smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)c1cc(N2CCN3CC[NH2+]C[C@@H]3C2)nc[nH+]1 ZINC001164391893 718828798 /nfs/dbraw/zinc/82/87/98/718828798.db2.gz MCMUBXNKUCCWOV-LLVKDONJSA-N 2 2 262.361 -0.364 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001076575171 805580005 /nfs/dbraw/zinc/58/00/05/805580005.db2.gz FAPJUQMTDMSPNR-NWDGAFQWSA-N 2 2 291.355 -0.790 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001076575171 805580014 /nfs/dbraw/zinc/58/00/14/805580014.db2.gz FAPJUQMTDMSPNR-NWDGAFQWSA-N 2 2 291.355 -0.790 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001076633413 805583618 /nfs/dbraw/zinc/58/36/18/805583618.db2.gz MXMJDXMLCAAUNS-SDDRHHMPSA-N 2 2 291.355 -0.710 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001076633413 805583625 /nfs/dbraw/zinc/58/36/25/805583625.db2.gz MXMJDXMLCAAUNS-SDDRHHMPSA-N 2 2 291.355 -0.710 20 0 CBADLP C[N@H+](CC(=O)N1CC[NH2+]CC1)[C@@H]1CCCCNC1=O ZINC000038031459 790322313 /nfs/dbraw/zinc/32/23/13/790322313.db2.gz BZTGGOQRTVACRY-LLVKDONJSA-N 2 2 268.361 -0.981 20 0 CBADLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)[C@@H]1CCCCNC1=O ZINC000038031459 790322330 /nfs/dbraw/zinc/32/23/30/790322330.db2.gz BZTGGOQRTVACRY-LLVKDONJSA-N 2 2 268.361 -0.981 20 0 CBADLP CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001076838913 805637132 /nfs/dbraw/zinc/63/71/32/805637132.db2.gz SAWZEEAIAFWWDA-JHJVBQTASA-N 2 2 285.388 -0.722 20 0 CBADLP CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001076838913 805637137 /nfs/dbraw/zinc/63/71/37/805637137.db2.gz SAWZEEAIAFWWDA-JHJVBQTASA-N 2 2 285.388 -0.722 20 0 CBADLP CCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001076838913 805637142 /nfs/dbraw/zinc/63/71/42/805637142.db2.gz SAWZEEAIAFWWDA-JHJVBQTASA-N 2 2 285.388 -0.722 20 0 CBADLP CCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001076838913 805637147 /nfs/dbraw/zinc/63/71/47/805637147.db2.gz SAWZEEAIAFWWDA-JHJVBQTASA-N 2 2 285.388 -0.722 20 0 CBADLP CNC(=O)[C@@H]1CCCC[N@@H+]1CC(=O)N1CC[NH2+]CC1 ZINC000042422461 790326171 /nfs/dbraw/zinc/32/61/71/790326171.db2.gz CNEMRCDYOVDXFF-NSHDSACASA-N 2 2 268.361 -0.981 20 0 CBADLP CNC(=O)[C@@H]1CCCC[N@H+]1CC(=O)N1CC[NH2+]CC1 ZINC000042422461 790326187 /nfs/dbraw/zinc/32/61/87/790326187.db2.gz CNEMRCDYOVDXFF-NSHDSACASA-N 2 2 268.361 -0.981 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](CC[NH3+])C1 ZINC000385236892 790539272 /nfs/dbraw/zinc/53/92/72/790539272.db2.gz JXPIOLKNQUQFJD-STQMWFEESA-N 3 2 259.394 -0.404 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](CC[NH3+])C1 ZINC000385236892 790539281 /nfs/dbraw/zinc/53/92/81/790539281.db2.gz JXPIOLKNQUQFJD-STQMWFEESA-N 3 2 259.394 -0.404 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000385236892 790539285 /nfs/dbraw/zinc/53/92/85/790539285.db2.gz JXPIOLKNQUQFJD-STQMWFEESA-N 3 2 259.394 -0.404 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000385236892 790539292 /nfs/dbraw/zinc/53/92/92/790539292.db2.gz JXPIOLKNQUQFJD-STQMWFEESA-N 3 2 259.394 -0.404 20 0 CBADLP CO[C@@H]1C[N@H+](C[C@@H](O)C[NH+]2CCCC2)C[C@@H]1OC ZINC000385345522 790540189 /nfs/dbraw/zinc/54/01/89/790540189.db2.gz CMEDHMQWXCCWIR-RWMBFGLXSA-N 2 2 258.362 -0.211 20 0 CBADLP CO[C@@H]1C[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C[C@@H]1OC ZINC000385345522 790540197 /nfs/dbraw/zinc/54/01/97/790540197.db2.gz CMEDHMQWXCCWIR-RWMBFGLXSA-N 2 2 258.362 -0.211 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](CC[NH3+])C1 ZINC000385236889 790541096 /nfs/dbraw/zinc/54/10/96/790541096.db2.gz JXPIOLKNQUQFJD-CHWSQXEVSA-N 3 2 259.394 -0.404 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](CC[NH3+])C1 ZINC000385236889 790541106 /nfs/dbraw/zinc/54/11/06/790541106.db2.gz JXPIOLKNQUQFJD-CHWSQXEVSA-N 3 2 259.394 -0.404 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000385236889 790541118 /nfs/dbraw/zinc/54/11/18/790541118.db2.gz JXPIOLKNQUQFJD-CHWSQXEVSA-N 3 2 259.394 -0.404 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000385236889 790541126 /nfs/dbraw/zinc/54/11/26/790541126.db2.gz JXPIOLKNQUQFJD-CHWSQXEVSA-N 3 2 259.394 -0.404 20 0 CBADLP CS(=O)(=O)N1CCC[C@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C1 ZINC000400206284 790603465 /nfs/dbraw/zinc/60/34/65/790603465.db2.gz HXVZZPJKUDQBKP-XNBXPENISA-N 2 2 299.440 -0.004 20 0 CBADLP C[C@@H]1C[NH+](CCN2CC[N@H+](C)[C@H](CO)C2)C[C@@H](C)O1 ZINC000687595324 790659420 /nfs/dbraw/zinc/65/94/20/790659420.db2.gz YWDHLEBVDQONEQ-MCIONIFRSA-N 2 2 271.405 -0.296 20 0 CBADLP C[C@@H]1C[NH+](CCN2CC[N@@H+](C)[C@H](CO)C2)C[C@@H](C)O1 ZINC000687595324 790659424 /nfs/dbraw/zinc/65/94/24/790659424.db2.gz YWDHLEBVDQONEQ-MCIONIFRSA-N 2 2 271.405 -0.296 20 0 CBADLP C[N@@H+]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1CO ZINC000687598767 790661340 /nfs/dbraw/zinc/66/13/40/790661340.db2.gz QIFPIEXLVBYCDF-CYBMUJFWSA-N 2 2 281.400 -0.003 20 0 CBADLP C[N@H+]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1CO ZINC000687598767 790661344 /nfs/dbraw/zinc/66/13/44/790661344.db2.gz QIFPIEXLVBYCDF-CYBMUJFWSA-N 2 2 281.400 -0.003 20 0 CBADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCN1CCCS1(=O)=O ZINC000695077275 790687429 /nfs/dbraw/zinc/68/74/29/790687429.db2.gz ZJFWIDVFVBTAPG-QWRGUYRKSA-N 2 2 261.391 -0.167 20 0 CBADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCN1CCCS1(=O)=O ZINC000695077275 790687432 /nfs/dbraw/zinc/68/74/32/790687432.db2.gz ZJFWIDVFVBTAPG-QWRGUYRKSA-N 2 2 261.391 -0.167 20 0 CBADLP C[C@H]1C[C@@H](N2CC[NH+](CC(=O)N(C)C)CC2)CC[NH2+]1 ZINC000700800033 790710913 /nfs/dbraw/zinc/71/09/13/790710913.db2.gz BTNOTLYAMRYHTN-STQMWFEESA-N 2 2 268.405 -0.167 20 0 CBADLP O[C@@H](CN1CCC([NH+]2CCC2)CC1)C[NH+]1CCOCC1 ZINC000700380287 790708148 /nfs/dbraw/zinc/70/81/48/790708148.db2.gz CYCVHZIJFWYKRY-HNNXBMFYSA-N 2 2 283.416 -0.150 20 0 CBADLP CCOC(=O)C[C@H](O)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000705629893 790727702 /nfs/dbraw/zinc/72/77/02/790727702.db2.gz QTHJZRZUWNZPSO-TUAOUCFPSA-N 2 2 256.346 -0.206 20 0 CBADLP CCOC(=O)C[C@H](O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000705629893 790727711 /nfs/dbraw/zinc/72/77/11/790727711.db2.gz QTHJZRZUWNZPSO-TUAOUCFPSA-N 2 2 256.346 -0.206 20 0 CBADLP CCOC(=O)C[C@H](O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000705629893 790727721 /nfs/dbraw/zinc/72/77/21/790727721.db2.gz QTHJZRZUWNZPSO-TUAOUCFPSA-N 2 2 256.346 -0.206 20 0 CBADLP CCOC(=O)C[C@H](O)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000705629893 790727731 /nfs/dbraw/zinc/72/77/31/790727731.db2.gz QTHJZRZUWNZPSO-TUAOUCFPSA-N 2 2 256.346 -0.206 20 0 CBADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C1CC(CC(N)=O)C1 ZINC000718523242 790760466 /nfs/dbraw/zinc/76/04/66/790760466.db2.gz FOXNSDWSGIQHKW-YYJSSNLHSA-N 2 2 255.362 -0.003 20 0 CBADLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCC(=O)N1CC[NH2+]CC1 ZINC000720514014 790765817 /nfs/dbraw/zinc/76/58/17/790765817.db2.gz SMMDJDAQNPJWNI-ZIAGYGMSSA-N 3 2 280.416 -0.023 20 0 CBADLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCC(=O)N1CC[NH2+]CC1 ZINC000720514014 790765824 /nfs/dbraw/zinc/76/58/24/790765824.db2.gz SMMDJDAQNPJWNI-ZIAGYGMSSA-N 3 2 280.416 -0.023 20 0 CBADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2CCC(=O)N1CC[NH2+]CC1 ZINC000720514014 790765830 /nfs/dbraw/zinc/76/58/30/790765830.db2.gz SMMDJDAQNPJWNI-ZIAGYGMSSA-N 3 2 280.416 -0.023 20 0 CBADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2CCC(=O)N1CC[NH2+]CC1 ZINC000720514014 790765838 /nfs/dbraw/zinc/76/58/38/790765838.db2.gz SMMDJDAQNPJWNI-ZIAGYGMSSA-N 3 2 280.416 -0.023 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000721011366 790776145 /nfs/dbraw/zinc/77/61/45/790776145.db2.gz BRMBXZDLKLYABE-RNJOBUHISA-N 2 2 267.373 -0.321 20 0 CBADLP CC(=O)N(C)CC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000721904864 790784998 /nfs/dbraw/zinc/78/49/98/790784998.db2.gz XOHCTGAPBVGOAQ-UHFFFAOYSA-N 2 2 256.350 -0.996 20 0 CBADLP C[NH+](C)CCOCCNC(=O)C[C@@H]([NH3+])C(F)F ZINC000724743303 790810494 /nfs/dbraw/zinc/81/04/94/790810494.db2.gz ZXCJJLBLYNDALQ-MRVPVSSYSA-N 2 2 253.293 -0.337 20 0 CBADLP OCC[NH2+]C1CC[NH+](CCO[C@H]2CCOC2)CC1 ZINC000724938186 790814179 /nfs/dbraw/zinc/81/41/79/790814179.db2.gz WGJNPXKKWLQZBJ-ZDUSSCGKSA-N 2 2 258.362 -0.162 20 0 CBADLP C[N@H+](CCN1C(=O)CCC1=O)C1(C[NH3+])CCOCC1 ZINC000725001631 790815415 /nfs/dbraw/zinc/81/54/15/790815415.db2.gz KEJGNTIULNHARW-UHFFFAOYSA-N 2 2 269.345 -0.425 20 0 CBADLP C[N@@H+](CCN1C(=O)CCC1=O)C1(C[NH3+])CCOCC1 ZINC000725001631 790815424 /nfs/dbraw/zinc/81/54/24/790815424.db2.gz KEJGNTIULNHARW-UHFFFAOYSA-N 2 2 269.345 -0.425 20 0 CBADLP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000828634929 790880630 /nfs/dbraw/zinc/88/06/30/790880630.db2.gz BCRDUADOINVCLW-WFASDCNBSA-N 2 2 299.415 -0.643 20 0 CBADLP C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000828634929 790880644 /nfs/dbraw/zinc/88/06/44/790880644.db2.gz BCRDUADOINVCLW-WFASDCNBSA-N 2 2 299.415 -0.643 20 0 CBADLP C[C@H](CC(=O)NC[C@]1(CO)COCC[NH2+]1)n1cc[nH+]c1 ZINC000828697026 790887127 /nfs/dbraw/zinc/88/71/27/790887127.db2.gz CWPWPWNLJBOSOK-YPMHNXCESA-N 2 2 282.344 -0.699 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCO ZINC001021473362 790941164 /nfs/dbraw/zinc/94/11/64/790941164.db2.gz PGDDDLZHUUHZLW-YHWZYXNKSA-N 2 2 278.356 -0.013 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO ZINC001021473362 790941174 /nfs/dbraw/zinc/94/11/74/790941174.db2.gz PGDDDLZHUUHZLW-YHWZYXNKSA-N 2 2 278.356 -0.013 20 0 CBADLP NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001022423604 791012569 /nfs/dbraw/zinc/01/25/69/791012569.db2.gz COAIGJWTVLOQTO-AOOOYVTPSA-N 2 2 287.323 -0.330 20 0 CBADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCO)C1 ZINC001022492434 791016686 /nfs/dbraw/zinc/01/66/86/791016686.db2.gz DHHKRBOYOJFMBR-MJBXVCDLSA-N 2 2 299.415 -0.284 20 0 CBADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCO)C1 ZINC001022492434 791016697 /nfs/dbraw/zinc/01/66/97/791016697.db2.gz DHHKRBOYOJFMBR-MJBXVCDLSA-N 2 2 299.415 -0.284 20 0 CBADLP CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001077260388 805706607 /nfs/dbraw/zinc/70/66/07/805706607.db2.gz FEHUQXAGLPWCCI-CYZMBNFOSA-N 2 2 278.356 -0.373 20 0 CBADLP CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001077260388 805706610 /nfs/dbraw/zinc/70/66/10/805706610.db2.gz FEHUQXAGLPWCCI-CYZMBNFOSA-N 2 2 278.356 -0.373 20 0 CBADLP CC[C@@H](F)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001078010952 805822663 /nfs/dbraw/zinc/82/26/63/805822663.db2.gz TZXFEMZVUQTHND-JHJVBQTASA-N 2 2 299.390 -0.008 20 0 CBADLP CC[C@@H](F)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001078010952 805822673 /nfs/dbraw/zinc/82/26/73/805822673.db2.gz TZXFEMZVUQTHND-JHJVBQTASA-N 2 2 299.390 -0.008 20 0 CBADLP CCOCC[NH2+]CCNC(=O)Cc1c[nH+]cn1C ZINC001147915666 814925647 /nfs/dbraw/zinc/92/56/47/814925647.db2.gz OCFYKTFJLJVJRX-UHFFFAOYSA-N 2 2 254.334 -0.295 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@H+](CCCF)C[C@H]1O ZINC001078080994 805830274 /nfs/dbraw/zinc/83/02/74/805830274.db2.gz NSMNGFUREKHFHA-VXGBXAGGSA-N 2 2 284.335 -0.218 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@@H+](CCCF)C[C@H]1O ZINC001078080994 805830282 /nfs/dbraw/zinc/83/02/82/805830282.db2.gz NSMNGFUREKHFHA-VXGBXAGGSA-N 2 2 284.335 -0.218 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@H+](CC2CC2)C[C@H]1O ZINC001078080826 805830499 /nfs/dbraw/zinc/83/04/99/805830499.db2.gz GYBFSVWPABQSLH-CHWSQXEVSA-N 2 2 278.356 -0.168 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@H]1O ZINC001078080826 805830510 /nfs/dbraw/zinc/83/05/10/805830510.db2.gz GYBFSVWPABQSLH-CHWSQXEVSA-N 2 2 278.356 -0.168 20 0 CBADLP C[C@@H](CCNC(=O)CC[NH+](C)C)NC(=O)Cn1cc[nH+]c1 ZINC001078201190 805855535 /nfs/dbraw/zinc/85/55/35/805855535.db2.gz LBOYQQWXMSVTCJ-LBPRGKRZSA-N 2 2 295.387 -0.154 20 0 CBADLP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCO)C[C@H]1O ZINC001078229271 805858900 /nfs/dbraw/zinc/85/89/00/805858900.db2.gz AEOBPPWQHRCSQQ-FRRDWIJNSA-N 2 2 285.388 -0.986 20 0 CBADLP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCO)C[C@H]1O ZINC001078229271 805858909 /nfs/dbraw/zinc/85/89/09/805858909.db2.gz AEOBPPWQHRCSQQ-FRRDWIJNSA-N 2 2 285.388 -0.986 20 0 CBADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001078229271 805858918 /nfs/dbraw/zinc/85/89/18/805858918.db2.gz AEOBPPWQHRCSQQ-FRRDWIJNSA-N 2 2 285.388 -0.986 20 0 CBADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001078229271 805858925 /nfs/dbraw/zinc/85/89/25/805858925.db2.gz AEOBPPWQHRCSQQ-FRRDWIJNSA-N 2 2 285.388 -0.986 20 0 CBADLP CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001078272415 805865564 /nfs/dbraw/zinc/86/55/64/805865564.db2.gz VYBVYWJBSQFACR-VXGBXAGGSA-N 2 2 266.345 -0.156 20 0 CBADLP CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001078272415 805865573 /nfs/dbraw/zinc/86/55/73/805865573.db2.gz VYBVYWJBSQFACR-VXGBXAGGSA-N 2 2 266.345 -0.156 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1C[C@H]([NH2+]CCO)C12CCC2 ZINC001078761478 805890669 /nfs/dbraw/zinc/89/06/69/805890669.db2.gz MKUWFFFCUYNDPC-WDEREUQCSA-N 2 2 278.356 -0.039 20 0 CBADLP C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC001079494910 805921599 /nfs/dbraw/zinc/92/15/99/805921599.db2.gz SAFUOWWUSMFYKY-UPJWGTAASA-N 2 2 296.415 -0.395 20 0 CBADLP C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC001079494910 805921603 /nfs/dbraw/zinc/92/16/03/805921603.db2.gz SAFUOWWUSMFYKY-UPJWGTAASA-N 2 2 296.415 -0.395 20 0 CBADLP C[C@@H]1C[NH+](CC(=O)N(C)C)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001079494910 805921607 /nfs/dbraw/zinc/92/16/07/805921607.db2.gz SAFUOWWUSMFYKY-UPJWGTAASA-N 2 2 296.415 -0.395 20 0 CBADLP C[C@@H]1C[NH+](CC(=O)N(C)C)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC001079494910 805921610 /nfs/dbraw/zinc/92/16/10/805921610.db2.gz SAFUOWWUSMFYKY-UPJWGTAASA-N 2 2 296.415 -0.395 20 0 CBADLP C[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001079991814 805954628 /nfs/dbraw/zinc/95/46/28/805954628.db2.gz SRDNFNGVKROAFT-JHJVBQTASA-N 2 2 292.383 -0.126 20 0 CBADLP C[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001079991814 805954636 /nfs/dbraw/zinc/95/46/36/805954636.db2.gz SRDNFNGVKROAFT-JHJVBQTASA-N 2 2 292.383 -0.126 20 0 CBADLP C[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001079991813 805955233 /nfs/dbraw/zinc/95/52/33/805955233.db2.gz SRDNFNGVKROAFT-FRRDWIJNSA-N 2 2 292.383 -0.126 20 0 CBADLP C[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001079991813 805955240 /nfs/dbraw/zinc/95/52/40/805955240.db2.gz SRDNFNGVKROAFT-FRRDWIJNSA-N 2 2 292.383 -0.126 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001080941242 806016874 /nfs/dbraw/zinc/01/68/74/806016874.db2.gz XZNIIBIOFWTRKB-GRYCIOLGSA-N 2 2 282.388 -0.608 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001080941242 806016881 /nfs/dbraw/zinc/01/68/81/806016881.db2.gz XZNIIBIOFWTRKB-GRYCIOLGSA-N 2 2 282.388 -0.608 20 0 CBADLP C[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001081037122 806023435 /nfs/dbraw/zinc/02/34/35/806023435.db2.gz XLTFSOMHSKFNHE-IJLUTSLNSA-N 2 2 291.355 -0.792 20 0 CBADLP C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001081037122 806023444 /nfs/dbraw/zinc/02/34/44/806023444.db2.gz XLTFSOMHSKFNHE-IJLUTSLNSA-N 2 2 291.355 -0.792 20 0 CBADLP C[C@@H]1C[N@H+](CCCO)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001081037870 806023650 /nfs/dbraw/zinc/02/36/50/806023650.db2.gz CLTDLBOYKYDLTM-VXGBXAGGSA-N 2 2 266.345 -0.298 20 0 CBADLP C[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001081037870 806023653 /nfs/dbraw/zinc/02/36/53/806023653.db2.gz CLTDLBOYKYDLTM-VXGBXAGGSA-N 2 2 266.345 -0.298 20 0 CBADLP CO[C@@H]1C[N@H+](C[C@@H](C)O)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001082327415 806164242 /nfs/dbraw/zinc/16/42/42/806164242.db2.gz SCPQIMRGWGEHCJ-RAIGVLPGSA-N 2 2 296.371 -0.841 20 0 CBADLP CO[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001082327415 806164247 /nfs/dbraw/zinc/16/42/47/806164247.db2.gz SCPQIMRGWGEHCJ-RAIGVLPGSA-N 2 2 296.371 -0.841 20 0 CBADLP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCO)C[C@H]1OC ZINC001082384751 806171008 /nfs/dbraw/zinc/17/10/08/806171008.db2.gz KIZUYFLMLPYALW-HZSPNIEDSA-N 2 2 299.415 -0.332 20 0 CBADLP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCO)C[C@H]1OC ZINC001082384751 806171014 /nfs/dbraw/zinc/17/10/14/806171014.db2.gz KIZUYFLMLPYALW-HZSPNIEDSA-N 2 2 299.415 -0.332 20 0 CBADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1OC ZINC001082384751 806171016 /nfs/dbraw/zinc/17/10/16/806171016.db2.gz KIZUYFLMLPYALW-HZSPNIEDSA-N 2 2 299.415 -0.332 20 0 CBADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1OC ZINC001082384751 806171021 /nfs/dbraw/zinc/17/10/21/806171021.db2.gz KIZUYFLMLPYALW-HZSPNIEDSA-N 2 2 299.415 -0.332 20 0 CBADLP CO[C@@H]1C[N@H+](C[C@H](C)O)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001082395000 806172532 /nfs/dbraw/zinc/17/25/32/806172532.db2.gz QKKSEHLUKYNPOG-QJPTWQEYSA-N 2 2 282.344 -0.921 20 0 CBADLP CO[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001082395000 806172537 /nfs/dbraw/zinc/17/25/37/806172537.db2.gz QKKSEHLUKYNPOG-QJPTWQEYSA-N 2 2 282.344 -0.921 20 0 CBADLP C[C@H]([NH2+][C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C)C(N)=O ZINC001082549593 806186785 /nfs/dbraw/zinc/18/67/85/806186785.db2.gz MHISWPHIPRFCMJ-JFGNBEQYSA-N 2 2 293.371 -0.347 20 0 CBADLP C[C@H]([NH2+][C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C)C(N)=O ZINC001082549593 806186788 /nfs/dbraw/zinc/18/67/88/806186788.db2.gz MHISWPHIPRFCMJ-JFGNBEQYSA-N 2 2 293.371 -0.347 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@H]1[NH2+]CCO ZINC001082604251 806188331 /nfs/dbraw/zinc/18/83/31/806188331.db2.gz JFSKXCPEPVGCBE-JHJVBQTASA-N 2 2 292.383 -0.126 20 0 CBADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+][C@H]1CCNC1=O ZINC001082766705 806193590 /nfs/dbraw/zinc/19/35/90/806193590.db2.gz SUUWUIFXFAPVDW-ADEWGFFLSA-N 2 2 291.355 -0.723 20 0 CBADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH2+][C@H]1CCNC1=O ZINC001082823189 806194703 /nfs/dbraw/zinc/19/47/03/806194703.db2.gz QKVGZTJRUAUGLI-OUAUKWLOSA-N 2 2 291.355 -0.723 20 0 CBADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+][C@H]1CCNC1=O ZINC001082958052 806198618 /nfs/dbraw/zinc/19/86/18/806198618.db2.gz YWLFLICYVBVWJC-GRYCIOLGSA-N 2 2 291.355 -0.792 20 0 CBADLP CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@H]2C1 ZINC001083035567 806216680 /nfs/dbraw/zinc/21/66/80/806216680.db2.gz VMWQNVUBVQUJLR-XQQFMLRXSA-N 2 2 283.372 -0.752 20 0 CBADLP CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@H]2C1 ZINC001083035567 806216685 /nfs/dbraw/zinc/21/66/85/806216685.db2.gz VMWQNVUBVQUJLR-XQQFMLRXSA-N 2 2 283.372 -0.752 20 0 CBADLP CC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3C[N@H+](C)CCO3)[C@H]2C1 ZINC001083035567 806216694 /nfs/dbraw/zinc/21/66/94/806216694.db2.gz VMWQNVUBVQUJLR-XQQFMLRXSA-N 2 2 283.372 -0.752 20 0 CBADLP CC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)[C@H]2C1 ZINC001083035567 806216699 /nfs/dbraw/zinc/21/66/99/806216699.db2.gz VMWQNVUBVQUJLR-XQQFMLRXSA-N 2 2 283.372 -0.752 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001083143961 806231031 /nfs/dbraw/zinc/23/10/31/806231031.db2.gz JSBHLDJNQZLFEO-QWHCGFSZSA-N 2 2 294.355 -0.905 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001083143961 806231037 /nfs/dbraw/zinc/23/10/37/806231037.db2.gz JSBHLDJNQZLFEO-QWHCGFSZSA-N 2 2 294.355 -0.905 20 0 CBADLP COCC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3c[nH+]c[nH]3)[C@H]2C1 ZINC001083206552 806239582 /nfs/dbraw/zinc/23/95/82/806239582.db2.gz HMNJICUKMOVASR-QWHCGFSZSA-N 2 2 294.355 -0.490 20 0 CBADLP COCC[N@H+]1C[C@H]2OCCN(C(=O)Cc3c[nH+]c[nH]3)[C@H]2C1 ZINC001083206552 806239588 /nfs/dbraw/zinc/23/95/88/806239588.db2.gz HMNJICUKMOVASR-QWHCGFSZSA-N 2 2 294.355 -0.490 20 0 CBADLP CCCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@@H](O)C1 ZINC001083385575 806297392 /nfs/dbraw/zinc/29/73/92/806297392.db2.gz SAWZEEAIAFWWDA-FRRDWIJNSA-N 2 2 285.388 -0.722 20 0 CBADLP CCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@@H](O)C1 ZINC001083385575 806297400 /nfs/dbraw/zinc/29/74/00/806297400.db2.gz SAWZEEAIAFWWDA-FRRDWIJNSA-N 2 2 285.388 -0.722 20 0 CBADLP CCCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)[C@@H](O)C1 ZINC001083385575 806297409 /nfs/dbraw/zinc/29/74/09/806297409.db2.gz SAWZEEAIAFWWDA-FRRDWIJNSA-N 2 2 285.388 -0.722 20 0 CBADLP CCCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)[C@@H](O)C1 ZINC001083385575 806297417 /nfs/dbraw/zinc/29/74/17/806297417.db2.gz SAWZEEAIAFWWDA-FRRDWIJNSA-N 2 2 285.388 -0.722 20 0 CBADLP CC(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@@H](O)C1 ZINC001083385663 806297736 /nfs/dbraw/zinc/29/77/36/806297736.db2.gz VCBSZYHTGDRFBU-AGIUHOORSA-N 2 2 285.388 -0.866 20 0 CBADLP CC(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@@H](O)C1 ZINC001083385663 806297741 /nfs/dbraw/zinc/29/77/41/806297741.db2.gz VCBSZYHTGDRFBU-AGIUHOORSA-N 2 2 285.388 -0.866 20 0 CBADLP CC(C)C[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)[C@@H](O)C1 ZINC001083385663 806297746 /nfs/dbraw/zinc/29/77/46/806297746.db2.gz VCBSZYHTGDRFBU-AGIUHOORSA-N 2 2 285.388 -0.866 20 0 CBADLP CC(C)C[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@@H](O)C1 ZINC001083385663 806297751 /nfs/dbraw/zinc/29/77/51/806297751.db2.gz VCBSZYHTGDRFBU-AGIUHOORSA-N 2 2 285.388 -0.866 20 0 CBADLP CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)[C@@H](O)C1 ZINC001083581659 806373895 /nfs/dbraw/zinc/37/38/95/806373895.db2.gz FJTPERBNHNSIMY-TUAOUCFPSA-N 2 2 278.356 -0.373 20 0 CBADLP CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)[C@@H](O)C1 ZINC001083581659 806373905 /nfs/dbraw/zinc/37/39/05/806373905.db2.gz FJTPERBNHNSIMY-TUAOUCFPSA-N 2 2 278.356 -0.373 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@H+](CC2CC2)C[C@@H]1O ZINC001083954450 806467720 /nfs/dbraw/zinc/46/77/20/806467720.db2.gz ZWLGONGPCQQXSW-OLZOCXBDSA-N 2 2 278.356 -0.466 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1O ZINC001083954450 806467723 /nfs/dbraw/zinc/46/77/23/806467723.db2.gz ZWLGONGPCQQXSW-OLZOCXBDSA-N 2 2 278.356 -0.466 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@H+](CC2CC2)C[C@@H]1O ZINC001083998630 806472438 /nfs/dbraw/zinc/47/24/38/806472438.db2.gz GYBFSVWPABQSLH-OLZOCXBDSA-N 2 2 278.356 -0.168 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1O ZINC001083998630 806472445 /nfs/dbraw/zinc/47/24/45/806472445.db2.gz GYBFSVWPABQSLH-OLZOCXBDSA-N 2 2 278.356 -0.168 20 0 CBADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOC)C[C@@H]1O ZINC001084088281 806487653 /nfs/dbraw/zinc/48/76/53/806487653.db2.gz ZNKUHLHZASTAES-MCIONIFRSA-N 2 2 299.415 -0.332 20 0 CBADLP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOC)C[C@@H]1O ZINC001084088281 806487658 /nfs/dbraw/zinc/48/76/58/806487658.db2.gz ZNKUHLHZASTAES-MCIONIFRSA-N 2 2 299.415 -0.332 20 0 CBADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCOC)C[C@@H]1O ZINC001084088281 806487663 /nfs/dbraw/zinc/48/76/63/806487663.db2.gz ZNKUHLHZASTAES-MCIONIFRSA-N 2 2 299.415 -0.332 20 0 CBADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCOC)C[C@@H]1O ZINC001084088281 806487665 /nfs/dbraw/zinc/48/76/65/806487665.db2.gz ZNKUHLHZASTAES-MCIONIFRSA-N 2 2 299.415 -0.332 20 0 CBADLP CCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001084115463 806492445 /nfs/dbraw/zinc/49/24/45/806492445.db2.gz RVLDUCYZFVWWCN-MNOVXSKESA-N 2 2 252.318 -0.546 20 0 CBADLP CCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001084115463 806492451 /nfs/dbraw/zinc/49/24/51/806492451.db2.gz RVLDUCYZFVWWCN-MNOVXSKESA-N 2 2 252.318 -0.546 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001084831589 806539470 /nfs/dbraw/zinc/53/94/70/806539470.db2.gz RLXPQAKTMLVEEH-CHWSQXEVSA-N 2 2 294.399 -0.639 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001084831589 806539474 /nfs/dbraw/zinc/53/94/74/806539474.db2.gz RLXPQAKTMLVEEH-CHWSQXEVSA-N 2 2 294.399 -0.639 20 0 CBADLP NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001085345893 806553805 /nfs/dbraw/zinc/55/38/05/806553805.db2.gz WAZMEKIGYZGDEJ-GHMZBOCLSA-N 2 2 279.344 -0.546 20 0 CBADLP COCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001085667207 806591139 /nfs/dbraw/zinc/59/11/39/806591139.db2.gz CQCMQCMZOCDXLZ-MGPQQGTHSA-N 2 2 299.415 -0.115 20 0 CBADLP COCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001085667207 806591144 /nfs/dbraw/zinc/59/11/44/806591144.db2.gz CQCMQCMZOCDXLZ-MGPQQGTHSA-N 2 2 299.415 -0.115 20 0 CBADLP COCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001085667207 806591151 /nfs/dbraw/zinc/59/11/51/806591151.db2.gz CQCMQCMZOCDXLZ-MGPQQGTHSA-N 2 2 299.415 -0.115 20 0 CBADLP COCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001085667207 806591158 /nfs/dbraw/zinc/59/11/58/806591158.db2.gz CQCMQCMZOCDXLZ-MGPQQGTHSA-N 2 2 299.415 -0.115 20 0 CBADLP CN(C[C@H]1CC[N@@H+]1CCO)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001085681595 806594040 /nfs/dbraw/zinc/59/40/40/806594040.db2.gz AWRAGCKQZXBWBV-GXTWGEPZSA-N 2 2 292.383 -0.030 20 0 CBADLP CN(C[C@H]1CC[N@H+]1CCO)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001085681595 806594046 /nfs/dbraw/zinc/59/40/46/806594046.db2.gz AWRAGCKQZXBWBV-GXTWGEPZSA-N 2 2 292.383 -0.030 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001085799117 806611247 /nfs/dbraw/zinc/61/12/47/806611247.db2.gz KOMYRNKNDQNZHP-ZDUSSCGKSA-N 2 2 296.415 -0.393 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001085799117 806611253 /nfs/dbraw/zinc/61/12/53/806611253.db2.gz KOMYRNKNDQNZHP-ZDUSSCGKSA-N 2 2 296.415 -0.393 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)N(C)C[C@@H]2CC[NH+]2CCO)C1 ZINC001085982271 806629489 /nfs/dbraw/zinc/62/94/89/806629489.db2.gz GNCQNAIIFYBVGC-QWHCGFSZSA-N 2 2 285.388 -0.768 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)N(C)C[C@@H]2CC[NH+]2CCO)C1 ZINC001085982271 806629496 /nfs/dbraw/zinc/62/94/96/806629496.db2.gz GNCQNAIIFYBVGC-QWHCGFSZSA-N 2 2 285.388 -0.768 20 0 CBADLP CC[NH+]1CCO[C@@H](C(=O)N(C)C[C@@H]2CC[N@@H+]2CCO)C1 ZINC001085982271 806629501 /nfs/dbraw/zinc/62/95/01/806629501.db2.gz GNCQNAIIFYBVGC-QWHCGFSZSA-N 2 2 285.388 -0.768 20 0 CBADLP CC[NH+]1CCO[C@@H](C(=O)N(C)C[C@@H]2CC[N@H+]2CCO)C1 ZINC001085982271 806629507 /nfs/dbraw/zinc/62/95/07/806629507.db2.gz GNCQNAIIFYBVGC-QWHCGFSZSA-N 2 2 285.388 -0.768 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)N(C)C[C@H]2CC[NH+]2CCO)C1 ZINC001085982269 806630311 /nfs/dbraw/zinc/63/03/11/806630311.db2.gz GNCQNAIIFYBVGC-CHWSQXEVSA-N 2 2 285.388 -0.768 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)N(C)C[C@H]2CC[NH+]2CCO)C1 ZINC001085982269 806630318 /nfs/dbraw/zinc/63/03/18/806630318.db2.gz GNCQNAIIFYBVGC-CHWSQXEVSA-N 2 2 285.388 -0.768 20 0 CBADLP CC[NH+]1CCO[C@@H](C(=O)N(C)C[C@H]2CC[N@@H+]2CCO)C1 ZINC001085982269 806630323 /nfs/dbraw/zinc/63/03/23/806630323.db2.gz GNCQNAIIFYBVGC-CHWSQXEVSA-N 2 2 285.388 -0.768 20 0 CBADLP CC[NH+]1CCO[C@@H](C(=O)N(C)C[C@H]2CC[N@H+]2CCO)C1 ZINC001085982269 806630330 /nfs/dbraw/zinc/63/03/30/806630330.db2.gz GNCQNAIIFYBVGC-CHWSQXEVSA-N 2 2 285.388 -0.768 20 0 CBADLP C[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001022889053 798863402 /nfs/dbraw/zinc/86/34/02/798863402.db2.gz XKGPPKAQYMMOLD-BBBLOLIVSA-N 2 2 252.318 -0.430 20 0 CBADLP Cn1nncc1C[NH2+][C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001022889344 798864136 /nfs/dbraw/zinc/86/41/36/798864136.db2.gz CUOHOCIPGFJOAI-AOOOYVTPSA-N 2 2 289.343 -0.482 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001022978141 798871947 /nfs/dbraw/zinc/87/19/47/798871947.db2.gz RKAOPRHSUPUKDR-JFGNBEQYSA-N 2 2 291.355 -0.912 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001023159230 798888432 /nfs/dbraw/zinc/88/84/32/798888432.db2.gz ULHAWMKUJQQADG-TXEJJXNPSA-N 2 2 291.355 -0.648 20 0 CBADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCC[NH+]2CC(N)=O)CC[N@@H+]1C ZINC001024446769 798938184 /nfs/dbraw/zinc/93/81/84/798938184.db2.gz IYTBYHIVQKLSAH-FRRDWIJNSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCC[NH+]2CC(N)=O)CC[N@H+]1C ZINC001024446769 798938189 /nfs/dbraw/zinc/93/81/89/798938189.db2.gz IYTBYHIVQKLSAH-FRRDWIJNSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCC[N@@H+]2CC(N)=O)CC[NH+]1C ZINC001024446769 798938193 /nfs/dbraw/zinc/93/81/93/798938193.db2.gz IYTBYHIVQKLSAH-FRRDWIJNSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCC[N@H+]2CC(N)=O)CC[NH+]1C ZINC001024446769 798938194 /nfs/dbraw/zinc/93/81/94/798938194.db2.gz IYTBYHIVQKLSAH-FRRDWIJNSA-N 2 2 296.415 -0.217 20 0 CBADLP NC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001024760949 798948300 /nfs/dbraw/zinc/94/83/00/798948300.db2.gz ZYMZQEXBROIKSZ-GFCCVEGCSA-N 2 2 294.399 -0.462 20 0 CBADLP NC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001024760949 798948304 /nfs/dbraw/zinc/94/83/04/798948304.db2.gz ZYMZQEXBROIKSZ-GFCCVEGCSA-N 2 2 294.399 -0.462 20 0 CBADLP NC(=O)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC001026365983 799002033 /nfs/dbraw/zinc/00/20/33/799002033.db2.gz DSDHBMJIRSDDAS-ZMLRMANQSA-N 2 2 291.355 -0.736 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001027091954 799031330 /nfs/dbraw/zinc/03/13/30/799031330.db2.gz XBRYKAMHVBWSGF-ZYHUDNBSSA-N 2 2 291.355 -0.721 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001027140314 799032664 /nfs/dbraw/zinc/03/26/64/799032664.db2.gz CLWJJBXSNXQBRZ-GHMZBOCLSA-N 2 2 291.355 -0.721 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001027244525 799033338 /nfs/dbraw/zinc/03/33/38/799033338.db2.gz FCKLDAJYXLIWSB-RYUDHWBXSA-N 2 2 291.355 -0.790 20 0 CBADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CC(N)=O ZINC001027917431 799093900 /nfs/dbraw/zinc/09/39/00/799093900.db2.gz AYYYUJNDFQPJEC-QWHCGFSZSA-N 2 2 296.415 -0.073 20 0 CBADLP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CC(N)=O ZINC001027917431 799093905 /nfs/dbraw/zinc/09/39/05/799093905.db2.gz AYYYUJNDFQPJEC-QWHCGFSZSA-N 2 2 296.415 -0.073 20 0 CBADLP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC(N)=O ZINC001027917431 799093912 /nfs/dbraw/zinc/09/39/12/799093912.db2.gz AYYYUJNDFQPJEC-QWHCGFSZSA-N 2 2 296.415 -0.073 20 0 CBADLP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC(N)=O ZINC001027917431 799093918 /nfs/dbraw/zinc/09/39/18/799093918.db2.gz AYYYUJNDFQPJEC-QWHCGFSZSA-N 2 2 296.415 -0.073 20 0 CBADLP O=C(NC[C@@H]1CC[N@@H+](CCO)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001028606846 799153778 /nfs/dbraw/zinc/15/37/78/799153778.db2.gz CQLVPMJGEMWELZ-QJPTWQEYSA-N 2 2 278.356 -0.056 20 0 CBADLP O=C(NC[C@@H]1CC[N@H+](CCO)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001028606846 799153781 /nfs/dbraw/zinc/15/37/81/799153781.db2.gz CQLVPMJGEMWELZ-QJPTWQEYSA-N 2 2 278.356 -0.056 20 0 CBADLP O=C(NC[C@@H]1CC[N@@H+](CCO)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001028606846 799153784 /nfs/dbraw/zinc/15/37/84/799153784.db2.gz CQLVPMJGEMWELZ-QJPTWQEYSA-N 2 2 278.356 -0.056 20 0 CBADLP O=C(NC[C@@H]1CC[N@H+](CCO)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001028606846 799153786 /nfs/dbraw/zinc/15/37/86/799153786.db2.gz CQLVPMJGEMWELZ-QJPTWQEYSA-N 2 2 278.356 -0.056 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3CCCO)C1 ZINC001029256854 799192964 /nfs/dbraw/zinc/19/29/64/799192964.db2.gz NVKXDPQHGXPCPG-HZSPNIEDSA-N 2 2 297.399 -0.625 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3CCCO)C1 ZINC001029256854 799192966 /nfs/dbraw/zinc/19/29/66/799192966.db2.gz NVKXDPQHGXPCPG-HZSPNIEDSA-N 2 2 297.399 -0.625 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CCCO)C1 ZINC001029256854 799192968 /nfs/dbraw/zinc/19/29/68/799192968.db2.gz NVKXDPQHGXPCPG-HZSPNIEDSA-N 2 2 297.399 -0.625 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCO)C1 ZINC001029256854 799192970 /nfs/dbraw/zinc/19/29/70/799192970.db2.gz NVKXDPQHGXPCPG-HZSPNIEDSA-N 2 2 297.399 -0.625 20 0 CBADLP COC[C@@H](C)[NH+]1CC(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001030160075 799251481 /nfs/dbraw/zinc/25/14/81/799251481.db2.gz AFMNAULKBMFMPN-PWSUYJOCSA-N 2 2 255.362 -0.084 20 0 CBADLP COC[C@@H](C)[NH+]1CC(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001030160075 799251485 /nfs/dbraw/zinc/25/14/85/799251485.db2.gz AFMNAULKBMFMPN-PWSUYJOCSA-N 2 2 255.362 -0.084 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)NC2C[NH+](CC[C@H]3CCOC3)C2)C1 ZINC001030185099 799260418 /nfs/dbraw/zinc/26/04/18/799260418.db2.gz ZMHHMLCQTRKGOJ-GXTWGEPZSA-N 2 2 297.399 -0.456 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)NC2C[NH+](CC[C@H]3CCOC3)C2)C1 ZINC001030185099 799260423 /nfs/dbraw/zinc/26/04/23/799260423.db2.gz ZMHHMLCQTRKGOJ-GXTWGEPZSA-N 2 2 297.399 -0.456 20 0 CBADLP C[C@@H](O)C[NH+]1CC(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001030323406 799297588 /nfs/dbraw/zinc/29/75/88/799297588.db2.gz LRKBYKWQGXKSQA-MFKMUULPSA-N 2 2 267.373 -0.491 20 0 CBADLP COCC[NH+]1CC(NC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001030345697 799301250 /nfs/dbraw/zinc/30/12/50/799301250.db2.gz GDXQVHKATUQBBO-STQMWFEESA-N 2 2 283.372 -0.704 20 0 CBADLP COCC[NH+]1CC(NC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001030345697 799301258 /nfs/dbraw/zinc/30/12/58/799301258.db2.gz GDXQVHKATUQBBO-STQMWFEESA-N 2 2 283.372 -0.704 20 0 CBADLP CC(C)C[N@@H+]1CC[C@@H](C(=O)NC2C[NH+](CCO)C2)C1 ZINC001030432156 799315527 /nfs/dbraw/zinc/31/55/27/799315527.db2.gz AREPQJRLZATCQT-GFCCVEGCSA-N 2 2 269.389 -0.243 20 0 CBADLP CC(C)C[N@H+]1CC[C@@H](C(=O)NC2C[NH+](CCO)C2)C1 ZINC001030432156 799315534 /nfs/dbraw/zinc/31/55/34/799315534.db2.gz AREPQJRLZATCQT-GFCCVEGCSA-N 2 2 269.389 -0.243 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2C[NH+](C[C@H]3CCOC3)C2)O1 ZINC001030516895 799329864 /nfs/dbraw/zinc/32/98/64/799329864.db2.gz MVOCSDGRLJEVAM-YRGRVCCFSA-N 2 2 297.399 -0.458 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2C[NH+](C[C@H]3CCOC3)C2)O1 ZINC001030516895 799329872 /nfs/dbraw/zinc/32/98/72/799329872.db2.gz MVOCSDGRLJEVAM-YRGRVCCFSA-N 2 2 297.399 -0.458 20 0 CBADLP C[C@H](O)C[NH+]1CC(NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001030705946 799365184 /nfs/dbraw/zinc/36/51/84/799365184.db2.gz QYMDKEAQARNZHY-BCEZMXFNSA-N 2 2 295.383 -0.969 20 0 CBADLP C[C@H](O)C[NH+]1CC(NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001030705946 799365188 /nfs/dbraw/zinc/36/51/88/799365188.db2.gz QYMDKEAQARNZHY-BCEZMXFNSA-N 2 2 295.383 -0.969 20 0 CBADLP COC[C@H](C)[NH+]1CC(NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001030839712 799394305 /nfs/dbraw/zinc/39/43/05/799394305.db2.gz QZYSVWVOHZCLKR-GXTWGEPZSA-N 2 2 299.415 -0.069 20 0 CBADLP COC[C@H](C)[NH+]1CC(NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001030839712 799394314 /nfs/dbraw/zinc/39/43/14/799394314.db2.gz QZYSVWVOHZCLKR-GXTWGEPZSA-N 2 2 299.415 -0.069 20 0 CBADLP C[C@H](O)C[NH+]1CC(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001030843899 799396184 /nfs/dbraw/zinc/39/61/84/799396184.db2.gz AANQPYCNSBSLBS-SRVKXCTJSA-N 2 2 269.389 -0.102 20 0 CBADLP C[C@H](O)C[NH+]1CC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001030843899 799396191 /nfs/dbraw/zinc/39/61/91/799396191.db2.gz AANQPYCNSBSLBS-SRVKXCTJSA-N 2 2 269.389 -0.102 20 0 CBADLP C[NH+]1CCC(C(=O)NC2C[NH+](CCCO)C2)CC1 ZINC001030892981 799405559 /nfs/dbraw/zinc/40/55/59/799405559.db2.gz NOTVWNGSVPXUPX-UHFFFAOYSA-N 2 2 255.362 -0.489 20 0 CBADLP C[C@@H]1CCC[N@@H+]1CC(=O)NC1C[NH+](CCCO)C1 ZINC001030955924 799416422 /nfs/dbraw/zinc/41/64/22/799416422.db2.gz OZQKDHBWIPBVSX-LLVKDONJSA-N 2 2 255.362 -0.347 20 0 CBADLP C[C@@H]1CCC[N@H+]1CC(=O)NC1C[NH+](CCCO)C1 ZINC001030955924 799416437 /nfs/dbraw/zinc/41/64/37/799416437.db2.gz OZQKDHBWIPBVSX-LLVKDONJSA-N 2 2 255.362 -0.347 20 0 CBADLP C[C@@H](O)C[NH+]1CC(NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001031083535 799436991 /nfs/dbraw/zinc/43/69/91/799436991.db2.gz LFFJCFXPQCVNER-LLVKDONJSA-N 2 2 295.387 -0.761 20 0 CBADLP C[C@H](O)C[NH+]1CC(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001031142546 799449871 /nfs/dbraw/zinc/44/98/71/799449871.db2.gz CFTJZYXYOPOBGR-LBPRGKRZSA-N 2 2 269.389 -0.101 20 0 CBADLP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NC2C[NH+](CCO)C2)C1 ZINC001031257415 799465413 /nfs/dbraw/zinc/46/54/13/799465413.db2.gz RERSVNAKSWJLOY-YPMHNXCESA-N 2 2 269.389 -0.101 20 0 CBADLP Cn1c[nH+]cc1CN1CC(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001031383715 799481368 /nfs/dbraw/zinc/48/13/68/799481368.db2.gz JSVQAIQEBFLMDF-NSHDSACASA-N 2 2 277.372 -0.328 20 0 CBADLP Cn1c[nH+]cc1CN1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001031383715 799481370 /nfs/dbraw/zinc/48/13/70/799481370.db2.gz JSVQAIQEBFLMDF-NSHDSACASA-N 2 2 277.372 -0.328 20 0 CBADLP CN(C)C(=O)C[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001031580545 799511772 /nfs/dbraw/zinc/51/17/72/799511772.db2.gz VTTHZZNGBHBBSZ-GFCCVEGCSA-N 2 2 282.388 -0.783 20 0 CBADLP CN(C)C(=O)C[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001031580545 799511776 /nfs/dbraw/zinc/51/17/76/799511776.db2.gz VTTHZZNGBHBBSZ-GFCCVEGCSA-N 2 2 282.388 -0.783 20 0 CBADLP CNC(=O)[C@H](C)[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001031585437 799513501 /nfs/dbraw/zinc/51/35/01/799513501.db2.gz XQPVSLHIWRLDCY-CMPLNLGQSA-N 2 2 282.388 -0.737 20 0 CBADLP CNC(=O)[C@H](C)[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001031585437 799513503 /nfs/dbraw/zinc/51/35/03/799513503.db2.gz XQPVSLHIWRLDCY-CMPLNLGQSA-N 2 2 282.388 -0.737 20 0 CBADLP CNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001031585439 799513876 /nfs/dbraw/zinc/51/38/76/799513876.db2.gz XQPVSLHIWRLDCY-PWSUYJOCSA-N 2 2 282.388 -0.737 20 0 CBADLP CNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001031585439 799513880 /nfs/dbraw/zinc/51/38/80/799513880.db2.gz XQPVSLHIWRLDCY-PWSUYJOCSA-N 2 2 282.388 -0.737 20 0 CBADLP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001031715117 799536980 /nfs/dbraw/zinc/53/69/80/799536980.db2.gz QFHNQDIAISYNDU-LBPRGKRZSA-N 2 2 282.388 -0.606 20 0 CBADLP CCC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001031715117 799536982 /nfs/dbraw/zinc/53/69/82/799536982.db2.gz QFHNQDIAISYNDU-LBPRGKRZSA-N 2 2 282.388 -0.606 20 0 CBADLP NC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC001031767127 799542031 /nfs/dbraw/zinc/54/20/31/799542031.db2.gz RPKPOUKBTFVIJZ-STQMWFEESA-N 2 2 294.399 -0.463 20 0 CBADLP NC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C1 ZINC001031767127 799542033 /nfs/dbraw/zinc/54/20/33/799542033.db2.gz RPKPOUKBTFVIJZ-STQMWFEESA-N 2 2 294.399 -0.463 20 0 CBADLP NC(=O)C[NH+]1CC(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC001031767126 799543055 /nfs/dbraw/zinc/54/30/55/799543055.db2.gz RPKPOUKBTFVIJZ-QWHCGFSZSA-N 2 2 294.399 -0.463 20 0 CBADLP NC(=O)C[NH+]1CC(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C1 ZINC001031767126 799543058 /nfs/dbraw/zinc/54/30/58/799543058.db2.gz RPKPOUKBTFVIJZ-QWHCGFSZSA-N 2 2 294.399 -0.463 20 0 CBADLP C[C@@H](O)C[NH+]1CC(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001031778026 799543613 /nfs/dbraw/zinc/54/36/13/799543613.db2.gz HDMXYQNLMRYUGI-YPMHNXCESA-N 2 2 292.383 -0.126 20 0 CBADLP NC(=O)C[NH+]1CC(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001032044723 799575095 /nfs/dbraw/zinc/57/50/95/799575095.db2.gz ZEVDNNHEWZTUQY-QWHCGFSZSA-N 2 2 294.399 -0.463 20 0 CBADLP NC(=O)C[NH+]1CC(CNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001032044723 799575097 /nfs/dbraw/zinc/57/50/97/799575097.db2.gz ZEVDNNHEWZTUQY-QWHCGFSZSA-N 2 2 294.399 -0.463 20 0 CBADLP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCC2C[NH+](CC(N)=O)C2)C1 ZINC001032128640 799583847 /nfs/dbraw/zinc/58/38/47/799583847.db2.gz IUXQNFNVJWHHQN-STQMWFEESA-N 2 2 296.415 -0.360 20 0 CBADLP CN(C)C(=O)C[NH+]1CC(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001032130357 799584512 /nfs/dbraw/zinc/58/45/12/799584512.db2.gz MQYRMWNXEIIUPK-UHFFFAOYSA-N 2 2 294.399 -0.782 20 0 CBADLP C[NH+](C)C1(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCO)CCC1 ZINC001032444017 799629384 /nfs/dbraw/zinc/62/93/84/799629384.db2.gz HOUWVDJMZFFTLN-RYUDHWBXSA-N 2 2 267.373 -0.252 20 0 CBADLP C[NH+](C)C1(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCO)CCC1 ZINC001032444017 799629387 /nfs/dbraw/zinc/62/93/87/799629387.db2.gz HOUWVDJMZFFTLN-RYUDHWBXSA-N 2 2 267.373 -0.252 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCO ZINC001032522065 799637923 /nfs/dbraw/zinc/63/79/23/799637923.db2.gz RLGHIFRODZIHDQ-STQMWFEESA-N 2 2 278.356 -0.141 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCCO ZINC001032522065 799637926 /nfs/dbraw/zinc/63/79/26/799637926.db2.gz RLGHIFRODZIHDQ-STQMWFEESA-N 2 2 278.356 -0.141 20 0 CBADLP C[C@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCn1cc[nH+]c1 ZINC001032550633 799639606 /nfs/dbraw/zinc/63/96/06/799639606.db2.gz BGWJZMWBLQVQFB-AVGNSLFASA-N 2 2 278.356 -0.061 20 0 CBADLP C[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCn1cc[nH+]c1 ZINC001032550633 799639607 /nfs/dbraw/zinc/63/96/07/799639607.db2.gz BGWJZMWBLQVQFB-AVGNSLFASA-N 2 2 278.356 -0.061 20 0 CBADLP C[C@@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1c[nH+]c[nH]1 ZINC001032651920 799652763 /nfs/dbraw/zinc/65/27/63/799652763.db2.gz IUXWBJBWSQTXHA-USWWRNFRSA-N 2 2 264.329 -0.382 20 0 CBADLP C[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1c[nH+]c[nH]1 ZINC001032651920 799652766 /nfs/dbraw/zinc/65/27/66/799652766.db2.gz IUXWBJBWSQTXHA-USWWRNFRSA-N 2 2 264.329 -0.382 20 0 CBADLP C[C@@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+]1CCOCC1 ZINC001032684457 799654808 /nfs/dbraw/zinc/65/48/08/799654808.db2.gz QPXLZPWSPZZTKK-RDBSUJKOSA-N 2 2 297.399 -0.625 20 0 CBADLP C[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+]1CCOCC1 ZINC001032684457 799654811 /nfs/dbraw/zinc/65/48/11/799654811.db2.gz QPXLZPWSPZZTKK-RDBSUJKOSA-N 2 2 297.399 -0.625 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[C@H]1C[N@H+]2CCO ZINC001032814852 799670464 /nfs/dbraw/zinc/67/04/64/799670464.db2.gz NHZBHOUABHTRMA-QWRGUYRKSA-N 2 2 250.302 -0.840 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCO ZINC001032814852 799670467 /nfs/dbraw/zinc/67/04/67/799670467.db2.gz NHZBHOUABHTRMA-QWRGUYRKSA-N 2 2 250.302 -0.840 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001032839648 799677654 /nfs/dbraw/zinc/67/76/54/799677654.db2.gz VJDXVQMDZBBDHE-TUAOUCFPSA-N 2 2 282.388 -0.465 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001032839648 799677659 /nfs/dbraw/zinc/67/76/59/799677659.db2.gz VJDXVQMDZBBDHE-TUAOUCFPSA-N 2 2 282.388 -0.465 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001032839648 799677665 /nfs/dbraw/zinc/67/76/65/799677665.db2.gz VJDXVQMDZBBDHE-TUAOUCFPSA-N 2 2 282.388 -0.465 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001032839648 799677673 /nfs/dbraw/zinc/67/76/73/799677673.db2.gz VJDXVQMDZBBDHE-TUAOUCFPSA-N 2 2 282.388 -0.465 20 0 CBADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+]([C@@H]2CCNC2=O)C1 ZINC001032839599 799678283 /nfs/dbraw/zinc/67/82/83/799678283.db2.gz DEEMBFYYFBEIAT-FRRDWIJNSA-N 2 2 294.399 -0.450 20 0 CBADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+]([C@@H]2CCNC2=O)C1 ZINC001032839599 799678285 /nfs/dbraw/zinc/67/82/85/799678285.db2.gz DEEMBFYYFBEIAT-FRRDWIJNSA-N 2 2 294.399 -0.450 20 0 CBADLP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001032839599 799678286 /nfs/dbraw/zinc/67/82/86/799678286.db2.gz DEEMBFYYFBEIAT-FRRDWIJNSA-N 2 2 294.399 -0.450 20 0 CBADLP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001032839599 799678287 /nfs/dbraw/zinc/67/82/87/799678287.db2.gz DEEMBFYYFBEIAT-FRRDWIJNSA-N 2 2 294.399 -0.450 20 0 CBADLP COCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001032978176 799699325 /nfs/dbraw/zinc/69/93/25/799699325.db2.gz XWMXYSQUPDMZJW-QWHCGFSZSA-N 2 2 285.388 -0.504 20 0 CBADLP COCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001032978176 799699317 /nfs/dbraw/zinc/69/93/17/799699317.db2.gz XWMXYSQUPDMZJW-QWHCGFSZSA-N 2 2 285.388 -0.504 20 0 CBADLP COCC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001032978176 799699321 /nfs/dbraw/zinc/69/93/21/799699321.db2.gz XWMXYSQUPDMZJW-QWHCGFSZSA-N 2 2 285.388 -0.504 20 0 CBADLP COCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001032978176 799699322 /nfs/dbraw/zinc/69/93/22/799699322.db2.gz XWMXYSQUPDMZJW-QWHCGFSZSA-N 2 2 285.388 -0.504 20 0 CBADLP CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033083146 799716169 /nfs/dbraw/zinc/71/61/69/799716169.db2.gz VZMMTRCYAOFOLM-CHWSQXEVSA-N 2 2 294.399 -0.654 20 0 CBADLP CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033083146 799716172 /nfs/dbraw/zinc/71/61/72/799716172.db2.gz VZMMTRCYAOFOLM-CHWSQXEVSA-N 2 2 294.399 -0.654 20 0 CBADLP CN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)[C@H]1CC[N@H+](CCO)C1 ZINC001033204645 799726607 /nfs/dbraw/zinc/72/66/07/799726607.db2.gz ZTFUCPASGVZSIJ-OCCSQVGLSA-N 2 2 292.383 -0.030 20 0 CBADLP CN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)[C@H]1CC[N@@H+](CCO)C1 ZINC001033204645 799726610 /nfs/dbraw/zinc/72/66/10/799726610.db2.gz ZTFUCPASGVZSIJ-OCCSQVGLSA-N 2 2 292.383 -0.030 20 0 CBADLP CN(C(=O)[C@H]1CCn2cc[nH+]c2C1)[C@H]1CC[N@H+](CCO)C1 ZINC001033213333 799727592 /nfs/dbraw/zinc/72/75/92/799727592.db2.gz ZUVYXAJKEWLHNK-STQMWFEESA-N 2 2 292.383 -0.030 20 0 CBADLP CN(C(=O)[C@H]1CCn2cc[nH+]c2C1)[C@H]1CC[N@@H+](CCO)C1 ZINC001033213333 799727596 /nfs/dbraw/zinc/72/75/96/799727596.db2.gz ZUVYXAJKEWLHNK-STQMWFEESA-N 2 2 292.383 -0.030 20 0 CBADLP CN(C(=O)c1cc(C[NH+](C)C)on1)[C@@H]1CC[N@H+](CCO)C1 ZINC001033219119 799727854 /nfs/dbraw/zinc/72/78/54/799727854.db2.gz FRVBMHWTRDRAEM-LLVKDONJSA-N 2 2 296.371 -0.125 20 0 CBADLP CN(C(=O)c1cc(C[NH+](C)C)on1)[C@@H]1CC[N@@H+](CCO)C1 ZINC001033219119 799727856 /nfs/dbraw/zinc/72/78/56/799727856.db2.gz FRVBMHWTRDRAEM-LLVKDONJSA-N 2 2 296.371 -0.125 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001033417689 799752905 /nfs/dbraw/zinc/75/29/05/799752905.db2.gz XHCZKDIIUYYIPX-STQMWFEESA-N 2 2 296.415 -0.251 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001033417689 799752910 /nfs/dbraw/zinc/75/29/10/799752910.db2.gz XHCZKDIIUYYIPX-STQMWFEESA-N 2 2 296.415 -0.251 20 0 CBADLP CNC(=O)C[NH+]1CC[C@H](N(C)C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001033417689 799752915 /nfs/dbraw/zinc/75/29/15/799752915.db2.gz XHCZKDIIUYYIPX-STQMWFEESA-N 2 2 296.415 -0.251 20 0 CBADLP CNC(=O)C[NH+]1CC[C@H](N(C)C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001033417689 799752917 /nfs/dbraw/zinc/75/29/17/799752917.db2.gz XHCZKDIIUYYIPX-STQMWFEESA-N 2 2 296.415 -0.251 20 0 CBADLP C[C@H](O)C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001033453593 799757776 /nfs/dbraw/zinc/75/77/76/799757776.db2.gz XKEUUNWMRRKMSE-CMPLNLGQSA-N 2 2 266.345 -0.134 20 0 CBADLP C[C@H](O)C[N@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001033453593 799757777 /nfs/dbraw/zinc/75/77/77/799757777.db2.gz XKEUUNWMRRKMSE-CMPLNLGQSA-N 2 2 266.345 -0.134 20 0 CBADLP CN(C(=O)Cc1c[nH+]cn1C)[C@H]1CC[N@H+](CCO)C1 ZINC001033595414 799769674 /nfs/dbraw/zinc/76/96/74/799769674.db2.gz SOKFGLARXYGSEH-NSHDSACASA-N 2 2 266.345 -0.512 20 0 CBADLP CN(C(=O)Cc1c[nH+]cn1C)[C@H]1CC[N@@H+](CCO)C1 ZINC001033595414 799769676 /nfs/dbraw/zinc/76/96/76/799769676.db2.gz SOKFGLARXYGSEH-NSHDSACASA-N 2 2 266.345 -0.512 20 0 CBADLP CN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033596398 799771694 /nfs/dbraw/zinc/77/16/94/799771694.db2.gz ZMKIWHFBRUDPTM-NSHDSACASA-N 2 2 280.372 -0.900 20 0 CBADLP CN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033596398 799771700 /nfs/dbraw/zinc/77/17/00/799771700.db2.gz ZMKIWHFBRUDPTM-NSHDSACASA-N 2 2 280.372 -0.900 20 0 CBADLP CN(C)C(=O)C[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033656891 799776470 /nfs/dbraw/zinc/77/64/70/799776470.db2.gz FWXXPZUNHIINBX-ZDUSSCGKSA-N 2 2 296.415 -0.297 20 0 CBADLP CN(C)C(=O)C[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033656891 799776474 /nfs/dbraw/zinc/77/64/74/799776474.db2.gz FWXXPZUNHIINBX-ZDUSSCGKSA-N 2 2 296.415 -0.297 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001033703782 799783172 /nfs/dbraw/zinc/78/31/72/799783172.db2.gz HQVUGJYDOWQBNJ-NEPJUHHUSA-N 2 2 293.371 -0.320 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001033703782 799783176 /nfs/dbraw/zinc/78/31/76/799783176.db2.gz HQVUGJYDOWQBNJ-NEPJUHHUSA-N 2 2 293.371 -0.320 20 0 CBADLP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001034041427 799805796 /nfs/dbraw/zinc/80/57/96/799805796.db2.gz DGOQVFAGDYUUPZ-VXGBXAGGSA-N 2 2 282.388 -0.654 20 0 CBADLP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001034041427 799805804 /nfs/dbraw/zinc/80/58/04/799805804.db2.gz DGOQVFAGDYUUPZ-VXGBXAGGSA-N 2 2 282.388 -0.654 20 0 CBADLP CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001034041427 799805811 /nfs/dbraw/zinc/80/58/11/799805811.db2.gz DGOQVFAGDYUUPZ-VXGBXAGGSA-N 2 2 282.388 -0.654 20 0 CBADLP CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001034041427 799805819 /nfs/dbraw/zinc/80/58/19/799805819.db2.gz DGOQVFAGDYUUPZ-VXGBXAGGSA-N 2 2 282.388 -0.654 20 0 CBADLP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001034041426 799806898 /nfs/dbraw/zinc/80/68/98/799806898.db2.gz DGOQVFAGDYUUPZ-RYUDHWBXSA-N 2 2 282.388 -0.654 20 0 CBADLP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001034041426 799806907 /nfs/dbraw/zinc/80/69/07/799806907.db2.gz DGOQVFAGDYUUPZ-RYUDHWBXSA-N 2 2 282.388 -0.654 20 0 CBADLP CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](CC(N)=O)C1 ZINC001034041426 799806916 /nfs/dbraw/zinc/80/69/16/799806916.db2.gz DGOQVFAGDYUUPZ-RYUDHWBXSA-N 2 2 282.388 -0.654 20 0 CBADLP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](CC(N)=O)C1 ZINC001034041426 799806922 /nfs/dbraw/zinc/80/69/22/799806922.db2.gz DGOQVFAGDYUUPZ-RYUDHWBXSA-N 2 2 282.388 -0.654 20 0 CBADLP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1CCCC[NH+](CC(N)=O)C1 ZINC001034400366 799838770 /nfs/dbraw/zinc/83/87/70/799838770.db2.gz XMUMOBLKEYGFKA-OLZOCXBDSA-N 2 2 296.415 -0.073 20 0 CBADLP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CCCC[NH+](CC(N)=O)C1 ZINC001034400366 799838773 /nfs/dbraw/zinc/83/87/73/799838773.db2.gz XMUMOBLKEYGFKA-OLZOCXBDSA-N 2 2 296.415 -0.073 20 0 CBADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CCCC[N@H+](CC(N)=O)C1 ZINC001034400366 799838778 /nfs/dbraw/zinc/83/87/78/799838778.db2.gz XMUMOBLKEYGFKA-OLZOCXBDSA-N 2 2 296.415 -0.073 20 0 CBADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CCCC[N@@H+](CC(N)=O)C1 ZINC001034400366 799838782 /nfs/dbraw/zinc/83/87/82/799838782.db2.gz XMUMOBLKEYGFKA-OLZOCXBDSA-N 2 2 296.415 -0.073 20 0 CBADLP C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC1)C(N)=O ZINC001034801188 799857053 /nfs/dbraw/zinc/85/70/53/799857053.db2.gz HCTMTZZSJKTIOC-IJLUTSLNSA-N 2 2 293.371 -0.226 20 0 CBADLP COCC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001035312128 799886835 /nfs/dbraw/zinc/88/68/35/799886835.db2.gz GNBMSXJZKLFOMP-OLZOCXBDSA-N 2 2 285.388 -0.456 20 0 CBADLP COCC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001035312128 799886840 /nfs/dbraw/zinc/88/68/40/799886840.db2.gz GNBMSXJZKLFOMP-OLZOCXBDSA-N 2 2 285.388 -0.456 20 0 CBADLP COCC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001035312128 799886845 /nfs/dbraw/zinc/88/68/45/799886845.db2.gz GNBMSXJZKLFOMP-OLZOCXBDSA-N 2 2 285.388 -0.456 20 0 CBADLP COCC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001035312128 799886851 /nfs/dbraw/zinc/88/68/51/799886851.db2.gz GNBMSXJZKLFOMP-OLZOCXBDSA-N 2 2 285.388 -0.456 20 0 CBADLP COCC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001035312130 799886930 /nfs/dbraw/zinc/88/69/30/799886930.db2.gz GNBMSXJZKLFOMP-STQMWFEESA-N 2 2 285.388 -0.456 20 0 CBADLP COCC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001035312130 799886936 /nfs/dbraw/zinc/88/69/36/799886936.db2.gz GNBMSXJZKLFOMP-STQMWFEESA-N 2 2 285.388 -0.456 20 0 CBADLP COCC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001035312130 799886941 /nfs/dbraw/zinc/88/69/41/799886941.db2.gz GNBMSXJZKLFOMP-STQMWFEESA-N 2 2 285.388 -0.456 20 0 CBADLP COCC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001035312130 799886944 /nfs/dbraw/zinc/88/69/44/799886944.db2.gz GNBMSXJZKLFOMP-STQMWFEESA-N 2 2 285.388 -0.456 20 0 CBADLP CCC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001035329099 799892754 /nfs/dbraw/zinc/89/27/54/799892754.db2.gz ZKLDPKIKUNACEX-QWHCGFSZSA-N 2 2 285.388 -0.456 20 0 CBADLP CCC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001035329099 799892761 /nfs/dbraw/zinc/89/27/61/799892761.db2.gz ZKLDPKIKUNACEX-QWHCGFSZSA-N 2 2 285.388 -0.456 20 0 CBADLP CCC[NH+]1CCO[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001035329099 799892769 /nfs/dbraw/zinc/89/27/69/799892769.db2.gz ZKLDPKIKUNACEX-QWHCGFSZSA-N 2 2 285.388 -0.456 20 0 CBADLP CCC[NH+]1CCO[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001035329099 799892775 /nfs/dbraw/zinc/89/27/75/799892775.db2.gz ZKLDPKIKUNACEX-QWHCGFSZSA-N 2 2 285.388 -0.456 20 0 CBADLP CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001035481293 799932124 /nfs/dbraw/zinc/93/21/24/799932124.db2.gz GDPLAZYHPGETEQ-KGLIPLIRSA-N 2 2 299.415 -0.068 20 0 CBADLP CC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001035481293 799932128 /nfs/dbraw/zinc/93/21/28/799932128.db2.gz GDPLAZYHPGETEQ-KGLIPLIRSA-N 2 2 299.415 -0.068 20 0 CBADLP CC[NH+]1CCO[C@H](CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001035481293 799932132 /nfs/dbraw/zinc/93/21/32/799932132.db2.gz GDPLAZYHPGETEQ-KGLIPLIRSA-N 2 2 299.415 -0.068 20 0 CBADLP CC[NH+]1CCO[C@H](CNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001035481293 799932135 /nfs/dbraw/zinc/93/21/35/799932135.db2.gz GDPLAZYHPGETEQ-KGLIPLIRSA-N 2 2 299.415 -0.068 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001035607399 799950771 /nfs/dbraw/zinc/95/07/71/799950771.db2.gz QRYNOIWWANWQHD-ZIAGYGMSSA-N 2 2 299.415 -0.068 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001035607399 799950777 /nfs/dbraw/zinc/95/07/77/799950777.db2.gz QRYNOIWWANWQHD-ZIAGYGMSSA-N 2 2 299.415 -0.068 20 0 CBADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001035607399 799950782 /nfs/dbraw/zinc/95/07/82/799950782.db2.gz QRYNOIWWANWQHD-ZIAGYGMSSA-N 2 2 299.415 -0.068 20 0 CBADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001035607399 799950788 /nfs/dbraw/zinc/95/07/88/799950788.db2.gz QRYNOIWWANWQHD-ZIAGYGMSSA-N 2 2 299.415 -0.068 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001035607398 799951044 /nfs/dbraw/zinc/95/10/44/799951044.db2.gz QRYNOIWWANWQHD-UONOGXRCSA-N 2 2 299.415 -0.068 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001035607398 799951050 /nfs/dbraw/zinc/95/10/50/799951050.db2.gz QRYNOIWWANWQHD-UONOGXRCSA-N 2 2 299.415 -0.068 20 0 CBADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001035607398 799951058 /nfs/dbraw/zinc/95/10/58/799951058.db2.gz QRYNOIWWANWQHD-UONOGXRCSA-N 2 2 299.415 -0.068 20 0 CBADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001035607398 799951064 /nfs/dbraw/zinc/95/10/64/799951064.db2.gz QRYNOIWWANWQHD-UONOGXRCSA-N 2 2 299.415 -0.068 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N2CCC3(C[NH+](CCO)C3)CC2)C1 ZINC001035679265 799957273 /nfs/dbraw/zinc/95/72/73/799957273.db2.gz HRNRSRMHOHJCPL-ZDUSSCGKSA-N 2 2 297.399 -0.766 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N2CCC3(C[NH+](CCO)C3)CC2)C1 ZINC001035679265 799957277 /nfs/dbraw/zinc/95/72/77/799957277.db2.gz HRNRSRMHOHJCPL-ZDUSSCGKSA-N 2 2 297.399 -0.766 20 0 CBADLP C[C@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@H]1[NH2+]CC(N)=O ZINC001036122400 799977957 /nfs/dbraw/zinc/97/79/57/799977957.db2.gz DMGWBOXKAKQMKI-NWDGAFQWSA-N 2 2 293.371 -0.415 20 0 CBADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@@H]1[NH2+]CCO ZINC001036241338 799984273 /nfs/dbraw/zinc/98/42/73/799984273.db2.gz RGIZNSXXYKHBNB-MNOVXSKESA-N 2 2 266.345 -0.229 20 0 CBADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[C@H]1[NH2+]CCO ZINC001036265140 799985525 /nfs/dbraw/zinc/98/55/25/799985525.db2.gz KOSJEFPBCZSABQ-DGCLKSJQSA-N 2 2 280.372 -0.219 20 0 CBADLP C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[C@H]1[NH2+]CCO ZINC001036265148 799985697 /nfs/dbraw/zinc/98/56/97/799985697.db2.gz KOSJEFPBCZSABQ-WCQYABFASA-N 2 2 280.372 -0.219 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2[C@@H](CC[N@H+]2CCO)C1 ZINC001036910818 800012925 /nfs/dbraw/zinc/01/29/25/800012925.db2.gz ZZMKNTQCRJDMIQ-STQMWFEESA-N 2 2 278.356 -0.202 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2[C@@H](CC[N@@H+]2CCO)C1 ZINC001036910818 800012931 /nfs/dbraw/zinc/01/29/31/800012931.db2.gz ZZMKNTQCRJDMIQ-STQMWFEESA-N 2 2 278.356 -0.202 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H]2[C@@H](CC[N@H+]2CCO)C1 ZINC001036910817 800013505 /nfs/dbraw/zinc/01/35/05/800013505.db2.gz ZZMKNTQCRJDMIQ-QWHCGFSZSA-N 2 2 278.356 -0.202 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H]2[C@@H](CC[N@@H+]2CCO)C1 ZINC001036910817 800013508 /nfs/dbraw/zinc/01/35/08/800013508.db2.gz ZZMKNTQCRJDMIQ-QWHCGFSZSA-N 2 2 278.356 -0.202 20 0 CBADLP COCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001038134127 800059856 /nfs/dbraw/zinc/05/98/56/800059856.db2.gz DYQMZZSZBNSYQB-NWDGAFQWSA-N 2 2 271.361 -0.846 20 0 CBADLP COCC[N@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001038134127 800059864 /nfs/dbraw/zinc/05/98/64/800059864.db2.gz DYQMZZSZBNSYQB-NWDGAFQWSA-N 2 2 271.361 -0.846 20 0 CBADLP COCC[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001038134127 800059872 /nfs/dbraw/zinc/05/98/72/800059872.db2.gz DYQMZZSZBNSYQB-NWDGAFQWSA-N 2 2 271.361 -0.846 20 0 CBADLP COCC[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001038134127 800059886 /nfs/dbraw/zinc/05/98/86/800059886.db2.gz DYQMZZSZBNSYQB-NWDGAFQWSA-N 2 2 271.361 -0.846 20 0 CBADLP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CCO ZINC001038406161 800108017 /nfs/dbraw/zinc/10/80/17/800108017.db2.gz AULQUJGHEPIUPN-NWDGAFQWSA-N 2 2 255.362 -0.347 20 0 CBADLP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CCO ZINC001038406161 800108019 /nfs/dbraw/zinc/10/80/19/800108019.db2.gz AULQUJGHEPIUPN-NWDGAFQWSA-N 2 2 255.362 -0.347 20 0 CBADLP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCO ZINC001038406161 800108024 /nfs/dbraw/zinc/10/80/24/800108024.db2.gz AULQUJGHEPIUPN-NWDGAFQWSA-N 2 2 255.362 -0.347 20 0 CBADLP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1CCO ZINC001038406161 800108029 /nfs/dbraw/zinc/10/80/29/800108029.db2.gz AULQUJGHEPIUPN-NWDGAFQWSA-N 2 2 255.362 -0.347 20 0 CBADLP COCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001038622845 801227574 /nfs/dbraw/zinc/22/75/74/801227574.db2.gz AUIOMGJJHKEQKX-KBPBESRZSA-N 2 2 299.415 -0.068 20 0 CBADLP COCC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001038622845 801227580 /nfs/dbraw/zinc/22/75/80/801227580.db2.gz AUIOMGJJHKEQKX-KBPBESRZSA-N 2 2 299.415 -0.068 20 0 CBADLP COCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001038622845 801227583 /nfs/dbraw/zinc/22/75/83/801227583.db2.gz AUIOMGJJHKEQKX-KBPBESRZSA-N 2 2 299.415 -0.068 20 0 CBADLP COCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001038622845 801227590 /nfs/dbraw/zinc/22/75/90/801227590.db2.gz AUIOMGJJHKEQKX-KBPBESRZSA-N 2 2 299.415 -0.068 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001038662155 801234912 /nfs/dbraw/zinc/23/49/12/801234912.db2.gz JMYYPZFLTLRIIR-DGCLKSJQSA-N 2 2 296.415 -0.347 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+]1CC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001038662155 801234914 /nfs/dbraw/zinc/23/49/14/801234914.db2.gz JMYYPZFLTLRIIR-DGCLKSJQSA-N 2 2 296.415 -0.347 20 0 CBADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCO ZINC001038716592 801242023 /nfs/dbraw/zinc/24/20/23/801242023.db2.gz NPEQWPIBXMATEK-QJPTWQEYSA-N 2 2 278.356 -0.294 20 0 CBADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CCO ZINC001038716592 801242027 /nfs/dbraw/zinc/24/20/27/801242027.db2.gz NPEQWPIBXMATEK-QJPTWQEYSA-N 2 2 278.356 -0.294 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]2CC[N@H+](CCO)[C@@H]2C1 ZINC001042314613 801456227 /nfs/dbraw/zinc/45/62/27/801456227.db2.gz UAEQDOKRHBBBOW-GXTWGEPZSA-N 2 2 292.383 -0.122 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]2CC[N@@H+](CCO)[C@@H]2C1 ZINC001042314613 801456239 /nfs/dbraw/zinc/45/62/39/801456239.db2.gz UAEQDOKRHBBBOW-GXTWGEPZSA-N 2 2 292.383 -0.122 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2CC[N@H+](CCO)[C@@H]2C1 ZINC001042314616 801459063 /nfs/dbraw/zinc/45/90/63/801459063.db2.gz UAEQDOKRHBBBOW-TZMCWYRMSA-N 2 2 292.383 -0.122 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2CC[N@@H+](CCO)[C@@H]2C1 ZINC001042314616 801459067 /nfs/dbraw/zinc/45/90/67/801459067.db2.gz UAEQDOKRHBBBOW-TZMCWYRMSA-N 2 2 292.383 -0.122 20 0 CBADLP C[C@@H]1[C@H](C(=O)N(C)C2C[NH+](CCO)C2)CC[N@@H+]1C ZINC001042746284 801515872 /nfs/dbraw/zinc/51/58/72/801515872.db2.gz QQUFFIQPNZWYHO-ZYHUDNBSSA-N 2 2 255.362 -0.539 20 0 CBADLP C[C@@H]1[C@H](C(=O)N(C)C2C[NH+](CCO)C2)CC[N@H+]1C ZINC001042746284 801515876 /nfs/dbraw/zinc/51/58/76/801515876.db2.gz QQUFFIQPNZWYHO-ZYHUDNBSSA-N 2 2 255.362 -0.539 20 0 CBADLP COCC[NH+]1CC(N(C)C(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001042755912 801516616 /nfs/dbraw/zinc/51/66/16/801516616.db2.gz GUZKYJKPHKSDLG-JSGCOSHPSA-N 2 2 297.399 -0.361 20 0 CBADLP COCC[NH+]1CC(N(C)C(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001042755912 801516619 /nfs/dbraw/zinc/51/66/19/801516619.db2.gz GUZKYJKPHKSDLG-JSGCOSHPSA-N 2 2 297.399 -0.361 20 0 CBADLP COCC[NH+]1CC(N(C)C(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001042755913 801516785 /nfs/dbraw/zinc/51/67/85/801516785.db2.gz GUZKYJKPHKSDLG-OCCSQVGLSA-N 2 2 297.399 -0.361 20 0 CBADLP COCC[NH+]1CC(N(C)C(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001042755913 801516788 /nfs/dbraw/zinc/51/67/88/801516788.db2.gz GUZKYJKPHKSDLG-OCCSQVGLSA-N 2 2 297.399 -0.361 20 0 CBADLP CC[NH+]1CC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001043070094 801538344 /nfs/dbraw/zinc/53/83/44/801538344.db2.gz JCOSGKOPEHMPAF-ZYHUDNBSSA-N 2 2 255.362 -0.132 20 0 CBADLP CC[NH+]1CC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001043070094 801538347 /nfs/dbraw/zinc/53/83/47/801538347.db2.gz JCOSGKOPEHMPAF-ZYHUDNBSSA-N 2 2 255.362 -0.132 20 0 CBADLP C[C@H](O)C[NH+]1CC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001043071435 801539445 /nfs/dbraw/zinc/53/94/45/801539445.db2.gz YLCQPHZJWRIZHY-DMDPSCGWSA-N 2 2 285.388 -0.771 20 0 CBADLP C[C@H](O)C[NH+]1CC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001043071435 801539452 /nfs/dbraw/zinc/53/94/52/801539452.db2.gz YLCQPHZJWRIZHY-DMDPSCGWSA-N 2 2 285.388 -0.771 20 0 CBADLP C[C@@H](O)C[NH+]1CC(N(C)C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001043869647 801597677 /nfs/dbraw/zinc/59/76/77/801597677.db2.gz MEKLRKUMYKMJNQ-VXGBXAGGSA-N 2 2 269.389 -0.006 20 0 CBADLP C[C@@H](O)C[NH+]1CC(N(C)C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001043869647 801597687 /nfs/dbraw/zinc/59/76/87/801597687.db2.gz MEKLRKUMYKMJNQ-VXGBXAGGSA-N 2 2 269.389 -0.006 20 0 CBADLP C[C@H](O)C[NH+]1CC(N(C)C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001043869646 801598126 /nfs/dbraw/zinc/59/81/26/801598126.db2.gz MEKLRKUMYKMJNQ-RYUDHWBXSA-N 2 2 269.389 -0.006 20 0 CBADLP C[C@H](O)C[NH+]1CC(N(C)C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001043869646 801598132 /nfs/dbraw/zinc/59/81/32/801598132.db2.gz MEKLRKUMYKMJNQ-RYUDHWBXSA-N 2 2 269.389 -0.006 20 0 CBADLP C[C@H](O)C[NH+]1CC(N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001043875796 801599698 /nfs/dbraw/zinc/59/96/98/801599698.db2.gz NFHCVPUFKLRHFA-NEPJUHHUSA-N 2 2 269.389 -0.148 20 0 CBADLP C[C@H](O)C[NH+]1CC(N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001043875796 801599710 /nfs/dbraw/zinc/59/97/10/801599710.db2.gz NFHCVPUFKLRHFA-NEPJUHHUSA-N 2 2 269.389 -0.148 20 0 CBADLP CN(C(=O)CC1CC[NH+](C)CC1)C1C[NH+](CCO)C1 ZINC001044005696 801609565 /nfs/dbraw/zinc/60/95/65/801609565.db2.gz YNLNKLOTMPGMJY-UHFFFAOYSA-N 2 2 269.389 -0.147 20 0 CBADLP COCC[NH+]1CC(N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001044190990 801628028 /nfs/dbraw/zinc/62/80/28/801628028.db2.gz ITVYAKNGGCXGIS-UHFFFAOYSA-N 2 2 267.373 -0.129 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N(C)C1C[NH+](CCO)C1 ZINC001044299366 801638934 /nfs/dbraw/zinc/63/89/34/801638934.db2.gz CLCBZZRSCSXRDT-UHFFFAOYSA-N 2 2 252.318 -0.674 20 0 CBADLP C[C@H]1C[C@@H]([NH2+]CC(N)=O)CCN1C(=O)CCn1cc[nH+]c1 ZINC001044694151 801663479 /nfs/dbraw/zinc/66/34/79/801663479.db2.gz PBITVXMZKSCCQQ-RYUDHWBXSA-N 2 2 293.371 -0.272 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]([NH2+]CC(N)=O)C[C@@H]1C ZINC001044844115 801672929 /nfs/dbraw/zinc/67/29/29/801672929.db2.gz YPRJRMKCWHLVRO-GXSJLCMTSA-N 2 2 293.371 -0.285 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@H]1C[NH2+][C@H]1CCNC1=O ZINC001045218610 801689316 /nfs/dbraw/zinc/68/93/16/801689316.db2.gz UKTMGGRLTYTMNI-RYUDHWBXSA-N 2 2 291.355 -0.579 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CCC[C@H]1C[NH2+][C@@H]1CCNC1=O ZINC001045329285 801692608 /nfs/dbraw/zinc/69/26/08/801692608.db2.gz FQPBGNKUGPYZPL-NWDGAFQWSA-N 2 2 291.355 -0.648 20 0 CBADLP CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001046218852 801741721 /nfs/dbraw/zinc/74/17/21/801741721.db2.gz LWRRUXXRRONLPG-AAEUAGOBSA-N 2 2 255.362 -0.083 20 0 CBADLP CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001046218852 801741727 /nfs/dbraw/zinc/74/17/27/801741727.db2.gz LWRRUXXRRONLPG-AAEUAGOBSA-N 2 2 255.362 -0.083 20 0 CBADLP CC[NH+]1CC[C@](C)(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001046218852 801741732 /nfs/dbraw/zinc/74/17/32/801741732.db2.gz LWRRUXXRRONLPG-AAEUAGOBSA-N 2 2 255.362 -0.083 20 0 CBADLP CC[NH+]1CC[C@](C)(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001046218852 801741737 /nfs/dbraw/zinc/74/17/37/801741737.db2.gz LWRRUXXRRONLPG-AAEUAGOBSA-N 2 2 255.362 -0.083 20 0 CBADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@]1(C)CC[NH+](CC(N)=O)C1 ZINC001046315004 801752752 /nfs/dbraw/zinc/75/27/52/801752752.db2.gz HPUZVKDAZNZZRU-WFASDCNBSA-N 2 2 296.415 -0.075 20 0 CBADLP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@]1(C)CC[NH+](CC(N)=O)C1 ZINC001046315004 801752756 /nfs/dbraw/zinc/75/27/56/801752756.db2.gz HPUZVKDAZNZZRU-WFASDCNBSA-N 2 2 296.415 -0.075 20 0 CBADLP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@]1(C)CC[N@H+](CC(N)=O)C1 ZINC001046315004 801752760 /nfs/dbraw/zinc/75/27/60/801752760.db2.gz HPUZVKDAZNZZRU-WFASDCNBSA-N 2 2 296.415 -0.075 20 0 CBADLP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](CC(N)=O)C1 ZINC001046315004 801752763 /nfs/dbraw/zinc/75/27/63/801752763.db2.gz HPUZVKDAZNZZRU-WFASDCNBSA-N 2 2 296.415 -0.075 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCO)C2 ZINC001047171665 801809119 /nfs/dbraw/zinc/80/91/19/801809119.db2.gz SIVFZYZRCKMZMD-SRVKXCTJSA-N 2 2 278.356 -0.086 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCO)C2 ZINC001047171665 801809128 /nfs/dbraw/zinc/80/91/28/801809128.db2.gz SIVFZYZRCKMZMD-SRVKXCTJSA-N 2 2 278.356 -0.086 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCO)C2 ZINC001047181296 801809981 /nfs/dbraw/zinc/80/99/81/801809981.db2.gz JKKLDQXDCVYBPH-AVGNSLFASA-N 2 2 292.383 -0.076 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCO)C2 ZINC001047181296 801809989 /nfs/dbraw/zinc/80/99/89/801809989.db2.gz JKKLDQXDCVYBPH-AVGNSLFASA-N 2 2 292.383 -0.076 20 0 CBADLP CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@H]1C[N@H+](CCF)C[C@@H]1O ZINC001047381178 801859963 /nfs/dbraw/zinc/85/99/63/801859963.db2.gz GAPITNLYNNRAIV-RDBSUJKOSA-N 2 2 299.390 -0.199 20 0 CBADLP CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001047381178 801859967 /nfs/dbraw/zinc/85/99/67/801859967.db2.gz GAPITNLYNNRAIV-RDBSUJKOSA-N 2 2 299.390 -0.199 20 0 CBADLP COCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001047429684 801869547 /nfs/dbraw/zinc/86/95/47/801869547.db2.gz ZLLLWADEOVVLFI-RDBSUJKOSA-N 2 2 299.415 -0.379 20 0 CBADLP COCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001047429684 801869555 /nfs/dbraw/zinc/86/95/55/801869555.db2.gz ZLLLWADEOVVLFI-RDBSUJKOSA-N 2 2 299.415 -0.379 20 0 CBADLP COCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001047429684 801869562 /nfs/dbraw/zinc/86/95/62/801869562.db2.gz ZLLLWADEOVVLFI-RDBSUJKOSA-N 2 2 299.415 -0.379 20 0 CBADLP COCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001047429684 801869566 /nfs/dbraw/zinc/86/95/66/801869566.db2.gz ZLLLWADEOVVLFI-RDBSUJKOSA-N 2 2 299.415 -0.379 20 0 CBADLP COCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001047627312 801916013 /nfs/dbraw/zinc/91/60/13/801916013.db2.gz NQNFOKGSJBGDCP-STQMWFEESA-N 2 2 285.388 -0.768 20 0 CBADLP COCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001047627312 801916023 /nfs/dbraw/zinc/91/60/23/801916023.db2.gz NQNFOKGSJBGDCP-STQMWFEESA-N 2 2 285.388 -0.768 20 0 CBADLP C[C@@H](O)C[N@H+]1C[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2C1 ZINC001049131365 802001956 /nfs/dbraw/zinc/00/19/56/802001956.db2.gz JCPBRSSQZODKNC-UTUOFQBUSA-N 2 2 278.356 -0.277 20 0 CBADLP C[C@@H](O)C[N@@H+]1C[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2C1 ZINC001049131365 802001964 /nfs/dbraw/zinc/00/19/64/802001964.db2.gz JCPBRSSQZODKNC-UTUOFQBUSA-N 2 2 278.356 -0.277 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CC(N)=O ZINC001049367891 802015646 /nfs/dbraw/zinc/01/56/46/802015646.db2.gz BMFVLDFKZFLAGX-RWMBFGLXSA-N 2 2 294.399 -0.369 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CC(N)=O ZINC001049367891 802015649 /nfs/dbraw/zinc/01/56/49/802015649.db2.gz BMFVLDFKZFLAGX-RWMBFGLXSA-N 2 2 294.399 -0.369 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC(N)=O ZINC001049367891 802015656 /nfs/dbraw/zinc/01/56/56/802015656.db2.gz BMFVLDFKZFLAGX-RWMBFGLXSA-N 2 2 294.399 -0.369 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC(N)=O ZINC001049367891 802015662 /nfs/dbraw/zinc/01/56/62/802015662.db2.gz BMFVLDFKZFLAGX-RWMBFGLXSA-N 2 2 294.399 -0.369 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[NH+]3CCO)C1 ZINC001049391348 802018681 /nfs/dbraw/zinc/01/86/81/802018681.db2.gz KBCHTNMTEZCDLH-RDBSUJKOSA-N 2 2 297.399 -0.625 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[NH+]3CCO)C1 ZINC001049391348 802018690 /nfs/dbraw/zinc/01/86/90/802018690.db2.gz KBCHTNMTEZCDLH-RDBSUJKOSA-N 2 2 297.399 -0.625 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3CCO)C1 ZINC001049391348 802018698 /nfs/dbraw/zinc/01/86/98/802018698.db2.gz KBCHTNMTEZCDLH-RDBSUJKOSA-N 2 2 297.399 -0.625 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3CCO)C1 ZINC001049391348 802018705 /nfs/dbraw/zinc/01/87/05/802018705.db2.gz KBCHTNMTEZCDLH-RDBSUJKOSA-N 2 2 297.399 -0.625 20 0 CBADLP NC(=O)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC001049929755 802043399 /nfs/dbraw/zinc/04/33/99/802043399.db2.gz CGBKXQNJDRIFOL-NWDGAFQWSA-N 2 2 291.355 -0.566 20 0 CBADLP NC(=O)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC001049929755 802043402 /nfs/dbraw/zinc/04/34/02/802043402.db2.gz CGBKXQNJDRIFOL-NWDGAFQWSA-N 2 2 291.355 -0.566 20 0 CBADLP NC(=O)C[NH+]1CCC2(CN(C(=O)Cn3cc[nH+]c3)C2)CC1 ZINC001050773282 802072057 /nfs/dbraw/zinc/07/20/57/802072057.db2.gz IBLIQYSBUWZZDY-UHFFFAOYSA-N 2 2 291.355 -0.707 20 0 CBADLP CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001050988252 802103310 /nfs/dbraw/zinc/10/33/10/802103310.db2.gz ZOEZRPSCGBWXIG-MGPQQGTHSA-N 2 2 299.415 -0.068 20 0 CBADLP CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001050988252 802103314 /nfs/dbraw/zinc/10/33/14/802103314.db2.gz ZOEZRPSCGBWXIG-MGPQQGTHSA-N 2 2 299.415 -0.068 20 0 CBADLP CCC[NH+]1CCOC[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001050988252 802103316 /nfs/dbraw/zinc/10/33/16/802103316.db2.gz ZOEZRPSCGBWXIG-MGPQQGTHSA-N 2 2 299.415 -0.068 20 0 CBADLP CCC[NH+]1CCOC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001050988252 802103321 /nfs/dbraw/zinc/10/33/21/802103321.db2.gz ZOEZRPSCGBWXIG-MGPQQGTHSA-N 2 2 299.415 -0.068 20 0 CBADLP CC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001051245241 802130563 /nfs/dbraw/zinc/13/05/63/802130563.db2.gz KGMIFFNQSSLHDJ-NEPJUHHUSA-N 2 2 255.362 -0.225 20 0 CBADLP CC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001051245241 802130567 /nfs/dbraw/zinc/13/05/67/802130567.db2.gz KGMIFFNQSSLHDJ-NEPJUHHUSA-N 2 2 255.362 -0.225 20 0 CBADLP CC[NH+]1CCOC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001051245241 802130569 /nfs/dbraw/zinc/13/05/69/802130569.db2.gz KGMIFFNQSSLHDJ-NEPJUHHUSA-N 2 2 255.362 -0.225 20 0 CBADLP CC[NH+]1CCOC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001051245241 802130572 /nfs/dbraw/zinc/13/05/72/802130572.db2.gz KGMIFFNQSSLHDJ-NEPJUHHUSA-N 2 2 255.362 -0.225 20 0 CBADLP CC[NH+]1CC2(C1)CN(C(=O)[C@H]1CC[N@H+](C)C1)CCO2 ZINC001053530559 802265214 /nfs/dbraw/zinc/26/52/14/802265214.db2.gz AUBWUGKQJDYRPU-LBPRGKRZSA-N 2 2 267.373 -0.129 20 0 CBADLP CC[NH+]1CC2(C1)CN(C(=O)[C@H]1CC[N@@H+](C)C1)CCO2 ZINC001053530559 802265220 /nfs/dbraw/zinc/26/52/20/802265220.db2.gz AUBWUGKQJDYRPU-LBPRGKRZSA-N 2 2 267.373 -0.129 20 0 CBADLP CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)O2 ZINC001053585370 802269638 /nfs/dbraw/zinc/26/96/38/802269638.db2.gz FSEMSHDGVSWQAJ-CHWSQXEVSA-N 2 2 297.399 -0.314 20 0 CBADLP CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)O2 ZINC001053585370 802269644 /nfs/dbraw/zinc/26/96/44/802269644.db2.gz FSEMSHDGVSWQAJ-CHWSQXEVSA-N 2 2 297.399 -0.314 20 0 CBADLP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2COC3(C[NH+](CCO)C3)C2)C1 ZINC001053926148 802311644 /nfs/dbraw/zinc/31/16/44/802311644.db2.gz XAWGLVNXNVCGHK-STQMWFEESA-N 2 2 297.399 -0.720 20 0 CBADLP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2COC3(C[NH+](CCO)C3)C2)C1 ZINC001053926148 802311651 /nfs/dbraw/zinc/31/16/51/802311651.db2.gz XAWGLVNXNVCGHK-STQMWFEESA-N 2 2 297.399 -0.720 20 0 CBADLP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1COC2(C[NH+](CCO)C2)C1 ZINC001053927253 802312589 /nfs/dbraw/zinc/31/25/89/802312589.db2.gz WLZVBCSBOSXBOC-STQMWFEESA-N 2 2 297.399 -0.578 20 0 CBADLP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1COC2(C[NH+](CCO)C2)C1 ZINC001053927253 802312595 /nfs/dbraw/zinc/31/25/95/802312595.db2.gz WLZVBCSBOSXBOC-STQMWFEESA-N 2 2 297.399 -0.578 20 0 CBADLP C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1[NH2+]CC(N)=O ZINC001054726949 802366933 /nfs/dbraw/zinc/36/69/33/802366933.db2.gz YVXONQKDFRRTAR-GXSJLCMTSA-N 2 2 279.344 -0.736 20 0 CBADLP C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1[NH2+]CC(N)=O ZINC001054726949 802366938 /nfs/dbraw/zinc/36/69/38/802366938.db2.gz YVXONQKDFRRTAR-GXSJLCMTSA-N 2 2 279.344 -0.736 20 0 CBADLP C[C@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1[NH2+]CCO ZINC001054927661 802377981 /nfs/dbraw/zinc/37/79/81/802377981.db2.gz MIYVMQONDHCKAG-NWDGAFQWSA-N 2 2 280.372 -0.219 20 0 CBADLP CC(=O)NC1CC[NH+](CCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001055596209 802399923 /nfs/dbraw/zinc/39/99/23/802399923.db2.gz XTTWEMSRBCXOSF-UHFFFAOYSA-N 2 2 293.371 -0.400 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC001117405365 812399601 /nfs/dbraw/zinc/39/96/01/812399601.db2.gz AUEXMAOCNNKFGI-LBPRGKRZSA-N 2 2 252.318 -0.855 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC001117405365 812399609 /nfs/dbraw/zinc/39/96/09/812399609.db2.gz AUEXMAOCNNKFGI-LBPRGKRZSA-N 2 2 252.318 -0.855 20 0 CBADLP Cc1noc(C[NH2+]CCNC(=O)CC[NH+](C)C)n1 ZINC001133294310 814237754 /nfs/dbraw/zinc/23/77/54/814237754.db2.gz BWCDAQWVUQHMOP-UHFFFAOYSA-N 2 2 255.322 -0.464 20 0 CBADLP COCc1noc(C[NH2+]CCNC(=O)CC[NH+](C)C)n1 ZINC001133294448 814237767 /nfs/dbraw/zinc/23/77/67/814237767.db2.gz JNNANIBQLPLCDW-UHFFFAOYSA-N 2 2 285.348 -0.627 20 0 CBADLP [NH3+]CC1(NC(=O)C[N@@H+]2CCc3sccc3C2)COC1 ZINC001142224071 814703935 /nfs/dbraw/zinc/70/39/35/814703935.db2.gz YWYODJNFLBUYHC-UHFFFAOYSA-N 2 2 281.381 -0.050 20 0 CBADLP [NH3+]CC1(NC(=O)C[N@H+]2CCc3sccc3C2)COC1 ZINC001142224071 814703943 /nfs/dbraw/zinc/70/39/43/814703943.db2.gz YWYODJNFLBUYHC-UHFFFAOYSA-N 2 2 281.381 -0.050 20 0 CBADLP CCC[N@H+](C)CC(=O)NCC[NH2+]Cc1nnnn1C1CC1 ZINC001148638395 814954985 /nfs/dbraw/zinc/95/49/85/814954985.db2.gz GVLVEZXRJGULPO-UHFFFAOYSA-N 2 2 295.391 -0.444 20 0 CBADLP CCC[N@@H+](C)CC(=O)NCC[NH2+]Cc1nnnn1C1CC1 ZINC001148638395 814954993 /nfs/dbraw/zinc/95/49/93/814954993.db2.gz GVLVEZXRJGULPO-UHFFFAOYSA-N 2 2 295.391 -0.444 20 0 CBADLP C[C@@H](C(=O)NC[C@H]1C[N@H+](C)CCN1C)n1cc[nH+]c1 ZINC001321717399 803805150 /nfs/dbraw/zinc/80/51/50/803805150.db2.gz ANCDNTIGXSOIPG-RYUDHWBXSA-N 2 2 265.361 -0.194 20 0 CBADLP C[C@@H](C(=O)NC[C@H]1C[N@@H+](C)CCN1C)n1cc[nH+]c1 ZINC001321717399 803805159 /nfs/dbraw/zinc/80/51/59/803805159.db2.gz ANCDNTIGXSOIPG-RYUDHWBXSA-N 2 2 265.361 -0.194 20 0 CBADLP C[C@@H](C[NH2+]CCO)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001321896309 803835190 /nfs/dbraw/zinc/83/51/90/803835190.db2.gz LRRDXQSFMZALNR-WDEREUQCSA-N 2 2 266.345 -0.468 20 0 CBADLP CCN1CC[C@H]([NH2+]CCNC(=O)Cc2[nH]c[nH+]c2C)C1=O ZINC001149124016 814971171 /nfs/dbraw/zinc/97/11/71/814971171.db2.gz OEZNRWVCJXMGQS-NSHDSACASA-N 2 2 293.371 -0.413 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+][C@@H](C)C(=O)N(C)C ZINC001149123302 814971285 /nfs/dbraw/zinc/97/12/85/814971285.db2.gz JBPBTWALIILQAZ-JTQLQIEISA-N 2 2 281.360 -0.557 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+][C@@H]1CCCNC1=O ZINC001149124166 814971296 /nfs/dbraw/zinc/97/12/96/814971296.db2.gz RNRUKGCZRKGRIW-SNVBAGLBSA-N 2 2 279.344 -0.755 20 0 CBADLP COCCOCC[NH2+]CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001149122757 814971772 /nfs/dbraw/zinc/97/17/72/814971772.db2.gz BACVOAUXKOYWRL-UHFFFAOYSA-N 2 2 284.360 -0.371 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001149135075 814972737 /nfs/dbraw/zinc/97/27/37/814972737.db2.gz PAWOZWDNTSOKIO-JTQLQIEISA-N 2 2 293.371 -0.366 20 0 CBADLP C[C@H](O)C[NH2+]CCCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001322711276 803931207 /nfs/dbraw/zinc/93/12/07/803931207.db2.gz SMOGQLWAMKILSO-JTQLQIEISA-N 2 2 254.334 -0.229 20 0 CBADLP C[C@H](O)C[NH2+]C[C@H](NC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001323121180 803978612 /nfs/dbraw/zinc/97/86/12/803978612.db2.gz ABTHOPPZRANGJD-JQWIXIFHSA-N 2 2 266.345 -0.252 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@@H](C[NH2+]CCCO)C1CC1 ZINC001323127126 803979856 /nfs/dbraw/zinc/97/98/56/803979856.db2.gz VLIBRWRSLIMTKR-LBPRGKRZSA-N 2 2 266.345 -0.250 20 0 CBADLP C[C@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001323280436 804001897 /nfs/dbraw/zinc/00/18/97/804001897.db2.gz YOHUCKJAHLKCCY-NWDGAFQWSA-N 2 2 266.345 -0.156 20 0 CBADLP C[C@H](O)C[N@H+]1CC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001323280436 804001906 /nfs/dbraw/zinc/00/19/06/804001906.db2.gz YOHUCKJAHLKCCY-NWDGAFQWSA-N 2 2 266.345 -0.156 20 0 CBADLP C[C@@H](O)C[NH2+]C1(CNC(=O)CCn2cc[nH+]c2)CC1 ZINC001323508680 804035761 /nfs/dbraw/zinc/03/57/61/804035761.db2.gz NJPHUWAGHJYCOI-LLVKDONJSA-N 2 2 266.345 -0.108 20 0 CBADLP C[NH2+]CC1CCN(C(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)CC1 ZINC001160456268 815625132 /nfs/dbraw/zinc/62/51/32/815625132.db2.gz FJJIVNLUNNVGMO-GXTWGEPZSA-N 3 2 266.389 -0.604 20 0 CBADLP Cc1[nH+]ccn1CC[N@H+](C)CCNS(C)(=O)=O ZINC001324646152 804182262 /nfs/dbraw/zinc/18/22/62/804182262.db2.gz ZFECNBRYGBYLHM-UHFFFAOYSA-N 2 2 260.363 -0.327 20 0 CBADLP Cc1[nH+]ccn1CC[N@@H+](C)CCNS(C)(=O)=O ZINC001324646152 804182270 /nfs/dbraw/zinc/18/22/70/804182270.db2.gz ZFECNBRYGBYLHM-UHFFFAOYSA-N 2 2 260.363 -0.327 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)NCC[NH2+][C@@H]1CCCNC1=O ZINC001149558682 814999696 /nfs/dbraw/zinc/99/96/96/814999696.db2.gz JYDGYWGMDKXBDP-GFCCVEGCSA-N 2 2 293.371 -0.663 20 0 CBADLP C[C@@H](O)C[NH2+]CCNC(=O)CCc1c[nH+]cn1C ZINC001149571012 815000874 /nfs/dbraw/zinc/00/08/74/815000874.db2.gz KYXPXTTYISXNDP-SNVBAGLBSA-N 2 2 254.334 -0.561 20 0 CBADLP Cc1nnc(C[NH2+]CCNC(=O)[C@@H]2CC[N@@H+](C)C2)o1 ZINC001151049815 815054098 /nfs/dbraw/zinc/05/40/98/815054098.db2.gz ZLBPUUVMJAAHKE-SNVBAGLBSA-N 2 2 267.333 -0.464 20 0 CBADLP Cc1nnc(C[NH2+]CCNC(=O)[C@@H]2CC[N@H+](C)C2)o1 ZINC001151049815 815054105 /nfs/dbraw/zinc/05/41/05/815054105.db2.gz ZLBPUUVMJAAHKE-SNVBAGLBSA-N 2 2 267.333 -0.464 20 0 CBADLP CC[C@@H](C(=O)N1CCC(=O)NCC[N@@H+](CC)CC1)[NH+](C)C ZINC001071000039 805206489 /nfs/dbraw/zinc/20/64/89/805206489.db2.gz LDUHDCZNLSVEQX-ZDUSSCGKSA-N 2 2 298.431 -0.003 20 0 CBADLP CC[C@@H](C(=O)N1CCC(=O)NCC[N@H+](CC)CC1)[NH+](C)C ZINC001071000039 805206496 /nfs/dbraw/zinc/20/64/96/805206496.db2.gz LDUHDCZNLSVEQX-ZDUSSCGKSA-N 2 2 298.431 -0.003 20 0 CBADLP O=C(C[NH+]1CCCC1)NCC[NH2+]Cc1ccon1 ZINC001151098050 815060207 /nfs/dbraw/zinc/06/02/07/815060207.db2.gz SNBIJOQPAIURIF-UHFFFAOYSA-N 2 2 252.318 -0.024 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NCC[NH2+]Cc1cnns1 ZINC001151121159 815061385 /nfs/dbraw/zinc/06/13/85/815061385.db2.gz CRUGACJYHYMGIE-UHFFFAOYSA-N 2 2 280.357 -0.051 20 0 CBADLP CCc1noc(C[NH2+]CCNC(=O)C[NH+]2CCCC2)n1 ZINC001151101138 815062898 /nfs/dbraw/zinc/06/28/98/815062898.db2.gz NMETYHIKVJKGEZ-UHFFFAOYSA-N 2 2 281.360 -0.066 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC(N)=O)C1 ZINC001072084743 805287275 /nfs/dbraw/zinc/28/72/75/805287275.db2.gz IERGTNUUOHIEJY-CMPLNLGQSA-N 2 2 293.371 -0.354 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC(N)=O)C1 ZINC001072084743 805287281 /nfs/dbraw/zinc/28/72/81/805287281.db2.gz IERGTNUUOHIEJY-CMPLNLGQSA-N 2 2 293.371 -0.354 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CC2(C1)CC[N@@H+](CCCO)C2 ZINC001073016437 805355966 /nfs/dbraw/zinc/35/59/66/805355966.db2.gz YNTBHVIGKPMMLA-UHFFFAOYSA-N 2 2 278.356 -0.131 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CC2(C1)CC[N@H+](CCCO)C2 ZINC001073016437 805355976 /nfs/dbraw/zinc/35/59/76/805355976.db2.gz YNTBHVIGKPMMLA-UHFFFAOYSA-N 2 2 278.356 -0.131 20 0 CBADLP CNC(=O)C[N@@H+]1CCC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001073017291 805356581 /nfs/dbraw/zinc/35/65/81/805356581.db2.gz AJDDBIYRLQEQMA-UHFFFAOYSA-N 2 2 291.355 -0.768 20 0 CBADLP CNC(=O)C[N@H+]1CCC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001073017291 805356589 /nfs/dbraw/zinc/35/65/89/805356589.db2.gz AJDDBIYRLQEQMA-UHFFFAOYSA-N 2 2 291.355 -0.768 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CCC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001073016118 805356811 /nfs/dbraw/zinc/35/68/11/805356811.db2.gz JSZAODZANYYSKR-JTQLQIEISA-N 2 2 291.355 -0.640 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001073016118 805356820 /nfs/dbraw/zinc/35/68/20/805356820.db2.gz JSZAODZANYYSKR-JTQLQIEISA-N 2 2 291.355 -0.640 20 0 CBADLP C[C@@H](O)C[N@@H+]1CCC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001073078866 805358436 /nfs/dbraw/zinc/35/84/36/805358436.db2.gz CCNWTLPFVVPMHZ-LLVKDONJSA-N 2 2 278.356 -0.133 20 0 CBADLP C[C@@H](O)C[N@H+]1CCC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001073078866 805358444 /nfs/dbraw/zinc/35/84/44/805358444.db2.gz CCNWTLPFVVPMHZ-LLVKDONJSA-N 2 2 278.356 -0.133 20 0 CBADLP C[C@H](CC(=O)N1CC[C@H]([NH2+]CC(N)=O)[C@@H]1C)n1cc[nH+]c1 ZINC001074927462 805479137 /nfs/dbraw/zinc/47/91/37/805479137.db2.gz GBQCBWOHGZTHHF-WOPDTQHZSA-N 2 2 293.371 -0.102 20 0 CBADLP C[C@@H](CC(=O)N1CC[C@H]([NH2+]CC(N)=O)[C@@H]1C)n1cc[nH+]c1 ZINC001074927461 805479277 /nfs/dbraw/zinc/47/92/77/805479277.db2.gz GBQCBWOHGZTHHF-SRVKXCTJSA-N 2 2 293.371 -0.102 20 0 CBADLP C[C@@H](O)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC001075040168 805481089 /nfs/dbraw/zinc/48/10/89/805481089.db2.gz QFRMKTRKNMIJAH-MDZLAQPJSA-N 2 2 280.372 -0.078 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)N1CC[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001075866335 805538646 /nfs/dbraw/zinc/53/86/46/805538646.db2.gz AYLBSGCBPBMUMK-WCQYABFASA-N 2 2 278.356 -0.133 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)N1CC[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001075866335 805538656 /nfs/dbraw/zinc/53/86/56/805538656.db2.gz AYLBSGCBPBMUMK-WCQYABFASA-N 2 2 278.356 -0.133 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)N1CC[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001075866335 805538666 /nfs/dbraw/zinc/53/86/66/805538666.db2.gz AYLBSGCBPBMUMK-WCQYABFASA-N 2 2 278.356 -0.133 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)N1CC[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001075866335 805538673 /nfs/dbraw/zinc/53/86/73/805538673.db2.gz AYLBSGCBPBMUMK-WCQYABFASA-N 2 2 278.356 -0.133 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC001076295755 805565997 /nfs/dbraw/zinc/56/59/97/805565997.db2.gz WXMLAJPPLXWNPP-WCQYABFASA-N 2 2 278.356 -0.133 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC001076295755 805566001 /nfs/dbraw/zinc/56/60/01/805566001.db2.gz WXMLAJPPLXWNPP-WCQYABFASA-N 2 2 278.356 -0.133 20 0 CBADLP CO[C@@H](C)C[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+]1CCOCC1 ZINC001151815068 815095939 /nfs/dbraw/zinc/09/59/39/815095939.db2.gz QBDOWXYSJUQKNS-GXTWGEPZSA-N 2 2 299.415 -0.162 20 0 CBADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1nnnn1C ZINC001152446450 815123330 /nfs/dbraw/zinc/12/33/30/815123330.db2.gz YXIGXQIIEYOOBQ-LLVKDONJSA-N 2 2 295.391 -0.710 20 0 CBADLP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1nnnn1C ZINC001152446450 815123331 /nfs/dbraw/zinc/12/33/31/815123331.db2.gz YXIGXQIIEYOOBQ-LLVKDONJSA-N 2 2 295.391 -0.710 20 0 CBADLP C[C@@H](O)C[NH2+]CCNC(=O)[C@H](c1cccnc1)[NH+](C)C ZINC001152618151 815131493 /nfs/dbraw/zinc/13/14/93/815131493.db2.gz JFBWMMNHIUGBSP-YPMHNXCESA-N 2 2 280.372 -0.229 20 0 CBADLP O=C(CCCn1cc[nH+]c1)NCC[NH2+]CC(=O)N1CCC1 ZINC001153339137 815159189 /nfs/dbraw/zinc/15/91/89/815159189.db2.gz ICGSGSCJKDINKW-UHFFFAOYSA-N 2 2 293.371 -0.399 20 0 CBADLP O=C(Cn1cc[nH+]c1)NCC[NH2+]CC(=O)N1CCCC1 ZINC001153487533 815162969 /nfs/dbraw/zinc/16/29/69/815162969.db2.gz CPQOUMMDVWKDJU-UHFFFAOYSA-N 2 2 279.344 -0.789 20 0 CBADLP CCN1CC[C@@H]([NH2+]CCNC(=O)Cn2cc[nH+]c2)C1=O ZINC001153496281 815164083 /nfs/dbraw/zinc/16/40/83/815164083.db2.gz YNGXODHVZGEJPV-LLVKDONJSA-N 2 2 279.344 -0.790 20 0 CBADLP Cc1cc(C[NH2+]CCNC(=O)Cn2cc[nH+]c2)ncn1 ZINC001153495142 815164103 /nfs/dbraw/zinc/16/41/03/815164103.db2.gz CCHQYGGGCSKDNS-UHFFFAOYSA-N 2 2 274.328 -0.112 20 0 CBADLP C[C@H]([NH2+]CCNC(=O)Cn1cc[nH+]c1)C(=O)NC(C)(C)C ZINC001153499994 815164285 /nfs/dbraw/zinc/16/42/85/815164285.db2.gz BYTGXHGBBZWGMK-NSHDSACASA-N 2 2 295.387 -0.108 20 0 CBADLP CC(C)N(C)C(=O)[C@H](C)[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153500557 815164298 /nfs/dbraw/zinc/16/42/98/815164298.db2.gz OWZWZUOGJKJPOY-LBPRGKRZSA-N 2 2 295.387 -0.156 20 0 CBADLP CCN(CC)C(=O)[C@H](C)[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153500335 815164606 /nfs/dbraw/zinc/16/46/06/815164606.db2.gz KBVLKWIBWAGTIP-LBPRGKRZSA-N 2 2 295.387 -0.154 20 0 CBADLP CC(C)COC[C@H](O)C[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153500477 815164642 /nfs/dbraw/zinc/16/46/42/815164642.db2.gz LTXKQKSEPJZHDR-CYBMUJFWSA-N 2 2 298.387 -0.378 20 0 CBADLP Cn1nccc1CC[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153495931 815164794 /nfs/dbraw/zinc/16/47/94/815164794.db2.gz RGOXIRCTZCPJGF-UHFFFAOYSA-N 2 2 276.344 -0.435 20 0 CBADLP CC(C)N1CC[C@@H]([NH2+]CCNC(=O)Cn2cc[nH+]c2)C1=O ZINC001153500324 815164948 /nfs/dbraw/zinc/16/49/48/815164948.db2.gz JVRNSHGJYFWRRI-GFCCVEGCSA-N 2 2 293.371 -0.402 20 0 CBADLP COC(=O)[C@H]([NH3+])C1CCN(c2cc[nH+]c(N)n2)CC1 ZINC001155158861 815267772 /nfs/dbraw/zinc/26/77/72/815267772.db2.gz GBVYCXCTUVNPAD-SNVBAGLBSA-N 2 2 265.317 -0.225 20 0 CBADLP CN(C)c1cc(N[C@]23CC[NH2+][C@H]2CC(=O)N3)nc[nH+]1 ZINC001155568942 815292710 /nfs/dbraw/zinc/29/27/10/815292710.db2.gz CEDFFXXIFZPJQD-UFBFGSQYSA-N 2 2 262.317 -0.467 20 0 CBADLP CC[N@H+](C[C@H](O)COC)[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001156011587 815330072 /nfs/dbraw/zinc/33/00/72/815330072.db2.gz MRDYNTXGSZYUJS-NEPJUHHUSA-N 2 2 298.387 -0.214 20 0 CBADLP CC[N@@H+](C[C@H](O)COC)[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001156011587 815330079 /nfs/dbraw/zinc/33/00/79/815330079.db2.gz MRDYNTXGSZYUJS-NEPJUHHUSA-N 2 2 298.387 -0.214 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]Cc2ccon2)C1 ZINC001156125845 815338609 /nfs/dbraw/zinc/33/86/09/815338609.db2.gz PQGHOIATEJYDIN-LBPRGKRZSA-N 2 2 282.344 -0.399 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]Cc2ccon2)C1 ZINC001156125845 815338613 /nfs/dbraw/zinc/33/86/13/815338613.db2.gz PQGHOIATEJYDIN-LBPRGKRZSA-N 2 2 282.344 -0.399 20 0 CBADLP Cc1conc1C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001156152283 815340827 /nfs/dbraw/zinc/34/08/27/815340827.db2.gz KHQXJPKLXOLXTB-CYBMUJFWSA-N 2 2 296.371 -0.090 20 0 CBADLP Cc1conc1C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001156152283 815340832 /nfs/dbraw/zinc/34/08/32/815340832.db2.gz KHQXJPKLXOLXTB-CYBMUJFWSA-N 2 2 296.371 -0.090 20 0 CBADLP O=C(NC[C@H]1C[C@H]([NH2+]CCO)C1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001086404962 810267912 /nfs/dbraw/zinc/26/79/12/810267912.db2.gz VGOWRBQSISYBJL-JHJVBQTASA-N 2 2 292.383 -0.078 20 0 CBADLP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@@H+]1CC(=O)NC ZINC001087847321 810309082 /nfs/dbraw/zinc/30/90/82/810309082.db2.gz CSGMZNMGWNEIFH-NWDGAFQWSA-N 2 2 293.371 -0.402 20 0 CBADLP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@H+]1CC(=O)NC ZINC001087847321 810309091 /nfs/dbraw/zinc/30/90/91/810309091.db2.gz CSGMZNMGWNEIFH-NWDGAFQWSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@@H+]1CC(=O)N(C)C ZINC001089073846 810375752 /nfs/dbraw/zinc/37/57/52/810375752.db2.gz FGSGYAONRRLBKO-NEPJUHHUSA-N 2 2 293.371 -0.450 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@H+]1CC(=O)N(C)C ZINC001089073846 810375760 /nfs/dbraw/zinc/37/57/60/810375760.db2.gz FGSGYAONRRLBKO-NEPJUHHUSA-N 2 2 293.371 -0.450 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@@H+]1CCO ZINC001089074357 810376888 /nfs/dbraw/zinc/37/68/88/810376888.db2.gz CBMPPLBLVRAGRT-MNOVXSKESA-N 2 2 252.318 -0.546 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@H+]1CCO ZINC001089074357 810376898 /nfs/dbraw/zinc/37/68/98/810376898.db2.gz CBMPPLBLVRAGRT-MNOVXSKESA-N 2 2 252.318 -0.546 20 0 CBADLP C[NH+]1CCN(c2cccc(-n3cnc(C[NH3+])cc3=N)n2)CC1 ZINC001156624758 815369793 /nfs/dbraw/zinc/36/97/93/815369793.db2.gz YMRCPHHXPMTNHO-UHFFFAOYSA-N 2 2 299.382 -0.043 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[N@H+](CCCF)C[C@H]1O ZINC001090728479 810556965 /nfs/dbraw/zinc/55/69/65/810556965.db2.gz SOKRTGYHKKPKMV-QWHCGFSZSA-N 2 2 298.362 -0.126 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[N@@H+](CCCF)C[C@H]1O ZINC001090728479 810556970 /nfs/dbraw/zinc/55/69/70/810556970.db2.gz SOKRTGYHKKPKMV-QWHCGFSZSA-N 2 2 298.362 -0.126 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[N@H+](CCCF)C[C@H]1O ZINC001090728477 810556988 /nfs/dbraw/zinc/55/69/88/810556988.db2.gz SOKRTGYHKKPKMV-CHWSQXEVSA-N 2 2 298.362 -0.126 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[N@@H+](CCCF)C[C@H]1O ZINC001090728477 810556991 /nfs/dbraw/zinc/55/69/91/810556991.db2.gz SOKRTGYHKKPKMV-CHWSQXEVSA-N 2 2 298.362 -0.126 20 0 CBADLP CC(C)[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001090847883 810575804 /nfs/dbraw/zinc/57/58/04/810575804.db2.gz CBGMGOVTJIHDQU-RYUDHWBXSA-N 2 2 266.345 -0.157 20 0 CBADLP CC(C)[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001090847883 810575808 /nfs/dbraw/zinc/57/58/08/810575808.db2.gz CBGMGOVTJIHDQU-RYUDHWBXSA-N 2 2 266.345 -0.157 20 0 CBADLP O=C(NCC1CC([NH2+]CCO)C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001091106722 810592936 /nfs/dbraw/zinc/59/29/36/810592936.db2.gz UEGJHVSUZOTFDW-OTTFEQOBSA-N 2 2 292.383 -0.078 20 0 CBADLP C[C@]12CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]1C[N@H+](CC(N)=O)C2 ZINC001092053091 810621562 /nfs/dbraw/zinc/62/15/62/810621562.db2.gz YANQHOSOCQQCCO-YGRLFVJLSA-N 2 2 291.355 -0.782 20 0 CBADLP C[C@]12CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]1C[N@@H+](CC(N)=O)C2 ZINC001092053091 810621566 /nfs/dbraw/zinc/62/15/66/810621566.db2.gz YANQHOSOCQQCCO-YGRLFVJLSA-N 2 2 291.355 -0.782 20 0 CBADLP Nc1[nH]c2cc(C(=O)NC3(C[NH3+])COC3)ccc2[nH+]1 ZINC001156979706 815394656 /nfs/dbraw/zinc/39/46/56/815394656.db2.gz YKQXILMHQFQSRP-UHFFFAOYSA-N 2 2 261.285 -0.397 20 0 CBADLP CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001096886045 810789354 /nfs/dbraw/zinc/78/93/54/810789354.db2.gz FLRCFJJLKPHHHE-NDBYEHHHSA-N 2 2 294.399 -0.452 20 0 CBADLP CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001096886045 810789357 /nfs/dbraw/zinc/78/93/57/810789357.db2.gz FLRCFJJLKPHHHE-NDBYEHHHSA-N 2 2 294.399 -0.452 20 0 CBADLP CNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C2 ZINC001096886045 810789363 /nfs/dbraw/zinc/78/93/63/810789363.db2.gz FLRCFJJLKPHHHE-NDBYEHHHSA-N 2 2 294.399 -0.452 20 0 CBADLP CNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)C2 ZINC001096886045 810789369 /nfs/dbraw/zinc/78/93/69/810789369.db2.gz FLRCFJJLKPHHHE-NDBYEHHHSA-N 2 2 294.399 -0.452 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001098405891 810843541 /nfs/dbraw/zinc/84/35/41/810843541.db2.gz VURJEFYEDVHSCF-UTUOFQBUSA-N 2 2 291.355 -0.602 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001098405891 810843549 /nfs/dbraw/zinc/84/35/49/810843549.db2.gz VURJEFYEDVHSCF-UTUOFQBUSA-N 2 2 291.355 -0.602 20 0 CBADLP CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001098393657 810843678 /nfs/dbraw/zinc/84/36/78/810843678.db2.gz BDWDHYVZUPKTMX-LPWJVIDDSA-N 2 2 294.399 -0.594 20 0 CBADLP CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001098393657 810843690 /nfs/dbraw/zinc/84/36/90/810843690.db2.gz BDWDHYVZUPKTMX-LPWJVIDDSA-N 2 2 294.399 -0.594 20 0 CBADLP CNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001098393657 810843699 /nfs/dbraw/zinc/84/36/99/810843699.db2.gz BDWDHYVZUPKTMX-LPWJVIDDSA-N 2 2 294.399 -0.594 20 0 CBADLP CNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001098393657 810843706 /nfs/dbraw/zinc/84/37/06/810843706.db2.gz BDWDHYVZUPKTMX-LPWJVIDDSA-N 2 2 294.399 -0.594 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CCC([NH+](CCO)CCO)CC1 ZINC001098488437 810848913 /nfs/dbraw/zinc/84/89/13/810848913.db2.gz XFWLHQAMZQBGGE-UHFFFAOYSA-N 2 2 296.371 -0.770 20 0 CBADLP CCOC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001157081875 815403871 /nfs/dbraw/zinc/40/38/71/815403871.db2.gz DIMBDQOTWLOLMP-QWRGUYRKSA-N 3 2 297.359 -0.934 20 0 CBADLP CCOC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001157081875 815403873 /nfs/dbraw/zinc/40/38/73/815403873.db2.gz DIMBDQOTWLOLMP-QWRGUYRKSA-N 3 2 297.359 -0.934 20 0 CBADLP CC[N@@H+]1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001099804220 810943860 /nfs/dbraw/zinc/94/38/60/810943860.db2.gz KBIIAOBVXJONRW-GHMZBOCLSA-N 2 2 266.345 -0.086 20 0 CBADLP CC[N@H+]1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001099804220 810943862 /nfs/dbraw/zinc/94/38/62/810943862.db2.gz KBIIAOBVXJONRW-GHMZBOCLSA-N 2 2 266.345 -0.086 20 0 CBADLP COCC[N@@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)[C@H](O)C1 ZINC001099940675 810972935 /nfs/dbraw/zinc/97/29/35/810972935.db2.gz ZOUZSBZVZPOYIV-QWHCGFSZSA-N 2 2 296.371 -0.529 20 0 CBADLP COCC[N@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)[C@H](O)C1 ZINC001099940675 810972943 /nfs/dbraw/zinc/97/29/43/810972943.db2.gz ZOUZSBZVZPOYIV-QWHCGFSZSA-N 2 2 296.371 -0.529 20 0 CBADLP CCOCC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](O)C1 ZINC001100017011 810993835 /nfs/dbraw/zinc/99/38/35/810993835.db2.gz CPAKRUHRKGCUTK-CHWSQXEVSA-N 2 2 296.371 -0.460 20 0 CBADLP CCOCC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](O)C1 ZINC001100017011 810993840 /nfs/dbraw/zinc/99/38/40/810993840.db2.gz CPAKRUHRKGCUTK-CHWSQXEVSA-N 2 2 296.371 -0.460 20 0 CBADLP COCCC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001100048492 811003402 /nfs/dbraw/zinc/00/34/02/811003402.db2.gz MQNWFKCHVFLNAH-NEPJUHHUSA-N 2 2 296.371 -0.460 20 0 CBADLP COCCC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001100048492 811003408 /nfs/dbraw/zinc/00/34/08/811003408.db2.gz MQNWFKCHVFLNAH-NEPJUHHUSA-N 2 2 296.371 -0.460 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)NCC1CC([NH2+]CC(N)=O)C1 ZINC001100528454 811061352 /nfs/dbraw/zinc/06/13/52/811061352.db2.gz CECBCGWIBHQVGB-UHFFFAOYSA-N 2 2 293.371 -0.678 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)NCC1CC([NH2+]CCO)C1 ZINC001100528762 811061626 /nfs/dbraw/zinc/06/16/26/811061626.db2.gz QYRYUARNYOHEEW-UHFFFAOYSA-N 2 2 280.372 -0.171 20 0 CBADLP C[C@@H](O)C[NH2+]C1CC(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001100710412 811074583 /nfs/dbraw/zinc/07/45/83/811074583.db2.gz QGLDEAKMKHGQHT-KPPDAEKUSA-N 2 2 266.345 -0.183 20 0 CBADLP C[C@H]([NH2+]C1CC(CNC(=O)Cc2[nH]cc[nH+]2)C1)C(N)=O ZINC001100790113 811079548 /nfs/dbraw/zinc/07/95/48/811079548.db2.gz PGSLHECZYJYJFJ-IDKOKCKLSA-N 2 2 279.344 -0.690 20 0 CBADLP C[C@H](O)C[NH2+]C1CC(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001100789461 811079812 /nfs/dbraw/zinc/07/98/12/811079812.db2.gz BOYGMVVCSHDTMW-WHXUTIOJSA-N 2 2 266.345 -0.183 20 0 CBADLP C[C@@H](O)C[NH2+]C1CC(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001100871505 811082311 /nfs/dbraw/zinc/08/23/11/811082311.db2.gz UVPXJPIJPRQZJD-VOMCLLRMSA-N 2 2 280.372 -0.172 20 0 CBADLP O=C(Cn1cc[nH+]c1)NCC1CC([NH2+]CCCO)C1 ZINC001101069322 811092455 /nfs/dbraw/zinc/09/24/55/811092455.db2.gz LRHZOXMINAEUJZ-UHFFFAOYSA-N 2 2 266.345 -0.250 20 0 CBADLP CC[C@H]([NH2+]C1CC(CNC(=O)Cn2cc[nH+]c2)C1)C(N)=O ZINC001101069592 811092923 /nfs/dbraw/zinc/09/29/23/811092923.db2.gz REGMWBMGDUGVLS-MCIGGMRASA-N 2 2 293.371 -0.369 20 0 CBADLP O=C(Cn1cc[nH+]c1)NCC1CC([NH2+]CCO)C1 ZINC001101069819 811093275 /nfs/dbraw/zinc/09/32/75/811093275.db2.gz WYWMITAIWXVKHY-UHFFFAOYSA-N 2 2 252.318 -0.640 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1C[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102406076 811156430 /nfs/dbraw/zinc/15/64/30/811156430.db2.gz APSXAGQUMFKKIJ-GMTAPVOTSA-N 2 2 293.371 -0.490 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102406076 811156433 /nfs/dbraw/zinc/15/64/33/811156433.db2.gz APSXAGQUMFKKIJ-GMTAPVOTSA-N 2 2 293.371 -0.490 20 0 CBADLP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001102616464 811161682 /nfs/dbraw/zinc/16/16/82/811161682.db2.gz BTUILKPCIZEQML-GHMZBOCLSA-N 2 2 279.344 -0.948 20 0 CBADLP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001102616464 811161687 /nfs/dbraw/zinc/16/16/87/811161687.db2.gz BTUILKPCIZEQML-GHMZBOCLSA-N 2 2 279.344 -0.948 20 0 CBADLP C[C@H](NC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2)[C@@H]1CCCO1 ZINC001157423084 815431836 /nfs/dbraw/zinc/43/18/36/815431836.db2.gz JNNNUBNEMPFRJP-SRRSOLGSSA-N 2 2 253.346 -0.378 20 0 CBADLP Cn1cc[nH+]c1CCNC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001157423301 815433135 /nfs/dbraw/zinc/43/31/35/815433135.db2.gz RFYNCVSJIQSIHZ-GFCCVEGCSA-N 3 2 291.399 -0.047 20 0 CBADLP Cc1nc(NC[C@H](O)CNC(=O)C[NH+]2CCCC2)cc[nH+]1 ZINC001105856132 811269268 /nfs/dbraw/zinc/26/92/68/811269268.db2.gz OKPNDENDRXSYPP-LBPRGKRZSA-N 2 2 293.371 -0.230 20 0 CBADLP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C[NH2+]CC(N)=O ZINC001106224167 811302999 /nfs/dbraw/zinc/30/29/99/811302999.db2.gz SXCCAQANVOWUTB-GHMZBOCLSA-N 2 2 293.371 -0.488 20 0 CBADLP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C[NH2+]CC(N)=O ZINC001106224167 811303006 /nfs/dbraw/zinc/30/30/06/811303006.db2.gz SXCCAQANVOWUTB-GHMZBOCLSA-N 2 2 293.371 -0.488 20 0 CBADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C[NH2+]CC(N)=O ZINC001106876974 811317471 /nfs/dbraw/zinc/31/74/71/811317471.db2.gz HGRHKGQBPOMLBK-GHMZBOCLSA-N 2 2 293.371 -0.868 20 0 CBADLP CNC(=O)C1CCN(C(=O)C2([NH3+])CC[NH2+]CC2)CC1 ZINC001157495716 815438800 /nfs/dbraw/zinc/43/88/00/815438800.db2.gz LFVZBJSLOCUSMU-UHFFFAOYSA-N 2 2 268.361 -0.948 20 0 CBADLP CCCN(CCOC)C(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001157486204 815439129 /nfs/dbraw/zinc/43/91/29/815439129.db2.gz SQLIJUMXQWCZFX-AAEUAGOBSA-N 2 2 255.362 -0.177 20 0 CBADLP CNC(=O)C1CCN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)CC1 ZINC001157496547 815439751 /nfs/dbraw/zinc/43/97/51/815439751.db2.gz XBEDZYBPJJMQMB-GYSYKLTISA-N 2 2 280.372 -0.807 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CC(N2CC(F)C2)C1 ZINC001157525797 815440858 /nfs/dbraw/zinc/44/08/58/815440858.db2.gz DHAWQMOYMAZTRE-LBPRGKRZSA-N 2 2 281.335 -0.846 20 0 CBADLP CN(CC(F)(F)F)C(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001157519290 815441579 /nfs/dbraw/zinc/44/15/79/815441579.db2.gz MNKCCFORGMDNKM-IONNQARKSA-N 2 2 251.252 -0.041 20 0 CBADLP O=C(N1CCc2cnccc2C1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001157568325 815446276 /nfs/dbraw/zinc/44/62/76/815446276.db2.gz RPEHBWGQAMZJKI-ZFWWWQNUSA-N 2 2 272.352 -0.082 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NC[C@@]1(C)C[NH+](CCO)CCO1 ZINC001108421649 811446306 /nfs/dbraw/zinc/44/63/06/811446306.db2.gz RCTQENZPSMPLIQ-AWEZNQCLSA-N 2 2 287.404 -0.474 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NC[C@@]1(C)C[NH+](CCO)CCO1 ZINC001108421649 811446312 /nfs/dbraw/zinc/44/63/12/811446312.db2.gz RCTQENZPSMPLIQ-AWEZNQCLSA-N 2 2 287.404 -0.474 20 0 CBADLP CC(C)[NH+](C)CC(=O)NC[C@@]1(C)C[N@H+](CCO)CCO1 ZINC001108421649 811446316 /nfs/dbraw/zinc/44/63/16/811446316.db2.gz RCTQENZPSMPLIQ-AWEZNQCLSA-N 2 2 287.404 -0.474 20 0 CBADLP CC(C)[NH+](C)CC(=O)NC[C@@]1(C)C[N@@H+](CCO)CCO1 ZINC001108421649 811446321 /nfs/dbraw/zinc/44/63/21/811446321.db2.gz RCTQENZPSMPLIQ-AWEZNQCLSA-N 2 2 287.404 -0.474 20 0 CBADLP C[NH+](C)C1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(N)=O)CCC1 ZINC001109403340 811496317 /nfs/dbraw/zinc/49/63/17/811496317.db2.gz AOSKOTATHOJEKL-WOPDTQHZSA-N 2 2 294.399 -0.323 20 0 CBADLP C[NH+](C)C1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(N)=O)CCC1 ZINC001109403340 811496325 /nfs/dbraw/zinc/49/63/25/811496325.db2.gz AOSKOTATHOJEKL-WOPDTQHZSA-N 2 2 294.399 -0.323 20 0 CBADLP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001109653587 811498164 /nfs/dbraw/zinc/49/81/64/811498164.db2.gz YEWGGVRWECJBDE-WOPDTQHZSA-N 2 2 282.388 -0.465 20 0 CBADLP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001109653587 811498168 /nfs/dbraw/zinc/49/81/68/811498168.db2.gz YEWGGVRWECJBDE-WOPDTQHZSA-N 2 2 282.388 -0.465 20 0 CBADLP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC ZINC001109864473 811503897 /nfs/dbraw/zinc/50/38/97/811503897.db2.gz DNJLTTKBEHBYQF-AGIUHOORSA-N 2 2 296.415 -0.204 20 0 CBADLP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC ZINC001109864473 811503903 /nfs/dbraw/zinc/50/39/03/811503903.db2.gz DNJLTTKBEHBYQF-AGIUHOORSA-N 2 2 296.415 -0.204 20 0 CBADLP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001109864976 811503932 /nfs/dbraw/zinc/50/39/32/811503932.db2.gz DMZBQAAGPWYKJQ-WOPDTQHZSA-N 2 2 282.388 -0.465 20 0 CBADLP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001109864976 811503938 /nfs/dbraw/zinc/50/39/38/811503938.db2.gz DMZBQAAGPWYKJQ-WOPDTQHZSA-N 2 2 282.388 -0.465 20 0 CBADLP CCNC(=O)CN(C)C(=O)[C@@H]1CCC[N@@H+]([C@@H]2CC[NH2+]C2)C1 ZINC001157679759 815453232 /nfs/dbraw/zinc/45/32/32/815453232.db2.gz ZNCXFOZQGDIVQZ-CHWSQXEVSA-N 2 2 296.415 -0.345 20 0 CBADLP CCNC(=O)CN(C)C(=O)[C@@H]1CCC[N@H+]([C@@H]2CC[NH2+]C2)C1 ZINC001157679759 815453238 /nfs/dbraw/zinc/45/32/38/815453238.db2.gz ZNCXFOZQGDIVQZ-CHWSQXEVSA-N 2 2 296.415 -0.345 20 0 CBADLP C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001110959712 811534752 /nfs/dbraw/zinc/53/47/52/811534752.db2.gz YEWGGVRWECJBDE-UTUOFQBUSA-N 2 2 282.388 -0.465 20 0 CBADLP C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001110959712 811534754 /nfs/dbraw/zinc/53/47/54/811534754.db2.gz YEWGGVRWECJBDE-UTUOFQBUSA-N 2 2 282.388 -0.465 20 0 CBADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)N1CC(F)(C2CC2)C1 ZINC001157708540 815455620 /nfs/dbraw/zinc/45/56/20/815455620.db2.gz VEYNHLWKVIACTF-GFCCVEGCSA-N 2 2 284.379 -0.303 20 0 CBADLP C[N@H+](CC(=O)N1CC[NH+](CCOCCO)CC1)C1CCC1 ZINC001112969409 811614128 /nfs/dbraw/zinc/61/41/28/811614128.db2.gz DUAKFQXPZKBZQA-UHFFFAOYSA-N 2 2 299.415 -0.376 20 0 CBADLP C[N@@H+](CC(=O)N1CC[NH+](CCOCCO)CC1)C1CCC1 ZINC001112969409 811614133 /nfs/dbraw/zinc/61/41/33/811614133.db2.gz DUAKFQXPZKBZQA-UHFFFAOYSA-N 2 2 299.415 -0.376 20 0 CBADLP [NH3+]C[C@@]1(F)CCCN(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)CC1 ZINC001157745235 815461423 /nfs/dbraw/zinc/46/14/23/815461423.db2.gz MWMLRFMPUNPTCK-JFGNBEQYSA-N 3 2 258.341 -0.645 20 0 CBADLP COC(=O)[C@H]1C[N@H+](C)CCN1c1ncc2c(n1)C[NH2+]C2 ZINC001157773429 815464990 /nfs/dbraw/zinc/46/49/90/815464990.db2.gz NWISEQAZNOFZHP-LLVKDONJSA-N 2 2 277.328 -0.627 20 0 CBADLP COC(=O)[C@H]1C[N@@H+](C)CCN1c1ncc2c(n1)C[NH2+]C2 ZINC001157773429 815464992 /nfs/dbraw/zinc/46/49/92/815464992.db2.gz NWISEQAZNOFZHP-LLVKDONJSA-N 2 2 277.328 -0.627 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CCC[C@@](O)(CF)CC1 ZINC001157793351 815466888 /nfs/dbraw/zinc/46/68/88/815466888.db2.gz LBJTVOKANOKMER-NHCYSSNCSA-N 2 2 259.325 -0.754 20 0 CBADLP C[C@@H]1CCN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)C[C@@H]1[NH3+] ZINC001157798895 815468705 /nfs/dbraw/zinc/46/87/05/815468705.db2.gz GLIKDXYBSCTIQR-HMUNZLOLSA-N 3 2 252.362 -0.596 20 0 CBADLP C[C@@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001157844300 815470618 /nfs/dbraw/zinc/47/06/18/815470618.db2.gz VWXOMMRBBJAHRM-CKYFFXLPSA-N 3 2 265.361 -0.135 20 0 CBADLP CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1[nH]cc[nH+]1 ZINC001114207489 811730877 /nfs/dbraw/zinc/73/08/77/811730877.db2.gz VYFIQFSYEVCZGW-MSRIBSCDSA-N 2 2 291.355 -0.865 20 0 CBADLP CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1[nH]cc[nH+]1 ZINC001114207489 811730885 /nfs/dbraw/zinc/73/08/85/811730885.db2.gz VYFIQFSYEVCZGW-MSRIBSCDSA-N 2 2 291.355 -0.865 20 0 CBADLP COC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001157844324 815470854 /nfs/dbraw/zinc/47/08/54/815470854.db2.gz WACJGQDRXKWWNE-GUBZILKMSA-N 2 2 257.334 -0.537 20 0 CBADLP C[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH]c[nH+]1 ZINC001114386547 811745800 /nfs/dbraw/zinc/74/58/00/811745800.db2.gz FJNUDVJRWFYKJA-WUWHUORYSA-N 2 2 278.356 -0.231 20 0 CBADLP C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH]c[nH+]1 ZINC001114386547 811745812 /nfs/dbraw/zinc/74/58/12/811745812.db2.gz FJNUDVJRWFYKJA-WUWHUORYSA-N 2 2 278.356 -0.231 20 0 CBADLP C[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH+]c[nH]1 ZINC001114386547 811745822 /nfs/dbraw/zinc/74/58/22/811745822.db2.gz FJNUDVJRWFYKJA-WUWHUORYSA-N 2 2 278.356 -0.231 20 0 CBADLP C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH+]c[nH]1 ZINC001114386547 811745831 /nfs/dbraw/zinc/74/58/31/811745831.db2.gz FJNUDVJRWFYKJA-WUWHUORYSA-N 2 2 278.356 -0.231 20 0 CBADLP C[C@@H]1CC[C@H](CO)CN1C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001157854198 815472175 /nfs/dbraw/zinc/47/21/75/815472175.db2.gz AFYGWMOCSWJWGV-OJROKELRSA-N 2 2 267.373 -0.172 20 0 CBADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CCCC(=O)[C@H](F)C1 ZINC001157855090 815472999 /nfs/dbraw/zinc/47/29/99/815472999.db2.gz LPULJMSHKHXFFV-ZRUFSTJUSA-N 2 2 269.320 -0.534 20 0 CBADLP C[C@@H]1CC[C@@H](CO)CN1C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001157854971 815473642 /nfs/dbraw/zinc/47/36/42/815473642.db2.gz KQWLIVHGBYHCDF-NAWOPXAZSA-N 2 2 267.373 -0.444 20 0 CBADLP [NH3+]C1(C(=O)N2C[C@H](CO)CC(F)(F)C2)CC[NH2+]CC1 ZINC001157901421 815478632 /nfs/dbraw/zinc/47/86/32/815478632.db2.gz ZXBLBFPDTMCEBE-SECBINFHSA-N 2 2 277.315 -0.457 20 0 CBADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)N2CC[C@H](CO)[C@H](O)C2)cc1 ZINC001157903007 815479405 /nfs/dbraw/zinc/47/94/05/815479405.db2.gz DMDRRWHFZOVNTR-HZSPNIEDSA-N 2 2 293.367 -0.540 20 0 CBADLP C[C@]1(CO)CCCN(C(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)CC1 ZINC001157901257 815479484 /nfs/dbraw/zinc/47/94/84/815479484.db2.gz YINJHPCGIJFUIP-SNPRPXQTSA-N 2 2 281.400 -0.051 20 0 CBADLP C[C@H]1CC[C@@H](CO)N1C(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001157914733 815481112 /nfs/dbraw/zinc/48/11/12/815481112.db2.gz MSYVWZWFHKIGRL-MRBYEJRBSA-N 2 2 253.346 -0.690 20 0 CBADLP CN(C)C(=O)c1cncc(NC(=[NH2+])N2CC[NH+](C)CC2)n1 ZINC001157916422 815481835 /nfs/dbraw/zinc/48/18/35/815481835.db2.gz XZWDWQDNVLKGBT-UHFFFAOYSA-N 2 2 291.359 -0.228 20 0 CBADLP C[C@H]1CC[C@@H](CO)N1C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001157914389 815481981 /nfs/dbraw/zinc/48/19/81/815481981.db2.gz JDFJASVXWVPSLF-UHFZAUJKSA-N 2 2 253.346 -0.692 20 0 CBADLP CC1(C)CN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)[C@](C)(CO)C1 ZINC001157925604 815483292 /nfs/dbraw/zinc/48/32/92/815483292.db2.gz MTKUCTSOEUCBLP-OHTBPHCPSA-N 2 2 281.400 -0.054 20 0 CBADLP C[NH+]1CCN(c2cccc(-n3[nH]c(=O)nc3C[NH3+])n2)CC1 ZINC001157933671 815486269 /nfs/dbraw/zinc/48/62/69/815486269.db2.gz HRSHFMUUQNJPKS-UHFFFAOYSA-N 2 2 289.343 -0.422 20 0 CBADLP Cc1nc(CCN(C)C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)no1 ZINC001157983467 815494824 /nfs/dbraw/zinc/49/48/24/815494824.db2.gz PLSUJUMELKFKKV-GARJFASQSA-N 2 2 279.344 -0.671 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@H]1CC[C@@H]1[NH3+] ZINC001158000133 815496645 /nfs/dbraw/zinc/49/66/45/815496645.db2.gz VNQMHXPWJLNMTE-GUBZILKMSA-N 2 2 255.318 -0.913 20 0 CBADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@@H]1C[NH2+]CC[C@H]1C ZINC001158000166 815497180 /nfs/dbraw/zinc/49/71/80/815497180.db2.gz WJVONBIRERXEST-IJLUTSLNSA-N 2 2 283.372 -0.405 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1CCCC[NH2+]C1 ZINC001157999535 815497212 /nfs/dbraw/zinc/49/72/12/815497212.db2.gz SLAKPXTXDPBEBG-NEPJUHHUSA-N 2 2 283.372 -0.260 20 0 CBADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@@H]1[NH2+]CCS1 ZINC001158000143 815497455 /nfs/dbraw/zinc/49/74/55/815497455.db2.gz VQSHKYNTUYCUOH-RKDXNWHRSA-N 2 2 273.358 -0.988 20 0 CBADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@@H]1CSC[NH2+]1 ZINC001158000495 815497481 /nfs/dbraw/zinc/49/74/81/815497481.db2.gz YKHFSVMFLRPXHW-DTWKUNHWSA-N 2 2 273.358 -0.988 20 0 CBADLP CC(C)(C)N(C[C@@H](O)CO)C(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001158016708 815498998 /nfs/dbraw/zinc/49/89/98/815498998.db2.gz ZOYZHMWHBYWRDZ-GHMZBOCLSA-N 2 2 284.360 -0.740 20 0 CBADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158070170 815500730 /nfs/dbraw/zinc/50/07/30/815500730.db2.gz DHOSVYISPRAYQU-GFCCVEGCSA-N 3 2 293.371 -0.740 20 0 CBADLP Cc1nc(CCN(C)C(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)no1 ZINC001157983572 815494680 /nfs/dbraw/zinc/49/46/80/815494680.db2.gz PNJCSTPCEXZACX-GXFFZTMASA-N 2 2 279.344 -0.670 20 0 CBADLP [NH3+]C1CC2(C1)CCN(C(=O)[C@]13C[NH2+]C[C@H]1CC[NH2+]3)CC2 ZINC001158081654 815502648 /nfs/dbraw/zinc/50/26/48/815502648.db2.gz FVDRLTLGLPLKPC-ABAIWWIYSA-N 3 2 278.400 -0.332 20 0 CBADLP O=C(N1CCC[C@]12CCC[NH2+]C2)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001158159487 815507566 /nfs/dbraw/zinc/50/75/66/815507566.db2.gz CJQCAPRFLVGQAG-QEJZJMRPSA-N 3 2 278.400 -0.318 20 0 CBADLP CS(=O)(=O)c1cccnc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001158203515 815512842 /nfs/dbraw/zinc/51/28/42/815512842.db2.gz BUTSTBUOGUZRSY-SECBINFHSA-N 2 2 296.352 -0.467 20 0 CBADLP COC(=O)[C@@H]([NH3+])CC(=O)N1CCC2(CCC[NH2+]2)CC1 ZINC001158168976 815508455 /nfs/dbraw/zinc/50/84/55/815508455.db2.gz LIBHGPVCRUCKLT-JTQLQIEISA-N 2 2 269.345 -0.379 20 0 CBADLP COC(=O)c1nccnc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001158204676 815514222 /nfs/dbraw/zinc/51/42/22/815514222.db2.gz TXHDMCPBHDGCMF-MRVPVSSYSA-N 2 2 277.284 -0.689 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158192914 815511345 /nfs/dbraw/zinc/51/13/45/815511345.db2.gz HXLFPZQCTNEDRA-SDDRHHMPSA-N 3 2 263.345 -0.747 20 0 CBADLP O=C(c1cnc2n1CC[NH2+]C2)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158230739 815515374 /nfs/dbraw/zinc/51/53/74/815515374.db2.gz AFFMREXNUFMMID-VHSXEESVSA-N 2 2 261.329 -0.437 20 0 CBADLP O=C(N1CC2(C1)CCCO2)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001158235769 815515385 /nfs/dbraw/zinc/51/53/85/815515385.db2.gz QBVIWPWKXGJOFB-GWCFXTLKSA-N 2 2 251.330 -0.671 20 0 CBADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)C1 ZINC001158337243 815521658 /nfs/dbraw/zinc/52/16/58/815521658.db2.gz RHFBTWBTRIFQQB-CYUUQNCZSA-N 3 2 286.379 -0.227 20 0 CBADLP Cc1[nH]c2c([nH+]1)CCN(C(=O)C1(N)CC[NH2+]CC1)CC2 ZINC001158348516 815521786 /nfs/dbraw/zinc/52/17/86/815521786.db2.gz STARWGTVRNPNBM-UHFFFAOYSA-N 2 2 277.372 -0.274 20 0 CBADLP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCn2cc[nH+]c2)CC1 ZINC001118087724 812468243 /nfs/dbraw/zinc/46/82/43/812468243.db2.gz DSELLPJZDAYYRL-ZDUSSCGKSA-N 3 2 267.377 -0.919 20 0 CBADLP CC(C)(C[NH3+])C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001118287057 812519527 /nfs/dbraw/zinc/51/95/27/812519527.db2.gz QKVCHZMCXRCLFH-SECBINFHSA-N 2 2 256.350 -0.963 20 0 CBADLP CC(C)(C[NH3+])C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001118287057 812519529 /nfs/dbraw/zinc/51/95/29/812519529.db2.gz QKVCHZMCXRCLFH-SECBINFHSA-N 2 2 256.350 -0.963 20 0 CBADLP NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC001118287317 812519837 /nfs/dbraw/zinc/51/98/37/812519837.db2.gz VOXPWGLGPIJAIL-WDEREUQCSA-N 2 2 268.361 -0.806 20 0 CBADLP NC(=O)C[N@H+]1CCC[C@@H](NC(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC001118287317 812519840 /nfs/dbraw/zinc/51/98/40/812519840.db2.gz VOXPWGLGPIJAIL-WDEREUQCSA-N 2 2 268.361 -0.806 20 0 CBADLP COC[C@H](CO)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001118325471 812529520 /nfs/dbraw/zinc/52/95/20/812529520.db2.gz IRPTXCOGCFARIS-QWHCGFSZSA-N 2 2 258.362 -0.163 20 0 CBADLP COC(=O)[C@@H]([NH3+])CC(=O)N1C[C@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001158568755 815538369 /nfs/dbraw/zinc/53/83/69/815538369.db2.gz SNXLANSVWWLKFE-AEJSXWLSSA-N 2 2 287.335 -0.588 20 0 CBADLP CN1CC[NH+](CCn2cc(CC[NH+](C)C)nn2)CC1 ZINC001118351790 812536939 /nfs/dbraw/zinc/53/69/39/812536939.db2.gz GORKOTXAWUNFFB-UHFFFAOYSA-N 2 2 266.393 -0.370 20 0 CBADLP [NH3+][C@@H]1CN(C(=O)c2n[nH]c3c2C[NH2+]CC3)CC[C@H]1F ZINC001118505593 812562011 /nfs/dbraw/zinc/56/20/11/812562011.db2.gz GRHRIQZUQUENBO-RKDXNWHRSA-N 2 2 267.308 -0.433 20 0 CBADLP NC(=O)C[NH2+]CCCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001158515017 815536752 /nfs/dbraw/zinc/53/67/52/815536752.db2.gz WMOFBFBCGNCXMD-UHFFFAOYSA-N 2 2 293.371 -0.657 20 0 CBADLP [NH3+]C1([C@H]2CN(C(=O)[C@@H]3C[C@H]4C[NH2+]C[C@H]4[NH2+]3)C[C@H]2CF)CC1 ZINC001158566317 815538155 /nfs/dbraw/zinc/53/81/55/815538155.db2.gz BSOWKIJGDADURX-FPYNETTCSA-N 3 2 296.390 -0.528 20 0 CBADLP COC(=O)[C@@H]([NH3+])CC(=O)N1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001158568756 815538188 /nfs/dbraw/zinc/53/81/88/815538188.db2.gz SNXLANSVWWLKFE-BBBLOLIVSA-N 2 2 287.335 -0.588 20 0 CBADLP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001118575659 812581179 /nfs/dbraw/zinc/58/11/79/812581179.db2.gz KDJZYLSJQAEEFO-LLVKDONJSA-N 2 2 293.371 -0.344 20 0 CBADLP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001118575659 812581181 /nfs/dbraw/zinc/58/11/81/812581181.db2.gz KDJZYLSJQAEEFO-LLVKDONJSA-N 2 2 293.371 -0.344 20 0 CBADLP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001118575660 812581453 /nfs/dbraw/zinc/58/14/53/812581453.db2.gz KDJZYLSJQAEEFO-NSHDSACASA-N 2 2 293.371 -0.344 20 0 CBADLP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001118575660 812581459 /nfs/dbraw/zinc/58/14/59/812581459.db2.gz KDJZYLSJQAEEFO-NSHDSACASA-N 2 2 293.371 -0.344 20 0 CBADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001158567165 815538712 /nfs/dbraw/zinc/53/87/12/815538712.db2.gz FKTJUIFUYOTHIC-JLLWLGSASA-N 3 2 295.362 -0.185 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1C[C@H](CF)[C@@H](C2([NH3+])CC2)C1 ZINC001158579522 815539191 /nfs/dbraw/zinc/53/91/91/815539191.db2.gz UKOARLPRQFVLGZ-NAKRPEOUSA-N 3 2 270.352 -0.932 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1C[C@H](C2([NH3+])CC2)[C@H](CF)C1 ZINC001158579523 815539590 /nfs/dbraw/zinc/53/95/90/815539590.db2.gz UKOARLPRQFVLGZ-RCWTZXSCSA-N 3 2 270.352 -0.932 20 0 CBADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N2C[C@H](C3([NH3+])CC3)[C@H](CF)C2)C1 ZINC001158576609 815539906 /nfs/dbraw/zinc/53/99/06/815539906.db2.gz CCPJKOXRIMNRTF-RCWTZXSCSA-N 3 2 270.352 -0.789 20 0 CBADLP CN(CCOCC[NH3+])C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC001118917986 812661726 /nfs/dbraw/zinc/66/17/26/812661726.db2.gz RNTGYBRELPIUAV-NSHDSACASA-N 2 2 281.360 -0.185 20 0 CBADLP CCN(CC[NH3+])C(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC001118925086 812664612 /nfs/dbraw/zinc/66/46/12/812664612.db2.gz NDSYNNXXNLCEJI-SNVBAGLBSA-N 2 2 279.344 -0.879 20 0 CBADLP C[N@@H+]1CCO[C@H]2CN(C(=O)C[C@H]3CCC[NH2+]C3)C[C@H]21 ZINC001158804470 815547861 /nfs/dbraw/zinc/54/78/61/815547861.db2.gz QFVZYSZMVMLATB-UPJWGTAASA-N 2 2 267.373 -0.083 20 0 CBADLP C[N@H+]1CCO[C@H]2CN(C(=O)C[C@H]3CCC[NH2+]C3)C[C@H]21 ZINC001158804470 815547864 /nfs/dbraw/zinc/54/78/64/815547864.db2.gz QFVZYSZMVMLATB-UPJWGTAASA-N 2 2 267.373 -0.083 20 0 CBADLP N[C@@H](C[NH3+])C(=O)N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001158822431 815549354 /nfs/dbraw/zinc/54/93/54/815549354.db2.gz XJTXGBJKHDMHKC-JTQLQIEISA-N 2 2 290.327 -0.910 20 0 CBADLP [NH3+]C1(CNC(=O)/C=C\C[NH+]2CCOCC2)CCOCC1 ZINC001119300514 812746994 /nfs/dbraw/zinc/74/69/94/812746994.db2.gz XMTNLLBYNIITPS-UPHRSURJSA-N 2 2 283.372 -0.501 20 0 CBADLP CN(CCCn1cc[nH+]c1)C(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001119426955 812781772 /nfs/dbraw/zinc/78/17/72/812781772.db2.gz CECOJVWMJIQUJX-TXEJJXNPSA-N 2 2 293.371 -0.415 20 0 CBADLP C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCC[NH+]1CC=CC1 ZINC001119597308 812825555 /nfs/dbraw/zinc/82/55/55/812825555.db2.gz CDAHXCJNHMZLJN-AAEUAGOBSA-N 2 2 253.346 -0.571 20 0 CBADLP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCC[NH+]1CC=CC1 ZINC001119597311 812826451 /nfs/dbraw/zinc/82/64/51/812826451.db2.gz CDAHXCJNHMZLJN-YPMHNXCESA-N 2 2 253.346 -0.571 20 0 CBADLP CO[C@]1(C[NH2+][C@@H]2CCC[C@H]2[NH3+])CCS(=O)(=O)C1 ZINC001119700873 812872267 /nfs/dbraw/zinc/87/22/67/812872267.db2.gz KIQZWJDUHINURU-MXWKQRLJSA-N 2 2 262.375 -0.341 20 0 CBADLP O[C@@H](C[NH2+]CCCn1cc[nH+]c1)C1(O)CCOCC1 ZINC001120249835 812942406 /nfs/dbraw/zinc/94/24/06/812942406.db2.gz POOJJCOWEAVCFZ-LBPRGKRZSA-N 2 2 269.345 -0.235 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@H](O)C1(O)CCOCC1 ZINC001120376026 812955842 /nfs/dbraw/zinc/95/58/42/812955842.db2.gz IALSFFRTGMKJNX-NEPJUHHUSA-N 2 2 269.345 -0.236 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C[C@@H](O)C1(O)CCOCC1 ZINC001120376027 812955861 /nfs/dbraw/zinc/95/58/61/812955861.db2.gz IALSFFRTGMKJNX-NWDGAFQWSA-N 2 2 269.345 -0.236 20 0 CBADLP O=C(NCCc1[nH]cc[nH+]1)[C@H]1[NH2+]CC12CCOCC2 ZINC001121827373 813078273 /nfs/dbraw/zinc/07/82/73/813078273.db2.gz YZNBXEPBCRNNEL-LLVKDONJSA-N 2 2 264.329 -0.163 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1C[C@H]([NH3+])[C@H]2C[C@H]21 ZINC001121903793 813087811 /nfs/dbraw/zinc/08/78/11/813087811.db2.gz LKWQJINIPQFDCU-OFTGVCEQSA-N 2 2 267.373 -0.193 20 0 CBADLP COCC[N@H+]1CC[C@H](NC(=O)C[C@H]([NH3+])C(F)F)C1 ZINC001121920693 813090542 /nfs/dbraw/zinc/09/05/42/813090542.db2.gz KGQDADVRORMLHV-IUCAKERBSA-N 2 2 265.304 -0.194 20 0 CBADLP COCC[N@@H+]1CC[C@H](NC(=O)C[C@H]([NH3+])C(F)F)C1 ZINC001121920693 813090538 /nfs/dbraw/zinc/09/05/38/813090538.db2.gz KGQDADVRORMLHV-IUCAKERBSA-N 2 2 265.304 -0.194 20 0 CBADLP C[NH2+]C1CC(C(=O)N[C@H](C)C[NH+]2CCN(C)CC2)C1 ZINC001121928363 813090851 /nfs/dbraw/zinc/09/08/51/813090851.db2.gz NVUBYKXENVMASE-PNESKVBLSA-N 2 2 268.405 -0.264 20 0 CBADLP [NH3+][C@H](CO)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC001122039240 813109026 /nfs/dbraw/zinc/10/90/26/813109026.db2.gz FEZJHNNKFWLDFF-VHSXEESVSA-N 2 2 250.302 -0.904 20 0 CBADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC001122067296 813111931 /nfs/dbraw/zinc/11/19/31/813111931.db2.gz CCZAYFUQQAEBOG-GXSJLCMTSA-N 2 2 252.318 -0.307 20 0 CBADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC001122067296 813111932 /nfs/dbraw/zinc/11/19/32/813111932.db2.gz CCZAYFUQQAEBOG-GXSJLCMTSA-N 2 2 252.318 -0.307 20 0 CBADLP C[C@H](O)C[NH2+]CCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001159537116 815579586 /nfs/dbraw/zinc/57/95/86/815579586.db2.gz KPWHOHNEGDFFRD-JTQLQIEISA-N 2 2 254.334 -0.181 20 0 CBADLP C[C@H](O)C[NH2+]CCCNC(=O)CCc1c[nH+]c[nH]1 ZINC001159537116 815579592 /nfs/dbraw/zinc/57/95/92/815579592.db2.gz KPWHOHNEGDFFRD-JTQLQIEISA-N 2 2 254.334 -0.181 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)NCCC[NH2+]CCCO ZINC001159539895 815579900 /nfs/dbraw/zinc/57/99/00/815579900.db2.gz FMMWXCDHSCZVIB-UHFFFAOYSA-N 2 2 254.334 -0.179 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)NCCC[NH2+]CCCO ZINC001159539895 815579903 /nfs/dbraw/zinc/57/99/03/815579903.db2.gz FMMWXCDHSCZVIB-UHFFFAOYSA-N 2 2 254.334 -0.179 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]CCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001159537516 815580097 /nfs/dbraw/zinc/58/00/97/815580097.db2.gz YQZUVHRSKCRCGN-JTQLQIEISA-N 2 2 281.360 -0.427 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]CCCNC(=O)CCc1c[nH+]c[nH]1 ZINC001159537516 815580102 /nfs/dbraw/zinc/58/01/02/815580102.db2.gz YQZUVHRSKCRCGN-JTQLQIEISA-N 2 2 281.360 -0.427 20 0 CBADLP Cn1c[nH+]cc1C1CCN(C(=O)[C@H]([NH3+])CO)CC1 ZINC001122513218 813173410 /nfs/dbraw/zinc/17/34/10/813173410.db2.gz UJERGOZNRBHCFR-SNVBAGLBSA-N 2 2 252.318 -0.554 20 0 CBADLP NC(=O)[C@@H]1CCCN1c1cc(N[C@H]([NH3+])CCC[NH3+])nc[nH+]1 ZINC001159790024 815596968 /nfs/dbraw/zinc/59/69/68/815596968.db2.gz ZUZOJCOTCDSDFS-UWVGGRQHSA-N 3 2 293.375 -0.634 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC001123786313 813272666 /nfs/dbraw/zinc/27/26/66/813272666.db2.gz PLHRBFWLPAQSRA-ZDUSSCGKSA-N 2 2 266.345 -0.465 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC001123786313 813272671 /nfs/dbraw/zinc/27/26/71/813272671.db2.gz PLHRBFWLPAQSRA-ZDUSSCGKSA-N 2 2 266.345 -0.465 20 0 CBADLP CC(C)n1nnnc1C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001124838145 813486355 /nfs/dbraw/zinc/48/63/55/813486355.db2.gz UNPANAVZSIHAFM-LLVKDONJSA-N 2 2 295.391 -0.446 20 0 CBADLP CC(C)n1nnnc1C[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001124838145 813486359 /nfs/dbraw/zinc/48/63/59/813486359.db2.gz UNPANAVZSIHAFM-LLVKDONJSA-N 2 2 295.391 -0.446 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1nncs1 ZINC001124877957 813493359 /nfs/dbraw/zinc/49/33/59/813493359.db2.gz IXMGRHLIFBXXSU-VIFPVBQESA-N 2 2 269.374 -0.162 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1nncs1 ZINC001124877957 813493364 /nfs/dbraw/zinc/49/33/64/813493364.db2.gz IXMGRHLIFBXXSU-VIFPVBQESA-N 2 2 269.374 -0.162 20 0 CBADLP C[C@H]([NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C)c1nnnn1C ZINC001124879128 813493452 /nfs/dbraw/zinc/49/34/52/813493452.db2.gz QFDNLIVCOJPPAS-UWVGGRQHSA-N 2 2 281.364 -0.929 20 0 CBADLP C[C@H]([NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C)c1nnnn1C ZINC001124879128 813493456 /nfs/dbraw/zinc/49/34/56/813493456.db2.gz QFDNLIVCOJPPAS-UWVGGRQHSA-N 2 2 281.364 -0.929 20 0 CBADLP Cc1noc(C)c1C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125214614 813531435 /nfs/dbraw/zinc/53/14/35/813531435.db2.gz VEWFGOAFYUYLOA-CYBMUJFWSA-N 2 2 296.371 -0.172 20 0 CBADLP Cc1noc(C)c1C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125214614 813531442 /nfs/dbraw/zinc/53/14/42/813531442.db2.gz VEWFGOAFYUYLOA-CYBMUJFWSA-N 2 2 296.371 -0.172 20 0 CBADLP Cc1nocc1C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125214044 813531909 /nfs/dbraw/zinc/53/19/09/813531909.db2.gz NTZKLCPPWGKHDA-LBPRGKRZSA-N 2 2 282.344 -0.481 20 0 CBADLP Cc1nocc1C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125214044 813531912 /nfs/dbraw/zinc/53/19/12/813531912.db2.gz NTZKLCPPWGKHDA-LBPRGKRZSA-N 2 2 282.344 -0.481 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2cnns2)C1 ZINC001125220139 813532198 /nfs/dbraw/zinc/53/21/98/813532198.db2.gz CPBASJSWKBHZQA-SNVBAGLBSA-N 2 2 285.373 -0.926 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2cnns2)C1 ZINC001125220139 813532201 /nfs/dbraw/zinc/53/22/01/813532201.db2.gz CPBASJSWKBHZQA-SNVBAGLBSA-N 2 2 285.373 -0.926 20 0 CBADLP CCn1ccnc1C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125213597 813533799 /nfs/dbraw/zinc/53/37/99/813533799.db2.gz IHUGNUUFXIYHFZ-LBPRGKRZSA-N 2 2 295.387 -0.561 20 0 CBADLP CCn1ccnc1C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125213597 813533804 /nfs/dbraw/zinc/53/38/04/813533804.db2.gz IHUGNUUFXIYHFZ-LBPRGKRZSA-N 2 2 295.387 -0.561 20 0 CBADLP Cc1cnc(C[NH2+]CCNC(=O)[C@H]2C[N@H+](C)CCO2)s1 ZINC001125222241 813534608 /nfs/dbraw/zinc/53/46/08/813534608.db2.gz UMIMHTJSEGZCIR-LLVKDONJSA-N 2 2 298.412 -0.012 20 0 CBADLP Cc1cnc(C[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)CCO2)s1 ZINC001125222241 813534615 /nfs/dbraw/zinc/53/46/15/813534615.db2.gz UMIMHTJSEGZCIR-LLVKDONJSA-N 2 2 298.412 -0.012 20 0 CBADLP C[C@H]([NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1)c1cnccn1 ZINC001125223169 813536265 /nfs/dbraw/zinc/53/62/65/813536265.db2.gz YOZLJPYZMRRRTA-AAEUAGOBSA-N 2 2 293.371 -0.426 20 0 CBADLP C[C@H]([NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)c1cnccn1 ZINC001125223169 813536271 /nfs/dbraw/zinc/53/62/71/813536271.db2.gz YOZLJPYZMRRRTA-AAEUAGOBSA-N 2 2 293.371 -0.426 20 0 CBADLP C[C@@H]([NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1)c1cnccn1 ZINC001125223171 813536685 /nfs/dbraw/zinc/53/66/85/813536685.db2.gz YOZLJPYZMRRRTA-DGCLKSJQSA-N 2 2 293.371 -0.426 20 0 CBADLP C[C@@H]([NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1)c1cnccn1 ZINC001125223171 813536697 /nfs/dbraw/zinc/53/66/97/813536697.db2.gz YOZLJPYZMRRRTA-DGCLKSJQSA-N 2 2 293.371 -0.426 20 0 CBADLP CN(C(=O)C[NH2+]CCNC(=O)CCc1[nH]cc[nH+]1)C1CC1 ZINC001126437222 813647433 /nfs/dbraw/zinc/64/74/33/813647433.db2.gz WJWROLNFKNVVOU-UHFFFAOYSA-N 2 2 293.371 -0.331 20 0 CBADLP Cn1ccnc1C[NH2+]CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001126436995 813647692 /nfs/dbraw/zinc/64/76/92/813647692.db2.gz QOOUZAJMOSKKTD-UHFFFAOYSA-N 2 2 276.344 -0.018 20 0 CBADLP CC(C)CNC(=O)C[NH2+]CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001126447353 813647926 /nfs/dbraw/zinc/64/79/26/813647926.db2.gz DFWDWFLRVHYOHW-UHFFFAOYSA-N 2 2 295.387 -0.180 20 0 CBADLP O=C(NCC[NH2+]Cc1cnon1)[C@H]1C[NH+]2CCC1CC2 ZINC001127480088 813733696 /nfs/dbraw/zinc/73/36/96/813733696.db2.gz IJCFRQJFIRJFTF-LBPRGKRZSA-N 2 2 279.344 -0.383 20 0 CBADLP C[C@H](O)C[NH2+]CCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001127772231 813747623 /nfs/dbraw/zinc/74/76/23/813747623.db2.gz FHRUBOIYADSNRB-GXFFZTMASA-N 2 2 295.387 -0.123 20 0 CBADLP C[C@H](O)C[NH2+]CCNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001127772231 813747629 /nfs/dbraw/zinc/74/76/29/813747629.db2.gz FHRUBOIYADSNRB-GXFFZTMASA-N 2 2 295.387 -0.123 20 0 CBADLP C[N@@H+]1CCC[C@H]1c1cc(C(=O)NCC[NH2+]CCO)[nH]n1 ZINC001127772681 813747710 /nfs/dbraw/zinc/74/77/10/813747710.db2.gz JPWSVADCJYUFGJ-LBPRGKRZSA-N 2 2 281.360 -0.512 20 0 CBADLP C[N@H+]1CCC[C@H]1c1cc(C(=O)NCC[NH2+]CCO)[nH]n1 ZINC001127772681 813747714 /nfs/dbraw/zinc/74/77/14/813747714.db2.gz JPWSVADCJYUFGJ-LBPRGKRZSA-N 2 2 281.360 -0.512 20 0 CBADLP CC[C@H]([NH2+]CCNC(=O)CCc1c[nH]c[nH+]1)C(N)=O ZINC001128967459 813812222 /nfs/dbraw/zinc/81/22/22/813812222.db2.gz QZTYQYMHNUHBSK-JTQLQIEISA-N 2 2 267.333 -0.688 20 0 CBADLP CC[C@H]([NH2+]CCNC(=O)CCc1c[nH+]c[nH]1)C(N)=O ZINC001128967459 813812231 /nfs/dbraw/zinc/81/22/31/813812231.db2.gz QZTYQYMHNUHBSK-JTQLQIEISA-N 2 2 267.333 -0.688 20 0 CBADLP C[NH+](C)[C@@H](C(=O)NCC[NH2+]Cc1cnon1)C1CC1 ZINC001129444309 813846254 /nfs/dbraw/zinc/84/62/54/813846254.db2.gz QZONXGKIKUPLOO-LLVKDONJSA-N 2 2 267.333 -0.384 20 0 CBADLP CC(C)C[C@@H](C(=O)NCC[NH2+]CC(N)=O)n1cc[nH+]c1 ZINC001130001433 813894463 /nfs/dbraw/zinc/89/44/63/813894463.db2.gz ODMMMNSILAQXHF-NSHDSACASA-N 2 2 281.360 -0.339 20 0 CBADLP Cc1cn(C(C)(C)C(=O)NCC[NH2+][C@@H]2CCNC2=O)c[nH+]1 ZINC001130164929 813913439 /nfs/dbraw/zinc/91/34/39/813913439.db2.gz IPIHJLQDESCCJB-LLVKDONJSA-N 2 2 293.371 -0.479 20 0 CBADLP Cc1ncc(C[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)o1 ZINC001130182400 813914120 /nfs/dbraw/zinc/91/41/20/813914120.db2.gz GMZAUFHDOHUHIS-ZWNOBZJWSA-N 2 2 296.371 -0.092 20 0 CBADLP Cc1ncc(C[NH2+]CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)o1 ZINC001130182400 813914130 /nfs/dbraw/zinc/91/41/30/813914130.db2.gz GMZAUFHDOHUHIS-ZWNOBZJWSA-N 2 2 296.371 -0.092 20 0 CBADLP Cc1cn(C(C)(C)C(=O)NCC[NH2+]CCO)c[nH+]1 ZINC001130167083 813914874 /nfs/dbraw/zinc/91/48/74/813914874.db2.gz NWOHEKQEBUMNAK-UHFFFAOYSA-N 2 2 254.334 -0.375 20 0 CBADLP CC[C@H](C(=O)NCC[NH2+]Cc1nc(C)no1)[NH+](C)C ZINC001130197006 813917090 /nfs/dbraw/zinc/91/70/90/813917090.db2.gz AQYVKJXHLBATMW-SNVBAGLBSA-N 2 2 269.349 -0.076 20 0 CBADLP O=C(NCC[NH2+][C@H]1CCNC1=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001130405054 813937105 /nfs/dbraw/zinc/93/71/05/813937105.db2.gz VZZBGQSTURZRPT-PWSUYJOCSA-N 2 2 291.355 -0.960 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001130403733 813937395 /nfs/dbraw/zinc/93/73/95/813937395.db2.gz BHMZEZWUGMJTNO-GHMZBOCLSA-N 2 2 293.371 -0.714 20 0 CBADLP O=C(NCC[NH2+][C@@H]1CCNC1=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001130480792 813943770 /nfs/dbraw/zinc/94/37/70/813943770.db2.gz CRDZSSHGAMJGOJ-GHMZBOCLSA-N 2 2 291.355 -0.960 20 0 CBADLP COC[C@H](O)C[NH2+]CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001130477499 813944033 /nfs/dbraw/zinc/94/40/33/813944033.db2.gz FCTNZMIJXBFLNK-VXGBXAGGSA-N 2 2 296.371 -0.841 20 0 CBADLP C[C@@H](O)C[NH2+]CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001130483934 813944395 /nfs/dbraw/zinc/94/43/95/813944395.db2.gz AJPWDFFWVUMMIC-MNOVXSKESA-N 2 2 266.345 -0.468 20 0 CBADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)NCC[NH2+][C@@H](C)C(N)=O)C2 ZINC001130491273 813945450 /nfs/dbraw/zinc/94/54/50/813945450.db2.gz OWSZUCGNQYRVMB-WPRPVWTQSA-N 2 2 293.371 -0.597 20 0 CBADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)NCC[NH2+][C@@H](C)C(N)=O)CC2 ZINC001130491273 813945454 /nfs/dbraw/zinc/94/54/54/813945454.db2.gz OWSZUCGNQYRVMB-WPRPVWTQSA-N 2 2 293.371 -0.597 20 0 CBADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC[NH2+]C[C@@H](C)O)C2 ZINC001130491656 813945492 /nfs/dbraw/zinc/94/54/92/813945492.db2.gz YBMCLXVBIOLIKV-MWLCHTKSSA-N 2 2 280.372 -0.090 20 0 CBADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)NCC[NH2+]C[C@@H](C)O)CC2 ZINC001130491656 813945498 /nfs/dbraw/zinc/94/54/98/813945498.db2.gz YBMCLXVBIOLIKV-MWLCHTKSSA-N 2 2 280.372 -0.090 20 0 CBADLP CN(C)C(=O)C[NH2+]CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001130488800 813946202 /nfs/dbraw/zinc/94/62/02/813946202.db2.gz XDQTZHRGXZXSMT-NSHDSACASA-N 2 2 293.371 -0.761 20 0 CBADLP COC[C@H](O)C[NH2+]CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001130488152 813946498 /nfs/dbraw/zinc/94/64/98/813946498.db2.gz NFZXETVWJADUGK-DGCLKSJQSA-N 2 2 296.371 -0.841 20 0 CBADLP O=C(NCC[NH2+]CCO)[C@H]1CCc2c[nH+]cn2C1 ZINC001130488591 813946622 /nfs/dbraw/zinc/94/66/22/813946622.db2.gz RZSFSRQRLOMQQQ-JTQLQIEISA-N 2 2 252.318 -0.856 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cccc2[nH+]ccn21 ZINC001131270732 814015745 /nfs/dbraw/zinc/01/57/45/814015745.db2.gz RIXNBJHXCTVFOC-JTQLQIEISA-N 2 2 289.339 -0.212 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NCC[NH2+]Cc1cnn(C)n1 ZINC001131380222 814026938 /nfs/dbraw/zinc/02/69/38/814026938.db2.gz IACJPDXQWSNWAY-UHFFFAOYSA-N 2 2 277.332 -0.774 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)NCC[NH2+]Cc1ccnn1C ZINC001131639253 814049374 /nfs/dbraw/zinc/04/93/74/814049374.db2.gz DVVHPJJTPBOTNY-UHFFFAOYSA-N 2 2 290.371 -0.008 20 0 CBADLP Cn1ccnc1C[NH2+]CCNC(=O)CCn1cc[nH+]c1 ZINC001132079769 814099585 /nfs/dbraw/zinc/09/95/85/814099585.db2.gz LJEZOSTYQDJBPU-UHFFFAOYSA-N 2 2 276.344 -0.087 20 0 CBADLP CN1CC[C@@H]([NH2+]CCNC(=O)CCn2cc[nH+]c2)C1=O ZINC001132082829 814102606 /nfs/dbraw/zinc/10/26/06/814102606.db2.gz WZTFLCVTNWNZRT-LLVKDONJSA-N 2 2 279.344 -0.790 20 0 CBADLP Cc1nonc1C[NH2+]CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132993460 814207052 /nfs/dbraw/zinc/20/70/52/814207052.db2.gz VIRXHGNEBICUML-UHFFFAOYSA-N 2 2 281.360 -0.074 20 0 CBADLP C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C[NH2+]CC(N)=O ZINC001133194457 814226191 /nfs/dbraw/zinc/22/61/91/814226191.db2.gz GAMCDNOVTDNCEO-GHMZBOCLSA-N 2 2 293.371 -0.488 20 0 CBADLP C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C[NH2+]CC(N)=O ZINC001133354323 814248002 /nfs/dbraw/zinc/24/80/02/814248002.db2.gz OQQCBMPPVOQGRQ-RYUDHWBXSA-N 2 2 293.371 -0.557 20 0 CBADLP CC(C)[C@H](C(=O)NCC[NH2+]Cc1cnon1)[NH+](C)C ZINC001133419695 814251549 /nfs/dbraw/zinc/25/15/49/814251549.db2.gz URASZQOKKRHSAF-LLVKDONJSA-N 2 2 269.349 -0.138 20 0 CBADLP CC(C)[C@H](C(=O)NCC[NH2+]Cc1nnnn1C)[NH+](C)C ZINC001133415990 814251762 /nfs/dbraw/zinc/25/17/62/814251762.db2.gz XPQJUXRCGYHGLB-LLVKDONJSA-N 2 2 283.380 -0.998 20 0 CBADLP CNC(=O)C[NH2+]CCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001133659631 814283324 /nfs/dbraw/zinc/28/33/24/814283324.db2.gz FDUQRFWZQCCDMX-VIFPVBQESA-N 2 2 279.344 -0.719 20 0 CBADLP C[C@@H](O)C[NH2+]CCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001133664452 814283504 /nfs/dbraw/zinc/28/35/04/814283504.db2.gz RHBFPPLNSHKPHI-NXEZZACHSA-N 2 2 266.345 -0.084 20 0 CBADLP O=C(NCC[NH2+]CCO)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001133667166 814283541 /nfs/dbraw/zinc/28/35/41/814283541.db2.gz ANPNFRWYIKBDOZ-SECBINFHSA-N 2 2 252.318 -0.472 20 0 CBADLP COC[C@H](O)C[NH2+]CCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001133664749 814283864 /nfs/dbraw/zinc/28/38/64/814283864.db2.gz YUBLHRGFORORKY-MNOVXSKESA-N 2 2 296.371 -0.457 20 0 CBADLP CC[C@H]([NH2+]CCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21)C(N)=O ZINC001133663080 814284505 /nfs/dbraw/zinc/28/45/05/814284505.db2.gz BVORBLAKQSNCIW-ZJUUUORDSA-N 2 2 293.371 -0.201 20 0 CBADLP CN(C)C(=O)C[NH2+]CCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001133664267 814284835 /nfs/dbraw/zinc/28/48/35/814284835.db2.gz MZRRNHWFHOLKKY-SNVBAGLBSA-N 2 2 293.371 -0.376 20 0 CBADLP C[C@H]1CC[N@H+](CC(=O)NCC[NH2+]CCS(C)(=O)=O)C1 ZINC001133846151 814307217 /nfs/dbraw/zinc/30/72/17/814307217.db2.gz UYBXDPKQHWXGFT-NSHDSACASA-N 2 2 291.417 -0.921 20 0 CBADLP C[C@H]1CC[N@@H+](CC(=O)NCC[NH2+]CCS(C)(=O)=O)C1 ZINC001133846151 814307224 /nfs/dbraw/zinc/30/72/24/814307224.db2.gz UYBXDPKQHWXGFT-NSHDSACASA-N 2 2 291.417 -0.921 20 0 CBADLP C[C@@H]1CC[N@H+](CC(=O)NCC[NH2+]Cc2cnon2)C1 ZINC001133846193 814307479 /nfs/dbraw/zinc/30/74/79/814307479.db2.gz VQKOJCRRCSMVPZ-SNVBAGLBSA-N 2 2 267.333 -0.383 20 0 CBADLP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH2+]Cc2cnon2)C1 ZINC001133846193 814307487 /nfs/dbraw/zinc/30/74/87/814307487.db2.gz VQKOJCRRCSMVPZ-SNVBAGLBSA-N 2 2 267.333 -0.383 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]Cc1cnsn1 ZINC001133862897 814310485 /nfs/dbraw/zinc/31/04/85/814310485.db2.gz HWLHFWYOHQRLRZ-MWLCHTKSSA-N 2 2 283.401 -0.058 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]Cc1cnsn1 ZINC001133862897 814310493 /nfs/dbraw/zinc/31/04/93/814310493.db2.gz HWLHFWYOHQRLRZ-MWLCHTKSSA-N 2 2 283.401 -0.058 20 0 CBADLP C[C@@H]([NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(N)=O ZINC001134046248 814346104 /nfs/dbraw/zinc/34/61/04/814346104.db2.gz WYVRHCAMDZYVPP-OPRDCNLKSA-N 2 2 279.344 -0.897 20 0 CBADLP C[C@@H](O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001134049883 814346527 /nfs/dbraw/zinc/34/65/27/814346527.db2.gz SOPXALCIMPDBPG-GMTAPVOTSA-N 2 2 266.345 -0.390 20 0 CBADLP C[C@H]([NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(N)=O ZINC001134046247 814347340 /nfs/dbraw/zinc/34/73/40/814347340.db2.gz WYVRHCAMDZYVPP-IVZWLZJFSA-N 2 2 279.344 -0.897 20 0 CBADLP C[C@H](C[C@@H](C)[NH2+]CC(N)=O)NC(=O)CCc1[nH]cc[nH+]1 ZINC001134227405 814364184 /nfs/dbraw/zinc/36/41/84/814364184.db2.gz GPRWZMHXFAMKCL-NXEZZACHSA-N 2 2 281.360 -0.300 20 0 CBADLP C[C@H]([NH2+]CCNC(=O)Cc1c[nH]c[nH+]1)C(=O)N(C)C ZINC001134397436 814380076 /nfs/dbraw/zinc/38/00/76/814380076.db2.gz NCOTUVCYUXVLKO-VIFPVBQESA-N 2 2 267.333 -0.865 20 0 CBADLP C[C@@H]([NH2+]CCNC(=O)Cc1c[nH]c[nH+]1)C(=O)N(C)C ZINC001134397434 814380232 /nfs/dbraw/zinc/38/02/32/814380232.db2.gz NCOTUVCYUXVLKO-SECBINFHSA-N 2 2 267.333 -0.865 20 0 CBADLP CCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001134400297 814381434 /nfs/dbraw/zinc/38/14/34/814381434.db2.gz JDKKNJXKSQVVGN-LLVKDONJSA-N 2 2 295.387 -0.037 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NCC[NH2+]CCn1cccn1 ZINC001134397864 814381637 /nfs/dbraw/zinc/38/16/37/814381637.db2.gz WWLHEGFUAVZUEC-UHFFFAOYSA-N 2 2 262.317 -0.445 20 0 CBADLP CCN(C)C(=O)C[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001134406852 814382070 /nfs/dbraw/zinc/38/20/70/814382070.db2.gz DZZONEHOMNYZHZ-UHFFFAOYSA-N 2 2 267.333 -0.864 20 0 CBADLP CC(C)NC(=O)C[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001134407151 814382233 /nfs/dbraw/zinc/38/22/33/814382233.db2.gz UFECIYMEYOVYIO-UHFFFAOYSA-N 2 2 267.333 -0.817 20 0 CBADLP Cn1cc(C[NH2+]CCNC(=O)Cc2c[nH]c[nH+]2)cn1 ZINC001134406994 814383757 /nfs/dbraw/zinc/38/37/57/814383757.db2.gz LRCJWPZXMDGKOA-UHFFFAOYSA-N 2 2 262.317 -0.408 20 0 CBADLP CC[C@@H]([NH2+]CCNC(=O)C[C@@H](C)n1cc[nH+]c1)C(N)=O ZINC001134517679 814391548 /nfs/dbraw/zinc/39/15/48/814391548.db2.gz ORKGIGQGIWIOFZ-GHMZBOCLSA-N 2 2 281.360 -0.196 20 0 CBADLP COCC[NH2+]CCNC(=O)C1([NH+]2CCOCC2)CCCC1 ZINC001134619706 814400269 /nfs/dbraw/zinc/40/02/69/814400269.db2.gz ZLVJRDJKBVFEGU-UHFFFAOYSA-N 2 2 299.415 -0.016 20 0 CBADLP CCN(C)C(=O)C[NH2+]CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001135071901 814434589 /nfs/dbraw/zinc/43/45/89/814434589.db2.gz LONKZRNCTJXWHK-NSHDSACASA-N 2 2 295.387 -0.228 20 0 CBADLP C[C@@H]([NH2+]CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C(=O)N(C)C ZINC001135079632 814434931 /nfs/dbraw/zinc/43/49/31/814434931.db2.gz BAJFHDMJYULQCU-WDEREUQCSA-N 2 2 295.387 -0.229 20 0 CBADLP C[C@@H]([NH2+]CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C(=O)N(C)C ZINC001135079632 814434935 /nfs/dbraw/zinc/43/49/35/814434935.db2.gz BAJFHDMJYULQCU-WDEREUQCSA-N 2 2 295.387 -0.229 20 0 CBADLP CCN(C)C(=O)C[NH2+]CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001135071900 814435456 /nfs/dbraw/zinc/43/54/56/814435456.db2.gz LONKZRNCTJXWHK-LLVKDONJSA-N 2 2 295.387 -0.228 20 0 CBADLP COC[C@H](O)C[NH2+]CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001135079645 814435888 /nfs/dbraw/zinc/43/58/88/814435888.db2.gz BKJOIZJOBPBMHK-CMPLNLGQSA-N 2 2 284.360 -0.699 20 0 CBADLP COC[C@H](O)C[NH2+]CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001135079645 814435892 /nfs/dbraw/zinc/43/58/92/814435892.db2.gz BKJOIZJOBPBMHK-CMPLNLGQSA-N 2 2 284.360 -0.699 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+]CC(=O)N1CCC1 ZINC001135071534 814436145 /nfs/dbraw/zinc/43/61/45/814436145.db2.gz HAGSZUCHEZZKHN-LLVKDONJSA-N 2 2 293.371 -0.474 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+][C@H](C)C(N)=O ZINC001135071358 814436231 /nfs/dbraw/zinc/43/62/31/814436231.db2.gz FDEPYCLREWPAIJ-RKDXNWHRSA-N 2 2 267.333 -0.832 20 0 CBADLP CC[NH+](CC)CC(=O)NCC[NH2+]Cc1nc(C)no1 ZINC001135508756 814479424 /nfs/dbraw/zinc/47/94/24/814479424.db2.gz YYJJOXUHQAPGNS-UHFFFAOYSA-N 2 2 269.349 -0.074 20 0 CBADLP C[C@H](C[C@@H](C)[NH2+]CC(=O)N(C)C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001135552239 814490712 /nfs/dbraw/zinc/49/07/12/814490712.db2.gz CKGHGUHSBQZSKL-GHMZBOCLSA-N 2 2 295.387 -0.087 20 0 CBADLP O=C([C@@H]1COCC[NH2+]1)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001160155233 815610936 /nfs/dbraw/zinc/61/09/36/815610936.db2.gz GYMQYUVLQHIDLZ-MJBXVCDLSA-N 2 2 295.383 -0.704 20 0 CBADLP O=C([C@@H]1COCC[NH2+]1)N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001160155233 815610939 /nfs/dbraw/zinc/61/09/39/815610939.db2.gz GYMQYUVLQHIDLZ-MJBXVCDLSA-N 2 2 295.383 -0.704 20 0 CBADLP CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001135580385 814495097 /nfs/dbraw/zinc/49/50/97/814495097.db2.gz NOMGPJPCABARRQ-WDEREUQCSA-N 2 2 295.387 -0.039 20 0 CBADLP CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001135580383 814495859 /nfs/dbraw/zinc/49/58/59/814495859.db2.gz NOMGPJPCABARRQ-MNOVXSKESA-N 2 2 295.387 -0.039 20 0 CBADLP C[C@@H](O)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001160326935 815616813 /nfs/dbraw/zinc/61/68/13/815616813.db2.gz RHGRLQPLRSCUFH-GMTAPVOTSA-N 2 2 266.345 -0.010 20 0 CBADLP C[C@@H](O)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001160326935 815616817 /nfs/dbraw/zinc/61/68/17/815616817.db2.gz RHGRLQPLRSCUFH-GMTAPVOTSA-N 2 2 266.345 -0.010 20 0 CBADLP O=C(NCCC[NH2+]CCCO)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001160333182 815617311 /nfs/dbraw/zinc/61/73/11/815617311.db2.gz YHRTXEYZLSLMMZ-GHMZBOCLSA-N 2 2 266.345 -0.009 20 0 CBADLP O=C(NCCC[NH2+]CCCO)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001160333182 815617319 /nfs/dbraw/zinc/61/73/19/815617319.db2.gz YHRTXEYZLSLMMZ-GHMZBOCLSA-N 2 2 266.345 -0.009 20 0 CBADLP CC(C)N(C)C(=O)C[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001135755487 814519326 /nfs/dbraw/zinc/51/93/26/814519326.db2.gz OYAFSWPQKNCCCL-UHFFFAOYSA-N 2 2 281.360 -0.475 20 0 CBADLP CN(CC1CC1)C(=O)C[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001135754638 814520284 /nfs/dbraw/zinc/52/02/84/814520284.db2.gz FVDKCAPDSZVDEM-UHFFFAOYSA-N 2 2 293.371 -0.474 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NCC[NH2+]CCCO[C@@H]1CCOC1 ZINC001135760641 814521382 /nfs/dbraw/zinc/52/13/82/814521382.db2.gz RLPDGBSSNKBUJX-GFCCVEGCSA-N 2 2 296.371 -0.146 20 0 CBADLP CC[C@@H](C)NC(=O)[C@H](C)[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001135766564 814521902 /nfs/dbraw/zinc/52/19/02/814521902.db2.gz YFPYIGXSPGFMLR-MNOVXSKESA-N 2 2 295.387 -0.039 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NCC[NH2+]CCOC[C@H]1CCCO1 ZINC001135760076 814522195 /nfs/dbraw/zinc/52/21/95/814522195.db2.gz IIIDHBBRQSXSPF-GFCCVEGCSA-N 2 2 296.371 -0.146 20 0 CBADLP CC(C)N1CC[C@@H]([NH2+]CCNC(=O)Cc2[nH]cc[nH+]2)C1=O ZINC001135760210 814522412 /nfs/dbraw/zinc/52/24/12/814522412.db2.gz JXUQAWNBLFNMEV-LLVKDONJSA-N 2 2 293.371 -0.333 20 0 CBADLP C[C@H](C[C@@H](C)[NH2+]CC(N)=O)NC(=O)Cc1c[nH+]cn1C ZINC001135944242 814539071 /nfs/dbraw/zinc/53/90/71/814539071.db2.gz HQDJUUCPTWTUJY-NXEZZACHSA-N 2 2 281.360 -0.679 20 0 CBADLP CNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001136032361 814548201 /nfs/dbraw/zinc/54/82/01/814548201.db2.gz ZSGYCCYIJNRJDJ-ZJUUUORDSA-N 2 2 295.387 -0.120 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(N)=O ZINC001136031135 814548427 /nfs/dbraw/zinc/54/84/27/814548427.db2.gz GGIIVWFMCUBNKM-DTWKUNHWSA-N 2 2 281.360 -0.381 20 0 CBADLP COC[C@]12CCCO[C@H]1CCN(C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])C2 ZINC001159635575 815581870 /nfs/dbraw/zinc/58/18/70/815581870.db2.gz PBYXEIAVJIKYTO-PWNZVWSESA-N 2 2 297.399 -0.423 20 0 CBADLP COC[C@@]12CCCO[C@H]1CCN(C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)C2 ZINC001159625711 815582654 /nfs/dbraw/zinc/58/26/54/815582654.db2.gz ZMFSAOIVSUQSDD-OSFYFWSMSA-N 2 2 297.399 -0.280 20 0 CBADLP CC[N@H+](C)CCC(=O)NCC[NH2+]Cc1cnon1 ZINC001146705117 814844251 /nfs/dbraw/zinc/84/42/51/814844251.db2.gz LUXBUWMKWYBWBU-UHFFFAOYSA-N 2 2 255.322 -0.383 20 0 CBADLP CC[N@@H+](C)CCC(=O)NCC[NH2+]Cc1cnon1 ZINC001146705117 814844253 /nfs/dbraw/zinc/84/42/53/814844253.db2.gz LUXBUWMKWYBWBU-UHFFFAOYSA-N 2 2 255.322 -0.383 20 0 CBADLP CNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001146772107 814846813 /nfs/dbraw/zinc/84/68/13/814846813.db2.gz QFBQLMFHBVXDCX-WDEREUQCSA-N 2 2 281.360 -0.498 20 0 CBADLP C[C@H](C[C@@H](C)[NH2+]CC(=O)N(C)C)NC(=O)Cn1cc[nH+]c1 ZINC001146760470 814846929 /nfs/dbraw/zinc/84/69/29/814846929.db2.gz ZLSJPLINQPSUEH-VXGBXAGGSA-N 2 2 295.387 -0.156 20 0 CBADLP C[C@H](C[C@H](C)NC(=O)Cn1cc[nH+]c1)[NH2+]CC(=O)N(C)C ZINC001146760467 814847175 /nfs/dbraw/zinc/84/71/75/814847175.db2.gz ZLSJPLINQPSUEH-NEPJUHHUSA-N 2 2 295.387 -0.156 20 0 CBADLP Cc1nonc1C[NH2+]CCNC(=O)COCC[NH+](C)C ZINC001147842359 814919452 /nfs/dbraw/zinc/91/94/52/814919452.db2.gz UKMXINDYUBNQGD-UHFFFAOYSA-N 2 2 285.348 -0.838 20 0 CBADLP CC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)Cc1c[nH+]cn1C ZINC001147871969 814920874 /nfs/dbraw/zinc/92/08/74/814920874.db2.gz VEAWFOLKKNYOPW-LLVKDONJSA-N 2 2 295.387 -0.417 20 0 CBADLP C[C@H](O)CCC[NH2+]CCNC(=O)Cc1c[nH+]cn1C ZINC001147871616 814920990 /nfs/dbraw/zinc/92/09/90/814920990.db2.gz FCRYWIORQVNSFH-NSHDSACASA-N 2 2 268.361 -0.171 20 0 CBADLP CCN1CC[C@@H]([NH2+]CCNC(=O)Cc2c[nH+]cn2C)C1=O ZINC001147877358 814922075 /nfs/dbraw/zinc/92/20/75/814922075.db2.gz IIXIBYULZYRFDT-GFCCVEGCSA-N 2 2 293.371 -0.711 20 0 CBADLP CN(CC1CC[NH+](C)CC1)C(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160454332 815624044 /nfs/dbraw/zinc/62/40/44/815624044.db2.gz MNTWOIRZZPXTHB-ZFWWWQNUSA-N 3 2 280.416 -0.262 20 0 CBADLP C[C@@H]1C(=O)NCCN1C(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001160451358 815624065 /nfs/dbraw/zinc/62/40/65/815624065.db2.gz MSGFKQHXTJOQFA-SKDRFNHKSA-N 2 2 276.340 -0.394 20 0 CBADLP COCCN(C(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2)C(C)C ZINC001160462831 815625606 /nfs/dbraw/zinc/62/56/06/815625606.db2.gz AMNNCBBQXDUXDK-AAEUAGOBSA-N 2 2 255.362 -0.179 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCNC(=O)C1(C)C ZINC001160476238 815626138 /nfs/dbraw/zinc/62/61/38/815626138.db2.gz CPHCGKVSFIRJHS-JTQLQIEISA-N 2 2 279.344 -0.973 20 0 CBADLP Cc1cc(CN(C)C(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)n(C)n1 ZINC001160475427 815627008 /nfs/dbraw/zinc/62/70/08/815627008.db2.gz OGBPCVNHMWAVHL-SMDDNHRTSA-N 2 2 277.372 -0.362 20 0 CBADLP CC[NH+](CC)C1CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])CC1 ZINC001160482210 815627801 /nfs/dbraw/zinc/62/78/01/815627801.db2.gz AWSDZIJUZSJAPG-STQMWFEESA-N 3 2 268.405 -0.134 20 0 CBADLP CC[NH+](CC)C1CCN(C(=O)[C@@H]([NH3+])Cc2nn[nH]n2)CC1 ZINC001160477868 815628527 /nfs/dbraw/zinc/62/85/27/815628527.db2.gz FMDJKKPJFBTELI-NSHDSACASA-N 2 2 295.391 -0.598 20 0 CBADLP CN(C)C(=O)CN(C)C(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001160503730 815631031 /nfs/dbraw/zinc/63/10/31/815631031.db2.gz DJDDOUKFQCAGTC-GFCCVEGCSA-N 2 2 278.356 -0.195 20 0 CBADLP CN(C)C(=O)CN(C)C(=O)[C@H]1CCC[N@@H+]([C@@H]2CC[NH2+]C2)C1 ZINC001160505253 815631576 /nfs/dbraw/zinc/63/15/76/815631576.db2.gz UHZSSAGGXFFOQN-QWHCGFSZSA-N 2 2 296.415 -0.393 20 0 CBADLP CN(C)C(=O)CN(C)C(=O)[C@H]1CCC[N@H+]([C@@H]2CC[NH2+]C2)C1 ZINC001160505253 815631581 /nfs/dbraw/zinc/63/15/81/815631581.db2.gz UHZSSAGGXFFOQN-QWHCGFSZSA-N 2 2 296.415 -0.393 20 0 CBADLP Cn1ncc2c1CN(C(=O)[C@@]13CC[C@@H]([NH2+]1)[C@H]([NH3+])C3)C2 ZINC001160565537 815638846 /nfs/dbraw/zinc/63/88/46/815638846.db2.gz ROILOGWXDMIKRM-BREBYQMCSA-N 2 2 261.329 -0.516 20 0 CBADLP Cn1ncc2c1CN(C(=O)[C@@]13C[NH2+]C[C@H]1CC[NH2+]3)C2 ZINC001160565191 815638996 /nfs/dbraw/zinc/63/89/96/815638996.db2.gz NXGSEHVQWNJNAR-ZWNOBZJWSA-N 2 2 261.329 -0.786 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1Cc2cnn(C)c2C1 ZINC001160564689 815639084 /nfs/dbraw/zinc/63/90/84/815639084.db2.gz JYIZYBUYZSALNQ-NSHDSACASA-N 2 2 274.328 -0.434 20 0 CBADLP C[NH+](C)C1(C)CN(C(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)C1 ZINC001160644509 815650144 /nfs/dbraw/zinc/65/01/44/815650144.db2.gz FETBGTNDRLYDFL-GXFFZTMASA-N 3 2 252.362 -0.900 20 0 CBADLP CN(Cc1ccon1)C(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160689468 815656744 /nfs/dbraw/zinc/65/67/44/815656744.db2.gz XDALWHPWEZPNLV-JOYOIKCWSA-N 2 2 250.302 -0.416 20 0 CBADLP CN(CCC1OCCO1)C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001160683066 815657404 /nfs/dbraw/zinc/65/74/04/815657404.db2.gz KKBAQAGKZOZCCT-JTQLQIEISA-N 2 2 268.317 -0.499 20 0 CBADLP CN(Cc1ccon1)C(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160689471 815657439 /nfs/dbraw/zinc/65/74/39/815657439.db2.gz XDALWHPWEZPNLV-SKDRFNHKSA-N 2 2 250.302 -0.416 20 0 CBADLP COC(CN(C)C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)OC ZINC001160684678 815657791 /nfs/dbraw/zinc/65/77/91/815657791.db2.gz YPHWVRIVJXCGHO-VIFPVBQESA-N 2 2 256.306 -0.643 20 0 CBADLP CCN(CCn1cccn1)C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001160693134 815658418 /nfs/dbraw/zinc/65/84/18/815658418.db2.gz JVLJKWCINRZOKE-RWMBFGLXSA-N 2 2 277.372 -0.319 20 0 CBADLP CN(C[C@@H]1CCC[NH2+]C1)C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001160695791 815658550 /nfs/dbraw/zinc/65/85/50/815658550.db2.gz QAPTWVIVCSMXLV-MROQNXINSA-N 3 2 266.389 -0.606 20 0 CBADLP CN(C[C@@H]1CCC[NH2+]C1)C(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160695649 815659189 /nfs/dbraw/zinc/65/91/89/815659189.db2.gz NYPKHXPUUVMDOR-DYEKYZERSA-N 3 2 266.389 -0.604 20 0 CBADLP O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001160693421 815659366 /nfs/dbraw/zinc/65/93/66/815659366.db2.gz MIXWHNNRCIZYCW-HBNTYKKESA-N 2 2 264.329 -0.162 20 0 CBADLP Cn1cnnc1C1CCN(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)CC1 ZINC001160706003 815661695 /nfs/dbraw/zinc/66/16/95/815661695.db2.gz URHAGHMIDVIPKJ-MNOVXSKESA-N 2 2 278.360 -0.790 20 0 CBADLP C[C@@H]1CO[C@@H]2CN(C(=O)[C@@]34C[NH2+]C[C@H]3CC[NH2+]4)C[C@H]12 ZINC001160756648 815667372 /nfs/dbraw/zinc/66/73/72/815667372.db2.gz TZZQPUBLPJQBQX-CBLPJQPBSA-N 2 2 265.357 -0.569 20 0 CBADLP CCN(CC(C)(C)O)C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001160755333 815667382 /nfs/dbraw/zinc/66/73/82/815667382.db2.gz DMZIFODJSQREHL-NSHDSACASA-N 2 2 268.361 -0.091 20 0 CBADLP C[C@@H]1CO[C@@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3CC[NH2+]4)C[C@H]12 ZINC001160756654 815668677 /nfs/dbraw/zinc/66/86/77/815668677.db2.gz TZZQPUBLPJQBQX-SKENRDBWSA-N 2 2 265.357 -0.569 20 0 CBADLP NC(=O)NCCC[C@@H]([NH3+])C(=O)N1CCc2[nH+]ccn2CC1 ZINC001160760429 815669051 /nfs/dbraw/zinc/66/90/51/815669051.db2.gz LUMSNURXYZAISS-SNVBAGLBSA-N 2 2 294.359 -0.956 20 0 CBADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CCc2nccn2CC1 ZINC001160760337 815669361 /nfs/dbraw/zinc/66/93/61/815669361.db2.gz KBLQBWIWOHGQAE-SDDRHHMPSA-N 2 2 275.356 -0.782 20 0 CBADLP Cc1cn(C(C)(C)C(=O)NCCC[NH2+][C@@H](C)C(N)=O)c[nH+]1 ZINC001160820821 815674654 /nfs/dbraw/zinc/67/46/54/815674654.db2.gz WEYYNNWMQMKXFK-NSHDSACASA-N 2 2 295.387 -0.104 20 0 CBADLP Cc1cn(C(C)(C)C(=O)NCCC[NH2+][C@H](C)C(N)=O)c[nH+]1 ZINC001160820820 815675052 /nfs/dbraw/zinc/67/50/52/815675052.db2.gz WEYYNNWMQMKXFK-LLVKDONJSA-N 2 2 295.387 -0.104 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CCc2nc(C3CC3)ncc2C1 ZINC001160835064 815676602 /nfs/dbraw/zinc/67/66/02/815676602.db2.gz OGCVBGITCOYGJL-RYUDHWBXSA-N 2 2 287.367 -0.215 20 0 CBADLP COC(=O)[C@@H]([NH3+])CC(=O)N1C[C@@H]([NH3+])CC(F)(F)C1 ZINC001160969225 815693541 /nfs/dbraw/zinc/69/35/41/815693541.db2.gz XPPMXHXTMLBTJZ-BQBZGAKWSA-N 2 2 265.260 -0.928 20 0 CBADLP CCn1nnc2c1[C@@H](C(=O)N1CC[NH2+][C@H](C)C1)C[NH2+]C2 ZINC001161014315 815694485 /nfs/dbraw/zinc/69/44/85/815694485.db2.gz AHAAAZBIDOXSJE-ZJUUUORDSA-N 2 2 278.360 -0.695 20 0 CBADLP CC(C)OC1CN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)C1 ZINC001161010193 815694718 /nfs/dbraw/zinc/69/47/18/815694718.db2.gz NPQNXAWDAXFTSR-ZMLRMANQSA-N 2 2 253.346 -0.428 20 0 CBADLP NC(=S)C1CCN(C(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)CC1 ZINC001161031213 815699347 /nfs/dbraw/zinc/69/93/47/815699347.db2.gz WTJFPBYKTUWYFR-JTQLQIEISA-N 2 2 281.385 -0.196 20 0 CBADLP NC(=O)[C@@H]1CCCN1C(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001161034446 815700926 /nfs/dbraw/zinc/70/09/26/815700926.db2.gz IQZHCYHRUSMVNL-NEPJUHHUSA-N 2 2 276.340 -0.265 20 0 CBADLP NC(=O)[C@@H]1CCCN1C(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001161034447 815701431 /nfs/dbraw/zinc/70/14/31/815701431.db2.gz IQZHCYHRUSMVNL-RYUDHWBXSA-N 2 2 276.340 -0.265 20 0 CBADLP Cn1nnc(C[NH2+]CCCNC(=O)[C@@H]2CCCC[N@@H+]2C)n1 ZINC001161041090 815703596 /nfs/dbraw/zinc/70/35/96/815703596.db2.gz FUBGUYQCWXORLC-NSHDSACASA-N 2 2 295.391 -0.710 20 0 CBADLP Cn1nnc(C[NH2+]CCCNC(=O)[C@@H]2CCCC[N@H+]2C)n1 ZINC001161041090 815703599 /nfs/dbraw/zinc/70/35/99/815703599.db2.gz FUBGUYQCWXORLC-NSHDSACASA-N 2 2 295.391 -0.710 20 0 CBADLP CC(C)[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])C1 ZINC001161051398 815705908 /nfs/dbraw/zinc/70/59/08/815705908.db2.gz VAMGEVYTPADCQF-WOPDTQHZSA-N 3 2 254.378 -0.526 20 0 CBADLP CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])C1 ZINC001161051398 815705912 /nfs/dbraw/zinc/70/59/12/815705912.db2.gz VAMGEVYTPADCQF-WOPDTQHZSA-N 3 2 254.378 -0.526 20 0 CBADLP CN(C(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2)C1(C)CC[NH2+]CC1 ZINC001161067738 815707072 /nfs/dbraw/zinc/70/70/72/815707072.db2.gz KXFYDMZYVBJAAN-BXUZGUMPSA-N 3 2 266.389 -0.462 20 0 CBADLP CN(C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C)C1(C)CC[NH2+]CC1 ZINC001161067122 815707167 /nfs/dbraw/zinc/70/71/67/815707167.db2.gz FJJMYNPOUNJABS-LBPRGKRZSA-N 3 2 279.388 -0.110 20 0 CBADLP COC(=O)[C@@H]([NH3+])CC(=O)N(C)C1(C)CC[NH2+]CC1 ZINC001161068692 815707422 /nfs/dbraw/zinc/70/74/22/815707422.db2.gz VHAMYCYTFUILSV-VIFPVBQESA-N 2 2 257.334 -0.523 20 0 CBADLP CN(C(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2)C1(C)CC[NH2+]CC1 ZINC001161067744 815707597 /nfs/dbraw/zinc/70/75/97/815707597.db2.gz KXFYDMZYVBJAAN-RISCZKNCSA-N 3 2 266.389 -0.462 20 0 CBADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)C[NH2+]C3CC[NH2+]CC3)C[C@H]21 ZINC001161081243 815709041 /nfs/dbraw/zinc/70/90/41/815709041.db2.gz HYRSRIUNPUSBMU-TZMCWYRMSA-N 3 2 280.416 -0.119 20 0 CBADLP C[N@H+]1CCC[C@@H]2CN(C(=O)C[NH2+]C3CC[NH2+]CC3)C[C@H]21 ZINC001161081243 815709043 /nfs/dbraw/zinc/70/90/43/815709043.db2.gz HYRSRIUNPUSBMU-TZMCWYRMSA-N 3 2 280.416 -0.119 20 0 CBADLP C[N@@H+]1CCC[C@H]2CN(C(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)C[C@@H]21 ZINC001161081086 815709724 /nfs/dbraw/zinc/70/97/24/815709724.db2.gz DOKHGLARICGYSR-USZNOCQGSA-N 3 2 252.362 -0.772 20 0 CBADLP C[N@H+]1CCC[C@H]2CN(C(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)C[C@@H]21 ZINC001161081086 815709729 /nfs/dbraw/zinc/70/97/29/815709729.db2.gz DOKHGLARICGYSR-USZNOCQGSA-N 3 2 252.362 -0.772 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1C[C@H]2CCC[N@H+](C)[C@H]2C1 ZINC001161084014 815711953 /nfs/dbraw/zinc/71/19/53/815711953.db2.gz VYGYDYSEVUABPP-XBFCOCLRSA-N 3 2 291.399 -0.158 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1C[C@H]2CCC[N@@H+](C)[C@H]2C1 ZINC001161084014 815711957 /nfs/dbraw/zinc/71/19/57/815711957.db2.gz VYGYDYSEVUABPP-XBFCOCLRSA-N 3 2 291.399 -0.158 20 0 CBADLP CCN(CCC(=O)OC)C(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001161130277 815717186 /nfs/dbraw/zinc/71/71/86/815717186.db2.gz HDHKWQFVESTJLO-ZWNOBZJWSA-N 2 2 269.345 -0.651 20 0 CBADLP CNC(=O)C[NH+]1CCC(Nc2ncc3c(n2)C[NH2+]C3)CC1 ZINC001161136030 815718676 /nfs/dbraw/zinc/71/86/76/815718676.db2.gz SMHJDOBSPAPPEF-UHFFFAOYSA-N 2 2 290.371 -0.298 20 0 CBADLP CCN(C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1)C1C[NH+](C)C1 ZINC001161137977 815718804 /nfs/dbraw/zinc/71/88/04/815718804.db2.gz JKROWOLUIDDOGB-ZMLRMANQSA-N 2 2 252.362 -0.901 20 0 CBADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@@H]2CCC[C@H]2[NH3+])C1 ZINC001161138058 815718849 /nfs/dbraw/zinc/71/88/49/815718849.db2.gz MEHLMVASWFXJJK-LNLATYFQSA-N 2 2 255.318 -0.783 20 0 CBADLP COC(=O)[C@]1([NH3+])CCN(C(=O)c2cnc([C@H](C)[NH3+])s2)C1 ZINC001161139535 815720284 /nfs/dbraw/zinc/72/02/84/815720284.db2.gz WURPKGPXKGNVGA-MADCSZMMSA-N 2 2 298.368 -0.121 20 0 CBADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)c2ccccc2C[NH3+])C1 ZINC001161138720 815720441 /nfs/dbraw/zinc/72/04/41/815720441.db2.gz DZVPBQBDIDPURA-CQSZACIVSA-N 2 2 277.324 -0.138 20 0 CBADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@](C)([NH3+])CC(C)C)C1 ZINC001161138508 815720513 /nfs/dbraw/zinc/72/05/13/815720513.db2.gz BVAXMHPBGRZVPY-OLZOCXBDSA-N 2 2 271.361 -0.147 20 0 CBADLP COC(=O)[C@]1([NH3+])CCN(C(=O)c2cnc([C@@H](C)[NH3+])s2)C1 ZINC001161139534 815720843 /nfs/dbraw/zinc/72/08/43/815720843.db2.gz WURPKGPXKGNVGA-KRTXAFLBSA-N 2 2 298.368 -0.121 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCC(O)CC1 ZINC001161176960 815726231 /nfs/dbraw/zinc/72/62/31/815726231.db2.gz XKEBGUQQCGJBJW-NSHDSACASA-N 2 2 252.318 -0.727 20 0 CBADLP CCC[NH+]1C[C@@H]2CN(C(=O)C[C@H]([NH3+])C(=O)OC)C[C@H]2C1 ZINC001161176615 815726526 /nfs/dbraw/zinc/72/65/26/815726526.db2.gz WFOUNPBHUKCGKV-UTUOFQBUSA-N 2 2 283.372 -0.323 20 0 CBADLP NC(=O)C[NH2+]CCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001161209489 815727803 /nfs/dbraw/zinc/72/78/03/815727803.db2.gz NIORHFLZWXYLHR-JTQLQIEISA-N 2 2 279.344 -0.973 20 0 CBADLP C[C@H]1CN(C(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)C[C@H](C)[NH2+]1 ZINC001161229285 815730864 /nfs/dbraw/zinc/73/08/64/815730864.db2.gz ICGVDYHUDBREMG-NHCYSSNCSA-N 3 2 265.361 -0.501 20 0 CBADLP COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)[C@@]1(C)CC[NH2+]C1 ZINC001161236284 815731762 /nfs/dbraw/zinc/73/17/62/815731762.db2.gz CJYACRCJOZYHAI-MFKMUULPSA-N 2 2 269.345 -0.698 20 0 CBADLP COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)[C@@]1(C)CC[NH2+]C1 ZINC001161236284 815731765 /nfs/dbraw/zinc/73/17/65/815731765.db2.gz CJYACRCJOZYHAI-MFKMUULPSA-N 2 2 269.345 -0.698 20 0 CBADLP COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)C[C@@H]1CCC[NH2+]C1 ZINC001161237237 815732442 /nfs/dbraw/zinc/73/24/42/815732442.db2.gz JPQBBLOGUUYIEF-RYUDHWBXSA-N 2 2 283.372 -0.308 20 0 CBADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)C[C@@H]1CCC[NH2+]C1 ZINC001161237237 815732447 /nfs/dbraw/zinc/73/24/47/815732447.db2.gz JPQBBLOGUUYIEF-RYUDHWBXSA-N 2 2 283.372 -0.308 20 0 CBADLP COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1CC[C@@H]1[NH3+] ZINC001161237267 815732886 /nfs/dbraw/zinc/73/28/86/815732886.db2.gz KHMRSEFEIWQMAU-GUBZILKMSA-N 2 2 255.318 -0.961 20 0 CBADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]1CC[C@@H]1[NH3+] ZINC001161237267 815732890 /nfs/dbraw/zinc/73/28/90/815732890.db2.gz KHMRSEFEIWQMAU-GUBZILKMSA-N 2 2 255.318 -0.961 20 0 CBADLP CNC(=O)NC1CCN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)CC1 ZINC001161269307 815735430 /nfs/dbraw/zinc/73/54/30/815735430.db2.gz XECXMISDNOXISO-GYSYKLTISA-N 2 2 295.387 -0.872 20 0 CBADLP CC(=O)N[C@@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)C1 ZINC001161269877 815735775 /nfs/dbraw/zinc/73/57/75/815735775.db2.gz FGSJIFCUZLRRAB-BZPMIXESSA-N 2 2 280.372 -0.935 20 0 CBADLP CNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001161308868 815739424 /nfs/dbraw/zinc/73/94/24/815739424.db2.gz FTGZEMRASSEMIJ-NSHDSACASA-N 2 2 293.371 -0.713 20 0 CBADLP C[C@H]([NH2+]CCCNC(=O)[C@H]1CCn2cc[nH+]c2C1)C(N)=O ZINC001161310634 815740173 /nfs/dbraw/zinc/74/01/73/815740173.db2.gz WWRFYPOMWPVBPN-QWRGUYRKSA-N 2 2 293.371 -0.585 20 0 CBADLP CCN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@H]1CCC[NH2+]C1 ZINC001161330954 815740991 /nfs/dbraw/zinc/74/09/91/815740991.db2.gz RKHPDHRUJQNQFB-NWDGAFQWSA-N 2 2 255.362 -0.083 20 0 CBADLP CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@H]1CCC[NH2+]C1 ZINC001161330954 815740998 /nfs/dbraw/zinc/74/09/98/815740998.db2.gz RKHPDHRUJQNQFB-NWDGAFQWSA-N 2 2 255.362 -0.083 20 0 CBADLP CCN(C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)[C@H]1CCC[NH2+]C1 ZINC001161329188 815741439 /nfs/dbraw/zinc/74/14/39/815741439.db2.gz WHCTXJHKBMLQBN-RYUDHWBXSA-N 3 2 265.361 -0.120 20 0 CBADLP Cc1c[nH+]ccc1O[C@H]1CCN(C(=O)[C@@H]2C[NH2+]CCN2)C1 ZINC001161386199 815748986 /nfs/dbraw/zinc/74/89/86/815748986.db2.gz GUCCBTWRWRXYBN-STQMWFEESA-N 2 2 290.367 -0.069 20 0 CBADLP [NH3+]CCC[C@H]([NH3+])C(=O)N1CC[C@@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161378898 815749222 /nfs/dbraw/zinc/74/92/22/815749222.db2.gz NXTAYUSHXCVZMF-OLZOCXBDSA-N 4 2 283.420 -0.923 20 0 CBADLP CN1C(=O)CC[C@H]2CN(C(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])CC[C@@H]21 ZINC001161481241 815758289 /nfs/dbraw/zinc/75/82/89/815758289.db2.gz CZBOBZJSADHNKW-BJDJZHNGSA-N 2 2 280.372 -0.998 20 0 CBADLP CN1C(=O)CC[C@@H]2CN(C(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])CC[C@H]21 ZINC001161481247 815758364 /nfs/dbraw/zinc/75/83/64/815758364.db2.gz CZBOBZJSADHNKW-NOOOWODRSA-N 2 2 280.372 -0.998 20 0 CBADLP CN1C(=O)CC[C@@H]2CN(C(=O)C3([NH3+])CC[NH2+]CC3)CC[C@@H]21 ZINC001161482461 815760296 /nfs/dbraw/zinc/76/02/96/815760296.db2.gz HUQHJDZMTHQFMY-NEPJUHHUSA-N 2 2 294.399 -0.463 20 0 CBADLP COC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@](C)(C[NH3+])C1 ZINC001161490283 815761820 /nfs/dbraw/zinc/76/18/20/815761820.db2.gz WYNALIQADJXKLZ-JOYOIKCWSA-N 2 2 257.334 -0.536 20 0 CBADLP C[C@@H]1CN(C2CN(C(=O)C3([NH3+])CC[NH2+]CC3)C2)C[C@@H](C)O1 ZINC001161500473 815762581 /nfs/dbraw/zinc/76/25/81/815762581.db2.gz XTSOLOMWKCFWRA-VXGBXAGGSA-N 2 2 296.415 -0.613 20 0 CBADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)N1CC(C(F)F)C1 ZINC001161497543 815762800 /nfs/dbraw/zinc/76/28/00/815762800.db2.gz AIJZHUKYGWFVJM-JTQLQIEISA-N 2 2 276.331 -0.540 20 0 CBADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)N1CC(C(F)F)C1 ZINC001161497544 815763512 /nfs/dbraw/zinc/76/35/12/815763512.db2.gz AIJZHUKYGWFVJM-SNVBAGLBSA-N 2 2 276.331 -0.540 20 0 CBADLP CCOC(=O)C[C@H]1CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])C[C@H]1C ZINC001161501196 815765047 /nfs/dbraw/zinc/76/50/47/815765047.db2.gz YOTXVXORWMJLMV-NDBYEHHHSA-N 2 2 297.399 -0.029 20 0 CBADLP C[C@@]1(C(=O)N2C[C@H]([NH3+])C3(COC3)C2)CC(F)(F)C[NH2+]1 ZINC001161511000 815765066 /nfs/dbraw/zinc/76/50/66/815765066.db2.gz UQQZIULLRHYNKS-WPRPVWTQSA-N 2 2 275.299 -0.440 20 0 CBADLP COC(=O)[C@@H]([NH3+])CCC(=O)N1CC[NH2+]C2(CC2)C1 ZINC001161545487 815769195 /nfs/dbraw/zinc/76/91/95/815769195.db2.gz UWGUINVODGCZPJ-VIFPVBQESA-N 2 2 255.318 -0.769 20 0 CBADLP NC(=O)C[N@H+]1CC=C(CCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001161989864 815798082 /nfs/dbraw/zinc/79/80/82/815798082.db2.gz RWNNLJQCMKSDBD-UHFFFAOYSA-N 2 2 291.355 -0.493 20 0 CBADLP NC(=O)C[N@@H+]1CC=C(CCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001161989864 815798085 /nfs/dbraw/zinc/79/80/85/815798085.db2.gz RWNNLJQCMKSDBD-UHFFFAOYSA-N 2 2 291.355 -0.493 20 0 CBADLP NC(=O)C[NH2+]CCCNC(=O)c1cccc2[nH+]ccn21 ZINC001162427717 815815948 /nfs/dbraw/zinc/81/59/48/815815948.db2.gz NSTZMNRIMURPDM-UHFFFAOYSA-N 2 2 275.312 -0.471 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NCCC[NH2+]Cc1cnn(C)n1 ZINC001162605737 815837231 /nfs/dbraw/zinc/83/72/31/815837231.db2.gz HAXPLXWZDVAPCJ-UHFFFAOYSA-N 2 2 291.359 -0.384 20 0 CBADLP CN1CCOc2c1cn[nH+]c2N[C@@H]1COC[C@@H]1[NH3+] ZINC001162919863 815849191 /nfs/dbraw/zinc/84/91/91/815849191.db2.gz HVPQCQZLVHOXFK-JGVFFNPUSA-N 2 2 251.290 -0.557 20 0 CBADLP C[C@@H](O)C[NH2+]CCCNC(=O)CCc1[nH+]ccn1C ZINC001163044119 815855508 /nfs/dbraw/zinc/85/55/08/815855508.db2.gz JZCQXJAWCHUZQB-LLVKDONJSA-N 2 2 268.361 -0.171 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]CCCNC(=O)CCn1cc[nH+]c1 ZINC001163593373 815891058 /nfs/dbraw/zinc/89/10/58/815891058.db2.gz IPROVQHAKWWFGF-NSHDSACASA-N 2 2 281.360 -0.496 20 0 CBADLP CC[C@@H]([NH2+]CCCNC(=O)CCn1cc[nH+]c1)C(N)=O ZINC001163593107 815891349 /nfs/dbraw/zinc/89/13/49/815891349.db2.gz DKYQCULNXXCIMX-LLVKDONJSA-N 2 2 281.360 -0.367 20 0 CBADLP C[NH2+]C1CN(c2cc(N3CCC[C@@H]3C(N)=O)[nH+]cn2)C1 ZINC001163704649 815896061 /nfs/dbraw/zinc/89/60/61/815896061.db2.gz CIYQCASWIYTKON-SNVBAGLBSA-N 2 2 276.344 -0.661 20 0 CBADLP CC[N@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)[C@H](C)C(=O)NC ZINC001316904864 816903315 /nfs/dbraw/zinc/90/33/15/816903315.db2.gz NLOWDORLEWVXQC-LLVKDONJSA-N 2 2 295.387 -0.085 20 0 CBADLP CC[N@@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)[C@H](C)C(=O)NC ZINC001316904864 816903318 /nfs/dbraw/zinc/90/33/18/816903318.db2.gz NLOWDORLEWVXQC-LLVKDONJSA-N 2 2 295.387 -0.085 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@H](C[NH2+]CCOCCO)C1 ZINC001317336922 816966886 /nfs/dbraw/zinc/96/68/86/816966886.db2.gz LZMNJCSJEFUJKL-GFCCVEGCSA-N 2 2 296.371 -0.601 20 0 CBADLP CCNC(=O)C[NH2+]CCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001317634196 817035883 /nfs/dbraw/zinc/03/58/83/817035883.db2.gz NJECOEJQGUERHA-UHFFFAOYSA-N 2 2 267.333 -0.864 20 0 CBADLP CC[C@@H](C)NC(=O)C[NH2+]CCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001317641190 817037701 /nfs/dbraw/zinc/03/77/01/817037701.db2.gz FAUMSZCVSBDLPK-LLVKDONJSA-N 2 2 295.387 -0.085 20 0 CBADLP CC(C)[C@H](C(=O)NC1C[NH+](C[C@H](C)O)C1)[NH+](C)C ZINC001318060058 817069585 /nfs/dbraw/zinc/06/95/85/817069585.db2.gz BPHWSUWBVUFIKH-CMPLNLGQSA-N 2 2 257.378 -0.246 20 0 CBADLP C[C@H](C(=O)NC[C@@](C)(O)C[NH+](C)C)n1cc[nH+]c1 ZINC001319534219 817215564 /nfs/dbraw/zinc/21/55/64/817215564.db2.gz AAMPYNYKZBPOAO-ZYHUDNBSSA-N 2 2 254.334 -0.127 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC[C@H](O)C[NH2+]CCC1CC1 ZINC001320295523 817317726 /nfs/dbraw/zinc/31/77/26/817317726.db2.gz KSBUHNVGVVJDAN-CYBMUJFWSA-N 2 2 280.372 -0.171 20 0 CBADLP C[C@H](CC[NH2+]CC(N)=O)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001320469804 817340931 /nfs/dbraw/zinc/34/09/31/817340931.db2.gz PRFDAZIWPILVNN-GHMZBOCLSA-N 2 2 293.371 -0.585 20 0 CBADLP C[C@H](CC[NH2+]CCO)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001320467766 817341475 /nfs/dbraw/zinc/34/14/75/817341475.db2.gz DZZRBAKBXLGKDY-VXGBXAGGSA-N 2 2 280.372 -0.078 20 0 CBADLP C[C@@H](CC[NH2+]CC(=O)N1CCC1)NC(=O)Cn1cc[nH+]c1 ZINC001320652282 817367858 /nfs/dbraw/zinc/36/78/58/817367858.db2.gz KNGAHXJCSGEVTJ-LBPRGKRZSA-N 2 2 293.371 -0.400 20 0 CBADLP N[C@@H]1NC(C[N@@H+]2CCCC[C@](O)(C[NH3+])C2)=CS1 ZINC001205662762 824380238 /nfs/dbraw/zinc/38/02/38/824380238.db2.gz DIJUDZCWNWPQPO-MNOVXSKESA-N 2 2 258.391 -0.418 20 0 CBADLP N[C@@H]1NC(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)=CS1 ZINC001205662762 824380239 /nfs/dbraw/zinc/38/02/39/824380239.db2.gz DIJUDZCWNWPQPO-MNOVXSKESA-N 2 2 258.391 -0.418 20 0 CBADLP CC[NH+](CC)C[C@H](O)C[NH2+]CCc1nc(C)n[nH]1 ZINC001253209129 825905544 /nfs/dbraw/zinc/90/55/44/825905544.db2.gz XZCSCFPKOKWHPL-LLVKDONJSA-N 2 2 255.366 -0.052 20 0 CBADLP CC[NH+](CC)C[C@H](O)C[NH2+]CCc1nnc(C)[nH]1 ZINC001253209129 825905546 /nfs/dbraw/zinc/90/55/46/825905546.db2.gz XZCSCFPKOKWHPL-LLVKDONJSA-N 2 2 255.366 -0.052 20 0 CBADLP [NH3+]CCON=c1cc[nH]c(N2CCC([NH3+])CC2)[nH+]1 ZINC001164414856 819911783 /nfs/dbraw/zinc/91/17/83/819911783.db2.gz NFOKTZYWHHETKO-UHFFFAOYSA-N 3 2 252.322 -0.294 20 0 CBADLP CCN(CC)c1cc(N2CCNC(=O)C23C[NH2+]C3)nc[nH+]1 ZINC001165302907 819955162 /nfs/dbraw/zinc/95/51/62/819955162.db2.gz ZLORPWXFIRBITK-UHFFFAOYSA-N 2 2 290.371 -0.399 20 0 CBADLP NC(=O)[C@H]1CCCN1c1cc(N2C[C@@H]3C[C@]3([NH3+])C2)nc[nH+]1 ZINC001165316820 819956023 /nfs/dbraw/zinc/95/60/23/819956023.db2.gz QKPVGHCYPODJSZ-RBZYPMLTSA-N 2 2 288.355 -0.532 20 0 CBADLP C[C@@H]([NH2+]CCCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21)C(N)=O ZINC001166403473 820000090 /nfs/dbraw/zinc/00/00/90/820000090.db2.gz YWYRZCDKRIUKLC-NXEZZACHSA-N 2 2 293.371 -0.201 20 0 CBADLP C[C@@H]1C(=O)NCCN1c1nc(N2CCC([NH3+])CC2)cc[nH+]1 ZINC001166559246 820003283 /nfs/dbraw/zinc/00/32/83/820003283.db2.gz DIALBBJEKVIGNY-SNVBAGLBSA-N 2 2 290.371 -0.271 20 0 CBADLP NC(=O)[C@@H]1CN(c2cc[nH+]c(N3CCCCC3)n2)CC[NH2+]1 ZINC001166724960 820028376 /nfs/dbraw/zinc/02/83/76/820028376.db2.gz WAFDFSFSCHJTNT-NSHDSACASA-N 2 2 290.371 -0.270 20 0 CBADLP Cn1nccc1C[NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001167355694 820085237 /nfs/dbraw/zinc/08/52/37/820085237.db2.gz WDFOAJFZQGEZQZ-UHFFFAOYSA-N 2 2 276.344 -0.018 20 0 CBADLP COC[C@H](O)C[NH2+]CCCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001167429017 820090293 /nfs/dbraw/zinc/09/02/93/820090293.db2.gz OTUHGNCHKXUYCM-QWHCGFSZSA-N 2 2 298.387 -0.063 20 0 CBADLP C[C@@H]([NH2+]CCCNC(=O)C[C@H](C)n1cc[nH+]c1)C(N)=O ZINC001167428716 820090482 /nfs/dbraw/zinc/09/04/82/820090482.db2.gz MJSLSOQZRBYVBG-WDEREUQCSA-N 2 2 281.360 -0.196 20 0 CBADLP C[NH+]1CCN(C(=[NH2+])Nc2ccc3c(n2)CCNC3=O)CC1 ZINC001168736902 820169301 /nfs/dbraw/zinc/16/93/01/820169301.db2.gz SMTOGZIDLJWZMZ-UHFFFAOYSA-N 2 2 288.355 -0.038 20 0 CBADLP C[NH+]1CCN(C(=[NH2+])Nc2ncnc3c2C[NH2+]CC3)CC1 ZINC001168737050 820170409 /nfs/dbraw/zinc/17/04/09/820170409.db2.gz VGBVMHQJMXGJRE-UHFFFAOYSA-N 3 2 275.360 -0.284 20 0 CBADLP C[NH+]1CCN(C(=[NH2+])Nc2cncc3nncn32)CC1 ZINC001168740361 820171639 /nfs/dbraw/zinc/17/16/39/820171639.db2.gz FWGQSVOMXKKQBE-UHFFFAOYSA-N 2 2 260.305 -0.282 20 0 CBADLP CCn1nccc(NC(=[NH2+])N2CC[NH+](C)CC2)c1=O ZINC001168740448 820172487 /nfs/dbraw/zinc/17/24/87/820172487.db2.gz JTDRASNHCZYAFN-UHFFFAOYSA-N 2 2 264.333 -0.143 20 0 CBADLP CSc1nc(C2C[NH2+]C2)cc(-n2[nH]c(=O)nc2C[NH3+])n1 ZINC001168756858 820177974 /nfs/dbraw/zinc/17/79/74/820177974.db2.gz WFRLCBZCKKXKAT-UHFFFAOYSA-N 2 2 293.356 -0.370 20 0 CBADLP COC(=O)c1cc(C)nc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001169067289 820203457 /nfs/dbraw/zinc/20/34/57/820203457.db2.gz OYFJHCNFPDFRSH-SECBINFHSA-N 2 2 291.311 -0.381 20 0 CBADLP Nc1c(Cl)ncnc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169066482 820203892 /nfs/dbraw/zinc/20/38/92/820203892.db2.gz FHDZTEQGHBLOFD-ZCFIWIBFSA-N 2 2 268.708 -0.240 20 0 CBADLP CN(C)c1nccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001169071785 820204889 /nfs/dbraw/zinc/20/48/89/820204889.db2.gz LBLSJTVUWNXUGR-SECBINFHSA-N 2 2 262.317 -0.410 20 0 CBADLP CS(=O)(=O)c1ccnc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c1 ZINC001169072508 820205159 /nfs/dbraw/zinc/20/51/59/820205159.db2.gz ULYJYBHKMMUSGE-SECBINFHSA-N 2 2 296.352 -0.467 20 0 CBADLP NC(=O)c1cc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)ccn1 ZINC001169073211 820205175 /nfs/dbraw/zinc/20/51/75/820205175.db2.gz CRWYGHIEGCJKLH-MRVPVSSYSA-N 2 2 261.285 -0.772 20 0 CBADLP COC(=O)c1cnc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c(C)n1 ZINC001169071888 820205229 /nfs/dbraw/zinc/20/52/29/820205229.db2.gz OMJVEWYEGWHQLM-SECBINFHSA-N 2 2 291.311 -0.381 20 0 CBADLP CN1C(=O)Cc2c1ncnc2-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169072760 820205621 /nfs/dbraw/zinc/20/56/21/820205621.db2.gz WWKZCRBYSDGHPQ-MRVPVSSYSA-N 2 2 288.311 -0.957 20 0 CBADLP NC(=O)c1cc(Cl)nnc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169072934 820205637 /nfs/dbraw/zinc/20/56/37/820205637.db2.gz USVQJGFDTDCGBH-ZCFIWIBFSA-N 2 2 296.718 -0.723 20 0 CBADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cc2c(nn1)OCCO2 ZINC001169072735 820205742 /nfs/dbraw/zinc/20/57/42/820205742.db2.gz VTMCVYPQWITLNP-MRVPVSSYSA-N 2 2 277.284 -0.704 20 0 CBADLP COCc1nc(C)cc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001169071369 820205755 /nfs/dbraw/zinc/20/57/55/820205755.db2.gz AFEPDPSXTHEREF-SNVBAGLBSA-N 2 2 277.328 -0.021 20 0 CBADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1nccn2ncnc12 ZINC001169075574 820207538 /nfs/dbraw/zinc/20/75/38/820207538.db2.gz TXDFSCGEAJUPAI-MRVPVSSYSA-N 2 2 259.273 -0.828 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](Nc2cccnc2OC2C[NH2+]C2)C[NH2+]1 ZINC001169136283 820211998 /nfs/dbraw/zinc/21/19/98/820211998.db2.gz IMIZRRFNQMCAKK-SKDRFNHKSA-N 2 2 292.339 -0.252 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](Nc2cccc(C[NH3+])n2)C[NH2+]1 ZINC001169136002 820213025 /nfs/dbraw/zinc/21/30/25/820213025.db2.gz DAJWJUUOVKSELA-ZJUUUORDSA-N 2 2 250.302 -0.144 20 0 CBADLP CN(C)C(=O)C[NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001169204105 820213670 /nfs/dbraw/zinc/21/36/70/820213670.db2.gz IBDSBIOYKWPPGB-UHFFFAOYSA-N 2 2 267.333 -0.864 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001169212972 820214392 /nfs/dbraw/zinc/21/43/92/820214392.db2.gz ZTERLNCFOLDQOA-SECBINFHSA-N 2 2 267.333 -0.817 20 0 CBADLP CC[C@H](C)NC(=O)C[NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001169205581 820214876 /nfs/dbraw/zinc/21/48/76/820214876.db2.gz ZYXBJFPUZNARPB-NSHDSACASA-N 2 2 295.387 -0.037 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001169212974 820214980 /nfs/dbraw/zinc/21/49/80/820214980.db2.gz ZTERLNCFOLDQOA-VIFPVBQESA-N 2 2 267.333 -0.817 20 0 CBADLP CCOC(=O)[C@H]1CC[C@@H](NC(=[NH2+])N2CC[NH+](C)CC2)CO1 ZINC001169333816 820239780 /nfs/dbraw/zinc/23/97/80/820239780.db2.gz JVDQQOZPLOWSIB-VXGBXAGGSA-N 2 2 298.387 -0.131 20 0 CBADLP CC(=O)N1CC[C@H]([NH2+]C2(CO)CC[NH+](C)CC2)C1 ZINC001169534654 820252749 /nfs/dbraw/zinc/25/27/49/820252749.db2.gz NWOOYPQJHPAJPL-LBPRGKRZSA-N 2 2 255.362 -0.347 20 0 CBADLP CC(=O)N1CC[C@@H]([NH2+]C2(CO)CC[NH+](C)CC2)C1 ZINC001169534653 820252848 /nfs/dbraw/zinc/25/28/48/820252848.db2.gz NWOOYPQJHPAJPL-GFCCVEGCSA-N 2 2 255.362 -0.347 20 0 CBADLP CS(=O)(=O)C1CCC([NH+]2CCN(CC[NH3+])CC2)CC1 ZINC001169858052 820265864 /nfs/dbraw/zinc/26/58/64/820265864.db2.gz VPPDAHGUWVSVEG-UHFFFAOYSA-N 2 2 289.445 -0.082 20 0 CBADLP CN1CCOc2c1cn[nH+]c2NC[C@@H]1COCC[NH2+]1 ZINC001170040683 820275636 /nfs/dbraw/zinc/27/56/36/820275636.db2.gz AEHKTZJVHLDHSR-SECBINFHSA-N 2 2 265.317 -0.295 20 0 CBADLP COC(=O)c1c[nH]c2nc(NCCN(C)CC[NH3+])[nH+]cc12 ZINC001170497688 820294451 /nfs/dbraw/zinc/29/44/51/820294451.db2.gz NXMLNZAGFHTRSH-UHFFFAOYSA-N 2 2 292.343 -0.002 20 0 CBADLP CCN(C)c1cc(N[C@H]2C[NH2+]C[C@H]2CO)nc[nH+]1 ZINC001170773406 820317154 /nfs/dbraw/zinc/31/71/54/820317154.db2.gz GPAATTIFUYLOOD-UWVGGRQHSA-N 2 2 251.334 -0.075 20 0 CBADLP COC(=O)c1[nH+]ccc(N[C@H]2C[NH2+]C[C@H]2CO)c1C ZINC001170778939 820320469 /nfs/dbraw/zinc/32/04/69/820320469.db2.gz AYAGSSOAGJMSRD-ONGXEEELSA-N 2 2 265.313 -0.409 20 0 CBADLP CC[C@]([NH3+])(CO)Nc1[nH+]ncc2c1OCCN2C ZINC001170860497 820330968 /nfs/dbraw/zinc/33/09/68/820330968.db2.gz XCXAEPPPVBAKMR-LLVKDONJSA-N 2 2 253.306 -0.226 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NCCC[NH2+][C@H]1CCN(C)C1=O ZINC001171243918 820353283 /nfs/dbraw/zinc/35/32/83/820353283.db2.gz GKVTUSKCUCFMRT-LBPRGKRZSA-N 2 2 293.371 -0.711 20 0 CBADLP CCC[N@H+](C)CCC(=O)NCCC[NH2+]Cc1nnn(C)n1 ZINC001171725545 820368988 /nfs/dbraw/zinc/36/89/88/820368988.db2.gz OWKLZGOQEBXMQJ-UHFFFAOYSA-N 2 2 297.407 -0.462 20 0 CBADLP CCC[N@@H+](C)CCC(=O)NCCC[NH2+]Cc1nnn(C)n1 ZINC001171725545 820368996 /nfs/dbraw/zinc/36/89/96/820368996.db2.gz OWKLZGOQEBXMQJ-UHFFFAOYSA-N 2 2 297.407 -0.462 20 0 CBADLP CCN1CC[C@H](NC(=[NH2+])N2CC[NH+](C)CC2)CC1=O ZINC001172024843 820378107 /nfs/dbraw/zinc/37/81/07/820378107.db2.gz DCFFQCCMLNTQPO-NSHDSACASA-N 2 2 267.377 -0.231 20 0 CBADLP [NH3+]C[C@@H]1C[N@@H+]([C@@H]2CCC[C@@H](n3ncnn3)C2)CCO1 ZINC001173733078 820408987 /nfs/dbraw/zinc/40/89/87/820408987.db2.gz IATDEDYVAFWPLE-IJLUTSLNSA-N 2 2 266.349 -0.184 20 0 CBADLP [NH3+]C[C@@H]1C[N@H+]([C@@H]2CCC[C@@H](n3ncnn3)C2)CCO1 ZINC001173733078 820408992 /nfs/dbraw/zinc/40/89/92/820408992.db2.gz IATDEDYVAFWPLE-IJLUTSLNSA-N 2 2 266.349 -0.184 20 0 CBADLP [NH3+]CC1([NH2+][C@H]2CCC[C@H](n3ncnn3)C2)COC1 ZINC001173742660 820409827 /nfs/dbraw/zinc/40/98/27/820409827.db2.gz ONDZPIQENVASCF-UWVGGRQHSA-N 2 2 252.322 -0.526 20 0 CBADLP CNC(=O)C[NH2+]CCCNC(=O)Cc1[nH]c[nH+]c1C ZINC001174681976 820416040 /nfs/dbraw/zinc/41/60/40/820416040.db2.gz DSYJSCDGBIKFTB-UHFFFAOYSA-N 2 2 267.333 -0.897 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCCC[NH2+][C@@H]1CCCNC1=O ZINC001174682199 820416110 /nfs/dbraw/zinc/41/61/10/820416110.db2.gz FTHFOKNABAUVIF-LLVKDONJSA-N 2 2 293.371 -0.365 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)NCCC[NH2+][C@H]1CCNC1=O ZINC001175003982 820419886 /nfs/dbraw/zinc/41/98/86/820419886.db2.gz ZTMOBMYFOIDQMH-LBPRGKRZSA-N 2 2 293.371 -0.663 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)NCCC[NH2+]CCO ZINC001175011755 820420782 /nfs/dbraw/zinc/42/07/82/820420782.db2.gz MDDIZMUBDBWVIH-UHFFFAOYSA-N 2 2 254.334 -0.559 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]Cc2cnon2)C1 ZINC001176627645 820452813 /nfs/dbraw/zinc/45/28/13/820452813.db2.gz LUKBRODWHXRFNI-GFCCVEGCSA-N 2 2 297.359 -0.614 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]Cc2cnon2)C1 ZINC001176627645 820452824 /nfs/dbraw/zinc/45/28/24/820452824.db2.gz LUKBRODWHXRFNI-GFCCVEGCSA-N 2 2 297.359 -0.614 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]Cc2ccon2)C1 ZINC001176636422 820454931 /nfs/dbraw/zinc/45/49/31/820454931.db2.gz OMPHFMQATGRGNJ-CYBMUJFWSA-N 2 2 296.371 -0.009 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]Cc2ccon2)C1 ZINC001176636422 820454933 /nfs/dbraw/zinc/45/49/33/820454933.db2.gz OMPHFMQATGRGNJ-CYBMUJFWSA-N 2 2 296.371 -0.009 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]Cc2ccon2)C1 ZINC001176636423 820455504 /nfs/dbraw/zinc/45/55/04/820455504.db2.gz OMPHFMQATGRGNJ-ZDUSSCGKSA-N 2 2 296.371 -0.009 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]Cc2ccon2)C1 ZINC001176636423 820455508 /nfs/dbraw/zinc/45/55/08/820455508.db2.gz OMPHFMQATGRGNJ-ZDUSSCGKSA-N 2 2 296.371 -0.009 20 0 CBADLP CNC(=O)C[NH2+]CCCNC(=O)CCCn1cc[nH+]c1 ZINC001177347632 820505018 /nfs/dbraw/zinc/50/50/18/820505018.db2.gz GNCAAVDBCAIIAY-UHFFFAOYSA-N 2 2 281.360 -0.495 20 0 CBADLP CCn1ncc(C[NH2+]CCCNC(=O)Cn2cc[nH+]c2)n1 ZINC001177400215 820510866 /nfs/dbraw/zinc/51/08/66/820510866.db2.gz FLNFCSGPUIJVJH-UHFFFAOYSA-N 2 2 291.359 -0.209 20 0 CBADLP CC[C@@H]([NH2+]CCCNC(=O)Cn1cc[nH+]c1)C(N)=O ZINC001177411307 820512861 /nfs/dbraw/zinc/51/28/61/820512861.db2.gz DXZZBHCSNYKOQJ-SNVBAGLBSA-N 2 2 267.333 -0.757 20 0 CBADLP Cn1nccc1CC[NH2+]CCCNC(=O)Cn1cc[nH+]c1 ZINC001177406260 820513619 /nfs/dbraw/zinc/51/36/19/820513619.db2.gz VMWQPLMNTNUBCB-UHFFFAOYSA-N 2 2 290.371 -0.045 20 0 CBADLP C[C@H]([NH2+]CCCNC(=O)Cn1cc[nH+]c1)C(=O)NC1CC1 ZINC001177415139 820514570 /nfs/dbraw/zinc/51/45/70/820514570.db2.gz OLQFWNPSUFHEQZ-NSHDSACASA-N 2 2 293.371 -0.354 20 0 CBADLP CS(=O)(=O)N(CC[NH3+])C(=O)CCc1[nH]cc[nH+]1 ZINC001177990113 820552673 /nfs/dbraw/zinc/55/26/73/820552673.db2.gz HJVCXONTXODJNV-UHFFFAOYSA-N 2 2 260.319 -0.911 20 0 CBADLP C[C@H]1[C@@H]([NH2+]CCCO)CCN1C(=O)Cc1c[nH+]cn1C ZINC001179929184 820647797 /nfs/dbraw/zinc/64/77/97/820647797.db2.gz GJBDRAAFEOEVSR-AAEUAGOBSA-N 2 2 280.372 -0.076 20 0 CBADLP CNC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)[C@H]1C ZINC001180007470 820649184 /nfs/dbraw/zinc/64/91/84/820649184.db2.gz XUJACJKITSDCIX-QWRGUYRKSA-N 2 2 293.371 -0.414 20 0 CBADLP CNC(=O)C[NH2+]CCCCCCNC(=O)Cn1cc[nH+]c1 ZINC001180470807 820680320 /nfs/dbraw/zinc/68/03/20/820680320.db2.gz VVOZULGJDHNJJW-UHFFFAOYSA-N 2 2 295.387 -0.105 20 0 CBADLP C[N@H+](C1CN(C(=O)[C@H]2C[NH+](C)CCO2)C1)[C@H]1CCOC1 ZINC001180759817 820718016 /nfs/dbraw/zinc/71/80/16/820718016.db2.gz RDPAAYXCQODHGZ-WCQYABFASA-N 2 2 283.372 -0.752 20 0 CBADLP C[N@@H+](C1CN(C(=O)[C@H]2C[NH+](C)CCO2)C1)[C@H]1CCOC1 ZINC001180759817 820718021 /nfs/dbraw/zinc/71/80/21/820718021.db2.gz RDPAAYXCQODHGZ-WCQYABFASA-N 2 2 283.372 -0.752 20 0 CBADLP C[NH+](C1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1)[C@H]1CCOC1 ZINC001180759817 820718026 /nfs/dbraw/zinc/71/80/26/820718026.db2.gz RDPAAYXCQODHGZ-WCQYABFASA-N 2 2 283.372 -0.752 20 0 CBADLP C[NH+](C1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1)[C@H]1CCOC1 ZINC001180759817 820718032 /nfs/dbraw/zinc/71/80/32/820718032.db2.gz RDPAAYXCQODHGZ-WCQYABFASA-N 2 2 283.372 -0.752 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)n2ccc([C@@H]3CCC[NH2+]3)nc2=N)C1 ZINC001180759593 820719451 /nfs/dbraw/zinc/71/94/51/820719451.db2.gz QGDIRSJQDNTNEW-JQWIXIFHSA-N 2 2 291.355 -0.242 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)n2ccc([C@@H]3CCC[NH2+]3)nc2=N)C1 ZINC001180759593 820719457 /nfs/dbraw/zinc/71/94/57/820719457.db2.gz QGDIRSJQDNTNEW-JQWIXIFHSA-N 2 2 291.355 -0.242 20 0 CBADLP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001180762606 820721822 /nfs/dbraw/zinc/72/18/22/820721822.db2.gz NWONEHFELHGTKW-NSHDSACASA-N 3 2 285.392 -0.619 20 0 CBADLP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001180762606 820721832 /nfs/dbraw/zinc/72/18/32/820721832.db2.gz NWONEHFELHGTKW-NSHDSACASA-N 3 2 285.392 -0.619 20 0 CBADLP COCCN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CC[NH+](C)CC1 ZINC001180761465 820722110 /nfs/dbraw/zinc/72/21/10/820722110.db2.gz ZKRLJAOICHTQDV-AWEZNQCLSA-N 2 2 299.415 -0.114 20 0 CBADLP COCCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC[NH+](C)CC1 ZINC001180761465 820722114 /nfs/dbraw/zinc/72/21/14/820722114.db2.gz ZKRLJAOICHTQDV-AWEZNQCLSA-N 2 2 299.415 -0.114 20 0 CBADLP C[NH+]1CCC(CO)(NC(=O)Cc2cc[nH+]c(N)c2)CC1 ZINC001181277308 820770046 /nfs/dbraw/zinc/77/00/46/820770046.db2.gz VDPURRBIOOMCAG-UHFFFAOYSA-N 2 2 278.356 -0.221 20 0 CBADLP C[NH+](C)[C@H]1C[C@@H](C(=O)NC[C@H]2C[N@H+](C)CCO2)C1 ZINC001183374926 820992871 /nfs/dbraw/zinc/99/28/71/820992871.db2.gz FNUNKPFFSFKZBF-TUAOUCFPSA-N 2 2 255.362 -0.227 20 0 CBADLP C[NH+](C)[C@H]1C[C@@H](C(=O)NC[C@H]2C[N@@H+](C)CCO2)C1 ZINC001183374926 820992876 /nfs/dbraw/zinc/99/28/76/820992876.db2.gz FNUNKPFFSFKZBF-TUAOUCFPSA-N 2 2 255.362 -0.227 20 0 CBADLP C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@@H]1C[NH2+]CC(N)=O ZINC001185788126 821142330 /nfs/dbraw/zinc/14/23/30/821142330.db2.gz LPRGAXVIPOJTSI-NWDGAFQWSA-N 2 2 293.371 -0.557 20 0 CBADLP C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)C[NH+]1CC[C@H](O)C1 ZINC001186036689 821153512 /nfs/dbraw/zinc/15/35/12/821153512.db2.gz CAWLRKWLGJDUDC-TUAOUCFPSA-N 2 2 255.362 -0.396 20 0 CBADLP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)C[NH+]1CC[C@H](O)C1 ZINC001186036689 821153518 /nfs/dbraw/zinc/15/35/18/821153518.db2.gz CAWLRKWLGJDUDC-TUAOUCFPSA-N 2 2 255.362 -0.396 20 0 CBADLP C[C@@H]1C[NH+](C)[C@@H](C)CN1C(=O)C[N@@H+]1CC[C@H](O)C1 ZINC001186036689 821153523 /nfs/dbraw/zinc/15/35/23/821153523.db2.gz CAWLRKWLGJDUDC-TUAOUCFPSA-N 2 2 255.362 -0.396 20 0 CBADLP C[C@@H]1C[NH+](C)[C@@H](C)CN1C(=O)C[N@H+]1CC[C@H](O)C1 ZINC001186036689 821153526 /nfs/dbraw/zinc/15/35/26/821153526.db2.gz CAWLRKWLGJDUDC-TUAOUCFPSA-N 2 2 255.362 -0.396 20 0 CBADLP COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1CCC[NH+](C)C1 ZINC001186355265 821181123 /nfs/dbraw/zinc/18/11/23/821181123.db2.gz ZCISTIOQFALYSC-RYUDHWBXSA-N 2 2 283.372 -0.356 20 0 CBADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]1CCC[NH+](C)C1 ZINC001186355265 821181127 /nfs/dbraw/zinc/18/11/27/821181127.db2.gz ZCISTIOQFALYSC-RYUDHWBXSA-N 2 2 283.372 -0.356 20 0 CBADLP COC(=O)[C@@H]1C[NH+](C)CCN1C(=O)[C@H]1CCC[N@H+](C)C1 ZINC001186355265 821181129 /nfs/dbraw/zinc/18/11/29/821181129.db2.gz ZCISTIOQFALYSC-RYUDHWBXSA-N 2 2 283.372 -0.356 20 0 CBADLP COC(=O)[C@@H]1C[NH+](C)CCN1C(=O)[C@H]1CCC[N@@H+](C)C1 ZINC001186355265 821181131 /nfs/dbraw/zinc/18/11/31/821181131.db2.gz ZCISTIOQFALYSC-RYUDHWBXSA-N 2 2 283.372 -0.356 20 0 CBADLP COCC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001186576121 821189533 /nfs/dbraw/zinc/18/95/33/821189533.db2.gz MPEYTQNVYVIYOO-SNVBAGLBSA-N 2 2 252.318 -0.211 20 0 CBADLP CC(C)[NH2+]CCN(CCO)C(=O)Cn1cc[nH+]c1 ZINC001279920419 828341162 /nfs/dbraw/zinc/34/11/62/828341162.db2.gz VSNGQSCNMZUOIS-UHFFFAOYSA-N 2 2 254.334 -0.298 20 0 CBADLP CC[NH2+]CCN(CCO)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001279746282 828337686 /nfs/dbraw/zinc/33/76/86/828337686.db2.gz KDPUSOCUBBDQAD-LBPRGKRZSA-N 2 2 280.372 -0.124 20 0 CBADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCO[C@@H](C[NH2+]CCO)C1 ZINC001280648394 828368347 /nfs/dbraw/zinc/36/83/47/828368347.db2.gz LUOAVZSULNLSSK-AAEUAGOBSA-N 2 2 296.371 -0.602 20 0 CBADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCO[C@@H](C[NH2+]CCO)C1 ZINC001280648394 828368355 /nfs/dbraw/zinc/36/83/55/828368355.db2.gz LUOAVZSULNLSSK-AAEUAGOBSA-N 2 2 296.371 -0.602 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001187420657 822278110 /nfs/dbraw/zinc/27/81/10/822278110.db2.gz QEGZZTQEJMIFLJ-GHMZBOCLSA-N 2 2 293.371 -0.414 20 0 CBADLP C[C@@H]([NH2+][C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1)C(N)=O ZINC001188346144 822330304 /nfs/dbraw/zinc/33/03/04/822330304.db2.gz AUYKYTONFDVHEW-VXGBXAGGSA-N 2 2 293.371 -0.272 20 0 CBADLP C[C@@H](CCNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CCCO ZINC001281758458 828424393 /nfs/dbraw/zinc/42/43/93/828424393.db2.gz AYKSOQYGZUIIII-JTQLQIEISA-N 2 2 254.334 -0.181 20 0 CBADLP O=C(NC1CC(C[NH2+]CCO)C1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001282016163 828430620 /nfs/dbraw/zinc/43/06/20/828430620.db2.gz VQGXIZDUSYILIL-OTTFEQOBSA-N 2 2 292.383 -0.078 20 0 CBADLP CNC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001282207387 828438824 /nfs/dbraw/zinc/43/88/24/828438824.db2.gz OICMIKKFUPZRQX-IUCAKERBSA-N 2 2 267.333 -0.819 20 0 CBADLP COCC[N@H+](C)[C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001282505042 828450648 /nfs/dbraw/zinc/45/06/48/828450648.db2.gz VUNHIUGMEQKUPM-NSHDSACASA-N 2 2 254.334 -0.034 20 0 CBADLP COCC[N@@H+](C)[C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001282505042 828450650 /nfs/dbraw/zinc/45/06/50/828450650.db2.gz VUNHIUGMEQKUPM-NSHDSACASA-N 2 2 254.334 -0.034 20 0 CBADLP C[NH+](C)CC1(C(=O)NCCNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001283151766 828501134 /nfs/dbraw/zinc/50/11/34/828501134.db2.gz OWTOPZIVVADRSJ-UHFFFAOYSA-N 2 2 293.371 -0.474 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)NCCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001283207154 828507741 /nfs/dbraw/zinc/50/77/41/828507741.db2.gz HPPVEEBHDIJTTQ-LBPRGKRZSA-N 2 2 293.371 -0.331 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)NCCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001283207154 828507745 /nfs/dbraw/zinc/50/77/45/828507745.db2.gz HPPVEEBHDIJTTQ-LBPRGKRZSA-N 2 2 293.371 -0.331 20 0 CBADLP CC[C@H](C(=O)NCCCNC(=O)Cc1[nH]cc[nH+]1)[NH+](C)C ZINC001283286744 828511755 /nfs/dbraw/zinc/51/17/55/828511755.db2.gz JXAHYFBWIFAOOG-LLVKDONJSA-N 2 2 295.387 -0.085 20 0 CBADLP C[N@H+](CCCO)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001192549883 823975256 /nfs/dbraw/zinc/97/52/56/823975256.db2.gz AVJBLPXTALWSKR-GFCCVEGCSA-N 2 2 266.345 -0.133 20 0 CBADLP C[N@@H+](CCCO)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001192549883 823975262 /nfs/dbraw/zinc/97/52/62/823975262.db2.gz AVJBLPXTALWSKR-GFCCVEGCSA-N 2 2 266.345 -0.133 20 0 CBADLP COC[C@@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001192551779 823976349 /nfs/dbraw/zinc/97/63/49/823976349.db2.gz SNOQHBCUYBKQHP-OLZOCXBDSA-N 2 2 296.371 -0.508 20 0 CBADLP COC[C@@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001192551779 823976357 /nfs/dbraw/zinc/97/63/57/823976357.db2.gz SNOQHBCUYBKQHP-OLZOCXBDSA-N 2 2 296.371 -0.508 20 0 CBADLP C[N@H+](CCOCCO)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001192550275 823976525 /nfs/dbraw/zinc/97/65/25/823976525.db2.gz GFEVFRUVCKLNLH-CYBMUJFWSA-N 2 2 296.371 -0.506 20 0 CBADLP C[N@@H+](CCOCCO)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001192550275 823976527 /nfs/dbraw/zinc/97/65/27/823976527.db2.gz GFEVFRUVCKLNLH-CYBMUJFWSA-N 2 2 296.371 -0.506 20 0 CBADLP CN(C[C@H](O)C[NH2+]CCCF)C(=O)Cn1cc[nH+]c1 ZINC001284475415 828599471 /nfs/dbraw/zinc/59/94/71/828599471.db2.gz BLSJRQMCQTYCSZ-LLVKDONJSA-N 2 2 272.324 -0.348 20 0 CBADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@@H+](CCCF)C[C@H]1O ZINC001195149662 824103789 /nfs/dbraw/zinc/10/37/89/824103789.db2.gz WDJGBOGHGVHOGW-VXGBXAGGSA-N 2 2 284.335 -0.206 20 0 CBADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@H+](CCCF)C[C@H]1O ZINC001195149662 824103793 /nfs/dbraw/zinc/10/37/93/824103793.db2.gz WDJGBOGHGVHOGW-VXGBXAGGSA-N 2 2 284.335 -0.206 20 0 CBADLP CO[C@H](C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001195149466 824104755 /nfs/dbraw/zinc/10/47/55/824104755.db2.gz OKDABKFFHOOSNW-JHJVBQTASA-N 2 2 296.371 -0.531 20 0 CBADLP CO[C@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001195149466 824104759 /nfs/dbraw/zinc/10/47/59/824104759.db2.gz OKDABKFFHOOSNW-JHJVBQTASA-N 2 2 296.371 -0.531 20 0 CBADLP Cc1ncc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C2)o1 ZINC001195859701 824134723 /nfs/dbraw/zinc/13/47/23/824134723.db2.gz NIHBRRQLWXZCIV-CHWSQXEVSA-N 2 2 296.371 -0.404 20 0 CBADLP Cc1ncc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C2)o1 ZINC001195859701 824134726 /nfs/dbraw/zinc/13/47/26/824134726.db2.gz NIHBRRQLWXZCIV-CHWSQXEVSA-N 2 2 296.371 -0.404 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CCCN(C(=O)CCC[NH+](C)C)CC1 ZINC001196963555 824173708 /nfs/dbraw/zinc/17/37/08/824173708.db2.gz VUUJSPJCCWUSOW-GFCCVEGCSA-N 2 2 284.404 -0.264 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CCCN(C(=O)CCC[NH+](C)C)CC1 ZINC001196963555 824173714 /nfs/dbraw/zinc/17/37/14/824173714.db2.gz VUUJSPJCCWUSOW-GFCCVEGCSA-N 2 2 284.404 -0.264 20 0 CBADLP CCC[NH+](C)CCC(=O)N1CCC[N@H+](CC(=O)NC)CC1 ZINC001197907980 824208876 /nfs/dbraw/zinc/20/88/76/824208876.db2.gz NKMRUSGIOSDTLS-UHFFFAOYSA-N 2 2 298.431 -0.001 20 0 CBADLP CCC[N@H+](C)CCC(=O)N1CCC[NH+](CC(=O)NC)CC1 ZINC001197907980 824208865 /nfs/dbraw/zinc/20/88/65/824208865.db2.gz NKMRUSGIOSDTLS-UHFFFAOYSA-N 2 2 298.431 -0.001 20 0 CBADLP CCC[N@@H+](C)CCC(=O)N1CCC[NH+](CC(=O)NC)CC1 ZINC001197907980 824208870 /nfs/dbraw/zinc/20/88/70/824208870.db2.gz NKMRUSGIOSDTLS-UHFFFAOYSA-N 2 2 298.431 -0.001 20 0 CBADLP CCC[NH+](C)CCC(=O)N1CCC[N@@H+](CC(=O)NC)CC1 ZINC001197907980 824208883 /nfs/dbraw/zinc/20/88/83/824208883.db2.gz NKMRUSGIOSDTLS-UHFFFAOYSA-N 2 2 298.431 -0.001 20 0 CBADLP C[NH+](C)CCCCC(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC001197885558 824209394 /nfs/dbraw/zinc/20/93/94/824209394.db2.gz HRWIAUDPNLATTL-UHFFFAOYSA-N 2 2 284.404 -0.262 20 0 CBADLP C[NH+](C)CCCCC(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC001197885558 824209398 /nfs/dbraw/zinc/20/93/98/824209398.db2.gz HRWIAUDPNLATTL-UHFFFAOYSA-N 2 2 284.404 -0.262 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N1CCC[NH+]([C@H]2CCNC2=O)CC1 ZINC001198274520 824222844 /nfs/dbraw/zinc/22/28/44/824222844.db2.gz JUTJWFDTSQCQJK-ZDUSSCGKSA-N 2 2 296.415 -0.251 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N1CCC[NH+]([C@H]2CCNC2=O)CC1 ZINC001198274520 824222853 /nfs/dbraw/zinc/22/28/53/824222853.db2.gz JUTJWFDTSQCQJK-ZDUSSCGKSA-N 2 2 296.415 -0.251 20 0 CBADLP CC(C)[NH+](C)CC(=O)N1CCC[N@@H+]([C@H]2CCNC2=O)CC1 ZINC001198274520 824222861 /nfs/dbraw/zinc/22/28/61/824222861.db2.gz JUTJWFDTSQCQJK-ZDUSSCGKSA-N 2 2 296.415 -0.251 20 0 CBADLP CC(C)[NH+](C)CC(=O)N1CCC[N@H+]([C@H]2CCNC2=O)CC1 ZINC001198274520 824222871 /nfs/dbraw/zinc/22/28/71/824222871.db2.gz JUTJWFDTSQCQJK-ZDUSSCGKSA-N 2 2 296.415 -0.251 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N1CCC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001198274519 824223157 /nfs/dbraw/zinc/22/31/57/824223157.db2.gz JUTJWFDTSQCQJK-CYBMUJFWSA-N 2 2 296.415 -0.251 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N1CCC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001198274519 824223163 /nfs/dbraw/zinc/22/31/63/824223163.db2.gz JUTJWFDTSQCQJK-CYBMUJFWSA-N 2 2 296.415 -0.251 20 0 CBADLP CC(C)[NH+](C)CC(=O)N1CCC[N@@H+]([C@@H]2CCNC2=O)CC1 ZINC001198274519 824223170 /nfs/dbraw/zinc/22/31/70/824223170.db2.gz JUTJWFDTSQCQJK-CYBMUJFWSA-N 2 2 296.415 -0.251 20 0 CBADLP CC(C)[NH+](C)CC(=O)N1CCC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC001198274519 824223178 /nfs/dbraw/zinc/22/31/78/824223178.db2.gz JUTJWFDTSQCQJK-CYBMUJFWSA-N 2 2 296.415 -0.251 20 0 CBADLP CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001198672338 824235133 /nfs/dbraw/zinc/23/51/33/824235133.db2.gz NCOCLVQWTGBLKI-CHWSQXEVSA-N 2 2 296.371 -0.611 20 0 CBADLP CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001198672338 824235141 /nfs/dbraw/zinc/23/51/41/824235141.db2.gz NCOCLVQWTGBLKI-CHWSQXEVSA-N 2 2 296.371 -0.611 20 0 CBADLP C[NH+]1CCN(c2cc[nH+]cc2C(=O)NCCON)CC1 ZINC001199358763 824265502 /nfs/dbraw/zinc/26/55/02/824265502.db2.gz CGTSCFKUNGMJFY-UHFFFAOYSA-N 2 2 279.344 -0.547 20 0 CBADLP CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001199398853 824266825 /nfs/dbraw/zinc/26/68/25/824266825.db2.gz VLRKWTXNAPMHTE-VXGBXAGGSA-N 2 2 266.345 -0.156 20 0 CBADLP CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001199398853 824266832 /nfs/dbraw/zinc/26/68/32/824266832.db2.gz VLRKWTXNAPMHTE-VXGBXAGGSA-N 2 2 266.345 -0.156 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)N1CCCO[C@H](C[NH2+]CCO)C1 ZINC001200652866 824323340 /nfs/dbraw/zinc/32/33/40/824323340.db2.gz ARUHHCJOTGVTQS-CYBMUJFWSA-N 2 2 296.371 -0.458 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)N1CCCO[C@H](C[NH2+]CCO)C1 ZINC001200652866 824323344 /nfs/dbraw/zinc/32/33/44/824323344.db2.gz ARUHHCJOTGVTQS-CYBMUJFWSA-N 2 2 296.371 -0.458 20 0 CBADLP O=C(CCn1cc[nH+]c1)N1CCCO[C@@H](C[NH2+]CCO)C1 ZINC001201104331 824327631 /nfs/dbraw/zinc/32/76/31/824327631.db2.gz NHTMFGSYHQOXHN-ZDUSSCGKSA-N 2 2 296.371 -0.527 20 0 CBADLP COCC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCCO1 ZINC001201484721 824333504 /nfs/dbraw/zinc/33/35/04/824333504.db2.gz ZCGNARCUQNVTMW-ZDUSSCGKSA-N 2 2 296.371 -0.194 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CCCO[C@H](C[NH2+]CCO)C1 ZINC001201493765 824333787 /nfs/dbraw/zinc/33/37/87/824333787.db2.gz JXIBMONXLVFAIJ-GFCCVEGCSA-N 2 2 282.344 -0.848 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N1CCCO[C@H](C[NH2+]CCO)C1 ZINC001201726127 824334768 /nfs/dbraw/zinc/33/47/68/824334768.db2.gz HKBSKLQHZLOTKA-LLVKDONJSA-N 2 2 282.344 -0.848 20 0 CBADLP C[C@@H](O)C[NH2+]C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCCO1 ZINC001201719135 824334778 /nfs/dbraw/zinc/33/47/78/824334778.db2.gz GVQOIOFQRKHJLJ-NEPJUHHUSA-N 2 2 296.371 -0.460 20 0 CBADLP C[C@H](O)C[NH2+]C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCCO1 ZINC001201719140 824335003 /nfs/dbraw/zinc/33/50/03/824335003.db2.gz GVQOIOFQRKHJLJ-RYUDHWBXSA-N 2 2 296.371 -0.460 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCO[C@H](C[NH2+]CCO)C1 ZINC001201952517 824339336 /nfs/dbraw/zinc/33/93/36/824339336.db2.gz LKSDMTGZQJLIKF-GFCCVEGCSA-N 2 2 296.371 -0.540 20 0 CBADLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](C[C@@H]2CCC(=O)N2)C1 ZINC001202902371 824354700 /nfs/dbraw/zinc/35/47/00/824354700.db2.gz HXMTUMJVBGNJDT-NEPJUHHUSA-N 2 2 282.388 -0.593 20 0 CBADLP NC(=O)C[NH2+]C1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001204069124 824364142 /nfs/dbraw/zinc/36/41/42/824364142.db2.gz MMDFTCTXKSBPOJ-UHFFFAOYSA-N 2 2 293.371 -0.271 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001204076484 824364822 /nfs/dbraw/zinc/36/48/22/824364822.db2.gz NWJJKNDYYRZQON-LLVKDONJSA-N 2 2 293.371 -0.402 20 0 CBADLP N[C@H]1NC(C[N@@H+]2CCCC[C@@](O)(C[NH3+])C2)=CS1 ZINC001205662764 824381263 /nfs/dbraw/zinc/38/12/63/824381263.db2.gz DIJUDZCWNWPQPO-WDEREUQCSA-N 2 2 258.391 -0.418 20 0 CBADLP N[C@H]1NC(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)=CS1 ZINC001205662764 824381265 /nfs/dbraw/zinc/38/12/65/824381265.db2.gz DIJUDZCWNWPQPO-WDEREUQCSA-N 2 2 258.391 -0.418 20 0 CBADLP CC1(C)[NH2+]C[C@@H](C[N@@H+]2CCC[C@@](O)(C[NH3+])CC2)O1 ZINC001205209780 824375671 /nfs/dbraw/zinc/37/56/71/824375671.db2.gz LECJQIVPYKVYER-AAEUAGOBSA-N 3 2 257.378 -0.113 20 0 CBADLP CC1(C)[NH2+]C[C@@H](C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)O1 ZINC001205209780 824375672 /nfs/dbraw/zinc/37/56/72/824375672.db2.gz LECJQIVPYKVYER-AAEUAGOBSA-N 3 2 257.378 -0.113 20 0 CBADLP COC(=O)[C@H]1CC[C@H](C[N@@H+]2C[C@@H]([NH3+])[C@H](O)C2)CC1 ZINC001205347733 824377279 /nfs/dbraw/zinc/37/72/79/824377279.db2.gz RQFYZMKHAJAESU-DDHJBXDOSA-N 2 2 256.346 -0.030 20 0 CBADLP COC(=O)[C@H]1CC[C@H](C[N@H+]2C[C@@H]([NH3+])[C@H](O)C2)CC1 ZINC001205347733 824377281 /nfs/dbraw/zinc/37/72/81/824377281.db2.gz RQFYZMKHAJAESU-DDHJBXDOSA-N 2 2 256.346 -0.030 20 0 CBADLP NC(=O)C[NH2+]CC1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001205433585 824378708 /nfs/dbraw/zinc/37/87/08/824378708.db2.gz ZMAUUUGDIKGMNI-UHFFFAOYSA-N 2 2 293.371 -0.344 20 0 CBADLP NC(=O)C[NH2+]CC1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001205433585 824378713 /nfs/dbraw/zinc/37/87/13/824378713.db2.gz ZMAUUUGDIKGMNI-UHFFFAOYSA-N 2 2 293.371 -0.344 20 0 CBADLP Nc1nccnc1C[N@@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001205682730 824381291 /nfs/dbraw/zinc/38/12/91/824381291.db2.gz UAWMZUKEDCXVKP-GFCCVEGCSA-N 2 2 251.334 -0.266 20 0 CBADLP Nc1nccnc1C[N@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001205682730 824381294 /nfs/dbraw/zinc/38/12/94/824381294.db2.gz UAWMZUKEDCXVKP-GFCCVEGCSA-N 2 2 251.334 -0.266 20 0 CBADLP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206511806 824401969 /nfs/dbraw/zinc/40/19/69/824401969.db2.gz CCNQUQABKPVGPQ-MMWGEVLESA-N 3 2 263.332 -0.271 20 0 CBADLP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206511806 824401970 /nfs/dbraw/zinc/40/19/70/824401970.db2.gz CCNQUQABKPVGPQ-MMWGEVLESA-N 3 2 263.332 -0.271 20 0 CBADLP COCCC[NH+]1CCN(CC[NH+]2CCOCC2)CC1 ZINC001209049672 824462139 /nfs/dbraw/zinc/46/21/39/824462139.db2.gz AOLQOCJDRIVXEI-UHFFFAOYSA-N 2 2 271.405 -0.027 20 0 CBADLP C[NH+](C)CCC[N@H+](C)C[C@@H]1OC(C)(C)O[C@@H]1[C@H](O)CO ZINC001209269649 824464985 /nfs/dbraw/zinc/46/49/85/824464985.db2.gz YQIJYWFMQIKESX-FRRDWIJNSA-N 2 2 290.404 -0.257 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)C[C@@H]1OC(C)(C)O[C@@H]1[C@H](O)CO ZINC001209269649 824464988 /nfs/dbraw/zinc/46/49/88/824464988.db2.gz YQIJYWFMQIKESX-FRRDWIJNSA-N 2 2 290.404 -0.257 20 0 CBADLP C[N@H+](C1CN(CC[NH+]2CCOCC2)C1)[C@H]1CCOC1 ZINC001209294818 824467949 /nfs/dbraw/zinc/46/79/49/824467949.db2.gz IGMXRSQEUNLUAW-ZDUSSCGKSA-N 2 2 269.389 -0.277 20 0 CBADLP C[N@@H+](C1CN(CC[NH+]2CCOCC2)C1)[C@H]1CCOC1 ZINC001209294818 824467950 /nfs/dbraw/zinc/46/79/50/824467950.db2.gz IGMXRSQEUNLUAW-ZDUSSCGKSA-N 2 2 269.389 -0.277 20 0 CBADLP CNC(=O)C[NH2+][C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001209836758 824475977 /nfs/dbraw/zinc/47/59/77/824475977.db2.gz MXORIQQJHMJNNF-SNVBAGLBSA-N 2 2 279.344 -0.721 20 0 CBADLP CNC(=O)C[NH2+][C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001214811807 824536411 /nfs/dbraw/zinc/53/64/11/824536411.db2.gz ICGYHYMQKXXBJS-ZYHUDNBSSA-N 2 2 293.371 -0.475 20 0 CBADLP CNC(=O)C[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001214811807 824536414 /nfs/dbraw/zinc/53/64/14/824536414.db2.gz ICGYHYMQKXXBJS-ZYHUDNBSSA-N 2 2 293.371 -0.475 20 0 CBADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH2+]CCCO ZINC001216064553 824544992 /nfs/dbraw/zinc/54/49/92/824544992.db2.gz CFHGBTIJEAESLL-GHMZBOCLSA-N 2 2 266.345 -0.229 20 0 CBADLP COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001216061919 824545152 /nfs/dbraw/zinc/54/51/52/824545152.db2.gz SYOBLFLPQQHYPW-IJLUTSLNSA-N 2 2 296.371 -0.604 20 0 CBADLP C[C@@H]1C[N@@H+](CCc2nnc(C[C@@H]([NH3+])C(N)=O)o2)C[C@H](C)O1 ZINC001217743534 824560306 /nfs/dbraw/zinc/56/03/06/824560306.db2.gz VAUDERCKFUBIQC-KXUCPTDWSA-N 2 2 297.359 -0.924 20 0 CBADLP C[C@@H]1C[N@H+](CCc2nnc(C[C@@H]([NH3+])C(N)=O)o2)C[C@H](C)O1 ZINC001217743534 824560316 /nfs/dbraw/zinc/56/03/16/824560316.db2.gz VAUDERCKFUBIQC-KXUCPTDWSA-N 2 2 297.359 -0.924 20 0 CBADLP [NH3+][C@@H](CN1CCC([NH3+])CC1)c1nnc([C@@H]2CCOC2)o1 ZINC001217757683 824561454 /nfs/dbraw/zinc/56/14/54/824561454.db2.gz QYGKCVGXRJWTKU-KOLCDFICSA-N 2 2 281.360 -0.004 20 0 CBADLP Cn1cnc(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)c2ncnc1-2 ZINC001218494907 824568793 /nfs/dbraw/zinc/56/87/93/824568793.db2.gz GHQKIHHEXDORNI-RBDZCENOSA-N 2 2 287.327 -0.525 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cnc2c(c1)COCC2 ZINC001218500455 824570373 /nfs/dbraw/zinc/57/03/73/824570373.db2.gz BJJDPOUJGUPQOB-QWRGUYRKSA-N 2 2 262.313 -0.361 20 0 CBADLP COc1nn(C)cc1NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001218505692 824573981 /nfs/dbraw/zinc/57/39/81/824573981.db2.gz YZJKHQQHRUUKQO-MRVPVSSYSA-N 2 2 264.289 -0.340 20 0 CBADLP Cc1cc(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)n2ncnc2n1 ZINC001218527354 824584137 /nfs/dbraw/zinc/58/41/37/824584137.db2.gz IQGHTVHCRVOCHF-SFYZADRCSA-N 2 2 261.289 -0.940 20 0 CBADLP COc1ccc(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])c(C)n1 ZINC001218537344 824587556 /nfs/dbraw/zinc/58/75/56/824587556.db2.gz BMZJRTSPHAYFJP-IUCAKERBSA-N 2 2 250.302 -0.116 20 0 CBADLP Cn1ncc2c1ncnc2NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001218557145 824589734 /nfs/dbraw/zinc/58/97/34/824589734.db2.gz HIUWIYZMWLHEBY-VIFPVBQESA-N 2 2 286.299 -0.405 20 0 CBADLP CCOC(=O)c1[nH]cnc1NC(=O)[C@@H]([NH3+])CC[NH3+] ZINC001218560418 824591608 /nfs/dbraw/zinc/59/16/08/824591608.db2.gz YQDHMWBSSRYKEL-LURJTMIESA-N 2 2 255.278 -0.799 20 0 CBADLP O=C(C[NH2+]C1CC[NH2+]CC1)Nc1ncnn2cccc12 ZINC001218564250 824592736 /nfs/dbraw/zinc/59/27/36/824592736.db2.gz GNOVFOQHOGMQLP-UHFFFAOYSA-N 2 2 274.328 -0.569 20 0 CBADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1ccnn1Cc1cccnc1 ZINC001218564949 824593108 /nfs/dbraw/zinc/59/31/08/824593108.db2.gz NJYOYIBDHGVFCA-NSHDSACASA-N 2 2 274.328 -0.059 20 0 CBADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1cnc2ccc(Cl)nn12 ZINC001218567053 824594618 /nfs/dbraw/zinc/59/46/18/824594618.db2.gz AEXUNPUELXBHAK-LURJTMIESA-N 2 2 268.708 -0.003 20 0 CBADLP COc1cc(NC(=O)C[NH2+]C2CC[NH2+]CC2)no1 ZINC001218573526 824596637 /nfs/dbraw/zinc/59/66/37/824596637.db2.gz ITKPIMNWYIFEQS-UHFFFAOYSA-N 2 2 254.290 -0.037 20 0 CBADLP Cn1nc(Br)cc1NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001218583869 824599356 /nfs/dbraw/zinc/59/93/56/824599356.db2.gz ZGJVGYBBJUAJSV-RITPCOANSA-N 2 2 288.149 -0.190 20 0 CBADLP COC(=O)Cn1cc(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)cn1 ZINC001218609462 824603251 /nfs/dbraw/zinc/60/32/51/824603251.db2.gz DQYXUCWNSPYCSR-BREBYQMCSA-N 2 2 293.327 -0.784 20 0 CBADLP CC(=O)Nc1cc(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)ncn1 ZINC001218611087 824603653 /nfs/dbraw/zinc/60/36/53/824603653.db2.gz VJUJLOFBOSPWAL-KKFJDGPESA-N 2 2 290.327 -0.405 20 0 CBADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1cccnc1OC1COC1 ZINC001218618461 824604696 /nfs/dbraw/zinc/60/46/96/824604696.db2.gz QOFJBELFVBABMR-VIFPVBQESA-N 2 2 266.301 -0.526 20 0 CBADLP O=C(Nc1cc[nH+]c2c1CCC2)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218621285 824605940 /nfs/dbraw/zinc/60/59/40/824605940.db2.gz QRARDJXRWWWMGK-LLVKDONJSA-N 3 2 272.352 -0.260 20 0 CBADLP N=c1c(N)cnc(Cl)n1C(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001218622965 824606624 /nfs/dbraw/zinc/60/66/24/824606624.db2.gz ZWJSXZZOSMTHLR-ZCFIWIBFSA-N 2 2 281.707 -0.469 20 0 CBADLP CCOC(=O)c1cc(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])n(C)n1 ZINC001218636870 824611219 /nfs/dbraw/zinc/61/12/19/824611219.db2.gz LKSJNFALZSNHAI-YUMQZZPRSA-N 2 2 281.316 -0.918 20 0 CBADLP COC(=O)c1onc(C)c1NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001218635829 824611686 /nfs/dbraw/zinc/61/16/86/824611686.db2.gz IMTIVPUBDWLMGQ-BQBZGAKWSA-N 2 2 268.273 -0.745 20 0 CBADLP [NH3+]C1(C(=O)Nc2cnn(C3C[NH2+]C3)c2)CC[NH2+]CC1 ZINC001218639729 824612786 /nfs/dbraw/zinc/61/27/86/824612786.db2.gz BCLJTFIGVLRARW-UHFFFAOYSA-N 3 2 264.333 -0.953 20 0 CBADLP Cc1nc(Cl)c(N)c(=N)n1C(=O)[C@@H]([NH3+])CC[NH3+] ZINC001218642129 824612981 /nfs/dbraw/zinc/61/29/81/824612981.db2.gz PNHFVESVMDVOOT-YFKPBYRVSA-N 2 2 258.713 -0.777 20 0 CBADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1nc(Cl)c(Cl)nc1CO ZINC001218654470 824617168 /nfs/dbraw/zinc/61/71/68/824617168.db2.gz LMWPOIDENANVNI-BYPYZUCNSA-N 2 2 294.142 -0.110 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1ccn2cnnc2c1 ZINC001218657871 824618386 /nfs/dbraw/zinc/61/83/86/824618386.db2.gz WLPUFDVXGRICMI-NSHDSACASA-N 2 2 285.311 -0.029 20 0 CBADLP [NH3+]CCC[NH2+]CC(=O)Nc1[nH]c(=O)[nH]c(=O)c1N=O ZINC001218671786 824620212 /nfs/dbraw/zinc/62/02/12/824620212.db2.gz RQEQAESVTNHNGY-UHFFFAOYSA-N 2 2 270.249 -0.837 20 0 CBADLP Cc1nc2[nH]cnc2c(NC(=O)C[NH2+]C2CC[NH2+]CC2)n1 ZINC001218699450 824623892 /nfs/dbraw/zinc/62/38/92/824623892.db2.gz JGJITIMNEDGPHM-UHFFFAOYSA-N 2 2 289.343 -0.059 20 0 CBADLP NC(=O)c1cnoc1NC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001218702899 824625218 /nfs/dbraw/zinc/62/52/18/824625218.db2.gz ZDWWCDPFTBAXDW-UHFFFAOYSA-N 2 2 267.289 -0.946 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1cncc(C[NH3+])c1 ZINC001218704438 824626328 /nfs/dbraw/zinc/62/63/28/824626328.db2.gz RAZVPZNVJSBKNW-LBPRGKRZSA-N 3 2 274.328 -0.218 20 0 CBADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1cc([C@H]2CCC[NH2+]2)no1 ZINC001218710815 824627894 /nfs/dbraw/zinc/62/78/94/824627894.db2.gz IPHWFVIYWFZMKJ-JGVFFNPUSA-N 3 2 253.306 -0.286 20 0 CBADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1cc([C@@H]2CCC[NH2+]2)no1 ZINC001218710818 824627941 /nfs/dbraw/zinc/62/79/41/824627941.db2.gz IPHWFVIYWFZMKJ-YUMQZZPRSA-N 3 2 253.306 -0.286 20 0 CBADLP COC[C@@H](C)Oc1cc(NC(=O)C2([NH3+])CC[NH2+]CC2)[nH]n1 ZINC001218718205 824628026 /nfs/dbraw/zinc/62/80/26/824628026.db2.gz CUTLQDBIMXNGNZ-SECBINFHSA-N 2 2 297.359 -0.157 20 0 CBADLP CCN=c1ccc(N)cn1C(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001218740065 824629964 /nfs/dbraw/zinc/62/99/64/824629964.db2.gz PEOHZWOKDLORJW-UHFFFAOYSA-N 2 2 277.372 -0.027 20 0 CBADLP CN(C)c1cc(NC(=O)C2([NH3+])CC[NH2+]CC2)[nH]n1 ZINC001218742856 824632310 /nfs/dbraw/zinc/63/23/10/824632310.db2.gz KSTKMYPLOHAHJX-UHFFFAOYSA-N 2 2 252.322 -0.505 20 0 CBADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1cc(Cl)nc2ccnn21 ZINC001218745135 824633199 /nfs/dbraw/zinc/63/31/99/824633199.db2.gz GTZKKPZBSGYISB-LURJTMIESA-N 2 2 268.708 -0.003 20 0 CBADLP CC1(C)COc2cc(NC(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])nn2C1 ZINC001218747113 824633488 /nfs/dbraw/zinc/63/34/88/824633488.db2.gz VASHVJJRVXHQGV-IUCAKERBSA-N 2 2 279.344 -0.213 20 0 CBADLP CC1(C)COc2cc(NC(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)nn2C1 ZINC001218747249 824633771 /nfs/dbraw/zinc/63/37/71/824633771.db2.gz XYAJMXQARYSKPZ-BDAKNGLRSA-N 2 2 279.344 -0.071 20 0 CBADLP Cc1cnn(CCO)c1NC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001218755233 824634359 /nfs/dbraw/zinc/63/43/59/824634359.db2.gz VZWQGTWOSOGGIC-NSHDSACASA-N 2 2 292.343 -0.574 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1cnn2c1OCCC2 ZINC001218794037 824639915 /nfs/dbraw/zinc/63/99/15/824639915.db2.gz LDVFWOZJUMZFOD-JTQLQIEISA-N 2 2 290.327 -0.092 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2ccc3c(c2)OCC(=O)N3)C1 ZINC001218850478 824642809 /nfs/dbraw/zinc/64/28/09/824642809.db2.gz NPKDMRFSZYDJQR-XCBNKYQSSA-N 2 2 276.296 -0.355 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2ccc3c(cnn3CCO)c2)C1 ZINC001218878285 824646027 /nfs/dbraw/zinc/64/60/27/824646027.db2.gz BMSPDXCQNFXMSY-PWSUYJOCSA-N 2 2 289.339 -0.344 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc2c(c1)CCNC2=O ZINC001218935807 824648695 /nfs/dbraw/zinc/64/86/95/824648695.db2.gz LVMGJTKTIVWEBB-RYUDHWBXSA-N 2 2 274.324 -0.542 20 0 CBADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1ccc2[nH]c(CO)nc2c1 ZINC001218956293 824650058 /nfs/dbraw/zinc/65/00/58/824650058.db2.gz RSQZGXQCIPXZGD-QMMMGPOBSA-N 2 2 263.301 -0.330 20 0 CBADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1cccc(-n2nccn2)c1 ZINC001218984944 824651392 /nfs/dbraw/zinc/65/13/92/824651392.db2.gz RTGQGKILYHFMHF-NSHDSACASA-N 2 2 260.301 -0.118 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC001219029892 824653840 /nfs/dbraw/zinc/65/38/40/824653840.db2.gz SIGKDHZZQHOSAR-RYUDHWBXSA-N 3 2 276.340 -0.346 20 0 CBADLP COc1ccc(CO)c(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])c1 ZINC001219074360 824654306 /nfs/dbraw/zinc/65/43/06/824654306.db2.gz HCJBSVONEFNPOT-QWRGUYRKSA-N 2 2 265.313 -0.327 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)C1 ZINC001219028325 824654446 /nfs/dbraw/zinc/65/44/46/824654446.db2.gz ZUUWLXYYTBOJOZ-PWSUYJOCSA-N 3 2 276.340 -0.204 20 0 CBADLP COC(=O)c1cc(O)c(F)cc1NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001219080459 824655124 /nfs/dbraw/zinc/65/51/24/824655124.db2.gz AOWBWZFQKZDMBI-CBAPKCEASA-N 2 2 297.286 -0.197 20 0 CBADLP COc1cc2nc[nH]c(=O)c2cc1NC(=O)[C@@H]([NH3+])CC[NH3+] ZINC001219263876 824682869 /nfs/dbraw/zinc/68/28/69/824682869.db2.gz HUNCKLJQYQFPDM-QMMMGPOBSA-N 2 2 291.311 -0.041 20 0 CBADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1cccc2c1NC(=O)NC2 ZINC001219335457 824692788 /nfs/dbraw/zinc/69/27/88/824692788.db2.gz ZYAPJSPRLQBLMC-QMMMGPOBSA-N 2 2 263.301 -0.064 20 0 CBADLP COC(=O)[C@@H]([NH3+])CC(=O)Nc1ccc(C[NH3+])cc1 ZINC001219345419 824694920 /nfs/dbraw/zinc/69/49/20/824694920.db2.gz MXTSKRRIEBTPJI-JTQLQIEISA-N 2 2 251.286 -0.026 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc2[nH]c(=O)cnc2c1 ZINC001219438563 824710527 /nfs/dbraw/zinc/71/05/27/824710527.db2.gz RVHJEAYWXVPOMQ-IUCAKERBSA-N 2 2 273.296 -0.592 20 0 CBADLP COC[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001219552433 824726453 /nfs/dbraw/zinc/72/64/53/824726453.db2.gz ADRGLTWHHZPXBI-UTUOFQBUSA-N 2 2 296.371 -0.462 20 0 CBADLP COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001219552433 824726460 /nfs/dbraw/zinc/72/64/60/824726460.db2.gz ADRGLTWHHZPXBI-UTUOFQBUSA-N 2 2 296.371 -0.462 20 0 CBADLP COCC[N@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001219551408 824727253 /nfs/dbraw/zinc/72/72/53/824727253.db2.gz ZCIWXOMRXCWYNZ-MNOVXSKESA-N 2 2 282.344 -0.850 20 0 CBADLP COCC[N@@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001219551408 824727255 /nfs/dbraw/zinc/72/72/55/824727255.db2.gz ZCIWXOMRXCWYNZ-MNOVXSKESA-N 2 2 282.344 -0.850 20 0 CBADLP [NH3+][C@@H](C(=O)NCCn1cc[nH+]c1)C1CC[NH2+]CC1 ZINC001219563707 824731460 /nfs/dbraw/zinc/73/14/60/824731460.db2.gz IZZHPIPRUJTRHQ-LLVKDONJSA-N 3 2 251.334 -0.674 20 0 CBADLP O=C(NCCN1CCCCC1=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001219567337 824732061 /nfs/dbraw/zinc/73/20/61/824732061.db2.gz GQAWWVSZVJIMLF-RISCZKNCSA-N 2 2 280.372 -0.933 20 0 CBADLP C[S@@](=O)CC[C@H]([NH3+])C(=O)NCCn1cc[nH+]c1 ZINC001219564275 824732187 /nfs/dbraw/zinc/73/21/87/824732187.db2.gz WIMVZTZTNLQWBB-HUTHGQBESA-N 2 2 258.347 -0.905 20 0 CBADLP C[C@H]1CC[C@H](NC(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)C[NH2+]1 ZINC001219582907 824735597 /nfs/dbraw/zinc/73/55/97/824735597.db2.gz NUFQSTOBUNEDHA-SRRSOLGSSA-N 3 2 252.362 -0.805 20 0 CBADLP C[C@H]1CC[C@H](NC(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)C[NH2+]1 ZINC001219582908 824736241 /nfs/dbraw/zinc/73/62/41/824736241.db2.gz NUFQSTOBUNEDHA-ZPFDUUQYSA-N 3 2 252.362 -0.805 20 0 CBADLP Cc1cnc(CCNC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)nc1 ZINC001219600789 824741348 /nfs/dbraw/zinc/74/13/48/824741348.db2.gz GBLXQCVQEIQFIG-SDDRHHMPSA-N 2 2 275.356 -0.606 20 0 CBADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H](O)c1ccco1 ZINC001219603605 824742129 /nfs/dbraw/zinc/74/21/29/824742129.db2.gz ALJZJCXWFXOEHV-UWVGGRQHSA-N 2 2 264.285 -0.278 20 0 CBADLP CC(F)(F)CNC(=O)[C@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001219601668 824742232 /nfs/dbraw/zinc/74/22/32/824742232.db2.gz WGPHKOGIHYKDMM-SECBINFHSA-N 2 2 264.320 -0.492 20 0 CBADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219608089 824853351 /nfs/dbraw/zinc/85/33/51/824853351.db2.gz OOMGWLOMNBQYDF-SCZZXKLOSA-N 3 2 291.277 -0.310 20 0 CBADLP O=C(N[C@]1(C(F)(F)F)CC[NH2+]C1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001219610412 824855010 /nfs/dbraw/zinc/85/50/10/824855010.db2.gz NLBAYXGYJDCKEC-WYOJIJJFSA-N 3 2 292.305 -0.653 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219616264 824855999 /nfs/dbraw/zinc/85/59/99/824855999.db2.gz UTWXUFFUKNANEY-GXSJLCMTSA-N 2 2 256.281 -0.869 20 0 CBADLP O=C(NCCN1CCCCO1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001219632559 824866128 /nfs/dbraw/zinc/86/61/28/824866128.db2.gz OWLMYMLIODQQKZ-SDDRHHMPSA-N 2 2 268.361 -0.920 20 0 CBADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NCCN1CCCCO1 ZINC001219632896 824866492 /nfs/dbraw/zinc/86/64/92/824866492.db2.gz SUIIXHJAMNKVEY-LLVKDONJSA-N 2 2 267.333 -0.577 20 0 CBADLP O=C(NCCN1CCCCO1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001219632366 824866593 /nfs/dbraw/zinc/86/65/93/824866593.db2.gz LJFOTLJEQXVTGJ-YPMHNXCESA-N 2 2 268.361 -0.919 20 0 CBADLP C[C@H]1OCC[C@H]1CNC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001219634289 824868102 /nfs/dbraw/zinc/86/81/02/824868102.db2.gz RQMOILIBYUQNII-TUTUZKQUSA-N 2 2 253.346 -0.251 20 0 CBADLP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@H](CO)n2cc[nH+]c2)C1 ZINC001219640913 824869660 /nfs/dbraw/zinc/86/96/60/824869660.db2.gz DCCPGRSEPWRDJT-SRVKXCTJSA-N 2 2 266.345 -0.222 20 0 CBADLP C[C@H]1C[NH2+]C[C@H](CNC(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)C1 ZINC001219640874 824870483 /nfs/dbraw/zinc/87/04/83/824870483.db2.gz CMIUTWXUVXLVAZ-WZRBSPASSA-N 3 2 279.388 -0.348 20 0 CBADLP COC(=O)[C@@H]1C[C@H](C(=O)NC[C@@H]2C[NH2+]C[C@H](C)C2)CC[NH2+]1 ZINC001219646798 824872540 /nfs/dbraw/zinc/87/25/40/824872540.db2.gz XZYPUUUKYSIQFK-XQHKEYJVSA-N 2 2 297.399 -0.111 20 0 CBADLP COC(=O)[C@@H]1C[C@H](C(=O)NC[C@H]2C[NH2+]C[C@@H](C)C2)CC[NH2+]1 ZINC001219646795 824873067 /nfs/dbraw/zinc/87/30/67/824873067.db2.gz XZYPUUUKYSIQFK-LOWDOPEQSA-N 2 2 297.399 -0.111 20 0 CBADLP C[C@H]1C[NH2+]C[C@@H](CNC(=O)c2cnc3n2CC[NH2+]C3)C1 ZINC001219664255 824876996 /nfs/dbraw/zinc/87/69/96/824876996.db2.gz WZKZSWYUYYVVSO-MNOVXSKESA-N 2 2 277.372 -0.038 20 0 CBADLP Cc1ccc2c(c1)[C@@H](NC(=O)[C@@H]([NH3+])CC[NH3+])C(=O)N2 ZINC001219686935 824880208 /nfs/dbraw/zinc/88/02/08/824880208.db2.gz AQFRNQOCTVUQLL-GXSJLCMTSA-N 2 2 262.313 -0.219 20 0 CBADLP C[N@H+]1CCO[C@H](CNC(=O)C[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001219695260 824881038 /nfs/dbraw/zinc/88/10/38/824881038.db2.gz SOEXQBXRVQWPMD-NWDGAFQWSA-N 3 2 272.393 -0.720 20 0 CBADLP C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C1 ZINC001219695772 824880755 /nfs/dbraw/zinc/88/07/55/824880755.db2.gz YAVXKSMSMADVPK-OLZOCXBDSA-N 3 2 296.415 -0.693 20 0 CBADLP C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C1 ZINC001219695772 824880759 /nfs/dbraw/zinc/88/07/59/824880759.db2.gz YAVXKSMSMADVPK-OLZOCXBDSA-N 3 2 296.415 -0.693 20 0 CBADLP C[N@@H+]1CCO[C@H](CNC(=O)C[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001219695260 824881032 /nfs/dbraw/zinc/88/10/32/824881032.db2.gz SOEXQBXRVQWPMD-NWDGAFQWSA-N 3 2 272.393 -0.720 20 0 CBADLP C[C@@H](OC(C)(C)C)[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC001219695248 824881255 /nfs/dbraw/zinc/88/12/55/824881255.db2.gz SELBILOTCDNBHM-IJLUTSLNSA-N 2 2 287.404 -0.036 20 0 CBADLP C[C@@H](OC(C)(C)C)[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC001219695248 824881259 /nfs/dbraw/zinc/88/12/59/824881259.db2.gz SELBILOTCDNBHM-IJLUTSLNSA-N 2 2 287.404 -0.036 20 0 CBADLP C[NH2+][C@@H](CCCC[NH3+])C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC001219694193 824881288 /nfs/dbraw/zinc/88/12/88/824881288.db2.gz GUKWOLJIPFLREJ-NEPJUHHUSA-N 3 2 272.393 -0.850 20 0 CBADLP C[NH2+][C@@H](CCCC[NH3+])C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC001219694193 824881293 /nfs/dbraw/zinc/88/12/93/824881293.db2.gz GUKWOLJIPFLREJ-NEPJUHHUSA-N 3 2 272.393 -0.850 20 0 CBADLP CN(C(=O)CCNC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2)C1CC1 ZINC001219693457 824881437 /nfs/dbraw/zinc/88/14/37/824881437.db2.gz YHYYXQZHXCTRLM-YGRLFVJLSA-N 2 2 280.372 -0.935 20 0 CBADLP CN(C(=O)CCNC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2)C1CC1 ZINC001219693456 824882085 /nfs/dbraw/zinc/88/20/85/824882085.db2.gz YHYYXQZHXCTRLM-QMTHXVAHSA-N 2 2 280.372 -0.935 20 0 CBADLP O=C(NC[C@@]1(F)CCC[NH2+]C1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001219767766 824891934 /nfs/dbraw/zinc/89/19/34/824891934.db2.gz DVNNXXMRSSOCPW-MEWQQHAOSA-N 3 2 270.352 -0.856 20 0 CBADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)NC2CC3(C2)CC[NH2+]CC3)C1 ZINC001219777838 824893538 /nfs/dbraw/zinc/89/35/38/824893538.db2.gz RXFANAPPGTVFBN-ONGXEEELSA-N 3 2 252.362 -0.676 20 0 CBADLP [NH3+][C@H](Cc1c[nH]cn1)C(=O)NCc1noc2c1C[NH2+]CC2 ZINC001219809295 824894937 /nfs/dbraw/zinc/89/49/37/824894937.db2.gz HWOQHWVALGCAPB-SNVBAGLBSA-N 2 2 290.327 -0.770 20 0 CBADLP [NH3+][C@H](Cc1cnc[nH]1)C(=O)NCc1noc2c1C[NH2+]CC2 ZINC001219809295 824894941 /nfs/dbraw/zinc/89/49/41/824894941.db2.gz HWOQHWVALGCAPB-SNVBAGLBSA-N 2 2 290.327 -0.770 20 0 CBADLP [NH3+][C@@H](Cc1c[nH]cn1)C(=O)NCc1noc2c1C[NH2+]CC2 ZINC001219809292 824895717 /nfs/dbraw/zinc/89/57/17/824895717.db2.gz HWOQHWVALGCAPB-JTQLQIEISA-N 2 2 290.327 -0.770 20 0 CBADLP [NH3+][C@@H](Cc1cnc[nH]1)C(=O)NCc1noc2c1C[NH2+]CC2 ZINC001219809292 824895723 /nfs/dbraw/zinc/89/57/23/824895723.db2.gz HWOQHWVALGCAPB-JTQLQIEISA-N 2 2 290.327 -0.770 20 0 CBADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)NC2CC[NH+](C3CC[NH2+]CC3)CC2)C1 ZINC001219796386 824896168 /nfs/dbraw/zinc/89/61/68/824896168.db2.gz YGQHEDQJZKPLGE-FZMZJTMJSA-N 4 2 295.431 -0.992 20 0 CBADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N[C@@H]2CC[NH2+][C@H]2c2ccccc2)C1 ZINC001219818804 824897455 /nfs/dbraw/zinc/89/74/55/824897455.db2.gz OABZPJNMLROWBP-CRWXNKLISA-N 3 2 274.368 -0.105 20 0 CBADLP C[N@H+](CC(=O)N[C@@H]1C[NH+](CCF)C[C@@H]1O)C1CCC1 ZINC001219813739 824898218 /nfs/dbraw/zinc/89/82/18/824898218.db2.gz BPNYOHIIEJKTHF-NEPJUHHUSA-N 2 2 273.352 -0.399 20 0 CBADLP C[NH+](CC(=O)N[C@@H]1C[N@H+](CCF)C[C@@H]1O)C1CCC1 ZINC001219813739 824898228 /nfs/dbraw/zinc/89/82/28/824898228.db2.gz BPNYOHIIEJKTHF-NEPJUHHUSA-N 2 2 273.352 -0.399 20 0 CBADLP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CCF)C[C@@H]1O)C1CCC1 ZINC001219813739 824898230 /nfs/dbraw/zinc/89/82/30/824898230.db2.gz BPNYOHIIEJKTHF-NEPJUHHUSA-N 2 2 273.352 -0.399 20 0 CBADLP [NH3+]C1(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)CC[NH2+]CC1 ZINC001219866015 824904033 /nfs/dbraw/zinc/90/40/33/824904033.db2.gz YXRVPBBNJQGTKU-QWHCGFSZSA-N 2 2 275.352 -0.158 20 0 CBADLP O=C(N[C@@H]1c2ccccc2C[C@@H]1O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001219865211 824904062 /nfs/dbraw/zinc/90/40/62/824904062.db2.gz GQGBAGYCUSWQQU-ZIEJDFEHSA-N 2 2 287.363 -0.288 20 0 CBADLP CC[C@H](C)[C@@H](CO)NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001219882317 824907190 /nfs/dbraw/zinc/90/71/90/824907190.db2.gz BTALSLLRMCDWKG-JMJZKYOTSA-N 2 2 254.334 -0.197 20 0 CBADLP CC(C)OC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001219881282 824908140 /nfs/dbraw/zinc/90/81/40/824908140.db2.gz VWWRFDSUHLWMLL-ONGXEEELSA-N 2 2 282.344 -0.254 20 0 CBADLP CCOC(=O)CC(=N)NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001219883226 824909753 /nfs/dbraw/zinc/90/97/53/824909753.db2.gz RYMPUCYVHHSISQ-QMMMGPOBSA-N 2 2 267.289 -0.674 20 0 CBADLP CN1C(=O)CCC12CCC(NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)CC2 ZINC001219896373 824912554 /nfs/dbraw/zinc/91/25/54/824912554.db2.gz SIHWGTVSPZMCEU-AKUZOMFGSA-N 2 2 294.399 -0.275 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NC[C@@H](O)COc1ccccc1 ZINC001219918606 824914857 /nfs/dbraw/zinc/91/48/57/824914857.db2.gz OHRHACNQKDDCOT-WXHSDQCUSA-N 2 2 279.340 -0.911 20 0 CBADLP C[NH+](C)CCCCCNC(=O)[C@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001219920212 824915535 /nfs/dbraw/zinc/91/55/35/824915535.db2.gz BMPAEZYFLNHSAE-CQSZACIVSA-N 3 2 299.463 -0.415 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NC[C@@H]2Cc3ccccc3O2)C1 ZINC001219925676 824917105 /nfs/dbraw/zinc/91/71/05/824917105.db2.gz RZHJAQOOSWSRCV-WOPDTQHZSA-N 2 2 261.325 -0.205 20 0 CBADLP Cc1cc(CNC(=O)C[NH2+]C2CC[NH2+]CC2)[nH]n1 ZINC001219943520 824918311 /nfs/dbraw/zinc/91/83/11/824918311.db2.gz LYFBQRRWKAPZMH-UHFFFAOYSA-N 2 2 251.334 -0.324 20 0 CBADLP Cc1cc(CNC(=O)C[NH2+]C2CC[NH2+]CC2)n[nH]1 ZINC001219943520 824918315 /nfs/dbraw/zinc/91/83/15/824918315.db2.gz LYFBQRRWKAPZMH-UHFFFAOYSA-N 2 2 251.334 -0.324 20 0 CBADLP C[C@@H]([NH3+])C(=O)N(c1ccc(C[NH3+])cc1)S(C)(=O)=O ZINC001219939243 824919004 /nfs/dbraw/zinc/91/90/04/824919004.db2.gz XTNFXFMMYWXRJF-MRVPVSSYSA-N 2 2 271.342 -0.215 20 0 CBADLP Cc1c[nH]c(CCNC(=O)[C@@]2(N)CCC[NH2+]C2)[nH+]1 ZINC001219952652 824920418 /nfs/dbraw/zinc/92/04/18/824920418.db2.gz ZASHFTVGWRANOT-GFCCVEGCSA-N 2 2 251.334 -0.542 20 0 CBADLP CCC[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)CC1 ZINC001219954918 824921662 /nfs/dbraw/zinc/92/16/62/824921662.db2.gz YHQPYYUNQUVWMG-PWSUYJOCSA-N 3 2 254.378 -0.334 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@H]2CCC[NH2+][C@H]2C)C[NH2+]1 ZINC001219965287 824923917 /nfs/dbraw/zinc/92/39/17/824923917.db2.gz HUACBLTUKRAKCL-VLEAKVRGSA-N 2 2 269.345 -0.606 20 0 CBADLP C[NH2+][C@@H](CC(C)C)C(=O)N[C@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001219965306 824924056 /nfs/dbraw/zinc/92/40/56/824924056.db2.gz IVPNENUICQQIIZ-VWYCJHECSA-N 2 2 271.361 -0.360 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](NC(=O)C2CC3(C[NH2+]C3)C2)C[NH2+]1 ZINC001219965266 824924814 /nfs/dbraw/zinc/92/48/14/824924814.db2.gz GKZPAIWMXOWLFB-ZJUUUORDSA-N 2 2 267.329 -0.994 20 0 CBADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)NCCn1cccc1 ZINC001219972842 824926450 /nfs/dbraw/zinc/92/64/50/824926450.db2.gz XJZFXMOLVRKCAH-CYBMUJFWSA-N 2 2 279.388 -0.645 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCc2ccc3n[nH]cc3c2)C1 ZINC001220024957 824937723 /nfs/dbraw/zinc/93/77/23/824937723.db2.gz DOCXQKLNQQVQIR-PWSUYJOCSA-N 2 2 259.313 -0.132 20 0 CBADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)NCc1ccc[nH]1 ZINC001220032983 824938891 /nfs/dbraw/zinc/93/88/91/824938891.db2.gz GPUQMUDJSJQLCM-LBPRGKRZSA-N 2 2 265.361 -0.619 20 0 CBADLP COC(=O)CCCCCNC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220048765 824943393 /nfs/dbraw/zinc/94/33/93/824943393.db2.gz WALNVWGZVDQXMK-SDDRHHMPSA-N 2 2 283.372 -0.214 20 0 CBADLP CC[N@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@@H](O)C1 ZINC001220051700 824945006 /nfs/dbraw/zinc/94/50/06/824945006.db2.gz MCVZZCFAYXHLML-MNOVXSKESA-N 2 2 266.345 -0.466 20 0 CBADLP CC[N@@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@@H](O)C1 ZINC001220051700 824945012 /nfs/dbraw/zinc/94/50/12/824945012.db2.gz MCVZZCFAYXHLML-MNOVXSKESA-N 2 2 266.345 -0.466 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NCCc1cc[nH]n1 ZINC001220061988 824946524 /nfs/dbraw/zinc/94/65/24/824946524.db2.gz IAEAOHWNABXTNV-NSHDSACASA-N 2 2 262.317 -0.628 20 0 CBADLP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001220062020 824947042 /nfs/dbraw/zinc/94/70/42/824947042.db2.gz JJSNVTCNWXZIEP-MNOVXSKESA-N 2 2 295.391 -0.550 20 0 CBADLP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001220062020 824947050 /nfs/dbraw/zinc/94/70/50/824947050.db2.gz JJSNVTCNWXZIEP-MNOVXSKESA-N 2 2 295.391 -0.550 20 0 CBADLP CCOC(=O)C(C)(C)NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220064000 824948252 /nfs/dbraw/zinc/94/82/52/824948252.db2.gz MLGHJCLDWCUHEX-VIFPVBQESA-N 2 2 268.317 -0.263 20 0 CBADLP Cc1[nH+]c(N)ccc1CNC(=O)[C@@H]([NH3+])Cc1c[nH]cn1 ZINC001220069861 824948784 /nfs/dbraw/zinc/94/87/84/824948784.db2.gz QABJSRSFUICIQU-NSHDSACASA-N 2 2 274.328 -0.118 20 0 CBADLP Cc1[nH+]c(N)ccc1CNC(=O)[C@@H]([NH3+])Cc1cnc[nH]1 ZINC001220069861 824948792 /nfs/dbraw/zinc/94/87/92/824948792.db2.gz QABJSRSFUICIQU-NSHDSACASA-N 2 2 274.328 -0.118 20 0 CBADLP COCC1(NC(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)CCC1 ZINC001220064087 824948946 /nfs/dbraw/zinc/94/89/46/824948946.db2.gz QKYYZHBYUTUDIJ-ZWNOBZJWSA-N 2 2 253.346 -0.377 20 0 CBADLP COCC1(NC(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)CCC1 ZINC001220064085 824949040 /nfs/dbraw/zinc/94/90/40/824949040.db2.gz QKYYZHBYUTUDIJ-GXFFZTMASA-N 2 2 253.346 -0.377 20 0 CBADLP CCOC(=O)C(C)(C)NC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220063932 824949145 /nfs/dbraw/zinc/94/91/45/824949145.db2.gz KFNVVZYJOZYXFU-NOZJJQNGSA-N 2 2 269.345 -0.604 20 0 CBADLP CCOC(=O)C(C)(C)NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001220064059 824949299 /nfs/dbraw/zinc/94/92/99/824949299.db2.gz OTHIQODRJNBPRV-KKFJDGPESA-N 2 2 269.345 -0.334 20 0 CBADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@@H+](CCCF)C[C@@H]1O ZINC001220104073 824955023 /nfs/dbraw/zinc/95/50/23/824955023.db2.gz WDJGBOGHGVHOGW-NEPJUHHUSA-N 2 2 284.335 -0.206 20 0 CBADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@H+](CCCF)C[C@@H]1O ZINC001220104073 824955029 /nfs/dbraw/zinc/95/50/29/824955029.db2.gz WDJGBOGHGVHOGW-NEPJUHHUSA-N 2 2 284.335 -0.206 20 0 CBADLP CCOC(=O)C(F)(F)CNC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220097170 824955168 /nfs/dbraw/zinc/95/51/68/824955168.db2.gz RLIDNJQHGWCELK-GZMMTYOYSA-N 2 2 291.298 -0.748 20 0 CBADLP CCOCC[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001220105750 824955914 /nfs/dbraw/zinc/95/59/14/824955914.db2.gz KKADHTMTJIMIDT-OLZOCXBDSA-N 2 2 296.371 -0.529 20 0 CBADLP CCOCC[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001220105750 824955920 /nfs/dbraw/zinc/95/59/20/824955920.db2.gz KKADHTMTJIMIDT-OLZOCXBDSA-N 2 2 296.371 -0.529 20 0 CBADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H](O)c1ccc(O)cc1 ZINC001220113220 824958090 /nfs/dbraw/zinc/95/80/90/824958090.db2.gz NRVCSEISQMIAJD-OLZOCXBDSA-N 2 2 290.323 -0.165 20 0 CBADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H](O)c1ccc(O)cc1 ZINC001220113221 824958556 /nfs/dbraw/zinc/95/85/56/824958556.db2.gz NRVCSEISQMIAJD-QWHCGFSZSA-N 2 2 290.323 -0.165 20 0 CBADLP CCC(CO)(CO)NC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001220111119 824959273 /nfs/dbraw/zinc/95/92/73/824959273.db2.gz KYXARULARAWFEE-LBPRGKRZSA-N 2 2 281.356 -0.492 20 0 CBADLP Cc1cnc(=O)[nH]c1NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220122209 824960721 /nfs/dbraw/zinc/96/07/21/824960721.db2.gz DTRPJCDDKVZNHZ-QMMMGPOBSA-N 2 2 262.273 -0.278 20 0 CBADLP CCOC(=O)C1=C(NC(=O)C2([NH3+])CC[NH2+]CC2)[C@H](C)OC1 ZINC001220139963 824964880 /nfs/dbraw/zinc/96/48/80/824964880.db2.gz YSKKUUCKOCFRNF-VIFPVBQESA-N 2 2 297.355 -0.581 20 0 CBADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NCCOC(F)(F)F ZINC001220138706 824965615 /nfs/dbraw/zinc/96/56/15/824965615.db2.gz DILTXEFCOFPXCH-SSDOTTSWSA-N 2 2 266.223 -0.068 20 0 CBADLP Cn1cc2cccc(CNC(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])c2n1 ZINC001220143803 824968232 /nfs/dbraw/zinc/96/82/32/824968232.db2.gz VXXPFTOUYAQPAR-RYUDHWBXSA-N 2 2 273.340 -0.264 20 0 CBADLP N=C(NC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2)c1nccs1 ZINC001220154093 824971430 /nfs/dbraw/zinc/97/14/30/824971430.db2.gz KPCUGINFMRTRJV-WRWORJQWSA-N 2 2 265.342 -0.464 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NC1(C(F)(F)F)CCOCC1 ZINC001220157157 824972777 /nfs/dbraw/zinc/97/27/77/824972777.db2.gz YVHWRFRWELTHCQ-YUMQZZPRSA-N 2 2 281.278 -0.239 20 0 CBADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001220158974 824973153 /nfs/dbraw/zinc/97/31/53/824973153.db2.gz KTCTXKOEXIXRAX-GBIKHYSHSA-N 2 2 293.375 -0.892 20 0 CBADLP O=C(N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220161401 824975319 /nfs/dbraw/zinc/97/53/19/824975319.db2.gz CGJAHHJFMBABAZ-VDERGJSUSA-N 3 2 292.427 -0.024 20 0 CBADLP CCC1(CNC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)COC1 ZINC001220170376 824975966 /nfs/dbraw/zinc/97/59/66/824975966.db2.gz JEJPVOJPPHEZFZ-BREBYQMCSA-N 2 2 253.346 -0.249 20 0 CBADLP C[C@H](NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)c1cncnc1 ZINC001220183330 824980525 /nfs/dbraw/zinc/98/05/25/824980525.db2.gz LVRCZUQNLTVHIA-FSZOTQKASA-N 2 2 261.329 -0.396 20 0 CBADLP C[C@H](NC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2)c1cncnc1 ZINC001220183549 824981316 /nfs/dbraw/zinc/98/13/16/824981316.db2.gz SASQBQVWXAVCDS-XHVZSJERSA-N 2 2 261.329 -0.395 20 0 CBADLP [NH3+][C@@H](C(=O)NC[C@H]1CC[NH2+]CC1(F)F)C1CC[NH2+]CC1 ZINC001220187152 824982118 /nfs/dbraw/zinc/98/21/18/824982118.db2.gz ZQMAXRBLGSBCOE-GHMZBOCLSA-N 3 2 290.358 -0.326 20 0 CBADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001220185219 824983085 /nfs/dbraw/zinc/98/30/85/824983085.db2.gz CIUZVPICUBWDBS-CIUDSAMLSA-N 2 2 263.288 -0.930 20 0 CBADLP N[C@]1(C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)CC[NH2+]C1 ZINC001220189854 824983529 /nfs/dbraw/zinc/98/35/29/824983529.db2.gz WVHUCINPNQXZNB-WCBMZHEXSA-N 2 2 262.304 -0.962 20 0 CBADLP CC1(C)C[C@H](CNC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)O1 ZINC001220200188 824984639 /nfs/dbraw/zinc/98/46/39/824984639.db2.gz COTPUJNFFUMVJW-ZRUFSTJUSA-N 2 2 253.346 -0.380 20 0 CBADLP [NH3+]CCC[C@@H]([NH3+])C(=O)NCC1([NH+]2CCCC2)COC1 ZINC001220197923 824985150 /nfs/dbraw/zinc/98/51/50/824985150.db2.gz WITAPCHNNGRCQB-LLVKDONJSA-N 3 2 270.377 -0.966 20 0 CBADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)NC[C@H]2CNC(=O)C2)cc1 ZINC001220203130 824985627 /nfs/dbraw/zinc/98/56/27/824985627.db2.gz WVCISFXGCOGOAH-SKDRFNHKSA-N 2 2 276.340 -0.489 20 0 CBADLP CC1(C)C[C@H](CNC(=O)[C@@H](N)C[NH+]2CCC([NH3+])CC2)O1 ZINC001220200501 824986489 /nfs/dbraw/zinc/98/64/89/824986489.db2.gz MIRMCMROXSNUTA-NEPJUHHUSA-N 2 2 284.404 -0.580 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N[C@@H](CO)C(C)(C)C ZINC001220216885 824988520 /nfs/dbraw/zinc/98/85/20/824988520.db2.gz COLADOVWGIDGBY-QWRGUYRKSA-N 2 2 268.361 -0.187 20 0 CBADLP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220221023 824989480 /nfs/dbraw/zinc/98/94/80/824989480.db2.gz OAHYIIWSXBPNCG-UKTARXLSSA-N 3 2 280.416 -0.073 20 0 CBADLP CN1C[C@@H](CNC(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)CC1=O ZINC001220246146 824994981 /nfs/dbraw/zinc/99/49/81/824994981.db2.gz ZLVIBRDOCQLSDP-ZWNOBZJWSA-N 2 2 290.367 -0.147 20 0 CBADLP O=C(NCc1n[nH]c(=O)[nH]1)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220252275 824996319 /nfs/dbraw/zinc/99/63/19/824996319.db2.gz UGWJRJGZGNBARP-QMMMGPOBSA-N 2 2 280.332 -0.999 20 0 CBADLP C[N@@H+]1CCC[C@@H]1CCNC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001220252381 824996339 /nfs/dbraw/zinc/99/63/39/824996339.db2.gz YLRAQBXHAUYQEI-LLVKDONJSA-N 3 2 254.378 -0.332 20 0 CBADLP C[N@H+]1CCC[C@@H]1CCNC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001220252381 824996341 /nfs/dbraw/zinc/99/63/41/824996341.db2.gz YLRAQBXHAUYQEI-LLVKDONJSA-N 3 2 254.378 -0.332 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NCC(C)(C)C[NH+](C)C ZINC001220253996 824996847 /nfs/dbraw/zinc/99/68/47/824996847.db2.gz IETMFROODRNKHZ-LBPRGKRZSA-N 3 2 281.404 -0.006 20 0 CBADLP [NH3+]CCN(C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2)c1cccnc1 ZINC001220260737 824997312 /nfs/dbraw/zinc/99/73/12/824997312.db2.gz FWTLWRQCFZNKNY-BZPMIXESSA-N 3 2 275.356 -0.405 20 0 CBADLP Cc1[nH+]c[nH]c1CSCCNC(=O)[C@@]1(N)CC[NH2+]C1 ZINC001220256894 824997611 /nfs/dbraw/zinc/99/76/11/824997611.db2.gz HWYZFGUENSLPIP-GFCCVEGCSA-N 2 2 283.401 -0.242 20 0 CBADLP Cc1[nH+]c[nH]c1CSCCNC(=O)C[C@@H](O)C[NH3+] ZINC001220257407 824997989 /nfs/dbraw/zinc/99/79/89/824997989.db2.gz YASZFTWARNCHFN-SECBINFHSA-N 2 2 272.374 -0.223 20 0 CBADLP Cc1[nH+]c[nH]c1CSCCNC(=O)[C@H]1C[NH2+]C[C@@H]1O ZINC001220256938 824998089 /nfs/dbraw/zinc/99/80/89/824998089.db2.gz JJTLAQYCOYDCJF-ONGXEEELSA-N 2 2 284.385 -0.352 20 0 CBADLP [NH3+]CCN(C(=O)C[NH2+]C1CC[NH2+]CC1)c1cccnc1 ZINC001220260977 824998517 /nfs/dbraw/zinc/99/85/17/824998517.db2.gz MSBVWIWUWLNJPX-UHFFFAOYSA-N 3 2 277.372 -0.285 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC001220271018 825001260 /nfs/dbraw/zinc/00/12/60/825001260.db2.gz PYVOLVYTOBXLMZ-QWRGUYRKSA-N 2 2 287.327 -0.970 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCc2cccc(-c3nn[nH]n3)c2)C1 ZINC001220271135 825001443 /nfs/dbraw/zinc/00/14/43/825001443.db2.gz VCPLJHSZQWACKE-MNOVXSKESA-N 2 2 287.327 -0.828 20 0 CBADLP Cn1cc(CCNC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)cn1 ZINC001220277015 825002746 /nfs/dbraw/zinc/00/27/46/825002746.db2.gz XGICZLLMNBFBKP-LLVKDONJSA-N 2 2 262.317 -0.628 20 0 CBADLP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N[C@@H](CO)Cc1c[nH]c[nH+]1 ZINC001220290627 825006435 /nfs/dbraw/zinc/00/64/35/825006435.db2.gz ARSMPRFRAWPXPQ-MVWJERBFSA-N 2 2 266.345 -0.183 20 0 CBADLP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N[C@@H](CO)Cc1c[nH+]c[nH]1 ZINC001220290627 825006438 /nfs/dbraw/zinc/00/64/38/825006438.db2.gz ARSMPRFRAWPXPQ-MVWJERBFSA-N 2 2 266.345 -0.183 20 0 CBADLP [NH3+][C@@H](CC(F)F)C(=O)N[C@@H](CO)Cc1c[nH]c[nH+]1 ZINC001220291432 825007472 /nfs/dbraw/zinc/00/74/72/825007472.db2.gz UGPJRRSCFIXLMB-SFYZADRCSA-N 2 2 262.260 -0.588 20 0 CBADLP [NH3+][C@@H](CC(F)F)C(=O)N[C@@H](CO)Cc1c[nH+]c[nH]1 ZINC001220291432 825007477 /nfs/dbraw/zinc/00/74/77/825007477.db2.gz UGPJRRSCFIXLMB-SFYZADRCSA-N 2 2 262.260 -0.588 20 0 CBADLP C[C@H](NC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2)c1cnn(C)c1 ZINC001220308239 825010125 /nfs/dbraw/zinc/01/01/25/825010125.db2.gz HRMMNUJNOFYVDL-UFGOTCBOSA-N 2 2 263.345 -0.451 20 0 CBADLP C[C@@H](NC(=O)C1([NH3+])CC[NH2+]CC1)c1cnn(C)c1 ZINC001220308699 825011746 /nfs/dbraw/zinc/01/17/46/825011746.db2.gz OHNSCAQKYIWDHY-SECBINFHSA-N 2 2 251.334 -0.322 20 0 CBADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220316896 825013707 /nfs/dbraw/zinc/01/37/07/825013707.db2.gz UMJBYDSKNMAEMN-YRGRVCCFSA-N 3 2 293.371 -0.693 20 0 CBADLP O=C(N[C@@H]1CC12CCOCC2)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220329295 825016782 /nfs/dbraw/zinc/01/67/82/825016782.db2.gz LPLUQKYCXJKQRO-GYSYKLTISA-N 2 2 265.357 -0.377 20 0 CBADLP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001220333311 825016974 /nfs/dbraw/zinc/01/69/74/825016974.db2.gz TUNSOKLAWKEBHR-XQQFMLRXSA-N 3 2 268.405 -0.088 20 0 CBADLP O=C(N[C@@H]1CC12CCOCC2)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220329298 825017219 /nfs/dbraw/zinc/01/72/19/825017219.db2.gz LPLUQKYCXJKQRO-WDMOLILDSA-N 2 2 265.357 -0.377 20 0 CBADLP O=C(NCc1ccc(Cl)nn1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220368715 825021536 /nfs/dbraw/zinc/02/15/36/825021536.db2.gz KZDPBKKKEXESAW-PELKAZGASA-N 2 2 281.747 -0.302 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NCc1ccc(Cl)nn1 ZINC001220369407 825021852 /nfs/dbraw/zinc/02/18/52/825021852.db2.gz VWKPISGYNFYUJR-YUMQZZPRSA-N 2 2 255.709 -0.707 20 0 CBADLP COC(=O)c1n[nH]cc1NC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001220373739 825023553 /nfs/dbraw/zinc/02/35/53/825023553.db2.gz ZGWOFGSLZRGLSP-UHFFFAOYSA-N 2 2 281.316 -0.524 20 0 CBADLP [NH3+]Cc1ccc2c(n1)N(C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)CCC2 ZINC001220377440 825024788 /nfs/dbraw/zinc/02/47/88/825024788.db2.gz XUWVOGHJDPEEMW-PWSUYJOCSA-N 3 2 275.356 -0.491 20 0 CBADLP COC(=O)[C@@H]1CC[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)C1 ZINC001220406696 825033505 /nfs/dbraw/zinc/03/35/05/825033505.db2.gz VXSKTLDYEFAOHJ-PUHVVEEASA-N 2 2 281.356 -0.604 20 0 CBADLP COC(=O)[C@H]1CC[C@@H](NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)C1 ZINC001220406989 825033610 /nfs/dbraw/zinc/03/36/10/825033610.db2.gz ZROMIYDYZNBCKU-NGZCFLSTSA-N 2 2 280.328 -0.263 20 0 CBADLP C[S@](=O)CC[C@H]([NH3+])C(=O)NC1CC[NH+](CCF)CC1 ZINC001220436597 825038316 /nfs/dbraw/zinc/03/83/16/825038316.db2.gz XPSIWCBOBIJLFR-WLRWDXFRSA-N 2 2 293.408 -0.368 20 0 CBADLP COC(=O)[C@@H]([NH3+])CCC(=O)NC1CC[NH+](CCF)CC1 ZINC001220435217 825038979 /nfs/dbraw/zinc/03/89/79/825038979.db2.gz CYBQXCGJKCJSIR-NSHDSACASA-N 2 2 289.351 -0.183 20 0 CBADLP O=C(C[NH2+]C1CC[NH2+]CC1)NC1CC[NH+](CCF)CC1 ZINC001220435287 825039766 /nfs/dbraw/zinc/03/97/66/825039766.db2.gz GIFNQKCWUNNMGO-UHFFFAOYSA-N 3 2 286.395 -0.122 20 0 CBADLP O=C(NC1CC[NH+](CCF)CC1)[C@@H]1COCC[NH2+]1 ZINC001220435158 825039855 /nfs/dbraw/zinc/03/98/55/825039855.db2.gz AKEYSHKBMMISAM-NSHDSACASA-N 2 2 259.325 -0.475 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NC[C@@H](O)C1CCCCC1 ZINC001220467063 825045148 /nfs/dbraw/zinc/04/51/48/825045148.db2.gz LTPWDGIVRNPNJY-SDDRHHMPSA-N 2 2 255.362 -0.410 20 0 CBADLP Cc1[nH][nH]c(=O)c1CCNC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001220492560 825048580 /nfs/dbraw/zinc/04/85/80/825048580.db2.gz NBPQOADCWYVDPX-BREBYQMCSA-N 2 2 279.344 -0.696 20 0 CBADLP Cc1[nH][nH]c(=O)c1CCNC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220492495 825048845 /nfs/dbraw/zinc/04/88/45/825048845.db2.gz MOZVKQSMKVAADZ-ZANVPECISA-N 2 2 279.344 -0.966 20 0 CBADLP Cc1[nH][nH]c(=O)c1CCNC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220492800 825049716 /nfs/dbraw/zinc/04/97/16/825049716.db2.gz RVIMFFWGXHRXQK-INTQDDNPSA-N 2 2 279.344 -0.968 20 0 CBADLP [NH3+][C@H](CNC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2)c1ccccc1 ZINC001220500271 825051651 /nfs/dbraw/zinc/05/16/51/825051651.db2.gz HPJDQTKBRAADMC-GZBFAFLISA-N 3 2 274.368 -0.246 20 0 CBADLP C[C@H](NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)[C@H](O)c1cccc(O)c1 ZINC001220548806 825061737 /nfs/dbraw/zinc/06/17/37/825061737.db2.gz SSPAIQZETCTRJU-JAAHAHCPSA-N 2 2 279.340 -0.381 20 0 CBADLP O=C(NCc1cccc2ccnn21)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220554035 825062376 /nfs/dbraw/zinc/06/23/76/825062376.db2.gz XXNRUONKACMXAB-XHDPSFHLSA-N 2 2 285.351 -0.098 20 0 CBADLP C[C@H]1COCC[C@@H]1NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220564958 825063900 /nfs/dbraw/zinc/06/39/00/825063900.db2.gz IBQRLRIGFIWBMV-UHFZAUJKSA-N 2 2 253.346 -0.523 20 0 CBADLP C[C@@H]1COCC[C@@H]1NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001220565886 825064500 /nfs/dbraw/zinc/06/45/00/825064500.db2.gz UNFOTKHQRJTGQQ-HMUNZLOLSA-N 2 2 253.346 -0.251 20 0 CBADLP CC(C)(O)CCCNC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220573442 825068669 /nfs/dbraw/zinc/06/86/69/825068669.db2.gz LTDDBAAHQORYDC-MFKMUULPSA-N 2 2 255.362 -0.395 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N[C@H]1CCCN(C)C1=O ZINC001220591008 825072454 /nfs/dbraw/zinc/07/24/54/825072454.db2.gz SVNZEDKOKVIOMI-QWRGUYRKSA-N 2 2 279.344 -0.973 20 0 CBADLP CN1CCC[C@H](NC(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)C1=O ZINC001220590353 825073511 /nfs/dbraw/zinc/07/35/11/825073511.db2.gz MSRDRYACASFYHI-STQMWFEESA-N 2 2 290.367 -0.004 20 0 CBADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N[C@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1 ZINC001220680787 825084870 /nfs/dbraw/zinc/08/48/70/825084870.db2.gz RAGXESIQQYUEEP-HGCLJGPKSA-N 3 2 252.362 -0.535 20 0 CBADLP CC(C)(C)NC(=O)CCNC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001220708914 825090198 /nfs/dbraw/zinc/09/01/98/825090198.db2.gz LLDAICDJPISTEE-UHFFFAOYSA-N 2 2 270.377 -0.512 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NC1CCN(c2cc[nH+]cc2)CC1 ZINC001220743933 825094950 /nfs/dbraw/zinc/09/49/50/825094950.db2.gz VSWHPSZGSMZTSE-KBPBESRZSA-N 3 2 289.383 -0.287 20 0 CBADLP CC(=O)NCCCCCNC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001220758035 825097479 /nfs/dbraw/zinc/09/74/79/825097479.db2.gz ABGUANFGNFPOLC-BZPMIXESSA-N 2 2 282.388 -0.369 20 0 CBADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001220769937 825098847 /nfs/dbraw/zinc/09/88/47/825098847.db2.gz RJNULCRHAXRLHC-KXNHARMFSA-N 2 2 292.339 -0.914 20 0 CBADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)NC[C@@H]2CC[NH2+][C@@H]2c2cccnc2)C1 ZINC001220788593 825102902 /nfs/dbraw/zinc/10/29/02/825102902.db2.gz FHEMOSDFFAZQHA-XDQVBPFNSA-N 3 2 289.383 -0.462 20 0 CBADLP COC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001220799602 825103393 /nfs/dbraw/zinc/10/33/93/825103393.db2.gz DEWONZFHDGOZJB-FXQIFTODSA-N 2 2 297.277 -0.467 20 0 CBADLP O=C(NCCN1CCC(F)(F)C1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220808207 825104175 /nfs/dbraw/zinc/10/41/75/825104175.db2.gz LXCKQRUDUWPAEG-GARJFASQSA-N 2 2 288.342 -0.607 20 0 CBADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NCCN1CCC(F)(F)C1 ZINC001220808737 825106076 /nfs/dbraw/zinc/10/60/76/825106076.db2.gz VWGMZTIMHPRGTQ-SNVBAGLBSA-N 2 2 287.314 -0.263 20 0 CBADLP CCOC(=O)[C@@H](C)CNC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220849037 825111706 /nfs/dbraw/zinc/11/17/06/825111706.db2.gz QSFHCQXGCPMFNR-XWLWVQCSSA-N 2 2 269.345 -0.748 20 0 CBADLP CCOC(=O)[C@H](C)CNC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001220849333 825112664 /nfs/dbraw/zinc/11/26/64/825112664.db2.gz ZGQWWOVYOSPAHZ-SECBINFHSA-N 2 2 257.334 -0.617 20 0 CBADLP CCOC(=O)[C@@H](C)CNC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001220849263 825112849 /nfs/dbraw/zinc/11/28/49/825112849.db2.gz XMMQBOFEDIPWNS-ONGXEEELSA-N 2 2 282.344 -0.395 20 0 CBADLP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220857754 825114234 /nfs/dbraw/zinc/11/42/34/825114234.db2.gz QNJUIWFUWZSNCP-GBIKHYSHSA-N 3 2 254.378 -0.573 20 0 CBADLP CCC[C@@H](CCO)NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220868086 825114858 /nfs/dbraw/zinc/11/48/58/825114858.db2.gz ASKFOLNBYGOCMQ-ONGXEEELSA-N 2 2 254.334 -0.053 20 0 CBADLP COc1cncc(CNC(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)c1 ZINC001220871303 825116612 /nfs/dbraw/zinc/11/66/12/825116612.db2.gz ZMMYXYRZFDEGBQ-BXUZGUMPSA-N 2 2 276.340 -0.342 20 0 CBADLP CCn1nnc2c1[C@H](C(=O)N[C@H]1CCC[NH2+]C1)C[NH2+]C2 ZINC001220882099 825120027 /nfs/dbraw/zinc/12/00/27/825120027.db2.gz RVWKASWDHFMNRM-VHSXEESVSA-N 2 2 278.360 -0.647 20 0 CBADLP CCn1nnc2c1[C@@H](C(=O)N[C@@H]1CCC[NH2+]C1)C[NH2+]C2 ZINC001220882101 825120197 /nfs/dbraw/zinc/12/01/97/825120197.db2.gz RVWKASWDHFMNRM-ZJUUUORDSA-N 2 2 278.360 -0.647 20 0 CBADLP CCC(=O)N1CC[C@H](NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)C1 ZINC001220906942 825122028 /nfs/dbraw/zinc/12/20/28/825122028.db2.gz DDOWQOXLPKSQAN-GXSJLCMTSA-N 2 2 279.344 -0.593 20 0 CBADLP O=C(NC1(c2ncccn2)CC1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220933174 825125582 /nfs/dbraw/zinc/12/55/82/825125582.db2.gz ZUWFVBZRBOZFTL-HZMBPMFUSA-N 2 2 273.340 -0.467 20 0 CBADLP O=C(N[C@H]1CCCc2nccnc21)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220948722 825126813 /nfs/dbraw/zinc/12/68/13/825126813.db2.gz DEWGEJPNKYCLAJ-XYJRDEOASA-N 2 2 287.367 -0.080 20 0 CBADLP O=C(N[C@@H]1CCCc2nccnc21)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220948723 825126936 /nfs/dbraw/zinc/12/69/36/825126936.db2.gz DEWGEJPNKYCLAJ-ZBAXXZLZSA-N 2 2 287.367 -0.080 20 0 CBADLP O=C(N[C@@H]1CCCc2nccnc21)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220949201 825127384 /nfs/dbraw/zinc/12/73/84/825127384.db2.gz UPZKAVYKHVNBOY-HCKVZZMMSA-N 2 2 287.367 -0.078 20 0 CBADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC1(c2cnccn2)CC1 ZINC001220992239 825132740 /nfs/dbraw/zinc/13/27/40/825132740.db2.gz JIJJJIKKFAJXEU-NSHDSACASA-N 2 2 286.339 -0.083 20 0 CBADLP C[C@H]1C[C@@H](NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)CCO1 ZINC001221007812 825134524 /nfs/dbraw/zinc/13/45/24/825134524.db2.gz DJGYYCLSMILKFM-QXEWZRGKSA-N 2 2 252.318 -0.037 20 0 CBADLP C[C@H]1C[C@H](NC(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)CCO1 ZINC001221008034 825135215 /nfs/dbraw/zinc/13/52/15/825135215.db2.gz HMLMDVHAQKPULJ-UMNHJUIQSA-N 2 2 266.345 -0.026 20 0 CBADLP C[C@H]1C[C@H](NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)CCO1 ZINC001221008114 825135931 /nfs/dbraw/zinc/13/59/31/825135931.db2.gz JVNMITXLYHQOPB-KSLZLVKMSA-N 2 2 253.346 -0.108 20 0 CBADLP Cc1nnc(CNC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)o1 ZINC001221010301 825136012 /nfs/dbraw/zinc/13/60/12/825136012.db2.gz FBNVAYYHPZLXFI-XLDPMVHQSA-N 2 2 251.290 -0.784 20 0 CBADLP O=C(NCCc1nncs1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001221013416 825136680 /nfs/dbraw/zinc/13/66/80/825136680.db2.gz QSQLALQKQQYYSM-KCJUWKMLSA-N 2 2 267.358 -0.852 20 0 CBADLP COc1cccc(CNC(=O)CNC(=O)[C@@H]([NH3+])CC[NH3+])c1 ZINC001221060984 825140484 /nfs/dbraw/zinc/14/04/84/825140484.db2.gz WAJGWHDYMIWBJK-LBPRGKRZSA-N 2 2 294.355 -0.896 20 0 CBADLP O=C(NC1(c2cnccn2)CC1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001221082476 825142014 /nfs/dbraw/zinc/14/20/14/825142014.db2.gz VLINRMNNFNLPIG-IINYFYTJSA-N 2 2 273.340 -0.467 20 0 CBADLP Cc1nccnc1CNC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001221104256 825144090 /nfs/dbraw/zinc/14/40/90/825144090.db2.gz ZYCWUCGLCYOVJT-GXFFZTMASA-N 2 2 261.329 -0.647 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NC1(c2cccnc2)CC[NH2+]CC1 ZINC001221123973 825145508 /nfs/dbraw/zinc/14/55/08/825145508.db2.gz QYKCNABBKVKTEH-STQMWFEESA-N 3 2 289.383 -0.677 20 0 CBADLP O=C(NCc1ccnn1CCF)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001221105871 825145602 /nfs/dbraw/zinc/14/56/02/825145602.db2.gz DWIRMIPJIUUWLU-GWCFXTLKSA-N 2 2 281.335 -0.580 20 0 CBADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)NC2(c3cccnc3)CC[NH2+]CC2)C1 ZINC001221123961 825145613 /nfs/dbraw/zinc/14/56/13/825145613.db2.gz QIJJSMAHVLWDSV-STQMWFEESA-N 3 2 289.383 -0.534 20 0 CBADLP COCCC1([NH3+])CCN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)CC1 ZINC001221134150 825146837 /nfs/dbraw/zinc/14/68/37/825146837.db2.gz NEASDRAQERNTKE-JMSVASOKSA-N 3 2 296.415 -0.435 20 0 CBADLP COCC[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@@H](O)C1 ZINC001221154330 825149057 /nfs/dbraw/zinc/14/90/57/825149057.db2.gz LMSQRSDQVINHIO-OLZOCXBDSA-N 2 2 296.371 -0.529 20 0 CBADLP COCC[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@@H](O)C1 ZINC001221154330 825149068 /nfs/dbraw/zinc/14/90/68/825149068.db2.gz LMSQRSDQVINHIO-OLZOCXBDSA-N 2 2 296.371 -0.529 20 0 CBADLP CCn1cc(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])ccc1=O ZINC001221176741 825150132 /nfs/dbraw/zinc/15/01/32/825150132.db2.gz LHCBWRNCIQRTKL-UWVGGRQHSA-N 2 2 250.302 -0.647 20 0 CBADLP COCC1(CNC(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)CCOCC1 ZINC001221176767 825150550 /nfs/dbraw/zinc/15/05/50/825150550.db2.gz MAOXBQVALAYYAK-WFASDCNBSA-N 2 2 297.399 -0.503 20 0 CBADLP COCC1(CNC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)CCOCC1 ZINC001221176992 825151891 /nfs/dbraw/zinc/15/18/91/825151891.db2.gz WVRNZDLVHWRLQI-LBPRGKRZSA-N 2 2 296.371 -0.161 20 0 CBADLP C[S@@](=O)CC[C@H]([NH3+])C(=O)NC1C[NH+](C(C)(C)C)C1 ZINC001221194476 825152949 /nfs/dbraw/zinc/15/29/49/825152949.db2.gz REAWQPKXSQQDFH-XTZNXHDOSA-N 2 2 275.418 -0.319 20 0 CBADLP COC(=O)[C@H](CCc1cn(C)c[nH+]1)NC(=O)[C@@H](C)[NH3+] ZINC001221256522 825162061 /nfs/dbraw/zinc/16/20/61/825162061.db2.gz AYAUUHAPJSBFCI-SCZZXKLOSA-N 2 2 268.317 -0.642 20 0 CBADLP CC(C)(O)[C@H](F)CNC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001221260111 825163356 /nfs/dbraw/zinc/16/33/56/825163356.db2.gz HVBCHZDPWBOWBL-DTWKUNHWSA-N 2 2 258.297 -0.495 20 0 CBADLP CCOC(=O)/C=C(/NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)OCC ZINC001221262884 825163699 /nfs/dbraw/zinc/16/36/99/825163699.db2.gz SOUHIWCEGDLFDA-RHGXDNFBSA-N 2 2 297.355 -0.507 20 0 CBADLP CCOC(=O)C=C(NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1)OCC ZINC001221262562 825164381 /nfs/dbraw/zinc/16/43/81/825164381.db2.gz IBGAPHCIPLFKDO-CHPNCVJKSA-N 2 2 296.327 -0.163 20 0 CBADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCCNC(=O)C1 ZINC001221269394 825165490 /nfs/dbraw/zinc/16/54/90/825165490.db2.gz MCOHCTPIYBLYKY-SCZZXKLOSA-N 2 2 265.317 -0.936 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NCCCCCO ZINC001221279967 825166541 /nfs/dbraw/zinc/16/65/41/825166541.db2.gz KWBVROGGCVRQMR-NSHDSACASA-N 2 2 254.334 -0.431 20 0 CBADLP [NH3+]C1(C(=O)NCCNC(=O)c2cccs2)CC[NH2+]CC1 ZINC001221308919 825167866 /nfs/dbraw/zinc/16/78/66/825167866.db2.gz BBMVBBDRZZDOMW-UHFFFAOYSA-N 2 2 296.396 -0.325 20 0 CBADLP Cn1ncc2c1cccc2CNC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001221305225 825168228 /nfs/dbraw/zinc/16/82/28/825168228.db2.gz AFTQEFAEQPDGRP-RYUDHWBXSA-N 2 2 273.340 -0.264 20 0 CBADLP O=C(N[C@H]1CCC[C@H]1CO)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001221306569 825168624 /nfs/dbraw/zinc/16/86/24/825168624.db2.gz VAAPLYNHCDOZHL-MRBYEJRBSA-N 2 2 253.346 -0.785 20 0 CBADLP Cc1cnc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)c(=O)[nH]1 ZINC001221327855 825171011 /nfs/dbraw/zinc/17/10/11/825171011.db2.gz GRPAQCKSYXJOJW-VIFPVBQESA-N 2 2 276.300 -0.680 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N[C@H]1[C@@H]2COC[C@@H]21 ZINC001221338697 825173556 /nfs/dbraw/zinc/17/35/56/825173556.db2.gz BBGDEYZBBSWMDB-ZRUFSTJUSA-N 2 2 250.302 -0.949 20 0 CBADLP CC1(C)C(=O)NC[C@H]1NC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001221368563 825177633 /nfs/dbraw/zinc/17/76/33/825177633.db2.gz GISKKWZHBHIHGD-VXGBXAGGSA-N 2 2 290.367 -0.101 20 0 CBADLP [NH3+]CCC[C@@H]([NH3+])C(=O)NCCOc1cc[nH+]cc1 ZINC001221394200 825180835 /nfs/dbraw/zinc/18/08/35/825180835.db2.gz YHEGMELJZZTMOD-LLVKDONJSA-N 3 2 252.318 -0.357 20 0 CBADLP O=C(NCCOc1cc[nH+]cc1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001221394134 825181141 /nfs/dbraw/zinc/18/11/41/825181141.db2.gz WONTXMZGUFBJKN-LBPRGKRZSA-N 3 2 276.340 -0.614 20 0 CBADLP [NH3+]C1(C(=O)NCCOc2ccncc2)CC[NH2+]CC1 ZINC001221393517 825181481 /nfs/dbraw/zinc/18/14/81/825181481.db2.gz FVLPNBCRPXASEN-UHFFFAOYSA-N 2 2 264.329 -0.343 20 0 CBADLP O=C(C[C@@H]1COCC[NH2+]1)NCCOc1cc[nH+]cc1 ZINC001221394264 825181743 /nfs/dbraw/zinc/18/17/43/825181743.db2.gz YRUGTAKIKRFUJV-LLVKDONJSA-N 2 2 265.313 -0.045 20 0 CBADLP CC(C)N(C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)C(C)(C)C[NH3+] ZINC001221394260 825181888 /nfs/dbraw/zinc/18/18/88/825181888.db2.gz LFJOHLLOWQMWLH-SDDRHHMPSA-N 3 2 268.405 -0.089 20 0 CBADLP C[C@@]1(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)CCCOC1 ZINC001221402913 825182774 /nfs/dbraw/zinc/18/27/74/825182774.db2.gz NQUPNRHTKXOKKQ-WFFHOREQSA-N 2 2 253.346 -0.107 20 0 CBADLP C[C@]1(NC(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)CCCOC1 ZINC001221402348 825183333 /nfs/dbraw/zinc/18/33/33/825183333.db2.gz DRZHZOZYMHITPE-WXHSDQCUSA-N 2 2 253.346 -0.377 20 0 CBADLP COc1cccc([C@H](C[NH3+])NC(=O)[C@@H]2C[C@H]([NH3+])C[NH2+]2)c1 ZINC001221402694 825183360 /nfs/dbraw/zinc/18/33/60/825183360.db2.gz CTQHZEYYUYAOLU-DRZSPHRISA-N 3 2 278.356 -0.500 20 0 CBADLP Cc1nc(CNC(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)n[nH]1 ZINC001221406548 825184730 /nfs/dbraw/zinc/18/47/30/825184730.db2.gz GKKPKBXYGBKDJP-JTQLQIEISA-N 2 2 278.360 -0.396 20 0 CBADLP CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])[C@@H](C)C1 ZINC001221409530 825185321 /nfs/dbraw/zinc/18/53/21/825185321.db2.gz OSQYEBRINRIXBZ-ZDEQEGDKSA-N 3 2 268.405 -0.232 20 0 CBADLP CC(C)[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])[C@@H](C)C1 ZINC001221409530 825185326 /nfs/dbraw/zinc/18/53/26/825185326.db2.gz OSQYEBRINRIXBZ-ZDEQEGDKSA-N 3 2 268.405 -0.232 20 0 CBADLP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])[C@@H](C)C1 ZINC001221409527 825185339 /nfs/dbraw/zinc/18/53/39/825185339.db2.gz OSQYEBRINRIXBZ-CYDGBPFRSA-N 3 2 268.405 -0.232 20 0 CBADLP CC(C)[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])[C@@H](C)C1 ZINC001221409527 825185345 /nfs/dbraw/zinc/18/53/45/825185345.db2.gz OSQYEBRINRIXBZ-CYDGBPFRSA-N 3 2 268.405 -0.232 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N[C@@H](C2CCC2)C2C[NH2+]C2)C1 ZINC001221411416 825187636 /nfs/dbraw/zinc/18/76/36/825187636.db2.gz WBYZVHCCHPMEAU-WOPDTQHZSA-N 3 2 252.362 -0.820 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N[C@H](C1CCC1)C1C[NH2+]C1 ZINC001221414845 825187910 /nfs/dbraw/zinc/18/79/10/825187910.db2.gz UDDOLCLTHLSYBZ-SDDRHHMPSA-N 3 2 252.362 -0.963 20 0 CBADLP CCC[N@H+](C)CCC(=O)N1C[C@H]2CC[NH+](CC(N)=O)C[C@H]21 ZINC001221968850 825196818 /nfs/dbraw/zinc/19/68/18/825196818.db2.gz DCHFFIYSHFHQTN-CHWSQXEVSA-N 2 2 296.415 -0.264 20 0 CBADLP CCC[N@@H+](C)CCC(=O)N1C[C@H]2CC[NH+](CC(N)=O)C[C@H]21 ZINC001221968850 825196820 /nfs/dbraw/zinc/19/68/20/825196820.db2.gz DCHFFIYSHFHQTN-CHWSQXEVSA-N 2 2 296.415 -0.264 20 0 CBADLP CCC[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](CC(N)=O)C[C@H]21 ZINC001221968850 825196825 /nfs/dbraw/zinc/19/68/25/825196825.db2.gz DCHFFIYSHFHQTN-CHWSQXEVSA-N 2 2 296.415 -0.264 20 0 CBADLP CCC[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+](CC(N)=O)C[C@H]21 ZINC001221968850 825196829 /nfs/dbraw/zinc/19/68/29/825196829.db2.gz DCHFFIYSHFHQTN-CHWSQXEVSA-N 2 2 296.415 -0.264 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC1CC[NH+](CCOCCO)CC1 ZINC001229355908 825330733 /nfs/dbraw/zinc/33/07/33/825330733.db2.gz OTELKCHMQWBNOY-UHFFFAOYSA-N 2 2 296.371 -0.458 20 0 CBADLP CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001230347519 825346616 /nfs/dbraw/zinc/34/66/16/825346616.db2.gz CYSYDHCQOUZKCK-VXGBXAGGSA-N 2 2 293.371 -0.354 20 0 CBADLP CCOCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001231369820 825405435 /nfs/dbraw/zinc/40/54/35/825405435.db2.gz WLBWKQUXYRQXDB-UONOGXRCSA-N 2 2 299.415 -0.114 20 0 CBADLP CCOCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001231369820 825405439 /nfs/dbraw/zinc/40/54/39/825405439.db2.gz WLBWKQUXYRQXDB-UONOGXRCSA-N 2 2 299.415 -0.114 20 0 CBADLP CCOCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001231369820 825405441 /nfs/dbraw/zinc/40/54/41/825405441.db2.gz WLBWKQUXYRQXDB-UONOGXRCSA-N 2 2 299.415 -0.114 20 0 CBADLP CCOCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001231369820 825405444 /nfs/dbraw/zinc/40/54/44/825405444.db2.gz WLBWKQUXYRQXDB-UONOGXRCSA-N 2 2 299.415 -0.114 20 0 CBADLP CC(C)(CN1CC[NH2+]C[C@]12CC[NH2+]C2)[NH+]1CCOCC1 ZINC001234982512 825480578 /nfs/dbraw/zinc/48/05/78/825480578.db2.gz UCDCJXNRZRDWER-OAHLLOKOSA-N 3 2 282.432 -0.266 20 0 CBADLP CC1(C)OC[C@H](C[N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)O1 ZINC001235052983 825483796 /nfs/dbraw/zinc/48/37/96/825483796.db2.gz HUAPSAHATZDIRQ-WCQYABFASA-N 2 2 255.362 -0.225 20 0 CBADLP CC1(C)OC[C@H](C[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)O1 ZINC001235052983 825483801 /nfs/dbraw/zinc/48/38/01/825483801.db2.gz HUAPSAHATZDIRQ-WCQYABFASA-N 2 2 255.362 -0.225 20 0 CBADLP [NH3+]CCCC[N@@H+]1CC[NH2+]C[C@]2(CCCC(=O)N2)C1 ZINC001235173653 825487103 /nfs/dbraw/zinc/48/71/03/825487103.db2.gz DJRWKLQDHBBNOM-CYBMUJFWSA-N 3 2 254.378 -0.331 20 0 CBADLP [NH3+]CCCC[N@H+]1CC[NH2+]C[C@]2(CCCC(=O)N2)C1 ZINC001235173653 825487107 /nfs/dbraw/zinc/48/71/07/825487107.db2.gz DJRWKLQDHBBNOM-CYBMUJFWSA-N 3 2 254.378 -0.331 20 0 CBADLP C[C@H]([NH3+])C[NH+]1CCC(C(=O)N2CC[NH2+]CC2)CC1 ZINC001235298538 825491899 /nfs/dbraw/zinc/49/18/99/825491899.db2.gz HDTFBNWCBPDWPQ-NSHDSACASA-N 3 2 254.378 -0.523 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CC[C@@H]1CN(C)C(=O)C[NH+](C)C1CCC1 ZINC001235395933 825494630 /nfs/dbraw/zinc/49/46/30/825494630.db2.gz YYGUWEUVYLWJPX-DGCLKSJQSA-N 2 2 296.415 -0.123 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CC[C@@H]1CN(C)C(=O)C[NH+](C)C1CCC1 ZINC001235395933 825494634 /nfs/dbraw/zinc/49/46/34/825494634.db2.gz YYGUWEUVYLWJPX-DGCLKSJQSA-N 2 2 296.415 -0.123 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CC[C@@H]1CN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001235395933 825494638 /nfs/dbraw/zinc/49/46/38/825494638.db2.gz YYGUWEUVYLWJPX-DGCLKSJQSA-N 2 2 296.415 -0.123 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CC[C@@H]1CN(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001235395933 825494646 /nfs/dbraw/zinc/49/46/46/825494646.db2.gz YYGUWEUVYLWJPX-DGCLKSJQSA-N 2 2 296.415 -0.123 20 0 CBADLP COCCN1CC[C@]2(CCC[N@H+](CC[NH3+])C2)C1=O ZINC001235543059 825501974 /nfs/dbraw/zinc/50/19/74/825501974.db2.gz CJKDPRIIRGDRFP-ZDUSSCGKSA-N 2 2 255.362 -0.094 20 0 CBADLP COCCN1CC[C@]2(CCC[N@@H+](CC[NH3+])C2)C1=O ZINC001235543059 825501978 /nfs/dbraw/zinc/50/19/78/825501978.db2.gz CJKDPRIIRGDRFP-ZDUSSCGKSA-N 2 2 255.362 -0.094 20 0 CBADLP [NH3+]CC[NH+]1CCC2(C[C@@H](C(=O)N3CCOCC3)CO2)CC1 ZINC001235612974 825507254 /nfs/dbraw/zinc/50/72/54/825507254.db2.gz TXOHRZJZZCMEBJ-CYBMUJFWSA-N 2 2 297.399 -0.325 20 0 CBADLP C[N@H+]1C[C@@H]2C[NH+](C[C@@H]3O[C@H]4OC(C)(C)O[C@H]4[C@@H]3O)C[C@@H]2C1 ZINC001235959013 825518089 /nfs/dbraw/zinc/51/80/89/825518089.db2.gz OYKCHQDOBRRHPA-IIEFLBBWSA-N 2 2 298.383 -0.283 20 0 CBADLP C[N@@H+]1C[C@@H]2C[NH+](C[C@@H]3O[C@H]4OC(C)(C)O[C@H]4[C@@H]3O)C[C@@H]2C1 ZINC001235959013 825518092 /nfs/dbraw/zinc/51/80/92/825518092.db2.gz OYKCHQDOBRRHPA-IIEFLBBWSA-N 2 2 298.383 -0.283 20 0 CBADLP C[NH+]1C[C@@H]2C[N@@H+](C[C@@H]3O[C@H]4OC(C)(C)O[C@H]4[C@@H]3O)C[C@@H]2C1 ZINC001235959013 825518095 /nfs/dbraw/zinc/51/80/95/825518095.db2.gz OYKCHQDOBRRHPA-IIEFLBBWSA-N 2 2 298.383 -0.283 20 0 CBADLP C[NH+]1C[C@@H]2C[N@H+](C[C@@H]3O[C@H]4OC(C)(C)O[C@H]4[C@@H]3O)C[C@@H]2C1 ZINC001235959013 825518100 /nfs/dbraw/zinc/51/81/00/825518100.db2.gz OYKCHQDOBRRHPA-IIEFLBBWSA-N 2 2 298.383 -0.283 20 0 CBADLP Cn1cc(C[N@@H+]2C[C@H]3CC[C@@]3([NH3+])C2)c(=O)n(C)c1=O ZINC001235987069 825519095 /nfs/dbraw/zinc/51/90/95/825519095.db2.gz DCNSELYQJWVGAH-ZWNOBZJWSA-N 2 2 264.329 -0.993 20 0 CBADLP Cn1cc(C[N@H+]2C[C@H]3CC[C@@]3([NH3+])C2)c(=O)n(C)c1=O ZINC001235987069 825519101 /nfs/dbraw/zinc/51/91/01/825519101.db2.gz DCNSELYQJWVGAH-ZWNOBZJWSA-N 2 2 264.329 -0.993 20 0 CBADLP COC(=O)[C@]1([NH3+])CCN(C[C@@H]2C[NH2+]C(C)(C)O2)C1 ZINC001236280190 825525726 /nfs/dbraw/zinc/52/57/26/825525726.db2.gz URPQURUDBXJEKF-CABZTGNLSA-N 2 2 257.334 -0.713 20 0 CBADLP COC(=O)[C@@H]1CN(C[C@@H]2[C@H](C)C[NH2+]CC2(F)F)C[C@@H]1[NH3+] ZINC001236346506 825529705 /nfs/dbraw/zinc/52/97/05/825529705.db2.gz ZNIQXHXFSRVCKW-DBIOUOCHSA-N 2 2 291.342 -0.091 20 0 CBADLP CCn1c[nH+]cc1CN1C[C@H]([NH3+])[C@H](C(=O)OC)C1 ZINC001236350925 825530726 /nfs/dbraw/zinc/53/07/26/825530726.db2.gz KUEDQNCBAZUHCU-MNOVXSKESA-N 2 2 252.318 -0.165 20 0 CBADLP CC(C)(C)[C@@H](C[NH+]1CCOCC1)NS(=O)(=O)CC[NH3+] ZINC001238898848 825569396 /nfs/dbraw/zinc/56/93/96/825569396.db2.gz CKYJYLJZPFVJGA-LLVKDONJSA-N 2 2 293.433 -0.389 20 0 CBADLP O=S(=O)(CC1CC[NH2+]CC1)N1CC[NH2+][C@@H]2C[C@@H]21 ZINC001239061173 825584004 /nfs/dbraw/zinc/58/40/04/825584004.db2.gz XUWPXALFNPRLRP-MNOVXSKESA-N 2 2 259.375 -0.638 20 0 CBADLP CC(C)OC(=O)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001239335067 825598894 /nfs/dbraw/zinc/59/88/94/825598894.db2.gz ZGOIVCQCNGEKBK-UHFFFAOYSA-N 2 2 258.366 -0.384 20 0 CBADLP CC(C)NC(=O)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001239286915 825599516 /nfs/dbraw/zinc/59/95/16/825599516.db2.gz RAWBMBLCXUEVKQ-UHFFFAOYSA-N 2 2 257.382 -0.811 20 0 CBADLP COC(=O)[C@H](CCC[NH3+])[NH2+]CC1(O)CCOCC1 ZINC001246006582 825620667 /nfs/dbraw/zinc/62/06/67/825620667.db2.gz IUCKWLGOCSRPCF-JTQLQIEISA-N 2 2 260.334 -0.602 20 0 CBADLP COC(=O)[C@H](CCCC[NH3+])[NH2+]CC1(O)CC[NH2+]CC1 ZINC001245978940 825616680 /nfs/dbraw/zinc/61/66/80/825616680.db2.gz PZQJUUQTSFXMNM-NSHDSACASA-N 3 2 273.377 -0.639 20 0 CBADLP O[C@@H](CN[C@@H]1CCCC[NH2+]C1)C[NH+]1CCOCC1 ZINC001245995064 825619270 /nfs/dbraw/zinc/61/92/70/825619270.db2.gz RZXYDMFVEKGJEK-OLZOCXBDSA-N 2 2 257.378 -0.589 20 0 CBADLP C[C@@H]1CC[C@H](CNC[C@H](O)C[NH+]2CCOCC2)[NH2+]C1 ZINC001245994183 825619970 /nfs/dbraw/zinc/61/99/70/825619970.db2.gz QMKASMOCDWTQSQ-MCIONIFRSA-N 2 2 271.405 -0.343 20 0 CBADLP [NH3+][C@@H]1CC[N@H+](C[C@H](O)COc2cccc(F)c2)C[C@H]1O ZINC001246017991 825622782 /nfs/dbraw/zinc/62/27/82/825622782.db2.gz CBIYDANJCBGIGB-IACUBPJLSA-N 2 2 284.331 -0.041 20 0 CBADLP [NH3+][C@@H]1CC[N@@H+](C[C@H](O)COc2cccc(F)c2)C[C@H]1O ZINC001246017991 825622785 /nfs/dbraw/zinc/62/27/85/825622785.db2.gz CBIYDANJCBGIGB-IACUBPJLSA-N 2 2 284.331 -0.041 20 0 CBADLP CC[NH+](CC)C[C@@H](O)C[NH2+][C@@H](CCCC[NH3+])C(=O)NC ZINC001246019745 825623223 /nfs/dbraw/zinc/62/32/23/825623223.db2.gz MSMPQTADNMHBEC-STQMWFEESA-N 3 2 288.436 -0.478 20 0 CBADLP O[C@@H](CN1CCCC[C@]12CC[NH2+]C2)C[NH+]1CCOCC1 ZINC001246031151 825627416 /nfs/dbraw/zinc/62/74/16/825627416.db2.gz JGFKXIWSHIPJLB-HUUCEWRRSA-N 2 2 283.416 -0.103 20 0 CBADLP [NH3+][C@]12CC[C@@H]1CN(C[C@H](O)C[NH+]1CCOCC1)C2 ZINC001246046861 825629080 /nfs/dbraw/zinc/62/90/80/825629080.db2.gz POVHDQZOXRZGNY-UPJWGTAASA-N 2 2 255.362 -0.897 20 0 CBADLP [NH3+][C@]12CC[C@H]1CN(C[C@H](O)C[NH+]1CCOCC1)C2 ZINC001246046863 825629505 /nfs/dbraw/zinc/62/95/05/825629505.db2.gz POVHDQZOXRZGNY-XQQFMLRXSA-N 2 2 255.362 -0.897 20 0 CBADLP O[C@@]1(C[NH2+]C2C[C@@H]3COC[C@H](C2)[NH2+]3)CC[NH2+]C[C@@H]1F ZINC001246085980 825633813 /nfs/dbraw/zinc/63/38/13/825633813.db2.gz YRWQCKDYTICLOV-NTWDBFDFSA-N 3 2 273.352 -0.842 20 0 CBADLP CCOC(=O)c1c(C[NH3+])ncn1[C@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001246094445 825634883 /nfs/dbraw/zinc/63/48/83/825634883.db2.gz MLDKMWUEAYZEGM-BDAKNGLRSA-N 2 2 296.327 -0.406 20 0 CBADLP COC(=O)[C@@H]1C[C@H](NC[C@@H]2CC[C@@H](C)C[NH2+]2)C[NH2+]1 ZINC001246115995 825638178 /nfs/dbraw/zinc/63/81/78/825638178.db2.gz UFYMNQHYDZBFLZ-RHYQMDGZSA-N 2 2 255.362 -0.132 20 0 CBADLP COC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2C[NH2+]CC23CC3)CN1 ZINC001246131463 825638421 /nfs/dbraw/zinc/63/84/21/825638421.db2.gz KENYBFSRVJUJLH-DCAQKATOSA-N 2 2 253.346 -0.378 20 0 CBADLP CC(C)(C)OC(=O)[C@@H]1C[C@H]([NH2+][C@H]2CO[C@@H]3C[NH2+]C[C@H]23)CN1 ZINC001246149691 825641346 /nfs/dbraw/zinc/64/13/46/825641346.db2.gz SSGOSTXNVCRGJD-FPYNETTCSA-N 2 2 297.399 -0.365 20 0 CBADLP CC(C)(C)OC(=O)[C@@H]1C[C@H](N[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)C[NH2+]1 ZINC001246149691 825641352 /nfs/dbraw/zinc/64/13/52/825641352.db2.gz SSGOSTXNVCRGJD-FPYNETTCSA-N 2 2 297.399 -0.365 20 0 CBADLP COC(=O)[C@H](CCCC[NH3+])[NH2+][C@@H]1CCNC(=O)C1 ZINC001246153414 825642435 /nfs/dbraw/zinc/64/24/35/825642435.db2.gz RPMYJNZTRYTCOZ-ZJUUUORDSA-N 2 2 257.334 -0.475 20 0 CBADLP CC[NH+]1CCC([NH2+][C@@H]2CN[C@H](C(=O)OC)C2)CC1 ZINC001246174609 825644403 /nfs/dbraw/zinc/64/44/03/825644403.db2.gz YMLKFZXKDZGIGG-RYUDHWBXSA-N 2 2 255.362 -0.036 20 0 CBADLP COC(=O)[C@H]([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)C1CC1 ZINC001246177295 825645481 /nfs/dbraw/zinc/64/54/81/825645481.db2.gz IRWLCOMVMQJILD-GHMZBOCLSA-N 2 2 253.346 -0.378 20 0 CBADLP COC(=O)[C@@H]1C[C@H](n2c(C)ncc(C[NH3+])c2=N)C[NH2+]1 ZINC001246191649 825648037 /nfs/dbraw/zinc/64/80/37/825648037.db2.gz PLOXFQGHWUARGQ-UWVGGRQHSA-N 2 2 265.317 -0.794 20 0 CBADLP OCCOCCOCCOCC[NH2+][C@H]1CCC[NH2+]C1 ZINC001246201303 825649604 /nfs/dbraw/zinc/64/96/04/825649604.db2.gz GEWLJMKUHNJTDL-ZDUSSCGKSA-N 2 2 276.377 -0.630 20 0 CBADLP C[C@H]1CC[C@H]([NH2+]CCNC(=O)N2CCOCC2)C[NH2+]1 ZINC001246209434 825650457 /nfs/dbraw/zinc/65/04/57/825650457.db2.gz HZUDTUXXPZGDCQ-RYUDHWBXSA-N 2 2 270.377 -0.242 20 0 CBADLP CCOC(=O)[C@H](CCC[NH3+])[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246212649 825651879 /nfs/dbraw/zinc/65/18/79/825651879.db2.gz WTWZPSLEXVVKCX-NEPJUHHUSA-N 3 2 284.404 -0.659 20 0 CBADLP COC(=O)[C@@H]1C[C@H](N(CC[NH3+])c2cccnc2)C[NH2+]1 ZINC001246240303 825655994 /nfs/dbraw/zinc/65/59/94/825655994.db2.gz ULKANWCJTDWPKL-RYUDHWBXSA-N 2 2 264.329 -0.250 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](N(CC[NH3+])c2ccccn2)C[NH2+]1 ZINC001246252700 825656557 /nfs/dbraw/zinc/65/65/57/825656557.db2.gz BNSQUPMJWSZLGS-MNOVXSKESA-N 2 2 264.329 -0.250 20 0 CBADLP OC[C@@H]1C[NH2+]C[C@@H]1[NH2+]C1CCN(c2ncccn2)CC1 ZINC001246301228 825662185 /nfs/dbraw/zinc/66/21/85/825662185.db2.gz WYFZNKYYEKEXMA-AAEUAGOBSA-N 2 2 277.372 -0.385 20 0 CBADLP O=C1C[C@H]([NH2+][C@H]2C[NH2+]C[C@@H]2CO)CCN1C1CC1 ZINC001246312677 825663420 /nfs/dbraw/zinc/66/34/20/825663420.db2.gz YNNMSVHJPUIKCX-FOGDFJRCSA-N 2 2 253.346 -0.690 20 0 CBADLP COC(=O)C1([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CCOCC1 ZINC001246308589 825663535 /nfs/dbraw/zinc/66/35/35/825663535.db2.gz HBEOOOFBFRESGH-LLVKDONJSA-N 2 2 283.372 -0.608 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](Nc2ccc(C[NH3+])nc2)C[NH2+]1 ZINC001246322504 825664741 /nfs/dbraw/zinc/66/47/41/825664741.db2.gz BOHFHLMPTNXMSO-MNOVXSKESA-N 2 2 250.302 -0.144 20 0 CBADLP COC(=O)[C@@H]1CC[C@@H](N[C@]2(C[NH3+])C[NH+]3CCC2CC3)CN1 ZINC001246324782 825664776 /nfs/dbraw/zinc/66/47/76/825664776.db2.gz HHEWZKPGYAOIMO-VNHYZAJKSA-N 2 2 296.415 -0.707 20 0 CBADLP O=S1(=O)CCN(CCC[NH2+][C@@H]2CCC[NH2+]C2)CC1 ZINC001246332792 825665815 /nfs/dbraw/zinc/66/58/15/825665815.db2.gz IILJTIIYKBDBFQ-GFCCVEGCSA-N 2 2 275.418 -0.552 20 0 CBADLP O=S1(=O)CCN(CCC[NH2+][C@H]2CCC[NH2+]C2)CC1 ZINC001246332793 825665883 /nfs/dbraw/zinc/66/58/83/825665883.db2.gz IILJTIIYKBDBFQ-LBPRGKRZSA-N 2 2 275.418 -0.552 20 0 CBADLP COC(=O)CC1(N[C@H]2C[NH2+][C@H](C(=O)OC)C2)CC[NH2+]CC1 ZINC001246366040 825668885 /nfs/dbraw/zinc/66/88/85/825668885.db2.gz PMRFOYCWABZSMM-MNOVXSKESA-N 2 2 299.371 -0.835 20 0 CBADLP COC(=O)CC1([NH2+][C@H]2CN[C@H](C(=O)OC)C2)CC[NH2+]CC1 ZINC001246366040 825668889 /nfs/dbraw/zinc/66/88/89/825668889.db2.gz PMRFOYCWABZSMM-MNOVXSKESA-N 2 2 299.371 -0.835 20 0 CBADLP CC[C@]1(C(=O)OC)C[C@@H](N[C@@H]2CC23C[NH2+]C3)C[NH2+]1 ZINC001246443856 825672586 /nfs/dbraw/zinc/67/25/86/825672586.db2.gz FDDFKSCZILAWHM-GIPNMCIBSA-N 2 2 253.346 -0.378 20 0 CBADLP CC[C@]1(C(=O)OC)C[C@@H](N[C@H]2CC23C[NH2+]C3)C[NH2+]1 ZINC001246443855 825672757 /nfs/dbraw/zinc/67/27/57/825672757.db2.gz FDDFKSCZILAWHM-GBIKHYSHSA-N 2 2 253.346 -0.378 20 0 CBADLP CCOC(=O)[C@@H]1C[C@H]([NH2+]CCC[NH2+]CCC[NH3+])CCN1 ZINC001246453763 825673955 /nfs/dbraw/zinc/67/39/55/825673955.db2.gz PJYVFMREPIOMBW-OLZOCXBDSA-N 3 2 286.420 -0.412 20 0 CBADLP CCOC(=O)C1(N[C@H]2C[NH2+][C@H](C(=O)OC)C2)CC[NH2+]CC1 ZINC001246462778 825674796 /nfs/dbraw/zinc/67/47/96/825674796.db2.gz DHHBUAYKJQHKOQ-MNOVXSKESA-N 2 2 299.371 -0.835 20 0 CBADLP COC(=O)[C@@H]1C[C@H]([NH2+][C@@H]2C=C[C@H]3C[NH2+]C[C@@H]32)CN1 ZINC001246473460 825676137 /nfs/dbraw/zinc/67/61/37/825676137.db2.gz IWTZBAQUZFZLDM-NGDQXYMTSA-N 2 2 251.330 -0.747 20 0 CBADLP COC(=O)[C@@H]1C[C@H](N[C@@H]2C=C[C@H]3C[NH2+]C[C@@H]32)C[NH2+]1 ZINC001246473460 825676140 /nfs/dbraw/zinc/67/61/40/825676140.db2.gz IWTZBAQUZFZLDM-NGDQXYMTSA-N 2 2 251.330 -0.747 20 0 CBADLP COC(=O)[C@@H]1C[C@H](N2CC[NH+](CCCC[NH3+])CC2)C[NH2+]1 ZINC001246477703 825676325 /nfs/dbraw/zinc/67/63/25/825676325.db2.gz JJAILZOMGFRMNU-STQMWFEESA-N 3 2 284.404 -0.754 20 0 CBADLP COC(=O)[C@@H]1CC[C@H]([NH2+]CCc2[nH+]ccn2C)CN1 ZINC001246517661 825678611 /nfs/dbraw/zinc/67/86/11/825678611.db2.gz APKYKXOMFHBJSM-QWRGUYRKSA-N 2 2 266.345 -0.154 20 0 CBADLP C[C@@H]1C[C@H]([N@H+](C)CC(=O)N2CCOCC2)CC[NH2+]1 ZINC001246524309 825679811 /nfs/dbraw/zinc/67/98/11/825679811.db2.gz HQRYMBPIXHDMNF-VXGBXAGGSA-N 2 2 255.362 -0.083 20 0 CBADLP C[C@@H]1C[C@H]([N@@H+](C)CC(=O)N2CCOCC2)CC[NH2+]1 ZINC001246524309 825679815 /nfs/dbraw/zinc/67/98/15/825679815.db2.gz HQRYMBPIXHDMNF-VXGBXAGGSA-N 2 2 255.362 -0.083 20 0 CBADLP C[C@@H]1C[C@@H]([N@H+](C)CC(=O)N2CCOCC2)CC[NH2+]1 ZINC001246524306 825679953 /nfs/dbraw/zinc/67/99/53/825679953.db2.gz HQRYMBPIXHDMNF-NEPJUHHUSA-N 2 2 255.362 -0.083 20 0 CBADLP C[C@@H]1C[C@@H]([N@@H+](C)CC(=O)N2CCOCC2)CC[NH2+]1 ZINC001246524306 825679954 /nfs/dbraw/zinc/67/99/54/825679954.db2.gz HQRYMBPIXHDMNF-NEPJUHHUSA-N 2 2 255.362 -0.083 20 0 CBADLP COC(=O)[C@@H]1C[C@H](N2CC[NH+]([C@@H]3CCOC3)CC2)C[NH2+]1 ZINC001246536259 825681678 /nfs/dbraw/zinc/68/16/78/825681678.db2.gz DRMXHDZFEJXRSH-AGIUHOORSA-N 2 2 283.372 -0.704 20 0 CBADLP [NH3+]C[C@@]1(O)CCCC[N@@H+](C2CCS(=O)(=O)CC2)C1 ZINC001246560850 825685895 /nfs/dbraw/zinc/68/58/95/825685895.db2.gz QANSWDGMKLNQIX-LBPRGKRZSA-N 2 2 276.402 -0.261 20 0 CBADLP [NH3+]C[C@@]1(O)CCCC[N@H+](C2CCS(=O)(=O)CC2)C1 ZINC001246560850 825685897 /nfs/dbraw/zinc/68/58/97/825685897.db2.gz QANSWDGMKLNQIX-LBPRGKRZSA-N 2 2 276.402 -0.261 20 0 CBADLP [NH3+][C@@H]1C[N@@H+](C2CCC3(CC2)C[NH2+]CCO3)C[C@H]1O ZINC001246562017 825686596 /nfs/dbraw/zinc/68/65/96/825686596.db2.gz XYXXJNULAXVKMR-QZQSVVMZSA-N 3 2 255.362 -0.709 20 0 CBADLP [NH3+][C@@H]1C[N@H+](C2CCC3(CC2)C[NH2+]CCO3)C[C@H]1O ZINC001246562017 825686597 /nfs/dbraw/zinc/68/65/97/825686597.db2.gz XYXXJNULAXVKMR-QZQSVVMZSA-N 3 2 255.362 -0.709 20 0 CBADLP [NH3+]C[C@]1(O)CCCC[N@@H+](C2CCS(=O)(=O)CC2)C1 ZINC001246560842 825686905 /nfs/dbraw/zinc/68/69/05/825686905.db2.gz QANSWDGMKLNQIX-GFCCVEGCSA-N 2 2 276.402 -0.261 20 0 CBADLP [NH3+]C[C@]1(O)CCCC[N@H+](C2CCS(=O)(=O)CC2)C1 ZINC001246560842 825686909 /nfs/dbraw/zinc/68/69/09/825686909.db2.gz QANSWDGMKLNQIX-GFCCVEGCSA-N 2 2 276.402 -0.261 20 0 CBADLP COC(=O)[C@@H]1C[C@@H]([N@@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)CCN1 ZINC001246571595 825687233 /nfs/dbraw/zinc/68/72/33/825687233.db2.gz VZQLJWYPZGVFOA-RHYQMDGZSA-N 2 2 255.362 -0.051 20 0 CBADLP COC(=O)[C@@H]1C[C@@H]([N@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)CCN1 ZINC001246571595 825687238 /nfs/dbraw/zinc/68/72/38/825687238.db2.gz VZQLJWYPZGVFOA-RHYQMDGZSA-N 2 2 255.362 -0.051 20 0 CBADLP CCOC(=O)C[NH+]1CCC(N2CC[C@@H](O)[C@H]([NH3+])C2)CC1 ZINC001246569501 825688171 /nfs/dbraw/zinc/68/81/71/825688171.db2.gz VIHTXEHLWDZBGW-CHWSQXEVSA-N 2 2 285.388 -0.592 20 0 CBADLP COC(=O)[C@H]1C[C@H](N2CCC(F)(F)[C@H]([NH3+])C2)C[NH2+]1 ZINC001246579714 825690864 /nfs/dbraw/zinc/69/08/64/825690864.db2.gz DCKPQZJAYNWCLF-DJLDLDEBSA-N 2 2 263.288 -0.442 20 0 CBADLP O=S1(=O)CC[C@@H](N2CC[NH2+]C3(CC[NH2+]CC3)C2)C1 ZINC001246600089 825694477 /nfs/dbraw/zinc/69/44/77/825694477.db2.gz FLXTWOUAFRRNPI-LLVKDONJSA-N 2 2 273.402 -0.799 20 0 CBADLP CC[C@]1(C(=O)OC)C[C@H](N2CC[NH2+]C[C@]23CC[NH2+]C3)C[NH2+]1 ZINC001246627303 825698527 /nfs/dbraw/zinc/69/85/27/825698527.db2.gz JBBYPAIEKBVSAM-NWANDNLSSA-N 3 2 296.415 -0.693 20 0 CBADLP CC[C@]1(C(=O)OC)C[C@H](N2CCNC[C@]23CC[NH2+]C3)C[NH2+]1 ZINC001246627303 825698528 /nfs/dbraw/zinc/69/85/28/825698528.db2.gz JBBYPAIEKBVSAM-NWANDNLSSA-N 2 2 296.415 -0.693 20 0 CBADLP CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)CO1 ZINC001246638143 825699527 /nfs/dbraw/zinc/69/95/27/825699527.db2.gz BNPYNSOLDZNLTE-KCQAQPDRSA-N 2 2 297.399 -0.266 20 0 CBADLP CCOC(=O)[C@@H]1CC[C@H]([N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)CO1 ZINC001246638143 825699528 /nfs/dbraw/zinc/69/95/28/825699528.db2.gz BNPYNSOLDZNLTE-KCQAQPDRSA-N 2 2 297.399 -0.266 20 0 CBADLP CC(=O)N1CC[C@@H]([N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)C1 ZINC001246645122 825702643 /nfs/dbraw/zinc/70/26/43/825702643.db2.gz TVSVGOPIKSPOQS-OLZOCXBDSA-N 2 2 252.362 -0.756 20 0 CBADLP CC(=O)N1CC[C@@H]([N@H+]2CCN[C@]3(CC[NH2+]C3)C2)C1 ZINC001246645122 825702647 /nfs/dbraw/zinc/70/26/47/825702647.db2.gz TVSVGOPIKSPOQS-OLZOCXBDSA-N 2 2 252.362 -0.756 20 0 CBADLP COC(=O)[C@@H]1CC[C@@H]([N@@H+]2CCCC3(C[NH2+]C3)C2)CN1 ZINC001246794206 825711961 /nfs/dbraw/zinc/71/19/61/825711961.db2.gz ZFTAIQUJQSYBRF-NEPJUHHUSA-N 2 2 267.373 -0.035 20 0 CBADLP COC(=O)[C@@H]1CC[C@@H]([N@H+]2CCCC3(C[NH2+]C3)C2)CN1 ZINC001246794206 825711963 /nfs/dbraw/zinc/71/19/63/825711963.db2.gz ZFTAIQUJQSYBRF-NEPJUHHUSA-N 2 2 267.373 -0.035 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](N2CC[NH+](C3CCOCC3)CC2)C[NH2+]1 ZINC001246793684 825712398 /nfs/dbraw/zinc/71/23/98/825712398.db2.gz VNGSJFUVZFSRDN-KGLIPLIRSA-N 2 2 297.399 -0.314 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](n2ccc([C@H]3CCC[NH2+]3)nc2=N)C[NH2+]1 ZINC001246810160 825714350 /nfs/dbraw/zinc/71/43/50/825714350.db2.gz YRBPPSXKNDMCRR-FOGDFJRCSA-N 2 2 291.355 -0.137 20 0 CBADLP CCC[NH+]1CCN([C@@H]2C[NH2+][C@H](C(=O)OC)C2)CC1 ZINC001246820245 825716346 /nfs/dbraw/zinc/71/63/46/825716346.db2.gz FXNKFQAHJQISEU-RYUDHWBXSA-N 2 2 255.362 -0.083 20 0 CBADLP O[C@@H]1CC[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CC1(F)F ZINC001246826014 825717998 /nfs/dbraw/zinc/71/79/98/825717998.db2.gz ZQRHJJBGCXVKSH-VHSXEESVSA-N 2 2 261.316 -0.218 20 0 CBADLP O[C@@H]1CC[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CC1(F)F ZINC001246826014 825718002 /nfs/dbraw/zinc/71/80/02/825718002.db2.gz ZQRHJJBGCXVKSH-VHSXEESVSA-N 2 2 261.316 -0.218 20 0 CBADLP COC(=O)[C@@H]1C[C@H](N2CCC[C@H]3C[N@H+](C)C[C@H]32)C[NH2+]1 ZINC001246830473 825718683 /nfs/dbraw/zinc/71/86/83/825718683.db2.gz HRXFOXLMAXMUFW-ZDEQEGDKSA-N 2 2 267.373 -0.084 20 0 CBADLP COC(=O)[C@@H]1C[C@H](N2CCC[C@H]3C[N@@H+](C)C[C@H]32)C[NH2+]1 ZINC001246830473 825718685 /nfs/dbraw/zinc/71/86/85/825718685.db2.gz HRXFOXLMAXMUFW-ZDEQEGDKSA-N 2 2 267.373 -0.084 20 0 CBADLP COC(=O)[C@@H]1C[C@H]([N@H+](C)CCN2CC[NH+](C)CC2)CN1 ZINC001246847755 825721487 /nfs/dbraw/zinc/72/14/87/825721487.db2.gz MFJNKSANOIIXJT-STQMWFEESA-N 2 2 284.404 -0.931 20 0 CBADLP COC(=O)[C@@H]1C[C@H]([N@@H+](C)CCN2CC[NH+](C)CC2)CN1 ZINC001246847755 825721491 /nfs/dbraw/zinc/72/14/91/825721491.db2.gz MFJNKSANOIIXJT-STQMWFEESA-N 2 2 284.404 -0.931 20 0 CBADLP COC(=O)[C@@H]1C[C@H](N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)C[NH2+]1 ZINC001246841788 825721556 /nfs/dbraw/zinc/72/15/56/825721556.db2.gz OLUUHWARHWOVRY-USZNOCQGSA-N 2 2 253.346 -0.617 20 0 CBADLP COC(=O)[C@@H]1C[C@H](N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)C[NH2+]1 ZINC001246841788 825721558 /nfs/dbraw/zinc/72/15/58/825721558.db2.gz OLUUHWARHWOVRY-USZNOCQGSA-N 2 2 253.346 -0.617 20 0 CBADLP COC(=O)[C@@H]1C[C@H]([N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)CN1 ZINC001246841788 825721561 /nfs/dbraw/zinc/72/15/61/825721561.db2.gz OLUUHWARHWOVRY-USZNOCQGSA-N 2 2 253.346 -0.617 20 0 CBADLP COC(=O)[C@@H]1C[C@H]([N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)CN1 ZINC001246841788 825721562 /nfs/dbraw/zinc/72/15/62/825721562.db2.gz OLUUHWARHWOVRY-USZNOCQGSA-N 2 2 253.346 -0.617 20 0 CBADLP COC(=O)[C@@H]1C[C@H]([NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)CN1 ZINC001246841788 825721565 /nfs/dbraw/zinc/72/15/65/825721565.db2.gz OLUUHWARHWOVRY-USZNOCQGSA-N 2 2 253.346 -0.617 20 0 CBADLP COC(=O)[C@@H]1C[C@H]([NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)CN1 ZINC001246841788 825721566 /nfs/dbraw/zinc/72/15/66/825721566.db2.gz OLUUHWARHWOVRY-USZNOCQGSA-N 2 2 253.346 -0.617 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](N(C)CC[NH+]2CCCC2)C[NH2+]1 ZINC001246854415 825723112 /nfs/dbraw/zinc/72/31/12/825723112.db2.gz TWQIDJSXNZXXHU-NEPJUHHUSA-N 2 2 255.362 -0.083 20 0 CBADLP c1cn2c([nH+]1)CC[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246863322 825723804 /nfs/dbraw/zinc/72/38/04/825723804.db2.gz WOEYUCIGGLLBBI-GFCCVEGCSA-N 3 2 261.373 -0.165 20 0 CBADLP c1cn2c([nH+]1)CC[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246863322 825723806 /nfs/dbraw/zinc/72/38/06/825723806.db2.gz WOEYUCIGGLLBBI-GFCCVEGCSA-N 3 2 261.373 -0.165 20 0 CBADLP CCc1nnc2n1CC[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246864685 825724682 /nfs/dbraw/zinc/72/46/82/825724682.db2.gz OSNUDSROINIKRI-NSHDSACASA-N 2 2 276.388 -0.250 20 0 CBADLP CCc1nnc2n1CC[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246864685 825724689 /nfs/dbraw/zinc/72/46/89/825724689.db2.gz OSNUDSROINIKRI-NSHDSACASA-N 2 2 276.388 -0.250 20 0 CBADLP CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2C[C@H]3C[C@@]3([NH3+])C2)CN1 ZINC001246868690 825726250 /nfs/dbraw/zinc/72/62/50/825726250.db2.gz KLKPSOUUTUHWLQ-MPPDQPJWSA-N 2 2 253.346 -0.297 20 0 CBADLP CCOC(=O)[C@@H]1CC[C@H]([N@H+]2C[C@H]3C[C@@]3([NH3+])C2)CN1 ZINC001246868690 825726253 /nfs/dbraw/zinc/72/62/53/825726253.db2.gz KLKPSOUUTUHWLQ-MPPDQPJWSA-N 2 2 253.346 -0.297 20 0 CBADLP COC(=O)[C@@H]1C[C@H](n2[nH]c(=O)c3c2CC[NH2+]C3)C[NH2+]1 ZINC001246885781 825727412 /nfs/dbraw/zinc/72/74/12/825727412.db2.gz HJNMWMMOEUPYAB-CBAPKCEASA-N 2 2 266.301 -0.690 20 0 CBADLP COC(=O)[C@@H]1C[C@H](N(c2ncccn2)C2C[NH2+]C2)C[NH2+]1 ZINC001246875987 825727736 /nfs/dbraw/zinc/72/77/36/825727736.db2.gz KZJHWPIGLPHOJT-ONGXEEELSA-N 2 2 277.328 -0.842 20 0 CBADLP COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246910848 825729741 /nfs/dbraw/zinc/72/97/41/825729741.db2.gz MJTDSYXVWTYTCL-TUAOUCFPSA-N 2 2 283.372 -0.120 20 0 CBADLP COC(=O)CNC(=O)[C@@H]1CCC[N@H+]1[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246910848 825729748 /nfs/dbraw/zinc/72/97/48/825729748.db2.gz MJTDSYXVWTYTCL-TUAOUCFPSA-N 2 2 283.372 -0.120 20 0 CBADLP COC(=O)[C@@H]1C[C@H](N2C[C@H]3CCC[N@H+](C)[C@@H]3C2)C[NH2+]1 ZINC001246914969 825731687 /nfs/dbraw/zinc/73/16/87/825731687.db2.gz JRVSEBBODRDGBX-MROQNXINSA-N 2 2 267.373 -0.084 20 0 CBADLP COC(=O)[C@@H]1C[C@H](N2C[C@H]3CCC[N@@H+](C)[C@@H]3C2)C[NH2+]1 ZINC001246914969 825731689 /nfs/dbraw/zinc/73/16/89/825731689.db2.gz JRVSEBBODRDGBX-MROQNXINSA-N 2 2 267.373 -0.084 20 0 CBADLP COC(=O)[C@H]1C[N@@H+](C2C[C@@H]3C=C[C@H](C2)O3)C[C@@H]1[NH3+] ZINC001246931853 825734258 /nfs/dbraw/zinc/73/42/58/825734258.db2.gz FJTUHQOBJTVOBB-YAXHFPQCSA-N 2 2 252.314 -0.096 20 0 CBADLP COC(=O)[C@H]1C[N@H+](C2C[C@@H]3C=C[C@H](C2)O3)C[C@@H]1[NH3+] ZINC001246931853 825734267 /nfs/dbraw/zinc/73/42/67/825734267.db2.gz FJTUHQOBJTVOBB-YAXHFPQCSA-N 2 2 252.314 -0.096 20 0 CBADLP CC[N@@H+]1C[C@@H]2C[C@H]1CN2[C@@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001246986275 825738715 /nfs/dbraw/zinc/73/87/15/825738715.db2.gz GVRPMQIDYDLNQE-BJDJZHNGSA-N 2 2 253.346 -0.332 20 0 CBADLP CC[N@H+]1C[C@@H]2C[C@H]1CN2[C@@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001246986275 825738719 /nfs/dbraw/zinc/73/87/19/825738719.db2.gz GVRPMQIDYDLNQE-BJDJZHNGSA-N 2 2 253.346 -0.332 20 0 CBADLP C[N@H+]1C[C@H]2[C@H](C1)CCCN2C[C@H](O)C[NH+]1CCOCC1 ZINC001251019331 825762919 /nfs/dbraw/zinc/76/29/19/825762919.db2.gz WXCAUFGJZMBKCC-ZNMIVQPWSA-N 2 2 283.416 -0.295 20 0 CBADLP C[N@@H+]1C[C@H]2[C@H](C1)CCCN2C[C@H](O)C[NH+]1CCOCC1 ZINC001251019331 825762927 /nfs/dbraw/zinc/76/29/27/825762927.db2.gz WXCAUFGJZMBKCC-ZNMIVQPWSA-N 2 2 283.416 -0.295 20 0 CBADLP Cc1c[nH]c(CC[NH2+]C[C@@H](O)CN2CCOCC2)[nH+]1 ZINC001251036031 825768582 /nfs/dbraw/zinc/76/85/82/825768582.db2.gz WFOOZKMXFVJQJW-GFCCVEGCSA-N 2 2 268.361 -0.457 20 0 CBADLP CC[C@@H](O)C[NH+]1CCN(CC[NH+]2CCOCC2)CC1 ZINC001251774103 825788226 /nfs/dbraw/zinc/78/82/26/825788226.db2.gz NKUOKYVSPZAVDS-CQSZACIVSA-N 2 2 271.405 -0.293 20 0 CBADLP CCOC[C@H](O)C[NH2+]CCC(=O)NCCc1c[nH]c[nH+]1 ZINC001252048764 825815987 /nfs/dbraw/zinc/81/59/87/825815987.db2.gz BFRFSLOVEBPJNI-GFCCVEGCSA-N 2 2 284.360 -0.555 20 0 CBADLP CCOC[C@H](O)C[NH2+]CCC(=O)NCCc1c[nH+]c[nH]1 ZINC001252048764 825815990 /nfs/dbraw/zinc/81/59/90/825815990.db2.gz BFRFSLOVEBPJNI-GFCCVEGCSA-N 2 2 284.360 -0.555 20 0 CBADLP CC[NH+](CC)C[C@H](O)C[NH2+]CCCN1CC[NH+](C)CC1 ZINC001253175345 825902442 /nfs/dbraw/zinc/90/24/42/825902442.db2.gz ZKUWJVLHZGTKSG-OAHLLOKOSA-N 3 2 286.464 -0.084 20 0 CBADLP CC[NH+](CC)C[C@H](O)C[NH2+][C@@]12C[C@@H]1CN(C(C)=O)C2 ZINC001253202890 825904124 /nfs/dbraw/zinc/90/41/24/825904124.db2.gz BHJXWPIYLHKGII-MGPQQGTHSA-N 2 2 269.389 -0.101 20 0 CBADLP CC[NH+](CC)C[C@@H](O)C[NH2+]C1CC2(C1)CS(=O)(=O)C2 ZINC001253205748 825905844 /nfs/dbraw/zinc/90/58/44/825905844.db2.gz FVNKTUFJUPFUEH-LBPRGKRZSA-N 2 2 290.429 -0.144 20 0 CBADLP CC[NH+](CC)C[C@@H](O)C[NH2+]CCN1CCC[N@H+](C)CC1 ZINC001253207381 825905893 /nfs/dbraw/zinc/90/58/93/825905893.db2.gz GAKDUKJAUWGMLB-HNNXBMFYSA-N 3 2 286.464 -0.084 20 0 CBADLP CC[NH+](CC)C[C@@H](O)C[NH2+]CCN1CCC[N@@H+](C)CC1 ZINC001253207381 825905895 /nfs/dbraw/zinc/90/58/95/825905895.db2.gz GAKDUKJAUWGMLB-HNNXBMFYSA-N 3 2 286.464 -0.084 20 0 CBADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CC[C@H](O)[C@](C)(CO)C1 ZINC001253389645 825911434 /nfs/dbraw/zinc/91/14/34/825911434.db2.gz HGDRYGIHDONBMQ-DYEKYZERSA-N 2 2 274.405 -0.199 20 0 CBADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CC[C@H](O)[C@](C)(CO)C1 ZINC001253389645 825911443 /nfs/dbraw/zinc/91/14/43/825911443.db2.gz HGDRYGIHDONBMQ-DYEKYZERSA-N 2 2 274.405 -0.199 20 0 CBADLP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+][C@]1(C)CCS(=O)(=O)C1 ZINC001253407230 825913534 /nfs/dbraw/zinc/91/35/34/825913534.db2.gz IMFSIWRLVVXSIO-ZYHUDNBSSA-N 2 2 278.418 -0.098 20 0 CBADLP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+][C@@H]1CCN(S(C)(=O)=O)C1 ZINC001253408253 825913631 /nfs/dbraw/zinc/91/36/31/825913631.db2.gz AIKQMKPTNQWZHN-MNOVXSKESA-N 2 2 293.433 -0.641 20 0 CBADLP C[NH+]1CCN(C(=[NH2+])NC[C@@H](O)COC(C)(C)C)CC1 ZINC001253472669 825916086 /nfs/dbraw/zinc/91/60/86/825916086.db2.gz CJZHEVNHQNUHLO-LLVKDONJSA-N 2 2 272.393 -0.066 20 0 CBADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)N[C@H]1CC[N@@H+](C)C1 ZINC001255419015 825981100 /nfs/dbraw/zinc/98/11/00/825981100.db2.gz GHQCVLRDNKCSBL-CMPLNLGQSA-N 2 2 266.345 -0.202 20 0 CBADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)N[C@H]1CC[N@H+](C)C1 ZINC001255419015 825981090 /nfs/dbraw/zinc/98/10/90/825981090.db2.gz GHQCVLRDNKCSBL-CMPLNLGQSA-N 2 2 266.345 -0.202 20 0 CBADLP C[C@H](NC(=O)[C@H](C)[NH2+]C1CC[NH+](C2CC2)CC1)C(N)=O ZINC001256074264 826001445 /nfs/dbraw/zinc/00/14/45/826001445.db2.gz QBRSTTNHAHUJMI-UWVGGRQHSA-N 2 2 282.388 -0.419 20 0 CBADLP C[NH+]1CCC([NH2+]CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC001256196266 826003092 /nfs/dbraw/zinc/00/30/92/826003092.db2.gz DXFIXCHXHBUGIZ-UHFFFAOYSA-N 3 2 268.405 -0.166 20 0 CBADLP CN(C)C(=O)C[NH+]1CCN(C2CC[NH+](C)CC2)CC1 ZINC001256207332 826003748 /nfs/dbraw/zinc/00/37/48/826003748.db2.gz IJWNJNZSTQZSKS-UHFFFAOYSA-N 2 2 268.405 -0.214 20 0 CBADLP [NH3+]CC[N@H+](CCO)C1CCC([NH+]2CCOCC2)CC1 ZINC001256677303 826029602 /nfs/dbraw/zinc/02/96/02/826029602.db2.gz BPJSFYPJKDTKFH-UHFFFAOYSA-N 3 2 271.405 -0.117 20 0 CBADLP [NH3+]CC[N@@H+](CCO)C1CCC([NH+]2CCOCC2)CC1 ZINC001256677303 826029605 /nfs/dbraw/zinc/02/96/05/826029605.db2.gz BPJSFYPJKDTKFH-UHFFFAOYSA-N 3 2 271.405 -0.117 20 0 CBADLP NCC[N@H+](CCO)C1CCC([NH+]2CCOCC2)CC1 ZINC001256677303 826029615 /nfs/dbraw/zinc/02/96/15/826029615.db2.gz BPJSFYPJKDTKFH-UHFFFAOYSA-N 2 2 271.405 -0.117 20 0 CBADLP NCC[N@@H+](CCO)C1CCC([NH+]2CCOCC2)CC1 ZINC001256677303 826029622 /nfs/dbraw/zinc/02/96/22/826029622.db2.gz BPJSFYPJKDTKFH-UHFFFAOYSA-N 2 2 271.405 -0.117 20 0 CBADLP C[C@H]1C[C@H](NC(=O)C(=O)NCCn2cc[nH+]c2)CC[N@@H+]1C ZINC001256874912 826035722 /nfs/dbraw/zinc/03/57/22/826035722.db2.gz XOABJIQITCUTPR-NWDGAFQWSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@H]1C[C@H](NC(=O)C(=O)NCCn2cc[nH+]c2)CC[N@H+]1C ZINC001256874912 826035732 /nfs/dbraw/zinc/03/57/32/826035732.db2.gz XOABJIQITCUTPR-NWDGAFQWSA-N 2 2 293.371 -0.402 20 0 CBADLP CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001257192295 826039700 /nfs/dbraw/zinc/03/97/00/826039700.db2.gz BZUVPKNZZPAOFC-GFCCVEGCSA-N 2 2 282.388 -0.641 20 0 CBADLP CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001257192295 826039707 /nfs/dbraw/zinc/03/97/07/826039707.db2.gz BZUVPKNZZPAOFC-GFCCVEGCSA-N 2 2 282.388 -0.641 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)CC1 ZINC001261300310 826503992 /nfs/dbraw/zinc/50/39/92/826503992.db2.gz RKPYEVQSTFUMBV-CYBMUJFWSA-N 2 2 296.415 -0.439 20 0 CBADLP O=C(NCC1C[NH2+]C1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC001261630736 826547768 /nfs/dbraw/zinc/54/77/68/826547768.db2.gz VQNZTBULIIAGTL-UHFFFAOYSA-N 2 2 273.296 -0.392 20 0 CBADLP C[C@H](CNC(=O)CC1([NH3+])CC1)[NH+]1CCN(C)CC1 ZINC001261643865 826554386 /nfs/dbraw/zinc/55/43/86/826554386.db2.gz ILPBIXYRLDILHS-LLVKDONJSA-N 2 2 254.378 -0.380 20 0 CBADLP O=C(C1CC[NH2+]CC1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001261644324 826554431 /nfs/dbraw/zinc/55/44/31/826554431.db2.gz XZHKFHJAVIMPBL-CYBMUJFWSA-N 2 2 267.373 -0.081 20 0 CBADLP [NH3+]Cc1ncc(C(=O)NCCCC[NH+]2CCOCC2)cn1 ZINC001262007433 826617929 /nfs/dbraw/zinc/61/79/29/826617929.db2.gz FVKCVMCLTRXCCM-UHFFFAOYSA-N 2 2 293.371 -0.223 20 0 CBADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001262031338 826625989 /nfs/dbraw/zinc/62/59/89/826625989.db2.gz ODOHJBZYFZEVLW-CQSZACIVSA-N 3 2 263.389 -0.058 20 0 CBADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001262031338 826625990 /nfs/dbraw/zinc/62/59/90/826625990.db2.gz ODOHJBZYFZEVLW-CQSZACIVSA-N 3 2 263.389 -0.058 20 0 CBADLP Cc1cc(C)c(CNC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)c[nH+]1 ZINC001262061148 826629463 /nfs/dbraw/zinc/62/94/63/826629463.db2.gz SGWMITDKSHUHEP-STQMWFEESA-N 2 2 288.351 -0.113 20 0 CBADLP Cn1c[nH+]cc1CNC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC001262095926 826636394 /nfs/dbraw/zinc/63/63/94/826636394.db2.gz FYRCYDAFAOWNCE-NSHDSACASA-N 2 2 267.333 -0.402 20 0 CBADLP C[C@H](NC(=O)Cn1cc[nH+]c1)[C@@H]1C[N@H+](C)CCN1C ZINC001262155763 826645136 /nfs/dbraw/zinc/64/51/36/826645136.db2.gz UYQMLQDZDTZPJJ-RYUDHWBXSA-N 2 2 265.361 -0.366 20 0 CBADLP C[C@H](NC(=O)Cn1cc[nH+]c1)[C@@H]1C[N@@H+](C)CCN1C ZINC001262155763 826645140 /nfs/dbraw/zinc/64/51/40/826645140.db2.gz UYQMLQDZDTZPJJ-RYUDHWBXSA-N 2 2 265.361 -0.366 20 0 CBADLP C[C@H](CC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1)[NH+](C)C ZINC001262565535 826709629 /nfs/dbraw/zinc/70/96/29/826709629.db2.gz OGCFPJWNXMIUIS-KGLIPLIRSA-N 3 2 272.437 -0.476 20 0 CBADLP C[N@H+](C[C@H](O)C[NH2+]CCN1C[C@H]2CC[C@@H](C1)O2)C1CC1 ZINC001262568101 826711083 /nfs/dbraw/zinc/71/10/83/826711083.db2.gz LVOWJGRAQSIHPI-KFWWJZLASA-N 2 2 283.416 -0.106 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH2+]CCN1C[C@H]2CC[C@@H](C1)O2)C1CC1 ZINC001262568101 826711085 /nfs/dbraw/zinc/71/10/85/826711085.db2.gz LVOWJGRAQSIHPI-KFWWJZLASA-N 2 2 283.416 -0.106 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)NCCOCC(F)F)CC1 ZINC001262580851 826712839 /nfs/dbraw/zinc/71/28/39/826712839.db2.gz AROHMXLAUAQYAQ-UHFFFAOYSA-N 2 2 294.346 -0.010 20 0 CBADLP C[C@@H](O)CCCNC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001262592152 826714662 /nfs/dbraw/zinc/71/46/62/826714662.db2.gz IHSPVTYJOWNRMK-LLVKDONJSA-N 2 2 272.393 -0.130 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1C[C@H]([NH3+])[C@H]2C[C@H]21 ZINC001263099651 826737322 /nfs/dbraw/zinc/73/73/22/826737322.db2.gz QKZBWSMNXFKISA-OFTGVCEQSA-N 2 2 267.373 -0.193 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]1C[C@H]([NH3+])[C@H]2C[C@H]21 ZINC001263099651 826737326 /nfs/dbraw/zinc/73/73/26/826737326.db2.gz QKZBWSMNXFKISA-OFTGVCEQSA-N 2 2 267.373 -0.193 20 0 CBADLP [NH3+]C[C@H](O)CC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC001263115841 826740309 /nfs/dbraw/zinc/74/03/09/826740309.db2.gz GCXPKJNUOPPTJE-WDEREUQCSA-N 2 2 264.329 -0.514 20 0 CBADLP CC(C)(C(=O)N1CCOC2(C[NH2+]C2)C1)c1c[nH+]c[nH]1 ZINC001263163768 826747213 /nfs/dbraw/zinc/74/72/13/826747213.db2.gz ZQKOKNUGTAKJJS-UHFFFAOYSA-N 2 2 264.329 -0.112 20 0 CBADLP CC(C)(C(=O)N1CCC[C@@]([NH3+])(CO)C1)c1c[nH+]c[nH]1 ZINC001263212503 826753934 /nfs/dbraw/zinc/75/39/34/826753934.db2.gz UXQQULNYEQWJPR-ZDUSSCGKSA-N 2 2 266.345 -0.001 20 0 CBADLP C[C@H](NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)[C@H]1CN(C)CC[N@@H+]1C ZINC001263305681 826762384 /nfs/dbraw/zinc/76/23/84/826762384.db2.gz DJAFQULWRFMZBP-KIJLLGNVSA-N 2 2 266.389 -0.798 20 0 CBADLP C[C@H](NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)[C@H]1CN(C)CC[N@H+]1C ZINC001263305681 826762388 /nfs/dbraw/zinc/76/23/88/826762388.db2.gz DJAFQULWRFMZBP-KIJLLGNVSA-N 2 2 266.389 -0.798 20 0 CBADLP C[C@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001264440451 826812029 /nfs/dbraw/zinc/81/20/29/826812029.db2.gz CBCWFAMRMUFEOL-SRVKXCTJSA-N 2 2 266.345 -0.252 20 0 CBADLP COCCOCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001265932040 826938313 /nfs/dbraw/zinc/93/83/13/826938313.db2.gz DHJNSOMTSMRPPY-LBPRGKRZSA-N 2 2 296.371 -0.194 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCCC[N@H+](C)CCO ZINC001265961727 826943505 /nfs/dbraw/zinc/94/35/05/826943505.db2.gz CEGUFAZLQLDFRP-UHFFFAOYSA-N 2 2 254.334 -0.309 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCCC[N@@H+](C)CCO ZINC001265961727 826943510 /nfs/dbraw/zinc/94/35/10/826943510.db2.gz CEGUFAZLQLDFRP-UHFFFAOYSA-N 2 2 254.334 -0.309 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)N1CC[C@H](C[NH2+]CCO)C1 ZINC001265982378 826944976 /nfs/dbraw/zinc/94/49/76/826944976.db2.gz FLZHDJPMSMWZPM-LLVKDONJSA-N 2 2 266.345 -0.227 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)N1CC[C@H](C[NH2+]CCO)C1 ZINC001265982378 826944981 /nfs/dbraw/zinc/94/49/81/826944981.db2.gz FLZHDJPMSMWZPM-LLVKDONJSA-N 2 2 266.345 -0.227 20 0 CBADLP C[C@@H](O)C[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001266018292 826947733 /nfs/dbraw/zinc/94/77/33/826947733.db2.gz NVQKRFCOCZBQBL-GHMZBOCLSA-N 2 2 266.345 -0.229 20 0 CBADLP CNC(=O)C[NH2+][C@@H](C)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001266180849 826959957 /nfs/dbraw/zinc/95/99/57/826959957.db2.gz OMXNIVRFBBHGFU-VIFPVBQESA-N 2 2 267.333 -0.817 20 0 CBADLP C[NH+](C)CC1(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)CC1 ZINC001266339780 826987133 /nfs/dbraw/zinc/98/71/33/826987133.db2.gz XQBLKTCAICMOAJ-JTQLQIEISA-N 2 2 268.361 -0.996 20 0 CBADLP C[NH+](C)CC1(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)CC1 ZINC001266339780 826987136 /nfs/dbraw/zinc/98/71/36/826987136.db2.gz XQBLKTCAICMOAJ-JTQLQIEISA-N 2 2 268.361 -0.996 20 0 CBADLP C[C@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)[NH2+]CCCO ZINC001266947931 827094511 /nfs/dbraw/zinc/09/45/11/827094511.db2.gz FFUFPSUNOMHPFM-NEPJUHHUSA-N 2 2 280.372 -0.078 20 0 CBADLP CN(CC[NH2+]Cc1ccn(C)n1)C(=O)Cc1c[nH+]cn1C ZINC001266988012 827103859 /nfs/dbraw/zinc/10/38/59/827103859.db2.gz CBZXWTBJEXRHEL-UHFFFAOYSA-N 2 2 290.371 -0.056 20 0 CBADLP CN(CC[NH2+]CCN1CCCC1=O)C(=O)Cn1cc[nH+]c1 ZINC001267143692 827117917 /nfs/dbraw/zinc/11/79/17/827117917.db2.gz OEKUGWYNXWIJSR-UHFFFAOYSA-N 2 2 293.371 -0.447 20 0 CBADLP CCn1nncc1C[NH2+]CCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001267435433 827171701 /nfs/dbraw/zinc/17/17/01/827171701.db2.gz YEQKDVHSHKRSJF-UHFFFAOYSA-N 2 2 291.359 -0.188 20 0 CBADLP CCOCC[NH2+]CCN(C)C(=O)Cn1cc[nH+]c1 ZINC001267479566 827176849 /nfs/dbraw/zinc/17/68/49/827176849.db2.gz WPSORSMKLZMFIM-UHFFFAOYSA-N 2 2 254.334 -0.032 20 0 CBADLP C[NH+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(N)=O ZINC001267532897 827178420 /nfs/dbraw/zinc/17/84/20/827178420.db2.gz MFZKDSKKIGEHKC-PHIMTYICSA-N 2 2 268.361 -0.901 20 0 CBADLP C[NH+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(N)=O ZINC001267532897 827178423 /nfs/dbraw/zinc/17/84/23/827178423.db2.gz MFZKDSKKIGEHKC-PHIMTYICSA-N 2 2 268.361 -0.901 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)C[NH2+]CC(N)=O ZINC001268013145 827240688 /nfs/dbraw/zinc/24/06/88/827240688.db2.gz VMAQSRNMQSWCOP-QMMMGPOBSA-N 2 2 267.333 -0.912 20 0 CBADLP C[C@H](C[NH2+]CCO)N(C)C(=O)CCc1[nH+]ccn1C ZINC001268074570 827253895 /nfs/dbraw/zinc/25/38/95/827253895.db2.gz BEUWSSOZQLFTAS-LLVKDONJSA-N 2 2 268.361 -0.219 20 0 CBADLP C[C@H](F)CC[NH2+]C[C@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001268336266 827307256 /nfs/dbraw/zinc/30/72/56/827307256.db2.gz CXNKVMANJAVDCO-QWRGUYRKSA-N 2 2 272.324 -0.302 20 0 CBADLP CNC(=O)C[NH2+]CC[C@@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001268420950 827324261 /nfs/dbraw/zinc/32/42/61/827324261.db2.gz LNWRKOFANRMDQQ-LLVKDONJSA-N 2 2 295.387 -0.417 20 0 CBADLP CCC[NH+]1CC(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001268463961 827336392 /nfs/dbraw/zinc/33/63/92/827336392.db2.gz XOGDJNNOBGRJBK-UHFFFAOYSA-N 2 2 255.362 -0.081 20 0 CBADLP NC(=O)C[NH2+]C/C=C/CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001268559193 827364683 /nfs/dbraw/zinc/36/46/83/827364683.db2.gz BULGPEVXGHRJCC-GXFZAYBSSA-N 2 2 291.355 -0.807 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC/C=C/C[NH2+]CCO ZINC001268616761 827380621 /nfs/dbraw/zinc/38/06/21/827380621.db2.gz DAPOPKLJBQPTHB-NSCUHMNNSA-N 2 2 252.318 -0.485 20 0 CBADLP CC[C@H]([NH2+]C[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1)C(N)=O ZINC001268667574 827397301 /nfs/dbraw/zinc/39/73/01/827397301.db2.gz OSSAICZLINCYDK-BDAKNGLRSA-N 2 2 267.333 -0.690 20 0 CBADLP C[C@H](C[NH2+]CCS(C)(=O)=O)NC(=O)Cn1cc[nH+]c1 ZINC001268675785 827400215 /nfs/dbraw/zinc/40/02/15/827400215.db2.gz GEFDJFXTCYEXMH-SNVBAGLBSA-N 2 2 288.373 -0.978 20 0 CBADLP C[C@@H](C[NH2+]CCCO)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001268693427 827405341 /nfs/dbraw/zinc/40/53/41/827405341.db2.gz BMKVBFGKGBXBSU-NWDGAFQWSA-N 2 2 280.372 -0.078 20 0 CBADLP CN(CCC[NH2+]CC(N)=O)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001268802413 827424836 /nfs/dbraw/zinc/42/48/36/827424836.db2.gz ASLMOKDEGMSIAF-NSHDSACASA-N 2 2 293.371 -0.631 20 0 CBADLP CC[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@@H](C)C(N)=O ZINC001269486252 827513795 /nfs/dbraw/zinc/51/37/95/827513795.db2.gz JGWUFTSQSQEJPX-DTWKUNHWSA-N 2 2 267.333 -0.690 20 0 CBADLP O=C(Cn1cc[nH+]c1)NCC1([NH2+]CCCO)CC1 ZINC001269544955 827517981 /nfs/dbraw/zinc/51/79/81/827517981.db2.gz YRLVVXONRXXTNK-UHFFFAOYSA-N 2 2 252.318 -0.496 20 0 CBADLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cc[nH+]c1)C2 ZINC001269841850 827533477 /nfs/dbraw/zinc/53/34/77/827533477.db2.gz AAMNYWUQDJJVLN-KGLIPLIRSA-N 2 2 291.399 -0.023 20 0 CBADLP C[NH+](C)CCN1CCC12CN(C(=O)Cn1cc[nH+]c1)C2 ZINC001269842711 827534157 /nfs/dbraw/zinc/53/41/57/827534157.db2.gz YYJNWXNBRKISJK-UHFFFAOYSA-N 2 2 277.372 -0.269 20 0 CBADLP CN(C(=O)CCC[NH+]1CCCC1)C1C[NH+](CCO)C1 ZINC001269892556 827535947 /nfs/dbraw/zinc/53/59/47/827535947.db2.gz IHABISHRCKBFMF-UHFFFAOYSA-N 2 2 269.389 -0.003 20 0 CBADLP C[N@@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)CCn1cc[nH+]c1 ZINC001270195105 827554316 /nfs/dbraw/zinc/55/43/16/827554316.db2.gz IBBXRDMQRXMGFH-TXEJJXNPSA-N 2 2 264.329 -0.185 20 0 CBADLP C[N@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)CCn1cc[nH+]c1 ZINC001270195105 827554320 /nfs/dbraw/zinc/55/43/20/827554320.db2.gz IBBXRDMQRXMGFH-TXEJJXNPSA-N 2 2 264.329 -0.185 20 0 CBADLP COCC[NH2+]C[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001270524915 827575301 /nfs/dbraw/zinc/57/53/01/827575301.db2.gz BFCDYAYQJRIDBB-JTQLQIEISA-N 2 2 254.334 -0.060 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)N1[C@H]2COC[C@@H]1C[NH+](C)C2 ZINC001270670385 827586788 /nfs/dbraw/zinc/58/67/88/827586788.db2.gz PMVNSFURTNPDSU-TUAOUCFPSA-N 2 2 253.346 -0.378 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)N1[C@H]2COC[C@@H]1C[NH+](C)C2 ZINC001270670385 827586790 /nfs/dbraw/zinc/58/67/90/827586790.db2.gz PMVNSFURTNPDSU-TUAOUCFPSA-N 2 2 253.346 -0.378 20 0 CBADLP C[NH+]1CCC[C@H]1C(=O)N1[C@H]2COC[C@@H]1C[N@H+](C)C2 ZINC001270670385 827586793 /nfs/dbraw/zinc/58/67/93/827586793.db2.gz PMVNSFURTNPDSU-TUAOUCFPSA-N 2 2 253.346 -0.378 20 0 CBADLP C[NH+]1CCC[C@H]1C(=O)N1[C@H]2COC[C@@H]1C[N@@H+](C)C2 ZINC001270670385 827586795 /nfs/dbraw/zinc/58/67/95/827586795.db2.gz PMVNSFURTNPDSU-TUAOUCFPSA-N 2 2 253.346 -0.378 20 0 CBADLP C[C@]1(NC(=O)Cn2cc[nH+]c2)CC[N@H+](CCO)C1 ZINC001270665172 827587301 /nfs/dbraw/zinc/58/73/01/827587301.db2.gz OFNKALVFVHATEO-LBPRGKRZSA-N 2 2 252.318 -0.544 20 0 CBADLP C[C@]1(NC(=O)Cn2cc[nH+]c2)CC[N@@H+](CCO)C1 ZINC001270665172 827587303 /nfs/dbraw/zinc/58/73/03/827587303.db2.gz OFNKALVFVHATEO-LBPRGKRZSA-N 2 2 252.318 -0.544 20 0 CBADLP C[C@]1(C[NH2+]CCO)CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001270805968 827598320 /nfs/dbraw/zinc/59/83/20/827598320.db2.gz NCXRSSKRIRDFBG-CYBMUJFWSA-N 2 2 266.345 -0.227 20 0 CBADLP C[C@H](C[NH2+]CCO)N(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001271020884 827615510 /nfs/dbraw/zinc/61/55/10/827615510.db2.gz GBXDVAZVENACOZ-VXGBXAGGSA-N 2 2 280.372 -0.126 20 0 CBADLP CC[N@H+](C)CC(=O)N1CC[NH+](C)C[C@@]2(CCCC(=O)N2)C1 ZINC001271081081 827619259 /nfs/dbraw/zinc/61/92/59/827619259.db2.gz LWOBUOYTCMXPAS-HNNXBMFYSA-N 2 2 296.415 -0.249 20 0 CBADLP CC[N@@H+](C)CC(=O)N1CC[NH+](C)C[C@@]2(CCCC(=O)N2)C1 ZINC001271081081 827619263 /nfs/dbraw/zinc/61/92/63/827619263.db2.gz LWOBUOYTCMXPAS-HNNXBMFYSA-N 2 2 296.415 -0.249 20 0 CBADLP CC[NH+](C)CC(=O)N1CC[N@H+](C)C[C@@]2(CCCC(=O)N2)C1 ZINC001271081081 827619267 /nfs/dbraw/zinc/61/92/67/827619267.db2.gz LWOBUOYTCMXPAS-HNNXBMFYSA-N 2 2 296.415 -0.249 20 0 CBADLP CC[NH+](C)CC(=O)N1CC[N@@H+](C)C[C@@]2(CCCC(=O)N2)C1 ZINC001271081081 827619271 /nfs/dbraw/zinc/61/92/71/827619271.db2.gz LWOBUOYTCMXPAS-HNNXBMFYSA-N 2 2 296.415 -0.249 20 0 CBADLP CC[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](CC(=O)N(C)C)C[C@H]21 ZINC001271080809 827620050 /nfs/dbraw/zinc/62/00/50/827620050.db2.gz AHLYICGQYSTXCY-QWHCGFSZSA-N 2 2 296.415 -0.441 20 0 CBADLP CC[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+](CC(=O)N(C)C)C[C@H]21 ZINC001271080809 827620053 /nfs/dbraw/zinc/62/00/53/827620053.db2.gz AHLYICGQYSTXCY-QWHCGFSZSA-N 2 2 296.415 -0.441 20 0 CBADLP CC[NH+](C)CC(=O)N1CC[C@H]2C[N@H+](CC(=O)N(C)C)C[C@H]21 ZINC001271080809 827620058 /nfs/dbraw/zinc/62/00/58/827620058.db2.gz AHLYICGQYSTXCY-QWHCGFSZSA-N 2 2 296.415 -0.441 20 0 CBADLP CC[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]21 ZINC001271080809 827620062 /nfs/dbraw/zinc/62/00/62/827620062.db2.gz AHLYICGQYSTXCY-QWHCGFSZSA-N 2 2 296.415 -0.441 20 0 CBADLP CC[N@H+](C)CC(=O)N1CC2(C1)C[NH+](CCn1ccnc1)C2 ZINC001271085532 827620815 /nfs/dbraw/zinc/62/08/15/827620815.db2.gz ZPNLXXCJOPQLSO-UHFFFAOYSA-N 2 2 291.399 -0.021 20 0 CBADLP CC[N@@H+](C)CC(=O)N1CC2(C1)C[NH+](CCn1ccnc1)C2 ZINC001271085532 827620826 /nfs/dbraw/zinc/62/08/26/827620826.db2.gz ZPNLXXCJOPQLSO-UHFFFAOYSA-N 2 2 291.399 -0.021 20 0 CBADLP CC[NH2+]CCN(CCO)C(=O)CCc1[nH+]ccn1C ZINC001272214082 827771178 /nfs/dbraw/zinc/77/11/78/827771178.db2.gz UVGSDRHDAWLAOG-UHFFFAOYSA-N 2 2 268.361 -0.217 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CCO ZINC001272322253 827780837 /nfs/dbraw/zinc/78/08/37/827780837.db2.gz JHLHUWDHZJIBHI-WCQYABFASA-N 2 2 280.372 -0.171 20 0 CBADLP CC[C@H](C(=O)N(CC)CC[NH2+]Cc1nnnn1C)[NH+](C)C ZINC001273449265 827901025 /nfs/dbraw/zinc/90/10/25/827901025.db2.gz LTSZSNKQIVJVLS-LLVKDONJSA-N 2 2 297.407 -0.512 20 0 CBADLP CN1CC[C@@]2(CC[N@H+](CC(=O)N3CC[NH+](C)CC3)C2)C1=O ZINC001273835085 827929848 /nfs/dbraw/zinc/92/98/48/827929848.db2.gz COLGXVBPTZKSDW-HNNXBMFYSA-N 2 2 294.399 -0.685 20 0 CBADLP CN1CC[C@@]2(CC[N@@H+](CC(=O)N3CC[NH+](C)CC3)C2)C1=O ZINC001273835085 827929856 /nfs/dbraw/zinc/92/98/56/827929856.db2.gz COLGXVBPTZKSDW-HNNXBMFYSA-N 2 2 294.399 -0.685 20 0 CBADLP C[NH+](C)CCN1CC[C@]2(CC[N@H+](Cc3nnc[nH]3)C2)C1=O ZINC001274355692 827985825 /nfs/dbraw/zinc/98/58/25/827985825.db2.gz JEBRTGDTYKCUAT-AWEZNQCLSA-N 2 2 292.387 -0.209 20 0 CBADLP C[NH+](C)CCN1CC[C@]2(CC[N@@H+](Cc3nnc[nH]3)C2)C1=O ZINC001274355692 827985834 /nfs/dbraw/zinc/98/58/34/827985834.db2.gz JEBRTGDTYKCUAT-AWEZNQCLSA-N 2 2 292.387 -0.209 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)NC/C=C/C[NH2+]CCO ZINC001274544820 827997307 /nfs/dbraw/zinc/99/73/07/827997307.db2.gz PXWOLHDRAUVRSK-NSCUHMNNSA-N 2 2 266.345 -0.393 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)NC/C=C\C[NH2+]CCO ZINC001274544819 827998244 /nfs/dbraw/zinc/99/82/44/827998244.db2.gz PXWOLHDRAUVRSK-IHWYPQMZSA-N 2 2 266.345 -0.393 20 0 CBADLP Cn1nccc1C[N@@H+]1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001276281767 828139907 /nfs/dbraw/zinc/13/99/07/828139907.db2.gz TYPWBTSIFNPQAK-GJZGRUSLSA-N 2 2 293.415 -0.133 20 0 CBADLP Cn1nccc1C[N@H+]1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001276281767 828139913 /nfs/dbraw/zinc/13/99/13/828139913.db2.gz TYPWBTSIFNPQAK-GJZGRUSLSA-N 2 2 293.415 -0.133 20 0 CBADLP C[C@H](NC(=O)CCCC[NH+](C)C)C1C[NH+](CC(N)=O)C1 ZINC001276453891 828146967 /nfs/dbraw/zinc/14/69/67/828146967.db2.gz QZSCKKAWNKSLIO-NSHDSACASA-N 2 2 284.404 -0.360 20 0 CBADLP CCOCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001276825318 828162983 /nfs/dbraw/zinc/16/29/83/828162983.db2.gz YYVMCGWAQMQPIG-STQMWFEESA-N 2 2 285.388 -0.456 20 0 CBADLP CCOCC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001276825318 828162988 /nfs/dbraw/zinc/16/29/88/828162988.db2.gz YYVMCGWAQMQPIG-STQMWFEESA-N 2 2 285.388 -0.456 20 0 CBADLP CCOCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001276825318 828162991 /nfs/dbraw/zinc/16/29/91/828162991.db2.gz YYVMCGWAQMQPIG-STQMWFEESA-N 2 2 285.388 -0.456 20 0 CBADLP CCOCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001276825318 828162995 /nfs/dbraw/zinc/16/29/95/828162995.db2.gz YYVMCGWAQMQPIG-STQMWFEESA-N 2 2 285.388 -0.456 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001276954807 828168283 /nfs/dbraw/zinc/16/82/83/828168283.db2.gz DBQPZYOYTPZSHB-NWDGAFQWSA-N 2 2 284.404 -0.217 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001276954807 828168291 /nfs/dbraw/zinc/16/82/91/828168291.db2.gz DBQPZYOYTPZSHB-NWDGAFQWSA-N 2 2 284.404 -0.217 20 0 CBADLP C[C@H](O)C[N@@H+]1CC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001276986535 828170007 /nfs/dbraw/zinc/17/00/07/828170007.db2.gz XGTYZYKXRRMHFG-QWRGUYRKSA-N 2 2 252.318 -0.546 20 0 CBADLP C[C@H](O)C[N@H+]1CC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001276986535 828170011 /nfs/dbraw/zinc/17/00/11/828170011.db2.gz XGTYZYKXRRMHFG-QWRGUYRKSA-N 2 2 252.318 -0.546 20 0 CBADLP C[C@@H](CN(C)C(=O)CCn1cc[nH+]c1)[NH2+]CCO ZINC001277899134 828217385 /nfs/dbraw/zinc/21/73/85/828217385.db2.gz AOVVUIQXKBJCNL-NSHDSACASA-N 2 2 254.334 -0.298 20 0 CBADLP C[C@H](O)C[N@@H+]1C[C@@H]2OCCN(CCn3cc[nH+]c3)[C@H]2C1 ZINC001277960442 828222979 /nfs/dbraw/zinc/22/29/79/828222979.db2.gz IYBWMJYLMWQNRR-IHRRRGAJSA-N 2 2 280.372 -0.351 20 0 CBADLP C[C@H](O)C[N@H+]1C[C@@H]2OCCN(CCn3cc[nH+]c3)[C@H]2C1 ZINC001277960442 828222990 /nfs/dbraw/zinc/22/29/90/828222990.db2.gz IYBWMJYLMWQNRR-IHRRRGAJSA-N 2 2 280.372 -0.351 20 0 CBADLP CN(C)C(=O)C[NH+]1CC2(CN(CCC[NH+](C)C)C2)C1 ZINC001278049738 828238447 /nfs/dbraw/zinc/23/84/47/828238447.db2.gz PLTXPIRYJPUKJL-UHFFFAOYSA-N 2 2 268.405 -0.356 20 0 CBADLP CC(C)C[NH2+][C@H](CO)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001278179050 828255302 /nfs/dbraw/zinc/25/53/02/828255302.db2.gz NVJQQPHQYACQNF-JTQLQIEISA-N 2 2 254.334 -0.325 20 0 CBADLP CC(C)[NH+]1CC(O)(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001278906961 828306926 /nfs/dbraw/zinc/30/69/26/828306926.db2.gz INSUEZCHWRXTTJ-GFCCVEGCSA-N 2 2 269.389 -0.101 20 0 CBADLP CC(C)[NH+]1CC(O)(CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001278906961 828306936 /nfs/dbraw/zinc/30/69/36/828306936.db2.gz INSUEZCHWRXTTJ-GFCCVEGCSA-N 2 2 269.389 -0.101 20 0 CBADLP CC(C)[NH+]1CC(O)(CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001278906963 828308099 /nfs/dbraw/zinc/30/80/99/828308099.db2.gz INSUEZCHWRXTTJ-LBPRGKRZSA-N 2 2 269.389 -0.101 20 0 CBADLP CC(C)[NH+]1CC(O)(CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001278906963 828308108 /nfs/dbraw/zinc/30/81/08/828308108.db2.gz INSUEZCHWRXTTJ-LBPRGKRZSA-N 2 2 269.389 -0.101 20 0 CBADLP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CC[NH+](C)CC1 ZINC001350733087 891034370 /nfs/dbraw/zinc/03/43/70/891034370.db2.gz QCGANOGZNFPGCD-VXGBXAGGSA-N 2 2 252.362 -0.851 20 0 CBADLP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CC[NH+](C)CC1 ZINC001350733087 891034388 /nfs/dbraw/zinc/03/43/88/891034388.db2.gz QCGANOGZNFPGCD-VXGBXAGGSA-N 2 2 252.362 -0.851 20 0 CBADLP C[NH2+]C[C@H]1CCN(C(=O)[C@H](C)[NH+]2CCN(C)CC2)C1 ZINC001326309522 884979076 /nfs/dbraw/zinc/97/90/76/884979076.db2.gz NDLVLWSJRNMMEX-QWHCGFSZSA-N 2 2 268.405 -0.310 20 0 CBADLP C[NH2+][C@H](C(=O)NCCc1[nH]cc[nH+]1)c1cnn(C)c1 ZINC001327182761 885280218 /nfs/dbraw/zinc/28/02/18/885280218.db2.gz ZVADVOSKAWQQOZ-NSHDSACASA-N 2 2 262.317 -0.237 20 0 CBADLP O=C1C[NH2+]CCN1Cc1nc([C@@H]2CCC[NH2+]2)no1 ZINC001328388948 885666718 /nfs/dbraw/zinc/66/67/18/885666718.db2.gz WIPUWDYHFAJCKQ-QMMMGPOBSA-N 2 2 251.290 -0.574 20 0 CBADLP O=C(C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)N1CC[NH2+]CC1 ZINC001329317509 886014891 /nfs/dbraw/zinc/01/48/91/886014891.db2.gz ZTIRASILTNSJES-QWHCGFSZSA-N 3 2 266.389 -0.508 20 0 CBADLP O=C(C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)N1CC[NH2+]CC1 ZINC001329317509 886014893 /nfs/dbraw/zinc/01/48/93/886014893.db2.gz ZTIRASILTNSJES-QWHCGFSZSA-N 3 2 266.389 -0.508 20 0 CBADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])CC1CC1 ZINC001330879840 886613781 /nfs/dbraw/zinc/61/37/81/886613781.db2.gz MKSQCHZHIQHIHY-WDEREUQCSA-N 2 2 269.345 -0.523 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)CCC[NH2+]CC(N)=O ZINC001330972550 886637893 /nfs/dbraw/zinc/63/78/93/886637893.db2.gz SGEWBAQXQAKNLG-VIFPVBQESA-N 2 2 281.360 -0.380 20 0 CBADLP C[C@@H]([NH3+])[C@@H]1CN(C(=O)NCc2c[nH+]cn2C)CCO1 ZINC001332558253 887354623 /nfs/dbraw/zinc/35/46/23/887354623.db2.gz USHNOWKDMRECDQ-KOLCDFICSA-N 2 2 267.333 -0.322 20 0 CBADLP CC[N@H+](C)C[C@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001332665958 887396150 /nfs/dbraw/zinc/39/61/50/887396150.db2.gz ZMIBVWNZIBXNNL-NSHDSACASA-N 2 2 254.334 -0.277 20 0 CBADLP CC[N@@H+](C)C[C@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001332665958 887396160 /nfs/dbraw/zinc/39/61/60/887396160.db2.gz ZMIBVWNZIBXNNL-NSHDSACASA-N 2 2 254.334 -0.277 20 0 CBADLP Cn1c[nH+]cc1[C@H](CO)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001332687872 887406045 /nfs/dbraw/zinc/40/60/45/887406045.db2.gz FVHZFTONHXGVJU-UWVGGRQHSA-N 2 2 252.318 -0.479 20 0 CBADLP Cn1c[nH+]cc1[C@H](CO)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001332687872 887406053 /nfs/dbraw/zinc/40/60/53/887406053.db2.gz FVHZFTONHXGVJU-UWVGGRQHSA-N 2 2 252.318 -0.479 20 0 CBADLP C[C@@H](C(=O)N1CCOC2(C[NH2+]C2)C1)n1cc[nH+]c1 ZINC001333692471 887747420 /nfs/dbraw/zinc/74/74/20/887747420.db2.gz NLLFRTBERDBCCW-JTQLQIEISA-N 2 2 250.302 -0.355 20 0 CBADLP O[C@H](C[NH2+]CCCn1cc[nH+]c1)C[C@@]1(O)CCOC1 ZINC001334680688 888285997 /nfs/dbraw/zinc/28/59/97/888285997.db2.gz IUCRVIXDSLOJKS-STQMWFEESA-N 2 2 269.345 -0.235 20 0 CBADLP CN(C)C(=O)CCCNC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001335380880 888520651 /nfs/dbraw/zinc/52/06/51/888520651.db2.gz KXBASKKSIZFHIC-UHFFFAOYSA-N 2 2 299.419 -0.423 20 0 CBADLP C[NH2+]C1CC(C(=O)N[C@@H]2CCC[N@H+](CC(N)=O)C2)C1 ZINC001340190878 889404754 /nfs/dbraw/zinc/40/47/54/889404754.db2.gz NWLSXWCJRDXSPW-HSOILSAZSA-N 2 2 268.361 -0.950 20 0 CBADLP C[NH2+]C1CC(C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)C2)C1 ZINC001340190878 889404757 /nfs/dbraw/zinc/40/47/57/889404757.db2.gz NWLSXWCJRDXSPW-HSOILSAZSA-N 2 2 268.361 -0.950 20 0 CBADLP CCOC(=O)C1(C(=O)NCC[NH+]2CCC([NH3+])CC2)CC1 ZINC001340942486 889519156 /nfs/dbraw/zinc/51/91/56/889519156.db2.gz LNULQEJBSFGNQG-UHFFFAOYSA-N 2 2 283.372 -0.131 20 0 CBADLP [NH3+][C@H](CC1CC1)C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001341056988 889535331 /nfs/dbraw/zinc/53/53/31/889535331.db2.gz RNCHYZGBBQFMNZ-GFCCVEGCSA-N 3 2 254.378 -0.347 20 0 CBADLP O=C(NCCCCC[NH+]1CCNCC1)[C@@H]1C[NH2+]CCO1 ZINC001341190680 889557403 /nfs/dbraw/zinc/55/74/03/889557403.db2.gz IVMOMBGRDVTWAC-ZDUSSCGKSA-N 2 2 284.404 -0.834 20 0 CBADLP C[C@@H](O)C[NH+]1CC(NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001443553056 912222880 /nfs/dbraw/zinc/22/28/80/912222880.db2.gz CQIUYLSHGMSAQY-VXGBXAGGSA-N 2 2 285.388 -0.864 20 0 CBADLP C[NH2+]C[C@H](O)[C@H](C)C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC001341660154 889641597 /nfs/dbraw/zinc/64/15/97/889641597.db2.gz UJEWYDYHCYSNKK-SRVKXCTJSA-N 2 2 268.361 -0.148 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)[C@@H]2[C@H]3CCCO[C@H]32)CC1 ZINC001341690598 889648145 /nfs/dbraw/zinc/64/81/45/889648145.db2.gz NTPLBSGCBRYMFF-JHJVBQTASA-N 2 2 267.373 -0.049 20 0 CBADLP CNC(=O)[C@H](C)[NH+]1CC(CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001443610732 912244536 /nfs/dbraw/zinc/24/45/36/912244536.db2.gz DLPXNGNUSLLYLA-RYUDHWBXSA-N 2 2 296.415 -0.489 20 0 CBADLP CNC(=O)[C@H](C)[NH+]1CC(CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001443610732 912244557 /nfs/dbraw/zinc/24/45/57/912244557.db2.gz DLPXNGNUSLLYLA-RYUDHWBXSA-N 2 2 296.415 -0.489 20 0 CBADLP CC[C@H](C(=O)N[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1)[NH+](C)C ZINC001443713650 912263995 /nfs/dbraw/zinc/26/39/95/912263995.db2.gz YSVNFDDPFLJBBH-QJPTWQEYSA-N 2 2 282.388 -0.594 20 0 CBADLP CC[C@H](C(=O)N[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1)[NH+](C)C ZINC001443713650 912264011 /nfs/dbraw/zinc/26/40/11/912264011.db2.gz YSVNFDDPFLJBBH-QJPTWQEYSA-N 2 2 282.388 -0.594 20 0 CBADLP C[C@H](C(=O)N[C@H]1COC2(C[NH2+]C2)C1)n1cc[nH+]c1 ZINC001342216472 889732877 /nfs/dbraw/zinc/73/28/77/889732877.db2.gz XDPFQVVZMYIWPZ-NXEZZACHSA-N 2 2 250.302 -0.309 20 0 CBADLP CC[C@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)[NH2+]CCO ZINC001443961192 912313682 /nfs/dbraw/zinc/31/36/82/912313682.db2.gz UFVDHKYVMXRCMK-VXGBXAGGSA-N 2 2 280.372 -0.078 20 0 CBADLP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001342462148 889782559 /nfs/dbraw/zinc/78/25/59/889782559.db2.gz PUOBNECXCBLEDZ-JQWIXIFHSA-N 3 2 254.378 -0.476 20 0 CBADLP CC[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@@H](C)C(=O)NC ZINC001444010695 912325201 /nfs/dbraw/zinc/32/52/01/912325201.db2.gz QELMDQZGKKLNIM-VHSXEESVSA-N 2 2 281.360 -0.429 20 0 CBADLP CC[C@H](CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[NH2+]CC(N)=O ZINC001444017538 912328353 /nfs/dbraw/zinc/32/83/53/912328353.db2.gz XKXUSGGLYQKZNX-VHSXEESVSA-N 2 2 281.360 -0.442 20 0 CBADLP CC[C@H](CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[NH2+]CC(N)=O ZINC001444017538 912328365 /nfs/dbraw/zinc/32/83/65/912328365.db2.gz XKXUSGGLYQKZNX-VHSXEESVSA-N 2 2 281.360 -0.442 20 0 CBADLP CC[C@@H](CNC(=O)Cc1[nH]c[nH+]c1C)[NH2+][C@@H](C)C(=O)NC ZINC001444017012 912330870 /nfs/dbraw/zinc/33/08/70/912330870.db2.gz MPVTYNWBTUORSY-QWRGUYRKSA-N 2 2 295.387 -0.120 20 0 CBADLP C[C@H](CNC(=O)CCc1[nH+]ccn1C)C[NH2+][C@H](C)C(N)=O ZINC001444343929 912431129 /nfs/dbraw/zinc/43/11/29/912431129.db2.gz CZMVICPASMBNOM-WDEREUQCSA-N 2 2 295.387 -0.432 20 0 CBADLP COCC[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001444476169 912456178 /nfs/dbraw/zinc/45/61/78/912456178.db2.gz MMORCLXPCDUWTN-CYBMUJFWSA-N 2 2 285.388 -0.454 20 0 CBADLP COCC[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001444476169 912456187 /nfs/dbraw/zinc/45/61/87/912456187.db2.gz MMORCLXPCDUWTN-CYBMUJFWSA-N 2 2 285.388 -0.454 20 0 CBADLP C[C@@H]([NH2+]C[C@@H](C)N(C)C(=O)CCc1c[nH+]cn1C)C(N)=O ZINC001444708122 912493978 /nfs/dbraw/zinc/49/39/78/912493978.db2.gz CKGPCQGGAOWDML-GHMZBOCLSA-N 2 2 295.387 -0.337 20 0 CBADLP C[C@H](C[NH2+]CC(=O)N(C)C)N(C)C(=O)Cc1c[nH+]cn1C ZINC001444711817 912494872 /nfs/dbraw/zinc/49/48/72/912494872.db2.gz QQJOFWBTPQYXDV-LLVKDONJSA-N 2 2 295.387 -0.513 20 0 CBADLP C[C@@H]1CC[N@H+](CC(=O)N(C)CC[NH+](C)CC(N)=O)C1 ZINC001445029470 912545725 /nfs/dbraw/zinc/54/57/25/912545725.db2.gz GNONTSPJCUWMMR-LLVKDONJSA-N 2 2 270.377 -0.796 20 0 CBADLP C[C@@H]1CC[N@@H+](CC(=O)N(C)CC[NH+](C)CC(N)=O)C1 ZINC001445029470 912545744 /nfs/dbraw/zinc/54/57/44/912545744.db2.gz GNONTSPJCUWMMR-LLVKDONJSA-N 2 2 270.377 -0.796 20 0 CBADLP C[C@@H]1CC[NH+](CC(=O)N(C)CC[N@H+](C)CC(N)=O)C1 ZINC001445029470 912545761 /nfs/dbraw/zinc/54/57/61/912545761.db2.gz GNONTSPJCUWMMR-LLVKDONJSA-N 2 2 270.377 -0.796 20 0 CBADLP C[C@@H]1CC[NH+](CC(=O)N(C)CC[N@@H+](C)CC(N)=O)C1 ZINC001445029470 912545780 /nfs/dbraw/zinc/54/57/80/912545780.db2.gz GNONTSPJCUWMMR-LLVKDONJSA-N 2 2 270.377 -0.796 20 0 CBADLP CCOCC[C@H](O)C[NH2+][C@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC001346251248 890250544 /nfs/dbraw/zinc/25/05/44/890250544.db2.gz KQWITVGHKRMMGA-RDBSUJKOSA-N 2 2 273.421 -0.002 20 0 CBADLP CCOCC[C@H](O)C[NH2+][C@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC001346251248 890250558 /nfs/dbraw/zinc/25/05/58/890250558.db2.gz KQWITVGHKRMMGA-RDBSUJKOSA-N 2 2 273.421 -0.002 20 0 CBADLP C[NH+](C)CCC(=O)NC[C@H](O)C[NH2+]Cc1csnn1 ZINC001445224713 912604537 /nfs/dbraw/zinc/60/45/37/912604537.db2.gz KQVUGPLSVPTUPX-SNVBAGLBSA-N 2 2 287.389 -0.944 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H](O)C[NH2+]C[C@@H]1CCCCO1 ZINC001445263467 912616632 /nfs/dbraw/zinc/61/66/32/912616632.db2.gz WQKITGNFYMFEAK-OLZOCXBDSA-N 2 2 296.371 -0.412 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@H](O)C[NH2+]C[C@H]1CCCCO1 ZINC001445263470 912618026 /nfs/dbraw/zinc/61/80/26/912618026.db2.gz WQKITGNFYMFEAK-QWHCGFSZSA-N 2 2 296.371 -0.412 20 0 CBADLP CC[C@H](F)C[NH2+]C[C@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001445277091 912621809 /nfs/dbraw/zinc/62/18/09/912621809.db2.gz PRIOUDLRLGYYTK-UWVGGRQHSA-N 2 2 272.324 -0.233 20 0 CBADLP Cc1nocc1C[NH2+]C[C@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001445279664 912625403 /nfs/dbraw/zinc/62/54/03/912625403.db2.gz RXVXDVMKLZVORC-NSHDSACASA-N 2 2 293.327 -0.484 20 0 CBADLP C[C@H](C[NH2+]CC(N)=O)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001445397150 912655727 /nfs/dbraw/zinc/65/57/27/912655727.db2.gz IIAWQIFATPLHMS-NXEZZACHSA-N 2 2 279.344 -0.975 20 0 CBADLP CCN(C)C(=O)C[NH2+]C[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001445481462 912674511 /nfs/dbraw/zinc/67/45/11/912674511.db2.gz PYEFPYPKOKOAGO-SNVBAGLBSA-N 2 2 295.387 -0.167 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001445650860 912723857 /nfs/dbraw/zinc/72/38/57/912723857.db2.gz QAWXFSCMECPJFH-WDEREUQCSA-N 2 2 295.387 -0.419 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]C[C@H](NC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001446022900 912800660 /nfs/dbraw/zinc/80/06/60/912800660.db2.gz WOKHVUVRXROUGD-JQWIXIFHSA-N 2 2 293.371 -0.498 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001446061847 912808502 /nfs/dbraw/zinc/80/85/02/912808502.db2.gz VRAPMZDMMARZTG-QWHCGFSZSA-N 2 2 296.415 -0.075 20 0 CBADLP CC[C@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001446061847 912808517 /nfs/dbraw/zinc/80/85/17/912808517.db2.gz VRAPMZDMMARZTG-QWHCGFSZSA-N 2 2 296.415 -0.075 20 0 CBADLP CC[C@H](C(N)=O)[NH+]1CC[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001446061847 912808531 /nfs/dbraw/zinc/80/85/31/912808531.db2.gz VRAPMZDMMARZTG-QWHCGFSZSA-N 2 2 296.415 -0.075 20 0 CBADLP CC[C@H](C(N)=O)[NH+]1CC[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001446061847 912808546 /nfs/dbraw/zinc/80/85/46/912808546.db2.gz VRAPMZDMMARZTG-QWHCGFSZSA-N 2 2 296.415 -0.075 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CC[N@@H+](CCCF)C[C@H]1O ZINC001090601646 884646670 /nfs/dbraw/zinc/64/66/70/884646670.db2.gz UZMASVABLLGYMQ-VXGBXAGGSA-N 2 2 284.335 -0.137 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CC[N@H+](CCCF)C[C@H]1O ZINC001090601646 884646673 /nfs/dbraw/zinc/64/66/73/884646673.db2.gz UZMASVABLLGYMQ-VXGBXAGGSA-N 2 2 284.335 -0.137 20 0 CBADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H]2C(=O)OC[C@@H]2C1 ZINC001175112730 884688576 /nfs/dbraw/zinc/68/85/76/884688576.db2.gz UXKXYZMIAPCYNS-TUAOUCFPSA-N 2 2 256.346 -0.208 20 0 CBADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H]2C(=O)OC[C@@H]2C1 ZINC001175112730 884688580 /nfs/dbraw/zinc/68/85/80/884688580.db2.gz UXKXYZMIAPCYNS-TUAOUCFPSA-N 2 2 256.346 -0.208 20 0 CBADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H]2C(=O)OC[C@@H]2C1 ZINC001175112730 884688598 /nfs/dbraw/zinc/68/85/98/884688598.db2.gz UXKXYZMIAPCYNS-TUAOUCFPSA-N 2 2 256.346 -0.208 20 0 CBADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H]2C(=O)OC[C@@H]2C1 ZINC001175112730 884688599 /nfs/dbraw/zinc/68/85/99/884688599.db2.gz UXKXYZMIAPCYNS-TUAOUCFPSA-N 2 2 256.346 -0.208 20 0 CBADLP CNC(=O)C[NH2+][C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001210305019 884762006 /nfs/dbraw/zinc/76/20/06/884762006.db2.gz RRDGKVLKOXOSLW-SNVBAGLBSA-N 2 2 279.344 -0.721 20 0 CBADLP CN(CCC[NH2+]CC(N)=O)C(=O)CCc1c[nH]c[nH+]1 ZINC001322539533 884833862 /nfs/dbraw/zinc/83/38/62/884833862.db2.gz GKOYRKWRGXCEMJ-UHFFFAOYSA-N 2 2 267.333 -0.734 20 0 CBADLP CN(CCC[NH2+]CC(N)=O)C(=O)CCc1c[nH+]c[nH]1 ZINC001322539533 884833874 /nfs/dbraw/zinc/83/38/74/884833874.db2.gz GKOYRKWRGXCEMJ-UHFFFAOYSA-N 2 2 267.333 -0.734 20 0 CBADLP O=C([C@@H]1CCn2cc[nH+]c2C1)N(CCO)CC[NH2+]CCF ZINC001326044358 884882864 /nfs/dbraw/zinc/88/28/64/884882864.db2.gz CGMITHYDUJZTSU-GFCCVEGCSA-N 2 2 298.362 -0.175 20 0 CBADLP COC[C@H](O)C[NH+]1CC(N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001446380322 912875172 /nfs/dbraw/zinc/87/51/72/912875172.db2.gz DJYZBUGOTSHMKR-TZMCWYRMSA-N 2 2 299.415 -0.522 20 0 CBADLP COC[C@H](O)C[NH+]1CC(N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001446380322 912875194 /nfs/dbraw/zinc/87/51/94/912875194.db2.gz DJYZBUGOTSHMKR-TZMCWYRMSA-N 2 2 299.415 -0.522 20 0 CBADLP C[C@H](C(=O)N1CC[C@H](C[NH3+])C1)[NH+]1CCN(C)CC1 ZINC001326276767 884970370 /nfs/dbraw/zinc/97/03/70/884970370.db2.gz WEZBVPYRHQKUQG-VXGBXAGGSA-N 2 2 254.378 -0.571 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@H]1[NH2+]CC1(C)C ZINC001326310044 884980044 /nfs/dbraw/zinc/98/00/44/884980044.db2.gz USPVFZRJPCZYFO-VHSXEESVSA-N 2 2 269.345 -0.652 20 0 CBADLP CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001326368565 885008314 /nfs/dbraw/zinc/00/83/14/885008314.db2.gz DIYWCOUGILXWPC-KOLCDFICSA-N 2 2 256.350 -0.964 20 0 CBADLP CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001326368565 885008328 /nfs/dbraw/zinc/00/83/28/885008328.db2.gz DIYWCOUGILXWPC-KOLCDFICSA-N 2 2 256.350 -0.964 20 0 CBADLP C[C@H](NC(=O)C[NH2+]CC1([NH3+])CCC1)C(=O)N(C)C ZINC001326583663 885074226 /nfs/dbraw/zinc/07/42/26/885074226.db2.gz LCYZJPVHCWOZLG-VIFPVBQESA-N 2 2 256.350 -0.950 20 0 CBADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)CC[N@@H+]1C ZINC001326599743 885079932 /nfs/dbraw/zinc/07/99/32/885079932.db2.gz PUCPHEPOUGCBGZ-QLFBSQMISA-N 3 2 284.448 -0.333 20 0 CBADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)CC[N@H+]1C ZINC001326599743 885079944 /nfs/dbraw/zinc/07/99/44/885079944.db2.gz PUCPHEPOUGCBGZ-QLFBSQMISA-N 3 2 284.448 -0.333 20 0 CBADLP NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C[NH2+]CC2CC2)C1 ZINC001326674966 885110942 /nfs/dbraw/zinc/11/09/42/885110942.db2.gz KVKBIOOLEATWSO-LLVKDONJSA-N 2 2 268.361 -0.948 20 0 CBADLP NC(=O)C[N@H+]1CCC[C@@H](NC(=O)C[NH2+]CC2CC2)C1 ZINC001326674966 885110950 /nfs/dbraw/zinc/11/09/50/885110950.db2.gz KVKBIOOLEATWSO-LLVKDONJSA-N 2 2 268.361 -0.948 20 0 CBADLP C[NH+]1CCC([NH+]2CCC(NC(=O)COCC[NH3+])CC2)CC1 ZINC001326783317 885144305 /nfs/dbraw/zinc/14/43/05/885144305.db2.gz GFUOORWTPCPEEY-UHFFFAOYSA-N 3 2 298.431 -0.364 20 0 CBADLP C[C@H](O)C[NH2+]C1(CNC(=O)Cc2c[nH]c[nH+]2)CCOCC1 ZINC001446717902 912924034 /nfs/dbraw/zinc/92/40/34/912924034.db2.gz YZJLTEVCMQPXKZ-NSHDSACASA-N 2 2 296.371 -0.412 20 0 CBADLP COCC[N@@H+]1CC[C@@](O)(CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001446749866 912941313 /nfs/dbraw/zinc/94/13/13/912941313.db2.gz IIQSZBUHLCVYFI-CQSZACIVSA-N 2 2 296.371 -0.458 20 0 CBADLP COCC[N@H+]1CC[C@@](O)(CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001446749866 912941318 /nfs/dbraw/zinc/94/13/18/912941318.db2.gz IIQSZBUHLCVYFI-CQSZACIVSA-N 2 2 296.371 -0.458 20 0 CBADLP COCC[N@@H+]1CC[C@@](O)(CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001446749866 912941330 /nfs/dbraw/zinc/94/13/30/912941330.db2.gz IIQSZBUHLCVYFI-CQSZACIVSA-N 2 2 296.371 -0.458 20 0 CBADLP COCC[N@H+]1CC[C@@](O)(CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001446749866 912941339 /nfs/dbraw/zinc/94/13/39/912941339.db2.gz IIQSZBUHLCVYFI-CQSZACIVSA-N 2 2 296.371 -0.458 20 0 CBADLP CN(CCC[NH3+])C(=O)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC001327931827 885530577 /nfs/dbraw/zinc/53/05/77/885530577.db2.gz DNIWUIOIKYWPRD-LLVKDONJSA-N 2 2 293.371 -0.457 20 0 CBADLP CN(CCC[NH3+])C(=O)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC001327931828 885531576 /nfs/dbraw/zinc/53/15/76/885531576.db2.gz DNIWUIOIKYWPRD-NSHDSACASA-N 2 2 293.371 -0.457 20 0 CBADLP CC1(C)C[NH2+][C@@H]1C(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001328593489 885739493 /nfs/dbraw/zinc/73/94/93/885739493.db2.gz JOUODTKDNSJPFD-GXSJLCMTSA-N 2 2 268.361 -0.950 20 0 CBADLP CC1(C)C[NH2+][C@@H]1C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001328593489 885739509 /nfs/dbraw/zinc/73/95/09/885739509.db2.gz JOUODTKDNSJPFD-GXSJLCMTSA-N 2 2 268.361 -0.950 20 0 CBADLP C[NH+](C)CC[C@@H](N)C(=O)NCCCn1cc[nH+]c1 ZINC001328839336 885826292 /nfs/dbraw/zinc/82/62/92/885826292.db2.gz BJKNUEYSINWZQU-LLVKDONJSA-N 2 2 253.350 -0.332 20 0 CBADLP Cn1ccnc1C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001329140085 885946236 /nfs/dbraw/zinc/94/62/36/885946236.db2.gz DQQZEUIDGQTQJC-LBPRGKRZSA-N 2 2 267.377 -0.882 20 0 CBADLP O=C(CCc1[nH]cc[nH+]1)NCC[N@H+]1CC[C@H](O)C1 ZINC001329251760 885982386 /nfs/dbraw/zinc/98/23/86/885982386.db2.gz ICHWMNXKXLIHQE-JTQLQIEISA-N 2 2 252.318 -0.475 20 0 CBADLP O=C(CCc1[nH]cc[nH+]1)NCC[N@@H+]1CC[C@H](O)C1 ZINC001329251760 885982394 /nfs/dbraw/zinc/98/23/94/885982394.db2.gz ICHWMNXKXLIHQE-JTQLQIEISA-N 2 2 252.318 -0.475 20 0 CBADLP O=C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)N1CC[NH2+]CC1 ZINC001329317508 886014988 /nfs/dbraw/zinc/01/49/88/886014988.db2.gz ZTIRASILTNSJES-OLZOCXBDSA-N 3 2 266.389 -0.508 20 0 CBADLP O=C(C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)N1CC[NH2+]CC1 ZINC001329317508 886014989 /nfs/dbraw/zinc/01/49/89/886014989.db2.gz ZTIRASILTNSJES-OLZOCXBDSA-N 3 2 266.389 -0.508 20 0 CBADLP C[NH+](C)C1(CS(=O)(=O)NCC[NH+]2CC=CC2)CC1 ZINC001329377740 886037113 /nfs/dbraw/zinc/03/71/13/886037113.db2.gz IFRMIURTUAXJTA-UHFFFAOYSA-N 2 2 273.402 -0.128 20 0 CBADLP O=C1NC(=O)C2(CCC([NH2+]CCn3cc[nH+]c3)CC2)N1 ZINC001329421125 886059900 /nfs/dbraw/zinc/05/99/00/886059900.db2.gz YVJOGLUBUSVDFX-UHFFFAOYSA-N 2 2 277.328 -0.007 20 0 CBADLP C[C@H](O)C[N@@H+]1CCC[C@@](CO)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001447039372 913006245 /nfs/dbraw/zinc/00/62/45/913006245.db2.gz VMTAMCNAOYWWGF-GXTWGEPZSA-N 2 2 296.371 -0.793 20 0 CBADLP C[C@H](O)C[N@H+]1CCC[C@@](CO)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001447039372 913006264 /nfs/dbraw/zinc/00/62/64/913006264.db2.gz VMTAMCNAOYWWGF-GXTWGEPZSA-N 2 2 296.371 -0.793 20 0 CBADLP [NH3+]Cc1cc(=O)[nH]c(C[NH2+][C@H]2CCC[NH2+]CC2)n1 ZINC001329568385 886125463 /nfs/dbraw/zinc/12/54/63/886125463.db2.gz FKOUCAVPQKAEHE-VIFPVBQESA-N 3 2 251.334 -0.127 20 0 CBADLP C[C@@H]([NH2+]CC[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1)C(N)=O ZINC001447093635 913020833 /nfs/dbraw/zinc/02/08/33/913020833.db2.gz WAMCPSNHGBEHBX-GHMZBOCLSA-N 2 2 293.371 -0.346 20 0 CBADLP C[C@H](NC(=O)Cc1[nH]cc[nH+]1)C1C[NH+](CCCO)C1 ZINC001330061161 886345471 /nfs/dbraw/zinc/34/54/71/886345471.db2.gz OFLJZCSYXGXWDB-JTQLQIEISA-N 2 2 266.345 -0.229 20 0 CBADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)CC1([NH3+])CC1 ZINC001330584674 886489159 /nfs/dbraw/zinc/48/91/59/886489159.db2.gz MLQZISDAWYKKFL-SECBINFHSA-N 2 2 255.318 -0.769 20 0 CBADLP CC(=O)NC[C@@H]1CCC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC001330585280 886489544 /nfs/dbraw/zinc/48/95/44/886489544.db2.gz VLIQACBNCJXFOV-STQMWFEESA-N 2 2 255.362 -0.177 20 0 CBADLP CC(=O)NC[C@@H]1CCC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC001330585280 886489550 /nfs/dbraw/zinc/48/95/50/886489550.db2.gz VLIQACBNCJXFOV-STQMWFEESA-N 2 2 255.362 -0.177 20 0 CBADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)CC[NH2+]CC1CC1 ZINC001330587700 886490124 /nfs/dbraw/zinc/49/01/24/886490124.db2.gz CIXIZDUEBMCHJD-GFCCVEGCSA-N 2 2 283.372 -0.260 20 0 CBADLP O=C(N[C@H]1C[C@H](C[NH2+]CCO)C1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001330622451 886508618 /nfs/dbraw/zinc/50/86/18/886508618.db2.gz PSRDHLWAORNXOB-JHJVBQTASA-N 2 2 292.383 -0.078 20 0 CBADLP c1cn(CCn2cc(CN3CC[NH2+]CC3)nn2)c[nH+]1 ZINC001330796062 886572975 /nfs/dbraw/zinc/57/29/75/886572975.db2.gz VBFSCBINQRNBLP-UHFFFAOYSA-N 2 2 261.333 -0.420 20 0 CBADLP O=C(NC[C@@H]1C[NH2+]CCO1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001331052824 886660011 /nfs/dbraw/zinc/66/00/11/886660011.db2.gz KDZJKJHEWUVUKE-IVZWLZJFSA-N 2 2 250.302 -0.382 20 0 CBADLP CN(CCC[N@H+](C)CC(N)=O)C(=O)CCc1c[nH+]cn1C ZINC001447381421 913066882 /nfs/dbraw/zinc/06/68/82/913066882.db2.gz WLPNTGDCOYPLDP-UHFFFAOYSA-N 2 2 295.387 -0.382 20 0 CBADLP CN(CCC[N@@H+](C)CC(N)=O)C(=O)CCc1c[nH+]cn1C ZINC001447381421 913066901 /nfs/dbraw/zinc/06/69/01/913066901.db2.gz WLPNTGDCOYPLDP-UHFFFAOYSA-N 2 2 295.387 -0.382 20 0 CBADLP CCC[N@H+](C)CC(=O)N[C@H]1COC2(C[NH+](CCOC)C2)C1 ZINC001447412079 913078609 /nfs/dbraw/zinc/07/86/09/913078609.db2.gz JNWZCNWXXMWJRS-CYBMUJFWSA-N 2 2 299.415 -0.066 20 0 CBADLP CCC[N@@H+](C)CC(=O)N[C@H]1COC2(C[NH+](CCOC)C2)C1 ZINC001447412079 913078623 /nfs/dbraw/zinc/07/86/23/913078623.db2.gz JNWZCNWXXMWJRS-CYBMUJFWSA-N 2 2 299.415 -0.066 20 0 CBADLP CN(C(=O)Cc1c[nH+]cn1C)[C@H](C[NH2+]CCO)C1CC1 ZINC001331348478 886781336 /nfs/dbraw/zinc/78/13/36/886781336.db2.gz SERAHGPFGIGIEY-CYBMUJFWSA-N 2 2 280.372 -0.219 20 0 CBADLP O=C(NCCn1cc[nH+]c1)C1C[NH+]([C@H]2CCOC2)C1 ZINC001331566367 886848194 /nfs/dbraw/zinc/84/81/94/886848194.db2.gz UKPRNKZBFCIURH-LBPRGKRZSA-N 2 2 264.329 -0.280 20 0 CBADLP C[NH2+]CCOCC[N@H+](C)Cc1cc(=O)n2[nH]ccc2n1 ZINC001331756272 886959219 /nfs/dbraw/zinc/95/92/19/886959219.db2.gz QWPLBZJCWIDVTB-UHFFFAOYSA-N 2 2 279.344 -0.310 20 0 CBADLP C[NH2+]CCOCC[N@@H+](C)Cc1cc(=O)n2[nH]ccc2n1 ZINC001331756272 886959230 /nfs/dbraw/zinc/95/92/30/886959230.db2.gz QWPLBZJCWIDVTB-UHFFFAOYSA-N 2 2 279.344 -0.310 20 0 CBADLP C[NH2+]CCOCC[N@H+](C)Cc1nc2c(cnn2C)c(=O)[nH]1 ZINC001331849356 887012949 /nfs/dbraw/zinc/01/29/49/887012949.db2.gz IHRIUBZLXFQFRI-UHFFFAOYSA-N 2 2 294.359 -0.263 20 0 CBADLP C[NH2+]CCOCC[N@@H+](C)Cc1nc2c(cnn2C)c(=O)[nH]1 ZINC001331849356 887012956 /nfs/dbraw/zinc/01/29/56/887012956.db2.gz IHRIUBZLXFQFRI-UHFFFAOYSA-N 2 2 294.359 -0.263 20 0 CBADLP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCCc1cn(C)c[nH+]1 ZINC001332390051 887250705 /nfs/dbraw/zinc/25/07/05/887250705.db2.gz DDFFFWPEWZWCOT-VHSXEESVSA-N 2 2 281.360 -0.679 20 0 CBADLP C[NH+](C)C[C@@](C)(O)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001332454957 887292608 /nfs/dbraw/zinc/29/26/08/887292608.db2.gz NNFNGEGSTJVWCU-BREBYQMCSA-N 2 2 266.345 -0.058 20 0 CBADLP C[NH+](C)C[C@@](C)(O)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001332454957 887292588 /nfs/dbraw/zinc/29/25/88/887292588.db2.gz NNFNGEGSTJVWCU-BREBYQMCSA-N 2 2 266.345 -0.058 20 0 CBADLP C[C@H](C(=O)N1CC[C@H]([NH3+])C[C@@H]1C)[NH+]1CCN(C)CC1 ZINC001332829712 887439983 /nfs/dbraw/zinc/43/99/83/887439983.db2.gz FQDHNGBEEIXXET-XQQFMLRXSA-N 2 2 268.405 -0.040 20 0 CBADLP O=C(CCc1[nH]cc[nH+]1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001332922884 887479245 /nfs/dbraw/zinc/47/92/45/887479245.db2.gz AUBKIJGUGQCHQO-WDEREUQCSA-N 2 2 264.329 -0.380 20 0 CBADLP O=C(CCc1[nH]cc[nH+]1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001332922884 887479252 /nfs/dbraw/zinc/47/92/52/887479252.db2.gz AUBKIJGUGQCHQO-WDEREUQCSA-N 2 2 264.329 -0.380 20 0 CBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)c1nnnn1C ZINC001332938776 887481579 /nfs/dbraw/zinc/48/15/79/887481579.db2.gz HPCGXMGRUYWUBI-UHFFFAOYSA-N 2 2 267.381 -0.328 20 0 CBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)c1nnnn1C ZINC001332938776 887481586 /nfs/dbraw/zinc/48/15/86/887481586.db2.gz HPCGXMGRUYWUBI-UHFFFAOYSA-N 2 2 267.381 -0.328 20 0 CBADLP CC(C)c1[nH+]ccn1CC(=O)NC[C@H](C)[N@H+](C)CC(N)=O ZINC001448094232 913217826 /nfs/dbraw/zinc/21/78/26/913217826.db2.gz RHFCWYUSSPLCEZ-NSHDSACASA-N 2 2 295.387 -0.072 20 0 CBADLP CC(C)c1[nH+]ccn1CC(=O)NC[C@H](C)[N@@H+](C)CC(N)=O ZINC001448094232 913217846 /nfs/dbraw/zinc/21/78/46/913217846.db2.gz RHFCWYUSSPLCEZ-NSHDSACASA-N 2 2 295.387 -0.072 20 0 CBADLP C[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC001334448463 888238207 /nfs/dbraw/zinc/23/82/07/888238207.db2.gz GRYLKZCOCHIDEL-LBPRGKRZSA-N 2 2 296.415 -0.251 20 0 CBADLP C[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC001334448463 888238219 /nfs/dbraw/zinc/23/82/19/888238219.db2.gz GRYLKZCOCHIDEL-LBPRGKRZSA-N 2 2 296.415 -0.251 20 0 CBADLP C[C@H](C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1)N1CC[NH+](C)CC1 ZINC001335400500 888522725 /nfs/dbraw/zinc/52/27/25/888522725.db2.gz QGUCMOTVPLTSDJ-UKRRQHHQSA-N 3 2 284.448 -0.333 20 0 CBADLP C[C@H](C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)N1CC[NH+](C)CC1 ZINC001335400500 888522735 /nfs/dbraw/zinc/52/27/35/888522735.db2.gz QGUCMOTVPLTSDJ-UKRRQHHQSA-N 3 2 284.448 -0.333 20 0 CBADLP C[C@H](CO)N(C)C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001335621655 888586219 /nfs/dbraw/zinc/58/62/19/888586219.db2.gz CXFZYERPBHNEIX-SNVBAGLBSA-N 2 2 258.366 -0.568 20 0 CBADLP Cn1cnc(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)c1 ZINC001336151471 888705446 /nfs/dbraw/zinc/70/54/46/888705446.db2.gz LHOJTILPGGFGQD-ZDUSSCGKSA-N 2 2 267.377 -0.882 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CC([C@H](C)NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001448302601 913275004 /nfs/dbraw/zinc/27/50/04/913275004.db2.gz IQFNVPUKUFAJKC-WDEREUQCSA-N 2 2 296.415 -0.219 20 0 CBADLP [NH3+]Cc1nccnc1N1CCN(c2[nH]cc[nH+]2)CC1 ZINC001336595316 888810175 /nfs/dbraw/zinc/81/01/75/888810175.db2.gz HUPLDOLXRZAFJW-UHFFFAOYSA-N 2 2 259.317 -0.015 20 0 CBADLP CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001448362294 913284802 /nfs/dbraw/zinc/28/48/02/913284802.db2.gz QDWACBKWGNJOGR-LLVKDONJSA-N 2 2 282.388 -0.735 20 0 CBADLP CSC[C@H](O)C[NH2+][C@H](C)[C@H]1C[N@H+](C)CCN1C ZINC001336781716 888878769 /nfs/dbraw/zinc/87/87/69/888878769.db2.gz VFKXAMAHZGMNIJ-IJLUTSLNSA-N 2 2 261.435 -0.066 20 0 CBADLP CSC[C@H](O)C[NH2+][C@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC001336781716 888878782 /nfs/dbraw/zinc/87/87/82/888878782.db2.gz VFKXAMAHZGMNIJ-IJLUTSLNSA-N 2 2 261.435 -0.066 20 0 CBADLP COC[C@H](C)OC[C@H](O)C[NH2+][C@H]1Cc2c[nH+]cn2C1 ZINC001336827725 888893189 /nfs/dbraw/zinc/89/31/89/888893189.db2.gz AZJBPVGWTDDSLM-GMXVVIOVSA-N 2 2 269.345 -0.190 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)NCC[N@H+]2CC=CCC2)CC1 ZINC001336939851 888928873 /nfs/dbraw/zinc/92/88/73/888928873.db2.gz APIXQKVDMYVLAC-UHFFFAOYSA-N 3 2 295.431 -0.029 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)NCC[N@@H+]2CC=CCC2)CC1 ZINC001336939851 888928890 /nfs/dbraw/zinc/92/88/90/888928890.db2.gz APIXQKVDMYVLAC-UHFFFAOYSA-N 3 2 295.431 -0.029 20 0 CBADLP C[C@H](C[NH3+])N(C)C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001336962778 888934002 /nfs/dbraw/zinc/93/40/02/888934002.db2.gz CRYKOYXPCIGMIO-SNVBAGLBSA-N 3 2 257.382 -0.602 20 0 CBADLP COCCN(C)C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001336964453 888936597 /nfs/dbraw/zinc/93/65/97/888936597.db2.gz ZWSXXUMUMLHYJH-UHFFFAOYSA-N 2 2 258.366 -0.303 20 0 CBADLP C[C@@H]1C[N@H+](CCO)CCN1c1nccnc1C[NH3+] ZINC001338008096 889104818 /nfs/dbraw/zinc/10/48/18/889104818.db2.gz LLTPWWMSLCIRBU-SNVBAGLBSA-N 2 2 251.334 -0.562 20 0 CBADLP C[C@@H]1C[N@@H+](CCO)CCN1c1nccnc1C[NH3+] ZINC001338008096 889104830 /nfs/dbraw/zinc/10/48/30/889104830.db2.gz LLTPWWMSLCIRBU-SNVBAGLBSA-N 2 2 251.334 -0.562 20 0 CBADLP C[C@H](O)C[NH2+]C[C@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001448531587 913317883 /nfs/dbraw/zinc/31/78/83/913317883.db2.gz SOTTUSYMJQPSHM-SRVKXCTJSA-N 2 2 280.372 -0.172 20 0 CBADLP [NH3+][C@@H]1CCN(C(=O)NCC[NH+]2CCC([NH3+])CC2)C1 ZINC001338687387 889192408 /nfs/dbraw/zinc/19/24/08/889192408.db2.gz MNCRHKWGFZETET-LLVKDONJSA-N 3 2 255.366 -0.848 20 0 CBADLP CC(C)C[C@H]([NH3+])C[NH2+]CC[C@@H]1CNCCS1(=O)=O ZINC001339226866 889252749 /nfs/dbraw/zinc/25/27/49/889252749.db2.gz WFZJPMVENURVJM-NWDGAFQWSA-N 2 2 277.434 -0.274 20 0 CBADLP CCOCC[NH+]1CCN(C(=O)[C@@H]2C[NH2+]CCN2C)CC1 ZINC001340034299 889368972 /nfs/dbraw/zinc/36/89/72/889368972.db2.gz RWMUZSZSPAUVKN-ZDUSSCGKSA-N 2 2 284.404 -0.929 20 0 CBADLP C[C@H](CNC(=O)[C@@]1(C)C[C@@H](O)C[NH2+]1)Cn1cc[nH+]c1 ZINC001340185146 889403679 /nfs/dbraw/zinc/40/36/79/889403679.db2.gz RRMQQXPUDZCIMS-NQBHXWOUSA-N 2 2 266.345 -0.252 20 0 CBADLP Cc1ccc(NCCNC(=O)[C@H]2C[NH2+]CCO2)[nH+]c1 ZINC001341324755 889573639 /nfs/dbraw/zinc/57/36/39/889573639.db2.gz AYTMXBGNPMDSDV-LLVKDONJSA-N 2 2 264.329 -0.093 20 0 CBADLP C[C@@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)[NH2+]Cc1cnnn1C ZINC001448740023 913362773 /nfs/dbraw/zinc/36/27/73/913362773.db2.gz WZTWGCKLAJEOGE-JTQLQIEISA-N 2 2 291.359 -0.283 20 0 CBADLP [NH3+]CC(F)(F)CNC(=O)C[NH+]1CCC(CO)CC1 ZINC001341649462 889640268 /nfs/dbraw/zinc/64/02/68/889640268.db2.gz MADJOCFVHYRSRP-UHFFFAOYSA-N 2 2 265.304 -0.599 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H]1C[C@@H]1C[NH3+] ZINC001342195267 889730066 /nfs/dbraw/zinc/73/00/66/889730066.db2.gz BCEJGYIRIFFICL-IJLUTSLNSA-N 2 2 255.362 -0.240 20 0 CBADLP C[C@@H](C(=O)N[C@@H]1COC2(C[NH2+]C2)C1)n1cc[nH+]c1 ZINC001342216473 889731935 /nfs/dbraw/zinc/73/19/35/889731935.db2.gz XDPFQVVZMYIWPZ-UWVGGRQHSA-N 2 2 250.302 -0.309 20 0 CBADLP [NH3+]Cc1ncc(C(=O)N2CC[NH2+]C[C@H]2CO)s1 ZINC001342360292 889761252 /nfs/dbraw/zinc/76/12/52/889761252.db2.gz WXTAJTDGOIULOC-ZETCQYMHSA-N 2 2 256.331 -0.992 20 0 CBADLP C[C@@H]1C[C@H](C(=O)NCC[NH+]2CCC([NH3+])CC2)CC[NH2+]1 ZINC001342549815 889791749 /nfs/dbraw/zinc/79/17/49/889791749.db2.gz XFYVXCHLIYXNLL-VXGBXAGGSA-N 3 2 268.405 -0.086 20 0 CBADLP C[C@@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+]CCn1cncn1 ZINC001448786771 913386369 /nfs/dbraw/zinc/38/63/69/913386369.db2.gz BLXIAVRVGUFJDX-LBPRGKRZSA-N 2 2 291.359 -0.389 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N1CCC2(CC1)C[NH2+]CCO2 ZINC001342703739 889818630 /nfs/dbraw/zinc/81/86/30/889818630.db2.gz IEYWVOHNFBCJJW-UHFFFAOYSA-N 2 2 264.329 -0.067 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C[NH2+]C1CC1 ZINC001342951801 889848741 /nfs/dbraw/zinc/84/87/41/889848741.db2.gz PREKULQOKLMSMB-LLVKDONJSA-N 2 2 255.362 -0.083 20 0 CBADLP C[N@H+](C[C@@H](O)C[NH+]1CCC2(CC1)NC(=O)NC2=O)C1CC1 ZINC001343484516 889918118 /nfs/dbraw/zinc/91/81/18/889918118.db2.gz UXQWKNUBAQRVED-LLVKDONJSA-N 2 2 296.371 -0.885 20 0 CBADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC2(CC1)NC(=O)NC2=O)C1CC1 ZINC001343484516 889918130 /nfs/dbraw/zinc/91/81/30/889918130.db2.gz UXQWKNUBAQRVED-LLVKDONJSA-N 2 2 296.371 -0.885 20 0 CBADLP CC(C)[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001448863443 913432301 /nfs/dbraw/zinc/43/23/01/913432301.db2.gz VBZWGLPCRPVWGW-VXGBXAGGSA-N 2 2 280.372 -0.079 20 0 CBADLP CC[NH+]1CCN(CC[NH2+]CCS(=O)(=O)CC)CC1 ZINC001346179173 890231967 /nfs/dbraw/zinc/23/19/67/890231967.db2.gz HPRSUDKUDVPBBZ-UHFFFAOYSA-N 2 2 277.434 -0.352 20 0 CBADLP C[N@@H+]1CCN(C(=O)[C@H](F)[C@H]2CC[NH2+]C2)[C@@H](CO)C1 ZINC001346229069 890245752 /nfs/dbraw/zinc/24/57/52/890245752.db2.gz PKWMMYSERBQGJI-HBNTYKKESA-N 2 2 259.325 -0.931 20 0 CBADLP C[N@H+]1CCN(C(=O)[C@H](F)[C@H]2CC[NH2+]C2)[C@@H](CO)C1 ZINC001346229069 890245766 /nfs/dbraw/zinc/24/57/66/890245766.db2.gz PKWMMYSERBQGJI-HBNTYKKESA-N 2 2 259.325 -0.931 20 0 CBADLP O[C@@H](C[NH2+][C@@H]1Cc2c[nH+]cn2C1)C1(O)CCOCC1 ZINC001346340110 890270096 /nfs/dbraw/zinc/27/00/96/890270096.db2.gz OPOGEEOGNORROJ-PWSUYJOCSA-N 2 2 267.329 -0.700 20 0 CBADLP CC(C)[NH+]1CC(NC(=O)C[NH+]2CCC(CO)CC2)C1 ZINC001346992222 890380686 /nfs/dbraw/zinc/38/06/86/890380686.db2.gz INCXAVWWKNDFGJ-UHFFFAOYSA-N 2 2 269.389 -0.101 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@H](CO)[NH2+]CC1CCOCC1 ZINC001448911137 913456570 /nfs/dbraw/zinc/45/65/70/913456570.db2.gz YZKNXDMMLKRXDL-ZDUSSCGKSA-N 2 2 296.371 -0.555 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H](CO)[NH2+]CC1CCOCC1 ZINC001448911136 913457259 /nfs/dbraw/zinc/45/72/59/913457259.db2.gz YZKNXDMMLKRXDL-CYBMUJFWSA-N 2 2 296.371 -0.555 20 0 CBADLP CNC(=O)C[NH2+]C[C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001449068987 913492742 /nfs/dbraw/zinc/49/27/42/913492742.db2.gz WRTHOLIKFYVXJY-RYUDHWBXSA-N 2 2 293.371 -0.496 20 0 CBADLP Cn1c[nH+]cc1CNC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC001350232733 890951461 /nfs/dbraw/zinc/95/14/61/890951461.db2.gz XEBZTFPULLLFBS-LLVKDONJSA-N 2 2 267.333 -0.321 20 0 CBADLP CO[C@H](C)C[NH2+]C[C@@H](O)CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001449168533 913528106 /nfs/dbraw/zinc/52/81/06/913528106.db2.gz FPYBHZIBBGAEAS-ZYHUDNBSSA-N 2 2 298.387 -0.296 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC001352839702 891303706 /nfs/dbraw/zinc/30/37/06/891303706.db2.gz QCAXVOWRUFTWQV-JTQLQIEISA-N 2 2 252.318 -0.245 20 0 CBADLP CN(C[C@@H](O)C[N@H+](C)CCCO)C(=O)Cc1c[nH+]c[nH]1 ZINC001449221406 913550351 /nfs/dbraw/zinc/55/03/51/913550351.db2.gz BEVLTBPCPMFCPW-LBPRGKRZSA-N 2 2 284.360 -0.914 20 0 CBADLP CN(C[C@@H](O)C[N@@H+](C)CCCO)C(=O)Cc1c[nH+]c[nH]1 ZINC001449221406 913550358 /nfs/dbraw/zinc/55/03/58/913550358.db2.gz BEVLTBPCPMFCPW-LBPRGKRZSA-N 2 2 284.360 -0.914 20 0 CBADLP C[C@H](CC(=O)N(C)C[C@@H](O)C[N@H+](C)CCO)n1cc[nH+]c1 ZINC001449234891 913553534 /nfs/dbraw/zinc/55/35/34/913553534.db2.gz QDZFOMPBEMDZLL-OLZOCXBDSA-N 2 2 298.387 -0.422 20 0 CBADLP C[C@H](CC(=O)N(C)C[C@@H](O)C[N@@H+](C)CCO)n1cc[nH+]c1 ZINC001449234891 913553543 /nfs/dbraw/zinc/55/35/43/913553543.db2.gz QDZFOMPBEMDZLL-OLZOCXBDSA-N 2 2 298.387 -0.422 20 0 CBADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H](C)[NH3+] ZINC001353432367 891424512 /nfs/dbraw/zinc/42/45/12/891424512.db2.gz ZVHLRKATYALKSQ-GHMZBOCLSA-N 2 2 258.366 -0.256 20 0 CBADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CCNC(N)=O ZINC001353365825 891412911 /nfs/dbraw/zinc/41/29/11/891412911.db2.gz HIXBQIVNPCSLQK-ZDUSSCGKSA-N 2 2 280.372 -0.263 20 0 CBADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CCNC(N)=O ZINC001353365825 891412917 /nfs/dbraw/zinc/41/29/17/891412917.db2.gz HIXBQIVNPCSLQK-ZDUSSCGKSA-N 2 2 280.372 -0.263 20 0 CBADLP COc1c(C)c[nH+]c(CNC(=O)[C@H]([NH3+])CO)c1C ZINC001353517404 891439369 /nfs/dbraw/zinc/43/93/69/891439369.db2.gz GANKFNPIBLVRJW-SECBINFHSA-N 2 2 253.302 -0.357 20 0 CBADLP C[C@H](CNC(=O)CC1CC([NH3+])C1)[NH+]1CCN(C)CC1 ZINC001353584367 891450478 /nfs/dbraw/zinc/45/04/78/891450478.db2.gz VGSHQOXGNPNRFA-PNESKVBLSA-N 2 2 268.405 -0.134 20 0 CBADLP C[NH+]1CCN(C(=O)CNc2nccnc2C[NH3+])CC1 ZINC001354089411 891510913 /nfs/dbraw/zinc/51/09/13/891510913.db2.gz LPCRMKFRYNYKAE-UHFFFAOYSA-N 2 2 264.333 -0.879 20 0 CBADLP Cc1ccnn1CC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001354770688 891614770 /nfs/dbraw/zinc/61/47/70/891614770.db2.gz AIIZGUNFRJHGBP-UHFFFAOYSA-N 2 2 265.361 -0.269 20 0 CBADLP C[N@H+](CCNS(C)(=O)=O)C[C@]1(C)CCC[NH2+]C1 ZINC001356083398 891726833 /nfs/dbraw/zinc/72/68/33/891726833.db2.gz OLOKARRBZZPMDN-LLVKDONJSA-N 2 2 263.407 -0.143 20 0 CBADLP C[N@@H+](CCNS(C)(=O)=O)C[C@]1(C)CCC[NH2+]C1 ZINC001356083398 891726838 /nfs/dbraw/zinc/72/68/38/891726838.db2.gz OLOKARRBZZPMDN-LLVKDONJSA-N 2 2 263.407 -0.143 20 0 CBADLP C[C@H](C[NH2+]C[C@H](O)C[NH+]1CCCC1)N1CC[NH+](C)CC1 ZINC001356585794 891779700 /nfs/dbraw/zinc/77/97/00/891779700.db2.gz VVAHRZCYLWPGBO-CABCVRRESA-N 3 2 284.448 -0.331 20 0 CBADLP COCCOC[C@H](O)C[NH2+][C@@H]1Cc2c[nH+]cn2C1 ZINC001357209035 891857454 /nfs/dbraw/zinc/85/74/54/891857454.db2.gz FAEPMZDQFYHSFA-ZYHUDNBSSA-N 2 2 255.318 -0.579 20 0 CBADLP [NH3+]CCN1CCC[C@H](C(=O)NCCCn2cc[nH+]c2)C1=O ZINC001357327677 891870903 /nfs/dbraw/zinc/87/09/03/891870903.db2.gz YDKJBSYGKXGSSS-GFCCVEGCSA-N 2 2 293.371 -0.413 20 0 CBADLP CCOCCO[C@@H](C)C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001358118097 891970819 /nfs/dbraw/zinc/97/08/19/891970819.db2.gz ABSZFVGQLWFQEH-LBPRGKRZSA-N 2 2 287.404 -0.033 20 0 CBADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CCNCC[NH2+]CC1)CC2 ZINC001358223745 891981524 /nfs/dbraw/zinc/98/15/24/891981524.db2.gz MAXZXLAQPGZNOM-ZDUSSCGKSA-N 2 2 291.399 -0.225 20 0 CBADLP CC1(C)C[NH2+]C[C@H]1NC(=O)/C=C/C[NH+]1CCOCC1 ZINC001358408235 892001307 /nfs/dbraw/zinc/00/13/07/892001307.db2.gz VEFCOJBGJMSKHN-AAOUONPWSA-N 2 2 267.373 -0.011 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC001361755869 892221924 /nfs/dbraw/zinc/22/19/24/892221924.db2.gz SAXMQYFRQPCDSM-UHFFFAOYSA-N 2 2 293.371 -0.576 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+]([C@H]2CCOC2=O)CC1 ZINC001362272914 892557004 /nfs/dbraw/zinc/55/70/04/892557004.db2.gz VTVNJBSVRURWTO-STQMWFEESA-N 2 2 295.383 -0.023 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+]([C@H]2CCOC2=O)CC1 ZINC001362272914 892557018 /nfs/dbraw/zinc/55/70/18/892557018.db2.gz VTVNJBSVRURWTO-STQMWFEESA-N 2 2 295.383 -0.023 20 0 CBADLP C[N@@H+]1CC[C@H](C(=O)NC2CC[NH+]([C@@H]3CCOC3=O)CC2)C1 ZINC001362319558 892594296 /nfs/dbraw/zinc/59/42/96/892594296.db2.gz MFAPFHKNEKUJDN-WCQYABFASA-N 2 2 295.383 -0.166 20 0 CBADLP C[N@H+]1CC[C@H](C(=O)NC2CC[NH+]([C@@H]3CCOC3=O)CC2)C1 ZINC001362319558 892594303 /nfs/dbraw/zinc/59/43/03/892594303.db2.gz MFAPFHKNEKUJDN-WCQYABFASA-N 2 2 295.383 -0.166 20 0 CBADLP C[C@H]1CN(C(=O)C[NH+]2CCC(CO)CC2)CC[N@@H+]1CCO ZINC001362381142 892641365 /nfs/dbraw/zinc/64/13/65/892641365.db2.gz XPMAQWXNJMUNTJ-ZDUSSCGKSA-N 2 2 299.415 -0.784 20 0 CBADLP C[C@H]1CN(C(=O)C[NH+]2CCC(CO)CC2)CC[N@H+]1CCO ZINC001362381142 892641375 /nfs/dbraw/zinc/64/13/75/892641375.db2.gz XPMAQWXNJMUNTJ-ZDUSSCGKSA-N 2 2 299.415 -0.784 20 0 CBADLP CC[N@H+]1CC[C@H]1C(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC001450605689 913720384 /nfs/dbraw/zinc/72/03/84/913720384.db2.gz RDCDDJCLRZBVNC-RYUDHWBXSA-N 2 2 255.362 -0.347 20 0 CBADLP CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C12CC[NH+](CC1)C2 ZINC001362838366 893095849 /nfs/dbraw/zinc/09/58/49/893095849.db2.gz WWQUQEQZJIIFJG-NSHDSACASA-N 2 2 291.355 -0.721 20 0 CBADLP CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C12CC[NH+](CC1)C2 ZINC001362838366 893095859 /nfs/dbraw/zinc/09/58/59/893095859.db2.gz WWQUQEQZJIIFJG-NSHDSACASA-N 2 2 291.355 -0.721 20 0 CBADLP C[N@@H+]1CCN(C(=O)CC[NH+]2CC[C@@H](F)C2)[C@H](CO)C1 ZINC001363040712 893294275 /nfs/dbraw/zinc/29/42/75/893294275.db2.gz OEOYEFLEFRVOIU-NEPJUHHUSA-N 2 2 273.352 -0.445 20 0 CBADLP C[N@H+]1CCN(C(=O)CC[NH+]2CC[C@@H](F)C2)[C@H](CO)C1 ZINC001363040712 893294298 /nfs/dbraw/zinc/29/42/98/893294298.db2.gz OEOYEFLEFRVOIU-NEPJUHHUSA-N 2 2 273.352 -0.445 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@@H](F)C2)[C@H](CO)C1 ZINC001363040712 893294317 /nfs/dbraw/zinc/29/43/17/893294317.db2.gz OEOYEFLEFRVOIU-NEPJUHHUSA-N 2 2 273.352 -0.445 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@@H](F)C2)[C@H](CO)C1 ZINC001363040712 893294339 /nfs/dbraw/zinc/29/43/39/893294339.db2.gz OEOYEFLEFRVOIU-NEPJUHHUSA-N 2 2 273.352 -0.445 20 0 CBADLP CC[N@@H+]1CC[C@@H]1C(=O)N1CC([NH+](CCOC)CCOC)C1 ZINC001363191798 893442034 /nfs/dbraw/zinc/44/20/34/893442034.db2.gz WEVIDTPYJINMMJ-CQSZACIVSA-N 2 2 299.415 -0.114 20 0 CBADLP CC[N@H+]1CC[C@@H]1C(=O)N1CC([NH+](CCOC)CCOC)C1 ZINC001363191798 893442040 /nfs/dbraw/zinc/44/20/40/893442040.db2.gz WEVIDTPYJINMMJ-CQSZACIVSA-N 2 2 299.415 -0.114 20 0 CBADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@@H](CNS(C)(=O)=O)C1 ZINC001363297760 893553810 /nfs/dbraw/zinc/55/38/10/893553810.db2.gz LOFROMUZTWAOEY-NSHDSACASA-N 2 2 286.401 -0.166 20 0 CBADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@@H](CNS(C)(=O)=O)C1 ZINC001363297760 893553827 /nfs/dbraw/zinc/55/38/27/893553827.db2.gz LOFROMUZTWAOEY-NSHDSACASA-N 2 2 286.401 -0.166 20 0 CBADLP C[C@@H](CN(C)C(=O)CC[NH+](C)C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001451224116 913784936 /nfs/dbraw/zinc/78/49/36/913784936.db2.gz XWPSGDCGAHHJGT-NSHDSACASA-N 2 2 295.387 -0.133 20 0 CBADLP C[C@H]1C[N@H+](CCO)CCN1C(=O)CC[NH+]1CCOCC1 ZINC001451356388 913823733 /nfs/dbraw/zinc/82/37/33/913823733.db2.gz PGSWWBGJSBDCMN-ZDUSSCGKSA-N 2 2 285.388 -0.766 20 0 CBADLP C[C@H]1C[N@@H+](CCO)CCN1C(=O)CC[NH+]1CCOCC1 ZINC001451356388 913823745 /nfs/dbraw/zinc/82/37/45/913823745.db2.gz PGSWWBGJSBDCMN-ZDUSSCGKSA-N 2 2 285.388 -0.766 20 0 CBADLP COCCN(CC1CC[NH+](C)CC1)c1nc(N)nc(N)[nH+]1 ZINC001363745481 893958604 /nfs/dbraw/zinc/95/86/04/893958604.db2.gz QKMMIDXZXUVSDT-UHFFFAOYSA-N 2 2 295.391 -0.169 20 0 CBADLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(=O)n3nc(N)[nH]c3n2)C1 ZINC001363786048 893989479 /nfs/dbraw/zinc/98/94/79/893989479.db2.gz ONHDFOFEKCQGRI-VIFPVBQESA-N 2 2 291.359 -0.617 20 0 CBADLP CNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)[NH+](C)C)CC1 ZINC001364178420 894232367 /nfs/dbraw/zinc/23/23/67/894232367.db2.gz BPRUAXMESCBRII-NSHDSACASA-N 2 2 270.377 -0.783 20 0 CBADLP CNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C)[NH+](C)C)CC1 ZINC001364178420 894232381 /nfs/dbraw/zinc/23/23/81/894232381.db2.gz BPRUAXMESCBRII-NSHDSACASA-N 2 2 270.377 -0.783 20 0 CBADLP C[N@H+](CC(=O)N1CC([NH2+]C2COC2)C1)[C@H]1CCSC1 ZINC001364361505 894363199 /nfs/dbraw/zinc/36/31/99/894363199.db2.gz HMKVMFJZPWGUHI-LBPRGKRZSA-N 2 2 285.413 -0.377 20 0 CBADLP C[N@@H+](CC(=O)N1CC([NH2+]C2COC2)C1)[C@H]1CCSC1 ZINC001364361505 894363214 /nfs/dbraw/zinc/36/32/14/894363214.db2.gz HMKVMFJZPWGUHI-LBPRGKRZSA-N 2 2 285.413 -0.377 20 0 CBADLP CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001364652226 894544889 /nfs/dbraw/zinc/54/48/89/894544889.db2.gz RXABFCJEMODGQS-JQWIXIFHSA-N 2 2 293.371 -0.475 20 0 CBADLP CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001364652226 894544910 /nfs/dbraw/zinc/54/49/10/894544910.db2.gz RXABFCJEMODGQS-JQWIXIFHSA-N 2 2 293.371 -0.475 20 0 CBADLP CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001364652226 894544925 /nfs/dbraw/zinc/54/49/25/894544925.db2.gz RXABFCJEMODGQS-JQWIXIFHSA-N 2 2 293.371 -0.475 20 0 CBADLP CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001364652226 894544931 /nfs/dbraw/zinc/54/49/31/894544931.db2.gz RXABFCJEMODGQS-JQWIXIFHSA-N 2 2 293.371 -0.475 20 0 CBADLP C[C@H]1CCC[N@@H+]1CCNS(=O)(=O)N1CC[NH+](C)CC1 ZINC001364821978 894640062 /nfs/dbraw/zinc/64/00/62/894640062.db2.gz NVFLPOWCERRWNV-LBPRGKRZSA-N 2 2 290.433 -0.448 20 0 CBADLP C[C@H]1CCC[N@H+]1CCNS(=O)(=O)N1CC[NH+](C)CC1 ZINC001364821978 894640070 /nfs/dbraw/zinc/64/00/70/894640070.db2.gz NVFLPOWCERRWNV-LBPRGKRZSA-N 2 2 290.433 -0.448 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@](C)(COC)CC(=O)OC ZINC001365273661 894864455 /nfs/dbraw/zinc/86/44/55/894864455.db2.gz GQUHKYSLQVKWFS-AAEUAGOBSA-N 2 2 276.377 -0.143 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@](C)(COC)CC(=O)OC ZINC001365273661 894864469 /nfs/dbraw/zinc/86/44/69/894864469.db2.gz GQUHKYSLQVKWFS-AAEUAGOBSA-N 2 2 276.377 -0.143 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@](C)(COC)CC(=O)OC ZINC001365273669 894864836 /nfs/dbraw/zinc/86/48/36/894864836.db2.gz GQUHKYSLQVKWFS-YPMHNXCESA-N 2 2 276.377 -0.143 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@](C)(COC)CC(=O)OC ZINC001365273669 894864850 /nfs/dbraw/zinc/86/48/50/894864850.db2.gz GQUHKYSLQVKWFS-YPMHNXCESA-N 2 2 276.377 -0.143 20 0 CBADLP CNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001365843724 895131680 /nfs/dbraw/zinc/13/16/80/895131680.db2.gz XCVJIIBGCJLSJB-XYPYZODXSA-N 2 2 293.371 -0.509 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001365848798 895131860 /nfs/dbraw/zinc/13/18/60/895131860.db2.gz KGPXGQKBECCHLG-SRVKXCTJSA-N 2 2 293.371 -0.498 20 0 CBADLP CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001365848650 895132286 /nfs/dbraw/zinc/13/22/86/895132286.db2.gz JRNYWKMPRWGLNA-HAQNSBGRSA-N 2 2 293.371 -0.496 20 0 CBADLP CNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001365852709 895135611 /nfs/dbraw/zinc/13/56/11/895135611.db2.gz QRULKOTXMVLADG-XYPYZODXSA-N 2 2 279.344 -0.887 20 0 CBADLP CN(C)C(=O)C[NH2+][C@@H](CNC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001366057483 895182003 /nfs/dbraw/zinc/18/20/03/895182003.db2.gz MTVARBWWGNKGKW-NSHDSACASA-N 2 2 293.371 -0.475 20 0 CBADLP O=C(C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1)NC1CC1 ZINC001366104371 895192087 /nfs/dbraw/zinc/19/20/87/895192087.db2.gz PCNAADOLBRQLOU-LBPRGKRZSA-N 2 2 291.355 -0.648 20 0 CBADLP CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001366161813 895212238 /nfs/dbraw/zinc/21/22/38/895212238.db2.gz DDUXTTUGZKRLKW-AOOOYVTPSA-N 2 2 279.344 -0.675 20 0 CBADLP CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001366168424 895214693 /nfs/dbraw/zinc/21/46/93/895214693.db2.gz RQPHWWXAOFNGIF-PHIMTYICSA-N 2 2 293.371 -0.665 20 0 CBADLP NC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001366216290 895222230 /nfs/dbraw/zinc/22/22/30/895222230.db2.gz OHNOTKQPYMACFN-LBPRGKRZSA-N 2 2 293.371 -0.202 20 0 CBADLP NC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001366216290 895222248 /nfs/dbraw/zinc/22/22/48/895222248.db2.gz OHNOTKQPYMACFN-LBPRGKRZSA-N 2 2 293.371 -0.202 20 0 CBADLP C[C@H]([NH2+]C[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1)C(N)=O ZINC001366222698 895227970 /nfs/dbraw/zinc/22/79/70/895227970.db2.gz BAMVCVSEPICVKB-RYUDHWBXSA-N 2 2 293.371 -0.272 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]Cc1nccn1C ZINC001366264804 895243567 /nfs/dbraw/zinc/24/35/67/895243567.db2.gz QEUPXODFYWVQRP-NEPJUHHUSA-N 2 2 295.387 -0.655 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]Cc1nccn1C ZINC001366264804 895243580 /nfs/dbraw/zinc/24/35/80/895243580.db2.gz QEUPXODFYWVQRP-NEPJUHHUSA-N 2 2 295.387 -0.655 20 0 CBADLP C[C@H](CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1)[NH2+]CCO ZINC001366286684 895258825 /nfs/dbraw/zinc/25/88/25/895258825.db2.gz HYXDWYZWMVRWOE-ZWNOBZJWSA-N 2 2 295.387 -0.123 20 0 CBADLP C[C@H](CNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1)[NH2+]CCO ZINC001366286684 895258842 /nfs/dbraw/zinc/25/88/42/895258842.db2.gz HYXDWYZWMVRWOE-ZWNOBZJWSA-N 2 2 295.387 -0.123 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NC[C@H](C)[NH2+]Cc1cnn(C)n1 ZINC001366307496 895265830 /nfs/dbraw/zinc/26/58/30/895265830.db2.gz XBADYPSTBCRXAT-JTQLQIEISA-N 2 2 291.359 -0.385 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]Cc1ncnn1C ZINC001366321502 895277748 /nfs/dbraw/zinc/27/77/48/895277748.db2.gz ZPZWYEDQSYZWTP-RYUDHWBXSA-N 2 2 294.403 -0.106 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]Cc1ncnn1C ZINC001366321502 895277758 /nfs/dbraw/zinc/27/77/58/895277758.db2.gz ZPZWYEDQSYZWTP-RYUDHWBXSA-N 2 2 294.403 -0.106 20 0 CBADLP CCCNC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001366335760 895287264 /nfs/dbraw/zinc/28/72/64/895287264.db2.gz CDLNJOPYQSRKAI-GHMZBOCLSA-N 2 2 295.387 -0.039 20 0 CBADLP CC[C@@H]([NH2+][C@H](C)CNC(=O)Cc1[nH]c[nH+]c1C)C(N)=O ZINC001366363809 895293278 /nfs/dbraw/zinc/29/32/78/895293278.db2.gz SXWMWRIGGVACGH-PSASIEDQSA-N 2 2 281.360 -0.381 20 0 CBADLP C[C@H](CCNC(=O)CCc1c[nH]c[nH+]1)[NH2+][C@@H]1CCNC1=O ZINC001366458565 895323924 /nfs/dbraw/zinc/32/39/24/895323924.db2.gz DKAWLAKJOKGBMZ-ZYHUDNBSSA-N 2 2 293.371 -0.285 20 0 CBADLP C[C@H](CCNC(=O)CCc1c[nH+]c[nH]1)[NH2+][C@@H]1CCNC1=O ZINC001366458565 895323935 /nfs/dbraw/zinc/32/39/35/895323935.db2.gz DKAWLAKJOKGBMZ-ZYHUDNBSSA-N 2 2 293.371 -0.285 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCC[C@H](C)[NH2+]CC(=O)N(C)C ZINC001366496050 895333649 /nfs/dbraw/zinc/33/36/49/895333649.db2.gz HBJWNTOKQQNZNK-JTQLQIEISA-N 2 2 295.387 -0.167 20 0 CBADLP CCNC(=O)C[N@H+](C)CCNC(=O)Cn1c[nH+]cc1C ZINC001366552772 895373828 /nfs/dbraw/zinc/37/38/28/895373828.db2.gz UCKYZQRBJSQILH-UHFFFAOYSA-N 2 2 281.360 -0.624 20 0 CBADLP CCNC(=O)C[N@@H+](C)CCNC(=O)Cn1c[nH+]cc1C ZINC001366552772 895373839 /nfs/dbraw/zinc/37/38/39/895373839.db2.gz UCKYZQRBJSQILH-UHFFFAOYSA-N 2 2 281.360 -0.624 20 0 CBADLP C[N@H+](CCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21)CC(N)=O ZINC001366574057 895388276 /nfs/dbraw/zinc/38/82/76/895388276.db2.gz MTVUITVKCUTDEQ-NWDGAFQWSA-N 2 2 282.388 -0.463 20 0 CBADLP C[N@@H+](CCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21)CC(N)=O ZINC001366574057 895388293 /nfs/dbraw/zinc/38/82/93/895388293.db2.gz MTVUITVKCUTDEQ-NWDGAFQWSA-N 2 2 282.388 -0.463 20 0 CBADLP C[NH+](CCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21)CC(N)=O ZINC001366574057 895388310 /nfs/dbraw/zinc/38/83/10/895388310.db2.gz MTVUITVKCUTDEQ-NWDGAFQWSA-N 2 2 282.388 -0.463 20 0 CBADLP C[NH+](CCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21)CC(N)=O ZINC001366574057 895388326 /nfs/dbraw/zinc/38/83/26/895388326.db2.gz MTVUITVKCUTDEQ-NWDGAFQWSA-N 2 2 282.388 -0.463 20 0 CBADLP CCCNC(=O)C[N@H+](C)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001366567886 895391369 /nfs/dbraw/zinc/39/13/69/895391369.db2.gz XRBGXYOADGNOJZ-CYBMUJFWSA-N 2 2 298.431 -0.098 20 0 CBADLP CCCNC(=O)C[N@@H+](C)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001366567886 895391383 /nfs/dbraw/zinc/39/13/83/895391383.db2.gz XRBGXYOADGNOJZ-CYBMUJFWSA-N 2 2 298.431 -0.098 20 0 CBADLP CCCNC(=O)C[NH+](C)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001366567886 895391395 /nfs/dbraw/zinc/39/13/95/895391395.db2.gz XRBGXYOADGNOJZ-CYBMUJFWSA-N 2 2 298.431 -0.098 20 0 CBADLP CCCNC(=O)C[NH+](C)CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001366567886 895391404 /nfs/dbraw/zinc/39/14/04/895391404.db2.gz XRBGXYOADGNOJZ-CYBMUJFWSA-N 2 2 298.431 -0.098 20 0 CBADLP CC[N@H+](CCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)CC(N)=O ZINC001366611944 895410871 /nfs/dbraw/zinc/41/08/71/895410871.db2.gz GTQVPRNQIHUZPY-STQMWFEESA-N 2 2 296.415 -0.073 20 0 CBADLP CC[N@@H+](CCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)CC(N)=O ZINC001366611944 895410884 /nfs/dbraw/zinc/41/08/84/895410884.db2.gz GTQVPRNQIHUZPY-STQMWFEESA-N 2 2 296.415 -0.073 20 0 CBADLP CC[NH+](CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)CC(N)=O ZINC001366611944 895410894 /nfs/dbraw/zinc/41/08/94/895410894.db2.gz GTQVPRNQIHUZPY-STQMWFEESA-N 2 2 296.415 -0.073 20 0 CBADLP CC[NH+](CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21)CC(N)=O ZINC001366611944 895410906 /nfs/dbraw/zinc/41/09/06/895410906.db2.gz GTQVPRNQIHUZPY-STQMWFEESA-N 2 2 296.415 -0.073 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001366674924 895427568 /nfs/dbraw/zinc/42/75/68/895427568.db2.gz GBBQYDHFCTVUBJ-QWRGUYRKSA-N 2 2 279.344 -0.663 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001366674924 895427578 /nfs/dbraw/zinc/42/75/78/895427578.db2.gz GBBQYDHFCTVUBJ-QWRGUYRKSA-N 2 2 279.344 -0.663 20 0 CBADLP CNC(=O)C[N@H+](CCNC(=O)C[NH+]1CC[C@H](C)C1)C1CC1 ZINC001366753171 895448262 /nfs/dbraw/zinc/44/82/62/895448262.db2.gz ZSBNDSIBMFOYAJ-LBPRGKRZSA-N 2 2 296.415 -0.345 20 0 CBADLP CNC(=O)C[N@@H+](CCNC(=O)C[NH+]1CC[C@H](C)C1)C1CC1 ZINC001366753171 895448271 /nfs/dbraw/zinc/44/82/71/895448271.db2.gz ZSBNDSIBMFOYAJ-LBPRGKRZSA-N 2 2 296.415 -0.345 20 0 CBADLP CNC(=O)C[NH+](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)C1CC1 ZINC001366753171 895448282 /nfs/dbraw/zinc/44/82/82/895448282.db2.gz ZSBNDSIBMFOYAJ-LBPRGKRZSA-N 2 2 296.415 -0.345 20 0 CBADLP CNC(=O)C[NH+](CCNC(=O)C[N@H+]1CC[C@H](C)C1)C1CC1 ZINC001366753171 895448293 /nfs/dbraw/zinc/44/82/93/895448293.db2.gz ZSBNDSIBMFOYAJ-LBPRGKRZSA-N 2 2 296.415 -0.345 20 0 CBADLP C[C@@H]([NH2+]CC(N)=O)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001366784443 895460017 /nfs/dbraw/zinc/46/00/17/895460017.db2.gz ZFRBUXYOKXDREK-SNVBAGLBSA-N 2 2 293.371 -0.346 20 0 CBADLP C[C@H]([NH2+]CCN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1)C(N)=O ZINC001366835266 895466864 /nfs/dbraw/zinc/46/68/64/895466864.db2.gz XMFQTTFTQGTPSN-WDEREUQCSA-N 2 2 293.371 -0.633 20 0 CBADLP COC[C@H](C)[NH+]1CC(NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001366948576 895498130 /nfs/dbraw/zinc/49/81/30/895498130.db2.gz KAHGIVDVCOCXOY-OLZOCXBDSA-N 2 2 299.415 -0.210 20 0 CBADLP COCC[NH+]1CC(NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001366951995 895500832 /nfs/dbraw/zinc/50/08/32/895500832.db2.gz WVVQMGCTPYTUPQ-GFCCVEGCSA-N 2 2 285.388 -0.599 20 0 CBADLP COCC[NH+]1CC(NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001366951999 895501649 /nfs/dbraw/zinc/50/16/49/895501649.db2.gz WVVQMGCTPYTUPQ-LBPRGKRZSA-N 2 2 285.388 -0.599 20 0 CBADLP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001366989265 895515540 /nfs/dbraw/zinc/51/55/40/895515540.db2.gz NXPJSOOGRFDQHS-QWRGUYRKSA-N 2 2 282.388 -0.608 20 0 CBADLP COC[C@@H](O)C[NH+]1CC(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001366986545 895518180 /nfs/dbraw/zinc/51/81/80/895518180.db2.gz YUIWRGPGKTYICH-NSHDSACASA-N 2 2 282.344 -0.993 20 0 CBADLP CCN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001367005548 895524578 /nfs/dbraw/zinc/52/45/78/895524578.db2.gz BNSLBOZOQOQLJN-QWHCGFSZSA-N 2 2 296.415 -0.251 20 0 CBADLP CCN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001367005548 895524587 /nfs/dbraw/zinc/52/45/87/895524587.db2.gz BNSLBOZOQOQLJN-QWHCGFSZSA-N 2 2 296.415 -0.251 20 0 CBADLP CCN(C)C(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001367005548 895524597 /nfs/dbraw/zinc/52/45/97/895524597.db2.gz BNSLBOZOQOQLJN-QWHCGFSZSA-N 2 2 296.415 -0.251 20 0 CBADLP CCN(C)C(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001367005548 895524603 /nfs/dbraw/zinc/52/46/03/895524603.db2.gz BNSLBOZOQOQLJN-QWHCGFSZSA-N 2 2 296.415 -0.251 20 0 CBADLP C[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001367014468 895534433 /nfs/dbraw/zinc/53/44/33/895534433.db2.gz VDCNEPRTEYMFKH-NEPJUHHUSA-N 2 2 280.372 -0.076 20 0 CBADLP C[C@@H](O)C[N@H+]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001367014468 895534444 /nfs/dbraw/zinc/53/44/44/895534444.db2.gz VDCNEPRTEYMFKH-NEPJUHHUSA-N 2 2 280.372 -0.076 20 0 CBADLP CC(C)NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001367018001 895534508 /nfs/dbraw/zinc/53/45/08/895534508.db2.gz VZAVXJHYJUYGBC-STQMWFEESA-N 2 2 296.415 -0.347 20 0 CBADLP CC(C)NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001367018001 895534521 /nfs/dbraw/zinc/53/45/21/895534521.db2.gz VZAVXJHYJUYGBC-STQMWFEESA-N 2 2 296.415 -0.347 20 0 CBADLP CC(C)NC(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001367018001 895534531 /nfs/dbraw/zinc/53/45/31/895534531.db2.gz VZAVXJHYJUYGBC-STQMWFEESA-N 2 2 296.415 -0.347 20 0 CBADLP CC(C)NC(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001367018001 895534540 /nfs/dbraw/zinc/53/45/40/895534540.db2.gz VZAVXJHYJUYGBC-STQMWFEESA-N 2 2 296.415 -0.347 20 0 CBADLP C[C@@H]([NH2+]C[C@](C)(NC(=O)Cc1c[nH]c[nH+]1)C1CC1)C(N)=O ZINC001367183887 895578640 /nfs/dbraw/zinc/57/86/40/895578640.db2.gz VCTFGBFFQZTXFY-OTYXRUKQSA-N 2 2 293.371 -0.300 20 0 CBADLP C[C@@H]([NH2+]CC1(NC(=O)Cc2[nH]cc[nH+]2)CCCC1)C(N)=O ZINC001367162454 895579943 /nfs/dbraw/zinc/57/99/43/895579943.db2.gz VTSCZVGPPIXHHR-SNVBAGLBSA-N 2 2 293.371 -0.155 20 0 CBADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+][C@@H]1CCCNC1=O ZINC001367281068 895602741 /nfs/dbraw/zinc/60/27/41/895602741.db2.gz BGYODDFYLXYOLV-VXGBXAGGSA-N 2 2 293.371 -0.496 20 0 CBADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+][C@H]1CCCNC1=O ZINC001367281051 895602841 /nfs/dbraw/zinc/60/28/41/895602841.db2.gz BGYODDFYLXYOLV-NEPJUHHUSA-N 2 2 293.371 -0.496 20 0 CBADLP C[C@@H]([NH2+]C[C@@H](C)CNC(=O)Cn1cc[nH+]c1)C(=O)N(C)C ZINC001367292528 895605927 /nfs/dbraw/zinc/60/59/27/895605927.db2.gz ROXWUFNTYSDDJT-VXGBXAGGSA-N 2 2 295.387 -0.298 20 0 CBADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+][C@@H](C)C(=O)N(C)C ZINC001367292499 895605985 /nfs/dbraw/zinc/60/59/85/895605985.db2.gz ROXWUFNTYSDDJT-NEPJUHHUSA-N 2 2 295.387 -0.298 20 0 CBADLP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@H+](C[C@H](C)O)CCO1 ZINC001367310582 895612080 /nfs/dbraw/zinc/61/20/80/895612080.db2.gz VPJRXTIQFLJWFY-QWHCGFSZSA-N 2 2 287.404 -0.476 20 0 CBADLP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](C[C@H](C)O)CCO1 ZINC001367310582 895612084 /nfs/dbraw/zinc/61/20/84/895612084.db2.gz VPJRXTIQFLJWFY-QWHCGFSZSA-N 2 2 287.404 -0.476 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](C[C@H](C)O)CCO1 ZINC001367310582 895612091 /nfs/dbraw/zinc/61/20/91/895612091.db2.gz VPJRXTIQFLJWFY-QWHCGFSZSA-N 2 2 287.404 -0.476 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NC[C@@H]1C[NH+](C[C@H](C)O)CCO1 ZINC001367310582 895612096 /nfs/dbraw/zinc/61/20/96/895612096.db2.gz VPJRXTIQFLJWFY-QWHCGFSZSA-N 2 2 287.404 -0.476 20 0 CBADLP CCNC(=O)C[NH2+][C@H](CNC(=O)Cc1c[nH]c[nH+]1)C(C)C ZINC001367480343 895642237 /nfs/dbraw/zinc/64/22/37/895642237.db2.gz IKDVAFYUCLYBSQ-GFCCVEGCSA-N 2 2 295.387 -0.181 20 0 CBADLP CNC(=O)C[NH2+][C@@H](CNC(=O)Cn1cc[nH+]c1)C(C)C ZINC001367499544 895644696 /nfs/dbraw/zinc/64/46/96/895644696.db2.gz WVMSPMXTTJEUGX-NSHDSACASA-N 2 2 281.360 -0.641 20 0 CBADLP CNC(=O)C[N@H+](C)CCN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001367545042 895657124 /nfs/dbraw/zinc/65/71/24/895657124.db2.gz HJMARLJUNPLPFT-GFCCVEGCSA-N 2 2 284.404 -0.536 20 0 CBADLP CNC(=O)C[N@@H+](C)CCN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001367545042 895657129 /nfs/dbraw/zinc/65/71/29/895657129.db2.gz HJMARLJUNPLPFT-GFCCVEGCSA-N 2 2 284.404 -0.536 20 0 CBADLP CNC(=O)C[NH+](C)CCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001367545042 895657136 /nfs/dbraw/zinc/65/71/36/895657136.db2.gz HJMARLJUNPLPFT-GFCCVEGCSA-N 2 2 284.404 -0.536 20 0 CBADLP CNC(=O)C[NH+](C)CCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001367545042 895657142 /nfs/dbraw/zinc/65/71/42/895657142.db2.gz HJMARLJUNPLPFT-GFCCVEGCSA-N 2 2 284.404 -0.536 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CCN(C)C(=O)C[NH+]1CCCC1 ZINC001367550502 895660990 /nfs/dbraw/zinc/66/09/90/895660990.db2.gz HYFPQDMNFDIFSP-UHFFFAOYSA-N 2 2 298.431 -0.003 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CCN(C)C(=O)C[NH+]1CCCC1 ZINC001367550502 895660999 /nfs/dbraw/zinc/66/09/99/895660999.db2.gz HYFPQDMNFDIFSP-UHFFFAOYSA-N 2 2 298.431 -0.003 20 0 CBADLP NC(=O)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001367565318 895668965 /nfs/dbraw/zinc/66/89/65/895668965.db2.gz RNZIRRALMWIIIN-WDEREUQCSA-N 2 2 279.344 -0.757 20 0 CBADLP C[C@H](C[NH2+]Cc1nncn1C)NC(=O)CCn1cc[nH+]c1 ZINC001367690764 895751210 /nfs/dbraw/zinc/75/12/10/895751210.db2.gz JGJVZUPCZQRBHX-LLVKDONJSA-N 2 2 291.359 -0.304 20 0 CBADLP COC[C@@H](O)C[NH2+]C[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001367710083 895758612 /nfs/dbraw/zinc/75/86/12/895758612.db2.gz AMYVQRFRKFVXHX-KOLCDFICSA-N 2 2 284.360 -0.638 20 0 CBADLP C[C@@H](C[NH2+][C@@H](C)C(=O)N(C)C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001367764182 895794440 /nfs/dbraw/zinc/79/44/40/895794440.db2.gz QVZUTQXLDJNYRM-UWVGGRQHSA-N 2 2 281.360 -0.477 20 0 CBADLP C[C@@H]([NH2+]C[C@H](C)NC(=O)Cc1[nH]cc[nH+]1)C(=O)N(C)C ZINC001367764183 895799193 /nfs/dbraw/zinc/79/91/93/895799193.db2.gz QVZUTQXLDJNYRM-VHSXEESVSA-N 2 2 281.360 -0.477 20 0 CBADLP CC(C)OCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001367936935 895857576 /nfs/dbraw/zinc/85/75/76/895857576.db2.gz OTASIGFNOBROJW-KGLIPLIRSA-N 2 2 299.415 -0.068 20 0 CBADLP CC(C)OCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001367936935 895857582 /nfs/dbraw/zinc/85/75/82/895857582.db2.gz OTASIGFNOBROJW-KGLIPLIRSA-N 2 2 299.415 -0.068 20 0 CBADLP CC(C)OCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001367936935 895857589 /nfs/dbraw/zinc/85/75/89/895857589.db2.gz OTASIGFNOBROJW-KGLIPLIRSA-N 2 2 299.415 -0.068 20 0 CBADLP CC(C)OCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001367936935 895857596 /nfs/dbraw/zinc/85/75/96/895857596.db2.gz OTASIGFNOBROJW-KGLIPLIRSA-N 2 2 299.415 -0.068 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+]1CC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001367962348 895868503 /nfs/dbraw/zinc/86/85/03/895868503.db2.gz RHYJJFZYHNRUPP-RYUDHWBXSA-N 2 2 284.404 -0.347 20 0 CBADLP CNC(=O)[C@H](C)[N@H+]1CC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001367962348 895868512 /nfs/dbraw/zinc/86/85/12/895868512.db2.gz RHYJJFZYHNRUPP-RYUDHWBXSA-N 2 2 284.404 -0.347 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001367953347 895868853 /nfs/dbraw/zinc/86/88/53/895868853.db2.gz QVVGSVPXEMGBSX-VXGBXAGGSA-N 2 2 293.371 -0.354 20 0 CBADLP CC[C@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001367953347 895868860 /nfs/dbraw/zinc/86/88/60/895868860.db2.gz QVVGSVPXEMGBSX-VXGBXAGGSA-N 2 2 293.371 -0.354 20 0 CBADLP COC[C@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001367972402 895874768 /nfs/dbraw/zinc/87/47/68/895874768.db2.gz KXQMQKHNLNDOTG-VXGBXAGGSA-N 2 2 296.371 -0.542 20 0 CBADLP COC[C@H](O)C[N@H+]1CC[C@@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001367972402 895874773 /nfs/dbraw/zinc/87/47/73/895874773.db2.gz KXQMQKHNLNDOTG-VXGBXAGGSA-N 2 2 296.371 -0.542 20 0 CBADLP CN(C)C(=O)C[N@@H+]1CC[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001367988827 895882062 /nfs/dbraw/zinc/88/20/62/895882062.db2.gz WUBIPNBPXUWZMT-QWHCGFSZSA-N 2 2 296.415 -0.393 20 0 CBADLP CN(C)C(=O)C[N@H+]1CC[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001367988827 895882065 /nfs/dbraw/zinc/88/20/65/895882065.db2.gz WUBIPNBPXUWZMT-QWHCGFSZSA-N 2 2 296.415 -0.393 20 0 CBADLP CN(C)C(=O)C[NH+]1CC[C@@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001367988827 895882068 /nfs/dbraw/zinc/88/20/68/895882068.db2.gz WUBIPNBPXUWZMT-QWHCGFSZSA-N 2 2 296.415 -0.393 20 0 CBADLP CN(C)C(=O)C[NH+]1CC[C@@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001367988827 895882072 /nfs/dbraw/zinc/88/20/72/895882072.db2.gz WUBIPNBPXUWZMT-QWHCGFSZSA-N 2 2 296.415 -0.393 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NCC1([NH2+][C@@H]2CCCNC2=O)CC1 ZINC001368028252 895897619 /nfs/dbraw/zinc/89/76/19/895897619.db2.gz JHFCQXVCFFCXCN-SNVBAGLBSA-N 2 2 291.355 -0.531 20 0 CBADLP COC[C@@H](O)C[NH+]1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001368078851 895904270 /nfs/dbraw/zinc/90/42/70/895904270.db2.gz KLCVIRKSOPXUDY-QWHCGFSZSA-N 2 2 285.388 -0.770 20 0 CBADLP COC[C@@H](O)C[NH+]1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001368078851 895904280 /nfs/dbraw/zinc/90/42/80/895904280.db2.gz KLCVIRKSOPXUDY-QWHCGFSZSA-N 2 2 285.388 -0.770 20 0 CBADLP COC[C@H](O)C[NH+]1CC(N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC001368081426 895906235 /nfs/dbraw/zinc/90/62/35/895906235.db2.gz VDOXDSQRBBUNRM-CYBMUJFWSA-N 2 2 296.371 -0.659 20 0 CBADLP CC1(NC(=O)CCn2cc[nH+]c2)CC[NH+](CC(N)=O)CC1 ZINC001368122024 895920113 /nfs/dbraw/zinc/92/01/13/895920113.db2.gz YKOUXBQVNGVREJ-UHFFFAOYSA-N 2 2 293.371 -0.271 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCC1([NH2+]CCO)CCOCC1 ZINC001368238036 895938902 /nfs/dbraw/zinc/93/89/02/895938902.db2.gz BAKOMHGWELESFY-UHFFFAOYSA-N 2 2 296.371 -0.492 20 0 CBADLP COC[C@@H](C)[NH+]1CC(O)(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001368318945 895980076 /nfs/dbraw/zinc/98/00/76/895980076.db2.gz OHIUFZCPBOOPPN-CHWSQXEVSA-N 2 2 299.415 -0.474 20 0 CBADLP COC[C@@H](C)[NH+]1CC(O)(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001368318945 895980080 /nfs/dbraw/zinc/98/00/80/895980080.db2.gz OHIUFZCPBOOPPN-CHWSQXEVSA-N 2 2 299.415 -0.474 20 0 CBADLP O=C(CCn1cc[nH+]c1)N[C@]1(CO)CCC[N@@H+](CCO)C1 ZINC001368370045 895994316 /nfs/dbraw/zinc/99/43/16/895994316.db2.gz GLMMVZBTVRJFCO-CQSZACIVSA-N 2 2 296.371 -0.791 20 0 CBADLP O=C(CCn1cc[nH+]c1)N[C@]1(CO)CCC[N@H+](CCO)C1 ZINC001368370045 895994331 /nfs/dbraw/zinc/99/43/31/895994331.db2.gz GLMMVZBTVRJFCO-CQSZACIVSA-N 2 2 296.371 -0.791 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001368502244 896023955 /nfs/dbraw/zinc/02/39/55/896023955.db2.gz ITQLGQSAKGIBGB-MXWKQRLJSA-N 2 2 293.371 -0.442 20 0 CBADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001368502244 896023967 /nfs/dbraw/zinc/02/39/67/896023967.db2.gz ITQLGQSAKGIBGB-MXWKQRLJSA-N 2 2 293.371 -0.442 20 0 CBADLP C[NH+](C)CCC(=O)NC[C@@H]1CCC2(C[NH+](CCO)C2)O1 ZINC001368580410 896041271 /nfs/dbraw/zinc/04/12/71/896041271.db2.gz KCMVNXAGRRUTQN-LBPRGKRZSA-N 2 2 285.388 -0.720 20 0 CBADLP C[C@@H](CCNC(=O)Cc1[nH]cc[nH+]1)[NH2+]Cc1cn(C)nn1 ZINC001368738862 896071379 /nfs/dbraw/zinc/07/13/79/896071379.db2.gz AMXRNYBWTOBMMA-JTQLQIEISA-N 2 2 291.359 -0.235 20 0 CBADLP CNC(=O)C[NH2+][C@@H](C)CCNC(=O)CCc1c[nH+]cn1C ZINC001368745747 896074505 /nfs/dbraw/zinc/07/45/05/896074505.db2.gz XQOYDAJSKFXDRZ-NSHDSACASA-N 2 2 295.387 -0.417 20 0 CBADLP C[C@@H]([NH2+]CCn1cncn1)[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001368873227 896105005 /nfs/dbraw/zinc/10/50/05/896105005.db2.gz MVLKYQDCRVVPCQ-MNOVXSKESA-N 2 2 291.359 -0.273 20 0 CBADLP CCC[N@H+](C)CC(=O)N[C@H](C)C1C[NH+]([C@H](C)C(N)=O)C1 ZINC001369141574 896159647 /nfs/dbraw/zinc/15/96/47/896159647.db2.gz CWVXZRWXVSBKPK-GHMZBOCLSA-N 2 2 284.404 -0.362 20 0 CBADLP CCC[N@@H+](C)CC(=O)N[C@H](C)C1C[NH+]([C@H](C)C(N)=O)C1 ZINC001369141574 896159653 /nfs/dbraw/zinc/15/96/53/896159653.db2.gz CWVXZRWXVSBKPK-GHMZBOCLSA-N 2 2 284.404 -0.362 20 0 CBADLP CC(C)[C@@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+][C@@H](C)C(N)=O ZINC001369198379 896167648 /nfs/dbraw/zinc/16/76/48/896167648.db2.gz JJLXYPBHZPWPML-NWDGAFQWSA-N 2 2 295.387 -0.123 20 0 CBADLP CNC(=O)C[NH2+][C@H](CCNC(=O)Cc1c[nH]c[nH+]1)C(C)C ZINC001369194175 896168081 /nfs/dbraw/zinc/16/80/81/896168081.db2.gz HKGAGSODQKLGRD-GFCCVEGCSA-N 2 2 295.387 -0.181 20 0 CBADLP C[C@@H](CN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1)[NH2+]CC(N)=O ZINC001369254999 896181959 /nfs/dbraw/zinc/18/19/59/896181959.db2.gz BEIRXSKWCDEBJY-WDEREUQCSA-N 2 2 293.371 -0.633 20 0 CBADLP CNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)CCc1[nH+]ccn1C ZINC001369263466 896185601 /nfs/dbraw/zinc/18/56/01/896185601.db2.gz HIAOAYAVDGSFEX-NSHDSACASA-N 2 2 295.387 -0.465 20 0 CBADLP CO[C@@H](C)C[NH2+][C@@H](CO)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001369369753 896242786 /nfs/dbraw/zinc/24/27/86/896242786.db2.gz HEYYSMOSYWODEU-VHSXEESVSA-N 2 2 270.333 -0.946 20 0 CBADLP CO[C@H](C)C[NH2+][C@@H](CO)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001369369747 896244810 /nfs/dbraw/zinc/24/48/10/896244810.db2.gz HEYYSMOSYWODEU-NXEZZACHSA-N 2 2 270.333 -0.946 20 0 CBADLP C[N@@H+]1CC[C@H](C(=O)NC[C@H](CO)[NH2+]Cc2nccs2)C1 ZINC001369379203 896246199 /nfs/dbraw/zinc/24/61/99/896246199.db2.gz DAPCGAPPYXIVQQ-WDEREUQCSA-N 2 2 298.412 -0.339 20 0 CBADLP C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)[NH2+]Cc2nccs2)C1 ZINC001369379203 896246210 /nfs/dbraw/zinc/24/62/10/896246210.db2.gz DAPCGAPPYXIVQQ-WDEREUQCSA-N 2 2 298.412 -0.339 20 0 CBADLP CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@H]1C ZINC001369401312 896258348 /nfs/dbraw/zinc/25/83/48/896258348.db2.gz IQCPYPSLRABMDX-NWDGAFQWSA-N 2 2 293.371 -0.402 20 0 CBADLP CN(C[C@@H](O)C[N@H+](C)CCO)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001369506801 896302422 /nfs/dbraw/zinc/30/24/22/896302422.db2.gz KJKCIEMVRRONSG-QJPTWQEYSA-N 2 2 296.371 -0.743 20 0 CBADLP CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001369506801 896302431 /nfs/dbraw/zinc/30/24/31/896302431.db2.gz KJKCIEMVRRONSG-QJPTWQEYSA-N 2 2 296.371 -0.743 20 0 CBADLP CN(C[C@@H](O)C[N@H+](C)CCO)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001369506801 896302441 /nfs/dbraw/zinc/30/24/41/896302441.db2.gz KJKCIEMVRRONSG-QJPTWQEYSA-N 2 2 296.371 -0.743 20 0 CBADLP CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001369506801 896302450 /nfs/dbraw/zinc/30/24/50/896302450.db2.gz KJKCIEMVRRONSG-QJPTWQEYSA-N 2 2 296.371 -0.743 20 0 CBADLP C[C@H](O)C[N@H+](C)C[C@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001369515272 896305200 /nfs/dbraw/zinc/30/52/00/896305200.db2.gz DRQUOUKKVMWUON-JQWIXIFHSA-N 2 2 284.360 -0.916 20 0 CBADLP C[C@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001369515272 896305217 /nfs/dbraw/zinc/30/52/17/896305217.db2.gz DRQUOUKKVMWUON-JQWIXIFHSA-N 2 2 284.360 -0.916 20 0 CBADLP C[C@H](O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001369515269 896306571 /nfs/dbraw/zinc/30/65/71/896306571.db2.gz DRQUOUKKVMWUON-CMPLNLGQSA-N 2 2 284.360 -0.916 20 0 CBADLP C[C@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001369515269 896306582 /nfs/dbraw/zinc/30/65/82/896306582.db2.gz DRQUOUKKVMWUON-CMPLNLGQSA-N 2 2 284.360 -0.916 20 0 CBADLP C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H](C)NC(=O)CC[NH+](C)C ZINC001369727639 896335267 /nfs/dbraw/zinc/33/52/67/896335267.db2.gz UWCXQZNQSCNDSX-WDEREUQCSA-N 2 2 295.387 -0.087 20 0 CBADLP CC[C@@H](C(=O)N[C@H]1CCC[N@H+](CC(=O)NC)C1)[NH+](C)C ZINC001369842576 896349316 /nfs/dbraw/zinc/34/93/16/896349316.db2.gz BJEYBQPFBLTWNF-RYUDHWBXSA-N 2 2 284.404 -0.347 20 0 CBADLP CC[C@@H](C(=O)N[C@H]1CCC[N@@H+](CC(=O)NC)C1)[NH+](C)C ZINC001369842576 896349332 /nfs/dbraw/zinc/34/93/32/896349332.db2.gz BJEYBQPFBLTWNF-RYUDHWBXSA-N 2 2 284.404 -0.347 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001370004785 896388470 /nfs/dbraw/zinc/38/84/70/896388470.db2.gz CZHVPBVZRSNXKB-RYUDHWBXSA-N 2 2 293.371 -0.272 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001370004785 896388486 /nfs/dbraw/zinc/38/84/86/896388486.db2.gz CZHVPBVZRSNXKB-RYUDHWBXSA-N 2 2 293.371 -0.272 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001370004782 896388592 /nfs/dbraw/zinc/38/85/92/896388592.db2.gz CZHVPBVZRSNXKB-NWDGAFQWSA-N 2 2 293.371 -0.272 20 0 CBADLP CC[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001370004782 896388610 /nfs/dbraw/zinc/38/86/10/896388610.db2.gz CZHVPBVZRSNXKB-NWDGAFQWSA-N 2 2 293.371 -0.272 20 0 CBADLP NC(=O)C[NH2+][C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC1 ZINC001370165271 896407917 /nfs/dbraw/zinc/40/79/17/896407917.db2.gz FFNSMDYTIDYMRE-MXWKQRLJSA-N 2 2 291.355 -0.517 20 0 CBADLP NC(=O)C[NH2+][C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC1 ZINC001370165271 896407922 /nfs/dbraw/zinc/40/79/22/896407922.db2.gz FFNSMDYTIDYMRE-MXWKQRLJSA-N 2 2 291.355 -0.517 20 0 CBADLP CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001370657023 896465947 /nfs/dbraw/zinc/46/59/47/896465947.db2.gz LQOHCVWWEZWZET-TXEJJXNPSA-N 2 2 293.371 -0.354 20 0 CBADLP C[C@H](NC(=O)Cn1cc[nH+]c1)[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001370969160 896526407 /nfs/dbraw/zinc/52/64/07/896526407.db2.gz GAVOXOYVJDXCEI-RYUDHWBXSA-N 2 2 293.371 -0.415 20 0 CBADLP C[C@H](NC(=O)Cn1cc[nH+]c1)[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001370969160 896526418 /nfs/dbraw/zinc/52/64/18/896526418.db2.gz GAVOXOYVJDXCEI-RYUDHWBXSA-N 2 2 293.371 -0.415 20 0 CBADLP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1nnnn1C ZINC001371235628 896581917 /nfs/dbraw/zinc/58/19/17/896581917.db2.gz JQEIHCCLXHBGKN-GHMZBOCLSA-N 2 2 295.391 -0.711 20 0 CBADLP C[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)[NH2+]Cc1nnnn1C ZINC001371235628 896581928 /nfs/dbraw/zinc/58/19/28/896581928.db2.gz JQEIHCCLXHBGKN-GHMZBOCLSA-N 2 2 295.391 -0.711 20 0 CBADLP CC(C)NC(=O)C[NH2+][C@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001371312436 896587692 /nfs/dbraw/zinc/58/76/92/896587692.db2.gz AIWXEDSWMUREPQ-GFCCVEGCSA-N 2 2 295.387 -0.108 20 0 CBADLP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CCS(C)(=O)=O ZINC001371308142 896589884 /nfs/dbraw/zinc/58/98/84/896589884.db2.gz FWPLGOWNLUMCBK-GHMZBOCLSA-N 2 2 291.417 -0.781 20 0 CBADLP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]CCS(C)(=O)=O ZINC001371308142 896589891 /nfs/dbraw/zinc/58/98/91/896589891.db2.gz FWPLGOWNLUMCBK-GHMZBOCLSA-N 2 2 291.417 -0.781 20 0 CBADLP CC[N@H+](C)CCC(=O)NC[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001371402514 896605213 /nfs/dbraw/zinc/60/52/13/896605213.db2.gz AXXBWXWTAFUNSG-JTQLQIEISA-N 2 2 298.391 -0.956 20 0 CBADLP CC[N@@H+](C)CCC(=O)NC[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001371402514 896605226 /nfs/dbraw/zinc/60/52/26/896605226.db2.gz AXXBWXWTAFUNSG-JTQLQIEISA-N 2 2 298.391 -0.956 20 0 CBADLP CC[N@H+](C)CCC(=O)NC[C@@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001371402518 896607264 /nfs/dbraw/zinc/60/72/64/896607264.db2.gz AXXBWXWTAFUNSG-SNVBAGLBSA-N 2 2 298.391 -0.956 20 0 CBADLP CC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001371402518 896607273 /nfs/dbraw/zinc/60/72/73/896607273.db2.gz AXXBWXWTAFUNSG-SNVBAGLBSA-N 2 2 298.391 -0.956 20 0 CBADLP CN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001371510209 896626145 /nfs/dbraw/zinc/62/61/45/896626145.db2.gz KHUWIULCEBVBGX-LBPRGKRZSA-N 2 2 293.371 -0.379 20 0 CBADLP CN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001371510209 896626150 /nfs/dbraw/zinc/62/61/50/896626150.db2.gz KHUWIULCEBVBGX-LBPRGKRZSA-N 2 2 293.371 -0.379 20 0 CBADLP CCNC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001371545161 896633576 /nfs/dbraw/zinc/63/35/76/896633576.db2.gz PAXLTRNRIHZBNH-JTQLQIEISA-N 2 2 279.344 -0.721 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001371618829 896644654 /nfs/dbraw/zinc/64/46/54/896644654.db2.gz PXICFKRIRHYTBK-JTQLQIEISA-N 2 2 279.344 -0.864 20 0 CBADLP CC[C@@H]([NH2+]C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1)C(N)=O ZINC001371615357 896645065 /nfs/dbraw/zinc/64/50/65/896645065.db2.gz LBMGNDIQBUNDMJ-WDEREUQCSA-N 2 2 293.371 -0.346 20 0 CBADLP C[C@@H](CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1)[NH2+]CC(N)=O ZINC001371784163 896662079 /nfs/dbraw/zinc/66/20/79/896662079.db2.gz VLHQRHUZVQOVAN-WDEREUQCSA-N 2 2 293.371 -0.585 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@H](C)CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001371883464 896674176 /nfs/dbraw/zinc/67/41/76/896674176.db2.gz RKIHCFIBXPVIPZ-MWLCHTKSSA-N 2 2 295.387 -0.120 20 0 CBADLP C[NH+](C)Cc1ccc(C(=O)NCC[N@H+](C)CC(N)=O)cc1 ZINC001372155003 896737448 /nfs/dbraw/zinc/73/74/48/896737448.db2.gz FZZYMKPCLHCIMH-UHFFFAOYSA-N 2 2 292.383 -0.105 20 0 CBADLP C[NH+](C)Cc1ccc(C(=O)NCC[N@@H+](C)CC(N)=O)cc1 ZINC001372155003 896737460 /nfs/dbraw/zinc/73/74/60/896737460.db2.gz FZZYMKPCLHCIMH-UHFFFAOYSA-N 2 2 292.383 -0.105 20 0 CBADLP CC[N@H+](C)CCC(=O)NCC[NH+](C)CC(=O)N1CCC1 ZINC001372178403 896738589 /nfs/dbraw/zinc/73/85/89/896738589.db2.gz LLDIVVNGOPKBJH-UHFFFAOYSA-N 2 2 284.404 -0.392 20 0 CBADLP CC[N@@H+](C)CCC(=O)NCC[NH+](C)CC(=O)N1CCC1 ZINC001372178403 896738597 /nfs/dbraw/zinc/73/85/97/896738597.db2.gz LLDIVVNGOPKBJH-UHFFFAOYSA-N 2 2 284.404 -0.392 20 0 CBADLP CC[NH+](C)CCC(=O)NCC[N@H+](C)CC(=O)N1CCC1 ZINC001372178403 896738606 /nfs/dbraw/zinc/73/86/06/896738606.db2.gz LLDIVVNGOPKBJH-UHFFFAOYSA-N 2 2 284.404 -0.392 20 0 CBADLP CC[NH+](C)CCC(=O)NCC[N@@H+](C)CC(=O)N1CCC1 ZINC001372178403 896738612 /nfs/dbraw/zinc/73/86/12/896738612.db2.gz LLDIVVNGOPKBJH-UHFFFAOYSA-N 2 2 284.404 -0.392 20 0 CBADLP CC[N@H+](CCNC(=O)CCn1cc[nH+]c1)[C@@H](C)C(N)=O ZINC001372392392 896783696 /nfs/dbraw/zinc/78/36/96/896783696.db2.gz VDIZYBYBYFEMFJ-NSHDSACASA-N 2 2 281.360 -0.415 20 0 CBADLP CC[N@@H+](CCNC(=O)CCn1cc[nH+]c1)[C@@H](C)C(N)=O ZINC001372392392 896783700 /nfs/dbraw/zinc/78/37/00/896783700.db2.gz VDIZYBYBYFEMFJ-NSHDSACASA-N 2 2 281.360 -0.415 20 0 CBADLP CC[N@H+](CCNC(=O)Cn1cc[nH+]c1C(C)C)CC(N)=O ZINC001372424120 896783812 /nfs/dbraw/zinc/78/38/12/896783812.db2.gz FOUOGGQARMBEAP-UHFFFAOYSA-N 2 2 295.387 -0.070 20 0 CBADLP CC[N@@H+](CCNC(=O)Cn1cc[nH+]c1C(C)C)CC(N)=O ZINC001372424120 896783817 /nfs/dbraw/zinc/78/38/17/896783817.db2.gz FOUOGGQARMBEAP-UHFFFAOYSA-N 2 2 295.387 -0.070 20 0 CBADLP CC[N@H+](CCNC(=O)CCn1cc[nH+]c1)[C@H](C)C(N)=O ZINC001372392386 896783839 /nfs/dbraw/zinc/78/38/39/896783839.db2.gz VDIZYBYBYFEMFJ-LLVKDONJSA-N 2 2 281.360 -0.415 20 0 CBADLP CC[N@@H+](CCNC(=O)CCn1cc[nH+]c1)[C@H](C)C(N)=O ZINC001372392386 896783843 /nfs/dbraw/zinc/78/38/43/896783843.db2.gz VDIZYBYBYFEMFJ-LLVKDONJSA-N 2 2 281.360 -0.415 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001372648289 896829208 /nfs/dbraw/zinc/82/92/08/896829208.db2.gz KCTCPSUMHRITPZ-GHMZBOCLSA-N 2 2 293.371 -0.475 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001372648289 896829223 /nfs/dbraw/zinc/82/92/23/896829223.db2.gz KCTCPSUMHRITPZ-GHMZBOCLSA-N 2 2 293.371 -0.475 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001372648297 896831587 /nfs/dbraw/zinc/83/15/87/896831587.db2.gz KCTCPSUMHRITPZ-MNOVXSKESA-N 2 2 293.371 -0.475 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001372648297 896831601 /nfs/dbraw/zinc/83/16/01/896831601.db2.gz KCTCPSUMHRITPZ-MNOVXSKESA-N 2 2 293.371 -0.475 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001372935461 896907333 /nfs/dbraw/zinc/90/73/33/896907333.db2.gz DJJAVDZDQIQVKL-SNVBAGLBSA-N 2 2 281.360 -0.475 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001372935461 896907346 /nfs/dbraw/zinc/90/73/46/896907346.db2.gz DJJAVDZDQIQVKL-SNVBAGLBSA-N 2 2 281.360 -0.475 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H](C[N@H+](C)CC(N)=O)C1 ZINC001373302630 896969104 /nfs/dbraw/zinc/96/91/04/896969104.db2.gz MFOMFEAMNCLGOA-LLVKDONJSA-N 2 2 293.371 -0.772 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H](C[N@@H+](C)CC(N)=O)C1 ZINC001373302630 896969115 /nfs/dbraw/zinc/96/91/15/896969115.db2.gz MFOMFEAMNCLGOA-LLVKDONJSA-N 2 2 293.371 -0.772 20 0 CBADLP CN(CCNC(=O)[C@H]1CCC[N@@H+]1C)C(=O)Cc1c[nH+]c[nH]1 ZINC001373378299 896990728 /nfs/dbraw/zinc/99/07/28/896990728.db2.gz HNAKTFAQQRGSSK-GFCCVEGCSA-N 2 2 293.371 -0.379 20 0 CBADLP CN(CCNC(=O)[C@H]1CCC[N@H+]1C)C(=O)Cc1c[nH+]c[nH]1 ZINC001373378299 896990738 /nfs/dbraw/zinc/99/07/38/896990738.db2.gz HNAKTFAQQRGSSK-GFCCVEGCSA-N 2 2 293.371 -0.379 20 0 CBADLP CCC[N@H+](C)CC(=O)NCC1C[NH+](CC(=O)NC2CC2)C1 ZINC001373547785 897047560 /nfs/dbraw/zinc/04/75/60/897047560.db2.gz YEXSHAKAELBTFN-UHFFFAOYSA-N 2 2 296.415 -0.345 20 0 CBADLP CCC[N@@H+](C)CC(=O)NCC1C[NH+](CC(=O)NC2CC2)C1 ZINC001373547785 897047567 /nfs/dbraw/zinc/04/75/67/897047567.db2.gz YEXSHAKAELBTFN-UHFFFAOYSA-N 2 2 296.415 -0.345 20 0 CBADLP CC(C)[C@@H](C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1)[NH+](C)C ZINC001373633619 897086191 /nfs/dbraw/zinc/08/61/91/897086191.db2.gz TZFCFYKJPDPOKG-PWSUYJOCSA-N 2 2 270.377 -0.752 20 0 CBADLP CC(C)[C@@H](C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1)[NH+](C)C ZINC001373633619 897086202 /nfs/dbraw/zinc/08/62/02/897086202.db2.gz TZFCFYKJPDPOKG-PWSUYJOCSA-N 2 2 270.377 -0.752 20 0 CBADLP CN(C(=O)C1(C[NH+](C)C)CC1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001373678912 897095672 /nfs/dbraw/zinc/09/56/72/897095672.db2.gz GWEDKSQMMADOCN-LLVKDONJSA-N 2 2 282.388 -0.654 20 0 CBADLP CN(C(=O)C1(C[NH+](C)C)CC1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001373678912 897095683 /nfs/dbraw/zinc/09/56/83/897095683.db2.gz GWEDKSQMMADOCN-LLVKDONJSA-N 2 2 282.388 -0.654 20 0 CBADLP CC[C@@H](CNC(=O)Cc1[nH]c[nH+]c1C)[NH2+]CC(=O)N(C)C ZINC001373822000 897130477 /nfs/dbraw/zinc/13/04/77/897130477.db2.gz KQMXWEKOAGMLQU-NSHDSACASA-N 2 2 295.387 -0.167 20 0 CBADLP C[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)C[NH2+][C@H]1CCNC1=O ZINC001374032933 897158620 /nfs/dbraw/zinc/15/86/20/897158620.db2.gz VCIVJSMCYPFGJB-PWSUYJOCSA-N 2 2 293.371 -0.427 20 0 CBADLP C[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)C[NH2+][C@H]1CCNC1=O ZINC001374032933 897158626 /nfs/dbraw/zinc/15/86/26/897158626.db2.gz VCIVJSMCYPFGJB-PWSUYJOCSA-N 2 2 293.371 -0.427 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C[NH2+]CC(N)=O ZINC001374071126 897164254 /nfs/dbraw/zinc/16/42/54/897164254.db2.gz KFTHZNOPGPPJAY-GMTAPVOTSA-N 2 2 293.371 -0.649 20 0 CBADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+][C@@H]1CCNC1=O ZINC001374113079 897172575 /nfs/dbraw/zinc/17/25/75/897172575.db2.gz ISFPPBQBXCYMKI-WDEREUQCSA-N 2 2 279.344 -0.887 20 0 CBADLP C[C@H](C[NH2+][C@@H]1CCNC1=O)N(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001374233835 897194162 /nfs/dbraw/zinc/19/41/62/897194162.db2.gz PHFHRPMTXGRNLM-ZYHUDNBSSA-N 2 2 293.371 -0.333 20 0 CBADLP C[C@H](C[NH2+][C@@H]1CCNC1=O)N(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001374233835 897194167 /nfs/dbraw/zinc/19/41/67/897194167.db2.gz PHFHRPMTXGRNLM-ZYHUDNBSSA-N 2 2 293.371 -0.333 20 0 CBADLP Cc1cn(C(C)(C)C(=O)N(C)[C@H](C)C[NH2+]CC(N)=O)c[nH+]1 ZINC001374250475 897196740 /nfs/dbraw/zinc/19/67/40/897196740.db2.gz LQKLGJXZSUQKDG-LLVKDONJSA-N 2 2 295.387 -0.152 20 0 CBADLP COC[C@H](O)C[NH2+]C[C@H](C)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001374306995 897212109 /nfs/dbraw/zinc/21/21/09/897212109.db2.gz YKFGAYVYZQWJQN-WDEREUQCSA-N 2 2 284.360 -0.604 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)Cc1c[nH+]cn1C ZINC001374310996 897212690 /nfs/dbraw/zinc/21/26/90/897212690.db2.gz FXXIHEUEDYZTHR-WDEREUQCSA-N 2 2 295.387 -0.466 20 0 CBADLP C[C@H](C(N)=O)[N@H+](C)CCN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001374506079 897240917 /nfs/dbraw/zinc/24/09/17/897240917.db2.gz RWRJJHJIHUOPDP-NEPJUHHUSA-N 2 2 284.404 -0.265 20 0 CBADLP C[C@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001374506079 897240933 /nfs/dbraw/zinc/24/09/33/897240933.db2.gz RWRJJHJIHUOPDP-NEPJUHHUSA-N 2 2 284.404 -0.265 20 0 CBADLP C[C@H](C(N)=O)[NH+](C)CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001374506079 897240946 /nfs/dbraw/zinc/24/09/46/897240946.db2.gz RWRJJHJIHUOPDP-NEPJUHHUSA-N 2 2 284.404 -0.265 20 0 CBADLP C[C@H](C(N)=O)[NH+](C)CCN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001374506079 897240963 /nfs/dbraw/zinc/24/09/63/897240963.db2.gz RWRJJHJIHUOPDP-NEPJUHHUSA-N 2 2 284.404 -0.265 20 0 CBADLP COC[C@H](O)C[N@H+](C)CCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001374539942 897254510 /nfs/dbraw/zinc/25/45/10/897254510.db2.gz VJMNLWIEPMJKRK-GFCCVEGCSA-N 2 2 284.360 -0.650 20 0 CBADLP COC[C@H](O)C[N@@H+](C)CCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001374539942 897254520 /nfs/dbraw/zinc/25/45/20/897254520.db2.gz VJMNLWIEPMJKRK-GFCCVEGCSA-N 2 2 284.360 -0.650 20 0 CBADLP CN(CC[N@H+](C)CCn1cncn1)C(=O)Cn1cc[nH+]c1 ZINC001374559624 897258803 /nfs/dbraw/zinc/25/88/03/897258803.db2.gz LPILXFXWWJPYHW-UHFFFAOYSA-N 2 2 291.359 -0.435 20 0 CBADLP CN(CC[N@@H+](C)CCn1cncn1)C(=O)Cn1cc[nH+]c1 ZINC001374559624 897258818 /nfs/dbraw/zinc/25/88/18/897258818.db2.gz LPILXFXWWJPYHW-UHFFFAOYSA-N 2 2 291.359 -0.435 20 0 CBADLP CC[N@H+]1CCCC[C@H]1C(=O)N(C)CC[NH+](C)CC(N)=O ZINC001374557803 897260719 /nfs/dbraw/zinc/26/07/19/897260719.db2.gz QBIKZAAORKZOSL-LBPRGKRZSA-N 2 2 284.404 -0.264 20 0 CBADLP CC[NH+]1CCCC[C@H]1C(=O)N(C)CC[N@H+](C)CC(N)=O ZINC001374557803 897260728 /nfs/dbraw/zinc/26/07/28/897260728.db2.gz QBIKZAAORKZOSL-LBPRGKRZSA-N 2 2 284.404 -0.264 20 0 CBADLP CC[NH+]1CCCC[C@H]1C(=O)N(C)CC[N@@H+](C)CC(N)=O ZINC001374557803 897260735 /nfs/dbraw/zinc/26/07/35/897260735.db2.gz QBIKZAAORKZOSL-LBPRGKRZSA-N 2 2 284.404 -0.264 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H](O)C[NH2+]C[C@H]1CCCCO1 ZINC001374656748 897327692 /nfs/dbraw/zinc/32/76/92/897327692.db2.gz HYNYIKIUEACQNK-VXGBXAGGSA-N 2 2 296.371 -0.412 20 0 CBADLP COC[C@H](O)C[NH2+]C[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001374814644 897399041 /nfs/dbraw/zinc/39/90/41/897399041.db2.gz AZHYFFBIPOTVPM-MWLCHTKSSA-N 2 2 270.333 -0.946 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001374919519 897429390 /nfs/dbraw/zinc/42/93/90/897429390.db2.gz RQPXMGAJOJKTED-QWRGUYRKSA-N 2 2 295.387 -0.419 20 0 CBADLP CNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001374946376 897439440 /nfs/dbraw/zinc/43/94/40/897439440.db2.gz NKXXBARVFMUHSA-UWVGGRQHSA-N 2 2 281.360 -0.571 20 0 CBADLP CNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001374946376 897439449 /nfs/dbraw/zinc/43/94/49/897439449.db2.gz NKXXBARVFMUHSA-UWVGGRQHSA-N 2 2 281.360 -0.571 20 0 CBADLP C[C@H](C[N@H+](C)Cc1cnnn1C)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001375153019 897489312 /nfs/dbraw/zinc/48/93/12/897489312.db2.gz BOBXIMJKLJOGRN-VXGBXAGGSA-N 2 2 294.403 -0.297 20 0 CBADLP C[C@H](C[N@@H+](C)Cc1cnnn1C)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001375153019 897489322 /nfs/dbraw/zinc/48/93/22/897489322.db2.gz BOBXIMJKLJOGRN-VXGBXAGGSA-N 2 2 294.403 -0.297 20 0 CBADLP C[C@H](C[NH+](C)Cc1cnnn1C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001375153019 897489332 /nfs/dbraw/zinc/48/93/32/897489332.db2.gz BOBXIMJKLJOGRN-VXGBXAGGSA-N 2 2 294.403 -0.297 20 0 CBADLP C[C@H](C[NH+](C)Cc1cnnn1C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001375153019 897489344 /nfs/dbraw/zinc/48/93/44/897489344.db2.gz BOBXIMJKLJOGRN-VXGBXAGGSA-N 2 2 294.403 -0.297 20 0 CBADLP CC[C@H](C(=O)NC[C@H]1CC[N@@H+]1CC(=O)N(C)CC)[NH+](C)C ZINC001375361923 897524602 /nfs/dbraw/zinc/52/46/02/897524602.db2.gz IBAVHPSQJSOYRE-CHWSQXEVSA-N 2 2 298.431 -0.005 20 0 CBADLP CC[C@H](C(=O)NC[C@H]1CC[N@H+]1CC(=O)N(C)CC)[NH+](C)C ZINC001375361923 897524613 /nfs/dbraw/zinc/52/46/13/897524613.db2.gz IBAVHPSQJSOYRE-CHWSQXEVSA-N 2 2 298.431 -0.005 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001375378847 897530173 /nfs/dbraw/zinc/53/01/73/897530173.db2.gz UIEOESNQAADPLY-OLZOCXBDSA-N 2 2 296.415 -0.073 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001375378847 897530177 /nfs/dbraw/zinc/53/01/77/897530177.db2.gz UIEOESNQAADPLY-OLZOCXBDSA-N 2 2 296.415 -0.073 20 0 CBADLP Cn1cnnc1C[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001375404262 897538504 /nfs/dbraw/zinc/53/85/04/897538504.db2.gz QBWXRGMRHOGDTH-LLVKDONJSA-N 2 2 292.387 -0.352 20 0 CBADLP Cn1cnnc1C[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001375404262 897538514 /nfs/dbraw/zinc/53/85/14/897538514.db2.gz QBWXRGMRHOGDTH-LLVKDONJSA-N 2 2 292.387 -0.352 20 0 CBADLP Cn1cnnc1C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001375404266 897540549 /nfs/dbraw/zinc/54/05/49/897540549.db2.gz QBWXRGMRHOGDTH-NSHDSACASA-N 2 2 292.387 -0.352 20 0 CBADLP Cn1cnnc1C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001375404266 897540562 /nfs/dbraw/zinc/54/05/62/897540562.db2.gz QBWXRGMRHOGDTH-NSHDSACASA-N 2 2 292.387 -0.352 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CC[C@@H]1CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001375459841 897548414 /nfs/dbraw/zinc/54/84/14/897548414.db2.gz RGIJOFZBCFUMBC-VXGBXAGGSA-N 2 2 296.415 -0.265 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CC[C@@H]1CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001375459841 897548423 /nfs/dbraw/zinc/54/84/23/897548423.db2.gz RGIJOFZBCFUMBC-VXGBXAGGSA-N 2 2 296.415 -0.265 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CC[C@H]1CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001375459837 897549464 /nfs/dbraw/zinc/54/94/64/897549464.db2.gz RGIJOFZBCFUMBC-NEPJUHHUSA-N 2 2 296.415 -0.265 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CC[C@H]1CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001375459837 897549478 /nfs/dbraw/zinc/54/94/78/897549478.db2.gz RGIJOFZBCFUMBC-NEPJUHHUSA-N 2 2 296.415 -0.265 20 0 CBADLP C[C@H](CC(=O)NCC1([NH2+][C@@H](C)C(N)=O)CC1)n1cc[nH+]c1 ZINC001375490293 897557432 /nfs/dbraw/zinc/55/74/32/897557432.db2.gz MNQLNWTYGMERHP-MNOVXSKESA-N 2 2 293.371 -0.054 20 0 CBADLP C[C@H]([NH2+][C@H]1C[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1)C(N)=O ZINC001375548731 897563095 /nfs/dbraw/zinc/56/30/95/897563095.db2.gz PGSLHECZYJYJFJ-GUBZILKMSA-N 2 2 279.344 -0.690 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]Cc2ncnn2C)CC1 ZINC001375550419 897564091 /nfs/dbraw/zinc/56/40/91/897564091.db2.gz AJEOSMKHNFOOEP-UHFFFAOYSA-N 2 2 294.403 -0.106 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NCC1([NH2+]Cc2ncnn2C)CC1 ZINC001375550419 897564106 /nfs/dbraw/zinc/56/41/06/897564106.db2.gz AJEOSMKHNFOOEP-UHFFFAOYSA-N 2 2 294.403 -0.106 20 0 CBADLP C[C@H]([NH2+][C@@H]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)C1)C(N)=O ZINC001375589158 897570692 /nfs/dbraw/zinc/57/06/92/897570692.db2.gz HOVPOBWCILWQOW-SDDRHHMPSA-N 2 2 293.371 -0.369 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC[C@H]1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC001375575635 897570822 /nfs/dbraw/zinc/57/08/22/897570822.db2.gz IDYAWFPQWPWAFA-WDEREUQCSA-N 2 2 293.371 -0.678 20 0 CBADLP C[C@@H](O)C[NH+]1CC(N(C)C(=O)CC[NH+]2CCOCC2)C1 ZINC001375715699 897596236 /nfs/dbraw/zinc/59/62/36/897596236.db2.gz LCDKKHKMKHZRKI-GFCCVEGCSA-N 2 2 285.388 -0.768 20 0 CBADLP CC(C)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001376120769 897659634 /nfs/dbraw/zinc/65/96/34/897659634.db2.gz UFQHDUVXHWNAOV-CHWSQXEVSA-N 2 2 296.415 -0.204 20 0 CBADLP CC(C)NC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001376120769 897659640 /nfs/dbraw/zinc/65/96/40/897659640.db2.gz UFQHDUVXHWNAOV-CHWSQXEVSA-N 2 2 296.415 -0.204 20 0 CBADLP CC(C)NC(=O)C[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001376120769 897659645 /nfs/dbraw/zinc/65/96/45/897659645.db2.gz UFQHDUVXHWNAOV-CHWSQXEVSA-N 2 2 296.415 -0.204 20 0 CBADLP CC(C)NC(=O)C[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001376120769 897659656 /nfs/dbraw/zinc/65/96/56/897659656.db2.gz UFQHDUVXHWNAOV-CHWSQXEVSA-N 2 2 296.415 -0.204 20 0 CBADLP CC(C)CNC(=O)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001376154535 897676490 /nfs/dbraw/zinc/67/64/90/897676490.db2.gz QVKJHRSXJYKCAO-ZDUSSCGKSA-N 2 2 298.431 -0.099 20 0 CBADLP CC(C)CNC(=O)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001376154535 897676504 /nfs/dbraw/zinc/67/65/04/897676504.db2.gz QVKJHRSXJYKCAO-ZDUSSCGKSA-N 2 2 298.431 -0.099 20 0 CBADLP CCCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001376155949 897676673 /nfs/dbraw/zinc/67/66/73/897676673.db2.gz QYJDJZDGGFNXLU-CHWSQXEVSA-N 2 2 296.415 -0.345 20 0 CBADLP CCCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001376155949 897676683 /nfs/dbraw/zinc/67/66/83/897676683.db2.gz QYJDJZDGGFNXLU-CHWSQXEVSA-N 2 2 296.415 -0.345 20 0 CBADLP CCCNC(=O)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001376155949 897676691 /nfs/dbraw/zinc/67/66/91/897676691.db2.gz QYJDJZDGGFNXLU-CHWSQXEVSA-N 2 2 296.415 -0.345 20 0 CBADLP CCCNC(=O)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001376155949 897676701 /nfs/dbraw/zinc/67/67/01/897676701.db2.gz QYJDJZDGGFNXLU-CHWSQXEVSA-N 2 2 296.415 -0.345 20 0 CBADLP COC[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001376167662 897678907 /nfs/dbraw/zinc/67/89/07/897678907.db2.gz CVGBIDUEDSAFNN-RYUDHWBXSA-N 2 2 282.344 -0.919 20 0 CBADLP COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001376167662 897678915 /nfs/dbraw/zinc/67/89/15/897678915.db2.gz CVGBIDUEDSAFNN-RYUDHWBXSA-N 2 2 282.344 -0.919 20 0 CBADLP O=C(NCC1(O)C[NH+](CCCF)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001376168183 897679006 /nfs/dbraw/zinc/67/90/06/897679006.db2.gz GVQVWDKEDRNEFE-ZDUSSCGKSA-N 2 2 299.390 -0.149 20 0 CBADLP O=C(NC[C@H]([NH2+]CCO)C1CC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001376214826 897689706 /nfs/dbraw/zinc/68/97/06/897689706.db2.gz IQQZADTWWPCKHB-OCCSQVGLSA-N 2 2 292.383 -0.078 20 0 CBADLP CNC(=O)C[NH2+][C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001376244640 897698079 /nfs/dbraw/zinc/69/80/79/897698079.db2.gz KVHQHXKCWXFJAU-NSHDSACASA-N 2 2 279.344 -0.817 20 0 CBADLP C[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001376416711 897730515 /nfs/dbraw/zinc/73/05/15/897730515.db2.gz WUXMDLUBQMILRI-SRVKXCTJSA-N 2 2 280.372 -0.030 20 0 CBADLP CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001376466394 897746974 /nfs/dbraw/zinc/74/69/74/897746974.db2.gz VXERAIDCZJYJCU-TXEJJXNPSA-N 2 2 293.371 -0.285 20 0 CBADLP CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001376466394 897746981 /nfs/dbraw/zinc/74/69/81/897746981.db2.gz VXERAIDCZJYJCU-TXEJJXNPSA-N 2 2 293.371 -0.285 20 0 CBADLP CNC(=O)C[NH2+][C@@H](C)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001376744957 897831803 /nfs/dbraw/zinc/83/18/03/897831803.db2.gz FVPHXCQKGVPQNN-JTQLQIEISA-N 2 2 295.387 -0.233 20 0 CBADLP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1cn(C)nn1 ZINC001376768776 897840055 /nfs/dbraw/zinc/84/00/55/897840055.db2.gz XXBZFTPSRJHJKG-DGCLKSJQSA-N 2 2 294.403 -0.106 20 0 CBADLP C[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)[NH2+]Cc1cn(C)nn1 ZINC001376768776 897840062 /nfs/dbraw/zinc/84/00/62/897840062.db2.gz XXBZFTPSRJHJKG-DGCLKSJQSA-N 2 2 294.403 -0.106 20 0 CBADLP C[C@H](O)C[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CCO1 ZINC001376843447 897868459 /nfs/dbraw/zinc/86/84/59/897868459.db2.gz DYVWLLRORKSYFG-AAEUAGOBSA-N 2 2 296.371 -0.840 20 0 CBADLP CCN(CC)C(=O)C[NH2+][C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001376889015 897884549 /nfs/dbraw/zinc/88/45/49/897884549.db2.gz SWPQJNQPVIAFAQ-LBPRGKRZSA-N 2 2 295.387 -0.154 20 0 CBADLP CNC(=O)C[NH2+][C@H](C)CCNC(=O)CCc1[nH+]ccn1C ZINC001377055228 897920882 /nfs/dbraw/zinc/92/08/82/897920882.db2.gz FNZDQNPWHLHIGX-LLVKDONJSA-N 2 2 295.387 -0.417 20 0 CBADLP COC[C@H](C)[NH+]1CC2(C1)C[C@@H](NC(=O)CC[NH+](C)C)CO2 ZINC001377070335 897924113 /nfs/dbraw/zinc/92/41/13/897924113.db2.gz AOQMQIIMGUIMLC-QWHCGFSZSA-N 2 2 299.415 -0.068 20 0 CBADLP COC[C@@H](C)[NH+]1CC2(C1)C[C@H](NC(=O)CC[NH+](C)C)CO2 ZINC001377070334 897924626 /nfs/dbraw/zinc/92/46/26/897924626.db2.gz AOQMQIIMGUIMLC-OLZOCXBDSA-N 2 2 299.415 -0.068 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCC[N@@H+](C)CCn1cncn1 ZINC001377251530 897984758 /nfs/dbraw/zinc/98/47/58/897984758.db2.gz WOOFXGHDMMJYKV-UHFFFAOYSA-N 2 2 291.359 -0.400 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCC[N@H+](C)CCn1cncn1 ZINC001377251530 897984767 /nfs/dbraw/zinc/98/47/67/897984767.db2.gz WOOFXGHDMMJYKV-UHFFFAOYSA-N 2 2 291.359 -0.400 20 0 CBADLP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH+](C)CC(=O)NC ZINC001377271116 897993266 /nfs/dbraw/zinc/99/32/66/897993266.db2.gz IOTZLSJTPLVJMY-LBPRGKRZSA-N 2 2 284.404 -0.345 20 0 CBADLP CC[N@H+]1CCCC[C@H]1C(=O)NCC[NH+](C)CC(=O)NC ZINC001377271116 897993274 /nfs/dbraw/zinc/99/32/74/897993274.db2.gz IOTZLSJTPLVJMY-LBPRGKRZSA-N 2 2 284.404 -0.345 20 0 CBADLP CC[NH+]1CCCC[C@H]1C(=O)NCC[N@H+](C)CC(=O)NC ZINC001377271116 897993281 /nfs/dbraw/zinc/99/32/81/897993281.db2.gz IOTZLSJTPLVJMY-LBPRGKRZSA-N 2 2 284.404 -0.345 20 0 CBADLP CC[NH+]1CCCC[C@H]1C(=O)NCC[N@@H+](C)CC(=O)NC ZINC001377271116 897993288 /nfs/dbraw/zinc/99/32/88/897993288.db2.gz IOTZLSJTPLVJMY-LBPRGKRZSA-N 2 2 284.404 -0.345 20 0 CBADLP C[N@H+](CCNC(=O)CCC[NH+]1CCCCC1)CC(N)=O ZINC001377267223 897993597 /nfs/dbraw/zinc/99/35/97/897993597.db2.gz PTOGALUMJHEKDG-UHFFFAOYSA-N 2 2 284.404 -0.214 20 0 CBADLP C[N@@H+](CCNC(=O)CCC[NH+]1CCCCC1)CC(N)=O ZINC001377267223 897993602 /nfs/dbraw/zinc/99/36/02/897993602.db2.gz PTOGALUMJHEKDG-UHFFFAOYSA-N 2 2 284.404 -0.214 20 0 CBADLP CC[N@H+](CCNC(=O)Cn1c[nH+]cc1C)[C@H]1CCNC1=O ZINC001377326687 898011931 /nfs/dbraw/zinc/01/19/31/898011931.db2.gz BEFCKZBRFJHLEG-LBPRGKRZSA-N 2 2 293.371 -0.482 20 0 CBADLP CC[N@@H+](CCNC(=O)Cn1c[nH+]cc1C)[C@H]1CCNC1=O ZINC001377326687 898011948 /nfs/dbraw/zinc/01/19/48/898011948.db2.gz BEFCKZBRFJHLEG-LBPRGKRZSA-N 2 2 293.371 -0.482 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001377449023 898054297 /nfs/dbraw/zinc/05/42/97/898054297.db2.gz UPEJANVGLIEWRA-NWDGAFQWSA-N 2 2 293.371 -0.415 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CC[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001377449023 898054308 /nfs/dbraw/zinc/05/43/08/898054308.db2.gz UPEJANVGLIEWRA-NWDGAFQWSA-N 2 2 293.371 -0.415 20 0 CBADLP CC[C@H](C(=O)N[C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1)[NH+](C)C ZINC001377750109 898128751 /nfs/dbraw/zinc/12/87/51/898128751.db2.gz TWFBOJVSXWGORE-WDEREUQCSA-N 2 2 295.387 -0.087 20 0 CBADLP CCCNC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001377901275 898166685 /nfs/dbraw/zinc/16/66/85/898166685.db2.gz JAHLSLVLWHAAJX-NWDGAFQWSA-N 2 2 295.387 -0.108 20 0 CBADLP COC[C@H](O)C[NH+]1CC(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001377927638 898172409 /nfs/dbraw/zinc/17/24/09/898172409.db2.gz VXFZFKNXOZVVCL-SGMGOOAPSA-N 2 2 299.415 -0.476 20 0 CBADLP COC[C@H](O)C[NH+]1CC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001377927638 898172413 /nfs/dbraw/zinc/17/24/13/898172413.db2.gz VXFZFKNXOZVVCL-SGMGOOAPSA-N 2 2 299.415 -0.476 20 0 CBADLP CC[N@H+](C)CCC(=O)N[C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001378035698 898208901 /nfs/dbraw/zinc/20/89/01/898208901.db2.gz ZFYYUDGSTOYNCW-LBPRGKRZSA-N 2 2 295.387 -0.154 20 0 CBADLP CC[N@@H+](C)CCC(=O)N[C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001378035698 898208918 /nfs/dbraw/zinc/20/89/18/898208918.db2.gz ZFYYUDGSTOYNCW-LBPRGKRZSA-N 2 2 295.387 -0.154 20 0 CBADLP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CC(=O)NCC2CC2)C1 ZINC001378120832 898243685 /nfs/dbraw/zinc/24/36/85/898243685.db2.gz MMFPDKIFOILTQX-CYBMUJFWSA-N 2 2 296.415 -0.345 20 0 CBADLP C[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC2CC2)C1 ZINC001378120832 898243701 /nfs/dbraw/zinc/24/37/01/898243701.db2.gz MMFPDKIFOILTQX-CYBMUJFWSA-N 2 2 296.415 -0.345 20 0 CBADLP COC[C@@H](C)[NH+]1CC(CCO)(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001378274587 898301240 /nfs/dbraw/zinc/30/12/40/898301240.db2.gz LBJOVDCMGIIBJV-OLZOCXBDSA-N 2 2 299.415 -0.332 20 0 CBADLP COC[C@@H](C)[NH+]1CC(CCO)(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001378274587 898301253 /nfs/dbraw/zinc/30/12/53/898301253.db2.gz LBJOVDCMGIIBJV-OLZOCXBDSA-N 2 2 299.415 -0.332 20 0 CBADLP CC[C@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]CC(=O)NC ZINC001378316036 898310812 /nfs/dbraw/zinc/31/08/12/898310812.db2.gz JGOHFXCXHTYJEH-SNVBAGLBSA-N 2 2 281.360 -0.807 20 0 CBADLP C[C@H](O)C[NH+]1CC(CCO)(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001378332646 898315691 /nfs/dbraw/zinc/31/56/91/898315691.db2.gz FRHRFINEYHKGGP-LBPRGKRZSA-N 2 2 299.415 -0.738 20 0 CBADLP CC[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+][C@@H](C)C(=O)NC ZINC001378344171 898320804 /nfs/dbraw/zinc/32/08/04/898320804.db2.gz MJTQZEBYAMLUSG-WDEREUQCSA-N 2 2 281.360 -0.498 20 0 CBADLP C[C@@H]([NH2+]C[C@@H](C)CNC(=O)CCc1c[nH]c[nH+]1)C(N)=O ZINC001378569676 898357534 /nfs/dbraw/zinc/35/75/34/898357534.db2.gz UTOSILARUFRYHQ-NXEZZACHSA-N 2 2 281.360 -0.442 20 0 CBADLP C[C@@H]([NH2+]C[C@@H](C)CNC(=O)CCc1c[nH+]c[nH]1)C(N)=O ZINC001378569676 898357550 /nfs/dbraw/zinc/35/75/50/898357550.db2.gz UTOSILARUFRYHQ-NXEZZACHSA-N 2 2 281.360 -0.442 20 0 CBADLP C[C@@H](CNC(=O)CCn1cc[nH+]c1)C[NH2+][C@@H](C)C(N)=O ZINC001378594613 898362459 /nfs/dbraw/zinc/36/24/59/898362459.db2.gz PYTURDSJJGPZLM-MNOVXSKESA-N 2 2 281.360 -0.511 20 0 CBADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)C[NH2+]Cc1nncn1C ZINC001378610729 898367679 /nfs/dbraw/zinc/36/76/79/898367679.db2.gz HRTGVXAHBZJPSR-SNVBAGLBSA-N 2 2 291.359 -0.377 20 0 CBADLP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2C[NH+](CCO)CCO2)C1 ZINC001378683529 898391041 /nfs/dbraw/zinc/39/10/41/898391041.db2.gz ITQFWSOSQWRPRO-CHWSQXEVSA-N 2 2 285.388 -0.863 20 0 CBADLP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2C[NH+](CCO)CCO2)C1 ZINC001378683529 898391053 /nfs/dbraw/zinc/39/10/53/898391053.db2.gz ITQFWSOSQWRPRO-CHWSQXEVSA-N 2 2 285.388 -0.863 20 0 CBADLP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@H+](CCO)CCO2)C1 ZINC001378683529 898391065 /nfs/dbraw/zinc/39/10/65/898391065.db2.gz ITQFWSOSQWRPRO-CHWSQXEVSA-N 2 2 285.388 -0.863 20 0 CBADLP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@@H+](CCO)CCO2)C1 ZINC001378683529 898391076 /nfs/dbraw/zinc/39/10/76/898391076.db2.gz ITQFWSOSQWRPRO-CHWSQXEVSA-N 2 2 285.388 -0.863 20 0 CBADLP COC[C@H](O)C[NH2+]C[C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001378872812 898427223 /nfs/dbraw/zinc/42/72/23/898427223.db2.gz MGOZOKKAPKSFIY-NQBHXWOUSA-N 2 2 296.371 -0.556 20 0 CBADLP CNC(=O)C[N@H+](C)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001378904129 898430799 /nfs/dbraw/zinc/43/07/99/898430799.db2.gz NIOZJHXQCXXGQK-UHFFFAOYSA-N 2 2 293.371 -0.379 20 0 CBADLP CNC(=O)C[N@@H+](C)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001378904129 898430805 /nfs/dbraw/zinc/43/08/05/898430805.db2.gz NIOZJHXQCXXGQK-UHFFFAOYSA-N 2 2 293.371 -0.379 20 0 CBADLP CNC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001378894733 898431233 /nfs/dbraw/zinc/43/12/33/898431233.db2.gz GMKUHCBQDMJMPB-PWSUYJOCSA-N 2 2 293.371 -0.475 20 0 CBADLP CCNC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001379031796 898450287 /nfs/dbraw/zinc/45/02/87/898450287.db2.gz JWJPKVARBCCQOK-LBPRGKRZSA-N 2 2 284.404 -0.393 20 0 CBADLP CCNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001379031796 898450294 /nfs/dbraw/zinc/45/02/94/898450294.db2.gz JWJPKVARBCCQOK-LBPRGKRZSA-N 2 2 284.404 -0.393 20 0 CBADLP CCNC(=O)C[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001379031796 898450304 /nfs/dbraw/zinc/45/03/04/898450304.db2.gz JWJPKVARBCCQOK-LBPRGKRZSA-N 2 2 284.404 -0.393 20 0 CBADLP CCNC(=O)C[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001379031796 898450309 /nfs/dbraw/zinc/45/03/09/898450309.db2.gz JWJPKVARBCCQOK-LBPRGKRZSA-N 2 2 284.404 -0.393 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H](O)C[NH2+]CC1CCOCC1 ZINC001379256809 898525092 /nfs/dbraw/zinc/52/50/92/898525092.db2.gz JLETVJFDAMMUMV-LBPRGKRZSA-N 2 2 296.371 -0.555 20 0 CBADLP CC[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1nnc(C)o1)[NH+](C)C ZINC001379258993 898527330 /nfs/dbraw/zinc/52/73/30/898527330.db2.gz NJXQFOKEPLOZNO-WDEREUQCSA-N 2 2 299.375 -0.715 20 0 CBADLP COC[C@H](O)C[NH2+][C@H](C)CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001379311096 898546281 /nfs/dbraw/zinc/54/62/81/898546281.db2.gz JMVMWAOSHOOVOO-ZYHUDNBSSA-N 2 2 298.387 -0.296 20 0 CBADLP CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001379328760 898550677 /nfs/dbraw/zinc/55/06/77/898550677.db2.gz RJAJKIOCXSMAPS-NSHDSACASA-N 2 2 281.360 -0.544 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)CC[NH2+][C@H](C)C(N)=O ZINC001379358247 898574276 /nfs/dbraw/zinc/57/42/76/898574276.db2.gz APMDBOGBBFVGPQ-WCBMZHEXSA-N 2 2 281.360 -0.381 20 0 CBADLP C[C@H](C[NH2+]Cc1cnnn1C)NC(=O)CCn1cc[nH+]c1 ZINC001379405164 898604661 /nfs/dbraw/zinc/60/46/61/898604661.db2.gz QLZOKHXKOJNIHV-LLVKDONJSA-N 2 2 291.359 -0.304 20 0 CBADLP CC(C)N(C)C(=O)C[NH2+]C[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001379427682 898610405 /nfs/dbraw/zinc/61/04/05/898610405.db2.gz OUYRRJQVIHWCJL-LLVKDONJSA-N 2 2 295.387 -0.087 20 0 CBADLP CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc1nnc(C)[nH]1)[NH+](C)C ZINC001379477612 898633490 /nfs/dbraw/zinc/63/34/90/898633490.db2.gz LCBIRLSNQOZFBR-QWRGUYRKSA-N 2 2 298.391 -0.980 20 0 CBADLP CCN1CC[C@@H]([NH2+]C[C@H](C)NC(=O)Cc2[nH]cc[nH+]2)C1=O ZINC001379560617 898668972 /nfs/dbraw/zinc/66/89/72/898668972.db2.gz IHTCIDSIBJUGIF-WDEREUQCSA-N 2 2 293.371 -0.333 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@@H](C)C[NH2+]Cc1ncnn1C ZINC001379598205 898676629 /nfs/dbraw/zinc/67/66/29/898676629.db2.gz JNZHNURNKBOGLT-JTQLQIEISA-N 2 2 291.359 -0.385 20 0 CBADLP C[C@@H](C[NH2+][C@@H]1CCCN(C)C1=O)NC(=O)Cn1cc[nH+]c1 ZINC001379604778 898681470 /nfs/dbraw/zinc/68/14/70/898681470.db2.gz HWIKTPSOVZGODV-NWDGAFQWSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CCC[N@@H+]1CC(N)=O ZINC001379668154 898697849 /nfs/dbraw/zinc/69/78/49/898697849.db2.gz RZQVNFJBMVIDHR-RYUDHWBXSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CCC[N@H+]1CC(N)=O ZINC001379668154 898697863 /nfs/dbraw/zinc/69/78/63/898697863.db2.gz RZQVNFJBMVIDHR-RYUDHWBXSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CCC[N@@H+]1CC(N)=O ZINC001379668133 898698266 /nfs/dbraw/zinc/69/82/66/898698266.db2.gz RZQVNFJBMVIDHR-NEPJUHHUSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CCC[N@H+]1CC(N)=O ZINC001379668133 898698275 /nfs/dbraw/zinc/69/82/75/898698275.db2.gz RZQVNFJBMVIDHR-NEPJUHHUSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@@H]1[C@H](NC(=O)C2(C[NH+](C)C)CC2)CCC[N@@H+]1CC(N)=O ZINC001379668164 898699941 /nfs/dbraw/zinc/69/99/41/898699941.db2.gz RZQVNFJBMVIDHR-VXGBXAGGSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@@H]1[C@H](NC(=O)C2(C[NH+](C)C)CC2)CCC[N@H+]1CC(N)=O ZINC001379668164 898699950 /nfs/dbraw/zinc/69/99/50/898699950.db2.gz RZQVNFJBMVIDHR-VXGBXAGGSA-N 2 2 296.415 -0.217 20 0 CBADLP CN(C[C@H](O)C[NH2+]Cc1cnon1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001379829855 898739480 /nfs/dbraw/zinc/73/94/80/898739480.db2.gz XGMPZUFTHJEGEF-VXGBXAGGSA-N 2 2 297.359 -0.927 20 0 CBADLP CN(C[C@H](O)C[NH2+]Cc1cnon1)C(=O)[C@H]1CCC[N@H+]1C ZINC001379829855 898739489 /nfs/dbraw/zinc/73/94/89/898739489.db2.gz XGMPZUFTHJEGEF-VXGBXAGGSA-N 2 2 297.359 -0.927 20 0 CBADLP COC[C@@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001380002124 898785036 /nfs/dbraw/zinc/78/50/36/898785036.db2.gz XOPTXZSKROEFLH-OLZOCXBDSA-N 2 2 296.371 -0.529 20 0 CBADLP COC[C@@H](O)C[N@H+]1CC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001380002124 898785041 /nfs/dbraw/zinc/78/50/41/898785041.db2.gz XOPTXZSKROEFLH-OLZOCXBDSA-N 2 2 296.371 -0.529 20 0 CBADLP C[N@@H+]1CC[C@H](C(=O)NCC2([NH2+]Cc3cnon3)CC2)C1 ZINC001380170289 898825272 /nfs/dbraw/zinc/82/52/72/898825272.db2.gz RAEVHBXKPUUCSS-JTQLQIEISA-N 2 2 279.344 -0.240 20 0 CBADLP C[N@H+]1CC[C@H](C(=O)NCC2([NH2+]Cc3cnon3)CC2)C1 ZINC001380170289 898825281 /nfs/dbraw/zinc/82/52/81/898825281.db2.gz RAEVHBXKPUUCSS-JTQLQIEISA-N 2 2 279.344 -0.240 20 0 CBADLP C[N@@H+]1CC[C@@H](C(=O)NCC2([NH2+]Cc3cnon3)CC2)C1 ZINC001380170297 898826353 /nfs/dbraw/zinc/82/63/53/898826353.db2.gz RAEVHBXKPUUCSS-SNVBAGLBSA-N 2 2 279.344 -0.240 20 0 CBADLP C[N@H+]1CC[C@@H](C(=O)NCC2([NH2+]Cc3cnon3)CC2)C1 ZINC001380170297 898826372 /nfs/dbraw/zinc/82/63/72/898826372.db2.gz RAEVHBXKPUUCSS-SNVBAGLBSA-N 2 2 279.344 -0.240 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NCC1([NH2+]Cc2cnn(C)n2)CC1 ZINC001380173253 898827704 /nfs/dbraw/zinc/82/77/04/898827704.db2.gz WCDXHUXWGRROAH-UHFFFAOYSA-N 2 2 294.403 -0.106 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)N[C@@]1(C)CC[N@H+](CCO)C1 ZINC001380358404 898860678 /nfs/dbraw/zinc/86/06/78/898860678.db2.gz NEMJORLZJRDDPV-AWEZNQCLSA-N 2 2 280.372 -0.074 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)N[C@@]1(C)CC[N@@H+](CCO)C1 ZINC001380358404 898860689 /nfs/dbraw/zinc/86/06/89/898860689.db2.gz NEMJORLZJRDDPV-AWEZNQCLSA-N 2 2 280.372 -0.074 20 0 CBADLP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001380599152 898915069 /nfs/dbraw/zinc/91/50/69/898915069.db2.gz AEGCFOJEPQWDOR-CYBMUJFWSA-N 2 2 299.415 -0.594 20 0 CBADLP C[N@H+]1CCC[C@@H]1CCC(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001380599152 898915077 /nfs/dbraw/zinc/91/50/77/898915077.db2.gz AEGCFOJEPQWDOR-CYBMUJFWSA-N 2 2 299.415 -0.594 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CCC2(C[NH+](CCO)C2)O1 ZINC001380996068 898984491 /nfs/dbraw/zinc/98/44/91/898984491.db2.gz DYGALTGOFYUMQT-ZDUSSCGKSA-N 2 2 299.415 -0.332 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CCC2(C[NH+](CCO)C2)O1 ZINC001380996068 898984501 /nfs/dbraw/zinc/98/45/01/898984501.db2.gz DYGALTGOFYUMQT-ZDUSSCGKSA-N 2 2 299.415 -0.332 20 0 CBADLP C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001381108782 899000248 /nfs/dbraw/zinc/00/02/48/899000248.db2.gz CZQCYJRZJIJWPG-WDEREUQCSA-N 2 2 293.371 -0.523 20 0 CBADLP CNC(=O)C[NH2+]CC(C)(C)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001381486895 899060647 /nfs/dbraw/zinc/06/06/47/899060647.db2.gz ZKRXPDJCTPXFFC-UHFFFAOYSA-N 2 2 295.387 -0.297 20 0 CBADLP CO[C@H](C)C[NH+]1CC(CCO)(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001381650018 899100881 /nfs/dbraw/zinc/10/08/81/899100881.db2.gz JDAYNXMKKQVURC-OLZOCXBDSA-N 2 2 299.415 -0.332 20 0 CBADLP CO[C@H](C)C[NH+]1CC(CCO)(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001381650018 899100885 /nfs/dbraw/zinc/10/08/85/899100885.db2.gz JDAYNXMKKQVURC-OLZOCXBDSA-N 2 2 299.415 -0.332 20 0 CBADLP Cc1cn(C(C)(C)C(=O)N(C)C[C@H](C)[NH2+]CC(N)=O)c[nH+]1 ZINC001382091689 899155909 /nfs/dbraw/zinc/15/59/09/899155909.db2.gz VTBPGZCOJMEYPO-JTQLQIEISA-N 2 2 295.387 -0.152 20 0 CBADLP C[C@@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)[NH2+]CC(=O)N1CCC1 ZINC001382125337 899161055 /nfs/dbraw/zinc/16/10/55/899161055.db2.gz VVURFPVSDQXWHH-NSHDSACASA-N 2 2 293.371 -0.379 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[NH+](CC(N)=O)[C@@H]1C ZINC001382342225 899254667 /nfs/dbraw/zinc/25/46/67/899254667.db2.gz FALOKNGTIPXNLO-NEPJUHHUSA-N 2 2 284.404 -0.219 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N[C@H]1CCC[NH+](CC(N)=O)[C@@H]1C ZINC001382342225 899254679 /nfs/dbraw/zinc/25/46/79/899254679.db2.gz FALOKNGTIPXNLO-NEPJUHHUSA-N 2 2 284.404 -0.219 20 0 CBADLP CC(C)[NH+](C)CC(=O)N[C@H]1CCC[N@H+](CC(N)=O)[C@@H]1C ZINC001382342225 899254689 /nfs/dbraw/zinc/25/46/89/899254689.db2.gz FALOKNGTIPXNLO-NEPJUHHUSA-N 2 2 284.404 -0.219 20 0 CBADLP CC(C)[NH+](C)CC(=O)N[C@H]1CCC[N@@H+](CC(N)=O)[C@@H]1C ZINC001382342225 899254702 /nfs/dbraw/zinc/25/47/02/899254702.db2.gz FALOKNGTIPXNLO-NEPJUHHUSA-N 2 2 284.404 -0.219 20 0 CBADLP COC[C@@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001382470670 899312241 /nfs/dbraw/zinc/31/22/41/899312241.db2.gz GZDCOMOGDRNCSR-VXGBXAGGSA-N 2 2 298.387 -0.262 20 0 CBADLP COC[C@@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001382470670 899312258 /nfs/dbraw/zinc/31/22/58/899312258.db2.gz GZDCOMOGDRNCSR-VXGBXAGGSA-N 2 2 298.387 -0.262 20 0 CBADLP COC[C@@H](C)[N@H+](C)C[C@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001382470667 899312415 /nfs/dbraw/zinc/31/24/15/899312415.db2.gz GZDCOMOGDRNCSR-NEPJUHHUSA-N 2 2 298.387 -0.262 20 0 CBADLP COC[C@@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001382470667 899312426 /nfs/dbraw/zinc/31/24/26/899312426.db2.gz GZDCOMOGDRNCSR-NEPJUHHUSA-N 2 2 298.387 -0.262 20 0 CBADLP C[NH+](C)CCC(=O)N[C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001386216741 899638538 /nfs/dbraw/zinc/63/85/38/899638538.db2.gz FOOBXIMMUKORCR-XYPYZODXSA-N 2 2 293.371 -0.333 20 0 CBADLP CN(CCNC(=O)Cc1[nH]cc[nH+]1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001387064558 899756560 /nfs/dbraw/zinc/75/65/60/899756560.db2.gz CTKNYSFWMUFGMC-NSHDSACASA-N 2 2 293.371 -0.379 20 0 CBADLP CN(CCNC(=O)Cc1[nH]cc[nH+]1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001387064558 899756576 /nfs/dbraw/zinc/75/65/76/899756576.db2.gz CTKNYSFWMUFGMC-NSHDSACASA-N 2 2 293.371 -0.379 20 0 CBADLP C[C@H]([NH2+][C@H]1C[C@H](CNC(=O)CCn2cc[nH+]c2)C1)C(N)=O ZINC001388725522 899904459 /nfs/dbraw/zinc/90/44/59/899904459.db2.gz JXVOSEPCLYSSTF-SRVKXCTJSA-N 2 2 293.371 -0.369 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)NC[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001388734204 899909022 /nfs/dbraw/zinc/90/90/22/899909022.db2.gz BAHDAROUMJXRDZ-XYPYZODXSA-N 2 2 293.371 -0.678 20 0 CBADLP CCC(=O)N(C)CC[NH+]1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001388784273 899912668 /nfs/dbraw/zinc/91/26/68/899912668.db2.gz XAICJEOYZQCDJR-UHFFFAOYSA-N 2 2 298.431 -0.049 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001389387638 900006076 /nfs/dbraw/zinc/00/60/76/900006076.db2.gz ILDGRLNMVMOQFH-RYUDHWBXSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001389387638 900006087 /nfs/dbraw/zinc/00/60/87/900006087.db2.gz ILDGRLNMVMOQFH-RYUDHWBXSA-N 2 2 296.415 -0.217 20 0 CBADLP CC(C)NC(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001389508382 900034115 /nfs/dbraw/zinc/03/41/15/900034115.db2.gz JSKMULILLDPMTE-ZDUSSCGKSA-N 2 2 296.415 -0.203 20 0 CBADLP CC(C)NC(=O)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001389508382 900034127 /nfs/dbraw/zinc/03/41/27/900034127.db2.gz JSKMULILLDPMTE-ZDUSSCGKSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001389820568 900077114 /nfs/dbraw/zinc/07/71/14/900077114.db2.gz QEGZZTQEJMIFLJ-QWRGUYRKSA-N 2 2 293.371 -0.414 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]Cc1cnns1 ZINC001390318237 900134723 /nfs/dbraw/zinc/13/47/23/900134723.db2.gz HCEHXSKQCLGIQQ-GXSJLCMTSA-N 2 2 299.400 -0.537 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]Cc1cnns1 ZINC001390318237 900134728 /nfs/dbraw/zinc/13/47/28/900134728.db2.gz HCEHXSKQCLGIQQ-GXSJLCMTSA-N 2 2 299.400 -0.537 20 0 CBADLP C[C@H](CNC(=O)CCn1cc[nH+]c1)[NH2+][C@@H]1CCN(C)C1=O ZINC001390461773 900166342 /nfs/dbraw/zinc/16/63/42/900166342.db2.gz SQEVAZDCCULJLT-VXGBXAGGSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@H](CNC(=O)CCc1c[nH+]cn1C)[NH2+]CC(=O)N(C)C ZINC001390519601 900179174 /nfs/dbraw/zinc/17/91/74/900179174.db2.gz FPGIXMWMIYVLSH-LLVKDONJSA-N 2 2 295.387 -0.465 20 0 CBADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]CC(=O)N(C)C ZINC001390516576 900179205 /nfs/dbraw/zinc/17/92/05/900179205.db2.gz YCCLLXSSTWEGDJ-SNVBAGLBSA-N 2 2 281.360 -0.855 20 0 CBADLP COC[C@@H](O)C[NH2+][C@@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001390520704 900180562 /nfs/dbraw/zinc/18/05/62/900180562.db2.gz IDTYBFCYDKCUET-ONGXEEELSA-N 2 2 284.360 -0.638 20 0 CBADLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]CC(=O)N(C)C ZINC001390516571 900180968 /nfs/dbraw/zinc/18/09/68/900180968.db2.gz YCCLLXSSTWEGDJ-JTQLQIEISA-N 2 2 281.360 -0.855 20 0 CBADLP C[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)CC(=O)NC1CC1 ZINC001390785666 900243427 /nfs/dbraw/zinc/24/34/27/900243427.db2.gz RETPKWOEWYJFCU-ZDUSSCGKSA-N 2 2 296.415 -0.203 20 0 CBADLP C[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)CC(=O)NC1CC1 ZINC001390785666 900243437 /nfs/dbraw/zinc/24/34/37/900243437.db2.gz RETPKWOEWYJFCU-ZDUSSCGKSA-N 2 2 296.415 -0.203 20 0 CBADLP C[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)CC(=O)NC1CC1 ZINC001390785666 900243447 /nfs/dbraw/zinc/24/34/47/900243447.db2.gz RETPKWOEWYJFCU-ZDUSSCGKSA-N 2 2 296.415 -0.203 20 0 CBADLP C[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1C)CC(=O)NC1CC1 ZINC001390785666 900243458 /nfs/dbraw/zinc/24/34/58/900243458.db2.gz RETPKWOEWYJFCU-ZDUSSCGKSA-N 2 2 296.415 -0.203 20 0 CBADLP C[N@H+](CCNC(=O)C12CCC[NH+]1CCC2)[C@H]1CCNC1=O ZINC001390781913 900244152 /nfs/dbraw/zinc/24/41/52/900244152.db2.gz NEZOKJJKHNUMCU-LBPRGKRZSA-N 2 2 294.399 -0.449 20 0 CBADLP C[N@@H+](CCNC(=O)C12CCC[NH+]1CCC2)[C@H]1CCNC1=O ZINC001390781913 900244161 /nfs/dbraw/zinc/24/41/61/900244161.db2.gz NEZOKJJKHNUMCU-LBPRGKRZSA-N 2 2 294.399 -0.449 20 0 CBADLP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC[NH+](C)CC(N)=O ZINC001390823320 900258647 /nfs/dbraw/zinc/25/86/47/900258647.db2.gz DFYPCWYTRUNITE-LBPRGKRZSA-N 2 2 284.404 -0.217 20 0 CBADLP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC[NH+](C)CC(N)=O ZINC001390823320 900258657 /nfs/dbraw/zinc/25/86/57/900258657.db2.gz DFYPCWYTRUNITE-LBPRGKRZSA-N 2 2 284.404 -0.217 20 0 CBADLP CC(C)[NH+]1CCCC[C@H]1C(=O)NCC[N@H+](C)CC(N)=O ZINC001390823320 900258669 /nfs/dbraw/zinc/25/86/69/900258669.db2.gz DFYPCWYTRUNITE-LBPRGKRZSA-N 2 2 284.404 -0.217 20 0 CBADLP CC(C)[NH+]1CCCC[C@H]1C(=O)NCC[N@@H+](C)CC(N)=O ZINC001390823320 900258680 /nfs/dbraw/zinc/25/86/80/900258680.db2.gz DFYPCWYTRUNITE-LBPRGKRZSA-N 2 2 284.404 -0.217 20 0 CBADLP CCNC(=O)C[N@H+](C)CCNC(=O)C[NH+](C)C(C)C ZINC001390866574 900271105 /nfs/dbraw/zinc/27/11/05/900271105.db2.gz SROXDJXJJCNUCC-UHFFFAOYSA-N 2 2 272.393 -0.489 20 0 CBADLP CCNC(=O)C[N@@H+](C)CCNC(=O)C[NH+](C)C(C)C ZINC001390866574 900271116 /nfs/dbraw/zinc/27/11/16/900271116.db2.gz SROXDJXJJCNUCC-UHFFFAOYSA-N 2 2 272.393 -0.489 20 0 CBADLP CCNC(=O)C[NH+](C)CCNC(=O)C[N@H+](C)C(C)C ZINC001390866574 900271128 /nfs/dbraw/zinc/27/11/28/900271128.db2.gz SROXDJXJJCNUCC-UHFFFAOYSA-N 2 2 272.393 -0.489 20 0 CBADLP CCNC(=O)C[NH+](C)CCNC(=O)C[N@@H+](C)C(C)C ZINC001390866574 900271138 /nfs/dbraw/zinc/27/11/38/900271138.db2.gz SROXDJXJJCNUCC-UHFFFAOYSA-N 2 2 272.393 -0.489 20 0 CBADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH+](C)CC(=O)N(C)C ZINC001390861436 900274634 /nfs/dbraw/zinc/27/46/34/900274634.db2.gz GSBYIZFKIYAFTE-CYBMUJFWSA-N 2 2 298.431 -0.003 20 0 CBADLP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH+](C)CC(=O)N(C)C ZINC001390861436 900274648 /nfs/dbraw/zinc/27/46/48/900274648.db2.gz GSBYIZFKIYAFTE-CYBMUJFWSA-N 2 2 298.431 -0.003 20 0 CBADLP CC[NH+]1CCCC[C@@H]1C(=O)NCC[N@H+](C)CC(=O)N(C)C ZINC001390861436 900274667 /nfs/dbraw/zinc/27/46/67/900274667.db2.gz GSBYIZFKIYAFTE-CYBMUJFWSA-N 2 2 298.431 -0.003 20 0 CBADLP CC[NH+]1CCCC[C@@H]1C(=O)NCC[N@@H+](C)CC(=O)N(C)C ZINC001390861436 900274677 /nfs/dbraw/zinc/27/46/77/900274677.db2.gz GSBYIZFKIYAFTE-CYBMUJFWSA-N 2 2 298.431 -0.003 20 0 CBADLP C[N@@H+](CC(N)=O)CC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001391367566 900361484 /nfs/dbraw/zinc/36/14/84/900361484.db2.gz YYCGTXXXVOSFPP-UHFFFAOYSA-N 2 2 293.371 -0.392 20 0 CBADLP C[N@H+](CC(N)=O)CC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001391367566 900361492 /nfs/dbraw/zinc/36/14/92/900361492.db2.gz YYCGTXXXVOSFPP-UHFFFAOYSA-N 2 2 293.371 -0.392 20 0 CBADLP Cn1cncc1C[NH+]1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001391497716 900395858 /nfs/dbraw/zinc/39/58/58/900395858.db2.gz SMLCSTMDKQILAU-UHFFFAOYSA-N 2 2 279.388 -0.080 20 0 CBADLP CCCNC(=O)C[NH+]1CC(CNC(=O)C[NH+]2CCCC2)C1 ZINC001391515315 900397270 /nfs/dbraw/zinc/39/72/70/900397270.db2.gz NTKAIUKRBOFAGJ-UHFFFAOYSA-N 2 2 296.415 -0.344 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NCC1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001391514165 900398910 /nfs/dbraw/zinc/39/89/10/900398910.db2.gz LUUIGGKUBGFADE-GFCCVEGCSA-N 2 2 291.355 -0.872 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NCC1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001391522105 900401215 /nfs/dbraw/zinc/40/12/15/900401215.db2.gz HDLHXRRJRJZIHF-JTQLQIEISA-N 2 2 270.377 -0.752 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NCC1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001391522105 900401221 /nfs/dbraw/zinc/40/12/21/900401221.db2.gz HDLHXRRJRJZIHF-JTQLQIEISA-N 2 2 270.377 -0.752 20 0 CBADLP CC[C@@H](C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1)[NH+](CC)CC ZINC001391590943 900412893 /nfs/dbraw/zinc/41/28/93/900412893.db2.gz CQOKQMLHZLFGJA-NEPJUHHUSA-N 2 2 284.404 -0.217 20 0 CBADLP CC[C@@H](C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1)[NH+](CC)CC ZINC001391590943 900412898 /nfs/dbraw/zinc/41/28/98/900412898.db2.gz CQOKQMLHZLFGJA-NEPJUHHUSA-N 2 2 284.404 -0.217 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1CC[N@H+](CCCO)C1 ZINC001391585540 900414632 /nfs/dbraw/zinc/41/46/32/900414632.db2.gz IEYZXGBZLROSCY-GFCCVEGCSA-N 2 2 280.372 -0.074 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1CC[N@@H+](CCCO)C1 ZINC001391585540 900414638 /nfs/dbraw/zinc/41/46/38/900414638.db2.gz IEYZXGBZLROSCY-GFCCVEGCSA-N 2 2 280.372 -0.074 20 0 CBADLP C[C@@H](O)C[N@@H+]1CC[C@@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001391586947 900414796 /nfs/dbraw/zinc/41/47/96/900414796.db2.gz VDCNEPRTEYMFKH-VXGBXAGGSA-N 2 2 280.372 -0.076 20 0 CBADLP C[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001391586947 900414805 /nfs/dbraw/zinc/41/48/05/900414805.db2.gz VDCNEPRTEYMFKH-VXGBXAGGSA-N 2 2 280.372 -0.076 20 0 CBADLP CC[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+]CC(=O)N(C)C ZINC001391695551 900434452 /nfs/dbraw/zinc/43/44/52/900434452.db2.gz UYSFGLSAIIRNMB-NSHDSACASA-N 2 2 295.387 -0.085 20 0 CBADLP CC[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH2+]CC(=O)N(C)C ZINC001391695551 900434458 /nfs/dbraw/zinc/43/44/58/900434458.db2.gz UYSFGLSAIIRNMB-NSHDSACASA-N 2 2 295.387 -0.085 20 0 CBADLP CC[C@@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)[NH2+]CCO ZINC001391710218 900436055 /nfs/dbraw/zinc/43/60/55/900436055.db2.gz WROMYONNLDBUCQ-NEPJUHHUSA-N 2 2 280.372 -0.078 20 0 CBADLP CC[C@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)[NH2+]CC(N)=O ZINC001391711011 900436232 /nfs/dbraw/zinc/43/62/32/900436232.db2.gz ZCYPTPCFZGKUJE-WDEREUQCSA-N 2 2 293.371 -0.585 20 0 CBADLP CC[C@@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)[NH2+]CC(N)=O ZINC001391711010 900436594 /nfs/dbraw/zinc/43/65/94/900436594.db2.gz ZCYPTPCFZGKUJE-QWRGUYRKSA-N 2 2 293.371 -0.585 20 0 CBADLP CC[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+][C@H]1CCNC1=O ZINC001391757941 900444796 /nfs/dbraw/zinc/44/47/96/900444796.db2.gz OYTZIBAKIRBGPS-QWRGUYRKSA-N 2 2 279.344 -0.744 20 0 CBADLP CNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001391860575 900453596 /nfs/dbraw/zinc/45/35/96/900453596.db2.gz FYIGMVNCMODPDE-GFCCVEGCSA-N 2 2 293.371 -0.331 20 0 CBADLP CNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001391860575 900453604 /nfs/dbraw/zinc/45/36/04/900453604.db2.gz FYIGMVNCMODPDE-GFCCVEGCSA-N 2 2 293.371 -0.331 20 0 CBADLP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C[NH2+]Cc1nnn(C)n1 ZINC001391882627 900459804 /nfs/dbraw/zinc/45/98/04/900459804.db2.gz RYZOFMUDNMUIKR-WDEREUQCSA-N 2 2 295.391 -0.854 20 0 CBADLP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)C[NH2+]Cc1nnn(C)n1 ZINC001391882627 900459806 /nfs/dbraw/zinc/45/98/06/900459806.db2.gz RYZOFMUDNMUIKR-WDEREUQCSA-N 2 2 295.391 -0.854 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]C[C@@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001391894220 900462026 /nfs/dbraw/zinc/46/20/26/900462026.db2.gz OAYXDRKSTVTOAO-MNOVXSKESA-N 2 2 295.387 -0.181 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]C[C@@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001391894220 900462029 /nfs/dbraw/zinc/46/20/29/900462029.db2.gz OAYXDRKSTVTOAO-MNOVXSKESA-N 2 2 295.387 -0.181 20 0 CBADLP CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001391933573 900466845 /nfs/dbraw/zinc/46/68/45/900466845.db2.gz SYTBVOLEQHUUFH-JTQLQIEISA-N 2 2 281.360 -0.570 20 0 CBADLP C[NH+](C)C1(C(=O)NC[C@@H]2C[N@H+](CCO)CCO2)CCC1 ZINC001391975201 900479720 /nfs/dbraw/zinc/47/97/20/900479720.db2.gz SBDQRTBBQQGNIE-GFCCVEGCSA-N 2 2 285.388 -0.720 20 0 CBADLP C[NH+](C)C1(C(=O)NC[C@@H]2C[N@@H+](CCO)CCO2)CCC1 ZINC001391975201 900479725 /nfs/dbraw/zinc/47/97/25/900479725.db2.gz SBDQRTBBQQGNIE-GFCCVEGCSA-N 2 2 285.388 -0.720 20 0 CBADLP C[C@H](C[NH2+][C@H](C)C(=O)N(C)C)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001392113989 900516690 /nfs/dbraw/zinc/51/66/90/900516690.db2.gz SEMJNBSCIMLTMF-GHMZBOCLSA-N 2 2 295.387 -0.135 20 0 CBADLP CN(C)C(=O)C[N@@H+](C)CCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001392280714 900549795 /nfs/dbraw/zinc/54/97/95/900549795.db2.gz HGYKYEILPQJZFD-UHFFFAOYSA-N 2 2 298.431 -0.051 20 0 CBADLP CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001392388948 900596657 /nfs/dbraw/zinc/59/66/57/900596657.db2.gz FVWLVVAZIGDJFF-KGLIPLIRSA-N 2 2 299.415 -0.284 20 0 CBADLP CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001392388948 900596663 /nfs/dbraw/zinc/59/66/63/900596663.db2.gz FVWLVVAZIGDJFF-KGLIPLIRSA-N 2 2 299.415 -0.284 20 0 CBADLP CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001392388944 900598153 /nfs/dbraw/zinc/59/81/53/900598153.db2.gz FVWLVVAZIGDJFF-KBPBESRZSA-N 2 2 299.415 -0.284 20 0 CBADLP CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001392388944 900598158 /nfs/dbraw/zinc/59/81/58/900598158.db2.gz FVWLVVAZIGDJFF-KBPBESRZSA-N 2 2 299.415 -0.284 20 0 CBADLP CO[C@@H](C)C[NH2+]C[C@@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001392405755 900606087 /nfs/dbraw/zinc/60/60/87/900606087.db2.gz LNXAPLABDMFTDB-GXSJLCMTSA-N 2 2 270.333 -0.946 20 0 CBADLP C[C@@H](C[NH2+]CC(=O)N(C)C)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001392603703 900673596 /nfs/dbraw/zinc/67/35/96/900673596.db2.gz VYVVBEMCCAXMCQ-QWRGUYRKSA-N 2 2 295.387 -0.229 20 0 CBADLP C[C@@H](C[NH2+]CC(=O)N(C)C)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001392603703 900673604 /nfs/dbraw/zinc/67/36/04/900673604.db2.gz VYVVBEMCCAXMCQ-QWRGUYRKSA-N 2 2 295.387 -0.229 20 0 CBADLP COC[C@H](O)C[N@H+](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001392726760 900714584 /nfs/dbraw/zinc/71/45/84/900714584.db2.gz TXGLAQFGQRMNJX-NWDGAFQWSA-N 2 2 284.360 -0.673 20 0 CBADLP COC[C@H](O)C[N@@H+](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001392726760 900714590 /nfs/dbraw/zinc/71/45/90/900714590.db2.gz TXGLAQFGQRMNJX-NWDGAFQWSA-N 2 2 284.360 -0.673 20 0 CBADLP C[C@@H]([NH2+]C[C@H](NC(=O)CCc1c[nH]c[nH+]1)C1CC1)C(N)=O ZINC001392765005 900721212 /nfs/dbraw/zinc/72/12/12/900721212.db2.gz NEHIQKBCTGQPFL-SKDRFNHKSA-N 2 2 293.371 -0.300 20 0 CBADLP C[C@@H]([NH2+]C[C@H](NC(=O)CCc1c[nH+]c[nH]1)C1CC1)C(N)=O ZINC001392765005 900721220 /nfs/dbraw/zinc/72/12/20/900721220.db2.gz NEHIQKBCTGQPFL-SKDRFNHKSA-N 2 2 293.371 -0.300 20 0 CBADLP C[C@@H]([NH2+]C[C@@H](NC(=O)Cc1c[nH+]cn1C)C1CC1)C(N)=O ZINC001392795816 900727930 /nfs/dbraw/zinc/72/79/30/900727930.db2.gz DIZFZUORVVZFAZ-BXKDBHETSA-N 2 2 293.371 -0.679 20 0 CBADLP O=C(Cc1cn2c([nH+]1)CCCC2)NC[C@@H]1CC[N@H+]1CCO ZINC001392835232 900738078 /nfs/dbraw/zinc/73/80/78/900738078.db2.gz MSNCUTRVCOAXGB-ZDUSSCGKSA-N 2 2 292.383 -0.055 20 0 CBADLP O=C(Cc1cn2c([nH+]1)CCCC2)NC[C@@H]1CC[N@@H+]1CCO ZINC001392835232 900738082 /nfs/dbraw/zinc/73/80/82/900738082.db2.gz MSNCUTRVCOAXGB-ZDUSSCGKSA-N 2 2 292.383 -0.055 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001392881675 900747118 /nfs/dbraw/zinc/74/71/18/900747118.db2.gz WNNXXDFZLCTMCF-STQMWFEESA-N 2 2 296.415 -0.073 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001392881675 900747124 /nfs/dbraw/zinc/74/71/24/900747124.db2.gz WNNXXDFZLCTMCF-STQMWFEESA-N 2 2 296.415 -0.073 20 0 CBADLP CC[N@H+](C)CCC(=O)NC[C@H]1CC[NH+]1[C@H]1CCN(C)C1=O ZINC001392873809 900747152 /nfs/dbraw/zinc/74/71/52/900747152.db2.gz YOMAGYXDQTVSTA-OLZOCXBDSA-N 2 2 296.415 -0.251 20 0 CBADLP CC[N@@H+](C)CCC(=O)NC[C@H]1CC[NH+]1[C@H]1CCN(C)C1=O ZINC001392873809 900747158 /nfs/dbraw/zinc/74/71/58/900747158.db2.gz YOMAGYXDQTVSTA-OLZOCXBDSA-N 2 2 296.415 -0.251 20 0 CBADLP CC[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+]1[C@H]1CCN(C)C1=O ZINC001392873809 900747165 /nfs/dbraw/zinc/74/71/65/900747165.db2.gz YOMAGYXDQTVSTA-OLZOCXBDSA-N 2 2 296.415 -0.251 20 0 CBADLP CC[NH+](C)CCC(=O)NC[C@H]1CC[N@H+]1[C@H]1CCN(C)C1=O ZINC001392873809 900747169 /nfs/dbraw/zinc/74/71/69/900747169.db2.gz YOMAGYXDQTVSTA-OLZOCXBDSA-N 2 2 296.415 -0.251 20 0 CBADLP CC[C@H](C(=O)NCC1([NH2+]Cc2cn(C)nn2)CC1)[NH+](C)C ZINC001392917590 900759240 /nfs/dbraw/zinc/75/92/40/900759240.db2.gz MKZVCPQDQMYBJA-GFCCVEGCSA-N 2 2 294.403 -0.106 20 0 CBADLP Cc1nnc(C[NH2+]C2(CNC(=O)[C@H]3CCC[N@H+]3C)CC2)[nH]1 ZINC001392925416 900761790 /nfs/dbraw/zinc/76/17/90/900761790.db2.gz OICPMPCXHGLOER-LLVKDONJSA-N 2 2 292.387 -0.054 20 0 CBADLP Cc1nnc(C[NH2+]C2(CNC(=O)[C@H]3CCC[N@@H+]3C)CC2)[nH]1 ZINC001392925416 900761801 /nfs/dbraw/zinc/76/18/01/900761801.db2.gz OICPMPCXHGLOER-LLVKDONJSA-N 2 2 292.387 -0.054 20 0 CBADLP CC[C@H]([NH2+]C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1)C(N)=O ZINC001393059062 900787512 /nfs/dbraw/zinc/78/75/12/900787512.db2.gz YDNMVVKLBIUJDD-NEPJUHHUSA-N 2 2 293.371 -0.272 20 0 CBADLP CNC(=O)C[NH2+]C[C@]1(C)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001393168784 900800443 /nfs/dbraw/zinc/80/04/43/900800443.db2.gz QISSYNQJPJYDQF-AWEZNQCLSA-N 2 2 293.371 -0.543 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@]1(O)CC[N@H+](CCCO)C1 ZINC001393296863 900832362 /nfs/dbraw/zinc/83/23/62/900832362.db2.gz YNYKYZJPZPOORR-CQSZACIVSA-N 2 2 296.371 -0.804 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@]1(O)CC[N@@H+](CCCO)C1 ZINC001393296863 900832371 /nfs/dbraw/zinc/83/23/71/900832371.db2.gz YNYKYZJPZPOORR-CQSZACIVSA-N 2 2 296.371 -0.804 20 0 CBADLP O=C(C[NH+]1CCCC1)NCC1(O)C[NH+](C[C@H]2CCOC2)C1 ZINC001393356126 900845935 /nfs/dbraw/zinc/84/59/35/900845935.db2.gz YUPAFEHSZBTYMW-CYBMUJFWSA-N 2 2 297.399 -0.718 20 0 CBADLP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001393360657 900847304 /nfs/dbraw/zinc/84/73/04/900847304.db2.gz SEWPDBIRFVZSDM-ZDUSSCGKSA-N 2 2 299.415 -0.594 20 0 CBADLP CC[N@H+]1CCCC[C@H]1C(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001393360657 900847307 /nfs/dbraw/zinc/84/73/07/900847307.db2.gz SEWPDBIRFVZSDM-ZDUSSCGKSA-N 2 2 299.415 -0.594 20 0 CBADLP C[C@H]([NH2+]CC(N)=O)[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001393394805 900852748 /nfs/dbraw/zinc/85/27/48/900852748.db2.gz YEDZGKWOKYFTRS-RYUDHWBXSA-N 2 2 293.371 -0.415 20 0 CBADLP C[C@@H](CC(=O)NCC1([NH2+]CC(N)=O)CCC1)n1cc[nH+]c1 ZINC001393565106 900873290 /nfs/dbraw/zinc/87/32/90/900873290.db2.gz FLHZZYAWBPZULQ-NSHDSACASA-N 2 2 293.371 -0.052 20 0 CBADLP CC1([NH2+]CC(N)=O)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001393751567 900903259 /nfs/dbraw/zinc/90/32/59/900903259.db2.gz QXZUYQMTGHNRMC-UHFFFAOYSA-N 2 2 279.344 -0.661 20 0 CBADLP C[N@@H+](CC(N)=O)C[C@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC001393884509 900919819 /nfs/dbraw/zinc/91/98/19/900919819.db2.gz RKNNXSUSQKACTK-OLZOCXBDSA-N 2 2 296.415 -0.121 20 0 CBADLP C[N@H+](CC(N)=O)C[C@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC001393884509 900919831 /nfs/dbraw/zinc/91/98/31/900919831.db2.gz RKNNXSUSQKACTK-OLZOCXBDSA-N 2 2 296.415 -0.121 20 0 CBADLP C[NH+](CC(N)=O)C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001393884509 900919858 /nfs/dbraw/zinc/91/98/58/900919858.db2.gz RKNNXSUSQKACTK-OLZOCXBDSA-N 2 2 296.415 -0.121 20 0 CBADLP COC[C@H](O)C[NH2+]CC1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC001393909590 900930018 /nfs/dbraw/zinc/93/00/18/900930018.db2.gz WDCRIVZJDRUFGG-WXRRBKDZSA-N 2 2 296.371 -0.625 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+](C)[C@@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001394091956 900968055 /nfs/dbraw/zinc/96/80/55/900968055.db2.gz KOXISSHMPJIQKF-CMPLNLGQSA-N 2 2 295.387 -0.237 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001394091956 900968062 /nfs/dbraw/zinc/96/80/62/900968062.db2.gz KOXISSHMPJIQKF-CMPLNLGQSA-N 2 2 295.387 -0.237 20 0 CBADLP CCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001394247373 901004291 /nfs/dbraw/zinc/00/42/91/901004291.db2.gz RIXPUOQAIQMZLV-DGCLKSJQSA-N 2 2 296.415 -0.347 20 0 CBADLP CCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001394247373 901004299 /nfs/dbraw/zinc/00/42/99/901004299.db2.gz RIXPUOQAIQMZLV-DGCLKSJQSA-N 2 2 296.415 -0.347 20 0 CBADLP CC[C@H](C(=O)N[C@H]1C[N@H+](CC(N)=O)CC1(C)C)[NH+](C)C ZINC001394288093 901008875 /nfs/dbraw/zinc/00/88/75/901008875.db2.gz QMRUXYURMZBBCI-MNOVXSKESA-N 2 2 284.404 -0.362 20 0 CBADLP CC[C@H](C(=O)N[C@H]1C[N@@H+](CC(N)=O)CC1(C)C)[NH+](C)C ZINC001394288093 901008892 /nfs/dbraw/zinc/00/88/92/901008892.db2.gz QMRUXYURMZBBCI-MNOVXSKESA-N 2 2 284.404 -0.362 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@@H](C)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001394535144 901047272 /nfs/dbraw/zinc/04/72/72/901047272.db2.gz FRFPEGYPSAGDNZ-QWRGUYRKSA-N 2 2 295.387 -0.466 20 0 CBADLP CC[C@H]([NH2+][C@@H](C)CN(C)C(=O)Cc1[nH]cc[nH+]1)C(N)=O ZINC001394545944 901047805 /nfs/dbraw/zinc/04/78/05/901047805.db2.gz PKZJRTOGULFEBJ-UWVGGRQHSA-N 2 2 281.360 -0.347 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]Cc1nccs1 ZINC001394612308 901087071 /nfs/dbraw/zinc/08/70/71/901087071.db2.gz HEIIXINLWONPGX-GHMZBOCLSA-N 2 2 298.412 -0.196 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]Cc1nccs1 ZINC001394612308 901087079 /nfs/dbraw/zinc/08/70/79/901087079.db2.gz HEIIXINLWONPGX-GHMZBOCLSA-N 2 2 298.412 -0.196 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]Cc1nccs1 ZINC001394612312 901087951 /nfs/dbraw/zinc/08/79/51/901087951.db2.gz HEIIXINLWONPGX-WDEREUQCSA-N 2 2 298.412 -0.196 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]Cc1nccs1 ZINC001394612312 901087959 /nfs/dbraw/zinc/08/79/59/901087959.db2.gz HEIIXINLWONPGX-WDEREUQCSA-N 2 2 298.412 -0.196 20 0 CBADLP Cc1nc(C[NH2+][C@@H](CO)CNC(=O)C[NH+]2CCCC2)co1 ZINC001394650741 901107043 /nfs/dbraw/zinc/10/70/43/901107043.db2.gz GRUDETOANYNCOD-GFCCVEGCSA-N 2 2 296.371 -0.354 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001394720678 901122365 /nfs/dbraw/zinc/12/23/65/901122365.db2.gz WYUXYXDHKPHKPD-MNOVXSKESA-N 2 2 293.371 -0.427 20 0 CBADLP CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001394747790 901140514 /nfs/dbraw/zinc/14/05/14/901140514.db2.gz ZCKCBEOVSUIJPE-NEPJUHHUSA-N 2 2 280.372 -0.126 20 0 CBADLP CO[C@H](C)C[NH2+]C[C@@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001394761267 901143487 /nfs/dbraw/zinc/14/34/87/901143487.db2.gz ZFXFSSUJVHXXQE-ZYHUDNBSSA-N 2 2 284.360 -0.604 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@@H+]1CC(N)=O ZINC001397800520 901458016 /nfs/dbraw/zinc/45/80/16/901458016.db2.gz CYQYPLLHXRZKGY-MNOVXSKESA-N 2 2 282.388 -0.608 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@H+]1CC(N)=O ZINC001397800520 901458021 /nfs/dbraw/zinc/45/80/21/901458021.db2.gz CYQYPLLHXRZKGY-MNOVXSKESA-N 2 2 282.388 -0.608 20 0 CBADLP CN(CCNC(=O)CC[NH+](C)C)C(=O)CCc1c[nH]c[nH+]1 ZINC001398030092 901493908 /nfs/dbraw/zinc/49/39/08/901493908.db2.gz ULCVQURGXOQCDT-UHFFFAOYSA-N 2 2 295.387 -0.131 20 0 CBADLP CN(CCNC(=O)CC[NH+](C)C)C(=O)CCc1c[nH+]c[nH]1 ZINC001398030092 901493918 /nfs/dbraw/zinc/49/39/18/901493918.db2.gz ULCVQURGXOQCDT-UHFFFAOYSA-N 2 2 295.387 -0.131 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](CC(=O)N(C)C)C1 ZINC001398252971 901514661 /nfs/dbraw/zinc/51/46/61/901514661.db2.gz LFOTVMSGHBVJTC-CYBMUJFWSA-N 2 2 298.431 -0.005 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCC[NH+](CC(=O)N(C)C)C1 ZINC001398252971 901514671 /nfs/dbraw/zinc/51/46/71/901514671.db2.gz LFOTVMSGHBVJTC-CYBMUJFWSA-N 2 2 298.431 -0.005 20 0 CBADLP CC(C)[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](CC(=O)N(C)C)C1 ZINC001398252971 901514683 /nfs/dbraw/zinc/51/46/83/901514683.db2.gz LFOTVMSGHBVJTC-CYBMUJFWSA-N 2 2 298.431 -0.005 20 0 CBADLP CC(C)[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](CC(=O)N(C)C)C1 ZINC001398252971 901514693 /nfs/dbraw/zinc/51/46/93/901514693.db2.gz LFOTVMSGHBVJTC-CYBMUJFWSA-N 2 2 298.431 -0.005 20 0 CBADLP CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001398303623 901520962 /nfs/dbraw/zinc/52/09/62/901520962.db2.gz XOCVKOIQXDORQQ-LBPRGKRZSA-N 2 2 296.415 -0.203 20 0 CBADLP CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001398303623 901520970 /nfs/dbraw/zinc/52/09/70/901520970.db2.gz XOCVKOIQXDORQQ-LBPRGKRZSA-N 2 2 296.415 -0.203 20 0 CBADLP CCNC(=O)C[NH+]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001398303623 901520975 /nfs/dbraw/zinc/52/09/75/901520975.db2.gz XOCVKOIQXDORQQ-LBPRGKRZSA-N 2 2 296.415 -0.203 20 0 CBADLP CCNC(=O)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001398303623 901520987 /nfs/dbraw/zinc/52/09/87/901520987.db2.gz XOCVKOIQXDORQQ-LBPRGKRZSA-N 2 2 296.415 -0.203 20 0 CBADLP C[C@@H](O)C[NH2+][C@@H](CNC(=O)Cc1c[nH+]cn1C)C1CC1 ZINC001398451160 901540286 /nfs/dbraw/zinc/54/02/86/901540286.db2.gz VTSHMHKJGRLVTN-MFKMUULPSA-N 2 2 280.372 -0.172 20 0 CBADLP C[C@@H]([NH2+][C@H](CNC(=O)Cc1c[nH+]cn1C)C1CC1)C(N)=O ZINC001398442359 901541351 /nfs/dbraw/zinc/54/13/51/901541351.db2.gz APDCKNNUBGQFKN-BXKDBHETSA-N 2 2 293.371 -0.679 20 0 CBADLP CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001398568726 901561285 /nfs/dbraw/zinc/56/12/85/901561285.db2.gz XYHZVNOLGPWOEU-XYPYZODXSA-N 2 2 293.371 -0.366 20 0 CBADLP CC[C@@H](C(=O)NC1CN(C(=O)Cn2cc[nH+]c2)C1)[NH+](C)C ZINC001398651343 901582801 /nfs/dbraw/zinc/58/28/01/901582801.db2.gz JUJXHMITAGWAPX-LBPRGKRZSA-N 2 2 293.371 -0.450 20 0 CBADLP CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001398671943 901588443 /nfs/dbraw/zinc/58/84/43/901588443.db2.gz QOKALLCHHHWTSK-AOOOYVTPSA-N 2 2 279.344 -0.757 20 0 CBADLP C[NH+](C)CCC(=O)NCC1CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001398817961 901605679 /nfs/dbraw/zinc/60/56/79/901605679.db2.gz WWGFZAXKPAVQBC-UHFFFAOYSA-N 2 2 293.371 -0.522 20 0 CBADLP CC[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)NC(=O)CC[NH+](C)C ZINC001399074168 901658885 /nfs/dbraw/zinc/65/88/85/901658885.db2.gz PFCVVJRXSKPELW-NSHDSACASA-N 2 2 295.387 -0.085 20 0 CBADLP CC[C@H]([NH2+][C@H](C)CNC(=O)Cc1c[nH+]cn1C)C(N)=O ZINC001399096198 901662857 /nfs/dbraw/zinc/66/28/57/901662857.db2.gz BJFOZFKHNVNXFT-KOLCDFICSA-N 2 2 281.360 -0.679 20 0 CBADLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]CC(=O)NC1CC1 ZINC001399107728 901665493 /nfs/dbraw/zinc/66/54/93/901665493.db2.gz JYQQXKVMLOGRDI-JTQLQIEISA-N 2 2 293.371 -0.665 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)[NH2+][C@H]1CCN(C)C1=O ZINC001399130860 901674039 /nfs/dbraw/zinc/67/40/39/901674039.db2.gz UQLOHUFQVJPTGU-KOLCDFICSA-N 2 2 293.371 -0.414 20 0 CBADLP CCCNC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001399215305 901681795 /nfs/dbraw/zinc/68/17/95/901681795.db2.gz JTBKGNBNQXXSEB-NSHDSACASA-N 2 2 293.371 -0.331 20 0 CBADLP C[C@H](CCNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@@H]1CCN(C)C1=O ZINC001399395992 901708188 /nfs/dbraw/zinc/70/81/88/901708188.db2.gz IUNMSDNEXQFEFZ-ZYHUDNBSSA-N 2 2 293.371 -0.333 20 0 CBADLP C[C@@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+][C@H]1CCN(C)C1=O ZINC001399425663 901711360 /nfs/dbraw/zinc/71/13/60/901711360.db2.gz HQERZFAFVNLNNG-RYUDHWBXSA-N 2 2 293.371 -0.402 20 0 CBADLP CCNC(=O)C[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001399487374 901736059 /nfs/dbraw/zinc/73/60/59/901736059.db2.gz XEGURIUOSJDRBY-QWHCGFSZSA-N 2 2 298.431 -0.099 20 0 CBADLP CCNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001399487374 901736067 /nfs/dbraw/zinc/73/60/67/901736067.db2.gz XEGURIUOSJDRBY-QWHCGFSZSA-N 2 2 298.431 -0.099 20 0 CBADLP CCNC(=O)C[NH+](C)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001399487374 901736075 /nfs/dbraw/zinc/73/60/75/901736075.db2.gz XEGURIUOSJDRBY-QWHCGFSZSA-N 2 2 298.431 -0.099 20 0 CBADLP CCNC(=O)C[NH+](C)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001399487374 901736081 /nfs/dbraw/zinc/73/60/81/901736081.db2.gz XEGURIUOSJDRBY-QWHCGFSZSA-N 2 2 298.431 -0.099 20 0 CBADLP Cn1cncc1C[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001399653857 901766369 /nfs/dbraw/zinc/76/63/69/901766369.db2.gz JFLRQBDKMMZLEV-LBPRGKRZSA-N 2 2 279.388 -0.080 20 0 CBADLP Cn1cncc1C[N@@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001399653857 901766380 /nfs/dbraw/zinc/76/63/80/901766380.db2.gz JFLRQBDKMMZLEV-LBPRGKRZSA-N 2 2 279.388 -0.080 20 0 CBADLP Cn1cncc1C[NH+](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001399653857 901766393 /nfs/dbraw/zinc/76/63/93/901766393.db2.gz JFLRQBDKMMZLEV-LBPRGKRZSA-N 2 2 279.388 -0.080 20 0 CBADLP Cn1cncc1C[NH+](C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001399653857 901766403 /nfs/dbraw/zinc/76/64/03/901766403.db2.gz JFLRQBDKMMZLEV-LBPRGKRZSA-N 2 2 279.388 -0.080 20 0 CBADLP C[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)CC(=O)N1CCCC1 ZINC001399652179 901766922 /nfs/dbraw/zinc/76/69/22/901766922.db2.gz GKGPZVWKFWZKPU-CYBMUJFWSA-N 2 2 296.415 -0.392 20 0 CBADLP C[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)CC(=O)N1CCCC1 ZINC001399652179 901766929 /nfs/dbraw/zinc/76/69/29/901766929.db2.gz GKGPZVWKFWZKPU-CYBMUJFWSA-N 2 2 296.415 -0.392 20 0 CBADLP C[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)CC(=O)N1CCCC1 ZINC001399652179 901766936 /nfs/dbraw/zinc/76/69/36/901766936.db2.gz GKGPZVWKFWZKPU-CYBMUJFWSA-N 2 2 296.415 -0.392 20 0 CBADLP C[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)CC(=O)N1CCCC1 ZINC001399652179 901766943 /nfs/dbraw/zinc/76/69/43/901766943.db2.gz GKGPZVWKFWZKPU-CYBMUJFWSA-N 2 2 296.415 -0.392 20 0 CBADLP CC[C@@H](C)NC(=O)C[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001399657627 901772391 /nfs/dbraw/zinc/77/23/91/901772391.db2.gz RZQIGYGKHQRDHA-OLZOCXBDSA-N 2 2 298.431 -0.099 20 0 CBADLP CC[C@@H](C)NC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001399657627 901772396 /nfs/dbraw/zinc/77/23/96/901772396.db2.gz RZQIGYGKHQRDHA-OLZOCXBDSA-N 2 2 298.431 -0.099 20 0 CBADLP CC[C@@H](C)NC(=O)C[NH+](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001399657627 901772404 /nfs/dbraw/zinc/77/24/04/901772404.db2.gz RZQIGYGKHQRDHA-OLZOCXBDSA-N 2 2 298.431 -0.099 20 0 CBADLP CC[C@@H](C)NC(=O)C[NH+](C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001399657627 901772411 /nfs/dbraw/zinc/77/24/11/901772411.db2.gz RZQIGYGKHQRDHA-OLZOCXBDSA-N 2 2 298.431 -0.099 20 0 CBADLP CC[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)CC(N)=O ZINC001399724219 901777653 /nfs/dbraw/zinc/77/76/53/901777653.db2.gz VLAATTMWBZPNBU-LLVKDONJSA-N 2 2 270.377 -0.606 20 0 CBADLP CC[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)CC(N)=O ZINC001399724219 901777660 /nfs/dbraw/zinc/77/76/60/901777660.db2.gz VLAATTMWBZPNBU-LLVKDONJSA-N 2 2 270.377 -0.606 20 0 CBADLP CC[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1C)CC(N)=O ZINC001399724219 901777669 /nfs/dbraw/zinc/77/76/69/901777669.db2.gz VLAATTMWBZPNBU-LLVKDONJSA-N 2 2 270.377 -0.606 20 0 CBADLP CC[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1C)CC(N)=O ZINC001399724219 901777675 /nfs/dbraw/zinc/77/76/75/901777675.db2.gz VLAATTMWBZPNBU-LLVKDONJSA-N 2 2 270.377 -0.606 20 0 CBADLP CC(C)(C(=O)NC[C@H]1CCC[N@@H+]1CC(N)=O)[NH+]1CCCC1 ZINC001399887115 901824364 /nfs/dbraw/zinc/82/43/64/901824364.db2.gz ZRWMSUUUALIPQE-GFCCVEGCSA-N 2 2 296.415 -0.073 20 0 CBADLP CNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001399906160 901832831 /nfs/dbraw/zinc/83/28/31/901832831.db2.gz ZIXBARYYVDEBLQ-GFCCVEGCSA-N 2 2 293.371 -0.482 20 0 CBADLP CNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001399906160 901832843 /nfs/dbraw/zinc/83/28/43/901832843.db2.gz ZIXBARYYVDEBLQ-GFCCVEGCSA-N 2 2 293.371 -0.482 20 0 CBADLP CN(C)C(=O)C[N@H+](CCNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001400040652 901859370 /nfs/dbraw/zinc/85/93/70/901859370.db2.gz SEMAPBSEXRUMNC-UHFFFAOYSA-N 2 2 296.415 -0.249 20 0 CBADLP CN(C)C(=O)C[N@@H+](CCNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001400040652 901859375 /nfs/dbraw/zinc/85/93/75/901859375.db2.gz SEMAPBSEXRUMNC-UHFFFAOYSA-N 2 2 296.415 -0.249 20 0 CBADLP CO[C@H](C)C[NH+]1CC(NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001400448520 901943623 /nfs/dbraw/zinc/94/36/23/901943623.db2.gz JCSHGPAFOBWPMM-QWHCGFSZSA-N 2 2 299.415 -0.210 20 0 CBADLP CC(C)NC(=O)C[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001400471827 901949650 /nfs/dbraw/zinc/94/96/50/901949650.db2.gz NRWCNHYKGIDNQR-CYBMUJFWSA-N 2 2 296.415 -0.347 20 0 CBADLP CC(C)NC(=O)C[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001400471827 901949660 /nfs/dbraw/zinc/94/96/60/901949660.db2.gz NRWCNHYKGIDNQR-CYBMUJFWSA-N 2 2 296.415 -0.347 20 0 CBADLP CNC(=O)C[NH+]1CC(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001400506674 901957698 /nfs/dbraw/zinc/95/76/98/901957698.db2.gz LJPIUEDJLZNHBX-UHFFFAOYSA-N 2 2 282.388 -0.735 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)CC ZINC001400578077 901971221 /nfs/dbraw/zinc/97/12/21/901971221.db2.gz IMZZAPQSNZUQEU-RWMBFGLXSA-N 2 2 296.415 -0.123 20 0 CBADLP CC[C@H](C(N)=O)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)CC ZINC001400578077 901971227 /nfs/dbraw/zinc/97/12/27/901971227.db2.gz IMZZAPQSNZUQEU-RWMBFGLXSA-N 2 2 296.415 -0.123 20 0 CBADLP CC[C@H](C(N)=O)[NH+]1C[C@@H]2C[C@H]1CN2C(=O)CC[N@H+](C)CC ZINC001400578077 901971237 /nfs/dbraw/zinc/97/12/37/901971237.db2.gz IMZZAPQSNZUQEU-RWMBFGLXSA-N 2 2 296.415 -0.123 20 0 CBADLP CC[C@H](C(N)=O)[NH+]1C[C@@H]2C[C@H]1CN2C(=O)CC[N@@H+](C)CC ZINC001400578077 901971247 /nfs/dbraw/zinc/97/12/47/901971247.db2.gz IMZZAPQSNZUQEU-RWMBFGLXSA-N 2 2 296.415 -0.123 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)C2([NH+](C)C)CCC2)C1 ZINC001400709182 901999015 /nfs/dbraw/zinc/99/90/15/901999015.db2.gz KVUDYIVMVIRPHN-NEPJUHHUSA-N 2 2 296.415 -0.123 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CC[C@H](N(C)C(=O)C2([NH+](C)C)CCC2)C1 ZINC001400709182 901999025 /nfs/dbraw/zinc/99/90/25/901999025.db2.gz KVUDYIVMVIRPHN-NEPJUHHUSA-N 2 2 296.415 -0.123 20 0 CBADLP CC(C)[C@H](C(=O)N(C)[C@@H]1CC[N@H+](CC(N)=O)C1)[NH+](C)C ZINC001400737812 902010606 /nfs/dbraw/zinc/01/06/06/902010606.db2.gz GGVOXYFAVDDLFG-DGCLKSJQSA-N 2 2 284.404 -0.409 20 0 CBADLP CC(C)[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](CC(N)=O)C1)[NH+](C)C ZINC001400737812 902010614 /nfs/dbraw/zinc/01/06/14/902010614.db2.gz GGVOXYFAVDDLFG-DGCLKSJQSA-N 2 2 284.404 -0.409 20 0 CBADLP CC[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@@H](C)C(=O)N(C)C ZINC001400844411 902025823 /nfs/dbraw/zinc/02/58/23/902025823.db2.gz BYKPCDRTWVZDQL-WDEREUQCSA-N 2 2 295.387 -0.087 20 0 CBADLP CC[C@@H](C(=O)NC[C@H]1C[N@H+](CCOC)CCO1)[NH+](C)C ZINC001401173447 902071075 /nfs/dbraw/zinc/07/10/75/902071075.db2.gz XULSVERSQJZXGM-STQMWFEESA-N 2 2 287.404 -0.210 20 0 CBADLP CC[C@@H](C(=O)NC[C@H]1C[N@@H+](CCOC)CCO1)[NH+](C)C ZINC001401173447 902071087 /nfs/dbraw/zinc/07/10/87/902071087.db2.gz XULSVERSQJZXGM-STQMWFEESA-N 2 2 287.404 -0.210 20 0 CBADLP C[C@H](C[NH2+]CC(=O)N(C)C)N(C)C(=O)CCn1cc[nH+]c1 ZINC001401233625 902086099 /nfs/dbraw/zinc/08/60/99/902086099.db2.gz OKPIDQCHOFTDRH-GFCCVEGCSA-N 2 2 295.387 -0.202 20 0 CBADLP CC[C@H]([NH2+]C[C@@H](C)N(C)C(=O)Cc1[nH]cc[nH+]1)C(N)=O ZINC001401261218 902097762 /nfs/dbraw/zinc/09/77/62/902097762.db2.gz YWLNBWXXWKMSFA-ZJUUUORDSA-N 2 2 281.360 -0.347 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]([NH2+]CCO)C(C)C)C1 ZINC001401350023 902105710 /nfs/dbraw/zinc/10/57/10/902105710.db2.gz MLXCZJKPAHIIDO-OLZOCXBDSA-N 2 2 287.404 -0.570 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]([NH2+]CCO)C(C)C)C1 ZINC001401350023 902105718 /nfs/dbraw/zinc/10/57/18/902105718.db2.gz MLXCZJKPAHIIDO-OLZOCXBDSA-N 2 2 287.404 -0.570 20 0 CBADLP CC[C@@H]([NH2+][C@H](CNC(=O)Cn1cc[nH+]c1)C(C)C)C(N)=O ZINC001401359027 902108361 /nfs/dbraw/zinc/10/83/61/902108361.db2.gz XXCWOUJDUYPOJU-VXGBXAGGSA-N 2 2 295.387 -0.123 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001401438536 902124352 /nfs/dbraw/zinc/12/43/52/902124352.db2.gz NQBYMVWWYVRSBR-CYBMUJFWSA-N 2 2 298.431 -0.147 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001401438536 902124357 /nfs/dbraw/zinc/12/43/57/902124357.db2.gz NQBYMVWWYVRSBR-CYBMUJFWSA-N 2 2 298.431 -0.147 20 0 CBADLP CC(C)NC(=O)C[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001401438536 902124362 /nfs/dbraw/zinc/12/43/62/902124362.db2.gz NQBYMVWWYVRSBR-CYBMUJFWSA-N 2 2 298.431 -0.147 20 0 CBADLP CC(C)NC(=O)C[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001401438536 902124367 /nfs/dbraw/zinc/12/43/67/902124367.db2.gz NQBYMVWWYVRSBR-CYBMUJFWSA-N 2 2 298.431 -0.147 20 0 CBADLP Cc1nc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CCC[N@H+]2C)co1 ZINC001401489753 902133808 /nfs/dbraw/zinc/13/38/08/902133808.db2.gz FQPSLUDGQSKIDO-QWHCGFSZSA-N 2 2 296.371 -0.356 20 0 CBADLP Cc1nc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CCC[N@@H+]2C)co1 ZINC001401489753 902133817 /nfs/dbraw/zinc/13/38/17/902133817.db2.gz FQPSLUDGQSKIDO-QWHCGFSZSA-N 2 2 296.371 -0.356 20 0 CBADLP Cc1oncc1C[NH2+]C[C@@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001401558956 902166791 /nfs/dbraw/zinc/16/67/91/902166791.db2.gz BCDHFLUECKEMCJ-GFCCVEGCSA-N 2 2 293.327 -0.484 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@H](O)C[NH2+]Cc1ccns1 ZINC001401569513 902172752 /nfs/dbraw/zinc/17/27/52/902172752.db2.gz IFUHMLCZMMQUTK-JTQLQIEISA-N 2 2 295.368 -0.324 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)CC[NH2+][C@H]1CCNC1=O ZINC001401598837 902181735 /nfs/dbraw/zinc/18/17/35/902181735.db2.gz HJTPRVDXBHRSQU-ONGXEEELSA-N 2 2 293.371 -0.366 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]CC[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001401593578 902182977 /nfs/dbraw/zinc/18/29/77/902182977.db2.gz AKZCBUSOTYKRLU-MWLCHTKSSA-N 2 2 295.387 -0.120 20 0 CBADLP C[C@@H](C[NH2+]Cc1cncn1C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001401664608 902213326 /nfs/dbraw/zinc/21/33/26/902213326.db2.gz BOYLDNVKFSASMO-WCQYABFASA-N 2 2 295.387 -0.655 20 0 CBADLP C[C@@H](C[NH2+]Cc1cncn1C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001401664608 902213339 /nfs/dbraw/zinc/21/33/39/902213339.db2.gz BOYLDNVKFSASMO-WCQYABFASA-N 2 2 295.387 -0.655 20 0 CBADLP CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001401713266 902240792 /nfs/dbraw/zinc/24/07/92/902240792.db2.gz QSDCZTULXSCIIB-MNOVXSKESA-N 2 2 295.387 -0.181 20 0 CBADLP CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001401713266 902240810 /nfs/dbraw/zinc/24/08/10/902240810.db2.gz QSDCZTULXSCIIB-MNOVXSKESA-N 2 2 295.387 -0.181 20 0 CBADLP C[C@@H](C[NH2+]Cc1cn(C)nn1)NC(=O)Cn1cc[nH+]c1 ZINC001401725018 902246444 /nfs/dbraw/zinc/24/64/44/902246444.db2.gz AUSPUFSIEZISRI-JTQLQIEISA-N 2 2 277.332 -0.694 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@@H](C)C[NH2+]Cc1cnn(C)n1 ZINC001401719152 902246517 /nfs/dbraw/zinc/24/65/17/902246517.db2.gz ILERCNDAOWUKIE-JTQLQIEISA-N 2 2 291.359 -0.385 20 0 CBADLP C[C@@H](C[NH2+]Cc1cncn1C)NC(=O)Cn1cc[nH+]c1 ZINC001401727215 902250613 /nfs/dbraw/zinc/25/06/13/902250613.db2.gz JLGXLXLYRCWRFD-NSHDSACASA-N 2 2 276.344 -0.089 20 0 CBADLP CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001402084554 902349884 /nfs/dbraw/zinc/34/98/84/902349884.db2.gz XBMMBUTYPQAPIA-OLZOCXBDSA-N 2 2 296.415 -0.203 20 0 CBADLP CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001402084554 902349893 /nfs/dbraw/zinc/34/98/93/902349893.db2.gz XBMMBUTYPQAPIA-OLZOCXBDSA-N 2 2 296.415 -0.203 20 0 CBADLP CCNC(=O)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001402084554 902349904 /nfs/dbraw/zinc/34/99/04/902349904.db2.gz XBMMBUTYPQAPIA-OLZOCXBDSA-N 2 2 296.415 -0.203 20 0 CBADLP CCNC(=O)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001402084554 902349915 /nfs/dbraw/zinc/34/99/15/902349915.db2.gz XBMMBUTYPQAPIA-OLZOCXBDSA-N 2 2 296.415 -0.203 20 0 CBADLP CO[C@@H](C)C[NH+]1CC(O)(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001402374585 902438588 /nfs/dbraw/zinc/43/85/88/902438588.db2.gz SSFVVCUZBYMASG-QWHCGFSZSA-N 2 2 299.415 -0.474 20 0 CBADLP CO[C@@H](C)C[NH+]1CC(O)(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001402374585 902438591 /nfs/dbraw/zinc/43/85/91/902438591.db2.gz SSFVVCUZBYMASG-QWHCGFSZSA-N 2 2 299.415 -0.474 20 0 CBADLP CC[C@H](C(=O)N[C@H]1COC2(C[NH+](CCCO)C2)C1)[NH+](C)C ZINC001402727323 902508588 /nfs/dbraw/zinc/50/85/88/902508588.db2.gz PSHMFQYEACNCJA-CHWSQXEVSA-N 2 2 299.415 -0.332 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NC[C@@H](C)[NH2+]Cc1cn(C)nn1 ZINC001402944525 902567289 /nfs/dbraw/zinc/56/72/89/902567289.db2.gz FBBAYZRUTPQHDD-SNVBAGLBSA-N 2 2 291.359 -0.385 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)[NH2+]CC(N)=O ZINC001402938511 902569399 /nfs/dbraw/zinc/56/93/99/902569399.db2.gz MAUOTPFTERELCA-NXEZZACHSA-N 2 2 279.344 -0.975 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001402994007 902586849 /nfs/dbraw/zinc/58/68/49/902586849.db2.gz YSVIJAIZBNZVFO-MNOVXSKESA-N 2 2 281.360 -0.498 20 0 CBADLP CNC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001403043593 902597679 /nfs/dbraw/zinc/59/76/79/902597679.db2.gz ZGHYUJIRSFYBCE-GHMZBOCLSA-N 2 2 295.387 -0.419 20 0 CBADLP CNC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001403043597 902598193 /nfs/dbraw/zinc/59/81/93/902598193.db2.gz ZGHYUJIRSFYBCE-QWRGUYRKSA-N 2 2 295.387 -0.419 20 0 CBADLP CCN(C)C(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001403053116 902601512 /nfs/dbraw/zinc/60/15/12/902601512.db2.gz NQVRGWVRFONWFL-WDEREUQCSA-N 2 2 295.387 -0.087 20 0 CBADLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+][C@@H]1CCN(C)C1=O ZINC001403088374 902613056 /nfs/dbraw/zinc/61/30/56/902613056.db2.gz VFTOETJBGHKLCX-CMPLNLGQSA-N 2 2 293.371 -0.712 20 0 CBADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CCN1CCCC1=O ZINC001403129784 902622506 /nfs/dbraw/zinc/62/25/06/902622506.db2.gz FKOJVZPAZVHBFG-GFCCVEGCSA-N 2 2 293.371 -0.400 20 0 CBADLP C[C@@H]([NH2+][C@@H](C)CNC(=O)Cn1cc[nH+]c1)c1nncn1C ZINC001403149756 902631872 /nfs/dbraw/zinc/63/18/72/902631872.db2.gz WXZUJIJFCWEQHG-WDEREUQCSA-N 2 2 291.359 -0.133 20 0 CBADLP CC[C@H](C(N)=O)[N@H+](C)[C@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001403207335 902647017 /nfs/dbraw/zinc/64/70/17/902647017.db2.gz UXXIYVQGPBMOQW-ZYHUDNBSSA-N 2 2 295.387 -0.108 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+](C)[C@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001403207335 902647025 /nfs/dbraw/zinc/64/70/25/902647025.db2.gz UXXIYVQGPBMOQW-ZYHUDNBSSA-N 2 2 295.387 -0.108 20 0 CBADLP CNC(=O)[C@H](C)[N@H+](C)[C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001403216077 902650319 /nfs/dbraw/zinc/65/03/19/902650319.db2.gz JLSXGLMCZJIOHF-QWRGUYRKSA-N 2 2 281.360 -0.546 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001403216077 902650331 /nfs/dbraw/zinc/65/03/31/902650331.db2.gz JLSXGLMCZJIOHF-QWRGUYRKSA-N 2 2 281.360 -0.546 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001403240008 902659996 /nfs/dbraw/zinc/65/99/96/902659996.db2.gz JKZZRNBRIMOOTE-JTQLQIEISA-N 2 2 279.344 -0.816 20 0 CBADLP COC[C@H](O)C[NH+]1CC([C@H](C)NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001403332583 902668038 /nfs/dbraw/zinc/66/80/38/902668038.db2.gz SYFJNRWUQFNDDC-GXFFZTMASA-N 2 2 296.371 -0.604 20 0 CBADLP CNC(=O)C[NH2+][C@H](C)CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001403382900 902681654 /nfs/dbraw/zinc/68/16/54/902681654.db2.gz XTFGOHMUKPKEAW-SNVBAGLBSA-N 2 2 281.360 -0.427 20 0 CBADLP CNC(=O)C[NH2+][C@H](C)CCNC(=O)CCc1c[nH+]c[nH]1 ZINC001403382900 902681665 /nfs/dbraw/zinc/68/16/65/902681665.db2.gz XTFGOHMUKPKEAW-SNVBAGLBSA-N 2 2 281.360 -0.427 20 0 CBADLP CC[C@@H]([NH2+][C@@H](C)CCNC(=O)Cc1[nH]cc[nH+]1)C(N)=O ZINC001403459443 902694821 /nfs/dbraw/zinc/69/48/21/902694821.db2.gz KUVWPHKVXGNZPT-VHSXEESVSA-N 2 2 281.360 -0.300 20 0 CBADLP C[C@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+]Cc1cnnn1C ZINC001403628053 902755356 /nfs/dbraw/zinc/75/53/56/902755356.db2.gz LHMYRSKDALYONG-LLVKDONJSA-N 2 2 291.359 -0.352 20 0 CBADLP CNC(=O)C[NH2+][C@H](C)CN(C)C(=O)CCc1c[nH+]cn1C ZINC001403637505 902759614 /nfs/dbraw/zinc/75/96/14/902759614.db2.gz VZCTUNMYZVSMRU-LLVKDONJSA-N 2 2 295.387 -0.465 20 0 CBADLP CCNC(=O)C[N@H+](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001403659232 902780153 /nfs/dbraw/zinc/78/01/53/902780153.db2.gz KZAFECSFDPKQGM-UHFFFAOYSA-N 2 2 284.404 -0.488 20 0 CBADLP CCNC(=O)C[N@@H+](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001403659232 902780162 /nfs/dbraw/zinc/78/01/62/902780162.db2.gz KZAFECSFDPKQGM-UHFFFAOYSA-N 2 2 284.404 -0.488 20 0 CBADLP CCN(C)C(=O)C[N@H+](C)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001403666655 902789013 /nfs/dbraw/zinc/78/90/13/902789013.db2.gz PJQYMDLJBQJVTG-UHFFFAOYSA-N 2 2 298.431 -0.146 20 0 CBADLP CCN(C)C(=O)C[N@@H+](C)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001403666655 902789021 /nfs/dbraw/zinc/78/90/21/902789021.db2.gz PJQYMDLJBQJVTG-UHFFFAOYSA-N 2 2 298.431 -0.146 20 0 CBADLP CNC(=O)C[N@H+](C)CCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001403696180 902806570 /nfs/dbraw/zinc/80/65/70/902806570.db2.gz IOBMJRQHSCOOFF-CHWSQXEVSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001403696180 902806586 /nfs/dbraw/zinc/80/65/86/902806586.db2.gz IOBMJRQHSCOOFF-CHWSQXEVSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[NH+](C)CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001403696180 902806598 /nfs/dbraw/zinc/80/65/98/902806598.db2.gz IOBMJRQHSCOOFF-CHWSQXEVSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[NH+](C)CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001403696180 902806608 /nfs/dbraw/zinc/80/66/08/902806608.db2.gz IOBMJRQHSCOOFF-CHWSQXEVSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)[C@@H]1C ZINC001403780731 902848796 /nfs/dbraw/zinc/84/87/96/902848796.db2.gz XUJACJKITSDCIX-MNOVXSKESA-N 2 2 293.371 -0.414 20 0 CBADLP Cn1nccc1CC[N@H+](C)CCNC(=O)Cn1cc[nH+]c1 ZINC001403806809 902853579 /nfs/dbraw/zinc/85/35/79/902853579.db2.gz NTHPMRPAMSEIFD-UHFFFAOYSA-N 2 2 290.371 -0.093 20 0 CBADLP Cn1nccc1CC[N@@H+](C)CCNC(=O)Cn1cc[nH+]c1 ZINC001403806809 902853591 /nfs/dbraw/zinc/85/35/91/902853591.db2.gz NTHPMRPAMSEIFD-UHFFFAOYSA-N 2 2 290.371 -0.093 20 0 CBADLP CC(C)(C)[C@@H](C[NH2+]CC(N)=O)NC(=O)Cn1cc[nH+]c1 ZINC001403961171 902917620 /nfs/dbraw/zinc/91/76/20/902917620.db2.gz UELVLBBXRZLJGC-SNVBAGLBSA-N 2 2 281.360 -0.511 20 0 CBADLP CN(C)C(=O)C[NH2+]C1CC(N(C)C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001404021595 902926951 /nfs/dbraw/zinc/92/69/51/902926951.db2.gz OWMKUMRZDJHHJX-UHFFFAOYSA-N 2 2 293.371 -0.381 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001404093447 902939498 /nfs/dbraw/zinc/93/94/98/902939498.db2.gz YSAROMVADVTJMK-UWVGGRQHSA-N 2 2 279.344 -0.736 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CC[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001404093447 902939508 /nfs/dbraw/zinc/93/95/08/902939508.db2.gz YSAROMVADVTJMK-UWVGGRQHSA-N 2 2 279.344 -0.736 20 0 CBADLP C[C@H]([NH2+]CCN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1)C(N)=O ZINC001404307025 902967858 /nfs/dbraw/zinc/96/78/58/902967858.db2.gz AGNWHGCUUWJAJR-QWRGUYRKSA-N 2 2 293.371 -0.633 20 0 CBADLP COC[C@H](O)C[NH+]1CC(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001404762191 903024451 /nfs/dbraw/zinc/02/44/51/903024451.db2.gz BQCJLHPPNAWTAO-KGLIPLIRSA-N 2 2 297.399 -0.864 20 0 CBADLP CNC(=O)[C@H](C)[NH+]1CC(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001404890463 903050630 /nfs/dbraw/zinc/05/06/30/903050630.db2.gz KTPKVCFJOJKRRF-NSHDSACASA-N 2 2 296.415 -0.347 20 0 CBADLP CC[C@@H](C(=O)NCC1C[NH+](CC(=O)NC(C)C)C1)[NH+](C)C ZINC001404920019 903054828 /nfs/dbraw/zinc/05/48/28/903054828.db2.gz JASZRMZGWWLTOI-ZDUSSCGKSA-N 2 2 298.431 -0.101 20 0 CBADLP CC[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+][C@H]1CCNC1=O ZINC001405254124 903129908 /nfs/dbraw/zinc/12/99/08/903129908.db2.gz MDDHDELESOPFQD-JQWIXIFHSA-N 2 2 293.371 -0.285 20 0 CBADLP CC[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH2+][C@H]1CCNC1=O ZINC001405254124 903129917 /nfs/dbraw/zinc/12/99/17/903129917.db2.gz MDDHDELESOPFQD-JQWIXIFHSA-N 2 2 293.371 -0.285 20 0 CBADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)C[NH2+][C@@H]1CCNC1=O ZINC001405701092 903204589 /nfs/dbraw/zinc/20/45/89/903204589.db2.gz ZIRKCOCRRGRDOS-GXSJLCMTSA-N 2 2 279.344 -0.817 20 0 CBADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+]CC(=O)N1CCC1 ZINC001405721890 903208893 /nfs/dbraw/zinc/20/88/93/903208893.db2.gz SPGRDHRILKCWSB-LBPRGKRZSA-N 2 2 293.371 -0.543 20 0 CBADLP O=C(CC[NH+]1CCCCC1)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001405736804 903213245 /nfs/dbraw/zinc/21/32/45/903213245.db2.gz HDHGPANIJHAFFM-CQSZACIVSA-N 2 2 299.415 -0.328 20 0 CBADLP O=C(CC[NH+]1CCCCC1)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001405736804 903213235 /nfs/dbraw/zinc/21/32/35/903213235.db2.gz HDHGPANIJHAFFM-CQSZACIVSA-N 2 2 299.415 -0.328 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)CCc1[nH+]ccn1C ZINC001405850710 903238959 /nfs/dbraw/zinc/23/89/59/903238959.db2.gz PEBXSOZVAKUBKE-LLVKDONJSA-N 2 2 295.387 -0.465 20 0 CBADLP CC[C@H]([NH2+]C[C@H](C)N(C)C(=O)Cc1c[nH+]c[nH]1)C(N)=O ZINC001405876853 903240434 /nfs/dbraw/zinc/24/04/34/903240434.db2.gz RDICICJKXQRKSD-ONGXEEELSA-N 2 2 281.360 -0.347 20 0 CBADLP CNC(=O)C[NH2+][C@H](CNC(=O)Cc1[nH]c[nH+]c1C)C(C)C ZINC001406072211 903261643 /nfs/dbraw/zinc/26/16/43/903261643.db2.gz UQCNUDAKRMTTLC-GFCCVEGCSA-N 2 2 295.387 -0.263 20 0 CBADLP CNC(=O)[C@H](C)[N@H+](C)CCN(C)C(=O)Cn1c[nH+]cc1C ZINC001406115499 903275337 /nfs/dbraw/zinc/27/53/37/903275337.db2.gz NBMQYJPMJJCGNW-LBPRGKRZSA-N 2 2 295.387 -0.284 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+](C)CCN(C)C(=O)Cn1c[nH+]cc1C ZINC001406115499 903275351 /nfs/dbraw/zinc/27/53/51/903275351.db2.gz NBMQYJPMJJCGNW-LBPRGKRZSA-N 2 2 295.387 -0.284 20 0 CBADLP CN(CC[N@H+](C)CC(N)=O)C(=O)C1CC[NH+](C)CC1 ZINC001406134724 903276826 /nfs/dbraw/zinc/27/68/26/903276826.db2.gz PFEFJVVNXYIGFR-UHFFFAOYSA-N 2 2 270.377 -0.796 20 0 CBADLP CN(CC[N@@H+](C)CC(N)=O)C(=O)C1CC[NH+](C)CC1 ZINC001406134724 903276834 /nfs/dbraw/zinc/27/68/34/903276834.db2.gz PFEFJVVNXYIGFR-UHFFFAOYSA-N 2 2 270.377 -0.796 20 0 CBADLP COC[C@@H](O)C[N@H+](C)CCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001406148734 903278731 /nfs/dbraw/zinc/27/87/31/903278731.db2.gz FZXIRGURPQMAER-NSHDSACASA-N 2 2 284.360 -0.650 20 0 CBADLP COC[C@@H](O)C[N@@H+](C)CCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001406148734 903278746 /nfs/dbraw/zinc/27/87/46/903278746.db2.gz FZXIRGURPQMAER-NSHDSACASA-N 2 2 284.360 -0.650 20 0 CBADLP CC(C)[C@@H](C(=O)N(C)CC[N@H+](C)CC(N)=O)[NH+]1CCCC1 ZINC001406174306 903287145 /nfs/dbraw/zinc/28/71/45/903287145.db2.gz UUKAGDLXCDLGNU-AWEZNQCLSA-N 2 2 298.431 -0.018 20 0 CBADLP CC(C)[C@@H](C(=O)N(C)CC[N@@H+](C)CC(N)=O)[NH+]1CCCC1 ZINC001406174306 903287158 /nfs/dbraw/zinc/28/71/58/903287158.db2.gz UUKAGDLXCDLGNU-AWEZNQCLSA-N 2 2 298.431 -0.018 20 0 CBADLP CNC(=O)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001406185973 903289727 /nfs/dbraw/zinc/28/97/27/903289727.db2.gz KIEJPWXSKBLVPE-PWSUYJOCSA-N 2 2 293.371 -0.427 20 0 CBADLP CCN(CC[NH2+][C@@H](C)C(N)=O)C(=O)CCc1[nH+]ccn1C ZINC001406321170 903353285 /nfs/dbraw/zinc/35/32/85/903353285.db2.gz ZMWNJLFNAZRTAZ-NSHDSACASA-N 2 2 295.387 -0.335 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001406387145 903385973 /nfs/dbraw/zinc/38/59/73/903385973.db2.gz RMFRYIANSKWHPM-SNVBAGLBSA-N 2 2 281.360 -0.807 20 0 CBADLP C[C@H](C[NH2+][C@H]1CCCN(C)C1=O)NC(=O)Cc1c[nH]c[nH+]1 ZINC001406410865 903395371 /nfs/dbraw/zinc/39/53/71/903395371.db2.gz RLRUYDWAJRXJOS-PWSUYJOCSA-N 2 2 293.371 -0.333 20 0 CBADLP COC[C@H](O)C[NH2+]C[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001406411193 903395849 /nfs/dbraw/zinc/39/58/49/903395849.db2.gz MKWQBAOBZUWLHB-NXEZZACHSA-N 2 2 270.333 -0.946 20 0 CBADLP C[C@@H]([NH2+]C[C@H](C)NC(=O)c1cccc2[nH+]ccn21)C(N)=O ZINC001406503316 903418846 /nfs/dbraw/zinc/41/88/46/903418846.db2.gz ZUKYZVDTIKLLNE-VHSXEESVSA-N 2 2 289.339 -0.084 20 0 CBADLP C[C@@H](C[NH2+][C@@H]1CCN(C)C1=O)NC(=O)Cc1c[nH+]cn1C ZINC001406543845 903430077 /nfs/dbraw/zinc/43/00/77/903430077.db2.gz LEBKTAPNJHGRAT-CMPLNLGQSA-N 2 2 293.371 -0.712 20 0 CBADLP C[C@@H](C[NH2+]Cc1nccn1C)NC(=O)Cn1cc[nH+]c1 ZINC001406570364 903435511 /nfs/dbraw/zinc/43/55/11/903435511.db2.gz LNCOKTJVPQPMKA-NSHDSACASA-N 2 2 276.344 -0.089 20 0 CBADLP CNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001406613001 903447211 /nfs/dbraw/zinc/44/72/11/903447211.db2.gz TXUVYXVFDXYBRI-GFCCVEGCSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001406613001 903447217 /nfs/dbraw/zinc/44/72/17/903447217.db2.gz TXUVYXVFDXYBRI-GFCCVEGCSA-N 2 2 296.415 -0.203 20 0 CBADLP C[C@H](C[N@H+](C)[C@@H]1CCNC1=O)NC(=O)CCn1cc[nH+]c1 ZINC001406644490 903458914 /nfs/dbraw/zinc/45/89/14/903458914.db2.gz LOJYAMWBTIPZPY-VXGBXAGGSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@H](C[N@@H+](C)[C@@H]1CCNC1=O)NC(=O)CCn1cc[nH+]c1 ZINC001406644490 903458919 /nfs/dbraw/zinc/45/89/19/903458919.db2.gz LOJYAMWBTIPZPY-VXGBXAGGSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@H](O)C[NH2+]C[C@@H]1CCCN1C(=O)Cc1c[nH+]cn1C ZINC001407106886 903544302 /nfs/dbraw/zinc/54/43/02/903544302.db2.gz NGUPRJONGPOEEY-RYUDHWBXSA-N 2 2 280.372 -0.076 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@]1(O)CC[NH+](CCF)C1 ZINC001407353288 903580966 /nfs/dbraw/zinc/58/09/66/903580966.db2.gz JWIBXLOZXUKMED-WCQYABFASA-N 2 2 273.352 -0.397 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@]1(O)CC[NH+](CCF)C1 ZINC001407353288 903580971 /nfs/dbraw/zinc/58/09/71/903580971.db2.gz JWIBXLOZXUKMED-WCQYABFASA-N 2 2 273.352 -0.397 20 0 CBADLP C[NH+]1CCC[C@H]1C(=O)NC[C@]1(O)CC[N@H+](CCF)C1 ZINC001407353288 903580985 /nfs/dbraw/zinc/58/09/85/903580985.db2.gz JWIBXLOZXUKMED-WCQYABFASA-N 2 2 273.352 -0.397 20 0 CBADLP C[NH+]1CCC[C@H]1C(=O)NC[C@]1(O)CC[N@@H+](CCF)C1 ZINC001407353288 903580987 /nfs/dbraw/zinc/58/09/87/903580987.db2.gz JWIBXLOZXUKMED-WCQYABFASA-N 2 2 273.352 -0.397 20 0 CBADLP COCC[N@@H+]1CC[C@@](O)(CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001407369786 903583149 /nfs/dbraw/zinc/58/31/49/903583149.db2.gz RFNGJRVFTCMHSL-CQSZACIVSA-N 2 2 296.371 -0.540 20 0 CBADLP COCC[N@H+]1CC[C@@](O)(CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001407369786 903583161 /nfs/dbraw/zinc/58/31/61/903583161.db2.gz RFNGJRVFTCMHSL-CQSZACIVSA-N 2 2 296.371 -0.540 20 0 CBADLP C[C@H](O)C[NH+]1CC(O)(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001407421945 903603248 /nfs/dbraw/zinc/60/32/48/903603248.db2.gz ZDBCTCMXPCNSQV-RYUDHWBXSA-N 2 2 285.388 -0.986 20 0 CBADLP C[C@H](O)C[NH+]1CC(O)(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001407421945 903603253 /nfs/dbraw/zinc/60/32/53/903603253.db2.gz ZDBCTCMXPCNSQV-RYUDHWBXSA-N 2 2 285.388 -0.986 20 0 CBADLP CO[C@@H](C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001407465364 903613477 /nfs/dbraw/zinc/61/34/77/903613477.db2.gz LCWIJTURJNZHDR-UONOGXRCSA-N 2 2 299.415 -0.066 20 0 CBADLP CO[C@@H](C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001407465364 903613485 /nfs/dbraw/zinc/61/34/85/903613485.db2.gz LCWIJTURJNZHDR-UONOGXRCSA-N 2 2 299.415 -0.066 20 0 CBADLP CNC(=O)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001407537730 903625637 /nfs/dbraw/zinc/62/56/37/903625637.db2.gz HVLZGZAEPKXFRD-RYUDHWBXSA-N 2 2 293.371 -0.544 20 0 CBADLP C[NH+](C)CCC(=O)N1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001407788633 903660172 /nfs/dbraw/zinc/66/01/72/903660172.db2.gz YFXVPLQODNRSNR-NSHDSACASA-N 2 2 293.371 -0.379 20 0 CBADLP CC[N@H+](C)CCC(=O)NC1CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001409108697 903850867 /nfs/dbraw/zinc/85/08/67/903850867.db2.gz ZRLDSFUUDGVCMS-UHFFFAOYSA-N 2 2 293.371 -0.379 20 0 CBADLP CC[N@@H+](C)CCC(=O)NC1CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001409108697 903850879 /nfs/dbraw/zinc/85/08/79/903850879.db2.gz ZRLDSFUUDGVCMS-UHFFFAOYSA-N 2 2 293.371 -0.379 20 0 CBADLP CNC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001409411128 903896854 /nfs/dbraw/zinc/89/68/54/903896854.db2.gz ZSMYECDUJUHNHX-NXEZZACHSA-N 2 2 281.360 -0.429 20 0 CBADLP CNC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001409411128 903896866 /nfs/dbraw/zinc/89/68/66/903896866.db2.gz ZSMYECDUJUHNHX-NXEZZACHSA-N 2 2 281.360 -0.429 20 0 CBADLP CCN(C)C(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001409412983 903897769 /nfs/dbraw/zinc/89/77/69/903897769.db2.gz YIYVSGYBBBEQFB-MNOVXSKESA-N 2 2 295.387 -0.087 20 0 CBADLP CNC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001409411200 903898242 /nfs/dbraw/zinc/89/82/42/903898242.db2.gz ZSMYECDUJUHNHX-ZJUUUORDSA-N 2 2 281.360 -0.429 20 0 CBADLP CNC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001409411200 903898251 /nfs/dbraw/zinc/89/82/51/903898251.db2.gz ZSMYECDUJUHNHX-ZJUUUORDSA-N 2 2 281.360 -0.429 20 0 CBADLP C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@@H](C)[NH2+]CC(=O)N(C)C ZINC001409396278 903898683 /nfs/dbraw/zinc/89/86/83/903898683.db2.gz MLEFARJSSWTBKS-NXEZZACHSA-N 2 2 281.360 -0.477 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH+](C)CC(=O)N(C)C ZINC001409572777 903932634 /nfs/dbraw/zinc/93/26/34/903932634.db2.gz BNTNOPADFDQVRL-STQMWFEESA-N 2 2 298.431 -0.005 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH+](C)CC(=O)N(C)C ZINC001409572777 903932651 /nfs/dbraw/zinc/93/26/51/903932651.db2.gz BNTNOPADFDQVRL-STQMWFEESA-N 2 2 298.431 -0.005 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1CCCC[NH+]1C)[N@H+](C)CC(=O)N(C)C ZINC001409572777 903932665 /nfs/dbraw/zinc/93/26/65/903932665.db2.gz BNTNOPADFDQVRL-STQMWFEESA-N 2 2 298.431 -0.005 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1CCCC[NH+]1C)[N@@H+](C)CC(=O)N(C)C ZINC001409572777 903932678 /nfs/dbraw/zinc/93/26/78/903932678.db2.gz BNTNOPADFDQVRL-STQMWFEESA-N 2 2 298.431 -0.005 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NC[C@H](C)[N@H+](C)[C@H]1CCNC1=O ZINC001409590751 903935061 /nfs/dbraw/zinc/93/50/61/903935061.db2.gz ZBYYEQCDSRMWKT-JQWIXIFHSA-N 2 2 293.371 -0.483 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NC[C@H](C)[N@@H+](C)[C@H]1CCNC1=O ZINC001409590751 903935083 /nfs/dbraw/zinc/93/50/83/903935083.db2.gz ZBYYEQCDSRMWKT-JQWIXIFHSA-N 2 2 293.371 -0.483 20 0 CBADLP C[N@H+](CC(=O)NC1(CCO)C[NH+](CCO)C1)C1CCC1 ZINC001409713171 903962149 /nfs/dbraw/zinc/96/21/49/903962149.db2.gz BDNAVHVLIBYEKI-UHFFFAOYSA-N 2 2 285.388 -0.984 20 0 CBADLP C[N@@H+](CC(=O)NC1(CCO)C[NH+](CCO)C1)C1CCC1 ZINC001409713171 903962160 /nfs/dbraw/zinc/96/21/60/903962160.db2.gz BDNAVHVLIBYEKI-UHFFFAOYSA-N 2 2 285.388 -0.984 20 0 CBADLP C[C@H](O)C[NH+]1CC([C@H](C)NC(=O)Cc2c[nH+]cn2C)C1 ZINC001409970236 903989916 /nfs/dbraw/zinc/98/99/16/903989916.db2.gz RNUKMSVXCXKWLM-QWRGUYRKSA-N 2 2 280.372 -0.220 20 0 CBADLP CNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001410893409 904202212 /nfs/dbraw/zinc/20/22/12/904202212.db2.gz VGAMAFXIAZQLPY-ONGXEEELSA-N 2 2 293.371 -0.414 20 0 CBADLP CNC(=O)C[NH2+]C1CC(N(C)C(=O)CCn2cc[nH+]c2)C1 ZINC001411247513 904273468 /nfs/dbraw/zinc/27/34/68/904273468.db2.gz UYBZOJFVTGZNQL-UHFFFAOYSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@H](CC[NH+](C)C)C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001411768921 904355175 /nfs/dbraw/zinc/35/51/75/904355175.db2.gz QOLNKBAATBLUJZ-VXGBXAGGSA-N 2 2 284.404 -0.360 20 0 CBADLP C[C@H](CC[NH+](C)C)C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001411768921 904355191 /nfs/dbraw/zinc/35/51/91/904355191.db2.gz QOLNKBAATBLUJZ-VXGBXAGGSA-N 2 2 284.404 -0.360 20 0 CBADLP C[N@H+](CC(=O)N[C@H]1Cc2c[nH+]cn2C1)[C@@H]1CCC[C@H]1O ZINC001412154872 904462630 /nfs/dbraw/zinc/46/26/30/904462630.db2.gz HEFYTDQDYYVZFV-CYZMBNFOSA-N 2 2 278.356 -0.231 20 0 CBADLP C[N@@H+](CC(=O)N[C@H]1Cc2c[nH+]cn2C1)[C@@H]1CCC[C@H]1O ZINC001412154872 904462638 /nfs/dbraw/zinc/46/26/38/904462638.db2.gz HEFYTDQDYYVZFV-CYZMBNFOSA-N 2 2 278.356 -0.231 20 0 CBADLP COC(=O)NCCC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC001412326542 904529480 /nfs/dbraw/zinc/52/94/80/904529480.db2.gz JPGJBKGFPWCTEQ-UHFFFAOYSA-N 2 2 288.392 -0.268 20 0 CBADLP COC(=O)NCCC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC001412326542 904529486 /nfs/dbraw/zinc/52/94/86/904529486.db2.gz JPGJBKGFPWCTEQ-UHFFFAOYSA-N 2 2 288.392 -0.268 20 0 CBADLP CC[N@H+]1CCN(C(=O)NC[C@H]2C[NH+](C)CCN2C)[C@H](C)C1 ZINC001414557362 905450703 /nfs/dbraw/zinc/45/07/03/905450703.db2.gz NXGJJLJMYLAQMQ-KGLIPLIRSA-N 2 2 297.447 -0.032 20 0 CBADLP CC[NH+]1CCN(C(=O)NC[C@H]2C[N@H+](C)CCN2C)[C@H](C)C1 ZINC001414557362 905450712 /nfs/dbraw/zinc/45/07/12/905450712.db2.gz NXGJJLJMYLAQMQ-KGLIPLIRSA-N 2 2 297.447 -0.032 20 0 CBADLP CC[NH+]1CCN(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)[C@H](C)C1 ZINC001414557362 905450725 /nfs/dbraw/zinc/45/07/25/905450725.db2.gz NXGJJLJMYLAQMQ-KGLIPLIRSA-N 2 2 297.447 -0.032 20 0 CBADLP CC[NH+](CC)CC(=O)NC1CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001416001749 905691785 /nfs/dbraw/zinc/69/17/85/905691785.db2.gz ZXWKNCSQCPAZEV-UHFFFAOYSA-N 2 2 293.371 -0.379 20 0 CBADLP C[NH+](C)CCC(=O)N1CC[C@@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001417090877 905863723 /nfs/dbraw/zinc/86/37/23/905863723.db2.gz MEMDUGFTIDHABW-GFCCVEGCSA-N 2 2 293.371 -0.379 20 0 CBADLP CCN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001417949647 906118592 /nfs/dbraw/zinc/11/85/92/906118592.db2.gz QJQQVRBEMXDWFL-ZDUSSCGKSA-N 2 2 296.415 -0.249 20 0 CBADLP CCN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001417949647 906118598 /nfs/dbraw/zinc/11/85/98/906118598.db2.gz QJQQVRBEMXDWFL-ZDUSSCGKSA-N 2 2 296.415 -0.249 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001418035856 906140459 /nfs/dbraw/zinc/14/04/59/906140459.db2.gz ZPQCGUPBQITCSE-XQQFMLRXSA-N 2 2 296.415 -0.123 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001418035856 906140466 /nfs/dbraw/zinc/14/04/66/906140466.db2.gz ZPQCGUPBQITCSE-XQQFMLRXSA-N 2 2 296.415 -0.123 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001418111319 906172689 /nfs/dbraw/zinc/17/26/89/906172689.db2.gz MANYUBAJHULQBI-MXWKQRLJSA-N 2 2 279.344 -0.746 20 0 CBADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CCn1cncn1 ZINC001418288987 906260171 /nfs/dbraw/zinc/26/01/71/906260171.db2.gz BFJFDKDYJOXODC-JTQLQIEISA-N 2 2 277.332 -0.662 20 0 CBADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CC(=O)NC(C)(C)C ZINC001418294515 906263301 /nfs/dbraw/zinc/26/33/01/906263301.db2.gz YBZYIJGDNONMLB-SNVBAGLBSA-N 2 2 295.387 -0.039 20 0 CBADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CC(=O)NC(C)(C)C ZINC001418294513 906265307 /nfs/dbraw/zinc/26/53/07/906265307.db2.gz YBZYIJGDNONMLB-JTQLQIEISA-N 2 2 295.387 -0.039 20 0 CBADLP COC[C@@H](O)C[NH2+][C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001418300838 906269495 /nfs/dbraw/zinc/26/94/95/906269495.db2.gz JUZYAHFNTWDPAS-PWSUYJOCSA-N 2 2 284.360 -0.936 20 0 CBADLP CCCNC(=O)C[NH2+][C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001418321372 906277287 /nfs/dbraw/zinc/27/72/87/906277287.db2.gz KUOCKYKMXCAOBI-NSHDSACASA-N 2 2 281.360 -0.496 20 0 CBADLP CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001418351745 906296071 /nfs/dbraw/zinc/29/60/71/906296071.db2.gz GCSGTSZDFMUBNG-NSHDSACASA-N 2 2 293.371 -0.474 20 0 CBADLP CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001418418114 906316011 /nfs/dbraw/zinc/31/60/11/906316011.db2.gz MAWHFNWHJGDPAV-JTQLQIEISA-N 2 2 281.360 -0.427 20 0 CBADLP CCCNC(=O)C[N@H+](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001418495800 906368808 /nfs/dbraw/zinc/36/88/08/906368808.db2.gz UDNXXEDSPKKNLN-UHFFFAOYSA-N 2 2 298.431 -0.098 20 0 CBADLP CCCNC(=O)C[N@@H+](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001418495800 906368829 /nfs/dbraw/zinc/36/88/29/906368829.db2.gz UDNXXEDSPKKNLN-UHFFFAOYSA-N 2 2 298.431 -0.098 20 0 CBADLP CNC(=O)C[N@H+](C)CCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001418508819 906379160 /nfs/dbraw/zinc/37/91/60/906379160.db2.gz DQUZWRKQRBFDTR-UHFFFAOYSA-N 2 2 298.431 -0.099 20 0 CBADLP CNC(=O)C[N@@H+](C)CCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001418508819 906379173 /nfs/dbraw/zinc/37/91/73/906379173.db2.gz DQUZWRKQRBFDTR-UHFFFAOYSA-N 2 2 298.431 -0.099 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N(C)C[C@@H]1CC[NH+]1[C@H]1CCNC1=O ZINC001418605971 906422526 /nfs/dbraw/zinc/42/25/26/906422526.db2.gz QKOALCZMLAROIX-STQMWFEESA-N 2 2 296.415 -0.252 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H]1CC[NH+]1[C@H]1CCNC1=O ZINC001418605971 906422538 /nfs/dbraw/zinc/42/25/38/906422538.db2.gz QKOALCZMLAROIX-STQMWFEESA-N 2 2 296.415 -0.252 20 0 CBADLP CC(C)[NH+](C)CC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@H]1CCNC1=O ZINC001418605971 906422551 /nfs/dbraw/zinc/42/25/51/906422551.db2.gz QKOALCZMLAROIX-STQMWFEESA-N 2 2 296.415 -0.252 20 0 CBADLP CC(C)[NH+](C)CC(=O)N(C)C[C@@H]1CC[N@H+]1[C@H]1CCNC1=O ZINC001418605971 906422559 /nfs/dbraw/zinc/42/25/59/906422559.db2.gz QKOALCZMLAROIX-STQMWFEESA-N 2 2 296.415 -0.252 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N(C)C[C@H]1CC[NH+]1[C@H]1CCNC1=O ZINC001418605952 906423684 /nfs/dbraw/zinc/42/36/84/906423684.db2.gz QKOALCZMLAROIX-OLZOCXBDSA-N 2 2 296.415 -0.252 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N(C)C[C@H]1CC[NH+]1[C@H]1CCNC1=O ZINC001418605952 906423692 /nfs/dbraw/zinc/42/36/92/906423692.db2.gz QKOALCZMLAROIX-OLZOCXBDSA-N 2 2 296.415 -0.252 20 0 CBADLP CC(C)[NH+](C)CC(=O)N(C)C[C@H]1CC[N@@H+]1[C@H]1CCNC1=O ZINC001418605952 906423696 /nfs/dbraw/zinc/42/36/96/906423696.db2.gz QKOALCZMLAROIX-OLZOCXBDSA-N 2 2 296.415 -0.252 20 0 CBADLP CC(C)[NH+](C)CC(=O)N(C)C[C@H]1CC[N@H+]1[C@H]1CCNC1=O ZINC001418605952 906423704 /nfs/dbraw/zinc/42/37/04/906423704.db2.gz QKOALCZMLAROIX-OLZOCXBDSA-N 2 2 296.415 -0.252 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001418638671 906432956 /nfs/dbraw/zinc/43/29/56/906432956.db2.gz MINIGLVNTTUGAJ-JFGNBEQYSA-N 2 2 291.355 -0.675 20 0 CBADLP C[C@H](CC(=O)NC[C@@H]1CC[N@H+](CC(N)=O)C1)n1cc[nH+]c1 ZINC001418681614 906446019 /nfs/dbraw/zinc/44/60/19/906446019.db2.gz GSUOIASSRAQEPB-NEPJUHHUSA-N 2 2 293.371 -0.242 20 0 CBADLP C[C@H](CC(=O)NC[C@@H]1CC[N@@H+](CC(N)=O)C1)n1cc[nH+]c1 ZINC001418681614 906446036 /nfs/dbraw/zinc/44/60/36/906446036.db2.gz GSUOIASSRAQEPB-NEPJUHHUSA-N 2 2 293.371 -0.242 20 0 CBADLP C[C@@H](O)C[NH+]1CC(NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001418993541 906549522 /nfs/dbraw/zinc/54/95/22/906549522.db2.gz KZYAWDDTSXNDIQ-LLVKDONJSA-N 2 2 285.388 -0.722 20 0 CBADLP COC[C@@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1 ZINC001419054464 906580004 /nfs/dbraw/zinc/58/00/04/906580004.db2.gz SHBJFMAPRIINCK-AVGNSLFASA-N 2 2 294.355 -0.825 20 0 CBADLP COC[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1 ZINC001419054464 906580011 /nfs/dbraw/zinc/58/00/11/906580011.db2.gz SHBJFMAPRIINCK-AVGNSLFASA-N 2 2 294.355 -0.825 20 0 CBADLP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+]([C@@H](C)C(N)=O)C1 ZINC001419178726 906629418 /nfs/dbraw/zinc/62/94/18/906629418.db2.gz JSTXGBUGRLAAGA-QWRGUYRKSA-N 2 2 270.377 -0.608 20 0 CBADLP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+]([C@@H](C)C(N)=O)C1 ZINC001419178726 906629423 /nfs/dbraw/zinc/62/94/23/906629423.db2.gz JSTXGBUGRLAAGA-QWRGUYRKSA-N 2 2 270.377 -0.608 20 0 CBADLP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001419178726 906629428 /nfs/dbraw/zinc/62/94/28/906629428.db2.gz JSTXGBUGRLAAGA-QWRGUYRKSA-N 2 2 270.377 -0.608 20 0 CBADLP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001419178726 906629435 /nfs/dbraw/zinc/62/94/35/906629435.db2.gz JSTXGBUGRLAAGA-QWRGUYRKSA-N 2 2 270.377 -0.608 20 0 CBADLP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+]([C@H](C)C(N)=O)C1 ZINC001419178716 906629488 /nfs/dbraw/zinc/62/94/88/906629488.db2.gz JSTXGBUGRLAAGA-GHMZBOCLSA-N 2 2 270.377 -0.608 20 0 CBADLP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+]([C@H](C)C(N)=O)C1 ZINC001419178716 906629496 /nfs/dbraw/zinc/62/94/96/906629496.db2.gz JSTXGBUGRLAAGA-GHMZBOCLSA-N 2 2 270.377 -0.608 20 0 CBADLP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001419178716 906629501 /nfs/dbraw/zinc/62/95/01/906629501.db2.gz JSTXGBUGRLAAGA-GHMZBOCLSA-N 2 2 270.377 -0.608 20 0 CBADLP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001419178716 906629506 /nfs/dbraw/zinc/62/95/06/906629506.db2.gz JSTXGBUGRLAAGA-GHMZBOCLSA-N 2 2 270.377 -0.608 20 0 CBADLP CC[C@H](CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[NH2+]CC(=O)NC ZINC001419238862 906643786 /nfs/dbraw/zinc/64/37/86/906643786.db2.gz CIKWPPFHJASPPG-WDEREUQCSA-N 2 2 295.387 -0.181 20 0 CBADLP CC[C@H](CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[NH2+]CC(=O)NC ZINC001419238862 906643791 /nfs/dbraw/zinc/64/37/91/906643791.db2.gz CIKWPPFHJASPPG-WDEREUQCSA-N 2 2 295.387 -0.181 20 0 CBADLP CC[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1cnn(C)n1 ZINC001419268686 906655391 /nfs/dbraw/zinc/65/53/91/906655391.db2.gz JYKIMTIFWMCTNW-NSHDSACASA-N 2 2 291.359 -0.304 20 0 CBADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]([NH2+]CC(N)=O)C1CC1 ZINC001419289070 906658003 /nfs/dbraw/zinc/65/80/03/906658003.db2.gz AUDDFMAIFCOWIK-CABZTGNLSA-N 2 2 293.371 -0.442 20 0 CBADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]([NH2+]CC(N)=O)C1CC1 ZINC001419289070 906658014 /nfs/dbraw/zinc/65/80/14/906658014.db2.gz AUDDFMAIFCOWIK-CABZTGNLSA-N 2 2 293.371 -0.442 20 0 CBADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]([NH2+]CC(N)=O)C1CC1 ZINC001419289071 906660038 /nfs/dbraw/zinc/66/00/38/906660038.db2.gz AUDDFMAIFCOWIK-JOYOIKCWSA-N 2 2 293.371 -0.442 20 0 CBADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]([NH2+]CC(N)=O)C1CC1 ZINC001419289071 906660047 /nfs/dbraw/zinc/66/00/47/906660047.db2.gz AUDDFMAIFCOWIK-JOYOIKCWSA-N 2 2 293.371 -0.442 20 0 CBADLP CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001419467099 906697362 /nfs/dbraw/zinc/69/73/62/906697362.db2.gz AMXZNIQFOUHBHN-PHIMTYICSA-N 2 2 279.344 -0.675 20 0 CBADLP CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001419467099 906697369 /nfs/dbraw/zinc/69/73/69/906697369.db2.gz AMXZNIQFOUHBHN-PHIMTYICSA-N 2 2 279.344 -0.675 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)C[NH2+]CC(N)=O ZINC001419478028 906701576 /nfs/dbraw/zinc/70/15/76/906701576.db2.gz APRNUXUXWOUFHK-WDEREUQCSA-N 2 2 293.371 -0.727 20 0 CBADLP CCN(C)C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001419515741 906711424 /nfs/dbraw/zinc/71/14/24/906711424.db2.gz SRSGMLGOJBUUAS-TXEJJXNPSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+]CC(=O)NC1CC1 ZINC001419534171 906718293 /nfs/dbraw/zinc/71/82/93/906718293.db2.gz FGFZUWIOUYVUMM-NSHDSACASA-N 2 2 293.371 -0.496 20 0 CBADLP COCC[N@@H+]1CCO[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001419572748 906730031 /nfs/dbraw/zinc/73/00/31/906730031.db2.gz XMJMADTVFYRGPE-ZDUSSCGKSA-N 2 2 287.404 -0.208 20 0 CBADLP COCC[N@H+]1CCO[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001419572748 906730047 /nfs/dbraw/zinc/73/00/47/906730047.db2.gz XMJMADTVFYRGPE-ZDUSSCGKSA-N 2 2 287.404 -0.208 20 0 CBADLP C[NH+](C)C1(C(=O)NC[C@@H]2C[N@H+](CCCO)CCO2)CCC1 ZINC001419585249 906736164 /nfs/dbraw/zinc/73/61/64/906736164.db2.gz WGHXATQQSITPBJ-CYBMUJFWSA-N 2 2 299.415 -0.330 20 0 CBADLP C[NH+](C)C1(C(=O)NC[C@@H]2C[N@@H+](CCCO)CCO2)CCC1 ZINC001419585249 906736175 /nfs/dbraw/zinc/73/61/75/906736175.db2.gz WGHXATQQSITPBJ-CYBMUJFWSA-N 2 2 299.415 -0.330 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@H](C)C[NH2+]CC(=O)N(C)C ZINC001419740520 906796031 /nfs/dbraw/zinc/79/60/31/906796031.db2.gz DVKGAPHRRKUNSU-SNVBAGLBSA-N 2 2 295.387 -0.215 20 0 CBADLP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1cnn(C)n1 ZINC001419767826 906810855 /nfs/dbraw/zinc/81/08/55/906810855.db2.gz DCGCADBSBNKYCG-DGCLKSJQSA-N 2 2 294.403 -0.106 20 0 CBADLP C[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)[NH2+]Cc1cnn(C)n1 ZINC001419767826 906810861 /nfs/dbraw/zinc/81/08/61/906810861.db2.gz DCGCADBSBNKYCG-DGCLKSJQSA-N 2 2 294.403 -0.106 20 0 CBADLP C[C@H](CNC(=O)c1cc(C[NH+](C)C)on1)[NH2+][C@H](C)C(N)=O ZINC001419802313 906818980 /nfs/dbraw/zinc/81/89/80/906818980.db2.gz WCHNNULYEOUZMY-RKDXNWHRSA-N 2 2 297.359 -0.682 20 0 CBADLP C[C@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]CC(=O)N(C)C ZINC001419836191 906833849 /nfs/dbraw/zinc/83/38/49/906833849.db2.gz OYYJMAJBDLKYTN-LLVKDONJSA-N 2 2 281.360 -0.544 20 0 CBADLP C[C@@H]([NH2+]CC(N)=O)[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001419838296 906834559 /nfs/dbraw/zinc/83/45/59/906834559.db2.gz XEPIYCRRKMXMJE-GHMZBOCLSA-N 2 2 293.371 -0.346 20 0 CBADLP NC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001419991856 906890832 /nfs/dbraw/zinc/89/08/32/906890832.db2.gz JVJOZROIRIWPSN-NSHDSACASA-N 2 2 279.344 -0.803 20 0 CBADLP CN(CC[N@H+](C)CC(N)=O)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001420044775 906903980 /nfs/dbraw/zinc/90/39/80/906903980.db2.gz ZHPNEGPJROVRAP-LLVKDONJSA-N 2 2 270.377 -0.796 20 0 CBADLP CN(CC[N@@H+](C)CC(N)=O)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001420044775 906903995 /nfs/dbraw/zinc/90/39/95/906903995.db2.gz ZHPNEGPJROVRAP-LLVKDONJSA-N 2 2 270.377 -0.796 20 0 CBADLP CN(CC[NH+](C)CC(N)=O)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001420044775 906904008 /nfs/dbraw/zinc/90/40/08/906904008.db2.gz ZHPNEGPJROVRAP-LLVKDONJSA-N 2 2 270.377 -0.796 20 0 CBADLP CN(CC[NH+](C)CC(N)=O)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001420044775 906904021 /nfs/dbraw/zinc/90/40/21/906904021.db2.gz ZHPNEGPJROVRAP-LLVKDONJSA-N 2 2 270.377 -0.796 20 0 CBADLP C[C@@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1ncnn1C ZINC001420172286 906986549 /nfs/dbraw/zinc/98/65/49/906986549.db2.gz RKQQEMNSPDZJJZ-NSHDSACASA-N 2 2 291.359 -0.304 20 0 CBADLP Cc1ncc(C[NH2+]C[C@@H](O)CNC(=O)Cn2cc[nH+]c2)o1 ZINC001420206575 907015570 /nfs/dbraw/zinc/01/55/70/907015570.db2.gz RKLUAYLPWRASIY-LLVKDONJSA-N 2 2 293.327 -0.554 20 0 CBADLP CC[C@H](C(N)=O)[N@H+](C)CCNC(=O)CCn1cc[nH+]c1 ZINC001420276434 907067328 /nfs/dbraw/zinc/06/73/28/907067328.db2.gz NXMFXTFLGJQCBI-LLVKDONJSA-N 2 2 281.360 -0.415 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+](C)CCNC(=O)CCn1cc[nH+]c1 ZINC001420276434 907067341 /nfs/dbraw/zinc/06/73/41/907067341.db2.gz NXMFXTFLGJQCBI-LLVKDONJSA-N 2 2 281.360 -0.415 20 0 CBADLP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[NH+](C)CC(N)=O)C1 ZINC001420288549 907071548 /nfs/dbraw/zinc/07/15/48/907071548.db2.gz SXALWXLNAVUDHQ-GFCCVEGCSA-N 2 2 284.404 -0.358 20 0 CBADLP CCC[N@H+]1CCC[C@@H](C(=O)NCC[NH+](C)CC(N)=O)C1 ZINC001420288549 907071559 /nfs/dbraw/zinc/07/15/59/907071559.db2.gz SXALWXLNAVUDHQ-GFCCVEGCSA-N 2 2 284.404 -0.358 20 0 CBADLP CCC[NH+]1CCC[C@@H](C(=O)NCC[N@H+](C)CC(N)=O)C1 ZINC001420288549 907071572 /nfs/dbraw/zinc/07/15/72/907071572.db2.gz SXALWXLNAVUDHQ-GFCCVEGCSA-N 2 2 284.404 -0.358 20 0 CBADLP CCC[NH+]1CCC[C@@H](C(=O)NCC[N@@H+](C)CC(N)=O)C1 ZINC001420288549 907071583 /nfs/dbraw/zinc/07/15/83/907071583.db2.gz SXALWXLNAVUDHQ-GFCCVEGCSA-N 2 2 284.404 -0.358 20 0 CBADLP CCNC(=O)C[N@H+](C)CCNC(=O)[C@@H](CC)[NH+](C)C ZINC001420333606 907106651 /nfs/dbraw/zinc/10/66/51/907106651.db2.gz NNNWCKSVSUCEEA-LLVKDONJSA-N 2 2 272.393 -0.489 20 0 CBADLP CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H](CC)[NH+](C)C ZINC001420333606 907106658 /nfs/dbraw/zinc/10/66/58/907106658.db2.gz NNNWCKSVSUCEEA-LLVKDONJSA-N 2 2 272.393 -0.489 20 0 CBADLP C[C@H](C[NH2+][C@H]1CCCNC1=O)NC(=O)Cc1c[nH+]cn1C ZINC001420367361 907123428 /nfs/dbraw/zinc/12/34/28/907123428.db2.gz QKYUKASLINTQMD-PWSUYJOCSA-N 2 2 293.371 -0.665 20 0 CBADLP CNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001420472593 907174160 /nfs/dbraw/zinc/17/41/60/907174160.db2.gz XXWMPVHNRBRGMR-LBPRGKRZSA-N 2 2 293.371 -0.482 20 0 CBADLP CNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001420472593 907174178 /nfs/dbraw/zinc/17/41/78/907174178.db2.gz XXWMPVHNRBRGMR-LBPRGKRZSA-N 2 2 293.371 -0.482 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001420559089 907208856 /nfs/dbraw/zinc/20/88/56/907208856.db2.gz VADNQCOEZNDIKP-GHMZBOCLSA-N 2 2 293.371 -0.427 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001420559089 907208874 /nfs/dbraw/zinc/20/88/74/907208874.db2.gz VADNQCOEZNDIKP-GHMZBOCLSA-N 2 2 293.371 -0.427 20 0 CBADLP C[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(N)=O ZINC001420722185 907279064 /nfs/dbraw/zinc/27/90/64/907279064.db2.gz CVQBXBUWNXAPGS-GMTAPVOTSA-N 2 2 293.371 -0.555 20 0 CBADLP C[C@H]([NH2+]CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(N)=O ZINC001420722186 907284248 /nfs/dbraw/zinc/28/42/48/907284248.db2.gz CVQBXBUWNXAPGS-HBNTYKKESA-N 2 2 293.371 -0.555 20 0 CBADLP C[C@H]([NH2+]C[C@H](NC(=O)Cc1c[nH]c[nH+]1)C1CC1)C(N)=O ZINC001420772425 907299244 /nfs/dbraw/zinc/29/92/44/907299244.db2.gz QKNOCFZMMVMADM-KWQFWETISA-N 2 2 279.344 -0.690 20 0 CBADLP C[C@@H]([NH2+]C[C@H](NC(=O)Cn1cc[nH+]c1)C1CC1)C(N)=O ZINC001420794675 907303308 /nfs/dbraw/zinc/30/33/08/907303308.db2.gz GKBHQIVRYZFTMR-KOLCDFICSA-N 2 2 279.344 -0.759 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)NC[C@@H]1CC[N@@H+]1CCCO ZINC001420854342 907329351 /nfs/dbraw/zinc/32/93/51/907329351.db2.gz XCZXZVJPRTXVJB-LBPRGKRZSA-N 2 2 280.372 -0.074 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)NC[C@@H]1CC[N@H+]1CCCO ZINC001420854342 907329366 /nfs/dbraw/zinc/32/93/66/907329366.db2.gz XCZXZVJPRTXVJB-LBPRGKRZSA-N 2 2 280.372 -0.074 20 0 CBADLP CC[N@H+](C)CCC(=O)NC[C@H]1CC[NH+]1[C@H](C)C(=O)N(C)C ZINC001420870592 907329858 /nfs/dbraw/zinc/32/98/58/907329858.db2.gz JWGFANJAANWLTJ-CHWSQXEVSA-N 2 2 298.431 -0.005 20 0 CBADLP CC[N@@H+](C)CCC(=O)NC[C@H]1CC[NH+]1[C@H](C)C(=O)N(C)C ZINC001420870592 907329874 /nfs/dbraw/zinc/32/98/74/907329874.db2.gz JWGFANJAANWLTJ-CHWSQXEVSA-N 2 2 298.431 -0.005 20 0 CBADLP CC[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+]1[C@H](C)C(=O)N(C)C ZINC001420870592 907329899 /nfs/dbraw/zinc/32/98/99/907329899.db2.gz JWGFANJAANWLTJ-CHWSQXEVSA-N 2 2 298.431 -0.005 20 0 CBADLP CC[NH+](C)CCC(=O)NC[C@H]1CC[N@H+]1[C@H](C)C(=O)N(C)C ZINC001420870592 907329914 /nfs/dbraw/zinc/32/99/14/907329914.db2.gz JWGFANJAANWLTJ-CHWSQXEVSA-N 2 2 298.431 -0.005 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)NC[C@H]1CC[N@@H+]1CCCO ZINC001420854340 907331623 /nfs/dbraw/zinc/33/16/23/907331623.db2.gz XCZXZVJPRTXVJB-GFCCVEGCSA-N 2 2 280.372 -0.074 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)NC[C@H]1CC[N@H+]1CCCO ZINC001420854340 907331641 /nfs/dbraw/zinc/33/16/41/907331641.db2.gz XCZXZVJPRTXVJB-GFCCVEGCSA-N 2 2 280.372 -0.074 20 0 CBADLP COC[C@@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001420895417 907339492 /nfs/dbraw/zinc/33/94/92/907339492.db2.gz CHRXCDOBDISCSA-OLZOCXBDSA-N 2 2 296.371 -0.611 20 0 CBADLP COC[C@@H](O)C[N@H+]1CC[C@@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001420895417 907339509 /nfs/dbraw/zinc/33/95/09/907339509.db2.gz CHRXCDOBDISCSA-OLZOCXBDSA-N 2 2 296.371 -0.611 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CC[NH+]1[C@H](C)C(=O)N(C)C ZINC001420905975 907346478 /nfs/dbraw/zinc/34/64/78/907346478.db2.gz CTPCIJUIKYMAFZ-OLZOCXBDSA-N 2 2 298.431 -0.006 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CC[NH+]1[C@H](C)C(=O)N(C)C ZINC001420905975 907346499 /nfs/dbraw/zinc/34/64/99/907346499.db2.gz CTPCIJUIKYMAFZ-OLZOCXBDSA-N 2 2 298.431 -0.006 20 0 CBADLP CC(C)[NH+](C)CC(=O)NC[C@@H]1CC[N@@H+]1[C@H](C)C(=O)N(C)C ZINC001420905975 907346518 /nfs/dbraw/zinc/34/65/18/907346518.db2.gz CTPCIJUIKYMAFZ-OLZOCXBDSA-N 2 2 298.431 -0.006 20 0 CBADLP CC(C)[NH+](C)CC(=O)NC[C@@H]1CC[N@H+]1[C@H](C)C(=O)N(C)C ZINC001420905975 907346537 /nfs/dbraw/zinc/34/65/37/907346537.db2.gz CTPCIJUIKYMAFZ-OLZOCXBDSA-N 2 2 298.431 -0.006 20 0 CBADLP O=C(Cn1cc[nH+]c1)NCC1([NH2+]CCCO)CCC1 ZINC001502030661 921319668 /nfs/dbraw/zinc/31/96/68/921319668.db2.gz INVDONHKYSLHLT-UHFFFAOYSA-N 2 2 266.345 -0.106 20 0 CBADLP Cn1cnnc1C[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001421003825 907392918 /nfs/dbraw/zinc/39/29/18/907392918.db2.gz PKFITPXQVPEUID-UHFFFAOYSA-N 2 2 292.387 -0.351 20 0 CBADLP COC[C@@H](O)C[NH+]1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001421050709 907406363 /nfs/dbraw/zinc/40/63/63/907406363.db2.gz KLCVIRKSOPXUDY-STQMWFEESA-N 2 2 285.388 -0.770 20 0 CBADLP COC[C@@H](O)C[NH+]1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001421050709 907406374 /nfs/dbraw/zinc/40/63/74/907406374.db2.gz KLCVIRKSOPXUDY-STQMWFEESA-N 2 2 285.388 -0.770 20 0 CBADLP COC[C@H](O)C[NH+]1CC(NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001421048962 907408499 /nfs/dbraw/zinc/40/84/99/907408499.db2.gz VQCXVXGXQGSQSU-CYBMUJFWSA-N 2 2 285.388 -0.722 20 0 CBADLP COC[C@H](O)C[NH+]1CC(NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001421048962 907408504 /nfs/dbraw/zinc/40/85/04/907408504.db2.gz VQCXVXGXQGSQSU-CYBMUJFWSA-N 2 2 285.388 -0.722 20 0 CBADLP COC[C@H](O)C[NH+]1CC(CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001421144897 907442525 /nfs/dbraw/zinc/44/25/25/907442525.db2.gz FOLZVBSVPNZINQ-CYBMUJFWSA-N 2 2 296.371 -0.602 20 0 CBADLP C[C@]1(C[NH2+]CC(N)=O)CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001421252128 907475207 /nfs/dbraw/zinc/47/52/07/907475207.db2.gz XRODISPHZFIPFJ-CQSZACIVSA-N 2 2 293.371 -0.413 20 0 CBADLP C[C@@]1(CNC(=O)Cn2cc[nH+]c2)CCC[N@H+](CC(N)=O)C1 ZINC001421291312 907484538 /nfs/dbraw/zinc/48/45/38/907484538.db2.gz CLKZPWFVLSELHZ-AWEZNQCLSA-N 2 2 293.371 -0.413 20 0 CBADLP C[C@@]1(CNC(=O)Cn2cc[nH+]c2)CCC[N@@H+](CC(N)=O)C1 ZINC001421291312 907484545 /nfs/dbraw/zinc/48/45/45/907484545.db2.gz CLKZPWFVLSELHZ-AWEZNQCLSA-N 2 2 293.371 -0.413 20 0 CBADLP CC[C@H](CNC(=O)C(C)(C)n1c[nH+]c(C)c1)[NH2+]CC(N)=O ZINC001421418289 907538550 /nfs/dbraw/zinc/53/85/50/907538550.db2.gz IDGWZHLZIKDHSL-LLVKDONJSA-N 2 2 295.387 -0.104 20 0 CBADLP COC[C@@H](C)[NH+]1CC(O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001421415753 907539614 /nfs/dbraw/zinc/53/96/14/907539614.db2.gz DGXNDRVCYRAMLD-VXGBXAGGSA-N 2 2 285.388 -0.722 20 0 CBADLP COC[C@@H](C)[NH+]1CC(O)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001421415753 907539630 /nfs/dbraw/zinc/53/96/30/907539630.db2.gz DGXNDRVCYRAMLD-VXGBXAGGSA-N 2 2 285.388 -0.722 20 0 CBADLP CC[C@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]CC(=O)NC ZINC001421441812 907547038 /nfs/dbraw/zinc/54/70/38/907547038.db2.gz IBABAHOWSIKFQM-LLVKDONJSA-N 2 2 281.360 -0.496 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C[NH2+]Cc1cnon1 ZINC001421676033 907606903 /nfs/dbraw/zinc/60/69/03/907606903.db2.gz KLQRMBLTYFFGGY-ZYHUDNBSSA-N 2 2 297.359 -0.758 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C[NH2+]Cc1cnon1 ZINC001421676033 907606910 /nfs/dbraw/zinc/60/69/10/907606910.db2.gz KLQRMBLTYFFGGY-ZYHUDNBSSA-N 2 2 297.359 -0.758 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)C[NH2+]Cc1cnon1 ZINC001421676027 907608213 /nfs/dbraw/zinc/60/82/13/907608213.db2.gz KLQRMBLTYFFGGY-JQWIXIFHSA-N 2 2 297.359 -0.758 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C[NH2+]Cc1cnon1 ZINC001421676027 907608221 /nfs/dbraw/zinc/60/82/21/907608221.db2.gz KLQRMBLTYFFGGY-JQWIXIFHSA-N 2 2 297.359 -0.758 20 0 CBADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)C[NH2+]Cc1cn(C)nn1 ZINC001421722683 907626761 /nfs/dbraw/zinc/62/67/61/907626761.db2.gz CZIVQRJABVLCTK-JTQLQIEISA-N 2 2 291.359 -0.377 20 0 CBADLP C[C@@H]1CN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC[NH+]1CCO ZINC001421729182 907629396 /nfs/dbraw/zinc/62/93/96/907629396.db2.gz SMSQNVIRHURNQO-KFWWJZLASA-N 2 2 283.416 -0.152 20 0 CBADLP C[C@@H]1CN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC[NH+]1CCO ZINC001421729182 907629401 /nfs/dbraw/zinc/62/94/01/907629401.db2.gz SMSQNVIRHURNQO-KFWWJZLASA-N 2 2 283.416 -0.152 20 0 CBADLP C[C@@H]1CN(CC[NH+]2C[C@H]3CC[C@@H](C2)O3)CC[N@@H+]1CCO ZINC001421729182 907629408 /nfs/dbraw/zinc/62/94/08/907629408.db2.gz SMSQNVIRHURNQO-KFWWJZLASA-N 2 2 283.416 -0.152 20 0 CBADLP C[C@@H]1CN(CC[NH+]2C[C@H]3CC[C@@H](C2)O3)CC[N@H+]1CCO ZINC001421729182 907629413 /nfs/dbraw/zinc/62/94/13/907629413.db2.gz SMSQNVIRHURNQO-KFWWJZLASA-N 2 2 283.416 -0.152 20 0 CBADLP CC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](CCO)CCO1 ZINC001421797644 907649081 /nfs/dbraw/zinc/64/90/81/907649081.db2.gz IHHOAJWZUBKFRQ-GFCCVEGCSA-N 2 2 273.377 -0.863 20 0 CBADLP CC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+](CCO)CCO1 ZINC001421797644 907649094 /nfs/dbraw/zinc/64/90/94/907649094.db2.gz IHHOAJWZUBKFRQ-GFCCVEGCSA-N 2 2 273.377 -0.863 20 0 CBADLP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001421797644 907649104 /nfs/dbraw/zinc/64/91/04/907649104.db2.gz IHHOAJWZUBKFRQ-GFCCVEGCSA-N 2 2 273.377 -0.863 20 0 CBADLP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001421797644 907649113 /nfs/dbraw/zinc/64/91/13/907649113.db2.gz IHHOAJWZUBKFRQ-GFCCVEGCSA-N 2 2 273.377 -0.863 20 0 CBADLP C[C@H](C(N)=O)[N@H+](C)CCCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001421893219 907674079 /nfs/dbraw/zinc/67/40/79/907674079.db2.gz VGTCXTBYTCAFLI-SNVBAGLBSA-N 2 2 281.360 -0.394 20 0 CBADLP C[C@H](C(N)=O)[N@@H+](C)CCCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001421893219 907674091 /nfs/dbraw/zinc/67/40/91/907674091.db2.gz VGTCXTBYTCAFLI-SNVBAGLBSA-N 2 2 281.360 -0.394 20 0 CBADLP COCC[NH+]1CC2(C1)C[C@H](NC(=O)CCC[NH+](C)C)CO2 ZINC001421928841 907680806 /nfs/dbraw/zinc/68/08/06/907680806.db2.gz KNZPAFMYNXVQIH-ZDUSSCGKSA-N 2 2 299.415 -0.066 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001421953177 907689369 /nfs/dbraw/zinc/68/93/69/907689369.db2.gz FWRSIVYJXRMASV-NXEZZACHSA-N 2 2 281.360 -0.477 20 0 CBADLP C[C@@H](C[NH2+][C@H]1CCN(C)C1=O)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001421966736 907693995 /nfs/dbraw/zinc/69/39/95/907693995.db2.gz YYLBOGFXLMHZLL-JQWIXIFHSA-N 2 2 293.371 -0.381 20 0 CBADLP C[C@H](C[NH2+][C@@H]1CCN(C)C1=O)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001421966742 907696151 /nfs/dbraw/zinc/69/61/51/907696151.db2.gz YYLBOGFXLMHZLL-ZYHUDNBSSA-N 2 2 293.371 -0.381 20 0 CBADLP C[C@H](C[NH2+][C@@H](C)C(N)=O)N(C)C(=O)Cc1c[nH+]cn1C ZINC001421999509 907702249 /nfs/dbraw/zinc/70/22/49/907702249.db2.gz WBRXTJYAQYKQAV-ZJUUUORDSA-N 2 2 281.360 -0.727 20 0 CBADLP CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)Cn1cc[nH+]c1 ZINC001422004411 907704000 /nfs/dbraw/zinc/70/40/00/907704000.db2.gz NTJJDBDPSDWWPI-NSHDSACASA-N 2 2 281.360 -0.544 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@@H]1C[N@H+](C)CCO ZINC001422244393 907757925 /nfs/dbraw/zinc/75/79/25/907757925.db2.gz HUGSZPPPZTWRTO-GFCCVEGCSA-N 2 2 280.372 -0.122 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@@H]1C[N@@H+](C)CCO ZINC001422244393 907757930 /nfs/dbraw/zinc/75/79/30/907757930.db2.gz HUGSZPPPZTWRTO-GFCCVEGCSA-N 2 2 280.372 -0.122 20 0 CBADLP CCNC(=O)C[N@H+](C)CCN(C)C(=O)C[NH+]1CCCC1 ZINC001422241414 907759635 /nfs/dbraw/zinc/75/96/35/907759635.db2.gz ZCMYDBDZZWDJNX-UHFFFAOYSA-N 2 2 284.404 -0.392 20 0 CBADLP CCNC(=O)C[N@@H+](C)CCN(C)C(=O)C[NH+]1CCCC1 ZINC001422241414 907759643 /nfs/dbraw/zinc/75/96/43/907759643.db2.gz ZCMYDBDZZWDJNX-UHFFFAOYSA-N 2 2 284.404 -0.392 20 0 CBADLP CCCNC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001422371217 907829346 /nfs/dbraw/zinc/82/93/46/907829346.db2.gz HOWNICXEKWKMNX-QWRGUYRKSA-N 2 2 295.387 -0.039 20 0 CBADLP COC[C@H](C)[NH2+]C[C@H](O)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001422385391 907836296 /nfs/dbraw/zinc/83/62/96/907836296.db2.gz AAOZIKAYPBHZNH-ONGXEEELSA-N 2 2 284.360 -0.638 20 0 CBADLP CO[C@@H](C)C[NH2+]C[C@H](O)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001422389288 907838749 /nfs/dbraw/zinc/83/87/49/907838749.db2.gz IHRQVXYTJFSDAK-ONGXEEELSA-N 2 2 284.360 -0.638 20 0 CBADLP C[C@H](CC[NH2+][C@@H](C)C(N)=O)NC(=O)CCc1c[nH]c[nH+]1 ZINC001422420678 907847297 /nfs/dbraw/zinc/84/72/97/907847297.db2.gz QWDQMTKJTLYWSJ-ZJUUUORDSA-N 2 2 281.360 -0.300 20 0 CBADLP C[C@H](CC[NH2+][C@@H](C)C(N)=O)NC(=O)CCc1c[nH+]c[nH]1 ZINC001422420678 907847307 /nfs/dbraw/zinc/84/73/07/907847307.db2.gz QWDQMTKJTLYWSJ-ZJUUUORDSA-N 2 2 281.360 -0.300 20 0 CBADLP C[C@@H](CC[NH2+][C@@H]1CCNC1=O)NC(=O)CCn1cc[nH+]c1 ZINC001422430263 907852771 /nfs/dbraw/zinc/85/27/71/907852771.db2.gz SEWAFKSFMPUXNN-NWDGAFQWSA-N 2 2 293.371 -0.354 20 0 CBADLP C[C@@H](CC[NH2+][C@@H](C)C(=O)N(C)C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001422435935 907857373 /nfs/dbraw/zinc/85/73/73/907857373.db2.gz YLHDOODRLVGWTM-QWRGUYRKSA-N 2 2 295.387 -0.087 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)C[NH2+]CC(=O)NC(C)C ZINC001422593414 907937022 /nfs/dbraw/zinc/93/70/22/907937022.db2.gz DMAPEGWAZBQXLC-SNVBAGLBSA-N 2 2 295.387 -0.120 20 0 CBADLP Cc1nnc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)o1 ZINC001422613051 907944427 /nfs/dbraw/zinc/94/44/27/907944427.db2.gz FJABJKTZALXOIS-MWLCHTKSSA-N 2 2 281.360 -0.076 20 0 CBADLP Cc1nnc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)o1 ZINC001422613051 907944422 /nfs/dbraw/zinc/94/44/22/907944422.db2.gz FJABJKTZALXOIS-MWLCHTKSSA-N 2 2 281.360 -0.076 20 0 CBADLP COC[C@@H](C)[NH+]1CC(CCO)(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001422649264 907967521 /nfs/dbraw/zinc/96/75/21/907967521.db2.gz YLERQRVZTXKGDZ-CHWSQXEVSA-N 2 2 299.415 -0.474 20 0 CBADLP COC[C@@H](C)[NH+]1CC(CCO)(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001422649264 907967537 /nfs/dbraw/zinc/96/75/37/907967537.db2.gz YLERQRVZTXKGDZ-CHWSQXEVSA-N 2 2 299.415 -0.474 20 0 CBADLP CC[C@H](C(=O)NC1(CCO)C[NH+](CCCO)C1)[NH+](C)C ZINC001422647504 907968707 /nfs/dbraw/zinc/96/87/07/907968707.db2.gz DRPWVDHHCWPISD-GFCCVEGCSA-N 2 2 287.404 -0.738 20 0 CBADLP CNC(=O)C[NH+]1CC([C@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001422758475 907996284 /nfs/dbraw/zinc/99/62/84/907996284.db2.gz XUHCMBDRIWPGJX-NWDGAFQWSA-N 2 2 296.415 -0.489 20 0 CBADLP CNC(=O)C[NH+]1CC([C@H](C)NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001422758475 907996305 /nfs/dbraw/zinc/99/63/05/907996305.db2.gz XUHCMBDRIWPGJX-NWDGAFQWSA-N 2 2 296.415 -0.489 20 0 CBADLP CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001422758472 907996706 /nfs/dbraw/zinc/99/67/06/907996706.db2.gz XUHCMBDRIWPGJX-NEPJUHHUSA-N 2 2 296.415 -0.489 20 0 CBADLP CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001422758472 907996714 /nfs/dbraw/zinc/99/67/14/907996714.db2.gz XUHCMBDRIWPGJX-NEPJUHHUSA-N 2 2 296.415 -0.489 20 0 CBADLP CC(C)[C@@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+]CC(N)=O ZINC001422964701 908066590 /nfs/dbraw/zinc/06/65/90/908066590.db2.gz VDHIUXIYPGTJRF-LLVKDONJSA-N 2 2 281.360 -0.511 20 0 CBADLP CN(C(=O)CCc1c[nH]c[nH+]1)[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001422989605 908069459 /nfs/dbraw/zinc/06/94/59/908069459.db2.gz POXKPRCLXLLLFB-GFCCVEGCSA-N 2 2 293.371 -0.346 20 0 CBADLP CN(C(=O)CCc1c[nH+]c[nH]1)[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001422989605 908069474 /nfs/dbraw/zinc/06/94/74/908069474.db2.gz POXKPRCLXLLLFB-GFCCVEGCSA-N 2 2 293.371 -0.346 20 0 CBADLP C[N@H+](CC(=O)NC[C@@H]1CC[NH+]1[C@@H]1CCNC1=O)C1CCC1 ZINC001423101500 908105353 /nfs/dbraw/zinc/10/53/53/908105353.db2.gz AMNYCQMTFSANJM-QWHCGFSZSA-N 2 2 294.399 -0.450 20 0 CBADLP C[N@@H+](CC(=O)NC[C@@H]1CC[NH+]1[C@@H]1CCNC1=O)C1CCC1 ZINC001423101500 908105359 /nfs/dbraw/zinc/10/53/59/908105359.db2.gz AMNYCQMTFSANJM-QWHCGFSZSA-N 2 2 294.399 -0.450 20 0 CBADLP C[NH+](CC(=O)NC[C@@H]1CC[N@@H+]1[C@@H]1CCNC1=O)C1CCC1 ZINC001423101500 908105369 /nfs/dbraw/zinc/10/53/69/908105369.db2.gz AMNYCQMTFSANJM-QWHCGFSZSA-N 2 2 294.399 -0.450 20 0 CBADLP C[NH+](CC(=O)NC[C@@H]1CC[N@H+]1[C@@H]1CCNC1=O)C1CCC1 ZINC001423101500 908105378 /nfs/dbraw/zinc/10/53/78/908105378.db2.gz AMNYCQMTFSANJM-QWHCGFSZSA-N 2 2 294.399 -0.450 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001423105570 908110570 /nfs/dbraw/zinc/11/05/70/908110570.db2.gz BFLILFOODDSRHQ-RYUDHWBXSA-N 2 2 296.415 -0.217 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001423105570 908110579 /nfs/dbraw/zinc/11/05/79/908110579.db2.gz BFLILFOODDSRHQ-RYUDHWBXSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)[NH2+][C@H]1CCCNC1=O ZINC001423143497 908119313 /nfs/dbraw/zinc/11/93/13/908119313.db2.gz VXWPPNVEWKSOHK-JQWIXIFHSA-N 2 2 293.371 -0.333 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001423184661 908135639 /nfs/dbraw/zinc/13/56/39/908135639.db2.gz RERZFWZXHFNITP-VXGBXAGGSA-N 2 2 284.404 -0.219 20 0 CBADLP CC[C@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001423184661 908135649 /nfs/dbraw/zinc/13/56/49/908135649.db2.gz RERZFWZXHFNITP-VXGBXAGGSA-N 2 2 284.404 -0.219 20 0 CBADLP CC[C@H](C(N)=O)[NH+]1CC[C@@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001423184661 908135658 /nfs/dbraw/zinc/13/56/58/908135658.db2.gz RERZFWZXHFNITP-VXGBXAGGSA-N 2 2 284.404 -0.219 20 0 CBADLP CC[C@H](C(N)=O)[NH+]1CC[C@@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001423184661 908135662 /nfs/dbraw/zinc/13/56/62/908135662.db2.gz RERZFWZXHFNITP-VXGBXAGGSA-N 2 2 284.404 -0.219 20 0 CBADLP C[C@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+]CC(=O)N1CCC1 ZINC001423187283 908141641 /nfs/dbraw/zinc/14/16/41/908141641.db2.gz QQRCSSIFTZZTON-GFCCVEGCSA-N 2 2 293.371 -0.448 20 0 CBADLP CNC(=O)C[NH2+][C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001502720660 921386380 /nfs/dbraw/zinc/38/63/80/921386380.db2.gz ICGYHYMQKXXBJS-PWSUYJOCSA-N 2 2 293.371 -0.475 20 0 CBADLP CNC(=O)C[NH2+][C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001502720660 921386396 /nfs/dbraw/zinc/38/63/96/921386396.db2.gz ICGYHYMQKXXBJS-PWSUYJOCSA-N 2 2 293.371 -0.475 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](CO)[NH2+]C[C@H]1CCOC1 ZINC001423288916 908192616 /nfs/dbraw/zinc/19/26/16/908192616.db2.gz OVCYLLBATXKEQQ-NEPJUHHUSA-N 2 2 296.371 -0.636 20 0 CBADLP CCC[N@H+](C)CC(=O)NCC1([NH2+]Cc2ncnn2C)CC1 ZINC001423291881 908193232 /nfs/dbraw/zinc/19/32/32/908193232.db2.gz GATCXKJPMREVTG-UHFFFAOYSA-N 2 2 294.403 -0.105 20 0 CBADLP CCC[N@@H+](C)CC(=O)NCC1([NH2+]Cc2ncnn2C)CC1 ZINC001423291881 908193239 /nfs/dbraw/zinc/19/32/39/908193239.db2.gz GATCXKJPMREVTG-UHFFFAOYSA-N 2 2 294.403 -0.105 20 0 CBADLP O=C(C[NH+]1CCCC1)NC[C@H](CO)[NH2+]Cc1ccon1 ZINC001423307555 908197827 /nfs/dbraw/zinc/19/78/27/908197827.db2.gz QDNZKVKBUOGDLP-GFCCVEGCSA-N 2 2 282.344 -0.663 20 0 CBADLP O=C(C[NH+]1CCCC1)NC[C@@H](CO)[NH2+]Cc1ccon1 ZINC001423307557 908199327 /nfs/dbraw/zinc/19/93/27/908199327.db2.gz QDNZKVKBUOGDLP-LBPRGKRZSA-N 2 2 282.344 -0.663 20 0 CBADLP COC[C@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001423472594 908248880 /nfs/dbraw/zinc/24/88/80/908248880.db2.gz ZEVHWYFMUNYRHG-CMPLNLGQSA-N 2 2 284.360 -0.604 20 0 CBADLP COCC[N@H+](C)C[C@H](O)CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001423539909 908270466 /nfs/dbraw/zinc/27/04/66/908270466.db2.gz UBRANJJKVLIEJY-LBPRGKRZSA-N 2 2 298.387 -0.342 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001423539909 908270483 /nfs/dbraw/zinc/27/04/83/908270483.db2.gz UBRANJJKVLIEJY-LBPRGKRZSA-N 2 2 298.387 -0.342 20 0 CBADLP COC[C@H](C)[N@H+](C)C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001423541670 908273264 /nfs/dbraw/zinc/27/32/64/908273264.db2.gz IFHGTEVXEQLAJP-STQMWFEESA-N 2 2 298.387 -0.331 20 0 CBADLP COC[C@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001423541670 908273274 /nfs/dbraw/zinc/27/32/74/908273274.db2.gz IFHGTEVXEQLAJP-STQMWFEESA-N 2 2 298.387 -0.331 20 0 CBADLP C[C@H]([NH2+]C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C(C)(C)C)C(N)=O ZINC001423611562 908291925 /nfs/dbraw/zinc/29/19/25/908291925.db2.gz DJHFPKXHQFAYML-VHSXEESVSA-N 2 2 295.387 -0.054 20 0 CBADLP CNC(=O)C[NH2+]C[C@H](NC(=O)Cn1cc[nH+]c1)C(C)(C)C ZINC001423622394 908297458 /nfs/dbraw/zinc/29/74/58/908297458.db2.gz VHJWDURROVWNRV-NSHDSACASA-N 2 2 295.387 -0.250 20 0 CBADLP C[C@H]1CC[N@H+](CC(=O)NCC2(O)C[NH+](CCCF)C2)C1 ZINC001423872263 908361630 /nfs/dbraw/zinc/36/16/30/908361630.db2.gz SNGGERGSIPEGGZ-LBPRGKRZSA-N 2 2 287.379 -0.149 20 0 CBADLP C[C@H]1CC[N@@H+](CC(=O)NCC2(O)C[NH+](CCCF)C2)C1 ZINC001423872263 908361642 /nfs/dbraw/zinc/36/16/42/908361642.db2.gz SNGGERGSIPEGGZ-LBPRGKRZSA-N 2 2 287.379 -0.149 20 0 CBADLP CO[C@@H](C)C[NH+]1CC(O)(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001423914476 908368597 /nfs/dbraw/zinc/36/85/97/908368597.db2.gz VPCLWGBLSBHQOE-LBPRGKRZSA-N 2 2 287.404 -0.476 20 0 CBADLP CO[C@H](C)C[NH+]1CC(O)(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001423914458 908369202 /nfs/dbraw/zinc/36/92/02/908369202.db2.gz VPCLWGBLSBHQOE-GFCCVEGCSA-N 2 2 287.404 -0.476 20 0 CBADLP O=C(Cn1cc[nH+]c1)NCC1(O)C[NH+](C[C@@H]2CCOC2)C1 ZINC001423917747 908370156 /nfs/dbraw/zinc/37/01/56/908370156.db2.gz CWIHTJFEKVSSIM-LBPRGKRZSA-N 2 2 294.355 -0.918 20 0 CBADLP C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001423980467 908376935 /nfs/dbraw/zinc/37/69/35/908376935.db2.gz WLRIFXQOPDFXTG-GHMZBOCLSA-N 2 2 295.387 -0.087 20 0 CBADLP CCC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001424027872 908393116 /nfs/dbraw/zinc/39/31/16/908393116.db2.gz NHEDKMJGOBLSRC-DZGCQCFKSA-N 2 2 299.415 -0.330 20 0 CBADLP CCC[N@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001424027872 908393133 /nfs/dbraw/zinc/39/31/33/908393133.db2.gz NHEDKMJGOBLSRC-DZGCQCFKSA-N 2 2 299.415 -0.330 20 0 CBADLP CCC[NH+]1CCC[C@@](CO)(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001424027872 908393152 /nfs/dbraw/zinc/39/31/52/908393152.db2.gz NHEDKMJGOBLSRC-DZGCQCFKSA-N 2 2 299.415 -0.330 20 0 CBADLP CCC[NH+]1CCC[C@@](CO)(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001424027872 908393163 /nfs/dbraw/zinc/39/31/63/908393163.db2.gz NHEDKMJGOBLSRC-DZGCQCFKSA-N 2 2 299.415 -0.330 20 0 CBADLP C[N@@H+]1CC[C@@H](C(=O)N[C@]2(CO)CCC[NH+](CCF)C2)C1 ZINC001424043772 908397238 /nfs/dbraw/zinc/39/72/38/908397238.db2.gz PLSZBSQKQIGKLB-TZMCWYRMSA-N 2 2 287.379 -0.149 20 0 CBADLP C[N@H+]1CC[C@@H](C(=O)N[C@]2(CO)CCC[NH+](CCF)C2)C1 ZINC001424043772 908397252 /nfs/dbraw/zinc/39/72/52/908397252.db2.gz PLSZBSQKQIGKLB-TZMCWYRMSA-N 2 2 287.379 -0.149 20 0 CBADLP C[NH+]1CC[C@@H](C(=O)N[C@]2(CO)CCC[N@H+](CCF)C2)C1 ZINC001424043772 908397267 /nfs/dbraw/zinc/39/72/67/908397267.db2.gz PLSZBSQKQIGKLB-TZMCWYRMSA-N 2 2 287.379 -0.149 20 0 CBADLP C[NH+]1CC[C@@H](C(=O)N[C@]2(CO)CCC[N@@H+](CCF)C2)C1 ZINC001424043772 908397283 /nfs/dbraw/zinc/39/72/83/908397283.db2.gz PLSZBSQKQIGKLB-TZMCWYRMSA-N 2 2 287.379 -0.149 20 0 CBADLP CC[C@H](C(=O)N[C@@H]1COC2(C[NH+](CCO)C2)C1)[NH+](C)C ZINC001424371982 908450884 /nfs/dbraw/zinc/45/08/84/908450884.db2.gz ZVJPDBAZHBOTJY-NWDGAFQWSA-N 2 2 285.388 -0.722 20 0 CBADLP CCNC(=O)C[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC001424478861 908463434 /nfs/dbraw/zinc/46/34/34/908463434.db2.gz GBDUWNPXAKCQLY-RYUDHWBXSA-N 2 2 293.371 -0.544 20 0 CBADLP CNC(=O)C[NH+]1CC([C@H](C)NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001425230309 908586824 /nfs/dbraw/zinc/58/68/24/908586824.db2.gz NNQSFASMOQAPJD-NSHDSACASA-N 2 2 296.415 -0.347 20 0 CBADLP CNC(=O)C[NH+]1CC([C@H](C)NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001425230309 908586833 /nfs/dbraw/zinc/58/68/33/908586833.db2.gz NNQSFASMOQAPJD-NSHDSACASA-N 2 2 296.415 -0.347 20 0 CBADLP C[C@H](CN(C)C(=O)CC[NH+](C)C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001425227901 908587033 /nfs/dbraw/zinc/58/70/33/908587033.db2.gz ILIVYFXDLNZABO-LLVKDONJSA-N 2 2 295.387 -0.133 20 0 CBADLP CCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001425236800 908593247 /nfs/dbraw/zinc/59/32/47/908593247.db2.gz RIXPUOQAIQMZLV-YPMHNXCESA-N 2 2 296.415 -0.347 20 0 CBADLP CCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001425236800 908593251 /nfs/dbraw/zinc/59/32/51/908593251.db2.gz RIXPUOQAIQMZLV-YPMHNXCESA-N 2 2 296.415 -0.347 20 0 CBADLP C[C@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+][C@H]1CCCNC1=O ZINC001425693457 908692671 /nfs/dbraw/zinc/69/26/71/908692671.db2.gz KMSBUERHPLDOQF-NEPJUHHUSA-N 2 2 293.371 -0.402 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H](CO)[NH2+]C[C@H]1CCCCO1 ZINC001425818012 908752761 /nfs/dbraw/zinc/75/27/61/908752761.db2.gz GIMAHIPUAHGYCW-CHWSQXEVSA-N 2 2 296.371 -0.412 20 0 CBADLP NC(=O)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001425943764 908784438 /nfs/dbraw/zinc/78/44/38/908784438.db2.gz BXGNQMNETGMSLP-GHMZBOCLSA-N 2 2 293.371 -0.298 20 0 CBADLP NC(=O)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001425943764 908784443 /nfs/dbraw/zinc/78/44/43/908784443.db2.gz BXGNQMNETGMSLP-GHMZBOCLSA-N 2 2 293.371 -0.298 20 0 CBADLP CO[C@@H](C)C[NH2+]C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001426061291 908813355 /nfs/dbraw/zinc/81/33/55/908813355.db2.gz WKXINVWUQYZMBI-RYUDHWBXSA-N 2 2 284.360 -0.673 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NC(=O)Cn1cc[nH+]c1 ZINC001428631178 909151004 /nfs/dbraw/zinc/15/10/04/909151004.db2.gz OHTWHIWFYPKNCX-NWDGAFQWSA-N 2 2 293.371 -0.544 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)Cn1cc[nH+]c1 ZINC001428631178 909151007 /nfs/dbraw/zinc/15/10/07/909151007.db2.gz OHTWHIWFYPKNCX-NWDGAFQWSA-N 2 2 293.371 -0.544 20 0 CBADLP CN(CCNC(=O)Cn1cc[nH+]c1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001429340861 909230449 /nfs/dbraw/zinc/23/04/49/909230449.db2.gz WYYJPIAKYTXKIU-LBPRGKRZSA-N 2 2 293.371 -0.591 20 0 CBADLP CN(CCNC(=O)Cn1cc[nH+]c1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001429340861 909230436 /nfs/dbraw/zinc/23/04/36/909230436.db2.gz WYYJPIAKYTXKIU-LBPRGKRZSA-N 2 2 293.371 -0.591 20 0 CBADLP CC[C@@H](C(=O)N(C)CCNC(=O)Cc1c[nH]c[nH+]1)[NH+](C)C ZINC001429517795 909253623 /nfs/dbraw/zinc/25/36/23/909253623.db2.gz HRUWKJWFVJNKDF-LBPRGKRZSA-N 2 2 295.387 -0.133 20 0 CBADLP CC[N@H+](C)CCC(=O)NCCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001431522678 909495246 /nfs/dbraw/zinc/49/52/46/909495246.db2.gz NDDWPQDXVZPORD-UHFFFAOYSA-N 2 2 295.387 -0.131 20 0 CBADLP CC[N@@H+](C)CCC(=O)NCCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001431522678 909495257 /nfs/dbraw/zinc/49/52/57/909495257.db2.gz NDDWPQDXVZPORD-UHFFFAOYSA-N 2 2 295.387 -0.131 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N1CC2(C1)CC[N@H+](CC(N)=O)C2 ZINC001432624413 909645502 /nfs/dbraw/zinc/64/55/02/909645502.db2.gz RBDJXSDYQAWFAV-UHFFFAOYSA-N 2 2 291.355 -0.789 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N1CC2(C1)CC[N@@H+](CC(N)=O)C2 ZINC001432624413 909645517 /nfs/dbraw/zinc/64/55/17/909645517.db2.gz RBDJXSDYQAWFAV-UHFFFAOYSA-N 2 2 291.355 -0.789 20 0 CBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001433663396 909805054 /nfs/dbraw/zinc/80/50/54/909805054.db2.gz VJCJRMBZKGHTBV-OLZOCXBDSA-N 2 2 296.415 -0.408 20 0 CBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001433663396 909805068 /nfs/dbraw/zinc/80/50/68/909805068.db2.gz VJCJRMBZKGHTBV-OLZOCXBDSA-N 2 2 296.415 -0.408 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CC[NH+](C(C)(C)CO)CC1 ZINC001433868469 909886381 /nfs/dbraw/zinc/88/63/81/909886381.db2.gz GCHKLEHQLRMWJV-UHFFFAOYSA-N 2 2 280.372 -0.122 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+](C)[C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001506069822 921532891 /nfs/dbraw/zinc/53/28/91/921532891.db2.gz WQQDBXVVUQSRLW-QWRGUYRKSA-N 2 2 281.360 -0.417 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+](C)[C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001506069822 921532898 /nfs/dbraw/zinc/53/28/98/921532898.db2.gz WQQDBXVVUQSRLW-QWRGUYRKSA-N 2 2 281.360 -0.417 20 0 CBADLP C[C@@H](O)C[NH+]1CC(CCO)(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001506125589 921550070 /nfs/dbraw/zinc/55/00/70/921550070.db2.gz WHIBVILGKTZDGI-OLZOCXBDSA-N 2 2 299.415 -0.738 20 0 CBADLP C[C@@H](O)C[NH+]1CC(CCO)(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001506125589 921550081 /nfs/dbraw/zinc/55/00/81/921550081.db2.gz WHIBVILGKTZDGI-OLZOCXBDSA-N 2 2 299.415 -0.738 20 0 CBADLP COC[C@](C)(CC(=O)OC)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC001434461687 910198135 /nfs/dbraw/zinc/19/81/35/910198135.db2.gz LOJYQTYCNPNPGU-JSGCOSHPSA-N 2 2 288.388 -0.001 20 0 CBADLP COC[C@](C)(CC(=O)OC)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC001434461687 910198147 /nfs/dbraw/zinc/19/81/47/910198147.db2.gz LOJYQTYCNPNPGU-JSGCOSHPSA-N 2 2 288.388 -0.001 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001436893843 910504312 /nfs/dbraw/zinc/50/43/12/910504312.db2.gz FLDQWLABBDJRTD-DLOVCJGASA-N 2 2 293.371 -0.286 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001436893843 910504321 /nfs/dbraw/zinc/50/43/21/910504321.db2.gz FLDQWLABBDJRTD-DLOVCJGASA-N 2 2 293.371 -0.286 20 0 CBADLP CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1)C(N)=O ZINC001436951812 910516448 /nfs/dbraw/zinc/51/64/48/910516448.db2.gz IRBQEKLLIOTBKI-GRYCIOLGSA-N 2 2 293.371 -0.157 20 0 CBADLP CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1)C(N)=O ZINC001436951812 910516463 /nfs/dbraw/zinc/51/64/63/910516463.db2.gz IRBQEKLLIOTBKI-GRYCIOLGSA-N 2 2 293.371 -0.157 20 0 CBADLP C[C@@H](CC(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1)n1cc[nH+]c1 ZINC001436970866 910523647 /nfs/dbraw/zinc/52/36/47/910523647.db2.gz XRDZGYKELFVTRM-GARJFASQSA-N 2 2 279.344 -0.444 20 0 CBADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+][C@@H]1CCCNC1=O ZINC001437235830 910596635 /nfs/dbraw/zinc/59/66/35/910596635.db2.gz KHOGQFAQYRQTTQ-ZYHUDNBSSA-N 2 2 293.371 -0.665 20 0 CBADLP C[C@@H](CCNC(=O)CCc1c[nH]c[nH+]1)[NH2+]CC(=O)N(C)C ZINC001437386733 910624584 /nfs/dbraw/zinc/62/45/84/910624584.db2.gz VXQHACKZKQJHNQ-NSHDSACASA-N 2 2 295.387 -0.085 20 0 CBADLP C[C@@H](CCNC(=O)CCc1c[nH+]c[nH]1)[NH2+]CC(=O)N(C)C ZINC001437386733 910624601 /nfs/dbraw/zinc/62/46/01/910624601.db2.gz VXQHACKZKQJHNQ-NSHDSACASA-N 2 2 295.387 -0.085 20 0 CBADLP CNC(=O)[C@H](C)[N@H+](C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001437480964 910658650 /nfs/dbraw/zinc/65/86/50/910658650.db2.gz JBIBBUPLJNJRJU-LBPRGKRZSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001437480964 910658659 /nfs/dbraw/zinc/65/86/59/910658659.db2.gz JBIBBUPLJNJRJU-LBPRGKRZSA-N 2 2 296.415 -0.203 20 0 CBADLP CC(C)[C@@H](C(=O)NCC[N@H+](C)CC(=O)N1CCC1)[NH+](C)C ZINC001437557414 910683482 /nfs/dbraw/zinc/68/34/82/910683482.db2.gz QWSQDJOIIPORBJ-AWEZNQCLSA-N 2 2 298.431 -0.147 20 0 CBADLP CC(C)[C@@H](C(=O)NCC[N@@H+](C)CC(=O)N1CCC1)[NH+](C)C ZINC001437557414 910683487 /nfs/dbraw/zinc/68/34/87/910683487.db2.gz QWSQDJOIIPORBJ-AWEZNQCLSA-N 2 2 298.431 -0.147 20 0 CBADLP CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)CCC[NH+](C)C)C1 ZINC001506646139 921597108 /nfs/dbraw/zinc/59/71/08/921597108.db2.gz AQOCASIMKLFSEW-LLVKDONJSA-N 2 2 284.404 -0.489 20 0 CBADLP CCCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001506651699 921599885 /nfs/dbraw/zinc/59/98/85/921599885.db2.gz WAGLIQQKGOHESX-GFCCVEGCSA-N 2 2 298.431 -0.099 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001437725109 910736820 /nfs/dbraw/zinc/73/68/20/910736820.db2.gz ODVSGLVCLSMAFA-QWRGUYRKSA-N 2 2 291.355 -0.721 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001437725109 910736836 /nfs/dbraw/zinc/73/68/36/910736836.db2.gz ODVSGLVCLSMAFA-QWRGUYRKSA-N 2 2 291.355 -0.721 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NCC1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001438155516 910829663 /nfs/dbraw/zinc/82/96/63/910829663.db2.gz AEOVKNNLTWNTKI-VIFPVBQESA-N 2 2 279.344 -0.887 20 0 CBADLP CC(C)[C@H](C(=O)NCC1C[NH+](CC(N)=O)C1)[NH+]1CCCC1 ZINC001438156034 910830319 /nfs/dbraw/zinc/83/03/19/910830319.db2.gz FBZDGWSJMZCAQB-CQSZACIVSA-N 2 2 296.415 -0.360 20 0 CBADLP CC[C@@H](C(=O)NCC1C[NH+](CC(=O)N(C)CC)C1)[NH+](C)C ZINC001438146100 910830885 /nfs/dbraw/zinc/83/08/85/910830885.db2.gz TYZDBINRKQDSJW-ZDUSSCGKSA-N 2 2 298.431 -0.147 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CC(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001438142025 910832903 /nfs/dbraw/zinc/83/29/03/910832903.db2.gz OKPPBRGUCPXXTD-LLVKDONJSA-N 2 2 296.415 -0.360 20 0 CBADLP CC[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CC(=O)NC(C)C ZINC001438362678 910886397 /nfs/dbraw/zinc/88/63/97/910886397.db2.gz ALLAOHVMMUKDLL-GFCCVEGCSA-N 2 2 295.387 -0.108 20 0 CBADLP C[C@@H](O)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001438585750 910926685 /nfs/dbraw/zinc/92/66/85/910926685.db2.gz JITLHTFMHLHLGU-CHWSQXEVSA-N 2 2 285.388 -0.720 20 0 CBADLP C[C@@H](O)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001438585750 910926698 /nfs/dbraw/zinc/92/66/98/910926698.db2.gz JITLHTFMHLHLGU-CHWSQXEVSA-N 2 2 285.388 -0.720 20 0 CBADLP C[C@@H](C[NH2+]CC(N)=O)N(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001438672537 910953584 /nfs/dbraw/zinc/95/35/84/910953584.db2.gz ZVRIOVAERQFFQK-QWRGUYRKSA-N 2 2 293.371 -0.633 20 0 CBADLP COC[C@H](O)C[NH2+]C[C@H](C)N(C)C(=O)Cc1c[nH+]cn1C ZINC001438711770 910959020 /nfs/dbraw/zinc/95/90/20/910959020.db2.gz UCTUJBFCIIOSTR-WCQYABFASA-N 2 2 298.387 -0.594 20 0 CBADLP CC(C)[C@@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]CC(N)=O ZINC001438806195 910970513 /nfs/dbraw/zinc/97/05/13/910970513.db2.gz AKYXUNPEHWBSBB-LLVKDONJSA-N 2 2 281.360 -0.511 20 0 CBADLP CN(CC[N@H+](C)CCn1cncn1)C(=O)Cc1c[nH+]c[nH]1 ZINC001438920353 910999378 /nfs/dbraw/zinc/99/93/78/910999378.db2.gz OTNAAHIGQIYKQB-UHFFFAOYSA-N 2 2 291.359 -0.366 20 0 CBADLP CN(CC[N@@H+](C)CCn1cncn1)C(=O)Cc1c[nH+]c[nH]1 ZINC001438920353 910999390 /nfs/dbraw/zinc/99/93/90/910999390.db2.gz OTNAAHIGQIYKQB-UHFFFAOYSA-N 2 2 291.359 -0.366 20 0 CBADLP NC(=O)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001438959318 911015916 /nfs/dbraw/zinc/01/59/16/911015916.db2.gz XFIKQZANEZELGP-ZYHUDNBSSA-N 2 2 293.371 -0.298 20 0 CBADLP NC(=O)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001438959318 911015933 /nfs/dbraw/zinc/01/59/33/911015933.db2.gz XFIKQZANEZELGP-ZYHUDNBSSA-N 2 2 293.371 -0.298 20 0 CBADLP CC[NH2+]C[C@H](O)CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001438990910 911040570 /nfs/dbraw/zinc/04/05/70/911040570.db2.gz MCVSWPLUGSHLEK-LBPRGKRZSA-N 2 2 280.372 -0.152 20 0 CBADLP C[C@H](O)C[NH2+]C[C@@H](O)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001438996611 911046953 /nfs/dbraw/zinc/04/69/53/911046953.db2.gz GFZNAPWSSROQFY-GXSJLCMTSA-N 2 2 292.339 -0.376 20 0 CBADLP C[C@H]([NH2+]CCO)[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001506860736 921629345 /nfs/dbraw/zinc/62/93/45/921629345.db2.gz YHBHOWZKJXBVRG-NWDGAFQWSA-N 2 2 282.344 -0.919 20 0 CBADLP Cc1noc(C[NH2+]C[C@H](O)CNC(=O)C[N@@H+](C)C(C)C)n1 ZINC001439053829 911076892 /nfs/dbraw/zinc/07/68/92/911076892.db2.gz JTNQTLZMRFSDDL-NSHDSACASA-N 2 2 299.375 -0.715 20 0 CBADLP Cc1noc(C[NH2+]C[C@H](O)CNC(=O)C[N@H+](C)C(C)C)n1 ZINC001439053829 911076910 /nfs/dbraw/zinc/07/69/10/911076910.db2.gz JTNQTLZMRFSDDL-NSHDSACASA-N 2 2 299.375 -0.715 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC[C@@H](O)C[NH2+]C[C@H]1CCOC1 ZINC001439050524 911078817 /nfs/dbraw/zinc/07/88/17/911078817.db2.gz VUWCGEFSWRXBMX-YPMHNXCESA-N 2 2 296.371 -0.934 20 0 CBADLP Cc1oncc1C[NH2+]C[C@@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001439062646 911084241 /nfs/dbraw/zinc/08/42/41/911084241.db2.gz SWHODHZVYBOECA-GFCCVEGCSA-N 2 2 293.327 -0.554 20 0 CBADLP C[C@@H](C[NH2+]CC(=O)NC1CC1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001439265675 911160221 /nfs/dbraw/zinc/16/02/21/911160221.db2.gz WZIPKVDXBICVQY-VIFPVBQESA-N 2 2 279.344 -0.675 20 0 CBADLP NC(=O)C[NH2+]C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)C1CC1 ZINC001439453222 911212549 /nfs/dbraw/zinc/21/25/49/911212549.db2.gz GIDJLRPGCYYZCT-LLVKDONJSA-N 2 2 279.344 -0.688 20 0 CBADLP NC(=O)C[NH2+]C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)C1CC1 ZINC001439453222 911212567 /nfs/dbraw/zinc/21/25/67/911212567.db2.gz GIDJLRPGCYYZCT-LLVKDONJSA-N 2 2 279.344 -0.688 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NCC1([NH2+]CC(=O)NC2CC2)CC1 ZINC001439649406 911269771 /nfs/dbraw/zinc/26/97/71/911269771.db2.gz RLCNFKKQHGFMGE-UHFFFAOYSA-N 2 2 291.355 -0.531 20 0 CBADLP COC[C@@H](O)C[NH2+]C[C@@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001439781759 911287355 /nfs/dbraw/zinc/28/73/55/911287355.db2.gz DHBBRRRHNPKDMJ-RYUDHWBXSA-N 2 2 296.371 -0.460 20 0 CBADLP C[C@]1(C[NH2+]CC(N)=O)CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001439897823 911308780 /nfs/dbraw/zinc/30/87/80/911308780.db2.gz YKUDKEAPBWVKNI-CQSZACIVSA-N 2 2 293.371 -0.344 20 0 CBADLP C[C@]1(C[NH2+]CC(N)=O)CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001439897823 911308802 /nfs/dbraw/zinc/30/88/02/911308802.db2.gz YKUDKEAPBWVKNI-CQSZACIVSA-N 2 2 293.371 -0.344 20 0 CBADLP COC[C@H](C)[N@@H+]1CC[C@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001440031599 911352776 /nfs/dbraw/zinc/35/27/76/911352776.db2.gz KYCWHXPGRDLHOO-JSGCOSHPSA-N 2 2 296.371 -0.529 20 0 CBADLP COC[C@H](C)[N@H+]1CC[C@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001440031599 911352790 /nfs/dbraw/zinc/35/27/90/911352790.db2.gz KYCWHXPGRDLHOO-JSGCOSHPSA-N 2 2 296.371 -0.529 20 0 CBADLP C[C@@H](O)C[NH+]1CC(O)(CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001440053970 911369348 /nfs/dbraw/zinc/36/93/48/911369348.db2.gz DWGTVSJSRXWOBH-CHWSQXEVSA-N 2 2 299.415 -0.596 20 0 CBADLP C[C@@H](O)C[NH+]1CC(O)(CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001440053970 911369368 /nfs/dbraw/zinc/36/93/68/911369368.db2.gz DWGTVSJSRXWOBH-CHWSQXEVSA-N 2 2 299.415 -0.596 20 0 CBADLP CO[C@H](C)C[NH+]1CC(O)(CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001440073848 911372684 /nfs/dbraw/zinc/37/26/84/911372684.db2.gz GYDXUITZGYKZAN-QWHCGFSZSA-N 2 2 299.415 -0.474 20 0 CBADLP CO[C@H](C)C[NH+]1CC(O)(CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001440073848 911372690 /nfs/dbraw/zinc/37/26/90/911372690.db2.gz GYDXUITZGYKZAN-QWHCGFSZSA-N 2 2 299.415 -0.474 20 0 CBADLP CO[C@@H](C)C[NH+]1CC(O)(CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001440073850 911374989 /nfs/dbraw/zinc/37/49/89/911374989.db2.gz GYDXUITZGYKZAN-STQMWFEESA-N 2 2 299.415 -0.474 20 0 CBADLP CO[C@@H](C)C[NH+]1CC(O)(CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001440073850 911375006 /nfs/dbraw/zinc/37/50/06/911375006.db2.gz GYDXUITZGYKZAN-STQMWFEESA-N 2 2 299.415 -0.474 20 0 CBADLP C[C@H]([NH2+]CCO)[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001440126899 911387131 /nfs/dbraw/zinc/38/71/31/911387131.db2.gz SQVLFCIWAPVJPS-NWDGAFQWSA-N 2 2 280.372 -0.219 20 0 CBADLP C[C@@H]([NH2+]CCO)[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001440126910 911389895 /nfs/dbraw/zinc/38/98/95/911389895.db2.gz SQVLFCIWAPVJPS-VXGBXAGGSA-N 2 2 280.372 -0.219 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)C[NH+]1CCCC1 ZINC001440252748 911416209 /nfs/dbraw/zinc/41/62/09/911416209.db2.gz LMMJLOLUWYVCQD-STQMWFEESA-N 2 2 296.415 -0.251 20 0 CBADLP CNC(=O)[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)C[NH+]1CCCC1 ZINC001440252748 911416221 /nfs/dbraw/zinc/41/62/21/911416221.db2.gz LMMJLOLUWYVCQD-STQMWFEESA-N 2 2 296.415 -0.251 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001440363972 911436535 /nfs/dbraw/zinc/43/65/35/911436535.db2.gz MINIGLVNTTUGAJ-NHCYSSNCSA-N 2 2 291.355 -0.675 20 0 CBADLP COC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001440372428 911440342 /nfs/dbraw/zinc/44/03/42/911440342.db2.gz HFGGUEARSPBZED-WCQYABFASA-N 2 2 296.371 -0.196 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+](C)CCCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001440470173 911458865 /nfs/dbraw/zinc/45/88/65/911458865.db2.gz KKDDAHCNAKSNRZ-LLVKDONJSA-N 2 2 295.387 -0.133 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+](C)CCCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001440470173 911458873 /nfs/dbraw/zinc/45/88/73/911458873.db2.gz KKDDAHCNAKSNRZ-LLVKDONJSA-N 2 2 295.387 -0.133 20 0 CBADLP C[C@@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]CC(N)=O ZINC001440664367 911490059 /nfs/dbraw/zinc/49/00/59/911490059.db2.gz XPAHMIIDKOVFEU-IVZWLZJFSA-N 2 2 279.344 -0.517 20 0 CBADLP C[C@@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[NH2+]CC(N)=O ZINC001440664367 911490069 /nfs/dbraw/zinc/49/00/69/911490069.db2.gz XPAHMIIDKOVFEU-IVZWLZJFSA-N 2 2 279.344 -0.517 20 0 CBADLP CCC[NH+]1CCC(CO)(NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001440691670 911495552 /nfs/dbraw/zinc/49/55/52/911495552.db2.gz IIWBPVDTWRJVLC-ZDUSSCGKSA-N 2 2 299.415 -0.330 20 0 CBADLP CCC[NH+]1CCC(CO)(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001440691670 911495561 /nfs/dbraw/zinc/49/55/61/911495561.db2.gz IIWBPVDTWRJVLC-ZDUSSCGKSA-N 2 2 299.415 -0.330 20 0 CBADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC1CC(C[NH2+]CC(N)=O)C1 ZINC001440758575 911503169 /nfs/dbraw/zinc/50/31/69/911503169.db2.gz DOWFQQRDAPATGT-WHXUTIOJSA-N 2 2 293.371 -0.442 20 0 CBADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC1CC(C[NH2+]CC(N)=O)C1 ZINC001440758575 911503171 /nfs/dbraw/zinc/50/31/71/911503171.db2.gz DOWFQQRDAPATGT-WHXUTIOJSA-N 2 2 293.371 -0.442 20 0 CBADLP CN(C)C(=O)C[NH2+]CC1CC(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001440760449 911504124 /nfs/dbraw/zinc/50/41/24/911504124.db2.gz QVUTYLSSRDAGTJ-UHFFFAOYSA-N 2 2 293.371 -0.475 20 0 CBADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[N@H+](C)[C@@H](C)C(=O)N(C)C ZINC001441024155 911586081 /nfs/dbraw/zinc/58/60/81/911586081.db2.gz MDTMLCWGLXIBMK-NEPJUHHUSA-N 2 2 295.387 -0.204 20 0 CBADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[N@@H+](C)[C@@H](C)C(=O)N(C)C ZINC001441024155 911586095 /nfs/dbraw/zinc/58/60/95/911586095.db2.gz MDTMLCWGLXIBMK-NEPJUHHUSA-N 2 2 295.387 -0.204 20 0 CBADLP COC[C@@H](O)C[N@H+](C)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001441020793 911586393 /nfs/dbraw/zinc/58/63/93/911586393.db2.gz ALJLBNSZIISGJT-NEPJUHHUSA-N 2 2 284.360 -0.673 20 0 CBADLP COC[C@@H](O)C[N@@H+](C)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001441020793 911586410 /nfs/dbraw/zinc/58/64/10/911586410.db2.gz ALJLBNSZIISGJT-NEPJUHHUSA-N 2 2 284.360 -0.673 20 0 CBADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[N@H+](C)[C@@H](C)C(=O)N(C)C ZINC001441024157 911587228 /nfs/dbraw/zinc/58/72/28/911587228.db2.gz MDTMLCWGLXIBMK-RYUDHWBXSA-N 2 2 295.387 -0.204 20 0 CBADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[N@@H+](C)[C@@H](C)C(=O)N(C)C ZINC001441024157 911587237 /nfs/dbraw/zinc/58/72/37/911587237.db2.gz MDTMLCWGLXIBMK-RYUDHWBXSA-N 2 2 295.387 -0.204 20 0 CBADLP O=C(NC1(CCO)C[NH+](CCCF)C1)C12CC[NH+](CC1)C2 ZINC001441066566 911602103 /nfs/dbraw/zinc/60/21/03/911602103.db2.gz GQTSUFZTRHFGNI-UHFFFAOYSA-N 2 2 299.390 -0.005 20 0 CBADLP C[C@@H](NC(=O)CC[C@H]1CCC[N@@H+]1C)C1C[NH+](CC(N)=O)C1 ZINC001441165115 911618523 /nfs/dbraw/zinc/61/85/23/911618523.db2.gz STQDBWLKBWPPOR-DGCLKSJQSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@@H](NC(=O)CC[C@H]1CCC[N@H+]1C)C1C[NH+](CC(N)=O)C1 ZINC001441165115 911618529 /nfs/dbraw/zinc/61/85/29/911618529.db2.gz STQDBWLKBWPPOR-DGCLKSJQSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@H](NC(=O)CC[C@@H]1CCC[N@@H+]1C)C1C[NH+](CC(N)=O)C1 ZINC001441165102 911619257 /nfs/dbraw/zinc/61/92/57/911619257.db2.gz STQDBWLKBWPPOR-AAEUAGOBSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@H](NC(=O)CC[C@@H]1CCC[N@H+]1C)C1C[NH+](CC(N)=O)C1 ZINC001441165102 911619270 /nfs/dbraw/zinc/61/92/70/911619270.db2.gz STQDBWLKBWPPOR-AAEUAGOBSA-N 2 2 296.415 -0.217 20 0 CBADLP NC(=O)C[NH2+][C@@H](CNC(=O)CCc1c[nH]c[nH+]1)C1CC1 ZINC001441208709 911626481 /nfs/dbraw/zinc/62/64/81/911626481.db2.gz VDXJBZOAGWVHKI-NSHDSACASA-N 2 2 279.344 -0.688 20 0 CBADLP NC(=O)C[NH2+][C@@H](CNC(=O)CCc1c[nH+]c[nH]1)C1CC1 ZINC001441208709 911626488 /nfs/dbraw/zinc/62/64/88/911626488.db2.gz VDXJBZOAGWVHKI-NSHDSACASA-N 2 2 279.344 -0.688 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]([NH2+][C@@H](C)C(N)=O)C1CC1 ZINC001441270331 911634763 /nfs/dbraw/zinc/63/47/63/911634763.db2.gz SBOYPDKQAZVAGV-JOYOIKCWSA-N 2 2 293.371 -0.381 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]([NH2+][C@H](C)C(N)=O)C1CC1 ZINC001441270333 911635253 /nfs/dbraw/zinc/63/52/53/911635253.db2.gz SBOYPDKQAZVAGV-SKDRFNHKSA-N 2 2 293.371 -0.381 20 0 CBADLP CNC(=O)C[NH2+][C@H](CNC(=O)Cc1[nH]c[nH+]c1C)C1CC1 ZINC001441273229 911638296 /nfs/dbraw/zinc/63/82/96/911638296.db2.gz VMADRAZERCOBRV-GFCCVEGCSA-N 2 2 293.371 -0.509 20 0 CBADLP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)C1)C(N)=O ZINC001441499434 911684427 /nfs/dbraw/zinc/68/44/27/911684427.db2.gz SFSDSTINLBFOPA-MXWKQRLJSA-N 2 2 293.371 -0.537 20 0 CBADLP C[C@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)[NH2+][C@H](C)C(N)=O ZINC001507130059 921685288 /nfs/dbraw/zinc/68/52/88/921685288.db2.gz QRGANVKVHVIGJG-RKDXNWHRSA-N 2 2 267.333 -0.738 20 0 CBADLP C[C@@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)[NH2+]CC(=O)N(C)C ZINC001441616209 911715888 /nfs/dbraw/zinc/71/58/88/911715888.db2.gz XYWMTKSTGOVKJL-JTQLQIEISA-N 2 2 281.360 -0.523 20 0 CBADLP CC[C@H]([NH2+][C@@H](C)CN(C)C(=O)Cn1cc[nH+]c1)C(N)=O ZINC001441643607 911720859 /nfs/dbraw/zinc/72/08/59/911720859.db2.gz QXEPSSBCRGVVHL-QWRGUYRKSA-N 2 2 281.360 -0.417 20 0 CBADLP CC[C@H]([NH2+][C@H](C)CN(C)C(=O)Cn1cc[nH+]c1)C(N)=O ZINC001441643604 911721848 /nfs/dbraw/zinc/72/18/48/911721848.db2.gz QXEPSSBCRGVVHL-MNOVXSKESA-N 2 2 281.360 -0.417 20 0 CBADLP Cn1ccc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC001441677932 911741047 /nfs/dbraw/zinc/74/10/47/911741047.db2.gz GRVWYVVJDGBXRO-OLZOCXBDSA-N 2 2 295.387 -0.919 20 0 CBADLP Cn1ccc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001441677932 911741059 /nfs/dbraw/zinc/74/10/59/911741059.db2.gz GRVWYVVJDGBXRO-OLZOCXBDSA-N 2 2 295.387 -0.919 20 0 CBADLP C[NH+](C)Cc1cc(C(=O)NC[C@H](CO)[NH2+]CCF)no1 ZINC001441718158 911763196 /nfs/dbraw/zinc/76/31/96/911763196.db2.gz JJCYNVDOAURKLP-SECBINFHSA-N 2 2 288.323 -0.614 20 0 CBADLP C[NH+](C)Cc1cc(C(=O)NC[C@@H](CO)[NH2+]CCF)no1 ZINC001441718161 911763727 /nfs/dbraw/zinc/76/37/27/911763727.db2.gz JJCYNVDOAURKLP-VIFPVBQESA-N 2 2 288.323 -0.614 20 0 CBADLP CNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001441833993 911831278 /nfs/dbraw/zinc/83/12/78/911831278.db2.gz HYCGHVZRQNDFHN-ONGXEEELSA-N 2 2 279.344 -0.723 20 0 CBADLP C[C@H](O)C[NH2+]C[C@@H](O)CN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001441975731 911877158 /nfs/dbraw/zinc/87/71/58/911877158.db2.gz BLHYUHXHHWZLFT-CMPLNLGQSA-N 2 2 284.360 -0.868 20 0 CBADLP C[C@H](O)C[NH2+]C[C@@H](O)CN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001441975731 911877167 /nfs/dbraw/zinc/87/71/67/911877167.db2.gz BLHYUHXHHWZLFT-CMPLNLGQSA-N 2 2 284.360 -0.868 20 0 CBADLP C[C@@H](O)C[NH2+]C[C@H](O)CN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001441975737 911877291 /nfs/dbraw/zinc/87/72/91/911877291.db2.gz BLHYUHXHHWZLFT-PWSUYJOCSA-N 2 2 284.360 -0.868 20 0 CBADLP C[C@@H](O)C[NH2+]C[C@H](O)CN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001441975737 911877310 /nfs/dbraw/zinc/87/73/10/911877310.db2.gz BLHYUHXHHWZLFT-PWSUYJOCSA-N 2 2 284.360 -0.868 20 0 CBADLP CC(C)N(C)C(=O)C[NH2+][C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001441990561 911886864 /nfs/dbraw/zinc/88/68/64/911886864.db2.gz ULEPWGGVVNQOFN-LLVKDONJSA-N 2 2 295.387 -0.087 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@@H](O)C[NH2+]C[C@H](C)O ZINC001442025711 911898642 /nfs/dbraw/zinc/89/86/42/911898642.db2.gz SVOPZZXVEWUNJC-ONGXEEELSA-N 2 2 284.360 -0.950 20 0 CBADLP C[C@@H](CNC(=O)CCCn1cc[nH+]c1)[NH2+][C@@H](C)C(N)=O ZINC001442059999 911914401 /nfs/dbraw/zinc/91/44/01/911914401.db2.gz MMAZVCFGAHIJBK-QWRGUYRKSA-N 2 2 281.360 -0.369 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001442145347 911938549 /nfs/dbraw/zinc/93/85/49/911938549.db2.gz GNEFGWLPBGTTRM-NSHDSACASA-N 2 2 279.344 -0.933 20 0 CBADLP C[C@@H]([NH2+]C[C@@H](NC(=O)Cn1cc[nH+]c1)C(C)(C)C)C(N)=O ZINC001442169821 911941862 /nfs/dbraw/zinc/94/18/62/911941862.db2.gz FKNQBYHSEYBLNB-GHMZBOCLSA-N 2 2 295.387 -0.123 20 0 CBADLP C[N@H+](CCCO)CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001442461237 912019166 /nfs/dbraw/zinc/01/91/66/912019166.db2.gz VMZVFRXWUNUBKD-LBPRGKRZSA-N 2 2 280.372 -0.124 20 0 CBADLP C[N@@H+](CCCO)CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001442461237 912019181 /nfs/dbraw/zinc/01/91/81/912019181.db2.gz VMZVFRXWUNUBKD-LBPRGKRZSA-N 2 2 280.372 -0.124 20 0 CBADLP Cn1nccc1CC[N@H+](C)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001442531517 912036869 /nfs/dbraw/zinc/03/68/69/912036869.db2.gz IGASHXHZAYZOSR-UHFFFAOYSA-N 2 2 290.371 -0.024 20 0 CBADLP Cn1nccc1CC[N@@H+](C)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001442531517 912036881 /nfs/dbraw/zinc/03/68/81/912036881.db2.gz IGASHXHZAYZOSR-UHFFFAOYSA-N 2 2 290.371 -0.024 20 0 CBADLP CCN(C)C(=O)C[N@H+](C)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001442515945 912040655 /nfs/dbraw/zinc/04/06/55/912040655.db2.gz IITAJWAEHZXEMQ-CYBMUJFWSA-N 2 2 298.431 -0.146 20 0 CBADLP CCN(C)C(=O)C[N@@H+](C)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001442515945 912040670 /nfs/dbraw/zinc/04/06/70/912040670.db2.gz IITAJWAEHZXEMQ-CYBMUJFWSA-N 2 2 298.431 -0.146 20 0 CBADLP CCN(C)C(=O)C[NH+](C)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001442515945 912040682 /nfs/dbraw/zinc/04/06/82/912040682.db2.gz IITAJWAEHZXEMQ-CYBMUJFWSA-N 2 2 298.431 -0.146 20 0 CBADLP CCN(C)C(=O)C[NH+](C)CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001442515945 912040698 /nfs/dbraw/zinc/04/06/98/912040698.db2.gz IITAJWAEHZXEMQ-CYBMUJFWSA-N 2 2 298.431 -0.146 20 0 CBADLP CCC[N@H+](C)CC(=O)NCC[NH+](C)CC(=O)N(C)C ZINC001442578337 912052541 /nfs/dbraw/zinc/05/25/41/912052541.db2.gz NGTNXDBRMVSVPF-UHFFFAOYSA-N 2 2 272.393 -0.536 20 0 CBADLP CCC[N@@H+](C)CC(=O)NCC[NH+](C)CC(=O)N(C)C ZINC001442578337 912052557 /nfs/dbraw/zinc/05/25/57/912052557.db2.gz NGTNXDBRMVSVPF-UHFFFAOYSA-N 2 2 272.393 -0.536 20 0 CBADLP CCC[NH+](C)CC(=O)NCC[N@H+](C)CC(=O)N(C)C ZINC001442578337 912052572 /nfs/dbraw/zinc/05/25/72/912052572.db2.gz NGTNXDBRMVSVPF-UHFFFAOYSA-N 2 2 272.393 -0.536 20 0 CBADLP CCC[NH+](C)CC(=O)NCC[N@@H+](C)CC(=O)N(C)C ZINC001442578337 912052586 /nfs/dbraw/zinc/05/25/86/912052586.db2.gz NGTNXDBRMVSVPF-UHFFFAOYSA-N 2 2 272.393 -0.536 20 0 CBADLP C[C@@H](O)C[N@@H+]1CCC[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001442810449 912110026 /nfs/dbraw/zinc/11/00/26/912110026.db2.gz NNIXRUNUMWFZHX-VXGBXAGGSA-N 2 2 280.372 -0.076 20 0 CBADLP C[C@@H](O)C[N@H+]1CCC[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001442810449 912110033 /nfs/dbraw/zinc/11/00/33/912110033.db2.gz NNIXRUNUMWFZHX-VXGBXAGGSA-N 2 2 280.372 -0.076 20 0 CBADLP CCC[N@H+](CCNC(=O)Cn1cc[nH+]c1)[C@@H](C)C(=O)NC ZINC001442967894 912134605 /nfs/dbraw/zinc/13/46/05/912134605.db2.gz MYJYEGOBQYJCCF-LBPRGKRZSA-N 2 2 295.387 -0.154 20 0 CBADLP CCC[N@@H+](CCNC(=O)Cn1cc[nH+]c1)[C@@H](C)C(=O)NC ZINC001442967894 912134615 /nfs/dbraw/zinc/13/46/15/912134615.db2.gz MYJYEGOBQYJCCF-LBPRGKRZSA-N 2 2 295.387 -0.154 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NCC[N@@H+]([C@H](C)C(N)=O)C1CC1 ZINC001443029672 912144530 /nfs/dbraw/zinc/14/45/30/912144530.db2.gz PSJYUEQDJQDSMK-LLVKDONJSA-N 2 2 293.371 -0.354 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NCC[N@H+]([C@H](C)C(N)=O)C1CC1 ZINC001443029672 912144535 /nfs/dbraw/zinc/14/45/35/912144535.db2.gz PSJYUEQDJQDSMK-LLVKDONJSA-N 2 2 293.371 -0.354 20 0 CBADLP CN(CC[NH2+][C@@H]1CCNC1=O)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001443093354 912156754 /nfs/dbraw/zinc/15/67/54/912156754.db2.gz BUCSIQOOEWTHDK-SNVBAGLBSA-N 2 2 293.371 -0.376 20 0 CBADLP C[C@@H](CC[NH+](C)C)NS(=O)(=O)N1CC[NH+](C)CC1 ZINC001463093559 914901293 /nfs/dbraw/zinc/90/12/93/914901293.db2.gz JKRISMKJCAFQIS-NSHDSACASA-N 2 2 278.422 -0.592 20 0 CBADLP CC[N@@H+]1CC[C@H]1C(=O)N1CC[NH+](C(C)(C)CO)CC1 ZINC001466539947 915126665 /nfs/dbraw/zinc/12/66/65/915126665.db2.gz AZXRPLFXERKHQO-LBPRGKRZSA-N 2 2 269.389 -0.004 20 0 CBADLP CC[N@H+]1CC[C@H]1C(=O)N1CC[NH+](C(C)(C)CO)CC1 ZINC001466539947 915126677 /nfs/dbraw/zinc/12/66/77/915126677.db2.gz AZXRPLFXERKHQO-LBPRGKRZSA-N 2 2 269.389 -0.004 20 0 CBADLP CN1CC[N@H+](C)CC(C(=O)N2CC[NH+]3C[C@@H](F)C[C@H]3C2)C1 ZINC001468319948 915290084 /nfs/dbraw/zinc/29/00/84/915290084.db2.gz IARRPTZRZTYTEB-KBPBESRZSA-N 2 2 298.406 -0.266 20 0 CBADLP CN1CC[N@@H+](C)CC(C(=O)N2CC[NH+]3C[C@@H](F)C[C@H]3C2)C1 ZINC001468319948 915290090 /nfs/dbraw/zinc/29/00/90/915290090.db2.gz IARRPTZRZTYTEB-KBPBESRZSA-N 2 2 298.406 -0.266 20 0 CBADLP CN1CC[NH+](C)CC(C(=O)N2CC[N@@H+]3C[C@@H](F)C[C@H]3C2)C1 ZINC001468319948 915290099 /nfs/dbraw/zinc/29/00/99/915290099.db2.gz IARRPTZRZTYTEB-KBPBESRZSA-N 2 2 298.406 -0.266 20 0 CBADLP CN1CC[NH+](C)CC(C(=O)N2CC[N@H+]3C[C@@H](F)C[C@H]3C2)C1 ZINC001468319948 915290107 /nfs/dbraw/zinc/29/01/07/915290107.db2.gz IARRPTZRZTYTEB-KBPBESRZSA-N 2 2 298.406 -0.266 20 0 CBADLP COC[C@H](C)[NH2+][C@H](CO)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001507240417 921770773 /nfs/dbraw/zinc/77/07/73/921770773.db2.gz OLRVWAWXRWBVSJ-ONGXEEELSA-N 2 2 270.333 -0.946 20 0 CBADLP COC[C@H](C)[NH2+][C@@H](CO)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001507240412 921771875 /nfs/dbraw/zinc/77/18/75/921771875.db2.gz OLRVWAWXRWBVSJ-GXSJLCMTSA-N 2 2 270.333 -0.946 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@H](CO)[NH2+]C/C=C/Cl ZINC001507240858 921774193 /nfs/dbraw/zinc/77/41/93/921774193.db2.gz PSMGRFLMYFGAJI-YOLVWIGZSA-N 2 2 272.736 -0.229 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@H](CO)[NH2+]C/C=C\Cl ZINC001507240856 921776519 /nfs/dbraw/zinc/77/65/19/921776519.db2.gz PSMGRFLMYFGAJI-SYBPUXJVSA-N 2 2 272.736 -0.229 20 0 CBADLP CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001479263324 916104805 /nfs/dbraw/zinc/10/48/05/916104805.db2.gz CXWNKIJPCLPGEE-STQMWFEESA-N 2 2 296.415 -0.393 20 0 CBADLP CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001479263324 916104808 /nfs/dbraw/zinc/10/48/08/916104808.db2.gz CXWNKIJPCLPGEE-STQMWFEESA-N 2 2 296.415 -0.393 20 0 CBADLP CCNC(=O)C[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001479263324 916104810 /nfs/dbraw/zinc/10/48/10/916104810.db2.gz CXWNKIJPCLPGEE-STQMWFEESA-N 2 2 296.415 -0.393 20 0 CBADLP CCNC(=O)C[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001479263324 916104814 /nfs/dbraw/zinc/10/48/14/916104814.db2.gz CXWNKIJPCLPGEE-STQMWFEESA-N 2 2 296.415 -0.393 20 0 CBADLP CC[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1)C(N)=O ZINC001479330095 916118320 /nfs/dbraw/zinc/11/83/20/916118320.db2.gz OKOXTDKFWFMTAG-OUAUKWLOSA-N 2 2 293.371 -0.300 20 0 CBADLP C[C@@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001479409481 916130391 /nfs/dbraw/zinc/13/03/91/916130391.db2.gz UVPXJPIJPRQZJD-IJLUTSLNSA-N 2 2 280.372 -0.172 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCCC[N@@H+](C)[C@H](C)C(N)=O ZINC001479810481 916187720 /nfs/dbraw/zinc/18/77/20/916187720.db2.gz XIAYRGYRTMEDPL-SNVBAGLBSA-N 2 2 281.360 -0.427 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCCC[N@H+](C)[C@H](C)C(N)=O ZINC001479810481 916187731 /nfs/dbraw/zinc/18/77/31/916187731.db2.gz XIAYRGYRTMEDPL-SNVBAGLBSA-N 2 2 281.360 -0.427 20 0 CBADLP CNC(=O)C[NH2+][C@@H](CNC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001480057213 916279336 /nfs/dbraw/zinc/27/93/36/916279336.db2.gz XGBQZTHYVGRMQC-JTQLQIEISA-N 2 2 279.344 -0.817 20 0 CBADLP CNC(=O)C[NH2+][C@H](CNC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001480057221 916279783 /nfs/dbraw/zinc/27/97/83/916279783.db2.gz XGBQZTHYVGRMQC-SNVBAGLBSA-N 2 2 279.344 -0.817 20 0 CBADLP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1)C(=O)N(C)C ZINC001480159670 916314942 /nfs/dbraw/zinc/31/49/42/916314942.db2.gz JLRYLNGDDPIDRI-DCAQKATOSA-N 2 2 293.371 -0.334 20 0 CBADLP NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001480175347 916316696 /nfs/dbraw/zinc/31/66/96/916316696.db2.gz SRFDMHSJBPZBNQ-XYPYZODXSA-N 2 2 279.344 -0.615 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@@H](C[NH2+]CCO)C1 ZINC001480300204 916356026 /nfs/dbraw/zinc/35/60/26/916356026.db2.gz KNJHXCAWTKOGBV-LBPRGKRZSA-N 2 2 280.372 -0.217 20 0 CBADLP CNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001480363600 916368693 /nfs/dbraw/zinc/36/86/93/916368693.db2.gz WTSMFRBGNLCVHV-GFCCVEGCSA-N 2 2 293.371 -0.331 20 0 CBADLP NC(=O)C[NH2+]C1CCC(NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001480403895 916377045 /nfs/dbraw/zinc/37/70/45/916377045.db2.gz WLDRHBAKICEKQI-UHFFFAOYSA-N 2 2 293.371 -0.155 20 0 CBADLP NC(=O)C[NH2+]C1CCC(NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001480403895 916377065 /nfs/dbraw/zinc/37/70/65/916377065.db2.gz WLDRHBAKICEKQI-UHFFFAOYSA-N 2 2 293.371 -0.155 20 0 CBADLP C[C@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+][C@@H](C)C(N)=O ZINC001480473477 916430769 /nfs/dbraw/zinc/43/07/69/916430769.db2.gz GABJQPMATLKDLL-BDAKNGLRSA-N 2 2 267.333 -0.690 20 0 CBADLP C[C@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH2+][C@@H](C)C(N)=O ZINC001480473477 916430778 /nfs/dbraw/zinc/43/07/78/916430778.db2.gz GABJQPMATLKDLL-BDAKNGLRSA-N 2 2 267.333 -0.690 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001480474290 916432695 /nfs/dbraw/zinc/43/26/95/916432695.db2.gz JWUSTCBHEJHXQW-NXEZZACHSA-N 2 2 281.360 -0.429 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001480474290 916432709 /nfs/dbraw/zinc/43/27/09/916432709.db2.gz JWUSTCBHEJHXQW-NXEZZACHSA-N 2 2 281.360 -0.429 20 0 CBADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CC(=O)NC(C)(C)C ZINC001480604754 916491212 /nfs/dbraw/zinc/49/12/12/916491212.db2.gz RQUAWOBRMBTUOS-NSHDSACASA-N 2 2 295.387 -0.108 20 0 CBADLP C[C@H](CCNC(=O)CCc1[nH+]ccn1C)[NH2+]CCO ZINC001480781206 916537072 /nfs/dbraw/zinc/53/70/72/916537072.db2.gz ONKTVJGZNCIZST-LLVKDONJSA-N 2 2 268.361 -0.171 20 0 CBADLP C[C@H](CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)[NH2+]CC(N)=O ZINC001480796607 916546368 /nfs/dbraw/zinc/54/63/68/916546368.db2.gz QIACQHUMUKSOHB-NXEZZACHSA-N 2 2 281.360 -0.442 20 0 CBADLP C[C@H](CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1)[NH2+]CC(N)=O ZINC001480796607 916546375 /nfs/dbraw/zinc/54/63/75/916546375.db2.gz QIACQHUMUKSOHB-NXEZZACHSA-N 2 2 281.360 -0.442 20 0 CBADLP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)CC(N)=O ZINC001480883318 916608745 /nfs/dbraw/zinc/60/87/45/916608745.db2.gz CLILYAMKEWLFPJ-GFCCVEGCSA-N 2 2 284.404 -0.360 20 0 CBADLP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)CC(N)=O ZINC001480883318 916608752 /nfs/dbraw/zinc/60/87/52/916608752.db2.gz CLILYAMKEWLFPJ-GFCCVEGCSA-N 2 2 284.404 -0.360 20 0 CBADLP CC(C)C[NH+]1CCC[C@@H]1C(=O)NCC[N@H+](C)CC(N)=O ZINC001480883318 916608757 /nfs/dbraw/zinc/60/87/57/916608757.db2.gz CLILYAMKEWLFPJ-GFCCVEGCSA-N 2 2 284.404 -0.360 20 0 CBADLP CC(C)C[NH+]1CCC[C@@H]1C(=O)NCC[N@@H+](C)CC(N)=O ZINC001480883318 916608764 /nfs/dbraw/zinc/60/87/64/916608764.db2.gz CLILYAMKEWLFPJ-GFCCVEGCSA-N 2 2 284.404 -0.360 20 0 CBADLP C[N@H+](CCNC(=O)C1CC[NH+](C)CC1)CC(=O)N1CCC1 ZINC001480908423 916622336 /nfs/dbraw/zinc/62/23/36/916622336.db2.gz VDVXJVDUFLNLSZ-UHFFFAOYSA-N 2 2 296.415 -0.392 20 0 CBADLP C[N@@H+](CCNC(=O)C1CC[NH+](C)CC1)CC(=O)N1CCC1 ZINC001480908423 916622346 /nfs/dbraw/zinc/62/23/46/916622346.db2.gz VDVXJVDUFLNLSZ-UHFFFAOYSA-N 2 2 296.415 -0.392 20 0 CBADLP CC(C)CNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001480946959 916651675 /nfs/dbraw/zinc/65/16/75/916651675.db2.gz ZUPUYDYHIZMTTE-CYBMUJFWSA-N 2 2 298.431 -0.242 20 0 CBADLP CC(C)CNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001480946959 916651691 /nfs/dbraw/zinc/65/16/91/916651691.db2.gz ZUPUYDYHIZMTTE-CYBMUJFWSA-N 2 2 298.431 -0.242 20 0 CBADLP CC(C)CNC(=O)C[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001480946959 916651705 /nfs/dbraw/zinc/65/17/05/916651705.db2.gz ZUPUYDYHIZMTTE-CYBMUJFWSA-N 2 2 298.431 -0.242 20 0 CBADLP CC(C)CNC(=O)C[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001480946959 916651718 /nfs/dbraw/zinc/65/17/18/916651718.db2.gz ZUPUYDYHIZMTTE-CYBMUJFWSA-N 2 2 298.431 -0.242 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+]1CC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001481117270 916722226 /nfs/dbraw/zinc/72/22/26/916722226.db2.gz RSMDPHIAJQWYHA-MNOVXSKESA-N 2 2 293.371 -0.346 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+]1CC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001481117270 916722236 /nfs/dbraw/zinc/72/22/36/916722236.db2.gz RSMDPHIAJQWYHA-MNOVXSKESA-N 2 2 293.371 -0.346 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)CCCn1cc[nH+]c1 ZINC001481322669 916819667 /nfs/dbraw/zinc/81/96/67/916819667.db2.gz IXOSQRSNSGDEDH-GFCCVEGCSA-N 2 2 295.387 -0.154 20 0 CBADLP CN(CC[NH2+]CC(=O)NC1CC1)C(=O)Cn1cc[nH+]c1 ZINC001481322342 916820091 /nfs/dbraw/zinc/82/00/91/916820091.db2.gz ANCGRUKQMUPQSV-UHFFFAOYSA-N 2 2 279.344 -0.790 20 0 CBADLP CN(CC[NH2+]CC(=O)NCC1CC1)C(=O)Cn1cc[nH+]c1 ZINC001481322892 916820470 /nfs/dbraw/zinc/82/04/70/916820470.db2.gz QPCTVLRBOKTGJB-UHFFFAOYSA-N 2 2 293.371 -0.543 20 0 CBADLP CCOCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001481533453 916856239 /nfs/dbraw/zinc/85/62/39/916856239.db2.gz WASVNMDAJBOWEE-UONOGXRCSA-N 2 2 299.415 -0.066 20 0 CBADLP CCOCC[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001481533453 916856250 /nfs/dbraw/zinc/85/62/50/916856250.db2.gz WASVNMDAJBOWEE-UONOGXRCSA-N 2 2 299.415 -0.066 20 0 CBADLP CCOCC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001481533453 916856266 /nfs/dbraw/zinc/85/62/66/916856266.db2.gz WASVNMDAJBOWEE-UONOGXRCSA-N 2 2 299.415 -0.066 20 0 CBADLP CCOCC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001481533453 916856284 /nfs/dbraw/zinc/85/62/84/916856284.db2.gz WASVNMDAJBOWEE-UONOGXRCSA-N 2 2 299.415 -0.066 20 0 CBADLP C[NH+](C)CCC(=O)NC1C[NH+](CCOC[C@H]2CCCO2)C1 ZINC001481581312 916893721 /nfs/dbraw/zinc/89/37/21/916893721.db2.gz TVXYDGHDPGGCFO-CQSZACIVSA-N 2 2 299.415 -0.066 20 0 CBADLP CCNC(=O)C[NH+]1CC(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001481655054 916930865 /nfs/dbraw/zinc/93/08/65/916930865.db2.gz PXODNMVSROQEHT-LBPRGKRZSA-N 2 2 284.404 -0.489 20 0 CBADLP CC[C@H](CNC(=O)c1cccc2[nH+]ccn21)[NH2+]CC(N)=O ZINC001481831923 916999791 /nfs/dbraw/zinc/99/97/91/916999791.db2.gz FJXFUPAKOQIWCE-SNVBAGLBSA-N 2 2 289.339 -0.082 20 0 CBADLP COCC[NH2+]CC1(NC(=O)[C@H]2C[N@H+](C)CCO2)CCCC1 ZINC001481891229 917016315 /nfs/dbraw/zinc/01/63/15/917016315.db2.gz MXUJHWKUGSTJAS-CYBMUJFWSA-N 2 2 299.415 -0.018 20 0 CBADLP COCC[NH2+]CC1(NC(=O)[C@H]2C[N@@H+](C)CCO2)CCCC1 ZINC001481891229 917016332 /nfs/dbraw/zinc/01/63/32/917016332.db2.gz MXUJHWKUGSTJAS-CYBMUJFWSA-N 2 2 299.415 -0.018 20 0 CBADLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)C[NH2+]Cc1cnon1 ZINC001482159282 917069677 /nfs/dbraw/zinc/06/96/77/917069677.db2.gz NWHZOEGVKGAJSK-SNVBAGLBSA-N 2 2 292.343 -0.112 20 0 CBADLP CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001482158258 917072268 /nfs/dbraw/zinc/07/22/68/917072268.db2.gz CMBIZEMQIHYBFG-NSHDSACASA-N 2 2 295.387 -0.559 20 0 CBADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)C[NH2+][C@H]1CCNC1=O ZINC001482159669 917072697 /nfs/dbraw/zinc/07/26/97/917072697.db2.gz QQLNFMRMWHFCLA-JQWIXIFHSA-N 2 2 293.371 -0.807 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC[C@H]1C[N@H+](C[C@H](C)O)CCO1 ZINC001482205925 917093297 /nfs/dbraw/zinc/09/32/97/917093297.db2.gz QWAHZVQJLRHWQO-AAEUAGOBSA-N 2 2 296.371 -0.611 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC[C@H]1C[N@@H+](C[C@H](C)O)CCO1 ZINC001482205925 917093310 /nfs/dbraw/zinc/09/33/10/917093310.db2.gz QWAHZVQJLRHWQO-AAEUAGOBSA-N 2 2 296.371 -0.611 20 0 CBADLP O=C(Cn1cc[nH+]c1)NCC1([NH2+]CCO)CCCC1 ZINC001482239346 917093955 /nfs/dbraw/zinc/09/39/55/917093955.db2.gz XHMYKSPMDLTAQS-UHFFFAOYSA-N 2 2 266.345 -0.106 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)CCc1c[nH+]cn1C ZINC001482360308 917136335 /nfs/dbraw/zinc/13/63/35/917136335.db2.gz BSYLHLFXUVLPRL-LLVKDONJSA-N 2 2 295.387 -0.465 20 0 CBADLP NC(=O)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001482690258 917205417 /nfs/dbraw/zinc/20/54/17/917205417.db2.gz XZDOBVCWFIHGHM-GXSJLCMTSA-N 2 2 279.344 -0.688 20 0 CBADLP CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001482744032 917246851 /nfs/dbraw/zinc/24/68/51/917246851.db2.gz OKGQSONKDLSRJR-GHMZBOCLSA-N 2 2 266.345 -0.468 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H](O)C[NH2+]Cc1ccns1 ZINC001482780922 917280566 /nfs/dbraw/zinc/28/05/66/917280566.db2.gz DWUPVAVLUVTGOU-VIFPVBQESA-N 2 2 295.368 -0.324 20 0 CBADLP O=C(C[NH+]1CCCC1)NC[C@H](O)C[NH2+]Cc1csnn1 ZINC001482793822 917287374 /nfs/dbraw/zinc/28/73/74/917287374.db2.gz SRLYASHVVGLGNN-LLVKDONJSA-N 2 2 299.400 -0.799 20 0 CBADLP C[C@@H](O)C[NH2+]CC[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001482890354 917325911 /nfs/dbraw/zinc/32/59/11/917325911.db2.gz PNWSRZBWTWRHPU-WDEREUQCSA-N 2 2 268.361 -0.172 20 0 CBADLP CCN(CC[NH2+]CC(=O)NC1CC1)C(=O)Cc1[nH]cc[nH+]1 ZINC001482959989 917352673 /nfs/dbraw/zinc/35/26/73/917352673.db2.gz LIJHMQJDBLTKRU-UHFFFAOYSA-N 2 2 293.371 -0.331 20 0 CBADLP Cn1ncc(C[NH2+]C/C=C/CNC(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001483044931 917388663 /nfs/dbraw/zinc/38/86/63/917388663.db2.gz SWQFDYDHADIVGY-ITDFMYJTSA-N 2 2 292.387 -0.329 20 0 CBADLP Cn1ncc(C[NH2+]C/C=C/CNC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001483044931 917388678 /nfs/dbraw/zinc/38/86/78/917388678.db2.gz SWQFDYDHADIVGY-ITDFMYJTSA-N 2 2 292.387 -0.329 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC/C=C/C[NH2+][C@H]1CCNC1=O ZINC001483065997 917395116 /nfs/dbraw/zinc/39/51/16/917395116.db2.gz YOQRKNXFKLRJJZ-GXFZAYBSSA-N 2 2 277.328 -0.897 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001483171615 917447411 /nfs/dbraw/zinc/44/74/11/917447411.db2.gz ZRCQBZQMFPNUCT-MNOVXSKESA-N 2 2 281.360 -0.326 20 0 CBADLP C[C@H](C[NH2+]Cc1cnnn1C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001483170861 917448650 /nfs/dbraw/zinc/44/86/50/917448650.db2.gz VXHPGMIVAPIRCW-SECBINFHSA-N 2 2 277.332 -0.625 20 0 CBADLP CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001483251239 917491872 /nfs/dbraw/zinc/49/18/72/917491872.db2.gz RBIKUQRRDWRNFW-MJBXVCDLSA-N 2 2 299.415 -0.020 20 0 CBADLP C[C@@H]([NH2+]C[C@H](C)NC(=O)CCn1cc[nH+]c1)C(=O)N(C)C ZINC001483253976 917494611 /nfs/dbraw/zinc/49/46/11/917494611.db2.gz XUXUGMHLEDCZQK-NWDGAFQWSA-N 2 2 295.387 -0.156 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C[NH2+][C@@H](C)C(=O)N(C)C ZINC001483286713 917506184 /nfs/dbraw/zinc/50/61/84/917506184.db2.gz DUIMIWJLSSIWIJ-ONGXEEELSA-N 2 2 295.387 -0.168 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@H](C)C[N@H+](C)CC(=O)N(C)C ZINC001483419734 917555798 /nfs/dbraw/zinc/55/57/98/917555798.db2.gz JTUOMCBTZHUAPV-LLVKDONJSA-N 2 2 295.387 -0.284 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@H](C)C[N@@H+](C)CC(=O)N(C)C ZINC001483419734 917555811 /nfs/dbraw/zinc/55/58/11/917555811.db2.gz JTUOMCBTZHUAPV-LLVKDONJSA-N 2 2 295.387 -0.284 20 0 CBADLP NC(=O)C[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001483442899 917562258 /nfs/dbraw/zinc/56/22/58/917562258.db2.gz NRVQHXAQEQFVGK-MNOVXSKESA-N 2 2 293.371 -0.298 20 0 CBADLP COC[C@H](O)C[N@@H+]1CC[C@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001483700511 917641094 /nfs/dbraw/zinc/64/10/94/917641094.db2.gz CHRXCDOBDISCSA-QWHCGFSZSA-N 2 2 296.371 -0.611 20 0 CBADLP COC[C@H](O)C[N@H+]1CC[C@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001483700511 917641103 /nfs/dbraw/zinc/64/11/03/917641103.db2.gz CHRXCDOBDISCSA-QWHCGFSZSA-N 2 2 296.371 -0.611 20 0 CBADLP C[C@@H](O)C[N@@H+]1CC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001483695870 917641982 /nfs/dbraw/zinc/64/19/82/917641982.db2.gz SQRNUXFFGJICNV-MNOVXSKESA-N 2 2 266.345 -0.466 20 0 CBADLP C[C@@H](O)C[N@H+]1CC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001483695870 917641998 /nfs/dbraw/zinc/64/19/98/917641998.db2.gz SQRNUXFFGJICNV-MNOVXSKESA-N 2 2 266.345 -0.466 20 0 CBADLP CCCNC(=O)C[NH2+]C1(CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001483778538 917680568 /nfs/dbraw/zinc/68/05/68/917680568.db2.gz FAILIKPDMSCWNP-UHFFFAOYSA-N 2 2 293.371 -0.283 20 0 CBADLP CC[N@H+](C)CCC(=O)NCC1([NH2+]Cc2nncn2C)CC1 ZINC001483781017 917681410 /nfs/dbraw/zinc/68/14/10/917681410.db2.gz FAOKXHKFXFACHE-UHFFFAOYSA-N 2 2 294.403 -0.105 20 0 CBADLP CC[N@@H+](C)CCC(=O)NCC1([NH2+]Cc2nncn2C)CC1 ZINC001483781017 917681420 /nfs/dbraw/zinc/68/14/20/917681420.db2.gz FAOKXHKFXFACHE-UHFFFAOYSA-N 2 2 294.403 -0.105 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H]2C[NH2+]CCF)C1 ZINC001483924171 917704005 /nfs/dbraw/zinc/70/40/05/917704005.db2.gz GPJPUPFWDDVKCE-NEPJUHHUSA-N 2 2 273.352 -0.133 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H]2C[NH2+]CCF)C1 ZINC001483924171 917704012 /nfs/dbraw/zinc/70/40/12/917704012.db2.gz GPJPUPFWDDVKCE-NEPJUHHUSA-N 2 2 273.352 -0.133 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+]1CC[C@@](C)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001484075191 917736929 /nfs/dbraw/zinc/73/69/29/917736929.db2.gz WBVUBHCASOQJLP-BXUZGUMPSA-N 2 2 293.371 -0.272 20 0 CBADLP CC[C@H](C(N)=O)[N@H+]1CC[C@@](C)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001484075191 917736937 /nfs/dbraw/zinc/73/69/37/917736937.db2.gz WBVUBHCASOQJLP-BXUZGUMPSA-N 2 2 293.371 -0.272 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NC[C@]1(O)CC[N@H+](CCF)C1 ZINC001484229328 917782005 /nfs/dbraw/zinc/78/20/05/917782005.db2.gz HEMWQOJMZUYRSX-CYBMUJFWSA-N 2 2 284.335 -0.286 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NC[C@]1(O)CC[N@@H+](CCF)C1 ZINC001484229328 917782020 /nfs/dbraw/zinc/78/20/20/917782020.db2.gz HEMWQOJMZUYRSX-CYBMUJFWSA-N 2 2 284.335 -0.286 20 0 CBADLP C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C[NH2+]CC(N)=O ZINC001484380296 917837126 /nfs/dbraw/zinc/83/71/26/917837126.db2.gz HGRHKGQBPOMLBK-WDEREUQCSA-N 2 2 293.371 -0.868 20 0 CBADLP C[C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C[NH2+]CCO ZINC001484374266 917837603 /nfs/dbraw/zinc/83/76/03/917837603.db2.gz SIZFEGIYRCSCDE-QWHCGFSZSA-N 2 2 280.372 -0.050 20 0 CBADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCO[C@@H](C[NH2+]CCO)C1 ZINC001484680150 917923873 /nfs/dbraw/zinc/92/38/73/917923873.db2.gz KMMGWUBPOFUXCI-QJPTWQEYSA-N 2 2 294.355 -0.678 20 0 CBADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCO[C@@H](C[NH2+]CCO)C1 ZINC001484680150 917923882 /nfs/dbraw/zinc/92/38/82/917923882.db2.gz KMMGWUBPOFUXCI-QJPTWQEYSA-N 2 2 294.355 -0.678 20 0 CBADLP C[C@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1[NH2+]CC(N)=O ZINC001484910885 917962733 /nfs/dbraw/zinc/96/27/33/917962733.db2.gz YIQIPVPGJPWWIK-NWDGAFQWSA-N 2 2 293.371 -0.415 20 0 CBADLP C[C@@H](C(N)=O)[N@H+](C)C[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001485070723 917984168 /nfs/dbraw/zinc/98/41/68/917984168.db2.gz ZHEBEAWMNRJOCG-CMPLNLGQSA-N 2 2 293.371 -0.251 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+](C)C[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001485070723 917984178 /nfs/dbraw/zinc/98/41/78/917984178.db2.gz ZHEBEAWMNRJOCG-CMPLNLGQSA-N 2 2 293.371 -0.251 20 0 CBADLP CCNC(=O)C[NH2+]CC1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001485104833 917997844 /nfs/dbraw/zinc/99/78/44/917997844.db2.gz HTQTYDOEIJIYST-UHFFFAOYSA-N 2 2 293.371 -0.427 20 0 CBADLP C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H](C)[NH2+]CC(=O)N1CCC1 ZINC001485206970 918028530 /nfs/dbraw/zinc/02/85/30/918028530.db2.gz SFELQRZEYLKPHE-WDEREUQCSA-N 2 2 293.371 -0.333 20 0 CBADLP CN(CC(C)(C)C[NH2+]CC(N)=O)C(=O)CCc1c[nH]c[nH+]1 ZINC001485253903 918037831 /nfs/dbraw/zinc/03/78/31/918037831.db2.gz JTHJPRNXJFEAKF-UHFFFAOYSA-N 2 2 295.387 -0.098 20 0 CBADLP CN(CC(C)(C)C[NH2+]CC(N)=O)C(=O)CCc1c[nH+]c[nH]1 ZINC001485253903 918037839 /nfs/dbraw/zinc/03/78/39/918037839.db2.gz JTHJPRNXJFEAKF-UHFFFAOYSA-N 2 2 295.387 -0.098 20 0 CBADLP COC[C@H](O)C[N@H+](C)[C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001485393395 918104079 /nfs/dbraw/zinc/10/40/79/918104079.db2.gz ALJLBNSZIISGJT-NWDGAFQWSA-N 2 2 284.360 -0.673 20 0 CBADLP COC[C@H](O)C[N@@H+](C)[C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001485393395 918104090 /nfs/dbraw/zinc/10/40/90/918104090.db2.gz ALJLBNSZIISGJT-NWDGAFQWSA-N 2 2 284.360 -0.673 20 0 CBADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[N@H+](C)[C@H]1CCCNC1=O ZINC001485395240 918108712 /nfs/dbraw/zinc/10/87/12/918108712.db2.gz LIQMKPGFZBQMPT-RYUDHWBXSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[N@@H+](C)[C@H]1CCCNC1=O ZINC001485395240 918108723 /nfs/dbraw/zinc/10/87/23/918108723.db2.gz LIQMKPGFZBQMPT-RYUDHWBXSA-N 2 2 293.371 -0.402 20 0 CBADLP CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001485537769 918141565 /nfs/dbraw/zinc/14/15/65/918141565.db2.gz STPSJNNOASFEES-LBPRGKRZSA-N 2 2 296.415 -0.345 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@H](C[NH2+]CCCO)C1 ZINC001485707514 918174710 /nfs/dbraw/zinc/17/47/10/918174710.db2.gz UCBXSMVKNKICQJ-HAQNSBGRSA-N 2 2 266.345 -0.250 20 0 CBADLP C[C@@H](CN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1)[NH2+]CCO ZINC001485893173 918221088 /nfs/dbraw/zinc/22/10/88/918221088.db2.gz IJXVKVZEXHWMCV-RYUDHWBXSA-N 2 2 280.372 -0.126 20 0 CBADLP CC[C@@H]([NH2+][C@@H](C)CN(C)C(=O)Cc1c[nH+]c[nH]1)C(N)=O ZINC001485925102 918230210 /nfs/dbraw/zinc/23/02/10/918230210.db2.gz ADGKWMILZDHKOO-GXSJLCMTSA-N 2 2 281.360 -0.347 20 0 CBADLP C[C@H](CN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1)[NH2+]CC(N)=O ZINC001485934038 918236444 /nfs/dbraw/zinc/23/64/44/918236444.db2.gz ZUZFYHLLKFTLEQ-NXEZZACHSA-N 2 2 281.360 -0.490 20 0 CBADLP C[C@@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+][C@@H](C)C(N)=O ZINC001485961820 918242072 /nfs/dbraw/zinc/24/20/72/918242072.db2.gz HAABBYLYPBJOQJ-UWVGGRQHSA-N 2 2 267.333 -0.807 20 0 CBADLP CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001486011550 918303904 /nfs/dbraw/zinc/30/39/04/918303904.db2.gz VSRQEAAYTYAIMI-GHMZBOCLSA-N 2 2 266.345 -0.468 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H](CO)[NH2+]C[C@H]1CCCOC1 ZINC001486038221 918331758 /nfs/dbraw/zinc/33/17/58/918331758.db2.gz KURFCQDGURIEKN-DGCLKSJQSA-N 2 2 296.371 -0.555 20 0 CBADLP CC[C@@H](F)C[NH2+][C@H](CO)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001486036834 918332403 /nfs/dbraw/zinc/33/24/03/918332403.db2.gz AQENWQIPSHYNOZ-KOLCDFICSA-N 2 2 272.324 -0.233 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@H](CO)[NH2+]CCC(F)(F)F ZINC001486038917 918333464 /nfs/dbraw/zinc/33/34/64/918333464.db2.gz QQYQQJTVTNVDDM-VIFPVBQESA-N 2 2 294.277 -0.029 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H](CO)[NH2+]CC[C@H]1CCOC1 ZINC001486049178 918344879 /nfs/dbraw/zinc/34/48/79/918344879.db2.gz YNKOBSWAQUNKDI-NWDGAFQWSA-N 2 2 296.371 -0.555 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@@H](CO)[NH2+]C[C@H]1CCCOC1 ZINC001486067058 918354009 /nfs/dbraw/zinc/35/40/09/918354009.db2.gz YNRIETGVCCOBBV-OLZOCXBDSA-N 2 2 296.371 -0.624 20 0 CBADLP COCC[NH2+]C[C@@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001486300588 918417703 /nfs/dbraw/zinc/41/77/03/918417703.db2.gz FNOWLUXCAKDZGO-LLVKDONJSA-N 2 2 270.333 -0.993 20 0 CBADLP C[C@@H](O)C[NH2+]C[C@@H](O)CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001486311202 918423277 /nfs/dbraw/zinc/42/32/77/918423277.db2.gz GAXRKOXGWKURIU-GHMZBOCLSA-N 2 2 298.387 -0.523 20 0 CBADLP CC(C)N(CC[N@H+](C)CC(N)=O)C(=O)C12CC[NH+](CC1)C2 ZINC001486378544 918455167 /nfs/dbraw/zinc/45/51/67/918455167.db2.gz NAEYWQCDXIHELR-UHFFFAOYSA-N 2 2 296.415 -0.264 20 0 CBADLP CC(C)N(CC[N@@H+](C)CC(N)=O)C(=O)C12CC[NH+](CC1)C2 ZINC001486378544 918455174 /nfs/dbraw/zinc/45/51/74/918455174.db2.gz NAEYWQCDXIHELR-UHFFFAOYSA-N 2 2 296.415 -0.264 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@H](C[NH2+]CC(N)=O)C(C)(C)C ZINC001486419583 918459194 /nfs/dbraw/zinc/45/91/94/918459194.db2.gz DRBXZSGYLCINES-LLVKDONJSA-N 2 2 295.387 -0.432 20 0 CBADLP CCC[N@H+](C)CC(=O)N(C)C[C@H]1CC[NH+]1[C@@H](C)C(=O)NC ZINC001488687650 918757368 /nfs/dbraw/zinc/75/73/68/918757368.db2.gz UKZBVMICYZSXAG-QWHCGFSZSA-N 2 2 298.431 -0.005 20 0 CBADLP CCC[N@@H+](C)CC(=O)N(C)C[C@H]1CC[NH+]1[C@@H](C)C(=O)NC ZINC001488687650 918757382 /nfs/dbraw/zinc/75/73/82/918757382.db2.gz UKZBVMICYZSXAG-QWHCGFSZSA-N 2 2 298.431 -0.005 20 0 CBADLP CCC[NH+](C)CC(=O)N(C)C[C@H]1CC[N@@H+]1[C@@H](C)C(=O)NC ZINC001488687650 918757395 /nfs/dbraw/zinc/75/73/95/918757395.db2.gz UKZBVMICYZSXAG-QWHCGFSZSA-N 2 2 298.431 -0.005 20 0 CBADLP CCC[NH+](C)CC(=O)N(C)C[C@H]1CC[N@H+]1[C@@H](C)C(=O)NC ZINC001488687650 918757406 /nfs/dbraw/zinc/75/74/06/918757406.db2.gz UKZBVMICYZSXAG-QWHCGFSZSA-N 2 2 298.431 -0.005 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+](C)CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001490255550 918876690 /nfs/dbraw/zinc/87/66/90/918876690.db2.gz OQRKYKZIOYTHRX-SNVBAGLBSA-N 2 2 281.360 -0.475 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+](C)CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001490255550 918876699 /nfs/dbraw/zinc/87/66/99/918876699.db2.gz OQRKYKZIOYTHRX-SNVBAGLBSA-N 2 2 281.360 -0.475 20 0 CBADLP CNC(=O)[C@H](C)[N@H+](C)CCCNC(=O)Cc1[nH]c[nH+]c1C ZINC001490276987 918885692 /nfs/dbraw/zinc/88/56/92/918885692.db2.gz MOMBVMKWTWEUIL-NSHDSACASA-N 2 2 295.387 -0.167 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+](C)CCCNC(=O)Cc1[nH]c[nH+]c1C ZINC001490276987 918885705 /nfs/dbraw/zinc/88/57/05/918885705.db2.gz MOMBVMKWTWEUIL-NSHDSACASA-N 2 2 295.387 -0.167 20 0 CBADLP CC[N@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)[C@H]1CCNC1=O ZINC001490352266 918898011 /nfs/dbraw/zinc/89/80/11/918898011.db2.gz WYIHULXPUCUYJP-NSHDSACASA-N 2 2 293.371 -0.331 20 0 CBADLP CC[N@@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)[C@H]1CCNC1=O ZINC001490352266 918898030 /nfs/dbraw/zinc/89/80/30/918898030.db2.gz WYIHULXPUCUYJP-NSHDSACASA-N 2 2 293.371 -0.331 20 0 CBADLP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001490549068 918935515 /nfs/dbraw/zinc/93/55/15/918935515.db2.gz WXSXPSRVQJTAFK-VXGBXAGGSA-N 2 2 282.388 -0.463 20 0 CBADLP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001490549068 918935523 /nfs/dbraw/zinc/93/55/23/918935523.db2.gz WXSXPSRVQJTAFK-VXGBXAGGSA-N 2 2 282.388 -0.463 20 0 CBADLP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001490549068 918935532 /nfs/dbraw/zinc/93/55/32/918935532.db2.gz WXSXPSRVQJTAFK-VXGBXAGGSA-N 2 2 282.388 -0.463 20 0 CBADLP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001490549068 918935543 /nfs/dbraw/zinc/93/55/43/918935543.db2.gz WXSXPSRVQJTAFK-VXGBXAGGSA-N 2 2 282.388 -0.463 20 0 CBADLP O=C(NC[C@H]([NH2+]CCO)C1CC1)[C@H]1CCn2cc[nH+]c2C1 ZINC001490685071 918961085 /nfs/dbraw/zinc/96/10/85/918961085.db2.gz WZLSTOMQYFPWBP-STQMWFEESA-N 2 2 292.383 -0.078 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)N[C@H]1C[C@@H]([NH2+]CCCO)C1 ZINC001491075953 919024723 /nfs/dbraw/zinc/02/47/23/919024723.db2.gz MMNJOMKWGVTBDA-TXEJJXNPSA-N 2 2 280.372 -0.028 20 0 CBADLP C[C@@H]1[C@H](C(=O)NCCNC(=O)Cn2cc[nH+]c2)CC[N@@H+]1C ZINC001491336108 919118149 /nfs/dbraw/zinc/11/81/49/919118149.db2.gz AKUYNWGSNHLFRB-VXGBXAGGSA-N 2 2 293.371 -0.544 20 0 CBADLP C[C@@H]1[C@H](C(=O)NCCNC(=O)Cn2cc[nH+]c2)CC[N@H+]1C ZINC001491336108 919118159 /nfs/dbraw/zinc/11/81/59/919118159.db2.gz AKUYNWGSNHLFRB-VXGBXAGGSA-N 2 2 293.371 -0.544 20 0 CBADLP C[NH+](C)CCC(=O)NCCNC(=O)CCn1cc[nH+]c1 ZINC001491481736 919177824 /nfs/dbraw/zinc/17/78/24/919177824.db2.gz BYVGKRDALICJCA-UHFFFAOYSA-N 2 2 281.360 -0.543 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001491591355 919221101 /nfs/dbraw/zinc/22/11/01/919221101.db2.gz VURPCUAIWNPPKT-IUCAKERBSA-N 2 2 267.333 -0.819 20 0 CBADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+][C@@H](C)C(=O)N(C)C ZINC001491695136 919257495 /nfs/dbraw/zinc/25/74/95/919257495.db2.gz ZHGCWHPWHHETBU-MNOVXSKESA-N 2 2 281.360 -0.546 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCCCNC(=O)CC[NH+](C)C ZINC001491760584 919267212 /nfs/dbraw/zinc/26/72/12/919267212.db2.gz NYZATENGJSJUPO-UHFFFAOYSA-N 2 2 295.387 -0.165 20 0 CBADLP C[C@@H](CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1)[NH2+]CCO ZINC001492047394 919317678 /nfs/dbraw/zinc/31/76/78/919317678.db2.gz PIDKOZCSUMMOJM-NWDGAFQWSA-N 2 2 280.372 -0.078 20 0 CBADLP C[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)CC(=O)N1CCC1 ZINC001492215452 919355372 /nfs/dbraw/zinc/35/53/72/919355372.db2.gz VHKRRUOVIOGMIP-GFCCVEGCSA-N 2 2 282.388 -0.639 20 0 CBADLP C[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)CC(=O)N1CCC1 ZINC001492215452 919355385 /nfs/dbraw/zinc/35/53/85/919355385.db2.gz VHKRRUOVIOGMIP-GFCCVEGCSA-N 2 2 282.388 -0.639 20 0 CBADLP C[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)CC(=O)N1CCC1 ZINC001492215452 919355399 /nfs/dbraw/zinc/35/53/99/919355399.db2.gz VHKRRUOVIOGMIP-GFCCVEGCSA-N 2 2 282.388 -0.639 20 0 CBADLP C[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)CC(=O)N1CCC1 ZINC001492215452 919355413 /nfs/dbraw/zinc/35/54/13/919355413.db2.gz VHKRRUOVIOGMIP-GFCCVEGCSA-N 2 2 282.388 -0.639 20 0 CBADLP Cn1cc(C[N@H+](C)CCNC(=O)[C@H]2C[NH+](C)CCO2)cn1 ZINC001492221308 919358205 /nfs/dbraw/zinc/35/82/05/919358205.db2.gz SVUZCIAHCPVPKN-CYBMUJFWSA-N 2 2 295.387 -0.701 20 0 CBADLP Cn1cc(C[N@@H+](C)CCNC(=O)[C@H]2C[NH+](C)CCO2)cn1 ZINC001492221308 919358222 /nfs/dbraw/zinc/35/82/22/919358222.db2.gz SVUZCIAHCPVPKN-CYBMUJFWSA-N 2 2 295.387 -0.701 20 0 CBADLP Cn1cc(C[NH+](C)CCNC(=O)[C@H]2C[N@H+](C)CCO2)cn1 ZINC001492221308 919358228 /nfs/dbraw/zinc/35/82/28/919358228.db2.gz SVUZCIAHCPVPKN-CYBMUJFWSA-N 2 2 295.387 -0.701 20 0 CBADLP Cn1cc(C[NH+](C)CCNC(=O)[C@H]2C[N@@H+](C)CCO2)cn1 ZINC001492221308 919358244 /nfs/dbraw/zinc/35/82/44/919358244.db2.gz SVUZCIAHCPVPKN-CYBMUJFWSA-N 2 2 295.387 -0.701 20 0 CBADLP CNC(=O)C[N@H+](C)CCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001492304191 919388596 /nfs/dbraw/zinc/38/85/96/919388596.db2.gz TWGCYNBTZYSIAQ-QWHCGFSZSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001492304191 919388610 /nfs/dbraw/zinc/38/86/10/919388610.db2.gz TWGCYNBTZYSIAQ-QWHCGFSZSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[NH+](C)CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001492304191 919388627 /nfs/dbraw/zinc/38/86/27/919388627.db2.gz TWGCYNBTZYSIAQ-QWHCGFSZSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[NH+](C)CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001492304191 919388648 /nfs/dbraw/zinc/38/86/48/919388648.db2.gz TWGCYNBTZYSIAQ-QWHCGFSZSA-N 2 2 296.415 -0.203 20 0 CBADLP C[C@H](O)C[N@H+](C)CCNC(=O)CCc1c[nH+]cn1C ZINC001492834892 919433657 /nfs/dbraw/zinc/43/36/57/919433657.db2.gz ARGOBTVMUGGKPD-NSHDSACASA-N 2 2 268.361 -0.219 20 0 CBADLP C[C@H](O)C[N@@H+](C)CCNC(=O)CCc1c[nH+]cn1C ZINC001492834892 919433666 /nfs/dbraw/zinc/43/36/66/919433666.db2.gz ARGOBTVMUGGKPD-NSHDSACASA-N 2 2 268.361 -0.219 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001493267655 919513300 /nfs/dbraw/zinc/51/33/00/919513300.db2.gz AGOHYSUTYFLXLE-LLVKDONJSA-N 2 2 279.344 -0.933 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001493267655 919513306 /nfs/dbraw/zinc/51/33/06/919513306.db2.gz AGOHYSUTYFLXLE-LLVKDONJSA-N 2 2 279.344 -0.933 20 0 CBADLP CN(CC[NH2+]CCO)C(=O)c1cccc2[nH+]ccn21 ZINC001493629180 919593963 /nfs/dbraw/zinc/59/39/63/919593963.db2.gz NFMMPIRQSVGAEQ-UHFFFAOYSA-N 2 2 262.313 -0.012 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCC[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001494077600 919652895 /nfs/dbraw/zinc/65/28/95/919652895.db2.gz YROFJVOBRYMQPT-NSHDSACASA-N 2 2 293.371 -0.426 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCC[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001494077600 919652906 /nfs/dbraw/zinc/65/29/06/919652906.db2.gz YROFJVOBRYMQPT-NSHDSACASA-N 2 2 293.371 -0.426 20 0 CBADLP CC(C)CNC(=O)C[NH+]1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001494591213 919744354 /nfs/dbraw/zinc/74/43/54/919744354.db2.gz RJWAMMQOVNHAGF-UHFFFAOYSA-N 2 2 298.431 -0.242 20 0 CBADLP CC[N@H+](C)CCC(=O)NCC1C[NH+]([C@H](C)C(N)=O)C1 ZINC001494611077 919749199 /nfs/dbraw/zinc/74/91/99/919749199.db2.gz GOYNJXMNDWIXSG-SNVBAGLBSA-N 2 2 270.377 -0.750 20 0 CBADLP CC[N@@H+](C)CCC(=O)NCC1C[NH+]([C@H](C)C(N)=O)C1 ZINC001494611077 919749205 /nfs/dbraw/zinc/74/92/05/919749205.db2.gz GOYNJXMNDWIXSG-SNVBAGLBSA-N 2 2 270.377 -0.750 20 0 CBADLP CC[N@H+](C)CCC(=O)NCC1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001494611076 919750802 /nfs/dbraw/zinc/75/08/02/919750802.db2.gz GOYNJXMNDWIXSG-JTQLQIEISA-N 2 2 270.377 -0.750 20 0 CBADLP CC[N@@H+](C)CCC(=O)NCC1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001494611076 919750816 /nfs/dbraw/zinc/75/08/16/919750816.db2.gz GOYNJXMNDWIXSG-JTQLQIEISA-N 2 2 270.377 -0.750 20 0 CBADLP CC[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CCCO ZINC001495119601 919869731 /nfs/dbraw/zinc/86/97/31/919869731.db2.gz ZELFYHWRQFSEAG-NSHDSACASA-N 2 2 254.334 -0.250 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)NC2(C[NH2+]CCCO)CCCC2)C1 ZINC001495139946 919871813 /nfs/dbraw/zinc/87/18/13/919871813.db2.gz OZEHIYDDWBLMKL-ZDUSSCGKSA-N 2 2 299.415 -0.282 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)NC2(C[NH2+]CCCO)CCCC2)C1 ZINC001495139946 919871829 /nfs/dbraw/zinc/87/18/29/919871829.db2.gz OZEHIYDDWBLMKL-ZDUSSCGKSA-N 2 2 299.415 -0.282 20 0 CBADLP C[C@H](O)C[NH2+]CC1(NC(=O)[C@@H]2C[N@H+](C)CCO2)CCCC1 ZINC001495140950 919873274 /nfs/dbraw/zinc/87/32/74/919873274.db2.gz VJLYGCPGBAOTBC-STQMWFEESA-N 2 2 299.415 -0.284 20 0 CBADLP C[C@H](O)C[NH2+]CC1(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CCCC1 ZINC001495140950 919873284 /nfs/dbraw/zinc/87/32/84/919873284.db2.gz VJLYGCPGBAOTBC-STQMWFEESA-N 2 2 299.415 -0.284 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)C[NH2+]CCO ZINC001495693992 919926621 /nfs/dbraw/zinc/92/66/21/919926621.db2.gz GGVLHUIIGDNLLH-NWDGAFQWSA-N 2 2 280.372 -0.220 20 0 CBADLP COCC[N@@H+]1CCO[C@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001495880929 919978694 /nfs/dbraw/zinc/97/86/94/919978694.db2.gz BYBFWZZOLZLIQQ-CYBMUJFWSA-N 2 2 296.371 -0.345 20 0 CBADLP COCC[N@H+]1CCO[C@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001495880929 919978709 /nfs/dbraw/zinc/97/87/09/919978709.db2.gz BYBFWZZOLZLIQQ-CYBMUJFWSA-N 2 2 296.371 -0.345 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C(C)C ZINC001496607905 920096129 /nfs/dbraw/zinc/09/61/29/920096129.db2.gz ODPQNTCJXLKETE-PWSUYJOCSA-N 2 2 295.387 -0.183 20 0 CBADLP C[C@@H]1CC[N@H+](CC(=O)N(C)CC[NH+](C)CC(=O)N(C)C)C1 ZINC001496780227 920128636 /nfs/dbraw/zinc/12/86/36/920128636.db2.gz DVPQXKJLUSHCFS-CYBMUJFWSA-N 2 2 298.431 -0.193 20 0 CBADLP C[C@@H]1CC[N@@H+](CC(=O)N(C)CC[NH+](C)CC(=O)N(C)C)C1 ZINC001496780227 920128640 /nfs/dbraw/zinc/12/86/40/920128640.db2.gz DVPQXKJLUSHCFS-CYBMUJFWSA-N 2 2 298.431 -0.193 20 0 CBADLP C[C@@H]1CC[NH+](CC(=O)N(C)CC[N@H+](C)CC(=O)N(C)C)C1 ZINC001496780227 920128645 /nfs/dbraw/zinc/12/86/45/920128645.db2.gz DVPQXKJLUSHCFS-CYBMUJFWSA-N 2 2 298.431 -0.193 20 0 CBADLP C[C@@H]1CC[NH+](CC(=O)N(C)CC[N@@H+](C)CC(=O)N(C)C)C1 ZINC001496780227 920128648 /nfs/dbraw/zinc/12/86/48/920128648.db2.gz DVPQXKJLUSHCFS-CYBMUJFWSA-N 2 2 298.431 -0.193 20 0 CBADLP CN(CC[N@H+](C)CC(N)=O)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001496816011 920133470 /nfs/dbraw/zinc/13/34/70/920133470.db2.gz ATHPWEVYEVWIBZ-OLZOCXBDSA-N 2 2 298.431 -0.018 20 0 CBADLP CN(CC[N@@H+](C)CC(N)=O)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001496816011 920133477 /nfs/dbraw/zinc/13/34/77/920133477.db2.gz ATHPWEVYEVWIBZ-OLZOCXBDSA-N 2 2 298.431 -0.018 20 0 CBADLP CCCNC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001496835499 920140903 /nfs/dbraw/zinc/14/09/03/920140903.db2.gz KQLOHGGEOWQVPG-CYBMUJFWSA-N 2 2 298.431 -0.146 20 0 CBADLP CCCNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001496835499 920140913 /nfs/dbraw/zinc/14/09/13/920140913.db2.gz KQLOHGGEOWQVPG-CYBMUJFWSA-N 2 2 298.431 -0.146 20 0 CBADLP CCCNC(=O)C[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001496835499 920140921 /nfs/dbraw/zinc/14/09/21/920140921.db2.gz KQLOHGGEOWQVPG-CYBMUJFWSA-N 2 2 298.431 -0.146 20 0 CBADLP CCCNC(=O)C[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001496835499 920140931 /nfs/dbraw/zinc/14/09/31/920140931.db2.gz KQLOHGGEOWQVPG-CYBMUJFWSA-N 2 2 298.431 -0.146 20 0 CBADLP O=C(CCn1cc[nH+]c1)NC[C@H](O)C[NH2+]CCF ZINC001497027361 920212598 /nfs/dbraw/zinc/21/25/98/920212598.db2.gz DIPPXVWMZYFBJE-SNVBAGLBSA-N 2 2 258.297 -0.691 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@H](O)C[NH2+]Cc1cncs1 ZINC001497064670 920235276 /nfs/dbraw/zinc/23/52/76/920235276.db2.gz VYILCUXDZTWKMB-JTQLQIEISA-N 2 2 295.368 -0.324 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC[C@H](O)C[NH2+]CC1CC1 ZINC001497091442 920247207 /nfs/dbraw/zinc/24/72/07/920247207.db2.gz HWFJBEFJHSQYMI-GFCCVEGCSA-N 2 2 266.345 -0.561 20 0 CBADLP C[C@@H](CC[NH2+][C@@H]1CCNC1=O)NC(=O)Cn1cc[nH+]c1 ZINC001497338105 920286712 /nfs/dbraw/zinc/28/67/12/920286712.db2.gz YPMKRLVIUCXMRR-WDEREUQCSA-N 2 2 279.344 -0.744 20 0 CBADLP CCN(CC[NH2+][C@H](C)C(=O)NC)C(=O)Cc1[nH]cc[nH+]1 ZINC001497472467 920310122 /nfs/dbraw/zinc/31/01/22/920310122.db2.gz HKARVEQBNLMQHP-SNVBAGLBSA-N 2 2 281.360 -0.475 20 0 CBADLP O=C(NC/C=C\C[NH2+]CCO)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001497601717 920348538 /nfs/dbraw/zinc/34/85/38/920348538.db2.gz MASWNFDRGMRRTR-JLVKAVFRSA-N 2 2 264.329 -0.233 20 0 CBADLP O=C(NC/C=C\C[NH2+]CCO)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001497601717 920348554 /nfs/dbraw/zinc/34/85/54/920348554.db2.gz MASWNFDRGMRRTR-JLVKAVFRSA-N 2 2 264.329 -0.233 20 0 CBADLP C[C@H](C[NH2+][C@H]1CCCNC1=O)NC(=O)CCc1c[nH]c[nH+]1 ZINC001497826565 920403808 /nfs/dbraw/zinc/40/38/08/920403808.db2.gz DQSNPBFHGMLOAP-PWSUYJOCSA-N 2 2 293.371 -0.285 20 0 CBADLP C[C@H](C[NH2+][C@H]1CCCNC1=O)NC(=O)CCc1c[nH+]c[nH]1 ZINC001497826565 920403818 /nfs/dbraw/zinc/40/38/18/920403818.db2.gz DQSNPBFHGMLOAP-PWSUYJOCSA-N 2 2 293.371 -0.285 20 0 CBADLP C[C@@H](C[NH2+]CCO)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001498044713 920460386 /nfs/dbraw/zinc/46/03/86/920460386.db2.gz OPRONETXFSIXDQ-GXFFZTMASA-N 2 2 295.387 -0.123 20 0 CBADLP C[C@@H](C[NH2+]CCO)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001498044713 920460393 /nfs/dbraw/zinc/46/03/93/920460393.db2.gz OPRONETXFSIXDQ-GXFFZTMASA-N 2 2 295.387 -0.123 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[NH2+]Cc1cnon1 ZINC001498072658 920468032 /nfs/dbraw/zinc/46/80/32/920468032.db2.gz NQKVTGWINPPKKI-VIFPVBQESA-N 2 2 278.316 -0.131 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001498160638 920504270 /nfs/dbraw/zinc/50/42/70/920504270.db2.gz RMXAQNHZXVINLY-VHSXEESVSA-N 2 2 281.360 -0.809 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@H](C)C[N@H+](C)[C@H](C)C(N)=O ZINC001498460370 920594823 /nfs/dbraw/zinc/59/48/23/920594823.db2.gz ZJSQRGKVGRDCQH-NXEZZACHSA-N 2 2 281.360 -0.498 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@H](C)C[N@@H+](C)[C@H](C)C(N)=O ZINC001498460370 920594834 /nfs/dbraw/zinc/59/48/34/920594834.db2.gz ZJSQRGKVGRDCQH-NXEZZACHSA-N 2 2 281.360 -0.498 20 0 CBADLP CCN1CC[C@@H]([N@@H+]2CC[C@@H]2CNC(=O)CC[NH+](C)C)C1=O ZINC001499050047 920689393 /nfs/dbraw/zinc/68/93/93/920689393.db2.gz MHEHBFFKFSRFQV-CHWSQXEVSA-N 2 2 296.415 -0.251 20 0 CBADLP CCN1CC[C@@H]([N@H+]2CC[C@@H]2CNC(=O)CC[NH+](C)C)C1=O ZINC001499050047 920689403 /nfs/dbraw/zinc/68/94/03/920689403.db2.gz MHEHBFFKFSRFQV-CHWSQXEVSA-N 2 2 296.415 -0.251 20 0 CBADLP C[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+]1CC(=O)N1CCCC1 ZINC001499050956 920689913 /nfs/dbraw/zinc/68/99/13/920689913.db2.gz QJNVCFJZDRFZRW-CYBMUJFWSA-N 2 2 296.415 -0.249 20 0 CBADLP C[NH+](C)CCC(=O)NC[C@H]1CC[N@H+]1CC(=O)N1CCCC1 ZINC001499050956 920689927 /nfs/dbraw/zinc/68/99/27/920689927.db2.gz QJNVCFJZDRFZRW-CYBMUJFWSA-N 2 2 296.415 -0.249 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]Cc2nncn2C)CC1 ZINC001499458252 920753952 /nfs/dbraw/zinc/75/39/52/920753952.db2.gz CJYBNPNVMJVVLN-UHFFFAOYSA-N 2 2 294.403 -0.106 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NCC1([NH2+]Cc2nncn2C)CC1 ZINC001499458252 920753967 /nfs/dbraw/zinc/75/39/67/920753967.db2.gz CJYBNPNVMJVVLN-UHFFFAOYSA-N 2 2 294.403 -0.106 20 0 CBADLP C[C@H]1CC[N@H+](CC(=O)N[C@@]2(C)CC[NH+](CC(N)=O)C2)C1 ZINC001500257772 920819359 /nfs/dbraw/zinc/81/93/59/920819359.db2.gz MOYNAJTVSZHZKK-FZMZJTMJSA-N 2 2 282.388 -0.606 20 0 CBADLP C[C@H]1CC[N@@H+](CC(=O)N[C@@]2(C)CC[NH+](CC(N)=O)C2)C1 ZINC001500257772 920819369 /nfs/dbraw/zinc/81/93/69/920819369.db2.gz MOYNAJTVSZHZKK-FZMZJTMJSA-N 2 2 282.388 -0.606 20 0 CBADLP C[C@H]1CC[NH+](CC(=O)N[C@@]2(C)CC[N@H+](CC(N)=O)C2)C1 ZINC001500257772 920819387 /nfs/dbraw/zinc/81/93/87/920819387.db2.gz MOYNAJTVSZHZKK-FZMZJTMJSA-N 2 2 282.388 -0.606 20 0 CBADLP C[C@H]1CC[NH+](CC(=O)N[C@@]2(C)CC[N@@H+](CC(N)=O)C2)C1 ZINC001500257772 920819401 /nfs/dbraw/zinc/81/94/01/920819401.db2.gz MOYNAJTVSZHZKK-FZMZJTMJSA-N 2 2 282.388 -0.606 20 0 CBADLP C[C@@H](CC(=O)NC[C@]1(O)CC[N@H+](CCO)C1)n1cc[nH+]c1 ZINC001500733575 920870047 /nfs/dbraw/zinc/87/00/47/920870047.db2.gz XWPDTADVMFOIEA-GXTWGEPZSA-N 2 2 296.371 -0.621 20 0 CBADLP C[C@@H](CC(=O)NC[C@]1(O)CC[N@@H+](CCO)C1)n1cc[nH+]c1 ZINC001500733575 920870058 /nfs/dbraw/zinc/87/00/58/920870058.db2.gz XWPDTADVMFOIEA-GXTWGEPZSA-N 2 2 296.371 -0.621 20 0 CBADLP COC[C@H](C)[N@@H+]1CC[C@](O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001500743286 920870991 /nfs/dbraw/zinc/87/09/91/920870991.db2.gz KNDVTKNUJMSFLN-FZMZJTMJSA-N 2 2 296.371 -0.460 20 0 CBADLP COC[C@H](C)[N@H+]1CC[C@](O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001500743286 920871005 /nfs/dbraw/zinc/87/10/05/920871005.db2.gz KNDVTKNUJMSFLN-FZMZJTMJSA-N 2 2 296.371 -0.460 20 0 CBADLP C[C@H](CC(=O)NC[C@@]1(O)CC[N@H+](CCO)C1)n1cc[nH+]c1 ZINC001500733579 920871686 /nfs/dbraw/zinc/87/16/86/920871686.db2.gz XWPDTADVMFOIEA-OCCSQVGLSA-N 2 2 296.371 -0.621 20 0 CBADLP C[C@H](CC(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1)n1cc[nH+]c1 ZINC001500733579 920871704 /nfs/dbraw/zinc/87/17/04/920871704.db2.gz XWPDTADVMFOIEA-OCCSQVGLSA-N 2 2 296.371 -0.621 20 0 CBADLP COC[C@@H](C)[N@@H+]1CC[C@](O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001500743287 920872130 /nfs/dbraw/zinc/87/21/30/920872130.db2.gz KNDVTKNUJMSFLN-RISCZKNCSA-N 2 2 296.371 -0.460 20 0 CBADLP COC[C@@H](C)[N@H+]1CC[C@](O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001500743287 920872142 /nfs/dbraw/zinc/87/21/42/920872142.db2.gz KNDVTKNUJMSFLN-RISCZKNCSA-N 2 2 296.371 -0.460 20 0 CBADLP CC(C)[NH+](C)CC(=O)NC[C@H]1COCC[N@H+]1C[C@@H](C)O ZINC001501848197 921068377 /nfs/dbraw/zinc/06/83/77/921068377.db2.gz IRYIRIZVDMRMNL-OLZOCXBDSA-N 2 2 287.404 -0.476 20 0 CBADLP CC(C)[NH+](C)CC(=O)NC[C@H]1COCC[N@@H+]1C[C@@H](C)O ZINC001501848197 921068391 /nfs/dbraw/zinc/06/83/91/921068391.db2.gz IRYIRIZVDMRMNL-OLZOCXBDSA-N 2 2 287.404 -0.476 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NC[C@H]1COCC[NH+]1C[C@@H](C)O ZINC001501848197 921068400 /nfs/dbraw/zinc/06/84/00/921068400.db2.gz IRYIRIZVDMRMNL-OLZOCXBDSA-N 2 2 287.404 -0.476 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NC[C@H]1COCC[NH+]1C[C@@H](C)O ZINC001501848197 921068414 /nfs/dbraw/zinc/06/84/14/921068414.db2.gz IRYIRIZVDMRMNL-OLZOCXBDSA-N 2 2 287.404 -0.476 20 0 CBADLP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2COCC[NH+]2CCCO)C1 ZINC001501838795 921068510 /nfs/dbraw/zinc/06/85/10/921068510.db2.gz PVOLKBXZJQPBOH-KBPBESRZSA-N 2 2 299.415 -0.472 20 0 CBADLP C[N@H+]1CC[C@@H](CC(=O)NC[C@H]2COCC[NH+]2CCCO)C1 ZINC001501838795 921068522 /nfs/dbraw/zinc/06/85/22/921068522.db2.gz PVOLKBXZJQPBOH-KBPBESRZSA-N 2 2 299.415 -0.472 20 0 CBADLP C[NH+]1CC[C@@H](CC(=O)NC[C@H]2COCC[N@@H+]2CCCO)C1 ZINC001501838795 921068533 /nfs/dbraw/zinc/06/85/33/921068533.db2.gz PVOLKBXZJQPBOH-KBPBESRZSA-N 2 2 299.415 -0.472 20 0 CBADLP C[NH+]1CC[C@@H](CC(=O)NC[C@H]2COCC[N@H+]2CCCO)C1 ZINC001501838795 921068541 /nfs/dbraw/zinc/06/85/41/921068541.db2.gz PVOLKBXZJQPBOH-KBPBESRZSA-N 2 2 299.415 -0.472 20 0 CBADLP COC[C@@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001507570088 921868265 /nfs/dbraw/zinc/86/82/65/921868265.db2.gz XZPDWJMTXPGEOI-VXGBXAGGSA-N 2 2 284.360 -0.673 20 0 CBADLP C[C@@H](NC(=O)[C@@H](C)[C@H](C)[NH3+])[C@@H]1CN(C)CC[N@@H+]1C ZINC001515356306 922232478 /nfs/dbraw/zinc/23/24/78/922232478.db2.gz BEUOGUYVEMGIAA-YFKTTZPYSA-N 2 2 256.394 -0.280 20 0 CBADLP C[C@@H](NC(=O)[C@@H](C)[C@H](C)[NH3+])[C@@H]1CN(C)CC[N@H+]1C ZINC001515356306 922232492 /nfs/dbraw/zinc/23/24/92/922232492.db2.gz BEUOGUYVEMGIAA-YFKTTZPYSA-N 2 2 256.394 -0.280 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001515911112 922246892 /nfs/dbraw/zinc/24/68/92/922246892.db2.gz CHAKRVGNVWLZSH-NDBYEHHHSA-N 2 2 267.373 -0.369 20 0 CBADLP C[NH+](C)C[C@@]1(O)CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001520422514 922307266 /nfs/dbraw/zinc/30/72/66/922307266.db2.gz IVBHCZBJLFJBAD-ZDUSSCGKSA-N 2 2 266.345 -0.133 20 0 CBADLP [NH3+][C@H](CO)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC001521454683 922356210 /nfs/dbraw/zinc/35/62/10/922356210.db2.gz LLVHJZWBNJIINY-SNVBAGLBSA-N 2 2 269.370 -0.458 20 0 CBADLP [NH3+][C@H](CO)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC001521454683 922356221 /nfs/dbraw/zinc/35/62/21/922356221.db2.gz LLVHJZWBNJIINY-SNVBAGLBSA-N 2 2 269.370 -0.458 20 0 CBADLP CN1CC[C@@](C)(C(=O)NCC[NH+]2CCC([NH3+])CC2)C1=O ZINC001522639940 922492895 /nfs/dbraw/zinc/49/28/95/922492895.db2.gz OXMLSKSYPVSBKZ-AWEZNQCLSA-N 2 2 282.388 -0.606 20 0 CBADLP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001522639082 922492915 /nfs/dbraw/zinc/49/29/15/922492915.db2.gz JGDWCKRQHXHSSL-VXGBXAGGSA-N 3 2 268.405 -0.101 20 0 CBADLP CN1CCC[C@H](C(=O)NCC[NH+]2CCC([NH3+])CC2)C1=O ZINC001522640359 922494323 /nfs/dbraw/zinc/49/43/23/922494323.db2.gz RLWMWYBYSQBCAH-GFCCVEGCSA-N 2 2 282.388 -0.606 20 0 CBADLP C[C@H](C(=O)N1C[C@H]([NH3+])C(C)(C)C1)N1CC[NH2+]CC1=O ZINC001522706655 922509666 /nfs/dbraw/zinc/50/96/66/922509666.db2.gz JRJHJUOXYUCTFQ-ZJUUUORDSA-N 2 2 268.361 -0.998 20 0 CBADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC001522772802 922516213 /nfs/dbraw/zinc/51/62/13/922516213.db2.gz IRUGBRQPJNCQQP-GRYCIOLGSA-N 2 2 255.362 -0.049 20 0 CBADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC001522772803 922516706 /nfs/dbraw/zinc/51/67/06/922516706.db2.gz IRUGBRQPJNCQQP-TUAOUCFPSA-N 2 2 255.362 -0.049 20 0 CBADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1C[C@@H]1C[NH3+] ZINC001522771025 922516837 /nfs/dbraw/zinc/51/68/37/922516837.db2.gz BBDMXCYVYDQCOR-GRYCIOLGSA-N 2 2 255.362 -0.192 20 0 CBADLP C[C@H](C(=O)N1CCC[C@]([NH3+])(CO)C1)n1cc[nH+]c1 ZINC001523009063 922557906 /nfs/dbraw/zinc/55/79/06/922557906.db2.gz BECWXOSLFWLYHV-ZYHUDNBSSA-N 2 2 252.318 -0.244 20 0 CBADLP CC[N@@H+]1CC[C@@H]1C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC001543383395 923288998 /nfs/dbraw/zinc/28/89/98/923288998.db2.gz KIDQNWHOWKKPDW-VXGBXAGGSA-N 2 2 254.378 -0.557 20 0 CBADLP CC[N@H+]1CC[C@@H]1C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC001543383395 923289008 /nfs/dbraw/zinc/28/90/08/923289008.db2.gz KIDQNWHOWKKPDW-VXGBXAGGSA-N 2 2 254.378 -0.557 20 0 CBADLP CC[NH+]1CC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001543383395 923289030 /nfs/dbraw/zinc/28/90/30/923289030.db2.gz KIDQNWHOWKKPDW-VXGBXAGGSA-N 2 2 254.378 -0.557 20 0 CBADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C[C@H](O)C[NH3+])CC1 ZINC001548555606 923378869 /nfs/dbraw/zinc/37/88/69/923378869.db2.gz TYWDFFZCRBJFFB-OCCSQVGLSA-N 2 2 292.383 -0.004 20 0 CBADLP O=C(C1=NO[C@@]2(C1)CCC[NH2+]C2)N1CC[NH+](CCO)CC1 ZINC001548557039 923380842 /nfs/dbraw/zinc/38/08/42/923380842.db2.gz FCHRFLSQWPUHMR-CQSZACIVSA-N 2 2 296.371 -0.979 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@@H]2C[N@@H+]3CCN2C[C@H]3C)CC1 ZINC001548647798 923425191 /nfs/dbraw/zinc/42/51/91/923425191.db2.gz XLOFECARPLTJCT-KGLIPLIRSA-N 2 2 296.415 -0.835 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@@H]2C[N@H+]3CCN2C[C@H]3C)CC1 ZINC001548647798 923425200 /nfs/dbraw/zinc/42/52/00/923425200.db2.gz XLOFECARPLTJCT-KGLIPLIRSA-N 2 2 296.415 -0.835 20 0 CBADLP O=C(c1n[nH]c2c1C[NH2+]CC2)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC001549044986 923536628 /nfs/dbraw/zinc/53/66/28/923536628.db2.gz NEYGLMHZWYNADQ-VXGBXAGGSA-N 2 2 291.355 -0.742 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CCC[C@H]1[N@@H+]1CC[C@@H](O)C1 ZINC001549115552 923558247 /nfs/dbraw/zinc/55/82/47/923558247.db2.gz UPEMMLHHUFUJAL-JHJVBQTASA-N 2 2 278.356 -0.013 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CCC[C@H]1[N@H+]1CC[C@@H](O)C1 ZINC001549115552 923558257 /nfs/dbraw/zinc/55/82/57/923558257.db2.gz UPEMMLHHUFUJAL-JHJVBQTASA-N 2 2 278.356 -0.013 20 0 CBADLP [NH3+]C[C@]12CCC[C@@H]1CN(C(=O)CN1CC[NH2+]CC1=O)C2 ZINC001549130546 923559330 /nfs/dbraw/zinc/55/93/30/923559330.db2.gz MJEGIPHCARWQQN-RISCZKNCSA-N 2 2 280.372 -0.994 20 0 CBADLP Cn1cnc([C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@@H]2[NH3+])c1 ZINC001549746206 923639658 /nfs/dbraw/zinc/63/96/58/923639658.db2.gz HXXGARRQQSSXPL-NEPJUHHUSA-N 2 2 288.355 -0.040 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC001550060509 923664502 /nfs/dbraw/zinc/66/45/02/923664502.db2.gz JAYWIBRRUDNONN-VXGBXAGGSA-N 2 2 264.329 -0.150 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC001550068306 923666250 /nfs/dbraw/zinc/66/62/50/923666250.db2.gz YZQXNVAUEIGSMC-NWDGAFQWSA-N 2 2 288.355 -0.053 20 0 CBADLP O=C(C[N@@H+]1CCOC[C@@H]1C[C@@H]1CCOC1)N1CC[NH2+]CC1 ZINC001551394661 923773978 /nfs/dbraw/zinc/77/39/78/923773978.db2.gz AHEUSAWBIAAOLC-KBPBESRZSA-N 2 2 297.399 -0.454 20 0 CBADLP O=C(C[N@H+]1CCOC[C@@H]1C[C@@H]1CCOC1)N1CC[NH2+]CC1 ZINC001551394661 923773993 /nfs/dbraw/zinc/77/39/93/923773993.db2.gz AHEUSAWBIAAOLC-KBPBESRZSA-N 2 2 297.399 -0.454 20 0 CBADLP CC(C)(CNC(=O)[C@@]12C[NH2+]C[C@H]1COC2)[NH+]1CCOCC1 ZINC001552199841 923854802 /nfs/dbraw/zinc/85/48/02/923854802.db2.gz KRGAXANBXFGHEK-SWLSCSKDSA-N 2 2 297.399 -0.551 20 0 CBADLP O=C(NCCn1cc[nH+]c1)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552199464 923856261 /nfs/dbraw/zinc/85/62/61/923856261.db2.gz FVRDPZFPLYLGEY-PWSUYJOCSA-N 2 2 250.302 -0.765 20 0 CBADLP Cc1[nH+]c[nH]c1CNC(=O)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552201121 923858531 /nfs/dbraw/zinc/85/85/31/923858531.db2.gz ROSUVFQETQZONI-JOYOIKCWSA-N 2 2 250.302 -0.430 20 0 CBADLP CC1(C)C[N@H+](CCNC(=O)[C@]23C[NH2+]C[C@@H]2COC3)CCO1 ZINC001552200948 923858648 /nfs/dbraw/zinc/85/86/48/923858648.db2.gz HXBOJZOXIMNLAX-DOMZBBRYSA-N 2 2 297.399 -0.551 20 0 CBADLP CC1(C)C[N@@H+](CCNC(=O)[C@]23C[NH2+]C[C@@H]2COC3)CCO1 ZINC001552200948 923858651 /nfs/dbraw/zinc/85/86/51/923858651.db2.gz HXBOJZOXIMNLAX-DOMZBBRYSA-N 2 2 297.399 -0.551 20 0 CBADLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552201546 923859965 /nfs/dbraw/zinc/85/99/65/923859965.db2.gz QJELLKYKAPAHBH-DOMZBBRYSA-N 2 2 297.399 -0.551 20 0 CBADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552201546 923859980 /nfs/dbraw/zinc/85/99/80/923859980.db2.gz QJELLKYKAPAHBH-DOMZBBRYSA-N 2 2 297.399 -0.551 20 0 CBADLP O=C(NCCc1[nH]cc[nH+]1)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552201612 923860402 /nfs/dbraw/zinc/86/04/02/923860402.db2.gz UNOPPDHTKNCVJA-BXKDBHETSA-N 2 2 250.302 -0.696 20 0 CBADLP [NH3+]CC1CC(NC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC001552339222 923887590 /nfs/dbraw/zinc/88/75/90/923887590.db2.gz GXDNWHGDQMIHDP-BPNZPQAUSA-N 2 2 282.388 -0.114 20 0 CBADLP [NH3+]CC1CC(NC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC001552339222 923887598 /nfs/dbraw/zinc/88/75/98/923887598.db2.gz GXDNWHGDQMIHDP-BPNZPQAUSA-N 2 2 282.388 -0.114 20 0 CBADLP O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)N[C@@H]1C[NH2+]C[C@H]1F ZINC001552356177 923890562 /nfs/dbraw/zinc/89/05/62/923890562.db2.gz UAUNPPHHBMIYIU-WRWGMCAJSA-N 2 2 286.351 -0.541 20 0 CBADLP O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)N[C@@H]1C[NH2+]C[C@H]1F ZINC001552356177 923890572 /nfs/dbraw/zinc/89/05/72/923890572.db2.gz UAUNPPHHBMIYIU-WRWGMCAJSA-N 2 2 286.351 -0.541 20 0 CBADLP CCO[C@H]1C[N@H+](Cc2cnn3c2C[NH2+]CC3)C[C@H]1C[NH3+] ZINC001552687092 923917421 /nfs/dbraw/zinc/91/74/21/923917421.db2.gz NOFLMTSGKWKPMH-RISCZKNCSA-N 3 2 279.388 -0.218 20 0 CBADLP CCO[C@H]1C[N@@H+](Cc2cnn3c2C[NH2+]CC3)C[C@H]1C[NH3+] ZINC001552687092 923917425 /nfs/dbraw/zinc/91/74/25/923917425.db2.gz NOFLMTSGKWKPMH-RISCZKNCSA-N 3 2 279.388 -0.218 20 0 CBADLP C[N@@H+]1CC[C@@H]1CNC(=O)N1CC[C@@H](N2CC[NH+](C)CC2)C1 ZINC001553022428 923934514 /nfs/dbraw/zinc/93/45/14/923934514.db2.gz SLPYRDSMTPUXNW-ZIAGYGMSSA-N 2 2 295.431 -0.278 20 0 CBADLP C[N@H+]1CC[C@@H]1CNC(=O)N1CC[C@@H](N2CC[NH+](C)CC2)C1 ZINC001553022428 923934536 /nfs/dbraw/zinc/93/45/36/923934536.db2.gz SLPYRDSMTPUXNW-ZIAGYGMSSA-N 2 2 295.431 -0.278 20 0 CBADLP CN1CC[NH+]([C@@H]2CCN(C(=O)NC[C@H]3CC[N@@H+]3C)C2)CC1 ZINC001553022428 923934548 /nfs/dbraw/zinc/93/45/48/923934548.db2.gz SLPYRDSMTPUXNW-ZIAGYGMSSA-N 2 2 295.431 -0.278 20 0 CBADLP CN1CC[NH+]([C@@H]2CCN(C(=O)NC[C@H]3CC[N@H+]3C)C2)CC1 ZINC001553022428 923934557 /nfs/dbraw/zinc/93/45/57/923934557.db2.gz SLPYRDSMTPUXNW-ZIAGYGMSSA-N 2 2 295.431 -0.278 20 0 CBADLP CN(CC[NH+](C)C)C(=O)[C@H]1CC[C@@H](C[NH+]2CCOCC2)O1 ZINC001553118153 923944296 /nfs/dbraw/zinc/94/42/96/923944296.db2.gz LFMIUGPBTUXZBP-UONOGXRCSA-N 2 2 299.415 -0.114 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1CC[C@@H](C[NH+]2CCOCC2)O1)[NH+](C)C ZINC001553084210 923944945 /nfs/dbraw/zinc/94/49/45/923944945.db2.gz XPPNZVAVBQQPEN-RDBSUJKOSA-N 2 2 299.415 -0.068 20 0 CBADLP [NH3+]C1CCN(C(=O)[C@@H]2CC[C@@H](C[NH+]3CCOCC3)O2)CC1 ZINC001553342386 923951306 /nfs/dbraw/zinc/95/13/06/923951306.db2.gz CCKZOZRCQFMSSB-KBPBESRZSA-N 2 2 297.399 -0.184 20 0 CBADLP C[NH2+]CCNC(=O)[C@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001553353842 923955591 /nfs/dbraw/zinc/95/55/91/923955591.db2.gz IKJSWYNDJGZFLT-VXGBXAGGSA-N 2 2 271.361 -0.798 20 0 CBADLP CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1CC[C@@H](C[NH+]2CCOCC2)O1 ZINC001553353000 923956209 /nfs/dbraw/zinc/95/62/09/923956209.db2.gz AGSPRIUEXVJIJF-MJBXVCDLSA-N 2 2 299.415 -0.034 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1C[C@H]2OCC[C@@H]2[NH2+]1 ZINC001553409330 923982911 /nfs/dbraw/zinc/98/29/11/923982911.db2.gz NRZQXGROAFDDRT-NOOOWODRSA-N 2 2 264.329 -0.093 20 0 CBADLP CC(C)(CNC(=O)[C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1)[NH+]1CCOCC1 ZINC001553409625 923984354 /nfs/dbraw/zinc/98/43/54/923984354.db2.gz NWVJVOKIEYELCY-AVGNSLFASA-N 2 2 297.399 -0.267 20 0 CBADLP O=C(NCCn1cc[nH+]c1)N[C@H]1C[NH2+]CC12CCOCC2 ZINC001553415241 923989769 /nfs/dbraw/zinc/98/97/69/923989769.db2.gz HQABMURYQUOZBR-LBPRGKRZSA-N 2 2 293.371 -0.049 20 0 CBADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1 ZINC001553428247 923995286 /nfs/dbraw/zinc/99/52/86/923995286.db2.gz GPAUDWUEHIDEMI-RFGFWPKPSA-N 2 2 297.399 -0.267 20 0 CBADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1 ZINC001553428247 923995302 /nfs/dbraw/zinc/99/53/02/923995302.db2.gz GPAUDWUEHIDEMI-RFGFWPKPSA-N 2 2 297.399 -0.267 20 0 CBADLP C[N@@H+]1CCO[C@H](CNC(=O)N[C@@]23CCC[C@H]2C[NH2+]C3)C1 ZINC001553444836 924000539 /nfs/dbraw/zinc/00/05/39/924000539.db2.gz NAXTXCXEBDBNAX-OUCADQQQSA-N 2 2 282.388 -0.242 20 0 CBADLP C[N@H+]1CCO[C@H](CNC(=O)N[C@@]23CCC[C@H]2C[NH2+]C3)C1 ZINC001553444836 924000551 /nfs/dbraw/zinc/00/05/51/924000551.db2.gz NAXTXCXEBDBNAX-OUCADQQQSA-N 2 2 282.388 -0.242 20 0 CBADLP C[C@H](NC(=O)N1C[C@@H]2[C@@H](C[NH3+])[C@@H]2C1)[C@H](C)[NH+]1CCOCC1 ZINC001553443333 924002820 /nfs/dbraw/zinc/00/28/20/924002820.db2.gz HNHDYRFOCIUWKM-HTVCTNPSSA-N 2 2 296.415 -0.058 20 0 CBADLP CC[N@@H+]1CC[C@@H]1C(=O)N1CC[NH+](CCO)C[C@@H]1C ZINC001557001385 924099261 /nfs/dbraw/zinc/09/92/61/924099261.db2.gz XVXTVWRNCCUAOO-NWDGAFQWSA-N 2 2 255.362 -0.394 20 0 CBADLP CC[N@H+]1CC[C@@H]1C(=O)N1CC[NH+](CCO)C[C@@H]1C ZINC001557001385 924099270 /nfs/dbraw/zinc/09/92/70/924099270.db2.gz XVXTVWRNCCUAOO-NWDGAFQWSA-N 2 2 255.362 -0.394 20 0 CBADLP CC[NH+]1CC[C@@H]1C(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC001557001385 924099286 /nfs/dbraw/zinc/09/92/86/924099286.db2.gz XVXTVWRNCCUAOO-NWDGAFQWSA-N 2 2 255.362 -0.394 20 0 CBADLP CC[NH+]1CC[C@@H]1C(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC001557001385 924099297 /nfs/dbraw/zinc/09/92/97/924099297.db2.gz XVXTVWRNCCUAOO-NWDGAFQWSA-N 2 2 255.362 -0.394 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CC([NH2+][C@H]2CCOC2)C1 ZINC001558551351 924184103 /nfs/dbraw/zinc/18/41/03/924184103.db2.gz PCYIJXADSGEFET-VIFPVBQESA-N 2 2 250.302 -0.459 20 0 CBADLP CN(C(=O)C[N@H+](C)C1CC[NH+](CCO)CC1)C1CC1 ZINC000337981882 214342345 /nfs/dbraw/zinc/34/23/45/214342345.db2.gz SYHFYGRNBJFJQR-UHFFFAOYSA-N 2 2 269.389 -0.004 20 0 CBADLP CN(C(=O)C[N@@H+](C)C1CC[NH+](CCO)CC1)C1CC1 ZINC000337981882 214342347 /nfs/dbraw/zinc/34/23/47/214342347.db2.gz SYHFYGRNBJFJQR-UHFFFAOYSA-N 2 2 269.389 -0.004 20 0 CBADLP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CC[NH+](CC)CC1 ZINC000351015560 219075399 /nfs/dbraw/zinc/07/53/99/219075399.db2.gz SNVZRIYQNPWLAL-CYBMUJFWSA-N 2 2 298.431 -0.003 20 0 CBADLP CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)N1CC[NH+](CC)CC1 ZINC000351015561 219075423 /nfs/dbraw/zinc/07/54/23/219075423.db2.gz SNVZRIYQNPWLAL-ZDUSSCGKSA-N 2 2 298.431 -0.003 20 0 CBADLP CNC(=O)C1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000351284026 219089042 /nfs/dbraw/zinc/08/90/42/219089042.db2.gz AQGBNQIFLBSCAF-ZDUSSCGKSA-N 2 2 269.389 -0.101 20 0 CBADLP CNC(=O)C1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000351284026 219089043 /nfs/dbraw/zinc/08/90/43/219089043.db2.gz AQGBNQIFLBSCAF-ZDUSSCGKSA-N 2 2 269.389 -0.101 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000178097946 529781274 /nfs/dbraw/zinc/78/12/74/529781274.db2.gz LZURPPNJPRQEOX-UONOGXRCSA-N 2 2 297.399 -0.502 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000178097946 529781275 /nfs/dbraw/zinc/78/12/75/529781275.db2.gz LZURPPNJPRQEOX-UONOGXRCSA-N 2 2 297.399 -0.502 20 0 CBADLP C[C@H](NC(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1)C(=O)N(C)C ZINC000351500218 219106959 /nfs/dbraw/zinc/10/69/59/219106959.db2.gz WVZZEPVNHNWAFW-YFKTTZPYSA-N 2 2 282.388 -0.752 20 0 CBADLP C[C@H](NC(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1)C(=O)N(C)C ZINC000351500218 219106960 /nfs/dbraw/zinc/10/69/60/219106960.db2.gz WVZZEPVNHNWAFW-YFKTTZPYSA-N 2 2 282.388 -0.752 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351524519 219114294 /nfs/dbraw/zinc/11/42/94/219114294.db2.gz RBIXVBSKVVDXJG-QWRGUYRKSA-N 2 2 279.344 -0.744 20 0 CBADLP C[N@H+](C[C@H](O)CN1CC[NH+](C(C)(C)C(N)=O)CC1)C1CC1 ZINC000351535629 219117054 /nfs/dbraw/zinc/11/70/54/219117054.db2.gz LVOHKMMDXUXOLT-ZDUSSCGKSA-N 2 2 298.431 -0.677 20 0 CBADLP C[N@@H+](C[C@H](O)CN1CC[NH+](C(C)(C)C(N)=O)CC1)C1CC1 ZINC000351535629 219117057 /nfs/dbraw/zinc/11/70/57/219117057.db2.gz LVOHKMMDXUXOLT-ZDUSSCGKSA-N 2 2 298.431 -0.677 20 0 CBADLP CN1CC[C@@H]([NH+]2CCC([N@H+](C)CCCO)CC2)C1=O ZINC000116281368 529893756 /nfs/dbraw/zinc/89/37/56/529893756.db2.gz GNHWIXBZWLYDER-CYBMUJFWSA-N 2 2 269.389 -0.004 20 0 CBADLP CN1CC[C@@H]([NH+]2CCC([N@@H+](C)CCCO)CC2)C1=O ZINC000116281368 529893758 /nfs/dbraw/zinc/89/37/58/529893758.db2.gz GNHWIXBZWLYDER-CYBMUJFWSA-N 2 2 269.389 -0.004 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000174589534 290075806 /nfs/dbraw/zinc/07/58/06/290075806.db2.gz FDVWBTDBZBMANP-GFCCVEGCSA-N 2 2 285.388 -0.456 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000174589534 290075808 /nfs/dbraw/zinc/07/58/08/290075808.db2.gz FDVWBTDBZBMANP-GFCCVEGCSA-N 2 2 285.388 -0.456 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000174589534 290075809 /nfs/dbraw/zinc/07/58/09/290075809.db2.gz FDVWBTDBZBMANP-GFCCVEGCSA-N 2 2 285.388 -0.456 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000174589534 290075812 /nfs/dbraw/zinc/07/58/12/290075812.db2.gz FDVWBTDBZBMANP-GFCCVEGCSA-N 2 2 285.388 -0.456 20 0 CBADLP C[N@@H+](CC(=O)N1CCOCC1)C[C@H]1CCC[NH2+]C1 ZINC000226436131 282346907 /nfs/dbraw/zinc/34/69/07/282346907.db2.gz ZMZGJVLLVDVWKC-LBPRGKRZSA-N 2 2 255.362 -0.223 20 0 CBADLP C[N@H+](CC(=O)N1CCOCC1)C[C@H]1CCC[NH2+]C1 ZINC000226436131 282346909 /nfs/dbraw/zinc/34/69/09/282346909.db2.gz ZMZGJVLLVDVWKC-LBPRGKRZSA-N 2 2 255.362 -0.223 20 0 CBADLP C[C@H]1CN(C(=O)[C@H]2CC[NH2+]C2)C[C@@H]1[NH+]1CCOCC1 ZINC000446370209 290751188 /nfs/dbraw/zinc/75/11/88/290751188.db2.gz KLYGZHBWXUPKCB-AVGNSLFASA-N 2 2 267.373 -0.225 20 0 CBADLP C[C@@H](C[NH+](C)C)NC[C@@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000576459645 335206216 /nfs/dbraw/zinc/20/62/16/335206216.db2.gz IVIIIDUQQHUVCC-REWJHTLYSA-N 2 2 273.421 -0.004 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)NCC[NH+]2CC=CCC2)C1 ZINC000339205478 215012383 /nfs/dbraw/zinc/01/23/83/215012383.db2.gz ROJCVJFXIXFCOQ-LBPRGKRZSA-N 2 2 253.346 -0.305 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)NCC[NH+]2CC=CCC2)C1 ZINC000339205478 215012385 /nfs/dbraw/zinc/01/23/85/215012385.db2.gz ROJCVJFXIXFCOQ-LBPRGKRZSA-N 2 2 253.346 -0.305 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)NCC[N@H+]2CC=CCC2)C1 ZINC000339205478 215012386 /nfs/dbraw/zinc/01/23/86/215012386.db2.gz ROJCVJFXIXFCOQ-LBPRGKRZSA-N 2 2 253.346 -0.305 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)NCC[N@@H+]2CC=CCC2)C1 ZINC000339205478 215012388 /nfs/dbraw/zinc/01/23/88/215012388.db2.gz ROJCVJFXIXFCOQ-LBPRGKRZSA-N 2 2 253.346 -0.305 20 0 CBADLP CC[NH+](CC)CCNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(C)=O ZINC000339227233 215025718 /nfs/dbraw/zinc/02/57/18/215025718.db2.gz BTHWSZOBJOAWQF-ZDUSSCGKSA-N 2 2 295.387 -0.085 20 0 CBADLP CC[NH+](CC)CCNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(C)=O ZINC000339227233 215025719 /nfs/dbraw/zinc/02/57/19/215025719.db2.gz BTHWSZOBJOAWQF-ZDUSSCGKSA-N 2 2 295.387 -0.085 20 0 CBADLP COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351857889 219228277 /nfs/dbraw/zinc/22/82/77/219228277.db2.gz CQTHIDYJZRGPNP-DCAQKATOSA-N 2 2 286.376 -0.484 20 0 CBADLP COC[C@H](C)NC(=O)NC(=O)C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351857889 219228279 /nfs/dbraw/zinc/22/82/79/219228279.db2.gz CQTHIDYJZRGPNP-DCAQKATOSA-N 2 2 286.376 -0.484 20 0 CBADLP CCNC(=O)[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)C(C)C ZINC000339336599 215104020 /nfs/dbraw/zinc/10/40/20/215104020.db2.gz UOSHFTNFZKGWQB-ZDUSSCGKSA-N 2 2 284.404 -0.489 20 0 CBADLP CC(C)[C@@H](C(=O)N1CC[NH+](CCO)CC1)[NH+](C)C ZINC000087083731 179392751 /nfs/dbraw/zinc/39/27/51/179392751.db2.gz KZZWJBRUQYGWDZ-LBPRGKRZSA-N 2 2 257.378 -0.291 20 0 CBADLP CN(CC[NH+](C)C)C(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000339527923 215230239 /nfs/dbraw/zinc/23/02/39/215230239.db2.gz XPXYDTJZEJHTGL-UHFFFAOYSA-N 2 2 281.360 -0.591 20 0 CBADLP CCN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000104945874 186032588 /nfs/dbraw/zinc/03/25/88/186032588.db2.gz BKEUAZQHZVPJAK-UHFFFAOYSA-N 2 2 276.406 -0.884 20 0 CBADLP COCC[NH+]1CCN([C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000091508104 180176372 /nfs/dbraw/zinc/17/63/72/180176372.db2.gz WDMRXMFXFKPNQF-AWEZNQCLSA-N 2 2 271.405 -0.029 20 0 CBADLP CCC[N@H+](C[C@H](O)C[NH+](C)C1CC1)[C@@H]1CC(=O)N(C)C1=O ZINC000352102008 219319893 /nfs/dbraw/zinc/31/98/93/219319893.db2.gz LSHDSWVMVMZRSX-CHWSQXEVSA-N 2 2 297.399 -0.089 20 0 CBADLP CCC[N@@H+](C[C@H](O)C[NH+](C)C1CC1)[C@@H]1CC(=O)N(C)C1=O ZINC000352102008 219319894 /nfs/dbraw/zinc/31/98/94/219319894.db2.gz LSHDSWVMVMZRSX-CHWSQXEVSA-N 2 2 297.399 -0.089 20 0 CBADLP CCC[NH+](C[C@H](O)C[N@H+](C)C1CC1)[C@@H]1CC(=O)N(C)C1=O ZINC000352102008 219319897 /nfs/dbraw/zinc/31/98/97/219319897.db2.gz LSHDSWVMVMZRSX-CHWSQXEVSA-N 2 2 297.399 -0.089 20 0 CBADLP CCC[NH+](C[C@H](O)C[N@@H+](C)C1CC1)[C@@H]1CC(=O)N(C)C1=O ZINC000352102008 219319898 /nfs/dbraw/zinc/31/98/98/219319898.db2.gz LSHDSWVMVMZRSX-CHWSQXEVSA-N 2 2 297.399 -0.089 20 0 CBADLP CC[N@H+](C[C@H](O)C[NH+](C)C1CC1)[C@H]1CCNC1=O ZINC000352103457 219322936 /nfs/dbraw/zinc/32/29/36/219322936.db2.gz OSWRPJAXWOUSPQ-NEPJUHHUSA-N 2 2 255.362 -0.348 20 0 CBADLP CC[N@@H+](C[C@H](O)C[NH+](C)C1CC1)[C@H]1CCNC1=O ZINC000352103457 219322939 /nfs/dbraw/zinc/32/29/39/219322939.db2.gz OSWRPJAXWOUSPQ-NEPJUHHUSA-N 2 2 255.362 -0.348 20 0 CBADLP CC[NH+](C[C@H](O)C[N@H+](C)C1CC1)[C@H]1CCNC1=O ZINC000352103457 219322941 /nfs/dbraw/zinc/32/29/41/219322941.db2.gz OSWRPJAXWOUSPQ-NEPJUHHUSA-N 2 2 255.362 -0.348 20 0 CBADLP CC[NH+](C[C@H](O)C[N@@H+](C)C1CC1)[C@H]1CCNC1=O ZINC000352103457 219322945 /nfs/dbraw/zinc/32/29/45/219322945.db2.gz OSWRPJAXWOUSPQ-NEPJUHHUSA-N 2 2 255.362 -0.348 20 0 CBADLP COCCN1CC[N@H+](CCn2cc[nH+]c2)CC1=O ZINC000091835145 180266777 /nfs/dbraw/zinc/26/67/77/180266777.db2.gz MKZKZBOTNZRJPA-UHFFFAOYSA-N 2 2 252.318 -0.326 20 0 CBADLP COCCN1CC[N@@H+](CCn2cc[nH+]c2)CC1=O ZINC000091835145 180266781 /nfs/dbraw/zinc/26/67/81/180266781.db2.gz MKZKZBOTNZRJPA-UHFFFAOYSA-N 2 2 252.318 -0.326 20 0 CBADLP C[C@H]1C[C@H](C(=O)N2CC[NH+](CCO)CC2)CC[N@@H+]1C ZINC000352153337 219339651 /nfs/dbraw/zinc/33/96/51/219339651.db2.gz GNMWZLKLRJRXNN-QWHCGFSZSA-N 2 2 269.389 -0.147 20 0 CBADLP C[C@H]1C[C@H](C(=O)N2CC[NH+](CCO)CC2)CC[N@H+]1C ZINC000352153337 219339653 /nfs/dbraw/zinc/33/96/53/219339653.db2.gz GNMWZLKLRJRXNN-QWHCGFSZSA-N 2 2 269.389 -0.147 20 0 CBADLP O=C(NCCn1cc[nH+]c1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000339712765 215310961 /nfs/dbraw/zinc/31/09/61/215310961.db2.gz SOLLTNFOXHTLFZ-LLVKDONJSA-N 2 2 291.355 -0.648 20 0 CBADLP O=C(NCCn1cc[nH+]c1)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000339712765 215310964 /nfs/dbraw/zinc/31/09/64/215310964.db2.gz SOLLTNFOXHTLFZ-LLVKDONJSA-N 2 2 291.355 -0.648 20 0 CBADLP CC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000106041567 186099115 /nfs/dbraw/zinc/09/91/15/186099115.db2.gz CDRORJBUDIEHQV-UHFFFAOYSA-N 2 2 296.415 -0.297 20 0 CBADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(CC[NH3+])CC1 ZINC000037039646 351396858 /nfs/dbraw/zinc/39/68/58/351396858.db2.gz FGINNLIBCINILH-GFCCVEGCSA-N 2 2 254.378 -0.426 20 0 CBADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)CC[NH3+])CC1 ZINC000019687997 351350639 /nfs/dbraw/zinc/35/06/39/351350639.db2.gz POCCHWARKFBXRT-UHFFFAOYSA-N 2 2 270.377 -0.652 20 0 CBADLP O=C([C@H]1C[NH2+]CCO1)N1CCN(c2cccc[nH+]2)CC1 ZINC000043707636 351442534 /nfs/dbraw/zinc/44/25/34/351442534.db2.gz MFALCYAUQWXLAI-GFCCVEGCSA-N 2 2 276.340 -0.281 20 0 CBADLP C[NH+]1CCN(CCCNC(=O)[C@H]2CSC[NH2+]2)CC1 ZINC000040808761 351419436 /nfs/dbraw/zinc/41/94/36/351419436.db2.gz KIFPSICPCXBLDF-LLVKDONJSA-N 2 2 272.418 -0.597 20 0 CBADLP CN1CC[NH+](CCCNC(=O)[C@H]2CSC[NH2+]2)CC1 ZINC000040808761 351419439 /nfs/dbraw/zinc/41/94/39/351419439.db2.gz KIFPSICPCXBLDF-LLVKDONJSA-N 2 2 272.418 -0.597 20 0 CBADLP Cn1nccc1C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000041078970 351420436 /nfs/dbraw/zinc/42/04/36/351420436.db2.gz JTSBOGSHUNPZCH-UHFFFAOYSA-N 2 2 251.334 -0.716 20 0 CBADLP Cn1nccc1C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000041078970 351420444 /nfs/dbraw/zinc/42/04/44/351420444.db2.gz JTSBOGSHUNPZCH-UHFFFAOYSA-N 2 2 251.334 -0.716 20 0 CBADLP CCCCNC(=O)NC(=O)C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000050247896 351500814 /nfs/dbraw/zinc/50/08/14/351500814.db2.gz AUELSPOGRNEYSD-SNVBAGLBSA-N 2 2 256.350 -0.107 20 0 CBADLP CCCCNC(=O)NC(=O)C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050247896 351500816 /nfs/dbraw/zinc/50/08/16/351500816.db2.gz AUELSPOGRNEYSD-SNVBAGLBSA-N 2 2 256.350 -0.107 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C[C@@H](O)CN1CCOCC1 ZINC000049235174 351488490 /nfs/dbraw/zinc/48/84/90/351488490.db2.gz UZPICKRURJHBLA-QWHCGFSZSA-N 2 2 268.361 -0.446 20 0 CBADLP C[C@]1(C(=O)N2CC[NH+](CCO)CC2)CCC[NH2+]C1 ZINC000062853666 351577114 /nfs/dbraw/zinc/57/71/14/351577114.db2.gz SWKKZTRAWDJLQD-ZDUSSCGKSA-N 2 2 255.362 -0.487 20 0 CBADLP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2nnnn2C2CC2)C1 ZINC000063180435 351582104 /nfs/dbraw/zinc/58/21/04/351582104.db2.gz ZIZYIOSIFUFVPA-JTQLQIEISA-N 2 2 293.375 -0.705 20 0 CBADLP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2nnnn2C2CC2)C1 ZINC000063180435 351582105 /nfs/dbraw/zinc/58/21/05/351582105.db2.gz ZIZYIOSIFUFVPA-JTQLQIEISA-N 2 2 293.375 -0.705 20 0 CBADLP CN(C)c1[nH+]cc(C[NH2+]CC(=O)NC2CC2)n1C ZINC000070143031 351635502 /nfs/dbraw/zinc/63/55/02/351635502.db2.gz GARARIDUDKWPOG-UHFFFAOYSA-N 2 2 251.334 -0.146 20 0 CBADLP CC[N@H+](CCO)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000072947200 351651241 /nfs/dbraw/zinc/65/12/41/351651241.db2.gz IGTFAZPHFBTAFV-UHFFFAOYSA-N 2 2 287.404 -0.472 20 0 CBADLP CC[N@@H+](CCO)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000072947200 351651244 /nfs/dbraw/zinc/65/12/44/351651244.db2.gz IGTFAZPHFBTAFV-UHFFFAOYSA-N 2 2 287.404 -0.472 20 0 CBADLP CC(C[NH+](C)CC(=O)N(C)C)C[N@H+](C)CC(=O)N(C)C ZINC000074329317 351659835 /nfs/dbraw/zinc/65/98/35/351659835.db2.gz JGFRPIUGHAXTDF-UHFFFAOYSA-N 2 2 286.420 -0.338 20 0 CBADLP CC(C[NH+](C)CC(=O)N(C)C)C[N@@H+](C)CC(=O)N(C)C ZINC000074329317 351659839 /nfs/dbraw/zinc/65/98/39/351659839.db2.gz JGFRPIUGHAXTDF-UHFFFAOYSA-N 2 2 286.420 -0.338 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000081432363 351706496 /nfs/dbraw/zinc/70/64/96/351706496.db2.gz LFNOYIOYPWKHEX-ZIAGYGMSSA-N 2 2 299.415 -0.208 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000081432363 351706497 /nfs/dbraw/zinc/70/64/97/351706497.db2.gz LFNOYIOYPWKHEX-ZIAGYGMSSA-N 2 2 299.415 -0.208 20 0 CBADLP COCCOCC[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000079413513 351691736 /nfs/dbraw/zinc/69/17/36/351691736.db2.gz AIYQQUQVVVHIJP-UHFFFAOYSA-N 2 2 299.415 -0.111 20 0 CBADLP C[NH+]1CCC(CNS(N)(=O)=O)([NH+]2CCCCC2)CC1 ZINC000075503551 351667189 /nfs/dbraw/zinc/66/71/89/351667189.db2.gz MXODGHMWMIDBMY-UHFFFAOYSA-N 2 2 290.433 -0.270 20 0 CBADLP CC(C)[NH+]1CCN(C[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC000075673091 351670303 /nfs/dbraw/zinc/67/03/03/351670303.db2.gz BUSPIPIHAOSMFH-CQSZACIVSA-N 2 2 271.405 -0.295 20 0 CBADLP COC[C@H](O)C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000089926753 351735167 /nfs/dbraw/zinc/73/51/67/351735167.db2.gz FOOMUFIMYPJKHP-LLVKDONJSA-N 2 2 254.334 -0.451 20 0 CBADLP C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCCC[NH2+]2)C1 ZINC000091669050 351745676 /nfs/dbraw/zinc/74/56/76/351745676.db2.gz DRMIVZOUEYEJMG-NEPJUHHUSA-N 2 2 255.362 -0.035 20 0 CBADLP C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCCC[NH2+]2)C1 ZINC000091669050 351745678 /nfs/dbraw/zinc/74/56/78/351745678.db2.gz DRMIVZOUEYEJMG-NEPJUHHUSA-N 2 2 255.362 -0.035 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)NCCNc2cccc[nH+]2)C1 ZINC000081936158 351710925 /nfs/dbraw/zinc/71/09/25/351710925.db2.gz QSMNQBFFIJSMEO-LLVKDONJSA-N 2 2 264.329 -0.060 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)NCCNc2cccc[nH+]2)C1 ZINC000081936158 351710928 /nfs/dbraw/zinc/71/09/28/351710928.db2.gz QSMNQBFFIJSMEO-LLVKDONJSA-N 2 2 264.329 -0.060 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)NCCNc2cccc[nH+]2)C1 ZINC000081936155 351711008 /nfs/dbraw/zinc/71/10/08/351711008.db2.gz QSMNQBFFIJSMEO-NSHDSACASA-N 2 2 264.329 -0.060 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)NCCNc2cccc[nH+]2)C1 ZINC000081936155 351711013 /nfs/dbraw/zinc/71/10/13/351711013.db2.gz QSMNQBFFIJSMEO-NSHDSACASA-N 2 2 264.329 -0.060 20 0 CBADLP C[C@H](CS(C)(=O)=O)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000081907748 351711572 /nfs/dbraw/zinc/71/15/72/351711572.db2.gz JREBDXGKCIPQQZ-GHMZBOCLSA-N 2 2 264.391 -0.534 20 0 CBADLP CSCC[C@@H]([NH3+])C(=O)NCC[NH+]1CCOCC1 ZINC000083449573 351714995 /nfs/dbraw/zinc/71/49/95/351714995.db2.gz NGXLKZITVLFQRJ-SNVBAGLBSA-N 2 2 261.391 -0.485 20 0 CBADLP CCCNC(=O)NC(=O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000107575297 351795254 /nfs/dbraw/zinc/79/52/54/351795254.db2.gz KANAALIECDICTC-UWVGGRQHSA-N 2 2 254.334 -0.627 20 0 CBADLP CC1(C)NC(=O)N(CC[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)C1=O ZINC000107580248 351795854 /nfs/dbraw/zinc/79/58/54/351795854.db2.gz ZFIRFUIWXQDTMC-UWVGGRQHSA-N 2 2 266.345 -0.532 20 0 CBADLP O=C(C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)NC(=O)NC1CCCC1 ZINC000107855317 351795929 /nfs/dbraw/zinc/79/59/29/351795929.db2.gz KNHUFLIEFWVIGG-GHMZBOCLSA-N 2 2 280.372 -0.094 20 0 CBADLP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107855378 351796155 /nfs/dbraw/zinc/79/61/55/351796155.db2.gz NMWKCUYYOXDVJA-BBBLOLIVSA-N 2 2 254.334 -0.628 20 0 CBADLP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107855378 351796156 /nfs/dbraw/zinc/79/61/56/351796156.db2.gz NMWKCUYYOXDVJA-BBBLOLIVSA-N 2 2 254.334 -0.628 20 0 CBADLP C[N@H+](CCN1CCCC1=O)CC(=O)N1CC[NH+](C)CC1 ZINC000093173814 351757487 /nfs/dbraw/zinc/75/74/87/351757487.db2.gz PCLVEXFBDFFPDR-UHFFFAOYSA-N 2 2 282.388 -0.685 20 0 CBADLP C[N@@H+](CCN1CCCC1=O)CC(=O)N1CC[NH+](C)CC1 ZINC000093173814 351757488 /nfs/dbraw/zinc/75/74/88/351757488.db2.gz PCLVEXFBDFFPDR-UHFFFAOYSA-N 2 2 282.388 -0.685 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCOCC2(C)C)CC1 ZINC000093168439 351758135 /nfs/dbraw/zinc/75/81/35/351758135.db2.gz PVGVZYXORFXJQH-UHFFFAOYSA-N 2 2 255.362 -0.129 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CCOCC2(C)C)CC1 ZINC000093168439 351758139 /nfs/dbraw/zinc/75/81/39/351758139.db2.gz PVGVZYXORFXJQH-UHFFFAOYSA-N 2 2 255.362 -0.129 20 0 CBADLP C[C@H](O)[C@H]1CCC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000093204026 351758221 /nfs/dbraw/zinc/75/82/21/351758221.db2.gz RNIAZBWQKQJACR-STQMWFEESA-N 2 2 269.389 -0.147 20 0 CBADLP C[C@H](O)[C@H]1CCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000093204026 351758224 /nfs/dbraw/zinc/75/82/24/351758224.db2.gz RNIAZBWQKQJACR-STQMWFEESA-N 2 2 269.389 -0.147 20 0 CBADLP C[C@H](O)[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000093204024 351758341 /nfs/dbraw/zinc/75/83/41/351758341.db2.gz RNIAZBWQKQJACR-QWHCGFSZSA-N 2 2 269.389 -0.147 20 0 CBADLP C[C@H](O)[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000093204024 351758343 /nfs/dbraw/zinc/75/83/43/351758343.db2.gz RNIAZBWQKQJACR-QWHCGFSZSA-N 2 2 269.389 -0.147 20 0 CBADLP CC[NH+]1CCN(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000119134052 351830695 /nfs/dbraw/zinc/83/06/95/351830695.db2.gz XGYHVIAJBNPCJK-UHFFFAOYSA-N 2 2 254.378 -0.602 20 0 CBADLP CCNC(=O)NC(=O)C[N@@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000122790874 351852705 /nfs/dbraw/zinc/85/27/05/351852705.db2.gz HIPXUSSMZIYTQE-ZJUUUORDSA-N 2 2 256.350 -0.109 20 0 CBADLP CCNC(=O)NC(=O)C[N@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000122790874 351852709 /nfs/dbraw/zinc/85/27/09/351852709.db2.gz HIPXUSSMZIYTQE-ZJUUUORDSA-N 2 2 256.350 -0.109 20 0 CBADLP Cc1cc(C)n(CC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])n1 ZINC000120761009 351843395 /nfs/dbraw/zinc/84/33/95/351843395.db2.gz NBVORAULXPWZSQ-LBPRGKRZSA-N 2 2 265.361 -0.399 20 0 CBADLP Cc1cc(C)n(CC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])n1 ZINC000120761009 351843399 /nfs/dbraw/zinc/84/33/99/351843399.db2.gz NBVORAULXPWZSQ-LBPRGKRZSA-N 2 2 265.361 -0.399 20 0 CBADLP CC[C@H](C(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1)[NH+](C)C ZINC000130123270 351876779 /nfs/dbraw/zinc/87/67/79/351876779.db2.gz SSGFRYRIODXMDF-CYBMUJFWSA-N 2 2 298.431 -0.051 20 0 CBADLP CC[C@H](C(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1)[NH+](C)C ZINC000130123270 351876783 /nfs/dbraw/zinc/87/67/83/351876783.db2.gz SSGFRYRIODXMDF-CYBMUJFWSA-N 2 2 298.431 -0.051 20 0 CBADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150766465 351931438 /nfs/dbraw/zinc/93/14/38/351931438.db2.gz RJLJBTXITXWSMS-WDEREUQCSA-N 2 2 268.361 -0.013 20 0 CBADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150766465 351931440 /nfs/dbraw/zinc/93/14/40/351931440.db2.gz RJLJBTXITXWSMS-WDEREUQCSA-N 2 2 268.361 -0.013 20 0 CBADLP CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150795197 351932395 /nfs/dbraw/zinc/93/23/95/351932395.db2.gz QYMQBPHFIKQMOL-NSHDSACASA-N 2 2 268.361 -0.140 20 0 CBADLP CNC(=O)NC(=O)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150795197 351932399 /nfs/dbraw/zinc/93/23/99/351932399.db2.gz QYMQBPHFIKQMOL-NSHDSACASA-N 2 2 268.361 -0.140 20 0 CBADLP C[C@H](NC(=O)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1)C(=O)N(C)C ZINC000152472559 351938801 /nfs/dbraw/zinc/93/88/01/351938801.db2.gz DTUPINPRIIMSDN-QWHCGFSZSA-N 2 2 298.431 -0.147 20 0 CBADLP C[C@H](NC(=O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1)C(=O)N(C)C ZINC000152472559 351938804 /nfs/dbraw/zinc/93/88/04/351938804.db2.gz DTUPINPRIIMSDN-QWHCGFSZSA-N 2 2 298.431 -0.147 20 0 CBADLP C[C@H](NC(=O)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1)C(=O)N(C)C ZINC000152472559 351938806 /nfs/dbraw/zinc/93/88/06/351938806.db2.gz DTUPINPRIIMSDN-QWHCGFSZSA-N 2 2 298.431 -0.147 20 0 CBADLP C[C@H](NC(=O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1)C(=O)N(C)C ZINC000152472559 351938809 /nfs/dbraw/zinc/93/88/09/351938809.db2.gz DTUPINPRIIMSDN-QWHCGFSZSA-N 2 2 298.431 -0.147 20 0 CBADLP CC[C@@H]([NH3+])C(=O)N1CC[NH+]([C@H](C)CC(=O)OC)CC1 ZINC000152879354 351941974 /nfs/dbraw/zinc/94/19/74/351941974.db2.gz HWAAUBLLKBZYTM-GHMZBOCLSA-N 2 2 271.361 -0.181 20 0 CBADLP CC[NH+](CC)CC(=O)N1CC[NH+](CCOCCO)CC1 ZINC000132927472 351896622 /nfs/dbraw/zinc/89/66/22/351896622.db2.gz LKWSIGJIVGADCQ-UHFFFAOYSA-N 2 2 287.404 -0.519 20 0 CBADLP CC[C@H](C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)[NH+](C)C ZINC000133484769 351899786 /nfs/dbraw/zinc/89/97/86/351899786.db2.gz UUTUIZQJPNTNDC-QWHCGFSZSA-N 2 2 287.404 -0.522 20 0 CBADLP CC[C@]1(C(=O)NCC[NH+]2CCN(C(C)=O)CC2)CCC[NH2+]1 ZINC000134569794 351907732 /nfs/dbraw/zinc/90/77/32/351907732.db2.gz UQYNYRWUDPXFDM-OAHLLOKOSA-N 2 2 296.415 -0.201 20 0 CBADLP C[N@@H+]1CCO[C@H]2CN(C(=O)NCCn3cc[nH+]c3)C[C@@H]21 ZINC000156712722 351953957 /nfs/dbraw/zinc/95/39/57/351953957.db2.gz SVFJXGVHBSGXEU-RYUDHWBXSA-N 2 2 279.344 -0.393 20 0 CBADLP C[N@H+]1CCO[C@H]2CN(C(=O)NCCn3cc[nH+]c3)C[C@@H]21 ZINC000156712722 351953960 /nfs/dbraw/zinc/95/39/60/351953960.db2.gz SVFJXGVHBSGXEU-RYUDHWBXSA-N 2 2 279.344 -0.393 20 0 CBADLP CN1CCO[C@@H]2CN(C(=O)NC[C@@H]3C[N@@H+](C)CCO3)C[C@H]21 ZINC000158974042 351960088 /nfs/dbraw/zinc/96/00/88/351960088.db2.gz BIJAYGSMGJUPLT-JHJVBQTASA-N 2 2 298.387 -0.959 20 0 CBADLP C[NH+]1CCO[C@@H]2CN(C(=O)NC[C@@H]3C[N@H+](C)CCO3)C[C@H]21 ZINC000158974042 351960094 /nfs/dbraw/zinc/96/00/94/351960094.db2.gz BIJAYGSMGJUPLT-JHJVBQTASA-N 2 2 298.387 -0.959 20 0 CBADLP C[NH+]1CCO[C@@H]2CN(C(=O)NC[C@@H]3C[N@@H+](C)CCO3)C[C@H]21 ZINC000158974042 351960097 /nfs/dbraw/zinc/96/00/97/351960097.db2.gz BIJAYGSMGJUPLT-JHJVBQTASA-N 2 2 298.387 -0.959 20 0 CBADLP C[NH+]1CCO[C@H](CNC(=O)N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)C1 ZINC000158974042 351960102 /nfs/dbraw/zinc/96/01/02/351960102.db2.gz BIJAYGSMGJUPLT-JHJVBQTASA-N 2 2 298.387 -0.959 20 0 CBADLP C[NH+]1CCO[C@H](CNC(=O)N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)C1 ZINC000158974042 351960106 /nfs/dbraw/zinc/96/01/06/351960106.db2.gz BIJAYGSMGJUPLT-JHJVBQTASA-N 2 2 298.387 -0.959 20 0 CBADLP C[N@@H+]1CCN(C(=O)CCNC(=O)C(C)(C)C)[C@@H](C[NH3+])C1 ZINC000162296165 351977442 /nfs/dbraw/zinc/97/74/42/351977442.db2.gz FIPKTFDARRPTFP-NSHDSACASA-N 2 2 284.404 -0.360 20 0 CBADLP C[N@H+]1CCN(C(=O)CCNC(=O)C(C)(C)C)[C@@H](C[NH3+])C1 ZINC000162296165 351977445 /nfs/dbraw/zinc/97/74/45/351977445.db2.gz FIPKTFDARRPTFP-NSHDSACASA-N 2 2 284.404 -0.360 20 0 CBADLP CCOCC[NH+]1CCN(C(=O)[C@@H]2CSC[NH2+]2)CC1 ZINC000164475103 351984992 /nfs/dbraw/zinc/98/49/92/351984992.db2.gz XSRBCKKKNJVECN-NSHDSACASA-N 2 2 273.402 -0.170 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000165046460 351985837 /nfs/dbraw/zinc/98/58/37/351985837.db2.gz BZENVMXHGLHJBZ-ZYHUDNBSSA-N 2 2 259.325 -0.475 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1CSC[NH2+]1)C[NH+]1CCOCC1 ZINC000166594460 351987944 /nfs/dbraw/zinc/98/79/44/351987944.db2.gz BOVBYEFNIHBRDD-WDEREUQCSA-N 2 2 273.402 -0.267 20 0 CBADLP C[C@H](CNC(=O)[C@H]1COCC[NH2+]1)C[NH+]1CCOCC1 ZINC000166592898 351987955 /nfs/dbraw/zinc/98/79/55/351987955.db2.gz YTSFZFBGWLLPCK-VXGBXAGGSA-N 2 2 271.361 -0.941 20 0 CBADLP CCOCC[N@@H+]1CCN(C(=O)[C@@H]2C[NH2+]CCO2)C[C@@H]1C ZINC000168049943 351992226 /nfs/dbraw/zinc/99/22/26/351992226.db2.gz GRUHLWZDTAGZDO-STQMWFEESA-N 2 2 285.388 -0.456 20 0 CBADLP CCOCC[N@H+]1CCN(C(=O)[C@@H]2C[NH2+]CCO2)C[C@@H]1C ZINC000168049943 351992228 /nfs/dbraw/zinc/99/22/28/351992228.db2.gz GRUHLWZDTAGZDO-STQMWFEESA-N 2 2 285.388 -0.456 20 0 CBADLP CC[NH+](CC)CCNC(=O)C(=O)N1CC[NH+](CC)CC1 ZINC000170379720 351997596 /nfs/dbraw/zinc/99/75/96/351997596.db2.gz AZXCNGLQCYEMLJ-UHFFFAOYSA-N 2 2 284.404 -0.392 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)CCC(=O)NC)CC1 ZINC000170783992 352002119 /nfs/dbraw/zinc/00/21/19/352002119.db2.gz SHXFOLNAJSIDER-LBPRGKRZSA-N 2 2 284.404 -0.393 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)CCC(=O)NC)CC1 ZINC000170783992 352002122 /nfs/dbraw/zinc/00/21/22/352002122.db2.gz SHXFOLNAJSIDER-LBPRGKRZSA-N 2 2 284.404 -0.393 20 0 CBADLP CN(CC[NH+](C)C)C(=O)NCC[NH+]1CCOCC1 ZINC000176364871 352064649 /nfs/dbraw/zinc/06/46/49/352064649.db2.gz GOHVKLVYPPHDKX-UHFFFAOYSA-N 2 2 258.366 -0.478 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+]C(C)(C)CC(N)=O)CC1 ZINC000186209375 352125715 /nfs/dbraw/zinc/12/57/15/352125715.db2.gz PPXYKWCRSWKJJD-UHFFFAOYSA-N 2 2 256.350 -0.996 20 0 CBADLP COCC[NH2+]CC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000178744993 352082717 /nfs/dbraw/zinc/08/27/17/352082717.db2.gz WNDSQRLBAKDNJA-UHFFFAOYSA-N 2 2 273.377 -0.551 20 0 CBADLP COCC[NH2+]CC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000178744993 352082721 /nfs/dbraw/zinc/08/27/21/352082721.db2.gz WNDSQRLBAKDNJA-UHFFFAOYSA-N 2 2 273.377 -0.551 20 0 CBADLP O=C([C@H]1COCC[NH2+]1)N1CCC[N@@H+](C2CC2)CC1 ZINC000178747027 352082828 /nfs/dbraw/zinc/08/28/28/352082828.db2.gz VWOUVUFYOCGILD-GFCCVEGCSA-N 2 2 253.346 -0.329 20 0 CBADLP O=C([C@H]1COCC[NH2+]1)N1CCC[N@H+](C2CC2)CC1 ZINC000178747027 352082832 /nfs/dbraw/zinc/08/28/32/352082832.db2.gz VWOUVUFYOCGILD-GFCCVEGCSA-N 2 2 253.346 -0.329 20 0 CBADLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@H]1CC[NH2+]C1 ZINC000178764022 352083509 /nfs/dbraw/zinc/08/35/09/352083509.db2.gz ZNCASXDWRFCWDC-NSHDSACASA-N 2 2 255.362 -0.177 20 0 CBADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@H]1CC[NH2+]C1 ZINC000178764022 352083511 /nfs/dbraw/zinc/08/35/11/352083511.db2.gz ZNCASXDWRFCWDC-NSHDSACASA-N 2 2 255.362 -0.177 20 0 CBADLP O=C([C@@H]1CSC[NH2+]1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178844976 352084383 /nfs/dbraw/zinc/08/43/83/352084383.db2.gz ZGZZTLUXVQSFTP-NEPJUHHUSA-N 2 2 285.413 -0.170 20 0 CBADLP C[C@H]1CN(C(=O)[C@@H]2C[NH2+]CCO2)C[C@@H]1[NH+]1CCOCC1 ZINC000178861886 352084521 /nfs/dbraw/zinc/08/45/21/352084521.db2.gz CCUBOSBKJIFLRB-AVGNSLFASA-N 2 2 283.372 -0.846 20 0 CBADLP CC[C@H](CO)[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000179412747 352090430 /nfs/dbraw/zinc/09/04/30/352090430.db2.gz MZNRWAZBBIGMLK-OLZOCXBDSA-N 2 2 285.388 -0.768 20 0 CBADLP CC[C@H](CO)[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000179412747 352090431 /nfs/dbraw/zinc/09/04/31/352090431.db2.gz MZNRWAZBBIGMLK-OLZOCXBDSA-N 2 2 285.388 -0.768 20 0 CBADLP COCCO[C@H]1CCC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000180787310 352096509 /nfs/dbraw/zinc/09/65/09/352096509.db2.gz FQEWAIHOMHENQN-AWEZNQCLSA-N 2 2 299.415 -0.112 20 0 CBADLP COCCO[C@H]1CCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000180787310 352096511 /nfs/dbraw/zinc/09/65/11/352096511.db2.gz FQEWAIHOMHENQN-AWEZNQCLSA-N 2 2 299.415 -0.112 20 0 CBADLP CCOC[C@@H](C)[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181046029 352097323 /nfs/dbraw/zinc/09/73/23/352097323.db2.gz YIRWLPYFSDFRDQ-ZIAGYGMSSA-N 2 2 299.415 -0.066 20 0 CBADLP CC[C@H](COC)[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181036385 352097606 /nfs/dbraw/zinc/09/76/06/352097606.db2.gz GWYMLWGICHCSRE-ZIAGYGMSSA-N 2 2 299.415 -0.066 20 0 CBADLP OC[C@@H]1CCC[NH+](CC(O)C[N@H+]2CCC[C@H](CO)C2)C1 ZINC000181774562 352101088 /nfs/dbraw/zinc/10/10/88/352101088.db2.gz CUORCZQUUMYSNR-YIONKMFJSA-N 2 2 286.416 -0.244 20 0 CBADLP OC[C@@H]1CCC[NH+](CC(O)C[N@@H+]2CCC[C@H](CO)C2)C1 ZINC000181774562 352101089 /nfs/dbraw/zinc/10/10/89/352101089.db2.gz CUORCZQUUMYSNR-YIONKMFJSA-N 2 2 286.416 -0.244 20 0 CBADLP OC[C@@H]1CCC[N@@H+](CC(O)C[NH+]2CCC[C@H](CO)C2)C1 ZINC000181774562 352101092 /nfs/dbraw/zinc/10/10/92/352101092.db2.gz CUORCZQUUMYSNR-YIONKMFJSA-N 2 2 286.416 -0.244 20 0 CBADLP OC[C@@H]1CCC[N@H+](CC(O)C[NH+]2CCC[C@H](CO)C2)C1 ZINC000181774562 352101094 /nfs/dbraw/zinc/10/10/94/352101094.db2.gz CUORCZQUUMYSNR-YIONKMFJSA-N 2 2 286.416 -0.244 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188722780 352157455 /nfs/dbraw/zinc/15/74/55/352157455.db2.gz PGVFRCFTFGGWGD-OUAUKWLOSA-N 2 2 259.325 -0.477 20 0 CBADLP C[C@H](CNC(=O)[C@H]1C[C@H](F)C[NH2+]1)[NH+]1CCOCC1 ZINC000188720492 352157574 /nfs/dbraw/zinc/15/75/74/352157574.db2.gz WRHPNTYDBOENBW-OUAUKWLOSA-N 2 2 259.325 -0.477 20 0 CBADLP C[C@@H]1CN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)C[C@@H]1[NH+]1CCOCC1 ZINC000188791809 352159323 /nfs/dbraw/zinc/15/93/23/352159323.db2.gz JSLFQYQRHCEGBY-XQHKEYJVSA-N 2 2 285.363 -0.135 20 0 CBADLP C[C@H]1CN(c2cc[nH+]cc2C(N)=O)CC[N@@H+]1CCO ZINC000189401344 352169542 /nfs/dbraw/zinc/16/95/42/352169542.db2.gz VVEDJAXTOPXWJP-JTQLQIEISA-N 2 2 264.329 -0.317 20 0 CBADLP C[C@H]1CN(c2cc[nH+]cc2C(N)=O)CC[N@H+]1CCO ZINC000189401344 352169545 /nfs/dbraw/zinc/16/95/45/352169545.db2.gz VVEDJAXTOPXWJP-JTQLQIEISA-N 2 2 264.329 -0.317 20 0 CBADLP COC(=O)[C@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)C[C@@H]1C ZINC000191831537 352192998 /nfs/dbraw/zinc/19/29/98/352192998.db2.gz VUBGVXHBZXLNMJ-STQMWFEESA-N 2 2 297.399 -0.109 20 0 CBADLP COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C[C@@H]1C ZINC000191831537 352193003 /nfs/dbraw/zinc/19/30/03/352193003.db2.gz VUBGVXHBZXLNMJ-STQMWFEESA-N 2 2 297.399 -0.109 20 0 CBADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)[C@@H](C)[C@@H](C)[NH3+])CC1 ZINC000192090461 352195444 /nfs/dbraw/zinc/19/54/44/352195444.db2.gz DQICVWSZZDVZFQ-QWHCGFSZSA-N 2 2 298.431 -0.018 20 0 CBADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)[C@@H](C)[C@H](C)[NH3+])CC1 ZINC000192090472 352195849 /nfs/dbraw/zinc/19/58/49/352195849.db2.gz DQICVWSZZDVZFQ-STQMWFEESA-N 2 2 298.431 -0.018 20 0 CBADLP C[C@@H]1CN(CCC[NH+]2CCOCC2)CC[N@@H+]1CCO ZINC000187652569 352140808 /nfs/dbraw/zinc/14/08/08/352140808.db2.gz MQLYNFAOFSQAGF-CQSZACIVSA-N 2 2 271.405 -0.293 20 0 CBADLP C[C@@H]1CN(CCC[NH+]2CCOCC2)CC[N@H+]1CCO ZINC000187652569 352140810 /nfs/dbraw/zinc/14/08/10/352140810.db2.gz MQLYNFAOFSQAGF-CQSZACIVSA-N 2 2 271.405 -0.293 20 0 CBADLP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000187948651 352144150 /nfs/dbraw/zinc/14/41/50/352144150.db2.gz STKMIHCYTVUZQQ-FVCCEPFGSA-N 2 2 285.388 -0.411 20 0 CBADLP C[C@@H](NC(=O)[C@H]1C[NH2+]CCO1)[C@H](C)[NH+]1CCOCC1 ZINC000188181463 352148887 /nfs/dbraw/zinc/14/88/87/352148887.db2.gz VPBXLDHBHRSOKQ-GRYCIOLGSA-N 2 2 271.361 -0.800 20 0 CBADLP O=C(NCCn1cc[nH+]c1)NCC[NH+]1CCOCC1 ZINC000193006385 352202527 /nfs/dbraw/zinc/20/25/27/352202527.db2.gz HFCLRUSZZPQCDM-UHFFFAOYSA-N 2 2 267.333 -0.486 20 0 CBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C[NH+](C)C)CC1 ZINC000193557220 352206009 /nfs/dbraw/zinc/20/60/09/352206009.db2.gz PEEUEAVLZCBDHR-UHFFFAOYSA-N 2 2 298.431 -0.049 20 0 CBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C[NH+](C)C)CC1 ZINC000193557220 352206014 /nfs/dbraw/zinc/20/60/14/352206014.db2.gz PEEUEAVLZCBDHR-UHFFFAOYSA-N 2 2 298.431 -0.049 20 0 CBADLP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193620924 352207181 /nfs/dbraw/zinc/20/71/81/352207181.db2.gz SMTIQUUTOCAKLM-MXWKQRLJSA-N 2 2 268.361 -0.286 20 0 CBADLP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193620924 352207184 /nfs/dbraw/zinc/20/71/84/352207184.db2.gz SMTIQUUTOCAKLM-MXWKQRLJSA-N 2 2 268.361 -0.286 20 0 CBADLP CCNC(=O)NC(=O)[C@@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193620924 352207186 /nfs/dbraw/zinc/20/71/86/352207186.db2.gz SMTIQUUTOCAKLM-MXWKQRLJSA-N 2 2 268.361 -0.286 20 0 CBADLP CCNC(=O)NC(=O)[C@@H](C)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193620924 352207189 /nfs/dbraw/zinc/20/71/89/352207189.db2.gz SMTIQUUTOCAKLM-MXWKQRLJSA-N 2 2 268.361 -0.286 20 0 CBADLP Cn1c(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc(=O)n(C)c1=O ZINC000193602674 352207695 /nfs/dbraw/zinc/20/76/95/352207695.db2.gz SRDCYKUNCQDCMD-PHIMTYICSA-N 2 2 278.356 -0.923 20 0 CBADLP Cn1c(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc(=O)n(C)c1=O ZINC000193602674 352207696 /nfs/dbraw/zinc/20/76/96/352207696.db2.gz SRDCYKUNCQDCMD-PHIMTYICSA-N 2 2 278.356 -0.923 20 0 CBADLP Cn1c(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc(=O)n(C)c1=O ZINC000193602674 352207697 /nfs/dbraw/zinc/20/76/97/352207697.db2.gz SRDCYKUNCQDCMD-PHIMTYICSA-N 2 2 278.356 -0.923 20 0 CBADLP Cn1c(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cc(=O)n(C)c1=O ZINC000193602674 352207699 /nfs/dbraw/zinc/20/76/99/352207699.db2.gz SRDCYKUNCQDCMD-PHIMTYICSA-N 2 2 278.356 -0.923 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000195156236 352222533 /nfs/dbraw/zinc/22/25/33/352222533.db2.gz GSOIZCUXRNFQCH-RYUDHWBXSA-N 2 2 255.362 -0.177 20 0 CBADLP C[NH+](C)C[C@](C)(O)CNC(=O)CCn1cc[nH+]c1 ZINC000228748805 352265299 /nfs/dbraw/zinc/26/52/99/352265299.db2.gz YVWMNDBXFJNFLQ-GFCCVEGCSA-N 2 2 254.334 -0.298 20 0 CBADLP Cn1ccc(C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1=O ZINC000225350689 352247134 /nfs/dbraw/zinc/24/71/34/352247134.db2.gz SRJMXBGQNNTGCV-LLVKDONJSA-N 2 2 264.329 -0.900 20 0 CBADLP Cn1ccc(C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1=O ZINC000225350689 352247136 /nfs/dbraw/zinc/24/71/36/352247136.db2.gz SRJMXBGQNNTGCV-LLVKDONJSA-N 2 2 264.329 -0.900 20 0 CBADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]C[C@@H](O)C(F)(F)F ZINC000225441224 352248184 /nfs/dbraw/zinc/24/81/84/352248184.db2.gz YRWAQQUPLWAHHO-DTWKUNHWSA-N 2 2 255.284 -0.255 20 0 CBADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]C[C@@H](O)C(F)(F)F ZINC000225441224 352248185 /nfs/dbraw/zinc/24/81/85/352248185.db2.gz YRWAQQUPLWAHHO-DTWKUNHWSA-N 2 2 255.284 -0.255 20 0 CBADLP C[N@@H+]1CCN(C(=O)COCC(F)(F)F)[C@@H](C[NH3+])C1 ZINC000226292985 352251456 /nfs/dbraw/zinc/25/14/56/352251456.db2.gz AYZXUESMMLBZFW-QMMMGPOBSA-N 2 2 269.267 -0.333 20 0 CBADLP C[N@H+]1CCN(C(=O)COCC(F)(F)F)[C@@H](C[NH3+])C1 ZINC000226292985 352251457 /nfs/dbraw/zinc/25/14/57/352251457.db2.gz AYZXUESMMLBZFW-QMMMGPOBSA-N 2 2 269.267 -0.333 20 0 CBADLP CO[C@H](C[NH3+])CC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000232113019 352278810 /nfs/dbraw/zinc/27/88/10/352278810.db2.gz CWQGMKZLHSJWBD-QWRGUYRKSA-N 2 2 259.350 -0.813 20 0 CBADLP CO[C@@H](C[NH3+])CC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000232113021 352278988 /nfs/dbraw/zinc/27/89/88/352278988.db2.gz CWQGMKZLHSJWBD-GHMZBOCLSA-N 2 2 259.350 -0.813 20 0 CBADLP C[C@H]1C[C@@H](C(=O)N2CC[NH+](CCO)CC2)CC[NH2+]1 ZINC000235684187 352287704 /nfs/dbraw/zinc/28/77/04/352287704.db2.gz PJJYGBVRXMYPPR-RYUDHWBXSA-N 2 2 255.362 -0.489 20 0 CBADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CSC[NH2+]1 ZINC000237092609 352298652 /nfs/dbraw/zinc/29/86/52/352298652.db2.gz RLTQJUSEWCUPMG-WDEREUQCSA-N 2 2 273.402 -0.124 20 0 CBADLP COCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CSC[NH2+]1 ZINC000237092609 352298654 /nfs/dbraw/zinc/29/86/54/352298654.db2.gz RLTQJUSEWCUPMG-WDEREUQCSA-N 2 2 273.402 -0.124 20 0 CBADLP C[NH2+]CC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000237204178 352301627 /nfs/dbraw/zinc/30/16/27/352301627.db2.gz AHLYXWOWQQXSKM-JTQLQIEISA-N 2 2 268.361 -0.983 20 0 CBADLP COCC[NH2+]CC(=O)N[C@H]1CCc2[nH+]c(C)cn2C1 ZINC000237232680 352302055 /nfs/dbraw/zinc/30/20/55/352302055.db2.gz FDXMJUUXVBCJPJ-NSHDSACASA-N 2 2 266.345 -0.141 20 0 CBADLP C[NH2+]CC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000237238993 352302139 /nfs/dbraw/zinc/30/21/39/352302139.db2.gz PZXPZFHMHNELJV-GFCCVEGCSA-N 2 2 273.402 -0.470 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@](C)(O)C2)CC1 ZINC000248372329 352351333 /nfs/dbraw/zinc/35/13/33/352351333.db2.gz ZUMCEAPEEHHLRS-OCCSQVGLSA-N 2 2 269.389 -0.004 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@](C)(O)C2)CC1 ZINC000248372329 352351337 /nfs/dbraw/zinc/35/13/37/352351337.db2.gz ZUMCEAPEEHHLRS-OCCSQVGLSA-N 2 2 269.389 -0.004 20 0 CBADLP C[C@H](O)C[N@@H+]1CCN(CC(=O)N2CC[NH+](C)CC2)C[C@H]1C ZINC000245693691 352324352 /nfs/dbraw/zinc/32/43/52/352324352.db2.gz WOQZUIUASVIIPT-KGLIPLIRSA-N 2 2 298.431 -0.853 20 0 CBADLP C[C@H](O)C[N@H+]1CCN(CC(=O)N2CC[NH+](C)CC2)C[C@H]1C ZINC000245693691 352324359 /nfs/dbraw/zinc/32/43/59/352324359.db2.gz WOQZUIUASVIIPT-KGLIPLIRSA-N 2 2 298.431 -0.853 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)C[C@H](C)O)CC1 ZINC000245734147 352324476 /nfs/dbraw/zinc/32/44/76/352324476.db2.gz CTHVUPYFIHEHFM-NWDGAFQWSA-N 2 2 257.378 -0.148 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)C[C@H](C)O)CC1 ZINC000245734147 352324479 /nfs/dbraw/zinc/32/44/79/352324479.db2.gz CTHVUPYFIHEHFM-NWDGAFQWSA-N 2 2 257.378 -0.148 20 0 CBADLP C[C@H](NC(=O)C[N@H+](C)C[C@H]1CCC[NH+](C)C1)C(=O)N(C)C ZINC000246731655 352337149 /nfs/dbraw/zinc/33/71/49/352337149.db2.gz DTUPINPRIIMSDN-STQMWFEESA-N 2 2 298.431 -0.147 20 0 CBADLP C[C@H](NC(=O)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1)C(=O)N(C)C ZINC000246731655 352337152 /nfs/dbraw/zinc/33/71/52/352337152.db2.gz DTUPINPRIIMSDN-STQMWFEESA-N 2 2 298.431 -0.147 20 0 CBADLP C[C@H](NC(=O)C[NH+](C)C[C@H]1CCC[N@H+](C)C1)C(=O)N(C)C ZINC000246731655 352337154 /nfs/dbraw/zinc/33/71/54/352337154.db2.gz DTUPINPRIIMSDN-STQMWFEESA-N 2 2 298.431 -0.147 20 0 CBADLP C[C@H](NC(=O)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1)C(=O)N(C)C ZINC000246731655 352337156 /nfs/dbraw/zinc/33/71/56/352337156.db2.gz DTUPINPRIIMSDN-STQMWFEESA-N 2 2 298.431 -0.147 20 0 CBADLP C[C@H]1CC[N@H+](CC(=O)NC(N)=O)C[C@H]1n1cc[nH+]c1 ZINC000246809304 352338109 /nfs/dbraw/zinc/33/81/09/352338109.db2.gz AAEXLIZWSTUHPR-VHSXEESVSA-N 2 2 265.317 -0.039 20 0 CBADLP C[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C[C@H]1n1cc[nH+]c1 ZINC000246809304 352338112 /nfs/dbraw/zinc/33/81/12/352338112.db2.gz AAEXLIZWSTUHPR-VHSXEESVSA-N 2 2 265.317 -0.039 20 0 CBADLP COC(=O)[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)C[C@@H]1C ZINC000249138105 352360831 /nfs/dbraw/zinc/36/08/31/352360831.db2.gz VUBGVXHBZXLNMJ-QWHCGFSZSA-N 2 2 297.399 -0.109 20 0 CBADLP COC(=O)[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C[C@@H]1C ZINC000249138105 352360834 /nfs/dbraw/zinc/36/08/34/352360834.db2.gz VUBGVXHBZXLNMJ-QWHCGFSZSA-N 2 2 297.399 -0.109 20 0 CBADLP C[C@H](O)C[N@@H+]1CCN(CC(=O)N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000249516408 352367089 /nfs/dbraw/zinc/36/70/89/352367089.db2.gz RIZAFHDZSSEHIP-KBPBESRZSA-N 2 2 298.431 -0.853 20 0 CBADLP C[C@H](O)C[N@H+]1CCN(CC(=O)N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000249516408 352367092 /nfs/dbraw/zinc/36/70/92/352367092.db2.gz RIZAFHDZSSEHIP-KBPBESRZSA-N 2 2 298.431 -0.853 20 0 CBADLP CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000250275024 352372378 /nfs/dbraw/zinc/37/23/78/352372378.db2.gz IHJXPMVQDQHCLY-UWVGGRQHSA-N 2 2 256.350 -0.109 20 0 CBADLP CCNC(=O)NC(=O)C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000250275024 352372381 /nfs/dbraw/zinc/37/23/81/352372381.db2.gz IHJXPMVQDQHCLY-UWVGGRQHSA-N 2 2 256.350 -0.109 20 0 CBADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CCCO2)C1 ZINC000250738751 352374446 /nfs/dbraw/zinc/37/44/46/352374446.db2.gz MDYIOQNCDGWLIS-VXGBXAGGSA-N 2 2 255.362 -0.177 20 0 CBADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2CCCO2)C1 ZINC000250738751 352374450 /nfs/dbraw/zinc/37/44/50/352374450.db2.gz MDYIOQNCDGWLIS-VXGBXAGGSA-N 2 2 255.362 -0.177 20 0 CBADLP C[C@@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)CC[C@H]1O ZINC000251954345 352376597 /nfs/dbraw/zinc/37/65/97/352376597.db2.gz YKNAZYMWSBGJRJ-VXGBXAGGSA-N 2 2 255.362 -0.537 20 0 CBADLP C[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)CC[C@H]1O ZINC000251954345 352376598 /nfs/dbraw/zinc/37/65/98/352376598.db2.gz YKNAZYMWSBGJRJ-VXGBXAGGSA-N 2 2 255.362 -0.537 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000252697933 352379099 /nfs/dbraw/zinc/37/90/99/352379099.db2.gz KGEPUXWNJNVNNF-VXGBXAGGSA-N 2 2 284.404 -0.360 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000252697933 352379100 /nfs/dbraw/zinc/37/91/00/352379100.db2.gz KGEPUXWNJNVNNF-VXGBXAGGSA-N 2 2 284.404 -0.360 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@H](O)C2)CC1 ZINC000253375799 352381230 /nfs/dbraw/zinc/38/12/30/352381230.db2.gz QYXUVEGGOACGHI-QWHCGFSZSA-N 2 2 269.389 -0.004 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@H](O)C2)CC1 ZINC000253375799 352381233 /nfs/dbraw/zinc/38/12/33/352381233.db2.gz QYXUVEGGOACGHI-QWHCGFSZSA-N 2 2 269.389 -0.004 20 0 CBADLP CCNC(=O)NC(=O)[C@H](C)[N@H+](C)[C@H](C[NH3+])C1CC1 ZINC000253176260 352381266 /nfs/dbraw/zinc/38/12/66/352381266.db2.gz PMDBWYKDNNXOFK-WCBMZHEXSA-N 2 2 256.350 -0.110 20 0 CBADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)[C@H](C[NH3+])C1CC1 ZINC000253176260 352381269 /nfs/dbraw/zinc/38/12/69/352381269.db2.gz PMDBWYKDNNXOFK-WCBMZHEXSA-N 2 2 256.350 -0.110 20 0 CBADLP O=C1CC[NH+](C/C=C\C[N@@H+]2CCNC(=O)CC2)CCN1 ZINC000254992833 352384096 /nfs/dbraw/zinc/38/40/96/352384096.db2.gz WLBCRULDCJNHDA-UPHRSURJSA-N 2 2 280.372 -0.814 20 0 CBADLP O=C1CC[NH+](C/C=C\C[N@H+]2CCNC(=O)CC2)CCN1 ZINC000254992833 352384098 /nfs/dbraw/zinc/38/40/98/352384098.db2.gz WLBCRULDCJNHDA-UPHRSURJSA-N 2 2 280.372 -0.814 20 0 CBADLP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261569823 352387891 /nfs/dbraw/zinc/38/78/91/352387891.db2.gz KBJXHSDUPMOAAL-IVZWLZJFSA-N 2 2 254.334 -0.486 20 0 CBADLP CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261569823 352387894 /nfs/dbraw/zinc/38/78/94/352387894.db2.gz KBJXHSDUPMOAAL-IVZWLZJFSA-N 2 2 254.334 -0.486 20 0 CBADLP CCNC(=O)NC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261588083 352389960 /nfs/dbraw/zinc/38/99/60/352389960.db2.gz VLXIAOMBLUTLBY-UWVGGRQHSA-N 2 2 254.334 -0.627 20 0 CBADLP CCNC(=O)NC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261588083 352389962 /nfs/dbraw/zinc/38/99/62/352389962.db2.gz VLXIAOMBLUTLBY-UWVGGRQHSA-N 2 2 254.334 -0.627 20 0 CBADLP O=C(CCn1cc[nH+]c1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261623280 352392268 /nfs/dbraw/zinc/39/22/68/352392268.db2.gz AHQWUWMNVWEIOW-ZDUSSCGKSA-N 2 2 277.372 -0.221 20 0 CBADLP COCCNC(=O)CN1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000261725784 352393941 /nfs/dbraw/zinc/39/39/41/352393941.db2.gz GQZNGXPISSNIHN-HNNXBMFYSA-N 2 2 298.431 -0.634 20 0 CBADLP C[NH2+][C@H](C)CNC(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000261727132 352394274 /nfs/dbraw/zinc/39/42/74/352394274.db2.gz LHLCSBJBUZMKBM-CYBMUJFWSA-N 2 2 291.399 -0.072 20 0 CBADLP Cn1c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc(=O)n(C)c1=O ZINC000261754304 352395654 /nfs/dbraw/zinc/39/56/54/352395654.db2.gz NDEQRCBLCOPYPA-QWRGUYRKSA-N 2 2 278.356 -0.875 20 0 CBADLP Cn1c(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc(=O)n(C)c1=O ZINC000261754304 352395656 /nfs/dbraw/zinc/39/56/56/352395656.db2.gz NDEQRCBLCOPYPA-QWRGUYRKSA-N 2 2 278.356 -0.875 20 0 CBADLP CCNC(=O)NC(=O)[C@H](C)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261766638 352396831 /nfs/dbraw/zinc/39/68/31/352396831.db2.gz VMKNHWNIHCEWNV-RYUDHWBXSA-N 2 2 297.403 -0.800 20 0 CBADLP C[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)[C@H]1CO ZINC000248935366 352358381 /nfs/dbraw/zinc/35/83/81/352358381.db2.gz NCKSLHSWKAJBSL-NEPJUHHUSA-N 2 2 255.362 -0.537 20 0 CBADLP C[C@H](NC(=O)C[C@@H]1COCC[NH2+]1)[C@H](C)[NH+]1CCOCC1 ZINC000262335236 352416607 /nfs/dbraw/zinc/41/66/07/352416607.db2.gz HEZTVGBKMUKUCO-RWMBFGLXSA-N 2 2 285.388 -0.410 20 0 CBADLP CCOCC[NH+]1CCN(C(=O)C[C@@H]2COCC[NH2+]2)CC1 ZINC000262408332 352420422 /nfs/dbraw/zinc/42/04/22/352420422.db2.gz QIUZCBASXSYJNU-CYBMUJFWSA-N 2 2 285.388 -0.454 20 0 CBADLP C[C@@H](C[NH3+])C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000262412835 352421312 /nfs/dbraw/zinc/42/13/12/352421312.db2.gz QSCBSPQJFYSKQS-AAEUAGOBSA-N 2 2 287.429 -0.095 20 0 CBADLP C[NH2+][C@H](C(=O)NCC[N@@H+]1CCOC[C@H]1C)c1cnn(C)c1 ZINC000262457392 352422671 /nfs/dbraw/zinc/42/26/71/352422671.db2.gz WUILMDVYEPFPGP-YPMHNXCESA-N 2 2 295.387 -0.483 20 0 CBADLP C[NH2+][C@H](C(=O)NCC[N@H+]1CCOC[C@H]1C)c1cnn(C)c1 ZINC000262457392 352422674 /nfs/dbraw/zinc/42/26/74/352422674.db2.gz WUILMDVYEPFPGP-YPMHNXCESA-N 2 2 295.387 -0.483 20 0 CBADLP COCC[C@]1(C(=O)N2CC[NH+](CCO)CC2)CC[NH2+]C1 ZINC000262448863 352422692 /nfs/dbraw/zinc/42/26/92/352422692.db2.gz VPOFEZVKMHUVIS-CQSZACIVSA-N 2 2 285.388 -0.861 20 0 CBADLP C[C@H](CNC(=O)C[C@@H]1COCC[NH2+]1)[NH+]1CCOCC1 ZINC000262484126 352423223 /nfs/dbraw/zinc/42/32/23/352423223.db2.gz ZXIOCVAJEPAJKW-VXGBXAGGSA-N 2 2 271.361 -0.798 20 0 CBADLP C[C@H](C[NH3+])C(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000262497669 352424367 /nfs/dbraw/zinc/42/43/67/352424367.db2.gz IJGZMTITYRTIMA-GHMZBOCLSA-N 2 2 282.388 -0.608 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1)N1CC[NH+](C)CC1 ZINC000263307440 352441995 /nfs/dbraw/zinc/44/19/95/352441995.db2.gz YAMHEAZRWNPDIU-QWRGUYRKSA-N 2 2 290.358 -0.264 20 0 CBADLP CC[C@H]([NH3+])C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000262647971 352429330 /nfs/dbraw/zinc/42/93/30/352429330.db2.gz PGHIDIFOUAMAQU-LBPRGKRZSA-N 2 2 292.387 -0.548 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1CSC[NH2+]1)C[NH+]1CCN(C)CC1 ZINC000262665919 352430764 /nfs/dbraw/zinc/43/07/64/352430764.db2.gz NJFVAKYKDCHSDE-RYUDHWBXSA-N 2 2 286.445 -0.351 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1CSC[NH2+]1)CN1CC[NH+](C)CC1 ZINC000262665919 352430765 /nfs/dbraw/zinc/43/07/65/352430765.db2.gz NJFVAKYKDCHSDE-RYUDHWBXSA-N 2 2 286.445 -0.351 20 0 CBADLP C[C@H](CNC(=O)[C@H]1CC(F)(F)C[NH2+]1)N1CC[NH+](C)CC1 ZINC000263306926 352442581 /nfs/dbraw/zinc/44/25/81/352442581.db2.gz YAMHEAZRWNPDIU-GHMZBOCLSA-N 2 2 290.358 -0.264 20 0 CBADLP CO[C@@H](C[NH3+])CC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000262936849 352436736 /nfs/dbraw/zinc/43/67/36/352436736.db2.gz TZWPRQJSQZBPBS-QWHCGFSZSA-N 2 2 285.388 -0.327 20 0 CBADLP C[NH2+][C@H]1CCC[N@H+](Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC000261953945 352402277 /nfs/dbraw/zinc/40/22/77/352402277.db2.gz GIZWCTSWCMVDGE-NSHDSACASA-N 2 2 266.345 -0.732 20 0 CBADLP C[NH2+][C@H]1CCC[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC000261953945 352402282 /nfs/dbraw/zinc/40/22/82/352402282.db2.gz GIZWCTSWCMVDGE-NSHDSACASA-N 2 2 266.345 -0.732 20 0 CBADLP O=C(NCc1cn2ccccc2[nH+]1)[C@@H]1C[NH2+]CCO1 ZINC000269242698 352465024 /nfs/dbraw/zinc/46/50/24/352465024.db2.gz RJIXADMXGJYYQZ-NSHDSACASA-N 2 2 260.297 -0.061 20 0 CBADLP NC(=O)C[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000269729672 352480195 /nfs/dbraw/zinc/48/01/95/352480195.db2.gz RXUKYHGNXHCQOQ-SNVBAGLBSA-N 2 2 296.396 -0.575 20 0 CBADLP NC(=O)C[C@@H]([NH3+])C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000269729672 352480198 /nfs/dbraw/zinc/48/01/98/352480198.db2.gz RXUKYHGNXHCQOQ-SNVBAGLBSA-N 2 2 296.396 -0.575 20 0 CBADLP Cc1[nH+]ccn1CC[NH+]1CCN(C(=O)[C@H](C)O)CC1 ZINC000270938995 352505172 /nfs/dbraw/zinc/50/51/72/352505172.db2.gz YGCXMZZPDLZQHL-NSHDSACASA-N 2 2 266.345 -0.283 20 0 CBADLP C[C@H](O)C[NH+]1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000275151240 352553546 /nfs/dbraw/zinc/55/35/46/352553546.db2.gz SRBIZVPKNPALAB-LBPRGKRZSA-N 2 2 266.345 -0.202 20 0 CBADLP O=C(Cn1cc[nH+]c1)NCC1([NH+]2CCOCC2)CC1 ZINC000277725807 352573377 /nfs/dbraw/zinc/57/33/77/352573377.db2.gz YNHAKBDUVLPBCN-UHFFFAOYSA-N 2 2 264.329 -0.136 20 0 CBADLP CO[C@H](C[NH3+])C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000290069949 352671300 /nfs/dbraw/zinc/67/13/00/352671300.db2.gz VGRMDUMJLIDASM-SNVBAGLBSA-N 2 2 252.318 -0.263 20 0 CBADLP Cn1cc[nH+]c1CNC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000286714561 352648457 /nfs/dbraw/zinc/64/84/57/352648457.db2.gz DUBMZQUVLFJDLI-NSHDSACASA-N 2 2 293.371 -0.411 20 0 CBADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCc1[nH+]ccn1C ZINC000286834731 352649415 /nfs/dbraw/zinc/64/94/15/352649415.db2.gz ZLNHPTNOJWPIMI-LLVKDONJSA-N 2 2 293.371 -0.363 20 0 CBADLP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCc1[nH+]ccn1C ZINC000286834731 352649420 /nfs/dbraw/zinc/64/94/20/352649420.db2.gz ZLNHPTNOJWPIMI-LLVKDONJSA-N 2 2 293.371 -0.363 20 0 CBADLP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000283379125 352623233 /nfs/dbraw/zinc/62/32/33/352623233.db2.gz WEEASXCUOKVOJT-LBPRGKRZSA-N 2 2 295.387 -0.154 20 0 CBADLP Cn1cc[nH+]c1N1CC[NH+](CCN2CCNC2=O)CC1 ZINC000289947573 352670221 /nfs/dbraw/zinc/67/02/21/352670221.db2.gz PBJTZCLIUKNSIO-UHFFFAOYSA-N 2 2 278.360 -0.433 20 0 CBADLP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NCCn1cc[nH+]c1 ZINC000284022647 352633805 /nfs/dbraw/zinc/63/38/05/352633805.db2.gz QDUWSVCRZYCXBD-LBPRGKRZSA-N 2 2 295.387 -0.154 20 0 CBADLP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NCCn1cc[nH+]c1 ZINC000284022647 352633808 /nfs/dbraw/zinc/63/38/08/352633808.db2.gz QDUWSVCRZYCXBD-LBPRGKRZSA-N 2 2 295.387 -0.154 20 0 CBADLP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NCCn1cc[nH+]c1 ZINC000284107377 352634995 /nfs/dbraw/zinc/63/49/95/352634995.db2.gz VOIKIKATIURIGK-UHFFFAOYSA-N 2 2 293.371 -0.448 20 0 CBADLP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)NCCn1cc[nH+]c1 ZINC000284107377 352634997 /nfs/dbraw/zinc/63/49/97/352634997.db2.gz VOIKIKATIURIGK-UHFFFAOYSA-N 2 2 293.371 -0.448 20 0 CBADLP C[N@@H+]1CCO[C@H](CNC(=O)N2CCn3c[nH+]cc3C2)C1 ZINC000291111372 352681695 /nfs/dbraw/zinc/68/16/95/352681695.db2.gz XBOIAVJHWXSNHU-GFCCVEGCSA-N 2 2 279.344 -0.261 20 0 CBADLP COCC[N@H+](C)CCNC(=O)N1CCn2c[nH+]cc2C1 ZINC000291157905 352682551 /nfs/dbraw/zinc/68/25/51/352682551.db2.gz FOCADEQJOKPPFO-UHFFFAOYSA-N 2 2 281.360 -0.014 20 0 CBADLP COCC[N@@H+](C)CCNC(=O)N1CCn2c[nH+]cc2C1 ZINC000291157905 352682554 /nfs/dbraw/zinc/68/25/54/352682554.db2.gz FOCADEQJOKPPFO-UHFFFAOYSA-N 2 2 281.360 -0.014 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCCN(C(C)=O)CC1 ZINC000312599331 352775192 /nfs/dbraw/zinc/77/51/92/352775192.db2.gz RYMZGLDTPMHEDL-AWEZNQCLSA-N 2 2 287.404 -0.520 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCCN(C(C)=O)CC1 ZINC000312599331 352775195 /nfs/dbraw/zinc/77/51/95/352775195.db2.gz RYMZGLDTPMHEDL-AWEZNQCLSA-N 2 2 287.404 -0.520 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCCN(C(C)=O)CC1 ZINC000312599331 352775198 /nfs/dbraw/zinc/77/51/98/352775198.db2.gz RYMZGLDTPMHEDL-AWEZNQCLSA-N 2 2 287.404 -0.520 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCCN(C(C)=O)CC1 ZINC000312599331 352775201 /nfs/dbraw/zinc/77/52/01/352775201.db2.gz RYMZGLDTPMHEDL-AWEZNQCLSA-N 2 2 287.404 -0.520 20 0 CBADLP CN(C)c1cc[nH+]c(N(C)C[C@H](O)C[NH+]2CCOCC2)n1 ZINC000301737222 352737528 /nfs/dbraw/zinc/73/75/28/352737528.db2.gz BTQSPCTWVUJLQE-LBPRGKRZSA-N 2 2 295.387 -0.328 20 0 CBADLP NC(=O)c1c[nH+]ccc1N1CC[NH+](CCO)CC1 ZINC000302026576 352738978 /nfs/dbraw/zinc/73/89/78/352738978.db2.gz LHLMCGLCYZAPIG-UHFFFAOYSA-N 2 2 250.302 -0.705 20 0 CBADLP CC1CCN(C(=[NH2+])NC[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC000303361780 352744016 /nfs/dbraw/zinc/74/40/16/352744016.db2.gz CXMJMBJGARBJSC-CYBMUJFWSA-N 2 2 284.404 -0.064 20 0 CBADLP CN(CC[NH+]1CCCC1)C[C@@H](O)C[NH+]1CCOCC1 ZINC000305635016 352748538 /nfs/dbraw/zinc/74/85/38/352748538.db2.gz ODAYUGVCKFLFFN-CQSZACIVSA-N 2 2 271.405 -0.293 20 0 CBADLP CCS(=O)(=O)C[C@H](C)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000305759571 352750595 /nfs/dbraw/zinc/75/05/95/352750595.db2.gz CVVOKEQOJLCAAS-RYUDHWBXSA-N 2 2 278.418 -0.144 20 0 CBADLP COC[C@]1(C(=O)NCc2[nH+]ccn2C)CC[NH2+]C1 ZINC000310848738 352761820 /nfs/dbraw/zinc/76/18/20/352761820.db2.gz OCDXZMUFXNUSPM-LBPRGKRZSA-N 2 2 252.318 -0.338 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](O)C1(C)C ZINC000310860245 352763462 /nfs/dbraw/zinc/76/34/62/352763462.db2.gz RKLHDXMBCNNVDM-NWDGAFQWSA-N 2 2 260.378 -0.229 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](O)C1(C)C ZINC000310860245 352763463 /nfs/dbraw/zinc/76/34/63/352763463.db2.gz RKLHDXMBCNNVDM-NWDGAFQWSA-N 2 2 260.378 -0.229 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](O)C1(C)C ZINC000310860245 352763465 /nfs/dbraw/zinc/76/34/65/352763465.db2.gz RKLHDXMBCNNVDM-NWDGAFQWSA-N 2 2 260.378 -0.229 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](O)C1(C)C ZINC000310860245 352763466 /nfs/dbraw/zinc/76/34/66/352763466.db2.gz RKLHDXMBCNNVDM-NWDGAFQWSA-N 2 2 260.378 -0.229 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(C(=O)OC)CC1 ZINC000313117209 352776888 /nfs/dbraw/zinc/77/68/88/352776888.db2.gz OVKDRSCQWLUXLA-ZDUSSCGKSA-N 2 2 288.388 -0.190 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC(C(=O)OC)CC1 ZINC000313117209 352776889 /nfs/dbraw/zinc/77/68/89/352776889.db2.gz OVKDRSCQWLUXLA-ZDUSSCGKSA-N 2 2 288.388 -0.190 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000311722623 352769889 /nfs/dbraw/zinc/76/98/89/352769889.db2.gz PPSYOLCZSPNBMF-XDQVBPFNSA-N 2 2 272.389 -0.372 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000311722623 352769894 /nfs/dbraw/zinc/76/98/94/352769894.db2.gz PPSYOLCZSPNBMF-XDQVBPFNSA-N 2 2 272.389 -0.372 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000311722623 352769895 /nfs/dbraw/zinc/76/98/95/352769895.db2.gz PPSYOLCZSPNBMF-XDQVBPFNSA-N 2 2 272.389 -0.372 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000311722623 352769899 /nfs/dbraw/zinc/76/98/99/352769899.db2.gz PPSYOLCZSPNBMF-XDQVBPFNSA-N 2 2 272.389 -0.372 20 0 CBADLP O=C(C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1)NC[C@H]1CCCO1 ZINC000311832496 352771228 /nfs/dbraw/zinc/77/12/28/352771228.db2.gz LTYROYXDYNIDCF-TZMCWYRMSA-N 2 2 267.373 -0.033 20 0 CBADLP O=C(C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)NC[C@H]1CCCO1 ZINC000311832496 352771230 /nfs/dbraw/zinc/77/12/30/352771230.db2.gz LTYROYXDYNIDCF-TZMCWYRMSA-N 2 2 267.373 -0.033 20 0 CBADLP COC[C@]1(C(=O)NCC[NH+]2CCOCC2)CC[NH2+]C1 ZINC000311948258 352772578 /nfs/dbraw/zinc/77/25/78/352772578.db2.gz YROSMHBDVNYTSO-ZDUSSCGKSA-N 2 2 271.361 -0.939 20 0 CBADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000330364276 352813322 /nfs/dbraw/zinc/81/33/22/352813322.db2.gz IYSPKSJKPJJZBE-JTQLQIEISA-N 2 2 258.347 -0.446 20 0 CBADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000330364276 352813326 /nfs/dbraw/zinc/81/33/26/352813326.db2.gz IYSPKSJKPJJZBE-JTQLQIEISA-N 2 2 258.347 -0.446 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)N[C@H](C)C[NH+]2CCOCC2)[N@H+](C)C1 ZINC000330546693 352845118 /nfs/dbraw/zinc/84/51/18/352845118.db2.gz ZFRRUSPRYWZTQP-AGIUHOORSA-N 2 2 285.388 -0.458 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)N[C@H](C)C[NH+]2CCOCC2)[N@@H+](C)C1 ZINC000330546693 352845121 /nfs/dbraw/zinc/84/51/21/352845121.db2.gz ZFRRUSPRYWZTQP-AGIUHOORSA-N 2 2 285.388 -0.458 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)NCC[NH+]2CCOC[C@H]2C)[N@H+](C)C1 ZINC000330553895 352846948 /nfs/dbraw/zinc/84/69/48/352846948.db2.gz ULZRXIUYRBWOHO-AGIUHOORSA-N 2 2 285.388 -0.458 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)NCC[NH+]2CCOC[C@H]2C)[N@@H+](C)C1 ZINC000330553895 352846952 /nfs/dbraw/zinc/84/69/52/352846952.db2.gz ULZRXIUYRBWOHO-AGIUHOORSA-N 2 2 285.388 -0.458 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)NCC[N@@H+]2CCOC[C@H]2C)[NH+](C)C1 ZINC000330553895 352846956 /nfs/dbraw/zinc/84/69/56/352846956.db2.gz ULZRXIUYRBWOHO-AGIUHOORSA-N 2 2 285.388 -0.458 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)NCC[N@H+]2CCOC[C@H]2C)[NH+](C)C1 ZINC000330553895 352846957 /nfs/dbraw/zinc/84/69/57/352846957.db2.gz ULZRXIUYRBWOHO-AGIUHOORSA-N 2 2 285.388 -0.458 20 0 CBADLP CN(C(=O)NCC[NH+]1CCOCC1)C1CC([NH3+])C1 ZINC000331390469 352910851 /nfs/dbraw/zinc/91/08/51/352910851.db2.gz CUXSKRPTNWIGEB-UHFFFAOYSA-N 2 2 256.350 -0.550 20 0 CBADLP Cc1[nH+]ccn1CCC[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000332104368 352935749 /nfs/dbraw/zinc/93/57/49/352935749.db2.gz FPKOUONCPDAZBC-NSHDSACASA-N 2 2 277.328 -0.182 20 0 CBADLP Cc1[nH+]ccn1CCC[N@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000332104368 352935750 /nfs/dbraw/zinc/93/57/50/352935750.db2.gz FPKOUONCPDAZBC-NSHDSACASA-N 2 2 277.328 -0.182 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000331149281 352884436 /nfs/dbraw/zinc/88/44/36/352884436.db2.gz IXDOYCKCBJQDIW-KGLIPLIRSA-N 2 2 299.415 -0.520 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000331149281 352884442 /nfs/dbraw/zinc/88/44/42/352884442.db2.gz IXDOYCKCBJQDIW-KGLIPLIRSA-N 2 2 299.415 -0.520 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000331149282 352884954 /nfs/dbraw/zinc/88/49/54/352884954.db2.gz IXDOYCKCBJQDIW-UONOGXRCSA-N 2 2 299.415 -0.520 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000331149282 352884959 /nfs/dbraw/zinc/88/49/59/352884959.db2.gz IXDOYCKCBJQDIW-UONOGXRCSA-N 2 2 299.415 -0.520 20 0 CBADLP COC(=O)[C@](C)(O)C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000331196966 352891234 /nfs/dbraw/zinc/89/12/34/352891234.db2.gz SKJIVCNBGSLLQU-CYBMUJFWSA-N 2 2 282.344 -0.534 20 0 CBADLP C[C@@H]1CN(C(=O)C(=O)N2CCn3c[nH+]cc3C2)C[C@@H](C)[NH2+]1 ZINC000332727738 352979538 /nfs/dbraw/zinc/97/95/38/352979538.db2.gz YUSNTYABWBHPOG-GHMZBOCLSA-N 2 2 291.355 -0.566 20 0 CBADLP C[C@H]1CN(C(=O)C(=O)N2CCn3c[nH+]cc3C2)C[C@H](C)[NH2+]1 ZINC000332727742 352979606 /nfs/dbraw/zinc/97/96/06/352979606.db2.gz YUSNTYABWBHPOG-QWRGUYRKSA-N 2 2 291.355 -0.566 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)CC1 ZINC000332265979 352941511 /nfs/dbraw/zinc/94/15/11/352941511.db2.gz WANCYGBLDYVOSO-CHWSQXEVSA-N 2 2 294.399 -0.782 20 0 CBADLP O=C(N[C@H]1CCn2cc[nH+]c2C1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000332990285 352995148 /nfs/dbraw/zinc/99/51/48/352995148.db2.gz AFJOULOSYGKBSE-STQMWFEESA-N 2 2 289.383 -0.296 20 0 CBADLP O=C(N[C@H]1CCn2cc[nH+]c2C1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000332990285 352995150 /nfs/dbraw/zinc/99/51/50/352995150.db2.gz AFJOULOSYGKBSE-STQMWFEESA-N 2 2 289.383 -0.296 20 0 CBADLP C[N@@H+]1CCO[C@@H](CNC(=O)N[C@@H]2CCCC[NH2+]C2)C1 ZINC000333613000 353005502 /nfs/dbraw/zinc/00/55/02/353005502.db2.gz QUHMVSQQKUFMFN-NEPJUHHUSA-N 2 2 270.377 -0.242 20 0 CBADLP C[N@H+]1CCO[C@@H](CNC(=O)N[C@@H]2CCCC[NH2+]C2)C1 ZINC000333613000 353005506 /nfs/dbraw/zinc/00/55/06/353005506.db2.gz QUHMVSQQKUFMFN-NEPJUHHUSA-N 2 2 270.377 -0.242 20 0 CBADLP CC1(C)C[N@H+](CCNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CCO1 ZINC000333811881 353010987 /nfs/dbraw/zinc/01/09/87/353010987.db2.gz PRTCSIBMFSNHAB-GDNZZTSVSA-N 2 2 282.388 -0.386 20 0 CBADLP CC1(C)C[N@@H+](CCNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CCO1 ZINC000333811881 353010989 /nfs/dbraw/zinc/01/09/89/353010989.db2.gz PRTCSIBMFSNHAB-GDNZZTSVSA-N 2 2 282.388 -0.386 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000333858662 353012582 /nfs/dbraw/zinc/01/25/82/353012582.db2.gz YWMXMYIVLDGCJT-XQQFMLRXSA-N 2 2 282.388 -0.290 20 0 CBADLP C[N@H+](C[C@@H](O)C[NH+]1CCC(OCCO)CC1)C1CC1 ZINC000336811561 353057982 /nfs/dbraw/zinc/05/79/82/353057982.db2.gz NNBBYNQEEJVWBH-CYBMUJFWSA-N 2 2 272.389 -0.085 20 0 CBADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC(OCCO)CC1)C1CC1 ZINC000336811561 353057987 /nfs/dbraw/zinc/05/79/87/353057987.db2.gz NNBBYNQEEJVWBH-CYBMUJFWSA-N 2 2 272.389 -0.085 20 0 CBADLP C[N@H+](C[C@H](O)CN1C[C@@H]2[C@H](C1)OCC[NH+]2C)C1CC1 ZINC000336809526 353058358 /nfs/dbraw/zinc/05/83/58/353058358.db2.gz FSLCDAPPNKCHSX-MJBXVCDLSA-N 2 2 269.389 -0.544 20 0 CBADLP C[N@@H+](C[C@H](O)CN1C[C@@H]2[C@H](C1)OCC[NH+]2C)C1CC1 ZINC000336809526 353058361 /nfs/dbraw/zinc/05/83/61/353058361.db2.gz FSLCDAPPNKCHSX-MJBXVCDLSA-N 2 2 269.389 -0.544 20 0 CBADLP C[NH+](C[C@H](O)CN1C[C@@H]2[C@H](C1)OCC[N@@H+]2C)C1CC1 ZINC000336809526 353058365 /nfs/dbraw/zinc/05/83/65/353058365.db2.gz FSLCDAPPNKCHSX-MJBXVCDLSA-N 2 2 269.389 -0.544 20 0 CBADLP C[NH+](C[C@H](O)CN1C[C@@H]2[C@H](C1)OCC[N@H+]2C)C1CC1 ZINC000336809526 353058367 /nfs/dbraw/zinc/05/83/67/353058367.db2.gz FSLCDAPPNKCHSX-MJBXVCDLSA-N 2 2 269.389 -0.544 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](O)C(C)(C)C2)CC1 ZINC000336814374 353059294 /nfs/dbraw/zinc/05/92/94/353059294.db2.gz WYZXOUTWIOYFIN-LBPRGKRZSA-N 2 2 269.389 -0.147 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](O)C(C)(C)C2)CC1 ZINC000336814374 353059297 /nfs/dbraw/zinc/05/92/97/353059297.db2.gz WYZXOUTWIOYFIN-LBPRGKRZSA-N 2 2 269.389 -0.147 20 0 CBADLP CN(C[C@H](O)C[NH+]1CCOCC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000336826820 353061203 /nfs/dbraw/zinc/06/12/03/353061203.db2.gz WLSZTUCZYUZGPG-CABCVRRESA-N 2 2 283.416 -0.152 20 0 CBADLP CN(C[C@H](O)C[NH+]1CCOCC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000336826820 353061206 /nfs/dbraw/zinc/06/12/06/353061206.db2.gz WLSZTUCZYUZGPG-CABCVRRESA-N 2 2 283.416 -0.152 20 0 CBADLP CN(C)c1[nH+]cc(C[NH2+]CC(=O)N2CCOCC2)n1C ZINC000336826238 353061253 /nfs/dbraw/zinc/06/12/53/353061253.db2.gz KMFCZIWLFKCIIX-UHFFFAOYSA-N 2 2 281.360 -0.566 20 0 CBADLP C[NH+](C)C[C@H]1CC[N@H+](CCN2CCCS2(=O)=O)C1 ZINC000336694202 353047020 /nfs/dbraw/zinc/04/70/20/353047020.db2.gz DLTWUESCBHWXGI-GFCCVEGCSA-N 2 2 275.418 -0.095 20 0 CBADLP C[NH+](C)C[C@H]1CC[N@@H+](CCN2CCCS2(=O)=O)C1 ZINC000336694202 353047021 /nfs/dbraw/zinc/04/70/21/353047021.db2.gz DLTWUESCBHWXGI-GFCCVEGCSA-N 2 2 275.418 -0.095 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](O)C2(C)C)CC1 ZINC000336796089 353053829 /nfs/dbraw/zinc/05/38/29/353053829.db2.gz PJBAVHOLDHICHT-LLVKDONJSA-N 2 2 255.362 -0.394 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](O)C2(C)C)CC1 ZINC000336796089 353053833 /nfs/dbraw/zinc/05/38/33/353053833.db2.gz PJBAVHOLDHICHT-LLVKDONJSA-N 2 2 255.362 -0.394 20 0 CBADLP CC(C)[N@H+](C)CCNC(=O)NCC[NH+]1CCOCC1 ZINC000338474123 353104580 /nfs/dbraw/zinc/10/45/80/353104580.db2.gz HLSPYWGUJUKIDL-UHFFFAOYSA-N 2 2 272.393 -0.042 20 0 CBADLP CC(C)[N@@H+](C)CCNC(=O)NCC[NH+]1CCOCC1 ZINC000338474123 353104582 /nfs/dbraw/zinc/10/45/82/353104582.db2.gz HLSPYWGUJUKIDL-UHFFFAOYSA-N 2 2 272.393 -0.042 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@](F)(CO)C2)CC1 ZINC000338588751 353107308 /nfs/dbraw/zinc/10/73/08/353107308.db2.gz NPNKFAYOJRWHQZ-CYBMUJFWSA-N 2 2 273.352 -0.443 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@](F)(CO)C2)CC1 ZINC000338588751 353107310 /nfs/dbraw/zinc/10/73/10/353107310.db2.gz NPNKFAYOJRWHQZ-CYBMUJFWSA-N 2 2 273.352 -0.443 20 0 CBADLP C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCC[NH+]1CCCC1 ZINC000337233504 353079631 /nfs/dbraw/zinc/07/96/31/353079631.db2.gz WNNWSRJYOUBZLR-JTQLQIEISA-N 2 2 256.350 -0.013 20 0 CBADLP C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337233504 353079634 /nfs/dbraw/zinc/07/96/34/353079634.db2.gz WNNWSRJYOUBZLR-JTQLQIEISA-N 2 2 256.350 -0.013 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CC[NH+](C)CC1 ZINC000337445524 353083356 /nfs/dbraw/zinc/08/33/56/353083356.db2.gz CCAXFOOMFQYJQY-LBPRGKRZSA-N 2 2 270.377 -0.336 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338248634 353090852 /nfs/dbraw/zinc/09/08/52/353090852.db2.gz AWTWOSQBZYIGIA-GFCCVEGCSA-N 2 2 255.362 -0.129 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338248634 353090856 /nfs/dbraw/zinc/09/08/56/353090856.db2.gz AWTWOSQBZYIGIA-GFCCVEGCSA-N 2 2 255.362 -0.129 20 0 CBADLP C[C@@H]1CO[C@@H](CO)C[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338271574 353092696 /nfs/dbraw/zinc/09/26/96/353092696.db2.gz NNRJTYGXDHQZBM-CHWSQXEVSA-N 2 2 285.388 -0.768 20 0 CBADLP C[C@@H]1CO[C@@H](CO)C[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338271574 353092698 /nfs/dbraw/zinc/09/26/98/353092698.db2.gz NNRJTYGXDHQZBM-CHWSQXEVSA-N 2 2 285.388 -0.768 20 0 CBADLP C[C@H](O)C[C@H]1COCC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338293055 353093407 /nfs/dbraw/zinc/09/34/07/353093407.db2.gz FZPVDGIPRLPGDT-KBPBESRZSA-N 2 2 299.415 -0.378 20 0 CBADLP C[C@H](O)C[C@H]1COCC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338293055 353093412 /nfs/dbraw/zinc/09/34/12/353093412.db2.gz FZPVDGIPRLPGDT-KBPBESRZSA-N 2 2 299.415 -0.378 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCN(C3CC3)C(=O)C2)CC1 ZINC000338320727 353095582 /nfs/dbraw/zinc/09/55/82/353095582.db2.gz ZJFVXUSZLFBMCG-UHFFFAOYSA-N 2 2 294.399 -0.543 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCN(C3CC3)C(=O)C2)CC1 ZINC000338320727 353095584 /nfs/dbraw/zinc/09/55/84/353095584.db2.gz ZJFVXUSZLFBMCG-UHFFFAOYSA-N 2 2 294.399 -0.543 20 0 CBADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)[C@@H]2CCNC2=O)CC1 ZINC000340220989 353158503 /nfs/dbraw/zinc/15/85/03/353158503.db2.gz GKPKTVUGASJEOU-CYBMUJFWSA-N 2 2 296.415 -0.204 20 0 CBADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@H]2CCNC2=O)CC1 ZINC000340220989 353158505 /nfs/dbraw/zinc/15/85/05/353158505.db2.gz GKPKTVUGASJEOU-CYBMUJFWSA-N 2 2 296.415 -0.204 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC000340959636 353194774 /nfs/dbraw/zinc/19/47/74/353194774.db2.gz DPZWDLQQIIJWNK-AWEZNQCLSA-N 2 2 298.431 -0.147 20 0 CBADLP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000340664666 353182017 /nfs/dbraw/zinc/18/20/17/353182017.db2.gz SQJNOAYIDULXIK-NEPJUHHUSA-N 2 2 295.387 -0.156 20 0 CBADLP C[NH+]1CCN(C(=O)CSCC[NH+]2CCOCC2)CC1 ZINC000340666505 353182029 /nfs/dbraw/zinc/18/20/29/353182029.db2.gz IUMFTIYHHBSPSZ-UHFFFAOYSA-N 2 2 287.429 -0.174 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH+]1CCOCC1 ZINC000341069241 353200158 /nfs/dbraw/zinc/20/01/58/353200158.db2.gz WCYTVDGEXNWCFB-VXGBXAGGSA-N 2 2 255.362 -0.368 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH+]1CCOCC1 ZINC000341069241 353200160 /nfs/dbraw/zinc/20/01/60/353200160.db2.gz WCYTVDGEXNWCFB-VXGBXAGGSA-N 2 2 255.362 -0.368 20 0 CBADLP CCCCNC(=O)CC[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000341197632 353205027 /nfs/dbraw/zinc/20/50/27/353205027.db2.gz XGVBCDDYJFQGHK-UHFFFAOYSA-N 2 2 298.431 -0.001 20 0 CBADLP C[C@H](C(=O)N1CC[C@@H]([NH+](C)C)C1)[NH+]1CCOCC1 ZINC000342859775 353236124 /nfs/dbraw/zinc/23/61/24/353236124.db2.gz XYPHINUUAKZLHS-VXGBXAGGSA-N 2 2 255.362 -0.130 20 0 CBADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NCC[NH+](C)C ZINC000342665614 353226392 /nfs/dbraw/zinc/22/63/92/353226392.db2.gz PGYKVUFBSOEXBA-LBPRGKRZSA-N 2 2 271.409 -0.517 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H]([NH3+])CCC(=O)OC)CC1 ZINC000342662581 353226410 /nfs/dbraw/zinc/22/64/10/353226410.db2.gz WHFSDXWBBCLXCW-JTQLQIEISA-N 2 2 257.334 -0.569 20 0 CBADLP O=C(NCC[NH+]1CCOCC1)[C@H]1CC[NH2+]CC1(F)F ZINC000342668170 353226927 /nfs/dbraw/zinc/22/69/27/353226927.db2.gz POFYUFBYDFJGBW-SNVBAGLBSA-N 2 2 277.315 -0.320 20 0 CBADLP CN1CC[N@H+](C)[C@H](CNC(=O)NCC[NH+](C)C)C1 ZINC000342665306 353226973 /nfs/dbraw/zinc/22/69/73/353226973.db2.gz LSAVOVJGGDLSPC-LLVKDONJSA-N 2 2 257.382 -0.907 20 0 CBADLP CN1CC[N@@H+](C)[C@H](CNC(=O)NCC[NH+](C)C)C1 ZINC000342665306 353226974 /nfs/dbraw/zinc/22/69/74/353226974.db2.gz LSAVOVJGGDLSPC-LLVKDONJSA-N 2 2 257.382 -0.907 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000342699921 353228448 /nfs/dbraw/zinc/22/84/48/353228448.db2.gz WVHZMBDOQFWWET-NWDGAFQWSA-N 2 2 255.362 -0.177 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000342699921 353228450 /nfs/dbraw/zinc/22/84/50/353228450.db2.gz WVHZMBDOQFWWET-NWDGAFQWSA-N 2 2 255.362 -0.177 20 0 CBADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1ncc[nH]1 ZINC000342990423 353246296 /nfs/dbraw/zinc/24/62/96/353246296.db2.gz CWAWWMVCHIJFMK-JTQLQIEISA-N 2 2 251.334 -0.161 20 0 CBADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1ncc[nH]1 ZINC000342990423 353246297 /nfs/dbraw/zinc/24/62/97/353246297.db2.gz CWAWWMVCHIJFMK-JTQLQIEISA-N 2 2 251.334 -0.161 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000343136509 353255792 /nfs/dbraw/zinc/25/57/92/353255792.db2.gz ZXNRKUPTPDIJAI-ZIAGYGMSSA-N 2 2 296.415 -0.787 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000343136509 353255793 /nfs/dbraw/zinc/25/57/93/353255793.db2.gz ZXNRKUPTPDIJAI-ZIAGYGMSSA-N 2 2 296.415 -0.787 20 0 CBADLP C[C@@H](C[NH+](C)C)NC(=O)NCC[NH+]1CCOCC1 ZINC000342908834 353240105 /nfs/dbraw/zinc/24/01/05/353240105.db2.gz JOJSXWAFCJHQFX-NSHDSACASA-N 2 2 258.366 -0.432 20 0 CBADLP [NH3+]CC(F)(F)CNC(=O)[C@H]1CC[NH2+]CC1(F)F ZINC000343530808 353277316 /nfs/dbraw/zinc/27/73/16/353277316.db2.gz OZXOVMWUGLIXFC-ZCFIWIBFSA-N 2 2 257.231 -0.059 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)NCC[N@H+](C)C2CC2)CC1 ZINC000343300539 353265842 /nfs/dbraw/zinc/26/58/42/353265842.db2.gz ORBTYXMKWHCFKW-UHFFFAOYSA-N 2 2 282.388 -0.639 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)NCC[N@@H+](C)C2CC2)CC1 ZINC000343300539 353265844 /nfs/dbraw/zinc/26/58/44/353265844.db2.gz ORBTYXMKWHCFKW-UHFFFAOYSA-N 2 2 282.388 -0.639 20 0 CBADLP C[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C[C@@H]1n1cc[nH+]c1 ZINC000156515994 188266770 /nfs/dbraw/zinc/26/67/70/188266770.db2.gz AAEXLIZWSTUHPR-ZJUUUORDSA-N 2 2 265.317 -0.039 20 0 CBADLP C[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C[C@@H]1n1cc[nH+]c1 ZINC000156515994 188266771 /nfs/dbraw/zinc/26/67/71/188266771.db2.gz AAEXLIZWSTUHPR-ZJUUUORDSA-N 2 2 265.317 -0.039 20 0 CBADLP O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)[C@H]1CCC[NH2+]C1 ZINC000343898836 353297179 /nfs/dbraw/zinc/29/71/79/353297179.db2.gz YMEYYFLAIVAPMB-WCQYABFASA-N 2 2 267.373 -0.035 20 0 CBADLP O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)[C@H]1CCC[NH2+]C1 ZINC000343898836 353297181 /nfs/dbraw/zinc/29/71/81/353297181.db2.gz YMEYYFLAIVAPMB-WCQYABFASA-N 2 2 267.373 -0.035 20 0 CBADLP CC[NH+]1CCN(CC(=O)NCC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC000345440195 353331205 /nfs/dbraw/zinc/33/12/05/353331205.db2.gz PEHHRGVMVNUCSO-AWEZNQCLSA-N 2 2 298.431 -0.539 20 0 CBADLP CC[NH+]1CCN(CC(=O)NCC[N@H+]2CCOC[C@@H]2C)CC1 ZINC000345440195 353331215 /nfs/dbraw/zinc/33/12/15/353331215.db2.gz PEHHRGVMVNUCSO-AWEZNQCLSA-N 2 2 298.431 -0.539 20 0 CBADLP CC[NH+]1CCN([C@H](C)CNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000346156988 353364695 /nfs/dbraw/zinc/36/46/95/353364695.db2.gz SXHDSCYQAQCYKG-KGLIPLIRSA-N 2 2 298.431 -0.541 20 0 CBADLP CC[NH+]1CCN([C@H](C)CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000346156988 353364699 /nfs/dbraw/zinc/36/46/99/353364699.db2.gz SXHDSCYQAQCYKG-KGLIPLIRSA-N 2 2 298.431 -0.541 20 0 CBADLP C[C@@H](CO)[N@@H+]1CCCN(CC[NH+]2CCOCC2)CC1 ZINC000346694843 353391106 /nfs/dbraw/zinc/39/11/06/353391106.db2.gz WPBAUFBPZWJOIF-AWEZNQCLSA-N 2 2 271.405 -0.293 20 0 CBADLP C[C@@H](CO)[N@H+]1CCCN(CC[NH+]2CCOCC2)CC1 ZINC000346694843 353391107 /nfs/dbraw/zinc/39/11/07/353391107.db2.gz WPBAUFBPZWJOIF-AWEZNQCLSA-N 2 2 271.405 -0.293 20 0 CBADLP CN(C)c1ncc(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)cn1 ZINC000347012273 353394305 /nfs/dbraw/zinc/39/43/05/353394305.db2.gz HAFBGJHOWLDKKH-UHFFFAOYSA-N 2 2 292.387 -0.594 20 0 CBADLP CN(C)c1ncc(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)cn1 ZINC000347012273 353394307 /nfs/dbraw/zinc/39/43/07/353394307.db2.gz HAFBGJHOWLDKKH-UHFFFAOYSA-N 2 2 292.387 -0.594 20 0 CBADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000346298487 353370359 /nfs/dbraw/zinc/37/03/59/353370359.db2.gz WCHSGPBZKCLYAO-NWDGAFQWSA-N 2 2 296.415 -0.088 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000346556121 353382689 /nfs/dbraw/zinc/38/26/89/353382689.db2.gz XQJYZIBXUBDEEO-RYUDHWBXSA-N 2 2 255.362 -0.083 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC000346556121 353382692 /nfs/dbraw/zinc/38/26/92/353382692.db2.gz XQJYZIBXUBDEEO-RYUDHWBXSA-N 2 2 255.362 -0.083 20 0 CBADLP O=C(CCOC1C[NH2+]C1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000349006126 353443849 /nfs/dbraw/zinc/44/38/49/353443849.db2.gz SUMJPLOVBNZWQZ-CYBMUJFWSA-N 2 2 297.399 -0.312 20 0 CBADLP C[C@H](CNC(=O)CCOC1C[NH2+]C1)[NH+]1CCOCC1 ZINC000349006997 353444982 /nfs/dbraw/zinc/44/49/82/353444982.db2.gz UVTPQLHIMKGFNF-LLVKDONJSA-N 2 2 271.361 -0.798 20 0 CBADLP Cn1nncc1C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000352544982 353491706 /nfs/dbraw/zinc/49/17/06/353491706.db2.gz FNDBDCREZGTMAO-LLVKDONJSA-N 2 2 250.350 -0.705 20 0 CBADLP CC(C)[NH+]1CCN(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC000350075095 353472273 /nfs/dbraw/zinc/47/22/73/353472273.db2.gz PHQLWTUUKYJOJF-CQSZACIVSA-N 2 2 297.447 -0.032 20 0 CBADLP CC(C)[NH+]1CCN(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC000350075095 353472277 /nfs/dbraw/zinc/47/22/77/353472277.db2.gz PHQLWTUUKYJOJF-CQSZACIVSA-N 2 2 297.447 -0.032 20 0 CBADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCS(=O)(=O)N(C)C)C1 ZINC000353096049 353520638 /nfs/dbraw/zinc/52/06/38/353520638.db2.gz QPSBWYBEOZSMMW-GHMZBOCLSA-N 2 2 263.407 -0.192 20 0 CBADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCS(=O)(=O)N(C)C)C1 ZINC000353096049 353520642 /nfs/dbraw/zinc/52/06/42/353520642.db2.gz QPSBWYBEOZSMMW-GHMZBOCLSA-N 2 2 263.407 -0.192 20 0 CBADLP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000353173023 353524116 /nfs/dbraw/zinc/52/41/16/353524116.db2.gz MBAKNAWIEYWJDD-MNOVXSKESA-N 2 2 284.404 -0.232 20 0 CBADLP CO[C@@H](C[NH3+])C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000353441636 353532849 /nfs/dbraw/zinc/53/28/49/353532849.db2.gz ARADTTCKOWHYTK-STQMWFEESA-N 2 2 285.388 -0.327 20 0 CBADLP COC[C@@H]([NH3+])C(=O)NCCCNc1cccc[nH+]1 ZINC000354067678 353541601 /nfs/dbraw/zinc/54/16/01/353541601.db2.gz FDKVAUNEUUODCU-SNVBAGLBSA-N 2 2 252.318 -0.027 20 0 CBADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@@H]([NH3+])COC)CC1 ZINC000354074519 353542720 /nfs/dbraw/zinc/54/27/20/353542720.db2.gz VMQNDKSDNNXUOJ-OLZOCXBDSA-N 2 2 286.420 -0.650 20 0 CBADLP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)C[NH+](C)C ZINC000354712400 353580487 /nfs/dbraw/zinc/58/04/87/353580487.db2.gz OTZZUGLONPJUQN-GFCCVEGCSA-N 2 2 256.394 -0.310 20 0 CBADLP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)C[NH+](C)C ZINC000354712400 353580489 /nfs/dbraw/zinc/58/04/89/353580489.db2.gz OTZZUGLONPJUQN-GFCCVEGCSA-N 2 2 256.394 -0.310 20 0 CBADLP C[C@@H](C(=O)NCC[N@@H+]1CCOC[C@@H]1C)N1CC[NH+](C)CC1 ZINC000355703215 353596214 /nfs/dbraw/zinc/59/62/14/353596214.db2.gz XEXHGMMGBCWXOY-KBPBESRZSA-N 2 2 298.431 -0.541 20 0 CBADLP C[C@@H](C(=O)NCC[N@H+]1CCOC[C@@H]1C)N1CC[NH+](C)CC1 ZINC000355703215 353596217 /nfs/dbraw/zinc/59/62/17/353596217.db2.gz XEXHGMMGBCWXOY-KBPBESRZSA-N 2 2 298.431 -0.541 20 0 CBADLP CC[NH+](CC)CC(=O)N1CC[NH+](C[C@@H]2COCCO2)CC1 ZINC000354370511 353557889 /nfs/dbraw/zinc/55/78/89/353557889.db2.gz AJLHBKIPLUFDMU-CQSZACIVSA-N 2 2 299.415 -0.112 20 0 CBADLP C[C@H](CNC(=O)C[C@H]1COCC[NH2+]1)CN1CC[NH+](C)CC1 ZINC000357249348 353602584 /nfs/dbraw/zinc/60/25/84/353602584.db2.gz SEIMIBBCWPACAT-KGLIPLIRSA-N 2 2 298.431 -0.635 20 0 CBADLP COC(=O)c1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)[nH]1 ZINC000358284557 353635742 /nfs/dbraw/zinc/63/57/42/353635742.db2.gz WWBPAZGRUPGORT-ZDUSSCGKSA-N 2 2 267.329 -0.043 20 0 CBADLP COC(=O)c1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)[nH]1 ZINC000358284557 353635744 /nfs/dbraw/zinc/63/57/44/353635744.db2.gz WWBPAZGRUPGORT-ZDUSSCGKSA-N 2 2 267.329 -0.043 20 0 CBADLP O=C(NCc1cn2ccccc2[nH+]1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000357916733 353614363 /nfs/dbraw/zinc/61/43/63/353614363.db2.gz HYNKLULWIBWRDJ-QWRGUYRKSA-N 2 2 260.297 -0.327 20 0 CBADLP O=C(NCc1ccn2cc[nH+]c2c1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000357934579 353615468 /nfs/dbraw/zinc/61/54/68/353615468.db2.gz SSMZYYRPHRNSLS-WDEREUQCSA-N 2 2 260.297 -0.327 20 0 CBADLP C[N@H+](CCCO)C1CC[NH+]([C@H]2COC[C@@H]2O)CC1 ZINC000361313721 353660868 /nfs/dbraw/zinc/66/08/68/353660868.db2.gz NYSFGLOLUDENSL-STQMWFEESA-N 2 2 258.362 -0.475 20 0 CBADLP C[N@@H+](CCCO)C1CC[NH+]([C@H]2COC[C@@H]2O)CC1 ZINC000361313721 353660870 /nfs/dbraw/zinc/66/08/70/353660870.db2.gz NYSFGLOLUDENSL-STQMWFEESA-N 2 2 258.362 -0.475 20 0 CBADLP O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)[C@H]1C[NH2+]CCO1 ZINC000361717951 353663320 /nfs/dbraw/zinc/66/33/20/353663320.db2.gz KGTXOJFZVNWGNC-HZSPNIEDSA-N 2 2 297.399 -0.266 20 0 CBADLP O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)[C@@H]1C[NH2+]CCO1 ZINC000361717954 353664383 /nfs/dbraw/zinc/66/43/83/353664383.db2.gz KGTXOJFZVNWGNC-RDBSUJKOSA-N 2 2 297.399 -0.266 20 0 CBADLP O=C(C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)NCC1CC1 ZINC000362827049 353668514 /nfs/dbraw/zinc/66/85/14/353668514.db2.gz RGWSVGZFDMJTBS-ZDUSSCGKSA-N 2 2 294.399 -0.591 20 0 CBADLP O=C(C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)NCC1CC1 ZINC000362827049 353668517 /nfs/dbraw/zinc/66/85/17/353668517.db2.gz RGWSVGZFDMJTBS-ZDUSSCGKSA-N 2 2 294.399 -0.591 20 0 CBADLP C[NH2+]CCC(=O)N1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000367506913 353682079 /nfs/dbraw/zinc/68/20/79/353682079.db2.gz HMUNRAGVVKMCTA-GFCCVEGCSA-N 2 2 282.388 -0.591 20 0 CBADLP C[C@@H](C[NH3+])C(=O)N1CC[NH+](C2(C(N)=O)CCCCC2)CC1 ZINC000367505572 353682450 /nfs/dbraw/zinc/68/24/50/353682450.db2.gz CEAMQJZDRPQHOH-LBPRGKRZSA-N 2 2 296.415 -0.086 20 0 CBADLP CN(CCO)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371314030 353700183 /nfs/dbraw/zinc/70/01/83/353700183.db2.gz PPESMCOCNYIVTI-GFCCVEGCSA-N 2 2 284.404 -0.211 20 0 CBADLP CN(CCO)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371314030 353700184 /nfs/dbraw/zinc/70/01/84/353700184.db2.gz PPESMCOCNYIVTI-GFCCVEGCSA-N 2 2 284.404 -0.211 20 0 CBADLP O=C([C@@H]1C[C@H]2CCCC[N@@H+]2C1)N1CC[NH+](CCO)CC1 ZINC000371902346 353707860 /nfs/dbraw/zinc/70/78/60/353707860.db2.gz QPPSVVPNXWSUFM-ZIAGYGMSSA-N 2 2 281.400 -0.003 20 0 CBADLP O=C([C@@H]1C[C@H]2CCCC[N@H+]2C1)N1CC[NH+](CCO)CC1 ZINC000371902346 353707861 /nfs/dbraw/zinc/70/78/61/353707861.db2.gz QPPSVVPNXWSUFM-ZIAGYGMSSA-N 2 2 281.400 -0.003 20 0 CBADLP O=C(NC[C@@H](O)C[NH+]1CCOCC1)[C@@H]1C[NH+]2CCC1CC2 ZINC000372285315 353713973 /nfs/dbraw/zinc/71/39/73/353713973.db2.gz LHDAWIRIUCLNRK-ZIAGYGMSSA-N 2 2 297.399 -0.863 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CC(O)(C3CC3)C2)CC1 ZINC000372689561 353720963 /nfs/dbraw/zinc/72/09/63/353720963.db2.gz DWIKGKZOCGKZSA-LBPRGKRZSA-N 2 2 281.400 -0.004 20 0 CBADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000372720333 353722274 /nfs/dbraw/zinc/72/22/74/353722274.db2.gz AXEBENUBUFZMMU-QWHCGFSZSA-N 2 2 292.383 -0.030 20 0 CBADLP C[NH2+]CCCC(=O)N1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000373086555 353725640 /nfs/dbraw/zinc/72/56/40/353725640.db2.gz DPURHWNRZQRYCG-CYBMUJFWSA-N 2 2 296.415 -0.201 20 0 CBADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@@H]1COCC[NH2+]1 ZINC000373039740 353725669 /nfs/dbraw/zinc/72/56/69/353725669.db2.gz MGABTQOBVAUHNA-JLLWLGSASA-N 2 2 253.346 -0.426 20 0 CBADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)[C@@H]1COCC[NH2+]1 ZINC000373039740 353725670 /nfs/dbraw/zinc/72/56/70/353725670.db2.gz MGABTQOBVAUHNA-JLLWLGSASA-N 2 2 253.346 -0.426 20 0 CBADLP C[NH2+]CCCC(=O)N1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000373086556 353725748 /nfs/dbraw/zinc/72/57/48/353725748.db2.gz DPURHWNRZQRYCG-ZDUSSCGKSA-N 2 2 296.415 -0.201 20 0 CBADLP [NH3+]C1(C(=O)N2CC[NH+]([C@H]3CCCCNC3=O)CC2)CC1 ZINC000373086560 353725752 /nfs/dbraw/zinc/72/57/52/353725752.db2.gz DRQPTXHUBUVXMW-NSHDSACASA-N 2 2 280.372 -0.709 20 0 CBADLP C[C@H]1[NH2+]CCN(C(=O)c2n[nH]c3c2C[NH2+]CC3)[C@@H]1C ZINC000373071434 353725814 /nfs/dbraw/zinc/72/58/14/353725814.db2.gz SGKMWRZSSQYVSL-RKDXNWHRSA-N 2 2 263.345 -0.122 20 0 CBADLP OC(C[NH+]1C[C@H](O)C2(CC2)C1)C[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000373180305 353727633 /nfs/dbraw/zinc/72/76/33/353727633.db2.gz OCIHQMQEBSQRSV-STQMWFEESA-N 2 2 282.384 -0.739 20 0 CBADLP OC(C[NH+]1C[C@@H](O)C2(CC2)C1)C[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000373180302 353727944 /nfs/dbraw/zinc/72/79/44/353727944.db2.gz OCIHQMQEBSQRSV-CHWSQXEVSA-N 2 2 282.384 -0.739 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CCC(N2CC[N@H+](C)CC2=O)CC1 ZINC000374730654 353748456 /nfs/dbraw/zinc/74/84/56/353748456.db2.gz IGKINMUSPMVFRC-JTQLQIEISA-N 2 2 268.361 -0.901 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CCC(N2CC[N@@H+](C)CC2=O)CC1 ZINC000374730654 353748459 /nfs/dbraw/zinc/74/84/59/353748459.db2.gz IGKINMUSPMVFRC-JTQLQIEISA-N 2 2 268.361 -0.901 20 0 CBADLP C[C@H]1CCOCC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000374992121 353751702 /nfs/dbraw/zinc/75/17/02/353751702.db2.gz VMBVNPXSXCGBRS-LBPRGKRZSA-N 2 2 255.362 -0.129 20 0 CBADLP C[C@H]1CCOCC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000374992121 353751704 /nfs/dbraw/zinc/75/17/04/353751704.db2.gz VMBVNPXSXCGBRS-LBPRGKRZSA-N 2 2 255.362 -0.129 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@H]3CCOC(=O)[C@H]32)CC1 ZINC000375888822 353768821 /nfs/dbraw/zinc/76/88/21/353768821.db2.gz IBNSBNOZCPOOEN-JSGCOSHPSA-N 2 2 295.383 -0.212 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@H]3CCOC(=O)[C@H]32)CC1 ZINC000375888822 353768823 /nfs/dbraw/zinc/76/88/23/353768823.db2.gz IBNSBNOZCPOOEN-JSGCOSHPSA-N 2 2 295.383 -0.212 20 0 CBADLP CNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000377295887 353777737 /nfs/dbraw/zinc/77/77/37/353777737.db2.gz BYDSOLUUIMZFTR-SNVBAGLBSA-N 2 2 256.350 -0.142 20 0 CBADLP CNC(=O)NC(=O)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000377295887 353777739 /nfs/dbraw/zinc/77/77/39/353777739.db2.gz BYDSOLUUIMZFTR-SNVBAGLBSA-N 2 2 256.350 -0.142 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3CC[NH2+]C3)C2)CC1 ZINC000377198686 353777816 /nfs/dbraw/zinc/77/78/16/353777816.db2.gz QSTOEYNNHUCFLB-OLZOCXBDSA-N 3 2 280.416 -0.119 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3CC[NH2+]C3)C2)CC1 ZINC000377198686 353777821 /nfs/dbraw/zinc/77/78/21/353777821.db2.gz QSTOEYNNHUCFLB-OLZOCXBDSA-N 3 2 280.416 -0.119 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](O)CC1 ZINC000378675275 353781690 /nfs/dbraw/zinc/78/16/90/353781690.db2.gz OFOURAHJSCOMAH-CHWSQXEVSA-N 2 2 260.378 -0.228 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](O)CC1 ZINC000378675275 353781693 /nfs/dbraw/zinc/78/16/93/353781693.db2.gz OFOURAHJSCOMAH-CHWSQXEVSA-N 2 2 260.378 -0.228 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](O)CC1 ZINC000378675275 353781694 /nfs/dbraw/zinc/78/16/94/353781694.db2.gz OFOURAHJSCOMAH-CHWSQXEVSA-N 2 2 260.378 -0.228 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](O)CC1 ZINC000378675275 353781697 /nfs/dbraw/zinc/78/16/97/353781697.db2.gz OFOURAHJSCOMAH-CHWSQXEVSA-N 2 2 260.378 -0.228 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(CC(N)=O)CC1 ZINC000380730506 353783113 /nfs/dbraw/zinc/78/31/13/353783113.db2.gz RVLQRVODLWBQSG-CYBMUJFWSA-N 2 2 287.404 -0.487 20 0 CBADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000407949454 353810159 /nfs/dbraw/zinc/81/01/59/353810159.db2.gz JFUXKLYAVDSLIA-WDEREUQCSA-N 2 2 261.391 -0.167 20 0 CBADLP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000407949454 353810161 /nfs/dbraw/zinc/81/01/61/353810161.db2.gz JFUXKLYAVDSLIA-WDEREUQCSA-N 2 2 261.391 -0.167 20 0 CBADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000407949454 353810163 /nfs/dbraw/zinc/81/01/63/353810163.db2.gz JFUXKLYAVDSLIA-WDEREUQCSA-N 2 2 261.391 -0.167 20 0 CBADLP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000407949454 353810165 /nfs/dbraw/zinc/81/01/65/353810165.db2.gz JFUXKLYAVDSLIA-WDEREUQCSA-N 2 2 261.391 -0.167 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](O)C(C)(C)C1 ZINC000387842031 353789011 /nfs/dbraw/zinc/78/90/11/353789011.db2.gz GHRPWXGZBCQGEY-RYUDHWBXSA-N 2 2 260.378 -0.372 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](O)C(C)(C)C1 ZINC000387842031 353789012 /nfs/dbraw/zinc/78/90/12/353789012.db2.gz GHRPWXGZBCQGEY-RYUDHWBXSA-N 2 2 260.378 -0.372 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000387842031 353789013 /nfs/dbraw/zinc/78/90/13/353789013.db2.gz GHRPWXGZBCQGEY-RYUDHWBXSA-N 2 2 260.378 -0.372 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](O)C(C)(C)C1 ZINC000387842031 353789014 /nfs/dbraw/zinc/78/90/14/353789014.db2.gz GHRPWXGZBCQGEY-RYUDHWBXSA-N 2 2 260.378 -0.372 20 0 CBADLP C[C@H](C(=O)N1CC[N@H+](CCO)[C@H](C)C1)N1CC[NH+](C)CC1 ZINC000408376615 353907525 /nfs/dbraw/zinc/90/75/25/353907525.db2.gz NULAWWXZUIEVKU-ZIAGYGMSSA-N 2 2 298.431 -0.853 20 0 CBADLP C[C@H](C(=O)N1CC[N@@H+](CCO)[C@H](C)C1)N1CC[NH+](C)CC1 ZINC000408376615 353907529 /nfs/dbraw/zinc/90/75/29/353907529.db2.gz NULAWWXZUIEVKU-ZIAGYGMSSA-N 2 2 298.431 -0.853 20 0 CBADLP C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000408422976 353914974 /nfs/dbraw/zinc/91/49/74/353914974.db2.gz VMOFKTZUFDGQCX-NEPJUHHUSA-N 2 2 278.356 -0.108 20 0 CBADLP C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000408422976 353914978 /nfs/dbraw/zinc/91/49/78/353914978.db2.gz VMOFKTZUFDGQCX-NEPJUHHUSA-N 2 2 278.356 -0.108 20 0 CBADLP CCCNC(=O)CCC[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000411165937 353939764 /nfs/dbraw/zinc/93/97/64/353939764.db2.gz QTYYGOCFOLQLHH-UHFFFAOYSA-N 2 2 298.431 -0.001 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@H](C[NH3+])C1CC1 ZINC000417023574 353974637 /nfs/dbraw/zinc/97/46/37/353974637.db2.gz JZRSHDKXRUAVJG-CMPLNLGQSA-N 2 2 270.377 -0.256 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NCC(C)(C)[NH3+] ZINC000417028323 353975637 /nfs/dbraw/zinc/97/56/37/353975637.db2.gz NPGADSJZUHIAMP-JTQLQIEISA-N 2 2 258.366 -0.256 20 0 CBADLP C[C@@H](C[NH3+])CNC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000417409811 353976612 /nfs/dbraw/zinc/97/66/12/353976612.db2.gz AEPZFCUPABYSPC-NSHDSACASA-N 2 2 272.393 -0.009 20 0 CBADLP C[C@@H](C[NH3+])CNC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000417409811 353976614 /nfs/dbraw/zinc/97/66/14/353976614.db2.gz AEPZFCUPABYSPC-NSHDSACASA-N 2 2 272.393 -0.009 20 0 CBADLP CC1(C)C[N@H+](CCNC(=O)N2CC[C@@H]([NH3+])C2)CCO1 ZINC000417431011 353978070 /nfs/dbraw/zinc/97/80/70/353978070.db2.gz ZAPWNWGJANTOQO-LLVKDONJSA-N 2 2 270.377 -0.160 20 0 CBADLP CC1(C)C[N@@H+](CCNC(=O)N2CC[C@@H]([NH3+])C2)CCO1 ZINC000417431011 353978071 /nfs/dbraw/zinc/97/80/71/353978071.db2.gz ZAPWNWGJANTOQO-LLVKDONJSA-N 2 2 270.377 -0.160 20 0 CBADLP C[C@@H]1CN(C(=O)NCC[N@@H+]2CCOC[C@H]2C)CC[NH2+]1 ZINC000417514318 353978863 /nfs/dbraw/zinc/97/88/63/353978863.db2.gz JFJHADLULMRZGC-VXGBXAGGSA-N 2 2 270.377 -0.290 20 0 CBADLP C[C@@H]1CN(C(=O)NCC[N@H+]2CCOC[C@H]2C)CC[NH2+]1 ZINC000417514318 353978866 /nfs/dbraw/zinc/97/88/66/353978866.db2.gz JFJHADLULMRZGC-VXGBXAGGSA-N 2 2 270.377 -0.290 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N[C@H](CC[NH3+])C(F)F ZINC000417500406 353978908 /nfs/dbraw/zinc/97/89/08/353978908.db2.gz GCRPFFRTZCCHMP-VHSXEESVSA-N 2 2 294.346 -0.011 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)N[C@H](CC[NH3+])C(F)F ZINC000417500406 353978910 /nfs/dbraw/zinc/97/89/10/353978910.db2.gz GCRPFFRTZCCHMP-VHSXEESVSA-N 2 2 294.346 -0.011 20 0 CBADLP CC1(C)COCC[N@@H+]1CCNC(=O)NCC(F)(F)C[NH3+] ZINC000417504170 353978920 /nfs/dbraw/zinc/97/89/20/353978920.db2.gz LPVPHJPGXIEAGA-UHFFFAOYSA-N 2 2 294.346 -0.010 20 0 CBADLP CC1(C)COCC[N@H+]1CCNC(=O)NCC(F)(F)C[NH3+] ZINC000417504170 353978922 /nfs/dbraw/zinc/97/89/22/353978922.db2.gz LPVPHJPGXIEAGA-UHFFFAOYSA-N 2 2 294.346 -0.010 20 0 CBADLP CC[NH2+]CCNC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000418207774 353988595 /nfs/dbraw/zinc/98/85/95/353988595.db2.gz IHWKIDFSHNCDJY-LBPRGKRZSA-N 2 2 270.377 -0.242 20 0 CBADLP CC[NH2+]CCNC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000418207774 353988599 /nfs/dbraw/zinc/98/85/99/353988599.db2.gz IHWKIDFSHNCDJY-LBPRGKRZSA-N 2 2 270.377 -0.242 20 0 CBADLP CC[C@@H]1C[N@H+](CCNC(=O)NCCC[NH3+])CCO1 ZINC000418350001 353993809 /nfs/dbraw/zinc/99/38/09/353993809.db2.gz KSITUWNWCTXWHM-LLVKDONJSA-N 2 2 258.366 -0.255 20 0 CBADLP CC[C@@H]1C[N@@H+](CCNC(=O)NCCC[NH3+])CCO1 ZINC000418350001 353993810 /nfs/dbraw/zinc/99/38/10/353993810.db2.gz KSITUWNWCTXWHM-LLVKDONJSA-N 2 2 258.366 -0.255 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000418371272 353995006 /nfs/dbraw/zinc/99/50/06/353995006.db2.gz POJVMSOMCIUDSS-LBPRGKRZSA-N 2 2 270.377 -0.288 20 0 CBADLP CC[C@@H](C(=O)N1CC[N@H+](CCO)C[C@@H]1C)[NH+](C)C ZINC000413865797 353959342 /nfs/dbraw/zinc/95/93/42/353959342.db2.gz SZDVWJKLMAJYBE-RYUDHWBXSA-N 2 2 257.378 -0.148 20 0 CBADLP CC[C@@H](C(=O)N1CC[N@@H+](CCO)C[C@@H]1C)[NH+](C)C ZINC000413865797 353959346 /nfs/dbraw/zinc/95/93/46/353959346.db2.gz SZDVWJKLMAJYBE-RYUDHWBXSA-N 2 2 257.378 -0.148 20 0 CBADLP COC(=O)[C@H]1CN(C(=O)Cn2cc[nH+]c2C)CC[N@H+](C)C1 ZINC000413898863 353959661 /nfs/dbraw/zinc/95/96/61/353959661.db2.gz XGYFZTZHFUTZTL-GFCCVEGCSA-N 2 2 294.355 -0.245 20 0 CBADLP COC(=O)[C@H]1CN(C(=O)Cn2cc[nH+]c2C)CC[N@@H+](C)C1 ZINC000413898863 353959663 /nfs/dbraw/zinc/95/96/63/353959663.db2.gz XGYFZTZHFUTZTL-GFCCVEGCSA-N 2 2 294.355 -0.245 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)NC(C)(C)C[NH+]2CCOCC2)C1 ZINC000413952656 353961696 /nfs/dbraw/zinc/96/16/96/353961696.db2.gz DTTRGCHCKVDTPK-ZDUSSCGKSA-N 2 2 299.415 -0.066 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)NC(C)(C)C[NH+]2CCOCC2)C1 ZINC000413952656 353961698 /nfs/dbraw/zinc/96/16/98/353961698.db2.gz DTTRGCHCKVDTPK-ZDUSSCGKSA-N 2 2 299.415 -0.066 20 0 CBADLP CC(C)C[C@H]([NH3+])CN(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000414713660 353963360 /nfs/dbraw/zinc/96/33/60/353963360.db2.gz VDBGQEBGSRSDFY-KBPBESRZSA-N 2 2 273.421 -0.015 20 0 CBADLP CC(C)C[C@H]([NH3+])C[N@H+](C)C[C@H](O)CN1CCOCC1 ZINC000414713660 353963362 /nfs/dbraw/zinc/96/33/62/353963362.db2.gz VDBGQEBGSRSDFY-KBPBESRZSA-N 2 2 273.421 -0.015 20 0 CBADLP CC(C)C[C@H]([NH3+])C[N@@H+](C)C[C@H](O)CN1CCOCC1 ZINC000414713660 353963364 /nfs/dbraw/zinc/96/33/64/353963364.db2.gz VDBGQEBGSRSDFY-KBPBESRZSA-N 2 2 273.421 -0.015 20 0 CBADLP C[C@H](C[NH3+])CNC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000418495610 353999201 /nfs/dbraw/zinc/99/92/01/353999201.db2.gz UOTRKTBFLSEJGV-UTUOFQBUSA-N 2 2 270.377 -0.256 20 0 CBADLP C[C@H](C[NH3+])CNC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000418495610 353999204 /nfs/dbraw/zinc/99/92/04/353999204.db2.gz UOTRKTBFLSEJGV-UTUOFQBUSA-N 2 2 270.377 -0.256 20 0 CBADLP CC[C@H]1C[N@H+](CCNC(=O)NCC(F)(F)C[NH3+])CCO1 ZINC000418526138 354001631 /nfs/dbraw/zinc/00/16/31/354001631.db2.gz QKRBQLZLQDNMCV-JTQLQIEISA-N 2 2 294.346 -0.010 20 0 CBADLP CC[C@H]1C[N@@H+](CCNC(=O)NCC(F)(F)C[NH3+])CCO1 ZINC000418526138 354001633 /nfs/dbraw/zinc/00/16/33/354001633.db2.gz QKRBQLZLQDNMCV-JTQLQIEISA-N 2 2 294.346 -0.010 20 0 CBADLP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCc1[nH+]ccn1C ZINC000419660405 354068099 /nfs/dbraw/zinc/06/80/99/354068099.db2.gz KZKWQAFYTUGHRF-NSHDSACASA-N 2 2 293.371 -0.363 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000419681105 354069112 /nfs/dbraw/zinc/06/91/12/354069112.db2.gz IBEPIUYHMICZJR-UTUOFQBUSA-N 2 2 293.371 -0.403 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000419685065 354069146 /nfs/dbraw/zinc/06/91/46/354069146.db2.gz MPPZUTZBKRNPIP-IJLUTSLNSA-N 2 2 293.371 -0.403 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000419685070 354069233 /nfs/dbraw/zinc/06/92/33/354069233.db2.gz MPPZUTZBKRNPIP-WOPDTQHZSA-N 2 2 293.371 -0.403 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000419886949 354090097 /nfs/dbraw/zinc/09/00/97/354090097.db2.gz KVPATIGMMHHUSJ-CHWSQXEVSA-N 2 2 296.415 -0.345 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000419974221 354098923 /nfs/dbraw/zinc/09/89/23/354098923.db2.gz JCOITOFCSUHZKZ-ZDUSSCGKSA-N 2 2 296.415 -0.344 20 0 CBADLP C[C@H](CC[NH3+])NC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000419991848 354100078 /nfs/dbraw/zinc/10/00/78/354100078.db2.gz IXSCRTHJCBSKLF-SNVBAGLBSA-N 2 2 268.361 -0.854 20 0 CBADLP COC(=O)CCNC(=O)C[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000420282958 354121877 /nfs/dbraw/zinc/12/18/77/354121877.db2.gz BMAXJQYBZGSTIS-NSHDSACASA-N 2 2 273.377 -0.029 20 0 CBADLP COC(=O)CCNC(=O)C[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000420282958 354121878 /nfs/dbraw/zinc/12/18/78/354121878.db2.gz BMAXJQYBZGSTIS-NSHDSACASA-N 2 2 273.377 -0.029 20 0 CBADLP COC(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000420298098 354121910 /nfs/dbraw/zinc/12/19/10/354121910.db2.gz RSHGXPRTRKZGAH-LLVKDONJSA-N 2 2 269.345 -0.697 20 0 CBADLP COC(=O)C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000420298098 354121911 /nfs/dbraw/zinc/12/19/11/354121911.db2.gz RSHGXPRTRKZGAH-LLVKDONJSA-N 2 2 269.345 -0.697 20 0 CBADLP CNS(=O)(=O)CCC[N@@H+]1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000420328762 354122685 /nfs/dbraw/zinc/12/26/85/354122685.db2.gz FRCKSVIMNYOQDW-GHMZBOCLSA-N 2 2 263.407 -0.015 20 0 CBADLP CNS(=O)(=O)CCC[N@H+]1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000420328762 354122690 /nfs/dbraw/zinc/12/26/90/354122690.db2.gz FRCKSVIMNYOQDW-GHMZBOCLSA-N 2 2 263.407 -0.015 20 0 CBADLP CCOC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000420311656 354122910 /nfs/dbraw/zinc/12/29/10/354122910.db2.gz NZYVZXBHVXSFEC-LLVKDONJSA-N 2 2 271.361 -0.131 20 0 CBADLP CCOC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000420311656 354122913 /nfs/dbraw/zinc/12/29/13/354122913.db2.gz NZYVZXBHVXSFEC-LLVKDONJSA-N 2 2 271.361 -0.131 20 0 CBADLP C[N@H+](CCC(=O)N1CC[NH2+]CC1)C1(C[NH3+])CCC1 ZINC000420336009 354124159 /nfs/dbraw/zinc/12/41/59/354124159.db2.gz VIBQZKAEKSRXJP-UHFFFAOYSA-N 3 2 254.378 -0.379 20 0 CBADLP C[N@@H+](CCC(=O)N1CC[NH2+]CC1)C1(C[NH3+])CCC1 ZINC000420336009 354124162 /nfs/dbraw/zinc/12/41/62/354124162.db2.gz VIBQZKAEKSRXJP-UHFFFAOYSA-N 3 2 254.378 -0.379 20 0 CBADLP CCOC(=O)C[N@H+](CCN1CC[NH2+]CC1)C1CC1 ZINC000420352932 354125930 /nfs/dbraw/zinc/12/59/30/354125930.db2.gz BABOKEBRMUZXLJ-UHFFFAOYSA-N 2 2 255.362 -0.081 20 0 CBADLP CCOC(=O)C[N@@H+](CCN1CC[NH2+]CC1)C1CC1 ZINC000420352932 354125934 /nfs/dbraw/zinc/12/59/34/354125934.db2.gz BABOKEBRMUZXLJ-UHFFFAOYSA-N 2 2 255.362 -0.081 20 0 CBADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CC(=O)NC(=O)NC1CC1 ZINC000420372247 354126908 /nfs/dbraw/zinc/12/69/08/354126908.db2.gz QDPWAVZTKYSLTP-VDDIYKPWSA-N 2 2 268.361 -0.049 20 0 CBADLP C[NH2+]CCC[N@H+](C)[C@H](C)C(=O)NC(=O)NC1CC1 ZINC000420384626 354126944 /nfs/dbraw/zinc/12/69/44/354126944.db2.gz DTBDWMVGFHGTGQ-SECBINFHSA-N 2 2 256.350 -0.096 20 0 CBADLP C[NH2+]CCC[N@@H+](C)[C@H](C)C(=O)NC(=O)NC1CC1 ZINC000420384626 354126949 /nfs/dbraw/zinc/12/69/49/354126949.db2.gz DTBDWMVGFHGTGQ-SECBINFHSA-N 2 2 256.350 -0.096 20 0 CBADLP CCOCC[NH+]1CCN(C(=O)[C@]2(COC)CC[NH2+]C2)CC1 ZINC000423325608 354168414 /nfs/dbraw/zinc/16/84/14/354168414.db2.gz QHYCZSOKOIWUHI-OAHLLOKOSA-N 2 2 299.415 -0.207 20 0 CBADLP COC(=O)C[C@H]([NH3+])C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000423326356 354168653 /nfs/dbraw/zinc/16/86/53/354168653.db2.gz MRUIDKQHFSAHKU-NSHDSACASA-N 2 2 269.345 -0.569 20 0 CBADLP C[C@@H](CNC(=O)[C@H]([NH3+])C1CCC1)[NH+]1CCOCC1 ZINC000423332763 354169525 /nfs/dbraw/zinc/16/95/25/354169525.db2.gz RCKNVEVARVMURS-CMPLNLGQSA-N 2 2 255.362 -0.049 20 0 CBADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000423363154 354172304 /nfs/dbraw/zinc/17/23/04/354172304.db2.gz NODRFJGFGHOQIH-NNYUYHANSA-N 2 2 255.362 -0.132 20 0 CBADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[NH2+][C@H](C)C2)C[C@@H]1C ZINC000423365419 354172789 /nfs/dbraw/zinc/17/27/89/354172789.db2.gz BFGZIYWVQLZRFH-AGIUHOORSA-N 2 2 296.415 -0.252 20 0 CBADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[NH2+][C@H](C)C2)C[C@@H]1C ZINC000423365419 354172790 /nfs/dbraw/zinc/17/27/90/354172790.db2.gz BFGZIYWVQLZRFH-AGIUHOORSA-N 2 2 296.415 -0.252 20 0 CBADLP COCC[N@@H+]1CCN(C(=O)[C@@H]([NH3+])CC(=O)OC)C[C@H]1C ZINC000423379063 354173263 /nfs/dbraw/zinc/17/32/63/354173263.db2.gz GHDAAQXBVRUOOG-MNOVXSKESA-N 2 2 287.360 -0.944 20 0 CBADLP COCC[N@H+]1CCN(C(=O)[C@@H]([NH3+])CC(=O)OC)C[C@H]1C ZINC000423379063 354173265 /nfs/dbraw/zinc/17/32/65/354173265.db2.gz GHDAAQXBVRUOOG-MNOVXSKESA-N 2 2 287.360 -0.944 20 0 CBADLP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N2CC[NH2+]CC2)C[C@H]1C ZINC000423383778 354173390 /nfs/dbraw/zinc/17/33/90/354173390.db2.gz KRYAGTDNIHWNQJ-VXGBXAGGSA-N 2 2 282.388 -0.641 20 0 CBADLP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N2CC[NH2+]CC2)C[C@H]1C ZINC000423383778 354173393 /nfs/dbraw/zinc/17/33/93/354173393.db2.gz KRYAGTDNIHWNQJ-VXGBXAGGSA-N 2 2 282.388 -0.641 20 0 CBADLP COCC[N@@H+]1CCN(C(=O)[C@@H]([NH3+])CC(=O)OC)C[C@@H]1C ZINC000423379064 354173851 /nfs/dbraw/zinc/17/38/51/354173851.db2.gz GHDAAQXBVRUOOG-QWRGUYRKSA-N 2 2 287.360 -0.944 20 0 CBADLP COCC[N@H+]1CCN(C(=O)[C@@H]([NH3+])CC(=O)OC)C[C@@H]1C ZINC000423379064 354173853 /nfs/dbraw/zinc/17/38/53/354173853.db2.gz GHDAAQXBVRUOOG-QWRGUYRKSA-N 2 2 287.360 -0.944 20 0 CBADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NC[C@]1(COC)CCC[NH2+]1 ZINC000423415746 354175722 /nfs/dbraw/zinc/17/57/22/354175722.db2.gz PIQLKNGRDGOITC-SCRDCRAPSA-N 2 2 285.388 -0.362 20 0 CBADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NC[C@]1(COC)CCC[NH2+]1 ZINC000423415736 354175830 /nfs/dbraw/zinc/17/58/30/354175830.db2.gz PIQLKNGRDGOITC-BZPMIXESSA-N 2 2 285.388 -0.362 20 0 CBADLP O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)C1C[NH2+]C1 ZINC000263290542 303799304 /nfs/dbraw/zinc/79/93/04/303799304.db2.gz LJDRXVPGDOTWDA-ZDUSSCGKSA-N 2 2 285.413 -0.470 20 0 CBADLP [NH3+]CCCNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000422711908 354151971 /nfs/dbraw/zinc/15/19/71/354151971.db2.gz NMSTXWCBTKFACO-LBPRGKRZSA-N 2 2 255.362 -0.048 20 0 CBADLP [NH3+]CCCNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000422711908 354151973 /nfs/dbraw/zinc/15/19/73/354151973.db2.gz NMSTXWCBTKFACO-LBPRGKRZSA-N 2 2 255.362 -0.048 20 0 CBADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N[C@H]1CC[NH2+]C1 ZINC000422748539 354152174 /nfs/dbraw/zinc/15/21/74/354152174.db2.gz UYYUMOMKIUPOCY-NWDGAFQWSA-N 2 2 255.362 -0.035 20 0 CBADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N[C@H]1CC[NH2+]C1 ZINC000422748539 354152175 /nfs/dbraw/zinc/15/21/75/354152175.db2.gz UYYUMOMKIUPOCY-NWDGAFQWSA-N 2 2 255.362 -0.035 20 0 CBADLP C[NH2+]CCNC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000422782896 354154868 /nfs/dbraw/zinc/15/48/68/354154868.db2.gz NQPBRFMWVKNZAV-GFCCVEGCSA-N 2 2 255.362 -0.177 20 0 CBADLP C[NH2+]CCNC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000422782896 354154870 /nfs/dbraw/zinc/15/48/70/354154870.db2.gz NQPBRFMWVKNZAV-GFCCVEGCSA-N 2 2 255.362 -0.177 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N(C)CC(C)(C)C[NH3+])CC1 ZINC000422975823 354158665 /nfs/dbraw/zinc/15/86/65/354158665.db2.gz HMJYGVLLGQCBHU-UHFFFAOYSA-N 2 2 284.404 -0.406 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)CC1 ZINC000422978903 354159340 /nfs/dbraw/zinc/15/93/40/354159340.db2.gz KWIAEHGTRHOVEJ-RYUDHWBXSA-N 2 2 282.388 -0.641 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2CCC(C[NH2+]C)CC2)CC1 ZINC000422980792 354159729 /nfs/dbraw/zinc/15/97/29/354159729.db2.gz RDWFXXGVKLUVIW-UHFFFAOYSA-N 2 2 296.415 -0.392 20 0 CBADLP O=C(NCC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)c1ccn[nH]1 ZINC000423044679 354160329 /nfs/dbraw/zinc/16/03/29/354160329.db2.gz REZLSTWNOOGQIG-CHWSQXEVSA-N 2 2 293.371 -0.504 20 0 CBADLP C[C@H](C[NH3+])NC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000423536233 354179818 /nfs/dbraw/zinc/17/98/18/354179818.db2.gz HEDGEEZWYSWTOA-ZYHUDNBSSA-N 2 2 255.362 -0.049 20 0 CBADLP C[C@H](C[NH3+])NC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000423536233 354179822 /nfs/dbraw/zinc/17/98/22/354179822.db2.gz HEDGEEZWYSWTOA-ZYHUDNBSSA-N 2 2 255.362 -0.049 20 0 CBADLP CCCN(C(=O)C(=O)N1CC[NH+](C)CC1)[C@@H]1CC[NH2+]C1 ZINC000423660651 354189900 /nfs/dbraw/zinc/18/99/00/354189900.db2.gz KLOXXIUTHFXMEW-GFCCVEGCSA-N 2 2 282.388 -0.639 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)CC1 ZINC000423667685 354190239 /nfs/dbraw/zinc/19/02/39/354190239.db2.gz JJEPADHDAHYNLN-NWDGAFQWSA-N 2 2 282.388 -0.654 20 0 CBADLP C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](C)CC2)C[C@H]1C[NH3+] ZINC000423708900 354193368 /nfs/dbraw/zinc/19/33/68/354193368.db2.gz NHGVZTFOHXDLFS-VXGBXAGGSA-N 2 2 282.388 -0.796 20 0 CBADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCCC[NH2+]2)CC1 ZINC000423734444 354194852 /nfs/dbraw/zinc/19/48/52/354194852.db2.gz VZVCUMQMGHWLTM-CYBMUJFWSA-N 2 2 296.415 -0.201 20 0 CBADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCCC[NH2+]2)CC1 ZINC000423734444 354194856 /nfs/dbraw/zinc/19/48/56/354194856.db2.gz VZVCUMQMGHWLTM-CYBMUJFWSA-N 2 2 296.415 -0.201 20 0 CBADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCCC[NH2+]2)CC1 ZINC000423734447 354195207 /nfs/dbraw/zinc/19/52/07/354195207.db2.gz VZVCUMQMGHWLTM-ZDUSSCGKSA-N 2 2 296.415 -0.201 20 0 CBADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCCC[NH2+]2)CC1 ZINC000423734447 354195208 /nfs/dbraw/zinc/19/52/08/354195208.db2.gz VZVCUMQMGHWLTM-ZDUSSCGKSA-N 2 2 296.415 -0.201 20 0 CBADLP C[N@@H+]1CCO[C@H](CNC(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)C1 ZINC000423746154 354195887 /nfs/dbraw/zinc/19/58/87/354195887.db2.gz NIKYSGFQKXAKNB-YRGRVCCFSA-N 2 2 267.373 -0.177 20 0 CBADLP C[N@H+]1CCO[C@H](CNC(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)C1 ZINC000423746154 354195890 /nfs/dbraw/zinc/19/58/90/354195890.db2.gz NIKYSGFQKXAKNB-YRGRVCCFSA-N 2 2 267.373 -0.177 20 0 CBADLP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](CC)CC1 ZINC000423743746 354196066 /nfs/dbraw/zinc/19/60/66/354196066.db2.gz MBGGUISALYTZAG-CYBMUJFWSA-N 2 2 296.415 -0.249 20 0 CBADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)[C@@H]2C[NH2+]CCO2)C[C@H](C)O1 ZINC000423768513 354199204 /nfs/dbraw/zinc/19/92/04/354199204.db2.gz YKRJFRBTQADRBX-XQQFMLRXSA-N 2 2 285.388 -0.458 20 0 CBADLP C[C@@H]1C[N@H+](CCN(C)C(=O)[C@@H]2C[NH2+]CCO2)C[C@H](C)O1 ZINC000423768513 354199206 /nfs/dbraw/zinc/19/92/06/354199206.db2.gz YKRJFRBTQADRBX-XQQFMLRXSA-N 2 2 285.388 -0.458 20 0 CBADLP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@H]1COCC[NH2+]1 ZINC000423804432 354200732 /nfs/dbraw/zinc/20/07/32/354200732.db2.gz XVTIBVWJKNZWOS-CYBMUJFWSA-N 2 2 299.415 -0.208 20 0 CBADLP C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000423864045 354201536 /nfs/dbraw/zinc/20/15/36/354201536.db2.gz ISABRKLGZACNKH-KBPBESRZSA-N 2 2 297.399 -0.456 20 0 CBADLP C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000423864045 354201539 /nfs/dbraw/zinc/20/15/39/354201539.db2.gz ISABRKLGZACNKH-KBPBESRZSA-N 2 2 297.399 -0.456 20 0 CBADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H]2CC[NH2+]2)[C@@H](C)C1 ZINC000423864156 354203373 /nfs/dbraw/zinc/20/33/73/354203373.db2.gz XZUIQYXOWCXKAB-WDEREUQCSA-N 2 2 269.345 -0.556 20 0 CBADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@H]2CC[NH2+]2)[C@@H](C)C1 ZINC000423864156 354203375 /nfs/dbraw/zinc/20/33/75/354203375.db2.gz XZUIQYXOWCXKAB-WDEREUQCSA-N 2 2 269.345 -0.556 20 0 CBADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H]2CCC[NH2+]2)C[C@H]1C ZINC000423903413 354205387 /nfs/dbraw/zinc/20/53/87/354205387.db2.gz WPEBJHSOBTVIEL-NEPJUHHUSA-N 2 2 283.372 -0.166 20 0 CBADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H]2CCC[NH2+]2)C[C@H]1C ZINC000423903413 354205389 /nfs/dbraw/zinc/20/53/89/354205389.db2.gz WPEBJHSOBTVIEL-NEPJUHHUSA-N 2 2 283.372 -0.166 20 0 CBADLP CO[C@@H](C[NH3+])CC(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424198337 354217996 /nfs/dbraw/zinc/21/79/96/354217996.db2.gz XVLZBFCDMCWVRL-RKDXNWHRSA-N 2 2 265.304 -0.289 20 0 CBADLP Cc1nc(N2CCN(C(=O)[C@H]3C[NH2+]CCO3)CC2)cc[nH+]1 ZINC000424171040 354214028 /nfs/dbraw/zinc/21/40/28/354214028.db2.gz IROWHUPZHUCFTB-GFCCVEGCSA-N 2 2 291.355 -0.578 20 0 CBADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)NCC[N@@H+]1CCCOCC1 ZINC000424172627 354214355 /nfs/dbraw/zinc/21/43/55/354214355.db2.gz NLDUKGJYAOCHRP-NEPJUHHUSA-N 2 2 271.361 -0.798 20 0 CBADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)NCC[N@H+]1CCCOCC1 ZINC000424172627 354214358 /nfs/dbraw/zinc/21/43/58/354214358.db2.gz NLDUKGJYAOCHRP-NEPJUHHUSA-N 2 2 271.361 -0.798 20 0 CBADLP CO[C@H](C[NH3+])C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424197132 354218321 /nfs/dbraw/zinc/21/83/21/354218321.db2.gz WHADAUVOQSSFDB-JGVFFNPUSA-N 2 2 251.277 -0.679 20 0 CBADLP Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)[C@@H]2C[C@@H]2[NH3+])cn1 ZINC000424183274 354216459 /nfs/dbraw/zinc/21/64/59/354216459.db2.gz BGYWVAPZCCXRRQ-RVMXOQNASA-N 2 2 295.362 -0.204 20 0 CBADLP Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)[C@@H]2C[C@@H]2[NH3+])cn1 ZINC000424183274 354216461 /nfs/dbraw/zinc/21/64/61/354216461.db2.gz BGYWVAPZCCXRRQ-RVMXOQNASA-N 2 2 295.362 -0.204 20 0 CBADLP Cc1nc(N2CCN(C(=O)[C@@H]3COCC[NH2+]3)CC2)cc[nH+]1 ZINC000424184978 354216474 /nfs/dbraw/zinc/21/64/74/354216474.db2.gz YTYMMVXQEIIFKF-LBPRGKRZSA-N 2 2 291.355 -0.578 20 0 CBADLP C[NH2+]C[C@H]1CCCN1C(=O)[C@H](C)[NH+]1CCOCC1 ZINC000429493187 354247975 /nfs/dbraw/zinc/24/79/75/354247975.db2.gz HBZRVZYZVQVPHF-NWDGAFQWSA-N 2 2 255.362 -0.083 20 0 CBADLP CNS(=O)(=O)CCC[N@@H+]1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000430586639 354250636 /nfs/dbraw/zinc/25/06/36/354250636.db2.gz WQHPPBBMAWXZSJ-GHMZBOCLSA-N 2 2 263.407 -0.015 20 0 CBADLP CNS(=O)(=O)CCC[N@H+]1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000430586639 354250638 /nfs/dbraw/zinc/25/06/38/354250638.db2.gz WQHPPBBMAWXZSJ-GHMZBOCLSA-N 2 2 263.407 -0.015 20 0 CBADLP C[NH2+]CCC[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000435885333 354255298 /nfs/dbraw/zinc/25/52/98/354255298.db2.gz IRLNKXGSXVZJSD-GFCCVEGCSA-N 3 2 254.378 -0.508 20 0 CBADLP C[NH2+]CCC[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000435885333 354255300 /nfs/dbraw/zinc/25/53/00/354255300.db2.gz IRLNKXGSXVZJSD-GFCCVEGCSA-N 3 2 254.378 -0.508 20 0 CBADLP C[NH2+]CCC[N@@H+]1CCCC[C@@H]1CNS(C)(=O)=O ZINC000435873820 354255376 /nfs/dbraw/zinc/25/53/76/354255376.db2.gz XYBPOUDNQOMQFJ-LLVKDONJSA-N 2 2 263.407 0.000 20 0 CBADLP C[NH2+]CCC[N@H+]1CCCC[C@@H]1CNS(C)(=O)=O ZINC000435873820 354255377 /nfs/dbraw/zinc/25/53/77/354255377.db2.gz XYBPOUDNQOMQFJ-LLVKDONJSA-N 2 2 263.407 0.000 20 0 CBADLP C[C@@H](C(=O)NCC[C@H]1CCC[NH2+]1)[NH+]1CCOCC1 ZINC000444262888 354266777 /nfs/dbraw/zinc/26/67/77/354266777.db2.gz LNVOUFVRHUJZFC-NWDGAFQWSA-N 2 2 255.362 -0.035 20 0 CBADLP O=C([C@@H]1C[C@@]12CC[NH2+]C2)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000444169063 354262328 /nfs/dbraw/zinc/26/23/28/354262328.db2.gz JLHKALURWKJXDU-VNHYZAJKSA-N 2 2 279.384 -0.081 20 0 CBADLP O=C(NCc1ccc[nH+]c1N1CCOCC1)[C@H]1CC[NH2+]1 ZINC000444182269 354263585 /nfs/dbraw/zinc/26/35/85/354263585.db2.gz KTFWXTZHEZLUKC-GFCCVEGCSA-N 2 2 276.340 -0.104 20 0 CBADLP Cn1cc([C@@H]2CN(C(=O)[C@@H]3CC(F)(F)C[NH2+]3)C[C@H]2[NH3+])cn1 ZINC000424228083 354219955 /nfs/dbraw/zinc/21/99/55/354219955.db2.gz RXWMVUONFMWNCI-AXFHLTTASA-N 2 2 299.325 -0.330 20 0 CBADLP COC[C@@H](C)NC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424289212 354222706 /nfs/dbraw/zinc/22/27/06/354222706.db2.gz BQEUUVQFCAQZKA-GMTAPVOTSA-N 2 2 286.376 -0.293 20 0 CBADLP C[N@@H+]1CCO[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@@H]21 ZINC000366454784 283007645 /nfs/dbraw/zinc/00/76/45/283007645.db2.gz QPWVGSQJZJBTTK-HZSPNIEDSA-N 2 2 279.384 -0.130 20 0 CBADLP C[N@H+]1CCO[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@@H]21 ZINC000366454784 283007646 /nfs/dbraw/zinc/00/76/46/283007646.db2.gz QPWVGSQJZJBTTK-HZSPNIEDSA-N 2 2 279.384 -0.130 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000446366212 354286578 /nfs/dbraw/zinc/28/65/78/354286578.db2.gz GYZMSGRWSWIVKW-OUAUKWLOSA-N 2 2 259.325 -0.477 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000446366212 354286579 /nfs/dbraw/zinc/28/65/79/354286579.db2.gz GYZMSGRWSWIVKW-OUAUKWLOSA-N 2 2 259.325 -0.477 20 0 CBADLP C[N@@H+]1CC[C@@H]2CN(C(=O)NC[C@@H]3C[NH+](C)CCO3)C[C@@H]21 ZINC000454446808 354356378 /nfs/dbraw/zinc/35/63/78/354356378.db2.gz VBLURIXHKSFCGM-UPJWGTAASA-N 2 2 282.388 -0.338 20 0 CBADLP C[N@H+]1CC[C@@H]2CN(C(=O)NC[C@@H]3C[NH+](C)CCO3)C[C@@H]21 ZINC000454446808 354356381 /nfs/dbraw/zinc/35/63/81/354356381.db2.gz VBLURIXHKSFCGM-UPJWGTAASA-N 2 2 282.388 -0.338 20 0 CBADLP C[NH+]1CC[C@@H]2CN(C(=O)NC[C@@H]3C[N@H+](C)CCO3)C[C@@H]21 ZINC000454446808 354356384 /nfs/dbraw/zinc/35/63/84/354356384.db2.gz VBLURIXHKSFCGM-UPJWGTAASA-N 2 2 282.388 -0.338 20 0 CBADLP C[NH+]1CC[C@@H]2CN(C(=O)NC[C@@H]3C[N@@H+](C)CCO3)C[C@@H]21 ZINC000454446808 354356385 /nfs/dbraw/zinc/35/63/85/354356385.db2.gz VBLURIXHKSFCGM-UPJWGTAASA-N 2 2 282.388 -0.338 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@H](C)[NH2+]C2CC2)CC1 ZINC000449319742 354319470 /nfs/dbraw/zinc/31/94/70/354319470.db2.gz ZQCJXBNZLADNSS-NSHDSACASA-N 2 2 255.362 -0.083 20 0 CBADLP C[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C(C)(C)C1 ZINC000347345542 283018333 /nfs/dbraw/zinc/01/83/33/283018333.db2.gz YPRYJHCLWUVFQR-NSHDSACASA-N 2 2 255.362 -0.130 20 0 CBADLP C[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C(C)(C)C1 ZINC000347345542 283018337 /nfs/dbraw/zinc/01/83/37/283018337.db2.gz YPRYJHCLWUVFQR-NSHDSACASA-N 2 2 255.362 -0.130 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N2CC[N@H+](C)CC2(C)C)C1 ZINC000347345542 283018340 /nfs/dbraw/zinc/01/83/40/283018340.db2.gz YPRYJHCLWUVFQR-NSHDSACASA-N 2 2 255.362 -0.130 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N2CC[N@@H+](C)CC2(C)C)C1 ZINC000347345542 283018342 /nfs/dbraw/zinc/01/83/42/283018342.db2.gz YPRYJHCLWUVFQR-NSHDSACASA-N 2 2 255.362 -0.130 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC000172714948 283018821 /nfs/dbraw/zinc/01/88/21/283018821.db2.gz YVOWGBWPFITHSH-LBPRGKRZSA-N 2 2 253.346 -0.376 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC000172714948 283018823 /nfs/dbraw/zinc/01/88/23/283018823.db2.gz YVOWGBWPFITHSH-LBPRGKRZSA-N 2 2 253.346 -0.376 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)CC1 ZINC000459820858 354389764 /nfs/dbraw/zinc/38/97/64/354389764.db2.gz SLOSXLUGVIZNBA-QWHCGFSZSA-N 2 2 294.399 -0.687 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)CC1 ZINC000459820858 354389769 /nfs/dbraw/zinc/38/97/69/354389769.db2.gz SLOSXLUGVIZNBA-QWHCGFSZSA-N 2 2 294.399 -0.687 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000456219087 354362502 /nfs/dbraw/zinc/36/25/02/354362502.db2.gz UBFHWFZEVBGCAP-HZSPNIEDSA-N 2 2 297.399 -0.314 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000456219087 354362503 /nfs/dbraw/zinc/36/25/03/354362503.db2.gz UBFHWFZEVBGCAP-HZSPNIEDSA-N 2 2 297.399 -0.314 20 0 CBADLP CC[NH+]1CCO[C@@H](C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000456219087 354362504 /nfs/dbraw/zinc/36/25/04/354362504.db2.gz UBFHWFZEVBGCAP-HZSPNIEDSA-N 2 2 297.399 -0.314 20 0 CBADLP CC[NH+]1CCO[C@@H](C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000456219087 354362505 /nfs/dbraw/zinc/36/25/05/354362505.db2.gz UBFHWFZEVBGCAP-HZSPNIEDSA-N 2 2 297.399 -0.314 20 0 CBADLP C[C@@H]1CN(C(=O)NCCn2cc[nH+]c2)C[C@H](C)[N@H+]1CCO ZINC000457460090 354371601 /nfs/dbraw/zinc/37/16/01/354371601.db2.gz FRXBUUIWULYGKS-BETUJISGSA-N 2 2 295.387 -0.020 20 0 CBADLP C[C@@H]1CN(C(=O)NCCn2cc[nH+]c2)C[C@H](C)[N@@H+]1CCO ZINC000457460090 354371604 /nfs/dbraw/zinc/37/16/04/354371604.db2.gz FRXBUUIWULYGKS-BETUJISGSA-N 2 2 295.387 -0.020 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2C[C@@H](OC)[C@H](OC)C2)CC1 ZINC000488020844 354420686 /nfs/dbraw/zinc/42/06/86/354420686.db2.gz CHEFQNUBYNGQQR-BFHYXJOUSA-N 2 2 299.415 -0.115 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)/C=C/C[NH+](C)C)CCO1 ZINC000491869345 354460836 /nfs/dbraw/zinc/46/08/36/354460836.db2.gz NHZANNYWTPIJPS-ITKZLYELSA-N 2 2 255.362 -0.059 20 0 CBADLP CC[N@H+](CCO)CCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492768666 354480978 /nfs/dbraw/zinc/48/09/78/354480978.db2.gz OYLYRTPFQZNREU-ARJAWSKDSA-N 2 2 252.318 -0.147 20 0 CBADLP CC[N@@H+](CCO)CCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492768666 354480979 /nfs/dbraw/zinc/48/09/79/354480979.db2.gz OYLYRTPFQZNREU-ARJAWSKDSA-N 2 2 252.318 -0.147 20 0 CBADLP C[N@@H+]1CCN(C(=O)/C=C\c2cnccn2)[C@@H](C[NH3+])C1 ZINC000493107348 354488907 /nfs/dbraw/zinc/48/89/07/354488907.db2.gz PQHLALGWYNATLB-DLGQBQFBSA-N 2 2 261.329 -0.409 20 0 CBADLP C[N@H+]1CCN(C(=O)/C=C\c2cnccn2)[C@@H](C[NH3+])C1 ZINC000493107348 354488913 /nfs/dbraw/zinc/48/89/13/354488913.db2.gz PQHLALGWYNATLB-DLGQBQFBSA-N 2 2 261.329 -0.409 20 0 CBADLP C[C@](O)(CNC(=O)/C=C/c1[nH]cc[nH+]1)C[NH+]1CCOCC1 ZINC000493290321 354493561 /nfs/dbraw/zinc/49/35/61/354493561.db2.gz PPXFXAUGCZUJOG-HSWBROFVSA-N 2 2 294.355 -0.378 20 0 CBADLP CNc1[nH+]cnc2c1cnn2C[C@@H](O)C[N@@H+](C)CCOC ZINC000519424823 354561525 /nfs/dbraw/zinc/56/15/25/354561525.db2.gz BVPRPIAHBGTVMB-JTQLQIEISA-N 2 2 294.359 -0.193 20 0 CBADLP CC[NH+](CC)CCC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000519601124 354564326 /nfs/dbraw/zinc/56/43/26/354564326.db2.gz ZWQZHDNJLQBTRD-OAHLLOKOSA-N 3 2 286.464 -0.084 20 0 CBADLP CN1CC[N@H+](C)[C@@H](CNC(=O)N[C@H]2CC[NH2+]C23CCC3)C1 ZINC000529309003 354583537 /nfs/dbraw/zinc/58/35/37/354583537.db2.gz XIIWPVRNHUKBCT-STQMWFEESA-N 2 2 295.431 -0.184 20 0 CBADLP CN1CC[N@@H+](C)[C@@H](CNC(=O)N[C@H]2CC[NH2+]C23CCC3)C1 ZINC000529309003 354583539 /nfs/dbraw/zinc/58/35/39/354583539.db2.gz XIIWPVRNHUKBCT-STQMWFEESA-N 2 2 295.431 -0.184 20 0 CBADLP C[C@H]1C[N@H+](CCNc2cc[nH+]cc2C(N)=O)CCO1 ZINC000545160688 354644022 /nfs/dbraw/zinc/64/40/22/354644022.db2.gz YKIUQRARMHHYOJ-JTQLQIEISA-N 2 2 264.329 -0.265 20 0 CBADLP C[C@H]1C[N@@H+](CCNc2cc[nH+]cc2C(N)=O)CCO1 ZINC000545160688 354644024 /nfs/dbraw/zinc/64/40/24/354644024.db2.gz YKIUQRARMHHYOJ-JTQLQIEISA-N 2 2 264.329 -0.265 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNc1cc[nH+]cc1C(N)=O ZINC000545868637 354648967 /nfs/dbraw/zinc/64/89/67/354648967.db2.gz WAAHBSQISJSEIU-SNVBAGLBSA-N 2 2 264.329 -0.265 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNc1cc[nH+]cc1C(N)=O ZINC000545868637 354648968 /nfs/dbraw/zinc/64/89/68/354648968.db2.gz WAAHBSQISJSEIU-SNVBAGLBSA-N 2 2 264.329 -0.265 20 0 CBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cnnn1C ZINC000547394305 354659705 /nfs/dbraw/zinc/65/97/05/354659705.db2.gz OOMYDGGEFNMHLE-UHFFFAOYSA-N 2 2 294.403 -0.087 20 0 CBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cnnn1C ZINC000547394305 354659708 /nfs/dbraw/zinc/65/97/08/354659708.db2.gz OOMYDGGEFNMHLE-UHFFFAOYSA-N 2 2 294.403 -0.087 20 0 CBADLP CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000562637909 354687536 /nfs/dbraw/zinc/68/75/36/354687536.db2.gz CEIHKGFORLNAGY-CQSZACIVSA-N 2 2 298.431 -0.587 20 0 CBADLP CC[N@H+]1CCOC[C@@H]1C(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000562637909 354687540 /nfs/dbraw/zinc/68/75/40/354687540.db2.gz CEIHKGFORLNAGY-CQSZACIVSA-N 2 2 298.431 -0.587 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000562798871 354687833 /nfs/dbraw/zinc/68/78/33/354687833.db2.gz YGBDJLGYZOBAMX-MGPQQGTHSA-N 2 2 296.415 -0.042 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000562798871 354687834 /nfs/dbraw/zinc/68/78/34/354687834.db2.gz YGBDJLGYZOBAMX-MGPQQGTHSA-N 2 2 296.415 -0.042 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000562798869 354687993 /nfs/dbraw/zinc/68/79/93/354687993.db2.gz YGBDJLGYZOBAMX-MCIONIFRSA-N 2 2 296.415 -0.042 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000562798869 354687997 /nfs/dbraw/zinc/68/79/97/354687997.db2.gz YGBDJLGYZOBAMX-MCIONIFRSA-N 2 2 296.415 -0.042 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)c1cn(CCC[NH3+])nn1 ZINC000563074918 354694761 /nfs/dbraw/zinc/69/47/61/354694761.db2.gz UANJBDFXRHJBHR-NSHDSACASA-N 2 2 296.375 -0.923 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)c1cn(CCC[NH3+])nn1 ZINC000563074918 354694763 /nfs/dbraw/zinc/69/47/63/354694763.db2.gz UANJBDFXRHJBHR-NSHDSACASA-N 2 2 296.375 -0.923 20 0 CBADLP CO[C@@H](C[NH3+])C(=O)Nc1ccc(-c2n[nH]c(C[NH3+])n2)cc1 ZINC000563107605 354696595 /nfs/dbraw/zinc/69/65/95/354696595.db2.gz RUYJQDYWBWSUTQ-JTQLQIEISA-N 2 2 290.327 -0.157 20 0 CBADLP Cc1c(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cnn1C ZINC000563430405 354704682 /nfs/dbraw/zinc/70/46/82/354704682.db2.gz AZSDLXBHOHLDID-NWDGAFQWSA-N 2 2 263.345 -0.528 20 0 CBADLP Cc1c(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cnn1C ZINC000563430405 354704683 /nfs/dbraw/zinc/70/46/83/354704683.db2.gz AZSDLXBHOHLDID-NWDGAFQWSA-N 2 2 263.345 -0.528 20 0 CBADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1CCN(S(C)(=O)=O)C1 ZINC000563892204 354707172 /nfs/dbraw/zinc/70/71/72/354707172.db2.gz YOCPCUCVEXOSQA-OUAUKWLOSA-N 2 2 261.391 -0.392 20 0 CBADLP C[N@@H+]1CCN(C(=O)COC2CCC([NH3+])CC2)[C@H](C[NH3+])C1 ZINC000564798041 354717380 /nfs/dbraw/zinc/71/73/80/354717380.db2.gz QBSOSIRAJBPMAQ-OTTFEQOBSA-N 3 2 284.404 -0.626 20 0 CBADLP C[N@H+]1CCN(C(=O)COC2CCC([NH3+])CC2)[C@H](C[NH3+])C1 ZINC000564798041 354717381 /nfs/dbraw/zinc/71/73/81/354717381.db2.gz QBSOSIRAJBPMAQ-OTTFEQOBSA-N 3 2 284.404 -0.626 20 0 CBADLP C[C@@H]([NH2+]CC(=O)N1CC[NH2+]CC1)[C@@H]1CCCC[NH2+]1 ZINC000564822616 354717422 /nfs/dbraw/zinc/71/74/22/354717422.db2.gz OVIIFZCJBCPBMO-NEPJUHHUSA-N 3 2 254.378 -0.462 20 0 CBADLP CC[C@@H]([NH3+])C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000564924311 354720113 /nfs/dbraw/zinc/72/01/13/354720113.db2.gz QRIOPQJIEMUZER-SECBINFHSA-N 2 2 256.350 -0.868 20 0 CBADLP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000564922424 354720275 /nfs/dbraw/zinc/72/02/75/354720275.db2.gz HGSKGNPLGUNMQC-SDDRHHMPSA-N 2 2 255.362 -0.179 20 0 CBADLP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000564922424 354720278 /nfs/dbraw/zinc/72/02/78/354720278.db2.gz HGSKGNPLGUNMQC-SDDRHHMPSA-N 2 2 255.362 -0.179 20 0 CBADLP CC[C@@H](CO)[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000564979458 354723641 /nfs/dbraw/zinc/72/36/41/354723641.db2.gz SQDHOTWAENHOBD-RNJOBUHISA-N 2 2 260.378 -0.183 20 0 CBADLP CC[C@@H](CO)[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000564979458 354723644 /nfs/dbraw/zinc/72/36/44/354723644.db2.gz SQDHOTWAENHOBD-RNJOBUHISA-N 2 2 260.378 -0.183 20 0 CBADLP COC(=O)[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[N@H+](C)C1 ZINC000565096526 354728208 /nfs/dbraw/zinc/72/82/08/354728208.db2.gz TXCIWYQZYLNUJU-LLVKDONJSA-N 2 2 280.328 -0.554 20 0 CBADLP COC(=O)[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[N@@H+](C)C1 ZINC000565096526 354728211 /nfs/dbraw/zinc/72/82/11/354728211.db2.gz TXCIWYQZYLNUJU-LLVKDONJSA-N 2 2 280.328 -0.554 20 0 CBADLP C[NH2+]C[C@@](C)(O)C[N@H+](C)CC(=O)NCCCOC ZINC000565093449 354728312 /nfs/dbraw/zinc/72/83/12/354728312.db2.gz RRSZTHMTBCPJOY-GFCCVEGCSA-N 2 2 261.366 -0.959 20 0 CBADLP C[NH2+]C[C@@](C)(O)C[N@@H+](C)CC(=O)NCCCOC ZINC000565093449 354728316 /nfs/dbraw/zinc/72/83/16/354728316.db2.gz RRSZTHMTBCPJOY-GFCCVEGCSA-N 2 2 261.366 -0.959 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)[C@]1(CO)CCOC1 ZINC000565157720 354730449 /nfs/dbraw/zinc/73/04/49/354730449.db2.gz OVEYBJWWEUBPFS-STQMWFEESA-N 2 2 276.377 -0.991 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)[C@]1(CO)CCOC1 ZINC000565157720 354730451 /nfs/dbraw/zinc/73/04/51/354730451.db2.gz OVEYBJWWEUBPFS-STQMWFEESA-N 2 2 276.377 -0.991 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)[C@]1(CO)CCOC1 ZINC000565157720 354730452 /nfs/dbraw/zinc/73/04/52/354730452.db2.gz OVEYBJWWEUBPFS-STQMWFEESA-N 2 2 276.377 -0.991 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)[C@]1(CO)CCOC1 ZINC000565157720 354730454 /nfs/dbraw/zinc/73/04/54/354730454.db2.gz OVEYBJWWEUBPFS-STQMWFEESA-N 2 2 276.377 -0.991 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)[C@@]1(CO)CCOC1 ZINC000565157707 354730540 /nfs/dbraw/zinc/73/05/40/354730540.db2.gz OVEYBJWWEUBPFS-CHWSQXEVSA-N 2 2 276.377 -0.991 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@@]1(CO)CCOC1 ZINC000565157707 354730542 /nfs/dbraw/zinc/73/05/42/354730542.db2.gz OVEYBJWWEUBPFS-CHWSQXEVSA-N 2 2 276.377 -0.991 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)[C@@]1(CO)CCOC1 ZINC000565157707 354730545 /nfs/dbraw/zinc/73/05/45/354730545.db2.gz OVEYBJWWEUBPFS-CHWSQXEVSA-N 2 2 276.377 -0.991 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@@]1(CO)CCOC1 ZINC000565157707 354730547 /nfs/dbraw/zinc/73/05/47/354730547.db2.gz OVEYBJWWEUBPFS-CHWSQXEVSA-N 2 2 276.377 -0.991 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](CN2CCOCC2)C1 ZINC000565930929 354748414 /nfs/dbraw/zinc/74/84/14/354748414.db2.gz ZXGXOLUJJDKILU-CABCVRRESA-N 2 2 285.432 -0.047 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](CN2CCOCC2)C1 ZINC000565930929 354748418 /nfs/dbraw/zinc/74/84/18/354748418.db2.gz ZXGXOLUJJDKILU-CABCVRRESA-N 2 2 285.432 -0.047 20 0 CBADLP C[N@H+]1CCN(C(=O)CCc2ccncn2)[C@@H](C[NH3+])C1 ZINC000565949166 354748605 /nfs/dbraw/zinc/74/86/05/354748605.db2.gz PQOFADPDEKYUKV-LBPRGKRZSA-N 2 2 263.345 -0.490 20 0 CBADLP C[N@H+]1CCN(C(=O)[C@H]2CC(=O)N(C3CC3)C2)[C@@H](C[NH3+])C1 ZINC000565948717 354748904 /nfs/dbraw/zinc/74/89/04/354748904.db2.gz HHVUAAZQAATVMB-JQWIXIFHSA-N 2 2 280.372 -0.901 20 0 CBADLP NC(=O)[C@H](c1ccccc1)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000565904817 354748914 /nfs/dbraw/zinc/74/89/14/354748914.db2.gz SPYZEZORNZGVOR-UPJWGTAASA-N 2 2 288.351 -0.543 20 0 CBADLP NC(=O)[C@H](c1ccccc1)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000565904817 354748918 /nfs/dbraw/zinc/74/89/18/354748918.db2.gz SPYZEZORNZGVOR-UPJWGTAASA-N 2 2 288.351 -0.543 20 0 CBADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000566012826 354750453 /nfs/dbraw/zinc/75/04/53/354750453.db2.gz UPVOLVWODPVTLS-SDDRHHMPSA-N 2 2 254.378 -0.524 20 0 CBADLP COC1CCN(C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])CC1 ZINC000567592845 354790765 /nfs/dbraw/zinc/79/07/65/354790765.db2.gz HWYHDPKFFAYUFR-NSHDSACASA-N 2 2 270.377 -0.208 20 0 CBADLP COC1CCN(C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])CC1 ZINC000567592845 354790770 /nfs/dbraw/zinc/79/07/70/354790770.db2.gz HWYHDPKFFAYUFR-NSHDSACASA-N 2 2 270.377 -0.208 20 0 CBADLP CC(C)[NH+]1CCC(NC(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000566148114 354753786 /nfs/dbraw/zinc/75/37/86/354753786.db2.gz RUNJXAGIGQWPNL-UHFFFAOYSA-N 2 2 282.388 -0.593 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000566249458 354760002 /nfs/dbraw/zinc/76/00/02/354760002.db2.gz SEMROQNGPZUGLV-STQMWFEESA-N 2 2 294.399 -0.591 20 0 CBADLP C[C@H](C(=O)N1CC[NH2+]C[C@H]1C)[NH+]1CCN(C)CC1 ZINC000566248684 354760056 /nfs/dbraw/zinc/76/00/56/354760056.db2.gz HZGFAZHSHXRGFS-VXGBXAGGSA-N 2 2 254.378 -0.557 20 0 CBADLP CN(Cc1cnn(C)c1)C(=O)C[NH2+]CC1([NH3+])CCC1 ZINC000566302728 354762692 /nfs/dbraw/zinc/76/26/92/354762692.db2.gz OVXKHKBKUBYFCS-UHFFFAOYSA-N 2 2 265.361 -0.151 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](C)C[C@@H]1C(N)=O ZINC000566416639 354765170 /nfs/dbraw/zinc/76/51/70/354765170.db2.gz NQDLXNLSFWTZJQ-RWMBFGLXSA-N 2 2 287.404 -0.489 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](C)C[C@@H]1C(N)=O ZINC000566416639 354765171 /nfs/dbraw/zinc/76/51/71/354765171.db2.gz NQDLXNLSFWTZJQ-RWMBFGLXSA-N 2 2 287.404 -0.489 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](C)C[C@@H]1C(N)=O ZINC000566416639 354765173 /nfs/dbraw/zinc/76/51/73/354765173.db2.gz NQDLXNLSFWTZJQ-RWMBFGLXSA-N 2 2 287.404 -0.489 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](C)C[C@@H]1C(N)=O ZINC000566416639 354765174 /nfs/dbraw/zinc/76/51/74/354765174.db2.gz NQDLXNLSFWTZJQ-RWMBFGLXSA-N 2 2 287.404 -0.489 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)C[C@H]1C(N)=O ZINC000566416629 354765586 /nfs/dbraw/zinc/76/55/86/354765586.db2.gz NQDLXNLSFWTZJQ-AGIUHOORSA-N 2 2 287.404 -0.489 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)C[C@H]1C(N)=O ZINC000566416629 354765590 /nfs/dbraw/zinc/76/55/90/354765590.db2.gz NQDLXNLSFWTZJQ-AGIUHOORSA-N 2 2 287.404 -0.489 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](C)C[C@H]1C(N)=O ZINC000566416629 354765594 /nfs/dbraw/zinc/76/55/94/354765594.db2.gz NQDLXNLSFWTZJQ-AGIUHOORSA-N 2 2 287.404 -0.489 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](C)C[C@H]1C(N)=O ZINC000566416629 354765595 /nfs/dbraw/zinc/76/55/95/354765595.db2.gz NQDLXNLSFWTZJQ-AGIUHOORSA-N 2 2 287.404 -0.489 20 0 CBADLP C[C@H](CS(C)(=O)=O)[N@H+](CCN1CC[NH2+]CC1)C1CC1 ZINC000566738649 354774416 /nfs/dbraw/zinc/77/44/16/354774416.db2.gz BMJKBSATKWNMKY-GFCCVEGCSA-N 2 2 289.445 -0.211 20 0 CBADLP C[C@H](CS(C)(=O)=O)[N@@H+](CCN1CC[NH2+]CC1)C1CC1 ZINC000566738649 354774418 /nfs/dbraw/zinc/77/44/18/354774418.db2.gz BMJKBSATKWNMKY-GFCCVEGCSA-N 2 2 289.445 -0.211 20 0 CBADLP O=C(COC1C[NH2+]C1)NCCCCn1cc[nH+]c1 ZINC000566794886 354775553 /nfs/dbraw/zinc/77/55/53/354775553.db2.gz QTKHTORYJOPIBG-UHFFFAOYSA-N 2 2 252.318 -0.232 20 0 CBADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)CC[NH2+]C2CC2)CC1 ZINC000566865994 354776465 /nfs/dbraw/zinc/77/64/65/354776465.db2.gz GYHBZJUCIOAOMB-UHFFFAOYSA-N 2 2 282.388 -0.463 20 0 CBADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CC[NH+](C)C[C@@H]1C[NH3+] ZINC000567096266 354780715 /nfs/dbraw/zinc/78/07/15/354780715.db2.gz LESFQKBCMYEMDS-KWCYVHTRSA-N 3 2 295.431 -0.247 20 0 CBADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CC[NH+](C)C[C@@H]1C[NH3+] ZINC000567096266 354780717 /nfs/dbraw/zinc/78/07/17/354780717.db2.gz LESFQKBCMYEMDS-KWCYVHTRSA-N 3 2 295.431 -0.247 20 0 CBADLP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000567096266 354780718 /nfs/dbraw/zinc/78/07/18/354780718.db2.gz LESFQKBCMYEMDS-KWCYVHTRSA-N 3 2 295.431 -0.247 20 0 CBADLP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000567096266 354780720 /nfs/dbraw/zinc/78/07/20/354780720.db2.gz LESFQKBCMYEMDS-KWCYVHTRSA-N 3 2 295.431 -0.247 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)[C@@]2(C)CC[NH2+]C2)CCO1 ZINC000567051210 354780763 /nfs/dbraw/zinc/78/07/63/354780763.db2.gz IDLVMYZDDNDXBE-AAEUAGOBSA-N 2 2 255.362 -0.177 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)[C@@]2(C)CC[NH2+]C2)CCO1 ZINC000567051210 354780764 /nfs/dbraw/zinc/78/07/64/354780764.db2.gz IDLVMYZDDNDXBE-AAEUAGOBSA-N 2 2 255.362 -0.177 20 0 CBADLP CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000567180250 354782321 /nfs/dbraw/zinc/78/23/21/354782321.db2.gz DEIMWBUAKKHLND-FIQHERPVSA-N 2 2 282.388 -0.467 20 0 CBADLP CC[C@H](C)NC(=O)[C@H](C)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000567180250 354782324 /nfs/dbraw/zinc/78/23/24/354782324.db2.gz DEIMWBUAKKHLND-FIQHERPVSA-N 2 2 282.388 -0.467 20 0 CBADLP NC(=O)NC(=O)CC[N@@H+]1CC2CCC1(C[NH3+])CC2 ZINC000567291387 354785064 /nfs/dbraw/zinc/78/50/64/354785064.db2.gz ZPAFDQIGMGNFJD-UHFFFAOYSA-N 2 2 254.334 -0.225 20 0 CBADLP NC(=O)NC(=O)CC[N@H+]1CC2CCC1(C[NH3+])CC2 ZINC000567291387 354785065 /nfs/dbraw/zinc/78/50/65/354785065.db2.gz ZPAFDQIGMGNFJD-UHFFFAOYSA-N 2 2 254.334 -0.225 20 0 CBADLP COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]([NH3+])C(C)C)C1 ZINC000567383607 354786528 /nfs/dbraw/zinc/78/65/28/354786528.db2.gz NCCFCKLQRWSCIM-YPMHNXCESA-N 2 2 285.388 -0.029 20 0 CBADLP COC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]([NH3+])C(C)C)C1 ZINC000567383607 354786529 /nfs/dbraw/zinc/78/65/29/354786529.db2.gz NCCFCKLQRWSCIM-YPMHNXCESA-N 2 2 285.388 -0.029 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]2C[C@@]23CC[NH2+]C3)CCO1 ZINC000565481770 354739644 /nfs/dbraw/zinc/73/96/44/354739644.db2.gz BZLSPTMVWYOCMD-YRGRVCCFSA-N 2 2 267.373 -0.177 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2C[C@@]23CC[NH2+]C3)CCO1 ZINC000565481770 354739645 /nfs/dbraw/zinc/73/96/45/354739645.db2.gz BZLSPTMVWYOCMD-YRGRVCCFSA-N 2 2 267.373 -0.177 20 0 CBADLP COCC[NH2+]C1CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000565487614 354739857 /nfs/dbraw/zinc/73/98/57/354739857.db2.gz YICZLSKOJMKTDH-UHFFFAOYSA-N 3 2 298.431 -0.491 20 0 CBADLP C[C@H](NC(=O)C1CCCC1)C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000565537190 354740432 /nfs/dbraw/zinc/74/04/32/354740432.db2.gz LMYOPLVJGNAMSC-WCQYABFASA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@H](NC(=O)C1CCCC1)C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000565537190 354740433 /nfs/dbraw/zinc/74/04/33/354740433.db2.gz LMYOPLVJGNAMSC-WCQYABFASA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@H](c1nnnn1C)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000567895471 354803082 /nfs/dbraw/zinc/80/30/82/354803082.db2.gz KJPGWCRYZUHEEC-MNOVXSKESA-N 2 2 280.376 -0.042 20 0 CBADLP C[C@H](c1nnnn1C)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000567895471 354803088 /nfs/dbraw/zinc/80/30/88/354803088.db2.gz KJPGWCRYZUHEEC-MNOVXSKESA-N 2 2 280.376 -0.042 20 0 CBADLP Cn1ccc(N2CCC[C@H]([N@H+](C)C[C@@H](O)C[NH3+])C2=O)n1 ZINC000567990350 354806611 /nfs/dbraw/zinc/80/66/11/354806611.db2.gz VTQTZNCSPNXBMT-QWRGUYRKSA-N 2 2 281.360 -0.833 20 0 CBADLP Cn1ccc(N2CCC[C@H]([N@@H+](C)C[C@@H](O)C[NH3+])C2=O)n1 ZINC000567990350 354806614 /nfs/dbraw/zinc/80/66/14/354806614.db2.gz VTQTZNCSPNXBMT-QWRGUYRKSA-N 2 2 281.360 -0.833 20 0 CBADLP Cn1ccc(N2CCC[C@H]([N@H+](C)C[C@H](O)C[NH3+])C2=O)n1 ZINC000567990349 354807316 /nfs/dbraw/zinc/80/73/16/354807316.db2.gz VTQTZNCSPNXBMT-MNOVXSKESA-N 2 2 281.360 -0.833 20 0 CBADLP Cn1ccc(N2CCC[C@H]([N@@H+](C)C[C@H](O)C[NH3+])C2=O)n1 ZINC000567990349 354807317 /nfs/dbraw/zinc/80/73/17/354807317.db2.gz VTQTZNCSPNXBMT-MNOVXSKESA-N 2 2 281.360 -0.833 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000568166226 354812293 /nfs/dbraw/zinc/81/22/93/354812293.db2.gz GJYDZJPHTUGIGJ-IGQOVBAYSA-N 2 2 299.415 -0.489 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000568166226 354812294 /nfs/dbraw/zinc/81/22/94/354812294.db2.gz GJYDZJPHTUGIGJ-IGQOVBAYSA-N 2 2 299.415 -0.489 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000568166226 354812296 /nfs/dbraw/zinc/81/22/96/354812296.db2.gz GJYDZJPHTUGIGJ-IGQOVBAYSA-N 2 2 299.415 -0.489 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000568166226 354812297 /nfs/dbraw/zinc/81/22/97/354812297.db2.gz GJYDZJPHTUGIGJ-IGQOVBAYSA-N 2 2 299.415 -0.489 20 0 CBADLP O=C1C[C@@H]([N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)C(=O)N1 ZINC000568408984 354823716 /nfs/dbraw/zinc/82/37/16/354823716.db2.gz ONRRFOGBPDPWCK-GHMZBOCLSA-N 2 2 261.281 -0.050 20 0 CBADLP O=C1C[C@@H]([N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)C(=O)N1 ZINC000568408984 354823719 /nfs/dbraw/zinc/82/37/19/354823719.db2.gz ONRRFOGBPDPWCK-GHMZBOCLSA-N 2 2 261.281 -0.050 20 0 CBADLP O=C(NC[C@@H]1CCC[NH2+]1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000568490916 354825335 /nfs/dbraw/zinc/82/53/35/354825335.db2.gz JNBBZLCVTHZNMU-LBPRGKRZSA-N 2 2 292.387 -0.011 20 0 CBADLP CCOC(=O)[C@](C)(O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000568878344 354834151 /nfs/dbraw/zinc/83/41/51/354834151.db2.gz BXLQFXMPXPPVND-CYBMUJFWSA-N 2 2 282.344 -0.154 20 0 CBADLP CCCCNC(=O)[C@H](C)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000568664735 354829696 /nfs/dbraw/zinc/82/96/96/354829696.db2.gz RRFSBTHITYBRGS-SDDRHHMPSA-N 2 2 282.388 -0.465 20 0 CBADLP CCCCNC(=O)[C@H](C)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000568664735 354829698 /nfs/dbraw/zinc/82/96/98/354829698.db2.gz RRFSBTHITYBRGS-SDDRHHMPSA-N 2 2 282.388 -0.465 20 0 CBADLP O=C(Nc1ccc2[nH+]ccn2c1)C(=O)N1CC[NH2+]CC1 ZINC000568664075 354829747 /nfs/dbraw/zinc/82/97/47/354829747.db2.gz IRLPEOCYQDNABZ-UHFFFAOYSA-N 2 2 273.296 -0.295 20 0 CBADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CC[NH2+]2)CC1 ZINC000568747572 354830834 /nfs/dbraw/zinc/83/08/34/354830834.db2.gz DRENAGNBZBYCSB-LLVKDONJSA-N 2 2 268.361 -0.981 20 0 CBADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CC[NH2+]2)CC1 ZINC000568747572 354830839 /nfs/dbraw/zinc/83/08/39/354830839.db2.gz DRENAGNBZBYCSB-LLVKDONJSA-N 2 2 268.361 -0.981 20 0 CBADLP CO[C@@H](C)[C@@H](C)NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000567716207 354794227 /nfs/dbraw/zinc/79/42/27/354794227.db2.gz WIHLSTWFAFFEOV-VWYCJHECSA-N 2 2 258.366 -0.306 20 0 CBADLP CO[C@@H](C)[C@@H](C)NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000567716207 354794242 /nfs/dbraw/zinc/79/42/42/354794242.db2.gz WIHLSTWFAFFEOV-VWYCJHECSA-N 2 2 258.366 -0.306 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)CC(F)(F)C[NH3+] ZINC000567745252 354795708 /nfs/dbraw/zinc/79/57/08/354795708.db2.gz JKYWVTSRCBOOQE-SECBINFHSA-N 2 2 265.304 -0.193 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)CC(F)(F)C[NH3+] ZINC000567745252 354795709 /nfs/dbraw/zinc/79/57/09/354795709.db2.gz JKYWVTSRCBOOQE-SECBINFHSA-N 2 2 265.304 -0.193 20 0 CBADLP COC(=O)CCNC(=O)C[N@H+](C)C1CC[NH2+]CC1 ZINC000571762778 354879364 /nfs/dbraw/zinc/87/93/64/354879364.db2.gz LXRFHIGIBPBANX-UHFFFAOYSA-N 2 2 257.334 -0.651 20 0 CBADLP COC(=O)CCNC(=O)C[N@@H+](C)C1CC[NH2+]CC1 ZINC000571762778 354879368 /nfs/dbraw/zinc/87/93/68/354879368.db2.gz LXRFHIGIBPBANX-UHFFFAOYSA-N 2 2 257.334 -0.651 20 0 CBADLP Cn1cc(C[C@H](CO)[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)cn1 ZINC000570803388 354869396 /nfs/dbraw/zinc/86/93/96/354869396.db2.gz QMPGCQHSECWZAI-TZMCWYRMSA-N 2 2 282.388 -0.632 20 0 CBADLP Cn1cc(C[C@H](CO)[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)cn1 ZINC000570803388 354869399 /nfs/dbraw/zinc/86/93/99/354869399.db2.gz QMPGCQHSECWZAI-TZMCWYRMSA-N 2 2 282.388 -0.632 20 0 CBADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC(=O)N2CCNC2=O)C1 ZINC000570822879 354870284 /nfs/dbraw/zinc/87/02/84/354870284.db2.gz HDLMFLZGFNEJEE-JTQLQIEISA-N 2 2 277.328 -0.239 20 0 CBADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC(=O)N2CCNC2=O)C1 ZINC000570822879 354870288 /nfs/dbraw/zinc/87/02/88/354870288.db2.gz HDLMFLZGFNEJEE-JTQLQIEISA-N 2 2 277.328 -0.239 20 0 CBADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H]2CCC[NH2+]2)[C@@H](C)C1 ZINC000568975632 354836104 /nfs/dbraw/zinc/83/61/04/354836104.db2.gz PCQBDVJTXBOFII-RYUDHWBXSA-N 2 2 283.372 -0.166 20 0 CBADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H]2CCC[NH2+]2)[C@@H](C)C1 ZINC000568975632 354836109 /nfs/dbraw/zinc/83/61/09/354836109.db2.gz PCQBDVJTXBOFII-RYUDHWBXSA-N 2 2 283.372 -0.166 20 0 CBADLP CN(CCC[NH+](C)C)C(=O)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000569002116 354837322 /nfs/dbraw/zinc/83/73/22/354837322.db2.gz XTTQPLJSNIGCBD-UHFFFAOYSA-N 2 2 281.360 -0.222 20 0 CBADLP CN(CCC[NH+](C)C)C(=O)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000569002116 354837325 /nfs/dbraw/zinc/83/73/25/354837325.db2.gz XTTQPLJSNIGCBD-UHFFFAOYSA-N 2 2 281.360 -0.222 20 0 CBADLP CO[C@H]1C[NH2+][C@@H](C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)C1 ZINC000569224825 354840332 /nfs/dbraw/zinc/84/03/32/354840332.db2.gz GABVCXYMWGKRKO-VXGBXAGGSA-N 2 2 293.371 -0.569 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@](C)(C(N)=O)C1 ZINC000569235187 354841045 /nfs/dbraw/zinc/84/10/45/354841045.db2.gz QLOSHDSTWBXJCQ-YPMHNXCESA-N 2 2 273.377 -0.877 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@](C)(C(N)=O)C1 ZINC000569235187 354841049 /nfs/dbraw/zinc/84/10/49/354841049.db2.gz QLOSHDSTWBXJCQ-YPMHNXCESA-N 2 2 273.377 -0.877 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@](C)(C(N)=O)C1 ZINC000569235187 354841050 /nfs/dbraw/zinc/84/10/50/354841050.db2.gz QLOSHDSTWBXJCQ-YPMHNXCESA-N 2 2 273.377 -0.877 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@](C)(C(N)=O)C1 ZINC000569235187 354841055 /nfs/dbraw/zinc/84/10/55/354841055.db2.gz QLOSHDSTWBXJCQ-YPMHNXCESA-N 2 2 273.377 -0.877 20 0 CBADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCCOC2)[C@@H](C[NH3+])C1 ZINC000570066256 354853596 /nfs/dbraw/zinc/85/35/96/354853596.db2.gz FZASVHPKTDDCNU-MNOVXSKESA-N 2 2 256.350 -0.550 20 0 CBADLP C[N@H+]1CCN(C(=O)N[C@@H]2CCCOC2)[C@@H](C[NH3+])C1 ZINC000570066256 354853599 /nfs/dbraw/zinc/85/35/99/354853599.db2.gz FZASVHPKTDDCNU-MNOVXSKESA-N 2 2 256.350 -0.550 20 0 CBADLP C[NH+](C)CCCN1C(=O)C[C@H]([NH2+]Cc2ccncn2)C1=O ZINC000570103845 354854359 /nfs/dbraw/zinc/85/43/59/354854359.db2.gz CLXHBLXCSJNYIC-LBPRGKRZSA-N 2 2 291.355 -0.355 20 0 CBADLP CCCNC(=O)NC(=O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000570145719 354855363 /nfs/dbraw/zinc/85/53/63/354855363.db2.gz YNTPLZMHCIHADM-UHFFFAOYSA-N 2 2 294.359 -0.233 20 0 CBADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)CCCC[NH3+])CC1 ZINC000571759376 354878963 /nfs/dbraw/zinc/87/89/63/354878963.db2.gz NOAPXSSEZGABKM-UHFFFAOYSA-N 2 2 270.377 -0.477 20 0 CBADLP C[N@H+](CCNC(=O)N1CC[NH+](C)C[C@H]1C[NH3+])C1CC1 ZINC000570424683 354861222 /nfs/dbraw/zinc/86/12/22/354861222.db2.gz GENXVEILAASDBI-GFCCVEGCSA-N 3 2 269.393 -0.635 20 0 CBADLP C[N@@H+](CCNC(=O)N1CC[NH+](C)C[C@H]1C[NH3+])C1CC1 ZINC000570424683 354861223 /nfs/dbraw/zinc/86/12/23/354861223.db2.gz GENXVEILAASDBI-GFCCVEGCSA-N 3 2 269.393 -0.635 20 0 CBADLP C[NH+](CCNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])C1CC1 ZINC000570424683 354861225 /nfs/dbraw/zinc/86/12/25/354861225.db2.gz GENXVEILAASDBI-GFCCVEGCSA-N 3 2 269.393 -0.635 20 0 CBADLP COCC[N@H+](C)CCC[NH2+]C[C@@H](C)S(C)(=O)=O ZINC000570444646 354861968 /nfs/dbraw/zinc/86/19/68/354861968.db2.gz UKSLBZOJDWCAJI-LLVKDONJSA-N 2 2 266.407 -0.023 20 0 CBADLP COCC[N@@H+](C)CCC[NH2+]C[C@@H](C)S(C)(=O)=O ZINC000570444646 354861970 /nfs/dbraw/zinc/86/19/70/354861970.db2.gz UKSLBZOJDWCAJI-LLVKDONJSA-N 2 2 266.407 -0.023 20 0 CBADLP C[C@@H](C[NH+](C)C)NC[C@H](O)C[NH+]1CCN(C)CC1 ZINC000570509892 354862849 /nfs/dbraw/zinc/86/28/49/354862849.db2.gz LFBTUADWSQXRHV-STQMWFEESA-N 2 2 258.410 -0.866 20 0 CBADLP Nc1[nH+]cnc(N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c1Cl ZINC000570464609 354863405 /nfs/dbraw/zinc/86/34/05/354863405.db2.gz SGDVQMJMIISRND-RNFRBKRXSA-N 2 2 282.735 -0.540 20 0 CBADLP Nc1nc[nH+]c(N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c1Cl ZINC000570464609 354863407 /nfs/dbraw/zinc/86/34/07/354863407.db2.gz SGDVQMJMIISRND-RNFRBKRXSA-N 2 2 282.735 -0.540 20 0 CBADLP C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](C)C[C@H]1C[NH3+] ZINC000572134356 354887401 /nfs/dbraw/zinc/88/74/01/354887401.db2.gz HCCZGQYZFGFYDZ-VXGBXAGGSA-N 3 2 269.393 -0.635 20 0 CBADLP C[N@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](C)C[C@H]1C[NH3+] ZINC000572134356 354887405 /nfs/dbraw/zinc/88/74/05/354887405.db2.gz HCCZGQYZFGFYDZ-VXGBXAGGSA-N 3 2 269.393 -0.635 20 0 CBADLP C[NH+]1CCC[C@@H]1CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000572134356 354887406 /nfs/dbraw/zinc/88/74/06/354887406.db2.gz HCCZGQYZFGFYDZ-VXGBXAGGSA-N 3 2 269.393 -0.635 20 0 CBADLP C[NH+]1CCC[C@@H]1CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000572134356 354887410 /nfs/dbraw/zinc/88/74/10/354887410.db2.gz HCCZGQYZFGFYDZ-VXGBXAGGSA-N 3 2 269.393 -0.635 20 0 CBADLP CCn1nccc1C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000573626121 354917214 /nfs/dbraw/zinc/91/72/14/354917214.db2.gz WVYFRMIIKWVSEQ-NEPJUHHUSA-N 2 2 263.345 -0.353 20 0 CBADLP CCn1nccc1C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000573626121 354917217 /nfs/dbraw/zinc/91/72/17/354917217.db2.gz WVYFRMIIKWVSEQ-NEPJUHHUSA-N 2 2 263.345 -0.353 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](OCCO)C1 ZINC000572732002 354896079 /nfs/dbraw/zinc/89/60/79/354896079.db2.gz MJSSJOQMTAVEAE-CHWSQXEVSA-N 2 2 260.378 -0.228 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](OCCO)C1 ZINC000572732002 354896082 /nfs/dbraw/zinc/89/60/82/354896082.db2.gz MJSSJOQMTAVEAE-CHWSQXEVSA-N 2 2 260.378 -0.228 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](OCCO)C1 ZINC000572732002 354896086 /nfs/dbraw/zinc/89/60/86/354896086.db2.gz MJSSJOQMTAVEAE-CHWSQXEVSA-N 2 2 260.378 -0.228 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](OCCO)C1 ZINC000572732002 354896090 /nfs/dbraw/zinc/89/60/90/354896090.db2.gz MJSSJOQMTAVEAE-CHWSQXEVSA-N 2 2 260.378 -0.228 20 0 CBADLP NC(=O)[C@H]1C[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CCO1 ZINC000573121585 354905864 /nfs/dbraw/zinc/90/58/64/354905864.db2.gz LCASINKCENHNHI-MELADBBJSA-N 2 2 293.367 -0.897 20 0 CBADLP NC(=O)[C@H]1C[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CCO1 ZINC000573121585 354905866 /nfs/dbraw/zinc/90/58/66/354905866.db2.gz LCASINKCENHNHI-MELADBBJSA-N 2 2 293.367 -0.897 20 0 CBADLP COCC[NH2+]CC(=O)NCCNc1cccc[nH+]1 ZINC000573202889 354906663 /nfs/dbraw/zinc/90/66/63/354906663.db2.gz MNZXKZFEKGDLEX-UHFFFAOYSA-N 2 2 252.318 -0.154 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](OCCO)C1 ZINC000573455823 354913413 /nfs/dbraw/zinc/91/34/13/354913413.db2.gz RBHVZJJCGYWMMB-ZIAGYGMSSA-N 2 2 290.404 -0.601 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](OCCO)C1 ZINC000573455823 354913416 /nfs/dbraw/zinc/91/34/16/354913416.db2.gz RBHVZJJCGYWMMB-ZIAGYGMSSA-N 2 2 290.404 -0.601 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](OCCO)C1 ZINC000573455823 354913419 /nfs/dbraw/zinc/91/34/19/354913419.db2.gz RBHVZJJCGYWMMB-ZIAGYGMSSA-N 2 2 290.404 -0.601 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](OCCO)C1 ZINC000573455823 354913422 /nfs/dbraw/zinc/91/34/22/354913422.db2.gz RBHVZJJCGYWMMB-ZIAGYGMSSA-N 2 2 290.404 -0.601 20 0 CBADLP C[NH2+]CCCC(=O)NC[C@@H]1CCC[N@H+](CC(=O)OC)C1 ZINC000571879181 354881953 /nfs/dbraw/zinc/88/19/53/354881953.db2.gz IUFGGXIECOHTBQ-LBPRGKRZSA-N 2 2 285.388 -0.013 20 0 CBADLP C[NH2+]CCCC(=O)NC[C@@H]1CCC[N@@H+](CC(=O)OC)C1 ZINC000571879181 354881955 /nfs/dbraw/zinc/88/19/55/354881955.db2.gz IUFGGXIECOHTBQ-LBPRGKRZSA-N 2 2 285.388 -0.013 20 0 CBADLP C[NH2+]CCCC(=O)NC[C@H]1CCC[N@H+](CC(=O)OC)C1 ZINC000571879180 354882089 /nfs/dbraw/zinc/88/20/89/354882089.db2.gz IUFGGXIECOHTBQ-GFCCVEGCSA-N 2 2 285.388 -0.013 20 0 CBADLP C[NH2+]CCCC(=O)NC[C@H]1CCC[N@@H+](CC(=O)OC)C1 ZINC000571879180 354882091 /nfs/dbraw/zinc/88/20/91/354882091.db2.gz IUFGGXIECOHTBQ-GFCCVEGCSA-N 2 2 285.388 -0.013 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)Cn1cc[nH+]c1 ZINC000573772010 354920356 /nfs/dbraw/zinc/92/03/56/354920356.db2.gz HFURZPXCZRZILF-NSHDSACASA-N 2 2 252.318 -0.280 20 0 CBADLP CC(C)OC(=O)CCNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000578121632 354939082 /nfs/dbraw/zinc/93/90/82/354939082.db2.gz ZWBQKMIYPISSSJ-LLVKDONJSA-N 2 2 286.376 -0.388 20 0 CBADLP CC(C)OC(=O)CCNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000578121632 354939083 /nfs/dbraw/zinc/93/90/83/354939083.db2.gz ZWBQKMIYPISSSJ-LLVKDONJSA-N 2 2 286.376 -0.388 20 0 CBADLP CC[C@@H](CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])OC ZINC000578226908 354942036 /nfs/dbraw/zinc/94/20/36/354942036.db2.gz PQTZAIOHLQWKOL-QWRGUYRKSA-N 2 2 258.366 -0.304 20 0 CBADLP CC[C@@H](CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])OC ZINC000578226908 354942039 /nfs/dbraw/zinc/94/20/39/354942039.db2.gz PQTZAIOHLQWKOL-QWRGUYRKSA-N 2 2 258.366 -0.304 20 0 CBADLP O=C(NC1C[NH2+]C1)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000578338057 354944207 /nfs/dbraw/zinc/94/42/07/354944207.db2.gz DCYXHUDAJONPET-GFCCVEGCSA-N 2 2 290.323 -0.851 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+](CCO)[C@H]1CCO[C@@H]1C ZINC000578519321 354947673 /nfs/dbraw/zinc/94/76/73/354947673.db2.gz WMRPYODPNUXUGT-RDBSUJKOSA-N 2 2 290.404 -0.603 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+](CCO)[C@H]1CCO[C@@H]1C ZINC000578519321 354947678 /nfs/dbraw/zinc/94/76/78/354947678.db2.gz WMRPYODPNUXUGT-RDBSUJKOSA-N 2 2 290.404 -0.603 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+](CCO)[C@H]1CCO[C@@H]1C ZINC000578519321 354947681 /nfs/dbraw/zinc/94/76/81/354947681.db2.gz WMRPYODPNUXUGT-RDBSUJKOSA-N 2 2 290.404 -0.603 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+](CCO)[C@H]1CCO[C@@H]1C ZINC000578519321 354947685 /nfs/dbraw/zinc/94/76/85/354947685.db2.gz WMRPYODPNUXUGT-RDBSUJKOSA-N 2 2 290.404 -0.603 20 0 CBADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000578587350 354949698 /nfs/dbraw/zinc/94/96/98/354949698.db2.gz WDALILIOPCWISZ-UHFFFAOYSA-N 2 2 293.371 -0.447 20 0 CBADLP CCNC(=O)C[N@H+]1CCCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000578587350 354949699 /nfs/dbraw/zinc/94/96/99/354949699.db2.gz WDALILIOPCWISZ-UHFFFAOYSA-N 2 2 293.371 -0.447 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCCC[C@@H]1CC(N)=O ZINC000578664251 354951396 /nfs/dbraw/zinc/95/13/96/354951396.db2.gz HIBDPKOOMYKKMD-CHWSQXEVSA-N 2 2 287.404 -0.345 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC[C@@H]1CC(N)=O ZINC000578664251 354951399 /nfs/dbraw/zinc/95/13/99/354951399.db2.gz HIBDPKOOMYKKMD-CHWSQXEVSA-N 2 2 287.404 -0.345 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCCC[C@@H]1CC(N)=O ZINC000578664251 354951401 /nfs/dbraw/zinc/95/14/01/354951401.db2.gz HIBDPKOOMYKKMD-CHWSQXEVSA-N 2 2 287.404 -0.345 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCCC[C@@H]1CC(N)=O ZINC000578664251 354951405 /nfs/dbraw/zinc/95/14/05/354951405.db2.gz HIBDPKOOMYKKMD-CHWSQXEVSA-N 2 2 287.404 -0.345 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1CC(N)=O ZINC000578664252 354952118 /nfs/dbraw/zinc/95/21/18/354952118.db2.gz HIBDPKOOMYKKMD-OLZOCXBDSA-N 2 2 287.404 -0.345 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1CC(N)=O ZINC000578664252 354952121 /nfs/dbraw/zinc/95/21/21/354952121.db2.gz HIBDPKOOMYKKMD-OLZOCXBDSA-N 2 2 287.404 -0.345 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@@H]1CC(N)=O ZINC000578664252 354952124 /nfs/dbraw/zinc/95/21/24/354952124.db2.gz HIBDPKOOMYKKMD-OLZOCXBDSA-N 2 2 287.404 -0.345 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@@H]1CC(N)=O ZINC000578664252 354952128 /nfs/dbraw/zinc/95/21/28/354952128.db2.gz HIBDPKOOMYKKMD-OLZOCXBDSA-N 2 2 287.404 -0.345 20 0 CBADLP C[NH2+][C@@H]1CCN(C(=O)[C@@H](C)[NH+]2CCN(C)CC2)C1 ZINC000579474796 354971416 /nfs/dbraw/zinc/97/14/16/354971416.db2.gz OCUFXJGLPCQNLE-VXGBXAGGSA-N 2 2 254.378 -0.557 20 0 CBADLP CCO[C@@H]1COC[C@H]1[NH2+][C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000579555774 354973389 /nfs/dbraw/zinc/97/33/89/354973389.db2.gz HLAZDJIGULRXGC-MGPQQGTHSA-N 2 2 299.415 -0.068 20 0 CBADLP COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[NH2+][C@@H]2C)C1 ZINC000579708044 354976739 /nfs/dbraw/zinc/97/67/39/354976739.db2.gz LLLVAYJPXKHXEH-JHJVBQTASA-N 2 2 297.399 -0.014 20 0 CBADLP COC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[NH2+][C@@H]2C)C1 ZINC000579708044 354976743 /nfs/dbraw/zinc/97/67/43/354976743.db2.gz LLLVAYJPXKHXEH-JHJVBQTASA-N 2 2 297.399 -0.014 20 0 CBADLP COCCn1cc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cn1 ZINC000579853676 354981664 /nfs/dbraw/zinc/98/16/64/354981664.db2.gz ZCOHIWPCGKGCRQ-OLZOCXBDSA-N 2 2 293.371 -0.727 20 0 CBADLP COCCn1cc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cn1 ZINC000579853677 354981923 /nfs/dbraw/zinc/98/19/23/354981923.db2.gz ZCOHIWPCGKGCRQ-QWHCGFSZSA-N 2 2 293.371 -0.727 20 0 CBADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)[C@@H](C[NH3+])C1 ZINC000580299702 354991688 /nfs/dbraw/zinc/99/16/88/354991688.db2.gz DHRGMMDAFRKWAC-BFHYXJOUSA-N 3 2 295.431 -0.103 20 0 CBADLP C[N@H+]1CCN(C(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)[C@@H](C[NH3+])C1 ZINC000580299702 354991691 /nfs/dbraw/zinc/99/16/91/354991691.db2.gz DHRGMMDAFRKWAC-BFHYXJOUSA-N 3 2 295.431 -0.103 20 0 CBADLP C[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)[C@@H](C[NH3+])C1 ZINC000580299702 354991692 /nfs/dbraw/zinc/99/16/92/354991692.db2.gz DHRGMMDAFRKWAC-BFHYXJOUSA-N 3 2 295.431 -0.103 20 0 CBADLP C[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)[C@@H](C[NH3+])C1 ZINC000580299702 354991695 /nfs/dbraw/zinc/99/16/95/354991695.db2.gz DHRGMMDAFRKWAC-BFHYXJOUSA-N 3 2 295.431 -0.103 20 0 CBADLP [NH3+]CC[C@H]1CCCCN1C(=O)CN1CC[NH2+]CC1=O ZINC000580300479 354991884 /nfs/dbraw/zinc/99/18/84/354991884.db2.gz RNLNNSLLEMSLCN-LLVKDONJSA-N 2 2 268.361 -0.852 20 0 CBADLP COCC[NH+]1CCN(C(=O)CC(F)(F)C[NH3+])CC1 ZINC000580722035 354996898 /nfs/dbraw/zinc/99/68/98/354996898.db2.gz NZXSSPGTCTUZQI-UHFFFAOYSA-N 2 2 265.304 -0.239 20 0 CBADLP COCC[N@H+](C)C[C@H](O)CN(C)CC[NH+]1CCOCC1 ZINC000580752590 354997570 /nfs/dbraw/zinc/99/75/70/354997570.db2.gz BIQBLKSMFMYAGE-CQSZACIVSA-N 2 2 289.420 -0.811 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)CN(C)CC[NH+]1CCOCC1 ZINC000580752590 354997572 /nfs/dbraw/zinc/99/75/72/354997572.db2.gz BIQBLKSMFMYAGE-CQSZACIVSA-N 2 2 289.420 -0.811 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)CCN1CCOCC1 ZINC000580752590 354997574 /nfs/dbraw/zinc/99/75/74/354997574.db2.gz BIQBLKSMFMYAGE-CQSZACIVSA-N 2 2 289.420 -0.811 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)CCN1CCOCC1 ZINC000580752590 354997576 /nfs/dbraw/zinc/99/75/76/354997576.db2.gz BIQBLKSMFMYAGE-CQSZACIVSA-N 2 2 289.420 -0.811 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)CCN1CCOCC1 ZINC000580752590 354997577 /nfs/dbraw/zinc/99/75/77/354997577.db2.gz BIQBLKSMFMYAGE-CQSZACIVSA-N 2 2 289.420 -0.811 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)CCN1CCOCC1 ZINC000580752590 354997580 /nfs/dbraw/zinc/99/75/80/354997580.db2.gz BIQBLKSMFMYAGE-CQSZACIVSA-N 2 2 289.420 -0.811 20 0 CBADLP COCC[NH2+]C1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC000584534761 355031118 /nfs/dbraw/zinc/03/11/18/355031118.db2.gz DDHWQWPTSSZSDO-GFCCVEGCSA-N 2 2 255.362 -0.083 20 0 CBADLP CC(C)C[C@H]([NH3+])C[NH2+][C@@H]1CCN(S(C)(=O)=O)C1 ZINC000584622894 355033497 /nfs/dbraw/zinc/03/34/97/355033497.db2.gz SMMKKMIUCXIPKT-WDEREUQCSA-N 2 2 263.407 -0.017 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@H](C[NH3+])C1CC1 ZINC000584719069 355035844 /nfs/dbraw/zinc/03/58/44/355035844.db2.gz LULVMXHTIDWWIH-LLVKDONJSA-N 2 2 270.377 -0.704 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@H](C[NH3+])C1CC1 ZINC000584719069 355035847 /nfs/dbraw/zinc/03/58/47/355035847.db2.gz LULVMXHTIDWWIH-LLVKDONJSA-N 2 2 270.377 -0.704 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000584779162 355037163 /nfs/dbraw/zinc/03/71/63/355037163.db2.gz BRTZRMHUPLKPLI-VXGBXAGGSA-N 2 2 284.404 -0.443 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000584779162 355037167 /nfs/dbraw/zinc/03/71/67/355037167.db2.gz BRTZRMHUPLKPLI-VXGBXAGGSA-N 2 2 284.404 -0.443 20 0 CBADLP COCC[N@H+](C)CCCNC(=O)Cn1cc[nH+]c1 ZINC000582096299 355008523 /nfs/dbraw/zinc/00/85/23/355008523.db2.gz NHLOJNKPCPXSBH-UHFFFAOYSA-N 2 2 254.334 -0.032 20 0 CBADLP COCC[N@@H+](C)CCCNC(=O)Cn1cc[nH+]c1 ZINC000582096299 355008526 /nfs/dbraw/zinc/00/85/26/355008526.db2.gz NHLOJNKPCPXSBH-UHFFFAOYSA-N 2 2 254.334 -0.032 20 0 CBADLP COC[C@H](NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])C1CC1 ZINC000582350046 355014236 /nfs/dbraw/zinc/01/42/36/355014236.db2.gz JIROKJIRXKEBNL-NEPJUHHUSA-N 2 2 270.377 -0.304 20 0 CBADLP COC[C@H](NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])C1CC1 ZINC000582350046 355014238 /nfs/dbraw/zinc/01/42/38/355014238.db2.gz JIROKJIRXKEBNL-NEPJUHHUSA-N 2 2 270.377 -0.304 20 0 CBADLP Cc1nc(N2CCN(C(=O)[C@H]3CC[NH2+]3)CC2)cc[nH+]1 ZINC000582358807 355015136 /nfs/dbraw/zinc/01/51/36/355015136.db2.gz RVRPRMASANDLHZ-LLVKDONJSA-N 2 2 261.329 -0.204 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+](CCO)[C@@H]1CCO[C@@H]1C ZINC000584002097 355027209 /nfs/dbraw/zinc/02/72/09/355027209.db2.gz LZOPQEWRQKIYON-FRRDWIJNSA-N 2 2 260.378 -0.229 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+](CCO)[C@@H]1CCO[C@@H]1C ZINC000584002097 355027213 /nfs/dbraw/zinc/02/72/13/355027213.db2.gz LZOPQEWRQKIYON-FRRDWIJNSA-N 2 2 260.378 -0.229 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@H+](CCO)[C@@H]1CCO[C@@H]1C ZINC000584002097 355027215 /nfs/dbraw/zinc/02/72/15/355027215.db2.gz LZOPQEWRQKIYON-FRRDWIJNSA-N 2 2 260.378 -0.229 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@@H+](CCO)[C@@H]1CCO[C@@H]1C ZINC000584002097 355027219 /nfs/dbraw/zinc/02/72/19/355027219.db2.gz LZOPQEWRQKIYON-FRRDWIJNSA-N 2 2 260.378 -0.229 20 0 CBADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000585718292 355049220 /nfs/dbraw/zinc/04/92/20/355049220.db2.gz BKBJWPOAYDJKRM-RYUDHWBXSA-N 2 2 298.387 -0.244 20 0 CBADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000585718292 355049221 /nfs/dbraw/zinc/04/92/21/355049221.db2.gz BKBJWPOAYDJKRM-RYUDHWBXSA-N 2 2 298.387 -0.244 20 0 CBADLP C[NH+](C)CC(=O)N1CC[NH+](CCn2ccccc2=O)CC1 ZINC000586843492 355054271 /nfs/dbraw/zinc/05/42/71/355054271.db2.gz MQTNXNABYOCTPP-UHFFFAOYSA-N 2 2 292.383 -0.446 20 0 CBADLP Nc1nc(N)nc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)n1 ZINC000591866526 355114235 /nfs/dbraw/zinc/11/42/35/355114235.db2.gz BMLKDTRHBGHGJI-VIFPVBQESA-N 2 2 274.332 -0.270 20 0 CBADLP Nc1nc(N)nc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)n1 ZINC000591866526 355114240 /nfs/dbraw/zinc/11/42/40/355114240.db2.gz BMLKDTRHBGHGJI-VIFPVBQESA-N 2 2 274.332 -0.270 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC000591460622 355096408 /nfs/dbraw/zinc/09/64/08/355096408.db2.gz UAXPABLQZMGRAU-NWDGAFQWSA-N 2 2 255.362 -0.225 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC000591460622 355096410 /nfs/dbraw/zinc/09/64/10/355096410.db2.gz UAXPABLQZMGRAU-NWDGAFQWSA-N 2 2 255.362 -0.225 20 0 CBADLP C[C@H]1COCC[NH+]1CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000591460622 355096411 /nfs/dbraw/zinc/09/64/11/355096411.db2.gz UAXPABLQZMGRAU-NWDGAFQWSA-N 2 2 255.362 -0.225 20 0 CBADLP C[C@H]1COCC[NH+]1CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000591460622 355096413 /nfs/dbraw/zinc/09/64/13/355096413.db2.gz UAXPABLQZMGRAU-NWDGAFQWSA-N 2 2 255.362 -0.225 20 0 CBADLP COC(=O)CN(CC[NH+]1CCOCC1)C(=O)[C@H]1CCC[NH2+]1 ZINC000592560398 355164698 /nfs/dbraw/zinc/16/46/98/355164698.db2.gz MMFCWZJYKCQXLT-GFCCVEGCSA-N 2 2 299.371 -0.928 20 0 CBADLP COC(=O)[C@@H]1C[C@H](O)C[N@H+](CCn2cc[nH+]c2)C1 ZINC000592193351 355138033 /nfs/dbraw/zinc/13/80/33/355138033.db2.gz FEOCZPYYEIOEAA-MNOVXSKESA-N 2 2 253.302 -0.261 20 0 CBADLP COC(=O)[C@@H]1C[C@H](O)C[N@@H+](CCn2cc[nH+]c2)C1 ZINC000592193351 355138036 /nfs/dbraw/zinc/13/80/36/355138036.db2.gz FEOCZPYYEIOEAA-MNOVXSKESA-N 2 2 253.302 -0.261 20 0 CBADLP COC(=O)CN(C)C(=O)CC[N@@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000592475250 355156610 /nfs/dbraw/zinc/15/66/10/355156610.db2.gz FKHRJKMKPHBXGE-WDEREUQCSA-N 2 2 287.360 -0.944 20 0 CBADLP COC(=O)CN(C)C(=O)CC[N@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000592475250 355156612 /nfs/dbraw/zinc/15/66/12/355156612.db2.gz FKHRJKMKPHBXGE-WDEREUQCSA-N 2 2 287.360 -0.944 20 0 CBADLP COC(=O)[C@H]1C[NH2+]CCCN1CC[N@@H+]1CCO[C@H](C)C1 ZINC000592487546 355157566 /nfs/dbraw/zinc/15/75/66/355157566.db2.gz UPVTZEDVBLDORU-CHWSQXEVSA-N 2 2 285.388 -0.456 20 0 CBADLP COC(=O)[C@H]1C[NH2+]CCCN1CC[N@H+]1CCO[C@H](C)C1 ZINC000592487546 355157567 /nfs/dbraw/zinc/15/75/67/355157567.db2.gz UPVTZEDVBLDORU-CHWSQXEVSA-N 2 2 285.388 -0.456 20 0 CBADLP CCOC(=O)c1cc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)[nH]n1 ZINC000592506906 355158851 /nfs/dbraw/zinc/15/88/51/355158851.db2.gz SKCWZAIWBBNPCC-CYBMUJFWSA-N 2 2 282.344 -0.257 20 0 CBADLP CCOC(=O)c1cc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)[nH]n1 ZINC000592506906 355158857 /nfs/dbraw/zinc/15/88/57/355158857.db2.gz SKCWZAIWBBNPCC-CYBMUJFWSA-N 2 2 282.344 -0.257 20 0 CBADLP COC(=O)[C@@H]1C[NH2+]CCCN1CC[NH+]1CCOCC1 ZINC000592984593 355188842 /nfs/dbraw/zinc/18/88/42/355188842.db2.gz QTWRGXUFKQWPNH-LBPRGKRZSA-N 2 2 271.361 -0.845 20 0 CBADLP COC(=O)CCC[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593049523 355191014 /nfs/dbraw/zinc/19/10/14/355191014.db2.gz AVYLNCRIWRPMRS-UHFFFAOYSA-N 2 2 271.361 -0.355 20 0 CBADLP COC(=O)CCC[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593049523 355191016 /nfs/dbraw/zinc/19/10/16/355191016.db2.gz AVYLNCRIWRPMRS-UHFFFAOYSA-N 2 2 271.361 -0.355 20 0 CBADLP CC[C@](C)(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C(=O)OC ZINC000593903670 355225895 /nfs/dbraw/zinc/22/58/95/355225895.db2.gz JLDYAPRJMHAPJN-CABZTGNLSA-N 2 2 259.350 -0.277 20 0 CBADLP COC(=O)[C@H](CC(C)C)NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000593901789 355226364 /nfs/dbraw/zinc/22/63/64/355226364.db2.gz IMEUVGOGGHKUKM-MNOVXSKESA-N 2 2 273.377 -0.031 20 0 CBADLP COC(=O)[C@]1(C)CCCN1C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000593905853 355226935 /nfs/dbraw/zinc/22/69/35/355226935.db2.gz CPBMPKVNVXJTOZ-GWCFXTLKSA-N 2 2 271.361 -0.181 20 0 CBADLP COC(=O)[C@H]1CC[C@@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000593905852 355227260 /nfs/dbraw/zinc/22/72/60/355227260.db2.gz COKGQTBWMTYABH-HBNTYKKESA-N 2 2 271.361 -0.277 20 0 CBADLP CC(C)OC(=O)[C@H](C)CNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000593909972 355228103 /nfs/dbraw/zinc/22/81/03/355228103.db2.gz OUEZKBDFWLUURF-GHMZBOCLSA-N 2 2 273.377 -0.031 20 0 CBADLP CCOC(=O)C[C@H](C)CNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000593910453 355228243 /nfs/dbraw/zinc/22/82/43/355228243.db2.gz KFQHFXRGOUFUCB-QWRGUYRKSA-N 2 2 273.377 -0.029 20 0 CBADLP COC(=O)C(C)(C)CNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000593908799 355228247 /nfs/dbraw/zinc/22/82/47/355228247.db2.gz DUHSMRWSHOFAPX-VIFPVBQESA-N 2 2 259.350 -0.419 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C(=O)OC)[C@@H]1C ZINC000593974081 355232289 /nfs/dbraw/zinc/23/22/89/355232289.db2.gz RYTBWCQISFYZRS-RWMBFGLXSA-N 2 2 288.388 -0.191 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C(=O)OC)[C@@H]1C ZINC000593974081 355232292 /nfs/dbraw/zinc/23/22/92/355232292.db2.gz RYTBWCQISFYZRS-RWMBFGLXSA-N 2 2 288.388 -0.191 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](C(=O)OC)[C@@H]1C ZINC000593974081 355232297 /nfs/dbraw/zinc/23/22/97/355232297.db2.gz RYTBWCQISFYZRS-RWMBFGLXSA-N 2 2 288.388 -0.191 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](C(=O)OC)[C@@H]1C ZINC000593974081 355232301 /nfs/dbraw/zinc/23/23/01/355232301.db2.gz RYTBWCQISFYZRS-RWMBFGLXSA-N 2 2 288.388 -0.191 20 0 CBADLP COC(=O)[C@@H]1C[N@H+](CCN2CC[NH2+]CC2)C[C@H](C)O1 ZINC000593737026 355217171 /nfs/dbraw/zinc/21/71/71/355217171.db2.gz JVDSZJSOYJDOKX-RYUDHWBXSA-N 2 2 271.361 -0.846 20 0 CBADLP COC(=O)[C@@H]1C[N@@H+](CCN2CC[NH2+]CC2)C[C@H](C)O1 ZINC000593737026 355217173 /nfs/dbraw/zinc/21/71/73/355217173.db2.gz JVDSZJSOYJDOKX-RYUDHWBXSA-N 2 2 271.361 -0.846 20 0 CBADLP CCc1nn(C)cc1C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000594736687 355259049 /nfs/dbraw/zinc/25/90/49/355259049.db2.gz LNNVOFLZOXEZGQ-RYUDHWBXSA-N 2 2 277.372 -0.274 20 0 CBADLP CCc1nn(C)cc1C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000594736687 355259053 /nfs/dbraw/zinc/25/90/53/355259053.db2.gz LNNVOFLZOXEZGQ-RYUDHWBXSA-N 2 2 277.372 -0.274 20 0 CBADLP COC[C@@](C)(CC(=O)OC)[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000595889939 355314573 /nfs/dbraw/zinc/31/45/73/355314573.db2.gz AIAUZYRBNCFUNV-CMPLNLGQSA-N 2 2 260.334 -0.467 20 0 CBADLP C[NH2+]C[C@H]1CC[N@@H+]([C@@H]2CCN(CCC(=O)OC)C2=O)C1 ZINC000595890735 355314778 /nfs/dbraw/zinc/31/47/78/355314778.db2.gz FIOJRDYJGLRSKJ-VXGBXAGGSA-N 2 2 283.372 -0.308 20 0 CBADLP C[NH2+]C[C@H]1CC[N@H+]([C@@H]2CCN(CCC(=O)OC)C2=O)C1 ZINC000595890735 355314782 /nfs/dbraw/zinc/31/47/82/355314782.db2.gz FIOJRDYJGLRSKJ-VXGBXAGGSA-N 2 2 283.372 -0.308 20 0 CBADLP COC(=O)CCN1CCC[C@H]([N@@H+]2CC[C@H]([NH3+])[C@@H]2C)C1=O ZINC000595894675 355315440 /nfs/dbraw/zinc/31/54/40/355315440.db2.gz YJYOYGHSJHVXMW-SRVKXCTJSA-N 2 2 283.372 -0.038 20 0 CBADLP COC(=O)CCN1CCC[C@H]([N@H+]2CC[C@H]([NH3+])[C@@H]2C)C1=O ZINC000595894675 355315443 /nfs/dbraw/zinc/31/54/43/355315443.db2.gz YJYOYGHSJHVXMW-SRVKXCTJSA-N 2 2 283.372 -0.038 20 0 CBADLP COC(=O)CCN1CC[C@H]([N@@H+]2CCCO[C@@H](C[NH3+])C2)C1=O ZINC000595894095 355315577 /nfs/dbraw/zinc/31/55/77/355315577.db2.gz UTEWWCHMACWNBE-RYUDHWBXSA-N 2 2 299.371 -0.800 20 0 CBADLP COC(=O)CCN1CC[C@H]([N@H+]2CCCO[C@@H](C[NH3+])C2)C1=O ZINC000595894095 355315580 /nfs/dbraw/zinc/31/55/80/355315580.db2.gz UTEWWCHMACWNBE-RYUDHWBXSA-N 2 2 299.371 -0.800 20 0 CBADLP COC(=O)CCN1CCC[C@H]([N@@H+]2CC3CC2(C[NH3+])C3)C1=O ZINC000595903775 355316518 /nfs/dbraw/zinc/31/65/18/355316518.db2.gz WONRBLIOAPAVGC-AVERBVTBSA-N 2 2 295.383 -0.036 20 0 CBADLP COC(=O)CCN1CCC[C@H]([N@H+]2CC3CC2(C[NH3+])C3)C1=O ZINC000595903775 355316523 /nfs/dbraw/zinc/31/65/23/355316523.db2.gz WONRBLIOAPAVGC-AVERBVTBSA-N 2 2 295.383 -0.036 20 0 CBADLP COC(=O)CCN1CC[C@H]([N@H+](C)CC(C)(C)[NH3+])C1=O ZINC000595901464 355316585 /nfs/dbraw/zinc/31/65/85/355316585.db2.gz WMTCNZHINRUEPK-JTQLQIEISA-N 2 2 271.361 -0.181 20 0 CBADLP COC(=O)CCN1CC[C@H]([N@@H+](C)CC(C)(C)[NH3+])C1=O ZINC000595901464 355316588 /nfs/dbraw/zinc/31/65/88/355316588.db2.gz WMTCNZHINRUEPK-JTQLQIEISA-N 2 2 271.361 -0.181 20 0 CBADLP COC(=O)c1occc1CNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000595942177 355323232 /nfs/dbraw/zinc/32/32/32/355323232.db2.gz BGUKNMZOOFALPZ-JTQLQIEISA-N 2 2 283.328 -0.039 20 0 CBADLP COC(=O)CCCN(C)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000595971525 355331187 /nfs/dbraw/zinc/33/11/87/355331187.db2.gz OVDGVCOPKJEINW-JTQLQIEISA-N 2 2 259.350 -0.323 20 0 CBADLP COC(=O)C[C@H](CNC(=O)[C@H]([NH3+])CC[NH+](C)C)C1CC1 ZINC000595972270 355332567 /nfs/dbraw/zinc/33/25/67/355332567.db2.gz KONZTGPPELPWRH-VXGBXAGGSA-N 2 2 285.388 -0.029 20 0 CBADLP CC[S@](=O)CC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000598770824 355453241 /nfs/dbraw/zinc/45/32/41/355453241.db2.gz YYWATINMKBISLW-SFHVURJKSA-N 2 2 277.434 -0.245 20 0 CBADLP CC[S@](=O)CC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000598770824 355453247 /nfs/dbraw/zinc/45/32/47/355453247.db2.gz YYWATINMKBISLW-SFHVURJKSA-N 2 2 277.434 -0.245 20 0 CBADLP COC(=O)[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[N@H+](C)C1 ZINC000598792228 355454291 /nfs/dbraw/zinc/45/42/91/355454291.db2.gz IERCKACRYNTXPQ-LLVKDONJSA-N 2 2 294.355 -0.095 20 0 CBADLP COC(=O)[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[N@@H+](C)C1 ZINC000598792228 355454294 /nfs/dbraw/zinc/45/42/94/355454294.db2.gz IERCKACRYNTXPQ-LLVKDONJSA-N 2 2 294.355 -0.095 20 0 CBADLP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000599018208 355460095 /nfs/dbraw/zinc/46/00/95/355460095.db2.gz HIKWNYFNLWEHAM-WRWGMCAJSA-N 2 2 256.346 -0.160 20 0 CBADLP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000599018208 355460100 /nfs/dbraw/zinc/46/01/00/355460100.db2.gz HIKWNYFNLWEHAM-WRWGMCAJSA-N 2 2 256.346 -0.160 20 0 CBADLP C[NH+]1CCN(CC(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000599291219 355477118 /nfs/dbraw/zinc/47/71/18/355477118.db2.gz SXLUDFCBKJCERR-UHFFFAOYSA-N 2 2 284.404 -0.928 20 0 CBADLP CCN1CC[NH+]([C@H]2CCN(C(=O)N[C@@H]3CC[NH2+]C3)C2)CC1 ZINC000599941395 355519825 /nfs/dbraw/zinc/51/98/25/355519825.db2.gz ZLJRZGFVRMQBCF-KGLIPLIRSA-N 2 2 295.431 -0.230 20 0 CBADLP O=C(C[NH2+][C@]12CCC[C@@H]1C[NH2+]C2)NC(=O)NC1CC1 ZINC000601332793 355588129 /nfs/dbraw/zinc/58/81/29/355588129.db2.gz NMYKHIKDTZJHMS-RNCFNFMXSA-N 2 2 266.345 -0.294 20 0 CBADLP COC(=O)CCNC(=O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601334937 355588138 /nfs/dbraw/zinc/58/81/38/355588138.db2.gz OUIDGNOYPJIOAC-NWDGAFQWSA-N 2 2 283.372 -0.260 20 0 CBADLP COC(=O)CCNC(=O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601334937 355588142 /nfs/dbraw/zinc/58/81/42/355588142.db2.gz OUIDGNOYPJIOAC-NWDGAFQWSA-N 2 2 283.372 -0.260 20 0 CBADLP CNC(=O)NC(=O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601334665 355588299 /nfs/dbraw/zinc/58/82/99/355588299.db2.gz MDRSPOPTQCAPQL-VHSXEESVSA-N 2 2 254.334 -0.484 20 0 CBADLP CNC(=O)NC(=O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601334665 355588303 /nfs/dbraw/zinc/58/83/03/355588303.db2.gz MDRSPOPTQCAPQL-VHSXEESVSA-N 2 2 254.334 -0.484 20 0 CBADLP COC(=O)[C@@H]1C[N@H+](CCN2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000600730230 355563208 /nfs/dbraw/zinc/56/32/08/355563208.db2.gz JVDSZJSOYJDOKX-NEPJUHHUSA-N 2 2 271.361 -0.846 20 0 CBADLP COC(=O)[C@@H]1C[N@@H+](CCN2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000600730230 355563210 /nfs/dbraw/zinc/56/32/10/355563210.db2.gz JVDSZJSOYJDOKX-NEPJUHHUSA-N 2 2 271.361 -0.846 20 0 CBADLP CSC[C@H](O)C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000600752565 355565262 /nfs/dbraw/zinc/56/52/62/355565262.db2.gz CTJZWCPBZAMIHX-MNOVXSKESA-N 2 2 275.418 -0.360 20 0 CBADLP CSC[C@H](O)C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000600752565 355565265 /nfs/dbraw/zinc/56/52/65/355565265.db2.gz CTJZWCPBZAMIHX-MNOVXSKESA-N 2 2 275.418 -0.360 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000600953209 355571405 /nfs/dbraw/zinc/57/14/05/355571405.db2.gz OINUGIZNPGYDGK-AWEZNQCLSA-N 2 2 296.415 -0.249 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000600953209 355571407 /nfs/dbraw/zinc/57/14/07/355571407.db2.gz OINUGIZNPGYDGK-AWEZNQCLSA-N 2 2 296.415 -0.249 20 0 CBADLP C[NH+]1CCN(CC(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000600996915 355574777 /nfs/dbraw/zinc/57/47/77/355574777.db2.gz MSKTUQSTAOYGPT-UHFFFAOYSA-N 2 2 298.431 -0.539 20 0 CBADLP C[NH+]1CCN(CC(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000600996915 355574781 /nfs/dbraw/zinc/57/47/81/355574781.db2.gz MSKTUQSTAOYGPT-UHFFFAOYSA-N 2 2 298.431 -0.539 20 0 CBADLP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)Cn1c[nH+]cc1C ZINC000602490557 355652772 /nfs/dbraw/zinc/65/27/72/355652772.db2.gz CJLRTKLPSQWZFG-LLVKDONJSA-N 2 2 280.328 -0.445 20 0 CBADLP COc1c(C)[nH+]cnc1N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000601983052 355624605 /nfs/dbraw/zinc/62/46/05/355624605.db2.gz KNGFBQBQMYXHBS-NXEZZACHSA-N 2 2 277.328 -0.458 20 0 CBADLP COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1CCc1c[nH+]cn1C ZINC000602815559 355673148 /nfs/dbraw/zinc/67/31/48/355673148.db2.gz LQMLMVINQQRGAA-GHMZBOCLSA-N 2 2 253.302 -0.429 20 0 CBADLP COC(=O)[C@H]1C[C@@H](O)C[N@H+]1CCc1c[nH+]cn1C ZINC000602815559 355673151 /nfs/dbraw/zinc/67/31/51/355673151.db2.gz LQMLMVINQQRGAA-GHMZBOCLSA-N 2 2 253.302 -0.429 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCCC(N)=O)C2)CC1 ZINC000604167341 355723354 /nfs/dbraw/zinc/72/33/54/355723354.db2.gz SSNRYUNBHUBYKT-NSHDSACASA-N 2 2 297.403 -0.671 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCCC(N)=O)C2)CC1 ZINC000604167341 355723356 /nfs/dbraw/zinc/72/33/56/355723356.db2.gz SSNRYUNBHUBYKT-NSHDSACASA-N 2 2 297.403 -0.671 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCCO)C2)CC1 ZINC000604207762 355723515 /nfs/dbraw/zinc/72/35/15/355723515.db2.gz COCNCVXAGIBDKF-NSHDSACASA-N 2 2 270.377 -0.554 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCCO)C2)CC1 ZINC000604207762 355723517 /nfs/dbraw/zinc/72/35/17/355723517.db2.gz COCNCVXAGIBDKF-NSHDSACASA-N 2 2 270.377 -0.554 20 0 CBADLP c1c[nH]c(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)n1 ZINC000604418198 355725288 /nfs/dbraw/zinc/72/52/88/355725288.db2.gz LJSVXLRZPGEYDD-ZDUSSCGKSA-N 2 2 279.388 -0.094 20 0 CBADLP C[NH+](C)C[C@@](C)(O)CNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000612871997 355854223 /nfs/dbraw/zinc/85/42/23/355854223.db2.gz RNIOAKTUXNMEIV-YGRLFVJLSA-N 2 2 280.372 -0.057 20 0 CBADLP C[NH+](C)C[C@@](C)(O)CNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000612871997 355854226 /nfs/dbraw/zinc/85/42/26/355854226.db2.gz RNIOAKTUXNMEIV-YGRLFVJLSA-N 2 2 280.372 -0.057 20 0 CBADLP CN1CC[N@H+](C)[C@H](CNC(=O)N[C@]2(C)CC[NH2+]C2)C1 ZINC000612881187 355855108 /nfs/dbraw/zinc/85/51/08/355855108.db2.gz ZCWFOJLJXKIHHK-DGCLKSJQSA-N 2 2 269.393 -0.717 20 0 CBADLP CN1CC[N@@H+](C)[C@H](CNC(=O)N[C@]2(C)CC[NH2+]C2)C1 ZINC000612881187 355855113 /nfs/dbraw/zinc/85/51/13/355855113.db2.gz ZCWFOJLJXKIHHK-DGCLKSJQSA-N 2 2 269.393 -0.717 20 0 CBADLP CC[N@H+](CCO)CCNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000613583909 355896620 /nfs/dbraw/zinc/89/66/20/355896620.db2.gz XOEFVDQOANNCTL-LLVKDONJSA-N 2 2 280.372 -0.055 20 0 CBADLP CC[N@@H+](CCO)CCNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000613583909 355896625 /nfs/dbraw/zinc/89/66/25/355896625.db2.gz XOEFVDQOANNCTL-LLVKDONJSA-N 2 2 280.372 -0.055 20 0 CBADLP CC[N@H+](CCO)CCNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000613583909 355896629 /nfs/dbraw/zinc/89/66/29/355896629.db2.gz XOEFVDQOANNCTL-LLVKDONJSA-N 2 2 280.372 -0.055 20 0 CBADLP CC[N@@H+](CCO)CCNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000613583909 355896634 /nfs/dbraw/zinc/89/66/34/355896634.db2.gz XOEFVDQOANNCTL-LLVKDONJSA-N 2 2 280.372 -0.055 20 0 CBADLP C[NH+](C)C[C@H](CO)NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000614855840 355993183 /nfs/dbraw/zinc/99/31/83/355993183.db2.gz ZUBXYSBGAPWRTR-SNVBAGLBSA-N 2 2 290.327 -0.685 20 0 CBADLP CC[N@@H+]1CCOC[C@@H]1C(=O)N1CC(C[NH+](C)C)C1 ZINC000615504766 356036790 /nfs/dbraw/zinc/03/67/90/356036790.db2.gz WGYCNQNWLUKDTR-GFCCVEGCSA-N 2 2 255.362 -0.273 20 0 CBADLP CC[N@H+]1CCOC[C@@H]1C(=O)N1CC(C[NH+](C)C)C1 ZINC000615504766 356036797 /nfs/dbraw/zinc/03/67/97/356036797.db2.gz WGYCNQNWLUKDTR-GFCCVEGCSA-N 2 2 255.362 -0.273 20 0 CBADLP C[C@@H]1CN(C(=O)C2([NH+](C)C)CC2)C[C@H](C)[N@H+]1CCO ZINC000615864543 356057171 /nfs/dbraw/zinc/05/71/71/356057171.db2.gz UYAANULCGCKYKG-TXEJJXNPSA-N 2 2 269.389 -0.006 20 0 CBADLP C[C@@H]1CN(C(=O)C2([NH+](C)C)CC2)C[C@H](C)[N@@H+]1CCO ZINC000615864543 356057174 /nfs/dbraw/zinc/05/71/74/356057174.db2.gz UYAANULCGCKYKG-TXEJJXNPSA-N 2 2 269.389 -0.006 20 0 CBADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)C2 ZINC000615080264 356008638 /nfs/dbraw/zinc/00/86/38/356008638.db2.gz QMDOXSWKCMNWGA-BPNCWPANSA-N 2 2 292.383 -0.044 20 0 CBADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)CC2 ZINC000615080264 356008641 /nfs/dbraw/zinc/00/86/41/356008641.db2.gz QMDOXSWKCMNWGA-BPNCWPANSA-N 2 2 292.383 -0.044 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N1CC(C[NH+]2CCOCC2)C1 ZINC000615149245 356012208 /nfs/dbraw/zinc/01/22/08/356012208.db2.gz XGULUSAYFYBWFR-UHFFFAOYSA-N 2 2 278.356 -0.018 20 0 CBADLP C[C@H]1C[N@H+](CCO)CCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000616153877 356069122 /nfs/dbraw/zinc/06/91/22/356069122.db2.gz CTPWMUMXUHKWOY-QWHCGFSZSA-N 2 2 292.383 -0.030 20 0 CBADLP C[C@H]1C[N@@H+](CCO)CCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000616153877 356069123 /nfs/dbraw/zinc/06/91/23/356069123.db2.gz CTPWMUMXUHKWOY-QWHCGFSZSA-N 2 2 292.383 -0.030 20 0 CBADLP Cc1nnc(CC(=O)NCC[N@@H+](C)CCC[NH+](C)C)[nH]1 ZINC000617762000 356155477 /nfs/dbraw/zinc/15/54/77/356155477.db2.gz DXSTYLGWAWYZHN-UHFFFAOYSA-N 2 2 282.392 -0.345 20 0 CBADLP Cc1nnc(CC(=O)NCC[N@H+](C)CCC[NH+](C)C)[nH]1 ZINC000617762000 356155481 /nfs/dbraw/zinc/15/54/81/356155481.db2.gz DXSTYLGWAWYZHN-UHFFFAOYSA-N 2 2 282.392 -0.345 20 0 CBADLP Cc1nc(CC(=O)NCC[N@@H+](C)CCC[NH+](C)C)n[nH]1 ZINC000617762000 356155486 /nfs/dbraw/zinc/15/54/86/356155486.db2.gz DXSTYLGWAWYZHN-UHFFFAOYSA-N 2 2 282.392 -0.345 20 0 CBADLP Cc1nc(CC(=O)NCC[N@H+](C)CCC[NH+](C)C)n[nH]1 ZINC000617762000 356155490 /nfs/dbraw/zinc/15/54/90/356155490.db2.gz DXSTYLGWAWYZHN-UHFFFAOYSA-N 2 2 282.392 -0.345 20 0 CBADLP CN1CC[C@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)C1=O ZINC000617764670 356155499 /nfs/dbraw/zinc/15/54/99/356155499.db2.gz BTMIUGJGZAINFK-GFCCVEGCSA-N 2 2 284.404 -0.536 20 0 CBADLP CN1CC[C@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)C1=O ZINC000617764670 356155504 /nfs/dbraw/zinc/15/55/04/356155504.db2.gz BTMIUGJGZAINFK-GFCCVEGCSA-N 2 2 284.404 -0.536 20 0 CBADLP CC(=O)NCCC[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000619741640 356226616 /nfs/dbraw/zinc/22/66/16/356226616.db2.gz BEJXPBIUJWTQKZ-MBNYWOFBSA-N 2 2 287.404 -0.428 20 0 CBADLP CC(=O)NCCC[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000619741640 356226619 /nfs/dbraw/zinc/22/66/19/356226619.db2.gz BEJXPBIUJWTQKZ-MBNYWOFBSA-N 2 2 287.404 -0.428 20 0 CBADLP CC(=O)NCCC[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000619741636 356226766 /nfs/dbraw/zinc/22/67/66/356226766.db2.gz BEJXPBIUJWTQKZ-BZPMIXESSA-N 2 2 287.404 -0.428 20 0 CBADLP C[C@@H](C(=O)NC(N)=O)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000618903217 356198650 /nfs/dbraw/zinc/19/86/50/356198650.db2.gz CBZFAZSGORSPOW-QMMMGPOBSA-N 2 2 266.305 -0.885 20 0 CBADLP COC(=O)CNC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000177057469 291087774 /nfs/dbraw/zinc/08/77/74/291087774.db2.gz AJYAUVHJGUCOGF-MNOVXSKESA-N 2 2 271.361 -0.310 20 0 CBADLP COC(=O)CNC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000177057469 291087776 /nfs/dbraw/zinc/08/77/76/291087776.db2.gz AJYAUVHJGUCOGF-MNOVXSKESA-N 2 2 271.361 -0.310 20 0 CBADLP COC(=O)CNC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000177057469 291087778 /nfs/dbraw/zinc/08/77/78/291087778.db2.gz AJYAUVHJGUCOGF-MNOVXSKESA-N 2 2 271.361 -0.310 20 0 CBADLP COC(=O)CNC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000177057469 291087781 /nfs/dbraw/zinc/08/77/81/291087781.db2.gz AJYAUVHJGUCOGF-MNOVXSKESA-N 2 2 271.361 -0.310 20 0 CBADLP CNS(=O)(=O)CC[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000621297341 356267746 /nfs/dbraw/zinc/26/77/46/356267746.db2.gz KWLOHVNOJAJBTI-LLVKDONJSA-N 2 2 261.391 -0.437 20 0 CBADLP CNS(=O)(=O)CC[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000621297341 356267750 /nfs/dbraw/zinc/26/77/50/356267750.db2.gz KWLOHVNOJAJBTI-LLVKDONJSA-N 2 2 261.391 -0.437 20 0 CBADLP CNS(=O)(=O)CC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000621297341 356267755 /nfs/dbraw/zinc/26/77/55/356267755.db2.gz KWLOHVNOJAJBTI-LLVKDONJSA-N 2 2 261.391 -0.437 20 0 CBADLP CNS(=O)(=O)CC[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000621297341 356267757 /nfs/dbraw/zinc/26/77/57/356267757.db2.gz KWLOHVNOJAJBTI-LLVKDONJSA-N 2 2 261.391 -0.437 20 0 CBADLP C[N@@H+]1CCN(C(=O)CC[C@H]2CCC[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000621624746 356278110 /nfs/dbraw/zinc/27/81/10/356278110.db2.gz WASYUAJZYYOIEN-OLZOCXBDSA-N 3 2 268.405 -0.133 20 0 CBADLP C[N@H+]1CCN(C(=O)CC[C@H]2CCC[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000621624746 356278115 /nfs/dbraw/zinc/27/81/15/356278115.db2.gz WASYUAJZYYOIEN-OLZOCXBDSA-N 3 2 268.405 -0.133 20 0 CBADLP COC(=O)CNC(=O)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000372991480 291088360 /nfs/dbraw/zinc/08/83/60/291088360.db2.gz UDSJXTWGPQGXOE-NSHDSACASA-N 2 2 271.361 -0.308 20 0 CBADLP COC(=O)CNC(=O)C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000372991480 291088363 /nfs/dbraw/zinc/08/83/63/291088363.db2.gz UDSJXTWGPQGXOE-NSHDSACASA-N 2 2 271.361 -0.308 20 0 CBADLP COc1cc[nH+]cc1NC(=O)C(=O)NCC[C@H](C)[NH3+] ZINC000621832261 356287793 /nfs/dbraw/zinc/28/77/93/356287793.db2.gz OTEHOPIHHCBZGC-QMMMGPOBSA-N 2 2 266.301 -0.118 20 0 CBADLP [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)NCCn1cc[nH+]c1)C2 ZINC000621839686 356288653 /nfs/dbraw/zinc/28/86/53/356288653.db2.gz XBUJMEASWQRVNI-RISCZKNCSA-N 2 2 291.355 -0.661 20 0 CBADLP Cn1cc[nH+]c1CNC(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621843558 356289206 /nfs/dbraw/zinc/28/92/06/356289206.db2.gz HPQGTXKEDQLOOT-HZMBPMFUSA-N 2 2 291.355 -0.624 20 0 CBADLP C[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000622031888 356302814 /nfs/dbraw/zinc/30/28/14/356302814.db2.gz VTCIJPHUOCMNJH-SMDDNHRTSA-N 2 2 280.372 -0.900 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000622369284 356317582 /nfs/dbraw/zinc/31/75/82/356317582.db2.gz FNQFSAYURJAEOF-AWEZNQCLSA-N 2 2 299.415 -0.255 20 0 CBADLP CN1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)[C@@H](C[NH3+])C1 ZINC000623176504 356356735 /nfs/dbraw/zinc/35/67/35/356356735.db2.gz CHBKOTZSPTXEKY-NEPJUHHUSA-N 2 2 277.372 -0.453 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000623306262 356361217 /nfs/dbraw/zinc/36/12/17/356361217.db2.gz JNGAHDPZOULOBE-ZYHUDNBSSA-N 2 2 264.329 -0.355 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000623306262 356361219 /nfs/dbraw/zinc/36/12/19/356361219.db2.gz JNGAHDPZOULOBE-ZYHUDNBSSA-N 2 2 264.329 -0.355 20 0 CBADLP COC(=O)CNC(=O)[C@@H](C)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366544826 291090309 /nfs/dbraw/zinc/09/03/09/291090309.db2.gz NVHBIHMPJKOCSF-RISCZKNCSA-N 2 2 283.372 -0.308 20 0 CBADLP COC(=O)CNC(=O)[C@@H](C)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366544826 291090312 /nfs/dbraw/zinc/09/03/12/291090312.db2.gz NVHBIHMPJKOCSF-RISCZKNCSA-N 2 2 283.372 -0.308 20 0 CBADLP COC(=O)CNC(=O)[C@@H](C)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000366544826 291090315 /nfs/dbraw/zinc/09/03/15/291090315.db2.gz NVHBIHMPJKOCSF-RISCZKNCSA-N 2 2 283.372 -0.308 20 0 CBADLP COC(=O)CNC(=O)[C@@H](C)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000366544826 291090319 /nfs/dbraw/zinc/09/03/19/291090319.db2.gz NVHBIHMPJKOCSF-RISCZKNCSA-N 2 2 283.372 -0.308 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000623719415 356373367 /nfs/dbraw/zinc/37/33/67/356373367.db2.gz UFJYTKMRNVSGRF-AAEUAGOBSA-N 2 2 282.388 -0.147 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000623719415 356373369 /nfs/dbraw/zinc/37/33/69/356373369.db2.gz UFJYTKMRNVSGRF-AAEUAGOBSA-N 2 2 282.388 -0.147 20 0 CBADLP C[NH+]1CCOC[C@@H]1CNC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000623719415 356373372 /nfs/dbraw/zinc/37/33/72/356373372.db2.gz UFJYTKMRNVSGRF-AAEUAGOBSA-N 2 2 282.388 -0.147 20 0 CBADLP C[NH+]1CCOC[C@@H]1CNC(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000623719415 356373374 /nfs/dbraw/zinc/37/33/74/356373374.db2.gz UFJYTKMRNVSGRF-AAEUAGOBSA-N 2 2 282.388 -0.147 20 0 CBADLP C[C@@H]1C[N@@H+](CCCNc2nc(N)[nH+]c(N)n2)C[C@H](C)O1 ZINC000623830815 356378447 /nfs/dbraw/zinc/37/84/47/356378447.db2.gz CQMRQLUMWMTQPB-DTORHVGOSA-N 2 2 281.364 -0.970 20 0 CBADLP C[C@@H]1C[N@H+](CCCNc2nc(N)[nH+]c(N)n2)C[C@H](C)O1 ZINC000623830815 356378451 /nfs/dbraw/zinc/37/84/51/356378451.db2.gz CQMRQLUMWMTQPB-DTORHVGOSA-N 2 2 281.364 -0.970 20 0 CBADLP C[C@@H]1C[N@@H+](CCCNc2nc(N)nc(N)[nH+]2)C[C@H](C)O1 ZINC000623830815 356378455 /nfs/dbraw/zinc/37/84/55/356378455.db2.gz CQMRQLUMWMTQPB-DTORHVGOSA-N 2 2 281.364 -0.970 20 0 CBADLP C[C@@H]1C[N@H+](CCCNc2nc(N)nc(N)[nH+]2)C[C@H](C)O1 ZINC000623830815 356378457 /nfs/dbraw/zinc/37/84/57/356378457.db2.gz CQMRQLUMWMTQPB-DTORHVGOSA-N 2 2 281.364 -0.970 20 0 CBADLP C[C@@H]1C[C@@H](N(C)c2nc(N)nc(N)[nH+]2)CC[N@@H+]1C ZINC000623991986 356386592 /nfs/dbraw/zinc/38/65/92/356386592.db2.gz YIDAIAWDPFAGMB-SFYZADRCSA-N 2 2 251.338 -0.384 20 0 CBADLP C[C@@H]1C[C@@H](N(C)c2nc(N)nc(N)[nH+]2)CC[N@H+]1C ZINC000623991986 356386595 /nfs/dbraw/zinc/38/65/95/356386595.db2.gz YIDAIAWDPFAGMB-SFYZADRCSA-N 2 2 251.338 -0.384 20 0 CBADLP Nc1nc(N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)nc(N)[nH+]1 ZINC000624039056 356391661 /nfs/dbraw/zinc/39/16/61/356391661.db2.gz YEKBBDYGHWPFNC-ZJUUUORDSA-N 2 2 293.375 -0.826 20 0 CBADLP C[C@H](CC(=O)N(C)C)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000624084904 356395562 /nfs/dbraw/zinc/39/55/62/356395562.db2.gz WYEPARJDJWHEHQ-NEPJUHHUSA-N 2 2 284.404 -0.217 20 0 CBADLP C[C@H](CC(=O)N(C)C)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000624084904 356395567 /nfs/dbraw/zinc/39/55/67/356395567.db2.gz WYEPARJDJWHEHQ-NEPJUHHUSA-N 2 2 284.404 -0.217 20 0 CBADLP C[C@@H](C1CC[NH+](C)CC1)N(C)c1nc(N)nc(N)[nH+]1 ZINC000624088658 356396758 /nfs/dbraw/zinc/39/67/58/356396758.db2.gz QHAHNHCLFDVLKE-QMMMGPOBSA-N 2 2 265.365 -0.137 20 0 CBADLP C[C@@H]1C[N@@H+](CCN(C)c2nc(N)[nH+]c(N)n2)C[C@H](C)O1 ZINC000624167910 356401154 /nfs/dbraw/zinc/40/11/54/356401154.db2.gz REUSCQQFJSJMRH-DTORHVGOSA-N 2 2 281.364 -0.758 20 0 CBADLP C[C@@H]1C[N@H+](CCN(C)c2nc(N)[nH+]c(N)n2)C[C@H](C)O1 ZINC000624167910 356401156 /nfs/dbraw/zinc/40/11/56/356401156.db2.gz REUSCQQFJSJMRH-DTORHVGOSA-N 2 2 281.364 -0.758 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)N1CC[NH+]2CCC1CC2 ZINC000624738108 356437130 /nfs/dbraw/zinc/43/71/30/356437130.db2.gz MIFIYUUXNOAIHX-CYBMUJFWSA-N 2 2 282.388 -0.193 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)N1CC[NH+]2CCC1CC2 ZINC000624738108 356437134 /nfs/dbraw/zinc/43/71/34/356437134.db2.gz MIFIYUUXNOAIHX-CYBMUJFWSA-N 2 2 282.388 -0.193 20 0 CBADLP COC[C@H](O)C[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000625546062 356473557 /nfs/dbraw/zinc/47/35/57/356473557.db2.gz MTIJAPOJFDXQRD-CYBMUJFWSA-N 2 2 258.362 -0.210 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)CC1(C)COC1 ZINC000625791059 356493150 /nfs/dbraw/zinc/49/31/50/356493150.db2.gz HMTJTNSSHDIVKK-LBPRGKRZSA-N 2 2 260.378 -0.106 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)CC1(C)COC1 ZINC000625791059 356493153 /nfs/dbraw/zinc/49/31/53/356493153.db2.gz HMTJTNSSHDIVKK-LBPRGKRZSA-N 2 2 260.378 -0.106 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)CC1(C)COC1 ZINC000625791059 356493154 /nfs/dbraw/zinc/49/31/54/356493154.db2.gz HMTJTNSSHDIVKK-LBPRGKRZSA-N 2 2 260.378 -0.106 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)CC1(C)COC1 ZINC000625791059 356493157 /nfs/dbraw/zinc/49/31/57/356493157.db2.gz HMTJTNSSHDIVKK-LBPRGKRZSA-N 2 2 260.378 -0.106 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000625898786 356496824 /nfs/dbraw/zinc/49/68/24/356496824.db2.gz BRCLRBXOIHPKSK-YUMQZZPRSA-N 2 2 284.282 -0.494 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000625898786 356496827 /nfs/dbraw/zinc/49/68/27/356496827.db2.gz BRCLRBXOIHPKSK-YUMQZZPRSA-N 2 2 284.282 -0.494 20 0 CBADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H]1C[C@@H](O)C1 ZINC000626043053 356502997 /nfs/dbraw/zinc/50/29/97/356502997.db2.gz FJHOOGXYDFQGCQ-TXEJJXNPSA-N 2 2 255.362 -0.537 20 0 CBADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H]1C[C@@H](O)C1 ZINC000626043053 356503001 /nfs/dbraw/zinc/50/30/01/356503001.db2.gz FJHOOGXYDFQGCQ-TXEJJXNPSA-N 2 2 255.362 -0.537 20 0 CBADLP [NH3+]CCCOCCNC(=O)NCCCn1cc[nH+]c1 ZINC000626917685 356555959 /nfs/dbraw/zinc/55/59/59/356555959.db2.gz KQKORCXVJFMPOL-UHFFFAOYSA-N 2 2 269.349 -0.062 20 0 CBADLP CN(CCOCC[NH3+])C(=O)NCCCn1cc[nH+]c1 ZINC000626918109 356556005 /nfs/dbraw/zinc/55/60/05/356556005.db2.gz UTKSZWHKWZGQSP-UHFFFAOYSA-N 2 2 269.349 -0.110 20 0 CBADLP O=C(NCCn1cc[nH+]c1)NC[C@H]1COCC[NH2+]1 ZINC000626923345 356556077 /nfs/dbraw/zinc/55/60/77/356556077.db2.gz RCLQHBRUPKVHNF-JTQLQIEISA-N 2 2 253.306 -0.829 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N(C)CCOCC[NH3+] ZINC000626939404 356558015 /nfs/dbraw/zinc/55/80/15/356558015.db2.gz BXWSKUBTTOJPAX-LLVKDONJSA-N 2 2 269.349 -0.112 20 0 CBADLP Cn1cc[nH+]c1CNC(=O)NCCOCCC[NH3+] ZINC000626969541 356560338 /nfs/dbraw/zinc/56/03/38/356560338.db2.gz YGFICCXJIYNSBZ-UHFFFAOYSA-N 2 2 255.322 -0.415 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N(C)CCOCC[NH3+] ZINC000626969703 356561063 /nfs/dbraw/zinc/56/10/63/356561063.db2.gz CRBRIJAWPWCYKB-LBPRGKRZSA-N 2 2 288.392 -0.676 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)N(C)CCOCC[NH3+] ZINC000626969703 356561067 /nfs/dbraw/zinc/56/10/67/356561067.db2.gz CRBRIJAWPWCYKB-LBPRGKRZSA-N 2 2 288.392 -0.676 20 0 CBADLP C[C@@H]1CC[C@@H](NC(=O)NC[C@H]2CN(C)CC[N@@H+]2C)C[NH2+]1 ZINC000626974630 356561615 /nfs/dbraw/zinc/56/16/15/356561615.db2.gz JPGIGVNINXNPEN-UPJWGTAASA-N 2 2 283.420 -0.328 20 0 CBADLP C[C@@H]1CC[C@@H](NC(=O)NC[C@H]2CN(C)CC[N@H+]2C)C[NH2+]1 ZINC000626974630 356561617 /nfs/dbraw/zinc/56/16/17/356561617.db2.gz JPGIGVNINXNPEN-UPJWGTAASA-N 2 2 283.420 -0.328 20 0 CBADLP Cn1c[nH+]c(CCNC(=O)NCCOCCC[NH3+])c1 ZINC000627056955 356570533 /nfs/dbraw/zinc/57/05/33/356570533.db2.gz FUQKCMPXFHKWGI-UHFFFAOYSA-N 2 2 269.349 -0.373 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000627072813 356573291 /nfs/dbraw/zinc/57/32/91/356573291.db2.gz ADXLEYJEXUJMEW-WDEREUQCSA-N 2 2 256.350 -0.632 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000627072813 356573296 /nfs/dbraw/zinc/57/32/96/356573296.db2.gz ADXLEYJEXUJMEW-WDEREUQCSA-N 2 2 256.350 -0.632 20 0 CBADLP [NH3+]CCNC(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000627065921 356571444 /nfs/dbraw/zinc/57/14/44/356571444.db2.gz HHTOAWLVEVYVFB-ZDUSSCGKSA-N 2 2 293.371 -0.460 20 0 CBADLP [NH3+]CCNC(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000627065921 356571446 /nfs/dbraw/zinc/57/14/46/356571446.db2.gz HHTOAWLVEVYVFB-ZDUSSCGKSA-N 2 2 293.371 -0.460 20 0 CBADLP CC(C)C[C@H](C[NH3+])NC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000627080606 356577477 /nfs/dbraw/zinc/57/74/77/356577477.db2.gz MBFOFPLNDPVYBE-NEPJUHHUSA-N 2 2 272.393 -0.010 20 0 CBADLP CC(C)C[C@H](C[NH3+])NC(=O)NC[C@H]1COCC[N@H+]1C ZINC000627080606 356577479 /nfs/dbraw/zinc/57/74/79/356577479.db2.gz MBFOFPLNDPVYBE-NEPJUHHUSA-N 2 2 272.393 -0.010 20 0 CBADLP CO[C@H]1C[C@@H](CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])C1 ZINC000627253614 356615088 /nfs/dbraw/zinc/61/50/88/356615088.db2.gz DCMANMQISXFGAV-UTUOFQBUSA-N 2 2 270.377 -0.304 20 0 CBADLP CO[C@H]1C[C@@H](CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])C1 ZINC000627253614 356615090 /nfs/dbraw/zinc/61/50/90/356615090.db2.gz DCMANMQISXFGAV-UTUOFQBUSA-N 2 2 270.377 -0.304 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000627182676 356595252 /nfs/dbraw/zinc/59/52/52/356595252.db2.gz JBEJYDHJERPQAQ-RYUDHWBXSA-N 2 2 286.376 -0.924 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000627182676 356595255 /nfs/dbraw/zinc/59/52/55/356595255.db2.gz JBEJYDHJERPQAQ-RYUDHWBXSA-N 2 2 286.376 -0.924 20 0 CBADLP C[C@H]([NH3+])[C@@H]1CN(C(=O)NC[C@H]2COCC[N@@H+]2C)CCO1 ZINC000627182605 356595304 /nfs/dbraw/zinc/59/53/04/356595304.db2.gz BBWFYPKRYBWOQN-SRVKXCTJSA-N 2 2 286.376 -0.925 20 0 CBADLP C[C@H]([NH3+])[C@@H]1CN(C(=O)NC[C@H]2COCC[N@H+]2C)CCO1 ZINC000627182605 356595308 /nfs/dbraw/zinc/59/53/08/356595308.db2.gz BBWFYPKRYBWOQN-SRVKXCTJSA-N 2 2 286.376 -0.925 20 0 CBADLP C[C@@H]1CN(C(=O)NC[C@@H]2COCC[N@@H+]2C)[C@@H](C)C[NH2+]1 ZINC000627183197 356595727 /nfs/dbraw/zinc/59/57/27/356595727.db2.gz HXHULEKAEDJEQG-GRYCIOLGSA-N 2 2 270.377 -0.291 20 0 CBADLP C[C@@H]1CN(C(=O)NC[C@@H]2COCC[N@H+]2C)[C@@H](C)C[NH2+]1 ZINC000627183197 356595729 /nfs/dbraw/zinc/59/57/29/356595729.db2.gz HXHULEKAEDJEQG-GRYCIOLGSA-N 2 2 270.377 -0.291 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)NC1(C)CC[NH2+]CC1 ZINC000627183708 356595974 /nfs/dbraw/zinc/59/59/74/356595974.db2.gz MJJKGSNNJCLQBP-LLVKDONJSA-N 2 2 270.377 -0.242 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)NC1(C)CC[NH2+]CC1 ZINC000627183708 356595980 /nfs/dbraw/zinc/59/59/80/356595980.db2.gz MJJKGSNNJCLQBP-LLVKDONJSA-N 2 2 270.377 -0.242 20 0 CBADLP C[NH2+][C@@H]1CCCN(C(=O)NC[C@H]2COCC[N@@H+]2C)C1 ZINC000627183540 356595989 /nfs/dbraw/zinc/59/59/89/356595989.db2.gz LUQMCNKSCMLXIX-NEPJUHHUSA-N 2 2 270.377 -0.290 20 0 CBADLP C[NH2+][C@@H]1CCCN(C(=O)NC[C@H]2COCC[N@H+]2C)C1 ZINC000627183540 356595995 /nfs/dbraw/zinc/59/59/95/356595995.db2.gz LUQMCNKSCMLXIX-NEPJUHHUSA-N 2 2 270.377 -0.290 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000627182890 356596144 /nfs/dbraw/zinc/59/61/44/356596144.db2.gz LPJWWLALHHKFFJ-JQWIXIFHSA-N 2 2 256.350 -0.632 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000627182890 356596148 /nfs/dbraw/zinc/59/61/48/356596148.db2.gz LPJWWLALHHKFFJ-JQWIXIFHSA-N 2 2 256.350 -0.632 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CC2CC1(C[NH3+])C2 ZINC000627183577 356596158 /nfs/dbraw/zinc/59/61/58/356596158.db2.gz UOKCPEIHPUAWLF-AKJDGMEZSA-N 2 2 268.361 -0.550 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N1CC2CC1(C[NH3+])C2 ZINC000627183577 356596163 /nfs/dbraw/zinc/59/61/63/356596163.db2.gz UOKCPEIHPUAWLF-AKJDGMEZSA-N 2 2 268.361 -0.550 20 0 CBADLP C[C@H]([NH3+])[C@H]1CCN(C(=O)NC[C@H]2COCC[N@@H+]2C)C1 ZINC000627182752 356596189 /nfs/dbraw/zinc/59/61/89/356596189.db2.gz CTURUQBIMPAKDP-SRVKXCTJSA-N 2 2 270.377 -0.304 20 0 CBADLP C[C@H]([NH3+])[C@H]1CCN(C(=O)NC[C@H]2COCC[N@H+]2C)C1 ZINC000627182752 356596194 /nfs/dbraw/zinc/59/61/94/356596194.db2.gz CTURUQBIMPAKDP-SRVKXCTJSA-N 2 2 270.377 -0.304 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000627182894 356596239 /nfs/dbraw/zinc/59/62/39/356596239.db2.gz LPJWWLALHHKFFJ-ZYHUDNBSSA-N 2 2 256.350 -0.632 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000627182894 356596244 /nfs/dbraw/zinc/59/62/44/356596244.db2.gz LPJWWLALHHKFFJ-ZYHUDNBSSA-N 2 2 256.350 -0.632 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000627182888 356596677 /nfs/dbraw/zinc/59/66/77/356596677.db2.gz LPJWWLALHHKFFJ-CMPLNLGQSA-N 2 2 256.350 -0.632 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000627182888 356596679 /nfs/dbraw/zinc/59/66/79/356596679.db2.gz LPJWWLALHHKFFJ-CMPLNLGQSA-N 2 2 256.350 -0.632 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000627183859 356596724 /nfs/dbraw/zinc/59/67/24/356596724.db2.gz OMPDQYFPBWONFX-GHMZBOCLSA-N 2 2 256.350 -0.550 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000627183859 356596726 /nfs/dbraw/zinc/59/67/26/356596726.db2.gz OMPDQYFPBWONFX-GHMZBOCLSA-N 2 2 256.350 -0.550 20 0 CBADLP C[NH2+][C@H]1CCN(C(=O)NC[C@H]2COCC[N@@H+]2C)C1 ZINC000627184068 356597437 /nfs/dbraw/zinc/59/74/37/356597437.db2.gz RGYQZSSKEYVHHV-QWRGUYRKSA-N 2 2 256.350 -0.680 20 0 CBADLP C[NH2+][C@H]1CCN(C(=O)NC[C@H]2COCC[N@H+]2C)C1 ZINC000627184068 356597440 /nfs/dbraw/zinc/59/74/40/356597440.db2.gz RGYQZSSKEYVHHV-QWRGUYRKSA-N 2 2 256.350 -0.680 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000627183944 356597550 /nfs/dbraw/zinc/59/75/50/356597550.db2.gz PMHWCVRCPXAWKW-XQQFMLRXSA-N 2 2 282.388 -0.147 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000627183944 356597553 /nfs/dbraw/zinc/59/75/53/356597553.db2.gz PMHWCVRCPXAWKW-XQQFMLRXSA-N 2 2 282.388 -0.147 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CCC(C)([NH3+])CC1 ZINC000627184369 356597687 /nfs/dbraw/zinc/59/76/87/356597687.db2.gz WFWLHTPZKPBOPZ-NSHDSACASA-N 2 2 270.377 -0.160 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N1CCC(C)([NH3+])CC1 ZINC000627184369 356597689 /nfs/dbraw/zinc/59/76/89/356597689.db2.gz WFWLHTPZKPBOPZ-NSHDSACASA-N 2 2 270.377 -0.160 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000627184207 356597855 /nfs/dbraw/zinc/59/78/55/356597855.db2.gz UHXKEHWBRAWSIJ-AGIUHOORSA-N 2 2 282.388 -0.290 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000627184207 356597856 /nfs/dbraw/zinc/59/78/56/356597856.db2.gz UHXKEHWBRAWSIJ-AGIUHOORSA-N 2 2 282.388 -0.290 20 0 CBADLP C[C@@H]1CC[C@H](NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])C[NH2+]1 ZINC000627208018 356605075 /nfs/dbraw/zinc/60/50/75/356605075.db2.gz VOSVOXPMYLJOAW-GRYCIOLGSA-N 3 2 269.393 -0.589 20 0 CBADLP C[C@@H]1CC[C@H](NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])C[NH2+]1 ZINC000627208018 356605078 /nfs/dbraw/zinc/60/50/78/356605078.db2.gz VOSVOXPMYLJOAW-GRYCIOLGSA-N 3 2 269.393 -0.589 20 0 CBADLP CC1(C)C[NH+](CC(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)C1 ZINC000627267189 356617012 /nfs/dbraw/zinc/61/70/12/356617012.db2.gz KQZYZQQXOWAPDE-STQMWFEESA-N 2 2 281.400 -0.004 20 0 CBADLP CC1(C)C[NH+](CC(=O)N2CC[C@H]([N@H+]3CC[C@H](O)C3)C2)C1 ZINC000627267189 356617017 /nfs/dbraw/zinc/61/70/17/356617017.db2.gz KQZYZQQXOWAPDE-STQMWFEESA-N 2 2 281.400 -0.004 20 0 CBADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@@H](CO)C[NH+](C)C)CC2 ZINC000627275775 356618298 /nfs/dbraw/zinc/61/82/98/356618298.db2.gz QUOWTUVICKPJHD-VXGBXAGGSA-N 2 2 280.372 -0.207 20 0 CBADLP CCN(CC[NH3+])C(=O)C(=O)NCCCNc1cccc[nH+]1 ZINC000627378170 356635343 /nfs/dbraw/zinc/63/53/43/356635343.db2.gz DSHNAPFRAHSDMA-UHFFFAOYSA-N 2 2 293.371 -0.193 20 0 CBADLP CCN(CC[NH3+])C(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000627385206 356636204 /nfs/dbraw/zinc/63/62/04/356636204.db2.gz CQMPNUZBJWPPSD-JTQLQIEISA-N 2 2 267.333 -0.805 20 0 CBADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCc1[nH+]ccn1C ZINC000627379742 356636542 /nfs/dbraw/zinc/63/65/42/356636542.db2.gz VSYXSGJHGAGUEA-VHSXEESVSA-N 2 2 279.344 -0.707 20 0 CBADLP C[C@H]1CC[C@@H](NC(=O)C(=O)N(C)Cc2[nH+]ccn2C)C[NH2+]1 ZINC000627478625 356653972 /nfs/dbraw/zinc/65/39/72/356653972.db2.gz POHQSPGVVMMCKO-WDEREUQCSA-N 2 2 293.371 -0.365 20 0 CBADLP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000627504425 356660004 /nfs/dbraw/zinc/66/00/04/356660004.db2.gz NADMBTCLKNPDTO-MNOVXSKESA-N 2 2 291.355 -0.059 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000628585276 356713925 /nfs/dbraw/zinc/71/39/25/356713925.db2.gz PTIRTXJPQZAFMN-LBPRGKRZSA-N 2 2 293.371 -0.283 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000628585276 356713930 /nfs/dbraw/zinc/71/39/30/356713930.db2.gz PTIRTXJPQZAFMN-LBPRGKRZSA-N 2 2 293.371 -0.283 20 0 CBADLP Cc1[nH]c[nH+]c1CC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000628585276 356713934 /nfs/dbraw/zinc/71/39/34/356713934.db2.gz PTIRTXJPQZAFMN-LBPRGKRZSA-N 2 2 293.371 -0.283 20 0 CBADLP Cc1[nH]c[nH+]c1CC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000628585276 356713937 /nfs/dbraw/zinc/71/39/37/356713937.db2.gz PTIRTXJPQZAFMN-LBPRGKRZSA-N 2 2 293.371 -0.283 20 0 CBADLP CNC(=O)NC[C@@H]1C[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000629554159 356778635 /nfs/dbraw/zinc/77/86/35/356778635.db2.gz BHCBWKVBEIGGIG-NWDGAFQWSA-N 2 2 298.387 -0.863 20 0 CBADLP c1cnc(N2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)nn1 ZINC000629552905 356778722 /nfs/dbraw/zinc/77/87/22/356778722.db2.gz SATDPEJTEPVGOA-GFCCVEGCSA-N 2 2 262.361 -0.007 20 0 CBADLP CC1(C)C[NH+](CC(=O)NCC[N@@H+]2CC[C@@H](O)C2)C1 ZINC000629167745 356750108 /nfs/dbraw/zinc/75/01/08/356750108.db2.gz FVVPASMWDPLVCY-LLVKDONJSA-N 2 2 255.362 -0.489 20 0 CBADLP CC1(C)C[NH+](CC(=O)NCC[N@H+]2CC[C@@H](O)C2)C1 ZINC000629167745 356750110 /nfs/dbraw/zinc/75/01/10/356750110.db2.gz FVVPASMWDPLVCY-LLVKDONJSA-N 2 2 255.362 -0.489 20 0 CBADLP O=C(CCCn1cc[nH+]c1)NCC[N@H+]1CC[C@@H](O)C1 ZINC000629175882 356753428 /nfs/dbraw/zinc/75/34/28/356753428.db2.gz ZQTKZAGDRGBCAM-GFCCVEGCSA-N 2 2 266.345 -0.154 20 0 CBADLP O=C(CCCn1cc[nH+]c1)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000629175882 356753431 /nfs/dbraw/zinc/75/34/31/356753431.db2.gz ZQTKZAGDRGBCAM-GFCCVEGCSA-N 2 2 266.345 -0.154 20 0 CBADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1cn(C)c(=O)n(C)c1=O ZINC000629390666 356769238 /nfs/dbraw/zinc/76/92/38/356769238.db2.gz KYRRAEFRJYTAIQ-WDEREUQCSA-N 2 2 266.345 -0.686 20 0 CBADLP CC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)C(=O)N1CCOCC1 ZINC000629569601 356780824 /nfs/dbraw/zinc/78/08/24/356780824.db2.gz YBQLCOJENRNFAY-KBPBESRZSA-N 2 2 299.415 -0.330 20 0 CBADLP CS(=O)(=O)NC[C@@H]1COCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000629506392 356774949 /nfs/dbraw/zinc/77/49/49/356774949.db2.gz XPPBCZJXXSMRAF-GFCCVEGCSA-N 2 2 291.417 -0.764 20 0 CBADLP CS(=O)(=O)NC[C@@H]1COCC[N@H+]1CC1CC[NH2+]CC1 ZINC000629506392 356774953 /nfs/dbraw/zinc/77/49/53/356774953.db2.gz XPPBCZJXXSMRAF-GFCCVEGCSA-N 2 2 291.417 -0.764 20 0 CBADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000629512975 356776089 /nfs/dbraw/zinc/77/60/89/356776089.db2.gz GTMKYGCRGUUTSN-MJBXVCDLSA-N 3 2 298.431 -0.317 20 0 CBADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000629512975 356776093 /nfs/dbraw/zinc/77/60/93/356776093.db2.gz GTMKYGCRGUUTSN-MJBXVCDLSA-N 3 2 298.431 -0.317 20 0 CBADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCCN1CCC[C@H]1C(N)=O ZINC000629512975 356776096 /nfs/dbraw/zinc/77/60/96/356776096.db2.gz GTMKYGCRGUUTSN-MJBXVCDLSA-N 2 2 298.431 -0.317 20 0 CBADLP C[C@@]1(C[NH2+]Cc2cn([C@@H]3CC[NH2+]C3)nn2)CC[NH2+]C1 ZINC000629668386 356789039 /nfs/dbraw/zinc/78/90/39/356789039.db2.gz UAZKXKNWXHVXJU-CHWSQXEVSA-N 3 2 264.377 -0.098 20 0 CBADLP O=C1[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)CCCN1CCO ZINC000629584307 356783562 /nfs/dbraw/zinc/78/35/62/356783562.db2.gz ONQGJDAOOSWTNL-OLZOCXBDSA-N 2 2 285.388 -0.984 20 0 CBADLP OCCN1CCCC[C@H]1C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000629585035 356784151 /nfs/dbraw/zinc/78/41/51/356784151.db2.gz YKCIRKOJKCHCDY-GJZGRUSLSA-N 2 2 285.432 -0.121 20 0 CBADLP CC(=O)NC[C@@H]1CCCC[N@@H+]1C[C@H]1C[NH2+]CCO1 ZINC000629595487 356784681 /nfs/dbraw/zinc/78/46/81/356784681.db2.gz QHWXNEIDTDYJTG-QWHCGFSZSA-N 2 2 255.362 -0.035 20 0 CBADLP CC(=O)NC[C@@H]1CCCC[N@H+]1C[C@H]1C[NH2+]CCO1 ZINC000629595487 356784683 /nfs/dbraw/zinc/78/46/83/356784683.db2.gz QHWXNEIDTDYJTG-QWHCGFSZSA-N 2 2 255.362 -0.035 20 0 CBADLP CC[C@H]([NH2+]C)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000629607111 356785931 /nfs/dbraw/zinc/78/59/31/356785931.db2.gz PFBXAMSKLCDRDL-RYUDHWBXSA-N 2 2 273.377 -0.864 20 0 CBADLP C[C@H]([NH3+])[C@H](C)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000629606373 356786293 /nfs/dbraw/zinc/78/62/93/356786293.db2.gz GQDVKLFGJFBXAP-SDDRHHMPSA-N 2 2 273.377 -0.879 20 0 CBADLP C[NH2+]CCCC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000629607730 356786841 /nfs/dbraw/zinc/78/68/41/356786841.db2.gz YAIXOAPNXNQXSU-GFCCVEGCSA-N 2 2 273.377 -0.863 20 0 CBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@]1(C)CC[NH2+]C1 ZINC000629607527 356786890 /nfs/dbraw/zinc/78/68/90/356786890.db2.gz VRWRMHQMRQPHTC-GXTWGEPZSA-N 2 2 285.388 -0.863 20 0 CBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CC(F)(F)C[NH3+] ZINC000629607735 356786933 /nfs/dbraw/zinc/78/69/33/356786933.db2.gz YDMMUWNMQFKENX-SNVBAGLBSA-N 2 2 295.330 -0.878 20 0 CBADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC000629608293 356786984 /nfs/dbraw/zinc/78/69/84/356786984.db2.gz SPNXOZZGCNJSHQ-OLZOCXBDSA-N 2 2 295.387 -0.827 20 0 CBADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC000629608293 356786986 /nfs/dbraw/zinc/78/69/86/356786986.db2.gz SPNXOZZGCNJSHQ-OLZOCXBDSA-N 2 2 295.387 -0.827 20 0 CBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(C)(C)C[NH3+] ZINC000629608574 356787112 /nfs/dbraw/zinc/78/71/12/356787112.db2.gz YNHLDIMJQAPLDY-NSHDSACASA-N 2 2 273.377 -0.877 20 0 CBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C1([NH3+])CCC1 ZINC000629607729 356787162 /nfs/dbraw/zinc/78/71/62/356787162.db2.gz XXQWEADDJPYRSH-NSHDSACASA-N 2 2 271.361 -0.981 20 0 CBADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C[C@H](O)Cn1cccn1 ZINC000629608294 356787197 /nfs/dbraw/zinc/78/71/97/356787197.db2.gz SPNXOZZGCNJSHQ-STQMWFEESA-N 2 2 295.387 -0.827 20 0 CBADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C[C@H](O)Cn1cccn1 ZINC000629608294 356787199 /nfs/dbraw/zinc/78/71/99/356787199.db2.gz SPNXOZZGCNJSHQ-STQMWFEESA-N 2 2 295.387 -0.827 20 0 CBADLP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000629607800 356787209 /nfs/dbraw/zinc/78/72/09/356787209.db2.gz ZOVLMZNBXJTOJA-XQQFMLRXSA-N 2 2 285.388 -0.864 20 0 CBADLP C[NH2+]CCOCCN(C)C(=O)NCC[NH+]1CCOCC1 ZINC000631002662 356872224 /nfs/dbraw/zinc/87/22/24/356872224.db2.gz YJGZVWFDSROVMV-UHFFFAOYSA-N 2 2 288.392 -0.804 20 0 CBADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)NCC[NH+]1CCOCC1 ZINC000630999681 356872597 /nfs/dbraw/zinc/87/25/97/356872597.db2.gz BVYLSYUVQITJEW-ZDUSSCGKSA-N 2 2 284.404 -0.042 20 0 CBADLP CC(C)n1ncnc1C[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000631053070 356873894 /nfs/dbraw/zinc/87/38/94/356873894.db2.gz ACYCPHNRLRYLHC-UHFFFAOYSA-N 2 2 280.376 -0.277 20 0 CBADLP c1c(CC[NH+]2CCOCC2)nnn1C[C@H]1CCC[NH2+]1 ZINC000630604452 356854296 /nfs/dbraw/zinc/85/42/96/356854296.db2.gz ABYDJPPNEBKRRX-GFCCVEGCSA-N 2 2 265.361 -0.095 20 0 CBADLP C[NH+]1CCC[C@@H](NS(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)C1 ZINC000631784566 356907375 /nfs/dbraw/zinc/90/73/75/356907375.db2.gz ZHHYEOWBXUUNDF-NEPJUHHUSA-N 2 2 291.417 -0.669 20 0 CBADLP C[NH+]1CCC[C@@H](NS(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000631784566 356907378 /nfs/dbraw/zinc/90/73/78/356907378.db2.gz ZHHYEOWBXUUNDF-NEPJUHHUSA-N 2 2 291.417 -0.669 20 0 CBADLP C[NH+]1CCO[C@H](CS(=O)(=O)N[C@@H]2CCC[N@H+](C)C2)C1 ZINC000631784566 356907380 /nfs/dbraw/zinc/90/73/80/356907380.db2.gz ZHHYEOWBXUUNDF-NEPJUHHUSA-N 2 2 291.417 -0.669 20 0 CBADLP C[NH+]1CCO[C@H](CS(=O)(=O)N[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000631784566 356907382 /nfs/dbraw/zinc/90/73/82/356907382.db2.gz ZHHYEOWBXUUNDF-NEPJUHHUSA-N 2 2 291.417 -0.669 20 0 CBADLP C[N@H+](CC(=O)N1CC[NH2+]CC1)[C@H]1CCN(C2CCC2)C1=O ZINC000631820905 356908862 /nfs/dbraw/zinc/90/88/62/356908862.db2.gz JWUUMBREOJXLDJ-ZDUSSCGKSA-N 2 2 294.399 -0.497 20 0 CBADLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)[C@H]1CCN(C2CCC2)C1=O ZINC000631820905 356908865 /nfs/dbraw/zinc/90/88/65/356908865.db2.gz JWUUMBREOJXLDJ-ZDUSSCGKSA-N 2 2 294.399 -0.497 20 0 CBADLP O=C(C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)Nc1ccccn1 ZINC000631827360 356909376 /nfs/dbraw/zinc/90/93/76/356909376.db2.gz MUTSBOKLMPHBDK-CYBMUJFWSA-N 2 2 289.383 0.000 20 0 CBADLP O=C(C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)Nc1ccccn1 ZINC000631827360 356909382 /nfs/dbraw/zinc/90/93/82/356909382.db2.gz MUTSBOKLMPHBDK-CYBMUJFWSA-N 2 2 289.383 0.000 20 0 CBADLP O=C(C[NH2+]C1(CO)CC[NH2+]CC1)Nc1ccccn1 ZINC000631829286 356909662 /nfs/dbraw/zinc/90/96/62/356909662.db2.gz MOKIRMJBWFTVFA-UHFFFAOYSA-N 2 2 264.329 -0.276 20 0 CBADLP O=C(C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1)Nc1ccccn1 ZINC000631827361 356909676 /nfs/dbraw/zinc/90/96/76/356909676.db2.gz MUTSBOKLMPHBDK-ZDUSSCGKSA-N 2 2 289.383 0.000 20 0 CBADLP O=C(C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1)Nc1ccccn1 ZINC000631827361 356909682 /nfs/dbraw/zinc/90/96/82/356909682.db2.gz MUTSBOKLMPHBDK-ZDUSSCGKSA-N 2 2 289.383 0.000 20 0 CBADLP CN1CCC[C@H]([NH+]2CCC([NH2+]CCO)CC2)C1=O ZINC000631861838 356913669 /nfs/dbraw/zinc/91/36/69/356913669.db2.gz BFVRFHWFXHNPFU-LBPRGKRZSA-N 2 2 255.362 -0.347 20 0 CBADLP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000631861601 356913750 /nfs/dbraw/zinc/91/37/50/356913750.db2.gz FLAOEPHWFPVLMB-NWDGAFQWSA-N 3 2 254.378 -0.428 20 0 CBADLP C[C@H]1C[C@@H]([NH3+])C[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000631861601 356913752 /nfs/dbraw/zinc/91/37/52/356913752.db2.gz FLAOEPHWFPVLMB-NWDGAFQWSA-N 3 2 254.378 -0.428 20 0 CBADLP COCCCNC(=O)[C@H](C)[NH+]1CCC([NH2+]CCO)CC1 ZINC000631863720 356913809 /nfs/dbraw/zinc/91/38/09/356913809.db2.gz DHQJYWDOVSJOJQ-LBPRGKRZSA-N 2 2 287.404 -0.426 20 0 CBADLP O=C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)N1CCOCC1 ZINC000631884566 356915914 /nfs/dbraw/zinc/91/59/14/356915914.db2.gz LHQCVRSYIGAAQS-CHWSQXEVSA-N 2 2 267.373 -0.081 20 0 CBADLP O=C(C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)N1CCOCC1 ZINC000631884566 356915917 /nfs/dbraw/zinc/91/59/17/356915917.db2.gz LHQCVRSYIGAAQS-CHWSQXEVSA-N 2 2 267.373 -0.081 20 0 CBADLP CCS(=O)(=O)NCC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631887854 356916420 /nfs/dbraw/zinc/91/64/20/356916420.db2.gz QZNSYHODBDLNFT-VXGBXAGGSA-N 2 2 275.418 0.000 20 0 CBADLP CCS(=O)(=O)NCC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631887854 356916424 /nfs/dbraw/zinc/91/64/24/356916424.db2.gz QZNSYHODBDLNFT-VXGBXAGGSA-N 2 2 275.418 0.000 20 0 CBADLP CC[N@H+](CCO)CCNS(=O)(=O)CC1([NH+](C)C)CC1 ZINC000632226172 356961988 /nfs/dbraw/zinc/96/19/88/356961988.db2.gz LKWHNCXVDGOTFI-UHFFFAOYSA-N 2 2 293.433 -0.686 20 0 CBADLP CC[N@@H+](CCO)CCNS(=O)(=O)CC1([NH+](C)C)CC1 ZINC000632226172 356961991 /nfs/dbraw/zinc/96/19/91/356961991.db2.gz LKWHNCXVDGOTFI-UHFFFAOYSA-N 2 2 293.433 -0.686 20 0 CBADLP COCC[N@H+](C)CCNS(=O)(=O)CC1([NH+](C)C)CC1 ZINC000632255281 356964912 /nfs/dbraw/zinc/96/49/12/356964912.db2.gz OPSGCCRUQFECFF-UHFFFAOYSA-N 2 2 293.433 -0.422 20 0 CBADLP COCC[N@@H+](C)CCNS(=O)(=O)CC1([NH+](C)C)CC1 ZINC000632255281 356964913 /nfs/dbraw/zinc/96/49/13/356964913.db2.gz OPSGCCRUQFECFF-UHFFFAOYSA-N 2 2 293.433 -0.422 20 0 CBADLP C[N@@H+]1CC[C@H](CNS(=O)(=O)C[C@H]2C[NH+](C)CCO2)C1 ZINC000632431280 356988278 /nfs/dbraw/zinc/98/82/78/356988278.db2.gz ZEQWQNHCFDQYEX-VXGBXAGGSA-N 2 2 291.417 -0.812 20 0 CBADLP C[N@H+]1CC[C@H](CNS(=O)(=O)C[C@H]2C[NH+](C)CCO2)C1 ZINC000632431280 356988283 /nfs/dbraw/zinc/98/82/83/356988283.db2.gz ZEQWQNHCFDQYEX-VXGBXAGGSA-N 2 2 291.417 -0.812 20 0 CBADLP C[NH+]1CC[C@H](CNS(=O)(=O)C[C@H]2C[N@H+](C)CCO2)C1 ZINC000632431280 356988287 /nfs/dbraw/zinc/98/82/87/356988287.db2.gz ZEQWQNHCFDQYEX-VXGBXAGGSA-N 2 2 291.417 -0.812 20 0 CBADLP C[NH+]1CC[C@H](CNS(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)C1 ZINC000632431280 356988292 /nfs/dbraw/zinc/98/82/92/356988292.db2.gz ZEQWQNHCFDQYEX-VXGBXAGGSA-N 2 2 291.417 -0.812 20 0 CBADLP C[NH+](C)CCCS(=O)(=O)N1CC[NH+](CCCO)CC1 ZINC000632180861 356957767 /nfs/dbraw/zinc/95/77/67/356957767.db2.gz OGQZMYMBGCYPCG-UHFFFAOYSA-N 2 2 293.433 -0.732 20 0 CBADLP COc1cc[nH+]cc1NC(=O)C(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000633039408 357038047 /nfs/dbraw/zinc/03/80/47/357038047.db2.gz TUWMUFJLUJEMOF-IUCAKERBSA-N 2 2 278.312 -0.023 20 0 CBADLP O=C(C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[NH+](C2CC2)CC1 ZINC000633079697 357041171 /nfs/dbraw/zinc/04/11/71/357041171.db2.gz ZTNFGNYOSNSXIB-TXEJJXNPSA-N 2 2 292.383 -0.744 20 0 CBADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000633107954 357046986 /nfs/dbraw/zinc/04/69/86/357046986.db2.gz CRHVTEIDZMGLCY-YGRLFVJLSA-N 2 2 291.355 -0.292 20 0 CBADLP C[C@H]1CCN(C(=O)C(=O)N(C)Cc2[nH]cc[nH+]2)C[C@H]1C[NH3+] ZINC000633108679 357047417 /nfs/dbraw/zinc/04/74/17/357047417.db2.gz ZMFIVFSQRRTCSE-WDEREUQCSA-N 2 2 293.371 -0.189 20 0 CBADLP C[C@H]1CCCN(C(=O)C(=O)N(C)Cc2[nH]cc[nH+]2)[C@@H]1C[NH3+] ZINC000633106535 357047455 /nfs/dbraw/zinc/04/74/55/357047455.db2.gz UNENTUVUZCKCJA-WDEREUQCSA-N 2 2 293.371 -0.046 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CCc1nn[nH]n1 ZINC000633616487 357075763 /nfs/dbraw/zinc/07/57/63/357075763.db2.gz FIYFNHYNGRYFQN-UHFFFAOYSA-N 2 2 283.380 -0.868 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CCc1nn[nH]n1 ZINC000633616487 357075764 /nfs/dbraw/zinc/07/57/64/357075764.db2.gz FIYFNHYNGRYFQN-UHFFFAOYSA-N 2 2 283.380 -0.868 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000634741587 357132045 /nfs/dbraw/zinc/13/20/45/357132045.db2.gz IGQMRADHTLIQMB-FPMFFAJLSA-N 3 2 268.405 -0.277 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634769597 357135258 /nfs/dbraw/zinc/13/52/58/357135258.db2.gz HCDVCSGINPQWJA-MDZLAQPJSA-N 3 2 254.378 -0.476 20 0 CBADLP c1nc(N2CC[C@H](N3CC[NH2+]CC3)C2)c2c([nH+]1)NCCO2 ZINC000634808714 357137462 /nfs/dbraw/zinc/13/74/62/357137462.db2.gz AAAXKADYLPQNKA-NSHDSACASA-N 2 2 290.371 -0.235 20 0 CBADLP CC(C)[C@H](C[NH3+])C[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000634997347 357142600 /nfs/dbraw/zinc/14/26/00/357142600.db2.gz JIQVXKOKWPLESE-CQSZACIVSA-N 3 2 297.447 -0.140 20 0 CBADLP C[NH+](C)CC1(C(=O)NCC[NH+]2CCOCC2)CC1 ZINC000635072098 357145221 /nfs/dbraw/zinc/14/52/21/357145221.db2.gz HBNFSQRZWSQBOT-UHFFFAOYSA-N 2 2 255.362 -0.223 20 0 CBADLP CN1CC[N@H+](C)[C@@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC000635546996 357174169 /nfs/dbraw/zinc/17/41/69/357174169.db2.gz DNXRJGNFIWJFIL-OLZOCXBDSA-N 2 2 268.405 -0.310 20 0 CBADLP CN1CC[N@@H+](C)[C@@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC000635546996 357174173 /nfs/dbraw/zinc/17/41/73/357174173.db2.gz DNXRJGNFIWJFIL-OLZOCXBDSA-N 2 2 268.405 -0.310 20 0 CBADLP CN1CC[NH+](C)[C@@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000635546996 357174176 /nfs/dbraw/zinc/17/41/76/357174176.db2.gz DNXRJGNFIWJFIL-OLZOCXBDSA-N 2 2 268.405 -0.310 20 0 CBADLP CN1CC[NH+](C)[C@@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000635546996 357174179 /nfs/dbraw/zinc/17/41/79/357174179.db2.gz DNXRJGNFIWJFIL-OLZOCXBDSA-N 2 2 268.405 -0.310 20 0 CBADLP C[N@@H+]1CCC[C@H]([NH2+]C[C@H](O)CC2(O)CCOCC2)C1 ZINC000634703311 357127601 /nfs/dbraw/zinc/12/76/01/357127601.db2.gz UDEQBHMXPVYDRU-QWHCGFSZSA-N 2 2 272.389 -0.037 20 0 CBADLP C[N@H+]1CCC[C@H]([NH2+]C[C@H](O)CC2(O)CCOCC2)C1 ZINC000634703311 357127603 /nfs/dbraw/zinc/12/76/03/357127603.db2.gz UDEQBHMXPVYDRU-QWHCGFSZSA-N 2 2 272.389 -0.037 20 0 CBADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@]2(C)CCNC2=O)CC1 ZINC000635667875 357190254 /nfs/dbraw/zinc/19/02/54/357190254.db2.gz QACIUYRVGVJNGE-HNNXBMFYSA-N 2 2 296.415 -0.345 20 0 CBADLP C[C@H](C(=O)N1CC[NH+]([C@H]2CCOC2)CC1)[NH+](C)C ZINC000635702319 357194316 /nfs/dbraw/zinc/19/43/16/357194316.db2.gz ZBYIAJWCUDGTMU-NEPJUHHUSA-N 2 2 255.362 -0.130 20 0 CBADLP C[C@H](C(=O)N1CC[NH+](CCn2cncn2)CC1)[NH+](C)C ZINC000635596801 357181740 /nfs/dbraw/zinc/18/17/40/357181740.db2.gz MMXKZDFIERFDHW-GFCCVEGCSA-N 2 2 280.376 -0.628 20 0 CBADLP C[C@H](C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)[NH+](C)C ZINC000635657968 357189595 /nfs/dbraw/zinc/18/95/95/357189595.db2.gz BRXPKQSRICDCPS-NEPJUHHUSA-N 2 2 273.377 -0.912 20 0 CBADLP CC[NH+](CC)CCNC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000636445190 357284907 /nfs/dbraw/zinc/28/49/07/357284907.db2.gz CRSKJOIVBQOZNA-GFCCVEGCSA-N 2 2 272.393 -0.042 20 0 CBADLP CC[NH+](CC)CCNC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000636445190 357284909 /nfs/dbraw/zinc/28/49/09/357284909.db2.gz CRSKJOIVBQOZNA-GFCCVEGCSA-N 2 2 272.393 -0.042 20 0 CBADLP CC[N@H+](CCNC(=O)C(=O)N(C)Cc1[nH]cc[nH+]1)C1CC1 ZINC000636658244 357295307 /nfs/dbraw/zinc/29/53/07/357295307.db2.gz NFVPFHLBDSFKHV-UHFFFAOYSA-N 2 2 293.371 -0.031 20 0 CBADLP CC[N@@H+](CCNC(=O)C(=O)N(C)Cc1[nH]cc[nH+]1)C1CC1 ZINC000636658244 357295311 /nfs/dbraw/zinc/29/53/11/357295311.db2.gz NFVPFHLBDSFKHV-UHFFFAOYSA-N 2 2 293.371 -0.031 20 0 CBADLP C[C@@H](CNC(=O)C(=O)N(C)Cc1[nH]cc[nH+]1)[N@H+](C)C1CC1 ZINC000636660942 357295675 /nfs/dbraw/zinc/29/56/75/357295675.db2.gz BRUVOCQWZNPQQA-JTQLQIEISA-N 2 2 293.371 -0.033 20 0 CBADLP C[C@@H](CNC(=O)C(=O)N(C)Cc1[nH]cc[nH+]1)[N@@H+](C)C1CC1 ZINC000636660942 357295679 /nfs/dbraw/zinc/29/56/79/357295679.db2.gz BRUVOCQWZNPQQA-JTQLQIEISA-N 2 2 293.371 -0.033 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000636752385 357300833 /nfs/dbraw/zinc/30/08/33/357300833.db2.gz RDQMYOJSXPJLEA-VXGBXAGGSA-N 2 2 293.371 -0.172 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000636752385 357300835 /nfs/dbraw/zinc/30/08/35/357300835.db2.gz RDQMYOJSXPJLEA-VXGBXAGGSA-N 2 2 293.371 -0.172 20 0 CBADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)NCCOCC[NH+](C)C ZINC000636798367 357303620 /nfs/dbraw/zinc/30/36/20/357303620.db2.gz IAHSQQPMQCKKHL-UHFFFAOYSA-N 2 2 297.359 -0.938 20 0 CBADLP C[C@H](C(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1)[NH+](C)C ZINC000635991696 357245822 /nfs/dbraw/zinc/24/58/22/357245822.db2.gz CBFFPPZQOCDQHV-GRYCIOLGSA-N 2 2 257.378 -0.150 20 0 CBADLP C[C@H](C(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1)[NH+](C)C ZINC000635991696 357245823 /nfs/dbraw/zinc/24/58/23/357245823.db2.gz CBFFPPZQOCDQHV-GRYCIOLGSA-N 2 2 257.378 -0.150 20 0 CBADLP CCc1c[nH]c(CC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)[nH+]1 ZINC000636139169 357267829 /nfs/dbraw/zinc/26/78/29/357267829.db2.gz BRKAIENVOPBQHG-NWDGAFQWSA-N 2 2 278.356 -0.208 20 0 CBADLP CCc1c[nH]c(CC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)[nH+]1 ZINC000636139169 357267830 /nfs/dbraw/zinc/26/78/30/357267830.db2.gz BRKAIENVOPBQHG-NWDGAFQWSA-N 2 2 278.356 -0.208 20 0 CBADLP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2COCC[NH+]2C)C1 ZINC000636278939 357275888 /nfs/dbraw/zinc/27/58/88/357275888.db2.gz CHVQUOZPLQDEQI-RYUDHWBXSA-N 2 2 255.362 -0.225 20 0 CBADLP C[N@H+]1CC[C@@H](CC(=O)NC[C@H]2COCC[NH+]2C)C1 ZINC000636278939 357275889 /nfs/dbraw/zinc/27/58/89/357275889.db2.gz CHVQUOZPLQDEQI-RYUDHWBXSA-N 2 2 255.362 -0.225 20 0 CBADLP C[NH+]1CC[C@@H](CC(=O)NC[C@H]2COCC[N@@H+]2C)C1 ZINC000636278939 357275890 /nfs/dbraw/zinc/27/58/90/357275890.db2.gz CHVQUOZPLQDEQI-RYUDHWBXSA-N 2 2 255.362 -0.225 20 0 CBADLP C[NH+]1CC[C@@H](CC(=O)NC[C@H]2COCC[N@H+]2C)C1 ZINC000636278939 357275891 /nfs/dbraw/zinc/27/58/91/357275891.db2.gz CHVQUOZPLQDEQI-RYUDHWBXSA-N 2 2 255.362 -0.225 20 0 CBADLP CC(C)[NH2+]CCCNC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000637828174 357372246 /nfs/dbraw/zinc/37/22/46/357372246.db2.gz DFEYIEDOLZSYJQ-NSHDSACASA-N 2 2 270.377 -0.689 20 0 CBADLP C[C@H](C(=O)N1CC[C@H]([NH3+])[C@H](C)C1)N1CC[NH2+]CC1=O ZINC000637845189 357376051 /nfs/dbraw/zinc/37/60/51/357376051.db2.gz OHFNBUGBJKRMJP-MXWKQRLJSA-N 2 2 268.361 -0.998 20 0 CBADLP C[C@@H](C(=O)N1CC[C@H]([NH3+])[C@H](C)C1)N1CC[NH2+]CC1=O ZINC000637845191 357376107 /nfs/dbraw/zinc/37/61/07/357376107.db2.gz OHFNBUGBJKRMJP-VWYCJHECSA-N 2 2 268.361 -0.998 20 0 CBADLP C[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000637861555 357378519 /nfs/dbraw/zinc/37/85/19/357378519.db2.gz GQPIWRAWBULJIE-QWRGUYRKSA-N 2 2 268.361 -0.983 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)NCC[NH+]1CC=CCC1 ZINC000637440101 357346335 /nfs/dbraw/zinc/34/63/35/357346335.db2.gz FICQYRYUSCOWTL-CYBMUJFWSA-N 2 2 282.388 -0.122 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)NCC[NH+]1CC=CCC1 ZINC000637440101 357346339 /nfs/dbraw/zinc/34/63/39/357346339.db2.gz FICQYRYUSCOWTL-CYBMUJFWSA-N 2 2 282.388 -0.122 20 0 CBADLP C[NH+]1CCOC[C@H]1CNC(=O)NCC[N@H+]1CC=CCC1 ZINC000637440101 357346342 /nfs/dbraw/zinc/34/63/42/357346342.db2.gz FICQYRYUSCOWTL-CYBMUJFWSA-N 2 2 282.388 -0.122 20 0 CBADLP C[NH+]1CCOC[C@H]1CNC(=O)NCC[N@@H+]1CC=CCC1 ZINC000637440101 357346344 /nfs/dbraw/zinc/34/63/44/357346344.db2.gz FICQYRYUSCOWTL-CYBMUJFWSA-N 2 2 282.388 -0.122 20 0 CBADLP C[C@@H](CCNC(=O)NC[C@@H]1COCC[N@@H+]1C)[NH+](C)C ZINC000637440595 357346814 /nfs/dbraw/zinc/34/68/14/357346814.db2.gz NXLDKCLTIUYIRC-NWDGAFQWSA-N 2 2 272.393 -0.044 20 0 CBADLP C[C@@H](CCNC(=O)NC[C@@H]1COCC[N@H+]1C)[NH+](C)C ZINC000637440595 357346818 /nfs/dbraw/zinc/34/68/18/357346818.db2.gz NXLDKCLTIUYIRC-NWDGAFQWSA-N 2 2 272.393 -0.044 20 0 CBADLP C[C@H](CCNC(=O)NC[C@H]1COCC[N@@H+]1C)[NH+](C)C ZINC000637440594 357347790 /nfs/dbraw/zinc/34/77/90/357347790.db2.gz NXLDKCLTIUYIRC-NEPJUHHUSA-N 2 2 272.393 -0.044 20 0 CBADLP C[C@H](CCNC(=O)NC[C@H]1COCC[N@H+]1C)[NH+](C)C ZINC000637440594 357347791 /nfs/dbraw/zinc/34/77/91/357347791.db2.gz NXLDKCLTIUYIRC-NEPJUHHUSA-N 2 2 272.393 -0.044 20 0 CBADLP CN(CCC[NH+](C)C)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000637442699 357349977 /nfs/dbraw/zinc/34/99/77/357349977.db2.gz IEFYBCLDIYOMHY-GFCCVEGCSA-N 2 2 272.393 -0.090 20 0 CBADLP CN(CCC[NH+](C)C)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000637442699 357349978 /nfs/dbraw/zinc/34/99/78/357349978.db2.gz IEFYBCLDIYOMHY-GFCCVEGCSA-N 2 2 272.393 -0.090 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000637448987 357352633 /nfs/dbraw/zinc/35/26/33/357352633.db2.gz XUROUKKDKKNKCM-KGLIPLIRSA-N 2 2 294.399 -0.027 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000637448987 357352637 /nfs/dbraw/zinc/35/26/37/357352637.db2.gz XUROUKKDKKNKCM-KGLIPLIRSA-N 2 2 294.399 -0.027 20 0 CBADLP C[NH+]1CCN(C(=O)NC[C@H]2COCC[N@@H+]2C)CC1 ZINC000637447259 357353080 /nfs/dbraw/zinc/35/30/80/357353080.db2.gz XWFKXPODQFSHCI-NSHDSACASA-N 2 2 256.350 -0.726 20 0 CBADLP C[NH+]1CCN(C(=O)NC[C@H]2COCC[N@H+]2C)CC1 ZINC000637447259 357353082 /nfs/dbraw/zinc/35/30/82/357353082.db2.gz XWFKXPODQFSHCI-NSHDSACASA-N 2 2 256.350 -0.726 20 0 CBADLP CCc1c[nH]c(CC(=O)NCCCN2CC[NH2+]CC2)[nH+]1 ZINC000637799937 357365932 /nfs/dbraw/zinc/36/59/32/357365932.db2.gz SPTFJTSJCVVSRS-UHFFFAOYSA-N 2 2 279.388 -0.074 20 0 CBADLP C[C@@H](C(=O)N1CCC(C[NH3+])CC1)N1CC[NH2+]CC1=O ZINC000637803234 357366604 /nfs/dbraw/zinc/36/66/04/357366604.db2.gz BFZJYARMAFRJNS-JTQLQIEISA-N 2 2 268.361 -0.996 20 0 CBADLP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000637808067 357367662 /nfs/dbraw/zinc/36/76/62/357367662.db2.gz UPRWDMKGWKWBCN-SDDRHHMPSA-N 2 2 282.388 -0.465 20 0 CBADLP C[C@@H](C(=O)NCC1([NH3+])CCCCCC1)N1CC[NH2+]CC1=O ZINC000637807564 357367970 /nfs/dbraw/zinc/36/79/70/357367970.db2.gz IVMZSXAYTXEUEQ-LBPRGKRZSA-N 2 2 296.415 -0.025 20 0 CBADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638048012 357404680 /nfs/dbraw/zinc/40/46/80/357404680.db2.gz MEEBEGJVVHPAPT-VXGBXAGGSA-N 2 2 282.388 -0.593 20 0 CBADLP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638048012 357404683 /nfs/dbraw/zinc/40/46/83/357404683.db2.gz MEEBEGJVVHPAPT-VXGBXAGGSA-N 2 2 282.388 -0.593 20 0 CBADLP CC[NH+](CC)CCCNC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638047320 357404980 /nfs/dbraw/zinc/40/49/80/357404980.db2.gz DWJSTUSHFAKWQI-LBPRGKRZSA-N 2 2 284.404 -0.345 20 0 CBADLP CC[NH2+][C@H](C)C(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000638055756 357405847 /nfs/dbraw/zinc/40/58/47/357405847.db2.gz ISOVSMNPCNUDQD-VXGBXAGGSA-N 2 2 296.415 -0.204 20 0 CBADLP CC(C)(CNC(=O)[C@]1(C[NH3+])CCCOC1)[NH+]1CCOCC1 ZINC000638049208 357406133 /nfs/dbraw/zinc/40/61/33/357406133.db2.gz KMXGMJXXEUXKOR-HNNXBMFYSA-N 2 2 299.415 -0.031 20 0 CBADLP C[C@]1(C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C[NH2+]CCO1 ZINC000638051966 357406152 /nfs/dbraw/zinc/40/61/52/357406152.db2.gz VGUSEVCXTPXTFB-DZGCQCFKSA-N 2 2 297.399 -0.312 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@]2(C)C[NH2+]CCO2)CC1 ZINC000638053901 357406291 /nfs/dbraw/zinc/40/62/91/357406291.db2.gz BXWWRXRPAAQSIY-ZDUSSCGKSA-N 2 2 271.361 -0.845 20 0 CBADLP CO[C@H]1C[NH2+][C@@](C)(C(=O)NCCn2cc[nH+]c2)C1 ZINC000638051655 357406441 /nfs/dbraw/zinc/40/64/41/357406441.db2.gz NSMWAXKPEZUUOU-ZYHUDNBSSA-N 2 2 252.318 -0.234 20 0 CBADLP CC(C)C[C@@H](CNC(=O)[C@H](C)N1CC[NH2+]CC1=O)[NH+](C)C ZINC000638060898 357407330 /nfs/dbraw/zinc/40/73/30/357407330.db2.gz UKJIDZRNVDPLTH-STQMWFEESA-N 2 2 298.431 -0.101 20 0 CBADLP CC(C)C[C@H](CNC(=O)[C@@H](C)N1CC[NH2+]CC1=O)[NH+](C)C ZINC000638060895 357407496 /nfs/dbraw/zinc/40/74/96/357407496.db2.gz UKJIDZRNVDPLTH-CHWSQXEVSA-N 2 2 298.431 -0.101 20 0 CBADLP CCOCC[NH+]1CCN(C(=O)[C@]2(C)C[NH2+]CCO2)CC1 ZINC000638060585 357407556 /nfs/dbraw/zinc/40/75/56/357407556.db2.gz XVRZUUASTMKNSY-AWEZNQCLSA-N 2 2 285.388 -0.454 20 0 CBADLP C[C@@H](C(=O)NCC[NH+]1CCCC1)N1CC[NH2+]CC1=O ZINC000638060173 357407641 /nfs/dbraw/zinc/40/76/41/357407641.db2.gz YNJUJYWUUNWDJN-NSHDSACASA-N 2 2 268.361 -0.981 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@]2(COC)CCCC[NH2+]2)CC1 ZINC000638058176 357407796 /nfs/dbraw/zinc/40/77/96/357407796.db2.gz VHLFJLSYMWDQKU-OAHLLOKOSA-N 2 2 299.415 -0.064 20 0 CBADLP C[C@@H](C(=O)NC1CC[NH+](C2CC2)CC1)N1CC[NH2+]CC1=O ZINC000638057065 357407867 /nfs/dbraw/zinc/40/78/67/357407867.db2.gz UJMFRROMKRFOKE-NSHDSACASA-N 2 2 294.399 -0.450 20 0 CBADLP CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000638068214 357409030 /nfs/dbraw/zinc/40/90/30/357409030.db2.gz BUBUQHIHSDXCMV-OBJOEFQTSA-N 2 2 285.388 -0.410 20 0 CBADLP C[C@H](C(=O)NCC[N@@H+]1CCC[C@H](C)C1)N1CC[NH2+]CC1=O ZINC000638070217 357409802 /nfs/dbraw/zinc/40/98/02/357409802.db2.gz PFKORGRHKPMHTI-QWHCGFSZSA-N 2 2 296.415 -0.345 20 0 CBADLP C[C@H](C(=O)NCC[N@H+]1CCC[C@H](C)C1)N1CC[NH2+]CC1=O ZINC000638070217 357409808 /nfs/dbraw/zinc/40/98/08/357409808.db2.gz PFKORGRHKPMHTI-QWHCGFSZSA-N 2 2 296.415 -0.345 20 0 CBADLP [NH3+][C@@H]1CCO[C@@H]1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000638073611 357410743 /nfs/dbraw/zinc/41/07/43/357410743.db2.gz ZVVQPRXRYHHKGE-YPMHNXCESA-N 2 2 278.356 -0.006 20 0 CBADLP C[C@H](C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N1CC[NH2+]CC1=O ZINC000638073370 357410984 /nfs/dbraw/zinc/41/09/84/357410984.db2.gz CULBOGCTQYNHGQ-JHJVBQTASA-N 2 2 294.399 -0.450 20 0 CBADLP C[C@H](C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)N1CC[NH2+]CC1=O ZINC000638073370 357410988 /nfs/dbraw/zinc/41/09/88/357410988.db2.gz CULBOGCTQYNHGQ-JHJVBQTASA-N 2 2 294.399 -0.450 20 0 CBADLP C[C@H](C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CC[NH2+]CC1=O ZINC000638072895 357411330 /nfs/dbraw/zinc/41/13/30/357411330.db2.gz RLJFLLBWSRKNEI-FRRDWIJNSA-N 2 2 294.399 -0.450 20 0 CBADLP C[C@H](C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1)N1CC[NH2+]CC1=O ZINC000638072895 357411332 /nfs/dbraw/zinc/41/13/32/357411332.db2.gz RLJFLLBWSRKNEI-FRRDWIJNSA-N 2 2 294.399 -0.450 20 0 CBADLP C[C@H](C(=O)NC[C@@H](C1CC1)[NH+](C)C)N1CC[NH2+]CC1=O ZINC000638077582 357412189 /nfs/dbraw/zinc/41/21/89/357412189.db2.gz UJBCYTADCYMPTI-PWSUYJOCSA-N 2 2 282.388 -0.737 20 0 CBADLP CC[NH+](CC)C[C@H](C)NC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638077063 357412446 /nfs/dbraw/zinc/41/24/46/357412446.db2.gz PNYQHAHBEGHDSR-RYUDHWBXSA-N 2 2 284.404 -0.347 20 0 CBADLP C[C@@H](C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)N1CC[NH2+]CC1=O ZINC000638242284 357442407 /nfs/dbraw/zinc/44/24/07/357442407.db2.gz WWBBDLVHFUDZFA-AVGNSLFASA-N 2 2 296.415 -0.312 20 0 CBADLP C[C@H](C(=O)NCCC1CC[NH+](C)CC1)N1CC[NH2+]CC1=O ZINC000638082593 357413749 /nfs/dbraw/zinc/41/37/49/357413749.db2.gz FHCZVSUATRYZHP-GFCCVEGCSA-N 2 2 296.415 -0.345 20 0 CBADLP C[C@H](CNC(=O)c1cnc(C[NH3+])nc1)C[NH+]1CCOCC1 ZINC000638090253 357414756 /nfs/dbraw/zinc/41/47/56/357414756.db2.gz GOHPLTOTOUVDQD-LLVKDONJSA-N 2 2 293.371 -0.367 20 0 CBADLP C[C@H]([C@H](C)NC(=O)[C@@H]1OCC[C@@H]1[NH3+])[NH+]1CCOCC1 ZINC000638098266 357415597 /nfs/dbraw/zinc/41/55/97/357415597.db2.gz ACTMIOWLBGMSHH-WHOHXGKFSA-N 2 2 271.361 -0.672 20 0 CBADLP C[C@@H](NC(=O)c1cnc(C[NH3+])nc1)[C@H](C)[NH+]1CCOCC1 ZINC000638101126 357416786 /nfs/dbraw/zinc/41/67/86/357416786.db2.gz NRTCXGPUCHIQGH-MNOVXSKESA-N 2 2 293.371 -0.226 20 0 CBADLP C[C@H]([C@H](C)NC(=O)c1cnc(C[NH3+])nc1)[NH+]1CCOCC1 ZINC000638101129 357416983 /nfs/dbraw/zinc/41/69/83/357416983.db2.gz NRTCXGPUCHIQGH-WDEREUQCSA-N 2 2 293.371 -0.226 20 0 CBADLP CO[C@H]1C[NH2+][C@@](C)(C(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000638100384 357417554 /nfs/dbraw/zinc/41/75/54/357417554.db2.gz YYYDIDWIBLYUPE-IUODEOHRSA-N 2 2 299.415 -0.020 20 0 CBADLP CO[C@H]1C[NH2+][C@@](C)(C(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000638100384 357417559 /nfs/dbraw/zinc/41/75/59/357417559.db2.gz YYYDIDWIBLYUPE-IUODEOHRSA-N 2 2 299.415 -0.020 20 0 CBADLP CC(C)OCC[NH+]1CCN(C(=O)[C@]2(C)C[NH2+]CCO2)CC1 ZINC000638122788 357421582 /nfs/dbraw/zinc/42/15/82/357421582.db2.gz QQZREUOEYVSBKM-HNNXBMFYSA-N 2 2 299.415 -0.066 20 0 CBADLP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)N2CC[NH2+]CC2=O)C1 ZINC000638127456 357423132 /nfs/dbraw/zinc/42/31/32/357423132.db2.gz JITPPDLDQUCIRT-STQMWFEESA-N 2 2 296.415 -0.393 20 0 CBADLP CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)N2CC[NH2+]CC2=O)C1 ZINC000638127456 357423135 /nfs/dbraw/zinc/42/31/35/357423135.db2.gz JITPPDLDQUCIRT-STQMWFEESA-N 2 2 296.415 -0.393 20 0 CBADLP CCC[N@H+](CC)CCNC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638128024 357423412 /nfs/dbraw/zinc/42/34/12/357423412.db2.gz OMRYYKXBBKBJBM-GFCCVEGCSA-N 2 2 284.404 -0.345 20 0 CBADLP CCC[N@@H+](CC)CCNC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638128024 357423413 /nfs/dbraw/zinc/42/34/13/357423413.db2.gz OMRYYKXBBKBJBM-GFCCVEGCSA-N 2 2 284.404 -0.345 20 0 CBADLP C[C@@H](CNC(=O)[C@@]1(C)C[NH2+]CCO1)CN1CC[NH+](C)CC1 ZINC000638137517 357424425 /nfs/dbraw/zinc/42/44/25/357424425.db2.gz KLJWKUXEROIEGU-DZGCQCFKSA-N 2 2 298.431 -0.635 20 0 CBADLP C[C@H](CNC(=O)C1=CC[C@@H]([NH3+])C1)[NH+]1CCN(C)CC1 ZINC000638139959 357424884 /nfs/dbraw/zinc/42/48/84/357424884.db2.gz IJJLOJAOBHOWJE-DGCLKSJQSA-N 2 2 266.389 -0.214 20 0 CBADLP C[C@@H](C(=O)N(C1CC1)[C@H]1CC[NH2+]C1)N1CC[NH2+]CC1=O ZINC000638138793 357425011 /nfs/dbraw/zinc/42/50/11/357425011.db2.gz NNRSACZRPUHSBJ-JQWIXIFHSA-N 2 2 280.372 -0.840 20 0 CBADLP C[C@H](C(=O)N1C[C@@H](C[NH3+])C[C@H]1C)N1CC[NH2+]CC1=O ZINC000638149708 357426025 /nfs/dbraw/zinc/42/60/25/357426025.db2.gz SWLKLVBQMZVUSN-GMTAPVOTSA-N 2 2 268.361 -0.998 20 0 CBADLP CCN(C(=O)[C@@H](C)N1CC[NH2+]CC1=O)[C@@H]1CCC[NH2+]CC1 ZINC000638179065 357432161 /nfs/dbraw/zinc/43/21/61/357432161.db2.gz FAQBYDKTCFPFIP-CHWSQXEVSA-N 2 2 296.415 -0.203 20 0 CBADLP NS(=O)(=O)c1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000638186389 357432769 /nfs/dbraw/zinc/43/27/69/357432769.db2.gz SJNUDJGGJLEIRM-VXGBXAGGSA-N 2 2 281.381 -0.015 20 0 CBADLP C[C@@H](C(=O)N1CC[C@@](C)(C[NH3+])C1)N1CC[NH2+]CC1=O ZINC000638218548 357435786 /nfs/dbraw/zinc/43/57/86/357435786.db2.gz DAQPONXUEJGNHC-GWCFXTLKSA-N 2 2 268.361 -0.996 20 0 CBADLP C[C@H](C(=O)N1CCC[C@H](CC[NH3+])C1)N1CC[NH2+]CC1=O ZINC000638216644 357435939 /nfs/dbraw/zinc/43/59/39/357435939.db2.gz JUYQESGTWQCMIF-VXGBXAGGSA-N 2 2 282.388 -0.606 20 0 CBADLP CC(C)CC[C@H]([NH3+])C(=O)N1CC[NH+](CCO)CC1 ZINC000638228508 357438095 /nfs/dbraw/zinc/43/80/95/357438095.db2.gz ZBGVBHICIAXZBB-LBPRGKRZSA-N 2 2 257.378 -0.114 20 0 CBADLP CCCC[C@H](C[NH3+])NC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000637868128 357380447 /nfs/dbraw/zinc/38/04/47/357380447.db2.gz ZRVAVTLMUFDBHN-GHMZBOCLSA-N 2 2 270.377 -0.560 20 0 CBADLP C[C@H](C(=O)N[C@H]1[C@H](C)CC[NH2+][C@@H]1C)N1CC[NH2+]CC1=O ZINC000638231135 357440384 /nfs/dbraw/zinc/44/03/84/357440384.db2.gz NMXHOVHQAXUSNZ-UZWSLXQKSA-N 2 2 282.388 -0.691 20 0 CBADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000638571912 357495650 /nfs/dbraw/zinc/49/56/50/357495650.db2.gz BEBNOSMCRQCSQD-NWDGAFQWSA-N 2 2 284.404 -0.301 20 0 CBADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000638571912 357495656 /nfs/dbraw/zinc/49/56/56/357495656.db2.gz BEBNOSMCRQCSQD-NWDGAFQWSA-N 2 2 284.404 -0.301 20 0 CBADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cnc(N)nc2N)C1 ZINC000638587854 357498524 /nfs/dbraw/zinc/49/85/24/357498524.db2.gz IBNHGOWMKAGQNC-SECBINFHSA-N 2 2 250.350 -0.267 20 0 CBADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2cnc(N)nc2N)C1 ZINC000638587854 357498527 /nfs/dbraw/zinc/49/85/27/357498527.db2.gz IBNHGOWMKAGQNC-SECBINFHSA-N 2 2 250.350 -0.267 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CC[NH2+]CC1(F)F ZINC000638608937 357501506 /nfs/dbraw/zinc/50/15/06/357501506.db2.gz DBOHFTOPLJDVNF-VHSXEESVSA-N 2 2 277.315 -0.322 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CC[NH2+]CC1(F)F ZINC000638608937 357501509 /nfs/dbraw/zinc/50/15/09/357501509.db2.gz DBOHFTOPLJDVNF-VHSXEESVSA-N 2 2 277.315 -0.322 20 0 CBADLP COC1(C(=O)NC[C@H]2COCC[N@@H+]2C)CC[NH2+]CC1 ZINC000638612380 357503912 /nfs/dbraw/zinc/50/39/12/357503912.db2.gz VGVRRXKHQWOGMT-NSHDSACASA-N 2 2 271.361 -0.798 20 0 CBADLP COC1(C(=O)NC[C@H]2COCC[N@H+]2C)CC[NH2+]CC1 ZINC000638612380 357503917 /nfs/dbraw/zinc/50/39/17/357503917.db2.gz VGVRRXKHQWOGMT-NSHDSACASA-N 2 2 271.361 -0.798 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)C1([NH3+])Cc2ccccc2C1 ZINC000638612285 357504155 /nfs/dbraw/zinc/50/41/55/357504155.db2.gz UEWJBTQIPZCKSA-AWEZNQCLSA-N 2 2 289.379 -0.071 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)C1([NH3+])Cc2ccccc2C1 ZINC000638612285 357504158 /nfs/dbraw/zinc/50/41/58/357504158.db2.gz UEWJBTQIPZCKSA-AWEZNQCLSA-N 2 2 289.379 -0.071 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000638612351 357504188 /nfs/dbraw/zinc/50/41/88/357504188.db2.gz UWOUYPTZBVUMES-SGMGOOAPSA-N 2 2 267.373 -0.177 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000638612351 357504191 /nfs/dbraw/zinc/50/41/91/357504191.db2.gz UWOUYPTZBVUMES-SGMGOOAPSA-N 2 2 267.373 -0.177 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000638612040 357504360 /nfs/dbraw/zinc/50/43/60/357504360.db2.gz RYAFPENVVUSDHL-WDEREUQCSA-N 2 2 255.362 -0.179 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000638612040 357504361 /nfs/dbraw/zinc/50/43/61/357504361.db2.gz RYAFPENVVUSDHL-WDEREUQCSA-N 2 2 255.362 -0.179 20 0 CBADLP C[C@H]1C[C@@H](C(=O)NC[C@H]2COCC[N@@H+]2C)CC[NH2+]1 ZINC000638612071 357504373 /nfs/dbraw/zinc/50/43/73/357504373.db2.gz SFWCMFUYLUISQH-SRVKXCTJSA-N 2 2 255.362 -0.179 20 0 CBADLP C[C@H]1C[C@@H](C(=O)NC[C@H]2COCC[N@H+]2C)CC[NH2+]1 ZINC000638612071 357504375 /nfs/dbraw/zinc/50/43/75/357504375.db2.gz SFWCMFUYLUISQH-SRVKXCTJSA-N 2 2 255.362 -0.179 20 0 CBADLP CC[C@]1(C(=O)NC[C@H]2COCC[N@@H+]2C)CCC[NH2+]1 ZINC000638612968 357504826 /nfs/dbraw/zinc/50/48/26/357504826.db2.gz YVBIIVJNUQLXJQ-WCQYABFASA-N 2 2 255.362 -0.035 20 0 CBADLP CC[C@]1(C(=O)NC[C@H]2COCC[N@H+]2C)CCC[NH2+]1 ZINC000638612968 357504831 /nfs/dbraw/zinc/50/48/31/357504831.db2.gz YVBIIVJNUQLXJQ-WCQYABFASA-N 2 2 255.362 -0.035 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)C1(C[NH3+])CCCC1 ZINC000638612972 357505568 /nfs/dbraw/zinc/50/55/68/357505568.db2.gz YWFOMNHLDKCPGA-LLVKDONJSA-N 2 2 255.362 -0.048 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)C1(C[NH3+])CCCC1 ZINC000638612972 357505570 /nfs/dbraw/zinc/50/55/70/357505570.db2.gz YWFOMNHLDKCPGA-LLVKDONJSA-N 2 2 255.362 -0.048 20 0 CBADLP O=C(Cc1cn2c([nH+]1)CCCC2)NC[C@H]1COCC[NH2+]1 ZINC000638614538 357506347 /nfs/dbraw/zinc/50/63/47/357506347.db2.gz UJZCFHUXNGNCTK-LBPRGKRZSA-N 2 2 278.356 -0.134 20 0 CBADLP O=C(NC[C@@H]1COCC[NH2+]1)[C@H]1CCc2[nH+]ccn2C1 ZINC000638613753 357506904 /nfs/dbraw/zinc/50/69/04/357506904.db2.gz LHHQFLGMGQIAES-WDEREUQCSA-N 2 2 264.329 -0.450 20 0 CBADLP O=C(NC[C@@H]1COCC[NH2+]1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000638616317 357507531 /nfs/dbraw/zinc/50/75/31/357507531.db2.gz KQFRRLYATBYNHY-TZMCWYRMSA-N 2 2 297.399 -0.266 20 0 CBADLP O=C(NC[C@@H]1COCC[NH2+]1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000638616317 357507532 /nfs/dbraw/zinc/50/75/32/357507532.db2.gz KQFRRLYATBYNHY-TZMCWYRMSA-N 2 2 297.399 -0.266 20 0 CBADLP Cn1cc[nH+]c1CN1CCN(C(=O)[C@@H]2OCC[C@@H]2[NH3+])CC1 ZINC000638275916 357448076 /nfs/dbraw/zinc/44/80/76/357448076.db2.gz BQJRAFGCWZRHJQ-WCQYABFASA-N 2 2 293.371 -0.820 20 0 CBADLP C[C@@H](C(=O)N1CCC[C@@H]1C[NH+](C)C)N1CC[NH2+]CC1=O ZINC000638275285 357448094 /nfs/dbraw/zinc/44/80/94/357448094.db2.gz LTMKMWACCZOFBO-NWDGAFQWSA-N 2 2 282.388 -0.641 20 0 CBADLP C[C@@H](C(=O)N1CC[NH+]2CCC1CC2)N1CC[NH2+]CC1=O ZINC000638278518 357449345 /nfs/dbraw/zinc/44/93/45/357449345.db2.gz CUMMPCNEMVGCQH-NSHDSACASA-N 2 2 280.372 -0.887 20 0 CBADLP C[C@@H](C(=O)N1CCCC[C@H]1C[NH+](C)C)N1CC[NH2+]CC1=O ZINC000638277991 357449729 /nfs/dbraw/zinc/44/97/29/357449729.db2.gz XXNHDJFNNFHORH-STQMWFEESA-N 2 2 296.415 -0.251 20 0 CBADLP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638284209 357451986 /nfs/dbraw/zinc/45/19/86/357451986.db2.gz PICWKOOCNKQMKQ-QWHCGFSZSA-N 2 2 296.415 -0.395 20 0 CBADLP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638284209 357451989 /nfs/dbraw/zinc/45/19/89/357451989.db2.gz PICWKOOCNKQMKQ-QWHCGFSZSA-N 2 2 296.415 -0.395 20 0 CBADLP C[C@@H](C(=O)NC(C)(C)CC[NH3+])N1CC[NH2+]CC1=O ZINC000638355088 357461765 /nfs/dbraw/zinc/46/17/65/357461765.db2.gz DVZQRQBKDGFYAX-VIFPVBQESA-N 2 2 256.350 -0.950 20 0 CBADLP C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH3+])N1CC[NH2+]CC1=O ZINC000638364604 357462305 /nfs/dbraw/zinc/46/23/05/357462305.db2.gz MULVEPBISPOVFD-HBNTYKKESA-N 2 2 268.361 -0.807 20 0 CBADLP C[C@H](C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1)N1CC[NH2+]CC1=O ZINC000638366592 357462679 /nfs/dbraw/zinc/46/26/79/357462679.db2.gz PBALAJDAROFJJI-VXGBXAGGSA-N 2 2 294.399 -0.402 20 0 CBADLP C[C@@H](C(=O)N1CCC[C@@H](C)[C@@H]1CC[NH3+])N1CC[NH2+]CC1=O ZINC000638388828 357466178 /nfs/dbraw/zinc/46/61/78/357466178.db2.gz AOFLWRAPBULNRR-AGIUHOORSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@H](C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)N1CC[NH2+]CC1=O ZINC000638395749 357466652 /nfs/dbraw/zinc/46/66/52/357466652.db2.gz XTMGNCBTJSDUHF-UTUOFQBUSA-N 2 2 282.388 -0.737 20 0 CBADLP C[C@@H](C(=O)N1CCC(CC[NH3+])CC1)N1CC[NH2+]CC1=O ZINC000638392449 357467104 /nfs/dbraw/zinc/46/71/04/357467104.db2.gz FEQNSZWTMYPBMT-NSHDSACASA-N 2 2 282.388 -0.606 20 0 CBADLP CC[NH2+][C@H](C)C(=O)N1CC[NH+](CCOCCOC)CC1 ZINC000638396696 357467939 /nfs/dbraw/zinc/46/79/39/357467939.db2.gz LTWZZQGUJCTDCE-CYBMUJFWSA-N 2 2 287.404 -0.208 20 0 CBADLP C[C@@H](C(=O)N1CC[C@H]([NH3+])C[C@H]1C)N1CC[NH2+]CC1=O ZINC000638397091 357468498 /nfs/dbraw/zinc/46/84/98/357468498.db2.gz NUDPGUXORRXTAD-VWYCJHECSA-N 2 2 268.361 -0.855 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)CN2CC[NH2+]CC2)[C@@H](C)CO1 ZINC000638407602 357469016 /nfs/dbraw/zinc/46/90/16/357469016.db2.gz BUWPXGHLYCZNRD-QWHCGFSZSA-N 2 2 284.404 -0.883 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)CN2CC[NH2+]CC2)[C@@H](C)CO1 ZINC000638407602 357469019 /nfs/dbraw/zinc/46/90/19/357469019.db2.gz BUWPXGHLYCZNRD-QWHCGFSZSA-N 2 2 284.404 -0.883 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)CN2CC[NH2+]CC2)[C@H](C)CO1 ZINC000638407590 357469475 /nfs/dbraw/zinc/46/94/75/357469475.db2.gz BUWPXGHLYCZNRD-CHWSQXEVSA-N 2 2 284.404 -0.883 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)CN2CC[NH2+]CC2)[C@H](C)CO1 ZINC000638407590 357469478 /nfs/dbraw/zinc/46/94/78/357469478.db2.gz BUWPXGHLYCZNRD-CHWSQXEVSA-N 2 2 284.404 -0.883 20 0 CBADLP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)C1 ZINC000638405183 357469505 /nfs/dbraw/zinc/46/95/05/357469505.db2.gz AGRTZUISKLMGQX-XFMPKHEZSA-N 2 2 299.415 -0.021 20 0 CBADLP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)C1 ZINC000638405183 357469508 /nfs/dbraw/zinc/46/95/08/357469508.db2.gz AGRTZUISKLMGQX-XFMPKHEZSA-N 2 2 299.415 -0.021 20 0 CBADLP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000638414014 357471433 /nfs/dbraw/zinc/47/14/33/357471433.db2.gz KUQXOEJGZILYHY-VNHYZAJKSA-N 2 2 297.399 -0.314 20 0 CBADLP [NH3+][C@H]1CC=C(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000638413863 357471452 /nfs/dbraw/zinc/47/14/52/357471452.db2.gz HCQPRWCOTWKPPR-STQMWFEESA-N 2 2 265.357 -0.033 20 0 CBADLP C[C@@H](NC(=O)[C@]1(C)C[NH2+]CCO1)c1[nH+]ccn1C ZINC000638429128 357475516 /nfs/dbraw/zinc/47/55/16/357475516.db2.gz HDKIABNAZQUODB-SKDRFNHKSA-N 2 2 252.318 -0.024 20 0 CBADLP C[C@@H](NC(=O)CN1CC[NH2+]CC1)c1[nH+]ccn1C ZINC000638429623 357475660 /nfs/dbraw/zinc/47/56/60/357475660.db2.gz LOVLSTDFOKQYGC-SNVBAGLBSA-N 2 2 251.334 -0.498 20 0 CBADLP C[C@H](C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1)N1CC[NH2+]CC1=O ZINC000638440807 357477530 /nfs/dbraw/zinc/47/75/30/357477530.db2.gz BOJUBYHOYQUECH-UHIISALHSA-N 2 2 280.372 -0.854 20 0 CBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C1([NH3+])CCCC1 ZINC000638446775 357478931 /nfs/dbraw/zinc/47/89/31/357478931.db2.gz SDJWYEZRVBKPIZ-GFCCVEGCSA-N 2 2 285.388 -0.591 20 0 CBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1CCC[NH2+]CC1 ZINC000638444865 357478946 /nfs/dbraw/zinc/47/89/46/357478946.db2.gz BNSMPVIPTVSNDG-KBPBESRZSA-N 2 2 299.415 -0.472 20 0 CBADLP C[C@@H]1CC[NH2+][C@@H](C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C1 ZINC000638444871 357479077 /nfs/dbraw/zinc/47/90/77/357479077.db2.gz BTBYOCNRROANRW-HZSPNIEDSA-N 2 2 299.415 -0.474 20 0 CBADLP COc1ccccc1[C@@H]([NH3+])C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000638624030 357512981 /nfs/dbraw/zinc/51/29/81/357512981.db2.gz MUJSZYCGAFGHAL-ZWNOBZJWSA-N 2 2 279.340 -0.200 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@H]1CO[C@@H](C2CC2)C1 ZINC000638693955 357521842 /nfs/dbraw/zinc/52/18/42/357521842.db2.gz AYLPWQPPAYEJSP-GRYCIOLGSA-N 2 2 255.362 -0.051 20 0 CBADLP C[C@@H]1C[C@@H]([NH2+]Cc2cnc(N)nc2N)CC[N@@H+]1C ZINC000638707131 357523064 /nfs/dbraw/zinc/52/30/64/357523064.db2.gz IOAPWTPIQGNAGJ-SCZZXKLOSA-N 2 2 250.350 -0.126 20 0 CBADLP C[C@@H]1C[C@@H]([NH2+]Cc2cnc(N)nc2N)CC[N@H+]1C ZINC000638707131 357523066 /nfs/dbraw/zinc/52/30/66/357523066.db2.gz IOAPWTPIQGNAGJ-SCZZXKLOSA-N 2 2 250.350 -0.126 20 0 CBADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000639507229 357575350 /nfs/dbraw/zinc/57/53/50/357575350.db2.gz ORKKCRKVKBGYHQ-NSHDSACASA-N 2 2 286.401 -0.037 20 0 CBADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000639507229 357575351 /nfs/dbraw/zinc/57/53/51/357575351.db2.gz ORKKCRKVKBGYHQ-NSHDSACASA-N 2 2 286.401 -0.037 20 0 CBADLP CC(=O)NC[C@H]1CCCCN1C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000638793630 357529182 /nfs/dbraw/zinc/52/91/82/357529182.db2.gz COFMTHNVARETCP-OLZOCXBDSA-N 2 2 284.404 -0.217 20 0 CBADLP C[C@@H](C(=O)N1CCCCC[C@@H]([NH3+])C1)N1CC[NH2+]CC1=O ZINC000638814532 357533547 /nfs/dbraw/zinc/53/35/47/357533547.db2.gz CVGNWIDTYJCAPW-NWDGAFQWSA-N 2 2 282.388 -0.463 20 0 CBADLP CCNC(=O)C[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638847419 357536689 /nfs/dbraw/zinc/53/66/89/357536689.db2.gz NUIXNXIQTQXQHE-UHFFFAOYSA-N 2 2 257.378 -0.053 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000638932685 357545319 /nfs/dbraw/zinc/54/53/19/357545319.db2.gz UFNWGPHYNPNEOM-QWRGUYRKSA-N 2 2 270.377 -0.609 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000638932685 357545326 /nfs/dbraw/zinc/54/53/26/357545326.db2.gz UFNWGPHYNPNEOM-QWRGUYRKSA-N 2 2 270.377 -0.609 20 0 CBADLP O=C(Nc1cc(N2CC[NH2+]CC2)ccn1)[C@H]1COCC[NH2+]1 ZINC000638984838 357549021 /nfs/dbraw/zinc/54/90/21/357549021.db2.gz TVHLVUNFCYQDBJ-GFCCVEGCSA-N 2 2 291.355 -0.582 20 0 CBADLP C[C@@H]([NH3+])C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000639002995 357549730 /nfs/dbraw/zinc/54/97/30/357549730.db2.gz CKTIDNUIIRTMBV-LLVKDONJSA-N 2 2 263.345 -0.490 20 0 CBADLP O=C([C@@H]1CCC[NH2+]1)N1CC[NH+](CCc2cnccn2)CC1 ZINC000639003285 357550181 /nfs/dbraw/zinc/55/01/81/357550181.db2.gz GAWCGBJKTYBPJC-AWEZNQCLSA-N 2 2 289.383 -0.085 20 0 CBADLP C[C@@H]([NH3+])CC(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000639005621 357551498 /nfs/dbraw/zinc/55/14/98/357551498.db2.gz YJKXKISHXBRSNN-GFCCVEGCSA-N 2 2 277.372 -0.099 20 0 CBADLP C[C@@H](C(=O)N(C)Cc1[nH]cc[nH+]1)N1CC[NH2+]CC1=O ZINC000639016059 357551948 /nfs/dbraw/zinc/55/19/48/357551948.db2.gz DEDQIJNBOUGECZ-VIFPVBQESA-N 2 2 265.317 -0.812 20 0 CBADLP C[N@@H+]1CC[C@@H]2OCCN(Cc3c[nH+]c(N)nc3N)[C@@H]2C1 ZINC000639151655 357559517 /nfs/dbraw/zinc/55/95/17/357559517.db2.gz NGYHZBRFEFNJMT-MNOVXSKESA-N 2 2 278.360 -0.793 20 0 CBADLP C[N@H+]1CC[C@@H]2OCCN(Cc3c[nH+]c(N)nc3N)[C@@H]2C1 ZINC000639151655 357559518 /nfs/dbraw/zinc/55/95/18/357559518.db2.gz NGYHZBRFEFNJMT-MNOVXSKESA-N 2 2 278.360 -0.793 20 0 CBADLP C[N@@H+]1CC[C@@H]2OCCN(Cc3c[nH+]c(N)nc3N)[C@H]2C1 ZINC000639151656 357559559 /nfs/dbraw/zinc/55/95/59/357559559.db2.gz NGYHZBRFEFNJMT-QWRGUYRKSA-N 2 2 278.360 -0.793 20 0 CBADLP C[N@H+]1CC[C@@H]2OCCN(Cc3c[nH+]c(N)nc3N)[C@H]2C1 ZINC000639151656 357559562 /nfs/dbraw/zinc/55/95/62/357559562.db2.gz NGYHZBRFEFNJMT-QWRGUYRKSA-N 2 2 278.360 -0.793 20 0 CBADLP CC[C@H]1C[N@@H+](C)CCN1Cc1c[nH+]c(N)nc1N ZINC000639211604 357561502 /nfs/dbraw/zinc/56/15/02/357561502.db2.gz PNZZLMCILAZPGW-JTQLQIEISA-N 2 2 250.350 -0.172 20 0 CBADLP C[C@@H]1CN(Cc2c[nH+]c(N)nc2N)C[C@H](C)[N@@H+]1C ZINC000639209143 357561898 /nfs/dbraw/zinc/56/18/98/357561898.db2.gz NTYZDAIQNRTWLB-DTORHVGOSA-N 2 2 250.350 -0.174 20 0 CBADLP COCC[N@@H+]1CCN(Cc2c[nH+]c(N)nc2N)C(C)(C)C1 ZINC000639294403 357566283 /nfs/dbraw/zinc/56/62/83/357566283.db2.gz FOLCUZGWUFDHGU-UHFFFAOYSA-N 2 2 294.403 -0.156 20 0 CBADLP COCC[N@H+]1CCN(Cc2c[nH+]c(N)nc2N)C(C)(C)C1 ZINC000639294403 357566284 /nfs/dbraw/zinc/56/62/84/357566284.db2.gz FOLCUZGWUFDHGU-UHFFFAOYSA-N 2 2 294.403 -0.156 20 0 CBADLP CO[C@@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)[C@](C)(CO)C1 ZINC000640008499 357628695 /nfs/dbraw/zinc/62/86/95/357628695.db2.gz IURNEUOILLXXOX-JSGCOSHPSA-N 2 2 285.388 -0.768 20 0 CBADLP CO[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)[C@](C)(CO)C1 ZINC000640008499 357628698 /nfs/dbraw/zinc/62/86/98/357628698.db2.gz IURNEUOILLXXOX-JSGCOSHPSA-N 2 2 285.388 -0.768 20 0 CBADLP C[NH+](C)C[C@]1(O)CCC[N@H+](CCC(=O)N2CCOCC2)C1 ZINC000639763405 357595486 /nfs/dbraw/zinc/59/54/86/357595486.db2.gz RKFJLSQEJXWFGJ-OAHLLOKOSA-N 2 2 299.415 -0.376 20 0 CBADLP C[NH+](C)C[C@]1(O)CCC[N@@H+](CCC(=O)N2CCOCC2)C1 ZINC000639763405 357595490 /nfs/dbraw/zinc/59/54/90/357595490.db2.gz RKFJLSQEJXWFGJ-OAHLLOKOSA-N 2 2 299.415 -0.376 20 0 CBADLP C[NH+](C)C[C@]1(O)CCC[N@H+](CCN2C(=O)CCC2=O)C1 ZINC000639762202 357596223 /nfs/dbraw/zinc/59/62/23/357596223.db2.gz HKRQPQZEYYCWOG-CQSZACIVSA-N 2 2 283.372 -0.476 20 0 CBADLP C[NH+](C)C[C@]1(O)CCC[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC000639762202 357596226 /nfs/dbraw/zinc/59/62/26/357596226.db2.gz HKRQPQZEYYCWOG-CQSZACIVSA-N 2 2 283.372 -0.476 20 0 CBADLP O[C@H]1C[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C[C@@H]1O ZINC000639891073 357616867 /nfs/dbraw/zinc/61/68/67/357616867.db2.gz WHMQKGVZQIBUQJ-JYJNAYRXSA-N 2 2 292.379 -0.339 20 0 CBADLP O[C@H]1C[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C[C@@H]1O ZINC000639891073 357616871 /nfs/dbraw/zinc/61/68/71/357616871.db2.gz WHMQKGVZQIBUQJ-JYJNAYRXSA-N 2 2 292.379 -0.339 20 0 CBADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)[C@@H](C[NH3+])C1 ZINC000641194525 357678435 /nfs/dbraw/zinc/67/84/35/357678435.db2.gz NSXYFCNMJCIKRT-TUAOUCFPSA-N 3 2 269.393 -0.459 20 0 CBADLP C[N@H+]1CCN(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)[C@@H](C[NH3+])C1 ZINC000641194525 357678440 /nfs/dbraw/zinc/67/84/40/357678440.db2.gz NSXYFCNMJCIKRT-TUAOUCFPSA-N 3 2 269.393 -0.459 20 0 CBADLP CC(C)(CNC(=O)C[N@@H+]1C[C@H]2C[C@@]2(O)C1)[NH+]1CCOCC1 ZINC000640473697 357654803 /nfs/dbraw/zinc/65/48/03/357654803.db2.gz KLOOTNXEGHKHRF-IUODEOHRSA-N 2 2 297.399 -0.720 20 0 CBADLP CC(C)(CNC(=O)C[N@H+]1C[C@H]2C[C@@]2(O)C1)[NH+]1CCOCC1 ZINC000640473697 357654806 /nfs/dbraw/zinc/65/48/06/357654806.db2.gz KLOOTNXEGHKHRF-IUODEOHRSA-N 2 2 297.399 -0.720 20 0 CBADLP Cc1nn(CC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c(=O)o1 ZINC000640699779 357661852 /nfs/dbraw/zinc/66/18/52/357661852.db2.gz FZMVXQIEHBRZRR-UHFFFAOYSA-N 2 2 299.375 -0.856 20 0 CBADLP Cc1nn(CC(=O)NCC[N@H+](C)CCC[NH+](C)C)c(=O)o1 ZINC000640699779 357661855 /nfs/dbraw/zinc/66/18/55/357661855.db2.gz FZMVXQIEHBRZRR-UHFFFAOYSA-N 2 2 299.375 -0.856 20 0 CBADLP C[N@H+]1C[C@H]2[C@@H](CCN2S(=O)(=O)CCn2cc[nH+]c2)C1 ZINC000641508668 357714786 /nfs/dbraw/zinc/71/47/86/357714786.db2.gz ROYFESLYVKOIFL-RYUDHWBXSA-N 2 2 284.385 -0.151 20 0 CBADLP C[N@@H+]1C[C@H]2[C@@H](CCN2S(=O)(=O)CCn2cc[nH+]c2)C1 ZINC000641508668 357714790 /nfs/dbraw/zinc/71/47/90/357714790.db2.gz ROYFESLYVKOIFL-RYUDHWBXSA-N 2 2 284.385 -0.151 20 0 CBADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000574042752 334987320 /nfs/dbraw/zinc/98/73/20/334987320.db2.gz CENQQVBLNMBHMH-TXEJJXNPSA-N 3 2 268.405 -0.134 20 0 CBADLP C[NH+](C)C[C@](C)(O)CNS(=O)(=O)CCn1cc[nH+]c1 ZINC000641395011 357700182 /nfs/dbraw/zinc/70/01/82/357700182.db2.gz WGRMOSRYKWLIMZ-LLVKDONJSA-N 2 2 290.389 -0.885 20 0 CBADLP C[C@@H]([NH3+])CNC(=O)C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000642789293 357763316 /nfs/dbraw/zinc/76/33/16/357763316.db2.gz ZPQXXDYJKMFHCH-MFKMUULPSA-N 2 2 290.367 -0.247 20 0 CBADLP C[C@@H]([NH3+])CNC(=O)C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000642789293 357763321 /nfs/dbraw/zinc/76/33/21/357763321.db2.gz ZPQXXDYJKMFHCH-MFKMUULPSA-N 2 2 290.367 -0.247 20 0 CBADLP C[C@H]1CN(C(=O)C(=O)N2CC[NH+](C3CC3)CC2)C[C@H](C)[NH2+]1 ZINC000643483874 357786059 /nfs/dbraw/zinc/78/60/59/357786059.db2.gz MOTOJNKIAJIIPS-RYUDHWBXSA-N 2 2 294.399 -0.498 20 0 CBADLP C[C@H](O)CNc1cc(NC[C@H]2C[N@H+](C)CCN2C)nc[nH+]1 ZINC000294458698 199047933 /nfs/dbraw/zinc/04/79/33/199047933.db2.gz QJZFUYZOIFFSME-RYUDHWBXSA-N 2 2 294.403 -0.073 20 0 CBADLP C[C@H](O)CNc1cc(NC[C@H]2C[N@@H+](C)CCN2C)nc[nH+]1 ZINC000294458698 199047935 /nfs/dbraw/zinc/04/79/35/199047935.db2.gz QJZFUYZOIFFSME-RYUDHWBXSA-N 2 2 294.403 -0.073 20 0 CBADLP CNC(=O)NC(=O)CC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000172936096 283348773 /nfs/dbraw/zinc/34/87/73/283348773.db2.gz DYHXCKHXVUKOCA-LBPRGKRZSA-N 2 2 298.387 -0.514 20 0 CBADLP CNC(=O)NC(=O)CC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000172936096 283348778 /nfs/dbraw/zinc/34/87/78/283348778.db2.gz DYHXCKHXVUKOCA-LBPRGKRZSA-N 2 2 298.387 -0.514 20 0 CBADLP C[N@@H+]1CCO[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC000329211145 202234281 /nfs/dbraw/zinc/23/42/81/202234281.db2.gz ZCYYFYRVTKRERM-RYUDHWBXSA-N 2 2 264.329 -0.185 20 0 CBADLP C[N@H+]1CCO[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC000329211145 202234283 /nfs/dbraw/zinc/23/42/83/202234283.db2.gz ZCYYFYRVTKRERM-RYUDHWBXSA-N 2 2 264.329 -0.185 20 0 CBADLP C[N@@H+]1CCO[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC000329211149 202234972 /nfs/dbraw/zinc/23/49/72/202234972.db2.gz ZCYYFYRVTKRERM-VXGBXAGGSA-N 2 2 264.329 -0.185 20 0 CBADLP C[N@H+]1CCO[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC000329211149 202234973 /nfs/dbraw/zinc/23/49/73/202234973.db2.gz ZCYYFYRVTKRERM-VXGBXAGGSA-N 2 2 264.329 -0.185 20 0 CBADLP CNC(=O)NC(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158928393 283356233 /nfs/dbraw/zinc/35/62/33/283356233.db2.gz DAPXHFRXJRTXPP-MNOVXSKESA-N 2 2 268.361 -0.142 20 0 CBADLP CNC(=O)NC(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158928393 283356236 /nfs/dbraw/zinc/35/62/36/283356236.db2.gz DAPXHFRXJRTXPP-MNOVXSKESA-N 2 2 268.361 -0.142 20 0 CBADLP CNC(=O)NC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158928393 283356239 /nfs/dbraw/zinc/35/62/39/283356239.db2.gz DAPXHFRXJRTXPP-MNOVXSKESA-N 2 2 268.361 -0.142 20 0 CBADLP CNC(=O)NC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158928393 283356244 /nfs/dbraw/zinc/35/62/44/283356244.db2.gz DAPXHFRXJRTXPP-MNOVXSKESA-N 2 2 268.361 -0.142 20 0 CBADLP CNC(=O)NC(=O)C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000363414193 283356726 /nfs/dbraw/zinc/35/67/26/283356726.db2.gz LDCCMFDMHCLSRB-WOPDTQHZSA-N 2 2 280.372 -0.142 20 0 CBADLP CNC(=O)NC(=O)C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000363414193 283356728 /nfs/dbraw/zinc/35/67/28/283356728.db2.gz LDCCMFDMHCLSRB-WOPDTQHZSA-N 2 2 280.372 -0.142 20 0 CBADLP CNC(=O)NC(=O)C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000363414193 283356730 /nfs/dbraw/zinc/35/67/30/283356730.db2.gz LDCCMFDMHCLSRB-WOPDTQHZSA-N 2 2 280.372 -0.142 20 0 CBADLP CNC(=O)NC(=O)C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000363414193 283356731 /nfs/dbraw/zinc/35/67/31/283356731.db2.gz LDCCMFDMHCLSRB-WOPDTQHZSA-N 2 2 280.372 -0.142 20 0 CBADLP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114199693 283364218 /nfs/dbraw/zinc/36/42/18/283364218.db2.gz CNZJETZQMKOIQY-VHSXEESVSA-N 2 2 256.350 -0.286 20 0 CBADLP CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114199693 283364220 /nfs/dbraw/zinc/36/42/20/283364220.db2.gz CNZJETZQMKOIQY-VHSXEESVSA-N 2 2 256.350 -0.286 20 0 CBADLP CNC(=O)[C@@H]1CCC[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000351448026 283396292 /nfs/dbraw/zinc/39/62/92/283396292.db2.gz WDMZZALSUSUPKT-RYUDHWBXSA-N 2 2 255.362 -0.348 20 0 CBADLP CNC(=O)[C@@H]1CCC[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000351448026 283396293 /nfs/dbraw/zinc/39/62/93/283396293.db2.gz WDMZZALSUSUPKT-RYUDHWBXSA-N 2 2 255.362 -0.348 20 0 CBADLP CNC(=O)[C@@H]1CCC[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351448026 283396294 /nfs/dbraw/zinc/39/62/94/283396294.db2.gz WDMZZALSUSUPKT-RYUDHWBXSA-N 2 2 255.362 -0.348 20 0 CBADLP CNC(=O)[C@@H]1CCC[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351448026 283396295 /nfs/dbraw/zinc/39/62/95/283396295.db2.gz WDMZZALSUSUPKT-RYUDHWBXSA-N 2 2 255.362 -0.348 20 0 CBADLP COC(=O)NCCCC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000496501375 291197787 /nfs/dbraw/zinc/19/77/87/291197787.db2.gz YZAUXNSOWJLPDE-JTQLQIEISA-N 2 2 272.349 -0.776 20 0 CBADLP COC(=O)NCCCC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000496501375 291197789 /nfs/dbraw/zinc/19/77/89/291197789.db2.gz YZAUXNSOWJLPDE-JTQLQIEISA-N 2 2 272.349 -0.776 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2CCn3c[nH+]cc3C2)CC1 ZINC000297616939 200242673 /nfs/dbraw/zinc/24/26/73/200242673.db2.gz VNNFISKHBLCWSG-UHFFFAOYSA-N 2 2 291.355 -0.611 20 0 CBADLP CC[N@@H+]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)[C@@H](C)C1 ZINC000341781232 216102176 /nfs/dbraw/zinc/10/21/76/216102176.db2.gz VBIRHKBVPVABBR-RYUDHWBXSA-N 2 2 255.362 -0.130 20 0 CBADLP CC[N@H+]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)[C@@H](C)C1 ZINC000341781232 216102178 /nfs/dbraw/zinc/10/21/78/216102178.db2.gz VBIRHKBVPVABBR-RYUDHWBXSA-N 2 2 255.362 -0.130 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)[C@@H](C)C1 ZINC000341781232 216102180 /nfs/dbraw/zinc/10/21/80/216102180.db2.gz VBIRHKBVPVABBR-RYUDHWBXSA-N 2 2 255.362 -0.130 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)[C@@H](C)C1 ZINC000341781232 216102181 /nfs/dbraw/zinc/10/21/81/216102181.db2.gz VBIRHKBVPVABBR-RYUDHWBXSA-N 2 2 255.362 -0.130 20 0 CBADLP C[NH2+]CC(=O)N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC000178886925 189152442 /nfs/dbraw/zinc/15/24/42/189152442.db2.gz ARNUQUWNGFHRGP-UHFFFAOYSA-N 2 2 279.388 -0.099 20 0 CBADLP [NH3+]C1(C[NH2+]CC(=O)N2CCN(C(=O)C3CC3)CC2)CCC1 ZINC000342135856 216233776 /nfs/dbraw/zinc/23/37/76/216233776.db2.gz QKAFMPCMMKLRHC-UHFFFAOYSA-N 2 2 294.399 -0.462 20 0 CBADLP C[C@H](NC(=O)C[NH2+]CC1([NH3+])CCC1)C(=O)N1CCCCC1 ZINC000342150856 216240437 /nfs/dbraw/zinc/24/04/37/216240437.db2.gz ZSAOEKOJCOMGTD-LBPRGKRZSA-N 2 2 296.415 -0.025 20 0 CBADLP C[C@@H](C(=O)N1CCO[C@@H](C[NH+](C)C)C1)[NH+]1CCOCC1 ZINC000342376411 216330622 /nfs/dbraw/zinc/33/06/22/216330622.db2.gz IWSWBAPLRXUFFD-STQMWFEESA-N 2 2 285.388 -0.504 20 0 CBADLP COC[C@H](O)C[NH+]1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000183775195 189367856 /nfs/dbraw/zinc/36/78/56/189367856.db2.gz KZTNEJKHVUXPBU-GFCCVEGCSA-N 2 2 266.345 -0.086 20 0 CBADLP CC[N@@H+]1CCOC[C@@H]1C(=O)N[C@@H](C)CC[NH+]1CCOCC1 ZINC000342474789 216363807 /nfs/dbraw/zinc/36/38/07/216363807.db2.gz MWLNZVHFKAKEOS-UONOGXRCSA-N 2 2 299.415 -0.066 20 0 CBADLP CC[N@H+]1CCOC[C@@H]1C(=O)N[C@@H](C)CC[NH+]1CCOCC1 ZINC000342474789 216363810 /nfs/dbraw/zinc/36/38/10/216363810.db2.gz MWLNZVHFKAKEOS-UONOGXRCSA-N 2 2 299.415 -0.066 20 0 CBADLP NC(=O)c1c[nH+]ccc1NCC[NH+]1CCOCC1 ZINC000302009362 201297001 /nfs/dbraw/zinc/29/70/01/201297001.db2.gz BTCJUMAPSQRCHG-UHFFFAOYSA-N 2 2 250.302 -0.075 20 0 CBADLP CC(=O)N1CC[NH+](CCNc2cc[nH+]cc2C(N)=O)CC1 ZINC000302043952 201315977 /nfs/dbraw/zinc/31/59/77/201315977.db2.gz SSDOLAWBDDBFJL-UHFFFAOYSA-N 2 2 291.355 -0.244 20 0 CBADLP CN(C)c1[nH+]cc(CNC(=O)[C@H]2C[C@H](F)C[NH2+]2)n1C ZINC000275520606 193064963 /nfs/dbraw/zinc/06/49/63/193064963.db2.gz JWHRHLOJFDLKNC-WCBMZHEXSA-N 2 2 269.324 -0.198 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@H](CO)C[NH+]2CCCCC2)C1 ZINC000330607621 203032475 /nfs/dbraw/zinc/03/24/75/203032475.db2.gz LXHNTZNIHUDNSC-QWHCGFSZSA-N 2 2 285.388 -0.720 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N[C@H](CO)C[NH+]2CCCCC2)C1 ZINC000330607621 203032477 /nfs/dbraw/zinc/03/24/77/203032477.db2.gz LXHNTZNIHUDNSC-QWHCGFSZSA-N 2 2 285.388 -0.720 20 0 CBADLP CC[N@H+](C)C[C@@H](O)CN(C)[C@@H]1CC[NH+]2CCO[C@H]1C2 ZINC000574288657 335007250 /nfs/dbraw/zinc/00/72/50/335007250.db2.gz QDLKRYSVDDECLF-MCIONIFRSA-N 2 2 271.405 -0.296 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)CN(C)[C@@H]1CC[NH+]2CCO[C@H]1C2 ZINC000574288657 335007252 /nfs/dbraw/zinc/00/72/52/335007252.db2.gz QDLKRYSVDDECLF-MCIONIFRSA-N 2 2 271.405 -0.296 20 0 CBADLP CC[NH+](C)C[C@@H](O)CN(C)[C@@H]1CC[N@@H+]2CCO[C@H]1C2 ZINC000574288657 335007253 /nfs/dbraw/zinc/00/72/53/335007253.db2.gz QDLKRYSVDDECLF-MCIONIFRSA-N 2 2 271.405 -0.296 20 0 CBADLP CC[NH+](C)C[C@@H](O)CN(C)[C@@H]1CC[N@H+]2CCO[C@H]1C2 ZINC000574288657 335007255 /nfs/dbraw/zinc/00/72/55/335007255.db2.gz QDLKRYSVDDECLF-MCIONIFRSA-N 2 2 271.405 -0.296 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+](C)[C@@H]1CCN2CCO[C@H]1C2 ZINC000574288657 335007256 /nfs/dbraw/zinc/00/72/56/335007256.db2.gz QDLKRYSVDDECLF-MCIONIFRSA-N 2 2 271.405 -0.296 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@@H]1CCN2CCO[C@H]1C2 ZINC000574288657 335007258 /nfs/dbraw/zinc/00/72/58/335007258.db2.gz QDLKRYSVDDECLF-MCIONIFRSA-N 2 2 271.405 -0.296 20 0 CBADLP Cc1nc(N2CC[NH+](CCN3CC[NH2+]CC3)CC2)cc[nH+]1 ZINC000574324338 335010601 /nfs/dbraw/zinc/01/06/01/335010601.db2.gz HHLLZKSQEZWXFJ-UHFFFAOYSA-N 3 2 290.415 -0.188 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](N2CCCC2=O)C1 ZINC000574336479 335011730 /nfs/dbraw/zinc/01/17/30/335011730.db2.gz QXUFXKYREZZCHP-KBPBESRZSA-N 2 2 299.415 -0.378 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](N2CCCC2=O)C1 ZINC000574336479 335011731 /nfs/dbraw/zinc/01/17/31/335011731.db2.gz QXUFXKYREZZCHP-KBPBESRZSA-N 2 2 299.415 -0.378 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000574336479 335011733 /nfs/dbraw/zinc/01/17/33/335011733.db2.gz QXUFXKYREZZCHP-KBPBESRZSA-N 2 2 299.415 -0.378 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000574336479 335011735 /nfs/dbraw/zinc/01/17/35/335011735.db2.gz QXUFXKYREZZCHP-KBPBESRZSA-N 2 2 299.415 -0.378 20 0 CBADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]2C(=O)NC)CC1 ZINC000330722504 203155166 /nfs/dbraw/zinc/15/51/66/203155166.db2.gz YBVVDILVVWLVRZ-ZDUSSCGKSA-N 2 2 296.415 -0.203 20 0 CBADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]2C(=O)NC)CC1 ZINC000330722504 203155170 /nfs/dbraw/zinc/15/51/70/203155170.db2.gz YBVVDILVVWLVRZ-ZDUSSCGKSA-N 2 2 296.415 -0.203 20 0 CBADLP COC(=O)C[C@@]1([NH2+]CC(=O)N2CC[NH+](C)CC2)CCOC1 ZINC000330924892 203393226 /nfs/dbraw/zinc/39/32/26/203393226.db2.gz VFTZLTPOVMIFFB-AWEZNQCLSA-N 2 2 299.371 -0.928 20 0 CBADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCCCn1cc[nH+]c1 ZINC000331701743 204088362 /nfs/dbraw/zinc/08/83/62/204088362.db2.gz FTFVPOQPBQURQN-ZDUSSCGKSA-N 2 2 294.403 -0.182 20 0 CBADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NCCCn1cc[nH+]c1 ZINC000331701743 204088365 /nfs/dbraw/zinc/08/83/65/204088365.db2.gz FTFVPOQPBQURQN-ZDUSSCGKSA-N 2 2 294.403 -0.182 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)NCC2([NH3+])CCC2)CC1 ZINC000331836592 204220029 /nfs/dbraw/zinc/22/00/29/204220029.db2.gz FQLHOCNCCWPABB-UHFFFAOYSA-N 2 2 268.361 -0.852 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@H](C)CN2CC[NH+](C)CC2)C1 ZINC000353317553 220025592 /nfs/dbraw/zinc/02/55/92/220025592.db2.gz WEUAUSBFWJTQLN-KGLIPLIRSA-N 2 2 298.431 -0.541 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)N[C@H](C)CN2CC[NH+](C)CC2)C1 ZINC000353317553 220025593 /nfs/dbraw/zinc/02/55/93/220025593.db2.gz WEUAUSBFWJTQLN-KGLIPLIRSA-N 2 2 298.431 -0.541 20 0 CBADLP C[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000332183043 204515181 /nfs/dbraw/zinc/51/51/81/204515181.db2.gz PCJRPWJLYCUEGW-AVGNSLFASA-N 2 2 294.399 -0.654 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)C1 ZINC000353333789 220030837 /nfs/dbraw/zinc/03/08/37/220030837.db2.gz ZMKFWPHUSPBPSE-IHRRRGAJSA-N 2 2 299.415 -0.068 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)C1 ZINC000353333789 220030840 /nfs/dbraw/zinc/03/08/40/220030840.db2.gz ZMKFWPHUSPBPSE-IHRRRGAJSA-N 2 2 299.415 -0.068 20 0 CBADLP [NH3+]C1(C(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)CC1 ZINC000353339267 220035036 /nfs/dbraw/zinc/03/50/36/220035036.db2.gz WEULFUYOPZKUDC-UHFFFAOYSA-N 2 2 294.399 -0.462 20 0 CBADLP CO[C@H]1CC[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000344415144 217185799 /nfs/dbraw/zinc/18/57/99/217185799.db2.gz UUNFBSSOXVXLJI-ZDUSSCGKSA-N 2 2 299.415 -0.066 20 0 CBADLP CO[C@H]1CC[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000344415144 217185801 /nfs/dbraw/zinc/18/58/01/217185801.db2.gz UUNFBSSOXVXLJI-ZDUSSCGKSA-N 2 2 299.415 -0.066 20 0 CBADLP C[C@H](O)C(=O)N1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000346999673 299434726 /nfs/dbraw/zinc/43/47/26/299434726.db2.gz YWELMNIHBQVCLQ-RYUDHWBXSA-N 2 2 255.362 -0.489 20 0 CBADLP CC1(C)COCC[N@@H+]1CCNC(=O)N[C@@H]1CC[NH2+]C1 ZINC000333146378 205070729 /nfs/dbraw/zinc/07/07/29/205070729.db2.gz DSFIXNCJXVXRBT-LLVKDONJSA-N 2 2 270.377 -0.242 20 0 CBADLP CC1(C)COCC[N@H+]1CCNC(=O)N[C@@H]1CC[NH2+]C1 ZINC000333146378 205070733 /nfs/dbraw/zinc/07/07/33/205070733.db2.gz DSFIXNCJXVXRBT-LLVKDONJSA-N 2 2 270.377 -0.242 20 0 CBADLP O=C(CN1CC[NH2+]CC1)NCCCn1cc[nH+]c1 ZINC000020521243 372757946 /nfs/dbraw/zinc/75/79/46/372757946.db2.gz KOPLCFXIRQOICP-UHFFFAOYSA-N 2 2 251.334 -0.705 20 0 CBADLP Cc1ccc2[nH+]c(CNC(=O)[C@H]([NH3+])CC(N)=O)cn2c1 ZINC000353434668 220079439 /nfs/dbraw/zinc/07/94/39/220079439.db2.gz CWIQXWRQLQSMFB-SNVBAGLBSA-N 2 2 275.312 -0.538 20 0 CBADLP Cc1ccc2[nH+]c(CNC(=O)[C@@H]([NH3+])CC(N)=O)cn2c1 ZINC000353434667 220079725 /nfs/dbraw/zinc/07/97/25/220079725.db2.gz CWIQXWRQLQSMFB-JTQLQIEISA-N 2 2 275.312 -0.538 20 0 CBADLP CC[N@@H+]1CCO[C@@H](CN2CC[NH+](CCC(=O)OC)CC2)C1 ZINC000113163983 372789295 /nfs/dbraw/zinc/78/92/95/372789295.db2.gz BCLMGXWXPGDJDE-CQSZACIVSA-N 2 2 299.415 -0.112 20 0 CBADLP CC[N@H+]1CCO[C@@H](CN2CC[NH+](CCC(=O)OC)CC2)C1 ZINC000113163983 372789305 /nfs/dbraw/zinc/78/93/05/372789305.db2.gz BCLMGXWXPGDJDE-CQSZACIVSA-N 2 2 299.415 -0.112 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C[C@H]1C[NH2+]CCO1 ZINC000091299614 372773903 /nfs/dbraw/zinc/77/39/03/372773903.db2.gz RFFFWVXLVRYFEJ-QWRGUYRKSA-N 2 2 252.318 -0.234 20 0 CBADLP CC[C@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000353423877 220076493 /nfs/dbraw/zinc/07/64/93/220076493.db2.gz DXUUSIFOHPXRRM-NWDGAFQWSA-N 2 2 296.415 -0.217 20 0 CBADLP CO[C@@H](C[NH3+])C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000353432334 220077870 /nfs/dbraw/zinc/07/78/70/220077870.db2.gz SDAFUYJCRJLIJM-JTQLQIEISA-N 2 2 259.350 -0.813 20 0 CBADLP CO[C@@H](C[NH3+])C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000353432334 220077873 /nfs/dbraw/zinc/07/78/73/220077873.db2.gz SDAFUYJCRJLIJM-JTQLQIEISA-N 2 2 259.350 -0.813 20 0 CBADLP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCC[NH+]1CCN(C(C)=O)CC1 ZINC000353447744 220089290 /nfs/dbraw/zinc/08/92/90/220089290.db2.gz LMBSSKLEVJHMEL-UONOGXRCSA-N 2 2 296.415 -0.345 20 0 CBADLP COC(=O)[C@H]1[C@H](O)CCC[N@@H+]1CCn1cc[nH+]c1 ZINC000189585273 372851645 /nfs/dbraw/zinc/85/16/45/372851645.db2.gz HDAYCYHXVSENAQ-GHMZBOCLSA-N 2 2 253.302 -0.119 20 0 CBADLP COC(=O)[C@H]1[C@H](O)CCC[N@H+]1CCn1cc[nH+]c1 ZINC000189585273 372851655 /nfs/dbraw/zinc/85/16/55/372851655.db2.gz HDAYCYHXVSENAQ-GHMZBOCLSA-N 2 2 253.302 -0.119 20 0 CBADLP C[C@H](CNC[C@H](O)C[NH+]1CCOCC1)[N@H+](C)C1CC1 ZINC000218989510 372870159 /nfs/dbraw/zinc/87/01/59/372870159.db2.gz BAIFPOBWBAWDSM-OCCSQVGLSA-N 2 2 271.405 -0.248 20 0 CBADLP C[C@H](CNC[C@H](O)C[NH+]1CCOCC1)[N@@H+](C)C1CC1 ZINC000218989510 372870162 /nfs/dbraw/zinc/87/01/62/372870162.db2.gz BAIFPOBWBAWDSM-OCCSQVGLSA-N 2 2 271.405 -0.248 20 0 CBADLP O[C@H](CN[C@@H]1CC[N@@H+]2CCCC[C@@H]12)C[NH+]1CCOCC1 ZINC000219240382 372870233 /nfs/dbraw/zinc/87/02/33/372870233.db2.gz DLBGKIKGDIVDDM-KFWWJZLASA-N 2 2 283.416 -0.104 20 0 CBADLP O[C@H](CN[C@@H]1CC[N@H+]2CCCC[C@@H]12)C[NH+]1CCOCC1 ZINC000219240382 372870240 /nfs/dbraw/zinc/87/02/40/372870240.db2.gz DLBGKIKGDIVDDM-KFWWJZLASA-N 2 2 283.416 -0.104 20 0 CBADLP O[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)CN1CCOCC1 ZINC000219240382 372870244 /nfs/dbraw/zinc/87/02/44/372870244.db2.gz DLBGKIKGDIVDDM-KFWWJZLASA-N 2 2 283.416 -0.104 20 0 CBADLP O[C@H](C[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)CN1CCOCC1 ZINC000219240382 372870249 /nfs/dbraw/zinc/87/02/49/372870249.db2.gz DLBGKIKGDIVDDM-KFWWJZLASA-N 2 2 283.416 -0.104 20 0 CBADLP CN1CC[C@H]([N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)C1=O ZINC000246692236 372885391 /nfs/dbraw/zinc/88/53/91/372885391.db2.gz KGSWDWSLINURRB-STQMWFEESA-N 2 2 267.373 -0.129 20 0 CBADLP CN1CC[C@H]([N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)C1=O ZINC000246692236 372885397 /nfs/dbraw/zinc/88/53/97/372885397.db2.gz KGSWDWSLINURRB-STQMWFEESA-N 2 2 267.373 -0.129 20 0 CBADLP O=C(NC[C@H]1C[NH2+]CCO1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000333321669 205216741 /nfs/dbraw/zinc/21/67/41/205216741.db2.gz UPTPACNWNUMRAA-KGLIPLIRSA-N 2 2 297.399 -0.266 20 0 CBADLP O=C(NC[C@H]1C[NH2+]CCO1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000333321669 205216743 /nfs/dbraw/zinc/21/67/43/205216743.db2.gz UPTPACNWNUMRAA-KGLIPLIRSA-N 2 2 297.399 -0.266 20 0 CBADLP CC(C)[C@@H](C(=O)NCCC[N@@H+]1CCNC(=O)C1)[NH+](C)C ZINC000344718081 217288003 /nfs/dbraw/zinc/28/80/03/217288003.db2.gz WNQIIDOSDKRCGM-ZDUSSCGKSA-N 2 2 284.404 -0.489 20 0 CBADLP CC(C)[C@@H](C(=O)NCCC[N@H+]1CCNC(=O)C1)[NH+](C)C ZINC000344718081 217288005 /nfs/dbraw/zinc/28/80/05/217288005.db2.gz WNQIIDOSDKRCGM-ZDUSSCGKSA-N 2 2 284.404 -0.489 20 0 CBADLP CC(C)(CNC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)[NH+]1CCOCC1 ZINC000333375528 205267948 /nfs/dbraw/zinc/26/79/48/205267948.db2.gz MZMTVNLSPYOIJQ-BETUJISGSA-N 2 2 296.415 -0.042 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)C2CC(O)C2)CC1 ZINC000353510422 220126231 /nfs/dbraw/zinc/12/62/31/220126231.db2.gz JFQHJWDYDDSSSM-PNESKVBLSA-N 2 2 269.389 -0.006 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)C2CC(O)C2)CC1 ZINC000353510422 220126233 /nfs/dbraw/zinc/12/62/33/220126233.db2.gz JFQHJWDYDDSSSM-PNESKVBLSA-N 2 2 269.389 -0.006 20 0 CBADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000333126052 373008333 /nfs/dbraw/zinc/00/83/33/373008333.db2.gz IYRBGHWRAHBZQA-WOPDTQHZSA-N 2 2 255.362 -0.051 20 0 CBADLP CC(C)C[C@@H]([NH3+])C[N@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000333126052 373008344 /nfs/dbraw/zinc/00/83/44/373008344.db2.gz IYRBGHWRAHBZQA-WOPDTQHZSA-N 2 2 255.362 -0.051 20 0 CBADLP CC[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2C[C@H](OC)C[N@@H+]2C)CC1 ZINC000330532455 372984290 /nfs/dbraw/zinc/98/42/90/372984290.db2.gz HKNYKCJDUHHQFN-IHRRRGAJSA-N 2 2 299.415 -0.379 20 0 CBADLP CC[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2C[C@H](OC)C[N@H+]2C)CC1 ZINC000330532455 372984299 /nfs/dbraw/zinc/98/42/99/372984299.db2.gz HKNYKCJDUHHQFN-IHRRRGAJSA-N 2 2 299.415 -0.379 20 0 CBADLP C[N@@H+]1CCC[C@H]1CNC(=O)NCC[NH+]1CCOCC1 ZINC000338805169 373032602 /nfs/dbraw/zinc/03/26/02/373032602.db2.gz IQDRGSJALNDWSO-LBPRGKRZSA-N 2 2 270.377 -0.288 20 0 CBADLP C[N@H+]1CCC[C@H]1CNC(=O)NCC[NH+]1CCOCC1 ZINC000338805169 373032609 /nfs/dbraw/zinc/03/26/09/373032609.db2.gz IQDRGSJALNDWSO-LBPRGKRZSA-N 2 2 270.377 -0.288 20 0 CBADLP CNC(=O)C[C@H](C)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000341906112 373044364 /nfs/dbraw/zinc/04/43/64/373044364.db2.gz WSWWQVWUTBMIEA-WDEREUQCSA-N 2 2 270.377 -0.560 20 0 CBADLP CNC(=O)C[C@H](C)[NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000341906112 373044373 /nfs/dbraw/zinc/04/43/73/373044373.db2.gz WSWWQVWUTBMIEA-WDEREUQCSA-N 2 2 270.377 -0.560 20 0 CBADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000342256117 373046430 /nfs/dbraw/zinc/04/64/30/373046430.db2.gz DNJYFODGWQPODY-RDBSUJKOSA-N 2 2 297.399 -0.361 20 0 CBADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000342256117 373046436 /nfs/dbraw/zinc/04/64/36/373046436.db2.gz DNJYFODGWQPODY-RDBSUJKOSA-N 2 2 297.399 -0.361 20 0 CBADLP CO[C@H](C[NH3+])C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000353476785 373113651 /nfs/dbraw/zinc/11/36/51/373113651.db2.gz ZGHJQYKAVCBRKQ-GARJFASQSA-N 2 2 259.350 -0.815 20 0 CBADLP COC(=O)CNC(=O)C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000355339086 373129729 /nfs/dbraw/zinc/12/97/29/373129729.db2.gz HVCSFYQBQRWESP-ZDUSSCGKSA-N 2 2 297.399 -0.061 20 0 CBADLP COC(=O)CNC(=O)C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000355339086 373129738 /nfs/dbraw/zinc/12/97/38/373129738.db2.gz HVCSFYQBQRWESP-ZDUSSCGKSA-N 2 2 297.399 -0.061 20 0 CBADLP COC(=O)CNC(=O)C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000355339086 373129747 /nfs/dbraw/zinc/12/97/47/373129747.db2.gz HVCSFYQBQRWESP-ZDUSSCGKSA-N 2 2 297.399 -0.061 20 0 CBADLP COC(=O)CNC(=O)C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000355339086 373129759 /nfs/dbraw/zinc/12/97/59/373129759.db2.gz HVCSFYQBQRWESP-ZDUSSCGKSA-N 2 2 297.399 -0.061 20 0 CBADLP C[NH+](C)Cc1cc(C(=O)N2CC[NH+](CCO)CC2)no1 ZINC000355695329 373148759 /nfs/dbraw/zinc/14/87/59/373148759.db2.gz ISXXLYKKPPPTPR-UHFFFAOYSA-N 2 2 282.344 -0.514 20 0 CBADLP CCOCCNC(=O)C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360543026 373207987 /nfs/dbraw/zinc/20/79/87/373207987.db2.gz FWIPVGGSIJQYBI-ZDUSSCGKSA-N 2 2 255.362 -0.176 20 0 CBADLP CCOCCNC(=O)C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360543026 373207997 /nfs/dbraw/zinc/20/79/97/373207997.db2.gz FWIPVGGSIJQYBI-ZDUSSCGKSA-N 2 2 255.362 -0.176 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C1CC[NH2+]CC1 ZINC000353581263 220172424 /nfs/dbraw/zinc/17/24/24/220172424.db2.gz WMMYXFHREYBVOS-NSHDSACASA-N 2 2 255.362 -0.177 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)C1CC[NH2+]CC1 ZINC000353581263 220172427 /nfs/dbraw/zinc/17/24/27/220172427.db2.gz WMMYXFHREYBVOS-NSHDSACASA-N 2 2 255.362 -0.177 20 0 CBADLP COCCOCC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000360897760 373244028 /nfs/dbraw/zinc/24/40/28/373244028.db2.gz ONAXALDSXZZRNE-UHFFFAOYSA-N 2 2 287.404 -0.208 20 0 CBADLP C[N@H+](CCCO)C1CC[NH+]([C@H]2COC[C@H]2O)CC1 ZINC000361313720 373278505 /nfs/dbraw/zinc/27/85/05/373278505.db2.gz NYSFGLOLUDENSL-QWHCGFSZSA-N 2 2 258.362 -0.475 20 0 CBADLP C[N@@H+](CCCO)C1CC[NH+]([C@H]2COC[C@H]2O)CC1 ZINC000361313720 373278510 /nfs/dbraw/zinc/27/85/10/373278510.db2.gz NYSFGLOLUDENSL-QWHCGFSZSA-N 2 2 258.362 -0.475 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC(F)(F)[C@H](CO)C2)CC1 ZINC000361402020 373290994 /nfs/dbraw/zinc/29/09/94/373290994.db2.gz FPKKOYVVADTASX-NSHDSACASA-N 2 2 291.342 -0.290 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC(F)(F)[C@H](CO)C2)CC1 ZINC000361402020 373291002 /nfs/dbraw/zinc/29/10/02/373291002.db2.gz FPKKOYVVADTASX-NSHDSACASA-N 2 2 291.342 -0.290 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)c1ccnc(C[NH3+])c1 ZINC000361627391 373319717 /nfs/dbraw/zinc/31/97/17/373319717.db2.gz NBRVJVRUGNINSJ-NSHDSACASA-N 2 2 278.356 -0.009 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)c1ccnc(C[NH3+])c1 ZINC000361627391 373319727 /nfs/dbraw/zinc/31/97/27/373319727.db2.gz NBRVJVRUGNINSJ-NSHDSACASA-N 2 2 278.356 -0.009 20 0 CBADLP O=C(NCC1([NH+]2CCOCC2)CCCC1)[C@@H]1C[NH2+]CCO1 ZINC000361718362 373330288 /nfs/dbraw/zinc/33/02/88/373330288.db2.gz NFWNEDWHUAZGMJ-ZDUSSCGKSA-N 2 2 297.399 -0.264 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000362564806 373423788 /nfs/dbraw/zinc/42/37/88/373423788.db2.gz OEFKUDSTDKNCQQ-OCCSQVGLSA-N 2 2 296.415 -0.536 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000362564806 373423794 /nfs/dbraw/zinc/42/37/94/373423794.db2.gz OEFKUDSTDKNCQQ-OCCSQVGLSA-N 2 2 296.415 -0.536 20 0 CBADLP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C[NH3+])C2)C[C@@H](C)O1 ZINC000050247866 220194965 /nfs/dbraw/zinc/19/49/65/220194965.db2.gz VDYNVBNAPRTBOW-IJLUTSLNSA-N 2 2 255.362 -0.097 20 0 CBADLP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C[NH3+])C2)C[C@@H](C)O1 ZINC000050247866 220194967 /nfs/dbraw/zinc/19/49/67/220194967.db2.gz VDYNVBNAPRTBOW-IJLUTSLNSA-N 2 2 255.362 -0.097 20 0 CBADLP Cn1nccc1C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362697888 373439515 /nfs/dbraw/zinc/43/95/15/373439515.db2.gz MCVUPQIRAMBVQF-CYBMUJFWSA-N 2 2 277.372 -0.184 20 0 CBADLP Cn1nccc1C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362697888 373439521 /nfs/dbraw/zinc/43/95/21/373439521.db2.gz MCVUPQIRAMBVQF-CYBMUJFWSA-N 2 2 277.372 -0.184 20 0 CBADLP C[C@H]([NH3+])C(=O)N1CCC[N@H+](CC(=O)NC(C)(C)C)CC1 ZINC000363153510 373480832 /nfs/dbraw/zinc/48/08/32/373480832.db2.gz RXVLMCVFMQERLF-NSHDSACASA-N 2 2 284.404 -0.217 20 0 CBADLP C[C@H]([NH3+])C(=O)N1CCC[N@@H+](CC(=O)NC(C)(C)C)CC1 ZINC000363153510 373480839 /nfs/dbraw/zinc/48/08/39/373480839.db2.gz RXVLMCVFMQERLF-NSHDSACASA-N 2 2 284.404 -0.217 20 0 CBADLP C[C@@H](C(=O)NC1CC1)[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362836213 373452217 /nfs/dbraw/zinc/45/22/17/373452217.db2.gz FCKBXANFSYSAII-AAEUAGOBSA-N 2 2 294.399 -0.450 20 0 CBADLP C[C@@H](C(=O)NC1CC1)[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362836213 373452221 /nfs/dbraw/zinc/45/22/21/373452221.db2.gz FCKBXANFSYSAII-AAEUAGOBSA-N 2 2 294.399 -0.450 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1C[C@H]2OCC[NH+](C)[C@@H]2C1 ZINC000362883396 373458665 /nfs/dbraw/zinc/45/86/65/373458665.db2.gz QZLZFOMUPXAISL-YVECIDJPSA-N 2 2 267.373 -0.275 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1C[C@H]2OCC[NH+](C)[C@@H]2C1 ZINC000362883396 373458674 /nfs/dbraw/zinc/45/86/74/373458674.db2.gz QZLZFOMUPXAISL-YVECIDJPSA-N 2 2 267.373 -0.275 20 0 CBADLP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000362883396 373458679 /nfs/dbraw/zinc/45/86/79/373458679.db2.gz QZLZFOMUPXAISL-YVECIDJPSA-N 2 2 267.373 -0.275 20 0 CBADLP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000362883396 373458684 /nfs/dbraw/zinc/45/86/84/373458684.db2.gz QZLZFOMUPXAISL-YVECIDJPSA-N 2 2 267.373 -0.275 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000362947874 373466576 /nfs/dbraw/zinc/46/65/76/373466576.db2.gz DLUDQRNPNGFJLM-MCIONIFRSA-N 2 2 299.415 -0.664 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000362947874 373466580 /nfs/dbraw/zinc/46/65/80/373466580.db2.gz DLUDQRNPNGFJLM-MCIONIFRSA-N 2 2 299.415 -0.664 20 0 CBADLP C[NH+](C)CC(=O)N1CCC[C@H]1C(=O)N1CC[NH+](C)CC1 ZINC000362981176 373470056 /nfs/dbraw/zinc/47/00/56/373470056.db2.gz YZRKVJRRJMRAQN-LBPRGKRZSA-N 2 2 282.388 -0.687 20 0 CBADLP COC(=O)CNC(=O)C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000363631151 373501142 /nfs/dbraw/zinc/50/11/42/373501142.db2.gz HBPJGDAZQYYGRV-UPJWGTAASA-N 2 2 295.383 -0.308 20 0 CBADLP COC(=O)CNC(=O)C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000363631151 373501150 /nfs/dbraw/zinc/50/11/50/373501150.db2.gz HBPJGDAZQYYGRV-UPJWGTAASA-N 2 2 295.383 -0.308 20 0 CBADLP COC(=O)CNC(=O)C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363631151 373501154 /nfs/dbraw/zinc/50/11/54/373501154.db2.gz HBPJGDAZQYYGRV-UPJWGTAASA-N 2 2 295.383 -0.308 20 0 CBADLP COC(=O)CNC(=O)C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363631151 373501156 /nfs/dbraw/zinc/50/11/56/373501156.db2.gz HBPJGDAZQYYGRV-UPJWGTAASA-N 2 2 295.383 -0.308 20 0 CBADLP Cc1cccn2cc(CNC(=O)[C@H]([NH3+])CC(N)=O)[nH+]c12 ZINC000353625491 220203436 /nfs/dbraw/zinc/20/34/36/220203436.db2.gz AJFYDWRHNFOOQH-SNVBAGLBSA-N 2 2 275.312 -0.538 20 0 CBADLP COC(=O)[C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)C[NH2+]1 ZINC000365679479 373525985 /nfs/dbraw/zinc/52/59/85/373525985.db2.gz QYTSCZUSYIVAAS-CHWFTXMASA-N 2 2 269.345 -0.476 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1 ZINC000363301859 373484839 /nfs/dbraw/zinc/48/48/39/373484839.db2.gz DASJGABMQGGURJ-MCIONIFRSA-N 2 2 297.399 -0.625 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1 ZINC000363301859 373484843 /nfs/dbraw/zinc/48/48/43/373484843.db2.gz DASJGABMQGGURJ-MCIONIFRSA-N 2 2 297.399 -0.625 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH+]2CCOC(C)(C)C2)C1 ZINC000363303347 373485786 /nfs/dbraw/zinc/48/57/86/373485786.db2.gz QANNVQBYDBIAQL-CYBMUJFWSA-N 2 2 299.415 -0.066 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH+]2CCOC(C)(C)C2)C1 ZINC000363303347 373485791 /nfs/dbraw/zinc/48/57/91/373485791.db2.gz QANNVQBYDBIAQL-CYBMUJFWSA-N 2 2 299.415 -0.066 20 0 CBADLP CC[NH+]1CCO[C@@H](C(=O)NCC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000363303347 373485800 /nfs/dbraw/zinc/48/58/00/373485800.db2.gz QANNVQBYDBIAQL-CYBMUJFWSA-N 2 2 299.415 -0.066 20 0 CBADLP CC[NH+]1CCO[C@@H](C(=O)NCC[N@H+]2CCOC(C)(C)C2)C1 ZINC000363303347 373485806 /nfs/dbraw/zinc/48/58/06/373485806.db2.gz QANNVQBYDBIAQL-CYBMUJFWSA-N 2 2 299.415 -0.066 20 0 CBADLP COC(=O)[C@H]1C[C@H](NC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)C[NH2+]1 ZINC000367649150 373538028 /nfs/dbraw/zinc/53/80/28/373538028.db2.gz PTEBPFQMNUNEIW-UUIJZJDISA-N 2 2 295.383 -0.214 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+]([C@H]3CCSC3)CC2)C1 ZINC000370361908 373549761 /nfs/dbraw/zinc/54/97/61/373549761.db2.gz NQDOZIHSYXFZNE-QWHCGFSZSA-N 2 2 299.440 -0.033 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N2CC[NH+]([C@H]3CCSC3)CC2)C1 ZINC000370361908 373549766 /nfs/dbraw/zinc/54/97/66/373549766.db2.gz NQDOZIHSYXFZNE-QWHCGFSZSA-N 2 2 299.440 -0.033 20 0 CBADLP CC(C)([NH3+])CNC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000418217674 373630954 /nfs/dbraw/zinc/63/09/54/373630954.db2.gz PSASYJAGIDPOFQ-NSHDSACASA-N 2 2 270.377 -0.114 20 0 CBADLP CC(C)([NH3+])CNC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000418217674 373630961 /nfs/dbraw/zinc/63/09/61/373630961.db2.gz PSASYJAGIDPOFQ-NSHDSACASA-N 2 2 270.377 -0.114 20 0 CBADLP Cc1cccc2[nH+]c(CNC(=O)[C@@H]([NH3+])CC(N)=O)cn21 ZINC000353646537 220221321 /nfs/dbraw/zinc/22/13/21/220221321.db2.gz YPSODWJOVKKQRF-JTQLQIEISA-N 2 2 275.312 -0.538 20 0 CBADLP C[C@H]([NH3+])C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000353644544 220218854 /nfs/dbraw/zinc/21/88/54/220218854.db2.gz RAHBEDSBYHOYPN-JTQLQIEISA-N 2 2 267.333 -0.499 20 0 CBADLP C[N@@H+]1CCO[C@@H](CNC(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493464107 373714503 /nfs/dbraw/zinc/71/45/03/373714503.db2.gz LCZSFGJBAZMOQF-PBKGFPTLSA-N 2 2 250.302 -0.130 20 0 CBADLP C[N@H+]1CCO[C@@H](CNC(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493464107 373714512 /nfs/dbraw/zinc/71/45/12/373714512.db2.gz LCZSFGJBAZMOQF-PBKGFPTLSA-N 2 2 250.302 -0.130 20 0 CBADLP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000423678383 373660010 /nfs/dbraw/zinc/66/00/10/373660010.db2.gz KZCOOSWEBUEBQC-NEPJUHHUSA-N 2 2 282.388 -0.511 20 0 CBADLP C[N@H+](CC(=O)NCC(=O)N1CCCC1)[C@@H]1CCC[NH2+]CC1 ZINC000435623563 373677357 /nfs/dbraw/zinc/67/73/57/373677357.db2.gz HKVZSGCVRTUVBW-CYBMUJFWSA-N 2 2 296.415 -0.201 20 0 CBADLP C[N@@H+](CC(=O)NCC(=O)N1CCCC1)[C@@H]1CCC[NH2+]CC1 ZINC000435623563 373677368 /nfs/dbraw/zinc/67/73/68/373677368.db2.gz HKVZSGCVRTUVBW-CYBMUJFWSA-N 2 2 296.415 -0.201 20 0 CBADLP Cc1nc(N2CC[NH+](C[C@@H](C)O)CC2)nc(N(C)C)[nH+]1 ZINC000436431832 373677517 /nfs/dbraw/zinc/67/75/17/373677517.db2.gz JXIYGFIJSHPJEY-SNVBAGLBSA-N 2 2 280.376 -0.251 20 0 CBADLP C[C@H]([NH3+])CN1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000442653916 373681636 /nfs/dbraw/zinc/68/16/36/373681636.db2.gz AOTYOMVCODHQEZ-QWRGUYRKSA-N 2 2 254.378 -0.382 20 0 CBADLP CC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC000514930493 373770582 /nfs/dbraw/zinc/77/05/82/373770582.db2.gz LPKNHUBXTQRENJ-LBPRGKRZSA-N 2 2 294.399 -0.497 20 0 CBADLP CC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC000514930493 373770590 /nfs/dbraw/zinc/77/05/90/373770590.db2.gz LPKNHUBXTQRENJ-LBPRGKRZSA-N 2 2 294.399 -0.497 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@H](C)[C@H](C)[NH3+])CC1 ZINC000493897164 373735694 /nfs/dbraw/zinc/73/56/94/373735694.db2.gz LZRCJVIRBFZQLW-MNOVXSKESA-N 2 2 270.377 -0.750 20 0 CBADLP C[NH+](C)Cc1cc(CNC(=O)[C@@H]([NH3+])CC(N)=O)ccc1F ZINC000353666272 220237726 /nfs/dbraw/zinc/23/77/26/220237726.db2.gz ZIGFOXCEYORVQF-LBPRGKRZSA-N 2 2 296.346 -0.294 20 0 CBADLP COC(=O)CCNC(=O)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000515069386 373776338 /nfs/dbraw/zinc/77/63/38/373776338.db2.gz WOBUVZSGJOZOBL-NSHDSACASA-N 2 2 294.355 -0.111 20 0 CBADLP COC(=O)CCNC(=O)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000515069386 373776348 /nfs/dbraw/zinc/77/63/48/373776348.db2.gz WOBUVZSGJOZOBL-NSHDSACASA-N 2 2 294.355 -0.111 20 0 CBADLP COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000514789212 373765893 /nfs/dbraw/zinc/76/58/93/373765893.db2.gz DHEKBLVFZZGXTE-JHJVBQTASA-N 2 2 297.399 -0.157 20 0 CBADLP COC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000514789212 373765902 /nfs/dbraw/zinc/76/59/02/373765902.db2.gz DHEKBLVFZZGXTE-JHJVBQTASA-N 2 2 297.399 -0.157 20 0 CBADLP C[N@@H+]1CCN(C(=O)COc2ccc(O)cc2)[C@@H](C[NH3+])C1 ZINC000514857197 373767359 /nfs/dbraw/zinc/76/73/59/373767359.db2.gz DCNKMFPZNAZFTF-NSHDSACASA-N 2 2 279.340 -0.128 20 0 CBADLP C[N@H+]1CCN(C(=O)COc2ccc(O)cc2)[C@@H](C[NH3+])C1 ZINC000514857197 373767367 /nfs/dbraw/zinc/76/73/67/373767367.db2.gz DCNKMFPZNAZFTF-NSHDSACASA-N 2 2 279.340 -0.128 20 0 CBADLP CC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC000514930491 373769271 /nfs/dbraw/zinc/76/92/71/373769271.db2.gz LPKNHUBXTQRENJ-GFCCVEGCSA-N 2 2 294.399 -0.497 20 0 CBADLP CC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC000514930491 373769278 /nfs/dbraw/zinc/76/92/78/373769278.db2.gz LPKNHUBXTQRENJ-GFCCVEGCSA-N 2 2 294.399 -0.497 20 0 CBADLP COC(=O)c1cn([C@@H]2CC[N@H+](C[C@H](C)[NH3+])C2)nn1 ZINC000516292971 373809175 /nfs/dbraw/zinc/80/91/75/373809175.db2.gz QDQQJJLZKHTBIF-DTWKUNHWSA-N 2 2 253.306 -0.341 20 0 CBADLP COC(=O)c1cn([C@@H]2CC[N@@H+](C[C@H](C)[NH3+])C2)nn1 ZINC000516292971 373809180 /nfs/dbraw/zinc/80/91/80/373809180.db2.gz QDQQJJLZKHTBIF-DTWKUNHWSA-N 2 2 253.306 -0.341 20 0 CBADLP C[C@@H]1C[N@@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C[C@H]1[NH3+] ZINC000516650515 373817706 /nfs/dbraw/zinc/81/77/06/373817706.db2.gz ORGDCSPGAOGKFN-IJLUTSLNSA-N 3 2 254.378 -0.537 20 0 CBADLP COc1c(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c(C)nn1C ZINC000520839488 373835338 /nfs/dbraw/zinc/83/53/38/373835338.db2.gz GUSZHVMCRTUWAS-PWSUYJOCSA-N 2 2 293.371 -0.519 20 0 CBADLP COc1c(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c(C)nn1C ZINC000520839488 373835343 /nfs/dbraw/zinc/83/53/43/373835343.db2.gz GUSZHVMCRTUWAS-PWSUYJOCSA-N 2 2 293.371 -0.519 20 0 CBADLP C[C@H](NC(=O)C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C)C(=O)N(C)C ZINC000515308269 373781614 /nfs/dbraw/zinc/78/16/14/373781614.db2.gz IMAFJWPKNYOLFH-DCAQKATOSA-N 2 2 270.377 -0.609 20 0 CBADLP C[C@H](NC(=O)C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C)C(=O)N(C)C ZINC000515308269 373781623 /nfs/dbraw/zinc/78/16/23/373781623.db2.gz IMAFJWPKNYOLFH-DCAQKATOSA-N 2 2 270.377 -0.609 20 0 CBADLP C[C@@H]1CNCC[N@@H+]1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000515845428 373798358 /nfs/dbraw/zinc/79/83/58/373798358.db2.gz GEHYDSYKLKVFDC-NEPJUHHUSA-N 2 2 254.378 -0.523 20 0 CBADLP C[N@@H+]1CCN(C(=O)Cc2cccc(N)c2)[C@H](C[NH3+])C1 ZINC000521620893 373845897 /nfs/dbraw/zinc/84/58/97/373845897.db2.gz UFDSWSCVSXMDQI-CYBMUJFWSA-N 2 2 262.357 -0.087 20 0 CBADLP C[N@H+]1CCN(C(=O)Cc2cccc(N)c2)[C@H](C[NH3+])C1 ZINC000521620893 373845906 /nfs/dbraw/zinc/84/59/06/373845906.db2.gz UFDSWSCVSXMDQI-CYBMUJFWSA-N 2 2 262.357 -0.087 20 0 CBADLP C[N@@H+]1CCN(C(=O)NC[C@@]2(C)CCC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000521986469 373853098 /nfs/dbraw/zinc/85/30/98/373853098.db2.gz HFWGIHKHBYPKQO-OCCSQVGLSA-N 3 2 283.420 -0.340 20 0 CBADLP C[N@H+]1CCN(C(=O)NC[C@@]2(C)CCC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000521986469 373853105 /nfs/dbraw/zinc/85/31/05/373853105.db2.gz HFWGIHKHBYPKQO-OCCSQVGLSA-N 3 2 283.420 -0.340 20 0 CBADLP CC[N@H+](CCNC[C@H](O)C[NH+]1CCOCC1)C(C)C ZINC000521995745 373855103 /nfs/dbraw/zinc/85/51/03/373855103.db2.gz QOZLKJAOJUTTHV-AWEZNQCLSA-N 2 2 273.421 -0.001 20 0 CBADLP CC[N@@H+](CCNC[C@H](O)C[NH+]1CCOCC1)C(C)C ZINC000521995745 373855107 /nfs/dbraw/zinc/85/51/07/373855107.db2.gz QOZLKJAOJUTTHV-AWEZNQCLSA-N 2 2 273.421 -0.001 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1C(=O)N(C)C ZINC000528681907 373975107 /nfs/dbraw/zinc/97/51/07/373975107.db2.gz GOZQNRKIYNNALP-RYUDHWBXSA-N 2 2 257.378 -0.148 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1C(=O)N(C)C ZINC000528681907 373975110 /nfs/dbraw/zinc/97/51/10/373975110.db2.gz GOZQNRKIYNNALP-RYUDHWBXSA-N 2 2 257.378 -0.148 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000528681907 373975115 /nfs/dbraw/zinc/97/51/15/373975115.db2.gz GOZQNRKIYNNALP-RYUDHWBXSA-N 2 2 257.378 -0.148 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000528681907 373975118 /nfs/dbraw/zinc/97/51/18/373975118.db2.gz GOZQNRKIYNNALP-RYUDHWBXSA-N 2 2 257.378 -0.148 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)CC1 ZINC000528779035 373982342 /nfs/dbraw/zinc/98/23/42/373982342.db2.gz BBHPFTZPXRDPCT-UVARLRKDSA-N 2 2 299.440 -0.254 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)CC1 ZINC000528779035 373982345 /nfs/dbraw/zinc/98/23/45/373982345.db2.gz BBHPFTZPXRDPCT-UVARLRKDSA-N 2 2 299.440 -0.254 20 0 CBADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCNS(C)(=O)=O)C1 ZINC000530516329 374084946 /nfs/dbraw/zinc/08/49/46/374084946.db2.gz ZXVBFVLTUJKUBK-SNVBAGLBSA-N 2 2 272.374 -0.241 20 0 CBADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCNS(C)(=O)=O)C1 ZINC000530516329 374084950 /nfs/dbraw/zinc/08/49/50/374084950.db2.gz ZXVBFVLTUJKUBK-SNVBAGLBSA-N 2 2 272.374 -0.241 20 0 CBADLP OCC1(C[NH+]2CCN(Cc3[nH]cc[nH+]3)CC2)COC1 ZINC000531548486 374139977 /nfs/dbraw/zinc/13/99/77/374139977.db2.gz MIAMQMRBSYGJGE-UHFFFAOYSA-N 2 2 266.345 -0.464 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)NCC[NH+]1CCC1 ZINC000533112541 374183396 /nfs/dbraw/zinc/18/33/96/374183396.db2.gz FKVOWFXJNGAGDB-LBPRGKRZSA-N 2 2 270.377 -0.288 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)NCC[NH+]1CCC1 ZINC000533112541 374183404 /nfs/dbraw/zinc/18/34/04/374183404.db2.gz FKVOWFXJNGAGDB-LBPRGKRZSA-N 2 2 270.377 -0.288 20 0 CBADLP Cn1c[nH+]cc1CCNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000548515441 374203046 /nfs/dbraw/zinc/20/30/46/374203046.db2.gz OOBZZKHAHSONLP-ZDUSSCGKSA-N 2 2 277.372 -0.531 20 0 CBADLP Cn1c[nH+]cc1CCNC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000548515441 374203055 /nfs/dbraw/zinc/20/30/55/374203055.db2.gz OOBZZKHAHSONLP-ZDUSSCGKSA-N 2 2 277.372 -0.531 20 0 CBADLP CC(=O)NCC[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000552214733 374263731 /nfs/dbraw/zinc/26/37/31/374263731.db2.gz GFEHCBJTNWLGJM-LOWVWBTDSA-N 2 2 273.377 -0.818 20 0 CBADLP CC(=O)NCC[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000552214733 374263738 /nfs/dbraw/zinc/26/37/38/374263738.db2.gz GFEHCBJTNWLGJM-LOWVWBTDSA-N 2 2 273.377 -0.818 20 0 CBADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[N@@H+]1CCO ZINC000561535654 374302298 /nfs/dbraw/zinc/30/22/98/374302298.db2.gz OCCKWFBNPYGPDB-LLVKDONJSA-N 2 2 266.345 -0.512 20 0 CBADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[N@H+]1CCO ZINC000561535654 374302306 /nfs/dbraw/zinc/30/23/06/374302306.db2.gz OCCKWFBNPYGPDB-LLVKDONJSA-N 2 2 266.345 -0.512 20 0 CBADLP C[C@@H]1C[N@H+](CCO)CCN1C(=O)Cn1cc[nH+]c1 ZINC000565107825 374329634 /nfs/dbraw/zinc/32/96/34/374329634.db2.gz PHBXZDDZJQEXRO-LLVKDONJSA-N 2 2 252.318 -0.592 20 0 CBADLP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)Cn1cc[nH+]c1 ZINC000565107825 374329639 /nfs/dbraw/zinc/32/96/39/374329639.db2.gz PHBXZDDZJQEXRO-LLVKDONJSA-N 2 2 252.318 -0.592 20 0 CBADLP C[C@@H](C(=O)NCC[C@H]1CC[NH2+]C1)[NH+]1CCN(C)CC1 ZINC000577850998 374340032 /nfs/dbraw/zinc/34/00/32/374340032.db2.gz WVIVUBKBPDUUMM-QWHCGFSZSA-N 2 2 268.405 -0.262 20 0 CBADLP CNS(=O)(=O)[C@H]1CC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000583753354 374364642 /nfs/dbraw/zinc/36/46/42/374364642.db2.gz XBTZSQYYXBVYNN-WDEREUQCSA-N 2 2 261.391 -0.391 20 0 CBADLP CNS(=O)(=O)[C@H]1CC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000583753354 374364649 /nfs/dbraw/zinc/36/46/49/374364649.db2.gz XBTZSQYYXBVYNN-WDEREUQCSA-N 2 2 261.391 -0.391 20 0 CBADLP CNS(=O)(=O)[C@@H]1CC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000583753351 374365497 /nfs/dbraw/zinc/36/54/97/374365497.db2.gz XBTZSQYYXBVYNN-GHMZBOCLSA-N 2 2 261.391 -0.391 20 0 CBADLP CNS(=O)(=O)[C@@H]1CC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000583753351 374365502 /nfs/dbraw/zinc/36/55/02/374365502.db2.gz XBTZSQYYXBVYNN-GHMZBOCLSA-N 2 2 261.391 -0.391 20 0 CBADLP COC(=O)CCNC(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000583813014 374369733 /nfs/dbraw/zinc/36/97/33/374369733.db2.gz JUZDWPJRPFHOJU-FOSCPWQOSA-N 2 2 283.372 -0.120 20 0 CBADLP COC(=O)CCNC(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000583813014 374369741 /nfs/dbraw/zinc/36/97/41/374369741.db2.gz JUZDWPJRPFHOJU-FOSCPWQOSA-N 2 2 283.372 -0.120 20 0 CBADLP C[NH+](C)C[C@H](O)C[NH2+]C[C@@H](O)COc1ccccc1 ZINC000578070165 374350777 /nfs/dbraw/zinc/35/07/77/374350777.db2.gz JYGBLBYBKAAFHM-CHWSQXEVSA-N 2 2 268.357 -0.062 20 0 CBADLP COC[C@@]1(C(N)=O)CCC[N@@H+]1CCn1cc[nH+]c1 ZINC000643823381 374447071 /nfs/dbraw/zinc/44/70/71/374447071.db2.gz QTJWYLRXPZXDTJ-GFCCVEGCSA-N 2 2 252.318 -0.151 20 0 CBADLP COC[C@@]1(C(N)=O)CCC[N@H+]1CCn1cc[nH+]c1 ZINC000643823381 374447081 /nfs/dbraw/zinc/44/70/81/374447081.db2.gz QTJWYLRXPZXDTJ-GFCCVEGCSA-N 2 2 252.318 -0.151 20 0 CBADLP O[C@@H]1CC[N@@H+]([C@H]2CCC[C@H]2[NH2+]CCn2cncn2)C1 ZINC000643960224 374462555 /nfs/dbraw/zinc/46/25/55/374462555.db2.gz PLJNZRNJGVFKFE-UPJWGTAASA-N 2 2 265.361 -0.145 20 0 CBADLP O[C@@H]1CC[N@H+]([C@H]2CCC[C@H]2[NH2+]CCn2cncn2)C1 ZINC000643960224 374462556 /nfs/dbraw/zinc/46/25/56/374462556.db2.gz PLJNZRNJGVFKFE-UPJWGTAASA-N 2 2 265.361 -0.145 20 0 CBADLP CN1CC[NH+](C[C@H](O)CNCC[N@H+](C)C2CC2)CC1 ZINC000644527970 374591012 /nfs/dbraw/zinc/59/10/12/374591012.db2.gz HSRDGOLTWMYQGC-CQSZACIVSA-N 2 2 270.421 -0.722 20 0 CBADLP CN1CC[NH+](C[C@H](O)CNCC[N@@H+](C)C2CC2)CC1 ZINC000644527970 374591016 /nfs/dbraw/zinc/59/10/16/374591016.db2.gz HSRDGOLTWMYQGC-CQSZACIVSA-N 2 2 270.421 -0.722 20 0 CBADLP COCCN1CC[C@H]([NH2+]C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000644554023 374592352 /nfs/dbraw/zinc/59/23/52/374592352.db2.gz FMYCYTITOFWGIG-JSGCOSHPSA-N 2 2 271.405 -0.248 20 0 CBADLP COCCN1CC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000644554023 374592359 /nfs/dbraw/zinc/59/23/59/374592359.db2.gz FMYCYTITOFWGIG-JSGCOSHPSA-N 2 2 271.405 -0.248 20 0 CBADLP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000644548886 374593278 /nfs/dbraw/zinc/59/32/78/374593278.db2.gz UHKGZQNYNMNYBY-ZFWWWQNUSA-N 3 2 284.448 -0.333 20 0 CBADLP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000644548886 374593284 /nfs/dbraw/zinc/59/32/84/374593284.db2.gz UHKGZQNYNMNYBY-ZFWWWQNUSA-N 3 2 284.448 -0.333 20 0 CBADLP O[C@@H](CN[C@@H]1CC[N@H+](CC2CC2)C1)C[NH+]1CCOCC1 ZINC000644556390 374594327 /nfs/dbraw/zinc/59/43/27/374594327.db2.gz DEWWGEJVMKDGLL-CABCVRRESA-N 2 2 283.416 -0.247 20 0 CBADLP O[C@@H](CN[C@@H]1CC[N@@H+](CC2CC2)C1)C[NH+]1CCOCC1 ZINC000644556390 374594335 /nfs/dbraw/zinc/59/43/35/374594335.db2.gz DEWWGEJVMKDGLL-CABCVRRESA-N 2 2 283.416 -0.247 20 0 CBADLP CN(C)c1[nH+]cc(C[NH2+]C[C@@H](O)CN2CCCC2=O)n1C ZINC000644562543 374594649 /nfs/dbraw/zinc/59/46/49/374594649.db2.gz YUQWQOGAILCGCU-GFCCVEGCSA-N 2 2 295.387 -0.441 20 0 CBADLP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H]2CCN(CC3CC3)C2)CC1 ZINC000644556623 374594723 /nfs/dbraw/zinc/59/47/23/374594723.db2.gz HQDWBSKLKPKULI-JKSUJKDBSA-N 2 2 296.459 -0.331 20 0 CBADLP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@@H]2CCN(CC3CC3)C2)CC1 ZINC000644556616 374595162 /nfs/dbraw/zinc/59/51/62/374595162.db2.gz HQDWBSKLKPKULI-CVEARBPZSA-N 2 2 296.459 -0.331 20 0 CBADLP CC[NH+](CC)[C@H](C)CNC[C@@H](O)C[NH+]1CCOCC1 ZINC000644563285 374595375 /nfs/dbraw/zinc/59/53/75/374595375.db2.gz AZMMYPZJQHZJHZ-ZIAGYGMSSA-N 2 2 273.421 -0.001 20 0 CBADLP C[N@H+](C[C@@H](O)C[NH2+][C@H]1CC(=O)N(C2CC2)C1)C1CC1 ZINC000644583497 374599753 /nfs/dbraw/zinc/59/97/53/374599753.db2.gz JYKLQDDITXNTDI-GWCFXTLKSA-N 2 2 267.373 -0.206 20 0 CBADLP C[N@@H+](C[C@@H](O)C[NH2+][C@H]1CC(=O)N(C2CC2)C1)C1CC1 ZINC000644583497 374599758 /nfs/dbraw/zinc/59/97/58/374599758.db2.gz JYKLQDDITXNTDI-GWCFXTLKSA-N 2 2 267.373 -0.206 20 0 CBADLP C[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)[C@@H]1CN(C)CCO1 ZINC000644602938 374600638 /nfs/dbraw/zinc/60/06/38/374600638.db2.gz VORCDGDEMMNRDJ-UBHSHLNASA-N 2 2 271.405 -0.250 20 0 CBADLP C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)[C@@H]1CN(C)CCO1 ZINC000644602938 374600647 /nfs/dbraw/zinc/60/06/47/374600647.db2.gz VORCDGDEMMNRDJ-UBHSHLNASA-N 2 2 271.405 -0.250 20 0 CBADLP C[C@H](NC[C@H](O)C[N@H+](C)C1CC1)[C@@H]1C[NH+](C)CCO1 ZINC000644602938 374600654 /nfs/dbraw/zinc/60/06/54/374600654.db2.gz VORCDGDEMMNRDJ-UBHSHLNASA-N 2 2 271.405 -0.250 20 0 CBADLP C[C@H](NC[C@H](O)C[N@@H+](C)C1CC1)[C@@H]1C[NH+](C)CCO1 ZINC000644602938 374600659 /nfs/dbraw/zinc/60/06/59/374600659.db2.gz VORCDGDEMMNRDJ-UBHSHLNASA-N 2 2 271.405 -0.250 20 0 CBADLP C[C@H](NC[C@H](O)C[NH+](C)C1CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000644602938 374600667 /nfs/dbraw/zinc/60/06/67/374600667.db2.gz VORCDGDEMMNRDJ-UBHSHLNASA-N 2 2 271.405 -0.250 20 0 CBADLP C[C@H](NC[C@H](O)C[NH+](C)C1CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000644602938 374600674 /nfs/dbraw/zinc/60/06/74/374600674.db2.gz VORCDGDEMMNRDJ-UBHSHLNASA-N 2 2 271.405 -0.250 20 0 CBADLP CCN1CC[C@H]([NH2+]C[C@H](O)C[N@H+](C)C2CC2)C1=O ZINC000644642680 374604362 /nfs/dbraw/zinc/60/43/62/374604362.db2.gz NBFMUWFOBOWIBO-RYUDHWBXSA-N 2 2 255.362 -0.348 20 0 CBADLP CCN1CC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)C1=O ZINC000644642680 374604366 /nfs/dbraw/zinc/60/43/66/374604366.db2.gz NBFMUWFOBOWIBO-RYUDHWBXSA-N 2 2 255.362 -0.348 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000645505459 374678253 /nfs/dbraw/zinc/67/82/53/374678253.db2.gz DTCDKKPQXNJLAC-QWRGUYRKSA-N 2 2 255.362 -0.179 20 0 CBADLP CO[C@@H](C[NH3+])CC(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000645944002 374715615 /nfs/dbraw/zinc/71/56/15/374715615.db2.gz CIWZXWZKBSNAQG-GFCCVEGCSA-N 2 2 295.387 -0.572 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C3(C)C[NH2+]C3)C2)CC1 ZINC000645977968 374720614 /nfs/dbraw/zinc/72/06/14/374720614.db2.gz PAHIZAJTMUCCSD-GFCCVEGCSA-N 3 2 280.416 -0.119 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C3(C)C[NH2+]C3)C2)CC1 ZINC000645977968 374720618 /nfs/dbraw/zinc/72/06/18/374720618.db2.gz PAHIZAJTMUCCSD-GFCCVEGCSA-N 3 2 280.416 -0.119 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000646652517 374801412 /nfs/dbraw/zinc/80/14/12/374801412.db2.gz QDOKNWMJKBUQME-GFCCVEGCSA-N 2 2 284.404 -0.299 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000646652517 374801418 /nfs/dbraw/zinc/80/14/18/374801418.db2.gz QDOKNWMJKBUQME-GFCCVEGCSA-N 2 2 284.404 -0.299 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NCC[NH2+]C1CC1 ZINC000646686029 374805387 /nfs/dbraw/zinc/80/53/87/374805387.db2.gz SILKYLRATKKSQL-UHFFFAOYSA-N 2 2 270.377 -0.689 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NCC[NH2+]C1CC1 ZINC000646686029 374805394 /nfs/dbraw/zinc/80/53/94/374805394.db2.gz SILKYLRATKKSQL-UHFFFAOYSA-N 2 2 270.377 -0.689 20 0 CBADLP C[NH2+]C1CCN(C(=O)C[N@H+](C)CC(=O)NC(C)C)CC1 ZINC000646734110 374807601 /nfs/dbraw/zinc/80/76/01/374807601.db2.gz ZVYDRQUAXRIIOX-UHFFFAOYSA-N 2 2 284.404 -0.347 20 0 CBADLP C[NH2+]C1CCN(C(=O)C[N@@H+](C)CC(=O)NC(C)C)CC1 ZINC000646734110 374807605 /nfs/dbraw/zinc/80/76/05/374807605.db2.gz ZVYDRQUAXRIIOX-UHFFFAOYSA-N 2 2 284.404 -0.347 20 0 CBADLP C[N@@H+]1CCN(C(=O)[C@@H]2C[C@@]23CC[NH2+]C3)[C@H](C[NH3+])C1 ZINC000646833253 374821902 /nfs/dbraw/zinc/82/19/02/374821902.db2.gz XSAHSPCFHDRGCZ-NTZNESFSSA-N 3 2 252.362 -0.913 20 0 CBADLP C[N@H+]1CCN(C(=O)[C@@H]2C[C@@]23CC[NH2+]C3)[C@H](C[NH3+])C1 ZINC000646833253 374821908 /nfs/dbraw/zinc/82/19/08/374821908.db2.gz XSAHSPCFHDRGCZ-NTZNESFSSA-N 3 2 252.362 -0.913 20 0 CBADLP C[N@@H+]1CCN(C(=O)[C@@H]2CCc3c[nH]nc3C2)[C@@H](C[NH3+])C1 ZINC000646832025 374821966 /nfs/dbraw/zinc/82/19/66/374821966.db2.gz ZDWDJWWGUCROPV-PWSUYJOCSA-N 2 2 277.372 -0.384 20 0 CBADLP C[N@H+]1CCN(C(=O)[C@@H]2CCc3c[nH]nc3C2)[C@@H](C[NH3+])C1 ZINC000646832025 374821970 /nfs/dbraw/zinc/82/19/70/374821970.db2.gz ZDWDJWWGUCROPV-PWSUYJOCSA-N 2 2 277.372 -0.384 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000646370776 374773973 /nfs/dbraw/zinc/77/39/73/374773973.db2.gz HRXNIYWJSGKPJW-QWHCGFSZSA-N 2 2 296.415 -0.347 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000646370776 374773979 /nfs/dbraw/zinc/77/39/79/374773979.db2.gz HRXNIYWJSGKPJW-QWHCGFSZSA-N 2 2 296.415 -0.347 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@H](C(C)C)[C@H](C)[NH3+])CC1 ZINC000646408886 374775571 /nfs/dbraw/zinc/77/55/71/374775571.db2.gz QSWPLDRMJVQTTH-GXTWGEPZSA-N 2 2 298.431 -0.114 20 0 CBADLP CCCC[N@H+](C)C[C@H](C)NC(=O)CN1CC[NH2+]CC1=O ZINC000646453906 374779825 /nfs/dbraw/zinc/77/98/25/374779825.db2.gz KJEJYEABQWQUJQ-LBPRGKRZSA-N 2 2 284.404 -0.345 20 0 CBADLP CCCC[N@@H+](C)C[C@H](C)NC(=O)CN1CC[NH2+]CC1=O ZINC000646453906 374779832 /nfs/dbraw/zinc/77/98/32/374779832.db2.gz KJEJYEABQWQUJQ-LBPRGKRZSA-N 2 2 284.404 -0.345 20 0 CBADLP C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000646473831 374781416 /nfs/dbraw/zinc/78/14/16/374781416.db2.gz VCMYNEKFPYEAMP-WOPDTQHZSA-N 2 2 255.362 -0.132 20 0 CBADLP C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000646473831 374781422 /nfs/dbraw/zinc/78/14/22/374781422.db2.gz VCMYNEKFPYEAMP-WOPDTQHZSA-N 2 2 255.362 -0.132 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000646569941 374788732 /nfs/dbraw/zinc/78/87/32/374788732.db2.gz YCVHMXJPTPOGPB-LLVKDONJSA-N 2 2 270.377 -0.608 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000646569941 374788739 /nfs/dbraw/zinc/78/87/39/374788739.db2.gz YCVHMXJPTPOGPB-LLVKDONJSA-N 2 2 270.377 -0.608 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000646611738 374793383 /nfs/dbraw/zinc/79/33/83/374793383.db2.gz VNJDRAOUZWOPPT-LLVKDONJSA-N 2 2 270.377 -0.689 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000646611738 374793387 /nfs/dbraw/zinc/79/33/87/374793387.db2.gz VNJDRAOUZWOPPT-LLVKDONJSA-N 2 2 270.377 -0.689 20 0 CBADLP [NH3+][C@@H]1CCC[C@H](CNC(=O)CN2CC[NH2+]CC2=O)C1 ZINC000647073641 374879052 /nfs/dbraw/zinc/87/90/52/374879052.db2.gz LLPUMRGFMMKHQB-WDEREUQCSA-N 2 2 268.361 -0.948 20 0 CBADLP [NH3+][C@H]1CCC[C@@H](CNC(=O)CN2CC[NH2+]CC2=O)C1 ZINC000647073639 374879750 /nfs/dbraw/zinc/87/97/50/374879750.db2.gz LLPUMRGFMMKHQB-MNOVXSKESA-N 2 2 268.361 -0.948 20 0 CBADLP O=C(NC[C@@H]1C[NH2+]CCO1)c1ccc(-n2cc[nH+]c2)nn1 ZINC000647086592 374883825 /nfs/dbraw/zinc/88/38/25/374883825.db2.gz IAHMXZMLTMQWFG-JTQLQIEISA-N 2 2 288.311 -0.620 20 0 CBADLP O=C(NC[C@H]1C[NH2+]CCO1)c1ccc(-n2cc[nH+]c2)nn1 ZINC000647086593 374884819 /nfs/dbraw/zinc/88/48/19/374884819.db2.gz IAHMXZMLTMQWFG-SNVBAGLBSA-N 2 2 288.311 -0.620 20 0 CBADLP C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC000646925950 374841685 /nfs/dbraw/zinc/84/16/85/374841685.db2.gz XILDOHMBXPJVHG-TUAOUCFPSA-N 2 2 253.346 -0.521 20 0 CBADLP C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC000646925950 374841688 /nfs/dbraw/zinc/84/16/88/374841688.db2.gz XILDOHMBXPJVHG-TUAOUCFPSA-N 2 2 253.346 -0.521 20 0 CBADLP C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC000646925950 374841692 /nfs/dbraw/zinc/84/16/92/374841692.db2.gz XILDOHMBXPJVHG-TUAOUCFPSA-N 2 2 253.346 -0.521 20 0 CBADLP C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC000646925950 374841695 /nfs/dbraw/zinc/84/16/95/374841695.db2.gz XILDOHMBXPJVHG-TUAOUCFPSA-N 2 2 253.346 -0.521 20 0 CBADLP C[NH2+][C@H](C(=O)N1CC[NH+](CCOC)CC1)c1cnn(C)c1 ZINC000262307654 190052750 /nfs/dbraw/zinc/05/27/50/190052750.db2.gz BLPBKSXLPSFBEG-ZDUSSCGKSA-N 2 2 295.387 -0.529 20 0 CBADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000262346739 190053673 /nfs/dbraw/zinc/05/36/73/190053673.db2.gz UEZOCQZUEBUYBT-KOLCDFICSA-N 2 2 281.360 -0.521 20 0 CBADLP O=C(NCc1ccn2cc[nH+]c2c1)[C@@H]1C[NH2+]CCO1 ZINC000262675665 190060607 /nfs/dbraw/zinc/06/06/07/190060607.db2.gz RWPNPRREODOFRL-NSHDSACASA-N 2 2 260.297 -0.061 20 0 CBADLP CC[C@H](CO)[NH+]1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC000355281136 248178883 /nfs/dbraw/zinc/17/88/83/248178883.db2.gz GGNYAJSZUQIXDJ-KGLIPLIRSA-N 2 2 299.415 -0.378 20 0 CBADLP CC[C@H](CO)[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC000355281136 248178890 /nfs/dbraw/zinc/17/88/90/248178890.db2.gz GGNYAJSZUQIXDJ-KGLIPLIRSA-N 2 2 299.415 -0.378 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](C[C@H](C)O)CC2)C1 ZINC000356462696 248253588 /nfs/dbraw/zinc/25/35/88/248253588.db2.gz PEBYISMLYQDPBI-STQMWFEESA-N 2 2 285.388 -0.768 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[NH+](C[C@H](C)O)CC2)C1 ZINC000356462696 248253593 /nfs/dbraw/zinc/25/35/93/248253593.db2.gz PEBYISMLYQDPBI-STQMWFEESA-N 2 2 285.388 -0.768 20 0 CBADLP C[C@@H]1[C@H](C)N(C[C@H](O)C[NH+]2CCOCC2)CC[N@H+]1C ZINC000356978252 248306271 /nfs/dbraw/zinc/30/62/71/248306271.db2.gz CTDUKJFGNACYDI-HZSPNIEDSA-N 2 2 271.405 -0.296 20 0 CBADLP C[C@@H]1[C@H](C)N(C[C@H](O)C[NH+]2CCOCC2)CC[N@@H+]1C ZINC000356978252 248306272 /nfs/dbraw/zinc/30/62/72/248306272.db2.gz CTDUKJFGNACYDI-HZSPNIEDSA-N 2 2 271.405 -0.296 20 0 CBADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(CCOCC[NH3+])CC1 ZINC000357076831 248319634 /nfs/dbraw/zinc/31/96/34/248319634.db2.gz PMXVFUYNACZNLH-CQSZACIVSA-N 2 2 298.431 -0.410 20 0 CBADLP O=C(C[C@H]1COCC[NH2+]1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000357221746 248333977 /nfs/dbraw/zinc/33/39/77/248333977.db2.gz CXZGEDZKUVUJQH-LBPRGKRZSA-N 2 2 293.371 -0.568 20 0 CBADLP CCN(C(=O)C[NH+](C)C)C1CN(C(=O)C[NH+](C)C)C1 ZINC000357212692 248334055 /nfs/dbraw/zinc/33/40/55/248334055.db2.gz YHBTVEUOOWDBCI-UHFFFAOYSA-N 2 2 270.377 -0.831 20 0 CBADLP CCOCCOC[C@H](O)C[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000357878089 248415345 /nfs/dbraw/zinc/41/53/45/248415345.db2.gz OFKACKMPDPEAOS-JHJVBQTASA-N 2 2 260.378 -0.060 20 0 CBADLP CCOCCOC[C@H](O)C[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000357878089 248415351 /nfs/dbraw/zinc/41/53/51/248415351.db2.gz OFKACKMPDPEAOS-JHJVBQTASA-N 2 2 260.378 -0.060 20 0 CBADLP CCN1CC[NH+](CCCNC(=O)C[C@@H]2COCC[NH2+]2)CC1 ZINC000357246088 248341058 /nfs/dbraw/zinc/34/10/58/248341058.db2.gz XCQSIRSULNJGAZ-CQSZACIVSA-N 2 2 298.431 -0.491 20 0 CBADLP COC[C@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000357318096 248349213 /nfs/dbraw/zinc/34/92/13/248349213.db2.gz IEWWHMQHSOMRAE-LBPRGKRZSA-N 2 2 255.362 -0.271 20 0 CBADLP COC[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000357318096 248349215 /nfs/dbraw/zinc/34/92/15/248349215.db2.gz IEWWHMQHSOMRAE-LBPRGKRZSA-N 2 2 255.362 -0.271 20 0 CBADLP CC[C@@H]1C[N@H+](CCNC(=O)[C@@H]2C[NH+](CC)CCO2)CCO1 ZINC000357366762 248353597 /nfs/dbraw/zinc/35/35/97/248353597.db2.gz CINZCAKAOCVFJE-KGLIPLIRSA-N 2 2 299.415 -0.066 20 0 CBADLP CC[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2C[NH+](CC)CCO2)CCO1 ZINC000357366762 248353602 /nfs/dbraw/zinc/35/36/02/248353602.db2.gz CINZCAKAOCVFJE-KGLIPLIRSA-N 2 2 299.415 -0.066 20 0 CBADLP CC[C@@H]1C[NH+](CCNC(=O)[C@@H]2C[N@H+](CC)CCO2)CCO1 ZINC000357366762 248353608 /nfs/dbraw/zinc/35/36/08/248353608.db2.gz CINZCAKAOCVFJE-KGLIPLIRSA-N 2 2 299.415 -0.066 20 0 CBADLP CC[C@@H]1C[NH+](CCNC(=O)[C@@H]2C[N@@H+](CC)CCO2)CCO1 ZINC000357366762 248353611 /nfs/dbraw/zinc/35/36/11/248353611.db2.gz CINZCAKAOCVFJE-KGLIPLIRSA-N 2 2 299.415 -0.066 20 0 CBADLP CC(=O)N1CC[C@H](C[N@@H+](C)CC(=O)N2CC[NH+](C)CC2)C1 ZINC000357394515 248357002 /nfs/dbraw/zinc/35/70/02/248357002.db2.gz WGYNUYYSRNQCKK-CQSZACIVSA-N 2 2 296.415 -0.439 20 0 CBADLP CC(=O)N1CC[C@H](C[N@H+](C)CC(=O)N2CC[NH+](C)CC2)C1 ZINC000357394515 248357007 /nfs/dbraw/zinc/35/70/07/248357007.db2.gz WGYNUYYSRNQCKK-CQSZACIVSA-N 2 2 296.415 -0.439 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@]3(CNC(=O)C3)C2)CC1 ZINC000357392533 248357851 /nfs/dbraw/zinc/35/78/51/248357851.db2.gz RIMKTBBAMAWAEI-HNNXBMFYSA-N 2 2 294.399 -0.638 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@]3(CNC(=O)C3)C2)CC1 ZINC000357392533 248357855 /nfs/dbraw/zinc/35/78/55/248357855.db2.gz RIMKTBBAMAWAEI-HNNXBMFYSA-N 2 2 294.399 -0.638 20 0 CBADLP CC[C@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)C[C@H]1O ZINC000357610406 248380627 /nfs/dbraw/zinc/38/06/27/248380627.db2.gz NDYIRVNVVKIIMT-NWDGAFQWSA-N 2 2 255.362 -0.537 20 0 CBADLP CC[C@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)C[C@H]1O ZINC000357610406 248380630 /nfs/dbraw/zinc/38/06/30/248380630.db2.gz NDYIRVNVVKIIMT-NWDGAFQWSA-N 2 2 255.362 -0.537 20 0 CBADLP C[N@H+](CC(=O)NC(=O)NC1CC1)C1CC[NH+](CCO)CC1 ZINC000357649410 248389047 /nfs/dbraw/zinc/38/90/47/248389047.db2.gz PXAVSVOARNTMAC-UHFFFAOYSA-N 2 2 298.387 -0.637 20 0 CBADLP C[N@@H+](CC(=O)NC(=O)NC1CC1)C1CC[NH+](CCO)CC1 ZINC000357649410 248389050 /nfs/dbraw/zinc/38/90/50/248389050.db2.gz PXAVSVOARNTMAC-UHFFFAOYSA-N 2 2 298.387 -0.637 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000653129907 412885053 /nfs/dbraw/zinc/88/50/53/412885053.db2.gz NONWCSYXQILUDZ-LOWDOPEQSA-N 3 2 268.405 -0.149 20 0 CBADLP [NH3+]C[C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)CCO1 ZINC000653130538 412884931 /nfs/dbraw/zinc/88/49/31/412884931.db2.gz RJUXQEFFKLXJCW-GFCCVEGCSA-N 2 2 278.356 -0.052 20 0 CBADLP COC(=O)c1ccc(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)[nH]1 ZINC000347160017 218140561 /nfs/dbraw/zinc/14/05/61/218140561.db2.gz GNMBRFFSOKPHAC-UHFFFAOYSA-N 2 2 294.355 -0.335 20 0 CBADLP COC(=O)c1ccc(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)[nH]1 ZINC000347160017 218140564 /nfs/dbraw/zinc/14/05/64/218140564.db2.gz GNMBRFFSOKPHAC-UHFFFAOYSA-N 2 2 294.355 -0.335 20 0 CBADLP CC(C)([NH3+])C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000347128245 218130857 /nfs/dbraw/zinc/13/08/57/218130857.db2.gz PDZCBWCIDKUMNR-LBPRGKRZSA-N 3 2 268.405 -0.133 20 0 CBADLP CC(C)([NH3+])C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000347128245 218130860 /nfs/dbraw/zinc/13/08/60/218130860.db2.gz PDZCBWCIDKUMNR-LBPRGKRZSA-N 3 2 268.405 -0.133 20 0 CBADLP COC(=O)c1coc(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)c1 ZINC000347189302 218149354 /nfs/dbraw/zinc/14/93/54/218149354.db2.gz DENKHNQRVHKBMX-UHFFFAOYSA-N 2 2 295.339 -0.070 20 0 CBADLP COC(=O)c1coc(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)c1 ZINC000347189302 218149355 /nfs/dbraw/zinc/14/93/55/218149355.db2.gz DENKHNQRVHKBMX-UHFFFAOYSA-N 2 2 295.339 -0.070 20 0 CBADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000347539878 218266445 /nfs/dbraw/zinc/26/64/45/218266445.db2.gz LSAOPOXGGRFKKR-NSHDSACASA-N 2 2 272.374 -0.056 20 0 CBADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000347539878 218266447 /nfs/dbraw/zinc/26/64/47/218266447.db2.gz LSAOPOXGGRFKKR-NSHDSACASA-N 2 2 272.374 -0.056 20 0 CBADLP C[NH+](C)CCN1C[C@@H](C(=O)NCc2[nH]cc[nH+]2)CC1=O ZINC000266808348 190281543 /nfs/dbraw/zinc/28/15/43/190281543.db2.gz FHJRFEIZRGZHKW-JTQLQIEISA-N 2 2 279.344 -0.564 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)Cn1cc[nH+]c1 ZINC000267082052 190302039 /nfs/dbraw/zinc/30/20/39/190302039.db2.gz JEMOUHBCWLVPTD-RYUDHWBXSA-N 2 2 266.345 -0.034 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)Cn1cc[nH+]c1 ZINC000267082052 190302040 /nfs/dbraw/zinc/30/20/40/190302040.db2.gz JEMOUHBCWLVPTD-RYUDHWBXSA-N 2 2 266.345 -0.034 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000347705666 218327643 /nfs/dbraw/zinc/32/76/43/218327643.db2.gz ULUTYJHNFAYUSG-KBPBESRZSA-N 2 2 298.431 -0.683 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000347705666 218327645 /nfs/dbraw/zinc/32/76/45/218327645.db2.gz ULUTYJHNFAYUSG-KBPBESRZSA-N 2 2 298.431 -0.683 20 0 CBADLP Cc1cccc2[nH+]c(CNC(=O)CNC(=O)C[NH3+])cn21 ZINC000347707681 218330836 /nfs/dbraw/zinc/33/08/36/218330836.db2.gz XVWLJKVULCJRPV-UHFFFAOYSA-N 2 2 275.312 -0.666 20 0 CBADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000347743259 218342975 /nfs/dbraw/zinc/34/29/75/218342975.db2.gz FHLWQKOJXSKBAU-SNVBAGLBSA-N 2 2 272.374 -0.414 20 0 CBADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000347743259 218342976 /nfs/dbraw/zinc/34/29/76/218342976.db2.gz FHLWQKOJXSKBAU-SNVBAGLBSA-N 2 2 272.374 -0.414 20 0 CBADLP CC(=O)NC[C@H]1C[N@H+](CCc2c[nH+]cn2C)CCO1 ZINC000347760484 218347695 /nfs/dbraw/zinc/34/76/95/218347695.db2.gz UFQVDLRHZXGWGS-ZDUSSCGKSA-N 2 2 266.345 -0.201 20 0 CBADLP CC(=O)NC[C@H]1C[N@@H+](CCc2c[nH+]cn2C)CCO1 ZINC000347760484 218347697 /nfs/dbraw/zinc/34/76/97/218347697.db2.gz UFQVDLRHZXGWGS-ZDUSSCGKSA-N 2 2 266.345 -0.201 20 0 CBADLP CC[N@H+](CCO)CCNC(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000347796433 218359323 /nfs/dbraw/zinc/35/93/23/218359323.db2.gz VTQXRKOPRSPPFU-GFCCVEGCSA-N 2 2 273.377 -0.863 20 0 CBADLP CC[N@@H+](CCO)CCNC(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000347796433 218359325 /nfs/dbraw/zinc/35/93/25/218359325.db2.gz VTQXRKOPRSPPFU-GFCCVEGCSA-N 2 2 273.377 -0.863 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NC[C@@H](C)[NH+](C)C ZINC000347826981 218370556 /nfs/dbraw/zinc/37/05/56/218370556.db2.gz XHOYWRONMUTQOU-LLVKDONJSA-N 2 2 272.393 -0.491 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NC[C@@H](C)[NH+](C)C ZINC000347826981 218370557 /nfs/dbraw/zinc/37/05/57/218370557.db2.gz XHOYWRONMUTQOU-LLVKDONJSA-N 2 2 272.393 -0.491 20 0 CBADLP C[NH+]1CCN(C(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)CC1 ZINC000279080673 194275651 /nfs/dbraw/zinc/27/56/51/194275651.db2.gz VCXLVMYALBKVLH-SNVBAGLBSA-N 2 2 263.345 -0.126 20 0 CBADLP C[NH+]1CCN(C(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)CC1 ZINC000279080672 194275813 /nfs/dbraw/zinc/27/58/13/194275813.db2.gz VCXLVMYALBKVLH-JTQLQIEISA-N 2 2 263.345 -0.126 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH+]2CCC(CC(N)=O)CC2)CC1 ZINC000093159297 207366679 /nfs/dbraw/zinc/36/66/79/207366679.db2.gz GQALEYWNRFBANT-UHFFFAOYSA-N 2 2 282.388 -0.652 20 0 CBADLP C[C@@H]1C[C@@H]([NH+](C)CCN2C(=O)CNC2=O)CC[N@@H+]1C ZINC000123784965 207370620 /nfs/dbraw/zinc/37/06/20/207370620.db2.gz AQGPMFFEXXTUIA-MNOVXSKESA-N 2 2 268.361 -0.047 20 0 CBADLP C[C@@H]1C[C@@H]([NH+](C)CCN2C(=O)CNC2=O)CC[N@H+]1C ZINC000123784965 207370626 /nfs/dbraw/zinc/37/06/26/207370626.db2.gz AQGPMFFEXXTUIA-MNOVXSKESA-N 2 2 268.361 -0.047 20 0 CBADLP C[C@@H]1C[C@@H]([N@H+](C)CCN2C(=O)CNC2=O)CC[NH+]1C ZINC000123784965 207370633 /nfs/dbraw/zinc/37/06/33/207370633.db2.gz AQGPMFFEXXTUIA-MNOVXSKESA-N 2 2 268.361 -0.047 20 0 CBADLP C[C@@H]1C[C@@H]([N@@H+](C)CCN2C(=O)CNC2=O)CC[NH+]1C ZINC000123784965 207370641 /nfs/dbraw/zinc/37/06/41/207370641.db2.gz AQGPMFFEXXTUIA-MNOVXSKESA-N 2 2 268.361 -0.047 20 0 CBADLP C[C@H]1C[C@H]([NH+](C)CCN2C(=O)CNC2=O)CC[N@@H+]1C ZINC000123784741 207371138 /nfs/dbraw/zinc/37/11/38/207371138.db2.gz AQGPMFFEXXTUIA-WDEREUQCSA-N 2 2 268.361 -0.047 20 0 CBADLP C[C@H]1C[C@H]([NH+](C)CCN2C(=O)CNC2=O)CC[N@H+]1C ZINC000123784741 207371143 /nfs/dbraw/zinc/37/11/43/207371143.db2.gz AQGPMFFEXXTUIA-WDEREUQCSA-N 2 2 268.361 -0.047 20 0 CBADLP C[C@H]1C[C@H]([N@H+](C)CCN2C(=O)CNC2=O)CC[NH+]1C ZINC000123784741 207371146 /nfs/dbraw/zinc/37/11/46/207371146.db2.gz AQGPMFFEXXTUIA-WDEREUQCSA-N 2 2 268.361 -0.047 20 0 CBADLP C[C@H]1C[C@H]([N@@H+](C)CCN2C(=O)CNC2=O)CC[NH+]1C ZINC000123784741 207371150 /nfs/dbraw/zinc/37/11/50/207371150.db2.gz AQGPMFFEXXTUIA-WDEREUQCSA-N 2 2 268.361 -0.047 20 0 CBADLP C[N@H+](CCCO)C1CC[NH+](CCOCCO)CC1 ZINC000133130868 207374671 /nfs/dbraw/zinc/37/46/71/207374671.db2.gz VGRRIEAGKKMSKC-UHFFFAOYSA-N 2 2 260.378 -0.226 20 0 CBADLP C[N@@H+](CCCO)C1CC[NH+](CCOCCO)CC1 ZINC000133130868 207374676 /nfs/dbraw/zinc/37/46/76/207374676.db2.gz VGRRIEAGKKMSKC-UHFFFAOYSA-N 2 2 260.378 -0.226 20 0 CBADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCNC(=O)C2)CC1 ZINC000153630774 207381504 /nfs/dbraw/zinc/38/15/04/207381504.db2.gz KDVKUYCFYYHFNR-UHFFFAOYSA-N 2 2 297.403 -0.846 20 0 CBADLP CC[N@H+](CCNC(=O)CN1CC[NH2+]CC1=O)C1CC1 ZINC000167208471 207396859 /nfs/dbraw/zinc/39/68/59/207396859.db2.gz DDWXSRFVNWATFN-UHFFFAOYSA-N 2 2 268.361 -0.981 20 0 CBADLP CC[N@@H+](CCNC(=O)CN1CC[NH2+]CC1=O)C1CC1 ZINC000167208471 207396864 /nfs/dbraw/zinc/39/68/64/207396864.db2.gz DDWXSRFVNWATFN-UHFFFAOYSA-N 2 2 268.361 -0.981 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000165044263 207398038 /nfs/dbraw/zinc/39/80/38/207398038.db2.gz WHGDBOPRBYSXAJ-QWHCGFSZSA-N 2 2 285.388 -0.408 20 0 CBADLP C[C@H](CNC(=O)[C@@]1(C)CC[NH2+]C1)[NH+]1CCOCC1 ZINC000164912654 207398714 /nfs/dbraw/zinc/39/87/14/207398714.db2.gz ODZMUYRSHNKNJE-YPMHNXCESA-N 2 2 255.362 -0.177 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000165044380 207398938 /nfs/dbraw/zinc/39/89/38/207398938.db2.gz WHGDBOPRBYSXAJ-CHWSQXEVSA-N 2 2 285.388 -0.408 20 0 CBADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000362830624 296339870 /nfs/dbraw/zinc/33/98/70/296339870.db2.gz LJIFCSABYKTIER-AWEZNQCLSA-N 2 2 296.415 -0.785 20 0 CBADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000362830624 296339871 /nfs/dbraw/zinc/33/98/71/296339871.db2.gz LJIFCSABYKTIER-AWEZNQCLSA-N 2 2 296.415 -0.785 20 0 CBADLP CCC[N@H+](C)CC(=O)N1CC[NH+](CCO)[C@H](C)C1 ZINC000428530575 208091970 /nfs/dbraw/zinc/09/19/70/208091970.db2.gz JHWZRTMHWKCVHZ-GFCCVEGCSA-N 2 2 257.378 -0.147 20 0 CBADLP CCC[N@@H+](C)CC(=O)N1CC[NH+](CCO)[C@H](C)C1 ZINC000428530575 208091974 /nfs/dbraw/zinc/09/19/74/208091974.db2.gz JHWZRTMHWKCVHZ-GFCCVEGCSA-N 2 2 257.378 -0.147 20 0 CBADLP CCC[NH+](C)CC(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000428530575 208091979 /nfs/dbraw/zinc/09/19/79/208091979.db2.gz JHWZRTMHWKCVHZ-GFCCVEGCSA-N 2 2 257.378 -0.147 20 0 CBADLP CCC[NH+](C)CC(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000428530575 208091981 /nfs/dbraw/zinc/09/19/81/208091981.db2.gz JHWZRTMHWKCVHZ-GFCCVEGCSA-N 2 2 257.378 -0.147 20 0 CBADLP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)CC(=O)NC1CC1 ZINC000429670117 208127130 /nfs/dbraw/zinc/12/71/30/208127130.db2.gz IXQUDVNPZVECSG-UHFFFAOYSA-N 2 2 282.388 -0.639 20 0 CBADLP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)CC(=O)NC1CC1 ZINC000429670117 208127131 /nfs/dbraw/zinc/12/71/31/208127131.db2.gz IXQUDVNPZVECSG-UHFFFAOYSA-N 2 2 282.388 -0.639 20 0 CBADLP CCCN(C(=O)CN1CC[NH2+]CC1=O)[C@@H]1CC[NH2+]C1 ZINC000429109274 208109254 /nfs/dbraw/zinc/10/92/54/208109254.db2.gz ZKYYAOOVLXHQRR-LLVKDONJSA-N 2 2 268.361 -0.981 20 0 CBADLP C[C@H](C(=O)N1CC[C@H]([NH3+])[C@H](C)C1)[NH+]1CCOCC1 ZINC000429153767 208112346 /nfs/dbraw/zinc/11/23/46/208112346.db2.gz WTAYOBYMKDXLSF-UTUOFQBUSA-N 2 2 255.362 -0.097 20 0 CBADLP COC[C@@H](C)NC(=O)NC(=O)C[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000430577312 208165437 /nfs/dbraw/zinc/16/54/37/208165437.db2.gz ZDDQGVQLXBXOIN-NOZJJQNGSA-N 2 2 286.376 -0.436 20 0 CBADLP COC[C@@H](C)NC(=O)NC(=O)C[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000430577317 208165835 /nfs/dbraw/zinc/16/58/35/208165835.db2.gz ZDDQGVQLXBXOIN-RNCFNFMXSA-N 2 2 286.376 -0.436 20 0 CBADLP CCCNC(=O)NC(=O)C[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000430587408 208166834 /nfs/dbraw/zinc/16/68/34/208166834.db2.gz ZIGBIGOSGVAGNJ-LBPRGKRZSA-N 2 2 256.350 -0.061 20 0 CBADLP CCCNC(=O)NC(=O)C[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000430587406 208167022 /nfs/dbraw/zinc/16/70/22/208167022.db2.gz ZIGBIGOSGVAGNJ-GFCCVEGCSA-N 2 2 256.350 -0.061 20 0 CBADLP C[N@H+](CC(=O)NCC(=O)N1CCCC1)CC(C)(C)C[NH3+] ZINC000430588842 208167118 /nfs/dbraw/zinc/16/71/18/208167118.db2.gz GINDZDKLIKMWJT-UHFFFAOYSA-N 2 2 284.404 -0.358 20 0 CBADLP C[N@@H+](CC(=O)NCC(=O)N1CCCC1)CC(C)(C)C[NH3+] ZINC000430588842 208167120 /nfs/dbraw/zinc/16/71/20/208167120.db2.gz GINDZDKLIKMWJT-UHFFFAOYSA-N 2 2 284.404 -0.358 20 0 CBADLP CC(C)N(C)C(=O)[C@H](C)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430657770 208170099 /nfs/dbraw/zinc/17/00/99/208170099.db2.gz WPEQRBYNIQGWKO-LBPRGKRZSA-N 2 2 284.404 -0.395 20 0 CBADLP CC(C)N(C)C(=O)[C@H](C)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430657770 208170106 /nfs/dbraw/zinc/17/01/06/208170106.db2.gz WPEQRBYNIQGWKO-LBPRGKRZSA-N 2 2 284.404 -0.395 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000430689167 208170702 /nfs/dbraw/zinc/17/07/02/208170702.db2.gz BDXBSNHNRSIIHP-NEPJUHHUSA-N 2 2 280.372 -0.839 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000430689167 208170708 /nfs/dbraw/zinc/17/07/08/208170708.db2.gz BDXBSNHNRSIIHP-NEPJUHHUSA-N 2 2 280.372 -0.839 20 0 CBADLP O=C(NCCc1cn2c([nH+]1)CCCC2)[C@@H]1C[NH2+]CCO1 ZINC000430696444 208172689 /nfs/dbraw/zinc/17/26/89/208172689.db2.gz VQFNWVYBYSGRDY-LBPRGKRZSA-N 2 2 278.356 -0.134 20 0 CBADLP CC(C)([NH3+])C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000430722809 208174152 /nfs/dbraw/zinc/17/41/52/208174152.db2.gz HFFAHXUGKZGMOD-UHFFFAOYSA-N 2 2 296.415 -0.216 20 0 CBADLP COCC[NH2+]CC(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000430718126 208176121 /nfs/dbraw/zinc/17/61/21/208176121.db2.gz GHOHVJACFSFGQX-UHFFFAOYSA-N 2 2 269.349 -0.662 20 0 CBADLP COCC[NH2+]CC(=O)NCC1([NH+]2CCOCC2)CCCC1 ZINC000361717812 285075348 /nfs/dbraw/zinc/07/53/48/285075348.db2.gz INFGEJYOTHWWTO-UHFFFAOYSA-N 2 2 299.415 -0.016 20 0 CBADLP C[C@@H](CNC(=O)CN1CC[NH2+]CC1=O)[N@@H+]1CCC[C@H](C)C1 ZINC000430740021 208178996 /nfs/dbraw/zinc/17/89/96/208178996.db2.gz ITRXEDOWBYQIDX-STQMWFEESA-N 2 2 296.415 -0.345 20 0 CBADLP C[C@@H](CNC(=O)CN1CC[NH2+]CC1=O)[N@H+]1CCC[C@H](C)C1 ZINC000430740021 208179001 /nfs/dbraw/zinc/17/90/01/208179001.db2.gz ITRXEDOWBYQIDX-STQMWFEESA-N 2 2 296.415 -0.345 20 0 CBADLP O=C([C@H]1COCC[NH2+]1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000430782956 208181707 /nfs/dbraw/zinc/18/17/07/208181707.db2.gz KZVBSBLTRNUIMJ-QWHCGFSZSA-N 2 2 283.372 -0.845 20 0 CBADLP CC[N@@H+]1CC[C@@H](N(C)C(=O)CN2CC[NH2+]CC2=O)[C@H](C)C1 ZINC000430801824 208182001 /nfs/dbraw/zinc/18/20/01/208182001.db2.gz HKLZPZKOWQKUOU-CHWSQXEVSA-N 2 2 296.415 -0.393 20 0 CBADLP CC[N@H+]1CC[C@@H](N(C)C(=O)CN2CC[NH2+]CC2=O)[C@H](C)C1 ZINC000430801824 208182004 /nfs/dbraw/zinc/18/20/04/208182004.db2.gz HKLZPZKOWQKUOU-CHWSQXEVSA-N 2 2 296.415 -0.393 20 0 CBADLP O=C([C@@H]1COCC[NH2+]1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000430782955 208182766 /nfs/dbraw/zinc/18/27/66/208182766.db2.gz KZVBSBLTRNUIMJ-OLZOCXBDSA-N 2 2 283.372 -0.845 20 0 CBADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)C[NH2+]CC2CC2)CC1 ZINC000430803531 208183433 /nfs/dbraw/zinc/18/34/33/208183433.db2.gz VBBCGARTYPVLMF-UHFFFAOYSA-N 2 2 282.388 -0.606 20 0 CBADLP [NH3+]CCC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000430876539 208188198 /nfs/dbraw/zinc/18/81/98/208188198.db2.gz FXQXTOLACFIIBB-UHFFFAOYSA-N 2 2 267.333 -0.497 20 0 CBADLP O=C([C@H]1COCC[NH2+]1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000431002697 208194613 /nfs/dbraw/zinc/19/46/13/208194613.db2.gz NNSNZRNPUVOSGS-LLVKDONJSA-N 2 2 279.344 -0.958 20 0 CBADLP [NH3+]CCCC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000431007086 208194658 /nfs/dbraw/zinc/19/46/58/208194658.db2.gz SXIZIXALCZQQMY-UHFFFAOYSA-N 2 2 251.334 -0.207 20 0 CBADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)NC(=O)N[C@@H](C)COC)C1 ZINC000430970356 208194853 /nfs/dbraw/zinc/19/48/53/208194853.db2.gz JRVINZVUKIXQPS-WDEREUQCSA-N 2 2 286.376 -0.612 20 0 CBADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)NC(=O)N[C@@H](C)COC)C1 ZINC000430970356 208194860 /nfs/dbraw/zinc/19/48/60/208194860.db2.gz JRVINZVUKIXQPS-WDEREUQCSA-N 2 2 286.376 -0.612 20 0 CBADLP O=C([C@H]1CC[NH2+]C1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000431005514 208197239 /nfs/dbraw/zinc/19/72/39/208197239.db2.gz NBSCDLTYNZOEOD-NSHDSACASA-N 2 2 263.345 -0.337 20 0 CBADLP C[C@@H]1C[C@@H](NC(=O)CN2CC[NH2+]CC2=O)C[N@@H+]1C1CC1 ZINC000431028968 208202251 /nfs/dbraw/zinc/20/22/51/208202251.db2.gz WKHAQSNHQOOKAY-GHMZBOCLSA-N 2 2 280.372 -0.840 20 0 CBADLP C[C@@H]1C[C@@H](NC(=O)CN2CC[NH2+]CC2=O)C[N@H+]1C1CC1 ZINC000431028968 208202257 /nfs/dbraw/zinc/20/22/57/208202257.db2.gz WKHAQSNHQOOKAY-GHMZBOCLSA-N 2 2 280.372 -0.840 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@H](C[NH3+])C(C)C)CC1 ZINC000433157558 208239099 /nfs/dbraw/zinc/23/90/99/208239099.db2.gz GPDQKAPOARHHRW-CYBMUJFWSA-N 2 2 284.404 -0.502 20 0 CBADLP CC(C)[C@@H](C[NH3+])C(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000433167768 208239346 /nfs/dbraw/zinc/23/93/46/208239346.db2.gz JWYJQRXCANZTRO-CHWSQXEVSA-N 2 2 270.421 -0.031 20 0 CBADLP CC(C)[C@H](C[NH3+])C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000433152024 208239491 /nfs/dbraw/zinc/23/94/91/208239491.db2.gz PTHAKJBXAVAYSR-NSHDSACASA-N 2 2 284.404 -0.375 20 0 CBADLP C[NH+](C)CCNC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000434461264 208260518 /nfs/dbraw/zinc/26/05/18/208260518.db2.gz UCOJBXITUWTPPZ-UHFFFAOYSA-N 2 2 270.377 -0.288 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)CC[C@@H](C)[NH3+])CC1 ZINC000434677248 208264921 /nfs/dbraw/zinc/26/49/21/208264921.db2.gz VQYHDDYUAQBHLN-LLVKDONJSA-N 2 2 270.377 -0.606 20 0 CBADLP CCS(=O)(=O)NCC[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000435616720 208281472 /nfs/dbraw/zinc/28/14/72/208281472.db2.gz MTKBWXZZOMISOE-LLVKDONJSA-N 2 2 263.407 0.000 20 0 CBADLP CCS(=O)(=O)NCC[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000435616720 208281476 /nfs/dbraw/zinc/28/14/76/208281476.db2.gz MTKBWXZZOMISOE-LLVKDONJSA-N 2 2 263.407 0.000 20 0 CBADLP C[NH2+]CCCN1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000435877202 208284478 /nfs/dbraw/zinc/28/44/78/208284478.db2.gz OIHUPKYEEFUARW-GFCCVEGCSA-N 2 2 268.405 -0.119 20 0 CBADLP CCN(CC)C(=O)C[NH+]1CCN(C[C@H](C)[NH3+])CC1 ZINC000442656220 208357645 /nfs/dbraw/zinc/35/76/45/208357645.db2.gz FELYHKBTIVBRSC-LBPRGKRZSA-N 2 2 256.394 -0.180 20 0 CBADLP CC(C)[C@](C)(CNC(=O)C[NH+](C)C)NC(=O)C[NH+](C)C ZINC000442645748 208358333 /nfs/dbraw/zinc/35/83/33/208358333.db2.gz GSGQSVKIUWUVDN-AWEZNQCLSA-N 2 2 286.420 -0.243 20 0 CBADLP C[C@@H]([NH3+])CN1CC[NH+]([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000442664487 208359691 /nfs/dbraw/zinc/35/96/91/208359691.db2.gz WLVOQEFTHQIFGE-OLZOCXBDSA-N 2 2 284.404 -0.802 20 0 CBADLP C[C@H]([NH3+])CN1CC[NH+]([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000442664493 208360402 /nfs/dbraw/zinc/36/04/02/208360402.db2.gz WLVOQEFTHQIFGE-STQMWFEESA-N 2 2 284.404 -0.802 20 0 CBADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)NCC(=O)N1CCCC1 ZINC000442789657 208366585 /nfs/dbraw/zinc/36/65/85/208366585.db2.gz KASHEFJPZXZNPY-NEPJUHHUSA-N 2 2 282.388 -0.606 20 0 CBADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)NCC(=O)N1CCCC1 ZINC000442789657 208366588 /nfs/dbraw/zinc/36/65/88/208366588.db2.gz KASHEFJPZXZNPY-NEPJUHHUSA-N 2 2 282.388 -0.606 20 0 CBADLP C[C@@H]1CCCN(C(=O)C[N@H+](C)CC(=O)N2CC[NH2+]CC2)C1 ZINC000038031442 296368643 /nfs/dbraw/zinc/36/86/43/296368643.db2.gz JDIVJQOMLQMGKS-CYBMUJFWSA-N 2 2 296.415 -0.392 20 0 CBADLP C[C@@H]1CCCN(C(=O)C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)C1 ZINC000038031442 296368645 /nfs/dbraw/zinc/36/86/45/296368645.db2.gz JDIVJQOMLQMGKS-CYBMUJFWSA-N 2 2 296.415 -0.392 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H](C)C[NH+](C)C ZINC000350519943 219032943 /nfs/dbraw/zinc/03/29/43/219032943.db2.gz QOGRGDMIEKJRPK-NWDGAFQWSA-N 2 2 272.393 -0.044 20 0 CBADLP COC[C@@H]([NH3+])C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000353803357 220340305 /nfs/dbraw/zinc/34/03/05/220340305.db2.gz KKLUSEWNVFKIFC-NEPJUHHUSA-N 2 2 273.377 -0.567 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@@]2(C)CCC[NH2+]2)CC1 ZINC000574813787 335049660 /nfs/dbraw/zinc/04/96/60/335049660.db2.gz KUVYTEYWWYLWER-CYBMUJFWSA-N 2 2 255.362 -0.081 20 0 CBADLP CC(C)C[C@@H](C[NH3+])NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000574862100 335052930 /nfs/dbraw/zinc/05/29/30/335052930.db2.gz CPPMGIVNBIHIDX-RYUDHWBXSA-N 3 2 271.409 -0.356 20 0 CBADLP CC(C)C[C@@H](C[NH3+])NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000574862100 335052931 /nfs/dbraw/zinc/05/29/31/335052931.db2.gz CPPMGIVNBIHIDX-RYUDHWBXSA-N 3 2 271.409 -0.356 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000281328302 195199271 /nfs/dbraw/zinc/19/92/71/195199271.db2.gz VJSYBYYDPIGSBE-CYBMUJFWSA-N 2 2 277.372 -0.531 20 0 CBADLP COC[C@H](C)NC(=[NH2+])NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000366453746 285342597 /nfs/dbraw/zinc/34/25/97/285342597.db2.gz CPLUNLLOCVVSCF-CMPLNLGQSA-N 2 2 270.377 -0.002 20 0 CBADLP COC[C@H](C)NC(=[NH2+])NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000366453746 285342600 /nfs/dbraw/zinc/34/26/00/285342600.db2.gz CPLUNLLOCVVSCF-CMPLNLGQSA-N 2 2 270.377 -0.002 20 0 CBADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](C[C@@H](O)CN2CCOCC2)C1 ZINC000575069161 335061686 /nfs/dbraw/zinc/06/16/86/335061686.db2.gz PPYUSOMCZCCSFQ-KGLIPLIRSA-N 2 2 294.399 -0.098 20 0 CBADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](C[C@@H](O)CN2CCOCC2)C1 ZINC000575069161 335061687 /nfs/dbraw/zinc/06/16/87/335061687.db2.gz PPYUSOMCZCCSFQ-KGLIPLIRSA-N 2 2 294.399 -0.098 20 0 CBADLP COC[C@]1(C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)CC[NH2+]C1 ZINC000423374136 285477615 /nfs/dbraw/zinc/47/76/15/285477615.db2.gz HUXFXBJLVNPNLS-YDHLFZDLSA-N 2 2 299.415 -0.162 20 0 CBADLP CC(=O)NCCC[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000171409258 335065041 /nfs/dbraw/zinc/06/50/41/335065041.db2.gz VNPSDRAOEYZBIN-UHFFFAOYSA-N 2 2 296.415 -0.247 20 0 CBADLP CC(C)c1nc(N2CC[NH2+][C@H](C(N)=O)C2)nc(N(C)C)[nH+]1 ZINC000270961988 135089423 /nfs/dbraw/zinc/08/94/23/135089423.db2.gz RDDWSYMZOGLYME-VIFPVBQESA-N 2 2 293.375 -0.676 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)N2CC[NH+](C[C@@H](C)O)C[C@@H]2C)[N@H+](C)C1 ZINC000408056048 286083148 /nfs/dbraw/zinc/08/31/48/286083148.db2.gz CDJLJPDDZYZTJX-CRWXNKLISA-N 2 2 299.415 -0.381 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)N2CC[NH+](C[C@@H](C)O)C[C@@H]2C)[N@@H+](C)C1 ZINC000408056048 286083150 /nfs/dbraw/zinc/08/31/50/286083150.db2.gz CDJLJPDDZYZTJX-CRWXNKLISA-N 2 2 299.415 -0.381 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)[NH+](C)C1 ZINC000408056048 286083152 /nfs/dbraw/zinc/08/31/52/286083152.db2.gz CDJLJPDDZYZTJX-CRWXNKLISA-N 2 2 299.415 -0.381 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)[NH+](C)C1 ZINC000408056048 286083154 /nfs/dbraw/zinc/08/31/54/286083154.db2.gz CDJLJPDDZYZTJX-CRWXNKLISA-N 2 2 299.415 -0.381 20 0 CBADLP C[C@H](C(N)=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372370415 289392874 /nfs/dbraw/zinc/39/28/74/289392874.db2.gz RHZAOOBIHCVSNX-DGCLKSJQSA-N 2 2 268.405 -0.040 20 0 CBADLP C[C@H](C(N)=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372370415 289392876 /nfs/dbraw/zinc/39/28/76/289392876.db2.gz RHZAOOBIHCVSNX-DGCLKSJQSA-N 2 2 268.405 -0.040 20 0 CBADLP O=S(=O)(NCCC[NH+]1CCOCC1)[C@H]1CCC[NH2+]C1 ZINC000037393639 173174602 /nfs/dbraw/zinc/17/46/02/173174602.db2.gz RLUCLVAAMIRJRN-LBPRGKRZSA-N 2 2 291.417 -0.620 20 0 CBADLP CCC(C)(C)NC(=O)C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031333 174024929 /nfs/dbraw/zinc/02/49/29/174024929.db2.gz KUKGZXXUZLDOOC-UHFFFAOYSA-N 2 2 284.404 -0.345 20 0 CBADLP CCC(C)(C)NC(=O)C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031333 174024930 /nfs/dbraw/zinc/02/49/30/174024930.db2.gz KUKGZXXUZLDOOC-UHFFFAOYSA-N 2 2 284.404 -0.345 20 0 CBADLP C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+](C)C[C@@H](O)C[NH3+] ZINC000336794645 287291281 /nfs/dbraw/zinc/29/12/81/287291281.db2.gz DONYIDLSZAZMDW-WOPDTQHZSA-N 2 2 257.378 -0.067 20 0 CBADLP C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000336794645 287291282 /nfs/dbraw/zinc/29/12/82/287291282.db2.gz DONYIDLSZAZMDW-WOPDTQHZSA-N 2 2 257.378 -0.067 20 0 CBADLP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000040632747 174358799 /nfs/dbraw/zinc/35/87/99/174358799.db2.gz ZCWBVRNREVBWEG-SDDRHHMPSA-N 2 2 271.361 -0.800 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC(O)CC2)CC1 ZINC000043302457 175002282 /nfs/dbraw/zinc/00/22/82/175002282.db2.gz IVYRDOUNXSKIQF-GFCCVEGCSA-N 2 2 269.389 -0.004 20 0 CBADLP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000044531362 175196281 /nfs/dbraw/zinc/19/62/81/175196281.db2.gz ZYLCOFDJJVXPEG-NXEZZACHSA-N 2 2 256.350 -0.109 20 0 CBADLP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044531362 175196283 /nfs/dbraw/zinc/19/62/83/175196283.db2.gz ZYLCOFDJJVXPEG-NXEZZACHSA-N 2 2 256.350 -0.109 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[N@@H+]1CC[C@H](C[NH2+]C)C1 ZINC000071146856 176042468 /nfs/dbraw/zinc/04/24/68/176042468.db2.gz OGKPSFPOMGTHCP-GFCCVEGCSA-N 2 2 284.404 -0.488 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC000071146856 176042469 /nfs/dbraw/zinc/04/24/69/176042469.db2.gz OGKPSFPOMGTHCP-GFCCVEGCSA-N 2 2 284.404 -0.488 20 0 CBADLP C[NH+](C)CC(=O)N1CC[NH+](C[C@@H]2COCCO2)CC1 ZINC000354921625 227236669 /nfs/dbraw/zinc/23/66/69/227236669.db2.gz PYNSFSNTFAYPIR-GFCCVEGCSA-N 2 2 271.361 -0.892 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N(C)CC[NH+](C)C ZINC000356118649 228128506 /nfs/dbraw/zinc/12/85/06/228128506.db2.gz PLCAEPJPZHEPBH-GFCCVEGCSA-N 2 2 272.393 -0.090 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C[C@H]1CC[NH2+]C1 ZINC000089741833 544438161 /nfs/dbraw/zinc/43/81/61/544438161.db2.gz LMMPKHVZMBHJCL-NWDGAFQWSA-N 2 2 255.362 -0.177 20 0 CBADLP COc1cc(N2CC[NH+](CCC[NH3+])CC2)ncn1 ZINC000090783539 544439907 /nfs/dbraw/zinc/43/99/07/544439907.db2.gz GSPSTHXDHOOWMC-UHFFFAOYSA-N 2 2 251.334 -0.044 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH+]2CCC(OCCCO)CC2)CC1 ZINC000093189195 544443242 /nfs/dbraw/zinc/44/32/42/544443242.db2.gz JJQZLGIUNAFPHP-UHFFFAOYSA-N 2 2 299.415 -0.376 20 0 CBADLP CN(C)C(=O)C[NH+]1CCN(C(=O)CC2([NH3+])CCC2)CC1 ZINC000094294385 544444066 /nfs/dbraw/zinc/44/40/66/544444066.db2.gz SFQGJEWRBMWRDQ-UHFFFAOYSA-N 2 2 282.388 -0.510 20 0 CBADLP C[NH+](C)C1(CNC[C@H](O)C[NH+]2CCOCC2)CCC1 ZINC000097930890 544445365 /nfs/dbraw/zinc/44/53/65/544445365.db2.gz WMUUWOMCSDAJIA-ZDUSSCGKSA-N 2 2 271.405 -0.247 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)[C@@H]2C[NH+](C)CCO2)C1 ZINC000123979134 544452415 /nfs/dbraw/zinc/45/24/15/544452415.db2.gz BYSLNEOMGHATAH-AVGNSLFASA-N 2 2 285.388 -0.458 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C)[C@@H]2C[NH+](C)CCO2)C1 ZINC000123979134 544452420 /nfs/dbraw/zinc/45/24/20/544452420.db2.gz BYSLNEOMGHATAH-AVGNSLFASA-N 2 2 285.388 -0.458 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000123979134 544452422 /nfs/dbraw/zinc/45/24/22/544452422.db2.gz BYSLNEOMGHATAH-AVGNSLFASA-N 2 2 285.388 -0.458 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000123979134 544452428 /nfs/dbraw/zinc/45/24/28/544452428.db2.gz BYSLNEOMGHATAH-AVGNSLFASA-N 2 2 285.388 -0.458 20 0 CBADLP C[N@@H+]1CCC[C@@H]1CNC[C@@H](O)C[NH+]1CCOCC1 ZINC000226057613 544492830 /nfs/dbraw/zinc/49/28/30/544492830.db2.gz PLPLUFQQZBRNAC-CHWSQXEVSA-N 2 2 257.378 -0.637 20 0 CBADLP C[N@H+]1CCC[C@@H]1CNC[C@@H](O)C[NH+]1CCOCC1 ZINC000226057613 544492833 /nfs/dbraw/zinc/49/28/33/544492833.db2.gz PLPLUFQQZBRNAC-CHWSQXEVSA-N 2 2 257.378 -0.637 20 0 CBADLP Cc1cc(CO)cc(N2CC[NH+](CCO)CC2)[nH+]1 ZINC000228446532 544498114 /nfs/dbraw/zinc/49/81/14/544498114.db2.gz KHKISOVKHDPGKZ-UHFFFAOYSA-N 2 2 251.330 -0.003 20 0 CBADLP CC[N@H+](CC(=O)N(CCO)CC[NH+]1CCOCC1)C1CC1 ZINC000152398839 544467844 /nfs/dbraw/zinc/46/78/44/544467844.db2.gz YIPISMDWAQDAKE-UHFFFAOYSA-N 2 2 299.415 -0.376 20 0 CBADLP CC[N@@H+](CC(=O)N(CCO)CC[NH+]1CCOCC1)C1CC1 ZINC000152398839 544467847 /nfs/dbraw/zinc/46/78/47/544467847.db2.gz YIPISMDWAQDAKE-UHFFFAOYSA-N 2 2 299.415 -0.376 20 0 CBADLP C[C@@H]1C[C@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000156146398 544472556 /nfs/dbraw/zinc/47/25/56/544472556.db2.gz LOHCEORHQOZSRB-CHWSQXEVSA-N 3 2 268.405 -0.167 20 0 CBADLP C[C@@H]1C[C@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)CC[N@H+]1C ZINC000156146398 544472560 /nfs/dbraw/zinc/47/25/60/544472560.db2.gz LOHCEORHQOZSRB-CHWSQXEVSA-N 3 2 268.405 -0.167 20 0 CBADLP C[C@@H]1C[C@H](NCC(=O)N2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000156146398 544472562 /nfs/dbraw/zinc/47/25/62/544472562.db2.gz LOHCEORHQOZSRB-CHWSQXEVSA-N 2 2 268.405 -0.167 20 0 CBADLP C[C@@H]1C[C@H](NCC(=O)N2CC[NH+](C)CC2)CC[N@H+]1C ZINC000156146398 544472567 /nfs/dbraw/zinc/47/25/67/544472567.db2.gz LOHCEORHQOZSRB-CHWSQXEVSA-N 2 2 268.405 -0.167 20 0 CBADLP COc1ccc(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)cn1 ZINC000158314224 544473014 /nfs/dbraw/zinc/47/30/14/544473014.db2.gz QERQXHBEHABWQT-UHFFFAOYSA-N 2 2 278.356 -0.046 20 0 CBADLP COc1ccc(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)cn1 ZINC000158314224 544473018 /nfs/dbraw/zinc/47/30/18/544473018.db2.gz QERQXHBEHABWQT-UHFFFAOYSA-N 2 2 278.356 -0.046 20 0 CBADLP C[C@@H](CNC(=O)N[C@H]1CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000333755211 544545360 /nfs/dbraw/zinc/54/53/60/544545360.db2.gz AOLQXQLHLOIWNO-RYUDHWBXSA-N 2 2 270.377 -0.242 20 0 CBADLP CN(c1cc(N2CCN(C)C(=O)C2)nc[nH+]1)C1CC([NH3+])C1 ZINC000333884636 544546108 /nfs/dbraw/zinc/54/61/08/544546108.db2.gz FLKSRHYYSWATRL-UHFFFAOYSA-N 2 2 290.371 -0.319 20 0 CBADLP CN(c1cc(N2CCN(C)C(=O)C2)[nH+]cn1)C1CC([NH3+])C1 ZINC000333884636 544546115 /nfs/dbraw/zinc/54/61/15/544546115.db2.gz FLKSRHYYSWATRL-UHFFFAOYSA-N 2 2 290.371 -0.319 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@H]2CCCC[NH2+]2)CC1 ZINC000236577250 544506824 /nfs/dbraw/zinc/50/68/24/544506824.db2.gz WLZAHDXDZZMNBV-CYBMUJFWSA-N 2 2 282.388 -0.591 20 0 CBADLP CC(=O)N[C@@H]1CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000310909185 544529327 /nfs/dbraw/zinc/52/93/27/544529327.db2.gz QLMUWIFSBLZGBP-CHWSQXEVSA-N 2 2 257.378 -0.102 20 0 CBADLP CC(=O)N[C@@H]1CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C1 ZINC000310909185 544529331 /nfs/dbraw/zinc/52/93/31/544529331.db2.gz QLMUWIFSBLZGBP-CHWSQXEVSA-N 2 2 257.378 -0.102 20 0 CBADLP CC(=O)N[C@@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000310909185 544529334 /nfs/dbraw/zinc/52/93/34/544529334.db2.gz QLMUWIFSBLZGBP-CHWSQXEVSA-N 2 2 257.378 -0.102 20 0 CBADLP CC(=O)N[C@@H]1CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000310909185 544529337 /nfs/dbraw/zinc/52/93/37/544529337.db2.gz QLMUWIFSBLZGBP-CHWSQXEVSA-N 2 2 257.378 -0.102 20 0 CBADLP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@@H](C)Cn2cc[nH+]c2)C1 ZINC000040632517 419419053 /nfs/dbraw/zinc/41/90/53/419419053.db2.gz UTTWZJOAADFKQE-GARJFASQSA-N 2 2 252.318 -0.235 20 0 CBADLP Cc1nc(N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)nc(N)[nH+]1 ZINC000631098757 419475789 /nfs/dbraw/zinc/47/57/89/419475789.db2.gz RZLKBPALEHSAPG-WDEREUQCSA-N 2 2 278.360 -0.202 20 0 CBADLP Cc1nc(N2CC[C@@H](C[NH+]3CCOCC3)C2)nc(N)[nH+]1 ZINC000631130982 419475954 /nfs/dbraw/zinc/47/59/54/419475954.db2.gz PFSWRSVAEQVHSI-NSHDSACASA-N 2 2 278.360 -0.079 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[N@H+](C)CCC[NH3+] ZINC000123332373 419491372 /nfs/dbraw/zinc/49/13/72/419491372.db2.gz XHIWPGRATDPYGM-UHFFFAOYSA-N 2 2 258.366 -0.748 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[N@@H+](C)CCC[NH3+] ZINC000123332373 419491380 /nfs/dbraw/zinc/49/13/80/419491380.db2.gz XHIWPGRATDPYGM-UHFFFAOYSA-N 2 2 258.366 -0.748 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNc1cc(-n2cccn2)nc(N)[nH+]1 ZINC000624621287 419421403 /nfs/dbraw/zinc/42/14/03/419421403.db2.gz YBOMXYWFIRHPBX-JTQLQIEISA-N 2 2 289.343 -0.013 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNc1cc(-n2cccn2)nc(N)[nH+]1 ZINC000624621287 419421411 /nfs/dbraw/zinc/42/14/11/419421411.db2.gz YBOMXYWFIRHPBX-JTQLQIEISA-N 2 2 289.343 -0.013 20 0 CBADLP C[C@@H](O)CNc1cc(NCC[N@@H+]2CC[C@@H](O)C2)nc[nH+]1 ZINC000624677406 419422890 /nfs/dbraw/zinc/42/28/90/419422890.db2.gz GZAOJSDKFRKAFP-GHMZBOCLSA-N 2 2 281.360 -0.252 20 0 CBADLP C[C@@H](O)CNc1cc(NCC[N@H+]2CC[C@@H](O)C2)nc[nH+]1 ZINC000624677406 419422898 /nfs/dbraw/zinc/42/28/98/419422898.db2.gz GZAOJSDKFRKAFP-GHMZBOCLSA-N 2 2 281.360 -0.252 20 0 CBADLP O=C([C@@H]1C[NH2+]CCO1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000043798913 419428435 /nfs/dbraw/zinc/42/84/35/419428435.db2.gz GXFAHKGKGWQKHG-AWEZNQCLSA-N 2 2 290.367 -0.286 20 0 CBADLP O[C@H](C[NH2+]CCCCn1cc[nH+]c1)CN1CCOCC1 ZINC000045107063 419433911 /nfs/dbraw/zinc/43/39/11/419433911.db2.gz YCMPQRJEEAPCPV-CQSZACIVSA-N 2 2 282.388 -0.054 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N(C)CC1C[NH+](C)C1 ZINC000660856299 419451461 /nfs/dbraw/zinc/45/14/61/419451461.db2.gz IAEFTWGLGBWSAN-LBPRGKRZSA-N 2 2 284.404 -0.090 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)N(C)CC1C[NH+](C)C1 ZINC000660856299 419451467 /nfs/dbraw/zinc/45/14/67/419451467.db2.gz IAEFTWGLGBWSAN-LBPRGKRZSA-N 2 2 284.404 -0.090 20 0 CBADLP COc1c(N)[nH+]cnc1NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000629380375 419459743 /nfs/dbraw/zinc/45/97/43/419459743.db2.gz NMZSMTCQCYUGBE-UHFFFAOYSA-N 2 2 277.288 -0.366 20 0 CBADLP CN1CC[N@H+](C)[C@H](CNC(=O)CCC(C)(C)[NH3+])C1 ZINC000070088566 419466078 /nfs/dbraw/zinc/46/60/78/419466078.db2.gz RYMJIRXSDDWGNK-LLVKDONJSA-N 2 2 256.394 -0.134 20 0 CBADLP CN1CC[N@@H+](C)[C@H](CNC(=O)CCC(C)(C)[NH3+])C1 ZINC000070088566 419466084 /nfs/dbraw/zinc/46/60/84/419466084.db2.gz RYMJIRXSDDWGNK-LLVKDONJSA-N 2 2 256.394 -0.134 20 0 CBADLP Cc1nc(N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)nc(N)[nH+]1 ZINC000631215327 419469953 /nfs/dbraw/zinc/46/99/53/419469953.db2.gz QSQOWPRDRLWGEY-RKDXNWHRSA-N 2 2 266.349 -0.346 20 0 CBADLP Cc1nc(N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)nc(N)[nH+]1 ZINC000631215327 419469962 /nfs/dbraw/zinc/46/99/62/419469962.db2.gz QSQOWPRDRLWGEY-RKDXNWHRSA-N 2 2 266.349 -0.346 20 0 CBADLP Cc1nc(N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)nc(N)[nH+]1 ZINC000631098746 419470704 /nfs/dbraw/zinc/47/07/04/419470704.db2.gz RZLKBPALEHSAPG-MNOVXSKESA-N 2 2 278.360 -0.202 20 0 CBADLP Cc1nc(N2CC[NH+](C[C@@H](C)O)CC2)nc(N)[nH+]1 ZINC000631099014 419472505 /nfs/dbraw/zinc/47/25/05/419472505.db2.gz UFFGMLZERKCYIU-MRVPVSSYSA-N 2 2 252.322 -0.735 20 0 CBADLP CN1CC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)CCC1=O ZINC000661805394 419528323 /nfs/dbraw/zinc/52/83/23/419528323.db2.gz HXBOETWXNZDZSR-LBPRGKRZSA-N 2 2 255.362 -0.394 20 0 CBADLP CN1CC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)CCC1=O ZINC000661805394 419528329 /nfs/dbraw/zinc/52/83/29/419528329.db2.gz HXBOETWXNZDZSR-LBPRGKRZSA-N 2 2 255.362 -0.394 20 0 CBADLP CN1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)CCC1=O ZINC000661805394 419528334 /nfs/dbraw/zinc/52/83/34/419528334.db2.gz HXBOETWXNZDZSR-LBPRGKRZSA-N 2 2 255.362 -0.394 20 0 CBADLP CN1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)CCC1=O ZINC000661805394 419528341 /nfs/dbraw/zinc/52/83/41/419528341.db2.gz HXBOETWXNZDZSR-LBPRGKRZSA-N 2 2 255.362 -0.394 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2C[C@@H](O)C23CCC3)CC1 ZINC000661844202 419531392 /nfs/dbraw/zinc/53/13/92/419531392.db2.gz VACXCZQYOGJDFA-VXGBXAGGSA-N 2 2 267.373 -0.347 20 0 CBADLP Cc1cc(NCCNC(=O)C2(O)C[NH2+]C2)nc(C(C)C)[nH+]1 ZINC000638583677 419531804 /nfs/dbraw/zinc/53/18/04/419531804.db2.gz DHFMLNALWQGQBM-UHFFFAOYSA-N 2 2 293.371 -0.229 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](c2nnc(N)o2)C1 ZINC000639820939 419538831 /nfs/dbraw/zinc/53/88/31/419538831.db2.gz FQEOAGJZKFRXEF-WDEREUQCSA-N 2 2 283.376 0.144 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](c2nnc(N)o2)C1 ZINC000639820939 419538838 /nfs/dbraw/zinc/53/88/38/419538838.db2.gz FQEOAGJZKFRXEF-WDEREUQCSA-N 2 2 283.376 0.144 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](c2nnc(N)o2)C1 ZINC000639820939 419538844 /nfs/dbraw/zinc/53/88/44/419538844.db2.gz FQEOAGJZKFRXEF-WDEREUQCSA-N 2 2 283.376 0.144 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](c2nnc(N)o2)C1 ZINC000639820939 419538849 /nfs/dbraw/zinc/53/88/49/419538849.db2.gz FQEOAGJZKFRXEF-WDEREUQCSA-N 2 2 283.376 0.144 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000662008485 419540431 /nfs/dbraw/zinc/54/04/31/419540431.db2.gz NQWMEBUPMJJGIF-OLZOCXBDSA-N 2 2 286.420 -0.013 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000662008485 419540438 /nfs/dbraw/zinc/54/04/38/419540438.db2.gz NQWMEBUPMJJGIF-OLZOCXBDSA-N 2 2 286.420 -0.013 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000662008485 419540447 /nfs/dbraw/zinc/54/04/47/419540447.db2.gz NQWMEBUPMJJGIF-OLZOCXBDSA-N 2 2 286.420 -0.013 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000662008485 419540451 /nfs/dbraw/zinc/54/04/51/419540451.db2.gz NQWMEBUPMJJGIF-OLZOCXBDSA-N 2 2 286.420 -0.013 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)CC1 ZINC000662034083 419541809 /nfs/dbraw/zinc/54/18/09/419541809.db2.gz AWAWWUBMNQVUSK-OLZOCXBDSA-N 2 2 267.373 -0.271 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H]3COC[C@@H]3C2)CC1 ZINC000662034083 419541812 /nfs/dbraw/zinc/54/18/12/419541812.db2.gz AWAWWUBMNQVUSK-OLZOCXBDSA-N 2 2 267.373 -0.271 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](N(C)C(=O)N(C)C)C1 ZINC000662008487 419541975 /nfs/dbraw/zinc/54/19/75/419541975.db2.gz NQWMEBUPMJJGIF-STQMWFEESA-N 2 2 286.420 -0.013 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](N(C)C(=O)N(C)C)C1 ZINC000662008487 419541980 /nfs/dbraw/zinc/54/19/80/419541980.db2.gz NQWMEBUPMJJGIF-STQMWFEESA-N 2 2 286.420 -0.013 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](N(C)C(=O)N(C)C)C1 ZINC000662008487 419541985 /nfs/dbraw/zinc/54/19/85/419541985.db2.gz NQWMEBUPMJJGIF-STQMWFEESA-N 2 2 286.420 -0.013 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](N(C)C(=O)N(C)C)C1 ZINC000662008487 419541989 /nfs/dbraw/zinc/54/19/89/419541989.db2.gz NQWMEBUPMJJGIF-STQMWFEESA-N 2 2 286.420 -0.013 20 0 CBADLP C[C@@H](C(=O)N(C)C)[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662157885 419550948 /nfs/dbraw/zinc/55/09/48/419550948.db2.gz SQRCIQQJWYPWQB-WCQYABFASA-N 2 2 269.389 -0.006 20 0 CBADLP C[C@@H](C(=O)N(C)C)[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662157885 419550954 /nfs/dbraw/zinc/55/09/54/419550954.db2.gz SQRCIQQJWYPWQB-WCQYABFASA-N 2 2 269.389 -0.006 20 0 CBADLP CN1CC[C@H]([NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)C1=O ZINC000662158344 419553898 /nfs/dbraw/zinc/55/38/98/419553898.db2.gz RJGNEJUXQXRQFZ-STQMWFEESA-N 2 2 267.373 -0.252 20 0 CBADLP CN1CC[C@H]([NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)C1=O ZINC000662158344 419553906 /nfs/dbraw/zinc/55/39/06/419553906.db2.gz RJGNEJUXQXRQFZ-STQMWFEESA-N 2 2 267.373 -0.252 20 0 CBADLP CCc1cc(NC[C@@]2(CO)COCC[NH2+]2)nc(C)[nH+]1 ZINC000641690754 419557175 /nfs/dbraw/zinc/55/71/75/419557175.db2.gz ZNPPVIGLQJSEDC-CYBMUJFWSA-N 2 2 266.345 0.110 20 0 CBADLP O=C([C@@H]1CCC[N@H+](C[C@H]2C[NH2+]CCO2)C1)N1CC[NH2+]CC1 ZINC000662243513 419557813 /nfs/dbraw/zinc/55/78/13/419557813.db2.gz MKUZDCKRDNITRL-ZIAGYGMSSA-N 3 2 296.415 -0.881 20 0 CBADLP O=C([C@@H]1CCC[N@@H+](C[C@H]2C[NH2+]CCO2)C1)N1CC[NH2+]CC1 ZINC000662243513 419557822 /nfs/dbraw/zinc/55/78/22/419557822.db2.gz MKUZDCKRDNITRL-ZIAGYGMSSA-N 3 2 296.415 -0.881 20 0 CBADLP Cc1cc(NC[C@@]2(CO)COCC[NH2+]2)nc(C2CC2)[nH+]1 ZINC000641690514 419557728 /nfs/dbraw/zinc/55/77/28/419557728.db2.gz YEOCRFPQAWKGHD-CQSZACIVSA-N 2 2 278.356 0.425 20 0 CBADLP CCC[N@@H+]1CC[C@H](NC[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000389556243 544577474 /nfs/dbraw/zinc/57/74/74/544577474.db2.gz RPLCUFAKTBGHCT-UONOGXRCSA-N 2 2 271.405 -0.247 20 0 CBADLP CCC[N@H+]1CC[C@H](NC[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000389556243 544577477 /nfs/dbraw/zinc/57/74/77/544577477.db2.gz RPLCUFAKTBGHCT-UONOGXRCSA-N 2 2 271.405 -0.247 20 0 CBADLP [NH3+]CCCOC1CC[NH+](C[C@@H]2C[NH2+]CCO2)CC1 ZINC000662247676 419561155 /nfs/dbraw/zinc/56/11/55/419561155.db2.gz JAMURTLVLKQPIB-ZDUSSCGKSA-N 3 2 257.378 -0.195 20 0 CBADLP Cn1cc(C[NH+]2CCN(C[C@@H]3C[NH2+]CCO3)CC2)cn1 ZINC000662262541 419568908 /nfs/dbraw/zinc/56/89/08/419568908.db2.gz HIFRVZAETJVENJ-AWEZNQCLSA-N 2 2 279.388 -0.474 20 0 CBADLP COC[C@@H](C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)OC ZINC000662266709 419565693 /nfs/dbraw/zinc/56/56/93/419565693.db2.gz LGNJXDMABGZFTI-QWHCGFSZSA-N 2 2 285.388 -0.456 20 0 CBADLP COC[C@@H](C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)OC ZINC000662266709 419565697 /nfs/dbraw/zinc/56/56/97/419565697.db2.gz LGNJXDMABGZFTI-QWHCGFSZSA-N 2 2 285.388 -0.456 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000661596650 419503626 /nfs/dbraw/zinc/50/36/26/419503626.db2.gz KALCVFJHBSTBPT-MELADBBJSA-N 2 2 299.415 -0.474 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000661596650 419503635 /nfs/dbraw/zinc/50/36/35/419503635.db2.gz KALCVFJHBSTBPT-MELADBBJSA-N 2 2 299.415 -0.474 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000661596650 419503639 /nfs/dbraw/zinc/50/36/39/419503639.db2.gz KALCVFJHBSTBPT-MELADBBJSA-N 2 2 299.415 -0.474 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000661596650 419503647 /nfs/dbraw/zinc/50/36/47/419503647.db2.gz KALCVFJHBSTBPT-MELADBBJSA-N 2 2 299.415 -0.474 20 0 CBADLP Cc1cn2c([nH+]1)CC[C@H](NC(=O)[C@@H]1COCC[NH2+]1)C2 ZINC000167152443 419503920 /nfs/dbraw/zinc/50/39/20/419503920.db2.gz AWANSRLZFYRACZ-QWRGUYRKSA-N 2 2 264.329 -0.389 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000176570791 419505177 /nfs/dbraw/zinc/50/51/77/419505177.db2.gz KEBPNFJMCRSEBZ-ZDUSSCGKSA-N 2 2 287.404 -0.522 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000176570791 419505184 /nfs/dbraw/zinc/50/51/84/419505184.db2.gz KEBPNFJMCRSEBZ-ZDUSSCGKSA-N 2 2 287.404 -0.522 20 0 CBADLP C[NH+](C[C@H](O)C[N@@H+](C)C[C@H]1COCCO1)C1CC1 ZINC000661612951 419507933 /nfs/dbraw/zinc/50/79/33/419507933.db2.gz DYWJOSZUCNFWFV-OLZOCXBDSA-N 2 2 258.362 -0.211 20 0 CBADLP C[NH+](C[C@H](O)C[N@H+](C)C[C@H]1COCCO1)C1CC1 ZINC000661612951 419507944 /nfs/dbraw/zinc/50/79/44/419507944.db2.gz DYWJOSZUCNFWFV-OLZOCXBDSA-N 2 2 258.362 -0.211 20 0 CBADLP C[NH+](C[C@@H](O)C[N@H+](C)C1CC1)C[C@H]1COCCO1 ZINC000661612951 419507955 /nfs/dbraw/zinc/50/79/55/419507955.db2.gz DYWJOSZUCNFWFV-OLZOCXBDSA-N 2 2 258.362 -0.211 20 0 CBADLP C[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)C[C@H]1COCCO1 ZINC000661612951 419507962 /nfs/dbraw/zinc/50/79/62/419507962.db2.gz DYWJOSZUCNFWFV-OLZOCXBDSA-N 2 2 258.362 -0.211 20 0 CBADLP C[C@@H]1C[N@H+](CCc2c[nH+]cn2C)CCN1S(C)(=O)=O ZINC000661680384 419512787 /nfs/dbraw/zinc/51/27/87/419512787.db2.gz FLLFPPJADHHBDN-LLVKDONJSA-N 2 2 286.401 -0.072 20 0 CBADLP C[C@@H]1C[N@@H+](CCc2c[nH+]cn2C)CCN1S(C)(=O)=O ZINC000661680384 419512795 /nfs/dbraw/zinc/51/27/95/419512795.db2.gz FLLFPPJADHHBDN-LLVKDONJSA-N 2 2 286.401 -0.072 20 0 CBADLP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](C)CC2)C1 ZINC000661662887 419514017 /nfs/dbraw/zinc/51/40/17/419514017.db2.gz CTLHJURSUPSFAT-CYBMUJFWSA-N 2 2 296.415 -0.251 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000661700340 419516169 /nfs/dbraw/zinc/51/61/69/419516169.db2.gz GCHNIRDVPIKMEB-HZSPNIEDSA-N 2 2 272.389 -0.106 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000661700340 419516176 /nfs/dbraw/zinc/51/61/76/419516176.db2.gz GCHNIRDVPIKMEB-HZSPNIEDSA-N 2 2 272.389 -0.106 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000661700340 419516182 /nfs/dbraw/zinc/51/61/82/419516182.db2.gz GCHNIRDVPIKMEB-HZSPNIEDSA-N 2 2 272.389 -0.106 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000661700340 419516190 /nfs/dbraw/zinc/51/61/90/419516190.db2.gz GCHNIRDVPIKMEB-HZSPNIEDSA-N 2 2 272.389 -0.106 20 0 CBADLP COC[C@@H](C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)OC ZINC000662266705 419569404 /nfs/dbraw/zinc/56/94/04/419569404.db2.gz LGNJXDMABGZFTI-CHWSQXEVSA-N 2 2 285.388 -0.456 20 0 CBADLP COC[C@@H](C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)OC ZINC000662266705 419569413 /nfs/dbraw/zinc/56/94/13/419569413.db2.gz LGNJXDMABGZFTI-CHWSQXEVSA-N 2 2 285.388 -0.456 20 0 CBADLP CCN1CC[C@@H]([N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1=O ZINC000662266777 419570398 /nfs/dbraw/zinc/57/03/98/419570398.db2.gz MHWDDKLUAZEBLL-CHWSQXEVSA-N 2 2 294.399 -0.497 20 0 CBADLP CCN1CC[C@@H]([N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1=O ZINC000662266777 419570406 /nfs/dbraw/zinc/57/04/06/419570406.db2.gz MHWDDKLUAZEBLL-CHWSQXEVSA-N 2 2 294.399 -0.497 20 0 CBADLP CC[C@H](C)NC(=O)C[NH+]1CCN(C[C@H]2C[NH2+]CCO2)CC1 ZINC000662276638 419572740 /nfs/dbraw/zinc/57/27/40/419572740.db2.gz KRDBXFJEDPJFCF-UONOGXRCSA-N 2 2 298.431 -0.493 20 0 CBADLP c1cn([C@@H]2CCC[N@@H+](C[C@H]3C[NH2+]CCO3)C2)nn1 ZINC000662282039 419574055 /nfs/dbraw/zinc/57/40/55/419574055.db2.gz BJJKBLKYBJVURQ-VXGBXAGGSA-N 2 2 251.334 -0.097 20 0 CBADLP c1cn([C@@H]2CCC[N@H+](C[C@H]3C[NH2+]CCO3)C2)nn1 ZINC000662282039 419574058 /nfs/dbraw/zinc/57/40/58/419574058.db2.gz BJJKBLKYBJVURQ-VXGBXAGGSA-N 2 2 251.334 -0.097 20 0 CBADLP CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662285282 419575050 /nfs/dbraw/zinc/57/50/50/419575050.db2.gz ITBJDNQMNWFFPH-GXSJLCMTSA-N 2 2 295.305 -0.025 20 0 CBADLP Cn1cc[nH+]c1CN1CCN(C[C@H]2C[NH2+]CCO2)CC1 ZINC000662276741 419575825 /nfs/dbraw/zinc/57/58/25/419575825.db2.gz LYMMOBLWCOPTHT-CYBMUJFWSA-N 2 2 279.388 -0.474 20 0 CBADLP CN(CC(F)(F)F)C(=O)C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000662286824 419576366 /nfs/dbraw/zinc/57/63/66/419576366.db2.gz MOIWYSPDWOLFKC-UHFFFAOYSA-N 2 2 283.294 -0.289 20 0 CBADLP [NH3+]CC[N@H+](CCC(=O)Nc1cccc(F)c1)C[C@@H](O)CO ZINC000662288569 419577026 /nfs/dbraw/zinc/57/70/26/419577026.db2.gz QHEVWXYGTFKZLV-CYBMUJFWSA-N 2 2 299.346 -0.232 20 0 CBADLP [NH3+]CC[N@@H+](CCC(=O)Nc1cccc(F)c1)C[C@@H](O)CO ZINC000662288569 419577033 /nfs/dbraw/zinc/57/70/33/419577033.db2.gz QHEVWXYGTFKZLV-CYBMUJFWSA-N 2 2 299.346 -0.232 20 0 CBADLP Cc1cccc2[nH+]c(CN(CC[NH3+])C[C@@H](O)CO)cn21 ZINC000662287555 419577137 /nfs/dbraw/zinc/57/71/37/419577137.db2.gz CNDQOKZZQVYACA-CYBMUJFWSA-N 2 2 278.356 -0.243 20 0 CBADLP CN(CC[N@H+](CC[NH3+])C[C@@H](O)CO)c1ccccc1 ZINC000662287550 419577398 /nfs/dbraw/zinc/57/73/98/419577398.db2.gz CGZWQLIXYPUBIE-CQSZACIVSA-N 2 2 267.373 -0.263 20 0 CBADLP CN(CC[N@@H+](CC[NH3+])C[C@@H](O)CO)c1ccccc1 ZINC000662287550 419577401 /nfs/dbraw/zinc/57/74/01/419577401.db2.gz CGZWQLIXYPUBIE-CQSZACIVSA-N 2 2 267.373 -0.263 20 0 CBADLP COc1ccc(CC[N@H+](CC[NH3+])C[C@@H](O)CO)cc1 ZINC000662288375 419577471 /nfs/dbraw/zinc/57/74/71/419577471.db2.gz GRTJXUPEOUWIDF-CYBMUJFWSA-N 2 2 268.357 -0.148 20 0 CBADLP COc1ccc(CC[N@@H+](CC[NH3+])C[C@@H](O)CO)cc1 ZINC000662288375 419577478 /nfs/dbraw/zinc/57/74/78/419577478.db2.gz GRTJXUPEOUWIDF-CYBMUJFWSA-N 2 2 268.357 -0.148 20 0 CBADLP [NH3+]CC[N@H+](CCCc1ccncc1)C[C@@H](O)CO ZINC000662288932 419582081 /nfs/dbraw/zinc/58/20/81/419582081.db2.gz VOMKDQRMYGWUKK-CYBMUJFWSA-N 2 2 253.346 -0.372 20 0 CBADLP [NH3+]CC[N@@H+](CCCc1ccncc1)C[C@@H](O)CO ZINC000662288932 419582086 /nfs/dbraw/zinc/58/20/86/419582086.db2.gz VOMKDQRMYGWUKK-CYBMUJFWSA-N 2 2 253.346 -0.372 20 0 CBADLP C[C@@H]([NH3+])CCC(=O)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000394382976 544581690 /nfs/dbraw/zinc/58/16/90/544581690.db2.gz UZRFZAGICKLTSV-NEPJUHHUSA-N 2 2 254.378 -0.380 20 0 CBADLP C[C@@H]([NH3+])CCC(=O)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000394382976 544581693 /nfs/dbraw/zinc/58/16/93/544581693.db2.gz UZRFZAGICKLTSV-NEPJUHHUSA-N 2 2 254.378 -0.380 20 0 CBADLP C[C@H]([NH3+])CCC(=O)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000394382979 544581962 /nfs/dbraw/zinc/58/19/62/544581962.db2.gz UZRFZAGICKLTSV-RYUDHWBXSA-N 2 2 254.378 -0.380 20 0 CBADLP C[C@H]([NH3+])CCC(=O)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000394382979 544581965 /nfs/dbraw/zinc/58/19/65/544581965.db2.gz UZRFZAGICKLTSV-RYUDHWBXSA-N 2 2 254.378 -0.380 20 0 CBADLP C[NH+](C)CCC[C@H]1C[N@H+](CC(=O)N2CCOCC2)CCO1 ZINC000662316138 419585034 /nfs/dbraw/zinc/58/50/34/419585034.db2.gz IVVGAWRDAATQRH-AWEZNQCLSA-N 2 2 299.415 -0.112 20 0 CBADLP C[NH+](C)CCC[C@H]1C[N@@H+](CC(=O)N2CCOCC2)CCO1 ZINC000662316138 419585042 /nfs/dbraw/zinc/58/50/42/419585042.db2.gz IVVGAWRDAATQRH-AWEZNQCLSA-N 2 2 299.415 -0.112 20 0 CBADLP CN(C)C(=O)N(C)[C@H]1CC[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662314714 419585447 /nfs/dbraw/zinc/58/54/47/419585447.db2.gz BDVAKCXBVIEMIG-NWDGAFQWSA-N 2 2 270.377 -0.338 20 0 CBADLP CN(C)C(=O)N(C)[C@H]1CC[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662314714 419585451 /nfs/dbraw/zinc/58/54/51/419585451.db2.gz BDVAKCXBVIEMIG-NWDGAFQWSA-N 2 2 270.377 -0.338 20 0 CBADLP C[NH+](C)CCC[C@@H]1C[N@H+](CC(=O)N2CCOCC2)CCO1 ZINC000662316139 419585928 /nfs/dbraw/zinc/58/59/28/419585928.db2.gz IVVGAWRDAATQRH-CQSZACIVSA-N 2 2 299.415 -0.112 20 0 CBADLP C[NH+](C)CCC[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)CCO1 ZINC000662316139 419585937 /nfs/dbraw/zinc/58/59/37/419585937.db2.gz IVVGAWRDAATQRH-CQSZACIVSA-N 2 2 299.415 -0.112 20 0 CBADLP CC(C)OC[C@H]([NH3+])C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000662387929 419591060 /nfs/dbraw/zinc/59/10/60/419591060.db2.gz NFRCDEQKPKRKDM-RYUDHWBXSA-N 2 2 273.377 -0.424 20 0 CBADLP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@H]([NH3+])C2)C1 ZINC000647482262 419592191 /nfs/dbraw/zinc/59/21/91/419592191.db2.gz RFXWWTOYCUAWOB-VXGBXAGGSA-N 3 2 254.378 -0.393 20 0 CBADLP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CCC[C@@H]([NH3+])C2)C1 ZINC000647482262 419592197 /nfs/dbraw/zinc/59/21/97/419592197.db2.gz RFXWWTOYCUAWOB-VXGBXAGGSA-N 3 2 254.378 -0.393 20 0 CBADLP C[C@@H]1C[N@H+](Cc2cc(=O)n(C)c(=O)n2C)CC[C@H]1[NH3+] ZINC000251739183 419596524 /nfs/dbraw/zinc/59/65/24/419596524.db2.gz KTECFAADHGMRHM-MWLCHTKSSA-N 2 2 266.345 -0.747 20 0 CBADLP C[C@@H]1C[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)CC[C@H]1[NH3+] ZINC000251739183 419596535 /nfs/dbraw/zinc/59/65/35/419596535.db2.gz KTECFAADHGMRHM-MWLCHTKSSA-N 2 2 266.345 -0.747 20 0 CBADLP C[C@]1(C[N@@H+]2CCC[C@@H](NS(C)(=O)=O)C2)CC[NH2+]C1 ZINC000647513832 419597750 /nfs/dbraw/zinc/59/77/50/419597750.db2.gz IRCKIIZITOACHE-NEPJUHHUSA-N 2 2 275.418 0.000 20 0 CBADLP C[C@]1(C[N@H+]2CCC[C@@H](NS(C)(=O)=O)C2)CC[NH2+]C1 ZINC000647513832 419597756 /nfs/dbraw/zinc/59/77/56/419597756.db2.gz IRCKIIZITOACHE-NEPJUHHUSA-N 2 2 275.418 0.000 20 0 CBADLP CS(=O)(=O)N[C@@H]1CCC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000647513805 419599577 /nfs/dbraw/zinc/59/95/77/419599577.db2.gz GBZYBVQPBKVGBW-VXGBXAGGSA-N 2 2 275.418 0.000 20 0 CBADLP CS(=O)(=O)N[C@@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000647513805 419599583 /nfs/dbraw/zinc/59/95/83/419599583.db2.gz GBZYBVQPBKVGBW-VXGBXAGGSA-N 2 2 275.418 0.000 20 0 CBADLP [NH3+]C1(CC(=O)NC[C@H]2CN3CC[N@@H+]2CCC3)CC1 ZINC000398073110 544583720 /nfs/dbraw/zinc/58/37/20/544583720.db2.gz JUQNSVLIFQVDKX-NSHDSACASA-N 2 2 252.362 -0.626 20 0 CBADLP [NH3+]C1(CC(=O)NC[C@H]2CN3CC[N@H+]2CCC3)CC1 ZINC000398073110 544583725 /nfs/dbraw/zinc/58/37/25/544583725.db2.gz JUQNSVLIFQVDKX-NSHDSACASA-N 2 2 252.362 -0.626 20 0 CBADLP CCOCCOCCCC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000662428946 419601130 /nfs/dbraw/zinc/60/11/30/419601130.db2.gz LPXWXRQZYNUNNQ-ZDUSSCGKSA-N 2 2 287.404 -0.079 20 0 CBADLP CCOCCOCCCC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000662428946 419601134 /nfs/dbraw/zinc/60/11/34/419601134.db2.gz LPXWXRQZYNUNNQ-ZDUSSCGKSA-N 2 2 287.404 -0.079 20 0 CBADLP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CCCN(CCO)C1=O)C1CC1 ZINC000647531708 419601150 /nfs/dbraw/zinc/60/11/50/419601150.db2.gz URPRSZYKFBWXCF-CHWSQXEVSA-N 2 2 285.388 -0.986 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CCCN(CCO)C1=O)C1CC1 ZINC000647531708 419601157 /nfs/dbraw/zinc/60/11/57/419601157.db2.gz URPRSZYKFBWXCF-CHWSQXEVSA-N 2 2 285.388 -0.986 20 0 CBADLP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CC[C@@H]3CC[NH2+][C@H]3C2)C1 ZINC000647534024 419601613 /nfs/dbraw/zinc/60/16/13/419601613.db2.gz DREBDJNWPWKAAV-RDBSUJKOSA-N 3 2 280.416 -0.133 20 0 CBADLP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CC[C@@H]3CC[NH2+][C@H]3C2)C1 ZINC000647534024 419601619 /nfs/dbraw/zinc/60/16/19/419601619.db2.gz DREBDJNWPWKAAV-RDBSUJKOSA-N 3 2 280.416 -0.133 20 0 CBADLP Cc1cc(CC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])on1 ZINC000662428626 419601853 /nfs/dbraw/zinc/60/18/53/419601853.db2.gz LDZARLYHSCEBQU-JTQLQIEISA-N 2 2 252.318 -0.373 20 0 CBADLP Cc1cc(CC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])on1 ZINC000662428626 419601862 /nfs/dbraw/zinc/60/18/62/419601862.db2.gz LDZARLYHSCEBQU-JTQLQIEISA-N 2 2 252.318 -0.373 20 0 CBADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CC(=O)NCCO ZINC000647522414 419603464 /nfs/dbraw/zinc/60/34/64/419603464.db2.gz YTCVJCKEMAHUAY-AWEZNQCLSA-N 2 2 295.383 -0.823 20 0 CBADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CC(=O)NCCO ZINC000647522414 419603471 /nfs/dbraw/zinc/60/34/71/419603471.db2.gz YTCVJCKEMAHUAY-AWEZNQCLSA-N 2 2 295.383 -0.823 20 0 CBADLP CCCN(C(=O)C(=O)N1CC[NH+](C)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000647568858 419611062 /nfs/dbraw/zinc/61/10/62/419611062.db2.gz VNJSQGAYFYOVCN-CYBMUJFWSA-N 2 2 296.415 -0.297 20 0 CBADLP CCCN(C(=O)C(=O)N1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000647568858 419611067 /nfs/dbraw/zinc/61/10/67/419611067.db2.gz VNJSQGAYFYOVCN-CYBMUJFWSA-N 2 2 296.415 -0.297 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@](CO)(OC)C1 ZINC000401791260 544585358 /nfs/dbraw/zinc/58/53/58/544585358.db2.gz HDLFYFMHVKCOCM-ZIAGYGMSSA-N 2 2 290.404 -0.601 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@](CO)(OC)C1 ZINC000401791260 544585361 /nfs/dbraw/zinc/58/53/61/544585361.db2.gz HDLFYFMHVKCOCM-ZIAGYGMSSA-N 2 2 290.404 -0.601 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@](CO)(OC)C1 ZINC000401791260 544585365 /nfs/dbraw/zinc/58/53/65/544585365.db2.gz HDLFYFMHVKCOCM-ZIAGYGMSSA-N 2 2 290.404 -0.601 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(NC(C)=O)CC1 ZINC000310952198 419618040 /nfs/dbraw/zinc/61/80/40/419618040.db2.gz ZASAKWXHTLKXEW-ZDUSSCGKSA-N 2 2 257.378 -0.101 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(NC(C)=O)CC1 ZINC000310952198 419618046 /nfs/dbraw/zinc/61/80/46/419618046.db2.gz ZASAKWXHTLKXEW-ZDUSSCGKSA-N 2 2 257.378 -0.101 20 0 CBADLP Cc1cn2c([nH+]1)CN(C(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+])CC2 ZINC000647597932 419618608 /nfs/dbraw/zinc/61/86/08/419618608.db2.gz ZTOZMYQTKIFSRR-ZJUUUORDSA-N 2 2 293.371 -0.224 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC(C)(O)CC1 ZINC000310934678 419620720 /nfs/dbraw/zinc/62/07/20/419620720.db2.gz VIBRZJGJAGLHKH-GFCCVEGCSA-N 2 2 260.378 -0.228 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(C)(O)CC1 ZINC000310934678 419620727 /nfs/dbraw/zinc/62/07/27/419620727.db2.gz VIBRZJGJAGLHKH-GFCCVEGCSA-N 2 2 260.378 -0.228 20 0 CBADLP C[C@@H]1C[NH+](CCN2CC[NH+](CCO)CC2)C[C@@H](C)O1 ZINC000314664296 419628797 /nfs/dbraw/zinc/62/87/97/419628797.db2.gz URNIYMGGGKUUIP-ZIAGYGMSSA-N 2 2 271.405 -0.295 20 0 CBADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)c1cn(CC[NH3+])nn1 ZINC000662635070 419663478 /nfs/dbraw/zinc/66/34/78/419663478.db2.gz UZNPRDOPBLMKBL-MNOVXSKESA-N 2 2 296.375 -0.924 20 0 CBADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1cn(CC[NH3+])nn1 ZINC000662635070 419663485 /nfs/dbraw/zinc/66/34/85/419663485.db2.gz UZNPRDOPBLMKBL-MNOVXSKESA-N 2 2 296.375 -0.924 20 0 CBADLP C[C@@H](C(=O)Nc1ncccn1)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647835152 419665632 /nfs/dbraw/zinc/66/56/32/419665632.db2.gz OQSJKATVFCGQKA-LBPRGKRZSA-N 2 2 292.387 -0.359 20 0 CBADLP C[C@@H](C(=O)Nc1ncccn1)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647835152 419665639 /nfs/dbraw/zinc/66/56/39/419665639.db2.gz OQSJKATVFCGQKA-LBPRGKRZSA-N 2 2 292.387 -0.359 20 0 CBADLP O=C(C[C@@H]1C[NH2+]CCO1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000662655816 419671102 /nfs/dbraw/zinc/67/11/02/419671102.db2.gz KXDYUEITIYMPBR-CHWSQXEVSA-N 2 2 283.372 -0.702 20 0 CBADLP O=C(CCn1cc[nH+]c1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000405409007 544589650 /nfs/dbraw/zinc/58/96/50/544589650.db2.gz MNFAVBZRHKLWCA-NWDGAFQWSA-N 2 2 264.329 -0.449 20 0 CBADLP O=C(CCn1cc[nH+]c1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000405409007 544589651 /nfs/dbraw/zinc/58/96/51/544589651.db2.gz MNFAVBZRHKLWCA-NWDGAFQWSA-N 2 2 264.329 -0.449 20 0 CBADLP O=C(N1CC[NH+]([C@H]2CCOC2)CC1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000662657207 419671517 /nfs/dbraw/zinc/67/15/17/419671517.db2.gz XTIXASVDMQPCKM-YDHLFZDLSA-N 2 2 295.383 -0.845 20 0 CBADLP O[C@H](CNc1nc[nH+]c2c1OCCN2)C[NH+]1CCCCC1 ZINC000647856764 419674388 /nfs/dbraw/zinc/67/43/88/419674388.db2.gz QDGIBBGQYCPHHN-LLVKDONJSA-N 2 2 293.371 0.540 20 0 CBADLP O[C@H](CNc1[nH+]cnc2c1OCCN2)C[NH+]1CCCCC1 ZINC000647856764 419674394 /nfs/dbraw/zinc/67/43/94/419674394.db2.gz QDGIBBGQYCPHHN-LLVKDONJSA-N 2 2 293.371 0.540 20 0 CBADLP C[C@H]([NH3+])[C@@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)CCO1 ZINC000647865686 419675964 /nfs/dbraw/zinc/67/59/64/419675964.db2.gz QDCHZQGCLIBTDQ-STQMWFEESA-N 3 2 284.404 -0.802 20 0 CBADLP C[C@H]([NH3+])[C@@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)CCO1 ZINC000647865686 419675972 /nfs/dbraw/zinc/67/59/72/419675972.db2.gz QDCHZQGCLIBTDQ-STQMWFEESA-N 3 2 284.404 -0.802 20 0 CBADLP C[C@@H]([NH3+])[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)CCO1 ZINC000647864430 419676901 /nfs/dbraw/zinc/67/69/01/419676901.db2.gz WFWGBCSOFHNNEN-PWSUYJOCSA-N 2 2 251.330 -0.067 20 0 CBADLP C[C@@H]([NH3+])[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)CCO1 ZINC000647864430 419676908 /nfs/dbraw/zinc/67/69/08/419676908.db2.gz WFWGBCSOFHNNEN-PWSUYJOCSA-N 2 2 251.330 -0.067 20 0 CBADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)CC2([NH3+])CC2)CC1 ZINC000662670462 419677076 /nfs/dbraw/zinc/67/70/76/419677076.db2.gz FSLQLFXEFQSNFK-LLVKDONJSA-N 2 2 294.399 -0.321 20 0 CBADLP C[C@H]([NH3+])[C@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)CCO1 ZINC000647865685 419677221 /nfs/dbraw/zinc/67/72/21/419677221.db2.gz QDCHZQGCLIBTDQ-QWHCGFSZSA-N 3 2 284.404 -0.802 20 0 CBADLP C[C@H]([NH3+])[C@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)CCO1 ZINC000647865685 419677224 /nfs/dbraw/zinc/67/72/24/419677224.db2.gz QDCHZQGCLIBTDQ-QWHCGFSZSA-N 3 2 284.404 -0.802 20 0 CBADLP C[C@@H]([NH3+])[C@H]1C[N@H+](Cc2ccn(C)c(=O)c2)CCO1 ZINC000647864431 419677356 /nfs/dbraw/zinc/67/73/56/419677356.db2.gz WFWGBCSOFHNNEN-ZYHUDNBSSA-N 2 2 251.330 -0.067 20 0 CBADLP C[C@@H]([NH3+])[C@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)CCO1 ZINC000647864431 419677361 /nfs/dbraw/zinc/67/73/61/419677361.db2.gz WFWGBCSOFHNNEN-ZYHUDNBSSA-N 2 2 251.330 -0.067 20 0 CBADLP C[C@H]([NH3+])[C@@H]1C[N@H+](CCCN2C(=O)NC(C)(C)C2=O)CCO1 ZINC000647864620 419677426 /nfs/dbraw/zinc/67/74/26/419677426.db2.gz YGICWFSMLCFRMX-QWRGUYRKSA-N 2 2 298.387 -0.245 20 0 CBADLP C[C@H]([NH3+])[C@@H]1C[N@@H+](CCCN2C(=O)NC(C)(C)C2=O)CCO1 ZINC000647864620 419677445 /nfs/dbraw/zinc/67/74/45/419677445.db2.gz YGICWFSMLCFRMX-QWRGUYRKSA-N 2 2 298.387 -0.245 20 0 CBADLP CC[C@H]([NH2+]C)C(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000662669982 419678151 /nfs/dbraw/zinc/67/81/51/419678151.db2.gz BLWOEIDRQMDJPO-AAEUAGOBSA-N 2 2 296.415 -0.204 20 0 CBADLP C[N@H+]1CCN(C(=O)[C@@H]2CCc3ncncc3C2)[C@@H](C[NH3+])C1 ZINC000647874200 419678754 /nfs/dbraw/zinc/67/87/54/419678754.db2.gz GUZYHLPWXAANBD-YPMHNXCESA-N 2 2 289.383 -0.317 20 0 CBADLP O=C([C@@H]1CCCO1)N1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000647872213 419680712 /nfs/dbraw/zinc/68/07/12/419680712.db2.gz HEPXLZIYGULBPI-STQMWFEESA-N 2 2 267.373 -0.081 20 0 CBADLP C[N@H+]1CCN(C(=O)[C@@H]2C[NH2+]CCC2(F)F)[C@H](C[NH3+])C1 ZINC000647874211 419680757 /nfs/dbraw/zinc/68/07/57/419680757.db2.gz IMHAKJVDTTXVLD-ZJUUUORDSA-N 3 2 276.331 -0.668 20 0 CBADLP C[C@@H]1[C@H](C(=O)N2CC[NH+](C)C[C@H]2C[NH3+])CC[N@@H+]1C ZINC000647874486 419681583 /nfs/dbraw/zinc/68/15/83/419681583.db2.gz ZSXAAOBIVIZQEM-IJLUTSLNSA-N 3 2 254.378 -0.572 20 0 CBADLP C[C@@H]1[C@H](C(=O)N2CC[NH+](C)C[C@H]2C[NH3+])CC[N@H+]1C ZINC000647874486 419681589 /nfs/dbraw/zinc/68/15/89/419681589.db2.gz ZSXAAOBIVIZQEM-IJLUTSLNSA-N 3 2 254.378 -0.572 20 0 CBADLP NC(=O)[C@@H]1c2ccccc2CC[N@H+]1CCN1CC[NH2+]CC1 ZINC000647882596 419682863 /nfs/dbraw/zinc/68/28/63/419682863.db2.gz ANFFIXTWGPZATC-HNNXBMFYSA-N 2 2 288.395 -0.024 20 0 CBADLP NC(=O)[C@@H]1c2ccccc2CC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000647882596 419682867 /nfs/dbraw/zinc/68/28/67/419682867.db2.gz ANFFIXTWGPZATC-HNNXBMFYSA-N 2 2 288.395 -0.024 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NCCC[NH+]1CCNC(=O)C1 ZINC000338139375 419688773 /nfs/dbraw/zinc/68/87/73/419688773.db2.gz LLHQLKYCXGHQIM-UHFFFAOYSA-N 2 2 270.377 -0.735 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NCCC[NH+]1CCNC(=O)C1 ZINC000338139375 419688782 /nfs/dbraw/zinc/68/87/82/419688782.db2.gz LLHQLKYCXGHQIM-UHFFFAOYSA-N 2 2 270.377 -0.735 20 0 CBADLP CC(C)[NH+](C)CC(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000338139375 419688787 /nfs/dbraw/zinc/68/87/87/419688787.db2.gz LLHQLKYCXGHQIM-UHFFFAOYSA-N 2 2 270.377 -0.735 20 0 CBADLP CC(C)[NH+](C)CC(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000338139375 419688790 /nfs/dbraw/zinc/68/87/90/419688790.db2.gz LLHQLKYCXGHQIM-UHFFFAOYSA-N 2 2 270.377 -0.735 20 0 CBADLP CC(=O)N1CCN(C(=O)[C@H](C)[NH+]2CCC(C)([NH3+])CC2)CC1 ZINC000647925628 419689910 /nfs/dbraw/zinc/68/99/10/419689910.db2.gz QPVXEJFLQSUROJ-LBPRGKRZSA-N 2 2 296.415 -0.121 20 0 CBADLP CC(=O)N1CCN(C(=O)C[NH+]2CCC(C)([NH3+])CC2)CC1 ZINC000647926982 419690459 /nfs/dbraw/zinc/69/04/59/419690459.db2.gz VEVYGOHRKUDNDB-UHFFFAOYSA-N 2 2 282.388 -0.510 20 0 CBADLP O=C(Nc1cccc(C[NH+]2CCOCC2)c1)C1(O)C[NH2+]C1 ZINC000662694211 419691230 /nfs/dbraw/zinc/69/12/30/419691230.db2.gz OEGOVFSHTHEQIE-UHFFFAOYSA-N 2 2 291.351 -0.208 20 0 CBADLP O=C([C@H]1CC[NH2+]1)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000662703869 419692293 /nfs/dbraw/zinc/69/22/93/419692293.db2.gz PINBZYJYMRBSOB-CYBMUJFWSA-N 2 2 267.373 -0.081 20 0 CBADLP C[NH2+]CCN(C)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000417429394 544590973 /nfs/dbraw/zinc/59/09/73/544590973.db2.gz VCZRGDDCEOQXGQ-UHFFFAOYSA-N 2 2 272.393 -0.042 20 0 CBADLP C[NH2+]CCN(C)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000417429394 544590977 /nfs/dbraw/zinc/59/09/77/544590977.db2.gz VCZRGDDCEOQXGQ-UHFFFAOYSA-N 2 2 272.393 -0.042 20 0 CBADLP C[NH2+]CCN(C)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000417525205 544591228 /nfs/dbraw/zinc/59/12/28/544591228.db2.gz TXYGLFXBLRCYCK-NEPJUHHUSA-N 2 2 272.393 -0.044 20 0 CBADLP C[NH2+]CCN(C)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000417525207 544591236 /nfs/dbraw/zinc/59/12/36/544591236.db2.gz TXYGLFXBLRCYCK-RYUDHWBXSA-N 2 2 272.393 -0.044 20 0 CBADLP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)CC(C)(CO)CO ZINC000647966794 419696560 /nfs/dbraw/zinc/69/65/60/419696560.db2.gz INUPFLXRJQELED-GFCCVEGCSA-N 2 2 262.394 -0.390 20 0 CBADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)CC(C)(CO)CO ZINC000647966794 419696570 /nfs/dbraw/zinc/69/65/70/419696570.db2.gz INUPFLXRJQELED-GFCCVEGCSA-N 2 2 262.394 -0.390 20 0 CBADLP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)CC(C)(CO)CO ZINC000647966794 419696577 /nfs/dbraw/zinc/69/65/77/419696577.db2.gz INUPFLXRJQELED-GFCCVEGCSA-N 2 2 262.394 -0.390 20 0 CBADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)CC(C)(CO)CO ZINC000647966794 419696583 /nfs/dbraw/zinc/69/65/83/419696583.db2.gz INUPFLXRJQELED-GFCCVEGCSA-N 2 2 262.394 -0.390 20 0 CBADLP CC(C)OC[C@H]([NH3+])C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000662717826 419697738 /nfs/dbraw/zinc/69/77/38/419697738.db2.gz RIOLLABXRCFTJY-MJBXVCDLSA-N 2 2 299.415 -0.204 20 0 CBADLP CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)C1(O)C[NH2+]C1 ZINC000662713670 419698693 /nfs/dbraw/zinc/69/86/93/419698693.db2.gz SHDZNOIXCGHQFS-UHFFFAOYSA-N 2 2 292.261 -0.262 20 0 CBADLP CCNS(=O)(=O)[C@@H]1CC[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647990952 419705681 /nfs/dbraw/zinc/70/56/81/419705681.db2.gz YWESQPBFJBISKN-WDEREUQCSA-N 2 2 261.391 -0.391 20 0 CBADLP CCNS(=O)(=O)[C@@H]1CC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647990952 419705690 /nfs/dbraw/zinc/70/56/90/419705690.db2.gz YWESQPBFJBISKN-WDEREUQCSA-N 2 2 261.391 -0.391 20 0 CBADLP C[C@H]1C(=O)N(CC[NH+](C)C)CN1Cc1c[nH+]cn1C ZINC000648064782 419715558 /nfs/dbraw/zinc/71/55/58/419715558.db2.gz LKEBSJBEIRENLY-NSHDSACASA-N 2 2 265.361 -0.028 20 0 CBADLP CN(Cc1c[nH+]c[nH]1)C(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000662584521 419648517 /nfs/dbraw/zinc/64/85/17/419648517.db2.gz CBMQTMWEGIOSMY-CABZTGNLSA-N 2 2 250.302 -0.396 20 0 CBADLP CN(Cc1c[nH]c[nH+]1)C(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000662584521 419648522 /nfs/dbraw/zinc/64/85/22/419648522.db2.gz CBMQTMWEGIOSMY-CABZTGNLSA-N 2 2 250.302 -0.396 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CC(F)(F)C[NH3+] ZINC000662632476 419656878 /nfs/dbraw/zinc/65/68/78/419656878.db2.gz QLPJYXBDQUJKCB-UHFFFAOYSA-N 3 2 280.363 -0.030 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CC(F)(F)C[NH3+] ZINC000662632476 419656882 /nfs/dbraw/zinc/65/68/82/419656882.db2.gz QLPJYXBDQUJKCB-UHFFFAOYSA-N 3 2 280.363 -0.030 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000662630391 419657434 /nfs/dbraw/zinc/65/74/34/419657434.db2.gz DGPPDRUWRJIFSK-ZFWWWQNUSA-N 3 2 298.431 -0.778 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000662630391 419657441 /nfs/dbraw/zinc/65/74/41/419657441.db2.gz DGPPDRUWRJIFSK-ZFWWWQNUSA-N 3 2 298.431 -0.778 20 0 CBADLP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000662632680 419657648 /nfs/dbraw/zinc/65/76/48/419657648.db2.gz SQYVUVDOSVAVSK-QWHCGFSZSA-N 3 2 270.421 -0.016 20 0 CBADLP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000662632680 419657655 /nfs/dbraw/zinc/65/76/55/419657655.db2.gz SQYVUVDOSVAVSK-QWHCGFSZSA-N 3 2 270.421 -0.016 20 0 CBADLP C[C@@H]([NH3+])[C@@H](C)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000662630596 419658201 /nfs/dbraw/zinc/65/82/01/419658201.db2.gz FZNKIVPESFTGII-VXGBXAGGSA-N 3 2 258.410 -0.031 20 0 CBADLP C[C@@H]([NH3+])[C@@H](C)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000662630596 419658210 /nfs/dbraw/zinc/65/82/10/419658210.db2.gz FZNKIVPESFTGII-VXGBXAGGSA-N 3 2 258.410 -0.031 20 0 CBADLP COCC[NH2+]CC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000662630689 419658330 /nfs/dbraw/zinc/65/83/30/419658330.db2.gz MOWGUHQXJXQCIP-RYUDHWBXSA-N 2 2 273.377 -0.552 20 0 CBADLP COCC[NH2+]CC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000662630689 419658335 /nfs/dbraw/zinc/65/83/35/419658335.db2.gz MOWGUHQXJXQCIP-RYUDHWBXSA-N 2 2 273.377 -0.552 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)C[C@@H]2C[NH2+]CCO2)[C@@H](C)CO1 ZINC000662632144 419658751 /nfs/dbraw/zinc/65/87/51/419658751.db2.gz XXVCQKINDSIYRJ-YNEHKIRRSA-N 2 2 285.388 -0.410 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)C[C@@H]2C[NH2+]CCO2)[C@@H](C)CO1 ZINC000662632144 419658758 /nfs/dbraw/zinc/65/87/58/419658758.db2.gz XXVCQKINDSIYRJ-YNEHKIRRSA-N 2 2 285.388 -0.410 20 0 CBADLP CN(C)c1nc(N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc[nH+]1 ZINC000405255194 544589007 /nfs/dbraw/zinc/58/90/07/544589007.db2.gz GAWLOINSNVWTDG-WDEREUQCSA-N 2 2 263.345 -0.202 20 0 CBADLP CN(C)c1nc(N2CC[N@H+]3C[C@H](O)C[C@H]3C2)cc[nH+]1 ZINC000405255194 544589011 /nfs/dbraw/zinc/58/90/11/544589011.db2.gz GAWLOINSNVWTDG-WDEREUQCSA-N 2 2 263.345 -0.202 20 0 CBADLP CC(C)[C@H]([NH3+])C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000662632604 419660136 /nfs/dbraw/zinc/66/01/36/419660136.db2.gz REDFSKUYLGOFGF-LBPRGKRZSA-N 3 2 258.410 -0.031 20 0 CBADLP CC(C)[C@H]([NH3+])C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000662632604 419660141 /nfs/dbraw/zinc/66/01/41/419660141.db2.gz REDFSKUYLGOFGF-LBPRGKRZSA-N 3 2 258.410 -0.031 20 0 CBADLP COC1(C(=O)NCC[N@@H+]2C[C@H](C)OC[C@H]2C)CC[NH2+]CC1 ZINC000662858754 419751619 /nfs/dbraw/zinc/75/16/19/419751619.db2.gz HVFBCMRGGICRFX-OLZOCXBDSA-N 2 2 299.415 -0.020 20 0 CBADLP COC1(C(=O)NCC[N@H+]2C[C@H](C)OC[C@H]2C)CC[NH2+]CC1 ZINC000662858754 419751636 /nfs/dbraw/zinc/75/16/36/419751636.db2.gz HVFBCMRGGICRFX-OLZOCXBDSA-N 2 2 299.415 -0.020 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1CSC[NH2+]1 ZINC000662858170 419751708 /nfs/dbraw/zinc/75/17/08/419751708.db2.gz VPFFUFKCKSXOBR-LLVKDONJSA-N 3 2 274.434 -0.351 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1CSC[NH2+]1 ZINC000662858170 419751714 /nfs/dbraw/zinc/75/17/14/419751714.db2.gz VPFFUFKCKSXOBR-LLVKDONJSA-N 3 2 274.434 -0.351 20 0 CBADLP CO[C@H]1C[NH2+][C@@H](C(=O)NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)C1 ZINC000662857929 419754218 /nfs/dbraw/zinc/75/42/18/419754218.db2.gz CZBOYENYWRXEHM-WUHRBBMRSA-N 2 2 285.388 -0.411 20 0 CBADLP CO[C@H]1C[NH2+][C@@H](C(=O)NCC[N@H+]2C[C@H](C)OC[C@@H]2C)C1 ZINC000662857929 419754224 /nfs/dbraw/zinc/75/42/24/419754224.db2.gz CZBOYENYWRXEHM-WUHRBBMRSA-N 2 2 285.388 -0.411 20 0 CBADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000662860692 419756719 /nfs/dbraw/zinc/75/67/19/419756719.db2.gz UFZCYJYYTLRNBL-KXNHARMFSA-N 2 2 255.362 -0.051 20 0 CBADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000662860692 419756724 /nfs/dbraw/zinc/75/67/24/419756724.db2.gz UFZCYJYYTLRNBL-KXNHARMFSA-N 2 2 255.362 -0.051 20 0 CBADLP CC[C@H]1C(=O)N(CC)CCN1C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000662871563 419756855 /nfs/dbraw/zinc/75/68/55/419756855.db2.gz QEUQNYKFWVVIEZ-NEPJUHHUSA-N 2 2 284.404 -0.265 20 0 CBADLP Cc1nc(N[C@H](CO)C[NH+]2CCCCC2)nc(N(C)C)[nH+]1 ZINC000346100656 419787119 /nfs/dbraw/zinc/78/71/19/419787119.db2.gz KBXOLGSLZWQYGE-LBPRGKRZSA-N 2 2 294.403 0.505 20 0 CBADLP Cc1nc(N2CCN(C(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)CC2)cc[nH+]1 ZINC000648157941 419764337 /nfs/dbraw/zinc/76/43/37/419764337.db2.gz XDMWWIVEGDAEQJ-IMRBUKKESA-N 2 2 287.367 -0.101 20 0 CBADLP O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)C1(O)C[NH2+]C1 ZINC000662914144 419772520 /nfs/dbraw/zinc/77/25/20/419772520.db2.gz XHVDAHOQMIPKNL-VXGBXAGGSA-N 2 2 295.383 -0.920 20 0 CBADLP CN(Cc1[nH+]ccn1C)C(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662923454 419777158 /nfs/dbraw/zinc/77/71/58/419777158.db2.gz VSIPYCDILUXLSN-NXEZZACHSA-N 2 2 297.334 -0.724 20 0 CBADLP C[C@H](NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)c1[nH+]ccn1C ZINC000662932800 419781317 /nfs/dbraw/zinc/78/13/17/419781317.db2.gz GFTXFFUDUXBVKY-QWRGUYRKSA-N 2 2 293.371 -0.144 20 0 CBADLP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1Cc1[nH+]ccn1C ZINC000648065183 419716603 /nfs/dbraw/zinc/71/66/03/419716603.db2.gz WWWKMNKJUPJGLR-LLVKDONJSA-N 2 2 265.361 -0.028 20 0 CBADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)CC2([NH3+])CC2)CC1 ZINC000662786998 419721897 /nfs/dbraw/zinc/72/18/97/419721897.db2.gz BQLJZBCQNGKYPL-UHFFFAOYSA-N 2 2 282.388 -0.462 20 0 CBADLP CCNC(=O)C[N@H+]1CCCN(C(=O)CC2([NH3+])CC2)CC1 ZINC000662786998 419721905 /nfs/dbraw/zinc/72/19/05/419721905.db2.gz BQLJZBCQNGKYPL-UHFFFAOYSA-N 2 2 282.388 -0.462 20 0 CBADLP CN(Cc1c[nH+]c[nH]1)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000662973387 419800877 /nfs/dbraw/zinc/80/08/77/419800877.db2.gz WVXDSGMXONKJHC-JQWIXIFHSA-N 2 2 291.355 -0.422 20 0 CBADLP CN(Cc1c[nH]c[nH+]1)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000662973387 419800883 /nfs/dbraw/zinc/80/08/83/419800883.db2.gz WVXDSGMXONKJHC-JQWIXIFHSA-N 2 2 291.355 -0.422 20 0 CBADLP Cc1cc(NCCC[N@@H+]2CCC[C@@H]2C(N)=O)nc[nH+]1 ZINC000352968221 419833719 /nfs/dbraw/zinc/83/37/19/419833719.db2.gz IHEPZFLWFSNXMF-LLVKDONJSA-N 2 2 263.345 0.537 20 0 CBADLP Cc1cc(NCCC[N@H+]2CCC[C@@H]2C(N)=O)nc[nH+]1 ZINC000352968221 419833725 /nfs/dbraw/zinc/83/37/25/419833725.db2.gz IHEPZFLWFSNXMF-LLVKDONJSA-N 2 2 263.345 0.537 20 0 CBADLP CCCN(C(=O)C(=O)N(C)Cc1c[nH+]c[nH]1)[C@H]1CC[NH2+]C1 ZINC000662949417 419790258 /nfs/dbraw/zinc/79/02/58/419790258.db2.gz VCUYSTXIQBBPGA-LBPRGKRZSA-N 2 2 293.371 -0.031 20 0 CBADLP CCCN(C(=O)C(=O)N(C)Cc1c[nH]c[nH+]1)[C@H]1CC[NH2+]C1 ZINC000662949417 419790262 /nfs/dbraw/zinc/79/02/62/419790262.db2.gz VCUYSTXIQBBPGA-LBPRGKRZSA-N 2 2 293.371 -0.031 20 0 CBADLP CC(C)[C@H]1CN(C(=O)C(=O)N(C)Cc2c[nH+]c[nH]2)CC[NH2+]1 ZINC000662957623 419792492 /nfs/dbraw/zinc/79/24/92/419792492.db2.gz YPUNUCQPLSXFPA-GFCCVEGCSA-N 2 2 293.371 -0.176 20 0 CBADLP CC(C)[C@H]1CN(C(=O)C(=O)N(C)Cc2c[nH]c[nH+]2)CC[NH2+]1 ZINC000662957623 419792500 /nfs/dbraw/zinc/79/25/00/419792500.db2.gz YPUNUCQPLSXFPA-GFCCVEGCSA-N 2 2 293.371 -0.176 20 0 CBADLP C[C@H]1CN(C(=O)C(=O)N(C)Cc2c[nH+]c[nH]2)[C@@H](C)C[NH2+]1 ZINC000662954174 419793341 /nfs/dbraw/zinc/79/33/41/419793341.db2.gz MGYZZBWSJZOCRU-UWVGGRQHSA-N 2 2 279.344 -0.423 20 0 CBADLP C[C@H]1CN(C(=O)C(=O)N(C)Cc2c[nH]c[nH+]2)[C@@H](C)C[NH2+]1 ZINC000662954174 419793347 /nfs/dbraw/zinc/79/33/47/419793347.db2.gz MGYZZBWSJZOCRU-UWVGGRQHSA-N 2 2 279.344 -0.423 20 0 CBADLP C[C@@H]([NH2+]C1CC1)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000649312511 419877747 /nfs/dbraw/zinc/87/77/47/419877747.db2.gz VVAIUFXWLPZGBB-GHMZBOCLSA-N 2 2 255.362 -0.036 20 0 CBADLP C[C@@H]([NH2+]C1CC1)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000649312511 419877751 /nfs/dbraw/zinc/87/77/51/419877751.db2.gz VVAIUFXWLPZGBB-GHMZBOCLSA-N 2 2 255.362 -0.036 20 0 CBADLP Cn1ncnc1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000664331052 419897665 /nfs/dbraw/zinc/89/76/65/419897665.db2.gz OAUBYUVSWFDADX-UHFFFAOYSA-N 2 2 268.365 -0.572 20 0 CBADLP Cn1ncnc1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000664331052 419897670 /nfs/dbraw/zinc/89/76/70/419897670.db2.gz OAUBYUVSWFDADX-UHFFFAOYSA-N 2 2 268.365 -0.572 20 0 CBADLP C[C@H](CCNC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C)[NH+](C)C ZINC000664082227 419880170 /nfs/dbraw/zinc/88/01/70/419880170.db2.gz ACOLMKMNFUVCQO-CHWSQXEVSA-N 2 2 285.436 -0.128 20 0 CBADLP C[C@H](CCNC(=O)NC[C@@H]1CN(C)CC[N@H+]1C)[NH+](C)C ZINC000664082227 419880174 /nfs/dbraw/zinc/88/01/74/419880174.db2.gz ACOLMKMNFUVCQO-CHWSQXEVSA-N 2 2 285.436 -0.128 20 0 CBADLP CN1CC[C@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)C1=O ZINC000664193161 419885767 /nfs/dbraw/zinc/88/57/67/419885767.db2.gz RGVBMHFQBWSZNU-LBPRGKRZSA-N 2 2 299.419 -0.600 20 0 CBADLP CN1CC[C@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)C1=O ZINC000664193161 419885775 /nfs/dbraw/zinc/88/57/75/419885775.db2.gz RGVBMHFQBWSZNU-LBPRGKRZSA-N 2 2 299.419 -0.600 20 0 CBADLP C[C@@H](NC(=O)[C@H]1CCC[NH2+]1)[C@@H](C)[NH+]1CCOCC1 ZINC000649323300 419886046 /nfs/dbraw/zinc/88/60/46/419886046.db2.gz UGELVUFZPAXQPQ-IJLUTSLNSA-N 2 2 255.362 -0.036 20 0 CBADLP C[C@H](NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)[C@H](C)[NH+]1CCOCC1 ZINC000649323291 419887339 /nfs/dbraw/zinc/88/73/39/419887339.db2.gz SXEMNPPNMPKVFK-JZRPKSSGSA-N 2 2 267.373 -0.323 20 0 CBADLP C[C@@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)[C@@H](C)[NH+]1CCOCC1 ZINC000649323215 419888246 /nfs/dbraw/zinc/88/82/46/419888246.db2.gz NPUBAKIFIKVQCB-VEGXAWMVSA-N 2 2 267.373 -0.038 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C3([NH3+])CC3)C2)CC1 ZINC000649334033 419890452 /nfs/dbraw/zinc/89/04/52/419890452.db2.gz CYNRKPWKWJINIM-LLVKDONJSA-N 3 2 266.389 -0.238 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C3([NH3+])CC3)C2)CC1 ZINC000649334033 419890459 /nfs/dbraw/zinc/89/04/59/419890459.db2.gz CYNRKPWKWJINIM-LLVKDONJSA-N 3 2 266.389 -0.238 20 0 CBADLP OCC[N@@H+]1CCCN(c2nc[nH+]c3c2OCCN3)CC1 ZINC000665698747 544613115 /nfs/dbraw/zinc/61/31/15/544613115.db2.gz VACKJPPGLHQVKN-UHFFFAOYSA-N 2 2 279.344 -0.215 20 0 CBADLP OCC[N@H+]1CCCN(c2nc[nH+]c3c2OCCN3)CC1 ZINC000665698747 544613120 /nfs/dbraw/zinc/61/31/20/544613120.db2.gz VACKJPPGLHQVKN-UHFFFAOYSA-N 2 2 279.344 -0.215 20 0 CBADLP c1nc(NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c2c([nH+]1)NCCO2 ZINC000665722097 544613297 /nfs/dbraw/zinc/61/32/97/544613297.db2.gz OZERKDXGBSVDAX-PHIMTYICSA-N 2 2 291.355 -0.332 20 0 CBADLP c1nc(NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c2c([nH+]1)NCCO2 ZINC000665722097 544613298 /nfs/dbraw/zinc/61/32/98/544613298.db2.gz OZERKDXGBSVDAX-PHIMTYICSA-N 2 2 291.355 -0.332 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)C2([NH+](C)C)CC2)CC1 ZINC000666399293 544635515 /nfs/dbraw/zinc/63/55/15/544635515.db2.gz GPHNYRHCLROMFR-UHFFFAOYSA-N 2 2 282.388 -0.639 20 0 CBADLP COCC[NH+]1CCN(C(=O)COC2(C)C[NH2+]C2)CC1 ZINC000649283053 419863004 /nfs/dbraw/zinc/86/30/04/419863004.db2.gz CUAVIAGZQAAGNW-UHFFFAOYSA-N 2 2 271.361 -0.845 20 0 CBADLP C[C@H](NC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)c1[nH+]ccn1C ZINC000667248807 544657859 /nfs/dbraw/zinc/65/78/59/544657859.db2.gz HBUSKSNXKUISMK-DCAQKATOSA-N 2 2 281.360 -0.203 20 0 CBADLP Cc1[nH+]cc(CN2CC[NH+](CC(N)=O)CC2)n1C ZINC000667491875 544665890 /nfs/dbraw/zinc/66/58/90/544665890.db2.gz LBGZCOKZBQSFEP-UHFFFAOYSA-N 2 2 251.334 -0.669 20 0 CBADLP Cc1[nH+]cc(C[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)n1C ZINC000667654789 544669108 /nfs/dbraw/zinc/66/91/08/544669108.db2.gz KQDIWLVPXCROMH-JTQLQIEISA-N 2 2 272.374 -0.148 20 0 CBADLP Cc1[nH+]cc(C[N@H+]2CC[C@H](NS(C)(=O)=O)C2)n1C ZINC000667654789 544669110 /nfs/dbraw/zinc/66/91/10/544669110.db2.gz KQDIWLVPXCROMH-JTQLQIEISA-N 2 2 272.374 -0.148 20 0 CBADLP C[C@H](CNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)[NH+]1CCN(C)CC1 ZINC000649351992 419902916 /nfs/dbraw/zinc/90/29/16/419902916.db2.gz CXAXWNUHYUFAGS-NDBYEHHHSA-N 2 2 266.389 -0.796 20 0 CBADLP CCOC[C@@H](O)C[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000358594980 419904755 /nfs/dbraw/zinc/90/47/55/419904755.db2.gz CUCWJQSZJXELEY-LBPRGKRZSA-N 2 2 273.377 -0.910 20 0 CBADLP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCc2[nH+]ccn2C)C1 ZINC000668811974 544722361 /nfs/dbraw/zinc/72/23/61/544722361.db2.gz GXEZKUSRJYFUGU-NSHDSACASA-N 2 2 293.371 -0.363 20 0 CBADLP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NCc2[nH+]ccn2C)C1 ZINC000668811974 544722363 /nfs/dbraw/zinc/72/23/63/544722363.db2.gz GXEZKUSRJYFUGU-NSHDSACASA-N 2 2 293.371 -0.363 20 0 CBADLP C[NH+](C)C1CC[NH+](CCNC(=O)NC/C=C/CO)CC1 ZINC000664537545 419908599 /nfs/dbraw/zinc/90/85/99/419908599.db2.gz OGMIZULKUZJUEJ-ONEGZZNKSA-N 2 2 284.404 -0.140 20 0 CBADLP Cc1cc(N2CC[C@H]([N@H+](C)C[C@@H](O)C[NH3+])C2=O)n(C)n1 ZINC000649419796 419909547 /nfs/dbraw/zinc/90/95/47/419909547.db2.gz LYIUFJAZLWBUOY-QWRGUYRKSA-N 2 2 281.360 -0.915 20 0 CBADLP Cc1cc(N2CC[C@H]([N@@H+](C)C[C@@H](O)C[NH3+])C2=O)n(C)n1 ZINC000649419796 419909551 /nfs/dbraw/zinc/90/95/51/419909551.db2.gz LYIUFJAZLWBUOY-QWRGUYRKSA-N 2 2 281.360 -0.915 20 0 CBADLP C[NH+](C)C1(C(=O)N2CC[NH+](CCn3cncn3)CC2)CC1 ZINC000669058177 544735833 /nfs/dbraw/zinc/73/58/33/544735833.db2.gz KWGXIDAKJNIPIL-UHFFFAOYSA-N 2 2 292.387 -0.484 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)CCC[NH3+])CC1 ZINC000649410057 419910472 /nfs/dbraw/zinc/91/04/72/419910472.db2.gz KKGAEBOPNMSHBN-LBPRGKRZSA-N 3 2 256.394 -0.180 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)CCC[NH3+])CC1 ZINC000649410057 419910475 /nfs/dbraw/zinc/91/04/75/419910475.db2.gz KKGAEBOPNMSHBN-LBPRGKRZSA-N 3 2 256.394 -0.180 20 0 CBADLP CN(C)C(=O)CN(CC[NH+](C)C)Cc1[nH+]ccn1C ZINC000668558703 544708051 /nfs/dbraw/zinc/70/80/51/544708051.db2.gz PCCZDMOQKVRJJP-UHFFFAOYSA-N 2 2 267.377 -0.128 20 0 CBADLP CN(C)C(=O)CN(CC[NH+](C)C)Cc1c[nH+]cn1C ZINC000668558755 544708755 /nfs/dbraw/zinc/70/87/55/544708755.db2.gz RCYOGXZWTGHSPH-UHFFFAOYSA-N 2 2 267.377 -0.128 20 0 CBADLP C[NH+](C)C1(C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000668675135 544714887 /nfs/dbraw/zinc/71/48/87/544714887.db2.gz INYHXCHAYUZJBV-UHFFFAOYSA-N 2 2 282.388 -0.639 20 0 CBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CC(=O)N1 ZINC000668690655 544716898 /nfs/dbraw/zinc/71/68/98/544716898.db2.gz XOZSDSDWHIYRFL-LBPRGKRZSA-N 2 2 282.388 -0.641 20 0 CBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CC(=O)N1 ZINC000668690655 544716899 /nfs/dbraw/zinc/71/68/99/544716899.db2.gz XOZSDSDWHIYRFL-LBPRGKRZSA-N 2 2 282.388 -0.641 20 0 CBADLP C[C@H]([NH3+])CNC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000669439271 544749059 /nfs/dbraw/zinc/74/90/59/544749059.db2.gz FASNQKRWQDIHEA-JTQLQIEISA-N 2 2 258.366 -0.256 20 0 CBADLP C[C@H]([NH3+])CNC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000669439271 544749061 /nfs/dbraw/zinc/74/90/61/544749061.db2.gz FASNQKRWQDIHEA-JTQLQIEISA-N 2 2 258.366 -0.256 20 0 CBADLP C[C@@H]([NH3+])CNC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000669439272 544749755 /nfs/dbraw/zinc/74/97/55/544749755.db2.gz FASNQKRWQDIHEA-SNVBAGLBSA-N 2 2 258.366 -0.256 20 0 CBADLP C[C@@H]([NH3+])CNC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000669439272 544749759 /nfs/dbraw/zinc/74/97/59/544749759.db2.gz FASNQKRWQDIHEA-SNVBAGLBSA-N 2 2 258.366 -0.256 20 0 CBADLP CCOC(=O)[C@H](C)[C@@H](C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000358792512 419921681 /nfs/dbraw/zinc/92/16/81/419921681.db2.gz QZQMEQQBGFSFQF-VXGBXAGGSA-N 2 2 285.388 -0.062 20 0 CBADLP C[C@H](NC(=O)N1CC[NH2+][C@@H](C)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000669538172 544752203 /nfs/dbraw/zinc/75/22/03/544752203.db2.gz BXUYVXJAQPYWAI-SRVKXCTJSA-N 2 2 270.377 -0.291 20 0 CBADLP C[C@H](NC(=O)N1CC[NH2+][C@@H](C)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000669538172 544752205 /nfs/dbraw/zinc/75/22/05/544752205.db2.gz BXUYVXJAQPYWAI-SRVKXCTJSA-N 2 2 270.377 -0.291 20 0 CBADLP Cc1cnn(CC[N@H+]2CCN(CC[NH+](C)C)C(=O)C2)c1 ZINC000649684764 419922854 /nfs/dbraw/zinc/92/28/54/419922854.db2.gz AXQAUTQBOBIJPM-UHFFFAOYSA-N 2 2 279.388 -0.103 20 0 CBADLP Cc1cnn(CC[N@@H+]2CCN(CC[NH+](C)C)C(=O)C2)c1 ZINC000649684764 419922856 /nfs/dbraw/zinc/92/28/56/419922856.db2.gz AXQAUTQBOBIJPM-UHFFFAOYSA-N 2 2 279.388 -0.103 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000358848465 419924174 /nfs/dbraw/zinc/92/41/74/419924174.db2.gz AZXJWFAVZWNSOQ-TZMCWYRMSA-N 2 2 296.415 -0.345 20 0 CBADLP C[C@@H](O)CCC[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649685059 419924274 /nfs/dbraw/zinc/92/42/74/419924274.db2.gz MOYBZIHESWOIHD-GFCCVEGCSA-N 2 2 257.378 -0.147 20 0 CBADLP C[C@@H](O)CCC[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649685059 419924276 /nfs/dbraw/zinc/92/42/76/419924276.db2.gz MOYBZIHESWOIHD-GFCCVEGCSA-N 2 2 257.378 -0.147 20 0 CBADLP C[C@H](CC[N@@H+]1CCOC[C@H](O)C1)[NH+]1CCOC[C@@H](O)C1 ZINC000664772696 419916683 /nfs/dbraw/zinc/91/66/83/419916683.db2.gz IMPBLEYWHLPHMR-MCIONIFRSA-N 2 2 288.388 -0.849 20 0 CBADLP C[C@H](CC[N@H+]1CCOC[C@H](O)C1)[NH+]1CCOC[C@@H](O)C1 ZINC000664772696 419916691 /nfs/dbraw/zinc/91/66/91/419916691.db2.gz IMPBLEYWHLPHMR-MCIONIFRSA-N 2 2 288.388 -0.849 20 0 CBADLP C[C@H](CC[NH+]1CCOC[C@H](O)C1)[N@@H+]1CCOC[C@@H](O)C1 ZINC000664772696 419916697 /nfs/dbraw/zinc/91/66/97/419916697.db2.gz IMPBLEYWHLPHMR-MCIONIFRSA-N 2 2 288.388 -0.849 20 0 CBADLP C[C@H](CC[NH+]1CCOC[C@H](O)C1)[N@H+]1CCOC[C@@H](O)C1 ZINC000664772696 419916702 /nfs/dbraw/zinc/91/67/02/419916702.db2.gz IMPBLEYWHLPHMR-MCIONIFRSA-N 2 2 288.388 -0.849 20 0 CBADLP Cn1cc[nH+]c1N1CC[NH+](C[C@@H]2CCC(=O)N2)CC1 ZINC000649565661 419919044 /nfs/dbraw/zinc/91/90/44/419919044.db2.gz PMUFZSRIXIIXQJ-NSHDSACASA-N 2 2 263.345 -0.179 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000671153107 544806695 /nfs/dbraw/zinc/80/66/95/544806695.db2.gz HUDLVHMJCONRCL-NWDGAFQWSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000671153107 544806700 /nfs/dbraw/zinc/80/67/00/544806700.db2.gz HUDLVHMJCONRCL-NWDGAFQWSA-N 2 2 293.371 -0.402 20 0 CBADLP C[NH+](C)CCN1CC[N@H+](CCc2cn[nH]c2)CC1=O ZINC000649685014 419925273 /nfs/dbraw/zinc/92/52/73/419925273.db2.gz KUZRLSMWOJZAHR-UHFFFAOYSA-N 2 2 265.361 -0.342 20 0 CBADLP C[NH+](C)CCN1CC[N@@H+](CCc2cn[nH]c2)CC1=O ZINC000649685014 419925280 /nfs/dbraw/zinc/92/52/80/419925280.db2.gz KUZRLSMWOJZAHR-UHFFFAOYSA-N 2 2 265.361 -0.342 20 0 CBADLP CCOCC[C@H](O)C[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649685899 419926980 /nfs/dbraw/zinc/92/69/80/419926980.db2.gz QQDXACMEBGVURB-ZDUSSCGKSA-N 2 2 287.404 -0.520 20 0 CBADLP CCOCC[C@H](O)C[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649685899 419926984 /nfs/dbraw/zinc/92/69/84/419926984.db2.gz QQDXACMEBGVURB-ZDUSSCGKSA-N 2 2 287.404 -0.520 20 0 CBADLP CC[NH+]1CCN(CC(=O)N[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000672152739 544840240 /nfs/dbraw/zinc/84/02/40/544840240.db2.gz MEDMNHFQKQAPLI-ZDUSSCGKSA-N 2 2 291.399 -0.048 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000672154255 544840830 /nfs/dbraw/zinc/84/08/30/544840830.db2.gz HHCUXMFOJHALQR-ZYHUDNBSSA-N 2 2 264.329 -0.355 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000672154255 544840833 /nfs/dbraw/zinc/84/08/33/544840833.db2.gz HHCUXMFOJHALQR-ZYHUDNBSSA-N 2 2 264.329 -0.355 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000672154249 544841105 /nfs/dbraw/zinc/84/11/05/544841105.db2.gz HHCUXMFOJHALQR-CMPLNLGQSA-N 2 2 264.329 -0.355 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000672154249 544841109 /nfs/dbraw/zinc/84/11/09/544841109.db2.gz HHCUXMFOJHALQR-CMPLNLGQSA-N 2 2 264.329 -0.355 20 0 CBADLP C[C@H](C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)S(C)(=O)=O ZINC000665299992 419938697 /nfs/dbraw/zinc/93/86/97/419938697.db2.gz VXOSXZLKZXXUGM-USWWRNFRSA-N 2 2 276.402 -0.224 20 0 CBADLP CC[C@H]1C[N@@H+]([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)CCO1 ZINC000359223661 419949124 /nfs/dbraw/zinc/94/91/24/419949124.db2.gz JTRDAGSNRRFMQS-NWDGAFQWSA-N 2 2 283.372 -0.214 20 0 CBADLP CC[C@H]1C[N@H+]([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)CCO1 ZINC000359223661 419949127 /nfs/dbraw/zinc/94/91/27/419949127.db2.gz JTRDAGSNRRFMQS-NWDGAFQWSA-N 2 2 283.372 -0.214 20 0 CBADLP Cn1cc[nH+]c1CNC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000672256326 544844318 /nfs/dbraw/zinc/84/43/18/544844318.db2.gz OAGKRGWSYDNBEJ-JTQLQIEISA-N 2 2 279.344 -0.753 20 0 CBADLP Cn1cc[nH+]c1CNC(=O)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000672256326 544844321 /nfs/dbraw/zinc/84/43/21/544844321.db2.gz OAGKRGWSYDNBEJ-JTQLQIEISA-N 2 2 279.344 -0.753 20 0 CBADLP COCC[N@H+](C)CCCNc1[nH+]cnc2c1OCCN2 ZINC000665691934 419959757 /nfs/dbraw/zinc/95/97/57/419959757.db2.gz LNQZAOKGZAIPRV-UHFFFAOYSA-N 2 2 281.360 -0.226 20 0 CBADLP COCC[N@@H+](C)CCCNc1[nH+]cnc2c1OCCN2 ZINC000665691934 419959762 /nfs/dbraw/zinc/95/97/62/419959762.db2.gz LNQZAOKGZAIPRV-UHFFFAOYSA-N 2 2 281.360 -0.226 20 0 CBADLP COCC[N@H+](C)CCCNc1nc[nH+]c2c1OCCN2 ZINC000665691934 419959766 /nfs/dbraw/zinc/95/97/66/419959766.db2.gz LNQZAOKGZAIPRV-UHFFFAOYSA-N 2 2 281.360 -0.226 20 0 CBADLP COCC[N@@H+](C)CCCNc1nc[nH+]c2c1OCCN2 ZINC000665691934 419959769 /nfs/dbraw/zinc/95/97/69/419959769.db2.gz LNQZAOKGZAIPRV-UHFFFAOYSA-N 2 2 281.360 -0.226 20 0 CBADLP COC(=O)[C@H]1C[C@H](NC(=O)[C@H]2CCC[NH2+]C2)C[NH2+]1 ZINC000365776508 420067793 /nfs/dbraw/zinc/06/77/93/420067793.db2.gz AOEFGJBNFHZYHX-LPEHRKFASA-N 2 2 255.318 -0.994 20 0 CBADLP O=C([C@H]1CSC[NH2+]1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000360172890 420007435 /nfs/dbraw/zinc/00/74/35/420007435.db2.gz ZHAHOUWZUKCVKZ-SNVBAGLBSA-N 2 2 281.385 -0.284 20 0 CBADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1CSC[NH2+]1 ZINC000360172896 420007811 /nfs/dbraw/zinc/00/78/11/420007811.db2.gz ZHWYHDNBIWLMQI-QWRGUYRKSA-N 2 2 272.418 -0.599 20 0 CBADLP CCC[N@H+](CC)CCNC(=O)C(=O)N1CC[NH+](CC)CC1 ZINC000360171958 420008109 /nfs/dbraw/zinc/00/81/09/420008109.db2.gz RAAFIMRDEDLMIZ-UHFFFAOYSA-N 2 2 298.431 -0.001 20 0 CBADLP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CC[NH+](CC)CC1 ZINC000360171958 420008111 /nfs/dbraw/zinc/00/81/11/420008111.db2.gz RAAFIMRDEDLMIZ-UHFFFAOYSA-N 2 2 298.431 -0.001 20 0 CBADLP Cc1nc(N2CCN(CC[NH+](C)C)C(=O)C2)cc[nH+]1 ZINC000651383200 420009050 /nfs/dbraw/zinc/00/90/50/420009050.db2.gz OMXBKMYGRSKCHC-UHFFFAOYSA-N 2 2 263.345 -0.005 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CSC[NH2+]1 ZINC000360203995 420009881 /nfs/dbraw/zinc/00/98/81/420009881.db2.gz JNWVKQQVIDRLIV-VHSXEESVSA-N 2 2 259.375 -0.514 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@H]1CSC[NH2+]1 ZINC000360203995 420009883 /nfs/dbraw/zinc/00/98/83/420009883.db2.gz JNWVKQQVIDRLIV-VHSXEESVSA-N 2 2 259.375 -0.514 20 0 CBADLP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000652545389 420069218 /nfs/dbraw/zinc/06/92/18/420069218.db2.gz FNKYBMNVTAZEBR-UHFFFAOYSA-N 2 2 296.415 -0.295 20 0 CBADLP C[N@@H+]1CC[C@@](O)(CNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000651736236 420032967 /nfs/dbraw/zinc/03/29/67/420032967.db2.gz QZJNWGGWGGRCCQ-OAHLLOKOSA-N 2 2 292.383 -0.055 20 0 CBADLP C[N@H+]1CC[C@@](O)(CNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000651736236 420032969 /nfs/dbraw/zinc/03/29/69/420032969.db2.gz QZJNWGGWGGRCCQ-OAHLLOKOSA-N 2 2 292.383 -0.055 20 0 CBADLP CC(=O)NCC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364231577 420033578 /nfs/dbraw/zinc/03/35/78/420033578.db2.gz NKZFSNKBFVCWQM-LBPRGKRZSA-N 2 2 282.388 -0.593 20 0 CBADLP CC(=O)NCC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364231577 420033581 /nfs/dbraw/zinc/03/35/81/420033581.db2.gz NKZFSNKBFVCWQM-LBPRGKRZSA-N 2 2 282.388 -0.593 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CCNC(N)=O)C2)CC1 ZINC000364232180 420034667 /nfs/dbraw/zinc/03/46/67/420034667.db2.gz WCUZRTZAERJDIE-NSHDSACASA-N 2 2 297.403 -0.671 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CCNC(N)=O)C2)CC1 ZINC000364232180 420034670 /nfs/dbraw/zinc/03/46/70/420034670.db2.gz WCUZRTZAERJDIE-NSHDSACASA-N 2 2 297.403 -0.671 20 0 CBADLP COC(=O)[C@H]1C[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C[NH2+]1 ZINC000365758272 420069752 /nfs/dbraw/zinc/06/97/52/420069752.db2.gz MZEHFKQFVOBTSB-AXFHLTTASA-N 2 2 271.361 -0.408 20 0 CBADLP CN1CC[N@H+](C)[C@H](CNC(=O)NCCC2(C[NH3+])CC2)C1 ZINC000652150477 420049630 /nfs/dbraw/zinc/04/96/30/420049630.db2.gz XWYPECCZXBSZAY-GFCCVEGCSA-N 2 2 283.420 -0.340 20 0 CBADLP CN1CC[N@@H+](C)[C@H](CNC(=O)NCCC2(C[NH3+])CC2)C1 ZINC000652150477 420049632 /nfs/dbraw/zinc/04/96/32/420049632.db2.gz XWYPECCZXBSZAY-GFCCVEGCSA-N 2 2 283.420 -0.340 20 0 CBADLP COC(=O)[C@H]1C[C@H](NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)C[NH2+]1 ZINC000365679482 420065850 /nfs/dbraw/zinc/06/58/50/420065850.db2.gz QYTSCZUSYIVAAS-ZRUFSTJUSA-N 2 2 269.345 -0.476 20 0 CBADLP C[N@H+](CC(=O)N1CC([NH+]2CC[C@@H](O)C2)C1)[C@@H]1CCSC1 ZINC000652890798 420096612 /nfs/dbraw/zinc/09/66/12/420096612.db2.gz ORUYBIDZSJJYDF-DGCLKSJQSA-N 2 2 299.440 -0.299 20 0 CBADLP C[N@@H+](CC(=O)N1CC([NH+]2CC[C@@H](O)C2)C1)[C@@H]1CCSC1 ZINC000652890798 420096616 /nfs/dbraw/zinc/09/66/16/420096616.db2.gz ORUYBIDZSJJYDF-DGCLKSJQSA-N 2 2 299.440 -0.299 20 0 CBADLP C[NH+](CC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1)[C@@H]1CCSC1 ZINC000652890798 420096620 /nfs/dbraw/zinc/09/66/20/420096620.db2.gz ORUYBIDZSJJYDF-DGCLKSJQSA-N 2 2 299.440 -0.299 20 0 CBADLP C[NH+](CC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1)[C@@H]1CCSC1 ZINC000652890798 420096623 /nfs/dbraw/zinc/09/66/23/420096623.db2.gz ORUYBIDZSJJYDF-DGCLKSJQSA-N 2 2 299.440 -0.299 20 0 CBADLP O=C(C[N@@H+]1CCc2sccc2C1)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000367476989 420107862 /nfs/dbraw/zinc/10/78/62/420107862.db2.gz LRGXNGSUDFAXII-NEPJUHHUSA-N 2 2 295.408 -0.197 20 0 CBADLP O=C(C[N@H+]1CCc2sccc2C1)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000367476989 420107866 /nfs/dbraw/zinc/10/78/66/420107866.db2.gz LRGXNGSUDFAXII-NEPJUHHUSA-N 2 2 295.408 -0.197 20 0 CBADLP COC[C@@H]([NH3+])C(=O)N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000367644480 420112445 /nfs/dbraw/zinc/11/24/45/420112445.db2.gz SZOYGTTZJJLJTN-GHMZBOCLSA-N 2 2 273.402 -0.390 20 0 CBADLP CCCN(CC(=O)NC)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653075871 420112560 /nfs/dbraw/zinc/11/25/60/420112560.db2.gz APZLLPAKKKCNCJ-SNVBAGLBSA-N 2 2 258.366 -0.750 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCN(C(=O)C(C)(C)C)CC1 ZINC000653065415 420112947 /nfs/dbraw/zinc/11/29/47/420112947.db2.gz CMLHDQXLYWGBDA-LBPRGKRZSA-N 2 2 298.431 -0.018 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCC(=O)NC1CCCCC1 ZINC000653081710 420112959 /nfs/dbraw/zinc/11/29/59/420112959.db2.gz YGXDYFPDTAKSLZ-GFCCVEGCSA-N 2 2 284.404 -0.170 20 0 CBADLP C[C@@H](C[NH3+])C(=O)NC[C@@]1([NH+]2CCOCC2)CCCOC1 ZINC000367644683 420112930 /nfs/dbraw/zinc/11/29/30/420112930.db2.gz USALPUDYQXUYQQ-JSGCOSHPSA-N 2 2 285.388 -0.421 20 0 CBADLP C[C@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C(=O)NC(C)(C)C ZINC000653078215 420113195 /nfs/dbraw/zinc/11/31/95/420113195.db2.gz ZOVGTQFAALBURX-UWVGGRQHSA-N 2 2 272.393 -0.315 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCNC(=O)c1ccccc1 ZINC000653064256 420113356 /nfs/dbraw/zinc/11/33/56/420113356.db2.gz MILCXTXMBJXIEM-ZDUSSCGKSA-N 2 2 292.383 -0.188 20 0 CBADLP CCCCN(CC(N)=O)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653072703 420113425 /nfs/dbraw/zinc/11/34/25/420113425.db2.gz BVJWZZSXMDPHLK-SNVBAGLBSA-N 2 2 258.366 -0.621 20 0 CBADLP CCNC(=O)CN(CC)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653070616 420113646 /nfs/dbraw/zinc/11/36/46/420113646.db2.gz CLZWFFQOLHPVBC-SNVBAGLBSA-N 2 2 258.366 -0.750 20 0 CBADLP CC[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653080547 420113703 /nfs/dbraw/zinc/11/37/03/420113703.db2.gz KZHAKWQCRUPBAF-HBNTYKKESA-N 2 2 272.393 -0.315 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@H](O)COc1ccccc1 ZINC000653073238 420113908 /nfs/dbraw/zinc/11/39/08/420113908.db2.gz WPZDRBANZHOUHI-JSGCOSHPSA-N 2 2 295.383 -0.179 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@@](C)(C(N)=O)c1ccccc1 ZINC000653082276 420114316 /nfs/dbraw/zinc/11/43/16/420114316.db2.gz OPROFJXWHVWLET-IUODEOHRSA-N 2 2 292.383 -0.218 20 0 CBADLP CN1CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C(C)(C)C1=O ZINC000653095875 420114459 /nfs/dbraw/zinc/11/44/59/420114459.db2.gz ZCFUPOSLEZNEAQ-JTQLQIEISA-N 2 2 270.377 -0.655 20 0 CBADLP CCOCC[NH+]1CCN(C(=O)[C@H](N)CC[NH+](C)C)CC1 ZINC000653108477 420116777 /nfs/dbraw/zinc/11/67/77/420116777.db2.gz YYXAMOBJEWZVDL-CYBMUJFWSA-N 2 2 286.420 -0.554 20 0 CBADLP CCOCC[NH+]1CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653108477 420116785 /nfs/dbraw/zinc/11/67/85/420116785.db2.gz YYXAMOBJEWZVDL-CYBMUJFWSA-N 3 2 286.420 -0.554 20 0 CBADLP COC(=O)CNC(=O)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000367847615 420117642 /nfs/dbraw/zinc/11/76/42/420117642.db2.gz QSSAHKPYECGQBK-CYBMUJFWSA-N 2 2 269.345 -0.697 20 0 CBADLP COC(=O)CNC(=O)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000367847615 420117646 /nfs/dbraw/zinc/11/76/46/420117646.db2.gz QSSAHKPYECGQBK-CYBMUJFWSA-N 2 2 269.345 -0.697 20 0 CBADLP COC(=O)CNC(=O)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000367847615 420117649 /nfs/dbraw/zinc/11/76/49/420117649.db2.gz QSSAHKPYECGQBK-CYBMUJFWSA-N 2 2 269.345 -0.697 20 0 CBADLP COC(=O)CNC(=O)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000367847615 420117652 /nfs/dbraw/zinc/11/76/52/420117652.db2.gz QSSAHKPYECGQBK-CYBMUJFWSA-N 2 2 269.345 -0.697 20 0 CBADLP CN(C)c1[nH+]cccc1CNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653109598 420117792 /nfs/dbraw/zinc/11/77/92/420117792.db2.gz GHSKQTUUTHGQSC-WFASDCNBSA-N 2 2 290.367 0.000 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653116334 420118372 /nfs/dbraw/zinc/11/83/72/420118372.db2.gz CNHNUVAEYDWVGK-DYEKYZERSA-N 2 2 283.372 -0.941 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653116334 420118376 /nfs/dbraw/zinc/11/83/76/420118376.db2.gz CNHNUVAEYDWVGK-DYEKYZERSA-N 2 2 283.372 -0.941 20 0 CBADLP COc1ncc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc1C(N)=O ZINC000653123391 420119295 /nfs/dbraw/zinc/11/92/95/420119295.db2.gz XHSAFHZUVHUSTN-JTQLQIEISA-N 2 2 295.343 -0.593 20 0 CBADLP C[NH+](C)CC[C@H](N)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000653114225 420119844 /nfs/dbraw/zinc/11/98/44/420119844.db2.gz ANOBBYJTMDQBCE-LBPRGKRZSA-N 2 2 286.420 -0.508 20 0 CBADLP C[NH+](C)CC[C@H](N)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000653114225 420119849 /nfs/dbraw/zinc/11/98/49/420119849.db2.gz ANOBBYJTMDQBCE-LBPRGKRZSA-N 2 2 286.420 -0.508 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000653148752 420122639 /nfs/dbraw/zinc/12/26/39/420122639.db2.gz KCRMUSQGZAYHIP-RYUDHWBXSA-N 3 2 256.394 -0.182 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCOC[C@@H]1C1CC1 ZINC000653151909 420123193 /nfs/dbraw/zinc/12/31/93/420123193.db2.gz XFXXWROPJQNPPD-VXGBXAGGSA-N 2 2 255.362 -0.097 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000653144423 420123198 /nfs/dbraw/zinc/12/31/98/420123198.db2.gz SKZLYXHRWOYISC-PWSUYJOCSA-N 3 2 260.357 -0.575 20 0 CBADLP C[C@@H]1CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)[C@@H](C(N)=O)C1 ZINC000653151932 420123212 /nfs/dbraw/zinc/12/32/12/420123212.db2.gz YAQGDEYTRZHLFF-GMTAPVOTSA-N 2 2 270.377 -0.622 20 0 CBADLP C[C@@H](CNC(=O)[C@H]([NH3+])CC[NH+](C)C)N1CCCCC1=O ZINC000653160535 420124807 /nfs/dbraw/zinc/12/48/07/420124807.db2.gz LZKKKZBQEWWPPX-NWDGAFQWSA-N 2 2 284.404 -0.217 20 0 CBADLP CCCN1CCCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CC1=O ZINC000653156876 420125054 /nfs/dbraw/zinc/12/50/54/420125054.db2.gz OAKZPUCBOPHGHT-LBPRGKRZSA-N 2 2 284.404 -0.264 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@H]1CCN(C(C)(C)C)C1=O ZINC000653167115 420125844 /nfs/dbraw/zinc/12/58/44/420125844.db2.gz JKMSRVYWYHGXEL-QWRGUYRKSA-N 2 2 284.404 -0.219 20 0 CBADLP COCCOCC[NH+]1CCN(C(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000653275557 420133620 /nfs/dbraw/zinc/13/36/20/420133620.db2.gz IBTYNALRHCBUJA-CYBMUJFWSA-N 2 2 285.388 -0.454 20 0 CBADLP C[NH+](C)CCN1C(=O)C[C@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)C1=O ZINC000653285117 420136900 /nfs/dbraw/zinc/13/69/00/420136900.db2.gz DFNKTIYDEQQAKA-STQMWFEESA-N 3 2 296.415 -0.393 20 0 CBADLP C[NH+](C)CCN1C(=O)C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)C1=O ZINC000653285117 420136904 /nfs/dbraw/zinc/13/69/04/420136904.db2.gz DFNKTIYDEQQAKA-STQMWFEESA-N 3 2 296.415 -0.393 20 0 CBADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)NCC(=O)N1CCCC1 ZINC000653298598 420137427 /nfs/dbraw/zinc/13/74/27/420137427.db2.gz XCVCGXBWNDLIAS-NEPJUHHUSA-N 2 2 282.388 -0.463 20 0 CBADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)NCC(=O)N1CCCC1 ZINC000653298598 420137432 /nfs/dbraw/zinc/13/74/32/420137432.db2.gz XCVCGXBWNDLIAS-NEPJUHHUSA-N 2 2 282.388 -0.463 20 0 CBADLP Cn1ccnc1C[NH2+][C@@H]1CC(=O)N(CCC[NH+](C)C)C1=O ZINC000653284851 420137917 /nfs/dbraw/zinc/13/79/17/420137917.db2.gz WIYALHQHCXOPMW-LLVKDONJSA-N 2 2 293.371 -0.411 20 0 CBADLP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000368681791 420140193 /nfs/dbraw/zinc/14/01/93/420140193.db2.gz AXVMNWXAYFVZDL-OLZOCXBDSA-N 2 2 269.389 -0.243 20 0 CBADLP COC(=O)[C@H]1C[C@H](NC(=O)[C@H]([NH3+])c2ccccc2)C[NH2+]1 ZINC000366150912 420077658 /nfs/dbraw/zinc/07/76/58/420077658.db2.gz GJYYBCDJNMRKQH-QJPTWQEYSA-N 2 2 277.324 -0.294 20 0 CBADLP C[NH+](C)C/C=C/C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000366464302 420085245 /nfs/dbraw/zinc/08/52/45/420085245.db2.gz FTWDVVGZCIUUMG-PCAWENJQSA-N 2 2 252.362 -0.780 20 0 CBADLP C[N@@H+]1CC[C@]2(CC[NH+](CC(=O)N3CCOCC3)C2)C1 ZINC000366560758 420089212 /nfs/dbraw/zinc/08/92/12/420089212.db2.gz RHHIDGCGQJEHCI-AWEZNQCLSA-N 2 2 267.373 -0.127 20 0 CBADLP C[N@H+]1CC[C@]2(CC[NH+](CC(=O)N3CCOCC3)C2)C1 ZINC000366560758 420089216 /nfs/dbraw/zinc/08/92/16/420089216.db2.gz RHHIDGCGQJEHCI-AWEZNQCLSA-N 2 2 267.373 -0.127 20 0 CBADLP C[NH+]1CC[C@]2(CC[N@H+](CC(=O)N3CCOCC3)C2)C1 ZINC000366560758 420089219 /nfs/dbraw/zinc/08/92/19/420089219.db2.gz RHHIDGCGQJEHCI-AWEZNQCLSA-N 2 2 267.373 -0.127 20 0 CBADLP C[NH+]1CC[C@]2(CC[N@@H+](CC(=O)N3CCOCC3)C2)C1 ZINC000366560758 420089222 /nfs/dbraw/zinc/08/92/22/420089222.db2.gz RHHIDGCGQJEHCI-AWEZNQCLSA-N 2 2 267.373 -0.127 20 0 CBADLP Nc1cc2c(nn1)CC[N@H+](CCC[NH+]1CCOCC1)C2 ZINC000377896754 420197477 /nfs/dbraw/zinc/19/74/77/420197477.db2.gz AKPBLYACKRCXEF-UHFFFAOYSA-N 2 2 277.372 0.139 20 0 CBADLP Nc1cc2c(nn1)CC[N@@H+](CCC[NH+]1CCOCC1)C2 ZINC000377896754 420197481 /nfs/dbraw/zinc/19/74/81/420197481.db2.gz AKPBLYACKRCXEF-UHFFFAOYSA-N 2 2 277.372 0.139 20 0 CBADLP CC(C)[C@@H]([NH3+])c1cn(C[C@@H](O)C[NH+]2CCOCC2)nn1 ZINC000380963185 420199132 /nfs/dbraw/zinc/19/91/32/420199132.db2.gz QFTXTPKFFCMBDU-WCQYABFASA-N 2 2 283.376 -0.373 20 0 CBADLP Cc1nnsc1C[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000384219736 420200707 /nfs/dbraw/zinc/20/07/07/420200707.db2.gz DVRAOMDRATXNMS-UHFFFAOYSA-N 2 2 269.374 -0.290 20 0 CBADLP C[N@H+](C[C@H](O)C[NH2+]C[C@H]1CCCS1(=O)=O)C1CC1 ZINC000386495559 420203202 /nfs/dbraw/zinc/20/32/02/420203202.db2.gz YGUUAAJCLVMLGP-VXGBXAGGSA-N 2 2 276.402 -0.392 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH2+]C[C@H]1CCCS1(=O)=O)C1CC1 ZINC000386495559 420203207 /nfs/dbraw/zinc/20/32/07/420203207.db2.gz YGUUAAJCLVMLGP-VXGBXAGGSA-N 2 2 276.402 -0.392 20 0 CBADLP C[N@H+](C[C@@H](O)C[NH2+]C[C@@H]1CCCS1(=O)=O)C1CC1 ZINC000386495554 420203435 /nfs/dbraw/zinc/20/34/35/420203435.db2.gz YGUUAAJCLVMLGP-RYUDHWBXSA-N 2 2 276.402 -0.392 20 0 CBADLP C[N@@H+](C[C@@H](O)C[NH2+]C[C@@H]1CCCS1(=O)=O)C1CC1 ZINC000386495554 420203439 /nfs/dbraw/zinc/20/34/39/420203439.db2.gz YGUUAAJCLVMLGP-RYUDHWBXSA-N 2 2 276.402 -0.392 20 0 CBADLP C[N@H+](C[C@@H](O)C[NH2+]C[C@H]1CCCS1(=O)=O)C1CC1 ZINC000386495549 420203726 /nfs/dbraw/zinc/20/37/26/420203726.db2.gz YGUUAAJCLVMLGP-NWDGAFQWSA-N 2 2 276.402 -0.392 20 0 CBADLP C[N@@H+](C[C@@H](O)C[NH2+]C[C@H]1CCCS1(=O)=O)C1CC1 ZINC000386495549 420203730 /nfs/dbraw/zinc/20/37/30/420203730.db2.gz YGUUAAJCLVMLGP-NWDGAFQWSA-N 2 2 276.402 -0.392 20 0 CBADLP O=C(NCCCn1cc[nH+]c1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000653478540 420145917 /nfs/dbraw/zinc/14/59/17/420145917.db2.gz HFHKQVBYPUSILP-QWHCGFSZSA-N 2 2 293.371 -0.266 20 0 CBADLP O=C(NCCCn1cc[nH+]c1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000653478540 420145922 /nfs/dbraw/zinc/14/59/22/420145922.db2.gz HFHKQVBYPUSILP-QWHCGFSZSA-N 2 2 293.371 -0.266 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)C[C@@H](O)C1CC1 ZINC000653567113 420148642 /nfs/dbraw/zinc/14/86/42/420148642.db2.gz SGDYABCCJPIVCG-QWHCGFSZSA-N 2 2 260.378 -0.372 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)C[C@@H](O)C1CC1 ZINC000653567113 420148646 /nfs/dbraw/zinc/14/86/46/420148646.db2.gz SGDYABCCJPIVCG-QWHCGFSZSA-N 2 2 260.378 -0.372 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)C[C@@H](O)C1CC1 ZINC000653567113 420148650 /nfs/dbraw/zinc/14/86/50/420148650.db2.gz SGDYABCCJPIVCG-QWHCGFSZSA-N 2 2 260.378 -0.372 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)C[C@@H](O)C1CC1 ZINC000653567113 420148653 /nfs/dbraw/zinc/14/86/53/420148653.db2.gz SGDYABCCJPIVCG-QWHCGFSZSA-N 2 2 260.378 -0.372 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](NC(=O)NC)C1 ZINC000653618380 420151605 /nfs/dbraw/zinc/15/16/05/420151605.db2.gz DKDXKKRJBHQUKP-QWRGUYRKSA-N 2 2 258.366 -0.698 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](NC(=O)NC)C1 ZINC000653618380 420151608 /nfs/dbraw/zinc/15/16/08/420151608.db2.gz DKDXKKRJBHQUKP-QWRGUYRKSA-N 2 2 258.366 -0.698 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](NC(=O)NC)C1 ZINC000653618380 420151611 /nfs/dbraw/zinc/15/16/11/420151611.db2.gz DKDXKKRJBHQUKP-QWRGUYRKSA-N 2 2 258.366 -0.698 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](NC(=O)NC)C1 ZINC000653618380 420151615 /nfs/dbraw/zinc/15/16/15/420151615.db2.gz DKDXKKRJBHQUKP-QWRGUYRKSA-N 2 2 258.366 -0.698 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCNC(=O)C[C@@H]1C ZINC000653593716 420152097 /nfs/dbraw/zinc/15/20/97/420152097.db2.gz MDICGDYPFUNMNX-NWDGAFQWSA-N 2 2 273.377 -0.864 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCNC(=O)C[C@@H]1C ZINC000653593716 420152101 /nfs/dbraw/zinc/15/21/01/420152101.db2.gz MDICGDYPFUNMNX-NWDGAFQWSA-N 2 2 273.377 -0.864 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCNC(=O)C[C@@H]1C ZINC000653593716 420152104 /nfs/dbraw/zinc/15/21/04/420152104.db2.gz MDICGDYPFUNMNX-NWDGAFQWSA-N 2 2 273.377 -0.864 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](C)C[C@@H]1C(N)=O ZINC000653625951 420152200 /nfs/dbraw/zinc/15/22/00/420152200.db2.gz YHPPYNMTWSPDPE-SDDRHHMPSA-N 2 2 257.378 -0.115 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](C)C[C@@H]1C(N)=O ZINC000653625951 420152204 /nfs/dbraw/zinc/15/22/04/420152204.db2.gz YHPPYNMTWSPDPE-SDDRHHMPSA-N 2 2 257.378 -0.115 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](C)C[C@@H]1C(N)=O ZINC000653625951 420152207 /nfs/dbraw/zinc/15/22/07/420152207.db2.gz YHPPYNMTWSPDPE-SDDRHHMPSA-N 2 2 257.378 -0.115 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](C)C[C@@H]1C(N)=O ZINC000653625951 420152211 /nfs/dbraw/zinc/15/22/11/420152211.db2.gz YHPPYNMTWSPDPE-SDDRHHMPSA-N 2 2 257.378 -0.115 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCNC(=O)C[C@H]1C ZINC000653593718 420153842 /nfs/dbraw/zinc/15/38/42/420153842.db2.gz MDICGDYPFUNMNX-VXGBXAGGSA-N 2 2 273.377 -0.864 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCNC(=O)C[C@H]1C ZINC000653593718 420153844 /nfs/dbraw/zinc/15/38/44/420153844.db2.gz MDICGDYPFUNMNX-VXGBXAGGSA-N 2 2 273.377 -0.864 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCNC(=O)C[C@H]1C ZINC000653593718 420153846 /nfs/dbraw/zinc/15/38/46/420153846.db2.gz MDICGDYPFUNMNX-VXGBXAGGSA-N 2 2 273.377 -0.864 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](CC(N)=O)C1 ZINC000653675718 420155835 /nfs/dbraw/zinc/15/58/35/420155835.db2.gz MVWWIUBGOVYLPT-NEPJUHHUSA-N 2 2 273.377 -0.877 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](CC(N)=O)C1 ZINC000653675718 420155836 /nfs/dbraw/zinc/15/58/36/420155836.db2.gz MVWWIUBGOVYLPT-NEPJUHHUSA-N 2 2 273.377 -0.877 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](CC(N)=O)C1 ZINC000653675718 420155841 /nfs/dbraw/zinc/15/58/41/420155841.db2.gz MVWWIUBGOVYLPT-NEPJUHHUSA-N 2 2 273.377 -0.877 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](CC(N)=O)C1 ZINC000653675718 420155843 /nfs/dbraw/zinc/15/58/43/420155843.db2.gz MVWWIUBGOVYLPT-NEPJUHHUSA-N 2 2 273.377 -0.877 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC2([NH+]3CCOCC3)CC2)C1 ZINC000369289679 420156285 /nfs/dbraw/zinc/15/62/85/420156285.db2.gz CVGSVLHSVWAJGY-CYBMUJFWSA-N 2 2 297.399 -0.312 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)NCC2([NH+]3CCOCC3)CC2)C1 ZINC000369289679 420156290 /nfs/dbraw/zinc/15/62/90/420156290.db2.gz CVGSVLHSVWAJGY-CYBMUJFWSA-N 2 2 297.399 -0.312 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)NCc2[nH+]ccn2C)C1 ZINC000369678536 420163612 /nfs/dbraw/zinc/16/36/12/420163612.db2.gz OBVJQBDPTXTTQX-JTQLQIEISA-N 2 2 252.318 -0.243 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)NCc2[nH+]ccn2C)C1 ZINC000369678536 420163615 /nfs/dbraw/zinc/16/36/15/420163615.db2.gz OBVJQBDPTXTTQX-JTQLQIEISA-N 2 2 252.318 -0.243 20 0 CBADLP O=C(NCC[NH+]1CCOCC1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000369819971 420166952 /nfs/dbraw/zinc/16/69/52/420166952.db2.gz RVKAFXHBWMDPRS-WCQYABFASA-N 2 2 253.346 -0.566 20 0 CBADLP COC(=O)C[N@@H+]1CCCN(C(=O)/C=C/C[NH+](C)C)CC1 ZINC000370016539 420172518 /nfs/dbraw/zinc/17/25/18/420172518.db2.gz HQHFKFKYSXPZHK-GQCTYLIASA-N 2 2 283.372 -0.189 20 0 CBADLP COC(=O)C[N@H+]1CCCN(C(=O)/C=C/C[NH+](C)C)CC1 ZINC000370016539 420172522 /nfs/dbraw/zinc/17/25/22/420172522.db2.gz HQHFKFKYSXPZHK-GQCTYLIASA-N 2 2 283.372 -0.189 20 0 CBADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](CCO)CC2)C1 ZINC000370493949 420180106 /nfs/dbraw/zinc/18/01/06/420180106.db2.gz XXXKXTSGQCUTAV-CYBMUJFWSA-N 2 2 285.388 -0.768 20 0 CBADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](CCO)CC2)C1 ZINC000370493949 420180111 /nfs/dbraw/zinc/18/01/11/420180111.db2.gz XXXKXTSGQCUTAV-CYBMUJFWSA-N 2 2 285.388 -0.768 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@@H](C)[NH+]2CC(C)C2)CC1 ZINC000654505973 420182744 /nfs/dbraw/zinc/18/27/44/420182744.db2.gz LXFOKVTZYKWHGW-CYBMUJFWSA-N 2 2 296.415 -0.393 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC(CO)(OC)CC1 ZINC000401779745 420222040 /nfs/dbraw/zinc/22/20/40/420222040.db2.gz VQNGVAXMDSONIA-CYBMUJFWSA-N 2 2 290.404 -0.601 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(CO)(OC)CC1 ZINC000401779745 420222046 /nfs/dbraw/zinc/22/20/46/420222046.db2.gz VQNGVAXMDSONIA-CYBMUJFWSA-N 2 2 290.404 -0.601 20 0 CBADLP COCC1(CC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])CC1 ZINC000401273170 420222374 /nfs/dbraw/zinc/22/23/74/420222374.db2.gz NPTGYBSBYPKRTB-LLVKDONJSA-N 2 2 255.362 -0.096 20 0 CBADLP COCC1(CC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])CC1 ZINC000401273170 420222378 /nfs/dbraw/zinc/22/23/78/420222378.db2.gz NPTGYBSBYPKRTB-LLVKDONJSA-N 2 2 255.362 -0.096 20 0 CBADLP COCC[N@@H+]1CC[C@H]([NH2+]CC[C@]2(O)CCOC2)C1 ZINC000404169354 420224087 /nfs/dbraw/zinc/22/40/87/420224087.db2.gz CZGUTFYBDAWWRF-STQMWFEESA-N 2 2 258.362 -0.162 20 0 CBADLP COCC[N@H+]1CC[C@H]([NH2+]CC[C@]2(O)CCOC2)C1 ZINC000404169354 420224090 /nfs/dbraw/zinc/22/40/90/420224090.db2.gz CZGUTFYBDAWWRF-STQMWFEESA-N 2 2 258.362 -0.162 20 0 CBADLP COCC[N@@H+]1CC[C@@H]([NH2+]CC[C@@]2(O)CCOC2)C1 ZINC000404169345 420224446 /nfs/dbraw/zinc/22/44/46/420224446.db2.gz CZGUTFYBDAWWRF-CHWSQXEVSA-N 2 2 258.362 -0.162 20 0 CBADLP COCC[N@H+]1CC[C@@H]([NH2+]CC[C@@]2(O)CCOC2)C1 ZINC000404169345 420224448 /nfs/dbraw/zinc/22/44/48/420224448.db2.gz CZGUTFYBDAWWRF-CHWSQXEVSA-N 2 2 258.362 -0.162 20 0 CBADLP O=C(NCC[NH+]1CCOCC1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407272392 420228716 /nfs/dbraw/zinc/22/87/16/420228716.db2.gz QAWHZDHKVVTAFA-QWHCGFSZSA-N 2 2 267.373 -0.035 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000419878376 420246142 /nfs/dbraw/zinc/24/61/42/420246142.db2.gz QLYQQTDMPOQADV-RYUDHWBXSA-N 2 2 282.388 -0.463 20 0 CBADLP C[N@@H+]1CCN(C(=O)[C@@H]2C[C@]23CCC[NH2+]C3)[C@H](C[NH3+])C1 ZINC000655418511 420247476 /nfs/dbraw/zinc/24/74/76/420247476.db2.gz ACYKPRYTHYRHGW-DYEKYZERSA-N 3 2 266.389 -0.523 20 0 CBADLP C[N@H+]1CCN(C(=O)[C@@H]2C[C@]23CCC[NH2+]C3)[C@H](C[NH3+])C1 ZINC000655418511 420247481 /nfs/dbraw/zinc/24/74/81/420247481.db2.gz ACYKPRYTHYRHGW-DYEKYZERSA-N 3 2 266.389 -0.523 20 0 CBADLP C[NH2+][C@@H](C)C(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000655443643 420250223 /nfs/dbraw/zinc/25/02/23/420250223.db2.gz RQSDXUBOZKYWQJ-QWRGUYRKSA-N 2 2 282.388 -0.594 20 0 CBADLP [NH3+]C[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CCO1 ZINC000655453751 420251577 /nfs/dbraw/zinc/25/15/77/420251577.db2.gz QAMHRUCWHYDFRZ-WDEREUQCSA-N 2 2 264.329 -0.368 20 0 CBADLP O=C([C@@H]1C[C@]12CCC[NH2+]C2)N1CC[NH+](CCO)CC1 ZINC000655461270 420253949 /nfs/dbraw/zinc/25/39/49/420253949.db2.gz PHRRQPJUJZWQSO-JSGCOSHPSA-N 2 2 267.373 -0.487 20 0 CBADLP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[NH2+][C@H](C)C2)CC[N@@H+]1C ZINC000423373565 420255854 /nfs/dbraw/zinc/25/58/54/420255854.db2.gz HJQIVVYYDJSRGE-OLZOCXBDSA-N 2 2 296.415 -0.395 20 0 CBADLP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[NH2+][C@H](C)C2)CC[N@H+]1C ZINC000423373565 420255857 /nfs/dbraw/zinc/25/58/57/420255857.db2.gz HJQIVVYYDJSRGE-OLZOCXBDSA-N 2 2 296.415 -0.395 20 0 CBADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)[C@@H]1CC[NH2+]C1 ZINC000430719559 420272055 /nfs/dbraw/zinc/27/20/55/420272055.db2.gz JYUQPAYCZNXGKS-GFCCVEGCSA-N 2 2 293.371 -0.237 20 0 CBADLP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000430611663 420272122 /nfs/dbraw/zinc/27/21/22/420272122.db2.gz PJOQESACOFTMMW-VXGBXAGGSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000430611663 420272129 /nfs/dbraw/zinc/27/21/29/420272129.db2.gz PJOQESACOFTMMW-VXGBXAGGSA-N 2 2 296.415 -0.217 20 0 CBADLP CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+](C)C2CC[NH2+]CC2)C1 ZINC000430607089 420273300 /nfs/dbraw/zinc/27/33/00/420273300.db2.gz BFFPUSZQKYVQLV-CYBMUJFWSA-N 2 2 296.415 -0.203 20 0 CBADLP CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+](C)C2CC[NH2+]CC2)C1 ZINC000430607089 420273304 /nfs/dbraw/zinc/27/33/04/420273304.db2.gz BFFPUSZQKYVQLV-CYBMUJFWSA-N 2 2 296.415 -0.203 20 0 CBADLP Cc1csc(=O)n1CC[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430616458 420273351 /nfs/dbraw/zinc/27/33/51/420273351.db2.gz FNFFPVIHEPFVGK-UHFFFAOYSA-N 2 2 298.412 -0.418 20 0 CBADLP Cc1csc(=O)n1CC[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430616458 420273354 /nfs/dbraw/zinc/27/33/54/420273354.db2.gz FNFFPVIHEPFVGK-UHFFFAOYSA-N 2 2 298.412 -0.418 20 0 CBADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000436881052 420283665 /nfs/dbraw/zinc/28/36/65/420283665.db2.gz MFOPBGQSDDPBPR-PWSUYJOCSA-N 2 2 281.360 -0.240 20 0 CBADLP C[NH+](C)[C@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@@H]1O ZINC000655094480 420220796 /nfs/dbraw/zinc/22/07/96/420220796.db2.gz LDTGLZFOGMXZTL-SRVKXCTJSA-N 2 2 278.356 -0.421 20 0 CBADLP CCOC(=O)N1CCN(C(=O)C[NH2+]CC2([NH3+])CCC2)CC1 ZINC000497153866 420342128 /nfs/dbraw/zinc/34/21/28/420342128.db2.gz PBHCKBCXDSAJPQ-UHFFFAOYSA-N 2 2 298.387 -0.242 20 0 CBADLP CC[N@@H+]1CC[C@H]2OCCN(C(=O)[C@H]3C[NH+](C)CCO3)[C@H]2C1 ZINC000502660742 420352696 /nfs/dbraw/zinc/35/26/96/420352696.db2.gz GOANPOXBYKVCML-BFHYXJOUSA-N 2 2 297.399 -0.361 20 0 CBADLP CC[N@H+]1CC[C@H]2OCCN(C(=O)[C@H]3C[NH+](C)CCO3)[C@H]2C1 ZINC000502660742 420352701 /nfs/dbraw/zinc/35/27/01/420352701.db2.gz GOANPOXBYKVCML-BFHYXJOUSA-N 2 2 297.399 -0.361 20 0 CBADLP CC[NH+]1CC[C@H]2OCCN(C(=O)[C@H]3C[N@H+](C)CCO3)[C@H]2C1 ZINC000502660742 420352704 /nfs/dbraw/zinc/35/27/04/420352704.db2.gz GOANPOXBYKVCML-BFHYXJOUSA-N 2 2 297.399 -0.361 20 0 CBADLP CC[NH+]1CC[C@H]2OCCN(C(=O)[C@H]3C[N@@H+](C)CCO3)[C@H]2C1 ZINC000502660742 420352708 /nfs/dbraw/zinc/35/27/08/420352708.db2.gz GOANPOXBYKVCML-BFHYXJOUSA-N 2 2 297.399 -0.361 20 0 CBADLP Cc1nc(NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)nc(N(C)C)[nH+]1 ZINC000450789686 420298988 /nfs/dbraw/zinc/29/89/88/420298988.db2.gz IXZNPVFTOWLLBH-TXEJJXNPSA-N 2 2 292.387 0.521 20 0 CBADLP Cc1nc(NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)nc(N(C)C)[nH+]1 ZINC000450789686 420298991 /nfs/dbraw/zinc/29/89/91/420298991.db2.gz IXZNPVFTOWLLBH-TXEJJXNPSA-N 2 2 292.387 0.521 20 0 CBADLP COc1c(N)[nH+]cnc1N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000656204350 420302274 /nfs/dbraw/zinc/30/22/74/420302274.db2.gz UJDYBXLJCUDQCN-SECBINFHSA-N 2 2 265.317 -0.677 20 0 CBADLP COc1c(N)[nH+]cnc1N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000656204350 420302276 /nfs/dbraw/zinc/30/22/76/420302276.db2.gz UJDYBXLJCUDQCN-SECBINFHSA-N 2 2 265.317 -0.677 20 0 CBADLP CN(Cc1c[nH+]c[nH]1)C(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000658758561 420386394 /nfs/dbraw/zinc/38/63/94/420386394.db2.gz WINNKAFHARGCHS-LBPRGKRZSA-N 2 2 293.371 -0.079 20 0 CBADLP CN(Cc1c[nH+]c[nH]1)C(=O)C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000658758561 420386400 /nfs/dbraw/zinc/38/64/00/420386400.db2.gz WINNKAFHARGCHS-LBPRGKRZSA-N 2 2 293.371 -0.079 20 0 CBADLP CN(Cc1c[nH]c[nH+]1)C(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000658758561 420386404 /nfs/dbraw/zinc/38/64/04/420386404.db2.gz WINNKAFHARGCHS-LBPRGKRZSA-N 2 2 293.371 -0.079 20 0 CBADLP CN(Cc1c[nH]c[nH+]1)C(=O)C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000658758561 420386409 /nfs/dbraw/zinc/38/64/09/420386409.db2.gz WINNKAFHARGCHS-LBPRGKRZSA-N 2 2 293.371 -0.079 20 0 CBADLP COC[C@H](CCO)[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000521045258 420391833 /nfs/dbraw/zinc/39/18/33/420391833.db2.gz LKCYVWIDDDZSFG-RFQIPJPRSA-N 2 2 290.404 -0.557 20 0 CBADLP COC[C@H](CCO)[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000521045258 420391836 /nfs/dbraw/zinc/39/18/36/420391836.db2.gz LKCYVWIDDDZSFG-RFQIPJPRSA-N 2 2 290.404 -0.557 20 0 CBADLP COC[C@H](CCO)[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000521045257 420391922 /nfs/dbraw/zinc/39/19/22/420391922.db2.gz LKCYVWIDDDZSFG-MQYQWHSLSA-N 2 2 290.404 -0.557 20 0 CBADLP O=C(Nc1ccc2[nH+]ccn2c1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000659085569 420396702 /nfs/dbraw/zinc/39/67/02/420396702.db2.gz YQBFSIYVCCCDON-PHIMTYICSA-N 2 2 299.334 -0.049 20 0 CBADLP C[C@@H](C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)[NH+](C)C ZINC000674287621 544900612 /nfs/dbraw/zinc/90/06/12/544900612.db2.gz KJINYJBOKRPXEB-AVGNSLFASA-N 2 2 269.389 -0.006 20 0 CBADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)[C@H](C)[NH+](C)C)CC1 ZINC000674264896 544900892 /nfs/dbraw/zinc/90/08/92/544900892.db2.gz CPHKDGSNJTYIAT-NEPJUHHUSA-N 2 2 296.415 -0.252 20 0 CBADLP C[C@@H](C(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1)[NH+](C)C ZINC000674264897 544901651 /nfs/dbraw/zinc/90/16/51/544901651.db2.gz CPHKDGSNJTYIAT-RYUDHWBXSA-N 2 2 296.415 -0.252 20 0 CBADLP C[C@@](O)(CNC(=O)Cn1cc[nH+]c1)C[NH+]1CCOCC1 ZINC000674364121 544903984 /nfs/dbraw/zinc/90/39/84/544903984.db2.gz NPYSFTZVHSYGGA-CYBMUJFWSA-N 2 2 282.344 -0.918 20 0 CBADLP C[C@H](CC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)n1cc[nH+]c1 ZINC000516878264 420366550 /nfs/dbraw/zinc/36/65/50/420366550.db2.gz FBZSHFQHHQKICM-UTUOFQBUSA-N 2 2 291.355 -0.395 20 0 CBADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@H]2C[N@H+](CC)CCO2)C1 ZINC000673673111 544886085 /nfs/dbraw/zinc/88/60/85/544886085.db2.gz FUPALVYEESTQCN-QWHCGFSZSA-N 2 2 285.388 -0.456 20 0 CBADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@H]2C[N@@H+](CC)CCO2)C1 ZINC000673673111 544886088 /nfs/dbraw/zinc/88/60/88/544886088.db2.gz FUPALVYEESTQCN-QWHCGFSZSA-N 2 2 285.388 -0.456 20 0 CBADLP CC[NH+]1CCO[C@@H](CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC000673673111 544886091 /nfs/dbraw/zinc/88/60/91/544886091.db2.gz FUPALVYEESTQCN-QWHCGFSZSA-N 2 2 285.388 -0.456 20 0 CBADLP CC[NH+]1CCO[C@@H](CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC000673673111 544886095 /nfs/dbraw/zinc/88/60/95/544886095.db2.gz FUPALVYEESTQCN-QWHCGFSZSA-N 2 2 285.388 -0.456 20 0 CBADLP CC[NH+]1CCN(CC(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000676348051 544948703 /nfs/dbraw/zinc/94/87/03/544948703.db2.gz NTASWKLVUWYSGJ-KGLIPLIRSA-N 2 2 298.431 -0.541 20 0 CBADLP CC[NH+]1CCN(CC(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000676348051 544948705 /nfs/dbraw/zinc/94/87/05/544948705.db2.gz NTASWKLVUWYSGJ-KGLIPLIRSA-N 2 2 298.431 -0.541 20 0 CBADLP C[C@H](NC(=O)CN1CC[NH+](C)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000676346634 544949015 /nfs/dbraw/zinc/94/90/15/544949015.db2.gz COTQICNFRDWATR-QWHCGFSZSA-N 2 2 284.404 -0.931 20 0 CBADLP C[C@H](NC(=O)CN1CC[NH+](C)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000676346634 544949017 /nfs/dbraw/zinc/94/90/17/544949017.db2.gz COTQICNFRDWATR-QWHCGFSZSA-N 2 2 284.404 -0.931 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000676345023 544949068 /nfs/dbraw/zinc/94/90/68/544949068.db2.gz UUCUTBWJPXTIRY-ZIAGYGMSSA-N 2 2 297.399 -0.314 20 0 CBADLP CCN(CC)C(=O)C[C@@H](C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000675782471 544937300 /nfs/dbraw/zinc/93/73/00/544937300.db2.gz UKYSVPPTSXXCCT-CYBMUJFWSA-N 2 2 298.431 -0.003 20 0 CBADLP C[C@H](NC(=O)NCc1[nH+]ccn1C)[C@@H]1C[N@H+](C)CCO1 ZINC000676245399 544944417 /nfs/dbraw/zinc/94/44/17/544944417.db2.gz ILLJSJKMFIGRMZ-QWRGUYRKSA-N 2 2 281.360 -0.062 20 0 CBADLP C[C@H](NC(=O)NCc1[nH+]ccn1C)[C@@H]1C[N@@H+](C)CCO1 ZINC000676245399 544944421 /nfs/dbraw/zinc/94/44/21/544944421.db2.gz ILLJSJKMFIGRMZ-QWRGUYRKSA-N 2 2 281.360 -0.062 20 0 CBADLP C[C@@H](NC(=O)NCc1[nH+]ccn1C)[C@@H]1C[N@H+](C)CCO1 ZINC000676245397 544944605 /nfs/dbraw/zinc/94/46/05/544944605.db2.gz ILLJSJKMFIGRMZ-MNOVXSKESA-N 2 2 281.360 -0.062 20 0 CBADLP C[C@@H](NC(=O)NCc1[nH+]ccn1C)[C@@H]1C[N@@H+](C)CCO1 ZINC000676245397 544944607 /nfs/dbraw/zinc/94/46/07/544944607.db2.gz ILLJSJKMFIGRMZ-MNOVXSKESA-N 2 2 281.360 -0.062 20 0 CBADLP C[NH2+]C[C@@H](C)NC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000659434825 420418589 /nfs/dbraw/zinc/41/85/89/420418589.db2.gz CMMQILAAFUHBLQ-MNOVXSKESA-N 2 2 258.366 -0.386 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659435127 420419235 /nfs/dbraw/zinc/41/92/35/420419235.db2.gz GZXJNFIEIDSNNE-DCBWTQNWSA-N 2 2 282.388 -0.242 20 0 CBADLP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000676623844 544956332 /nfs/dbraw/zinc/95/63/32/544956332.db2.gz NWBAGJLOACRBOQ-STQMWFEESA-N 2 2 266.389 -0.413 20 0 CBADLP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000676623844 544956337 /nfs/dbraw/zinc/95/63/37/544956337.db2.gz NWBAGJLOACRBOQ-STQMWFEESA-N 2 2 266.389 -0.413 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@H]3CC[NH2+]C3)C2)CC1 ZINC000659456969 420420500 /nfs/dbraw/zinc/42/05/00/420420500.db2.gz VBJVUWPNXDXZGK-QWHCGFSZSA-N 3 2 295.431 -0.184 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N[C@H]3CC[NH2+]C3)C2)CC1 ZINC000659456969 420420504 /nfs/dbraw/zinc/42/05/04/420420504.db2.gz VBJVUWPNXDXZGK-QWHCGFSZSA-N 3 2 295.431 -0.184 20 0 CBADLP O=C(NC[C@@H]1C[NH+]2CCN1CC2)[C@H]1CCn2c[nH+]cc2C1 ZINC000676844948 544963349 /nfs/dbraw/zinc/96/33/49/544963349.db2.gz UQGCPSDKXYKQGH-GXTWGEPZSA-N 2 2 289.383 -0.439 20 0 CBADLP O=C(NC[C@@H]1C[NH+]2CCN1CC2)[C@@H]1CCn2c[nH+]cc2C1 ZINC000676844955 544963372 /nfs/dbraw/zinc/96/33/72/544963372.db2.gz UQGCPSDKXYKQGH-TZMCWYRMSA-N 2 2 289.383 -0.439 20 0 CBADLP CC[N@@H+]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C[C@@H]1C ZINC000677171613 544969843 /nfs/dbraw/zinc/96/98/43/544969843.db2.gz BRCNRPLZZCHZAQ-RYUDHWBXSA-N 2 2 255.362 -0.130 20 0 CBADLP CC[N@H+]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C[C@@H]1C ZINC000677171613 544969847 /nfs/dbraw/zinc/96/98/47/544969847.db2.gz BRCNRPLZZCHZAQ-RYUDHWBXSA-N 2 2 255.362 -0.130 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@@H]1C ZINC000677171613 544969850 /nfs/dbraw/zinc/96/98/50/544969850.db2.gz BRCNRPLZZCHZAQ-RYUDHWBXSA-N 2 2 255.362 -0.130 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@@H]1C ZINC000677171613 544969851 /nfs/dbraw/zinc/96/98/51/544969851.db2.gz BRCNRPLZZCHZAQ-RYUDHWBXSA-N 2 2 255.362 -0.130 20 0 CBADLP CC[N@@H+]1CCN(C(=O)CN2CC[NH+](C)CC2)C[C@H]1C ZINC000677184673 544971295 /nfs/dbraw/zinc/97/12/95/544971295.db2.gz RZQBPOWJGKDBDT-CYBMUJFWSA-N 2 2 268.405 -0.214 20 0 CBADLP CC[N@H+]1CCN(C(=O)CN2CC[NH+](C)CC2)C[C@H]1C ZINC000677184673 544971299 /nfs/dbraw/zinc/97/12/99/544971299.db2.gz RZQBPOWJGKDBDT-CYBMUJFWSA-N 2 2 268.405 -0.214 20 0 CBADLP O=C([C@@H]1CCC[NH2+]C1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659358474 420413932 /nfs/dbraw/zinc/41/39/32/420413932.db2.gz QRXDYPWZXJNHQF-OLZOCXBDSA-N 2 2 267.373 -0.081 20 0 CBADLP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659357210 420414490 /nfs/dbraw/zinc/41/44/90/420414490.db2.gz DNZLTBBWLHIHHZ-YNEHKIRRSA-N 2 2 267.373 -0.083 20 0 CBADLP O=C(CCOC1C[NH2+]C1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659357215 420414515 /nfs/dbraw/zinc/41/45/15/420414515.db2.gz DVAXHIXCNRNIPP-GFCCVEGCSA-N 2 2 283.372 -0.702 20 0 CBADLP CC(C)(C[NH3+])C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659359097 420416676 /nfs/dbraw/zinc/41/66/76/420416676.db2.gz WGFNTTYPIKTAOW-LLVKDONJSA-N 2 2 255.362 -0.096 20 0 CBADLP C[N@H+]1CCN(C(=O)NCC2([NH3+])CCCC2)[C@@H](C[NH3+])C1 ZINC000659575545 420434977 /nfs/dbraw/zinc/43/49/77/420434977.db2.gz PLQIOLYLFLTCKS-NSHDSACASA-N 3 2 269.393 -0.458 20 0 CBADLP Cc1cncc(CCNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])n1 ZINC000659605269 420436175 /nfs/dbraw/zinc/43/61/75/420436175.db2.gz BWIROMWFZIKZCH-CYBMUJFWSA-N 2 2 292.387 -0.388 20 0 CBADLP C[C@H]1[NH2+]CCC[C@@H]1C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000342706044 230232439 /nfs/dbraw/zinc/23/24/39/230232439.db2.gz LLNLFEYSMMEJTP-NEPJUHHUSA-N 2 2 296.415 -0.217 20 0 CBADLP CCC[N@@H+]1CC[C@H](NC(=O)N2CC[NH+](C)C[C@H]2C[NH3+])C1 ZINC000659610167 420436845 /nfs/dbraw/zinc/43/68/45/420436845.db2.gz LZWXNKUVNNYIFK-QWHCGFSZSA-N 3 2 283.420 -0.245 20 0 CBADLP CCC[N@H+]1CC[C@H](NC(=O)N2CC[NH+](C)C[C@H]2C[NH3+])C1 ZINC000659610167 420436848 /nfs/dbraw/zinc/43/68/48/420436848.db2.gz LZWXNKUVNNYIFK-QWHCGFSZSA-N 3 2 283.420 -0.245 20 0 CBADLP CCC[NH+]1CC[C@H](NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])C1 ZINC000659610167 420436852 /nfs/dbraw/zinc/43/68/52/420436852.db2.gz LZWXNKUVNNYIFK-QWHCGFSZSA-N 3 2 283.420 -0.245 20 0 CBADLP CCC[NH+]1CC[C@H](NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])C1 ZINC000659610167 420436854 /nfs/dbraw/zinc/43/68/54/420436854.db2.gz LZWXNKUVNNYIFK-QWHCGFSZSA-N 3 2 283.420 -0.245 20 0 CBADLP O=C(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)N1CCOC[C@@H]1C1CC1 ZINC000677980860 545010634 /nfs/dbraw/zinc/01/06/34/545010634.db2.gz LSJXHXZNJCCPHA-HZSPNIEDSA-N 2 2 279.384 -0.225 20 0 CBADLP O=C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)N1CCOC[C@@H]1C1CC1 ZINC000677980860 545010635 /nfs/dbraw/zinc/01/06/35/545010635.db2.gz LSJXHXZNJCCPHA-HZSPNIEDSA-N 2 2 279.384 -0.225 20 0 CBADLP COC[C@@H](O)C[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000678081940 545012830 /nfs/dbraw/zinc/01/28/30/545012830.db2.gz YMFPNQSHIKTMGT-STQMWFEESA-N 2 2 285.388 -0.592 20 0 CBADLP COC[C@@H](O)C[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000678081940 545012831 /nfs/dbraw/zinc/01/28/31/545012831.db2.gz YMFPNQSHIKTMGT-STQMWFEESA-N 2 2 285.388 -0.592 20 0 CBADLP CCOC[C@@H](O)C[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000678081971 545013068 /nfs/dbraw/zinc/01/30/68/545013068.db2.gz ZMHVMYQLAOBXLC-KBPBESRZSA-N 2 2 299.415 -0.202 20 0 CBADLP CCOC[C@@H](O)C[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000678081971 545013069 /nfs/dbraw/zinc/01/30/69/545013069.db2.gz ZMHVMYQLAOBXLC-KBPBESRZSA-N 2 2 299.415 -0.202 20 0 CBADLP C[C@@H]1C[C@@H]([NH2+]CCc2nnnn2C)C[N@@H+]1C1CC1 ZINC000678498349 545017591 /nfs/dbraw/zinc/01/75/91/545017591.db2.gz ICHCQDQOXMLACS-NXEZZACHSA-N 2 2 250.350 -0.033 20 0 CBADLP C[C@@H]1C[C@@H]([NH2+]CCc2nnnn2C)C[N@H+]1C1CC1 ZINC000678498349 545017593 /nfs/dbraw/zinc/01/75/93/545017593.db2.gz ICHCQDQOXMLACS-NXEZZACHSA-N 2 2 250.350 -0.033 20 0 CBADLP O=C(NC[C@H]1CCC[NH2+]1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659515101 420427547 /nfs/dbraw/zinc/42/75/47/420427547.db2.gz HTUIIVHBNGUVCJ-CHWSQXEVSA-N 2 2 282.388 -0.146 20 0 CBADLP C[C@@H](C(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1)[NH+](C)C ZINC000679237603 545024711 /nfs/dbraw/zinc/02/47/11/545024711.db2.gz RLPHDSKVTXGSKS-KBPBESRZSA-N 2 2 299.415 -0.114 20 0 CBADLP Cc1nc(N)c(CNC(=O)[C@@H]2C[N@H+](C)CCO2)c[nH+]1 ZINC000556842151 420430257 /nfs/dbraw/zinc/43/02/57/420430257.db2.gz VCVLYRXPQKTESV-JTQLQIEISA-N 2 2 265.317 -0.686 20 0 CBADLP Cc1nc(N)c(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)c[nH+]1 ZINC000556842151 420430260 /nfs/dbraw/zinc/43/02/60/420430260.db2.gz VCVLYRXPQKTESV-JTQLQIEISA-N 2 2 265.317 -0.686 20 0 CBADLP O=C1C[C@@H]([NH2+]C2CSC2)CN1CC[NH+]1CCOCC1 ZINC000679625564 545031155 /nfs/dbraw/zinc/03/11/55/545031155.db2.gz FPZXZXIUTAWLLU-LLVKDONJSA-N 2 2 285.413 -0.376 20 0 CBADLP [NH3+]C/C=C\CNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659544754 420430893 /nfs/dbraw/zinc/43/08/93/420430893.db2.gz WUGWFXIWYXGSHB-UDSFMNFJSA-N 2 2 268.361 -0.383 20 0 CBADLP CC[C@@H]([NH3+])CNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659552273 420432160 /nfs/dbraw/zinc/43/21/60/420432160.db2.gz WXNMYJFNIKJQNB-NEPJUHHUSA-N 2 2 270.377 -0.160 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+]Cc2cn(C(C)(C)C)nn2)CC1 ZINC000682940126 545062079 /nfs/dbraw/zinc/06/20/79/545062079.db2.gz HWHKLLLCLAHYRU-UHFFFAOYSA-N 2 2 294.403 -0.103 20 0 CBADLP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000659750643 420467722 /nfs/dbraw/zinc/46/77/22/420467722.db2.gz HJRSDIWMNUPQFP-VIFPVBQESA-N 2 2 279.344 -0.742 20 0 CBADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)[C@H](C)[NH+](C)C)[C@@H](C)C1 ZINC000684480301 545074703 /nfs/dbraw/zinc/07/47/03/545074703.db2.gz ACWPNCDPNMHYPO-TUAOUCFPSA-N 2 2 257.378 -0.150 20 0 CBADLP C[C@@H](O)C[N@H+]1CCN(C(=O)[C@H](C)[NH+](C)C)[C@@H](C)C1 ZINC000684480301 545074704 /nfs/dbraw/zinc/07/47/04/545074704.db2.gz ACWPNCDPNMHYPO-TUAOUCFPSA-N 2 2 257.378 -0.150 20 0 CBADLP Nc1cc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)ccn1 ZINC000564227458 420438364 /nfs/dbraw/zinc/43/83/64/420438364.db2.gz OBPHWDJBDDKZCA-MNOVXSKESA-N 2 2 261.329 -0.592 20 0 CBADLP Nc1cc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)ccn1 ZINC000564227458 420438368 /nfs/dbraw/zinc/43/83/68/420438368.db2.gz OBPHWDJBDDKZCA-MNOVXSKESA-N 2 2 261.329 -0.592 20 0 CBADLP C[NH+]1CCN(CCNC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000681578796 545049402 /nfs/dbraw/zinc/04/94/02/545049402.db2.gz HKXFTEOXHSVJQO-ZDUSSCGKSA-N 2 2 291.399 -0.191 20 0 CBADLP CC1(C)CN(CC[NH+]2CCOCC2)CC[N@@H+]1CCO ZINC000682033952 545053502 /nfs/dbraw/zinc/05/35/02/545053502.db2.gz BBDDGPNIRIIVBD-UHFFFAOYSA-N 2 2 271.405 -0.293 20 0 CBADLP CC1(C)CN(CC[NH+]2CCOCC2)CC[N@H+]1CCO ZINC000682033952 545053504 /nfs/dbraw/zinc/05/35/04/545053504.db2.gz BBDDGPNIRIIVBD-UHFFFAOYSA-N 2 2 271.405 -0.293 20 0 CBADLP C[NH+]1CCN(C(=O)CN2CC[N@H+](CCO)C(C)(C)C2)CC1 ZINC000682037606 545054150 /nfs/dbraw/zinc/05/41/50/545054150.db2.gz IFICIDIEYCBAKW-UHFFFAOYSA-N 2 2 298.431 -0.851 20 0 CBADLP C[NH+]1CCN(C(=O)CN2CC[N@@H+](CCO)C(C)(C)C2)CC1 ZINC000682037606 545054151 /nfs/dbraw/zinc/05/41/51/545054151.db2.gz IFICIDIEYCBAKW-UHFFFAOYSA-N 2 2 298.431 -0.851 20 0 CBADLP C[C@@H](O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000682501009 545056861 /nfs/dbraw/zinc/05/68/61/545056861.db2.gz ZMLBUPUWRCOHLE-YPMHNXCESA-N 2 2 269.389 -0.006 20 0 CBADLP C[C@@H](O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000682501009 545056862 /nfs/dbraw/zinc/05/68/62/545056862.db2.gz ZMLBUPUWRCOHLE-YPMHNXCESA-N 2 2 269.389 -0.006 20 0 CBADLP C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000682532512 545057790 /nfs/dbraw/zinc/05/77/90/545057790.db2.gz ZEOCWAGWDVZAJD-RISCZKNCSA-N 2 2 278.356 -0.372 20 0 CBADLP C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000682532512 545057791 /nfs/dbraw/zinc/05/77/91/545057791.db2.gz ZEOCWAGWDVZAJD-RISCZKNCSA-N 2 2 278.356 -0.372 20 0 CBADLP C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000682532513 545057807 /nfs/dbraw/zinc/05/78/07/545057807.db2.gz ZEOCWAGWDVZAJD-SMDDNHRTSA-N 2 2 278.356 -0.372 20 0 CBADLP C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000682532513 545057810 /nfs/dbraw/zinc/05/78/10/545057810.db2.gz ZEOCWAGWDVZAJD-SMDDNHRTSA-N 2 2 278.356 -0.372 20 0 CBADLP C[NH2+]C[C@H](C)NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659637667 420442209 /nfs/dbraw/zinc/44/22/09/420442209.db2.gz VKCQMFPZZXDEKA-RYUDHWBXSA-N 2 2 270.377 -0.290 20 0 CBADLP C[NH2+]C[C@H](C)NC(=O)C(=O)NCCCCn1cc[nH+]c1 ZINC000659673386 420446697 /nfs/dbraw/zinc/44/66/97/420446697.db2.gz CHONDERBEBMPQQ-NSHDSACASA-N 2 2 281.360 -0.496 20 0 CBADLP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1cnc(N)s1 ZINC000581191341 420470847 /nfs/dbraw/zinc/47/08/47/420470847.db2.gz WYAVREYBJKPOHG-UHFFFAOYSA-N 2 2 269.374 -0.411 20 0 CBADLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1cnc(N)s1 ZINC000581191341 420470850 /nfs/dbraw/zinc/47/08/50/420470850.db2.gz WYAVREYBJKPOHG-UHFFFAOYSA-N 2 2 269.374 -0.411 20 0 CBADLP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NCCn1cc[nH+]c1 ZINC000659677776 420447967 /nfs/dbraw/zinc/44/79/67/420447967.db2.gz UIJNZZMNTNRVLZ-LLVKDONJSA-N 2 2 281.360 -0.511 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659704407 420452742 /nfs/dbraw/zinc/45/27/42/420452742.db2.gz OGHNJYGEBRZRHJ-NSHDSACASA-N 2 2 293.371 -0.225 20 0 CBADLP [NH3+]C1(CNC(=O)C(=O)NCCCn2cc[nH+]c2)CCCC1 ZINC000659705895 420453259 /nfs/dbraw/zinc/45/32/59/420453259.db2.gz CEMRYGSPWIDALW-UHFFFAOYSA-N 2 2 293.371 -0.223 20 0 CBADLP [NH3+]C1(CNC(=O)C(=O)N2CC[NH+](C3CC3)CC2)CCCC1 ZINC000659733623 420461811 /nfs/dbraw/zinc/46/18/11/420461811.db2.gz FFGSGHKQORUPLY-UHFFFAOYSA-N 2 2 294.399 -0.319 20 0 CBADLP CCN1CC[C@@H]([NH+]2CCC([N@H+](C)CCO)CC2)C1=O ZINC000659897645 420476067 /nfs/dbraw/zinc/47/60/67/420476067.db2.gz ZIVVNJXQOCIDBN-CYBMUJFWSA-N 2 2 269.389 -0.004 20 0 CBADLP CCN1CC[C@@H]([NH+]2CCC([N@@H+](C)CCO)CC2)C1=O ZINC000659897645 420476068 /nfs/dbraw/zinc/47/60/68/420476068.db2.gz ZIVVNJXQOCIDBN-CYBMUJFWSA-N 2 2 269.389 -0.004 20 0 CBADLP O=C1C[C@H](C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)CN1 ZINC000659954948 420478424 /nfs/dbraw/zinc/47/84/24/420478424.db2.gz FHUFQUXTDFSOMS-OLZOCXBDSA-N 2 2 267.373 -0.223 20 0 CBADLP O=C1C[C@H](C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)CN1 ZINC000659954948 420478427 /nfs/dbraw/zinc/47/84/27/420478427.db2.gz FHUFQUXTDFSOMS-OLZOCXBDSA-N 2 2 267.373 -0.223 20 0 CBADLP COC[C@H](C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)OC ZINC000660010474 420480028 /nfs/dbraw/zinc/48/00/28/420480028.db2.gz ASYMWVCMHMVYIU-KBPBESRZSA-N 2 2 299.415 -0.114 20 0 CBADLP COC[C@H](C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)OC ZINC000660010474 420480030 /nfs/dbraw/zinc/48/00/30/420480030.db2.gz ASYMWVCMHMVYIU-KBPBESRZSA-N 2 2 299.415 -0.114 20 0 CBADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](NC(N)=O)C1 ZINC000660150910 420485808 /nfs/dbraw/zinc/48/58/08/420485808.db2.gz VBJAXKJWJRJMDT-WDEREUQCSA-N 2 2 258.366 -0.570 20 0 CBADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](NC(N)=O)C1 ZINC000660150910 420485809 /nfs/dbraw/zinc/48/58/09/420485809.db2.gz VBJAXKJWJRJMDT-WDEREUQCSA-N 2 2 258.366 -0.570 20 0 CBADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](NC(N)=O)C1 ZINC000660150910 420485811 /nfs/dbraw/zinc/48/58/11/420485811.db2.gz VBJAXKJWJRJMDT-WDEREUQCSA-N 2 2 258.366 -0.570 20 0 CBADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](NC(N)=O)C1 ZINC000660150910 420485812 /nfs/dbraw/zinc/48/58/12/420485812.db2.gz VBJAXKJWJRJMDT-WDEREUQCSA-N 2 2 258.366 -0.570 20 0 CBADLP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@H]1C(=O)NCC[C@H]1C ZINC000660477409 420491767 /nfs/dbraw/zinc/49/17/67/420491767.db2.gz JSLHPTJWOTYCDN-UTUOFQBUSA-N 2 2 257.378 -0.198 20 0 CBADLP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1C(=O)NCC[C@H]1C ZINC000660477409 420491769 /nfs/dbraw/zinc/49/17/69/420491769.db2.gz JSLHPTJWOTYCDN-UTUOFQBUSA-N 2 2 257.378 -0.198 20 0 CBADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CCC(=O)N1CC[NH2+]CC1 ZINC000517937578 260322225 /nfs/dbraw/zinc/32/22/25/260322225.db2.gz YGIIMYWGYSMFKN-CYBMUJFWSA-N 3 2 256.394 -0.229 20 0 CBADLP C[NH2+][C@@H](C)C(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000517960745 260326925 /nfs/dbraw/zinc/32/69/25/260326925.db2.gz NRNIMSDHFLZTOL-NSHDSACASA-N 2 2 265.361 -0.328 20 0 CBADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC000518358889 260382572 /nfs/dbraw/zinc/38/25/72/260382572.db2.gz HQAFWPZAQODPFG-CYBMUJFWSA-N 2 2 296.415 -0.392 20 0 CBADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC000518358889 260382574 /nfs/dbraw/zinc/38/25/74/260382574.db2.gz HQAFWPZAQODPFG-CYBMUJFWSA-N 2 2 296.415 -0.392 20 0 CBADLP CCNC(=O)C[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000518358889 260382576 /nfs/dbraw/zinc/38/25/76/260382576.db2.gz HQAFWPZAQODPFG-CYBMUJFWSA-N 2 2 296.415 -0.392 20 0 CBADLP CCNC(=O)C[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000518358889 260382578 /nfs/dbraw/zinc/38/25/78/260382578.db2.gz HQAFWPZAQODPFG-CYBMUJFWSA-N 2 2 296.415 -0.392 20 0 CBADLP C[C@@H](O)C[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000685003696 545079254 /nfs/dbraw/zinc/07/92/54/545079254.db2.gz KYOBFVDXCUPZPC-PWSUYJOCSA-N 2 2 255.362 -0.219 20 0 CBADLP C[C@@H](O)C[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000685003696 545079255 /nfs/dbraw/zinc/07/92/55/545079255.db2.gz KYOBFVDXCUPZPC-PWSUYJOCSA-N 2 2 255.362 -0.219 20 0 CBADLP CC(C)C[C@H](C[NH+](C)C)NC(=O)CN1CC[NH2+]CC1=O ZINC000236753326 269578267 /nfs/dbraw/zinc/57/82/67/269578267.db2.gz SKBOAHZGOJJHBV-GFCCVEGCSA-N 2 2 284.404 -0.489 20 0 CBADLP CNC(=O)NC[C@@H]1C[N@H+](CCc2c[nH+]cn2C)CCO1 ZINC000528628770 269626474 /nfs/dbraw/zinc/62/64/74/269626474.db2.gz MAQHDBIUJODQQB-GFCCVEGCSA-N 2 2 281.360 -0.408 20 0 CBADLP CNC(=O)NC[C@@H]1C[N@@H+](CCc2c[nH+]cn2C)CCO1 ZINC000528628770 269626475 /nfs/dbraw/zinc/62/64/75/269626475.db2.gz MAQHDBIUJODQQB-GFCCVEGCSA-N 2 2 281.360 -0.408 20 0 CBADLP CCn1nncc1C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000530234427 269639646 /nfs/dbraw/zinc/63/96/46/269639646.db2.gz BSQJNSJDVZYWKR-GFCCVEGCSA-N 2 2 253.350 -0.156 20 0 CBADLP C[NH+]1CCN(c2cc(-n3cccn3)nc(N)[nH+]2)CC1 ZINC000268377191 273899522 /nfs/dbraw/zinc/89/95/22/273899522.db2.gz IPZXRCOEWZBHJB-UHFFFAOYSA-N 2 2 259.317 -0.004 20 0 CBADLP CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000423153143 287863108 /nfs/dbraw/zinc/86/31/08/287863108.db2.gz GEYILDXPCIBMIZ-GMTAPVOTSA-N 2 2 263.407 -0.098 20 0 CBADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178969853 276154106 /nfs/dbraw/zinc/15/41/06/276154106.db2.gz BFSPSJRGAYJWGT-ZIAGYGMSSA-N 2 2 280.416 -0.023 20 0 CBADLP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178969853 276154107 /nfs/dbraw/zinc/15/41/07/276154107.db2.gz BFSPSJRGAYJWGT-ZIAGYGMSSA-N 2 2 280.416 -0.023 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2C[C@@H](OC)[C@@H](OC)C2)CC1 ZINC000487977812 276191365 /nfs/dbraw/zinc/19/13/65/276191365.db2.gz CHEFQNUBYNGQQR-MELADBBJSA-N 2 2 299.415 -0.115 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2C[C@@H](OC)[C@@H](OC)C2)CC1 ZINC000487977812 276191366 /nfs/dbraw/zinc/19/13/66/276191366.db2.gz CHEFQNUBYNGQQR-MELADBBJSA-N 2 2 299.415 -0.115 20 0 CBADLP CCN1CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)[C@H](C)C1=O ZINC000338311180 276383851 /nfs/dbraw/zinc/38/38/51/276383851.db2.gz WEYXKWIEXXIPQT-CYBMUJFWSA-N 2 2 296.415 -0.297 20 0 CBADLP CCN1CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)[C@H](C)C1=O ZINC000338311180 276383853 /nfs/dbraw/zinc/38/38/53/276383853.db2.gz WEYXKWIEXXIPQT-CYBMUJFWSA-N 2 2 296.415 -0.297 20 0 CBADLP CC[C@@H](C(=O)NC[C@@](C)(O)C[NH+]1CCOCC1)[NH+](C)C ZINC000125387465 276407315 /nfs/dbraw/zinc/40/73/15/276407315.db2.gz LHEZPVSWHJJRCL-GXTWGEPZSA-N 2 2 287.404 -0.474 20 0 CBADLP C[NH+](C)C[C@@](C)(O)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000284506311 276766940 /nfs/dbraw/zinc/76/69/40/276766940.db2.gz VJAAXRBILXNIDG-ITKZLYELSA-N 2 2 252.318 -0.148 20 0 CBADLP C[C@@H]1CC(=O)NCC[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000685570003 545082170 /nfs/dbraw/zinc/08/21/70/545082170.db2.gz SISNAYVKLUDWCZ-PWSUYJOCSA-N 2 2 255.362 -0.348 20 0 CBADLP C[C@@H]1CC(=O)NCC[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000685570003 545082171 /nfs/dbraw/zinc/08/21/71/545082171.db2.gz SISNAYVKLUDWCZ-PWSUYJOCSA-N 2 2 255.362 -0.348 20 0 CBADLP C[C@@H]1CC(=O)NCC[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000685570003 545082172 /nfs/dbraw/zinc/08/21/72/545082172.db2.gz SISNAYVKLUDWCZ-PWSUYJOCSA-N 2 2 255.362 -0.348 20 0 CBADLP C[C@@H]1CC(=O)NCC[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000685570003 545082173 /nfs/dbraw/zinc/08/21/73/545082173.db2.gz SISNAYVKLUDWCZ-PWSUYJOCSA-N 2 2 255.362 -0.348 20 0 CBADLP Cn1cnc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000685734412 545082670 /nfs/dbraw/zinc/08/26/70/545082670.db2.gz STYQAHDETLKOJI-NSHDSACASA-N 2 2 292.387 -0.287 20 0 CBADLP CC[C@H]([NH3+])C(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000178855530 287925373 /nfs/dbraw/zinc/92/53/73/287925373.db2.gz UNGOQNXJFJLKGA-STQMWFEESA-N 2 2 296.415 -0.121 20 0 CBADLP CNC(=O)[C@@H]1CCC[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000351448023 277007656 /nfs/dbraw/zinc/00/76/56/277007656.db2.gz WDMZZALSUSUPKT-NEPJUHHUSA-N 2 2 255.362 -0.348 20 0 CBADLP CNC(=O)[C@@H]1CCC[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000351448023 277007658 /nfs/dbraw/zinc/00/76/58/277007658.db2.gz WDMZZALSUSUPKT-NEPJUHHUSA-N 2 2 255.362 -0.348 20 0 CBADLP CNC(=O)[C@@H]1CCC[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000351448023 277007659 /nfs/dbraw/zinc/00/76/59/277007659.db2.gz WDMZZALSUSUPKT-NEPJUHHUSA-N 2 2 255.362 -0.348 20 0 CBADLP CNC(=O)[C@@H]1CCC[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351448023 277007660 /nfs/dbraw/zinc/00/76/60/277007660.db2.gz WDMZZALSUSUPKT-NEPJUHHUSA-N 2 2 255.362 -0.348 20 0 CBADLP C[NH2+]CC(=O)N1CC[NH+](C2(C(N)=O)CCCCC2)CC1 ZINC000366329903 277020489 /nfs/dbraw/zinc/02/04/89/277020489.db2.gz ZMRBMIAJFANDOR-UHFFFAOYSA-N 2 2 282.388 -0.462 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000081458497 277118433 /nfs/dbraw/zinc/11/84/33/277118433.db2.gz FRTTXWDNIJYTOM-ZIAGYGMSSA-N 2 2 297.399 -0.502 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000081458497 277118434 /nfs/dbraw/zinc/11/84/34/277118434.db2.gz FRTTXWDNIJYTOM-ZIAGYGMSSA-N 2 2 297.399 -0.502 20 0 CBADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)C2(C)C[NH2+]C2)CC1 ZINC000423447266 277125838 /nfs/dbraw/zinc/12/58/38/277125838.db2.gz UEQQMTFZXMBTAT-UHFFFAOYSA-N 2 2 268.361 -0.996 20 0 CBADLP C[N@@H+]1CC[C@@H]2OCCN(C(=O)[C@H]3CC(F)(F)C[NH2+]3)[C@H]2C1 ZINC000423935064 277151563 /nfs/dbraw/zinc/15/15/63/277151563.db2.gz YDFJFIGVRNKDAP-VWYCJHECSA-N 2 2 289.326 -0.085 20 0 CBADLP C[N@H+]1CC[C@@H]2OCCN(C(=O)[C@H]3CC(F)(F)C[NH2+]3)[C@H]2C1 ZINC000423935064 277151564 /nfs/dbraw/zinc/15/15/64/277151564.db2.gz YDFJFIGVRNKDAP-VWYCJHECSA-N 2 2 289.326 -0.085 20 0 CBADLP CC(C)(C)NC(=O)C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362832114 277166409 /nfs/dbraw/zinc/16/64/09/277166409.db2.gz VTEDTPAENSVYAR-LBPRGKRZSA-N 2 2 296.415 -0.203 20 0 CBADLP CC(C)(C)NC(=O)C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362832114 277166412 /nfs/dbraw/zinc/16/64/12/277166412.db2.gz VTEDTPAENSVYAR-LBPRGKRZSA-N 2 2 296.415 -0.203 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1CCn1cc[nH+]c1C ZINC000226577725 277368081 /nfs/dbraw/zinc/36/80/81/277368081.db2.gz WSFMSYWLLDSYFZ-MNOVXSKESA-N 2 2 253.302 -0.200 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1CCn1cc[nH+]c1C ZINC000226577725 277368082 /nfs/dbraw/zinc/36/80/82/277368082.db2.gz WSFMSYWLLDSYFZ-MNOVXSKESA-N 2 2 253.302 -0.200 20 0 CBADLP CC(C)[C@H]([NH3+])C(=O)N1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000378209724 277903396 /nfs/dbraw/zinc/90/33/96/277903396.db2.gz KZNMFEZDNPNFDA-STQMWFEESA-N 2 2 296.415 -0.217 20 0 CBADLP CC(C)[C@H]([NH3+])CNC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000417018878 277908876 /nfs/dbraw/zinc/90/88/76/277908876.db2.gz FXENIHKEYROUNQ-NWDGAFQWSA-N 2 2 272.393 -0.010 20 0 CBADLP C[C@@H]1[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CCC[N@@H+]1C ZINC000345301550 278103321 /nfs/dbraw/zinc/10/33/21/278103321.db2.gz SVILVGTWJHJCSP-UTUOFQBUSA-N 2 2 255.362 -0.084 20 0 CBADLP C[C@@H]1[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CCC[N@H+]1C ZINC000345301550 278103323 /nfs/dbraw/zinc/10/33/23/278103323.db2.gz SVILVGTWJHJCSP-UTUOFQBUSA-N 2 2 255.362 -0.084 20 0 CBADLP C[C@@H]1[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CCC[NH+]1C ZINC000345301550 278103324 /nfs/dbraw/zinc/10/33/24/278103324.db2.gz SVILVGTWJHJCSP-UTUOFQBUSA-N 2 2 255.362 -0.084 20 0 CBADLP C[C@@H]1[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CCC[NH+]1C ZINC000345301550 278103325 /nfs/dbraw/zinc/10/33/25/278103325.db2.gz SVILVGTWJHJCSP-UTUOFQBUSA-N 2 2 255.362 -0.084 20 0 CBADLP C[C@H](C(=O)N(C)C)[NH+]1CCC(N2CC[N@H+](C)CC2=O)CC1 ZINC000371647310 278133315 /nfs/dbraw/zinc/13/33/15/278133315.db2.gz RUCCETRXEBNTFD-GFCCVEGCSA-N 2 2 296.415 -0.299 20 0 CBADLP C[C@H](C(=O)N(C)C)[NH+]1CCC(N2CC[N@@H+](C)CC2=O)CC1 ZINC000371647310 278133316 /nfs/dbraw/zinc/13/33/16/278133316.db2.gz RUCCETRXEBNTFD-GFCCVEGCSA-N 2 2 296.415 -0.299 20 0 CBADLP C[C@@H](C(=O)N(C)C)[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000420301521 278183066 /nfs/dbraw/zinc/18/30/66/278183066.db2.gz FDVICYVYQWJRDS-RYUDHWBXSA-N 2 2 282.388 -0.641 20 0 CBADLP C[C@@H](C(=O)N(C)C)[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000420301521 278183068 /nfs/dbraw/zinc/18/30/68/278183068.db2.gz FDVICYVYQWJRDS-RYUDHWBXSA-N 2 2 282.388 -0.641 20 0 CBADLP C[C@H](O)C[N@@H+]1CCN(C(=O)NCCn2cc[nH+]c2)C[C@H]1C ZINC000245909199 278291089 /nfs/dbraw/zinc/29/10/89/278291089.db2.gz UXYRFISLTRFYSQ-OLZOCXBDSA-N 2 2 295.387 -0.020 20 0 CBADLP C[C@H](O)C[N@H+]1CCN(C(=O)NCCn2cc[nH+]c2)C[C@H]1C ZINC000245909199 278291091 /nfs/dbraw/zinc/29/10/91/278291091.db2.gz UXYRFISLTRFYSQ-OLZOCXBDSA-N 2 2 295.387 -0.020 20 0 CBADLP C[C@@H](O)C[N@H+](C)C1CC[NH+]([C@H]2COC[C@H]2O)CC1 ZINC000463081283 278392976 /nfs/dbraw/zinc/39/29/76/278392976.db2.gz CWOLGEXWZYTDJU-KGYLQXTDSA-N 2 2 258.362 -0.477 20 0 CBADLP C[C@@H](O)C[N@@H+](C)C1CC[NH+]([C@H]2COC[C@H]2O)CC1 ZINC000463081283 278392978 /nfs/dbraw/zinc/39/29/78/278392978.db2.gz CWOLGEXWZYTDJU-KGYLQXTDSA-N 2 2 258.362 -0.477 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@@H]1CCCN1S(C)(=O)=O ZINC000338215438 288090935 /nfs/dbraw/zinc/09/09/35/288090935.db2.gz ONSPKQQUHHRREM-WOPDTQHZSA-N 2 2 275.418 -0.050 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@@H]1CCCN1S(C)(=O)=O ZINC000338215438 288090937 /nfs/dbraw/zinc/09/09/37/288090937.db2.gz ONSPKQQUHHRREM-WOPDTQHZSA-N 2 2 275.418 -0.050 20 0 CBADLP C[C@@H]1OCC[C@H]1[N@H+](CCO)CC(=O)N1CC[NH+](C)CC1 ZINC000330134355 279051330 /nfs/dbraw/zinc/05/13/30/279051330.db2.gz RXDCEHXQBQVCDG-QWHCGFSZSA-N 2 2 285.388 -0.768 20 0 CBADLP C[C@@H]1OCC[C@H]1[N@@H+](CCO)CC(=O)N1CC[NH+](C)CC1 ZINC000330134355 279051332 /nfs/dbraw/zinc/05/13/32/279051332.db2.gz RXDCEHXQBQVCDG-QWHCGFSZSA-N 2 2 285.388 -0.768 20 0 CBADLP Cn1cc(N2CC[C@H]([NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)C2=O)cn1 ZINC000359306566 279340756 /nfs/dbraw/zinc/34/07/56/279340756.db2.gz MPFPEFYXCCURHJ-GVXVVHGQSA-N 2 2 275.356 -0.323 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000176491633 279353002 /nfs/dbraw/zinc/35/30/02/279353002.db2.gz LFHADTJRVOXHAJ-AWEZNQCLSA-N 2 2 287.404 -0.474 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000176491633 279353003 /nfs/dbraw/zinc/35/30/03/279353003.db2.gz LFHADTJRVOXHAJ-AWEZNQCLSA-N 2 2 287.404 -0.474 20 0 CBADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N2CCNC(=O)C2)[C@@H](C)C1 ZINC000245412498 279397709 /nfs/dbraw/zinc/39/77/09/279397709.db2.gz ARXRWVYODPCKKG-QWHCGFSZSA-N 2 2 296.415 -0.393 20 0 CBADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N2CCNC(=O)C2)[C@@H](C)C1 ZINC000245412498 279397710 /nfs/dbraw/zinc/39/77/10/279397710.db2.gz ARXRWVYODPCKKG-QWHCGFSZSA-N 2 2 296.415 -0.393 20 0 CBADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N2CCNC(=O)C2)[C@@H](C)C1 ZINC000245412498 279397711 /nfs/dbraw/zinc/39/77/11/279397711.db2.gz ARXRWVYODPCKKG-QWHCGFSZSA-N 2 2 296.415 -0.393 20 0 CBADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N2CCNC(=O)C2)[C@@H](C)C1 ZINC000245412498 279397712 /nfs/dbraw/zinc/39/77/12/279397712.db2.gz ARXRWVYODPCKKG-QWHCGFSZSA-N 2 2 296.415 -0.393 20 0 CBADLP C[C@@H]1COCC[C@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000336787924 288370222 /nfs/dbraw/zinc/37/02/22/288370222.db2.gz NGOXMMXFJBMYKT-VXGBXAGGSA-N 2 2 255.362 -0.225 20 0 CBADLP CN1CC[NH+](C[C@@H](O)CNCC2([NH+](C)C)CCC2)CC1 ZINC000516051981 282043274 /nfs/dbraw/zinc/04/32/74/282043274.db2.gz KJJXZIBHTWBHGD-AWEZNQCLSA-N 2 2 284.448 -0.331 20 0 CBADLP CN1C[C@@H](C[NH+]2CCN(C(=O)C[NH+](C)C)CC2)OC1=O ZINC000496540778 282056375 /nfs/dbraw/zinc/05/63/75/282056375.db2.gz WBFIQQGZJYCFLG-NSHDSACASA-N 2 2 284.360 -0.857 20 0 CBADLP C[NH+](C)C1CN(C(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC000338183411 289070224 /nfs/dbraw/zinc/07/02/24/289070224.db2.gz JBEJEMYHADFHKC-UHFFFAOYSA-N 2 2 255.362 -0.130 20 0 CBADLP CN(C)[C@@H](C(=O)NCC[NH+](C)C)c1c[nH+]cn1C ZINC000330582904 289162661 /nfs/dbraw/zinc/16/26/61/289162661.db2.gz KFDBWFLGLFMLEM-LLVKDONJSA-N 2 2 253.350 -0.299 20 0 CBADLP CN(C)[C@@H](C(=O)N1CC[NH+](C)CC1)c1c[nH+]cn1C ZINC000281250944 289271843 /nfs/dbraw/zinc/27/18/43/289271843.db2.gz UNQFIJUWJIKCKC-GFCCVEGCSA-N 2 2 265.361 -0.203 20 0 CBADLP C[C@H](C(=O)N1CC[C@@H]([N@H+](C)CCO)[C@H]1C)[NH+]1CCOCC1 ZINC000330706480 289297994 /nfs/dbraw/zinc/29/79/94/289297994.db2.gz LIZGLNSGJKMDET-MGPQQGTHSA-N 2 2 299.415 -0.379 20 0 CBADLP C[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CCO)[C@H]1C)[NH+]1CCOCC1 ZINC000330706480 289297997 /nfs/dbraw/zinc/29/79/97/289297997.db2.gz LIZGLNSGJKMDET-MGPQQGTHSA-N 2 2 299.415 -0.379 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000372993548 289340498 /nfs/dbraw/zinc/34/04/98/289340498.db2.gz SSCNRQYSLAXRPV-ZJUUUORDSA-N 2 2 256.350 -0.014 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000372993548 289340499 /nfs/dbraw/zinc/34/04/99/289340499.db2.gz SSCNRQYSLAXRPV-ZJUUUORDSA-N 2 2 256.350 -0.014 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246225258 289341043 /nfs/dbraw/zinc/34/10/43/289341043.db2.gz RJLJBTXITXWSMS-MNOVXSKESA-N 2 2 268.361 -0.013 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246225258 289341044 /nfs/dbraw/zinc/34/10/44/289341044.db2.gz RJLJBTXITXWSMS-MNOVXSKESA-N 2 2 268.361 -0.013 20 0 CBADLP C[NH+]1CCN(C(=O)CN2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000071382205 290012207 /nfs/dbraw/zinc/01/22/07/290012207.db2.gz HMMDXHYTXWQAGB-UHFFFAOYSA-N 2 2 298.431 -0.851 20 0 CBADLP [NH3+][C@@H]1C[C@@H]1C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000424132885 295324569 /nfs/dbraw/zinc/32/45/69/295324569.db2.gz LALHEKSZZGHEKC-GRYCIOLGSA-N 2 2 253.346 -0.343 20 0 CBADLP C[C@H](C(=O)NC(=O)NC1CC1)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359294303 298123383 /nfs/dbraw/zinc/12/33/83/298123383.db2.gz BOIJZNBLBSBQHD-UTLUCORTSA-N 2 2 266.345 -0.486 20 0 CBADLP O=C(CC[NH+]1CCN(c2[nH]cc[nH+]2)CC1)N1CCOCC1 ZINC000580147107 327710477 /nfs/dbraw/zinc/71/04/77/327710477.db2.gz KDSWDUQFLRWHOV-UHFFFAOYSA-N 2 2 293.371 -0.219 20 0 CBADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000563210621 327965367 /nfs/dbraw/zinc/96/53/67/327965367.db2.gz DPYWFLMOTMUMCA-AOOOYVTPSA-N 2 2 268.361 -0.868 20 0 CBADLP COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000563348066 328056594 /nfs/dbraw/zinc/05/65/94/328056594.db2.gz HCPIPOLETONONS-AXFHLTTASA-N 2 2 286.376 -0.341 20 0 CBADLP COC[C@H](C)NC(=O)NC(=O)C[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000563348066 328056597 /nfs/dbraw/zinc/05/65/97/328056597.db2.gz HCPIPOLETONONS-AXFHLTTASA-N 2 2 286.376 -0.341 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+](C)CCN1CCCC1=O ZINC000563358070 328056015 /nfs/dbraw/zinc/05/60/15/328056015.db2.gz VVHLBOSOULFPNX-LBPRGKRZSA-N 2 2 257.378 -0.147 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)CCN1CCCC1=O ZINC000563358070 328056017 /nfs/dbraw/zinc/05/60/17/328056017.db2.gz VVHLBOSOULFPNX-LBPRGKRZSA-N 2 2 257.378 -0.147 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@H+](C)CCN1CCCC1=O ZINC000563358070 328056018 /nfs/dbraw/zinc/05/60/18/328056018.db2.gz VVHLBOSOULFPNX-LBPRGKRZSA-N 2 2 257.378 -0.147 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)CCN1CCCC1=O ZINC000563358070 328056020 /nfs/dbraw/zinc/05/60/20/328056020.db2.gz VVHLBOSOULFPNX-LBPRGKRZSA-N 2 2 257.378 -0.147 20 0 CBADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)[NH2+]C)CC1 ZINC000563410239 328064326 /nfs/dbraw/zinc/06/43/26/328064326.db2.gz FYNXCZKSYCEKHO-NSHDSACASA-N 2 2 270.377 -0.735 20 0 CBADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C)[NH2+]C)CC1 ZINC000563410239 328064328 /nfs/dbraw/zinc/06/43/28/328064328.db2.gz FYNXCZKSYCEKHO-NSHDSACASA-N 2 2 270.377 -0.735 20 0 CBADLP CCOC(=O)[C@H](CC)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000563439557 328065603 /nfs/dbraw/zinc/06/56/03/328065603.db2.gz GUJVNQRHIAQFTQ-DCAQKATOSA-N 2 2 269.345 -0.428 20 0 CBADLP CCOC(=O)[C@H](CC)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000563439557 328065604 /nfs/dbraw/zinc/06/56/04/328065604.db2.gz GUJVNQRHIAQFTQ-DCAQKATOSA-N 2 2 269.345 -0.428 20 0 CBADLP C[NH2+]CCNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000563451298 328066256 /nfs/dbraw/zinc/06/62/56/328066256.db2.gz ZCHSNPRMKFXNCN-UHFFFAOYSA-N 2 2 261.285 -0.392 20 0 CBADLP Cc1[nH+]ccn1CCC[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000563444002 328067085 /nfs/dbraw/zinc/06/70/85/328067085.db2.gz ZYLIKEGNSQOBAZ-OLZOCXBDSA-N 3 2 277.372 -0.175 20 0 CBADLP Cc1[nH+]ccn1CCC[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000563444002 328067087 /nfs/dbraw/zinc/06/70/87/328067087.db2.gz ZYLIKEGNSQOBAZ-OLZOCXBDSA-N 3 2 277.372 -0.175 20 0 CBADLP CC[NH+](CC)CCNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000563529462 328071999 /nfs/dbraw/zinc/07/19/99/328071999.db2.gz LKMUUMXQJXPYFR-LBPRGKRZSA-N 3 2 271.409 -0.388 20 0 CBADLP CC[NH+](CC)CCNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000563529462 328072001 /nfs/dbraw/zinc/07/20/01/328072001.db2.gz LKMUUMXQJXPYFR-LBPRGKRZSA-N 3 2 271.409 -0.388 20 0 CBADLP C[N@@H+]1CCN(C(=O)NCC[C@@H]2CCC[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000563599318 328076367 /nfs/dbraw/zinc/07/63/67/328076367.db2.gz VGHWGZTYAKLIJO-STQMWFEESA-N 3 2 283.420 -0.340 20 0 CBADLP C[N@H+]1CCN(C(=O)NCC[C@@H]2CCC[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000563599318 328076369 /nfs/dbraw/zinc/07/63/69/328076369.db2.gz VGHWGZTYAKLIJO-STQMWFEESA-N 3 2 283.420 -0.340 20 0 CBADLP C[N@@H+]1CCN(C(=O)NCC[C@@H]2CCC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000563599317 328076384 /nfs/dbraw/zinc/07/63/84/328076384.db2.gz VGHWGZTYAKLIJO-QWHCGFSZSA-N 3 2 283.420 -0.340 20 0 CBADLP C[N@H+]1CCN(C(=O)NCC[C@@H]2CCC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000563599317 328076386 /nfs/dbraw/zinc/07/63/86/328076386.db2.gz VGHWGZTYAKLIJO-QWHCGFSZSA-N 3 2 283.420 -0.340 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000563619953 328077331 /nfs/dbraw/zinc/07/73/31/328077331.db2.gz DSUQIIHWWKIGPI-CHWSQXEVSA-N 2 2 296.415 -0.489 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000563619953 328077332 /nfs/dbraw/zinc/07/73/32/328077332.db2.gz DSUQIIHWWKIGPI-CHWSQXEVSA-N 2 2 296.415 -0.489 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000571162929 328089323 /nfs/dbraw/zinc/08/93/23/328089323.db2.gz OILWPMGRKFGHDS-RYUDHWBXSA-N 2 2 284.404 -0.362 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000571162929 328089325 /nfs/dbraw/zinc/08/93/25/328089325.db2.gz OILWPMGRKFGHDS-RYUDHWBXSA-N 2 2 284.404 -0.362 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1cn[nH]c1 ZINC000571222411 328093128 /nfs/dbraw/zinc/09/31/28/328093128.db2.gz MYPHVNLODLHDKO-PWSUYJOCSA-N 2 2 256.350 -0.001 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1cn[nH]c1 ZINC000571222411 328093130 /nfs/dbraw/zinc/09/31/30/328093130.db2.gz MYPHVNLODLHDKO-PWSUYJOCSA-N 2 2 256.350 -0.001 20 0 CBADLP C[C@@H]1CCCCN1C(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000571344567 328113585 /nfs/dbraw/zinc/11/35/85/328113585.db2.gz ULZLAGMCEPTCGS-FRRDWIJNSA-N 2 2 294.399 -0.369 20 0 CBADLP C[C@@H]1CCCCN1C(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000571344567 328113587 /nfs/dbraw/zinc/11/35/87/328113587.db2.gz ULZLAGMCEPTCGS-FRRDWIJNSA-N 2 2 294.399 -0.369 20 0 CBADLP C[C@@H](CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])[NH+](C)C1CC1 ZINC000584340473 328127744 /nfs/dbraw/zinc/12/77/44/328127744.db2.gz GEGHIJVUTWKNLL-AAEUAGOBSA-N 3 2 283.420 -0.247 20 0 CBADLP C[C@@H](CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])[NH+](C)C1CC1 ZINC000584340473 328127746 /nfs/dbraw/zinc/12/77/46/328127746.db2.gz GEGHIJVUTWKNLL-AAEUAGOBSA-N 3 2 283.420 -0.247 20 0 CBADLP C[C@@H](CNC(=O)N1CC[NH+](C)C[C@@H]1C[NH3+])[N@H+](C)C1CC1 ZINC000584340473 328127747 /nfs/dbraw/zinc/12/77/47/328127747.db2.gz GEGHIJVUTWKNLL-AAEUAGOBSA-N 3 2 283.420 -0.247 20 0 CBADLP C[C@@H](CNC(=O)N1CC[NH+](C)C[C@@H]1C[NH3+])[N@@H+](C)C1CC1 ZINC000584340473 328127749 /nfs/dbraw/zinc/12/77/49/328127749.db2.gz GEGHIJVUTWKNLL-AAEUAGOBSA-N 3 2 283.420 -0.247 20 0 CBADLP C[NH+](C)C1CC[NH+](CCNC(=O)C2(C)C[NH2+]C2)CC1 ZINC000571566281 328135579 /nfs/dbraw/zinc/13/55/79/328135579.db2.gz PWOPKTDMPBEWGA-UHFFFAOYSA-N 3 2 268.405 -0.262 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)[C@H]1CO ZINC000394107741 329099992 /nfs/dbraw/zinc/09/99/92/329099992.db2.gz DXEOJMHACFWXKN-FRRDWIJNSA-N 2 2 260.378 -0.372 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)[C@H]1CO ZINC000394107741 329099994 /nfs/dbraw/zinc/09/99/94/329099994.db2.gz DXEOJMHACFWXKN-FRRDWIJNSA-N 2 2 260.378 -0.372 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](C)[C@H]1CO ZINC000394107741 329099996 /nfs/dbraw/zinc/09/99/96/329099996.db2.gz DXEOJMHACFWXKN-FRRDWIJNSA-N 2 2 260.378 -0.372 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](C)[C@H]1CO ZINC000394107741 329099997 /nfs/dbraw/zinc/09/99/97/329099997.db2.gz DXEOJMHACFWXKN-FRRDWIJNSA-N 2 2 260.378 -0.372 20 0 CBADLP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000583565261 328616097 /nfs/dbraw/zinc/61/60/97/328616097.db2.gz XOGWRVIOOXEFRK-MNOVXSKESA-N 2 2 281.360 -0.369 20 0 CBADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)[C@@H](C)[NH3+])CC1 ZINC000568867214 327020811 /nfs/dbraw/zinc/02/08/11/327020811.db2.gz PAYRTEMBKFZXMY-VXGBXAGGSA-N 2 2 284.404 -0.360 20 0 CBADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C)[C@@H](C)[NH3+])CC1 ZINC000568867214 327020812 /nfs/dbraw/zinc/02/08/12/327020812.db2.gz PAYRTEMBKFZXMY-VXGBXAGGSA-N 2 2 284.404 -0.360 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000558645004 327111943 /nfs/dbraw/zinc/11/19/43/327111943.db2.gz KKPQALNHFJDMBL-UHFFFAOYSA-N 2 2 274.328 -0.049 20 0 CBADLP CC(C)(C)NC(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000573267557 327131033 /nfs/dbraw/zinc/13/10/33/327131033.db2.gz LRSRDIIHDMZWRX-VHSXEESVSA-N 2 2 268.361 -0.855 20 0 CBADLP CC(C)(C)NC(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000573267557 327131034 /nfs/dbraw/zinc/13/10/34/327131034.db2.gz LRSRDIIHDMZWRX-VHSXEESVSA-N 2 2 268.361 -0.855 20 0 CBADLP CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H](C[NH3+])C2)C1 ZINC000569487333 327185406 /nfs/dbraw/zinc/18/54/06/327185406.db2.gz VWQJFKCWTJDHOA-ZIAGYGMSSA-N 2 2 296.415 -0.216 20 0 CBADLP CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@H](C[NH3+])C2)C1 ZINC000569487333 327185407 /nfs/dbraw/zinc/18/54/07/327185407.db2.gz VWQJFKCWTJDHOA-ZIAGYGMSSA-N 2 2 296.415 -0.216 20 0 CBADLP C[N@H+](C[C@@H](O)C[NH3+])C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000582122803 327220079 /nfs/dbraw/zinc/22/00/79/327220079.db2.gz ASLLSKZPAWNXCI-IHRRRGAJSA-N 3 2 267.373 -0.831 20 0 CBADLP C[N@@H+](C[C@@H](O)C[NH3+])C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000582122803 327220081 /nfs/dbraw/zinc/22/00/81/327220081.db2.gz ASLLSKZPAWNXCI-IHRRRGAJSA-N 3 2 267.373 -0.831 20 0 CBADLP Cn1cc[nH+]c1CN1CCN(C(=O)[C@H]2CSC[NH2+]2)CC1 ZINC000566250523 327261453 /nfs/dbraw/zinc/26/14/53/327261453.db2.gz AVCGLIFCGDDHQI-LLVKDONJSA-N 2 2 295.412 -0.273 20 0 CBADLP CCN(CC)C(=O)[C@H](C)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000574292610 327311345 /nfs/dbraw/zinc/31/13/45/327311345.db2.gz OZDCKNFPXXOURW-SRVKXCTJSA-N 2 2 282.388 -0.513 20 0 CBADLP CCN(CC)C(=O)[C@H](C)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000574292610 327311346 /nfs/dbraw/zinc/31/13/46/327311346.db2.gz OZDCKNFPXXOURW-SRVKXCTJSA-N 2 2 282.388 -0.513 20 0 CBADLP CC[C@@H]1C[N@H+](CCNC(=O)NC2C[NH2+]C2)CCO1 ZINC000583371531 327328510 /nfs/dbraw/zinc/32/85/10/327328510.db2.gz VFCIZZLCUKQJIM-LLVKDONJSA-N 2 2 256.350 -0.632 20 0 CBADLP CC[C@@H]1C[N@@H+](CCNC(=O)NC2C[NH2+]C2)CCO1 ZINC000583371531 327328512 /nfs/dbraw/zinc/32/85/12/327328512.db2.gz VFCIZZLCUKQJIM-LLVKDONJSA-N 2 2 256.350 -0.632 20 0 CBADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](CC(=O)N3CCCCC3)CCN2C1=O ZINC000583392799 327340745 /nfs/dbraw/zinc/34/07/45/327340745.db2.gz QFOSXPVBDBIOBO-NWDGAFQWSA-N 2 2 280.372 -0.757 20 0 CBADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)C[NH2+]C2CC2)CC1 ZINC000564996767 327351615 /nfs/dbraw/zinc/35/16/15/327351615.db2.gz YHVLBSUIJKYIHE-UHFFFAOYSA-N 2 2 282.388 -0.591 20 0 CBADLP CCNC(=O)C[N@H+]1CCCN(C(=O)C[NH2+]C2CC2)CC1 ZINC000564996767 327351616 /nfs/dbraw/zinc/35/16/16/327351616.db2.gz YHVLBSUIJKYIHE-UHFFFAOYSA-N 2 2 282.388 -0.591 20 0 CBADLP C[C@H]1CC[N@H+](CC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)C1 ZINC000574582610 327353035 /nfs/dbraw/zinc/35/30/35/327353035.db2.gz JSMLVAAJDXNPOY-ZFWWWQNUSA-N 2 2 299.415 -0.472 20 0 CBADLP C[C@H]1CC[N@@H+](CC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)C1 ZINC000574582610 327353037 /nfs/dbraw/zinc/35/30/37/327353037.db2.gz JSMLVAAJDXNPOY-ZFWWWQNUSA-N 2 2 299.415 -0.472 20 0 CBADLP C[NH2+]C[C@@](C)(O)C[NH+]1CCN(Cc2nccn2C)CC1 ZINC000574881056 327391362 /nfs/dbraw/zinc/39/13/62/327391362.db2.gz ARPFYCVNRDKUCV-CQSZACIVSA-N 2 2 281.404 -0.492 20 0 CBADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CC2(CC(N)=O)CC2)C[C@@H](C)O1 ZINC000564724175 327430935 /nfs/dbraw/zinc/43/09/35/327430935.db2.gz XSBKUHSYYZHQIH-JHJVBQTASA-N 2 2 299.415 -0.298 20 0 CBADLP CN(CCC[NH+](C)C)C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000562689643 327504906 /nfs/dbraw/zinc/50/49/06/327504906.db2.gz OFDJXTDCICRTQM-UHFFFAOYSA-N 2 2 270.377 -0.830 20 0 CBADLP [NH3+]CC(F)(F)CC(=O)NCCC[NH+]1CCOCC1 ZINC000583700542 329073467 /nfs/dbraw/zinc/07/34/67/329073467.db2.gz KRYBQKFBLCICCE-UHFFFAOYSA-N 2 2 265.304 -0.191 20 0 CBADLP CC[C@]1(O)CC[N@H+](C[C@@H](O)C[NH+](C)CCOC)C1 ZINC000582614669 329117475 /nfs/dbraw/zinc/11/74/75/329117475.db2.gz HTVRJXGKHYIFAV-STQMWFEESA-N 2 2 260.378 -0.228 20 0 CBADLP CC[C@]1(O)CC[N@@H+](C[C@@H](O)C[NH+](C)CCOC)C1 ZINC000582614669 329117477 /nfs/dbraw/zinc/11/74/77/329117477.db2.gz HTVRJXGKHYIFAV-STQMWFEESA-N 2 2 260.378 -0.228 20 0 CBADLP CC[C@]1(O)CC[NH+](C[C@@H](O)C[N@H+](C)CCOC)C1 ZINC000582614669 329117478 /nfs/dbraw/zinc/11/74/78/329117478.db2.gz HTVRJXGKHYIFAV-STQMWFEESA-N 2 2 260.378 -0.228 20 0 CBADLP CC[C@]1(O)CC[NH+](C[C@@H](O)C[N@@H+](C)CCOC)C1 ZINC000582614669 329117480 /nfs/dbraw/zinc/11/74/80/329117480.db2.gz HTVRJXGKHYIFAV-STQMWFEESA-N 2 2 260.378 -0.228 20 0 CBADLP C[NH+](C)C[C@H]1CN(C(=O)[C@H]([NH3+])c2cscn2)CCO1 ZINC000582724415 329130821 /nfs/dbraw/zinc/13/08/21/329130821.db2.gz SSXFZNYZRXVZPQ-GXSJLCMTSA-N 2 2 284.385 -0.068 20 0 CBADLP C[NH2+][C@@H](C)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000582735299 329133789 /nfs/dbraw/zinc/13/37/89/329133789.db2.gz FQQDDTGEUXNYDG-RYUDHWBXSA-N 2 2 255.362 -0.083 20 0 CBADLP Cc1csc(=O)n1CC[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000582856404 329281150 /nfs/dbraw/zinc/28/11/50/329281150.db2.gz ADQDOJIHARYNEI-GHMZBOCLSA-N 2 2 296.396 -0.538 20 0 CBADLP Cc1csc(=O)n1CC[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000582856404 329281151 /nfs/dbraw/zinc/28/11/51/329281151.db2.gz ADQDOJIHARYNEI-GHMZBOCLSA-N 2 2 296.396 -0.538 20 0 CBADLP C[N@@H+]1CCN(C(=O)NC[C@@H]2CCC[NH2+]2)[C@H](C[NH3+])C1 ZINC000582894795 329282222 /nfs/dbraw/zinc/28/22/22/329282222.db2.gz POCXMSLSSWLTAH-WDEREUQCSA-N 3 2 255.366 -0.977 20 0 CBADLP C[N@H+]1CCN(C(=O)NC[C@@H]2CCC[NH2+]2)[C@H](C[NH3+])C1 ZINC000582894795 329282223 /nfs/dbraw/zinc/28/22/23/329282223.db2.gz POCXMSLSSWLTAH-WDEREUQCSA-N 3 2 255.366 -0.977 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](n2ccnn2)C1 ZINC000582973437 329296987 /nfs/dbraw/zinc/29/69/87/329296987.db2.gz ZBJSGDNCNJSMGM-UONOGXRCSA-N 2 2 297.403 -0.146 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](n2ccnn2)C1 ZINC000582973437 329296989 /nfs/dbraw/zinc/29/69/89/329296989.db2.gz ZBJSGDNCNJSMGM-UONOGXRCSA-N 2 2 297.403 -0.146 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000582973437 329296991 /nfs/dbraw/zinc/29/69/91/329296991.db2.gz ZBJSGDNCNJSMGM-UONOGXRCSA-N 2 2 297.403 -0.146 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000582973437 329296992 /nfs/dbraw/zinc/29/69/92/329296992.db2.gz ZBJSGDNCNJSMGM-UONOGXRCSA-N 2 2 297.403 -0.146 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCSC[C@H]1CCO ZINC000583211768 329368075 /nfs/dbraw/zinc/36/80/75/329368075.db2.gz GCBIJTDGRCXREW-CHWSQXEVSA-N 2 2 292.445 -0.275 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCSC[C@H]1CCO ZINC000583211768 329368076 /nfs/dbraw/zinc/36/80/76/329368076.db2.gz GCBIJTDGRCXREW-CHWSQXEVSA-N 2 2 292.445 -0.275 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCSC[C@H]1CCO ZINC000583211768 329368077 /nfs/dbraw/zinc/36/80/77/329368077.db2.gz GCBIJTDGRCXREW-CHWSQXEVSA-N 2 2 292.445 -0.275 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCSC[C@@H]1CCO ZINC000583211868 329368133 /nfs/dbraw/zinc/36/81/33/329368133.db2.gz GCBIJTDGRCXREW-QWHCGFSZSA-N 2 2 292.445 -0.275 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCSC[C@@H]1CCO ZINC000583211868 329368134 /nfs/dbraw/zinc/36/81/34/329368134.db2.gz GCBIJTDGRCXREW-QWHCGFSZSA-N 2 2 292.445 -0.275 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCSC[C@@H]1CCO ZINC000583211868 329368135 /nfs/dbraw/zinc/36/81/35/329368135.db2.gz GCBIJTDGRCXREW-QWHCGFSZSA-N 2 2 292.445 -0.275 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1CC(=O)OC ZINC000572374436 330021226 /nfs/dbraw/zinc/02/12/26/330021226.db2.gz OCIJLWPKDZOTJZ-OLZOCXBDSA-N 2 2 288.388 -0.047 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1CC(=O)OC ZINC000572374436 330021228 /nfs/dbraw/zinc/02/12/28/330021228.db2.gz OCIJLWPKDZOTJZ-OLZOCXBDSA-N 2 2 288.388 -0.047 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]1CC(=O)OC ZINC000572374436 330021230 /nfs/dbraw/zinc/02/12/30/330021230.db2.gz OCIJLWPKDZOTJZ-OLZOCXBDSA-N 2 2 288.388 -0.047 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]1CC(=O)OC ZINC000572374436 330021231 /nfs/dbraw/zinc/02/12/31/330021231.db2.gz OCIJLWPKDZOTJZ-OLZOCXBDSA-N 2 2 288.388 -0.047 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1CC(=O)OC ZINC000572374437 330021333 /nfs/dbraw/zinc/02/13/33/330021333.db2.gz OCIJLWPKDZOTJZ-QWHCGFSZSA-N 2 2 288.388 -0.047 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1CC(=O)OC ZINC000572374437 330021335 /nfs/dbraw/zinc/02/13/35/330021335.db2.gz OCIJLWPKDZOTJZ-QWHCGFSZSA-N 2 2 288.388 -0.047 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H]1CC(=O)OC ZINC000572374437 330021336 /nfs/dbraw/zinc/02/13/36/330021336.db2.gz OCIJLWPKDZOTJZ-QWHCGFSZSA-N 2 2 288.388 -0.047 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H]1CC(=O)OC ZINC000572374437 330021337 /nfs/dbraw/zinc/02/13/37/330021337.db2.gz OCIJLWPKDZOTJZ-QWHCGFSZSA-N 2 2 288.388 -0.047 20 0 CBADLP [NH3+]C[C@H]1CN(CCC[NH+]2CCOCC2)CCCO1 ZINC000572410380 330064412 /nfs/dbraw/zinc/06/44/12/330064412.db2.gz YHCNWGMBXUNHJO-ZDUSSCGKSA-N 2 2 257.378 -0.242 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CC2(CO)COC2)CC1 ZINC000162635162 330090359 /nfs/dbraw/zinc/09/03/59/330090359.db2.gz FCPGFHVWBSVATF-ZDUSSCGKSA-N 2 2 297.399 -0.766 20 0 CBADLP C[N@@H+]1CCO[C@@H](CNC(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000332971042 330128061 /nfs/dbraw/zinc/12/80/61/330128061.db2.gz AIMREAXVBBNWFD-NEPJUHHUSA-N 2 2 293.371 -0.172 20 0 CBADLP C[N@H+]1CCO[C@@H](CNC(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000332971042 330128063 /nfs/dbraw/zinc/12/80/63/330128063.db2.gz AIMREAXVBBNWFD-NEPJUHHUSA-N 2 2 293.371 -0.172 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)CC[NH2+]C2CC2)CCO1 ZINC000575329475 335094783 /nfs/dbraw/zinc/09/47/83/335094783.db2.gz INDUXCKWLYUQCZ-NSHDSACASA-N 2 2 255.362 -0.035 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)CC[NH2+]C2CC2)CCO1 ZINC000575329475 335094784 /nfs/dbraw/zinc/09/47/84/335094784.db2.gz INDUXCKWLYUQCZ-NSHDSACASA-N 2 2 255.362 -0.035 20 0 CBADLP COC(=O)[C@H]1CC[C@@H](NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])C1 ZINC000580532979 335107737 /nfs/dbraw/zinc/10/77/37/335107737.db2.gz XHFIRZGHHZGQLS-TUAOUCFPSA-N 2 2 298.387 -0.388 20 0 CBADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)C1(C)C[NH2+]C1 ZINC000575745134 335111074 /nfs/dbraw/zinc/11/10/74/335111074.db2.gz IANHVIKAEROWBO-NSHDSACASA-N 2 2 254.378 -0.652 20 0 CBADLP [NH3+][C@@H]1C[C@@H]2CN(C(=O)c3ccc4[nH+]ccn4c3)CCN2C1=O ZINC000568901552 334845959 /nfs/dbraw/zinc/84/59/59/334845959.db2.gz AOYJINNKLWXXEX-VXGBXAGGSA-N 2 2 299.334 -0.282 20 0 CBADLP COC[C@H](C)OC[C@H](O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000575999705 335140360 /nfs/dbraw/zinc/14/03/60/335140360.db2.gz KZBAIPGWIQPCHQ-QWHCGFSZSA-N 2 2 298.387 -0.056 20 0 CBADLP O=C(N[C@H]1CCC[NH2+]C1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000576212193 335170503 /nfs/dbraw/zinc/17/05/03/335170503.db2.gz HJTHYAYUVLRQKW-LBPRGKRZSA-N 2 2 292.387 -0.011 20 0 CBADLP CC[NH+](CC)C[C@@H](C)NC[C@@H](O)C[NH+]1CCN(C)CC1 ZINC000576220067 335172238 /nfs/dbraw/zinc/17/22/38/335172238.db2.gz BRYZDSNVPWBRIL-HUUCEWRRSA-N 2 2 286.464 -0.085 20 0 CBADLP CC[NH+](CC)C[C@@H](C)NC[C@@H](O)CN1CC[NH+](C)CC1 ZINC000576220067 335172240 /nfs/dbraw/zinc/17/22/40/335172240.db2.gz BRYZDSNVPWBRIL-HUUCEWRRSA-N 2 2 286.464 -0.085 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)CCNC(=O)N(C)C ZINC000564344728 334148211 /nfs/dbraw/zinc/14/82/11/334148211.db2.gz VUWQLROSNZGPKI-LBPRGKRZSA-N 2 2 290.408 -0.872 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)CCNC(=O)N(C)C ZINC000564344728 334148212 /nfs/dbraw/zinc/14/82/12/334148212.db2.gz VUWQLROSNZGPKI-LBPRGKRZSA-N 2 2 290.408 -0.872 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)CCNC(=O)N(C)C ZINC000564344728 334148214 /nfs/dbraw/zinc/14/82/14/334148214.db2.gz VUWQLROSNZGPKI-LBPRGKRZSA-N 2 2 290.408 -0.872 20 0 CBADLP O=C(NC[C@H]1C[NH2+]CCO1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000564956380 334530290 /nfs/dbraw/zinc/53/02/90/334530290.db2.gz KINBLZHUNSNAGM-GFCCVEGCSA-N 2 2 287.323 -0.015 20 0 CBADLP O=C(NCc1ccn2cc[nH+]c2c1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000566511335 334653746 /nfs/dbraw/zinc/65/37/46/334653746.db2.gz PEAOVWIZHYXEOO-NSHDSACASA-N 2 2 287.323 -0.571 20 0 CBADLP [NH3+]C1CCC(OCC(=O)NCC[NH+]2CCOCC2)CC1 ZINC000568385766 334821655 /nfs/dbraw/zinc/82/16/55/334821655.db2.gz RKWRXYSXXUGGEE-UHFFFAOYSA-N 2 2 285.388 -0.279 20 0 CBADLP CN1C[C@@H]([N@H+](C)C[C@H](O)C[NH+](C)C2CC2)CCC1=O ZINC000576475318 335209238 /nfs/dbraw/zinc/20/92/38/335209238.db2.gz BRHXRMOFWVZNMO-QWHCGFSZSA-N 2 2 269.389 -0.006 20 0 CBADLP CN1C[C@@H]([N@@H+](C)C[C@H](O)C[NH+](C)C2CC2)CCC1=O ZINC000576475318 335209240 /nfs/dbraw/zinc/20/92/40/335209240.db2.gz BRHXRMOFWVZNMO-QWHCGFSZSA-N 2 2 269.389 -0.006 20 0 CBADLP CN1C[C@@H]([NH+](C)C[C@H](O)C[N@H+](C)C2CC2)CCC1=O ZINC000576475318 335209241 /nfs/dbraw/zinc/20/92/41/335209241.db2.gz BRHXRMOFWVZNMO-QWHCGFSZSA-N 2 2 269.389 -0.006 20 0 CBADLP CN1C[C@@H]([NH+](C)C[C@H](O)C[N@@H+](C)C2CC2)CCC1=O ZINC000576475318 335209243 /nfs/dbraw/zinc/20/92/43/335209243.db2.gz BRHXRMOFWVZNMO-QWHCGFSZSA-N 2 2 269.389 -0.006 20 0 CBADLP C[C@H](CNC(=O)CN1CC[NH2+]CC1=O)[NH+]1CCCC1 ZINC000576581164 335221663 /nfs/dbraw/zinc/22/16/63/335221663.db2.gz BGCFGKMZLXGMFO-LLVKDONJSA-N 2 2 268.361 -0.981 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH2+]C1(C(=O)N(C)C)CC1 ZINC000576596524 335224344 /nfs/dbraw/zinc/22/43/44/335224344.db2.gz VRWITUGISSVILP-LLVKDONJSA-N 2 2 273.377 -0.864 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH2+]C1(C(=O)N(C)C)CC1 ZINC000576596527 335224593 /nfs/dbraw/zinc/22/45/93/335224593.db2.gz VRWITUGISSVILP-NSHDSACASA-N 2 2 273.377 -0.864 20 0 CBADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000576627190 335227517 /nfs/dbraw/zinc/22/75/17/335227517.db2.gz QVUDMAVIUOVAFY-MNOVXSKESA-N 2 2 268.361 -0.996 20 0 CBADLP CC[C@H](C)NC(=O)CCNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000576807511 335249811 /nfs/dbraw/zinc/24/98/11/335249811.db2.gz ZHGIZZVZJARXJH-NWDGAFQWSA-N 2 2 299.419 -0.425 20 0 CBADLP COCCCS(=O)(=O)NCC[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000576954545 335269425 /nfs/dbraw/zinc/26/94/25/335269425.db2.gz RHUBTBWRMQSQRR-NWDGAFQWSA-N 2 2 293.433 -0.246 20 0 CBADLP COCCCS(=O)(=O)NCC[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000576954545 335269426 /nfs/dbraw/zinc/26/94/26/335269426.db2.gz RHUBTBWRMQSQRR-NWDGAFQWSA-N 2 2 293.433 -0.246 20 0 CBADLP CC[C@@H]1C[N@H+](C)CCN1CC(=O)N1CC[NH+](C)CC1 ZINC000577099267 335299875 /nfs/dbraw/zinc/29/98/75/335299875.db2.gz JWWXCFSWHDLTQO-CYBMUJFWSA-N 2 2 268.405 -0.214 20 0 CBADLP CC[C@@H]1C[N@@H+](C)CCN1CC(=O)N1CC[NH+](C)CC1 ZINC000577099267 335299877 /nfs/dbraw/zinc/29/98/77/335299877.db2.gz JWWXCFSWHDLTQO-CYBMUJFWSA-N 2 2 268.405 -0.214 20 0 CBADLP C[N@H+]1CCN(C(=O)C[C@@H]2CSCC[NH2+]2)[C@@H](C[NH3+])C1 ZINC000577371417 335342202 /nfs/dbraw/zinc/34/22/02/335342202.db2.gz BAJSVWQMNDXRLF-MNOVXSKESA-N 3 2 272.418 -0.817 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000577395576 335347998 /nfs/dbraw/zinc/34/79/98/335347998.db2.gz RBUURNWRFGJFGT-STQMWFEESA-N 2 2 298.431 -0.114 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000577395576 335348000 /nfs/dbraw/zinc/34/80/00/335348000.db2.gz RBUURNWRFGJFGT-STQMWFEESA-N 2 2 298.431 -0.114 20 0 CBADLP C[N@@H+]1CCN(C(=O)NCc2ncccn2)[C@@H](C[NH3+])C1 ZINC000577412117 335350267 /nfs/dbraw/zinc/35/02/67/335350267.db2.gz QTQHIAICRKWDSZ-JTQLQIEISA-N 2 2 264.333 -0.739 20 0 CBADLP C[N@H+]1CCN(C(=O)NCc2ncccn2)[C@@H](C[NH3+])C1 ZINC000577412117 335350269 /nfs/dbraw/zinc/35/02/69/335350269.db2.gz QTQHIAICRKWDSZ-JTQLQIEISA-N 2 2 264.333 -0.739 20 0 CBADLP C[N@@H+](C[C@@H](O)C[NH2+]CCC[NH+]1CCC(O)CC1)C1CC1 ZINC000577493174 335358840 /nfs/dbraw/zinc/35/88/40/335358840.db2.gz WIZXFAHCGPLDQX-HNNXBMFYSA-N 3 2 285.432 -0.122 20 0 CBADLP C[N@H+](C[C@@H](O)C[NH2+]CCC[NH+]1CCC(O)CC1)C1CC1 ZINC000577493174 335358839 /nfs/dbraw/zinc/35/88/39/335358839.db2.gz WIZXFAHCGPLDQX-HNNXBMFYSA-N 3 2 285.432 -0.122 20 0 CBADLP CNC(=O)C[NH+]1CCC(NC(=O)C[NH+]2CC(C)(C)C2)CC1 ZINC000577506054 335361402 /nfs/dbraw/zinc/36/14/02/335361402.db2.gz NPKAUADHSPQATI-UHFFFAOYSA-N 2 2 296.415 -0.345 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000581006055 335995053 /nfs/dbraw/zinc/99/50/53/335995053.db2.gz VHHCQOHAEOGMCW-XQQFMLRXSA-N 2 2 294.399 -0.654 20 0 CBADLP CCOC[C@@H](O)C[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000581071297 336004002 /nfs/dbraw/zinc/00/40/02/336004002.db2.gz DAVSDHYHZCKKRS-OLZOCXBDSA-N 2 2 260.378 -0.180 20 0 CBADLP CCOC[C@@H](O)C[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000581071297 336004004 /nfs/dbraw/zinc/00/40/04/336004004.db2.gz DAVSDHYHZCKKRS-OLZOCXBDSA-N 2 2 260.378 -0.180 20 0 CBADLP CS(=O)(=O)N1CCC[C@@H]1C[NH2+][C@@H]1CCC[NH2+]C1 ZINC000581131573 336013056 /nfs/dbraw/zinc/01/30/56/336013056.db2.gz LNIJMZMHFJADRJ-GHMZBOCLSA-N 2 2 261.391 -0.248 20 0 CBADLP COCCCNC(=O)C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000381002626 336043480 /nfs/dbraw/zinc/04/34/80/336043480.db2.gz NAXZYFZWNZUAPA-ZDUSSCGKSA-N 2 2 255.362 -0.176 20 0 CBADLP COCCCNC(=O)C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000381002626 336043482 /nfs/dbraw/zinc/04/34/82/336043482.db2.gz NAXZYFZWNZUAPA-ZDUSSCGKSA-N 2 2 255.362 -0.176 20 0 CBADLP C[C@@H]1C[C@@H](C)N(C(=O)CN2CC[NH2+]CC2=O)C[C@H]1C[NH3+] ZINC000581601821 336109935 /nfs/dbraw/zinc/10/99/35/336109935.db2.gz FFXHASHBMLLXSZ-IJLUTSLNSA-N 2 2 282.388 -0.750 20 0 CBADLP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2CCCc3c[nH]nc32)CC1 ZINC000581603533 336110408 /nfs/dbraw/zinc/11/04/08/336110408.db2.gz ZTTDOWCIDAXLON-ZIAGYGMSSA-N 2 2 293.415 -0.015 20 0 CBADLP C[NH+](C)[C@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@@H]1O ZINC000581617813 336113512 /nfs/dbraw/zinc/11/35/12/336113512.db2.gz FHODXTGLQAADAM-DRZSPHRISA-N 2 2 278.356 -0.421 20 0 CBADLP CC[N@@H+]1CCOC[C@H]1C(=O)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000581676519 336127029 /nfs/dbraw/zinc/12/70/29/336127029.db2.gz ZTAVQJKYFFYNEH-LBPRGKRZSA-N 2 2 293.371 -0.221 20 0 CBADLP CC[N@H+]1CCOC[C@H]1C(=O)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000581676519 336127030 /nfs/dbraw/zinc/12/70/30/336127030.db2.gz ZTAVQJKYFFYNEH-LBPRGKRZSA-N 2 2 293.371 -0.221 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CCC(=O)N(C)C1 ZINC000581675647 336127052 /nfs/dbraw/zinc/12/70/52/336127052.db2.gz ZRWQJXHSXAFOQB-OLZOCXBDSA-N 2 2 287.404 -0.522 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CCC(=O)N(C)C1 ZINC000581675647 336127053 /nfs/dbraw/zinc/12/70/53/336127053.db2.gz ZRWQJXHSXAFOQB-OLZOCXBDSA-N 2 2 287.404 -0.522 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)[C@@H]1CCC(=O)N(C)C1 ZINC000581675647 336127055 /nfs/dbraw/zinc/12/70/55/336127055.db2.gz ZRWQJXHSXAFOQB-OLZOCXBDSA-N 2 2 287.404 -0.522 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H]1CCC(=O)N(C)C1 ZINC000581675647 336127056 /nfs/dbraw/zinc/12/70/56/336127056.db2.gz ZRWQJXHSXAFOQB-OLZOCXBDSA-N 2 2 287.404 -0.522 20 0 CBADLP C[C@H]1[C@@H](CO)CC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000385645448 336153407 /nfs/dbraw/zinc/15/34/07/336153407.db2.gz DMRDTQDBMNNHQL-NWDGAFQWSA-N 2 2 255.362 -0.537 20 0 CBADLP C[C@H]1[C@@H](CO)CC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000385645448 336153408 /nfs/dbraw/zinc/15/34/08/336153408.db2.gz DMRDTQDBMNNHQL-NWDGAFQWSA-N 2 2 255.362 -0.537 20 0 CBADLP C[C@H](NC(=S)NCC[NH+](C)C)[C@H]1C[N@H+](C)CCO1 ZINC000769791918 582336650 /nfs/dbraw/zinc/33/66/50/582336650.db2.gz IAQBTGOIGJXYJR-WDEREUQCSA-N 2 2 274.434 -0.269 20 0 CBADLP C[C@H](NC(=S)NCC[NH+](C)C)[C@H]1C[N@@H+](C)CCO1 ZINC000769791918 582336651 /nfs/dbraw/zinc/33/66/51/582336651.db2.gz IAQBTGOIGJXYJR-WDEREUQCSA-N 2 2 274.434 -0.269 20 0 CBADLP CC(=O)NCCC[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357646770 534380930 /nfs/dbraw/zinc/38/09/30/534380930.db2.gz IBZUZIUNAHRXPP-UHFFFAOYSA-N 2 2 257.378 -0.099 20 0 CBADLP CC(=O)NCCC[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357646770 534380937 /nfs/dbraw/zinc/38/09/37/534380937.db2.gz IBZUZIUNAHRXPP-UHFFFAOYSA-N 2 2 257.378 -0.099 20 0 CBADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)C[NH2+]C)CC1 ZINC000163955251 520483274 /nfs/dbraw/zinc/48/32/74/520483274.db2.gz ZSZQTJYJLQYVHI-UHFFFAOYSA-N 2 2 270.377 -0.782 20 0 CBADLP CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000163849164 521741000 /nfs/dbraw/zinc/74/10/00/521741000.db2.gz OLWRIQDSMOACLV-VHSXEESVSA-N 2 2 256.350 -0.251 20 0 CBADLP CCNC(=O)NC(=O)C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000163849164 521741001 /nfs/dbraw/zinc/74/10/01/521741001.db2.gz OLWRIQDSMOACLV-VHSXEESVSA-N 2 2 256.350 -0.251 20 0 CBADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@@H](C)[NH3+])CC1 ZINC000157389000 523326104 /nfs/dbraw/zinc/32/61/04/523326104.db2.gz FMNNKMLSYRIIDD-VHSXEESVSA-N 2 2 257.334 -0.571 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@@H]2CSC[NH2+]2)CC1 ZINC000164006986 523849184 /nfs/dbraw/zinc/84/91/84/523849184.db2.gz YUQYPBGCTWJHLO-JTQLQIEISA-N 2 2 259.375 -0.561 20 0 CBADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000304931415 528993354 /nfs/dbraw/zinc/99/33/54/528993354.db2.gz CUSCLGAKVOALPA-CYBMUJFWSA-N 2 2 269.389 -0.003 20 0 CBADLP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000304931415 528993362 /nfs/dbraw/zinc/99/33/62/528993362.db2.gz CUSCLGAKVOALPA-CYBMUJFWSA-N 2 2 269.389 -0.003 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@@H](CC(N)=O)C2)CC1 ZINC000377602663 529130252 /nfs/dbraw/zinc/13/02/52/529130252.db2.gz FWQLKWZUVMMFTO-OLZOCXBDSA-N 2 2 296.415 -0.264 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@@H](CC(N)=O)C2)CC1 ZINC000377602663 529130256 /nfs/dbraw/zinc/13/02/56/529130256.db2.gz FWQLKWZUVMMFTO-OLZOCXBDSA-N 2 2 296.415 -0.264 20 0 CBADLP CC[C@@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)C[C@H]1O ZINC000357610409 535844490 /nfs/dbraw/zinc/84/44/90/535844490.db2.gz NDYIRVNVVKIIMT-VXGBXAGGSA-N 2 2 255.362 -0.537 20 0 CBADLP CC[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)C[C@H]1O ZINC000357610409 535844494 /nfs/dbraw/zinc/84/44/94/535844494.db2.gz NDYIRVNVVKIIMT-VXGBXAGGSA-N 2 2 255.362 -0.537 20 0 CBADLP CC[NH2+]CC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000844189196 583260105 /nfs/dbraw/zinc/26/01/05/583260105.db2.gz IWNXPSCGPLYQCF-UHFFFAOYSA-N 2 2 256.350 -0.996 20 0 CBADLP C[C@@H]1CN(C(=O)C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCO1 ZINC000107576836 582113856 /nfs/dbraw/zinc/11/38/56/582113856.db2.gz BVJZFDKXFYMKOM-UTUOFQBUSA-N 2 2 253.346 -0.615 20 0 CBADLP C[C@@H]1CN(C(=O)C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCO1 ZINC000107576836 582113858 /nfs/dbraw/zinc/11/38/58/582113858.db2.gz BVJZFDKXFYMKOM-UTUOFQBUSA-N 2 2 253.346 -0.615 20 0 CBADLP CCS(=O)(=O)CC[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000119677605 582117622 /nfs/dbraw/zinc/11/76/22/582117622.db2.gz DZEOBBLITKPVBG-UHFFFAOYSA-N 2 2 291.461 -0.010 20 0 CBADLP CCS(=O)(=O)CC[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000119677605 582117624 /nfs/dbraw/zinc/11/76/24/582117624.db2.gz DZEOBBLITKPVBG-UHFFFAOYSA-N 2 2 291.461 -0.010 20 0 CBADLP CN1C(=O)C(=O)N(C[N@H+](C)CCCn2cc[nH+]c2)C1=O ZINC000130576402 582123399 /nfs/dbraw/zinc/12/33/99/582123399.db2.gz IBQWOGGUTYCUCT-UHFFFAOYSA-N 2 2 279.300 -0.417 20 0 CBADLP CN1C(=O)C(=O)N(C[N@@H+](C)CCCn2cc[nH+]c2)C1=O ZINC000130576402 582123400 /nfs/dbraw/zinc/12/34/00/582123400.db2.gz IBQWOGGUTYCUCT-UHFFFAOYSA-N 2 2 279.300 -0.417 20 0 CBADLP CN(C)C(=O)C[NH+]1CCN(C(=O)C[C@@H]([NH3+])C2CC2)CC1 ZINC000137309736 582126010 /nfs/dbraw/zinc/12/60/10/582126010.db2.gz MEXIIYOPMRTORC-GFCCVEGCSA-N 2 2 282.388 -0.654 20 0 CBADLP O=C(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)NCc1ccccn1 ZINC000727830327 582142096 /nfs/dbraw/zinc/14/20/96/582142096.db2.gz MRMCPLASMBMTDT-TXEJJXNPSA-N 2 2 260.341 -0.151 20 0 CBADLP O=C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)NCc1ccccn1 ZINC000727830327 582142098 /nfs/dbraw/zinc/14/20/98/582142098.db2.gz MRMCPLASMBMTDT-TXEJJXNPSA-N 2 2 260.341 -0.151 20 0 CBADLP O=C(C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)NCc1ccccn1 ZINC000727830328 582142133 /nfs/dbraw/zinc/14/21/33/582142133.db2.gz MRMCPLASMBMTDT-VXGBXAGGSA-N 2 2 260.341 -0.151 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=S)NCC[NH+](C)C ZINC000729162493 582145799 /nfs/dbraw/zinc/14/57/99/582145799.db2.gz UUWAXYIIWNXBRV-NSHDSACASA-N 2 2 274.434 -0.267 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=S)NCC[NH+](C)C ZINC000729162493 582145800 /nfs/dbraw/zinc/14/58/00/582145800.db2.gz UUWAXYIIWNXBRV-NSHDSACASA-N 2 2 274.434 -0.267 20 0 CBADLP C[C@H](NC(=O)CC[NH+]1CCOCC1)[C@H](C)[NH+]1CCOCC1 ZINC000729449080 582146458 /nfs/dbraw/zinc/14/64/58/582146458.db2.gz KEZBJDQVXZJJIQ-KBPBESRZSA-N 2 2 299.415 -0.066 20 0 CBADLP C[C@@H](NC(=O)CC[NH+]1CCOCC1)[C@H](C)[NH+]1CCOCC1 ZINC000729449081 582146640 /nfs/dbraw/zinc/14/66/40/582146640.db2.gz KEZBJDQVXZJJIQ-KGLIPLIRSA-N 2 2 299.415 -0.066 20 0 CBADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)CC[NH+]1CCOCC1 ZINC000730227297 582149565 /nfs/dbraw/zinc/14/95/65/582149565.db2.gz APIHKYFBDXXVHX-CQSZACIVSA-N 2 2 298.431 -0.539 20 0 CBADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)CC[NH+]1CCOCC1 ZINC000730227297 582149567 /nfs/dbraw/zinc/14/95/67/582149567.db2.gz APIHKYFBDXXVHX-CQSZACIVSA-N 2 2 298.431 -0.539 20 0 CBADLP C[NH+](C)CC(=O)N1CC[NH+](CCN2CCOC2=O)CC1 ZINC000731104476 582152082 /nfs/dbraw/zinc/15/20/82/582152082.db2.gz LKPSEQGBPSSPJP-UHFFFAOYSA-N 2 2 284.360 -0.856 20 0 CBADLP C[C@H](CNC(=O)CC[NH+]1CCOCC1)C[NH+]1CCOCC1 ZINC000737981112 582255646 /nfs/dbraw/zinc/25/56/46/582255646.db2.gz RRNBMNVTBRMEPZ-CQSZACIVSA-N 2 2 299.415 -0.207 20 0 CBADLP CN1CC[C@@H]([N@H+](C)C[C@@H](O)C[NH+]2CCCC2)C1=O ZINC000738883105 582262702 /nfs/dbraw/zinc/26/27/02/582262702.db2.gz YEHBGQMHNXCXLR-VXGBXAGGSA-N 2 2 255.362 -0.394 20 0 CBADLP CN1CC[C@@H]([N@@H+](C)C[C@@H](O)C[NH+]2CCCC2)C1=O ZINC000738883105 582262703 /nfs/dbraw/zinc/26/27/03/582262703.db2.gz YEHBGQMHNXCXLR-VXGBXAGGSA-N 2 2 255.362 -0.394 20 0 CBADLP CC[NH+](CCC[N@@H+](CC)CC(=O)NC)CC(=O)NC ZINC000741786695 582270918 /nfs/dbraw/zinc/27/09/18/582270918.db2.gz JNSAQNHBRXPZPR-UHFFFAOYSA-N 2 2 272.393 -0.488 20 0 CBADLP CC[NH+](CCC[N@H+](CC)CC(=O)NC)CC(=O)NC ZINC000741786695 582270919 /nfs/dbraw/zinc/27/09/19/582270919.db2.gz JNSAQNHBRXPZPR-UHFFFAOYSA-N 2 2 272.393 -0.488 20 0 CBADLP C[NH+](C)CCNC(=S)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000741871545 582271193 /nfs/dbraw/zinc/27/11/93/582271193.db2.gz DOPZTRSDIFHPNZ-LBPRGKRZSA-N 2 2 286.445 -0.171 20 0 CBADLP C[NH+](C)CCNC(=S)NC[C@H]1C[NH+]2CCN1CC2 ZINC000746543994 582285020 /nfs/dbraw/zinc/28/50/20/582285020.db2.gz FMTDBZQFLUMPCB-NSHDSACASA-N 2 2 271.434 -0.988 20 0 CBADLP Cc1cc(N(C)C[C@@H](O)C[NH+]2CCOCC2)nc(N)[nH+]1 ZINC000751234831 582292552 /nfs/dbraw/zinc/29/25/52/582292552.db2.gz WWDQLCYWZCBORA-LLVKDONJSA-N 2 2 281.360 -0.503 20 0 CBADLP O=C(CC[NH+]1CCOCC1)NCCn1cc[nH+]c1 ZINC000751333569 582292717 /nfs/dbraw/zinc/29/27/17/582292717.db2.gz RRADQRSJHVJQOJ-UHFFFAOYSA-N 2 2 252.318 -0.278 20 0 CBADLP CC[C@H](CO)[NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000754246572 582298909 /nfs/dbraw/zinc/29/89/09/582298909.db2.gz KTLFRRVDVWWKRZ-GFCCVEGCSA-N 2 2 287.404 -0.426 20 0 CBADLP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000755207878 582301112 /nfs/dbraw/zinc/30/11/12/582301112.db2.gz LFQDDOKBCOCRKY-ZIAGYGMSSA-N 2 2 269.389 -0.541 20 0 CBADLP O[C@H](C[NH+]1CCCC1)C[N@H+]1CCN2CCOC[C@H]2C1 ZINC000755207878 582301113 /nfs/dbraw/zinc/30/11/13/582301113.db2.gz LFQDDOKBCOCRKY-ZIAGYGMSSA-N 2 2 269.389 -0.541 20 0 CBADLP C[N@H+](CCCN1CC[NH+](C)CC1)CCS(C)(=O)=O ZINC000762379045 582317319 /nfs/dbraw/zinc/31/73/19/582317319.db2.gz YKDYHLIEKJLVPS-UHFFFAOYSA-N 2 2 277.434 -0.400 20 0 CBADLP C[N@@H+](CCCN1CC[NH+](C)CC1)CCS(C)(=O)=O ZINC000762379045 582317320 /nfs/dbraw/zinc/31/73/20/582317320.db2.gz YKDYHLIEKJLVPS-UHFFFAOYSA-N 2 2 277.434 -0.400 20 0 CBADLP NC(=O)N[C@@H]1CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000762927121 582318692 /nfs/dbraw/zinc/31/86/92/582318692.db2.gz YPROGZCOSUYGKK-MNOVXSKESA-N 2 2 256.350 -0.814 20 0 CBADLP NC(=O)N[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000762927121 582318693 /nfs/dbraw/zinc/31/86/93/582318693.db2.gz YPROGZCOSUYGKK-MNOVXSKESA-N 2 2 256.350 -0.814 20 0 CBADLP CC(C)(CNC(=O)C[NH2+][C@@H](CO)C1CC1)[NH+]1CCOCC1 ZINC000763081778 582319467 /nfs/dbraw/zinc/31/94/67/582319467.db2.gz IOHRCPLYGJJRRI-ZDUSSCGKSA-N 2 2 299.415 -0.426 20 0 CBADLP CC(C)(CNC(=O)C[NH2+][C@H](CO)C1CC1)[NH+]1CCOCC1 ZINC000763081767 582319535 /nfs/dbraw/zinc/31/95/35/582319535.db2.gz IOHRCPLYGJJRRI-CYBMUJFWSA-N 2 2 299.415 -0.426 20 0 CBADLP O=C(CC[NH+]1CCOCC1)NCC1([NH+]2CCOCC2)CC1 ZINC000765700430 582328809 /nfs/dbraw/zinc/32/88/09/582328809.db2.gz XSFMPNCLHDLQAW-UHFFFAOYSA-N 2 2 297.399 -0.310 20 0 CBADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CCS(N)(=O)=O)C1 ZINC000770018161 582337591 /nfs/dbraw/zinc/33/75/91/582337591.db2.gz KFSZWPNWWQZSPL-SNVBAGLBSA-N 2 2 272.374 -0.112 20 0 CBADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CCS(N)(=O)=O)C1 ZINC000770018161 582337592 /nfs/dbraw/zinc/33/75/92/582337592.db2.gz KFSZWPNWWQZSPL-SNVBAGLBSA-N 2 2 272.374 -0.112 20 0 CBADLP CN(C)C(=O)NCC[N@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000777716387 582357526 /nfs/dbraw/zinc/35/75/26/582357526.db2.gz LPVXELCAYBRXNZ-GFCCVEGCSA-N 2 2 272.393 -0.354 20 0 CBADLP CN(C)C(=O)NCC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000777716387 582357527 /nfs/dbraw/zinc/35/75/27/582357527.db2.gz LPVXELCAYBRXNZ-GFCCVEGCSA-N 2 2 272.393 -0.354 20 0 CBADLP C[C@@H](CCO)[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000779411743 582361075 /nfs/dbraw/zinc/36/10/75/582361075.db2.gz HKXRLEBGHLVXAA-STQMWFEESA-N 2 2 285.388 -0.720 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCCN(C=O)CC2)CC1 ZINC000781559304 582366094 /nfs/dbraw/zinc/36/60/94/582366094.db2.gz IQFHJOFHUJJESN-AWEZNQCLSA-N 2 2 296.415 -0.297 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCCN(C=O)CC2)CC1 ZINC000781559304 582366095 /nfs/dbraw/zinc/36/60/95/582366095.db2.gz IQFHJOFHUJJESN-AWEZNQCLSA-N 2 2 296.415 -0.297 20 0 CBADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCCN(C=O)CC2)CC1 ZINC000781562480 582366184 /nfs/dbraw/zinc/36/61/84/582366184.db2.gz SUHKPRMFCVBRSR-UHFFFAOYSA-N 2 2 296.415 -0.249 20 0 CBADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCCN(C=O)CC2)CC1 ZINC000781562480 582366185 /nfs/dbraw/zinc/36/61/85/582366185.db2.gz SUHKPRMFCVBRSR-UHFFFAOYSA-N 2 2 296.415 -0.249 20 0 CBADLP NC(=O)[C@@]1(O)CC[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000788474153 582386193 /nfs/dbraw/zinc/38/61/93/582386193.db2.gz MDHPVVZXTBQUML-CQSZACIVSA-N 2 2 287.323 -0.311 20 0 CBADLP NC(=O)[C@@]1(O)CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000788474153 582386194 /nfs/dbraw/zinc/38/61/94/582386194.db2.gz MDHPVVZXTBQUML-CQSZACIVSA-N 2 2 287.323 -0.311 20 0 CBADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)CC[NH+]2CCOCC2)[C@@H](C)C1 ZINC000793873569 582398895 /nfs/dbraw/zinc/39/88/95/582398895.db2.gz HKCFVDDKNXPYJD-UONOGXRCSA-N 2 2 299.415 -0.378 20 0 CBADLP C[C@@H](O)C[N@H+]1CCN(C(=O)CC[NH+]2CCOCC2)[C@@H](C)C1 ZINC000793873569 582398896 /nfs/dbraw/zinc/39/88/96/582398896.db2.gz HKCFVDDKNXPYJD-UONOGXRCSA-N 2 2 299.415 -0.378 20 0 CBADLP C[N@@H+]1CC[C@]2(CC[NH+]([C@H]3CCC(=O)NC3=O)C2)C1 ZINC000795332150 582408521 /nfs/dbraw/zinc/40/85/21/582408521.db2.gz GJTCPKSPPUYXTI-GWCFXTLKSA-N 2 2 251.330 -0.181 20 0 CBADLP C[N@H+]1CC[C@]2(CC[NH+]([C@H]3CCC(=O)NC3=O)C2)C1 ZINC000795332150 582408522 /nfs/dbraw/zinc/40/85/22/582408522.db2.gz GJTCPKSPPUYXTI-GWCFXTLKSA-N 2 2 251.330 -0.181 20 0 CBADLP C[NH+]1CC[C@]2(CC[N@@H+]([C@H]3CCC(=O)NC3=O)C2)C1 ZINC000795332150 582408523 /nfs/dbraw/zinc/40/85/23/582408523.db2.gz GJTCPKSPPUYXTI-GWCFXTLKSA-N 2 2 251.330 -0.181 20 0 CBADLP C[NH+]1CC[C@]2(CC[N@H+]([C@H]3CCC(=O)NC3=O)C2)C1 ZINC000795332150 582408524 /nfs/dbraw/zinc/40/85/24/582408524.db2.gz GJTCPKSPPUYXTI-GWCFXTLKSA-N 2 2 251.330 -0.181 20 0 CBADLP Cn1cc[nH+]c1N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000798194727 582414444 /nfs/dbraw/zinc/41/44/44/582414444.db2.gz ATYHDAIHKVZJIE-QGZVFWFLSA-N 2 2 256.375 -0.079 20 0 CBADLP CC[N@H+](C[C@H](O)C[NH+]1CCCC1)[C@@H]1CCNC1=O ZINC000799354611 582419742 /nfs/dbraw/zinc/41/97/42/582419742.db2.gz UVGSWIZDIFEIPB-VXGBXAGGSA-N 2 2 255.362 -0.347 20 0 CBADLP CC[N@@H+](C[C@H](O)C[NH+]1CCCC1)[C@@H]1CCNC1=O ZINC000799354611 582419743 /nfs/dbraw/zinc/41/97/43/582419743.db2.gz UVGSWIZDIFEIPB-VXGBXAGGSA-N 2 2 255.362 -0.347 20 0 CBADLP CCC[N@H+](C[C@@H](O)C[NH+]1CCCC1)[C@@H]1CC(=O)N(C)C1=O ZINC000801585918 582424832 /nfs/dbraw/zinc/42/48/32/582424832.db2.gz JTXYIAQPLGKKBR-QWHCGFSZSA-N 2 2 297.399 -0.088 20 0 CBADLP CCC[N@@H+](C[C@@H](O)C[NH+]1CCCC1)[C@@H]1CC(=O)N(C)C1=O ZINC000801585918 582424833 /nfs/dbraw/zinc/42/48/33/582424833.db2.gz JTXYIAQPLGKKBR-QWHCGFSZSA-N 2 2 297.399 -0.088 20 0 CBADLP Cn1nncc1NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000809909858 582447265 /nfs/dbraw/zinc/44/72/65/582447265.db2.gz DCORKXGUERPJTA-UHFFFAOYSA-N 2 2 295.391 -0.037 20 0 CBADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1cnn(C)n1 ZINC000815123088 582460922 /nfs/dbraw/zinc/46/09/22/582460922.db2.gz WEGJZVRHJVORBM-CYBMUJFWSA-N 2 2 294.403 -0.153 20 0 CBADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1cnn(C)n1 ZINC000815123088 582460923 /nfs/dbraw/zinc/46/09/23/582460923.db2.gz WEGJZVRHJVORBM-CYBMUJFWSA-N 2 2 294.403 -0.153 20 0 CBADLP C[C@@H](C[NH2+]Cc1cnn(C)n1)N1CC[NH+](C)CC1 ZINC000815124067 582461005 /nfs/dbraw/zinc/46/10/05/582461005.db2.gz VCYHVTMMBMPECK-NSHDSACASA-N 2 2 252.366 -0.459 20 0 CBADLP C[C@@H]([NH2+]CCS(=O)(=O)N1CCOCC1)[C@H]1CCC[NH2+]1 ZINC000817908683 582496314 /nfs/dbraw/zinc/49/63/14/582496314.db2.gz HMQNOQSZWKTWOW-VXGBXAGGSA-N 2 2 291.417 -0.622 20 0 CBADLP CCn1nc(C)c(CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])n1 ZINC000818657667 582513982 /nfs/dbraw/zinc/51/39/82/582513982.db2.gz IUWBXDDXUVXWAY-NSHDSACASA-N 2 2 295.391 -0.609 20 0 CBADLP CCn1nc(C)c(CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])n1 ZINC000818657667 582513983 /nfs/dbraw/zinc/51/39/83/582513983.db2.gz IUWBXDDXUVXWAY-NSHDSACASA-N 2 2 295.391 -0.609 20 0 CBADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000821732180 582617514 /nfs/dbraw/zinc/61/75/14/582617514.db2.gz MDHPUDOIEZEMHR-UHFFFAOYSA-N 2 2 293.371 -0.377 20 0 CBADLP CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000821732180 582617515 /nfs/dbraw/zinc/61/75/15/582617515.db2.gz MDHPUDOIEZEMHR-UHFFFAOYSA-N 2 2 293.371 -0.377 20 0 CBADLP CC[N@@H+]1CCO[C@@H](c2nc(N3CC[NH2+]CC3)no2)C1 ZINC000823299972 582665879 /nfs/dbraw/zinc/66/58/79/582665879.db2.gz KGLCZKGDYPRULC-SNVBAGLBSA-N 2 2 267.333 -0.128 20 0 CBADLP CC[N@H+]1CCO[C@@H](c2nc(N3CC[NH2+]CC3)no2)C1 ZINC000823299972 582665881 /nfs/dbraw/zinc/66/58/81/582665881.db2.gz KGLCZKGDYPRULC-SNVBAGLBSA-N 2 2 267.333 -0.128 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N(C)CC(=O)N1CC[NH+](C)CC1 ZINC000825291918 582730954 /nfs/dbraw/zinc/73/09/54/582730954.db2.gz CKXLMQFABFQMIZ-UHFFFAOYSA-N 2 2 293.371 -0.507 20 0 CBADLP COCCN(CC[NH+](C)C)C(=O)Cc1[nH]cc[nH+]1 ZINC000826560464 582781383 /nfs/dbraw/zinc/78/13/83/582781383.db2.gz QZRSFCXCZAUYBJ-UHFFFAOYSA-N 2 2 254.334 -0.011 20 0 CBADLP Cn1c[nH+]c(/C=C\C(=O)N2CC[N@H+](C)C[C@@H]2CO)c1 ZINC000826707831 582786627 /nfs/dbraw/zinc/78/66/27/582786627.db2.gz NYYSCYAFNSMIFA-VSQXVHSFSA-N 2 2 264.329 -0.432 20 0 CBADLP Cn1c[nH+]c(/C=C\C(=O)N2CC[N@@H+](C)C[C@@H]2CO)c1 ZINC000826707831 582786628 /nfs/dbraw/zinc/78/66/28/582786628.db2.gz NYYSCYAFNSMIFA-VSQXVHSFSA-N 2 2 264.329 -0.432 20 0 CBADLP O=C(NCc1cccnc1-n1cc[nH+]c1)[C@H]1C[NH2+]CCO1 ZINC000826726680 582787370 /nfs/dbraw/zinc/78/73/70/582787370.db2.gz ZAXDSFVOEGLMPG-GFCCVEGCSA-N 2 2 287.323 -0.128 20 0 CBADLP C[C@@H]1[C@H](C(=O)NC[C@H]2C[NH+]3CCN2CC3)CC[N@@H+]1C ZINC000827166671 582802532 /nfs/dbraw/zinc/80/25/32/582802532.db2.gz QRTBLGVSECYOIT-FRRDWIJNSA-N 2 2 266.389 -0.557 20 0 CBADLP C[C@@H]1[C@H](C(=O)NC[C@H]2C[NH+]3CCN2CC3)CC[N@H+]1C ZINC000827166671 582802534 /nfs/dbraw/zinc/80/25/34/582802534.db2.gz QRTBLGVSECYOIT-FRRDWIJNSA-N 2 2 266.389 -0.557 20 0 CBADLP Cn1c[nH+]c(/C=C/C(=O)NCC[N@@H+]2CC[C@H](O)C2)c1 ZINC000827748965 582831549 /nfs/dbraw/zinc/83/15/49/582831549.db2.gz CAQVEZBMSKRYRL-JDGPPOGSSA-N 2 2 264.329 -0.384 20 0 CBADLP Cn1c[nH+]c(/C=C/C(=O)NCC[N@H+]2CC[C@H](O)C2)c1 ZINC000827748965 582831550 /nfs/dbraw/zinc/83/15/50/582831550.db2.gz CAQVEZBMSKRYRL-JDGPPOGSSA-N 2 2 264.329 -0.384 20 0 CBADLP Cn1c[nH+]c(/C=C/C(=O)N2CC[N@H+](C)[C@@H](CO)C2)c1 ZINC000827983592 582838087 /nfs/dbraw/zinc/83/80/87/582838087.db2.gz ODSAXTFFMDPYFA-AAOUONPWSA-N 2 2 264.329 -0.432 20 0 CBADLP Cn1c[nH+]c(/C=C/C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)c1 ZINC000827983592 582838089 /nfs/dbraw/zinc/83/80/89/582838089.db2.gz ODSAXTFFMDPYFA-AAOUONPWSA-N 2 2 264.329 -0.432 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000830588978 582935138 /nfs/dbraw/zinc/93/51/38/582935138.db2.gz PABSYHRISKDAIF-LLVKDONJSA-N 2 2 266.345 -0.085 20 0 CBADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)C[C@@H]([NH3+])C2CC2)CC1 ZINC000830783723 582940390 /nfs/dbraw/zinc/94/03/90/582940390.db2.gz RWVSAHCAPLDSRY-LLVKDONJSA-N 2 2 282.388 -0.478 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)C[C@H]([NH3+])C2CC2)CC1 ZINC000831823289 583004272 /nfs/dbraw/zinc/00/42/72/583004272.db2.gz VVUIYAYGTNRFKS-ZDUSSCGKSA-N 2 2 282.388 -0.606 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000832139995 583013073 /nfs/dbraw/zinc/01/30/73/583013073.db2.gz IZOSRKXGHCKRTN-SNVBAGLBSA-N 2 2 277.328 -0.495 20 0 CBADLP COCCS(=O)(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000843344873 583210885 /nfs/dbraw/zinc/21/08/85/583210885.db2.gz CZBOLSZUEMDNNQ-UHFFFAOYSA-N 2 2 264.391 -0.139 20 0 CBADLP C[C@@H]1CN(C(=O)C[NH2+][C@](C)(C[NH3+])C2CC2)CCO1 ZINC000843356645 583211973 /nfs/dbraw/zinc/21/19/73/583211973.db2.gz ZDORPTDMGHWBOQ-ZWNOBZJWSA-N 2 2 255.362 -0.049 20 0 CBADLP C[N@@H+]1CCN(C(=O)CCCn2ccccc2=O)[C@@H](C[NH3+])C1 ZINC000843357149 583212525 /nfs/dbraw/zinc/21/25/25/583212525.db2.gz FFNLOBDDPTUZCF-ZDUSSCGKSA-N 2 2 292.383 -0.270 20 0 CBADLP C[N@H+]1CCN(C(=O)CCCn2ccccc2=O)[C@@H](C[NH3+])C1 ZINC000843357149 583212528 /nfs/dbraw/zinc/21/25/28/583212528.db2.gz FFNLOBDDPTUZCF-ZDUSSCGKSA-N 2 2 292.383 -0.270 20 0 CBADLP O=C1OCC[C@@H]1[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000843369821 583213065 /nfs/dbraw/zinc/21/30/65/583213065.db2.gz VPVLZHUBOKYPBX-QWRGUYRKSA-N 2 2 267.329 -0.802 20 0 CBADLP O=C1OCC[C@@H]1[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000843369821 583213069 /nfs/dbraw/zinc/21/30/69/583213069.db2.gz VPVLZHUBOKYPBX-QWRGUYRKSA-N 2 2 267.329 -0.802 20 0 CBADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@H]([NH3+])C2CC2)CC1 ZINC000843487557 583227408 /nfs/dbraw/zinc/22/74/08/583227408.db2.gz RBJORBXTQIBGFL-ZDUSSCGKSA-N 2 2 296.415 -0.216 20 0 CBADLP CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@H]([NH3+])C2CC2)CC1 ZINC000843487557 583227410 /nfs/dbraw/zinc/22/74/10/583227410.db2.gz RBJORBXTQIBGFL-ZDUSSCGKSA-N 2 2 296.415 -0.216 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)CO[C@H]1CCC[NH2+]C1 ZINC000843488779 583227888 /nfs/dbraw/zinc/22/78/88/583227888.db2.gz OWUKEXRLWDLRKU-ZDUSSCGKSA-N 2 2 285.388 -0.454 20 0 CBADLP O=C(NCc1ccc(-n2cc[nH+]c2)nc1)[C@H]1C[NH2+]CCO1 ZINC000844168351 583255780 /nfs/dbraw/zinc/25/57/80/583255780.db2.gz VXUKYBLXYFSPKL-GFCCVEGCSA-N 2 2 287.323 -0.128 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000844170119 583256154 /nfs/dbraw/zinc/25/61/54/583256154.db2.gz FZYPXILRPITXRR-QWHCGFSZSA-N 2 2 285.388 -0.408 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)C[C@@H]([NH3+])C2CC2)CCO1 ZINC000844178555 583257235 /nfs/dbraw/zinc/25/72/35/583257235.db2.gz AYOHUWGYWFGAEL-ZYHUDNBSSA-N 2 2 255.362 -0.049 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)C[C@@H]([NH3+])C2CC2)CCO1 ZINC000844178555 583257236 /nfs/dbraw/zinc/25/72/36/583257236.db2.gz AYOHUWGYWFGAEL-ZYHUDNBSSA-N 2 2 255.362 -0.049 20 0 CBADLP CC[NH2+]CC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000844176574 583257292 /nfs/dbraw/zinc/25/72/92/583257292.db2.gz RISPQHAZBOYPOM-LBPRGKRZSA-N 2 2 255.362 -0.081 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@]2(F)CC[NH2+]C2)CCO1 ZINC000844179084 583257925 /nfs/dbraw/zinc/25/79/25/583257925.db2.gz PPPLUBZSOZMJKP-ZYHUDNBSSA-N 2 2 259.325 -0.475 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@]2(F)CC[NH2+]C2)CCO1 ZINC000844179084 583257928 /nfs/dbraw/zinc/25/79/28/583257928.db2.gz PPPLUBZSOZMJKP-ZYHUDNBSSA-N 2 2 259.325 -0.475 20 0 CBADLP CC[NH2+]CC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000844183327 583258816 /nfs/dbraw/zinc/25/88/16/583258816.db2.gz XXFBOOUNSSSKLQ-UHFFFAOYSA-N 2 2 281.360 -0.237 20 0 CBADLP COCCOCC[NH+]1CCN(C(=O)N[C@@H](C)C[NH3+])CC1 ZINC000846171184 583354829 /nfs/dbraw/zinc/35/48/29/583354829.db2.gz DFBLYKBLDATJFO-LBPRGKRZSA-N 2 2 288.392 -0.676 20 0 CBADLP CCCCOC(=O)CNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000846670377 583381796 /nfs/dbraw/zinc/38/17/96/583381796.db2.gz OKZQAVOFIPZOPN-SNVBAGLBSA-N 2 2 259.350 -0.275 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCCNc1ncccn1 ZINC000846673502 583382063 /nfs/dbraw/zinc/38/20/63/583382063.db2.gz UVOYLAXKMVMIGE-NSHDSACASA-N 2 2 280.376 -0.326 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000846678658 583382623 /nfs/dbraw/zinc/38/26/23/583382623.db2.gz NBTVQWQYHBQFKA-BDAKNGLRSA-N 3 2 264.320 -0.669 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCCOC(=O)C1CC1 ZINC000846716578 583385788 /nfs/dbraw/zinc/38/57/88/583385788.db2.gz CVOIEQPZJMKDJZ-SNVBAGLBSA-N 2 2 257.334 -0.665 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2C[C@]2(CO)C1 ZINC000846868923 583390356 /nfs/dbraw/zinc/39/03/56/583390356.db2.gz URMJVYUZTRZWTQ-RWMBFGLXSA-N 2 2 258.362 -0.760 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H]2C[C@]2(CO)C1 ZINC000846868923 583390359 /nfs/dbraw/zinc/39/03/59/583390359.db2.gz URMJVYUZTRZWTQ-RWMBFGLXSA-N 2 2 258.362 -0.760 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000846868923 583390363 /nfs/dbraw/zinc/39/03/63/583390363.db2.gz URMJVYUZTRZWTQ-RWMBFGLXSA-N 2 2 258.362 -0.760 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000846868923 583390366 /nfs/dbraw/zinc/39/03/66/583390366.db2.gz URMJVYUZTRZWTQ-RWMBFGLXSA-N 2 2 258.362 -0.760 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@H]2[C@H](C(=O)OC)[C@H]2C1 ZINC000846918861 583392840 /nfs/dbraw/zinc/39/28/40/583392840.db2.gz MAKYUYNKDJTENO-WUHRBBMRSA-N 2 2 286.372 -0.724 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H]2[C@H](C(=O)OC)[C@H]2C1 ZINC000846918861 583392841 /nfs/dbraw/zinc/39/28/41/583392841.db2.gz MAKYUYNKDJTENO-WUHRBBMRSA-N 2 2 286.372 -0.724 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@H]2[C@H](C(=O)OC)[C@H]2C1 ZINC000846918861 583392844 /nfs/dbraw/zinc/39/28/44/583392844.db2.gz MAKYUYNKDJTENO-WUHRBBMRSA-N 2 2 286.372 -0.724 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H]2[C@H](C(=O)OC)[C@H]2C1 ZINC000846918861 583392847 /nfs/dbraw/zinc/39/28/47/583392847.db2.gz MAKYUYNKDJTENO-WUHRBBMRSA-N 2 2 286.372 -0.724 20 0 CBADLP C[NH+](C)C1(C(=O)N[C@H](CO)C[NH+]2CCOCC2)CCC1 ZINC000847139360 583399078 /nfs/dbraw/zinc/39/90/78/583399078.db2.gz JGQOZBYSPQSSCX-LBPRGKRZSA-N 2 2 285.388 -0.720 20 0 CBADLP Cn1c(C[NH2+]CC(=O)N2CC[NH+](C)CC2)cnc1Cl ZINC000848531866 583450040 /nfs/dbraw/zinc/45/00/40/583450040.db2.gz UZSUIXYQTOEWGA-UHFFFAOYSA-N 2 2 285.779 -0.063 20 0 CBADLP COCCNC(=[NH2+])NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000849037595 583470704 /nfs/dbraw/zinc/47/07/04/583470704.db2.gz QVUAOKYBAMHVDM-PHIMTYICSA-N 2 2 256.350 -0.390 20 0 CBADLP COCCNC(=[NH2+])NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000849037595 583470706 /nfs/dbraw/zinc/47/07/06/583470706.db2.gz QVUAOKYBAMHVDM-PHIMTYICSA-N 2 2 256.350 -0.390 20 0 CBADLP CN(C)C(=[NH2+])NCC1([NH+]2CCOCC2)CCOCC1 ZINC000849040268 583471175 /nfs/dbraw/zinc/47/11/75/583471175.db2.gz PSBDWAVHGZCTJM-UHFFFAOYSA-N 2 2 270.377 -0.046 20 0 CBADLP CCONC(=O)CNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC ZINC000849049606 583472007 /nfs/dbraw/zinc/47/20/07/583472007.db2.gz SHENRTMENUBJLZ-JTQLQIEISA-N 2 2 271.365 -0.348 20 0 CBADLP CCONC(=O)CNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC ZINC000849049606 583472009 /nfs/dbraw/zinc/47/20/09/583472009.db2.gz SHENRTMENUBJLZ-JTQLQIEISA-N 2 2 271.365 -0.348 20 0 CBADLP CN(CC1C[NH+](C)C1)C(=S)NCC[NH+]1CCOCC1 ZINC000849289477 583476474 /nfs/dbraw/zinc/47/64/74/583476474.db2.gz MRIMQWCHXADIKX-UHFFFAOYSA-N 2 2 286.445 -0.314 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852443878 583546915 /nfs/dbraw/zinc/54/69/15/583546915.db2.gz QUELMLDAKFUQHF-NEPJUHHUSA-N 2 2 271.361 -0.175 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852443878 583546918 /nfs/dbraw/zinc/54/69/18/583546918.db2.gz QUELMLDAKFUQHF-NEPJUHHUSA-N 2 2 271.361 -0.175 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852443878 583546921 /nfs/dbraw/zinc/54/69/21/583546921.db2.gz QUELMLDAKFUQHF-NEPJUHHUSA-N 2 2 271.361 -0.175 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852443878 583546925 /nfs/dbraw/zinc/54/69/25/583546925.db2.gz QUELMLDAKFUQHF-NEPJUHHUSA-N 2 2 271.361 -0.175 20 0 CBADLP C[N@H+](C[C@H](O)C[NH+]1CCCC1)C[C@H]1COCCO1 ZINC000852494803 583547653 /nfs/dbraw/zinc/54/76/53/583547653.db2.gz FNMZLZWHAMCJBX-STQMWFEESA-N 2 2 258.362 -0.210 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH+]1CCCC1)C[C@H]1COCCO1 ZINC000852494803 583547655 /nfs/dbraw/zinc/54/76/55/583547655.db2.gz FNMZLZWHAMCJBX-STQMWFEESA-N 2 2 258.362 -0.210 20 0 CBADLP O=C1OCCN1[C@H]1CC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000852755189 583551897 /nfs/dbraw/zinc/55/18/97/583551897.db2.gz GRSANFXYLQRNDR-QWRGUYRKSA-N 2 2 255.318 -0.499 20 0 CBADLP O=C1OCCN1[C@H]1CC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000852755189 583551899 /nfs/dbraw/zinc/55/18/99/583551899.db2.gz GRSANFXYLQRNDR-QWRGUYRKSA-N 2 2 255.318 -0.499 20 0 CBADLP C[NH+](C)CCC[C@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)CCO1 ZINC000852761753 583552240 /nfs/dbraw/zinc/55/22/40/583552240.db2.gz ZSEOBXPZCWWNLU-RYUDHWBXSA-N 2 2 283.372 -0.166 20 0 CBADLP C[NH+](C)CCC[C@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)CCO1 ZINC000852761753 583552241 /nfs/dbraw/zinc/55/22/41/583552241.db2.gz ZSEOBXPZCWWNLU-RYUDHWBXSA-N 2 2 283.372 -0.166 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000852846909 583559886 /nfs/dbraw/zinc/55/98/86/583559886.db2.gz LMMIBXVJFQMMSX-ZDUSSCGKSA-N 3 2 274.384 -0.312 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000852846909 583559888 /nfs/dbraw/zinc/55/98/88/583559888.db2.gz LMMIBXVJFQMMSX-ZDUSSCGKSA-N 3 2 274.384 -0.312 20 0 CBADLP O=C(Nc1ccc(-n2cc[nH+]c2)nc1)C1(O)C[NH2+]C1 ZINC000852858250 583561911 /nfs/dbraw/zinc/56/19/11/583561911.db2.gz WEHXKDOHOWXFAA-UHFFFAOYSA-N 2 2 259.269 -0.460 20 0 CBADLP CN(C)c1ccc(CNC(=O)C2=NO[C@H](C[NH3+])C2)c[nH+]1 ZINC000852859308 583562049 /nfs/dbraw/zinc/56/20/49/583562049.db2.gz RVMNEJXPJUTAMK-JTQLQIEISA-N 2 2 277.328 -0.133 20 0 CBADLP [NH3+][C@@H]1C[C@@H]1C(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000852863147 583563314 /nfs/dbraw/zinc/56/33/14/583563314.db2.gz AUQPPEMBEGVVST-QWHCGFSZSA-N 2 2 267.373 -0.096 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)C2=NO[C@H](C[NH3+])C2)[C@H](C)CO1 ZINC000852903118 583572629 /nfs/dbraw/zinc/57/26/29/583572629.db2.gz VNUAUVNDVYCEFY-MXWKQRLJSA-N 2 2 284.360 -0.685 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)C2=NO[C@H](C[NH3+])C2)[C@H](C)CO1 ZINC000852903118 583572630 /nfs/dbraw/zinc/57/26/30/583572630.db2.gz VNUAUVNDVYCEFY-MXWKQRLJSA-N 2 2 284.360 -0.685 20 0 CBADLP O=C(CO[C@@H]1CCC[NH2+]C1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000852906718 583573250 /nfs/dbraw/zinc/57/32/50/583573250.db2.gz PMMQGOFKRVVQLK-UONOGXRCSA-N 2 2 297.399 -0.312 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCC[S@@](C)=O ZINC000853784796 583590029 /nfs/dbraw/zinc/59/00/29/583590029.db2.gz YNPKMNHZLXJSLU-LJQANCHMSA-N 2 2 292.449 -0.452 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCC[S@@](C)=O ZINC000853784796 583590031 /nfs/dbraw/zinc/59/00/31/583590031.db2.gz YNPKMNHZLXJSLU-LJQANCHMSA-N 2 2 292.449 -0.452 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000854352801 583599679 /nfs/dbraw/zinc/59/96/79/583599679.db2.gz KROTXVRLOWDRQH-LLVKDONJSA-N 2 2 263.345 -0.542 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000854352801 583599681 /nfs/dbraw/zinc/59/96/81/583599681.db2.gz KROTXVRLOWDRQH-LLVKDONJSA-N 2 2 263.345 -0.542 20 0 CBADLP COCCOCC[NH+]1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000855033785 583632565 /nfs/dbraw/zinc/63/25/65/583632565.db2.gz OTOKLLLGBNHNCZ-UHFFFAOYSA-N 2 2 296.371 -0.241 20 0 CBADLP CN1CCC[C@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)C1=O ZINC000855414327 583638492 /nfs/dbraw/zinc/63/84/92/583638492.db2.gz BCBPQESYCOPPIP-CYBMUJFWSA-N 2 2 298.431 -0.146 20 0 CBADLP CN1CCC[C@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)C1=O ZINC000855414327 583638493 /nfs/dbraw/zinc/63/84/93/583638493.db2.gz BCBPQESYCOPPIP-CYBMUJFWSA-N 2 2 298.431 -0.146 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1CCCN1C=O ZINC000855417523 583639116 /nfs/dbraw/zinc/63/91/16/583639116.db2.gz ILZXTKFCZIVOTG-CYBMUJFWSA-N 2 2 284.404 -0.393 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1CCCN1C=O ZINC000855417523 583639118 /nfs/dbraw/zinc/63/91/18/583639118.db2.gz ILZXTKFCZIVOTG-CYBMUJFWSA-N 2 2 284.404 -0.393 20 0 CBADLP CN1N=C(C(=O)NCC[N@H+](C)CCC[NH+](C)C)CCC1=O ZINC000855417216 583639164 /nfs/dbraw/zinc/63/91/64/583639164.db2.gz VQKZEDJOPHKSJM-UHFFFAOYSA-N 2 2 297.403 -0.406 20 0 CBADLP CN1N=C(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)CCC1=O ZINC000855417216 583639166 /nfs/dbraw/zinc/63/91/66/583639166.db2.gz VQKZEDJOPHKSJM-UHFFFAOYSA-N 2 2 297.403 -0.406 20 0 CBADLP CCn1ncc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)n1 ZINC000857087272 583663706 /nfs/dbraw/zinc/66/37/06/583663706.db2.gz RNQISGVOJDQICP-CYBMUJFWSA-N 2 2 264.377 -0.223 20 0 CBADLP CCn1ncc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)n1 ZINC000857087272 583663707 /nfs/dbraw/zinc/66/37/07/583663707.db2.gz RNQISGVOJDQICP-CYBMUJFWSA-N 2 2 264.377 -0.223 20 0 CBADLP C[C@H]([NH3+])CCNC(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000857111725 583665534 /nfs/dbraw/zinc/66/55/34/583665534.db2.gz UIYVBMGLODXQBS-LBPRGKRZSA-N 2 2 288.392 -0.940 20 0 CBADLP C[C@H]([NH3+])CCNC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000857111698 583665635 /nfs/dbraw/zinc/66/56/35/583665635.db2.gz STAITLTUPKEVSS-JTQLQIEISA-N 2 2 285.392 -0.685 20 0 CBADLP C[C@H]([NH3+])CCNC(=O)N(C)CC[NH+]1CCOCC1 ZINC000857113196 583665771 /nfs/dbraw/zinc/66/57/71/583665771.db2.gz PKJDOEDBWSUJPU-NSHDSACASA-N 2 2 258.366 -0.303 20 0 CBADLP O=C(N[C@H]1CCn2c[nH+]cc21)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000857981237 583685993 /nfs/dbraw/zinc/68/59/93/583685993.db2.gz YCBZFDQBCBDXLN-AAEUAGOBSA-N 2 2 275.356 -0.166 20 0 CBADLP O=C(N[C@H]1CCn2c[nH+]cc21)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000857981237 583685994 /nfs/dbraw/zinc/68/59/94/583685994.db2.gz YCBZFDQBCBDXLN-AAEUAGOBSA-N 2 2 275.356 -0.166 20 0 CBADLP CON(C)C(=O)[C@H](C)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000858320000 583691388 /nfs/dbraw/zinc/69/13/88/583691388.db2.gz VJFIEPUDGUBHQN-VIFPVBQESA-N 2 2 269.349 -0.016 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N(C)C[C@H](C)[NH3+] ZINC000861555295 583770266 /nfs/dbraw/zinc/77/02/66/583770266.db2.gz LPLJIDTXGUXZEA-WDEREUQCSA-N 2 2 258.366 -0.304 20 0 CBADLP C[C@@H]([NH3+])CN(C)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000861555292 583770357 /nfs/dbraw/zinc/77/03/57/583770357.db2.gz LPLJIDTXGUXZEA-GHMZBOCLSA-N 2 2 258.366 -0.304 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000861646525 583775188 /nfs/dbraw/zinc/77/51/88/583775188.db2.gz RNRQWQQUSNOORY-VHSXEESVSA-N 2 2 292.330 -0.387 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000861646525 583775189 /nfs/dbraw/zinc/77/51/89/583775189.db2.gz RNRQWQQUSNOORY-VHSXEESVSA-N 2 2 292.330 -0.387 20 0 CBADLP COC(=O)C1=CC[C@H](NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])C1 ZINC000861657435 583776073 /nfs/dbraw/zinc/77/60/73/583776073.db2.gz BBDBVUOUJAXCSA-NWDGAFQWSA-N 2 2 296.371 -0.468 20 0 CBADLP COC(=O)C1=CC[C@H](NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])C1 ZINC000861657435 583776074 /nfs/dbraw/zinc/77/60/74/583776074.db2.gz BBDBVUOUJAXCSA-NWDGAFQWSA-N 2 2 296.371 -0.468 20 0 CBADLP COC(=O)C1=CC[C@H](NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])C1 ZINC000861657436 583776130 /nfs/dbraw/zinc/77/61/30/583776130.db2.gz BBDBVUOUJAXCSA-RYUDHWBXSA-N 2 2 296.371 -0.468 20 0 CBADLP COC(=O)C1=CC[C@H](NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])C1 ZINC000861657436 583776131 /nfs/dbraw/zinc/77/61/31/583776131.db2.gz BBDBVUOUJAXCSA-RYUDHWBXSA-N 2 2 296.371 -0.468 20 0 CBADLP C[C@H]([NH3+])CN(C)C(=O)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000861750028 583783670 /nfs/dbraw/zinc/78/36/70/583783670.db2.gz CZHHSRDVHFKGIJ-JTQLQIEISA-N 2 2 289.339 -0.244 20 0 CBADLP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000861767333 583785287 /nfs/dbraw/zinc/78/52/87/583785287.db2.gz PFZDXPACLAAEJI-NXEZZACHSA-N 2 2 267.333 -0.807 20 0 CBADLP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000861767341 583785317 /nfs/dbraw/zinc/78/53/17/583785317.db2.gz PFZDXPACLAAEJI-ZJUUUORDSA-N 2 2 267.333 -0.807 20 0 CBADLP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000861771653 583785671 /nfs/dbraw/zinc/78/56/71/583785671.db2.gz WWTQTXDVKJCYJX-SNVBAGLBSA-N 2 2 267.333 -0.805 20 0 CBADLP C[NH+](C)CCCNC(=S)NC[C@H]1COCC[N@@H+]1C ZINC000863226372 583834810 /nfs/dbraw/zinc/83/48/10/583834810.db2.gz CHZMUPVSZSHYIT-NSHDSACASA-N 2 2 274.434 -0.267 20 0 CBADLP C[NH+](C)CCCNC(=S)NC[C@H]1COCC[N@H+]1C ZINC000863226372 583834811 /nfs/dbraw/zinc/83/48/11/583834811.db2.gz CHZMUPVSZSHYIT-NSHDSACASA-N 2 2 274.434 -0.267 20 0 CBADLP CON(C)C(=O)[C@H](C)[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000863548719 583846136 /nfs/dbraw/zinc/84/61/36/583846136.db2.gz SBQOFVFORRVRQF-GARJFASQSA-N 2 2 259.350 -0.249 20 0 CBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CCCCC[NH3+] ZINC000863583174 583847677 /nfs/dbraw/zinc/84/76/77/583847677.db2.gz OZEUXNRORALCER-CYBMUJFWSA-N 2 2 287.404 -0.343 20 0 CBADLP C[N@@H+]1CCN(C(=O)[C@H]2CC[NH+]2C(C)(C)C)C[C@@H]1CO ZINC000864077213 583871376 /nfs/dbraw/zinc/87/13/76/583871376.db2.gz CQXIHTPOSPGJDE-VXGBXAGGSA-N 2 2 269.389 -0.006 20 0 CBADLP C[N@H+]1CCN(C(=O)[C@H]2CC[NH+]2C(C)(C)C)C[C@@H]1CO ZINC000864077213 583871377 /nfs/dbraw/zinc/87/13/77/583871377.db2.gz CQXIHTPOSPGJDE-VXGBXAGGSA-N 2 2 269.389 -0.006 20 0 CBADLP C[NH+]1CCN(C(=O)[C@H]2CC[N@@H+]2C(C)(C)C)C[C@@H]1CO ZINC000864077213 583871379 /nfs/dbraw/zinc/87/13/79/583871379.db2.gz CQXIHTPOSPGJDE-VXGBXAGGSA-N 2 2 269.389 -0.006 20 0 CBADLP C[NH+]1CCN(C(=O)[C@H]2CC[N@H+]2C(C)(C)C)C[C@@H]1CO ZINC000864077213 583871381 /nfs/dbraw/zinc/87/13/81/583871381.db2.gz CQXIHTPOSPGJDE-VXGBXAGGSA-N 2 2 269.389 -0.006 20 0 CBADLP C[NH+](C)[C@H]1CCCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)C1 ZINC000865130586 583897954 /nfs/dbraw/zinc/89/79/54/583897954.db2.gz OOMDOHBAGUYSTB-GXSJLCMTSA-N 2 2 252.318 -0.004 20 0 CBADLP O=C(NCC[NH+]1CCOCC1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000865344301 583903753 /nfs/dbraw/zinc/90/37/53/583903753.db2.gz DSTVSLMCVLQCQI-CHWSQXEVSA-N 2 2 282.388 -0.146 20 0 CBADLP CC[N@@H+]1CCCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)CC1 ZINC000865619194 583906672 /nfs/dbraw/zinc/90/66/72/583906672.db2.gz DUOAZEIQOFOFTE-NSHDSACASA-N 2 2 252.318 -0.003 20 0 CBADLP CC[N@H+]1CCCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)CC1 ZINC000865619194 583906674 /nfs/dbraw/zinc/90/66/74/583906674.db2.gz DUOAZEIQOFOFTE-NSHDSACASA-N 2 2 252.318 -0.003 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@@]12COC(=O)N1CCOC2 ZINC000865770603 583909023 /nfs/dbraw/zinc/90/90/23/583909023.db2.gz SWXCQHNGHCPRHT-NQBHXWOUSA-N 2 2 269.345 -0.253 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@@]12COC(=O)N1CCOC2 ZINC000865770603 583909024 /nfs/dbraw/zinc/90/90/24/583909024.db2.gz SWXCQHNGHCPRHT-NQBHXWOUSA-N 2 2 269.345 -0.253 20 0 CBADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CC(C)(C)CS(N)(=O)=O ZINC000865813398 583910572 /nfs/dbraw/zinc/91/05/72/583910572.db2.gz RCXIEDXWUQSGSW-VHSXEESVSA-N 2 2 263.407 -0.159 20 0 CBADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CC(C)(C)CS(N)(=O)=O ZINC000865813398 583910573 /nfs/dbraw/zinc/91/05/73/583910573.db2.gz RCXIEDXWUQSGSW-VHSXEESVSA-N 2 2 263.407 -0.159 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC(C)(C)CS(N)(=O)=O ZINC000865813399 583910607 /nfs/dbraw/zinc/91/06/07/583910607.db2.gz RCXIEDXWUQSGSW-ZJUUUORDSA-N 2 2 263.407 -0.159 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC(C)(C)CS(N)(=O)=O ZINC000865813399 583910609 /nfs/dbraw/zinc/91/06/09/583910609.db2.gz RCXIEDXWUQSGSW-ZJUUUORDSA-N 2 2 263.407 -0.159 20 0 CBADLP CN(CC[NH+](C)C)C(=O)/C=C/C[NH+]1CCOCC1 ZINC000866311982 583920099 /nfs/dbraw/zinc/92/00/99/583920099.db2.gz XRICNPSFXUBLEU-SNAWJCMRSA-N 2 2 255.362 -0.105 20 0 CBADLP COC(=O)CCNC(=O)C[N@@H+]1CC[NH2+]CCC1(C)C ZINC000866700046 583927589 /nfs/dbraw/zinc/92/75/89/583927589.db2.gz ZSFPERWSEHHXDQ-UHFFFAOYSA-N 2 2 271.361 -0.260 20 0 CBADLP COC(=O)CCNC(=O)C[N@H+]1CC[NH2+]CCC1(C)C ZINC000866700046 583927591 /nfs/dbraw/zinc/92/75/91/583927591.db2.gz ZSFPERWSEHHXDQ-UHFFFAOYSA-N 2 2 271.361 -0.260 20 0 CBADLP COC(=O)CN(C)C(=O)CC[N@@H+]1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000866723674 583928945 /nfs/dbraw/zinc/92/89/45/583928945.db2.gz IVMFJNJVYGOEPT-NEPJUHHUSA-N 2 2 283.372 -0.166 20 0 CBADLP COC(=O)CN(C)C(=O)CC[N@H+]1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000866723674 583928948 /nfs/dbraw/zinc/92/89/48/583928948.db2.gz IVMFJNJVYGOEPT-NEPJUHHUSA-N 2 2 283.372 -0.166 20 0 CBADLP C[NH+](C)C1(CS(=O)(=O)N[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000866768296 583931798 /nfs/dbraw/zinc/93/17/98/583931798.db2.gz ANHUCNVOSAGLFB-SECBINFHSA-N 2 2 297.371 -0.003 20 0 CBADLP CC[C@@H](CO)[NH+]1CCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)CC1 ZINC000866810865 583933762 /nfs/dbraw/zinc/93/37/62/583933762.db2.gz XIPSFVSWNOGFNO-JQWIXIFHSA-N 2 2 282.344 -0.642 20 0 CBADLP CC(C)(CO)[NH+]1CCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)CC1 ZINC000867016043 583938360 /nfs/dbraw/zinc/93/83/60/583938360.db2.gz NDAQCEJEBHQWJE-LLVKDONJSA-N 2 2 282.344 -0.642 20 0 CBADLP CS[C@@H]1CN(C(=O)[C@H](O)c2c[nH+]c[nH]2)C[C@@H]1[NH+](C)C ZINC000867021046 583938650 /nfs/dbraw/zinc/93/86/50/583938650.db2.gz PATZGFAMZRGNHT-HBNTYKKESA-N 2 2 284.385 -0.053 20 0 CBADLP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000867639817 583958971 /nfs/dbraw/zinc/95/89/71/583958971.db2.gz FLJOCKXSAFDOQY-PWSUYJOCSA-N 2 2 296.371 -0.253 20 0 CBADLP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000867639817 583958972 /nfs/dbraw/zinc/95/89/72/583958972.db2.gz FLJOCKXSAFDOQY-PWSUYJOCSA-N 2 2 296.371 -0.253 20 0 CBADLP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000867639818 583959075 /nfs/dbraw/zinc/95/90/75/583959075.db2.gz FLJOCKXSAFDOQY-ZYHUDNBSSA-N 2 2 296.371 -0.253 20 0 CBADLP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000867639818 583959077 /nfs/dbraw/zinc/95/90/77/583959077.db2.gz FLJOCKXSAFDOQY-ZYHUDNBSSA-N 2 2 296.371 -0.253 20 0 CBADLP C[N@@H+]1CCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)CC1(C)C ZINC000868029786 583969425 /nfs/dbraw/zinc/96/94/25/583969425.db2.gz PRAMJADYXQWBFE-SNVBAGLBSA-N 2 2 252.318 -0.004 20 0 CBADLP C[N@H+]1CCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)CC1(C)C ZINC000868029786 583969426 /nfs/dbraw/zinc/96/94/26/583969426.db2.gz PRAMJADYXQWBFE-SNVBAGLBSA-N 2 2 252.318 -0.004 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)CC1 ZINC000868417037 583978826 /nfs/dbraw/zinc/97/88/26/583978826.db2.gz ACUSMZVKBBKXKE-STQMWFEESA-N 2 2 294.399 -0.497 20 0 CBADLP C[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC000868418446 583978840 /nfs/dbraw/zinc/97/88/40/583978840.db2.gz KPUFJNIQUCAYAY-VXGBXAGGSA-N 2 2 280.372 -0.887 20 0 CBADLP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000869081598 583992138 /nfs/dbraw/zinc/99/21/38/583992138.db2.gz ONABFXYVOQVFLE-GXSJLCMTSA-N 2 2 295.343 -0.979 20 0 CBADLP O=C(/C=C\C[NH+]1CCOCC1)NCC[N@H+]1CC[C@H](O)C1 ZINC000869502500 584000823 /nfs/dbraw/zinc/00/08/23/584000823.db2.gz RFNSLVQCZMNCPO-FYDYADQUSA-N 2 2 283.372 -0.942 20 0 CBADLP O=C(/C=C\C[NH+]1CCOCC1)NCC[N@@H+]1CC[C@H](O)C1 ZINC000869502500 584000825 /nfs/dbraw/zinc/00/08/25/584000825.db2.gz RFNSLVQCZMNCPO-FYDYADQUSA-N 2 2 283.372 -0.942 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC000870059515 584007902 /nfs/dbraw/zinc/00/79/02/584007902.db2.gz JBJHEIFPBMAVQD-ZDUSSCGKSA-N 2 2 294.355 -0.557 20 0 CBADLP C[NH+](C)C1(C(=O)N2CCO[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC000870058673 584008016 /nfs/dbraw/zinc/00/80/16/584008016.db2.gz UUXMYROTBIZOFY-ZDUSSCGKSA-N 2 2 297.399 -0.360 20 0 CBADLP CC[NH+](CC)CC(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC000870066184 584008413 /nfs/dbraw/zinc/00/84/13/584008413.db2.gz ACJUYHGKROZMEA-CQSZACIVSA-N 2 2 299.415 -0.112 20 0 CBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CC[NH2+]CC1CC1 ZINC000870910123 584021220 /nfs/dbraw/zinc/02/12/20/584021220.db2.gz MBJBVMXFZDOWLD-CQSZACIVSA-N 2 2 299.415 -0.472 20 0 CBADLP Cc1ccn(C[C@H](C)C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])n1 ZINC000870937786 584021948 /nfs/dbraw/zinc/02/19/48/584021948.db2.gz AWLCMOCGBLRZLC-WCQYABFASA-N 2 2 279.388 -0.071 20 0 CBADLP Cc1ccn(C[C@H](C)C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])n1 ZINC000870937786 584021951 /nfs/dbraw/zinc/02/19/51/584021951.db2.gz AWLCMOCGBLRZLC-WCQYABFASA-N 2 2 279.388 -0.071 20 0 CBADLP C[N@@H+]1CCN(C(=O)CC[NH2+]CC2CC2)[C@H](C[NH3+])C1 ZINC000870938913 584022342 /nfs/dbraw/zinc/02/23/42/584022342.db2.gz WHGLBWNZJQOXTO-GFCCVEGCSA-N 3 2 254.378 -0.523 20 0 CBADLP C[N@H+]1CCN(C(=O)CC[NH2+]CC2CC2)[C@H](C[NH3+])C1 ZINC000870938913 584022343 /nfs/dbraw/zinc/02/23/43/584022343.db2.gz WHGLBWNZJQOXTO-GFCCVEGCSA-N 3 2 254.378 -0.523 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000870975246 584023597 /nfs/dbraw/zinc/02/35/97/584023597.db2.gz SYSJUBVMVPUXKB-ZSBIGDGJSA-N 2 2 280.372 -0.935 20 0 CBADLP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)CN2CC[NH2+]CC2=O)C1 ZINC000870994903 584024680 /nfs/dbraw/zinc/02/46/80/584024680.db2.gz XVQOSMPQTCMUAK-HNNXBMFYSA-N 2 2 296.415 -0.358 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC(CNC(=O)C(F)(F)F)C1 ZINC000871991850 584047366 /nfs/dbraw/zinc/04/73/66/584047366.db2.gz MARGVZWTHMRWCX-JTQLQIEISA-N 2 2 297.321 -0.091 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC(CNC(=O)C(F)(F)F)C1 ZINC000871991850 584047367 /nfs/dbraw/zinc/04/73/67/584047367.db2.gz MARGVZWTHMRWCX-JTQLQIEISA-N 2 2 297.321 -0.091 20 0 CBADLP C[NH2+]C[C@](C)(O)C[N@@H+]1C[C@]2(C)CS(=O)(=O)C[C@]2(C)C1 ZINC000872149085 584048273 /nfs/dbraw/zinc/04/82/73/584048273.db2.gz TZCMIXLRHPJFSM-XQQFMLRXSA-N 2 2 290.429 -0.287 20 0 CBADLP C[NH2+]C[C@](C)(O)C[N@H+]1C[C@]2(C)CS(=O)(=O)C[C@]2(C)C1 ZINC000872149085 584048275 /nfs/dbraw/zinc/04/82/75/584048275.db2.gz TZCMIXLRHPJFSM-XQQFMLRXSA-N 2 2 290.429 -0.287 20 0 CBADLP COC[C@@H](C)NC(=O)NC(=O)C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872152952 584048287 /nfs/dbraw/zinc/04/82/87/584048287.db2.gz XMDKXVJWSOKJCG-UHIISALHSA-N 2 2 298.387 -0.612 20 0 CBADLP COC[C@@H](C)NC(=O)NC(=O)C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872152952 584048289 /nfs/dbraw/zinc/04/82/89/584048289.db2.gz XMDKXVJWSOKJCG-UHIISALHSA-N 2 2 298.387 -0.612 20 0 CBADLP CN(Cc1cnn(C)c1)C(=O)C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872154527 584048565 /nfs/dbraw/zinc/04/85/65/584048565.db2.gz WQBRDPCYLGRAJY-DZGCQCFKSA-N 2 2 291.399 -0.080 20 0 CBADLP CN(Cc1cnn(C)c1)C(=O)C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872154527 584048566 /nfs/dbraw/zinc/04/85/66/584048566.db2.gz WQBRDPCYLGRAJY-DZGCQCFKSA-N 2 2 291.399 -0.080 20 0 CBADLP CC(C)(O)C[C@H](O)C[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000872214798 584050505 /nfs/dbraw/zinc/05/05/05/584050505.db2.gz FRPJALZNEXSCHN-STQMWFEESA-N 2 2 274.405 -0.055 20 0 CBADLP CC(C)(O)C[C@H](O)C[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000872214798 584050506 /nfs/dbraw/zinc/05/05/06/584050506.db2.gz FRPJALZNEXSCHN-STQMWFEESA-N 2 2 274.405 -0.055 20 0 CBADLP CC(C)(O)C[C@H](O)C[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000872214818 584050517 /nfs/dbraw/zinc/05/05/17/584050517.db2.gz GQHUZKVSVQVLOB-OLZOCXBDSA-N 2 2 274.405 -0.055 20 0 CBADLP CC(C)(O)C[C@H](O)C[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000872214818 584050520 /nfs/dbraw/zinc/05/05/20/584050520.db2.gz GQHUZKVSVQVLOB-OLZOCXBDSA-N 2 2 274.405 -0.055 20 0 CBADLP CC(C)(O)C[C@@H](O)C[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000872214781 584050556 /nfs/dbraw/zinc/05/05/56/584050556.db2.gz DXWZXRMALDWGLU-QWHCGFSZSA-N 2 2 274.405 -0.055 20 0 CBADLP CC(C)(O)C[C@@H](O)C[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000872214781 584050558 /nfs/dbraw/zinc/05/05/58/584050558.db2.gz DXWZXRMALDWGLU-QWHCGFSZSA-N 2 2 274.405 -0.055 20 0 CBADLP CC(C)(O)C[C@H](O)C[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000872214820 584050703 /nfs/dbraw/zinc/05/07/03/584050703.db2.gz GQHUZKVSVQVLOB-STQMWFEESA-N 2 2 274.405 -0.055 20 0 CBADLP CC(C)(O)C[C@H](O)C[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000872214820 584050704 /nfs/dbraw/zinc/05/07/04/584050704.db2.gz GQHUZKVSVQVLOB-STQMWFEESA-N 2 2 274.405 -0.055 20 0 CBADLP CC(C)(O)C[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC000872218508 584050772 /nfs/dbraw/zinc/05/07/72/584050772.db2.gz PAXIZXHBMFXRDZ-QWHCGFSZSA-N 2 2 282.388 -0.321 20 0 CBADLP CC(C)(O)C[N@H+]1CC[C@H]([NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC000872218508 584050774 /nfs/dbraw/zinc/05/07/74/584050774.db2.gz PAXIZXHBMFXRDZ-QWHCGFSZSA-N 2 2 282.388 -0.321 20 0 CBADLP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@H+](Cc2cc[nH]n2)C1 ZINC000872255429 584052326 /nfs/dbraw/zinc/05/23/26/584052326.db2.gz WWMYTXLKEIRGMF-GRYCIOLGSA-N 2 2 277.328 -0.223 20 0 CBADLP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@@H+](Cc2cc[nH]n2)C1 ZINC000872255429 584052328 /nfs/dbraw/zinc/05/23/28/584052328.db2.gz WWMYTXLKEIRGMF-GRYCIOLGSA-N 2 2 277.328 -0.223 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)CCO1 ZINC000872280594 584053191 /nfs/dbraw/zinc/05/31/91/584053191.db2.gz NFHMNOPHVOAESF-NMKXLXIOSA-N 2 2 267.373 -0.049 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)CCO1 ZINC000872280594 584053194 /nfs/dbraw/zinc/05/31/94/584053194.db2.gz NFHMNOPHVOAESF-NMKXLXIOSA-N 2 2 267.373 -0.049 20 0 CBADLP Nc1cnc(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cn1 ZINC000873209224 584068845 /nfs/dbraw/zinc/06/88/45/584068845.db2.gz IQDZZEPATLAAIF-GFCCVEGCSA-N 2 2 290.371 -0.545 20 0 CBADLP Nc1cnc(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cn1 ZINC000873209224 584068848 /nfs/dbraw/zinc/06/88/48/584068848.db2.gz IQDZZEPATLAAIF-GFCCVEGCSA-N 2 2 290.371 -0.545 20 0 CBADLP CCOC(=O)[C@H]1[NH2+]CC[C@H]1N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000873235800 584069173 /nfs/dbraw/zinc/06/91/73/584069173.db2.gz RBXJTZOAJWMTDE-XQQFMLRXSA-N 2 2 299.415 -0.285 20 0 CBADLP CCOC(=O)[C@H]1[NH2+]CC[C@H]1N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000873235800 584069175 /nfs/dbraw/zinc/06/91/75/584069175.db2.gz RBXJTZOAJWMTDE-XQQFMLRXSA-N 2 2 299.415 -0.285 20 0 CBADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC(C)(C)CS(N)(=O)=O ZINC000873261781 584069606 /nfs/dbraw/zinc/06/96/06/584069606.db2.gz GVZJUGDEPGMKTI-ZJUUUORDSA-N 2 2 263.407 -0.111 20 0 CBADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@@]12COCCN1C(=O)COC2 ZINC000873267221 584069916 /nfs/dbraw/zinc/06/99/16/584069916.db2.gz YDARECOULMNGQE-BZPMIXESSA-N 2 2 283.372 -0.798 20 0 CBADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC000874702888 584089039 /nfs/dbraw/zinc/08/90/39/584089039.db2.gz PFZJTMHLSZBNNL-UONOGXRCSA-N 2 2 299.415 -0.066 20 0 CBADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC000874702888 584089042 /nfs/dbraw/zinc/08/90/42/584089042.db2.gz PFZJTMHLSZBNNL-UONOGXRCSA-N 2 2 299.415 -0.066 20 0 CBADLP CC[C@H]1COCC[NH+]1CCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000874702888 584089045 /nfs/dbraw/zinc/08/90/45/584089045.db2.gz PFZJTMHLSZBNNL-UONOGXRCSA-N 2 2 299.415 -0.066 20 0 CBADLP CC[C@H]1COCC[NH+]1CCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000874702888 584089047 /nfs/dbraw/zinc/08/90/47/584089047.db2.gz PFZJTMHLSZBNNL-UONOGXRCSA-N 2 2 299.415 -0.066 20 0 CBADLP [NH3+]C1CCN(C(=O)/C=C\C[NH+]2CCOCC2)CC1 ZINC000876500882 584129622 /nfs/dbraw/zinc/12/96/22/584129622.db2.gz JRPXBQKBPKFMTC-UPHRSURJSA-N 2 2 253.346 -0.176 20 0 CBADLP O=C(/C=C\C[NH+]1CCOCC1)NCC1CC[NH2+]CC1 ZINC000876507996 584130121 /nfs/dbraw/zinc/13/01/21/584130121.db2.gz RJYWSQMOPKXHLX-UPHRSURJSA-N 2 2 267.373 -0.009 20 0 CBADLP CC(C)[C@H]([NH3+])CNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000876536880 584132155 /nfs/dbraw/zinc/13/21/55/584132155.db2.gz UBBATZJZRYBKPF-VSQXVHSFSA-N 2 2 255.362 -0.026 20 0 CBADLP C[N@@H+]1CCN(C(=O)[C@@H]2C[C@H]([NH3+])C2(C)C)[C@@H](C[NH3+])C1 ZINC000876542318 584132313 /nfs/dbraw/zinc/13/23/13/584132313.db2.gz NXRUHLOOTKARMA-DCAQKATOSA-N 3 2 254.378 -0.539 20 0 CBADLP C[N@H+]1CCN(C(=O)[C@@H]2C[C@H]([NH3+])C2(C)C)[C@@H](C[NH3+])C1 ZINC000876542318 584132316 /nfs/dbraw/zinc/13/23/16/584132316.db2.gz NXRUHLOOTKARMA-DCAQKATOSA-N 3 2 254.378 -0.539 20 0 CBADLP C[N@@H+]1CCN(C(=O)[C@@H]2C[C@@H]([NH3+])C2(C)C)[C@@H](C[NH3+])C1 ZINC000876542320 584132382 /nfs/dbraw/zinc/13/23/82/584132382.db2.gz NXRUHLOOTKARMA-GARJFASQSA-N 3 2 254.378 -0.539 20 0 CBADLP C[N@H+]1CCN(C(=O)[C@@H]2C[C@@H]([NH3+])C2(C)C)[C@@H](C[NH3+])C1 ZINC000876542320 584132384 /nfs/dbraw/zinc/13/23/84/584132384.db2.gz NXRUHLOOTKARMA-GARJFASQSA-N 3 2 254.378 -0.539 20 0 CBADLP C[N@@H+]1CCN(C(=O)[C@@H]2C[C@H]([NH3+])C2(C)C)[C@H](C[NH3+])C1 ZINC000876542336 584132486 /nfs/dbraw/zinc/13/24/86/584132486.db2.gz NXRUHLOOTKARMA-VWYCJHECSA-N 3 2 254.378 -0.539 20 0 CBADLP C[N@H+]1CCN(C(=O)[C@@H]2C[C@H]([NH3+])C2(C)C)[C@H](C[NH3+])C1 ZINC000876542336 584132488 /nfs/dbraw/zinc/13/24/88/584132488.db2.gz NXRUHLOOTKARMA-VWYCJHECSA-N 3 2 254.378 -0.539 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@@H]2C[C@@H]([NH3+])C2(C)C)CC1 ZINC000876723725 584141033 /nfs/dbraw/zinc/14/10/33/584141033.db2.gz GIJXIRDIQVEDFP-QWHCGFSZSA-N 2 2 296.415 -0.360 20 0 CBADLP COC[C@@]1(C(=O)NC[C@H](C)Cn2cc[nH+]c2)C[NH2+]CCO1 ZINC000876731560 584141372 /nfs/dbraw/zinc/14/13/72/584141372.db2.gz SFBJOFNKWQIALN-GXTWGEPZSA-N 2 2 296.371 -0.360 20 0 CBADLP C[C@H](C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)N1CC[NH2+]CC1=O ZINC000876768335 584143723 /nfs/dbraw/zinc/14/37/23/584143723.db2.gz HUVYRCPJPNFYCA-FRRDWIJNSA-N 2 2 296.415 -0.204 20 0 CBADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876783113 584144268 /nfs/dbraw/zinc/14/42/68/584144268.db2.gz ZYLREVHSOHTQHR-DCAQKATOSA-N 2 2 290.358 -0.422 20 0 CBADLP CC[NH2+][C@H](C)CNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000876837658 584148538 /nfs/dbraw/zinc/14/85/38/584148538.db2.gz STYCGFLEMDJZGR-ZYOFXKKJSA-N 2 2 255.362 -0.011 20 0 CBADLP O=C(/C=C\C[NH+]1CCOCC1)N1CC[NH2+]C[C@@H]1C(F)F ZINC000876852258 584149686 /nfs/dbraw/zinc/14/96/86/584149686.db2.gz BQBFUWBVYCQSNL-RFMOXSJOSA-N 2 2 289.326 -0.060 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H](N)C[NH+](C)C)[C@@H](C)CO1 ZINC000876961228 584158647 /nfs/dbraw/zinc/15/86/47/584158647.db2.gz SJZDDMBXHJMATK-TUAOUCFPSA-N 2 2 272.393 -0.899 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H](N)C[NH+](C)C)[C@@H](C)CO1 ZINC000876961228 584158649 /nfs/dbraw/zinc/15/86/49/584158649.db2.gz SJZDDMBXHJMATK-TUAOUCFPSA-N 2 2 272.393 -0.899 20 0 CBADLP [NH3+]C[C@@H]1[C@H](C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1(F)F ZINC000876966848 584158827 /nfs/dbraw/zinc/15/88/27/584158827.db2.gz XOKHPTGAYPUWLB-GMTAPVOTSA-N 2 2 289.326 -0.241 20 0 CBADLP [NH3+]CC12CC(C1)CN2C(=O)/C=C/C[NH+]1CCOCC1 ZINC000876968351 584158846 /nfs/dbraw/zinc/15/88/46/584158846.db2.gz GPCHIQCCVLHDQZ-OWOJBTEDSA-N 2 2 265.357 -0.176 20 0 CBADLP C[C@]1(NC(=O)/C=C/C[NH+]2CCOCC2)CC[NH2+]C1 ZINC000876980850 584159692 /nfs/dbraw/zinc/15/96/92/584159692.db2.gz NZNHCVMCKXBACB-IBUXWKBASA-N 2 2 253.346 -0.257 20 0 CBADLP COC(=O)C1=CC[C@@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000877002299 584161275 /nfs/dbraw/zinc/16/12/75/584161275.db2.gz RKBQNQPELXKACS-MNOVXSKESA-N 2 2 269.345 -0.357 20 0 CBADLP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000877034425 584162778 /nfs/dbraw/zinc/16/27/78/584162778.db2.gz HSQPQDASRMTWDI-QBZPMXGOSA-N 2 2 267.373 -0.155 20 0 CBADLP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]1COCC[N@H+]1C ZINC000877034425 584162779 /nfs/dbraw/zinc/16/27/79/584162779.db2.gz HSQPQDASRMTWDI-QBZPMXGOSA-N 2 2 267.373 -0.155 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N(C)C[C@H](C)[NH3+] ZINC000877105887 584166308 /nfs/dbraw/zinc/16/63/08/584166308.db2.gz NJFCISOPATUFPV-JTQLQIEISA-N 2 2 258.366 -0.752 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N(C)C[C@H](C)[NH3+] ZINC000877105887 584166309 /nfs/dbraw/zinc/16/63/09/584166309.db2.gz NJFCISOPATUFPV-JTQLQIEISA-N 2 2 258.366 -0.752 20 0 CBADLP C[C@@H](C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1)N1CC[NH2+]CC1=O ZINC000877150826 584168216 /nfs/dbraw/zinc/16/82/16/584168216.db2.gz CVPGJTBRIYQYBE-RYUDHWBXSA-N 2 2 296.415 -0.299 20 0 CBADLP O=C(/C=C/C[NH+]1CCOCC1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877172552 584169157 /nfs/dbraw/zinc/16/91/57/584169157.db2.gz TTWOBNWNUBNVOW-DQOPJHAQSA-N 2 2 265.357 -0.162 20 0 CBADLP CNC(=O)NC[C@H]1CCCCN1C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000877200903 584170472 /nfs/dbraw/zinc/17/04/72/584170472.db2.gz UQPXMYZEKLHDGY-NEPJUHHUSA-N 2 2 299.419 -0.425 20 0 CBADLP C[C@@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[NH2+]CC1=O ZINC000877245526 584171863 /nfs/dbraw/zinc/17/18/63/584171863.db2.gz FIMQSNIHIVHWFJ-RVMXOQNASA-N 2 2 294.399 -0.547 20 0 CBADLP C[N@@H+]1CCn2nc(NC(=O)CN3CC[NH2+]CC3)cc2C1 ZINC000877267056 584173782 /nfs/dbraw/zinc/17/37/82/584173782.db2.gz XJSGLWZZCIGFEU-UHFFFAOYSA-N 2 2 278.360 -0.828 20 0 CBADLP C[N@H+]1CCn2nc(NC(=O)CN3CC[NH2+]CC3)cc2C1 ZINC000877267056 584173783 /nfs/dbraw/zinc/17/37/83/584173783.db2.gz XJSGLWZZCIGFEU-UHFFFAOYSA-N 2 2 278.360 -0.828 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877388743 584180427 /nfs/dbraw/zinc/18/04/27/584180427.db2.gz FFBJIDFVQUIUIX-DOMZBBRYSA-N 2 2 296.415 -0.156 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877388743 584180429 /nfs/dbraw/zinc/18/04/29/584180429.db2.gz FFBJIDFVQUIUIX-DOMZBBRYSA-N 2 2 296.415 -0.156 20 0 CBADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)C1(OC)CC[NH2+]CC1 ZINC000877432820 584180990 /nfs/dbraw/zinc/18/09/90/584180990.db2.gz HXRACYSDIYVLIQ-ZDUSSCGKSA-N 2 2 299.415 -0.018 20 0 CBADLP CC[C@H]1COCC[N@H+]1CCNC(=O)C1(OC)CC[NH2+]CC1 ZINC000877432820 584180991 /nfs/dbraw/zinc/18/09/91/584180991.db2.gz HXRACYSDIYVLIQ-ZDUSSCGKSA-N 2 2 299.415 -0.018 20 0 CBADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000877433514 584181246 /nfs/dbraw/zinc/18/12/46/584181246.db2.gz VOUDCLJMIURHFT-NEPJUHHUSA-N 2 2 255.362 -0.035 20 0 CBADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000877433514 584181248 /nfs/dbraw/zinc/18/12/48/584181248.db2.gz VOUDCLJMIURHFT-NEPJUHHUSA-N 2 2 255.362 -0.035 20 0 CBADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@]1(COC)CC[NH2+]C1 ZINC000877434027 584181520 /nfs/dbraw/zinc/18/15/20/584181520.db2.gz MDNKODUZPHCBOH-HIFRSBDPSA-N 2 2 299.415 -0.161 20 0 CBADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@@]1(COC)CC[NH2+]C1 ZINC000877434027 584181522 /nfs/dbraw/zinc/18/15/22/584181522.db2.gz MDNKODUZPHCBOH-HIFRSBDPSA-N 2 2 299.415 -0.161 20 0 CBADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)c1cn(CC[NH3+])nn1 ZINC000877434621 584182103 /nfs/dbraw/zinc/18/21/03/584182103.db2.gz TVTYWNNIDLUXMD-LLVKDONJSA-N 2 2 296.375 -0.923 20 0 CBADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)c1cn(CC[NH3+])nn1 ZINC000877434621 584182105 /nfs/dbraw/zinc/18/21/05/584182105.db2.gz TVTYWNNIDLUXMD-LLVKDONJSA-N 2 2 296.375 -0.923 20 0 CBADLP C[NH+]1CCC(NC(=O)C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000877982541 584189791 /nfs/dbraw/zinc/18/97/91/584189791.db2.gz WNGKVBFETFKRHD-VXGBXAGGSA-N 3 2 266.389 -0.652 20 0 CBADLP C[N@H+](CCN1CCCC1=O)CC(=O)NC1CC[NH+](C)CC1 ZINC000878101640 584192816 /nfs/dbraw/zinc/19/28/16/584192816.db2.gz HQFTWWZQGJXCIU-UHFFFAOYSA-N 2 2 296.415 -0.249 20 0 CBADLP C[N@@H+](CCN1CCCC1=O)CC(=O)NC1CC[NH+](C)CC1 ZINC000878101640 584192817 /nfs/dbraw/zinc/19/28/17/584192817.db2.gz HQFTWWZQGJXCIU-UHFFFAOYSA-N 2 2 296.415 -0.249 20 0 CBADLP C[NH+]1CCC(NC(=O)C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)CC1 ZINC000878331348 584200438 /nfs/dbraw/zinc/20/04/38/584200438.db2.gz SHCMOOOPHYDSMR-CYBMUJFWSA-N 2 2 294.399 -0.497 20 0 CBADLP C[NH+]1CCC(NC(=O)C[N@H+]2CCN3C(=O)CC[C@@H]3C2)CC1 ZINC000878331348 584200440 /nfs/dbraw/zinc/20/04/40/584200440.db2.gz SHCMOOOPHYDSMR-CYBMUJFWSA-N 2 2 294.399 -0.497 20 0 CBADLP NC(=O)[C@@H](F)C1CC[NH+](C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000879047408 584225226 /nfs/dbraw/zinc/22/52/26/584225226.db2.gz OEZCOLMUVCDFSO-STQMWFEESA-N 2 2 287.379 -0.022 20 0 CBADLP COC[C@]1(C)C[N@H+](CC(=O)NC2CC[NH+](C)CC2)CCO1 ZINC000879067296 584226110 /nfs/dbraw/zinc/22/61/10/584226110.db2.gz VAYHRIIDRBJGQF-HNNXBMFYSA-N 2 2 299.415 -0.066 20 0 CBADLP COC[C@]1(C)C[N@@H+](CC(=O)NC2CC[NH+](C)CC2)CCO1 ZINC000879067296 584226113 /nfs/dbraw/zinc/22/61/13/584226113.db2.gz VAYHRIIDRBJGQF-HNNXBMFYSA-N 2 2 299.415 -0.066 20 0 CBADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H](O)c1ccccn1 ZINC000879355639 584233011 /nfs/dbraw/zinc/23/30/11/584233011.db2.gz HWJTZVCAHNHKBL-CQSZACIVSA-N 2 2 292.383 -0.179 20 0 CBADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H](O)c1ccccn1 ZINC000879355639 584233014 /nfs/dbraw/zinc/23/30/14/584233014.db2.gz HWJTZVCAHNHKBL-CQSZACIVSA-N 2 2 292.383 -0.179 20 0 CBADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H](O)CC(C)(C)O ZINC000879356371 584233349 /nfs/dbraw/zinc/23/33/49/584233349.db2.gz JFFPJLIPVQHSFU-LBPRGKRZSA-N 2 2 287.404 -0.786 20 0 CBADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H](O)CC(C)(C)O ZINC000879356371 584233350 /nfs/dbraw/zinc/23/33/50/584233350.db2.gz JFFPJLIPVQHSFU-LBPRGKRZSA-N 2 2 287.404 -0.786 20 0 CBADLP COC(=O)CCNC(=O)C[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879567045 584240741 /nfs/dbraw/zinc/24/07/41/584240741.db2.gz LKLLEGXSBAWDLX-NWDGAFQWSA-N 2 2 283.372 -0.308 20 0 CBADLP COC(=O)CCNC(=O)C[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879567045 584240743 /nfs/dbraw/zinc/24/07/43/584240743.db2.gz LKLLEGXSBAWDLX-NWDGAFQWSA-N 2 2 283.372 -0.308 20 0 CBADLP COC(=O)CCNC(=O)C[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879567045 584240745 /nfs/dbraw/zinc/24/07/45/584240745.db2.gz LKLLEGXSBAWDLX-NWDGAFQWSA-N 2 2 283.372 -0.308 20 0 CBADLP COC(=O)CCNC(=O)C[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879567045 584240747 /nfs/dbraw/zinc/24/07/47/584240747.db2.gz LKLLEGXSBAWDLX-NWDGAFQWSA-N 2 2 283.372 -0.308 20 0 CBADLP C[N@@H+]1CC[C@H]2C[NH+](CCNS(C)(=O)=O)CC[C@@H]21 ZINC000879573487 584241181 /nfs/dbraw/zinc/24/11/81/584241181.db2.gz OUCGMNHSGPPEDE-QWRGUYRKSA-N 2 2 261.391 -0.438 20 0 CBADLP C[N@H+]1CC[C@H]2C[NH+](CCNS(C)(=O)=O)CC[C@@H]21 ZINC000879573487 584241184 /nfs/dbraw/zinc/24/11/84/584241184.db2.gz OUCGMNHSGPPEDE-QWRGUYRKSA-N 2 2 261.391 -0.438 20 0 CBADLP C[NH+]1CC[C@H]2C[N@H+](CCNS(C)(=O)=O)CC[C@@H]21 ZINC000879573487 584241185 /nfs/dbraw/zinc/24/11/85/584241185.db2.gz OUCGMNHSGPPEDE-QWRGUYRKSA-N 2 2 261.391 -0.438 20 0 CBADLP C[NH+]1CC[C@H]2C[N@@H+](CCNS(C)(=O)=O)CC[C@@H]21 ZINC000879573487 584241188 /nfs/dbraw/zinc/24/11/88/584241188.db2.gz OUCGMNHSGPPEDE-QWRGUYRKSA-N 2 2 261.391 -0.438 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2C[C@H](CO)[C@H](CO)C2)CC1 ZINC000879693109 584245323 /nfs/dbraw/zinc/24/53/23/584245323.db2.gz ZDMOLJBWDUSVHV-MELADBBJSA-N 2 2 299.415 -0.928 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2C[C@H](CO)[C@H](CO)C2)CC1 ZINC000879693109 584245324 /nfs/dbraw/zinc/24/53/24/584245324.db2.gz ZDMOLJBWDUSVHV-MELADBBJSA-N 2 2 299.415 -0.928 20 0 CBADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@H]2OCCNC(=O)[C@H]21 ZINC000879723937 584247938 /nfs/dbraw/zinc/24/79/38/584247938.db2.gz CRCLRAIIBOKLMS-STQMWFEESA-N 2 2 278.356 -0.058 20 0 CBADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@H]2OCCNC(=O)[C@H]21 ZINC000879723937 584247940 /nfs/dbraw/zinc/24/79/40/584247940.db2.gz CRCLRAIIBOKLMS-STQMWFEESA-N 2 2 278.356 -0.058 20 0 CBADLP C[N@H+](C[C@@H](O)C[NH+]1CCC(CO)(CO)CC1)C1CC1 ZINC000879971035 584257197 /nfs/dbraw/zinc/25/71/97/584257197.db2.gz KMJQFQVEDOWPLL-CYBMUJFWSA-N 2 2 272.389 -0.492 20 0 CBADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC(CO)(CO)CC1)C1CC1 ZINC000879971035 584257199 /nfs/dbraw/zinc/25/71/99/584257199.db2.gz KMJQFQVEDOWPLL-CYBMUJFWSA-N 2 2 272.389 -0.492 20 0 CBADLP C[NH+]1CCC(NC(=O)C[N@@H+]2CC=C[C@H]2CO)CC1 ZINC000880494599 584276562 /nfs/dbraw/zinc/27/65/62/584276562.db2.gz PKZCKHMBBQGTIL-LBPRGKRZSA-N 2 2 253.346 -0.571 20 0 CBADLP C[NH+]1CCC(NC(=O)C[N@H+]2CC=C[C@H]2CO)CC1 ZINC000880494599 584276564 /nfs/dbraw/zinc/27/65/64/584276564.db2.gz PKZCKHMBBQGTIL-LBPRGKRZSA-N 2 2 253.346 -0.571 20 0 CBADLP COC(=O)[C@@]1(O)CC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000880564693 584280770 /nfs/dbraw/zinc/28/07/70/584280770.db2.gz DOUJRNPKOLDPHP-DGCLKSJQSA-N 2 2 272.345 -0.949 20 0 CBADLP COC(=O)[C@@]1(O)CC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000880564693 584280771 /nfs/dbraw/zinc/28/07/71/584280771.db2.gz DOUJRNPKOLDPHP-DGCLKSJQSA-N 2 2 272.345 -0.949 20 0 CBADLP COC(=O)[C@@]1(O)CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000880564693 584280773 /nfs/dbraw/zinc/28/07/73/584280773.db2.gz DOUJRNPKOLDPHP-DGCLKSJQSA-N 2 2 272.345 -0.949 20 0 CBADLP COC(=O)[C@@]1(O)CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000880564693 584280775 /nfs/dbraw/zinc/28/07/75/584280775.db2.gz DOUJRNPKOLDPHP-DGCLKSJQSA-N 2 2 272.345 -0.949 20 0 CBADLP COC(=O)[C@@]1(O)CC[N@H+](CCn2cc[nH+]c2C)C1 ZINC000880565752 584281325 /nfs/dbraw/zinc/28/13/25/584281325.db2.gz HKXWTTJLDFDFBZ-GFCCVEGCSA-N 2 2 253.302 -0.199 20 0 CBADLP COC(=O)[C@@]1(O)CC[N@@H+](CCn2cc[nH+]c2C)C1 ZINC000880565752 584281328 /nfs/dbraw/zinc/28/13/28/584281328.db2.gz HKXWTTJLDFDFBZ-GFCCVEGCSA-N 2 2 253.302 -0.199 20 0 CBADLP COC(=O)[C@]1(O)CC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000880565149 584281496 /nfs/dbraw/zinc/28/14/96/584281496.db2.gz IKDMYUCYJVJXLX-LBPRGKRZSA-N 2 2 253.302 -0.428 20 0 CBADLP COC(=O)[C@]1(O)CC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000880565149 584281497 /nfs/dbraw/zinc/28/14/97/584281497.db2.gz IKDMYUCYJVJXLX-LBPRGKRZSA-N 2 2 253.302 -0.428 20 0 CBADLP CC[N@@H+]1CC[C@@H]1CNS(=O)(=O)CCn1cc[nH+]c1 ZINC000882763198 584324780 /nfs/dbraw/zinc/32/47/80/584324780.db2.gz HEKIZWBQLSFHMM-LLVKDONJSA-N 2 2 272.374 -0.103 20 0 CBADLP CC[N@H+]1CC[C@@H]1CNS(=O)(=O)CCn1cc[nH+]c1 ZINC000882763198 584324781 /nfs/dbraw/zinc/32/47/81/584324781.db2.gz HEKIZWBQLSFHMM-LLVKDONJSA-N 2 2 272.374 -0.103 20 0 CBADLP C[C@@H]([NH2+]CC[N@H+](C)CCOCCO)[C@H]1CCOC1 ZINC000883349716 584340129 /nfs/dbraw/zinc/34/01/29/584340129.db2.gz KQONPOVTYKIWLT-OLZOCXBDSA-N 2 2 260.378 -0.058 20 0 CBADLP C[C@@H]([NH2+]CC[N@@H+](C)CCOCCO)[C@H]1CCOC1 ZINC000883349716 584340131 /nfs/dbraw/zinc/34/01/31/584340131.db2.gz KQONPOVTYKIWLT-OLZOCXBDSA-N 2 2 260.378 -0.058 20 0 CBADLP CN(CC[NH2+]C1CC[NH+](C)CC1)CCOCCO ZINC000883348624 584340189 /nfs/dbraw/zinc/34/01/89/584340189.db2.gz YGWPLYGTUWFTEU-UHFFFAOYSA-N 2 2 259.394 -0.389 20 0 CBADLP C[N@H+](CC[NH2+]C[C@H]1CCCOC1)CCOCCO ZINC000883348716 584340268 /nfs/dbraw/zinc/34/02/68/584340268.db2.gz AYABLSLFYLFEPF-CYBMUJFWSA-N 2 2 260.378 -0.057 20 0 CBADLP C[N@@H+](CC[NH2+]C[C@H]1CCCOC1)CCOCCO ZINC000883348716 584340271 /nfs/dbraw/zinc/34/02/71/584340271.db2.gz AYABLSLFYLFEPF-CYBMUJFWSA-N 2 2 260.378 -0.057 20 0 CBADLP O=C1NCC[C@@H]2CCC[N@H+](C[C@@H]3C[NH2+]CCO3)[C@H]12 ZINC000883462414 584343576 /nfs/dbraw/zinc/34/35/76/584343576.db2.gz QRAXSDZILHOEPK-SRVKXCTJSA-N 2 2 253.346 -0.425 20 0 CBADLP O=C1NCC[C@@H]2CCC[N@@H+](C[C@@H]3C[NH2+]CCO3)[C@H]12 ZINC000883462414 584343577 /nfs/dbraw/zinc/34/35/77/584343577.db2.gz QRAXSDZILHOEPK-SRVKXCTJSA-N 2 2 253.346 -0.425 20 0 CBADLP C[N@@H+]1CCN(C(=O)[C@H]2C[NH2+]CC2(C)C)[C@@H](C[NH3+])C1 ZINC000884042058 584357394 /nfs/dbraw/zinc/35/73/94/584357394.db2.gz PACLUCAXMMAICB-WDEREUQCSA-N 3 2 254.378 -0.667 20 0 CBADLP C[N@H+]1CCN(C(=O)[C@H]2C[NH2+]CC2(C)C)[C@@H](C[NH3+])C1 ZINC000884042058 584357395 /nfs/dbraw/zinc/35/73/95/584357395.db2.gz PACLUCAXMMAICB-WDEREUQCSA-N 3 2 254.378 -0.667 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@@H]([NH3+])CC2CC2)CC1 ZINC000884189693 584365186 /nfs/dbraw/zinc/36/51/86/584365186.db2.gz LCRHGZTVZYXUII-ZDUSSCGKSA-N 2 2 282.388 -0.606 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)[C@H]([NH3+])CC2CC2)CCO1 ZINC000884205775 584366447 /nfs/dbraw/zinc/36/64/47/584366447.db2.gz FZOVXGOJYAMCSE-CMPLNLGQSA-N 2 2 255.362 -0.049 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)[C@H]([NH3+])CC2CC2)CCO1 ZINC000884205775 584366448 /nfs/dbraw/zinc/36/64/48/584366448.db2.gz FZOVXGOJYAMCSE-CMPLNLGQSA-N 2 2 255.362 -0.049 20 0 CBADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884235105 584369184 /nfs/dbraw/zinc/36/91/84/584369184.db2.gz MJDWULUFRQLKIP-CHWSQXEVSA-N 2 2 282.432 -0.016 20 0 CBADLP COCC[C@@H]([NH3+])C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000884316530 584374076 /nfs/dbraw/zinc/37/40/76/584374076.db2.gz VLPVHJCESPLFEF-GFCCVEGCSA-N 2 2 293.371 -0.203 20 0 CBADLP COCC[C@H]([NH3+])C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000884401106 584379119 /nfs/dbraw/zinc/37/91/19/584379119.db2.gz FBXRDNFSJGAHKM-TUAOUCFPSA-N 2 2 273.377 -0.424 20 0 CBADLP COCC[C@H]([NH3+])C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000884401106 584379120 /nfs/dbraw/zinc/37/91/20/584379120.db2.gz FBXRDNFSJGAHKM-TUAOUCFPSA-N 2 2 273.377 -0.424 20 0 CBADLP COCC[C@H]([NH3+])C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000884401107 584379132 /nfs/dbraw/zinc/37/91/32/584379132.db2.gz FBXRDNFSJGAHKM-UTUOFQBUSA-N 2 2 273.377 -0.424 20 0 CBADLP COCC[C@H]([NH3+])C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000884401107 584379134 /nfs/dbraw/zinc/37/91/34/584379134.db2.gz FBXRDNFSJGAHKM-UTUOFQBUSA-N 2 2 273.377 -0.424 20 0 CBADLP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000884651646 584392957 /nfs/dbraw/zinc/39/29/57/584392957.db2.gz VDTSJGAGYHHSIX-WDEREUQCSA-N 2 2 279.344 -0.663 20 0 CBADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000884682019 584395609 /nfs/dbraw/zinc/39/56/09/584395609.db2.gz MYYKERGURBYULS-SNVBAGLBSA-N 2 2 279.344 -0.374 20 0 CBADLP C[C@H]([NH3+])CNC(=O)C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000884684306 584395621 /nfs/dbraw/zinc/39/56/21/584395621.db2.gz BOUHWSOHSGILTG-GWCFXTLKSA-N 2 2 290.367 -0.247 20 0 CBADLP C[C@H]([NH3+])CNC(=O)C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000884684306 584395623 /nfs/dbraw/zinc/39/56/23/584395623.db2.gz BOUHWSOHSGILTG-GWCFXTLKSA-N 2 2 290.367 -0.247 20 0 CBADLP CC(C)[NH2+]CCCNC(=O)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000884690880 584397318 /nfs/dbraw/zinc/39/73/18/584397318.db2.gz OPZYWJBEHSRZOS-UHFFFAOYSA-N 2 2 281.360 -0.128 20 0 CBADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000884694155 584398066 /nfs/dbraw/zinc/39/80/66/584398066.db2.gz CRTYTQMZFHCKBZ-JTQLQIEISA-N 2 2 279.344 -0.374 20 0 CBADLP C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000884705479 584399533 /nfs/dbraw/zinc/39/95/33/584399533.db2.gz WDZNPFXGBHBWSH-GWCFXTLKSA-N 2 2 290.367 -0.247 20 0 CBADLP C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000884705479 584399535 /nfs/dbraw/zinc/39/95/35/584399535.db2.gz WDZNPFXGBHBWSH-GWCFXTLKSA-N 2 2 290.367 -0.247 20 0 CBADLP C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000884705480 584399567 /nfs/dbraw/zinc/39/95/67/584399567.db2.gz WDZNPFXGBHBWSH-GXFFZTMASA-N 2 2 290.367 -0.247 20 0 CBADLP C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000884705480 584399569 /nfs/dbraw/zinc/39/95/69/584399569.db2.gz WDZNPFXGBHBWSH-GXFFZTMASA-N 2 2 290.367 -0.247 20 0 CBADLP C[NH+](C)CC(=O)N1CC[NH+](C[C@](C)(O)C(F)F)CC1 ZINC000885951692 584429885 /nfs/dbraw/zinc/42/98/85/584429885.db2.gz ODNGOSMDRRTLDV-LBPRGKRZSA-N 2 2 279.331 -0.292 20 0 CBADLP Cc1n[nH]c(C[NH2+]CC(=O)N2CC[NH+](C)CC2)c1C ZINC000885949267 584429904 /nfs/dbraw/zinc/42/99/04/584429904.db2.gz RZJPVUZYWAYGNZ-UHFFFAOYSA-N 2 2 265.361 -0.110 20 0 CBADLP COC(=O)[C@H]1CC[C@H]([NH2+]CC[N@@H+]2CC[C@H](O)C2)C1 ZINC000886644821 584444076 /nfs/dbraw/zinc/44/40/76/584444076.db2.gz LIBIWLMQMPJBNY-SRVKXCTJSA-N 2 2 256.346 -0.016 20 0 CBADLP COC(=O)[C@H]1CC[C@H]([NH2+]CC[N@H+]2CC[C@H](O)C2)C1 ZINC000886644821 584444077 /nfs/dbraw/zinc/44/40/77/584444077.db2.gz LIBIWLMQMPJBNY-SRVKXCTJSA-N 2 2 256.346 -0.016 20 0 CBADLP C[C@H]([C@H](C)NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)[NH+]1CCOCC1 ZINC000891518579 584583983 /nfs/dbraw/zinc/58/39/83/584583983.db2.gz RJMDUGJPLWZHMV-RNJOBUHISA-N 2 2 282.388 -0.149 20 0 CBADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891527340 584584320 /nfs/dbraw/zinc/58/43/20/584584320.db2.gz KCSGYSSAOSIZRZ-AGIUHOORSA-N 2 2 281.404 -0.622 20 0 CBADLP CCc1cc(N2CC[NH2+][C@H](C(N)=O)C2)nc(CC)[nH+]1 ZINC000891648508 584588699 /nfs/dbraw/zinc/58/86/99/584588699.db2.gz PTAQSVLWHBVIRX-JTQLQIEISA-N 2 2 263.345 -0.135 20 0 CBADLP [NH3+]CCCNC(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000891986728 584597437 /nfs/dbraw/zinc/59/74/37/584597437.db2.gz UCCWWHQPJXQENX-UHFFFAOYSA-N 2 2 292.387 -0.305 20 0 CBADLP C[C@H]([NH3+])CNC(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000892101028 584604819 /nfs/dbraw/zinc/60/48/19/584604819.db2.gz AFWLYJKKYATMIV-LBPRGKRZSA-N 2 2 292.387 -0.307 20 0 CBADLP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000892286756 584612481 /nfs/dbraw/zinc/61/24/81/584612481.db2.gz BDKYBUCZTXPVFP-MXWKQRLJSA-N 2 2 256.350 -0.552 20 0 CBADLP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NC[C@H]1COCC[N@H+]1C ZINC000892286756 584612483 /nfs/dbraw/zinc/61/24/83/584612483.db2.gz BDKYBUCZTXPVFP-MXWKQRLJSA-N 2 2 256.350 -0.552 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000892287556 584612581 /nfs/dbraw/zinc/61/25/81/584612581.db2.gz PIDLNAGZLKYUER-SCRDCRAPSA-N 2 2 282.388 -0.099 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000892287556 584612584 /nfs/dbraw/zinc/61/25/84/584612584.db2.gz PIDLNAGZLKYUER-SCRDCRAPSA-N 2 2 282.388 -0.099 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000892287754 584613013 /nfs/dbraw/zinc/61/30/13/584613013.db2.gz VDRJJZZKSUTYKY-SGMGOOAPSA-N 2 2 282.388 -0.432 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000892287754 584613015 /nfs/dbraw/zinc/61/30/15/584613015.db2.gz VDRJJZZKSUTYKY-SGMGOOAPSA-N 2 2 282.388 -0.432 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)N2C[C@@H]3C[NH+](C)C[C@@H]3C2)CCO1 ZINC000892596909 584620434 /nfs/dbraw/zinc/62/04/34/584620434.db2.gz RBAZUCYAAUAQSC-MELADBBJSA-N 2 2 296.415 -0.090 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)N2C[C@@H]3C[NH+](C)C[C@@H]3C2)CCO1 ZINC000892596909 584620436 /nfs/dbraw/zinc/62/04/36/584620436.db2.gz RBAZUCYAAUAQSC-MELADBBJSA-N 2 2 296.415 -0.090 20 0 CBADLP C[C@H]1C[NH+](CCNC(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)CCO1 ZINC000892596909 584620439 /nfs/dbraw/zinc/62/04/39/584620439.db2.gz RBAZUCYAAUAQSC-MELADBBJSA-N 2 2 296.415 -0.090 20 0 CBADLP C[C@H]1C[NH+](CCNC(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)CCO1 ZINC000892596909 584620440 /nfs/dbraw/zinc/62/04/40/584620440.db2.gz RBAZUCYAAUAQSC-MELADBBJSA-N 2 2 296.415 -0.090 20 0 CBADLP Cc1cc(N)nc(N2CC[NH+](CC[S@@](C)=O)CC2)[nH+]1 ZINC000892654864 584622199 /nfs/dbraw/zinc/62/21/99/584622199.db2.gz MUAUFHOUESTFLE-LJQANCHMSA-N 2 2 283.401 -0.132 20 0 CBADLP CS(=O)(=O)C1CC([NH2+]CCC[NH+]2CCC(O)CC2)C1 ZINC000892670671 584622481 /nfs/dbraw/zinc/62/24/81/584622481.db2.gz WUYAXZUGIGGZJA-UHFFFAOYSA-N 2 2 290.429 -0.002 20 0 CBADLP CCO[C@@H]1C[C@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)[C@H]1OC ZINC000892714800 584623616 /nfs/dbraw/zinc/62/36/16/584623616.db2.gz SYOIHCFEMNNOJP-OUCADQQQSA-N 2 2 285.388 -0.458 20 0 CBADLP CN(C)c1cc(N2CCN(CC[NH+](C)C)C(=O)C2)nc[nH+]1 ZINC000894383126 584657107 /nfs/dbraw/zinc/65/71/07/584657107.db2.gz SRKIQCMMZKPJEE-UHFFFAOYSA-N 2 2 292.387 -0.247 20 0 CBADLP CN(C)c1cc(N2CCN(CC[NH+](C)C)C(=O)C2)[nH+]cn1 ZINC000894383126 584657109 /nfs/dbraw/zinc/65/71/09/584657109.db2.gz SRKIQCMMZKPJEE-UHFFFAOYSA-N 2 2 292.387 -0.247 20 0 CBADLP C[NH+](C)CCNC(=O)Cn1cc(NCc2c[nH+]c[nH]2)cn1 ZINC000894453265 584658217 /nfs/dbraw/zinc/65/82/17/584658217.db2.gz MZMDLXWZICQDTN-UHFFFAOYSA-N 2 2 291.359 -0.104 20 0 CBADLP C[NH+](C)CCNC(=O)Cn1cc(NCc2c[nH]c[nH+]2)cn1 ZINC000894453265 584658219 /nfs/dbraw/zinc/65/82/19/584658219.db2.gz MZMDLXWZICQDTN-UHFFFAOYSA-N 2 2 291.359 -0.104 20 0 CBADLP CC[N@H+](CCO)CC[NH2+]C[C@@H]1[C@H](C(=O)OC)C1(F)F ZINC000894478229 584658746 /nfs/dbraw/zinc/65/87/46/584658746.db2.gz VMALJDKHJFOPEB-NXEZZACHSA-N 2 2 280.315 -0.056 20 0 CBADLP CC[N@@H+](CCO)CC[NH2+]C[C@@H]1[C@H](C(=O)OC)C1(F)F ZINC000894478229 584658747 /nfs/dbraw/zinc/65/87/47/584658747.db2.gz VMALJDKHJFOPEB-NXEZZACHSA-N 2 2 280.315 -0.056 20 0 CBADLP CN(C)c1cc(NCC[N@H+](C)CCOCCO)nc[nH+]1 ZINC000895155867 584672184 /nfs/dbraw/zinc/67/21/84/584672184.db2.gz PVGJWFXSQXKBAV-UHFFFAOYSA-N 2 2 283.376 -0.105 20 0 CBADLP CN(C)c1cc(NCC[N@@H+](C)CCOCCO)nc[nH+]1 ZINC000895155867 584672185 /nfs/dbraw/zinc/67/21/85/584672185.db2.gz PVGJWFXSQXKBAV-UHFFFAOYSA-N 2 2 283.376 -0.105 20 0 CBADLP CN(C)c1[nH+]cc(C[N@@H+]2C[C@H](O)C[C@@]2(C)CO)n1C ZINC000895326438 584676158 /nfs/dbraw/zinc/67/61/58/584676158.db2.gz XNULRDVCPMGHAM-YPMHNXCESA-N 2 2 268.361 -0.196 20 0 CBADLP CN(C)c1[nH+]cc(C[N@H+]2C[C@H](O)C[C@@]2(C)CO)n1C ZINC000895326438 584676159 /nfs/dbraw/zinc/67/61/59/584676159.db2.gz XNULRDVCPMGHAM-YPMHNXCESA-N 2 2 268.361 -0.196 20 0 CBADLP O=C(NCC[NH+]1CCOCC1)C1C[NH+](C2CCOCC2)C1 ZINC000895481857 584680008 /nfs/dbraw/zinc/68/00/08/584680008.db2.gz QKLAVFQVNGFTGA-UHFFFAOYSA-N 2 2 297.399 -0.454 20 0 CBADLP CC(C)(C)[N@@H+]1CC[C@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000895586321 584682043 /nfs/dbraw/zinc/68/20/43/584682043.db2.gz SEJKLULRTNFRGY-LBPRGKRZSA-N 2 2 269.389 -0.004 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)C2C[NH+]([C@H]3CCOC3)C2)CCO1 ZINC000896042268 584691495 /nfs/dbraw/zinc/69/14/95/584691495.db2.gz GBLSRTQBFMBOJY-OCCSQVGLSA-N 2 2 297.399 -0.456 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)C2C[NH+]([C@H]3CCOC3)C2)CCO1 ZINC000896042268 584691497 /nfs/dbraw/zinc/69/14/97/584691497.db2.gz GBLSRTQBFMBOJY-OCCSQVGLSA-N 2 2 297.399 -0.456 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+]1CCNC(=O)C1 ZINC000897175814 584709664 /nfs/dbraw/zinc/70/96/64/584709664.db2.gz XPFJGPKFMHOMKH-NSHDSACASA-N 2 2 268.361 -0.981 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)NCCC[NH+]1CCNC(=O)C1 ZINC000897175814 584709665 /nfs/dbraw/zinc/70/96/65/584709665.db2.gz XPFJGPKFMHOMKH-NSHDSACASA-N 2 2 268.361 -0.981 20 0 CBADLP C[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000897175814 584709666 /nfs/dbraw/zinc/70/96/66/584709666.db2.gz XPFJGPKFMHOMKH-NSHDSACASA-N 2 2 268.361 -0.981 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH+]1CCNC(=O)C1 ZINC000897175813 584709681 /nfs/dbraw/zinc/70/96/81/584709681.db2.gz XPFJGPKFMHOMKH-LLVKDONJSA-N 2 2 268.361 -0.981 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)NCCC[NH+]1CCNC(=O)C1 ZINC000897175813 584709682 /nfs/dbraw/zinc/70/96/82/584709682.db2.gz XPFJGPKFMHOMKH-LLVKDONJSA-N 2 2 268.361 -0.981 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000897175813 584709683 /nfs/dbraw/zinc/70/96/83/584709683.db2.gz XPFJGPKFMHOMKH-LLVKDONJSA-N 2 2 268.361 -0.981 20 0 CBADLP CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000897490180 584717883 /nfs/dbraw/zinc/71/78/83/584717883.db2.gz WECYTOBXMNWARH-RYUDHWBXSA-N 2 2 293.371 -0.402 20 0 CBADLP CC[N@H+]1CC[C@H]1CNC(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000897490180 584717885 /nfs/dbraw/zinc/71/78/85/584717885.db2.gz WECYTOBXMNWARH-RYUDHWBXSA-N 2 2 293.371 -0.402 20 0 CBADLP C[NH+](C)CCONC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000897877817 584726491 /nfs/dbraw/zinc/72/64/91/584726491.db2.gz VDXKWHGROBVJEW-UHFFFAOYSA-N 2 2 271.361 -0.293 20 0 CBADLP CN(C)c1[nH+]cc(C[NH2+]CCCc2nnnn2C)n1C ZINC000898038028 584729812 /nfs/dbraw/zinc/72/98/12/584729812.db2.gz DACWKMUFPMUHDN-UHFFFAOYSA-N 2 2 278.364 -0.268 20 0 CBADLP C[C@@H](C(=O)N1CC([NH+]2CCCC2)C1)N1CC[NH+](C)CC1 ZINC000898612579 584739252 /nfs/dbraw/zinc/73/92/52/584739252.db2.gz JUGXSOSSEHMMKO-ZDUSSCGKSA-N 2 2 280.416 -0.071 20 0 CBADLP CC[N@H+](CCO)CCNC(=O)NCc1cn(C)c[nH+]1 ZINC000898620936 584739732 /nfs/dbraw/zinc/73/97/32/584739732.db2.gz WSBSMERHPQLEII-UHFFFAOYSA-N 2 2 269.349 -0.467 20 0 CBADLP CC[N@@H+](CCO)CCNC(=O)NCc1cn(C)c[nH+]1 ZINC000898620936 584739733 /nfs/dbraw/zinc/73/97/33/584739733.db2.gz WSBSMERHPQLEII-UHFFFAOYSA-N 2 2 269.349 -0.467 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N[C@H](CO)c1c[nH+]cn1C ZINC000898884092 584744194 /nfs/dbraw/zinc/74/41/94/584744194.db2.gz OKPYPWVDFXKFCS-SNVBAGLBSA-N 2 2 254.334 -0.090 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N[C@H](CO)c1c[nH+]cn1C ZINC000898884092 584744196 /nfs/dbraw/zinc/74/41/96/584744196.db2.gz OKPYPWVDFXKFCS-SNVBAGLBSA-N 2 2 254.334 -0.090 20 0 CBADLP [NH3+]CC[C@H]1CCN(C(=O)NCC[NH+]2CCOCC2)C1 ZINC000899241860 584754256 /nfs/dbraw/zinc/75/42/56/584754256.db2.gz MBKBLVZODGNDKC-LBPRGKRZSA-N 2 2 270.377 -0.301 20 0 CBADLP C[N@H+](CCO)CCNC(=O)c1cccc2[nH+]ccn21 ZINC000899736347 584777131 /nfs/dbraw/zinc/77/71/31/584777131.db2.gz BFMXHMMNFSEERJ-UHFFFAOYSA-N 2 2 262.313 -0.012 20 0 CBADLP C[N@@H+](CCO)CCNC(=O)c1cccc2[nH+]ccn21 ZINC000899736347 584777133 /nfs/dbraw/zinc/77/71/33/584777133.db2.gz BFMXHMMNFSEERJ-UHFFFAOYSA-N 2 2 262.313 -0.012 20 0 CBADLP OCC[NH+](CCO)Cc1cn(C[C@H]2CCCC[NH2+]C2)nn1 ZINC000899740571 584779631 /nfs/dbraw/zinc/77/96/31/584779631.db2.gz IGZHRENCDINMSK-ZDUSSCGKSA-N 2 2 297.403 -0.546 20 0 CBADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[N@H+](C)CCO ZINC000899741419 584779840 /nfs/dbraw/zinc/77/98/40/584779840.db2.gz XCMBWQZGVJETTB-JTQLQIEISA-N 2 2 254.334 -0.371 20 0 CBADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[N@@H+](C)CCO ZINC000899741419 584779841 /nfs/dbraw/zinc/77/98/41/584779841.db2.gz XCMBWQZGVJETTB-JTQLQIEISA-N 2 2 254.334 -0.371 20 0 CBADLP C[NH+](C)CCn1nccc1C(=O)NCC[NH+]1CCOCC1 ZINC000899928033 584785221 /nfs/dbraw/zinc/78/52/21/584785221.db2.gz AJZWSJZUQMTQRN-UHFFFAOYSA-N 2 2 295.387 -0.493 20 0 CBADLP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000899957732 584786663 /nfs/dbraw/zinc/78/66/63/584786663.db2.gz BEZALSAZPVGLPV-IUODEOHRSA-N 2 2 299.415 -0.332 20 0 CBADLP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000899957732 584786665 /nfs/dbraw/zinc/78/66/65/584786665.db2.gz BEZALSAZPVGLPV-IUODEOHRSA-N 2 2 299.415 -0.332 20 0 CBADLP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCCCN1CC[NH+](C)CC1 ZINC000899991183 584788002 /nfs/dbraw/zinc/78/80/02/584788002.db2.gz CBVSRGVOHNYHAG-HIFRSBDPSA-N 2 2 298.431 -0.805 20 0 CBADLP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCCCN1CC[NH+](C)CC1 ZINC000899991183 584788003 /nfs/dbraw/zinc/78/80/03/584788003.db2.gz CBVSRGVOHNYHAG-HIFRSBDPSA-N 2 2 298.431 -0.805 20 0 CBADLP CN1CC[NH+](CCCNC(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)CC1 ZINC000899991183 584788004 /nfs/dbraw/zinc/78/80/04/584788004.db2.gz CBVSRGVOHNYHAG-HIFRSBDPSA-N 2 2 298.431 -0.805 20 0 CBADLP CN1CC[NH+](CCCNC(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)CC1 ZINC000899991183 584788005 /nfs/dbraw/zinc/78/80/05/584788005.db2.gz CBVSRGVOHNYHAG-HIFRSBDPSA-N 2 2 298.431 -0.805 20 0 CBADLP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000900404440 584803412 /nfs/dbraw/zinc/80/34/12/584803412.db2.gz GOUTXLTYDPCHOP-JSGCOSHPSA-N 2 2 267.373 -0.252 20 0 CBADLP C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000900404440 584803414 /nfs/dbraw/zinc/80/34/14/584803414.db2.gz GOUTXLTYDPCHOP-JSGCOSHPSA-N 2 2 267.373 -0.252 20 0 CBADLP C[C@H](NC(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C)[C@H](C)[NH+]1CCOCC1 ZINC000900591054 584814386 /nfs/dbraw/zinc/81/43/86/584814386.db2.gz GINSANZQKBGYJZ-XPCVCDNBSA-N 2 2 299.415 -0.333 20 0 CBADLP C[C@H](NC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C)[C@H](C)[NH+]1CCOCC1 ZINC000900591054 584814387 /nfs/dbraw/zinc/81/43/87/584814387.db2.gz GINSANZQKBGYJZ-XPCVCDNBSA-N 2 2 299.415 -0.333 20 0 CBADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)C12CC[NH+](CC1)C2 ZINC000900614225 584816325 /nfs/dbraw/zinc/81/63/25/584816325.db2.gz OUMIWRQRAFLURV-CYBMUJFWSA-N 2 2 280.416 -0.166 20 0 CBADLP CN(Cc1[nH]cc[nH+]1)C(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000900626363 584817153 /nfs/dbraw/zinc/81/71/53/584817153.db2.gz QESDEXLWCKUNMK-JOYOIKCWSA-N 2 2 252.318 -0.177 20 0 CBADLP CN(Cc1[nH]cc[nH+]1)C(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC000900626363 584817155 /nfs/dbraw/zinc/81/71/55/584817155.db2.gz QESDEXLWCKUNMK-JOYOIKCWSA-N 2 2 252.318 -0.177 20 0 CBADLP C[N@@H+]1CCC[C@](O)(CC(=O)NCCc2[nH]cc[nH+]2)C1 ZINC000900648219 584818716 /nfs/dbraw/zinc/81/87/16/584818716.db2.gz XMZNGHVRTFQKRY-ZDUSSCGKSA-N 2 2 266.345 -0.085 20 0 CBADLP C[N@H+]1CCC[C@](O)(CC(=O)NCCc2[nH]cc[nH+]2)C1 ZINC000900648219 584818718 /nfs/dbraw/zinc/81/87/18/584818718.db2.gz XMZNGHVRTFQKRY-ZDUSSCGKSA-N 2 2 266.345 -0.085 20 0 CBADLP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NCC[NH+]1CCSCC1 ZINC000900673389 584820526 /nfs/dbraw/zinc/82/05/26/584820526.db2.gz QMRHDQIHEMIKJI-DGCLKSJQSA-N 2 2 287.429 -0.394 20 0 CBADLP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NCC[NH+]1CCSCC1 ZINC000900673389 584820528 /nfs/dbraw/zinc/82/05/28/584820528.db2.gz QMRHDQIHEMIKJI-DGCLKSJQSA-N 2 2 287.429 -0.394 20 0 CBADLP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCC[NH+]1CCSCC1 ZINC000900673392 584820662 /nfs/dbraw/zinc/82/06/62/584820662.db2.gz QMRHDQIHEMIKJI-YPMHNXCESA-N 2 2 287.429 -0.394 20 0 CBADLP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCC[NH+]1CCSCC1 ZINC000900673392 584820664 /nfs/dbraw/zinc/82/06/64/584820664.db2.gz QMRHDQIHEMIKJI-YPMHNXCESA-N 2 2 287.429 -0.394 20 0 CBADLP C[NH+]1CCN(C(=O)CCNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC000900685333 584821339 /nfs/dbraw/zinc/82/13/39/584821339.db2.gz RNDFNOVHNPLSDS-UHFFFAOYSA-N 2 2 279.344 -0.768 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)CC1 ZINC000900684362 584821354 /nfs/dbraw/zinc/82/13/54/584821354.db2.gz NYXXJPMIEMXDFT-JSGCOSHPSA-N 2 2 285.388 -0.768 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)CC1 ZINC000900684362 584821356 /nfs/dbraw/zinc/82/13/56/584821356.db2.gz NYXXJPMIEMXDFT-JSGCOSHPSA-N 2 2 285.388 -0.768 20 0 CBADLP C[C@H](CNC(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C)C[NH+]1CCOCC1 ZINC000900783851 584826721 /nfs/dbraw/zinc/82/67/21/584826721.db2.gz OZVNTPIACUWTCM-NFAWXSAZSA-N 2 2 299.415 -0.474 20 0 CBADLP C[C@H](CNC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C)C[NH+]1CCOCC1 ZINC000900783851 584826722 /nfs/dbraw/zinc/82/67/22/584826722.db2.gz OZVNTPIACUWTCM-NFAWXSAZSA-N 2 2 299.415 -0.474 20 0 CBADLP C[NH+](C)C[C@@](C)(O)CNC(=O)CNc1cccc[nH+]1 ZINC000901185040 584853944 /nfs/dbraw/zinc/85/39/44/584853944.db2.gz BGLCLRGKWSBQSE-ZDUSSCGKSA-N 2 2 266.345 -0.078 20 0 CBADLP C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)[C@]1(C)C[C@@H](O)C[NH+]1C ZINC000901288619 584858782 /nfs/dbraw/zinc/85/87/82/584858782.db2.gz WOLZUVLNEQUQJS-BYNQJWBRSA-N 2 2 269.389 -0.008 20 0 CBADLP C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)[C@]1(C)C[C@@H](O)C[NH+]1C ZINC000901288619 584858783 /nfs/dbraw/zinc/85/87/83/584858783.db2.gz WOLZUVLNEQUQJS-BYNQJWBRSA-N 2 2 269.389 -0.008 20 0 CBADLP C[C@@H]1C[NH+](C)[C@H](C)CN1C(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000901288619 584858784 /nfs/dbraw/zinc/85/87/84/584858784.db2.gz WOLZUVLNEQUQJS-BYNQJWBRSA-N 2 2 269.389 -0.008 20 0 CBADLP C[C@@H]1C[NH+](C)[C@H](C)CN1C(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC000901288619 584858785 /nfs/dbraw/zinc/85/87/85/584858785.db2.gz WOLZUVLNEQUQJS-BYNQJWBRSA-N 2 2 269.389 -0.008 20 0 CBADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902468286 584877337 /nfs/dbraw/zinc/87/73/37/584877337.db2.gz UCSLDGOVWRPUIW-YBXAARCKSA-N 2 2 253.346 -0.238 20 0 CBADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902468284 584877386 /nfs/dbraw/zinc/87/73/86/584877386.db2.gz UCSLDGOVWRPUIW-IYKVGLELSA-N 2 2 253.346 -0.238 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CCO[C@@]23CCOC3)CC1 ZINC000903083903 584889095 /nfs/dbraw/zinc/88/90/95/584889095.db2.gz QDGFZIUQJKXIBR-GXTWGEPZSA-N 2 2 283.372 -0.702 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@]1(CO)COCCN1C ZINC000903280372 584889769 /nfs/dbraw/zinc/88/97/69/584889769.db2.gz NABSRYOCCVIGTQ-AGIUHOORSA-N 2 2 257.378 -0.781 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@]1(CO)COCCN1C ZINC000903280372 584889771 /nfs/dbraw/zinc/88/97/71/584889771.db2.gz NABSRYOCCVIGTQ-AGIUHOORSA-N 2 2 257.378 -0.781 20 0 CBADLP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCN(CC(=O)NC2CC2)CC1 ZINC000903441523 584890485 /nfs/dbraw/zinc/89/04/85/584890485.db2.gz WFUHAKIRYKJRBS-OLZOCXBDSA-N 2 2 280.416 -0.262 20 0 CBADLP C[C@@H]1C[NH2+]C[C@H]1CN1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000903441523 584890486 /nfs/dbraw/zinc/89/04/86/584890486.db2.gz WFUHAKIRYKJRBS-OLZOCXBDSA-N 2 2 280.416 -0.262 20 0 CBADLP CON1CC[C@H]([N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1=O ZINC000903449599 584890552 /nfs/dbraw/zinc/89/05/52/584890552.db2.gz VLLNZHPMGGRCGE-RYUDHWBXSA-N 2 2 296.371 -0.955 20 0 CBADLP CON1CC[C@H]([N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1=O ZINC000903449599 584890553 /nfs/dbraw/zinc/89/05/53/584890553.db2.gz VLLNZHPMGGRCGE-RYUDHWBXSA-N 2 2 296.371 -0.955 20 0 CBADLP Cc1cn2c(nc(C[N@H+](C)C[C@H](O)C[NH3+])cc2=O)s1 ZINC000903454122 584890587 /nfs/dbraw/zinc/89/05/87/584890587.db2.gz VJOGSKJXERWMHG-SNVBAGLBSA-N 2 2 282.369 -0.184 20 0 CBADLP Cc1cn2c(nc(C[N@@H+](C)C[C@H](O)C[NH3+])cc2=O)s1 ZINC000903454122 584890588 /nfs/dbraw/zinc/89/05/88/584890588.db2.gz VJOGSKJXERWMHG-SNVBAGLBSA-N 2 2 282.369 -0.184 20 0 CBADLP [NH3+]CC[N@H+](C[C@H](O)CO)C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000903463743 584890812 /nfs/dbraw/zinc/89/08/12/584890812.db2.gz KYUCFMMGSNZULP-MMWGEVLESA-N 2 2 264.316 -0.108 20 0 CBADLP [NH3+]CC[N@@H+](C[C@H](O)CO)C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000903463743 584890814 /nfs/dbraw/zinc/89/08/14/584890814.db2.gz KYUCFMMGSNZULP-MMWGEVLESA-N 2 2 264.316 -0.108 20 0 CBADLP CCO[C@@H]1C[N@@H+]([C@H]2CCN(OC)C2=O)C[C@H]1C[NH3+] ZINC000903461770 584890821 /nfs/dbraw/zinc/89/08/21/584890821.db2.gz XXPFIRVBIHYLBL-OUAUKWLOSA-N 2 2 257.334 -0.556 20 0 CBADLP CCO[C@@H]1C[N@H+]([C@H]2CCN(OC)C2=O)C[C@H]1C[NH3+] ZINC000903461770 584890823 /nfs/dbraw/zinc/89/08/23/584890823.db2.gz XXPFIRVBIHYLBL-OUAUKWLOSA-N 2 2 257.334 -0.556 20 0 CBADLP Cn1c(C[NH2+][C@@H]2CC[NH2+]C23CCC3)cc(=O)n(C)c1=O ZINC000903468616 584890974 /nfs/dbraw/zinc/89/09/74/584890974.db2.gz MBQCESCPIRMHBU-LLVKDONJSA-N 2 2 278.356 -0.542 20 0 CBADLP CCNC(=O)NC(=O)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903465734 584891023 /nfs/dbraw/zinc/89/10/23/584891023.db2.gz LROOBOXVYSBQLN-VIFPVBQESA-N 2 2 254.334 -0.294 20 0 CBADLP CNS(=O)(=O)C[C@H]1CCC[N@H+](C[C@H]2CCC[NH2+]2)C1 ZINC000903474669 584891131 /nfs/dbraw/zinc/89/11/31/584891131.db2.gz OYNCNHHNTJXUBB-NWDGAFQWSA-N 2 2 275.418 0.000 20 0 CBADLP CNS(=O)(=O)C[C@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]2)C1 ZINC000903474669 584891132 /nfs/dbraw/zinc/89/11/32/584891132.db2.gz OYNCNHHNTJXUBB-NWDGAFQWSA-N 2 2 275.418 0.000 20 0 CBADLP CC1(C)C[N@H+](CCC(=O)N2CCOCC2)C[C@H]1[NH3+] ZINC000903552531 584893003 /nfs/dbraw/zinc/89/30/03/584893003.db2.gz HDBVRWPHDUVFIV-LLVKDONJSA-N 2 2 255.362 -0.096 20 0 CBADLP CC1(C)C[N@@H+](CCC(=O)N2CCOCC2)C[C@H]1[NH3+] ZINC000903552531 584893004 /nfs/dbraw/zinc/89/30/04/584893004.db2.gz HDBVRWPHDUVFIV-LLVKDONJSA-N 2 2 255.362 -0.096 20 0 CBADLP CN(C1CC[NH2+]CC1)S(=O)(=O)NCc1cn(C)c[nH+]1 ZINC000903559115 584893209 /nfs/dbraw/zinc/89/32/09/584893209.db2.gz CAWCPZRSPBZTDQ-UHFFFAOYSA-N 2 2 287.389 -0.562 20 0 CBADLP CC[C@H](CS(=O)(=O)NCC[NH+]1CCC([NH3+])CC1)OC ZINC000903565782 584893456 /nfs/dbraw/zinc/89/34/56/584893456.db2.gz QFJSHZRPTVAWSV-GFCCVEGCSA-N 2 2 293.433 -0.246 20 0 CBADLP COC(C)(C)CS(=O)(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000903565370 584893458 /nfs/dbraw/zinc/89/34/58/584893458.db2.gz IIUSRYUWVPTGDA-UHFFFAOYSA-N 2 2 293.433 -0.246 20 0 CBADLP CC1(C)CN(C(=O)C(=O)N2CC[NH+](C3CC3)CC2)C[C@H]1[NH3+] ZINC000903719169 584895672 /nfs/dbraw/zinc/89/56/72/584895672.db2.gz IIKFUPLXQKKLMP-GFCCVEGCSA-N 2 2 294.399 -0.511 20 0 CBADLP CC(=O)NC[C@@H]1C[N@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CCO1 ZINC000903729211 584896206 /nfs/dbraw/zinc/89/62/06/584896206.db2.gz KUJCFOWMLHOABC-RRFJBIMHSA-N 2 2 297.399 -0.408 20 0 CBADLP CC(=O)NC[C@@H]1C[N@@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CCO1 ZINC000903729211 584896207 /nfs/dbraw/zinc/89/62/07/584896207.db2.gz KUJCFOWMLHOABC-RRFJBIMHSA-N 2 2 297.399 -0.408 20 0 CBADLP CC[C@@H]1C(=O)NCC[N@H+]1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903730789 584896230 /nfs/dbraw/zinc/89/62/30/584896230.db2.gz ZHMAOPMYUCKZHP-SCRDCRAPSA-N 2 2 267.373 -0.035 20 0 CBADLP CC[C@@H]1C(=O)NCC[N@@H+]1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903730789 584896231 /nfs/dbraw/zinc/89/62/31/584896231.db2.gz ZHMAOPMYUCKZHP-SCRDCRAPSA-N 2 2 267.373 -0.035 20 0 CBADLP CN1CC[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1=O ZINC000903730700 584896238 /nfs/dbraw/zinc/89/62/38/584896238.db2.gz YQAKLKCZKMQIKR-GFCCVEGCSA-N 2 2 267.373 -0.081 20 0 CBADLP CN1CC[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1=O ZINC000903730700 584896239 /nfs/dbraw/zinc/89/62/39/584896239.db2.gz YQAKLKCZKMQIKR-GFCCVEGCSA-N 2 2 267.373 -0.081 20 0 CBADLP [NH3+]C[C@H]1C[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CCO1 ZINC000903744518 584896729 /nfs/dbraw/zinc/89/67/29/584896729.db2.gz UIPJIEZBYSCDEI-OLZOCXBDSA-N 3 2 269.389 -0.195 20 0 CBADLP [NH3+]C[C@H]1C[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CCO1 ZINC000903744518 584896731 /nfs/dbraw/zinc/89/67/31/584896731.db2.gz UIPJIEZBYSCDEI-OLZOCXBDSA-N 3 2 269.389 -0.195 20 0 CBADLP COCC[N@@H+](CC(=O)OC)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903751600 584897380 /nfs/dbraw/zinc/89/73/80/584897380.db2.gz HASWUOZHMGVCOC-TZMCWYRMSA-N 2 2 286.372 -0.124 20 0 CBADLP COCC[N@H+](CC(=O)OC)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903751600 584897381 /nfs/dbraw/zinc/89/73/81/584897381.db2.gz HASWUOZHMGVCOC-TZMCWYRMSA-N 2 2 286.372 -0.124 20 0 CBADLP O=S1(=O)NC[C@@H]2C[N@H+](C[C@H]3CCCC[NH2+]C3)CCN21 ZINC000903789003 584899874 /nfs/dbraw/zinc/89/98/74/584899874.db2.gz SRZZUMUXZNREBU-NWDGAFQWSA-N 2 2 288.417 -0.790 20 0 CBADLP O=S1(=O)NC[C@@H]2C[N@@H+](C[C@H]3CCCC[NH2+]C3)CCN21 ZINC000903789003 584899876 /nfs/dbraw/zinc/89/98/76/584899876.db2.gz SRZZUMUXZNREBU-NWDGAFQWSA-N 2 2 288.417 -0.790 20 0 CBADLP CC(=O)N1CCN(C(=O)C[N@@H+]2CC[C@H]3CC[C@]32C[NH3+])CC1 ZINC000903852454 584902040 /nfs/dbraw/zinc/90/20/40/584902040.db2.gz BBXVJIZXUFWWIC-HIFRSBDPSA-N 2 2 294.399 -0.510 20 0 CBADLP CC(=O)N1CCN(C(=O)C[N@H+]2CC[C@H]3CC[C@]32C[NH3+])CC1 ZINC000903852454 584902041 /nfs/dbraw/zinc/90/20/41/584902041.db2.gz BBXVJIZXUFWWIC-HIFRSBDPSA-N 2 2 294.399 -0.510 20 0 CBADLP [NH3+]C[C@@]12CC[C@@H]1CC[N@@H+]2CCN1CCCS1(=O)=O ZINC000903864750 584902574 /nfs/dbraw/zinc/90/25/74/584902574.db2.gz WNRVTNPFOBOZDX-NEPJUHHUSA-N 2 2 273.402 -0.165 20 0 CBADLP [NH3+]C[C@@]12CC[C@@H]1CC[N@H+]2CCN1CCCS1(=O)=O ZINC000903864750 584902576 /nfs/dbraw/zinc/90/25/76/584902576.db2.gz WNRVTNPFOBOZDX-NEPJUHHUSA-N 2 2 273.402 -0.165 20 0 CBADLP COC(=O)[C@@](C)(Cn1cccn1)[NH2+]CCN1CC[NH2+]CC1 ZINC000903863126 584902579 /nfs/dbraw/zinc/90/25/79/584902579.db2.gz JDEXWZPTANQGIA-CQSZACIVSA-N 2 2 295.387 -0.690 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@@]23CC[NH2+]C3)CC1 ZINC000903869617 584902807 /nfs/dbraw/zinc/90/28/07/584902807.db2.gz IXCUVOFSTABFSV-HNNXBMFYSA-N 3 2 280.416 -0.022 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@@]23CC[NH2+]C3)CC1 ZINC000903869617 584902809 /nfs/dbraw/zinc/90/28/09/584902809.db2.gz IXCUVOFSTABFSV-HNNXBMFYSA-N 3 2 280.416 -0.022 20 0 CBADLP O=C(CC[N@@H+]1CCC[C@@]12CC[NH2+]C2)N1CC[NH2+]CC1 ZINC000903868486 584902859 /nfs/dbraw/zinc/90/28/59/584902859.db2.gz ZGKLFLJFVUHERZ-AWEZNQCLSA-N 3 2 266.389 -0.364 20 0 CBADLP O=C(CC[N@H+]1CCC[C@@]12CC[NH2+]C2)N1CC[NH2+]CC1 ZINC000903868486 584902860 /nfs/dbraw/zinc/90/28/60/584902860.db2.gz ZGKLFLJFVUHERZ-AWEZNQCLSA-N 3 2 266.389 -0.364 20 0 CBADLP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000903873833 584902888 /nfs/dbraw/zinc/90/28/88/584902888.db2.gz MNBKNYUILPASIY-ZJUUUORDSA-N 3 2 278.347 -0.244 20 0 CBADLP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000903873833 584902890 /nfs/dbraw/zinc/90/28/90/584902890.db2.gz MNBKNYUILPASIY-ZJUUUORDSA-N 3 2 278.347 -0.244 20 0 CBADLP COCC[N@H+](CCO)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903892634 584904020 /nfs/dbraw/zinc/90/40/20/584904020.db2.gz VLLBQRMHSKMCGU-LBPRGKRZSA-N 2 2 283.376 -0.357 20 0 CBADLP COCC[N@@H+](CCO)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903892634 584904022 /nfs/dbraw/zinc/90/40/22/584904022.db2.gz VLLBQRMHSKMCGU-LBPRGKRZSA-N 2 2 283.376 -0.357 20 0 CBADLP NS(=O)(=O)C[C@H]1CCC[N@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000903892618 584904119 /nfs/dbraw/zinc/90/41/19/584904119.db2.gz KMPGYULNRUKDTC-DTWKUNHWSA-N 2 2 285.360 -0.031 20 0 CBADLP NS(=O)(=O)C[C@H]1CCC[N@@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000903892618 584904120 /nfs/dbraw/zinc/90/41/20/584904120.db2.gz KMPGYULNRUKDTC-DTWKUNHWSA-N 2 2 285.360 -0.031 20 0 CBADLP Cc1c(C[C@H](C[NH3+])C[N@H+]2C[C@@H](CO)OC[C@H]2C)cnn1C ZINC000903898378 584904149 /nfs/dbraw/zinc/90/41/49/584904149.db2.gz KMHWEXVWWPXAJZ-KYOSRNDESA-N 2 2 296.415 -0.072 20 0 CBADLP Cc1c(C[C@H](C[NH3+])C[N@@H+]2C[C@@H](CO)OC[C@H]2C)cnn1C ZINC000903898378 584904150 /nfs/dbraw/zinc/90/41/50/584904150.db2.gz KMHWEXVWWPXAJZ-KYOSRNDESA-N 2 2 296.415 -0.072 20 0 CBADLP CN(C[C@H]([NH3+])CC(F)F)C[C@H](O)C[NH+]1CCOCC1 ZINC000903895408 584904209 /nfs/dbraw/zinc/90/42/09/584904209.db2.gz NIFQOGOCQJSSAG-MNOVXSKESA-N 2 2 281.347 -0.406 20 0 CBADLP C[N@H+](C[C@H]([NH3+])CC(F)F)C[C@H](O)CN1CCOCC1 ZINC000903895408 584904210 /nfs/dbraw/zinc/90/42/10/584904210.db2.gz NIFQOGOCQJSSAG-MNOVXSKESA-N 2 2 281.347 -0.406 20 0 CBADLP C[N@@H+](C[C@H]([NH3+])CC(F)F)C[C@H](O)CN1CCOCC1 ZINC000903895408 584904211 /nfs/dbraw/zinc/90/42/11/584904211.db2.gz NIFQOGOCQJSSAG-MNOVXSKESA-N 2 2 281.347 -0.406 20 0 CBADLP Cc1c(C[C@H](C[NH3+])C[N@H+]2C[C@H](CO)OC[C@@H]2C)cnn1C ZINC000903898380 584904237 /nfs/dbraw/zinc/90/42/37/584904237.db2.gz KMHWEXVWWPXAJZ-NJZAAPMLSA-N 2 2 296.415 -0.072 20 0 CBADLP Cc1c(C[C@H](C[NH3+])C[N@@H+]2C[C@H](CO)OC[C@@H]2C)cnn1C ZINC000903898380 584904238 /nfs/dbraw/zinc/90/42/38/584904238.db2.gz KMHWEXVWWPXAJZ-NJZAAPMLSA-N 2 2 296.415 -0.072 20 0 CBADLP CC[N@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)[C@@H]1CCNC1=O ZINC000903915905 584904597 /nfs/dbraw/zinc/90/45/97/584904597.db2.gz DSVZJDYGMCTEOR-DGCLKSJQSA-N 2 2 292.387 -0.087 20 0 CBADLP CC[N@@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)[C@@H]1CCNC1=O ZINC000903915905 584904598 /nfs/dbraw/zinc/90/45/98/584904598.db2.gz DSVZJDYGMCTEOR-DGCLKSJQSA-N 2 2 292.387 -0.087 20 0 CBADLP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CCCO[C@@H](C[NH3+])C2)cnn1C ZINC000903930274 584904732 /nfs/dbraw/zinc/90/47/32/584904732.db2.gz WDBKDTVPYBYDFR-ZFWWWQNUSA-N 3 2 295.431 -0.104 20 0 CBADLP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CCCO[C@@H](C[NH3+])C2)cnn1C ZINC000903930274 584904734 /nfs/dbraw/zinc/90/47/34/584904734.db2.gz WDBKDTVPYBYDFR-ZFWWWQNUSA-N 3 2 295.431 -0.104 20 0 CBADLP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCCO[C@@H](C[NH3+])C2)cnn1C ZINC000903930272 584904782 /nfs/dbraw/zinc/90/47/82/584904782.db2.gz WDBKDTVPYBYDFR-HIFRSBDPSA-N 3 2 295.431 -0.104 20 0 CBADLP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCCO[C@@H](C[NH3+])C2)cnn1C ZINC000903930272 584904784 /nfs/dbraw/zinc/90/47/84/584904784.db2.gz WDBKDTVPYBYDFR-HIFRSBDPSA-N 3 2 295.431 -0.104 20 0 CBADLP NC(=O)Cn1cc(C[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)nn1 ZINC000903959808 584905113 /nfs/dbraw/zinc/90/51/13/584905113.db2.gz PENNQISMAYSSQE-CQSZACIVSA-N 2 2 292.387 -0.271 20 0 CBADLP NC(=O)Cn1cc(C[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)nn1 ZINC000903959808 584905114 /nfs/dbraw/zinc/90/51/14/584905114.db2.gz PENNQISMAYSSQE-CQSZACIVSA-N 2 2 292.387 -0.271 20 0 CBADLP O=S1(=O)CCNC[C@H]1CC[NH2+]CC12CC(C1)C[NH2+]2 ZINC000903970165 584905219 /nfs/dbraw/zinc/90/52/19/584905219.db2.gz RLEFAHVKELCQQW-MOENNCHZSA-N 2 2 273.402 -0.895 20 0 CBADLP O=S1(=O)CCNC[C@@H]1CC[NH2+][C@H]1CCC[NH2+]C1 ZINC000903969622 584905307 /nfs/dbraw/zinc/90/53/07/584905307.db2.gz HUBGXENPOBKEAV-QWRGUYRKSA-N 2 2 261.391 -0.895 20 0 CBADLP COc1cc[nH+]cc1CC(=O)N1CC[C@@H]([NH2+]CCO)C1 ZINC000969069300 617327087 /nfs/dbraw/zinc/32/70/87/617327087.db2.gz SMUPHAGBDNBAGJ-GFCCVEGCSA-N 2 2 279.340 -0.185 20 0 CBADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH+](C)CC(N)=O)C1 ZINC000971525595 614340473 /nfs/dbraw/zinc/34/04/73/614340473.db2.gz PDLUSAUWXBHYAO-CHWSQXEVSA-N 2 2 296.415 -0.123 20 0 CBADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH+](C)CC(N)=O)C1 ZINC000971525595 614340475 /nfs/dbraw/zinc/34/04/75/614340475.db2.gz PDLUSAUWXBHYAO-CHWSQXEVSA-N 2 2 296.415 -0.123 20 0 CBADLP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)CC(N)=O)C1 ZINC000971525595 614340477 /nfs/dbraw/zinc/34/04/77/614340477.db2.gz PDLUSAUWXBHYAO-CHWSQXEVSA-N 2 2 296.415 -0.123 20 0 CBADLP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)CC(N)=O)C1 ZINC000971525595 614340480 /nfs/dbraw/zinc/34/04/80/614340480.db2.gz PDLUSAUWXBHYAO-CHWSQXEVSA-N 2 2 296.415 -0.123 20 0 CBADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](CCCO)CC2)C1 ZINC000949840428 614365806 /nfs/dbraw/zinc/36/58/06/614365806.db2.gz CSWFXWORIPQLOL-AWEZNQCLSA-N 2 2 299.415 -0.378 20 0 CBADLP CC(C)[N@H+]1CCO[C@H](C(=O)N2CC[NH+](CCCO)CC2)C1 ZINC000949840428 614365809 /nfs/dbraw/zinc/36/58/09/614365809.db2.gz CSWFXWORIPQLOL-AWEZNQCLSA-N 2 2 299.415 -0.378 20 0 CBADLP CC1CC[NH+](CC(=O)N2CC[C@H]([N@H+](C)CC(N)=O)C2)CC1 ZINC000972609550 614432201 /nfs/dbraw/zinc/43/22/01/614432201.db2.gz AZPPTSNNZHIJPQ-ZDUSSCGKSA-N 2 2 296.415 -0.264 20 0 CBADLP CC1CC[NH+](CC(=O)N2CC[C@H]([N@@H+](C)CC(N)=O)C2)CC1 ZINC000972609550 614432205 /nfs/dbraw/zinc/43/22/05/614432205.db2.gz AZPPTSNNZHIJPQ-ZDUSSCGKSA-N 2 2 296.415 -0.264 20 0 CBADLP CC1(C)C[N@H+](CC(N)=O)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000977592400 614616554 /nfs/dbraw/zinc/61/65/54/614616554.db2.gz CGVRQNMQMISDMO-LLVKDONJSA-N 2 2 282.388 -0.606 20 0 CBADLP CC1(C)C[N@@H+](CC(N)=O)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000977592400 614616555 /nfs/dbraw/zinc/61/65/55/614616555.db2.gz CGVRQNMQMISDMO-LLVKDONJSA-N 2 2 282.388 -0.606 20 0 CBADLP CCN(C(=O)[C@@H]1CC[N@H+](C)C1)C1C[NH+](CCO)C1 ZINC000957386413 614626115 /nfs/dbraw/zinc/62/61/15/614626115.db2.gz YAAVHEYDRFYWFT-LLVKDONJSA-N 2 2 255.362 -0.537 20 0 CBADLP CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1C[NH+](CCO)C1 ZINC000957386413 614626119 /nfs/dbraw/zinc/62/61/19/614626119.db2.gz YAAVHEYDRFYWFT-LLVKDONJSA-N 2 2 255.362 -0.537 20 0 CBADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](CC(N)=O)C1 ZINC000969798083 614664002 /nfs/dbraw/zinc/66/40/02/614664002.db2.gz RMFLLLMOAQSCGZ-DGCLKSJQSA-N 2 2 296.415 -0.217 20 0 CBADLP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](CC(N)=O)C1 ZINC000969798083 614664004 /nfs/dbraw/zinc/66/40/04/614664004.db2.gz RMFLLLMOAQSCGZ-DGCLKSJQSA-N 2 2 296.415 -0.217 20 0 CBADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCO)C1 ZINC000969465150 615002451 /nfs/dbraw/zinc/00/24/51/615002451.db2.gz LWZPWYKXQHKMNC-ZIAGYGMSSA-N 2 2 299.415 -0.330 20 0 CBADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCO)C1 ZINC000969465150 615002452 /nfs/dbraw/zinc/00/24/52/615002452.db2.gz LWZPWYKXQHKMNC-ZIAGYGMSSA-N 2 2 299.415 -0.330 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](CCCO)CC2)C1 ZINC000957724532 615180988 /nfs/dbraw/zinc/18/09/88/615180988.db2.gz VNUZTWXOEYSSCT-ZDUSSCGKSA-N 2 2 285.388 -0.766 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[NH+](CCCO)CC2)C1 ZINC000957724532 615180989 /nfs/dbraw/zinc/18/09/89/615180989.db2.gz VNUZTWXOEYSSCT-ZDUSSCGKSA-N 2 2 285.388 -0.766 20 0 CBADLP CC[C@@H](C(=O)N1CCC[N@@H+]([C@@H](C)C(=O)NC)CC1)[NH+](C)C ZINC000981975922 615370295 /nfs/dbraw/zinc/37/02/95/615370295.db2.gz DMRFTLICJCFKKK-STQMWFEESA-N 2 2 298.431 -0.005 20 0 CBADLP CC[C@@H](C(=O)N1CCC[N@H+]([C@@H](C)C(=O)NC)CC1)[NH+](C)C ZINC000981975922 615370299 /nfs/dbraw/zinc/37/02/99/615370299.db2.gz DMRFTLICJCFKKK-STQMWFEESA-N 2 2 298.431 -0.005 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000980839567 615398660 /nfs/dbraw/zinc/39/86/60/615398660.db2.gz JMYLOCOHCBGGJP-STQMWFEESA-N 2 2 296.415 -0.121 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000980839567 615398663 /nfs/dbraw/zinc/39/86/63/615398663.db2.gz JMYLOCOHCBGGJP-STQMWFEESA-N 2 2 296.415 -0.121 20 0 CBADLP CC[C@@H](C(N)=O)[NH+]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000980839567 615398665 /nfs/dbraw/zinc/39/86/65/615398665.db2.gz JMYLOCOHCBGGJP-STQMWFEESA-N 2 2 296.415 -0.121 20 0 CBADLP CC[C@@H](C(N)=O)[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000980839567 615398668 /nfs/dbraw/zinc/39/86/68/615398668.db2.gz JMYLOCOHCBGGJP-STQMWFEESA-N 2 2 296.415 -0.121 20 0 CBADLP CC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000958199405 615407103 /nfs/dbraw/zinc/40/71/03/615407103.db2.gz IFPDUYNLLHHGCA-GWCFXTLKSA-N 2 2 296.371 -0.221 20 0 CBADLP CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000958199405 615407105 /nfs/dbraw/zinc/40/71/05/615407105.db2.gz IFPDUYNLLHHGCA-GWCFXTLKSA-N 2 2 296.371 -0.221 20 0 CBADLP CC[C@@H]([NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1)C(N)=O ZINC000970482053 615537749 /nfs/dbraw/zinc/53/77/49/615537749.db2.gz OLDPVSUJWXICCY-ZYHUDNBSSA-N 2 2 293.371 -0.583 20 0 CBADLP CC[C@H](C(=O)N1CC[NH+](CCCO)CC1)[NH+](C)C ZINC000957358644 615601439 /nfs/dbraw/zinc/60/14/39/615601439.db2.gz DOMBNEJKLRSEMZ-GFCCVEGCSA-N 2 2 257.378 -0.147 20 0 CBADLP CC[C@H]([NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1)C(N)=O ZINC000970341310 615822146 /nfs/dbraw/zinc/82/21/46/615822146.db2.gz NOBAHEFQEOFMLH-ZJUUUORDSA-N 2 2 279.344 -0.593 20 0 CBADLP CN(C)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1 ZINC000963026277 615965063 /nfs/dbraw/zinc/96/50/63/615965063.db2.gz YDQQCRNXOQTVBT-YABSGUDNSA-N 2 2 291.355 -0.982 20 0 CBADLP CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1 ZINC000963026277 615965064 /nfs/dbraw/zinc/96/50/64/615965064.db2.gz YDQQCRNXOQTVBT-YABSGUDNSA-N 2 2 291.355 -0.982 20 0 CBADLP C[N@H+](CC(N)=O)[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC000971802097 616055762 /nfs/dbraw/zinc/05/57/62/616055762.db2.gz YTGYAJNGRRUBNV-NWDGAFQWSA-N 2 2 282.388 -0.511 20 0 CBADLP C[N@@H+](CC(N)=O)[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC000971802097 616055763 /nfs/dbraw/zinc/05/57/63/616055763.db2.gz YTGYAJNGRRUBNV-NWDGAFQWSA-N 2 2 282.388 -0.511 20 0 CBADLP C[NH+](CC(N)=O)[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000971802097 616055765 /nfs/dbraw/zinc/05/57/65/616055765.db2.gz YTGYAJNGRRUBNV-NWDGAFQWSA-N 2 2 282.388 -0.511 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC(N)=O)CC1(C)C ZINC000940624898 616194681 /nfs/dbraw/zinc/19/46/81/616194681.db2.gz MCENTUMPVWEITP-NEPJUHHUSA-N 2 2 296.415 -0.217 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC(N)=O)CC1(C)C ZINC000940624898 616194682 /nfs/dbraw/zinc/19/46/82/616194682.db2.gz MCENTUMPVWEITP-NEPJUHHUSA-N 2 2 296.415 -0.217 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC(N)=O)CC1(C)C ZINC000940624898 616194683 /nfs/dbraw/zinc/19/46/83/616194683.db2.gz MCENTUMPVWEITP-NEPJUHHUSA-N 2 2 296.415 -0.217 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)CC1(C)C ZINC000940624898 616194684 /nfs/dbraw/zinc/19/46/84/616194684.db2.gz MCENTUMPVWEITP-NEPJUHHUSA-N 2 2 296.415 -0.217 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CC(N)=O ZINC000968780237 616210934 /nfs/dbraw/zinc/21/09/34/616210934.db2.gz BETDDQDBLYFUAJ-STQMWFEESA-N 2 2 296.415 -0.073 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CC(N)=O ZINC000968780237 616210935 /nfs/dbraw/zinc/21/09/35/616210935.db2.gz BETDDQDBLYFUAJ-STQMWFEESA-N 2 2 296.415 -0.073 20 0 CBADLP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1CC(N)=O ZINC000968780237 616210936 /nfs/dbraw/zinc/21/09/36/616210936.db2.gz BETDDQDBLYFUAJ-STQMWFEESA-N 2 2 296.415 -0.073 20 0 CBADLP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1CC(N)=O ZINC000968780237 616210937 /nfs/dbraw/zinc/21/09/37/616210937.db2.gz BETDDQDBLYFUAJ-STQMWFEESA-N 2 2 296.415 -0.073 20 0 CBADLP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC[NH+](CC(N)=O)CC1 ZINC000981369176 616213272 /nfs/dbraw/zinc/21/32/72/616213272.db2.gz FEZVUGXONNZEEC-ZDUSSCGKSA-N 2 2 296.415 -0.120 20 0 CBADLP C[N@H+]1CCC[C@H]1CCC(=O)N1CCC[NH+](CC(N)=O)CC1 ZINC000981369176 616213273 /nfs/dbraw/zinc/21/32/73/616213273.db2.gz FEZVUGXONNZEEC-ZDUSSCGKSA-N 2 2 296.415 -0.120 20 0 CBADLP C[NH+]1CCC[C@H]1CCC(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000981369176 616213274 /nfs/dbraw/zinc/21/32/74/616213274.db2.gz FEZVUGXONNZEEC-ZDUSSCGKSA-N 2 2 296.415 -0.120 20 0 CBADLP C[NH+]1CCC[C@H]1CCC(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000981369176 616213275 /nfs/dbraw/zinc/21/32/75/616213275.db2.gz FEZVUGXONNZEEC-ZDUSSCGKSA-N 2 2 296.415 -0.120 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[NH+](CCCO)CC2)C1 ZINC000980893139 616251196 /nfs/dbraw/zinc/25/11/96/616251196.db2.gz GHOCKSGGXGKZBW-CYBMUJFWSA-N 2 2 285.388 -0.766 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N2CCC[NH+](CCCO)CC2)C1 ZINC000980893139 616251197 /nfs/dbraw/zinc/25/11/97/616251197.db2.gz GHOCKSGGXGKZBW-CYBMUJFWSA-N 2 2 285.388 -0.766 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)N2CCC[N@H+](CCCO)CC2)C1 ZINC000980893139 616251198 /nfs/dbraw/zinc/25/11/98/616251198.db2.gz GHOCKSGGXGKZBW-CYBMUJFWSA-N 2 2 285.388 -0.766 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)N2CCC[N@@H+](CCCO)CC2)C1 ZINC000980893139 616251199 /nfs/dbraw/zinc/25/11/99/616251199.db2.gz GHOCKSGGXGKZBW-CYBMUJFWSA-N 2 2 285.388 -0.766 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCCO)CC2(C)C)C1 ZINC000972991030 616253087 /nfs/dbraw/zinc/25/30/87/616253087.db2.gz CNOXLUBDTIQXDZ-CHWSQXEVSA-N 2 2 299.415 -0.474 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCCO)CC2(C)C)C1 ZINC000972991030 616253088 /nfs/dbraw/zinc/25/30/88/616253088.db2.gz CNOXLUBDTIQXDZ-CHWSQXEVSA-N 2 2 299.415 -0.474 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCCO)CC2(C)C)C1 ZINC000972991030 616253089 /nfs/dbraw/zinc/25/30/89/616253089.db2.gz CNOXLUBDTIQXDZ-CHWSQXEVSA-N 2 2 299.415 -0.474 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCO)CC2(C)C)C1 ZINC000972991030 616253090 /nfs/dbraw/zinc/25/30/90/616253090.db2.gz CNOXLUBDTIQXDZ-CHWSQXEVSA-N 2 2 299.415 -0.474 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCO)CC2(C)C)C1 ZINC000972991276 616259736 /nfs/dbraw/zinc/25/97/36/616259736.db2.gz HQOQZLNRANXLHX-NWDGAFQWSA-N 2 2 285.388 -0.864 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCO)CC2(C)C)C1 ZINC000972991276 616259737 /nfs/dbraw/zinc/25/97/37/616259737.db2.gz HQOQZLNRANXLHX-NWDGAFQWSA-N 2 2 285.388 -0.864 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCO)CC2(C)C)C1 ZINC000972991276 616259738 /nfs/dbraw/zinc/25/97/38/616259738.db2.gz HQOQZLNRANXLHX-NWDGAFQWSA-N 2 2 285.388 -0.864 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCO)CC2(C)C)C1 ZINC000972991276 616259739 /nfs/dbraw/zinc/25/97/39/616259739.db2.gz HQOQZLNRANXLHX-NWDGAFQWSA-N 2 2 285.388 -0.864 20 0 CBADLP C[N@@H+]1CC[C@@H](C(=O)N2CC[NH+](CCn3cccn3)CC2)C1 ZINC000957649459 616264737 /nfs/dbraw/zinc/26/47/37/616264737.db2.gz KXWYIUDKCQDHKX-CQSZACIVSA-N 2 2 291.399 -0.021 20 0 CBADLP C[N@H+]1CC[C@@H](C(=O)N2CC[NH+](CCn3cccn3)CC2)C1 ZINC000957649459 616264738 /nfs/dbraw/zinc/26/47/38/616264738.db2.gz KXWYIUDKCQDHKX-CQSZACIVSA-N 2 2 291.399 -0.021 20 0 CBADLP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]Cc3cnon3)C2)C1 ZINC000970711219 616265108 /nfs/dbraw/zinc/26/51/08/616265108.db2.gz COBYLEFJJSIDPW-GHMZBOCLSA-N 2 2 279.344 -0.288 20 0 CBADLP C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]Cc3cnon3)C2)C1 ZINC000970711219 616265109 /nfs/dbraw/zinc/26/51/09/616265109.db2.gz COBYLEFJJSIDPW-GHMZBOCLSA-N 2 2 279.344 -0.288 20 0 CBADLP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[NH+](CC(N)=O)CC2(C)C)C1 ZINC000977599315 616267443 /nfs/dbraw/zinc/26/74/43/616267443.db2.gz LWPMEGJCCFOPAX-MNOVXSKESA-N 2 2 282.388 -0.750 20 0 CBADLP C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[NH+](CC(N)=O)CC2(C)C)C1 ZINC000977599315 616267444 /nfs/dbraw/zinc/26/74/44/616267444.db2.gz LWPMEGJCCFOPAX-MNOVXSKESA-N 2 2 282.388 -0.750 20 0 CBADLP C[NH+]1CC[C@@H](C(=O)N[C@H]2C[N@H+](CC(N)=O)CC2(C)C)C1 ZINC000977599315 616267445 /nfs/dbraw/zinc/26/74/45/616267445.db2.gz LWPMEGJCCFOPAX-MNOVXSKESA-N 2 2 282.388 -0.750 20 0 CBADLP C[NH+]1CC[C@@H](C(=O)N[C@H]2C[N@@H+](CC(N)=O)CC2(C)C)C1 ZINC000977599315 616267446 /nfs/dbraw/zinc/26/74/46/616267446.db2.gz LWPMEGJCCFOPAX-MNOVXSKESA-N 2 2 282.388 -0.750 20 0 CBADLP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](Cc4cnon4)C[C@H]32)C1 ZINC000962582897 616267681 /nfs/dbraw/zinc/26/76/81/616267681.db2.gz BPXOKGRINHQHMF-XEZLXBQYSA-N 2 2 291.355 -0.432 20 0 CBADLP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](Cc4cnon4)C[C@H]32)C1 ZINC000962582897 616267682 /nfs/dbraw/zinc/26/76/82/616267682.db2.gz BPXOKGRINHQHMF-XEZLXBQYSA-N 2 2 291.355 -0.432 20 0 CBADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4cnon4)C[C@H]32)C1 ZINC000962582897 616267683 /nfs/dbraw/zinc/26/76/83/616267683.db2.gz BPXOKGRINHQHMF-XEZLXBQYSA-N 2 2 291.355 -0.432 20 0 CBADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4cnon4)C[C@H]32)C1 ZINC000962582897 616267684 /nfs/dbraw/zinc/26/76/84/616267684.db2.gz BPXOKGRINHQHMF-XEZLXBQYSA-N 2 2 291.355 -0.432 20 0 CBADLP COCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC000972991265 616438134 /nfs/dbraw/zinc/43/81/34/616438134.db2.gz HJHMZBHKVHVRLW-QWHCGFSZSA-N 2 2 299.415 -0.210 20 0 CBADLP COCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC000972991265 616438137 /nfs/dbraw/zinc/43/81/37/616438137.db2.gz HJHMZBHKVHVRLW-QWHCGFSZSA-N 2 2 299.415 -0.210 20 0 CBADLP COCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C(C)(C)C1 ZINC000972991265 616438139 /nfs/dbraw/zinc/43/81/39/616438139.db2.gz HJHMZBHKVHVRLW-QWHCGFSZSA-N 2 2 299.415 -0.210 20 0 CBADLP COCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C(C)(C)C1 ZINC000972991265 616438142 /nfs/dbraw/zinc/43/81/42/616438142.db2.gz HJHMZBHKVHVRLW-QWHCGFSZSA-N 2 2 299.415 -0.210 20 0 CBADLP COCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC000972991263 616439390 /nfs/dbraw/zinc/43/93/90/616439390.db2.gz HJHMZBHKVHVRLW-CHWSQXEVSA-N 2 2 299.415 -0.210 20 0 CBADLP COCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC000972991263 616439393 /nfs/dbraw/zinc/43/93/93/616439393.db2.gz HJHMZBHKVHVRLW-CHWSQXEVSA-N 2 2 299.415 -0.210 20 0 CBADLP COCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C(C)(C)C1 ZINC000972991263 616439394 /nfs/dbraw/zinc/43/93/94/616439394.db2.gz HJHMZBHKVHVRLW-CHWSQXEVSA-N 2 2 299.415 -0.210 20 0 CBADLP COCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C(C)(C)C1 ZINC000972991263 616439397 /nfs/dbraw/zinc/43/93/97/616439397.db2.gz HJHMZBHKVHVRLW-CHWSQXEVSA-N 2 2 299.415 -0.210 20 0 CBADLP COCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH]c[nH+]1 ZINC000961892964 616466651 /nfs/dbraw/zinc/46/66/51/616466651.db2.gz XLPRIZRIZXAKKT-PJXYFTJBSA-N 2 2 264.329 -0.355 20 0 CBADLP COCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH]c[nH+]1 ZINC000961892964 616466653 /nfs/dbraw/zinc/46/66/53/616466653.db2.gz XLPRIZRIZXAKKT-PJXYFTJBSA-N 2 2 264.329 -0.355 20 0 CBADLP CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000969382642 616596549 /nfs/dbraw/zinc/59/65/49/616596549.db2.gz VTRQWJXIAYESIQ-PWSUYJOCSA-N 2 2 282.388 -0.737 20 0 CBADLP CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000969382642 616596550 /nfs/dbraw/zinc/59/65/50/616596550.db2.gz VTRQWJXIAYESIQ-PWSUYJOCSA-N 2 2 282.388 -0.737 20 0 CBADLP CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000969969930 616596803 /nfs/dbraw/zinc/59/68/03/616596803.db2.gz QMAJDRGARXDNCL-DGCLKSJQSA-N 2 2 296.415 -0.347 20 0 CBADLP CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000969969930 616596808 /nfs/dbraw/zinc/59/68/08/616596808.db2.gz QMAJDRGARXDNCL-DGCLKSJQSA-N 2 2 296.415 -0.347 20 0 CBADLP CNC(=O)C[N@@H+]1CCCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC000981955788 616603781 /nfs/dbraw/zinc/60/37/81/616603781.db2.gz VIGSALMMKSMHTA-ZDUSSCGKSA-N 2 2 296.415 -0.392 20 0 CBADLP CNC(=O)C[N@H+]1CCCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC000981955788 616603782 /nfs/dbraw/zinc/60/37/82/616603782.db2.gz VIGSALMMKSMHTA-ZDUSSCGKSA-N 2 2 296.415 -0.392 20 0 CBADLP CNC(=O)C[NH+]1CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC000981955788 616603784 /nfs/dbraw/zinc/60/37/84/616603784.db2.gz VIGSALMMKSMHTA-ZDUSSCGKSA-N 2 2 296.415 -0.392 20 0 CBADLP CNC(=O)C[NH+]1CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC000981955788 616603787 /nfs/dbraw/zinc/60/37/87/616603787.db2.gz VIGSALMMKSMHTA-ZDUSSCGKSA-N 2 2 296.415 -0.392 20 0 CBADLP C[C@@H]1CCCCN1S(=O)(=O)N1CC[NH2+]CC[NH2+]CC1 ZINC000923690885 658397852 /nfs/dbraw/zinc/39/78/52/658397852.db2.gz SLBRGUZNOJFCEK-GFCCVEGCSA-N 2 2 290.433 -0.400 20 0 CBADLP O=S(=O)(NCc1cn2c([nH+]1)CCCC2)C1C[NH2+]C1 ZINC000923602776 658347156 /nfs/dbraw/zinc/34/71/56/658347156.db2.gz FYTJGNKTGOOGEV-UHFFFAOYSA-N 2 2 270.358 -0.389 20 0 CBADLP C[C@@H]([NH2+]CC[C@@H]1CNCCS1(=O)=O)[C@@H]1CCC[NH2+]1 ZINC000925788927 658871660 /nfs/dbraw/zinc/87/16/60/658871660.db2.gz DKJJHPXEMNLEKL-UTUOFQBUSA-N 2 2 275.418 -0.507 20 0 CBADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC[C@@H]1CNCCS1(=O)=O ZINC000925792248 658871676 /nfs/dbraw/zinc/87/16/76/658871676.db2.gz VKVSBOPOUPRYGN-QJPTWQEYSA-N 2 2 275.418 -0.507 20 0 CBADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]CC[C@@H]1CNCCS1(=O)=O ZINC000925787397 658871916 /nfs/dbraw/zinc/87/19/16/658871916.db2.gz BBIPYRVZTKCSJU-MNOVXSKESA-N 2 2 275.418 -0.507 20 0 CBADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC[C@H]1CNCCS1(=O)=O ZINC000925788115 658872044 /nfs/dbraw/zinc/87/20/44/658872044.db2.gz FZNSKIJWIMCOLN-WOPDTQHZSA-N 2 2 275.418 -0.649 20 0 CBADLP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@@H]1C(=O)NCC1(C)C ZINC000931655306 659503174 /nfs/dbraw/zinc/50/31/74/659503174.db2.gz PUJDDOAOYQRHRJ-WDEREUQCSA-N 2 2 257.378 -0.198 20 0 CBADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@@H]1C(=O)NCC1(C)C ZINC000931655306 659503178 /nfs/dbraw/zinc/50/31/78/659503178.db2.gz PUJDDOAOYQRHRJ-WDEREUQCSA-N 2 2 257.378 -0.198 20 0 CBADLP C[N@H+](C[C@@H](O)C[NH2+][C@@H]1C(=O)NCC1(C)C)C1CC1 ZINC000931654361 659503685 /nfs/dbraw/zinc/50/36/85/659503685.db2.gz COAKBKMIZAYKNK-WDEREUQCSA-N 2 2 255.362 -0.444 20 0 CBADLP C[N@@H+](C[C@@H](O)C[NH2+][C@@H]1C(=O)NCC1(C)C)C1CC1 ZINC000931654361 659503693 /nfs/dbraw/zinc/50/36/93/659503693.db2.gz COAKBKMIZAYKNK-WDEREUQCSA-N 2 2 255.362 -0.444 20 0 CBADLP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H](C[NH3+])C2)CCO1 ZINC000044529740 656010603 /nfs/dbraw/zinc/01/06/03/656010603.db2.gz XVBKGWZMPVGQBF-VXGBXAGGSA-N 2 2 255.362 -0.096 20 0 CBADLP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H](C[NH3+])C2)CCO1 ZINC000044529740 656010605 /nfs/dbraw/zinc/01/06/05/656010605.db2.gz XVBKGWZMPVGQBF-VXGBXAGGSA-N 2 2 255.362 -0.096 20 0 CBADLP CO[C@@H]1CCC[C@@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000050373723 656020807 /nfs/dbraw/zinc/02/08/07/656020807.db2.gz MCWSMKMEHVAKGT-NWDGAFQWSA-N 2 2 255.362 -0.083 20 0 CBADLP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[NH+](CCO)CC1 ZINC000087084392 656052291 /nfs/dbraw/zinc/05/22/91/656052291.db2.gz YSGQRUSXRUPHNT-GFCCVEGCSA-N 2 2 255.362 -0.393 20 0 CBADLP C[C@@H]1CCC[N@H+]1CC(=O)N1CC[NH+](CCO)CC1 ZINC000087084392 656052294 /nfs/dbraw/zinc/05/22/94/656052294.db2.gz YSGQRUSXRUPHNT-GFCCVEGCSA-N 2 2 255.362 -0.393 20 0 CBADLP C[C@H](CNC(=O)C[C@H]1CCC[NH2+]1)[NH+]1CCN(C)CC1 ZINC000178880819 656088914 /nfs/dbraw/zinc/08/89/14/656088914.db2.gz MAWHPOMWZCIXQT-CHWSQXEVSA-N 2 2 268.405 -0.119 20 0 CBADLP C[N@@H+]1CCN(Cc2ccc(OCC(N)=O)cc2)[C@@H](C[NH3+])C1 ZINC000226605718 656107737 /nfs/dbraw/zinc/10/77/37/656107737.db2.gz RMPMPMNDONBVSF-ZDUSSCGKSA-N 2 2 292.383 -0.375 20 0 CBADLP C[N@H+]1CCN(Cc2ccc(OCC(N)=O)cc2)[C@@H](C[NH3+])C1 ZINC000226605718 656107739 /nfs/dbraw/zinc/10/77/39/656107739.db2.gz RMPMPMNDONBVSF-ZDUSSCGKSA-N 2 2 292.383 -0.375 20 0 CBADLP CCN(CC)C(=O)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000228808200 656110120 /nfs/dbraw/zinc/11/01/20/656110120.db2.gz FLDNLBGTPVEJSO-GFCCVEGCSA-N 2 2 257.378 -0.099 20 0 CBADLP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)CCO1 ZINC000251858486 656122675 /nfs/dbraw/zinc/12/26/75/656122675.db2.gz SELQKAURWXURIX-IJLUTSLNSA-N 2 2 255.362 -0.097 20 0 CBADLP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)CCO1 ZINC000251858486 656122677 /nfs/dbraw/zinc/12/26/77/656122677.db2.gz SELQKAURWXURIX-IJLUTSLNSA-N 2 2 255.362 -0.097 20 0 CBADLP Cc1nonc1C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000310890430 656144276 /nfs/dbraw/zinc/14/42/76/656144276.db2.gz XUTLWSNFCIOAMD-LLVKDONJSA-N 2 2 251.334 -0.142 20 0 CBADLP Cc1nonc1C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000310890430 656144279 /nfs/dbraw/zinc/14/42/79/656144279.db2.gz XUTLWSNFCIOAMD-LLVKDONJSA-N 2 2 251.334 -0.142 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000311667225 656146022 /nfs/dbraw/zinc/14/60/22/656146022.db2.gz GQJPJQVPPRMRQX-GXTWGEPZSA-N 3 2 273.421 -0.015 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000311667225 656146025 /nfs/dbraw/zinc/14/60/25/656146025.db2.gz GQJPJQVPPRMRQX-GXTWGEPZSA-N 3 2 273.421 -0.015 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000311752069 656146475 /nfs/dbraw/zinc/14/64/75/656146475.db2.gz VBYIZVACTFDCOD-MJBXVCDLSA-N 3 2 273.421 -0.015 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000311752069 656146476 /nfs/dbraw/zinc/14/64/76/656146476.db2.gz VBYIZVACTFDCOD-MJBXVCDLSA-N 3 2 273.421 -0.015 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000311752069 656146480 /nfs/dbraw/zinc/14/64/80/656146480.db2.gz VBYIZVACTFDCOD-MJBXVCDLSA-N 3 2 273.421 -0.015 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000311752069 656146483 /nfs/dbraw/zinc/14/64/83/656146483.db2.gz VBYIZVACTFDCOD-MJBXVCDLSA-N 3 2 273.421 -0.015 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000311667227 656146514 /nfs/dbraw/zinc/14/65/14/656146514.db2.gz GQJPJQVPPRMRQX-JSGCOSHPSA-N 3 2 273.421 -0.015 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000311667227 656146516 /nfs/dbraw/zinc/14/65/16/656146516.db2.gz GQJPJQVPPRMRQX-JSGCOSHPSA-N 3 2 273.421 -0.015 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000312971240 656147383 /nfs/dbraw/zinc/14/73/83/656147383.db2.gz KMHJMUVSNVJBRX-KKUMJFAQSA-N 3 2 285.432 -0.014 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000312971240 656147384 /nfs/dbraw/zinc/14/73/84/656147384.db2.gz KMHJMUVSNVJBRX-KKUMJFAQSA-N 3 2 285.432 -0.014 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000312971240 656147385 /nfs/dbraw/zinc/14/73/85/656147385.db2.gz KMHJMUVSNVJBRX-KKUMJFAQSA-N 3 2 285.432 -0.014 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000312971240 656147387 /nfs/dbraw/zinc/14/73/87/656147387.db2.gz KMHJMUVSNVJBRX-KKUMJFAQSA-N 3 2 285.432 -0.014 20 0 CBADLP COCC[NH+]1CCN(C(=O)c2[nH]nc3c2C[NH2+]CC3)CC1 ZINC000446266239 656171688 /nfs/dbraw/zinc/17/16/88/656171688.db2.gz JKNFGOGKCBZRSK-UHFFFAOYSA-N 2 2 293.371 -0.540 20 0 CBADLP C[N@H+](C[C@H](O)C[NH+]1CCCC1)CC(C)(CO)CO ZINC000704748146 656185446 /nfs/dbraw/zinc/18/54/46/656185446.db2.gz IFTSRUKXMSJUPD-LBPRGKRZSA-N 2 2 260.378 -0.634 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH+]1CCCC1)CC(C)(CO)CO ZINC000704748146 656185448 /nfs/dbraw/zinc/18/54/48/656185448.db2.gz IFTSRUKXMSJUPD-LBPRGKRZSA-N 2 2 260.378 -0.634 20 0 CBADLP C[C@@H](CNC(=O)CN1CC[NH2+]CC1=O)[NH+]1CCCCC1 ZINC000706673229 656188240 /nfs/dbraw/zinc/18/82/40/656188240.db2.gz HQQPQUJOUIVUPO-LBPRGKRZSA-N 2 2 282.388 -0.591 20 0 CBADLP COC[C@]1(C(=O)N[C@H](C)Cn2cc[nH+]c2)C[NH2+]CCO1 ZINC000710722569 656199969 /nfs/dbraw/zinc/19/99/69/656199969.db2.gz BVDYOAXQRPIJIY-YPMHNXCESA-N 2 2 282.344 -0.607 20 0 CBADLP COC[C@@]1(C(=O)N2CC[NH+](C3CC3)CC2)C[NH2+]CCO1 ZINC000710750106 656200971 /nfs/dbraw/zinc/20/09/71/656200971.db2.gz ZYCZZGIKEWOUDM-CQSZACIVSA-N 2 2 283.372 -0.702 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000715181830 656219332 /nfs/dbraw/zinc/21/93/32/656219332.db2.gz VCSQCXWHRGLKKR-UTLUCORTSA-N 2 2 277.315 -0.337 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000900208435 656306971 /nfs/dbraw/zinc/30/69/71/656306971.db2.gz IUMAQGBSDPMLPT-UKRRQHHQSA-N 2 2 299.415 -0.330 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000900208435 656306974 /nfs/dbraw/zinc/30/69/74/656306974.db2.gz IUMAQGBSDPMLPT-UKRRQHHQSA-N 2 2 299.415 -0.330 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCN1C ZINC000900813478 656312344 /nfs/dbraw/zinc/31/23/44/656312344.db2.gz ZLLBAKPEMDAIKD-WCQYABFASA-N 2 2 279.388 -0.058 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC000900813478 656312349 /nfs/dbraw/zinc/31/23/49/656312349.db2.gz ZLLBAKPEMDAIKD-WCQYABFASA-N 2 2 279.388 -0.058 20 0 CBADLP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC[NH+](C(C)(C)CO)CC1 ZINC000901227937 656317605 /nfs/dbraw/zinc/31/76/05/656317605.db2.gz JRDGBDGDFUZJQL-DOMZBBRYSA-N 2 2 299.415 -0.643 20 0 CBADLP Nc1ccc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)nn1 ZINC000904351026 656325300 /nfs/dbraw/zinc/32/53/00/656325300.db2.gz SOZOFMDUIHDISX-GFCCVEGCSA-N 2 2 262.361 -0.462 20 0 CBADLP CN1CC[N@H+](C)CC(C(=O)N2CC[NH+](C)CC2)C1 ZINC000905016840 656334254 /nfs/dbraw/zinc/33/42/54/656334254.db2.gz GGEAPFWUSDHKBD-UHFFFAOYSA-N 2 2 254.378 -0.746 20 0 CBADLP CN1CC[N@@H+](C)CC(C(=O)N2CC[NH+](C)CC2)C1 ZINC000905016840 656334257 /nfs/dbraw/zinc/33/42/57/656334257.db2.gz GGEAPFWUSDHKBD-UHFFFAOYSA-N 2 2 254.378 -0.746 20 0 CBADLP CC(C)[C@@H]([NH3+])CNS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000905329722 656349422 /nfs/dbraw/zinc/34/94/22/656349422.db2.gz MOIATSZASSZKDA-LBPRGKRZSA-N 2 2 293.433 -0.389 20 0 CBADLP [NH3+]C1(CNS(=O)(=O)CCC[NH+]2CCOCC2)CCC1 ZINC000905341622 656350126 /nfs/dbraw/zinc/35/01/26/656350126.db2.gz BTZVDIIGUGPKCH-UHFFFAOYSA-N 2 2 291.417 -0.491 20 0 CBADLP CC(C)(CC[NH3+])NS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000905342562 656350762 /nfs/dbraw/zinc/35/07/62/656350762.db2.gz CDDKSMDHHRIREB-UHFFFAOYSA-N 2 2 293.433 -0.245 20 0 CBADLP C[C@@H]([NH3+])C[C@H](C)NS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000905346511 656351114 /nfs/dbraw/zinc/35/11/14/656351114.db2.gz UUJHNFVKNNSVFF-NEPJUHHUSA-N 2 2 293.433 -0.246 20 0 CBADLP CC[C@@H]([NH3+])CNS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000905344634 656351167 /nfs/dbraw/zinc/35/11/67/656351167.db2.gz QCQDXESCSOQZPC-LLVKDONJSA-N 2 2 279.406 -0.635 20 0 CBADLP C[C@@H]([NH3+])C[C@@H](C)NS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000905346520 656352018 /nfs/dbraw/zinc/35/20/18/656352018.db2.gz UUJHNFVKNNSVFF-VXGBXAGGSA-N 2 2 293.433 -0.246 20 0 CBADLP [NH3+][C@H]1C[C@H](CNS(=O)(=O)CCC[NH+]2CCOCC2)C1 ZINC000905359996 656353517 /nfs/dbraw/zinc/35/35/17/656353517.db2.gz QPQREVCTKBLUPY-HAQNSBGRSA-N 2 2 291.417 -0.635 20 0 CBADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C[C@@H](O)C1(O)CCC1 ZINC000905388235 656356052 /nfs/dbraw/zinc/35/60/52/656356052.db2.gz CTJMXJVLDUBHSJ-NWDGAFQWSA-N 2 2 285.388 -0.808 20 0 CBADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C[C@@H](O)C1(O)CCC1 ZINC000905388235 656356056 /nfs/dbraw/zinc/35/60/56/656356056.db2.gz CTJMXJVLDUBHSJ-NWDGAFQWSA-N 2 2 285.388 -0.808 20 0 CBADLP Cn1nccc1[C@@H](O)C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000905627215 656363563 /nfs/dbraw/zinc/36/35/63/656363563.db2.gz TXOGFYQKIXTQCF-AAEUAGOBSA-N 2 2 268.361 -0.500 20 0 CBADLP CON1CC[C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1=O ZINC000905772290 656367937 /nfs/dbraw/zinc/36/79/37/656367937.db2.gz CPIYSKBWBLXTNW-QWHCGFSZSA-N 2 2 283.372 -0.008 20 0 CBADLP [NH3+][C@H]1C[C@H]([NH2+]Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000906518498 656390334 /nfs/dbraw/zinc/39/03/34/656390334.db2.gz QHRKIPKMFHDBRX-GMTAPVOTSA-N 3 2 250.350 -0.218 20 0 CBADLP C[C@H]1CN(C(=O)C2CN(C)CC[NH+](C)C2)CC[N@@H+]1C ZINC000906817316 656402758 /nfs/dbraw/zinc/40/27/58/656402758.db2.gz YWFBFNCZBIVYIY-LBPRGKRZSA-N 2 2 268.405 -0.358 20 0 CBADLP C[C@H]1CN(C(=O)C2CN(C)CC[NH+](C)C2)CC[N@H+]1C ZINC000906817316 656402759 /nfs/dbraw/zinc/40/27/59/656402759.db2.gz YWFBFNCZBIVYIY-LBPRGKRZSA-N 2 2 268.405 -0.358 20 0 CBADLP C[C@H]1CN(C(=O)C2CN(C)CC[N@H+](C)C2)CC[NH+]1C ZINC000906817316 656402760 /nfs/dbraw/zinc/40/27/60/656402760.db2.gz YWFBFNCZBIVYIY-LBPRGKRZSA-N 2 2 268.405 -0.358 20 0 CBADLP C[C@H]1CN(C(=O)C2CN(C)CC[N@@H+](C)C2)CC[NH+]1C ZINC000906817316 656402761 /nfs/dbraw/zinc/40/27/61/656402761.db2.gz YWFBFNCZBIVYIY-LBPRGKRZSA-N 2 2 268.405 -0.358 20 0 CBADLP CC1(C)CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]CCO ZINC000996356244 656408763 /nfs/dbraw/zinc/40/87/63/656408763.db2.gz RAASZYMUXIAHNS-LLVKDONJSA-N 2 2 266.345 -0.229 20 0 CBADLP CC1(C)CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1[NH2+]CC(N)=O ZINC000996458736 656414488 /nfs/dbraw/zinc/41/44/88/656414488.db2.gz WXJHRGUZITVAKK-VIFPVBQESA-N 2 2 279.344 -0.736 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]([NH2+]CCO)C(C)(C)C1 ZINC000996520640 656417473 /nfs/dbraw/zinc/41/74/73/656417473.db2.gz UBRBOFJEHGZSHQ-GFCCVEGCSA-N 2 2 280.372 -0.219 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]([NH2+]CC(N)=O)C(C)(C)C1 ZINC000996560644 656419987 /nfs/dbraw/zinc/41/99/87/656419987.db2.gz CGZPIQXIHLQNRF-NSHDSACASA-N 2 2 293.371 -0.427 20 0 CBADLP C[C@@H](NC(=O)C1CN(C)CC[N@H+](C)C1)[C@@H]1C[NH+](C)CCO1 ZINC000907071394 656420603 /nfs/dbraw/zinc/42/06/03/656420603.db2.gz QMTZPAFJERGRAT-OCCSQVGLSA-N 2 2 298.431 -0.685 20 0 CBADLP C[C@@H](NC(=O)C1CN(C)CC[N@@H+](C)C1)[C@@H]1C[NH+](C)CCO1 ZINC000907071394 656420608 /nfs/dbraw/zinc/42/06/08/656420608.db2.gz QMTZPAFJERGRAT-OCCSQVGLSA-N 2 2 298.431 -0.685 20 0 CBADLP C[C@@H](NC(=O)C1CN(C)CC[NH+](C)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000907071394 656420610 /nfs/dbraw/zinc/42/06/10/656420610.db2.gz QMTZPAFJERGRAT-OCCSQVGLSA-N 2 2 298.431 -0.685 20 0 CBADLP C[C@@H](NC(=O)C1CN(C)CC[NH+](C)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000907071394 656420615 /nfs/dbraw/zinc/42/06/15/656420615.db2.gz QMTZPAFJERGRAT-OCCSQVGLSA-N 2 2 298.431 -0.685 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)N1CCC([NH2+]CCO)CC1 ZINC000996650172 656449079 /nfs/dbraw/zinc/44/90/79/656449079.db2.gz GYCCBCGFMCYZKH-UHFFFAOYSA-N 2 2 266.345 -0.085 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)N1CCC([NH2+]CCO)CC1 ZINC000996650172 656449085 /nfs/dbraw/zinc/44/90/85/656449085.db2.gz GYCCBCGFMCYZKH-UHFFFAOYSA-N 2 2 266.345 -0.085 20 0 CBADLP C[C@H]([NH2+]C1CCN(C(=O)CCn2cc[nH+]c2)CC1)C(N)=O ZINC000996857744 656459246 /nfs/dbraw/zinc/45/92/46/656459246.db2.gz FJLDATFUIYGBFA-NSHDSACASA-N 2 2 293.371 -0.272 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CCC([NH2+][C@@H]2CCNC2=O)CC1 ZINC000997039311 656464466 /nfs/dbraw/zinc/46/44/66/656464466.db2.gz BSCQHPOKTTVBQD-GFCCVEGCSA-N 2 2 291.355 -0.579 20 0 CBADLP C[C@@H](O)C[NH2+]C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000997413347 656476012 /nfs/dbraw/zinc/47/60/12/656476012.db2.gz MXCOMHXLTHPENZ-LLVKDONJSA-N 2 2 266.345 -0.156 20 0 CBADLP NC(=O)C[NH2+][C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000999047506 656604586 /nfs/dbraw/zinc/60/45/86/656604586.db2.gz VMPNGONCIVWMMU-JTQLQIEISA-N 2 2 279.344 -0.592 20 0 CBADLP C[C@@H]([NH2+][C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1)C(N)=O ZINC000999320521 656621521 /nfs/dbraw/zinc/62/15/21/656621521.db2.gz AAEPYTAUQHPITQ-PWSUYJOCSA-N 2 2 293.371 -0.203 20 0 CBADLP C[C@@H]([NH2+][C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1)C(N)=O ZINC000999320521 656621527 /nfs/dbraw/zinc/62/15/27/656621527.db2.gz AAEPYTAUQHPITQ-PWSUYJOCSA-N 2 2 293.371 -0.203 20 0 CBADLP CN(C(=O)Cc1c[nH+]c[nH]1)C1CC([NH2+]CCO)C1 ZINC000999473552 656630532 /nfs/dbraw/zinc/63/05/32/656630532.db2.gz OTJZXDRLEKTXQQ-UHFFFAOYSA-N 2 2 252.318 -0.477 20 0 CBADLP C[C@@H]([NH2+]C1CC(N(C)C(=O)Cc2c[nH+]c[nH]2)C1)C(N)=O ZINC000999469444 656630660 /nfs/dbraw/zinc/63/06/60/656630660.db2.gz OOYAPJVUORZGBH-FKTRJACZSA-N 2 2 279.344 -0.595 20 0 CBADLP CC[C@@H]([NH2+]C1CC(N(C)C(=O)Cc2[nH]cc[nH+]2)C1)C(N)=O ZINC000999611865 656638819 /nfs/dbraw/zinc/63/88/19/656638819.db2.gz VGRBJBXYLAWBPZ-VQXHTEKXSA-N 2 2 293.371 -0.205 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C1CC([NH2+][C@H](C)C(N)=O)C1 ZINC000999748628 656648810 /nfs/dbraw/zinc/64/88/10/656648810.db2.gz ZJGKXUNDBXDYHP-KPPDAEKUSA-N 2 2 293.371 -0.287 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)N1CCC[C@H]([NH2+]CCO)C1 ZINC000999777619 656650098 /nfs/dbraw/zinc/65/00/98/656650098.db2.gz SQJVYPJOQFCVJE-LBPRGKRZSA-N 2 2 280.372 -0.074 20 0 CBADLP C[C@H]([NH2+][C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1)C(N)=O ZINC000999837859 656656244 /nfs/dbraw/zinc/65/62/44/656656244.db2.gz SZEQJYVHWMMTRK-RYUDHWBXSA-N 2 2 293.371 -0.272 20 0 CBADLP CN(C(=O)Cn1cc[nH+]c1)C1CC([NH2+][C@@H]2CCNC2=O)C1 ZINC000999915041 656669776 /nfs/dbraw/zinc/66/97/76/656669776.db2.gz FXEAIRIFEWEONL-HTAVTVPLSA-N 2 2 291.355 -0.649 20 0 CBADLP O=C(/C=C\C[NH+]1CCOCC1)N[C@@H](CO)C[NH+]1CCCC1 ZINC000908205913 656674800 /nfs/dbraw/zinc/67/48/00/656674800.db2.gz XUYRIJJNMZQBET-VQTKUKTRSA-N 2 2 297.399 -0.552 20 0 CBADLP C[C@@H](O)C[NH2+][C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001000558768 656735363 /nfs/dbraw/zinc/73/53/63/656735363.db2.gz GSQJECJSWULEIG-MNOVXSKESA-N 2 2 266.345 -0.086 20 0 CBADLP O=C(CNC(=O)Cc1c[nH]c[nH+]1)NCC[NH+]1CCCCC1 ZINC000909311034 656806017 /nfs/dbraw/zinc/80/60/17/656806017.db2.gz IKHHXZAJVCWLHM-UHFFFAOYSA-N 2 2 293.371 -0.330 20 0 CBADLP Cn1c[nH+]c(CCNC(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)c1 ZINC000909856036 656832809 /nfs/dbraw/zinc/83/28/09/656832809.db2.gz JTESPNAQFVBCON-DGCLKSJQSA-N 2 2 266.345 -0.466 20 0 CBADLP Cn1c[nH+]c(CCNC(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)c1 ZINC000909856036 656832813 /nfs/dbraw/zinc/83/28/13/656832813.db2.gz JTESPNAQFVBCON-DGCLKSJQSA-N 2 2 266.345 -0.466 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)NC2CC[NH+](CCF)CC2)C1 ZINC001002531036 656836583 /nfs/dbraw/zinc/83/65/83/656836583.db2.gz CFWINIUJFGLDJK-GFCCVEGCSA-N 2 2 273.352 -0.133 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)NC2CC[NH+](CCF)CC2)C1 ZINC001002531036 656836585 /nfs/dbraw/zinc/83/65/85/656836585.db2.gz CFWINIUJFGLDJK-GFCCVEGCSA-N 2 2 273.352 -0.133 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC1CC[NH+](CCO)CC1 ZINC001003844875 656875769 /nfs/dbraw/zinc/87/57/69/656875769.db2.gz GZZNGYQNORETQT-UHFFFAOYSA-N 2 2 252.318 -0.475 20 0 CBADLP C[C@H]1CN(C(=O)C(=O)NCCn2cc[nH+]c2)CC[C@H]1C[NH3+] ZINC000910986502 656922181 /nfs/dbraw/zinc/92/21/81/656922181.db2.gz JJJBKKQNEPLXSF-RYUDHWBXSA-N 2 2 293.371 -0.557 20 0 CBADLP C[C@H]1CN(C(=O)C(=O)NCCn2cc[nH+]c2)CC[C@@H]1C[NH3+] ZINC000910986501 656922888 /nfs/dbraw/zinc/92/28/88/656922888.db2.gz JJJBKKQNEPLXSF-NWDGAFQWSA-N 2 2 293.371 -0.557 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CCC(N(C)C(=O)Cn2cc[nH+]c2)CC1 ZINC001006472101 656947428 /nfs/dbraw/zinc/94/74/28/656947428.db2.gz CQCNNUWDADNBHT-LLVKDONJSA-N 2 2 293.371 -0.320 20 0 CBADLP CN(C)C(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001006921500 656980187 /nfs/dbraw/zinc/98/01/87/656980187.db2.gz ZRUKJTGANQOHKD-STQMWFEESA-N 2 2 296.415 -0.251 20 0 CBADLP CN(C)C(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001006921500 656980206 /nfs/dbraw/zinc/98/02/06/656980206.db2.gz ZRUKJTGANQOHKD-STQMWFEESA-N 2 2 296.415 -0.251 20 0 CBADLP CN(C)C(=O)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001006921500 656980219 /nfs/dbraw/zinc/98/02/19/656980219.db2.gz ZRUKJTGANQOHKD-STQMWFEESA-N 2 2 296.415 -0.251 20 0 CBADLP CN(C)C(=O)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001006921500 656980236 /nfs/dbraw/zinc/98/02/36/656980236.db2.gz ZRUKJTGANQOHKD-STQMWFEESA-N 2 2 296.415 -0.251 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000911379263 657032072 /nfs/dbraw/zinc/03/20/72/657032072.db2.gz BZSDTGUDQHMQQG-NEPJUHHUSA-N 2 2 282.388 -0.878 20 0 CBADLP C[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CC(N)=O)C2)CC1 ZINC001008404132 657043483 /nfs/dbraw/zinc/04/34/83/657043483.db2.gz IEMVLSVPPVNPNU-LBPRGKRZSA-N 2 2 282.388 -0.606 20 0 CBADLP C[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)C2)CC1 ZINC001008404132 657043484 /nfs/dbraw/zinc/04/34/84/657043484.db2.gz IEMVLSVPPVNPNU-LBPRGKRZSA-N 2 2 282.388 -0.606 20 0 CBADLP CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001009517818 657077724 /nfs/dbraw/zinc/07/77/24/657077724.db2.gz OYCXNDZHIKUPPG-GFCCVEGCSA-N 2 2 282.388 -0.591 20 0 CBADLP CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001009517818 657077729 /nfs/dbraw/zinc/07/77/29/657077729.db2.gz OYCXNDZHIKUPPG-GFCCVEGCSA-N 2 2 282.388 -0.591 20 0 CBADLP O=C(NCCCN1CC[NH2+]CC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000911628219 657088833 /nfs/dbraw/zinc/08/88/33/657088833.db2.gz JFKSXUNOIIOHSY-CYBMUJFWSA-N 2 2 291.399 -0.143 20 0 CBADLP C[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000911725518 657116281 /nfs/dbraw/zinc/11/62/81/657116281.db2.gz VZTMAXVYUIJCGO-MCIONIFRSA-N 2 2 297.399 -0.314 20 0 CBADLP [NH3+]C[C@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000911739765 657121181 /nfs/dbraw/zinc/12/11/81/657121181.db2.gz YFOIKXVDOBTJFM-MCIONIFRSA-N 2 2 297.399 -0.327 20 0 CBADLP O=C(NC[C@H]1CCC[NH2+]1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000911752740 657122709 /nfs/dbraw/zinc/12/27/09/657122709.db2.gz YDAYTKWOYMMRRG-MCIONIFRSA-N 2 2 297.399 -0.266 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](CCCF)C2)C1 ZINC001010427641 657184334 /nfs/dbraw/zinc/18/43/34/657184334.db2.gz MJFYAVMIBJGNCV-NWDGAFQWSA-N 2 2 273.352 -0.133 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](CCCF)C2)C1 ZINC001010427641 657184341 /nfs/dbraw/zinc/18/43/41/657184341.db2.gz MJFYAVMIBJGNCV-NWDGAFQWSA-N 2 2 273.352 -0.133 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@H+](CCCF)C2)C1 ZINC001010427641 657184351 /nfs/dbraw/zinc/18/43/51/657184351.db2.gz MJFYAVMIBJGNCV-NWDGAFQWSA-N 2 2 273.352 -0.133 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@@H+](CCCF)C2)C1 ZINC001010427641 657184359 /nfs/dbraw/zinc/18/43/59/657184359.db2.gz MJFYAVMIBJGNCV-NWDGAFQWSA-N 2 2 273.352 -0.133 20 0 CBADLP C/C=C\[C@H](O)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000912387612 657248118 /nfs/dbraw/zinc/24/81/18/657248118.db2.gz QEENIKDNJMNRJM-HWPRWLFBSA-N 2 2 257.378 -0.077 20 0 CBADLP C/C=C\[C@H](O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000912387612 657248130 /nfs/dbraw/zinc/24/81/30/657248130.db2.gz QEENIKDNJMNRJM-HWPRWLFBSA-N 2 2 257.378 -0.077 20 0 CBADLP CN1C(=O)CCC[C@H]1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000912388413 657249550 /nfs/dbraw/zinc/24/95/50/657249550.db2.gz WGLAUHQJMUSFCX-ZDUSSCGKSA-N 2 2 298.431 -0.003 20 0 CBADLP CN1C(=O)CCC[C@H]1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000912388413 657249558 /nfs/dbraw/zinc/24/95/58/657249558.db2.gz WGLAUHQJMUSFCX-ZDUSSCGKSA-N 2 2 298.431 -0.003 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000912734700 657317464 /nfs/dbraw/zinc/31/74/64/657317464.db2.gz MRYMAFRUXLYURO-LLVKDONJSA-N 2 2 252.318 -0.674 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000912734700 657317465 /nfs/dbraw/zinc/31/74/65/657317465.db2.gz MRYMAFRUXLYURO-LLVKDONJSA-N 2 2 252.318 -0.674 20 0 CBADLP C[N@H+](CC(=O)N1CC[NH+](C)C[C@H]1CO)C1CCC1 ZINC000912735940 657320270 /nfs/dbraw/zinc/32/02/70/657320270.db2.gz KELNGAJLONPDBL-LBPRGKRZSA-N 2 2 255.362 -0.394 20 0 CBADLP C[N@@H+](CC(=O)N1CC[NH+](C)C[C@H]1CO)C1CCC1 ZINC000912735940 657320277 /nfs/dbraw/zinc/32/02/77/657320277.db2.gz KELNGAJLONPDBL-LBPRGKRZSA-N 2 2 255.362 -0.394 20 0 CBADLP C[NH+](CC(=O)N1CC[N@H+](C)C[C@H]1CO)C1CCC1 ZINC000912735940 657320282 /nfs/dbraw/zinc/32/02/82/657320282.db2.gz KELNGAJLONPDBL-LBPRGKRZSA-N 2 2 255.362 -0.394 20 0 CBADLP C[NH+](CC(=O)N1CC[N@@H+](C)C[C@H]1CO)C1CCC1 ZINC000912735940 657320294 /nfs/dbraw/zinc/32/02/94/657320294.db2.gz KELNGAJLONPDBL-LBPRGKRZSA-N 2 2 255.362 -0.394 20 0 CBADLP C[N@@H+]1CCN(C(=O)[C@H]2CC[NH+]2C(C)(C)C)[C@H](CO)C1 ZINC000912736331 657321445 /nfs/dbraw/zinc/32/14/45/657321445.db2.gz SIAXQADNSCGZAD-NWDGAFQWSA-N 2 2 269.389 -0.006 20 0 CBADLP C[N@H+]1CCN(C(=O)[C@H]2CC[NH+]2C(C)(C)C)[C@H](CO)C1 ZINC000912736331 657321451 /nfs/dbraw/zinc/32/14/51/657321451.db2.gz SIAXQADNSCGZAD-NWDGAFQWSA-N 2 2 269.389 -0.006 20 0 CBADLP C[NH+]1CCN(C(=O)[C@H]2CC[N@@H+]2C(C)(C)C)[C@H](CO)C1 ZINC000912736331 657321460 /nfs/dbraw/zinc/32/14/60/657321460.db2.gz SIAXQADNSCGZAD-NWDGAFQWSA-N 2 2 269.389 -0.006 20 0 CBADLP C[NH+]1CCN(C(=O)[C@H]2CC[N@H+]2C(C)(C)C)[C@H](CO)C1 ZINC000912736331 657321471 /nfs/dbraw/zinc/32/14/71/657321471.db2.gz SIAXQADNSCGZAD-NWDGAFQWSA-N 2 2 269.389 -0.006 20 0 CBADLP C[N@H+](CC(=O)N1CC[NH+](C)C[C@H]1CO)[C@H]1CCSC1 ZINC000912741331 657334550 /nfs/dbraw/zinc/33/45/50/657334550.db2.gz SFNDUTGWLSRHHZ-RYUDHWBXSA-N 2 2 287.429 -0.441 20 0 CBADLP C[N@@H+](CC(=O)N1CC[NH+](C)C[C@H]1CO)[C@H]1CCSC1 ZINC000912741331 657334558 /nfs/dbraw/zinc/33/45/58/657334558.db2.gz SFNDUTGWLSRHHZ-RYUDHWBXSA-N 2 2 287.429 -0.441 20 0 CBADLP C[NH+](CC(=O)N1CC[N@H+](C)C[C@H]1CO)[C@H]1CCSC1 ZINC000912741331 657334568 /nfs/dbraw/zinc/33/45/68/657334568.db2.gz SFNDUTGWLSRHHZ-RYUDHWBXSA-N 2 2 287.429 -0.441 20 0 CBADLP C[NH+](CC(=O)N1CC[N@@H+](C)C[C@H]1CO)[C@H]1CCSC1 ZINC000912741331 657334579 /nfs/dbraw/zinc/33/45/79/657334579.db2.gz SFNDUTGWLSRHHZ-RYUDHWBXSA-N 2 2 287.429 -0.441 20 0 CBADLP C[NH+]1CCCC[C@H]1C(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000912742787 657335229 /nfs/dbraw/zinc/33/52/29/657335229.db2.gz IICZSFMTGZMNNT-NEPJUHHUSA-N 2 2 255.362 -0.394 20 0 CBADLP C[NH+]1CCCC[C@H]1C(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000912742787 657335233 /nfs/dbraw/zinc/33/52/33/657335233.db2.gz IICZSFMTGZMNNT-NEPJUHHUSA-N 2 2 255.362 -0.394 20 0 CBADLP C[NH+]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)[C@@H](CO)C1 ZINC000912742787 657335237 /nfs/dbraw/zinc/33/52/37/657335237.db2.gz IICZSFMTGZMNNT-NEPJUHHUSA-N 2 2 255.362 -0.394 20 0 CBADLP C[NH+]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)[C@@H](CO)C1 ZINC000912742787 657335238 /nfs/dbraw/zinc/33/52/38/657335238.db2.gz IICZSFMTGZMNNT-NEPJUHHUSA-N 2 2 255.362 -0.394 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH+]3CCC3)C2)C1 ZINC000912916154 657359498 /nfs/dbraw/zinc/35/94/98/657359498.db2.gz UPDAFCFTNMPRJM-VXGBXAGGSA-N 2 2 253.346 -0.376 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH+]3CCC3)C2)C1 ZINC000912916154 657359505 /nfs/dbraw/zinc/35/95/05/657359505.db2.gz UPDAFCFTNMPRJM-VXGBXAGGSA-N 2 2 253.346 -0.376 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)NC(C)(C)CC[NH+]2CCOCC2)C1 ZINC000912951994 657360927 /nfs/dbraw/zinc/36/09/27/657360927.db2.gz GRCJUDQVKIRSCP-ZDUSSCGKSA-N 2 2 299.415 -0.066 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)NC(C)(C)CC[NH+]2CCOCC2)C1 ZINC000912951994 657360929 /nfs/dbraw/zinc/36/09/29/657360929.db2.gz GRCJUDQVKIRSCP-ZDUSSCGKSA-N 2 2 299.415 -0.066 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001014456243 657361360 /nfs/dbraw/zinc/36/13/60/657361360.db2.gz NSYTUBPYMWBYKZ-CHWSQXEVSA-N 2 2 294.399 -0.735 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001014456243 657361367 /nfs/dbraw/zinc/36/13/67/657361367.db2.gz NSYTUBPYMWBYKZ-CHWSQXEVSA-N 2 2 294.399 -0.735 20 0 CBADLP O=C(N[C@@H]1CC[N@@H+](CCO)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC001014989319 657394540 /nfs/dbraw/zinc/39/45/40/657394540.db2.gz GVWHENMCBJELLS-NWDGAFQWSA-N 2 2 278.356 -0.372 20 0 CBADLP O=C(N[C@@H]1CC[N@H+](CCO)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC001014989319 657394541 /nfs/dbraw/zinc/39/45/41/657394541.db2.gz GVWHENMCBJELLS-NWDGAFQWSA-N 2 2 278.356 -0.372 20 0 CBADLP CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC000913183701 657405673 /nfs/dbraw/zinc/40/56/73/657405673.db2.gz KAHVVFKVWSLKED-BXUZGUMPSA-N 2 2 285.388 -0.674 20 0 CBADLP CC(C)(C)[N@H+]1CC[C@@H]1C(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC000913183701 657405674 /nfs/dbraw/zinc/40/56/74/657405674.db2.gz KAHVVFKVWSLKED-BXUZGUMPSA-N 2 2 285.388 -0.674 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001015288838 657427794 /nfs/dbraw/zinc/42/77/94/657427794.db2.gz GPKBHVWLTAJQGC-NEPJUHHUSA-N 2 2 293.371 -0.483 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001015288838 657427810 /nfs/dbraw/zinc/42/78/10/657427810.db2.gz GPKBHVWLTAJQGC-NEPJUHHUSA-N 2 2 293.371 -0.483 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C)C1 ZINC001015293514 657432166 /nfs/dbraw/zinc/43/21/66/657432166.db2.gz JGNUVJJGHHUJAI-LBPRGKRZSA-N 2 2 293.371 -0.530 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](CC(=O)N(C)C)C1 ZINC001015293514 657432173 /nfs/dbraw/zinc/43/21/73/657432173.db2.gz JGNUVJJGHHUJAI-LBPRGKRZSA-N 2 2 293.371 -0.530 20 0 CBADLP C/C(=C\C(=O)NCC[N@@H+]1CC[C@H](O)C1)C[NH+]1CCOCC1 ZINC000913352385 657444590 /nfs/dbraw/zinc/44/45/90/657444590.db2.gz TXIBKNXXBRQWTI-UELRPHRMSA-N 2 2 297.399 -0.552 20 0 CBADLP C/C(=C\C(=O)NCC[N@H+]1CC[C@H](O)C1)C[NH+]1CCOCC1 ZINC000913352385 657444596 /nfs/dbraw/zinc/44/45/96/657444596.db2.gz TXIBKNXXBRQWTI-UELRPHRMSA-N 2 2 297.399 -0.552 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001015497113 657448247 /nfs/dbraw/zinc/44/82/47/657448247.db2.gz AIGIHGSTZRGRCI-NEPJUHHUSA-N 2 2 296.415 -0.075 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001015497113 657448255 /nfs/dbraw/zinc/44/82/55/657448255.db2.gz AIGIHGSTZRGRCI-NEPJUHHUSA-N 2 2 296.415 -0.075 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001015605254 657472908 /nfs/dbraw/zinc/47/29/08/657472908.db2.gz JZARQDBHVKPRGZ-RWMBFGLXSA-N 2 2 296.415 -0.347 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001015605254 657472920 /nfs/dbraw/zinc/47/29/20/657472920.db2.gz JZARQDBHVKPRGZ-RWMBFGLXSA-N 2 2 296.415 -0.347 20 0 CBADLP CNC(=O)C[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001015605254 657472928 /nfs/dbraw/zinc/47/29/28/657472928.db2.gz JZARQDBHVKPRGZ-RWMBFGLXSA-N 2 2 296.415 -0.347 20 0 CBADLP CNC(=O)C[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001015605254 657472935 /nfs/dbraw/zinc/47/29/35/657472935.db2.gz JZARQDBHVKPRGZ-RWMBFGLXSA-N 2 2 296.415 -0.347 20 0 CBADLP CN(C[C@H]1C[N@H+](C)CCO1)C(=O)C[C@]1(O)CCC[NH+](C)C1 ZINC000913508154 657481886 /nfs/dbraw/zinc/48/18/86/657481886.db2.gz WMHVWKOKSBIATC-UKRRQHHQSA-N 2 2 299.415 -0.378 20 0 CBADLP CN(C[C@H]1C[N@@H+](C)CCO1)C(=O)C[C@]1(O)CCC[NH+](C)C1 ZINC000913508154 657481894 /nfs/dbraw/zinc/48/18/94/657481894.db2.gz WMHVWKOKSBIATC-UKRRQHHQSA-N 2 2 299.415 -0.378 20 0 CBADLP CN(C[C@H]1C[NH+](C)CCO1)C(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000913508154 657481902 /nfs/dbraw/zinc/48/19/02/657481902.db2.gz WMHVWKOKSBIATC-UKRRQHHQSA-N 2 2 299.415 -0.378 20 0 CBADLP CN(C[C@H]1C[NH+](C)CCO1)C(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000913508154 657481913 /nfs/dbraw/zinc/48/19/13/657481913.db2.gz WMHVWKOKSBIATC-UKRRQHHQSA-N 2 2 299.415 -0.378 20 0 CBADLP C[C@@H]1[C@H](C(=O)N2CC[NH+](C)[C@H](CO)C2)CC[N@@H+]1C ZINC000913541202 657498592 /nfs/dbraw/zinc/49/85/92/657498592.db2.gz HOYVWRHIIDTGKC-GRYCIOLGSA-N 2 2 255.362 -0.539 20 0 CBADLP C[C@@H]1[C@H](C(=O)N2CC[NH+](C)[C@H](CO)C2)CC[N@H+]1C ZINC000913541202 657498605 /nfs/dbraw/zinc/49/86/05/657498605.db2.gz HOYVWRHIIDTGKC-GRYCIOLGSA-N 2 2 255.362 -0.539 20 0 CBADLP C[C@@H]1[C@H](C(=O)N2CC[N@H+](C)[C@H](CO)C2)CC[NH+]1C ZINC000913541202 657498618 /nfs/dbraw/zinc/49/86/18/657498618.db2.gz HOYVWRHIIDTGKC-GRYCIOLGSA-N 2 2 255.362 -0.539 20 0 CBADLP C[C@@H]1[C@H](C(=O)N2CC[N@@H+](C)[C@H](CO)C2)CC[NH+]1C ZINC000913541202 657498630 /nfs/dbraw/zinc/49/86/30/657498630.db2.gz HOYVWRHIIDTGKC-GRYCIOLGSA-N 2 2 255.362 -0.539 20 0 CBADLP CCC[C@H](C(=O)N1CC[N@H+](C)[C@@H](CO)C1)[NH+](C)C ZINC000913547623 657527837 /nfs/dbraw/zinc/52/78/37/657527837.db2.gz SHCBDMZJJQBIIH-VXGBXAGGSA-N 2 2 257.378 -0.148 20 0 CBADLP CCC[C@H](C(=O)N1CC[N@@H+](C)[C@@H](CO)C1)[NH+](C)C ZINC000913547623 657527847 /nfs/dbraw/zinc/52/78/47/657527847.db2.gz SHCBDMZJJQBIIH-VXGBXAGGSA-N 2 2 257.378 -0.148 20 0 CBADLP C[N@H+](CC(=O)N1CC[NH+](C)[C@@H](CO)C1)[C@H]1CCSC1 ZINC000913547855 657528429 /nfs/dbraw/zinc/52/84/29/657528429.db2.gz XZPRNXBQYWKUJU-NWDGAFQWSA-N 2 2 287.429 -0.441 20 0 CBADLP C[N@@H+](CC(=O)N1CC[NH+](C)[C@@H](CO)C1)[C@H]1CCSC1 ZINC000913547855 657528435 /nfs/dbraw/zinc/52/84/35/657528435.db2.gz XZPRNXBQYWKUJU-NWDGAFQWSA-N 2 2 287.429 -0.441 20 0 CBADLP C[NH+](CC(=O)N1CC[N@H+](C)[C@@H](CO)C1)[C@H]1CCSC1 ZINC000913547855 657528441 /nfs/dbraw/zinc/52/84/41/657528441.db2.gz XZPRNXBQYWKUJU-NWDGAFQWSA-N 2 2 287.429 -0.441 20 0 CBADLP C[NH+](CC(=O)N1CC[N@@H+](C)[C@@H](CO)C1)[C@H]1CCSC1 ZINC000913547855 657528447 /nfs/dbraw/zinc/52/84/47/657528447.db2.gz XZPRNXBQYWKUJU-NWDGAFQWSA-N 2 2 287.429 -0.441 20 0 CBADLP C[NH+]1CCCC[C@H]1C(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000913549210 657534692 /nfs/dbraw/zinc/53/46/92/657534692.db2.gz XUWKTWIATOQZBL-RYUDHWBXSA-N 2 2 255.362 -0.394 20 0 CBADLP C[NH+]1CCCC[C@H]1C(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000913549210 657534707 /nfs/dbraw/zinc/53/47/07/657534707.db2.gz XUWKTWIATOQZBL-RYUDHWBXSA-N 2 2 255.362 -0.394 20 0 CBADLP C[NH+]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1CO ZINC000913549210 657534723 /nfs/dbraw/zinc/53/47/23/657534723.db2.gz XUWKTWIATOQZBL-RYUDHWBXSA-N 2 2 255.362 -0.394 20 0 CBADLP C[NH+]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1CO ZINC000913549210 657534738 /nfs/dbraw/zinc/53/47/38/657534738.db2.gz XUWKTWIATOQZBL-RYUDHWBXSA-N 2 2 255.362 -0.394 20 0 CBADLP CC(C)[C@H](C(=O)N1CC[N@H+](C)[C@H](CO)C1)[NH+](C)C ZINC000913548341 657534832 /nfs/dbraw/zinc/53/48/32/657534832.db2.gz KKYDMNKTOPRTKG-NWDGAFQWSA-N 2 2 257.378 -0.293 20 0 CBADLP CC(C)[C@H](C(=O)N1CC[N@@H+](C)[C@H](CO)C1)[NH+](C)C ZINC000913548341 657534835 /nfs/dbraw/zinc/53/48/35/657534835.db2.gz KKYDMNKTOPRTKG-NWDGAFQWSA-N 2 2 257.378 -0.293 20 0 CBADLP O=C(/C=C/C[NH+]1CCOCC1)NC12CC[NH+](CC1)C2 ZINC000913634516 657569097 /nfs/dbraw/zinc/56/90/97/657569097.db2.gz SKRIYEQLFFFXIE-OWOJBTEDSA-N 2 2 265.357 -0.161 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC23CC[NH+](CC2)C3)O1 ZINC000913636420 657572688 /nfs/dbraw/zinc/57/26/88/657572688.db2.gz FUUNJUVQDKFOPC-GHMZBOCLSA-N 2 2 253.346 -0.330 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC23CC[NH+](CC2)C3)O1 ZINC000913636420 657572700 /nfs/dbraw/zinc/57/27/00/657572700.db2.gz FUUNJUVQDKFOPC-GHMZBOCLSA-N 2 2 253.346 -0.330 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@@H](C(=O)NC23CC[NH+](CC2)C3)O1 ZINC000913636421 657573907 /nfs/dbraw/zinc/57/39/07/657573907.db2.gz FUUNJUVQDKFOPC-MNOVXSKESA-N 2 2 253.346 -0.330 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@@H](C(=O)NC23CC[NH+](CC2)C3)O1 ZINC000913636421 657573938 /nfs/dbraw/zinc/57/39/38/657573938.db2.gz FUUNJUVQDKFOPC-MNOVXSKESA-N 2 2 253.346 -0.330 20 0 CBADLP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001015998257 657627486 /nfs/dbraw/zinc/62/74/86/657627486.db2.gz NCRJVIPEYJIHAY-MNOVXSKESA-N 2 2 268.361 -0.996 20 0 CBADLP C[N@H+]1CC[C@H](CC(=O)N[C@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001015998257 657627495 /nfs/dbraw/zinc/62/74/95/657627495.db2.gz NCRJVIPEYJIHAY-MNOVXSKESA-N 2 2 268.361 -0.996 20 0 CBADLP C[NH+]1CC[C@H](CC(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)C1 ZINC001015998257 657627506 /nfs/dbraw/zinc/62/75/06/657627506.db2.gz NCRJVIPEYJIHAY-MNOVXSKESA-N 2 2 268.361 -0.996 20 0 CBADLP C[NH+]1CC[C@H](CC(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)C1 ZINC001015998257 657627514 /nfs/dbraw/zinc/62/75/14/657627514.db2.gz NCRJVIPEYJIHAY-MNOVXSKESA-N 2 2 268.361 -0.996 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[N@H+](CCO)C1 ZINC001016002510 657628537 /nfs/dbraw/zinc/62/85/37/657628537.db2.gz VOLZLSMSVZPOJG-SNVBAGLBSA-N 2 2 252.318 -0.855 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[N@@H+](CCO)C1 ZINC001016002510 657628542 /nfs/dbraw/zinc/62/85/42/657628542.db2.gz VOLZLSMSVZPOJG-SNVBAGLBSA-N 2 2 252.318 -0.855 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[N@H+](CCCO)C1 ZINC001016001247 657629011 /nfs/dbraw/zinc/62/90/11/657629011.db2.gz JPOWDNNUKISDJS-NSHDSACASA-N 2 2 266.345 -0.465 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[N@@H+](CCCO)C1 ZINC001016001247 657629017 /nfs/dbraw/zinc/62/90/17/657629017.db2.gz JPOWDNNUKISDJS-NSHDSACASA-N 2 2 266.345 -0.465 20 0 CBADLP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@@H+]2C)CC1 ZINC000914116581 657658790 /nfs/dbraw/zinc/65/87/90/657658790.db2.gz SDYAIQVSDCYUJP-LBPRGKRZSA-N 2 2 297.403 -0.800 20 0 CBADLP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@H+]2C)CC1 ZINC000914116581 657658794 /nfs/dbraw/zinc/65/87/94/657658794.db2.gz SDYAIQVSDCYUJP-LBPRGKRZSA-N 2 2 297.403 -0.800 20 0 CBADLP O=C(C[NH+]1CCCC1)N[C@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001016250787 657669598 /nfs/dbraw/zinc/66/95/98/657669598.db2.gz GYNFEZJTPQBGBJ-ZDUSSCGKSA-N 2 2 294.399 -0.449 20 0 CBADLP O=C(C[NH+]1CCCC1)N[C@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001016250787 657669613 /nfs/dbraw/zinc/66/96/13/657669613.db2.gz GYNFEZJTPQBGBJ-ZDUSSCGKSA-N 2 2 294.399 -0.449 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001016250139 657669873 /nfs/dbraw/zinc/66/98/73/657669873.db2.gz ANTXHMQFWBTSCD-QWRGUYRKSA-N 2 2 268.361 -0.854 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001016250139 657669886 /nfs/dbraw/zinc/66/98/86/657669886.db2.gz ANTXHMQFWBTSCD-QWRGUYRKSA-N 2 2 268.361 -0.854 20 0 CBADLP O=C(C[NH+]1CCCC1)N[C@@H]1CC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC001016251722 657670282 /nfs/dbraw/zinc/67/02/82/657670282.db2.gz NKGUWINJSYTLSY-OLZOCXBDSA-N 2 2 294.399 -0.449 20 0 CBADLP O=C(C[NH+]1CCCC1)N[C@@H]1CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001016251722 657670287 /nfs/dbraw/zinc/67/02/87/657670287.db2.gz NKGUWINJSYTLSY-OLZOCXBDSA-N 2 2 294.399 -0.449 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001016250138 657670792 /nfs/dbraw/zinc/67/07/92/657670792.db2.gz ANTXHMQFWBTSCD-MNOVXSKESA-N 2 2 268.361 -0.854 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001016250138 657670793 /nfs/dbraw/zinc/67/07/93/657670793.db2.gz ANTXHMQFWBTSCD-MNOVXSKESA-N 2 2 268.361 -0.854 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001016251795 657671318 /nfs/dbraw/zinc/67/13/18/657671318.db2.gz OJFRWCATXQNPCH-NSHDSACASA-N 2 2 268.361 -0.981 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001016251795 657671334 /nfs/dbraw/zinc/67/13/34/657671334.db2.gz OJFRWCATXQNPCH-NSHDSACASA-N 2 2 268.361 -0.981 20 0 CBADLP O=C(C[NH+]1CCCC1)N[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001016250449 657672042 /nfs/dbraw/zinc/67/20/42/657672042.db2.gz CARYZVNMMKXCLZ-VXGBXAGGSA-N 2 2 280.372 -0.839 20 0 CBADLP O=C(C[NH+]1CCCC1)N[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001016250449 657672046 /nfs/dbraw/zinc/67/20/46/657672046.db2.gz CARYZVNMMKXCLZ-VXGBXAGGSA-N 2 2 280.372 -0.839 20 0 CBADLP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](CC(=O)NC3CC3)C2)C1 ZINC001016253444 657672094 /nfs/dbraw/zinc/67/20/94/657672094.db2.gz GAZXKKBAAPNGJN-AAEUAGOBSA-N 2 2 294.399 -0.593 20 0 CBADLP C[N@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](CC(=O)NC3CC3)C2)C1 ZINC001016253444 657672100 /nfs/dbraw/zinc/67/21/00/657672100.db2.gz GAZXKKBAAPNGJN-AAEUAGOBSA-N 2 2 294.399 -0.593 20 0 CBADLP C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@H+](CC(=O)NC3CC3)C2)C1 ZINC001016253444 657672103 /nfs/dbraw/zinc/67/21/03/657672103.db2.gz GAZXKKBAAPNGJN-AAEUAGOBSA-N 2 2 294.399 -0.593 20 0 CBADLP C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@@H+](CC(=O)NC3CC3)C2)C1 ZINC001016253444 657672106 /nfs/dbraw/zinc/67/21/06/657672106.db2.gz GAZXKKBAAPNGJN-AAEUAGOBSA-N 2 2 294.399 -0.593 20 0 CBADLP C[C@H]([NH2+][C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1)C(N)=O ZINC001018950048 657854993 /nfs/dbraw/zinc/85/49/93/657854993.db2.gz VLFKZAHDQVUOPN-ONGXEEELSA-N 2 2 279.344 -0.593 20 0 CBADLP C[C@H]([NH2+][C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1)C(N)=O ZINC001018950048 657854995 /nfs/dbraw/zinc/85/49/95/657854995.db2.gz VLFKZAHDQVUOPN-ONGXEEELSA-N 2 2 279.344 -0.593 20 0 CBADLP NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001019060795 657861683 /nfs/dbraw/zinc/86/16/83/657861683.db2.gz GUBOZKXHHPUSCU-MNOVXSKESA-N 2 2 291.355 -0.879 20 0 CBADLP C[C@@H](O)C[NH2+][C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001019181698 657869297 /nfs/dbraw/zinc/86/92/97/657869297.db2.gz SESGXQNCPXQPAB-NEPJUHHUSA-N 2 2 280.372 -0.076 20 0 CBADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H]([NH2+]CC(N)=O)C1 ZINC001019492544 657899349 /nfs/dbraw/zinc/89/93/49/657899349.db2.gz WOXXDMICOLEHIR-UWVGGRQHSA-N 2 2 279.344 -0.736 20 0 CBADLP C[C@H]([NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1)C(N)=O ZINC001019566115 657913222 /nfs/dbraw/zinc/91/32/22/657913222.db2.gz SGDFDIGJMYEORR-IUCAKERBSA-N 2 2 265.317 -0.984 20 0 CBADLP CC(C)(C(=O)N1CC[C@H]([NH2+]CC(N)=O)C1)c1c[nH+]c[nH]1 ZINC001019656786 657926832 /nfs/dbraw/zinc/92/68/32/657926832.db2.gz YROZCYZOJJHDSO-VIFPVBQESA-N 2 2 279.344 -0.637 20 0 CBADLP CC[C@@H]([NH2+][C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1)C(N)=O ZINC001019708516 657930841 /nfs/dbraw/zinc/93/08/41/657930841.db2.gz LBMWYCXIMAWKKK-WDEREUQCSA-N 2 2 293.371 -0.285 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001019707833 657931007 /nfs/dbraw/zinc/93/10/07/657931007.db2.gz YGTUMPNKMOGBEZ-ZJUUUORDSA-N 2 2 279.344 -0.675 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]([NH2+]CCO)C1 ZINC001019708531 657931463 /nfs/dbraw/zinc/93/14/63/657931463.db2.gz MECIZPILYFBEMZ-JTQLQIEISA-N 2 2 252.318 -0.557 20 0 CBADLP O=C([C@H](C1CC1)[NH+]1CCOCC1)N1CC[C@H]([NH2+]CCO)C1 ZINC001019800616 657943075 /nfs/dbraw/zinc/94/30/75/657943075.db2.gz RJJMSIUMSUFRDI-KBPBESRZSA-N 2 2 297.399 -0.720 20 0 CBADLP O=C([C@@H](C1CC1)[NH+]1CCOCC1)N1CC[C@H]([NH2+]CCO)C1 ZINC001019800617 657944769 /nfs/dbraw/zinc/94/47/69/657944769.db2.gz RJJMSIUMSUFRDI-UONOGXRCSA-N 2 2 297.399 -0.720 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3cnon3)C2)C1 ZINC001020045840 657997617 /nfs/dbraw/zinc/99/76/17/657997617.db2.gz NGHFRTMNHBQSFL-CKYFFXLPSA-N 2 2 295.343 -0.863 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3cnon3)C2)C1 ZINC001020045840 657997626 /nfs/dbraw/zinc/99/76/26/657997626.db2.gz NGHFRTMNHBQSFL-CKYFFXLPSA-N 2 2 295.343 -0.863 20 0 CBADLP C[NH+](C)Cc1cc(C(=O)N[C@H]2C[C@H]([NH2+]CC(N)=O)C2)no1 ZINC001020333361 658038403 /nfs/dbraw/zinc/03/84/03/658038403.db2.gz USNSNCNLECZRJS-KYZUINATSA-N 2 2 295.343 -0.928 20 0 CBADLP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@]1(CO)COCCN1C ZINC000922531637 658053579 /nfs/dbraw/zinc/05/35/79/658053579.db2.gz AUZYOJOMMZCWRP-OAHLLOKOSA-N 2 2 294.399 -0.070 20 0 CBADLP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1)C(N)=O ZINC001020635456 658081186 /nfs/dbraw/zinc/08/11/86/658081186.db2.gz YCEPLJMEPNQATR-CIUDSAMLSA-N 2 2 265.317 -0.937 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@H]([NH2+]CCn2cncn2)C1 ZINC001020819378 658095845 /nfs/dbraw/zinc/09/58/45/658095845.db2.gz WCPCQRJFFSFWTJ-XYPYZODXSA-N 2 2 289.343 -0.519 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001020930405 658118872 /nfs/dbraw/zinc/11/88/72/658118872.db2.gz RKAOPRHSUPUKDR-NHCYSSNCSA-N 2 2 291.355 -0.912 20 0 CBADLP CN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)Cn3cc[nH+]c3)C2)C1=O ZINC001021128702 658154275 /nfs/dbraw/zinc/15/42/75/658154275.db2.gz PQQQLMPVZKWIAQ-SRVKXCTJSA-N 2 2 291.355 -0.649 20 0 CBADLP Cn1ncc(C[NH2+][C@H]2C[C@H](NC(=O)Cn3cc[nH+]c3)C2)n1 ZINC001021126656 658154688 /nfs/dbraw/zinc/15/46/88/658154688.db2.gz UHBXOQHIHSZFHK-XYPYZODXSA-N 2 2 289.343 -0.551 20 0 CBADLP [NH3+][C@@H]1CCC[N@H+](C[C@@H](O)COC[C@H]2CCCO2)C1 ZINC000923282505 658187433 /nfs/dbraw/zinc/18/74/33/658187433.db2.gz STOWHEYKZFIKJF-JHJVBQTASA-N 2 2 258.362 -0.034 20 0 CBADLP [NH3+][C@@H]1CCC[N@@H+](C[C@@H](O)COC[C@H]2CCCO2)C1 ZINC000923282505 658187488 /nfs/dbraw/zinc/18/74/88/658187488.db2.gz STOWHEYKZFIKJF-JHJVBQTASA-N 2 2 258.362 -0.034 20 0 CBADLP [NH3+][C@@H]1CCC[N@H+](C[C@H](O)COC[C@@H]2CCCO2)C1 ZINC000923282501 658189562 /nfs/dbraw/zinc/18/95/62/658189562.db2.gz STOWHEYKZFIKJF-AGIUHOORSA-N 2 2 258.362 -0.034 20 0 CBADLP [NH3+][C@@H]1CCC[N@@H+](C[C@H](O)COC[C@@H]2CCCO2)C1 ZINC000923282501 658189593 /nfs/dbraw/zinc/18/95/93/658189593.db2.gz STOWHEYKZFIKJF-AGIUHOORSA-N 2 2 258.362 -0.034 20 0 CBADLP [NH3+]C[C@@H]1CCC[N@@H+]1C[C@H](O)COC1CCOCC1 ZINC000923292950 658194990 /nfs/dbraw/zinc/19/49/90/658194990.db2.gz LQKVWTCXCBLKLP-RYUDHWBXSA-N 2 2 258.362 -0.034 20 0 CBADLP [NH3+]C[C@@H]1CCC[N@H+]1C[C@H](O)COC1CCOCC1 ZINC000923292950 658195001 /nfs/dbraw/zinc/19/50/01/658195001.db2.gz LQKVWTCXCBLKLP-RYUDHWBXSA-N 2 2 258.362 -0.034 20 0 CBADLP [NH3+]C[C@@H]1CCC[N@@H+]1C[C@H](O)COC[C@H]1CCCO1 ZINC000923291613 658195910 /nfs/dbraw/zinc/19/59/10/658195910.db2.gz DRVRNLICTDMSKX-RWMBFGLXSA-N 2 2 258.362 -0.034 20 0 CBADLP [NH3+]C[C@@H]1CCC[N@H+]1C[C@H](O)COC[C@H]1CCCO1 ZINC000923291613 658195934 /nfs/dbraw/zinc/19/59/34/658195934.db2.gz DRVRNLICTDMSKX-RWMBFGLXSA-N 2 2 258.362 -0.034 20 0 CBADLP Cn1cc(N2CC[NH+]([C@H]3C[C@H]([NH3+])C[C@@H]3O)CC2)cn1 ZINC000923324918 658209508 /nfs/dbraw/zinc/20/95/08/658209508.db2.gz NLGZLDSWEJTIBL-DRZSPHRISA-N 2 2 265.361 -0.607 20 0 CBADLP [NH3+][C@@H]1C[C@H](O)[C@@H]([NH+]2CCN(c3cnccn3)CC2)C1 ZINC000923322612 658213032 /nfs/dbraw/zinc/21/30/32/658213032.db2.gz YJUNEUZZQZMSFO-SRVKXCTJSA-N 2 2 263.345 -0.551 20 0 CBADLP CSC[C@@H](O)C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000923334314 658219765 /nfs/dbraw/zinc/21/97/65/658219765.db2.gz WGJGEFFTJUIMRJ-RYUDHWBXSA-N 2 2 287.429 -0.394 20 0 CBADLP CSC[C@@H](O)C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000923334314 658219770 /nfs/dbraw/zinc/21/97/70/658219770.db2.gz WGJGEFFTJUIMRJ-RYUDHWBXSA-N 2 2 287.429 -0.394 20 0 CBADLP CSC[C@H](O)C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000923334317 658221117 /nfs/dbraw/zinc/22/11/17/658221117.db2.gz WGJGEFFTJUIMRJ-VXGBXAGGSA-N 2 2 287.429 -0.394 20 0 CBADLP CSC[C@H](O)C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000923334317 658221127 /nfs/dbraw/zinc/22/11/27/658221127.db2.gz WGJGEFFTJUIMRJ-VXGBXAGGSA-N 2 2 287.429 -0.394 20 0 CBADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1C[C@H](O)COC[C@H]1CCCO1 ZINC000923368213 658233559 /nfs/dbraw/zinc/23/35/59/658233559.db2.gz NVLKTRLGMXXABZ-RVMXOQNASA-N 2 2 258.362 -0.036 20 0 CBADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1C[C@H](O)COC[C@H]1CCCO1 ZINC000923368213 658233609 /nfs/dbraw/zinc/23/36/09/658233609.db2.gz NVLKTRLGMXXABZ-RVMXOQNASA-N 2 2 258.362 -0.036 20 0 CBADLP [NH3+]CC[N@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C[C@H](O)CO ZINC000923386559 658248976 /nfs/dbraw/zinc/24/89/76/658248976.db2.gz HHTHGWNUYZEXNT-GSPSYOTPSA-N 3 2 271.405 -0.479 20 0 CBADLP [NH3+]CC[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C[C@H](O)CO ZINC000923386559 658248984 /nfs/dbraw/zinc/24/89/84/658248984.db2.gz HHTHGWNUYZEXNT-GSPSYOTPSA-N 3 2 271.405 -0.479 20 0 CBADLP CN1CC(=O)N(CC[NH2+][C@H]2CC[NH2+]C23CCC3)C1=O ZINC000923397775 658252842 /nfs/dbraw/zinc/25/28/42/658252842.db2.gz DVBFCIJEMAKRKS-JTQLQIEISA-N 2 2 266.345 -0.245 20 0 CBADLP CO[C@@H]1C[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)[C@@](C)(C[NH3+])C1 ZINC000923410700 658262944 /nfs/dbraw/zinc/26/29/44/658262944.db2.gz IHQGWXOUWXFVAB-RWMBFGLXSA-N 3 2 269.389 -0.197 20 0 CBADLP CO[C@@H]1C[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)[C@@](C)(C[NH3+])C1 ZINC000923410700 658262957 /nfs/dbraw/zinc/26/29/57/658262957.db2.gz IHQGWXOUWXFVAB-RWMBFGLXSA-N 3 2 269.389 -0.197 20 0 CBADLP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@H+](CCC[NH2+]C2CC2)C1 ZINC000923416756 658269917 /nfs/dbraw/zinc/26/99/17/658269917.db2.gz ZBMUCBGKCZHBFU-HZSPNIEDSA-N 3 2 294.399 -0.005 20 0 CBADLP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000923416756 658269935 /nfs/dbraw/zinc/26/99/35/658269935.db2.gz ZBMUCBGKCZHBFU-HZSPNIEDSA-N 3 2 294.399 -0.005 20 0 CBADLP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@H+](CCC[NH2+]C2CC2)C1 ZINC000923416757 658272124 /nfs/dbraw/zinc/27/21/24/658272124.db2.gz ZBMUCBGKCZHBFU-MELADBBJSA-N 3 2 294.399 -0.005 20 0 CBADLP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000923416757 658272132 /nfs/dbraw/zinc/27/21/32/658272132.db2.gz ZBMUCBGKCZHBFU-MELADBBJSA-N 3 2 294.399 -0.005 20 0 CBADLP CN1CC(=O)N(CC[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)C1=O ZINC000923424589 658274875 /nfs/dbraw/zinc/27/48/75/658274875.db2.gz GSKXHMDTBGNECK-GXFFZTMASA-N 2 2 266.345 -0.578 20 0 CBADLP CN1CC(=O)N(CC[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)C1=O ZINC000923424589 658274884 /nfs/dbraw/zinc/27/48/84/658274884.db2.gz GSKXHMDTBGNECK-GXFFZTMASA-N 2 2 266.345 -0.578 20 0 CBADLP CC(C)OCC[C@H](O)C[N@@H+]1CCC[C@@]([NH3+])(CO)C1 ZINC000923472005 658297843 /nfs/dbraw/zinc/29/78/43/658297843.db2.gz MIRFXKNRSDBFBG-STQMWFEESA-N 2 2 260.378 -0.052 20 0 CBADLP CC(C)OCC[C@H](O)C[N@H+]1CCC[C@@]([NH3+])(CO)C1 ZINC000923472005 658297878 /nfs/dbraw/zinc/29/78/78/658297878.db2.gz MIRFXKNRSDBFBG-STQMWFEESA-N 2 2 260.378 -0.052 20 0 CBADLP [NH3+][C@]1(CO)CCC[N@H+](CCC(=O)N2CCOCC2)C1 ZINC000923475955 658301004 /nfs/dbraw/zinc/30/10/04/658301004.db2.gz BUKMQQSSLQYECT-CYBMUJFWSA-N 2 2 271.361 -0.979 20 0 CBADLP [NH3+][C@]1(CO)CCC[N@@H+](CCC(=O)N2CCOCC2)C1 ZINC000923475955 658301018 /nfs/dbraw/zinc/30/10/18/658301018.db2.gz BUKMQQSSLQYECT-CYBMUJFWSA-N 2 2 271.361 -0.979 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923491490 658308291 /nfs/dbraw/zinc/30/82/91/658308291.db2.gz IERXAUYEFCFYLF-IHRRRGAJSA-N 3 2 273.421 -0.158 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923491490 658308302 /nfs/dbraw/zinc/30/83/02/658308302.db2.gz IERXAUYEFCFYLF-IHRRRGAJSA-N 3 2 273.421 -0.158 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923491490 658308314 /nfs/dbraw/zinc/30/83/14/658308314.db2.gz IERXAUYEFCFYLF-IHRRRGAJSA-N 3 2 273.421 -0.158 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923491490 658308327 /nfs/dbraw/zinc/30/83/27/658308327.db2.gz IERXAUYEFCFYLF-IHRRRGAJSA-N 3 2 273.421 -0.158 20 0 CBADLP C[C@H]1CN(C(=O)C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)CCO1 ZINC000923518443 658312866 /nfs/dbraw/zinc/31/28/66/658312866.db2.gz GPQOMHXKQQXOIH-RWMBFGLXSA-N 2 2 267.373 -0.225 20 0 CBADLP C[C@H]1CN(C(=O)C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)CCO1 ZINC000923518443 658312883 /nfs/dbraw/zinc/31/28/83/658312883.db2.gz GPQOMHXKQQXOIH-RWMBFGLXSA-N 2 2 267.373 -0.225 20 0 CBADLP C[C@H]1C[NH+](CCCNS(=O)(=O)C2C[NH2+]C2)C[C@H](C)O1 ZINC000923584798 658340457 /nfs/dbraw/zinc/34/04/57/658340457.db2.gz XMNZUPYEQTUUIH-QWRGUYRKSA-N 2 2 291.417 -0.623 20 0 CBADLP O=S(=O)(C1C[NH2+]C1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000923626554 658360579 /nfs/dbraw/zinc/36/05/79/658360579.db2.gz VZCLLPCSHCYWEA-SECBINFHSA-N 2 2 270.358 -0.109 20 0 CBADLP C[C@H]1CCCN1S(=O)(=O)N1CC[NH2+]CC[NH2+]CC1 ZINC000923692669 658399955 /nfs/dbraw/zinc/39/99/55/658399955.db2.gz RYZYVMPSYQKCTF-NSHDSACASA-N 2 2 276.406 -0.790 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N1CC[NH+](CCCO)CC1 ZINC000957663686 658484286 /nfs/dbraw/zinc/48/42/86/658484286.db2.gz WAPQDOAJTKMADX-UHFFFAOYSA-N 2 2 266.345 -0.282 20 0 CBADLP COCC[N@H+](C)CCC[NH2+][C@@H]1C(=O)NCC12CCOCC2 ZINC000924654951 658628898 /nfs/dbraw/zinc/62/88/98/658628898.db2.gz XIBMYSVHSIAFLO-CYBMUJFWSA-N 2 2 299.415 -0.161 20 0 CBADLP COCC[N@@H+](C)CCC[NH2+][C@@H]1C(=O)NCC12CCOCC2 ZINC000924654951 658628912 /nfs/dbraw/zinc/62/89/12/658628912.db2.gz XIBMYSVHSIAFLO-CYBMUJFWSA-N 2 2 299.415 -0.161 20 0 CBADLP CC1(C)CNC(=O)[C@@H]1[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000924754530 658636927 /nfs/dbraw/zinc/63/69/27/658636927.db2.gz GIPCKLPNFRUPIL-NEPJUHHUSA-N 2 2 269.389 -0.053 20 0 CBADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)C(C)(C)CO ZINC000924842388 658645228 /nfs/dbraw/zinc/64/52/28/658645228.db2.gz SEJFWPLRAQRUBR-NSHDSACASA-N 2 2 257.378 -0.243 20 0 CBADLP C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1cnn(C)n1 ZINC000924946424 658668560 /nfs/dbraw/zinc/66/85/60/658668560.db2.gz SJFXERHXEPQGEQ-LLVKDONJSA-N 2 2 280.376 -0.370 20 0 CBADLP NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000960555541 658805012 /nfs/dbraw/zinc/80/50/12/658805012.db2.gz IQHUIKGGPVXYCU-MSRIBSCDSA-N 2 2 299.334 -0.292 20 0 CBADLP NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000960555541 658805019 /nfs/dbraw/zinc/80/50/19/658805019.db2.gz IQHUIKGGPVXYCU-MSRIBSCDSA-N 2 2 299.334 -0.292 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCF)C[C@H]32)O1 ZINC000960532282 658805096 /nfs/dbraw/zinc/80/50/96/658805096.db2.gz ZTUCVRMQVWXJDP-LBELIVKGSA-N 2 2 285.363 -0.279 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCF)C[C@H]32)O1 ZINC000960532282 658805102 /nfs/dbraw/zinc/80/51/02/658805102.db2.gz ZTUCVRMQVWXJDP-LBELIVKGSA-N 2 2 285.363 -0.279 20 0 CBADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CCF)C[C@H]32)O1 ZINC000960532282 658805106 /nfs/dbraw/zinc/80/51/06/658805106.db2.gz ZTUCVRMQVWXJDP-LBELIVKGSA-N 2 2 285.363 -0.279 20 0 CBADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCF)C[C@H]32)O1 ZINC000960532282 658805109 /nfs/dbraw/zinc/80/51/09/658805109.db2.gz ZTUCVRMQVWXJDP-LBELIVKGSA-N 2 2 285.363 -0.279 20 0 CBADLP O=C(N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21)[C@H]1CCc2[nH+]ccn2C1 ZINC000960645041 658805402 /nfs/dbraw/zinc/80/54/02/658805402.db2.gz NYBDBPKIQJTGHC-CIQGVGRVSA-N 2 2 290.367 -0.516 20 0 CBADLP O=C(N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21)[C@H]1CCc2[nH+]ccn2C1 ZINC000960645041 658805409 /nfs/dbraw/zinc/80/54/09/658805409.db2.gz NYBDBPKIQJTGHC-CIQGVGRVSA-N 2 2 290.367 -0.516 20 0 CBADLP O=C(N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21)[C@@H]1CCn2cc[nH+]c2C1 ZINC000960653728 658805652 /nfs/dbraw/zinc/80/56/52/658805652.db2.gz DSGUSXUNGACKHX-NMKXLXIOSA-N 2 2 290.367 -0.516 20 0 CBADLP O=C(N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21)[C@@H]1CCn2cc[nH+]c2C1 ZINC000960653728 658805656 /nfs/dbraw/zinc/80/56/56/658805656.db2.gz DSGUSXUNGACKHX-NMKXLXIOSA-N 2 2 290.367 -0.516 20 0 CBADLP C[N@@H+]1CCC[C@H]1CN1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000925290676 658815528 /nfs/dbraw/zinc/81/55/28/658815528.db2.gz FUPFLYGJZSINKC-QWRGUYRKSA-N 2 2 277.328 -0.033 20 0 CBADLP C[N@H+]1CCC[C@H]1CN1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000925290676 658815532 /nfs/dbraw/zinc/81/55/32/658815532.db2.gz FUPFLYGJZSINKC-QWRGUYRKSA-N 2 2 277.328 -0.033 20 0 CBADLP C[N@@H+]1CCC[C@H]1CN1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000925290676 658815537 /nfs/dbraw/zinc/81/55/37/658815537.db2.gz FUPFLYGJZSINKC-QWRGUYRKSA-N 2 2 277.328 -0.033 20 0 CBADLP C[N@H+]1CCC[C@H]1CN1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000925290676 658815542 /nfs/dbraw/zinc/81/55/42/658815542.db2.gz FUPFLYGJZSINKC-QWRGUYRKSA-N 2 2 277.328 -0.033 20 0 CBADLP C[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH]c[nH+]1 ZINC000961893573 658836886 /nfs/dbraw/zinc/83/68/86/658836886.db2.gz CDWVCIXQJCVZLT-GOONRYMUSA-N 2 2 264.329 -0.621 20 0 CBADLP C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH]c[nH+]1 ZINC000961893573 658836889 /nfs/dbraw/zinc/83/68/89/658836889.db2.gz CDWVCIXQJCVZLT-GOONRYMUSA-N 2 2 264.329 -0.621 20 0 CBADLP CN(C[C@@H]1C[N@H+](C)CCO1)C(=O)NC[C@H]1CC[NH+]1C ZINC000925429808 658848761 /nfs/dbraw/zinc/84/87/61/658848761.db2.gz QDPUXDHPGBIYKN-NEPJUHHUSA-N 2 2 270.377 -0.338 20 0 CBADLP CN(C[C@@H]1C[N@@H+](C)CCO1)C(=O)NC[C@H]1CC[NH+]1C ZINC000925429808 658848768 /nfs/dbraw/zinc/84/87/68/658848768.db2.gz QDPUXDHPGBIYKN-NEPJUHHUSA-N 2 2 270.377 -0.338 20 0 CBADLP CN(C[C@@H]1C[NH+](C)CCO1)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000925429808 658848772 /nfs/dbraw/zinc/84/87/72/658848772.db2.gz QDPUXDHPGBIYKN-NEPJUHHUSA-N 2 2 270.377 -0.338 20 0 CBADLP CN(C[C@@H]1C[NH+](C)CCO1)C(=O)NC[C@H]1CC[N@H+]1C ZINC000925429808 658848775 /nfs/dbraw/zinc/84/87/75/658848775.db2.gz QDPUXDHPGBIYKN-NEPJUHHUSA-N 2 2 270.377 -0.338 20 0 CBADLP C[C@@H]1CN(C(=O)NC[C@@H]2CC[NH+]2C)C[C@H](C)[N@H+]1CCO ZINC000925428655 658849302 /nfs/dbraw/zinc/84/93/02/658849302.db2.gz DDXJNEGLJLAPOR-XQQFMLRXSA-N 2 2 284.404 -0.213 20 0 CBADLP C[C@@H]1CN(C(=O)NC[C@@H]2CC[NH+]2C)C[C@H](C)[N@@H+]1CCO ZINC000925428655 658849316 /nfs/dbraw/zinc/84/93/16/658849316.db2.gz DDXJNEGLJLAPOR-XQQFMLRXSA-N 2 2 284.404 -0.213 20 0 CBADLP C[C@@H]1CN(C(=O)NC[C@@H]2CC[N@@H+]2C)C[C@H](C)[NH+]1CCO ZINC000925428655 658849318 /nfs/dbraw/zinc/84/93/18/658849318.db2.gz DDXJNEGLJLAPOR-XQQFMLRXSA-N 2 2 284.404 -0.213 20 0 CBADLP C[C@@H]1CN(C(=O)NC[C@@H]2CC[N@H+]2C)C[C@H](C)[NH+]1CCO ZINC000925428655 658849324 /nfs/dbraw/zinc/84/93/24/658849324.db2.gz DDXJNEGLJLAPOR-XQQFMLRXSA-N 2 2 284.404 -0.213 20 0 CBADLP C[N@@H+]1CC[C@H]1CNC(=O)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000925428440 658849804 /nfs/dbraw/zinc/84/98/04/658849804.db2.gz GDTSUFLGQWIORH-CMPLNLGQSA-N 2 2 268.361 -0.849 20 0 CBADLP C[N@H+]1CC[C@H]1CNC(=O)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000925428440 658849809 /nfs/dbraw/zinc/84/98/09/658849809.db2.gz GDTSUFLGQWIORH-CMPLNLGQSA-N 2 2 268.361 -0.849 20 0 CBADLP C[NH+]1CC[C@H]1CNC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000925428440 658849815 /nfs/dbraw/zinc/84/98/15/658849815.db2.gz GDTSUFLGQWIORH-CMPLNLGQSA-N 2 2 268.361 -0.849 20 0 CBADLP C[NH+]1CC[C@H]1CNC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000925428440 658849819 /nfs/dbraw/zinc/84/98/19/658849819.db2.gz GDTSUFLGQWIORH-CMPLNLGQSA-N 2 2 268.361 -0.849 20 0 CBADLP CN(C[C@H]1C[N@H+](C)CCO1)C(=O)NC[C@@H]1CC[NH+]1C ZINC000925429810 658849937 /nfs/dbraw/zinc/84/99/37/658849937.db2.gz QDPUXDHPGBIYKN-NWDGAFQWSA-N 2 2 270.377 -0.338 20 0 CBADLP CN(C[C@H]1C[N@@H+](C)CCO1)C(=O)NC[C@@H]1CC[NH+]1C ZINC000925429810 658849938 /nfs/dbraw/zinc/84/99/38/658849938.db2.gz QDPUXDHPGBIYKN-NWDGAFQWSA-N 2 2 270.377 -0.338 20 0 CBADLP CN(C[C@H]1C[NH+](C)CCO1)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000925429810 658849940 /nfs/dbraw/zinc/84/99/40/658849940.db2.gz QDPUXDHPGBIYKN-NWDGAFQWSA-N 2 2 270.377 -0.338 20 0 CBADLP CN(C[C@H]1C[NH+](C)CCO1)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000925429810 658849942 /nfs/dbraw/zinc/84/99/42/658849942.db2.gz QDPUXDHPGBIYKN-NWDGAFQWSA-N 2 2 270.377 -0.338 20 0 CBADLP CC(=O)N1CCN(CC[NH2+][C@H]2CC[NH2+]C2(C)C)CC1 ZINC000925545941 658857976 /nfs/dbraw/zinc/85/79/76/658857976.db2.gz DPLSDXMSONTFDS-ZDUSSCGKSA-N 2 2 268.405 -0.119 20 0 CBADLP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H]2CNCCOC2)CC1 ZINC000925546783 658858372 /nfs/dbraw/zinc/85/83/72/658858372.db2.gz KPTLNDBEKLUQCN-KBPBESRZSA-N 2 2 270.421 -0.410 20 0 CBADLP CC(C)[C@@H](CN[C@@H]1C[NH2+]CCOC1)[NH+]1CCOCC1 ZINC000925518054 658858396 /nfs/dbraw/zinc/85/83/96/658858396.db2.gz NQTYZBYFTBJENF-ZIAGYGMSSA-N 2 2 271.405 -0.079 20 0 CBADLP CNC(=O)C1CCC([NH2+][C@H]2C[NH2+]CCOC2)CC1 ZINC000925615960 658862570 /nfs/dbraw/zinc/86/25/70/658862570.db2.gz JRSLCNSTMWDVEZ-MCIGGMRASA-N 2 2 255.362 -0.131 20 0 CBADLP COCC1(C[NH2+][C@@H]2C[NH2+]CCOC2)CC[NH2+]CC1 ZINC000925701037 658867170 /nfs/dbraw/zinc/86/71/70/658867170.db2.gz UVHXHWLVWMRHKK-GFCCVEGCSA-N 3 2 257.378 -0.419 20 0 CBADLP COC(=O)CCNC(=O)CC[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925719735 658867722 /nfs/dbraw/zinc/86/77/22/658867722.db2.gz VITXIWDWSXWUGA-JTQLQIEISA-N 2 2 271.361 -0.214 20 0 CBADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@]12COC(=O)N1CCOC2 ZINC000925732977 658869117 /nfs/dbraw/zinc/86/91/17/658869117.db2.gz HZIOJEBOTPRAEU-GVXVVHGQSA-N 2 2 269.345 -0.062 20 0 CBADLP Cn1nccc1[C@H](O)C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000925890382 658876100 /nfs/dbraw/zinc/87/61/00/658876100.db2.gz OSWXFPTXIWFLDV-MGPQQGTHSA-N 2 2 280.372 -0.190 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[C@H](CC[NH3+])C2)CC1 ZINC000926281652 658888958 /nfs/dbraw/zinc/88/89/58/658888958.db2.gz RBRHLOZNFVQWIE-LBPRGKRZSA-N 2 2 282.388 -0.652 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[C@H](C[NH3+])[C@H](C)C2)CC1 ZINC000926282727 658889345 /nfs/dbraw/zinc/88/93/45/658889345.db2.gz ZAFSNXLWTYTIKZ-CHWSQXEVSA-N 2 2 296.415 -0.406 20 0 CBADLP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1nnc2c(=O)[nH]ccn12 ZINC000926871716 658917107 /nfs/dbraw/zinc/91/71/07/658917107.db2.gz PMEXJCMBQCSYRY-DHHPTOIESA-N 2 2 288.355 -0.153 20 0 CBADLP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1nnc2c(=O)[nH]ccn12 ZINC000926871716 658917112 /nfs/dbraw/zinc/91/71/12/658917112.db2.gz PMEXJCMBQCSYRY-DHHPTOIESA-N 2 2 288.355 -0.153 20 0 CBADLP C[C@@H]([NH2+][C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1)C(N)=O ZINC000968534401 658931144 /nfs/dbraw/zinc/93/11/44/658931144.db2.gz FLMFXBWVHBHUGG-NXEZZACHSA-N 2 2 279.344 -0.593 20 0 CBADLP C[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000968647785 658937396 /nfs/dbraw/zinc/93/73/96/658937396.db2.gz OKOCHTYTVIXXIM-VXGBXAGGSA-N 2 2 282.388 -0.606 20 0 CBADLP C[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000968647785 658937400 /nfs/dbraw/zinc/93/74/00/658937400.db2.gz OKOCHTYTVIXXIM-VXGBXAGGSA-N 2 2 282.388 -0.606 20 0 CBADLP C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1C[NH+](CC(N)=O)C1 ZINC000969409769 658986610 /nfs/dbraw/zinc/98/66/10/658986610.db2.gz GMTZESACJSJVIX-GXSJLCMTSA-N 2 2 268.361 -0.998 20 0 CBADLP C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C1C[NH+](CC(N)=O)C1 ZINC000969409769 658986624 /nfs/dbraw/zinc/98/66/24/658986624.db2.gz GMTZESACJSJVIX-GXSJLCMTSA-N 2 2 268.361 -0.998 20 0 CBADLP C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1C[NH+](CC(N)=O)C1 ZINC000969409772 658988897 /nfs/dbraw/zinc/98/88/97/658988897.db2.gz GMTZESACJSJVIX-ONGXEEELSA-N 2 2 268.361 -0.998 20 0 CBADLP C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1C[NH+](CC(N)=O)C1 ZINC000969409772 658988901 /nfs/dbraw/zinc/98/89/01/658988901.db2.gz GMTZESACJSJVIX-ONGXEEELSA-N 2 2 268.361 -0.998 20 0 CBADLP C[C@@H](NC(=O)[C@H]1C[NH+]2CCC1CC2)C1C[NH+](CC(N)=O)C1 ZINC000969678146 659010860 /nfs/dbraw/zinc/01/08/60/659010860.db2.gz UHOWYANVMBZAHB-MFKMUULPSA-N 2 2 294.399 -0.750 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC000970103984 659035796 /nfs/dbraw/zinc/03/57/96/659035796.db2.gz WTGOMRBMQFIIQG-ZYHUDNBSSA-N 2 2 291.355 -0.579 20 0 CBADLP C[C@@H](CC(=O)N1CC[C@@H]([NH2+]CC(N)=O)C1)n1cc[nH+]c1 ZINC000970128148 659036859 /nfs/dbraw/zinc/03/68/59/659036859.db2.gz BZKVFKRJGYLFGC-WDEREUQCSA-N 2 2 279.344 -0.490 20 0 CBADLP C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1C[NH+](CCO)C1 ZINC000970439327 659056116 /nfs/dbraw/zinc/05/61/16/659056116.db2.gz GITCBSYZPGQZBT-CYZMBNFOSA-N 2 2 292.383 -0.048 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC000970579777 659061085 /nfs/dbraw/zinc/06/10/85/659061085.db2.gz KOGDQEATIMOCAR-MNOVXSKESA-N 2 2 291.355 -0.660 20 0 CBADLP C[C@@H](C(N)=O)[N@H+](C)[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000971433849 659092085 /nfs/dbraw/zinc/09/20/85/659092085.db2.gz UOTHNDGITPYCEH-QWRGUYRKSA-N 2 2 293.371 -0.251 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000971433849 659092091 /nfs/dbraw/zinc/09/20/91/659092091.db2.gz UOTHNDGITPYCEH-QWRGUYRKSA-N 2 2 293.371 -0.251 20 0 CBADLP COc1cc[nH+]c(N2CC[NH+](C[C@@H](O)CO)CC2)c1 ZINC000929526091 659136932 /nfs/dbraw/zinc/13/69/32/659136932.db2.gz JLRJRQBSQCWOGS-LLVKDONJSA-N 2 2 267.329 -0.435 20 0 CBADLP C[C@H]1CC[N@H+](CC(=O)N[C@H]2C[NH+](CC(N)=O)CC2(C)C)C1 ZINC000975060996 659176952 /nfs/dbraw/zinc/17/69/52/659176952.db2.gz KAFOVCVQFUNWSA-RYUDHWBXSA-N 2 2 296.415 -0.360 20 0 CBADLP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[NH+](CC(N)=O)CC2(C)C)C1 ZINC000975060996 659176958 /nfs/dbraw/zinc/17/69/58/659176958.db2.gz KAFOVCVQFUNWSA-RYUDHWBXSA-N 2 2 296.415 -0.360 20 0 CBADLP C[C@H]1CC[NH+](CC(=O)N[C@H]2C[N@H+](CC(N)=O)CC2(C)C)C1 ZINC000975060996 659176961 /nfs/dbraw/zinc/17/69/61/659176961.db2.gz KAFOVCVQFUNWSA-RYUDHWBXSA-N 2 2 296.415 -0.360 20 0 CBADLP C[C@H]1CC[NH+](CC(=O)N[C@H]2C[N@@H+](CC(N)=O)CC2(C)C)C1 ZINC000975060996 659176965 /nfs/dbraw/zinc/17/69/65/659176965.db2.gz KAFOVCVQFUNWSA-RYUDHWBXSA-N 2 2 296.415 -0.360 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000977596270 659198626 /nfs/dbraw/zinc/19/86/26/659198626.db2.gz RRBLSODNXYZWSB-VXGBXAGGSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000977596270 659198628 /nfs/dbraw/zinc/19/86/28/659198628.db2.gz RRBLSODNXYZWSB-VXGBXAGGSA-N 2 2 296.415 -0.217 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]([N@@H+](C)[C@@H](C)C(N)=O)C1 ZINC000980406110 659268980 /nfs/dbraw/zinc/26/89/80/659268980.db2.gz AHQWOMNCTYIHFD-CMPLNLGQSA-N 2 2 293.371 -0.402 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]([N@H+](C)[C@@H](C)C(N)=O)C1 ZINC000980406110 659268994 /nfs/dbraw/zinc/26/89/94/659268994.db2.gz AHQWOMNCTYIHFD-CMPLNLGQSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@@H](O)C[N@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000980538168 659274286 /nfs/dbraw/zinc/27/42/86/659274286.db2.gz AYAWBCPSRCHWDS-NEPJUHHUSA-N 2 2 266.345 -0.203 20 0 CBADLP C[C@@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000980538168 659274296 /nfs/dbraw/zinc/27/42/96/659274296.db2.gz AYAWBCPSRCHWDS-NEPJUHHUSA-N 2 2 266.345 -0.203 20 0 CBADLP CO[C@@H](C)C[N@H+]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000980893584 659298589 /nfs/dbraw/zinc/29/85/89/659298589.db2.gz NIBMMLZAEJXYPW-UONOGXRCSA-N 2 2 299.415 -0.114 20 0 CBADLP CO[C@@H](C)C[NH+]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000980893584 659298596 /nfs/dbraw/zinc/29/85/96/659298596.db2.gz NIBMMLZAEJXYPW-UONOGXRCSA-N 2 2 299.415 -0.114 20 0 CBADLP CO[C@@H](C)C[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000980893584 659298600 /nfs/dbraw/zinc/29/86/00/659298600.db2.gz NIBMMLZAEJXYPW-UONOGXRCSA-N 2 2 299.415 -0.114 20 0 CBADLP CC(C)[NH2+]C1(CO)CC[NH+](C[C@H](O)[C@H](C)O)CC1 ZINC000930613316 659311388 /nfs/dbraw/zinc/31/13/88/659311388.db2.gz GJGCSJJNNZBNMU-RYUDHWBXSA-N 2 2 260.378 -0.447 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC000981333742 659315740 /nfs/dbraw/zinc/31/57/40/659315740.db2.gz UHDKVNFCPHLUDD-WCQYABFASA-N 2 2 296.415 -0.265 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC000981333742 659315741 /nfs/dbraw/zinc/31/57/41/659315741.db2.gz UHDKVNFCPHLUDD-WCQYABFASA-N 2 2 296.415 -0.265 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CCC[C@H]([NH2+]CCO)C1 ZINC000981415512 659317572 /nfs/dbraw/zinc/31/75/72/659317572.db2.gz AQCNPDCKKOTQJA-QWRGUYRKSA-N 2 2 266.345 -0.039 20 0 CBADLP NC(=O)C[NH2+][C@H]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000981547328 659322621 /nfs/dbraw/zinc/32/26/21/659322621.db2.gz DWZROAXAXMHPFC-QWRGUYRKSA-N 2 2 279.344 -0.615 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CCCN(C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC000981953487 659336688 /nfs/dbraw/zinc/33/66/88/659336688.db2.gz OFRMDOWLJBDFBV-STQMWFEESA-N 2 2 296.415 -0.121 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CCCN(C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC000981953487 659336698 /nfs/dbraw/zinc/33/66/98/659336698.db2.gz OFRMDOWLJBDFBV-STQMWFEESA-N 2 2 296.415 -0.121 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CCCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC000981953487 659336702 /nfs/dbraw/zinc/33/67/02/659336702.db2.gz OFRMDOWLJBDFBV-STQMWFEESA-N 2 2 296.415 -0.121 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CCCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC000981953487 659336711 /nfs/dbraw/zinc/33/67/11/659336711.db2.gz OFRMDOWLJBDFBV-STQMWFEESA-N 2 2 296.415 -0.121 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[N@@H+](CCCO)CC1 ZINC000982035191 659339403 /nfs/dbraw/zinc/33/94/03/659339403.db2.gz ANZNXGMFVQWULA-UHFFFAOYSA-N 2 2 266.345 -0.131 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[N@H+](CCCO)CC1 ZINC000982035191 659339411 /nfs/dbraw/zinc/33/94/11/659339411.db2.gz ANZNXGMFVQWULA-UHFFFAOYSA-N 2 2 266.345 -0.131 20 0 CBADLP C[C@@H](C(N)=O)[N@H+](C)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000985817604 659401849 /nfs/dbraw/zinc/40/18/49/659401849.db2.gz ZJIHGLJLXBAJAF-NSHDSACASA-N 2 2 293.371 -0.320 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+](C)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000985817604 659401854 /nfs/dbraw/zinc/40/18/54/659401854.db2.gz ZJIHGLJLXBAJAF-NSHDSACASA-N 2 2 293.371 -0.320 20 0 CBADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CCC(=O)N3CCOCC3)C[C@H]21 ZINC000931282267 659425364 /nfs/dbraw/zinc/42/53/64/659425364.db2.gz OAFLBQCBKLVOLU-IMRBUKKESA-N 2 2 267.373 -0.273 20 0 CBADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CCC(=O)N3CCOCC3)C[C@H]21 ZINC000931282267 659425367 /nfs/dbraw/zinc/42/53/67/659425367.db2.gz OAFLBQCBKLVOLU-IMRBUKKESA-N 2 2 267.373 -0.273 20 0 CBADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@H]3CCN(S(C)(=O)=O)C3)C[C@H]21 ZINC000931280393 659425902 /nfs/dbraw/zinc/42/59/02/659425902.db2.gz FKSWMDBFTJQUIE-NDBYEHHHSA-N 2 2 287.429 -0.240 20 0 CBADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[C@H]3CCN(S(C)(=O)=O)C3)C[C@H]21 ZINC000931280393 659425909 /nfs/dbraw/zinc/42/59/09/659425909.db2.gz FKSWMDBFTJQUIE-NDBYEHHHSA-N 2 2 287.429 -0.240 20 0 CBADLP C[N@@H+]1C[C@]2(C)C[NH+](CCN3C(=O)CNC3=O)C[C@]2(C)C1 ZINC000931305824 659426972 /nfs/dbraw/zinc/42/69/72/659426972.db2.gz HPMOKXIPLOYUEM-OKILXGFUSA-N 2 2 280.372 -0.188 20 0 CBADLP C[N@H+]1C[C@]2(C)C[NH+](CCN3C(=O)CNC3=O)C[C@]2(C)C1 ZINC000931305824 659426981 /nfs/dbraw/zinc/42/69/81/659426981.db2.gz HPMOKXIPLOYUEM-OKILXGFUSA-N 2 2 280.372 -0.188 20 0 CBADLP C[NH+]1C[C@]2(C)C[N@H+](CCN3C(=O)CNC3=O)C[C@]2(C)C1 ZINC000931305824 659426988 /nfs/dbraw/zinc/42/69/88/659426988.db2.gz HPMOKXIPLOYUEM-OKILXGFUSA-N 2 2 280.372 -0.188 20 0 CBADLP C[NH+]1C[C@]2(C)C[N@@H+](CCN3C(=O)CNC3=O)C[C@]2(C)C1 ZINC000931305824 659426994 /nfs/dbraw/zinc/42/69/94/659426994.db2.gz HPMOKXIPLOYUEM-OKILXGFUSA-N 2 2 280.372 -0.188 20 0 CBADLP C[N@@H+]1C[C@]2(C)C[NH+](CCCS(N)(=O)=O)C[C@]2(C)C1 ZINC000931311102 659431556 /nfs/dbraw/zinc/43/15/56/659431556.db2.gz NRYYBQDHNOFWFT-TXEJJXNPSA-N 2 2 275.418 -0.061 20 0 CBADLP C[N@H+]1C[C@]2(C)C[NH+](CCCS(N)(=O)=O)C[C@]2(C)C1 ZINC000931311102 659431564 /nfs/dbraw/zinc/43/15/64/659431564.db2.gz NRYYBQDHNOFWFT-TXEJJXNPSA-N 2 2 275.418 -0.061 20 0 CBADLP C[NH+]1C[C@]2(C)C[N@H+](CCCS(N)(=O)=O)C[C@]2(C)C1 ZINC000931311102 659431598 /nfs/dbraw/zinc/43/15/98/659431598.db2.gz NRYYBQDHNOFWFT-TXEJJXNPSA-N 2 2 275.418 -0.061 20 0 CBADLP C[NH+]1C[C@]2(C)C[N@@H+](CCCS(N)(=O)=O)C[C@]2(C)C1 ZINC000931311102 659431635 /nfs/dbraw/zinc/43/16/35/659431635.db2.gz NRYYBQDHNOFWFT-TXEJJXNPSA-N 2 2 275.418 -0.061 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)N2CC[N@H+](C)[C@H](CO)C2)CC1 ZINC000931412646 659458134 /nfs/dbraw/zinc/45/81/34/659458134.db2.gz ZIEAVXZKCKCZFK-KBPBESRZSA-N 2 2 298.431 -0.853 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)N2CC[N@@H+](C)[C@H](CO)C2)CC1 ZINC000931412646 659458143 /nfs/dbraw/zinc/45/81/43/659458143.db2.gz ZIEAVXZKCKCZFK-KBPBESRZSA-N 2 2 298.431 -0.853 20 0 CBADLP C[C@@H]1[C@H]([NH2+]CC(N)=O)CCN1C(=O)CCc1[nH+]ccn1C ZINC000986604934 659465385 /nfs/dbraw/zinc/46/53/85/659465385.db2.gz VCVLMYRULGQDSN-GHMZBOCLSA-N 2 2 293.371 -0.583 20 0 CBADLP COC(=O)CNC(=O)CC[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931510391 659477358 /nfs/dbraw/zinc/47/73/58/659477358.db2.gz DNDRJQAIINUPSW-UHFFFAOYSA-N 2 2 292.339 -0.299 20 0 CBADLP COC(=O)CNC(=O)CC[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931510391 659477364 /nfs/dbraw/zinc/47/73/64/659477364.db2.gz DNDRJQAIINUPSW-UHFFFAOYSA-N 2 2 292.339 -0.299 20 0 CBADLP Nc1cc[nH+]c2c1C[N@H+](C[C@H](O)C1(O)CCOCC1)CC2 ZINC000931516371 659477531 /nfs/dbraw/zinc/47/75/31/659477531.db2.gz MROJGGYCWHQEQK-AWEZNQCLSA-N 2 2 293.367 -0.076 20 0 CBADLP Nc1cc[nH+]c2c1C[N@@H+](C[C@H](O)C1(O)CCOCC1)CC2 ZINC000931516371 659477545 /nfs/dbraw/zinc/47/75/45/659477545.db2.gz MROJGGYCWHQEQK-AWEZNQCLSA-N 2 2 293.367 -0.076 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(OC)(OC)[C@H](O)C1 ZINC000931632956 659496982 /nfs/dbraw/zinc/49/69/82/659496982.db2.gz DQLYUMPDMYZYRJ-NWDGAFQWSA-N 2 2 276.377 -0.645 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(OC)(OC)[C@H](O)C1 ZINC000931632956 659496985 /nfs/dbraw/zinc/49/69/85/659496985.db2.gz DQLYUMPDMYZYRJ-NWDGAFQWSA-N 2 2 276.377 -0.645 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC(OC)(OC)[C@H](O)C1 ZINC000931632956 659496988 /nfs/dbraw/zinc/49/69/88/659496988.db2.gz DQLYUMPDMYZYRJ-NWDGAFQWSA-N 2 2 276.377 -0.645 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC(OC)(OC)[C@H](O)C1 ZINC000931632956 659496993 /nfs/dbraw/zinc/49/69/93/659496993.db2.gz DQLYUMPDMYZYRJ-NWDGAFQWSA-N 2 2 276.377 -0.645 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(OC)(OC)[C@@H](O)C1 ZINC000931632955 659497413 /nfs/dbraw/zinc/49/74/13/659497413.db2.gz DQLYUMPDMYZYRJ-NEPJUHHUSA-N 2 2 276.377 -0.645 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(OC)(OC)[C@@H](O)C1 ZINC000931632955 659497422 /nfs/dbraw/zinc/49/74/22/659497422.db2.gz DQLYUMPDMYZYRJ-NEPJUHHUSA-N 2 2 276.377 -0.645 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC(OC)(OC)[C@@H](O)C1 ZINC000931632955 659497429 /nfs/dbraw/zinc/49/74/29/659497429.db2.gz DQLYUMPDMYZYRJ-NEPJUHHUSA-N 2 2 276.377 -0.645 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC(OC)(OC)[C@@H](O)C1 ZINC000931632955 659497436 /nfs/dbraw/zinc/49/74/36/659497436.db2.gz DQLYUMPDMYZYRJ-NEPJUHHUSA-N 2 2 276.377 -0.645 20 0 CBADLP C[C@@H]1[C@H]([NH2+]CCO)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000987265493 659499374 /nfs/dbraw/zinc/49/93/74/659499374.db2.gz HUTGJVXIACNJJF-NXEZZACHSA-N 2 2 252.318 -0.477 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]([NH2+]CC(N)=O)[C@H]1C ZINC000987424031 659506224 /nfs/dbraw/zinc/50/62/24/659506224.db2.gz YIQMAFKPBWUWKD-NXEZZACHSA-N 2 2 279.344 -0.675 20 0 CBADLP C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000931873375 659535602 /nfs/dbraw/zinc/53/56/02/659535602.db2.gz LUTRJURQPABPJN-GHMZBOCLSA-N 2 2 268.361 -0.983 20 0 CBADLP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000931873375 659535613 /nfs/dbraw/zinc/53/56/13/659535613.db2.gz LUTRJURQPABPJN-GHMZBOCLSA-N 2 2 268.361 -0.983 20 0 CBADLP C[NH+]1CC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000931873375 659535621 /nfs/dbraw/zinc/53/56/21/659535621.db2.gz LUTRJURQPABPJN-GHMZBOCLSA-N 2 2 268.361 -0.983 20 0 CBADLP C[NH+]1CC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000931873375 659535632 /nfs/dbraw/zinc/53/56/32/659535632.db2.gz LUTRJURQPABPJN-GHMZBOCLSA-N 2 2 268.361 -0.983 20 0 CBADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)NC[C@H]1CC[NH+]1C ZINC000931880030 659541656 /nfs/dbraw/zinc/54/16/56/659541656.db2.gz ZVUPHMIICWGZQY-OLZOCXBDSA-N 2 2 296.415 -0.395 20 0 CBADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC[C@H]1CC[NH+]1C ZINC000931880030 659541663 /nfs/dbraw/zinc/54/16/63/659541663.db2.gz ZVUPHMIICWGZQY-OLZOCXBDSA-N 2 2 296.415 -0.395 20 0 CBADLP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000931880030 659541675 /nfs/dbraw/zinc/54/16/75/659541675.db2.gz ZVUPHMIICWGZQY-OLZOCXBDSA-N 2 2 296.415 -0.395 20 0 CBADLP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)C(=O)NC[C@H]1CC[N@H+]1C ZINC000931880030 659541686 /nfs/dbraw/zinc/54/16/86/659541686.db2.gz ZVUPHMIICWGZQY-OLZOCXBDSA-N 2 2 296.415 -0.395 20 0 CBADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@@H]2CC[NH+]2C)C[C@@H]1C ZINC000931883357 659548647 /nfs/dbraw/zinc/54/86/47/659548647.db2.gz SHNSJTWLLKCFHC-AVGNSLFASA-N 2 2 296.415 -0.252 20 0 CBADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@@H]2CC[NH+]2C)C[C@@H]1C ZINC000931883357 659548651 /nfs/dbraw/zinc/54/86/51/659548651.db2.gz SHNSJTWLLKCFHC-AVGNSLFASA-N 2 2 296.415 -0.252 20 0 CBADLP CC[NH+]1C[C@H](C)N(C(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)C[C@@H]1C ZINC000931883357 659548654 /nfs/dbraw/zinc/54/86/54/659548654.db2.gz SHNSJTWLLKCFHC-AVGNSLFASA-N 2 2 296.415 -0.252 20 0 CBADLP CC[NH+]1C[C@H](C)N(C(=O)C(=O)NC[C@@H]2CC[N@H+]2C)C[C@@H]1C ZINC000931883357 659548659 /nfs/dbraw/zinc/54/86/59/659548659.db2.gz SHNSJTWLLKCFHC-AVGNSLFASA-N 2 2 296.415 -0.252 20 0 CBADLP C[C@@H]1C[C@@H]([NH2+]CC(N)=O)CN1C(=O)CCc1[nH]cc[nH+]1 ZINC000988746852 659554417 /nfs/dbraw/zinc/55/44/17/659554417.db2.gz XHKSNKIOVFFJQA-NXEZZACHSA-N 2 2 279.344 -0.593 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC000989480343 659590397 /nfs/dbraw/zinc/59/03/97/659590397.db2.gz FSNMSYOSLRSUJC-OLZOCXBDSA-N 2 2 296.415 -0.264 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC000989480343 659590403 /nfs/dbraw/zinc/59/04/03/659590403.db2.gz FSNMSYOSLRSUJC-OLZOCXBDSA-N 2 2 296.415 -0.264 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000989480343 659590411 /nfs/dbraw/zinc/59/04/11/659590411.db2.gz FSNMSYOSLRSUJC-OLZOCXBDSA-N 2 2 296.415 -0.264 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000989480343 659590416 /nfs/dbraw/zinc/59/04/16/659590416.db2.gz FSNMSYOSLRSUJC-OLZOCXBDSA-N 2 2 296.415 -0.264 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+]1CCCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000989669814 659605287 /nfs/dbraw/zinc/60/52/87/659605287.db2.gz JCCKEDKGHHGPIH-ZDUSSCGKSA-N 2 2 296.415 -0.120 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+]1CCCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000989669814 659605293 /nfs/dbraw/zinc/60/52/93/659605293.db2.gz JCCKEDKGHHGPIH-ZDUSSCGKSA-N 2 2 296.415 -0.120 20 0 CBADLP CNC(=O)C[N@@H+]1CCCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC000989670719 659605960 /nfs/dbraw/zinc/60/59/60/659605960.db2.gz HGVWKVLOQFDUDO-UHFFFAOYSA-N 2 2 293.371 -0.528 20 0 CBADLP CNC(=O)C[N@H+]1CCCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC000989670719 659605963 /nfs/dbraw/zinc/60/59/63/659605963.db2.gz HGVWKVLOQFDUDO-UHFFFAOYSA-N 2 2 293.371 -0.528 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[NH+](CCO)CC2)C1 ZINC000989709644 659609572 /nfs/dbraw/zinc/60/95/72/659609572.db2.gz RDXFMLYVVGICGF-CYBMUJFWSA-N 2 2 285.388 -0.766 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)N2CCC[NH+](CCO)CC2)C1 ZINC000989709644 659609575 /nfs/dbraw/zinc/60/95/75/659609575.db2.gz RDXFMLYVVGICGF-CYBMUJFWSA-N 2 2 285.388 -0.766 20 0 CBADLP CC[NH+]1CCO[C@@H](C(=O)N2CCC[N@H+](CCO)CC2)C1 ZINC000989709644 659609578 /nfs/dbraw/zinc/60/95/78/659609578.db2.gz RDXFMLYVVGICGF-CYBMUJFWSA-N 2 2 285.388 -0.766 20 0 CBADLP CC[NH+]1CCO[C@@H](C(=O)N2CCC[N@@H+](CCO)CC2)C1 ZINC000989709644 659609581 /nfs/dbraw/zinc/60/95/81/659609581.db2.gz RDXFMLYVVGICGF-CYBMUJFWSA-N 2 2 285.388 -0.766 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]([NH2+]CCO)C[C@@H]1C ZINC000989729598 659610025 /nfs/dbraw/zinc/61/00/25/659610025.db2.gz CCEPMGDHOUYLCM-ONGXEEELSA-N 2 2 266.345 -0.168 20 0 CBADLP CCOC(=O)[C@H]1CC[N@H+](C[C@@H](O)C[NH+](C)CCOC)C1 ZINC000932640572 659612504 /nfs/dbraw/zinc/61/25/04/659612504.db2.gz ZPIWKGYFYPLFOB-STQMWFEESA-N 2 2 288.388 -0.190 20 0 CBADLP CCOC(=O)[C@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)CCOC)C1 ZINC000932640572 659612509 /nfs/dbraw/zinc/61/25/09/659612509.db2.gz ZPIWKGYFYPLFOB-STQMWFEESA-N 2 2 288.388 -0.190 20 0 CBADLP CCOC(=O)[C@H]1CC[NH+](C[C@@H](O)C[N@H+](C)CCOC)C1 ZINC000932640572 659612512 /nfs/dbraw/zinc/61/25/12/659612512.db2.gz ZPIWKGYFYPLFOB-STQMWFEESA-N 2 2 288.388 -0.190 20 0 CBADLP CCOC(=O)[C@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)CCOC)C1 ZINC000932640572 659612518 /nfs/dbraw/zinc/61/25/18/659612518.db2.gz ZPIWKGYFYPLFOB-STQMWFEESA-N 2 2 288.388 -0.190 20 0 CBADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](CS(N)(=O)=O)C1 ZINC000932949981 659645602 /nfs/dbraw/zinc/64/56/02/659645602.db2.gz XRSOPUUUIVJKLC-NWDGAFQWSA-N 2 2 293.433 -0.702 20 0 CBADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](CS(N)(=O)=O)C1 ZINC000932949981 659645607 /nfs/dbraw/zinc/64/56/07/659645607.db2.gz XRSOPUUUIVJKLC-NWDGAFQWSA-N 2 2 293.433 -0.702 20 0 CBADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](CS(N)(=O)=O)C1 ZINC000932949981 659645614 /nfs/dbraw/zinc/64/56/14/659645614.db2.gz XRSOPUUUIVJKLC-NWDGAFQWSA-N 2 2 293.433 -0.702 20 0 CBADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](CS(N)(=O)=O)C1 ZINC000932949981 659645624 /nfs/dbraw/zinc/64/56/24/659645624.db2.gz XRSOPUUUIVJKLC-NWDGAFQWSA-N 2 2 293.433 -0.702 20 0 CBADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](CS(N)(=O)=O)C1 ZINC000932949983 659646466 /nfs/dbraw/zinc/64/64/66/659646466.db2.gz XRSOPUUUIVJKLC-RYUDHWBXSA-N 2 2 293.433 -0.702 20 0 CBADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](CS(N)(=O)=O)C1 ZINC000932949983 659646474 /nfs/dbraw/zinc/64/64/74/659646474.db2.gz XRSOPUUUIVJKLC-RYUDHWBXSA-N 2 2 293.433 -0.702 20 0 CBADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](CS(N)(=O)=O)C1 ZINC000932949983 659646487 /nfs/dbraw/zinc/64/64/87/659646487.db2.gz XRSOPUUUIVJKLC-RYUDHWBXSA-N 2 2 293.433 -0.702 20 0 CBADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](CS(N)(=O)=O)C1 ZINC000932949983 659646516 /nfs/dbraw/zinc/64/65/16/659646516.db2.gz XRSOPUUUIVJKLC-RYUDHWBXSA-N 2 2 293.433 -0.702 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@]12CCC[C@H]1[NH+](CC(N)=O)CC2 ZINC000990025274 659647325 /nfs/dbraw/zinc/64/73/25/659647325.db2.gz IFFLUSMQYFPZOF-LALPHHSUSA-N 2 2 294.399 -0.321 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@]12CCC[C@H]1[NH+](CC(N)=O)CC2 ZINC000990025274 659647333 /nfs/dbraw/zinc/64/73/33/659647333.db2.gz IFFLUSMQYFPZOF-LALPHHSUSA-N 2 2 294.399 -0.321 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@]12CCC[C@H]1[N@H+](CC(N)=O)CC2 ZINC000990025274 659647338 /nfs/dbraw/zinc/64/73/38/659647338.db2.gz IFFLUSMQYFPZOF-LALPHHSUSA-N 2 2 294.399 -0.321 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@]12CCC[C@H]1[N@@H+](CC(N)=O)CC2 ZINC000990025274 659647359 /nfs/dbraw/zinc/64/73/59/659647359.db2.gz IFFLUSMQYFPZOF-LALPHHSUSA-N 2 2 294.399 -0.321 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N[C@]23CCC[C@@H]2[NH+](CCO)CC3)C1 ZINC000990109938 659673100 /nfs/dbraw/zinc/67/31/00/659673100.db2.gz UIRZQOWVUVHWJL-YDHLFZDLSA-N 2 2 297.399 -0.578 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N[C@]23CCC[C@@H]2[NH+](CCO)CC3)C1 ZINC000990109938 659673106 /nfs/dbraw/zinc/67/31/06/659673106.db2.gz UIRZQOWVUVHWJL-YDHLFZDLSA-N 2 2 297.399 -0.578 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N[C@]23CCC[C@@H]2[N@H+](CCO)CC3)C1 ZINC000990109938 659673110 /nfs/dbraw/zinc/67/31/10/659673110.db2.gz UIRZQOWVUVHWJL-YDHLFZDLSA-N 2 2 297.399 -0.578 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N[C@]23CCC[C@@H]2[N@@H+](CCO)CC3)C1 ZINC000990109938 659673117 /nfs/dbraw/zinc/67/31/17/659673117.db2.gz UIRZQOWVUVHWJL-YDHLFZDLSA-N 2 2 297.399 -0.578 20 0 CBADLP C[N@@H+]1CC[C@@H](C(=O)NC2CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC000991721679 659842605 /nfs/dbraw/zinc/84/26/05/659842605.db2.gz NXEWJTOTPIKMAZ-SNVBAGLBSA-N 2 2 291.355 -0.769 20 0 CBADLP C[N@H+]1CC[C@@H](C(=O)NC2CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC000991721679 659842607 /nfs/dbraw/zinc/84/26/07/659842607.db2.gz NXEWJTOTPIKMAZ-SNVBAGLBSA-N 2 2 291.355 -0.769 20 0 CBADLP C[C@H]1[C@H](NC(=O)C2CC[NH+](C)CC2)CCC[N@@H+]1CC(N)=O ZINC000993749502 659873629 /nfs/dbraw/zinc/87/36/29/659873629.db2.gz CIFXEWPEYZOIKY-WCQYABFASA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@H]1[C@H](NC(=O)C2CC[NH+](C)CC2)CCC[N@H+]1CC(N)=O ZINC000993749502 659873633 /nfs/dbraw/zinc/87/36/33/659873633.db2.gz CIFXEWPEYZOIKY-WCQYABFASA-N 2 2 296.415 -0.217 20 0 CBADLP CC1(C)CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1[NH2+]CC(N)=O ZINC000995746590 659908184 /nfs/dbraw/zinc/90/81/84/659908184.db2.gz MXELORQDZXBQOD-SNVBAGLBSA-N 2 2 293.371 -0.346 20 0 CBADLP C[C@H]1C[N@H+](CC(N)=O)CC[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC000944099707 659933381 /nfs/dbraw/zinc/93/33/81/659933381.db2.gz RSADGROXZUFWPP-JQWIXIFHSA-N 2 2 293.371 -0.726 20 0 CBADLP C[C@H]1C[N@@H+](CC(N)=O)CC[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC000944099707 659933383 /nfs/dbraw/zinc/93/33/83/659933383.db2.gz RSADGROXZUFWPP-JQWIXIFHSA-N 2 2 293.371 -0.726 20 0 CBADLP C[C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC[N@H+]1CCO ZINC000947861483 659962323 /nfs/dbraw/zinc/96/23/23/659962323.db2.gz NBMSYBANUNBAGC-WDEREUQCSA-N 2 2 266.345 -0.086 20 0 CBADLP C[C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC[N@@H+]1CCO ZINC000947861483 659962319 /nfs/dbraw/zinc/96/23/19/659962319.db2.gz NBMSYBANUNBAGC-WDEREUQCSA-N 2 2 266.345 -0.086 20 0 CBADLP C[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)CC[N@@H+]1CC(N)=O ZINC000948089294 659965510 /nfs/dbraw/zinc/96/55/10/659965510.db2.gz BUJWBNNHYXSZHI-WDEREUQCSA-N 2 2 279.344 -0.663 20 0 CBADLP C[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)CC[N@H+]1CC(N)=O ZINC000948089294 659965512 /nfs/dbraw/zinc/96/55/12/659965512.db2.gz BUJWBNNHYXSZHI-WDEREUQCSA-N 2 2 279.344 -0.663 20 0 CBADLP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[NH+](CCCO)CC1 ZINC000950491011 659992630 /nfs/dbraw/zinc/99/26/30/659992630.db2.gz GZECYXRVQVJKLZ-ZDUSSCGKSA-N 2 2 269.389 -0.003 20 0 CBADLP C[C@H]1CCC[N@H+]1CC(=O)N1CC[NH+](CCCO)CC1 ZINC000950491011 659992631 /nfs/dbraw/zinc/99/26/31/659992631.db2.gz GZECYXRVQVJKLZ-ZDUSSCGKSA-N 2 2 269.389 -0.003 20 0 CBADLP C[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](CCCO)CC2)C1 ZINC000950502507 659992818 /nfs/dbraw/zinc/99/28/18/659992818.db2.gz QNKKUWXHSNXXEZ-CYBMUJFWSA-N 2 2 269.389 -0.145 20 0 CBADLP C[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](CCCO)CC2)C1 ZINC000950502507 659992820 /nfs/dbraw/zinc/99/28/20/659992820.db2.gz QNKKUWXHSNXXEZ-CYBMUJFWSA-N 2 2 269.389 -0.145 20 0 CBADLP C[N@H+](CCN1CC[NH2+]CC1)[C@H]1CCS(=O)(=O)C1 ZINC000037632061 790319714 /nfs/dbraw/zinc/31/97/14/790319714.db2.gz QLEXLTSHJANDGJ-NSHDSACASA-N 2 2 261.391 -0.990 20 0 CBADLP C[N@@H+](CCN1CC[NH2+]CC1)[C@H]1CCS(=O)(=O)C1 ZINC000037632061 790319721 /nfs/dbraw/zinc/31/97/21/790319721.db2.gz QLEXLTSHJANDGJ-NSHDSACASA-N 2 2 261.391 -0.990 20 0 CBADLP CC(C)[C@](C)([NH2+]C[C@H](O)C[NH+]1CCCC1)C(N)=O ZINC000302626500 790469461 /nfs/dbraw/zinc/46/94/61/790469461.db2.gz BZGPXVUSLHAATH-AAEUAGOBSA-N 2 2 257.378 -0.067 20 0 CBADLP O[C@@H](C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1)C(F)(F)F ZINC000310986422 790475210 /nfs/dbraw/zinc/47/52/10/790475210.db2.gz GYHUJVPBMRZELE-UWVGGRQHSA-N 2 2 267.295 -0.111 20 0 CBADLP CC(C)[NH+]1CC(NS(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC000379100364 790508531 /nfs/dbraw/zinc/50/85/31/790508531.db2.gz DZVAAJBFDWVBAY-UHFFFAOYSA-N 2 2 275.418 -0.002 20 0 CBADLP COCCCNC(=O)C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000381230290 790519334 /nfs/dbraw/zinc/51/93/34/790519334.db2.gz ICMCIHMJQZDKHB-NWDGAFQWSA-N 2 2 255.362 -0.320 20 0 CBADLP COCCCNC(=O)C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000381230290 790519342 /nfs/dbraw/zinc/51/93/42/790519342.db2.gz ICMCIHMJQZDKHB-NWDGAFQWSA-N 2 2 255.362 -0.320 20 0 CBADLP CN1CC[C@@H]([NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)C1=O ZINC000385484969 790542736 /nfs/dbraw/zinc/54/27/36/790542736.db2.gz OWFVNEYZZKPQRH-VXGBXAGGSA-N 2 2 252.362 -0.803 20 0 CBADLP C[C@@H]1CN(C[C@H](O)C[NH+]2CCOCC2)C[C@H](C)[NH2+]1 ZINC000386453998 790547779 /nfs/dbraw/zinc/54/77/79/790547779.db2.gz RRGABDSKXPLSKH-FRRDWIJNSA-N 2 2 257.378 -0.638 20 0 CBADLP CNC(=O)CN1CCC([NH2+][C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000396552783 790582853 /nfs/dbraw/zinc/58/28/53/790582853.db2.gz PMBVDKPFCFQZMO-YPMHNXCESA-N 2 2 268.405 -0.073 20 0 CBADLP CNC(=O)C[NH+]1CCC(N[C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000396552783 790582859 /nfs/dbraw/zinc/58/28/59/790582859.db2.gz PMBVDKPFCFQZMO-YPMHNXCESA-N 2 2 268.405 -0.073 20 0 CBADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](O)[C@H](CO)C1 ZINC000396898919 790590741 /nfs/dbraw/zinc/59/07/41/790590741.db2.gz VLMXIFKFDXWZLS-RWMBFGLXSA-N 2 2 260.378 -0.637 20 0 CBADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](O)[C@H](CO)C1 ZINC000396898919 790590752 /nfs/dbraw/zinc/59/07/52/790590752.db2.gz VLMXIFKFDXWZLS-RWMBFGLXSA-N 2 2 260.378 -0.637 20 0 CBADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](O)[C@H](CO)C1 ZINC000396898919 790590768 /nfs/dbraw/zinc/59/07/68/790590768.db2.gz VLMXIFKFDXWZLS-RWMBFGLXSA-N 2 2 260.378 -0.637 20 0 CBADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](O)[C@H](CO)C1 ZINC000396898919 790590776 /nfs/dbraw/zinc/59/07/76/790590776.db2.gz VLMXIFKFDXWZLS-RWMBFGLXSA-N 2 2 260.378 -0.637 20 0 CBADLP CO[C@@]1(CO)CCC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000401726851 790607354 /nfs/dbraw/zinc/60/73/54/790607354.db2.gz QZHFUQGFNPZWFF-KBPBESRZSA-N 2 2 272.389 -0.084 20 0 CBADLP CO[C@@]1(CO)CCC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000401726851 790607358 /nfs/dbraw/zinc/60/73/58/790607358.db2.gz QZHFUQGFNPZWFF-KBPBESRZSA-N 2 2 272.389 -0.084 20 0 CBADLP CC[N@H+](CCS(C)(=O)=O)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000686230493 790648382 /nfs/dbraw/zinc/64/83/82/790648382.db2.gz BYDSUZQQTMPAFT-LLVKDONJSA-N 2 2 276.402 -0.126 20 0 CBADLP CC[N@@H+](CCS(C)(=O)=O)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000686230493 790648389 /nfs/dbraw/zinc/64/83/89/790648389.db2.gz BYDSUZQQTMPAFT-LLVKDONJSA-N 2 2 276.402 -0.126 20 0 CBADLP O=S1(=O)CCCN1CC[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000695115046 790687196 /nfs/dbraw/zinc/68/71/96/790687196.db2.gz MZZWCUHMZKWECN-GFCCVEGCSA-N 2 2 273.402 -0.293 20 0 CBADLP O=S1(=O)CCCN1CC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000695115046 790687201 /nfs/dbraw/zinc/68/72/01/790687201.db2.gz MZZWCUHMZKWECN-GFCCVEGCSA-N 2 2 273.402 -0.293 20 0 CBADLP C[NH2+]C[C@H]1CCC[N@H+](CCN2CCCS2(=O)=O)C1 ZINC000695135762 790689148 /nfs/dbraw/zinc/68/91/48/790689148.db2.gz RBZPWZXLBMOWMB-GFCCVEGCSA-N 2 2 275.418 -0.047 20 0 CBADLP C[NH2+]C[C@H]1CCC[N@@H+](CCN2CCCS2(=O)=O)C1 ZINC000695135762 790689151 /nfs/dbraw/zinc/68/91/51/790689151.db2.gz RBZPWZXLBMOWMB-GFCCVEGCSA-N 2 2 275.418 -0.047 20 0 CBADLP C[C@H]1CC[C@@H](N2CC[NH+](CC(=O)N(C)C)CC2)C[NH2+]1 ZINC000700800779 790711879 /nfs/dbraw/zinc/71/18/79/790711879.db2.gz HRKVBSFAVSFFBN-QWHCGFSZSA-N 2 2 268.405 -0.167 20 0 CBADLP COC[C@]1(C(=O)NCc2[nH]c[nH+]c2C)C[NH2+]CCO1 ZINC000710852528 790741705 /nfs/dbraw/zinc/74/17/05/790741705.db2.gz OPQMXVCWLUAHCD-LBPRGKRZSA-N 2 2 268.317 -0.661 20 0 CBADLP O=C(N1CC[NH+](CCO)CC1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000711245912 790744585 /nfs/dbraw/zinc/74/45/85/790744585.db2.gz AGYLFALRGBPSNV-OCCSQVGLSA-N 2 2 267.373 -0.345 20 0 CBADLP C[N@H+](C[C@H](O)CO)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000711820493 790747995 /nfs/dbraw/zinc/74/79/95/790747995.db2.gz JMRYDHTZPUVLAP-JKSUJKDBSA-N 2 2 294.395 -0.092 20 0 CBADLP C[N@@H+](C[C@H](O)CO)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000711820493 790748004 /nfs/dbraw/zinc/74/80/04/790748004.db2.gz JMRYDHTZPUVLAP-JKSUJKDBSA-N 2 2 294.395 -0.092 20 0 CBADLP C[NH+](C[C@H](O)CO)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000711820493 790748011 /nfs/dbraw/zinc/74/80/11/790748011.db2.gz JMRYDHTZPUVLAP-JKSUJKDBSA-N 2 2 294.395 -0.092 20 0 CBADLP C[NH+](C[C@H](O)CO)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000711820493 790748015 /nfs/dbraw/zinc/74/80/15/790748015.db2.gz JMRYDHTZPUVLAP-JKSUJKDBSA-N 2 2 294.395 -0.092 20 0 CBADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C1CC(CC(N)=O)C1 ZINC000718523056 790760765 /nfs/dbraw/zinc/76/07/65/790760765.db2.gz FOXNSDWSGIQHKW-HBIQZDMRSA-N 2 2 255.362 -0.003 20 0 CBADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]C1CC(CC(N)=O)C1 ZINC000718523059 790761248 /nfs/dbraw/zinc/76/12/48/790761248.db2.gz FOXNSDWSGIQHKW-WNYYMSAVSA-N 2 2 255.362 -0.003 20 0 CBADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)CN1CC[NH2+]CC1=O ZINC000720897704 790774816 /nfs/dbraw/zinc/77/48/16/790774816.db2.gz IDPSXTLYKBVACZ-NWDGAFQWSA-N 2 2 280.372 -0.887 20 0 CBADLP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)CN1CC[NH2+]CC1=O ZINC000720897704 790774826 /nfs/dbraw/zinc/77/48/26/790774826.db2.gz IDPSXTLYKBVACZ-NWDGAFQWSA-N 2 2 280.372 -0.887 20 0 CBADLP [NH3+]CCS(=O)(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000722236667 790792431 /nfs/dbraw/zinc/79/24/31/790792431.db2.gz DSKYHEJGVALBER-UHFFFAOYSA-N 2 2 284.385 -0.072 20 0 CBADLP CO[C@@H]1CCOC[C@H]1[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000724889802 790811919 /nfs/dbraw/zinc/81/19/19/790811919.db2.gz BCUGDKWERIBQOA-YNEHKIRRSA-N 2 2 258.362 -0.165 20 0 CBADLP CO[C@@H]1CCOC[C@H]1[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000724889802 790811933 /nfs/dbraw/zinc/81/19/33/790811933.db2.gz BCUGDKWERIBQOA-YNEHKIRRSA-N 2 2 258.362 -0.165 20 0 CBADLP O=C(C[NH+]1CCCC1)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000827831965 790869882 /nfs/dbraw/zinc/86/98/82/790869882.db2.gz QGWJSRJHTJYZQM-UHFFFAOYSA-N 2 2 283.372 -0.353 20 0 CBADLP O=C(C[NH+]1CCCC1)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000827831965 790869894 /nfs/dbraw/zinc/86/98/94/790869894.db2.gz QGWJSRJHTJYZQM-UHFFFAOYSA-N 2 2 283.372 -0.353 20 0 CBADLP O=S(=O)(CCC[NH+]1CCOCC1)NC[C@H]1CCC[NH2+]1 ZINC000828388899 790878173 /nfs/dbraw/zinc/87/81/73/790878173.db2.gz HIVVDQMSULKTGG-GFCCVEGCSA-N 2 2 291.417 -0.620 20 0 CBADLP O=S(=O)(CCC[NH+]1CCOCC1)NC[C@@H]1CCC[NH2+]1 ZINC000828388900 790878198 /nfs/dbraw/zinc/87/81/98/790878198.db2.gz HIVVDQMSULKTGG-LBPRGKRZSA-N 2 2 291.417 -0.620 20 0 CBADLP C[C@@H](CC(=O)NC[C@@]1(CO)COCC[NH2+]1)n1cc[nH+]c1 ZINC000828697024 790886789 /nfs/dbraw/zinc/88/67/89/790886789.db2.gz CWPWPWNLJBOSOK-WCQYABFASA-N 2 2 282.344 -0.699 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccon3)C2)C1 ZINC001021928777 790971603 /nfs/dbraw/zinc/97/16/03/790971603.db2.gz TXRAZVIYFLTRPK-XQQFMLRXSA-N 2 2 294.355 -0.258 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccon3)C2)C1 ZINC001021928777 790971612 /nfs/dbraw/zinc/97/16/12/790971612.db2.gz TXRAZVIYFLTRPK-XQQFMLRXSA-N 2 2 294.355 -0.258 20 0 CBADLP NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001022309799 791004544 /nfs/dbraw/zinc/00/45/44/791004544.db2.gz GGIBSYYYJLJQSH-GARJFASQSA-N 2 2 291.355 -0.832 20 0 CBADLP NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001022302429 791005356 /nfs/dbraw/zinc/00/53/56/791005356.db2.gz INHZCYGQIVZZCI-GARJFASQSA-N 2 2 291.355 -0.832 20 0 CBADLP Cc1noc([C@H](C)[NH2+]CCNC(=O)COCC[NH+](C)C)n1 ZINC001147892070 814924169 /nfs/dbraw/zinc/92/41/69/814924169.db2.gz HONSRCLQVJVFLW-JTQLQIEISA-N 2 2 299.375 -0.277 20 0 CBADLP CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001077251827 805707105 /nfs/dbraw/zinc/70/71/05/805707105.db2.gz QWHPWBSANKMUEJ-CYZMBNFOSA-N 2 2 278.356 -0.373 20 0 CBADLP CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001077251827 805707109 /nfs/dbraw/zinc/70/71/09/805707109.db2.gz QWHPWBSANKMUEJ-CYZMBNFOSA-N 2 2 278.356 -0.373 20 0 CBADLP CC(C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001077274726 805710034 /nfs/dbraw/zinc/71/00/34/805710034.db2.gz ASEJNTDGESFXMN-CHWSQXEVSA-N 2 2 296.371 -0.081 20 0 CBADLP CC(C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001077274726 805710039 /nfs/dbraw/zinc/71/00/39/805710039.db2.gz ASEJNTDGESFXMN-CHWSQXEVSA-N 2 2 296.371 -0.081 20 0 CBADLP CC1(C)CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCCO)C[C@H]2O)C1 ZINC001077678266 805765740 /nfs/dbraw/zinc/76/57/40/805765740.db2.gz UWQYFGHUMOEBLL-CHWSQXEVSA-N 2 2 299.415 -0.738 20 0 CBADLP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCCO)C[C@H]2O)C1 ZINC001077678266 805765757 /nfs/dbraw/zinc/76/57/57/805765757.db2.gz UWQYFGHUMOEBLL-CHWSQXEVSA-N 2 2 299.415 -0.738 20 0 CBADLP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCCO)C[C@H]2O)C1 ZINC001077678266 805765758 /nfs/dbraw/zinc/76/57/58/805765758.db2.gz UWQYFGHUMOEBLL-CHWSQXEVSA-N 2 2 299.415 -0.738 20 0 CBADLP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)C1 ZINC001077678266 805765765 /nfs/dbraw/zinc/76/57/65/805765765.db2.gz UWQYFGHUMOEBLL-CHWSQXEVSA-N 2 2 299.415 -0.738 20 0 CBADLP CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001078007738 805824402 /nfs/dbraw/zinc/82/44/02/805824402.db2.gz YSDZKEGVHLKSCA-VXGBXAGGSA-N 2 2 266.345 -0.466 20 0 CBADLP CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001078007738 805824411 /nfs/dbraw/zinc/82/44/11/805824411.db2.gz YSDZKEGVHLKSCA-VXGBXAGGSA-N 2 2 266.345 -0.466 20 0 CBADLP CC[C@H](F)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001078010953 805821692 /nfs/dbraw/zinc/82/16/92/805821692.db2.gz TZXFEMZVUQTHND-YNEHKIRRSA-N 2 2 299.390 -0.008 20 0 CBADLP CC[C@H](F)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001078010953 805821699 /nfs/dbraw/zinc/82/16/99/805821699.db2.gz TZXFEMZVUQTHND-YNEHKIRRSA-N 2 2 299.390 -0.008 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@H+](CC2CCC2)C[C@H]1O ZINC001078007559 805822852 /nfs/dbraw/zinc/82/28/52/805822852.db2.gz TYRODDGESNJJTM-ZIAGYGMSSA-N 2 2 292.383 -0.076 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1O ZINC001078007559 805822858 /nfs/dbraw/zinc/82/28/58/805822858.db2.gz TYRODDGESNJJTM-ZIAGYGMSSA-N 2 2 292.383 -0.076 20 0 CBADLP O=C(N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078012198 805823100 /nfs/dbraw/zinc/82/31/00/805823100.db2.gz XVBIKCOBSHYNJN-QBEVBOACSA-N 2 2 299.802 -0.004 20 0 CBADLP O=C(N[C@@H]1C[N@H+](C/C=C\Cl)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078012198 805823108 /nfs/dbraw/zinc/82/31/08/805823108.db2.gz XVBIKCOBSHYNJN-QBEVBOACSA-N 2 2 299.802 -0.004 20 0 CBADLP C[C@@H](CCNC(=O)Cc1[nH]cc[nH+]1)NC(=O)CC[NH+](C)C ZINC001078036528 805827870 /nfs/dbraw/zinc/82/78/70/805827870.db2.gz ZLGCZZWZAYXCKK-NSHDSACASA-N 2 2 295.387 -0.085 20 0 CBADLP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](C/C=C\Cl)C[C@H]2O)C1 ZINC001078175579 805850872 /nfs/dbraw/zinc/85/08/72/805850872.db2.gz BQXAXSDHJTVPDO-WEVUVTRCSA-N 2 2 287.791 -0.148 20 0 CBADLP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](C/C=C\Cl)C[C@H]2O)C1 ZINC001078175579 805850882 /nfs/dbraw/zinc/85/08/82/805850882.db2.gz BQXAXSDHJTVPDO-WEVUVTRCSA-N 2 2 287.791 -0.148 20 0 CBADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](C/C=C\Cl)C[C@H]2O)C1 ZINC001078175579 805850891 /nfs/dbraw/zinc/85/08/91/805850891.db2.gz BQXAXSDHJTVPDO-WEVUVTRCSA-N 2 2 287.791 -0.148 20 0 CBADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](C/C=C\Cl)C[C@H]2O)C1 ZINC001078175579 805850901 /nfs/dbraw/zinc/85/09/01/805850901.db2.gz BQXAXSDHJTVPDO-WEVUVTRCSA-N 2 2 287.791 -0.148 20 0 CBADLP CO[C@H](C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001078270678 805865630 /nfs/dbraw/zinc/86/56/30/805865630.db2.gz IVYXSQNUQSBBAQ-IJLUTSLNSA-N 2 2 282.344 -0.921 20 0 CBADLP CO[C@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001078270678 805865640 /nfs/dbraw/zinc/86/56/40/805865640.db2.gz IVYXSQNUQSBBAQ-IJLUTSLNSA-N 2 2 282.344 -0.921 20 0 CBADLP C[C@@H]([NH2+]CCNC(=O)Cc1c[nH+]cn1C)C(=O)NC1CC1 ZINC001147915485 814927018 /nfs/dbraw/zinc/92/70/18/814927018.db2.gz KRLDENORWQHHQR-SNVBAGLBSA-N 2 2 293.371 -0.665 20 0 CBADLP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)C[NH+]1CCC[C@@H]1C ZINC001080443093 805983794 /nfs/dbraw/zinc/98/37/94/805983794.db2.gz ZFKWFRUDIPGRCD-GRYCIOLGSA-N 2 2 282.388 -0.608 20 0 CBADLP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)C[NH+]1CCC[C@@H]1C ZINC001080443093 805983805 /nfs/dbraw/zinc/98/38/05/805983805.db2.gz ZFKWFRUDIPGRCD-GRYCIOLGSA-N 2 2 282.388 -0.608 20 0 CBADLP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001080443093 805983811 /nfs/dbraw/zinc/98/38/11/805983811.db2.gz ZFKWFRUDIPGRCD-GRYCIOLGSA-N 2 2 282.388 -0.608 20 0 CBADLP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001080443093 805983814 /nfs/dbraw/zinc/98/38/14/805983814.db2.gz ZFKWFRUDIPGRCD-GRYCIOLGSA-N 2 2 282.388 -0.608 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001080782445 806008909 /nfs/dbraw/zinc/00/89/09/806008909.db2.gz KTMLHRYQOYBLPT-JFGNBEQYSA-N 2 2 293.371 -0.727 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001080782445 806008917 /nfs/dbraw/zinc/00/89/17/806008917.db2.gz KTMLHRYQOYBLPT-JFGNBEQYSA-N 2 2 293.371 -0.727 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001081038031 806025667 /nfs/dbraw/zinc/02/56/67/806025667.db2.gz KRYMUVCKDVCUPO-IJLUTSLNSA-N 2 2 293.371 -0.417 20 0 CBADLP CC[C@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001081038031 806025679 /nfs/dbraw/zinc/02/56/79/806025679.db2.gz KRYMUVCKDVCUPO-IJLUTSLNSA-N 2 2 293.371 -0.417 20 0 CBADLP CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@H](OC)C1 ZINC001081481757 806087847 /nfs/dbraw/zinc/08/78/47/806087847.db2.gz USLVFTSYJBXZQT-JHJVBQTASA-N 2 2 285.388 -0.458 20 0 CBADLP CCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@H](OC)C1 ZINC001081481757 806087854 /nfs/dbraw/zinc/08/78/54/806087854.db2.gz USLVFTSYJBXZQT-JHJVBQTASA-N 2 2 285.388 -0.458 20 0 CBADLP CCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)[C@H](OC)C1 ZINC001081481757 806087863 /nfs/dbraw/zinc/08/78/63/806087863.db2.gz USLVFTSYJBXZQT-JHJVBQTASA-N 2 2 285.388 -0.458 20 0 CBADLP CCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)[C@H](OC)C1 ZINC001081481757 806087871 /nfs/dbraw/zinc/08/78/71/806087871.db2.gz USLVFTSYJBXZQT-JHJVBQTASA-N 2 2 285.388 -0.458 20 0 CBADLP CO[C@@H]1C[N@H+](CCCO)C[C@H]1NC(=O)[C@@H]1CCCC[NH+]1C ZINC001081855648 806128418 /nfs/dbraw/zinc/12/84/18/806128418.db2.gz NURDPMPYJKDAQT-HZSPNIEDSA-N 2 2 299.415 -0.332 20 0 CBADLP CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)[C@@H]1CCCC[NH+]1C ZINC001081855648 806128426 /nfs/dbraw/zinc/12/84/26/806128426.db2.gz NURDPMPYJKDAQT-HZSPNIEDSA-N 2 2 299.415 -0.332 20 0 CBADLP CO[C@@H]1C[NH+](CCCO)C[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001081855648 806128430 /nfs/dbraw/zinc/12/84/30/806128430.db2.gz NURDPMPYJKDAQT-HZSPNIEDSA-N 2 2 299.415 -0.332 20 0 CBADLP CO[C@@H]1C[NH+](CCCO)C[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001081855648 806128433 /nfs/dbraw/zinc/12/84/33/806128433.db2.gz NURDPMPYJKDAQT-HZSPNIEDSA-N 2 2 299.415 -0.332 20 0 CBADLP COCC[N@@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H](OC)C1 ZINC001082345942 806168580 /nfs/dbraw/zinc/16/85/80/806168580.db2.gz IWRLOXLVBUTWJR-CHWSQXEVSA-N 2 2 296.371 -0.278 20 0 CBADLP COCC[N@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H](OC)C1 ZINC001082345942 806168584 /nfs/dbraw/zinc/16/85/84/806168584.db2.gz IWRLOXLVBUTWJR-CHWSQXEVSA-N 2 2 296.371 -0.278 20 0 CBADLP CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](OC)C1 ZINC001082394963 806172840 /nfs/dbraw/zinc/17/28/40/806172840.db2.gz OWAHELHFSVDORX-JHJVBQTASA-N 2 2 296.371 -0.267 20 0 CBADLP CO[C@H](C)C[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](OC)C1 ZINC001082394963 806172846 /nfs/dbraw/zinc/17/28/46/806172846.db2.gz OWAHELHFSVDORX-JHJVBQTASA-N 2 2 296.371 -0.267 20 0 CBADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(N)=O)C1 ZINC001082796134 806194617 /nfs/dbraw/zinc/19/46/17/806194617.db2.gz UNRDYNWJQMZTSZ-HOSYDEDBSA-N 2 2 293.371 -0.490 20 0 CBADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(N)=O)C1 ZINC001082796134 806194623 /nfs/dbraw/zinc/19/46/23/806194623.db2.gz UNRDYNWJQMZTSZ-HOSYDEDBSA-N 2 2 293.371 -0.490 20 0 CBADLP CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@H]2C1 ZINC001083119379 806229745 /nfs/dbraw/zinc/22/97/45/806229745.db2.gz PWXDYCUYGHWYJV-XJFOESAGSA-N 2 2 297.399 -0.363 20 0 CBADLP CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@H]2C1 ZINC001083119379 806229753 /nfs/dbraw/zinc/22/97/53/806229753.db2.gz PWXDYCUYGHWYJV-XJFOESAGSA-N 2 2 297.399 -0.363 20 0 CBADLP CC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@H]2C1 ZINC001083119379 806229763 /nfs/dbraw/zinc/22/97/63/806229763.db2.gz PWXDYCUYGHWYJV-XJFOESAGSA-N 2 2 297.399 -0.363 20 0 CBADLP CC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@H]2C1 ZINC001083119379 806229773 /nfs/dbraw/zinc/22/97/73/806229773.db2.gz PWXDYCUYGHWYJV-XJFOESAGSA-N 2 2 297.399 -0.363 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CCO[C@@H]2C[N@@H+](CCCO)C[C@@H]21 ZINC001083206876 806239239 /nfs/dbraw/zinc/23/92/39/806239239.db2.gz XUCJSFXCGLBONK-QWHCGFSZSA-N 2 2 294.355 -0.754 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CCO[C@@H]2C[N@H+](CCCO)C[C@@H]21 ZINC001083206876 806239244 /nfs/dbraw/zinc/23/92/44/806239244.db2.gz XUCJSFXCGLBONK-QWHCGFSZSA-N 2 2 294.355 -0.754 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCC3CC3)C[C@@H]2O)C1 ZINC001083385178 806296622 /nfs/dbraw/zinc/29/66/22/806296622.db2.gz GAJAYILEUIXZRS-RDBSUJKOSA-N 2 2 297.399 -0.722 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCC3CC3)C[C@@H]2O)C1 ZINC001083385178 806296628 /nfs/dbraw/zinc/29/66/28/806296628.db2.gz GAJAYILEUIXZRS-RDBSUJKOSA-N 2 2 297.399 -0.722 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCC3CC3)C[C@@H]2O)C1 ZINC001083385178 806296633 /nfs/dbraw/zinc/29/66/33/806296633.db2.gz GAJAYILEUIXZRS-RDBSUJKOSA-N 2 2 297.399 -0.722 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCC3CC3)C[C@@H]2O)C1 ZINC001083385178 806296639 /nfs/dbraw/zinc/29/66/39/806296639.db2.gz GAJAYILEUIXZRS-RDBSUJKOSA-N 2 2 297.399 -0.722 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCC3CC3)C[C@@H]2O)C1 ZINC001083385177 806297453 /nfs/dbraw/zinc/29/74/53/806297453.db2.gz GAJAYILEUIXZRS-HZSPNIEDSA-N 2 2 297.399 -0.722 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCC3CC3)C[C@@H]2O)C1 ZINC001083385177 806297460 /nfs/dbraw/zinc/29/74/60/806297460.db2.gz GAJAYILEUIXZRS-HZSPNIEDSA-N 2 2 297.399 -0.722 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCC3CC3)C[C@@H]2O)C1 ZINC001083385177 806297470 /nfs/dbraw/zinc/29/74/70/806297470.db2.gz GAJAYILEUIXZRS-HZSPNIEDSA-N 2 2 297.399 -0.722 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCC3CC3)C[C@@H]2O)C1 ZINC001083385177 806297476 /nfs/dbraw/zinc/29/74/76/806297476.db2.gz GAJAYILEUIXZRS-HZSPNIEDSA-N 2 2 297.399 -0.722 20 0 CBADLP COCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@@H](O)C1 ZINC001083572111 806368395 /nfs/dbraw/zinc/36/83/95/806368395.db2.gz AZPQKLSYBAOUEX-UPJWGTAASA-N 2 2 285.388 -0.722 20 0 CBADLP COCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@@H](O)C1 ZINC001083572111 806368405 /nfs/dbraw/zinc/36/84/05/806368405.db2.gz AZPQKLSYBAOUEX-UPJWGTAASA-N 2 2 285.388 -0.722 20 0 CBADLP COCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)[C@@H](O)C1 ZINC001083572111 806368413 /nfs/dbraw/zinc/36/84/13/806368413.db2.gz AZPQKLSYBAOUEX-UPJWGTAASA-N 2 2 285.388 -0.722 20 0 CBADLP COCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)[C@@H](O)C1 ZINC001083572111 806368418 /nfs/dbraw/zinc/36/84/18/806368418.db2.gz AZPQKLSYBAOUEX-UPJWGTAASA-N 2 2 285.388 -0.722 20 0 CBADLP CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@@H](O)C1 ZINC001083583392 806374047 /nfs/dbraw/zinc/37/40/47/806374047.db2.gz FEHUQXAGLPWCCI-RTXFEEFZSA-N 2 2 278.356 -0.373 20 0 CBADLP CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@@H](O)C1 ZINC001083583392 806374055 /nfs/dbraw/zinc/37/40/55/806374055.db2.gz FEHUQXAGLPWCCI-RTXFEEFZSA-N 2 2 278.356 -0.373 20 0 CBADLP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[NH+](CCF)C[C@@H]2O)CC[N@@H+]1C ZINC001083727020 806416404 /nfs/dbraw/zinc/41/64/04/806416404.db2.gz HQNLAFGXJKRDSB-RVMXOQNASA-N 2 2 287.379 -0.153 20 0 CBADLP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[NH+](CCF)C[C@@H]2O)CC[N@H+]1C ZINC001083727020 806416406 /nfs/dbraw/zinc/41/64/06/806416406.db2.gz HQNLAFGXJKRDSB-RVMXOQNASA-N 2 2 287.379 -0.153 20 0 CBADLP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[N@H+](CCF)C[C@@H]2O)CC[NH+]1C ZINC001083727020 806416410 /nfs/dbraw/zinc/41/64/10/806416410.db2.gz HQNLAFGXJKRDSB-RVMXOQNASA-N 2 2 287.379 -0.153 20 0 CBADLP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[N@@H+](CCF)C[C@@H]2O)CC[NH+]1C ZINC001083727020 806416413 /nfs/dbraw/zinc/41/64/13/806416413.db2.gz HQNLAFGXJKRDSB-RVMXOQNASA-N 2 2 287.379 -0.153 20 0 CBADLP CCCC[N@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001083954077 806467331 /nfs/dbraw/zinc/46/73/31/806467331.db2.gz JTUZQPZTQBVCFL-OLZOCXBDSA-N 2 2 280.372 -0.076 20 0 CBADLP CCCC[N@@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001083954077 806467338 /nfs/dbraw/zinc/46/73/38/806467338.db2.gz JTUZQPZTQBVCFL-OLZOCXBDSA-N 2 2 280.372 -0.076 20 0 CBADLP C[C@H](F)CC[N@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001083954119 806467857 /nfs/dbraw/zinc/46/78/57/806467857.db2.gz LTWSIWFYZWASQF-UHTWSYAYSA-N 2 2 298.362 -0.128 20 0 CBADLP C[C@H](F)CC[N@@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001083954119 806467861 /nfs/dbraw/zinc/46/78/61/806467861.db2.gz LTWSIWFYZWASQF-UHTWSYAYSA-N 2 2 298.362 -0.128 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001084230680 806504257 /nfs/dbraw/zinc/50/42/57/806504257.db2.gz CULCHVXBNMGQBU-JHJVBQTASA-N 2 2 294.399 -0.641 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001084230680 806504261 /nfs/dbraw/zinc/50/42/61/806504261.db2.gz CULCHVXBNMGQBU-JHJVBQTASA-N 2 2 294.399 -0.641 20 0 CBADLP CNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001084230680 806504265 /nfs/dbraw/zinc/50/42/65/806504265.db2.gz CULCHVXBNMGQBU-JHJVBQTASA-N 2 2 294.399 -0.641 20 0 CBADLP CNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001084230680 806504270 /nfs/dbraw/zinc/50/42/70/806504270.db2.gz CULCHVXBNMGQBU-JHJVBQTASA-N 2 2 294.399 -0.641 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2CC[N@H+](CCO)C[C@H]21 ZINC001084799216 806535367 /nfs/dbraw/zinc/53/53/67/806535367.db2.gz XNXZPBGOWJEDDC-DGCLKSJQSA-N 2 2 278.356 -0.214 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2CC[N@@H+](CCO)C[C@H]21 ZINC001084799216 806535375 /nfs/dbraw/zinc/53/53/75/806535375.db2.gz XNXZPBGOWJEDDC-DGCLKSJQSA-N 2 2 278.356 -0.214 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001084831786 806537350 /nfs/dbraw/zinc/53/73/50/806537350.db2.gz ZMOYXEYWQKZULU-JHJVBQTASA-N 2 2 294.399 -0.511 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001084831786 806537354 /nfs/dbraw/zinc/53/73/54/806537354.db2.gz ZMOYXEYWQKZULU-JHJVBQTASA-N 2 2 294.399 -0.511 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(N)=O ZINC001085405950 806554715 /nfs/dbraw/zinc/55/47/15/806554715.db2.gz GMUBQAHHDAHXDP-GHMZBOCLSA-N 2 2 293.371 -0.237 20 0 CBADLP CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001085531286 806572393 /nfs/dbraw/zinc/57/23/93/806572393.db2.gz PJYURMUAMWBZEI-RYUDHWBXSA-N 2 2 255.362 -0.130 20 0 CBADLP CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001085531286 806572403 /nfs/dbraw/zinc/57/24/03/806572403.db2.gz PJYURMUAMWBZEI-RYUDHWBXSA-N 2 2 255.362 -0.130 20 0 CBADLP CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001085531286 806572410 /nfs/dbraw/zinc/57/24/10/806572410.db2.gz PJYURMUAMWBZEI-RYUDHWBXSA-N 2 2 255.362 -0.130 20 0 CBADLP CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001085531286 806572418 /nfs/dbraw/zinc/57/24/18/806572418.db2.gz PJYURMUAMWBZEI-RYUDHWBXSA-N 2 2 255.362 -0.130 20 0 CBADLP COCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001085531086 806573531 /nfs/dbraw/zinc/57/35/31/806573531.db2.gz MDBHFYMJSTUKBS-QWHCGFSZSA-N 2 2 285.388 -0.504 20 0 CBADLP COCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001085531086 806573539 /nfs/dbraw/zinc/57/35/39/806573539.db2.gz MDBHFYMJSTUKBS-QWHCGFSZSA-N 2 2 285.388 -0.504 20 0 CBADLP COCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001085531086 806573551 /nfs/dbraw/zinc/57/35/51/806573551.db2.gz MDBHFYMJSTUKBS-QWHCGFSZSA-N 2 2 285.388 -0.504 20 0 CBADLP COCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001085531086 806573558 /nfs/dbraw/zinc/57/35/58/806573558.db2.gz MDBHFYMJSTUKBS-QWHCGFSZSA-N 2 2 285.388 -0.504 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C[C@H]2CC[NH+]2CCO)O1 ZINC001085670809 806593412 /nfs/dbraw/zinc/59/34/12/806593412.db2.gz FXJZIJLJJFSOFU-JHJVBQTASA-N 2 2 285.388 -0.770 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C[C@H]2CC[NH+]2CCO)O1 ZINC001085670809 806593421 /nfs/dbraw/zinc/59/34/21/806593421.db2.gz FXJZIJLJJFSOFU-JHJVBQTASA-N 2 2 285.388 -0.770 20 0 CBADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)C[C@H]2CC[N@@H+]2CCO)O1 ZINC001085670809 806593425 /nfs/dbraw/zinc/59/34/25/806593425.db2.gz FXJZIJLJJFSOFU-JHJVBQTASA-N 2 2 285.388 -0.770 20 0 CBADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)C[C@H]2CC[N@H+]2CCO)O1 ZINC001085670809 806593432 /nfs/dbraw/zinc/59/34/32/806593432.db2.gz FXJZIJLJJFSOFU-JHJVBQTASA-N 2 2 285.388 -0.770 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)N(C)C[C@H]2CC[NH+]2CCOC)C1 ZINC001085980273 806628891 /nfs/dbraw/zinc/62/88/91/806628891.db2.gz MMOZTQZAJZGQKZ-KGLIPLIRSA-N 2 2 299.415 -0.114 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)N(C)C[C@H]2CC[NH+]2CCOC)C1 ZINC001085980273 806628896 /nfs/dbraw/zinc/62/88/96/806628896.db2.gz MMOZTQZAJZGQKZ-KGLIPLIRSA-N 2 2 299.415 -0.114 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)N(C)C[C@H]2CC[N@@H+]2CCOC)C1 ZINC001085980273 806628900 /nfs/dbraw/zinc/62/89/00/806628900.db2.gz MMOZTQZAJZGQKZ-KGLIPLIRSA-N 2 2 299.415 -0.114 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)N(C)C[C@H]2CC[N@H+]2CCOC)C1 ZINC001085980273 806628907 /nfs/dbraw/zinc/62/89/07/806628907.db2.gz MMOZTQZAJZGQKZ-KGLIPLIRSA-N 2 2 299.415 -0.114 20 0 CBADLP C[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001022776124 798841116 /nfs/dbraw/zinc/84/11/16/798841116.db2.gz UIAAPSVSUSNVAY-LPEHRKFASA-N 2 2 252.318 -0.430 20 0 CBADLP CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1)C(N)=O ZINC001022775985 798841178 /nfs/dbraw/zinc/84/11/78/798841178.db2.gz RFVWFJPHRZEWMM-NGZCFLSTSA-N 2 2 279.344 -0.547 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@@H]([NH2+]CCn2cncn2)C1 ZINC001022889695 798863778 /nfs/dbraw/zinc/86/37/78/798863778.db2.gz WCPCQRJFFSFWTJ-PHIMTYICSA-N 2 2 289.343 -0.519 20 0 CBADLP CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1)C(N)=O ZINC001023025125 798874084 /nfs/dbraw/zinc/87/40/84/798874084.db2.gz WRHVUQUGOPYNSF-OUAUKWLOSA-N 2 2 293.371 -0.239 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001023024652 798874839 /nfs/dbraw/zinc/87/48/39/798874839.db2.gz DHVYIPTYCNQKOJ-LPEHRKFASA-N 2 2 279.344 -0.629 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001023159038 798887341 /nfs/dbraw/zinc/88/73/41/798887341.db2.gz OKCBWBDOLINKHZ-TUAOUCFPSA-N 2 2 291.355 -0.602 20 0 CBADLP NC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001024760951 798947463 /nfs/dbraw/zinc/94/74/63/798947463.db2.gz ZYMZQEXBROIKSZ-LBPRGKRZSA-N 2 2 294.399 -0.462 20 0 CBADLP NC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001024760951 798947466 /nfs/dbraw/zinc/94/74/66/798947466.db2.gz ZYMZQEXBROIKSZ-LBPRGKRZSA-N 2 2 294.399 -0.462 20 0 CBADLP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCCC[NH+]2CC(N)=O)C1 ZINC001024800395 798947551 /nfs/dbraw/zinc/94/75/51/798947551.db2.gz DTZOUKQKYMKBFE-RYUDHWBXSA-N 2 2 282.388 -0.606 20 0 CBADLP C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCCC[NH+]2CC(N)=O)C1 ZINC001024800395 798947555 /nfs/dbraw/zinc/94/75/55/798947555.db2.gz DTZOUKQKYMKBFE-RYUDHWBXSA-N 2 2 282.388 -0.606 20 0 CBADLP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CCCC[N@@H+]2CC(N)=O)C1 ZINC001024800395 798947560 /nfs/dbraw/zinc/94/75/60/798947560.db2.gz DTZOUKQKYMKBFE-RYUDHWBXSA-N 2 2 282.388 -0.606 20 0 CBADLP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CCCC[N@H+]2CC(N)=O)C1 ZINC001024800395 798947562 /nfs/dbraw/zinc/94/75/62/798947562.db2.gz DTZOUKQKYMKBFE-RYUDHWBXSA-N 2 2 282.388 -0.606 20 0 CBADLP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCC[NH+]2CC(N)=O)C1 ZINC001024800389 798947728 /nfs/dbraw/zinc/94/77/28/798947728.db2.gz DTZOUKQKYMKBFE-NEPJUHHUSA-N 2 2 282.388 -0.606 20 0 CBADLP C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCC[NH+]2CC(N)=O)C1 ZINC001024800389 798947730 /nfs/dbraw/zinc/94/77/30/798947730.db2.gz DTZOUKQKYMKBFE-NEPJUHHUSA-N 2 2 282.388 -0.606 20 0 CBADLP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CCCC[N@@H+]2CC(N)=O)C1 ZINC001024800389 798947733 /nfs/dbraw/zinc/94/77/33/798947733.db2.gz DTZOUKQKYMKBFE-NEPJUHHUSA-N 2 2 282.388 -0.606 20 0 CBADLP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CCCC[N@H+]2CC(N)=O)C1 ZINC001024800389 798947734 /nfs/dbraw/zinc/94/77/34/798947734.db2.gz DTZOUKQKYMKBFE-NEPJUHHUSA-N 2 2 282.388 -0.606 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC1CCC([NH2+]CCO)CC1 ZINC001026568591 799009170 /nfs/dbraw/zinc/00/91/70/799009170.db2.gz NXNASHPULYTYSB-UHFFFAOYSA-N 2 2 266.345 -0.039 20 0 CBADLP C[C@H]([NH2+]C1CCC(NC(=O)Cc2[nH]cc[nH+]2)CC1)C(N)=O ZINC001026583527 799009660 /nfs/dbraw/zinc/00/96/60/799009660.db2.gz XBLVJDKCIWHBCU-WHXUTIOJSA-N 2 2 293.371 -0.157 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC1CCC([NH2+]CC(N)=O)CC1 ZINC001026592425 799011826 /nfs/dbraw/zinc/01/18/26/799011826.db2.gz AELZEKAMNXXGGN-UHFFFAOYSA-N 2 2 293.371 -0.535 20 0 CBADLP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CC(N)=O ZINC001027917428 799092908 /nfs/dbraw/zinc/09/29/08/799092908.db2.gz AYYYUJNDFQPJEC-CHWSQXEVSA-N 2 2 296.415 -0.073 20 0 CBADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CC(N)=O ZINC001027917428 799092891 /nfs/dbraw/zinc/09/28/91/799092891.db2.gz AYYYUJNDFQPJEC-CHWSQXEVSA-N 2 2 296.415 -0.073 20 0 CBADLP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CC(N)=O ZINC001027917428 799092896 /nfs/dbraw/zinc/09/28/96/799092896.db2.gz AYYYUJNDFQPJEC-CHWSQXEVSA-N 2 2 296.415 -0.073 20 0 CBADLP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC(N)=O ZINC001027917428 799092902 /nfs/dbraw/zinc/09/29/02/799092902.db2.gz AYYYUJNDFQPJEC-CHWSQXEVSA-N 2 2 296.415 -0.073 20 0 CBADLP C[NH+](C)Cc1cc(C(=O)NC[C@H]2CCC[N@@H+]2CCO)no1 ZINC001027983957 799098493 /nfs/dbraw/zinc/09/84/93/799098493.db2.gz HBPGHRHNDHZEDE-LLVKDONJSA-N 2 2 296.371 -0.077 20 0 CBADLP C[NH+](C)Cc1cc(C(=O)NC[C@H]2CCC[N@H+]2CCO)no1 ZINC001027983957 799098502 /nfs/dbraw/zinc/09/85/02/799098502.db2.gz HBPGHRHNDHZEDE-LLVKDONJSA-N 2 2 296.371 -0.077 20 0 CBADLP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CC(N)=O ZINC001027971762 799100309 /nfs/dbraw/zinc/10/03/09/799100309.db2.gz LSBMEJSRDCFVKH-VXGBXAGGSA-N 2 2 282.388 -0.463 20 0 CBADLP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CC(N)=O ZINC001027971762 799100313 /nfs/dbraw/zinc/10/03/13/799100313.db2.gz LSBMEJSRDCFVKH-VXGBXAGGSA-N 2 2 282.388 -0.463 20 0 CBADLP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC(N)=O ZINC001027971762 799100316 /nfs/dbraw/zinc/10/03/16/799100316.db2.gz LSBMEJSRDCFVKH-VXGBXAGGSA-N 2 2 282.388 -0.463 20 0 CBADLP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CC(N)=O ZINC001027971762 799100322 /nfs/dbraw/zinc/10/03/22/799100322.db2.gz LSBMEJSRDCFVKH-VXGBXAGGSA-N 2 2 282.388 -0.463 20 0 CBADLP CC[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)C(N)=O)[NH+](C)C ZINC001029477485 799200619 /nfs/dbraw/zinc/20/06/19/799200619.db2.gz FZGRYHPWKVTTBV-NDBYEHHHSA-N 2 2 296.415 -0.124 20 0 CBADLP CC[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(N)=O)[NH+](C)C ZINC001029477485 799200622 /nfs/dbraw/zinc/20/06/22/799200622.db2.gz FZGRYHPWKVTTBV-NDBYEHHHSA-N 2 2 296.415 -0.124 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)NC2C[NH+](CC3CCOCC3)C2)C1 ZINC001030180411 799257638 /nfs/dbraw/zinc/25/76/38/799257638.db2.gz RDCNNJYYZADNOO-CQSZACIVSA-N 2 2 297.399 -0.456 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)NC2C[NH+](CC3CCOCC3)C2)C1 ZINC001030180411 799257643 /nfs/dbraw/zinc/25/76/43/799257643.db2.gz RDCNNJYYZADNOO-CQSZACIVSA-N 2 2 297.399 -0.456 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)NC2C[NH+](C[C@@H]3CCCOC3)C2)C1 ZINC001030183170 799259271 /nfs/dbraw/zinc/25/92/71/799259271.db2.gz PRDVMZRPIUQKFH-JSGCOSHPSA-N 2 2 297.399 -0.456 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)NC2C[NH+](C[C@@H]3CCCOC3)C2)C1 ZINC001030183170 799259277 /nfs/dbraw/zinc/25/92/77/799259277.db2.gz PRDVMZRPIUQKFH-JSGCOSHPSA-N 2 2 297.399 -0.456 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)NC2C[NH+](CC[C@@H]3CCOC3)C2)C1 ZINC001030185105 799260698 /nfs/dbraw/zinc/26/06/98/799260698.db2.gz ZMHHMLCQTRKGOJ-TZMCWYRMSA-N 2 2 297.399 -0.456 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)NC2C[NH+](CC[C@@H]3CCOC3)C2)C1 ZINC001030185105 799260702 /nfs/dbraw/zinc/26/07/02/799260702.db2.gz ZMHHMLCQTRKGOJ-TZMCWYRMSA-N 2 2 297.399 -0.456 20 0 CBADLP O=C(NC1C[NH+](CCO)C1)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001030306137 799293753 /nfs/dbraw/zinc/29/37/53/799293753.db2.gz KSOGIOBNWSZNOQ-YPMHNXCESA-N 2 2 267.373 -0.347 20 0 CBADLP O=C(NC1C[NH+](CCO)C1)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001030306137 799293759 /nfs/dbraw/zinc/29/37/59/799293759.db2.gz KSOGIOBNWSZNOQ-YPMHNXCESA-N 2 2 267.373 -0.347 20 0 CBADLP C[C@H](O)C[NH+]1CC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001030335824 799298421 /nfs/dbraw/zinc/29/84/21/799298421.db2.gz DKYPXTMLMLVIDL-HOSYDEDBSA-N 2 2 255.362 -0.492 20 0 CBADLP C[C@H](O)C[NH+]1CC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001030335824 799298423 /nfs/dbraw/zinc/29/84/23/799298423.db2.gz DKYPXTMLMLVIDL-HOSYDEDBSA-N 2 2 255.362 -0.492 20 0 CBADLP C[C@@H]1[C@H](C(=O)NC2C[NH+](CCCO)C2)CC[N@@H+]1C ZINC001030336719 799298496 /nfs/dbraw/zinc/29/84/96/799298496.db2.gz QBPKGSFTEBNPEZ-ZYHUDNBSSA-N 2 2 255.362 -0.491 20 0 CBADLP C[C@@H]1[C@H](C(=O)NC2C[NH+](CCCO)C2)CC[N@H+]1C ZINC001030336719 799298500 /nfs/dbraw/zinc/29/85/00/799298500.db2.gz QBPKGSFTEBNPEZ-ZYHUDNBSSA-N 2 2 255.362 -0.491 20 0 CBADLP COCC[NH+]1CC(NC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001030345696 799299932 /nfs/dbraw/zinc/29/99/32/799299932.db2.gz GDXQVHKATUQBBO-QWHCGFSZSA-N 2 2 283.372 -0.704 20 0 CBADLP COCC[NH+]1CC(NC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001030345696 799299937 /nfs/dbraw/zinc/29/99/37/799299937.db2.gz GDXQVHKATUQBBO-QWHCGFSZSA-N 2 2 283.372 -0.704 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2C[NH+](CC3CC3)C2)O1 ZINC001030516113 799330125 /nfs/dbraw/zinc/33/01/25/799330125.db2.gz UGWWBWTZGODWIC-ZWNOBZJWSA-N 2 2 267.373 -0.084 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2C[NH+](CC3CC3)C2)O1 ZINC001030516113 799330133 /nfs/dbraw/zinc/33/01/33/799330133.db2.gz UGWWBWTZGODWIC-ZWNOBZJWSA-N 2 2 267.373 -0.084 20 0 CBADLP C[C@H](O)C[NH+]1CC(NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001030959189 799417270 /nfs/dbraw/zinc/41/72/70/799417270.db2.gz FIOJWWXVUWOZBS-MNOVXSKESA-N 2 2 255.362 -0.491 20 0 CBADLP C[C@H](O)C[NH+]1CC(NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001030959189 799417272 /nfs/dbraw/zinc/41/72/72/799417272.db2.gz FIOJWWXVUWOZBS-MNOVXSKESA-N 2 2 255.362 -0.491 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC1CN(Cc2c[nH+]cn2C)C1 ZINC001030959957 799418197 /nfs/dbraw/zinc/41/81/97/799418197.db2.gz HFVXXWSIDGZOAV-BXUZGUMPSA-N 2 2 291.399 -0.082 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CN(Cc2c[nH+]cn2C)C1 ZINC001030959957 799418199 /nfs/dbraw/zinc/41/81/99/799418199.db2.gz HFVXXWSIDGZOAV-BXUZGUMPSA-N 2 2 291.399 -0.082 20 0 CBADLP C[C@@H](O)C[NH+]1CC(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001031142544 799449250 /nfs/dbraw/zinc/44/92/50/799449250.db2.gz CFTJZYXYOPOBGR-GFCCVEGCSA-N 2 2 269.389 -0.101 20 0 CBADLP C[N@@H+]1CC[C@@H](CC(=O)NC2C[NH+](CCCO)C2)C1 ZINC001031259854 799465423 /nfs/dbraw/zinc/46/54/23/799465423.db2.gz HOMXGAKSZUXMCO-NSHDSACASA-N 2 2 255.362 -0.489 20 0 CBADLP C[N@H+]1CC[C@@H](CC(=O)NC2C[NH+](CCCO)C2)C1 ZINC001031259854 799465425 /nfs/dbraw/zinc/46/54/25/799465425.db2.gz HOMXGAKSZUXMCO-NSHDSACASA-N 2 2 255.362 -0.489 20 0 CBADLP C[C@@H](O)C[NH+]1CC(NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001031267418 799467824 /nfs/dbraw/zinc/46/78/24/799467824.db2.gz GTIXRHYMLCPZBV-SNVBAGLBSA-N 2 2 278.356 -0.058 20 0 CBADLP Cn1cc(CC[NH+]2CC(NC(=O)[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC001031384766 799481402 /nfs/dbraw/zinc/48/14/02/799481402.db2.gz LHABOTUARBTXST-ZDUSSCGKSA-N 2 2 291.399 -0.285 20 0 CBADLP Cn1cc(CC[NH+]2CC(NC(=O)[C@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001031384766 799481406 /nfs/dbraw/zinc/48/14/06/799481406.db2.gz LHABOTUARBTXST-ZDUSSCGKSA-N 2 2 291.399 -0.285 20 0 CBADLP CO[C@@H](C)C[NH+]1CC(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001031386077 799482156 /nfs/dbraw/zinc/48/21/56/799482156.db2.gz WXJUBNQRPGWLMY-QWRGUYRKSA-N 2 2 255.362 -0.227 20 0 CBADLP CO[C@@H](C)C[NH+]1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001031386077 799482157 /nfs/dbraw/zinc/48/21/57/799482157.db2.gz WXJUBNQRPGWLMY-QWRGUYRKSA-N 2 2 255.362 -0.227 20 0 CBADLP CN(C)C(=O)C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001031580546 799511977 /nfs/dbraw/zinc/51/19/77/799511977.db2.gz VTTHZZNGBHBBSZ-LBPRGKRZSA-N 2 2 282.388 -0.783 20 0 CBADLP CN(C)C(=O)C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001031580546 799511980 /nfs/dbraw/zinc/51/19/80/799511980.db2.gz VTTHZZNGBHBBSZ-LBPRGKRZSA-N 2 2 282.388 -0.783 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CC(=O)NC2CC2)C1 ZINC001031580487 799512681 /nfs/dbraw/zinc/51/26/81/799512681.db2.gz TUMWYKIKVKURRX-CYBMUJFWSA-N 2 2 294.399 -0.593 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CC(=O)NC2CC2)C1 ZINC001031580487 799512683 /nfs/dbraw/zinc/51/26/83/799512683.db2.gz TUMWYKIKVKURRX-CYBMUJFWSA-N 2 2 294.399 -0.593 20 0 CBADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001031667151 799530149 /nfs/dbraw/zinc/53/01/49/799530149.db2.gz ZSSMUNBPANCKBK-GFCCVEGCSA-N 2 2 282.388 -0.608 20 0 CBADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001031667151 799530152 /nfs/dbraw/zinc/53/01/52/799530152.db2.gz ZSSMUNBPANCKBK-GFCCVEGCSA-N 2 2 282.388 -0.608 20 0 CBADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001031665657 799530854 /nfs/dbraw/zinc/53/08/54/799530854.db2.gz CVJTWDGJLTYXAP-WCQYABFASA-N 2 2 296.415 -0.219 20 0 CBADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001031665657 799530862 /nfs/dbraw/zinc/53/08/62/799530862.db2.gz CVJTWDGJLTYXAP-WCQYABFASA-N 2 2 296.415 -0.219 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+]([C@@H](C)C(N)=O)C2)CC[N@@H+]1C ZINC001031683877 799531585 /nfs/dbraw/zinc/53/15/85/799531585.db2.gz ARBXXXCKXZSNBY-WCFLWFBJSA-N 2 2 296.415 -0.362 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+]([C@@H](C)C(N)=O)C2)CC[N@H+]1C ZINC001031683877 799531588 /nfs/dbraw/zinc/53/15/88/799531588.db2.gz ARBXXXCKXZSNBY-WCFLWFBJSA-N 2 2 296.415 -0.362 20 0 CBADLP O=C(NCC1C[NH+](CCF)C1)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001031688687 799533868 /nfs/dbraw/zinc/53/38/68/799533868.db2.gz IXRGAASRMJFQSI-QWHCGFSZSA-N 2 2 285.363 -0.133 20 0 CBADLP O=C(NCC1C[NH+](CCF)C1)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001031688687 799533871 /nfs/dbraw/zinc/53/38/71/799533871.db2.gz IXRGAASRMJFQSI-QWHCGFSZSA-N 2 2 285.363 -0.133 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001031772010 799541922 /nfs/dbraw/zinc/54/19/22/799541922.db2.gz LITIPKGUDITQBB-ZYHUDNBSSA-N 2 2 282.388 -0.608 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001031772010 799541924 /nfs/dbraw/zinc/54/19/24/799541924.db2.gz LITIPKGUDITQBB-ZYHUDNBSSA-N 2 2 282.388 -0.608 20 0 CBADLP CN(C)C(=O)C[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001031776195 799542656 /nfs/dbraw/zinc/54/26/56/799542656.db2.gz GYCXJPWGEXLSCQ-ZDUSSCGKSA-N 2 2 296.415 -0.393 20 0 CBADLP CN(C)C(=O)C[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001031776195 799542661 /nfs/dbraw/zinc/54/26/61/799542661.db2.gz GYCXJPWGEXLSCQ-ZDUSSCGKSA-N 2 2 296.415 -0.393 20 0 CBADLP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001031776821 799542767 /nfs/dbraw/zinc/54/27/67/799542767.db2.gz OYICLLJBPMAGIA-LLVKDONJSA-N 2 2 268.361 -0.996 20 0 CBADLP C[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001031776821 799542769 /nfs/dbraw/zinc/54/27/69/799542769.db2.gz OYICLLJBPMAGIA-LLVKDONJSA-N 2 2 268.361 -0.996 20 0 CBADLP CC[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001031772466 799542803 /nfs/dbraw/zinc/54/28/03/799542803.db2.gz VQDCUAWCADQLAM-CHWSQXEVSA-N 2 2 296.415 -0.217 20 0 CBADLP CC[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001031772466 799542805 /nfs/dbraw/zinc/54/28/05/799542805.db2.gz VQDCUAWCADQLAM-CHWSQXEVSA-N 2 2 296.415 -0.217 20 0 CBADLP CNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001031776402 799542976 /nfs/dbraw/zinc/54/29/76/799542976.db2.gz JPVUCBODMXDNJO-YPMHNXCESA-N 2 2 296.415 -0.347 20 0 CBADLP CNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001031776402 799542978 /nfs/dbraw/zinc/54/29/78/799542978.db2.gz JPVUCBODMXDNJO-YPMHNXCESA-N 2 2 296.415 -0.347 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CC(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001031947217 799565409 /nfs/dbraw/zinc/56/54/09/799565409.db2.gz CQWKOUUQYVBLNJ-SNVBAGLBSA-N 2 2 282.388 -0.750 20 0 CBADLP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001032027554 799572981 /nfs/dbraw/zinc/57/29/81/799572981.db2.gz UZHRRZPDZJDYPS-ZDUSSCGKSA-N 2 2 296.415 -0.217 20 0 CBADLP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001032027554 799572985 /nfs/dbraw/zinc/57/29/85/799572985.db2.gz UZHRRZPDZJDYPS-ZDUSSCGKSA-N 2 2 296.415 -0.217 20 0 CBADLP NC(=O)C[NH+]1CC(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001032044721 799575067 /nfs/dbraw/zinc/57/50/67/799575067.db2.gz ZEVDNNHEWZTUQY-CHWSQXEVSA-N 2 2 294.399 -0.463 20 0 CBADLP NC(=O)C[NH+]1CC(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001032044721 799575068 /nfs/dbraw/zinc/57/50/68/799575068.db2.gz ZEVDNNHEWZTUQY-CHWSQXEVSA-N 2 2 294.399 -0.463 20 0 CBADLP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCC2C[NH+](CC(N)=O)C2)C1 ZINC001032128639 799584791 /nfs/dbraw/zinc/58/47/91/799584791.db2.gz IUXQNFNVJWHHQN-QWHCGFSZSA-N 2 2 296.415 -0.360 20 0 CBADLP Cn1nccc1C[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001032182554 799591098 /nfs/dbraw/zinc/59/10/98/799591098.db2.gz NGXCWVXYNWIOCH-CYBMUJFWSA-N 2 2 291.399 -0.080 20 0 CBADLP Cn1nccc1C[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001032182554 799591099 /nfs/dbraw/zinc/59/10/99/799591099.db2.gz NGXCWVXYNWIOCH-CYBMUJFWSA-N 2 2 291.399 -0.080 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)NCC2C[NH+](CCF)C2)C1 ZINC001032202373 799594402 /nfs/dbraw/zinc/59/44/02/799594402.db2.gz RFHRQCVVQKALQB-LBPRGKRZSA-N 2 2 273.352 -0.275 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)NCC2C[NH+](CCF)C2)C1 ZINC001032202373 799594406 /nfs/dbraw/zinc/59/44/06/799594406.db2.gz RFHRQCVVQKALQB-LBPRGKRZSA-N 2 2 273.352 -0.275 20 0 CBADLP O=C([C@@H]1CCn2c[nH+]cc2C1)N1C[C@@H]2C[C@H]1C[N@H+]2CCO ZINC001032483259 799633160 /nfs/dbraw/zinc/63/31/60/799633160.db2.gz XDYCAAUHQHPLQQ-XBFCOCLRSA-N 2 2 290.367 -0.277 20 0 CBADLP O=C([C@@H]1CCn2c[nH+]cc2C1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCO ZINC001032483259 799633163 /nfs/dbraw/zinc/63/31/63/799633163.db2.gz XDYCAAUHQHPLQQ-XBFCOCLRSA-N 2 2 290.367 -0.277 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCO ZINC001032733304 799662379 /nfs/dbraw/zinc/66/23/79/799662379.db2.gz PNDYHGGHHCGUEW-STQMWFEESA-N 2 2 278.356 -0.370 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCCO ZINC001032733304 799662382 /nfs/dbraw/zinc/66/23/82/799662382.db2.gz PNDYHGGHHCGUEW-STQMWFEESA-N 2 2 278.356 -0.370 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCO ZINC001032754849 799663818 /nfs/dbraw/zinc/66/38/18/799663818.db2.gz SJLPREDMADGWSD-RYUDHWBXSA-N 2 2 278.356 -0.072 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCCO ZINC001032754849 799663823 /nfs/dbraw/zinc/66/38/23/799663823.db2.gz SJLPREDMADGWSD-RYUDHWBXSA-N 2 2 278.356 -0.072 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCO ZINC001032784033 799668629 /nfs/dbraw/zinc/66/86/29/799668629.db2.gz DQRDGHNKFYPGNB-STQMWFEESA-N 2 2 278.356 -0.141 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCCO ZINC001032784033 799668636 /nfs/dbraw/zinc/66/86/36/799668636.db2.gz DQRDGHNKFYPGNB-STQMWFEESA-N 2 2 278.356 -0.141 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001032829795 799673347 /nfs/dbraw/zinc/67/33/47/799673347.db2.gz VJDXVQMDZBBDHE-SRVKXCTJSA-N 2 2 282.388 -0.465 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001032829795 799673350 /nfs/dbraw/zinc/67/33/50/799673350.db2.gz VJDXVQMDZBBDHE-SRVKXCTJSA-N 2 2 282.388 -0.465 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001032829795 799673352 /nfs/dbraw/zinc/67/33/52/799673352.db2.gz VJDXVQMDZBBDHE-SRVKXCTJSA-N 2 2 282.388 -0.465 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001032829795 799673356 /nfs/dbraw/zinc/67/33/56/799673356.db2.gz VJDXVQMDZBBDHE-SRVKXCTJSA-N 2 2 282.388 -0.465 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001032829752 799674169 /nfs/dbraw/zinc/67/41/69/799674169.db2.gz GTCMUQYDWMMZGA-AGIUHOORSA-N 2 2 296.415 -0.204 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001032829752 799674173 /nfs/dbraw/zinc/67/41/73/799674173.db2.gz GTCMUQYDWMMZGA-AGIUHOORSA-N 2 2 296.415 -0.204 20 0 CBADLP CNC(=O)[C@@H](C)[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001032829752 799674175 /nfs/dbraw/zinc/67/41/75/799674175.db2.gz GTCMUQYDWMMZGA-AGIUHOORSA-N 2 2 296.415 -0.204 20 0 CBADLP CNC(=O)[C@@H](C)[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001032829752 799674178 /nfs/dbraw/zinc/67/41/78/799674178.db2.gz GTCMUQYDWMMZGA-AGIUHOORSA-N 2 2 296.415 -0.204 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+]([C@H]2CCCNC2=O)C1 ZINC001032828415 799674416 /nfs/dbraw/zinc/67/44/16/799674416.db2.gz AGORCXCDOOSVGC-XQQFMLRXSA-N 2 2 294.399 -0.450 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+]([C@H]2CCCNC2=O)C1 ZINC001032828415 799674420 /nfs/dbraw/zinc/67/44/20/799674420.db2.gz AGORCXCDOOSVGC-XQQFMLRXSA-N 2 2 294.399 -0.450 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC001032828415 799674424 /nfs/dbraw/zinc/67/44/24/799674424.db2.gz AGORCXCDOOSVGC-XQQFMLRXSA-N 2 2 294.399 -0.450 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001032828415 799674428 /nfs/dbraw/zinc/67/44/28/799674428.db2.gz AGORCXCDOOSVGC-XQQFMLRXSA-N 2 2 294.399 -0.450 20 0 CBADLP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001032967710 799698831 /nfs/dbraw/zinc/69/88/31/799698831.db2.gz KGWVLOMHODGVCU-MNOVXSKESA-N 2 2 268.361 -0.901 20 0 CBADLP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001032967710 799698834 /nfs/dbraw/zinc/69/88/34/799698834.db2.gz KGWVLOMHODGVCU-MNOVXSKESA-N 2 2 268.361 -0.901 20 0 CBADLP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001032967710 799698835 /nfs/dbraw/zinc/69/88/35/799698835.db2.gz KGWVLOMHODGVCU-MNOVXSKESA-N 2 2 268.361 -0.901 20 0 CBADLP CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001032967710 799698840 /nfs/dbraw/zinc/69/88/40/799698840.db2.gz KGWVLOMHODGVCU-MNOVXSKESA-N 2 2 268.361 -0.901 20 0 CBADLP CN(C(=O)[C@H]1CCn2c[nH+]cc2C1)[C@H]1CC[N@H+](CCO)C1 ZINC001033208550 799726923 /nfs/dbraw/zinc/72/69/23/799726923.db2.gz POVMPNXTIIOKGB-STQMWFEESA-N 2 2 292.383 -0.030 20 0 CBADLP CN(C(=O)[C@H]1CCn2c[nH+]cc2C1)[C@H]1CC[N@@H+](CCO)C1 ZINC001033208550 799726928 /nfs/dbraw/zinc/72/69/28/799726928.db2.gz POVMPNXTIIOKGB-STQMWFEESA-N 2 2 292.383 -0.030 20 0 CBADLP CN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1CC[N@H+](CCO)C1 ZINC001033213329 799728134 /nfs/dbraw/zinc/72/81/34/799728134.db2.gz ZUVYXAJKEWLHNK-CHWSQXEVSA-N 2 2 292.383 -0.030 20 0 CBADLP CN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1CC[N@@H+](CCO)C1 ZINC001033213329 799728137 /nfs/dbraw/zinc/72/81/37/799728137.db2.gz ZUVYXAJKEWLHNK-CHWSQXEVSA-N 2 2 292.383 -0.030 20 0 CBADLP CN(C(=O)CC1CC[NH+](C)CC1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033475332 799757325 /nfs/dbraw/zinc/75/73/25/799757325.db2.gz OMZVBAWPMYKCDP-ZDUSSCGKSA-N 2 2 296.415 -0.264 20 0 CBADLP CN(C(=O)CC1CC[NH+](C)CC1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033475332 799757328 /nfs/dbraw/zinc/75/73/28/799757328.db2.gz OMZVBAWPMYKCDP-ZDUSSCGKSA-N 2 2 296.415 -0.264 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@H]1CC[N@H+](CCO)C1 ZINC001033625788 799771929 /nfs/dbraw/zinc/77/19/29/799771929.db2.gz UZZXMRLIFNZVGI-NSHDSACASA-N 2 2 266.345 -0.214 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@H]1CC[N@@H+](CCO)C1 ZINC001033625788 799771936 /nfs/dbraw/zinc/77/19/36/799771936.db2.gz UZZXMRLIFNZVGI-NSHDSACASA-N 2 2 266.345 -0.214 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033659509 799778993 /nfs/dbraw/zinc/77/89/93/799778993.db2.gz YAFCPYDDKWGCCC-NWDGAFQWSA-N 2 2 282.388 -0.511 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033659509 799778994 /nfs/dbraw/zinc/77/89/94/799778994.db2.gz YAFCPYDDKWGCCC-NWDGAFQWSA-N 2 2 282.388 -0.511 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001033665247 799779142 /nfs/dbraw/zinc/77/91/42/799779142.db2.gz MWWVOXCLPLCBAV-GFCCVEGCSA-N 2 2 293.371 -0.530 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001033665247 799779148 /nfs/dbraw/zinc/77/91/48/799779148.db2.gz MWWVOXCLPLCBAV-GFCCVEGCSA-N 2 2 293.371 -0.530 20 0 CBADLP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001033684384 799779952 /nfs/dbraw/zinc/77/99/52/799779952.db2.gz DYVJVHDHCJNHBL-OLZOCXBDSA-N 2 2 296.415 -0.121 20 0 CBADLP CC[N@H+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001033684384 799779954 /nfs/dbraw/zinc/77/99/54/799779954.db2.gz DYVJVHDHCJNHBL-OLZOCXBDSA-N 2 2 296.415 -0.121 20 0 CBADLP CC[NH+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033684384 799779956 /nfs/dbraw/zinc/77/99/56/799779956.db2.gz DYVJVHDHCJNHBL-OLZOCXBDSA-N 2 2 296.415 -0.121 20 0 CBADLP CC[NH+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033684384 799779958 /nfs/dbraw/zinc/77/99/58/799779958.db2.gz DYVJVHDHCJNHBL-OLZOCXBDSA-N 2 2 296.415 -0.121 20 0 CBADLP C[C@@H](O)C[N@@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001033701392 799782646 /nfs/dbraw/zinc/78/26/46/799782646.db2.gz CTVJVSCDRVPLBZ-NEPJUHHUSA-N 2 2 266.345 -0.203 20 0 CBADLP C[C@@H](O)C[N@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001033701392 799782651 /nfs/dbraw/zinc/78/26/51/799782651.db2.gz CTVJVSCDRVPLBZ-NEPJUHHUSA-N 2 2 266.345 -0.203 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001033704627 799783252 /nfs/dbraw/zinc/78/32/52/799783252.db2.gz YPQUUTQVVPBMAQ-NWDGAFQWSA-N 2 2 293.371 -0.450 20 0 CBADLP CNC(=O)[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001033704627 799783254 /nfs/dbraw/zinc/78/32/54/799783254.db2.gz YPQUUTQVVPBMAQ-NWDGAFQWSA-N 2 2 293.371 -0.450 20 0 CBADLP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@H+](CC(=O)NC)C1 ZINC001033775794 799789374 /nfs/dbraw/zinc/78/93/74/799789374.db2.gz MYUWSPDMWYYXOD-QWHCGFSZSA-N 2 2 296.415 -0.251 20 0 CBADLP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001033775794 799789378 /nfs/dbraw/zinc/78/93/78/799789378.db2.gz MYUWSPDMWYYXOD-QWHCGFSZSA-N 2 2 296.415 -0.251 20 0 CBADLP CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](CC(=O)NC)C1 ZINC001033775794 799789381 /nfs/dbraw/zinc/78/93/81/799789381.db2.gz MYUWSPDMWYYXOD-QWHCGFSZSA-N 2 2 296.415 -0.251 20 0 CBADLP CCN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CC[NH+](CC(=O)NC)C1 ZINC001033775794 799789385 /nfs/dbraw/zinc/78/93/85/799789385.db2.gz MYUWSPDMWYYXOD-QWHCGFSZSA-N 2 2 296.415 -0.251 20 0 CBADLP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033835551 799795178 /nfs/dbraw/zinc/79/51/78/799795178.db2.gz ZJLYTUZOCFEKJD-JHJVBQTASA-N 2 2 296.415 -0.265 20 0 CBADLP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033835551 799795184 /nfs/dbraw/zinc/79/51/84/799795184.db2.gz ZJLYTUZOCFEKJD-JHJVBQTASA-N 2 2 296.415 -0.265 20 0 CBADLP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001033835551 799795187 /nfs/dbraw/zinc/79/51/87/799795187.db2.gz ZJLYTUZOCFEKJD-JHJVBQTASA-N 2 2 296.415 -0.265 20 0 CBADLP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001033835551 799795193 /nfs/dbraw/zinc/79/51/93/799795193.db2.gz ZJLYTUZOCFEKJD-JHJVBQTASA-N 2 2 296.415 -0.265 20 0 CBADLP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001034041425 799807626 /nfs/dbraw/zinc/80/76/26/799807626.db2.gz DGOQVFAGDYUUPZ-NWDGAFQWSA-N 2 2 282.388 -0.654 20 0 CBADLP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001034041425 799807635 /nfs/dbraw/zinc/80/76/35/799807635.db2.gz DGOQVFAGDYUUPZ-NWDGAFQWSA-N 2 2 282.388 -0.654 20 0 CBADLP CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001034041425 799807642 /nfs/dbraw/zinc/80/76/42/799807642.db2.gz DGOQVFAGDYUUPZ-NWDGAFQWSA-N 2 2 282.388 -0.654 20 0 CBADLP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001034041425 799807649 /nfs/dbraw/zinc/80/76/49/799807649.db2.gz DGOQVFAGDYUUPZ-NWDGAFQWSA-N 2 2 282.388 -0.654 20 0 CBADLP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CCCC[NH+](CC(N)=O)C2)C1 ZINC001034394104 799836366 /nfs/dbraw/zinc/83/63/66/799836366.db2.gz JIJVZSAWIIJBIT-OLZOCXBDSA-N 2 2 296.415 -0.216 20 0 CBADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CCCC[NH+](CC(N)=O)C2)C1 ZINC001034394104 799836372 /nfs/dbraw/zinc/83/63/72/799836372.db2.gz JIJVZSAWIIJBIT-OLZOCXBDSA-N 2 2 296.415 -0.216 20 0 CBADLP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CCCC[N@H+](CC(N)=O)C2)C1 ZINC001034394104 799836380 /nfs/dbraw/zinc/83/63/80/799836380.db2.gz JIJVZSAWIIJBIT-OLZOCXBDSA-N 2 2 296.415 -0.216 20 0 CBADLP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CCCC[N@@H+](CC(N)=O)C2)C1 ZINC001034394104 799836384 /nfs/dbraw/zinc/83/63/84/799836384.db2.gz JIJVZSAWIIJBIT-OLZOCXBDSA-N 2 2 296.415 -0.216 20 0 CBADLP C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC1)C(N)=O ZINC001034744157 799853809 /nfs/dbraw/zinc/85/38/09/799853809.db2.gz NFFYZMOOWBDPLU-DCAQKATOSA-N 2 2 293.371 -0.157 20 0 CBADLP C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC1)C(N)=O ZINC001034744159 799854228 /nfs/dbraw/zinc/85/42/28/799854228.db2.gz NFFYZMOOWBDPLU-GMTAPVOTSA-N 2 2 293.371 -0.157 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH+](CCCO)CCO1 ZINC001035313067 799889029 /nfs/dbraw/zinc/88/90/29/799889029.db2.gz MHDJAMHXTHMGHK-STQMWFEESA-N 2 2 285.388 -0.720 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH+](CCCO)CCO1 ZINC001035313067 799889038 /nfs/dbraw/zinc/88/90/38/799889038.db2.gz MHDJAMHXTHMGHK-STQMWFEESA-N 2 2 285.388 -0.720 20 0 CBADLP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[N@H+](CCCO)CCO1 ZINC001035313067 799889043 /nfs/dbraw/zinc/88/90/43/799889043.db2.gz MHDJAMHXTHMGHK-STQMWFEESA-N 2 2 285.388 -0.720 20 0 CBADLP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[N@@H+](CCCO)CCO1 ZINC001035313067 799889051 /nfs/dbraw/zinc/88/90/51/799889051.db2.gz MHDJAMHXTHMGHK-STQMWFEESA-N 2 2 285.388 -0.720 20 0 CBADLP CC(C)[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001035325494 799891466 /nfs/dbraw/zinc/89/14/66/799891466.db2.gz BDPGCHRDWHZFBB-QWHCGFSZSA-N 2 2 285.388 -0.458 20 0 CBADLP CC(C)[N@H+]1CCO[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001035325494 799891472 /nfs/dbraw/zinc/89/14/72/799891472.db2.gz BDPGCHRDWHZFBB-QWHCGFSZSA-N 2 2 285.388 -0.458 20 0 CBADLP CC(C)[NH+]1CCO[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001035325494 799891478 /nfs/dbraw/zinc/89/14/78/799891478.db2.gz BDPGCHRDWHZFBB-QWHCGFSZSA-N 2 2 285.388 -0.458 20 0 CBADLP CC(C)[NH+]1CCO[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001035325494 799891488 /nfs/dbraw/zinc/89/14/88/799891488.db2.gz BDPGCHRDWHZFBB-QWHCGFSZSA-N 2 2 285.388 -0.458 20 0 CBADLP COCC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001035371576 799910869 /nfs/dbraw/zinc/91/08/69/799910869.db2.gz FVNKOYQQHFTBRW-HZSPNIEDSA-N 2 2 299.415 -0.210 20 0 CBADLP COCC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001035371576 799910872 /nfs/dbraw/zinc/91/08/72/799910872.db2.gz FVNKOYQQHFTBRW-HZSPNIEDSA-N 2 2 299.415 -0.210 20 0 CBADLP COCC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001035371576 799910877 /nfs/dbraw/zinc/91/08/77/799910877.db2.gz FVNKOYQQHFTBRW-HZSPNIEDSA-N 2 2 299.415 -0.210 20 0 CBADLP COCC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001035371576 799910879 /nfs/dbraw/zinc/91/08/79/799910879.db2.gz FVNKOYQQHFTBRW-HZSPNIEDSA-N 2 2 299.415 -0.210 20 0 CBADLP O=C(NC[C@H]1C[N@H+](CCO)CCO1)C12CCC[NH+]1CCC2 ZINC001035432562 799921653 /nfs/dbraw/zinc/92/16/53/799921653.db2.gz KCSJXJHPEQRPFE-ZDUSSCGKSA-N 2 2 297.399 -0.576 20 0 CBADLP O=C(NC[C@H]1C[N@@H+](CCO)CCO1)C12CCC[NH+]1CCC2 ZINC001035432562 799921657 /nfs/dbraw/zinc/92/16/57/799921657.db2.gz KCSJXJHPEQRPFE-ZDUSSCGKSA-N 2 2 297.399 -0.576 20 0 CBADLP NC(=O)C[NH+]1CC2(C1)CCN(C(=O)C[NH+]1CCCC1)CC2 ZINC001035851380 799965424 /nfs/dbraw/zinc/96/54/24/799965424.db2.gz LYQDJZJBESQPQW-UHFFFAOYSA-N 2 2 294.399 -0.508 20 0 CBADLP C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[C@@H]1[NH2+]CC(N)=O ZINC001036014952 799973598 /nfs/dbraw/zinc/97/35/98/799973598.db2.gz LDDUSKCPRGTNRE-MNOVXSKESA-N 2 2 293.371 -0.346 20 0 CBADLP C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[C@@H]1[NH2+]CC(N)=O ZINC001036044437 799975042 /nfs/dbraw/zinc/97/50/42/799975042.db2.gz BDKVTZDPAVFDFJ-JQWIXIFHSA-N 2 2 293.371 -0.346 20 0 CBADLP C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[C@@H]1[NH2+]CC(N)=O ZINC001036044437 799975049 /nfs/dbraw/zinc/97/50/49/799975049.db2.gz BDKVTZDPAVFDFJ-JQWIXIFHSA-N 2 2 293.371 -0.346 20 0 CBADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@@H]1[NH2+]CC(N)=O ZINC001036122399 799978070 /nfs/dbraw/zinc/97/80/70/799978070.db2.gz DMGWBOXKAKQMKI-NEPJUHHUSA-N 2 2 293.371 -0.415 20 0 CBADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[C@@H]1[NH2+]CCO ZINC001036265157 799985620 /nfs/dbraw/zinc/98/56/20/799985620.db2.gz KOSJEFPBCZSABQ-YPMHNXCESA-N 2 2 280.372 -0.219 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]([NH2+]CC(N)=O)[C@@H](C)C1 ZINC001036276208 799985689 /nfs/dbraw/zinc/98/56/89/799985689.db2.gz RZIQCQKLXBJZNZ-ONGXEEELSA-N 2 2 293.371 -0.427 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2[C@@H](CC[N@H+]2CCO)C1 ZINC001036829631 800010302 /nfs/dbraw/zinc/01/03/02/800010302.db2.gz ITZMUMKAJVXJKA-AAEUAGOBSA-N 2 2 278.356 -0.133 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2[C@@H](CC[N@@H+]2CCO)C1 ZINC001036829631 800010308 /nfs/dbraw/zinc/01/03/08/800010308.db2.gz ITZMUMKAJVXJKA-AAEUAGOBSA-N 2 2 278.356 -0.133 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2CCO)C1 ZINC001036869872 800013662 /nfs/dbraw/zinc/01/36/62/800013662.db2.gz LKXLHASVJWRPNX-JSGCOSHPSA-N 2 2 292.383 -0.122 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2CCO)C1 ZINC001036869872 800013670 /nfs/dbraw/zinc/01/36/70/800013670.db2.gz LKXLHASVJWRPNX-JSGCOSHPSA-N 2 2 292.383 -0.122 20 0 CBADLP COCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001038116979 800055594 /nfs/dbraw/zinc/05/55/94/800055594.db2.gz MXWDYQONJVSGRE-RYUDHWBXSA-N 2 2 255.362 -0.083 20 0 CBADLP COCC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001038116979 800055604 /nfs/dbraw/zinc/05/56/04/800055604.db2.gz MXWDYQONJVSGRE-RYUDHWBXSA-N 2 2 255.362 -0.083 20 0 CBADLP COCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001038116979 800055612 /nfs/dbraw/zinc/05/56/12/800055612.db2.gz MXWDYQONJVSGRE-RYUDHWBXSA-N 2 2 255.362 -0.083 20 0 CBADLP COCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001038116979 800055616 /nfs/dbraw/zinc/05/56/16/800055616.db2.gz MXWDYQONJVSGRE-RYUDHWBXSA-N 2 2 255.362 -0.083 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CCn1cncn1 ZINC001038118086 800057399 /nfs/dbraw/zinc/05/73/99/800057399.db2.gz QMYAHYMWMWGZBI-CHWSQXEVSA-N 2 2 292.387 -0.437 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CCn1cncn1 ZINC001038118086 800057406 /nfs/dbraw/zinc/05/74/06/800057406.db2.gz QMYAHYMWMWGZBI-CHWSQXEVSA-N 2 2 292.387 -0.437 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1CCn1cncn1 ZINC001038118086 800057416 /nfs/dbraw/zinc/05/74/16/800057416.db2.gz QMYAHYMWMWGZBI-CHWSQXEVSA-N 2 2 292.387 -0.437 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1CCn1cncn1 ZINC001038118086 800057423 /nfs/dbraw/zinc/05/74/23/800057423.db2.gz QMYAHYMWMWGZBI-CHWSQXEVSA-N 2 2 292.387 -0.437 20 0 CBADLP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[NH+]2CC(=O)N(C)C)CC[N@@H+]1C ZINC001038266801 800090179 /nfs/dbraw/zinc/09/01/79/800090179.db2.gz UXQCHDUSUVNFPV-JHJVBQTASA-N 2 2 296.415 -0.395 20 0 CBADLP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[NH+]2CC(=O)N(C)C)CC[N@H+]1C ZINC001038266801 800090183 /nfs/dbraw/zinc/09/01/83/800090183.db2.gz UXQCHDUSUVNFPV-JHJVBQTASA-N 2 2 296.415 -0.395 20 0 CBADLP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[N@@H+]2CC(=O)N(C)C)CC[NH+]1C ZINC001038266801 800090192 /nfs/dbraw/zinc/09/01/92/800090192.db2.gz UXQCHDUSUVNFPV-JHJVBQTASA-N 2 2 296.415 -0.395 20 0 CBADLP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[N@H+]2CC(=O)N(C)C)CC[NH+]1C ZINC001038266801 800090200 /nfs/dbraw/zinc/09/02/00/800090200.db2.gz UXQCHDUSUVNFPV-JHJVBQTASA-N 2 2 296.415 -0.395 20 0 CBADLP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CCO ZINC001038406162 800106979 /nfs/dbraw/zinc/10/69/79/800106979.db2.gz AULQUJGHEPIUPN-RYUDHWBXSA-N 2 2 255.362 -0.347 20 0 CBADLP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CCO ZINC001038406162 800106985 /nfs/dbraw/zinc/10/69/85/800106985.db2.gz AULQUJGHEPIUPN-RYUDHWBXSA-N 2 2 255.362 -0.347 20 0 CBADLP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCO ZINC001038406162 800106988 /nfs/dbraw/zinc/10/69/88/800106988.db2.gz AULQUJGHEPIUPN-RYUDHWBXSA-N 2 2 255.362 -0.347 20 0 CBADLP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CCO ZINC001038406162 800106991 /nfs/dbraw/zinc/10/69/91/800106991.db2.gz AULQUJGHEPIUPN-RYUDHWBXSA-N 2 2 255.362 -0.347 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001038926830 801268364 /nfs/dbraw/zinc/26/83/64/801268364.db2.gz RZFQOJXXFFSNJN-NEPJUHHUSA-N 2 2 294.399 -0.463 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001038926830 801268369 /nfs/dbraw/zinc/26/83/69/801268369.db2.gz RZFQOJXXFFSNJN-NEPJUHHUSA-N 2 2 294.399 -0.463 20 0 CBADLP CCC[NH+]1CC(N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001042570004 801492444 /nfs/dbraw/zinc/49/24/44/801492444.db2.gz BUHIEQYVIUEKQZ-LBPRGKRZSA-N 2 2 255.362 -0.130 20 0 CBADLP CCC[NH+]1CC(N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001042570004 801492440 /nfs/dbraw/zinc/49/24/40/801492440.db2.gz BUHIEQYVIUEKQZ-LBPRGKRZSA-N 2 2 255.362 -0.130 20 0 CBADLP C[C@H](O)C[NH+]1CC(N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001043875800 801600279 /nfs/dbraw/zinc/60/02/79/801600279.db2.gz NFHCVPUFKLRHFA-RYUDHWBXSA-N 2 2 269.389 -0.148 20 0 CBADLP C[C@H](O)C[NH+]1CC(N(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001043875800 801600291 /nfs/dbraw/zinc/60/02/91/801600291.db2.gz NFHCVPUFKLRHFA-RYUDHWBXSA-N 2 2 269.389 -0.148 20 0 CBADLP CN(C(=O)C[C@H]1CC[N@H+](C)C1)C1C[NH+](CCO)C1 ZINC001044187100 801628274 /nfs/dbraw/zinc/62/82/74/801628274.db2.gz WMIAGNQQVAACQQ-LLVKDONJSA-N 2 2 255.362 -0.537 20 0 CBADLP CN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1C[NH+](CCO)C1 ZINC001044187100 801628279 /nfs/dbraw/zinc/62/82/79/801628279.db2.gz WMIAGNQQVAACQQ-LLVKDONJSA-N 2 2 255.362 -0.537 20 0 CBADLP CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1C[NH+](CCn2cncn2)C1 ZINC001044289931 801637237 /nfs/dbraw/zinc/63/72/37/801637237.db2.gz HBAJLLBTHFJJKK-GFCCVEGCSA-N 2 2 292.387 -0.628 20 0 CBADLP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1C[NH+](CCn2cncn2)C1 ZINC001044289931 801637242 /nfs/dbraw/zinc/63/72/42/801637242.db2.gz HBAJLLBTHFJJKK-GFCCVEGCSA-N 2 2 292.387 -0.628 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N(C)C1C[NH+](C[C@H](C)O)C1 ZINC001044295146 801637755 /nfs/dbraw/zinc/63/77/55/801637755.db2.gz AUGBJXMZILIHFQ-JTQLQIEISA-N 2 2 266.345 -0.285 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]([NH2+]CC(N)=O)C[C@@H]1C ZINC001044844124 801673442 /nfs/dbraw/zinc/67/34/42/801673442.db2.gz YPRJRMKCWHLVRO-ONGXEEELSA-N 2 2 293.371 -0.285 20 0 CBADLP C[C@@H]1C[C@@H]([NH2+]CCO)CCN1C(=O)Cn1cc[nH+]c1 ZINC001044879911 801674423 /nfs/dbraw/zinc/67/44/23/801674423.db2.gz WHWUIWIAFLXADZ-NEPJUHHUSA-N 2 2 266.345 -0.156 20 0 CBADLP CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001044975070 801680911 /nfs/dbraw/zinc/68/09/11/801680911.db2.gz SUVGLDLCSJAEGQ-RYUDHWBXSA-N 2 2 255.362 -0.083 20 0 CBADLP CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001044975070 801680916 /nfs/dbraw/zinc/68/09/16/801680916.db2.gz SUVGLDLCSJAEGQ-RYUDHWBXSA-N 2 2 255.362 -0.083 20 0 CBADLP COCC[NH+]1CCC(C)(NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001045397423 801695912 /nfs/dbraw/zinc/69/59/12/801695912.db2.gz BKIYPSZYXZPISC-ZDUSSCGKSA-N 2 2 299.415 -0.066 20 0 CBADLP COCC[NH+]1CCC(C)(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001045397423 801695919 /nfs/dbraw/zinc/69/59/19/801695919.db2.gz BKIYPSZYXZPISC-ZDUSSCGKSA-N 2 2 299.415 -0.066 20 0 CBADLP COCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001046215010 801740907 /nfs/dbraw/zinc/74/09/07/801740907.db2.gz KPXYWHBVTFHXLF-TZMCWYRMSA-N 2 2 285.388 -0.456 20 0 CBADLP COCC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001046215010 801740914 /nfs/dbraw/zinc/74/09/14/801740914.db2.gz KPXYWHBVTFHXLF-TZMCWYRMSA-N 2 2 285.388 -0.456 20 0 CBADLP COCC[NH+]1CC[C@@](C)(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001046215010 801740917 /nfs/dbraw/zinc/74/09/17/801740917.db2.gz KPXYWHBVTFHXLF-TZMCWYRMSA-N 2 2 285.388 -0.456 20 0 CBADLP COCC[NH+]1CC[C@@](C)(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001046215010 801740919 /nfs/dbraw/zinc/74/09/19/801740919.db2.gz KPXYWHBVTFHXLF-TZMCWYRMSA-N 2 2 285.388 -0.456 20 0 CBADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@]1(C)CC[NH+](CC(N)=O)C1 ZINC001046315001 801752650 /nfs/dbraw/zinc/75/26/50/801752650.db2.gz HPUZVKDAZNZZRU-DOMZBBRYSA-N 2 2 296.415 -0.075 20 0 CBADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@]1(C)CC[NH+](CC(N)=O)C1 ZINC001046315001 801752652 /nfs/dbraw/zinc/75/26/52/801752652.db2.gz HPUZVKDAZNZZRU-DOMZBBRYSA-N 2 2 296.415 -0.075 20 0 CBADLP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@]1(C)CC[N@H+](CC(N)=O)C1 ZINC001046315001 801752655 /nfs/dbraw/zinc/75/26/55/801752655.db2.gz HPUZVKDAZNZZRU-DOMZBBRYSA-N 2 2 296.415 -0.075 20 0 CBADLP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@]1(C)CC[N@@H+](CC(N)=O)C1 ZINC001046315001 801752658 /nfs/dbraw/zinc/75/26/58/801752658.db2.gz HPUZVKDAZNZZRU-DOMZBBRYSA-N 2 2 296.415 -0.075 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCO)C2 ZINC001047150611 801809940 /nfs/dbraw/zinc/80/99/40/801809940.db2.gz QUPSETYPHQFQIT-GVXVVHGQSA-N 2 2 278.356 -0.086 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCO)C2 ZINC001047150611 801809949 /nfs/dbraw/zinc/80/99/49/801809949.db2.gz QUPSETYPHQFQIT-GVXVVHGQSA-N 2 2 278.356 -0.086 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCO)C2 ZINC001047210454 801811924 /nfs/dbraw/zinc/81/19/24/801811924.db2.gz LKGNOFUEPGHUKV-XQQFMLRXSA-N 2 2 278.356 -0.156 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCO)C2 ZINC001047210454 801811930 /nfs/dbraw/zinc/81/19/30/801811930.db2.gz LKGNOFUEPGHUKV-XQQFMLRXSA-N 2 2 278.356 -0.156 20 0 CBADLP CC(C)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001047334015 801840374 /nfs/dbraw/zinc/84/03/74/801840374.db2.gz VZCSTBMBAYGDRU-AVGNSLFASA-N 2 2 285.388 -0.771 20 0 CBADLP CC(C)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001047334015 801840377 /nfs/dbraw/zinc/84/03/77/801840377.db2.gz VZCSTBMBAYGDRU-AVGNSLFASA-N 2 2 285.388 -0.771 20 0 CBADLP CC(C)[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001047334015 801840383 /nfs/dbraw/zinc/84/03/83/801840383.db2.gz VZCSTBMBAYGDRU-AVGNSLFASA-N 2 2 285.388 -0.771 20 0 CBADLP CC(C)[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001047334015 801840386 /nfs/dbraw/zinc/84/03/86/801840386.db2.gz VZCSTBMBAYGDRU-AVGNSLFASA-N 2 2 285.388 -0.771 20 0 CBADLP CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001047545031 801899232 /nfs/dbraw/zinc/89/92/32/801899232.db2.gz NRBOGPUFBIBHPW-QWRGUYRKSA-N 2 2 252.318 -0.524 20 0 CBADLP CN(C(=O)Cc1c[nH+]cn1C)[C@H]1C[N@H+](CCCF)C[C@@H]1O ZINC001047598133 801906531 /nfs/dbraw/zinc/90/65/31/801906531.db2.gz WTLPCNGMVSWSMI-STQMWFEESA-N 2 2 298.362 -0.174 20 0 CBADLP CN(C(=O)Cc1c[nH+]cn1C)[C@H]1C[N@@H+](CCCF)C[C@@H]1O ZINC001047598133 801906537 /nfs/dbraw/zinc/90/65/37/801906537.db2.gz WTLPCNGMVSWSMI-STQMWFEESA-N 2 2 298.362 -0.174 20 0 CBADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1C[C@@H]2C[N@H+](CCO)C[C@@H]2C1 ZINC001048874650 801975938 /nfs/dbraw/zinc/97/59/38/801975938.db2.gz KUDVTKFRFZKDMP-YVECIDJPSA-N 2 2 290.367 -0.104 20 0 CBADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1C[C@@H]2C[N@@H+](CCO)C[C@@H]2C1 ZINC001048874650 801975940 /nfs/dbraw/zinc/97/59/40/801975940.db2.gz KUDVTKFRFZKDMP-YVECIDJPSA-N 2 2 290.367 -0.104 20 0 CBADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1C[C@@H]2C[N@H+](CCO)C[C@@H]2C1 ZINC001048874650 801975943 /nfs/dbraw/zinc/97/59/43/801975943.db2.gz KUDVTKFRFZKDMP-YVECIDJPSA-N 2 2 290.367 -0.104 20 0 CBADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1C[C@@H]2C[N@@H+](CCO)C[C@@H]2C1 ZINC001048874650 801975945 /nfs/dbraw/zinc/97/59/45/801975945.db2.gz KUDVTKFRFZKDMP-YVECIDJPSA-N 2 2 290.367 -0.104 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CC(N)=O ZINC001049367893 802016712 /nfs/dbraw/zinc/01/67/12/802016712.db2.gz BMFVLDFKZFLAGX-YNEHKIRRSA-N 2 2 294.399 -0.369 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CC(N)=O ZINC001049367893 802016713 /nfs/dbraw/zinc/01/67/13/802016713.db2.gz BMFVLDFKZFLAGX-YNEHKIRRSA-N 2 2 294.399 -0.369 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC(N)=O ZINC001049367893 802016722 /nfs/dbraw/zinc/01/67/22/802016722.db2.gz BMFVLDFKZFLAGX-YNEHKIRRSA-N 2 2 294.399 -0.369 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CC(N)=O ZINC001049367893 802016730 /nfs/dbraw/zinc/01/67/30/802016730.db2.gz BMFVLDFKZFLAGX-YNEHKIRRSA-N 2 2 294.399 -0.369 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]2C[NH+](CC(N)=O)C[C@H]21 ZINC001049996374 802048193 /nfs/dbraw/zinc/04/81/93/802048193.db2.gz YEEDZKCBCHWCNR-YNEHKIRRSA-N 2 2 294.399 -0.511 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]2C[NH+](CC(N)=O)C[C@H]21 ZINC001049996374 802048198 /nfs/dbraw/zinc/04/81/98/802048198.db2.gz YEEDZKCBCHWCNR-YNEHKIRRSA-N 2 2 294.399 -0.511 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)N1CCC[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001049996374 802048202 /nfs/dbraw/zinc/04/82/02/802048202.db2.gz YEEDZKCBCHWCNR-YNEHKIRRSA-N 2 2 294.399 -0.511 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)N1CCC[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001049996374 802048211 /nfs/dbraw/zinc/04/82/11/802048211.db2.gz YEEDZKCBCHWCNR-YNEHKIRRSA-N 2 2 294.399 -0.511 20 0 CBADLP CC[C@@H](C(=O)N1CCC[C@H]2C[N@H+](CC(N)=O)C[C@H]21)[NH+](C)C ZINC001050144697 802055332 /nfs/dbraw/zinc/05/53/32/802055332.db2.gz MTWSQOVFLXWURK-RWMBFGLXSA-N 2 2 296.415 -0.265 20 0 CBADLP CC[C@@H](C(=O)N1CCC[C@H]2C[N@@H+](CC(N)=O)C[C@H]21)[NH+](C)C ZINC001050144697 802055338 /nfs/dbraw/zinc/05/53/38/802055338.db2.gz MTWSQOVFLXWURK-RWMBFGLXSA-N 2 2 296.415 -0.265 20 0 CBADLP CC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001051848329 802170057 /nfs/dbraw/zinc/17/00/57/802170057.db2.gz PFJRHILQKMCDJP-LLVKDONJSA-N 2 2 252.318 -0.211 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CCC[N@H+](CCO)CC1 ZINC001052864921 802222049 /nfs/dbraw/zinc/22/20/49/802222049.db2.gz ARHHYDGSZNVBJF-LBPRGKRZSA-N 2 2 280.372 -0.074 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CCC[N@@H+](CCO)CC1 ZINC001052864921 802222052 /nfs/dbraw/zinc/22/20/52/802222052.db2.gz ARHHYDGSZNVBJF-LBPRGKRZSA-N 2 2 280.372 -0.074 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CCC[N@H+](CC(N)=O)CC1 ZINC001052931028 802224086 /nfs/dbraw/zinc/22/40/86/802224086.db2.gz MAOLGBGCGCZFLT-LBPRGKRZSA-N 2 2 293.371 -0.352 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CCC[N@@H+](CC(N)=O)CC1 ZINC001052931028 802224093 /nfs/dbraw/zinc/22/40/93/802224093.db2.gz MAOLGBGCGCZFLT-LBPRGKRZSA-N 2 2 293.371 -0.352 20 0 CBADLP CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)O2 ZINC001053585371 802269710 /nfs/dbraw/zinc/26/97/10/802269710.db2.gz FSEMSHDGVSWQAJ-OLZOCXBDSA-N 2 2 297.399 -0.314 20 0 CBADLP CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)O2 ZINC001053585371 802269714 /nfs/dbraw/zinc/26/97/14/802269714.db2.gz FSEMSHDGVSWQAJ-OLZOCXBDSA-N 2 2 297.399 -0.314 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC2(C[NH+](CCO)C2)O1 ZINC001053583279 802269865 /nfs/dbraw/zinc/26/98/65/802269865.db2.gz WXFCUVODKAQPJX-STQMWFEESA-N 2 2 297.399 -0.578 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC2(C[NH+](CCO)C2)O1 ZINC001053583279 802269867 /nfs/dbraw/zinc/26/98/67/802269867.db2.gz WXFCUVODKAQPJX-STQMWFEESA-N 2 2 297.399 -0.578 20 0 CBADLP C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1[NH2+]CCO ZINC001054716949 802367389 /nfs/dbraw/zinc/36/73/89/802367389.db2.gz AEZNCGBJLBLFAA-JQWIXIFHSA-N 2 2 266.345 -0.229 20 0 CBADLP C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1[NH2+]CCO ZINC001054716949 802367397 /nfs/dbraw/zinc/36/73/97/802367397.db2.gz AEZNCGBJLBLFAA-JQWIXIFHSA-N 2 2 266.345 -0.229 20 0 CBADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1[NH2+]CCO ZINC001054951286 802381039 /nfs/dbraw/zinc/38/10/39/802381039.db2.gz LCGUSMNLOVBNAN-VXGBXAGGSA-N 2 2 266.345 -0.298 20 0 CBADLP C[C@H](NC(=O)C1=CC[C@@H]([NH3+])C1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001122450054 813166627 /nfs/dbraw/zinc/16/66/27/813166627.db2.gz ZJENEJCEQIUVGS-UHTWSYAYSA-N 2 2 266.389 -0.216 20 0 CBADLP C[C@H](NC(=O)C1=CC[C@@H]([NH3+])C1)[C@@H]1CN(C)CC[N@H+]1C ZINC001122450054 813166632 /nfs/dbraw/zinc/16/66/32/813166632.db2.gz ZJENEJCEQIUVGS-UHTWSYAYSA-N 2 2 266.389 -0.216 20 0 CBADLP C[C@H](NC(=O)C1=CC[C@@H]([NH3+])C1)[C@H]1CN(C)CC[N@@H+]1C ZINC001122450049 813167439 /nfs/dbraw/zinc/16/74/39/813167439.db2.gz ZJENEJCEQIUVGS-CYZMBNFOSA-N 2 2 266.389 -0.216 20 0 CBADLP C[C@H](NC(=O)C1=CC[C@@H]([NH3+])C1)[C@H]1CN(C)CC[N@H+]1C ZINC001122450049 813167442 /nfs/dbraw/zinc/16/74/42/813167442.db2.gz ZJENEJCEQIUVGS-CYZMBNFOSA-N 2 2 266.389 -0.216 20 0 CBADLP COC(=O)[C@H](CCc1cn(C)c[nH+]1)NC(=O)C1C[NH+](C)C1 ZINC001142601045 814724030 /nfs/dbraw/zinc/72/40/30/814724030.db2.gz VNUIGIRWKHAGSO-LBPRGKRZSA-N 2 2 294.355 -0.428 20 0 CBADLP C[C@@H](C[NH2+]CCO)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001321896307 803835237 /nfs/dbraw/zinc/83/52/37/803835237.db2.gz LRRDXQSFMZALNR-QWRGUYRKSA-N 2 2 266.345 -0.468 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+][C@H](C)C(=O)N(C)C ZINC001149123307 814971117 /nfs/dbraw/zinc/97/11/17/814971117.db2.gz JBPBTWALIILQAZ-SNVBAGLBSA-N 2 2 281.360 -0.557 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+]CCS(C)(=O)=O ZINC001149124046 814971206 /nfs/dbraw/zinc/97/12/06/814971206.db2.gz PLKFURMXHJCUHI-UHFFFAOYSA-N 2 2 288.373 -0.989 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+]CC(=O)N1CCCC1 ZINC001149130297 814971359 /nfs/dbraw/zinc/97/13/59/814971359.db2.gz LVCSNVOZCZSAMY-UHFFFAOYSA-N 2 2 293.371 -0.411 20 0 CBADLP CN(CCC[NH2+]CCO)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001322581248 803914634 /nfs/dbraw/zinc/91/46/34/803914634.db2.gz OWCSIIUGMPTUPR-GFCCVEGCSA-N 2 2 280.372 -0.124 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NC[C@H]1CC[N@@H+]1CCOCCO ZINC001323274124 804000397 /nfs/dbraw/zinc/00/03/97/804000397.db2.gz VQQXKWHUUNCKRK-CYBMUJFWSA-N 2 2 296.371 -0.609 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NC[C@H]1CC[N@H+]1CCOCCO ZINC001323274124 804000407 /nfs/dbraw/zinc/00/04/07/804000407.db2.gz VQQXKWHUUNCKRK-CYBMUJFWSA-N 2 2 296.371 -0.609 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CC[N@H+]1C[C@H](C)O ZINC001323340060 804011095 /nfs/dbraw/zinc/01/10/95/804011095.db2.gz LAKCYKSMDHMLQB-ONGXEEELSA-N 2 2 266.345 -0.168 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CC[N@@H+]1C[C@H](C)O ZINC001323340060 804011104 /nfs/dbraw/zinc/01/11/04/804011104.db2.gz LAKCYKSMDHMLQB-ONGXEEELSA-N 2 2 266.345 -0.168 20 0 CBADLP CCOCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001323355613 804014764 /nfs/dbraw/zinc/01/47/64/804014764.db2.gz FEGCGZUXPLHJAB-ZIAGYGMSSA-N 2 2 299.415 -0.066 20 0 CBADLP CCOCC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001323355613 804014774 /nfs/dbraw/zinc/01/47/74/804014774.db2.gz FEGCGZUXPLHJAB-ZIAGYGMSSA-N 2 2 299.415 -0.066 20 0 CBADLP CCOCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001323355613 804014782 /nfs/dbraw/zinc/01/47/82/804014782.db2.gz FEGCGZUXPLHJAB-ZIAGYGMSSA-N 2 2 299.415 -0.066 20 0 CBADLP CCOCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001323355613 804014796 /nfs/dbraw/zinc/01/47/96/804014796.db2.gz FEGCGZUXPLHJAB-ZIAGYGMSSA-N 2 2 299.415 -0.066 20 0 CBADLP C[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](C)C[C@@H]2CO)C1 ZINC001149367766 814986141 /nfs/dbraw/zinc/98/61/41/814986141.db2.gz JOBVCPUJMATAFA-VXGBXAGGSA-N 2 2 255.362 -0.537 20 0 CBADLP C[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)C[C@@H]2CO)C1 ZINC001149367766 814986144 /nfs/dbraw/zinc/98/61/44/814986144.db2.gz JOBVCPUJMATAFA-VXGBXAGGSA-N 2 2 255.362 -0.537 20 0 CBADLP C[C@@H]1CC[NH+](CC(=O)N2CC[N@H+](C)C[C@@H]2CO)C1 ZINC001149367766 814986147 /nfs/dbraw/zinc/98/61/47/814986147.db2.gz JOBVCPUJMATAFA-VXGBXAGGSA-N 2 2 255.362 -0.537 20 0 CBADLP C[C@@H]1CC[NH+](CC(=O)N2CC[N@@H+](C)C[C@@H]2CO)C1 ZINC001149367766 814986151 /nfs/dbraw/zinc/98/61/51/814986151.db2.gz JOBVCPUJMATAFA-VXGBXAGGSA-N 2 2 255.362 -0.537 20 0 CBADLP C[C@H](O)C[NH2+]C1(CNC(=O)CCn2cc[nH+]c2)CC1 ZINC001323508681 804035675 /nfs/dbraw/zinc/03/56/75/804035675.db2.gz NJPHUWAGHJYCOI-NSHDSACASA-N 2 2 266.345 -0.108 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@@H]1C[NH2+]CCCO ZINC001324262666 804128334 /nfs/dbraw/zinc/12/83/34/804128334.db2.gz YTEWQYRNFDGKAR-GFCCVEGCSA-N 2 2 280.372 -0.074 20 0 CBADLP C[NH+]1CCN(CCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001324290444 804132444 /nfs/dbraw/zinc/13/24/44/804132444.db2.gz BWCOTXFXVNKZGF-UHFFFAOYSA-N 2 2 251.334 -0.753 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC001325278870 804269087 /nfs/dbraw/zinc/26/90/87/804269087.db2.gz MSWKCDFFYCWXNN-CYBMUJFWSA-N 2 2 268.361 -0.219 20 0 CBADLP O=C(CCc1[nH]cc[nH+]1)NC[C@@H]1C[N@H+](CCO)CCCO1 ZINC001149631695 815005612 /nfs/dbraw/zinc/00/56/12/815005612.db2.gz LKKYQOZQRPFBLO-GFCCVEGCSA-N 2 2 296.371 -0.458 20 0 CBADLP O=C(CCc1[nH]cc[nH+]1)NC[C@@H]1C[N@@H+](CCO)CCCO1 ZINC001149631695 815005615 /nfs/dbraw/zinc/00/56/15/815005615.db2.gz LKKYQOZQRPFBLO-GFCCVEGCSA-N 2 2 296.371 -0.458 20 0 CBADLP C[C@H](O)C[N@@H+]1CCCO[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001150371443 815027629 /nfs/dbraw/zinc/02/76/29/815027629.db2.gz IGXCXITTXYMEPF-AAEUAGOBSA-N 2 2 296.371 -0.460 20 0 CBADLP C[C@H](O)C[N@H+]1CCCO[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001150371443 815027633 /nfs/dbraw/zinc/02/76/33/815027633.db2.gz IGXCXITTXYMEPF-AAEUAGOBSA-N 2 2 296.371 -0.460 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1C[N@H+](CCCO)CCCO1 ZINC001150496555 815034162 /nfs/dbraw/zinc/03/41/62/815034162.db2.gz CLZYVEHJIWIQOY-GFCCVEGCSA-N 2 2 296.371 -0.458 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1C[N@@H+](CCCO)CCCO1 ZINC001150496555 815034167 /nfs/dbraw/zinc/03/41/67/815034167.db2.gz CLZYVEHJIWIQOY-GFCCVEGCSA-N 2 2 296.371 -0.458 20 0 CBADLP C[C@H](O)C[N@@H+]1CCCO[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001150823960 815044746 /nfs/dbraw/zinc/04/47/46/815044746.db2.gz DNIJUYRTCVKKEQ-QWHCGFSZSA-N 2 2 296.371 -0.529 20 0 CBADLP C[C@H](O)C[N@H+]1CCCO[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001150823960 815044751 /nfs/dbraw/zinc/04/47/51/815044751.db2.gz DNIJUYRTCVKKEQ-QWHCGFSZSA-N 2 2 296.371 -0.529 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@H]1C[N@H+](CCO)CCCO1 ZINC001150823872 815046055 /nfs/dbraw/zinc/04/60/55/815046055.db2.gz AUSYEDPRYWDZKX-LBPRGKRZSA-N 2 2 282.344 -0.918 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@H]1C[N@@H+](CCO)CCCO1 ZINC001150823872 815046061 /nfs/dbraw/zinc/04/60/61/815046061.db2.gz AUSYEDPRYWDZKX-LBPRGKRZSA-N 2 2 282.344 -0.918 20 0 CBADLP CC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1n1ccnn1 ZINC001070284469 805179337 /nfs/dbraw/zinc/17/93/37/805179337.db2.gz FDMOJIPQJOMVBO-NEPJUHHUSA-N 2 2 289.343 -0.395 20 0 CBADLP COCc1noc(C[NH2+]CCNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001151049768 815055489 /nfs/dbraw/zinc/05/54/89/815055489.db2.gz YNCVNDLSKAAZKN-JTQLQIEISA-N 2 2 297.359 -0.627 20 0 CBADLP COCc1noc(C[NH2+]CCNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001151049768 815055494 /nfs/dbraw/zinc/05/54/94/815055494.db2.gz YNCVNDLSKAAZKN-JTQLQIEISA-N 2 2 297.359 -0.627 20 0 CBADLP C[C@@H]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C[N@@H+]1CC(N)=O ZINC001072082218 805286476 /nfs/dbraw/zinc/28/64/76/805286476.db2.gz XSOKSRVGXVTCNY-VXGBXAGGSA-N 2 2 282.388 -0.463 20 0 CBADLP C[C@@H]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C[N@H+]1CC(N)=O ZINC001072082218 805286480 /nfs/dbraw/zinc/28/64/80/805286480.db2.gz XSOKSRVGXVTCNY-VXGBXAGGSA-N 2 2 282.388 -0.463 20 0 CBADLP C[C@H](O)C[N@@H+]1CCC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001073078867 805358363 /nfs/dbraw/zinc/35/83/63/805358363.db2.gz CCNWTLPFVVPMHZ-NSHDSACASA-N 2 2 278.356 -0.133 20 0 CBADLP C[C@H](O)C[N@H+]1CCC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001073078867 805358367 /nfs/dbraw/zinc/35/83/67/805358367.db2.gz CCNWTLPFVVPMHZ-NSHDSACASA-N 2 2 278.356 -0.133 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2ocnc2C)C1 ZINC001151739352 815089488 /nfs/dbraw/zinc/08/94/88/815089488.db2.gz LDJAICMCFSPWMG-CYBMUJFWSA-N 2 2 296.371 -0.090 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2ocnc2C)C1 ZINC001151739352 815089494 /nfs/dbraw/zinc/08/94/94/815089494.db2.gz LDJAICMCFSPWMG-CYBMUJFWSA-N 2 2 296.371 -0.090 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2ccon2)C1 ZINC001151739394 815090189 /nfs/dbraw/zinc/09/01/89/815090189.db2.gz LRWHMNBHKQPYFD-GFCCVEGCSA-N 2 2 282.344 -0.399 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2ccon2)C1 ZINC001151739394 815090194 /nfs/dbraw/zinc/09/01/94/815090194.db2.gz LRWHMNBHKQPYFD-GFCCVEGCSA-N 2 2 282.344 -0.399 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2nonc2C)C1 ZINC001151749416 815091941 /nfs/dbraw/zinc/09/19/41/815091941.db2.gz XSIVPWDPDBEPJK-GFCCVEGCSA-N 2 2 297.359 -0.695 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2nonc2C)C1 ZINC001151749416 815091946 /nfs/dbraw/zinc/09/19/46/815091946.db2.gz XSIVPWDPDBEPJK-GFCCVEGCSA-N 2 2 297.359 -0.695 20 0 CBADLP CO[C@@H](C)C[NH2+]CCNC(=O)[C@H](C1CC1)[NH+]1CCOCC1 ZINC001151815069 815094784 /nfs/dbraw/zinc/09/47/84/815094784.db2.gz QBDOWXYSJUQKNS-JSGCOSHPSA-N 2 2 299.415 -0.162 20 0 CBADLP CC(C)n1nnnc1C[NH2+]CCNC(=O)C[N@H+](C)C(C)C ZINC001152439223 815121278 /nfs/dbraw/zinc/12/12/78/815121278.db2.gz GBFGUATZNBSPIY-UHFFFAOYSA-N 2 2 297.407 -0.200 20 0 CBADLP CC(C)n1nnnc1C[NH2+]CCNC(=O)C[N@@H+](C)C(C)C ZINC001152439223 815121280 /nfs/dbraw/zinc/12/12/80/815121280.db2.gz GBFGUATZNBSPIY-UHFFFAOYSA-N 2 2 297.407 -0.200 20 0 CBADLP C[C@H]([NH2+]CCNC(=O)[C@@H](c1cccnc1)[NH+](C)C)C(N)=O ZINC001152619051 815132184 /nfs/dbraw/zinc/13/21/84/815132184.db2.gz VINVENNCYJONCA-CMPLNLGQSA-N 2 2 293.371 -0.736 20 0 CBADLP C[C@@H]([NH2+]CCNC(=O)CCCn1cc[nH+]c1)C(=O)N(C)C ZINC001153351130 815159221 /nfs/dbraw/zinc/15/92/21/815159221.db2.gz OOJBSPMEFSTTJI-GFCCVEGCSA-N 2 2 295.387 -0.154 20 0 CBADLP C[C@H]([NH2+]CCNC(=O)CCCn1cc[nH+]c1)C(N)=O ZINC001153345058 815159701 /nfs/dbraw/zinc/15/97/01/815159701.db2.gz NUQUSFRSRYIVRL-JTQLQIEISA-N 2 2 267.333 -0.757 20 0 CBADLP O=C(Cn1cc[nH+]c1)NCC[NH2+]CCOC[C@H]1CCCO1 ZINC001153500122 815165166 /nfs/dbraw/zinc/16/51/66/815165166.db2.gz FTXRXACYDNIRFT-CYBMUJFWSA-N 2 2 296.371 -0.216 20 0 CBADLP O=C(Cn1cc[nH+]c1)NCC[NH2+]CC(=O)N1CCCCC1 ZINC001153487966 815164177 /nfs/dbraw/zinc/16/41/77/815164177.db2.gz WOCGCCYRJZSPJY-UHFFFAOYSA-N 2 2 293.371 -0.399 20 0 CBADLP CCN1CC[C@H]([NH2+]CCNC(=O)Cn2cc[nH+]c2)C1=O ZINC001153496289 815164518 /nfs/dbraw/zinc/16/45/18/815164518.db2.gz YNGXODHVZGEJPV-NSHDSACASA-N 2 2 279.344 -0.790 20 0 CBADLP CCCC[C@H]([NH2+]CCNC(=O)Cn1cc[nH+]c1)C(N)=O ZINC001153500808 815164552 /nfs/dbraw/zinc/16/45/52/815164552.db2.gz VBVDUDFOILIQMJ-NSHDSACASA-N 2 2 281.360 -0.367 20 0 CBADLP C[C@H]([NH2+]CCNC(=O)Cn1cc[nH+]c1)C(=O)N(C)C ZINC001153495879 815164592 /nfs/dbraw/zinc/16/45/92/815164592.db2.gz QPZAYPRCRKUJLZ-JTQLQIEISA-N 2 2 267.333 -0.934 20 0 CBADLP C[C@@H](O)CCC[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153495178 815164696 /nfs/dbraw/zinc/16/46/96/815164696.db2.gz DVUYZGNNFWFEEO-LLVKDONJSA-N 2 2 254.334 -0.250 20 0 CBADLP Cc1cc(C[NH2+]CCNC(=O)Cn2cc[nH+]c2)nn1C ZINC001153495159 815164786 /nfs/dbraw/zinc/16/47/86/815164786.db2.gz CVVIYAVXQKKMSQ-UHFFFAOYSA-N 2 2 276.344 -0.169 20 0 CBADLP C[C@H](O)CCC[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153495179 815164808 /nfs/dbraw/zinc/16/48/08/815164808.db2.gz DVUYZGNNFWFEEO-NSHDSACASA-N 2 2 254.334 -0.250 20 0 CBADLP CN1CCC[C@H]([NH2+]CCNC(=O)Cn2cc[nH+]c2)C1=O ZINC001153495957 815165033 /nfs/dbraw/zinc/16/50/33/815165033.db2.gz SAPWJIZNRPYWQQ-NSHDSACASA-N 2 2 279.344 -0.790 20 0 CBADLP Cn1cc(CC[NH2+]CCNC(=O)Cn2cc[nH+]c2)cn1 ZINC001153495569 815165057 /nfs/dbraw/zinc/16/50/57/815165057.db2.gz KLBOHCRYBRMRFJ-UHFFFAOYSA-N 2 2 276.344 -0.435 20 0 CBADLP CC[N@H+](CC(=O)NC)[C@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001154345202 815210505 /nfs/dbraw/zinc/21/05/05/815210505.db2.gz VPWHRDSMTRVTOK-GFCCVEGCSA-N 2 2 295.387 -0.236 20 0 CBADLP CC[N@@H+](CC(=O)NC)[C@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001154345202 815210508 /nfs/dbraw/zinc/21/05/08/815210508.db2.gz VPWHRDSMTRVTOK-GFCCVEGCSA-N 2 2 295.387 -0.236 20 0 CBADLP CC[N@@H+]1CC[C@H]1C(=O)NCC[NH+]1CCCOCC1 ZINC001154721962 815236132 /nfs/dbraw/zinc/23/61/32/815236132.db2.gz DHBPBKKRAZWBHC-LBPRGKRZSA-N 2 2 255.362 -0.081 20 0 CBADLP CC[N@H+]1CC[C@H]1C(=O)NCC[NH+]1CCCOCC1 ZINC001154721962 815236135 /nfs/dbraw/zinc/23/61/35/815236135.db2.gz DHBPBKKRAZWBHC-LBPRGKRZSA-N 2 2 255.362 -0.081 20 0 CBADLP CC[NH+]1CC[C@H]1C(=O)NCC[N@@H+]1CCCOCC1 ZINC001154721962 815236140 /nfs/dbraw/zinc/23/61/40/815236140.db2.gz DHBPBKKRAZWBHC-LBPRGKRZSA-N 2 2 255.362 -0.081 20 0 CBADLP CC[NH+]1CC[C@H]1C(=O)NCC[N@H+]1CCCOCC1 ZINC001154721962 815236141 /nfs/dbraw/zinc/23/61/41/815236141.db2.gz DHBPBKKRAZWBHC-LBPRGKRZSA-N 2 2 255.362 -0.081 20 0 CBADLP C[N@H+]1CCO[C@@H](CNc2cc3c(nn2)CC[NH2+]C3)C1 ZINC001155196645 815268934 /nfs/dbraw/zinc/26/89/34/815268934.db2.gz DRPSAWWLFSDMRA-NSHDSACASA-N 2 2 263.345 -0.135 20 0 CBADLP C[N@@H+]1CCO[C@@H](CNc2cc3c(nn2)CC[NH2+]C3)C1 ZINC001155196645 815268931 /nfs/dbraw/zinc/26/89/31/815268931.db2.gz DRPSAWWLFSDMRA-NSHDSACASA-N 2 2 263.345 -0.135 20 0 CBADLP NC(=O)[C@@H]1CCCN1c1cc(N[C@@H]2COC[C@@H]2[NH3+])nc[nH+]1 ZINC001155354810 815279508 /nfs/dbraw/zinc/27/95/08/815279508.db2.gz SEPZTKKFUSUYSC-AEJSXWLSSA-N 2 2 292.343 -0.931 20 0 CBADLP NC(=O)[C@H]1CCCN1c1cc(N[C@@H]2COC[C@@H]2[NH3+])nc[nH+]1 ZINC001155354811 815279631 /nfs/dbraw/zinc/27/96/31/815279631.db2.gz SEPZTKKFUSUYSC-IVZWLZJFSA-N 2 2 292.343 -0.931 20 0 CBADLP Cc1nc(N(C)C)nc(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)[nH+]1 ZINC001155482914 815286535 /nfs/dbraw/zinc/28/65/35/815286535.db2.gz AAHFZFGAUQELRY-GMTAPVOTSA-N 2 2 278.360 -0.108 20 0 CBADLP CN(C)c1cc(N[C@@]23CC[NH2+][C@@H]2CC(=O)N3)nc[nH+]1 ZINC001155568940 815291881 /nfs/dbraw/zinc/29/18/81/815291881.db2.gz CEDFFXXIFZPJQD-PRHODGIISA-N 2 2 262.317 -0.467 20 0 CBADLP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001160629477 815646787 /nfs/dbraw/zinc/64/67/87/815646787.db2.gz SDSZPBOTSICAIL-KGLIPLIRSA-N 4 2 299.463 -0.592 20 0 CBADLP Cc1nnc(C[NH2+]CCCNC(=O)[C@@H]2C[N@H+](C)CCO2)[nH]1 ZINC001156145771 815341447 /nfs/dbraw/zinc/34/14/47/815341447.db2.gz PUJDCEYWBVAZAX-NSHDSACASA-N 2 2 296.375 -0.960 20 0 CBADLP Cc1nnc(C[NH2+]CCCNC(=O)[C@@H]2C[N@@H+](C)CCO2)[nH]1 ZINC001156145771 815341452 /nfs/dbraw/zinc/34/14/52/815341452.db2.gz PUJDCEYWBVAZAX-NSHDSACASA-N 2 2 296.375 -0.960 20 0 CBADLP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)CC[N@@H+]1CC(N)=O ZINC001087725104 810305505 /nfs/dbraw/zinc/30/55/05/810305505.db2.gz BYEWCLPWTAZGAA-FRRDWIJNSA-N 2 2 296.415 -0.075 20 0 CBADLP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)CC[N@H+]1CC(N)=O ZINC001087725104 810305511 /nfs/dbraw/zinc/30/55/11/810305511.db2.gz BYEWCLPWTAZGAA-FRRDWIJNSA-N 2 2 296.415 -0.075 20 0 CBADLP CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)CC[NH+]1CC(N)=O ZINC001087725104 810305518 /nfs/dbraw/zinc/30/55/18/810305518.db2.gz BYEWCLPWTAZGAA-FRRDWIJNSA-N 2 2 296.415 -0.075 20 0 CBADLP CC[C@@H]1[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)CC[NH+]1CC(N)=O ZINC001087725104 810305522 /nfs/dbraw/zinc/30/55/22/810305522.db2.gz BYEWCLPWTAZGAA-FRRDWIJNSA-N 2 2 296.415 -0.075 20 0 CBADLP CC[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[N@@H+]1CC(N)=O ZINC001087797907 810308621 /nfs/dbraw/zinc/30/86/21/810308621.db2.gz PHWKNKJCXWCFDB-NWDGAFQWSA-N 2 2 293.371 -0.583 20 0 CBADLP CC[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[N@H+]1CC(N)=O ZINC001087797907 810308625 /nfs/dbraw/zinc/30/86/25/810308625.db2.gz PHWKNKJCXWCFDB-NWDGAFQWSA-N 2 2 293.371 -0.583 20 0 CBADLP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1CC(N)=O ZINC001087829604 810309205 /nfs/dbraw/zinc/30/92/05/810309205.db2.gz MTDWVRZYWWPRTH-NWDGAFQWSA-N 2 2 282.388 -0.463 20 0 CBADLP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1CC(N)=O ZINC001087829604 810309198 /nfs/dbraw/zinc/30/91/98/810309198.db2.gz MTDWVRZYWWPRTH-NWDGAFQWSA-N 2 2 282.388 -0.463 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC[N@@H+]1CC(N)=O ZINC001088666415 810349826 /nfs/dbraw/zinc/34/98/26/810349826.db2.gz GWNZQFASUQFRKS-WOPDTQHZSA-N 2 2 282.388 -0.465 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC[N@H+]1CC(N)=O ZINC001088666415 810349840 /nfs/dbraw/zinc/34/98/40/810349840.db2.gz GWNZQFASUQFRKS-WOPDTQHZSA-N 2 2 282.388 -0.465 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC[NH+]1CC(N)=O ZINC001088666415 810349848 /nfs/dbraw/zinc/34/98/48/810349848.db2.gz GWNZQFASUQFRKS-WOPDTQHZSA-N 2 2 282.388 -0.465 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC[NH+]1CC(N)=O ZINC001088666415 810349855 /nfs/dbraw/zinc/34/98/55/810349855.db2.gz GWNZQFASUQFRKS-WOPDTQHZSA-N 2 2 282.388 -0.465 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CC[NH+]1CC(N)=O ZINC001088860154 810361933 /nfs/dbraw/zinc/36/19/33/810361933.db2.gz XVHCLEUKCYYGMQ-TUAOUCFPSA-N 2 2 282.388 -0.608 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CC[NH+]1CC(N)=O ZINC001088860154 810361942 /nfs/dbraw/zinc/36/19/42/810361942.db2.gz XVHCLEUKCYYGMQ-TUAOUCFPSA-N 2 2 282.388 -0.608 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC[N@@H+]1CC(N)=O ZINC001088860154 810361951 /nfs/dbraw/zinc/36/19/51/810361951.db2.gz XVHCLEUKCYYGMQ-TUAOUCFPSA-N 2 2 282.388 -0.608 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC[N@H+]1CC(N)=O ZINC001088860154 810361959 /nfs/dbraw/zinc/36/19/59/810361959.db2.gz XVHCLEUKCYYGMQ-TUAOUCFPSA-N 2 2 282.388 -0.608 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[N@@H+]1CCCO ZINC001088981619 810371118 /nfs/dbraw/zinc/37/11/18/810371118.db2.gz DOHOXZZLMDRZML-YPMHNXCESA-N 2 2 280.372 -0.076 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[N@H+]1CCCO ZINC001088981619 810371122 /nfs/dbraw/zinc/37/11/22/810371122.db2.gz DOHOXZZLMDRZML-YPMHNXCESA-N 2 2 280.372 -0.076 20 0 CBADLP C[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H]1C ZINC001089074153 810377465 /nfs/dbraw/zinc/37/74/65/810377465.db2.gz INADNZVYZOETTN-UTUOFQBUSA-N 2 2 266.345 -0.157 20 0 CBADLP C[C@@H](O)C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H]1C ZINC001089074153 810377472 /nfs/dbraw/zinc/37/74/72/810377472.db2.gz INADNZVYZOETTN-UTUOFQBUSA-N 2 2 266.345 -0.157 20 0 CBADLP CC[N@@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@@H](O)C1 ZINC001090382014 810486138 /nfs/dbraw/zinc/48/61/38/810486138.db2.gz NWHIDDYMPJELHM-YPMHNXCESA-N 2 2 296.371 -0.079 20 0 CBADLP CC[N@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@@H](O)C1 ZINC001090382014 810486143 /nfs/dbraw/zinc/48/61/43/810486143.db2.gz NWHIDDYMPJELHM-YPMHNXCESA-N 2 2 296.371 -0.079 20 0 CBADLP C[NH2+][C@H]1CCN1c1nc2c(c(N3CCOCC3)n1)C[NH2+]C2 ZINC001156658688 815372692 /nfs/dbraw/zinc/37/26/92/815372692.db2.gz IHYQNNYBLQKYJT-GFCCVEGCSA-N 2 2 290.371 -0.328 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CC[N@@H+](CCCF)C[C@@H]1O ZINC001090675698 810546214 /nfs/dbraw/zinc/54/62/14/810546214.db2.gz KKRYEVPBLJVZTE-MNOVXSKESA-N 2 2 284.335 -0.137 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CC[N@H+](CCCF)C[C@@H]1O ZINC001090675698 810546221 /nfs/dbraw/zinc/54/62/21/810546221.db2.gz KKRYEVPBLJVZTE-MNOVXSKESA-N 2 2 284.335 -0.137 20 0 CBADLP CC(C)[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001090679742 810548521 /nfs/dbraw/zinc/54/85/21/810548521.db2.gz QIKIYPJTPHJSDA-GHMZBOCLSA-N 2 2 266.345 -0.088 20 0 CBADLP CC(C)[N@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001090679742 810548527 /nfs/dbraw/zinc/54/85/27/810548527.db2.gz QIKIYPJTPHJSDA-GHMZBOCLSA-N 2 2 266.345 -0.088 20 0 CBADLP COCC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001090678668 810548601 /nfs/dbraw/zinc/54/86/01/810548601.db2.gz IPZSGLVYQDDRLI-GHMZBOCLSA-N 2 2 282.344 -0.850 20 0 CBADLP COCC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001090678668 810548608 /nfs/dbraw/zinc/54/86/08/810548608.db2.gz IPZSGLVYQDDRLI-GHMZBOCLSA-N 2 2 282.344 -0.850 20 0 CBADLP CC(C)[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001090679743 810549749 /nfs/dbraw/zinc/54/97/49/810549749.db2.gz QIKIYPJTPHJSDA-MNOVXSKESA-N 2 2 266.345 -0.088 20 0 CBADLP CC(C)[N@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001090679743 810549754 /nfs/dbraw/zinc/54/97/54/810549754.db2.gz QIKIYPJTPHJSDA-MNOVXSKESA-N 2 2 266.345 -0.088 20 0 CBADLP CC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@H](O)C1 ZINC001090728340 810556695 /nfs/dbraw/zinc/55/66/95/810556695.db2.gz RFGWVMRPFRHOSP-VXGBXAGGSA-N 2 2 266.345 -0.466 20 0 CBADLP CC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@H](O)C1 ZINC001090728340 810556700 /nfs/dbraw/zinc/55/67/00/810556700.db2.gz RFGWVMRPFRHOSP-VXGBXAGGSA-N 2 2 266.345 -0.466 20 0 CBADLP COCC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H](O)C1 ZINC001090763447 810561975 /nfs/dbraw/zinc/56/19/75/810561975.db2.gz IKOFOVLHDQCENA-WCQYABFASA-N 2 2 296.371 -0.542 20 0 CBADLP COCC[N@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H](O)C1 ZINC001090763447 810561979 /nfs/dbraw/zinc/56/19/79/810561979.db2.gz IKOFOVLHDQCENA-WCQYABFASA-N 2 2 296.371 -0.542 20 0 CBADLP CC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H](O)C1 ZINC001090763156 810562526 /nfs/dbraw/zinc/56/25/26/810562526.db2.gz DYVYASWMTLHORU-CMPLNLGQSA-N 2 2 266.345 -0.168 20 0 CBADLP CC[N@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H](O)C1 ZINC001090763156 810562534 /nfs/dbraw/zinc/56/25/34/810562534.db2.gz DYVYASWMTLHORU-CMPLNLGQSA-N 2 2 266.345 -0.168 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@@H+](CCCF)C[C@H]1O ZINC001090847286 810575007 /nfs/dbraw/zinc/57/50/07/810575007.db2.gz QLKFBWCXYKLOBF-VXGBXAGGSA-N 2 2 284.335 -0.206 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@H+](CCCF)C[C@H]1O ZINC001090847286 810575008 /nfs/dbraw/zinc/57/50/08/810575008.db2.gz QLKFBWCXYKLOBF-VXGBXAGGSA-N 2 2 284.335 -0.206 20 0 CBADLP CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H](O)C1 ZINC001090851124 810575423 /nfs/dbraw/zinc/57/54/23/810575423.db2.gz ZESNCAWSTSWROL-WDEREUQCSA-N 2 2 252.318 -0.546 20 0 CBADLP CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H](O)C1 ZINC001090851124 810575429 /nfs/dbraw/zinc/57/54/29/810575429.db2.gz ZESNCAWSTSWROL-WDEREUQCSA-N 2 2 252.318 -0.546 20 0 CBADLP CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001156942423 815390981 /nfs/dbraw/zinc/39/09/81/815390981.db2.gz QLAVVMUXKFRIKK-SNVBAGLBSA-N 2 2 281.360 -0.497 20 0 CBADLP CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001156942423 815390989 /nfs/dbraw/zinc/39/09/89/815390989.db2.gz QLAVVMUXKFRIKK-SNVBAGLBSA-N 2 2 281.360 -0.497 20 0 CBADLP NC(=O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cc[nH+]c1)C2 ZINC001095068000 810737657 /nfs/dbraw/zinc/73/76/57/810737657.db2.gz SPSCUGAJKQDYLI-TUAOUCFPSA-N 2 2 291.355 -0.663 20 0 CBADLP CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001095240811 810744744 /nfs/dbraw/zinc/74/47/44/810744744.db2.gz FLRCFJJLKPHHHE-VOAKCMCISA-N 2 2 294.399 -0.452 20 0 CBADLP CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001095240811 810744750 /nfs/dbraw/zinc/74/47/50/810744750.db2.gz FLRCFJJLKPHHHE-VOAKCMCISA-N 2 2 294.399 -0.452 20 0 CBADLP CNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C2 ZINC001095240811 810744756 /nfs/dbraw/zinc/74/47/56/810744756.db2.gz FLRCFJJLKPHHHE-VOAKCMCISA-N 2 2 294.399 -0.452 20 0 CBADLP CNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)C2 ZINC001095240811 810744760 /nfs/dbraw/zinc/74/47/60/810744760.db2.gz FLRCFJJLKPHHHE-VOAKCMCISA-N 2 2 294.399 -0.452 20 0 CBADLP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(N)=O)C1 ZINC001098219659 810836273 /nfs/dbraw/zinc/83/62/73/810836273.db2.gz OJJUQXRZIXKFFJ-LPWJVIDDSA-N 2 2 294.399 -0.465 20 0 CBADLP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(N)=O)C1 ZINC001098219659 810836282 /nfs/dbraw/zinc/83/62/82/810836282.db2.gz OJJUQXRZIXKFFJ-LPWJVIDDSA-N 2 2 294.399 -0.465 20 0 CBADLP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(N)=O)C1 ZINC001098219659 810836285 /nfs/dbraw/zinc/83/62/85/810836285.db2.gz OJJUQXRZIXKFFJ-LPWJVIDDSA-N 2 2 294.399 -0.465 20 0 CBADLP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(N)=O)C1 ZINC001098219659 810836294 /nfs/dbraw/zinc/83/62/94/810836294.db2.gz OJJUQXRZIXKFFJ-LPWJVIDDSA-N 2 2 294.399 -0.465 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCO ZINC001098218161 810836884 /nfs/dbraw/zinc/83/68/84/810836884.db2.gz XVTOAGBUQPVZTJ-RTXFEEFZSA-N 2 2 278.356 -0.324 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO ZINC001098218161 810836889 /nfs/dbraw/zinc/83/68/89/810836889.db2.gz XVTOAGBUQPVZTJ-RTXFEEFZSA-N 2 2 278.356 -0.324 20 0 CBADLP CCOC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]([NH3+])CCC[NH3+] ZINC001157081874 815403746 /nfs/dbraw/zinc/40/37/46/815403746.db2.gz DIMBDQOTWLOLMP-MNOVXSKESA-N 3 2 297.359 -0.934 20 0 CBADLP CCOC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]([NH3+])CCC[NH3+] ZINC001157081874 815403748 /nfs/dbraw/zinc/40/37/48/815403748.db2.gz DIMBDQOTWLOLMP-MNOVXSKESA-N 3 2 297.359 -0.934 20 0 CBADLP CC[N@@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)[C@H](O)C1 ZINC001099872041 810957761 /nfs/dbraw/zinc/95/77/61/810957761.db2.gz NUVOIPREGAFSCZ-NWDGAFQWSA-N 2 2 266.345 -0.086 20 0 CBADLP CC[N@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)[C@H](O)C1 ZINC001099872041 810957770 /nfs/dbraw/zinc/95/77/70/810957770.db2.gz NUVOIPREGAFSCZ-NWDGAFQWSA-N 2 2 266.345 -0.086 20 0 CBADLP CC[N@@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)[C@H](O)C1 ZINC001099872041 810957780 /nfs/dbraw/zinc/95/77/80/810957780.db2.gz NUVOIPREGAFSCZ-NWDGAFQWSA-N 2 2 266.345 -0.086 20 0 CBADLP CC[N@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)[C@H](O)C1 ZINC001099872041 810957785 /nfs/dbraw/zinc/95/77/85/810957785.db2.gz NUVOIPREGAFSCZ-NWDGAFQWSA-N 2 2 266.345 -0.086 20 0 CBADLP CC[N@@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)[C@H](O)C1 ZINC001099940570 810971999 /nfs/dbraw/zinc/97/19/99/810971999.db2.gz YATLSNKOSPVLST-NWDGAFQWSA-N 2 2 266.345 -0.156 20 0 CBADLP CC[N@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)[C@H](O)C1 ZINC001099940570 810972006 /nfs/dbraw/zinc/97/20/06/810972006.db2.gz YATLSNKOSPVLST-NWDGAFQWSA-N 2 2 266.345 -0.156 20 0 CBADLP CCOCC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001100017012 810993965 /nfs/dbraw/zinc/99/39/65/810993965.db2.gz CPAKRUHRKGCUTK-OLZOCXBDSA-N 2 2 296.371 -0.460 20 0 CBADLP CCOCC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001100017012 810993970 /nfs/dbraw/zinc/99/39/70/810993970.db2.gz CPAKRUHRKGCUTK-OLZOCXBDSA-N 2 2 296.371 -0.460 20 0 CBADLP O=C(CCc1[nH]cc[nH+]1)NCCC[NH2+]CCCO ZINC001157265783 815415504 /nfs/dbraw/zinc/41/55/04/815415504.db2.gz XDQQWNYMMHLAPD-UHFFFAOYSA-N 2 2 254.334 -0.179 20 0 CBADLP O=C(CCc1[nH]cc[nH+]1)NCCC[NH2+]CC(=O)N1CCC1 ZINC001157256898 815415518 /nfs/dbraw/zinc/41/55/18/815415518.db2.gz KOAMDEJHBCSBDM-UHFFFAOYSA-N 2 2 293.371 -0.330 20 0 CBADLP COC[C@H](O)C[NH2+]CCCNC(=O)CCc1[nH]cc[nH+]1 ZINC001157264463 815415779 /nfs/dbraw/zinc/41/57/79/815415779.db2.gz GAQDYILZIHBHCK-LLVKDONJSA-N 2 2 284.360 -0.555 20 0 CBADLP O=C(CCc1[nH]cc[nH+]1)NCCC[NH2+][C@H]1CCNC1=O ZINC001157265475 815415821 /nfs/dbraw/zinc/41/58/21/815415821.db2.gz SEWQTEAEEHCKSV-JTQLQIEISA-N 2 2 279.344 -0.673 20 0 CBADLP C[C@H]([NH2+]CCCNC(=O)CCc1[nH]cc[nH+]1)C(N)=O ZINC001157264454 815415897 /nfs/dbraw/zinc/41/58/97/815415897.db2.gz FUSRJWBXGNLLJP-VIFPVBQESA-N 2 2 267.333 -0.688 20 0 CBADLP C[C@@H]([NH2+]CCCNC(=O)CCc1[nH]cc[nH+]1)C(N)=O ZINC001157264453 815416112 /nfs/dbraw/zinc/41/61/12/815416112.db2.gz FUSRJWBXGNLLJP-SECBINFHSA-N 2 2 267.333 -0.688 20 0 CBADLP Cn1ncc(C[NH2+]CCCNC(=O)CCc2[nH]cc[nH+]2)n1 ZINC001157257572 815416299 /nfs/dbraw/zinc/41/62/99/815416299.db2.gz USLUKSHDRQVVPA-UHFFFAOYSA-N 2 2 291.359 -0.233 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)NCC1CC([NH2+]CCO)C1 ZINC001100392564 811055781 /nfs/dbraw/zinc/05/57/81/811055781.db2.gz NWHAWJPNOCELCG-UHFFFAOYSA-N 2 2 266.345 -0.181 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)NCC1CC([NH2+]CCO)C1 ZINC001100392564 811055789 /nfs/dbraw/zinc/05/57/89/811055789.db2.gz NWHAWJPNOCELCG-UHFFFAOYSA-N 2 2 266.345 -0.181 20 0 CBADLP CC[C@@H]([NH2+]C1CC(CNC(=O)Cc2c[nH]c[nH+]2)C1)C(N)=O ZINC001100710079 811075114 /nfs/dbraw/zinc/07/51/14/811075114.db2.gz BAPMVIZMRYLYSM-RTYFJBAXSA-N 2 2 293.371 -0.300 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]C1CC(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001100710097 811075251 /nfs/dbraw/zinc/07/52/51/811075251.db2.gz BQXSYPVORRWPGY-WHXUTIOJSA-N 2 2 293.371 -0.429 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NCC1CC([NH2+]CCOCCO)C1 ZINC001100789535 811079400 /nfs/dbraw/zinc/07/94/00/811079400.db2.gz DERLSFKJDRXBRQ-UHFFFAOYSA-N 2 2 296.371 -0.555 20 0 CBADLP CC[C@H]([NH2+]C1CC(CNC(=O)Cc2[nH]cc[nH+]2)C1)C(N)=O ZINC001100790099 811080238 /nfs/dbraw/zinc/08/02/38/811080238.db2.gz OKOXTDKFWFMTAG-ILDUYXDCSA-N 2 2 293.371 -0.300 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCC1CC([NH2+]CC(N)=O)C1 ZINC001100918457 811084339 /nfs/dbraw/zinc/08/43/39/811084339.db2.gz XAUHLGVLZCRXBC-UHFFFAOYSA-N 2 2 279.344 -0.770 20 0 CBADLP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001101926812 811138717 /nfs/dbraw/zinc/13/87/17/811138717.db2.gz PYJDWENOYIVZNF-GHMZBOCLSA-N 2 2 293.371 -0.488 20 0 CBADLP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001101926812 811138727 /nfs/dbraw/zinc/13/87/27/811138727.db2.gz PYJDWENOYIVZNF-GHMZBOCLSA-N 2 2 293.371 -0.488 20 0 CBADLP C[C@@H]1C[N@H+](CCO)C[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001102513391 811157522 /nfs/dbraw/zinc/15/75/22/811157522.db2.gz IKPLGNMXEPHJAT-VXGBXAGGSA-N 2 2 280.372 -0.361 20 0 CBADLP C[C@@H]1C[N@@H+](CCO)C[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001102513391 811157525 /nfs/dbraw/zinc/15/75/25/811157525.db2.gz IKPLGNMXEPHJAT-VXGBXAGGSA-N 2 2 280.372 -0.361 20 0 CBADLP C[C@@H]1C[N@H+](CCCO)C[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001102615497 811162012 /nfs/dbraw/zinc/16/20/12/811162012.db2.gz DHWCIBZOSSCUOS-CHWSQXEVSA-N 2 2 280.372 -0.050 20 0 CBADLP C[C@@H]1C[N@@H+](CCCO)C[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001102615497 811162015 /nfs/dbraw/zinc/16/20/15/811162015.db2.gz DHWCIBZOSSCUOS-CHWSQXEVSA-N 2 2 280.372 -0.050 20 0 CBADLP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001103472401 811182529 /nfs/dbraw/zinc/18/25/29/811182529.db2.gz QUMVZHOVCWAYPR-GHMZBOCLSA-N 2 2 293.371 -0.488 20 0 CBADLP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001103472401 811182535 /nfs/dbraw/zinc/18/25/35/811182535.db2.gz QUMVZHOVCWAYPR-GHMZBOCLSA-N 2 2 293.371 -0.488 20 0 CBADLP C[C@H](NC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2)[C@@H]1CCCO1 ZINC001157423085 815431976 /nfs/dbraw/zinc/43/19/76/815431976.db2.gz JNNNUBNEMPFRJP-ZPFDUUQYSA-N 2 2 253.346 -0.378 20 0 CBADLP Cc1cc(N(C(N)=[NH2+])C(=O)[C@@H]([NH3+])Cc2cncn2C)n[nH]1 ZINC001157440115 815434049 /nfs/dbraw/zinc/43/40/49/815434049.db2.gz TZSCHRLBTZLMCE-VIFPVBQESA-N 2 2 290.331 -0.752 20 0 CBADLP OCC1(Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)COC1 ZINC001157396109 815431104 /nfs/dbraw/zinc/43/11/04/815431104.db2.gz VNJWOJZDLZBPAP-UHFFFAOYSA-N 2 2 264.329 -0.336 20 0 CBADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C[NH2+]CCO ZINC001106498849 811306558 /nfs/dbraw/zinc/30/65/58/811306558.db2.gz SIZFEGIYRCSCDE-CHWSQXEVSA-N 2 2 280.372 -0.050 20 0 CBADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+]CC(N)=O ZINC001106705025 811314603 /nfs/dbraw/zinc/31/46/03/811314603.db2.gz NVBFFJZWCOIJGT-NXEZZACHSA-N 2 2 279.344 -0.878 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C[NH2+]CCO)[C@H](C)C1 ZINC001106922764 811317600 /nfs/dbraw/zinc/31/76/00/811317600.db2.gz LGNBHTPNWIMVBB-ZYHUDNBSSA-N 2 2 280.372 -0.063 20 0 CBADLP C[C@H]([NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C)C(N)=O ZINC001106799782 811318224 /nfs/dbraw/zinc/31/82/24/811318224.db2.gz QWRLXZKQSMVPSS-OUAUKWLOSA-N 2 2 293.371 -0.490 20 0 CBADLP C[C@H]([NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C)C(N)=O ZINC001107078707 811324632 /nfs/dbraw/zinc/32/46/32/811324632.db2.gz JWIKVGQADOXOCY-GRYCIOLGSA-N 2 2 293.371 -0.559 20 0 CBADLP CNC(=O)C1CCN(C(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)CC1 ZINC001157496558 815439603 /nfs/dbraw/zinc/43/96/03/815439603.db2.gz XNSISQRBLGSJPD-NSHDSACASA-N 2 2 279.344 -0.736 20 0 CBADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)N2CCn3cnnc3C2)cc1 ZINC001157507293 815439860 /nfs/dbraw/zinc/43/98/60/815439860.db2.gz HWOAQQCQVKRRMU-LBPRGKRZSA-N 2 2 286.339 -0.107 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@]1(C)C[NH+](CCCO)CCO1 ZINC001107817421 811374906 /nfs/dbraw/zinc/37/49/06/811374906.db2.gz QLGUBODBLATCAH-ZFWWWQNUSA-N 2 2 299.415 -0.330 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@@]1(C)C[NH+](CCCO)CCO1 ZINC001107817421 811374916 /nfs/dbraw/zinc/37/49/16/811374916.db2.gz QLGUBODBLATCAH-ZFWWWQNUSA-N 2 2 299.415 -0.330 20 0 CBADLP C[NH+]1CCC[C@H]1C(=O)NC[C@@]1(C)C[N@H+](CCCO)CCO1 ZINC001107817421 811374926 /nfs/dbraw/zinc/37/49/26/811374926.db2.gz QLGUBODBLATCAH-ZFWWWQNUSA-N 2 2 299.415 -0.330 20 0 CBADLP C[NH+]1CCC[C@H]1C(=O)NC[C@@]1(C)C[N@@H+](CCCO)CCO1 ZINC001107817421 811374936 /nfs/dbraw/zinc/37/49/36/811374936.db2.gz QLGUBODBLATCAH-ZFWWWQNUSA-N 2 2 299.415 -0.330 20 0 CBADLP CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001107838838 811380668 /nfs/dbraw/zinc/38/06/68/811380668.db2.gz GGZRCPZARZOOJA-OCCSQVGLSA-N 2 2 285.388 -0.456 20 0 CBADLP CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001107838838 811380677 /nfs/dbraw/zinc/38/06/77/811380677.db2.gz GGZRCPZARZOOJA-OCCSQVGLSA-N 2 2 285.388 -0.456 20 0 CBADLP CC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001107838838 811380686 /nfs/dbraw/zinc/38/06/86/811380686.db2.gz GGZRCPZARZOOJA-OCCSQVGLSA-N 2 2 285.388 -0.456 20 0 CBADLP CC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001107838838 811380694 /nfs/dbraw/zinc/38/06/94/811380694.db2.gz GGZRCPZARZOOJA-OCCSQVGLSA-N 2 2 285.388 -0.456 20 0 CBADLP CC(C)[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001107839239 811380921 /nfs/dbraw/zinc/38/09/21/811380921.db2.gz KVAJSBXBTCZEDJ-HIFRSBDPSA-N 2 2 299.415 -0.068 20 0 CBADLP CC(C)[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001107839239 811380931 /nfs/dbraw/zinc/38/09/31/811380931.db2.gz KVAJSBXBTCZEDJ-HIFRSBDPSA-N 2 2 299.415 -0.068 20 0 CBADLP CC(C)[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001107839239 811380946 /nfs/dbraw/zinc/38/09/46/811380946.db2.gz KVAJSBXBTCZEDJ-HIFRSBDPSA-N 2 2 299.415 -0.068 20 0 CBADLP CC(C)[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001107839239 811380955 /nfs/dbraw/zinc/38/09/55/811380955.db2.gz KVAJSBXBTCZEDJ-HIFRSBDPSA-N 2 2 299.415 -0.068 20 0 CBADLP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@]1(C)C[NH+](CCO)CCO1 ZINC001108023726 811404009 /nfs/dbraw/zinc/40/40/09/811404009.db2.gz FKUQZEMFCCNUQK-ZFWWWQNUSA-N 2 2 299.415 -0.330 20 0 CBADLP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@]1(C)C[NH+](CCO)CCO1 ZINC001108023726 811404016 /nfs/dbraw/zinc/40/40/16/811404016.db2.gz FKUQZEMFCCNUQK-ZFWWWQNUSA-N 2 2 299.415 -0.330 20 0 CBADLP C[NH+]1CCCC[C@H]1C(=O)NC[C@@]1(C)C[N@H+](CCO)CCO1 ZINC001108023726 811404021 /nfs/dbraw/zinc/40/40/21/811404021.db2.gz FKUQZEMFCCNUQK-ZFWWWQNUSA-N 2 2 299.415 -0.330 20 0 CBADLP C[NH+]1CCCC[C@H]1C(=O)NC[C@@]1(C)C[N@@H+](CCO)CCO1 ZINC001108023726 811404025 /nfs/dbraw/zinc/40/40/25/811404025.db2.gz FKUQZEMFCCNUQK-ZFWWWQNUSA-N 2 2 299.415 -0.330 20 0 CBADLP C[C@@H](O)C[N@@H+]1CCO[C@](C)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001108439417 811445098 /nfs/dbraw/zinc/44/50/98/811445098.db2.gz JSWBIXLLAYCIOM-TZMCWYRMSA-N 2 2 296.371 -0.529 20 0 CBADLP C[C@@H](O)C[N@H+]1CCO[C@](C)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001108439417 811445107 /nfs/dbraw/zinc/44/51/07/811445107.db2.gz JSWBIXLLAYCIOM-TZMCWYRMSA-N 2 2 296.371 -0.529 20 0 CBADLP C[C@@]1(CNC(=O)C[NH+]2CCCC2)C[N@H+](CCCO)CCO1 ZINC001108398663 811445236 /nfs/dbraw/zinc/44/52/36/811445236.db2.gz JOKHVAOUDIWBTH-OAHLLOKOSA-N 2 2 299.415 -0.328 20 0 CBADLP C[C@@]1(CNC(=O)C[NH+]2CCCC2)C[N@@H+](CCCO)CCO1 ZINC001108398663 811445243 /nfs/dbraw/zinc/44/52/43/811445243.db2.gz JOKHVAOUDIWBTH-OAHLLOKOSA-N 2 2 299.415 -0.328 20 0 CBADLP CC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001108408730 811445854 /nfs/dbraw/zinc/44/58/54/811445854.db2.gz JUZBJCPUXLZJCO-HIFRSBDPSA-N 2 2 299.415 -0.066 20 0 CBADLP CC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001108408730 811445857 /nfs/dbraw/zinc/44/58/57/811445857.db2.gz JUZBJCPUXLZJCO-HIFRSBDPSA-N 2 2 299.415 -0.066 20 0 CBADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@@]2(C)C[N@H+](CC)CCO2)C1 ZINC001108408730 811445863 /nfs/dbraw/zinc/44/58/63/811445863.db2.gz JUZBJCPUXLZJCO-HIFRSBDPSA-N 2 2 299.415 -0.066 20 0 CBADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@@]2(C)C[N@@H+](CC)CCO2)C1 ZINC001108408730 811445864 /nfs/dbraw/zinc/44/58/64/811445864.db2.gz JUZBJCPUXLZJCO-HIFRSBDPSA-N 2 2 299.415 -0.066 20 0 CBADLP C[C@H](O)C[N@@H+]1CCO[C@@](C)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001108439415 811446027 /nfs/dbraw/zinc/44/60/27/811446027.db2.gz JSWBIXLLAYCIOM-JSGCOSHPSA-N 2 2 296.371 -0.529 20 0 CBADLP C[C@H](O)C[N@H+]1CCO[C@@](C)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001108439415 811446033 /nfs/dbraw/zinc/44/60/33/811446033.db2.gz JSWBIXLLAYCIOM-JSGCOSHPSA-N 2 2 296.371 -0.529 20 0 CBADLP CC[NH+]1CCO[C@@](C)(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001108408732 811446089 /nfs/dbraw/zinc/44/60/89/811446089.db2.gz JUZBJCPUXLZJCO-ZFWWWQNUSA-N 2 2 299.415 -0.066 20 0 CBADLP CC[NH+]1CCO[C@@](C)(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001108408732 811446093 /nfs/dbraw/zinc/44/60/93/811446093.db2.gz JUZBJCPUXLZJCO-ZFWWWQNUSA-N 2 2 299.415 -0.066 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@]2(C)C[N@H+](CC)CCO2)C1 ZINC001108408732 811446098 /nfs/dbraw/zinc/44/60/98/811446098.db2.gz JUZBJCPUXLZJCO-ZFWWWQNUSA-N 2 2 299.415 -0.066 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@]2(C)C[N@@H+](CC)CCO2)C1 ZINC001108408732 811446102 /nfs/dbraw/zinc/44/61/02/811446102.db2.gz JUZBJCPUXLZJCO-ZFWWWQNUSA-N 2 2 299.415 -0.066 20 0 CBADLP C[C@@]1(CNC(=O)C[NH+]2CCCC2)C[N@H+](CCO)CCO1 ZINC001108398090 811446410 /nfs/dbraw/zinc/44/64/10/811446410.db2.gz ADEREISTMDMNSU-CQSZACIVSA-N 2 2 285.388 -0.718 20 0 CBADLP C[C@@]1(CNC(=O)C[NH+]2CCCC2)C[N@@H+](CCO)CCO1 ZINC001108398090 811446418 /nfs/dbraw/zinc/44/64/18/811446418.db2.gz ADEREISTMDMNSU-CQSZACIVSA-N 2 2 285.388 -0.718 20 0 CBADLP CCn1nnc2c1[C@H](C(=O)N1CC(C)([NH3+])C1)C[NH2+]C2 ZINC001157629856 815449138 /nfs/dbraw/zinc/44/91/38/815449138.db2.gz VXBKZCXKPQAFNX-MRVPVSSYSA-N 2 2 264.333 -0.956 20 0 CBADLP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(N)=O)CC1 ZINC001109649832 811498361 /nfs/dbraw/zinc/49/83/61/811498361.db2.gz GNRBEDLECDAFHN-WOPDTQHZSA-N 2 2 294.399 -0.465 20 0 CBADLP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(N)=O)CC1 ZINC001109649832 811498364 /nfs/dbraw/zinc/49/83/64/811498364.db2.gz GNRBEDLECDAFHN-WOPDTQHZSA-N 2 2 294.399 -0.465 20 0 CBADLP CN(Cc1ncccn1)C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001157682174 815453069 /nfs/dbraw/zinc/45/30/69/815453069.db2.gz YTRRMWBYSRKXHU-JTQLQIEISA-N 2 2 260.301 -0.272 20 0 CBADLP O=C(N1CC(F)(C2CC2)C1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001157703000 815454419 /nfs/dbraw/zinc/45/44/19/815454419.db2.gz GTTYSKNNDXIKFQ-ZWNOBZJWSA-N 2 2 253.321 -0.102 20 0 CBADLP CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O)[NH+](C)C ZINC001110693091 811530068 /nfs/dbraw/zinc/53/00/68/811530068.db2.gz CDIRDWDNDVBRAV-NMKXLXIOSA-N 2 2 296.415 -0.221 20 0 CBADLP CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O)[NH+](C)C ZINC001110693091 811530073 /nfs/dbraw/zinc/53/00/73/811530073.db2.gz CDIRDWDNDVBRAV-NMKXLXIOSA-N 2 2 296.415 -0.221 20 0 CBADLP O=C(N1CC(F)(C2CC2)C1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001157702997 815454578 /nfs/dbraw/zinc/45/45/78/815454578.db2.gz GTTYSKNNDXIKFQ-GWCFXTLKSA-N 2 2 253.321 -0.102 20 0 CBADLP C[NH+](C)CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(N)=O)CC1 ZINC001110953915 811533254 /nfs/dbraw/zinc/53/32/54/811533254.db2.gz GNRBEDLECDAFHN-UTUOFQBUSA-N 2 2 294.399 -0.465 20 0 CBADLP C[NH+](C)CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(N)=O)CC1 ZINC001110953915 811533261 /nfs/dbraw/zinc/53/32/61/811533261.db2.gz GNRBEDLECDAFHN-UTUOFQBUSA-N 2 2 294.399 -0.465 20 0 CBADLP O=C(N1CCOCC(F)(F)C1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001157708556 815455739 /nfs/dbraw/zinc/45/57/39/815455739.db2.gz WAICUUQJJOEQQR-CABZTGNLSA-N 2 2 275.299 -0.568 20 0 CBADLP COC(=O)[C@]1(F)CCN(C(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)C1 ZINC001157715266 815455966 /nfs/dbraw/zinc/45/59/66/815455966.db2.gz DCQWLSVXWLRMNS-XDTLVQLUSA-N 2 2 285.319 -0.949 20 0 CBADLP COC(=O)[C@@]1(F)CCN(C(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)C1 ZINC001157717201 815456723 /nfs/dbraw/zinc/45/67/23/815456723.db2.gz YPTMGEKLYRBDQQ-BXKDBHETSA-N 2 2 284.291 -0.607 20 0 CBADLP CN(C[C@H]1C[NH2+]CCO1)C(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001157720230 815456796 /nfs/dbraw/zinc/45/67/96/815456796.db2.gz DBAWKQPSJUEPRR-ZIAGYGMSSA-N 3 2 292.383 -0.295 20 0 CBADLP CN(C[C@@H]1C[NH2+]CCO1)C(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001157720227 815456818 /nfs/dbraw/zinc/45/68/18/815456818.db2.gz DBAWKQPSJUEPRR-KBPBESRZSA-N 3 2 292.383 -0.295 20 0 CBADLP [NH3+]C1(C(=O)N2C[C@@H](F)C[C@H](CO)C2)CC[NH2+]CC1 ZINC001157728804 815457026 /nfs/dbraw/zinc/45/70/26/815457026.db2.gz BRCZKSSLIMUABG-UWVGGRQHSA-N 2 2 259.325 -0.754 20 0 CBADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC(F)(F)CC[C@@H]1CO ZINC001157730397 815458020 /nfs/dbraw/zinc/45/80/20/815458020.db2.gz KLFRKINBQRGADP-NXEZZACHSA-N 2 2 288.298 -0.102 20 0 CBADLP O=C(N1C[C@H](F)C[C@H](CO)C1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001157730109 815458295 /nfs/dbraw/zinc/45/82/95/815458295.db2.gz JZDKLMMDRMPKQZ-MEWQQHAOSA-N 2 2 271.336 -0.883 20 0 CBADLP C[C@H](O)CCC[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001112739892 811592136 /nfs/dbraw/zinc/59/21/36/811592136.db2.gz RLSDSVWTTWGFEV-KBPBESRZSA-N 2 2 299.415 -0.378 20 0 CBADLP C[C@H](O)CCC[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001112739892 811592139 /nfs/dbraw/zinc/59/21/39/811592139.db2.gz RLSDSVWTTWGFEV-KBPBESRZSA-N 2 2 299.415 -0.378 20 0 CBADLP O=C(N1CCC[C@H](F)C(=O)C1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001157731047 815459542 /nfs/dbraw/zinc/45/95/42/815459542.db2.gz UXVNOGIHEGQWSA-KWBADKCTSA-N 2 2 269.320 -0.533 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CC(F)(F)CC[C@@H]2CO)C1 ZINC001157731386 815459826 /nfs/dbraw/zinc/45/98/26/815459826.db2.gz XMSRXNQCPKAXSU-HLTSFMKQSA-N 2 2 263.288 -0.706 20 0 CBADLP [NH3+]C[C@]1(F)CCCN(C(=O)CN2CC[NH2+]CC2=O)CC1 ZINC001157741475 815460556 /nfs/dbraw/zinc/46/05/56/815460556.db2.gz XMLVQSFYSSNFNN-ZDUSSCGKSA-N 2 2 286.351 -0.902 20 0 CBADLP COC[C@@H](O)C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001113346205 811633325 /nfs/dbraw/zinc/63/33/25/811633325.db2.gz SBMMLRUPXFQJRZ-KBPBESRZSA-N 2 2 299.415 -0.520 20 0 CBADLP COC[C@@H](O)C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001113346205 811633333 /nfs/dbraw/zinc/63/33/33/811633333.db2.gz SBMMLRUPXFQJRZ-KBPBESRZSA-N 2 2 299.415 -0.520 20 0 CBADLP COCC[NH+]1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001113538592 811645581 /nfs/dbraw/zinc/64/55/81/811645581.db2.gz WQYBQBSAJTXGEK-UHFFFAOYSA-N 2 2 273.377 -0.645 20 0 CBADLP COC[C@H](O)C[NH+]1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001113634476 811651847 /nfs/dbraw/zinc/65/18/47/811651847.db2.gz FRBJRGZJALTFDA-CYBMUJFWSA-N 2 2 296.371 -0.657 20 0 CBADLP C[C@@H]1CCN(C(=O)c2n[nH]c3c2C[NH2+]CC3)C[C@@H]1[NH3+] ZINC001157821642 815469350 /nfs/dbraw/zinc/46/93/50/815469350.db2.gz UFMQUPRLZNKJBE-SCZZXKLOSA-N 2 2 263.345 -0.135 20 0 CBADLP C[C@@H]1[C@H](C[NH3+])CCCN1C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001157841106 815470420 /nfs/dbraw/zinc/47/04/20/815470420.db2.gz DZPSGWFAWCHUMX-MDZLAQPJSA-N 3 2 279.388 -0.124 20 0 CBADLP COC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@H](C[NH3+])[C@@H]1C ZINC001157844322 815470684 /nfs/dbraw/zinc/47/06/84/815470684.db2.gz WACJGQDRXKWWNE-AEJSXWLSSA-N 2 2 257.334 -0.537 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1[nH]cc[nH+]1 ZINC001114206876 811730955 /nfs/dbraw/zinc/73/09/55/811730955.db2.gz QWTGXZXHBOYXIM-QISWUMQESA-N 2 2 291.355 -0.738 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1[nH]cc[nH+]1 ZINC001114206876 811730966 /nfs/dbraw/zinc/73/09/66/811730966.db2.gz QWTGXZXHBOYXIM-QISWUMQESA-N 2 2 291.355 -0.738 20 0 CBADLP C[C@@H]1[C@@H](C[NH3+])CCCN1C(=O)C1([NH3+])CC[NH2+]CC1 ZINC001157843061 815471044 /nfs/dbraw/zinc/47/10/44/815471044.db2.gz OTCXNMZAUKEZBH-GHMZBOCLSA-N 3 2 254.378 -0.347 20 0 CBADLP C[C@@H]1[C@H](C[NH3+])CCCN1C(=O)C1([NH3+])CC[NH2+]CC1 ZINC001157843062 815471151 /nfs/dbraw/zinc/47/11/51/815471151.db2.gz OTCXNMZAUKEZBH-MNOVXSKESA-N 3 2 254.378 -0.347 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001114608451 811756879 /nfs/dbraw/zinc/75/68/79/811756879.db2.gz WQRTXUHRAKLVHY-YABSGUDNSA-N 2 2 278.356 -0.609 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001114608451 811756883 /nfs/dbraw/zinc/75/68/83/811756883.db2.gz WQRTXUHRAKLVHY-YABSGUDNSA-N 2 2 278.356 -0.609 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1C[C@H](CO)[C@@H](C(F)(F)F)C1 ZINC001157877529 815476469 /nfs/dbraw/zinc/47/64/69/815476469.db2.gz HFCNFXUDMASFIM-XGEHTFHBSA-N 2 2 281.278 -0.838 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2C[C@H](CO)[C@@H](C(F)(F)F)C2)C1 ZINC001157878238 815476482 /nfs/dbraw/zinc/47/64/82/815476482.db2.gz XKADDNZVFDQSLN-HXFLIBJXSA-N 2 2 281.278 -0.695 20 0 CBADLP C[C@@]1(CO)CCCN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)CC1 ZINC001157900783 815478072 /nfs/dbraw/zinc/47/80/72/815478072.db2.gz REZDPIYARJHCAF-RMRHIDDWSA-N 2 2 281.400 -0.053 20 0 CBADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H](CO)CC(F)(F)C1 ZINC001157901311 815479339 /nfs/dbraw/zinc/47/93/39/815479339.db2.gz ZRPFEQPTTVOSNQ-SCZZXKLOSA-N 2 2 288.298 -0.244 20 0 CBADLP C[NH+]1CCN(C(=[NH2+])Nc2cccc(S(N)(=O)=O)n2)CC1 ZINC001157920545 815481565 /nfs/dbraw/zinc/48/15/65/815481565.db2.gz VRRCHVUGMWRUSF-UHFFFAOYSA-N 2 2 298.372 -0.677 20 0 CBADLP C[NH+]1CCN(C(=[NH2+])Nc2ncnc3c2CC[NH2+]CC3)CC1 ZINC001157911149 815482050 /nfs/dbraw/zinc/48/20/50/815482050.db2.gz YWOIIAOPVIHFFY-UHFFFAOYSA-N 3 2 289.387 -0.241 20 0 CBADLP O=C(N1CCC[C@](F)(CO)CC1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001157936201 815488298 /nfs/dbraw/zinc/48/82/98/815488298.db2.gz YQIQQUMUEBVTBQ-BNOWGMLFSA-N 2 2 285.363 -0.349 20 0 CBADLP [NH3+]Cc1nc(=O)[nH]n1-c1nccc(C2CC[NH2+]CC2)n1 ZINC001157934169 815487468 /nfs/dbraw/zinc/48/74/68/815487468.db2.gz QRENUULTHISHFL-UHFFFAOYSA-N 2 2 275.316 -0.311 20 0 CBADLP Cc1nc(CCN(C)C(=O)C2([NH3+])CC[NH2+]CC2)no1 ZINC001157983039 815494771 /nfs/dbraw/zinc/49/47/71/815494771.db2.gz LVDAUXQZNUGEML-UHFFFAOYSA-N 2 2 267.333 -0.540 20 0 CBADLP CN(C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2)[C@H]1CC[C@H](O)CC1 ZINC001157988833 815496198 /nfs/dbraw/zinc/49/61/98/815496198.db2.gz JCEJLSYPFQQMQP-SKENRDBWSA-N 2 2 267.373 -0.030 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC001157998111 815496739 /nfs/dbraw/zinc/49/67/39/815496739.db2.gz DVTRBLNGLGCYOG-DCAQKATOSA-N 2 2 283.372 -0.277 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1[NH2+]CCS1 ZINC001158000142 815496958 /nfs/dbraw/zinc/49/69/58/815496958.db2.gz VQSHKYNTUYCUOH-DTWKUNHWSA-N 2 2 273.358 -0.988 20 0 CBADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@@]1(C)CCC[NH2+]1 ZINC001158000205 815497007 /nfs/dbraw/zinc/49/70/07/815497007.db2.gz WSEPLFKROAEPGJ-ZWNOBZJWSA-N 2 2 269.345 -0.508 20 0 CBADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@@H]1COC(C)(C)C[NH2+]1 ZINC001158007200 815498037 /nfs/dbraw/zinc/49/80/37/815498037.db2.gz REMXILKZILZQFD-WDEREUQCSA-N 2 2 299.371 -0.883 20 0 CBADLP COC(=O)[C@@H]1C[C@H](F)CN1C(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001158014892 815498045 /nfs/dbraw/zinc/49/80/45/815498045.db2.gz OUNIVOXZIAFPKT-KEPMVKOISA-N 2 2 285.319 -0.950 20 0 CBADLP COC(=O)[C@@H]1C[C@H](F)CN1C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001158014876 815498623 /nfs/dbraw/zinc/49/86/23/815498623.db2.gz OKUYKFYPZZNKLH-MFDAYCCISA-N 2 2 285.319 -0.952 20 0 CBADLP Cc1nc(CCN(C)C(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)no1 ZINC001157983573 815494651 /nfs/dbraw/zinc/49/46/51/815494651.db2.gz PNJCSTPCEXZACX-MFKMUULPSA-N 2 2 279.344 -0.670 20 0 CBADLP COC(=O)[C@@H]([NH3+])CC(=O)N1CCC2(CC([NH3+])C2)CC1 ZINC001158082743 815502981 /nfs/dbraw/zinc/50/29/81/815502981.db2.gz QUVQAGHIZKEEHZ-JTQLQIEISA-N 2 2 269.345 -0.393 20 0 CBADLP Cn1ncc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CC[NH+](C)C)n1 ZINC001114774538 812158929 /nfs/dbraw/zinc/15/89/29/812158929.db2.gz QCVBYBUSPPCKMA-IMRBUKKESA-N 2 2 292.387 -0.687 20 0 CBADLP Cn1ncc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CC[NH+](C)C)n1 ZINC001114774538 812158935 /nfs/dbraw/zinc/15/89/35/812158935.db2.gz QCVBYBUSPPCKMA-IMRBUKKESA-N 2 2 292.387 -0.687 20 0 CBADLP Cc1noc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CC[NH+](C)C)n1 ZINC001114774987 812159043 /nfs/dbraw/zinc/15/90/43/812159043.db2.gz XWBZYIZFSOFALI-YABSGUDNSA-N 2 2 293.371 -0.124 20 0 CBADLP Cc1noc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CC[NH+](C)C)n1 ZINC001114774987 812159049 /nfs/dbraw/zinc/15/90/49/812159049.db2.gz XWBZYIZFSOFALI-YABSGUDNSA-N 2 2 293.371 -0.124 20 0 CBADLP COC[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH]c[nH+]1 ZINC001114885869 812166150 /nfs/dbraw/zinc/16/61/50/812166150.db2.gz RLHGEHNLGWXPFU-NMKXLXIOSA-N 2 2 294.355 -0.994 20 0 CBADLP COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH]c[nH+]1 ZINC001114885869 812166154 /nfs/dbraw/zinc/16/61/54/812166154.db2.gz RLHGEHNLGWXPFU-NMKXLXIOSA-N 2 2 294.355 -0.994 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1[C@H]2C[N@H+](CCF)C[C@H]21 ZINC001115245847 812186910 /nfs/dbraw/zinc/18/69/10/812186910.db2.gz ZPHQYCSNWGNAGC-IGQOVBAYSA-N 2 2 299.390 -0.029 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCF)C[C@H]21 ZINC001115245847 812186914 /nfs/dbraw/zinc/18/69/14/812186914.db2.gz ZPHQYCSNWGNAGC-IGQOVBAYSA-N 2 2 299.390 -0.029 20 0 CBADLP COc1cc(OC)nc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001158203517 815512852 /nfs/dbraw/zinc/51/28/52/815512852.db2.gz BXDNDEFUSUKUCB-MRVPVSSYSA-N 2 2 279.300 -0.458 20 0 CBADLP Cc1noc2ncnc(-n3c[nH+]cc3C[C@@H]([NH3+])CO)c12 ZINC001158208973 815513654 /nfs/dbraw/zinc/51/36/54/815513654.db2.gz BRXZYCUINVOCCQ-MRVPVSSYSA-N 2 2 274.284 -0.026 20 0 CBADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cc(C2C[NH2+]C2)ncn1 ZINC001158209160 815513714 /nfs/dbraw/zinc/51/37/14/815513714.db2.gz ITFNVHWAIONAHP-SNVBAGLBSA-N 3 2 274.328 -0.789 20 0 CBADLP NC(=O)C[NH2+]C1(CNC(=O)Cc2c[nH]c[nH+]2)CCCCC1 ZINC001115750269 812202038 /nfs/dbraw/zinc/20/20/38/812202038.db2.gz PDIABQZJZPFQDP-UHFFFAOYSA-N 2 2 293.371 -0.154 20 0 CBADLP CCNC(=O)c1ccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nc1 ZINC001158206662 815513938 /nfs/dbraw/zinc/51/39/38/815513938.db2.gz XAKYIPYAHCCRLL-LLVKDONJSA-N 2 2 289.339 -0.121 20 0 CBADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccc(Cn2cncn2)cn1 ZINC001158209519 815514027 /nfs/dbraw/zinc/51/40/27/815514027.db2.gz WMROCVZKKTZSFW-GFCCVEGCSA-N 2 2 299.338 -0.231 20 0 CBADLP NC(=O)c1cc(F)cnc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001158206467 815514202 /nfs/dbraw/zinc/51/42/02/815514202.db2.gz QEFGROWKTSQLRJ-MRVPVSSYSA-N 2 2 279.275 -0.633 20 0 CBADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CC2(C1)CCCO2 ZINC001158235443 815515443 /nfs/dbraw/zinc/51/54/43/815515443.db2.gz KJMHJGRPWSIAKZ-GARJFASQSA-N 2 2 251.330 -0.672 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1C[C@@H]2OCC(F)(F)[C@@H]2C1 ZINC001158321022 815520184 /nfs/dbraw/zinc/52/01/84/815520184.db2.gz XXOQUDGBTKGDDR-KZVJFYERSA-N 2 2 261.272 -0.974 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2C[C@@H]3OCC(F)(F)[C@@H]3C2)C1 ZINC001158320663 815520761 /nfs/dbraw/zinc/52/07/61/815520761.db2.gz WQDDZCDTYYKPLW-HXFLIBJXSA-N 2 2 261.272 -0.832 20 0 CBADLP [NH3+]C1(C(=O)N2CC[C@@H]3CCO[C@H]3C2)CC[NH2+]CC1 ZINC001158338552 815521587 /nfs/dbraw/zinc/52/15/87/815521587.db2.gz CLNXNVYELXBHFI-MNOVXSKESA-N 2 2 253.346 -0.295 20 0 CBADLP C[NH+]1CCN(CCCCNC(=O)C[C@@H]2COCC[NH2+]2)CC1 ZINC001118190697 812488862 /nfs/dbraw/zinc/48/88/62/812488862.db2.gz XEJJKKPOONVCRT-CQSZACIVSA-N 2 2 298.431 -0.491 20 0 CBADLP CC[C@@H]1C[N@H+](CC(=O)N2CC[NH2+]CC2)CC[C@@H]1[NH3+] ZINC001118264232 812512067 /nfs/dbraw/zinc/51/20/67/812512067.db2.gz ZCCSJNMVHUGWAC-NEPJUHHUSA-N 3 2 254.378 -0.523 20 0 CBADLP CC[C@@H]1C[N@@H+](CC(=O)N2CC[NH2+]CC2)CC[C@@H]1[NH3+] ZINC001118264232 812512072 /nfs/dbraw/zinc/51/20/72/812512072.db2.gz ZCCSJNMVHUGWAC-NEPJUHHUSA-N 3 2 254.378 -0.523 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC001118313727 812525968 /nfs/dbraw/zinc/52/59/68/812525968.db2.gz IXQBKEFWSITYEK-ZWNOBZJWSA-N 2 2 266.345 -0.229 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC001118313727 812525976 /nfs/dbraw/zinc/52/59/76/812525976.db2.gz IXQBKEFWSITYEK-ZWNOBZJWSA-N 2 2 266.345 -0.229 20 0 CBADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC001118313727 812525980 /nfs/dbraw/zinc/52/59/80/812525980.db2.gz IXQBKEFWSITYEK-ZWNOBZJWSA-N 2 2 266.345 -0.229 20 0 CBADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC001118313727 812525985 /nfs/dbraw/zinc/52/59/85/812525985.db2.gz IXQBKEFWSITYEK-ZWNOBZJWSA-N 2 2 266.345 -0.229 20 0 CBADLP O=C(NCC1C[NH2+]C1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC001118483156 812553532 /nfs/dbraw/zinc/55/35/32/812553532.db2.gz VDJOGDMPTUKQII-LBPRGKRZSA-N 2 2 268.361 -0.678 20 0 CBADLP CCOC(=O)[C@]12C[C@H]1CCN2C(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001158523505 815536644 /nfs/dbraw/zinc/53/66/44/815536644.db2.gz IHEAPISTDOWBQJ-UDZFHETQSA-N 2 2 292.339 -0.166 20 0 CBADLP NC(=O)C[N@@H+]1CCC[C@H](NC(=O)C[C@H]2CC[NH2+]C2)C1 ZINC001118507353 812563958 /nfs/dbraw/zinc/56/39/58/812563958.db2.gz XFEDNUSUUHWAAS-MNOVXSKESA-N 2 2 268.361 -0.948 20 0 CBADLP NC(=O)C[N@H+]1CCC[C@H](NC(=O)C[C@H]2CC[NH2+]C2)C1 ZINC001118507353 812563964 /nfs/dbraw/zinc/56/39/64/812563964.db2.gz XFEDNUSUUHWAAS-MNOVXSKESA-N 2 2 268.361 -0.948 20 0 CBADLP [NH3+]C1(C(=O)N2CC[C@@]34C[NH2+]C[C@@H](C[C@H]3C2)O4)CC[NH2+]CC1 ZINC001158533586 815537290 /nfs/dbraw/zinc/53/72/90/815537290.db2.gz ODSDIYPYRNPVQO-YWPYICTPSA-N 3 2 294.399 -0.953 20 0 CBADLP [NH3+]C1(C(=O)N2CC[C@@]34C[NH2+]C[C@@H](C[C@@H]3C2)O4)CC[NH2+]CC1 ZINC001158533585 815537453 /nfs/dbraw/zinc/53/74/53/815537453.db2.gz ODSDIYPYRNPVQO-LALPHHSUSA-N 3 2 294.399 -0.953 20 0 CBADLP NC(=O)C1([NH2+]CCCn2cc[nH+]c2)CCOCC1 ZINC001118564463 812577778 /nfs/dbraw/zinc/57/77/78/812577778.db2.gz UNBZDYQYCBXVSA-UHFFFAOYSA-N 2 2 252.318 -0.103 20 0 CBADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001158567168 815538606 /nfs/dbraw/zinc/53/86/06/815538606.db2.gz FKTJUIFUYOTHIC-WCQGTBRESA-N 3 2 295.362 -0.185 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2C[C@H](CF)[C@@H](C3([NH3+])CC3)C2)C1 ZINC001158576610 815539132 /nfs/dbraw/zinc/53/91/32/815539132.db2.gz CCPJKOXRIMNRTF-VLEAKVRGSA-N 3 2 270.352 -0.789 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2C[C@@H](CF)[C@H](C3([NH3+])CC3)C2)C1 ZINC001158576606 815539486 /nfs/dbraw/zinc/53/94/86/815539486.db2.gz CCPJKOXRIMNRTF-DBIOUOCHSA-N 3 2 270.352 -0.789 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@@H]([NH3+])COC(C)(C)C)CC1 ZINC001158604489 815540388 /nfs/dbraw/zinc/54/03/88/815540388.db2.gz OGRIJOFSXASWLE-LBPRGKRZSA-N 2 2 287.404 -0.081 20 0 CBADLP COC(=O)[C@@H]([NH3+])CCC(=O)N1C[C@H](C)[N@H+](C)C[C@H]1C ZINC001158626575 815540898 /nfs/dbraw/zinc/54/08/98/815540898.db2.gz UEHUCPUOMJACBT-AXFHLTTASA-N 2 2 271.361 -0.182 20 0 CBADLP COC(=O)[C@@H]([NH3+])CCC(=O)N1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC001158626575 815540900 /nfs/dbraw/zinc/54/09/00/815540900.db2.gz UEHUCPUOMJACBT-AXFHLTTASA-N 2 2 271.361 -0.182 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC001118777142 812625769 /nfs/dbraw/zinc/62/57/69/812625769.db2.gz YQTNFFRZKJLOIS-GFCCVEGCSA-N 2 2 254.334 -0.609 20 0 CBADLP CN(CCOCC[NH3+])C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001118790359 812629746 /nfs/dbraw/zinc/62/97/46/812629746.db2.gz XBWUMYDCXSQIDK-NSHDSACASA-N 2 2 266.345 -0.121 20 0 CBADLP C[C@@H](c1nc(C2([NH3+])CCC2)no1)N1CC[NH2+]CC1=O ZINC001119063252 812703722 /nfs/dbraw/zinc/70/37/22/812703722.db2.gz WRNIWASTPNJGHK-QMMMGPOBSA-N 2 2 265.317 -0.100 20 0 CBADLP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001119236779 812727632 /nfs/dbraw/zinc/72/76/32/812727632.db2.gz CQDVQQYAJSWFFB-CPCNUCRYSA-N 2 2 294.399 -0.536 20 0 CBADLP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001119236779 812727637 /nfs/dbraw/zinc/72/76/37/812727637.db2.gz CQDVQQYAJSWFFB-CPCNUCRYSA-N 2 2 294.399 -0.536 20 0 CBADLP CN(C[C@H](O)CO)C(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001158805136 815549406 /nfs/dbraw/zinc/54/94/06/815549406.db2.gz ZJXRRQQHRACYRT-NWDGAFQWSA-N 2 2 267.329 -0.930 20 0 CBADLP Cn1c[nH+]cc1CC[NH+]1CCC(OCC(N)=O)CC1 ZINC001119305485 812750332 /nfs/dbraw/zinc/75/03/32/812750332.db2.gz ATBQKLSZDCGTOB-UHFFFAOYSA-N 2 2 266.345 -0.071 20 0 CBADLP Cn1c[nH+]cc1CC[NH+]1CCC(O)(C(N)=O)CC1 ZINC001119307878 812750526 /nfs/dbraw/zinc/75/05/26/812750526.db2.gz FDTIHSGOAAWBST-UHFFFAOYSA-N 2 2 252.318 -0.725 20 0 CBADLP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC001119417363 812778082 /nfs/dbraw/zinc/77/80/82/812778082.db2.gz OXDHNYABFAYRCC-VWYCJHECSA-N 2 2 291.355 -0.738 20 0 CBADLP Cn1c[nH+]cc1CNC(=O)NC[C@H]1COCC[NH2+]1 ZINC001119439410 812785910 /nfs/dbraw/zinc/78/59/10/812785910.db2.gz RLSNXOQAISYMDJ-VIFPVBQESA-N 2 2 253.306 -0.792 20 0 CBADLP COC[C@H]1CN(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)Cc2cn(C)nc21 ZINC001159017894 815555216 /nfs/dbraw/zinc/55/52/16/815555216.db2.gz IKTJLPSUOZCZJV-UTUOFQBUSA-N 2 2 293.371 -0.819 20 0 CBADLP CO[C@]1(C[NH2+][C@H]2CCC[C@H]2[NH3+])CCS(=O)(=O)C1 ZINC001119700874 812872699 /nfs/dbraw/zinc/87/26/99/812872699.db2.gz KIQZWJDUHINURU-VWYCJHECSA-N 2 2 262.375 -0.341 20 0 CBADLP O[C@H](C[NH2+]CCCn1cc[nH+]c1)C1(O)CCOCC1 ZINC001120249834 812942055 /nfs/dbraw/zinc/94/20/55/812942055.db2.gz POOJJCOWEAVCFZ-GFCCVEGCSA-N 2 2 269.345 -0.235 20 0 CBADLP Cn1nccc1[C@@H](O)C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC001120277604 812946222 /nfs/dbraw/zinc/94/62/22/812946222.db2.gz KNXNSMJSFAVLTJ-YPMHNXCESA-N 2 2 268.361 -0.502 20 0 CBADLP Cn1nccc1[C@@H](O)C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC001120277604 812946231 /nfs/dbraw/zinc/94/62/31/812946231.db2.gz KNXNSMJSFAVLTJ-YPMHNXCESA-N 2 2 268.361 -0.502 20 0 CBADLP C[NH+]1CCN(c2cccc(N3C[C@H](O)C[C@@H]3CO)[nH+]2)CC1 ZINC001159250437 815565344 /nfs/dbraw/zinc/56/53/44/815565344.db2.gz FKDKVYMPZKZULY-CHWSQXEVSA-N 2 2 292.383 -0.235 20 0 CBADLP CC[NH+]1CCN(CC[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC001120480980 812972299 /nfs/dbraw/zinc/97/22/99/812972299.db2.gz JREMMLNMRUTPFW-OAHLLOKOSA-N 3 2 284.448 -0.331 20 0 CBADLP CC[NH+]1CCN(CC[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC001120480980 812972305 /nfs/dbraw/zinc/97/23/05/812972305.db2.gz JREMMLNMRUTPFW-OAHLLOKOSA-N 3 2 284.448 -0.331 20 0 CBADLP CC[NH+]1CCN(CCNC[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC001120480980 812972307 /nfs/dbraw/zinc/97/23/07/812972307.db2.gz JREMMLNMRUTPFW-OAHLLOKOSA-N 2 2 284.448 -0.331 20 0 CBADLP CC[NH+]1CCN(CCNC[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC001120480980 812972313 /nfs/dbraw/zinc/97/23/13/812972313.db2.gz JREMMLNMRUTPFW-OAHLLOKOSA-N 2 2 284.448 -0.331 20 0 CBADLP CN(C(=O)NCC[NH+]1CCC([NH3+])CC1)C1CC([NH3+])C1 ZINC001120559999 812991640 /nfs/dbraw/zinc/99/16/40/812991640.db2.gz BFHOWOPKOJGCTN-UHFFFAOYSA-N 3 2 269.393 -0.459 20 0 CBADLP CCN(CCO)C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001120647731 813006181 /nfs/dbraw/zinc/00/61/81/813006181.db2.gz CSOKBVVAQWOSHN-UHFFFAOYSA-N 2 2 258.366 -0.567 20 0 CBADLP CN1CC[N@H+](C)C[C@H]1CNc1nccnc1C[NH3+] ZINC001120895448 813026479 /nfs/dbraw/zinc/02/64/79/813026479.db2.gz BHRYOUGYODHDBO-SNVBAGLBSA-N 2 2 250.350 -0.407 20 0 CBADLP CN1CC[N@@H+](C)C[C@H]1CNc1nccnc1C[NH3+] ZINC001120895448 813026489 /nfs/dbraw/zinc/02/64/89/813026489.db2.gz BHRYOUGYODHDBO-SNVBAGLBSA-N 2 2 250.350 -0.407 20 0 CBADLP Cc1nc(N[C@H](CO)CNC(=O)[C@H]2CC[N@@H+](C)C2)cc[nH+]1 ZINC001121589491 813071476 /nfs/dbraw/zinc/07/14/76/813071476.db2.gz GERIAPMSOOTMOZ-RYUDHWBXSA-N 2 2 293.371 -0.374 20 0 CBADLP Cc1nc(N[C@H](CO)CNC(=O)[C@H]2CC[N@H+](C)C2)cc[nH+]1 ZINC001121589491 813071488 /nfs/dbraw/zinc/07/14/88/813071488.db2.gz GERIAPMSOOTMOZ-RYUDHWBXSA-N 2 2 293.371 -0.374 20 0 CBADLP COC(=O)CC[C@@H]([NH3+])C(=O)NCCn1cc[nH+]c1 ZINC001121900481 813086917 /nfs/dbraw/zinc/08/69/17/813086917.db2.gz HGMMTGFLUYTGOQ-SECBINFHSA-N 2 2 254.290 -0.720 20 0 CBADLP O=C(N1CC[NH+](CCO)CC1)[C@]12C[C@H]1CCC[NH2+]2 ZINC001121938222 813092957 /nfs/dbraw/zinc/09/29/57/813092957.db2.gz VKMSQUCIPQGAFT-YPMHNXCESA-N 2 2 253.346 -0.735 20 0 CBADLP CN(CCCn1cc[nH+]c1)C(=O)[C@@]1(C)C[C@@H](O)C[NH2+]1 ZINC001121970566 813098072 /nfs/dbraw/zinc/09/80/72/813098072.db2.gz XXHNJKYIWJIRFF-DGCLKSJQSA-N 2 2 266.345 -0.156 20 0 CBADLP [NH3+]Cc1nc(C(=O)N2CC[NH2+]C[C@H]2CO)cs1 ZINC001122124907 813120336 /nfs/dbraw/zinc/12/03/36/813120336.db2.gz SFYZGXDRIAVKIH-ZETCQYMHSA-N 2 2 256.331 -0.992 20 0 CBADLP C[NH2+]CCCN(C)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001121992016 813100941 /nfs/dbraw/zinc/10/09/41/813100941.db2.gz HJPGMGOABHZGTD-KGLIPLIRSA-N 2 2 299.415 -0.066 20 0 CBADLP C[NH2+]C1(C(=O)N2CC[NH+](CCOC)CC2)CCC1 ZINC001121983349 813101168 /nfs/dbraw/zinc/10/11/68/813101168.db2.gz XIXSZTKJDDVSLA-UHFFFAOYSA-N 2 2 255.362 -0.081 20 0 CBADLP C[C@H](NC(=O)[C@@H]1C[C@@H]1C[NH3+])[C@H](C)[NH+]1CCOCC1 ZINC001121997725 813102471 /nfs/dbraw/zinc/10/24/71/813102471.db2.gz GZZDXIDHAFZWAS-NNYUYHANSA-N 2 2 255.362 -0.193 20 0 CBADLP Cc1[nH+]c[nH]c1CNC(=O)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001122005492 813104103 /nfs/dbraw/zinc/10/41/03/813104103.db2.gz LLDONKNZLPBQDJ-MFKMUULPSA-N 2 2 264.329 -0.040 20 0 CBADLP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)N(C)CCCn1cc[nH+]c1 ZINC001122046388 813109368 /nfs/dbraw/zinc/10/93/68/813109368.db2.gz MKDRPSPWGTUMCY-VXGBXAGGSA-N 2 2 268.361 -0.052 20 0 CBADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1COC2(C[NH2+]C2)C1 ZINC001122063916 813111684 /nfs/dbraw/zinc/11/16/84/813111684.db2.gz QLLDOIZPDZLVDD-ONGXEEELSA-N 2 2 264.329 -0.165 20 0 CBADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1COC2(C[NH2+]C2)C1 ZINC001122063916 813111687 /nfs/dbraw/zinc/11/16/87/813111687.db2.gz QLLDOIZPDZLVDD-ONGXEEELSA-N 2 2 264.329 -0.165 20 0 CBADLP O=C(N[C@@H]1COC2(C[NH2+]C2)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001122142913 813123580 /nfs/dbraw/zinc/12/35/80/813123580.db2.gz BZTNACIHLAKVIP-IVZWLZJFSA-N 2 2 262.313 -0.240 20 0 CBADLP O=C(N[C@@H]1COC2(C[NH2+]C2)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001122142913 813123584 /nfs/dbraw/zinc/12/35/84/813123584.db2.gz BZTNACIHLAKVIP-IVZWLZJFSA-N 2 2 262.313 -0.240 20 0 CBADLP CC(C)C[C@@H](C(=O)N[C@@H]1C[NH2+]C[C@@H]1O)n1cc[nH+]c1 ZINC001122155758 813124799 /nfs/dbraw/zinc/12/47/99/813124799.db2.gz CEDKUPUCKLQGQX-WOPDTQHZSA-N 2 2 266.345 -0.081 20 0 CBADLP CC(C)C[C@H](C(=O)N[C@@H]1C[NH2+]C[C@@H]1O)n1cc[nH+]c1 ZINC001122155757 813125157 /nfs/dbraw/zinc/12/51/57/813125157.db2.gz CEDKUPUCKLQGQX-UTUOFQBUSA-N 2 2 266.345 -0.081 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC001122206349 813133657 /nfs/dbraw/zinc/13/36/57/813133657.db2.gz YYXCZYBSXOAXRR-LBPRGKRZSA-N 2 2 252.318 -0.427 20 0 CBADLP C[NH2+]C1(C(=O)NCC[NH+]2CCC([NH3+])CC2)CCC1 ZINC001122240283 813136997 /nfs/dbraw/zinc/13/69/97/813136997.db2.gz UMOPPJVDFFHDPT-UHFFFAOYSA-N 3 2 254.378 -0.332 20 0 CBADLP CN1C(=O)CC[C@H]1C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001122240297 813137690 /nfs/dbraw/zinc/13/76/90/813137690.db2.gz UXIWKPBKLMUJLI-NSHDSACASA-N 2 2 268.361 -0.854 20 0 CBADLP COC[C@@H](O)C[NH2+]CCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001159537204 815579680 /nfs/dbraw/zinc/57/96/80/815579680.db2.gz PANJHLKURQXIHK-LBPRGKRZSA-N 2 2 284.360 -0.555 20 0 CBADLP COC[C@@H](O)C[NH2+]CCCNC(=O)CCc1c[nH+]c[nH]1 ZINC001159537204 815579683 /nfs/dbraw/zinc/57/96/83/815579683.db2.gz PANJHLKURQXIHK-LBPRGKRZSA-N 2 2 284.360 -0.555 20 0 CBADLP COCC[C@H]1C[NH2+]CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001122314205 813144057 /nfs/dbraw/zinc/14/40/57/813144057.db2.gz WDCGMXJYYAUZIO-JTQLQIEISA-N 2 2 252.318 -0.211 20 0 CBADLP Cn1nncc1C[NH2+]CCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001159536876 815579921 /nfs/dbraw/zinc/57/99/21/815579921.db2.gz BFZAACSIDQIMGQ-UHFFFAOYSA-N 2 2 291.359 -0.233 20 0 CBADLP Cn1nncc1C[NH2+]CCCNC(=O)CCc1c[nH+]c[nH]1 ZINC001159536876 815579924 /nfs/dbraw/zinc/57/99/24/815579924.db2.gz BFZAACSIDQIMGQ-UHFFFAOYSA-N 2 2 291.359 -0.233 20 0 CBADLP CNC(=O)C[NH2+]CCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001159527044 815579944 /nfs/dbraw/zinc/57/99/44/815579944.db2.gz HFXKURJPUGVYMN-UHFFFAOYSA-N 2 2 267.333 -0.816 20 0 CBADLP CNC(=O)C[NH2+]CCCNC(=O)CCc1c[nH+]c[nH]1 ZINC001159527044 815579945 /nfs/dbraw/zinc/57/99/45/815579945.db2.gz HFXKURJPUGVYMN-UHFFFAOYSA-N 2 2 267.333 -0.816 20 0 CBADLP O=C(/C=C\C[NH+]1CCOCC1)N[C@H]1C[NH2+]CC12CC2 ZINC001122498074 813170276 /nfs/dbraw/zinc/17/02/76/813170276.db2.gz JSCPEABALBWSJP-BIOMNHJASA-N 2 2 265.357 -0.257 20 0 CBADLP Cc1nc(N[C@@H](CO)CNC(=O)CC[NH+](C)C)cc[nH+]1 ZINC001122535259 813174186 /nfs/dbraw/zinc/17/41/86/813174186.db2.gz RKQNJLDYJQYIOF-LLVKDONJSA-N 2 2 281.360 -0.374 20 0 CBADLP [NH3+]CCC[C@H]([NH3+])Nc1cc[nH+]c(N2CCOCC2)n1 ZINC001159786975 815596649 /nfs/dbraw/zinc/59/66/49/815596649.db2.gz OXPUHXFALPPVIX-SNVBAGLBSA-N 3 2 266.349 -0.251 20 0 CBADLP CN(C)C(=O)[C@@H]1CC12CCN(C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)CC2 ZINC001159862931 815601742 /nfs/dbraw/zinc/60/17/42/815601742.db2.gz IAONCHGFHIYIJC-WOPDTQHZSA-N 2 2 294.399 -0.608 20 0 CBADLP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCCCn1cc[nH+]c1 ZINC001123476853 813241648 /nfs/dbraw/zinc/24/16/48/813241648.db2.gz RHTQNFPZQWUCTR-OLZOCXBDSA-N 2 2 277.372 -0.222 20 0 CBADLP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCCCn1cc[nH+]c1 ZINC001123476853 813241653 /nfs/dbraw/zinc/24/16/53/813241653.db2.gz RHTQNFPZQWUCTR-OLZOCXBDSA-N 2 2 277.372 -0.222 20 0 CBADLP CC(C)n1nnnc1C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001124838246 813486471 /nfs/dbraw/zinc/48/64/71/813486471.db2.gz UNPANAVZSIHAFM-NSHDSACASA-N 2 2 295.391 -0.446 20 0 CBADLP CC(C)n1nnnc1C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001124838246 813486474 /nfs/dbraw/zinc/48/64/74/813486474.db2.gz UNPANAVZSIHAFM-NSHDSACASA-N 2 2 295.391 -0.446 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1ccon1 ZINC001124866904 813488901 /nfs/dbraw/zinc/48/89/01/813488901.db2.gz NMCLPWUJFAMJFF-LLVKDONJSA-N 2 2 252.318 -0.025 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1ccon1 ZINC001124866904 813488906 /nfs/dbraw/zinc/48/89/06/813488906.db2.gz NMCLPWUJFAMJFF-LLVKDONJSA-N 2 2 252.318 -0.025 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1csnn1 ZINC001124872417 813492535 /nfs/dbraw/zinc/49/25/35/813492535.db2.gz FPJLJXXWQFGIMA-JTQLQIEISA-N 2 2 269.374 -0.162 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1csnn1 ZINC001124872417 813492537 /nfs/dbraw/zinc/49/25/37/813492537.db2.gz FPJLJXXWQFGIMA-JTQLQIEISA-N 2 2 269.374 -0.162 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1nncs1 ZINC001124877956 813493915 /nfs/dbraw/zinc/49/39/15/813493915.db2.gz IXMGRHLIFBXXSU-SECBINFHSA-N 2 2 269.374 -0.162 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1nncs1 ZINC001124877956 813493921 /nfs/dbraw/zinc/49/39/21/813493921.db2.gz IXMGRHLIFBXXSU-SECBINFHSA-N 2 2 269.374 -0.162 20 0 CBADLP CCCn1nnnc1C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001124877281 813494714 /nfs/dbraw/zinc/49/47/14/813494714.db2.gz FCOHQQWEROLTES-NSHDSACASA-N 2 2 295.391 -0.617 20 0 CBADLP CCCn1nnnc1C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001124877281 813494719 /nfs/dbraw/zinc/49/47/19/813494719.db2.gz FCOHQQWEROLTES-NSHDSACASA-N 2 2 295.391 -0.617 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1cnon1 ZINC001124877973 813495159 /nfs/dbraw/zinc/49/51/59/813495159.db2.gz JNKFPBGPLKCITF-SNVBAGLBSA-N 2 2 253.306 -0.630 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1cnon1 ZINC001124877973 813495163 /nfs/dbraw/zinc/49/51/63/813495163.db2.gz JNKFPBGPLKCITF-SNVBAGLBSA-N 2 2 253.306 -0.630 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2ccc(F)cn2)C1 ZINC001125213086 813533206 /nfs/dbraw/zinc/53/32/06/813533206.db2.gz AWNGMLAGPIRESO-ZDUSSCGKSA-N 2 2 296.346 -0.243 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2ccc(F)cn2)C1 ZINC001125213086 813533212 /nfs/dbraw/zinc/53/32/12/813533212.db2.gz AWNGMLAGPIRESO-ZDUSSCGKSA-N 2 2 296.346 -0.243 20 0 CBADLP Cc1ncoc1C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125222875 813536336 /nfs/dbraw/zinc/53/63/36/813536336.db2.gz XVPCKQGKVGKHKN-GFCCVEGCSA-N 2 2 282.344 -0.481 20 0 CBADLP Cc1ncoc1C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125222875 813536344 /nfs/dbraw/zinc/53/63/44/813536344.db2.gz XVPCKQGKVGKHKN-GFCCVEGCSA-N 2 2 282.344 -0.481 20 0 CBADLP CC[C@H](C)NC(=O)C[NH2+]CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001126437002 813647568 /nfs/dbraw/zinc/64/75/68/813647568.db2.gz QVPFTPXIJGRTTG-NSHDSACASA-N 2 2 295.387 -0.037 20 0 CBADLP CCN1CC[C@@H]([NH2+]CCNC(=O)CCc2[nH]cc[nH+]2)C1=O ZINC001126442188 813647852 /nfs/dbraw/zinc/64/78/52/813647852.db2.gz IZBSQSFWJLQCGJ-LLVKDONJSA-N 2 2 293.371 -0.331 20 0 CBADLP Cn1nccc1C[NH2+]CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001126437191 813647977 /nfs/dbraw/zinc/64/79/77/813647977.db2.gz VJIXHWGTAZMRAS-UHFFFAOYSA-N 2 2 276.344 -0.018 20 0 CBADLP CC[C@H]([NH2+]CCNC(=O)CCc1[nH]cc[nH+]1)C(N)=O ZINC001126447932 813650484 /nfs/dbraw/zinc/65/04/84/813650484.db2.gz MENJTYNDBOSOFU-VIFPVBQESA-N 2 2 267.333 -0.688 20 0 CBADLP Cc1c[nH+]c2cc(C(=O)NCC[NH2+][C@H](C)C(N)=O)ccn12 ZINC001127293522 813721582 /nfs/dbraw/zinc/72/15/82/813721582.db2.gz VUTAECSFEHAJLC-SNVBAGLBSA-N 2 2 289.339 -0.164 20 0 CBADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NCC[NH2+]CCO ZINC001127547357 813735392 /nfs/dbraw/zinc/73/53/92/813735392.db2.gz JIZAJYIOPSVIME-CHWSQXEVSA-N 2 2 292.383 -0.148 20 0 CBADLP C[C@@H]1[C@H](C(=O)NCC[NH2+]Cc2cnon2)CC[N@@H+]1C ZINC001127638187 813738999 /nfs/dbraw/zinc/73/89/99/813738999.db2.gz GHCYZGJWMPPRDQ-MWLCHTKSSA-N 2 2 267.333 -0.384 20 0 CBADLP C[C@@H]1[C@H](C(=O)NCC[NH2+]Cc2cnon2)CC[N@H+]1C ZINC001127638187 813739006 /nfs/dbraw/zinc/73/90/06/813739006.db2.gz GHCYZGJWMPPRDQ-MWLCHTKSSA-N 2 2 267.333 -0.384 20 0 CBADLP Cc1nnc(C[NH2+]CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)o1 ZINC001127690706 813742330 /nfs/dbraw/zinc/74/23/30/813742330.db2.gz RLBSGFQSTIOQAR-MWLCHTKSSA-N 2 2 281.360 -0.076 20 0 CBADLP Cc1nnc(C[NH2+]CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)o1 ZINC001127690706 813742334 /nfs/dbraw/zinc/74/23/34/813742334.db2.gz RLBSGFQSTIOQAR-MWLCHTKSSA-N 2 2 281.360 -0.076 20 0 CBADLP O=C(NCC[NH2+]Cc1cnon1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127784815 813748693 /nfs/dbraw/zinc/74/86/93/813748693.db2.gz BNZZXGCUBRFNCY-NEPJUHHUSA-N 2 2 295.343 -0.861 20 0 CBADLP O=C(NCC[NH2+]Cc1cnon1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127784815 813748698 /nfs/dbraw/zinc/74/86/98/813748698.db2.gz BNZZXGCUBRFNCY-NEPJUHHUSA-N 2 2 295.343 -0.861 20 0 CBADLP CNC(=O)C[NH2+]CCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001127785781 813749288 /nfs/dbraw/zinc/74/92/88/813749288.db2.gz QGKQCSQCHJWCSM-UHFFFAOYSA-N 2 2 293.371 -0.786 20 0 CBADLP COC[C@H](O)C[NH2+]CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001128967528 813810930 /nfs/dbraw/zinc/81/09/30/813810930.db2.gz UZDWELLUIDOZBJ-LLVKDONJSA-N 2 2 270.333 -0.945 20 0 CBADLP COC[C@H](O)C[NH2+]CCNC(=O)CCc1c[nH+]c[nH]1 ZINC001128967528 813810940 /nfs/dbraw/zinc/81/09/40/813810940.db2.gz UZDWELLUIDOZBJ-LLVKDONJSA-N 2 2 270.333 -0.945 20 0 CBADLP CN(C)C(=O)C[NH2+]CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001128967337 813811712 /nfs/dbraw/zinc/81/17/12/813811712.db2.gz MQSOLAAPWMYPTL-UHFFFAOYSA-N 2 2 267.333 -0.864 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)NCC[NH2+]CC(=O)NC1CC1 ZINC001128991875 813814808 /nfs/dbraw/zinc/81/48/08/813814808.db2.gz GDDANQJHKBDXJA-UHFFFAOYSA-N 2 2 279.344 -0.673 20 0 CBADLP C[NH+](C)C1(C(=O)NCC[NH2+]CCS(C)(=O)=O)CCC1 ZINC001129351794 813837196 /nfs/dbraw/zinc/83/71/96/813837196.db2.gz PDTULMOTZPKFHC-UHFFFAOYSA-N 2 2 291.417 -0.779 20 0 CBADLP Cc1nonc1C[NH2+]CCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001129435663 813843767 /nfs/dbraw/zinc/84/37/67/813843767.db2.gz ILILXYQBGCOTDD-LBPRGKRZSA-N 2 2 281.360 -0.076 20 0 CBADLP CC[C@@H]([NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(N)=O ZINC001129892985 813874932 /nfs/dbraw/zinc/87/49/32/813874932.db2.gz GRXBDVQENRRFII-OPRDCNLKSA-N 2 2 279.344 -0.517 20 0 CBADLP O=C(NCC[NH2+]CCn1cncn1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001129893461 813875587 /nfs/dbraw/zinc/87/55/87/813875587.db2.gz RLCVOWQJBOOAND-GHMZBOCLSA-N 2 2 289.343 -0.489 20 0 CBADLP O=C(NCC[NH2+]CCn1cncn1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001129893461 813875597 /nfs/dbraw/zinc/87/55/97/813875597.db2.gz RLCVOWQJBOOAND-GHMZBOCLSA-N 2 2 289.343 -0.489 20 0 CBADLP CNC(=O)C[NH2+]CCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001130163248 813911647 /nfs/dbraw/zinc/91/16/47/813911647.db2.gz QRZSXVNFHGVZEB-UHFFFAOYSA-N 2 2 281.360 -0.622 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001130165040 813913314 /nfs/dbraw/zinc/91/33/14/813913314.db2.gz JQMDDMGSRKCTMT-LLVKDONJSA-N 2 2 295.387 -0.233 20 0 CBADLP COC[C@@H](O)C[NH2+]CCNC(=O)Cc1c[nH+]ccc1OC ZINC001130173279 813913464 /nfs/dbraw/zinc/91/34/64/813913464.db2.gz FQAAFYDZBDXNNB-LBPRGKRZSA-N 2 2 297.355 -0.654 20 0 CBADLP COc1cc[nH+]cc1CC(=O)NCC[NH2+]C[C@@H](C)O ZINC001130176139 813914337 /nfs/dbraw/zinc/91/43/37/813914337.db2.gz DATXIMWHNGTQCU-SNVBAGLBSA-N 2 2 267.329 -0.281 20 0 CBADLP C[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1cnon1 ZINC001130300179 813924213 /nfs/dbraw/zinc/92/42/13/813924213.db2.gz KBDHUHHVIZXGTQ-LLVKDONJSA-N 2 2 267.333 -0.240 20 0 CBADLP C[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1cnon1 ZINC001130300179 813924219 /nfs/dbraw/zinc/92/42/19/813924219.db2.gz KBDHUHHVIZXGTQ-LLVKDONJSA-N 2 2 267.333 -0.240 20 0 CBADLP C[C@H]([NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C)c1nnnn1C ZINC001130300620 813924810 /nfs/dbraw/zinc/92/48/10/813924810.db2.gz SMBAUSIMSNBWBD-WDEREUQCSA-N 2 2 295.391 -0.539 20 0 CBADLP C[C@H]([NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C)c1nnnn1C ZINC001130300620 813924818 /nfs/dbraw/zinc/92/48/18/813924818.db2.gz SMBAUSIMSNBWBD-WDEREUQCSA-N 2 2 295.391 -0.539 20 0 CBADLP C[C@H]([NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C)c1nnnn1C ZINC001130300619 813925856 /nfs/dbraw/zinc/92/58/56/813925856.db2.gz SMBAUSIMSNBWBD-QWRGUYRKSA-N 2 2 295.391 -0.539 20 0 CBADLP C[C@H]([NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C)c1nnnn1C ZINC001130300619 813925860 /nfs/dbraw/zinc/92/58/60/813925860.db2.gz SMBAUSIMSNBWBD-QWRGUYRKSA-N 2 2 295.391 -0.539 20 0 CBADLP O=C(NCC[NH2+]CCOCCO)[C@@H]1CCn2c[nH+]cc2C1 ZINC001130405006 813935945 /nfs/dbraw/zinc/93/59/45/813935945.db2.gz UTJJVOCJULVWDA-GFCCVEGCSA-N 2 2 296.371 -0.840 20 0 CBADLP O=C(NCC[NH2+][C@H]1CCNC1=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001130405053 813936051 /nfs/dbraw/zinc/93/60/51/813936051.db2.gz VZZBGQSTURZRPT-JQWIXIFHSA-N 2 2 291.355 -0.960 20 0 CBADLP C[C@H]([NH2+]CCNC(=O)[C@H]1CCn2c[nH+]cc2C1)C(N)=O ZINC001130404374 813936170 /nfs/dbraw/zinc/93/61/70/813936170.db2.gz ISJGIAYLPKGLOT-UWVGGRQHSA-N 2 2 279.344 -0.975 20 0 CBADLP C[C@H](O)C[NH2+]CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001130404845 813937138 /nfs/dbraw/zinc/93/71/38/813937138.db2.gz QGTUYFRHOVAHOU-WDEREUQCSA-N 2 2 266.345 -0.468 20 0 CBADLP O=C(NCC[NH2+]CCOCCO)[C@H]1CCn2c[nH+]cc2C1 ZINC001130405007 813937376 /nfs/dbraw/zinc/93/73/76/813937376.db2.gz UTJJVOCJULVWDA-LBPRGKRZSA-N 2 2 296.371 -0.840 20 0 CBADLP C[C@H](O)C[NH2+]CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001130404844 813937415 /nfs/dbraw/zinc/93/74/15/813937415.db2.gz QGTUYFRHOVAHOU-QWRGUYRKSA-N 2 2 266.345 -0.468 20 0 CBADLP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001130418895 813938236 /nfs/dbraw/zinc/93/82/36/813938236.db2.gz BIKVMVUUBPGYAS-UHFFFAOYSA-N 2 2 298.391 -0.956 20 0 CBADLP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001130418895 813938242 /nfs/dbraw/zinc/93/82/42/813938242.db2.gz BIKVMVUUBPGYAS-UHFFFAOYSA-N 2 2 298.391 -0.956 20 0 CBADLP CC[C@@H]([NH2+]CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1)C(N)=O ZINC001130481470 813943823 /nfs/dbraw/zinc/94/38/23/813943823.db2.gz UJGAEJRASHIBGP-GHMZBOCLSA-N 2 2 293.371 -0.585 20 0 CBADLP CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001130481206 813944078 /nfs/dbraw/zinc/94/40/78/813944078.db2.gz MWBBPSYQRJQTJY-LLVKDONJSA-N 2 2 293.371 -0.713 20 0 CBADLP CN(C)C(=O)C[NH2+]CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001130477669 813944259 /nfs/dbraw/zinc/94/42/59/813944259.db2.gz HNPJNJBLEFHUHG-LLVKDONJSA-N 2 2 293.371 -0.761 20 0 CBADLP O=C(NCC[NH2+][C@H]1CCNC1=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001130480794 813944412 /nfs/dbraw/zinc/94/44/12/813944412.db2.gz CRDZSSHGAMJGOJ-QWRGUYRKSA-N 2 2 291.355 -0.960 20 0 CBADLP Cn1cc(C[NH2+]CCNC(=O)c2ccn3c[nH+]cc3c2)nn1 ZINC001130870381 813989420 /nfs/dbraw/zinc/98/94/20/813989420.db2.gz TVFSCSGQYOPYEQ-UHFFFAOYSA-N 2 2 299.338 -0.018 20 0 CBADLP CC[C@@H]([NH2+]CCNC(=O)CCc1[nH+]ccn1C)C(N)=O ZINC001131656491 814050856 /nfs/dbraw/zinc/05/08/56/814050856.db2.gz PRQSRAHSHLHSGQ-SNVBAGLBSA-N 2 2 281.360 -0.678 20 0 CBADLP CC[C@H]([NH2+]CCNC(=O)CCc1[nH+]ccn1C)C(N)=O ZINC001131656484 814052044 /nfs/dbraw/zinc/05/20/44/814052044.db2.gz PRQSRAHSHLHSGQ-JTQLQIEISA-N 2 2 281.360 -0.678 20 0 CBADLP CCCNC(=O)C[NH2+]CCNC(=O)CCn1cc[nH+]c1 ZINC001132080039 814099481 /nfs/dbraw/zinc/09/94/81/814099481.db2.gz ZBPJJCNAAHGMQJ-UHFFFAOYSA-N 2 2 281.360 -0.495 20 0 CBADLP CC[C@H](C)NC(=O)C[NH2+]CCNC(=O)CCn1cc[nH+]c1 ZINC001132079859 814100079 /nfs/dbraw/zinc/10/00/79/814100079.db2.gz PVGJRMDZQFFDAM-LBPRGKRZSA-N 2 2 295.387 -0.106 20 0 CBADLP C[C@H]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C[N@@H+]1CC(N)=O ZINC001132106368 814102747 /nfs/dbraw/zinc/10/27/47/814102747.db2.gz TZDOFRCEYWFEIJ-RYUDHWBXSA-N 2 2 296.415 -0.075 20 0 CBADLP C[C@H]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C[N@H+]1CC(N)=O ZINC001132106368 814102754 /nfs/dbraw/zinc/10/27/54/814102754.db2.gz TZDOFRCEYWFEIJ-RYUDHWBXSA-N 2 2 296.415 -0.075 20 0 CBADLP O=C(CCn1cc[nH+]c1)NCC[NH2+]CCn1cncn1 ZINC001132082683 814102967 /nfs/dbraw/zinc/10/29/67/814102967.db2.gz UBXHJUXEVKAWFT-UHFFFAOYSA-N 2 2 277.332 -0.729 20 0 CBADLP C[C@H]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C[N@@H+]1CC(N)=O ZINC001132106366 814102976 /nfs/dbraw/zinc/10/29/76/814102976.db2.gz TZDOFRCEYWFEIJ-NWDGAFQWSA-N 2 2 296.415 -0.075 20 0 CBADLP C[C@H]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C[N@H+]1CC(N)=O ZINC001132106366 814102980 /nfs/dbraw/zinc/10/29/80/814102980.db2.gz TZDOFRCEYWFEIJ-NWDGAFQWSA-N 2 2 296.415 -0.075 20 0 CBADLP CCN1CC[C@@H]([NH2+]CCNC(=O)CCn2cc[nH+]c2)C1=O ZINC001132082979 814103174 /nfs/dbraw/zinc/10/31/74/814103174.db2.gz ZLPDJCUVRPUAGG-GFCCVEGCSA-N 2 2 293.371 -0.400 20 0 CBADLP CC[C@@H]([NH2+]CCNC(=O)CCn1cc[nH+]c1)C(N)=O ZINC001132082917 814103367 /nfs/dbraw/zinc/10/33/67/814103367.db2.gz YMTNVFDQESPNNV-SNVBAGLBSA-N 2 2 267.333 -0.757 20 0 CBADLP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@@H](C)[NH+](CC(N)=O)C1 ZINC001132441906 814151583 /nfs/dbraw/zinc/15/15/83/814151583.db2.gz VCGXBSJJRZSRRC-VXGBXAGGSA-N 2 2 284.404 -0.217 20 0 CBADLP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[C@@H](C)[NH+](CC(N)=O)C1 ZINC001132441906 814151589 /nfs/dbraw/zinc/15/15/89/814151589.db2.gz VCGXBSJJRZSRRC-VXGBXAGGSA-N 2 2 284.404 -0.217 20 0 CBADLP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC(N)=O)C1 ZINC001132441906 814151594 /nfs/dbraw/zinc/15/15/94/814151594.db2.gz VCGXBSJJRZSRRC-VXGBXAGGSA-N 2 2 284.404 -0.217 20 0 CBADLP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC(N)=O)C1 ZINC001132441906 814151601 /nfs/dbraw/zinc/15/16/01/814151601.db2.gz VCGXBSJJRZSRRC-VXGBXAGGSA-N 2 2 284.404 -0.217 20 0 CBADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2ccon2)C1 ZINC001132848315 814193489 /nfs/dbraw/zinc/19/34/89/814193489.db2.gz DVGYQUODWAUKJY-CYBMUJFWSA-N 2 2 296.371 -0.010 20 0 CBADLP CC(C)[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2ccon2)C1 ZINC001132848315 814193496 /nfs/dbraw/zinc/19/34/96/814193496.db2.gz DVGYQUODWAUKJY-CYBMUJFWSA-N 2 2 296.371 -0.010 20 0 CBADLP C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+]CC(N)=O ZINC001133135660 814219899 /nfs/dbraw/zinc/21/98/99/814219899.db2.gz VFLSUWSABRSVIG-WDEREUQCSA-N 2 2 293.371 -0.488 20 0 CBADLP O=C(NCC[NH2+]CCOCCO)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001133663663 814283048 /nfs/dbraw/zinc/28/30/48/814283048.db2.gz FTWITNWQCLYHLV-NSHDSACASA-N 2 2 296.371 -0.456 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001133663540 814283202 /nfs/dbraw/zinc/28/32/02/814283202.db2.gz FMKXERZWJCSQIQ-ZJUUUORDSA-N 2 2 293.371 -0.330 20 0 CBADLP CC[C@@H]([NH2+]CCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21)C(N)=O ZINC001133663077 814283716 /nfs/dbraw/zinc/28/37/16/814283716.db2.gz BVORBLAKQSNCIW-VHSXEESVSA-N 2 2 293.371 -0.201 20 0 CBADLP O=C(NCC[NH2+][C@@H]1CCNC1=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001133664444 814284349 /nfs/dbraw/zinc/28/43/49/814284349.db2.gz RGIVVHKOBWPEFX-GXSJLCMTSA-N 2 2 291.355 -0.576 20 0 CBADLP Cc1nnc(C[NH2+]CCNC(=O)C[N@H+]2CCC[C@@H]2C)[nH]1 ZINC001133823549 814302524 /nfs/dbraw/zinc/30/25/24/814302524.db2.gz IYGRCDFCMVXRPY-JTQLQIEISA-N 2 2 280.376 -0.197 20 0 CBADLP Cc1nnc(C[NH2+]CCNC(=O)C[N@@H+]2CCC[C@@H]2C)[nH]1 ZINC001133823549 814302529 /nfs/dbraw/zinc/30/25/29/814302529.db2.gz IYGRCDFCMVXRPY-JTQLQIEISA-N 2 2 280.376 -0.197 20 0 CBADLP Cc1noc(C[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)n1 ZINC001133868120 814312796 /nfs/dbraw/zinc/31/27/96/814312796.db2.gz ZKYGVFAJJWICCO-KOLCDFICSA-N 2 2 281.360 -0.218 20 0 CBADLP Cc1noc(C[NH2+]CCNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)n1 ZINC001133868120 814312804 /nfs/dbraw/zinc/31/28/04/814312804.db2.gz ZKYGVFAJJWICCO-KOLCDFICSA-N 2 2 281.360 -0.218 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001134043114 814347115 /nfs/dbraw/zinc/34/71/15/814347115.db2.gz TVKXBFBKXFSDHT-HBNTYKKESA-N 2 2 293.371 -0.636 20 0 CBADLP CNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001134227534 814364528 /nfs/dbraw/zinc/36/45/28/814364528.db2.gz IILOZBNGXOZYRT-QWRGUYRKSA-N 2 2 295.387 -0.039 20 0 CBADLP CCN(CC)C(=O)[C@@H](C)[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001134401311 814379838 /nfs/dbraw/zinc/37/98/38/814379838.db2.gz YEOPMDAVCLFASE-LLVKDONJSA-N 2 2 295.387 -0.085 20 0 CBADLP CC(C)(C)NC(=O)C[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001134407281 814383260 /nfs/dbraw/zinc/38/32/60/814383260.db2.gz XXGKOMBAKCWICU-UHFFFAOYSA-N 2 2 281.360 -0.427 20 0 CBADLP COC[C@@H](O)C[NH2+]CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001134498675 814387552 /nfs/dbraw/zinc/38/75/52/814387552.db2.gz MVGHKGYBUYTQEQ-NEPJUHHUSA-N 2 2 284.360 -0.453 20 0 CBADLP CNC(=O)C[NH2+]CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001134495125 814387760 /nfs/dbraw/zinc/38/77/60/814387760.db2.gz QYSXXIQMTWDLDW-JTQLQIEISA-N 2 2 267.333 -0.714 20 0 CBADLP C[C@@H](CC(=O)NCC[NH2+][C@@H](C)C(N)=O)n1cc[nH+]c1 ZINC001134499162 814389028 /nfs/dbraw/zinc/38/90/28/814389028.db2.gz XNTXGAWHWKGRNG-UWVGGRQHSA-N 2 2 267.333 -0.586 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001134499186 814389155 /nfs/dbraw/zinc/38/91/55/814389155.db2.gz XYFXDCMNFMQVEH-MNOVXSKESA-N 2 2 281.360 -0.326 20 0 CBADLP CC[C@@H]([NH2+]CCNC(=O)C[C@H](C)n1cc[nH+]c1)C(N)=O ZINC001134517682 814392563 /nfs/dbraw/zinc/39/25/63/814392563.db2.gz ORKGIGQGIWIOFZ-WDEREUQCSA-N 2 2 281.360 -0.196 20 0 CBADLP CNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001134544885 814396208 /nfs/dbraw/zinc/39/62/08/814396208.db2.gz JSDPGHHASLQFQC-MNOVXSKESA-N 2 2 295.387 -0.039 20 0 CBADLP CNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001134544885 814396217 /nfs/dbraw/zinc/39/62/17/814396217.db2.gz JSDPGHHASLQFQC-MNOVXSKESA-N 2 2 295.387 -0.039 20 0 CBADLP C[C@H](C[C@H](C)NC(=O)CCc1c[nH]c[nH+]1)[NH2+]CC(N)=O ZINC001134544948 814396388 /nfs/dbraw/zinc/39/63/88/814396388.db2.gz KHDOHCNAANPCKI-ZJUUUORDSA-N 2 2 281.360 -0.300 20 0 CBADLP C[C@H](C[C@H](C)NC(=O)CCc1c[nH+]c[nH]1)[NH2+]CC(N)=O ZINC001134544948 814396396 /nfs/dbraw/zinc/39/63/96/814396396.db2.gz KHDOHCNAANPCKI-ZJUUUORDSA-N 2 2 281.360 -0.300 20 0 CBADLP CC[C@@H]([NH2+]CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C(N)=O ZINC001135080456 814434632 /nfs/dbraw/zinc/43/46/32/814434632.db2.gz UKYVPGLNUSALIA-MWLCHTKSSA-N 2 2 281.360 -0.442 20 0 CBADLP CC[C@@H]([NH2+]CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1)C(N)=O ZINC001135080456 814434638 /nfs/dbraw/zinc/43/46/38/814434638.db2.gz UKYVPGLNUSALIA-MWLCHTKSSA-N 2 2 281.360 -0.442 20 0 CBADLP CNC(=O)C[NH2+]CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001135072547 814434821 /nfs/dbraw/zinc/43/48/21/814434821.db2.gz ZSFFIPROFXAPSO-SECBINFHSA-N 2 2 267.333 -0.960 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+][C@@H](C)C(=O)N(C)C ZINC001135079630 814436381 /nfs/dbraw/zinc/43/63/81/814436381.db2.gz BAJFHDMJYULQCU-MNOVXSKESA-N 2 2 295.387 -0.229 20 0 CBADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[NH2+][C@@H](C)C(=O)N(C)C ZINC001135079630 814436386 /nfs/dbraw/zinc/43/63/86/814436386.db2.gz BAJFHDMJYULQCU-MNOVXSKESA-N 2 2 295.387 -0.229 20 0 CBADLP COCCOCC[NH2+]CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001135080633 814437666 /nfs/dbraw/zinc/43/76/66/814437666.db2.gz YQONSBBNYYIJST-LBPRGKRZSA-N 2 2 298.387 -0.043 20 0 CBADLP COCCOCC[NH2+]CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001135080633 814437671 /nfs/dbraw/zinc/43/76/71/814437671.db2.gz YQONSBBNYYIJST-LBPRGKRZSA-N 2 2 298.387 -0.043 20 0 CBADLP CNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001135130786 814439455 /nfs/dbraw/zinc/43/94/55/814439455.db2.gz AOKMANZYTKODIB-NEPJUHHUSA-N 2 2 295.387 -0.108 20 0 CBADLP CNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001135130791 814439694 /nfs/dbraw/zinc/43/96/94/814439694.db2.gz AOKMANZYTKODIB-VXGBXAGGSA-N 2 2 295.387 -0.108 20 0 CBADLP C[C@H](C[C@H](C)[NH2+]CC(N)=O)NC(=O)CCn1cc[nH+]c1 ZINC001135136231 814439720 /nfs/dbraw/zinc/43/97/20/814439720.db2.gz GTGDCSJBFZKQHK-WDEREUQCSA-N 2 2 281.360 -0.369 20 0 CBADLP CNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001135130788 814439730 /nfs/dbraw/zinc/43/97/30/814439730.db2.gz AOKMANZYTKODIB-NWDGAFQWSA-N 2 2 295.387 -0.108 20 0 CBADLP C[C@H](C[C@@H](C)[NH2+]CCOCCO)NC(=O)Cc1c[nH]c[nH+]1 ZINC001135553298 814490732 /nfs/dbraw/zinc/49/07/32/814490732.db2.gz SUCCZUMQXOUWAD-VXGBXAGGSA-N 2 2 298.387 -0.166 20 0 CBADLP C[C@H](C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1)[NH2+]CCOCCO ZINC001135553295 814490990 /nfs/dbraw/zinc/49/09/90/814490990.db2.gz SUCCZUMQXOUWAD-NEPJUHHUSA-N 2 2 298.387 -0.166 20 0 CBADLP COC[C@H](O)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001160326630 815616676 /nfs/dbraw/zinc/61/66/76/815616676.db2.gz OQLRSYGSVXVLJB-IJLUTSLNSA-N 2 2 296.371 -0.384 20 0 CBADLP COC[C@H](O)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001160326630 815616681 /nfs/dbraw/zinc/61/66/81/815616681.db2.gz OQLRSYGSVXVLJB-IJLUTSLNSA-N 2 2 296.371 -0.384 20 0 CBADLP C[C@H](O)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001160326936 815616867 /nfs/dbraw/zinc/61/68/67/815616867.db2.gz RHGRLQPLRSCUFH-HBNTYKKESA-N 2 2 266.345 -0.010 20 0 CBADLP C[C@H](O)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001160326936 815616870 /nfs/dbraw/zinc/61/68/70/815616870.db2.gz RHGRLQPLRSCUFH-HBNTYKKESA-N 2 2 266.345 -0.010 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001160332163 815617338 /nfs/dbraw/zinc/61/73/38/815617338.db2.gz IGLYQMXFSRWQHH-HBNTYKKESA-N 2 2 293.371 -0.256 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001160332163 815617344 /nfs/dbraw/zinc/61/73/44/815617344.db2.gz IGLYQMXFSRWQHH-HBNTYKKESA-N 2 2 293.371 -0.256 20 0 CBADLP C[C@H]([NH2+]CCNC(=O)Cc1[nH]cc[nH+]1)C(=O)N(C)C ZINC001135757938 814519597 /nfs/dbraw/zinc/51/95/97/814519597.db2.gz UYICMNCJTKYELG-VIFPVBQESA-N 2 2 267.333 -0.865 20 0 CBADLP C[C@H](O)CCC[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001135757381 814519685 /nfs/dbraw/zinc/51/96/85/814519685.db2.gz AIVZNXKYJVZING-JTQLQIEISA-N 2 2 254.334 -0.181 20 0 CBADLP CC(C)[C@@H](C)NC(=O)C[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001135754468 814519815 /nfs/dbraw/zinc/51/98/15/814519815.db2.gz CUBUEMBZMGSQBO-LLVKDONJSA-N 2 2 295.387 -0.181 20 0 CBADLP CCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001135766300 814521224 /nfs/dbraw/zinc/52/12/24/814521224.db2.gz OOIOLUMTWKLLBJ-SNVBAGLBSA-N 2 2 281.360 -0.427 20 0 CBADLP CCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001135766175 814521282 /nfs/dbraw/zinc/52/12/82/814521282.db2.gz LEKDWEZESPZIJU-LLVKDONJSA-N 2 2 295.387 -0.037 20 0 CBADLP CNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001135774505 814521439 /nfs/dbraw/zinc/52/14/39/814521439.db2.gz KVHGPKGSEQTTLS-UWVGGRQHSA-N 2 2 281.360 -0.429 20 0 CBADLP CC[C@H](C)NC(=O)[C@H](C)[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001135766565 814521756 /nfs/dbraw/zinc/52/17/56/814521756.db2.gz YFPYIGXSPGFMLR-QWRGUYRKSA-N 2 2 295.387 -0.039 20 0 CBADLP CN(C(=O)C[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001135759724 814522048 /nfs/dbraw/zinc/52/20/48/814522048.db2.gz COCZOOQHPJQKDA-UHFFFAOYSA-N 2 2 279.344 -0.721 20 0 CBADLP O=C(N1C[C@@H]2C[C@H]1C[C@H]2F)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160426096 815618959 /nfs/dbraw/zinc/61/89/59/815618959.db2.gz BQHPUSDYBVWLLO-HKLXJQGRSA-N 2 2 253.321 -0.103 20 0 CBADLP C[C@H](C[C@H](C)NC(=O)Cc1[nH]cc[nH+]1)[NH2+]CCOCCO ZINC001135799055 814528554 /nfs/dbraw/zinc/52/85/54/814528554.db2.gz QUZCREFKODAALC-NEPJUHHUSA-N 2 2 298.387 -0.166 20 0 CBADLP C[C@@H](C[C@H](C)[NH2+]CC(=O)N(C)C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001135798269 814529612 /nfs/dbraw/zinc/52/96/12/814529612.db2.gz DEFUCWGOZMNMAD-QWRGUYRKSA-N 2 2 295.387 -0.087 20 0 CBADLP CC(=O)N1CCCC[C@]12CCN(C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)C2 ZINC001160421021 815619725 /nfs/dbraw/zinc/61/97/25/815619725.db2.gz ACTHTKHHGYKVPQ-VNHYZAJKSA-N 2 2 294.399 -0.321 20 0 CBADLP C[C@H](C[C@H](C)[NH2+]CC(N)=O)NC(=O)Cc1c[nH+]cn1C ZINC001135944244 814539543 /nfs/dbraw/zinc/53/95/43/814539543.db2.gz HQDJUUCPTWTUJY-VHSXEESVSA-N 2 2 281.360 -0.679 20 0 CBADLP C[NH+]1CC(C(=O)N2CCN(c3[nH+]cccc3N)CC2)C1 ZINC001142594809 814723405 /nfs/dbraw/zinc/72/34/05/814723405.db2.gz ZMLUGRYEVNDZPG-UHFFFAOYSA-N 2 2 275.356 -0.126 20 0 CBADLP C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC3CC[NH+]2CC3)C1 ZINC001142633577 814727431 /nfs/dbraw/zinc/72/74/31/814727431.db2.gz QNTJHKBGZXCTKL-STQMWFEESA-N 2 2 267.373 -0.083 20 0 CBADLP C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC3CC[NH+]2CC3)C1 ZINC001142633577 814727435 /nfs/dbraw/zinc/72/74/35/814727435.db2.gz QNTJHKBGZXCTKL-STQMWFEESA-N 2 2 267.373 -0.083 20 0 CBADLP NC(=O)C[NH2+]CCNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001146520790 814839894 /nfs/dbraw/zinc/83/98/94/814839894.db2.gz YYKJDJYQMANCBZ-UHFFFAOYSA-N 2 2 288.311 -0.928 20 0 CBADLP C[C@H](C[C@H](C)[NH2+]CC(N)=O)NC(=O)Cn1cc[nH+]c1 ZINC001146759453 814846538 /nfs/dbraw/zinc/84/65/38/814846538.db2.gz WIYICKJZUGXCMO-VHSXEESVSA-N 2 2 267.333 -0.759 20 0 CBADLP C[C@H](C[C@@H](C)[NH2+]CCOCCO)NC(=O)Cn1cc[nH+]c1 ZINC001146755159 814847213 /nfs/dbraw/zinc/84/72/13/814847213.db2.gz HOTBJYBKIAWYJK-CHWSQXEVSA-N 2 2 298.387 -0.235 20 0 CBADLP CNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001146772104 814847220 /nfs/dbraw/zinc/84/72/20/814847220.db2.gz QFBQLMFHBVXDCX-GHMZBOCLSA-N 2 2 281.360 -0.498 20 0 CBADLP Cc1cc(C[NH2+]CCNC(=O)Cc2c[nH+]cn2C)ncn1 ZINC001147872061 814920499 /nfs/dbraw/zinc/92/04/99/814920499.db2.gz ZETNCVOMOSEVMO-UHFFFAOYSA-N 2 2 288.355 -0.033 20 0 CBADLP C[C@@H](O)CCC[NH2+]CCNC(=O)Cc1c[nH+]cn1C ZINC001147871615 814920539 /nfs/dbraw/zinc/92/05/39/814920539.db2.gz FCRYWIORQVNSFH-LLVKDONJSA-N 2 2 268.361 -0.171 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NCC[NH2+]CCNC(=O)C1CC1 ZINC001147877606 814921876 /nfs/dbraw/zinc/92/18/76/814921876.db2.gz MLOBIUWJSSRREI-UHFFFAOYSA-N 2 2 293.371 -0.805 20 0 CBADLP C[N@@H+]1CC[C@H](CC(=O)NCC[NH2+]Cc2cnon2)C1 ZINC001147886725 814923707 /nfs/dbraw/zinc/92/37/07/814923707.db2.gz ZNCIWDKNXNWOIS-SNVBAGLBSA-N 2 2 267.333 -0.383 20 0 CBADLP C[N@H+]1CC[C@H](CC(=O)NCC[NH2+]Cc2cnon2)C1 ZINC001147886725 814923713 /nfs/dbraw/zinc/92/37/13/814923713.db2.gz ZNCIWDKNXNWOIS-SNVBAGLBSA-N 2 2 267.333 -0.383 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NCC[NH2+]CC(=O)NCC1CC1 ZINC001147899899 814924099 /nfs/dbraw/zinc/92/40/99/814924099.db2.gz BYDCBBUSRLIFMJ-UHFFFAOYSA-N 2 2 293.371 -0.805 20 0 CBADLP Cn1nnc(C[NH2+]CCCNC(=O)[C@H](C2CC2)[NH+](C)C)n1 ZINC001159915663 815604519 /nfs/dbraw/zinc/60/45/19/815604519.db2.gz LPCGUULDMSDGFV-LBPRGKRZSA-N 2 2 295.391 -0.854 20 0 CBADLP CN(CC1CC[NH+](C)CC1)C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001160453938 815623752 /nfs/dbraw/zinc/62/37/52/815623752.db2.gz GWPKTTWLBKWPES-RYUDHWBXSA-N 3 2 254.378 -0.667 20 0 CBADLP Cc1cc(CN(C)C(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)n(C)n1 ZINC001160475423 815626470 /nfs/dbraw/zinc/62/64/70/815626470.db2.gz OGBPCVNHMWAVHL-FZMZJTMJSA-N 2 2 277.372 -0.362 20 0 CBADLP N[C@@H](C[NH3+])C(=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC001160490630 815627866 /nfs/dbraw/zinc/62/78/66/815627866.db2.gz VFLDRVZTWDIVIW-ZDUSSCGKSA-N 2 2 277.372 -0.946 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CC(OCc2ccccc2)C1 ZINC001160491203 815629581 /nfs/dbraw/zinc/62/95/81/815629581.db2.gz WUGSSAYZJUAUGG-KBPBESRZSA-N 2 2 275.352 -0.039 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCC([NH3+])CC1 ZINC001160503834 815631002 /nfs/dbraw/zinc/63/10/02/815631002.db2.gz HGZPIBCNWSHIQI-NSHDSACASA-N 3 2 251.334 -0.760 20 0 CBADLP CC[NH+]1CCC(N(C)C(=O)[C@@H]([NH3+])Cc2nn[nH]n2)CC1 ZINC001160537974 815633666 /nfs/dbraw/zinc/63/36/66/815633666.db2.gz RFULXCANRDEZPZ-JTQLQIEISA-N 2 2 281.364 -0.988 20 0 CBADLP COC(=O)[C@@H]([NH3+])CC(=O)n1ccc([C@@H]2CCC[NH2+]2)nc1=N ZINC001160539365 815633957 /nfs/dbraw/zinc/63/39/57/815633957.db2.gz QZEBBBQKFLDRKA-IUCAKERBSA-N 2 2 293.327 -0.682 20 0 CBADLP CN(CC1(C)COC1)C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001160545826 815635269 /nfs/dbraw/zinc/63/52/69/815635269.db2.gz VCYQBZLSYSCLKJ-GARJFASQSA-N 2 2 253.346 -0.569 20 0 CBADLP CN(CC1(C)COC1)C(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160546308 815635503 /nfs/dbraw/zinc/63/55/03/815635503.db2.gz XYRSLCRTEVQGBA-GXFFZTMASA-N 2 2 253.346 -0.567 20 0 CBADLP Cc1nc([C@@H]2CCCCN2C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])no1 ZINC001160548658 815635830 /nfs/dbraw/zinc/63/58/30/815635830.db2.gz HLURLZXIMZQCBT-DCAQKATOSA-N 2 2 279.344 -0.022 20 0 CBADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CCc2ncccc2C1 ZINC001160549101 815637086 /nfs/dbraw/zinc/63/70/86/815637086.db2.gz QBWGXUOKNFLUFN-FPMFFAJLSA-N 2 2 272.352 -0.084 20 0 CBADLP O=C(N1CCC2(CCC(=O)O2)CC1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160575796 815640378 /nfs/dbraw/zinc/64/03/78/815640378.db2.gz JERGHCPKIWTZJF-XHDPSFHLSA-N 2 2 293.367 -0.364 20 0 CBADLP CCOC(=O)[C@H]1CCCCN1C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001160580819 815641011 /nfs/dbraw/zinc/64/10/11/815641011.db2.gz CHLCZGLLXMLLHG-GARJFASQSA-N 2 2 269.345 -0.523 20 0 CBADLP CCOC(=O)[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001160582681 815641054 /nfs/dbraw/zinc/64/10/54/815641054.db2.gz PZYOKUIXGIXAIN-WUHRBBMRSA-N 2 2 295.383 -0.120 20 0 CBADLP COC(C)(C)[C@H]1CCCN1C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001160582003 815641160 /nfs/dbraw/zinc/64/11/60/815641160.db2.gz JRIFUELUNVKCQF-GARJFASQSA-N 2 2 255.362 -0.051 20 0 CBADLP CCOC(=O)[C@@H]1CN(C(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)CCO1 ZINC001160596093 815642334 /nfs/dbraw/zinc/64/23/34/815642334.db2.gz BCNNSTAAIGLZOV-MNOVXSKESA-N 2 2 296.327 -0.930 20 0 CBADLP CCOC(=O)[C@H]1CN(C(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)CCO1 ZINC001160596095 815642563 /nfs/dbraw/zinc/64/25/63/815642563.db2.gz BCNNSTAAIGLZOV-WDEREUQCSA-N 2 2 296.327 -0.930 20 0 CBADLP O=C(N1CCC[C@H](CCO)C1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160610991 815644975 /nfs/dbraw/zinc/64/49/75/815644975.db2.gz QTXHZFWWSNDRMD-YRGRVCCFSA-N 2 2 267.373 -0.441 20 0 CBADLP COC(=O)[C@@]1(C)CCCN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)C1 ZINC001160636648 815647347 /nfs/dbraw/zinc/64/73/47/815647347.db2.gz QDMMYRXSVXBVJS-OHTBPHCPSA-N 2 2 295.383 -0.262 20 0 CBADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)N2CC[C@@H]([NH3+])[C@H](O)C2)cc1 ZINC001160656611 815652792 /nfs/dbraw/zinc/65/27/92/815652792.db2.gz ZIGJSHYKIVAART-FRRDWIJNSA-N 3 2 278.356 -0.821 20 0 CBADLP CC(C)[C@@H]1COCCN1C(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160670335 815656117 /nfs/dbraw/zinc/65/61/17/815656117.db2.gz XCEMLSZLNLUCLE-SGMGOOAPSA-N 2 2 267.373 -0.179 20 0 CBADLP [NH3+]C[C@@H](O)CC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001160689590 815656962 /nfs/dbraw/zinc/65/69/62/815656962.db2.gz PFSXDFQUUVDUCX-ZJUUUORDSA-N 2 2 252.318 -0.175 20 0 CBADLP COC(CN(C)C(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2)OC ZINC001160684408 815657484 /nfs/dbraw/zinc/65/74/84/815657484.db2.gz UGZWGPYULJQNNU-JOYOIKCWSA-N 2 2 257.334 -0.985 20 0 CBADLP O=C([C@H]1[NH2+]CC[C@@H]1O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001160694160 815658733 /nfs/dbraw/zinc/65/87/33/815658733.db2.gz RRTYBZVSKHGZQF-VWYCJHECSA-N 2 2 264.329 -0.162 20 0 CBADLP CN(C[C@@H]1CCC[NH2+]C1)C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001160695104 815659344 /nfs/dbraw/zinc/65/93/44/815659344.db2.gz ILVLCHRSSJSJTF-BYNQJWBRSA-N 3 2 266.389 -0.334 20 0 CBADLP CN(C[C@@H]1CCC[NH2+]C1)C(=O)[C@@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001160698661 815660659 /nfs/dbraw/zinc/66/06/59/815660659.db2.gz OHYPEDMBOBOSIE-OCCSQVGLSA-N 3 2 297.447 -0.805 20 0 CBADLP CN(C[C@H]1CCC[NH2+]C1)C(=O)[C@@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001160698660 815660835 /nfs/dbraw/zinc/66/08/35/815660835.db2.gz OHYPEDMBOBOSIE-JSGCOSHPSA-N 3 2 297.447 -0.805 20 0 CBADLP CCN(CC(C)(C)O)C(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160755391 815667238 /nfs/dbraw/zinc/66/72/38/815667238.db2.gz HIKKMASLCIATIS-MFKMUULPSA-N 2 2 255.362 -0.443 20 0 CBADLP CCN(CC(C)(C)O)C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001160755553 815667422 /nfs/dbraw/zinc/66/74/22/815667422.db2.gz KBFZTGGUFIMOAH-BREBYQMCSA-N 2 2 255.362 -0.172 20 0 CBADLP C[S@@](=O)CC[C@H]([NH3+])C(=O)N1CCc2[nH+]ccn2CC1 ZINC001160760135 815669423 /nfs/dbraw/zinc/66/94/23/815669423.db2.gz DQTUSJYNBFYTQR-APBUJDDRSA-N 2 2 284.385 -0.636 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CCC2(C[C@@H](F)CO2)CC1 ZINC001160788496 815672353 /nfs/dbraw/zinc/67/23/53/815672353.db2.gz RWQLOFMIBIXNET-VWYCJHECSA-N 2 2 271.336 -0.347 20 0 CBADLP COC(=O)C[C@@H]1CCCN(C(=O)C2([NH3+])CC[NH2+]CC2)C1 ZINC001160832340 815674462 /nfs/dbraw/zinc/67/44/62/815674462.db2.gz FDOQZQFUOBXMEZ-NSHDSACASA-N 2 2 283.372 -0.131 20 0 CBADLP COC(=O)C[C@H]1CCCN(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)C1 ZINC001160833798 815675799 /nfs/dbraw/zinc/67/57/99/815675799.db2.gz UMDNSYBXUSSOIC-MXWKQRLJSA-N 2 2 269.345 -0.523 20 0 CBADLP O=C(N1CCC(n2cccn2)CC1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160845332 815677299 /nfs/dbraw/zinc/67/72/99/815677299.db2.gz CECDVADEKLTQQU-WFASDCNBSA-N 2 2 289.383 -0.002 20 0 CBADLP O=C([C@H]1[NH2+]CC[C@@H]1O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001160849351 815679151 /nfs/dbraw/zinc/67/91/51/815679151.db2.gz PSXDFRKDEMZBHB-RYUDHWBXSA-N 2 2 264.329 -0.162 20 0 CBADLP O=C([C@H]1[NH2+]CC[C@@H]1O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC001160849351 815679156 /nfs/dbraw/zinc/67/91/56/815679156.db2.gz PSXDFRKDEMZBHB-RYUDHWBXSA-N 2 2 264.329 -0.162 20 0 CBADLP CCOC(=O)[C@H]1[C@@H]2CN(C(=O)C3([NH3+])CC[NH2+]CC3)C[C@@H]21 ZINC001160884796 815684984 /nfs/dbraw/zinc/68/49/84/815684984.db2.gz WOFJJTPOBFZNQV-URLYPYJESA-N 2 2 281.356 -0.665 20 0 CBADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H]([NH3+])CC(F)(F)C1 ZINC001160967015 815691302 /nfs/dbraw/zinc/69/13/02/815691302.db2.gz IJMCDPJEEFLYFT-APPZFPTMSA-N 3 2 273.287 -0.526 20 0 CBADLP CC1(C)CN(C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])CC(C)(C)O1 ZINC001160966971 815691804 /nfs/dbraw/zinc/69/18/04/815691804.db2.gz HQTPEYLZTAKWKS-UWVGGRQHSA-N 2 2 255.362 -0.051 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001160965093 815691740 /nfs/dbraw/zinc/69/17/40/815691740.db2.gz SSCUKCCBJUPYKJ-OSAQELSMSA-N 3 2 291.399 -0.300 20 0 CBADLP [NH3+][C@H]1CN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)CC(F)(F)C1 ZINC001160969258 815692362 /nfs/dbraw/zinc/69/23/62/815692362.db2.gz ZAWKSZUSMJMGRM-QCLAVDOMSA-N 3 2 274.315 -0.869 20 0 CBADLP [NH3+][C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)CC(F)(F)C1 ZINC001160969278 815693511 /nfs/dbraw/zinc/69/35/11/815693511.db2.gz ZHWGNYGJMFUYDM-AUTRQRHGSA-N 3 2 274.315 -0.867 20 0 CBADLP CC(C)OC1CN(C(=O)[C@H](N)C[NH+]2CCC([NH3+])CC2)C1 ZINC001161010648 815694344 /nfs/dbraw/zinc/69/43/44/815694344.db2.gz YLLNULGZKOWZSO-CYBMUJFWSA-N 2 2 284.404 -0.627 20 0 CBADLP CC(C)OC1CN(C(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)C1 ZINC001161010785 815694508 /nfs/dbraw/zinc/69/45/08/815694508.db2.gz MZAFKZPRZFWYAC-NSHDSACASA-N 2 2 252.318 -0.085 20 0 CBADLP O=C1C[NH2+]CCN1CCNc1nc(NC2CC2)cc[nH+]1 ZINC001161018683 815696393 /nfs/dbraw/zinc/69/63/93/815696393.db2.gz DRCDAKBSRITCIM-UHFFFAOYSA-N 2 2 276.344 -0.105 20 0 CBADLP CC(=O)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)C1 ZINC001161034275 815700994 /nfs/dbraw/zinc/70/09/94/815700994.db2.gz FNQBNLJRGDNONA-NOOOWODRSA-N 2 2 251.330 -0.626 20 0 CBADLP NC(=S)C1CCN(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)CC1 ZINC001161032536 815701192 /nfs/dbraw/zinc/70/11/92/815701192.db2.gz WFFWATDNEUFMCZ-BDAKNGLRSA-N 2 2 256.375 -0.800 20 0 CBADLP CC(=O)[C@H]1CCN(C(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)C1 ZINC001161034474 815702213 /nfs/dbraw/zinc/70/22/13/815702213.db2.gz JWNGGBLPFOQLKT-JQWIXIFHSA-N 2 2 264.329 -0.273 20 0 CBADLP CC(C)[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)C1 ZINC001161050139 815703380 /nfs/dbraw/zinc/70/33/80/815703380.db2.gz LVFRXIBHBZTVHL-XDQVBPFNSA-N 3 2 280.416 -0.123 20 0 CBADLP CC(C)[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)C1 ZINC001161050139 815703383 /nfs/dbraw/zinc/70/33/83/815703383.db2.gz LVFRXIBHBZTVHL-XDQVBPFNSA-N 3 2 280.416 -0.123 20 0 CBADLP CC(C)[N@H+](C)[C@H]1CCN(C(=O)[C@@H]([NH3+])Cc2nn[nH]n2)C1 ZINC001161049239 815703709 /nfs/dbraw/zinc/70/37/09/815703709.db2.gz DNFWEVOSZWSNLV-UWVGGRQHSA-N 2 2 281.364 -0.989 20 0 CBADLP CC(C)[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]([NH3+])Cc2nn[nH]n2)C1 ZINC001161049239 815703713 /nfs/dbraw/zinc/70/37/13/815703713.db2.gz DNFWEVOSZWSNLV-UWVGGRQHSA-N 2 2 281.364 -0.989 20 0 CBADLP C[N@@H+]1CCC[C@H]2CN(C(=O)C[NH2+]C3CC[NH2+]CC3)C[C@H]21 ZINC001161081240 815709658 /nfs/dbraw/zinc/70/96/58/815709658.db2.gz HYRSRIUNPUSBMU-GXTWGEPZSA-N 3 2 280.416 -0.119 20 0 CBADLP C[N@H+]1CCC[C@H]2CN(C(=O)C[NH2+]C3CC[NH2+]CC3)C[C@H]21 ZINC001161081240 815709660 /nfs/dbraw/zinc/70/96/60/815709660.db2.gz HYRSRIUNPUSBMU-GXTWGEPZSA-N 3 2 280.416 -0.119 20 0 CBADLP C[N@@H+]1CCC[C@H]2CN(C(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])C[C@@H]21 ZINC001161081026 815709803 /nfs/dbraw/zinc/70/98/03/815709803.db2.gz CJYBHJABNMPZCX-BJDJZHNGSA-N 3 2 252.362 -0.914 20 0 CBADLP C[N@H+]1CCC[C@H]2CN(C(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])C[C@@H]21 ZINC001161081026 815709806 /nfs/dbraw/zinc/70/98/06/815709806.db2.gz CJYBHJABNMPZCX-BJDJZHNGSA-N 3 2 252.362 -0.914 20 0 CBADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)C[C@H]21 ZINC001161081088 815710195 /nfs/dbraw/zinc/71/01/95/815710195.db2.gz DOKHGLARICGYSR-WISYIIOYSA-N 3 2 252.362 -0.772 20 0 CBADLP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)C[C@H]21 ZINC001161081088 815710199 /nfs/dbraw/zinc/71/01/99/815710199.db2.gz DOKHGLARICGYSR-WISYIIOYSA-N 3 2 252.362 -0.772 20 0 CBADLP COC(=O)[C@@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)[C@@H]1C ZINC001161117981 815716990 /nfs/dbraw/zinc/71/69/90/815716990.db2.gz YPECGWUADYCBHH-BLTAXRJOSA-N 2 2 295.383 -0.262 20 0 CBADLP COC(=O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)[C@@H]1C ZINC001161117840 815717262 /nfs/dbraw/zinc/71/72/62/815717262.db2.gz UTCBRJIUFFYXSC-DBIOUOCHSA-N 2 2 269.345 -0.524 20 0 CBADLP CC(=O)N1CCC[C@H](N(C)C(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)C1 ZINC001161128780 815717391 /nfs/dbraw/zinc/71/73/91/815717391.db2.gz AMZTYEWTGHYFMT-STQMWFEESA-N 2 2 293.371 -0.251 20 0 CBADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@@H]([NH3+])c2ccccc2)C1 ZINC001161137095 815719310 /nfs/dbraw/zinc/71/93/10/815719310.db2.gz BVMVBFMRXXZPDV-FZMZJTMJSA-N 2 2 277.324 -0.211 20 0 CBADLP CNC(=O)C[NH+]1CCC(Nc2cc[nH+]c(N)n2)CC1 ZINC001161139814 815720000 /nfs/dbraw/zinc/72/00/00/815720000.db2.gz JDOIBIBSRMMVCK-UHFFFAOYSA-N 2 2 264.333 -0.319 20 0 CBADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@H]2CC[NH2+]C[C@@H]2F)C1 ZINC001161138946 815720359 /nfs/dbraw/zinc/72/03/59/815720359.db2.gz HTABPJIHQICXPC-AUTRQRHGSA-N 2 2 273.308 -0.963 20 0 CBADLP COC(=O)[C@]1([NH3+])CCN(C(=O)C=C2CC[NH2+]CC2)C1 ZINC001161139105 815720688 /nfs/dbraw/zinc/72/06/88/815720688.db2.gz KXMIEURPVWNJEZ-ZDUSSCGKSA-N 2 2 267.329 -0.601 20 0 CBADLP CO[C@H](C)C1CN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)C1 ZINC001161146608 815722363 /nfs/dbraw/zinc/72/23/63/815722363.db2.gz QLEFTGCEXBXNKZ-LLHIFLOGSA-N 2 2 253.346 -0.570 20 0 CBADLP CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]4C[NH2+]C[C@H]4[NH2+]3)C[C@H]2C1 ZINC001161175302 815724254 /nfs/dbraw/zinc/72/42/54/815724254.db2.gz KQRLZLCSCIWZRL-SBJFKYEJSA-N 3 2 292.427 -0.264 20 0 CBADLP CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]4C[NH2+]C[C@H]4[NH2+]3)C[C@H]2C1 ZINC001161175302 815724258 /nfs/dbraw/zinc/72/42/58/815724258.db2.gz KQRLZLCSCIWZRL-SBJFKYEJSA-N 3 2 292.427 -0.264 20 0 CBADLP CN(C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)[C@@H]1CCC2(C1)OCCO2 ZINC001161218890 815728760 /nfs/dbraw/zinc/72/87/60/815728760.db2.gz LFZMKNNLRUHBHF-QNWHQSFQSA-N 2 2 295.383 -0.310 20 0 CBADLP C[C@H]([NH2+]CCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1)C(N)=O ZINC001161215395 815728768 /nfs/dbraw/zinc/72/87/68/815728768.db2.gz SDKZIQVUGPTBOZ-WDEREUQCSA-N 2 2 293.371 -0.585 20 0 CBADLP C[C@H]1CN(C(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)C[C@H](C)[NH2+]1 ZINC001161229786 815729679 /nfs/dbraw/zinc/72/96/79/815729679.db2.gz VYBVRNAKEYJORO-MEWQQHAOSA-N 3 2 252.362 -0.853 20 0 CBADLP C[C@H]1CN(C(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)C[C@H](C)[NH2+]1 ZINC001161229787 815730457 /nfs/dbraw/zinc/73/04/57/815730457.db2.gz VYBVRNAKEYJORO-MRBYEJRBSA-N 3 2 252.362 -0.853 20 0 CBADLP COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)C1CC2(C[NH2+]C2)C1 ZINC001161238673 815731521 /nfs/dbraw/zinc/73/15/21/815731521.db2.gz VHXQAVKAIXETLU-NSHDSACASA-N 2 2 281.356 -0.698 20 0 CBADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)C1CC2(C[NH2+]C2)C1 ZINC001161238673 815731526 /nfs/dbraw/zinc/73/15/26/815731526.db2.gz VHXQAVKAIXETLU-NSHDSACASA-N 2 2 281.356 -0.698 20 0 CBADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CCC[C@H](n2ccnn2)C1 ZINC001161235031 815732059 /nfs/dbraw/zinc/73/20/59/815732059.db2.gz LLCYVYDBNLUJEZ-ZDEQEGDKSA-N 2 2 290.371 -0.609 20 0 CBADLP COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC001161236268 815732459 /nfs/dbraw/zinc/73/24/59/815732459.db2.gz CBZOTBPZNKPXFE-GMTAPVOTSA-N 2 2 269.345 -0.571 20 0 CBADLP COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC001161236268 815732465 /nfs/dbraw/zinc/73/24/65/815732465.db2.gz CBZOTBPZNKPXFE-GMTAPVOTSA-N 2 2 269.345 -0.571 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CCC[C@H](Oc2ncccn2)C1 ZINC001161294989 815736638 /nfs/dbraw/zinc/73/66/38/815736638.db2.gz CPTLITRGNNXYEV-SRVKXCTJSA-N 2 2 291.355 -0.607 20 0 CBADLP O=C(N1CCC2(CCC(=O)N2)CC1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001161296981 815737877 /nfs/dbraw/zinc/73/78/77/815737877.db2.gz PNTNWQSTTAVXSY-IAQYHMDHSA-N 2 2 292.383 -0.791 20 0 CBADLP CNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001161300382 815738258 /nfs/dbraw/zinc/73/82/58/815738258.db2.gz LFXRNRZTMDPFPU-LLVKDONJSA-N 2 2 293.371 -0.713 20 0 CBADLP CNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001161308867 815738599 /nfs/dbraw/zinc/73/85/99/815738599.db2.gz FTGZEMRASSEMIJ-LLVKDONJSA-N 2 2 293.371 -0.713 20 0 CBADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC2(CCC(=O)N2)CC1 ZINC001161297591 815738625 /nfs/dbraw/zinc/73/86/25/815738625.db2.gz ZHXDEJCRDGCEPD-NSHDSACASA-N 2 2 291.355 -0.449 20 0 CBADLP O=C(NCCC[NH2+]CCCO)[C@H]1CCc2[nH+]ccn2C1 ZINC001161314604 815739274 /nfs/dbraw/zinc/73/92/74/815739274.db2.gz DREOGUSINDBXDX-LBPRGKRZSA-N 2 2 280.372 -0.076 20 0 CBADLP C[C@H]([NH2+]CCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)C(N)=O ZINC001161310635 815739712 /nfs/dbraw/zinc/73/97/12/815739712.db2.gz WWRFYPOMWPVBPN-WDEREUQCSA-N 2 2 293.371 -0.585 20 0 CBADLP C[C@@H](O)C[NH2+]CCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001161314847 815739855 /nfs/dbraw/zinc/73/98/55/815739855.db2.gz LHUIHGAIXQWHJQ-NEPJUHHUSA-N 2 2 280.372 -0.078 20 0 CBADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)NCCC[NH2+]CCO)C2 ZINC001161323013 815739955 /nfs/dbraw/zinc/73/99/55/815739955.db2.gz ACHWJFBNWMTKSP-NSHDSACASA-N 2 2 280.372 -0.089 20 0 CBADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)NCCC[NH2+]CCO)CC2 ZINC001161323013 815739958 /nfs/dbraw/zinc/73/99/58/815739958.db2.gz ACHWJFBNWMTKSP-NSHDSACASA-N 2 2 280.372 -0.089 20 0 CBADLP C[C@H](O)C[NH2+]CCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001161309688 815739987 /nfs/dbraw/zinc/73/99/87/815739987.db2.gz OTBGPOQRTBDVBB-NWDGAFQWSA-N 2 2 280.372 -0.078 20 0 CBADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)NCCC[NH2+]CC(N)=O)C2 ZINC001161324412 815740101 /nfs/dbraw/zinc/74/01/01/815740101.db2.gz UQXUQRRVOBQEQG-JTQLQIEISA-N 2 2 293.371 -0.596 20 0 CBADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)NCCC[NH2+]CC(N)=O)CC2 ZINC001161324412 815740102 /nfs/dbraw/zinc/74/01/02/815740102.db2.gz UQXUQRRVOBQEQG-JTQLQIEISA-N 2 2 293.371 -0.596 20 0 CBADLP CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@H]1CCC[NH2+]C1 ZINC001161330956 815741187 /nfs/dbraw/zinc/74/11/87/815741187.db2.gz RKHPDHRUJQNQFB-RYUDHWBXSA-N 2 2 255.362 -0.083 20 0 CBADLP CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@H]1CCC[NH2+]C1 ZINC001161330956 815741190 /nfs/dbraw/zinc/74/11/90/815741190.db2.gz RKHPDHRUJQNQFB-RYUDHWBXSA-N 2 2 255.362 -0.083 20 0 CBADLP CC(C)N(C(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2)[C@H]1CC[NH2+]C1 ZINC001161350669 815746462 /nfs/dbraw/zinc/74/64/62/815746462.db2.gz AZEODHMWLPQJCJ-OBJOEFQTSA-N 3 2 266.389 -0.463 20 0 CBADLP Cc1c[nH+]ccc1O[C@H]1CCN(C(=O)[C@@H](N)C[NH3+])C1 ZINC001161387614 815748810 /nfs/dbraw/zinc/74/88/10/815748810.db2.gz RSFZBOHHOUTHOK-QWRGUYRKSA-N 2 2 264.329 -0.344 20 0 CBADLP [NH3+]C1(C(=O)N2CCO[C@@H](C[NH+]3CCCC3)C2)CC[NH2+]CC1 ZINC001161389239 815749813 /nfs/dbraw/zinc/74/98/13/815749813.db2.gz PPVAMLNBTVADCS-ZDUSSCGKSA-N 3 2 296.415 -0.610 20 0 CBADLP Cc1cccnc1O[C@H]1CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])C1 ZINC001161393848 815750158 /nfs/dbraw/zinc/75/01/58/815750158.db2.gz JIVDCGGUFPYLRJ-AVGNSLFASA-N 2 2 290.367 -0.084 20 0 CBADLP [NH3+][C@@H]1CC[C@H]2CN(C(=O)[C@@H]3C[C@H]4C[NH2+]C[C@H]4[NH2+]3)C[C@H]12 ZINC001161413249 815751961 /nfs/dbraw/zinc/75/19/61/815751961.db2.gz ODAXUXCSXHHVAB-LVTVNPDKSA-N 3 2 264.373 -0.868 20 0 CBADLP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]4C[NH2+]C[C@H]4[NH2+]3)C[C@@H]12 ZINC001161413250 815752095 /nfs/dbraw/zinc/75/20/95/815752095.db2.gz ODAXUXCSXHHVAB-QRNINRFLSA-N 3 2 264.373 -0.868 20 0 CBADLP C[C@]1(C[NH3+])CCCN(C(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)C1 ZINC001161489970 815761756 /nfs/dbraw/zinc/76/17/56/815761756.db2.gz SMZYQDBMRHYWFT-WCQYABFASA-N 3 2 265.361 -0.133 20 0 CBADLP C[C@]1(C[NH3+])CCCN(C(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)C1 ZINC001161490336 815761863 /nfs/dbraw/zinc/76/18/63/815761863.db2.gz YUBQFDLBWQTMDC-MRVWCRGKSA-N 3 2 266.389 -0.475 20 0 CBADLP Cc1nc2c(o1)CCN(C(=O)[C@]13C[NH2+]C[C@H]1CC[NH2+]3)C2 ZINC001161522750 815766016 /nfs/dbraw/zinc/76/60/16/815766016.db2.gz GMHNZWCBMHAHBC-YGRLFVJLSA-N 2 2 276.340 -0.181 20 0 CBADLP CO[C@@H]1CCN(C(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)[C@H](C)C1 ZINC001161534042 815767556 /nfs/dbraw/zinc/76/75/56/815767556.db2.gz CMAVVSZTSUUBIO-GFQSEFKGSA-N 2 2 267.373 -0.036 20 0 CBADLP C[NH+]1CC2(CN(C(=O)c3cnc(C[NH3+])s3)C2)C1 ZINC001161532138 815768445 /nfs/dbraw/zinc/76/84/45/815768445.db2.gz NWJGZBPULKWABD-UHFFFAOYSA-N 2 2 252.343 -0.011 20 0 CBADLP O=C([C@H]1C[NH2+]Cc2ccnn21)N1CC[NH2+]C2(CC2)C1 ZINC001161543320 815769900 /nfs/dbraw/zinc/76/99/00/815769900.db2.gz OCWDMOODDUOJND-LLVKDONJSA-N 2 2 261.329 -0.508 20 0 CBADLP COC(=O)CC[C@@H]1COCCN1C(=O)C1([NH3+])CC[NH2+]CC1 ZINC001161567574 815770882 /nfs/dbraw/zinc/77/08/82/815770882.db2.gz YDNIXNJSAOBRDC-LLVKDONJSA-N 2 2 299.371 -0.752 20 0 CBADLP O=C(c1cnc2n1CC[NH2+]C2)N1CC[NH2+]C2(CC2)C1 ZINC001161556168 815772159 /nfs/dbraw/zinc/77/21/59/815772159.db2.gz IYMIVZDBHQBHHA-UHFFFAOYSA-N 2 2 261.329 -0.436 20 0 CBADLP [NH3+]Cc1cc(NCC[NH+]2CCC([NH3+])CC2)ncn1 ZINC001161867910 815791572 /nfs/dbraw/zinc/79/15/72/815791572.db2.gz WASNPSAURJOXIV-UHFFFAOYSA-N 3 2 250.350 -0.230 20 0 CBADLP CCOC(=O)[C@H]([NH3+])CNc1ccc(N2CC[NH2+]CC2)cn1 ZINC001161949692 815795192 /nfs/dbraw/zinc/79/51/92/815795192.db2.gz FILSCIJYUXBPLZ-GFCCVEGCSA-N 2 2 293.371 -0.207 20 0 CBADLP CCOC(=O)[C@H]([NH3+])CNc1cc2c(nn1)CC[NH2+]C2 ZINC001161951012 815796678 /nfs/dbraw/zinc/79/66/78/815796678.db2.gz ZEVPVZRVLSWMSE-SECBINFHSA-N 2 2 265.317 -0.575 20 0 CBADLP C[N@@H+]1CCO[C@H](CNc2ncnc3c2C[NH2+]CC3)C1 ZINC001162681001 815838735 /nfs/dbraw/zinc/83/87/35/815838735.db2.gz UIHXCXTXNIWCOK-SNVBAGLBSA-N 2 2 263.345 -0.135 20 0 CBADLP C[N@H+]1CCO[C@H](CNc2ncnc3c2C[NH2+]CC3)C1 ZINC001162681001 815838743 /nfs/dbraw/zinc/83/87/43/815838743.db2.gz UIHXCXTXNIWCOK-SNVBAGLBSA-N 2 2 263.345 -0.135 20 0 CBADLP C[N@@H+]1CCO[C@@H](CNc2nccnc2N2CC[NH2+]CC2)C1 ZINC001162680592 815839699 /nfs/dbraw/zinc/83/96/99/815839699.db2.gz MNCMECXSLPVPMB-LBPRGKRZSA-N 2 2 292.387 -0.371 20 0 CBADLP C[N@H+]1CCO[C@@H](CNc2nccnc2N2CC[NH2+]CC2)C1 ZINC001162680592 815839705 /nfs/dbraw/zinc/83/97/05/815839705.db2.gz MNCMECXSLPVPMB-LBPRGKRZSA-N 2 2 292.387 -0.371 20 0 CBADLP C[N@@H+]1CCO[C@H](CNc2cnc(O[C@H]3CC[NH2+]C3)nc2)C1 ZINC001162689113 815840432 /nfs/dbraw/zinc/84/04/32/815840432.db2.gz ZLZVIQYEMDRIQX-QWHCGFSZSA-N 2 2 293.371 -0.040 20 0 CBADLP C[N@H+]1CCO[C@H](CNc2cnc(O[C@H]3CC[NH2+]C3)nc2)C1 ZINC001162689113 815840440 /nfs/dbraw/zinc/84/04/40/815840440.db2.gz ZLZVIQYEMDRIQX-QWHCGFSZSA-N 2 2 293.371 -0.040 20 0 CBADLP COC[C@H](O)C[NH2+]CCCNC(=O)CCc1[nH+]ccn1C ZINC001163044115 815855687 /nfs/dbraw/zinc/85/56/87/815855687.db2.gz JUYMDCJKDAHURJ-GFCCVEGCSA-N 2 2 298.387 -0.544 20 0 CBADLP CCN(C)c1cc(N[C@@]23CC[NH2+][C@@H]2CC(=O)N3)nc[nH+]1 ZINC001163237411 815868701 /nfs/dbraw/zinc/86/87/01/815868701.db2.gz KYGPVXVVOBCAOA-NOZJJQNGSA-N 2 2 276.344 -0.077 20 0 CBADLP Nc1cn2ccc(N[C@@]34CC[NH2+][C@@H]3CC(=O)N4)cc2[nH+]1 ZINC001163251999 815874208 /nfs/dbraw/zinc/87/42/08/815874208.db2.gz SOBJEOMZZVINPA-NOZJJQNGSA-N 2 2 272.312 -0.094 20 0 CBADLP O=C(CCn1cc[nH+]c1)NCCC[NH2+][C@H]1CCCNC1=O ZINC001163593993 815890348 /nfs/dbraw/zinc/89/03/48/815890348.db2.gz QCHFCUIGSYHPCM-LBPRGKRZSA-N 2 2 293.371 -0.352 20 0 CBADLP C[C@@H]([NH2+]CCCNC(=O)CCn1cc[nH+]c1)C(N)=O ZINC001163593300 815890484 /nfs/dbraw/zinc/89/04/84/815890484.db2.gz GRRUQUCHJNABTP-SNVBAGLBSA-N 2 2 267.333 -0.757 20 0 CBADLP C[C@H](O)C[NH2+]CCCNC(=O)CCn1cc[nH+]c1 ZINC001163594450 815890573 /nfs/dbraw/zinc/89/05/73/815890573.db2.gz YXTGVZBUJRFLJJ-NSHDSACASA-N 2 2 254.334 -0.250 20 0 CBADLP COC[C@H](O)C[NH2+]CCCNC(=O)CCn1cc[nH+]c1 ZINC001163593080 815891279 /nfs/dbraw/zinc/89/12/79/815891279.db2.gz DEJCQAVHBOMUFZ-GFCCVEGCSA-N 2 2 284.360 -0.624 20 0 CBADLP CC[NH+](CC)CC(=O)NCCNC(=O)Cn1cc[nH+]c1 ZINC001292778067 816484380 /nfs/dbraw/zinc/48/43/80/816484380.db2.gz BYBZGSZKOQRZFN-UHFFFAOYSA-N 2 2 281.360 -0.543 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CC([NH2+][C@H]2CCOC2)C1 ZINC001304086184 816778655 /nfs/dbraw/zinc/77/86/55/816778655.db2.gz WTFJBJOKINEDRC-JTQLQIEISA-N 2 2 264.329 -0.448 20 0 CBADLP C[C@@H](C(N)=O)[N@H+](CCCNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001316926744 816901723 /nfs/dbraw/zinc/90/17/23/816901723.db2.gz FIGLBXWMAGHDNL-NSHDSACASA-N 2 2 293.371 -0.272 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+](CCCNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001316926744 816901726 /nfs/dbraw/zinc/90/17/26/816901726.db2.gz FIGLBXWMAGHDNL-NSHDSACASA-N 2 2 293.371 -0.272 20 0 CBADLP C[C@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)[NH2+]CCCO ZINC001317257138 816952319 /nfs/dbraw/zinc/95/23/19/816952319.db2.gz SGXPAVNHODBWCZ-NEPJUHHUSA-N 2 2 280.372 -0.078 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]([NH2+]CCOCCO)C1 ZINC001317308946 816962759 /nfs/dbraw/zinc/96/27/59/816962759.db2.gz ZQQJPMXPNSHLIA-LBPRGKRZSA-N 2 2 296.371 -0.540 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](C[NH2+]CCO)C1 ZINC001317344893 816967259 /nfs/dbraw/zinc/96/72/59/816967259.db2.gz ZEISBEWCZRSRPI-NSHDSACASA-N 2 2 266.345 -0.309 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)NC[C@H]1CC[N@@H+](CCO)C1 ZINC001317520090 817002681 /nfs/dbraw/zinc/00/26/81/817002681.db2.gz JERRYJXDKABZKA-LLVKDONJSA-N 2 2 266.345 -0.227 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)NC[C@H]1CC[N@H+](CCO)C1 ZINC001317520090 817002689 /nfs/dbraw/zinc/00/26/89/817002689.db2.gz JERRYJXDKABZKA-LLVKDONJSA-N 2 2 266.345 -0.227 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)NC[C@H]1CC[N@@H+](CCO)C1 ZINC001317520090 817002698 /nfs/dbraw/zinc/00/26/98/817002698.db2.gz JERRYJXDKABZKA-LLVKDONJSA-N 2 2 266.345 -0.227 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)NC[C@H]1CC[N@H+](CCO)C1 ZINC001317520090 817002704 /nfs/dbraw/zinc/00/27/04/817002704.db2.gz JERRYJXDKABZKA-LLVKDONJSA-N 2 2 266.345 -0.227 20 0 CBADLP C[C@@H](O)C[N@H+](CCNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001317560413 817010587 /nfs/dbraw/zinc/01/05/87/817010587.db2.gz LQLWAHKZTSYDEJ-LLVKDONJSA-N 2 2 266.345 -0.156 20 0 CBADLP C[C@@H](O)C[N@@H+](CCNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001317560413 817010595 /nfs/dbraw/zinc/01/05/95/817010595.db2.gz LQLWAHKZTSYDEJ-LLVKDONJSA-N 2 2 266.345 -0.156 20 0 CBADLP CC(C)[C@H](C(=O)NC1C[NH+](C[C@@H](C)O)C1)[NH+](C)C ZINC001318060063 817069901 /nfs/dbraw/zinc/06/99/01/817069901.db2.gz BPHWSUWBVUFIKH-ZYHUDNBSSA-N 2 2 257.378 -0.246 20 0 CBADLP COCCOCC[NH+]1CC(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001318077749 817073164 /nfs/dbraw/zinc/07/31/64/817073164.db2.gz KFJCVKWXJSKWGT-ZDUSSCGKSA-N 2 2 299.415 -0.208 20 0 CBADLP COCCOCC[NH+]1CC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001318077749 817073171 /nfs/dbraw/zinc/07/31/71/817073171.db2.gz KFJCVKWXJSKWGT-ZDUSSCGKSA-N 2 2 299.415 -0.208 20 0 CBADLP CN(C)C(=O)C[NH+]1CC(CNC(=O)CCCC[NH+](C)C)C1 ZINC001318169455 817083122 /nfs/dbraw/zinc/08/31/22/817083122.db2.gz RCKOVLXQWMXZJS-UHFFFAOYSA-N 2 2 298.431 -0.146 20 0 CBADLP O=C(CCn1cc[nH+]c1)N[C@H]1CC[N@@H+](CCCO)C1 ZINC001318266037 817091287 /nfs/dbraw/zinc/09/12/87/817091287.db2.gz LSKPOSFKSCXOAY-LBPRGKRZSA-N 2 2 266.345 -0.154 20 0 CBADLP O=C(CCn1cc[nH+]c1)N[C@H]1CC[N@H+](CCCO)C1 ZINC001318266037 817091290 /nfs/dbraw/zinc/09/12/90/817091290.db2.gz LSKPOSFKSCXOAY-LBPRGKRZSA-N 2 2 266.345 -0.154 20 0 CBADLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)C[NH2+]CCO ZINC001319270876 817183202 /nfs/dbraw/zinc/18/32/02/817183202.db2.gz SXTSBVPALUIOSW-SNVBAGLBSA-N 2 2 254.334 -0.703 20 0 CBADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)C[NH2+]C[C@H](C)O ZINC001319270879 817183653 /nfs/dbraw/zinc/18/36/53/817183653.db2.gz SYJOWPWRTSBXBL-QWRGUYRKSA-N 2 2 268.361 -0.315 20 0 CBADLP C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)Cn1cc[nH+]c1)C(N)=O ZINC001319591994 817223591 /nfs/dbraw/zinc/22/35/91/817223591.db2.gz GBKXXFIQLXRBNN-VHSXEESVSA-N 2 2 267.333 -0.807 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC001320144340 817282254 /nfs/dbraw/zinc/28/22/54/817282254.db2.gz BCOYHFRHSHTXKU-JHJVBQTASA-N 2 2 268.405 -0.182 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC001320144340 817282262 /nfs/dbraw/zinc/28/22/62/817282262.db2.gz BCOYHFRHSHTXKU-JHJVBQTASA-N 2 2 268.405 -0.182 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)NC[C@@H](O)C[NH2+]CCF ZINC001320304039 817319937 /nfs/dbraw/zinc/31/99/37/817319937.db2.gz OFJRLTLODYPIKJ-NSHDSACASA-N 2 2 272.324 -0.611 20 0 CBADLP NC(=O)C[NH2+]C/C=C/CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001321126586 817444684 /nfs/dbraw/zinc/44/46/84/817444684.db2.gz OHTWWFTWNOFCRG-GXFZAYBSSA-N 2 2 291.355 -0.807 20 0 CBADLP NC(=O)C[NH2+]C/C=C\CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001321126584 817445271 /nfs/dbraw/zinc/44/52/71/817445271.db2.gz OHTWWFTWNOFCRG-BVBSBALXSA-N 2 2 291.355 -0.807 20 0 CBADLP C[C@H](CC(=O)NC/C=C/C[NH2+]CC(N)=O)n1cc[nH+]c1 ZINC001321269859 817471670 /nfs/dbraw/zinc/47/16/70/817471670.db2.gz FJGBMKPNNOGMEA-KXMPLOMGSA-N 2 2 279.344 -0.419 20 0 CBADLP COCC[NH2+]C/C=C\CNC(=O)Cc1c[nH+]cn1C ZINC001321339342 817484420 /nfs/dbraw/zinc/48/44/20/817484420.db2.gz UQUCJPNIYDRXAB-ARJAWSKDSA-N 2 2 266.345 -0.129 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC/C=C\C[NH2+][C@@H]1CCNC1=O ZINC001321340083 817485992 /nfs/dbraw/zinc/48/59/92/817485992.db2.gz XUSOWKZQHYOAHV-ZZKXABKFSA-N 2 2 291.355 -0.887 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC/C=C\C[NH2+]CC(N)=O ZINC001321353343 817487636 /nfs/dbraw/zinc/48/76/36/817487636.db2.gz QFPMPTYMTMFPHY-IHWYPQMZSA-N 2 2 265.317 -0.992 20 0 CBADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CCOC[C@@](C)(O)C1 ZINC001253390958 825912848 /nfs/dbraw/zinc/91/28/48/825912848.db2.gz ZZGNRQUVJRHHJQ-YPMHNXCESA-N 2 2 260.378 -0.181 20 0 CBADLP COC(=O)[C@@H]1C[C@H](Nc2ccc3c(n2)OCC[NH2+]C3)C[NH2+]1 ZINC001164302409 819906474 /nfs/dbraw/zinc/90/64/74/819906474.db2.gz TXDNHUDZPJBEGS-QWRGUYRKSA-N 2 2 292.339 -0.121 20 0 CBADLP FC1(F)C[NH2+]CCN(c2cncc(N3CC[NH2+]CC3)n2)C1 ZINC001164493014 819916572 /nfs/dbraw/zinc/91/65/72/819916572.db2.gz KRUYZBXQHOIYDZ-UHFFFAOYSA-N 2 2 298.341 -0.069 20 0 CBADLP C[NH+]1CCN(c2cccc(N3CCO[C@@H](C[NH3+])C3)[nH+]2)CC1 ZINC001165117910 819940015 /nfs/dbraw/zinc/94/00/15/819940015.db2.gz DRGOVVJHCZRKKD-ZDUSSCGKSA-N 3 2 291.399 -0.003 20 0 CBADLP CC(C)[C@H](C(=O)NCCC[NH2+]Cc1nnn(C)n1)[NH+](C)C ZINC001166004329 819988965 /nfs/dbraw/zinc/98/89/65/819988965.db2.gz LNJMZWRZVUJCDA-GFCCVEGCSA-N 2 2 297.407 -0.608 20 0 CBADLP C[C@H]([NH2+]CCCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21)C(N)=O ZINC001166403479 820000390 /nfs/dbraw/zinc/00/03/90/820000390.db2.gz YWYRZCDKRIUKLC-VHSXEESVSA-N 2 2 293.371 -0.201 20 0 CBADLP Cc1nc(N2CC[NH2+][C@@H](C(N)=O)C2)cc(N2CCCC2)[nH+]1 ZINC001166723507 820021940 /nfs/dbraw/zinc/02/19/40/820021940.db2.gz GBRWJWYOLSTSML-LLVKDONJSA-N 2 2 290.371 -0.351 20 0 CBADLP Cc1nc(N2CC[NH2+][C@H](C(N)=O)C2)cc(N2CCCC2)[nH+]1 ZINC001166723508 820022391 /nfs/dbraw/zinc/02/23/91/820022391.db2.gz GBRWJWYOLSTSML-NSHDSACASA-N 2 2 290.371 -0.351 20 0 CBADLP CN(C)C(=O)C[NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001167346079 820080514 /nfs/dbraw/zinc/08/05/14/820080514.db2.gz GUSBJVMSNDIBJV-UHFFFAOYSA-N 2 2 267.333 -0.864 20 0 CBADLP CNC(=O)C[NH2+]CC1(CCNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001167331355 820081152 /nfs/dbraw/zinc/08/11/52/820081152.db2.gz HBFZIJLRTBCLNS-UHFFFAOYSA-N 2 2 293.371 -0.426 20 0 CBADLP CCCNC(=O)C[NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001167345866 820081624 /nfs/dbraw/zinc/08/16/24/820081624.db2.gz BBMMWUCZQBIHTH-UHFFFAOYSA-N 2 2 281.360 -0.426 20 0 CBADLP CCN1CC[C@H]([NH2+]CCCNC(=O)Cc2c[nH]c[nH+]2)C1=O ZINC001167346157 820081674 /nfs/dbraw/zinc/08/16/74/820081674.db2.gz JOVILGGPHUREPQ-LBPRGKRZSA-N 2 2 293.371 -0.331 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NCCC[NH2+]CC(=O)N1CCCC1 ZINC001167349927 820082219 /nfs/dbraw/zinc/08/22/19/820082219.db2.gz LUMSNGLFJWVWJE-UHFFFAOYSA-N 2 2 293.371 -0.330 20 0 CBADLP Cn1ccnc1C[NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001167352715 820083220 /nfs/dbraw/zinc/08/32/20/820083220.db2.gz JYQPBZGGIJTWQN-UHFFFAOYSA-N 2 2 276.344 -0.018 20 0 CBADLP Cn1nncc1C[NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001167355427 820085084 /nfs/dbraw/zinc/08/50/84/820085084.db2.gz GZMRIARHZPCWNT-UHFFFAOYSA-N 2 2 277.332 -0.623 20 0 CBADLP C[C@H](CC(=O)NCCC[NH2+][C@@H](C)C(N)=O)n1cc[nH+]c1 ZINC001167428714 820089725 /nfs/dbraw/zinc/08/97/25/820089725.db2.gz MJSLSOQZRBYVBG-MNOVXSKESA-N 2 2 281.360 -0.196 20 0 CBADLP Cc1cc(N2CCOCC2)[nH+]cc1-n1nnc(CC[NH3+])n1 ZINC001167791456 820118737 /nfs/dbraw/zinc/11/87/37/820118737.db2.gz ZMYGJSQWVVQKOK-UHFFFAOYSA-N 2 2 289.343 -0.296 20 0 CBADLP Cc1[nH+]ccn1CC[N@@H+]1CCn2c(CO)nnc2C1 ZINC001167943176 820135034 /nfs/dbraw/zinc/13/50/34/820135034.db2.gz OMSJCAWLXVJMDJ-UHFFFAOYSA-N 2 2 262.317 -0.209 20 0 CBADLP Cc1[nH+]ccn1CC[N@H+]1CCn2c(CO)nnc2C1 ZINC001167943176 820135037 /nfs/dbraw/zinc/13/50/37/820135037.db2.gz OMSJCAWLXVJMDJ-UHFFFAOYSA-N 2 2 262.317 -0.209 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCC[NH2+]CC(=O)N(C)C ZINC001167977018 820136494 /nfs/dbraw/zinc/13/64/94/820136494.db2.gz FPARUIKPIUTVDY-LLVKDONJSA-N 2 2 295.387 -0.228 20 0 CBADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCC[NH2+]CC(=O)N(C)C ZINC001167977018 820136499 /nfs/dbraw/zinc/13/64/99/820136499.db2.gz FPARUIKPIUTVDY-LLVKDONJSA-N 2 2 295.387 -0.228 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCC[NH2+][C@H](C)C(N)=O ZINC001167978347 820137395 /nfs/dbraw/zinc/13/73/95/820137395.db2.gz MMJAJEWXAFIXSR-NXEZZACHSA-N 2 2 281.360 -0.442 20 0 CBADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCC[NH2+][C@H](C)C(N)=O ZINC001167978347 820137397 /nfs/dbraw/zinc/13/73/97/820137397.db2.gz MMJAJEWXAFIXSR-NXEZZACHSA-N 2 2 281.360 -0.442 20 0 CBADLP NC(=O)CNC(=O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167982024 820138983 /nfs/dbraw/zinc/13/89/83/820138983.db2.gz TZHHZSIZZVCLGV-YHWZYXNKSA-N 2 2 294.399 -0.417 20 0 CBADLP NC(=O)CNC(=O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167982024 820138988 /nfs/dbraw/zinc/13/89/88/820138988.db2.gz TZHHZSIZZVCLGV-YHWZYXNKSA-N 2 2 294.399 -0.417 20 0 CBADLP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)C(=O)NCC(N)=O ZINC001168364818 820159436 /nfs/dbraw/zinc/15/94/36/820159436.db2.gz IEPUSKGUDCWLET-JTQLQIEISA-N 2 2 282.388 -0.560 20 0 CBADLP C[NH+]1CCN(C(=[NH2+])Nc2cnc(C(N)=O)nc2)CC1 ZINC001168736468 820169006 /nfs/dbraw/zinc/16/90/06/820169006.db2.gz HLGWTNJHUGBJHN-UHFFFAOYSA-N 2 2 263.305 -0.830 20 0 CBADLP C[NH+]1CCN(C(=[NH2+])Nc2ccc3c(=O)[nH]cc-3[nH]2)CC1 ZINC001168735331 820170093 /nfs/dbraw/zinc/17/00/93/820170093.db2.gz OPTFYHLIJJKFLX-UHFFFAOYSA-N 2 2 274.328 -0.081 20 0 CBADLP C[NH+]1CCN(C(=[NH2+])Nc2nccn3ncnc23)CC1 ZINC001168740893 820172246 /nfs/dbraw/zinc/17/22/46/820172246.db2.gz QWYGDKDBJULULJ-UHFFFAOYSA-N 2 2 260.305 -0.282 20 0 CBADLP C[N@@H+]1CCc2ncnc(-n3[nH]c(=O)nc3C[NH3+])c2C1 ZINC001168760339 820178336 /nfs/dbraw/zinc/17/83/36/820178336.db2.gz HHSWSYNZHPDFCI-UHFFFAOYSA-N 2 2 261.289 -0.791 20 0 CBADLP C[N@H+]1CCc2ncnc(-n3[nH]c(=O)nc3C[NH3+])c2C1 ZINC001168760339 820178341 /nfs/dbraw/zinc/17/83/41/820178341.db2.gz HHSWSYNZHPDFCI-UHFFFAOYSA-N 2 2 261.289 -0.791 20 0 CBADLP CN(C)C(=O)c1cccnc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169066776 820203431 /nfs/dbraw/zinc/20/34/31/820203431.db2.gz JDBJIFXEBHOCEC-SNVBAGLBSA-N 2 2 289.339 -0.169 20 0 CBADLP Cc1nc(Cl)nc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001169067696 820203650 /nfs/dbraw/zinc/20/36/50/820203650.db2.gz WEOACMFUXMZALV-SSDOTTSWSA-N 2 2 268.708 -0.119 20 0 CBADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ncc2c(n1)C[NH2+]CC2 ZINC001169067394 820203683 /nfs/dbraw/zinc/20/36/83/820203683.db2.gz RVVXGGYPEWQXDA-SNVBAGLBSA-N 3 2 274.328 -0.830 20 0 CBADLP CNC(=O)c1ccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nc1 ZINC001169066803 820203819 /nfs/dbraw/zinc/20/38/19/820203819.db2.gz KJHRLBSSESNMRO-SNVBAGLBSA-N 2 2 275.312 -0.511 20 0 CBADLP COCc1nccnc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169067082 820203843 /nfs/dbraw/zinc/20/38/43/820203843.db2.gz ODBUHYFBCKSXCQ-SECBINFHSA-N 2 2 263.301 -0.329 20 0 CBADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ncnc2c1CC(=O)N2 ZINC001169067832 820203922 /nfs/dbraw/zinc/20/39/22/820203922.db2.gz ZHUYKSKUCACYTM-SSDOTTSWSA-N 2 2 274.284 -0.981 20 0 CBADLP CCOC(=O)c1ccnnc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169071790 820205184 /nfs/dbraw/zinc/20/51/84/820205184.db2.gz LEVMKQPIRHOYMO-SECBINFHSA-N 2 2 291.311 -0.299 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](Nc2nccc(C3C[NH2+]C3)n2)C[NH2+]1 ZINC001169129671 820211044 /nfs/dbraw/zinc/21/10/44/820211044.db2.gz CIKISPUGCCRZJV-KOLCDFICSA-N 2 2 277.328 -0.521 20 0 CBADLP C[NH2+]Cc1cc(N[C@H]2C[NH2+][C@H](C(=O)OC)C2)ncn1 ZINC001169128996 820211423 /nfs/dbraw/zinc/21/14/23/820211423.db2.gz BIAUUMNQHRXRBH-ZJUUUORDSA-N 2 2 265.317 -0.489 20 0 CBADLP Cn1cc(C[NH2+]CCCNC(=O)Cc2[nH]cc[nH+]2)cn1 ZINC001169205179 820213644 /nfs/dbraw/zinc/21/36/44/820213644.db2.gz UIVWDCSIZGUMJX-UHFFFAOYSA-N 2 2 276.344 -0.018 20 0 CBADLP CCN(CC)C(=O)C[NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001169204461 820214168 /nfs/dbraw/zinc/21/41/68/820214168.db2.gz KLYMSLDLTRPJKP-UHFFFAOYSA-N 2 2 295.387 -0.084 20 0 CBADLP Cn1ccnc1C[NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001169203912 820214418 /nfs/dbraw/zinc/21/44/18/820214418.db2.gz DSDJINJOESWUGQ-UHFFFAOYSA-N 2 2 276.344 -0.018 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NCCC[NH2+]CCn1cncn1 ZINC001169211582 820214839 /nfs/dbraw/zinc/21/48/39/820214839.db2.gz GQCXQSUYCGDCNR-UHFFFAOYSA-N 2 2 277.332 -0.660 20 0 CBADLP Cn1nccc1C[NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001169204471 820214956 /nfs/dbraw/zinc/21/49/56/820214956.db2.gz LBRPXGHOBXHMHE-UHFFFAOYSA-N 2 2 276.344 -0.018 20 0 CBADLP CCOC(=O)[C@@H]1CC[C@@H](NC(=[NH2+])N2CC[NH+](C)CC2)CO1 ZINC001169333779 820239681 /nfs/dbraw/zinc/23/96/81/820239681.db2.gz JVDQQOZPLOWSIB-NEPJUHHUSA-N 2 2 298.387 -0.131 20 0 CBADLP C[NH+]1CC(CNc2[nH+]cnc3[nH]cc(C(N)=O)c32)C1 ZINC001170253941 820281747 /nfs/dbraw/zinc/28/17/47/820281747.db2.gz SRYQTFHLIKAKKZ-UHFFFAOYSA-N 2 2 260.301 -0.018 20 0 CBADLP C[C@@H](Nc1[nH+]cnc2[nH]cc(C(N)=O)c21)[C@@H]1C[NH2+]CCO1 ZINC001170568239 820308669 /nfs/dbraw/zinc/30/86/69/820308669.db2.gz HTSZZWFKNOETLF-APPZFPTMSA-N 2 2 290.327 -0.154 20 0 CBADLP CN1CCOc2c1cn[nH+]c2N[C@H]1C[NH2+]C[C@@H]1CO ZINC001170775499 820319494 /nfs/dbraw/zinc/31/94/94/820319494.db2.gz NBKMLOIRUFDCIL-BDAKNGLRSA-N 2 2 265.317 -0.703 20 0 CBADLP CCCNC(=O)C[NH2+]CCCNC(=O)Cc1c[nH+]cn1C ZINC001171236766 820353322 /nfs/dbraw/zinc/35/33/22/820353322.db2.gz BGUIKAXBAMSRPO-UHFFFAOYSA-N 2 2 295.387 -0.415 20 0 CBADLP CC[C@@H]([NH2+]CCCNC(=O)Cc1c[nH+]cn1C)C(N)=O ZINC001171244497 820354054 /nfs/dbraw/zinc/35/40/54/820354054.db2.gz PAFQJTHCVMLXQV-LLVKDONJSA-N 2 2 281.360 -0.678 20 0 CBADLP C[C@@H]([NH2+]CCCNC(=O)Cc1c[nH+]cn1C)C(=O)N(C)C ZINC001171244473 820354639 /nfs/dbraw/zinc/35/46/39/820354639.db2.gz ONULPDBJEUDSGW-LLVKDONJSA-N 2 2 295.387 -0.465 20 0 CBADLP Cc1nonc1C[NH2+]CCCNC(=O)Cc1c[nH+]cn1C ZINC001171236826 820355147 /nfs/dbraw/zinc/35/51/47/820355147.db2.gz DTYNUYUFXVZMDD-UHFFFAOYSA-N 2 2 292.343 -0.050 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NCCC[NH2+]CCn1cccn1 ZINC001171238988 820355365 /nfs/dbraw/zinc/35/53/65/820355365.db2.gz WEFHTUGJAPKDPB-UHFFFAOYSA-N 2 2 290.371 -0.045 20 0 CBADLP C[NH+]1C(C)(C)CC([NH2+]CC(=O)NCC(N)=O)CC1(C)C ZINC001171629677 820366250 /nfs/dbraw/zinc/36/62/50/820366250.db2.gz BUZITWYBPUWLCY-UHFFFAOYSA-N 2 2 284.404 -0.171 20 0 CBADLP C[NH+]1CCN(C(=[NH2+])N[C@@H]2CCN(C3CC3)C(=O)C2)CC1 ZINC001172001507 820373888 /nfs/dbraw/zinc/37/38/88/820373888.db2.gz FETJDOMLQMUVBE-LLVKDONJSA-N 2 2 279.388 -0.088 20 0 CBADLP CCN1CC[C@@H](NC(=[NH2+])N2CC[NH+](C)CC2)CC1=O ZINC001172024836 820378757 /nfs/dbraw/zinc/37/87/57/820378757.db2.gz DCFFQCCMLNTQPO-LLVKDONJSA-N 2 2 267.377 -0.231 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCCC[NH2+]CCOCCO ZINC001174683947 820415899 /nfs/dbraw/zinc/41/58/99/820415899.db2.gz WYFVWBBMMNKIDK-UHFFFAOYSA-N 2 2 284.360 -0.635 20 0 CBADLP CN(C)C(=O)C[NH2+]CCCNC(=O)CCc1c[nH+]cn1C ZINC001175003561 820419866 /nfs/dbraw/zinc/41/98/66/820419866.db2.gz UACMBNLCLMEEKF-UHFFFAOYSA-N 2 2 295.387 -0.463 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)NCCC[NH2+]CCCO ZINC001175011360 820420770 /nfs/dbraw/zinc/42/07/70/820420770.db2.gz BRKHJPFZJDJGKE-UHFFFAOYSA-N 2 2 268.361 -0.169 20 0 CBADLP COCC[NH2+]CCCNC(=O)[C@H](C1CC1)[NH+]1CCOCC1 ZINC001176675382 820456531 /nfs/dbraw/zinc/45/65/31/820456531.db2.gz IIEXLZQSTPIPMT-AWEZNQCLSA-N 2 2 299.415 -0.161 20 0 CBADLP Cn1cnnc1C[NH2+]CCCNC(=O)Cn1cc[nH+]c1 ZINC001177400963 820511403 /nfs/dbraw/zinc/51/14/03/820511403.db2.gz OTMHQVNIKUMBJK-UHFFFAOYSA-N 2 2 277.332 -0.692 20 0 CBADLP CC(C)N(C)C(=O)C[NH2+]CCCNC(=O)Cn1cc[nH+]c1 ZINC001177401503 820511946 /nfs/dbraw/zinc/51/19/46/820511946.db2.gz URPKEOBECDABOM-UHFFFAOYSA-N 2 2 295.387 -0.154 20 0 CBADLP CN1CC[C@@H]([NH2+]CCCNC(=O)Cn2cc[nH+]c2)C1=O ZINC001177411275 820512653 /nfs/dbraw/zinc/51/26/53/820512653.db2.gz AWXJYBCGVBKKIU-LLVKDONJSA-N 2 2 279.344 -0.790 20 0 CBADLP O=C(Cn1cc[nH+]c1)NCCC[NH2+][C@H]1CCCNC1=O ZINC001177405956 820512772 /nfs/dbraw/zinc/51/27/72/820512772.db2.gz SYHYQZROEFUQBA-NSHDSACASA-N 2 2 279.344 -0.742 20 0 CBADLP CCn1cc(C[NH2+]CCCNC(=O)Cn2cc[nH+]c2)nn1 ZINC001177406366 820513145 /nfs/dbraw/zinc/51/31/45/820513145.db2.gz WDELRTJYGZFKCC-UHFFFAOYSA-N 2 2 291.359 -0.209 20 0 CBADLP Cn1ccnc1C[NH2+]CCCNC(=O)Cn1cc[nH+]c1 ZINC001177411372 820513737 /nfs/dbraw/zinc/51/37/37/820513737.db2.gz NBSKDENFWCIYGW-UHFFFAOYSA-N 2 2 276.344 -0.087 20 0 CBADLP C[C@H](C(=O)N(CCCC[NH3+])C(N)=[NH2+])n1cc[nH+]c1 ZINC001177927493 820549116 /nfs/dbraw/zinc/54/91/16/820549116.db2.gz SXRNTBKYNOAOBC-SECBINFHSA-N 3 2 252.322 -0.095 20 0 CBADLP N=c1ncc(C[NH3+])cn1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001178121993 820565376 /nfs/dbraw/zinc/56/53/76/820565376.db2.gz OQSLHHCILFCIMH-JTQLQIEISA-N 2 2 272.312 -0.079 20 0 CBADLP C[C@H]1[C@@H]([NH2+]CCCO)CCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001178417845 820580695 /nfs/dbraw/zinc/58/06/95/820580695.db2.gz GITPYXLTLLRMLU-AVGNSLFASA-N 2 2 285.388 -0.722 20 0 CBADLP C[C@H]1[C@@H]([NH2+]CCCO)CCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001178417845 820580701 /nfs/dbraw/zinc/58/07/01/820580701.db2.gz GITPYXLTLLRMLU-AVGNSLFASA-N 2 2 285.388 -0.722 20 0 CBADLP CCOCC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)[C@H]1C ZINC001178419026 820580820 /nfs/dbraw/zinc/58/08/20/820580820.db2.gz XYBHYALVVJNXQV-MELADBBJSA-N 2 2 299.415 -0.068 20 0 CBADLP CCOCC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)[C@H]1C ZINC001178419026 820580827 /nfs/dbraw/zinc/58/08/27/820580827.db2.gz XYBHYALVVJNXQV-MELADBBJSA-N 2 2 299.415 -0.068 20 0 CBADLP C[N@@H+]1CCCC[C@H]1C(=O)NCC[NH+]1CC2(COC2)C1 ZINC001178702767 820598246 /nfs/dbraw/zinc/59/82/46/820598246.db2.gz YQLVLWMHUDQTQO-LBPRGKRZSA-N 2 2 267.373 -0.081 20 0 CBADLP C[N@H+]1CCCC[C@H]1C(=O)NCC[NH+]1CC2(COC2)C1 ZINC001178702767 820598250 /nfs/dbraw/zinc/59/82/50/820598250.db2.gz YQLVLWMHUDQTQO-LBPRGKRZSA-N 2 2 267.373 -0.081 20 0 CBADLP C[N@H+](C1CN(C(=O)CN2CC[NH+](C)CC2)C1)[C@H]1CCOC1 ZINC001178951924 820608487 /nfs/dbraw/zinc/60/84/87/820608487.db2.gz UFBCMZCCRLPQPS-ZDUSSCGKSA-N 2 2 296.415 -0.835 20 0 CBADLP C[N@@H+](C1CN(C(=O)CN2CC[NH+](C)CC2)C1)[C@H]1CCOC1 ZINC001178951924 820608490 /nfs/dbraw/zinc/60/84/90/820608490.db2.gz UFBCMZCCRLPQPS-ZDUSSCGKSA-N 2 2 296.415 -0.835 20 0 CBADLP C[C@H]1[C@@H]([NH2+]CCOCCO)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001179617478 820636275 /nfs/dbraw/zinc/63/62/75/820636275.db2.gz IIFWDYXPDIVNJP-AAEUAGOBSA-N 2 2 296.371 -0.460 20 0 CBADLP C[NH+]1CCC[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@@H]21 ZINC001180760575 820717705 /nfs/dbraw/zinc/71/77/05/820717705.db2.gz WVFPZHXWJWQCIK-AGIUHOORSA-N 2 2 267.373 -0.130 20 0 CBADLP C[NH+]1CCC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@@H]21 ZINC001180760575 820717707 /nfs/dbraw/zinc/71/77/07/820717707.db2.gz WVFPZHXWJWQCIK-AGIUHOORSA-N 2 2 267.373 -0.130 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N2C[C@H]3CCC[N@H+](C)[C@H]3C2)C1 ZINC001180760575 820717710 /nfs/dbraw/zinc/71/77/10/820717710.db2.gz WVFPZHXWJWQCIK-AGIUHOORSA-N 2 2 267.373 -0.130 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N2C[C@H]3CCC[N@@H+](C)[C@H]3C2)C1 ZINC001180760575 820717711 /nfs/dbraw/zinc/71/77/11/820717711.db2.gz WVFPZHXWJWQCIK-AGIUHOORSA-N 2 2 267.373 -0.130 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)n2ccc([C@@H]3CCC[NH2+]3)nc2=N)C1 ZINC001180759592 820718493 /nfs/dbraw/zinc/71/84/93/820718493.db2.gz QGDIRSJQDNTNEW-CMPLNLGQSA-N 2 2 291.355 -0.242 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)n2ccc([C@@H]3CCC[NH2+]3)nc2=N)C1 ZINC001180759592 820718498 /nfs/dbraw/zinc/71/84/98/820718498.db2.gz QGDIRSJQDNTNEW-CMPLNLGQSA-N 2 2 291.355 -0.242 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)Nc2cccnc2C[NH3+])C1 ZINC001180763657 820722974 /nfs/dbraw/zinc/72/29/74/820722974.db2.gz KSDPBZJFELTJTI-LLVKDONJSA-N 2 2 250.302 -0.191 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)Nc2cccnc2C[NH3+])C1 ZINC001180763657 820722976 /nfs/dbraw/zinc/72/29/76/820722976.db2.gz KSDPBZJFELTJTI-LLVKDONJSA-N 2 2 250.302 -0.191 20 0 CBADLP O=C(N[C@@H](CO)Cc1c[nH]c[nH+]1)[C@H]1C[NH+]2CCC1CC2 ZINC001182017418 820850347 /nfs/dbraw/zinc/85/03/47/820850347.db2.gz KVIDQRPCPSCSPM-OLZOCXBDSA-N 2 2 278.356 -0.229 20 0 CBADLP O=C(N[C@@H](CO)Cc1c[nH+]c[nH]1)[C@H]1C[NH+]2CCC1CC2 ZINC001182017418 820850357 /nfs/dbraw/zinc/85/03/57/820850357.db2.gz KVIDQRPCPSCSPM-OLZOCXBDSA-N 2 2 278.356 -0.229 20 0 CBADLP CC(C)[N@@H+]1CC[C@H]1C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC001182861779 820951560 /nfs/dbraw/zinc/95/15/60/820951560.db2.gz JMAILLYPSGPPRM-RYUDHWBXSA-N 2 2 255.362 -0.084 20 0 CBADLP CC(C)[N@H+]1CC[C@H]1C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC001182861779 820951566 /nfs/dbraw/zinc/95/15/66/820951566.db2.gz JMAILLYPSGPPRM-RYUDHWBXSA-N 2 2 255.362 -0.084 20 0 CBADLP CC(C)[NH+]1CC[C@H]1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC001182861779 820951571 /nfs/dbraw/zinc/95/15/71/820951571.db2.gz JMAILLYPSGPPRM-RYUDHWBXSA-N 2 2 255.362 -0.084 20 0 CBADLP CC(C)[NH+]1CC[C@H]1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC001182861779 820951578 /nfs/dbraw/zinc/95/15/78/820951578.db2.gz JMAILLYPSGPPRM-RYUDHWBXSA-N 2 2 255.362 -0.084 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001183116117 820974994 /nfs/dbraw/zinc/97/49/94/820974994.db2.gz NRXRJGNHYRFVEV-ZYHUDNBSSA-N 2 2 293.371 -0.333 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001183116117 820975000 /nfs/dbraw/zinc/97/50/00/820975000.db2.gz NRXRJGNHYRFVEV-ZYHUDNBSSA-N 2 2 293.371 -0.333 20 0 CBADLP COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001183376180 820992546 /nfs/dbraw/zinc/99/25/46/820992546.db2.gz WJIJLJVNASZKLR-GRYCIOLGSA-N 2 2 283.372 -0.358 20 0 CBADLP COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001183376180 820992552 /nfs/dbraw/zinc/99/25/52/820992552.db2.gz WJIJLJVNASZKLR-GRYCIOLGSA-N 2 2 283.372 -0.358 20 0 CBADLP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001183403860 820993377 /nfs/dbraw/zinc/99/33/77/820993377.db2.gz ZPBIKNWLEFJIAF-GMTAPVOTSA-N 2 2 291.355 -0.550 20 0 CBADLP Nc1ccc(CCC(=O)NCC[NH2+]CCO)c[nH+]1 ZINC001183936025 821040755 /nfs/dbraw/zinc/04/07/55/821040755.db2.gz PRORJDGOTZETPD-UHFFFAOYSA-N 2 2 252.318 -0.706 20 0 CBADLP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001184492265 821078358 /nfs/dbraw/zinc/07/83/58/821078358.db2.gz PFJBRJKBXVAGLA-LLVKDONJSA-N 2 2 293.371 -0.711 20 0 CBADLP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@@H]1C[NH2+]CC(N)=O ZINC001185202624 821104202 /nfs/dbraw/zinc/10/42/02/821104202.db2.gz AULJNNLEOQDTAK-WDEREUQCSA-N 2 2 293.371 -0.488 20 0 CBADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@H]1C[NH2+]CC(N)=O ZINC001185202622 821104459 /nfs/dbraw/zinc/10/44/59/821104459.db2.gz AULJNNLEOQDTAK-MNOVXSKESA-N 2 2 293.371 -0.488 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@H]2C[N@H+](C)CCN2C)CC1 ZINC001185243087 821106762 /nfs/dbraw/zinc/10/67/62/821106762.db2.gz BIBHZHKACIXUKM-CYBMUJFWSA-N 2 2 284.404 -0.977 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC001185243087 821106766 /nfs/dbraw/zinc/10/67/66/821106766.db2.gz BIBHZHKACIXUKM-CYBMUJFWSA-N 2 2 284.404 -0.977 20 0 CBADLP Cc1cc(N(C(N)=[NH2+])C(=O)[C@@H]2C[N@@H+](C)CCN2C)n[nH]1 ZINC001185269436 821122081 /nfs/dbraw/zinc/12/20/81/821122081.db2.gz MSCRQYJIAWDVQS-VIFPVBQESA-N 2 2 279.348 -0.810 20 0 CBADLP Cc1cc(N(C(N)=[NH2+])C(=O)[C@@H]2C[N@H+](C)CCN2C)n[nH]1 ZINC001185269436 821122083 /nfs/dbraw/zinc/12/20/83/821122083.db2.gz MSCRQYJIAWDVQS-VIFPVBQESA-N 2 2 279.348 -0.810 20 0 CBADLP [NH3+]CCN(C(=O)C[N@@H+]1CC[C@@H](O)C1)c1cccnc1 ZINC001186054898 821163260 /nfs/dbraw/zinc/16/32/60/821163260.db2.gz JAGWQPGMGPJQJJ-GFCCVEGCSA-N 2 2 264.329 -0.560 20 0 CBADLP [NH3+]CCN(C(=O)C[N@H+]1CC[C@@H](O)C1)c1cccnc1 ZINC001186054898 821163267 /nfs/dbraw/zinc/16/32/67/821163267.db2.gz JAGWQPGMGPJQJJ-GFCCVEGCSA-N 2 2 264.329 -0.560 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001186575853 821188944 /nfs/dbraw/zinc/18/89/44/821188944.db2.gz GCDDZGCXNJPSLZ-NXEZZACHSA-N 2 2 279.344 -0.723 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N2CCCC[C@@H]2C[NH2+]CCCO)C1 ZINC001280437397 828352933 /nfs/dbraw/zinc/35/29/33/828352933.db2.gz XXLTYXQTYHRPIF-ZIAGYGMSSA-N 2 2 299.415 -0.330 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N2CCCC[C@@H]2C[NH2+]CCCO)C1 ZINC001280437397 828352938 /nfs/dbraw/zinc/35/29/38/828352938.db2.gz XXLTYXQTYHRPIF-ZIAGYGMSSA-N 2 2 299.415 -0.330 20 0 CBADLP COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001187420945 822277588 /nfs/dbraw/zinc/27/75/88/822277588.db2.gz UFSAPAIDHXDXCN-NEPJUHHUSA-N 2 2 296.371 -0.542 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H]([NH2+]CCOCCO)C1 ZINC001188369114 822333687 /nfs/dbraw/zinc/33/36/87/822333687.db2.gz RGKVJWIHQOBTNL-GFCCVEGCSA-N 2 2 282.344 -0.918 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@H](C[NH2+]CCO)C1 ZINC001283092460 828495679 /nfs/dbraw/zinc/49/56/79/828495679.db2.gz PAVIYKWSEGZONA-MGCOHNPYSA-N 2 2 252.318 -0.571 20 0 CBADLP O=C(NC[C@H](CO)[NH2+]CCCF)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001283765906 828545253 /nfs/dbraw/zinc/54/52/53/828545253.db2.gz XDNXCXPOTRJQPB-GMTAPVOTSA-N 2 2 284.335 -0.061 20 0 CBADLP O=C(NC[C@H](CO)[NH2+]CCCF)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001283765906 828545259 /nfs/dbraw/zinc/54/52/59/828545259.db2.gz XDNXCXPOTRJQPB-GMTAPVOTSA-N 2 2 284.335 -0.061 20 0 CBADLP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@H+](CC(=O)NC)C[C@H]21 ZINC001189471658 823757882 /nfs/dbraw/zinc/75/78/82/823757882.db2.gz XLJNLYJGTXXRPJ-QWHCGFSZSA-N 2 2 296.415 -0.393 20 0 CBADLP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC)C[C@H]21 ZINC001189471658 823757884 /nfs/dbraw/zinc/75/78/84/823757884.db2.gz XLJNLYJGTXXRPJ-QWHCGFSZSA-N 2 2 296.415 -0.393 20 0 CBADLP COC[C@H](O)C[N@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001192551780 823976121 /nfs/dbraw/zinc/97/61/21/823976121.db2.gz SNOQHBCUYBKQHP-QWHCGFSZSA-N 2 2 296.371 -0.508 20 0 CBADLP COC[C@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001192551780 823976131 /nfs/dbraw/zinc/97/61/31/823976131.db2.gz SNOQHBCUYBKQHP-QWHCGFSZSA-N 2 2 296.371 -0.508 20 0 CBADLP CNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001194026715 824056022 /nfs/dbraw/zinc/05/60/22/824056022.db2.gz JLZFVYRKXAPUAB-LBPRGKRZSA-N 2 2 293.371 -0.530 20 0 CBADLP CNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001194026715 824056028 /nfs/dbraw/zinc/05/60/28/824056028.db2.gz JLZFVYRKXAPUAB-LBPRGKRZSA-N 2 2 293.371 -0.530 20 0 CBADLP CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001194729324 824087334 /nfs/dbraw/zinc/08/73/34/824087334.db2.gz SNEYZJMPAQVGNR-CHWSQXEVSA-N 2 2 296.371 -0.611 20 0 CBADLP CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001194729324 824087337 /nfs/dbraw/zinc/08/73/37/824087337.db2.gz SNEYZJMPAQVGNR-CHWSQXEVSA-N 2 2 296.371 -0.611 20 0 CBADLP CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001194886366 824094562 /nfs/dbraw/zinc/09/45/62/824094562.db2.gz HNKSBYTUMTUSCP-VXGBXAGGSA-N 2 2 280.372 -0.076 20 0 CBADLP Cc1nocc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195851328 824133772 /nfs/dbraw/zinc/13/37/72/824133772.db2.gz WBOMTUDMLRBYQX-CHWSQXEVSA-N 2 2 296.371 -0.404 20 0 CBADLP Cc1nocc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195851328 824133777 /nfs/dbraw/zinc/13/37/77/824133777.db2.gz WBOMTUDMLRBYQX-CHWSQXEVSA-N 2 2 296.371 -0.404 20 0 CBADLP Cn1nccc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195850561 824134297 /nfs/dbraw/zinc/13/42/97/824134297.db2.gz LEKPPIQNHIESDK-CHWSQXEVSA-N 2 2 295.387 -0.967 20 0 CBADLP Cn1nccc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195850561 824134303 /nfs/dbraw/zinc/13/43/03/824134303.db2.gz LEKPPIQNHIESDK-CHWSQXEVSA-N 2 2 295.387 -0.967 20 0 CBADLP CNC(=O)C[N@@H+]1CCCN(C(=O)CC[NH+](C)C)CC1 ZINC001197029516 824175865 /nfs/dbraw/zinc/17/58/65/824175865.db2.gz UEUHXLVKSHCDMW-UHFFFAOYSA-N 2 2 270.377 -0.782 20 0 CBADLP CNC(=O)C[N@H+]1CCCN(C(=O)CC[NH+](C)C)CC1 ZINC001197029516 824175868 /nfs/dbraw/zinc/17/58/68/824175868.db2.gz UEUHXLVKSHCDMW-UHFFFAOYSA-N 2 2 270.377 -0.782 20 0 CBADLP Cn1nncc1C[N@@H+]1CCCN(C(=O)CC[NH+](C)C)CC1 ZINC001197043574 824177036 /nfs/dbraw/zinc/17/70/36/824177036.db2.gz ILEZQYTXAVEAAS-UHFFFAOYSA-N 2 2 294.403 -0.199 20 0 CBADLP Cn1nncc1C[N@H+]1CCCN(C(=O)CC[NH+](C)C)CC1 ZINC001197043574 824177040 /nfs/dbraw/zinc/17/70/40/824177040.db2.gz ILEZQYTXAVEAAS-UHFFFAOYSA-N 2 2 294.403 -0.199 20 0 CBADLP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](CCF)C[C@H]1O ZINC001197949607 824210800 /nfs/dbraw/zinc/21/08/00/824210800.db2.gz SWLLCAPGVIRYAF-VXGBXAGGSA-N 2 2 275.368 -0.151 20 0 CBADLP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1O ZINC001197949607 824210805 /nfs/dbraw/zinc/21/08/05/824210805.db2.gz SWLLCAPGVIRYAF-VXGBXAGGSA-N 2 2 275.368 -0.151 20 0 CBADLP CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001198150323 824220295 /nfs/dbraw/zinc/22/02/95/824220295.db2.gz ASOCWPGNNIHLLI-CHWSQXEVSA-N 2 2 296.371 -0.542 20 0 CBADLP CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001198150323 824220300 /nfs/dbraw/zinc/22/03/00/824220300.db2.gz ASOCWPGNNIHLLI-CHWSQXEVSA-N 2 2 296.371 -0.542 20 0 CBADLP C[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001199397996 824265750 /nfs/dbraw/zinc/26/57/50/824265750.db2.gz HDKHNQIBSZTWCS-JHJVBQTASA-N 2 2 296.371 -0.795 20 0 CBADLP C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001199397996 824265758 /nfs/dbraw/zinc/26/57/58/824265758.db2.gz HDKHNQIBSZTWCS-JHJVBQTASA-N 2 2 296.371 -0.795 20 0 CBADLP CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001199415528 824268056 /nfs/dbraw/zinc/26/80/56/824268056.db2.gz SYLCZAHRRLMGNF-VXGBXAGGSA-N 2 2 282.344 -0.919 20 0 CBADLP CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001199415528 824268059 /nfs/dbraw/zinc/26/80/59/824268059.db2.gz SYLCZAHRRLMGNF-VXGBXAGGSA-N 2 2 282.344 -0.919 20 0 CBADLP CNC(=O)C[NH2+]C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001200290811 824313912 /nfs/dbraw/zinc/31/39/12/824313912.db2.gz DVMOUXRJORHEMG-UHFFFAOYSA-N 2 2 293.371 -0.331 20 0 CBADLP O=C(CCc1[nH]cc[nH+]1)N1CCCO[C@@H](C[NH2+]CCO)C1 ZINC001200367617 824317262 /nfs/dbraw/zinc/31/72/62/824317262.db2.gz QTCXBMHBALPNPS-LBPRGKRZSA-N 2 2 296.371 -0.458 20 0 CBADLP C[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCCO1 ZINC001201483793 824333041 /nfs/dbraw/zinc/33/30/41/824333041.db2.gz OWQBKLAOJWPYBS-DGCLKSJQSA-N 2 2 296.371 -0.460 20 0 CBADLP C[C@H](O)C[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCCO1 ZINC001201483791 824333354 /nfs/dbraw/zinc/33/33/54/824333354.db2.gz OWQBKLAOJWPYBS-AAEUAGOBSA-N 2 2 296.371 -0.460 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CCCO[C@H](C[NH2+]CCO)C1 ZINC001201856070 824336876 /nfs/dbraw/zinc/33/68/76/824336876.db2.gz IDAJSUCBAMZTAF-CYBMUJFWSA-N 2 2 296.371 -0.838 20 0 CBADLP CN(C)C(=O)C[NH2+]C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001202667865 824350602 /nfs/dbraw/zinc/35/06/02/824350602.db2.gz OMMXTCQHYKCYMN-UHFFFAOYSA-N 2 2 293.371 -0.379 20 0 CBADLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](C[C@H]2CCC(=O)N2)C1 ZINC001202902372 824354516 /nfs/dbraw/zinc/35/45/16/824354516.db2.gz HXMTUMJVBGNJDT-VXGBXAGGSA-N 2 2 282.388 -0.593 20 0 CBADLP [NH3+]C[C@@]1(O)CCC[N@H+](Cc2cn3c(n2)C[NH2+]CC3)CC1 ZINC001205219200 824376398 /nfs/dbraw/zinc/37/63/98/824376398.db2.gz AEPRYGGSAAKPTQ-CQSZACIVSA-N 3 2 279.388 -0.338 20 0 CBADLP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2cn3c(n2)C[NH2+]CC3)CC1 ZINC001205219200 824376400 /nfs/dbraw/zinc/37/64/00/824376400.db2.gz AEPRYGGSAAKPTQ-CQSZACIVSA-N 3 2 279.388 -0.338 20 0 CBADLP [NH3+]C[C@]1(O)CCCC[N@H+](Cc2ccc(=O)[nH]n2)C1 ZINC001205689712 824381273 /nfs/dbraw/zinc/38/12/73/824381273.db2.gz QSJWWXQLHNALKK-GFCCVEGCSA-N 2 2 252.318 -0.142 20 0 CBADLP [NH3+]C[C@]1(O)CCCC[N@@H+](Cc2ccc(=O)[nH]n2)C1 ZINC001205689712 824381276 /nfs/dbraw/zinc/38/12/76/824381276.db2.gz QSJWWXQLHNALKK-GFCCVEGCSA-N 2 2 252.318 -0.142 20 0 CBADLP Cn1cc(C[N@@H+]2CCCC[C@@](F)(C[NH3+])C2)c(=O)n(C)c1=O ZINC001206362194 824398043 /nfs/dbraw/zinc/39/80/43/824398043.db2.gz NABGWEBFWSRRLV-CQSZACIVSA-N 2 2 298.362 -0.263 20 0 CBADLP Cn1cc(C[N@H+]2CCCC[C@@](F)(C[NH3+])C2)c(=O)n(C)c1=O ZINC001206362194 824398049 /nfs/dbraw/zinc/39/80/49/824398049.db2.gz NABGWEBFWSRRLV-CQSZACIVSA-N 2 2 298.362 -0.263 20 0 CBADLP COC(=O)c1cc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)ccc1O ZINC001206525412 824401577 /nfs/dbraw/zinc/40/15/77/824401577.db2.gz PSKBUDDMOBRMPC-GWCFXTLKSA-N 2 2 280.324 -0.070 20 0 CBADLP COC(=O)c1cc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)ccc1O ZINC001206525412 824401579 /nfs/dbraw/zinc/40/15/79/824401579.db2.gz PSKBUDDMOBRMPC-GWCFXTLKSA-N 2 2 280.324 -0.070 20 0 CBADLP COC(C[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C)C1)OC ZINC001207255572 824424179 /nfs/dbraw/zinc/42/41/79/824424179.db2.gz NSAGXQLGTXMANP-LLVKDONJSA-N 2 2 273.377 -0.253 20 0 CBADLP COC(C[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C)C1)OC ZINC001207255572 824424182 /nfs/dbraw/zinc/42/41/82/824424182.db2.gz NSAGXQLGTXMANP-LLVKDONJSA-N 2 2 273.377 -0.253 20 0 CBADLP COC[C@@H](O)C[NH2+][C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001209838014 824476330 /nfs/dbraw/zinc/47/63/30/824476330.db2.gz VMRQAZHRUBZVAP-AAEUAGOBSA-N 2 2 296.371 -0.460 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@@H]([NH2+]CCCO)C1 ZINC001209838041 824476489 /nfs/dbraw/zinc/47/64/89/824476489.db2.gz VXDINSJBBUHPIH-LLVKDONJSA-N 2 2 266.345 -0.085 20 0 CBADLP CNC(=O)C[NH2+][C@@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001210667557 824480565 /nfs/dbraw/zinc/48/05/65/824480565.db2.gz HAKCRULNIYGXGS-LLVKDONJSA-N 2 2 293.371 -0.711 20 0 CBADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH2+]CCOCCO ZINC001216065991 824545007 /nfs/dbraw/zinc/54/50/07/824545007.db2.gz WPBWZIFUZXUOIH-VXGBXAGGSA-N 2 2 296.371 -0.602 20 0 CBADLP O=C(Nc1cccc2[nH+]ccn21)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001218498206 824570890 /nfs/dbraw/zinc/57/08/90/824570890.db2.gz DFMPXNMWONNUDK-JTQLQIEISA-N 2 2 287.323 -0.397 20 0 CBADLP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)Nc1cccc2[nH+]ccn21 ZINC001218499557 824571282 /nfs/dbraw/zinc/57/12/82/824571282.db2.gz XOZPBIQXBFPFTK-IUCAKERBSA-N 2 2 291.311 -0.903 20 0 CBADLP Cc1cc(C[C@@H](C)NC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)on1 ZINC001218501822 824572348 /nfs/dbraw/zinc/57/23/48/824572348.db2.gz VDWDLPCIFAPFAN-RFUOJGKKSA-N 2 2 278.356 -0.020 20 0 CBADLP COc1nn(C)cc1NC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001218505206 824573351 /nfs/dbraw/zinc/57/33/51/824573351.db2.gz PJFCJPSXJNNTHG-VIFPVBQESA-N 2 2 278.316 -0.329 20 0 CBADLP C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3COC[NH2+]3)nc2)CC1 ZINC001218516242 824578479 /nfs/dbraw/zinc/57/84/79/824578479.db2.gz WCGMBEUGIWCTNJ-LBPRGKRZSA-N 2 2 291.355 -0.282 20 0 CBADLP Cn1ncc2c1ncnc2NC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001218557482 824590218 /nfs/dbraw/zinc/59/02/18/824590218.db2.gz UESATVUWCSSGGB-UHFFFAOYSA-N 2 2 289.343 -0.357 20 0 CBADLP Cc1nonc1NC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001218561989 824591471 /nfs/dbraw/zinc/59/14/71/824591471.db2.gz NEALGCHJCLBQRQ-QMMMGPOBSA-N 2 2 250.262 -0.380 20 0 CBADLP Cc1nc(NC(=O)C[NH2+]C2CC[NH2+]CC2)cc(=O)[nH]1 ZINC001218564982 824592860 /nfs/dbraw/zinc/59/28/60/824592860.db2.gz OGOPIEVKFNLSQQ-UHFFFAOYSA-N 2 2 265.317 -0.229 20 0 CBADLP CCCN=c1c(N)c(Cl)ncn1C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001218571661 824595602 /nfs/dbraw/zinc/59/56/02/824595602.db2.gz IRRBVEJGOLCJSN-SFYZADRCSA-N 2 2 298.778 -0.241 20 0 CBADLP CCOC(=O)c1ccncc1NC(=O)[C@@H]([NH3+])CC[NH3+] ZINC001218572529 824595927 /nfs/dbraw/zinc/59/59/27/824595927.db2.gz WGLXXCNQXZCDMQ-VIFPVBQESA-N 2 2 266.301 -0.127 20 0 CBADLP CCOC(=O)c1ccncc1NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001218571650 824595953 /nfs/dbraw/zinc/59/59/53/824595953.db2.gz IGVHAUTUFLOFIF-UWVGGRQHSA-N 2 2 278.312 -0.257 20 0 CBADLP CCOC(=O)c1ccncc1NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001218571358 824596118 /nfs/dbraw/zinc/59/61/18/824596118.db2.gz FTZLWRDOGPMIKU-SCZZXKLOSA-N 2 2 278.312 -0.114 20 0 CBADLP Cn1nc(Br)cc1NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001218582892 824598710 /nfs/dbraw/zinc/59/87/10/824598710.db2.gz KNOXFWHEGZRZQH-WDSKDSINSA-N 2 2 288.149 -0.332 20 0 CBADLP NC(=O)NCCC[C@@H]([NH3+])C(=O)Nc1cc[nH+]c2c1CCC2 ZINC001218620031 824605150 /nfs/dbraw/zinc/60/51/50/824605150.db2.gz HTMCXDCNESWIAC-SNVBAGLBSA-N 2 2 291.355 -0.294 20 0 CBADLP CN(C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C)c1nccnc1N ZINC001218623952 824607700 /nfs/dbraw/zinc/60/77/00/824607700.db2.gz USIHOGAAPMXYGE-VIFPVBQESA-N 2 2 275.316 -0.675 20 0 CBADLP COC(=O)c1scnc1NC(=O)[C@@H]([NH3+])CC[NH3+] ZINC001218623230 824607746 /nfs/dbraw/zinc/60/77/46/824607746.db2.gz CZWTUPXRALBUOH-YFKPBYRVSA-N 2 2 258.303 -0.456 20 0 CBADLP Nc1cn(C(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)nc1N ZINC001218627394 824609432 /nfs/dbraw/zinc/60/94/32/824609432.db2.gz TXNVUPRIUOUYIA-VIFPVBQESA-N 2 2 260.301 -0.306 20 0 CBADLP CCOC(=O)c1cc(NC(=O)[C@@H]([NH3+])CC[NH3+])n(C)n1 ZINC001218636668 824611517 /nfs/dbraw/zinc/61/15/17/824611517.db2.gz CXKMIOSXKTUZMQ-ZETCQYMHSA-N 2 2 269.305 -0.789 20 0 CBADLP Cc1nc(Cl)c(N)c(=N)n1C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001218641973 824612732 /nfs/dbraw/zinc/61/27/32/824612732.db2.gz LJZUZTUUDUZEBO-QHMRUWFYSA-N 2 2 296.762 -0.231 20 0 CBADLP Nc1ncc(Cl)nc1NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001218653245 824617229 /nfs/dbraw/zinc/61/72/29/824617229.db2.gz VUWMUVXFUSOJJF-LURJTMIESA-N 2 2 281.707 -0.056 20 0 CBADLP Nc1cnc(Cl)c(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)n1 ZINC001218671401 824619248 /nfs/dbraw/zinc/61/92/48/824619248.db2.gz JUVBBUOYITXVLY-LURJTMIESA-N 2 2 281.707 -0.056 20 0 CBADLP O=Nc1c(=O)[nH]c(=O)[nH]c1NC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001218670250 824619775 /nfs/dbraw/zinc/61/97/75/824619775.db2.gz BUXFMTLWQJHMDD-UHFFFAOYSA-N 2 2 296.287 -0.434 20 0 CBADLP Cc1c(NC(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)ncn1C ZINC001218693502 824622018 /nfs/dbraw/zinc/62/20/18/824622018.db2.gz PVNSGVOWQUTIQK-JTQLQIEISA-N 2 2 262.317 -0.029 20 0 CBADLP CN(C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])c1nc(Cl)ccc1N ZINC001218682227 824622732 /nfs/dbraw/zinc/62/27/32/824622732.db2.gz NDRZTGZHHPECON-XPUUQOCRSA-N 2 2 269.736 -0.173 20 0 CBADLP CCOC(=O)c1nc(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)cn1C ZINC001218706341 824626160 /nfs/dbraw/zinc/62/61/60/824626160.db2.gz ACCWLTHKEBGWQU-SFYZADRCSA-N 2 2 281.316 -0.776 20 0 CBADLP Cc1cc(=O)c(N)c(C)n1C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001218717625 824627628 /nfs/dbraw/zinc/62/76/28/824627628.db2.gz HFSMWSXSFDOQRN-RULNRJAQSA-N 2 2 276.340 -0.091 20 0 CBADLP Cc1cc(=O)c(N)c(C)n1C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001218718198 824627716 /nfs/dbraw/zinc/62/77/16/824627716.db2.gz NWHMYUNDAKAJEP-NSHDSACASA-N 2 2 289.339 -0.009 20 0 CBADLP O=C(Nc1cc([C@H]2CCC[NH2+]2)no1)[C@@H]1COC[NH2+]1 ZINC001218712471 824628076 /nfs/dbraw/zinc/62/80/76/824628076.db2.gz YUENNNAXCHRICT-APPZFPTMSA-N 2 2 252.274 -0.017 20 0 CBADLP Nc1cnc(N(CC(F)(F)F)C(=O)[C@@H]([NH3+])CC[NH3+])nc1 ZINC001218741126 824630154 /nfs/dbraw/zinc/63/01/54/824630154.db2.gz SLYJANUMCUDLMX-ZETCQYMHSA-N 2 2 292.265 -0.370 20 0 CBADLP CCN=c1ccc(N)cn1C(=O)C1([NH3+])CC[NH2+]CC1 ZINC001218741612 824630223 /nfs/dbraw/zinc/63/02/23/824630223.db2.gz PJRGMRCXCWSCAX-UHFFFAOYSA-N 2 2 263.345 -0.288 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cc(Cl)nc2ccnn21 ZINC001218744739 824633256 /nfs/dbraw/zinc/63/32/56/824633256.db2.gz BHCOYCYMPKBNCD-BQBZGAKWSA-N 2 2 280.719 -0.132 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2cc3n(n2)CC(F)(F)CO3)C1 ZINC001218752327 824634794 /nfs/dbraw/zinc/63/47/94/824634794.db2.gz SVDLIKZCKBBRRF-RQJHMYQMSA-N 2 2 287.270 -0.462 20 0 CBADLP CNC(=O)c1cccnc1NC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001218765384 824636002 /nfs/dbraw/zinc/63/60/02/824636002.db2.gz XCNCIINQABAALQ-UHFFFAOYSA-N 2 2 291.355 -0.279 20 0 CBADLP CNC(=O)c1cccnc1NC(=O)[C@@H]([NH3+])CC[NH3+] ZINC001218765132 824636104 /nfs/dbraw/zinc/63/61/04/824636104.db2.gz UNULNDGDZGOFOG-QMMMGPOBSA-N 2 2 251.290 -0.944 20 0 CBADLP CCOC(=O)c1nc(NC(=O)C2([NH3+])CC[NH2+]CC2)c[nH]1 ZINC001218764485 824636248 /nfs/dbraw/zinc/63/62/48/824636248.db2.gz LUHVNHPSILGJMP-UHFFFAOYSA-N 2 2 281.316 -0.394 20 0 CBADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ncccc1CCO ZINC001218790757 824639192 /nfs/dbraw/zinc/63/91/92/824639192.db2.gz RZIKIUXIUYBKAA-LLVKDONJSA-N 2 2 275.312 -0.152 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1c[nH]ccc1=O ZINC001218796120 824639895 /nfs/dbraw/zinc/63/98/95/824639895.db2.gz RPJLBMDJHPZLOZ-VIFPVBQESA-N 2 2 261.285 -0.383 20 0 CBADLP Nc1cccc(NC(=O)[C@H](N)C[NH+]2CCC([NH3+])CC2)c1 ZINC001218826047 824642660 /nfs/dbraw/zinc/64/26/60/824642660.db2.gz ZZHJCUXIPQRMLL-CYBMUJFWSA-N 2 2 277.372 -0.042 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc2c(c1)OCC(=O)N2 ZINC001218850436 824643030 /nfs/dbraw/zinc/64/30/30/824643030.db2.gz MCCSOQPAWSSBRZ-IUCAKERBSA-N 2 2 276.296 -0.497 20 0 CBADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1ccc(N2CCNC(=O)C2)cc1 ZINC001218872665 824644506 /nfs/dbraw/zinc/64/45/06/824644506.db2.gz BEPDXUVWLZTNCQ-LBPRGKRZSA-N 2 2 291.355 -0.763 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc2[nH][nH]c(=O)c2c1 ZINC001218879098 824645687 /nfs/dbraw/zinc/64/56/87/824645687.db2.gz NCQGLJORZYLXMR-IUCAKERBSA-N 2 2 261.285 -0.246 20 0 CBADLP CN(C)C(=O)Cc1ccccc1NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001218955125 824650038 /nfs/dbraw/zinc/65/00/38/824650038.db2.gz XVOJZPRVNNYJSS-RYUDHWBXSA-N 2 2 290.367 -0.198 20 0 CBADLP NC(=O)Cc1cccc(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)c1 ZINC001218954304 824650264 /nfs/dbraw/zinc/65/02/64/824650264.db2.gz JPKAYJHIOSGHDF-JMSVASOKSA-N 2 2 288.351 -0.125 20 0 CBADLP COC(=O)c1c(O)cccc1NC(=O)[C@@H]([NH3+])CC[NH3+] ZINC001218987014 824651574 /nfs/dbraw/zinc/65/15/74/824651574.db2.gz AKZGLRLEWJKXCZ-ZETCQYMHSA-N 2 2 267.285 -0.207 20 0 CBADLP CN1c2ccc(NC(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])cc2CC1=O ZINC001219020587 824652958 /nfs/dbraw/zinc/65/29/58/824652958.db2.gz FMFSOVVIGJIXKE-QWRGUYRKSA-N 2 2 274.324 -0.309 20 0 CBADLP COc1ccc(CO)c(NC(=O)[C@@H]([NH3+])CC[NH3+])c1 ZINC001219074447 824653858 /nfs/dbraw/zinc/65/38/58/824653858.db2.gz KKFRVUAWQFCDQB-JTQLQIEISA-N 2 2 253.302 -0.198 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2cccc3c(=O)[nH][nH]c(=O)c23)C1 ZINC001219178398 824672178 /nfs/dbraw/zinc/67/21/78/824672178.db2.gz WALMMKAMCSMTNV-MUWHJKNJSA-N 2 2 289.295 -0.331 20 0 CBADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1cccc2c1CC(=O)NC2 ZINC001219369703 824698383 /nfs/dbraw/zinc/69/83/83/824698383.db2.gz MDRBSSSEAUBVMY-JTQLQIEISA-N 2 2 262.313 -0.527 20 0 CBADLP Nc1ccc(-c2nc(=O)on2C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])cc1 ZINC001219388688 824702530 /nfs/dbraw/zinc/70/25/30/824702530.db2.gz GBSCFVXABBIMFX-UWVGGRQHSA-N 2 2 289.295 -0.728 20 0 CBADLP NC(=O)c1cc(O)cc(NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)c1 ZINC001219440213 824710627 /nfs/dbraw/zinc/71/06/27/824710627.db2.gz VQCMSGQTJXDAIE-LLVKDONJSA-N 2 2 289.295 -0.277 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2cccc3c2[C@@H]2C[NH2+]C[C@@H]2O3)C1 ZINC001219537884 824722858 /nfs/dbraw/zinc/72/28/58/824722858.db2.gz RBJMCKZSSKHMRQ-PLKZCJTGSA-N 3 2 288.351 -0.238 20 0 CBADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1cccc2c1[C@@H]1C[NH2+]C[C@H]1O2 ZINC001219537301 824723812 /nfs/dbraw/zinc/72/38/12/824723812.db2.gz KVYALGNBGUKSLX-VDDIYKPWSA-N 3 2 276.340 -0.251 20 0 CBADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)Nc2cccc3c2[C@H]2C[NH2+]C[C@@H]2O3)C1 ZINC001219542358 824724636 /nfs/dbraw/zinc/72/46/36/824724636.db2.gz RBJMCKZSSKHMRQ-PZEZNAACSA-N 3 2 288.351 -0.238 20 0 CBADLP O=C(NCc1ccc2c(c1)OCO2)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001219551713 824727742 /nfs/dbraw/zinc/72/77/42/824727742.db2.gz GQCSLIBJAWHPSK-SDDRHHMPSA-N 2 2 289.335 -0.019 20 0 CBADLP CC[NH+](CC)CCNC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001219555771 824729788 /nfs/dbraw/zinc/72/97/88/824729788.db2.gz RPGCJFZTIXYUFH-AAEUAGOBSA-N 3 2 254.378 -0.604 20 0 CBADLP O=C(NCCN1CCCCC1=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001219567338 824733125 /nfs/dbraw/zinc/73/31/25/824733125.db2.gz GQAWWVSZVJIMLF-SMDDNHRTSA-N 2 2 280.372 -0.933 20 0 CBADLP C[C@H]1CC[C@H](NC(=O)[C@@H](CO)n2cc[nH+]c2)C[NH2+]1 ZINC001219583137 824736691 /nfs/dbraw/zinc/73/66/91/824736691.db2.gz POJBRPBCCXDGHL-GARJFASQSA-N 2 2 252.318 -0.327 20 0 CBADLP C[C@H]1CC[C@H](NC(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)C[NH2+]1 ZINC001219582903 824736702 /nfs/dbraw/zinc/73/67/02/824736702.db2.gz NUFQSTOBUNEDHA-MRBYEJRBSA-N 3 2 252.362 -0.805 20 0 CBADLP Cc1cc(C)n(CCNC(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)n1 ZINC001219595980 824739467 /nfs/dbraw/zinc/73/94/67/824739467.db2.gz YOBOABRVWMUZAO-GXTWGEPZSA-N 2 2 277.372 -0.432 20 0 CBADLP Cc1cccn2c(CNC(=O)[C@H]([NH3+])Cc3c[nH+]c[nH]3)nnc12 ZINC001219597741 824741085 /nfs/dbraw/zinc/74/10/85/824741085.db2.gz SVLZQINXHAGJCC-LLVKDONJSA-N 2 2 299.338 -0.053 20 0 CBADLP Cc1cc(CNC(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)no1 ZINC001219604196 824850867 /nfs/dbraw/zinc/85/08/67/824850867.db2.gz KJBMAQFHUUTTRN-SKDRFNHKSA-N 2 2 250.302 -0.449 20 0 CBADLP CN(CC(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F)c1cccc[nH+]1 ZINC001219615805 824854149 /nfs/dbraw/zinc/85/41/49/824854149.db2.gz DVEIWNAOXBLAKN-SMDDNHRTSA-N 2 2 296.346 -0.304 20 0 CBADLP O=C(N[C@@]1(C(F)(F)F)CC[NH2+]C1)C1(F)C[NH2+]C1 ZINC001219610216 824854997 /nfs/dbraw/zinc/85/49/97/824854997.db2.gz LMHACANMYXQUOO-QMMMGPOBSA-N 2 2 255.215 -0.292 20 0 CBADLP O=C(CCc1[nH]cc[nH+]1)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219615854 824857449 /nfs/dbraw/zinc/85/74/49/824857449.db2.gz GOZSXCYAEZQLJY-JOYOIKCWSA-N 2 2 270.308 -0.479 20 0 CBADLP CC(C)C[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001219630317 824865389 /nfs/dbraw/zinc/86/53/89/824865389.db2.gz AIARFYPTVFGAGA-PWSUYJOCSA-N 2 2 268.361 -0.187 20 0 CBADLP Cn1cnc(CCNC(=O)C2([NH3+])CC[NH2+]CC2)c1 ZINC001219634252 824867347 /nfs/dbraw/zinc/86/73/47/824867347.db2.gz QCQUIWOTXKOJEK-UHFFFAOYSA-N 2 2 251.334 -0.840 20 0 CBADLP Cn1c[nH+]c(CCNC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)c1 ZINC001219634528 824868969 /nfs/dbraw/zinc/86/89/69/824868969.db2.gz ZAVNOLMEONZWRD-BXUZGUMPSA-N 3 2 277.372 -0.722 20 0 CBADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 ZINC001219671509 824875849 /nfs/dbraw/zinc/87/58/49/824875849.db2.gz IMTAMXNRDWGGKI-VXGBXAGGSA-N 2 2 297.380 -0.438 20 0 CBADLP C[C@@H]1C[C@@H](CNC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)C[NH2+]1 ZINC001219684489 824878616 /nfs/dbraw/zinc/87/86/16/824878616.db2.gz OKNVPYVTCDYIIB-FXPVBKGRSA-N 3 2 251.334 -0.606 20 0 CBADLP Cc1cc(C)c(CNC(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)c(=O)[nH]1 ZINC001219689408 824879794 /nfs/dbraw/zinc/87/97/94/824879794.db2.gz RREAYNVNULHJSU-NHYWBVRUSA-N 2 2 290.367 -0.028 20 0 CBADLP C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[C@@H](F)CC[NH2+]2)C1 ZINC001219694292 824882179 /nfs/dbraw/zinc/88/21/79/824882179.db2.gz IKIPWTBXUVYGMW-DCAQKATOSA-N 2 2 259.325 -0.477 20 0 CBADLP C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[C@@H](F)CC[NH2+]2)C1 ZINC001219694292 824882184 /nfs/dbraw/zinc/88/21/84/824882184.db2.gz IKIPWTBXUVYGMW-DCAQKATOSA-N 2 2 259.325 -0.477 20 0 CBADLP C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C1 ZINC001219695775 824882343 /nfs/dbraw/zinc/88/23/43/824882343.db2.gz YAVXKSMSMADVPK-STQMWFEESA-N 3 2 296.415 -0.693 20 0 CBADLP C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C1 ZINC001219695775 824882346 /nfs/dbraw/zinc/88/23/46/824882346.db2.gz YAVXKSMSMADVPK-STQMWFEESA-N 3 2 296.415 -0.693 20 0 CBADLP Cn1cccc1CNC(=O)[C@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001219698950 824882916 /nfs/dbraw/zinc/88/29/16/824882916.db2.gz KWDLXNUHOUAYSS-CYBMUJFWSA-N 2 2 279.388 -0.608 20 0 CBADLP Nc1nc(=O)[nH]cc1NC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001219701319 824883067 /nfs/dbraw/zinc/88/30/67/824883067.db2.gz LBVXHHDQLMBCCY-SECBINFHSA-N 2 2 288.311 -0.025 20 0 CBADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@]1(F)CCC[NH2+]C1 ZINC001219767719 824891240 /nfs/dbraw/zinc/89/12/40/824891240.db2.gz CRNLDFCRTKPFNG-ZYHUDNBSSA-N 3 2 269.324 -0.513 20 0 CBADLP O=C(NC[C@]1(F)CCC[NH2+]C1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001219767765 824891345 /nfs/dbraw/zinc/89/13/45/824891345.db2.gz DVNNXXMRSSOCPW-KQXIARHKSA-N 3 2 270.352 -0.856 20 0 CBADLP [NH3+]CC[C@H]([NH3+])C(=O)N[C@H]1C[NH2+]Cc2ccsc21 ZINC001219826461 824900166 /nfs/dbraw/zinc/90/01/66/824900166.db2.gz RLMWZYHCUPWGQI-IUCAKERBSA-N 3 2 254.359 -0.315 20 0 CBADLP O=C(N[C@@H]1c2ccccc2C[C@@H]1O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001219865209 824903966 /nfs/dbraw/zinc/90/39/66/824903966.db2.gz GQGBAGYCUSWQQU-UZMCECQYSA-N 2 2 287.363 -0.288 20 0 CBADLP CC(C)OC(=O)[C@H](C)NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001219880554 824907766 /nfs/dbraw/zinc/90/77/66/824907766.db2.gz DOJNKJLWTOJEMA-WCBMZHEXSA-N 2 2 268.317 -0.264 20 0 CBADLP COC(=O)[C@@H](NC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1)[C@@H](C)O ZINC001219880572 824907832 /nfs/dbraw/zinc/90/78/32/824907832.db2.gz DZOSIPINPWKREZ-ZHAHWJHGSA-N 2 2 295.339 -0.703 20 0 CBADLP COC(=O)[C@H](NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)c1ccc(O)cc1 ZINC001219884725 824909992 /nfs/dbraw/zinc/90/99/92/824909992.db2.gz BPLVHRRJGIVWOV-ADEWGFFLSA-N 2 2 293.323 -0.588 20 0 CBADLP O=C(N[C@H]1SC(=O)NC1=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001219903745 824911933 /nfs/dbraw/zinc/91/19/33/824911933.db2.gz FWCRESKDVKGIAF-XCBNKYQSSA-N 2 2 298.368 -0.714 20 0 CBADLP C[C@H](C[NH+](C)C)NC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001219916021 824913407 /nfs/dbraw/zinc/91/34/07/824913407.db2.gz IEGAWZUCUNLKJK-KOLCDFICSA-N 3 2 253.350 -0.644 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NC[C@@H](O)COc2ccccc2)C1 ZINC001219918785 824915256 /nfs/dbraw/zinc/91/52/56/824915256.db2.gz QXHPTACINPHQHW-WZRBSPASSA-N 2 2 279.340 -0.768 20 0 CBADLP C[NH+](C)CCCCCNC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001219917962 824915636 /nfs/dbraw/zinc/91/56/36/824915636.db2.gz AAHKNNWMYXYATK-TZMCWYRMSA-N 3 2 268.405 -0.214 20 0 CBADLP COC(=O)[C@@H]([NH3+])CCC(=O)NCCn1cc[nH+]c1C ZINC001219934559 824916661 /nfs/dbraw/zinc/91/66/61/824916661.db2.gz HAPWUNGYBUAJMI-JTQLQIEISA-N 2 2 268.317 -0.412 20 0 CBADLP Cc1cc(CNC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)[nH]n1 ZINC001219943441 824918193 /nfs/dbraw/zinc/91/81/93/824918193.db2.gz JBGGSBGQNFTMSR-LLVKDONJSA-N 2 2 251.334 -0.339 20 0 CBADLP Cc1cc(CNC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)n[nH]1 ZINC001219943441 824918202 /nfs/dbraw/zinc/91/82/02/824918202.db2.gz JBGGSBGQNFTMSR-LLVKDONJSA-N 2 2 251.334 -0.339 20 0 CBADLP C[NH+](C)Cc1cccc(CNC(=O)[C@@H]2C[NH2+]C[C@H]2O)c1 ZINC001219943618 824918237 /nfs/dbraw/zinc/91/82/37/824918237.db2.gz QZELLHJONZDOCX-ZIAGYGMSSA-N 2 2 277.368 -0.055 20 0 CBADLP [NH3+]CC[C@H]([NH3+])C(=O)NCCOc1ccccc1F ZINC001219936657 824918645 /nfs/dbraw/zinc/91/86/45/824918645.db2.gz OHBIHJYDFWRJDG-JTQLQIEISA-N 2 2 255.293 -0.003 20 0 CBADLP Cc1cc(CNC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)[nH]n1 ZINC001219943613 824919456 /nfs/dbraw/zinc/91/94/56/824919456.db2.gz QXHNQDLHADINHF-GFCCVEGCSA-N 2 2 280.376 -0.915 20 0 CBADLP Cc1cc(CNC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)n[nH]1 ZINC001219943613 824919458 /nfs/dbraw/zinc/91/94/58/824919458.db2.gz QXHNQDLHADINHF-GFCCVEGCSA-N 2 2 280.376 -0.915 20 0 CBADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)N[C@H]2C=CS(=O)(=O)C2)cc1 ZINC001219945547 824919722 /nfs/dbraw/zinc/91/97/22/824919722.db2.gz MPGRFMYFMJNUFF-RYUDHWBXSA-N 2 2 295.364 -0.314 20 0 CBADLP NC(=O)c1ccc(CNC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)cc1 ZINC001219961191 824922052 /nfs/dbraw/zinc/92/20/52/824922052.db2.gz IUJBMSUANYXMLU-GFCCVEGCSA-N 2 2 287.323 -0.305 20 0 CBADLP CCC[NH+]1CCC(NC(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)CC1 ZINC001219954876 824922642 /nfs/dbraw/zinc/92/26/42/824922642.db2.gz WGSJLOQOLAXPES-SWLSCSKDSA-N 3 2 280.416 -0.072 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H]2CCCC[NH2+]2)C[NH2+]1 ZINC001219965010 824923793 /nfs/dbraw/zinc/92/37/93/824923793.db2.gz AAOJEZBQMRXFFA-UTLUCORTSA-N 2 2 255.318 -0.852 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@H]2C[C@H](C)CC[NH2+]2)C[NH2+]1 ZINC001219965359 824923935 /nfs/dbraw/zinc/92/39/35/824923935.db2.gz KKUSHHQYTFYZDW-DBIOUOCHSA-N 2 2 269.345 -0.606 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@H]2CCC[NH2+][C@@H]2C)C[NH2+]1 ZINC001219965289 824924029 /nfs/dbraw/zinc/92/40/29/824924029.db2.gz HUACBLTUKRAKCL-ZNSHCXBVSA-N 2 2 269.345 -0.606 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H]2C[C@@H](C)CC[NH2+]2)C[NH2+]1 ZINC001219965360 824924342 /nfs/dbraw/zinc/92/43/42/824924342.db2.gz KKUSHHQYTFYZDW-VLEAKVRGSA-N 2 2 269.345 -0.606 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H]([NH3+])CC2CCC2)C[NH2+]1 ZINC001219965448 824924489 /nfs/dbraw/zinc/92/44/89/824924489.db2.gz OBNYHXZVXLGCIZ-VWYCJHECSA-N 2 2 269.345 -0.476 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@](C)([NH3+])CC(C)C)C[NH2+]1 ZINC001219965236 824924796 /nfs/dbraw/zinc/92/47/96/824924796.db2.gz FIUKAGWMLAKMOR-GBIKHYSHSA-N 2 2 271.361 -0.230 20 0 CBADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)NCCn1cccc1 ZINC001219972843 824925604 /nfs/dbraw/zinc/92/56/04/824925604.db2.gz XJZFXMOLVRKCAH-ZDUSSCGKSA-N 2 2 279.388 -0.645 20 0 CBADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)NC[C@@H]1CCCCO1 ZINC001219978117 824927594 /nfs/dbraw/zinc/92/75/94/824927594.db2.gz DBOGGLIMGXCHJD-STQMWFEESA-N 2 2 284.404 -0.578 20 0 CBADLP C[N@@H+]1CCC[C@H](CCNC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)C1 ZINC001219980892 824929048 /nfs/dbraw/zinc/92/90/48/824929048.db2.gz QLQDLDPJCLQDIQ-UTUOFQBUSA-N 3 2 254.378 -0.476 20 0 CBADLP C[N@H+]1CCC[C@H](CCNC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)C1 ZINC001219980892 824929056 /nfs/dbraw/zinc/92/90/56/824929056.db2.gz QLQDLDPJCLQDIQ-UTUOFQBUSA-N 3 2 254.378 -0.476 20 0 CBADLP C[N@@H+]1CCC[C@H](CCNC(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)C1 ZINC001219978966 824929569 /nfs/dbraw/zinc/92/95/69/824929569.db2.gz WWSYWMRMYBHSCV-NFAWXSAZSA-N 3 2 280.416 -0.214 20 0 CBADLP C[N@H+]1CCC[C@H](CCNC(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)C1 ZINC001219978966 824929573 /nfs/dbraw/zinc/92/95/73/824929573.db2.gz WWSYWMRMYBHSCV-NFAWXSAZSA-N 3 2 280.416 -0.214 20 0 CBADLP CC(C)(C)OC[C@H]([NH3+])C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001220103457 824954823 /nfs/dbraw/zinc/95/48/23/824954823.db2.gz RYFWUQLOGOYPLA-VIFPVBQESA-N 3 2 273.381 -0.410 20 0 CBADLP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)NC1C[NH+](C)C1 ZINC001220013459 824933955 /nfs/dbraw/zinc/93/39/55/824933955.db2.gz WNGUMHZVHRDNOX-ONGXEEELSA-N 2 2 270.377 -0.705 20 0 CBADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)NC2(CO)CCOCC2)cc1 ZINC001220018548 824933983 /nfs/dbraw/zinc/93/39/83/824933983.db2.gz HWZPYZAIDGOVKK-ZDUSSCGKSA-N 2 2 293.367 -0.084 20 0 CBADLP COC(=O)c1ccnc(CNC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])c1 ZINC001220037628 824941197 /nfs/dbraw/zinc/94/11/97/824941197.db2.gz HZQGSJJQIJOIKB-QWRGUYRKSA-N 2 2 278.312 -0.969 20 0 CBADLP Cc1ncc(C[NH3+])c(=N)n1C(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001220043384 824941703 /nfs/dbraw/zinc/94/17/03/824941703.db2.gz PGSJYHDILAATLF-UHFFFAOYSA-N 3 2 278.360 -0.889 20 0 CBADLP COc1ncnc(OC)c1CNC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001220045195 824942364 /nfs/dbraw/zinc/94/23/64/824942364.db2.gz PLSCPCUGTCQDNY-UHFFFAOYSA-N 2 2 295.343 -0.809 20 0 CBADLP CCCCOC(=O)[C@H](C)NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220049150 824944238 /nfs/dbraw/zinc/94/42/38/824944238.db2.gz AKLVVPMPDNFRJB-FIQHERPVSA-N 2 2 283.372 -0.216 20 0 CBADLP CCCCOC(=O)[C@H](C)NC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220049194 824944335 /nfs/dbraw/zinc/94/43/35/824944335.db2.gz CEUZQFRFWWSZJR-COPLHBTASA-N 2 2 283.372 -0.214 20 0 CBADLP CCOC(=O)C(F)(F)CNC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220096590 824953847 /nfs/dbraw/zinc/95/38/47/824953847.db2.gz DJPLYMBWANAXDT-XHNCKOQMSA-N 2 2 291.298 -0.749 20 0 CBADLP CCCOCCNC(=O)[C@@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001220101389 824955106 /nfs/dbraw/zinc/95/51/06/824955106.db2.gz LQAZOLMNSPAXLY-LBPRGKRZSA-N 2 2 272.393 -0.720 20 0 CBADLP N=C(NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)SCC[NH3+] ZINC001220106216 824956565 /nfs/dbraw/zinc/95/65/65/824956565.db2.gz FSAGPYJPYXWHKQ-ZETCQYMHSA-N 3 2 256.335 -0.978 20 0 CBADLP [NH3+]C1(C(=O)NC[C@@H](O)c2ccc(O)cc2)CC[NH2+]CC1 ZINC001220113339 824958631 /nfs/dbraw/zinc/95/86/31/824958631.db2.gz QOPKMEUDAWQRQB-GFCCVEGCSA-N 2 2 279.340 -0.377 20 0 CBADLP O=C(NC[C@H](O)c1ccc(O)cc1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220113496 824958732 /nfs/dbraw/zinc/95/87/32/824958732.db2.gz VPFLQTIJLOGVPD-DEQVHRJGSA-N 2 2 291.351 -0.508 20 0 CBADLP Cc1cnc(=O)[nH]c1NC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001220122228 824960082 /nfs/dbraw/zinc/96/00/82/824960082.db2.gz FPQMGVSEWOXRTJ-VIFPVBQESA-N 2 2 276.300 -0.267 20 0 CBADLP O=C(NCc1cccc(F)n1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220125027 824961685 /nfs/dbraw/zinc/96/16/85/824961685.db2.gz VAQOUOQFCHXDIP-ZANVPECISA-N 2 2 264.304 -0.212 20 0 CBADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NCC1(F)CCOCC1 ZINC001220137076 824963618 /nfs/dbraw/zinc/96/36/18/824963618.db2.gz QLAAZBBBUORKPB-SNVBAGLBSA-N 2 2 270.308 -0.086 20 0 CBADLP CCOC(=O)C1=C(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)[C@@H](C)OC1 ZINC001220138666 824964958 /nfs/dbraw/zinc/96/49/58/824964958.db2.gz BVPHOLHIDGLZKL-MRTMQBJTSA-N 2 2 283.328 -0.972 20 0 CBADLP O=C(N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220163383 824974878 /nfs/dbraw/zinc/97/48/78/824974878.db2.gz QFLBUBFJIFHSCU-QKDZRIPBSA-N 3 2 292.427 -0.025 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N[C@H]2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC001220161585 824975383 /nfs/dbraw/zinc/97/53/83/824975383.db2.gz DHKMWSDXOKYIHI-UHXUPSOCSA-N 3 2 266.389 -0.286 20 0 CBADLP Cc1ncc(CNC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)cn1 ZINC001220176298 824977661 /nfs/dbraw/zinc/97/76/61/824977661.db2.gz GCXNSTONLMIMQT-WZRBSPASSA-N 2 2 261.329 -0.377 20 0 CBADLP Cc1ncc(CNC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)cn1 ZINC001220178073 824979147 /nfs/dbraw/zinc/97/91/47/824979147.db2.gz YWSYVQSZJQTHEZ-LLVKDONJSA-N 2 2 260.301 -0.306 20 0 CBADLP [NH3+]CCC[C@H]([NH3+])C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC001220187008 824982944 /nfs/dbraw/zinc/98/29/44/824982944.db2.gz XDEQRGMJMPKXQA-IUCAKERBSA-N 3 2 264.320 -0.586 20 0 CBADLP C[C@H](NC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2)c1cncnc1 ZINC001220183546 824981195 /nfs/dbraw/zinc/98/11/95/824981195.db2.gz SASQBQVWXAVCDS-GAFUQQFSSA-N 2 2 261.329 -0.395 20 0 CBADLP C[C@H](NC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C)c1cncnc1 ZINC001220183301 824981204 /nfs/dbraw/zinc/98/12/04/824981204.db2.gz LDRMUUGGWQNUET-CABZTGNLSA-N 2 2 274.328 -0.043 20 0 CBADLP O=C(NC[C@H]1CC[NH2+]CC1(F)F)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001220185935 824982443 /nfs/dbraw/zinc/98/24/43/824982443.db2.gz KUKHGRIDJDWFDT-ZRUFSTJUSA-N 2 2 288.342 -0.703 20 0 CBADLP O=C(NC[C@H]1CC[NH2+]CC1(F)F)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001220185222 824983168 /nfs/dbraw/zinc/98/31/68/824983168.db2.gz CIUZVPICUBWDBS-VGMNWLOBSA-N 2 2 263.288 -0.930 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NC[C@H]1CC(C)(C)O1 ZINC001220200345 824984024 /nfs/dbraw/zinc/98/40/24/824984024.db2.gz HXJZBMRITAUFDW-MNOVXSKESA-N 2 2 266.345 -0.026 20 0 CBADLP N[C@@]1(C(=O)NCC2([NH+]3CCCC3)COC2)CCC[NH2+]C1 ZINC001220198019 824984486 /nfs/dbraw/zinc/98/44/86/824984486.db2.gz ZYWFZTFYXHJIJK-AWEZNQCLSA-N 2 2 282.388 -0.952 20 0 CBADLP CC1(C)C[C@H](CNC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)O1 ZINC001220200513 824985605 /nfs/dbraw/zinc/98/56/05/824985605.db2.gz MOYFSWFLOYYXHS-PRFIWBCESA-N 2 2 253.346 -0.108 20 0 CBADLP CC1(C)C[C@@H](CNC(=O)[C@@H](N)C[NH+]2CCC([NH3+])CC2)O1 ZINC001220200503 824986399 /nfs/dbraw/zinc/98/63/99/824986399.db2.gz MIRMCMROXSNUTA-RYUDHWBXSA-N 2 2 284.404 -0.580 20 0 CBADLP CC1(C)C[C@@H](CNC(=O)[C@H](N)C[NH+]2CCC([NH3+])CC2)O1 ZINC001220200502 824986579 /nfs/dbraw/zinc/98/65/79/824986579.db2.gz MIRMCMROXSNUTA-NWDGAFQWSA-N 2 2 284.404 -0.580 20 0 CBADLP O=C(NC1(c2cccnn2)CC1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220209744 824988363 /nfs/dbraw/zinc/98/83/63/824988363.db2.gz CJGRSTOJTZYJQV-YGRLFVJLSA-N 2 2 273.340 -0.467 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NCCc1cnccn1 ZINC001220243843 824992740 /nfs/dbraw/zinc/99/27/40/824992740.db2.gz YZZALGVGMNIJIM-LBPRGKRZSA-N 2 2 274.328 -0.561 20 0 CBADLP C[NH+](C)CC(C)(C)CNC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220254710 824996326 /nfs/dbraw/zinc/99/63/26/824996326.db2.gz VBPDPHKJUAZLQT-BXUZGUMPSA-N 3 2 268.405 -0.358 20 0 CBADLP COC(=O)[C@@H]([NH3+])CC(=O)NCC[C@@H]1CCC[N@@H+]1C ZINC001220252189 824996905 /nfs/dbraw/zinc/99/69/05/824996905.db2.gz QTTVACKDHUNTFZ-UWVGGRQHSA-N 2 2 257.334 -0.523 20 0 CBADLP COC(=O)[C@@H]([NH3+])CC(=O)NCC[C@@H]1CCC[N@H+]1C ZINC001220252189 824996908 /nfs/dbraw/zinc/99/69/08/824996908.db2.gz QTTVACKDHUNTFZ-UWVGGRQHSA-N 2 2 257.334 -0.523 20 0 CBADLP O=C(N[C@H]1CCc2n[nH]cc2C1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220260909 824998488 /nfs/dbraw/zinc/99/84/88/824998488.db2.gz KECNENMCPGKWFX-XRRVDJEJSA-N 2 2 275.356 -0.667 20 0 CBADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCn1nnc2ccccc21 ZINC001220272751 825000870 /nfs/dbraw/zinc/00/08/70/825000870.db2.gz LRFQZLDHHYJTQE-NSHDSACASA-N 2 2 299.338 -0.159 20 0 CBADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@@H]1O ZINC001220273916 825002022 /nfs/dbraw/zinc/00/20/22/825002022.db2.gz WWWPFQBADAEXMN-ZSZRGSJWSA-N 2 2 275.780 -0.148 20 0 CBADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@@H]1O ZINC001220273916 825002029 /nfs/dbraw/zinc/00/20/29/825002029.db2.gz WWWPFQBADAEXMN-ZSZRGSJWSA-N 2 2 275.780 -0.148 20 0 CBADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2cncs2)C[C@@H]1O ZINC001220277176 825002585 /nfs/dbraw/zinc/00/25/85/825002585.db2.gz UDWTUVDYTVTSNF-NEPJUHHUSA-N 2 2 298.412 -0.244 20 0 CBADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cncs2)C[C@@H]1O ZINC001220277176 825002592 /nfs/dbraw/zinc/00/25/92/825002592.db2.gz UDWTUVDYTVTSNF-NEPJUHHUSA-N 2 2 298.412 -0.244 20 0 CBADLP O=C(C[C@@H]1CCC[NH2+]C1)N[C@@H](CO)Cc1c[nH]c[nH+]1 ZINC001220290647 825006930 /nfs/dbraw/zinc/00/69/30/825006930.db2.gz BCKWAZKBIWVNSP-CMPLNLGQSA-N 2 2 266.345 -0.181 20 0 CBADLP O=C(C[C@@H]1CCC[NH2+]C1)N[C@@H](CO)Cc1c[nH+]c[nH]1 ZINC001220290647 825006939 /nfs/dbraw/zinc/00/69/39/825006939.db2.gz BCKWAZKBIWVNSP-CMPLNLGQSA-N 2 2 266.345 -0.181 20 0 CBADLP C[C@@]1(C(=O)N[C@@H](CO)Cc2c[nH]c[nH+]2)CC[NH2+]C1 ZINC001220290984 825008406 /nfs/dbraw/zinc/00/84/06/825008406.db2.gz JGTHLVWPLCEERV-ZYHUDNBSSA-N 2 2 252.318 -0.571 20 0 CBADLP C[C@@]1(C(=O)N[C@@H](CO)Cc2c[nH+]c[nH]2)CC[NH2+]C1 ZINC001220290984 825008409 /nfs/dbraw/zinc/00/84/09/825008409.db2.gz JGTHLVWPLCEERV-ZYHUDNBSSA-N 2 2 252.318 -0.571 20 0 CBADLP [NH3+][C@H](C(=O)N[C@@H](CO)Cc1c[nH]c[nH+]1)C1CCC(O)CC1 ZINC001220290810 825008478 /nfs/dbraw/zinc/00/84/78/825008478.db2.gz FIDSGTKFVAGTSL-SHUSYIHASA-N 2 2 296.371 -0.692 20 0 CBADLP [NH3+][C@H](C(=O)N[C@@H](CO)Cc1c[nH+]c[nH]1)C1CCC(O)CC1 ZINC001220290810 825008483 /nfs/dbraw/zinc/00/84/83/825008483.db2.gz FIDSGTKFVAGTSL-SHUSYIHASA-N 2 2 296.371 -0.692 20 0 CBADLP C[C@H](NC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2)c1cnn(C)c1 ZINC001220308237 825010442 /nfs/dbraw/zinc/01/04/42/825010442.db2.gz HRMMNUJNOFYVDL-GAFUQQFSSA-N 2 2 263.345 -0.451 20 0 CBADLP [NH3+]C1(C(=O)N[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)CC[NH2+]CC1 ZINC001220321449 825015110 /nfs/dbraw/zinc/01/51/10/825015110.db2.gz UFCXUUUQWYEQAW-WCQYABFASA-N 3 2 282.388 -0.905 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N[C@H]1CC12CCOCC2 ZINC001220329109 825015611 /nfs/dbraw/zinc/01/56/11/825015611.db2.gz GRDRGODIXVSZNK-RYUDHWBXSA-N 2 2 278.356 -0.025 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCCNC(=O)Nc2ccccc2)C1 ZINC001220341297 825018673 /nfs/dbraw/zinc/01/86/73/825018673.db2.gz WRUUGOZAWAYDTQ-PWSUYJOCSA-N 2 2 291.355 -0.387 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cccn(CC2CC2)c1=O ZINC001220343395 825019934 /nfs/dbraw/zinc/01/99/34/825019934.db2.gz MRJZOZJFAKLHME-QWRGUYRKSA-N 2 2 276.340 -0.257 20 0 CBADLP C[C@H](NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2)c1cnccn1 ZINC001220369577 825021352 /nfs/dbraw/zinc/02/13/52/825021352.db2.gz YMFSAYMADMKMLV-WTBMIXGQSA-N 2 2 261.329 -0.124 20 0 CBADLP COC(=O)c1n[nH]cc1NC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001220373607 825023709 /nfs/dbraw/zinc/02/37/09/825023709.db2.gz UJGOCFGDXAPERC-UHFFFAOYSA-N 2 2 267.289 -0.784 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCCc2c[nH]c3cccnc23)C1 ZINC001220385887 825027014 /nfs/dbraw/zinc/02/70/14/825027014.db2.gz DBCRPZSGWRSNPU-PWSUYJOCSA-N 2 2 273.340 -0.089 20 0 CBADLP COC(=O)[C@H]1CC[C@H](NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)C1 ZINC001220406990 825033107 /nfs/dbraw/zinc/03/31/07/825033107.db2.gz ZROMIYDYZNBCKU-QXEWZRGKSA-N 2 2 280.328 -0.263 20 0 CBADLP COCC[N@H+]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)[C@@H](O)C1 ZINC001220442097 825039363 /nfs/dbraw/zinc/03/93/63/825039363.db2.gz XMSYQECEEDGPKT-UPJWGTAASA-N 2 2 296.371 -0.358 20 0 CBADLP COCC[N@@H+]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)[C@@H](O)C1 ZINC001220442097 825039371 /nfs/dbraw/zinc/03/93/71/825039371.db2.gz XMSYQECEEDGPKT-UPJWGTAASA-N 2 2 296.371 -0.358 20 0 CBADLP O=C(CNC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2)Cc1ccccc1 ZINC001220462671 825043837 /nfs/dbraw/zinc/04/38/37/825043837.db2.gz KFKDRKUVKOVWIN-XJKSGUPXSA-N 2 2 287.363 -0.134 20 0 CBADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)N2C[C@H](O)C[C@@H]2CO)cc1 ZINC001220481490 825048514 /nfs/dbraw/zinc/04/85/14/825048514.db2.gz JCSBWCOSPSMJAF-UPJWGTAASA-N 2 2 279.340 -0.787 20 0 CBADLP Cc1[nH][nH]c(=O)c1CCNC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220492493 825048959 /nfs/dbraw/zinc/04/89/59/825048959.db2.gz MOZVKQSMKVAADZ-RNCFNFMXSA-N 2 2 279.344 -0.966 20 0 CBADLP [NH3+][C@H](CNC(=O)C1([NH3+])CC[NH2+]CC1)c1ccccc1 ZINC001220502129 825050901 /nfs/dbraw/zinc/05/09/01/825050901.db2.gz ZNNFJKHQZJZSSG-GFCCVEGCSA-N 3 2 262.357 -0.117 20 0 CBADLP [NH3+][C@H](CNC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2)c1ccccc1 ZINC001220500270 825051904 /nfs/dbraw/zinc/05/19/04/825051904.db2.gz HPJDQTKBRAADMC-GUTXKFCHSA-N 3 2 274.368 -0.246 20 0 CBADLP COC(=O)C[C@@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])c1cccnc1 ZINC001220530222 825058687 /nfs/dbraw/zinc/05/86/87/825058687.db2.gz NWZQNMQWFNFYKS-SDDRHHMPSA-N 2 2 292.339 -0.651 20 0 CBADLP O=C(NCc1cccc2ccnn21)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220554034 825062419 /nfs/dbraw/zinc/06/24/19/825062419.db2.gz XXNRUONKACMXAB-NHYWBVRUSA-N 2 2 285.351 -0.098 20 0 CBADLP C[C@@H]1COCC[C@@H]1NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220564961 825063337 /nfs/dbraw/zinc/06/33/37/825063337.db2.gz IBQRLRIGFIWBMV-WTPMCQDGSA-N 2 2 253.346 -0.523 20 0 CBADLP C[C@@H]1COCC[C@@H]1NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220565990 825064211 /nfs/dbraw/zinc/06/42/11/825064211.db2.gz WMTFJVDDQGIFGS-MIMYLULJSA-N 2 2 252.318 -0.179 20 0 CBADLP C[C@H]1COCC[C@@H]1NC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001220564805 825064819 /nfs/dbraw/zinc/06/48/19/825064819.db2.gz GFFREUGCDDLFBJ-DLOVCJGASA-N 2 2 266.345 -0.169 20 0 CBADLP C[NH2+][C@@H](CCCC[NH3+])C(=O)NCC[NH+]1CC2(COC2)C1 ZINC001220571115 825066680 /nfs/dbraw/zinc/06/66/80/825066680.db2.gz JGBRYZBAJQBHGI-LBPRGKRZSA-N 3 2 284.404 -0.848 20 0 CBADLP CC(C)(O)CCCNC(=O)[C@@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001220575408 825067872 /nfs/dbraw/zinc/06/78/72/825067872.db2.gz HQSBTGZKEGKKIQ-LBPRGKRZSA-N 2 2 286.420 -0.596 20 0 CBADLP CC(C)(O)CCCNC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220573443 825068148 /nfs/dbraw/zinc/06/81/48/825068148.db2.gz LTDDBAAHQORYDC-ZWNOBZJWSA-N 2 2 255.362 -0.395 20 0 CBADLP O=C(C[NH2+]C1CC[NH2+]CC1)N[C@H]1NC(=O)c2ccccc21 ZINC001220620401 825077120 /nfs/dbraw/zinc/07/71/20/825077120.db2.gz UJJSXFHHOKGBMZ-AWEZNQCLSA-N 2 2 288.351 -0.114 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N[C@@H]1COCc2ccccc21 ZINC001220657457 825081259 /nfs/dbraw/zinc/08/12/59/825081259.db2.gz FVMKMXYHFCXJMQ-RWMBFGLXSA-N 2 2 261.325 -0.079 20 0 CBADLP O=C(N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220678866 825085115 /nfs/dbraw/zinc/08/51/15/825085115.db2.gz OPNRWLBMLFKNHY-BIGJJFBESA-N 3 2 278.400 -0.273 20 0 CBADLP CS(=O)(=O)c1ccccc1CNC(=O)[C@@H]([NH3+])CC[NH3+] ZINC001220683723 825085498 /nfs/dbraw/zinc/08/54/98/825085498.db2.gz POJBNAXJFAQEOD-JTQLQIEISA-N 2 2 285.369 -0.618 20 0 CBADLP [NH3+]CC[C@H]([NH3+])C(=O)N[C@H]1Cc2ccc(Cl)cc2NC1=O ZINC001220711203 825091638 /nfs/dbraw/zinc/09/16/38/825091638.db2.gz MGTGEXHFZQCYNE-ONGXEEELSA-N 2 2 296.758 -0.005 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001220725234 825093444 /nfs/dbraw/zinc/09/34/44/825093444.db2.gz OQPQMKFAOFXUKC-AAEUAGOBSA-N 3 2 284.404 -0.850 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001220725234 825093451 /nfs/dbraw/zinc/09/34/51/825093451.db2.gz OQPQMKFAOFXUKC-AAEUAGOBSA-N 3 2 284.404 -0.850 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]([NH3+])C1CCC(O)CC1 ZINC001220724049 825093541 /nfs/dbraw/zinc/09/35/41/825093541.db2.gz CTELDMHYJNVIOB-ABXWRUBCSA-N 2 2 299.415 -0.298 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]([NH3+])C1CCC(O)CC1 ZINC001220724049 825093547 /nfs/dbraw/zinc/09/35/47/825093547.db2.gz CTELDMHYJNVIOB-ABXWRUBCSA-N 2 2 299.415 -0.298 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC001220725510 825094202 /nfs/dbraw/zinc/09/42/02/825094202.db2.gz SYOSVDVOCHAOAE-QJPTWQEYSA-N 2 2 255.362 -0.049 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC001220725510 825094209 /nfs/dbraw/zinc/09/42/09/825094209.db2.gz SYOSVDVOCHAOAE-QJPTWQEYSA-N 2 2 255.362 -0.049 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CC[NH2+]C[C@@H]1F ZINC001220724045 825094473 /nfs/dbraw/zinc/09/44/73/825094473.db2.gz CQTCFXPJXVMITC-UTUOFQBUSA-N 2 2 273.352 -0.229 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CC[NH2+]C[C@@H]1F ZINC001220724045 825094479 /nfs/dbraw/zinc/09/44/79/825094479.db2.gz CQTCFXPJXVMITC-UTUOFQBUSA-N 2 2 273.352 -0.229 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001220725237 825094571 /nfs/dbraw/zinc/09/45/71/825094571.db2.gz OQPQMKFAOFXUKC-YPMHNXCESA-N 3 2 284.404 -0.850 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001220725237 825094577 /nfs/dbraw/zinc/09/45/77/825094577.db2.gz OQPQMKFAOFXUKC-YPMHNXCESA-N 3 2 284.404 -0.850 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NCCC1CCC(O)CC1 ZINC001220758107 825097273 /nfs/dbraw/zinc/09/72/73/825097273.db2.gz BVDVNXUGRDWUBC-QQFIATSDSA-N 2 2 255.362 -0.410 20 0 CBADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)[C@H]1CC[C@@H]1[NH3+] ZINC001220769319 825099180 /nfs/dbraw/zinc/09/91/80/825099180.db2.gz MPIREXOXFZCMLI-GARJFASQSA-N 2 2 280.328 -0.642 20 0 CBADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC001220770137 825099448 /nfs/dbraw/zinc/09/94/48/825099448.db2.gz UINRDWVPQZNHPJ-IJLUTSLNSA-N 2 2 294.355 -0.252 20 0 CBADLP CC1(C)[C@H](O)C[C@@H]1NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220766187 825099587 /nfs/dbraw/zinc/09/95/87/825099587.db2.gz NGSJIMZFKVJEDJ-LPEHRKFASA-N 2 2 252.318 -0.445 20 0 CBADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)[C@@H]1CCCC[NH2+]1 ZINC001220769026 825099608 /nfs/dbraw/zinc/09/96/08/825099608.db2.gz GZYREZCVTALLQG-RYUDHWBXSA-N 2 2 294.355 -0.238 20 0 CBADLP C[C@H](CNC(=O)[C@@H]([NH3+])Cc1nn[nH]n1)CC(C)(C)CC[NH3+] ZINC001220763569 825099746 /nfs/dbraw/zinc/09/97/46/825099746.db2.gz GRYIDICFZDZTSN-UWVGGRQHSA-N 2 2 297.407 -0.413 20 0 CBADLP CC1(C)[C@H](NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)C[C@@H]1O ZINC001220766998 825099842 /nfs/dbraw/zinc/09/98/42/825099842.db2.gz ZJOUBMSHRACUJB-LGMRYKSHSA-N 2 2 253.346 -0.516 20 0 CBADLP [NH3+][C@@]12CC[C@@](NC(=O)CN3CC[NH2+]CC3=O)(C1)CCC2 ZINC001220775123 825101621 /nfs/dbraw/zinc/10/16/21/825101621.db2.gz JSEIJZOWSPBUBV-UONOGXRCSA-N 2 2 280.372 -0.662 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001220802946 825104069 /nfs/dbraw/zinc/10/40/69/825104069.db2.gz AJMFLVTVLCATRW-XSPKLOCKSA-N 3 2 280.294 -0.810 20 0 CBADLP COc1ccc(CNC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)c(OC)n1 ZINC001220823508 825107205 /nfs/dbraw/zinc/10/72/05/825107205.db2.gz LEXFBQMORNPLJU-ZJUUUORDSA-N 2 2 280.328 -0.596 20 0 CBADLP CSCC[C@H](NC(=O)C[NH2+]C1CC[NH2+]CC1)C(N)=O ZINC001220839883 825110915 /nfs/dbraw/zinc/11/09/15/825110915.db2.gz FSTLXLKLRVFWGX-JTQLQIEISA-N 2 2 288.417 -0.949 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NCCO[C@H]1CCCCO1 ZINC001220861766 825114258 /nfs/dbraw/zinc/11/42/58/825114258.db2.gz DGVCLXTWCILPFX-STQMWFEESA-N 2 2 296.371 -0.051 20 0 CBADLP CCC[C@@H](CCO)NC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220868778 825116700 /nfs/dbraw/zinc/11/67/00/825116700.db2.gz UCVJEXFBJMUOJK-NTZNESFSSA-N 2 2 255.362 -0.395 20 0 CBADLP COC(=O)[C@H]1C[C@H]1CNC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001220882736 825119873 /nfs/dbraw/zinc/11/98/73/825119873.db2.gz ZVDFCJYWILYBCU-LSJOCFKGSA-N 2 2 280.328 -0.785 20 0 CBADLP COC(=O)[C@H]1C[C@@H]1CNC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001220882737 825120083 /nfs/dbraw/zinc/12/00/83/825120083.db2.gz ZVDFCJYWILYBCU-MIMYLULJSA-N 2 2 280.328 -0.785 20 0 CBADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001220934458 825125556 /nfs/dbraw/zinc/12/55/56/825125556.db2.gz OOXSQHOHTJFJNO-WOPDTQHZSA-N 2 2 276.340 -0.501 20 0 CBADLP N[C@@]1(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC[NH2+]C1 ZINC001220934460 825125885 /nfs/dbraw/zinc/12/58/85/825125885.db2.gz OPAPMQBOOHCNMH-RISCZKNCSA-N 2 2 275.356 -0.533 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N[C@H]1CCCc2nccnc21 ZINC001220950742 825126752 /nfs/dbraw/zinc/12/67/52/825126752.db2.gz FCOYPPFUFVNCGH-QXEWZRGKSA-N 2 2 261.329 -0.483 20 0 CBADLP O=C(NCc1[nH+]cn2ccccc12)[C@@H]1COCC[NH2+]1 ZINC001221007615 825133943 /nfs/dbraw/zinc/13/39/43/825133943.db2.gz AHKCJIIVAFJDHV-NSHDSACASA-N 2 2 260.297 -0.061 20 0 CBADLP C[C@H]1C[C@H](NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)CCO1 ZINC001221007811 825134210 /nfs/dbraw/zinc/13/42/10/825134210.db2.gz DJGYYCLSMILKFM-NGZCFLSTSA-N 2 2 252.318 -0.037 20 0 CBADLP C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)CCO1 ZINC001221008642 825135959 /nfs/dbraw/zinc/13/59/59/825135959.db2.gz XQWCFMBELCPWGC-CSYMLDBXSA-N 2 2 253.346 -0.380 20 0 CBADLP COC[C@@H](NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1)C1CC1 ZINC001221013814 825136999 /nfs/dbraw/zinc/13/69/99/825136999.db2.gz XXJFTFCHFZTQAU-GHMZBOCLSA-N 2 2 252.318 -0.179 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NCCc1nncs1 ZINC001221013627 825137163 /nfs/dbraw/zinc/13/71/63/825137163.db2.gz VKLZSNBLOTWCKP-VIFPVBQESA-N 2 2 280.357 -0.500 20 0 CBADLP O=C(NCCc1nncs1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001221013032 825137622 /nfs/dbraw/zinc/13/76/22/825137622.db2.gz IDPYIQNUPDYZDO-XHNCKOQMSA-N 2 2 267.358 -0.853 20 0 CBADLP N[C@]1(C(=O)NCc2c[nH+]cn2C2CCC2)CC[NH2+]C1 ZINC001221023620 825138195 /nfs/dbraw/zinc/13/81/95/825138195.db2.gz PONDAUKWELEFOG-CYBMUJFWSA-N 2 2 263.345 -0.085 20 0 CBADLP O=C(NCc1c[nH+]cn1C1CCC1)[C@@H]1C[NH2+]C[C@@H]1O ZINC001221023453 825138711 /nfs/dbraw/zinc/13/87/11/825138711.db2.gz LZTNFFJOUNYMKR-NEPJUHHUSA-N 2 2 264.329 -0.195 20 0 CBADLP N[C@@]1(C(=O)NCc2c[nH+]cn2C2CCC2)CC[NH2+]C1 ZINC001221023621 825138865 /nfs/dbraw/zinc/13/88/65/825138865.db2.gz PONDAUKWELEFOG-ZDUSSCGKSA-N 2 2 263.345 -0.085 20 0 CBADLP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001221073174 825141241 /nfs/dbraw/zinc/14/12/41/825141241.db2.gz JRBCMZTVWXOQOE-OLZOCXBDSA-N 2 2 287.379 -0.007 20 0 CBADLP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@H+](CCF)C[C@@H]1O ZINC001221073174 825141244 /nfs/dbraw/zinc/14/12/44/825141244.db2.gz JRBCMZTVWXOQOE-OLZOCXBDSA-N 2 2 287.379 -0.007 20 0 CBADLP O=C(NC1(c2cnccn2)CC1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001221082475 825141822 /nfs/dbraw/zinc/14/18/22/825141822.db2.gz VLINRMNNFNLPIG-HZMBPMFUSA-N 2 2 273.340 -0.467 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NC1(c2cnccn2)CC1 ZINC001221082144 825142206 /nfs/dbraw/zinc/14/22/06/825142206.db2.gz JBRQYQHPNZHKKF-NSHDSACASA-N 2 2 286.339 -0.115 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NCc1ccnn1CCF ZINC001221106351 825145111 /nfs/dbraw/zinc/14/51/11/825145111.db2.gz VYCOZPNGAPLJEP-LBPRGKRZSA-N 2 2 294.334 -0.228 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCc2ccn(CC(F)(F)F)n2)C1 ZINC001221107877 825145660 /nfs/dbraw/zinc/14/56/60/825145660.db2.gz KVDTXAWNNYZTCC-APPZFPTMSA-N 2 2 291.277 -0.249 20 0 CBADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccnn1CCF ZINC001221105996 825145704 /nfs/dbraw/zinc/14/57/04/825145704.db2.gz IUTPPKRXURQOIR-LLVKDONJSA-N 2 2 280.307 -0.238 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NCc1cc(OCC2CC2)ncn1 ZINC001221159750 825148663 /nfs/dbraw/zinc/14/86/63/825148663.db2.gz KPJIOVMTKLDDCE-RYUDHWBXSA-N 2 2 291.355 -0.572 20 0 CBADLP COCCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001221164882 825148749 /nfs/dbraw/zinc/14/87/49/825148749.db2.gz XAFRIQIGQGVWBN-NEPJUHHUSA-N 2 2 282.344 -0.919 20 0 CBADLP COCCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001221164882 825148755 /nfs/dbraw/zinc/14/87/55/825148755.db2.gz XAFRIQIGQGVWBN-NEPJUHHUSA-N 2 2 282.344 -0.919 20 0 CBADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001221154525 825149240 /nfs/dbraw/zinc/14/92/40/825149240.db2.gz QDBOMZDVDHVNRP-OLZOCXBDSA-N 2 2 296.371 -0.793 20 0 CBADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001221154525 825149246 /nfs/dbraw/zinc/14/92/46/825149246.db2.gz QDBOMZDVDHVNRP-OLZOCXBDSA-N 2 2 296.371 -0.793 20 0 CBADLP COCC1(CNC(=O)C2([NH3+])CC[NH2+]CC2)CCOCC1 ZINC001221177049 825151337 /nfs/dbraw/zinc/15/13/37/825151337.db2.gz ZKARILGCSSQKTD-UHFFFAOYSA-N 2 2 285.388 -0.373 20 0 CBADLP CC(C)(C)[NH+]1CC(NC(=O)C[NH2+]C2CC[NH2+]CC2)C1 ZINC001221194339 825153499 /nfs/dbraw/zinc/15/34/99/825153499.db2.gz PTTBXDXREIPNDA-UHFFFAOYSA-N 3 2 268.405 -0.073 20 0 CBADLP COC(=O)[C@](C)(NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])C(F)(F)F ZINC001221221854 825156905 /nfs/dbraw/zinc/15/69/05/825156905.db2.gz ZQQOESULRFMRFJ-WATHFIQWSA-N 2 2 283.250 -0.857 20 0 CBADLP COC(=O)[C@H]1C2CCC(CC2)[C@@H]1NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001221242918 825158241 /nfs/dbraw/zinc/15/82/41/825158241.db2.gz BMICCPCNVJCNGT-FFJCVJAYSA-N 2 2 295.383 -0.230 20 0 CBADLP C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)C1 ZINC001221254352 825161477 /nfs/dbraw/zinc/16/14/77/825161477.db2.gz MEDOFIMKBGOSBD-FIQHERPVSA-N 3 2 252.362 -0.996 20 0 CBADLP C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)C1 ZINC001221254352 825161483 /nfs/dbraw/zinc/16/14/83/825161483.db2.gz MEDOFIMKBGOSBD-FIQHERPVSA-N 3 2 252.362 -0.996 20 0 CBADLP C[N@@H+]1CC[C@@H](CNC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)C1 ZINC001221253965 825161710 /nfs/dbraw/zinc/16/17/10/825161710.db2.gz CMYWEFDLFYNTOM-WGBDABJCSA-N 3 2 252.362 -0.724 20 0 CBADLP C[N@H+]1CC[C@@H](CNC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)C1 ZINC001221253965 825161713 /nfs/dbraw/zinc/16/17/13/825161713.db2.gz CMYWEFDLFYNTOM-WGBDABJCSA-N 3 2 252.362 -0.724 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC001221253927 825162603 /nfs/dbraw/zinc/16/26/03/825162603.db2.gz BUWIPJZKSXYNRS-JQWIXIFHSA-N 3 2 265.361 -0.642 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC001221253927 825162609 /nfs/dbraw/zinc/16/26/09/825162609.db2.gz BUWIPJZKSXYNRS-JQWIXIFHSA-N 3 2 265.361 -0.642 20 0 CBADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCCNC(=O)C1 ZINC001221269431 825165421 /nfs/dbraw/zinc/16/54/21/825165421.db2.gz MCOHCTPIYBLYKY-WPRPVWTQSA-N 2 2 265.317 -0.936 20 0 CBADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCCNC(=O)C1 ZINC001221269395 825165340 /nfs/dbraw/zinc/16/53/40/825165340.db2.gz MCOHCTPIYBLYKY-WCBMZHEXSA-N 2 2 265.317 -0.936 20 0 CBADLP O=C(N[C@H]1CCC[C@H]1CO)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001221306572 825167906 /nfs/dbraw/zinc/16/79/06/825167906.db2.gz VAAPLYNHCDOZHL-SRRSOLGSSA-N 2 2 253.346 -0.785 20 0 CBADLP O=C(NCc1cnc(Cl)cn1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001221319290 825170506 /nfs/dbraw/zinc/17/05/06/825170506.db2.gz UONRESBJCWBLGI-QPUJVOFHSA-N 2 2 281.747 -0.302 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCc2cnc(Cl)cn2)C1 ZINC001221319146 825171253 /nfs/dbraw/zinc/17/12/53/825171253.db2.gz NRYIXSBSDZRXJQ-SVRRBLITSA-N 2 2 255.709 -0.565 20 0 CBADLP N=C(NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)c1cnc2ccc(F)cn21 ZINC001221323089 825171498 /nfs/dbraw/zinc/17/14/98/825171498.db2.gz UNRWJPPKGGCBJS-BDAKNGLRSA-N 2 2 290.302 -0.396 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cnn(-c2ccccc2)c(=O)c1 ZINC001221332148 825172312 /nfs/dbraw/zinc/17/23/12/825172312.db2.gz XSVBARJLAWIDQV-STQMWFEESA-N 2 2 299.334 -0.282 20 0 CBADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)NC[C@H](O)CF)cc1 ZINC001221337736 825173974 /nfs/dbraw/zinc/17/39/74/825173974.db2.gz MCYJBDUDMJMVKR-GHMZBOCLSA-N 2 2 255.293 -0.295 20 0 CBADLP COc1cnccc1CCNC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001221336890 825174024 /nfs/dbraw/zinc/17/40/24/825174024.db2.gz HMAXSSHIBBCQCR-MNOVXSKESA-N 2 2 264.329 -0.562 20 0 CBADLP COCC1(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)Cc2ccccc2C1 ZINC001221397042 825180874 /nfs/dbraw/zinc/18/08/74/825180874.db2.gz TZOPUNZCNUESOL-KGLIPLIRSA-N 2 2 289.379 -0.024 20 0 CBADLP O=C(NCCOc1cc[nH+]cc1)[C@H]1[NH2+]CC[C@H]1O ZINC001221393383 825181166 /nfs/dbraw/zinc/18/11/66/825181166.db2.gz CIHOQHFWDNFVBD-MNOVXSKESA-N 2 2 251.286 -0.701 20 0 CBADLP O=C(NCCOc1cc[nH+]cc1)[C@@H]1C[NH2+]C[C@@H]1O ZINC001221393836 825181332 /nfs/dbraw/zinc/18/13/32/825181332.db2.gz OMNDVJWGZGYYQT-MNOVXSKESA-N 2 2 251.286 -0.843 20 0 CBADLP N[C@H]1C[NH2+]C[C@@H]1C(=O)NCCOc1cc[nH+]cc1 ZINC001221393380 825181699 /nfs/dbraw/zinc/18/16/99/825181699.db2.gz CFAVOCIWVIROLT-QWRGUYRKSA-N 2 2 250.302 -0.877 20 0 CBADLP O=C(NCCOc1cc[nH+]cc1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001221393663 825181933 /nfs/dbraw/zinc/18/19/33/825181933.db2.gz LFQAEEZUDOFQRN-ONGXEEELSA-N 2 2 251.286 -0.701 20 0 CBADLP CC(C)N(C(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2)C(C)(C)C[NH3+] ZINC001221394067 825181943 /nfs/dbraw/zinc/18/19/43/825181943.db2.gz IELWITISQSQPBB-RISCZKNCSA-N 3 2 268.405 -0.088 20 0 CBADLP COc1cccc([C@@H](C[NH3+])NC(=O)C2([NH3+])CC[NH2+]CC2)c1 ZINC001221406539 825184566 /nfs/dbraw/zinc/18/45/66/825184566.db2.gz SGHIHMJJQVBHJL-CYBMUJFWSA-N 3 2 292.383 -0.108 20 0 CBADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N[C@@H](C2CCC2)C2C[NH2+]C2)C1 ZINC001221415027 825187686 /nfs/dbraw/zinc/18/76/86/825187686.db2.gz WBYZVHCCHPMEAU-SRVKXCTJSA-N 3 2 252.362 -0.820 20 0 CBADLP CC[N@H+](C)C(C)(C)C(=O)N1C[C@H]2CC[NH+](CC(N)=O)C[C@H]21 ZINC001221656952 825193196 /nfs/dbraw/zinc/19/31/96/825193196.db2.gz BRVPMNKDMOTIFD-VXGBXAGGSA-N 2 2 296.415 -0.265 20 0 CBADLP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@H]2CC[NH+](CC(N)=O)C[C@H]21 ZINC001221656952 825193198 /nfs/dbraw/zinc/19/31/98/825193198.db2.gz BRVPMNKDMOTIFD-VXGBXAGGSA-N 2 2 296.415 -0.265 20 0 CBADLP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2CC[N@H+](CC(N)=O)C[C@H]21 ZINC001221656952 825193199 /nfs/dbraw/zinc/19/31/99/825193199.db2.gz BRVPMNKDMOTIFD-VXGBXAGGSA-N 2 2 296.415 -0.265 20 0 CBADLP CC[NH+](C)C(C)(C)C(=O)N1C[C@H]2CC[N@@H+](CC(N)=O)C[C@H]21 ZINC001221656952 825193200 /nfs/dbraw/zinc/19/32/00/825193200.db2.gz BRVPMNKDMOTIFD-VXGBXAGGSA-N 2 2 296.415 -0.265 20 0 CBADLP C[NH+](C)CCCC(=O)N1C[C@H]2CC[N@H+](CC(N)=O)C[C@H]21 ZINC001221774084 825194487 /nfs/dbraw/zinc/19/44/87/825194487.db2.gz RSAZDXNDOZQPLF-VXGBXAGGSA-N 2 2 282.388 -0.654 20 0 CBADLP C[NH+](C)CCCC(=O)N1C[C@H]2CC[N@@H+](CC(N)=O)C[C@H]21 ZINC001221774084 825194492 /nfs/dbraw/zinc/19/44/92/825194492.db2.gz RSAZDXNDOZQPLF-VXGBXAGGSA-N 2 2 282.388 -0.654 20 0 CBADLP CC[NH+](CC)CC(=O)N1C[C@H]2CC[N@@H+]([C@H](C)C(N)=O)C[C@H]21 ZINC001221883846 825198047 /nfs/dbraw/zinc/19/80/47/825198047.db2.gz WZLKWALOBBKSDH-JHJVBQTASA-N 2 2 296.415 -0.265 20 0 CBADLP CC[NH+](CC)CC(=O)N1C[C@H]2CC[N@H+]([C@H](C)C(N)=O)C[C@H]21 ZINC001221883846 825198053 /nfs/dbraw/zinc/19/80/53/825198053.db2.gz WZLKWALOBBKSDH-JHJVBQTASA-N 2 2 296.415 -0.265 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CCC[C@H]([NH2+]CCOCCO)C1 ZINC001222097785 825201409 /nfs/dbraw/zinc/20/14/09/825201409.db2.gz GHLLHQRYTLTQKQ-ZDUSSCGKSA-N 2 2 296.371 -0.527 20 0 CBADLP C[NH+]1CCN(C(=O)COC[C@H]2C[N@H+](C)CCO2)CC1 ZINC001222544073 825215991 /nfs/dbraw/zinc/21/59/91/825215991.db2.gz ZEASNTKDGTZSNB-GFCCVEGCSA-N 2 2 271.361 -0.892 20 0 CBADLP C[NH+]1CCN(C(=O)COC[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001222544073 825215995 /nfs/dbraw/zinc/21/59/95/825215995.db2.gz ZEASNTKDGTZSNB-GFCCVEGCSA-N 2 2 271.361 -0.892 20 0 CBADLP C[NH+]1CCN(CCOC[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001224549433 825242691 /nfs/dbraw/zinc/24/26/91/825242691.db2.gz NYKYWVZUOOMTTO-ZDUSSCGKSA-N 2 2 257.378 -0.419 20 0 CBADLP C[NH+]1CCN(CCOC[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001224549433 825242694 /nfs/dbraw/zinc/24/26/94/825242694.db2.gz NYKYWVZUOOMTTO-ZDUSSCGKSA-N 2 2 257.378 -0.419 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CCC(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001225658785 825258672 /nfs/dbraw/zinc/25/86/72/825258672.db2.gz OUHOYZUQCHYFQN-NSHDSACASA-N 2 2 293.371 -0.415 20 0 CBADLP O=C(CCn1cc[nH+]c1)NC1CC[NH+](CCO)CC1 ZINC001228515875 825319516 /nfs/dbraw/zinc/31/95/16/825319516.db2.gz CWVGHRSPQFIUDV-UHFFFAOYSA-N 2 2 266.345 -0.154 20 0 CBADLP COC[C@H](O)C[NH+]1CCC(NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001229355484 825331766 /nfs/dbraw/zinc/33/17/66/825331766.db2.gz ASRVOYVPYZVSPS-CYBMUJFWSA-N 2 2 296.371 -0.460 20 0 CBADLP COC(=O)[C@@]12COC[C@@H]1C[N@H+](C[C@@H]1C[NH2+]C(C)(C)O1)C2 ZINC001235051864 825483550 /nfs/dbraw/zinc/48/35/50/825483550.db2.gz AXOJXPYNUMCUMR-MJVIPROJSA-N 2 2 284.356 -0.168 20 0 CBADLP COC(=O)[C@@]12COC[C@@H]1C[N@@H+](C[C@@H]1C[NH2+]C(C)(C)O1)C2 ZINC001235051864 825483556 /nfs/dbraw/zinc/48/35/56/825483556.db2.gz AXOJXPYNUMCUMR-MJVIPROJSA-N 2 2 284.356 -0.168 20 0 CBADLP [NH3+][C@H]1NC(CN2CCN[C@]3(CC[NH2+]C3)C2)=CS1 ZINC001235052361 825483767 /nfs/dbraw/zinc/48/37/67/825483767.db2.gz DJNCGTZZHIBLPV-QWRGUYRKSA-N 2 2 255.391 -0.956 20 0 CBADLP OCCCC[N@@H+]1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001235142620 825487501 /nfs/dbraw/zinc/48/75/01/825487501.db2.gz FJTRYLLXAAFFLO-UHFFFAOYSA-N 2 2 265.361 -0.055 20 0 CBADLP OCCCC[N@H+]1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001235142620 825487507 /nfs/dbraw/zinc/48/75/07/825487507.db2.gz FJTRYLLXAAFFLO-UHFFFAOYSA-N 2 2 265.361 -0.055 20 0 CBADLP CC1(C)O[C@@H]2O[C@@H](C[N@@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)[C@@H](O)[C@@H]2O1 ZINC001235257255 825491506 /nfs/dbraw/zinc/49/15/06/825491506.db2.gz XLZLIHHBSTZGJF-PRFQISJJSA-N 2 2 298.383 -0.093 20 0 CBADLP CC1(C)O[C@@H]2O[C@@H](C[N@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)[C@@H](O)[C@@H]2O1 ZINC001235257255 825491508 /nfs/dbraw/zinc/49/15/08/825491508.db2.gz XLZLIHHBSTZGJF-PRFQISJJSA-N 2 2 298.383 -0.093 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)C[NH+](C)C1CCC1 ZINC001235393230 825493993 /nfs/dbraw/zinc/49/39/93/825493993.db2.gz NMHOMXPTBUPNLA-ZDUSSCGKSA-N 2 2 296.415 -0.251 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)C[NH+](C)C1CCC1 ZINC001235393230 825493998 /nfs/dbraw/zinc/49/39/98/825493998.db2.gz NMHOMXPTBUPNLA-ZDUSSCGKSA-N 2 2 296.415 -0.251 20 0 CBADLP CNC(=O)C[NH+]1CC[C@H]1CN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001235393230 825494001 /nfs/dbraw/zinc/49/40/01/825494001.db2.gz NMHOMXPTBUPNLA-ZDUSSCGKSA-N 2 2 296.415 -0.251 20 0 CBADLP CNC(=O)C[NH+]1CC[C@H]1CN(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001235393230 825494004 /nfs/dbraw/zinc/49/40/04/825494004.db2.gz NMHOMXPTBUPNLA-ZDUSSCGKSA-N 2 2 296.415 -0.251 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CC[C@H]1CN(C)C(=O)C[NH+](C)C1CCC1 ZINC001235395938 825494162 /nfs/dbraw/zinc/49/41/62/825494162.db2.gz YYGUWEUVYLWJPX-YPMHNXCESA-N 2 2 296.415 -0.123 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CC[C@H]1CN(C)C(=O)C[NH+](C)C1CCC1 ZINC001235395938 825494163 /nfs/dbraw/zinc/49/41/63/825494163.db2.gz YYGUWEUVYLWJPX-YPMHNXCESA-N 2 2 296.415 -0.123 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CC[C@H]1CN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001235395938 825494166 /nfs/dbraw/zinc/49/41/66/825494166.db2.gz YYGUWEUVYLWJPX-YPMHNXCESA-N 2 2 296.415 -0.123 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CC[C@H]1CN(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001235395938 825494171 /nfs/dbraw/zinc/49/41/71/825494171.db2.gz YYGUWEUVYLWJPX-YPMHNXCESA-N 2 2 296.415 -0.123 20 0 CBADLP CNC(=O)CO[C@H]1COC2(C1)CC[NH+](CC[NH3+])CC2 ZINC001235484082 825497701 /nfs/dbraw/zinc/49/77/01/825497701.db2.gz OHPZRSLTMAWBKH-LLVKDONJSA-N 2 2 271.361 -0.669 20 0 CBADLP [NH3+]CC[N@@H+]1C[C@@H]2COC[C@@H](C(=O)N3CCCCO3)[C@@H]2C1 ZINC001235498867 825499821 /nfs/dbraw/zinc/49/98/21/825499821.db2.gz WRDOLKFYGKIVKG-JHJVBQTASA-N 2 2 283.372 -0.307 20 0 CBADLP [NH3+]CC[N@H+]1C[C@@H]2COC[C@@H](C(=O)N3CCCCO3)[C@@H]2C1 ZINC001235498867 825499827 /nfs/dbraw/zinc/49/98/27/825499827.db2.gz WRDOLKFYGKIVKG-JHJVBQTASA-N 2 2 283.372 -0.307 20 0 CBADLP C[NH+](C)Cc1cc(=O)n2c(n1)C[N@@H+](CCCO)CCC2 ZINC001235595923 825506852 /nfs/dbraw/zinc/50/68/52/825506852.db2.gz FIGGHHDFNSWWHW-UHFFFAOYSA-N 2 2 280.372 -0.107 20 0 CBADLP C[NH+](C)Cc1cc(=O)n2c(n1)C[N@H+](CCCO)CCC2 ZINC001235595923 825506858 /nfs/dbraw/zinc/50/68/58/825506858.db2.gz FIGGHHDFNSWWHW-UHFFFAOYSA-N 2 2 280.372 -0.107 20 0 CBADLP C[NH+](C)Cc1cc(=O)n2c(n1)C[N@@H+](CCO)CCC2 ZINC001235598095 825506878 /nfs/dbraw/zinc/50/68/78/825506878.db2.gz STPLTQBZWZERGC-UHFFFAOYSA-N 2 2 266.345 -0.497 20 0 CBADLP C[NH+](C)Cc1cc(=O)n2c(n1)C[N@H+](CCO)CCC2 ZINC001235598095 825506884 /nfs/dbraw/zinc/50/68/84/825506884.db2.gz STPLTQBZWZERGC-UHFFFAOYSA-N 2 2 266.345 -0.497 20 0 CBADLP C[N@H+](C1COC1)C1CN(C[C@@H]2C[NH2+]C(C)(C)O2)C1 ZINC001235894421 825517650 /nfs/dbraw/zinc/51/76/50/825517650.db2.gz WXTDLVVXQQTTCL-LBPRGKRZSA-N 2 2 255.362 -0.274 20 0 CBADLP C[N@@H+](C1COC1)C1CN(C[C@@H]2C[NH2+]C(C)(C)O2)C1 ZINC001235894421 825517658 /nfs/dbraw/zinc/51/76/58/825517658.db2.gz WXTDLVVXQQTTCL-LBPRGKRZSA-N 2 2 255.362 -0.274 20 0 CBADLP CC1(C)[NH2+]C[C@@H](C[NH+]2CCC3(CC2)CNC(=O)CO3)O1 ZINC001236007180 825519177 /nfs/dbraw/zinc/51/91/77/825519177.db2.gz UMHUDVPVJONXLP-NSHDSACASA-N 2 2 283.372 -0.308 20 0 CBADLP CN(C)c1ncc(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])cn1 ZINC001235996050 825519718 /nfs/dbraw/zinc/51/97/18/825519718.db2.gz XFWDXPLRKJWIPG-FUNVUKJBSA-N 2 2 277.372 -0.052 20 0 CBADLP CN(C)c1ncc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])cn1 ZINC001235996050 825519722 /nfs/dbraw/zinc/51/97/22/825519722.db2.gz XFWDXPLRKJWIPG-FUNVUKJBSA-N 2 2 277.372 -0.052 20 0 CBADLP C[C@H]1C[N@H+](C[C@@H]2O[C@H]3OC(C)(C)O[C@H]3[C@@H]2O)CCC[NH2+]1 ZINC001236098101 825522586 /nfs/dbraw/zinc/52/25/86/825522586.db2.gz NPCCMANEQFLCSZ-WJTVCTBASA-N 2 2 286.372 -0.093 20 0 CBADLP C[C@H]1C[N@@H+](C[C@@H]2O[C@H]3OC(C)(C)O[C@H]3[C@@H]2O)CCC[NH2+]1 ZINC001236098101 825522593 /nfs/dbraw/zinc/52/25/93/825522593.db2.gz NPCCMANEQFLCSZ-WJTVCTBASA-N 2 2 286.372 -0.093 20 0 CBADLP COC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1cccc(N)[nH+]1 ZINC001236198542 825524367 /nfs/dbraw/zinc/52/43/67/825524367.db2.gz BIEOMSDULKTFJX-WPRPVWTQSA-N 2 2 250.302 -0.262 20 0 CBADLP COC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1cccc(N)[nH+]1 ZINC001236198540 825524670 /nfs/dbraw/zinc/52/46/70/825524670.db2.gz BIEOMSDULKTFJX-SCZZXKLOSA-N 2 2 250.302 -0.262 20 0 CBADLP COC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1c(C)[nH+]cn1C ZINC001236202653 825525384 /nfs/dbraw/zinc/52/53/84/825525384.db2.gz WJUIFPKIUGAVHQ-UWVGGRQHSA-N 2 2 252.318 -0.197 20 0 CBADLP COC(=O)[C@H]1CN(Cc2cccc(N)[nH+]2)C[C@H]1[NH3+] ZINC001236353763 825530327 /nfs/dbraw/zinc/53/03/27/825530327.db2.gz NLHDDEFMHYLSSN-VHSXEESVSA-N 2 2 250.302 -0.404 20 0 CBADLP C[C@@H]([NH3+])CN(CC[NH+]1CCOCC1)CC1CC[NH2+]CC1 ZINC001236399208 825531946 /nfs/dbraw/zinc/53/19/46/825531946.db2.gz NIQVEZPCAGMJEE-CQSZACIVSA-N 3 2 284.448 -0.033 20 0 CBADLP [NH3+]CCS(=O)(=O)NC1CN(c2cccc[nH+]2)C1 ZINC001238812740 825565183 /nfs/dbraw/zinc/56/51/83/825565183.db2.gz ODMDTLIVIWCLOW-UHFFFAOYSA-N 2 2 256.331 -0.852 20 0 CBADLP Cc1c(F)cccc1S(=O)(=O)NCC[NH2+]CC[NH3+] ZINC001238837390 825565893 /nfs/dbraw/zinc/56/58/93/825565893.db2.gz DIJOWIPVJCIDST-UHFFFAOYSA-N 2 2 275.349 -0.039 20 0 CBADLP [NH3+]CCS(=O)(=O)NCc1ccc2[nH+]ccn2c1 ZINC001238906433 825570912 /nfs/dbraw/zinc/57/09/12/825570912.db2.gz LBMKQDLVLMPJNE-UHFFFAOYSA-N 2 2 254.315 -0.288 20 0 CBADLP [NH3+]CCS(=O)(=O)N1CC[NH2+][C@H](c2ccccc2)C1 ZINC001239093585 825586850 /nfs/dbraw/zinc/58/68/50/825586850.db2.gz OPVWWQFIAOKTOW-LBPRGKRZSA-N 2 2 269.370 -0.079 20 0 CBADLP [NH3+]CCS(=O)(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC001239111217 825589920 /nfs/dbraw/zinc/58/99/20/825589920.db2.gz MHTGXJNVBJHYAA-LLVKDONJSA-N 2 2 271.342 -0.177 20 0 CBADLP [NH3+]CCS(=O)(=O)N1CC[NH2+]C[C@@H]1c1cccs1 ZINC001239114821 825590327 /nfs/dbraw/zinc/59/03/27/825590327.db2.gz ZXXNOKTXCNVHDS-SECBINFHSA-N 2 2 275.399 -0.017 20 0 CBADLP CC(C)(O)CC[NH+]1CCN(S(=O)(=O)CC[NH3+])CC1 ZINC001239132802 825592234 /nfs/dbraw/zinc/59/22/34/825592234.db2.gz KJWMXHNTFQMNKF-UHFFFAOYSA-N 2 2 279.406 -0.947 20 0 CBADLP C[C@H]1CC[C@H]([NH2+]C[C@@H](O)CC2(O)CC[NH2+]CC2)C[NH2+]1 ZINC001245970885 825616114 /nfs/dbraw/zinc/61/61/14/825616114.db2.gz CKMCJRJETYGJGS-AVGNSLFASA-N 3 2 271.405 -0.418 20 0 CBADLP O[C@@H](C[NH2+][C@H]1CCC[NH2+]C1)CC1(O)CC[NH2+]CC1 ZINC001245978802 825616185 /nfs/dbraw/zinc/61/61/85/825616185.db2.gz FTEMQCWLKTZXAI-NWDGAFQWSA-N 3 2 257.378 -0.807 20 0 CBADLP OC1(C[NH2+]C[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CC[NH2+]CC1 ZINC001245982246 825616628 /nfs/dbraw/zinc/61/66/28/825616628.db2.gz CSSXLANJEPBIMM-CYBMUJFWSA-N 4 2 282.432 -0.435 20 0 CBADLP [NH3+]C[C@H]1C[N@H+](C[C@@H](O)[C@@H]([NH3+])Cc2ccccc2)C[C@H]1O ZINC001246020660 825622337 /nfs/dbraw/zinc/62/23/37/825622337.db2.gz JPWMQMZFTLIJOT-BYNSBNAKSA-N 3 2 279.384 -0.831 20 0 CBADLP [NH3+]C[C@H]1C[N@@H+](C[C@@H](O)[C@@H]([NH3+])Cc2ccccc2)C[C@H]1O ZINC001246020660 825622342 /nfs/dbraw/zinc/62/23/42/825622342.db2.gz JPWMQMZFTLIJOT-BYNSBNAKSA-N 3 2 279.384 -0.831 20 0 CBADLP [NH3+]C[C@@H]1CN(C[C@H](O)C[NH+]2CCOCC2)CCC1(F)F ZINC001246018540 825623216 /nfs/dbraw/zinc/62/32/16/825623216.db2.gz DULGGMRDOLTKNT-VXGBXAGGSA-N 2 2 293.358 -0.405 20 0 CBADLP [NH3+]C[C@]1(F)CCCC[N@H+](C[C@H](O)CN2CCOCC2)C1 ZINC001246020986 825624794 /nfs/dbraw/zinc/62/47/94/825624794.db2.gz KRYOCPJXJAFAQT-ZIAGYGMSSA-N 2 2 289.395 -0.168 20 0 CBADLP [NH3+]C[C@]1(F)CCCC[N@@H+](C[C@H](O)CN2CCOCC2)C1 ZINC001246020986 825624797 /nfs/dbraw/zinc/62/47/97/825624797.db2.gz KRYOCPJXJAFAQT-ZIAGYGMSSA-N 2 2 289.395 -0.168 20 0 CBADLP CC[NH+](CC)C[C@@H](O)CN1CC[NH2+]C2(CC[NH2+]CC2)C1 ZINC001246027552 825625799 /nfs/dbraw/zinc/62/57/99/825625799.db2.gz HKUKYYCMLPGOFR-CQSZACIVSA-N 3 2 284.448 -0.284 20 0 CBADLP CC(C)(C)OC[C@@H](O)C[N@@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246027120 825626269 /nfs/dbraw/zinc/62/62/69/825626269.db2.gz PAZGVZCHACCZKX-JSGCOSHPSA-N 2 2 271.405 -0.200 20 0 CBADLP CC(C)(C)OC[C@@H](O)C[N@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246027120 825626277 /nfs/dbraw/zinc/62/62/77/825626277.db2.gz PAZGVZCHACCZKX-JSGCOSHPSA-N 2 2 271.405 -0.200 20 0 CBADLP [NH3+][C@H]1CN(C[C@H](O)CC2(O)CC[NH2+]CC2)CCC1(F)F ZINC001246031068 825627830 /nfs/dbraw/zinc/62/78/30/825627830.db2.gz HMAQDZRSCWVCHV-MNOVXSKESA-N 2 2 293.358 -0.480 20 0 CBADLP [NH3+][C@]12CC[C@@H]1C[N@H+](C[C@H](O)CC1(O)CC[NH2+]CC1)C2 ZINC001246044958 825628835 /nfs/dbraw/zinc/62/88/35/825628835.db2.gz IKXVNTMPXLIFKG-BZPMIXESSA-N 3 2 269.389 -0.725 20 0 CBADLP [NH3+][C@]12CC[C@@H]1C[N@@H+](C[C@H](O)CC1(O)CC[NH2+]CC1)C2 ZINC001246044958 825628838 /nfs/dbraw/zinc/62/88/38/825628838.db2.gz IKXVNTMPXLIFKG-BZPMIXESSA-N 3 2 269.389 -0.725 20 0 CBADLP CCOC(=O)[C@]12C[N@H+](C[C@]3(O)CC[NH2+]C3)C[C@H]1C[NH2+]CC2 ZINC001246043210 825629604 /nfs/dbraw/zinc/62/96/04/825629604.db2.gz AXDBBNZTLNODSE-VHDGCEQUSA-N 3 2 297.399 -0.815 20 0 CBADLP CCOC(=O)[C@]12C[N@@H+](C[C@]3(O)CC[NH2+]C3)C[C@H]1C[NH2+]CC2 ZINC001246043210 825629611 /nfs/dbraw/zinc/62/96/11/825629611.db2.gz AXDBBNZTLNODSE-VHDGCEQUSA-N 3 2 297.399 -0.815 20 0 CBADLP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@H]2C[NH2+]CCC2(F)F)CN1 ZINC001246086123 825634866 /nfs/dbraw/zinc/63/48/66/825634866.db2.gz BVTSKXBHEKFMLM-UTLUCORTSA-N 2 2 277.315 -0.276 20 0 CBADLP COC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@@H]2C[C@@H](F)C[NH2+]2)CN1 ZINC001246112825 825636334 /nfs/dbraw/zinc/63/63/34/825636334.db2.gz SBBMNBVVIBAEEF-ZNSHCXBVSA-N 2 2 259.325 -0.430 20 0 CBADLP C[C@@H]1CC[C@@H]([NH2+]CCC(=O)N2CC[NH2+]CC2)C[NH2+]1 ZINC001246107207 825636467 /nfs/dbraw/zinc/63/64/67/825636467.db2.gz GTLNXINTYJWILF-VXGBXAGGSA-N 3 2 254.378 -0.462 20 0 CBADLP COC(=O)[C@@H]1C[C@@H]([NH2+]CCCn2cc[nH+]c2)CN1 ZINC001246097762 825636553 /nfs/dbraw/zinc/63/65/53/825636553.db2.gz MPMADPVQOQRCEW-MNOVXSKESA-N 2 2 252.318 -0.234 20 0 CBADLP COC(=O)[C@@H]1C[C@H](NC[C@@]2(F)CCCC[NH2+]C2)C[NH2+]1 ZINC001246116223 825637809 /nfs/dbraw/zinc/63/78/09/825637809.db2.gz WCFVILCLEJXUJQ-GMXVVIOVSA-N 2 2 273.352 -0.039 20 0 CBADLP COC(=O)[C@@H]1CC[C@H]([NH2+]C2C[C@@H]3COC[C@H](C2)[NH2+]3)CN1 ZINC001246136032 825639130 /nfs/dbraw/zinc/63/91/30/825639130.db2.gz URLSFWKPDSNFCG-ZZIFITQXSA-N 2 2 283.372 -0.611 20 0 CBADLP C([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001246148460 825641437 /nfs/dbraw/zinc/64/14/37/825641437.db2.gz SOXSEEMVWFKYBM-KBPBESRZSA-N 4 2 293.459 -0.456 20 0 CBADLP CCOC(=O)C1([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CCOCC1 ZINC001246154914 825643609 /nfs/dbraw/zinc/64/36/09/825643609.db2.gz WATWCZIEAXJQBZ-GFCCVEGCSA-N 2 2 297.399 -0.218 20 0 CBADLP C[NH+]1CCN(C(=O)CC[NH2+]C2CC[NH2+]CC2)CC1 ZINC001246256885 825656614 /nfs/dbraw/zinc/65/66/14/825656614.db2.gz RLQBRXSVKUVAAB-UHFFFAOYSA-N 3 2 254.378 -0.508 20 0 CBADLP COC(=O)[C@@H]1C[C@H]([NH2+]Cc2ncn3c2C[NH2+]CCC3)CN1 ZINC001246250929 825656678 /nfs/dbraw/zinc/65/66/78/825656678.db2.gz XZTGTLISESIUKW-QWRGUYRKSA-N 2 2 293.371 -0.631 20 0 CBADLP COC(=O)[C@@H]1C[C@H](NCc2ncn3c2C[NH2+]CCC3)C[NH2+]1 ZINC001246250929 825656682 /nfs/dbraw/zinc/65/66/82/825656682.db2.gz XZTGTLISESIUKW-QWRGUYRKSA-N 2 2 293.371 -0.631 20 0 CBADLP COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)[C@H]2C[NH2+]CCO2)CN1 ZINC001246289316 825660416 /nfs/dbraw/zinc/66/04/16/825660416.db2.gz CJMMAAGOUXBSQB-FIQHERPVSA-N 2 2 271.361 -0.754 20 0 CBADLP COC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)[C@H]2C[NH2+]CCO2)CN1 ZINC001246289317 825660709 /nfs/dbraw/zinc/66/07/09/825660709.db2.gz CJMMAAGOUXBSQB-NOOOWODRSA-N 2 2 271.361 -0.754 20 0 CBADLP CCOC(=O)CN1CCC([NH2+][C@H]2C[NH2+]C[C@H]2CO)CC1 ZINC001246300272 825661820 /nfs/dbraw/zinc/66/18/20/825661820.db2.gz QTYSLIOFHNPLQA-AAEUAGOBSA-N 2 2 285.388 -0.816 20 0 CBADLP OC[C@@H]1C[NH2+]C[C@@H]1[NH2+][C@@H]1CCN[C@H](C(F)(F)F)C1 ZINC001246303047 825661846 /nfs/dbraw/zinc/66/18/46/825661846.db2.gz DRKIISFCVYVBLR-JXUBOQSCSA-N 2 2 267.295 -0.161 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](N[C@@H]2C[NH2+]CCC2(C)C)C[NH2+]1 ZINC001246324991 825664830 /nfs/dbraw/zinc/66/48/30/825664830.db2.gz IITRRGPWKDOYQG-OUAUKWLOSA-N 2 2 255.362 -0.132 20 0 CBADLP O=C1C=CC(=O)N1CCOCC[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246349254 825667938 /nfs/dbraw/zinc/66/79/38/825667938.db2.gz BLQKDAZDGMLTMJ-LLVKDONJSA-N 2 2 267.329 -0.730 20 0 CBADLP CC[C@]1(C(=O)OC)C[C@H](N[C@H]2CC23C[NH2+]C3)C[NH2+]1 ZINC001246443858 825672650 /nfs/dbraw/zinc/67/26/50/825672650.db2.gz FDDFKSCZILAWHM-OUJBWJOFSA-N 2 2 253.346 -0.378 20 0 CBADLP CCOC(=O)[C@H](N)C[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001246415499 825672847 /nfs/dbraw/zinc/67/28/47/825672847.db2.gz CVRNKTOQHIUNPC-VXGBXAGGSA-N 2 2 255.362 -0.049 20 0 CBADLP COC[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](C(=O)OC)NC2)C[NH2+]1 ZINC001246463539 825675079 /nfs/dbraw/zinc/67/50/79/825675079.db2.gz GXGSAWZFWKOPQL-USZNOCQGSA-N 2 2 271.361 -0.754 20 0 CBADLP COC[C@@H]1C[C@@H]([NH2+][C@@H]2CC[C@@H](C(=O)OC)NC2)C[NH2+]1 ZINC001246463541 825675191 /nfs/dbraw/zinc/67/51/91/825675191.db2.gz GXGSAWZFWKOPQL-WYUUTHIRSA-N 2 2 271.361 -0.754 20 0 CBADLP CC(C)[C@H](NC(=O)[C@H](C)[NH2+][C@@H]1CC[NH2+][C@@H](C)C1)C(N)=O ZINC001246484010 825676100 /nfs/dbraw/zinc/67/61/00/825676100.db2.gz WTUQEWJYQIFFDS-YFKTTZPYSA-N 2 2 284.404 -0.269 20 0 CBADLP COC(=O)[C@@H]1C[C@H]([NH2+][C@@H]2C=C[C@@H]3C[NH2+]C[C@@H]23)CN1 ZINC001246473462 825676378 /nfs/dbraw/zinc/67/63/78/825676378.db2.gz IWTZBAQUZFZLDM-ROHXPCBUSA-N 2 2 251.330 -0.747 20 0 CBADLP COC(=O)[C@@H]1C[C@H](N[C@@H]2C=C[C@@H]3C[NH2+]C[C@@H]23)C[NH2+]1 ZINC001246473462 825676381 /nfs/dbraw/zinc/67/63/81/825676381.db2.gz IWTZBAQUZFZLDM-ROHXPCBUSA-N 2 2 251.330 -0.747 20 0 CBADLP COC(=O)[C@@H]1C[C@H](N2CCC([NH+]3CCOCC3)CC2)C[NH2+]1 ZINC001246524250 825680419 /nfs/dbraw/zinc/68/04/19/825680419.db2.gz GUFYSSUGMKWKNT-KBPBESRZSA-N 2 2 297.399 -0.314 20 0 CBADLP COC(=O)[C@@H]1CC[C@@H]([N@@H+]2CCO[C@H](CC[NH3+])C2)CN1 ZINC001246534126 825681285 /nfs/dbraw/zinc/68/12/85/825681285.db2.gz GRXVLIYHOZQJDZ-UTUOFQBUSA-N 2 2 271.361 -0.670 20 0 CBADLP COC(=O)[C@@H]1CC[C@@H]([N@H+]2CCO[C@H](CC[NH3+])C2)CN1 ZINC001246534126 825681291 /nfs/dbraw/zinc/68/12/91/825681291.db2.gz GRXVLIYHOZQJDZ-UTUOFQBUSA-N 2 2 271.361 -0.670 20 0 CBADLP C[N@H+](C[C@@H]1C[NH2+]CCO1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246556056 825685180 /nfs/dbraw/zinc/68/51/80/825685180.db2.gz HMNUAIAFLQOQCM-NEPJUHHUSA-N 3 2 254.378 -0.999 20 0 CBADLP C[N@@H+](C[C@@H]1C[NH2+]CCO1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246556056 825685183 /nfs/dbraw/zinc/68/51/83/825685183.db2.gz HMNUAIAFLQOQCM-NEPJUHHUSA-N 3 2 254.378 -0.999 20 0 CBADLP COC(=O)[C@@H]1CC[C@H](N2CC[NH2+]C3(CC[NH2+]CC3)C2)CN1 ZINC001246593699 825692043 /nfs/dbraw/zinc/69/20/43/825692043.db2.gz HOHWNAQXZSJOAY-STQMWFEESA-N 2 2 296.415 -0.693 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](N2CCC3(CC2)C[NH2+]CCO3)C[NH2+]1 ZINC001246603232 825693890 /nfs/dbraw/zinc/69/38/90/825693890.db2.gz NGDZOTFXOZTKSJ-NEPJUHHUSA-N 2 2 283.372 -0.656 20 0 CBADLP COC(=O)[C@@H]1C[C@H](F)C[N@@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246605900 825694456 /nfs/dbraw/zinc/69/44/56/825694456.db2.gz RTJYFYZTHQWZIP-DCAQKATOSA-N 2 2 271.336 -0.334 20 0 CBADLP COC(=O)[C@@H]1C[C@H](F)C[N@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246605900 825694461 /nfs/dbraw/zinc/69/44/61/825694461.db2.gz RTJYFYZTHQWZIP-DCAQKATOSA-N 2 2 271.336 -0.334 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](N2CC[C@H]3C[NH2+]CC[C@H]32)C[NH2+]1 ZINC001246625006 825696328 /nfs/dbraw/zinc/69/63/28/825696328.db2.gz QORGSYKEEDTQKR-WHOHXGKFSA-N 2 2 253.346 -0.426 20 0 CBADLP COC(=O)[C@@H]1CC[C@H]([N@@H+]2CCC3(C[NH2+]C3)C2)CN1 ZINC001246628857 825697996 /nfs/dbraw/zinc/69/79/96/825697996.db2.gz DVHLCMAQFRMPSH-QWRGUYRKSA-N 2 2 253.346 -0.425 20 0 CBADLP COC(=O)[C@@H]1CC[C@H]([N@H+]2CCC3(C[NH2+]C3)C2)CN1 ZINC001246628857 825698000 /nfs/dbraw/zinc/69/80/00/825698000.db2.gz DVHLCMAQFRMPSH-QWRGUYRKSA-N 2 2 253.346 -0.425 20 0 CBADLP CS(=O)(=O)N1CCC([N@@H+]2CC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC001246639287 825701627 /nfs/dbraw/zinc/70/16/27/825701627.db2.gz PJFYZFZPTFDAAQ-VXGBXAGGSA-N 2 2 273.402 -0.153 20 0 CBADLP CS(=O)(=O)N1CCC([N@H+]2CC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC001246639287 825701635 /nfs/dbraw/zinc/70/16/35/825701635.db2.gz PJFYZFZPTFDAAQ-VXGBXAGGSA-N 2 2 273.402 -0.153 20 0 CBADLP COCC[NH+]1CCN([C@@H]2C[NH2+][C@H](C(=O)OC)C2)CC1 ZINC001246677906 825706325 /nfs/dbraw/zinc/70/63/25/825706325.db2.gz ADPLEGDGSOVXLP-RYUDHWBXSA-N 2 2 271.361 -0.846 20 0 CBADLP COCc1nn([C@H]2CC[NH2+]C3(CNC3)C2)c2c1C[NH2+]C2 ZINC001246712150 825707370 /nfs/dbraw/zinc/70/73/70/825707370.db2.gz FEXZFKFTCDGMCB-JTQLQIEISA-N 2 2 277.372 -0.101 20 0 CBADLP C([C@H]1CCCO1)[NH+]1CCN([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246778670 825710381 /nfs/dbraw/zinc/71/03/81/825710381.db2.gz WPTVDTJGYDYYJJ-HUUCEWRRSA-N 2 2 294.443 -0.123 20 0 CBADLP COC(=O)[C@@H]1C[C@H](N2CC([NH+]3CCCC3)C2)C[NH2+]1 ZINC001246802761 825713813 /nfs/dbraw/zinc/71/38/13/825713813.db2.gz WJJRYEQWIWMNSL-JQWIXIFHSA-N 2 2 253.346 -0.330 20 0 CBADLP COC(=O)[C@@H]1C[C@H](n2ccc([C@@H]3CCC[NH2+]3)nc2=N)C[NH2+]1 ZINC001246810161 825715257 /nfs/dbraw/zinc/71/52/57/825715257.db2.gz YRBPPSXKNDMCRR-NHCYSSNCSA-N 2 2 291.355 -0.137 20 0 CBADLP COCCC[NH+]1CCN([C@@H]2C[NH2+][C@H](C(=O)OC)C2)CC1 ZINC001246821658 825716641 /nfs/dbraw/zinc/71/66/41/825716641.db2.gz ZNQSPVWBMMFXDY-STQMWFEESA-N 2 2 285.388 -0.456 20 0 CBADLP COC(=O)[C@@H]1C[C@H](N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)C[NH2+]1 ZINC001246839475 825719298 /nfs/dbraw/zinc/71/92/98/825719298.db2.gz CRESNZOWBYAMHN-FIQHERPVSA-N 2 2 253.346 -0.474 20 0 CBADLP COC(=O)[C@@H]1C[C@H](N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)C[NH2+]1 ZINC001246839475 825719300 /nfs/dbraw/zinc/71/93/00/825719300.db2.gz CRESNZOWBYAMHN-FIQHERPVSA-N 2 2 253.346 -0.474 20 0 CBADLP CC[C@]1(C(=O)OC)C[C@@H](N(C)CCN2CC[NH2+]CC2)C[NH2+]1 ZINC001246871363 825725490 /nfs/dbraw/zinc/72/54/90/825725490.db2.gz QVYMNVKDBLYUPA-UKRRQHHQSA-N 2 2 298.431 -0.493 20 0 CBADLP CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2C[C@@H]3C[C@]3([NH3+])C2)CN1 ZINC001246868692 825726032 /nfs/dbraw/zinc/72/60/32/825726032.db2.gz KLKPSOUUTUHWLQ-ZPFDUUQYSA-N 2 2 253.346 -0.297 20 0 CBADLP CCOC(=O)[C@@H]1CC[C@H]([N@H+]2C[C@@H]3C[C@]3([NH3+])C2)CN1 ZINC001246868692 825726033 /nfs/dbraw/zinc/72/60/33/825726033.db2.gz KLKPSOUUTUHWLQ-ZPFDUUQYSA-N 2 2 253.346 -0.297 20 0 CBADLP COC(=O)[C@@H]1C[N@@H+]([C@H]2CC[NH2+][C@@H](C)C2)CCN1C ZINC001246871395 825726937 /nfs/dbraw/zinc/72/69/37/825726937.db2.gz ZIBSHUOOTSETSW-SRVKXCTJSA-N 2 2 255.362 -0.084 20 0 CBADLP COC(=O)[C@@H]1C[N@H+]([C@H]2CC[NH2+][C@@H](C)C2)CCN1C ZINC001246871395 825726940 /nfs/dbraw/zinc/72/69/40/825726940.db2.gz ZIBSHUOOTSETSW-SRVKXCTJSA-N 2 2 255.362 -0.084 20 0 CBADLP CS(=O)(=O)N1CCC([N@@H+]2C[C@H]3C[C@@]3([NH3+])C2)CC1 ZINC001246876440 825727367 /nfs/dbraw/zinc/72/73/67/825727367.db2.gz ZKXGLFPTMQTESA-MWLCHTKSSA-N 2 2 259.375 -0.557 20 0 CBADLP CS(=O)(=O)N1CCC([N@H+]2C[C@H]3C[C@@]3([NH3+])C2)CC1 ZINC001246876440 825727370 /nfs/dbraw/zinc/72/73/70/825727370.db2.gz ZKXGLFPTMQTESA-MWLCHTKSSA-N 2 2 259.375 -0.557 20 0 CBADLP COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246910849 825730105 /nfs/dbraw/zinc/73/01/05/825730105.db2.gz MJTDSYXVWTYTCL-UTUOFQBUSA-N 2 2 283.372 -0.120 20 0 CBADLP COC(=O)CNC(=O)[C@@H]1CCC[N@H+]1[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246910849 825730111 /nfs/dbraw/zinc/73/01/11/825730111.db2.gz MJTDSYXVWTYTCL-UTUOFQBUSA-N 2 2 283.372 -0.120 20 0 CBADLP COC(=O)[C@@H]([NH3+])[C@@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC001246920824 825731001 /nfs/dbraw/zinc/73/10/01/825731001.db2.gz JYWCWGAXHUWITI-PWSUYJOCSA-N 2 2 255.362 -0.049 20 0 CBADLP COC(=O)[C@H]1C[N@@H+](C2CCC3(C[NH2+]C3)CC2)C[C@@H]1[NH3+] ZINC001246934685 825734384 /nfs/dbraw/zinc/73/43/84/825734384.db2.gz VWGQTKMXWMUYFJ-RYUDHWBXSA-N 3 2 267.373 -0.049 20 0 CBADLP COC(=O)[C@H]1C[N@H+](C2CCC3(C[NH2+]C3)CC2)C[C@@H]1[NH3+] ZINC001246934685 825734389 /nfs/dbraw/zinc/73/43/89/825734389.db2.gz VWGQTKMXWMUYFJ-RYUDHWBXSA-N 3 2 267.373 -0.049 20 0 CBADLP C[NH2+]C1CCC([N@@H+]2C[C@@H]([NH3+])[C@@H](C(=O)OC)C2)CC1 ZINC001246935882 825734578 /nfs/dbraw/zinc/73/45/78/825734578.db2.gz ZHMQFUIRSRPODF-MMVSWEMESA-N 3 2 255.362 -0.051 20 0 CBADLP C[NH2+]C1CCC([N@H+]2C[C@@H]([NH3+])[C@@H](C(=O)OC)C2)CC1 ZINC001246935882 825734581 /nfs/dbraw/zinc/73/45/81/825734581.db2.gz ZHMQFUIRSRPODF-MMVSWEMESA-N 3 2 255.362 -0.051 20 0 CBADLP COC(=O)[C@@H]1C[N@@H+](C2C[C@@H]3C=C[C@H](C2)O3)C[C@H]1[NH3+] ZINC001246931851 825734664 /nfs/dbraw/zinc/73/46/64/825734664.db2.gz FJTUHQOBJTVOBB-UPUXHGCUSA-N 2 2 252.314 -0.096 20 0 CBADLP COC(=O)[C@@H]1C[N@H+](C2C[C@@H]3C=C[C@H](C2)O3)C[C@H]1[NH3+] ZINC001246931851 825734667 /nfs/dbraw/zinc/73/46/67/825734667.db2.gz FJTUHQOBJTVOBB-UPUXHGCUSA-N 2 2 252.314 -0.096 20 0 CBADLP CC[N@H+]1CCN([C@H]2C[NH2+][C@H](C(=O)OC)C2)[C@H](C)C1 ZINC001246991502 825741086 /nfs/dbraw/zinc/74/10/86/825741086.db2.gz BFPIGEPVAYAKQW-UTUOFQBUSA-N 2 2 255.362 -0.084 20 0 CBADLP CC[N@@H+]1CCN([C@H]2C[NH2+][C@H](C(=O)OC)C2)[C@H](C)C1 ZINC001246991502 825741083 /nfs/dbraw/zinc/74/10/83/825741083.db2.gz BFPIGEPVAYAKQW-UTUOFQBUSA-N 2 2 255.362 -0.084 20 0 CBADLP CC[N@@H+]1CCN([C@H]2C[NH2+][C@H](C(=O)OC)C2)C[C@H]1C ZINC001247003998 825743028 /nfs/dbraw/zinc/74/30/28/825743028.db2.gz XYCXXZNTZDYOGO-UTUOFQBUSA-N 2 2 255.362 -0.084 20 0 CBADLP CC[N@H+]1CCN([C@H]2C[NH2+][C@H](C(=O)OC)C2)C[C@H]1C ZINC001247003998 825743032 /nfs/dbraw/zinc/74/30/32/825743032.db2.gz XYCXXZNTZDYOGO-UTUOFQBUSA-N 2 2 255.362 -0.084 20 0 CBADLP C[N@H+](C1CN(C[C@H](O)C[NH+]2CCOCC2)C1)[C@H]1CCOC1 ZINC001251018430 825763653 /nfs/dbraw/zinc/76/36/53/825763653.db2.gz ILVHNLACHKDFQQ-DZGCQCFKSA-N 2 2 299.415 -0.916 20 0 CBADLP C[N@@H+](C1CN(C[C@H](O)C[NH+]2CCOCC2)C1)[C@H]1CCOC1 ZINC001251018430 825763656 /nfs/dbraw/zinc/76/36/56/825763656.db2.gz ILVHNLACHKDFQQ-DZGCQCFKSA-N 2 2 299.415 -0.916 20 0 CBADLP CC(C)C[N@@H+]1CC[C@H](NC[C@H](O)C[NH+]2CCOCC2)C1 ZINC001251045367 825770740 /nfs/dbraw/zinc/77/07/40/825770740.db2.gz HHIOELHYZTZUAN-GJZGRUSLSA-N 2 2 285.432 -0.001 20 0 CBADLP CC(C)C[N@H+]1CC[C@H](NC[C@H](O)C[NH+]2CCOCC2)C1 ZINC001251045367 825770742 /nfs/dbraw/zinc/77/07/42/825770742.db2.gz HHIOELHYZTZUAN-GJZGRUSLSA-N 2 2 285.432 -0.001 20 0 CBADLP CCCC[C@@H](O)C[NH2+][C@@H](Cc1c[nH+]c[nH]1)C(N)=O ZINC001252120602 825832194 /nfs/dbraw/zinc/83/21/94/825832194.db2.gz YZUBOKPEUSOZMY-MNOVXSKESA-N 2 2 254.334 -0.053 20 0 CBADLP COC(=O)[C@H](O)C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC001252428553 825854606 /nfs/dbraw/zinc/85/46/06/825854606.db2.gz RVEVNBKGNUQWIG-CYBMUJFWSA-N 2 2 285.388 -0.766 20 0 CBADLP COC[C@@H](O)C[NH2+]CCC(=O)NCCc1c[nH]c[nH+]1 ZINC001252828499 825891922 /nfs/dbraw/zinc/89/19/22/825891922.db2.gz MJLZQOVCSNHGAI-NSHDSACASA-N 2 2 270.333 -0.945 20 0 CBADLP COC[C@@H](O)C[NH2+]CCC(=O)NCCc1c[nH+]c[nH]1 ZINC001252828499 825891927 /nfs/dbraw/zinc/89/19/27/825891927.db2.gz MJLZQOVCSNHGAI-NSHDSACASA-N 2 2 270.333 -0.945 20 0 CBADLP CC[NH+](CC)C[C@H](O)CN1CC([N@H+](C)C2COC2)C1 ZINC001253188176 825902470 /nfs/dbraw/zinc/90/24/70/825902470.db2.gz RKQRSULEHAQXJF-AWEZNQCLSA-N 2 2 271.405 -0.296 20 0 CBADLP CC[NH+](CC)C[C@H](O)CN1CC([N@@H+](C)C2COC2)C1 ZINC001253188176 825902471 /nfs/dbraw/zinc/90/24/71/825902471.db2.gz RKQRSULEHAQXJF-AWEZNQCLSA-N 2 2 271.405 -0.296 20 0 CBADLP CC[NH+](CC)C[C@H](O)CN[C@@H](Cc1c[nH]c[nH+]1)C(=O)OC ZINC001253203520 825904721 /nfs/dbraw/zinc/90/47/21/825904721.db2.gz VHAIWNVCSGKVPD-OLZOCXBDSA-N 2 2 298.387 -0.214 20 0 CBADLP CC[NH+](CC)C[C@H](O)CN[C@@H](Cc1c[nH+]c[nH]1)C(=O)OC ZINC001253203520 825904723 /nfs/dbraw/zinc/90/47/23/825904723.db2.gz VHAIWNVCSGKVPD-OLZOCXBDSA-N 2 2 298.387 -0.214 20 0 CBADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CC[C@](C)(CO)[C@H](O)C1 ZINC001253390944 825912253 /nfs/dbraw/zinc/91/22/53/825912253.db2.gz ZOAORHQKEMQOBU-YRGRVCCFSA-N 2 2 274.405 -0.199 20 0 CBADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CC[C@](C)(CO)[C@H](O)C1 ZINC001253390944 825912257 /nfs/dbraw/zinc/91/22/57/825912257.db2.gz ZOAORHQKEMQOBU-YRGRVCCFSA-N 2 2 274.405 -0.199 20 0 CBADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CCOC[C@@](C)(O)C1 ZINC001253390958 825912842 /nfs/dbraw/zinc/91/28/42/825912842.db2.gz ZZGNRQUVJRHHJQ-YPMHNXCESA-N 2 2 260.378 -0.181 20 0 CBADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CC[C@@](C)(CO)[C@H](O)C1 ZINC001253390941 825912508 /nfs/dbraw/zinc/91/25/08/825912508.db2.gz ZOAORHQKEMQOBU-BZPMIXESSA-N 2 2 274.405 -0.199 20 0 CBADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CC[C@@](C)(CO)[C@H](O)C1 ZINC001253390941 825912514 /nfs/dbraw/zinc/91/25/14/825912514.db2.gz ZOAORHQKEMQOBU-BZPMIXESSA-N 2 2 274.405 -0.199 20 0 CBADLP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]C1(C(N)=O)CCOCC1 ZINC001253406292 825914070 /nfs/dbraw/zinc/91/40/70/825914070.db2.gz FRHYUYBPHGRUIM-SNVBAGLBSA-N 2 2 273.377 -0.641 20 0 CBADLP C[NH+]1CCN(C(=[NH2+])NC[C@H](O)C[NH2+]C(C)(C)C)CC1 ZINC001253406208 825914284 /nfs/dbraw/zinc/91/42/84/825914284.db2.gz CTJUOVLMJGHJEL-NSHDSACASA-N 3 2 271.409 -0.493 20 0 CBADLP CCOC(=O)C[NH+]1CCC(n2cnc(CC[NH3+])n2)CC1 ZINC001254394971 825961176 /nfs/dbraw/zinc/96/11/76/825961176.db2.gz YPADZXZPZAGANW-UHFFFAOYSA-N 2 2 281.360 -0.021 20 0 CBADLP O=C1C=CC(=O)N1CC[NH2+][C@H]1CC2CC[NH+](CC2)C1 ZINC001254839815 825969315 /nfs/dbraw/zinc/96/93/15/825969315.db2.gz WFBBCIVHIGQGBG-LBPRGKRZSA-N 2 2 263.341 -0.015 20 0 CBADLP COC(=O)[C@H](Cc1c[nH+]cn1C)N[C@H]1CC[N@H+](C)C1 ZINC001255419018 825980933 /nfs/dbraw/zinc/98/09/33/825980933.db2.gz GHQCVLRDNKCSBL-JQWIXIFHSA-N 2 2 266.345 -0.202 20 0 CBADLP COC(=O)[C@H](Cc1c[nH+]cn1C)N[C@H]1CC[N@@H+](C)C1 ZINC001255419018 825980938 /nfs/dbraw/zinc/98/09/38/825980938.db2.gz GHQCVLRDNKCSBL-JQWIXIFHSA-N 2 2 266.345 -0.202 20 0 CBADLP C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]C[C@@H](O)C[NH3+] ZINC001255796937 825993064 /nfs/dbraw/zinc/99/30/64/825993064.db2.gz JKGGWAANWWJMRD-QWRGUYRKSA-N 2 2 272.370 -0.242 20 0 CBADLP C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]C[C@@H](O)C[NH3+] ZINC001255796936 825994107 /nfs/dbraw/zinc/99/41/07/825994107.db2.gz JKGGWAANWWJMRD-MNOVXSKESA-N 2 2 272.370 -0.242 20 0 CBADLP C[NH+]1CCC([NH2+]CCC[NH+](CCO)CCO)CC1 ZINC001256195061 826004186 /nfs/dbraw/zinc/00/41/86/826004186.db2.gz YMJSYRVPRMRIAS-UHFFFAOYSA-N 3 2 259.394 -0.653 20 0 CBADLP CC(=O)N1CC(=O)NC[C@@]12CC[N@@H+](C1CC[NH+](C)CC1)C2 ZINC001256207784 826004624 /nfs/dbraw/zinc/00/46/24/826004624.db2.gz QJZRAFRWRQSTLB-OAHLLOKOSA-N 2 2 294.399 -0.497 20 0 CBADLP CC(=O)N1CC(=O)NC[C@@]12CC[N@H+](C1CC[NH+](C)CC1)C2 ZINC001256207784 826004630 /nfs/dbraw/zinc/00/46/30/826004630.db2.gz QJZRAFRWRQSTLB-OAHLLOKOSA-N 2 2 294.399 -0.497 20 0 CBADLP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)C(=O)NCC(N)=O ZINC001256567749 826025443 /nfs/dbraw/zinc/02/54/43/826025443.db2.gz YYJSAAIUBKTQHK-JTQLQIEISA-N 2 2 284.404 -0.171 20 0 CBADLP C[C@@H]1C[C@@H](NC(=O)C(=O)NCCn2cc[nH+]c2)CC[N@@H+]1C ZINC001256874911 826035431 /nfs/dbraw/zinc/03/54/31/826035431.db2.gz XOABJIQITCUTPR-NEPJUHHUSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@@H]1C[C@@H](NC(=O)C(=O)NCCn2cc[nH+]c2)CC[N@H+]1C ZINC001256874911 826035437 /nfs/dbraw/zinc/03/54/37/826035437.db2.gz XOABJIQITCUTPR-NEPJUHHUSA-N 2 2 293.371 -0.402 20 0 CBADLP CCC[NH+]1CCC([NH2+][C@@H](C)C(=O)N[C@@H](C)C(N)=O)CC1 ZINC001258770378 826069187 /nfs/dbraw/zinc/06/91/87/826069187.db2.gz IQJWGUXBYSQCDG-QWRGUYRKSA-N 2 2 284.404 -0.171 20 0 CBADLP C[C@H]([NH2+]C1CC1)C(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001261501945 826527772 /nfs/dbraw/zinc/52/77/72/826527772.db2.gz SSPMURCBLKURMN-ONGXEEELSA-N 2 2 268.361 -0.807 20 0 CBADLP C[C@H]([NH2+]C1CC1)C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001261501945 826527776 /nfs/dbraw/zinc/52/77/76/826527776.db2.gz SSPMURCBLKURMN-ONGXEEELSA-N 2 2 268.361 -0.807 20 0 CBADLP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC001261824640 826590214 /nfs/dbraw/zinc/59/02/14/826590214.db2.gz FMFCCEFXXKSDFE-LLVKDONJSA-N 2 2 291.355 -0.475 20 0 CBADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@H](C)[NH+](C)C ZINC001262006270 826617208 /nfs/dbraw/zinc/61/72/08/826617208.db2.gz IZJDZKURYXRIJM-VHSXEESVSA-N 2 2 257.334 -0.700 20 0 CBADLP Cn1c[nH+]cc1CC[N@H+]1C[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC001262328087 826676747 /nfs/dbraw/zinc/67/67/47/826676747.db2.gz BDKWRVZMRIAMLR-PHIMTYICSA-N 2 2 269.370 -0.061 20 0 CBADLP Cn1c[nH+]cc1CC[N@@H+]1C[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC001262328087 826676752 /nfs/dbraw/zinc/67/67/52/826676752.db2.gz BDKWRVZMRIAMLR-PHIMTYICSA-N 2 2 269.370 -0.061 20 0 CBADLP [NH3+]C[C@@H](O)CC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC001263115840 826740586 /nfs/dbraw/zinc/74/05/86/826740586.db2.gz GCXPKJNUOPPTJE-QWRGUYRKSA-N 2 2 264.329 -0.514 20 0 CBADLP C[NH2+]C[C@@H](O)CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001263170700 826748394 /nfs/dbraw/zinc/74/83/94/826748394.db2.gz WPTVWKJLKKGJCJ-SECBINFHSA-N 2 2 254.334 -0.274 20 0 CBADLP [NH3+][C@H](CO)C(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC001263186663 826751575 /nfs/dbraw/zinc/75/15/75/826751575.db2.gz LBIYMWYUZKHPTK-LLVKDONJSA-N 2 2 264.329 -0.196 20 0 CBADLP C[C@@H](C(=O)N1CC[C@@H](CC[NH3+])C1)[NH+]1CCN(C)CC1 ZINC001263212736 826753991 /nfs/dbraw/zinc/75/39/91/826753991.db2.gz BAIICDMHNYDTNI-QWHCGFSZSA-N 2 2 268.405 -0.180 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@H]1C[C@H]([NH2+]CCO)C1 ZINC001263880677 826789349 /nfs/dbraw/zinc/78/93/49/826789349.db2.gz WYWMITAIWXVKHY-XYPYZODXSA-N 2 2 252.318 -0.640 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)NCCC[N@H+](C)CC(N)=O ZINC001265064286 826841489 /nfs/dbraw/zinc/84/14/89/826841489.db2.gz YLFZCECWAJQSOV-UHFFFAOYSA-N 2 2 281.360 -0.724 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)NCCC[N@@H+](C)CC(N)=O ZINC001265064286 826841501 /nfs/dbraw/zinc/84/15/01/826841501.db2.gz YLFZCECWAJQSOV-UHFFFAOYSA-N 2 2 281.360 -0.724 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC[C@H]([NH2+]CCCO)C1CC1 ZINC001265378344 826888230 /nfs/dbraw/zinc/88/82/30/826888230.db2.gz JVVXWKSYZDPENK-ZDUSSCGKSA-N 2 2 280.372 -0.171 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+](C)CCCNC(=O)Cc1c[nH+]cn1C ZINC001265953985 826941422 /nfs/dbraw/zinc/94/14/22/826941422.db2.gz IQYXBKUIXSXAND-LBPRGKRZSA-N 2 2 295.387 -0.335 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+](C)CCCNC(=O)Cc1c[nH+]cn1C ZINC001265953985 826941427 /nfs/dbraw/zinc/94/14/27/826941427.db2.gz IQYXBKUIXSXAND-LBPRGKRZSA-N 2 2 295.387 -0.335 20 0 CBADLP CN1CC[C@H]([N@H+](C)CCCNC(=O)Cn2cc[nH+]c2)C1=O ZINC001265984350 826944736 /nfs/dbraw/zinc/94/47/36/826944736.db2.gz SLJNMCXNJMQCHH-LBPRGKRZSA-N 2 2 293.371 -0.448 20 0 CBADLP CN1CC[C@H]([N@@H+](C)CCCNC(=O)Cn2cc[nH+]c2)C1=O ZINC001265984350 826944739 /nfs/dbraw/zinc/94/47/39/826944739.db2.gz SLJNMCXNJMQCHH-LBPRGKRZSA-N 2 2 293.371 -0.448 20 0 CBADLP C[C@@H]([NH2+][C@@H](C)CCNC(=O)Cc1[nH]cc[nH+]1)C(N)=O ZINC001266180637 826960002 /nfs/dbraw/zinc/96/00/02/826960002.db2.gz KJVFYVLJIIOYMO-DTWKUNHWSA-N 2 2 267.333 -0.690 20 0 CBADLP CNC(=O)C[NH2+][C@H](C)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001266180848 826960725 /nfs/dbraw/zinc/96/07/25/826960725.db2.gz OMXNIVRFBBHGFU-SECBINFHSA-N 2 2 267.333 -0.817 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)N1CC[C@H]([NH2+]CCOCCO)C1 ZINC001266530551 827018833 /nfs/dbraw/zinc/01/88/33/827018833.db2.gz IIGMERJUOXKRAG-ZDUSSCGKSA-N 2 2 296.371 -0.458 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)N1CC[C@H]([NH2+]CCOCCO)C1 ZINC001266530551 827018843 /nfs/dbraw/zinc/01/88/43/827018843.db2.gz IIGMERJUOXKRAG-ZDUSSCGKSA-N 2 2 296.371 -0.458 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NCC[N@@H+](CCO)C1CC1 ZINC001266615432 827032484 /nfs/dbraw/zinc/03/24/84/827032484.db2.gz JCGZGPCMEXNTLE-UHFFFAOYSA-N 2 2 252.318 -0.475 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NCC[N@H+](CCO)C1CC1 ZINC001266615432 827032495 /nfs/dbraw/zinc/03/24/95/827032495.db2.gz JCGZGPCMEXNTLE-UHFFFAOYSA-N 2 2 252.318 -0.475 20 0 CBADLP CN(CC[NH2+]CCCO)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001266749492 827063622 /nfs/dbraw/zinc/06/36/22/827063622.db2.gz USXJVDBQSCZRBK-LBPRGKRZSA-N 2 2 280.372 -0.124 20 0 CBADLP CCC[N@H+](C)CC(=O)N(C)CC[NH2+]Cc1nnnn1C ZINC001267005112 827106431 /nfs/dbraw/zinc/10/64/31/827106431.db2.gz SZWQEISJWKLTMR-UHFFFAOYSA-N 2 2 283.380 -0.900 20 0 CBADLP CCC[N@@H+](C)CC(=O)N(C)CC[NH2+]Cc1nnnn1C ZINC001267005112 827106434 /nfs/dbraw/zinc/10/64/34/827106434.db2.gz SZWQEISJWKLTMR-UHFFFAOYSA-N 2 2 283.380 -0.900 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N(C)CC[NH2+]Cc1cn(C)nn1 ZINC001267081338 827113130 /nfs/dbraw/zinc/11/31/30/827113130.db2.gz IQRBVKVTZZVOKM-UHFFFAOYSA-N 2 2 291.359 -0.432 20 0 CBADLP CNC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001267393030 827165110 /nfs/dbraw/zinc/16/51/10/827165110.db2.gz QIYGUHBUTGCOMU-LLVKDONJSA-N 2 2 293.371 -0.761 20 0 CBADLP CCN(C)C(=O)C[NH2+]CCN(C)C(=O)Cc1c[nH+]cn1C ZINC001267456337 827173628 /nfs/dbraw/zinc/17/36/28/827173628.db2.gz UELBCDDQQPYCGR-UHFFFAOYSA-N 2 2 295.387 -0.511 20 0 CBADLP CCC[N@H+](C)CC(=O)N(C)CC[NH2+]Cc1cnon1 ZINC001267458098 827173807 /nfs/dbraw/zinc/17/38/07/827173807.db2.gz IMENEDQRRNXMHQ-UHFFFAOYSA-N 2 2 269.349 -0.041 20 0 CBADLP CCC[N@@H+](C)CC(=O)N(C)CC[NH2+]Cc1cnon1 ZINC001267458098 827173809 /nfs/dbraw/zinc/17/38/09/827173809.db2.gz IMENEDQRRNXMHQ-UHFFFAOYSA-N 2 2 269.349 -0.041 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)C[NH2+]CCO ZINC001267989630 827239070 /nfs/dbraw/zinc/23/90/70/827239070.db2.gz DTPFIACJUJBJFY-NWDGAFQWSA-N 2 2 280.372 -0.220 20 0 CBADLP C[C@@H](C[NH2+]CCCO)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001268084840 827255409 /nfs/dbraw/zinc/25/54/09/827255409.db2.gz KHTBHMRVBUHYEZ-JTQLQIEISA-N 2 2 254.334 -0.229 20 0 CBADLP O=C(NC[C@@H](O)C[NH2+]CCO)c1cc2c[nH+]ccc2[nH]1 ZINC001268317780 827296741 /nfs/dbraw/zinc/29/67/41/827296741.db2.gz ZYRASXWMDFQSCA-JTQLQIEISA-N 2 2 278.312 -0.765 20 0 CBADLP C[C@@H](F)CC[NH2+]C[C@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001268336265 827307351 /nfs/dbraw/zinc/30/73/51/827307351.db2.gz CXNKVMANJAVDCO-MNOVXSKESA-N 2 2 272.324 -0.302 20 0 CBADLP CNC(=O)C[NH2+]CC[C@@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001268387868 827319377 /nfs/dbraw/zinc/31/93/77/827319377.db2.gz QVUQNBZFUBFFAO-LLVKDONJSA-N 2 2 295.387 -0.417 20 0 CBADLP CCN(CC[NH2+]CCO)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001268459312 827334644 /nfs/dbraw/zinc/33/46/44/827334644.db2.gz ANJKEGIRUSTQOG-LBPRGKRZSA-N 2 2 280.372 -0.124 20 0 CBADLP COCCC[NH+]1CC(NC(=O)C[NH+]2CCCC2)C1 ZINC001268484675 827339202 /nfs/dbraw/zinc/33/92/02/827339202.db2.gz KZIZTNWBXKUGRF-UHFFFAOYSA-N 2 2 255.362 -0.081 20 0 CBADLP CN(CCC[NH2+]CCO)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC001268881131 827435369 /nfs/dbraw/zinc/43/53/69/827435369.db2.gz NIAXEIWRUUHUGQ-UHFFFAOYSA-N 2 2 287.404 -0.472 20 0 CBADLP CC[C@@H](C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1)[NH+](C)C ZINC001269172531 827471593 /nfs/dbraw/zinc/47/15/93/827471593.db2.gz PBNOVDTWJKVZCQ-ZJUUUORDSA-N 2 2 256.350 -0.998 20 0 CBADLP CC[C@@H](C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1)[NH+](C)C ZINC001269172531 827471595 /nfs/dbraw/zinc/47/15/95/827471595.db2.gz PBNOVDTWJKVZCQ-ZJUUUORDSA-N 2 2 256.350 -0.998 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CCOCCO ZINC001269272924 827488153 /nfs/dbraw/zinc/48/81/53/827488153.db2.gz PKPZVEVBVZERGB-CHWSQXEVSA-N 2 2 285.388 -0.720 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CCOCCO ZINC001269272924 827488157 /nfs/dbraw/zinc/48/81/57/827488157.db2.gz PKPZVEVBVZERGB-CHWSQXEVSA-N 2 2 285.388 -0.720 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1CCOCCO ZINC001269272924 827488162 /nfs/dbraw/zinc/48/81/62/827488162.db2.gz PKPZVEVBVZERGB-CHWSQXEVSA-N 2 2 285.388 -0.720 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1CCOCCO ZINC001269272924 827488169 /nfs/dbraw/zinc/48/81/69/827488169.db2.gz PKPZVEVBVZERGB-CHWSQXEVSA-N 2 2 285.388 -0.720 20 0 CBADLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N2C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001270979102 827612059 /nfs/dbraw/zinc/61/20/59/827612059.db2.gz DAZKZHRVUWJYIL-HZSPNIEDSA-N 2 2 296.415 -0.836 20 0 CBADLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N2C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001270979102 827612066 /nfs/dbraw/zinc/61/20/66/827612066.db2.gz DAZKZHRVUWJYIL-HZSPNIEDSA-N 2 2 296.415 -0.836 20 0 CBADLP C[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)[C@H]1C[NH+](C)CCO1)C2 ZINC001270978026 827612173 /nfs/dbraw/zinc/61/21/73/827612173.db2.gz TUYLHMWWRNVHHB-GRYCIOLGSA-N 2 2 253.346 -0.378 20 0 CBADLP C[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)[C@H]1C[NH+](C)CCO1)C2 ZINC001270978026 827612177 /nfs/dbraw/zinc/61/21/77/827612177.db2.gz TUYLHMWWRNVHHB-GRYCIOLGSA-N 2 2 253.346 -0.378 20 0 CBADLP C[NH+]1[C@@H]2CC[C@H]1CN(C(=O)[C@H]1C[N@H+](C)CCO1)C2 ZINC001270978026 827612179 /nfs/dbraw/zinc/61/21/79/827612179.db2.gz TUYLHMWWRNVHHB-GRYCIOLGSA-N 2 2 253.346 -0.378 20 0 CBADLP C[NH+]1[C@@H]2CC[C@H]1CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C2 ZINC001270978026 827612181 /nfs/dbraw/zinc/61/21/81/827612181.db2.gz TUYLHMWWRNVHHB-GRYCIOLGSA-N 2 2 253.346 -0.378 20 0 CBADLP CC[NH+]1CC(O)(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001271304019 827690440 /nfs/dbraw/zinc/69/04/40/827690440.db2.gz REEXBDIJGOVPQO-NSHDSACASA-N 2 2 257.378 -0.245 20 0 CBADLP CC(C)[NH+]1CCN(CC(=O)N2CC3(CC[N@@H+]3C)C2)CC1 ZINC001271533650 827708786 /nfs/dbraw/zinc/70/87/86/827708786.db2.gz NWQKWMVUEBOQOS-UHFFFAOYSA-N 2 2 280.416 -0.071 20 0 CBADLP CC(C)[NH+]1CCN(CC(=O)N2CC3(CC[N@H+]3C)C2)CC1 ZINC001271533650 827708794 /nfs/dbraw/zinc/70/87/94/827708794.db2.gz NWQKWMVUEBOQOS-UHFFFAOYSA-N 2 2 280.416 -0.071 20 0 CBADLP C[C@H]([NH2+]CCO)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001271560593 827709885 /nfs/dbraw/zinc/70/98/85/827709885.db2.gz KUWPZAKGKJHGKT-NWDGAFQWSA-N 2 2 266.345 -0.298 20 0 CBADLP C[N@@H+]1C[C@@H](O)C[C@H]1C(=O)N1CCC[C@@]2(C1)C[NH+](C)CCO2 ZINC001272273860 827775784 /nfs/dbraw/zinc/77/57/84/827775784.db2.gz ZJCQPLSBYGXYOJ-YDHLFZDLSA-N 2 2 297.399 -0.625 20 0 CBADLP C[N@H+]1C[C@@H](O)C[C@H]1C(=O)N1CCC[C@@]2(C1)C[NH+](C)CCO2 ZINC001272273860 827775789 /nfs/dbraw/zinc/77/57/89/827775789.db2.gz ZJCQPLSBYGXYOJ-YDHLFZDLSA-N 2 2 297.399 -0.625 20 0 CBADLP C[NH+]1C[C@@H](O)C[C@H]1C(=O)N1CCC[C@@]2(C1)C[N@H+](C)CCO2 ZINC001272273860 827775796 /nfs/dbraw/zinc/77/57/96/827775796.db2.gz ZJCQPLSBYGXYOJ-YDHLFZDLSA-N 2 2 297.399 -0.625 20 0 CBADLP C[NH+]1C[C@@H](O)C[C@H]1C(=O)N1CCC[C@@]2(C1)C[N@@H+](C)CCO2 ZINC001272273860 827775801 /nfs/dbraw/zinc/77/58/01/827775801.db2.gz ZJCQPLSBYGXYOJ-YDHLFZDLSA-N 2 2 297.399 -0.625 20 0 CBADLP CC(C)(C(=O)N(CCO)CC[NH2+]CCO)c1c[nH+]c[nH]1 ZINC001272295352 827778265 /nfs/dbraw/zinc/77/82/65/827778265.db2.gz PNJGIBLHUCYGQK-UHFFFAOYSA-N 2 2 284.360 -0.910 20 0 CBADLP CC[NH2+]C[C@H](O)CNC(=O)Cc1c[nH+]ccc1OC ZINC001272454723 827800165 /nfs/dbraw/zinc/80/01/65/827800165.db2.gz PZHSUUOPMKQRRB-NSHDSACASA-N 2 2 267.329 -0.281 20 0 CBADLP O=C(NC[C@H](O)C[NH2+]CCCO)c1cc2c[nH+]ccc2[nH]1 ZINC001272451992 827800235 /nfs/dbraw/zinc/80/02/35/827800235.db2.gz HKWPOUDSSMMNNV-LLVKDONJSA-N 2 2 292.339 -0.374 20 0 CBADLP C[C@@H](F)CC[NH2+]C[C@@H](O)CNC(=O)Cc1c[nH+]cn1C ZINC001272560365 827821370 /nfs/dbraw/zinc/82/13/70/827821370.db2.gz PNIRWECFHDXDHG-ZYHUDNBSSA-N 2 2 286.351 -0.223 20 0 CBADLP C[C@@H](CC[NH2+]CC(=O)N(C)C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001273043090 827858650 /nfs/dbraw/zinc/85/86/50/827858650.db2.gz ALOPCVAPIDILSM-JTQLQIEISA-N 2 2 281.360 -0.475 20 0 CBADLP C[C@H](O)C[NH2+]CC[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001273045228 827859312 /nfs/dbraw/zinc/85/93/12/827859312.db2.gz QZCGNMYHMJYXNS-UWVGGRQHSA-N 2 2 254.334 -0.183 20 0 CBADLP C[N@@H+]1CCO[C@@]2(CCCN(C(=O)C[NH+]3CC[C@H](O)C3)C2)C1 ZINC001273069988 827859901 /nfs/dbraw/zinc/85/99/01/827859901.db2.gz OVYZWRPFBFZIAE-ZFWWWQNUSA-N 2 2 297.399 -0.624 20 0 CBADLP C[N@H+]1CCO[C@@]2(CCCN(C(=O)C[NH+]3CC[C@H](O)C3)C2)C1 ZINC001273069988 827859909 /nfs/dbraw/zinc/85/99/09/827859909.db2.gz OVYZWRPFBFZIAE-ZFWWWQNUSA-N 2 2 297.399 -0.624 20 0 CBADLP C[NH+]1CCO[C@@]2(CCCN(C(=O)C[N@@H+]3CC[C@H](O)C3)C2)C1 ZINC001273069988 827859919 /nfs/dbraw/zinc/85/99/19/827859919.db2.gz OVYZWRPFBFZIAE-ZFWWWQNUSA-N 2 2 297.399 -0.624 20 0 CBADLP C[NH+]1CCO[C@@]2(CCCN(C(=O)C[N@H+]3CC[C@H](O)C3)C2)C1 ZINC001273069988 827859929 /nfs/dbraw/zinc/85/99/29/827859929.db2.gz OVYZWRPFBFZIAE-ZFWWWQNUSA-N 2 2 297.399 -0.624 20 0 CBADLP Cn1c[nH+]cc1CN1C[C@@]2(CC[N@H+](C)C2)OCC1=O ZINC001273524578 827906833 /nfs/dbraw/zinc/90/68/33/827906833.db2.gz BJLDKJFZAYYFPA-ZDUSSCGKSA-N 2 2 264.329 -0.147 20 0 CBADLP Cn1c[nH+]cc1CN1C[C@@]2(CC[N@@H+](C)C2)OCC1=O ZINC001273524578 827906838 /nfs/dbraw/zinc/90/68/38/827906838.db2.gz BJLDKJFZAYYFPA-ZDUSSCGKSA-N 2 2 264.329 -0.147 20 0 CBADLP CC(C)[C@@H](O)C[NH+]1CC2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273895285 827939674 /nfs/dbraw/zinc/93/96/74/827939674.db2.gz PQUFMPPRLYZHOE-ZDUSSCGKSA-N 2 2 299.415 -0.522 20 0 CBADLP CC[C@H](C(=O)NC/C=C\C[NH2+]Cc1cn(C)nn1)[NH+](C)C ZINC001274124002 827969785 /nfs/dbraw/zinc/96/97/85/827969785.db2.gz BIAOQIMXWCWAMJ-FMFIFOJESA-N 2 2 294.403 -0.083 20 0 CBADLP CC[C@@H](C(=O)NC/C=C/C[NH2+]Cc1cnn(C)n1)[NH+](C)C ZINC001274507507 827994916 /nfs/dbraw/zinc/99/49/16/827994916.db2.gz DXUPMRCLEAVYJS-YBJDMEARSA-N 2 2 294.403 -0.083 20 0 CBADLP CN(C)C(=O)C[NH2+]C/C=C/CNC(=O)Cc1c[nH+]cn1C ZINC001274497977 827995343 /nfs/dbraw/zinc/99/53/43/827995343.db2.gz BNUGDMAVYPGBSS-SNAWJCMRSA-N 2 2 293.371 -0.687 20 0 CBADLP COCC[N@H+]1C[C@@H]2[C@H](C1)OCCN2CCn1cc[nH+]c1 ZINC001274981465 828047476 /nfs/dbraw/zinc/04/74/76/828047476.db2.gz IGIPBUUKSHTOCR-KGLIPLIRSA-N 2 2 280.372 -0.086 20 0 CBADLP COCC[N@@H+]1C[C@@H]2[C@H](C1)OCCN2CCn1cc[nH+]c1 ZINC001274981465 828047486 /nfs/dbraw/zinc/04/74/86/828047486.db2.gz IGIPBUUKSHTOCR-KGLIPLIRSA-N 2 2 280.372 -0.086 20 0 CBADLP C[NH+](C)CCN1CCO[C@H]2C[N@H+](Cc3ccncn3)C[C@H]21 ZINC001275223825 828069744 /nfs/dbraw/zinc/06/97/44/828069744.db2.gz HVZUOQSFEFBSLZ-CABCVRRESA-N 2 2 291.399 -0.077 20 0 CBADLP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](Cc3ccncn3)C[C@H]21 ZINC001275223825 828069752 /nfs/dbraw/zinc/06/97/52/828069752.db2.gz HVZUOQSFEFBSLZ-CABCVRRESA-N 2 2 291.399 -0.077 20 0 CBADLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+]2CC1C(=O)N=CNC1=O ZINC001275273628 828075522 /nfs/dbraw/zinc/07/55/22/828075522.db2.gz UBDHBLDLXILCQR-PHIMTYICSA-N 2 2 293.371 -0.292 20 0 CBADLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+]2CC1C(=O)N=CNC1=O ZINC001275273628 828075538 /nfs/dbraw/zinc/07/55/38/828075538.db2.gz UBDHBLDLXILCQR-PHIMTYICSA-N 2 2 293.371 -0.292 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC1CC(C[NH2+]CCO)C1 ZINC001275311081 828077606 /nfs/dbraw/zinc/07/76/06/828077606.db2.gz XXHKJDQIMAAHDR-UHFFFAOYSA-N 2 2 266.345 -0.263 20 0 CBADLP C[NH+](C)CCN1CCO[C@H]2C[N@H+](Cc3cccnn3)C[C@H]21 ZINC001275878916 828119616 /nfs/dbraw/zinc/11/96/16/828119616.db2.gz WGSXKOIBLHHHRF-CABCVRRESA-N 2 2 291.399 -0.077 20 0 CBADLP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](Cc3cccnn3)C[C@H]21 ZINC001275878916 828119620 /nfs/dbraw/zinc/11/96/20/828119620.db2.gz WGSXKOIBLHHHRF-CABCVRRESA-N 2 2 291.399 -0.077 20 0 CBADLP C[C@H](CNC(=O)CCc1[nH+]ccn1C)[N@H+](C)CCO ZINC001275888580 828121056 /nfs/dbraw/zinc/12/10/56/828121056.db2.gz YCHBIWNCHQNHJS-LLVKDONJSA-N 2 2 268.361 -0.219 20 0 CBADLP C[C@H](CNC(=O)CCc1[nH+]ccn1C)[N@@H+](C)CCO ZINC001275888580 828121062 /nfs/dbraw/zinc/12/10/62/828121062.db2.gz YCHBIWNCHQNHJS-LLVKDONJSA-N 2 2 268.361 -0.219 20 0 CBADLP CC[C@@H](C(=O)N(C)CCC[NH2+]Cc1nnn(C)n1)[NH+](C)C ZINC001276232350 828138983 /nfs/dbraw/zinc/13/89/83/828138983.db2.gz NFEBCVTVOCWOEO-NSHDSACASA-N 2 2 297.407 -0.512 20 0 CBADLP C[NH+](C)CCN1CCO[C@H]2C[N@H+](Cc3cncnc3)C[C@@H]21 ZINC001276301609 828140904 /nfs/dbraw/zinc/14/09/04/828140904.db2.gz DWLANBHGFPVJMU-GJZGRUSLSA-N 2 2 291.399 -0.077 20 0 CBADLP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](Cc3cncnc3)C[C@@H]21 ZINC001276301609 828140907 /nfs/dbraw/zinc/14/09/07/828140907.db2.gz DWLANBHGFPVJMU-GJZGRUSLSA-N 2 2 291.399 -0.077 20 0 CBADLP C[NH+](C)CCN1C[C@@H]2COC[C@H](C1)[N@@H+]2CC1(C)COC1 ZINC001276421660 828145171 /nfs/dbraw/zinc/14/51/71/828145171.db2.gz NTQLRUCZEWWUGJ-OKILXGFUSA-N 2 2 283.416 -0.031 20 0 CBADLP C[NH+](C)CCN1C[C@@H]2COC[C@H](C1)[N@H+]2CC1(C)COC1 ZINC001276421660 828145175 /nfs/dbraw/zinc/14/51/75/828145175.db2.gz NTQLRUCZEWWUGJ-OKILXGFUSA-N 2 2 283.416 -0.031 20 0 CBADLP O=C(N[C@H]1C[C@H](C[NH2+]CCO)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC001277002120 828170690 /nfs/dbraw/zinc/17/06/90/828170690.db2.gz VQGXIZDUSYILIL-AVGNSLFASA-N 2 2 292.383 -0.078 20 0 CBADLP C[NH+](C)CCNC(=S)N1C[C@@H]2C[N@@H+](C)C[C@H](C1)O2 ZINC001277451962 828188028 /nfs/dbraw/zinc/18/80/28/828188028.db2.gz JICURMWKTRVSRT-PHIMTYICSA-N 2 2 272.418 -0.563 20 0 CBADLP C[NH+](C)CCNC(=S)N1C[C@@H]2C[N@H+](C)C[C@H](C1)O2 ZINC001277451962 828188034 /nfs/dbraw/zinc/18/80/34/828188034.db2.gz JICURMWKTRVSRT-PHIMTYICSA-N 2 2 272.418 -0.563 20 0 CBADLP COC[C@H](C(=O)OC)[N@@H+]1CC[C@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001277573895 828195780 /nfs/dbraw/zinc/19/57/80/828195780.db2.gz BSTZEOTXLKVPKZ-MELADBBJSA-N 2 2 299.415 -0.115 20 0 CBADLP COC[C@H](C(=O)OC)[N@H+]1CC[C@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001277573895 828195786 /nfs/dbraw/zinc/19/57/86/828195786.db2.gz BSTZEOTXLKVPKZ-MELADBBJSA-N 2 2 299.415 -0.115 20 0 CBADLP CC(=O)[C@@H](C)[N@@H+]1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001277886117 828216933 /nfs/dbraw/zinc/21/69/33/828216933.db2.gz NLOZRUFIUSWVCT-XBFCOCLRSA-N 2 2 269.389 -0.090 20 0 CBADLP CC(=O)[C@@H](C)[N@H+]1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001277886117 828216937 /nfs/dbraw/zinc/21/69/37/828216937.db2.gz NLOZRUFIUSWVCT-XBFCOCLRSA-N 2 2 269.389 -0.090 20 0 CBADLP CC(C)C[NH2+][C@@H](CO)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001278179051 828255716 /nfs/dbraw/zinc/25/57/16/828255716.db2.gz NVJQQPHQYACQNF-SNVBAGLBSA-N 2 2 254.334 -0.325 20 0 CBADLP C[C@H](O)C[N@@H+]1CC[C@@](C)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001278451302 828271673 /nfs/dbraw/zinc/27/16/73/828271673.db2.gz UYQLCLHLIIDMTH-WCQYABFASA-N 2 2 266.345 -0.156 20 0 CBADLP C[C@H](O)C[N@H+]1CC[C@@](C)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001278451302 828271680 /nfs/dbraw/zinc/27/16/80/828271680.db2.gz UYQLCLHLIIDMTH-WCQYABFASA-N 2 2 266.345 -0.156 20 0 CBADLP CN(C[C@@H](O)C[NH2+]CC1CC1)C(=O)Cn1cc[nH+]c1 ZINC001278837596 828294351 /nfs/dbraw/zinc/29/43/51/828294351.db2.gz AZFUPETXFXNSND-LBPRGKRZSA-N 2 2 266.345 -0.298 20 0 CBADLP C[C@@H](C(=O)N1CC[C@@](O)(C[NH+](C)C)C1)n1cc[nH+]c1 ZINC001347930550 890535084 /nfs/dbraw/zinc/53/50/84/890535084.db2.gz GXCRTSVAXSIDKE-WCQYABFASA-N 2 2 266.345 -0.031 20 0 CBADLP C[C@@H](C(=O)NCC[N@@H+]1CC[C@H](O)C1)n1cc[nH+]c1 ZINC001348483057 890633338 /nfs/dbraw/zinc/63/33/38/890633338.db2.gz VNJFUCBSDFAELU-QWRGUYRKSA-N 2 2 252.318 -0.373 20 0 CBADLP C[C@@H](C(=O)NCC[N@H+]1CC[C@H](O)C1)n1cc[nH+]c1 ZINC001348483057 890633349 /nfs/dbraw/zinc/63/33/49/890633349.db2.gz VNJFUCBSDFAELU-QWRGUYRKSA-N 2 2 252.318 -0.373 20 0 CBADLP O=C1NCC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC001327628815 885435292 /nfs/dbraw/zinc/43/52/92/885435292.db2.gz HOIPAQLIAUBNJQ-RYUDHWBXSA-N 2 2 253.346 -0.282 20 0 CBADLP C[C@H]([NH3+])C[NH+]1CCC(n2cc(C(N)=O)nn2)CC1 ZINC001329221370 885970100 /nfs/dbraw/zinc/97/01/00/885970100.db2.gz DGHRNIXGUVKTKA-QMMMGPOBSA-N 2 2 252.322 -0.639 20 0 CBADLP NC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H]([NH3+])C2CCC2)C1 ZINC001329564563 886124435 /nfs/dbraw/zinc/12/44/35/886124435.db2.gz OFBWHNGOSXQGNG-CMPLNLGQSA-N 2 2 268.361 -0.820 20 0 CBADLP NC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H]([NH3+])C2CCC2)C1 ZINC001329564563 886124443 /nfs/dbraw/zinc/12/44/43/886124443.db2.gz OFBWHNGOSXQGNG-CMPLNLGQSA-N 2 2 268.361 -0.820 20 0 CBADLP C[NH+]1CCC(O)(CNC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001329607855 886141333 /nfs/dbraw/zinc/14/13/33/886141333.db2.gz PUXHOSNJAZWZSN-UHFFFAOYSA-N 2 2 266.345 -0.085 20 0 CBADLP O=C(/C=C/C[NH+]1CCOCC1)NCC[NH+]1CC=CC1 ZINC001329749051 886195292 /nfs/dbraw/zinc/19/52/92/886195292.db2.gz RLHKKPJEHGQQEW-ONEGZZNKSA-N 2 2 265.357 -0.137 20 0 CBADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)CCC1C[NH2+]C1 ZINC001331690818 886911479 /nfs/dbraw/zinc/91/14/79/886911479.db2.gz WSFJLLYUMXYSAZ-LLVKDONJSA-N 2 2 269.345 -0.651 20 0 CBADLP C[C@H](C(=O)N1CCC(C)([NH3+])CC1)[NH+]1CCN(C)CC1 ZINC001332452738 887289931 /nfs/dbraw/zinc/28/99/31/887289931.db2.gz ZRPQECKFLMFKRR-GFCCVEGCSA-N 2 2 268.405 -0.038 20 0 CBADLP CS(=O)(=O)C[C@H](O)C[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC001332876256 887458045 /nfs/dbraw/zinc/45/80/45/887458045.db2.gz DWQKDNBXXTZBLC-MXWKQRLJSA-N 2 2 264.391 -0.359 20 0 CBADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1C[C@H](O)COC1CCOCC1 ZINC001334339651 887927495 /nfs/dbraw/zinc/92/74/95/887927495.db2.gz XOZFSGJCQBCQJU-WOPDTQHZSA-N 2 2 258.362 -0.036 20 0 CBADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1C[C@H](O)COC1CCOCC1 ZINC001334339651 887927501 /nfs/dbraw/zinc/92/75/01/887927501.db2.gz XOZFSGJCQBCQJU-WOPDTQHZSA-N 2 2 258.362 -0.036 20 0 CBADLP C[C@@]1(C(=O)N[C@H]2CCC[N@H+](CC(N)=O)C2)CCC[NH2+]1 ZINC001336721640 888856365 /nfs/dbraw/zinc/85/63/65/888856365.db2.gz NEVMSZSDPPHOKX-GWCFXTLKSA-N 2 2 268.361 -0.806 20 0 CBADLP C[C@@]1(C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)C2)CCC[NH2+]1 ZINC001336721640 888856370 /nfs/dbraw/zinc/85/63/70/888856370.db2.gz NEVMSZSDPPHOKX-GWCFXTLKSA-N 2 2 268.361 -0.806 20 0 CBADLP C[C@@H]1Cn2nc(C(=O)N3CC[NH+](C)CC3)cc2C[NH2+]1 ZINC001340260581 889414330 /nfs/dbraw/zinc/41/43/30/889414330.db2.gz BZVVMCSONIBWKG-SNVBAGLBSA-N 2 2 263.345 -0.238 20 0 CBADLP CC(C)(C(=O)N1CCO[C@H](C[NH3+])C1)c1c[nH+]c[nH]1 ZINC001341752709 889657673 /nfs/dbraw/zinc/65/76/73/889657673.db2.gz NSJXCPASMFZIIQ-SECBINFHSA-N 2 2 252.318 -0.127 20 0 CBADLP C[NH+](C)CCCC(=O)NCC1C[NH+](CC(=O)N2CCC2)C1 ZINC001443621125 912242086 /nfs/dbraw/zinc/24/20/86/912242086.db2.gz IKMNPCXGYQGFEQ-UHFFFAOYSA-N 2 2 296.415 -0.392 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001443612562 912244980 /nfs/dbraw/zinc/24/49/80/912244980.db2.gz HWFHQOAHTXYJDX-NSHDSACASA-N 2 2 298.431 -0.114 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001443612562 912244988 /nfs/dbraw/zinc/24/49/88/912244988.db2.gz HWFHQOAHTXYJDX-NSHDSACASA-N 2 2 298.431 -0.114 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NCC1C[NH+]([C@H]2CCNC2=O)C1 ZINC001443650348 912249876 /nfs/dbraw/zinc/24/98/76/912249876.db2.gz CFIXCBSHUBUAKR-LBPRGKRZSA-N 2 2 282.388 -0.737 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NCC1C[NH+]([C@H]2CCNC2=O)C1 ZINC001443650348 912249898 /nfs/dbraw/zinc/24/98/98/912249898.db2.gz CFIXCBSHUBUAKR-LBPRGKRZSA-N 2 2 282.388 -0.737 20 0 CBADLP CC[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CC(=O)NC1CC1 ZINC001444013552 912325696 /nfs/dbraw/zinc/32/56/96/912325696.db2.gz OPHOFGYSAQKKLW-JTQLQIEISA-N 2 2 293.371 -0.285 20 0 CBADLP CC[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CC(=O)NC1CC1 ZINC001444013557 912326017 /nfs/dbraw/zinc/32/60/17/912326017.db2.gz OPHOFGYSAQKKLW-SNVBAGLBSA-N 2 2 293.371 -0.285 20 0 CBADLP CC[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@H]1CCNC1=O ZINC001444016374 912328580 /nfs/dbraw/zinc/32/85/80/912328580.db2.gz XIZBQZGFPFLLCX-ONGXEEELSA-N 2 2 279.344 -0.675 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]C[C@@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001444392460 912439103 /nfs/dbraw/zinc/43/91/03/912439103.db2.gz RWNUASLMRZWVHN-MNOVXSKESA-N 2 2 295.387 -0.561 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]C[C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001444392465 912444087 /nfs/dbraw/zinc/44/40/87/912444087.db2.gz RWNUASLMRZWVHN-WDEREUQCSA-N 2 2 295.387 -0.561 20 0 CBADLP COCC[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001444479148 912455537 /nfs/dbraw/zinc/45/55/37/912455537.db2.gz PMPWRFFTCWBEDZ-ZDUSSCGKSA-N 2 2 287.404 -0.210 20 0 CBADLP COCC[N@H+]1CCO[C@@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001444479148 912455550 /nfs/dbraw/zinc/45/55/50/912455550.db2.gz PMPWRFFTCWBEDZ-ZDUSSCGKSA-N 2 2 287.404 -0.210 20 0 CBADLP COCC[NH+]1CCO[C@@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001444479148 912455568 /nfs/dbraw/zinc/45/55/68/912455568.db2.gz PMPWRFFTCWBEDZ-ZDUSSCGKSA-N 2 2 287.404 -0.210 20 0 CBADLP COCC[NH+]1CCO[C@@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001444479148 912455585 /nfs/dbraw/zinc/45/55/85/912455585.db2.gz PMPWRFFTCWBEDZ-ZDUSSCGKSA-N 2 2 287.404 -0.210 20 0 CBADLP CNC(=O)C[NH2+]C1(CNC(=O)Cn2cc[nH+]c2)CCCC1 ZINC001444538843 912461245 /nfs/dbraw/zinc/46/12/45/912461245.db2.gz UPAIWARRTAZRMR-UHFFFAOYSA-N 2 2 293.371 -0.352 20 0 CBADLP C[C@H](C[NH2+][C@@H](C)C(N)=O)N(C)C(=O)CCc1c[nH+]cn1C ZINC001444708125 912493606 /nfs/dbraw/zinc/49/36/06/912493606.db2.gz CKGPCQGGAOWDML-MNOVXSKESA-N 2 2 295.387 -0.337 20 0 CBADLP C[C@@H](C[NH2+]CC(=O)NC1CC1)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001444698994 912494822 /nfs/dbraw/zinc/49/48/22/912494822.db2.gz XGWNIWOFXXVEJT-JTQLQIEISA-N 2 2 293.371 -0.333 20 0 CBADLP CC(C)[C@@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]CC(N)=O ZINC001444941876 912521768 /nfs/dbraw/zinc/52/17/68/912521768.db2.gz XLKSTHZJSTZERS-LLVKDONJSA-N 2 2 281.360 -0.822 20 0 CBADLP CCN(C)C(=O)C[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001444957375 912526563 /nfs/dbraw/zinc/52/65/63/912526563.db2.gz OKKDMDSDKYHNGC-ZDUSSCGKSA-N 2 2 298.431 -0.051 20 0 CBADLP CCN(C)C(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001444957375 912526579 /nfs/dbraw/zinc/52/65/79/912526579.db2.gz OKKDMDSDKYHNGC-ZDUSSCGKSA-N 2 2 298.431 -0.051 20 0 CBADLP CCN(C)C(=O)C[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001444957375 912526598 /nfs/dbraw/zinc/52/65/98/912526598.db2.gz OKKDMDSDKYHNGC-ZDUSSCGKSA-N 2 2 298.431 -0.051 20 0 CBADLP CCN(C)C(=O)C[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001444957375 912526618 /nfs/dbraw/zinc/52/66/18/912526618.db2.gz OKKDMDSDKYHNGC-ZDUSSCGKSA-N 2 2 298.431 -0.051 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H](O)C[NH2+]C[C@H]1CCCCO1 ZINC001445263462 912617395 /nfs/dbraw/zinc/61/73/95/912617395.db2.gz WQKITGNFYMFEAK-CHWSQXEVSA-N 2 2 296.371 -0.412 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@@H](O)C[NH2+]Cc1cncs1 ZINC001445279268 912624311 /nfs/dbraw/zinc/62/43/11/912624311.db2.gz NRZKNPNIGPHQRQ-JTQLQIEISA-N 2 2 295.368 -0.394 20 0 CBADLP Cc1nocc1C[NH2+]C[C@@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001445279658 912624833 /nfs/dbraw/zinc/62/48/33/912624833.db2.gz RXVXDVMKLZVORC-LLVKDONJSA-N 2 2 293.327 -0.484 20 0 CBADLP C[C@H](CC[NH2+][C@H](C)C(N)=O)NC(=O)CCn1cc[nH+]c1 ZINC001445316840 912629460 /nfs/dbraw/zinc/62/94/60/912629460.db2.gz QWTUVNNOCYTOPN-GHMZBOCLSA-N 2 2 281.360 -0.369 20 0 CBADLP CCn1nncc1C[NH2+]C[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001445441850 912666250 /nfs/dbraw/zinc/66/62/50/912666250.db2.gz VAOUCNCBNSCJLN-SNVBAGLBSA-N 2 2 291.359 -0.142 20 0 CBADLP C[C@@H](C[NH2+][C@@H]1CCCNC1=O)NC(=O)Cc1[nH]cc[nH+]1 ZINC001445621968 912715047 /nfs/dbraw/zinc/71/50/47/912715047.db2.gz FZXBOAHQAFUNTH-VHSXEESVSA-N 2 2 279.344 -0.675 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C[NH2+][C@H]1CCN(C)C1=O ZINC001445644831 912722884 /nfs/dbraw/zinc/72/28/84/912722884.db2.gz QKRNHSDHYMPRNI-ONGXEEELSA-N 2 2 293.371 -0.414 20 0 CBADLP COC[C@H](O)C[N@H+](C)C[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001445822755 912763307 /nfs/dbraw/zinc/76/33/07/912763307.db2.gz FXWBMDIKDXMQFT-GHMZBOCLSA-N 2 2 284.360 -0.604 20 0 CBADLP COC[C@H](O)C[N@@H+](C)C[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001445822755 912763318 /nfs/dbraw/zinc/76/33/18/912763318.db2.gz FXWBMDIKDXMQFT-GHMZBOCLSA-N 2 2 284.360 -0.604 20 0 CBADLP CC[C@@H]([NH2+]C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)C1CC1)C(N)=O ZINC001445977555 912791264 /nfs/dbraw/zinc/79/12/64/912791264.db2.gz IBAHCSQIYMINKB-VXGBXAGGSA-N 2 2 293.371 -0.300 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001445985797 912795890 /nfs/dbraw/zinc/79/58/90/912795890.db2.gz IGYAGDGFDIYTQG-MWLCHTKSSA-N 2 2 293.371 -0.429 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1CC[N@@H+]1CCn1cccn1 ZINC001446128531 912816881 /nfs/dbraw/zinc/81/68/81/912816881.db2.gz ZMBXDYUADKKZOR-ZDUSSCGKSA-N 2 2 288.355 -0.030 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1CC[N@H+]1CCn1cccn1 ZINC001446128531 912816901 /nfs/dbraw/zinc/81/69/01/912816901.db2.gz ZMBXDYUADKKZOR-ZDUSSCGKSA-N 2 2 288.355 -0.030 20 0 CBADLP CC1(C)CNC(=O)[C@H]1[NH2+]C1CC[NH+](CCO)CC1 ZINC000925829950 884606417 /nfs/dbraw/zinc/60/64/17/884606417.db2.gz HGGPPTMRVRVAOU-LLVKDONJSA-N 2 2 255.362 -0.443 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)CC(C)(C)[NH3+] ZINC001326282304 884974409 /nfs/dbraw/zinc/97/44/09/884974409.db2.gz OCVIRLRMCOXVRF-VIFPVBQESA-N 2 2 257.334 -0.523 20 0 CBADLP C[NH2+]C[C@H]1CCN(C(=O)[C@@H](C)[NH+]2CCN(C)CC2)C1 ZINC001326309519 884981396 /nfs/dbraw/zinc/98/13/96/884981396.db2.gz NDLVLWSJRNMMEX-CHWSQXEVSA-N 2 2 268.405 -0.310 20 0 CBADLP C[C@@]1(C(=O)N[C@@H]2CCC[N@H+](CC(N)=O)C2)CC[NH2+]C1 ZINC001326372059 885008681 /nfs/dbraw/zinc/00/86/81/885008681.db2.gz XFIZCPWCXYOIEL-ZWNOBZJWSA-N 2 2 268.361 -0.948 20 0 CBADLP C[C@@]1(C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)C2)CC[NH2+]C1 ZINC001326372059 885008699 /nfs/dbraw/zinc/00/86/99/885008699.db2.gz XFIZCPWCXYOIEL-ZWNOBZJWSA-N 2 2 268.361 -0.948 20 0 CBADLP CNC(=O)C[NH2+]CC[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001326398592 885017423 /nfs/dbraw/zinc/01/74/23/885017423.db2.gz RALGWRBWRGIWJQ-LLVKDONJSA-N 2 2 293.371 -0.474 20 0 CBADLP Cn1[nH]c(C[NH+]2CCC(OCCC[NH3+])CC2)nc1=O ZINC001326583101 885074419 /nfs/dbraw/zinc/07/44/19/885074419.db2.gz DSLFVQJUEWSYSB-UHFFFAOYSA-N 2 2 269.349 -0.562 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@@](C)(NC(=O)CCn2cc[nH+]c2)C1 ZINC001446540963 912900671 /nfs/dbraw/zinc/90/06/71/912900671.db2.gz KXEKUNYBAIMYOH-SMDDNHRTSA-N 2 2 293.371 -0.272 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CC[C@@](C)(NC(=O)CCn2cc[nH+]c2)C1 ZINC001446540963 912900680 /nfs/dbraw/zinc/90/06/80/912900680.db2.gz KXEKUNYBAIMYOH-SMDDNHRTSA-N 2 2 293.371 -0.272 20 0 CBADLP C[C@@H]([NH2+]C[C@@]1(C)CCN(C(=O)Cn2cc[nH+]c2)C1)C(N)=O ZINC001446609473 912915399 /nfs/dbraw/zinc/91/53/99/912915399.db2.gz HAQUKPNHGVOIHE-BXUZGUMPSA-N 2 2 293.371 -0.415 20 0 CBADLP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC001327510711 885382809 /nfs/dbraw/zinc/38/28/09/885382809.db2.gz XZHVYORCZUFNBH-UWVGGRQHSA-N 2 2 279.344 -0.962 20 0 CBADLP CCNC(=O)C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001327794369 885478069 /nfs/dbraw/zinc/47/80/69/885478069.db2.gz SJZKFKYIDDSSIA-GFCCVEGCSA-N 2 2 255.362 -0.035 20 0 CBADLP CN(CCC[NH3+])C(=O)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC001327932671 885534457 /nfs/dbraw/zinc/53/44/57/885534457.db2.gz MYDMHQGUHDXXSZ-UHFFFAOYSA-N 2 2 293.371 -0.146 20 0 CBADLP C[C@@H](C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)n1cc[nH+]c1 ZINC001329089623 885923868 /nfs/dbraw/zinc/92/38/68/885923868.db2.gz RKEXVCJERIGGNE-SDDRHHMPSA-N 2 2 264.329 -0.279 20 0 CBADLP C[C@@H](C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)n1cc[nH+]c1 ZINC001329089623 885923879 /nfs/dbraw/zinc/92/38/79/885923879.db2.gz RKEXVCJERIGGNE-SDDRHHMPSA-N 2 2 264.329 -0.279 20 0 CBADLP O=C1NCCO[C@@H]2CCC[N@H+](C[C@H]3CCC[NH2+]C3)[C@@H]12 ZINC001329315511 886010959 /nfs/dbraw/zinc/01/09/59/886010959.db2.gz HOJKZRNHCPMYNF-YNEHKIRRSA-N 2 2 267.373 -0.035 20 0 CBADLP O=C1NCCO[C@@H]2CCC[N@@H+](C[C@H]3CCC[NH2+]C3)[C@@H]12 ZINC001329315511 886010965 /nfs/dbraw/zinc/01/09/65/886010965.db2.gz HOJKZRNHCPMYNF-YNEHKIRRSA-N 2 2 267.373 -0.035 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC001329434825 886066719 /nfs/dbraw/zinc/06/67/19/886066719.db2.gz YRSKVNASTVZUDI-VXGBXAGGSA-N 2 2 264.329 -0.449 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC001329434825 886066739 /nfs/dbraw/zinc/06/67/39/886066739.db2.gz YRSKVNASTVZUDI-VXGBXAGGSA-N 2 2 264.329 -0.449 20 0 CBADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)C(N)=O)c2)CC1 ZINC001329881404 886258649 /nfs/dbraw/zinc/25/86/49/886258649.db2.gz WHAAKJGCQYLXIC-UHFFFAOYSA-N 2 2 263.301 -0.743 20 0 CBADLP CNC(=O)C[NH+]1CC([C@H](C)NC(=O)CCCC[NH+](C)C)C1 ZINC001330068946 886345589 /nfs/dbraw/zinc/34/55/89/886345589.db2.gz CSRNSVYHVOWBEG-LBPRGKRZSA-N 2 2 298.431 -0.099 20 0 CBADLP C[C@@H](NC(=O)C[NH+]1CCCC1)C1C[NH+](CC(N)=O)C1 ZINC001330075866 886349109 /nfs/dbraw/zinc/34/91/09/886349109.db2.gz YJMGNJRLVHZEIE-SNVBAGLBSA-N 2 2 268.361 -0.996 20 0 CBADLP CN(CCC[NH3+])C(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC001330524378 886468388 /nfs/dbraw/zinc/46/83/88/886468388.db2.gz DERLVLMQMUXZLE-JTQLQIEISA-N 2 2 279.344 -0.879 20 0 CBADLP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCO1 ZINC001330592825 886493528 /nfs/dbraw/zinc/49/35/28/886493528.db2.gz HIIAOKLIPRZCAF-OPRDCNLKSA-N 2 2 250.302 -0.301 20 0 CBADLP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCO1 ZINC001330592825 886493535 /nfs/dbraw/zinc/49/35/35/886493535.db2.gz HIIAOKLIPRZCAF-OPRDCNLKSA-N 2 2 250.302 -0.301 20 0 CBADLP COCC[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC001331322173 886776747 /nfs/dbraw/zinc/77/67/47/886776747.db2.gz KGSNSSPTKLMYPS-GHMZBOCLSA-N 2 2 259.350 -0.813 20 0 CBADLP COCC[C@@H]([NH3+])C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC001331322173 886776758 /nfs/dbraw/zinc/77/67/58/886776758.db2.gz KGSNSSPTKLMYPS-GHMZBOCLSA-N 2 2 259.350 -0.813 20 0 CBADLP CCN(C(=O)[C@H](C)N1CC[NH2+]CC1=O)[C@H]1CC[NH2+]C1 ZINC001331444069 886811162 /nfs/dbraw/zinc/81/11/62/886811162.db2.gz QBLJRNIDSXXQOG-QWRGUYRKSA-N 2 2 268.361 -0.983 20 0 CBADLP O=C(NC[C@@H](CO)[NH2+]CCCF)[C@@H]1CCn2cc[nH+]c2C1 ZINC001331738012 886945777 /nfs/dbraw/zinc/94/57/77/886945777.db2.gz DRKPCQUPRIOMBX-NEPJUHHUSA-N 2 2 298.362 -0.128 20 0 CBADLP COCCOC[C@H](O)C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC001331972000 887072414 /nfs/dbraw/zinc/07/24/14/887072414.db2.gz OPACUCWZFGYTDM-WDEREUQCSA-N 2 2 269.345 -0.120 20 0 CBADLP C[NH+]1CCN(C2CCN(C(=O)[C@H]3CC[NH2+]3)CC2)CC1 ZINC001332229047 887165186 /nfs/dbraw/zinc/16/51/86/887165186.db2.gz SATNTHXVVTVJSZ-CYBMUJFWSA-N 2 2 266.389 -0.413 20 0 CBADLP C[C@@H](C(=O)N(C)CC[N@@H+](C)CCO)n1cc[nH+]c1 ZINC001332246063 887170949 /nfs/dbraw/zinc/17/09/49/887170949.db2.gz WCZRYQQFJSOAOK-NSHDSACASA-N 2 2 254.334 -0.173 20 0 CBADLP C[C@@H](C(=O)N(C)CC[N@H+](C)CCO)n1cc[nH+]c1 ZINC001332246063 887170941 /nfs/dbraw/zinc/17/09/41/887170941.db2.gz WCZRYQQFJSOAOK-NSHDSACASA-N 2 2 254.334 -0.173 20 0 CBADLP C[NH2+]CCC[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001332425158 887274425 /nfs/dbraw/zinc/27/44/25/887274425.db2.gz WHAXXXWBTWAVAV-KGLIPLIRSA-N 3 2 295.431 -0.184 20 0 CBADLP C[NH2+]CCC[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001332425158 887274438 /nfs/dbraw/zinc/27/44/38/887274438.db2.gz WHAXXXWBTWAVAV-KGLIPLIRSA-N 3 2 295.431 -0.184 20 0 CBADLP O=C(C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2)N1CC[NH2+]CC1 ZINC001332425181 887274873 /nfs/dbraw/zinc/27/48/73/887274873.db2.gz WYGAMQOICJMVBH-AWEZNQCLSA-N 3 2 266.389 -0.506 20 0 CBADLP O=C(C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)N1CC[NH2+]CC1 ZINC001332425181 887274884 /nfs/dbraw/zinc/27/48/84/887274884.db2.gz WYGAMQOICJMVBH-AWEZNQCLSA-N 3 2 266.389 -0.506 20 0 CBADLP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2nnc3n2CCNC3=O)C1 ZINC001332421773 887276502 /nfs/dbraw/zinc/27/65/02/887276502.db2.gz SENUQTJXORKUME-RKDXNWHRSA-N 2 2 264.333 -0.619 20 0 CBADLP C[C@@H](C(=O)N1CCC(C)([NH3+])CC1)[NH+]1CCN(C)CC1 ZINC001332452742 887288048 /nfs/dbraw/zinc/28/80/48/887288048.db2.gz ZRPQECKFLMFKRR-LBPRGKRZSA-N 2 2 268.405 -0.038 20 0 CBADLP Cn1c[nH+]cc1[C@H](CO)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001332687875 887405847 /nfs/dbraw/zinc/40/58/47/887405847.db2.gz FVHZFTONHXGVJU-ZJUUUORDSA-N 2 2 252.318 -0.479 20 0 CBADLP Cn1c[nH+]cc1[C@H](CO)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001332687875 887405855 /nfs/dbraw/zinc/40/58/55/887405855.db2.gz FVHZFTONHXGVJU-ZJUUUORDSA-N 2 2 252.318 -0.479 20 0 CBADLP C[C@H]1CN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)CC[N@@H+]1C ZINC001332755568 887422460 /nfs/dbraw/zinc/42/24/60/887422460.db2.gz PNSDBPUVLQMMNX-WCQYABFASA-N 2 2 267.373 -0.130 20 0 CBADLP C[C@H]1CN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)CC[N@H+]1C ZINC001332755568 887422465 /nfs/dbraw/zinc/42/24/65/887422465.db2.gz PNSDBPUVLQMMNX-WCQYABFASA-N 2 2 267.373 -0.130 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC001333054158 887512454 /nfs/dbraw/zinc/51/24/54/887512454.db2.gz QPKUBNNKPLRFEO-LLVKDONJSA-N 2 2 254.378 -0.428 20 0 CBADLP C[C@H](NC(=O)CCc1[nH+]ccn1C)[C@H](C)[NH2+]CC(N)=O ZINC001447882297 913154304 /nfs/dbraw/zinc/15/43/04/913154304.db2.gz KBGOMQYYJCSFQF-UWVGGRQHSA-N 2 2 281.360 -0.679 20 0 CBADLP [NH3+]C[C@H]1CCCN1C(=O)C(=O)NCCCCn1cc[nH+]c1 ZINC001333363562 887611532 /nfs/dbraw/zinc/61/15/32/887611532.db2.gz OUDJQCAEYOSBJB-GFCCVEGCSA-N 2 2 293.371 -0.271 20 0 CBADLP C[NH+]1CCC(N(CCO)C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001333383564 887616087 /nfs/dbraw/zinc/61/60/87/887616087.db2.gz NSAGWBYDOFSHQJ-UHFFFAOYSA-N 2 2 266.345 -0.133 20 0 CBADLP CCN(C(=O)C(=O)NCCc1cn(C)c[nH+]1)[C@@H]1CC[NH2+]C1 ZINC001333381099 887616282 /nfs/dbraw/zinc/61/62/82/887616282.db2.gz YSYUJNVITBWTAZ-GFCCVEGCSA-N 2 2 293.371 -0.711 20 0 CBADLP CCNC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001447929296 913167828 /nfs/dbraw/zinc/16/78/28/913167828.db2.gz LUMFGLBDHCLECH-GHMZBOCLSA-N 2 2 295.387 -0.419 20 0 CBADLP C[N@H+](CCNC(=O)Cc1[nH]cc[nH+]1)CCOCCO ZINC001333505179 887668150 /nfs/dbraw/zinc/66/81/50/887668150.db2.gz QDSSZKIYKIUHHU-UHFFFAOYSA-N 2 2 270.333 -0.991 20 0 CBADLP C[N@@H+](CCNC(=O)Cc1[nH]cc[nH+]1)CCOCCO ZINC001333505179 887668159 /nfs/dbraw/zinc/66/81/59/887668159.db2.gz QDSSZKIYKIUHHU-UHFFFAOYSA-N 2 2 270.333 -0.991 20 0 CBADLP CC(=O)N1CCC[C@H](C[NH2+][C@@H]2C[NH2+]CCOC2)C1 ZINC001333597921 887710760 /nfs/dbraw/zinc/71/07/60/887710760.db2.gz SAPQEPQWNWWRRD-CHWSQXEVSA-N 2 2 255.362 -0.177 20 0 CBADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@H]3CC(=O)N3)CC2)CC1 ZINC001333925735 887809939 /nfs/dbraw/zinc/80/99/39/887809939.db2.gz YBVQVRLNRRCHHW-CYBMUJFWSA-N 2 2 294.399 -0.450 20 0 CBADLP C[NH+]1CCN(C2CN(C(=O)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001334138596 887875621 /nfs/dbraw/zinc/87/56/21/887875621.db2.gz GZQGZQTUJAWETN-UHFFFAOYSA-N 2 2 263.345 -0.590 20 0 CBADLP O=C1NCC2(CCOCC2)[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC001334355847 887933963 /nfs/dbraw/zinc/93/39/63/887933963.db2.gz QRVIDRKAYQEYTE-NSHDSACASA-N 2 2 264.329 -0.232 20 0 CBADLP C[N@H+](CCNS(C)(=O)=O)C[C@@H]1CCCC[NH2+]C1 ZINC001334763419 888316753 /nfs/dbraw/zinc/31/67/53/888316753.db2.gz RGJXYJVZKTWSAE-LLVKDONJSA-N 2 2 263.407 -0.143 20 0 CBADLP C[N@@H+](CCNS(C)(=O)=O)C[C@@H]1CCCC[NH2+]C1 ZINC001334763419 888316763 /nfs/dbraw/zinc/31/67/63/888316763.db2.gz RGJXYJVZKTWSAE-LLVKDONJSA-N 2 2 263.407 -0.143 20 0 CBADLP CC(C)C[NH+]1CC(CCO)(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001448164790 913245732 /nfs/dbraw/zinc/24/57/32/913245732.db2.gz SWPZRSCPGXVGGJ-CYBMUJFWSA-N 2 2 299.415 -0.474 20 0 CBADLP CC(C)C[NH+]1CC(CCO)(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001448164790 913245750 /nfs/dbraw/zinc/24/57/50/913245750.db2.gz SWPZRSCPGXVGGJ-CYBMUJFWSA-N 2 2 299.415 -0.474 20 0 CBADLP OC[C@H]1CC[NH+]1CC1(C[N@H+]2CC[C@@H]2CO)COC1 ZINC001335243100 888463861 /nfs/dbraw/zinc/46/38/61/888463861.db2.gz GPWUEPGHSBVODI-VXGBXAGGSA-N 2 2 256.346 -0.864 20 0 CBADLP OC[C@H]1CC[NH+]1CC1(C[N@@H+]2CC[C@@H]2CO)COC1 ZINC001335243100 888463867 /nfs/dbraw/zinc/46/38/67/888463867.db2.gz GPWUEPGHSBVODI-VXGBXAGGSA-N 2 2 256.346 -0.864 20 0 CBADLP COC[C@H]1C[NH2+]CCN1C(=O)NCCn1cc[nH+]c1 ZINC001335367645 888517710 /nfs/dbraw/zinc/51/77/10/888517710.db2.gz OGMRUBVXMJEJEV-LLVKDONJSA-N 2 2 267.333 -0.487 20 0 CBADLP COC[C@H](C)[NH+]1CC(CCO)(NC(=O)C[NH+]2CCCC2)C1 ZINC001448204730 913258195 /nfs/dbraw/zinc/25/81/95/913258195.db2.gz QJVDPCLAUNBCNI-ZDUSSCGKSA-N 2 2 299.415 -0.330 20 0 CBADLP COC[C@@H](C)[NH+]1CC(CCO)(NC(=O)C[NH+]2CCCC2)C1 ZINC001448204723 913258537 /nfs/dbraw/zinc/25/85/37/913258537.db2.gz QJVDPCLAUNBCNI-CYBMUJFWSA-N 2 2 299.415 -0.330 20 0 CBADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)NC(=O)CCC[NH+](C)C ZINC001448232761 913258942 /nfs/dbraw/zinc/25/89/42/913258942.db2.gz LJUJQCKJXBDUIN-NSHDSACASA-N 2 2 295.387 -0.085 20 0 CBADLP COCCONC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001336091313 888691950 /nfs/dbraw/zinc/69/19/50/888691950.db2.gz SGMYMMXGMOQMRJ-UHFFFAOYSA-N 2 2 260.338 -0.713 20 0 CBADLP CN1CC[NH+](C[C@H](O)CNCC(C)(C)[NH+](C)C)CC1 ZINC001336728646 888859144 /nfs/dbraw/zinc/85/91/44/888859144.db2.gz YUBPPIVQEXBZLE-CYBMUJFWSA-N 2 2 272.437 -0.476 20 0 CBADLP COCCOCC[NH+]1CCN(c2cc[nH+]c(N)n2)CC1 ZINC001337208691 888976306 /nfs/dbraw/zinc/97/63/06/888976306.db2.gz VAMVLEKOKJYSLE-UHFFFAOYSA-N 2 2 281.360 -0.156 20 0 CBADLP CCOCCONC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001338581981 889176513 /nfs/dbraw/zinc/17/65/13/889176513.db2.gz KOSSPKGUOOPQKH-UHFFFAOYSA-N 2 2 274.365 -0.323 20 0 CBADLP C[NH2+]C[C@H](O)[C@H](C)C(=O)NCCCn1cc[nH+]c1 ZINC001340138799 889396494 /nfs/dbraw/zinc/39/64/94/889396494.db2.gz GZNJVNQAYJQZKC-QWRGUYRKSA-N 2 2 254.334 -0.394 20 0 CBADLP C[C@H](CNC(=O)[C@]1(C)C[C@@H](O)C[NH2+]1)Cn1cc[nH+]c1 ZINC001340185154 889404852 /nfs/dbraw/zinc/40/48/52/889404852.db2.gz RRMQQXPUDZCIMS-WZRBSPASSA-N 2 2 266.345 -0.252 20 0 CBADLP COCCOCC[NH+]1CCN(C(=O)C23CC(C2)C[NH2+]3)CC1 ZINC001340556481 889449251 /nfs/dbraw/zinc/44/92/51/889449251.db2.gz IRWZPXSRXDSAKM-UHFFFAOYSA-N 2 2 297.399 -0.454 20 0 CBADLP C[NH2+]C[C@@H](O)CN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001340861005 889500286 /nfs/dbraw/zinc/50/02/86/889500286.db2.gz ATIVHDFFBTUBLY-WDEREUQCSA-N 2 2 254.334 -0.127 20 0 CBADLP CN(C)c1[nH+]cc(CNC(=O)[C@@H]([NH3+])C(C)(C)O)n1C ZINC001340863904 889500579 /nfs/dbraw/zinc/50/05/79/889500579.db2.gz CIVGIVPXGKYPAQ-SECBINFHSA-N 2 2 269.349 -0.800 20 0 CBADLP CN(CCCn1cc[nH+]c1)C(=O)[C@@H]1C[NH2+]CCN1C ZINC001341019619 889532668 /nfs/dbraw/zinc/53/26/68/889532668.db2.gz KETXFFIUSNKIMM-LBPRGKRZSA-N 2 2 265.361 -0.365 20 0 CBADLP Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)CC[NH3+])C2 ZINC001341304895 889574869 /nfs/dbraw/zinc/57/48/69/889574869.db2.gz QILGQBQBIRPPIQ-JTQLQIEISA-N 2 2 266.345 -0.494 20 0 CBADLP C[C@@]1(C(=O)N2CC[NH+](C3CC3)CC2)C[C@H](O)C[NH2+]1 ZINC001341552453 889620782 /nfs/dbraw/zinc/62/07/82/889620782.db2.gz MUCCGQWQVFEEPR-AAEUAGOBSA-N 2 2 253.346 -0.594 20 0 CBADLP C[NH2+]C[C@H](O)[C@@H](C)C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC001341660157 889643371 /nfs/dbraw/zinc/64/33/71/889643371.db2.gz UJEWYDYHCYSNKK-UTUOFQBUSA-N 2 2 268.361 -0.148 20 0 CBADLP [NH3+]C[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CCO1 ZINC001341754590 889658397 /nfs/dbraw/zinc/65/83/97/889658397.db2.gz UYIJVGWVGIPHKD-CMPLNLGQSA-N 2 2 264.329 -0.368 20 0 CBADLP COC[C@H](O)C[NH2+][C@H](C)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001448753681 913370796 /nfs/dbraw/zinc/37/07/96/913370796.db2.gz TWWUYFOVIVIQDE-GHMZBOCLSA-N 2 2 284.360 -0.604 20 0 CBADLP C[C@@H]1CC[NH2+][C@@H](C(=O)NCC[NH+]2CCC([NH3+])CC2)C1 ZINC001342548205 889791998 /nfs/dbraw/zinc/79/19/98/889791998.db2.gz AJCDQDOVNIZUAZ-DGCLKSJQSA-N 3 2 268.405 -0.086 20 0 CBADLP CCOCC[NH+]1CCN(C(=O)[C@@]2(C)C[C@H](O)C[NH2+]2)CC1 ZINC001343372543 889896633 /nfs/dbraw/zinc/89/66/33/889896633.db2.gz SYPWAOXZJSRRKL-GXTWGEPZSA-N 2 2 285.388 -0.720 20 0 CBADLP CCN1CC[NH+](CCCNC(=O)[C@@H]([NH3+])COC)CC1 ZINC001343454282 889911996 /nfs/dbraw/zinc/91/19/96/889911996.db2.gz UYDCYHMCMOMHRW-LBPRGKRZSA-N 2 2 272.393 -0.896 20 0 CBADLP C[C@H](NC(=O)[C@@H]1C[C@@H]1C[NH3+])[C@H]1CN(C)CC[N@@H+]1C ZINC001343581786 889936626 /nfs/dbraw/zinc/93/66/26/889936626.db2.gz FMADLHMMOUVWQS-IRCOFANPSA-N 2 2 254.378 -0.668 20 0 CBADLP C[C@H](NC(=O)[C@@H]1C[C@@H]1C[NH3+])[C@H]1CN(C)CC[N@H+]1C ZINC001343581786 889936636 /nfs/dbraw/zinc/93/66/36/889936636.db2.gz FMADLHMMOUVWQS-IRCOFANPSA-N 2 2 254.378 -0.668 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC001343737134 889959723 /nfs/dbraw/zinc/95/97/23/889959723.db2.gz QKXKMEJNSKQYIS-UTUOFQBUSA-N 2 2 255.362 -0.097 20 0 CBADLP C[C@]1(C(=O)NCC[NH+]2CCC([NH3+])CC2)CCNC1=O ZINC001344708922 890056644 /nfs/dbraw/zinc/05/66/44/890056644.db2.gz RUBSRYQWWDTOLW-ZDUSSCGKSA-N 2 2 268.361 -0.948 20 0 CBADLP Cc1c[nH+]c2cc(C(=O)NC[C@@H](CO)[NH2+]CCO)ccn12 ZINC001448831647 913415596 /nfs/dbraw/zinc/41/55/96/913415596.db2.gz ATSQGCPIXJQNNN-LBPRGKRZSA-N 2 2 292.339 -0.685 20 0 CBADLP [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)NCCn1cc[nH+]c1)C2 ZINC001345910442 890177981 /nfs/dbraw/zinc/17/79/81/890177981.db2.gz AGNCZDHABIKWMQ-SRVKXCTJSA-N 2 2 291.355 -0.663 20 0 CBADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@@H](C)C[NH2+]C ZINC001345991808 890189300 /nfs/dbraw/zinc/18/93/00/890189300.db2.gz FGNBVKVPOOHALP-VHSXEESVSA-N 2 2 257.334 -0.795 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)CC1(C[NH3+])CC1 ZINC001346013722 890194354 /nfs/dbraw/zinc/19/43/54/890194354.db2.gz GATJWWAJGODURB-JTQLQIEISA-N 2 2 269.345 -0.521 20 0 CBADLP O[C@H](C[NH2+][C@H]1Cc2c[nH+]cn2C1)C1(O)CCOCC1 ZINC001346340095 890271523 /nfs/dbraw/zinc/27/15/23/890271523.db2.gz OPOGEEOGNORROJ-CMPLNLGQSA-N 2 2 267.329 -0.700 20 0 CBADLP C[C@@H](O)C[NH2+][C@@H](CO)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001448873441 913436374 /nfs/dbraw/zinc/43/63/74/913436374.db2.gz HBPRKNIRNKYCDU-MWLCHTKSSA-N 2 2 292.339 -0.376 20 0 CBADLP O=C(C[NH+]1CCC(CO)CC1)NCC[NH+]1CC=CC1 ZINC001346883196 890366638 /nfs/dbraw/zinc/36/66/38/890366638.db2.gz OIINJCGQQYPZIQ-UHFFFAOYSA-N 2 2 267.373 -0.321 20 0 CBADLP C[C@H]([NH2+][C@@H](CO)CNC(=O)CC[NH+](C)C)c1ncccn1 ZINC001448887640 913443923 /nfs/dbraw/zinc/44/39/23/913443923.db2.gz KEALYDALJJAIRT-NWDGAFQWSA-N 2 2 295.387 -0.444 20 0 CBADLP [NH3+]CCCCNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001347062228 890396429 /nfs/dbraw/zinc/39/64/29/890396429.db2.gz ZRUUHZFCFROVTM-GFCCVEGCSA-N 2 2 270.377 -0.159 20 0 CBADLP COC[C@H](C)[NH2+][C@@H](CO)CNC(=O)Cc1c[nH+]cn1C ZINC001448947983 913466824 /nfs/dbraw/zinc/46/68/24/913466824.db2.gz OUZQRTDWSMZZTD-WDEREUQCSA-N 2 2 284.360 -0.936 20 0 CBADLP Cn1ncc2c1nc(C[N@H+](C)CCOCC[NH3+])[nH]c2=O ZINC001348448004 890627619 /nfs/dbraw/zinc/62/76/19/890627619.db2.gz ULMCGNURZQCNEP-UHFFFAOYSA-N 2 2 280.332 -0.524 20 0 CBADLP Cn1ncc2c1nc(C[N@@H+](C)CCOCC[NH3+])[nH]c2=O ZINC001348448004 890627629 /nfs/dbraw/zinc/62/76/29/890627629.db2.gz ULMCGNURZQCNEP-UHFFFAOYSA-N 2 2 280.332 -0.524 20 0 CBADLP C[C@H](C(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1)[NH+](C)C ZINC001348944490 890732454 /nfs/dbraw/zinc/73/24/54/890732454.db2.gz QMBQITOAEGSKAK-ZJUUUORDSA-N 2 2 256.350 -0.998 20 0 CBADLP C[C@H](C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1)[NH+](C)C ZINC001348944490 890732472 /nfs/dbraw/zinc/73/24/72/890732472.db2.gz QMBQITOAEGSKAK-ZJUUUORDSA-N 2 2 256.350 -0.998 20 0 CBADLP C[C@H]1C[C@H]([NH2+]CC(=O)N(C)C)CN1C(=O)Cn1cc[nH+]c1 ZINC001449014123 913483944 /nfs/dbraw/zinc/48/39/44/913483944.db2.gz KQGPXGASGBULTO-RYUDHWBXSA-N 2 2 293.371 -0.450 20 0 CBADLP C[C@@H]1C[C@H]([NH2+]CC(=O)N(C)C)CN1C(=O)Cn1cc[nH+]c1 ZINC001449014112 913484138 /nfs/dbraw/zinc/48/41/38/913484138.db2.gz KQGPXGASGBULTO-NEPJUHHUSA-N 2 2 293.371 -0.450 20 0 CBADLP CC[C@H](C(=O)NCCNC(=O)Cn1cc[nH+]c1)[NH+](C)C ZINC001349261444 890783235 /nfs/dbraw/zinc/78/32/35/890783235.db2.gz BIPYNTNJQVMXJB-LLVKDONJSA-N 2 2 281.360 -0.544 20 0 CBADLP CS(=O)(=O)NCC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001349839361 890903516 /nfs/dbraw/zinc/90/35/16/890903516.db2.gz LKDIDLVWYKENAD-GFCCVEGCSA-N 2 2 291.417 -0.622 20 0 CBADLP Cn1c[nH+]cc1[C@@H](CO)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001350563461 891006904 /nfs/dbraw/zinc/00/69/04/891006904.db2.gz ZQDFCVUPBJWOPR-WDEREUQCSA-N 2 2 266.345 -0.089 20 0 CBADLP Cn1c[nH+]cc1[C@@H](CO)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001350563461 891006916 /nfs/dbraw/zinc/00/69/16/891006916.db2.gz ZQDFCVUPBJWOPR-WDEREUQCSA-N 2 2 266.345 -0.089 20 0 CBADLP O=C1C[C@H](CC[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)CN1 ZINC001350953922 891077676 /nfs/dbraw/zinc/07/76/76/891077676.db2.gz AEXWQXZEBSLYAV-VHRBIJSZSA-N 2 2 267.373 -0.131 20 0 CBADLP C[C@H]([NH3+])CN(C)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC001351538881 891151803 /nfs/dbraw/zinc/15/18/03/891151803.db2.gz KUXZOSNGDPCQKE-WDEREUQCSA-N 2 2 258.366 -0.304 20 0 CBADLP C[C@H]([NH3+])CN(C)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC001351538881 891151811 /nfs/dbraw/zinc/15/18/11/891151811.db2.gz KUXZOSNGDPCQKE-WDEREUQCSA-N 2 2 258.366 -0.304 20 0 CBADLP C[C@H](O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001449203232 913541849 /nfs/dbraw/zinc/54/18/49/913541849.db2.gz XXKRYZAOYRPDLP-WCQYABFASA-N 2 2 298.387 -0.526 20 0 CBADLP C[C@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001449203232 913541872 /nfs/dbraw/zinc/54/18/72/913541872.db2.gz XXKRYZAOYRPDLP-WCQYABFASA-N 2 2 298.387 -0.526 20 0 CBADLP C[C@H](O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001449203232 913541887 /nfs/dbraw/zinc/54/18/87/913541887.db2.gz XXKRYZAOYRPDLP-WCQYABFASA-N 2 2 298.387 -0.526 20 0 CBADLP C[C@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001449203232 913541902 /nfs/dbraw/zinc/54/19/02/913541902.db2.gz XXKRYZAOYRPDLP-WCQYABFASA-N 2 2 298.387 -0.526 20 0 CBADLP [NH3+][C@H](CC(=O)NCCC[NH+]1CCC(O)CC1)C(F)F ZINC001353483418 891434147 /nfs/dbraw/zinc/43/41/47/891434147.db2.gz VUNTUQHZNRSXEW-SNVBAGLBSA-N 2 2 279.331 -0.068 20 0 CBADLP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CCn2c[nH+]cc2C1 ZINC001354018578 891498718 /nfs/dbraw/zinc/49/87/18/891498718.db2.gz HPZFKWXRKCVFGM-WCQYABFASA-N 2 2 264.329 -0.320 20 0 CBADLP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CCn2c[nH+]cc2C1 ZINC001354018578 891498726 /nfs/dbraw/zinc/49/87/26/891498726.db2.gz HPZFKWXRKCVFGM-WCQYABFASA-N 2 2 264.329 -0.320 20 0 CBADLP O=C(C[N@@H+]1CCOC[C@@H]1CC1CC1)N1CC[NH2+]CC1 ZINC001354185852 891530166 /nfs/dbraw/zinc/53/01/66/891530166.db2.gz WVFJWVOMVZOEEX-ZDUSSCGKSA-N 2 2 267.373 -0.081 20 0 CBADLP O=C(C[N@H+]1CCOC[C@@H]1CC1CC1)N1CC[NH2+]CC1 ZINC001354185852 891530177 /nfs/dbraw/zinc/53/01/77/891530177.db2.gz WVFJWVOMVZOEEX-ZDUSSCGKSA-N 2 2 267.373 -0.081 20 0 CBADLP C[NH2+]CCCCC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC001354369043 891571634 /nfs/dbraw/zinc/57/16/34/891571634.db2.gz DMEMALVHNGMZRC-CYBMUJFWSA-N 2 2 287.404 -0.472 20 0 CBADLP CNC(=O)C1(C(=O)NCC[NH+]2CCC([NH3+])CC2)CC1 ZINC001354770778 891614022 /nfs/dbraw/zinc/61/40/22/891614022.db2.gz FJFKGGNDYQYGBM-UHFFFAOYSA-N 2 2 268.361 -0.948 20 0 CBADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC001354853880 891625406 /nfs/dbraw/zinc/62/54/06/891625406.db2.gz IRUGBRQPJNCQQP-IJLUTSLNSA-N 2 2 255.362 -0.049 20 0 CBADLP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)NCCc1cn(C)c[nH+]1 ZINC001356427118 891755968 /nfs/dbraw/zinc/75/59/68/891755968.db2.gz GIOHPHZDHMHNJU-MNOVXSKESA-N 2 2 293.371 -0.950 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2[C@@H]3CC[NH2+]C[C@@H]32)CCO1 ZINC001357385615 891881392 /nfs/dbraw/zinc/88/13/92/891881392.db2.gz XKZHZMYAWVPUDK-FVCCEPFGSA-N 2 2 267.373 -0.321 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2[C@@H]3CC[NH2+]C[C@@H]32)CCO1 ZINC001357385615 891881400 /nfs/dbraw/zinc/88/14/00/891881400.db2.gz XKZHZMYAWVPUDK-FVCCEPFGSA-N 2 2 267.373 -0.321 20 0 CBADLP CN(CCCn1cc[nH+]c1)C(=O)C1(C[NH3+])CC(O)C1 ZINC001357553651 891913997 /nfs/dbraw/zinc/91/39/97/891913997.db2.gz TXPGZHDIVHUSEG-UHFFFAOYSA-N 2 2 266.345 -0.169 20 0 CBADLP Cc1[nH+]ccn1CCCC(=O)N1CC[NH2+]C[C@H]1CO ZINC001358028502 891961322 /nfs/dbraw/zinc/96/13/22/891961322.db2.gz NVCPNKMZVCCGLL-LBPRGKRZSA-N 2 2 266.345 -0.236 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)[C@@]2(F)CC[NH2+]C2)CC1 ZINC001358120095 891974899 /nfs/dbraw/zinc/97/48/99/891974899.db2.gz VIUYFJIOKFTIMX-GFCCVEGCSA-N 3 2 258.341 -0.773 20 0 CBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@]1(O)CCOC1 ZINC001362041172 892388827 /nfs/dbraw/zinc/38/88/27/892388827.db2.gz PQTDPLICHYERNO-OAHLLOKOSA-N 2 2 299.415 -0.378 20 0 CBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@]1(O)CCOC1 ZINC001362041172 892388843 /nfs/dbraw/zinc/38/88/43/892388843.db2.gz PQTDPLICHYERNO-OAHLLOKOSA-N 2 2 299.415 -0.378 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C3(O)COC3)C2)CC1 ZINC001362073382 892416685 /nfs/dbraw/zinc/41/66/85/892416685.db2.gz KRECKOVYVMEJKB-NSHDSACASA-N 2 2 283.372 -0.968 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C3(O)COC3)C2)CC1 ZINC001362073382 892416687 /nfs/dbraw/zinc/41/66/87/892416687.db2.gz KRECKOVYVMEJKB-NSHDSACASA-N 2 2 283.372 -0.968 20 0 CBADLP C[C@H](CC(N)=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001362269050 892554411 /nfs/dbraw/zinc/55/44/11/892554411.db2.gz KRIKFVYHQKGFEL-NEPJUHHUSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@H](CC(N)=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001362269050 892554420 /nfs/dbraw/zinc/55/44/20/892554420.db2.gz KRIKFVYHQKGFEL-NEPJUHHUSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@@H](C[NH2+]Cc1cn(CC(N)=O)nn1)Cn1cc[nH+]c1 ZINC001363368928 893621176 /nfs/dbraw/zinc/62/11/76/893621176.db2.gz KLCYYWFTBREHBO-JTQLQIEISA-N 2 2 277.332 -0.614 20 0 CBADLP CC[N@@H+]1CC[C@H]1C(=O)N1CC[NH+](C)C[C@H](C(=O)OC)C1 ZINC001363446553 893688249 /nfs/dbraw/zinc/68/82/49/893688249.db2.gz BOEVSBUAWWAPLK-RYUDHWBXSA-N 2 2 283.372 -0.356 20 0 CBADLP CC[N@H+]1CC[C@H]1C(=O)N1CC[NH+](C)C[C@H](C(=O)OC)C1 ZINC001363446553 893688252 /nfs/dbraw/zinc/68/82/52/893688252.db2.gz BOEVSBUAWWAPLK-RYUDHWBXSA-N 2 2 283.372 -0.356 20 0 CBADLP CC[NH+]1CC[C@H]1C(=O)N1CC[N@H+](C)C[C@H](C(=O)OC)C1 ZINC001363446553 893688256 /nfs/dbraw/zinc/68/82/56/893688256.db2.gz BOEVSBUAWWAPLK-RYUDHWBXSA-N 2 2 283.372 -0.356 20 0 CBADLP CC[NH+]1CC[C@H]1C(=O)N1CC[N@@H+](C)C[C@H](C(=O)OC)C1 ZINC001363446553 893688259 /nfs/dbraw/zinc/68/82/59/893688259.db2.gz BOEVSBUAWWAPLK-RYUDHWBXSA-N 2 2 283.372 -0.356 20 0 CBADLP CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H](C)CC[NH+](C)C ZINC001363542378 893780589 /nfs/dbraw/zinc/78/05/89/893780589.db2.gz GIBLNLTVGMGZMN-JQWIXIFHSA-N 2 2 295.387 -0.229 20 0 CBADLP CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H](C)CC[NH+](C)C ZINC001363542378 893780603 /nfs/dbraw/zinc/78/06/03/893780603.db2.gz GIBLNLTVGMGZMN-JQWIXIFHSA-N 2 2 295.387 -0.229 20 0 CBADLP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCc1c[nH+]c2n1CCC2 ZINC001363569306 893803311 /nfs/dbraw/zinc/80/33/11/893803311.db2.gz GSBVQNSPNUCXNZ-SMDDNHRTSA-N 2 2 278.356 -0.099 20 0 CBADLP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCc1c[nH+]c2n1CCC2 ZINC001363569306 893803330 /nfs/dbraw/zinc/80/33/30/893803330.db2.gz GSBVQNSPNUCXNZ-SMDDNHRTSA-N 2 2 278.356 -0.099 20 0 CBADLP CC[N@H+](CCNS(=O)(=O)N1CC[NH+](C)CC1)C(C)C ZINC001363880312 894077399 /nfs/dbraw/zinc/07/73/99/894077399.db2.gz JXENLYSRSGGTEK-UHFFFAOYSA-N 2 2 292.449 -0.202 20 0 CBADLP CC[N@@H+](CCNS(=O)(=O)N1CC[NH+](C)CC1)C(C)C ZINC001363880312 894077412 /nfs/dbraw/zinc/07/74/12/894077412.db2.gz JXENLYSRSGGTEK-UHFFFAOYSA-N 2 2 292.449 -0.202 20 0 CBADLP C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1nnnn1C ZINC001364541695 894487627 /nfs/dbraw/zinc/48/76/27/894487627.db2.gz CUJMEJAHVYRMRO-SNVBAGLBSA-N 2 2 281.364 -0.975 20 0 CBADLP C[C@H](CN1CC[N@H+](CCO)[C@H](C)C1)C[NH+]1CCOCC1 ZINC001364691502 894568642 /nfs/dbraw/zinc/56/86/42/894568642.db2.gz UGDNTHZGVBQFGX-LSDHHAIUSA-N 2 2 285.432 -0.047 20 0 CBADLP C[C@H](CN1CC[N@@H+](CCO)[C@H](C)C1)C[NH+]1CCOCC1 ZINC001364691502 894568651 /nfs/dbraw/zinc/56/86/51/894568651.db2.gz UGDNTHZGVBQFGX-LSDHHAIUSA-N 2 2 285.432 -0.047 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCN1CCN(CC[NH+](C)C)C(=O)C1 ZINC001364741689 894594169 /nfs/dbraw/zinc/59/41/69/894594169.db2.gz IYZXQAIRFLSICU-CQSZACIVSA-N 2 2 298.431 -0.587 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCN1CCN(CC[NH+](C)C)C(=O)C1 ZINC001364741689 894594178 /nfs/dbraw/zinc/59/41/78/894594178.db2.gz IYZXQAIRFLSICU-CQSZACIVSA-N 2 2 298.431 -0.587 20 0 CBADLP Cn1c[nH+]c(CCNC(=O)NCC2(O)CC[NH+](C)CC2)c1 ZINC001365395513 894937826 /nfs/dbraw/zinc/93/78/26/894937826.db2.gz ARJUXNGSIUHFOU-UHFFFAOYSA-N 2 2 295.387 -0.282 20 0 CBADLP C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)C1)C(N)=O ZINC001365807327 895124998 /nfs/dbraw/zinc/12/49/98/895124998.db2.gz ALAAZBSDPJKFEK-JBLDHEPKSA-N 2 2 293.371 -0.300 20 0 CBADLP C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)C1)C(N)=O ZINC001365807327 895125006 /nfs/dbraw/zinc/12/50/06/895125006.db2.gz ALAAZBSDPJKFEK-JBLDHEPKSA-N 2 2 293.371 -0.300 20 0 CBADLP CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001365973702 895157026 /nfs/dbraw/zinc/15/70/26/895157026.db2.gz QBCNVYTWCIGLIP-NEPJUHHUSA-N 2 2 282.388 -0.593 20 0 CBADLP CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001365973702 895157039 /nfs/dbraw/zinc/15/70/39/895157039.db2.gz QBCNVYTWCIGLIP-NEPJUHHUSA-N 2 2 282.388 -0.593 20 0 CBADLP CCNC(=O)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001365973702 895157048 /nfs/dbraw/zinc/15/70/48/895157048.db2.gz QBCNVYTWCIGLIP-NEPJUHHUSA-N 2 2 282.388 -0.593 20 0 CBADLP CCNC(=O)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001365973702 895157057 /nfs/dbraw/zinc/15/70/57/895157057.db2.gz QBCNVYTWCIGLIP-NEPJUHHUSA-N 2 2 282.388 -0.593 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001365983777 895161011 /nfs/dbraw/zinc/16/10/11/895161011.db2.gz LUVAMWPKQYPENW-WCQYABFASA-N 2 2 284.404 -0.491 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001365983777 895161015 /nfs/dbraw/zinc/16/10/15/895161015.db2.gz LUVAMWPKQYPENW-WCQYABFASA-N 2 2 284.404 -0.491 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001365980994 895162418 /nfs/dbraw/zinc/16/24/18/895162418.db2.gz SAJVXONBDUOQDS-RYUDHWBXSA-N 2 2 296.415 -0.204 20 0 CBADLP CNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001365980994 895162428 /nfs/dbraw/zinc/16/24/28/895162428.db2.gz SAJVXONBDUOQDS-RYUDHWBXSA-N 2 2 296.415 -0.204 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001366124132 895197256 /nfs/dbraw/zinc/19/72/56/895197256.db2.gz JILDMZNUKAHIGE-GUBZILKMSA-N 2 2 279.344 -0.677 20 0 CBADLP COC[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001366144620 895204240 /nfs/dbraw/zinc/20/42/40/895204240.db2.gz CRJRPCRRLXLMFH-FRRDWIJNSA-N 2 2 296.371 -0.414 20 0 CBADLP COC[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001366144620 895204252 /nfs/dbraw/zinc/20/42/52/895204252.db2.gz CRJRPCRRLXLMFH-FRRDWIJNSA-N 2 2 296.371 -0.414 20 0 CBADLP C[C@@H]([NH2+]C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1)C(N)=O ZINC001366222699 895226048 /nfs/dbraw/zinc/22/60/48/895226048.db2.gz BAMVCVSEPICVKB-VXGBXAGGSA-N 2 2 293.371 -0.272 20 0 CBADLP C[C@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+]CC(=O)N(C)C ZINC001366280843 895256818 /nfs/dbraw/zinc/25/68/18/895256818.db2.gz BEDHINZNUNXQFB-SNVBAGLBSA-N 2 2 281.360 -0.475 20 0 CBADLP C[C@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH2+]CC(=O)N(C)C ZINC001366280843 895256827 /nfs/dbraw/zinc/25/68/27/895256827.db2.gz BEDHINZNUNXQFB-SNVBAGLBSA-N 2 2 281.360 -0.475 20 0 CBADLP C[C@@H](CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1)[NH2+]CCO ZINC001366286673 895258313 /nfs/dbraw/zinc/25/83/13/895258313.db2.gz HYXDWYZWMVRWOE-GXFFZTMASA-N 2 2 295.387 -0.123 20 0 CBADLP C[C@@H](CNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1)[NH2+]CCO ZINC001366286673 895258320 /nfs/dbraw/zinc/25/83/20/895258320.db2.gz HYXDWYZWMVRWOE-GXFFZTMASA-N 2 2 295.387 -0.123 20 0 CBADLP COC[C@@H](O)C[NH2+][C@@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001366351961 895291083 /nfs/dbraw/zinc/29/10/83/895291083.db2.gz WKIWMRHYUBAOJV-ONGXEEELSA-N 2 2 270.333 -0.946 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)[NH2+]Cc1cnnn1C ZINC001366366345 895294629 /nfs/dbraw/zinc/29/46/29/895294629.db2.gz XZONJUGCHRFNQV-VIFPVBQESA-N 2 2 291.359 -0.316 20 0 CBADLP CC[C@H]([NH2+][C@@H](C)CNC(=O)Cc1[nH]c[nH+]c1C)C(N)=O ZINC001366363824 895295719 /nfs/dbraw/zinc/29/57/19/895295719.db2.gz SXWMWRIGGVACGH-WPRPVWTQSA-N 2 2 281.360 -0.381 20 0 CBADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CC(=O)N1CCCC1 ZINC001366375038 895301087 /nfs/dbraw/zinc/30/10/87/895301087.db2.gz QRVCRFRKODYFDZ-LBPRGKRZSA-N 2 2 293.371 -0.400 20 0 CBADLP C[C@H]([NH2+]C[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1)C(N)=O ZINC001366410612 895312306 /nfs/dbraw/zinc/31/23/06/895312306.db2.gz BKHBEXFKPHVHLX-NWDGAFQWSA-N 2 2 293.371 -0.415 20 0 CBADLP CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001366417180 895318866 /nfs/dbraw/zinc/31/88/66/895318866.db2.gz WOQLARVJSAWKEX-LLVKDONJSA-N 2 2 293.371 -0.853 20 0 CBADLP NC(=O)C[NH2+][C@H]1CCC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001366433157 895321201 /nfs/dbraw/zinc/32/12/01/895321201.db2.gz NGSFLWONBNOJGM-QWRGUYRKSA-N 2 2 293.371 -0.155 20 0 CBADLP NC(=O)C[NH2+][C@H]1CCC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001366433157 895321217 /nfs/dbraw/zinc/32/12/17/895321217.db2.gz NGSFLWONBNOJGM-QWRGUYRKSA-N 2 2 293.371 -0.155 20 0 CBADLP C[C@@H](CCNC(=O)CCn1cc[nH+]c1)[NH2+][C@@H](C)C(N)=O ZINC001366471917 895328790 /nfs/dbraw/zinc/32/87/90/895328790.db2.gz LKJAXNBHYSDROB-QWRGUYRKSA-N 2 2 281.360 -0.369 20 0 CBADLP CNC(=O)C[NH+](C)CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001366541340 895369765 /nfs/dbraw/zinc/36/97/65/895369765.db2.gz PPEXGVDBROLEHH-GFCCVEGCSA-N 2 2 284.404 -0.345 20 0 CBADLP CNC(=O)C[NH+](C)CCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001366541340 895369779 /nfs/dbraw/zinc/36/97/79/895369779.db2.gz PPEXGVDBROLEHH-GFCCVEGCSA-N 2 2 284.404 -0.345 20 0 CBADLP CNC(=O)C[N@H+](C)CCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001366541340 895369733 /nfs/dbraw/zinc/36/97/33/895369733.db2.gz PPEXGVDBROLEHH-GFCCVEGCSA-N 2 2 284.404 -0.345 20 0 CBADLP CNC(=O)C[N@@H+](C)CCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001366541340 895369748 /nfs/dbraw/zinc/36/97/48/895369748.db2.gz PPEXGVDBROLEHH-GFCCVEGCSA-N 2 2 284.404 -0.345 20 0 CBADLP C[N@H+](CCCO)CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001366546251 895373078 /nfs/dbraw/zinc/37/30/78/895373078.db2.gz NFNHQPPAHYBVAP-GFCCVEGCSA-N 2 2 280.372 -0.124 20 0 CBADLP C[N@@H+](CCCO)CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001366546251 895373091 /nfs/dbraw/zinc/37/30/91/895373091.db2.gz NFNHQPPAHYBVAP-GFCCVEGCSA-N 2 2 280.372 -0.124 20 0 CBADLP CCNC(=O)C[N@H+](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001366584914 895393286 /nfs/dbraw/zinc/39/32/86/895393286.db2.gz NGHNEZJWMRDXKC-UHFFFAOYSA-N 2 2 282.388 -0.734 20 0 CBADLP CCNC(=O)C[N@@H+](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001366584914 895393295 /nfs/dbraw/zinc/39/32/95/895393295.db2.gz NGHNEZJWMRDXKC-UHFFFAOYSA-N 2 2 282.388 -0.734 20 0 CBADLP CC[N@H+](CCNC(=O)Cc1c[nH+]cn1C)[C@@H](C)C(=O)NC ZINC001366639893 895416756 /nfs/dbraw/zinc/41/67/56/895416756.db2.gz SCYIFTQPFLBGBT-NSHDSACASA-N 2 2 295.387 -0.465 20 0 CBADLP CC[N@@H+](CCNC(=O)Cc1c[nH+]cn1C)[C@@H](C)C(=O)NC ZINC001366639893 895416761 /nfs/dbraw/zinc/41/67/61/895416761.db2.gz SCYIFTQPFLBGBT-NSHDSACASA-N 2 2 295.387 -0.465 20 0 CBADLP COC[C@@H](O)C[NH+]1CC(NC(=O)C[N@H+](C)C(C)C)C1 ZINC001366958058 895506281 /nfs/dbraw/zinc/50/62/81/895506281.db2.gz YIHIBPIWLAGQMA-LBPRGKRZSA-N 2 2 273.377 -0.866 20 0 CBADLP COC[C@@H](O)C[NH+]1CC(NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001366958058 895506290 /nfs/dbraw/zinc/50/62/90/895506290.db2.gz YIHIBPIWLAGQMA-LBPRGKRZSA-N 2 2 273.377 -0.866 20 0 CBADLP C[NH+](C)CCC(=O)NCC1C[NH+](CC(=O)NC2CC2)C1 ZINC001366977902 895512975 /nfs/dbraw/zinc/51/29/75/895512975.db2.gz RRLQLTCMNHEBQA-UHFFFAOYSA-N 2 2 282.388 -0.735 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CC(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001366990699 895515453 /nfs/dbraw/zinc/51/54/53/895515453.db2.gz WINVVRYFTDZBLU-GFCCVEGCSA-N 2 2 296.415 -0.216 20 0 CBADLP C[C@H](O)C[N@@H+]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001367018787 895530131 /nfs/dbraw/zinc/53/01/31/895530131.db2.gz SECZSTIMBBKDQL-RYUDHWBXSA-N 2 2 280.372 -0.076 20 0 CBADLP C[C@H](O)C[N@H+]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001367018787 895530139 /nfs/dbraw/zinc/53/01/39/895530139.db2.gz SECZSTIMBBKDQL-RYUDHWBXSA-N 2 2 280.372 -0.076 20 0 CBADLP Cn1nncc1C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001367016192 895531029 /nfs/dbraw/zinc/53/10/29/895531029.db2.gz SMXISGYNBOZRTA-NSHDSACASA-N 2 2 280.376 -0.543 20 0 CBADLP Cn1nncc1C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001367016192 895531040 /nfs/dbraw/zinc/53/10/40/895531040.db2.gz SMXISGYNBOZRTA-NSHDSACASA-N 2 2 280.376 -0.543 20 0 CBADLP CC[C@@H](CNC(=O)CCn1cc[nH+]c1)[NH2+][C@H](C)C(N)=O ZINC001367114894 895565749 /nfs/dbraw/zinc/56/57/49/895565749.db2.gz KTCPRJLNCONSRU-MNOVXSKESA-N 2 2 281.360 -0.369 20 0 CBADLP CC[C@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+][C@H](CC)C(N)=O ZINC001367137646 895574562 /nfs/dbraw/zinc/57/45/62/895574562.db2.gz LMSHFYCMNKAKKR-ZYHUDNBSSA-N 2 2 295.387 -0.289 20 0 CBADLP C[C@H]([NH2+]C[C@@](C)(NC(=O)Cc1c[nH]c[nH+]1)C1CC1)C(N)=O ZINC001367183882 895580012 /nfs/dbraw/zinc/58/00/12/895580012.db2.gz VCTFGBFFQZTXFY-LKFCYVNXSA-N 2 2 293.371 -0.300 20 0 CBADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+][C@H]1CCCNC1=O ZINC001367281063 895600821 /nfs/dbraw/zinc/60/08/21/895600821.db2.gz BGYODDFYLXYOLV-RYUDHWBXSA-N 2 2 293.371 -0.496 20 0 CBADLP C[C@@H](C[NH2+]CC(N)=O)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001367352499 895622507 /nfs/dbraw/zinc/62/25/07/895622507.db2.gz AJKCGYQDOAVHML-IVZWLZJFSA-N 2 2 279.344 -0.565 20 0 CBADLP CC(C)C[C@@H](C[NH2+]CC(N)=O)NC(=O)Cc1c[nH+]cn1C ZINC001367421974 895635818 /nfs/dbraw/zinc/63/58/18/895635818.db2.gz AEUOOSRUMDMKHZ-NSHDSACASA-N 2 2 295.387 -0.432 20 0 CBADLP CN(CC[N@H+](C)[C@@H]1CCNC1=O)C(=O)[C@H]1CCCC[NH+]1C ZINC001367519331 895652090 /nfs/dbraw/zinc/65/20/90/895652090.db2.gz AHHBVGZQAMMRMK-CHWSQXEVSA-N 2 2 296.415 -0.251 20 0 CBADLP CN(CC[N@@H+](C)[C@@H]1CCNC1=O)C(=O)[C@H]1CCCC[NH+]1C ZINC001367519331 895652100 /nfs/dbraw/zinc/65/21/00/895652100.db2.gz AHHBVGZQAMMRMK-CHWSQXEVSA-N 2 2 296.415 -0.251 20 0 CBADLP CN(CC[NH+](C)[C@@H]1CCNC1=O)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001367519331 895652104 /nfs/dbraw/zinc/65/21/04/895652104.db2.gz AHHBVGZQAMMRMK-CHWSQXEVSA-N 2 2 296.415 -0.251 20 0 CBADLP CN(CC[NH+](C)[C@@H]1CCNC1=O)C(=O)[C@H]1CCCC[N@H+]1C ZINC001367519331 895652113 /nfs/dbraw/zinc/65/21/13/895652113.db2.gz AHHBVGZQAMMRMK-CHWSQXEVSA-N 2 2 296.415 -0.251 20 0 CBADLP CCNC(=O)C[N@H+](C)CCN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001367524640 895653566 /nfs/dbraw/zinc/65/35/66/895653566.db2.gz QXFNGPWUHQUXGE-CYBMUJFWSA-N 2 2 298.431 -0.003 20 0 CBADLP CCNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001367524640 895653572 /nfs/dbraw/zinc/65/35/72/895653572.db2.gz QXFNGPWUHQUXGE-CYBMUJFWSA-N 2 2 298.431 -0.003 20 0 CBADLP CCNC(=O)C[NH+](C)CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001367524640 895653582 /nfs/dbraw/zinc/65/35/82/895653582.db2.gz QXFNGPWUHQUXGE-CYBMUJFWSA-N 2 2 298.431 -0.003 20 0 CBADLP CCNC(=O)C[NH+](C)CCN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001367524640 895653593 /nfs/dbraw/zinc/65/35/93/895653593.db2.gz QXFNGPWUHQUXGE-CYBMUJFWSA-N 2 2 298.431 -0.003 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+](C)CCN(C)C(=O)Cn1cc[nH+]c1 ZINC001367553141 895660427 /nfs/dbraw/zinc/66/04/27/895660427.db2.gz NTFHPVOMZQWUCB-NSHDSACASA-N 2 2 281.360 -0.463 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)Cn1cc[nH+]c1 ZINC001367553141 895660433 /nfs/dbraw/zinc/66/04/33/895660433.db2.gz NTFHPVOMZQWUCB-NSHDSACASA-N 2 2 281.360 -0.463 20 0 CBADLP Cc1nonc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001367579767 895678115 /nfs/dbraw/zinc/67/81/15/895678115.db2.gz LLJOYBWHDXVXHL-JQWIXIFHSA-N 2 2 297.359 -0.961 20 0 CBADLP Cc1nonc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001367579767 895678122 /nfs/dbraw/zinc/67/81/22/895678122.db2.gz LLJOYBWHDXVXHL-JQWIXIFHSA-N 2 2 297.359 -0.961 20 0 CBADLP Cc1noc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001367608823 895699789 /nfs/dbraw/zinc/69/97/89/895699789.db2.gz SNCSDDVCRHUPQT-WDEREUQCSA-N 2 2 297.359 -0.961 20 0 CBADLP Cc1noc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001367608823 895699798 /nfs/dbraw/zinc/69/97/98/895699798.db2.gz SNCSDDVCRHUPQT-WDEREUQCSA-N 2 2 297.359 -0.961 20 0 CBADLP Cc1nocc1C[NH2+]C[C@@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001367624541 895707775 /nfs/dbraw/zinc/70/77/75/895707775.db2.gz AYLOHMZNXBRXIL-GFCCVEGCSA-N 2 2 293.327 -0.554 20 0 CBADLP Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)C[N@@H+](C)C(C)C)[nH]1 ZINC001367630739 895715057 /nfs/dbraw/zinc/71/50/57/895715057.db2.gz OJQYVWDTDHJPQE-LLVKDONJSA-N 2 2 298.391 -0.980 20 0 CBADLP Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)C[N@H+](C)C(C)C)[nH]1 ZINC001367630739 895715069 /nfs/dbraw/zinc/71/50/69/895715069.db2.gz OJQYVWDTDHJPQE-LLVKDONJSA-N 2 2 298.391 -0.980 20 0 CBADLP C[C@@H](CC[NH2+][C@H]1CCNC1=O)NC(=O)Cc1[nH]cc[nH+]1 ZINC001367633901 895716681 /nfs/dbraw/zinc/71/66/81/895716681.db2.gz FRIFZBHDFXTPQO-UWVGGRQHSA-N 2 2 279.344 -0.675 20 0 CBADLP CCN(CC[NH2+][C@H](C)C(=O)N(C)C)C(=O)Cc1[nH]cc[nH+]1 ZINC001367655051 895726368 /nfs/dbraw/zinc/72/63/68/895726368.db2.gz JLRCRSJBAHNYEP-LLVKDONJSA-N 2 2 295.387 -0.133 20 0 CBADLP CC(C)CNC(=O)C[NH2+]C[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001367696206 895750843 /nfs/dbraw/zinc/75/08/43/895750843.db2.gz BVVURVKKWPABDX-LLVKDONJSA-N 2 2 295.387 -0.181 20 0 CBADLP C[C@@H]([NH2+]C[C@H](C)NC(=O)Cc1[nH]cc[nH+]1)C(=O)NC1CC1 ZINC001367762734 895797183 /nfs/dbraw/zinc/79/71/83/895797183.db2.gz GYWUWRSANFORIM-VHSXEESVSA-N 2 2 293.371 -0.286 20 0 CBADLP COC[C@@H](O)C[NH2+]C[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001367773926 895802933 /nfs/dbraw/zinc/80/29/33/895802933.db2.gz ZWTSCCYMUKISMS-JQWIXIFHSA-N 2 2 284.360 -0.936 20 0 CBADLP NC(=O)C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001367858343 895835111 /nfs/dbraw/zinc/83/51/11/895835111.db2.gz CNMXADIUULFJFP-CMPLNLGQSA-N 2 2 293.371 -0.298 20 0 CBADLP C[C@H](C[N@H+](C)[C@H](C)C(N)=O)NC(=O)CCCn1cc[nH+]c1 ZINC001367870870 895838777 /nfs/dbraw/zinc/83/87/77/895838777.db2.gz UZZATSMZFVSTAO-VXGBXAGGSA-N 2 2 295.387 -0.026 20 0 CBADLP C[C@H](C[N@@H+](C)[C@H](C)C(N)=O)NC(=O)CCCn1cc[nH+]c1 ZINC001367870870 895838796 /nfs/dbraw/zinc/83/87/96/895838796.db2.gz UZZATSMZFVSTAO-VXGBXAGGSA-N 2 2 295.387 -0.026 20 0 CBADLP CN(C(=O)C[N@@H+]1CC[C@H]1CNC(=O)CC[NH+](C)C)C1CC1 ZINC001367961823 895867801 /nfs/dbraw/zinc/86/78/01/895867801.db2.gz FUJOPYFWWFJIPN-ZDUSSCGKSA-N 2 2 296.415 -0.251 20 0 CBADLP CN(C(=O)C[N@H+]1CC[C@H]1CNC(=O)CC[NH+](C)C)C1CC1 ZINC001367961823 895867807 /nfs/dbraw/zinc/86/78/07/895867807.db2.gz FUJOPYFWWFJIPN-ZDUSSCGKSA-N 2 2 296.415 -0.251 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001367962337 895868654 /nfs/dbraw/zinc/86/86/54/895868654.db2.gz RHYJJFZYHNRUPP-NWDGAFQWSA-N 2 2 284.404 -0.347 20 0 CBADLP CNC(=O)[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001367962337 895868666 /nfs/dbraw/zinc/86/86/66/895868666.db2.gz RHYJJFZYHNRUPP-NWDGAFQWSA-N 2 2 284.404 -0.347 20 0 CBADLP CCC[N@H+](C)CCC(=O)NC[C@@H]1CC[NH+]1[C@@H]1CCNC1=O ZINC001367975206 895876470 /nfs/dbraw/zinc/87/64/70/895876470.db2.gz BELPYZYUSHZGAC-QWHCGFSZSA-N 2 2 296.415 -0.203 20 0 CBADLP CCC[N@@H+](C)CCC(=O)NC[C@@H]1CC[NH+]1[C@@H]1CCNC1=O ZINC001367975206 895876476 /nfs/dbraw/zinc/87/64/76/895876476.db2.gz BELPYZYUSHZGAC-QWHCGFSZSA-N 2 2 296.415 -0.203 20 0 CBADLP CCC[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+]1[C@@H]1CCNC1=O ZINC001367975206 895876486 /nfs/dbraw/zinc/87/64/86/895876486.db2.gz BELPYZYUSHZGAC-QWHCGFSZSA-N 2 2 296.415 -0.203 20 0 CBADLP CCC[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+]1[C@@H]1CCNC1=O ZINC001367975206 895876492 /nfs/dbraw/zinc/87/64/92/895876492.db2.gz BELPYZYUSHZGAC-QWHCGFSZSA-N 2 2 296.415 -0.203 20 0 CBADLP CCC[N@H+](C)CCC(=O)NC[C@H]1CC[NH+]1[C@@H]1CCNC1=O ZINC001367975199 895877226 /nfs/dbraw/zinc/87/72/26/895877226.db2.gz BELPYZYUSHZGAC-CHWSQXEVSA-N 2 2 296.415 -0.203 20 0 CBADLP CCC[N@@H+](C)CCC(=O)NC[C@H]1CC[NH+]1[C@@H]1CCNC1=O ZINC001367975199 895877239 /nfs/dbraw/zinc/87/72/39/895877239.db2.gz BELPYZYUSHZGAC-CHWSQXEVSA-N 2 2 296.415 -0.203 20 0 CBADLP CCC[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+]1[C@@H]1CCNC1=O ZINC001367975199 895877250 /nfs/dbraw/zinc/87/72/50/895877250.db2.gz BELPYZYUSHZGAC-CHWSQXEVSA-N 2 2 296.415 -0.203 20 0 CBADLP CCC[NH+](C)CCC(=O)NC[C@H]1CC[N@H+]1[C@@H]1CCNC1=O ZINC001367975199 895877261 /nfs/dbraw/zinc/87/72/61/895877261.db2.gz BELPYZYUSHZGAC-CHWSQXEVSA-N 2 2 296.415 -0.203 20 0 CBADLP CC[C@@H](C(=O)NCC1([NH2+]Cc2cnn(C)n2)CC1)[NH+](C)C ZINC001368020395 895892445 /nfs/dbraw/zinc/89/24/45/895892445.db2.gz POZYJYJVZSABLV-LBPRGKRZSA-N 2 2 294.403 -0.106 20 0 CBADLP Cc1[nH+]ccn1CCNC(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC001368046912 895898981 /nfs/dbraw/zinc/89/89/81/895898981.db2.gz WCYZQGDSNPPJKY-GFCCVEGCSA-N 2 2 295.387 -0.100 20 0 CBADLP Cc1[nH+]ccn1CCNC(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC001368046912 895898991 /nfs/dbraw/zinc/89/89/91/895898991.db2.gz WCYZQGDSNPPJKY-GFCCVEGCSA-N 2 2 295.387 -0.100 20 0 CBADLP COC[C@@H](O)C[NH+]1CC(N(C)C(=O)C[N@H+](C)C2CCC2)C1 ZINC001368069059 895902527 /nfs/dbraw/zinc/90/25/27/895902527.db2.gz WVYQZIKDQMHLKS-AWEZNQCLSA-N 2 2 299.415 -0.379 20 0 CBADLP COC[C@@H](O)C[NH+]1CC(N(C)C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001368069059 895902540 /nfs/dbraw/zinc/90/25/40/895902540.db2.gz WVYQZIKDQMHLKS-AWEZNQCLSA-N 2 2 299.415 -0.379 20 0 CBADLP CN(C(=O)COC1CC[NH+](C)CC1)C1C[NH+](CCO)C1 ZINC001368088098 895906518 /nfs/dbraw/zinc/90/65/18/895906518.db2.gz OUFMWIPELOZMQW-UHFFFAOYSA-N 2 2 285.388 -0.768 20 0 CBADLP C[C@H]([NH2+]C[C@]1(C)CCN(C(=O)Cc2c[nH+]c[nH]2)C1)C(N)=O ZINC001368202008 895934401 /nfs/dbraw/zinc/93/44/01/895934401.db2.gz YNCWYZRAPFBAJD-HZMBPMFUSA-N 2 2 293.371 -0.346 20 0 CBADLP COC[C@@H](C)[NH+]1CC(O)(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001368301362 895973117 /nfs/dbraw/zinc/97/31/17/895973117.db2.gz PCXQJCMSHDLPNA-GFCCVEGCSA-N 2 2 299.415 -0.332 20 0 CBADLP COC[C@@H](C)[NH+]1CC(O)(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001368301362 895973129 /nfs/dbraw/zinc/97/31/29/895973129.db2.gz PCXQJCMSHDLPNA-GFCCVEGCSA-N 2 2 299.415 -0.332 20 0 CBADLP C[C@H](O)C[NH+]1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001368310388 895976649 /nfs/dbraw/zinc/97/66/49/895976649.db2.gz UBQXSJQBUFKDPU-AVGNSLFASA-N 2 2 299.415 -0.740 20 0 CBADLP C[C@H](O)C[NH+]1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001368310388 895976661 /nfs/dbraw/zinc/97/66/61/895976661.db2.gz UBQXSJQBUFKDPU-AVGNSLFASA-N 2 2 299.415 -0.740 20 0 CBADLP O=C(CCn1cc[nH+]c1)N[C@@]1(CO)CCC[N@@H+](CCO)C1 ZINC001368370036 895992851 /nfs/dbraw/zinc/99/28/51/895992851.db2.gz GLMMVZBTVRJFCO-AWEZNQCLSA-N 2 2 296.371 -0.791 20 0 CBADLP O=C(CCn1cc[nH+]c1)N[C@@]1(CO)CCC[N@H+](CCO)C1 ZINC001368370036 895992855 /nfs/dbraw/zinc/99/28/55/895992855.db2.gz GLMMVZBTVRJFCO-AWEZNQCLSA-N 2 2 296.371 -0.791 20 0 CBADLP CN(C[C@@H]1CC[N@@H+]1CCCO)C(=O)Cc1c[nH+]cn1C ZINC001368426785 896007875 /nfs/dbraw/zinc/00/78/75/896007875.db2.gz CVGMYPNNIWLULH-LBPRGKRZSA-N 2 2 280.372 -0.122 20 0 CBADLP CN(C[C@@H]1CC[N@H+]1CCCO)C(=O)Cc1c[nH+]cn1C ZINC001368426785 896007890 /nfs/dbraw/zinc/00/78/90/896007890.db2.gz CVGMYPNNIWLULH-LBPRGKRZSA-N 2 2 280.372 -0.122 20 0 CBADLP CO[C@H](C)C[NH2+]C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001368506947 896023742 /nfs/dbraw/zinc/02/37/42/896023742.db2.gz GRVQCCQNYAZFPC-NEPJUHHUSA-N 2 2 296.371 -0.196 20 0 CBADLP C[C@H](O)C[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001368519521 896025898 /nfs/dbraw/zinc/02/58/98/896025898.db2.gz SYCQEQYJJNXSOJ-RYUDHWBXSA-N 2 2 282.344 -0.919 20 0 CBADLP C[C@@H](CCNC(=O)Cc1c[nH+]cn1C)[NH2+][C@@H](C)C(N)=O ZINC001368747722 896073707 /nfs/dbraw/zinc/07/37/07/896073707.db2.gz YYHDDWAKILGUCX-UWVGGRQHSA-N 2 2 281.360 -0.679 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]CC1CC(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001368821218 896092027 /nfs/dbraw/zinc/09/20/27/896092027.db2.gz UHAYOCGGUOYWCM-KPPDAEKUSA-N 2 2 293.371 -0.429 20 0 CBADLP CNC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001368854435 896100829 /nfs/dbraw/zinc/10/08/29/896100829.db2.gz AIBKRGYJBCGTQM-GHMZBOCLSA-N 2 2 281.360 -0.498 20 0 CBADLP Cc1cn(C(C)(C)C(=O)N[C@H](C)[C@@H](C)[NH2+]CC(N)=O)c[nH+]1 ZINC001368858359 896101149 /nfs/dbraw/zinc/10/11/49/896101149.db2.gz SJYCZIPEFSRTOY-GHMZBOCLSA-N 2 2 295.387 -0.105 20 0 CBADLP COC[C@@H](O)C[N@H+](C)[C@@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001368985331 896126125 /nfs/dbraw/zinc/12/61/25/896126125.db2.gz SCIQCVBQWJEJTL-JQWIXIFHSA-N 2 2 284.360 -0.604 20 0 CBADLP COC[C@@H](O)C[N@@H+](C)[C@@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001368985331 896126130 /nfs/dbraw/zinc/12/61/30/896126130.db2.gz SCIQCVBQWJEJTL-JQWIXIFHSA-N 2 2 284.360 -0.604 20 0 CBADLP COC[C@@H](O)C[N@H+](C)[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001368985338 896127777 /nfs/dbraw/zinc/12/77/77/896127777.db2.gz SCIQCVBQWJEJTL-PWSUYJOCSA-N 2 2 284.360 -0.604 20 0 CBADLP COC[C@@H](O)C[N@@H+](C)[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001368985338 896127783 /nfs/dbraw/zinc/12/77/83/896127783.db2.gz SCIQCVBQWJEJTL-PWSUYJOCSA-N 2 2 284.360 -0.604 20 0 CBADLP C[C@@H](NC(=O)CC1CC[NH+](C)CC1)C1C[NH+](CC(N)=O)C1 ZINC001369084832 896151280 /nfs/dbraw/zinc/15/12/80/896151280.db2.gz AQTZCOIVILYDKA-LLVKDONJSA-N 2 2 296.415 -0.360 20 0 CBADLP CC(C)[C@H](C(=O)N[C@H]1C[N@H+](CC(N)=O)CC1(C)C)[NH+](C)C ZINC001369110196 896153611 /nfs/dbraw/zinc/15/36/11/896153611.db2.gz DDSRNTMBGMROFS-WCQYABFASA-N 2 2 298.431 -0.116 20 0 CBADLP CC(C)[C@H](C(=O)N[C@H]1C[N@@H+](CC(N)=O)CC1(C)C)[NH+](C)C ZINC001369110196 896153614 /nfs/dbraw/zinc/15/36/14/896153614.db2.gz DDSRNTMBGMROFS-WCQYABFASA-N 2 2 298.431 -0.116 20 0 CBADLP C[C@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)[NH2+][C@H]1CCN(C)C1=O ZINC001369277178 896184196 /nfs/dbraw/zinc/18/41/96/896184196.db2.gz FCYKEULQCGZOFU-PWSUYJOCSA-N 2 2 293.371 -0.381 20 0 CBADLP C[C@@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)[NH2+][C@H]1CCN(C)C1=O ZINC001369277175 896185860 /nfs/dbraw/zinc/18/58/60/896185860.db2.gz FCYKEULQCGZOFU-JQWIXIFHSA-N 2 2 293.371 -0.381 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)NC[C@@H](CO)[NH2+]CC1CC1 ZINC001369369664 896242967 /nfs/dbraw/zinc/24/29/67/896242967.db2.gz JUGUCOZHKZZSQS-LBPRGKRZSA-N 2 2 280.372 -0.171 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@H](CO)[NH2+]CC[C@H]1CCOC1 ZINC001369373123 896246583 /nfs/dbraw/zinc/24/65/83/896246583.db2.gz JRHUOEGCQLOXHS-QWHCGFSZSA-N 2 2 296.371 -0.624 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@@H](CO)[NH2+]CC[C@H]1CCOC1 ZINC001369373125 896247432 /nfs/dbraw/zinc/24/74/32/896247432.db2.gz JRHUOEGCQLOXHS-STQMWFEESA-N 2 2 296.371 -0.624 20 0 CBADLP CO[C@H](C)C[NH2+][C@H](CO)CNC(=O)Cc1c[nH+]cn1C ZINC001369380150 896249737 /nfs/dbraw/zinc/24/97/37/896249737.db2.gz KWGKCJJRSXLHER-MNOVXSKESA-N 2 2 284.360 -0.936 20 0 CBADLP CO[C@H](C)C[NH2+][C@@H](CO)CNC(=O)Cc1c[nH+]cn1C ZINC001369380149 896250044 /nfs/dbraw/zinc/25/00/44/896250044.db2.gz KWGKCJJRSXLHER-GHMZBOCLSA-N 2 2 284.360 -0.936 20 0 CBADLP C[C@@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)CCCn1cc[nH+]c1 ZINC001369405388 896258675 /nfs/dbraw/zinc/25/86/75/896258675.db2.gz OZHHRZHHKKEQJT-NEPJUHHUSA-N 2 2 293.371 -0.272 20 0 CBADLP CN(C[C@H](O)C[NH2+]C[C@H]1CCOC1)C(=O)Cc1c[nH+]c[nH]1 ZINC001369469642 896284800 /nfs/dbraw/zinc/28/48/00/896284800.db2.gz GRSAPKXLUMEFNC-DGCLKSJQSA-N 2 2 296.371 -0.602 20 0 CBADLP CO[C@@H](C)C[NH2+]C[C@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001369486444 896291911 /nfs/dbraw/zinc/29/19/11/896291911.db2.gz SYTUQHNQKGAKLL-QWRGUYRKSA-N 2 2 284.360 -0.604 20 0 CBADLP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CC(=O)N(C)C)C1)[NH+](C)C ZINC001370015687 896385694 /nfs/dbraw/zinc/38/56/94/896385694.db2.gz KYERIAUQMSALJY-RYUDHWBXSA-N 2 2 284.404 -0.395 20 0 CBADLP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C)C1)[NH+](C)C ZINC001370015687 896385712 /nfs/dbraw/zinc/38/57/12/896385712.db2.gz KYERIAUQMSALJY-RYUDHWBXSA-N 2 2 284.404 -0.395 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001370004795 896385979 /nfs/dbraw/zinc/38/59/79/896385979.db2.gz CZHVPBVZRSNXKB-VXGBXAGGSA-N 2 2 293.371 -0.272 20 0 CBADLP CC[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001370004795 896386001 /nfs/dbraw/zinc/38/60/01/896386001.db2.gz CZHVPBVZRSNXKB-VXGBXAGGSA-N 2 2 293.371 -0.272 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@@H](CNC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001370251504 896413450 /nfs/dbraw/zinc/41/34/50/896413450.db2.gz BVNGRGJDTFOGTN-KOLCDFICSA-N 2 2 293.371 -0.429 20 0 CBADLP C[C@H](CC(=O)N1CC[C@H](C[NH2+]CC(N)=O)C1)n1cc[nH+]c1 ZINC001371622012 896644243 /nfs/dbraw/zinc/64/42/43/896644243.db2.gz WSXADIYRCSCTIG-VXGBXAGGSA-N 2 2 293.371 -0.242 20 0 CBADLP CCCNC(=O)C[N@H+](C)CCNC(=O)Cn1c[nH+]cc1C ZINC001372042931 896714417 /nfs/dbraw/zinc/71/44/17/896714417.db2.gz FAXYKOHGHDZVSN-UHFFFAOYSA-N 2 2 295.387 -0.234 20 0 CBADLP CCCNC(=O)C[N@@H+](C)CCNC(=O)Cn1c[nH+]cc1C ZINC001372042931 896714429 /nfs/dbraw/zinc/71/44/29/896714429.db2.gz FAXYKOHGHDZVSN-UHFFFAOYSA-N 2 2 295.387 -0.234 20 0 CBADLP Cn1cc(C[N@@H+]2CCC[C@@H]2CNC(=O)CC[NH+](C)C)nn1 ZINC001372540730 896803985 /nfs/dbraw/zinc/80/39/85/896803985.db2.gz JEOIHORJPNIFGE-CYBMUJFWSA-N 2 2 294.403 -0.153 20 0 CBADLP Cn1cc(C[N@H+]2CCC[C@@H]2CNC(=O)CC[NH+](C)C)nn1 ZINC001372540730 896804002 /nfs/dbraw/zinc/80/40/02/896804002.db2.gz JEOIHORJPNIFGE-CYBMUJFWSA-N 2 2 294.403 -0.153 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001372562093 896810721 /nfs/dbraw/zinc/81/07/21/896810721.db2.gz BIVPDAUPCGIEGL-WDEREUQCSA-N 2 2 293.371 -0.583 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CCC[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001372562093 896810734 /nfs/dbraw/zinc/81/07/34/896810734.db2.gz BIVPDAUPCGIEGL-WDEREUQCSA-N 2 2 293.371 -0.583 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001372682549 896833987 /nfs/dbraw/zinc/83/39/87/896833987.db2.gz OLMYEUGUTONHOS-MNOVXSKESA-N 2 2 279.344 -0.805 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001372682549 896834002 /nfs/dbraw/zinc/83/40/02/896834002.db2.gz OLMYEUGUTONHOS-MNOVXSKESA-N 2 2 279.344 -0.805 20 0 CBADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001372962076 896917374 /nfs/dbraw/zinc/91/73/74/896917374.db2.gz YVOLKNSGMNSSPN-NWDGAFQWSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001372962076 896917382 /nfs/dbraw/zinc/91/73/82/896917382.db2.gz YVOLKNSGMNSSPN-NWDGAFQWSA-N 2 2 293.371 -0.402 20 0 CBADLP C[N@@H+](CC(N)=O)C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001373299157 896966906 /nfs/dbraw/zinc/96/69/06/896966906.db2.gz KYOJDEWOPFLTJX-JTQLQIEISA-N 2 2 279.344 -0.782 20 0 CBADLP C[N@H+](CC(N)=O)C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001373299157 896966912 /nfs/dbraw/zinc/96/69/12/896966912.db2.gz KYOJDEWOPFLTJX-JTQLQIEISA-N 2 2 279.344 -0.782 20 0 CBADLP CNC(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001373306221 896968821 /nfs/dbraw/zinc/96/88/21/896968821.db2.gz YCJGDYGTNUUPOR-NSHDSACASA-N 2 2 293.371 -0.522 20 0 CBADLP CNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001373306221 896968836 /nfs/dbraw/zinc/96/88/36/896968836.db2.gz YCJGDYGTNUUPOR-NSHDSACASA-N 2 2 293.371 -0.522 20 0 CBADLP CCC[N@H+](C)CC(=O)N[C@H]1CCC[NH+]([C@@H](C)C(N)=O)C1 ZINC001373406002 897000636 /nfs/dbraw/zinc/00/06/36/897000636.db2.gz WUMYZAKDZIKTDY-RYUDHWBXSA-N 2 2 284.404 -0.217 20 0 CBADLP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[NH+]([C@@H](C)C(N)=O)C1 ZINC001373406002 897000648 /nfs/dbraw/zinc/00/06/48/897000648.db2.gz WUMYZAKDZIKTDY-RYUDHWBXSA-N 2 2 284.404 -0.217 20 0 CBADLP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001373406002 897000660 /nfs/dbraw/zinc/00/06/60/897000660.db2.gz WUMYZAKDZIKTDY-RYUDHWBXSA-N 2 2 284.404 -0.217 20 0 CBADLP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001373406002 897000678 /nfs/dbraw/zinc/00/06/78/897000678.db2.gz WUMYZAKDZIKTDY-RYUDHWBXSA-N 2 2 284.404 -0.217 20 0 CBADLP CN(CCNC(=O)[C@H]1CCC[N@@H+]1C)C(=O)Cc1[nH]cc[nH+]1 ZINC001373605423 897072591 /nfs/dbraw/zinc/07/25/91/897072591.db2.gz RZVRBICVCBLFCT-LLVKDONJSA-N 2 2 293.371 -0.379 20 0 CBADLP CN(CCNC(=O)[C@H]1CCC[N@H+]1C)C(=O)Cc1[nH]cc[nH+]1 ZINC001373605423 897072611 /nfs/dbraw/zinc/07/26/11/897072611.db2.gz RZVRBICVCBLFCT-LLVKDONJSA-N 2 2 293.371 -0.379 20 0 CBADLP COC[C@H](O)C[N@@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001373695465 897098787 /nfs/dbraw/zinc/09/87/87/897098787.db2.gz KCPPAXGNMQRYGH-CHWSQXEVSA-N 2 2 296.371 -0.577 20 0 CBADLP COC[C@H](O)C[N@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001373695465 897098798 /nfs/dbraw/zinc/09/87/98/897098798.db2.gz KCPPAXGNMQRYGH-CHWSQXEVSA-N 2 2 296.371 -0.577 20 0 CBADLP COC[C@@H](O)C[N@@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001373695467 897101636 /nfs/dbraw/zinc/10/16/36/897101636.db2.gz KCPPAXGNMQRYGH-OLZOCXBDSA-N 2 2 296.371 -0.577 20 0 CBADLP COC[C@@H](O)C[N@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001373695467 897101655 /nfs/dbraw/zinc/10/16/55/897101655.db2.gz KCPPAXGNMQRYGH-OLZOCXBDSA-N 2 2 296.371 -0.577 20 0 CBADLP CC[C@@H](CNC(=O)CCc1[nH+]ccn1C)[NH2+]CC(=O)NC ZINC001373776227 897120425 /nfs/dbraw/zinc/12/04/25/897120425.db2.gz FDRRHHLOCCDVFR-NSHDSACASA-N 2 2 295.387 -0.417 20 0 CBADLP CC[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CC(=O)NC1CC1 ZINC001373802296 897126424 /nfs/dbraw/zinc/12/64/24/897126424.db2.gz STCKDPVJJISLAY-JTQLQIEISA-N 2 2 293.371 -0.285 20 0 CBADLP CC[C@@H]([NH2+][C@@H](CC)CNC(=O)Cc1[nH]cc[nH+]1)C(N)=O ZINC001373813943 897127245 /nfs/dbraw/zinc/12/72/45/897127245.db2.gz YNYRJMMCCITNPF-VHSXEESVSA-N 2 2 281.360 -0.300 20 0 CBADLP CC[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@@H](CC)C(N)=O ZINC001373813945 897127620 /nfs/dbraw/zinc/12/76/20/897127620.db2.gz YNYRJMMCCITNPF-ZJUUUORDSA-N 2 2 281.360 -0.300 20 0 CBADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)C[NH2+][C@H]1CCN(C)C1=O ZINC001374089099 897166987 /nfs/dbraw/zinc/16/69/87/897166987.db2.gz CMBZZVXLNPHNFA-MNOVXSKESA-N 2 2 293.371 -0.475 20 0 CBADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)C[NH2+][C@@H]1CCN(C)C1=O ZINC001374079092 897167628 /nfs/dbraw/zinc/16/76/28/897167628.db2.gz ODPZYTUWCBNCEN-CMPLNLGQSA-N 2 2 293.371 -0.475 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]C[C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001374112234 897171684 /nfs/dbraw/zinc/17/16/84/897171684.db2.gz AAZFHYPDUHRDOM-MNOVXSKESA-N 2 2 281.360 -0.641 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]C[C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001374112231 897172531 /nfs/dbraw/zinc/17/25/31/897172531.db2.gz AAZFHYPDUHRDOM-GHMZBOCLSA-N 2 2 281.360 -0.641 20 0 CBADLP C[C@@H](C[NH2+][C@@H]1CCCNC1=O)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001374303000 897205338 /nfs/dbraw/zinc/20/53/38/897205338.db2.gz NOCVYSRTAFERIM-WDEREUQCSA-N 2 2 293.371 -0.333 20 0 CBADLP CCNC(=O)C[NH2+][C@@H](CNC(=O)Cn1cc[nH+]c1)C(C)C ZINC001374454559 897227006 /nfs/dbraw/zinc/22/70/06/897227006.db2.gz UZMHZKPDLJKSOP-LBPRGKRZSA-N 2 2 295.387 -0.250 20 0 CBADLP CC(C)[C@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+][C@H](C)C(N)=O ZINC001374444728 897228024 /nfs/dbraw/zinc/22/80/24/897228024.db2.gz SXXCGGMZFNYIFI-PWSUYJOCSA-N 2 2 295.387 -0.433 20 0 CBADLP CN(CC[N@H+](C)Cc1cnnn1C)C(=O)[C@H]1CCC[NH+]1C ZINC001374519543 897248172 /nfs/dbraw/zinc/24/81/72/897248172.db2.gz GLYQQLMEHDIPID-CYBMUJFWSA-N 2 2 294.403 -0.201 20 0 CBADLP CN(CC[N@@H+](C)Cc1cnnn1C)C(=O)[C@H]1CCC[NH+]1C ZINC001374519543 897248188 /nfs/dbraw/zinc/24/81/88/897248188.db2.gz GLYQQLMEHDIPID-CYBMUJFWSA-N 2 2 294.403 -0.201 20 0 CBADLP CN(CC[NH+](C)Cc1cnnn1C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001374519543 897248207 /nfs/dbraw/zinc/24/82/07/897248207.db2.gz GLYQQLMEHDIPID-CYBMUJFWSA-N 2 2 294.403 -0.201 20 0 CBADLP CN(CC[NH+](C)Cc1cnnn1C)C(=O)[C@H]1CCC[N@H+]1C ZINC001374519543 897248226 /nfs/dbraw/zinc/24/82/26/897248226.db2.gz GLYQQLMEHDIPID-CYBMUJFWSA-N 2 2 294.403 -0.201 20 0 CBADLP CC[C@H](C(=O)N(C)CC[N@H+](C)CC(=O)NC)[NH+](C)C ZINC001374508555 897249050 /nfs/dbraw/zinc/24/90/50/897249050.db2.gz WIVYWDWBJAJAAA-LLVKDONJSA-N 2 2 272.393 -0.537 20 0 CBADLP CC[C@H](C(=O)N(C)CC[N@@H+](C)CC(=O)NC)[NH+](C)C ZINC001374508555 897249062 /nfs/dbraw/zinc/24/90/62/897249062.db2.gz WIVYWDWBJAJAAA-LLVKDONJSA-N 2 2 272.393 -0.537 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]CC[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001374701585 897350616 /nfs/dbraw/zinc/35/06/16/897350616.db2.gz WWJJLDBSKWMUMC-MNOVXSKESA-N 2 2 295.387 -0.039 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]CC[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001374701585 897350629 /nfs/dbraw/zinc/35/06/29/897350629.db2.gz WWJJLDBSKWMUMC-MNOVXSKESA-N 2 2 295.387 -0.039 20 0 CBADLP C[C@@H](CC[NH2+][C@@H]1CCCNC1=O)NC(=O)Cc1[nH]cc[nH+]1 ZINC001374708644 897355432 /nfs/dbraw/zinc/35/54/32/897355432.db2.gz VNHQITIMNZGYOV-WDEREUQCSA-N 2 2 293.371 -0.285 20 0 CBADLP Cc1ncoc1C[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001374744317 897365249 /nfs/dbraw/zinc/36/52/49/897365249.db2.gz JGYQZKBRDVZCCG-MFKMUULPSA-N 2 2 296.371 -0.092 20 0 CBADLP Cc1ncoc1C[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001374744317 897365270 /nfs/dbraw/zinc/36/52/70/897365270.db2.gz JGYQZKBRDVZCCG-MFKMUULPSA-N 2 2 296.371 -0.092 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001374919522 897429254 /nfs/dbraw/zinc/42/92/54/897429254.db2.gz RQPXMGAJOJKTED-WDEREUQCSA-N 2 2 295.387 -0.419 20 0 CBADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH+](C)CC(N)=O ZINC001375158300 897486999 /nfs/dbraw/zinc/48/69/99/897486999.db2.gz JOYDNIJZVFWAQW-VXGBXAGGSA-N 2 2 284.404 -0.217 20 0 CBADLP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH+](C)CC(N)=O ZINC001375158300 897487007 /nfs/dbraw/zinc/48/70/07/897487007.db2.gz JOYDNIJZVFWAQW-VXGBXAGGSA-N 2 2 284.404 -0.217 20 0 CBADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H](C)C[N@H+](C)CC(N)=O ZINC001375158300 897487015 /nfs/dbraw/zinc/48/70/15/897487015.db2.gz JOYDNIJZVFWAQW-VXGBXAGGSA-N 2 2 284.404 -0.217 20 0 CBADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H](C)C[N@@H+](C)CC(N)=O ZINC001375158300 897487024 /nfs/dbraw/zinc/48/70/24/897487024.db2.gz JOYDNIJZVFWAQW-VXGBXAGGSA-N 2 2 284.404 -0.217 20 0 CBADLP CC[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+]1CC(=O)N(C)C ZINC001375355201 897524845 /nfs/dbraw/zinc/52/48/45/897524845.db2.gz IAFRGHIBHHWEPW-LBPRGKRZSA-N 2 2 284.404 -0.393 20 0 CBADLP CC[N@H+](C)CCC(=O)NC[C@@H]1CC[NH+]1CC(=O)N(C)C ZINC001375355201 897524819 /nfs/dbraw/zinc/52/48/19/897524819.db2.gz IAFRGHIBHHWEPW-LBPRGKRZSA-N 2 2 284.404 -0.393 20 0 CBADLP CC[N@@H+](C)CCC(=O)NC[C@@H]1CC[NH+]1CC(=O)N(C)C ZINC001375355201 897524834 /nfs/dbraw/zinc/52/48/34/897524834.db2.gz IAFRGHIBHHWEPW-LBPRGKRZSA-N 2 2 284.404 -0.393 20 0 CBADLP CC[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+]1CC(=O)N(C)C ZINC001375355201 897524858 /nfs/dbraw/zinc/52/48/58/897524858.db2.gz IAFRGHIBHHWEPW-LBPRGKRZSA-N 2 2 284.404 -0.393 20 0 CBADLP CC[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1CC(=O)N(C)CC)[NH+](C)C ZINC001375361927 897524979 /nfs/dbraw/zinc/52/49/79/897524979.db2.gz IBAVHPSQJSOYRE-STQMWFEESA-N 2 2 298.431 -0.005 20 0 CBADLP CC[C@@H](C(=O)NC[C@@H]1CC[N@H+]1CC(=O)N(C)CC)[NH+](C)C ZINC001375361927 897524984 /nfs/dbraw/zinc/52/49/84/897524984.db2.gz IBAVHPSQJSOYRE-STQMWFEESA-N 2 2 298.431 -0.005 20 0 CBADLP CCC[N@H+](C)CC(=O)NC[C@H]1CC[NH+]1[C@@H](C)C(=O)NC ZINC001375365061 897526050 /nfs/dbraw/zinc/52/60/50/897526050.db2.gz GMBVEZSYFFNMPC-NWDGAFQWSA-N 2 2 284.404 -0.347 20 0 CBADLP CCC[N@@H+](C)CC(=O)NC[C@H]1CC[NH+]1[C@@H](C)C(=O)NC ZINC001375365061 897526063 /nfs/dbraw/zinc/52/60/63/897526063.db2.gz GMBVEZSYFFNMPC-NWDGAFQWSA-N 2 2 284.404 -0.347 20 0 CBADLP CCC[NH+](C)CC(=O)NC[C@H]1CC[N@@H+]1[C@@H](C)C(=O)NC ZINC001375365061 897526088 /nfs/dbraw/zinc/52/60/88/897526088.db2.gz GMBVEZSYFFNMPC-NWDGAFQWSA-N 2 2 284.404 -0.347 20 0 CBADLP CCC[NH+](C)CC(=O)NC[C@H]1CC[N@H+]1[C@@H](C)C(=O)NC ZINC001375365061 897526095 /nfs/dbraw/zinc/52/60/95/897526095.db2.gz GMBVEZSYFFNMPC-NWDGAFQWSA-N 2 2 284.404 -0.347 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1CC[N@@H+]1CCO ZINC001375372574 897530372 /nfs/dbraw/zinc/53/03/72/897530372.db2.gz FEXWFBRKSDKJFD-STQMWFEESA-N 2 2 285.388 -0.863 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1CC[N@H+]1CCO ZINC001375372574 897530378 /nfs/dbraw/zinc/53/03/78/897530378.db2.gz FEXWFBRKSDKJFD-STQMWFEESA-N 2 2 285.388 -0.863 20 0 CBADLP C[C@@H]([NH2+]C1(CNC(=O)Cc2c[nH+]cn2C)CC1)C(N)=O ZINC001375521701 897558944 /nfs/dbraw/zinc/55/89/44/897558944.db2.gz NMVAUSLERNAFTO-SECBINFHSA-N 2 2 279.344 -0.925 20 0 CBADLP COC[C@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001375550625 897562978 /nfs/dbraw/zinc/56/29/78/897562978.db2.gz RVGAQXDHLRFCJA-NQBHXWOUSA-N 2 2 296.371 -0.556 20 0 CBADLP CCC[N@H+](C)CC(=O)N(C)C1C[NH+](C[C@H](O)COC)C1 ZINC001375721152 897595507 /nfs/dbraw/zinc/59/55/07/897595507.db2.gz ZJWATMRGXDRZHR-ZDUSSCGKSA-N 2 2 287.404 -0.522 20 0 CBADLP CCC[N@@H+](C)CC(=O)N(C)C1C[NH+](C[C@H](O)COC)C1 ZINC001375721152 897595519 /nfs/dbraw/zinc/59/55/19/897595519.db2.gz ZJWATMRGXDRZHR-ZDUSSCGKSA-N 2 2 287.404 -0.522 20 0 CBADLP CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001376069126 897644689 /nfs/dbraw/zinc/64/46/89/897644689.db2.gz HQCRDNSAPJXIQP-LBPRGKRZSA-N 2 2 284.404 -0.345 20 0 CBADLP CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001376069126 897644695 /nfs/dbraw/zinc/64/46/95/897644695.db2.gz HQCRDNSAPJXIQP-LBPRGKRZSA-N 2 2 284.404 -0.345 20 0 CBADLP CC[C@@H](C(=O)N[C@@H]1CCC[N@H+](CC(=O)N(C)C)C1)[NH+](C)C ZINC001376063120 897646374 /nfs/dbraw/zinc/64/63/74/897646374.db2.gz FGABBHLKLKEDJV-OLZOCXBDSA-N 2 2 298.431 -0.005 20 0 CBADLP CC[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CC(=O)N(C)C)C1)[NH+](C)C ZINC001376063120 897646386 /nfs/dbraw/zinc/64/63/86/897646386.db2.gz FGABBHLKLKEDJV-OLZOCXBDSA-N 2 2 298.431 -0.005 20 0 CBADLP CC(C)NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001376120791 897659710 /nfs/dbraw/zinc/65/97/10/897659710.db2.gz UFQHDUVXHWNAOV-STQMWFEESA-N 2 2 296.415 -0.204 20 0 CBADLP CC(C)NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001376120791 897659716 /nfs/dbraw/zinc/65/97/16/897659716.db2.gz UFQHDUVXHWNAOV-STQMWFEESA-N 2 2 296.415 -0.204 20 0 CBADLP CC(C)NC(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001376120791 897659724 /nfs/dbraw/zinc/65/97/24/897659724.db2.gz UFQHDUVXHWNAOV-STQMWFEESA-N 2 2 296.415 -0.204 20 0 CBADLP CC(C)NC(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001376120791 897659732 /nfs/dbraw/zinc/65/97/32/897659732.db2.gz UFQHDUVXHWNAOV-STQMWFEESA-N 2 2 296.415 -0.204 20 0 CBADLP CC[C@H]([NH2+][C@@H](CNC(=O)Cc1[nH]cc[nH+]1)C1CC1)C(N)=O ZINC001376249228 897698663 /nfs/dbraw/zinc/69/86/63/897698663.db2.gz JZZMKZKRZIWFEA-QWRGUYRKSA-N 2 2 293.371 -0.300 20 0 CBADLP CC(C)NC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001376341540 897717485 /nfs/dbraw/zinc/71/74/85/897717485.db2.gz CBDYCXQDAZKTMF-NSHDSACASA-N 2 2 293.371 -0.333 20 0 CBADLP CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)C1)C(N)=O ZINC001376395795 897722077 /nfs/dbraw/zinc/72/20/77/897722077.db2.gz SFICCBYYYDNVAF-IJLUTSLNSA-N 2 2 293.371 -0.226 20 0 CBADLP O=C(C[NH2+][C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1)NC1CC1 ZINC001376406825 897727072 /nfs/dbraw/zinc/72/70/72/897727072.db2.gz MIDJPVFALKBXBS-XYPYZODXSA-N 2 2 291.355 -0.532 20 0 CBADLP CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001376406331 897727562 /nfs/dbraw/zinc/72/75/62/897727562.db2.gz ZBYLXQOCKBHQOU-MGCOHNPYSA-N 2 2 279.344 -0.675 20 0 CBADLP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1)C(=O)N(C)C ZINC001376420349 897729809 /nfs/dbraw/zinc/72/98/09/897729809.db2.gz CRGSARIERVUEBY-SRVKXCTJSA-N 2 2 293.371 -0.403 20 0 CBADLP CC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001376458078 897743323 /nfs/dbraw/zinc/74/33/23/897743323.db2.gz UGRHCFMBVUXYJK-GXTWGEPZSA-N 2 2 285.388 -0.720 20 0 CBADLP CC[N@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001376458078 897743333 /nfs/dbraw/zinc/74/33/33/897743333.db2.gz UGRHCFMBVUXYJK-GXTWGEPZSA-N 2 2 285.388 -0.720 20 0 CBADLP CC[NH+]1CCC[C@@](CO)(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001376458078 897743349 /nfs/dbraw/zinc/74/33/49/897743349.db2.gz UGRHCFMBVUXYJK-GXTWGEPZSA-N 2 2 285.388 -0.720 20 0 CBADLP CC[NH+]1CCC[C@@](CO)(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001376458078 897743364 /nfs/dbraw/zinc/74/33/64/897743364.db2.gz UGRHCFMBVUXYJK-GXTWGEPZSA-N 2 2 285.388 -0.720 20 0 CBADLP CCN(C)C(=O)C[NH2+][C@@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001376739334 897827624 /nfs/dbraw/zinc/82/76/24/897827624.db2.gz JYVHXSPRZIWXGJ-NSHDSACASA-N 2 2 295.387 -0.085 20 0 CBADLP CCN(C)C(=O)C[NH2+][C@@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001376739334 897827633 /nfs/dbraw/zinc/82/76/33/897827633.db2.gz JYVHXSPRZIWXGJ-NSHDSACASA-N 2 2 295.387 -0.085 20 0 CBADLP CCN(C)C(=O)C[NH2+][C@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001376739329 897828027 /nfs/dbraw/zinc/82/80/27/897828027.db2.gz JYVHXSPRZIWXGJ-LLVKDONJSA-N 2 2 295.387 -0.085 20 0 CBADLP CCN(C)C(=O)C[NH2+][C@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001376739329 897828042 /nfs/dbraw/zinc/82/80/42/897828042.db2.gz JYVHXSPRZIWXGJ-LLVKDONJSA-N 2 2 295.387 -0.085 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]Cc1cn(C)nn1 ZINC001376768792 897840191 /nfs/dbraw/zinc/84/01/91/897840191.db2.gz XXBZFTPSRJHJKG-YPMHNXCESA-N 2 2 294.403 -0.106 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]Cc1cn(C)nn1 ZINC001376768792 897840197 /nfs/dbraw/zinc/84/01/97/897840197.db2.gz XXBZFTPSRJHJKG-YPMHNXCESA-N 2 2 294.403 -0.106 20 0 CBADLP C[NH+](C)CCC(=O)N[C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001454346730 914197712 /nfs/dbraw/zinc/19/77/12/914197712.db2.gz PLVPTULAAKGPDS-XYPYZODXSA-N 2 2 293.371 -0.333 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)[NH2+]CC(=O)N1CCC1 ZINC001376853680 897871159 /nfs/dbraw/zinc/87/11/59/897871159.db2.gz BFBMSGIQAZICOB-JTQLQIEISA-N 2 2 293.371 -0.413 20 0 CBADLP C[C@@H](CNC(=O)CCc1c[nH+]cn1C)[NH2+][C@@H](C)C(N)=O ZINC001376872839 897876384 /nfs/dbraw/zinc/87/63/84/897876384.db2.gz VATSPAGWXPYRGX-UWVGGRQHSA-N 2 2 281.360 -0.679 20 0 CBADLP C[C@@H](CCNC(=O)[C@H]1CCc2c[nH+]cn2C1)[NH2+]CC(N)=O ZINC001377047680 897918506 /nfs/dbraw/zinc/91/85/06/897918506.db2.gz KTGNPKKRDYIGFD-QWRGUYRKSA-N 2 2 293.371 -0.585 20 0 CBADLP C[C@@H](CCNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@@H]1CCNC1=O ZINC001377079032 897924292 /nfs/dbraw/zinc/92/42/92/897924292.db2.gz FFZUJPISUVNRAP-VHSXEESVSA-N 2 2 279.344 -0.675 20 0 CBADLP CC[N@H+](C)CCC(=O)N[C@H]1COC2(C[NH+](CCCO)C2)C1 ZINC001377071809 897926086 /nfs/dbraw/zinc/92/60/86/897926086.db2.gz CMABWVRMJOKJDC-CYBMUJFWSA-N 2 2 299.415 -0.330 20 0 CBADLP CC[N@@H+](C)CCC(=O)N[C@H]1COC2(C[NH+](CCCO)C2)C1 ZINC001377071809 897926093 /nfs/dbraw/zinc/92/60/93/897926093.db2.gz CMABWVRMJOKJDC-CYBMUJFWSA-N 2 2 299.415 -0.330 20 0 CBADLP C[C@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+]CC(=O)N1CCC1 ZINC001377104135 897933425 /nfs/dbraw/zinc/93/34/25/897933425.db2.gz KIKMPFFCIZCDFH-GFCCVEGCSA-N 2 2 293.371 -0.400 20 0 CBADLP C[C@@H]1CC[N@H+](CC(=O)NCC[NH+](C)CC(=O)N2CCC2)C1 ZINC001377222095 897969579 /nfs/dbraw/zinc/96/95/79/897969579.db2.gz LISBIWXYBNBKSB-CYBMUJFWSA-N 2 2 296.415 -0.392 20 0 CBADLP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH+](C)CC(=O)N2CCC2)C1 ZINC001377222095 897969584 /nfs/dbraw/zinc/96/95/84/897969584.db2.gz LISBIWXYBNBKSB-CYBMUJFWSA-N 2 2 296.415 -0.392 20 0 CBADLP C[C@@H]1CC[NH+](CC(=O)NCC[N@H+](C)CC(=O)N2CCC2)C1 ZINC001377222095 897969591 /nfs/dbraw/zinc/96/95/91/897969591.db2.gz LISBIWXYBNBKSB-CYBMUJFWSA-N 2 2 296.415 -0.392 20 0 CBADLP C[C@@H]1CC[NH+](CC(=O)NCC[N@@H+](C)CC(=O)N2CCC2)C1 ZINC001377222095 897969599 /nfs/dbraw/zinc/96/95/99/897969599.db2.gz LISBIWXYBNBKSB-CYBMUJFWSA-N 2 2 296.415 -0.392 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NCC[NH+](C)CC(=O)N1CCC1 ZINC001377270356 897994885 /nfs/dbraw/zinc/99/48/85/897994885.db2.gz CNZAUKFYXZZFPH-UHFFFAOYSA-N 2 2 284.404 -0.393 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NCC[NH+](C)CC(=O)N1CCC1 ZINC001377270356 897994900 /nfs/dbraw/zinc/99/49/00/897994900.db2.gz CNZAUKFYXZZFPH-UHFFFAOYSA-N 2 2 284.404 -0.393 20 0 CBADLP CC(C)[NH+](C)CC(=O)NCC[N@H+](C)CC(=O)N1CCC1 ZINC001377270356 897994913 /nfs/dbraw/zinc/99/49/13/897994913.db2.gz CNZAUKFYXZZFPH-UHFFFAOYSA-N 2 2 284.404 -0.393 20 0 CBADLP CC(C)[NH+](C)CC(=O)NCC[N@@H+](C)CC(=O)N1CCC1 ZINC001377270356 897994924 /nfs/dbraw/zinc/99/49/24/897994924.db2.gz CNZAUKFYXZZFPH-UHFFFAOYSA-N 2 2 284.404 -0.393 20 0 CBADLP CNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001377398647 898034324 /nfs/dbraw/zinc/03/43/24/898034324.db2.gz OVGXAHKAGVHGGS-LBPRGKRZSA-N 2 2 293.371 -0.400 20 0 CBADLP CNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001377398647 898034340 /nfs/dbraw/zinc/03/43/40/898034340.db2.gz OVGXAHKAGVHGGS-LBPRGKRZSA-N 2 2 293.371 -0.400 20 0 CBADLP O=C(C[NH+]1CCCC1)NC[C@@H]1CCC[N@@H+]1[C@H]1CCNC1=O ZINC001377429490 898044336 /nfs/dbraw/zinc/04/43/36/898044336.db2.gz UQWHGGMQYHFJAX-STQMWFEESA-N 2 2 294.399 -0.449 20 0 CBADLP O=C(C[NH+]1CCCC1)NC[C@@H]1CCC[N@H+]1[C@H]1CCNC1=O ZINC001377429490 898044348 /nfs/dbraw/zinc/04/43/48/898044348.db2.gz UQWHGGMQYHFJAX-STQMWFEESA-N 2 2 294.399 -0.449 20 0 CBADLP C[C@@H](O)C[N@H+](CCNC(=O)Cc1c[nH+]cn1C)C1CC1 ZINC001377556934 898086574 /nfs/dbraw/zinc/08/65/74/898086574.db2.gz FFEFPTFSYXVGNN-LLVKDONJSA-N 2 2 280.372 -0.076 20 0 CBADLP C[C@@H](O)C[N@@H+](CCNC(=O)Cc1c[nH+]cn1C)C1CC1 ZINC001377556934 898086594 /nfs/dbraw/zinc/08/65/94/898086594.db2.gz FFEFPTFSYXVGNN-LLVKDONJSA-N 2 2 280.372 -0.076 20 0 CBADLP CN(CC[NH2+][C@@H]1CCCNC1=O)C(=O)Cc1c[nH+]c[nH]1 ZINC001377598441 898102485 /nfs/dbraw/zinc/10/24/85/898102485.db2.gz ZRBGWGORWLJLQU-LLVKDONJSA-N 2 2 279.344 -0.721 20 0 CBADLP CCNC(=O)C[NH2+]CC1CC(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001377726360 898120204 /nfs/dbraw/zinc/12/02/04/898120204.db2.gz JMVGLJPRSRFHEY-UHFFFAOYSA-N 2 2 293.371 -0.427 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](CC(N)=O)C1 ZINC001377832483 898143624 /nfs/dbraw/zinc/14/36/24/898143624.db2.gz IGBPNSYTLNUCEB-LLVKDONJSA-N 2 2 270.377 -0.608 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCC[NH+](CC(N)=O)C1 ZINC001377832483 898143631 /nfs/dbraw/zinc/14/36/31/898143631.db2.gz IGBPNSYTLNUCEB-LLVKDONJSA-N 2 2 270.377 -0.608 20 0 CBADLP CC(C)[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001377832483 898143640 /nfs/dbraw/zinc/14/36/40/898143640.db2.gz IGBPNSYTLNUCEB-LLVKDONJSA-N 2 2 270.377 -0.608 20 0 CBADLP CC(C)[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001377832483 898143650 /nfs/dbraw/zinc/14/36/50/898143650.db2.gz IGBPNSYTLNUCEB-LLVKDONJSA-N 2 2 270.377 -0.608 20 0 CBADLP CCCNC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001377901277 898164852 /nfs/dbraw/zinc/16/48/52/898164852.db2.gz JAHLSLVLWHAAJX-VXGBXAGGSA-N 2 2 295.387 -0.108 20 0 CBADLP C[C@@H]([NH2+]CC(=O)N1CCC1)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001377901262 898165255 /nfs/dbraw/zinc/16/52/55/898165255.db2.gz IYKXNJHRXUNLAP-NEPJUHHUSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@@H]([NH2+]Cc1nncn1C)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001377912557 898167867 /nfs/dbraw/zinc/16/78/67/898167867.db2.gz WSQCNTPUASJORC-MNOVXSKESA-N 2 2 291.359 -0.305 20 0 CBADLP C[N@@H+]1CCC[C@H]1CCC(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001377978949 898184941 /nfs/dbraw/zinc/18/49/41/898184941.db2.gz YSKJJZWXBRJHBE-LBPRGKRZSA-N 2 2 282.388 -0.606 20 0 CBADLP C[N@H+]1CCC[C@H]1CCC(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001377978949 898184950 /nfs/dbraw/zinc/18/49/50/898184950.db2.gz YSKJJZWXBRJHBE-LBPRGKRZSA-N 2 2 282.388 -0.606 20 0 CBADLP C[N@H+](CC(=O)NCC1C[NH+]([C@@H]2CCNC2=O)C1)C1CCC1 ZINC001377978322 898186068 /nfs/dbraw/zinc/18/60/68/898186068.db2.gz ZYOFEFRGMJOPMY-CYBMUJFWSA-N 2 2 294.399 -0.593 20 0 CBADLP C[N@@H+](CC(=O)NCC1C[NH+]([C@@H]2CCNC2=O)C1)C1CCC1 ZINC001377978322 898186071 /nfs/dbraw/zinc/18/60/71/898186071.db2.gz ZYOFEFRGMJOPMY-CYBMUJFWSA-N 2 2 294.399 -0.593 20 0 CBADLP CN(CC(C)(C)C[NH2+]CC(N)=O)C(=O)Cn1cc[nH+]c1 ZINC001377979715 898188126 /nfs/dbraw/zinc/18/81/26/898188126.db2.gz PCWULQRHQVBALY-UHFFFAOYSA-N 2 2 281.360 -0.557 20 0 CBADLP CCC[N@H+](C)CC(=O)NCC1C[NH+](CC(=O)NCC)C1 ZINC001378015265 898195689 /nfs/dbraw/zinc/19/56/89/898195689.db2.gz NMHIUUDEQPRXGH-UHFFFAOYSA-N 2 2 284.404 -0.488 20 0 CBADLP CCC[N@@H+](C)CC(=O)NCC1C[NH+](CC(=O)NCC)C1 ZINC001378015265 898195690 /nfs/dbraw/zinc/19/56/90/898195690.db2.gz NMHIUUDEQPRXGH-UHFFFAOYSA-N 2 2 284.404 -0.488 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001378014209 898198444 /nfs/dbraw/zinc/19/84/44/898198444.db2.gz DUTDBJJTHGYCLN-QWRGUYRKSA-N 2 2 282.388 -0.750 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001378014209 898198451 /nfs/dbraw/zinc/19/84/51/898198451.db2.gz DUTDBJJTHGYCLN-QWRGUYRKSA-N 2 2 282.388 -0.750 20 0 CBADLP COC[C@@H](O)C[N@H+](C)[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001378167248 898258331 /nfs/dbraw/zinc/25/83/31/898258331.db2.gz XISQZRTZTBDRJE-MNOVXSKESA-N 2 2 284.360 -0.604 20 0 CBADLP COC[C@@H](O)C[N@@H+](C)[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001378167248 898258346 /nfs/dbraw/zinc/25/83/46/898258346.db2.gz XISQZRTZTBDRJE-MNOVXSKESA-N 2 2 284.360 -0.604 20 0 CBADLP COC[C@@H](O)C[N@H+](C)[C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001378167249 898259408 /nfs/dbraw/zinc/25/94/08/898259408.db2.gz XISQZRTZTBDRJE-QWRGUYRKSA-N 2 2 284.360 -0.604 20 0 CBADLP COC[C@@H](O)C[N@@H+](C)[C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001378167249 898259420 /nfs/dbraw/zinc/25/94/20/898259420.db2.gz XISQZRTZTBDRJE-QWRGUYRKSA-N 2 2 284.360 -0.604 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+](C)[C@@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001378190739 898269713 /nfs/dbraw/zinc/26/97/13/898269713.db2.gz QILJWFPBGFBUFG-WDEREUQCSA-N 2 2 295.387 -0.466 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001378190739 898269724 /nfs/dbraw/zinc/26/97/24/898269724.db2.gz QILJWFPBGFBUFG-WDEREUQCSA-N 2 2 295.387 -0.466 20 0 CBADLP CNC(=O)[C@H](C)[N@H+](C)[C@@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001378190735 898271953 /nfs/dbraw/zinc/27/19/53/898271953.db2.gz QILJWFPBGFBUFG-QWRGUYRKSA-N 2 2 295.387 -0.466 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001378190735 898271968 /nfs/dbraw/zinc/27/19/68/898271968.db2.gz QILJWFPBGFBUFG-QWRGUYRKSA-N 2 2 295.387 -0.466 20 0 CBADLP C[C@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)Cc1cnnn1C ZINC001378219805 898284641 /nfs/dbraw/zinc/28/46/41/898284641.db2.gz KIVZEKWNLQIWMC-GFCCVEGCSA-N 2 2 294.403 -0.153 20 0 CBADLP C[C@H](CNC(=O)C[NH+]1CCCC1)[N@@H+](C)Cc1cnnn1C ZINC001378219805 898284658 /nfs/dbraw/zinc/28/46/58/898284658.db2.gz KIVZEKWNLQIWMC-GFCCVEGCSA-N 2 2 294.403 -0.153 20 0 CBADLP COC[C@H](C)[NH+]1CC(CCO)(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001378274588 898300938 /nfs/dbraw/zinc/30/09/38/898300938.db2.gz LBJOVDCMGIIBJV-QWHCGFSZSA-N 2 2 299.415 -0.332 20 0 CBADLP COC[C@H](C)[NH+]1CC(CCO)(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001378274588 898300952 /nfs/dbraw/zinc/30/09/52/898300952.db2.gz LBJOVDCMGIIBJV-QWHCGFSZSA-N 2 2 299.415 -0.332 20 0 CBADLP CC[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@H](C)C(=O)NC ZINC001378310425 898313697 /nfs/dbraw/zinc/31/36/97/898313697.db2.gz KTOLZUSQIFJQIC-ZJUUUORDSA-N 2 2 281.360 -0.429 20 0 CBADLP CC[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+][C@H](C)C(=O)NC ZINC001378342850 898322116 /nfs/dbraw/zinc/32/21/16/898322116.db2.gz MJTQZEBYAMLUSG-GHMZBOCLSA-N 2 2 281.360 -0.498 20 0 CBADLP C[C@](C[NH2+]CC(N)=O)(NC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001378404922 898327113 /nfs/dbraw/zinc/32/71/13/898327113.db2.gz YCLVVGHQCSEIBA-CYBMUJFWSA-N 2 2 279.344 -0.688 20 0 CBADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)C[NH2+]Cc1nncn1C ZINC001378610721 898366424 /nfs/dbraw/zinc/36/64/24/898366424.db2.gz HRTGVXAHBZJPSR-JTQLQIEISA-N 2 2 291.359 -0.377 20 0 CBADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C[NH2+][C@@H]1CCCNC1=O ZINC001378614493 898370474 /nfs/dbraw/zinc/37/04/74/898370474.db2.gz PVXRKEJSZGVTQU-ZYHUDNBSSA-N 2 2 293.371 -0.427 20 0 CBADLP NC(=O)C[NH2+]C1(CNC(=O)Cc2[nH]cc[nH+]2)CCCC1 ZINC001378710603 898393067 /nfs/dbraw/zinc/39/30/67/898393067.db2.gz SZTPYUSJRYBKOB-UHFFFAOYSA-N 2 2 279.344 -0.544 20 0 CBADLP C[C@@H]([NH2+]C1(CNC(=O)Cn2cc[nH+]c2)CCCC1)C(N)=O ZINC001378713411 898393390 /nfs/dbraw/zinc/39/33/90/898393390.db2.gz BXTHAPMSRDKYSH-LLVKDONJSA-N 2 2 293.371 -0.225 20 0 CBADLP C[C@@H](CNC(=O)CCC[NH+](C)C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001454722706 914248852 /nfs/dbraw/zinc/24/88/52/914248852.db2.gz RAIFGQKMOLYCRY-NSHDSACASA-N 2 2 295.387 -0.085 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CCO[C@H]([C@@H](C)[NH2+]CCO)C1 ZINC001378772730 898410500 /nfs/dbraw/zinc/41/05/00/898410500.db2.gz ZCDZRVCUHJAKBE-YPMHNXCESA-N 2 2 296.371 -0.542 20 0 CBADLP CCN(C)C(=O)C[NH2+]C[C@H](C)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001378817066 898416918 /nfs/dbraw/zinc/41/69/18/898416918.db2.gz FDSYDBPXYUJMCO-NSHDSACASA-N 2 2 295.387 -0.133 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@@H](C)C[NH2+][C@@H]1CCNC1=O ZINC001378853400 898422586 /nfs/dbraw/zinc/42/25/86/898422586.db2.gz ZLMLEBQCPJLMPB-GXSJLCMTSA-N 2 2 293.371 -0.414 20 0 CBADLP COC[C@@H](O)C[NH2+]C[C@@H](C)N(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001378852702 898423099 /nfs/dbraw/zinc/42/30/99/898423099.db2.gz XFPAJYDHUCBOMH-PWSUYJOCSA-N 2 2 298.387 -0.296 20 0 CBADLP CC(C)C[C@@H](C[NH2+][C@H](C)C(N)=O)NC(=O)Cc1[nH]cc[nH+]1 ZINC001378877327 898426305 /nfs/dbraw/zinc/42/63/05/898426305.db2.gz HHSXXMRVSGMQHT-MNOVXSKESA-N 2 2 295.387 -0.054 20 0 CBADLP CC(C)[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]CC(N)=O ZINC001378956559 898436389 /nfs/dbraw/zinc/43/63/89/898436389.db2.gz GCENTHORIOQYKN-GMTAPVOTSA-N 2 2 293.371 -0.271 20 0 CBADLP CC(C)[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[NH2+]CC(N)=O ZINC001378956559 898436399 /nfs/dbraw/zinc/43/63/99/898436399.db2.gz GCENTHORIOQYKN-GMTAPVOTSA-N 2 2 293.371 -0.271 20 0 CBADLP CCCNC(=O)C[N@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001379086589 898463169 /nfs/dbraw/zinc/46/31/69/898463169.db2.gz XWBRHLSJIUFQJU-CYBMUJFWSA-N 2 2 298.431 -0.003 20 0 CBADLP CCCNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001379086589 898463174 /nfs/dbraw/zinc/46/31/74/898463174.db2.gz XWBRHLSJIUFQJU-CYBMUJFWSA-N 2 2 298.431 -0.003 20 0 CBADLP CCCNC(=O)C[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001379086589 898463177 /nfs/dbraw/zinc/46/31/77/898463177.db2.gz XWBRHLSJIUFQJU-CYBMUJFWSA-N 2 2 298.431 -0.003 20 0 CBADLP CCCNC(=O)C[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001379086589 898463182 /nfs/dbraw/zinc/46/31/82/898463182.db2.gz XWBRHLSJIUFQJU-CYBMUJFWSA-N 2 2 298.431 -0.003 20 0 CBADLP CC(C)[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001379203333 898505984 /nfs/dbraw/zinc/50/59/84/898505984.db2.gz AKTKPPKGHVACDO-NEPJUHHUSA-N 2 2 280.372 -0.079 20 0 CBADLP CC[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1nnc(C)[nH]1)[NH+](C)C ZINC001379216923 898509694 /nfs/dbraw/zinc/50/96/94/898509694.db2.gz ITVFBLXFWYYMCK-GHMZBOCLSA-N 2 2 298.391 -0.980 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H](O)C[NH2+]CC1CCOCC1 ZINC001379256804 898525182 /nfs/dbraw/zinc/52/51/82/898525182.db2.gz JLETVJFDAMMUMV-GFCCVEGCSA-N 2 2 296.371 -0.555 20 0 CBADLP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2csnn2)C1 ZINC001379283167 898535344 /nfs/dbraw/zinc/53/53/44/898535344.db2.gz GRECUZDBUZTSOW-KOLCDFICSA-N 2 2 299.400 -0.944 20 0 CBADLP C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2csnn2)C1 ZINC001379283167 898535355 /nfs/dbraw/zinc/53/53/55/898535355.db2.gz GRECUZDBUZTSOW-KOLCDFICSA-N 2 2 299.400 -0.944 20 0 CBADLP C[N@@H+]1CC[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2csnn2)C1 ZINC001379283180 898536142 /nfs/dbraw/zinc/53/61/42/898536142.db2.gz GRECUZDBUZTSOW-MWLCHTKSSA-N 2 2 299.400 -0.944 20 0 CBADLP C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2csnn2)C1 ZINC001379283180 898536155 /nfs/dbraw/zinc/53/61/55/898536155.db2.gz GRECUZDBUZTSOW-MWLCHTKSSA-N 2 2 299.400 -0.944 20 0 CBADLP C[N@@H+]1CC[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2csnn2)C1 ZINC001379283190 898537374 /nfs/dbraw/zinc/53/73/74/898537374.db2.gz GRECUZDBUZTSOW-ONGXEEELSA-N 2 2 299.400 -0.944 20 0 CBADLP C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2csnn2)C1 ZINC001379283190 898537386 /nfs/dbraw/zinc/53/73/86/898537386.db2.gz GRECUZDBUZTSOW-ONGXEEELSA-N 2 2 299.400 -0.944 20 0 CBADLP CCN(CC[NH2+][C@H]1CCCNC1=O)C(=O)Cn1cc[nH+]c1 ZINC001379318940 898548770 /nfs/dbraw/zinc/54/87/70/898548770.db2.gz GYUMJAWMXXIKKU-LBPRGKRZSA-N 2 2 293.371 -0.400 20 0 CBADLP Cc1cc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2C[N@H+](C)CCO2)on1 ZINC001379344996 898562596 /nfs/dbraw/zinc/56/25/96/898562596.db2.gz MDQDJNNCGPBHRZ-DGCLKSJQSA-N 2 2 296.371 -0.092 20 0 CBADLP Cc1cc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2C[N@@H+](C)CCO2)on1 ZINC001379344996 898562604 /nfs/dbraw/zinc/56/26/04/898562604.db2.gz MDQDJNNCGPBHRZ-DGCLKSJQSA-N 2 2 296.371 -0.092 20 0 CBADLP CC(C)[NH2+][C@@H](CO)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001379437856 898613167 /nfs/dbraw/zinc/61/31/67/898613167.db2.gz QWIOBKOEQPRZPK-NWDGAFQWSA-N 2 2 280.372 -0.079 20 0 CBADLP C[C@H](C[NH2+][C@H]1CCNC1=O)NC(=O)CCc1c[nH+]cn1C ZINC001379456800 898622345 /nfs/dbraw/zinc/62/23/45/898622345.db2.gz XHNOBJKIUICANX-PWSUYJOCSA-N 2 2 293.371 -0.665 20 0 CBADLP Cc1conc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001379530848 898657491 /nfs/dbraw/zinc/65/74/91/898657491.db2.gz VCBIGLRQYAZTSN-VXGBXAGGSA-N 2 2 296.371 -0.499 20 0 CBADLP Cc1conc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001379530848 898657498 /nfs/dbraw/zinc/65/74/98/898657498.db2.gz VCBIGLRQYAZTSN-VXGBXAGGSA-N 2 2 296.371 -0.499 20 0 CBADLP CC1CC(C[NH2+][C@@H](CO)CNC(=O)Cn2cc[nH+]c2)C1 ZINC001379537164 898662081 /nfs/dbraw/zinc/66/20/81/898662081.db2.gz JZMHLQOPEANLEM-WXRRBKDZSA-N 2 2 280.372 -0.004 20 0 CBADLP C[C@@H](C[NH2+]Cc1cnn(C)c1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001379564328 898668749 /nfs/dbraw/zinc/66/87/49/898668749.db2.gz NLKOFDSRAUZEIE-JTQLQIEISA-N 2 2 276.344 -0.020 20 0 CBADLP CCCNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001379562793 898669244 /nfs/dbraw/zinc/66/92/44/898669244.db2.gz JPFIFVYZGMETCQ-WDEREUQCSA-N 2 2 295.387 -0.039 20 0 CBADLP C[C@@H]([NH2+]C[C@H](C)NC(=O)Cc1c[nH+]cn1C)C(=O)N(C)C ZINC001379580473 898673429 /nfs/dbraw/zinc/67/34/29/898673429.db2.gz HEVQLELWCNKPGX-WDEREUQCSA-N 2 2 295.387 -0.466 20 0 CBADLP CC[C@H](C(N)=O)[N@H+](C)C[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001379697487 898702457 /nfs/dbraw/zinc/70/24/57/898702457.db2.gz ASWMRPDKDSVHBS-CMPLNLGQSA-N 2 2 295.387 -0.108 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+](C)C[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001379697487 898702469 /nfs/dbraw/zinc/70/24/69/898702469.db2.gz ASWMRPDKDSVHBS-CMPLNLGQSA-N 2 2 295.387 -0.108 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001379717750 898707185 /nfs/dbraw/zinc/70/71/85/898707185.db2.gz FGGHZNDIFSJRHU-VXGBXAGGSA-N 2 2 295.387 -0.156 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001379717750 898707196 /nfs/dbraw/zinc/70/71/96/898707196.db2.gz FGGHZNDIFSJRHU-VXGBXAGGSA-N 2 2 295.387 -0.156 20 0 CBADLP COC[C@@H](O)C[N@H+](C)C[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001379764379 898724496 /nfs/dbraw/zinc/72/44/96/898724496.db2.gz KQBDYFHUDBWSGP-AAEUAGOBSA-N 2 2 298.387 -0.594 20 0 CBADLP COC[C@@H](O)C[N@@H+](C)C[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001379764379 898724509 /nfs/dbraw/zinc/72/45/09/898724509.db2.gz KQBDYFHUDBWSGP-AAEUAGOBSA-N 2 2 298.387 -0.594 20 0 CBADLP COC[C@@H](O)C[N@@H+]1CC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001380002130 898785191 /nfs/dbraw/zinc/78/51/91/898785191.db2.gz XOPTXZSKROEFLH-STQMWFEESA-N 2 2 296.371 -0.529 20 0 CBADLP COC[C@@H](O)C[N@H+]1CC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001380002130 898785199 /nfs/dbraw/zinc/78/51/99/898785199.db2.gz XOPTXZSKROEFLH-STQMWFEESA-N 2 2 296.371 -0.529 20 0 CBADLP Cn1ncnc1C[NH2+]C1(CNC(=O)CC[NH+](C)C)CC1 ZINC001380132339 898817894 /nfs/dbraw/zinc/81/78/94/898817894.db2.gz MJKPAQDPSPOUCC-UHFFFAOYSA-N 2 2 280.376 -0.495 20 0 CBADLP COC[C@H](O)C[NH+]1CC(N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001380257288 898841875 /nfs/dbraw/zinc/84/18/75/898841875.db2.gz OMTVZCHUSAIHJQ-CYBMUJFWSA-N 2 2 296.371 -0.659 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@]1(C)CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001380351966 898864022 /nfs/dbraw/zinc/86/40/22/898864022.db2.gz FJRQPOUYRZDIQP-SMDDNHRTSA-N 2 2 293.371 -0.354 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@]1(C)CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001380351966 898864032 /nfs/dbraw/zinc/86/40/32/898864032.db2.gz FJRQPOUYRZDIQP-SMDDNHRTSA-N 2 2 293.371 -0.354 20 0 CBADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001380647374 898928808 /nfs/dbraw/zinc/92/88/08/898928808.db2.gz CYVQOVKPKXUGOS-CHWSQXEVSA-N 2 2 299.415 -0.596 20 0 CBADLP CC(=O)NCC[NH+]1CCC([NH2+]CCN2CCCC2=O)CC1 ZINC001380710193 898936800 /nfs/dbraw/zinc/93/68/00/898936800.db2.gz PKEGAZTXUDSWIR-UHFFFAOYSA-N 2 2 296.415 -0.201 20 0 CBADLP CC(=O)NCC[NH+]1CCC([NH2+]CCn2cncn2)CC1 ZINC001380709233 898937480 /nfs/dbraw/zinc/93/74/80/898937480.db2.gz JDZLZRAYUYXBNY-UHFFFAOYSA-N 2 2 280.376 -0.532 20 0 CBADLP CO[C@H](C)C[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001380910122 898968545 /nfs/dbraw/zinc/96/85/45/898968545.db2.gz CCRFIAZFZWBZAY-CHWSQXEVSA-N 2 2 296.371 -0.265 20 0 CBADLP CNC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC001381113521 899000024 /nfs/dbraw/zinc/00/00/24/899000024.db2.gz KLNZXPFBZKPORT-VHSXEESVSA-N 2 2 279.344 -0.865 20 0 CBADLP C[C@@H]([NH2+][C@@H](C)CCNC(=O)CCc1c[nH]c[nH+]1)C(N)=O ZINC001381199125 899009575 /nfs/dbraw/zinc/00/95/75/899009575.db2.gz ZUGDOCWMBSXANZ-VHSXEESVSA-N 2 2 281.360 -0.300 20 0 CBADLP C[C@@H]([NH2+][C@@H](C)CCNC(=O)CCc1c[nH+]c[nH]1)C(N)=O ZINC001381199125 899009590 /nfs/dbraw/zinc/00/95/90/899009590.db2.gz ZUGDOCWMBSXANZ-VHSXEESVSA-N 2 2 281.360 -0.300 20 0 CBADLP CO[C@H](C)C[NH+]1CC(CCO)(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001381650017 899101511 /nfs/dbraw/zinc/10/15/11/899101511.db2.gz JDAYNXMKKQVURC-CHWSQXEVSA-N 2 2 299.415 -0.332 20 0 CBADLP CO[C@H](C)C[NH+]1CC(CCO)(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001381650017 899101521 /nfs/dbraw/zinc/10/15/21/899101521.db2.gz JDAYNXMKKQVURC-CHWSQXEVSA-N 2 2 299.415 -0.332 20 0 CBADLP COCC[NH+]1CC(CCO)(NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001381659623 899102768 /nfs/dbraw/zinc/10/27/68/899102768.db2.gz HQUDPQLJPQRMLL-UHFFFAOYSA-N 2 2 299.415 -0.330 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C1C[NH+]([C@H](C)C(N)=O)C1 ZINC001381804906 899115772 /nfs/dbraw/zinc/11/57/72/899115772.db2.gz SYNOZNUIDWWEBL-WDEREUQCSA-N 2 2 293.371 -0.498 20 0 CBADLP Cn1ccnc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001382183811 899180157 /nfs/dbraw/zinc/18/01/57/899180157.db2.gz MQDJALBFPOJQHO-VXGBXAGGSA-N 2 2 295.387 -0.919 20 0 CBADLP Cn1ccnc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001382183811 899180163 /nfs/dbraw/zinc/18/01/63/899180163.db2.gz MQDJALBFPOJQHO-VXGBXAGGSA-N 2 2 295.387 -0.919 20 0 CBADLP Cn1ccnc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001382183799 899180570 /nfs/dbraw/zinc/18/05/70/899180570.db2.gz MQDJALBFPOJQHO-NWDGAFQWSA-N 2 2 295.387 -0.919 20 0 CBADLP Cn1ccnc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001382183799 899180578 /nfs/dbraw/zinc/18/05/78/899180578.db2.gz MQDJALBFPOJQHO-NWDGAFQWSA-N 2 2 295.387 -0.919 20 0 CBADLP CC[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc1coc(C)n1)[NH+](C)C ZINC001382239433 899205701 /nfs/dbraw/zinc/20/57/01/899205701.db2.gz IELAWKXQMMSXSV-YPMHNXCESA-N 2 2 298.387 -0.110 20 0 CBADLP Cc1cc(C[NH2+][C@H](CO)CNC(=O)C[NH+]2CCCC2)on1 ZINC001382273650 899227678 /nfs/dbraw/zinc/22/76/78/899227678.db2.gz MBYUFEZHDQCHNI-LBPRGKRZSA-N 2 2 296.371 -0.354 20 0 CBADLP CCNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)Cn2cc[nH+]c2)C1 ZINC001382320120 899247516 /nfs/dbraw/zinc/24/75/16/899247516.db2.gz YEKOXSLVXWOYBA-NWDGAFQWSA-N 2 2 293.371 -0.402 20 0 CBADLP CN(C[C@H](O)C[N@H+](C)Cc1ccon1)C(=O)CC[NH+](C)C ZINC001382465662 899304949 /nfs/dbraw/zinc/30/49/49/899304949.db2.gz KYVXWJQHYCYPNN-CYBMUJFWSA-N 2 2 298.387 -0.123 20 0 CBADLP CN(C[C@H](O)C[N@@H+](C)Cc1ccon1)C(=O)CC[NH+](C)C ZINC001382465662 899304960 /nfs/dbraw/zinc/30/49/60/899304960.db2.gz KYVXWJQHYCYPNN-CYBMUJFWSA-N 2 2 298.387 -0.123 20 0 CBADLP C[C@@H]([NH2+]C1CC(N(C)C(=O)CCc2c[nH]c[nH+]2)C1)C(N)=O ZINC001382576055 899330733 /nfs/dbraw/zinc/33/07/33/899330733.db2.gz CXESRPWKGZZKMH-OIKLOGQESA-N 2 2 293.371 -0.205 20 0 CBADLP C[C@@H]([NH2+]C1CC(N(C)C(=O)CCc2c[nH+]c[nH]2)C1)C(N)=O ZINC001382576055 899330746 /nfs/dbraw/zinc/33/07/46/899330746.db2.gz CXESRPWKGZZKMH-OIKLOGQESA-N 2 2 293.371 -0.205 20 0 CBADLP CC[C@H](C(=O)N[C@H](C)CNC(=O)Cn1cc[nH+]c1)[NH+](C)C ZINC001386335210 899652187 /nfs/dbraw/zinc/65/21/87/899652187.db2.gz HCIZRCCFUUWEDX-VXGBXAGGSA-N 2 2 295.387 -0.156 20 0 CBADLP CN(CCNC(=O)Cc1c[nH]c[nH+]1)C(=O)CC[NH+](C)C ZINC001387131889 899765223 /nfs/dbraw/zinc/76/52/23/899765223.db2.gz GVPXTLJWUKKHNQ-UHFFFAOYSA-N 2 2 281.360 -0.522 20 0 CBADLP CN(CCNC(=O)[C@@H]1CCC[N@@H+]1C)C(=O)Cc1[nH]cc[nH+]1 ZINC001387671800 899807466 /nfs/dbraw/zinc/80/74/66/899807466.db2.gz RZVRBICVCBLFCT-NSHDSACASA-N 2 2 293.371 -0.379 20 0 CBADLP CN(CCNC(=O)[C@@H]1CCC[N@H+]1C)C(=O)Cc1[nH]cc[nH+]1 ZINC001387671800 899807471 /nfs/dbraw/zinc/80/74/71/899807471.db2.gz RZVRBICVCBLFCT-NSHDSACASA-N 2 2 293.371 -0.379 20 0 CBADLP CC[C@H](C(=O)NCCN(C)C(=O)Cc1c[nH+]c[nH]1)[NH+](C)C ZINC001387922624 899848340 /nfs/dbraw/zinc/84/83/40/899848340.db2.gz YOSQVFCRBDIAOE-GFCCVEGCSA-N 2 2 295.387 -0.133 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CC[C@H]1CN(C)C(=O)CCC[NH+](C)C ZINC001388650224 899895287 /nfs/dbraw/zinc/89/52/87/899895287.db2.gz VARDPTQEGRFHFR-NEPJUHHUSA-N 2 2 284.404 -0.265 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CC[C@H]1CN(C)C(=O)CCC[NH+](C)C ZINC001388650224 899895297 /nfs/dbraw/zinc/89/52/97/899895297.db2.gz VARDPTQEGRFHFR-NEPJUHHUSA-N 2 2 284.404 -0.265 20 0 CBADLP CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+](C)C ZINC001388651647 899898089 /nfs/dbraw/zinc/89/80/89/899898089.db2.gz XTIFJMMRASINCN-GFCCVEGCSA-N 2 2 284.404 -0.393 20 0 CBADLP CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+](C)C ZINC001388651647 899898097 /nfs/dbraw/zinc/89/80/97/899898097.db2.gz XTIFJMMRASINCN-GFCCVEGCSA-N 2 2 284.404 -0.393 20 0 CBADLP CC[C@H](C(=O)NC1CN(C(=O)Cc2[nH]cc[nH+]2)C1)[NH+](C)C ZINC001389263360 899980771 /nfs/dbraw/zinc/98/07/71/899980771.db2.gz CBQQPCSHYWBDNS-LLVKDONJSA-N 2 2 293.371 -0.381 20 0 CBADLP CCC[N@H+](C)CC(=O)N1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001389381890 900002696 /nfs/dbraw/zinc/00/26/96/900002696.db2.gz GMNWDJWFINFNQQ-UHFFFAOYSA-N 2 2 293.371 -0.379 20 0 CBADLP CCC[N@@H+](C)CC(=O)N1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001389381890 900002702 /nfs/dbraw/zinc/00/27/02/900002702.db2.gz GMNWDJWFINFNQQ-UHFFFAOYSA-N 2 2 293.371 -0.379 20 0 CBADLP O=C(CC[NH+]1CCOCC1)N[C@H]1CC[N@@H+](CCF)C1 ZINC001389495655 900030864 /nfs/dbraw/zinc/03/08/64/900030864.db2.gz YCIOSWPKEWKLCI-LBPRGKRZSA-N 2 2 273.352 -0.131 20 0 CBADLP O=C(CC[NH+]1CCOCC1)N[C@H]1CC[N@H+](CCF)C1 ZINC001389495655 900030872 /nfs/dbraw/zinc/03/08/72/900030872.db2.gz YCIOSWPKEWKLCI-LBPRGKRZSA-N 2 2 273.352 -0.131 20 0 CBADLP C[NH+](C)CCC(=O)NCC1(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001389967492 900098591 /nfs/dbraw/zinc/09/85/91/900098591.db2.gz HXRLJSXLBCEFPN-UHFFFAOYSA-N 2 2 293.371 -0.400 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]Cc1cnns1 ZINC001390318239 900133851 /nfs/dbraw/zinc/13/38/51/900133851.db2.gz HCEHXSKQCLGIQQ-KOLCDFICSA-N 2 2 299.400 -0.537 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]Cc1cnns1 ZINC001390318239 900133860 /nfs/dbraw/zinc/13/38/60/900133860.db2.gz HCEHXSKQCLGIQQ-KOLCDFICSA-N 2 2 299.400 -0.537 20 0 CBADLP CC(C)N(C)C(=O)C[NH2+][C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001390538920 900183553 /nfs/dbraw/zinc/18/35/53/900183553.db2.gz BQGQUOHRVPGKPW-GFCCVEGCSA-N 2 2 295.387 -0.156 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](C[NH2+][C@@H](C)C(N)=O)C1 ZINC001390605817 900196740 /nfs/dbraw/zinc/19/67/40/900196740.db2.gz MHYQVHYTTHDHND-WDEREUQCSA-N 2 2 293.371 -0.427 20 0 CBADLP C[C@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+][C@H]1CCCNC1=O ZINC001390724918 900214646 /nfs/dbraw/zinc/21/46/46/900214646.db2.gz AERAODVVROXOHL-NEPJUHHUSA-N 2 2 293.371 -0.354 20 0 CBADLP CC[C@H](C(=O)NCC[N@H+](C)CC(=O)N1CCCC1)[NH+](C)C ZINC001390778714 900241807 /nfs/dbraw/zinc/24/18/07/900241807.db2.gz PAIWROFJANLGJB-CYBMUJFWSA-N 2 2 298.431 -0.003 20 0 CBADLP CC[C@H](C(=O)NCC[N@@H+](C)CC(=O)N1CCCC1)[NH+](C)C ZINC001390778714 900241820 /nfs/dbraw/zinc/24/18/20/900241820.db2.gz PAIWROFJANLGJB-CYBMUJFWSA-N 2 2 298.431 -0.003 20 0 CBADLP C[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)CC(=O)NC1CC1 ZINC001390785664 900245085 /nfs/dbraw/zinc/24/50/85/900245085.db2.gz RETPKWOEWYJFCU-CYBMUJFWSA-N 2 2 296.415 -0.203 20 0 CBADLP C[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)CC(=O)NC1CC1 ZINC001390785664 900245094 /nfs/dbraw/zinc/24/50/94/900245094.db2.gz RETPKWOEWYJFCU-CYBMUJFWSA-N 2 2 296.415 -0.203 20 0 CBADLP C[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1C)CC(=O)NC1CC1 ZINC001390785664 900245102 /nfs/dbraw/zinc/24/51/02/900245102.db2.gz RETPKWOEWYJFCU-CYBMUJFWSA-N 2 2 296.415 -0.203 20 0 CBADLP C[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1C)CC(=O)NC1CC1 ZINC001390785664 900245119 /nfs/dbraw/zinc/24/51/19/900245119.db2.gz RETPKWOEWYJFCU-CYBMUJFWSA-N 2 2 296.415 -0.203 20 0 CBADLP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH+](C)CC(N)=O ZINC001390823316 900256164 /nfs/dbraw/zinc/25/61/64/900256164.db2.gz DFYPCWYTRUNITE-GFCCVEGCSA-N 2 2 284.404 -0.217 20 0 CBADLP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC[NH+](C)CC(N)=O ZINC001390823316 900256174 /nfs/dbraw/zinc/25/61/74/900256174.db2.gz DFYPCWYTRUNITE-GFCCVEGCSA-N 2 2 284.404 -0.217 20 0 CBADLP CC(C)[NH+]1CCCC[C@@H]1C(=O)NCC[N@H+](C)CC(N)=O ZINC001390823316 900256186 /nfs/dbraw/zinc/25/61/86/900256186.db2.gz DFYPCWYTRUNITE-GFCCVEGCSA-N 2 2 284.404 -0.217 20 0 CBADLP CC(C)[NH+]1CCCC[C@@H]1C(=O)NCC[N@@H+](C)CC(N)=O ZINC001390823316 900256199 /nfs/dbraw/zinc/25/61/99/900256199.db2.gz DFYPCWYTRUNITE-GFCCVEGCSA-N 2 2 284.404 -0.217 20 0 CBADLP CC1CC[NH+](CC(=O)NCC[N@H+](C)CC(N)=O)CC1 ZINC001390833816 900261101 /nfs/dbraw/zinc/26/11/01/900261101.db2.gz BLHULGZMDHPCHL-UHFFFAOYSA-N 2 2 270.377 -0.748 20 0 CBADLP CC1CC[NH+](CC(=O)NCC[N@@H+](C)CC(N)=O)CC1 ZINC001390833816 900261114 /nfs/dbraw/zinc/26/11/14/900261114.db2.gz BLHULGZMDHPCHL-UHFFFAOYSA-N 2 2 270.377 -0.748 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+](CC)CCNC(=O)Cn1c[nH+]cc1C ZINC001390942814 900283842 /nfs/dbraw/zinc/28/38/42/900283842.db2.gz ZOUXFYSJOVNUHE-LBPRGKRZSA-N 2 2 295.387 -0.106 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+](CC)CCNC(=O)Cn1c[nH+]cc1C ZINC001390942814 900283852 /nfs/dbraw/zinc/28/38/52/900283852.db2.gz ZOUXFYSJOVNUHE-LBPRGKRZSA-N 2 2 295.387 -0.106 20 0 CBADLP CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1CC(N)=O)[NH+](C)C ZINC001391063019 900297545 /nfs/dbraw/zinc/29/75/45/900297545.db2.gz RMCVWDVJLYIZHS-WCQYABFASA-N 2 2 284.404 -0.362 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001391093669 900309246 /nfs/dbraw/zinc/30/92/46/900309246.db2.gz DTHRSPQMUPWWBP-LBPRGKRZSA-N 2 2 293.371 -0.624 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001391093669 900309261 /nfs/dbraw/zinc/30/92/61/900309261.db2.gz DTHRSPQMUPWWBP-LBPRGKRZSA-N 2 2 293.371 -0.624 20 0 CBADLP CC[C@@H](C(=O)NCC[N@H+](CC(=O)N(C)C)C1CC1)[NH+](C)C ZINC001391191516 900329235 /nfs/dbraw/zinc/32/92/35/900329235.db2.gz LMBDNCNKTRIVJL-ZDUSSCGKSA-N 2 2 298.431 -0.005 20 0 CBADLP CC[C@@H](C(=O)NCC[N@@H+](CC(=O)N(C)C)C1CC1)[NH+](C)C ZINC001391191516 900329240 /nfs/dbraw/zinc/32/92/40/900329240.db2.gz LMBDNCNKTRIVJL-ZDUSSCGKSA-N 2 2 298.431 -0.005 20 0 CBADLP CCCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001391287264 900351222 /nfs/dbraw/zinc/35/12/22/900351222.db2.gz GEYGKHJHFQDXTE-OLZOCXBDSA-N 2 2 296.415 -0.264 20 0 CBADLP CCCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001391287264 900351229 /nfs/dbraw/zinc/35/12/29/900351229.db2.gz GEYGKHJHFQDXTE-OLZOCXBDSA-N 2 2 296.415 -0.264 20 0 CBADLP CCCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](CC(N)=O)C1 ZINC001391287264 900351235 /nfs/dbraw/zinc/35/12/35/900351235.db2.gz GEYGKHJHFQDXTE-OLZOCXBDSA-N 2 2 296.415 -0.264 20 0 CBADLP CCCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](CC(N)=O)C1 ZINC001391287264 900351240 /nfs/dbraw/zinc/35/12/40/900351240.db2.gz GEYGKHJHFQDXTE-OLZOCXBDSA-N 2 2 296.415 -0.264 20 0 CBADLP C[C@H](CNC(=O)CC[NH+](C)C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001391326905 900354551 /nfs/dbraw/zinc/35/45/51/900354551.db2.gz DECQOSOBHQCLLV-LLVKDONJSA-N 2 2 295.387 -0.228 20 0 CBADLP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1CCC[NH+](CC(N)=O)C1 ZINC001391389790 900367127 /nfs/dbraw/zinc/36/71/27/900367127.db2.gz WKNZZDAFSGVQFS-QWHCGFSZSA-N 2 2 296.415 -0.073 20 0 CBADLP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@H]1CCC[NH+](CC(N)=O)C1 ZINC001391389790 900367136 /nfs/dbraw/zinc/36/71/36/900367136.db2.gz WKNZZDAFSGVQFS-QWHCGFSZSA-N 2 2 296.415 -0.073 20 0 CBADLP C[NH+]1CCC[C@@H]1CCC(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001391389790 900367145 /nfs/dbraw/zinc/36/71/45/900367145.db2.gz WKNZZDAFSGVQFS-QWHCGFSZSA-N 2 2 296.415 -0.073 20 0 CBADLP C[NH+]1CCC[C@@H]1CCC(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001391389790 900367155 /nfs/dbraw/zinc/36/71/55/900367155.db2.gz WKNZZDAFSGVQFS-QWHCGFSZSA-N 2 2 296.415 -0.073 20 0 CBADLP CC[NH+](CC)C[C@H](F)C(=O)NC1C[NH+](C[C@@H](C)O)C1 ZINC001391429361 900378390 /nfs/dbraw/zinc/37/83/90/900378390.db2.gz KOPMXGFIIMNIRD-PWSUYJOCSA-N 2 2 275.368 -0.153 20 0 CBADLP CC[NH+](CC)C[C@@H](F)C(=O)NC1C[NH+](C[C@H](C)O)C1 ZINC001391429357 900378998 /nfs/dbraw/zinc/37/89/98/900378998.db2.gz KOPMXGFIIMNIRD-CMPLNLGQSA-N 2 2 275.368 -0.153 20 0 CBADLP O=C(Cn1cc[nH+]c1)NCC1C[NH+](CCn2cncn2)C1 ZINC001391514949 900397833 /nfs/dbraw/zinc/39/78/33/900397833.db2.gz LIJKOWFGFNGWLG-UHFFFAOYSA-N 2 2 289.343 -0.777 20 0 CBADLP CC[C@H](C(=O)NCC1C[NH+](CC(N)=O)C1)[NH+](CC)CC ZINC001391502860 900399237 /nfs/dbraw/zinc/39/92/37/900399237.db2.gz OEGDDHLHLJXXAE-GFCCVEGCSA-N 2 2 284.404 -0.360 20 0 CBADLP CC[C@H](C(=O)N(C)[C@H]1CC[N@H+](CC(=O)NC)C1)[NH+](C)C ZINC001391612995 900416749 /nfs/dbraw/zinc/41/67/49/900416749.db2.gz HDPPZSCYFURDLJ-NWDGAFQWSA-N 2 2 284.404 -0.395 20 0 CBADLP CC[C@H](C(=O)N(C)[C@H]1CC[N@@H+](CC(=O)NC)C1)[NH+](C)C ZINC001391612995 900416757 /nfs/dbraw/zinc/41/67/57/900416757.db2.gz HDPPZSCYFURDLJ-NWDGAFQWSA-N 2 2 284.404 -0.395 20 0 CBADLP CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1)[NH+](C)C ZINC001391594734 900418418 /nfs/dbraw/zinc/41/84/18/900418418.db2.gz TZFCFYKJPDPOKG-ZYHUDNBSSA-N 2 2 270.377 -0.752 20 0 CBADLP CC(C)[C@H](C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1)[NH+](C)C ZINC001391594734 900418422 /nfs/dbraw/zinc/41/84/22/900418422.db2.gz TZFCFYKJPDPOKG-ZYHUDNBSSA-N 2 2 270.377 -0.752 20 0 CBADLP CC[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+][C@H]1CCNC1=O ZINC001391757935 900445436 /nfs/dbraw/zinc/44/54/36/900445436.db2.gz OYTZIBAKIRBGPS-MNOVXSKESA-N 2 2 279.344 -0.744 20 0 CBADLP NC(=O)C[NH2+]CC1(NC(=O)Cn2cc[nH+]c2)CCCC1 ZINC001391782921 900448428 /nfs/dbraw/zinc/44/84/28/900448428.db2.gz YPFNSUYSKCORTE-UHFFFAOYSA-N 2 2 279.344 -0.613 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C[NH2+]Cc1nnn(C)n1 ZINC001391882622 900458527 /nfs/dbraw/zinc/45/85/27/900458527.db2.gz RYZOFMUDNMUIKR-MNOVXSKESA-N 2 2 295.391 -0.854 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)C[NH2+]Cc1nnn(C)n1 ZINC001391882622 900458540 /nfs/dbraw/zinc/45/85/40/900458540.db2.gz RYZOFMUDNMUIKR-MNOVXSKESA-N 2 2 295.391 -0.854 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]C[C@@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001391911421 900463037 /nfs/dbraw/zinc/46/30/37/900463037.db2.gz KCYNBVKNSMIFCX-VXGBXAGGSA-N 2 2 295.387 -0.250 20 0 CBADLP C[C@@H](O)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001391970910 900477359 /nfs/dbraw/zinc/47/73/59/900477359.db2.gz JYBNNAVLMAMKDO-TZMCWYRMSA-N 2 2 299.415 -0.332 20 0 CBADLP C[C@@H](O)C[N@H+]1CCO[C@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001391970910 900477363 /nfs/dbraw/zinc/47/73/63/900477363.db2.gz JYBNNAVLMAMKDO-TZMCWYRMSA-N 2 2 299.415 -0.332 20 0 CBADLP C[C@@H](O)C[NH+]1CCO[C@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001391970910 900477365 /nfs/dbraw/zinc/47/73/65/900477365.db2.gz JYBNNAVLMAMKDO-TZMCWYRMSA-N 2 2 299.415 -0.332 20 0 CBADLP C[C@@H](O)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001391970910 900477369 /nfs/dbraw/zinc/47/73/69/900477369.db2.gz JYBNNAVLMAMKDO-TZMCWYRMSA-N 2 2 299.415 -0.332 20 0 CBADLP C[NH+](C)CC1(C(=O)NC[C@@H]2C[N@H+](CCO)CCO2)CC1 ZINC001391981653 900482127 /nfs/dbraw/zinc/48/21/27/900482127.db2.gz PGZPGVRGFAMXMT-GFCCVEGCSA-N 2 2 285.388 -0.863 20 0 CBADLP C[NH+](C)CC1(C(=O)NC[C@@H]2C[N@@H+](CCO)CCO2)CC1 ZINC001391981653 900482136 /nfs/dbraw/zinc/48/21/36/900482136.db2.gz PGZPGVRGFAMXMT-GFCCVEGCSA-N 2 2 285.388 -0.863 20 0 CBADLP C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)Cc1c[nH+]c[nH]1)C(=O)N(C)C ZINC001392109938 900515274 /nfs/dbraw/zinc/51/52/74/900515274.db2.gz SLSMTQOOYPOWPQ-WDEREUQCSA-N 2 2 295.387 -0.135 20 0 CBADLP C[C@@H](C[NH2+][C@@H](C)C(=O)N(C)C)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001392109937 900516410 /nfs/dbraw/zinc/51/64/10/900516410.db2.gz SLSMTQOOYPOWPQ-QWRGUYRKSA-N 2 2 295.387 -0.135 20 0 CBADLP COC[C@H](O)C[NH2+]C[C@@H](C)N(C)C(=O)Cn1cc[nH+]c1 ZINC001392139505 900520747 /nfs/dbraw/zinc/52/07/47/900520747.db2.gz HQGPSMJNHOUBDT-VXGBXAGGSA-N 2 2 284.360 -0.673 20 0 CBADLP CC(C)NC(=O)C[NH2+]C[C@H](C)N(C)C(=O)Cn1cc[nH+]c1 ZINC001392138501 900521545 /nfs/dbraw/zinc/52/15/45/900521545.db2.gz CSDGOFYBRJSMFM-LBPRGKRZSA-N 2 2 295.387 -0.156 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+](C)CCN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001392286215 900554453 /nfs/dbraw/zinc/55/44/53/900554453.db2.gz ANVQLEGTCHVMLS-CHWSQXEVSA-N 2 2 298.431 -0.005 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+](C)CCN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001392286215 900554463 /nfs/dbraw/zinc/55/44/63/900554463.db2.gz ANVQLEGTCHVMLS-CHWSQXEVSA-N 2 2 298.431 -0.005 20 0 CBADLP CNC(=O)[C@@H](C)[NH+](C)CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001392286215 900554467 /nfs/dbraw/zinc/55/44/67/900554467.db2.gz ANVQLEGTCHVMLS-CHWSQXEVSA-N 2 2 298.431 -0.005 20 0 CBADLP CNC(=O)[C@@H](C)[NH+](C)CCN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001392286215 900554475 /nfs/dbraw/zinc/55/44/75/900554475.db2.gz ANVQLEGTCHVMLS-CHWSQXEVSA-N 2 2 298.431 -0.005 20 0 CBADLP COC[C@@H](O)C[N@H+](C)CCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001392305841 900559755 /nfs/dbraw/zinc/55/97/55/900559755.db2.gz VJMNLWIEPMJKRK-LBPRGKRZSA-N 2 2 284.360 -0.650 20 0 CBADLP COC[C@@H](O)C[N@@H+](C)CCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001392305841 900559762 /nfs/dbraw/zinc/55/97/62/900559762.db2.gz VJMNLWIEPMJKRK-LBPRGKRZSA-N 2 2 284.360 -0.650 20 0 CBADLP O=C(NC[C@H](O)C[NH2+]CC1CC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001392383934 900596961 /nfs/dbraw/zinc/59/69/61/900596961.db2.gz UEWCIAWJWMCNHF-TZMCWYRMSA-N 2 2 292.383 -0.078 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H](O)C[NH2+]C[C@@H]1CCOC1 ZINC001392412010 900608686 /nfs/dbraw/zinc/60/86/86/900608686.db2.gz SJJJNEOPTUFAJN-QWRGUYRKSA-N 2 2 282.344 -0.945 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001392489728 900634798 /nfs/dbraw/zinc/63/47/98/900634798.db2.gz CPYNLGGBPPQVRI-GHMZBOCLSA-N 2 2 293.371 -0.714 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@H](C)C[NH2+]Cc1nnnn1C ZINC001392531501 900651324 /nfs/dbraw/zinc/65/13/24/900651324.db2.gz SUMDCVQVEWGONX-SECBINFHSA-N 2 2 292.347 -0.990 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC1CN(C(=O)CC[NH+](C)C)C1 ZINC001456330890 914465186 /nfs/dbraw/zinc/46/51/86/914465186.db2.gz HXIGZUKMBDHTBU-UHFFFAOYSA-N 2 2 293.371 -0.759 20 0 CBADLP Cc1nnc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)o1 ZINC001392612070 900678245 /nfs/dbraw/zinc/67/82/45/900678245.db2.gz FJABJKTZALXOIS-ONGXEEELSA-N 2 2 281.360 -0.076 20 0 CBADLP Cc1nnc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)o1 ZINC001392612070 900678248 /nfs/dbraw/zinc/67/82/48/900678248.db2.gz FJABJKTZALXOIS-ONGXEEELSA-N 2 2 281.360 -0.076 20 0 CBADLP C[C@H](O)C[NH2+]C[C@H](NC(=O)Cc1c[nH+]cn1C)C1CC1 ZINC001392799251 900726907 /nfs/dbraw/zinc/72/69/07/900726907.db2.gz KVKLYEGTWLGZGE-GWCFXTLKSA-N 2 2 280.372 -0.172 20 0 CBADLP C[C@@H](O)C[N@@H+]1CC[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001392874450 900747662 /nfs/dbraw/zinc/74/76/62/900747662.db2.gz IRLBKJAGCNQEBC-YPMHNXCESA-N 2 2 280.372 -0.076 20 0 CBADLP C[C@@H](O)C[N@H+]1CC[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001392874450 900747673 /nfs/dbraw/zinc/74/76/73/900747673.db2.gz IRLBKJAGCNQEBC-YPMHNXCESA-N 2 2 280.372 -0.076 20 0 CBADLP Cn1nnnc1C[NH2+]C1(CNC(=O)CCC[NH+](C)C)CC1 ZINC001392930023 900763057 /nfs/dbraw/zinc/76/30/57/900763057.db2.gz NRPCPUMGVXUJAJ-UHFFFAOYSA-N 2 2 295.391 -0.710 20 0 CBADLP NC(=O)C[NH2+]C1(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001392921391 900763403 /nfs/dbraw/zinc/76/34/03/900763403.db2.gz XTTUIEJYBFGXBO-JTQLQIEISA-N 2 2 291.355 -0.831 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@]1(C)CC[N@H+](CC(N)=O)C1 ZINC001393122556 900797251 /nfs/dbraw/zinc/79/72/51/900797251.db2.gz VIJWLROCJXOBIX-CYBMUJFWSA-N 2 2 279.344 -0.743 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@]1(C)CC[N@@H+](CC(N)=O)C1 ZINC001393122556 900797263 /nfs/dbraw/zinc/79/72/63/900797263.db2.gz VIJWLROCJXOBIX-CYBMUJFWSA-N 2 2 279.344 -0.743 20 0 CBADLP C[C@H](O)C[N@@H+]1CC[C@@](O)(CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001393256824 900819825 /nfs/dbraw/zinc/81/98/25/900819825.db2.gz SCFAESFCYYPHHG-SMDDNHRTSA-N 2 2 296.371 -0.724 20 0 CBADLP C[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001393256824 900819832 /nfs/dbraw/zinc/81/98/32/900819832.db2.gz SCFAESFCYYPHHG-SMDDNHRTSA-N 2 2 296.371 -0.724 20 0 CBADLP C[C@H](O)C[N@@H+]1CC[C@@](O)(CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001393256824 900819837 /nfs/dbraw/zinc/81/98/37/900819837.db2.gz SCFAESFCYYPHHG-SMDDNHRTSA-N 2 2 296.371 -0.724 20 0 CBADLP C[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001393256824 900819844 /nfs/dbraw/zinc/81/98/44/900819844.db2.gz SCFAESFCYYPHHG-SMDDNHRTSA-N 2 2 296.371 -0.724 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@]1(O)CC[N@H+](CCCO)C1 ZINC001393296860 900833041 /nfs/dbraw/zinc/83/30/41/900833041.db2.gz YNYKYZJPZPOORR-AWEZNQCLSA-N 2 2 296.371 -0.804 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@]1(O)CC[N@@H+](CCCO)C1 ZINC001393296860 900833047 /nfs/dbraw/zinc/83/30/47/900833047.db2.gz YNYKYZJPZPOORR-AWEZNQCLSA-N 2 2 296.371 -0.804 20 0 CBADLP CC[C@@H](C[NH+]1CC(O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1)OC ZINC001393304388 900836097 /nfs/dbraw/zinc/83/60/97/900836097.db2.gz PEVMGOSYBRGAQV-QWHCGFSZSA-N 2 2 299.415 -0.332 20 0 CBADLP CC[C@@H](C[NH+]1CC(O)(CNC(=O)[C@H]2CCC[N@H+]2C)C1)OC ZINC001393304388 900836105 /nfs/dbraw/zinc/83/61/05/900836105.db2.gz PEVMGOSYBRGAQV-QWHCGFSZSA-N 2 2 299.415 -0.332 20 0 CBADLP COC[C@@H](C)[NH+]1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001393312807 900838405 /nfs/dbraw/zinc/83/84/05/900838405.db2.gz BMKHAPPHDGUPEB-JHJVBQTASA-N 2 2 299.415 -0.476 20 0 CBADLP COC[C@@H](C)[NH+]1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001393312807 900838415 /nfs/dbraw/zinc/83/84/15/900838415.db2.gz BMKHAPPHDGUPEB-JHJVBQTASA-N 2 2 299.415 -0.476 20 0 CBADLP CO[C@@H](C)C[NH+]1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001393353526 900846185 /nfs/dbraw/zinc/84/61/85/900846185.db2.gz JMBLLLXJCMFOPK-RYUDHWBXSA-N 2 2 285.388 -0.864 20 0 CBADLP CO[C@@H](C)C[NH+]1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001393353526 900846204 /nfs/dbraw/zinc/84/62/04/900846204.db2.gz JMBLLLXJCMFOPK-RYUDHWBXSA-N 2 2 285.388 -0.864 20 0 CBADLP COC[C@H](C)[NH+]1CC(O)(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001393355581 900847041 /nfs/dbraw/zinc/84/70/41/900847041.db2.gz AVBWNOTZTQCZEY-LBPRGKRZSA-N 2 2 287.404 -0.476 20 0 CBADLP COC[C@H](C)[NH+]1CC(O)(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001393355581 900847046 /nfs/dbraw/zinc/84/70/46/900847046.db2.gz AVBWNOTZTQCZEY-LBPRGKRZSA-N 2 2 287.404 -0.476 20 0 CBADLP C[C@@H](C(N)=O)[N@H+](C)CCCN(C)C(=O)Cc1c[nH+]cn1C ZINC001393644043 900888747 /nfs/dbraw/zinc/88/87/47/900888747.db2.gz LIICIJZYCXTPFG-NSHDSACASA-N 2 2 295.387 -0.383 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+](C)CCCN(C)C(=O)Cc1c[nH+]cn1C ZINC001393644043 900888758 /nfs/dbraw/zinc/88/87/58/900888758.db2.gz LIICIJZYCXTPFG-NSHDSACASA-N 2 2 295.387 -0.383 20 0 CBADLP C[C@H](O)C[NH+]1CC2(C1)C[C@H](NC(=O)CCC[NH+](C)C)CO2 ZINC001393678277 900893039 /nfs/dbraw/zinc/89/30/39/900893039.db2.gz WOXGLIUSWHNIGV-STQMWFEESA-N 2 2 299.415 -0.332 20 0 CBADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1[NH2+]CC(=O)N(C)C ZINC001393746367 900899312 /nfs/dbraw/zinc/89/93/12/900899312.db2.gz UAHBTUJIZBBBAT-NEPJUHHUSA-N 2 2 293.371 -0.592 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@@H](C)CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001393803987 900909629 /nfs/dbraw/zinc/90/96/29/900909629.db2.gz GXJREQWBISNVRP-WDEREUQCSA-N 2 2 295.387 -0.039 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@@H](C)CCNC(=O)CCc1c[nH+]c[nH]1 ZINC001393803987 900909638 /nfs/dbraw/zinc/90/96/38/900909638.db2.gz GXJREQWBISNVRP-WDEREUQCSA-N 2 2 295.387 -0.039 20 0 CBADLP CCCNC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001393976480 900944766 /nfs/dbraw/zinc/94/47/66/900944766.db2.gz BISQRCSZBCJCPE-MNOVXSKESA-N 2 2 295.387 -0.039 20 0 CBADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[N@H+](C)CCn1cncn1 ZINC001394144650 900988665 /nfs/dbraw/zinc/98/86/65/900988665.db2.gz QWLNKXWUTDDYAD-GFCCVEGCSA-N 2 2 291.359 -0.389 20 0 CBADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[N@@H+](C)CCn1cncn1 ZINC001394144650 900988678 /nfs/dbraw/zinc/98/86/78/900988678.db2.gz QWLNKXWUTDDYAD-GFCCVEGCSA-N 2 2 291.359 -0.389 20 0 CBADLP C[C@H](O)C[NH+]1CC(CCO)(NC(=O)C[NH+]2CCCC2)C1 ZINC001394165923 900991685 /nfs/dbraw/zinc/99/16/85/900991685.db2.gz INGFGCXSCHBQIR-LBPRGKRZSA-N 2 2 285.388 -0.984 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[C@H](C[NH2+]CC(N)=O)C1 ZINC001394380881 901022188 /nfs/dbraw/zinc/02/21/88/901022188.db2.gz DOWFQQRDAPATGT-GMTAPVOTSA-N 2 2 293.371 -0.442 20 0 CBADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1C[C@H](C[NH2+]CC(N)=O)C1 ZINC001394380881 901022199 /nfs/dbraw/zinc/02/21/99/901022199.db2.gz DOWFQQRDAPATGT-GMTAPVOTSA-N 2 2 293.371 -0.442 20 0 CBADLP CC[C@H]([NH2+][C@H](C)CN(C)C(=O)Cc1[nH]cc[nH+]1)C(N)=O ZINC001394545946 901045485 /nfs/dbraw/zinc/04/54/85/901045485.db2.gz PKZJRTOGULFEBJ-ZJUUUORDSA-N 2 2 281.360 -0.347 20 0 CBADLP O=C(NC[C@H](CO)[NH2+]CC1CC1)[C@H]1CCn2cc[nH+]c2C1 ZINC001394608204 901085701 /nfs/dbraw/zinc/08/57/01/901085701.db2.gz QIUCEHSCNRNQHY-QWHCGFSZSA-N 2 2 292.383 -0.078 20 0 CBADLP CC[C@H](F)C[NH2+][C@H](CO)CNC(=O)Cc1c[nH+]cn1C ZINC001394653852 901110073 /nfs/dbraw/zinc/11/00/73/901110073.db2.gz RCOUPDONOBQSHX-QWRGUYRKSA-N 2 2 286.351 -0.223 20 0 CBADLP C[C@H]1C[C@H]([NH2+]CC(=O)N(C)C)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001394666139 901116031 /nfs/dbraw/zinc/11/60/31/901116031.db2.gz FSTSXNFNOJLKSJ-QWRGUYRKSA-N 2 2 293.371 -0.381 20 0 CBADLP CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001394741723 901135689 /nfs/dbraw/zinc/13/56/89/901135689.db2.gz KBLICYCSWJRIIK-DGCLKSJQSA-N 2 2 280.372 -0.126 20 0 CBADLP CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001394741646 901135830 /nfs/dbraw/zinc/13/58/30/901135830.db2.gz JVBUGIWCMXWSFS-VXGBXAGGSA-N 2 2 280.372 -0.126 20 0 CBADLP CO[C@@H](C)C[NH2+]C[C@@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001394761262 901143427 /nfs/dbraw/zinc/14/34/27/901143427.db2.gz ZFXFSSUJVHXXQE-CMPLNLGQSA-N 2 2 284.360 -0.604 20 0 CBADLP COC[C@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001394786729 901152961 /nfs/dbraw/zinc/15/29/61/901152961.db2.gz SULXUHKMKFGQLX-WCQYABFASA-N 2 2 298.387 -0.262 20 0 CBADLP COC[C@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001394786729 901152966 /nfs/dbraw/zinc/15/29/66/901152966.db2.gz SULXUHKMKFGQLX-WCQYABFASA-N 2 2 298.387 -0.262 20 0 CBADLP CC(C)N(CC[N@H+](C)CCO)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001394800045 901157795 /nfs/dbraw/zinc/15/77/95/901157795.db2.gz BZJXJUQUMZNXCY-ZDUSSCGKSA-N 2 2 287.404 -0.522 20 0 CBADLP CC(C)N(CC[N@@H+](C)CCO)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001394800045 901157799 /nfs/dbraw/zinc/15/77/99/901157799.db2.gz BZJXJUQUMZNXCY-ZDUSSCGKSA-N 2 2 287.404 -0.522 20 0 CBADLP CC(C)N(CC[NH+](C)CCO)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001394800045 901157808 /nfs/dbraw/zinc/15/78/08/901157808.db2.gz BZJXJUQUMZNXCY-ZDUSSCGKSA-N 2 2 287.404 -0.522 20 0 CBADLP CC(C)N(CC[NH+](C)CCO)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001394800045 901157813 /nfs/dbraw/zinc/15/78/13/901157813.db2.gz BZJXJUQUMZNXCY-ZDUSSCGKSA-N 2 2 287.404 -0.522 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)C[NH+](C)C(C)C ZINC001397046086 901359257 /nfs/dbraw/zinc/35/92/57/901359257.db2.gz RMNQEFQXUAGVKR-OLZOCXBDSA-N 2 2 298.431 -0.006 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)C[NH+](C)C(C)C ZINC001397046086 901359266 /nfs/dbraw/zinc/35/92/66/901359266.db2.gz RMNQEFQXUAGVKR-OLZOCXBDSA-N 2 2 298.431 -0.006 20 0 CBADLP CNC(=O)[C@@H](C)[NH+]1CC[C@H]1CN(C)C(=O)C[N@H+](C)C(C)C ZINC001397046086 901359276 /nfs/dbraw/zinc/35/92/76/901359276.db2.gz RMNQEFQXUAGVKR-OLZOCXBDSA-N 2 2 298.431 -0.006 20 0 CBADLP CNC(=O)[C@@H](C)[NH+]1CC[C@H]1CN(C)C(=O)C[N@@H+](C)C(C)C ZINC001397046086 901359284 /nfs/dbraw/zinc/35/92/84/901359284.db2.gz RMNQEFQXUAGVKR-OLZOCXBDSA-N 2 2 298.431 -0.006 20 0 CBADLP CCC[N@H+](C)CC(=O)N[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001397551815 901427724 /nfs/dbraw/zinc/42/77/24/901427724.db2.gz ZPHUAUGSMAJCGI-LLVKDONJSA-N 2 2 295.387 -0.085 20 0 CBADLP CCC[N@@H+](C)CC(=O)N[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001397551815 901427732 /nfs/dbraw/zinc/42/77/32/901427732.db2.gz ZPHUAUGSMAJCGI-LLVKDONJSA-N 2 2 295.387 -0.085 20 0 CBADLP CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001398357202 901524625 /nfs/dbraw/zinc/52/46/25/901524625.db2.gz NLIRHCQJICHTPY-NEPJUHHUSA-N 2 2 282.388 -0.735 20 0 CBADLP CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001398357202 901524633 /nfs/dbraw/zinc/52/46/33/901524633.db2.gz NLIRHCQJICHTPY-NEPJUHHUSA-N 2 2 282.388 -0.735 20 0 CBADLP CCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001398357202 901524639 /nfs/dbraw/zinc/52/46/39/901524639.db2.gz NLIRHCQJICHTPY-NEPJUHHUSA-N 2 2 282.388 -0.735 20 0 CBADLP CCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001398357202 901524647 /nfs/dbraw/zinc/52/46/47/901524647.db2.gz NLIRHCQJICHTPY-NEPJUHHUSA-N 2 2 282.388 -0.735 20 0 CBADLP C[NH+](C)CCC(=O)N1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC001398618630 901577007 /nfs/dbraw/zinc/57/70/07/901577007.db2.gz KIZFRFOWPMZUHD-UHFFFAOYSA-N 2 2 279.344 -0.838 20 0 CBADLP CC[C@@H]([NH2+][C@H](C)CNC(=O)CCn1cc[nH+]c1)C(N)=O ZINC001399048867 901658600 /nfs/dbraw/zinc/65/86/00/901658600.db2.gz QPBUDKASPAURLP-GHMZBOCLSA-N 2 2 281.360 -0.369 20 0 CBADLP CC[C@@H]([NH2+][C@H](C)CNC(=O)Cc1c[nH+]cn1C)C(N)=O ZINC001399096206 901661402 /nfs/dbraw/zinc/66/14/02/901661402.db2.gz BJFOZFKHNVNXFT-MWLCHTKSSA-N 2 2 281.360 -0.679 20 0 CBADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]Cc1ccn(C)n1 ZINC001399105619 901666720 /nfs/dbraw/zinc/66/67/20/901666720.db2.gz HVZMQCMIAJPLRY-LLVKDONJSA-N 2 2 290.371 -0.009 20 0 CBADLP Cc1noc(C[NH2+][C@H](C)CNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001399119008 901667930 /nfs/dbraw/zinc/66/79/30/901667930.db2.gz PCPKOKIPJNKNNT-KOLCDFICSA-N 2 2 281.360 -0.076 20 0 CBADLP Cc1noc(C[NH2+][C@H](C)CNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001399119008 901667940 /nfs/dbraw/zinc/66/79/40/901667940.db2.gz PCPKOKIPJNKNNT-KOLCDFICSA-N 2 2 281.360 -0.076 20 0 CBADLP CNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001399112332 901669616 /nfs/dbraw/zinc/66/96/16/901669616.db2.gz JHLQYQBQQVGRAB-UWVGGRQHSA-N 2 2 281.360 -0.571 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)[NH2+][C@@H]1CCN(C)C1=O ZINC001399130855 901672065 /nfs/dbraw/zinc/67/20/65/901672065.db2.gz UQLOHUFQVJPTGU-GXSJLCMTSA-N 2 2 293.371 -0.414 20 0 CBADLP C[C@H](CCNC(=O)CCc1c[nH]c[nH+]1)[NH2+][C@H](C)C(N)=O ZINC001399348169 901703281 /nfs/dbraw/zinc/70/32/81/901703281.db2.gz ZUGDOCWMBSXANZ-NXEZZACHSA-N 2 2 281.360 -0.300 20 0 CBADLP C[C@H](CCNC(=O)CCc1c[nH+]c[nH]1)[NH2+][C@H](C)C(N)=O ZINC001399348169 901703290 /nfs/dbraw/zinc/70/32/90/901703290.db2.gz ZUGDOCWMBSXANZ-NXEZZACHSA-N 2 2 281.360 -0.300 20 0 CBADLP C[C@@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1cn(C)nn1 ZINC001399424565 901711899 /nfs/dbraw/zinc/71/18/99/901711899.db2.gz BRUVDBUIKYDCCC-NSHDSACASA-N 2 2 291.359 -0.304 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCC[C@@H](C)[NH2+][C@@H]1CCNC1=O ZINC001399418136 901712991 /nfs/dbraw/zinc/71/29/91/901712991.db2.gz MPPKRBOPSULDHN-MWLCHTKSSA-N 2 2 293.371 -0.366 20 0 CBADLP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)CC(N)=O ZINC001399483242 901734234 /nfs/dbraw/zinc/73/42/34/901734234.db2.gz DEMWTQGGOFEKQR-LLVKDONJSA-N 2 2 270.377 -0.606 20 0 CBADLP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@H+](C)CC(N)=O ZINC001399483242 901734245 /nfs/dbraw/zinc/73/42/45/901734245.db2.gz DEMWTQGGOFEKQR-LLVKDONJSA-N 2 2 270.377 -0.606 20 0 CBADLP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@@H+](C)CC(N)=O ZINC001399483242 901734254 /nfs/dbraw/zinc/73/42/54/901734254.db2.gz DEMWTQGGOFEKQR-LLVKDONJSA-N 2 2 270.377 -0.606 20 0 CBADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)CC(N)=O ZINC001399483242 901734222 /nfs/dbraw/zinc/73/42/22/901734222.db2.gz DEMWTQGGOFEKQR-LLVKDONJSA-N 2 2 270.377 -0.606 20 0 CBADLP CCN(C)C(=O)C[N@H+](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001399639796 901761338 /nfs/dbraw/zinc/76/13/38/901761338.db2.gz KPTGNXFJCXTRQE-UHFFFAOYSA-N 2 2 296.415 -0.392 20 0 CBADLP CCN(C)C(=O)C[N@@H+](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001399639796 901761346 /nfs/dbraw/zinc/76/13/46/901761346.db2.gz KPTGNXFJCXTRQE-UHFFFAOYSA-N 2 2 296.415 -0.392 20 0 CBADLP CC[N@H+](CCNC(=O)CCn1cc[nH+]c1)[C@@H](C)C(=O)NC ZINC001399733522 901785309 /nfs/dbraw/zinc/78/53/09/901785309.db2.gz FXQAQQSAHWLRMC-LBPRGKRZSA-N 2 2 295.387 -0.154 20 0 CBADLP CC[N@@H+](CCNC(=O)CCn1cc[nH+]c1)[C@@H](C)C(=O)NC ZINC001399733522 901785322 /nfs/dbraw/zinc/78/53/22/901785322.db2.gz FXQAQQSAHWLRMC-LBPRGKRZSA-N 2 2 295.387 -0.154 20 0 CBADLP CC[N@H+](CCNC(=O)CCc1c[nH+]cn1C)[C@H](C)C(N)=O ZINC001399804757 901807599 /nfs/dbraw/zinc/80/75/99/901807599.db2.gz GWUOOTMYLGYKHX-LLVKDONJSA-N 2 2 295.387 -0.335 20 0 CBADLP CC[N@@H+](CCNC(=O)CCc1c[nH+]cn1C)[C@H](C)C(N)=O ZINC001399804757 901807622 /nfs/dbraw/zinc/80/76/22/901807622.db2.gz GWUOOTMYLGYKHX-LLVKDONJSA-N 2 2 295.387 -0.335 20 0 CBADLP CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001399889172 901824922 /nfs/dbraw/zinc/82/49/22/901824922.db2.gz CURVUGAANQEDPF-CYBMUJFWSA-N 2 2 296.415 -0.201 20 0 CBADLP CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001399889172 901824930 /nfs/dbraw/zinc/82/49/30/901824930.db2.gz CURVUGAANQEDPF-CYBMUJFWSA-N 2 2 296.415 -0.201 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC[C@H]1CCC[N@@H+]1CC(N)=O ZINC001399899330 901830330 /nfs/dbraw/zinc/83/03/30/901830330.db2.gz PUQJMWSYLVMQKM-LLVKDONJSA-N 2 2 279.344 -0.743 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC[C@H]1CCC[N@H+]1CC(N)=O ZINC001399899330 901830342 /nfs/dbraw/zinc/83/03/42/901830342.db2.gz PUQJMWSYLVMQKM-LLVKDONJSA-N 2 2 279.344 -0.743 20 0 CBADLP CCC[N@H+](C)CC(=O)N[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001400037471 901857268 /nfs/dbraw/zinc/85/72/68/901857268.db2.gz FOPPMAMXTRILRW-GFCCVEGCSA-N 2 2 295.387 -0.154 20 0 CBADLP CCC[N@@H+](C)CC(=O)N[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001400037471 901857276 /nfs/dbraw/zinc/85/72/76/901857276.db2.gz FOPPMAMXTRILRW-GFCCVEGCSA-N 2 2 295.387 -0.154 20 0 CBADLP CN(CC[NH2+][C@H]1CCN(C)C1=O)C(=O)CCn1cc[nH+]c1 ZINC001400057683 901867006 /nfs/dbraw/zinc/86/70/06/901867006.db2.gz QXXUBDDFPWWGBV-LBPRGKRZSA-N 2 2 293.371 -0.448 20 0 CBADLP CN(CC[NH2+][C@H]1CCCNC1=O)C(=O)Cc1[nH]cc[nH+]1 ZINC001400066724 901869774 /nfs/dbraw/zinc/86/97/74/901869774.db2.gz PPFAOERGFQDZLV-JTQLQIEISA-N 2 2 279.344 -0.721 20 0 CBADLP CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001400299023 901912268 /nfs/dbraw/zinc/91/22/68/901912268.db2.gz AFJSPHYGCPQLIN-GFCCVEGCSA-N 2 2 284.404 -0.347 20 0 CBADLP CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001400299023 901912277 /nfs/dbraw/zinc/91/22/77/901912277.db2.gz AFJSPHYGCPQLIN-GFCCVEGCSA-N 2 2 284.404 -0.347 20 0 CBADLP CNC(=O)C[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001400299023 901912281 /nfs/dbraw/zinc/91/22/81/901912281.db2.gz AFJSPHYGCPQLIN-GFCCVEGCSA-N 2 2 284.404 -0.347 20 0 CBADLP CNC(=O)C[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001400299023 901912290 /nfs/dbraw/zinc/91/22/90/901912290.db2.gz AFJSPHYGCPQLIN-GFCCVEGCSA-N 2 2 284.404 -0.347 20 0 CBADLP COC[C@H](O)C[NH+]1CC(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001400445268 901940999 /nfs/dbraw/zinc/94/09/99/901940999.db2.gz JCHIGPXYCNMUNQ-CQSZACIVSA-N 2 2 299.415 -0.330 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CC(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001400534715 901965554 /nfs/dbraw/zinc/96/55/54/901965554.db2.gz XVOAMLXOXXCHIX-SNVBAGLBSA-N 2 2 282.388 -0.750 20 0 CBADLP CN1CC[C@@H]([NH+]2CC(CNC(=O)C[NH+]3CCCC3)C2)C1=O ZINC001400560083 901966853 /nfs/dbraw/zinc/96/68/53/901966853.db2.gz HOCKCHHBQHJQKK-CYBMUJFWSA-N 2 2 294.399 -0.639 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)CC ZINC001400578067 901971162 /nfs/dbraw/zinc/97/11/62/901971162.db2.gz IMZZAPQSNZUQEU-AVGNSLFASA-N 2 2 296.415 -0.123 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)CC ZINC001400578067 901971169 /nfs/dbraw/zinc/97/11/69/901971169.db2.gz IMZZAPQSNZUQEU-AVGNSLFASA-N 2 2 296.415 -0.123 20 0 CBADLP CC[C@@H](C(N)=O)[NH+]1C[C@@H]2C[C@H]1CN2C(=O)CC[N@H+](C)CC ZINC001400578067 901971178 /nfs/dbraw/zinc/97/11/78/901971178.db2.gz IMZZAPQSNZUQEU-AVGNSLFASA-N 2 2 296.415 -0.123 20 0 CBADLP CC[C@@H](C(N)=O)[NH+]1C[C@@H]2C[C@H]1CN2C(=O)CC[N@@H+](C)CC ZINC001400578067 901971189 /nfs/dbraw/zinc/97/11/89/901971189.db2.gz IMZZAPQSNZUQEU-AVGNSLFASA-N 2 2 296.415 -0.123 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)C2([NH+](C)C)CCC2)C1 ZINC001400709193 901999147 /nfs/dbraw/zinc/99/91/47/901999147.db2.gz KVUDYIVMVIRPHN-VXGBXAGGSA-N 2 2 296.415 -0.123 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)C2([NH+](C)C)CCC2)C1 ZINC001400709193 901999154 /nfs/dbraw/zinc/99/91/54/901999154.db2.gz KVUDYIVMVIRPHN-VXGBXAGGSA-N 2 2 296.415 -0.123 20 0 CBADLP CCN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@H+](CC(=O)NC)C1 ZINC001400767394 902009286 /nfs/dbraw/zinc/00/92/86/902009286.db2.gz ZCDFUZJPRZRKND-ZDUSSCGKSA-N 2 2 296.415 -0.249 20 0 CBADLP CCN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001400767394 902009298 /nfs/dbraw/zinc/00/92/98/902009298.db2.gz ZCDFUZJPRZRKND-ZDUSSCGKSA-N 2 2 296.415 -0.249 20 0 CBADLP CN(C(=O)Cc1c[nH+]c[nH]1)C1CN(C(=O)CC[NH+](C)C)C1 ZINC001400808554 902021201 /nfs/dbraw/zinc/02/12/01/902021201.db2.gz PMMQZRUVDDJUNK-UHFFFAOYSA-N 2 2 293.371 -0.427 20 0 CBADLP CC[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+][C@@H](C)C(=O)NC ZINC001400810979 902022759 /nfs/dbraw/zinc/02/27/59/902022759.db2.gz YUVDPEZTVISOTJ-QWRGUYRKSA-N 2 2 295.387 -0.039 20 0 CBADLP CC[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH2+][C@@H](C)C(=O)NC ZINC001400810979 902022773 /nfs/dbraw/zinc/02/27/73/902022773.db2.gz YUVDPEZTVISOTJ-QWRGUYRKSA-N 2 2 295.387 -0.039 20 0 CBADLP C[C@@H]([NH2+]C[C@@](C)(NC(=O)Cn1cc[nH+]c1)C1CC1)C(N)=O ZINC001401027478 902043765 /nfs/dbraw/zinc/04/37/65/902043765.db2.gz YPERLQNQIOSHCM-QMTHXVAHSA-N 2 2 293.371 -0.369 20 0 CBADLP CC(C)[C@H](C(=O)NC[C@@H]1C[N@H+](CCO)CCO1)[NH+](C)C ZINC001401157807 902067464 /nfs/dbraw/zinc/06/74/64/902067464.db2.gz AUKUUEWLNOMZJN-CHWSQXEVSA-N 2 2 287.404 -0.618 20 0 CBADLP CC(C)[C@H](C(=O)NC[C@@H]1C[N@@H+](CCO)CCO1)[NH+](C)C ZINC001401157807 902067469 /nfs/dbraw/zinc/06/74/69/902067469.db2.gz AUKUUEWLNOMZJN-CHWSQXEVSA-N 2 2 287.404 -0.618 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001401164757 902070448 /nfs/dbraw/zinc/07/04/48/902070448.db2.gz RUIHPRJCIZFMLU-GFCCVEGCSA-N 2 2 282.344 -0.999 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001401164757 902070464 /nfs/dbraw/zinc/07/04/64/902070464.db2.gz RUIHPRJCIZFMLU-GFCCVEGCSA-N 2 2 282.344 -0.999 20 0 CBADLP CC[C@H]([NH2+]C[C@H](C)N(C)C(=O)CCn1cc[nH+]c1)C(N)=O ZINC001401234680 902086843 /nfs/dbraw/zinc/08/68/43/902086843.db2.gz QRRGFVDDBJXULY-RYUDHWBXSA-N 2 2 295.387 -0.026 20 0 CBADLP CC(C)[C@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+][C@H]1CCNC1=O ZINC001401351476 902105186 /nfs/dbraw/zinc/10/51/86/902105186.db2.gz HNKINVCNQOTIIB-STQMWFEESA-N 2 2 298.431 -0.055 20 0 CBADLP CC(C)[C@H](CNC(=O)C[N@@H+](C)C(C)C)[NH2+][C@H]1CCNC1=O ZINC001401351476 902105191 /nfs/dbraw/zinc/10/51/91/902105191.db2.gz HNKINVCNQOTIIB-STQMWFEESA-N 2 2 298.431 -0.055 20 0 CBADLP CC(C)[C@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+][C@@H]1CCNC1=O ZINC001401351468 902105819 /nfs/dbraw/zinc/10/58/19/902105819.db2.gz HNKINVCNQOTIIB-OLZOCXBDSA-N 2 2 298.431 -0.055 20 0 CBADLP CC(C)[C@H](CNC(=O)C[N@@H+](C)C(C)C)[NH2+][C@@H]1CCNC1=O ZINC001401351468 902105834 /nfs/dbraw/zinc/10/58/34/902105834.db2.gz HNKINVCNQOTIIB-OLZOCXBDSA-N 2 2 298.431 -0.055 20 0 CBADLP Cc1cn(C(C)(C)C(=O)NC[C@@H](O)C[NH2+]C[C@@H](C)O)c[nH+]1 ZINC001401548713 902162223 /nfs/dbraw/zinc/16/22/23/902162223.db2.gz YWMFEUZJGDSGLA-NEPJUHHUSA-N 2 2 298.387 -0.626 20 0 CBADLP Cc1nnc([C@@H](C)[NH2+]C[C@@H](O)CNC(=O)CC[NH+](C)C)o1 ZINC001401558188 902165868 /nfs/dbraw/zinc/16/58/68/902165868.db2.gz PUAUWGDIFNQJRC-MWLCHTKSSA-N 2 2 299.375 -0.543 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC[C@H](O)C[NH2+]Cc1ccon1 ZINC001401565188 902169894 /nfs/dbraw/zinc/16/98/94/902169894.db2.gz LFNLXAPIVSUBRU-GFCCVEGCSA-N 2 2 293.327 -0.554 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)CC[NH2+][C@H]1CCNC1=O ZINC001401598835 902181280 /nfs/dbraw/zinc/18/12/80/902181280.db2.gz HJTPRVDXBHRSQU-KOLCDFICSA-N 2 2 293.371 -0.366 20 0 CBADLP Cc1noc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001401671997 902220008 /nfs/dbraw/zinc/22/00/08/902220008.db2.gz VGKJQRLHPQNBLR-KOLCDFICSA-N 2 2 281.360 -0.076 20 0 CBADLP Cc1noc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001401671997 902220021 /nfs/dbraw/zinc/22/00/21/902220021.db2.gz VGKJQRLHPQNBLR-KOLCDFICSA-N 2 2 281.360 -0.076 20 0 CBADLP CNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001401689828 902229606 /nfs/dbraw/zinc/22/96/06/902229606.db2.gz LJPHEYCLYLBFPU-QWRGUYRKSA-N 2 2 293.371 -0.714 20 0 CBADLP C[C@@H](C[NH2+]CC(=O)N1CCC1)NC(=O)CCn1cc[nH+]c1 ZINC001401698112 902236296 /nfs/dbraw/zinc/23/62/96/902236296.db2.gz DJUCWBPTTHBFFN-LBPRGKRZSA-N 2 2 293.371 -0.400 20 0 CBADLP C[C@@H](C[NH2+][C@H]1CCCNC1=O)NC(=O)Cc1c[nH+]cn1C ZINC001401718531 902242317 /nfs/dbraw/zinc/24/23/17/902242317.db2.gz QKYUKASLINTQMD-JQWIXIFHSA-N 2 2 293.371 -0.665 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C[NH2+]Cc1cnnn1C ZINC001401716383 902245116 /nfs/dbraw/zinc/24/51/16/902245116.db2.gz GQBMLTKQFKCZLX-VIFPVBQESA-N 2 2 291.359 -0.316 20 0 CBADLP C[C@@H]([NH2+]C[C@H](C)NC(=O)CCCn1cc[nH+]c1)C(N)=O ZINC001401721584 902245590 /nfs/dbraw/zinc/24/55/90/902245590.db2.gz PTIXSUMGJKXHRS-WDEREUQCSA-N 2 2 281.360 -0.369 20 0 CBADLP C[C@H](C[N@H+](C)CCO)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001401762203 902266945 /nfs/dbraw/zinc/26/69/45/902266945.db2.gz NQVZOADYBFICRN-NEPJUHHUSA-N 2 2 280.372 -0.126 20 0 CBADLP C[C@H](C[N@@H+](C)CCO)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001401762203 902266960 /nfs/dbraw/zinc/26/69/60/902266960.db2.gz NQVZOADYBFICRN-NEPJUHHUSA-N 2 2 280.372 -0.126 20 0 CBADLP C[C@H](C[N@H+](C)[C@H]1CCNC1=O)NC(=O)Cc1c[nH+]cn1C ZINC001401795150 902276942 /nfs/dbraw/zinc/27/69/42/902276942.db2.gz FWDVQVMMINDHFD-PWSUYJOCSA-N 2 2 293.371 -0.712 20 0 CBADLP C[C@H](C[N@@H+](C)[C@H]1CCNC1=O)NC(=O)Cc1c[nH+]cn1C ZINC001401795150 902276956 /nfs/dbraw/zinc/27/69/56/902276956.db2.gz FWDVQVMMINDHFD-PWSUYJOCSA-N 2 2 293.371 -0.712 20 0 CBADLP C[C@@H](C[N@H+](C)[C@@H]1CCNC1=O)NC(=O)Cc1c[nH+]cn1C ZINC001401795130 902277523 /nfs/dbraw/zinc/27/75/23/902277523.db2.gz FWDVQVMMINDHFD-CMPLNLGQSA-N 2 2 293.371 -0.712 20 0 CBADLP C[C@@H](C[N@@H+](C)[C@@H]1CCNC1=O)NC(=O)Cc1c[nH+]cn1C ZINC001401795130 902277535 /nfs/dbraw/zinc/27/75/35/902277535.db2.gz FWDVQVMMINDHFD-CMPLNLGQSA-N 2 2 293.371 -0.712 20 0 CBADLP CCC[N@H+](C)CCC(=O)NC[C@@H]1CC[NH+]1[C@@H](C)C(N)=O ZINC001401944589 902321995 /nfs/dbraw/zinc/32/19/95/902321995.db2.gz ZYEXNKYDICUYMM-RYUDHWBXSA-N 2 2 284.404 -0.217 20 0 CBADLP CCC[N@@H+](C)CCC(=O)NC[C@@H]1CC[NH+]1[C@@H](C)C(N)=O ZINC001401944589 902322004 /nfs/dbraw/zinc/32/20/04/902322004.db2.gz ZYEXNKYDICUYMM-RYUDHWBXSA-N 2 2 284.404 -0.217 20 0 CBADLP CCC[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+]1[C@@H](C)C(N)=O ZINC001401944589 902322015 /nfs/dbraw/zinc/32/20/15/902322015.db2.gz ZYEXNKYDICUYMM-RYUDHWBXSA-N 2 2 284.404 -0.217 20 0 CBADLP CCC[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+]1[C@@H](C)C(N)=O ZINC001401944589 902322030 /nfs/dbraw/zinc/32/20/30/902322030.db2.gz ZYEXNKYDICUYMM-RYUDHWBXSA-N 2 2 284.404 -0.217 20 0 CBADLP COC[C@@H](O)C[NH2+]C1(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001401962101 902326896 /nfs/dbraw/zinc/32/68/96/902326896.db2.gz NSPNIPIBLGYSNF-NSHDSACASA-N 2 2 282.344 -0.802 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]C1(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001401987995 902330360 /nfs/dbraw/zinc/33/03/60/902330360.db2.gz WAPJVQZIHUWPSP-JTQLQIEISA-N 2 2 279.344 -0.744 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]Cc2nnnn2C)CC1 ZINC001401987786 902332387 /nfs/dbraw/zinc/33/23/87/902332387.db2.gz SBNTVCHWYDVCRJ-UHFFFAOYSA-N 2 2 295.391 -0.711 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NCC1([NH2+]Cc2nnnn2C)CC1 ZINC001401987786 902332400 /nfs/dbraw/zinc/33/24/00/902332400.db2.gz SBNTVCHWYDVCRJ-UHFFFAOYSA-N 2 2 295.391 -0.711 20 0 CBADLP COC[C@@H](O)C[NH+]1CC(N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001402035782 902341283 /nfs/dbraw/zinc/34/12/83/902341283.db2.gz HGESUHRPTZGAEN-ZDUSSCGKSA-N 2 2 297.399 -0.768 20 0 CBADLP C[C@H]([NH2+]C[C@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1)C(N)=O ZINC001402058121 902346995 /nfs/dbraw/zinc/34/69/95/902346995.db2.gz OCZMOMHKYLFHPU-VHSXEESVSA-N 2 2 279.344 -0.593 20 0 CBADLP CC(C)[NH+]1CC(O)(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001402376856 902439072 /nfs/dbraw/zinc/43/90/72/902439072.db2.gz BORYEVJGBNYOMC-ZDUSSCGKSA-N 2 2 299.415 -0.474 20 0 CBADLP CNC(=O)C[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C ZINC001402413484 902444808 /nfs/dbraw/zinc/44/48/08/902444808.db2.gz FSKLVKUBACYRBR-QWRGUYRKSA-N 2 2 293.371 -0.618 20 0 CBADLP C[C@@H]([NH2+]CC(N)=O)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001402418400 902446593 /nfs/dbraw/zinc/44/65/93/902446593.db2.gz VLVUUKAANSHANC-GHMZBOCLSA-N 2 2 279.344 -0.805 20 0 CBADLP COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001402446231 902452849 /nfs/dbraw/zinc/45/28/49/902452849.db2.gz SULXARZLVRCLND-QWHCGFSZSA-N 2 2 296.371 -0.529 20 0 CBADLP O=C(N[C@]1(CO)CCC[N@H+](CCF)C1)C12CC[NH+](CC1)C2 ZINC001402457374 902456600 /nfs/dbraw/zinc/45/66/00/902456600.db2.gz MRZIVLUVQWLWKV-OAHLLOKOSA-N 2 2 299.390 -0.005 20 0 CBADLP O=C(N[C@]1(CO)CCC[N@@H+](CCF)C1)C12CC[NH+](CC1)C2 ZINC001402457374 902456610 /nfs/dbraw/zinc/45/66/10/902456610.db2.gz MRZIVLUVQWLWKV-OAHLLOKOSA-N 2 2 299.390 -0.005 20 0 CBADLP C[C@@H]([NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1)C(=O)N(C)C ZINC001402468996 902461532 /nfs/dbraw/zinc/46/15/32/902461532.db2.gz UMPZUWYMQLAAKT-NEPJUHHUSA-N 2 2 293.371 -0.450 20 0 CBADLP C[C@@H](CCNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CC(=O)N1CCC1 ZINC001402851268 902540366 /nfs/dbraw/zinc/54/03/66/902540366.db2.gz YTRARNSXWXJBOT-NSHDSACASA-N 2 2 293.371 -0.331 20 0 CBADLP C[N@H+](CCCO)C[C@@H]1CCCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC001402904262 902556054 /nfs/dbraw/zinc/55/60/54/902556054.db2.gz MOJKKTNXHUTXSH-UONOGXRCSA-N 2 2 299.415 -0.378 20 0 CBADLP C[N@@H+](CCCO)C[C@@H]1CCCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC001402904262 902556065 /nfs/dbraw/zinc/55/60/65/902556065.db2.gz MOJKKTNXHUTXSH-UONOGXRCSA-N 2 2 299.415 -0.378 20 0 CBADLP C[NH+](CCCO)C[C@@H]1CCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001402904262 902556077 /nfs/dbraw/zinc/55/60/77/902556077.db2.gz MOJKKTNXHUTXSH-UONOGXRCSA-N 2 2 299.415 -0.378 20 0 CBADLP C[NH+](CCCO)C[C@@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001402904262 902556082 /nfs/dbraw/zinc/55/60/82/902556082.db2.gz MOJKKTNXHUTXSH-UONOGXRCSA-N 2 2 299.415 -0.378 20 0 CBADLP C[C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]CC(N)=O ZINC001402927972 902563796 /nfs/dbraw/zinc/56/37/96/902563796.db2.gz XCAAFGCAOHNIRY-QMMMGPOBSA-N 2 2 275.312 -0.244 20 0 CBADLP Cc1cn(C(C)(C)C(=O)NC[C@H](C)[NH2+][C@@H](C)C(N)=O)c[nH+]1 ZINC001402927998 902565570 /nfs/dbraw/zinc/56/55/70/902565570.db2.gz XGRPDUNZVNTVQR-ONGXEEELSA-N 2 2 295.387 -0.105 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]CC1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC001402942630 902569526 /nfs/dbraw/zinc/56/95/26/902569526.db2.gz CHQFSQZBEQSLMY-UNXYVOJBSA-N 2 2 293.371 -0.498 20 0 CBADLP C[C@H](CNC(=O)CCc1[nH+]ccn1C)[NH2+][C@@H]1CCNC1=O ZINC001402962820 902575775 /nfs/dbraw/zinc/57/57/75/902575775.db2.gz VOOIPBRANPZQQB-GHMZBOCLSA-N 2 2 293.371 -0.665 20 0 CBADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@@H](C)C(=O)N(C)C ZINC001403051571 902602444 /nfs/dbraw/zinc/60/24/44/902602444.db2.gz GORGATVHESDFRK-UWVGGRQHSA-N 2 2 281.360 -0.477 20 0 CBADLP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1cnon1 ZINC001403083572 902609667 /nfs/dbraw/zinc/60/96/67/902609667.db2.gz LNSYJYRHTWXXGA-JTQLQIEISA-N 2 2 279.344 -0.240 20 0 CBADLP CC[C@H](C(N)=O)[N@H+](C)[C@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001403162443 902635061 /nfs/dbraw/zinc/63/50/61/902635061.db2.gz YMWWACZSTOQXHL-VXGBXAGGSA-N 2 2 295.387 -0.026 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+](C)[C@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001403162443 902635067 /nfs/dbraw/zinc/63/50/67/902635067.db2.gz YMWWACZSTOQXHL-VXGBXAGGSA-N 2 2 295.387 -0.026 20 0 CBADLP C[C@H](NC(=O)C[N@H+](C)C1CCC1)C1C[NH+](CC(N)=O)C1 ZINC001403309217 902665210 /nfs/dbraw/zinc/66/52/10/902665210.db2.gz WVZJKLNRLALZCI-JTQLQIEISA-N 2 2 282.388 -0.608 20 0 CBADLP C[C@H](NC(=O)C[N@@H+](C)C1CCC1)C1C[NH+](CC(N)=O)C1 ZINC001403309217 902665219 /nfs/dbraw/zinc/66/52/19/902665219.db2.gz WVZJKLNRLALZCI-JTQLQIEISA-N 2 2 282.388 -0.608 20 0 CBADLP C[C@H](NC(=O)CCc1c[nH+]cn1C)C1C[NH+](CCO)C1 ZINC001403340073 902671785 /nfs/dbraw/zinc/67/17/85/902671785.db2.gz XGTRQXVBLKNNRL-NSHDSACASA-N 2 2 280.372 -0.219 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N[C@H](C)C1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001403348243 902676790 /nfs/dbraw/zinc/67/67/90/902676790.db2.gz IPPCUZJHGHDZIN-MNOVXSKESA-N 2 2 284.404 -0.363 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001403348243 902676797 /nfs/dbraw/zinc/67/67/97/902676797.db2.gz IPPCUZJHGHDZIN-MNOVXSKESA-N 2 2 284.404 -0.363 20 0 CBADLP CCN(C)C(=O)C[NH2+][C@H](C)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001403437427 902689009 /nfs/dbraw/zinc/68/90/09/902689009.db2.gz KWHLZLRCPHITTE-LLVKDONJSA-N 2 2 295.387 -0.085 20 0 CBADLP CC[C@H]([NH2+][C@H](C)CCNC(=O)Cc1[nH]cc[nH+]1)C(N)=O ZINC001403459454 902695273 /nfs/dbraw/zinc/69/52/73/902695273.db2.gz KUVWPHKVXGNZPT-ZJUUUORDSA-N 2 2 281.360 -0.300 20 0 CBADLP CCN(C)C(=O)C[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001403503014 902702513 /nfs/dbraw/zinc/70/25/13/902702513.db2.gz AHJWFHPYOXBFDV-LBPRGKRZSA-N 2 2 284.404 -0.393 20 0 CBADLP CCN(C)C(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001403503014 902702525 /nfs/dbraw/zinc/70/25/25/902702525.db2.gz AHJWFHPYOXBFDV-LBPRGKRZSA-N 2 2 284.404 -0.393 20 0 CBADLP CCN(C)C(=O)C[NH+](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001403503014 902702536 /nfs/dbraw/zinc/70/25/36/902702536.db2.gz AHJWFHPYOXBFDV-LBPRGKRZSA-N 2 2 284.404 -0.393 20 0 CBADLP CCN(C)C(=O)C[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001403503014 902702544 /nfs/dbraw/zinc/70/25/44/902702544.db2.gz AHJWFHPYOXBFDV-LBPRGKRZSA-N 2 2 284.404 -0.393 20 0 CBADLP CNC(=O)C[N@@H+](C)CCNC(=O)C[NH+](C)C1CCC1 ZINC001403576437 902740141 /nfs/dbraw/zinc/74/01/41/902740141.db2.gz LYXKABYJZIQNJF-UHFFFAOYSA-N 2 2 270.377 -0.735 20 0 CBADLP CNC(=O)C[NH+](C)CCNC(=O)C[N@H+](C)C1CCC1 ZINC001403576437 902740152 /nfs/dbraw/zinc/74/01/52/902740152.db2.gz LYXKABYJZIQNJF-UHFFFAOYSA-N 2 2 270.377 -0.735 20 0 CBADLP CNC(=O)C[NH+](C)CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001403576437 902740168 /nfs/dbraw/zinc/74/01/68/902740168.db2.gz LYXKABYJZIQNJF-UHFFFAOYSA-N 2 2 270.377 -0.735 20 0 CBADLP C[C@@H](O)C[N@H+](C)CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001403612513 902753471 /nfs/dbraw/zinc/75/34/71/902753471.db2.gz KRXRBCVLQURNBJ-NEPJUHHUSA-N 2 2 280.372 -0.126 20 0 CBADLP C[C@@H](O)C[N@@H+](C)CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001403612513 902753477 /nfs/dbraw/zinc/75/34/77/902753477.db2.gz KRXRBCVLQURNBJ-NEPJUHHUSA-N 2 2 280.372 -0.126 20 0 CBADLP CCCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001403635051 902760940 /nfs/dbraw/zinc/76/09/40/902760940.db2.gz RKMSEFYZJWCONU-GFCCVEGCSA-N 2 2 295.387 -0.154 20 0 CBADLP C[C@@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+][C@H]1CCNC1=O ZINC001403632187 902762672 /nfs/dbraw/zinc/76/26/72/902762672.db2.gz OUMMWBOTEDDPHE-QWRGUYRKSA-N 2 2 279.344 -0.792 20 0 CBADLP O=C(NC[C@H](CO)[NH2+]CC1CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001403667335 902789169 /nfs/dbraw/zinc/78/91/69/902789169.db2.gz KLISXJALVDXFAN-IJLUTSLNSA-N 2 2 278.356 -0.010 20 0 CBADLP O=C(NC[C@H](CO)[NH2+]CC1CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001403667335 902789177 /nfs/dbraw/zinc/78/91/77/902789177.db2.gz KLISXJALVDXFAN-IJLUTSLNSA-N 2 2 278.356 -0.010 20 0 CBADLP Cc1cc(C[NH2+][C@@H](CO)CNC(=O)CC[NH+](C)C)no1 ZINC001403697805 902808507 /nfs/dbraw/zinc/80/85/07/902808507.db2.gz ISSJZVIQPLSUJO-GFCCVEGCSA-N 2 2 284.360 -0.499 20 0 CBADLP CC[NH2+][C@@H](CO)CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001403703993 902812713 /nfs/dbraw/zinc/81/27/13/902812713.db2.gz JGXSGVHSIKOPMY-TZMCWYRMSA-N 2 2 299.415 -0.284 20 0 CBADLP CC[NH2+][C@@H](CO)CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001403703993 902812723 /nfs/dbraw/zinc/81/27/23/902812723.db2.gz JGXSGVHSIKOPMY-TZMCWYRMSA-N 2 2 299.415 -0.284 20 0 CBADLP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH+](C)[C@H]1CCNC1=O ZINC001403782790 902849740 /nfs/dbraw/zinc/84/97/40/902849740.db2.gz CLUJQYLACGZVCM-STQMWFEESA-N 2 2 296.415 -0.203 20 0 CBADLP CC[N@H+]1CCCC[C@H]1C(=O)NCC[NH+](C)[C@H]1CCNC1=O ZINC001403782790 902849755 /nfs/dbraw/zinc/84/97/55/902849755.db2.gz CLUJQYLACGZVCM-STQMWFEESA-N 2 2 296.415 -0.203 20 0 CBADLP CC[NH+]1CCCC[C@H]1C(=O)NCC[N@H+](C)[C@H]1CCNC1=O ZINC001403782790 902849771 /nfs/dbraw/zinc/84/97/71/902849771.db2.gz CLUJQYLACGZVCM-STQMWFEESA-N 2 2 296.415 -0.203 20 0 CBADLP CC[NH+]1CCCC[C@H]1C(=O)NCC[N@@H+](C)[C@H]1CCNC1=O ZINC001403782790 902849785 /nfs/dbraw/zinc/84/97/85/902849785.db2.gz CLUJQYLACGZVCM-STQMWFEESA-N 2 2 296.415 -0.203 20 0 CBADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH+](C)[C@@H](C)C(N)=O ZINC001403793838 902853401 /nfs/dbraw/zinc/85/34/01/902853401.db2.gz TXLPPMWLHUKRGC-NWDGAFQWSA-N 2 2 284.404 -0.217 20 0 CBADLP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH+](C)[C@@H](C)C(N)=O ZINC001403793838 902853415 /nfs/dbraw/zinc/85/34/15/902853415.db2.gz TXLPPMWLHUKRGC-NWDGAFQWSA-N 2 2 284.404 -0.217 20 0 CBADLP CC[NH+]1CCCC[C@@H]1C(=O)NCC[N@H+](C)[C@@H](C)C(N)=O ZINC001403793838 902853427 /nfs/dbraw/zinc/85/34/27/902853427.db2.gz TXLPPMWLHUKRGC-NWDGAFQWSA-N 2 2 284.404 -0.217 20 0 CBADLP CC[NH+]1CCCC[C@@H]1C(=O)NCC[N@@H+](C)[C@@H](C)C(N)=O ZINC001403793838 902853439 /nfs/dbraw/zinc/85/34/39/902853439.db2.gz TXLPPMWLHUKRGC-NWDGAFQWSA-N 2 2 284.404 -0.217 20 0 CBADLP CN(C[C@H](O)C[NH2+]C[C@H]1CCOC1)C(=O)Cc1[nH]cc[nH+]1 ZINC001403870212 902883950 /nfs/dbraw/zinc/88/39/50/902883950.db2.gz INMXNFWUHCXMKG-VXGBXAGGSA-N 2 2 296.371 -0.602 20 0 CBADLP C[C@@H](O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001403893666 902898597 /nfs/dbraw/zinc/89/85/97/902898597.db2.gz ANTRXPFNNFGVKG-DGCLKSJQSA-N 2 2 298.387 -0.906 20 0 CBADLP C[C@@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001403893666 902898607 /nfs/dbraw/zinc/89/86/07/902898607.db2.gz ANTRXPFNNFGVKG-DGCLKSJQSA-N 2 2 298.387 -0.906 20 0 CBADLP CN(C[C@@H](O)C[N@H+](C)CCF)C(=O)Cc1c[nH+]cn1C ZINC001403911419 902901518 /nfs/dbraw/zinc/90/15/18/902901518.db2.gz RFUGDZJORPSVHE-LBPRGKRZSA-N 2 2 286.351 -0.317 20 0 CBADLP CN(C[C@@H](O)C[N@@H+](C)CCF)C(=O)Cc1c[nH+]cn1C ZINC001403911419 902901524 /nfs/dbraw/zinc/90/15/24/902901524.db2.gz RFUGDZJORPSVHE-LBPRGKRZSA-N 2 2 286.351 -0.317 20 0 CBADLP C[C@@H]([NH2+]CCN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1)C(N)=O ZINC001404306995 902967595 /nfs/dbraw/zinc/96/75/95/902967595.db2.gz AGNWHGCUUWJAJR-MNOVXSKESA-N 2 2 293.371 -0.633 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001404657725 903011991 /nfs/dbraw/zinc/01/19/91/903011991.db2.gz GNSGUWUFUCKYPB-NWDGAFQWSA-N 2 2 296.415 -0.075 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001404657725 903012006 /nfs/dbraw/zinc/01/20/06/903012006.db2.gz GNSGUWUFUCKYPB-NWDGAFQWSA-N 2 2 296.415 -0.075 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001404657725 903012025 /nfs/dbraw/zinc/01/20/25/903012025.db2.gz GNSGUWUFUCKYPB-NWDGAFQWSA-N 2 2 296.415 -0.075 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001404657725 903012040 /nfs/dbraw/zinc/01/20/40/903012040.db2.gz GNSGUWUFUCKYPB-NWDGAFQWSA-N 2 2 296.415 -0.075 20 0 CBADLP CC[C@H](C(=O)NCC1C[NH+]([C@@H](C)C(=O)NC)C1)[NH+](C)C ZINC001404887165 903049875 /nfs/dbraw/zinc/04/98/75/903049875.db2.gz UMGXUVFQIXZLGV-CMPLNLGQSA-N 2 2 284.404 -0.491 20 0 CBADLP C[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC(=O)N1CCC1 ZINC001404965973 903061933 /nfs/dbraw/zinc/06/19/33/903061933.db2.gz IELWKMWBQUVWLY-STQMWFEESA-N 2 2 294.399 -0.545 20 0 CBADLP C[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC(=O)N1CCC1 ZINC001404965973 903061944 /nfs/dbraw/zinc/06/19/44/903061944.db2.gz IELWKMWBQUVWLY-STQMWFEESA-N 2 2 294.399 -0.545 20 0 CBADLP CC[C@H](C(=O)N[C@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1)[NH+](C)C ZINC001404997705 903072007 /nfs/dbraw/zinc/07/20/07/903072007.db2.gz OAAXUDPXACKAHR-GARJFASQSA-N 2 2 270.377 -0.609 20 0 CBADLP CC[C@H](C(=O)N[C@H]1CC[N@H+]([C@@H](C)C(N)=O)C1)[NH+](C)C ZINC001404997705 903072015 /nfs/dbraw/zinc/07/20/15/903072015.db2.gz OAAXUDPXACKAHR-GARJFASQSA-N 2 2 270.377 -0.609 20 0 CBADLP CC[C@@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+][C@@H]1CCNC1=O ZINC001405328394 903147090 /nfs/dbraw/zinc/14/70/90/903147090.db2.gz BESNTRYCBFEYBB-CMPLNLGQSA-N 2 2 293.371 -0.665 20 0 CBADLP CC[C@@H](CNC(=O)Cc1[nH]c[nH+]c1C)[NH2+][C@H]1CCNC1=O ZINC001405353120 903154380 /nfs/dbraw/zinc/15/43/80/903154380.db2.gz PNQHRAIEXRMJFV-QWRGUYRKSA-N 2 2 293.371 -0.366 20 0 CBADLP CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001405360113 903154488 /nfs/dbraw/zinc/15/44/88/903154488.db2.gz VTXZSNPLAOZUAM-NSHDSACASA-N 2 2 295.387 -0.119 20 0 CBADLP CC[C@@H](CNC(=O)Cc1[nH]c[nH+]c1C)[NH2+][C@@H]1CCNC1=O ZINC001405353126 903155201 /nfs/dbraw/zinc/15/52/01/903155201.db2.gz PNQHRAIEXRMJFV-WDEREUQCSA-N 2 2 293.371 -0.366 20 0 CBADLP C[NH+](C)CCCC(=O)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001405731503 903207529 /nfs/dbraw/zinc/20/75/29/903207529.db2.gz RXFMLZLJJUYTSM-LBPRGKRZSA-N 2 2 273.377 -0.863 20 0 CBADLP C[NH+](C)CCCC(=O)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001405731503 903207516 /nfs/dbraw/zinc/20/75/16/903207516.db2.gz RXFMLZLJJUYTSM-LBPRGKRZSA-N 2 2 273.377 -0.863 20 0 CBADLP C[C@@H](C[NH2+][C@@H]1CCN(C)C1=O)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001405863623 903238087 /nfs/dbraw/zinc/23/80/87/903238087.db2.gz BSJJDAFOFVHARR-WDEREUQCSA-N 2 2 293.371 -0.381 20 0 CBADLP C[C@@H](C[NH2+][C@H]1CCN(C)C1=O)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001405863621 903238651 /nfs/dbraw/zinc/23/86/51/903238651.db2.gz BSJJDAFOFVHARR-QWRGUYRKSA-N 2 2 293.371 -0.381 20 0 CBADLP C[C@@H](C[NH2+]CC(=O)N1CCC1)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001405869158 903240470 /nfs/dbraw/zinc/24/04/70/903240470.db2.gz JTWXDKPHQWFABI-NSHDSACASA-N 2 2 293.371 -0.379 20 0 CBADLP CC[C@H]([NH2+]C[C@@H](C)N(C)C(=O)Cc1c[nH+]c[nH]1)C(N)=O ZINC001405876636 903242956 /nfs/dbraw/zinc/24/29/56/903242956.db2.gz RDICICJKXQRKSD-KOLCDFICSA-N 2 2 281.360 -0.347 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N(C)CC[N@H+](C)[C@@H]1CCNC1=O ZINC001406115414 903275459 /nfs/dbraw/zinc/27/54/59/903275459.db2.gz LLRQNZQTIDBVKX-GFCCVEGCSA-N 2 2 293.371 -0.530 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N(C)CC[N@@H+](C)[C@@H]1CCNC1=O ZINC001406115414 903275471 /nfs/dbraw/zinc/27/54/71/903275471.db2.gz LLRQNZQTIDBVKX-GFCCVEGCSA-N 2 2 293.371 -0.530 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001406185966 903288043 /nfs/dbraw/zinc/28/80/43/903288043.db2.gz KIEJPWXSKBLVPE-CMPLNLGQSA-N 2 2 293.371 -0.427 20 0 CBADLP Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CCC[N@H+]2C)o1 ZINC001406197768 903293182 /nfs/dbraw/zinc/29/31/82/903293182.db2.gz AINKUDFKAVVQPC-QWRGUYRKSA-N 2 2 297.359 -0.961 20 0 CBADLP Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CCC[N@@H+]2C)o1 ZINC001406197768 903293193 /nfs/dbraw/zinc/29/31/93/903293193.db2.gz AINKUDFKAVVQPC-QWRGUYRKSA-N 2 2 297.359 -0.961 20 0 CBADLP CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1nnc(C)[nH]1)[NH+](C)C ZINC001406278429 903339319 /nfs/dbraw/zinc/33/93/19/903339319.db2.gz ITVFBLXFWYYMCK-QWRGUYRKSA-N 2 2 298.391 -0.980 20 0 CBADLP C[C@H](C[NH2+]CC(=O)NC1CC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001406410751 903396826 /nfs/dbraw/zinc/39/68/26/903396826.db2.gz QOGHMNDXPSLDDQ-SECBINFHSA-N 2 2 279.344 -0.675 20 0 CBADLP CCN1CC[C@@H]([NH2+]C[C@@H](C)NC(=O)Cn2cc[nH+]c2)C1=O ZINC001406436340 903400316 /nfs/dbraw/zinc/40/03/16/903400316.db2.gz ZXFNCIVBDBBXIK-VXGBXAGGSA-N 2 2 293.371 -0.402 20 0 CBADLP Cc1nnc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)[nH]1 ZINC001406513441 903422619 /nfs/dbraw/zinc/42/26/19/903422619.db2.gz CNZJKQFRULQYEX-GXSJLCMTSA-N 2 2 280.376 -0.198 20 0 CBADLP Cc1nnc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CCC[N@H+]2C)[nH]1 ZINC001406513441 903422630 /nfs/dbraw/zinc/42/26/30/903422630.db2.gz CNZJKQFRULQYEX-GXSJLCMTSA-N 2 2 280.376 -0.198 20 0 CBADLP C[C@@H](C[N@H+](C)CC(N)=O)NC(=O)[C@H]1CCCC[NH+]1C ZINC001406614218 903446526 /nfs/dbraw/zinc/44/65/26/903446526.db2.gz HAHWFZKDQUPTIB-WDEREUQCSA-N 2 2 270.377 -0.608 20 0 CBADLP C[C@@H](C[N@@H+](C)CC(N)=O)NC(=O)[C@H]1CCCC[NH+]1C ZINC001406614218 903446537 /nfs/dbraw/zinc/44/65/37/903446537.db2.gz HAHWFZKDQUPTIB-WDEREUQCSA-N 2 2 270.377 -0.608 20 0 CBADLP C[C@@H](C[NH+](C)CC(N)=O)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001406614218 903446548 /nfs/dbraw/zinc/44/65/48/903446548.db2.gz HAHWFZKDQUPTIB-WDEREUQCSA-N 2 2 270.377 -0.608 20 0 CBADLP C[C@@H](C[NH+](C)CC(N)=O)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001406614218 903446556 /nfs/dbraw/zinc/44/65/56/903446556.db2.gz HAHWFZKDQUPTIB-WDEREUQCSA-N 2 2 270.377 -0.608 20 0 CBADLP CNC(=O)C[N@H+](C)C[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001406613009 903447688 /nfs/dbraw/zinc/44/76/88/903447688.db2.gz TXUVYXVFDXYBRI-LBPRGKRZSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001406613009 903447693 /nfs/dbraw/zinc/44/76/93/903447693.db2.gz TXUVYXVFDXYBRI-LBPRGKRZSA-N 2 2 296.415 -0.203 20 0 CBADLP CN1CC[C@H]([N@@H+]2CC[C@@H]2CNC(=O)CCC[NH+](C)C)C1=O ZINC001406861028 903494675 /nfs/dbraw/zinc/49/46/75/903494675.db2.gz NPZROHKWGHDMCQ-OLZOCXBDSA-N 2 2 296.415 -0.251 20 0 CBADLP CN1CC[C@H]([N@H+]2CC[C@@H]2CNC(=O)CCC[NH+](C)C)C1=O ZINC001406861028 903494681 /nfs/dbraw/zinc/49/46/81/903494681.db2.gz NPZROHKWGHDMCQ-OLZOCXBDSA-N 2 2 296.415 -0.251 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CC[NH+]1[C@@H]1CCN(C)C1=O ZINC001406895634 903501188 /nfs/dbraw/zinc/50/11/88/903501188.db2.gz FEWBBBOXNNRLKV-QWHCGFSZSA-N 2 2 296.415 -0.252 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CC[NH+]1[C@@H]1CCN(C)C1=O ZINC001406895634 903501198 /nfs/dbraw/zinc/50/11/98/903501198.db2.gz FEWBBBOXNNRLKV-QWHCGFSZSA-N 2 2 296.415 -0.252 20 0 CBADLP CC(C)[NH+](C)CC(=O)NC[C@@H]1CC[N@@H+]1[C@@H]1CCN(C)C1=O ZINC001406895634 903501204 /nfs/dbraw/zinc/50/12/04/903501204.db2.gz FEWBBBOXNNRLKV-QWHCGFSZSA-N 2 2 296.415 -0.252 20 0 CBADLP CC(C)[NH+](C)CC(=O)NC[C@@H]1CC[N@H+]1[C@@H]1CCN(C)C1=O ZINC001406895634 903501215 /nfs/dbraw/zinc/50/12/15/903501215.db2.gz FEWBBBOXNNRLKV-QWHCGFSZSA-N 2 2 296.415 -0.252 20 0 CBADLP O=C(NCC1([NH2+]Cc2cnon2)CC1)C12CC[NH+](CC1)C2 ZINC001406991700 903524097 /nfs/dbraw/zinc/52/40/97/903524097.db2.gz WLXAUZBIKWEIPH-UHFFFAOYSA-N 2 2 291.355 -0.096 20 0 CBADLP CCNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001407208572 903558353 /nfs/dbraw/zinc/55/83/53/903558353.db2.gz RCQBEEBHJSYFLE-DOMZBBRYSA-N 2 2 296.415 -0.203 20 0 CBADLP CCNC(=O)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001407208572 903558360 /nfs/dbraw/zinc/55/83/60/903558360.db2.gz RCQBEEBHJSYFLE-DOMZBBRYSA-N 2 2 296.415 -0.203 20 0 CBADLP CCNC(=O)C[NH+]1CC[C@](C)(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001407208572 903558368 /nfs/dbraw/zinc/55/83/68/903558368.db2.gz RCQBEEBHJSYFLE-DOMZBBRYSA-N 2 2 296.415 -0.203 20 0 CBADLP CCNC(=O)C[NH+]1CC[C@](C)(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001407208572 903558379 /nfs/dbraw/zinc/55/83/79/903558379.db2.gz RCQBEEBHJSYFLE-DOMZBBRYSA-N 2 2 296.415 -0.203 20 0 CBADLP COC[C@@H](C)[N@@H+]1CC[C@](O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001407349991 903574297 /nfs/dbraw/zinc/57/42/97/903574297.db2.gz JOZXAFVXMXWBCH-RISCZKNCSA-N 2 2 296.371 -0.460 20 0 CBADLP COC[C@@H](C)[N@H+]1CC[C@](O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001407349991 903574307 /nfs/dbraw/zinc/57/43/07/903574307.db2.gz JOZXAFVXMXWBCH-RISCZKNCSA-N 2 2 296.371 -0.460 20 0 CBADLP C[C@@H](O)CCC[NH+]1CC(O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001407474596 903614789 /nfs/dbraw/zinc/61/47/89/903614789.db2.gz VIHNVKBEZYVNKW-CYBMUJFWSA-N 2 2 299.415 -0.594 20 0 CBADLP CN(CCNC(=O)CC[NH+](C)C)C(=O)Cn1cc[nH+]c1 ZINC001408678930 903803527 /nfs/dbraw/zinc/80/35/27/903803527.db2.gz NAOJBRFBPNMBON-UHFFFAOYSA-N 2 2 281.360 -0.591 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NC1CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001409063862 903845076 /nfs/dbraw/zinc/84/50/76/903845076.db2.gz OZVPTSNZRYSJCO-UHFFFAOYSA-N 2 2 293.371 -0.381 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NC1CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001409063862 903845093 /nfs/dbraw/zinc/84/50/93/903845093.db2.gz OZVPTSNZRYSJCO-UHFFFAOYSA-N 2 2 293.371 -0.381 20 0 CBADLP COC[C@]1(CO)CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC001460108070 914760124 /nfs/dbraw/zinc/76/01/24/914760124.db2.gz GTOJJFHRQJQFHC-ZIAGYGMSSA-N 2 2 272.389 -0.228 20 0 CBADLP COC[C@]1(CO)CC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC001460108070 914760080 /nfs/dbraw/zinc/76/00/80/914760080.db2.gz GTOJJFHRQJQFHC-ZIAGYGMSSA-N 2 2 272.389 -0.228 20 0 CBADLP COC[C@]1(CO)CC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC001460108070 914760096 /nfs/dbraw/zinc/76/00/96/914760096.db2.gz GTOJJFHRQJQFHC-ZIAGYGMSSA-N 2 2 272.389 -0.228 20 0 CBADLP COC[C@]1(CO)CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC001460108070 914760110 /nfs/dbraw/zinc/76/01/10/914760110.db2.gz GTOJJFHRQJQFHC-ZIAGYGMSSA-N 2 2 272.389 -0.228 20 0 CBADLP CCN(C)C(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001409449891 903904466 /nfs/dbraw/zinc/90/44/66/903904466.db2.gz DOTHYMBCCWVNOE-RYUDHWBXSA-N 2 2 295.387 -0.156 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC[C@@H](C)[N@H+](C)[C@H](C)C(N)=O ZINC001409676535 903954583 /nfs/dbraw/zinc/95/45/83/903954583.db2.gz HZBMPQMCLSFBBN-NXEZZACHSA-N 2 2 281.360 -0.498 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC[C@@H](C)[N@@H+](C)[C@H](C)C(N)=O ZINC001409676535 903954595 /nfs/dbraw/zinc/95/45/95/903954595.db2.gz HZBMPQMCLSFBBN-NXEZZACHSA-N 2 2 281.360 -0.498 20 0 CBADLP CCC[N@H+](C)CC(=O)N[C@H](C)C1C[NH+](CC(=O)NC)C1 ZINC001409970979 903988649 /nfs/dbraw/zinc/98/86/49/903988649.db2.gz SFHUDMHQPRCUDD-LLVKDONJSA-N 2 2 284.404 -0.489 20 0 CBADLP CCC[N@@H+](C)CC(=O)N[C@H](C)C1C[NH+](CC(=O)NC)C1 ZINC001409970979 903988658 /nfs/dbraw/zinc/98/86/58/903988658.db2.gz SFHUDMHQPRCUDD-LLVKDONJSA-N 2 2 284.404 -0.489 20 0 CBADLP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NC(=O)Cn1cc[nH+]c1 ZINC001410234525 904049952 /nfs/dbraw/zinc/04/99/52/904049952.db2.gz OHTWHIWFYPKNCX-NEPJUHHUSA-N 2 2 293.371 -0.544 20 0 CBADLP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)Cn1cc[nH+]c1 ZINC001410234525 904049962 /nfs/dbraw/zinc/04/99/62/904049962.db2.gz OHTWHIWFYPKNCX-NEPJUHHUSA-N 2 2 293.371 -0.544 20 0 CBADLP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001410296883 904061322 /nfs/dbraw/zinc/06/13/22/904061322.db2.gz LUCIAHXASZAWAV-ZYHUDNBSSA-N 2 2 293.371 -0.333 20 0 CBADLP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001410296883 904061336 /nfs/dbraw/zinc/06/13/36/904061336.db2.gz LUCIAHXASZAWAV-ZYHUDNBSSA-N 2 2 293.371 -0.333 20 0 CBADLP CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)CCn1cc[nH+]c1 ZINC001410419017 904095341 /nfs/dbraw/zinc/09/53/41/904095341.db2.gz IPHIJYQGFGDYJE-GFCCVEGCSA-N 2 2 295.387 -0.154 20 0 CBADLP C[C@H](CN(C)C(=O)CCn1cc[nH+]c1)[NH2+][C@H]1CCNC1=O ZINC001410420676 904095632 /nfs/dbraw/zinc/09/56/32/904095632.db2.gz JORUUSRWEFOFQP-NEPJUHHUSA-N 2 2 293.371 -0.402 20 0 CBADLP CNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)CCCn1cc[nH+]c1 ZINC001410531671 904115542 /nfs/dbraw/zinc/11/55/42/904115542.db2.gz KUIVBQLDTTYZDD-LBPRGKRZSA-N 2 2 295.387 -0.154 20 0 CBADLP CO[C@H](C)C[NH2+][C@@H](CO)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001410720520 904171208 /nfs/dbraw/zinc/17/12/08/904171208.db2.gz HELUZVVLWVDGDL-MWLCHTKSSA-N 2 2 270.333 -0.946 20 0 CBADLP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H](CO)[NH2+]Cc2ccon2)C1 ZINC001410755560 904175836 /nfs/dbraw/zinc/17/58/36/904175836.db2.gz PPQCSXKNHYGBDR-AAEUAGOBSA-N 2 2 296.371 -0.417 20 0 CBADLP C[N@H+]1CC[C@@H](CC(=O)NC[C@@H](CO)[NH2+]Cc2ccon2)C1 ZINC001410755560 904175842 /nfs/dbraw/zinc/17/58/42/904175842.db2.gz PPQCSXKNHYGBDR-AAEUAGOBSA-N 2 2 296.371 -0.417 20 0 CBADLP NC(=O)C[NH2+]C[C@H]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001410948280 904210747 /nfs/dbraw/zinc/21/07/47/904210747.db2.gz UETWDEYQDNFEKK-VHSXEESVSA-N 2 2 279.344 -0.688 20 0 CBADLP COC(=O)Cn1cc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)nn1 ZINC001413204742 904957264 /nfs/dbraw/zinc/95/72/64/904957264.db2.gz QBCPCHSTAOPCJG-JTQLQIEISA-N 2 2 290.327 -0.248 20 0 CBADLP COC(=O)Cn1cc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)nn1 ZINC001413204757 904957826 /nfs/dbraw/zinc/95/78/26/904957826.db2.gz QBCPCHSTAOPCJG-SNVBAGLBSA-N 2 2 290.327 -0.248 20 0 CBADLP C[C@@H](CNS(=O)(=O)N1CC[NH+](C)CC1)[NH+]1CCCC1 ZINC001413275877 904990835 /nfs/dbraw/zinc/99/08/35/904990835.db2.gz IPYCSLMFBQOKQZ-LBPRGKRZSA-N 2 2 290.433 -0.448 20 0 CBADLP C[C@@H](CNC(=O)CCC[NH+](C)C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001415254642 905590657 /nfs/dbraw/zinc/59/06/57/905590657.db2.gz JECBIQIVDJMYGW-NSHDSACASA-N 2 2 295.387 -0.085 20 0 CBADLP C[C@H](CNC(=O)CCC[NH+](C)C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001415254641 905591512 /nfs/dbraw/zinc/59/15/12/905591512.db2.gz JECBIQIVDJMYGW-LLVKDONJSA-N 2 2 295.387 -0.085 20 0 CBADLP C[C@@H](CC(N)=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC001417636567 905945980 /nfs/dbraw/zinc/94/59/80/905945980.db2.gz LCQSRRGQWMRGFM-LBPRGKRZSA-N 2 2 298.431 -0.018 20 0 CBADLP C[C@@H](CC(N)=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC001417636567 905945994 /nfs/dbraw/zinc/94/59/94/905945994.db2.gz LCQSRRGQWMRGFM-LBPRGKRZSA-N 2 2 298.431 -0.018 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N1CC(C[NH+]2CCN(C)CC2)C1 ZINC001417880110 906088362 /nfs/dbraw/zinc/08/83/62/906088362.db2.gz XDUUKOGSWRRTQZ-UHFFFAOYSA-N 2 2 291.399 -0.103 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N1CC(CN2CC[NH+](C)CC2)C1 ZINC001417880110 906088375 /nfs/dbraw/zinc/08/83/75/906088375.db2.gz XDUUKOGSWRRTQZ-UHFFFAOYSA-N 2 2 291.399 -0.103 20 0 CBADLP C[N@@H+](CC(N)=O)C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001418021362 906138399 /nfs/dbraw/zinc/13/83/99/906138399.db2.gz LIYXUZNENLCVLF-GFCCVEGCSA-N 2 2 293.371 -0.461 20 0 CBADLP C[N@H+](CC(N)=O)C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001418021362 906138410 /nfs/dbraw/zinc/13/84/10/906138410.db2.gz LIYXUZNENLCVLF-GFCCVEGCSA-N 2 2 293.371 -0.461 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001418046261 906145419 /nfs/dbraw/zinc/14/54/19/906145419.db2.gz LJQVQHFHTIBXMV-MNOVXSKESA-N 2 2 293.371 -0.712 20 0 CBADLP CC(C)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001418078597 906158220 /nfs/dbraw/zinc/15/82/20/906158220.db2.gz RTLMCNGKUORPLB-HAQNSBGRSA-N 2 2 293.371 -0.356 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001418111318 906171771 /nfs/dbraw/zinc/17/17/71/906171771.db2.gz MANYUBAJHULQBI-GARJFASQSA-N 2 2 279.344 -0.746 20 0 CBADLP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C1)C(=O)N(C)C ZINC001418110411 906172969 /nfs/dbraw/zinc/17/29/69/906172969.db2.gz CRGSARIERVUEBY-SDDRHHMPSA-N 2 2 293.371 -0.403 20 0 CBADLP CNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001418142984 906179723 /nfs/dbraw/zinc/17/97/23/906179723.db2.gz HUXXECFGWAXENT-LLVKDONJSA-N 2 2 293.371 -0.474 20 0 CBADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]Cc1cnn(C)c1 ZINC001418288343 906257369 /nfs/dbraw/zinc/25/73/69/906257369.db2.gz ZWGLUJFOUAAVEH-SNVBAGLBSA-N 2 2 276.344 -0.020 20 0 CBADLP COC[C@@H](O)C[NH2+][C@@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001418300828 906269532 /nfs/dbraw/zinc/26/95/32/906269532.db2.gz JUZYAHFNTWDPAS-JQWIXIFHSA-N 2 2 284.360 -0.936 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc2cnon2)C1 ZINC001418316723 906278185 /nfs/dbraw/zinc/27/81/85/906278185.db2.gz XDSCOXFSLSDZMV-ZYHUDNBSSA-N 2 2 297.359 -0.615 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc2cnon2)C1 ZINC001418316723 906278204 /nfs/dbraw/zinc/27/82/04/906278204.db2.gz XDSCOXFSLSDZMV-ZYHUDNBSSA-N 2 2 297.359 -0.615 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](C)[NH2+]Cc2cnon2)C1 ZINC001418316719 906279466 /nfs/dbraw/zinc/27/94/66/906279466.db2.gz XDSCOXFSLSDZMV-JQWIXIFHSA-N 2 2 297.359 -0.615 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@H](C)[NH2+]Cc2cnon2)C1 ZINC001418316719 906279480 /nfs/dbraw/zinc/27/94/80/906279480.db2.gz XDSCOXFSLSDZMV-JQWIXIFHSA-N 2 2 297.359 -0.615 20 0 CBADLP C[C@@H](CCNC(=O)Cc1c[nH]c[nH+]1)[NH2+]Cc1cnnn1C ZINC001418419038 906314136 /nfs/dbraw/zinc/31/41/36/906314136.db2.gz MZMWJPWNTKYADY-JTQLQIEISA-N 2 2 291.359 -0.235 20 0 CBADLP CCNC(=O)C[NH2+][C@H](C)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001418418127 906314510 /nfs/dbraw/zinc/31/45/10/906314510.db2.gz MAWHFNWHJGDPAV-SNVBAGLBSA-N 2 2 281.360 -0.427 20 0 CBADLP C[C@H](CCNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@H](C)C(=O)N(C)C ZINC001418432374 906319842 /nfs/dbraw/zinc/31/98/42/906319842.db2.gz XCEJUNBBQYTMLV-GHMZBOCLSA-N 2 2 295.387 -0.087 20 0 CBADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)CC(=O)N(C)C ZINC001418460582 906345198 /nfs/dbraw/zinc/34/51/98/906345198.db2.gz FDMAKYSONYOELG-CYBMUJFWSA-N 2 2 298.431 -0.005 20 0 CBADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)CC(=O)N(C)C ZINC001418460582 906345213 /nfs/dbraw/zinc/34/52/13/906345213.db2.gz FDMAKYSONYOELG-CYBMUJFWSA-N 2 2 298.431 -0.005 20 0 CBADLP CC(C)[NH+]1CCC[C@@H]1C(=O)NCC[N@H+](C)CC(=O)N(C)C ZINC001418460582 906345225 /nfs/dbraw/zinc/34/52/25/906345225.db2.gz FDMAKYSONYOELG-CYBMUJFWSA-N 2 2 298.431 -0.005 20 0 CBADLP CC(C)[NH+]1CCC[C@@H]1C(=O)NCC[N@@H+](C)CC(=O)N(C)C ZINC001418460582 906345235 /nfs/dbraw/zinc/34/52/35/906345235.db2.gz FDMAKYSONYOELG-CYBMUJFWSA-N 2 2 298.431 -0.005 20 0 CBADLP CCNC(=O)C[N@H+](C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001418464630 906347784 /nfs/dbraw/zinc/34/77/84/906347784.db2.gz DKUNPBNHOSBXEE-UHFFFAOYSA-N 2 2 284.404 -0.345 20 0 CBADLP CCNC(=O)C[N@@H+](C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001418464630 906347801 /nfs/dbraw/zinc/34/78/01/906347801.db2.gz DKUNPBNHOSBXEE-UHFFFAOYSA-N 2 2 284.404 -0.345 20 0 CBADLP CN1CCC[C@H]([N@H+](C)CCNC(=O)Cn2cc[nH+]c2)C1=O ZINC001418528034 906389369 /nfs/dbraw/zinc/38/93/69/906389369.db2.gz RZRCHLDOACGQMM-LBPRGKRZSA-N 2 2 293.371 -0.448 20 0 CBADLP CN1CCC[C@H]([N@@H+](C)CCNC(=O)Cn2cc[nH+]c2)C1=O ZINC001418528034 906389377 /nfs/dbraw/zinc/38/93/77/906389377.db2.gz RZRCHLDOACGQMM-LBPRGKRZSA-N 2 2 293.371 -0.448 20 0 CBADLP CC[N@H+](CCNC(=O)Cn1cc[nH+]c1)[C@@H](C)C(=O)N(C)C ZINC001418584480 906414151 /nfs/dbraw/zinc/41/41/51/906414151.db2.gz QAXDEHMFZIFXBW-LBPRGKRZSA-N 2 2 295.387 -0.202 20 0 CBADLP CC[N@@H+](CCNC(=O)Cn1cc[nH+]c1)[C@@H](C)C(=O)N(C)C ZINC001418584480 906414165 /nfs/dbraw/zinc/41/41/65/906414165.db2.gz QAXDEHMFZIFXBW-LBPRGKRZSA-N 2 2 295.387 -0.202 20 0 CBADLP CC[N@H+](C)CCC(=O)N(C)C[C@H]1CC[NH+]1[C@H](C)C(=O)NC ZINC001418594815 906418884 /nfs/dbraw/zinc/41/88/84/906418884.db2.gz MZMGABGMLNAXGT-CHWSQXEVSA-N 2 2 298.431 -0.005 20 0 CBADLP CC[N@@H+](C)CCC(=O)N(C)C[C@H]1CC[NH+]1[C@H](C)C(=O)NC ZINC001418594815 906418892 /nfs/dbraw/zinc/41/88/92/906418892.db2.gz MZMGABGMLNAXGT-CHWSQXEVSA-N 2 2 298.431 -0.005 20 0 CBADLP CC[NH+](C)CCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@H](C)C(=O)NC ZINC001418594815 906418902 /nfs/dbraw/zinc/41/89/02/906418902.db2.gz MZMGABGMLNAXGT-CHWSQXEVSA-N 2 2 298.431 -0.005 20 0 CBADLP CC[NH+](C)CCC(=O)N(C)C[C@H]1CC[N@H+]1[C@H](C)C(=O)NC ZINC001418594815 906418909 /nfs/dbraw/zinc/41/89/09/906418909.db2.gz MZMGABGMLNAXGT-CHWSQXEVSA-N 2 2 298.431 -0.005 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+](C)C ZINC001418595150 906420034 /nfs/dbraw/zinc/42/00/34/906420034.db2.gz GJCOHIXTAFAMBE-LLVKDONJSA-N 2 2 270.377 -0.783 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+](C)C ZINC001418595150 906420040 /nfs/dbraw/zinc/42/00/40/906420040.db2.gz GJCOHIXTAFAMBE-LLVKDONJSA-N 2 2 270.377 -0.783 20 0 CBADLP CNC(=O)C[N@H+](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)C1CC1 ZINC001418813292 906485109 /nfs/dbraw/zinc/48/51/09/906485109.db2.gz YGCMDRKZMWEEGQ-CQSZACIVSA-N 2 2 298.431 -0.101 20 0 CBADLP CNC(=O)C[N@@H+](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)C1CC1 ZINC001418813292 906485116 /nfs/dbraw/zinc/48/51/16/906485116.db2.gz YGCMDRKZMWEEGQ-CQSZACIVSA-N 2 2 298.431 -0.101 20 0 CBADLP C[C@H]([NH2+]CCN(C)C(=O)CCn1cc[nH+]c1)C(=O)N(C)C ZINC001418833624 906489624 /nfs/dbraw/zinc/48/96/24/906489624.db2.gz XEJMFFYAQXWFNU-LBPRGKRZSA-N 2 2 295.387 -0.202 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)CCc1c[nH+]cn1C ZINC001418841366 906494076 /nfs/dbraw/zinc/49/40/76/906494076.db2.gz SSDSEUOLWGUDGR-LLVKDONJSA-N 2 2 295.387 -0.465 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N[C@H]1CCC[NH+](CC(N)=O)C1 ZINC001418961651 906528410 /nfs/dbraw/zinc/52/84/10/906528410.db2.gz IGBPNSYTLNUCEB-NSHDSACASA-N 2 2 270.377 -0.608 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[NH+](CC(N)=O)C1 ZINC001418961651 906528403 /nfs/dbraw/zinc/52/84/03/906528403.db2.gz IGBPNSYTLNUCEB-NSHDSACASA-N 2 2 270.377 -0.608 20 0 CBADLP CC(C)[NH+](C)CC(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001418961651 906528420 /nfs/dbraw/zinc/52/84/20/906528420.db2.gz IGBPNSYTLNUCEB-NSHDSACASA-N 2 2 270.377 -0.608 20 0 CBADLP CC(C)[NH+](C)CC(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001418961651 906528431 /nfs/dbraw/zinc/52/84/31/906528431.db2.gz IGBPNSYTLNUCEB-NSHDSACASA-N 2 2 270.377 -0.608 20 0 CBADLP CCC[N@H+](C)CC(=O)NCC1C[NH+]([C@H](C)C(N)=O)C1 ZINC001419042620 906575441 /nfs/dbraw/zinc/57/54/41/906575441.db2.gz PHOCFDUKPBXZSS-SNVBAGLBSA-N 2 2 270.377 -0.750 20 0 CBADLP CCC[N@@H+](C)CC(=O)NCC1C[NH+]([C@H](C)C(N)=O)C1 ZINC001419042620 906575448 /nfs/dbraw/zinc/57/54/48/906575448.db2.gz PHOCFDUKPBXZSS-SNVBAGLBSA-N 2 2 270.377 -0.750 20 0 CBADLP CC[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1nnn(C)n1 ZINC001419223805 906641533 /nfs/dbraw/zinc/64/15/33/906641533.db2.gz QWFYHDLSZRFVND-JTQLQIEISA-N 2 2 283.380 -0.854 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001419425805 906686266 /nfs/dbraw/zinc/68/62/66/906686266.db2.gz HQLZKKMWCDYBNB-GWOFURMSSA-N 2 2 293.371 -0.301 20 0 CBADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001419425805 906686277 /nfs/dbraw/zinc/68/62/77/906686277.db2.gz HQLZKKMWCDYBNB-GWOFURMSSA-N 2 2 293.371 -0.301 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001419492652 906706199 /nfs/dbraw/zinc/70/61/99/906706199.db2.gz OFOCFRHRCRJRSM-AOOOYVTPSA-N 2 2 279.344 -0.925 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@@H](C)C[NH2+]CC(=O)N(C)C ZINC001419740518 906796127 /nfs/dbraw/zinc/79/61/27/906796127.db2.gz DVKGAPHRRKUNSU-JTQLQIEISA-N 2 2 295.387 -0.215 20 0 CBADLP CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001419758071 906805949 /nfs/dbraw/zinc/80/59/49/906805949.db2.gz NBOBMPCHWMIPLT-GMTAPVOTSA-N 2 2 293.371 -0.256 20 0 CBADLP C[C@@H](C[NH2+]Cc1cnnn1C)N(C)C(=O)Cn1cc[nH+]c1 ZINC001419763282 906808899 /nfs/dbraw/zinc/80/88/99/906808899.db2.gz CXAAEJZNMZVIRD-NSHDSACASA-N 2 2 291.359 -0.352 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1cnn(C)n1 ZINC001419767828 906812692 /nfs/dbraw/zinc/81/26/92/906812692.db2.gz DCGCADBSBNKYCG-WCQYABFASA-N 2 2 294.403 -0.106 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)[NH2+]Cc1cnn(C)n1 ZINC001419767828 906812698 /nfs/dbraw/zinc/81/26/98/906812698.db2.gz DCGCADBSBNKYCG-WCQYABFASA-N 2 2 294.403 -0.106 20 0 CBADLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]CCn1cccn1 ZINC001419900402 906851014 /nfs/dbraw/zinc/85/10/14/906851014.db2.gz NIFVAYJGFPBYAF-LBPRGKRZSA-N 2 2 290.371 -0.046 20 0 CBADLP C[C@@H](C(N)=O)[N@H+](C)CCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001419991924 906889742 /nfs/dbraw/zinc/88/97/42/906889742.db2.gz VGZNUHASCJFYAQ-LBPRGKRZSA-N 2 2 296.415 -0.121 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001419991924 906889755 /nfs/dbraw/zinc/88/97/55/906889755.db2.gz VGZNUHASCJFYAQ-LBPRGKRZSA-N 2 2 296.415 -0.121 20 0 CBADLP CNC(=O)C[N@H+](C)CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001420011864 906893146 /nfs/dbraw/zinc/89/31/46/906893146.db2.gz XBXRMBLSKXHCTD-UHFFFAOYSA-N 2 2 284.404 -0.536 20 0 CBADLP CNC(=O)C[N@@H+](C)CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001420011864 906893161 /nfs/dbraw/zinc/89/31/61/906893161.db2.gz XBXRMBLSKXHCTD-UHFFFAOYSA-N 2 2 284.404 -0.536 20 0 CBADLP CCNC(=O)C[N@H+](C)CCN(C)C(=O)CC[NH+](C)C ZINC001420004830 906896061 /nfs/dbraw/zinc/89/60/61/906896061.db2.gz IJEFNUHBEWPYDI-UHFFFAOYSA-N 2 2 272.393 -0.536 20 0 CBADLP CCNC(=O)C[N@@H+](C)CCN(C)C(=O)CC[NH+](C)C ZINC001420004830 906896073 /nfs/dbraw/zinc/89/60/73/906896073.db2.gz IJEFNUHBEWPYDI-UHFFFAOYSA-N 2 2 272.393 -0.536 20 0 CBADLP CCNC(=O)C[N@H+](C)CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001420319347 907101056 /nfs/dbraw/zinc/10/10/56/907101056.db2.gz NZALACBQPCCNSN-UHFFFAOYSA-N 2 2 298.431 -0.098 20 0 CBADLP CCNC(=O)C[N@@H+](C)CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001420319347 907101065 /nfs/dbraw/zinc/10/10/65/907101065.db2.gz NZALACBQPCCNSN-UHFFFAOYSA-N 2 2 298.431 -0.098 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[N@H+](C)CCF ZINC001420342280 907107892 /nfs/dbraw/zinc/10/78/92/907107892.db2.gz DHDICODYQIEECH-GFCCVEGCSA-N 2 2 275.368 -0.028 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[N@@H+](C)CCF ZINC001420342280 907107900 /nfs/dbraw/zinc/10/79/00/907107900.db2.gz DHDICODYQIEECH-GFCCVEGCSA-N 2 2 275.368 -0.028 20 0 CBADLP C[N@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)CC(=O)N1CCC1 ZINC001420335999 907109355 /nfs/dbraw/zinc/10/93/55/907109355.db2.gz YIFJMCUMZDWLCU-ZDUSSCGKSA-N 2 2 296.415 -0.392 20 0 CBADLP C[N@@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)CC(=O)N1CCC1 ZINC001420335999 907109367 /nfs/dbraw/zinc/10/93/67/907109367.db2.gz YIFJMCUMZDWLCU-ZDUSSCGKSA-N 2 2 296.415 -0.392 20 0 CBADLP C[NH+](CCNC(=O)C[C@@H]1CC[N@H+](C)C1)CC(=O)N1CCC1 ZINC001420335999 907109377 /nfs/dbraw/zinc/10/93/77/907109377.db2.gz YIFJMCUMZDWLCU-ZDUSSCGKSA-N 2 2 296.415 -0.392 20 0 CBADLP C[NH+](CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)CC(=O)N1CCC1 ZINC001420335999 907109387 /nfs/dbraw/zinc/10/93/87/907109387.db2.gz YIFJMCUMZDWLCU-ZDUSSCGKSA-N 2 2 296.415 -0.392 20 0 CBADLP CCNC(=O)C[NH2+]C[C@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001420449068 907164873 /nfs/dbraw/zinc/16/48/73/907164873.db2.gz WLRFVJBYTODCSV-NSHDSACASA-N 2 2 295.387 -0.417 20 0 CBADLP CNC(=O)C[NH2+]C[C@H](C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001420446122 907166641 /nfs/dbraw/zinc/16/66/41/907166641.db2.gz GKWRDQVUNCVADC-VIFPVBQESA-N 2 2 297.359 -0.810 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C[NH2+][C@@H]1CCNC1=O ZINC001420500799 907182914 /nfs/dbraw/zinc/18/29/14/907182914.db2.gz PKNGHCFOAZVWBQ-WCBMZHEXSA-N 2 2 279.344 -0.757 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001420559095 907213817 /nfs/dbraw/zinc/21/38/17/907213817.db2.gz VADNQCOEZNDIKP-WDEREUQCSA-N 2 2 293.371 -0.427 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001420559095 907213835 /nfs/dbraw/zinc/21/38/35/907213835.db2.gz VADNQCOEZNDIKP-WDEREUQCSA-N 2 2 293.371 -0.427 20 0 CBADLP C[C@H](C[N@H+](C)[C@H]1CCN(C)C1=O)NC(=O)Cn1cc[nH+]c1 ZINC001420673497 907265469 /nfs/dbraw/zinc/26/54/69/907265469.db2.gz RTBDDCTWDZRDDE-NEPJUHHUSA-N 2 2 293.371 -0.450 20 0 CBADLP C[C@H](C[N@@H+](C)[C@H]1CCN(C)C1=O)NC(=O)Cn1cc[nH+]c1 ZINC001420673497 907265487 /nfs/dbraw/zinc/26/54/87/907265487.db2.gz RTBDDCTWDZRDDE-NEPJUHHUSA-N 2 2 293.371 -0.450 20 0 CBADLP CN(CC[NH2+][C@@H]1CCN(C)C1=O)C(=O)Cc1[nH]cc[nH+]1 ZINC001420726629 907284191 /nfs/dbraw/zinc/28/41/91/907284191.db2.gz GZCWQUMYJFDSSY-SNVBAGLBSA-N 2 2 279.344 -0.769 20 0 CBADLP CC[N@H+](C)CCC(=O)NC[C@@H]1CC[NH+]1[C@H](C)C(=O)N(C)C ZINC001420870605 907330865 /nfs/dbraw/zinc/33/08/65/907330865.db2.gz JWGFANJAANWLTJ-OLZOCXBDSA-N 2 2 298.431 -0.005 20 0 CBADLP CC[N@@H+](C)CCC(=O)NC[C@@H]1CC[NH+]1[C@H](C)C(=O)N(C)C ZINC001420870605 907330880 /nfs/dbraw/zinc/33/08/80/907330880.db2.gz JWGFANJAANWLTJ-OLZOCXBDSA-N 2 2 298.431 -0.005 20 0 CBADLP CC[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+]1[C@H](C)C(=O)N(C)C ZINC001420870605 907330890 /nfs/dbraw/zinc/33/08/90/907330890.db2.gz JWGFANJAANWLTJ-OLZOCXBDSA-N 2 2 298.431 -0.005 20 0 CBADLP CC[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+]1[C@H](C)C(=O)N(C)C ZINC001420870605 907330903 /nfs/dbraw/zinc/33/09/03/907330903.db2.gz JWGFANJAANWLTJ-OLZOCXBDSA-N 2 2 298.431 -0.005 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001420910322 907347053 /nfs/dbraw/zinc/34/70/53/907347053.db2.gz JNRNALCVNNOASF-NWDGAFQWSA-N 2 2 284.404 -0.348 20 0 CBADLP CNC(=O)[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001420910322 907347071 /nfs/dbraw/zinc/34/70/71/907347071.db2.gz JNRNALCVNNOASF-NWDGAFQWSA-N 2 2 284.404 -0.348 20 0 CBADLP CNC(=O)[C@H](C)[NH+]1CC[C@@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001420910322 907347086 /nfs/dbraw/zinc/34/70/86/907347086.db2.gz JNRNALCVNNOASF-NWDGAFQWSA-N 2 2 284.404 -0.348 20 0 CBADLP CNC(=O)[C@H](C)[NH+]1CC[C@@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001420910322 907347096 /nfs/dbraw/zinc/34/70/96/907347096.db2.gz JNRNALCVNNOASF-NWDGAFQWSA-N 2 2 284.404 -0.348 20 0 CBADLP COC[C@@H](O)C[NH+]1CC(NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001421055034 907410728 /nfs/dbraw/zinc/41/07/28/907410728.db2.gz RXYUTKRVPAQYDX-KBPBESRZSA-N 2 2 299.415 -0.332 20 0 CBADLP COC[C@@H](O)C[NH+]1CC(NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001421055034 907410744 /nfs/dbraw/zinc/41/07/44/907410744.db2.gz RXYUTKRVPAQYDX-KBPBESRZSA-N 2 2 299.415 -0.332 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NCC1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001421146024 907441963 /nfs/dbraw/zinc/44/19/63/907441963.db2.gz VNTWIKVCWLPWQB-JTQLQIEISA-N 2 2 279.344 -0.887 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001421142099 907443813 /nfs/dbraw/zinc/44/38/13/907443813.db2.gz MNRNEEHCFODLAM-NSHDSACASA-N 2 2 293.371 -0.413 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)CCC[NH+](C)C)C1 ZINC001421172519 907453733 /nfs/dbraw/zinc/45/37/33/907453733.db2.gz MSUCFDJUFUFGPN-JTQLQIEISA-N 2 2 270.377 -0.750 20 0 CBADLP COC[C@@H](O)C[N@@H+]1CC[C@@](C)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001421223290 907467708 /nfs/dbraw/zinc/46/77/08/907467708.db2.gz HBVRMPSYJMYZLA-GXTWGEPZSA-N 2 2 296.371 -0.529 20 0 CBADLP COC[C@@H](O)C[N@H+]1CC[C@@](C)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001421223290 907467715 /nfs/dbraw/zinc/46/77/15/907467715.db2.gz HBVRMPSYJMYZLA-GXTWGEPZSA-N 2 2 296.371 -0.529 20 0 CBADLP C[C@@]1(C[NH2+]CC(N)=O)CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001421252126 907477049 /nfs/dbraw/zinc/47/70/49/907477049.db2.gz XRODISPHZFIPFJ-AWEZNQCLSA-N 2 2 293.371 -0.413 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@]1(O)CC[N@H+](CCF)C1 ZINC001421395783 907521342 /nfs/dbraw/zinc/52/13/42/907521342.db2.gz VYVZCKJZHVMTGM-GFCCVEGCSA-N 2 2 270.308 -0.594 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@]1(O)CC[N@@H+](CCF)C1 ZINC001421395783 907521355 /nfs/dbraw/zinc/52/13/55/907521355.db2.gz VYVZCKJZHVMTGM-GFCCVEGCSA-N 2 2 270.308 -0.594 20 0 CBADLP CC[C@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+][C@@H](C)C(N)=O ZINC001421400591 907527754 /nfs/dbraw/zinc/52/77/54/907527754.db2.gz FVQBYGGPPDLVKP-VHSXEESVSA-N 2 2 281.360 -0.300 20 0 CBADLP CC[C@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH2+][C@@H](C)C(N)=O ZINC001421400591 907527757 /nfs/dbraw/zinc/52/77/57/907527757.db2.gz FVQBYGGPPDLVKP-VHSXEESVSA-N 2 2 281.360 -0.300 20 0 CBADLP COC[C@@H](C)[NH+]1CC(O)(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001421457067 907554647 /nfs/dbraw/zinc/55/46/47/907554647.db2.gz MLGDCIZJYLBTER-OLZOCXBDSA-N 2 2 299.415 -0.332 20 0 CBADLP COC[C@@H](C)[NH+]1CC(O)(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001421457067 907554652 /nfs/dbraw/zinc/55/46/52/907554652.db2.gz MLGDCIZJYLBTER-OLZOCXBDSA-N 2 2 299.415 -0.332 20 0 CBADLP CO[C@@H](C)C[NH+]1CC(O)(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001421467578 907560405 /nfs/dbraw/zinc/56/04/05/907560405.db2.gz SUWGQOWVDUSZGC-STQMWFEESA-N 2 2 299.415 -0.332 20 0 CBADLP CO[C@@H](C)C[NH+]1CC(O)(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001421467578 907560425 /nfs/dbraw/zinc/56/04/25/907560425.db2.gz SUWGQOWVDUSZGC-STQMWFEESA-N 2 2 299.415 -0.332 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]C[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001421743515 907628839 /nfs/dbraw/zinc/62/88/39/907628839.db2.gz CQLOJJGRQVLKPO-VHSXEESVSA-N 2 2 281.360 -0.571 20 0 CBADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)C[NH2+]Cc1ncnn1C ZINC001421746814 907634000 /nfs/dbraw/zinc/63/40/00/907634000.db2.gz MFBDACXZCOVDOK-SNVBAGLBSA-N 2 2 291.359 -0.377 20 0 CBADLP C[C@H](C[NH2+][C@H]1CCCNC1=O)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001421952225 907691345 /nfs/dbraw/zinc/69/13/45/907691345.db2.gz CYYDUGMSIAJXBM-PWSUYJOCSA-N 2 2 293.371 -0.333 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001421960041 907691969 /nfs/dbraw/zinc/69/19/69/907691969.db2.gz NEQCEDSJOYXNHS-VHSXEESVSA-N 2 2 281.360 -0.477 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001421953182 907692280 /nfs/dbraw/zinc/69/22/80/907692280.db2.gz FWRSIVYJXRMASV-VHSXEESVSA-N 2 2 281.360 -0.477 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CCC[C@@](CO)([NH2+]CCF)C1 ZINC001421982882 907697160 /nfs/dbraw/zinc/69/71/60/907697160.db2.gz HHEUBRIJFUNVOM-CYBMUJFWSA-N 2 2 284.335 -0.204 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N1CCC[C@@](CO)([NH2+]CCF)C1 ZINC001421981443 907699738 /nfs/dbraw/zinc/69/97/38/907699738.db2.gz MWNAEKJEUCDHAQ-CYBMUJFWSA-N 2 2 284.335 -0.135 20 0 CBADLP CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001422167915 907733271 /nfs/dbraw/zinc/73/32/71/907733271.db2.gz GUZOPCFZPAQQEW-JTQLQIEISA-N 2 2 281.360 -0.427 20 0 CBADLP CC(C)NC(=O)C[NH2+][C@@H](C)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001422164956 907734060 /nfs/dbraw/zinc/73/40/60/907734060.db2.gz AYCIJZZGFYUGLX-NSHDSACASA-N 2 2 295.387 -0.039 20 0 CBADLP CC[C@H](C(N)=O)[N@H+](C)CCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001422207594 907748904 /nfs/dbraw/zinc/74/89/04/907748904.db2.gz KHZPADPLBMSQOZ-LLVKDONJSA-N 2 2 281.360 -0.394 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001422207594 907748918 /nfs/dbraw/zinc/74/89/18/907748918.db2.gz KHZPADPLBMSQOZ-LLVKDONJSA-N 2 2 281.360 -0.394 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1cnsn1 ZINC001422262721 907762678 /nfs/dbraw/zinc/76/26/78/907762678.db2.gz GISMYYYNJRCFQP-QWRGUYRKSA-N 2 2 299.400 -0.801 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1cnsn1 ZINC001422262721 907762688 /nfs/dbraw/zinc/76/26/88/907762688.db2.gz GISMYYYNJRCFQP-QWRGUYRKSA-N 2 2 299.400 -0.801 20 0 CBADLP CNC(=O)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC001422284446 907782630 /nfs/dbraw/zinc/78/26/30/907782630.db2.gz YKYGHSWRBCEDFI-NEPJUHHUSA-N 2 2 293.371 -0.496 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)NC[C@H](O)C[NH2+]C[C@@H]1CCOC1 ZINC001422310016 907792725 /nfs/dbraw/zinc/79/27/25/907792725.db2.gz APSMSHALHULAPW-WCQYABFASA-N 2 2 296.371 -0.555 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)NC[C@H](O)C[NH2+]C[C@@H]1CCOC1 ZINC001422310016 907792730 /nfs/dbraw/zinc/79/27/30/907792730.db2.gz APSMSHALHULAPW-WCQYABFASA-N 2 2 296.371 -0.555 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H](O)C[NH2+]C[C@@H]1CCCOC1 ZINC001422361541 907819939 /nfs/dbraw/zinc/81/99/39/907819939.db2.gz FVPNGRABOQCQLS-WCQYABFASA-N 2 2 296.371 -0.555 20 0 CBADLP C[C@H](CC[NH2+][C@H](C)C(=O)N(C)C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001422435924 907858281 /nfs/dbraw/zinc/85/82/81/907858281.db2.gz YLHDOODRLVGWTM-GHMZBOCLSA-N 2 2 295.387 -0.087 20 0 CBADLP CCN(CC[NH2+][C@H](C)C(=O)NC)C(=O)CCn1cc[nH+]c1 ZINC001422452549 907862078 /nfs/dbraw/zinc/86/20/78/907862078.db2.gz XZPXPGRFFOWFFQ-GFCCVEGCSA-N 2 2 295.387 -0.154 20 0 CBADLP CCN(CC[NH2+][C@@H](C)C(=O)N(C)C)C(=O)Cn1cc[nH+]c1 ZINC001422454819 907869996 /nfs/dbraw/zinc/86/99/96/907869996.db2.gz WIYBHCQHWXSOFY-LBPRGKRZSA-N 2 2 295.387 -0.202 20 0 CBADLP CNC(=O)[C@H](C)[N@H+](C)[C@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001422542069 907912788 /nfs/dbraw/zinc/91/27/88/907912788.db2.gz VWFBJQYVZHSYPW-NEPJUHHUSA-N 2 2 295.387 -0.156 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+](C)[C@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001422542069 907912803 /nfs/dbraw/zinc/91/28/03/907912803.db2.gz VWFBJQYVZHSYPW-NEPJUHHUSA-N 2 2 295.387 -0.156 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[NH2+]Cc1nncn1C ZINC001422543617 907913844 /nfs/dbraw/zinc/91/38/44/907913844.db2.gz QDIIQQUYIRSTBR-SNVBAGLBSA-N 2 2 291.359 -0.385 20 0 CBADLP C[C@H](C[NH2+]CC(=O)N(C)C1CC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001422569680 907924353 /nfs/dbraw/zinc/92/43/53/907924353.db2.gz QXHARUCFOMNKRD-SNVBAGLBSA-N 2 2 293.371 -0.333 20 0 CBADLP CCCNC(=O)C[NH2+]C[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001422575629 907930701 /nfs/dbraw/zinc/93/07/01/907930701.db2.gz GMHXJEPOXFUAAK-SNVBAGLBSA-N 2 2 281.360 -0.427 20 0 CBADLP Cc1nnc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)o1 ZINC001422613050 907945400 /nfs/dbraw/zinc/94/54/00/907945400.db2.gz FJABJKTZALXOIS-KOLCDFICSA-N 2 2 281.360 -0.076 20 0 CBADLP Cc1nnc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)o1 ZINC001422613050 907945414 /nfs/dbraw/zinc/94/54/14/907945414.db2.gz FJABJKTZALXOIS-KOLCDFICSA-N 2 2 281.360 -0.076 20 0 CBADLP C[C@H](C[NH2+]CC(=O)NC(C)(C)C)NC(=O)Cn1cc[nH+]c1 ZINC001422615830 907946130 /nfs/dbraw/zinc/94/61/30/907946130.db2.gz IFYUXCMOJQQSRG-LLVKDONJSA-N 2 2 295.387 -0.108 20 0 CBADLP Cc1nocc1C[NH2+]C[C@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001422632064 907954122 /nfs/dbraw/zinc/95/41/22/907954122.db2.gz IGARUSRKAVGKFL-GWCFXTLKSA-N 2 2 296.371 -0.092 20 0 CBADLP Cc1nocc1C[NH2+]C[C@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001422632064 907954135 /nfs/dbraw/zinc/95/41/35/907954135.db2.gz IGARUSRKAVGKFL-GWCFXTLKSA-N 2 2 296.371 -0.092 20 0 CBADLP NC(=O)C[NH2+]CC1(NC(=O)Cc2c[nH]c[nH+]2)CCCCC1 ZINC001422683662 907975521 /nfs/dbraw/zinc/97/55/21/907975521.db2.gz KCVPQSOWFPRLOR-UHFFFAOYSA-N 2 2 293.371 -0.154 20 0 CBADLP CCN(C)C(=O)C[NH2+]C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001422711290 907978792 /nfs/dbraw/zinc/97/87/92/907978792.db2.gz SOXAWCMQCYZEIF-JTQLQIEISA-N 2 2 281.360 -0.475 20 0 CBADLP C[N@H+](CC(=O)NC[C@H]1CC[NH+]1[C@@H]1CCNC1=O)C1CCC1 ZINC001423101486 908107056 /nfs/dbraw/zinc/10/70/56/908107056.db2.gz AMNYCQMTFSANJM-CHWSQXEVSA-N 2 2 294.399 -0.450 20 0 CBADLP C[N@@H+](CC(=O)NC[C@H]1CC[NH+]1[C@@H]1CCNC1=O)C1CCC1 ZINC001423101486 908107065 /nfs/dbraw/zinc/10/70/65/908107065.db2.gz AMNYCQMTFSANJM-CHWSQXEVSA-N 2 2 294.399 -0.450 20 0 CBADLP C[NH+](CC(=O)NC[C@H]1CC[N@@H+]1[C@@H]1CCNC1=O)C1CCC1 ZINC001423101486 908107072 /nfs/dbraw/zinc/10/70/72/908107072.db2.gz AMNYCQMTFSANJM-CHWSQXEVSA-N 2 2 294.399 -0.450 20 0 CBADLP C[NH+](CC(=O)NC[C@H]1CC[N@H+]1[C@@H]1CCNC1=O)C1CCC1 ZINC001423101486 908107077 /nfs/dbraw/zinc/10/70/77/908107077.db2.gz AMNYCQMTFSANJM-CHWSQXEVSA-N 2 2 294.399 -0.450 20 0 CBADLP C[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+]1CC(=O)N1CCC1 ZINC001423117818 908112887 /nfs/dbraw/zinc/11/28/87/908112887.db2.gz STNYFUHESUQOHD-GFCCVEGCSA-N 2 2 282.388 -0.639 20 0 CBADLP C[NH+](C)CCC(=O)NC[C@H]1CC[N@H+]1CC(=O)N1CCC1 ZINC001423117818 908112890 /nfs/dbraw/zinc/11/28/90/908112890.db2.gz STNYFUHESUQOHD-GFCCVEGCSA-N 2 2 282.388 -0.639 20 0 CBADLP C[C@@H](CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1)[NH2+][C@@H](C)C(N)=O ZINC001423145757 908118542 /nfs/dbraw/zinc/11/85/42/908118542.db2.gz HQCQIJOGSYGORD-UWVGGRQHSA-N 2 2 295.387 -0.002 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CC[NH+]1[C@H]1CCNC1=O ZINC001423170185 908126737 /nfs/dbraw/zinc/12/67/37/908126737.db2.gz ASMQESXXFRMDIF-RYUDHWBXSA-N 2 2 282.388 -0.594 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CC[NH+]1[C@H]1CCNC1=O ZINC001423170185 908126747 /nfs/dbraw/zinc/12/67/47/908126747.db2.gz ASMQESXXFRMDIF-RYUDHWBXSA-N 2 2 282.388 -0.594 20 0 CBADLP CC(C)[NH+](C)CC(=O)NC[C@@H]1CC[N@@H+]1[C@H]1CCNC1=O ZINC001423170185 908126757 /nfs/dbraw/zinc/12/67/57/908126757.db2.gz ASMQESXXFRMDIF-RYUDHWBXSA-N 2 2 282.388 -0.594 20 0 CBADLP CC(C)[NH+](C)CC(=O)NC[C@@H]1CC[N@H+]1[C@H]1CCNC1=O ZINC001423170185 908126770 /nfs/dbraw/zinc/12/67/70/908126770.db2.gz ASMQESXXFRMDIF-RYUDHWBXSA-N 2 2 282.388 -0.594 20 0 CBADLP Cn1ncc(C[NH2+]C2(CNC(=O)[C@H]3CCC[N@@H+]3C)CC2)n1 ZINC001423253778 908175350 /nfs/dbraw/zinc/17/53/50/908175350.db2.gz XHIZAPPNIKREKE-GFCCVEGCSA-N 2 2 292.387 -0.352 20 0 CBADLP Cn1ncc(C[NH2+]C2(CNC(=O)[C@H]3CCC[N@H+]3C)CC2)n1 ZINC001423253778 908175363 /nfs/dbraw/zinc/17/53/63/908175363.db2.gz XHIZAPPNIKREKE-GFCCVEGCSA-N 2 2 292.387 -0.352 20 0 CBADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1[NH2+]CCCO ZINC001502747428 921387184 /nfs/dbraw/zinc/38/71/84/921387184.db2.gz CFHGBTIJEAESLL-MNOVXSKESA-N 2 2 266.345 -0.229 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]C1(CNC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001423299739 908195889 /nfs/dbraw/zinc/19/58/89/908195889.db2.gz SQGHNXLACPNAHN-JTQLQIEISA-N 2 2 293.371 -0.366 20 0 CBADLP Cc1oncc1C[NH2+][C@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001423309306 908197477 /nfs/dbraw/zinc/19/74/77/908197477.db2.gz LGODDSNZDUOEOB-LBPRGKRZSA-N 2 2 293.327 -0.554 20 0 CBADLP CC[C@H](C(=O)N(C)C1C[NH+](C[C@H](O)COC)C1)[NH+](C)C ZINC001423404602 908217946 /nfs/dbraw/zinc/21/79/46/908217946.db2.gz KBTYTWDSPZWDOE-QWHCGFSZSA-N 2 2 287.404 -0.524 20 0 CBADLP COC[C@H](C)[NH2+]C[C@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001423472602 908245733 /nfs/dbraw/zinc/24/57/33/908245733.db2.gz ZEVHWYFMUNYRHG-JQWIXIFHSA-N 2 2 284.360 -0.604 20 0 CBADLP CN(C[C@@H](O)C[NH2+]C[C@H]1CCOC1)C(=O)Cn1cc[nH+]c1 ZINC001423489455 908258461 /nfs/dbraw/zinc/25/84/61/908258461.db2.gz KILHESUIBIEPCF-OLZOCXBDSA-N 2 2 296.371 -0.672 20 0 CBADLP C[C@@H](O)C[N@@H+]1CC[C@@](C)(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001423577804 908285240 /nfs/dbraw/zinc/28/52/40/908285240.db2.gz DOKKCBYDRQOUDW-BXUZGUMPSA-N 2 2 280.372 -0.076 20 0 CBADLP C[C@@H](O)C[N@H+]1CC[C@@](C)(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001423577804 908285251 /nfs/dbraw/zinc/28/52/51/908285251.db2.gz DOKKCBYDRQOUDW-BXUZGUMPSA-N 2 2 280.372 -0.076 20 0 CBADLP CC(C)N(CC[N@H+](C)CC(N)=O)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001423574011 908288013 /nfs/dbraw/zinc/28/80/13/908288013.db2.gz ALQBQYFLSILMNB-GFCCVEGCSA-N 2 2 284.404 -0.408 20 0 CBADLP CC(C)N(CC[N@@H+](C)CC(N)=O)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001423574011 908288031 /nfs/dbraw/zinc/28/80/31/908288031.db2.gz ALQBQYFLSILMNB-GFCCVEGCSA-N 2 2 284.404 -0.408 20 0 CBADLP CC(C)N(CC[NH+](C)CC(N)=O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001423574011 908288049 /nfs/dbraw/zinc/28/80/49/908288049.db2.gz ALQBQYFLSILMNB-GFCCVEGCSA-N 2 2 284.404 -0.408 20 0 CBADLP CC(C)N(CC[NH+](C)CC(N)=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001423574011 908288066 /nfs/dbraw/zinc/28/80/66/908288066.db2.gz ALQBQYFLSILMNB-GFCCVEGCSA-N 2 2 284.404 -0.408 20 0 CBADLP C[C@H]([NH2+]C[C@H](NC(=O)Cc1[nH]cc[nH+]1)C(C)(C)C)C(N)=O ZINC001423611555 908291857 /nfs/dbraw/zinc/29/18/57/908291857.db2.gz DJHFPKXHQFAYML-UWVGGRQHSA-N 2 2 295.387 -0.054 20 0 CBADLP CN(C(=O)CC[NH+](C)C)C1CC([NH2+]Cc2nnn(C)n2)C1 ZINC001423696021 908305327 /nfs/dbraw/zinc/30/53/27/908305327.db2.gz PQZSLDXKLQSVPR-UHFFFAOYSA-N 2 2 295.391 -0.759 20 0 CBADLP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1(O)C[NH+](CCCF)C1 ZINC001423831541 908350781 /nfs/dbraw/zinc/35/07/81/908350781.db2.gz FNRQKKHLNMTTOA-GFCCVEGCSA-N 2 2 287.379 -0.007 20 0 CBADLP C[N@H+]1CCCC[C@@H]1C(=O)NCC1(O)C[NH+](CCCF)C1 ZINC001423831541 908350796 /nfs/dbraw/zinc/35/07/96/908350796.db2.gz FNRQKKHLNMTTOA-GFCCVEGCSA-N 2 2 287.379 -0.007 20 0 CBADLP C[C@@H](C(N)=O)[N@H+](C)CCCN(C)C(=O)CCn1cc[nH+]c1 ZINC001424321240 908444385 /nfs/dbraw/zinc/44/43/85/908444385.db2.gz NINSCJKYPHNZKO-LBPRGKRZSA-N 2 2 295.387 -0.073 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+](C)CCCN(C)C(=O)CCn1cc[nH+]c1 ZINC001424321240 908444393 /nfs/dbraw/zinc/44/43/93/908444393.db2.gz NINSCJKYPHNZKO-LBPRGKRZSA-N 2 2 295.387 -0.073 20 0 CBADLP Cc1cn(C(C)(C)C(=O)NCC[C@H](C)[NH2+]CC(N)=O)c[nH+]1 ZINC001424576245 908474323 /nfs/dbraw/zinc/47/43/23/908474323.db2.gz KSIJHUOMYWNZIO-JTQLQIEISA-N 2 2 295.387 -0.104 20 0 CBADLP CC[C@H]([NH2+][C@@H](C)CCNC(=O)Cc1c[nH+]cn1C)C(N)=O ZINC001424616715 908480550 /nfs/dbraw/zinc/48/05/50/908480550.db2.gz QJZPQEHJAZKKBO-JQWIXIFHSA-N 2 2 295.387 -0.289 20 0 CBADLP C[C@H]([NH2+]CC1CC(NC(=O)Cc2c[nH+]cn2C)C1)C(N)=O ZINC001424750470 908496656 /nfs/dbraw/zinc/49/66/56/908496656.db2.gz KSTUJKWHJRNFGC-WHXUTIOJSA-N 2 2 293.371 -0.679 20 0 CBADLP CC[N@H+](C)CCC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1nnn(C)n1 ZINC001424829840 908514488 /nfs/dbraw/zinc/51/44/88/908514488.db2.gz ILDJUUKEEPUEQK-MNOVXSKESA-N 2 2 297.407 -0.465 20 0 CBADLP CC[N@@H+](C)CCC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1nnn(C)n1 ZINC001424829840 908514503 /nfs/dbraw/zinc/51/45/03/908514503.db2.gz ILDJUUKEEPUEQK-MNOVXSKESA-N 2 2 297.407 -0.465 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NC[C@@H](C)[N@H+](C)CC(=O)N(C)C ZINC001424983010 908542870 /nfs/dbraw/zinc/54/28/70/908542870.db2.gz ORJLWCBTKBJFJD-LLVKDONJSA-N 2 2 295.387 -0.284 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NC[C@@H](C)[N@@H+](C)CC(=O)N(C)C ZINC001424983010 908542883 /nfs/dbraw/zinc/54/28/83/908542883.db2.gz ORJLWCBTKBJFJD-LLVKDONJSA-N 2 2 295.387 -0.284 20 0 CBADLP CNC(=O)C[N@H+](C)[C@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001425074790 908568893 /nfs/dbraw/zinc/56/88/93/908568893.db2.gz OWRABNZFJSIMAQ-SNVBAGLBSA-N 2 2 281.360 -0.626 20 0 CBADLP CNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001425074790 908568901 /nfs/dbraw/zinc/56/89/01/908568901.db2.gz OWRABNZFJSIMAQ-SNVBAGLBSA-N 2 2 281.360 -0.626 20 0 CBADLP C[C@H]1CC[N@H+](CC(=O)NC2(CCO)C[NH+](CCCO)C2)C1 ZINC001425196377 908584966 /nfs/dbraw/zinc/58/49/66/908584966.db2.gz AJBFTZRMHXVFDS-ZDUSSCGKSA-N 2 2 299.415 -0.736 20 0 CBADLP C[C@H]1CC[N@@H+](CC(=O)NC2(CCO)C[NH+](CCCO)C2)C1 ZINC001425196377 908584974 /nfs/dbraw/zinc/58/49/74/908584974.db2.gz AJBFTZRMHXVFDS-ZDUSSCGKSA-N 2 2 299.415 -0.736 20 0 CBADLP CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001425236798 908591467 /nfs/dbraw/zinc/59/14/67/908591467.db2.gz RIXPUOQAIQMZLV-AAEUAGOBSA-N 2 2 296.415 -0.347 20 0 CBADLP CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001425236798 908591474 /nfs/dbraw/zinc/59/14/74/908591474.db2.gz RIXPUOQAIQMZLV-AAEUAGOBSA-N 2 2 296.415 -0.347 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N2CCCC[C@H]2C[NH2+]CCO)C1 ZINC001505403431 921423476 /nfs/dbraw/zinc/42/34/76/921423476.db2.gz HGEHYEBWYCHFAX-QWHCGFSZSA-N 2 2 285.388 -0.720 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N2CCCC[C@H]2C[NH2+]CCO)C1 ZINC001505403431 921423483 /nfs/dbraw/zinc/42/34/83/921423483.db2.gz HGEHYEBWYCHFAX-QWHCGFSZSA-N 2 2 285.388 -0.720 20 0 CBADLP CC[C@H]([NH2+][C@H](C)CN(C)C(=O)CCn1cc[nH+]c1)C(N)=O ZINC001425618208 908682784 /nfs/dbraw/zinc/68/27/84/908682784.db2.gz LHGGDGJISGLZQR-NEPJUHHUSA-N 2 2 295.387 -0.026 20 0 CBADLP C[C@H](CN(C)C(=O)Cc1[nH]cc[nH+]1)[NH2+][C@H]1CCCNC1=O ZINC001425654802 908686282 /nfs/dbraw/zinc/68/62/82/908686282.db2.gz AKEWFUTVIVSTGU-MNOVXSKESA-N 2 2 293.371 -0.333 20 0 CBADLP C[C@@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+][C@H]1CCCNC1=O ZINC001425693469 908693173 /nfs/dbraw/zinc/69/31/73/908693173.db2.gz KMSBUERHPLDOQF-RYUDHWBXSA-N 2 2 293.371 -0.402 20 0 CBADLP O=C(Cc1cn2c([nH+]1)CCCC2)NC[C@@H](CO)[NH2+]CCF ZINC001425744311 908721356 /nfs/dbraw/zinc/72/13/56/908721356.db2.gz ODXCIYLADMEXRO-LBPRGKRZSA-N 2 2 298.362 -0.202 20 0 CBADLP O=C(NC[C@H](CO)[NH2+]CC1CC1)[C@H]1CCc2[nH+]ccn2C1 ZINC001425785540 908739346 /nfs/dbraw/zinc/73/93/46/908739346.db2.gz MYTOVCXHAYSOPH-QWHCGFSZSA-N 2 2 292.383 -0.078 20 0 CBADLP NC(=O)C[NH2+]C[C@H]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001425943783 908784345 /nfs/dbraw/zinc/78/43/45/908784345.db2.gz BXGNQMNETGMSLP-WDEREUQCSA-N 2 2 293.371 -0.298 20 0 CBADLP NC(=O)C[NH2+]C[C@H]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001425943783 908784352 /nfs/dbraw/zinc/78/43/52/908784352.db2.gz BXGNQMNETGMSLP-WDEREUQCSA-N 2 2 293.371 -0.298 20 0 CBADLP C[C@H](NC(=O)CC[NH+](C)C)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001426504072 908873170 /nfs/dbraw/zinc/87/31/70/908873170.db2.gz OGDVJCMMEPPSRJ-RYUDHWBXSA-N 2 2 295.387 -0.156 20 0 CBADLP CC[NH+](CC)CC(=O)NCCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001431272794 909443166 /nfs/dbraw/zinc/44/31/66/909443166.db2.gz OCFMFIRIEPSHPJ-UHFFFAOYSA-N 2 2 295.387 -0.131 20 0 CBADLP CN(CCNC(=O)Cc1[nH]cc[nH+]1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001431476370 909477545 /nfs/dbraw/zinc/47/75/45/909477545.db2.gz PEBHLNUROUBDOA-NSHDSACASA-N 2 2 293.371 -0.522 20 0 CBADLP CN(CCNC(=O)Cc1[nH]cc[nH+]1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001431476370 909477553 /nfs/dbraw/zinc/47/75/53/909477553.db2.gz PEBHLNUROUBDOA-NSHDSACASA-N 2 2 293.371 -0.522 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)[N@H+](C)CCO ZINC001505947979 921509326 /nfs/dbraw/zinc/50/93/26/921509326.db2.gz FNLCDXGMTYCOKP-RYUDHWBXSA-N 2 2 280.372 -0.126 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)[N@@H+](C)CCO ZINC001505947979 921509334 /nfs/dbraw/zinc/50/93/34/921509334.db2.gz FNLCDXGMTYCOKP-RYUDHWBXSA-N 2 2 280.372 -0.126 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@]3(O)CCOC3)C2)CC1 ZINC001433667449 909808167 /nfs/dbraw/zinc/80/81/67/909808167.db2.gz AFUUCHYXPWSJQL-WFASDCNBSA-N 2 2 297.399 -0.578 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@]3(O)CCOC3)C2)CC1 ZINC001433667449 909808181 /nfs/dbraw/zinc/80/81/81/909808181.db2.gz AFUUCHYXPWSJQL-WFASDCNBSA-N 2 2 297.399 -0.578 20 0 CBADLP C[C@H](O)C[NH+]1CC(CCO)(NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001506119012 921551011 /nfs/dbraw/zinc/55/10/11/921551011.db2.gz GFRXUMYEZGPXGI-OLZOCXBDSA-N 2 2 299.415 -0.738 20 0 CBADLP C[C@H](O)C[NH+]1CC(CCO)(NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001506119012 921551023 /nfs/dbraw/zinc/55/10/23/921551023.db2.gz GFRXUMYEZGPXGI-OLZOCXBDSA-N 2 2 299.415 -0.738 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001436372310 910435036 /nfs/dbraw/zinc/43/50/36/910435036.db2.gz XAUHLGVLZCRXBC-AOOOYVTPSA-N 2 2 279.344 -0.770 20 0 CBADLP NC(=O)C[NH2+][C@@H](CNC(=O)CCn1cc[nH+]c1)C1CC1 ZINC001436800359 910486927 /nfs/dbraw/zinc/48/69/27/910486927.db2.gz IJIUSZYOCXQDEM-NSHDSACASA-N 2 2 279.344 -0.757 20 0 CBADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@@H]1CCCN(C)C1=O ZINC001437203132 910587641 /nfs/dbraw/zinc/58/76/41/910587641.db2.gz NKUAMKBFRBFCSF-CMPLNLGQSA-N 2 2 293.371 -0.333 20 0 CBADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CCN1CCNC1=O ZINC001437275298 910600613 /nfs/dbraw/zinc/60/06/13/910600613.db2.gz WXWAZUPNPQAPKW-LLVKDONJSA-N 2 2 294.359 -0.997 20 0 CBADLP C[C@@H]([NH2+]C[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1)C(N)=O ZINC001437316928 910613049 /nfs/dbraw/zinc/61/30/49/910613049.db2.gz YSUIWCNKQCSIJD-GHMZBOCLSA-N 2 2 293.371 -0.346 20 0 CBADLP C[C@@H]([NH2+]C[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1)C(N)=O ZINC001437316928 910613058 /nfs/dbraw/zinc/61/30/58/910613058.db2.gz YSUIWCNKQCSIJD-GHMZBOCLSA-N 2 2 293.371 -0.346 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001437312474 910613197 /nfs/dbraw/zinc/61/31/97/910613197.db2.gz OXKZXKRZSZYTOU-MNOVXSKESA-N 2 2 293.371 -0.475 20 0 CBADLP CN(C(=O)C[N@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C)C1CC1 ZINC001437445871 910640802 /nfs/dbraw/zinc/64/08/02/910640802.db2.gz BMFRCIOWLNDTKD-CYBMUJFWSA-N 2 2 296.415 -0.251 20 0 CBADLP CN(C(=O)C[N@@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C)C1CC1 ZINC001437445871 910640813 /nfs/dbraw/zinc/64/08/13/910640813.db2.gz BMFRCIOWLNDTKD-CYBMUJFWSA-N 2 2 296.415 -0.251 20 0 CBADLP CN(C(=O)C[NH+](C)CCNC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001437445871 910640845 /nfs/dbraw/zinc/64/08/45/910640845.db2.gz BMFRCIOWLNDTKD-CYBMUJFWSA-N 2 2 296.415 -0.251 20 0 CBADLP CC[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)CC(=O)NC ZINC001437603080 910699918 /nfs/dbraw/zinc/69/99/18/910699918.db2.gz RQKZKVVUETUJJD-GFCCVEGCSA-N 2 2 284.404 -0.345 20 0 CBADLP CC[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)CC(=O)NC ZINC001437603080 910699924 /nfs/dbraw/zinc/69/99/24/910699924.db2.gz RQKZKVVUETUJJD-GFCCVEGCSA-N 2 2 284.404 -0.345 20 0 CBADLP CC[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1C)CC(=O)NC ZINC001437603080 910699933 /nfs/dbraw/zinc/69/99/33/910699933.db2.gz RQKZKVVUETUJJD-GFCCVEGCSA-N 2 2 284.404 -0.345 20 0 CBADLP CC[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1C)CC(=O)NC ZINC001437603080 910699939 /nfs/dbraw/zinc/69/99/39/910699939.db2.gz RQKZKVVUETUJJD-GFCCVEGCSA-N 2 2 284.404 -0.345 20 0 CBADLP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC[NH+](CC(N)=O)C1CC1 ZINC001437810752 910749761 /nfs/dbraw/zinc/74/97/61/910749761.db2.gz CJVDPKRDSRPDTI-TXEJJXNPSA-N 2 2 296.415 -0.075 20 0 CBADLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC[NH+](CC(N)=O)C1CC1 ZINC001437810752 910749771 /nfs/dbraw/zinc/74/97/71/910749771.db2.gz CJVDPKRDSRPDTI-TXEJJXNPSA-N 2 2 296.415 -0.075 20 0 CBADLP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NCC[N@H+](CC(N)=O)C1CC1 ZINC001437810752 910749793 /nfs/dbraw/zinc/74/97/93/910749793.db2.gz CJVDPKRDSRPDTI-TXEJJXNPSA-N 2 2 296.415 -0.075 20 0 CBADLP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NCC[N@@H+](CC(N)=O)C1CC1 ZINC001437810752 910749808 /nfs/dbraw/zinc/74/98/08/910749808.db2.gz CJVDPKRDSRPDTI-TXEJJXNPSA-N 2 2 296.415 -0.075 20 0 CBADLP CC[C@@H](C(=O)N[C@H]1CCC[N@@H+]([C@H](C)C(N)=O)C1)[NH+](C)C ZINC001438029644 910797966 /nfs/dbraw/zinc/79/79/66/910797966.db2.gz VJNJAUIYANYVJL-WOPDTQHZSA-N 2 2 284.404 -0.219 20 0 CBADLP CC[C@@H](C(=O)N[C@H]1CCC[N@H+]([C@H](C)C(N)=O)C1)[NH+](C)C ZINC001438029644 910797982 /nfs/dbraw/zinc/79/79/82/910797982.db2.gz VJNJAUIYANYVJL-WOPDTQHZSA-N 2 2 284.404 -0.219 20 0 CBADLP CNC(=O)C[NH+]1CC(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001438130085 910825785 /nfs/dbraw/zinc/82/57/85/910825785.db2.gz RJVAHAHCISVNIP-UHFFFAOYSA-N 2 2 282.388 -0.735 20 0 CBADLP CNC(=O)C[NH+]1CC(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001438130085 910825795 /nfs/dbraw/zinc/82/57/95/910825795.db2.gz RJVAHAHCISVNIP-UHFFFAOYSA-N 2 2 282.388 -0.735 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001438209841 910841467 /nfs/dbraw/zinc/84/14/67/910841467.db2.gz YUNMUDZFGSNCHO-GFCCVEGCSA-N 2 2 298.431 -0.099 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001438209841 910841476 /nfs/dbraw/zinc/84/14/76/910841476.db2.gz YUNMUDZFGSNCHO-GFCCVEGCSA-N 2 2 298.431 -0.099 20 0 CBADLP CNC(=O)C[NH+]1CC[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001438209841 910841481 /nfs/dbraw/zinc/84/14/81/910841481.db2.gz YUNMUDZFGSNCHO-GFCCVEGCSA-N 2 2 298.431 -0.099 20 0 CBADLP CNC(=O)C[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001438209841 910841486 /nfs/dbraw/zinc/84/14/86/910841486.db2.gz YUNMUDZFGSNCHO-GFCCVEGCSA-N 2 2 298.431 -0.099 20 0 CBADLP CC[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@@H](C)C(=O)N(C)C ZINC001438340099 910881474 /nfs/dbraw/zinc/88/14/74/910881474.db2.gz GCGIMLOINNNQJB-QWRGUYRKSA-N 2 2 295.387 -0.087 20 0 CBADLP CC[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@@H]1CCCNC1=O ZINC001438342436 910882131 /nfs/dbraw/zinc/88/21/31/910882131.db2.gz IZRGDEIGUIKULX-ZYHUDNBSSA-N 2 2 293.371 -0.285 20 0 CBADLP C[C@@](C[NH2+]CC(N)=O)(NC(=O)CCc1c[nH]c[nH+]1)C1CC1 ZINC001438422437 910891031 /nfs/dbraw/zinc/89/10/31/910891031.db2.gz SFISQHGEXVWOBR-AWEZNQCLSA-N 2 2 293.371 -0.298 20 0 CBADLP C[C@@](C[NH2+]CC(N)=O)(NC(=O)CCc1c[nH+]c[nH]1)C1CC1 ZINC001438422437 910891041 /nfs/dbraw/zinc/89/10/41/910891041.db2.gz SFISQHGEXVWOBR-AWEZNQCLSA-N 2 2 293.371 -0.298 20 0 CBADLP CN(C)C(=O)C[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001438861227 910982725 /nfs/dbraw/zinc/98/27/25/910982725.db2.gz KGWXUSXYXMZZIW-LBPRGKRZSA-N 2 2 284.404 -0.441 20 0 CBADLP CN(C)C(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001438861227 910982736 /nfs/dbraw/zinc/98/27/36/910982736.db2.gz KGWXUSXYXMZZIW-LBPRGKRZSA-N 2 2 284.404 -0.441 20 0 CBADLP CN(C)C(=O)C[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001438861227 910982744 /nfs/dbraw/zinc/98/27/44/910982744.db2.gz KGWXUSXYXMZZIW-LBPRGKRZSA-N 2 2 284.404 -0.441 20 0 CBADLP CN(C)C(=O)C[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001438861227 910982755 /nfs/dbraw/zinc/98/27/55/910982755.db2.gz KGWXUSXYXMZZIW-LBPRGKRZSA-N 2 2 284.404 -0.441 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CCN(C)C(=O)CC[NH+](C)C ZINC001438905613 910999414 /nfs/dbraw/zinc/99/94/14/910999414.db2.gz ZIVXBPFXULCCHK-UHFFFAOYSA-N 2 2 286.420 -0.147 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CCN(C)C(=O)CC[NH+](C)C ZINC001438905613 910999424 /nfs/dbraw/zinc/99/94/24/910999424.db2.gz ZIVXBPFXULCCHK-UHFFFAOYSA-N 2 2 286.420 -0.147 20 0 CBADLP NC(=O)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001438959305 911017166 /nfs/dbraw/zinc/01/71/66/911017166.db2.gz XFIKQZANEZELGP-CMPLNLGQSA-N 2 2 293.371 -0.298 20 0 CBADLP NC(=O)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001438959305 911017179 /nfs/dbraw/zinc/01/71/79/911017179.db2.gz XFIKQZANEZELGP-CMPLNLGQSA-N 2 2 293.371 -0.298 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC[C@H](O)C[NH2+]C[C@H]1CCOC1 ZINC001439050522 911077078 /nfs/dbraw/zinc/07/70/78/911077078.db2.gz VUWCGEFSWRXBMX-DGCLKSJQSA-N 2 2 296.371 -0.934 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC[C@H](O)C[NH2+]C[C@@H]1CCOC1 ZINC001439050523 911079461 /nfs/dbraw/zinc/07/94/61/911079461.db2.gz VUWCGEFSWRXBMX-WCQYABFASA-N 2 2 296.371 -0.934 20 0 CBADLP Cc1oncc1C[NH2+]C[C@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001439062649 911081223 /nfs/dbraw/zinc/08/12/23/911081223.db2.gz SWHODHZVYBOECA-LBPRGKRZSA-N 2 2 293.327 -0.554 20 0 CBADLP C[C@H](C[NH2+]CC(N)=O)NC(=O)c1cccc2[nH+]ccn21 ZINC001439132198 911113831 /nfs/dbraw/zinc/11/38/31/911113831.db2.gz UVVMWOSIKQUACR-SECBINFHSA-N 2 2 275.312 -0.473 20 0 CBADLP C[C@H](C[NH2+]Cc1nccn1C)NC(=O)Cn1cc[nH+]c1 ZINC001439184770 911128350 /nfs/dbraw/zinc/12/83/50/911128350.db2.gz LNCOKTJVPQPMKA-LLVKDONJSA-N 2 2 276.344 -0.089 20 0 CBADLP C[C@H](C[NH2+][C@H]1CCCNC1=O)NC(=O)Cn1cc[nH+]c1 ZINC001439184607 911129833 /nfs/dbraw/zinc/12/98/33/911129833.db2.gz JRDYFVRGOMJMGW-MNOVXSKESA-N 2 2 279.344 -0.744 20 0 CBADLP C[C@H](C[NH2+]CC(=O)N(C)C1CC1)NC(=O)Cn1cc[nH+]c1 ZINC001439185786 911131315 /nfs/dbraw/zinc/13/13/15/911131315.db2.gz VWPKZBBMTKTXAU-LLVKDONJSA-N 2 2 293.371 -0.402 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)N[C@H]1C[C@H](C[NH2+]CC(N)=O)C1 ZINC001506902778 921639689 /nfs/dbraw/zinc/63/96/89/921639689.db2.gz MSMUDNAESHTLQA-XYPYZODXSA-N 2 2 293.371 -0.678 20 0 CBADLP NC(=O)C[NH2+]C[C@H](NC(=O)CCc1c[nH]c[nH+]1)C1CC1 ZINC001439453227 911210073 /nfs/dbraw/zinc/21/00/73/911210073.db2.gz GIDJLRPGCYYZCT-NSHDSACASA-N 2 2 279.344 -0.688 20 0 CBADLP NC(=O)C[NH2+]C[C@H](NC(=O)CCc1c[nH+]c[nH]1)C1CC1 ZINC001439453227 911210089 /nfs/dbraw/zinc/21/00/89/911210089.db2.gz GIDJLRPGCYYZCT-NSHDSACASA-N 2 2 279.344 -0.688 20 0 CBADLP C[C@H]([NH2+]C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C1CC1)C(N)=O ZINC001439490865 911223401 /nfs/dbraw/zinc/22/34/01/911223401.db2.gz XWHOPZJVADLNFU-WCBMZHEXSA-N 2 2 279.344 -0.690 20 0 CBADLP CNC(=O)C[NH2+]CCC[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001506946752 921645118 /nfs/dbraw/zinc/64/51/18/921645118.db2.gz RFJQHSGGKJJTHI-SNVBAGLBSA-N 2 2 295.387 -0.119 20 0 CBADLP C[C@H]([NH2+]C1(CNC(=O)CCn2cc[nH+]c2)CC1)C(N)=O ZINC001439631711 911266786 /nfs/dbraw/zinc/26/67/86/911266786.db2.gz GZWHZDIFSLMPIU-JTQLQIEISA-N 2 2 279.344 -0.615 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)NCC2(O)C[NH+](CCC3CC3)C2)C1 ZINC001440041960 911362172 /nfs/dbraw/zinc/36/21/72/911362172.db2.gz MCOOTSVWNFNEOI-CYBMUJFWSA-N 2 2 297.399 -0.720 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)NCC2(O)C[NH+](CCC3CC3)C2)C1 ZINC001440041960 911362192 /nfs/dbraw/zinc/36/21/92/911362192.db2.gz MCOOTSVWNFNEOI-CYBMUJFWSA-N 2 2 297.399 -0.720 20 0 CBADLP C[C@@H]([NH2+]CCO)[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001440126894 911388192 /nfs/dbraw/zinc/38/81/92/911388192.db2.gz SQVLFCIWAPVJPS-NEPJUHHUSA-N 2 2 280.372 -0.219 20 0 CBADLP C[C@@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]Cc1nnn(C)n1 ZINC001440824294 911521705 /nfs/dbraw/zinc/52/17/05/911521705.db2.gz CCPULQVRYZTYTN-VHSXEESVSA-N 2 2 283.380 -0.855 20 0 CBADLP CNC(=O)C[NH2+]CC(C)(C)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001440888341 911532191 /nfs/dbraw/zinc/53/21/91/911532191.db2.gz PQSFDIYOCGAEKQ-UHFFFAOYSA-N 2 2 295.387 -0.228 20 0 CBADLP C[C@H]([NH2+]CC(N)=O)[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001440992932 911576528 /nfs/dbraw/zinc/57/65/28/911576528.db2.gz OJEGBTTUISMPFM-QWRGUYRKSA-N 2 2 293.371 -0.203 20 0 CBADLP C[C@@H]([NH2+][C@@H](C)CN(C)C(=O)CCc1c[nH]c[nH+]1)C(N)=O ZINC001507083559 921672807 /nfs/dbraw/zinc/67/28/07/921672807.db2.gz UMIVBJZPWPTJMN-VHSXEESVSA-N 2 2 281.360 -0.347 20 0 CBADLP C[C@@H]([NH2+][C@@H](C)CN(C)C(=O)CCc1c[nH+]c[nH]1)C(N)=O ZINC001507083559 921672815 /nfs/dbraw/zinc/67/28/15/921672815.db2.gz UMIVBJZPWPTJMN-VHSXEESVSA-N 2 2 281.360 -0.347 20 0 CBADLP C[C@H](CN(C)C(=O)CCc1c[nH]c[nH+]1)[NH2+][C@@H](C)C(N)=O ZINC001507083560 921673264 /nfs/dbraw/zinc/67/32/64/921673264.db2.gz UMIVBJZPWPTJMN-ZJUUUORDSA-N 2 2 281.360 -0.347 20 0 CBADLP C[C@H](CN(C)C(=O)CCc1c[nH+]c[nH]1)[NH2+][C@@H](C)C(N)=O ZINC001507083560 921673273 /nfs/dbraw/zinc/67/32/73/921673273.db2.gz UMIVBJZPWPTJMN-ZJUUUORDSA-N 2 2 281.360 -0.347 20 0 CBADLP C[C@@H](CNC(=O)CCCn1cc[nH+]c1)[N@H+](C)[C@@H](C)C(N)=O ZINC001441024848 911586578 /nfs/dbraw/zinc/58/65/78/911586578.db2.gz NEWJNQRHHFIBOQ-RYUDHWBXSA-N 2 2 295.387 -0.026 20 0 CBADLP C[C@@H](CNC(=O)CCCn1cc[nH+]c1)[N@@H+](C)[C@@H](C)C(N)=O ZINC001441024848 911586591 /nfs/dbraw/zinc/58/65/91/911586591.db2.gz NEWJNQRHHFIBOQ-RYUDHWBXSA-N 2 2 295.387 -0.026 20 0 CBADLP NC(=O)C[N@@H+]1CCC[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001441048240 911594449 /nfs/dbraw/zinc/59/44/49/911594449.db2.gz JOBRAGVOHPKKHN-ZDUSSCGKSA-N 2 2 296.415 -0.072 20 0 CBADLP NC(=O)C[N@H+]1CCC[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001441048240 911594459 /nfs/dbraw/zinc/59/44/59/911594459.db2.gz JOBRAGVOHPKKHN-ZDUSSCGKSA-N 2 2 296.415 -0.072 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001441365714 911654722 /nfs/dbraw/zinc/65/47/22/911654722.db2.gz FCUFIQVRWZTLBD-DCAQKATOSA-N 2 2 293.371 -0.429 20 0 CBADLP C[C@@H](CN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1)[NH2+]CC(N)=O ZINC001507093142 921675330 /nfs/dbraw/zinc/67/53/30/921675330.db2.gz LQKMWNFYTFPFLQ-WDEREUQCSA-N 2 2 293.371 -0.633 20 0 CBADLP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)CCc2c[nH+]cn2C)C1)C(N)=O ZINC001441430665 911671020 /nfs/dbraw/zinc/67/10/20/911671020.db2.gz JSEPZHDQPIBPFP-GMTAPVOTSA-N 2 2 293.371 -0.537 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001441501530 911690045 /nfs/dbraw/zinc/69/00/45/911690045.db2.gz MONDIIAWAAUJNL-SDDRHHMPSA-N 2 2 293.371 -0.356 20 0 CBADLP CC[C@@H]([NH2+][C@H](C)CN(C)C(=O)Cc1[nH]c[nH+]c1C)C(N)=O ZINC001507146341 921688391 /nfs/dbraw/zinc/68/83/91/921688391.db2.gz DMOIKPCVFPXIEJ-MWLCHTKSSA-N 2 2 295.387 -0.039 20 0 CBADLP CNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001507150246 921691248 /nfs/dbraw/zinc/69/12/48/921691248.db2.gz XUOZOAASPFQLBB-VIFPVBQESA-N 2 2 281.360 -0.557 20 0 CBADLP CNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001441833987 911830895 /nfs/dbraw/zinc/83/08/95/911830895.db2.gz HYCGHVZRQNDFHN-GXSJLCMTSA-N 2 2 279.344 -0.723 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)[NH2+]CC(N)=O ZINC001441873214 911838994 /nfs/dbraw/zinc/83/89/94/911838994.db2.gz LUNWIRCPOHLAMP-VHSXEESVSA-N 2 2 279.344 -0.975 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)[NH2+]CC(N)=O ZINC001441873205 911840408 /nfs/dbraw/zinc/84/04/08/911840408.db2.gz LUNWIRCPOHLAMP-NXEZZACHSA-N 2 2 279.344 -0.975 20 0 CBADLP CC(C)N(C)C(=O)C[NH2+][C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001441990563 911885247 /nfs/dbraw/zinc/88/52/47/911885247.db2.gz ULEPWGGVVNQOFN-NSHDSACASA-N 2 2 295.387 -0.087 20 0 CBADLP COC[C@@H](C)[NH2+]C[C@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001442022409 911894396 /nfs/dbraw/zinc/89/43/96/911894396.db2.gz ONNZGSGOJHCOMM-MNOVXSKESA-N 2 2 284.360 -0.604 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC[C@H](C)[NH2+]Cc1cnn(C)n1 ZINC001442056960 911913779 /nfs/dbraw/zinc/91/37/79/911913779.db2.gz WOWJUXNBTRBVOL-JTQLQIEISA-N 2 2 291.359 -0.385 20 0 CBADLP COC[C@@H](O)C[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001442142307 911936599 /nfs/dbraw/zinc/93/65/99/911936599.db2.gz FBSDIVHUXJSDQP-YPMHNXCESA-N 2 2 296.371 -0.602 20 0 CBADLP C[N@H+](CCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)CC(N)=O ZINC001442433224 912013934 /nfs/dbraw/zinc/01/39/34/912013934.db2.gz OWDHWTVCEQUNSZ-NEPJUHHUSA-N 2 2 282.388 -0.463 20 0 CBADLP C[N@@H+](CCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)CC(N)=O ZINC001442433224 912013943 /nfs/dbraw/zinc/01/39/43/912013943.db2.gz OWDHWTVCEQUNSZ-NEPJUHHUSA-N 2 2 282.388 -0.463 20 0 CBADLP C[NH+](CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)CC(N)=O ZINC001442433224 912013966 /nfs/dbraw/zinc/01/39/66/912013966.db2.gz OWDHWTVCEQUNSZ-NEPJUHHUSA-N 2 2 282.388 -0.463 20 0 CBADLP C[NH+](CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21)CC(N)=O ZINC001442433224 912013984 /nfs/dbraw/zinc/01/39/84/912013984.db2.gz OWDHWTVCEQUNSZ-NEPJUHHUSA-N 2 2 282.388 -0.463 20 0 CBADLP C[C@H](O)C[N@H+](C)CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001442458346 912019613 /nfs/dbraw/zinc/01/96/13/912019613.db2.gz RPEHHJHNJHPPAB-RYUDHWBXSA-N 2 2 280.372 -0.126 20 0 CBADLP C[C@H](O)C[N@@H+](C)CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001442458346 912019628 /nfs/dbraw/zinc/01/96/28/912019628.db2.gz RPEHHJHNJHPPAB-RYUDHWBXSA-N 2 2 280.372 -0.126 20 0 CBADLP C[C@H](O)C[N@H+](C)CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001442458343 912021887 /nfs/dbraw/zinc/02/18/87/912021887.db2.gz RPEHHJHNJHPPAB-NWDGAFQWSA-N 2 2 280.372 -0.126 20 0 CBADLP C[C@H](O)C[N@@H+](C)CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001442458343 912021898 /nfs/dbraw/zinc/02/18/98/912021898.db2.gz RPEHHJHNJHPPAB-NWDGAFQWSA-N 2 2 280.372 -0.126 20 0 CBADLP COc1nccc(C[N@H+](C)CCNC(=O)CC[NH+](C)C)n1 ZINC001442505930 912034052 /nfs/dbraw/zinc/03/40/52/912034052.db2.gz XKUKNMAYOSPIQP-UHFFFAOYSA-N 2 2 295.387 -0.015 20 0 CBADLP COc1nccc(C[N@@H+](C)CCNC(=O)CC[NH+](C)C)n1 ZINC001442505930 912034073 /nfs/dbraw/zinc/03/40/73/912034073.db2.gz XKUKNMAYOSPIQP-UHFFFAOYSA-N 2 2 295.387 -0.015 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NCC[N@H+](C)CCn1cncn1 ZINC001442580976 912054542 /nfs/dbraw/zinc/05/45/42/912054542.db2.gz YVVGJMQISDAVPQ-UHFFFAOYSA-N 2 2 291.359 -0.698 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NCC[N@@H+](C)CCn1cncn1 ZINC001442580976 912054558 /nfs/dbraw/zinc/05/45/58/912054558.db2.gz YVVGJMQISDAVPQ-UHFFFAOYSA-N 2 2 291.359 -0.698 20 0 CBADLP CC[N@H+](CCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C)CC(N)=O ZINC001442756567 912097444 /nfs/dbraw/zinc/09/74/44/912097444.db2.gz PYSYCKABHXLONB-TXEJJXNPSA-N 2 2 284.404 -0.217 20 0 CBADLP CC[N@@H+](CCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C)CC(N)=O ZINC001442756567 912097464 /nfs/dbraw/zinc/09/74/64/912097464.db2.gz PYSYCKABHXLONB-TXEJJXNPSA-N 2 2 284.404 -0.217 20 0 CBADLP CC[NH+](CCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)CC(N)=O ZINC001442756567 912097479 /nfs/dbraw/zinc/09/74/79/912097479.db2.gz PYSYCKABHXLONB-TXEJJXNPSA-N 2 2 284.404 -0.217 20 0 CBADLP CC[NH+](CCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)CC(N)=O ZINC001442756567 912097496 /nfs/dbraw/zinc/09/74/96/912097496.db2.gz PYSYCKABHXLONB-TXEJJXNPSA-N 2 2 284.404 -0.217 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC001442812314 912109156 /nfs/dbraw/zinc/10/91/56/912109156.db2.gz RGRAABDRIZJVBO-GFCCVEGCSA-N 2 2 280.372 -0.074 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC001442812314 912109162 /nfs/dbraw/zinc/10/91/62/912109162.db2.gz RGRAABDRIZJVBO-GFCCVEGCSA-N 2 2 280.372 -0.074 20 0 CBADLP C[C@H]([NH2+]CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(N)=O ZINC001443079712 912148921 /nfs/dbraw/zinc/14/89/21/912148921.db2.gz QCTBFEJTVWMNDS-IVZWLZJFSA-N 2 2 279.344 -0.565 20 0 CBADLP C[C@@H]([NH2+]CCN(C)C(=O)CCCn1cc[nH+]c1)C(N)=O ZINC001443096536 912155400 /nfs/dbraw/zinc/15/54/00/912155400.db2.gz GLLYRFNDBRAKDQ-LLVKDONJSA-N 2 2 281.360 -0.415 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001443098050 912156172 /nfs/dbraw/zinc/15/61/72/912156172.db2.gz IAESYBUMXJLGHV-JTQLQIEISA-N 2 2 295.387 -0.130 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001443263515 912172570 /nfs/dbraw/zinc/17/25/70/912172570.db2.gz FGJWYLACJXVFCK-RYUDHWBXSA-N 2 2 293.371 -0.415 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CC[C@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001443263515 912172586 /nfs/dbraw/zinc/17/25/86/912172586.db2.gz FGJWYLACJXVFCK-RYUDHWBXSA-N 2 2 293.371 -0.415 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CC[C@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001443263506 912174099 /nfs/dbraw/zinc/17/40/99/912174099.db2.gz FGJWYLACJXVFCK-NEPJUHHUSA-N 2 2 293.371 -0.415 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CC[C@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001443263506 912174106 /nfs/dbraw/zinc/17/41/06/912174106.db2.gz FGJWYLACJXVFCK-NEPJUHHUSA-N 2 2 293.371 -0.415 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CC[C@@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001443263519 912174440 /nfs/dbraw/zinc/17/44/40/912174440.db2.gz FGJWYLACJXVFCK-VXGBXAGGSA-N 2 2 293.371 -0.415 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CC[C@@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001443263519 912174446 /nfs/dbraw/zinc/17/44/46/912174446.db2.gz FGJWYLACJXVFCK-VXGBXAGGSA-N 2 2 293.371 -0.415 20 0 CBADLP C[C@@H](C(N)=O)[N@H+](C)C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001443322700 912181442 /nfs/dbraw/zinc/18/14/42/912181442.db2.gz BRSPFPGQXDTALX-WDEREUQCSA-N 2 2 293.371 -0.394 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+](C)C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001443322700 912181454 /nfs/dbraw/zinc/18/14/54/912181454.db2.gz BRSPFPGQXDTALX-WDEREUQCSA-N 2 2 293.371 -0.394 20 0 CBADLP C[C@@H](C(N)=O)[N@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001443322697 912185608 /nfs/dbraw/zinc/18/56/08/912185608.db2.gz BRSPFPGQXDTALX-QWRGUYRKSA-N 2 2 293.371 -0.394 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001443322697 912185615 /nfs/dbraw/zinc/18/56/15/912185615.db2.gz BRSPFPGQXDTALX-QWRGUYRKSA-N 2 2 293.371 -0.394 20 0 CBADLP CC[NH+](CC)C[C@@H](F)C(=O)NC1C[NH+](CCCO)C1 ZINC001443476290 912206408 /nfs/dbraw/zinc/20/64/08/912206408.db2.gz XQEGUTKWPONBPX-GFCCVEGCSA-N 2 2 275.368 -0.151 20 0 CBADLP CN(C)C(=O)/C=C/C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC001470006798 915439741 /nfs/dbraw/zinc/43/97/41/915439741.db2.gz LYZUBXZAFJLBFW-BQYQJAHWSA-N 2 2 284.404 -0.370 20 0 CBADLP CN(C)C(=O)/C=C/C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC001470006798 915439754 /nfs/dbraw/zinc/43/97/54/915439754.db2.gz LYZUBXZAFJLBFW-BQYQJAHWSA-N 2 2 284.404 -0.370 20 0 CBADLP NC(=O)NC(=O)CCC[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC001473732439 915851133 /nfs/dbraw/zinc/85/11/33/915851133.db2.gz SCUJMUKMFMDIIK-UHFFFAOYSA-N 2 2 277.328 -0.003 20 0 CBADLP NC(=O)NC(=O)CCC[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC001473732439 915851150 /nfs/dbraw/zinc/85/11/50/915851150.db2.gz SCUJMUKMFMDIIK-UHFFFAOYSA-N 2 2 277.328 -0.003 20 0 CBADLP Cn1c[nH+]cc1CC[N@@H+]1C[C@H](CO)[C@H](CCO)C1 ZINC001473892454 915878823 /nfs/dbraw/zinc/87/88/23/915878823.db2.gz KANPDRIEPARQIK-VXGBXAGGSA-N 2 2 253.346 -0.115 20 0 CBADLP Cn1c[nH+]cc1CC[N@H+]1C[C@H](CO)[C@H](CCO)C1 ZINC001473892454 915878838 /nfs/dbraw/zinc/87/88/38/915878838.db2.gz KANPDRIEPARQIK-VXGBXAGGSA-N 2 2 253.346 -0.115 20 0 CBADLP CC[N@H+](C)CCC(=O)N(C)C[C@H]1CC[NH+]1[C@@H]1CCNC1=O ZINC001479256086 916103928 /nfs/dbraw/zinc/10/39/28/916103928.db2.gz MWJVHKMCPRCJDX-CHWSQXEVSA-N 2 2 296.415 -0.251 20 0 CBADLP CC[N@@H+](C)CCC(=O)N(C)C[C@H]1CC[NH+]1[C@@H]1CCNC1=O ZINC001479256086 916103939 /nfs/dbraw/zinc/10/39/39/916103939.db2.gz MWJVHKMCPRCJDX-CHWSQXEVSA-N 2 2 296.415 -0.251 20 0 CBADLP CC[NH+](C)CCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@@H]1CCNC1=O ZINC001479256086 916103954 /nfs/dbraw/zinc/10/39/54/916103954.db2.gz MWJVHKMCPRCJDX-CHWSQXEVSA-N 2 2 296.415 -0.251 20 0 CBADLP CC[NH+](C)CCC(=O)N(C)C[C@H]1CC[N@H+]1[C@@H]1CCNC1=O ZINC001479256086 916103961 /nfs/dbraw/zinc/10/39/61/916103961.db2.gz MWJVHKMCPRCJDX-CHWSQXEVSA-N 2 2 296.415 -0.251 20 0 CBADLP C[C@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001479409483 916129178 /nfs/dbraw/zinc/12/91/78/916129178.db2.gz UVPXJPIJPRQZJD-SRVKXCTJSA-N 2 2 280.372 -0.172 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@@H+](CCOCCO)C1 ZINC001479971793 916246226 /nfs/dbraw/zinc/24/62/26/916246226.db2.gz FACQITHLUSTXNY-GFCCVEGCSA-N 2 2 282.344 -0.918 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@H+](CCOCCO)C1 ZINC001479971793 916246242 /nfs/dbraw/zinc/24/62/42/916246242.db2.gz FACQITHLUSTXNY-GFCCVEGCSA-N 2 2 282.344 -0.918 20 0 CBADLP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1)C(=O)N(C)C ZINC001480159671 916312788 /nfs/dbraw/zinc/31/27/88/916312788.db2.gz JLRYLNGDDPIDRI-GMTAPVOTSA-N 2 2 293.371 -0.334 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@H]([NH2+]CCOCCO)C1 ZINC001480169188 916319341 /nfs/dbraw/zinc/31/93/41/916319341.db2.gz NPAZOSWPQGWNJP-HAQNSBGRSA-N 2 2 296.371 -0.494 20 0 CBADLP Cn1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)CCC[NH+](C)C)C2)n1 ZINC001480221592 916332446 /nfs/dbraw/zinc/33/24/46/916332446.db2.gz ZZZQBCQGCFOFLB-PHIMTYICSA-N 2 2 295.391 -0.711 20 0 CBADLP COCC[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001480233114 916339194 /nfs/dbraw/zinc/33/91/94/916339194.db2.gz VNVXJHJZVPPCQO-PHIMTYICSA-N 2 2 266.345 -0.154 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@H](C[NH2+]CCO)C1 ZINC001480300203 916352739 /nfs/dbraw/zinc/35/27/39/916352739.db2.gz KNJHXCAWTKOGBV-GFCCVEGCSA-N 2 2 280.372 -0.217 20 0 CBADLP C[C@@H]([NH2+]C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1)C(N)=O ZINC001480307568 916352972 /nfs/dbraw/zinc/35/29/72/916352972.db2.gz UXTKEOPUPJKTRM-VXGBXAGGSA-N 2 2 293.371 -0.415 20 0 CBADLP C[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+][C@@H]1CCNC1=O ZINC001480475523 916432632 /nfs/dbraw/zinc/43/26/32/916432632.db2.gz RHHDYTATBKNPCW-GXSJLCMTSA-N 2 2 279.344 -0.675 20 0 CBADLP C[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH2+][C@@H]1CCNC1=O ZINC001480475523 916432643 /nfs/dbraw/zinc/43/26/43/916432643.db2.gz RHHDYTATBKNPCW-GXSJLCMTSA-N 2 2 279.344 -0.675 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NC[C@H](C)[NH2+]Cc1nncn1C ZINC001480501867 916443756 /nfs/dbraw/zinc/44/37/56/916443756.db2.gz DDMHYFVJBAOVDD-JTQLQIEISA-N 2 2 291.359 -0.385 20 0 CBADLP CC[NH2+][C@@H](C)CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001480507357 916445742 /nfs/dbraw/zinc/44/57/42/916445742.db2.gz MCTBJGGEXSLBHQ-MJBXVCDLSA-N 2 2 299.415 -0.020 20 0 CBADLP CC[C@@H](C(=O)NC[C@H](C)[NH2+]CCS(C)(=O)=O)[NH+](C)C ZINC001480575201 916479184 /nfs/dbraw/zinc/47/91/84/916479184.db2.gz QPWMDHZNWBFPJF-QWRGUYRKSA-N 2 2 293.433 -0.535 20 0 CBADLP CNC(=O)C[NH2+][C@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001480578539 916481883 /nfs/dbraw/zinc/48/18/83/916481883.db2.gz AHNYVSJNJDFOKA-MRVPVSSYSA-N 2 2 267.333 -0.899 20 0 CBADLP CCN1CC[C@H]([NH2+][C@@H](C)CNC(=O)Cn2cc[nH+]c2)C1=O ZINC001480605543 916490559 /nfs/dbraw/zinc/49/05/59/916490559.db2.gz XXVXCFKEIWONKG-RYUDHWBXSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CCn1cccn1 ZINC001480602681 916491659 /nfs/dbraw/zinc/49/16/59/916491659.db2.gz DBVWKMHBCFWJEG-GFCCVEGCSA-N 2 2 276.344 -0.126 20 0 CBADLP CC(C)(C(=O)N1CC[C@H](C[NH2+]CCO)C1)[NH+]1CCOCC1 ZINC001480672088 916515998 /nfs/dbraw/zinc/51/59/98/916515998.db2.gz RCADIGOFMJBQJU-CYBMUJFWSA-N 2 2 299.415 -0.472 20 0 CBADLP C[C@H](CCNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]Cc1cnon1 ZINC001480758201 916529855 /nfs/dbraw/zinc/52/98/55/916529855.db2.gz LJEYUFAPGICPMR-ZYHUDNBSSA-N 2 2 297.359 -0.615 20 0 CBADLP C[C@H](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]Cc1cnon1 ZINC001480758201 916529875 /nfs/dbraw/zinc/52/98/75/916529875.db2.gz LJEYUFAPGICPMR-ZYHUDNBSSA-N 2 2 297.359 -0.615 20 0 CBADLP C[N@H+](CCNC(=O)Cn1cc[nH+]c1)CCN1CCCC1=O ZINC001480952912 916651248 /nfs/dbraw/zinc/65/12/48/916651248.db2.gz DSAFORLHVCESTK-UHFFFAOYSA-N 2 2 293.371 -0.447 20 0 CBADLP C[N@@H+](CCNC(=O)Cn1cc[nH+]c1)CCN1CCCC1=O ZINC001480952912 916651262 /nfs/dbraw/zinc/65/12/62/916651262.db2.gz DSAFORLHVCESTK-UHFFFAOYSA-N 2 2 293.371 -0.447 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NCC[NH+](C)CC(=O)NC1CC1 ZINC001480951734 916651467 /nfs/dbraw/zinc/65/14/67/916651467.db2.gz LJPLIADUXVKBAG-UHFFFAOYSA-N 2 2 284.404 -0.347 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NCC[NH+](C)CC(=O)NC1CC1 ZINC001480951734 916651483 /nfs/dbraw/zinc/65/14/83/916651483.db2.gz LJPLIADUXVKBAG-UHFFFAOYSA-N 2 2 284.404 -0.347 20 0 CBADLP CC(C)[NH+](C)CC(=O)NCC[N@H+](C)CC(=O)NC1CC1 ZINC001480951734 916651497 /nfs/dbraw/zinc/65/14/97/916651497.db2.gz LJPLIADUXVKBAG-UHFFFAOYSA-N 2 2 284.404 -0.347 20 0 CBADLP CC(C)[NH+](C)CC(=O)NCC[N@@H+](C)CC(=O)NC1CC1 ZINC001480951734 916651508 /nfs/dbraw/zinc/65/15/08/916651508.db2.gz LJPLIADUXVKBAG-UHFFFAOYSA-N 2 2 284.404 -0.347 20 0 CBADLP CCCNC(=O)C[N@H+](C)CCNC(=O)Cn1cc[nH+]c1C ZINC001480947168 916652676 /nfs/dbraw/zinc/65/26/76/916652676.db2.gz LJBDUOZZYJVLCA-UHFFFAOYSA-N 2 2 295.387 -0.234 20 0 CBADLP CCCNC(=O)C[N@@H+](C)CCNC(=O)Cn1cc[nH+]c1C ZINC001480947168 916652684 /nfs/dbraw/zinc/65/26/84/916652684.db2.gz LJBDUOZZYJVLCA-UHFFFAOYSA-N 2 2 295.387 -0.234 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NCC[N@@H+]([C@H](C)C(N)=O)C1CC1 ZINC001481196884 916750209 /nfs/dbraw/zinc/75/02/09/916750209.db2.gz REPRGHPPWQNBKM-SNVBAGLBSA-N 2 2 293.371 -0.354 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NCC[N@H+]([C@H](C)C(N)=O)C1CC1 ZINC001481196884 916750219 /nfs/dbraw/zinc/75/02/19/916750219.db2.gz REPRGHPPWQNBKM-SNVBAGLBSA-N 2 2 293.371 -0.354 20 0 CBADLP CC(C)NC(=O)C[NH2+]CCN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001481237896 916782219 /nfs/dbraw/zinc/78/22/19/916782219.db2.gz RJQHDPRCRODSOT-UHFFFAOYSA-N 2 2 295.387 -0.085 20 0 CBADLP CNC(=O)C[NH2+]CCN(C)C(=O)CCc1c[nH+]cn1C ZINC001481311023 916814486 /nfs/dbraw/zinc/81/44/86/916814486.db2.gz XFPYBVWAYUKNMS-UHFFFAOYSA-N 2 2 281.360 -0.853 20 0 CBADLP CN(CC[NH+]1CCN(CCF)CC1)C(=O)CC[NH+](C)C ZINC001481470930 916845166 /nfs/dbraw/zinc/84/51/66/916845166.db2.gz KHGRATVDXGUCNF-UHFFFAOYSA-N 2 2 288.411 -0.016 20 0 CBADLP C[N@H+](CCO)C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001481508872 916855123 /nfs/dbraw/zinc/85/51/23/916855123.db2.gz MTCVEIHUAJLFIQ-LBPRGKRZSA-N 2 2 266.345 -0.344 20 0 CBADLP C[N@@H+](CCO)C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001481508872 916855132 /nfs/dbraw/zinc/85/51/32/916855132.db2.gz MTCVEIHUAJLFIQ-LBPRGKRZSA-N 2 2 266.345 -0.344 20 0 CBADLP CCOCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001481533452 916857206 /nfs/dbraw/zinc/85/72/06/916857206.db2.gz WASVNMDAJBOWEE-KBPBESRZSA-N 2 2 299.415 -0.066 20 0 CBADLP CCOCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001481533452 916857225 /nfs/dbraw/zinc/85/72/25/916857225.db2.gz WASVNMDAJBOWEE-KBPBESRZSA-N 2 2 299.415 -0.066 20 0 CBADLP CCOCC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001481533452 916857241 /nfs/dbraw/zinc/85/72/41/916857241.db2.gz WASVNMDAJBOWEE-KBPBESRZSA-N 2 2 299.415 -0.066 20 0 CBADLP CCOCC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001481533452 916857258 /nfs/dbraw/zinc/85/72/58/916857258.db2.gz WASVNMDAJBOWEE-KBPBESRZSA-N 2 2 299.415 -0.066 20 0 CBADLP CCOCC[NH+]1CC(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001481601577 916903477 /nfs/dbraw/zinc/90/34/77/916903477.db2.gz BBVNASVDSSZSMF-LLVKDONJSA-N 2 2 255.362 -0.225 20 0 CBADLP CCOCC[NH+]1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001481601577 916903488 /nfs/dbraw/zinc/90/34/88/916903488.db2.gz BBVNASVDSSZSMF-LLVKDONJSA-N 2 2 255.362 -0.225 20 0 CBADLP O=C(CCCn1cc[nH+]c1)N[C@H]1CC[N@@H+](CCO)C1 ZINC001481697204 916954827 /nfs/dbraw/zinc/95/48/27/916954827.db2.gz LYRSGFMZDCOOKE-LBPRGKRZSA-N 2 2 266.345 -0.154 20 0 CBADLP O=C(CCCn1cc[nH+]c1)N[C@H]1CC[N@H+](CCO)C1 ZINC001481697204 916954840 /nfs/dbraw/zinc/95/48/40/916954840.db2.gz LYRSGFMZDCOOKE-LBPRGKRZSA-N 2 2 266.345 -0.154 20 0 CBADLP CCN(C(=O)C[NH+]1CC[C@@H](C)C1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001481773857 916978859 /nfs/dbraw/zinc/97/88/59/916978859.db2.gz DTPDJWHJDWYXCH-OLZOCXBDSA-N 2 2 296.415 -0.264 20 0 CBADLP CCN(C(=O)C[NH+]1CC[C@@H](C)C1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001481773857 916978866 /nfs/dbraw/zinc/97/88/66/916978866.db2.gz DTPDJWHJDWYXCH-OLZOCXBDSA-N 2 2 296.415 -0.264 20 0 CBADLP CCN(C(=O)C[N@@H+]1CC[C@@H](C)C1)[C@H]1CC[NH+](CC(N)=O)C1 ZINC001481773857 916978874 /nfs/dbraw/zinc/97/88/74/916978874.db2.gz DTPDJWHJDWYXCH-OLZOCXBDSA-N 2 2 296.415 -0.264 20 0 CBADLP CCN(C(=O)C[N@H+]1CC[C@@H](C)C1)[C@H]1CC[NH+](CC(N)=O)C1 ZINC001481773857 916978882 /nfs/dbraw/zinc/97/88/82/916978882.db2.gz DTPDJWHJDWYXCH-OLZOCXBDSA-N 2 2 296.415 -0.264 20 0 CBADLP CC[C@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)[NH2+]CCO ZINC001481825957 916997219 /nfs/dbraw/zinc/99/72/19/916997219.db2.gz MEJQSSMKJJNXCK-VXGBXAGGSA-N 2 2 280.372 -0.078 20 0 CBADLP CC[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1nncn1C ZINC001481883155 917015844 /nfs/dbraw/zinc/01/58/44/917015844.db2.gz BLRLSYUJNORWLJ-NSHDSACASA-N 2 2 291.359 -0.304 20 0 CBADLP CC[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CC(=O)NC ZINC001481885657 917017360 /nfs/dbraw/zinc/01/73/60/917017360.db2.gz UPBNTXFUCGDUQZ-JTQLQIEISA-N 2 2 267.333 -0.887 20 0 CBADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+]Cc1cnon1 ZINC001482175625 917074758 /nfs/dbraw/zinc/07/47/58/917074758.db2.gz NXFCLOZZAPTKHG-SNVBAGLBSA-N 2 2 278.316 -0.192 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001482340665 917132626 /nfs/dbraw/zinc/13/26/26/917132626.db2.gz LLUOPTLJEHYDJM-WDEREUQCSA-N 2 2 295.387 -0.229 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001482340665 917132634 /nfs/dbraw/zinc/13/26/34/917132634.db2.gz LLUOPTLJEHYDJM-WDEREUQCSA-N 2 2 295.387 -0.229 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)Cn1cc[nH+]c1 ZINC001482372529 917141225 /nfs/dbraw/zinc/14/12/25/917141225.db2.gz DOISNDSXJJIJRQ-GHMZBOCLSA-N 2 2 281.360 -0.546 20 0 CBADLP CC(C)[C@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]CCO ZINC001482545394 917158171 /nfs/dbraw/zinc/15/81/71/917158171.db2.gz QPKJYSKSGHPZSS-LBPRGKRZSA-N 2 2 268.361 -0.004 20 0 CBADLP Cc1cnc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CCC[N@H+]2C)o1 ZINC001482716302 917223455 /nfs/dbraw/zinc/22/34/55/917223455.db2.gz MMNVZMSCWYMAIX-NEPJUHHUSA-N 2 2 296.371 -0.356 20 0 CBADLP Cc1cnc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CCC[N@@H+]2C)o1 ZINC001482716302 917223468 /nfs/dbraw/zinc/22/34/68/917223468.db2.gz MMNVZMSCWYMAIX-NEPJUHHUSA-N 2 2 296.371 -0.356 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H](O)C[NH2+]Cc1ccns1 ZINC001482780920 917279727 /nfs/dbraw/zinc/27/97/27/917279727.db2.gz DWUPVAVLUVTGOU-SECBINFHSA-N 2 2 295.368 -0.324 20 0 CBADLP O=C(C[NH+]1CCCC1)NC[C@@H](O)C[NH2+]Cc1csnn1 ZINC001482793827 917286349 /nfs/dbraw/zinc/28/63/49/917286349.db2.gz SRLYASHVVGLGNN-NSHDSACASA-N 2 2 299.400 -0.799 20 0 CBADLP C[C@H](CC[NH2+]Cc1cnon1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001482822491 917303336 /nfs/dbraw/zinc/30/33/36/917303336.db2.gz VVKGXRLEUQGVDH-PWSUYJOCSA-N 2 2 297.359 -0.615 20 0 CBADLP C[C@H](CC[NH2+]Cc1cnon1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001482822491 917303352 /nfs/dbraw/zinc/30/33/52/917303352.db2.gz VVKGXRLEUQGVDH-PWSUYJOCSA-N 2 2 297.359 -0.615 20 0 CBADLP CNC(=O)C[NH2+]CC[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001482859429 917315077 /nfs/dbraw/zinc/31/50/77/917315077.db2.gz KNTKPGKAXGNRAL-NSHDSACASA-N 2 2 281.360 -0.496 20 0 CBADLP C[C@H](CC[NH2+][C@H]1CCN(C)C1=O)NC(=O)Cc1[nH]cc[nH+]1 ZINC001482883336 917321851 /nfs/dbraw/zinc/32/18/51/917321851.db2.gz BYLVLKBLESMNPS-MNOVXSKESA-N 2 2 293.371 -0.333 20 0 CBADLP C[C@@H](CC[NH2+]CC(=O)N(C)C)NC(=O)Cc1c[nH+]cn1C ZINC001482887339 917323603 /nfs/dbraw/zinc/32/36/03/917323603.db2.gz AEVSKRJISPVQNP-NSHDSACASA-N 2 2 295.387 -0.465 20 0 CBADLP CNC(=O)C[NH2+]CC[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001482890414 917326468 /nfs/dbraw/zinc/32/64/68/917326468.db2.gz MDPFWVKHAVMTQP-SECBINFHSA-N 2 2 281.360 -0.509 20 0 CBADLP C[C@H](CC[NH2+][C@@H](C)C(=O)N(C)C)NC(=O)Cn1cc[nH+]c1 ZINC001482906514 917327628 /nfs/dbraw/zinc/32/76/28/917327628.db2.gz ZWKXWPNYANJRQP-NEPJUHHUSA-N 2 2 295.387 -0.156 20 0 CBADLP C[C@@H](CC[NH2+][C@H]1CCCNC1=O)NC(=O)Cn1cc[nH+]c1 ZINC001482906486 917327909 /nfs/dbraw/zinc/32/79/09/917327909.db2.gz ZKVSLZDJPJEJHQ-RYUDHWBXSA-N 2 2 293.371 -0.354 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)CC[NH2+]Cc1nnn(C)n1 ZINC001482900581 917330428 /nfs/dbraw/zinc/33/04/28/917330428.db2.gz DUOXSJIZRWFDAW-NSHDSACASA-N 2 2 297.407 -0.465 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N[C@@H](C)CC[NH2+]Cc1nnn(C)n1 ZINC001482900581 917330443 /nfs/dbraw/zinc/33/04/43/917330443.db2.gz DUOXSJIZRWFDAW-NSHDSACASA-N 2 2 297.407 -0.465 20 0 CBADLP C[C@H](C[NH2+]Cc1nccn1C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001483118552 917416032 /nfs/dbraw/zinc/41/60/32/917416032.db2.gz XWBBUOQGQARKPA-NEPJUHHUSA-N 2 2 295.387 -0.655 20 0 CBADLP C[C@H](C[NH2+]Cc1nccn1C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001483118552 917416047 /nfs/dbraw/zinc/41/60/47/917416047.db2.gz XWBBUOQGQARKPA-NEPJUHHUSA-N 2 2 295.387 -0.655 20 0 CBADLP CC(C)NC(=O)C[NH2+]C[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001483135164 917429518 /nfs/dbraw/zinc/42/95/18/917429518.db2.gz UVPAZSNYQUUBJO-LLVKDONJSA-N 2 2 295.387 -0.039 20 0 CBADLP CC(C)NC(=O)C[NH2+]C[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001483135164 917429523 /nfs/dbraw/zinc/42/95/23/917429523.db2.gz UVPAZSNYQUUBJO-LLVKDONJSA-N 2 2 295.387 -0.039 20 0 CBADLP C[C@H](C[NH2+]CC(=O)N(C)C)NC(=O)CCc1[nH+]ccn1C ZINC001483151429 917439452 /nfs/dbraw/zinc/43/94/52/917439452.db2.gz GUHSUCOHISEKJZ-LLVKDONJSA-N 2 2 295.387 -0.465 20 0 CBADLP CCCNC(=O)C[NH2+]C[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001483170816 917447589 /nfs/dbraw/zinc/44/75/89/917447589.db2.gz UNBRSMSFRPTLCJ-SNVBAGLBSA-N 2 2 281.360 -0.427 20 0 CBADLP C[C@@H](C[N@H+](C)CCO)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001483349241 917539804 /nfs/dbraw/zinc/53/98/04/917539804.db2.gz LTXGULJJZSWEFX-HBNTYKKESA-N 2 2 266.345 -0.058 20 0 CBADLP C[C@@H](C[N@@H+](C)CCO)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001483349241 917539820 /nfs/dbraw/zinc/53/98/20/917539820.db2.gz LTXGULJJZSWEFX-HBNTYKKESA-N 2 2 266.345 -0.058 20 0 CBADLP C[C@@H](C[N@H+](C)CCO)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001483349241 917539839 /nfs/dbraw/zinc/53/98/39/917539839.db2.gz LTXGULJJZSWEFX-HBNTYKKESA-N 2 2 266.345 -0.058 20 0 CBADLP C[C@@H](C[N@@H+](C)CCO)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001483349241 917539854 /nfs/dbraw/zinc/53/98/54/917539854.db2.gz LTXGULJJZSWEFX-HBNTYKKESA-N 2 2 266.345 -0.058 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+](C)C[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001483407435 917555677 /nfs/dbraw/zinc/55/56/77/917555677.db2.gz LUPKXEKEHINYSR-JQWIXIFHSA-N 2 2 295.387 -0.337 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+](C)C[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001483407435 917555689 /nfs/dbraw/zinc/55/56/89/917555689.db2.gz LUPKXEKEHINYSR-JQWIXIFHSA-N 2 2 295.387 -0.337 20 0 CBADLP C[C@@H](O)C[NH2+]C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001483589902 917601984 /nfs/dbraw/zinc/60/19/84/917601984.db2.gz JUEWSGMVAOVRNF-BXKDBHETSA-N 2 2 266.345 -0.183 20 0 CBADLP C[C@@H](O)C[NH2+]C[C@H](NC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001483589905 917604036 /nfs/dbraw/zinc/60/40/36/917604036.db2.gz JUEWSGMVAOVRNF-SKDRFNHKSA-N 2 2 266.345 -0.183 20 0 CBADLP C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001483675579 917629484 /nfs/dbraw/zinc/62/94/84/917629484.db2.gz FVGSCCQIMIOUGH-OLZOCXBDSA-N 2 2 298.431 -0.005 20 0 CBADLP C[C@H](C(=O)N(C)C)[N@H+]1CC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001483675579 917629493 /nfs/dbraw/zinc/62/94/93/917629493.db2.gz FVGSCCQIMIOUGH-OLZOCXBDSA-N 2 2 298.431 -0.005 20 0 CBADLP C[C@H](O)C[N@@H+]1CC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001483695871 917643332 /nfs/dbraw/zinc/64/33/32/917643332.db2.gz SQRNUXFFGJICNV-QWRGUYRKSA-N 2 2 266.345 -0.466 20 0 CBADLP C[C@H](O)C[N@H+]1CC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001483695871 917643337 /nfs/dbraw/zinc/64/33/37/917643337.db2.gz SQRNUXFFGJICNV-QWRGUYRKSA-N 2 2 266.345 -0.466 20 0 CBADLP CC[C@@H]([NH2+]C1(CNC(=O)Cc2c[nH]c[nH+]2)CC1)C(N)=O ZINC001483770711 917675550 /nfs/dbraw/zinc/67/55/50/917675550.db2.gz DESMEPDKMVFHBA-SNVBAGLBSA-N 2 2 279.344 -0.546 20 0 CBADLP C[C@@]1(C[NH2+]CC(N)=O)CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001484119028 917739261 /nfs/dbraw/zinc/73/92/61/917739261.db2.gz JULYVVMDSIKYAN-ZDUSSCGKSA-N 2 2 279.344 -0.734 20 0 CBADLP CO[C@H](C)C[N@@H+]1CC[C@@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001484255046 917797564 /nfs/dbraw/zinc/79/75/64/917797564.db2.gz VCMJWIDHCOGNQS-TZMCWYRMSA-N 2 2 296.371 -0.529 20 0 CBADLP CO[C@H](C)C[N@H+]1CC[C@@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001484255046 917797577 /nfs/dbraw/zinc/79/75/77/917797577.db2.gz VCMJWIDHCOGNQS-TZMCWYRMSA-N 2 2 296.371 -0.529 20 0 CBADLP CC[N@H+](C)CCC(=O)NCC1(O)C[NH+]([C@@H](C)COC)C1 ZINC001484302288 917823741 /nfs/dbraw/zinc/82/37/41/917823741.db2.gz FZPGCLUKCQAQOU-LBPRGKRZSA-N 2 2 287.404 -0.474 20 0 CBADLP CC[N@@H+](C)CCC(=O)NCC1(O)C[NH+]([C@@H](C)COC)C1 ZINC001484302288 917823752 /nfs/dbraw/zinc/82/37/52/917823752.db2.gz FZPGCLUKCQAQOU-LBPRGKRZSA-N 2 2 287.404 -0.474 20 0 CBADLP CC[NH+]1CC(O)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001484310083 917828026 /nfs/dbraw/zinc/82/80/26/917828026.db2.gz UYBYCQCNVAZCDN-UHFFFAOYSA-N 2 2 252.318 -0.626 20 0 CBADLP C[N@@H+]1CC[C@@H](C(=O)NCC2(O)C[NH+](CCCF)C2)C1 ZINC001484309885 917828664 /nfs/dbraw/zinc/82/86/64/917828664.db2.gz CHMGOZBWASXJQU-LLVKDONJSA-N 2 2 273.352 -0.539 20 0 CBADLP C[N@H+]1CC[C@@H](C(=O)NCC2(O)C[NH+](CCCF)C2)C1 ZINC001484309885 917828677 /nfs/dbraw/zinc/82/86/77/917828677.db2.gz CHMGOZBWASXJQU-LLVKDONJSA-N 2 2 273.352 -0.539 20 0 CBADLP C[C@@H](O)C[NH+]1CC(O)(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001484311793 917829035 /nfs/dbraw/zinc/82/90/35/917829035.db2.gz LJLPSHHZDRNWSL-CYBMUJFWSA-N 2 2 299.415 -0.594 20 0 CBADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C[NH2+]CC(N)=O ZINC001484386157 917837211 /nfs/dbraw/zinc/83/72/11/917837211.db2.gz YVMQZZAJQUWLGB-MNOVXSKESA-N 2 2 279.344 -0.948 20 0 CBADLP NC(=O)C[NH2+]CC[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001484542978 917886676 /nfs/dbraw/zinc/88/66/76/917886676.db2.gz HHIOGSKKOTYFBN-JTQLQIEISA-N 2 2 279.344 -0.734 20 0 CBADLP CNC(=O)C[NH2+]C1(CNC(=O)CCc2c[nH]c[nH+]2)CCC1 ZINC001484636569 917902349 /nfs/dbraw/zinc/90/23/49/917902349.db2.gz GALMGFDKFMQYLO-UHFFFAOYSA-N 2 2 293.371 -0.283 20 0 CBADLP C[C@@H](C(N)=O)[N@H+](C)CCCN(C)C(=O)Cn1cc[nH+]c1 ZINC001484769795 917937828 /nfs/dbraw/zinc/93/78/28/917937828.db2.gz LPWSPSHQLKJSMR-NSHDSACASA-N 2 2 281.360 -0.463 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+](C)CCCN(C)C(=O)Cn1cc[nH+]c1 ZINC001484769795 917937837 /nfs/dbraw/zinc/93/78/37/917937837.db2.gz LPWSPSHQLKJSMR-NSHDSACASA-N 2 2 281.360 -0.463 20 0 CBADLP C[C@@H](O)C[NH+]1CC2(C1)C[C@H](NC(=O)CC[NH+](C)C)CO2 ZINC001484801266 917940905 /nfs/dbraw/zinc/94/09/05/917940905.db2.gz NEQNPBKXSCETHU-NEPJUHHUSA-N 2 2 285.388 -0.722 20 0 CBADLP CC[NH2+]CC1(O)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001484959561 917971650 /nfs/dbraw/zinc/97/16/50/917971650.db2.gz HHMNXZHBUSMMRZ-UHFFFAOYSA-N 2 2 266.345 -0.085 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N1CCC(O)(C[NH2+]CCF)CC1 ZINC001484962465 917974996 /nfs/dbraw/zinc/97/49/96/917974996.db2.gz XJSSWJRAKHPSGP-UHFFFAOYSA-N 2 2 284.335 -0.135 20 0 CBADLP C[C@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)[NH2+]CCn1cncn1 ZINC001485234802 918039029 /nfs/dbraw/zinc/03/90/29/918039029.db2.gz ODUNBBLFFIZZMY-RYUDHWBXSA-N 2 2 291.359 -0.342 20 0 CBADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[N@@H+](C)C[C@H](C)O ZINC001485355575 918089201 /nfs/dbraw/zinc/08/92/01/918089201.db2.gz GGEPJXPBIVNHFF-ZJUUUORDSA-N 2 2 254.334 -0.231 20 0 CBADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[N@H+](C)C[C@H](C)O ZINC001485355575 918089218 /nfs/dbraw/zinc/08/92/18/918089218.db2.gz GGEPJXPBIVNHFF-ZJUUUORDSA-N 2 2 254.334 -0.231 20 0 CBADLP COCC[NH+]1CC(CCO)(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001485415429 918116298 /nfs/dbraw/zinc/11/62/98/918116298.db2.gz IBDICCTYGOWKLH-UHFFFAOYSA-N 2 2 299.415 -0.472 20 0 CBADLP CC[C@@H]([NH2+][C@H](C)CN(C)C(=O)Cc1c[nH+]c[nH]1)C(N)=O ZINC001485925105 918229080 /nfs/dbraw/zinc/22/90/80/918229080.db2.gz ADGKWMILZDHKOO-MWLCHTKSSA-N 2 2 281.360 -0.347 20 0 CBADLP C[NH+]1CCC(C(=O)NC[C@@H](CO)[NH2+]Cc2ccon2)CC1 ZINC001486030082 918323503 /nfs/dbraw/zinc/32/35/03/918323503.db2.gz GOIMULQCQGZGFR-ZDUSSCGKSA-N 2 2 296.371 -0.417 20 0 CBADLP COCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001486038122 918331460 /nfs/dbraw/zinc/33/14/60/918331460.db2.gz WVMCOHUMPXSFNY-IJLUTSLNSA-N 2 2 296.371 -0.763 20 0 CBADLP CCC[NH2+][C@H](CO)CNC(=O)Cc1c[nH+]cn1C ZINC001486053309 918349043 /nfs/dbraw/zinc/34/90/43/918349043.db2.gz YJZODZFETOFRDL-JTQLQIEISA-N 2 2 254.334 -0.561 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@@H](CO)[NH2+]C[C@@H]1CCCOC1 ZINC001486067060 918353492 /nfs/dbraw/zinc/35/34/92/918353492.db2.gz YNRIETGVCCOBBV-STQMWFEESA-N 2 2 296.371 -0.624 20 0 CBADLP C[C@H]1[C@H]([NH2+]CCCO)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001486089962 918364918 /nfs/dbraw/zinc/36/49/18/918364918.db2.gz DHCDFFZICMAEJZ-WDEREUQCSA-N 2 2 266.345 -0.086 20 0 CBADLP C[C@@H]1[C@@H]([NH2+]CCCO)CCN1C(=O)Cn1cc[nH+]c1 ZINC001486095523 918365261 /nfs/dbraw/zinc/36/52/61/918365261.db2.gz KATNIBCIOOATDC-NEPJUHHUSA-N 2 2 266.345 -0.156 20 0 CBADLP CN(C[C@@H](O)C[NH2+]CCF)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001486287322 918411758 /nfs/dbraw/zinc/41/17/58/918411758.db2.gz YHNCAPSEVNXNEK-RYUDHWBXSA-N 2 2 298.362 -0.176 20 0 CBADLP C[C@@H](O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)Cc1c[nH+]cn1C ZINC001488683774 918755941 /nfs/dbraw/zinc/75/59/41/918755941.db2.gz MSQSNUDBOWXLIT-VXGBXAGGSA-N 2 2 280.372 -0.124 20 0 CBADLP C[C@@H](O)C[N@H+]1CC[C@@H]1CN(C)C(=O)Cc1c[nH+]cn1C ZINC001488683774 918755947 /nfs/dbraw/zinc/75/59/47/918755947.db2.gz MSQSNUDBOWXLIT-VXGBXAGGSA-N 2 2 280.372 -0.124 20 0 CBADLP O=C(NC[C@@H]([NH2+]CCO)C1CC1)[C@H]1CCn2c[nH+]cc2C1 ZINC001490682286 918958873 /nfs/dbraw/zinc/95/88/73/918958873.db2.gz JCTZUWJDLAIGKF-GXTWGEPZSA-N 2 2 292.383 -0.078 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001491024019 919008257 /nfs/dbraw/zinc/00/82/57/919008257.db2.gz FLDQWLABBDJRTD-JLLWLGSASA-N 2 2 293.371 -0.286 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001491024019 919008270 /nfs/dbraw/zinc/00/82/70/919008270.db2.gz FLDQWLABBDJRTD-JLLWLGSASA-N 2 2 293.371 -0.286 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CCCC[C@@H]1C[NH2+]CCO ZINC001491265349 919098969 /nfs/dbraw/zinc/09/89/69/919098969.db2.gz VIWJJNHFNSLMOI-GFCCVEGCSA-N 2 2 266.345 -0.085 20 0 CBADLP C[C@@H](O)C[NH2+]C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001491844527 919289245 /nfs/dbraw/zinc/28/92/45/919289245.db2.gz SJELPZOCLQPNMV-MNOVXSKESA-N 2 2 266.345 -0.229 20 0 CBADLP C[C@@H](CCNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@@H](C)C(N)=O ZINC001492090181 919323030 /nfs/dbraw/zinc/32/30/30/919323030.db2.gz LSXZEGNGWYQEIV-IUCAKERBSA-N 2 2 267.333 -0.690 20 0 CBADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)[C@@H]1CCNC1=O ZINC001492251829 919379078 /nfs/dbraw/zinc/37/90/78/919379078.db2.gz YCMBCZAVKPGXBE-OLZOCXBDSA-N 2 2 296.415 -0.204 20 0 CBADLP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)[C@@H]1CCNC1=O ZINC001492251829 919379093 /nfs/dbraw/zinc/37/90/93/919379093.db2.gz YCMBCZAVKPGXBE-OLZOCXBDSA-N 2 2 296.415 -0.204 20 0 CBADLP CC(C)[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)[C@@H]1CCNC1=O ZINC001492251829 919379106 /nfs/dbraw/zinc/37/91/06/919379106.db2.gz YCMBCZAVKPGXBE-OLZOCXBDSA-N 2 2 296.415 -0.204 20 0 CBADLP CC(C)[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)[C@@H]1CCNC1=O ZINC001492251829 919379121 /nfs/dbraw/zinc/37/91/21/919379121.db2.gz YCMBCZAVKPGXBE-OLZOCXBDSA-N 2 2 296.415 -0.204 20 0 CBADLP CCNC(=O)C[N@H+](C)CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001492290973 919382357 /nfs/dbraw/zinc/38/23/57/919382357.db2.gz BBTCAPGZQYUQMQ-ZDUSSCGKSA-N 2 2 286.420 -0.243 20 0 CBADLP CCNC(=O)C[N@@H+](C)CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001492290973 919382370 /nfs/dbraw/zinc/38/23/70/919382370.db2.gz BBTCAPGZQYUQMQ-ZDUSSCGKSA-N 2 2 286.420 -0.243 20 0 CBADLP CC[C@H](C(N)=O)[N@H+](C)CCNC(=O)Cn1c[nH+]cc1C ZINC001492343075 919398397 /nfs/dbraw/zinc/39/83/97/919398397.db2.gz ZVKZZVURGRYKII-LLVKDONJSA-N 2 2 281.360 -0.497 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+](C)CCNC(=O)Cn1c[nH+]cc1C ZINC001492343075 919398413 /nfs/dbraw/zinc/39/84/13/919398413.db2.gz ZVKZZVURGRYKII-LLVKDONJSA-N 2 2 281.360 -0.497 20 0 CBADLP CNC(=O)C[N@H+](C)CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001492880103 919438587 /nfs/dbraw/zinc/43/85/87/919438587.db2.gz ZQVUFMRGNCGEAO-AWEZNQCLSA-N 2 2 298.431 -0.099 20 0 CBADLP CNC(=O)C[N@@H+](C)CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001492880103 919438600 /nfs/dbraw/zinc/43/86/00/919438600.db2.gz ZQVUFMRGNCGEAO-AWEZNQCLSA-N 2 2 298.431 -0.099 20 0 CBADLP C[N@H+](CCNC(=O)C[NH+]1CCCC1)CC(=O)NCC1CC1 ZINC001492857058 919440114 /nfs/dbraw/zinc/44/01/14/919440114.db2.gz JKOKUWLTYBEDPP-UHFFFAOYSA-N 2 2 296.415 -0.344 20 0 CBADLP C[N@@H+](CCNC(=O)C[NH+]1CCCC1)CC(=O)NCC1CC1 ZINC001492857058 919440123 /nfs/dbraw/zinc/44/01/23/919440123.db2.gz JKOKUWLTYBEDPP-UHFFFAOYSA-N 2 2 296.415 -0.344 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H]1CC[N@@H+](CCO)C1 ZINC001493250135 919507884 /nfs/dbraw/zinc/50/78/84/919507884.db2.gz MZKUUZUZGUTGGS-SNVBAGLBSA-N 2 2 252.318 -0.617 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H]1CC[N@H+](CCO)C1 ZINC001493250135 919507897 /nfs/dbraw/zinc/50/78/97/919507897.db2.gz MZKUUZUZGUTGGS-SNVBAGLBSA-N 2 2 252.318 -0.617 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001493240359 919508771 /nfs/dbraw/zinc/50/87/71/919508771.db2.gz KDAGNZYGYZHZMX-ZYHUDNBSSA-N 2 2 293.371 -0.346 20 0 CBADLP CC[C@H](C(N)=O)[N@H+]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001493240359 919508780 /nfs/dbraw/zinc/50/87/80/919508780.db2.gz KDAGNZYGYZHZMX-ZYHUDNBSSA-N 2 2 293.371 -0.346 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NCC[N@@H+](CCCO)C1CC1 ZINC001493416753 919541929 /nfs/dbraw/zinc/54/19/29/919541929.db2.gz AYUNBANOKDSPEB-UHFFFAOYSA-N 2 2 266.345 -0.085 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NCC[N@H+](CCCO)C1CC1 ZINC001493416753 919541948 /nfs/dbraw/zinc/54/19/48/919541948.db2.gz AYUNBANOKDSPEB-UHFFFAOYSA-N 2 2 266.345 -0.085 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N(C)CC[NH2+]Cc1cn(C)nn1 ZINC001493629967 919594902 /nfs/dbraw/zinc/59/49/02/919594902.db2.gz GOSQCUNIIYVPRQ-UHFFFAOYSA-N 2 2 291.359 -0.432 20 0 CBADLP CNC(=O)C[NH2+]CCN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001493708600 919608844 /nfs/dbraw/zinc/60/88/44/919608844.db2.gz AUDLKSBYNLHUHW-NSHDSACASA-N 2 2 281.360 -0.372 20 0 CBADLP CC(C)N(C)C(=O)C[NH2+]CCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001493741436 919612582 /nfs/dbraw/zinc/61/25/82/919612582.db2.gz BAIORBXYEHMHCA-UHFFFAOYSA-N 2 2 295.387 -0.133 20 0 CBADLP C[C@H]([NH2+]CC(N)=O)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001493845446 919633427 /nfs/dbraw/zinc/63/34/27/919633427.db2.gz YEHOOMVHKKZAQC-JTQLQIEISA-N 2 2 293.371 -0.346 20 0 CBADLP CNC(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001494181687 919665481 /nfs/dbraw/zinc/66/54/81/919665481.db2.gz LDVSCBXKYYFING-LBPRGKRZSA-N 2 2 293.371 -0.591 20 0 CBADLP CNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001494181687 919665492 /nfs/dbraw/zinc/66/54/92/919665492.db2.gz LDVSCBXKYYFING-LBPRGKRZSA-N 2 2 293.371 -0.591 20 0 CBADLP C[C@H](O)C[NH+]1CC(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001494575376 919743224 /nfs/dbraw/zinc/74/32/24/919743224.db2.gz CNFZCGUJIRDYSV-NSHDSACASA-N 2 2 266.345 -0.298 20 0 CBADLP CC[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CCCO ZINC001495119600 919868771 /nfs/dbraw/zinc/86/87/71/919868771.db2.gz ZELFYHWRQFSEAG-LLVKDONJSA-N 2 2 254.334 -0.250 20 0 CBADLP C[C@@H]([NH2+]C[C@@H](C)CNC(=O)Cc1c[nH+]cn1C)C(N)=O ZINC001495786276 919943312 /nfs/dbraw/zinc/94/33/12/919943312.db2.gz PEZZOEZTSRFNLN-NXEZZACHSA-N 2 2 281.360 -0.822 20 0 CBADLP Cc1nnc(C[NH2+]C[C@H](C)CNC(=O)Cn2cc[nH+]c2)[nH]1 ZINC001495811656 919953080 /nfs/dbraw/zinc/95/30/80/919953080.db2.gz CMRKXORLYZBUIL-JTQLQIEISA-N 2 2 291.359 -0.148 20 0 CBADLP CC(C)NC(=O)C[NH2+]C[C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001495816031 919953501 /nfs/dbraw/zinc/95/35/01/919953501.db2.gz VFHVZLLWRGPRQY-GFCCVEGCSA-N 2 2 295.387 -0.250 20 0 CBADLP COCCC[N@@H+]1CCO[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001495887941 919977830 /nfs/dbraw/zinc/97/78/30/919977830.db2.gz ZHRFHWZVCCYHEL-CYBMUJFWSA-N 2 2 296.371 -0.263 20 0 CBADLP COCCC[N@H+]1CCO[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001495887941 919977841 /nfs/dbraw/zinc/97/78/41/919977841.db2.gz ZHRFHWZVCCYHEL-CYBMUJFWSA-N 2 2 296.371 -0.263 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001496084875 920023379 /nfs/dbraw/zinc/02/33/79/920023379.db2.gz YOFCFCIXACAYTD-MNOVXSKESA-N 2 2 295.387 -0.087 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001496084875 920023395 /nfs/dbraw/zinc/02/33/95/920023395.db2.gz YOFCFCIXACAYTD-MNOVXSKESA-N 2 2 295.387 -0.087 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001496191416 920039661 /nfs/dbraw/zinc/03/96/61/920039661.db2.gz HVTAWVBZCFMHBT-SECBINFHSA-N 2 2 267.333 -0.865 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001496219137 920041626 /nfs/dbraw/zinc/04/16/26/920041626.db2.gz USFUGQLRJNUCHY-MWLCHTKSSA-N 2 2 295.387 -0.168 20 0 CBADLP C[C@@H]([NH2+]CC(N)=O)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001496458330 920072778 /nfs/dbraw/zinc/07/27/78/920072778.db2.gz CTSCFDPMQRKVEO-VXGBXAGGSA-N 2 2 293.371 -0.415 20 0 CBADLP C[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)[C@@H]1C[NH2+]CC(N)=O ZINC001496489088 920077402 /nfs/dbraw/zinc/07/74/02/920077402.db2.gz RIVXSRYKSCNZNU-WDEREUQCSA-N 2 2 293.371 -0.346 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+](C)CCN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001496828368 920136570 /nfs/dbraw/zinc/13/65/70/920136570.db2.gz GIPNSGRROLGLKJ-LBPRGKRZSA-N 2 2 295.387 -0.085 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001496828368 920136579 /nfs/dbraw/zinc/13/65/79/920136579.db2.gz GIPNSGRROLGLKJ-LBPRGKRZSA-N 2 2 295.387 -0.085 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@@H](O)C[NH2+]Cc1nccs1 ZINC001497127013 920257022 /nfs/dbraw/zinc/25/70/22/920257022.db2.gz QMMZVUYUNJOZGL-JTQLQIEISA-N 2 2 295.368 -0.394 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@H](O)C[NH2+]C/C=C\Cl ZINC001497127421 920258029 /nfs/dbraw/zinc/25/80/29/920258029.db2.gz UBGWEONGMBOIAB-JWXWKVPASA-N 2 2 272.736 -0.298 20 0 CBADLP CC[NH2+]C[C@@H](O)CNC(=O)CCCn1cc[nH+]c1 ZINC001497128069 920258189 /nfs/dbraw/zinc/25/81/89/920258189.db2.gz YJEWCWZOTLIQCS-LLVKDONJSA-N 2 2 254.334 -0.250 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]CC[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001497336686 920284263 /nfs/dbraw/zinc/28/42/63/920284263.db2.gz IBJDHHCSNLXCRS-QWRGUYRKSA-N 2 2 281.360 -0.498 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]CC[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001497336687 920285289 /nfs/dbraw/zinc/28/52/89/920285289.db2.gz IBJDHHCSNLXCRS-WDEREUQCSA-N 2 2 281.360 -0.498 20 0 CBADLP CN1CC[C@@H]([NH2+]C/C=C/CNC(=O)Cc2[nH]cc[nH+]2)C1=O ZINC001497713278 920374821 /nfs/dbraw/zinc/37/48/21/920374821.db2.gz GBDVAEZVIXMMEE-KXMPLOMGSA-N 2 2 291.355 -0.555 20 0 CBADLP C[C@H](C[NH2+]CCO)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001497817972 920403142 /nfs/dbraw/zinc/40/31/42/920403142.db2.gz OPRONETXFSIXDQ-ZWNOBZJWSA-N 2 2 295.387 -0.123 20 0 CBADLP C[C@H](C[NH2+]CCO)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001497817972 920403149 /nfs/dbraw/zinc/40/31/49/920403149.db2.gz OPRONETXFSIXDQ-ZWNOBZJWSA-N 2 2 295.387 -0.123 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001497963272 920430130 /nfs/dbraw/zinc/43/01/30/920430130.db2.gz RMXAQNHZXVINLY-ZJUUUORDSA-N 2 2 281.360 -0.809 20 0 CBADLP C[C@H](C[NH2+]Cc1cnnn1C)NC(=O)Cn1cc[nH+]c1 ZINC001497997530 920436476 /nfs/dbraw/zinc/43/64/76/920436476.db2.gz VNKKILIXBXYIJW-SNVBAGLBSA-N 2 2 277.332 -0.694 20 0 CBADLP C[C@@H](C[NH2+][C@H]1CCNC1=O)NC(=O)CCc1c[nH]c[nH+]1 ZINC001498052392 920465234 /nfs/dbraw/zinc/46/52/34/920465234.db2.gz SSGUISKXQYHBOX-ONGXEEELSA-N 2 2 279.344 -0.675 20 0 CBADLP C[C@@H](C[NH2+][C@H]1CCNC1=O)NC(=O)CCc1c[nH+]c[nH]1 ZINC001498052392 920465252 /nfs/dbraw/zinc/46/52/52/920465252.db2.gz SSGUISKXQYHBOX-ONGXEEELSA-N 2 2 279.344 -0.675 20 0 CBADLP CCN(CC)C(=O)C[NH2+]C[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001498148528 920499032 /nfs/dbraw/zinc/49/90/32/920499032.db2.gz SPOOKIOTASYQSW-NSHDSACASA-N 2 2 295.387 -0.085 20 0 CBADLP C[C@@H](C[NH2+]Cc1ccon1)NC(=O)CC[NH+]1CCOCC1 ZINC001498143186 920499695 /nfs/dbraw/zinc/49/96/95/920499695.db2.gz OFHYBKPWTLIYBL-LBPRGKRZSA-N 2 2 296.371 -0.009 20 0 CBADLP CC[C@@H]([NH2+]C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C1CC1)C(N)=O ZINC001498845317 920646011 /nfs/dbraw/zinc/64/60/11/920646011.db2.gz JAQBZGWARZSDSI-GHMZBOCLSA-N 2 2 293.371 -0.300 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H](NC(=O)Cc1c[nH+]cn1C)C1CC1 ZINC001498851487 920647378 /nfs/dbraw/zinc/64/73/78/920647378.db2.gz YECSLFMLWNZYKW-GFCCVEGCSA-N 2 2 293.371 -0.807 20 0 CBADLP CCC[N@H+](C)CC(=O)NC[C@H]1CC[NH+]1[C@@H](C)C(=O)N(C)C ZINC001499107038 920702637 /nfs/dbraw/zinc/70/26/37/920702637.db2.gz OOEZQIRUYZQEMH-QWHCGFSZSA-N 2 2 298.431 -0.005 20 0 CBADLP CCC[N@@H+](C)CC(=O)NC[C@H]1CC[NH+]1[C@@H](C)C(=O)N(C)C ZINC001499107038 920702650 /nfs/dbraw/zinc/70/26/50/920702650.db2.gz OOEZQIRUYZQEMH-QWHCGFSZSA-N 2 2 298.431 -0.005 20 0 CBADLP CCC[NH+](C)CC(=O)NC[C@H]1CC[N@@H+]1[C@@H](C)C(=O)N(C)C ZINC001499107038 920702663 /nfs/dbraw/zinc/70/26/63/920702663.db2.gz OOEZQIRUYZQEMH-QWHCGFSZSA-N 2 2 298.431 -0.005 20 0 CBADLP CCC[NH+](C)CC(=O)NC[C@H]1CC[N@H+]1[C@@H](C)C(=O)N(C)C ZINC001499107038 920702673 /nfs/dbraw/zinc/70/26/73/920702673.db2.gz OOEZQIRUYZQEMH-QWHCGFSZSA-N 2 2 298.431 -0.005 20 0 CBADLP COCC[N@@H+]1CC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001499138468 920706575 /nfs/dbraw/zinc/70/65/75/920706575.db2.gz UNFXTVYNUMMXNM-NSHDSACASA-N 2 2 252.318 -0.280 20 0 CBADLP COCC[N@H+]1CC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001499138468 920706589 /nfs/dbraw/zinc/70/65/89/920706589.db2.gz UNFXTVYNUMMXNM-NSHDSACASA-N 2 2 252.318 -0.280 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+]1CC[C@](C)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001500296746 920828427 /nfs/dbraw/zinc/82/84/27/920828427.db2.gz WSCUXBLUPVASHE-RISCZKNCSA-N 2 2 293.371 -0.402 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+]1CC[C@](C)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001500296746 920828446 /nfs/dbraw/zinc/82/84/46/920828446.db2.gz WSCUXBLUPVASHE-RISCZKNCSA-N 2 2 293.371 -0.402 20 0 CBADLP CCOCC[NH+]1CC(O)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001500914621 920917837 /nfs/dbraw/zinc/91/78/37/920917837.db2.gz FHQJEEODFQGZOY-UHFFFAOYSA-N 2 2 299.415 -0.472 20 0 CBADLP C[C@@H]([NH2+]CC(N)=O)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001501079450 920947671 /nfs/dbraw/zinc/94/76/71/920947671.db2.gz CSZOTBHYRJXEJH-NXEZZACHSA-N 2 2 279.344 -0.736 20 0 CBADLP C[C@@H](O)C[N@@H+]1CCOC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001501821896 921064715 /nfs/dbraw/zinc/06/47/15/921064715.db2.gz LKWRVDNHMDQCQT-NEPJUHHUSA-N 2 2 273.377 -0.864 20 0 CBADLP C[C@@H](O)C[N@H+]1CCOC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001501821896 921064725 /nfs/dbraw/zinc/06/47/25/921064725.db2.gz LKWRVDNHMDQCQT-NEPJUHHUSA-N 2 2 273.377 -0.864 20 0 CBADLP C[C@@H](NC(=O)[C@@H](C)[C@H](C)[NH3+])[C@H]1CN(C)CC[N@@H+]1C ZINC001515356302 922231799 /nfs/dbraw/zinc/23/17/99/922231799.db2.gz BEUOGUYVEMGIAA-NNYUYHANSA-N 2 2 256.394 -0.280 20 0 CBADLP C[C@@H](NC(=O)[C@@H](C)[C@H](C)[NH3+])[C@H]1CN(C)CC[N@H+]1C ZINC001515356302 922231811 /nfs/dbraw/zinc/23/18/11/922231811.db2.gz BEUOGUYVEMGIAA-NNYUYHANSA-N 2 2 256.394 -0.280 20 0 CBADLP C[NH+](C)C1(C(=O)N2CCN(C3C[NH+](C)C3)CC2)CC1 ZINC001520660336 922314590 /nfs/dbraw/zinc/31/45/90/922314590.db2.gz PJQYONYHRPUMHE-UHFFFAOYSA-N 2 2 266.389 -0.461 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1C[C@@H]1C[NH3+] ZINC001521940941 922392326 /nfs/dbraw/zinc/39/23/26/922392326.db2.gz VBMZALFZKHRMOC-VXGBXAGGSA-N 3 2 256.394 -0.419 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1C[C@@H]1C[NH3+] ZINC001521940941 922392343 /nfs/dbraw/zinc/39/23/43/922392343.db2.gz VBMZALFZKHRMOC-VXGBXAGGSA-N 3 2 256.394 -0.419 20 0 CBADLP CC(C)c1[nH+]ccn1CC(=O)N1CC[NH2+]C[C@H]1CO ZINC001522418777 922414727 /nfs/dbraw/zinc/41/47/27/922414727.db2.gz SRDHPJIQJYUHDQ-NSHDSACASA-N 2 2 266.345 -0.201 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCCNC(=O)CC[NH+](C)C ZINC001522781582 922517234 /nfs/dbraw/zinc/51/72/34/922517234.db2.gz FIQWBXDREGPLLV-UHFFFAOYSA-N 2 2 281.360 -0.555 20 0 CBADLP C[NH+](C)CCC(=O)NCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001522802451 922522259 /nfs/dbraw/zinc/52/22/59/922522259.db2.gz OAJUXHXBDBTHSK-UHFFFAOYSA-N 2 2 267.333 -0.864 20 0 CBADLP C[C@@H](C(=O)N1CC[C@@H](CC[NH3+])C1)N1CC[NH2+]CC1=O ZINC001523019740 922560853 /nfs/dbraw/zinc/56/08/53/922560853.db2.gz XYYYQXSTBIXDOT-WDEREUQCSA-N 2 2 268.361 -0.996 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CC[C@](O)(C[NH+](C)C)C1 ZINC001528688087 922847989 /nfs/dbraw/zinc/84/79/89/922847989.db2.gz OQTADGUVPYDRBK-ZDUSSCGKSA-N 2 2 266.345 -0.512 20 0 CBADLP C[NH+](C)CCC(=O)N1CC[C@@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001534996795 923170041 /nfs/dbraw/zinc/17/00/41/923170041.db2.gz XOJSLBDVIKTIEE-LLVKDONJSA-N 2 2 293.371 -0.379 20 0 CBADLP CC[N@@H+]1CC[C@@H]1C(=O)N[C@@H](C)[C@H]1C[NH+](C)CCN1C ZINC001544138705 923298094 /nfs/dbraw/zinc/29/80/94/923298094.db2.gz DPMNEDVLSXWLGU-YNEHKIRRSA-N 2 2 268.405 -0.169 20 0 CBADLP CC[N@H+]1CC[C@@H]1C(=O)N[C@@H](C)[C@H]1C[NH+](C)CCN1C ZINC001544138705 923298107 /nfs/dbraw/zinc/29/81/07/923298107.db2.gz DPMNEDVLSXWLGU-YNEHKIRRSA-N 2 2 268.405 -0.169 20 0 CBADLP CC[NH+]1CC[C@@H]1C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCN1C ZINC001544138705 923298119 /nfs/dbraw/zinc/29/81/19/923298119.db2.gz DPMNEDVLSXWLGU-YNEHKIRRSA-N 2 2 268.405 -0.169 20 0 CBADLP CC[NH+]1CC[C@@H]1C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC001544138705 923298129 /nfs/dbraw/zinc/29/81/29/923298129.db2.gz DPMNEDVLSXWLGU-YNEHKIRRSA-N 2 2 268.405 -0.169 20 0 CBADLP Nc1cc(N2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)nc[nH+]1 ZINC001548517578 923360478 /nfs/dbraw/zinc/36/04/78/923360478.db2.gz AVHODLILGLMPIH-NSHDSACASA-N 2 2 290.371 -0.151 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@]12C[NH2+]C[C@H]1CCO2 ZINC001548548196 923372769 /nfs/dbraw/zinc/37/27/69/923372769.db2.gz NGOZWUOLZRQSME-LOWVWBTDSA-N 2 2 264.329 -0.234 20 0 CBADLP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001548550952 923376515 /nfs/dbraw/zinc/37/65/15/923376515.db2.gz YYKQTCPPSAVTIN-OLZOCXBDSA-N 2 2 292.383 -0.053 20 0 CBADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C[C@@H](O)C[NH3+])CC1 ZINC001548555601 923380429 /nfs/dbraw/zinc/38/04/29/923380429.db2.gz TYWDFFZCRBJFFB-GXTWGEPZSA-N 2 2 292.383 -0.004 20 0 CBADLP O=C(C1=NO[C@]2(C1)CCC[NH2+]C2)N1CC[NH+](CCO)CC1 ZINC001548557038 923380943 /nfs/dbraw/zinc/38/09/43/923380943.db2.gz FCHRFLSQWPUHMR-AWEZNQCLSA-N 2 2 296.371 -0.979 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)[C@]23C[NH2+]C[C@H]2CCO3)[C@@H](C)CO1 ZINC001548569007 923389454 /nfs/dbraw/zinc/38/94/54/923389454.db2.gz KWAOLODJDXXMOJ-XPCVCDNBSA-N 2 2 297.399 -0.410 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)[C@]23C[NH2+]C[C@H]2CCO3)[C@@H](C)CO1 ZINC001548569007 923389463 /nfs/dbraw/zinc/38/94/63/923389463.db2.gz KWAOLODJDXXMOJ-XPCVCDNBSA-N 2 2 297.399 -0.410 20 0 CBADLP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001548567776 923389720 /nfs/dbraw/zinc/38/97/20/923389720.db2.gz AOOALZFQNNXZEY-XQQFMLRXSA-N 2 2 285.388 -0.864 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@@H]2C[N@@H+]3CCN2C[C@@H]3C)CC1 ZINC001548647795 923429775 /nfs/dbraw/zinc/42/97/75/923429775.db2.gz XLOFECARPLTJCT-KBPBESRZSA-N 2 2 296.415 -0.835 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@@H]2C[N@H+]3CCN2C[C@@H]3C)CC1 ZINC001548647795 923429785 /nfs/dbraw/zinc/42/97/85/923429785.db2.gz XLOFECARPLTJCT-KBPBESRZSA-N 2 2 296.415 -0.835 20 0 CBADLP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCCc1c[nH+]cn1C ZINC001548683256 923449706 /nfs/dbraw/zinc/44/97/06/923449706.db2.gz UWVJWUBDXHHSBU-DGCLKSJQSA-N 2 2 277.372 -0.533 20 0 CBADLP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCCc1c[nH+]cn1C ZINC001548683256 923449718 /nfs/dbraw/zinc/44/97/18/923449718.db2.gz UWVJWUBDXHHSBU-DGCLKSJQSA-N 2 2 277.372 -0.533 20 0 CBADLP O=C(c1n[nH]c2c1C[NH2+]CC2)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC001549044983 923533143 /nfs/dbraw/zinc/53/31/43/923533143.db2.gz NEYGLMHZWYNADQ-NEPJUHHUSA-N 2 2 291.355 -0.742 20 0 CBADLP O=C(c1n[nH]c2c1C[NH2+]CC2)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC001549044984 923535017 /nfs/dbraw/zinc/53/50/17/923535017.db2.gz NEYGLMHZWYNADQ-NWDGAFQWSA-N 2 2 291.355 -0.742 20 0 CBADLP O=C1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2[N@@H+]2CC[C@@H](O)C2)N1 ZINC001549077162 923553612 /nfs/dbraw/zinc/55/36/12/923553612.db2.gz XZPLPJUORKBXRI-FDYHWXHSSA-N 2 2 267.373 -0.158 20 0 CBADLP O=C1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2[N@H+]2CC[C@@H](O)C2)N1 ZINC001549077162 923553625 /nfs/dbraw/zinc/55/36/25/923553625.db2.gz XZPLPJUORKBXRI-FDYHWXHSSA-N 2 2 267.373 -0.158 20 0 CBADLP O=C1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2[N@@H+]2CC[C@H](O)C2)N1 ZINC001549077165 923554304 /nfs/dbraw/zinc/55/43/04/923554304.db2.gz XZPLPJUORKBXRI-YVECIDJPSA-N 2 2 267.373 -0.158 20 0 CBADLP O=C1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2[N@H+]2CC[C@H](O)C2)N1 ZINC001549077165 923554315 /nfs/dbraw/zinc/55/43/15/923554315.db2.gz XZPLPJUORKBXRI-YVECIDJPSA-N 2 2 267.373 -0.158 20 0 CBADLP [NH3+]C[C@@]12CCC[C@H]1C[N@H+](CC(=O)N1CCNC(=O)C1)C2 ZINC001549113286 923556344 /nfs/dbraw/zinc/55/63/44/923556344.db2.gz HWMXVRIRTGGUOZ-SMDDNHRTSA-N 2 2 280.372 -0.994 20 0 CBADLP [NH3+]C[C@@]12CCC[C@H]1C[N@@H+](CC(=O)N1CCNC(=O)C1)C2 ZINC001549113286 923556361 /nfs/dbraw/zinc/55/63/61/923556361.db2.gz HWMXVRIRTGGUOZ-SMDDNHRTSA-N 2 2 280.372 -0.994 20 0 CBADLP [NH3+]C[C@]12CCC[C@@H]1C[N@H+](CC(=O)N1CCNC(=O)C1)C2 ZINC001549113284 923558282 /nfs/dbraw/zinc/55/82/82/923558282.db2.gz HWMXVRIRTGGUOZ-RISCZKNCSA-N 2 2 280.372 -0.994 20 0 CBADLP [NH3+]C[C@]12CCC[C@@H]1C[N@@H+](CC(=O)N1CCNC(=O)C1)C2 ZINC001549113284 923558293 /nfs/dbraw/zinc/55/82/93/923558293.db2.gz HWMXVRIRTGGUOZ-RISCZKNCSA-N 2 2 280.372 -0.994 20 0 CBADLP Cn1c[nH+]cc1CN1C[C@@H](n2ccnn2)[C@@H]([NH+](C)C)C1 ZINC001549604099 923616025 /nfs/dbraw/zinc/61/60/25/923616025.db2.gz DVAOOAFARDLXKO-QWHCGFSZSA-N 2 2 275.360 -0.001 20 0 CBADLP C[NH+](C)[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1n1ccnn1 ZINC001549671767 923626396 /nfs/dbraw/zinc/62/63/96/923626396.db2.gz OMSCBEKWOVPKKG-GHMZBOCLSA-N 2 2 289.343 -0.443 20 0 CBADLP O=C(C[C@H]1C[NH2+]CCO1)Nc1cn[nH]c1[C@@H]1CC[NH2+]C1 ZINC001549747158 923641731 /nfs/dbraw/zinc/64/17/31/923641731.db2.gz RLOKYBTVCLVTCJ-ZJUUUORDSA-N 2 2 279.344 -0.196 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001550060628 923661746 /nfs/dbraw/zinc/66/17/46/923661746.db2.gz PDVILKFLYSGRBX-LBPRGKRZSA-N 2 2 277.372 -0.233 20 0 CBADLP [NH3+][C@H]1C[C@H]1C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC001550100963 923681164 /nfs/dbraw/zinc/68/11/64/923681164.db2.gz ZLZXUUYTZNEJGK-OLZOCXBDSA-N 2 2 275.356 -0.490 20 0 CBADLP CN1CC[NH+]([C@@H]2CCN(C(=O)C(C)(C)C[NH3+])C2)CC1 ZINC001550117355 923689800 /nfs/dbraw/zinc/68/98/00/923689800.db2.gz YSVHJJMHLZYXKO-GFCCVEGCSA-N 2 2 268.405 -0.180 20 0 CBADLP CC[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@@]12COCCN1C(=O)COC2 ZINC001550474937 923730183 /nfs/dbraw/zinc/73/01/83/923730183.db2.gz WFEUCWJDPDPDDR-YDHLFZDLSA-N 2 2 297.399 -0.266 20 0 CBADLP O=C1CC[C@H]([NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)[C@@H](C2CC[NH2+]CC2)N1 ZINC001550914525 923755132 /nfs/dbraw/zinc/75/51/32/923755132.db2.gz VLDADWNKLPDPQL-PWNZVWSESA-N 3 2 298.406 -0.077 20 0 CBADLP O=C(C[N@@H+]1CCOC[C@@H]1C[C@H]1CCCO1)N1CC[NH2+]CC1 ZINC001551395111 923771918 /nfs/dbraw/zinc/77/19/18/923771918.db2.gz KRDYHPFLSRQHNJ-UONOGXRCSA-N 2 2 297.399 -0.312 20 0 CBADLP O=C(C[N@H+]1CCOC[C@@H]1C[C@H]1CCCO1)N1CC[NH2+]CC1 ZINC001551395111 923771922 /nfs/dbraw/zinc/77/19/22/923771922.db2.gz KRDYHPFLSRQHNJ-UONOGXRCSA-N 2 2 297.399 -0.312 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001552167848 923845412 /nfs/dbraw/zinc/84/54/12/923845412.db2.gz TVOXXFHWSQONPI-WDEREUQCSA-N 2 2 289.343 -0.173 20 0 CBADLP Cc1[nH+]c[nH]c1CNC(=O)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001552168124 923845860 /nfs/dbraw/zinc/84/58/60/923845860.db2.gz OTHUTRANHQNNMB-SECBINFHSA-N 2 2 275.316 -0.226 20 0 CBADLP O=C(NCCc1[nH]cc[nH+]1)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552201613 923859753 /nfs/dbraw/zinc/85/97/53/923859753.db2.gz UNOPPDHTKNCVJA-JOYOIKCWSA-N 2 2 250.302 -0.696 20 0 CBADLP C[C@@H]1C[NH2+]C[C@@H]1NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC001552337418 923884615 /nfs/dbraw/zinc/88/46/15/923884615.db2.gz GJDGATQKCPPNBU-NDBYEHHHSA-N 2 2 282.388 -0.243 20 0 CBADLP C[C@@H]1C[NH2+]C[C@@H]1NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC001552337418 923884621 /nfs/dbraw/zinc/88/46/21/923884621.db2.gz GJDGATQKCPPNBU-NDBYEHHHSA-N 2 2 282.388 -0.243 20 0 CBADLP O=C(NCCc1[nH]cc[nH+]1)c1cnnn1C1CC[NH2+]CC1 ZINC001552435983 923903759 /nfs/dbraw/zinc/90/37/59/923903759.db2.gz YKOYVNYHJOAPIG-UHFFFAOYSA-N 2 2 289.343 -0.102 20 0 CBADLP O=C(NCCn1cc[nH+]c1)c1cnnn1C1CC[NH2+]CC1 ZINC001552432983 923903876 /nfs/dbraw/zinc/90/38/76/923903876.db2.gz KAQDHLHODBOHBV-UHFFFAOYSA-N 2 2 289.343 -0.171 20 0 CBADLP [NH3+][C@@H]1C[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1n1ccnn1 ZINC001552973409 923932484 /nfs/dbraw/zinc/93/24/84/923932484.db2.gz DJYFPDSRUXFHJS-ZLMOABSSSA-N 3 2 276.388 -0.007 20 0 CBADLP [NH3+][C@@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1n1ccnn1 ZINC001552973409 923932491 /nfs/dbraw/zinc/93/24/91/923932491.db2.gz DJYFPDSRUXFHJS-ZLMOABSSSA-N 3 2 276.388 -0.007 20 0 CBADLP [NH3+][C@H]1C[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1n1ccnn1 ZINC001552973407 923932656 /nfs/dbraw/zinc/93/26/56/923932656.db2.gz DJYFPDSRUXFHJS-YEKKKDRXSA-N 3 2 276.388 -0.007 20 0 CBADLP [NH3+][C@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1n1ccnn1 ZINC001552973407 923932666 /nfs/dbraw/zinc/93/26/66/923932666.db2.gz DJYFPDSRUXFHJS-YEKKKDRXSA-N 3 2 276.388 -0.007 20 0 CBADLP [NH3+][C@H]1CN(Cc2cc3c(s2)CC[NH2+]C3)C[C@@H]1[NH3+] ZINC001552973671 923932743 /nfs/dbraw/zinc/93/27/43/923932743.db2.gz UCJBDRCNRNENDQ-QWRGUYRKSA-N 3 2 252.387 -0.136 20 0 CBADLP CN(CC[NH+](C)C)C(=O)[C@@H]1CC[C@@H](C[NH+]2CCOCC2)O1 ZINC001553118151 923943396 /nfs/dbraw/zinc/94/33/96/923943396.db2.gz LFMIUGPBTUXZBP-KBPBESRZSA-N 2 2 299.415 -0.114 20 0 CBADLP [NH3+]C1CCN(C(=O)[C@H]2CC[C@@H](C[NH+]3CCOCC3)O2)CC1 ZINC001553342390 923949123 /nfs/dbraw/zinc/94/91/23/923949123.db2.gz CCKZOZRCQFMSSB-UONOGXRCSA-N 2 2 297.399 -0.184 20 0 CBADLP [NH3+][C@@H]1CCCN(C(=O)[C@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001553342507 923950739 /nfs/dbraw/zinc/95/07/39/923950739.db2.gz HEFBPWVTPXZIRZ-MGPQQGTHSA-N 2 2 297.399 -0.184 20 0 CBADLP C[NH2+]CCNC(=O)[C@@H]1CC[C@@H](C[NH+]2CCOCC2)O1 ZINC001553353840 923957611 /nfs/dbraw/zinc/95/76/11/923957611.db2.gz IKJSWYNDJGZFLT-RYUDHWBXSA-N 2 2 271.361 -0.798 20 0 CBADLP C[C@H](NC(=O)[C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1)[C@H](C)[NH+]1CCOCC1 ZINC001553419098 923991042 /nfs/dbraw/zinc/99/10/42/923991042.db2.gz ZCRFPGBFODACPV-HPCHECBXSA-N 2 2 297.399 -0.269 20 0 CBADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1 ZINC001553428245 923995466 /nfs/dbraw/zinc/99/54/66/923995466.db2.gz GPAUDWUEHIDEMI-MQYQWHSLSA-N 2 2 297.399 -0.267 20 0 CBADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1 ZINC001553428245 923995485 /nfs/dbraw/zinc/99/54/85/923995485.db2.gz GPAUDWUEHIDEMI-MQYQWHSLSA-N 2 2 297.399 -0.267 20 0 CBADLP O=C(N[C@@H]1CCc2[nH+]ccn2C1)[C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1 ZINC001553427253 923995818 /nfs/dbraw/zinc/99/58/18/923995818.db2.gz HKDDNMWDYWXXMI-WYUUTHIRSA-N 2 2 276.340 -0.167 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001553427652 923996552 /nfs/dbraw/zinc/99/65/52/923996552.db2.gz RIAYWWRSUXMABD-MBNYWOFBSA-N 2 2 282.388 -0.160 20 0 CBADLP CN(CCn1cc[nH+]c1)C(=O)[C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1 ZINC001553430183 923998819 /nfs/dbraw/zinc/99/88/19/923998819.db2.gz UGYNDBHVPACODR-SRVKXCTJSA-N 2 2 264.329 -0.139 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC001553528233 924025767 /nfs/dbraw/zinc/02/57/67/924025767.db2.gz NDOWCTLOIFVIKS-UONOGXRCSA-N 3 2 295.431 -0.055 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)N2C[C@H]3CC[C@@]3([NH3+])C2)CC1 ZINC001553529976 924026889 /nfs/dbraw/zinc/02/68/89/924026889.db2.gz PUYINKORLRFVFI-BXUZGUMPSA-N 3 2 281.404 -0.458 20 0 CBADLP CNC(=O)NC(=O)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000124440869 187138055 /nfs/dbraw/zinc/13/80/55/187138055.db2.gz AOLAGBBYINCTMM-UHFFFAOYSA-N 2 2 253.306 -0.339 20 0 CBADLP CNC(=O)NC(=O)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124440869 187138056 /nfs/dbraw/zinc/13/80/56/187138056.db2.gz AOLAGBBYINCTMM-UHFFFAOYSA-N 2 2 253.306 -0.339 20 0 CBADLP C[C@@H](C(=O)NCC[NH+]1CCC1)N1CC[NH+](C)CC1 ZINC000337587727 214169415 /nfs/dbraw/zinc/16/94/15/214169415.db2.gz LRRZPZLMVJSHRR-LBPRGKRZSA-N 2 2 254.378 -0.556 20 0 CBADLP C[C@H]([NH3+])C(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000353654539 230234363 /nfs/dbraw/zinc/23/43/63/230234363.db2.gz ZWWHVOBYLIBSLE-JTQLQIEISA-N 2 2 251.334 -0.589 20 0 CBADLP C[NH+](C)C[C@H]1CN(CC[NH+]2CCOCC2)CCO1 ZINC000336723432 282140528 /nfs/dbraw/zinc/14/05/28/282140528.db2.gz ZGQAIUIYGNVCIJ-ZDUSSCGKSA-N 2 2 257.378 -0.419 20 0 CBADLP C[NH2+]CCC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000262315512 290641414 /nfs/dbraw/zinc/64/14/14/290641414.db2.gz DKHAOCRIKXLCIV-UHFFFAOYSA-N 3 2 256.394 -0.262 20 0 CBADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)C(C)(C)C[NH3+])CC1 ZINC000521047356 260168680 /nfs/dbraw/zinc/16/86/80/260168680.db2.gz BYOYBXUWZYVGCQ-UHFFFAOYSA-N 2 2 284.404 -0.358 20 0 CBADLP CCNC(=O)C[N@H+]1CCCN(C(=O)C(C)(C)C[NH3+])CC1 ZINC000521047356 260168682 /nfs/dbraw/zinc/16/86/82/260168682.db2.gz BYOYBXUWZYVGCQ-UHFFFAOYSA-N 2 2 284.404 -0.358 20 0 CBADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H](C)[C@H](C)[NH3+] ZINC000493968596 230340182 /nfs/dbraw/zinc/34/01/82/230340182.db2.gz LDYFHAUBCMIZPC-UTUOFQBUSA-N 2 2 256.394 -0.278 20 0 CBADLP CC[NH+](CC)CC(=O)N1CC[NH+](C[C@@H](O)COC)CC1 ZINC000126596851 187250508 /nfs/dbraw/zinc/25/05/08/187250508.db2.gz ASOOCISXEACLFO-CYBMUJFWSA-N 2 2 287.404 -0.520 20 0 CBADLP O=C(C[NH+]1CCN(c2ccccn2)CC1)N[C@H]1CC[NH2+]C1 ZINC000127391378 136386141 /nfs/dbraw/zinc/38/61/41/136386141.db2.gz GGWOSZJHTWTGGW-ZDUSSCGKSA-N 2 2 289.383 -0.318 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[NH+]3CCCC[C@H]3CO2)C1 ZINC000378290706 529787652 /nfs/dbraw/zinc/78/76/52/529787652.db2.gz HHYCHTGAQUFDJR-IHRRRGAJSA-N 2 2 297.399 -0.314 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[NH+]3CCCC[C@H]3CO2)C1 ZINC000378290706 529787653 /nfs/dbraw/zinc/78/76/53/529787653.db2.gz HHYCHTGAQUFDJR-IHRRRGAJSA-N 2 2 297.399 -0.314 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)NC[C@H]2C[N@@H+]3CCCC[C@H]3CO2)C1 ZINC000378290706 529787654 /nfs/dbraw/zinc/78/76/54/529787654.db2.gz HHYCHTGAQUFDJR-IHRRRGAJSA-N 2 2 297.399 -0.314 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)NC[C@H]2C[N@H+]3CCCC[C@H]3CO2)C1 ZINC000378290706 529787655 /nfs/dbraw/zinc/78/76/55/529787655.db2.gz HHYCHTGAQUFDJR-IHRRRGAJSA-N 2 2 297.399 -0.314 20 0 CBADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H]1CCOC1 ZINC000093178968 529827824 /nfs/dbraw/zinc/82/78/24/529827824.db2.gz NOMYKYJVFJBCGM-LBPRGKRZSA-N 2 2 255.362 -0.271 20 0 CBADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H]1CCOC1 ZINC000093178968 529827826 /nfs/dbraw/zinc/82/78/26/529827826.db2.gz NOMYKYJVFJBCGM-LBPRGKRZSA-N 2 2 255.362 -0.271 20 0 CBADLP Cc1c[nH+]ccc1NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351525113 219116076 /nfs/dbraw/zinc/11/60/76/219116076.db2.gz SWXCELXZVVGTFB-NSHDSACASA-N 2 2 262.313 -0.381 20 0 CBADLP C[NH2+]C[C@H](C)C(=O)N1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000378209736 290704864 /nfs/dbraw/zinc/70/48/64/290704864.db2.gz LCNGXEJZRRYRRA-QWHCGFSZSA-N 2 2 296.415 -0.345 20 0 CBADLP C[N@H+](C[C@@H](O)CN1CC[NH+](C(C)(C)C(N)=O)CC1)C1CC1 ZINC000351535619 219117668 /nfs/dbraw/zinc/11/76/68/219117668.db2.gz LVOHKMMDXUXOLT-CYBMUJFWSA-N 2 2 298.431 -0.677 20 0 CBADLP C[N@@H+](C[C@@H](O)CN1CC[NH+](C(C)(C)C(N)=O)CC1)C1CC1 ZINC000351535619 219117669 /nfs/dbraw/zinc/11/76/69/219117669.db2.gz LVOHKMMDXUXOLT-CYBMUJFWSA-N 2 2 298.431 -0.677 20 0 CBADLP COC[C@](C)(CCO)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351541078 219120886 /nfs/dbraw/zinc/12/08/86/219120886.db2.gz PNBZFOVKBSZWTA-OLZOCXBDSA-N 2 2 260.378 -0.181 20 0 CBADLP COC[C@](C)(CCO)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351541078 219120888 /nfs/dbraw/zinc/12/08/88/219120888.db2.gz PNBZFOVKBSZWTA-OLZOCXBDSA-N 2 2 260.378 -0.181 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@H]3CSC[NH2+]3)C2)CC1 ZINC000377199300 530049896 /nfs/dbraw/zinc/04/98/96/530049896.db2.gz UGPVRJKFRCTOGM-WCQYABFASA-N 3 2 298.456 -0.066 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@H]3CSC[NH2+]3)C2)CC1 ZINC000377199300 530049897 /nfs/dbraw/zinc/04/98/97/530049897.db2.gz UGPVRJKFRCTOGM-WCQYABFASA-N 3 2 298.456 -0.066 20 0 CBADLP C[N@@H+]1CCN(C2CC[NH+](CCCCO)CC2)C(=O)C1 ZINC000378601407 530071170 /nfs/dbraw/zinc/07/11/70/530071170.db2.gz SRENLOWURXPPFZ-UHFFFAOYSA-N 2 2 269.389 -0.003 20 0 CBADLP C[N@H+]1CCN(C2CC[NH+](CCCCO)CC2)C(=O)C1 ZINC000378601407 530071171 /nfs/dbraw/zinc/07/11/71/530071171.db2.gz SRENLOWURXPPFZ-UHFFFAOYSA-N 2 2 269.389 -0.003 20 0 CBADLP CN(C)C(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000085368998 179038492 /nfs/dbraw/zinc/03/84/92/179038492.db2.gz QODWYPYSYFLGGR-OLZOCXBDSA-N 2 2 296.415 -0.264 20 0 CBADLP CN(C)C(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000085368998 179038494 /nfs/dbraw/zinc/03/84/94/179038494.db2.gz QODWYPYSYFLGGR-OLZOCXBDSA-N 2 2 296.415 -0.264 20 0 CBADLP C[N@H+](C[C@H](O)C[NH+]1CC[C@@H](NC(N)=O)C1)C1CC1 ZINC000351714161 219182982 /nfs/dbraw/zinc/18/29/82/219182982.db2.gz ZQFGSSQWXZWHFE-KOLCDFICSA-N 2 2 256.350 -0.816 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH+]1CC[C@@H](NC(N)=O)C1)C1CC1 ZINC000351714161 219182984 /nfs/dbraw/zinc/18/29/84/219182984.db2.gz ZQFGSSQWXZWHFE-KOLCDFICSA-N 2 2 256.350 -0.816 20 0 CBADLP C[NH+](C[C@H](O)C[N@@H+]1CC[C@@H](NC(N)=O)C1)C1CC1 ZINC000351714161 219182987 /nfs/dbraw/zinc/18/29/87/219182987.db2.gz ZQFGSSQWXZWHFE-KOLCDFICSA-N 2 2 256.350 -0.816 20 0 CBADLP C[NH+](C[C@H](O)C[N@H+]1CC[C@@H](NC(N)=O)C1)C1CC1 ZINC000351714161 219182989 /nfs/dbraw/zinc/18/29/89/219182989.db2.gz ZQFGSSQWXZWHFE-KOLCDFICSA-N 2 2 256.350 -0.816 20 0 CBADLP C[N@H+](C[C@@H](O)C[NH+]1CC[C@@H](NC(N)=O)C1)C1CC1 ZINC000351714162 219183760 /nfs/dbraw/zinc/18/37/60/219183760.db2.gz ZQFGSSQWXZWHFE-MWLCHTKSSA-N 2 2 256.350 -0.816 20 0 CBADLP C[N@@H+](C[C@@H](O)C[NH+]1CC[C@@H](NC(N)=O)C1)C1CC1 ZINC000351714162 219183763 /nfs/dbraw/zinc/18/37/63/219183763.db2.gz ZQFGSSQWXZWHFE-MWLCHTKSSA-N 2 2 256.350 -0.816 20 0 CBADLP C[NH+](C[C@@H](O)C[N@@H+]1CC[C@@H](NC(N)=O)C1)C1CC1 ZINC000351714162 219183764 /nfs/dbraw/zinc/18/37/64/219183764.db2.gz ZQFGSSQWXZWHFE-MWLCHTKSSA-N 2 2 256.350 -0.816 20 0 CBADLP C[NH+](C[C@@H](O)C[N@H+]1CC[C@@H](NC(N)=O)C1)C1CC1 ZINC000351714162 219183766 /nfs/dbraw/zinc/18/37/66/219183766.db2.gz ZQFGSSQWXZWHFE-MWLCHTKSSA-N 2 2 256.350 -0.816 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2C[C@@H](C)[C@@H](O)C2)CC1 ZINC000351807800 219211876 /nfs/dbraw/zinc/21/18/76/219211876.db2.gz IAHKCXGQFLVGIJ-AGIUHOORSA-N 2 2 269.389 -0.148 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2C[C@@H](C)[C@@H](O)C2)CC1 ZINC000351807800 219211878 /nfs/dbraw/zinc/21/18/78/219211878.db2.gz IAHKCXGQFLVGIJ-AGIUHOORSA-N 2 2 269.389 -0.148 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2C[C@H](O)[C@@H](C)C2)CC1 ZINC000351807801 219212852 /nfs/dbraw/zinc/21/28/52/219212852.db2.gz IAHKCXGQFLVGIJ-AVGNSLFASA-N 2 2 269.389 -0.148 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2C[C@H](O)[C@@H](C)C2)CC1 ZINC000351807801 219212853 /nfs/dbraw/zinc/21/28/53/219212853.db2.gz IAHKCXGQFLVGIJ-AVGNSLFASA-N 2 2 269.389 -0.148 20 0 CBADLP CC(C)[C@H](C(=O)N1CC[NH+](CCO)CC1)[NH+](C)C ZINC000087083732 179392806 /nfs/dbraw/zinc/39/28/06/179392806.db2.gz KZZWJBRUQYGWDZ-GFCCVEGCSA-N 2 2 257.378 -0.291 20 0 CBADLP C[C@@H]1CN(C[C@@H](O)C[NH+]2CCOCC2)[C@@H](C)C[N@@H+]1C ZINC000351957404 219265284 /nfs/dbraw/zinc/26/52/84/219265284.db2.gz GGVMPCCRXDMEHH-RDBSUJKOSA-N 2 2 271.405 -0.296 20 0 CBADLP C[C@@H]1CN(C[C@@H](O)C[NH+]2CCOCC2)[C@@H](C)C[N@H+]1C ZINC000351957404 219265286 /nfs/dbraw/zinc/26/52/86/219265286.db2.gz GGVMPCCRXDMEHH-RDBSUJKOSA-N 2 2 271.405 -0.296 20 0 CBADLP CC[NH+](CC)CCNC(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000339587113 215259571 /nfs/dbraw/zinc/25/95/71/215259571.db2.gz MNFBTGRDARWMIJ-UHFFFAOYSA-N 2 2 295.387 -0.153 20 0 CBADLP COCC[N@H+](C)CCCNC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000339683949 215298102 /nfs/dbraw/zinc/29/81/02/215298102.db2.gz POMVUHHIDLNCSJ-ZDUSSCGKSA-N 2 2 287.404 -0.208 20 0 CBADLP COCC[N@@H+](C)CCCNC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000339683949 215298103 /nfs/dbraw/zinc/29/81/03/215298103.db2.gz POMVUHHIDLNCSJ-ZDUSSCGKSA-N 2 2 287.404 -0.208 20 0 CBADLP CN1CC[N@H+](C)[C@H](CNC(=O)C[C@@H]2CSCC[NH2+]2)C1 ZINC000091291477 180122658 /nfs/dbraw/zinc/12/26/58/180122658.db2.gz WSLCLIAHWUGMMX-VXGBXAGGSA-N 2 2 286.445 -0.557 20 0 CBADLP CN1CC[N@@H+](C)[C@H](CNC(=O)C[C@@H]2CSCC[NH2+]2)C1 ZINC000091291477 180122660 /nfs/dbraw/zinc/12/26/60/180122660.db2.gz WSLCLIAHWUGMMX-VXGBXAGGSA-N 2 2 286.445 -0.557 20 0 CBADLP O=C(C1C[NH2+]C1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000091411307 180149090 /nfs/dbraw/zinc/14/90/90/180149090.db2.gz LCEXNMMFWGKSBI-UHFFFAOYSA-N 2 2 260.341 -0.055 20 0 CBADLP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)NCCn1cc[nH+]c1 ZINC000339712675 215309493 /nfs/dbraw/zinc/30/94/93/215309493.db2.gz QHFLNNQPQUHHGG-LBPRGKRZSA-N 2 2 293.371 -0.448 20 0 CBADLP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NCCn1cc[nH+]c1 ZINC000339712675 215309496 /nfs/dbraw/zinc/30/94/96/215309496.db2.gz QHFLNNQPQUHHGG-LBPRGKRZSA-N 2 2 293.371 -0.448 20 0 CBADLP C[C@@H]1C[C@@H](C(=O)N2CC[NH+](CCO)CC2)CC[N@@H+]1C ZINC000352153336 219339638 /nfs/dbraw/zinc/33/96/38/219339638.db2.gz GNMWZLKLRJRXNN-OLZOCXBDSA-N 2 2 269.389 -0.147 20 0 CBADLP C[C@@H]1C[C@@H](C(=O)N2CC[NH+](CCO)CC2)CC[N@H+]1C ZINC000352153336 219339640 /nfs/dbraw/zinc/33/96/40/219339640.db2.gz GNMWZLKLRJRXNN-OLZOCXBDSA-N 2 2 269.389 -0.147 20 0 CBADLP Cc1ccc(O)c(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)n1 ZINC000091996040 180302206 /nfs/dbraw/zinc/30/22/06/180302206.db2.gz FJRYKYRXHZYYDU-UHFFFAOYSA-N 2 2 278.356 -0.041 20 0 CBADLP Cc1ccc(O)c(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)n1 ZINC000091996040 180302208 /nfs/dbraw/zinc/30/22/08/180302208.db2.gz FJRYKYRXHZYYDU-UHFFFAOYSA-N 2 2 278.356 -0.041 20 0 CBADLP O=C(NCCCn1cc[nH+]c1)C(=O)NCCn1cc[nH+]c1 ZINC000339711713 215311296 /nfs/dbraw/zinc/31/12/96/215311296.db2.gz YAOVGEOBBMCABG-UHFFFAOYSA-N 2 2 290.327 -0.598 20 0 CBADLP Cc1[nH+]ccn1CCNC(=O)C(=O)NCCn1cc[nH+]c1 ZINC000339711480 215311949 /nfs/dbraw/zinc/31/19/49/215311949.db2.gz UKGAMDMNKNMDKH-UHFFFAOYSA-N 2 2 290.327 -0.679 20 0 CBADLP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](CC(N)=O)CC2)C1 ZINC000105845606 186078516 /nfs/dbraw/zinc/07/85/16/186078516.db2.gz IXPHGPXCOHQYHH-ZDUSSCGKSA-N 2 2 284.404 -0.802 20 0 CBADLP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](CC(N)=O)CC2)C1 ZINC000105845606 186078517 /nfs/dbraw/zinc/07/85/17/186078517.db2.gz IXPHGPXCOHQYHH-ZDUSSCGKSA-N 2 2 284.404 -0.802 20 0 CBADLP COC1CC([N@H+](C)CC(=O)N2CC[NH+](C)CC2)C1 ZINC000352209863 219361574 /nfs/dbraw/zinc/36/15/74/219361574.db2.gz DABQJYBFIBRSRF-UHFFFAOYSA-N 2 2 255.362 -0.130 20 0 CBADLP COC1CC([N@@H+](C)CC(=O)N2CC[NH+](C)CC2)C1 ZINC000352209863 219361579 /nfs/dbraw/zinc/36/15/79/219361579.db2.gz DABQJYBFIBRSRF-UHFFFAOYSA-N 2 2 255.362 -0.130 20 0 CBADLP COCC[NH2+]CC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000092495762 180397359 /nfs/dbraw/zinc/39/73/59/180397359.db2.gz LSLLBRLFDBUZPS-UHFFFAOYSA-N 2 2 292.383 -0.038 20 0 CBADLP CC[C@@H](C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)[NH+](C)C ZINC000133484587 282715692 /nfs/dbraw/zinc/71/56/92/282715692.db2.gz UUTUIZQJPNTNDC-STQMWFEESA-N 2 2 287.404 -0.522 20 0 CBADLP CSCC[C@H]([NH3+])C(=O)NCC[NH+]1CCOCC1 ZINC000011754919 351331142 /nfs/dbraw/zinc/33/11/42/351331142.db2.gz NGXLKZITVLFQRJ-JTQLQIEISA-N 2 2 261.391 -0.485 20 0 CBADLP C[NH+]1CCN(C(=O)CSc2nc(N)cc(N)[nH+]2)CC1 ZINC000033313489 351382786 /nfs/dbraw/zinc/38/27/86/351382786.db2.gz RRCJBOGODJNWRX-UHFFFAOYSA-N 2 2 282.373 -0.493 20 0 CBADLP CCNC(=O)NC(=O)[C@H](C)[N@H+](C)C1CC[NH2+]CC1 ZINC000036301608 351391363 /nfs/dbraw/zinc/39/13/63/351391363.db2.gz MSVICBLNNZVUBC-VIFPVBQESA-N 2 2 256.350 -0.096 20 0 CBADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)C1CC[NH2+]CC1 ZINC000036301608 351391367 /nfs/dbraw/zinc/39/13/67/351391367.db2.gz MSVICBLNNZVUBC-VIFPVBQESA-N 2 2 256.350 -0.096 20 0 CBADLP CC[NH+]1CCC(NC(=O)C[N@H+](C)CC(=O)NC2CC2)CC1 ZINC000015368106 351342069 /nfs/dbraw/zinc/34/20/69/351342069.db2.gz IQSSWLZHYFLFIM-UHFFFAOYSA-N 2 2 296.415 -0.203 20 0 CBADLP CC[NH+]1CCC(NC(=O)C[N@@H+](C)CC(=O)NC2CC2)CC1 ZINC000015368106 351342072 /nfs/dbraw/zinc/34/20/72/351342072.db2.gz IQSSWLZHYFLFIM-UHFFFAOYSA-N 2 2 296.415 -0.203 20 0 CBADLP CCN1CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000019685434 351350470 /nfs/dbraw/zinc/35/04/70/351350470.db2.gz LKYOFBPGJZBTKX-UHFFFAOYSA-N 2 2 254.378 -0.554 20 0 CBADLP [NH3+]CCC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000019687999 351350801 /nfs/dbraw/zinc/35/08/01/351350801.db2.gz RWUIOZHRIIPPCA-UHFFFAOYSA-N 2 2 268.361 -0.898 20 0 CBADLP CN(C)C(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000037819267 351407792 /nfs/dbraw/zinc/40/77/92/351407792.db2.gz UGCOJUUOXCYRQM-CYBMUJFWSA-N 2 2 296.415 -0.392 20 0 CBADLP CN(C)C(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000037819267 351407795 /nfs/dbraw/zinc/40/77/95/351407795.db2.gz UGCOJUUOXCYRQM-CYBMUJFWSA-N 2 2 296.415 -0.392 20 0 CBADLP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC000037819276 351408031 /nfs/dbraw/zinc/40/80/31/351408031.db2.gz ZNORKQQZFVCOEN-OCCSQVGLSA-N 2 2 298.431 -0.018 20 0 CBADLP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC000037819276 351408032 /nfs/dbraw/zinc/40/80/32/351408032.db2.gz ZNORKQQZFVCOEN-OCCSQVGLSA-N 2 2 298.431 -0.018 20 0 CBADLP COCC[N@@H+]1CCCN(C(=O)[C@@H]2CSC[NH2+]2)CC1 ZINC000037826837 351409307 /nfs/dbraw/zinc/40/93/07/351409307.db2.gz AFJFIKAFAKGYQO-NSHDSACASA-N 2 2 273.402 -0.170 20 0 CBADLP COCC[N@H+]1CCCN(C(=O)[C@@H]2CSC[NH2+]2)CC1 ZINC000037826837 351409308 /nfs/dbraw/zinc/40/93/08/351409308.db2.gz AFJFIKAFAKGYQO-NSHDSACASA-N 2 2 273.402 -0.170 20 0 CBADLP CCCC[N@H+](CCO)CC(=O)N1CC[NH+](C)CC1 ZINC000049800412 351496663 /nfs/dbraw/zinc/49/66/63/351496663.db2.gz QAWLBEBKFPGCEF-UHFFFAOYSA-N 2 2 257.378 -0.145 20 0 CBADLP CCCC[N@@H+](CCO)CC(=O)N1CC[NH+](C)CC1 ZINC000049800412 351496665 /nfs/dbraw/zinc/49/66/65/351496665.db2.gz QAWLBEBKFPGCEF-UHFFFAOYSA-N 2 2 257.378 -0.145 20 0 CBADLP Cn1cc(C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)nn1 ZINC000054859031 351538189 /nfs/dbraw/zinc/53/81/89/351538189.db2.gz XBDDTJBAHFBIDJ-UHFFFAOYSA-N 2 2 266.393 -0.069 20 0 CBADLP O=C(C(=O)N1CC[NH+](C2CCCC2)CC1)N1CC[NH2+]CC1 ZINC000052064174 351517013 /nfs/dbraw/zinc/51/70/13/351517013.db2.gz VPILWVJMMKJGSU-UHFFFAOYSA-N 2 2 294.399 -0.495 20 0 CBADLP CC[NH+](CC)CC(=O)NCC[NH+]1CCN(C(C)=O)CC1 ZINC000068082493 351614366 /nfs/dbraw/zinc/61/43/66/351614366.db2.gz RAKAXIBTGZDMBQ-UHFFFAOYSA-N 2 2 284.404 -0.392 20 0 CBADLP Cc1nc(C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)no1 ZINC000063180261 351580528 /nfs/dbraw/zinc/58/05/28/351580528.db2.gz KJQDXPZWYBPTIW-SNVBAGLBSA-N 2 2 267.333 -0.335 20 0 CBADLP Cc1nc(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)no1 ZINC000063180261 351580531 /nfs/dbraw/zinc/58/05/31/351580531.db2.gz KJQDXPZWYBPTIW-SNVBAGLBSA-N 2 2 267.333 -0.335 20 0 CBADLP CNC(=O)C[N@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000064508556 351586016 /nfs/dbraw/zinc/58/60/16/351586016.db2.gz KOGPZFXBRYTDSZ-UHFFFAOYSA-N 2 2 282.388 -0.593 20 0 CBADLP CNC(=O)C[N@@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000064508556 351586020 /nfs/dbraw/zinc/58/60/20/351586020.db2.gz KOGPZFXBRYTDSZ-UHFFFAOYSA-N 2 2 282.388 -0.593 20 0 CBADLP CN(C)c1[nH+]cc(CNC[C@H]2C[N@H+](C)CCN2C)n1C ZINC000070144285 351636046 /nfs/dbraw/zinc/63/60/46/351636046.db2.gz TUMUDQCULRYVIW-ZDUSSCGKSA-N 2 2 280.420 -0.179 20 0 CBADLP CN(C)c1[nH+]cc(CNC[C@H]2C[N@@H+](C)CCN2C)n1C ZINC000070144285 351636049 /nfs/dbraw/zinc/63/60/49/351636049.db2.gz TUMUDQCULRYVIW-ZDUSSCGKSA-N 2 2 280.420 -0.179 20 0 CBADLP C[C@H](c1cnccn1)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000070480013 351639707 /nfs/dbraw/zinc/63/97/07/351639707.db2.gz GJLRPAAUIXJATA-LLVKDONJSA-N 2 2 263.345 -0.099 20 0 CBADLP C[C@H](c1cnccn1)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000070480013 351639712 /nfs/dbraw/zinc/63/97/12/351639712.db2.gz GJLRPAAUIXJATA-LLVKDONJSA-N 2 2 263.345 -0.099 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000073430613 351654440 /nfs/dbraw/zinc/65/44/40/351654440.db2.gz ZMKFWPHUSPBPSE-MJBXVCDLSA-N 2 2 299.415 -0.068 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000073430613 351654443 /nfs/dbraw/zinc/65/44/43/351654443.db2.gz ZMKFWPHUSPBPSE-MJBXVCDLSA-N 2 2 299.415 -0.068 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)CC[NH+]2CCOCC2)C1 ZINC000073619885 351655713 /nfs/dbraw/zinc/65/57/13/351655713.db2.gz UYEQPACMMWLWEO-KBPBESRZSA-N 2 2 299.415 -0.066 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C)CC[NH+]2CCOCC2)C1 ZINC000073619885 351655716 /nfs/dbraw/zinc/65/57/16/351655716.db2.gz UYEQPACMMWLWEO-KBPBESRZSA-N 2 2 299.415 -0.066 20 0 CBADLP CN1CC[C@@H]([NH+](C)CCC[N@@H+](C)[C@@H]2CCN(C)C2=O)C1=O ZINC000077318429 351680893 /nfs/dbraw/zinc/68/08/93/351680893.db2.gz WIOWCEZPEJVQTD-CHWSQXEVSA-N 2 2 296.415 -0.299 20 0 CBADLP CN1CC[C@@H]([NH+](C)CCC[N@H+](C)[C@@H]2CCN(C)C2=O)C1=O ZINC000077318429 351680894 /nfs/dbraw/zinc/68/08/94/351680894.db2.gz WIOWCEZPEJVQTD-CHWSQXEVSA-N 2 2 296.415 -0.299 20 0 CBADLP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](CCO)CC2)C1 ZINC000080748023 351699291 /nfs/dbraw/zinc/69/92/91/351699291.db2.gz ZJPHUFWXJHHBRC-CQSZACIVSA-N 2 2 271.405 -0.295 20 0 CBADLP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](CCO)CC2)C1 ZINC000080748023 351699296 /nfs/dbraw/zinc/69/92/96/351699296.db2.gz ZJPHUFWXJHHBRC-CQSZACIVSA-N 2 2 271.405 -0.295 20 0 CBADLP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](CCO)CC2)C1 ZINC000080752357 351699714 /nfs/dbraw/zinc/69/97/14/351699714.db2.gz ZJPHUFWXJHHBRC-AWEZNQCLSA-N 2 2 271.405 -0.295 20 0 CBADLP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](CCO)CC2)C1 ZINC000080752357 351699722 /nfs/dbraw/zinc/69/97/22/351699722.db2.gz ZJPHUFWXJHHBRC-AWEZNQCLSA-N 2 2 271.405 -0.295 20 0 CBADLP O=C(NCC[NH+]1CCOCC1)[C@H]1CCCCC[NH2+]1 ZINC000080993404 351701377 /nfs/dbraw/zinc/70/13/77/351701377.db2.gz QAWUKAIKCOHERX-GFCCVEGCSA-N 2 2 255.362 -0.033 20 0 CBADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)CC(=O)NC(N)=O ZINC000075860611 351672260 /nfs/dbraw/zinc/67/22/60/351672260.db2.gz ARAKQQDGDMOLDX-JTQLQIEISA-N 2 2 256.350 -0.013 20 0 CBADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)CC(=O)NC(N)=O ZINC000075860611 351672263 /nfs/dbraw/zinc/67/22/63/351672263.db2.gz ARAKQQDGDMOLDX-JTQLQIEISA-N 2 2 256.350 -0.013 20 0 CBADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)CC(=O)NC(N)=O ZINC000075860611 351672266 /nfs/dbraw/zinc/67/22/66/351672266.db2.gz ARAKQQDGDMOLDX-JTQLQIEISA-N 2 2 256.350 -0.013 20 0 CBADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)CC(=O)NC(N)=O ZINC000075860611 351672269 /nfs/dbraw/zinc/67/22/69/351672269.db2.gz ARAKQQDGDMOLDX-JTQLQIEISA-N 2 2 256.350 -0.013 20 0 CBADLP CC(C)(CNC(=O)[C@@H]1COCC[NH2+]1)[NH+]1CCOCC1 ZINC000088371594 351725017 /nfs/dbraw/zinc/72/50/17/351725017.db2.gz MEKNULWBXMDOMS-NSHDSACASA-N 2 2 271.361 -0.798 20 0 CBADLP COC[C@@H](O)C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000089926752 351735064 /nfs/dbraw/zinc/73/50/64/351735064.db2.gz FOOMUFIMYPJKHP-NSHDSACASA-N 2 2 254.334 -0.451 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C[C@H]1CSCC[NH2+]1 ZINC000091134731 351743485 /nfs/dbraw/zinc/74/34/85/351743485.db2.gz KLMBKWZHZBRILF-RYUDHWBXSA-N 2 2 287.429 -0.082 20 0 CBADLP C[NH+](C)CC(=O)N1CC[NH+](CCN2CCCC2=O)CC1 ZINC000097153301 351776481 /nfs/dbraw/zinc/77/64/81/351776481.db2.gz ZFYIAZMVCNRWSS-UHFFFAOYSA-N 2 2 282.388 -0.685 20 0 CBADLP C[C@H]([C@H](C)NC(=O)CN1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000111611279 351803992 /nfs/dbraw/zinc/80/39/92/351803992.db2.gz ONHACSITGTUBNB-UONOGXRCSA-N 2 2 298.431 -0.541 20 0 CBADLP COC(=O)[C@H](CC(C)C)NC(=O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000107575122 351794962 /nfs/dbraw/zinc/79/49/62/351794962.db2.gz GXDDWPLMOBJOOJ-UPJWGTAASA-N 2 2 297.399 -0.159 20 0 CBADLP CC[C@H](C)[C@H](NC(=O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C(=O)OC ZINC000107575137 351794969 /nfs/dbraw/zinc/79/49/69/351794969.db2.gz LAWYKTVBPUWBOY-FMSGJZPZSA-N 2 2 297.399 -0.159 20 0 CBADLP CC[C@H](C)[C@H](NC(=O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C(=O)OC ZINC000107575137 351794973 /nfs/dbraw/zinc/79/49/73/351794973.db2.gz LAWYKTVBPUWBOY-FMSGJZPZSA-N 2 2 297.399 -0.159 20 0 CBADLP O=C(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)NC(=O)NC1CCCC1 ZINC000107855310 351796101 /nfs/dbraw/zinc/79/61/01/351796101.db2.gz KNHUFLIEFWVIGG-PHIMTYICSA-N 2 2 280.372 -0.094 20 0 CBADLP O=C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)NC(=O)NC1CCCC1 ZINC000107855310 351796104 /nfs/dbraw/zinc/79/61/04/351796104.db2.gz KNHUFLIEFWVIGG-PHIMTYICSA-N 2 2 280.372 -0.094 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H](CC(N)=O)C2)CC1 ZINC000093178186 351757403 /nfs/dbraw/zinc/75/74/03/351757403.db2.gz ZJHHQKGYIACBDL-GFCCVEGCSA-N 2 2 282.388 -0.652 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H](CC(N)=O)C2)CC1 ZINC000093178186 351757410 /nfs/dbraw/zinc/75/74/10/351757410.db2.gz ZJHHQKGYIACBDL-GFCCVEGCSA-N 2 2 282.388 -0.652 20 0 CBADLP C[C@@H](O)[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000093204025 351757753 /nfs/dbraw/zinc/75/77/53/351757753.db2.gz RNIAZBWQKQJACR-CHWSQXEVSA-N 2 2 269.389 -0.147 20 0 CBADLP C[C@@H](O)[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000093204025 351757757 /nfs/dbraw/zinc/75/77/57/351757757.db2.gz RNIAZBWQKQJACR-CHWSQXEVSA-N 2 2 269.389 -0.147 20 0 CBADLP C[C@@H](O)[C@H]1CCC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000093204027 351757810 /nfs/dbraw/zinc/75/78/10/351757810.db2.gz RNIAZBWQKQJACR-OLZOCXBDSA-N 2 2 269.389 -0.147 20 0 CBADLP C[C@@H](O)[C@H]1CCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000093204027 351757812 /nfs/dbraw/zinc/75/78/12/351757812.db2.gz RNIAZBWQKQJACR-OLZOCXBDSA-N 2 2 269.389 -0.147 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](CCC(N)=O)C2)CC1 ZINC000093171128 351757831 /nfs/dbraw/zinc/75/78/31/351757831.db2.gz ZDIKCQOAOZWOEF-ZDUSSCGKSA-N 2 2 296.415 -0.262 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](CCC(N)=O)C2)CC1 ZINC000093171128 351757834 /nfs/dbraw/zinc/75/78/34/351757834.db2.gz ZDIKCQOAOZWOEF-ZDUSSCGKSA-N 2 2 296.415 -0.262 20 0 CBADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H]1CCOC1 ZINC000093178969 351757874 /nfs/dbraw/zinc/75/78/74/351757874.db2.gz NOMYKYJVFJBCGM-GFCCVEGCSA-N 2 2 255.362 -0.271 20 0 CBADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H]1CCOC1 ZINC000093178969 351757877 /nfs/dbraw/zinc/75/78/77/351757877.db2.gz NOMYKYJVFJBCGM-GFCCVEGCSA-N 2 2 255.362 -0.271 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@]3(CCOC3)C2)CC1 ZINC000093189155 351758254 /nfs/dbraw/zinc/75/82/54/351758254.db2.gz AHGLGPQKSXEWIB-AWEZNQCLSA-N 2 2 267.373 -0.127 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@]3(CCOC3)C2)CC1 ZINC000093189155 351758257 /nfs/dbraw/zinc/75/82/57/351758257.db2.gz AHGLGPQKSXEWIB-AWEZNQCLSA-N 2 2 267.373 -0.127 20 0 CBADLP COC(=O)[C@@]1(C)CC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000093189826 351758298 /nfs/dbraw/zinc/75/82/98/351758298.db2.gz GRKMUIPHAASQIW-AWEZNQCLSA-N 2 2 283.372 -0.355 20 0 CBADLP COC(=O)[C@@]1(C)CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000093189826 351758300 /nfs/dbraw/zinc/75/83/00/351758300.db2.gz GRKMUIPHAASQIW-AWEZNQCLSA-N 2 2 283.372 -0.355 20 0 CBADLP CCCNC(=O)NC(=O)C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000094341462 351762924 /nfs/dbraw/zinc/76/29/24/351762924.db2.gz CVYQSOGAIWRKNN-ZJUUUORDSA-N 2 2 256.350 -0.109 20 0 CBADLP CCCNC(=O)NC(=O)C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000094341462 351762928 /nfs/dbraw/zinc/76/29/28/351762928.db2.gz CVYQSOGAIWRKNN-ZJUUUORDSA-N 2 2 256.350 -0.109 20 0 CBADLP C[C@H](C(=O)N(CC[NH+](C)C)CC[NH+](C)C)S(C)(=O)=O ZINC000114688161 351818396 /nfs/dbraw/zinc/81/83/96/351818396.db2.gz GKBDDWXYUBFSSU-LLVKDONJSA-N 2 2 293.433 -0.629 20 0 CBADLP CC(C)(CNC(=O)COC1CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000111796837 351805925 /nfs/dbraw/zinc/80/59/25/351805925.db2.gz GQGIJYIABLXYQC-UHFFFAOYSA-N 2 2 299.415 -0.018 20 0 CBADLP O=C(NCCn1cc[nH+]c1)NCC1CC[NH+](CCO)CC1 ZINC000111785957 351806056 /nfs/dbraw/zinc/80/60/56/351806056.db2.gz XIFBMELTGHSPRB-UHFFFAOYSA-N 2 2 295.387 -0.113 20 0 CBADLP Cn1ccc(C[NH2+]CC(=O)N2CC[NH+](C)CC2)n1 ZINC000112343960 351808228 /nfs/dbraw/zinc/80/82/28/351808228.db2.gz RJOODZYTZYWCIU-UHFFFAOYSA-N 2 2 251.334 -0.716 20 0 CBADLP CNC(=O)C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000112636475 351809078 /nfs/dbraw/zinc/80/90/78/351809078.db2.gz JBIBPHROVBOASP-ZDUSSCGKSA-N 2 2 268.405 -0.166 20 0 CBADLP CNC(=O)C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000112636475 351809081 /nfs/dbraw/zinc/80/90/81/351809081.db2.gz JBIBPHROVBOASP-ZDUSSCGKSA-N 2 2 268.405 -0.166 20 0 CBADLP C[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N2CCNC2=O)C1 ZINC000114480123 351817421 /nfs/dbraw/zinc/81/74/21/351817421.db2.gz CBUSFCZYYSJCMT-JTQLQIEISA-N 2 2 254.334 -0.578 20 0 CBADLP C[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N2CCNC2=O)C1 ZINC000114480123 351817425 /nfs/dbraw/zinc/81/74/25/351817425.db2.gz CBUSFCZYYSJCMT-JTQLQIEISA-N 2 2 254.334 -0.578 20 0 CBADLP C[C@H]1C[C@H]([NH+](C)CC(=O)N2CCNC2=O)CC[N@@H+]1C ZINC000123170548 187075976 /nfs/dbraw/zinc/07/59/76/187075976.db2.gz RILCUHWSFCSHIQ-WDEREUQCSA-N 2 2 268.361 -0.047 20 0 CBADLP C[C@H]1C[C@H]([NH+](C)CC(=O)N2CCNC2=O)CC[N@H+]1C ZINC000123170548 187075977 /nfs/dbraw/zinc/07/59/77/187075977.db2.gz RILCUHWSFCSHIQ-WDEREUQCSA-N 2 2 268.361 -0.047 20 0 CBADLP C[C@H]1C[C@H]([N@H+](C)CC(=O)N2CCNC2=O)CC[NH+]1C ZINC000123170548 187075978 /nfs/dbraw/zinc/07/59/78/187075978.db2.gz RILCUHWSFCSHIQ-WDEREUQCSA-N 2 2 268.361 -0.047 20 0 CBADLP C[C@H]1C[C@H]([N@@H+](C)CC(=O)N2CCNC2=O)CC[NH+]1C ZINC000123170548 187075979 /nfs/dbraw/zinc/07/59/79/187075979.db2.gz RILCUHWSFCSHIQ-WDEREUQCSA-N 2 2 268.361 -0.047 20 0 CBADLP C[NH2+]CCCNC(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000121528817 351848135 /nfs/dbraw/zinc/84/81/35/351848135.db2.gz KOPYSFNBPZDBKH-UHFFFAOYSA-N 2 2 291.399 -0.071 20 0 CBADLP CC(=O)N1CCN(C(=O)C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)CC1 ZINC000129179770 351868886 /nfs/dbraw/zinc/86/88/86/351868886.db2.gz VJSUJBCFXOUWPN-YPMHNXCESA-N 2 2 282.388 -0.511 20 0 CBADLP CC(=O)N1CCN(C(=O)C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)CC1 ZINC000129179770 351868890 /nfs/dbraw/zinc/86/88/90/351868890.db2.gz VJSUJBCFXOUWPN-YPMHNXCESA-N 2 2 282.388 -0.511 20 0 CBADLP CS(=O)(=O)NCC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129169282 351868961 /nfs/dbraw/zinc/86/89/61/351868961.db2.gz DHRQMAFPHJYAKC-LBPRGKRZSA-N 2 2 291.417 -0.810 20 0 CBADLP CS(=O)(=O)NCC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129169282 351868962 /nfs/dbraw/zinc/86/89/62/351868962.db2.gz DHRQMAFPHJYAKC-LBPRGKRZSA-N 2 2 291.417 -0.810 20 0 CBADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CC(=O)NC(N)=O)C1 ZINC000123506649 187095752 /nfs/dbraw/zinc/09/57/52/187095752.db2.gz WATZBLYGFVXGPV-JTQLQIEISA-N 2 2 279.344 -0.131 20 0 CBADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CC(=O)NC(N)=O)C1 ZINC000123506649 187095753 /nfs/dbraw/zinc/09/57/53/187095753.db2.gz WATZBLYGFVXGPV-JTQLQIEISA-N 2 2 279.344 -0.131 20 0 CBADLP CC[C@@H](C(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1)[NH+](C)C ZINC000130123016 351876982 /nfs/dbraw/zinc/87/69/82/351876982.db2.gz SSGFRYRIODXMDF-ZDUSSCGKSA-N 2 2 298.431 -0.051 20 0 CBADLP CC[C@@H](C(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1)[NH+](C)C ZINC000130123016 351876984 /nfs/dbraw/zinc/87/69/84/351876984.db2.gz SSGFRYRIODXMDF-ZDUSSCGKSA-N 2 2 298.431 -0.051 20 0 CBADLP C[C@]1(C(=O)NCC[NH+]2CCOCC2)CCCC[NH2+]1 ZINC000136193003 351918869 /nfs/dbraw/zinc/91/88/69/351918869.db2.gz GPLVHKTUYLKFTH-CYBMUJFWSA-N 2 2 255.362 -0.033 20 0 CBADLP C[N@H+](CC(=O)NCC[NH+]1CCOCC1)[C@H]1CCSC1 ZINC000153026209 351941749 /nfs/dbraw/zinc/94/17/49/351941749.db2.gz PMYTUHHBEZDGAZ-LBPRGKRZSA-N 2 2 287.429 -0.128 20 0 CBADLP C[N@@H+](CC(=O)NCC[NH+]1CCOCC1)[C@H]1CCSC1 ZINC000153026209 351941751 /nfs/dbraw/zinc/94/17/51/351941751.db2.gz PMYTUHHBEZDGAZ-LBPRGKRZSA-N 2 2 287.429 -0.128 20 0 CBADLP C[C@H](CNC(=O)CN1CC[NH+](C)CC1)C[NH+]1CCOCC1 ZINC000132510769 351893723 /nfs/dbraw/zinc/89/37/23/351893723.db2.gz HUMMDMKERPVDGQ-CQSZACIVSA-N 2 2 298.431 -0.682 20 0 CBADLP CC[C@H](C)[C@@H](NC(=O)C[N@H+](C)CCC[NH3+])C(=O)OC ZINC000133788800 351901840 /nfs/dbraw/zinc/90/18/40/351901840.db2.gz WMUVDNXJVYJTLX-CMPLNLGQSA-N 2 2 273.377 -0.029 20 0 CBADLP CC[C@H](C)[C@@H](NC(=O)C[N@@H+](C)CCC[NH3+])C(=O)OC ZINC000133788800 351901842 /nfs/dbraw/zinc/90/18/42/351901842.db2.gz WMUVDNXJVYJTLX-CMPLNLGQSA-N 2 2 273.377 -0.029 20 0 CBADLP CCN1CC[NH+](CCCNC(=O)C[NH+](C)C)CC1 ZINC000171185088 352008626 /nfs/dbraw/zinc/00/86/26/352008626.db2.gz FHWPFIHUMKUQCO-UHFFFAOYSA-N 2 2 256.394 -0.308 20 0 CBADLP C[NH+](C)CC(=O)N1CC[NH+](CCOC[C@H]2CCCO2)CC1 ZINC000158054741 351957016 /nfs/dbraw/zinc/95/70/16/351957016.db2.gz HQKABOKZYSPELZ-CQSZACIVSA-N 2 2 299.415 -0.112 20 0 CBADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)NC(N)=O)CC[C@@H]21 ZINC000158993543 351959793 /nfs/dbraw/zinc/95/97/93/351959793.db2.gz KLZPONCQOTXPHR-ZJUUUORDSA-N 2 2 254.334 -0.403 20 0 CBADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)NC(N)=O)CC[C@@H]21 ZINC000158993543 351959795 /nfs/dbraw/zinc/95/97/95/351959795.db2.gz KLZPONCQOTXPHR-ZJUUUORDSA-N 2 2 254.334 -0.403 20 0 CBADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)NC(N)=O)CC[C@@H]21 ZINC000158993543 351959798 /nfs/dbraw/zinc/95/97/98/351959798.db2.gz KLZPONCQOTXPHR-ZJUUUORDSA-N 2 2 254.334 -0.403 20 0 CBADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)NC(N)=O)CC[C@@H]21 ZINC000158993543 351959799 /nfs/dbraw/zinc/95/97/99/351959799.db2.gz KLZPONCQOTXPHR-ZJUUUORDSA-N 2 2 254.334 -0.403 20 0 CBADLP C[C@@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)CC[C@@H]1O ZINC000159403222 351963782 /nfs/dbraw/zinc/96/37/82/351963782.db2.gz YKNAZYMWSBGJRJ-NEPJUHHUSA-N 2 2 255.362 -0.537 20 0 CBADLP C[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)CC[C@@H]1O ZINC000159403222 351963785 /nfs/dbraw/zinc/96/37/85/351963785.db2.gz YKNAZYMWSBGJRJ-NEPJUHHUSA-N 2 2 255.362 -0.537 20 0 CBADLP CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000160084548 351967779 /nfs/dbraw/zinc/96/77/79/351967779.db2.gz PMDBWYKDNNXOFK-SCZZXKLOSA-N 2 2 256.350 -0.110 20 0 CBADLP CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000160084548 351967781 /nfs/dbraw/zinc/96/77/81/351967781.db2.gz PMDBWYKDNNXOFK-SCZZXKLOSA-N 2 2 256.350 -0.110 20 0 CBADLP C[NH+](C)C[C@H]1CCN(C(=O)NCC[NH+]2CCOCC2)C1 ZINC000162697097 351978347 /nfs/dbraw/zinc/97/83/47/351978347.db2.gz WPJZYOBLPNQWQA-CYBMUJFWSA-N 2 2 284.404 -0.088 20 0 CBADLP C[N@@H+]1CCN(C(=O)CC2CC[NH2+]CC2)[C@@H](C[NH3+])C1 ZINC000162476217 351978369 /nfs/dbraw/zinc/97/83/69/351978369.db2.gz FZYNVDDLFGSDFV-LBPRGKRZSA-N 3 2 254.378 -0.523 20 0 CBADLP C[C@H](O)[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000162771195 351979509 /nfs/dbraw/zinc/97/95/09/351979509.db2.gz WLITWENNVLRSEY-NWDGAFQWSA-N 2 2 255.362 -0.537 20 0 CBADLP C[C@H](O)[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000162771195 351979511 /nfs/dbraw/zinc/97/95/11/351979511.db2.gz WLITWENNVLRSEY-NWDGAFQWSA-N 2 2 255.362 -0.537 20 0 CBADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000163217706 351980311 /nfs/dbraw/zinc/98/03/11/351980311.db2.gz DVRUURMMFWZYPM-BDAKNGLRSA-N 2 2 254.334 -0.356 20 0 CBADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000163217706 351980315 /nfs/dbraw/zinc/98/03/15/351980315.db2.gz DVRUURMMFWZYPM-BDAKNGLRSA-N 2 2 254.334 -0.356 20 0 CBADLP CCOCC[NH+]1CCN(C(=O)[C@H]2CSC[NH2+]2)CC1 ZINC000164463001 351983308 /nfs/dbraw/zinc/98/33/08/351983308.db2.gz XSRBCKKKNJVECN-LLVKDONJSA-N 2 2 273.402 -0.170 20 0 CBADLP CC(C)C[C@@H](CNC(=O)CN1CC[NH2+]CC1=O)[NH+](C)C ZINC000164351936 351983354 /nfs/dbraw/zinc/98/33/54/351983354.db2.gz HJZQDRLAHJFUQU-LBPRGKRZSA-N 2 2 284.404 -0.489 20 0 CBADLP CCOCC[NH+]1CCN(C(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC000164473358 351983612 /nfs/dbraw/zinc/98/36/12/351983612.db2.gz AJKNEMUMSINCLV-LBPRGKRZSA-N 2 2 271.361 -0.845 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@]1(F)CC[NH2+]C1 ZINC000165046149 351985771 /nfs/dbraw/zinc/98/57/71/351985771.db2.gz BZENVMXHGLHJBZ-JQWIXIFHSA-N 2 2 259.325 -0.475 20 0 CBADLP O=C(NCCCC[NH+]1CCOCC1)[C@@H]1CSC[NH2+]1 ZINC000165105251 351986060 /nfs/dbraw/zinc/98/60/60/351986060.db2.gz HSHGMLVVOVPMQO-NSHDSACASA-N 2 2 273.402 -0.123 20 0 CBADLP COC1(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)CC[NH2+]CC1 ZINC000167693210 351989568 /nfs/dbraw/zinc/98/95/68/351989568.db2.gz PJBQWEGFJUSQPV-CHWSQXEVSA-N 2 2 299.415 -0.020 20 0 CBADLP C[C@H]([C@H](C)NC(=O)[C@@H]1C[NH2+]CCO1)[NH+]1CCOCC1 ZINC000167693526 351989716 /nfs/dbraw/zinc/98/97/16/351989716.db2.gz VPBXLDHBHRSOKQ-TUAOUCFPSA-N 2 2 271.361 -0.800 20 0 CBADLP C[C@H](NC(=O)[C@@H]1C[NH2+]CCO1)[C@H](C)[NH+]1CCOCC1 ZINC000167693752 351989784 /nfs/dbraw/zinc/98/97/84/351989784.db2.gz VPBXLDHBHRSOKQ-SRVKXCTJSA-N 2 2 271.361 -0.800 20 0 CBADLP CCOCC[N@@H+]1CCN(C(=O)[C@@H]2COCC[NH2+]2)C[C@@H]1CC ZINC000168073622 351991710 /nfs/dbraw/zinc/99/17/10/351991710.db2.gz SIOMTXAOGJAIBG-KBPBESRZSA-N 2 2 299.415 -0.066 20 0 CBADLP CCOCC[N@H+]1CCN(C(=O)[C@@H]2COCC[NH2+]2)C[C@@H]1CC ZINC000168073622 351991713 /nfs/dbraw/zinc/99/17/13/351991713.db2.gz SIOMTXAOGJAIBG-KBPBESRZSA-N 2 2 299.415 -0.066 20 0 CBADLP COCC[N@@H+]1CCN(C(=O)[C@@H]2C[NH2+]CCO2)C[C@@H]1C ZINC000168031035 351991781 /nfs/dbraw/zinc/99/17/81/351991781.db2.gz DAZPKVVLFIVSTH-RYUDHWBXSA-N 2 2 271.361 -0.846 20 0 CBADLP COCC[N@H+]1CCN(C(=O)[C@@H]2C[NH2+]CCO2)C[C@@H]1C ZINC000168031035 351991783 /nfs/dbraw/zinc/99/17/83/351991783.db2.gz DAZPKVVLFIVSTH-RYUDHWBXSA-N 2 2 271.361 -0.846 20 0 CBADLP [NH3+]CC(=O)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000168296728 351992675 /nfs/dbraw/zinc/99/26/75/351992675.db2.gz UQAFPTJYGQVITO-ZDUSSCGKSA-N 2 2 293.367 -0.471 20 0 CBADLP C[C@H]([NH3+])C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000168916943 351995246 /nfs/dbraw/zinc/99/52/46/351995246.db2.gz OYAHTYOBHZDIJP-NSHDSACASA-N 2 2 282.388 -0.606 20 0 CBADLP CC(C)[NH+]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000174575447 352048422 /nfs/dbraw/zinc/04/84/22/352048422.db2.gz OZMMZEXHOPCEBZ-GFCCVEGCSA-N 2 2 255.362 -0.130 20 0 CBADLP CC(C)[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000174575447 352048425 /nfs/dbraw/zinc/04/84/25/352048425.db2.gz OZMMZEXHOPCEBZ-GFCCVEGCSA-N 2 2 255.362 -0.130 20 0 CBADLP C[C@@H]1CN(C(=O)C[NH+](C)C)CCN1C(=O)C[NH+](C)C ZINC000174558341 352048770 /nfs/dbraw/zinc/04/87/70/352048770.db2.gz NKIHWDYWOSDXCG-LLVKDONJSA-N 2 2 270.377 -0.831 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000174642219 352049303 /nfs/dbraw/zinc/04/93/03/352049303.db2.gz QHHVNEXUYUPXMR-VXGBXAGGSA-N 2 2 271.361 -0.846 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000174642219 352049308 /nfs/dbraw/zinc/04/93/08/352049308.db2.gz QHHVNEXUYUPXMR-VXGBXAGGSA-N 2 2 271.361 -0.846 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000174672509 352049408 /nfs/dbraw/zinc/04/94/08/352049408.db2.gz CQMFAZCBHUUVRX-LBPRGKRZSA-N 2 2 285.388 -0.768 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000174672509 352049411 /nfs/dbraw/zinc/04/94/11/352049411.db2.gz CQMFAZCBHUUVRX-LBPRGKRZSA-N 2 2 285.388 -0.768 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](C3CC3)CCO2)C1 ZINC000174868729 352051854 /nfs/dbraw/zinc/05/18/54/352051854.db2.gz WADJWNJHTLPUNL-KGLIPLIRSA-N 2 2 297.399 -0.314 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](C3CC3)CCO2)C1 ZINC000174868729 352051866 /nfs/dbraw/zinc/05/18/66/352051866.db2.gz WADJWNJHTLPUNL-KGLIPLIRSA-N 2 2 297.399 -0.314 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)C1 ZINC000174868729 352051868 /nfs/dbraw/zinc/05/18/68/352051868.db2.gz WADJWNJHTLPUNL-KGLIPLIRSA-N 2 2 297.399 -0.314 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)C1 ZINC000174868729 352051871 /nfs/dbraw/zinc/05/18/71/352051871.db2.gz WADJWNJHTLPUNL-KGLIPLIRSA-N 2 2 297.399 -0.314 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C[NH+]1CCOCC1 ZINC000175103397 352053379 /nfs/dbraw/zinc/05/33/79/352053379.db2.gz PPYSUQZQRGCOPW-QWHCGFSZSA-N 2 2 285.388 -0.599 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C[NH+]1CCOCC1 ZINC000175103397 352053382 /nfs/dbraw/zinc/05/33/82/352053382.db2.gz PPYSUQZQRGCOPW-QWHCGFSZSA-N 2 2 285.388 -0.599 20 0 CBADLP CNC(=O)NC(=O)CC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000172936104 352032572 /nfs/dbraw/zinc/03/25/72/352032572.db2.gz DYHXCKHXVUKOCA-GFCCVEGCSA-N 2 2 298.387 -0.514 20 0 CBADLP CNC(=O)NC(=O)CC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000172936104 352032574 /nfs/dbraw/zinc/03/25/74/352032574.db2.gz DYHXCKHXVUKOCA-GFCCVEGCSA-N 2 2 298.387 -0.514 20 0 CBADLP COCCOCC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000178729057 352082386 /nfs/dbraw/zinc/08/23/86/352082386.db2.gz KQHDCXIJMRMQNK-CQSZACIVSA-N 2 2 299.415 -0.112 20 0 CBADLP COCCOCC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000178729057 352082389 /nfs/dbraw/zinc/08/23/89/352082389.db2.gz KQHDCXIJMRMQNK-CQSZACIVSA-N 2 2 299.415 -0.112 20 0 CBADLP O=C1C[C@H]([NH2+]CC2CC2)CN1CC[NH+]1CCOCC1 ZINC000178907083 352085986 /nfs/dbraw/zinc/08/59/86/352085986.db2.gz KCUMECHBEKKZIR-ZDUSSCGKSA-N 2 2 267.373 -0.081 20 0 CBADLP CC[C@@H](COC)[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181036366 352097241 /nfs/dbraw/zinc/09/72/41/352097241.db2.gz GWYMLWGICHCSRE-UONOGXRCSA-N 2 2 299.415 -0.066 20 0 CBADLP O=C1C[C@H]([NH2+][C@H]2CCCOC2)CN1CC[NH+]1CCOCC1 ZINC000181039743 352097368 /nfs/dbraw/zinc/09/73/68/352097368.db2.gz IYDOANFALDGTPO-KBPBESRZSA-N 2 2 297.399 -0.312 20 0 CBADLP C[C@@H](NC(=O)C[N@H+](C)CCCn1cc[nH+]c1)C(=O)N(C)C ZINC000181069165 352097507 /nfs/dbraw/zinc/09/75/07/352097507.db2.gz MDHZAAHQRFSBTQ-GFCCVEGCSA-N 2 2 295.387 -0.202 20 0 CBADLP C[C@@H](NC(=O)C[N@@H+](C)CCCn1cc[nH+]c1)C(=O)N(C)C ZINC000181069165 352097509 /nfs/dbraw/zinc/09/75/09/352097509.db2.gz MDHZAAHQRFSBTQ-GFCCVEGCSA-N 2 2 295.387 -0.202 20 0 CBADLP COC(=O)CCNC(=O)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000181075838 352097902 /nfs/dbraw/zinc/09/79/02/352097902.db2.gz WGSIKZNUJBXNFJ-UHFFFAOYSA-N 2 2 282.344 -0.116 20 0 CBADLP COC(=O)CCNC(=O)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181075838 352097905 /nfs/dbraw/zinc/09/79/05/352097905.db2.gz WGSIKZNUJBXNFJ-UHFFFAOYSA-N 2 2 282.344 -0.116 20 0 CBADLP OC[C@H]1CCC[N@@H+]1CC(O)C[NH+]1CCC[C@H]1CO ZINC000181799961 352101132 /nfs/dbraw/zinc/10/11/32/352101132.db2.gz XMRVUDHHSQONKS-FUNVUKJBSA-N 2 2 258.362 -0.739 20 0 CBADLP OC[C@H]1CCC[N@H+]1CC(O)C[NH+]1CCC[C@H]1CO ZINC000181799961 352101134 /nfs/dbraw/zinc/10/11/34/352101134.db2.gz XMRVUDHHSQONKS-FUNVUKJBSA-N 2 2 258.362 -0.739 20 0 CBADLP OC[C@H]1CCC[NH+]1CC(O)C[N@@H+]1CCC[C@H]1CO ZINC000181799961 352101135 /nfs/dbraw/zinc/10/11/35/352101135.db2.gz XMRVUDHHSQONKS-FUNVUKJBSA-N 2 2 258.362 -0.739 20 0 CBADLP OC[C@H]1CCC[NH+]1CC(O)C[N@H+]1CCC[C@H]1CO ZINC000181799961 352101137 /nfs/dbraw/zinc/10/11/37/352101137.db2.gz XMRVUDHHSQONKS-FUNVUKJBSA-N 2 2 258.362 -0.739 20 0 CBADLP CC(C)[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181980369 352102359 /nfs/dbraw/zinc/10/23/59/352102359.db2.gz QAWVATVROHTPGP-LBPRGKRZSA-N 2 2 255.362 -0.083 20 0 CBADLP CCCCC[N@H+](CC(N)=O)CC(=O)N1CC[NH+](C)CC1 ZINC000183051410 352107201 /nfs/dbraw/zinc/10/72/01/352107201.db2.gz JNZYHGAWMXVNLC-UHFFFAOYSA-N 2 2 284.404 -0.262 20 0 CBADLP CCCCC[N@@H+](CC(N)=O)CC(=O)N1CC[NH+](C)CC1 ZINC000183051410 352107205 /nfs/dbraw/zinc/10/72/05/352107205.db2.gz JNZYHGAWMXVNLC-UHFFFAOYSA-N 2 2 284.404 -0.262 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000188722702 352157001 /nfs/dbraw/zinc/15/70/01/352157001.db2.gz YKBJCYLAHVAJBQ-JTQLQIEISA-N 2 2 293.371 -0.494 20 0 CBADLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188757296 352158465 /nfs/dbraw/zinc/15/84/65/352158465.db2.gz MZLXYSORYYMZFZ-WDEREUQCSA-N 2 2 273.352 -0.087 20 0 CBADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188757296 352158468 /nfs/dbraw/zinc/15/84/68/352158468.db2.gz MZLXYSORYYMZFZ-WDEREUQCSA-N 2 2 273.352 -0.087 20 0 CBADLP O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188901760 352160598 /nfs/dbraw/zinc/16/05/98/352160598.db2.gz ZHKPKKAAKIWJDW-ZMLRMANQSA-N 2 2 271.336 -0.334 20 0 CBADLP O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188901760 352160602 /nfs/dbraw/zinc/16/06/02/352160602.db2.gz ZHKPKKAAKIWJDW-ZMLRMANQSA-N 2 2 271.336 -0.334 20 0 CBADLP C[C@@H]1CN(c2cc[nH+]cc2C(N)=O)CC[N@@H+]1CCO ZINC000189401317 352169627 /nfs/dbraw/zinc/16/96/27/352169627.db2.gz VVEDJAXTOPXWJP-SNVBAGLBSA-N 2 2 264.329 -0.317 20 0 CBADLP C[C@@H]1CN(c2cc[nH+]cc2C(N)=O)CC[N@H+]1CCO ZINC000189401317 352169632 /nfs/dbraw/zinc/16/96/32/352169632.db2.gz VVEDJAXTOPXWJP-SNVBAGLBSA-N 2 2 264.329 -0.317 20 0 CBADLP COC(=O)[C@H]1[C@@H](O)CCC[N@@H+]1CCn1cc[nH+]c1 ZINC000189585313 352171600 /nfs/dbraw/zinc/17/16/00/352171600.db2.gz HDAYCYHXVSENAQ-WDEREUQCSA-N 2 2 253.302 -0.119 20 0 CBADLP COC(=O)[C@H]1[C@@H](O)CCC[N@H+]1CCn1cc[nH+]c1 ZINC000189585313 352171602 /nfs/dbraw/zinc/17/16/02/352171602.db2.gz HDAYCYHXVSENAQ-WDEREUQCSA-N 2 2 253.302 -0.119 20 0 CBADLP C[C@H](O)C[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000192709850 352199495 /nfs/dbraw/zinc/19/94/95/352199495.db2.gz FJBYFZMLBGKMEB-LBPRGKRZSA-N 2 2 255.362 -0.393 20 0 CBADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)[C@H](C)[C@@H](C)[NH3+])CC1 ZINC000192090468 352195724 /nfs/dbraw/zinc/19/57/24/352195724.db2.gz DQICVWSZZDVZFQ-CHWSQXEVSA-N 2 2 298.431 -0.018 20 0 CBADLP COCC[N@@H+]1CCN(C(=O)[C@H]2C[C@H](OC)C[NH2+]2)C[C@H]1C ZINC000187950835 352144207 /nfs/dbraw/zinc/14/42/07/352144207.db2.gz WOBXOJSPWOGALJ-FRRDWIJNSA-N 2 2 285.388 -0.458 20 0 CBADLP COCC[N@H+]1CCN(C(=O)[C@H]2C[C@H](OC)C[NH2+]2)C[C@H]1C ZINC000187950835 352144209 /nfs/dbraw/zinc/14/42/09/352144209.db2.gz WOBXOJSPWOGALJ-FRRDWIJNSA-N 2 2 285.388 -0.458 20 0 CBADLP CC[C@H](C)[N@H+](C)CCNC[C@@H](O)C[NH+]1CCOCC1 ZINC000219720011 352237831 /nfs/dbraw/zinc/23/78/31/352237831.db2.gz WOZNXNXRUIDHPS-UONOGXRCSA-N 2 2 273.421 -0.001 20 0 CBADLP CC[C@H](C)[N@@H+](C)CCNC[C@@H](O)C[NH+]1CCOCC1 ZINC000219720011 352237835 /nfs/dbraw/zinc/23/78/35/352237835.db2.gz WOZNXNXRUIDHPS-UONOGXRCSA-N 2 2 273.421 -0.001 20 0 CBADLP CCOC1CC(CNC(=O)C[NH+](C)C)([NH+]2CCOCC2)C1 ZINC000193022140 352203032 /nfs/dbraw/zinc/20/30/32/352203032.db2.gz TUPYDSIJEXVREC-UHFFFAOYSA-N 2 2 299.415 -0.066 20 0 CBADLP COC[C@H](C)NC(=O)NC(=O)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193633971 352207238 /nfs/dbraw/zinc/20/72/38/352207238.db2.gz DTQSMSHFKYWHHN-SDDRHHMPSA-N 2 2 298.387 -0.660 20 0 CBADLP COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193633971 352207239 /nfs/dbraw/zinc/20/72/39/352207239.db2.gz DTQSMSHFKYWHHN-SDDRHHMPSA-N 2 2 298.387 -0.660 20 0 CBADLP COC[C@H](C)NC(=O)NC(=O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193633971 352207242 /nfs/dbraw/zinc/20/72/42/352207242.db2.gz DTQSMSHFKYWHHN-SDDRHHMPSA-N 2 2 298.387 -0.660 20 0 CBADLP COC[C@H](C)NC(=O)NC(=O)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193633971 352207246 /nfs/dbraw/zinc/20/72/46/352207246.db2.gz DTQSMSHFKYWHHN-SDDRHHMPSA-N 2 2 298.387 -0.660 20 0 CBADLP COc1c(N)[nH+]cnc1NC[C@@](C)(O)C[NH+](C)C ZINC000228048834 352260581 /nfs/dbraw/zinc/26/05/81/352260581.db2.gz KMXIVDKCBYACSF-LLVKDONJSA-N 2 2 255.322 -0.208 20 0 CBADLP COc1c(N)nc[nH+]c1NC[C@@](C)(O)C[NH+](C)C ZINC000228048834 352260583 /nfs/dbraw/zinc/26/05/83/352260583.db2.gz KMXIVDKCBYACSF-LLVKDONJSA-N 2 2 255.322 -0.208 20 0 CBADLP COC[C@@H](O)CC[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000230136677 352271497 /nfs/dbraw/zinc/27/14/97/352271497.db2.gz GAQJAPQQCOKUDF-NSHDSACASA-N 2 2 256.350 -0.027 20 0 CBADLP CC(C)[C@@H](CCO)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000231041077 352275851 /nfs/dbraw/zinc/27/58/51/352275851.db2.gz KXWUDDHFBFXZEZ-GFCCVEGCSA-N 2 2 257.378 -0.243 20 0 CBADLP CC(C)C[C@H](CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)[NH+]1CCOCC1 ZINC000226820341 352253968 /nfs/dbraw/zinc/25/39/68/352253968.db2.gz SCFKIQMZXYXLCE-MGPQQGTHSA-N 2 2 299.415 -0.428 20 0 CBADLP O[C@H](C[NH2+]C[C@H](O)C[NH+]1CCCC1)C(F)(F)F ZINC000236531939 352290084 /nfs/dbraw/zinc/29/00/84/352290084.db2.gz YVUJADDVNYZXCH-DTWKUNHWSA-N 2 2 256.268 -0.044 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000236577267 352291427 /nfs/dbraw/zinc/29/14/27/352291427.db2.gz BMHUZBDHTJONOI-GFCCVEGCSA-N 2 2 268.361 -0.981 20 0 CBADLP CC[NH+]1CCC(N(C)C(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000236854622 352295445 /nfs/dbraw/zinc/29/54/45/352295445.db2.gz NVKNEAHOHLGIOR-UHFFFAOYSA-N 2 2 282.388 -0.639 20 0 CBADLP C[NH2+]C[C@H](C)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000237317046 352302981 /nfs/dbraw/zinc/30/29/81/352302981.db2.gz ZBOHUZDGASKRQE-LBPRGKRZSA-N 3 2 270.421 -0.016 20 0 CBADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)C(C)(C)[NH3+])CC1 ZINC000237393905 352304405 /nfs/dbraw/zinc/30/44/05/352304405.db2.gz CNXPGXSSQYVMSO-GFCCVEGCSA-N 2 2 296.415 -0.121 20 0 CBADLP C[C@H]([C@H](C)NC(=O)[C@@H]1COCC[NH2+]1)[NH+]1CCOCC1 ZINC000237462253 352305594 /nfs/dbraw/zinc/30/55/94/352305594.db2.gz IMILQKCQGAAGJD-TUAOUCFPSA-N 2 2 271.361 -0.800 20 0 CBADLP C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1COCC[NH2+]1 ZINC000237510099 352305695 /nfs/dbraw/zinc/30/56/95/352305695.db2.gz GNVKROKYONMCCF-RYUDHWBXSA-N 2 2 255.362 -0.035 20 0 CBADLP C[C@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1COCC[NH2+]1 ZINC000237510099 352305696 /nfs/dbraw/zinc/30/56/96/352305696.db2.gz GNVKROKYONMCCF-RYUDHWBXSA-N 2 2 255.362 -0.035 20 0 CBADLP C[C@H](CNC(=O)[C@H]1CCCC[NH2+]1)[NH+]1CCOCC1 ZINC000237463229 352306489 /nfs/dbraw/zinc/30/64/89/352306489.db2.gz BRPFRORBOXBHKY-VXGBXAGGSA-N 2 2 255.362 -0.035 20 0 CBADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)[C@@H]2COCC[NH2+]2)C[C@H](C)O1 ZINC000237655788 352308232 /nfs/dbraw/zinc/30/82/32/352308232.db2.gz NQSXNLOSSBLFTN-XQQFMLRXSA-N 2 2 299.415 -0.021 20 0 CBADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)[C@@H]2COCC[NH2+]2)C[C@H](C)O1 ZINC000237655788 352308235 /nfs/dbraw/zinc/30/82/35/352308235.db2.gz NQSXNLOSSBLFTN-XQQFMLRXSA-N 2 2 299.415 -0.021 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1CSC[NH2+]1)[NH+]1CCOCC1 ZINC000237600808 352308336 /nfs/dbraw/zinc/30/83/36/352308336.db2.gz HNHSXRJPCSDROJ-VHSXEESVSA-N 2 2 259.375 -0.514 20 0 CBADLP C[C@H]([C@H](C)NC(=O)C[NH2+]C1CC1)[NH+]1CCOCC1 ZINC000237630965 352308439 /nfs/dbraw/zinc/30/84/39/352308439.db2.gz XPVQZOKEZKTKBK-WDEREUQCSA-N 2 2 255.362 -0.036 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000246451856 352334211 /nfs/dbraw/zinc/33/42/11/352334211.db2.gz LZURPPNJPRQEOX-ZIAGYGMSSA-N 2 2 297.399 -0.502 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000246451856 352334213 /nfs/dbraw/zinc/33/42/13/352334213.db2.gz LZURPPNJPRQEOX-ZIAGYGMSSA-N 2 2 297.399 -0.502 20 0 CBADLP C[C@@H]1OCC[C@H]1[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000246519795 352334720 /nfs/dbraw/zinc/33/47/20/352334720.db2.gz UPAOYBNRTWTVOK-MELADBBJSA-N 2 2 297.399 -0.314 20 0 CBADLP C[C@@H]1C[NH+](CCCNC(=O)[C@H]2C[N@H+](C)CCO2)C[C@@H](C)O1 ZINC000247162306 352343640 /nfs/dbraw/zinc/34/36/40/352343640.db2.gz QMOMMERSYPOHRB-MGPQQGTHSA-N 2 2 299.415 -0.068 20 0 CBADLP C[C@@H]1C[NH+](CCCNC(=O)[C@H]2C[N@@H+](C)CCO2)C[C@@H](C)O1 ZINC000247162306 352343643 /nfs/dbraw/zinc/34/36/43/352343643.db2.gz QMOMMERSYPOHRB-MGPQQGTHSA-N 2 2 299.415 -0.068 20 0 CBADLP COC(=O)CNC(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248201852 352350550 /nfs/dbraw/zinc/35/05/50/352350550.db2.gz YYZGEVRDAJSXJD-NWDGAFQWSA-N 2 2 283.372 -0.308 20 0 CBADLP COC(=O)CNC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248201852 352350554 /nfs/dbraw/zinc/35/05/54/352350554.db2.gz YYZGEVRDAJSXJD-NWDGAFQWSA-N 2 2 283.372 -0.308 20 0 CBADLP COC(=O)CNC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248201852 352350556 /nfs/dbraw/zinc/35/05/56/352350556.db2.gz YYZGEVRDAJSXJD-NWDGAFQWSA-N 2 2 283.372 -0.308 20 0 CBADLP COC(=O)CNC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248201852 352350559 /nfs/dbraw/zinc/35/05/59/352350559.db2.gz YYZGEVRDAJSXJD-NWDGAFQWSA-N 2 2 283.372 -0.308 20 0 CBADLP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC000249389121 352364262 /nfs/dbraw/zinc/36/42/62/352364262.db2.gz QJXJRDOUZMQBOE-QWHCGFSZSA-N 2 2 299.415 -0.379 20 0 CBADLP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC000249389121 352364266 /nfs/dbraw/zinc/36/42/66/352364266.db2.gz QJXJRDOUZMQBOE-QWHCGFSZSA-N 2 2 299.415 -0.379 20 0 CBADLP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000249389121 352364268 /nfs/dbraw/zinc/36/42/68/352364268.db2.gz QJXJRDOUZMQBOE-QWHCGFSZSA-N 2 2 299.415 -0.379 20 0 CBADLP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000249389121 352364271 /nfs/dbraw/zinc/36/42/71/352364271.db2.gz QJXJRDOUZMQBOE-QWHCGFSZSA-N 2 2 299.415 -0.379 20 0 CBADLP C[C@@H]1CN(CC[N@@H+]2CCO[C@@H](C)C2)CC[NH+]1CCO ZINC000249362514 352364406 /nfs/dbraw/zinc/36/44/06/352364406.db2.gz VAHZEVJHDRRLJH-KGLIPLIRSA-N 2 2 271.405 -0.295 20 0 CBADLP C[C@@H]1CN(CC[N@H+]2CCO[C@@H](C)C2)CC[NH+]1CCO ZINC000249362514 352364409 /nfs/dbraw/zinc/36/44/09/352364409.db2.gz VAHZEVJHDRRLJH-KGLIPLIRSA-N 2 2 271.405 -0.295 20 0 CBADLP C[C@@H]1CN(CC[NH+]2CCO[C@@H](C)C2)CC[N@@H+]1CCO ZINC000249362514 352364413 /nfs/dbraw/zinc/36/44/13/352364413.db2.gz VAHZEVJHDRRLJH-KGLIPLIRSA-N 2 2 271.405 -0.295 20 0 CBADLP C[C@@H]1CN(CC[NH+]2CCO[C@@H](C)C2)CC[N@H+]1CCO ZINC000249362514 352364415 /nfs/dbraw/zinc/36/44/15/352364415.db2.gz VAHZEVJHDRRLJH-KGLIPLIRSA-N 2 2 271.405 -0.295 20 0 CBADLP CN1CC[N@H+](C)[C@H](CNC(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000250363992 352372041 /nfs/dbraw/zinc/37/20/41/352372041.db2.gz FAOXJPHZWKMHLV-VXGBXAGGSA-N 2 2 254.378 -0.510 20 0 CBADLP CN1CC[N@@H+](C)[C@H](CNC(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000250363992 352372044 /nfs/dbraw/zinc/37/20/44/352372044.db2.gz FAOXJPHZWKMHLV-VXGBXAGGSA-N 2 2 254.378 -0.510 20 0 CBADLP CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000250275030 352372060 /nfs/dbraw/zinc/37/20/60/352372060.db2.gz IHJXPMVQDQHCLY-VHSXEESVSA-N 2 2 256.350 -0.109 20 0 CBADLP CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000250275030 352372061 /nfs/dbraw/zinc/37/20/61/352372061.db2.gz IHJXPMVQDQHCLY-VHSXEESVSA-N 2 2 256.350 -0.109 20 0 CBADLP C[C@@H]1C[N@H+](CC(=O)NC(=O)NC2CC2)CC[C@H]1[NH3+] ZINC000251529397 352374970 /nfs/dbraw/zinc/37/49/70/352374970.db2.gz AGSOQUWNIPLLHY-PSASIEDQSA-N 2 2 254.334 -0.356 20 0 CBADLP C[C@@H]1C[N@@H+](CC(=O)NC(=O)NC2CC2)CC[C@H]1[NH3+] ZINC000251529397 352374972 /nfs/dbraw/zinc/37/49/72/352374972.db2.gz AGSOQUWNIPLLHY-PSASIEDQSA-N 2 2 254.334 -0.356 20 0 CBADLP CCCNC(=O)NC(=O)C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252785082 352379265 /nfs/dbraw/zinc/37/92/65/352379265.db2.gz UPGZRKWBKNWHIX-VHSXEESVSA-N 2 2 256.350 -0.109 20 0 CBADLP CCCNC(=O)NC(=O)C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252785082 352379267 /nfs/dbraw/zinc/37/92/67/352379267.db2.gz UPGZRKWBKNWHIX-VHSXEESVSA-N 2 2 256.350 -0.109 20 0 CBADLP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2csnn2)C1 ZINC000261563920 352388180 /nfs/dbraw/zinc/38/81/80/352388180.db2.gz HBAWTWNWIBMNAU-VIFPVBQESA-N 2 2 269.374 -0.175 20 0 CBADLP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2csnn2)C1 ZINC000261563920 352388183 /nfs/dbraw/zinc/38/81/83/352388183.db2.gz HBAWTWNWIBMNAU-VIFPVBQESA-N 2 2 269.374 -0.175 20 0 CBADLP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)N1CCOCC1 ZINC000261585205 352389259 /nfs/dbraw/zinc/38/92/59/352389259.db2.gz SVAIBNVMHKICCY-NWDGAFQWSA-N 2 2 253.346 -0.614 20 0 CBADLP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)N1CCOCC1 ZINC000261585205 352389263 /nfs/dbraw/zinc/38/92/63/352389263.db2.gz SVAIBNVMHKICCY-NWDGAFQWSA-N 2 2 253.346 -0.614 20 0 CBADLP C[C@@H]([NH3+])C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000261780471 352396749 /nfs/dbraw/zinc/39/67/49/352396749.db2.gz JLYXJRLSORRDDW-SECBINFHSA-N 2 2 289.343 -0.641 20 0 CBADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000261790520 352396792 /nfs/dbraw/zinc/39/67/92/352396792.db2.gz QEHGAHBVKIFDSN-CQSZACIVSA-N 3 2 280.416 -0.118 20 0 CBADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000261790520 352396796 /nfs/dbraw/zinc/39/67/96/352396796.db2.gz QEHGAHBVKIFDSN-CQSZACIVSA-N 3 2 280.416 -0.118 20 0 CBADLP C[C@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)C[C@H]1[NH+]1CCOCC1 ZINC000262195212 352410264 /nfs/dbraw/zinc/41/02/64/352410264.db2.gz ZXICATWKZGQPPR-DGAVXFQQSA-N 2 2 297.399 -0.328 20 0 CBADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)C2C[NH2+]C2)CC1 ZINC000262231428 352411161 /nfs/dbraw/zinc/41/11/61/352411161.db2.gz MHJFAJFBAVUUNT-GFCCVEGCSA-N 2 2 294.399 -0.639 20 0 CBADLP COC[C@@H]([NH3+])C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000262364555 352417841 /nfs/dbraw/zinc/41/78/41/352417841.db2.gz VZKLQDUZXWUXLQ-SNVBAGLBSA-N 2 2 267.333 -0.972 20 0 CBADLP C[C@@H](C[NH3+])C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000262435752 352421198 /nfs/dbraw/zinc/42/11/98/352421198.db2.gz UJMXKIDGSHVULL-RYUDHWBXSA-N 2 2 255.362 -0.096 20 0 CBADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)CC[NH2+]C)CC1 ZINC000262453011 352422739 /nfs/dbraw/zinc/42/27/39/352422739.db2.gz WEGAFXIENCAMMI-UHFFFAOYSA-N 2 2 284.404 -0.392 20 0 CBADLP C[NH2+]CCC(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000262575775 352426225 /nfs/dbraw/zinc/42/62/25/352426225.db2.gz SYZOUPISTUYUKU-LLVKDONJSA-N 2 2 282.388 -0.593 20 0 CBADLP CCC[C@](C)([NH3+])C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000262600498 352427438 /nfs/dbraw/zinc/42/74/38/352427438.db2.gz YJJOMFRXPHDJDY-JSGCOSHPSA-N 2 2 287.404 -0.345 20 0 CBADLP C[C@H](CNC(=O)[C@H]1CSC[NH2+]1)C[NH+]1CCN(C)CC1 ZINC000262665920 352430512 /nfs/dbraw/zinc/43/05/12/352430512.db2.gz NJFVAKYKDCHSDE-VXGBXAGGSA-N 2 2 286.445 -0.351 20 0 CBADLP C[C@H](CNC(=O)[C@H]1CSC[NH2+]1)CN1CC[NH+](C)CC1 ZINC000262665920 352430515 /nfs/dbraw/zinc/43/05/15/352430515.db2.gz NJFVAKYKDCHSDE-VXGBXAGGSA-N 2 2 286.445 -0.351 20 0 CBADLP C[NH+]1CCN(C(=O)CC2CC[NH+](CC[NH3+])CC2)CC1 ZINC000262969184 352436379 /nfs/dbraw/zinc/43/63/79/352436379.db2.gz LQFUVZGCCYHCMZ-UHFFFAOYSA-N 3 2 268.405 -0.179 20 0 CBADLP COCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263183169 352438809 /nfs/dbraw/zinc/43/88/09/352438809.db2.gz GYQRBLTTYKKDSL-VHSXEESVSA-N 2 2 277.315 -0.180 20 0 CBADLP COCC[N@H+]1CC[C@H](NC(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263183169 352438812 /nfs/dbraw/zinc/43/88/12/352438812.db2.gz GYQRBLTTYKKDSL-VHSXEESVSA-N 2 2 277.315 -0.180 20 0 CBADLP CCNC(=O)CN1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000261994367 352403323 /nfs/dbraw/zinc/40/33/23/352403323.db2.gz KPSNNVJCAFHSSI-CQSZACIVSA-N 2 2 268.405 -0.260 20 0 CBADLP CCNC(=O)C[NH+]1CCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000261994367 352403325 /nfs/dbraw/zinc/40/33/25/352403325.db2.gz KPSNNVJCAFHSSI-CQSZACIVSA-N 2 2 268.405 -0.260 20 0 CBADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000262076914 352406154 /nfs/dbraw/zinc/40/61/54/352406154.db2.gz CEMICRWSDOJOIF-NEPJUHHUSA-N 2 2 285.388 -0.410 20 0 CBADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000262076914 352406157 /nfs/dbraw/zinc/40/61/57/352406157.db2.gz CEMICRWSDOJOIF-NEPJUHHUSA-N 2 2 285.388 -0.410 20 0 CBADLP C[N@H+](CC(=O)N1CCOCC1)C[C@@]1(C)CC[NH2+]C1 ZINC000262075383 352406524 /nfs/dbraw/zinc/40/65/24/352406524.db2.gz SNUOACIFAKNHLX-ZDUSSCGKSA-N 2 2 255.362 -0.223 20 0 CBADLP C[N@@H+](CC(=O)N1CCOCC1)C[C@@]1(C)CC[NH2+]C1 ZINC000262075383 352406526 /nfs/dbraw/zinc/40/65/26/352406526.db2.gz SNUOACIFAKNHLX-ZDUSSCGKSA-N 2 2 255.362 -0.223 20 0 CBADLP O=C(NCc1cn2ccccc2[nH+]1)[C@@H]1COCC[NH2+]1 ZINC000269230799 352464245 /nfs/dbraw/zinc/46/42/45/352464245.db2.gz HWWTVMZDAILLIT-NSHDSACASA-N 2 2 260.297 -0.061 20 0 CBADLP Cc1ccc2[nH+]c(CNC(=O)[C@@H]3C[C@H](O)C[NH2+]3)cn2c1 ZINC000269266879 352465151 /nfs/dbraw/zinc/46/51/51/352465151.db2.gz ZFMNFDFNRYWZSO-RYUDHWBXSA-N 2 2 274.324 -0.018 20 0 CBADLP C[C@H](O)C[NH+]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000283035438 352616538 /nfs/dbraw/zinc/61/65/38/352616538.db2.gz IOZGWFBBCLDTCV-VUDBWIFFSA-N 2 2 264.329 -0.052 20 0 CBADLP C[NH+](C)CC(=O)N1CCN(c2nc[nH+]c(N)c2Cl)CC1 ZINC000277407735 352568899 /nfs/dbraw/zinc/56/88/99/352568899.db2.gz KEZDNUJLBKTIRT-UHFFFAOYSA-N 2 2 298.778 -0.078 20 0 CBADLP CO[C@H](C[NH3+])C(=O)N1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000290056577 352671409 /nfs/dbraw/zinc/67/14/09/352671409.db2.gz UKAXVPURHXCVIC-CYBMUJFWSA-N 2 2 296.371 -0.091 20 0 CBADLP CO[C@@H](C[NH3+])C(=O)N1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000290056579 352671604 /nfs/dbraw/zinc/67/16/04/352671604.db2.gz UKAXVPURHXCVIC-ZDUSSCGKSA-N 2 2 296.371 -0.091 20 0 CBADLP Cn1cc[nH+]c1CNC(=O)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000286912477 352652047 /nfs/dbraw/zinc/65/20/47/352652047.db2.gz PPHTXLSMCVECKN-NSHDSACASA-N 2 2 291.355 -0.657 20 0 CBADLP Cn1cc[nH+]c1CNC(=O)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000286912477 352652049 /nfs/dbraw/zinc/65/20/49/352652049.db2.gz PPHTXLSMCVECKN-NSHDSACASA-N 2 2 291.355 -0.657 20 0 CBADLP COC(=O)CC[C@H]([NH3+])C(=O)NCCNc1cccc[nH+]1 ZINC000289685867 352666276 /nfs/dbraw/zinc/66/62/76/352666276.db2.gz DTJBQSJTJYMXOF-JTQLQIEISA-N 2 2 280.328 -0.110 20 0 CBADLP CC[NH+](CC)CCNC(=O)C(=O)NCc1[nH+]ccn1C ZINC000283688123 352629073 /nfs/dbraw/zinc/62/90/73/352629073.db2.gz GUROIDFIVCVPGA-UHFFFAOYSA-N 2 2 281.360 -0.506 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N(C)CC[NH+](C)C ZINC000283752904 352630098 /nfs/dbraw/zinc/63/00/98/352630098.db2.gz AFQRVNOLJNRFTE-NSHDSACASA-N 2 2 281.360 -0.592 20 0 CBADLP C[NH+](C)[C@H]1CCCN(C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000304060953 352745621 /nfs/dbraw/zinc/74/56/21/352745621.db2.gz PAJNJGGXBHYJNR-KBPBESRZSA-N 2 2 271.405 -0.295 20 0 CBADLP C[N@H+](C[C@@H](O)C[NH2+]CCCS(C)(=O)=O)C1CC1 ZINC000310258804 352758328 /nfs/dbraw/zinc/75/83/28/352758328.db2.gz LOBDOYRNUKYQQC-NSHDSACASA-N 2 2 264.391 -0.534 20 0 CBADLP C[N@@H+](C[C@@H](O)C[NH2+]CCCS(C)(=O)=O)C1CC1 ZINC000310258804 352758331 /nfs/dbraw/zinc/75/83/31/352758331.db2.gz LOBDOYRNUKYQQC-NSHDSACASA-N 2 2 264.391 -0.534 20 0 CBADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000310990320 352763759 /nfs/dbraw/zinc/76/37/59/352763759.db2.gz HNUYKZAGUDZVCV-GFCCVEGCSA-N 2 2 252.318 -0.496 20 0 CBADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000310990320 352763762 /nfs/dbraw/zinc/76/37/62/352763762.db2.gz HNUYKZAGUDZVCV-GFCCVEGCSA-N 2 2 252.318 -0.496 20 0 CBADLP CC[N@@H+]1CCN(C[C@@H](O)C[NH+]2CCOCC2)C[C@@H]1C ZINC000311250765 352767069 /nfs/dbraw/zinc/76/70/69/352767069.db2.gz IDRHGELYALNHRI-KBPBESRZSA-N 2 2 271.405 -0.295 20 0 CBADLP CC[N@H+]1CCN(C[C@@H](O)C[NH+]2CCOCC2)C[C@@H]1C ZINC000311250765 352767074 /nfs/dbraw/zinc/76/70/74/352767074.db2.gz IDRHGELYALNHRI-KBPBESRZSA-N 2 2 271.405 -0.295 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000311722621 352770162 /nfs/dbraw/zinc/77/01/62/352770162.db2.gz PPSYOLCZSPNBMF-FQUUOJAGSA-N 2 2 272.389 -0.372 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000311722621 352770166 /nfs/dbraw/zinc/77/01/66/352770166.db2.gz PPSYOLCZSPNBMF-FQUUOJAGSA-N 2 2 272.389 -0.372 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000311722621 352770168 /nfs/dbraw/zinc/77/01/68/352770168.db2.gz PPSYOLCZSPNBMF-FQUUOJAGSA-N 2 2 272.389 -0.372 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000311722621 352770172 /nfs/dbraw/zinc/77/01/72/352770172.db2.gz PPSYOLCZSPNBMF-FQUUOJAGSA-N 2 2 272.389 -0.372 20 0 CBADLP CC1(C)NC(=O)N(CC[N@@H+]2CCCO[C@@H](C[NH3+])C2)C1=O ZINC000313337646 352777175 /nfs/dbraw/zinc/77/71/75/352777175.db2.gz JMCCKXYEYGSPQV-JTQLQIEISA-N 2 2 284.360 -0.634 20 0 CBADLP CC1(C)NC(=O)N(CC[N@H+]2CCCO[C@@H](C[NH3+])C2)C1=O ZINC000313337646 352777179 /nfs/dbraw/zinc/77/71/79/352777179.db2.gz JMCCKXYEYGSPQV-JTQLQIEISA-N 2 2 284.360 -0.634 20 0 CBADLP CC(=O)N1CCC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000311875878 352771607 /nfs/dbraw/zinc/77/16/07/352771607.db2.gz MIKYRSZTPHOFQF-AWEZNQCLSA-N 2 2 269.389 -0.004 20 0 CBADLP CC(=O)N1CCC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000311875878 352771610 /nfs/dbraw/zinc/77/16/10/352771610.db2.gz MIKYRSZTPHOFQF-AWEZNQCLSA-N 2 2 269.389 -0.004 20 0 CBADLP CC(=O)N1CCC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)CC1 ZINC000311875878 352771614 /nfs/dbraw/zinc/77/16/14/352771614.db2.gz MIKYRSZTPHOFQF-AWEZNQCLSA-N 2 2 269.389 -0.004 20 0 CBADLP CC(=O)N1CCC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)CC1 ZINC000311875878 352771617 /nfs/dbraw/zinc/77/16/17/352771617.db2.gz MIKYRSZTPHOFQF-AWEZNQCLSA-N 2 2 269.389 -0.004 20 0 CBADLP O[C@H](CN1CC[NH+](C2CCC2)CC1)C[NH+]1CCOCC1 ZINC000312150243 352773914 /nfs/dbraw/zinc/77/39/14/352773914.db2.gz ROZGPPHKGYRDSY-OAHLLOKOSA-N 2 2 283.416 -0.150 20 0 CBADLP C[C@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC[N@@H+]1CCO ZINC000330296792 352812643 /nfs/dbraw/zinc/81/26/43/352812643.db2.gz GMBWFNFFVBMSAH-STQMWFEESA-N 2 2 292.383 -0.030 20 0 CBADLP C[C@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC[N@H+]1CCO ZINC000330296792 352812646 /nfs/dbraw/zinc/81/26/46/352812646.db2.gz GMBWFNFFVBMSAH-STQMWFEESA-N 2 2 292.383 -0.030 20 0 CBADLP C[C@@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)CCN1CCO ZINC000330426437 352822486 /nfs/dbraw/zinc/82/24/86/352822486.db2.gz FACDIJSSUXBSTL-CQSZACIVSA-N 2 2 298.431 -0.851 20 0 CBADLP C[C@@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)CCN1CCO ZINC000330426437 352822490 /nfs/dbraw/zinc/82/24/90/352822490.db2.gz FACDIJSSUXBSTL-CQSZACIVSA-N 2 2 298.431 -0.851 20 0 CBADLP C[C@@H]1CN(CCC(=O)N2CC[NH+](C)CC2)CC[N@@H+]1CCO ZINC000330426437 352822493 /nfs/dbraw/zinc/82/24/93/352822493.db2.gz FACDIJSSUXBSTL-CQSZACIVSA-N 2 2 298.431 -0.851 20 0 CBADLP C[C@@H]1CN(CCC(=O)N2CC[NH+](C)CC2)CC[N@H+]1CCO ZINC000330426437 352822496 /nfs/dbraw/zinc/82/24/96/352822496.db2.gz FACDIJSSUXBSTL-CQSZACIVSA-N 2 2 298.431 -0.851 20 0 CBADLP Cn1cc[nH+]c1N1CC[NH+](Cc2cnnn2C)CC1 ZINC000329780041 352794388 /nfs/dbraw/zinc/79/43/88/352794388.db2.gz MJKOKPBXADAAAO-UHFFFAOYSA-N 2 2 261.333 -0.129 20 0 CBADLP C[C@@H]1OCC[C@@H]1[N@H+](CCO)CC(=O)N1CC[NH+](C)CC1 ZINC000330134356 352805998 /nfs/dbraw/zinc/80/59/98/352805998.db2.gz RXDCEHXQBQVCDG-STQMWFEESA-N 2 2 285.388 -0.768 20 0 CBADLP C[C@@H]1OCC[C@@H]1[N@@H+](CCO)CC(=O)N1CC[NH+](C)CC1 ZINC000330134356 352806001 /nfs/dbraw/zinc/80/60/01/352806001.db2.gz RXDCEHXQBQVCDG-STQMWFEESA-N 2 2 285.388 -0.768 20 0 CBADLP CC[C@@H](CO)[NH+]1CCN(C(=O)[C@@H]2C[C@H](OC)C[N@@H+]2C)CC1 ZINC000330579552 352852197 /nfs/dbraw/zinc/85/21/97/352852197.db2.gz PQDBKGSSAXTPAQ-IHRRRGAJSA-N 2 2 299.415 -0.379 20 0 CBADLP CC[C@@H](CO)[NH+]1CCN(C(=O)[C@@H]2C[C@H](OC)C[N@H+]2C)CC1 ZINC000330579552 352852199 /nfs/dbraw/zinc/85/21/99/352852199.db2.gz PQDBKGSSAXTPAQ-IHRRRGAJSA-N 2 2 299.415 -0.379 20 0 CBADLP C[NH+](C)CC(=O)NC[C@@H]1CCCN(C(=O)C[NH+](C)C)C1 ZINC000330974601 352862535 /nfs/dbraw/zinc/86/25/35/352862535.db2.gz GWXOLGRSKBKSSH-LBPRGKRZSA-N 2 2 284.404 -0.536 20 0 CBADLP CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000331557256 352923847 /nfs/dbraw/zinc/92/38/47/352923847.db2.gz GEASYHCHEFYDAJ-ZDUSSCGKSA-N 2 2 268.361 -0.092 20 0 CBADLP CCNC(=O)NC(=O)C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000331557256 352923851 /nfs/dbraw/zinc/92/38/51/352923851.db2.gz GEASYHCHEFYDAJ-ZDUSSCGKSA-N 2 2 268.361 -0.092 20 0 CBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C[NH+](C)C)C[C@H]1C ZINC000331262107 352897735 /nfs/dbraw/zinc/89/77/35/352897735.db2.gz DCYGRSNMOVYQAX-LLVKDONJSA-N 2 2 271.361 -0.356 20 0 CBADLP COC(=O)CC[N@H+]1CCN(C(=O)C[NH+](C)C)C[C@H]1C ZINC000331262107 352897737 /nfs/dbraw/zinc/89/77/37/352897737.db2.gz DCYGRSNMOVYQAX-LLVKDONJSA-N 2 2 271.361 -0.356 20 0 CBADLP C[C@@H](O)C[NH+]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000331267984 352899063 /nfs/dbraw/zinc/89/90/63/352899063.db2.gz DFYHOECWZXZIKN-ZIAGYGMSSA-N 2 2 299.415 -0.520 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000332626682 352970370 /nfs/dbraw/zinc/97/03/70/352970370.db2.gz PVIPOAVKYFBPHR-KBPBESRZSA-N 2 2 299.415 -0.208 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000332611656 352969096 /nfs/dbraw/zinc/96/90/96/352969096.db2.gz LSLFSXFLSHPCBJ-QWHCGFSZSA-N 2 2 294.399 -0.639 20 0 CBADLP C[C@]1(F)C[NH2+]CCN(C(=O)NCC(F)(F)C[NH3+])C1 ZINC000335420833 353032689 /nfs/dbraw/zinc/03/26/89/353032689.db2.gz JBYVVOBINDJMCO-VIFPVBQESA-N 2 2 268.283 -0.077 20 0 CBADLP C[C@@]1(F)C[NH2+]CCN(C(=O)NCC(F)(F)C[NH3+])C1 ZINC000335420828 353032760 /nfs/dbraw/zinc/03/27/60/353032760.db2.gz JBYVVOBINDJMCO-SECBINFHSA-N 2 2 268.283 -0.077 20 0 CBADLP CCN1C[C@H]([NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)CC1=O ZINC000333551753 353003606 /nfs/dbraw/zinc/00/36/06/353003606.db2.gz MQOWTPLLOAQDGI-QJPTWQEYSA-N 2 2 255.362 -0.036 20 0 CBADLP O=C(NCC1([NH+]2CCOCC2)CC1)N[C@H]1CCC[NH2+]C1 ZINC000333818524 353011478 /nfs/dbraw/zinc/01/14/78/353011478.db2.gz QSGRJFJVDAMYCV-LBPRGKRZSA-N 2 2 282.388 -0.098 20 0 CBADLP C[N@H+](C[C@H](O)C[NH+]1CCC[C@H](OCCO)C1)C1CC1 ZINC000336819419 353059802 /nfs/dbraw/zinc/05/98/02/353059802.db2.gz ZREUXODDGBJYSY-KBPBESRZSA-N 2 2 272.389 -0.085 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@H](OCCO)C1)C1CC1 ZINC000336819419 353059804 /nfs/dbraw/zinc/05/98/04/353059804.db2.gz ZREUXODDGBJYSY-KBPBESRZSA-N 2 2 272.389 -0.085 20 0 CBADLP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@H](OCCO)C1)C1CC1 ZINC000336819419 353059805 /nfs/dbraw/zinc/05/98/05/353059805.db2.gz ZREUXODDGBJYSY-KBPBESRZSA-N 2 2 272.389 -0.085 20 0 CBADLP C[NH+](C[C@H](O)C[N@H+]1CCC[C@H](OCCO)C1)C1CC1 ZINC000336819419 353059808 /nfs/dbraw/zinc/05/98/08/353059808.db2.gz ZREUXODDGBJYSY-KBPBESRZSA-N 2 2 272.389 -0.085 20 0 CBADLP C(C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1)N1CCOCC1 ZINC000336825066 353060067 /nfs/dbraw/zinc/06/00/67/353060067.db2.gz WYSUBOYLHUXBAQ-HNNXBMFYSA-N 2 2 283.416 -0.027 20 0 CBADLP C(C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1)N1CCOCC1 ZINC000336825066 353060070 /nfs/dbraw/zinc/06/00/70/353060070.db2.gz WYSUBOYLHUXBAQ-HNNXBMFYSA-N 2 2 283.416 -0.027 20 0 CBADLP O=C1NCCN1CC[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000336842977 353063368 /nfs/dbraw/zinc/06/33/68/353063368.db2.gz VVLQXLZUHTXBLG-UHFFFAOYSA-N 2 2 278.360 -0.448 20 0 CBADLP O=C(C(=O)N1CC[NH+](C2CCC2)CC1)N1CC[NH2+]CC1 ZINC000336891408 353064623 /nfs/dbraw/zinc/06/46/23/353064623.db2.gz IREBJZLPFWRZPZ-UHFFFAOYSA-N 2 2 280.372 -0.885 20 0 CBADLP OCCOCC[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000336726710 353049452 /nfs/dbraw/zinc/04/94/52/353049452.db2.gz LPSLWRWDERTGNX-UHFFFAOYSA-N 2 2 254.334 -0.464 20 0 CBADLP O=C1NCCC[C@H]1[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000336803634 353056329 /nfs/dbraw/zinc/05/63/29/353056329.db2.gz ZCWGRDXEFZMTCK-CHWSQXEVSA-N 2 2 267.373 -0.081 20 0 CBADLP O=C1NCCC[C@H]1[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000336803634 353056333 /nfs/dbraw/zinc/05/63/33/353056333.db2.gz ZCWGRDXEFZMTCK-CHWSQXEVSA-N 2 2 267.373 -0.081 20 0 CBADLP COCC1(O)CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000336808561 353057392 /nfs/dbraw/zinc/05/73/92/353057392.db2.gz CGDQZNHRROMBPR-CYBMUJFWSA-N 2 2 272.389 -0.085 20 0 CBADLP COCC1(O)CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000336808561 353057397 /nfs/dbraw/zinc/05/73/97/353057397.db2.gz CGDQZNHRROMBPR-CYBMUJFWSA-N 2 2 272.389 -0.085 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@](F)(CO)C2)CC1 ZINC000338594641 353107457 /nfs/dbraw/zinc/10/74/57/353107457.db2.gz ZVQKNISZYBBDBV-TZMCWYRMSA-N 2 2 287.379 -0.055 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@](F)(CO)C2)CC1 ZINC000338594641 353107458 /nfs/dbraw/zinc/10/74/58/353107458.db2.gz ZVQKNISZYBBDBV-TZMCWYRMSA-N 2 2 287.379 -0.055 20 0 CBADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338172803 353087768 /nfs/dbraw/zinc/08/77/68/353087768.db2.gz JXJKHKXSHUFXOB-CYBMUJFWSA-N 2 2 298.431 -0.541 20 0 CBADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338172803 353087770 /nfs/dbraw/zinc/08/77/70/353087770.db2.gz JXJKHKXSHUFXOB-CYBMUJFWSA-N 2 2 298.431 -0.541 20 0 CBADLP CC(C)N1CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)CC1=O ZINC000338292455 353093626 /nfs/dbraw/zinc/09/36/26/353093626.db2.gz OKUOQFOYVODBSL-UHFFFAOYSA-N 2 2 296.415 -0.297 20 0 CBADLP CC(C)N1CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)CC1=O ZINC000338292455 353093631 /nfs/dbraw/zinc/09/36/31/353093631.db2.gz OKUOQFOYVODBSL-UHFFFAOYSA-N 2 2 296.415 -0.297 20 0 CBADLP CCN1CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)CC1=O ZINC000338303648 353094454 /nfs/dbraw/zinc/09/44/54/353094454.db2.gz WBEDXJVWJHFCFO-UHFFFAOYSA-N 2 2 282.388 -0.685 20 0 CBADLP CCN1CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)CC1=O ZINC000338303648 353094456 /nfs/dbraw/zinc/09/44/56/353094456.db2.gz WBEDXJVWJHFCFO-UHFFFAOYSA-N 2 2 282.388 -0.685 20 0 CBADLP CC[N@H+](CCC(=O)N1CC[NH+](C)CC1)CC(=O)OC ZINC000338301859 353094489 /nfs/dbraw/zinc/09/44/89/353094489.db2.gz AMASESHBTASHPP-UHFFFAOYSA-N 2 2 271.361 -0.355 20 0 CBADLP CC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)CC(=O)OC ZINC000338301859 353094492 /nfs/dbraw/zinc/09/44/92/353094492.db2.gz AMASESHBTASHPP-UHFFFAOYSA-N 2 2 271.361 -0.355 20 0 CBADLP COC(=O)[C@@H](C)[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000338378430 353099146 /nfs/dbraw/zinc/09/91/46/353099146.db2.gz VSRKRULEQGYMLU-LLVKDONJSA-N 2 2 271.361 -0.356 20 0 CBADLP COC(=O)[C@@H](C)[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000338378430 353099148 /nfs/dbraw/zinc/09/91/48/353099148.db2.gz VSRKRULEQGYMLU-LLVKDONJSA-N 2 2 271.361 -0.356 20 0 CBADLP CC[NH+]1CCC(NC(=O)C[N@H+](C)[C@@H]2CCNC2=O)CC1 ZINC000340225851 353158997 /nfs/dbraw/zinc/15/89/97/353158997.db2.gz NOOAEADJMLQMOG-GFCCVEGCSA-N 2 2 282.388 -0.593 20 0 CBADLP CC[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@H]2CCNC2=O)CC1 ZINC000340225851 353158999 /nfs/dbraw/zinc/15/89/99/353158999.db2.gz NOOAEADJMLQMOG-GFCCVEGCSA-N 2 2 282.388 -0.593 20 0 CBADLP CC[C@@H](Cn1cncn1)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000340472786 353172042 /nfs/dbraw/zinc/17/20/42/353172042.db2.gz BOEZIGWHHUBALR-QWHCGFSZSA-N 2 2 294.403 -0.014 20 0 CBADLP CC[C@@H](Cn1cncn1)[NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000340472786 353172043 /nfs/dbraw/zinc/17/20/43/353172043.db2.gz BOEZIGWHHUBALR-QWHCGFSZSA-N 2 2 294.403 -0.014 20 0 CBADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC[NH+](C)CC2)CC1 ZINC000340251694 353160936 /nfs/dbraw/zinc/16/09/36/353160936.db2.gz UEPYATMXCOVQOK-UHFFFAOYSA-N 3 2 297.447 -0.031 20 0 CBADLP O[C@@H]1COC[C@H]1[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000340293179 353163059 /nfs/dbraw/zinc/16/30/59/353163059.db2.gz XQCARWWCGDIOGV-YNEHKIRRSA-N 2 2 256.346 -0.600 20 0 CBADLP O[C@@H]1COC[C@H]1[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000340293179 353163061 /nfs/dbraw/zinc/16/30/61/353163061.db2.gz XQCARWWCGDIOGV-YNEHKIRRSA-N 2 2 256.346 -0.600 20 0 CBADLP CC(C)(CNC(=O)C[N@H+](CCO)C1CC1)[NH+]1CCOCC1 ZINC000340589227 353178813 /nfs/dbraw/zinc/17/88/13/353178813.db2.gz PPLOGBNRNVHTIN-UHFFFAOYSA-N 2 2 299.415 -0.330 20 0 CBADLP CC(C)(CNC(=O)C[N@@H+](CCO)C1CC1)[NH+]1CCOCC1 ZINC000340589227 353178815 /nfs/dbraw/zinc/17/88/15/353178815.db2.gz PPLOGBNRNVHTIN-UHFFFAOYSA-N 2 2 299.415 -0.330 20 0 CBADLP COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C[N@H+](C)C(C)C ZINC000340590278 353178855 /nfs/dbraw/zinc/17/88/55/353178855.db2.gz PCUOFEUZDRRDPB-NSHDSACASA-N 2 2 282.344 -0.050 20 0 CBADLP COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C[N@@H+](C)C(C)C ZINC000340590278 353178857 /nfs/dbraw/zinc/17/88/57/353178857.db2.gz PCUOFEUZDRRDPB-NSHDSACASA-N 2 2 282.344 -0.050 20 0 CBADLP COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C[N@H+](C)C(C)C ZINC000340590278 353178859 /nfs/dbraw/zinc/17/88/59/353178859.db2.gz PCUOFEUZDRRDPB-NSHDSACASA-N 2 2 282.344 -0.050 20 0 CBADLP COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C[N@@H+](C)C(C)C ZINC000340590278 353178861 /nfs/dbraw/zinc/17/88/61/353178861.db2.gz PCUOFEUZDRRDPB-NSHDSACASA-N 2 2 282.344 -0.050 20 0 CBADLP C[C@H]1C[C@H](O)C[N@@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000340927824 353193411 /nfs/dbraw/zinc/19/34/11/353193411.db2.gz PZQZHJQYSJHMGC-STQMWFEESA-N 2 2 299.415 -0.332 20 0 CBADLP C[C@H]1C[C@H](O)C[N@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000340927824 353193415 /nfs/dbraw/zinc/19/34/15/353193415.db2.gz PZQZHJQYSJHMGC-STQMWFEESA-N 2 2 299.415 -0.332 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH+]1CCOCC1 ZINC000341069204 353200438 /nfs/dbraw/zinc/20/04/38/353200438.db2.gz WCYTVDGEXNWCFB-NEPJUHHUSA-N 2 2 255.362 -0.368 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH+]1CCOCC1 ZINC000341069204 353200440 /nfs/dbraw/zinc/20/04/40/353200440.db2.gz WCYTVDGEXNWCFB-NEPJUHHUSA-N 2 2 255.362 -0.368 20 0 CBADLP COC(=O)c1cn(CC[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)nn1 ZINC000341277909 353208212 /nfs/dbraw/zinc/20/82/12/353208212.db2.gz SVLNWUCHLXSKFD-UWVGGRQHSA-N 2 2 267.333 -0.396 20 0 CBADLP COC(=O)c1cn(CC[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)nn1 ZINC000341277909 353208213 /nfs/dbraw/zinc/20/82/13/353208213.db2.gz SVLNWUCHLXSKFD-UWVGGRQHSA-N 2 2 267.333 -0.396 20 0 CBADLP COCC[N@H+](C)CCNC(=O)[C@@H]1CC[NH2+]CC1(F)F ZINC000342764092 353231917 /nfs/dbraw/zinc/23/19/17/353231917.db2.gz FUORIEYKRVFSQD-JTQLQIEISA-N 2 2 279.331 -0.074 20 0 CBADLP COCC[N@@H+](C)CCNC(=O)[C@@H]1CC[NH2+]CC1(F)F ZINC000342764092 353231919 /nfs/dbraw/zinc/23/19/19/353231919.db2.gz FUORIEYKRVFSQD-JTQLQIEISA-N 2 2 279.331 -0.074 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H]([NH3+])CCC(=O)OC)CC1 ZINC000342662583 353226577 /nfs/dbraw/zinc/22/65/77/353226577.db2.gz WHFSDXWBBCLXCW-SNVBAGLBSA-N 2 2 257.334 -0.569 20 0 CBADLP O=C(NCC[NH+]1CCOCC1)[C@@H]1CC[NH2+]CC1(F)F ZINC000342668161 353226847 /nfs/dbraw/zinc/22/68/47/353226847.db2.gz POFYUFBYDFJGBW-JTQLQIEISA-N 2 2 277.315 -0.320 20 0 CBADLP COC(=O)CC[C@H]([NH3+])C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000342721252 353229176 /nfs/dbraw/zinc/22/91/76/353229176.db2.gz YUGFYHZFPHMPSO-QWRGUYRKSA-N 2 2 287.360 -0.896 20 0 CBADLP C[C@H](C[NH+](C)C)NC(=O)NCC[NH+]1CCOCC1 ZINC000342908833 353240186 /nfs/dbraw/zinc/24/01/86/353240186.db2.gz JOJSXWAFCJHQFX-LLVKDONJSA-N 2 2 258.366 -0.432 20 0 CBADLP C[C@H]1[C@@H](NC(=O)C(=O)NCc2[nH+]ccn2C)CCC[N@@H+]1C ZINC000342967115 353244307 /nfs/dbraw/zinc/24/43/07/353244307.db2.gz SMZRXMPWNWKHML-QWRGUYRKSA-N 2 2 293.371 -0.365 20 0 CBADLP C[C@H]1[C@@H](NC(=O)C(=O)NCc2[nH+]ccn2C)CCC[N@H+]1C ZINC000342967115 353244309 /nfs/dbraw/zinc/24/43/09/353244309.db2.gz SMZRXMPWNWKHML-QWRGUYRKSA-N 2 2 293.371 -0.365 20 0 CBADLP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)NCc1[nH+]ccn1C ZINC000342973587 353244904 /nfs/dbraw/zinc/24/49/04/353244904.db2.gz UFVJLNPADICNRS-LLVKDONJSA-N 2 2 293.371 -0.411 20 0 CBADLP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NCc1[nH+]ccn1C ZINC000342973587 353244906 /nfs/dbraw/zinc/24/49/06/353244906.db2.gz UFVJLNPADICNRS-LLVKDONJSA-N 2 2 293.371 -0.411 20 0 CBADLP O=C([C@H]1CC[NH2+]CC1(F)F)N1CC[NH+](CCO)CC1 ZINC000343435365 353272758 /nfs/dbraw/zinc/27/27/58/353272758.db2.gz BTPCBJUCUHOSDC-SNVBAGLBSA-N 2 2 277.315 -0.632 20 0 CBADLP C[NH+]1CCN(CCNC(=O)[C@H]2CC[NH2+]CC2(F)F)CC1 ZINC000343451634 353273343 /nfs/dbraw/zinc/27/33/43/353273343.db2.gz GBSNIVPHMNHFMG-LLVKDONJSA-N 2 2 290.358 -0.405 20 0 CBADLP CC(C)[N@H+]1CCO[C@H](C(=O)N2CC[NH+](C[C@@H](C)O)CC2)C1 ZINC000356469265 535217101 /nfs/dbraw/zinc/21/71/01/535217101.db2.gz XZLAAXZCTDLPJA-KGLIPLIRSA-N 2 2 299.415 -0.379 20 0 CBADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](C[C@@H](C)O)CC2)C1 ZINC000356469265 535217109 /nfs/dbraw/zinc/21/71/09/535217109.db2.gz XZLAAXZCTDLPJA-KGLIPLIRSA-N 2 2 299.415 -0.379 20 0 CBADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@@H]1CC[NH2+]CC1(F)F ZINC000343493131 353275660 /nfs/dbraw/zinc/27/56/60/353275660.db2.gz AYRQNNSOVAWWSC-MNOVXSKESA-N 2 2 290.358 -0.407 20 0 CBADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@@H]1CC[NH2+]CC1(F)F ZINC000343493131 353275662 /nfs/dbraw/zinc/27/56/62/353275662.db2.gz AYRQNNSOVAWWSC-MNOVXSKESA-N 2 2 290.358 -0.407 20 0 CBADLP CNC(=O)C[NH+]1CCC(N[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000343270626 353262595 /nfs/dbraw/zinc/26/25/95/353262595.db2.gz FLTFEQJNZLUTSM-DGCLKSJQSA-N 2 2 268.405 -0.264 20 0 CBADLP CNC(=O)C[NH+]1CCC(N[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000343270626 353262597 /nfs/dbraw/zinc/26/25/97/353262597.db2.gz FLTFEQJNZLUTSM-DGCLKSJQSA-N 2 2 268.405 -0.264 20 0 CBADLP NS(=O)(=O)[C@H]1CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000343279933 353263329 /nfs/dbraw/zinc/26/33/29/353263329.db2.gz QGGGMYCTDAIXEL-JTQLQIEISA-N 2 2 258.347 -0.364 20 0 CBADLP NS(=O)(=O)[C@H]1CC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000343279933 353263333 /nfs/dbraw/zinc/26/33/33/353263333.db2.gz QGGGMYCTDAIXEL-JTQLQIEISA-N 2 2 258.347 -0.364 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1(C(N)=O)CCOCC1 ZINC000343278121 353263360 /nfs/dbraw/zinc/26/33/60/353263360.db2.gz JGNQSKAUZULOSU-MNOVXSKESA-N 2 2 255.362 -0.192 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1(C(N)=O)CCOCC1 ZINC000343278121 353263364 /nfs/dbraw/zinc/26/33/64/353263364.db2.gz JGNQSKAUZULOSU-MNOVXSKESA-N 2 2 255.362 -0.192 20 0 CBADLP C[N@H+](CCNC(=O)C(=O)N1CC[NH+](C2CC2)CC1)C1CC1 ZINC000343287406 353263850 /nfs/dbraw/zinc/26/38/50/353263850.db2.gz OQNQUPMIAMFPTD-UHFFFAOYSA-N 2 2 294.399 -0.497 20 0 CBADLP C[N@@H+](CCNC(=O)C(=O)N1CC[NH+](C2CC2)CC1)C1CC1 ZINC000343287406 353263852 /nfs/dbraw/zinc/26/38/52/353263852.db2.gz OQNQUPMIAMFPTD-UHFFFAOYSA-N 2 2 294.399 -0.497 20 0 CBADLP CN1CC[N@H+](C)[C@H](CNC(=O)NCC2=CC[NH+](C)CC2)C1 ZINC000343694445 353285360 /nfs/dbraw/zinc/28/53/60/353285360.db2.gz NZDUGTQWFOLESF-CQSZACIVSA-N 2 2 295.431 -0.207 20 0 CBADLP CN1CC[N@@H+](C)[C@H](CNC(=O)NCC2=CC[NH+](C)CC2)C1 ZINC000343694445 353285361 /nfs/dbraw/zinc/28/53/61/353285361.db2.gz NZDUGTQWFOLESF-CQSZACIVSA-N 2 2 295.431 -0.207 20 0 CBADLP CN1CC[NH+](C)[C@H](CNC(=O)NCC2=CC[N@H+](C)CC2)C1 ZINC000343694445 353285363 /nfs/dbraw/zinc/28/53/63/353285363.db2.gz NZDUGTQWFOLESF-CQSZACIVSA-N 2 2 295.431 -0.207 20 0 CBADLP CN1CC[NH+](C)[C@H](CNC(=O)NCC2=CC[N@@H+](C)CC2)C1 ZINC000343694445 353285364 /nfs/dbraw/zinc/28/53/64/353285364.db2.gz NZDUGTQWFOLESF-CQSZACIVSA-N 2 2 295.431 -0.207 20 0 CBADLP COC(=O)CC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000343859243 353294730 /nfs/dbraw/zinc/29/47/30/353294730.db2.gz FTEBJRXMGFNJFO-NEPJUHHUSA-N 2 2 299.371 -0.754 20 0 CBADLP COC(=O)CC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000343859243 353294733 /nfs/dbraw/zinc/29/47/33/353294733.db2.gz FTEBJRXMGFNJFO-NEPJUHHUSA-N 2 2 299.371 -0.754 20 0 CBADLP CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@H](C)[NH+]2CCOCC2)C1 ZINC000346213192 353366342 /nfs/dbraw/zinc/36/63/42/353366342.db2.gz ZGCVXNLCLORRKG-KBPBESRZSA-N 2 2 299.415 -0.068 20 0 CBADLP CC(C)[N@H+]1CCO[C@H](C(=O)NC[C@H](C)[NH+]2CCOCC2)C1 ZINC000346213192 353366346 /nfs/dbraw/zinc/36/63/46/353366346.db2.gz ZGCVXNLCLORRKG-KBPBESRZSA-N 2 2 299.415 -0.068 20 0 CBADLP C[C@H](CNC(=O)[C@H]([NH3+])CC(F)F)[NH+]1CCOCC1 ZINC000345749343 353346006 /nfs/dbraw/zinc/34/60/06/353346006.db2.gz SUZOKZQCGSXPKI-RKDXNWHRSA-N 2 2 265.304 -0.194 20 0 CBADLP CC[N@H+](CCO)CCN[C@@H]1CC[NH+](CCOC)C1 ZINC000346256321 353367857 /nfs/dbraw/zinc/36/78/57/353367857.db2.gz RXFMBMMELMXIBA-CYBMUJFWSA-N 2 2 259.394 -0.389 20 0 CBADLP CC[N@@H+](CCO)CCN[C@@H]1CC[NH+](CCOC)C1 ZINC000346256321 353367860 /nfs/dbraw/zinc/36/78/60/353367860.db2.gz RXFMBMMELMXIBA-CYBMUJFWSA-N 2 2 259.394 -0.389 20 0 CBADLP CC[NH+](CCO)CCN[C@@H]1CC[N@H+](CCOC)C1 ZINC000346256321 353367862 /nfs/dbraw/zinc/36/78/62/353367862.db2.gz RXFMBMMELMXIBA-CYBMUJFWSA-N 2 2 259.394 -0.389 20 0 CBADLP CC[NH+](CCO)CCN[C@@H]1CC[N@@H+](CCOC)C1 ZINC000346256321 353367865 /nfs/dbraw/zinc/36/78/65/353367865.db2.gz RXFMBMMELMXIBA-CYBMUJFWSA-N 2 2 259.394 -0.389 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC000346556124 353382952 /nfs/dbraw/zinc/38/29/52/353382952.db2.gz XQJYZIBXUBDEEO-VXGBXAGGSA-N 2 2 255.362 -0.083 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CCC[N@H+]1C ZINC000346556124 353382958 /nfs/dbraw/zinc/38/29/58/353382958.db2.gz XQJYZIBXUBDEEO-VXGBXAGGSA-N 2 2 255.362 -0.083 20 0 CBADLP O=C([C@H]1CSC[NH2+]1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000238013661 137680591 /nfs/dbraw/zinc/68/05/91/137680591.db2.gz PMMWZDWKWXQABX-VXGBXAGGSA-N 2 2 285.413 -0.170 20 0 CBADLP C(C[NH+]1CCOCC1)C[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000348780245 353434239 /nfs/dbraw/zinc/43/42/39/353434239.db2.gz YUWPFEKPFCQERD-AWEZNQCLSA-N 2 2 269.389 -0.275 20 0 CBADLP C(C[NH+]1CCOCC1)C[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000348780245 353434245 /nfs/dbraw/zinc/43/42/45/353434245.db2.gz YUWPFEKPFCQERD-AWEZNQCLSA-N 2 2 269.389 -0.275 20 0 CBADLP C[C@@H](NC(=O)C[N@@H+]1CCCC[C@@H]1CC[NH3+])C(=O)N(C)C ZINC000352503024 353488254 /nfs/dbraw/zinc/48/82/54/353488254.db2.gz BBKBIXFHEYKCPZ-VXGBXAGGSA-N 2 2 284.404 -0.217 20 0 CBADLP C[C@@H](NC(=O)C[N@H+]1CCCC[C@@H]1CC[NH3+])C(=O)N(C)C ZINC000352503024 353488255 /nfs/dbraw/zinc/48/82/55/353488255.db2.gz BBKBIXFHEYKCPZ-VXGBXAGGSA-N 2 2 284.404 -0.217 20 0 CBADLP C[NH+](C[C@H](O)C[N@@H+](C)C1CC1)[C@]1(CO)CCOC1 ZINC000351612838 353475881 /nfs/dbraw/zinc/47/58/81/353475881.db2.gz YMICPIYXXDEDJK-OLZOCXBDSA-N 2 2 258.362 -0.475 20 0 CBADLP C[NH+](C[C@H](O)C[N@H+](C)C1CC1)[C@]1(CO)CCOC1 ZINC000351612838 353475882 /nfs/dbraw/zinc/47/58/82/353475882.db2.gz YMICPIYXXDEDJK-OLZOCXBDSA-N 2 2 258.362 -0.475 20 0 CBADLP C[NH+](C[C@@H](O)C[N@H+](C)[C@]1(CO)CCOC1)C1CC1 ZINC000351612838 353475883 /nfs/dbraw/zinc/47/58/83/353475883.db2.gz YMICPIYXXDEDJK-OLZOCXBDSA-N 2 2 258.362 -0.475 20 0 CBADLP C[NH+](C[C@@H](O)C[N@@H+](C)[C@]1(CO)CCOC1)C1CC1 ZINC000351612838 353475884 /nfs/dbraw/zinc/47/58/84/353475884.db2.gz YMICPIYXXDEDJK-OLZOCXBDSA-N 2 2 258.362 -0.475 20 0 CBADLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC(=O)NCC(=O)N3CCCC3)C[C@H]12 ZINC000351496682 353476002 /nfs/dbraw/zinc/47/60/02/353476002.db2.gz RULRFMPJCVANTJ-FRRDWIJNSA-N 2 2 294.399 -0.606 20 0 CBADLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC(=O)NCC(=O)N3CCCC3)C[C@H]12 ZINC000351496682 353476006 /nfs/dbraw/zinc/47/60/06/353476006.db2.gz RULRFMPJCVANTJ-FRRDWIJNSA-N 2 2 294.399 -0.606 20 0 CBADLP C[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)[C@]1(CO)CCOC1 ZINC000351612840 353476556 /nfs/dbraw/zinc/47/65/56/353476556.db2.gz YMICPIYXXDEDJK-STQMWFEESA-N 2 2 258.362 -0.475 20 0 CBADLP C[NH+](C[C@@H](O)C[N@H+](C)C1CC1)[C@]1(CO)CCOC1 ZINC000351612840 353476557 /nfs/dbraw/zinc/47/65/57/353476557.db2.gz YMICPIYXXDEDJK-STQMWFEESA-N 2 2 258.362 -0.475 20 0 CBADLP C[NH+](C[C@H](O)C[N@H+](C)[C@]1(CO)CCOC1)C1CC1 ZINC000351612840 353476558 /nfs/dbraw/zinc/47/65/58/353476558.db2.gz YMICPIYXXDEDJK-STQMWFEESA-N 2 2 258.362 -0.475 20 0 CBADLP C[NH+](C[C@H](O)C[N@@H+](C)[C@]1(CO)CCOC1)C1CC1 ZINC000351612840 353476559 /nfs/dbraw/zinc/47/65/59/353476559.db2.gz YMICPIYXXDEDJK-STQMWFEESA-N 2 2 258.362 -0.475 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000352778990 353505638 /nfs/dbraw/zinc/50/56/38/353505638.db2.gz MVVFGMZHAGXJSQ-KBPBESRZSA-N 2 2 298.431 -0.541 20 0 CBADLP C[C@@H](C[NH+](C)C)NC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000352896745 353509597 /nfs/dbraw/zinc/50/95/97/353509597.db2.gz CPWBIODNSRZMOY-NWDGAFQWSA-N 2 2 272.393 -0.044 20 0 CBADLP C[C@@H](C[NH+](C)C)NC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000352896745 353509600 /nfs/dbraw/zinc/50/96/00/353509600.db2.gz CPWBIODNSRZMOY-NWDGAFQWSA-N 2 2 272.393 -0.044 20 0 CBADLP C[C@@H](C[NH+](C)C)NC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000352896746 353509969 /nfs/dbraw/zinc/50/99/69/353509969.db2.gz CPWBIODNSRZMOY-RYUDHWBXSA-N 2 2 272.393 -0.044 20 0 CBADLP C[C@@H](C[NH+](C)C)NC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000352896746 353509971 /nfs/dbraw/zinc/50/99/71/353509971.db2.gz CPWBIODNSRZMOY-RYUDHWBXSA-N 2 2 272.393 -0.044 20 0 CBADLP CC(C)C[C@@H]([NH3+])C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000353186764 353525859 /nfs/dbraw/zinc/52/58/59/353525859.db2.gz RFUFACNJAVWYNM-LLVKDONJSA-N 2 2 284.404 -0.232 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCCn1cc(CO)nn1 ZINC000353193486 353526554 /nfs/dbraw/zinc/52/65/54/353526554.db2.gz NWTGCJMLVCUADT-ZYHUDNBSSA-N 2 2 253.350 -0.300 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCn1cc(CO)nn1 ZINC000353193486 353526557 /nfs/dbraw/zinc/52/65/57/353526557.db2.gz NWTGCJMLVCUADT-ZYHUDNBSSA-N 2 2 253.350 -0.300 20 0 CBADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)[C@@H]([NH3+])COC)CC1 ZINC000354074522 353542332 /nfs/dbraw/zinc/54/23/32/353542332.db2.gz VMQNDKSDNNXUOJ-STQMWFEESA-N 2 2 286.420 -0.650 20 0 CBADLP CCS(=O)(=O)C[C@H](C)[N@H+](C)CCOCC[NH3+] ZINC000357068185 353601975 /nfs/dbraw/zinc/60/19/75/353601975.db2.gz GCHSBFALXFTEHD-JTQLQIEISA-N 2 2 252.380 -0.283 20 0 CBADLP CCS(=O)(=O)C[C@H](C)[N@@H+](C)CCOCC[NH3+] ZINC000357068185 353601977 /nfs/dbraw/zinc/60/19/77/353601977.db2.gz GCHSBFALXFTEHD-JTQLQIEISA-N 2 2 252.380 -0.283 20 0 CBADLP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000354427691 353560111 /nfs/dbraw/zinc/56/01/11/353560111.db2.gz UOMDOTLTYGJCNO-ZIAGYGMSSA-N 2 2 298.431 -0.541 20 0 CBADLP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000354427691 353560114 /nfs/dbraw/zinc/56/01/14/353560114.db2.gz UOMDOTLTYGJCNO-ZIAGYGMSSA-N 2 2 298.431 -0.541 20 0 CBADLP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000354427691 353560117 /nfs/dbraw/zinc/56/01/17/353560117.db2.gz UOMDOTLTYGJCNO-ZIAGYGMSSA-N 2 2 298.431 -0.541 20 0 CBADLP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000354427691 353560120 /nfs/dbraw/zinc/56/01/20/353560120.db2.gz UOMDOTLTYGJCNO-ZIAGYGMSSA-N 2 2 298.431 -0.541 20 0 CBADLP C[N@@H+]1CC[C@@](O)(CNC(=O)C2([NH+]3CCOCC3)CCC2)C1 ZINC000358069371 353624482 /nfs/dbraw/zinc/62/44/82/353624482.db2.gz SMGCPYWGVWNETK-CQSZACIVSA-N 2 2 297.399 -0.576 20 0 CBADLP C[N@H+]1CC[C@@](O)(CNC(=O)C2([NH+]3CCOCC3)CCC2)C1 ZINC000358069371 353624483 /nfs/dbraw/zinc/62/44/83/353624483.db2.gz SMGCPYWGVWNETK-CQSZACIVSA-N 2 2 297.399 -0.576 20 0 CBADLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2cccc(C(N)=O)c2)C1 ZINC000358153477 353630348 /nfs/dbraw/zinc/63/03/48/353630348.db2.gz DDVWECUNDKCVNM-CQSZACIVSA-N 2 2 263.341 -0.058 20 0 CBADLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2cccc(C(N)=O)c2)C1 ZINC000358153477 353630350 /nfs/dbraw/zinc/63/03/50/353630350.db2.gz DDVWECUNDKCVNM-CQSZACIVSA-N 2 2 263.341 -0.058 20 0 CBADLP COC(=O)c1ccc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)[nH]1 ZINC000358284556 353635722 /nfs/dbraw/zinc/63/57/22/353635722.db2.gz WWBPAZGRUPGORT-CYBMUJFWSA-N 2 2 267.329 -0.043 20 0 CBADLP COC(=O)c1ccc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)[nH]1 ZINC000358284556 353635724 /nfs/dbraw/zinc/63/57/24/353635724.db2.gz WWBPAZGRUPGORT-CYBMUJFWSA-N 2 2 267.329 -0.043 20 0 CBADLP [NH3+]CC[N@H+](CCO)CCC(=O)Nc1cccnc1 ZINC000358352590 353639855 /nfs/dbraw/zinc/63/98/55/353639855.db2.gz HZRCPZMKHIBRQO-UHFFFAOYSA-N 2 2 252.318 -0.337 20 0 CBADLP [NH3+]CC[N@@H+](CCO)CCC(=O)Nc1cccnc1 ZINC000358352590 353639858 /nfs/dbraw/zinc/63/98/58/353639858.db2.gz HZRCPZMKHIBRQO-UHFFFAOYSA-N 2 2 252.318 -0.337 20 0 CBADLP CO[C@H]1CC[N@H+](CCCS(=O)(=O)N(C)C)[C@H](C[NH3+])C1 ZINC000359040899 353651845 /nfs/dbraw/zinc/65/18/45/353651845.db2.gz IQKIHURQWZLUNP-RYUDHWBXSA-N 2 2 293.433 -0.294 20 0 CBADLP CO[C@H]1CC[N@@H+](CCCS(=O)(=O)N(C)C)[C@H](C[NH3+])C1 ZINC000359040899 353651846 /nfs/dbraw/zinc/65/18/46/353651846.db2.gz IQKIHURQWZLUNP-RYUDHWBXSA-N 2 2 293.433 -0.294 20 0 CBADLP O=C(NCc1cn2ccccc2[nH+]1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000357916715 353614355 /nfs/dbraw/zinc/61/43/55/353614355.db2.gz HYNKLULWIBWRDJ-GHMZBOCLSA-N 2 2 260.297 -0.327 20 0 CBADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000358024726 353620205 /nfs/dbraw/zinc/62/02/05/353620205.db2.gz MNMLCHPMZRHWAN-CMPLNLGQSA-N 2 2 275.418 -0.050 20 0 CBADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000358024726 353620207 /nfs/dbraw/zinc/62/02/07/353620207.db2.gz MNMLCHPMZRHWAN-CMPLNLGQSA-N 2 2 275.418 -0.050 20 0 CBADLP Cc1nc(N2CC[NH+]([C@@H]3COC[C@@H]3O)CC2)cc[nH+]1 ZINC000361337263 353661538 /nfs/dbraw/zinc/66/15/38/353661538.db2.gz UPFFTOYTMXYATE-NEPJUHHUSA-N 2 2 264.329 -0.333 20 0 CBADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](Cc2cc[nH]n2)C1 ZINC000362697351 353667776 /nfs/dbraw/zinc/66/77/76/353667776.db2.gz JVWJHUIOKVHCBS-LBPRGKRZSA-N 2 2 263.345 -0.194 20 0 CBADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](Cc2cc[nH]n2)C1 ZINC000362697351 353667779 /nfs/dbraw/zinc/66/77/79/353667779.db2.gz JVWJHUIOKVHCBS-LBPRGKRZSA-N 2 2 263.345 -0.194 20 0 CBADLP CCCNC(=O)C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362826659 353668232 /nfs/dbraw/zinc/66/82/32/353668232.db2.gz PMJYPLDEBFWETH-LBPRGKRZSA-N 2 2 282.388 -0.591 20 0 CBADLP CCCNC(=O)C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362826659 353668233 /nfs/dbraw/zinc/66/82/33/353668233.db2.gz PMJYPLDEBFWETH-LBPRGKRZSA-N 2 2 282.388 -0.591 20 0 CBADLP CC(C)CNC(=O)C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362827089 353668477 /nfs/dbraw/zinc/66/84/77/353668477.db2.gz RRJRXDZEXRNZLD-ZDUSSCGKSA-N 2 2 296.415 -0.345 20 0 CBADLP CC(C)CNC(=O)C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362827089 353668480 /nfs/dbraw/zinc/66/84/80/353668480.db2.gz RRJRXDZEXRNZLD-ZDUSSCGKSA-N 2 2 296.415 -0.345 20 0 CBADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCCN(S(N)(=O)=O)CC1 ZINC000363460199 353670012 /nfs/dbraw/zinc/67/00/12/353670012.db2.gz YDWRAVBIWWDHLL-LBPRGKRZSA-N 2 2 290.433 -0.318 20 0 CBADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCCN(S(N)(=O)=O)CC1 ZINC000363460199 353670013 /nfs/dbraw/zinc/67/00/13/353670013.db2.gz YDWRAVBIWWDHLL-LBPRGKRZSA-N 2 2 290.433 -0.318 20 0 CBADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CCCN(S(N)(=O)=O)CC1 ZINC000363460199 353670014 /nfs/dbraw/zinc/67/00/14/353670014.db2.gz YDWRAVBIWWDHLL-LBPRGKRZSA-N 2 2 290.433 -0.318 20 0 CBADLP C[NH+]1CCC[C@H]1CC[N@H+]1CCCN(S(N)(=O)=O)CC1 ZINC000363460199 353670015 /nfs/dbraw/zinc/67/00/15/353670015.db2.gz YDWRAVBIWWDHLL-LBPRGKRZSA-N 2 2 290.433 -0.318 20 0 CBADLP C[C@@H]([NH3+])C(=O)N1CC[N@H+](C[C@H]2CN(C)CCO2)C[C@@H]1C ZINC000366951277 353679048 /nfs/dbraw/zinc/67/90/48/353679048.db2.gz JVFCKNVKPSYVCB-YNEHKIRRSA-N 2 2 284.404 -0.803 20 0 CBADLP C[C@@H]([NH3+])C(=O)N1CC[N@@H+](C[C@H]2CN(C)CCO2)C[C@@H]1C ZINC000366951277 353679049 /nfs/dbraw/zinc/67/90/49/353679049.db2.gz JVFCKNVKPSYVCB-YNEHKIRRSA-N 2 2 284.404 -0.803 20 0 CBADLP C[C@H](C[NH3+])C(=O)N1CC[NH+](C2(C(N)=O)CCCCC2)CC1 ZINC000367505571 353682360 /nfs/dbraw/zinc/68/23/60/353682360.db2.gz CEAMQJZDRPQHOH-GFCCVEGCSA-N 2 2 296.415 -0.086 20 0 CBADLP C(C[NH+]1CCO[C@@H]2C[C@@H]21)OCC[N@@H+]1CCO[C@@H]2C[C@@H]21 ZINC000368322408 353685102 /nfs/dbraw/zinc/68/51/02/353685102.db2.gz UFHMZEYNFPTUCB-IGQOVBAYSA-N 2 2 268.357 -0.051 20 0 CBADLP C(C[NH+]1CCO[C@@H]2C[C@@H]21)OCC[N@H+]1CCO[C@@H]2C[C@@H]21 ZINC000368322408 353685106 /nfs/dbraw/zinc/68/51/06/353685106.db2.gz UFHMZEYNFPTUCB-IGQOVBAYSA-N 2 2 268.357 -0.051 20 0 CBADLP CC[C@@H](O)C[NH+]1CCC(N2CC[N@H+](C)CC2=O)CC1 ZINC000371639696 353704699 /nfs/dbraw/zinc/70/46/99/353704699.db2.gz YUCGOZYAAVGJOS-CYBMUJFWSA-N 2 2 269.389 -0.004 20 0 CBADLP CC[C@@H](O)C[NH+]1CCC(N2CC[N@@H+](C)CC2=O)CC1 ZINC000371639696 353704703 /nfs/dbraw/zinc/70/47/03/353704703.db2.gz YUCGOZYAAVGJOS-CYBMUJFWSA-N 2 2 269.389 -0.004 20 0 CBADLP CC[C@H](C(N)=O)[NH+]1CCC(N2CC[N@H+](C)CC2=O)CC1 ZINC000371637691 353704874 /nfs/dbraw/zinc/70/48/74/353704874.db2.gz KUSJBYQFHVBLKR-GFCCVEGCSA-N 2 2 282.388 -0.511 20 0 CBADLP CC[C@H](C(N)=O)[NH+]1CCC(N2CC[N@@H+](C)CC2=O)CC1 ZINC000371637691 353704877 /nfs/dbraw/zinc/70/48/77/353704877.db2.gz KUSJBYQFHVBLKR-GFCCVEGCSA-N 2 2 282.388 -0.511 20 0 CBADLP O=C([C@@H]1COCC[NH2+]1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000372098590 353710497 /nfs/dbraw/zinc/71/04/97/353710497.db2.gz LNDIZBJWFRKIDN-RWMBFGLXSA-N 2 2 283.372 -0.968 20 0 CBADLP O=C([C@@H]1COCC[NH2+]1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000372098592 353710547 /nfs/dbraw/zinc/71/05/47/353710547.db2.gz LNDIZBJWFRKIDN-YNEHKIRRSA-N 2 2 283.372 -0.968 20 0 CBADLP O[C@H](C[NH+]1C[C@@H](O)C2(CC2)C1)C[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000373180307 353727287 /nfs/dbraw/zinc/72/72/87/353727287.db2.gz OCIHQMQEBSQRSV-XYYAHUGASA-N 2 2 282.384 -0.739 20 0 CBADLP O[C@H](C[NH+]1C[C@@H](O)C2(CC2)C1)C[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000373180307 353727290 /nfs/dbraw/zinc/72/72/90/353727290.db2.gz OCIHQMQEBSQRSV-XYYAHUGASA-N 2 2 282.384 -0.739 20 0 CBADLP O[C@@H](C[NH+]1C[C@H](O)C2(CC2)C1)C[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000373180307 353727292 /nfs/dbraw/zinc/72/72/92/353727292.db2.gz OCIHQMQEBSQRSV-XYYAHUGASA-N 2 2 282.384 -0.739 20 0 CBADLP O[C@@H](C[NH+]1C[C@H](O)C2(CC2)C1)C[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000373180307 353727295 /nfs/dbraw/zinc/72/72/95/353727295.db2.gz OCIHQMQEBSQRSV-XYYAHUGASA-N 2 2 282.384 -0.739 20 0 CBADLP C[NH2+]CCC(=O)N1CCC[N@H+](CC(=O)NC(C)C)CC1 ZINC000375913897 353768893 /nfs/dbraw/zinc/76/88/93/353768893.db2.gz YERVGZKEWNEMMX-UHFFFAOYSA-N 2 2 284.404 -0.345 20 0 CBADLP C[NH2+]CCC(=O)N1CCC[N@@H+](CC(=O)NC(C)C)CC1 ZINC000375913897 353768896 /nfs/dbraw/zinc/76/88/96/353768896.db2.gz YERVGZKEWNEMMX-UHFFFAOYSA-N 2 2 284.404 -0.345 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@@H]3CCOC(=O)[C@@H]32)CC1 ZINC000375888824 353769152 /nfs/dbraw/zinc/76/91/52/353769152.db2.gz IBNSBNOZCPOOEN-TZMCWYRMSA-N 2 2 295.383 -0.212 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@@H]3CCOC(=O)[C@@H]32)CC1 ZINC000375888824 353769155 /nfs/dbraw/zinc/76/91/55/353769155.db2.gz IBNSBNOZCPOOEN-TZMCWYRMSA-N 2 2 295.383 -0.212 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H]3CC[NH2+]C3)C2)CC1 ZINC000377198684 353777759 /nfs/dbraw/zinc/77/77/59/353777759.db2.gz QSTOEYNNHUCFLB-CHWSQXEVSA-N 3 2 280.416 -0.119 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H]3CC[NH2+]C3)C2)CC1 ZINC000377198684 353777762 /nfs/dbraw/zinc/77/77/62/353777762.db2.gz QSTOEYNNHUCFLB-CHWSQXEVSA-N 3 2 280.416 -0.119 20 0 CBADLP C[N@H+](C[C@H](O)C[NH2+]CC1([S@@](C)=O)CC1)C1CC1 ZINC000380248377 353782508 /nfs/dbraw/zinc/78/25/08/353782508.db2.gz JPDPHBHBRAXGRM-PIGZYNQJSA-N 2 2 260.403 -0.058 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH2+]CC1([S@@](C)=O)CC1)C1CC1 ZINC000380248377 353782511 /nfs/dbraw/zinc/78/25/11/353782511.db2.gz JPDPHBHBRAXGRM-PIGZYNQJSA-N 2 2 260.403 -0.058 20 0 CBADLP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[NH+](C2(C(N)=O)CCCC2)CC1 ZINC000373798752 353736427 /nfs/dbraw/zinc/73/64/27/353736427.db2.gz FRJUGCYWLXWJPL-RYUDHWBXSA-N 2 2 296.415 -0.088 20 0 CBADLP Cc1[nH+]ccn1CC[NH+]1CCN(S(N)(=O)=O)CC1 ZINC000407947798 353808634 /nfs/dbraw/zinc/80/86/34/353808634.db2.gz BUXSZMAHNAQSJW-UHFFFAOYSA-N 2 2 273.362 -0.987 20 0 CBADLP C[C@@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@H](CO)O1 ZINC000407983179 353816788 /nfs/dbraw/zinc/81/67/88/353816788.db2.gz OCRAVQBYCJCKHY-CHWSQXEVSA-N 2 2 285.388 -0.768 20 0 CBADLP C[C@@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@H](CO)O1 ZINC000407983179 353816791 /nfs/dbraw/zinc/81/67/91/353816791.db2.gz OCRAVQBYCJCKHY-CHWSQXEVSA-N 2 2 285.388 -0.768 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](COC)C1 ZINC000386184230 353788296 /nfs/dbraw/zinc/78/82/96/353788296.db2.gz UPOGVBHWQLSSRJ-CHWSQXEVSA-N 2 2 260.378 -0.106 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](COC)C1 ZINC000386184230 353788297 /nfs/dbraw/zinc/78/82/97/353788297.db2.gz UPOGVBHWQLSSRJ-CHWSQXEVSA-N 2 2 260.378 -0.106 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](COC)C1 ZINC000386184230 353788299 /nfs/dbraw/zinc/78/82/99/353788299.db2.gz UPOGVBHWQLSSRJ-CHWSQXEVSA-N 2 2 260.378 -0.106 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](COC)C1 ZINC000386184230 353788302 /nfs/dbraw/zinc/78/83/02/353788302.db2.gz UPOGVBHWQLSSRJ-CHWSQXEVSA-N 2 2 260.378 -0.106 20 0 CBADLP CC(C)[N@@H+](C)C[C@H](C)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000388279546 353789998 /nfs/dbraw/zinc/78/99/98/353789998.db2.gz QFBKTSCJAQUVOZ-UONOGXRCSA-N 2 2 273.421 -0.002 20 0 CBADLP CC(C)[N@H+](C)C[C@H](C)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000388279546 353790000 /nfs/dbraw/zinc/79/00/00/353790000.db2.gz QFBKTSCJAQUVOZ-UONOGXRCSA-N 2 2 273.421 -0.002 20 0 CBADLP CC[N@@H+]1CC[C@@H](NC[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000389282820 353790526 /nfs/dbraw/zinc/79/05/26/353790526.db2.gz VANXWUKMFQXLHZ-CHWSQXEVSA-N 2 2 257.378 -0.637 20 0 CBADLP CC[N@H+]1CC[C@@H](NC[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000389282820 353790530 /nfs/dbraw/zinc/79/05/30/353790530.db2.gz VANXWUKMFQXLHZ-CHWSQXEVSA-N 2 2 257.378 -0.637 20 0 CBADLP O=C(C[NH2+]C[C@@H](O)C[NH+]1CCCC1)NCC1CC1 ZINC000393027766 353792399 /nfs/dbraw/zinc/79/23/99/353792399.db2.gz GTHGWAJNQFYKHZ-GFCCVEGCSA-N 2 2 255.362 -0.441 20 0 CBADLP CC[C@@](C)([NH3+])c1cn(C[C@H](O)C[NH+]2CCOCC2)nn1 ZINC000395262275 353795083 /nfs/dbraw/zinc/79/50/83/353795083.db2.gz JPLGVMDMOWTLFW-DGCLKSJQSA-N 2 2 283.376 -0.445 20 0 CBADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NC(N)=O)C[C@H]1C ZINC000408218184 353874815 /nfs/dbraw/zinc/87/48/15/353874815.db2.gz PRTOHZJQLXPDOQ-ZJUUUORDSA-N 2 2 256.350 -0.014 20 0 CBADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NC(N)=O)C[C@H]1C ZINC000408218184 353874818 /nfs/dbraw/zinc/87/48/18/353874818.db2.gz PRTOHZJQLXPDOQ-ZJUUUORDSA-N 2 2 256.350 -0.014 20 0 CBADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NC(N)=O)C[C@H]1C ZINC000408218184 353874821 /nfs/dbraw/zinc/87/48/21/353874821.db2.gz PRTOHZJQLXPDOQ-ZJUUUORDSA-N 2 2 256.350 -0.014 20 0 CBADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NC(N)=O)C[C@H]1C ZINC000408218184 353874823 /nfs/dbraw/zinc/87/48/23/353874823.db2.gz PRTOHZJQLXPDOQ-ZJUUUORDSA-N 2 2 256.350 -0.014 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000408269201 353883022 /nfs/dbraw/zinc/88/30/22/353883022.db2.gz BCAMDTSLOXDPPP-RYUDHWBXSA-N 2 2 271.361 -0.846 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000408269201 353883027 /nfs/dbraw/zinc/88/30/27/353883027.db2.gz BCAMDTSLOXDPPP-RYUDHWBXSA-N 2 2 271.361 -0.846 20 0 CBADLP C[C@H]1COCC[NH+]1CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000408269201 353883030 /nfs/dbraw/zinc/88/30/30/353883030.db2.gz BCAMDTSLOXDPPP-RYUDHWBXSA-N 2 2 271.361 -0.846 20 0 CBADLP C[C@H]1COCC[NH+]1CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000408269201 353883035 /nfs/dbraw/zinc/88/30/35/353883035.db2.gz BCAMDTSLOXDPPP-RYUDHWBXSA-N 2 2 271.361 -0.846 20 0 CBADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000408120903 353853813 /nfs/dbraw/zinc/85/38/13/353853813.db2.gz BALHPUOHJPUEPT-ZDUSSCGKSA-N 2 2 296.415 -0.249 20 0 CBADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000408120903 353853816 /nfs/dbraw/zinc/85/38/16/353853816.db2.gz BALHPUOHJPUEPT-ZDUSSCGKSA-N 2 2 296.415 -0.249 20 0 CBADLP CCNC(=O)C[NH+]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000408120903 353853819 /nfs/dbraw/zinc/85/38/19/353853819.db2.gz BALHPUOHJPUEPT-ZDUSSCGKSA-N 2 2 296.415 -0.249 20 0 CBADLP CCNC(=O)C[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000408120903 353853820 /nfs/dbraw/zinc/85/38/20/353853820.db2.gz BALHPUOHJPUEPT-ZDUSSCGKSA-N 2 2 296.415 -0.249 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC[N@@H+]1CCO ZINC000408372934 353905950 /nfs/dbraw/zinc/90/59/50/353905950.db2.gz CHAJWJPNHLQUEC-CHWSQXEVSA-N 2 2 292.383 -0.030 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC[N@H+]1CCO ZINC000408372934 353905953 /nfs/dbraw/zinc/90/59/53/353905953.db2.gz CHAJWJPNHLQUEC-CHWSQXEVSA-N 2 2 292.383 -0.030 20 0 CBADLP C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H](C)N2CC[NH+](C)CC2)CC1 ZINC000408439456 353918709 /nfs/dbraw/zinc/91/87/09/353918709.db2.gz RJSXQCJDJRYLRP-ZIAGYGMSSA-N 2 2 298.431 -0.853 20 0 CBADLP COC(=O)[C@H]1CN(Cc2[nH+]ccn2C)CC[N@H+](C)C1 ZINC000411913291 353941100 /nfs/dbraw/zinc/94/11/00/353941100.db2.gz WNUQEWZWFPQNBK-LLVKDONJSA-N 2 2 266.345 -0.043 20 0 CBADLP COC(=O)[C@H]1CN(Cc2[nH+]ccn2C)CC[N@@H+](C)C1 ZINC000411913291 353941105 /nfs/dbraw/zinc/94/11/05/353941105.db2.gz WNUQEWZWFPQNBK-LLVKDONJSA-N 2 2 266.345 -0.043 20 0 CBADLP C[C@@H]1[C@@H](CO)CCC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000412079016 353943687 /nfs/dbraw/zinc/94/36/87/353943687.db2.gz KUPCRROVGKXTKP-CHWSQXEVSA-N 2 2 269.389 -0.147 20 0 CBADLP C[C@@H]1[C@@H](CO)CCC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000412079016 353943689 /nfs/dbraw/zinc/94/36/89/353943689.db2.gz KUPCRROVGKXTKP-CHWSQXEVSA-N 2 2 269.389 -0.147 20 0 CBADLP CC(C)([NH3+])CNC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000418410494 353996817 /nfs/dbraw/zinc/99/68/17/353996817.db2.gz COTJTMOCWNKHGF-PHIMTYICSA-N 2 2 270.377 -0.114 20 0 CBADLP CC(C)([NH3+])CNC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000418410494 353996822 /nfs/dbraw/zinc/99/68/22/353996822.db2.gz COTJTMOCWNKHGF-PHIMTYICSA-N 2 2 270.377 -0.114 20 0 CBADLP CC(C)[C@@H]([NH3+])CNC(=O)NCC[NH+]1CCOCC1 ZINC000416430622 353968601 /nfs/dbraw/zinc/96/86/01/353968601.db2.gz CZYYTSUTWCSGQU-NSHDSACASA-N 2 2 258.366 -0.399 20 0 CBADLP CC(C)C[C@@H](C[NH3+])NC(=O)NCC[NH+]1CCOCC1 ZINC000416434376 353969228 /nfs/dbraw/zinc/96/92/28/353969228.db2.gz UGAJKHQAEBKFCZ-LBPRGKRZSA-N 2 2 272.393 -0.009 20 0 CBADLP C[C@H]1[NH2+]CCN(C(=O)NCC[NH+]2CCOCC2)[C@@H]1C ZINC000416441418 353970096 /nfs/dbraw/zinc/97/00/96/353970096.db2.gz VHDLPGMHYXTPNK-VXGBXAGGSA-N 2 2 270.377 -0.290 20 0 CBADLP CC(C)[C@H]([NH3+])CNC(=O)N(C)CC[NH+]1CCOCC1 ZINC000418416041 353996843 /nfs/dbraw/zinc/99/68/43/353996843.db2.gz VCYOMIYZKNOPDQ-GFCCVEGCSA-N 2 2 272.393 -0.057 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000417023577 353975770 /nfs/dbraw/zinc/97/57/70/353975770.db2.gz JZRSHDKXRUAVJG-PWSUYJOCSA-N 2 2 270.377 -0.256 20 0 CBADLP CN(CC[NH3+])C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000417497960 353977304 /nfs/dbraw/zinc/97/73/04/353977304.db2.gz CIFKLRWCGIUKFY-UHFFFAOYSA-N 2 2 258.366 -0.303 20 0 CBADLP CN(CC[NH3+])C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000417497960 353977308 /nfs/dbraw/zinc/97/73/08/353977308.db2.gz CIFKLRWCGIUKFY-UHFFFAOYSA-N 2 2 258.366 -0.303 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NC[C@H]([NH3+])C1CC1 ZINC000417503235 353978246 /nfs/dbraw/zinc/97/82/46/353978246.db2.gz CTIAXBZGXZXBDY-PWSUYJOCSA-N 2 2 270.377 -0.256 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NC[C@H]([NH3+])C1CC1 ZINC000417503235 353978251 /nfs/dbraw/zinc/97/82/51/353978251.db2.gz CTIAXBZGXZXBDY-PWSUYJOCSA-N 2 2 270.377 -0.256 20 0 CBADLP CC(C)[C@H]([NH3+])CNC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000417526182 353978301 /nfs/dbraw/zinc/97/83/01/353978301.db2.gz MEYHXIZHNHMNTR-VXGBXAGGSA-N 2 2 272.393 -0.010 20 0 CBADLP CC(C)[C@H]([NH3+])CNC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000417526182 353978307 /nfs/dbraw/zinc/97/83/07/353978307.db2.gz MEYHXIZHNHMNTR-VXGBXAGGSA-N 2 2 272.393 -0.010 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CC[NH2+]CC1 ZINC000417531371 353978457 /nfs/dbraw/zinc/97/84/57/353978457.db2.gz UKVWEMQIHGIRFU-LLVKDONJSA-N 2 2 256.350 -0.678 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CC[NH2+]CC1 ZINC000417531371 353978460 /nfs/dbraw/zinc/97/84/60/353978460.db2.gz UKVWEMQIHGIRFU-LLVKDONJSA-N 2 2 256.350 -0.678 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NCC(C)(C)[NH3+] ZINC000417530873 353978529 /nfs/dbraw/zinc/97/85/29/353978529.db2.gz SQGQOVVLZPNJDT-SNVBAGLBSA-N 2 2 258.366 -0.256 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NCC(C)(C)[NH3+] ZINC000417530873 353978532 /nfs/dbraw/zinc/97/85/32/353978532.db2.gz SQGQOVVLZPNJDT-SNVBAGLBSA-N 2 2 258.366 -0.256 20 0 CBADLP CC[NH2+]CCNC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000417527515 353978826 /nfs/dbraw/zinc/97/88/26/353978826.db2.gz OBQPMHJJYGJVTM-LLVKDONJSA-N 2 2 258.366 -0.384 20 0 CBADLP CC[NH2+]CCNC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000417527515 353978829 /nfs/dbraw/zinc/97/88/29/353978829.db2.gz OBQPMHJJYGJVTM-LLVKDONJSA-N 2 2 258.366 -0.384 20 0 CBADLP C[C@H](C[NH3+])CNC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000417513788 353978951 /nfs/dbraw/zinc/97/89/51/353978951.db2.gz ZKLWGILEHZPFLL-LLVKDONJSA-N 2 2 272.393 -0.009 20 0 CBADLP C[C@H](C[NH3+])CNC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000417513788 353978952 /nfs/dbraw/zinc/97/89/52/353978952.db2.gz ZKLWGILEHZPFLL-LLVKDONJSA-N 2 2 272.393 -0.009 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)NCC1([NH3+])CCC1 ZINC000417529739 353978989 /nfs/dbraw/zinc/97/89/89/353978989.db2.gz RHHYXHIPAYSNJU-NSHDSACASA-N 2 2 270.377 -0.112 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)NCC1([NH3+])CCC1 ZINC000417529739 353978990 /nfs/dbraw/zinc/97/89/90/353978990.db2.gz RHHYXHIPAYSNJU-NSHDSACASA-N 2 2 270.377 -0.112 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000417514316 353979054 /nfs/dbraw/zinc/97/90/54/353979054.db2.gz JFJHADLULMRZGC-NWDGAFQWSA-N 2 2 270.377 -0.290 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000417514316 353979056 /nfs/dbraw/zinc/97/90/56/353979056.db2.gz JFJHADLULMRZGC-NWDGAFQWSA-N 2 2 270.377 -0.290 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000417531903 353980158 /nfs/dbraw/zinc/98/01/58/353980158.db2.gz VGMMHWQJFDCIBL-NEPJUHHUSA-N 2 2 270.377 -0.242 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000417531903 353980161 /nfs/dbraw/zinc/98/01/61/353980161.db2.gz VGMMHWQJFDCIBL-NEPJUHHUSA-N 2 2 270.377 -0.242 20 0 CBADLP C[C@@H](CNC(=O)NCC(F)(F)C[NH3+])C[NH+]1CCOCC1 ZINC000417735810 353982014 /nfs/dbraw/zinc/98/20/14/353982014.db2.gz WJHDYSUONGQBEX-JTQLQIEISA-N 2 2 294.346 -0.152 20 0 CBADLP [NH3+]C[C@@H](NC(=O)CN1CC[NH2+]CC1=O)C1CCCC1 ZINC000417840211 353984533 /nfs/dbraw/zinc/98/45/33/353984533.db2.gz RVVPQDFVYCPBBG-LLVKDONJSA-N 2 2 268.361 -0.948 20 0 CBADLP CC(C)(C[NH3+])NC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000418201083 353988742 /nfs/dbraw/zinc/98/87/42/353988742.db2.gz AWZBAMVIEOOKKL-NSHDSACASA-N 2 2 270.377 -0.114 20 0 CBADLP CC(C)(C[NH3+])NC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000418201083 353988744 /nfs/dbraw/zinc/98/87/44/353988744.db2.gz AWZBAMVIEOOKKL-NSHDSACASA-N 2 2 270.377 -0.114 20 0 CBADLP CC[NH2+]CCNC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000418328115 353993892 /nfs/dbraw/zinc/99/38/92/353993892.db2.gz RNWNWQWNQHOUGY-LBPRGKRZSA-N 2 2 272.393 -0.042 20 0 CBADLP C[C@@H](O)CNc1cc(N2CC[N@H+](CCO)[C@@H](C)C2)nc[nH+]1 ZINC000413249642 353952195 /nfs/dbraw/zinc/95/21/95/353952195.db2.gz MNKCQZGESPGKDY-NWDGAFQWSA-N 2 2 295.387 -0.228 20 0 CBADLP C[C@@H](O)CNc1cc(N2CC[N@@H+](CCO)[C@@H](C)C2)nc[nH+]1 ZINC000413249642 353952197 /nfs/dbraw/zinc/95/21/97/353952197.db2.gz MNKCQZGESPGKDY-NWDGAFQWSA-N 2 2 295.387 -0.228 20 0 CBADLP C[C@@H](O)CNc1cc(N2CC[N@H+](CCO)C[C@@H]2C)nc[nH+]1 ZINC000413309823 353953677 /nfs/dbraw/zinc/95/36/77/353953677.db2.gz BOENKRHZJUNZOR-NWDGAFQWSA-N 2 2 295.387 -0.228 20 0 CBADLP C[C@@H](O)CNc1cc(N2CC[N@@H+](CCO)C[C@@H]2C)nc[nH+]1 ZINC000413309823 353953681 /nfs/dbraw/zinc/95/36/81/353953681.db2.gz BOENKRHZJUNZOR-NWDGAFQWSA-N 2 2 295.387 -0.228 20 0 CBADLP CC[NH+]1CCN(C(=O)NCC(F)(F)C[NH3+])CC1 ZINC000418521774 354001537 /nfs/dbraw/zinc/00/15/37/354001537.db2.gz HJDOXEKAFDJVGV-UHFFFAOYSA-N 2 2 250.293 -0.073 20 0 CBADLP C[C@H]1CN(C(=O)C(=O)NCCn2cc[nH+]c2)[C@@H](C)C[NH2+]1 ZINC000418894442 354014578 /nfs/dbraw/zinc/01/45/78/354014578.db2.gz ZEUANFZTTFESPW-QWRGUYRKSA-N 2 2 279.344 -0.792 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000419681099 354069268 /nfs/dbraw/zinc/06/92/68/354069268.db2.gz IBEPIUYHMICZJR-GRYCIOLGSA-N 2 2 293.371 -0.403 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]2)CC1 ZINC000419939684 354094161 /nfs/dbraw/zinc/09/41/61/354094161.db2.gz RXRZOLOEXZRNJX-GFCCVEGCSA-N 2 2 282.388 -0.591 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000420009629 354102129 /nfs/dbraw/zinc/10/21/29/354102129.db2.gz DCDBPKNDDSUYKK-STQMWFEESA-N 2 2 296.415 -0.216 20 0 CBADLP [NH3+]C[C@@H](NC(=O)C(=O)N1CC[NH+](C2CC2)CC1)C1CC1 ZINC000420024967 354104443 /nfs/dbraw/zinc/10/44/43/354104443.db2.gz ASUVTWHZYZLISC-GFCCVEGCSA-N 2 2 280.372 -0.854 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)NCC(C)(C)[NH3+])CC1 ZINC000420073477 354107609 /nfs/dbraw/zinc/10/76/09/354107609.db2.gz GNXPDMPDXNOJQH-UHFFFAOYSA-N 2 2 256.350 -0.996 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000420095918 354109403 /nfs/dbraw/zinc/10/94/03/354109403.db2.gz ZHPQAQUAPDKPOG-ZDUSSCGKSA-N 2 2 296.415 -0.216 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@H]2C[NH3+])CC1 ZINC000420286128 354121980 /nfs/dbraw/zinc/12/19/80/354121980.db2.gz FPVZACVQQBJVEA-LBPRGKRZSA-N 3 2 254.378 -0.426 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@H]2C[NH3+])CC1 ZINC000420286128 354121981 /nfs/dbraw/zinc/12/19/81/354121981.db2.gz FPVZACVQQBJVEA-LBPRGKRZSA-N 3 2 254.378 -0.426 20 0 CBADLP COC(=O)C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000420317290 354123270 /nfs/dbraw/zinc/12/32/70/354123270.db2.gz ZHMWABHYQAUNMQ-JTQLQIEISA-N 2 2 255.318 -0.944 20 0 CBADLP COC(=O)C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000420317290 354123272 /nfs/dbraw/zinc/12/32/72/354123272.db2.gz ZHMWABHYQAUNMQ-JTQLQIEISA-N 2 2 255.318 -0.944 20 0 CBADLP C[N@H+](CC(=O)NC(=O)NCC(F)(F)F)C1CC([NH3+])C1 ZINC000420343646 354124391 /nfs/dbraw/zinc/12/43/91/354124391.db2.gz XAGMPEQZOWRFBH-UHFFFAOYSA-N 2 2 282.266 -0.204 20 0 CBADLP C[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)C1CC([NH3+])C1 ZINC000420343646 354124395 /nfs/dbraw/zinc/12/43/95/354124395.db2.gz XAGMPEQZOWRFBH-UHFFFAOYSA-N 2 2 282.266 -0.204 20 0 CBADLP Cc1ccccc1CCNC(=O)C[N@H+](C)C[C@H](O)C[NH3+] ZINC000420354533 354125412 /nfs/dbraw/zinc/12/54/12/354125412.db2.gz OPIPQYVBNGZBIX-CQSZACIVSA-N 2 2 279.384 -0.095 20 0 CBADLP Cc1ccccc1CCNC(=O)C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420354533 354125414 /nfs/dbraw/zinc/12/54/14/354125414.db2.gz OPIPQYVBNGZBIX-CQSZACIVSA-N 2 2 279.384 -0.095 20 0 CBADLP C[N@@H+](CC(=O)NCCOc1ccc(F)cc1)C[C@@H](O)C[NH3+] ZINC000420356124 354125418 /nfs/dbraw/zinc/12/54/18/354125418.db2.gz QKILZPGQPZSPIQ-LBPRGKRZSA-N 2 2 299.346 -0.428 20 0 CBADLP C[N@H+](CC(=O)NCCOc1ccc(F)cc1)C[C@@H](O)C[NH3+] ZINC000420356124 354125419 /nfs/dbraw/zinc/12/54/19/354125419.db2.gz QKILZPGQPZSPIQ-LBPRGKRZSA-N 2 2 299.346 -0.428 20 0 CBADLP C[C@H](C(=O)NCCc1ccccc1)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420354145 354125539 /nfs/dbraw/zinc/12/55/39/354125539.db2.gz OGDQZDXXOYZNHT-TZMCWYRMSA-N 2 2 279.384 -0.015 20 0 CBADLP C[C@H](C(=O)NCCc1ccccc1)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420354145 354125541 /nfs/dbraw/zinc/12/55/41/354125541.db2.gz OGDQZDXXOYZNHT-TZMCWYRMSA-N 2 2 279.384 -0.015 20 0 CBADLP C[C@@H](C(=O)NCCc1ccccc1)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420354142 354125627 /nfs/dbraw/zinc/12/56/27/354125627.db2.gz OGDQZDXXOYZNHT-JSGCOSHPSA-N 2 2 279.384 -0.015 20 0 CBADLP C[C@@H](C(=O)NCCc1ccccc1)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420354142 354125629 /nfs/dbraw/zinc/12/56/29/354125629.db2.gz OGDQZDXXOYZNHT-JSGCOSHPSA-N 2 2 279.384 -0.015 20 0 CBADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CCC(=O)N1CC[NH2+]CC1 ZINC000420366285 354125648 /nfs/dbraw/zinc/12/56/48/354125648.db2.gz LZZNXXVSDZIPSS-BZPMIXESSA-N 3 2 268.405 -0.216 20 0 CBADLP CCNC(=O)NC(=O)C[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000420367679 354126520 /nfs/dbraw/zinc/12/65/20/354126520.db2.gz NAWMKYUCMJPQEV-IQJOONFLSA-N 2 2 256.350 -0.192 20 0 CBADLP CC(C)CN1CC[N@H+](CCC(=O)N2CC[NH2+]CC2)CC1=O ZINC000420367342 354127034 /nfs/dbraw/zinc/12/70/34/354127034.db2.gz VLKMVQVVDCAVCM-UHFFFAOYSA-N 2 2 296.415 -0.392 20 0 CBADLP CC(C)CN1CC[N@@H+](CCC(=O)N2CC[NH2+]CC2)CC1=O ZINC000420367342 354127039 /nfs/dbraw/zinc/12/70/39/354127039.db2.gz VLKMVQVVDCAVCM-UHFFFAOYSA-N 2 2 296.415 -0.392 20 0 CBADLP C[C@H](CNC(=O)[C@@H]([NH3+])C1CCC1)[NH+]1CCOCC1 ZINC000423332768 354169404 /nfs/dbraw/zinc/16/94/04/354169404.db2.gz RCKNVEVARVMURS-PWSUYJOCSA-N 2 2 255.362 -0.049 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@@H]2C[C@@H](C)CC[NH2+]2)CC1 ZINC000423346319 354170089 /nfs/dbraw/zinc/17/00/89/354170089.db2.gz ZUEKDARPCJFSMB-JSGCOSHPSA-N 2 2 296.415 -0.345 20 0 CBADLP CC1(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C[NH2+]C1 ZINC000423369757 354172041 /nfs/dbraw/zinc/17/20/41/354172041.db2.gz TXJOCSXFZGBVEB-AWEZNQCLSA-N 2 2 299.440 -0.080 20 0 CBADLP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N2CC[NH2+][C@@H](C)C2)C[C@@H]1C ZINC000423365426 354172109 /nfs/dbraw/zinc/17/21/09/354172109.db2.gz BFGZIYWVQLZRFH-RWMBFGLXSA-N 2 2 296.415 -0.252 20 0 CBADLP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N2CC[NH2+][C@@H](C)C2)C[C@@H]1C ZINC000423365426 354172111 /nfs/dbraw/zinc/17/21/11/354172111.db2.gz BFGZIYWVQLZRFH-RWMBFGLXSA-N 2 2 296.415 -0.252 20 0 CBADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[NH2+]CC2)C[C@@H]1C ZINC000423383777 354173564 /nfs/dbraw/zinc/17/35/64/354173564.db2.gz KRYAGTDNIHWNQJ-RYUDHWBXSA-N 2 2 282.388 -0.641 20 0 CBADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[NH2+]CC2)C[C@@H]1C ZINC000423383777 354173568 /nfs/dbraw/zinc/17/35/68/354173568.db2.gz KRYAGTDNIHWNQJ-RYUDHWBXSA-N 2 2 282.388 -0.641 20 0 CBADLP COC[C@]1(C(=O)NCC[N@@H+]2CCOCC2(C)C)CC[NH2+]C1 ZINC000423379773 354173814 /nfs/dbraw/zinc/17/38/14/354173814.db2.gz NEZJQMJDYZPZPE-HNNXBMFYSA-N 2 2 299.415 -0.161 20 0 CBADLP COC[C@]1(C(=O)NCC[N@H+]2CCOCC2(C)C)CC[NH2+]C1 ZINC000423379773 354173815 /nfs/dbraw/zinc/17/38/15/354173815.db2.gz NEZJQMJDYZPZPE-HNNXBMFYSA-N 2 2 299.415 -0.161 20 0 CBADLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000423402508 354175026 /nfs/dbraw/zinc/17/50/26/354175026.db2.gz XUJALFLXCSBUDP-RISCZKNCSA-N 2 2 267.373 -0.035 20 0 CBADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000423402508 354175030 /nfs/dbraw/zinc/17/50/30/354175030.db2.gz XUJALFLXCSBUDP-RISCZKNCSA-N 2 2 267.373 -0.035 20 0 CBADLP COC(=O)C[C@H]([NH3+])C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000423427193 354176065 /nfs/dbraw/zinc/17/60/65/354176065.db2.gz NLKDIWCMDWCODQ-NSHDSACASA-N 2 2 269.345 -0.427 20 0 CBADLP O=C([C@H]1COCC[N@@H+]1CC1CCC1)N1CC[NH2+]CC1 ZINC000422706380 354151235 /nfs/dbraw/zinc/15/12/35/354151235.db2.gz UHFRQVFHTXUHGW-CYBMUJFWSA-N 2 2 267.373 -0.081 20 0 CBADLP O=C([C@H]1COCC[N@H+]1CC1CCC1)N1CC[NH2+]CC1 ZINC000422706380 354151238 /nfs/dbraw/zinc/15/12/38/354151238.db2.gz UHFRQVFHTXUHGW-CYBMUJFWSA-N 2 2 267.373 -0.081 20 0 CBADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000422699219 354151499 /nfs/dbraw/zinc/15/14/99/354151499.db2.gz COUCJRZEXCMIPA-GFCCVEGCSA-N 2 2 255.362 -0.081 20 0 CBADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000422699219 354151504 /nfs/dbraw/zinc/15/15/04/354151504.db2.gz COUCJRZEXCMIPA-GFCCVEGCSA-N 2 2 255.362 -0.081 20 0 CBADLP C[NH2+]CCNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000422782897 354154857 /nfs/dbraw/zinc/15/48/57/354154857.db2.gz NQPBRFMWVKNZAV-LBPRGKRZSA-N 2 2 255.362 -0.177 20 0 CBADLP C[NH2+]CCNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000422782897 354154862 /nfs/dbraw/zinc/15/48/62/354154862.db2.gz NQPBRFMWVKNZAV-LBPRGKRZSA-N 2 2 255.362 -0.177 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000422835425 354155863 /nfs/dbraw/zinc/15/58/63/354155863.db2.gz IVNJPGHWBJTRAU-NSHDSACASA-N 2 2 270.377 -0.737 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000422835425 354155868 /nfs/dbraw/zinc/15/58/68/354155868.db2.gz IVNJPGHWBJTRAU-NSHDSACASA-N 2 2 270.377 -0.737 20 0 CBADLP CC(=O)N1CCN(CC[NH2+][C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000422867354 354156818 /nfs/dbraw/zinc/15/68/18/354156818.db2.gz RYQOCEIOQOBXGQ-TZMCWYRMSA-N 2 2 268.405 -0.262 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC000422982396 354159791 /nfs/dbraw/zinc/15/97/91/354159791.db2.gz WNPCMBAJNONEEE-NSHDSACASA-N 2 2 268.361 -0.900 20 0 CBADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NCC[NH2+]CCOC ZINC000423512603 354178895 /nfs/dbraw/zinc/17/88/95/354178895.db2.gz KTYNKLZIERSGMI-ZDUSSCGKSA-N 2 2 287.404 -0.161 20 0 CBADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NCC[NH2+]CCOC ZINC000423512603 354178900 /nfs/dbraw/zinc/17/89/00/354178900.db2.gz KTYNKLZIERSGMI-ZDUSSCGKSA-N 2 2 287.404 -0.161 20 0 CBADLP [NH3+]C[C@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CCO1 ZINC000423540055 354179389 /nfs/dbraw/zinc/17/93/89/354179389.db2.gz PUNGVUQZBSPKTO-KBPBESRZSA-N 2 2 297.399 -0.184 20 0 CBADLP [NH3+]C[C@H]1CN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CCO1 ZINC000423540055 354179391 /nfs/dbraw/zinc/17/93/91/354179391.db2.gz PUNGVUQZBSPKTO-KBPBESRZSA-N 2 2 297.399 -0.184 20 0 CBADLP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CCO1 ZINC000423540058 354179780 /nfs/dbraw/zinc/17/97/80/354179780.db2.gz PUNGVUQZBSPKTO-KGLIPLIRSA-N 2 2 297.399 -0.184 20 0 CBADLP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CCO1 ZINC000423540058 354179782 /nfs/dbraw/zinc/17/97/82/354179782.db2.gz PUNGVUQZBSPKTO-KGLIPLIRSA-N 2 2 297.399 -0.184 20 0 CBADLP C[C@@H](C[NH3+])NC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000423589301 354181622 /nfs/dbraw/zinc/18/16/22/354181622.db2.gz HEDGEEZWYSWTOA-CMPLNLGQSA-N 2 2 255.362 -0.049 20 0 CBADLP C[C@@H](C[NH3+])NC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000423589301 354181627 /nfs/dbraw/zinc/18/16/27/354181627.db2.gz HEDGEEZWYSWTOA-CMPLNLGQSA-N 2 2 255.362 -0.049 20 0 CBADLP C[NH+]1CCN(C(=O)C(=O)N2CCCC[C@H]2C[NH3+])CC1 ZINC000423611150 354184977 /nfs/dbraw/zinc/18/49/77/354184977.db2.gz RSBNSKUQMSQHDT-NSHDSACASA-N 2 2 268.361 -0.900 20 0 CBADLP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000423651770 354188687 /nfs/dbraw/zinc/18/86/87/354188687.db2.gz QAQGJYAZXOTDFK-GFCCVEGCSA-N 2 2 294.399 -0.639 20 0 CBADLP CCCN(C(=O)C(=O)N1CC[NH+](CC)CC1)[C@@H]1CC[NH2+]C1 ZINC000423659938 354189218 /nfs/dbraw/zinc/18/92/18/354189218.db2.gz IXCINGURWXTQKE-CYBMUJFWSA-N 2 2 296.415 -0.249 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N(C)C1CC([NH3+])C1 ZINC000423710160 354193123 /nfs/dbraw/zinc/19/31/23/354193123.db2.gz RKDQDAUVILOMAN-UHFFFAOYSA-N 2 2 270.377 -0.609 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N(C)C1CC([NH3+])C1 ZINC000423710160 354193128 /nfs/dbraw/zinc/19/31/28/354193128.db2.gz RKDQDAUVILOMAN-UHFFFAOYSA-N 2 2 270.377 -0.609 20 0 CBADLP CC(C)[NH+]1CCN(C(=O)C(=O)N2CC[NH2+]C(C)(C)C2)CC1 ZINC000423729784 354194660 /nfs/dbraw/zinc/19/46/60/354194660.db2.gz VVKCRFGPAASZTF-UHFFFAOYSA-N 2 2 296.415 -0.251 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)C[C@@H]1CCC[NH2+]1 ZINC000423749928 354197430 /nfs/dbraw/zinc/19/74/30/354197430.db2.gz WNKBEJZHGAEYKY-LBPRGKRZSA-N 2 2 255.362 -0.081 20 0 CBADLP COC[C@@H]([NH3+])C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000423760176 354198230 /nfs/dbraw/zinc/19/82/30/354198230.db2.gz JIPFXUYSAPBSLL-GRYCIOLGSA-N 2 2 273.377 -0.472 20 0 CBADLP COC[C@@H]([NH3+])C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000423760176 354198233 /nfs/dbraw/zinc/19/82/33/354198233.db2.gz JIPFXUYSAPBSLL-GRYCIOLGSA-N 2 2 273.377 -0.472 20 0 CBADLP CC[C@H]([NH3+])C(=O)N1CC[N@H+](CCC(=O)OC)[C@H](C)C1 ZINC000423892112 354204579 /nfs/dbraw/zinc/20/45/79/354204579.db2.gz JZBWLKXKIIIQTO-MNOVXSKESA-N 2 2 271.361 -0.181 20 0 CBADLP CC[C@H]([NH3+])C(=O)N1CC[N@@H+](CCC(=O)OC)[C@H](C)C1 ZINC000423892112 354204580 /nfs/dbraw/zinc/20/45/80/354204580.db2.gz JZBWLKXKIIIQTO-MNOVXSKESA-N 2 2 271.361 -0.181 20 0 CBADLP COC[C@@]1(C(=O)NC[C@H]2CC[NH2+]CC2(F)F)CC[NH2+]C1 ZINC000424193832 354218073 /nfs/dbraw/zinc/21/80/73/354218073.db2.gz RHZYLCFIHPDRHG-ZYHUDNBSSA-N 2 2 291.342 -0.027 20 0 CBADLP [NH3+][C@@H]1C[C@@H]1C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000424128980 354209899 /nfs/dbraw/zinc/20/98/99/354209899.db2.gz FTQOBQXNUVMFAM-NWDGAFQWSA-N 2 2 276.340 -0.118 20 0 CBADLP [NH3+][C@@H]1C[C@@H]1C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000424155607 354211712 /nfs/dbraw/zinc/21/17/12/354211712.db2.gz MZXKAZJYAWXMTE-LOWVWBTDSA-N 2 2 285.413 -0.342 20 0 CBADLP COCC[NH2+]CC(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424162263 354212363 /nfs/dbraw/zinc/21/23/63/354212363.db2.gz CKXINSRRRZJRFQ-VIFPVBQESA-N 2 2 265.304 -0.417 20 0 CBADLP Cn1cc(C[NH+]2CCN(C(=O)[C@@H]3C[C@@H]3[NH3+])CC2)cn1 ZINC000424157794 354212529 /nfs/dbraw/zinc/21/25/29/354212529.db2.gz RLPOOYKUPOMDAG-NEPJUHHUSA-N 2 2 263.345 -0.589 20 0 CBADLP O=C(NC[C@H]1CC[NH2+]CC1(F)F)[C@H]1COCC[NH2+]1 ZINC000424166218 354213011 /nfs/dbraw/zinc/21/30/11/354213011.db2.gz GOAJVVHYBRGGDH-RKDXNWHRSA-N 2 2 263.288 -0.664 20 0 CBADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)[C@@H]1COCC[NH2+]1 ZINC000424166216 354213152 /nfs/dbraw/zinc/21/31/52/354213152.db2.gz GOAJVVHYBRGGDH-IUCAKERBSA-N 2 2 263.288 -0.664 20 0 CBADLP Cn1cc[nH+]c1[C@H]1CN(C(=O)[C@H]2COCC[NH2+]2)CCN1C ZINC000424169524 354214108 /nfs/dbraw/zinc/21/41/08/354214108.db2.gz JTCWQUGCHXQGLR-VXGBXAGGSA-N 2 2 293.371 -0.776 20 0 CBADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)[C@H]1C[NH2+]CCO1 ZINC000424178320 354215475 /nfs/dbraw/zinc/21/54/75/354215475.db2.gz WMUPPNXSXGZMLC-VXGBXAGGSA-N 2 2 276.340 -0.235 20 0 CBADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424193613 354218356 /nfs/dbraw/zinc/21/83/56/354218356.db2.gz QYUILUZLHHOOCK-BBBLOLIVSA-N 2 2 277.315 -0.276 20 0 CBADLP O=C(NC[C@@H]1C[NH+]2CCN1CC2)[C@H]1CCC[N@@H+]1C1CC1 ZINC000427057215 354245132 /nfs/dbraw/zinc/24/51/32/354245132.db2.gz OCJIFGLUJUQBBW-ZIAGYGMSSA-N 2 2 278.400 -0.271 20 0 CBADLP O=C(NC[C@@H]1C[NH+]2CCN1CC2)[C@H]1CCC[N@H+]1C1CC1 ZINC000427057215 354245136 /nfs/dbraw/zinc/24/51/36/354245136.db2.gz OCJIFGLUJUQBBW-ZIAGYGMSSA-N 2 2 278.400 -0.271 20 0 CBADLP C[C@H](C(=O)NCCCN1CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000428743602 354247282 /nfs/dbraw/zinc/24/72/82/354247282.db2.gz FUECMHOMYZYCCT-CYBMUJFWSA-N 2 2 284.404 -0.881 20 0 CBADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000430581129 354250789 /nfs/dbraw/zinc/25/07/89/354250789.db2.gz NWMOFHDEDHQMEV-BXUZGUMPSA-N 2 2 284.404 -0.327 20 0 CBADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C ZINC000430569355 354250997 /nfs/dbraw/zinc/25/09/97/354250997.db2.gz HMUGBLJEEFYGBA-GXFFZTMASA-N 2 2 272.393 -0.458 20 0 CBADLP CCNC(=O)NC(=O)[C@H](C)[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000433493763 354253146 /nfs/dbraw/zinc/25/31/46/354253146.db2.gz MJVHTCZALZSLKQ-QPUJVOFHSA-N 2 2 256.350 -0.062 20 0 CBADLP C[C@H]([NH3+])C[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000442662292 354258782 /nfs/dbraw/zinc/25/87/82/354258782.db2.gz HLMWUKPYUXJQQB-NWDGAFQWSA-N 2 2 255.362 -0.096 20 0 CBADLP C[C@H]([NH3+])C[N@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000442662292 354258785 /nfs/dbraw/zinc/25/87/85/354258785.db2.gz HLMWUKPYUXJQQB-NWDGAFQWSA-N 2 2 255.362 -0.096 20 0 CBADLP C[C@@H]1CN(C(=O)[C@H]2CC[NH2+]2)C[C@@H]1[NH+]1CCOCC1 ZINC000444264127 354266806 /nfs/dbraw/zinc/26/68/06/354266806.db2.gz IRFSBCUNHPDWTD-UTUOFQBUSA-N 2 2 253.346 -0.473 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)CC1 ZINC000444193928 354264291 /nfs/dbraw/zinc/26/42/91/354264291.db2.gz RYCXIMJPPYVFDR-DZGCQCFKSA-N 2 2 294.399 -0.734 20 0 CBADLP COC[C@H]([NH3+])C(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC000424217003 354219044 /nfs/dbraw/zinc/21/90/44/354219044.db2.gz JWWRMVBSISXZCQ-NSHDSACASA-N 2 2 273.377 -0.471 20 0 CBADLP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CC[NH+](CCO)CC1 ZINC000445735443 354283100 /nfs/dbraw/zinc/28/31/00/354283100.db2.gz TVXJOAAIHFOGEK-STQMWFEESA-N 2 2 269.389 -0.004 20 0 CBADLP CO[C@H](C[NH3+])CC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000447439121 354298502 /nfs/dbraw/zinc/29/85/02/354298502.db2.gz JCUGCKVIBFSHAT-ZDUSSCGKSA-N 3 2 286.420 -0.508 20 0 CBADLP CO[C@H](C[NH3+])CC(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000447442575 354298546 /nfs/dbraw/zinc/29/85/46/354298546.db2.gz SNQLDGOBMNLHFB-QWRGUYRKSA-N 2 2 254.334 -0.001 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@](O)(C(F)F)C2)CC1 ZINC000451431281 354337062 /nfs/dbraw/zinc/33/70/62/354337062.db2.gz FCBGPBWXVXSUSF-LBPRGKRZSA-N 2 2 277.315 -0.538 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@](O)(C(F)F)C2)CC1 ZINC000451431281 354337065 /nfs/dbraw/zinc/33/70/65/354337065.db2.gz FCBGPBWXVXSUSF-LBPRGKRZSA-N 2 2 277.315 -0.538 20 0 CBADLP CCO[C@@H]1COC[C@H]1[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000451945073 354344965 /nfs/dbraw/zinc/34/49/65/354344965.db2.gz IHNBMZYSZYLPCH-YNEHKIRRSA-N 2 2 258.362 -0.165 20 0 CBADLP CCO[C@@H]1COC[C@H]1[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000451945073 354344967 /nfs/dbraw/zinc/34/49/67/354344967.db2.gz IHNBMZYSZYLPCH-YNEHKIRRSA-N 2 2 258.362 -0.165 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)NC2C[NH+](C(C)C)C2)C1 ZINC000457728523 354373094 /nfs/dbraw/zinc/37/30/94/354373094.db2.gz VEWJIJYGFBVMMV-GFCCVEGCSA-N 2 2 255.362 -0.084 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)NC2C[NH+](C(C)C)C2)C1 ZINC000457728523 354373097 /nfs/dbraw/zinc/37/30/97/354373097.db2.gz VEWJIJYGFBVMMV-GFCCVEGCSA-N 2 2 255.362 -0.084 20 0 CBADLP C[NH+](C)CC(C)(C)NC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000458324196 354375403 /nfs/dbraw/zinc/37/54/03/354375403.db2.gz XVPHQUUJWJHGBS-NSHDSACASA-N 2 2 272.393 -0.044 20 0 CBADLP C[NH+](C)CC(C)(C)NC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000458324196 354375406 /nfs/dbraw/zinc/37/54/06/354375406.db2.gz XVPHQUUJWJHGBS-NSHDSACASA-N 2 2 272.393 -0.044 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[NH+]([C@H]3CCSC3)CC2)C1 ZINC000370361909 283018806 /nfs/dbraw/zinc/01/88/06/283018806.db2.gz NQDOZIHSYXFZNE-STQMWFEESA-N 2 2 299.440 -0.033 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N2CC[NH+]([C@H]3CCSC3)CC2)C1 ZINC000370361909 283018808 /nfs/dbraw/zinc/01/88/08/283018808.db2.gz NQDOZIHSYXFZNE-STQMWFEESA-N 2 2 299.440 -0.033 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000456219088 354362256 /nfs/dbraw/zinc/36/22/56/354362256.db2.gz UBFHWFZEVBGCAP-MJBXVCDLSA-N 2 2 297.399 -0.314 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)NCC[NH+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000456219088 354362260 /nfs/dbraw/zinc/36/22/60/354362260.db2.gz UBFHWFZEVBGCAP-MJBXVCDLSA-N 2 2 297.399 -0.314 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000456219088 354362262 /nfs/dbraw/zinc/36/22/62/354362262.db2.gz UBFHWFZEVBGCAP-MJBXVCDLSA-N 2 2 297.399 -0.314 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000456219088 354362265 /nfs/dbraw/zinc/36/22/65/354362265.db2.gz UBFHWFZEVBGCAP-MJBXVCDLSA-N 2 2 297.399 -0.314 20 0 CBADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](CCO)C[C@@H]2C)C1 ZINC000457091185 354368760 /nfs/dbraw/zinc/36/87/60/354368760.db2.gz FHSAZYOJJPVMLG-KBPBESRZSA-N 2 2 299.415 -0.379 20 0 CBADLP CC(C)[N@H+]1CCO[C@H](C(=O)N2CC[NH+](CCO)C[C@@H]2C)C1 ZINC000457091185 354368761 /nfs/dbraw/zinc/36/87/61/354368761.db2.gz FHSAZYOJJPVMLG-KBPBESRZSA-N 2 2 299.415 -0.379 20 0 CBADLP CC(C)[NH+]1CCO[C@H](C(=O)N2CC[N@H+](CCO)C[C@@H]2C)C1 ZINC000457091185 354368763 /nfs/dbraw/zinc/36/87/63/354368763.db2.gz FHSAZYOJJPVMLG-KBPBESRZSA-N 2 2 299.415 -0.379 20 0 CBADLP CC(C)[NH+]1CCO[C@H](C(=O)N2CC[N@@H+](CCO)C[C@@H]2C)C1 ZINC000457091185 354368765 /nfs/dbraw/zinc/36/87/65/354368765.db2.gz FHSAZYOJJPVMLG-KBPBESRZSA-N 2 2 299.415 -0.379 20 0 CBADLP COCC[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@@H]1CCOC1 ZINC000490069858 354439096 /nfs/dbraw/zinc/43/90/96/354439096.db2.gz ADVHBDSIOOXAHT-CYBMUJFWSA-N 2 2 285.388 -0.502 20 0 CBADLP COCC[N@@H+](CC(=O)N1CC[NH+](C)CC1)[C@@H]1CCOC1 ZINC000490069858 354439099 /nfs/dbraw/zinc/43/90/99/354439099.db2.gz ADVHBDSIOOXAHT-CYBMUJFWSA-N 2 2 285.388 -0.502 20 0 CBADLP C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000479783235 354408465 /nfs/dbraw/zinc/40/84/65/354408465.db2.gz VTAGSNIZIONROA-ZDEQEGDKSA-N 2 2 294.399 -0.750 20 0 CBADLP C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000479783235 354408469 /nfs/dbraw/zinc/40/84/69/354408469.db2.gz VTAGSNIZIONROA-ZDEQEGDKSA-N 2 2 294.399 -0.750 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)/C=C\C[NH+](C)C ZINC000491686729 354460047 /nfs/dbraw/zinc/46/00/47/354460047.db2.gz SGFFDGFMLVPMQG-RXNFCKPNSA-N 2 2 255.362 -0.059 20 0 CBADLP C[NH+]1CCN(C(=O)CCNC(=O)/C=C/c2[nH]cc[nH+]2)CC1 ZINC000493073398 354487922 /nfs/dbraw/zinc/48/79/22/354487922.db2.gz SHWWCQVTUBMPSA-NSCUHMNNSA-N 2 2 291.355 -0.297 20 0 CBADLP O=C(C=Cc1c[nH]c[nH+]1)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000493174071 354489640 /nfs/dbraw/zinc/48/96/40/354489640.db2.gz WRLVKIXWYOLHSS-BOPNBLERSA-N 2 2 276.340 -0.004 20 0 CBADLP C[NH+](C)CC(=O)N1CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000493273294 354492097 /nfs/dbraw/zinc/49/20/97/354492097.db2.gz PUULUPKWLLWOOP-ARJAWSKDSA-N 2 2 291.355 -0.345 20 0 CBADLP C[N@@H+]1CCN(C(=O)C2CC[NH+](C3CC3)CC2)[C@H](C[NH3+])C1 ZINC000515381534 354555836 /nfs/dbraw/zinc/55/58/36/354555836.db2.gz SGMRYLMEOWLXAC-CQSZACIVSA-N 3 2 280.416 -0.038 20 0 CBADLP C[N@H+]1CCN(C(=O)C2CC[NH+](C3CC3)CC2)[C@H](C[NH3+])C1 ZINC000515381534 354555838 /nfs/dbraw/zinc/55/58/38/354555838.db2.gz SGMRYLMEOWLXAC-CQSZACIVSA-N 3 2 280.416 -0.038 20 0 CBADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000515523112 354556075 /nfs/dbraw/zinc/55/60/75/354556075.db2.gz OFXMTXKBSIXWGH-GRYCIOLGSA-N 3 2 269.393 -0.731 20 0 CBADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000515523112 354556077 /nfs/dbraw/zinc/55/60/77/354556077.db2.gz OFXMTXKBSIXWGH-GRYCIOLGSA-N 3 2 269.393 -0.731 20 0 CBADLP CN(C)c1cc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])ncn1 ZINC000519353028 354560074 /nfs/dbraw/zinc/56/00/74/354560074.db2.gz GKOUXCLBYYNWJW-SNVBAGLBSA-N 2 2 293.375 -0.351 20 0 CBADLP CN(C)c1cc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])ncn1 ZINC000519353028 354560076 /nfs/dbraw/zinc/56/00/76/354560076.db2.gz GKOUXCLBYYNWJW-SNVBAGLBSA-N 2 2 293.375 -0.351 20 0 CBADLP Cc1cnn(CC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c1 ZINC000519820822 354565802 /nfs/dbraw/zinc/56/58/02/354565802.db2.gz BFBLYLYCEACGBB-NSHDSACASA-N 2 2 251.334 -0.707 20 0 CBADLP Cc1cnn(CC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c1 ZINC000519820822 354565806 /nfs/dbraw/zinc/56/58/06/354565806.db2.gz BFBLYLYCEACGBB-NSHDSACASA-N 2 2 251.334 -0.707 20 0 CBADLP Cc1cc(NC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc[nH+]1 ZINC000520430723 354567667 /nfs/dbraw/zinc/56/76/67/354567667.db2.gz JEQNXPFCYXGARF-VXGBXAGGSA-N 2 2 289.339 -0.412 20 0 CBADLP CN1CC[N@H+](C)[C@H](CNC(=O)N[C@H]2CC[NH2+]C23CCC3)C1 ZINC000529308979 354583996 /nfs/dbraw/zinc/58/39/96/354583996.db2.gz XIIWPVRNHUKBCT-OLZOCXBDSA-N 2 2 295.431 -0.184 20 0 CBADLP CN1CC[N@@H+](C)[C@H](CNC(=O)N[C@H]2CC[NH2+]C23CCC3)C1 ZINC000529308979 354584001 /nfs/dbraw/zinc/58/40/01/354584001.db2.gz XIIWPVRNHUKBCT-OLZOCXBDSA-N 2 2 295.431 -0.184 20 0 CBADLP COC(=O)CNC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000533429669 354592480 /nfs/dbraw/zinc/59/24/80/354592480.db2.gz DZEOLMLKGWTWBY-VXGBXAGGSA-N 2 2 285.388 -0.062 20 0 CBADLP COC(=O)CNC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000533429669 354592483 /nfs/dbraw/zinc/59/24/83/354592483.db2.gz DZEOLMLKGWTWBY-VXGBXAGGSA-N 2 2 285.388 -0.062 20 0 CBADLP COC(=O)CNC(=O)[C@@H](C)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000533429669 354592485 /nfs/dbraw/zinc/59/24/85/354592485.db2.gz DZEOLMLKGWTWBY-VXGBXAGGSA-N 2 2 285.388 -0.062 20 0 CBADLP COC(=O)CNC(=O)[C@@H](C)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000533429669 354592489 /nfs/dbraw/zinc/59/24/89/354592489.db2.gz DZEOLMLKGWTWBY-VXGBXAGGSA-N 2 2 285.388 -0.062 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000544026896 354640033 /nfs/dbraw/zinc/64/00/33/354640033.db2.gz PDIBAJRKAZLZCC-KBPBESRZSA-N 2 2 299.415 -0.208 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000544026896 354640035 /nfs/dbraw/zinc/64/00/35/354640035.db2.gz PDIBAJRKAZLZCC-KBPBESRZSA-N 2 2 299.415 -0.208 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000544026899 354640135 /nfs/dbraw/zinc/64/01/35/354640135.db2.gz PDIBAJRKAZLZCC-ZIAGYGMSSA-N 2 2 299.415 -0.208 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000544026899 354640137 /nfs/dbraw/zinc/64/01/37/354640137.db2.gz PDIBAJRKAZLZCC-ZIAGYGMSSA-N 2 2 299.415 -0.208 20 0 CBADLP CC1=CC[N@H+](CC[NH2+]Cc2cn(C)c(=O)n(C)c2=O)CC1 ZINC000546577351 354652826 /nfs/dbraw/zinc/65/28/26/354652826.db2.gz FFTHQVMOSOUZIA-UHFFFAOYSA-N 2 2 292.383 -0.174 20 0 CBADLP CC1=CC[N@@H+](CC[NH2+]Cc2cn(C)c(=O)n(C)c2=O)CC1 ZINC000546577351 354652829 /nfs/dbraw/zinc/65/28/29/354652829.db2.gz FFTHQVMOSOUZIA-UHFFFAOYSA-N 2 2 292.383 -0.174 20 0 CBADLP [NH3+]C[C@H](NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)C1CC1 ZINC000562814557 354688083 /nfs/dbraw/zinc/68/80/83/354688083.db2.gz GNEPZCQAYDUUMG-XQQFMLRXSA-N 2 2 282.388 -0.114 20 0 CBADLP [NH3+]C[C@H](NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)C1CC1 ZINC000562814557 354688086 /nfs/dbraw/zinc/68/80/86/354688086.db2.gz GNEPZCQAYDUUMG-XQQFMLRXSA-N 2 2 282.388 -0.114 20 0 CBADLP COC[C@@]1(CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])CCC[NH2+]1 ZINC000562815800 354688252 /nfs/dbraw/zinc/68/82/52/354688252.db2.gz BFHSNTYVUDCHCD-JSGCOSHPSA-N 3 2 299.419 -0.961 20 0 CBADLP COC[C@@]1(CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])CCC[NH2+]1 ZINC000562815800 354688255 /nfs/dbraw/zinc/68/82/55/354688255.db2.gz BFHSNTYVUDCHCD-JSGCOSHPSA-N 3 2 299.419 -0.961 20 0 CBADLP COC(=O)CN(CC[NH+]1CCOCC1)C(=O)C[NH2+]C1CC1 ZINC000562977690 354690756 /nfs/dbraw/zinc/69/07/56/354690756.db2.gz GQWMQHGYEWXWIY-UHFFFAOYSA-N 2 2 299.371 -0.928 20 0 CBADLP CC(C)NS(=O)(=O)CC[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000562988438 354691866 /nfs/dbraw/zinc/69/18/66/354691866.db2.gz ZRFQIPGOJLTNTJ-LBPRGKRZSA-N 2 2 293.433 -0.641 20 0 CBADLP CC(C)NS(=O)(=O)CC[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000562988438 354691867 /nfs/dbraw/zinc/69/18/67/354691867.db2.gz ZRFQIPGOJLTNTJ-LBPRGKRZSA-N 2 2 293.433 -0.641 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000563088811 354695062 /nfs/dbraw/zinc/69/50/62/354695062.db2.gz JVIXGIKSUDIEKY-CQSZACIVSA-N 2 2 280.372 -0.980 20 0 CBADLP C[NH+](C)Cc1ccnc(NC(=O)CN2CC[NH2+]CC2=O)c1 ZINC000563078177 354695350 /nfs/dbraw/zinc/69/53/50/354695350.db2.gz NRAVJIDWNHVYIL-UHFFFAOYSA-N 2 2 291.355 -0.487 20 0 CBADLP COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)[NH3+])C1 ZINC000563098548 354696775 /nfs/dbraw/zinc/69/67/75/354696775.db2.gz WSQHNZAMAHSDSC-SNVBAGLBSA-N 2 2 271.361 -0.275 20 0 CBADLP COC(=O)C[N@H+]1CCC[C@H](CNC(=O)C(C)(C)[NH3+])C1 ZINC000563098548 354696777 /nfs/dbraw/zinc/69/67/77/354696777.db2.gz WSQHNZAMAHSDSC-SNVBAGLBSA-N 2 2 271.361 -0.275 20 0 CBADLP COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000563098598 354696860 /nfs/dbraw/zinc/69/68/60/354696860.db2.gz YLCJGLABVTZUKF-AXFHLTTASA-N 2 2 269.345 -0.665 20 0 CBADLP COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000563098598 354696863 /nfs/dbraw/zinc/69/68/63/354696863.db2.gz YLCJGLABVTZUKF-AXFHLTTASA-N 2 2 269.345 -0.665 20 0 CBADLP C[N@@H+]1CCN(C(=O)CCOC[C@@H]2CCCO2)[C@@H](C[NH3+])C1 ZINC000563102177 354696912 /nfs/dbraw/zinc/69/69/12/354696912.db2.gz ZWPPCKZJFXYDCA-STQMWFEESA-N 2 2 285.388 -0.327 20 0 CBADLP C[N@H+]1CCN(C(=O)CCOC[C@@H]2CCCO2)[C@@H](C[NH3+])C1 ZINC000563102177 354696915 /nfs/dbraw/zinc/69/69/15/354696915.db2.gz ZWPPCKZJFXYDCA-STQMWFEESA-N 2 2 285.388 -0.327 20 0 CBADLP O=C(N1CCN(Cc2[nH]cc[nH+]2)CC1)[C@]12C[C@H]1CC[NH2+]2 ZINC000563213034 354702739 /nfs/dbraw/zinc/70/27/39/354702739.db2.gz LHLNELKNAIZPTN-RISCZKNCSA-N 2 2 275.356 -0.194 20 0 CBADLP C[C@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC[N@@H+]1CCO ZINC000563204837 354702812 /nfs/dbraw/zinc/70/28/12/354702812.db2.gz WQKCFNXTTKULFF-STQMWFEESA-N 2 2 292.383 -0.030 20 0 CBADLP C[C@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC[N@H+]1CCO ZINC000563204837 354702814 /nfs/dbraw/zinc/70/28/14/354702814.db2.gz WQKCFNXTTKULFF-STQMWFEESA-N 2 2 292.383 -0.030 20 0 CBADLP Cc1c(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cnn1C ZINC000563430407 354704431 /nfs/dbraw/zinc/70/44/31/354704431.db2.gz AZSDLXBHOHLDID-VXGBXAGGSA-N 2 2 263.345 -0.528 20 0 CBADLP Cc1c(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cnn1C ZINC000563430407 354704437 /nfs/dbraw/zinc/70/44/37/354704437.db2.gz AZSDLXBHOHLDID-VXGBXAGGSA-N 2 2 263.345 -0.528 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)CC[NH2+]C2CC2)CC1 ZINC000565215664 354732709 /nfs/dbraw/zinc/73/27/09/354732709.db2.gz MLELBXJQADEWDX-UHFFFAOYSA-N 2 2 282.388 -0.591 20 0 CBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)[NH2+]C)CC1 ZINC000565218599 354732729 /nfs/dbraw/zinc/73/27/29/354732729.db2.gz ZGKSVCUCMIWSGB-ZDUSSCGKSA-N 2 2 298.431 -0.003 20 0 CBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@H](C)[NH2+]C)CC1 ZINC000565218599 354732734 /nfs/dbraw/zinc/73/27/34/354732734.db2.gz ZGKSVCUCMIWSGB-ZDUSSCGKSA-N 2 2 298.431 -0.003 20 0 CBADLP COC[C@H]1CCN(C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])C1 ZINC000563888705 354706820 /nfs/dbraw/zinc/70/68/20/354706820.db2.gz CNWRVJDXTUBDSG-NWDGAFQWSA-N 2 2 270.377 -0.351 20 0 CBADLP COC[C@H]1CCN(C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])C1 ZINC000563888705 354706822 /nfs/dbraw/zinc/70/68/22/354706822.db2.gz CNWRVJDXTUBDSG-NWDGAFQWSA-N 2 2 270.377 -0.351 20 0 CBADLP C[C@H](CNC(=O)[C@H]1C[C@@H]([NH3+])C1)[NH+]1CCN(C)CC1 ZINC000563887868 354707015 /nfs/dbraw/zinc/70/70/15/354707015.db2.gz DBRJGTZKWRALLR-UTUOFQBUSA-N 2 2 254.378 -0.524 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1C[C@@H]([NH3+])C1)[NH+]1CCN(C)CC1 ZINC000563887867 354707285 /nfs/dbraw/zinc/70/72/85/354707285.db2.gz DBRJGTZKWRALLR-SDDRHHMPSA-N 2 2 254.378 -0.524 20 0 CBADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]C[C@H](O)CO)c2cc1C ZINC000564101461 354711242 /nfs/dbraw/zinc/71/12/42/354711242.db2.gz ICSAHPBOKFPRMV-STQMWFEESA-N 2 2 293.367 -0.043 20 0 CBADLP CC(C)NC(=O)CCCC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000564944278 354721708 /nfs/dbraw/zinc/72/17/08/354721708.db2.gz KNBWOSAFWXHAJJ-GFCCVEGCSA-N 2 2 284.404 -0.217 20 0 CBADLP CC(C)NC(=O)CCCC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000564944278 354721712 /nfs/dbraw/zinc/72/17/12/354721712.db2.gz KNBWOSAFWXHAJJ-GFCCVEGCSA-N 2 2 284.404 -0.217 20 0 CBADLP C[NH2+]C[C@@H]1CCCN1C(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000564944039 354722312 /nfs/dbraw/zinc/72/23/12/354722312.db2.gz GSPYMSJEDCZDQU-LBPRGKRZSA-N 2 2 284.404 -0.347 20 0 CBADLP C[NH2+]C[C@@H]1CCCN1C(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000564944039 354722314 /nfs/dbraw/zinc/72/23/14/354722314.db2.gz GSPYMSJEDCZDQU-LBPRGKRZSA-N 2 2 284.404 -0.347 20 0 CBADLP NC(=O)NC(=O)CC[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000564975853 354723501 /nfs/dbraw/zinc/72/35/01/354723501.db2.gz NKZCXZIVDPDHKL-SNVBAGLBSA-N 2 2 272.349 -0.992 20 0 CBADLP NC(=O)NC(=O)CC[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000564975853 354723504 /nfs/dbraw/zinc/72/35/04/354723504.db2.gz NKZCXZIVDPDHKL-SNVBAGLBSA-N 2 2 272.349 -0.992 20 0 CBADLP C[C@@H](C[NH2+]C[C@H](O)C[NH+]1CCCC1)S(C)(=O)=O ZINC000564974184 354723777 /nfs/dbraw/zinc/72/37/77/354723777.db2.gz CQBZHGKPORSCTM-QWRGUYRKSA-N 2 2 264.391 -0.534 20 0 CBADLP CCCNC(=O)CCC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000564988011 354724629 /nfs/dbraw/zinc/72/46/29/354724629.db2.gz QJISSRJBPOWCPX-NSHDSACASA-N 2 2 270.377 -0.606 20 0 CBADLP CCCNC(=O)CCC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000564988011 354724635 /nfs/dbraw/zinc/72/46/35/354724635.db2.gz QJISSRJBPOWCPX-NSHDSACASA-N 2 2 270.377 -0.606 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)[C@H]2CSC[NH2+]2)CCO1 ZINC000565028360 354725697 /nfs/dbraw/zinc/72/56/97/354725697.db2.gz FTGORTBVKDFMLI-VHSXEESVSA-N 2 2 259.375 -0.514 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)[C@H]2CSC[NH2+]2)CCO1 ZINC000565028360 354725698 /nfs/dbraw/zinc/72/56/98/354725698.db2.gz FTGORTBVKDFMLI-VHSXEESVSA-N 2 2 259.375 -0.514 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N2CCN(c3[nH]cc[nH+]3)CC2)C1 ZINC000547734124 354667129 /nfs/dbraw/zinc/66/71/29/354667129.db2.gz AAHUITDZTOXEFF-NSHDSACASA-N 2 2 279.344 -0.611 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N2CCN(c3[nH]cc[nH+]3)CC2)C1 ZINC000547734124 354667131 /nfs/dbraw/zinc/66/71/31/354667131.db2.gz AAHUITDZTOXEFF-NSHDSACASA-N 2 2 279.344 -0.611 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)[C@@]1(CO)CCOC1 ZINC000565157717 354729796 /nfs/dbraw/zinc/72/97/96/354729796.db2.gz OVEYBJWWEUBPFS-QWHCGFSZSA-N 2 2 276.377 -0.991 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)[C@@]1(CO)CCOC1 ZINC000565157717 354729798 /nfs/dbraw/zinc/72/97/98/354729798.db2.gz OVEYBJWWEUBPFS-QWHCGFSZSA-N 2 2 276.377 -0.991 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)[C@@]1(CO)CCOC1 ZINC000565157717 354729801 /nfs/dbraw/zinc/72/98/01/354729801.db2.gz OVEYBJWWEUBPFS-QWHCGFSZSA-N 2 2 276.377 -0.991 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)[C@@]1(CO)CCOC1 ZINC000565157717 354729804 /nfs/dbraw/zinc/72/98/04/354729804.db2.gz OVEYBJWWEUBPFS-QWHCGFSZSA-N 2 2 276.377 -0.991 20 0 CBADLP COC(=O)C[C@H]([NH3+])C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000565830246 354746553 /nfs/dbraw/zinc/74/65/53/354746553.db2.gz AJABQPQXXOGVLU-JTQLQIEISA-N 2 2 287.360 -0.896 20 0 CBADLP COC(=O)C[C@H]([NH3+])C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000565830246 354746555 /nfs/dbraw/zinc/74/65/55/354746555.db2.gz AJABQPQXXOGVLU-JTQLQIEISA-N 2 2 287.360 -0.896 20 0 CBADLP Cn1ncc2c1C[C@H](C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])CC2 ZINC000565891585 354747900 /nfs/dbraw/zinc/74/79/00/354747900.db2.gz SGCNNWVNDFHVPH-DGCLKSJQSA-N 2 2 291.399 -0.374 20 0 CBADLP NC(=O)[C@H](c1ccccc1)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000565904818 354749022 /nfs/dbraw/zinc/74/90/22/354749022.db2.gz SPYZEZORNZGVOR-XQQFMLRXSA-N 2 2 288.351 -0.543 20 0 CBADLP NC(=O)[C@H](c1ccccc1)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000565904818 354749026 /nfs/dbraw/zinc/74/90/26/354749026.db2.gz SPYZEZORNZGVOR-XQQFMLRXSA-N 2 2 288.351 -0.543 20 0 CBADLP COC(=O)C[C@H]([NH3+])C(=O)N1CC[NH+](C2CC2)CC1 ZINC000566169726 354754493 /nfs/dbraw/zinc/75/44/93/354754493.db2.gz RXLAVHKTVVDJRY-JTQLQIEISA-N 2 2 255.318 -0.817 20 0 CBADLP CCC(=O)N[C@@H]1CCC[N@H+](C[C@@](C)(O)C[NH2+]C)C1 ZINC000566351330 354764343 /nfs/dbraw/zinc/76/43/43/354764343.db2.gz FXXMPRHUMLBDRD-YPMHNXCESA-N 2 2 257.378 -0.053 20 0 CBADLP CCC(=O)N[C@@H]1CCC[N@@H+](C[C@@](C)(O)C[NH2+]C)C1 ZINC000566351330 354764344 /nfs/dbraw/zinc/76/43/44/354764344.db2.gz FXXMPRHUMLBDRD-YPMHNXCESA-N 2 2 257.378 -0.053 20 0 CBADLP C[C@H]1CC[N@H+](CC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C1 ZINC000566441713 354766594 /nfs/dbraw/zinc/76/65/94/354766594.db2.gz JQQDJEYJQMUUNY-KBPBESRZSA-N 2 2 299.415 -0.520 20 0 CBADLP C[C@H]1CC[N@@H+](CC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C1 ZINC000566441713 354766597 /nfs/dbraw/zinc/76/65/97/354766597.db2.gz JQQDJEYJQMUUNY-KBPBESRZSA-N 2 2 299.415 -0.520 20 0 CBADLP COc1c(N)[nH+]cnc1N1CC[NH+](C[C@H](C)O)CC1 ZINC000566481549 354769139 /nfs/dbraw/zinc/76/91/39/354769139.db2.gz FQOZIESJBUFONH-VIFPVBQESA-N 2 2 267.333 -0.430 20 0 CBADLP C[NH+]1CCN(C(=O)CC[NH2+]CC2([NH3+])CCC2)CC1 ZINC000566678696 354772961 /nfs/dbraw/zinc/77/29/61/354772961.db2.gz KDXLGKGXBRSAGT-UHFFFAOYSA-N 3 2 254.378 -0.379 20 0 CBADLP CC[C@H](C)[N@H+](C)CCNC[C@@H](O)CN1CC[NH+](C)CC1 ZINC000567262423 354784000 /nfs/dbraw/zinc/78/40/00/354784000.db2.gz OAOXPKWFCHJEGB-LSDHHAIUSA-N 2 2 286.464 -0.085 20 0 CBADLP CC[C@H](C)[N@@H+](C)CCNC[C@@H](O)CN1CC[NH+](C)CC1 ZINC000567262423 354784004 /nfs/dbraw/zinc/78/40/04/354784004.db2.gz OAOXPKWFCHJEGB-LSDHHAIUSA-N 2 2 286.464 -0.085 20 0 CBADLP CCN1C[C@H]([NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)CC1=O ZINC000567640479 354792349 /nfs/dbraw/zinc/79/23/49/354792349.db2.gz MHFSNCRCOIQSLF-BZPMIXESSA-N 2 2 267.373 -0.036 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)CCO1 ZINC000565424009 354738019 /nfs/dbraw/zinc/73/80/19/354738019.db2.gz VFYXSXVSSXWLTQ-TUAOUCFPSA-N 2 2 271.361 -0.670 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)CCO1 ZINC000565424009 354738022 /nfs/dbraw/zinc/73/80/22/354738022.db2.gz VFYXSXVSSXWLTQ-TUAOUCFPSA-N 2 2 271.361 -0.670 20 0 CBADLP Cc1nc(N2CCN(C(=O)[C@H]3C[C@H](O)C[NH2+]3)CC2)cc[nH+]1 ZINC000565421420 354738177 /nfs/dbraw/zinc/73/81/77/354738177.db2.gz CFAOZVYSRVPDPY-NWDGAFQWSA-N 2 2 291.355 -0.844 20 0 CBADLP CC(C)[NH2+]CCCNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000565471034 354739003 /nfs/dbraw/zinc/73/90/03/354739003.db2.gz JBKUQURKGFSBLH-GFCCVEGCSA-N 3 2 271.409 -0.341 20 0 CBADLP CC(C)[NH2+]CCCNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000565471034 354739004 /nfs/dbraw/zinc/73/90/04/354739004.db2.gz JBKUQURKGFSBLH-GFCCVEGCSA-N 3 2 271.409 -0.341 20 0 CBADLP CC(C)[NH+]1CCC(NC(=O)C[NH+]2CC(C)(C(N)=O)C2)CC1 ZINC000565536751 354740577 /nfs/dbraw/zinc/74/05/77/354740577.db2.gz DFHXYVXHMVDHLM-UHFFFAOYSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@@H](NC(=O)C1CCCC1)C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000565537191 354740589 /nfs/dbraw/zinc/74/05/89/354740589.db2.gz LMYOPLVJGNAMSC-YPMHNXCESA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@@H](NC(=O)C1CCCC1)C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000565537191 354740591 /nfs/dbraw/zinc/74/05/91/354740591.db2.gz LMYOPLVJGNAMSC-YPMHNXCESA-N 2 2 296.415 -0.217 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)CC1 ZINC000565619528 354742177 /nfs/dbraw/zinc/74/21/77/354742177.db2.gz HQOQIAXOUAQROA-IHRRRGAJSA-N 2 2 299.415 -0.786 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H](CO)[C@@H](O)C2)CC1 ZINC000565619528 354742179 /nfs/dbraw/zinc/74/21/79/354742179.db2.gz HQOQIAXOUAQROA-IHRRRGAJSA-N 2 2 299.415 -0.786 20 0 CBADLP Cn1cc[nH+]c1CN1CCN(C(=O)CC[NH3+])CC1 ZINC000567585806 354790331 /nfs/dbraw/zinc/79/03/31/354790331.db2.gz WIKFXWDYXKVDCA-UHFFFAOYSA-N 2 2 251.334 -0.587 20 0 CBADLP CO[C@@H]1C[NH2+][C@@H](C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000567826920 354800032 /nfs/dbraw/zinc/80/00/32/354800032.db2.gz WKNCNOPFYLKZGU-RFQIPJPRSA-N 2 2 299.415 -0.069 20 0 CBADLP CO[C@@H]1C[NH2+][C@@H](C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000567826920 354800033 /nfs/dbraw/zinc/80/00/33/354800033.db2.gz WKNCNOPFYLKZGU-RFQIPJPRSA-N 2 2 299.415 -0.069 20 0 CBADLP O=C([C@H]1CSC[NH2+]1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000567907118 354804124 /nfs/dbraw/zinc/80/41/24/354804124.db2.gz BZTUQZKMPZCYFN-WDEREUQCSA-N 2 2 298.412 -0.928 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1CS(N)(=O)=O ZINC000568163934 354812382 /nfs/dbraw/zinc/81/23/82/354812382.db2.gz FBINRHAHPHSNDQ-MNOVXSKESA-N 2 2 279.406 -0.948 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1CS(N)(=O)=O ZINC000568163934 354812383 /nfs/dbraw/zinc/81/23/83/354812383.db2.gz FBINRHAHPHSNDQ-MNOVXSKESA-N 2 2 279.406 -0.948 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000568163934 354812385 /nfs/dbraw/zinc/81/23/85/354812385.db2.gz FBINRHAHPHSNDQ-MNOVXSKESA-N 2 2 279.406 -0.948 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000568163934 354812386 /nfs/dbraw/zinc/81/23/86/354812386.db2.gz FBINRHAHPHSNDQ-MNOVXSKESA-N 2 2 279.406 -0.948 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@](O)(C(F)F)C1 ZINC000568175892 354813375 /nfs/dbraw/zinc/81/33/75/354813375.db2.gz KSKYAFJVOIFFQX-PWSUYJOCSA-N 2 2 282.331 -0.373 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@](O)(C(F)F)C1 ZINC000568175892 354813378 /nfs/dbraw/zinc/81/33/78/354813378.db2.gz KSKYAFJVOIFFQX-PWSUYJOCSA-N 2 2 282.331 -0.373 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000568175892 354813380 /nfs/dbraw/zinc/81/33/80/354813380.db2.gz KSKYAFJVOIFFQX-PWSUYJOCSA-N 2 2 282.331 -0.373 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC000568175892 354813382 /nfs/dbraw/zinc/81/33/82/354813382.db2.gz KSKYAFJVOIFFQX-PWSUYJOCSA-N 2 2 282.331 -0.373 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@](O)(C(F)F)C1 ZINC000568175890 354813414 /nfs/dbraw/zinc/81/34/14/354813414.db2.gz KSKYAFJVOIFFQX-CMPLNLGQSA-N 2 2 282.331 -0.373 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@](O)(C(F)F)C1 ZINC000568175890 354813415 /nfs/dbraw/zinc/81/34/15/354813415.db2.gz KSKYAFJVOIFFQX-CMPLNLGQSA-N 2 2 282.331 -0.373 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000568175890 354813417 /nfs/dbraw/zinc/81/34/17/354813417.db2.gz KSKYAFJVOIFFQX-CMPLNLGQSA-N 2 2 282.331 -0.373 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@](O)(C(F)F)C1 ZINC000568175890 354813419 /nfs/dbraw/zinc/81/34/19/354813419.db2.gz KSKYAFJVOIFFQX-CMPLNLGQSA-N 2 2 282.331 -0.373 20 0 CBADLP CC(=O)[C@@](C)(O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000568167964 354813455 /nfs/dbraw/zinc/81/34/55/354813455.db2.gz UBCLUJXXNNVLAJ-LBPRGKRZSA-N 2 2 252.318 -0.128 20 0 CBADLP CCCCCNC(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000568268299 354819366 /nfs/dbraw/zinc/81/93/66/354819366.db2.gz UTNDWLKTXVWARF-NWDGAFQWSA-N 2 2 282.388 -0.463 20 0 CBADLP CCCCCNC(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000568268299 354819370 /nfs/dbraw/zinc/81/93/70/354819370.db2.gz UTNDWLKTXVWARF-NWDGAFQWSA-N 2 2 282.388 -0.463 20 0 CBADLP [NH3+][C@@H]1C[C@H]2C[N@H+](CCn3ccc([N+](=O)[O-])n3)CCN2C1=O ZINC000568268443 354819535 /nfs/dbraw/zinc/81/95/35/354819535.db2.gz XIZKRPSDPQFJDA-VHSXEESVSA-N 2 2 294.315 -0.965 20 0 CBADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](CCn3ccc([N+](=O)[O-])n3)CCN2C1=O ZINC000568268443 354819536 /nfs/dbraw/zinc/81/95/36/354819536.db2.gz XIZKRPSDPQFJDA-VHSXEESVSA-N 2 2 294.315 -0.965 20 0 CBADLP CO[C@H](C)[C@@H](C)NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000567716205 354794315 /nfs/dbraw/zinc/79/43/15/354794315.db2.gz WIHLSTWFAFFEOV-MXWKQRLJSA-N 2 2 258.366 -0.306 20 0 CBADLP CO[C@H](C)[C@@H](C)NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000567716205 354794319 /nfs/dbraw/zinc/79/43/19/354794319.db2.gz WIHLSTWFAFFEOV-MXWKQRLJSA-N 2 2 258.366 -0.306 20 0 CBADLP C[C@@H]1COCC[C@@H]1CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000570666435 354866968 /nfs/dbraw/zinc/86/69/68/354866968.db2.gz UCGMTUABHJPOJW-UPJWGTAASA-N 2 2 284.404 -0.057 20 0 CBADLP C[C@@H]1COCC[C@@H]1CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000570666435 354866970 /nfs/dbraw/zinc/86/69/70/354866970.db2.gz UCGMTUABHJPOJW-UPJWGTAASA-N 2 2 284.404 -0.057 20 0 CBADLP C[C@@H]1COCC[C@H]1CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000570666427 354867066 /nfs/dbraw/zinc/86/70/66/354867066.db2.gz UCGMTUABHJPOJW-AGIUHOORSA-N 2 2 284.404 -0.057 20 0 CBADLP C[C@@H]1COCC[C@H]1CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000570666427 354867069 /nfs/dbraw/zinc/86/70/69/354867069.db2.gz UCGMTUABHJPOJW-AGIUHOORSA-N 2 2 284.404 -0.057 20 0 CBADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+][C@@H]2CCC(=O)N[C@H]2C)C[C@H](C)O1 ZINC000570938139 354872995 /nfs/dbraw/zinc/87/29/95/354872995.db2.gz GURJFOSSDRIVSR-MEBFFEOJSA-N 2 2 299.415 -0.287 20 0 CBADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+][C@@H]2CCC(=O)N[C@H]2C)C[C@H](C)O1 ZINC000570938139 354872998 /nfs/dbraw/zinc/87/29/98/354872998.db2.gz GURJFOSSDRIVSR-MEBFFEOJSA-N 2 2 299.415 -0.287 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)CCc1cnccn1 ZINC000571653557 354877092 /nfs/dbraw/zinc/87/70/92/354877092.db2.gz JELDDPLHSXJDFH-CQSZACIVSA-N 2 2 282.388 -0.110 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)CCc1cnccn1 ZINC000571653557 354877095 /nfs/dbraw/zinc/87/70/95/354877095.db2.gz JELDDPLHSXJDFH-CQSZACIVSA-N 2 2 282.388 -0.110 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)CCc1cnccn1 ZINC000571653557 354877096 /nfs/dbraw/zinc/87/70/96/354877096.db2.gz JELDDPLHSXJDFH-CQSZACIVSA-N 2 2 282.388 -0.110 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)CCc1cnccn1 ZINC000571653557 354877097 /nfs/dbraw/zinc/87/70/97/354877097.db2.gz JELDDPLHSXJDFH-CQSZACIVSA-N 2 2 282.388 -0.110 20 0 CBADLP COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)CCC[NH3+])C1 ZINC000569241336 354840786 /nfs/dbraw/zinc/84/07/86/354840786.db2.gz WCGOHKMNVXRMRO-NSHDSACASA-N 2 2 271.361 -0.274 20 0 CBADLP COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)CCC[NH3+])C1 ZINC000569241336 354840789 /nfs/dbraw/zinc/84/07/89/354840789.db2.gz WCGOHKMNVXRMRO-NSHDSACASA-N 2 2 271.361 -0.274 20 0 CBADLP C[C@H]1C[C@@H]([NH2+]CCC(=O)NC(N)=O)C[N@@H+]1C1CC1 ZINC000569332596 354843244 /nfs/dbraw/zinc/84/32/44/354843244.db2.gz YJRWIPGGGHSWMI-DTWKUNHWSA-N 2 2 254.334 -0.214 20 0 CBADLP C[C@H]1C[C@@H]([NH2+]CCC(=O)NC(N)=O)C[N@H+]1C1CC1 ZINC000569332596 354843246 /nfs/dbraw/zinc/84/32/46/354843246.db2.gz YJRWIPGGGHSWMI-DTWKUNHWSA-N 2 2 254.334 -0.214 20 0 CBADLP COC(=O)C[C@H]([NH3+])C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000569924385 354849824 /nfs/dbraw/zinc/84/98/24/354849824.db2.gz WVORATKKHMQVEU-IUCAKERBSA-N 2 2 254.290 -0.722 20 0 CBADLP C[C@@H](C(=O)N1CC[NH2+][C@@H](C)C1)[NH+]1CCN(C)CC1 ZINC000570046306 354852449 /nfs/dbraw/zinc/85/24/49/354852449.db2.gz NXUHDNRMIKZZGZ-RYUDHWBXSA-N 2 2 254.378 -0.557 20 0 CBADLP CNC(=O)[C@@H](C)C[N@H+](C)C[C@@H](O)C[NH+](C)CCOC ZINC000570103700 354854524 /nfs/dbraw/zinc/85/45/24/354854524.db2.gz BKYNRIXMKXFRRI-RYUDHWBXSA-N 2 2 275.393 -0.761 20 0 CBADLP CNC(=O)[C@@H](C)C[N@@H+](C)C[C@@H](O)C[NH+](C)CCOC ZINC000570103700 354854525 /nfs/dbraw/zinc/85/45/25/354854525.db2.gz BKYNRIXMKXFRRI-RYUDHWBXSA-N 2 2 275.393 -0.761 20 0 CBADLP CNC(=O)[C@@H](C)C[NH+](C)C[C@@H](O)C[N@H+](C)CCOC ZINC000570103700 354854526 /nfs/dbraw/zinc/85/45/26/354854526.db2.gz BKYNRIXMKXFRRI-RYUDHWBXSA-N 2 2 275.393 -0.761 20 0 CBADLP CNC(=O)[C@@H](C)C[NH+](C)C[C@@H](O)C[N@@H+](C)CCOC ZINC000570103700 354854528 /nfs/dbraw/zinc/85/45/28/354854528.db2.gz BKYNRIXMKXFRRI-RYUDHWBXSA-N 2 2 275.393 -0.761 20 0 CBADLP CNC(=O)[C@H](C)C[N@H+](C)C[C@H](O)C[NH+](C)CCOC ZINC000570103701 354854839 /nfs/dbraw/zinc/85/48/39/354854839.db2.gz BKYNRIXMKXFRRI-VXGBXAGGSA-N 2 2 275.393 -0.761 20 0 CBADLP CNC(=O)[C@H](C)C[N@@H+](C)C[C@H](O)C[NH+](C)CCOC ZINC000570103701 354854843 /nfs/dbraw/zinc/85/48/43/354854843.db2.gz BKYNRIXMKXFRRI-VXGBXAGGSA-N 2 2 275.393 -0.761 20 0 CBADLP CNC(=O)[C@H](C)C[NH+](C)C[C@H](O)C[N@H+](C)CCOC ZINC000570103701 354854845 /nfs/dbraw/zinc/85/48/45/354854845.db2.gz BKYNRIXMKXFRRI-VXGBXAGGSA-N 2 2 275.393 -0.761 20 0 CBADLP CNC(=O)[C@H](C)C[NH+](C)C[C@H](O)C[N@@H+](C)CCOC ZINC000570103701 354854848 /nfs/dbraw/zinc/85/48/48/354854848.db2.gz BKYNRIXMKXFRRI-VXGBXAGGSA-N 2 2 275.393 -0.761 20 0 CBADLP [NH3+][C@@H]1C[C@H]2C[N@H+](CCOC[C@@H]3CCCO3)CCN2C1=O ZINC000570294479 354858468 /nfs/dbraw/zinc/85/84/68/354858468.db2.gz VAQAXUFXMNZNQW-RWMBFGLXSA-N 2 2 283.372 -0.574 20 0 CBADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](CCOC[C@@H]3CCCO3)CCN2C1=O ZINC000570294479 354858469 /nfs/dbraw/zinc/85/84/69/354858469.db2.gz VAQAXUFXMNZNQW-RWMBFGLXSA-N 2 2 283.372 -0.574 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@H]2CCCCC[NH2+]2)CC1 ZINC000571764272 354879863 /nfs/dbraw/zinc/87/98/63/354879863.db2.gz TYSVDCMEERBXIT-CQSZACIVSA-N 2 2 296.415 -0.201 20 0 CBADLP C[N@@H+]1CCN(C(=O)Cc2ccc(N)cn2)[C@H](C[NH3+])C1 ZINC000571760737 354879122 /nfs/dbraw/zinc/87/91/22/354879122.db2.gz OILIGBMDDSJGNS-GFCCVEGCSA-N 2 2 263.345 -0.692 20 0 CBADLP C[N@H+]1CCN(C(=O)Cc2ccc(N)cn2)[C@H](C[NH3+])C1 ZINC000571760737 354879125 /nfs/dbraw/zinc/87/91/25/354879125.db2.gz OILIGBMDDSJGNS-GFCCVEGCSA-N 2 2 263.345 -0.692 20 0 CBADLP C[N@@H+]1CCN(C(=O)CC[C@H]2CC[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000570568704 354864794 /nfs/dbraw/zinc/86/47/94/354864794.db2.gz DWTTZWXEWQXIGO-RYUDHWBXSA-N 3 2 254.378 -0.523 20 0 CBADLP C[N@H+]1CCN(C(=O)CC[C@H]2CC[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000570568704 354864795 /nfs/dbraw/zinc/86/47/95/354864795.db2.gz DWTTZWXEWQXIGO-RYUDHWBXSA-N 3 2 254.378 -0.523 20 0 CBADLP C[C@H](C(=O)NC[C@](C)(O)C[NH+]1CCOCC1)[NH+]1CC(C)C1 ZINC000570581033 354864988 /nfs/dbraw/zinc/86/49/88/354864988.db2.gz BVKLHPPMGOSLOD-HIFRSBDPSA-N 2 2 299.415 -0.474 20 0 CBADLP C[C@@H](NC(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2)C(=O)N(C)C ZINC000570570947 354865239 /nfs/dbraw/zinc/86/52/39/354865239.db2.gz VIEZMDSMYOFKDI-DOMZBBRYSA-N 2 2 296.415 -0.345 20 0 CBADLP C[C@@H](NC(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)C(=O)N(C)C ZINC000570570947 354865242 /nfs/dbraw/zinc/86/52/42/354865242.db2.gz VIEZMDSMYOFKDI-DOMZBBRYSA-N 2 2 296.415 -0.345 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000571762787 354879259 /nfs/dbraw/zinc/87/92/59/354879259.db2.gz MKADSGUPPLFQNW-WDEREUQCSA-N 2 2 268.361 -0.854 20 0 CBADLP CC[C@H](C(N)=O)[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000571762787 354879261 /nfs/dbraw/zinc/87/92/61/354879261.db2.gz MKADSGUPPLFQNW-WDEREUQCSA-N 2 2 268.361 -0.854 20 0 CBADLP [NH3+][C@@H]1C[C@H]2C[N@H+](CCN3C[C@H]4CC[C@@H](C3)O4)CCN2C1=O ZINC000571938291 354884492 /nfs/dbraw/zinc/88/44/92/354884492.db2.gz ABRPJDFAQBCMLD-IGQOVBAYSA-N 2 2 294.399 -0.907 20 0 CBADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](CCN3C[C@H]4CC[C@@H](C3)O4)CCN2C1=O ZINC000571938291 354884493 /nfs/dbraw/zinc/88/44/93/354884493.db2.gz ABRPJDFAQBCMLD-IGQOVBAYSA-N 2 2 294.399 -0.907 20 0 CBADLP O=C(NCc1cn2ccccc2[nH+]1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000572060967 354886453 /nfs/dbraw/zinc/88/64/53/354886453.db2.gz WQXKUNOGXMMNSH-JTQLQIEISA-N 2 2 287.323 -0.571 20 0 CBADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCOC2(CCOCC2)C1 ZINC000572126335 354887168 /nfs/dbraw/zinc/88/71/68/354887168.db2.gz ALSJKROJUXBGSE-GFCCVEGCSA-N 2 2 258.362 -0.162 20 0 CBADLP C[NH2+]C[C@@](C)(O)C[N@H+]1CCOC2(CCOCC2)C1 ZINC000572126335 354887170 /nfs/dbraw/zinc/88/71/70/354887170.db2.gz ALSJKROJUXBGSE-GFCCVEGCSA-N 2 2 258.362 -0.162 20 0 CBADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CCOC2(CCOCC2)C1 ZINC000572126336 354887418 /nfs/dbraw/zinc/88/74/18/354887418.db2.gz ALSJKROJUXBGSE-LBPRGKRZSA-N 2 2 258.362 -0.162 20 0 CBADLP C[NH2+]C[C@](C)(O)C[N@H+]1CCOC2(CCOCC2)C1 ZINC000572126336 354887419 /nfs/dbraw/zinc/88/74/19/354887419.db2.gz ALSJKROJUXBGSE-LBPRGKRZSA-N 2 2 258.362 -0.162 20 0 CBADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000572347026 354891623 /nfs/dbraw/zinc/89/16/23/354891623.db2.gz PJZQAOBAAWISGX-SRVKXCTJSA-N 3 2 254.378 -0.524 20 0 CBADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000572347026 354891624 /nfs/dbraw/zinc/89/16/24/354891624.db2.gz PJZQAOBAAWISGX-SRVKXCTJSA-N 3 2 254.378 -0.524 20 0 CBADLP CC[C@@H]1C[N@H+](C)CCN1C[C@H](O)C[NH+]1CCOCC1 ZINC000572633949 354894017 /nfs/dbraw/zinc/89/40/17/354894017.db2.gz ULERLBIJZXFSFM-ZIAGYGMSSA-N 2 2 271.405 -0.295 20 0 CBADLP CC[C@@H]1C[N@@H+](C)CCN1C[C@H](O)C[NH+]1CCOCC1 ZINC000572633949 354894020 /nfs/dbraw/zinc/89/40/20/354894020.db2.gz ULERLBIJZXFSFM-ZIAGYGMSSA-N 2 2 271.405 -0.295 20 0 CBADLP COC[C@H](O)CC[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000572960486 354902121 /nfs/dbraw/zinc/90/21/21/354902121.db2.gz BCQDCFDHTYVRDE-XJFOESAGSA-N 2 2 290.404 -0.557 20 0 CBADLP COC[C@H](O)CC[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000572960486 354902122 /nfs/dbraw/zinc/90/21/22/354902122.db2.gz BCQDCFDHTYVRDE-XJFOESAGSA-N 2 2 290.404 -0.557 20 0 CBADLP CCn1nccc1C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000573626125 354917734 /nfs/dbraw/zinc/91/77/34/354917734.db2.gz WVYFRMIIKWVSEQ-NWDGAFQWSA-N 2 2 263.345 -0.353 20 0 CBADLP CCn1nccc1C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000573626125 354917740 /nfs/dbraw/zinc/91/77/40/354917740.db2.gz WVYFRMIIKWVSEQ-NWDGAFQWSA-N 2 2 263.345 -0.353 20 0 CBADLP COC(=O)c1cc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c[nH]1 ZINC000573266585 354909367 /nfs/dbraw/zinc/90/93/67/354909367.db2.gz GFSZTEBAVYIKLK-WDEREUQCSA-N 2 2 292.339 -0.455 20 0 CBADLP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000573576024 354916243 /nfs/dbraw/zinc/91/62/43/354916243.db2.gz KFINDTXQWWZUPL-LLVKDONJSA-N 2 2 286.401 -0.024 20 0 CBADLP Cn1c[nH+]cc1CCC[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000573576024 354916247 /nfs/dbraw/zinc/91/62/47/354916247.db2.gz KFINDTXQWWZUPL-LLVKDONJSA-N 2 2 286.401 -0.024 20 0 CBADLP C[C@H]([NH3+])C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000571801972 354881619 /nfs/dbraw/zinc/88/16/19/354881619.db2.gz BEAVUMFLDQGBOD-XQQFMLRXSA-N 3 2 268.405 -0.086 20 0 CBADLP C[C@H]([NH3+])C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000571801972 354881623 /nfs/dbraw/zinc/88/16/23/354881623.db2.gz BEAVUMFLDQGBOD-XQQFMLRXSA-N 3 2 268.405 -0.086 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@H]([NH3+])C2CCC2)CC1 ZINC000573719371 354919875 /nfs/dbraw/zinc/91/98/75/354919875.db2.gz KKDDYDXTPXVBFP-CYBMUJFWSA-N 2 2 282.388 -0.606 20 0 CBADLP Cn1cc[nH+]c1CN1CCN(C(=O)[C@@H]2CSC[NH2+]2)CC1 ZINC000574040810 354927482 /nfs/dbraw/zinc/92/74/82/354927482.db2.gz AVCGLIFCGDDHQI-NSHDSACASA-N 2 2 295.412 -0.273 20 0 CBADLP C[N@@H+]1CCN(Cc2cc(C(N)=O)cs2)[C@@H](C[NH3+])C1 ZINC000574917249 354931517 /nfs/dbraw/zinc/93/15/17/354931517.db2.gz YWTXOINVYQRLJH-JTQLQIEISA-N 2 2 268.386 -0.078 20 0 CBADLP C[N@H+]1CCN(Cc2cc(C(N)=O)cs2)[C@@H](C[NH3+])C1 ZINC000574917249 354931520 /nfs/dbraw/zinc/93/15/20/354931520.db2.gz YWTXOINVYQRLJH-JTQLQIEISA-N 2 2 268.386 -0.078 20 0 CBADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CCCOCCO)C[C@H](C)O1 ZINC000578237495 354942348 /nfs/dbraw/zinc/94/23/48/354942348.db2.gz OPPSNEPNEYTXTH-MJBXVCDLSA-N 2 2 290.404 -0.555 20 0 CBADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CCCOCCO)C[C@H](C)O1 ZINC000578237495 354942349 /nfs/dbraw/zinc/94/23/49/354942349.db2.gz OPPSNEPNEYTXTH-MJBXVCDLSA-N 2 2 290.404 -0.555 20 0 CBADLP C[N@@H+]1CCN(C(=O)NCCOCC(F)F)[C@H](C[NH3+])C1 ZINC000578505587 354947888 /nfs/dbraw/zinc/94/78/88/354947888.db2.gz RMYBJNIIBKAFAK-SECBINFHSA-N 2 2 280.319 -0.448 20 0 CBADLP C[N@H+]1CCN(C(=O)NCCOCC(F)F)[C@H](C[NH3+])C1 ZINC000578505587 354947893 /nfs/dbraw/zinc/94/78/93/354947893.db2.gz RMYBJNIIBKAFAK-SECBINFHSA-N 2 2 280.319 -0.448 20 0 CBADLP COC(=O)CCNC(=O)C[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000578508086 354947947 /nfs/dbraw/zinc/94/79/47/354947947.db2.gz RPXPVGUKYUQOCV-GFCCVEGCSA-N 2 2 257.334 -0.617 20 0 CBADLP C[N@@H+]1CCN(C(=O)NCCOCC(F)F)[C@@H](C[NH3+])C1 ZINC000578505588 354947985 /nfs/dbraw/zinc/94/79/85/354947985.db2.gz RMYBJNIIBKAFAK-VIFPVBQESA-N 2 2 280.319 -0.448 20 0 CBADLP C[N@H+]1CCN(C(=O)NCCOCC(F)F)[C@@H](C[NH3+])C1 ZINC000578505588 354947986 /nfs/dbraw/zinc/94/79/86/354947986.db2.gz RMYBJNIIBKAFAK-VIFPVBQESA-N 2 2 280.319 -0.448 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000578648906 354951536 /nfs/dbraw/zinc/95/15/36/354951536.db2.gz RXVRYIHDCVDBBL-CYBMUJFWSA-N 2 2 298.431 -0.051 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000578648906 354951539 /nfs/dbraw/zinc/95/15/39/354951539.db2.gz RXVRYIHDCVDBBL-CYBMUJFWSA-N 2 2 298.431 -0.051 20 0 CBADLP CO[C@@H]1C[NH2+][C@@H](C(=O)NCC[N@@H+]2CCO[C@H](C)C2)C1 ZINC000578655052 354951602 /nfs/dbraw/zinc/95/16/02/354951602.db2.gz QWFNGPVWHTYDPX-GRYCIOLGSA-N 2 2 271.361 -0.800 20 0 CBADLP CO[C@@H]1C[NH2+][C@@H](C(=O)NCC[N@H+]2CCO[C@H](C)C2)C1 ZINC000578655052 354951603 /nfs/dbraw/zinc/95/16/03/354951603.db2.gz QWFNGPVWHTYDPX-GRYCIOLGSA-N 2 2 271.361 -0.800 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000578659122 354951726 /nfs/dbraw/zinc/95/17/26/354951726.db2.gz DFJUCOWYTVGHPI-MGPQQGTHSA-N 2 2 269.389 -0.230 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000578648907 354952039 /nfs/dbraw/zinc/95/20/39/354952039.db2.gz RXVRYIHDCVDBBL-ZDUSSCGKSA-N 2 2 298.431 -0.051 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000578648907 354952043 /nfs/dbraw/zinc/95/20/43/354952043.db2.gz RXVRYIHDCVDBBL-ZDUSSCGKSA-N 2 2 298.431 -0.051 20 0 CBADLP CCC[NH2+]CCNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000579212155 354963945 /nfs/dbraw/zinc/96/39/45/354963945.db2.gz CSAIOHFSAJPLLG-NSHDSACASA-N 3 2 257.382 -0.730 20 0 CBADLP CCC[NH2+]CCNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000579212155 354963948 /nfs/dbraw/zinc/96/39/48/354963948.db2.gz CSAIOHFSAJPLLG-NSHDSACASA-N 3 2 257.382 -0.730 20 0 CBADLP C[N@@H+]1CCN(C(=O)N[C@H]2COCC2(C)C)[C@@H](C[NH3+])C1 ZINC000579212145 354964378 /nfs/dbraw/zinc/96/43/78/354964378.db2.gz BUBXOAZZXHFDLE-QWRGUYRKSA-N 2 2 270.377 -0.304 20 0 CBADLP C[N@H+]1CCN(C(=O)N[C@H]2COCC2(C)C)[C@@H](C[NH3+])C1 ZINC000579212145 354964379 /nfs/dbraw/zinc/96/43/79/354964379.db2.gz BUBXOAZZXHFDLE-QWRGUYRKSA-N 2 2 270.377 -0.304 20 0 CBADLP C[N@@H+]1CCN(C(=O)NCC[C@H]2CCC[NH2+]2)[C@H](C[NH3+])C1 ZINC000579333388 354967439 /nfs/dbraw/zinc/96/74/39/354967439.db2.gz BGLDKHNWJQRTMX-VXGBXAGGSA-N 3 2 269.393 -0.587 20 0 CBADLP C[N@H+]1CCN(C(=O)NCC[C@H]2CCC[NH2+]2)[C@H](C[NH3+])C1 ZINC000579333388 354967441 /nfs/dbraw/zinc/96/74/41/354967441.db2.gz BGLDKHNWJQRTMX-VXGBXAGGSA-N 3 2 269.393 -0.587 20 0 CBADLP CS(=O)(=O)NCC[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000580952040 355002663 /nfs/dbraw/zinc/00/26/63/355002663.db2.gz CQZTZBHSEHLPOW-NSHDSACASA-N 2 2 261.391 -0.389 20 0 CBADLP CS(=O)(=O)NCC[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000580952040 355002666 /nfs/dbraw/zinc/00/26/66/355002666.db2.gz CQZTZBHSEHLPOW-NSHDSACASA-N 2 2 261.391 -0.389 20 0 CBADLP COC(=O)[C@H]1CN(C(=O)[C@H](C)[NH+]2CC(C)C2)CC[N@H+](C)C1 ZINC000579373019 354968932 /nfs/dbraw/zinc/96/89/32/354968932.db2.gz NWISGTYMIXYWHY-QWHCGFSZSA-N 2 2 297.399 -0.110 20 0 CBADLP COC(=O)[C@H]1CN(C(=O)[C@H](C)[NH+]2CC(C)C2)CC[N@@H+](C)C1 ZINC000579373019 354968936 /nfs/dbraw/zinc/96/89/36/354968936.db2.gz NWISGTYMIXYWHY-QWHCGFSZSA-N 2 2 297.399 -0.110 20 0 CBADLP COC(=O)CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000579370549 354969196 /nfs/dbraw/zinc/96/91/96/354969196.db2.gz LQVCYFSWWIFOPM-WDEREUQCSA-N 2 2 294.355 -0.113 20 0 CBADLP COC(=O)CNC(=O)[C@H](C)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000579370549 354969198 /nfs/dbraw/zinc/96/91/98/354969198.db2.gz LQVCYFSWWIFOPM-WDEREUQCSA-N 2 2 294.355 -0.113 20 0 CBADLP CS(=O)(=O)NCC[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000580952039 355002803 /nfs/dbraw/zinc/00/28/03/355002803.db2.gz CQZTZBHSEHLPOW-LLVKDONJSA-N 2 2 261.391 -0.389 20 0 CBADLP CS(=O)(=O)NCC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000580952039 355002806 /nfs/dbraw/zinc/00/28/06/355002806.db2.gz CQZTZBHSEHLPOW-LLVKDONJSA-N 2 2 261.391 -0.389 20 0 CBADLP C[N@H+]1CCN(C(=O)N[C@H]2CC(=O)N(C3CC3)C2)[C@H](C[NH3+])C1 ZINC000580053723 354985955 /nfs/dbraw/zinc/98/59/55/354985955.db2.gz JYKYIZMXVKKGLF-CMPLNLGQSA-N 2 2 295.387 -0.966 20 0 CBADLP C[C@H](C[NH3+])NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000579980129 354986107 /nfs/dbraw/zinc/98/61/07/354986107.db2.gz LJSTXOACJPSHGN-MRVPVSSYSA-N 2 2 261.285 -0.264 20 0 CBADLP C[NH2+]C[C@@H]1CCCN(C(=O)C[N@H+](C)CC(=O)NC(C)C)C1 ZINC000580309630 354992967 /nfs/dbraw/zinc/99/29/67/354992967.db2.gz ALBWNLJEQUARJX-ZDUSSCGKSA-N 2 2 298.431 -0.099 20 0 CBADLP C[NH2+]C[C@@H]1CCCN(C(=O)C[N@@H+](C)CC(=O)NC(C)C)C1 ZINC000580309630 354992971 /nfs/dbraw/zinc/99/29/71/354992971.db2.gz ALBWNLJEQUARJX-ZDUSSCGKSA-N 2 2 298.431 -0.099 20 0 CBADLP COc1cc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])ncn1 ZINC000580418253 354995844 /nfs/dbraw/zinc/99/58/44/354995844.db2.gz SMHUZFRZPCTRRB-SECBINFHSA-N 2 2 280.332 -0.408 20 0 CBADLP COc1cc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])ncn1 ZINC000580418253 354995847 /nfs/dbraw/zinc/99/58/47/354995847.db2.gz SMHUZFRZPCTRRB-SECBINFHSA-N 2 2 280.332 -0.408 20 0 CBADLP C[C@@H](C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)[NH+]1CCN(C)CC1 ZINC000581012798 355003805 /nfs/dbraw/zinc/00/38/05/355003805.db2.gz VPXNITHJOXJSBT-DZGCQCFKSA-N 2 2 280.416 -0.166 20 0 CBADLP C[N@@H+]1CCN(C(=O)COc2cccnc2)[C@@H](C[NH3+])C1 ZINC000580895457 355001020 /nfs/dbraw/zinc/00/10/20/355001020.db2.gz UAYKVSQPDSUFDI-NSHDSACASA-N 2 2 264.329 -0.438 20 0 CBADLP C[N@H+]1CCN(C(=O)COc2cccnc2)[C@@H](C[NH3+])C1 ZINC000580895457 355001022 /nfs/dbraw/zinc/00/10/22/355001022.db2.gz UAYKVSQPDSUFDI-NSHDSACASA-N 2 2 264.329 -0.438 20 0 CBADLP CC[NH+]1CCN(CC(=O)N2CC[NH2+]C[C@@H]2C(F)F)CC1 ZINC000584617502 355033792 /nfs/dbraw/zinc/03/37/92/355033792.db2.gz WVPVTVAOAWJHFY-LLVKDONJSA-N 2 2 290.358 -0.311 20 0 CBADLP COC(=O)CCNC(=O)C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000582189468 355010185 /nfs/dbraw/zinc/01/01/85/355010185.db2.gz QQSIQPHQFRHSBI-VHSXEESVSA-N 2 2 257.334 -0.523 20 0 CBADLP COC(=O)CCNC(=O)C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000582189468 355010187 /nfs/dbraw/zinc/01/01/87/355010187.db2.gz QQSIQPHQFRHSBI-VHSXEESVSA-N 2 2 257.334 -0.523 20 0 CBADLP CC[C@@H](CO)[NH+]1CCN(c2nc[nH+]c(N)c2OC)CC1 ZINC000582192056 355010842 /nfs/dbraw/zinc/01/08/42/355010842.db2.gz WQTDPJZQCZZMFU-JTQLQIEISA-N 2 2 281.360 -0.040 20 0 CBADLP [NH3+][C@@H](CNC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)C1CC1 ZINC000582231458 355010912 /nfs/dbraw/zinc/01/09/12/355010912.db2.gz XNFAEBHHCMPVNB-XQQFMLRXSA-N 2 2 282.388 -0.114 20 0 CBADLP [NH3+][C@@H](CNC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)C1CC1 ZINC000582231458 355010915 /nfs/dbraw/zinc/01/09/15/355010915.db2.gz XNFAEBHHCMPVNB-XQQFMLRXSA-N 2 2 282.388 -0.114 20 0 CBADLP C[NH+](C)[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1O ZINC000582250874 355011652 /nfs/dbraw/zinc/01/16/52/355011652.db2.gz FWDNNKIIXHPDRD-UWVGGRQHSA-N 2 2 266.345 -0.179 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](c2nnc(C)[nH]2)C1 ZINC000582249024 355012049 /nfs/dbraw/zinc/01/20/49/355012049.db2.gz BYMLVRQXXSSZJJ-OLZOCXBDSA-N 2 2 297.403 -0.158 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](c2nnc(C)[nH]2)C1 ZINC000582249024 355012054 /nfs/dbraw/zinc/01/20/54/355012054.db2.gz BYMLVRQXXSSZJJ-OLZOCXBDSA-N 2 2 297.403 -0.158 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](c2nnc(C)[nH]2)C1 ZINC000582249024 355012057 /nfs/dbraw/zinc/01/20/57/355012057.db2.gz BYMLVRQXXSSZJJ-OLZOCXBDSA-N 2 2 297.403 -0.158 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](c2nnc(C)[nH]2)C1 ZINC000582249024 355012059 /nfs/dbraw/zinc/01/20/59/355012059.db2.gz BYMLVRQXXSSZJJ-OLZOCXBDSA-N 2 2 297.403 -0.158 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)C1(CO)CCC1 ZINC000583508388 355019275 /nfs/dbraw/zinc/01/92/75/355019275.db2.gz JGDYPNDEXVNJID-LBPRGKRZSA-N 2 2 260.378 -0.228 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)C1(CO)CCC1 ZINC000583508388 355019278 /nfs/dbraw/zinc/01/92/78/355019278.db2.gz JGDYPNDEXVNJID-LBPRGKRZSA-N 2 2 260.378 -0.228 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)C1(CO)CCC1 ZINC000583508388 355019280 /nfs/dbraw/zinc/01/92/80/355019280.db2.gz JGDYPNDEXVNJID-LBPRGKRZSA-N 2 2 260.378 -0.228 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)C1(CO)CCC1 ZINC000583508388 355019282 /nfs/dbraw/zinc/01/92/82/355019282.db2.gz JGDYPNDEXVNJID-LBPRGKRZSA-N 2 2 260.378 -0.228 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)C1(CO)CCC1 ZINC000583508387 355019314 /nfs/dbraw/zinc/01/93/14/355019314.db2.gz JGDYPNDEXVNJID-GFCCVEGCSA-N 2 2 260.378 -0.228 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)C1(CO)CCC1 ZINC000583508387 355019319 /nfs/dbraw/zinc/01/93/19/355019319.db2.gz JGDYPNDEXVNJID-GFCCVEGCSA-N 2 2 260.378 -0.228 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)C1(CO)CCC1 ZINC000583508387 355019324 /nfs/dbraw/zinc/01/93/24/355019324.db2.gz JGDYPNDEXVNJID-GFCCVEGCSA-N 2 2 260.378 -0.228 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)C1(CO)CCC1 ZINC000583508387 355019326 /nfs/dbraw/zinc/01/93/26/355019326.db2.gz JGDYPNDEXVNJID-GFCCVEGCSA-N 2 2 260.378 -0.228 20 0 CBADLP C[C@H]1CNCC[N@@H+]1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000584350864 355029559 /nfs/dbraw/zinc/02/95/59/355029559.db2.gz GEHYDSYKLKVFDC-RYUDHWBXSA-N 2 2 254.378 -0.523 20 0 CBADLP C[C@H]1CNCC[N@H+]1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000584350864 355029564 /nfs/dbraw/zinc/02/95/64/355029564.db2.gz GEHYDSYKLKVFDC-RYUDHWBXSA-N 2 2 254.378 -0.523 20 0 CBADLP CNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000585717006 355049254 /nfs/dbraw/zinc/04/92/54/355049254.db2.gz SZAAFOVEGBXSTD-GFCCVEGCSA-N 2 2 298.387 -0.371 20 0 CBADLP CNC(=O)NC(=O)C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000585717006 355049255 /nfs/dbraw/zinc/04/92/55/355049255.db2.gz SZAAFOVEGBXSTD-GFCCVEGCSA-N 2 2 298.387 -0.371 20 0 CBADLP COC(=O)[C@@H](NC(=O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)C(C)C ZINC000589252282 355066475 /nfs/dbraw/zinc/06/64/75/355066475.db2.gz WBNNTDXIBAHCCM-GVXVVHGQSA-N 2 2 283.372 -0.549 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](O)C[N@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000592529553 355159427 /nfs/dbraw/zinc/15/94/27/355159427.db2.gz LSLZCWOMMNOHSX-ZYHUDNBSSA-N 2 2 296.371 -0.158 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000592529553 355159428 /nfs/dbraw/zinc/15/94/28/355159428.db2.gz LSLZCWOMMNOHSX-ZYHUDNBSSA-N 2 2 296.371 -0.158 20 0 CBADLP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000592181072 355136670 /nfs/dbraw/zinc/13/66/70/355136670.db2.gz BJAWPNLMNQHDTC-LLVKDONJSA-N 2 2 298.387 -0.373 20 0 CBADLP CNC(=O)NC(=O)[C@@H](C)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000592181072 355136672 /nfs/dbraw/zinc/13/66/72/355136672.db2.gz BJAWPNLMNQHDTC-LLVKDONJSA-N 2 2 298.387 -0.373 20 0 CBADLP COC(=O)[C@@H](O)C[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000592431496 355153705 /nfs/dbraw/zinc/15/37/05/355153705.db2.gz XASPEGRLQDNSLA-KBPBESRZSA-N 2 2 296.367 -0.397 20 0 CBADLP COC(=O)[C@@H](O)C[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000592431496 355153707 /nfs/dbraw/zinc/15/37/07/355153707.db2.gz XASPEGRLQDNSLA-KBPBESRZSA-N 2 2 296.367 -0.397 20 0 CBADLP COC(=O)[C@H]1C[NH2+]CCCN1CC[NH+]1CCOCC1 ZINC000592984592 355188592 /nfs/dbraw/zinc/18/85/92/355188592.db2.gz QTWRGXUFKQWPNH-GFCCVEGCSA-N 2 2 271.361 -0.845 20 0 CBADLP COC(=O)[C@](C)(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C1CC1 ZINC000593902423 355225861 /nfs/dbraw/zinc/22/58/61/355225861.db2.gz SWGRRQBIVBVEAY-GXFFZTMASA-N 2 2 271.361 -0.277 20 0 CBADLP COC(=O)[C@]1(C)CCCN1C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000593905854 355227085 /nfs/dbraw/zinc/22/70/85/355227085.db2.gz CPBMPKVNVXJTOZ-MFKMUULPSA-N 2 2 271.361 -0.181 20 0 CBADLP CCOC(=O)[C@H](C)[C@@H](C)NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000593907443 355227144 /nfs/dbraw/zinc/22/71/44/355227144.db2.gz OVCISVFNROUDJE-MXWKQRLJSA-N 2 2 273.377 -0.031 20 0 CBADLP COC[C@@](C)(CC(=O)OC)NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000593905417 355227225 /nfs/dbraw/zinc/22/72/25/355227225.db2.gz GASLVVNCQDEYCZ-GXFFZTMASA-N 2 2 289.376 -0.650 20 0 CBADLP COC(=O)[C@@]1(C)CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000593907792 355227293 /nfs/dbraw/zinc/22/72/93/355227293.db2.gz VXHWRVQHIOFWFF-GWCFXTLKSA-N 2 2 271.361 -0.323 20 0 CBADLP CCOC(=O)[C@@H](C)CNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000593909963 355228173 /nfs/dbraw/zinc/22/81/73/355228173.db2.gz OQQDKAFEOTWPAK-VHSXEESVSA-N 2 2 259.350 -0.419 20 0 CBADLP CCOC(=O)C[C@@H](C)CNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000593910452 355228182 /nfs/dbraw/zinc/22/81/82/355228182.db2.gz KFQHFXRGOUFUCB-MNOVXSKESA-N 2 2 273.377 -0.029 20 0 CBADLP COC(=O)[C@H]1CCCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000593912191 355229345 /nfs/dbraw/zinc/22/93/45/355229345.db2.gz YGZKDSZRLGCOEF-WDEREUQCSA-N 2 2 271.361 -0.323 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](O)C[C@H](C(=O)OC)C1 ZINC000594016428 355234784 /nfs/dbraw/zinc/23/47/84/355234784.db2.gz XAYQODHSWGTIAM-TUAOUCFPSA-N 2 2 274.361 -0.845 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](O)C[C@H](C(=O)OC)C1 ZINC000594016428 355234787 /nfs/dbraw/zinc/23/47/87/355234787.db2.gz XAYQODHSWGTIAM-TUAOUCFPSA-N 2 2 274.361 -0.845 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](O)C[C@H](C(=O)OC)C1 ZINC000594016428 355234789 /nfs/dbraw/zinc/23/47/89/355234789.db2.gz XAYQODHSWGTIAM-TUAOUCFPSA-N 2 2 274.361 -0.845 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](O)C[C@H](C(=O)OC)C1 ZINC000594016428 355234791 /nfs/dbraw/zinc/23/47/91/355234791.db2.gz XAYQODHSWGTIAM-TUAOUCFPSA-N 2 2 274.361 -0.845 20 0 CBADLP CCO[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(=O)NC2CC2)C[C@H]1C[NH3+] ZINC000593737144 355217753 /nfs/dbraw/zinc/21/77/53/355217753.db2.gz PMABHXBAQJOPHS-HOSYDEDBSA-N 2 2 298.387 -0.341 20 0 CBADLP CCO[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(=O)NC2CC2)C[C@H]1C[NH3+] ZINC000593737144 355217757 /nfs/dbraw/zinc/21/77/57/355217757.db2.gz PMABHXBAQJOPHS-HOSYDEDBSA-N 2 2 298.387 -0.341 20 0 CBADLP CC1CCN(C(=O)C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC1 ZINC000594874312 355265992 /nfs/dbraw/zinc/26/59/92/355265992.db2.gz VLOWMNUMBHGIDZ-CHWSQXEVSA-N 2 2 294.399 -0.511 20 0 CBADLP CC1CCN(C(=O)C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC1 ZINC000594874312 355265998 /nfs/dbraw/zinc/26/59/98/355265998.db2.gz VLOWMNUMBHGIDZ-CHWSQXEVSA-N 2 2 294.399 -0.511 20 0 CBADLP [NH3+][C@H]1C[C@H]2C[N@H+](CC(=O)N3CCCCCC3)CCN2C1=O ZINC000594873957 355266446 /nfs/dbraw/zinc/26/64/46/355266446.db2.gz XFXRRYAXGRTSLM-STQMWFEESA-N 2 2 294.399 -0.367 20 0 CBADLP [NH3+][C@H]1C[C@H]2C[N@@H+](CC(=O)N3CCCCCC3)CCN2C1=O ZINC000594873957 355266450 /nfs/dbraw/zinc/26/64/50/355266450.db2.gz XFXRRYAXGRTSLM-STQMWFEESA-N 2 2 294.399 -0.367 20 0 CBADLP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000594917388 355268841 /nfs/dbraw/zinc/26/88/41/355268841.db2.gz JEMJWFXYNQCNBV-QJPTWQEYSA-N 2 2 283.372 -0.452 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+]C[C@H]2CNc3ccnn3C2)CC1 ZINC000595145502 355272379 /nfs/dbraw/zinc/27/23/79/355272379.db2.gz CVELURYHDVGNAB-LBPRGKRZSA-N 2 2 292.387 -0.712 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](O)C[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000595565507 355296385 /nfs/dbraw/zinc/29/63/85/355296385.db2.gz FIPDFLDNJOWHCX-UPJWGTAASA-N 2 2 288.388 -0.457 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000595565507 355296390 /nfs/dbraw/zinc/29/63/90/355296390.db2.gz FIPDFLDNJOWHCX-UPJWGTAASA-N 2 2 288.388 -0.457 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](O)C[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C1 ZINC000595565507 355296393 /nfs/dbraw/zinc/29/63/93/355296393.db2.gz FIPDFLDNJOWHCX-UPJWGTAASA-N 2 2 288.388 -0.457 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](O)C[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000595565507 355296396 /nfs/dbraw/zinc/29/63/96/355296396.db2.gz FIPDFLDNJOWHCX-UPJWGTAASA-N 2 2 288.388 -0.457 20 0 CBADLP COC(=O)[C@@](C)(O)C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000595863332 355312714 /nfs/dbraw/zinc/31/27/14/355312714.db2.gz NRYZRVCIIWQJAA-OCCSQVGLSA-N 2 2 286.372 -0.559 20 0 CBADLP COC(=O)[C@@](C)(O)C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000595863332 355312715 /nfs/dbraw/zinc/31/27/15/355312715.db2.gz NRYZRVCIIWQJAA-OCCSQVGLSA-N 2 2 286.372 -0.559 20 0 CBADLP COC(=O)CCN1CC[C@H]([N@@H+]2CCC[NH2+]CC2)C1=O ZINC000595892242 355314492 /nfs/dbraw/zinc/31/44/92/355314492.db2.gz KWUKPAXAUBQRSU-NSHDSACASA-N 2 2 269.345 -0.554 20 0 CBADLP COC(=O)CCN1CC[C@H]([N@H+]2CCC[NH2+]CC2)C1=O ZINC000595892242 355314494 /nfs/dbraw/zinc/31/44/94/355314494.db2.gz KWUKPAXAUBQRSU-NSHDSACASA-N 2 2 269.345 -0.554 20 0 CBADLP COC(=O)[C@@H]1C[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000595891631 355314628 /nfs/dbraw/zinc/31/46/28/355314628.db2.gz JJPPQJSTGKMWHU-MNOVXSKESA-N 2 2 270.329 -0.619 20 0 CBADLP COC(=O)[C@@H]1C[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000595891631 355314630 /nfs/dbraw/zinc/31/46/30/355314630.db2.gz JJPPQJSTGKMWHU-MNOVXSKESA-N 2 2 270.329 -0.619 20 0 CBADLP COC(=O)CCN1CC[C@@H]([N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)C1=O ZINC000595888793 355314706 /nfs/dbraw/zinc/31/47/06/355314706.db2.gz OUBWRXREAZTIND-IUODEOHRSA-N 2 2 295.383 -0.164 20 0 CBADLP COC(=O)CCN1CC[C@@H]([N@H+]2CC[C@@]3(CC[NH2+]C3)C2)C1=O ZINC000595888793 355314709 /nfs/dbraw/zinc/31/47/09/355314709.db2.gz OUBWRXREAZTIND-IUODEOHRSA-N 2 2 295.383 -0.164 20 0 CBADLP COC(=O)CCN1CC[C@H]([N@@H+]2CC[C@]3(CC[NH2+]C3)C2)C1=O ZINC000595888798 355314865 /nfs/dbraw/zinc/31/48/65/355314865.db2.gz OUBWRXREAZTIND-WFASDCNBSA-N 2 2 295.383 -0.164 20 0 CBADLP COC(=O)CCN1CC[C@H]([N@H+]2CC[C@]3(CC[NH2+]C3)C2)C1=O ZINC000595888798 355314867 /nfs/dbraw/zinc/31/48/67/355314867.db2.gz OUBWRXREAZTIND-WFASDCNBSA-N 2 2 295.383 -0.164 20 0 CBADLP COC(=O)CCN1CC[C@H]([N@@H+]2CCCO[C@H](C[NH3+])C2)C1=O ZINC000595894093 355315915 /nfs/dbraw/zinc/31/59/15/355315915.db2.gz UTEWWCHMACWNBE-NEPJUHHUSA-N 2 2 299.371 -0.800 20 0 CBADLP COC(=O)CCN1CC[C@H]([N@H+]2CCCO[C@H](C[NH3+])C2)C1=O ZINC000595894093 355315918 /nfs/dbraw/zinc/31/59/18/355315918.db2.gz UTEWWCHMACWNBE-NEPJUHHUSA-N 2 2 299.371 -0.800 20 0 CBADLP CCCCNC(=O)NC(=O)C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000595902254 355316907 /nfs/dbraw/zinc/31/69/07/355316907.db2.gz PRTMMUZUKJYHIE-UHFFFAOYSA-N 2 2 286.376 -0.684 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000595905259 355317890 /nfs/dbraw/zinc/31/78/90/355317890.db2.gz AQXYFEULHMFYEO-MNOVXSKESA-N 2 2 286.376 -0.388 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000595905259 355317892 /nfs/dbraw/zinc/31/78/92/355317892.db2.gz AQXYFEULHMFYEO-MNOVXSKESA-N 2 2 286.376 -0.388 20 0 CBADLP COC(=O)C[C@H]([NH3+])C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000595939812 355322336 /nfs/dbraw/zinc/32/23/36/355322336.db2.gz LPWQJYIMUGOPQJ-MXWKQRLJSA-N 2 2 287.360 -0.898 20 0 CBADLP COC(=O)C[C@H]([NH3+])C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000595939812 355322337 /nfs/dbraw/zinc/32/23/37/355322337.db2.gz LPWQJYIMUGOPQJ-MXWKQRLJSA-N 2 2 287.360 -0.898 20 0 CBADLP CSCC[C@@H]([NH3+])C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000595941484 355322617 /nfs/dbraw/zinc/32/26/17/355322617.db2.gz QIQOHKDXXBNGMB-NWDGAFQWSA-N 2 2 287.429 0.000 20 0 CBADLP COC(=O)C[C@H](CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)C1CC1 ZINC000595972267 355332256 /nfs/dbraw/zinc/33/22/56/355332256.db2.gz KONZTGPPELPWRH-NEPJUHHUSA-N 2 2 285.388 -0.029 20 0 CBADLP COC(=O)C1(C(=O)NCC[N@H+](C)CCC[NH+](C)C)CC1 ZINC000597990568 355425527 /nfs/dbraw/zinc/42/55/27/355425527.db2.gz ZLRPRFUGXWXYGX-UHFFFAOYSA-N 2 2 285.388 -0.061 20 0 CBADLP COC(=O)C1(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)CC1 ZINC000597990568 355425529 /nfs/dbraw/zinc/42/55/29/355425529.db2.gz ZLRPRFUGXWXYGX-UHFFFAOYSA-N 2 2 285.388 -0.061 20 0 CBADLP COC(=O)[C@@]1(OC)CC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000599558907 355499033 /nfs/dbraw/zinc/49/90/33/355499033.db2.gz PONROHJAUMLJIG-GXTWGEPZSA-N 2 2 288.388 -0.049 20 0 CBADLP COC(=O)[C@@]1(OC)CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000599558907 355499037 /nfs/dbraw/zinc/49/90/37/355499037.db2.gz PONROHJAUMLJIG-GXTWGEPZSA-N 2 2 288.388 -0.049 20 0 CBADLP COC(=O)[C@@]1(OC)CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C1 ZINC000599558907 355499039 /nfs/dbraw/zinc/49/90/39/355499039.db2.gz PONROHJAUMLJIG-GXTWGEPZSA-N 2 2 288.388 -0.049 20 0 CBADLP COC(=O)[C@@]1(OC)CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000599558907 355499042 /nfs/dbraw/zinc/49/90/42/355499042.db2.gz PONROHJAUMLJIG-GXTWGEPZSA-N 2 2 288.388 -0.049 20 0 CBADLP COC(=O)CCNC(=O)CC[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000599007437 355459134 /nfs/dbraw/zinc/45/91/34/355459134.db2.gz KBXAFTWCHKPCOY-GHMZBOCLSA-N 2 2 271.361 -0.405 20 0 CBADLP COC(=O)CCNC(=O)CC[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000599007437 355459138 /nfs/dbraw/zinc/45/91/38/355459138.db2.gz KBXAFTWCHKPCOY-GHMZBOCLSA-N 2 2 271.361 -0.405 20 0 CBADLP CNC(=O)NC(=O)CC[N@@H+]1CCc2[nH+]c[nH]c2C1 ZINC000599422275 355487170 /nfs/dbraw/zinc/48/71/70/355487170.db2.gz LSAIQEYRCMBTPL-UHFFFAOYSA-N 2 2 251.290 -0.387 20 0 CBADLP CNC(=O)NC(=O)CC[N@H+]1CCc2[nH+]c[nH]c2C1 ZINC000599422275 355487172 /nfs/dbraw/zinc/48/71/72/355487172.db2.gz LSAIQEYRCMBTPL-UHFFFAOYSA-N 2 2 251.290 -0.387 20 0 CBADLP COC(=O)CCNC(=O)C[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000601328080 355586187 /nfs/dbraw/zinc/58/61/87/355586187.db2.gz GIBXVWVCONCIKE-MFKMUULPSA-N 2 2 269.345 -0.603 20 0 CBADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+]([C@H]3CCN(C4CCC4)C3=O)CCN2C1=O ZINC000601326602 355586215 /nfs/dbraw/zinc/58/62/15/355586215.db2.gz UJVHYCMMPKHZRH-UPJWGTAASA-N 2 2 292.383 -0.616 20 0 CBADLP [NH3+][C@@H]1C[C@@H]2C[N@H+]([C@H]3CCN(C4CCC4)C3=O)CCN2C1=O ZINC000601326602 355586217 /nfs/dbraw/zinc/58/62/17/355586217.db2.gz UJVHYCMMPKHZRH-UPJWGTAASA-N 2 2 292.383 -0.616 20 0 CBADLP CNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000601334666 355588746 /nfs/dbraw/zinc/58/87/46/355588746.db2.gz MDRSPOPTQCAPQL-ZJUUUORDSA-N 2 2 254.334 -0.484 20 0 CBADLP CNC(=O)NC(=O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000601334666 355588748 /nfs/dbraw/zinc/58/87/48/355588748.db2.gz MDRSPOPTQCAPQL-ZJUUUORDSA-N 2 2 254.334 -0.484 20 0 CBADLP CCCNC(=O)NC(=O)C[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000601332877 355588751 /nfs/dbraw/zinc/58/87/51/355588751.db2.gz PFWYNWOLTYMBDX-MFKMUULPSA-N 2 2 268.361 -0.046 20 0 CBADLP CCOC(=O)CC[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000600714497 355562873 /nfs/dbraw/zinc/56/28/73/355562873.db2.gz SUZYIRPSXNQZFG-UHFFFAOYSA-N 2 2 298.387 -0.418 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000600953216 355571206 /nfs/dbraw/zinc/57/12/06/355571206.db2.gz OINUGIZNPGYDGK-CQSZACIVSA-N 2 2 296.415 -0.249 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC000600953216 355571210 /nfs/dbraw/zinc/57/12/10/355571210.db2.gz OINUGIZNPGYDGK-CQSZACIVSA-N 2 2 296.415 -0.249 20 0 CBADLP COc1ccc[nH+]c1N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000600946742 355571271 /nfs/dbraw/zinc/57/12/71/355571271.db2.gz HSYZTZHFJXWUMH-VHSXEESVSA-N 2 2 262.313 -0.162 20 0 CBADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC000601004973 355575567 /nfs/dbraw/zinc/57/55/67/355575567.db2.gz HINISULXYNXNDT-QWHCGFSZSA-N 2 2 269.389 -0.004 20 0 CBADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000601004973 355575569 /nfs/dbraw/zinc/57/55/69/355575569.db2.gz HINISULXYNXNDT-QWHCGFSZSA-N 2 2 269.389 -0.004 20 0 CBADLP COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1c[nH+]c(C)n1C ZINC000601145001 355578623 /nfs/dbraw/zinc/57/86/23/355578623.db2.gz GSDGRCZEVBRZMT-IUCAKERBSA-N 2 2 282.344 -0.116 20 0 CBADLP CCc1c[nH]c(CC(=O)N2CCC[NH2+]C[C@@H]2C(=O)OC)[nH+]1 ZINC000602493584 355654055 /nfs/dbraw/zinc/65/40/55/355654055.db2.gz XPOXRKDMMNKDPR-LLVKDONJSA-N 2 2 294.355 -0.122 20 0 CBADLP COC(=O)[C@@H]1CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C[C@@H](C)O1 ZINC000602548119 355659829 /nfs/dbraw/zinc/65/98/29/355659829.db2.gz MCBXLWPCTKQIPM-VWYCJHECSA-N 2 2 287.360 -0.946 20 0 CBADLP COC(=O)CNC(=O)C[NH2+]Cc1c[nH+]cn1C(C)C ZINC000602748222 355669350 /nfs/dbraw/zinc/66/93/50/355669350.db2.gz GCWTZMLXSQAGMX-UHFFFAOYSA-N 2 2 268.317 -0.157 20 0 CBADLP COC(=O)CNC(=O)C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000602749807 355669608 /nfs/dbraw/zinc/66/96/08/355669608.db2.gz MBXXNVDLOVBSGK-VHSXEESVSA-N 2 2 257.334 -0.652 20 0 CBADLP COC(=O)CNC(=O)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000602749807 355669611 /nfs/dbraw/zinc/66/96/11/355669611.db2.gz MBXXNVDLOVBSGK-VHSXEESVSA-N 2 2 257.334 -0.652 20 0 CBADLP COC(=O)CNC(=O)C[NH2+]Cc1c[nH+]c(C)n1C ZINC000602750007 355669854 /nfs/dbraw/zinc/66/98/54/355669854.db2.gz OEDAAQWYESTXOV-UHFFFAOYSA-N 2 2 254.290 -0.893 20 0 CBADLP [NH3+][C@H]1C[C@H]2C[N@H+](Cc3ccns3)CCN2C1=O ZINC000603427828 355715188 /nfs/dbraw/zinc/71/51/88/355715188.db2.gz GBMGAZQVNRHPSC-WPRPVWTQSA-N 2 2 252.343 -0.113 20 0 CBADLP [NH3+][C@H]1C[C@H]2C[N@@H+](Cc3ccns3)CCN2C1=O ZINC000603427828 355715191 /nfs/dbraw/zinc/71/51/91/355715191.db2.gz GBMGAZQVNRHPSC-WPRPVWTQSA-N 2 2 252.343 -0.113 20 0 CBADLP COC(=O)[C@@H]1[C@H](O)CCC[N@@H+]1CCc1c[nH+]cn1C ZINC000602816323 355673757 /nfs/dbraw/zinc/67/37/57/355673757.db2.gz VLKIDRKPPJTIMC-NEPJUHHUSA-N 2 2 267.329 -0.039 20 0 CBADLP COC(=O)[C@@H]1[C@H](O)CCC[N@H+]1CCc1c[nH+]cn1C ZINC000602816323 355673762 /nfs/dbraw/zinc/67/37/62/355673762.db2.gz VLKIDRKPPJTIMC-NEPJUHHUSA-N 2 2 267.329 -0.039 20 0 CBADLP CCOC(=O)[C@@](C)(O)C[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000602876672 355679417 /nfs/dbraw/zinc/67/94/17/355679417.db2.gz INFVVNNQTSOEHR-UONOGXRCSA-N 2 2 288.388 -0.311 20 0 CBADLP CCOC(=O)[C@@](C)(O)C[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000602876672 355679419 /nfs/dbraw/zinc/67/94/19/355679419.db2.gz INFVVNNQTSOEHR-UONOGXRCSA-N 2 2 288.388 -0.311 20 0 CBADLP CCOC(=O)[C@@](C)(O)C[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000602876670 355679489 /nfs/dbraw/zinc/67/94/89/355679489.db2.gz INFVVNNQTSOEHR-KBPBESRZSA-N 2 2 288.388 -0.311 20 0 CBADLP CCOC(=O)[C@@](C)(O)C[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000602876670 355679492 /nfs/dbraw/zinc/67/94/92/355679492.db2.gz INFVVNNQTSOEHR-KBPBESRZSA-N 2 2 288.388 -0.311 20 0 CBADLP COC(=O)[C@@]1(C)C[N@H+](CC(=O)N2CC[NH+](C)CC2)C[C@@H]1C ZINC000602928232 355684614 /nfs/dbraw/zinc/68/46/14/355684614.db2.gz ZGOBMVUZOBNORM-WFASDCNBSA-N 2 2 297.399 -0.109 20 0 CBADLP COC(=O)[C@@]1(C)C[N@@H+](CC(=O)N2CC[NH+](C)CC2)C[C@@H]1C ZINC000602928232 355684616 /nfs/dbraw/zinc/68/46/16/355684616.db2.gz ZGOBMVUZOBNORM-WFASDCNBSA-N 2 2 297.399 -0.109 20 0 CBADLP CNC(=O)NC(=O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609157384 355765964 /nfs/dbraw/zinc/76/59/64/355765964.db2.gz HQFPONOMIPYVOJ-JTQLQIEISA-N 2 2 265.317 -0.024 20 0 CBADLP CNC(=O)NC(=O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609157384 355765968 /nfs/dbraw/zinc/76/59/68/355765968.db2.gz HQFPONOMIPYVOJ-JTQLQIEISA-N 2 2 265.317 -0.024 20 0 CBADLP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](CC)CC2)C1 ZINC000612551448 355840193 /nfs/dbraw/zinc/84/01/93/355840193.db2.gz HCQMTEWWOKPPAR-CYBMUJFWSA-N 2 2 296.415 -0.249 20 0 CBADLP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](CC)CC2)C1 ZINC000612551448 355840197 /nfs/dbraw/zinc/84/01/97/355840197.db2.gz HCQMTEWWOKPPAR-CYBMUJFWSA-N 2 2 296.415 -0.249 20 0 CBADLP C[C@@]1(NC(=O)NCC2([NH+]3CCOCC3)CC2)CC[NH2+]C1 ZINC000612904762 355856088 /nfs/dbraw/zinc/85/60/88/355856088.db2.gz USSLVSJJNRLORJ-CYBMUJFWSA-N 2 2 282.388 -0.098 20 0 CBADLP CN(Cc1cnn(C)c1)C(=O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000613996741 355926576 /nfs/dbraw/zinc/92/65/76/355926576.db2.gz SICVYUYCMFGNCB-STQMWFEESA-N 2 2 277.372 -0.470 20 0 CBADLP C[NH+](C)C[C@@H](CO)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000614845271 355988427 /nfs/dbraw/zinc/98/84/27/355988427.db2.gz BCJKZBCDVYKUTP-QWRGUYRKSA-N 2 2 266.345 -0.516 20 0 CBADLP C[NH+](C)C[C@@H](CO)NC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000614846575 355989002 /nfs/dbraw/zinc/98/90/02/355989002.db2.gz IEXBSUDTIIZWNV-LBPRGKRZSA-N 2 2 285.388 -0.720 20 0 CBADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](CO)C[NH+](C)C ZINC000614859444 355995245 /nfs/dbraw/zinc/99/52/45/355995245.db2.gz ZIIFRVWGCSYXRS-ONGXEEELSA-N 2 2 254.334 -0.373 20 0 CBADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](CO)C[NH+](C)C ZINC000614859444 355995249 /nfs/dbraw/zinc/99/52/49/355995249.db2.gz ZIIFRVWGCSYXRS-ONGXEEELSA-N 2 2 254.334 -0.373 20 0 CBADLP C[C@@H](CC(=O)N[C@H](CO)C[NH+](C)C)n1cc[nH+]c1 ZINC000614859046 355995603 /nfs/dbraw/zinc/99/56/03/355995603.db2.gz VKFYYYHAILODEI-QWRGUYRKSA-N 2 2 254.334 -0.127 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000614413376 355956788 /nfs/dbraw/zinc/95/67/88/355956788.db2.gz QLJBLNIJMLXQRS-GFCCVEGCSA-N 2 2 282.344 -0.999 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000614503718 355964147 /nfs/dbraw/zinc/96/41/47/355964147.db2.gz QUOSPVQGMWLBBG-CYBMUJFWSA-N 2 2 277.372 -0.531 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000614503718 355964150 /nfs/dbraw/zinc/96/41/50/355964150.db2.gz QUOSPVQGMWLBBG-CYBMUJFWSA-N 2 2 277.372 -0.531 20 0 CBADLP O=C(CCc1[nH]cc[nH+]1)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000614506762 355965015 /nfs/dbraw/zinc/96/50/15/355965015.db2.gz ZVUXIULJFZSMNK-GFCCVEGCSA-N 2 2 277.372 -0.152 20 0 CBADLP O=C(CCc1[nH]cc[nH+]1)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000614506762 355965017 /nfs/dbraw/zinc/96/50/17/355965017.db2.gz ZVUXIULJFZSMNK-GFCCVEGCSA-N 2 2 277.372 -0.152 20 0 CBADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000615080922 356009090 /nfs/dbraw/zinc/00/90/90/356009090.db2.gz VJYKUUDGYPUQDZ-AAXDQBDMSA-N 2 2 278.356 -0.343 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CC(C[NH+]2CCOCC2)C1 ZINC000615139895 356011335 /nfs/dbraw/zinc/01/13/35/356011335.db2.gz ORABZFSCTWYYJD-UHFFFAOYSA-N 2 2 264.329 -0.326 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC[C@H]([NH+](C)C)[C@H]1C ZINC000615309301 356020310 /nfs/dbraw/zinc/02/03/10/356020310.db2.gz SNXJRASEPVTTHP-OLZOCXBDSA-N 2 2 298.431 -0.006 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CC[C@H]([NH+](C)C)[C@H]1C ZINC000615309301 356020311 /nfs/dbraw/zinc/02/03/11/356020311.db2.gz SNXJRASEPVTTHP-OLZOCXBDSA-N 2 2 298.431 -0.006 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C1(n2cnnn2)CC1 ZINC000617763310 356155250 /nfs/dbraw/zinc/15/52/50/356155250.db2.gz MNGHSWLOXPASQM-UHFFFAOYSA-N 2 2 295.391 -0.838 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C1(n2cnnn2)CC1 ZINC000617763310 356155251 /nfs/dbraw/zinc/15/52/51/356155251.db2.gz MNGHSWLOXPASQM-UHFFFAOYSA-N 2 2 295.391 -0.838 20 0 CBADLP CN1C[C@@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)NC1=O ZINC000617762407 356155274 /nfs/dbraw/zinc/15/52/74/356155274.db2.gz OBNQTTLNVQUTIV-NSHDSACASA-N 2 2 285.392 -0.990 20 0 CBADLP CN1C[C@@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)NC1=O ZINC000617762407 356155276 /nfs/dbraw/zinc/15/52/76/356155276.db2.gz OBNQTTLNVQUTIV-NSHDSACASA-N 2 2 285.392 -0.990 20 0 CBADLP C[C@H](NC(N)=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617765068 356155786 /nfs/dbraw/zinc/15/57/86/356155786.db2.gz SAINPPNIUPUDJJ-JTQLQIEISA-N 2 2 273.381 -0.957 20 0 CBADLP C[C@H](NC(N)=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617765068 356155789 /nfs/dbraw/zinc/15/57/89/356155789.db2.gz SAINPPNIUPUDJJ-JTQLQIEISA-N 2 2 273.381 -0.957 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@]1(O)CCOC1 ZINC000617762460 356155832 /nfs/dbraw/zinc/15/58/32/356155832.db2.gz PIEKZJPEZZQFHG-CYBMUJFWSA-N 2 2 273.377 -0.863 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@]1(O)CCOC1 ZINC000617762460 356155834 /nfs/dbraw/zinc/15/58/34/356155834.db2.gz PIEKZJPEZZQFHG-CYBMUJFWSA-N 2 2 273.377 -0.863 20 0 CBADLP CN1C(=O)CC[C@@H]1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617765130 356155851 /nfs/dbraw/zinc/15/58/51/356155851.db2.gz UXAUNEPDAIQFJN-GFCCVEGCSA-N 2 2 284.404 -0.393 20 0 CBADLP CN1C(=O)CC[C@@H]1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617765130 356155853 /nfs/dbraw/zinc/15/58/53/356155853.db2.gz UXAUNEPDAIQFJN-GFCCVEGCSA-N 2 2 284.404 -0.393 20 0 CBADLP CN1CC[C@@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)C1=O ZINC000617764671 356155893 /nfs/dbraw/zinc/15/58/93/356155893.db2.gz BTMIUGJGZAINFK-LBPRGKRZSA-N 2 2 284.404 -0.536 20 0 CBADLP CN1CC[C@@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)C1=O ZINC000617764671 356155897 /nfs/dbraw/zinc/15/58/97/356155897.db2.gz BTMIUGJGZAINFK-LBPRGKRZSA-N 2 2 284.404 -0.536 20 0 CBADLP Cn1cnc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)n1 ZINC000617764432 356155963 /nfs/dbraw/zinc/15/59/63/356155963.db2.gz XEWDOFZERMMWRH-UHFFFAOYSA-N 2 2 268.365 -0.572 20 0 CBADLP Cn1cnc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)n1 ZINC000617764432 356155965 /nfs/dbraw/zinc/15/59/65/356155965.db2.gz XEWDOFZERMMWRH-UHFFFAOYSA-N 2 2 268.365 -0.572 20 0 CBADLP Cc1noc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)n1 ZINC000617764081 356156036 /nfs/dbraw/zinc/15/60/36/356156036.db2.gz IGCPQWKTCNRXFD-UHFFFAOYSA-N 2 2 269.349 -0.009 20 0 CBADLP Cc1noc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)n1 ZINC000617764081 356156037 /nfs/dbraw/zinc/15/60/37/356156037.db2.gz IGCPQWKTCNRXFD-UHFFFAOYSA-N 2 2 269.349 -0.009 20 0 CBADLP COC[C@](C)(O)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617765764 356156328 /nfs/dbraw/zinc/15/63/28/356156328.db2.gz PLWMCZWQYZUUTR-ZDUSSCGKSA-N 2 2 275.393 -0.617 20 0 CBADLP COC[C@](C)(O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617765764 356156330 /nfs/dbraw/zinc/15/63/30/356156330.db2.gz PLWMCZWQYZUUTR-ZDUSSCGKSA-N 2 2 275.393 -0.617 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C1(NC(N)=O)CC1 ZINC000617765820 356157227 /nfs/dbraw/zinc/15/72/27/356157227.db2.gz RHWGFADTXMGRCE-UHFFFAOYSA-N 2 2 285.392 -0.813 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C1(NC(N)=O)CC1 ZINC000617765820 356157230 /nfs/dbraw/zinc/15/72/30/356157230.db2.gz RHWGFADTXMGRCE-UHFFFAOYSA-N 2 2 285.392 -0.813 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CCn1cncn1 ZINC000617767925 356157247 /nfs/dbraw/zinc/15/72/47/356157247.db2.gz IMFFMEYSBGHIQW-UHFFFAOYSA-N 2 2 282.392 -0.332 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CCn1cncn1 ZINC000617767925 356157248 /nfs/dbraw/zinc/15/72/48/356157248.db2.gz IMFFMEYSBGHIQW-UHFFFAOYSA-N 2 2 282.392 -0.332 20 0 CBADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CC[N@H+](C)C1 ZINC000617555221 356142523 /nfs/dbraw/zinc/14/25/23/356142523.db2.gz RNBAGQBSBDGANV-NEPJUHHUSA-N 2 2 255.362 -0.130 20 0 CBADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CC[N@@H+](C)C1 ZINC000617555221 356142526 /nfs/dbraw/zinc/14/25/26/356142526.db2.gz RNBAGQBSBDGANV-NEPJUHHUSA-N 2 2 255.362 -0.130 20 0 CBADLP CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@@H]1CC[NH+](C)C1 ZINC000617555221 356142529 /nfs/dbraw/zinc/14/25/29/356142529.db2.gz RNBAGQBSBDGANV-NEPJUHHUSA-N 2 2 255.362 -0.130 20 0 CBADLP CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@@H]1CC[NH+](C)C1 ZINC000617555221 356142533 /nfs/dbraw/zinc/14/25/33/356142533.db2.gz RNBAGQBSBDGANV-NEPJUHHUSA-N 2 2 255.362 -0.130 20 0 CBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Cn1cnnn1 ZINC000618402128 356189746 /nfs/dbraw/zinc/18/97/46/356189746.db2.gz XJEXYQVIBJANHE-UHFFFAOYSA-N 2 2 295.391 -0.843 20 0 CBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Cn1cnnn1 ZINC000618402128 356189748 /nfs/dbraw/zinc/18/97/48/356189748.db2.gz XJEXYQVIBJANHE-UHFFFAOYSA-N 2 2 295.391 -0.843 20 0 CBADLP CC[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H](C)[NH2+]1 ZINC000620903399 356251748 /nfs/dbraw/zinc/25/17/48/356251748.db2.gz PZWIUSMKSKTHLV-QJPTWQEYSA-N 2 2 255.362 -0.084 20 0 CBADLP CC[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H](C)[NH2+]1 ZINC000620903399 356251751 /nfs/dbraw/zinc/25/17/51/356251751.db2.gz PZWIUSMKSKTHLV-QJPTWQEYSA-N 2 2 255.362 -0.084 20 0 CBADLP CC(C)[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC[NH2+]1 ZINC000621154914 356257712 /nfs/dbraw/zinc/25/77/12/356257712.db2.gz VCGINVIGOBXWHL-RYUDHWBXSA-N 2 2 255.362 -0.227 20 0 CBADLP CC(C)[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC[NH2+]1 ZINC000621154914 356257715 /nfs/dbraw/zinc/25/77/15/356257715.db2.gz VCGINVIGOBXWHL-RYUDHWBXSA-N 2 2 255.362 -0.227 20 0 CBADLP CNS(=O)(=O)CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000621263504 356261335 /nfs/dbraw/zinc/26/13/35/356261335.db2.gz VMSSCAONVVSXSW-NWDGAFQWSA-N 2 2 275.418 -0.048 20 0 CBADLP CNS(=O)(=O)CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000621263504 356261339 /nfs/dbraw/zinc/26/13/39/356261339.db2.gz VMSSCAONVVSXSW-NWDGAFQWSA-N 2 2 275.418 -0.048 20 0 CBADLP CNS(=O)(=O)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000621263504 356261341 /nfs/dbraw/zinc/26/13/41/356261341.db2.gz VMSSCAONVVSXSW-NWDGAFQWSA-N 2 2 275.418 -0.048 20 0 CBADLP CNS(=O)(=O)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000621263504 356261344 /nfs/dbraw/zinc/26/13/44/356261344.db2.gz VMSSCAONVVSXSW-NWDGAFQWSA-N 2 2 275.418 -0.048 20 0 CBADLP CNS(=O)(=O)CC[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000621261637 356261514 /nfs/dbraw/zinc/26/15/14/356261514.db2.gz YBPRCAKYEHCELR-QWRGUYRKSA-N 2 2 263.407 -0.050 20 0 CBADLP CNS(=O)(=O)CC[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000621261637 356261520 /nfs/dbraw/zinc/26/15/20/356261520.db2.gz YBPRCAKYEHCELR-QWRGUYRKSA-N 2 2 263.407 -0.050 20 0 CBADLP CNS(=O)(=O)CC[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000621261637 356261525 /nfs/dbraw/zinc/26/15/25/356261525.db2.gz YBPRCAKYEHCELR-QWRGUYRKSA-N 2 2 263.407 -0.050 20 0 CBADLP CNS(=O)(=O)CC[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000621261637 356261529 /nfs/dbraw/zinc/26/15/29/356261529.db2.gz YBPRCAKYEHCELR-QWRGUYRKSA-N 2 2 263.407 -0.050 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](C)[C@@H](CO)C1 ZINC000621373338 356273914 /nfs/dbraw/zinc/27/39/14/356273914.db2.gz GXIRCYCFIUMLFO-MJBXVCDLSA-N 2 2 274.405 -0.124 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](C)[C@@H](CO)C1 ZINC000621373338 356273919 /nfs/dbraw/zinc/27/39/19/356273919.db2.gz GXIRCYCFIUMLFO-MJBXVCDLSA-N 2 2 274.405 -0.124 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](C)[C@@H](CO)C1 ZINC000621373338 356273920 /nfs/dbraw/zinc/27/39/20/356273920.db2.gz GXIRCYCFIUMLFO-MJBXVCDLSA-N 2 2 274.405 -0.124 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](C)[C@@H](CO)C1 ZINC000621373338 356273924 /nfs/dbraw/zinc/27/39/24/356273924.db2.gz GXIRCYCFIUMLFO-MJBXVCDLSA-N 2 2 274.405 -0.124 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621682284 356280417 /nfs/dbraw/zinc/28/04/17/356280417.db2.gz CNLLWUCILZICFN-DOMZBBRYSA-N 2 2 296.415 -0.217 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621682284 356280420 /nfs/dbraw/zinc/28/04/20/356280420.db2.gz CNLLWUCILZICFN-DOMZBBRYSA-N 2 2 296.415 -0.217 20 0 CBADLP Cn1cc(C[N@@H+]2C[C@H]3CCC[C@]3([NH3+])C2)c(=O)n(C)c1=O ZINC000622004009 356298791 /nfs/dbraw/zinc/29/87/91/356298791.db2.gz ISMPMEJPGPLKGU-RISCZKNCSA-N 2 2 278.356 -0.603 20 0 CBADLP Cn1cc(C[N@H+]2C[C@H]3CCC[C@]3([NH3+])C2)c(=O)n(C)c1=O ZINC000622004009 356298795 /nfs/dbraw/zinc/29/87/95/356298795.db2.gz ISMPMEJPGPLKGU-RISCZKNCSA-N 2 2 278.356 -0.603 20 0 CBADLP C[NH+]1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000622031887 356302703 /nfs/dbraw/zinc/30/27/03/356302703.db2.gz VTCIJPHUOCMNJH-RISCZKNCSA-N 2 2 280.372 -0.900 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCC[NH+](CCCO)C2)C1 ZINC000622631171 356329202 /nfs/dbraw/zinc/32/92/02/356329202.db2.gz HXPYPJGMSPLEKD-STQMWFEESA-N 2 2 285.388 -0.720 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N[C@H]2CCC[NH+](CCCO)C2)C1 ZINC000622631171 356329205 /nfs/dbraw/zinc/32/92/05/356329205.db2.gz HXPYPJGMSPLEKD-STQMWFEESA-N 2 2 285.388 -0.720 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N[C@H]2CCC[N@H+](CCCO)C2)C1 ZINC000622631171 356329208 /nfs/dbraw/zinc/32/92/08/356329208.db2.gz HXPYPJGMSPLEKD-STQMWFEESA-N 2 2 285.388 -0.720 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N[C@H]2CCC[N@@H+](CCCO)C2)C1 ZINC000622631171 356329210 /nfs/dbraw/zinc/32/92/10/356329210.db2.gz HXPYPJGMSPLEKD-STQMWFEESA-N 2 2 285.388 -0.720 20 0 CBADLP COCC[N@H+](C)CCNC(=O)NC[C@@H]1COCC[NH+]1C ZINC000623571594 356368502 /nfs/dbraw/zinc/36/85/02/356368502.db2.gz BQENHQAHFSEPFR-GFCCVEGCSA-N 2 2 288.392 -0.806 20 0 CBADLP COCC[N@@H+](C)CCNC(=O)NC[C@@H]1COCC[NH+]1C ZINC000623571594 356368506 /nfs/dbraw/zinc/36/85/06/356368506.db2.gz BQENHQAHFSEPFR-GFCCVEGCSA-N 2 2 288.392 -0.806 20 0 CBADLP COCC[NH+](C)CCNC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000623571594 356368511 /nfs/dbraw/zinc/36/85/11/356368511.db2.gz BQENHQAHFSEPFR-GFCCVEGCSA-N 2 2 288.392 -0.806 20 0 CBADLP COCC[NH+](C)CCNC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000623571594 356368515 /nfs/dbraw/zinc/36/85/15/356368515.db2.gz BQENHQAHFSEPFR-GFCCVEGCSA-N 2 2 288.392 -0.806 20 0 CBADLP CN1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)[C@H](C[NH3+])C1 ZINC000623176507 356356828 /nfs/dbraw/zinc/35/68/28/356356828.db2.gz CHBKOTZSPTXEKY-VXGBXAGGSA-N 2 2 277.372 -0.453 20 0 CBADLP CN(CCN1CC[NH2+]CC1)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000623176375 356356946 /nfs/dbraw/zinc/35/69/46/356356946.db2.gz XSBFIKSOJKODSU-ZDUSSCGKSA-N 2 2 291.399 -0.191 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000623264566 356358242 /nfs/dbraw/zinc/35/82/42/356358242.db2.gz OSDBAEBHMQAAFT-GXSJLCMTSA-N 2 2 250.302 -0.745 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000623264566 356358245 /nfs/dbraw/zinc/35/82/45/356358245.db2.gz OSDBAEBHMQAAFT-GXSJLCMTSA-N 2 2 250.302 -0.745 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1 ZINC000623264568 356358596 /nfs/dbraw/zinc/35/85/96/356358596.db2.gz OSDBAEBHMQAAFT-MWLCHTKSSA-N 2 2 250.302 -0.745 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1 ZINC000623264568 356358597 /nfs/dbraw/zinc/35/85/97/356358597.db2.gz OSDBAEBHMQAAFT-MWLCHTKSSA-N 2 2 250.302 -0.745 20 0 CBADLP COc1nccc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)n1 ZINC000623619291 356369059 /nfs/dbraw/zinc/36/90/59/356369059.db2.gz AAIPWQZWLKSUIN-LBPRGKRZSA-N 2 2 293.371 -0.085 20 0 CBADLP COc1nccc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)n1 ZINC000623619291 356369062 /nfs/dbraw/zinc/36/90/62/356369062.db2.gz AAIPWQZWLKSUIN-LBPRGKRZSA-N 2 2 293.371 -0.085 20 0 CBADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1cn[nH]c1 ZINC000623618629 356369495 /nfs/dbraw/zinc/36/94/95/356369495.db2.gz YUWSAEXLOSJAKD-NSHDSACASA-N 2 2 251.334 -0.161 20 0 CBADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cn[nH]c1 ZINC000623618629 356369497 /nfs/dbraw/zinc/36/94/97/356369497.db2.gz YUWSAEXLOSJAKD-NSHDSACASA-N 2 2 251.334 -0.161 20 0 CBADLP C[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1COCC[NH+]1C ZINC000623716019 356371715 /nfs/dbraw/zinc/37/17/15/356371715.db2.gz DBMCMCDOOAVZGI-NEPJUHHUSA-N 2 2 270.377 -0.290 20 0 CBADLP C[N@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1COCC[NH+]1C ZINC000623716019 356371716 /nfs/dbraw/zinc/37/17/16/356371716.db2.gz DBMCMCDOOAVZGI-NEPJUHHUSA-N 2 2 270.377 -0.290 20 0 CBADLP C[NH+]1CCC[C@@H]1CNC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000623716019 356371717 /nfs/dbraw/zinc/37/17/17/356371717.db2.gz DBMCMCDOOAVZGI-NEPJUHHUSA-N 2 2 270.377 -0.290 20 0 CBADLP C[NH+]1CCC[C@@H]1CNC(=O)NC[C@H]1COCC[N@H+]1C ZINC000623716019 356371719 /nfs/dbraw/zinc/37/17/19/356371719.db2.gz DBMCMCDOOAVZGI-NEPJUHHUSA-N 2 2 270.377 -0.290 20 0 CBADLP C[C@H](CC[NH+](C)C)NC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000623720039 356372787 /nfs/dbraw/zinc/37/27/87/356372787.db2.gz SXWZOYSFKOHEJZ-NEPJUHHUSA-N 2 2 272.393 -0.044 20 0 CBADLP C[C@H](CC[NH+](C)C)NC(=O)NC[C@H]1COCC[N@H+]1C ZINC000623720039 356372791 /nfs/dbraw/zinc/37/27/91/356372791.db2.gz SXWZOYSFKOHEJZ-NEPJUHHUSA-N 2 2 272.393 -0.044 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CC[NH+](CCn2cncn2)CC1 ZINC000573976300 334982185 /nfs/dbraw/zinc/98/21/85/334982185.db2.gz MEHWIRRJLFYISQ-UHFFFAOYSA-N 2 2 289.343 -0.681 20 0 CBADLP CN(C)c1[nH+]cc(C[NH2+][C@@H]2CCOC[C@H]2O)n1C ZINC000623767445 356374963 /nfs/dbraw/zinc/37/49/63/356374963.db2.gz WEUNDYLCXWLKDN-GHMZBOCLSA-N 2 2 254.334 -0.275 20 0 CBADLP Nc1nc(N2CCC(n3cc[nH+]c3)CC2)nc(N)[nH+]1 ZINC000623910792 356382574 /nfs/dbraw/zinc/38/25/74/356382574.db2.gz BKNWUAHOBIKPRS-UHFFFAOYSA-N 2 2 260.305 -0.265 20 0 CBADLP C[C@H]1C[C@@H](N(C)c2nc(N)nc(N)[nH+]2)CC[N@@H+]1C ZINC000623991987 356386822 /nfs/dbraw/zinc/38/68/22/356386822.db2.gz YIDAIAWDPFAGMB-YUMQZZPRSA-N 2 2 251.338 -0.384 20 0 CBADLP C[C@H]1C[C@@H](N(C)c2nc(N)nc(N)[nH+]2)CC[N@H+]1C ZINC000623991987 356386825 /nfs/dbraw/zinc/38/68/25/356386825.db2.gz YIDAIAWDPFAGMB-YUMQZZPRSA-N 2 2 251.338 -0.384 20 0 CBADLP C[C@@H](CNC(=O)NC[C@@H]1COCC[N@@H+]1C)[NH+](C)C ZINC000624164968 356400555 /nfs/dbraw/zinc/40/05/55/356400555.db2.gz RKFLZYFTXWSKQP-WDEREUQCSA-N 2 2 258.366 -0.434 20 0 CBADLP C[C@@H](CNC(=O)NC[C@@H]1COCC[N@H+]1C)[NH+](C)C ZINC000624164968 356400558 /nfs/dbraw/zinc/40/05/58/356400558.db2.gz RKFLZYFTXWSKQP-WDEREUQCSA-N 2 2 258.366 -0.434 20 0 CBADLP Cn1cc[nH+]c1[C@H]1CCN(c2nc(N)[nH+]c(N)n2)C1 ZINC000624064606 356393217 /nfs/dbraw/zinc/39/32/17/356393217.db2.gz LQCIXGLPQCGNEZ-ZETCQYMHSA-N 2 2 260.305 -0.576 20 0 CBADLP Cn1cc[nH+]c1[C@H]1CCN(c2nc(N)nc(N)[nH+]2)C1 ZINC000624064606 356393221 /nfs/dbraw/zinc/39/32/21/356393221.db2.gz LQCIXGLPQCGNEZ-ZETCQYMHSA-N 2 2 260.305 -0.576 20 0 CBADLP C[NH+]1CCC(NC(=O)NC[C@@H]2COCC[N@@H+]2C)CC1 ZINC000623704977 356370976 /nfs/dbraw/zinc/37/09/76/356370976.db2.gz XGOIRCDUSVETRZ-GFCCVEGCSA-N 2 2 270.377 -0.290 20 0 CBADLP C[NH+]1CCC(NC(=O)NC[C@@H]2COCC[N@H+]2C)CC1 ZINC000623704977 356370978 /nfs/dbraw/zinc/37/09/78/356370978.db2.gz XGOIRCDUSVETRZ-GFCCVEGCSA-N 2 2 270.377 -0.290 20 0 CBADLP Nc1nc(N2CC[NH+](CCCF)CC2)nc(N)[nH+]1 ZINC000624335498 356412742 /nfs/dbraw/zinc/41/27/42/356412742.db2.gz TWBIFHYALWPRDR-UHFFFAOYSA-N 2 2 255.301 -0.822 20 0 CBADLP C[C@H](CNc1nc(N)[nH+]c(N)n1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000624373770 356415085 /nfs/dbraw/zinc/41/50/85/356415085.db2.gz ZIMQBURSLPQLEL-HLTSFMKQSA-N 2 2 281.364 -0.972 20 0 CBADLP C[C@H](CNc1nc(N)[nH+]c(N)n1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000624373770 356415087 /nfs/dbraw/zinc/41/50/87/356415087.db2.gz ZIMQBURSLPQLEL-HLTSFMKQSA-N 2 2 281.364 -0.972 20 0 CBADLP Nc1nc(NC[C@@H]2CC[N@@H+]2Cc2ccccc2)nc(N)[nH+]1 ZINC000624411195 356420935 /nfs/dbraw/zinc/42/09/35/356420935.db2.gz YTEDWDDVHLOAOL-NSHDSACASA-N 2 2 285.355 -0.195 20 0 CBADLP Nc1nc(NC[C@@H]2CC[N@H+]2Cc2ccccc2)nc(N)[nH+]1 ZINC000624411195 356420938 /nfs/dbraw/zinc/42/09/38/356420938.db2.gz YTEDWDDVHLOAOL-NSHDSACASA-N 2 2 285.355 -0.195 20 0 CBADLP O[C@@H]1CC[N@H+](CCNc2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000624678839 356431305 /nfs/dbraw/zinc/43/13/05/356431305.db2.gz RUKXSMVOIBGYKP-GFCCVEGCSA-N 2 2 293.371 -0.208 20 0 CBADLP O[C@@H]1CC[N@@H+](CCNc2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000624678839 356431310 /nfs/dbraw/zinc/43/13/10/356431310.db2.gz RUKXSMVOIBGYKP-GFCCVEGCSA-N 2 2 293.371 -0.208 20 0 CBADLP O[C@H]1CC[N@H+](CCNc2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000624774851 356438204 /nfs/dbraw/zinc/43/82/04/356438204.db2.gz RUKXSMVOIBGYKP-LBPRGKRZSA-N 2 2 293.371 -0.208 20 0 CBADLP O[C@H]1CC[N@@H+](CCNc2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000624774851 356438208 /nfs/dbraw/zinc/43/82/08/356438208.db2.gz RUKXSMVOIBGYKP-LBPRGKRZSA-N 2 2 293.371 -0.208 20 0 CBADLP OCCOCC[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000625544650 356474121 /nfs/dbraw/zinc/47/41/21/356474121.db2.gz UFPLEXTTZDCJRP-UHFFFAOYSA-N 2 2 258.362 -0.208 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H]3CCC[C@]3(CO)C2)CC1 ZINC000626012964 356501394 /nfs/dbraw/zinc/50/13/94/356501394.db2.gz NSDZUNIZTROZKY-DZGCQCFKSA-N 2 2 281.400 -0.145 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2C[C@@H]3CCC[C@]3(CO)C2)CC1 ZINC000626012964 356501397 /nfs/dbraw/zinc/50/13/97/356501397.db2.gz NSDZUNIZTROZKY-DZGCQCFKSA-N 2 2 281.400 -0.145 20 0 CBADLP CCN(CC[NH3+])C(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000626854676 356552744 /nfs/dbraw/zinc/55/27/44/356552744.db2.gz VFHOKKMKBPCPPV-UHFFFAOYSA-N 2 2 266.301 -0.164 20 0 CBADLP COc1cc[nH+]cc1NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000626909320 356555225 /nfs/dbraw/zinc/55/52/25/356555225.db2.gz LXIQBAXJJGKOIF-DTWKUNHWSA-N 2 2 278.312 -0.105 20 0 CBADLP C[NH2+]CCOCCNC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000626934586 356557276 /nfs/dbraw/zinc/55/72/76/356557276.db2.gz JBTBUUDNIYPEML-GFCCVEGCSA-N 2 2 288.392 -0.758 20 0 CBADLP O=C(NCCCCn1cc[nH+]c1)NC[C@@H]1COCC[NH2+]1 ZINC000626945450 356558909 /nfs/dbraw/zinc/55/89/09/356558909.db2.gz JDDLINJRQZADDE-GFCCVEGCSA-N 2 2 281.360 -0.049 20 0 CBADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000626975147 356561845 /nfs/dbraw/zinc/56/18/45/356561845.db2.gz QPRXUEJIBIJCPF-FRRDWIJNSA-N 2 2 283.420 -0.328 20 0 CBADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000626975147 356561849 /nfs/dbraw/zinc/56/18/49/356561849.db2.gz QPRXUEJIBIJCPF-FRRDWIJNSA-N 2 2 283.420 -0.328 20 0 CBADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000626970975 356562144 /nfs/dbraw/zinc/56/21/44/356562144.db2.gz XAGPKGAQSAJTNQ-GRYCIOLGSA-N 2 2 270.377 -0.243 20 0 CBADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000626970975 356562149 /nfs/dbraw/zinc/56/21/49/356562149.db2.gz XAGPKGAQSAJTNQ-GRYCIOLGSA-N 2 2 270.377 -0.243 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)NC[C@H]1CCC[NH2+]1 ZINC000627072811 356573336 /nfs/dbraw/zinc/57/33/36/356573336.db2.gz ADXLEYJEXUJMEW-MNOVXSKESA-N 2 2 256.350 -0.632 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)NC[C@H]1CCC[NH2+]1 ZINC000627072811 356573340 /nfs/dbraw/zinc/57/33/40/356573340.db2.gz ADXLEYJEXUJMEW-MNOVXSKESA-N 2 2 256.350 -0.632 20 0 CBADLP CC[NH2+]CCCNC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000627064724 356571418 /nfs/dbraw/zinc/57/14/18/356571418.db2.gz UJELBXCJAFQFDW-NSHDSACASA-N 2 2 258.366 -0.384 20 0 CBADLP CC[NH2+]CCCNC(=O)NC[C@H]1COCC[N@H+]1C ZINC000627064724 356571419 /nfs/dbraw/zinc/57/14/19/356571419.db2.gz UJELBXCJAFQFDW-NSHDSACASA-N 2 2 258.366 -0.384 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)NCCC[NH2+]C1CC1 ZINC000627063848 356571469 /nfs/dbraw/zinc/57/14/69/356571469.db2.gz LRYNRKMGLIXNQU-LBPRGKRZSA-N 2 2 270.377 -0.242 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)NCCC[NH2+]C1CC1 ZINC000627063848 356571471 /nfs/dbraw/zinc/57/14/71/356571471.db2.gz LRYNRKMGLIXNQU-LBPRGKRZSA-N 2 2 270.377 -0.242 20 0 CBADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000627157367 356590327 /nfs/dbraw/zinc/59/03/27/356590327.db2.gz SKEFZRJRDGKVBB-SDDRHHMPSA-N 2 2 270.377 -0.243 20 0 CBADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H]1COCC[N@H+]1C ZINC000627157367 356590329 /nfs/dbraw/zinc/59/03/29/356590329.db2.gz SKEFZRJRDGKVBB-SDDRHHMPSA-N 2 2 270.377 -0.243 20 0 CBADLP CC(C)[C@@H]([NH3+])CNC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000627076742 356575158 /nfs/dbraw/zinc/57/51/58/356575158.db2.gz HNIBERRYOKLBGC-MNOVXSKESA-N 2 2 258.366 -0.401 20 0 CBADLP CC(C)[C@@H]([NH3+])CNC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000627076742 356575162 /nfs/dbraw/zinc/57/51/62/356575162.db2.gz HNIBERRYOKLBGC-MNOVXSKESA-N 2 2 258.366 -0.401 20 0 CBADLP CC(C)[C@H]([NH3+])CNC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000627076741 356575454 /nfs/dbraw/zinc/57/54/54/356575454.db2.gz HNIBERRYOKLBGC-GHMZBOCLSA-N 2 2 258.366 -0.401 20 0 CBADLP CC(C)[C@H]([NH3+])CNC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000627076741 356575460 /nfs/dbraw/zinc/57/54/60/356575460.db2.gz HNIBERRYOKLBGC-GHMZBOCLSA-N 2 2 258.366 -0.401 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N[C@H](C[NH3+])C1CC1 ZINC000627079732 356576738 /nfs/dbraw/zinc/57/67/38/356576738.db2.gz XBBDEUAZTJIKGH-WDEREUQCSA-N 2 2 256.350 -0.647 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N[C@H](C[NH3+])C1CC1 ZINC000627079732 356576741 /nfs/dbraw/zinc/57/67/41/356576741.db2.gz XBBDEUAZTJIKGH-WDEREUQCSA-N 2 2 256.350 -0.647 20 0 CBADLP CCC[NH2+]CCNC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000627080473 356577419 /nfs/dbraw/zinc/57/74/19/356577419.db2.gz AXDCRXMJGKRLPC-LLVKDONJSA-N 2 2 258.366 -0.384 20 0 CBADLP CCC[NH2+]CCNC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000627080473 356577423 /nfs/dbraw/zinc/57/74/23/356577423.db2.gz AXDCRXMJGKRLPC-LLVKDONJSA-N 2 2 258.366 -0.384 20 0 CBADLP CC(C)C[C@@H](C[NH3+])NC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000627080607 356577517 /nfs/dbraw/zinc/57/75/17/356577517.db2.gz MBFOFPLNDPVYBE-NWDGAFQWSA-N 2 2 272.393 -0.010 20 0 CBADLP CC(C)C[C@@H](C[NH3+])NC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000627080607 356577520 /nfs/dbraw/zinc/57/75/20/356577520.db2.gz MBFOFPLNDPVYBE-NWDGAFQWSA-N 2 2 272.393 -0.010 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)NC[C@H]([NH3+])C1CC1 ZINC000627083027 356578378 /nfs/dbraw/zinc/57/83/78/356578378.db2.gz NKLOEWIRDXJURF-MNOVXSKESA-N 2 2 256.350 -0.647 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)NC[C@H]([NH3+])C1CC1 ZINC000627083027 356578379 /nfs/dbraw/zinc/57/83/79/356578379.db2.gz NKLOEWIRDXJURF-MNOVXSKESA-N 2 2 256.350 -0.647 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)N[C@H](CC[NH3+])C(F)F ZINC000627099473 356582716 /nfs/dbraw/zinc/58/27/16/356582716.db2.gz RRNIGTUDEZEMAD-RKDXNWHRSA-N 2 2 280.319 -0.401 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)N[C@H](CC[NH3+])C(F)F ZINC000627099473 356582718 /nfs/dbraw/zinc/58/27/18/356582718.db2.gz RRNIGTUDEZEMAD-RKDXNWHRSA-N 2 2 280.319 -0.401 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)NCCC1(C[NH3+])CC1 ZINC000627109032 356584814 /nfs/dbraw/zinc/58/48/14/356584814.db2.gz BFVSQYVIYGGFIR-NSHDSACASA-N 2 2 270.377 -0.255 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)NCCC1(C[NH3+])CC1 ZINC000627109032 356584820 /nfs/dbraw/zinc/58/48/20/356584820.db2.gz BFVSQYVIYGGFIR-NSHDSACASA-N 2 2 270.377 -0.255 20 0 CBADLP C[C@H](NC(=O)NC[C@@H]1COCC[NH2+]1)c1[nH+]ccn1C ZINC000627116944 356586449 /nfs/dbraw/zinc/58/64/49/356586449.db2.gz BMWWKOGECHWIPV-VHSXEESVSA-N 2 2 267.333 -0.231 20 0 CBADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CO[C@H](C3CC3)C2)[C@H](C[NH3+])C1 ZINC000627223241 356608718 /nfs/dbraw/zinc/60/87/18/356608718.db2.gz LWLDDSVXQWHEOK-XQQFMLRXSA-N 2 2 282.388 -0.162 20 0 CBADLP C[N@H+]1CCN(C(=O)N[C@@H]2CO[C@H](C3CC3)C2)[C@H](C[NH3+])C1 ZINC000627223241 356608721 /nfs/dbraw/zinc/60/87/21/356608721.db2.gz LWLDDSVXQWHEOK-XQQFMLRXSA-N 2 2 282.388 -0.162 20 0 CBADLP C[C@@H]1[NH2+]CCN(C(=O)NC[C@@H]2COCC[N@@H+]2C)[C@H]1C ZINC000627182663 356595389 /nfs/dbraw/zinc/59/53/89/356595389.db2.gz BNAYDCBYAZWBBS-SDDRHHMPSA-N 2 2 270.377 -0.291 20 0 CBADLP C[C@@H]1[NH2+]CCN(C(=O)NC[C@@H]2COCC[N@H+]2C)[C@H]1C ZINC000627182663 356595392 /nfs/dbraw/zinc/59/53/92/356595392.db2.gz BNAYDCBYAZWBBS-SDDRHHMPSA-N 2 2 270.377 -0.291 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000627183278 356596073 /nfs/dbraw/zinc/59/60/73/356596073.db2.gz QSRHLWCZJCQZDO-HBNTYKKESA-N 2 2 274.340 -0.602 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000627183278 356596078 /nfs/dbraw/zinc/59/60/78/356596078.db2.gz QSRHLWCZJCQZDO-HBNTYKKESA-N 2 2 274.340 -0.602 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CCC([NH3+])CC1 ZINC000627183500 356596174 /nfs/dbraw/zinc/59/61/74/356596174.db2.gz LFCUTRVUTBMPSS-NSHDSACASA-N 2 2 256.350 -0.550 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N1CCC([NH3+])CC1 ZINC000627183500 356596179 /nfs/dbraw/zinc/59/61/79/356596179.db2.gz LFCUTRVUTBMPSS-NSHDSACASA-N 2 2 256.350 -0.550 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000627183206 356596286 /nfs/dbraw/zinc/59/62/86/356596286.db2.gz PBMGBVHJYBLUOW-YUELXQCFSA-N 2 2 296.415 -0.042 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000627183206 356596292 /nfs/dbraw/zinc/59/62/92/356596292.db2.gz PBMGBVHJYBLUOW-YUELXQCFSA-N 2 2 296.415 -0.042 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000627183281 356596569 /nfs/dbraw/zinc/59/65/69/356596569.db2.gz JJDAKWXJBAVIHY-AVGNSLFASA-N 2 2 282.388 -0.290 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000627183281 356596572 /nfs/dbraw/zinc/59/65/72/356596572.db2.gz JJDAKWXJBAVIHY-AVGNSLFASA-N 2 2 282.388 -0.290 20 0 CBADLP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000627183720 356596614 /nfs/dbraw/zinc/59/66/14/356596614.db2.gz WYIAFGWEYLXYDL-DCAQKATOSA-N 2 2 256.350 -0.552 20 0 CBADLP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NC[C@H]1COCC[N@H+]1C ZINC000627183720 356596617 /nfs/dbraw/zinc/59/66/17/356596617.db2.gz WYIAFGWEYLXYDL-DCAQKATOSA-N 2 2 256.350 -0.552 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000627183445 356596809 /nfs/dbraw/zinc/59/68/09/356596809.db2.gz KGYPTZCIXXZALJ-JSGCOSHPSA-N 2 2 282.388 -0.288 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000627183445 356596810 /nfs/dbraw/zinc/59/68/10/356596810.db2.gz KGYPTZCIXXZALJ-JSGCOSHPSA-N 2 2 282.388 -0.288 20 0 CBADLP C[NH2+]C[C@H]1CCCN1C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000627182989 356596812 /nfs/dbraw/zinc/59/68/12/356596812.db2.gz GHWBCWUEQQFDAY-NEPJUHHUSA-N 2 2 270.377 -0.290 20 0 CBADLP C[NH2+]C[C@H]1CCCN1C(=O)NC[C@H]1COCC[N@H+]1C ZINC000627182989 356596813 /nfs/dbraw/zinc/59/68/13/356596813.db2.gz GHWBCWUEQQFDAY-NEPJUHHUSA-N 2 2 270.377 -0.290 20 0 CBADLP C[NH2+]C[C@@H]1CCCN(C(=O)NC[C@@H]2COCC[N@@H+]2C)C1 ZINC000627184342 356597652 /nfs/dbraw/zinc/59/76/52/356597652.db2.gz VQYGKJDVEAZRCP-QWHCGFSZSA-N 2 2 284.404 -0.042 20 0 CBADLP C[NH2+]C[C@@H]1CCCN(C(=O)NC[C@@H]2COCC[N@H+]2C)C1 ZINC000627184342 356597655 /nfs/dbraw/zinc/59/76/55/356597655.db2.gz VQYGKJDVEAZRCP-QWHCGFSZSA-N 2 2 284.404 -0.042 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000627184210 356597698 /nfs/dbraw/zinc/59/76/98/356597698.db2.gz UHXKEHWBRAWSIJ-RWMBFGLXSA-N 2 2 282.388 -0.290 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000627184210 356597701 /nfs/dbraw/zinc/59/77/01/356597701.db2.gz UHXKEHWBRAWSIJ-RWMBFGLXSA-N 2 2 282.388 -0.290 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000627184015 356597895 /nfs/dbraw/zinc/59/78/95/356597895.db2.gz QNQVPLNMDCGWBJ-CHWSQXEVSA-N 2 2 282.388 -0.147 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000627184015 356597896 /nfs/dbraw/zinc/59/78/96/356597896.db2.gz QNQVPLNMDCGWBJ-CHWSQXEVSA-N 2 2 282.388 -0.147 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000417040785 295929471 /nfs/dbraw/zinc/92/94/71/295929471.db2.gz VWUSRBVPGKMXEI-UWVGGRQHSA-N 2 2 294.346 -0.011 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627385862 356635903 /nfs/dbraw/zinc/63/59/03/356635903.db2.gz YZAHMDVZJSKIAB-GRYCIOLGSA-N 2 2 293.371 -0.356 20 0 CBADLP C[C@H]1CC[C@H](NC(=O)C(=O)NCCc2cn(C)c[nH+]2)C[NH2+]1 ZINC000627307635 356623438 /nfs/dbraw/zinc/62/34/38/356623438.db2.gz RXNARHUMPRPDIZ-QWRGUYRKSA-N 2 2 293.371 -0.665 20 0 CBADLP CCN(CC[NH3+])C(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000627390303 356638080 /nfs/dbraw/zinc/63/80/80/356638080.db2.gz JFMRGPANLJIBBX-UHFFFAOYSA-N 2 2 267.333 -0.803 20 0 CBADLP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000627505043 356660502 /nfs/dbraw/zinc/66/05/02/356660502.db2.gz STZCBEQONYKHOQ-LLVKDONJSA-N 2 2 291.355 -0.406 20 0 CBADLP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000627505043 356660506 /nfs/dbraw/zinc/66/05/06/356660506.db2.gz STZCBEQONYKHOQ-LLVKDONJSA-N 2 2 291.355 -0.406 20 0 CBADLP CNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000420357503 290500133 /nfs/dbraw/zinc/50/01/33/290500133.db2.gz DQXPJRMOHZFOTO-QCLAVDOMSA-N 2 2 256.350 -0.193 20 0 CBADLP C[NH+](C)CC(=O)N[C@@H]1CCCN(C(=O)C[NH+](C)C)C1 ZINC000628215489 356691458 /nfs/dbraw/zinc/69/14/58/356691458.db2.gz KSPYHZGEZWVNBS-LLVKDONJSA-N 2 2 270.377 -0.783 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC[C@H]1COCC[N@H+]1C ZINC000628913167 356736759 /nfs/dbraw/zinc/73/67/59/356736759.db2.gz KGKOZNFKKMFTMF-NSHDSACASA-N 2 2 252.318 -0.362 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628913167 356736762 /nfs/dbraw/zinc/73/67/62/356736762.db2.gz KGKOZNFKKMFTMF-NSHDSACASA-N 2 2 252.318 -0.362 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628918009 356740840 /nfs/dbraw/zinc/74/08/40/356740840.db2.gz MVHXOGSGUQDQIW-CHWSQXEVSA-N 2 2 285.388 -0.599 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628918009 356740843 /nfs/dbraw/zinc/74/08/43/356740843.db2.gz MVHXOGSGUQDQIW-CHWSQXEVSA-N 2 2 285.388 -0.599 20 0 CBADLP C[NH+](C)CC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000628577429 356713291 /nfs/dbraw/zinc/71/32/91/356713291.db2.gz PVLBZSHVTDSWHQ-CQSZACIVSA-N 2 2 285.388 -0.720 20 0 CBADLP C[NH+](C)CC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000628577429 356713292 /nfs/dbraw/zinc/71/32/92/356713292.db2.gz PVLBZSHVTDSWHQ-CQSZACIVSA-N 2 2 285.388 -0.720 20 0 CBADLP O=C(C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1)N1CCOCC1 ZINC000629537145 356777405 /nfs/dbraw/zinc/77/74/05/356777405.db2.gz MONVESVCGFUETQ-CQSZACIVSA-N 2 2 267.373 -0.079 20 0 CBADLP O=C(C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)N1CCOCC1 ZINC000629537145 356777407 /nfs/dbraw/zinc/77/74/07/356777407.db2.gz MONVESVCGFUETQ-CQSZACIVSA-N 2 2 267.373 -0.079 20 0 CBADLP CN(C)S(=O)(=O)CC[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000629537613 356777759 /nfs/dbraw/zinc/77/77/59/356777759.db2.gz IEFXZLSHRDDEKY-UHFFFAOYSA-N 2 2 261.391 -0.294 20 0 CBADLP c1cnc(N2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)nn1 ZINC000629552906 356778081 /nfs/dbraw/zinc/77/80/81/356778081.db2.gz SATDPEJTEPVGOA-LBPRGKRZSA-N 2 2 262.361 -0.007 20 0 CBADLP C[C@H]([C@H]1CCC[NH2+]C1)[N@@H+]1CCO[C@H](CC(N)=O)C1 ZINC000629547578 356778091 /nfs/dbraw/zinc/77/80/91/356778091.db2.gz UNKYQBYJNCZFBC-GRYCIOLGSA-N 2 2 255.362 -0.049 20 0 CBADLP C[C@H]([C@H]1CCC[NH2+]C1)[N@H+]1CCO[C@H](CC(N)=O)C1 ZINC000629547578 356778094 /nfs/dbraw/zinc/77/80/94/356778094.db2.gz UNKYQBYJNCZFBC-GRYCIOLGSA-N 2 2 255.362 -0.049 20 0 CBADLP CNC(=O)NC[C@@H]1C[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000629554161 356778312 /nfs/dbraw/zinc/77/83/12/356778312.db2.gz BHCBWKVBEIGGIG-VXGBXAGGSA-N 2 2 298.387 -0.863 20 0 CBADLP C[C@H]1CC[C@@H]([NH2+]Cc2cn(C)c(=O)n(C)c2=O)C[NH2+]1 ZINC000629394476 356770397 /nfs/dbraw/zinc/77/03/97/356770397.db2.gz IQHXOWNAWSSOLI-GXSJLCMTSA-N 2 2 266.345 -0.686 20 0 CBADLP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1cccnc1N ZINC000629508576 356774734 /nfs/dbraw/zinc/77/47/34/356774734.db2.gz WEQWYCYNSHKOMX-UHFFFAOYSA-N 2 2 263.345 -0.473 20 0 CBADLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1cccnc1N ZINC000629508576 356774740 /nfs/dbraw/zinc/77/47/40/356774740.db2.gz WEQWYCYNSHKOMX-UHFFFAOYSA-N 2 2 263.345 -0.473 20 0 CBADLP CC(C)[C@](C)(C[NH3+])[NH2+]CCS(=O)(=O)N(C)C ZINC000629515269 356775543 /nfs/dbraw/zinc/77/55/43/356775543.db2.gz RKIBNCRQGIQKRV-JTQLQIEISA-N 2 2 251.396 -0.159 20 0 CBADLP C[C@]1(C[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)CC[NH2+]C1 ZINC000629652263 356788721 /nfs/dbraw/zinc/78/87/21/356788721.db2.gz FHNBGPWYWFNFMJ-LBPRGKRZSA-N 3 2 251.334 -0.270 20 0 CBADLP O=C(NCC[N@H+]1CC[C@H](O)C1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000629912860 356805498 /nfs/dbraw/zinc/80/54/98/356805498.db2.gz OPGDSHZXWCXNHE-NEPJUHHUSA-N 2 2 278.356 -0.372 20 0 CBADLP O=C(NCC[N@@H+]1CC[C@H](O)C1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000629912860 356805503 /nfs/dbraw/zinc/80/55/03/356805503.db2.gz OPGDSHZXWCXNHE-NEPJUHHUSA-N 2 2 278.356 -0.372 20 0 CBADLP O=C(Cn1c[nH+]c2c1CCCC2)NCC[N@H+]1CC[C@H](O)C1 ZINC000629916247 356807922 /nfs/dbraw/zinc/80/79/22/356807922.db2.gz USJPGWBWRBUYEO-LBPRGKRZSA-N 2 2 292.383 -0.055 20 0 CBADLP O=C(Cn1c[nH+]c2c1CCCC2)NCC[N@@H+]1CC[C@H](O)C1 ZINC000629916247 356807928 /nfs/dbraw/zinc/80/79/28/356807928.db2.gz USJPGWBWRBUYEO-LBPRGKRZSA-N 2 2 292.383 -0.055 20 0 CBADLP CCN1CC[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)C1=O ZINC000629581392 356782430 /nfs/dbraw/zinc/78/24/30/356782430.db2.gz YYYFCURZOYTNTI-NWDGAFQWSA-N 2 2 255.362 -0.347 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)CCOCC[NH3+])CC1 ZINC000629578538 356782559 /nfs/dbraw/zinc/78/25/59/356782559.db2.gz QJWYSIYKDDGPHL-CYBMUJFWSA-N 3 2 286.420 -0.554 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)CCOCC[NH3+])CC1 ZINC000629578538 356782563 /nfs/dbraw/zinc/78/25/63/356782563.db2.gz QJWYSIYKDDGPHL-CYBMUJFWSA-N 3 2 286.420 -0.554 20 0 CBADLP Cc1cc(NC(=O)C[N@H+](C)CCOCC[NH3+])on1 ZINC000629580180 356782766 /nfs/dbraw/zinc/78/27/66/356782766.db2.gz UBYTYNSZDXBRLT-UHFFFAOYSA-N 2 2 256.306 -0.171 20 0 CBADLP Cc1cc(NC(=O)C[N@@H+](C)CCOCC[NH3+])on1 ZINC000629580180 356782768 /nfs/dbraw/zinc/78/27/68/356782768.db2.gz UBYTYNSZDXBRLT-UHFFFAOYSA-N 2 2 256.306 -0.171 20 0 CBADLP O[C@H](C[NH2+]CCC[NH+]1CCC(O)CC1)C[NH+]1CCCC1 ZINC000629582390 356784032 /nfs/dbraw/zinc/78/40/32/356784032.db2.gz BMYDJXUIZLLODP-OAHLLOKOSA-N 3 2 285.432 -0.121 20 0 CBADLP CNS(=O)(=O)C[C@@H]1CCC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000629595769 356785040 /nfs/dbraw/zinc/78/50/40/356785040.db2.gz XDJSDCQVGMODFG-NEPJUHHUSA-N 2 2 291.417 -0.764 20 0 CBADLP CNS(=O)(=O)C[C@@H]1CCC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000629595769 356785043 /nfs/dbraw/zinc/78/50/43/356785043.db2.gz XDJSDCQVGMODFG-NEPJUHHUSA-N 2 2 291.417 -0.764 20 0 CBADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]CC1(O)CCC1 ZINC000629606038 356785775 /nfs/dbraw/zinc/78/57/75/356785775.db2.gz MOJPFGXCVKRCEO-NSHDSACASA-N 2 2 255.362 -0.169 20 0 CBADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]CC1(O)CCC1 ZINC000629606038 356785777 /nfs/dbraw/zinc/78/57/77/356785777.db2.gz MOJPFGXCVKRCEO-NSHDSACASA-N 2 2 255.362 -0.169 20 0 CBADLP C[N@H+](C[C@@H](O)C[NH2+]CCN1CC[C@@H](O)C1)C1CC1 ZINC000629607373 356785841 /nfs/dbraw/zinc/78/58/41/356785841.db2.gz RWEAJSWVRXJDID-OLZOCXBDSA-N 2 2 257.378 -0.902 20 0 CBADLP C[N@@H+](C[C@@H](O)C[NH2+]CCN1CC[C@@H](O)C1)C1CC1 ZINC000629607373 356785843 /nfs/dbraw/zinc/78/58/43/356785843.db2.gz RWEAJSWVRXJDID-OLZOCXBDSA-N 2 2 257.378 -0.902 20 0 CBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000629607114 356786269 /nfs/dbraw/zinc/78/62/69/356786269.db2.gz PFHPGANQHYWOAC-MELADBBJSA-N 2 2 299.415 -0.345 20 0 CBADLP O[C@@H](C[NH2+]CCN1CC[C@@H](O)C1)C[NH+]1CCCC1 ZINC000629606766 356786381 /nfs/dbraw/zinc/78/63/81/356786381.db2.gz MHMUBMLGJGHFEO-OLZOCXBDSA-N 2 2 257.378 -0.901 20 0 CBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C[C@H]1CCC[NH2+]1 ZINC000629607551 356786750 /nfs/dbraw/zinc/78/67/50/356786750.db2.gz WFTMUBPAEFGNEL-CHWSQXEVSA-N 2 2 285.388 -0.720 20 0 CBADLP C[C@@H]([NH3+])CCC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000629607492 356786939 /nfs/dbraw/zinc/78/69/39/356786939.db2.gz UUHRLFJKLKJRPP-VXGBXAGGSA-N 2 2 273.377 -0.735 20 0 CBADLP O=C(NCC[NH+]1CCOCC1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000631000641 356872081 /nfs/dbraw/zinc/87/20/81/356872081.db2.gz HSRXZAKMWDPEJV-TXEJJXNPSA-N 2 2 268.361 -0.536 20 0 CBADLP C[C@H]1C[C@@H]([NH3+])CN1C(=O)NCC[NH+]1CCOCC1 ZINC000631000655 356872335 /nfs/dbraw/zinc/87/23/35/356872335.db2.gz HZNUYVDCXVGZDN-WDEREUQCSA-N 2 2 256.350 -0.550 20 0 CBADLP O=C(NCC[NH+]1CCOCC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000631000194 356872509 /nfs/dbraw/zinc/87/25/09/356872509.db2.gz BRDMFVDGDDFALQ-QWRGUYRKSA-N 2 2 254.334 -0.926 20 0 CBADLP CO[C@@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)[C@](C)(C[NH3+])C1 ZINC000630368613 356839437 /nfs/dbraw/zinc/83/94/37/356839437.db2.gz SDLVJZATKQCEJE-ZFWWWQNUSA-N 3 2 298.431 -0.411 20 0 CBADLP CO[C@@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)[C@](C)(C[NH3+])C1 ZINC000630368613 356839439 /nfs/dbraw/zinc/83/94/39/356839439.db2.gz SDLVJZATKQCEJE-ZFWWWQNUSA-N 3 2 298.431 -0.411 20 0 CBADLP CO[C@@H]1CN(CCC(=O)N2CC[NH+](C)CC2)[C@](C)(C[NH3+])C1 ZINC000630368613 356839443 /nfs/dbraw/zinc/83/94/43/356839443.db2.gz SDLVJZATKQCEJE-ZFWWWQNUSA-N 2 2 298.431 -0.411 20 0 CBADLP C[N@H+](CCO)Cc1cn(CC[NH+]2CCCC2)nn1 ZINC000630619394 356856205 /nfs/dbraw/zinc/85/62/05/356856205.db2.gz OTFCWDGLWQVOBE-UHFFFAOYSA-N 2 2 253.350 -0.202 20 0 CBADLP C[N@@H+](CCO)Cc1cn(CC[NH+]2CCCC2)nn1 ZINC000630619394 356856211 /nfs/dbraw/zinc/85/62/11/356856211.db2.gz OTFCWDGLWQVOBE-UHFFFAOYSA-N 2 2 253.350 -0.202 20 0 CBADLP COCC[N@H+](C)Cc1cn(C[C@@H]2C[NH2+]CCO2)nn1 ZINC000630617246 356856574 /nfs/dbraw/zinc/85/65/74/356856574.db2.gz RHLQYIBFFISNPY-LBPRGKRZSA-N 2 2 269.349 -0.655 20 0 CBADLP COCC[N@@H+](C)Cc1cn(C[C@@H]2C[NH2+]CCO2)nn1 ZINC000630617246 356856575 /nfs/dbraw/zinc/85/65/75/356856575.db2.gz RHLQYIBFFISNPY-LBPRGKRZSA-N 2 2 269.349 -0.655 20 0 CBADLP C[NH+]1CCC[C@H](NS(=O)(=O)C[C@H]2C[N@H+](C)CCO2)C1 ZINC000631784567 356906674 /nfs/dbraw/zinc/90/66/74/356906674.db2.gz ZHHYEOWBXUUNDF-NWDGAFQWSA-N 2 2 291.417 -0.669 20 0 CBADLP C[NH+]1CCC[C@H](NS(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)C1 ZINC000631784567 356906678 /nfs/dbraw/zinc/90/66/78/356906678.db2.gz ZHHYEOWBXUUNDF-NWDGAFQWSA-N 2 2 291.417 -0.669 20 0 CBADLP C[NH+]1CCO[C@@H](CS(=O)(=O)N[C@H]2CCC[N@H+](C)C2)C1 ZINC000631784567 356906681 /nfs/dbraw/zinc/90/66/81/356906681.db2.gz ZHHYEOWBXUUNDF-NWDGAFQWSA-N 2 2 291.417 -0.669 20 0 CBADLP C[NH+]1CCO[C@@H](CS(=O)(=O)N[C@H]2CCC[N@@H+](C)C2)C1 ZINC000631784567 356906685 /nfs/dbraw/zinc/90/66/85/356906685.db2.gz ZHHYEOWBXUUNDF-NWDGAFQWSA-N 2 2 291.417 -0.669 20 0 CBADLP C[NH+]1CCC[C@H](NS(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)C1 ZINC000631784568 356907006 /nfs/dbraw/zinc/90/70/06/356907006.db2.gz ZHHYEOWBXUUNDF-RYUDHWBXSA-N 2 2 291.417 -0.669 20 0 CBADLP C[NH+]1CCC[C@H](NS(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000631784568 356907008 /nfs/dbraw/zinc/90/70/08/356907008.db2.gz ZHHYEOWBXUUNDF-RYUDHWBXSA-N 2 2 291.417 -0.669 20 0 CBADLP C[NH+]1CCO[C@H](CS(=O)(=O)N[C@H]2CCC[N@H+](C)C2)C1 ZINC000631784568 356907010 /nfs/dbraw/zinc/90/70/10/356907010.db2.gz ZHHYEOWBXUUNDF-RYUDHWBXSA-N 2 2 291.417 -0.669 20 0 CBADLP C[NH+]1CCO[C@H](CS(=O)(=O)N[C@H]2CCC[N@@H+](C)C2)C1 ZINC000631784568 356907012 /nfs/dbraw/zinc/90/70/12/356907012.db2.gz ZHHYEOWBXUUNDF-RYUDHWBXSA-N 2 2 291.417 -0.669 20 0 CBADLP CCCNC(=O)[C@H](C)[NH+]1CCC([NH2+]CCO)CC1 ZINC000631864730 356913638 /nfs/dbraw/zinc/91/36/38/356913638.db2.gz SNZFFSRHYSMQGW-NSHDSACASA-N 2 2 257.378 -0.053 20 0 CBADLP O=C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)N1CCNC(=O)C1 ZINC000631887952 356916250 /nfs/dbraw/zinc/91/62/50/356916250.db2.gz VLUBTJIEPKETQB-VXGBXAGGSA-N 2 2 280.372 -0.981 20 0 CBADLP O=C(C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)N1CCNC(=O)C1 ZINC000631887952 356916257 /nfs/dbraw/zinc/91/62/57/356916257.db2.gz VLUBTJIEPKETQB-VXGBXAGGSA-N 2 2 280.372 -0.981 20 0 CBADLP CN(C1CC[NH2+]CC1)S(=O)(=O)NCC(F)(F)C[NH3+] ZINC000631929840 356925398 /nfs/dbraw/zinc/92/53/98/356925398.db2.gz PETVCXHHVQIASD-UHFFFAOYSA-N 2 2 286.348 -0.901 20 0 CBADLP O[C@@H]1COC[C@@H]1[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000631673047 356900277 /nfs/dbraw/zinc/90/02/77/356900277.db2.gz FRBLQUPJNHADMS-HZSPNIEDSA-N 2 2 270.373 -0.021 20 0 CBADLP C[C@H](CNS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1)C[NH+](C)C ZINC000632358860 356977196 /nfs/dbraw/zinc/97/71/96/356977196.db2.gz ZRXXLZJCMDJIBM-NEPJUHHUSA-N 2 2 293.433 -0.566 20 0 CBADLP C[C@H](CNS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1)C[NH+](C)C ZINC000632358860 356977199 /nfs/dbraw/zinc/97/71/99/356977199.db2.gz ZRXXLZJCMDJIBM-NEPJUHHUSA-N 2 2 293.433 -0.566 20 0 CBADLP C[C@@H](CNS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1)C[NH+](C)C ZINC000632358862 356977526 /nfs/dbraw/zinc/97/75/26/356977526.db2.gz ZRXXLZJCMDJIBM-RYUDHWBXSA-N 2 2 293.433 -0.566 20 0 CBADLP C[C@@H](CNS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1)C[NH+](C)C ZINC000632358862 356977527 /nfs/dbraw/zinc/97/75/27/356977527.db2.gz ZRXXLZJCMDJIBM-RYUDHWBXSA-N 2 2 293.433 -0.566 20 0 CBADLP C[C@H]1C[N@H+](CCO)CCN1S(=O)(=O)CCC[NH+](C)C ZINC000632429406 356987200 /nfs/dbraw/zinc/98/72/00/356987200.db2.gz JFXSQKPVDDRCBQ-LBPRGKRZSA-N 2 2 293.433 -0.734 20 0 CBADLP C[C@H]1C[N@@H+](CCO)CCN1S(=O)(=O)CCC[NH+](C)C ZINC000632429406 356987203 /nfs/dbraw/zinc/98/72/03/356987203.db2.gz JFXSQKPVDDRCBQ-LBPRGKRZSA-N 2 2 293.433 -0.734 20 0 CBADLP C[N@@H+]1CC[C@@H](CNS(=O)(=O)C[C@H]2C[NH+](C)CCO2)C1 ZINC000632431278 356987892 /nfs/dbraw/zinc/98/78/92/356987892.db2.gz ZEQWQNHCFDQYEX-NWDGAFQWSA-N 2 2 291.417 -0.812 20 0 CBADLP C[N@H+]1CC[C@@H](CNS(=O)(=O)C[C@H]2C[NH+](C)CCO2)C1 ZINC000632431278 356987895 /nfs/dbraw/zinc/98/78/95/356987895.db2.gz ZEQWQNHCFDQYEX-NWDGAFQWSA-N 2 2 291.417 -0.812 20 0 CBADLP C[NH+]1CC[C@@H](CNS(=O)(=O)C[C@H]2C[N@H+](C)CCO2)C1 ZINC000632431278 356987900 /nfs/dbraw/zinc/98/79/00/356987900.db2.gz ZEQWQNHCFDQYEX-NWDGAFQWSA-N 2 2 291.417 -0.812 20 0 CBADLP C[NH+]1CC[C@@H](CNS(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)C1 ZINC000632431278 356987903 /nfs/dbraw/zinc/98/79/03/356987903.db2.gz ZEQWQNHCFDQYEX-NWDGAFQWSA-N 2 2 291.417 -0.812 20 0 CBADLP C[NH+](C)CC(C)(C)NS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000632431648 356988068 /nfs/dbraw/zinc/98/80/68/356988068.db2.gz NILKCHGHPVAULJ-NSHDSACASA-N 2 2 293.433 -0.423 20 0 CBADLP C[NH+](C)CC(C)(C)NS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000632431648 356988071 /nfs/dbraw/zinc/98/80/71/356988071.db2.gz NILKCHGHPVAULJ-NSHDSACASA-N 2 2 293.433 -0.423 20 0 CBADLP CN(CC[NH+]1CCCC1)C(=O)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000632475575 356994026 /nfs/dbraw/zinc/99/40/26/356994026.db2.gz DETIVQNDNQNPLR-UHFFFAOYSA-N 2 2 293.371 -0.078 20 0 CBADLP C[NH+](C)CCCS(=O)(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000632512030 356997750 /nfs/dbraw/zinc/99/77/50/356997750.db2.gz CIPIVVZQICRCTL-GFCCVEGCSA-N 2 2 291.417 -0.981 20 0 CBADLP C[NH+](C)CCCS(=O)(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000632512030 356997752 /nfs/dbraw/zinc/99/77/52/356997752.db2.gz CIPIVVZQICRCTL-GFCCVEGCSA-N 2 2 291.417 -0.981 20 0 CBADLP O=C(Nc1ccc2[nH+]ccn2c1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633022740 357036382 /nfs/dbraw/zinc/03/63/82/357036382.db2.gz CZPMKJPLDNPNLV-QWRGUYRKSA-N 2 2 285.307 -0.155 20 0 CBADLP COc1cc[nH+]cc1NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633028737 357037222 /nfs/dbraw/zinc/03/72/22/357037222.db2.gz UUCZNOUCZQWKQJ-IUCAKERBSA-N 2 2 276.296 -0.399 20 0 CBADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000633104317 357045975 /nfs/dbraw/zinc/04/59/75/357045975.db2.gz AEIZOTREFSIAGD-MNOVXSKESA-N 2 2 291.355 -0.422 20 0 CBADLP C[C@H]1CCCN(C(=O)C(=O)N(C)Cc2[nH]cc[nH+]2)[C@H]1C[NH3+] ZINC000633106534 357046962 /nfs/dbraw/zinc/04/69/62/357046962.db2.gz UNENTUVUZCKCJA-QWRGUYRKSA-N 2 2 293.371 -0.046 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2C[C@@H]([NH3+])C[C@H]2C)CC1 ZINC000633116149 357049414 /nfs/dbraw/zinc/04/94/14/357049414.db2.gz PNOVWNVXZIHWNS-MNOVXSKESA-N 2 2 268.361 -0.901 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2C[C@@H]([NH3+])C[C@@H]2C)CC1 ZINC000633116150 357049680 /nfs/dbraw/zinc/04/96/80/357049680.db2.gz PNOVWNVXZIHWNS-QWRGUYRKSA-N 2 2 268.361 -0.901 20 0 CBADLP CC[NH+](CC)CCS(=O)(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000632577993 357005227 /nfs/dbraw/zinc/00/52/27/357005227.db2.gz KMPAOBQZLVFOIT-LBPRGKRZSA-N 2 2 293.433 -0.734 20 0 CBADLP CC[NH+](CC)CCS(=O)(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000632577993 357005231 /nfs/dbraw/zinc/00/52/31/357005231.db2.gz KMPAOBQZLVFOIT-LBPRGKRZSA-N 2 2 293.433 -0.734 20 0 CBADLP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000632604113 357009805 /nfs/dbraw/zinc/00/98/05/357009805.db2.gz YLOHGTWZEQAIJN-UHFFFAOYSA-N 2 2 293.371 -0.079 20 0 CBADLP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000632604113 357009806 /nfs/dbraw/zinc/00/98/06/357009806.db2.gz YLOHGTWZEQAIJN-UHFFFAOYSA-N 2 2 293.371 -0.079 20 0 CBADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)CO)c2)CC1 ZINC000634194287 357109346 /nfs/dbraw/zinc/10/93/46/357109346.db2.gz RJRLOBDDLOYUGS-UHFFFAOYSA-N 2 2 250.302 -0.236 20 0 CBADLP C[N@@H+]1CCN(C(=O)NC[C@@H]2CCCC[NH2+]2)[C@@H](C[NH3+])C1 ZINC000634272320 357113622 /nfs/dbraw/zinc/11/36/22/357113622.db2.gz ZWBFMWPLPQGJHQ-RYUDHWBXSA-N 3 2 269.393 -0.587 20 0 CBADLP C[N@H+]1CCN(C(=O)NC[C@@H]2CCCC[NH2+]2)[C@@H](C[NH3+])C1 ZINC000634272320 357113626 /nfs/dbraw/zinc/11/36/26/357113626.db2.gz ZWBFMWPLPQGJHQ-RYUDHWBXSA-N 3 2 269.393 -0.587 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)N(C)C[C@H]2C[NH+](C)CCO2)C1 ZINC000633922826 357096384 /nfs/dbraw/zinc/09/63/84/357096384.db2.gz FDLYPENLQVOIFA-CHWSQXEVSA-N 2 2 285.388 -0.504 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)N(C)C[C@H]2C[NH+](C)CCO2)C1 ZINC000633922826 357096387 /nfs/dbraw/zinc/09/63/87/357096387.db2.gz FDLYPENLQVOIFA-CHWSQXEVSA-N 2 2 285.388 -0.504 20 0 CBADLP CC[NH+]1CCO[C@@H](C(=O)N(C)C[C@H]2C[N@H+](C)CCO2)C1 ZINC000633922826 357096388 /nfs/dbraw/zinc/09/63/88/357096388.db2.gz FDLYPENLQVOIFA-CHWSQXEVSA-N 2 2 285.388 -0.504 20 0 CBADLP CC[NH+]1CCO[C@@H](C(=O)N(C)C[C@H]2C[N@@H+](C)CCO2)C1 ZINC000633922826 357096393 /nfs/dbraw/zinc/09/63/93/357096393.db2.gz FDLYPENLQVOIFA-CHWSQXEVSA-N 2 2 285.388 -0.504 20 0 CBADLP CC1(C)C[NH2+]CC[C@H](NC(=O)CN2CC[NH2+]CC2=O)C1 ZINC000634752649 357133721 /nfs/dbraw/zinc/13/37/21/357133721.db2.gz PSSDKNZKLZENPQ-NSHDSACASA-N 2 2 282.388 -0.687 20 0 CBADLP C[C@@H](C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1)N1CC[NH2+]CC1=O ZINC000634765283 357134287 /nfs/dbraw/zinc/13/42/87/357134287.db2.gz OKICKYQAFZTCQT-RYUDHWBXSA-N 2 2 296.415 -0.299 20 0 CBADLP C[C@@H]([NH3+])CNc1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000634808922 357137389 /nfs/dbraw/zinc/13/73/89/357137389.db2.gz GPQPNFKEZPGPMN-SECBINFHSA-N 2 2 264.333 -0.486 20 0 CBADLP CNS(=O)(=O)CCC[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000635009649 357142984 /nfs/dbraw/zinc/14/29/84/357142984.db2.gz YRRJRYIGGAKIAE-WDEREUQCSA-N 2 2 279.406 -0.718 20 0 CBADLP CNS(=O)(=O)CCC[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000635009646 357143055 /nfs/dbraw/zinc/14/30/55/357143055.db2.gz YRRJRYIGGAKIAE-GHMZBOCLSA-N 2 2 279.406 -0.718 20 0 CBADLP CNS(=O)(=O)CCC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000635009345 357143423 /nfs/dbraw/zinc/14/34/23/357143423.db2.gz YAFQNJHEFYWBOA-RYUDHWBXSA-N 2 2 291.417 -0.718 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000635294348 357156142 /nfs/dbraw/zinc/15/61/42/357156142.db2.gz IKTJWYVPKXDTIZ-AWEZNQCLSA-N 2 2 296.415 -0.392 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000635294348 357156145 /nfs/dbraw/zinc/15/61/45/357156145.db2.gz IKTJWYVPKXDTIZ-AWEZNQCLSA-N 2 2 296.415 -0.392 20 0 CBADLP C[NH2+]C[C@H](O)C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634719886 357129034 /nfs/dbraw/zinc/12/90/34/357129034.db2.gz AXNGGKZWSARGQH-HOTGVXAUSA-N 3 2 293.411 -0.207 20 0 CBADLP C[NH2+]C[C@H](O)C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634719886 357129037 /nfs/dbraw/zinc/12/90/37/357129037.db2.gz AXNGGKZWSARGQH-HOTGVXAUSA-N 3 2 293.411 -0.207 20 0 CBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C1(C[NH+](C)C)CC1 ZINC000635659782 357190635 /nfs/dbraw/zinc/19/06/35/357190635.db2.gz SOZCHNMWLLQPGG-ZDUSSCGKSA-N 2 2 299.415 -0.520 20 0 CBADLP C[C@H](C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1)[NH+](C)C ZINC000635690450 357192972 /nfs/dbraw/zinc/19/29/72/357192972.db2.gz RQJMKOGMKQTHJX-GFCCVEGCSA-N 2 2 284.404 -0.441 20 0 CBADLP CCc1c[nH]c(CC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)[nH+]1 ZINC000635948139 357238463 /nfs/dbraw/zinc/23/84/63/357238463.db2.gz IXUSUVAMUBVAPX-QWRGUYRKSA-N 2 2 266.345 -0.352 20 0 CBADLP C[C@H](C(=O)NC[C@H](C)CN1CC[NH+](C)CC1)[NH+](C)C ZINC000635558527 357176283 /nfs/dbraw/zinc/17/62/83/357176283.db2.gz AIIWVSKPJUUJHC-QWHCGFSZSA-N 2 2 270.421 -0.064 20 0 CBADLP C[C@@H](C(=O)NCC1([NH+]2CCOCC2)CCOCC1)[NH+](C)C ZINC000636016127 357251131 /nfs/dbraw/zinc/25/11/31/357251131.db2.gz MPXQFZCRTCEIEM-ZDUSSCGKSA-N 2 2 299.415 -0.066 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@]1(C)CCNC1=O ZINC000636171652 357268366 /nfs/dbraw/zinc/26/83/66/357268366.db2.gz NYJOCAVQGPZMAE-AWEZNQCLSA-N 2 2 284.404 -0.488 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@]1(C)CCNC1=O ZINC000636171652 357268370 /nfs/dbraw/zinc/26/83/70/357268370.db2.gz NYJOCAVQGPZMAE-AWEZNQCLSA-N 2 2 284.404 -0.488 20 0 CBADLP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2COCC[NH+]2C)C1 ZINC000636278937 357275694 /nfs/dbraw/zinc/27/56/94/357275694.db2.gz CHVQUOZPLQDEQI-NEPJUHHUSA-N 2 2 255.362 -0.225 20 0 CBADLP C[N@H+]1CC[C@H](CC(=O)NC[C@H]2COCC[NH+]2C)C1 ZINC000636278937 357275697 /nfs/dbraw/zinc/27/56/97/357275697.db2.gz CHVQUOZPLQDEQI-NEPJUHHUSA-N 2 2 255.362 -0.225 20 0 CBADLP C[NH+]1CC[C@H](CC(=O)NC[C@H]2COCC[N@@H+]2C)C1 ZINC000636278937 357275699 /nfs/dbraw/zinc/27/56/99/357275699.db2.gz CHVQUOZPLQDEQI-NEPJUHHUSA-N 2 2 255.362 -0.225 20 0 CBADLP C[NH+]1CC[C@H](CC(=O)NC[C@H]2COCC[N@H+]2C)C1 ZINC000636278937 357275703 /nfs/dbraw/zinc/27/57/03/357275703.db2.gz CHVQUOZPLQDEQI-NEPJUHHUSA-N 2 2 255.362 -0.225 20 0 CBADLP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)CCc1c[nH+]c[nH]1 ZINC000636314689 357278920 /nfs/dbraw/zinc/27/89/20/357278920.db2.gz DTHLUHFAHKZJIJ-UHFFFAOYSA-N 2 2 293.371 -0.425 20 0 CBADLP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)CCc1c[nH]c[nH+]1 ZINC000636314689 357278925 /nfs/dbraw/zinc/27/89/25/357278925.db2.gz DTHLUHFAHKZJIJ-UHFFFAOYSA-N 2 2 293.371 -0.425 20 0 CBADLP C[NH+](C)C[C@H]1CN(Cc2c[nH+]c(N)nc2N)CCO1 ZINC000637819635 357370615 /nfs/dbraw/zinc/37/06/15/357370615.db2.gz JSVGVPOKDOFDKS-JTQLQIEISA-N 2 2 266.349 -0.936 20 0 CBADLP C[NH2+][C@H]1CCCN(C(=O)[C@@H](C)N2CC[NH2+]CC2=O)C1 ZINC000637822379 357371411 /nfs/dbraw/zinc/37/14/11/357371411.db2.gz KDDLZHNPHIPUIP-MNOVXSKESA-N 2 2 268.361 -0.983 20 0 CBADLP C[N@@H+]1CCN(C(=O)COCC(F)F)[C@H](C[NH3+])C1 ZINC000637863358 357378100 /nfs/dbraw/zinc/37/81/00/357378100.db2.gz ARKMMYDUXVAGHL-MRVPVSSYSA-N 2 2 251.277 -0.631 20 0 CBADLP C[N@H+]1CCN(C(=O)COCC(F)F)[C@H](C[NH3+])C1 ZINC000637863358 357378103 /nfs/dbraw/zinc/37/81/03/357378103.db2.gz ARKMMYDUXVAGHL-MRVPVSSYSA-N 2 2 251.277 -0.631 20 0 CBADLP C[NH2+]CC1CCN(C(=O)[C@@H](C)N2CC[NH2+]CC2=O)CC1 ZINC000637835853 357373892 /nfs/dbraw/zinc/37/38/92/357373892.db2.gz UNJOBVXHOLVSSB-LLVKDONJSA-N 2 2 282.388 -0.735 20 0 CBADLP O=C(NCC[N@H+]1CC[C@@H](O)C1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000637157299 357327061 /nfs/dbraw/zinc/32/70/61/357327061.db2.gz SNPIRDBTCNZAHV-GHMZBOCLSA-N 2 2 293.371 -0.367 20 0 CBADLP O=C(NCC[N@@H+]1CC[C@@H](O)C1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000637157299 357327064 /nfs/dbraw/zinc/32/70/64/357327064.db2.gz SNPIRDBTCNZAHV-GHMZBOCLSA-N 2 2 293.371 -0.367 20 0 CBADLP O=C(NCC[N@@H+]1CCCOCC1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000637170921 357328081 /nfs/dbraw/zinc/32/80/81/357328081.db2.gz ABHRPGSALDELCK-LBPRGKRZSA-N 2 2 293.371 -0.171 20 0 CBADLP O=C(NCC[N@H+]1CCCOCC1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000637170921 357328086 /nfs/dbraw/zinc/32/80/86/357328086.db2.gz ABHRPGSALDELCK-LBPRGKRZSA-N 2 2 293.371 -0.171 20 0 CBADLP C[C@H](NC(=O)NCC[N@@H+]1CC[C@H](O)C1)c1[nH+]ccn1C ZINC000637290334 357337432 /nfs/dbraw/zinc/33/74/32/357337432.db2.gz PCFJWUZVKGGIOS-QWRGUYRKSA-N 2 2 281.360 -0.153 20 0 CBADLP C[C@H](NC(=O)NCC[N@H+]1CC[C@H](O)C1)c1[nH+]ccn1C ZINC000637290334 357337434 /nfs/dbraw/zinc/33/74/34/357337434.db2.gz PCFJWUZVKGGIOS-QWRGUYRKSA-N 2 2 281.360 -0.153 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000637863873 357378367 /nfs/dbraw/zinc/37/83/67/357378367.db2.gz IZSRYWGUXQSONA-NSHDSACASA-N 3 2 251.334 -0.707 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000637863873 357378371 /nfs/dbraw/zinc/37/83/71/357378371.db2.gz IZSRYWGUXQSONA-NSHDSACASA-N 3 2 251.334 -0.707 20 0 CBADLP C[NH+](C)C[C@H]1CCN(C(=O)NC[C@H]2COCC[N@@H+]2C)C1 ZINC000637441318 357348740 /nfs/dbraw/zinc/34/87/40/357348740.db2.gz ATHSTOSCRVVJTM-OLZOCXBDSA-N 2 2 284.404 -0.090 20 0 CBADLP C[NH+](C)C[C@H]1CCN(C(=O)NC[C@H]2COCC[N@H+]2C)C1 ZINC000637441318 357348742 /nfs/dbraw/zinc/34/87/42/357348742.db2.gz ATHSTOSCRVVJTM-OLZOCXBDSA-N 2 2 284.404 -0.090 20 0 CBADLP CC(C)[C@@](C)(C[NH3+])NC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000637850973 357376978 /nfs/dbraw/zinc/37/69/78/357376978.db2.gz MMXLHGXOHRNRBB-GXFFZTMASA-N 2 2 270.377 -0.704 20 0 CBADLP Nc1nc(N)c(CN2CC[C@@H]([NH+]3CCCC3)C2)c[nH+]1 ZINC000637995116 357396826 /nfs/dbraw/zinc/39/68/26/357396826.db2.gz SHIXKVPUZDFTNK-LLVKDONJSA-N 2 2 262.361 -0.028 20 0 CBADLP C[NH+](C)[C@H]1CCCN(Cc2c[nH+]c(N)nc2N)C1 ZINC000638015778 357400897 /nfs/dbraw/zinc/40/08/97/357400897.db2.gz UAHXZRWMUHAENS-JTQLQIEISA-N 2 2 250.350 -0.172 20 0 CBADLP C[C@H](C(=O)NC1CC[NH+](C)CC1)N1CC[NH2+]CC1=O ZINC000638050364 357405879 /nfs/dbraw/zinc/40/58/79/357405879.db2.gz ODNUNAPHBSGEPN-SNVBAGLBSA-N 2 2 268.361 -0.983 20 0 CBADLP C[C@H](C(=O)NCCC[NH+]1CCCCC1)N1CC[NH2+]CC1=O ZINC000638052784 357405980 /nfs/dbraw/zinc/40/59/80/357405980.db2.gz AQPYPBYWROZAJJ-CYBMUJFWSA-N 2 2 296.415 -0.201 20 0 CBADLP C[C@@H](C(=O)NC1CC[NH+](C)CC1)N1CC[NH2+]CC1=O ZINC000638050363 357406163 /nfs/dbraw/zinc/40/61/63/357406163.db2.gz ODNUNAPHBSGEPN-JTQLQIEISA-N 2 2 268.361 -0.983 20 0 CBADLP [NH3+]C[C@@]1(C(=O)NCCn2cc[nH+]c2)CCCOC1 ZINC000638051873 357406656 /nfs/dbraw/zinc/40/66/56/357406656.db2.gz UGJHSQPDMUKHFV-LBPRGKRZSA-N 2 2 252.318 -0.245 20 0 CBADLP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H](C)N2CC[NH2+]CC2=O)C1 ZINC000638059907 357407809 /nfs/dbraw/zinc/40/78/09/357407809.db2.gz PQBFVJMNGRUMEU-QWHCGFSZSA-N 2 2 296.415 -0.251 20 0 CBADLP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H](C)N2CC[NH2+]CC2=O)C1 ZINC000638059905 357407921 /nfs/dbraw/zinc/40/79/21/357407921.db2.gz PQBFVJMNGRUMEU-CHWSQXEVSA-N 2 2 296.415 -0.251 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@@]2(COC)CCCC[NH2+]2)CC1 ZINC000638058174 357407931 /nfs/dbraw/zinc/40/79/31/357407931.db2.gz VHLFJLSYMWDQKU-HNNXBMFYSA-N 2 2 299.415 -0.064 20 0 CBADLP Cc1[nH+]ccn1CCCNC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638068856 357408295 /nfs/dbraw/zinc/40/82/95/357408295.db2.gz LZBWIVDNRLXNRI-LLVKDONJSA-N 2 2 293.371 -0.482 20 0 CBADLP C[C@@H](C(=O)NCCCC[NH+](C)C)N1CC[NH2+]CC1=O ZINC000638067621 357408925 /nfs/dbraw/zinc/40/89/25/357408925.db2.gz SBAXDZFILYUTKF-NSHDSACASA-N 2 2 270.377 -0.735 20 0 CBADLP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N[C@H](C)C[NH+]2CCOCC2)C1 ZINC000638068212 357408963 /nfs/dbraw/zinc/40/89/63/357408963.db2.gz BUBUQHIHSDXCMV-MBNYWOFBSA-N 2 2 285.388 -0.410 20 0 CBADLP C[C@@H](C(=O)NCCCCn1cc[nH+]c1)N1CC[NH2+]CC1=O ZINC000638075189 357411231 /nfs/dbraw/zinc/41/12/31/357411231.db2.gz HAVFTNHGQIULNA-LBPRGKRZSA-N 2 2 293.371 -0.400 20 0 CBADLP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)N1CC[NH2+]CC1=O ZINC000638081198 357412589 /nfs/dbraw/zinc/41/25/89/357412589.db2.gz IDFAELORVPELRC-WDEREUQCSA-N 2 2 280.372 -0.840 20 0 CBADLP C[C@@H](C(=O)N[C@@H]1CC[N@H+](C2CC2)C1)N1CC[NH2+]CC1=O ZINC000638081198 357412592 /nfs/dbraw/zinc/41/25/92/357412592.db2.gz IDFAELORVPELRC-WDEREUQCSA-N 2 2 280.372 -0.840 20 0 CBADLP C[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1C)N1CC[NH2+]CC1=O ZINC000638076765 357412806 /nfs/dbraw/zinc/41/28/06/357412806.db2.gz NNHKQBRJCFQFGD-MNOVXSKESA-N 2 2 268.361 -0.983 20 0 CBADLP C[C@H](C(=O)NC[C@@H]1CCC[N@H+]1C)N1CC[NH2+]CC1=O ZINC000638076765 357412809 /nfs/dbraw/zinc/41/28/09/357412809.db2.gz NNHKQBRJCFQFGD-MNOVXSKESA-N 2 2 268.361 -0.983 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)CCC2C[NH2+]C2)CCO1 ZINC000638090670 357414720 /nfs/dbraw/zinc/41/47/20/357414720.db2.gz JRBKKECXENHKLP-LLVKDONJSA-N 2 2 255.362 -0.177 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)CCC2C[NH2+]C2)CCO1 ZINC000638090670 357414721 /nfs/dbraw/zinc/41/47/21/357414721.db2.gz JRBKKECXENHKLP-LLVKDONJSA-N 2 2 255.362 -0.177 20 0 CBADLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638098383 357415802 /nfs/dbraw/zinc/41/58/02/357415802.db2.gz MEBZOWOQSAAWPE-HNNXBMFYSA-N 2 2 299.415 -0.031 20 0 CBADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638098383 357415806 /nfs/dbraw/zinc/41/58/06/357415806.db2.gz MEBZOWOQSAAWPE-HNNXBMFYSA-N 2 2 299.415 -0.031 20 0 CBADLP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)C1 ZINC000638099390 357417180 /nfs/dbraw/zinc/41/71/80/357417180.db2.gz UNSQHAMHCVUBFR-SGMGOOAPSA-N 2 2 285.388 -0.410 20 0 CBADLP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCC[N@H+]2CCOC[C@@H]2C)C1 ZINC000638099390 357417182 /nfs/dbraw/zinc/41/71/82/357417182.db2.gz UNSQHAMHCVUBFR-SGMGOOAPSA-N 2 2 285.388 -0.410 20 0 CBADLP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000638100386 357417321 /nfs/dbraw/zinc/41/73/21/357417321.db2.gz YYYDIDWIBLYUPE-WFASDCNBSA-N 2 2 299.415 -0.020 20 0 CBADLP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000638100386 357417322 /nfs/dbraw/zinc/41/73/22/357417322.db2.gz YYYDIDWIBLYUPE-WFASDCNBSA-N 2 2 299.415 -0.020 20 0 CBADLP C[C@@H](C(=O)NCC[N@@H+]1CC[C@@H](C)C1)N1CC[NH2+]CC1=O ZINC000638125038 357421507 /nfs/dbraw/zinc/42/15/07/357421507.db2.gz CDWBMSYRWQNOAE-NEPJUHHUSA-N 2 2 282.388 -0.735 20 0 CBADLP C[C@@H](C(=O)NCC[N@H+]1CC[C@@H](C)C1)N1CC[NH2+]CC1=O ZINC000638125038 357421514 /nfs/dbraw/zinc/42/15/14/357421514.db2.gz CDWBMSYRWQNOAE-NEPJUHHUSA-N 2 2 282.388 -0.735 20 0 CBADLP C[C@@H](NC(=O)[C@H](C)N1CC[NH2+]CC1=O)C(C)(C)C[NH+](C)C ZINC000638121373 357422014 /nfs/dbraw/zinc/42/20/14/357422014.db2.gz FLXYPMQNNFNKTL-NWDGAFQWSA-N 2 2 298.431 -0.101 20 0 CBADLP C[C@H](C(=O)NCC[N@@H+]1CC[C@@H](C)C1)N1CC[NH2+]CC1=O ZINC000638125047 357422321 /nfs/dbraw/zinc/42/23/21/357422321.db2.gz CDWBMSYRWQNOAE-VXGBXAGGSA-N 2 2 282.388 -0.735 20 0 CBADLP C[C@H](C(=O)NCC[N@H+]1CC[C@@H](C)C1)N1CC[NH2+]CC1=O ZINC000638125047 357422323 /nfs/dbraw/zinc/42/23/23/357422323.db2.gz CDWBMSYRWQNOAE-VXGBXAGGSA-N 2 2 282.388 -0.735 20 0 CBADLP C[C@@H](NC(=O)[C@@H](C)N1CC[NH2+]CC1=O)C(C)(C)C[NH+](C)C ZINC000638121375 357422331 /nfs/dbraw/zinc/42/23/31/357422331.db2.gz FLXYPMQNNFNKTL-VXGBXAGGSA-N 2 2 298.431 -0.101 20 0 CBADLP C[C@H](C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)N1CC[NH2+]CC1=O ZINC000638125666 357422409 /nfs/dbraw/zinc/42/24/09/357422409.db2.gz YMNLGZBIHSNYAJ-UPJWGTAASA-N 2 2 296.415 -0.252 20 0 CBADLP C[C@H](C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1)N1CC[NH2+]CC1=O ZINC000638125666 357422413 /nfs/dbraw/zinc/42/24/13/357422413.db2.gz YMNLGZBIHSNYAJ-UPJWGTAASA-N 2 2 296.415 -0.252 20 0 CBADLP C[C@H](C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)N1CC[NH2+]CC1=O ZINC000638125664 357423035 /nfs/dbraw/zinc/42/30/35/357423035.db2.gz YMNLGZBIHSNYAJ-JHJVBQTASA-N 2 2 296.415 -0.252 20 0 CBADLP C[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)N1CC[NH2+]CC1=O ZINC000638125664 357423039 /nfs/dbraw/zinc/42/30/39/357423039.db2.gz YMNLGZBIHSNYAJ-JHJVBQTASA-N 2 2 296.415 -0.252 20 0 CBADLP CN1CC[NH+](CCCNC(=O)[C@]2(C)C[NH2+]CCO2)CC1 ZINC000638137707 357424286 /nfs/dbraw/zinc/42/42/86/357424286.db2.gz ZPOBOZLBJQOMHP-AWEZNQCLSA-N 2 2 284.404 -0.881 20 0 CBADLP C[C@H](CNC(=O)[C@]1(C)C[NH2+]CCO1)CN1CC[NH+](C)CC1 ZINC000638137518 357424466 /nfs/dbraw/zinc/42/44/66/357424466.db2.gz KLJWKUXEROIEGU-HIFRSBDPSA-N 2 2 298.431 -0.635 20 0 CBADLP C[C@H](C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)N1CC[NH2+]CC1=O ZINC000638138795 357425353 /nfs/dbraw/zinc/42/53/53/357425353.db2.gz NNRSACZRPUHSBJ-ZYHUDNBSSA-N 2 2 280.372 -0.840 20 0 CBADLP Cn1cc(C[NH+]2CCN(C(=O)[C@@H]3OCC[C@@H]3[NH3+])CC2)cn1 ZINC000638140578 357425398 /nfs/dbraw/zinc/42/53/98/357425398.db2.gz MVOPFCWWZZVMRC-QWHCGFSZSA-N 2 2 293.371 -0.820 20 0 CBADLP COC[C@]1(C(=O)N2CC[NH+](C)CC2)CCCC[NH2+]1 ZINC000638149024 357426578 /nfs/dbraw/zinc/42/65/78/357426578.db2.gz DFHZGBFRZLTGNQ-ZDUSSCGKSA-N 2 2 255.362 -0.081 20 0 CBADLP C[C@@H](C(=O)NCC1(C)CC[NH2+]CC1)N1CC[NH2+]CC1=O ZINC000638161650 357428090 /nfs/dbraw/zinc/42/80/90/357428090.db2.gz HCEQCIAVUZFGMZ-NSHDSACASA-N 2 2 282.388 -0.687 20 0 CBADLP C[C@H](C(=O)NCC1(C)CC[NH2+]CC1)N1CC[NH2+]CC1=O ZINC000638161649 357428578 /nfs/dbraw/zinc/42/85/78/357428578.db2.gz HCEQCIAVUZFGMZ-LLVKDONJSA-N 2 2 282.388 -0.687 20 0 CBADLP CCN(C(=O)[C@H](C)N1CC[NH2+]CC1=O)[C@H]1CCC[NH2+]CC1 ZINC000638179068 357432409 /nfs/dbraw/zinc/43/24/09/357432409.db2.gz FAQBYDKTCFPFIP-STQMWFEESA-N 2 2 296.415 -0.203 20 0 CBADLP C[C@H](C(=O)N[C@@H]1CC[NH2+][C@H](C)C1)N1CC[NH2+]CC1=O ZINC000638207943 357435064 /nfs/dbraw/zinc/43/50/64/357435064.db2.gz DMBJINJACRIVGR-GMTAPVOTSA-N 2 2 268.361 -0.937 20 0 CBADLP CC[C@@H]1CN(C(=O)[C@H](C)N2CC[NH2+]CC2=O)CC[C@H]1[NH3+] ZINC000638206878 357435413 /nfs/dbraw/zinc/43/54/13/357435413.db2.gz LULSPEMWKDQTNR-QJPTWQEYSA-N 2 2 282.388 -0.608 20 0 CBADLP C[C@H](C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1)N1CC[NH2+]CC1=O ZINC000638248288 357443694 /nfs/dbraw/zinc/44/36/94/357443694.db2.gz NVCADVWZJNZXBD-IJLUTSLNSA-N 2 2 280.372 -0.983 20 0 CBADLP C[C@@H](C(=O)N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C)N1CC[NH2+]CC1=O ZINC000638231132 357439953 /nfs/dbraw/zinc/43/99/53/357439953.db2.gz NMXHOVHQAXUSNZ-HNCHTBHHSA-N 2 2 282.388 -0.691 20 0 CBADLP CC[C@@H](NC(C)=O)C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000637864104 357378729 /nfs/dbraw/zinc/37/87/29/357378729.db2.gz MFCNEZJSJPOQDW-WDEREUQCSA-N 2 2 256.350 -0.998 20 0 CBADLP CC[C@@H](NC(C)=O)C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000637864104 357378732 /nfs/dbraw/zinc/37/87/32/357378732.db2.gz MFCNEZJSJPOQDW-WDEREUQCSA-N 2 2 256.350 -0.998 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)N2CC[NH+](C)C[C@@H]2C[NH3+])CC[N@@H+]1C ZINC000637864028 357378783 /nfs/dbraw/zinc/37/87/83/357378783.db2.gz KLTVCFYWXYXYRH-RWMBFGLXSA-N 3 2 268.405 -0.182 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)N2CC[NH+](C)C[C@@H]2C[NH3+])CC[N@H+]1C ZINC000637864028 357378788 /nfs/dbraw/zinc/37/87/88/357378788.db2.gz KLTVCFYWXYXYRH-RWMBFGLXSA-N 3 2 268.405 -0.182 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])CC[NH+]1C ZINC000637864028 357378790 /nfs/dbraw/zinc/37/87/90/357378790.db2.gz KLTVCFYWXYXYRH-RWMBFGLXSA-N 3 2 268.405 -0.182 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])CC[NH+]1C ZINC000637864028 357378792 /nfs/dbraw/zinc/37/87/92/357378792.db2.gz KLTVCFYWXYXYRH-RWMBFGLXSA-N 3 2 268.405 -0.182 20 0 CBADLP C[N@@H+]1CC[C@@H](CC(=O)N2CC[NH+](C)C[C@@H]2C[NH3+])C1 ZINC000637866348 357379189 /nfs/dbraw/zinc/37/91/89/357379189.db2.gz KXRNSONKKJYAQN-RYUDHWBXSA-N 3 2 254.378 -0.571 20 0 CBADLP C[N@H+]1CC[C@@H](CC(=O)N2CC[NH+](C)C[C@@H]2C[NH3+])C1 ZINC000637866348 357379194 /nfs/dbraw/zinc/37/91/94/357379194.db2.gz KXRNSONKKJYAQN-RYUDHWBXSA-N 3 2 254.378 -0.571 20 0 CBADLP C[NH+]1CC[C@@H](CC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])C1 ZINC000637866348 357379196 /nfs/dbraw/zinc/37/91/96/357379196.db2.gz KXRNSONKKJYAQN-RYUDHWBXSA-N 3 2 254.378 -0.571 20 0 CBADLP C[NH+]1CC[C@@H](CC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])C1 ZINC000637866348 357379200 /nfs/dbraw/zinc/37/92/00/357379200.db2.gz KXRNSONKKJYAQN-RYUDHWBXSA-N 3 2 254.378 -0.571 20 0 CBADLP CN1CCCC[C@H](C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])C1=O ZINC000637866998 357379470 /nfs/dbraw/zinc/37/94/70/357379470.db2.gz RGURNILKALWYBS-NEPJUHHUSA-N 2 2 282.388 -0.654 20 0 CBADLP CN1CCCC[C@H](C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])C1=O ZINC000637866998 357379471 /nfs/dbraw/zinc/37/94/71/357379471.db2.gz RGURNILKALWYBS-NEPJUHHUSA-N 2 2 282.388 -0.654 20 0 CBADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]CC(C)(C)N1CCOCC1 ZINC000638596767 357500499 /nfs/dbraw/zinc/50/04/99/357500499.db2.gz PSMQOQFECKQNBD-AWEZNQCLSA-N 2 2 284.448 -0.067 20 0 CBADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]CC(C)(C)N1CCOCC1 ZINC000638596767 357500500 /nfs/dbraw/zinc/50/05/00/357500500.db2.gz PSMQOQFECKQNBD-AWEZNQCLSA-N 2 2 284.448 -0.067 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000638609217 357501648 /nfs/dbraw/zinc/50/16/48/357501648.db2.gz FPRLSLWKLWAKSX-VHSXEESVSA-N 2 2 277.315 -0.322 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000638609217 357501649 /nfs/dbraw/zinc/50/16/49/357501649.db2.gz FPRLSLWKLWAKSX-VHSXEESVSA-N 2 2 277.315 -0.322 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000638608370 357501687 /nfs/dbraw/zinc/50/16/87/357501687.db2.gz AKCVMFOTDRRXRD-XQQFMLRXSA-N 2 2 267.373 -0.036 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000638608370 357501689 /nfs/dbraw/zinc/50/16/89/357501689.db2.gz AKCVMFOTDRRXRD-XQQFMLRXSA-N 2 2 267.373 -0.036 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)CC[C@H]1CC[NH2+]C1 ZINC000638610887 357502635 /nfs/dbraw/zinc/50/26/35/357502635.db2.gz LRVFTGIQZFRNQV-NWDGAFQWSA-N 2 2 255.362 -0.177 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)CC[C@H]1CC[NH2+]C1 ZINC000638610887 357502639 /nfs/dbraw/zinc/50/26/39/357502639.db2.gz LRVFTGIQZFRNQV-NWDGAFQWSA-N 2 2 255.362 -0.177 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)C[C@H]1CSCC[NH2+]1 ZINC000638611223 357502821 /nfs/dbraw/zinc/50/28/21/357502821.db2.gz MYBZIENWEKFFLE-QWRGUYRKSA-N 2 2 273.402 -0.472 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)C[C@H]1CSCC[NH2+]1 ZINC000638611223 357502822 /nfs/dbraw/zinc/50/28/22/357502822.db2.gz MYBZIENWEKFFLE-QWRGUYRKSA-N 2 2 273.402 -0.472 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000638609239 357502849 /nfs/dbraw/zinc/50/28/49/357502849.db2.gz FRRCFFKIQBCTOQ-MWLCHTKSSA-N 2 2 295.305 -0.025 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000638609239 357502850 /nfs/dbraw/zinc/50/28/50/357502850.db2.gz FRRCFFKIQBCTOQ-MWLCHTKSSA-N 2 2 295.305 -0.025 20 0 CBADLP COC1(C(=O)NC[C@@H]2COCC[N@@H+]2C)CC[NH2+]CC1 ZINC000638612379 357503862 /nfs/dbraw/zinc/50/38/62/357503862.db2.gz VGVRRXKHQWOGMT-LLVKDONJSA-N 2 2 271.361 -0.798 20 0 CBADLP COC1(C(=O)NC[C@@H]2COCC[N@H+]2C)CC[NH2+]CC1 ZINC000638612379 357503867 /nfs/dbraw/zinc/50/38/67/357503867.db2.gz VGVRRXKHQWOGMT-LLVKDONJSA-N 2 2 271.361 -0.798 20 0 CBADLP C[C@@H](CC(=O)NC[C@H]1COCC[NH2+]1)n1cc[nH+]c1 ZINC000638613764 357507105 /nfs/dbraw/zinc/50/71/05/357507105.db2.gz LPQYGQOCRFWEDD-QWRGUYRKSA-N 2 2 252.318 -0.061 20 0 CBADLP O=C(NC[C@@H]1COCC[NH2+]1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000638616316 357507500 /nfs/dbraw/zinc/50/75/00/357507500.db2.gz KQFRRLYATBYNHY-OCCSQVGLSA-N 2 2 297.399 -0.266 20 0 CBADLP O=C(NC[C@@H]1COCC[NH2+]1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000638616316 357507503 /nfs/dbraw/zinc/50/75/03/357507503.db2.gz KQFRRLYATBYNHY-OCCSQVGLSA-N 2 2 297.399 -0.266 20 0 CBADLP O=C(NC[C@H]1COCC[NH2+]1)c1ccc(-n2cc[nH+]c2)nn1 ZINC000638616431 357507971 /nfs/dbraw/zinc/50/79/71/357507971.db2.gz RBFKJDMKFCTKTR-JTQLQIEISA-N 2 2 288.311 -0.620 20 0 CBADLP C[C@H](C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)N1CC[NH2+]CC1=O ZINC000638248292 357444287 /nfs/dbraw/zinc/44/42/87/357444287.db2.gz NVCADVWZJNZXBD-WOPDTQHZSA-N 2 2 280.372 -0.983 20 0 CBADLP C[C@@H](C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)N1CC[NH2+]CC1=O ZINC000638249158 357444428 /nfs/dbraw/zinc/44/44/28/357444428.db2.gz OOUZGACKHQXHPS-RWMBFGLXSA-N 2 2 294.399 -0.735 20 0 CBADLP C[C@@H](C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21)N1CC[NH2+]CC1=O ZINC000638265938 357446145 /nfs/dbraw/zinc/44/61/45/357446145.db2.gz HCZWVJVXEJQRGZ-SDDRHHMPSA-N 2 2 280.372 -0.983 20 0 CBADLP CN(Cc1[nH+]ccn1C)C(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638270410 357447064 /nfs/dbraw/zinc/44/70/64/357447064.db2.gz DOXBPLRUKHOURF-GFCCVEGCSA-N 2 2 252.318 -0.243 20 0 CBADLP C[C@H](C(=O)N(C)Cc1[nH+]ccn1C)N1CC[NH2+]CC1=O ZINC000638271925 357447100 /nfs/dbraw/zinc/44/71/00/357447100.db2.gz VJTWKUYADWQTAH-SNVBAGLBSA-N 2 2 279.344 -0.801 20 0 CBADLP COC[C@]1(C(=O)N(C)CC[NH+]2CCOCC2)CCCC[NH2+]1 ZINC000638273934 357448121 /nfs/dbraw/zinc/44/81/21/357448121.db2.gz DNJLPEHCLKWYSI-HNNXBMFYSA-N 2 2 299.415 -0.064 20 0 CBADLP C[C@@H](C(=O)N1CCC[C@@H]([NH+](C)C)CC1)N1CC[NH2+]CC1=O ZINC000638283741 357451513 /nfs/dbraw/zinc/45/15/13/357451513.db2.gz AZIGQUUULAMAHI-QWHCGFSZSA-N 2 2 296.415 -0.251 20 0 CBADLP C[C@H](C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C)N1CC[NH2+]CC1=O ZINC000638286818 357452138 /nfs/dbraw/zinc/45/21/38/357452138.db2.gz RJPPLEZGRVNJNQ-JHJVBQTASA-N 2 2 296.415 -0.395 20 0 CBADLP C[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C)N1CC[NH2+]CC1=O ZINC000638286818 357452141 /nfs/dbraw/zinc/45/21/41/357452141.db2.gz RJPPLEZGRVNJNQ-JHJVBQTASA-N 2 2 296.415 -0.395 20 0 CBADLP C[C@H](C(=O)N[C@@H](C[NH3+])C1CCCC1)N1CC[NH2+]CC1=O ZINC000638326049 357457837 /nfs/dbraw/zinc/45/78/37/357457837.db2.gz IHILBXSPQQNZHE-PWSUYJOCSA-N 2 2 282.388 -0.560 20 0 CBADLP C[C@@H](C(=O)N[C@@H](C[NH3+])C1CCCC1)N1CC[NH2+]CC1=O ZINC000638326048 357458272 /nfs/dbraw/zinc/45/82/72/357458272.db2.gz IHILBXSPQQNZHE-JQWIXIFHSA-N 2 2 282.388 -0.560 20 0 CBADLP CCc1c[nH]c(CC(=O)NC[C@@H]2C[NH2+]CCO2)[nH+]1 ZINC000638338552 357460517 /nfs/dbraw/zinc/46/05/17/357460517.db2.gz YPBPNCAKVXRQKS-JTQLQIEISA-N 2 2 252.318 -0.381 20 0 CBADLP C[C@H](C(=O)NC(C)(C)CC[NH3+])N1CC[NH2+]CC1=O ZINC000638355087 357461898 /nfs/dbraw/zinc/46/18/98/357461898.db2.gz DVZQRQBKDGFYAX-SECBINFHSA-N 2 2 256.350 -0.950 20 0 CBADLP CC(C)[C@H]([NH3+])CCNC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638426691 357474104 /nfs/dbraw/zinc/47/41/04/357474104.db2.gz FGDAKHFMCCOZNY-WDEREUQCSA-N 2 2 270.377 -0.704 20 0 CBADLP C[C@@H](Cc1cnccn1)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000638439439 357477755 /nfs/dbraw/zinc/47/77/55/357477755.db2.gz HCUJMSCAERKKIK-LBPRGKRZSA-N 2 2 277.372 -0.229 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@]12C[C@H]1COC2(C)C ZINC000638510487 357491748 /nfs/dbraw/zinc/49/17/48/357491748.db2.gz RSRFXJIYISPMCH-OUJBWJOFSA-N 2 2 255.362 -0.051 20 0 CBADLP CO[C@@H](C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)[C@@H]1CCOC1 ZINC000639350487 357569563 /nfs/dbraw/zinc/56/95/63/357569563.db2.gz ZLSHQUVUSMDFHV-RDBSUJKOSA-N 2 2 299.415 -0.033 20 0 CBADLP CO[C@@H](C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)[C@@H]1CCOC1 ZINC000639350487 357569566 /nfs/dbraw/zinc/56/95/66/357569566.db2.gz ZLSHQUVUSMDFHV-RDBSUJKOSA-N 2 2 299.415 -0.033 20 0 CBADLP CN(Cc1c[nH+]c(N)nc1N)[C@H]1C[NH+]2CCC1CC2 ZINC000639393465 357571590 /nfs/dbraw/zinc/57/15/90/357571590.db2.gz YONHSUCGPGQJQC-NSHDSACASA-N 2 2 262.361 -0.172 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@H]1Cc2ccccc2NC1=O ZINC000638626077 357512885 /nfs/dbraw/zinc/51/28/85/357512885.db2.gz JIXMJANHSNATPN-YPMHNXCESA-N 2 2 290.367 -0.055 20 0 CBADLP C[C@H](C[NH3+])C(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000638731739 357526496 /nfs/dbraw/zinc/52/64/96/357526496.db2.gz QVUIISGADFOODO-TZMCWYRMSA-N 2 2 292.383 -0.007 20 0 CBADLP C[C@H](C[NH3+])C(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000638731739 357526498 /nfs/dbraw/zinc/52/64/98/357526498.db2.gz QVUIISGADFOODO-TZMCWYRMSA-N 2 2 292.383 -0.007 20 0 CBADLP [NH3+]CC(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000638732650 357526540 /nfs/dbraw/zinc/52/65/40/357526540.db2.gz YFPWQCWXRQMCDZ-LBPRGKRZSA-N 2 2 264.329 -0.643 20 0 CBADLP [NH3+]CC(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000638732650 357526542 /nfs/dbraw/zinc/52/65/42/357526542.db2.gz YFPWQCWXRQMCDZ-LBPRGKRZSA-N 2 2 264.329 -0.643 20 0 CBADLP O[C@@H]1C[N@@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C[C@@H]1O ZINC000639508989 357575495 /nfs/dbraw/zinc/57/54/95/357575495.db2.gz WHMQKGVZQIBUQJ-OWCLPIDISA-N 2 2 292.379 -0.339 20 0 CBADLP O[C@@H]1C[N@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C[C@@H]1O ZINC000639508989 357575497 /nfs/dbraw/zinc/57/54/97/357575497.db2.gz WHMQKGVZQIBUQJ-OWCLPIDISA-N 2 2 292.379 -0.339 20 0 CBADLP O[C@@H]1C[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C[C@@H]1O ZINC000639508989 357575499 /nfs/dbraw/zinc/57/54/99/357575499.db2.gz WHMQKGVZQIBUQJ-OWCLPIDISA-N 2 2 292.379 -0.339 20 0 CBADLP O[C@@H]1C[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C[C@@H]1O ZINC000639508989 357575500 /nfs/dbraw/zinc/57/55/00/357575500.db2.gz WHMQKGVZQIBUQJ-OWCLPIDISA-N 2 2 292.379 -0.339 20 0 CBADLP O=C(N[C@@H]1CC[NH2+]C1)c1ccc(-n2cc[nH+]c2)nn1 ZINC000638801686 357531781 /nfs/dbraw/zinc/53/17/81/357531781.db2.gz BBUBFGXFYGKEGR-SECBINFHSA-N 2 2 258.285 -0.246 20 0 CBADLP CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)[C@H]1C[NH+]2CCC1CC2 ZINC000638853787 357538561 /nfs/dbraw/zinc/53/85/61/357538561.db2.gz JSYINICGKDFAGK-STQMWFEESA-N 3 2 268.405 -0.182 20 0 CBADLP CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CCc1c[nH+]cn1C ZINC000639536571 357576604 /nfs/dbraw/zinc/57/66/04/357576604.db2.gz SBGMKPFZFNIQEA-GFCCVEGCSA-N 2 2 286.401 -0.024 20 0 CBADLP CNS(=O)(=O)C[C@H]1CCC[N@H+]1CCc1c[nH+]cn1C ZINC000639536571 357576606 /nfs/dbraw/zinc/57/66/06/357576606.db2.gz SBGMKPFZFNIQEA-GFCCVEGCSA-N 2 2 286.401 -0.024 20 0 CBADLP C[C@H](C(=O)N1C[C@@H]([NH3+])C[C@@H]1C)[NH+]1CCN(C)CC1 ZINC000638929533 357544962 /nfs/dbraw/zinc/54/49/62/357544962.db2.gz BWYINRWIBRLVAQ-TUAOUCFPSA-N 2 2 254.378 -0.430 20 0 CBADLP C[NH+](C)CC(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638984617 357548787 /nfs/dbraw/zinc/54/87/87/357548787.db2.gz PIIUZBSBDUAGAV-UHFFFAOYSA-N 3 2 263.345 -0.009 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCOC(F)(F)F ZINC000639033922 357554802 /nfs/dbraw/zinc/55/48/02/357554802.db2.gz SOOPBARXCGDLOA-ZETCQYMHSA-N 2 2 257.256 -0.082 20 0 CBADLP CN(CC[N@H+](C)C1CC1)Cc1c[nH+]c(N)nc1N ZINC000639176074 357560039 /nfs/dbraw/zinc/56/00/39/357560039.db2.gz WKBWAEISWCMVGX-UHFFFAOYSA-N 2 2 250.350 -0.172 20 0 CBADLP CN(CC[N@@H+](C)C1CC1)Cc1c[nH+]c(N)nc1N ZINC000639176074 357560044 /nfs/dbraw/zinc/56/00/44/357560044.db2.gz WKBWAEISWCMVGX-UHFFFAOYSA-N 2 2 250.350 -0.172 20 0 CBADLP C[NH+](C)CCN(Cc1c[nH+]c(N)nc1N)C[C@@H]1CCCO1 ZINC000639171117 357560701 /nfs/dbraw/zinc/56/07/01/357560701.db2.gz RBTRGUFCJPPOOC-LBPRGKRZSA-N 2 2 294.403 -0.156 20 0 CBADLP C[C@@H]1CN(Cc2c[nH+]c(N)nc2N)C[C@@H]1[NH+](C)C ZINC000639173582 357560890 /nfs/dbraw/zinc/56/08/90/357560890.db2.gz DKIFRWIKHSZQEE-SCZZXKLOSA-N 2 2 250.350 -0.316 20 0 CBADLP CO[C@@H]1C[N@H+](C[C@H](O)C[NH+](C)C2CC2)[C@](C)(CO)C1 ZINC000640003999 357628086 /nfs/dbraw/zinc/62/80/86/357628086.db2.gz KOVUZALDGREFRI-RDBSUJKOSA-N 2 2 272.389 -0.087 20 0 CBADLP CO[C@@H]1C[N@@H+](C[C@H](O)C[NH+](C)C2CC2)[C@](C)(CO)C1 ZINC000640003999 357628087 /nfs/dbraw/zinc/62/80/87/357628087.db2.gz KOVUZALDGREFRI-RDBSUJKOSA-N 2 2 272.389 -0.087 20 0 CBADLP CO[C@@H]1C[NH+](C[C@H](O)C[N@H+](C)C2CC2)[C@](C)(CO)C1 ZINC000640003999 357628088 /nfs/dbraw/zinc/62/80/88/357628088.db2.gz KOVUZALDGREFRI-RDBSUJKOSA-N 2 2 272.389 -0.087 20 0 CBADLP CO[C@@H]1C[NH+](C[C@H](O)C[N@@H+](C)C2CC2)[C@](C)(CO)C1 ZINC000640003999 357628089 /nfs/dbraw/zinc/62/80/89/357628089.db2.gz KOVUZALDGREFRI-RDBSUJKOSA-N 2 2 272.389 -0.087 20 0 CBADLP CCNS(=O)(=O)[C@@H]1CC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000639559515 357578928 /nfs/dbraw/zinc/57/89/28/357578928.db2.gz WZRMPHRJSVFZGY-GFCCVEGCSA-N 2 2 286.401 -0.024 20 0 CBADLP CCNS(=O)(=O)[C@@H]1CC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000639559515 357578930 /nfs/dbraw/zinc/57/89/30/357578930.db2.gz WZRMPHRJSVFZGY-GFCCVEGCSA-N 2 2 286.401 -0.024 20 0 CBADLP C[NH+](C)C[C@@]1(O)CCC[N@H+](CCN2CCCC2=O)C1 ZINC000639764902 357595396 /nfs/dbraw/zinc/59/53/96/357595396.db2.gz XBIHNTKWYQRZQR-AWEZNQCLSA-N 2 2 269.389 -0.003 20 0 CBADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CCN2CCCC2=O)C1 ZINC000639764902 357595400 /nfs/dbraw/zinc/59/54/00/357595400.db2.gz XBIHNTKWYQRZQR-AWEZNQCLSA-N 2 2 269.389 -0.003 20 0 CBADLP CO[C@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)[C@](C)(CO)C1 ZINC000640008500 357629275 /nfs/dbraw/zinc/62/92/75/357629275.db2.gz IURNEUOILLXXOX-OCCSQVGLSA-N 2 2 285.388 -0.768 20 0 CBADLP CO[C@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)[C@](C)(CO)C1 ZINC000640008500 357629277 /nfs/dbraw/zinc/62/92/77/357629277.db2.gz IURNEUOILLXXOX-OCCSQVGLSA-N 2 2 285.388 -0.768 20 0 CBADLP C[NH+](C)C[C@]1(O)CCC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC000639763102 357596333 /nfs/dbraw/zinc/59/63/33/357596333.db2.gz VDJDGMLBUKQQAS-WCQYABFASA-N 2 2 255.362 -0.347 20 0 CBADLP C[NH+](C)C[C@]1(O)CCC[N@H+]([C@H]2CCCNC2=O)C1 ZINC000639763102 357596334 /nfs/dbraw/zinc/59/63/34/357596334.db2.gz VDJDGMLBUKQQAS-WCQYABFASA-N 2 2 255.362 -0.347 20 0 CBADLP C[C@H]1NC(=O)N(CC[N@@H+]2CCC[C@](O)(C[NH+](C)C)C2)C1=O ZINC000639762057 357596363 /nfs/dbraw/zinc/59/63/63/357596363.db2.gz JMZTXHJUOIBEMS-RISCZKNCSA-N 2 2 298.387 -0.685 20 0 CBADLP C[C@H]1NC(=O)N(CC[N@H+]2CCC[C@](O)(C[NH+](C)C)C2)C1=O ZINC000639762057 357596365 /nfs/dbraw/zinc/59/63/65/357596365.db2.gz JMZTXHJUOIBEMS-RISCZKNCSA-N 2 2 298.387 -0.685 20 0 CBADLP CN1CC[C@@H]([N@@H+]2CCC[C@@](O)(C[NH+](C)C)C2)C1=O ZINC000639761698 357596456 /nfs/dbraw/zinc/59/64/56/357596456.db2.gz IKSUPVOCHARNMP-DGCLKSJQSA-N 2 2 255.362 -0.394 20 0 CBADLP CN1CC[C@@H]([N@H+]2CCC[C@@](O)(C[NH+](C)C)C2)C1=O ZINC000639761698 357596458 /nfs/dbraw/zinc/59/64/58/357596458.db2.gz IKSUPVOCHARNMP-DGCLKSJQSA-N 2 2 255.362 -0.394 20 0 CBADLP CN1CCC[C@H]([N@@H+]2CCC[C@@](O)(C[NH+](C)C)C2)C1=O ZINC000639769615 357596722 /nfs/dbraw/zinc/59/67/22/357596722.db2.gz ZLHKIEDZQNYRSG-GXTWGEPZSA-N 2 2 269.389 -0.004 20 0 CBADLP CN1CCC[C@H]([N@H+]2CCC[C@@](O)(C[NH+](C)C)C2)C1=O ZINC000639769615 357596725 /nfs/dbraw/zinc/59/67/25/357596725.db2.gz ZLHKIEDZQNYRSG-GXTWGEPZSA-N 2 2 269.389 -0.004 20 0 CBADLP CC(=O)[C@@](C)(O)C[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639765977 357596834 /nfs/dbraw/zinc/59/68/34/357596834.db2.gz LAPLEOYWQBMLJT-QWHCGFSZSA-N 2 2 258.362 -0.285 20 0 CBADLP CC(=O)[C@@](C)(O)C[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639765977 357596839 /nfs/dbraw/zinc/59/68/39/357596839.db2.gz LAPLEOYWQBMLJT-QWHCGFSZSA-N 2 2 258.362 -0.285 20 0 CBADLP C[NH+](C)C[C@]1(O)CCC[N@H+](C[C@@H]2COCCO2)C1 ZINC000639767839 357597009 /nfs/dbraw/zinc/59/70/09/357597009.db2.gz UAOKMXMYNARXNM-CHWSQXEVSA-N 2 2 258.362 -0.210 20 0 CBADLP C[NH+](C)C[C@]1(O)CCC[N@@H+](C[C@@H]2COCCO2)C1 ZINC000639767839 357597012 /nfs/dbraw/zinc/59/70/12/357597012.db2.gz UAOKMXMYNARXNM-CHWSQXEVSA-N 2 2 258.362 -0.210 20 0 CBADLP CC(=O)[C@](C)(O)C[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639765972 357597389 /nfs/dbraw/zinc/59/73/89/357597389.db2.gz LAPLEOYWQBMLJT-CHWSQXEVSA-N 2 2 258.362 -0.285 20 0 CBADLP CC(=O)[C@](C)(O)C[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639765972 357597392 /nfs/dbraw/zinc/59/73/92/357597392.db2.gz LAPLEOYWQBMLJT-CHWSQXEVSA-N 2 2 258.362 -0.285 20 0 CBADLP C[N@H+](C[C@H](O)C[NH+]1C[C@H](O)C[C@]1(C)CO)C1CC1 ZINC000639847377 357605547 /nfs/dbraw/zinc/60/55/47/357605547.db2.gz AVLXCLZJHVFCDT-FRRDWIJNSA-N 2 2 258.362 -0.741 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH+]1C[C@H](O)C[C@]1(C)CO)C1CC1 ZINC000639847377 357605551 /nfs/dbraw/zinc/60/55/51/357605551.db2.gz AVLXCLZJHVFCDT-FRRDWIJNSA-N 2 2 258.362 -0.741 20 0 CBADLP C[NH+](C[C@H](O)C[N@@H+]1C[C@H](O)C[C@]1(C)CO)C1CC1 ZINC000639847377 357605555 /nfs/dbraw/zinc/60/55/55/357605555.db2.gz AVLXCLZJHVFCDT-FRRDWIJNSA-N 2 2 258.362 -0.741 20 0 CBADLP C[NH+](C[C@H](O)C[N@H+]1C[C@H](O)C[C@]1(C)CO)C1CC1 ZINC000639847377 357605559 /nfs/dbraw/zinc/60/55/59/357605559.db2.gz AVLXCLZJHVFCDT-FRRDWIJNSA-N 2 2 258.362 -0.741 20 0 CBADLP Cn1c[nH+]cc1CC[N@@H+]1CCO[C@H](Cn2ccnn2)C1 ZINC000639856818 357609955 /nfs/dbraw/zinc/60/99/55/357609955.db2.gz XHRSFJALDOHQPM-ZDUSSCGKSA-N 2 2 276.344 -0.045 20 0 CBADLP Cn1c[nH+]cc1CC[N@H+]1CCO[C@H](Cn2ccnn2)C1 ZINC000639856818 357609958 /nfs/dbraw/zinc/60/99/58/357609958.db2.gz XHRSFJALDOHQPM-ZDUSSCGKSA-N 2 2 276.344 -0.045 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC000640322549 357645621 /nfs/dbraw/zinc/64/56/21/357645621.db2.gz QDAURVVJESNFQH-LLVKDONJSA-N 2 2 266.345 -0.465 20 0 CBADLP CC(C)(CNC(=O)C[N@@H+]1C[C@@H]2C[C@]2(O)C1)[NH+]1CCOCC1 ZINC000640473699 357654762 /nfs/dbraw/zinc/65/47/62/357654762.db2.gz KLOOTNXEGHKHRF-WFASDCNBSA-N 2 2 297.399 -0.720 20 0 CBADLP CC(C)(CNC(=O)C[N@H+]1C[C@@H]2C[C@]2(O)C1)[NH+]1CCOCC1 ZINC000640473699 357654766 /nfs/dbraw/zinc/65/47/66/357654766.db2.gz KLOOTNXEGHKHRF-WFASDCNBSA-N 2 2 297.399 -0.720 20 0 CBADLP c1c(C[C@H]2CC[NH2+]C2)nnn1CC[NH+]1CCOCC1 ZINC000641032624 357672604 /nfs/dbraw/zinc/67/26/04/357672604.db2.gz HMRCBQQAWOZKCQ-GFCCVEGCSA-N 2 2 265.361 -0.238 20 0 CBADLP O=C(N[C@@H]1CCC[NH2+]C1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000641099648 357676282 /nfs/dbraw/zinc/67/62/82/357676282.db2.gz HJTHYAYUVLRQKW-GFCCVEGCSA-N 2 2 292.387 -0.011 20 0 CBADLP C[NH+]1CCN(Cc2cn(CCn3cc[nH+]c3)nn2)CC1 ZINC000641124110 357677088 /nfs/dbraw/zinc/67/70/88/357677088.db2.gz VUAQLPKHVTURES-UHFFFAOYSA-N 2 2 275.360 -0.078 20 0 CBADLP C[N@H+](CCCN1CCCC1=O)CC(=O)N1CC[NH+](C)CC1 ZINC000640059659 357633782 /nfs/dbraw/zinc/63/37/82/357633782.db2.gz VKZQAHPTKQXGBN-UHFFFAOYSA-N 2 2 296.415 -0.295 20 0 CBADLP C[N@@H+](CCCN1CCCC1=O)CC(=O)N1CC[NH+](C)CC1 ZINC000640059659 357633786 /nfs/dbraw/zinc/63/37/86/357633786.db2.gz VKZQAHPTKQXGBN-UHFFFAOYSA-N 2 2 296.415 -0.295 20 0 CBADLP CO[C@H](C[N@H+](C)CC(=O)N1CC[NH+](C)CC1)[C@@H]1CCOC1 ZINC000640064415 357633959 /nfs/dbraw/zinc/63/39/59/357633959.db2.gz VMLXJYKKPNDNOS-ZIAGYGMSSA-N 2 2 299.415 -0.256 20 0 CBADLP CO[C@H](C[N@@H+](C)CC(=O)N1CC[NH+](C)CC1)[C@@H]1CCOC1 ZINC000640064415 357633964 /nfs/dbraw/zinc/63/39/64/357633964.db2.gz VMLXJYKKPNDNOS-ZIAGYGMSSA-N 2 2 299.415 -0.256 20 0 CBADLP C[NH+](C)CC1CN(S(=O)(=O)CCn2cc[nH+]c2)C1 ZINC000641516016 357716271 /nfs/dbraw/zinc/71/62/71/357716271.db2.gz HOGSRLAOHXSYSW-UHFFFAOYSA-N 2 2 272.374 -0.294 20 0 CBADLP C[C@@H](CNS(=O)(=O)CCn1cc[nH+]c1)[NH+](C)C ZINC000641523921 357718993 /nfs/dbraw/zinc/71/89/93/357718993.db2.gz AMXFNGSOWFKSEM-JTQLQIEISA-N 2 2 260.363 -0.247 20 0 CBADLP O[C@H](Cn1cc(C[NH+]2CCCC2)nn1)C[NH+]1CCOCC1 ZINC000641206892 357679519 /nfs/dbraw/zinc/67/95/19/357679519.db2.gz DESQPAZJKXDTQG-AWEZNQCLSA-N 2 2 295.387 -0.433 20 0 CBADLP CC[N@H+](C)C[C@@H](O)Cn1cc(C[NH+](C)CCOC)nn1 ZINC000641223136 357682853 /nfs/dbraw/zinc/68/28/53/357682853.db2.gz QGEIUFYIQKJNJL-CYBMUJFWSA-N 2 2 285.392 -0.331 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)Cn1cc(C[NH+](C)CCOC)nn1 ZINC000641223136 357682857 /nfs/dbraw/zinc/68/28/57/357682857.db2.gz QGEIUFYIQKJNJL-CYBMUJFWSA-N 2 2 285.392 -0.331 20 0 CBADLP CC[NH+](C)C[C@@H](O)Cn1cc(C[N@H+](C)CCOC)nn1 ZINC000641223136 357682859 /nfs/dbraw/zinc/68/28/59/357682859.db2.gz QGEIUFYIQKJNJL-CYBMUJFWSA-N 2 2 285.392 -0.331 20 0 CBADLP CC[NH+](C)C[C@@H](O)Cn1cc(C[N@@H+](C)CCOC)nn1 ZINC000641223136 357682863 /nfs/dbraw/zinc/68/28/63/357682863.db2.gz QGEIUFYIQKJNJL-CYBMUJFWSA-N 2 2 285.392 -0.331 20 0 CBADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)C(C)(C)C2)CC[NH2+]1 ZINC000641824920 357746503 /nfs/dbraw/zinc/74/65/03/357746503.db2.gz OEMIXYMSBVJBIZ-LLVKDONJSA-N 2 2 282.388 -0.641 20 0 CBADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)C(C)(C)C2)CC[NH2+]1 ZINC000641824920 357746507 /nfs/dbraw/zinc/74/65/07/357746507.db2.gz OEMIXYMSBVJBIZ-LLVKDONJSA-N 2 2 282.388 -0.641 20 0 CBADLP C[NH2+]CCNC(=O)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000642789173 357763579 /nfs/dbraw/zinc/76/35/79/357763579.db2.gz UDRGTMLLQYJCQD-CYBMUJFWSA-N 2 2 290.367 -0.375 20 0 CBADLP C[NH2+]CCNC(=O)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000642789173 357763584 /nfs/dbraw/zinc/76/35/84/357763584.db2.gz UDRGTMLLQYJCQD-CYBMUJFWSA-N 2 2 290.367 -0.375 20 0 CBADLP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000642989672 357774624 /nfs/dbraw/zinc/77/46/24/357774624.db2.gz GCHZPEJMEXTVOL-AAEUAGOBSA-N 2 2 294.399 -0.450 20 0 CBADLP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[NH+](C)CC2)CC[NH2+]1 ZINC000643592477 357791547 /nfs/dbraw/zinc/79/15/47/357791547.db2.gz ONUFQRRHNACENB-GFCCVEGCSA-N 2 2 282.388 -0.783 20 0 CBADLP C[C@@H](O)CNc1cc(NC[C@H]2C[N@H+](C)CCN2C)nc[nH+]1 ZINC000294458691 199047922 /nfs/dbraw/zinc/04/79/22/199047922.db2.gz QJZFUYZOIFFSME-NEPJUHHUSA-N 2 2 294.403 -0.073 20 0 CBADLP C[C@@H](O)CNc1cc(NC[C@H]2C[N@@H+](C)CCN2C)nc[nH+]1 ZINC000294458691 199047924 /nfs/dbraw/zinc/04/79/24/199047924.db2.gz QJZFUYZOIFFSME-NEPJUHHUSA-N 2 2 294.403 -0.073 20 0 CBADLP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261569172 283364187 /nfs/dbraw/zinc/36/41/87/283364187.db2.gz JOHUCBXYROMLHR-JOYOIKCWSA-N 2 2 254.334 -0.484 20 0 CBADLP CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261569172 283364188 /nfs/dbraw/zinc/36/41/88/283364188.db2.gz JOHUCBXYROMLHR-JOYOIKCWSA-N 2 2 254.334 -0.484 20 0 CBADLP COC(=O)NCC[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000496564966 291200006 /nfs/dbraw/zinc/20/00/06/291200006.db2.gz BHLAKZBYCWMMNT-TUAOUCFPSA-N 2 2 289.376 -0.598 20 0 CBADLP COC(=O)NCC[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000496564966 291200008 /nfs/dbraw/zinc/20/00/08/291200008.db2.gz BHLAKZBYCWMMNT-TUAOUCFPSA-N 2 2 289.376 -0.598 20 0 CBADLP O=C([C@@H]1CCC[NH2+]1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000062976692 296015687 /nfs/dbraw/zinc/01/56/87/296015687.db2.gz JRWXUCAMBVZOBR-NEPJUHHUSA-N 2 2 253.346 -0.329 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000342057260 216203926 /nfs/dbraw/zinc/20/39/26/216203926.db2.gz IBQMXGVWSPLFHZ-CYBMUJFWSA-N 2 2 298.431 -0.101 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000342057260 216203929 /nfs/dbraw/zinc/20/39/29/216203929.db2.gz IBQMXGVWSPLFHZ-CYBMUJFWSA-N 2 2 298.431 -0.101 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](OCCO)C2)CC1 ZINC000180496340 189258858 /nfs/dbraw/zinc/25/88/58/189258858.db2.gz GDUTZKKDSVZVSO-CYBMUJFWSA-N 2 2 285.388 -0.766 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](OCCO)C2)CC1 ZINC000180496340 189258859 /nfs/dbraw/zinc/25/88/59/189258859.db2.gz GDUTZKKDSVZVSO-CYBMUJFWSA-N 2 2 285.388 -0.766 20 0 CBADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000182397912 189322201 /nfs/dbraw/zinc/32/22/01/189322201.db2.gz QEGQPHAVRYKKGE-VXGBXAGGSA-N 2 2 283.372 -0.166 20 0 CBADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000182397851 189322465 /nfs/dbraw/zinc/32/24/65/189322465.db2.gz QEGQPHAVRYKKGE-RYUDHWBXSA-N 2 2 283.372 -0.166 20 0 CBADLP CC[C@H](C)[C@H]([NH3+])C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000182821793 189336057 /nfs/dbraw/zinc/33/60/57/189336057.db2.gz QVQFQNPZWCIWIK-AVGNSLFASA-N 2 2 287.404 -0.489 20 0 CBADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000342519957 216382525 /nfs/dbraw/zinc/38/25/25/216382525.db2.gz ZSIXJDVWWLSYEP-BFHYXJOUSA-N 2 2 282.432 -0.064 20 0 CBADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000342519957 216382527 /nfs/dbraw/zinc/38/25/27/216382527.db2.gz ZSIXJDVWWLSYEP-BFHYXJOUSA-N 2 2 282.432 -0.064 20 0 CBADLP C[NH+](C)CC(=O)NCc1ccnc(NC(=O)C[NH+](C)C)c1 ZINC000275503067 193059937 /nfs/dbraw/zinc/05/99/37/193059937.db2.gz HDANWGSTLRDFCQ-UHFFFAOYSA-N 2 2 293.371 -0.241 20 0 CBADLP C[C@]1(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC[NH2+]C1 ZINC000514949308 291380346 /nfs/dbraw/zinc/38/03/46/291380346.db2.gz DKQTYRGGPKOFKQ-MDZLAQPJSA-N 3 2 252.362 -0.770 20 0 CBADLP C[C@]1(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC[NH2+]C1 ZINC000514949308 291380349 /nfs/dbraw/zinc/38/03/49/291380349.db2.gz DKQTYRGGPKOFKQ-MDZLAQPJSA-N 3 2 252.362 -0.770 20 0 CBADLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000424336883 299370211 /nfs/dbraw/zinc/37/02/11/299370211.db2.gz RJTQBFUBWNAGJV-UMSGYPCISA-N 2 2 296.415 -0.042 20 0 CBADLP CN(CC[NH+](C)C)C(=O)C(=O)NCCCCn1cc[nH+]c1 ZINC000551628711 283961821 /nfs/dbraw/zinc/96/18/21/283961821.db2.gz AEOFYKBOHMDZFX-UHFFFAOYSA-N 2 2 295.387 -0.201 20 0 CBADLP C[C@@H](NC(=O)CCc1c[nH+]cn1C)C(=O)NCC[NH+](C)C ZINC000552077310 283974604 /nfs/dbraw/zinc/97/46/04/283974604.db2.gz DIBSTMLBAZGFJE-LLVKDONJSA-N 2 2 295.387 -0.465 20 0 CBADLP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2nnnn2C)CC1 ZINC000330647177 203074490 /nfs/dbraw/zinc/07/44/90/203074490.db2.gz HFEKPQQKEUGFKO-LLVKDONJSA-N 2 2 282.392 -0.265 20 0 CBADLP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2nnnn2C)CC1 ZINC000330647177 203074492 /nfs/dbraw/zinc/07/44/92/203074492.db2.gz HFEKPQQKEUGFKO-LLVKDONJSA-N 2 2 282.392 -0.265 20 0 CBADLP CC[C@@H]([NH3+])C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@H]1C ZINC000574328762 335010906 /nfs/dbraw/zinc/01/09/06/335010906.db2.gz XNFGLZMWOOELID-GHMZBOCLSA-N 2 2 271.361 -0.181 20 0 CBADLP CC[N@H+](C)C[C@H](O)CN1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000574336222 335011746 /nfs/dbraw/zinc/01/17/46/335011746.db2.gz LOVHPYXBGVRDPB-ILXRZTDVSA-N 2 2 285.432 -0.049 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000574336222 335011750 /nfs/dbraw/zinc/01/17/50/335011750.db2.gz LOVHPYXBGVRDPB-ILXRZTDVSA-N 2 2 285.432 -0.049 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000574336222 335011751 /nfs/dbraw/zinc/01/17/51/335011751.db2.gz LOVHPYXBGVRDPB-ILXRZTDVSA-N 2 2 285.432 -0.049 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000574336222 335011752 /nfs/dbraw/zinc/01/17/52/335011752.db2.gz LOVHPYXBGVRDPB-ILXRZTDVSA-N 2 2 285.432 -0.049 20 0 CBADLP O=C(N[C@@H]1CCc2[nH+]ccn2C1)c1[nH]nc2c1C[NH2+]CC2 ZINC000364735425 284120171 /nfs/dbraw/zinc/12/01/71/284120171.db2.gz UMDRKPQMGRATDU-SECBINFHSA-N 2 2 286.339 -0.003 20 0 CBADLP COC(=O)[C@](C)(O)C[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000330853478 203315499 /nfs/dbraw/zinc/31/54/99/203315499.db2.gz RHHXQRVSUVGTKJ-CYBMUJFWSA-N 2 2 282.344 -0.549 20 0 CBADLP COC(=O)[C@@](C)(O)C[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000330853480 203316102 /nfs/dbraw/zinc/31/61/02/203316102.db2.gz RHHXQRVSUVGTKJ-ZDUSSCGKSA-N 2 2 282.344 -0.549 20 0 CBADLP COCC[NH+]1CCC([NH2+][C@@H](C)C(=O)NC(N)=O)CC1 ZINC000330907924 203376836 /nfs/dbraw/zinc/37/68/36/203376836.db2.gz WNGDJQRPECRZPY-VIFPVBQESA-N 2 2 272.349 -0.316 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H](C)CN2CC[NH+](C)CC2)C1 ZINC000353317557 220024943 /nfs/dbraw/zinc/02/49/43/220024943.db2.gz WEUAUSBFWJTQLN-ZIAGYGMSSA-N 2 2 298.431 -0.541 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@H](C)CN2CC[NH+](C)CC2)C1 ZINC000353317557 220024944 /nfs/dbraw/zinc/02/49/44/220024944.db2.gz WEUAUSBFWJTQLN-ZIAGYGMSSA-N 2 2 298.431 -0.541 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)C[C@@H]2COCC[NH2+]2)CCO1 ZINC000574403055 335016770 /nfs/dbraw/zinc/01/67/70/335016770.db2.gz VSZLNDPMFRNLJY-VXGBXAGGSA-N 2 2 271.361 -0.798 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)C[C@@H]2COCC[NH2+]2)CCO1 ZINC000574403055 335016771 /nfs/dbraw/zinc/01/67/71/335016771.db2.gz VSZLNDPMFRNLJY-VXGBXAGGSA-N 2 2 271.361 -0.798 20 0 CBADLP C[C@H]1C[C@@H](CO)CC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000344188448 217090797 /nfs/dbraw/zinc/09/07/97/217090797.db2.gz WCURQAMIXLJTQF-STQMWFEESA-N 2 2 269.389 -0.147 20 0 CBADLP C[C@H]1C[C@@H](CO)CC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000344188448 217090799 /nfs/dbraw/zinc/09/07/99/217090799.db2.gz WCURQAMIXLJTQF-STQMWFEESA-N 2 2 269.389 -0.147 20 0 CBADLP CC1(C)CN(C(=O)C(=O)N2CCn3c[nH+]cc3C2)CC[NH2+]1 ZINC000332611626 204830955 /nfs/dbraw/zinc/83/09/55/204830955.db2.gz LSHAKZPIUWTTKU-UHFFFAOYSA-N 2 2 291.355 -0.564 20 0 CBADLP CO[C@@H](C[NH3+])C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000353422108 220072446 /nfs/dbraw/zinc/07/24/46/220072446.db2.gz AKZARPZSKJFESV-NSHDSACASA-N 2 2 266.345 -0.148 20 0 CBADLP O=C([C@@H]1CCC[NH2+]1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000062976691 372762942 /nfs/dbraw/zinc/76/29/42/372762942.db2.gz JRWXUCAMBVZOBR-RYUDHWBXSA-N 2 2 253.346 -0.329 20 0 CBADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCC[NH+]1CCOCC1 ZINC000333141560 205066132 /nfs/dbraw/zinc/06/61/32/205066132.db2.gz JLABJHAKQVQBTG-NEPJUHHUSA-N 2 2 270.377 -0.384 20 0 CBADLP O=S1(=O)CCC[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000069144323 372767071 /nfs/dbraw/zinc/76/70/71/372767071.db2.gz QUEOEYZFUYHFFU-NEPJUHHUSA-N 2 2 276.402 -0.390 20 0 CBADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000353425107 220074774 /nfs/dbraw/zinc/07/47/74/220074774.db2.gz IPKLPCOVGYXQON-NEPJUHHUSA-N 2 2 255.362 -0.489 20 0 CBADLP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](CC(N)=O)CC2)C1 ZINC000105845602 372783098 /nfs/dbraw/zinc/78/30/98/372783098.db2.gz IXPHGPXCOHQYHH-CYBMUJFWSA-N 2 2 284.404 -0.802 20 0 CBADLP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](CC(N)=O)CC2)C1 ZINC000105845602 372783101 /nfs/dbraw/zinc/78/31/01/372783101.db2.gz IXPHGPXCOHQYHH-CYBMUJFWSA-N 2 2 284.404 -0.802 20 0 CBADLP CCOCC[NH+]1CCN(C(=O)[C@@H](C[NH3+])OC)CC1 ZINC000353441868 220086329 /nfs/dbraw/zinc/08/63/29/220086329.db2.gz FNAWLKXTPTZXAG-LLVKDONJSA-N 2 2 259.350 -0.859 20 0 CBADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000353472031 220101981 /nfs/dbraw/zinc/10/19/81/220101981.db2.gz PPLMHQUCRHPXKS-LBPRGKRZSA-N 2 2 282.388 -0.591 20 0 CBADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000353472031 220101984 /nfs/dbraw/zinc/10/19/84/220101984.db2.gz PPLMHQUCRHPXKS-LBPRGKRZSA-N 2 2 282.388 -0.591 20 0 CBADLP CC[N@@H+]1CC[C@H](CNC(=O)C[NH+](C)CC(=O)NC(C)C)C1 ZINC000344657391 217264939 /nfs/dbraw/zinc/26/49/39/217264939.db2.gz HUDHAFZIBNKAEP-CYBMUJFWSA-N 2 2 298.431 -0.099 20 0 CBADLP CC[N@H+]1CC[C@H](CNC(=O)C[NH+](C)CC(=O)NC(C)C)C1 ZINC000344657391 217264940 /nfs/dbraw/zinc/26/49/40/217264940.db2.gz HUDHAFZIBNKAEP-CYBMUJFWSA-N 2 2 298.431 -0.099 20 0 CBADLP CC[NH+]1CC[C@H](CNC(=O)C[N@H+](C)CC(=O)NC(C)C)C1 ZINC000344657391 217264942 /nfs/dbraw/zinc/26/49/42/217264942.db2.gz HUDHAFZIBNKAEP-CYBMUJFWSA-N 2 2 298.431 -0.099 20 0 CBADLP CC[NH+]1CC[C@H](CNC(=O)C[N@@H+](C)CC(=O)NC(C)C)C1 ZINC000344657391 217264944 /nfs/dbraw/zinc/26/49/44/217264944.db2.gz HUDHAFZIBNKAEP-CYBMUJFWSA-N 2 2 298.431 -0.099 20 0 CBADLP C[N@H+]1C[C@@H]2C[NH+](CCN3C(=O)NC(C)(C)C3=O)C[C@@H]2C1 ZINC000193655319 372859798 /nfs/dbraw/zinc/85/97/98/372859798.db2.gz VFGWVJDWLWXTFL-PHIMTYICSA-N 2 2 280.372 -0.190 20 0 CBADLP C[N@@H+]1C[C@@H]2C[NH+](CCN3C(=O)NC(C)(C)C3=O)C[C@@H]2C1 ZINC000193655319 372859803 /nfs/dbraw/zinc/85/98/03/372859803.db2.gz VFGWVJDWLWXTFL-PHIMTYICSA-N 2 2 280.372 -0.190 20 0 CBADLP C[NH+]1C[C@@H]2C[N@@H+](CCN3C(=O)NC(C)(C)C3=O)C[C@@H]2C1 ZINC000193655319 372859808 /nfs/dbraw/zinc/85/98/08/372859808.db2.gz VFGWVJDWLWXTFL-PHIMTYICSA-N 2 2 280.372 -0.190 20 0 CBADLP C[NH+]1C[C@@H]2C[N@H+](CCN3C(=O)NC(C)(C)C3=O)C[C@@H]2C1 ZINC000193655319 372859811 /nfs/dbraw/zinc/85/98/11/372859811.db2.gz VFGWVJDWLWXTFL-PHIMTYICSA-N 2 2 280.372 -0.190 20 0 CBADLP C[N@@H+]1CCC[C@@H]2C[NH+](CCNS(C)(=O)=O)CC[C@H]21 ZINC000248002130 372888968 /nfs/dbraw/zinc/88/89/68/372888968.db2.gz KMYUQLVBURFJKK-VXGBXAGGSA-N 2 2 275.418 -0.048 20 0 CBADLP C[N@H+]1CCC[C@@H]2C[NH+](CCNS(C)(=O)=O)CC[C@H]21 ZINC000248002130 372888976 /nfs/dbraw/zinc/88/89/76/372888976.db2.gz KMYUQLVBURFJKK-VXGBXAGGSA-N 2 2 275.418 -0.048 20 0 CBADLP C[NH+]1CCC[C@@H]2C[N@H+](CCNS(C)(=O)=O)CC[C@H]21 ZINC000248002130 372888986 /nfs/dbraw/zinc/88/89/86/372888986.db2.gz KMYUQLVBURFJKK-VXGBXAGGSA-N 2 2 275.418 -0.048 20 0 CBADLP C[NH+]1CCC[C@@H]2C[N@@H+](CCNS(C)(=O)=O)CC[C@H]21 ZINC000248002130 372888989 /nfs/dbraw/zinc/88/89/89/372888989.db2.gz KMYUQLVBURFJKK-VXGBXAGGSA-N 2 2 275.418 -0.048 20 0 CBADLP C[C@@]1(O)CC[N@H+](C[C@H](O)C[NH+]2CC[C@](C)(O)C2)C1 ZINC000248731277 372892316 /nfs/dbraw/zinc/89/23/16/372892316.db2.gz KRDUYTLSYJUMED-CLLJXQQHSA-N 2 2 258.362 -0.739 20 0 CBADLP C[C@@]1(O)CC[N@@H+](C[C@H](O)C[NH+]2CC[C@](C)(O)C2)C1 ZINC000248731277 372892322 /nfs/dbraw/zinc/89/23/22/372892322.db2.gz KRDUYTLSYJUMED-CLLJXQQHSA-N 2 2 258.362 -0.739 20 0 CBADLP C[C@@]1(O)CC[NH+](C[C@H](O)C[N@@H+]2CC[C@](C)(O)C2)C1 ZINC000248731277 372892325 /nfs/dbraw/zinc/89/23/25/372892325.db2.gz KRDUYTLSYJUMED-CLLJXQQHSA-N 2 2 258.362 -0.739 20 0 CBADLP C[C@@]1(O)CC[NH+](C[C@H](O)C[N@H+]2CC[C@](C)(O)C2)C1 ZINC000248731277 372892330 /nfs/dbraw/zinc/89/23/30/372892330.db2.gz KRDUYTLSYJUMED-CLLJXQQHSA-N 2 2 258.362 -0.739 20 0 CBADLP CN1C(=O)NCC12CC[NH+](C[C@@H](O)C[N@H+](C)C1CC1)CC2 ZINC000333327741 205221928 /nfs/dbraw/zinc/22/19/28/205221928.db2.gz AKJPIFSNNFQKDB-ZDUSSCGKSA-N 2 2 296.415 -0.069 20 0 CBADLP CN1C(=O)NCC12CC[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)CC2 ZINC000333327741 205221932 /nfs/dbraw/zinc/22/19/32/205221932.db2.gz AKJPIFSNNFQKDB-ZDUSSCGKSA-N 2 2 296.415 -0.069 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)NCCc2[nH]cc[nH+]2)C1 ZINC000353497230 220116477 /nfs/dbraw/zinc/11/64/77/220116477.db2.gz CIBNDNBAESCICZ-JTQLQIEISA-N 2 2 252.318 -0.211 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)NCCc2[nH]cc[nH+]2)C1 ZINC000353497230 220116480 /nfs/dbraw/zinc/11/64/80/220116480.db2.gz CIBNDNBAESCICZ-JTQLQIEISA-N 2 2 252.318 -0.211 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[NH+](C)CCN2C)C1 ZINC000353497208 220116812 /nfs/dbraw/zinc/11/68/12/220116812.db2.gz CDCFJLKODLHSQH-STQMWFEESA-N 2 2 284.404 -0.931 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[NH+](C)CCN2C)C1 ZINC000353497208 220116817 /nfs/dbraw/zinc/11/68/17/220116817.db2.gz CDCFJLKODLHSQH-STQMWFEESA-N 2 2 284.404 -0.931 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)NC[C@H]2C[N@H+](C)CCN2C)C1 ZINC000353497208 220116819 /nfs/dbraw/zinc/11/68/19/220116819.db2.gz CDCFJLKODLHSQH-STQMWFEESA-N 2 2 284.404 -0.931 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)NC[C@H]2C[N@@H+](C)CCN2C)C1 ZINC000353497208 220116821 /nfs/dbraw/zinc/11/68/21/220116821.db2.gz CDCFJLKODLHSQH-STQMWFEESA-N 2 2 284.404 -0.931 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)C2CC(O)C2)CC1 ZINC000353510421 220124799 /nfs/dbraw/zinc/12/47/99/220124799.db2.gz JFQHJWDYDDSSSM-HIFPTAJRSA-N 2 2 269.389 -0.006 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)C2CC(O)C2)CC1 ZINC000353510421 220124802 /nfs/dbraw/zinc/12/48/02/220124802.db2.gz JFQHJWDYDDSSSM-HIFPTAJRSA-N 2 2 269.389 -0.006 20 0 CBADLP CN1C(=O)N[C@]2(CC[N@H+](C[C@H](O)C[NH+](C)C3CC3)C2)C1=O ZINC000329826004 372981415 /nfs/dbraw/zinc/98/14/15/372981415.db2.gz IIJBCJMECLDRRO-RISCZKNCSA-N 2 2 296.371 -0.728 20 0 CBADLP CN1C(=O)N[C@]2(CC[N@@H+](C[C@H](O)C[NH+](C)C3CC3)C2)C1=O ZINC000329826004 372981422 /nfs/dbraw/zinc/98/14/22/372981422.db2.gz IIJBCJMECLDRRO-RISCZKNCSA-N 2 2 296.371 -0.728 20 0 CBADLP CN1C(=O)N[C@]2(CC[NH+](C[C@H](O)C[N@H+](C)C3CC3)C2)C1=O ZINC000329826004 372981425 /nfs/dbraw/zinc/98/14/25/372981425.db2.gz IIJBCJMECLDRRO-RISCZKNCSA-N 2 2 296.371 -0.728 20 0 CBADLP CN1C(=O)N[C@]2(CC[NH+](C[C@H](O)C[N@@H+](C)C3CC3)C2)C1=O ZINC000329826004 372981432 /nfs/dbraw/zinc/98/14/32/372981432.db2.gz IIJBCJMECLDRRO-RISCZKNCSA-N 2 2 296.371 -0.728 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)C1 ZINC000330947833 372994031 /nfs/dbraw/zinc/99/40/31/372994031.db2.gz HWIPPFQZSLSHLW-NWDGAFQWSA-N 2 2 298.387 -0.177 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)C1 ZINC000330947833 372994034 /nfs/dbraw/zinc/99/40/34/372994034.db2.gz HWIPPFQZSLSHLW-NWDGAFQWSA-N 2 2 298.387 -0.177 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC000330947833 372994037 /nfs/dbraw/zinc/99/40/37/372994037.db2.gz HWIPPFQZSLSHLW-NWDGAFQWSA-N 2 2 298.387 -0.177 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)C1 ZINC000330947833 372994038 /nfs/dbraw/zinc/99/40/38/372994038.db2.gz HWIPPFQZSLSHLW-NWDGAFQWSA-N 2 2 298.387 -0.177 20 0 CBADLP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)N1CCn2cc[nH+]c2C1 ZINC000332619271 373005391 /nfs/dbraw/zinc/00/53/91/373005391.db2.gz NKVKKTBUFZCSEG-WDEREUQCSA-N 2 2 291.355 -0.566 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000333070470 373008171 /nfs/dbraw/zinc/00/81/71/373008171.db2.gz UXKVSECEDLZJSV-TZMCWYRMSA-N 2 2 285.388 -0.720 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000333070470 373008176 /nfs/dbraw/zinc/00/81/76/373008176.db2.gz UXKVSECEDLZJSV-TZMCWYRMSA-N 2 2 285.388 -0.720 20 0 CBADLP Cc1nc(N2CCN(C(=O)N[C@@H]3CC[NH2+]C3)CC2)cc[nH+]1 ZINC000333484443 373011747 /nfs/dbraw/zinc/01/17/47/373011747.db2.gz CMTOVPOMVPFMNB-GFCCVEGCSA-N 2 2 290.371 -0.021 20 0 CBADLP COCCCS(=O)(=O)NCC[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000337776441 373026783 /nfs/dbraw/zinc/02/67/83/373026783.db2.gz XZZIFSPOJFPDMQ-GFCCVEGCSA-N 2 2 293.433 -0.387 20 0 CBADLP COCCCS(=O)(=O)NCC[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000337776441 373026789 /nfs/dbraw/zinc/02/67/89/373026789.db2.gz XZZIFSPOJFPDMQ-GFCCVEGCSA-N 2 2 293.433 -0.387 20 0 CBADLP CC[C@H](Cn1cncn1)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000340472785 373039493 /nfs/dbraw/zinc/03/94/93/373039493.db2.gz BOEZIGWHHUBALR-OLZOCXBDSA-N 2 2 294.403 -0.014 20 0 CBADLP CC[C@H](Cn1cncn1)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000340472785 373039505 /nfs/dbraw/zinc/03/95/05/373039505.db2.gz BOEZIGWHHUBALR-OLZOCXBDSA-N 2 2 294.403 -0.014 20 0 CBADLP CN(C(=O)NC[C@H]1C[N@H+](C)CCO1)C1CC([NH3+])C1 ZINC000333472225 205349579 /nfs/dbraw/zinc/34/95/79/205349579.db2.gz AMGCQLAJFXJDBA-ILDUYXDCSA-N 2 2 256.350 -0.552 20 0 CBADLP CN(C(=O)NC[C@H]1C[N@@H+](C)CCO1)C1CC([NH3+])C1 ZINC000333472225 205349581 /nfs/dbraw/zinc/34/95/81/205349581.db2.gz AMGCQLAJFXJDBA-ILDUYXDCSA-N 2 2 256.350 -0.552 20 0 CBADLP [NH3+][C@@H]1CCc2ncc(NC(=O)[C@H]3COCC[NH2+]3)cc2C1 ZINC000348996303 373087496 /nfs/dbraw/zinc/08/74/96/373087496.db2.gz XGCYLTJXMJBEIJ-ZWNOBZJWSA-N 2 2 276.340 -0.176 20 0 CBADLP CCC[C@H]([NH3+])C(=O)N1CCC[N@H+](CC(=O)NCC)CC1 ZINC000353474462 373112891 /nfs/dbraw/zinc/11/28/91/373112891.db2.gz VLYSAIZKJGWEDA-LBPRGKRZSA-N 2 2 284.404 -0.216 20 0 CBADLP CCC[C@H]([NH3+])C(=O)N1CCC[N@@H+](CC(=O)NCC)CC1 ZINC000353474462 373112896 /nfs/dbraw/zinc/11/28/96/373112896.db2.gz VLYSAIZKJGWEDA-LBPRGKRZSA-N 2 2 284.404 -0.216 20 0 CBADLP CO[C@H](C[NH3+])C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000353514801 373113886 /nfs/dbraw/zinc/11/38/86/373113886.db2.gz LOTODNILGLWQHD-NWDGAFQWSA-N 2 2 271.361 -0.717 20 0 CBADLP COCCn1cc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)cn1 ZINC000344843449 217331241 /nfs/dbraw/zinc/33/12/41/217331241.db2.gz FYONHNYCRBRXTC-CYBMUJFWSA-N 2 2 270.377 -0.068 20 0 CBADLP CC[C@H](C(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)OC)[NH+](C)C ZINC000355742037 373154191 /nfs/dbraw/zinc/15/41/91/373154191.db2.gz CFNOEYXCDZSGDL-GHMZBOCLSA-N 2 2 282.344 -0.050 20 0 CBADLP CC[C@H](C(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)OC)[NH+](C)C ZINC000355742037 373154197 /nfs/dbraw/zinc/15/41/97/373154197.db2.gz CFNOEYXCDZSGDL-GHMZBOCLSA-N 2 2 282.344 -0.050 20 0 CBADLP COC(=O)CNC(=O)C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000355339084 373129087 /nfs/dbraw/zinc/12/90/87/373129087.db2.gz HVCSFYQBQRWESP-CYBMUJFWSA-N 2 2 297.399 -0.061 20 0 CBADLP COC(=O)CNC(=O)C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000355339084 373129092 /nfs/dbraw/zinc/12/90/92/373129092.db2.gz HVCSFYQBQRWESP-CYBMUJFWSA-N 2 2 297.399 -0.061 20 0 CBADLP COC(=O)CNC(=O)C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000355339084 373129094 /nfs/dbraw/zinc/12/90/94/373129094.db2.gz HVCSFYQBQRWESP-CYBMUJFWSA-N 2 2 297.399 -0.061 20 0 CBADLP COC(=O)CNC(=O)C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000355339084 373129098 /nfs/dbraw/zinc/12/90/98/373129098.db2.gz HVCSFYQBQRWESP-CYBMUJFWSA-N 2 2 297.399 -0.061 20 0 CBADLP CC[N@@H+]1CC[C@@H]2OCCN(C(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC000355360099 373132132 /nfs/dbraw/zinc/13/21/32/373132132.db2.gz GOANPOXBYKVCML-HZSPNIEDSA-N 2 2 297.399 -0.361 20 0 CBADLP CC[N@H+]1CC[C@@H]2OCCN(C(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC000355360099 373132141 /nfs/dbraw/zinc/13/21/41/373132141.db2.gz GOANPOXBYKVCML-HZSPNIEDSA-N 2 2 297.399 -0.361 20 0 CBADLP CC[NH+]1CC[C@@H]2OCCN(C(=O)[C@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC000355360099 373132150 /nfs/dbraw/zinc/13/21/50/373132150.db2.gz GOANPOXBYKVCML-HZSPNIEDSA-N 2 2 297.399 -0.361 20 0 CBADLP CC[NH+]1CC[C@@H]2OCCN(C(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC000355360099 373132157 /nfs/dbraw/zinc/13/21/57/373132157.db2.gz GOANPOXBYKVCML-HZSPNIEDSA-N 2 2 297.399 -0.361 20 0 CBADLP C[NH+](C)CCOCCNC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000360591720 373212191 /nfs/dbraw/zinc/21/21/91/373212191.db2.gz RIZXRTAGTCAEIR-UHFFFAOYSA-N 2 2 299.415 -0.064 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)c1ccnc(C[NH3+])c1 ZINC000361627390 373319859 /nfs/dbraw/zinc/31/98/59/373319859.db2.gz NBRVJVRUGNINSJ-LLVKDONJSA-N 2 2 278.356 -0.009 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)c1ccnc(C[NH3+])c1 ZINC000361627390 373319871 /nfs/dbraw/zinc/31/98/71/373319871.db2.gz NBRVJVRUGNINSJ-LLVKDONJSA-N 2 2 278.356 -0.009 20 0 CBADLP COCC[NH2+]CC(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000361717271 373331381 /nfs/dbraw/zinc/33/13/81/373331381.db2.gz CNLPPXNDTXBEDI-KGLIPLIRSA-N 2 2 299.415 -0.018 20 0 CBADLP O=S(=O)(CCC[NH+]1CCOCC1)NCC[NH+]1CCC1 ZINC000361809706 373336854 /nfs/dbraw/zinc/33/68/54/373336854.db2.gz RXKWLKXBHRXYTC-UHFFFAOYSA-N 2 2 291.417 -0.666 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000362564807 373423740 /nfs/dbraw/zinc/42/37/40/373423740.db2.gz OEFKUDSTDKNCQQ-TZMCWYRMSA-N 2 2 296.415 -0.536 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000362564807 373423745 /nfs/dbraw/zinc/42/37/45/373423745.db2.gz OEFKUDSTDKNCQQ-TZMCWYRMSA-N 2 2 296.415 -0.536 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@H]3CCC(=O)N3)C2)CC1 ZINC000362710079 373439625 /nfs/dbraw/zinc/43/96/25/373439625.db2.gz HLAUNNJZRXIFSR-WCQYABFASA-N 2 2 294.399 -0.450 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@H]3CCC(=O)N3)C2)CC1 ZINC000362710079 373439634 /nfs/dbraw/zinc/43/96/34/373439634.db2.gz HLAUNNJZRXIFSR-WCQYABFASA-N 2 2 294.399 -0.450 20 0 CBADLP Cn1nccc1C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362697889 373439867 /nfs/dbraw/zinc/43/98/67/373439867.db2.gz MCVUPQIRAMBVQF-ZDUSSCGKSA-N 2 2 277.372 -0.184 20 0 CBADLP Cn1nccc1C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362697889 373439870 /nfs/dbraw/zinc/43/98/70/373439870.db2.gz MCVUPQIRAMBVQF-ZDUSSCGKSA-N 2 2 277.372 -0.184 20 0 CBADLP CCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362836621 373451986 /nfs/dbraw/zinc/45/19/86/373451986.db2.gz IBAZZNBPVQBHSZ-CHWSQXEVSA-N 2 2 296.415 -0.203 20 0 CBADLP CCCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362836621 373451993 /nfs/dbraw/zinc/45/19/93/373451993.db2.gz IBAZZNBPVQBHSZ-CHWSQXEVSA-N 2 2 296.415 -0.203 20 0 CBADLP Cn1cncc1C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362836722 373452656 /nfs/dbraw/zinc/45/26/56/373452656.db2.gz JAOMUNUPAMSLPH-LBPRGKRZSA-N 2 2 277.372 -0.184 20 0 CBADLP Cn1cncc1C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362836722 373452666 /nfs/dbraw/zinc/45/26/66/373452666.db2.gz JAOMUNUPAMSLPH-LBPRGKRZSA-N 2 2 277.372 -0.184 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1C[C@H]2OCC[NH+](C)[C@H]2C1 ZINC000362883391 373458915 /nfs/dbraw/zinc/45/89/15/373458915.db2.gz QZLZFOMUPXAISL-MROQNXINSA-N 2 2 267.373 -0.275 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1C[C@H]2OCC[NH+](C)[C@H]2C1 ZINC000362883391 373458917 /nfs/dbraw/zinc/45/89/17/373458917.db2.gz QZLZFOMUPXAISL-MROQNXINSA-N 2 2 267.373 -0.275 20 0 CBADLP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000362883391 373458919 /nfs/dbraw/zinc/45/89/19/373458919.db2.gz QZLZFOMUPXAISL-MROQNXINSA-N 2 2 267.373 -0.275 20 0 CBADLP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000362883391 373458928 /nfs/dbraw/zinc/45/89/28/373458928.db2.gz QZLZFOMUPXAISL-MROQNXINSA-N 2 2 267.373 -0.275 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000362660676 373432788 /nfs/dbraw/zinc/43/27/88/373432788.db2.gz AROJMWDVWSDUEZ-GRYCIOLGSA-N 2 2 255.362 -0.369 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000362660676 373432794 /nfs/dbraw/zinc/43/27/94/373432794.db2.gz AROJMWDVWSDUEZ-GRYCIOLGSA-N 2 2 255.362 -0.369 20 0 CBADLP C[C@@H]1C[NH+](C)C[C@H]1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000362660676 373432799 /nfs/dbraw/zinc/43/27/99/373432799.db2.gz AROJMWDVWSDUEZ-GRYCIOLGSA-N 2 2 255.362 -0.369 20 0 CBADLP C[C@@H]1C[NH+](C)C[C@H]1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000362660676 373432801 /nfs/dbraw/zinc/43/28/01/373432801.db2.gz AROJMWDVWSDUEZ-GRYCIOLGSA-N 2 2 255.362 -0.369 20 0 CBADLP O=C(NCC[NH+]1CCOCC1)[C@H]1C[NH+]2CCC1CC2 ZINC000363542950 373498983 /nfs/dbraw/zinc/49/89/83/373498983.db2.gz BPLSVKDWFZNFHS-ZDUSSCGKSA-N 2 2 267.373 -0.223 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000363568107 373499122 /nfs/dbraw/zinc/49/91/22/373499122.db2.gz OFSCDILMTZCWON-ZDUSSCGKSA-N 2 2 299.415 -0.066 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000363568107 373499126 /nfs/dbraw/zinc/49/91/26/373499126.db2.gz OFSCDILMTZCWON-ZDUSSCGKSA-N 2 2 299.415 -0.066 20 0 CBADLP COC(=O)[C@H]1C[C@H](NC(=O)[C@H]2CCC[C@H]([NH3+])C2)C[NH2+]1 ZINC000365679481 373524826 /nfs/dbraw/zinc/52/48/26/373524826.db2.gz QYTSCZUSYIVAAS-XWLWVQCSSA-N 2 2 269.345 -0.476 20 0 CBADLP CNC(=O)NC(=O)C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363414191 373489060 /nfs/dbraw/zinc/48/90/60/373489060.db2.gz LDCCMFDMHCLSRB-IJLUTSLNSA-N 2 2 280.372 -0.142 20 0 CBADLP CNC(=O)NC(=O)C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363414191 373489065 /nfs/dbraw/zinc/48/90/65/373489065.db2.gz LDCCMFDMHCLSRB-IJLUTSLNSA-N 2 2 280.372 -0.142 20 0 CBADLP CNC(=O)NC(=O)C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363414191 373489068 /nfs/dbraw/zinc/48/90/68/373489068.db2.gz LDCCMFDMHCLSRB-IJLUTSLNSA-N 2 2 280.372 -0.142 20 0 CBADLP CNC(=O)NC(=O)C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363414191 373489074 /nfs/dbraw/zinc/48/90/74/373489074.db2.gz LDCCMFDMHCLSRB-IJLUTSLNSA-N 2 2 280.372 -0.142 20 0 CBADLP C[NH+]1CCN(C(=O)CN2CC[C@@H]3CC[N@H+](C)C[C@H]32)CC1 ZINC000375229765 373566179 /nfs/dbraw/zinc/56/61/79/373566179.db2.gz OYJGECRROZFSEX-UONOGXRCSA-N 2 2 280.416 -0.214 20 0 CBADLP C[NH+]1CCN(C(=O)CN2CC[C@@H]3CC[N@@H+](C)C[C@H]32)CC1 ZINC000375229765 373566187 /nfs/dbraw/zinc/56/61/87/373566187.db2.gz OYJGECRROZFSEX-UONOGXRCSA-N 2 2 280.416 -0.214 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CC[NH2+][C@H](C)C1 ZINC000417021550 373626083 /nfs/dbraw/zinc/62/60/83/373626083.db2.gz IOKTUJJYZUTEKC-NEPJUHHUSA-N 2 2 270.377 -0.290 20 0 CBADLP CC(=O)N1CCN(C(=O)C[NH2+][C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000424336391 373666101 /nfs/dbraw/zinc/66/61/01/373666101.db2.gz QKLIQTNRBCFKGH-CHWSQXEVSA-N 2 2 282.388 -0.463 20 0 CBADLP C[C@@H](O)C[N@H+](C)C1CC[NH+]([C@@H]2COC[C@H]2O)CC1 ZINC000463081284 373695719 /nfs/dbraw/zinc/69/57/19/373695719.db2.gz CWOLGEXWZYTDJU-RAIGVLPGSA-N 2 2 258.362 -0.477 20 0 CBADLP C[C@@H](O)C[N@@H+](C)C1CC[NH+]([C@@H]2COC[C@H]2O)CC1 ZINC000463081284 373695724 /nfs/dbraw/zinc/69/57/24/373695724.db2.gz CWOLGEXWZYTDJU-RAIGVLPGSA-N 2 2 258.362 -0.477 20 0 CBADLP Cc1nc(C)n(C[C@H]2C[N@H+](CCC[NH3+])CCO2)n1 ZINC000514941283 373773106 /nfs/dbraw/zinc/77/31/06/373773106.db2.gz BNWDPUXAVCCPJI-GFCCVEGCSA-N 2 2 253.350 -0.055 20 0 CBADLP Cc1nc(C)n(C[C@H]2C[N@@H+](CCC[NH3+])CCO2)n1 ZINC000514941283 373773110 /nfs/dbraw/zinc/77/31/10/373773110.db2.gz BNWDPUXAVCCPJI-GFCCVEGCSA-N 2 2 253.350 -0.055 20 0 CBADLP C[NH2+]CCC[N@H+](C)CC(=O)N(C)Cc1cnn(C)c1 ZINC000515063359 373775031 /nfs/dbraw/zinc/77/50/31/373775031.db2.gz TVXURKYPNHFPFL-UHFFFAOYSA-N 2 2 267.377 -0.080 20 0 CBADLP C[NH2+]CCC[N@@H+](C)CC(=O)N(C)Cc1cnn(C)c1 ZINC000515063359 373775036 /nfs/dbraw/zinc/77/50/36/373775036.db2.gz TVXURKYPNHFPFL-UHFFFAOYSA-N 2 2 267.377 -0.080 20 0 CBADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217555639 220236207 /nfs/dbraw/zinc/23/62/07/220236207.db2.gz ZYLCOFDJJVXPEG-UWVGGRQHSA-N 2 2 256.350 -0.109 20 0 CBADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217555639 220236209 /nfs/dbraw/zinc/23/62/09/220236209.db2.gz ZYLCOFDJJVXPEG-UWVGGRQHSA-N 2 2 256.350 -0.109 20 0 CBADLP NC(=O)C[C@@H]([NH3+])C(=O)NCCCNc1cccc[nH+]1 ZINC000353664389 220236974 /nfs/dbraw/zinc/23/69/74/220236974.db2.gz OHOCPWITJSFASJ-SECBINFHSA-N 2 2 265.317 -0.798 20 0 CBADLP C[C@H](C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)[NH+]1CCN(C)CC1 ZINC000514864109 373767640 /nfs/dbraw/zinc/76/76/40/373767640.db2.gz QTROHFBGGDLHLM-TZMCWYRMSA-N 2 2 280.416 -0.025 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000516420065 373812167 /nfs/dbraw/zinc/81/21/67/373812167.db2.gz WZSLRJQUKZRIEQ-GFCCVEGCSA-N 2 2 266.345 -0.154 20 0 CBADLP Cn1nccc1COCC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000519771726 373823321 /nfs/dbraw/zinc/82/33/21/373823321.db2.gz NUWMEMXAPHDYHA-GFCCVEGCSA-N 2 2 281.360 -0.962 20 0 CBADLP Cn1nccc1COCC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000519771726 373823330 /nfs/dbraw/zinc/82/33/30/373823330.db2.gz NUWMEMXAPHDYHA-GFCCVEGCSA-N 2 2 281.360 -0.962 20 0 CBADLP COc1c(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c(C)nn1C ZINC000520839489 373834249 /nfs/dbraw/zinc/83/42/49/373834249.db2.gz GUSZHVMCRTUWAS-ZYHUDNBSSA-N 2 2 293.371 -0.519 20 0 CBADLP COc1c(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c(C)nn1C ZINC000520839489 373834261 /nfs/dbraw/zinc/83/42/61/373834261.db2.gz GUSZHVMCRTUWAS-ZYHUDNBSSA-N 2 2 293.371 -0.519 20 0 CBADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCCO[C@@H](C[NH3+])C2)CC1 ZINC000520819470 373835143 /nfs/dbraw/zinc/83/51/43/373835143.db2.gz BGABBVBXGDVPGO-AWEZNQCLSA-N 3 2 298.431 -0.364 20 0 CBADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCCO[C@@H](C[NH3+])C2)CC1 ZINC000520819470 373835149 /nfs/dbraw/zinc/83/51/49/373835149.db2.gz BGABBVBXGDVPGO-AWEZNQCLSA-N 3 2 298.431 -0.364 20 0 CBADLP C[NH+]1CCN(C[C@H](O)C[NH2+]CCC[NH+]2CCCC2)CC1 ZINC000515347204 373784619 /nfs/dbraw/zinc/78/46/19/373784619.db2.gz WSRMKTWLALHSCH-OAHLLOKOSA-N 3 2 284.448 -0.330 20 0 CBADLP C[C@@H](C(=O)NCC[N@@H+]1CCO[C@@H](C)C1)N1CC[NH+](C)CC1 ZINC000524300554 373882973 /nfs/dbraw/zinc/88/29/73/373882973.db2.gz YMIPRPCOCXMKJK-KBPBESRZSA-N 2 2 298.431 -0.541 20 0 CBADLP C[C@@H](C(=O)NCC[N@H+]1CCO[C@@H](C)C1)N1CC[NH+](C)CC1 ZINC000524300554 373882978 /nfs/dbraw/zinc/88/29/78/373882978.db2.gz YMIPRPCOCXMKJK-KBPBESRZSA-N 2 2 298.431 -0.541 20 0 CBADLP Cn1cc[nH+]c1CN1CCN(C(=O)[C@H]2CC[NH2+]2)CC1 ZINC000521869889 373851955 /nfs/dbraw/zinc/85/19/55/373851955.db2.gz VRUZIUVEOZHMHQ-LLVKDONJSA-N 2 2 263.345 -0.574 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CCC(C[NH3+])CC1 ZINC000521998225 373856053 /nfs/dbraw/zinc/85/60/53/373856053.db2.gz IACJHPOWHOELGO-UHFFFAOYSA-N 2 2 284.404 -0.360 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CCC(C[NH3+])CC1 ZINC000521998225 373856064 /nfs/dbraw/zinc/85/60/64/373856064.db2.gz IACJHPOWHOELGO-UHFFFAOYSA-N 2 2 284.404 -0.360 20 0 CBADLP O=C(NCC[NH+]1CCOCC1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000522228312 373864339 /nfs/dbraw/zinc/86/43/39/373864339.db2.gz TXJIHHYVLVQVHZ-LBPRGKRZSA-N 2 2 282.388 -0.146 20 0 CBADLP O=C(NCC[NH+]1CCOCC1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000522228312 373864345 /nfs/dbraw/zinc/86/43/45/373864345.db2.gz TXJIHHYVLVQVHZ-LBPRGKRZSA-N 2 2 282.388 -0.146 20 0 CBADLP O=C(NCC[NH+]1CCOCC1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000522228311 373864874 /nfs/dbraw/zinc/86/48/74/373864874.db2.gz TXJIHHYVLVQVHZ-GFCCVEGCSA-N 2 2 282.388 -0.146 20 0 CBADLP O=C(NCC[NH+]1CCOCC1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000522228311 373864880 /nfs/dbraw/zinc/86/48/80/373864880.db2.gz TXJIHHYVLVQVHZ-GFCCVEGCSA-N 2 2 282.388 -0.146 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)[C@H]2CCC[NH+]2C)CCO1 ZINC000522248454 373865137 /nfs/dbraw/zinc/86/51/37/373865137.db2.gz SDSXAUPSFXZAIT-NWDGAFQWSA-N 2 2 255.362 -0.083 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)[C@H]2CCC[NH+]2C)CCO1 ZINC000522248454 373865141 /nfs/dbraw/zinc/86/51/41/373865141.db2.gz SDSXAUPSFXZAIT-NWDGAFQWSA-N 2 2 255.362 -0.083 20 0 CBADLP C[C@H]1C[NH+](CCNC(=O)[C@H]2CCC[N@@H+]2C)CCO1 ZINC000522248454 373865151 /nfs/dbraw/zinc/86/51/51/373865151.db2.gz SDSXAUPSFXZAIT-NWDGAFQWSA-N 2 2 255.362 -0.083 20 0 CBADLP C[C@H]1C[NH+](CCNC(=O)[C@H]2CCC[N@H+]2C)CCO1 ZINC000522248454 373865153 /nfs/dbraw/zinc/86/51/53/373865153.db2.gz SDSXAUPSFXZAIT-NWDGAFQWSA-N 2 2 255.362 -0.083 20 0 CBADLP CNC(=O)NC[C@@H]1C[N@H+](CCn2cc[nH+]c2C)CCO1 ZINC000528618960 373965084 /nfs/dbraw/zinc/96/50/84/373965084.db2.gz HPSQRAXPTCKYDQ-GFCCVEGCSA-N 2 2 281.360 -0.179 20 0 CBADLP CNC(=O)NC[C@@H]1C[N@@H+](CCn2cc[nH+]c2C)CCO1 ZINC000528618960 373965090 /nfs/dbraw/zinc/96/50/90/373965090.db2.gz HPSQRAXPTCKYDQ-GFCCVEGCSA-N 2 2 281.360 -0.179 20 0 CBADLP COCC[NH+]1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC000528555155 373960187 /nfs/dbraw/zinc/96/01/87/373960187.db2.gz ZSCNDINCKAHSHK-UHFFFAOYSA-N 2 2 266.345 -0.018 20 0 CBADLP CC1([NH+]2CCOCC2)CC[NH+](CCC(=O)NC(N)=O)CC1 ZINC000528728452 373976531 /nfs/dbraw/zinc/97/65/31/373976531.db2.gz BILAJTIHRPCTIM-UHFFFAOYSA-N 2 2 298.387 -0.242 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000529080774 373992471 /nfs/dbraw/zinc/99/24/71/373992471.db2.gz UZXJYEGNAHGPEV-GFCCVEGCSA-N 2 2 266.345 -0.283 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000529080774 373992477 /nfs/dbraw/zinc/99/24/77/373992477.db2.gz UZXJYEGNAHGPEV-GFCCVEGCSA-N 2 2 266.345 -0.283 20 0 CBADLP COCC[NH+]1CCC([NH2+]C[C@@H]2COCCN2)CC1 ZINC000530181345 374064962 /nfs/dbraw/zinc/06/49/62/374064962.db2.gz MLGHGFSHCHRQIW-CYBMUJFWSA-N 2 2 257.378 -0.325 20 0 CBADLP COCC[NH+]1CCC(NC[C@@H]2COCC[NH2+]2)CC1 ZINC000530181345 374064968 /nfs/dbraw/zinc/06/49/68/374064968.db2.gz MLGHGFSHCHRQIW-CYBMUJFWSA-N 2 2 257.378 -0.325 20 0 CBADLP [NH3+]CC1(C[NH+]2CCN(C(=O)N3CC[NH2+]CC3)CC2)CC1 ZINC000530242662 374068648 /nfs/dbraw/zinc/06/86/48/374068648.db2.gz ODMIYVTWCFKWAH-UHFFFAOYSA-N 3 2 281.404 -0.632 20 0 CBADLP C[C@@]1(C[NH+]2CCN(C(=O)N3CC[NH2+]CC3)CC2)CC[NH2+]C1 ZINC000530243468 374068794 /nfs/dbraw/zinc/06/87/94/374068794.db2.gz RCLQLXXAOILNKL-OAHLLOKOSA-N 3 2 295.431 -0.371 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH+]2CCO[C@@H](C)C2)C1 ZINC000531295611 374126969 /nfs/dbraw/zinc/12/69/69/374126969.db2.gz UGIFWBSAUASQMM-STQMWFEESA-N 2 2 285.388 -0.456 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)NCC[NH+]2CCO[C@@H](C)C2)C1 ZINC000531295611 374126973 /nfs/dbraw/zinc/12/69/73/374126973.db2.gz UGIFWBSAUASQMM-STQMWFEESA-N 2 2 285.388 -0.456 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)C1 ZINC000531295611 374126975 /nfs/dbraw/zinc/12/69/75/374126975.db2.gz UGIFWBSAUASQMM-STQMWFEESA-N 2 2 285.388 -0.456 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)NCC[N@H+]2CCO[C@@H](C)C2)C1 ZINC000531295611 374126980 /nfs/dbraw/zinc/12/69/80/374126980.db2.gz UGIFWBSAUASQMM-STQMWFEESA-N 2 2 285.388 -0.456 20 0 CBADLP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CCS(C)(=O)=O ZINC000531357661 374130826 /nfs/dbraw/zinc/13/08/26/374130826.db2.gz RPZUWKNKKWSTOT-UHFFFAOYSA-N 2 2 293.433 -0.627 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC(n3cc[nH+]c3)C2)C1 ZINC000530824141 374101333 /nfs/dbraw/zinc/10/13/33/374101333.db2.gz ACCTYBVEGIGVKQ-GFCCVEGCSA-N 2 2 264.329 -0.013 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC(n3cc[nH+]c3)C2)C1 ZINC000530824141 374101341 /nfs/dbraw/zinc/10/13/41/374101341.db2.gz ACCTYBVEGIGVKQ-GFCCVEGCSA-N 2 2 264.329 -0.013 20 0 CBADLP O=C(NCC[NH+]1CCC1)NCC[NH+]1CCOCC1 ZINC000532764517 374175707 /nfs/dbraw/zinc/17/57/07/374175707.db2.gz LSMZWMFQCDZRSP-UHFFFAOYSA-N 2 2 256.350 -0.677 20 0 CBADLP C[C@H]1C[NH+](CCC[NH2+]CCC(=O)NC(N)=O)C[C@H](C)O1 ZINC000548832262 374217549 /nfs/dbraw/zinc/21/75/49/374217549.db2.gz UVQLVGGUVNECKF-QWRGUYRKSA-N 2 2 286.376 -0.340 20 0 CBADLP CC(C[NH+](C)[C@@H]1COC[C@H]1O)C[N@H+](C)[C@@H]1COC[C@H]1O ZINC000552154860 374261444 /nfs/dbraw/zinc/26/14/44/374261444.db2.gz DXUORMDEXKQBQC-AAVRWANBSA-N 2 2 288.388 -0.995 20 0 CBADLP CC(C[NH+](C)[C@@H]1COC[C@H]1O)C[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000552154860 374261453 /nfs/dbraw/zinc/26/14/53/374261453.db2.gz DXUORMDEXKQBQC-AAVRWANBSA-N 2 2 288.388 -0.995 20 0 CBADLP CC(=O)NCC[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000552214735 374263336 /nfs/dbraw/zinc/26/33/36/374263336.db2.gz GFEHCBJTNWLGJM-WZRBSPASSA-N 2 2 273.377 -0.818 20 0 CBADLP CC(=O)NCC[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000552214734 374264790 /nfs/dbraw/zinc/26/47/90/374264790.db2.gz GFEHCBJTNWLGJM-NTZNESFSSA-N 2 2 273.377 -0.818 20 0 CBADLP CC(=O)NCC[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000552214734 374264797 /nfs/dbraw/zinc/26/47/97/374264797.db2.gz GFEHCBJTNWLGJM-NTZNESFSSA-N 2 2 273.377 -0.818 20 0 CBADLP C[N@@H+]1CC[C@H](C(=O)NCC2([NH+]3CCOCC3)CC2)C1 ZINC000551867782 374246393 /nfs/dbraw/zinc/24/63/93/374246393.db2.gz XMAJFUFXQZITSD-LBPRGKRZSA-N 2 2 267.373 -0.081 20 0 CBADLP C[N@H+]1CC[C@H](C(=O)NCC2([NH+]3CCOCC3)CC2)C1 ZINC000551867782 374246397 /nfs/dbraw/zinc/24/63/97/374246397.db2.gz XMAJFUFXQZITSD-LBPRGKRZSA-N 2 2 267.373 -0.081 20 0 CBADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000551842993 374246735 /nfs/dbraw/zinc/24/67/35/374246735.db2.gz RWJFNVNENFTGJW-STQMWFEESA-N 2 2 268.405 -0.310 20 0 CBADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000551842993 374246743 /nfs/dbraw/zinc/24/67/43/374246743.db2.gz RWJFNVNENFTGJW-STQMWFEESA-N 2 2 268.405 -0.310 20 0 CBADLP O=C1CNC(=O)N1CC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000555669924 374294387 /nfs/dbraw/zinc/29/43/87/374294387.db2.gz QFEGAWXTVUNOAJ-UHFFFAOYSA-N 2 2 278.316 -0.917 20 0 CBADLP C[C@@H]1CCNC(=O)[C@H]1[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000554946415 374285660 /nfs/dbraw/zinc/28/56/60/374285660.db2.gz JDWJDBGZQYKUKM-JLLWLGSASA-N 2 2 255.362 -0.444 20 0 CBADLP C[C@@H]1CCNC(=O)[C@H]1[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000554946415 374285663 /nfs/dbraw/zinc/28/56/63/374285663.db2.gz JDWJDBGZQYKUKM-JLLWLGSASA-N 2 2 255.362 -0.444 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000562477298 374319795 /nfs/dbraw/zinc/31/97/95/374319795.db2.gz GPGXITKSZUORNM-UONOGXRCSA-N 2 2 299.415 -0.332 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000562477298 374319801 /nfs/dbraw/zinc/31/98/01/374319801.db2.gz GPGXITKSZUORNM-UONOGXRCSA-N 2 2 299.415 -0.332 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000562477298 374319803 /nfs/dbraw/zinc/31/98/03/374319803.db2.gz GPGXITKSZUORNM-UONOGXRCSA-N 2 2 299.415 -0.332 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000562477298 374319809 /nfs/dbraw/zinc/31/98/09/374319809.db2.gz GPGXITKSZUORNM-UONOGXRCSA-N 2 2 299.415 -0.332 20 0 CBADLP C[C@H]1C[NH+](CCCC[N@@H+]2CC(=O)N[C@@H](C)C2)CC(=O)N1 ZINC000562553773 374322005 /nfs/dbraw/zinc/32/20/05/374322005.db2.gz LQYNADGPKPDEQT-RYUDHWBXSA-N 2 2 282.388 -0.593 20 0 CBADLP C[C@H]1C[NH+](CCCC[N@H+]2CC(=O)N[C@@H](C)C2)CC(=O)N1 ZINC000562553773 374322009 /nfs/dbraw/zinc/32/20/09/374322009.db2.gz LQYNADGPKPDEQT-RYUDHWBXSA-N 2 2 282.388 -0.593 20 0 CBADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CCCCO)C[C@H](C)O1 ZINC000563713232 374325219 /nfs/dbraw/zinc/32/52/19/374325219.db2.gz HDRLDWHYOKENSW-XQQFMLRXSA-N 2 2 260.378 -0.181 20 0 CBADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CCCCO)C[C@H](C)O1 ZINC000563713232 374325224 /nfs/dbraw/zinc/32/52/24/374325224.db2.gz HDRLDWHYOKENSW-XQQFMLRXSA-N 2 2 260.378 -0.181 20 0 CBADLP COC(=O)CC1(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC1 ZINC000577887105 374345120 /nfs/dbraw/zinc/34/51/20/374345120.db2.gz DYWBKUZYNLICAH-MNOVXSKESA-N 2 2 281.356 -0.427 20 0 CBADLP COC(=O)CC1(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC1 ZINC000577887105 374345129 /nfs/dbraw/zinc/34/51/29/374345129.db2.gz DYWBKUZYNLICAH-MNOVXSKESA-N 2 2 281.356 -0.427 20 0 CBADLP OCCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)Cn1cccn1 ZINC000566620288 374331327 /nfs/dbraw/zinc/33/13/27/374331327.db2.gz WHVNDFZUVFJKRJ-UONOGXRCSA-N 2 2 282.388 -0.320 20 0 CBADLP OCCC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)Cn1cccn1 ZINC000566620288 374331330 /nfs/dbraw/zinc/33/13/30/374331330.db2.gz WHVNDFZUVFJKRJ-UONOGXRCSA-N 2 2 282.388 -0.320 20 0 CBADLP CC[N@H+](C)C[C@@H](O)CN1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000566686199 374332915 /nfs/dbraw/zinc/33/29/15/374332915.db2.gz DABPNORFXWFPBL-OAHLLOKOSA-N 2 2 295.431 -0.150 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)CN1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000566686199 374332922 /nfs/dbraw/zinc/33/29/22/374332922.db2.gz DABPNORFXWFPBL-OAHLLOKOSA-N 2 2 295.431 -0.150 20 0 CBADLP C[N@@H+]1CC[C@H](NS(=O)(=O)CCC[NH+]2CCOCC2)C1 ZINC000572541521 374336039 /nfs/dbraw/zinc/33/60/39/374336039.db2.gz OKQRICZMUJHLNV-LBPRGKRZSA-N 2 2 291.417 -0.668 20 0 CBADLP C[N@H+]1CC[C@H](NS(=O)(=O)CCC[NH+]2CCOCC2)C1 ZINC000572541521 374336049 /nfs/dbraw/zinc/33/60/49/374336049.db2.gz OKQRICZMUJHLNV-LBPRGKRZSA-N 2 2 291.417 -0.668 20 0 CBADLP [NH3+]Cc1nc(C(=O)NCC(F)(F)C[NH3+])cs1 ZINC000577868855 374342243 /nfs/dbraw/zinc/34/22/43/374342243.db2.gz NWOUODLCRIKCAW-UHFFFAOYSA-N 2 2 250.274 -0.074 20 0 CBADLP C[C@@H](C(=O)N1CC[NH2+]C[C@](C)(F)C1)N1CC[NH+](C)CC1 ZINC000577872659 374342281 /nfs/dbraw/zinc/34/22/81/374342281.db2.gz VZFIRFQWYYSFAP-JSGCOSHPSA-N 2 2 286.395 -0.218 20 0 CBADLP C[C@@H]1COCCN1CC[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000583495026 374363793 /nfs/dbraw/zinc/36/37/93/374363793.db2.gz NVANSKCSRGYGMJ-TZMCWYRMSA-N 2 2 271.405 -0.248 20 0 CBADLP C[C@@H]1COCCN1CC[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000583495026 374363797 /nfs/dbraw/zinc/36/37/97/374363797.db2.gz NVANSKCSRGYGMJ-TZMCWYRMSA-N 2 2 271.405 -0.248 20 0 CBADLP C[C@H](Cn1cncn1)[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000583494797 374363931 /nfs/dbraw/zinc/36/39/31/374363931.db2.gz GIZKZIWVMBGPJR-YIYPIFLZSA-N 2 2 297.403 -0.274 20 0 CBADLP C[C@H](Cn1cncn1)[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000583494797 374363937 /nfs/dbraw/zinc/36/39/37/374363937.db2.gz GIZKZIWVMBGPJR-YIYPIFLZSA-N 2 2 297.403 -0.274 20 0 CBADLP NC(=O)NC(=O)CC[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000583752831 374365861 /nfs/dbraw/zinc/36/58/61/374365861.db2.gz DLAOIQJHQQYOLY-JTQLQIEISA-N 2 2 272.349 -0.992 20 0 CBADLP NC(=O)NC(=O)CC[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000583752831 374365868 /nfs/dbraw/zinc/36/58/68/374365868.db2.gz DLAOIQJHQQYOLY-JTQLQIEISA-N 2 2 272.349 -0.992 20 0 CBADLP CC[C@H](O)C[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000583812404 374369487 /nfs/dbraw/zinc/36/94/87/374369487.db2.gz GAAODOTYAHIPPL-RNJOBUHISA-N 2 2 260.378 -0.183 20 0 CBADLP CC[C@H](O)C[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000583812404 374369491 /nfs/dbraw/zinc/36/94/91/374369491.db2.gz GAAODOTYAHIPPL-RNJOBUHISA-N 2 2 260.378 -0.183 20 0 CBADLP Cn1c[nH+]cc1CCC[NH+]1CCN(S(N)(=O)=O)CC1 ZINC000584419056 374373216 /nfs/dbraw/zinc/37/32/16/374373216.db2.gz TWYRHPBPEKULHB-UHFFFAOYSA-N 2 2 287.389 -0.826 20 0 CBADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@](O)(CC(N)=O)C1 ZINC000643807693 374434538 /nfs/dbraw/zinc/43/45/38/374434538.db2.gz ZETQRQLFEJYGDS-CYBMUJFWSA-N 2 2 266.345 -0.106 20 0 CBADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@](O)(CC(N)=O)C1 ZINC000643807693 374434547 /nfs/dbraw/zinc/43/45/47/374434547.db2.gz ZETQRQLFEJYGDS-CYBMUJFWSA-N 2 2 266.345 -0.106 20 0 CBADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@](O)(CC(N)=O)C1 ZINC000643807808 374434898 /nfs/dbraw/zinc/43/48/98/374434898.db2.gz BFBAJKQVYIEANW-CYBMUJFWSA-N 2 2 266.345 -0.335 20 0 CBADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@](O)(CC(N)=O)C1 ZINC000643807808 374434906 /nfs/dbraw/zinc/43/49/06/374434906.db2.gz BFBAJKQVYIEANW-CYBMUJFWSA-N 2 2 266.345 -0.335 20 0 CBADLP O[C@H]1CC[N@@H+]([C@H]2CCC[C@H]2[NH2+]CCn2cncn2)C1 ZINC000643960225 374462025 /nfs/dbraw/zinc/46/20/25/374462025.db2.gz PLJNZRNJGVFKFE-XQQFMLRXSA-N 2 2 265.361 -0.145 20 0 CBADLP O[C@H]1CC[N@H+]([C@H]2CCC[C@H]2[NH2+]CCn2cncn2)C1 ZINC000643960225 374462034 /nfs/dbraw/zinc/46/20/34/374462034.db2.gz PLJNZRNJGVFKFE-XQQFMLRXSA-N 2 2 265.361 -0.145 20 0 CBADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]Cc2ccnn2C)C[C@H](C)O1 ZINC000644519076 374588636 /nfs/dbraw/zinc/58/86/36/374588636.db2.gz OVTYUYKRQVTLOK-MBNYWOFBSA-N 2 2 282.388 -0.020 20 0 CBADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]Cc2ccnn2C)C[C@H](C)O1 ZINC000644519076 374588642 /nfs/dbraw/zinc/58/86/42/374588642.db2.gz OVTYUYKRQVTLOK-MBNYWOFBSA-N 2 2 282.388 -0.020 20 0 CBADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000644548885 374592492 /nfs/dbraw/zinc/59/24/92/374592492.db2.gz UHKGZQNYNMNYBY-UKRRQHHQSA-N 3 2 284.448 -0.333 20 0 CBADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000644548885 374592499 /nfs/dbraw/zinc/59/24/99/374592499.db2.gz UHKGZQNYNMNYBY-UKRRQHHQSA-N 3 2 284.448 -0.333 20 0 CBADLP COCCOC[C@H](O)C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000644562469 374594687 /nfs/dbraw/zinc/59/46/87/374594687.db2.gz TWBNMULIIFNXJF-GFCCVEGCSA-N 2 2 286.376 -0.400 20 0 CBADLP CCOCC[C@@H](O)C[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000644559316 374595155 /nfs/dbraw/zinc/59/51/55/374595155.db2.gz GLVILDOIZABCTB-CHWSQXEVSA-N 2 2 259.394 -0.391 20 0 CBADLP CCOCC[C@@H](O)C[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000644559316 374595159 /nfs/dbraw/zinc/59/51/59/374595159.db2.gz GLVILDOIZABCTB-CHWSQXEVSA-N 2 2 259.394 -0.391 20 0 CBADLP CN1C[C@H]2CC[N@H+](CCC(=O)N3CC[NH+](C)CC3)[C@@H]2C1 ZINC000644728643 374615394 /nfs/dbraw/zinc/61/53/94/374615394.db2.gz IVAGRZXTJRKHEI-ZIAGYGMSSA-N 2 2 280.416 -0.214 20 0 CBADLP CN1C[C@H]2CC[N@@H+](CCC(=O)N3CC[NH+](C)CC3)[C@@H]2C1 ZINC000644728643 374615398 /nfs/dbraw/zinc/61/53/98/374615398.db2.gz IVAGRZXTJRKHEI-ZIAGYGMSSA-N 2 2 280.416 -0.214 20 0 CBADLP C[N@@H+]1C[C@H]2CCN(CCC(=O)N3CC[NH+](C)CC3)[C@@H]2C1 ZINC000644728643 374615404 /nfs/dbraw/zinc/61/54/04/374615404.db2.gz IVAGRZXTJRKHEI-ZIAGYGMSSA-N 2 2 280.416 -0.214 20 0 CBADLP C[N@H+]1C[C@H]2CCN(CCC(=O)N3CC[NH+](C)CC3)[C@@H]2C1 ZINC000644728643 374615407 /nfs/dbraw/zinc/61/54/07/374615407.db2.gz IVAGRZXTJRKHEI-ZIAGYGMSSA-N 2 2 280.416 -0.214 20 0 CBADLP COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](C)[NH+]1CC(C)C1 ZINC000574528178 335027217 /nfs/dbraw/zinc/02/72/17/335027217.db2.gz DJRPIBVLZNPYOY-JQWIXIFHSA-N 2 2 294.355 -0.050 20 0 CBADLP COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](C)[NH+]1CC(C)C1 ZINC000574528178 335027216 /nfs/dbraw/zinc/02/72/16/335027216.db2.gz DJRPIBVLZNPYOY-JQWIXIFHSA-N 2 2 294.355 -0.050 20 0 CBADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@H]2[NH2+]CC2(C)C)CC1 ZINC000646125161 374744681 /nfs/dbraw/zinc/74/46/81/374744681.db2.gz GCZIDHYAYJTJPV-SNVBAGLBSA-N 2 2 282.388 -0.608 20 0 CBADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)CC2([NH3+])CCC2)CC1 ZINC000646125603 374744834 /nfs/dbraw/zinc/74/48/34/374744834.db2.gz QBRJDOGYYKGBPK-UHFFFAOYSA-N 2 2 282.388 -0.334 20 0 CBADLP Cc1cccn2cc(CCNC(=O)CNC(=O)C[NH3+])[nH+]c12 ZINC000646138128 374747254 /nfs/dbraw/zinc/74/72/54/374747254.db2.gz CMBIHLDNXXFZDO-UHFFFAOYSA-N 2 2 289.339 -0.624 20 0 CBADLP C[NH+](C)C[C@@H](CO)NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000646208765 374755887 /nfs/dbraw/zinc/75/58/87/374755887.db2.gz IGRVVEJNFMZUJS-NSHDSACASA-N 2 2 289.339 -0.080 20 0 CBADLP C[NH+](C)C[C@H](CO)NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000646212094 374757869 /nfs/dbraw/zinc/75/78/69/374757869.db2.gz OPPNUSGVSVWXEW-TZMCWYRMSA-N 2 2 299.415 -0.332 20 0 CBADLP C[NH+](C)C[C@H](CO)NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000646212094 374757874 /nfs/dbraw/zinc/75/78/74/374757874.db2.gz OPPNUSGVSVWXEW-TZMCWYRMSA-N 2 2 299.415 -0.332 20 0 CBADLP Cn1cnc(CCCNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])n1 ZINC000646217715 374758900 /nfs/dbraw/zinc/75/89/00/374758900.db2.gz NATJFTXOJKYJCI-NSHDSACASA-N 2 2 295.391 -0.968 20 0 CBADLP Cn1cnc(CCCNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])n1 ZINC000646217715 374758907 /nfs/dbraw/zinc/75/89/07/374758907.db2.gz NATJFTXOJKYJCI-NSHDSACASA-N 2 2 295.391 -0.968 20 0 CBADLP C[C@H](NC(=O)COCC[NH3+])[C@H](C)[NH+]1CCOCC1 ZINC000645937261 374715202 /nfs/dbraw/zinc/71/52/02/374715202.db2.gz CMBUCRGNEXEPKD-QWRGUYRKSA-N 2 2 259.350 -0.813 20 0 CBADLP CO[C@@H](C[NH3+])C(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000645944072 374717431 /nfs/dbraw/zinc/71/74/31/374717431.db2.gz JVJNWWAQOICWSV-NSHDSACASA-N 2 2 281.360 -0.962 20 0 CBADLP COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]([NH3+])c2cscn2)C1 ZINC000645951629 374717801 /nfs/dbraw/zinc/71/78/01/374717801.db2.gz MGFWORVZOSBGPQ-KOLCDFICSA-N 2 2 284.385 -0.020 20 0 CBADLP COCC[N@H+]1CC[C@@H](NC(=O)[C@@H]([NH3+])c2cscn2)C1 ZINC000645951629 374717806 /nfs/dbraw/zinc/71/78/06/374717806.db2.gz MGFWORVZOSBGPQ-KOLCDFICSA-N 2 2 284.385 -0.020 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCO[C@@]3(CCSC3)C2)CC1 ZINC000645966536 374720311 /nfs/dbraw/zinc/72/03/11/374720311.db2.gz QZJGYXULVQFMHZ-AWEZNQCLSA-N 2 2 299.440 -0.032 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CCO[C@@]3(CCSC3)C2)CC1 ZINC000645966536 374720314 /nfs/dbraw/zinc/72/03/14/374720314.db2.gz QZJGYXULVQFMHZ-AWEZNQCLSA-N 2 2 299.440 -0.032 20 0 CBADLP C[C@@H](C[NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000645978122 374720852 /nfs/dbraw/zinc/72/08/52/374720852.db2.gz SNOMYCKMLFPCEN-NWDGAFQWSA-N 3 2 268.405 -0.134 20 0 CBADLP C[C@@H](C[NH3+])C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000645978122 374720855 /nfs/dbraw/zinc/72/08/55/374720855.db2.gz SNOMYCKMLFPCEN-NWDGAFQWSA-N 3 2 268.405 -0.134 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)COCC[NH3+])C2)CC1 ZINC000645977901 374720874 /nfs/dbraw/zinc/72/08/74/374720874.db2.gz NBDWSIWJWUMCMC-GFCCVEGCSA-N 3 2 284.404 -0.754 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)COCC[NH3+])C2)CC1 ZINC000645977901 374720878 /nfs/dbraw/zinc/72/08/78/374720878.db2.gz NBDWSIWJWUMCMC-GFCCVEGCSA-N 3 2 284.404 -0.754 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H]3C[C@H](F)C[NH2+]3)C2)CC1 ZINC000645977464 374720954 /nfs/dbraw/zinc/72/09/54/374720954.db2.gz AFBSYOGEJCXHPT-OUCADQQQSA-N 3 2 298.406 -0.029 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@H]3C[C@H](F)C[NH2+]3)C2)CC1 ZINC000645977464 374720957 /nfs/dbraw/zinc/72/09/57/374720957.db2.gz AFBSYOGEJCXHPT-OUCADQQQSA-N 3 2 298.406 -0.029 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H]3C[NH2+]CCO3)C2)CC1 ZINC000645978192 374722832 /nfs/dbraw/zinc/72/28/32/374722832.db2.gz WPNSKPBMYLMKKS-OCCSQVGLSA-N 3 2 296.415 -0.741 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H]3C[NH2+]CCO3)C2)CC1 ZINC000645978192 374722838 /nfs/dbraw/zinc/72/28/38/374722838.db2.gz WPNSKPBMYLMKKS-OCCSQVGLSA-N 3 2 296.415 -0.741 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@H]3C[NH2+]CCO3)C2)CC1 ZINC000645978190 374723091 /nfs/dbraw/zinc/72/30/91/374723091.db2.gz WPNSKPBMYLMKKS-GXTWGEPZSA-N 3 2 296.415 -0.741 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@H]3C[NH2+]CCO3)C2)CC1 ZINC000645978190 374723097 /nfs/dbraw/zinc/72/30/97/374723097.db2.gz WPNSKPBMYLMKKS-GXTWGEPZSA-N 3 2 296.415 -0.741 20 0 CBADLP [NH3+]CCOCC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000646116434 374742159 /nfs/dbraw/zinc/74/21/59/374742159.db2.gz SHXJQYSXISPETF-ZDUSSCGKSA-N 2 2 285.388 -0.325 20 0 CBADLP Cn1nccc1CC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000646835397 374821770 /nfs/dbraw/zinc/82/17/70/374821770.db2.gz WRUSZBKVLZLPSP-NSHDSACASA-N 2 2 251.334 -0.936 20 0 CBADLP Cn1nccc1CC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000646835397 374821773 /nfs/dbraw/zinc/82/17/73/374821773.db2.gz WRUSZBKVLZLPSP-NSHDSACASA-N 2 2 251.334 -0.936 20 0 CBADLP C[N@@H+]1CCN(C(=O)[C@@H]2CCc3c[nH]nc3C2)[C@H](C[NH3+])C1 ZINC000646832026 374822054 /nfs/dbraw/zinc/82/20/54/374822054.db2.gz ZDWDJWWGUCROPV-ZYHUDNBSSA-N 2 2 277.372 -0.384 20 0 CBADLP C[N@H+]1CCN(C(=O)[C@@H]2CCc3c[nH]nc3C2)[C@H](C[NH3+])C1 ZINC000646832026 374822060 /nfs/dbraw/zinc/82/20/60/374822060.db2.gz ZDWDJWWGUCROPV-ZYHUDNBSSA-N 2 2 277.372 -0.384 20 0 CBADLP CCC(=O)N[C@H](C)C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000646836303 374823535 /nfs/dbraw/zinc/82/35/35/374823535.db2.gz LUZOHHGRFMTUOX-ZJUUUORDSA-N 2 2 256.350 -0.998 20 0 CBADLP CCC(=O)N[C@H](C)C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000646836303 374823543 /nfs/dbraw/zinc/82/35/43/374823543.db2.gz LUZOHHGRFMTUOX-ZJUUUORDSA-N 2 2 256.350 -0.998 20 0 CBADLP CCC(=O)N[C@@H](C)C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000646836301 374824099 /nfs/dbraw/zinc/82/40/99/374824099.db2.gz LUZOHHGRFMTUOX-UWVGGRQHSA-N 2 2 256.350 -0.998 20 0 CBADLP CCC(=O)N[C@@H](C)C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000646836301 374824104 /nfs/dbraw/zinc/82/41/04/374824104.db2.gz LUZOHHGRFMTUOX-UWVGGRQHSA-N 2 2 256.350 -0.998 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000646314422 374769500 /nfs/dbraw/zinc/76/95/00/374769500.db2.gz FQHWTKBQOBTMCM-HNNXBMFYSA-N 2 2 296.415 -0.345 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000646314422 374769501 /nfs/dbraw/zinc/76/95/01/374769501.db2.gz FQHWTKBQOBTMCM-HNNXBMFYSA-N 2 2 296.415 -0.345 20 0 CBADLP CCC[NH2+][C@H](C)C(=O)NCC[NH+]1CCN(C(C)=O)CC1 ZINC000646411619 374777329 /nfs/dbraw/zinc/77/73/29/374777329.db2.gz MCBYLNKCTOGDOY-GFCCVEGCSA-N 2 2 284.404 -0.345 20 0 CBADLP C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000646443095 374779260 /nfs/dbraw/zinc/77/92/60/374779260.db2.gz BZLVYBNPHSAGBZ-RDBSUJKOSA-N 2 2 297.399 -0.361 20 0 CBADLP C[N@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000646443095 374779264 /nfs/dbraw/zinc/77/92/64/374779264.db2.gz BZLVYBNPHSAGBZ-RDBSUJKOSA-N 2 2 297.399 -0.361 20 0 CBADLP C[NH+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000646443095 374779268 /nfs/dbraw/zinc/77/92/68/374779268.db2.gz BZLVYBNPHSAGBZ-RDBSUJKOSA-N 2 2 297.399 -0.361 20 0 CBADLP C[NH+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000646443095 374779270 /nfs/dbraw/zinc/77/92/70/374779270.db2.gz BZLVYBNPHSAGBZ-RDBSUJKOSA-N 2 2 297.399 -0.361 20 0 CBADLP CCN(CCC[NH+](C)C)C(=O)CN1CC[NH2+]CC1=O ZINC000646494324 374782374 /nfs/dbraw/zinc/78/23/74/374782374.db2.gz FINANPIRXCCDDQ-UHFFFAOYSA-N 2 2 270.377 -0.782 20 0 CBADLP C[C@H]1CC2(CN1C(=O)CN1CC[NH2+]CC1=O)CC[NH2+]CC2 ZINC000647096362 374886131 /nfs/dbraw/zinc/88/61/31/374886131.db2.gz GTXVGIGRQUSBHM-LBPRGKRZSA-N 2 2 294.399 -0.591 20 0 CBADLP C[NH2+]CCC1CCN(C(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000646915445 374840172 /nfs/dbraw/zinc/84/01/72/374840172.db2.gz SWRAGAJSGMMMFT-UHFFFAOYSA-N 2 2 282.388 -0.734 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000646996748 374857553 /nfs/dbraw/zinc/85/75/53/374857553.db2.gz WJRKPKGSOKCUFA-RYUDHWBXSA-N 2 2 284.404 -0.171 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000646996748 374857556 /nfs/dbraw/zinc/85/75/56/374857556.db2.gz WJRKPKGSOKCUFA-RYUDHWBXSA-N 2 2 284.404 -0.171 20 0 CBADLP CC[NH2+][C@H](C)CNC(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000647024099 374862784 /nfs/dbraw/zinc/86/27/84/374862784.db2.gz UAFBTQCDLKYJRD-LLVKDONJSA-N 2 2 272.393 -0.443 20 0 CBADLP CC[NH2+][C@H](C)CNC(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000647024099 374862790 /nfs/dbraw/zinc/86/27/90/374862790.db2.gz UAFBTQCDLKYJRD-LLVKDONJSA-N 2 2 272.393 -0.443 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000262105342 190048539 /nfs/dbraw/zinc/04/85/39/190048539.db2.gz FAMTUUIHJDQLGR-MXWKQRLJSA-N 2 2 252.318 -0.235 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N(C)CC[NH+](C)C1CC1 ZINC000356287256 248228747 /nfs/dbraw/zinc/22/87/47/248228747.db2.gz SUANUSHMVAMAKU-UHFFFAOYSA-N 2 2 298.431 -0.005 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N(C)CC[NH+](C)C1CC1 ZINC000356287256 248228753 /nfs/dbraw/zinc/22/87/53/248228753.db2.gz SUANUSHMVAMAKU-UHFFFAOYSA-N 2 2 298.431 -0.005 20 0 CBADLP CC(C)NC(=O)C[NH+](C)CC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000356287256 248228756 /nfs/dbraw/zinc/22/87/56/248228756.db2.gz SUANUSHMVAMAKU-UHFFFAOYSA-N 2 2 298.431 -0.005 20 0 CBADLP CC(C)NC(=O)C[NH+](C)CC(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000356287256 248228759 /nfs/dbraw/zinc/22/87/59/248228759.db2.gz SUANUSHMVAMAKU-UHFFFAOYSA-N 2 2 298.431 -0.005 20 0 CBADLP C[C@H](C[NH3+])C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000357237800 248338649 /nfs/dbraw/zinc/33/86/49/248338649.db2.gz HJAQMVKTRWLZLI-LLVKDONJSA-N 2 2 281.360 -0.251 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH+]2CCC(CCC(N)=O)CC2)CC1 ZINC000357612268 248382029 /nfs/dbraw/zinc/38/20/29/248382029.db2.gz JMOPUSPZZDSRMK-UHFFFAOYSA-N 2 2 296.415 -0.262 20 0 CBADLP CCNC(=O)NC(=O)C[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357653400 248387760 /nfs/dbraw/zinc/38/77/60/248387760.db2.gz WOSSULSCRUTLSZ-UHFFFAOYSA-N 2 2 286.376 -0.779 20 0 CBADLP C[N@H+](CCN1CCCC1=O)C1CC[NH+](CCO)CC1 ZINC000357644120 248387902 /nfs/dbraw/zinc/38/79/02/248387902.db2.gz BTLFOFIIPNSNME-UHFFFAOYSA-N 2 2 269.389 -0.003 20 0 CBADLP C[N@@H+](CCN1CCCC1=O)C1CC[NH+](CCO)CC1 ZINC000357644120 248387909 /nfs/dbraw/zinc/38/79/09/248387909.db2.gz BTLFOFIIPNSNME-UHFFFAOYSA-N 2 2 269.389 -0.003 20 0 CBADLP CNC(=O)NC(=O)[C@H](C)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357646929 248387985 /nfs/dbraw/zinc/38/79/85/248387985.db2.gz JEAJGEVYFKFLLZ-JTQLQIEISA-N 2 2 286.376 -0.781 20 0 CBADLP CNC(=O)NC(=O)[C@H](C)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357646929 248387989 /nfs/dbraw/zinc/38/79/89/248387989.db2.gz JEAJGEVYFKFLLZ-JTQLQIEISA-N 2 2 286.376 -0.781 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000357723725 248399204 /nfs/dbraw/zinc/39/92/04/248399204.db2.gz AUINDKCPMMBXGM-DGCLKSJQSA-N 2 2 281.360 -0.363 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000357723725 248399207 /nfs/dbraw/zinc/39/92/07/248399207.db2.gz AUINDKCPMMBXGM-DGCLKSJQSA-N 2 2 281.360 -0.363 20 0 CBADLP C[C@H]1C[C@H](C(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)CC[NH2+]1 ZINC000358693795 248526082 /nfs/dbraw/zinc/52/60/82/248526082.db2.gz QUUJUTQONCUFLU-NWDGAFQWSA-N 2 2 296.415 -0.217 20 0 CBADLP Cn1cc[nH+]c1CNC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000266099123 190230203 /nfs/dbraw/zinc/23/02/03/190230203.db2.gz CUCLSTVVAXTZJZ-NSHDSACASA-N 2 2 293.371 -0.554 20 0 CBADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000346298486 217865820 /nfs/dbraw/zinc/86/58/20/217865820.db2.gz WCHSGPBZKCLYAO-NEPJUHHUSA-N 2 2 296.415 -0.088 20 0 CBADLP CCNS(=O)(=O)[C@H]1CC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000346986092 218079714 /nfs/dbraw/zinc/07/97/14/218079714.db2.gz RQPNTXDUZCTRSP-NEPJUHHUSA-N 2 2 275.418 0.000 20 0 CBADLP CCNS(=O)(=O)[C@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000346986092 218079716 /nfs/dbraw/zinc/07/97/16/218079716.db2.gz RQPNTXDUZCTRSP-NEPJUHHUSA-N 2 2 275.418 0.000 20 0 CBADLP Cc1[nH+]ccn1CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000266856686 190285350 /nfs/dbraw/zinc/28/53/50/190285350.db2.gz QXVDEFVIIBERHY-LLVKDONJSA-N 2 2 252.318 -0.362 20 0 CBADLP Cc1[nH+]ccn1CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000266856686 190285351 /nfs/dbraw/zinc/28/53/51/190285351.db2.gz QXVDEFVIIBERHY-LLVKDONJSA-N 2 2 252.318 -0.362 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC(C(N)=O)CC2)CC1 ZINC000078270413 207361383 /nfs/dbraw/zinc/36/13/83/207361383.db2.gz KBASAMOGESBOJL-GFCCVEGCSA-N 2 2 296.415 -0.264 20 0 CBADLP C[NH+]1CCC(NC(=O)NCC[NH+]2CCOCC2)CC1 ZINC000082339942 207362060 /nfs/dbraw/zinc/36/20/60/207362060.db2.gz HKMYCZAOGJBLLF-UHFFFAOYSA-N 2 2 270.377 -0.288 20 0 CBADLP C[C@@H](CNC(=O)[C@@]1(C)CC[NH2+]C1)[NH+]1CCOCC1 ZINC000164912524 207397640 /nfs/dbraw/zinc/39/76/40/207397640.db2.gz ODZMUYRSHNKNJE-AAEUAGOBSA-N 2 2 255.362 -0.177 20 0 CBADLP C[C@H](O)C[C@H]1CCC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000163218381 207394826 /nfs/dbraw/zinc/39/48/26/207394826.db2.gz ZEICVAKTDPUVDU-QWHCGFSZSA-N 2 2 269.389 -0.004 20 0 CBADLP C[C@H](O)C[C@H]1CCC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000163218381 207394830 /nfs/dbraw/zinc/39/48/30/207394830.db2.gz ZEICVAKTDPUVDU-QWHCGFSZSA-N 2 2 269.389 -0.004 20 0 CBADLP C[C@@H](O)C[C@H]1CCC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000163218499 207395634 /nfs/dbraw/zinc/39/56/34/207395634.db2.gz ZEICVAKTDPUVDU-CHWSQXEVSA-N 2 2 269.389 -0.004 20 0 CBADLP C[C@@H](O)C[C@H]1CCC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000163218499 207395639 /nfs/dbraw/zinc/39/56/39/207395639.db2.gz ZEICVAKTDPUVDU-CHWSQXEVSA-N 2 2 269.389 -0.004 20 0 CBADLP COCC[NH+]1CCN(C(=O)C[NH2+]C[C@@H]2CCCO2)CC1 ZINC000164003610 207398830 /nfs/dbraw/zinc/39/88/30/207398830.db2.gz RRJHYBKQGURPOD-ZDUSSCGKSA-N 2 2 285.388 -0.454 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)CC1 ZINC000419860132 207748271 /nfs/dbraw/zinc/74/82/71/207748271.db2.gz KMWCCBCBRRTCPC-NSHDSACASA-N 2 2 268.361 -0.996 20 0 CBADLP CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000420357498 207817342 /nfs/dbraw/zinc/81/73/42/207817342.db2.gz DQXPJRMOHZFOTO-AATLWQCWSA-N 2 2 256.350 -0.193 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]([NH2+]C)C2)CC1 ZINC000422982888 207868272 /nfs/dbraw/zinc/86/82/72/207868272.db2.gz XZJQIGVYXNXACP-LBPRGKRZSA-N 2 2 282.388 -0.639 20 0 CBADLP CN(C)c1[nH+]cc(CNC[C@@]2(O)CC[N@H+](C)C2)n1C ZINC000425337715 208017741 /nfs/dbraw/zinc/01/77/41/208017741.db2.gz NOTMBXJXKIOJHK-ZDUSSCGKSA-N 2 2 267.377 -0.358 20 0 CBADLP CN(C)c1[nH+]cc(CNC[C@@]2(O)CC[N@@H+](C)C2)n1C ZINC000425337715 208017747 /nfs/dbraw/zinc/01/77/47/208017747.db2.gz NOTMBXJXKIOJHK-ZDUSSCGKSA-N 2 2 267.377 -0.358 20 0 CBADLP CN(C)c1ncc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)n1C ZINC000425337715 208017752 /nfs/dbraw/zinc/01/77/52/208017752.db2.gz NOTMBXJXKIOJHK-ZDUSSCGKSA-N 2 2 267.377 -0.358 20 0 CBADLP CN(C)c1ncc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)n1C ZINC000425337715 208017759 /nfs/dbraw/zinc/01/77/59/208017759.db2.gz NOTMBXJXKIOJHK-ZDUSSCGKSA-N 2 2 267.377 -0.358 20 0 CBADLP CCC(=O)N1CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000425519266 208026188 /nfs/dbraw/zinc/02/61/88/208026188.db2.gz OKLQYEUWTLHEAH-UHFFFAOYSA-N 2 2 282.388 -0.338 20 0 CBADLP CCC(=O)N1CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000425519266 208026191 /nfs/dbraw/zinc/02/61/91/208026191.db2.gz OKLQYEUWTLHEAH-UHFFFAOYSA-N 2 2 282.388 -0.338 20 0 CBADLP O=C(NCCC[N@@H+]1CCNC(=O)C1)[C@@H]1CCC[NH+]1C1CC1 ZINC000426981559 208052771 /nfs/dbraw/zinc/05/27/71/208052771.db2.gz PCBSGJOMXYBJRO-ZDUSSCGKSA-N 2 2 294.399 -0.449 20 0 CBADLP O=C(NCCC[N@H+]1CCNC(=O)C1)[C@@H]1CCC[NH+]1C1CC1 ZINC000426981559 208052774 /nfs/dbraw/zinc/05/27/74/208052774.db2.gz PCBSGJOMXYBJRO-ZDUSSCGKSA-N 2 2 294.399 -0.449 20 0 CBADLP O=C(NCCC[NH+]1CCNC(=O)C1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000426981559 208052780 /nfs/dbraw/zinc/05/27/80/208052780.db2.gz PCBSGJOMXYBJRO-ZDUSSCGKSA-N 2 2 294.399 -0.449 20 0 CBADLP O=C(NCCC[NH+]1CCNC(=O)C1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000426981559 208052787 /nfs/dbraw/zinc/05/27/87/208052787.db2.gz PCBSGJOMXYBJRO-ZDUSSCGKSA-N 2 2 294.399 -0.449 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH+]2CCC(O)(C(F)F)CC2)CC1 ZINC000426251279 208044302 /nfs/dbraw/zinc/04/43/02/208044302.db2.gz LBFKEEOQQVFKKY-UHFFFAOYSA-N 2 2 291.342 -0.148 20 0 CBADLP CC[C@@H]1C[N@H+](CCNC(=O)[C@H]2C[NH+](C)CCO2)CCO1 ZINC000428086307 208076509 /nfs/dbraw/zinc/07/65/09/208076509.db2.gz BCIIOVKLXFLWRK-CHWSQXEVSA-N 2 2 285.388 -0.456 20 0 CBADLP CC[C@@H]1C[N@@H+](CCNC(=O)[C@H]2C[NH+](C)CCO2)CCO1 ZINC000428086307 208076514 /nfs/dbraw/zinc/07/65/14/208076514.db2.gz BCIIOVKLXFLWRK-CHWSQXEVSA-N 2 2 285.388 -0.456 20 0 CBADLP CC[C@@H]1C[NH+](CCNC(=O)[C@H]2C[N@H+](C)CCO2)CCO1 ZINC000428086307 208076524 /nfs/dbraw/zinc/07/65/24/208076524.db2.gz BCIIOVKLXFLWRK-CHWSQXEVSA-N 2 2 285.388 -0.456 20 0 CBADLP CC[C@@H]1C[NH+](CCNC(=O)[C@H]2C[N@@H+](C)CCO2)CCO1 ZINC000428086307 208076525 /nfs/dbraw/zinc/07/65/25/208076525.db2.gz BCIIOVKLXFLWRK-CHWSQXEVSA-N 2 2 285.388 -0.456 20 0 CBADLP CC[C@H]1C[N@H+](CCNC(=O)[C@H]2C[NH+](C)CCO2)CCO1 ZINC000428086313 208076721 /nfs/dbraw/zinc/07/67/21/208076721.db2.gz BCIIOVKLXFLWRK-QWHCGFSZSA-N 2 2 285.388 -0.456 20 0 CBADLP CC[C@H]1C[N@@H+](CCNC(=O)[C@H]2C[NH+](C)CCO2)CCO1 ZINC000428086313 208076726 /nfs/dbraw/zinc/07/67/26/208076726.db2.gz BCIIOVKLXFLWRK-QWHCGFSZSA-N 2 2 285.388 -0.456 20 0 CBADLP CC[C@H]1C[NH+](CCNC(=O)[C@H]2C[N@H+](C)CCO2)CCO1 ZINC000428086313 208076731 /nfs/dbraw/zinc/07/67/31/208076731.db2.gz BCIIOVKLXFLWRK-QWHCGFSZSA-N 2 2 285.388 -0.456 20 0 CBADLP CC[C@H]1C[NH+](CCNC(=O)[C@H]2C[N@@H+](C)CCO2)CCO1 ZINC000428086313 208076733 /nfs/dbraw/zinc/07/67/33/208076733.db2.gz BCIIOVKLXFLWRK-QWHCGFSZSA-N 2 2 285.388 -0.456 20 0 CBADLP CC[NH+]1CCN(CC(=O)N2CC[N@H+](CCO)[C@@H](C)C2)CC1 ZINC000428519605 208091812 /nfs/dbraw/zinc/09/18/12/208091812.db2.gz PPCVWIZSELTJJS-AWEZNQCLSA-N 2 2 298.431 -0.851 20 0 CBADLP CC[NH+]1CCN(CC(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)CC1 ZINC000428519605 208091816 /nfs/dbraw/zinc/09/18/16/208091816.db2.gz PPCVWIZSELTJJS-AWEZNQCLSA-N 2 2 298.431 -0.851 20 0 CBADLP C[NH2+]C[C@H]1CCN(C(=O)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000429469989 208123302 /nfs/dbraw/zinc/12/33/02/208123302.db2.gz OTSLAUGSHVLNHS-VXGBXAGGSA-N 2 2 255.362 -0.225 20 0 CBADLP CC(C)[NH+]1CC(NC(=O)[C@H](C)N2CC[NH+](C)CC2)C1 ZINC000430436436 208160009 /nfs/dbraw/zinc/16/00/09/208160009.db2.gz SEJXSNYNFJNZID-LBPRGKRZSA-N 2 2 268.405 -0.169 20 0 CBADLP C[C@H](NC(=O)C[NH2+][C@@](C)(C[NH3+])C1CC1)C(=O)N(C)C ZINC000430574623 208165378 /nfs/dbraw/zinc/16/53/78/208165378.db2.gz OLSPABRLBJAUKU-ZANVPECISA-N 2 2 270.377 -0.704 20 0 CBADLP CC(=O)N1CCN(C(=O)C[NH2+][C@@](C)(C[NH3+])C(C)C)CC1 ZINC000430548704 208165889 /nfs/dbraw/zinc/16/58/89/208165889.db2.gz HEFZNETUWCZJGW-AWEZNQCLSA-N 2 2 284.404 -0.360 20 0 CBADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)NCC(=O)N2CCCC2)C1 ZINC000430571152 208166026 /nfs/dbraw/zinc/16/60/26/208166026.db2.gz LJJXAOIYXJBRQG-STQMWFEESA-N 2 2 296.415 -0.216 20 0 CBADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)NCC(=O)N2CCCC2)C1 ZINC000430571152 208166030 /nfs/dbraw/zinc/16/60/30/208166030.db2.gz LJJXAOIYXJBRQG-STQMWFEESA-N 2 2 296.415 -0.216 20 0 CBADLP C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[NH+]1CCC([NH3+])CC1 ZINC000430599315 208166895 /nfs/dbraw/zinc/16/68/95/208166895.db2.gz AFHBLEUCRGXSTK-WDEREUQCSA-N 2 2 282.388 -0.478 20 0 CBADLP C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)[NH+]1CCC([NH3+])CC1 ZINC000430599314 208167320 /nfs/dbraw/zinc/16/73/20/208167320.db2.gz AFHBLEUCRGXSTK-QWRGUYRKSA-N 2 2 282.388 -0.478 20 0 CBADLP C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[NH+]1CCC([NH3+])CC1 ZINC000430644643 208168387 /nfs/dbraw/zinc/16/83/87/208168387.db2.gz TYUSHILKIHMRFK-JTQLQIEISA-N 2 2 282.388 -0.465 20 0 CBADLP COC[C@@H](C)NC(=O)NC(=O)C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000430621249 208169674 /nfs/dbraw/zinc/16/96/74/208169674.db2.gz COESUDHIXJOVRY-GHMZBOCLSA-N 2 2 286.376 -0.482 20 0 CBADLP COC[C@@H](C)NC(=O)NC(=O)C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000430621249 208169679 /nfs/dbraw/zinc/16/96/79/208169679.db2.gz COESUDHIXJOVRY-GHMZBOCLSA-N 2 2 286.376 -0.482 20 0 CBADLP O=C(NCCCC[NH+]1CCOCC1)[C@@H]1COCC[NH2+]1 ZINC000430677942 208171424 /nfs/dbraw/zinc/17/14/24/208171424.db2.gz HTHWVTFXEQMKJQ-LBPRGKRZSA-N 2 2 271.361 -0.797 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000430689168 208172487 /nfs/dbraw/zinc/17/24/87/208172487.db2.gz BDXBSNHNRSIIHP-NWDGAFQWSA-N 2 2 280.372 -0.839 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000430689168 208172494 /nfs/dbraw/zinc/17/24/94/208172494.db2.gz BDXBSNHNRSIIHP-NWDGAFQWSA-N 2 2 280.372 -0.839 20 0 CBADLP O=C(COC1C[NH2+]C1)NCc1cn2ccccc2[nH+]1 ZINC000430685999 208172785 /nfs/dbraw/zinc/17/27/85/208172785.db2.gz KOMUJQPYSQYYMH-UHFFFAOYSA-N 2 2 260.297 -0.061 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000430680439 208172999 /nfs/dbraw/zinc/17/29/99/208172999.db2.gz OPFWMFVGNJMTMA-LLVKDONJSA-N 2 2 291.355 -0.453 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)NC1CC[NH+](CC2CC2)CC1 ZINC000430682103 208173250 /nfs/dbraw/zinc/17/32/50/208173250.db2.gz GJCKHXBXIWGKSB-UHFFFAOYSA-N 2 2 294.399 -0.591 20 0 CBADLP CN(C)c1[nH+]cc(CNC(=O)[C@H]2COCC[NH2+]2)n1C ZINC000430710717 208176391 /nfs/dbraw/zinc/17/63/91/208176391.db2.gz BKBPNLOLZWLWNB-SNVBAGLBSA-N 2 2 267.333 -0.909 20 0 CBADLP CCOCC[NH+]1CCN(C(=O)COC2C[NH2+]C2)CC1 ZINC000430752269 208179219 /nfs/dbraw/zinc/17/92/19/208179219.db2.gz BOXCDZXZLSKHGT-UHFFFAOYSA-N 2 2 271.361 -0.845 20 0 CBADLP CC(C)(C[NH3+])C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000430801433 208180298 /nfs/dbraw/zinc/18/02/98/208180298.db2.gz ZYNFNMKRQWGLLM-UHFFFAOYSA-N 2 2 270.377 -0.621 20 0 CBADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@@H]2CCCC[NH2+]2)CC1 ZINC000430796756 208180656 /nfs/dbraw/zinc/18/06/56/208180656.db2.gz BHGWMHIPWXCDTC-NSHDSACASA-N 2 2 282.388 -0.463 20 0 CBADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000430771307 208180870 /nfs/dbraw/zinc/18/08/70/208180870.db2.gz CMNGPRBEZHPWTH-LBPRGKRZSA-N 3 2 268.405 -0.262 20 0 CBADLP CC[N@@H+]1CC[C@H](N(C)C(=O)CN2CC[NH2+]CC2=O)C[C@H]1C ZINC000430804156 208185352 /nfs/dbraw/zinc/18/53/52/208185352.db2.gz XUJMMJQAMALOPI-OLZOCXBDSA-N 2 2 296.415 -0.251 20 0 CBADLP CC[N@H+]1CC[C@H](N(C)C(=O)CN2CC[NH2+]CC2=O)C[C@H]1C ZINC000430804156 208185356 /nfs/dbraw/zinc/18/53/56/208185356.db2.gz XUJMMJQAMALOPI-OLZOCXBDSA-N 2 2 296.415 -0.251 20 0 CBADLP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000430943276 208192386 /nfs/dbraw/zinc/19/23/86/208192386.db2.gz OLTWHBPHYRNNOK-MNOVXSKESA-N 2 2 282.388 -0.608 20 0 CBADLP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430943276 208192391 /nfs/dbraw/zinc/19/23/91/208192391.db2.gz OLTWHBPHYRNNOK-MNOVXSKESA-N 2 2 282.388 -0.608 20 0 CBADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000430931178 208192976 /nfs/dbraw/zinc/19/29/76/208192976.db2.gz YWUJNTRKBDGKRW-WDEREUQCSA-N 2 2 268.361 -0.996 20 0 CBADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000430931178 208192983 /nfs/dbraw/zinc/19/29/83/208192983.db2.gz YWUJNTRKBDGKRW-WDEREUQCSA-N 2 2 268.361 -0.996 20 0 CBADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000430931171 208193861 /nfs/dbraw/zinc/19/38/61/208193861.db2.gz YWUJNTRKBDGKRW-GHMZBOCLSA-N 2 2 268.361 -0.996 20 0 CBADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000430931171 208193877 /nfs/dbraw/zinc/19/38/77/208193877.db2.gz YWUJNTRKBDGKRW-GHMZBOCLSA-N 2 2 268.361 -0.996 20 0 CBADLP O=C(C[C@@H]1C[NH2+]CCO1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000431005635 208195847 /nfs/dbraw/zinc/19/58/47/208195847.db2.gz NOAXCGFYTOPERM-GFCCVEGCSA-N 2 2 293.371 -0.568 20 0 CBADLP [NH3+]C[C@H]1CC[N@H+](CC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000430964953 208196924 /nfs/dbraw/zinc/19/69/24/208196924.db2.gz GVBQQWKZWYOZEJ-SSDOTTSWSA-N 2 2 282.266 -0.345 20 0 CBADLP [NH3+]C[C@H]1CC[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000430964953 208196928 /nfs/dbraw/zinc/19/69/28/208196928.db2.gz GVBQQWKZWYOZEJ-SSDOTTSWSA-N 2 2 282.266 -0.345 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1)[NH+]1CCN(C)CC1 ZINC000431013598 208199969 /nfs/dbraw/zinc/19/99/69/208199969.db2.gz YWBKMFMZYNUOKI-JHJVBQTASA-N 2 2 268.405 -0.134 20 0 CBADLP CCN1CC[NH+](CCCNC(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000431017367 208200007 /nfs/dbraw/zinc/20/00/07/208200007.db2.gz PYEBJQCFKRCEAJ-CYBMUJFWSA-N 2 2 284.404 -0.881 20 0 CBADLP CC1(C)C[N@H+](CCNC(=O)C[C@H]2C[NH2+]CCO2)CCO1 ZINC000431059786 208201607 /nfs/dbraw/zinc/20/16/07/208201607.db2.gz QHBFJXVDUXOQRG-LBPRGKRZSA-N 2 2 285.388 -0.408 20 0 CBADLP CC1(C)C[N@@H+](CCNC(=O)C[C@H]2C[NH2+]CCO2)CCO1 ZINC000431059786 208201609 /nfs/dbraw/zinc/20/16/09/208201609.db2.gz QHBFJXVDUXOQRG-LBPRGKRZSA-N 2 2 285.388 -0.408 20 0 CBADLP O=C(C[C@H]1C[NH2+]CCO1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000431033282 208203091 /nfs/dbraw/zinc/20/30/91/208203091.db2.gz HRTJPXDLWJUAHG-KGLIPLIRSA-N 2 2 297.399 -0.312 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@@H](C[NH3+])C(C)C)CC1 ZINC000433157559 208239597 /nfs/dbraw/zinc/23/95/97/208239597.db2.gz GPDQKAPOARHHRW-ZDUSSCGKSA-N 2 2 284.404 -0.502 20 0 CBADLP CC(C)[C@H](C[NH3+])C(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000433167769 208239922 /nfs/dbraw/zinc/23/99/22/208239922.db2.gz JWYJQRXCANZTRO-OLZOCXBDSA-N 2 2 270.421 -0.031 20 0 CBADLP C[C@H]([NH3+])CCC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000434682130 208265020 /nfs/dbraw/zinc/26/50/20/208265020.db2.gz VAMVFGXEUBAUBZ-JTQLQIEISA-N 2 2 270.377 -0.478 20 0 CBADLP C[C@H](C(=O)NCC[N@@H+]1CCCOCC1)N1CC[NH+](C)CC1 ZINC000438695784 208312158 /nfs/dbraw/zinc/31/21/58/208312158.db2.gz SUFWONYCWVHUED-CQSZACIVSA-N 2 2 298.431 -0.539 20 0 CBADLP C[C@H](C(=O)NCC[N@H+]1CCCOCC1)N1CC[NH+](C)CC1 ZINC000438695784 208312160 /nfs/dbraw/zinc/31/21/60/208312160.db2.gz SUFWONYCWVHUED-CQSZACIVSA-N 2 2 298.431 -0.539 20 0 CBADLP C[N@H+](CC(=O)N1CCNC(=O)C1)[C@H]1CCC[NH2+]CC1 ZINC000435620653 208281200 /nfs/dbraw/zinc/28/12/00/208281200.db2.gz DWVVAHKWDLFBOE-NSHDSACASA-N 2 2 268.361 -0.981 20 0 CBADLP C[N@@H+](CC(=O)N1CCNC(=O)C1)[C@H]1CCC[NH2+]CC1 ZINC000435620653 208281207 /nfs/dbraw/zinc/28/12/07/208281207.db2.gz DWVVAHKWDLFBOE-NSHDSACASA-N 2 2 268.361 -0.981 20 0 CBADLP CCS(=O)(=O)N1CC(C[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC000438902570 208314212 /nfs/dbraw/zinc/31/42/12/208314212.db2.gz GFNSSQMYVPSQES-JQWIXIFHSA-N 2 2 275.418 -0.192 20 0 CBADLP CCS(=O)(=O)N1CC(C[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC000438902570 208314219 /nfs/dbraw/zinc/31/42/19/208314219.db2.gz GFNSSQMYVPSQES-JQWIXIFHSA-N 2 2 275.418 -0.192 20 0 CBADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C[C@H](C)[NH3+])CC1 ZINC000442667587 208359245 /nfs/dbraw/zinc/35/92/45/208359245.db2.gz YJXYMBKAFWZVTM-QWHCGFSZSA-N 2 2 268.405 -0.038 20 0 CBADLP O=C1NCCC[C@@H]1[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000336803637 296369384 /nfs/dbraw/zinc/36/93/84/296369384.db2.gz ZCWGRDXEFZMTCK-STQMWFEESA-N 2 2 267.373 -0.081 20 0 CBADLP O=C1NCCC[C@@H]1[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000336803637 296369387 /nfs/dbraw/zinc/36/93/87/296369387.db2.gz ZCWGRDXEFZMTCK-STQMWFEESA-N 2 2 267.373 -0.081 20 0 CBADLP C[NH+](C)CC(=O)N1CC[NH+](CC2(C)COC2)CC1 ZINC000441183363 208349825 /nfs/dbraw/zinc/34/98/25/208349825.db2.gz RSZMOIHFUZFSDQ-UHFFFAOYSA-N 2 2 255.362 -0.271 20 0 CBADLP C[C@H](C[NH+](C)C)NC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000350519945 219033130 /nfs/dbraw/zinc/03/31/30/219033130.db2.gz QOGRGDMIEKJRPK-VXGBXAGGSA-N 2 2 272.393 -0.044 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@H](C)N2CC[NH+](C)CC2)CC1 ZINC000353839163 220360432 /nfs/dbraw/zinc/36/04/32/220360432.db2.gz DJTUWONQBFVGEE-AWEZNQCLSA-N 2 2 298.431 -0.587 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000422980367 220564483 /nfs/dbraw/zinc/56/44/83/220564483.db2.gz PCVXRONPDWUBBN-NWDGAFQWSA-N 2 2 282.388 -0.654 20 0 CBADLP Cn1nccc1CCC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000575044672 335058457 /nfs/dbraw/zinc/05/84/57/335058457.db2.gz PQSXIIPUVSBWDJ-LBPRGKRZSA-N 2 2 265.361 -0.546 20 0 CBADLP Cn1nccc1CCC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000575044672 335058458 /nfs/dbraw/zinc/05/84/58/335058458.db2.gz PQSXIIPUVSBWDJ-LBPRGKRZSA-N 2 2 265.361 -0.546 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000094565889 184819490 /nfs/dbraw/zinc/81/94/90/184819490.db2.gz GIFFJTQXTGUOPC-TUAOUCFPSA-N 2 2 271.361 -0.670 20 0 CBADLP COC(=O)CNC(=O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000176913385 533519867 /nfs/dbraw/zinc/51/98/67/533519867.db2.gz WMWJTRDPGIOYGY-UHFFFAOYSA-N 2 2 280.328 -0.191 20 0 CBADLP O=C([C@H]1COCC[NH2+]1)N1CCN(c2cccc[nH+]2)CC1 ZINC000088357708 135054361 /nfs/dbraw/zinc/05/43/61/135054361.db2.gz BSMJIRWPTMICGP-GFCCVEGCSA-N 2 2 276.340 -0.281 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)N2CC[NH+](C[C@H](C)O)C[C@H]2C)[N@H+](C)C1 ZINC000408056050 286082755 /nfs/dbraw/zinc/08/27/55/286082755.db2.gz CDJLJPDDZYZTJX-RFGFWPKPSA-N 2 2 299.415 -0.381 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)N2CC[NH+](C[C@H](C)O)C[C@H]2C)[N@@H+](C)C1 ZINC000408056050 286082756 /nfs/dbraw/zinc/08/27/56/286082756.db2.gz CDJLJPDDZYZTJX-RFGFWPKPSA-N 2 2 299.415 -0.381 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)[NH+](C)C1 ZINC000408056050 286082759 /nfs/dbraw/zinc/08/27/59/286082759.db2.gz CDJLJPDDZYZTJX-RFGFWPKPSA-N 2 2 299.415 -0.381 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)[NH+](C)C1 ZINC000408056050 286082762 /nfs/dbraw/zinc/08/27/62/286082762.db2.gz CDJLJPDDZYZTJX-RFGFWPKPSA-N 2 2 299.415 -0.381 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000430895572 297126298 /nfs/dbraw/zinc/12/62/98/297126298.db2.gz UYAZBPOURVLOGH-VXGBXAGGSA-N 2 2 271.361 -0.798 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000430895572 297126300 /nfs/dbraw/zinc/12/63/00/297126300.db2.gz UYAZBPOURVLOGH-VXGBXAGGSA-N 2 2 271.361 -0.798 20 0 CBADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)[C@@H](C)C[NH3+])CC1 ZINC000262497672 298141031 /nfs/dbraw/zinc/14/10/31/298141031.db2.gz IJGZMTITYRTIMA-WDEREUQCSA-N 2 2 282.388 -0.608 20 0 CBADLP C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000331544320 289539068 /nfs/dbraw/zinc/53/90/68/289539068.db2.gz VYGRYSALSXEWTP-SNVBAGLBSA-N 2 2 268.361 -0.901 20 0 CBADLP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000423678400 286921907 /nfs/dbraw/zinc/92/19/07/286921907.db2.gz KZCOOSWEBUEBQC-VXGBXAGGSA-N 2 2 282.388 -0.511 20 0 CBADLP C[C@@H](O)C[N@@H+]1CCN(CC(=O)N2CC[NH+](C)CC2)C[C@H]1C ZINC000120989077 287094083 /nfs/dbraw/zinc/09/40/83/287094083.db2.gz WOQZUIUASVIIPT-ZIAGYGMSSA-N 2 2 298.431 -0.853 20 0 CBADLP C[C@@H](O)C[N@H+]1CCN(CC(=O)N2CC[NH+](C)CC2)C[C@H]1C ZINC000120989077 287094087 /nfs/dbraw/zinc/09/40/87/287094087.db2.gz WOQZUIUASVIIPT-ZIAGYGMSSA-N 2 2 298.431 -0.853 20 0 CBADLP C[C@](C[NH3+])([NH2+]CC(=O)NC[C@H]1CCCO1)C1CC1 ZINC000576280307 335181897 /nfs/dbraw/zinc/18/18/97/335181897.db2.gz IVRIIVWUVJDILQ-DGCLKSJQSA-N 2 2 255.362 -0.001 20 0 CBADLP C[C@@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662900535 414061356 /nfs/dbraw/zinc/06/13/56/414061356.db2.gz NCRGZCODKNMEOJ-DGCLKSJQSA-N 3 2 268.405 -0.040 20 0 CBADLP C[C@@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662900535 414061368 /nfs/dbraw/zinc/06/13/68/414061368.db2.gz NCRGZCODKNMEOJ-DGCLKSJQSA-N 3 2 268.405 -0.040 20 0 CBADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000662899964 414060045 /nfs/dbraw/zinc/06/00/45/414060045.db2.gz JBTDBOKXFXJKKW-MNOVXSKESA-N 2 2 293.371 -0.052 20 0 CBADLP C[NH2+]CC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662901177 414060632 /nfs/dbraw/zinc/06/06/32/414060632.db2.gz UFPVPGLRDNWJEG-CYBMUJFWSA-N 3 2 268.405 -0.167 20 0 CBADLP C[NH2+]CC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662901177 414060642 /nfs/dbraw/zinc/06/06/42/414060642.db2.gz UFPVPGLRDNWJEG-CYBMUJFWSA-N 3 2 268.405 -0.167 20 0 CBADLP CC(C)[C@H](C)NC(=O)C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031376 174025785 /nfs/dbraw/zinc/02/57/85/174025785.db2.gz ZTFJHVIOLFGQQI-LBPRGKRZSA-N 2 2 284.404 -0.489 20 0 CBADLP CC(C)[C@H](C)NC(=O)C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031376 174025787 /nfs/dbraw/zinc/02/57/87/174025787.db2.gz ZTFJHVIOLFGQQI-LBPRGKRZSA-N 2 2 284.404 -0.489 20 0 CBADLP CC[C@@H](C)NC(=O)[C@H](C)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031555 174025928 /nfs/dbraw/zinc/02/59/28/174025928.db2.gz BDKZHALARRERKN-NEPJUHHUSA-N 2 2 284.404 -0.347 20 0 CBADLP CC[C@@H](C)NC(=O)[C@H](C)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031555 174025930 /nfs/dbraw/zinc/02/59/30/174025930.db2.gz BDKZHALARRERKN-NEPJUHHUSA-N 2 2 284.404 -0.347 20 0 CBADLP CC(C)CNC(=O)[C@H](C)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031538 174025957 /nfs/dbraw/zinc/02/59/57/174025957.db2.gz QWAZKALNWROPAK-LBPRGKRZSA-N 2 2 284.404 -0.489 20 0 CBADLP CC(C)CNC(=O)[C@H](C)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031538 174025959 /nfs/dbraw/zinc/02/59/59/174025959.db2.gz QWAZKALNWROPAK-LBPRGKRZSA-N 2 2 284.404 -0.489 20 0 CBADLP CCCNC(=O)[C@@H](C)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031547 174026365 /nfs/dbraw/zinc/02/63/65/174026365.db2.gz ZYUUTQQBWXKAFP-LLVKDONJSA-N 2 2 270.377 -0.735 20 0 CBADLP CCCNC(=O)[C@@H](C)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031547 174026367 /nfs/dbraw/zinc/02/63/67/174026367.db2.gz ZYUUTQQBWXKAFP-LLVKDONJSA-N 2 2 270.377 -0.735 20 0 CBADLP COCC[NH+]1CCN(C(=O)NCCn2cc[nH+]c2)CC1 ZINC000043310335 175004178 /nfs/dbraw/zinc/00/41/78/175004178.db2.gz YNBURWVBQAUPCR-UHFFFAOYSA-N 2 2 281.360 -0.143 20 0 CBADLP CC(C)C[C@H](CNC(=O)[C@H]1C[NH2+]CCO1)[NH+]1CCOCC1 ZINC000043800707 175106536 /nfs/dbraw/zinc/10/65/36/175106536.db2.gz HGRZXCMGDOWKRV-ZIAGYGMSSA-N 2 2 299.415 -0.162 20 0 CBADLP C[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](C)CC2)[C@H]1C[NH3+] ZINC000423741824 287322887 /nfs/dbraw/zinc/32/28/87/287322887.db2.gz TYZJOAQGAOIWKJ-NEPJUHHUSA-N 2 2 282.388 -0.654 20 0 CBADLP CCOC[C@H](O)C[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000078699736 177373809 /nfs/dbraw/zinc/37/38/09/177373809.db2.gz KZYDGLNJPBISDL-CQSZACIVSA-N 2 2 299.415 -0.376 20 0 CBADLP C[C@@H]1CCC[N@H+](CCC(=O)N2CC[NH2+]CC2)[C@@H]1C[NH3+] ZINC000262103812 287346831 /nfs/dbraw/zinc/34/68/31/287346831.db2.gz MERKJTWECDXILX-CHWSQXEVSA-N 3 2 268.405 -0.133 20 0 CBADLP C[C@@H]1CCC[N@@H+](CCC(=O)N2CC[NH2+]CC2)[C@@H]1C[NH3+] ZINC000262103812 287346833 /nfs/dbraw/zinc/34/68/33/287346833.db2.gz MERKJTWECDXILX-CHWSQXEVSA-N 3 2 268.405 -0.133 20 0 CBADLP CNC(=O)NC(=O)[C@@H](C)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000575192345 335078288 /nfs/dbraw/zinc/07/82/88/335078288.db2.gz QMGWHWRNXRDCFT-SECBINFHSA-N 2 2 280.332 -0.624 20 0 CBADLP C[NH+](C)CC(=O)N1CC[NH+](C[C@H]2COCCO2)CC1 ZINC000354921627 227238166 /nfs/dbraw/zinc/23/81/66/227238166.db2.gz PYNSFSNTFAYPIR-LBPRGKRZSA-N 2 2 271.361 -0.892 20 0 CBADLP CN(C)C(=O)C[NH+]1CCN(C(=O)CC[NH2+]C2CC2)CC1 ZINC000037800610 544418501 /nfs/dbraw/zinc/41/85/01/544418501.db2.gz SAJXYAHTCHIGJC-UHFFFAOYSA-N 2 2 282.388 -0.639 20 0 CBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000083002113 544430235 /nfs/dbraw/zinc/43/02/35/544430235.db2.gz YERQZLFNWMSUEP-KBPBESRZSA-N 2 2 299.415 -0.378 20 0 CBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC000083002113 544430241 /nfs/dbraw/zinc/43/02/41/544430241.db2.gz YERQZLFNWMSUEP-KBPBESRZSA-N 2 2 299.415 -0.378 20 0 CBADLP CN1C(=O)CC[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)C1=O ZINC000090030434 544438282 /nfs/dbraw/zinc/43/82/82/544438282.db2.gz OQZDKHHKVSOPSZ-QWRGUYRKSA-N 2 2 269.345 -0.820 20 0 CBADLP COCC[NH2+]CC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000092495736 544441755 /nfs/dbraw/zinc/44/17/55/544441755.db2.gz JWMMRXQDOZLYPT-ZDUSSCGKSA-N 2 2 285.388 -0.454 20 0 CBADLP C[C@@H](NC(=O)NCCn1cc[nH+]c1)[C@@H]1C[N@H+](C)CCO1 ZINC000119527093 544449761 /nfs/dbraw/zinc/44/97/61/544449761.db2.gz QCUWLYGVEIFNEA-NEPJUHHUSA-N 2 2 281.360 -0.099 20 0 CBADLP C[C@@H](NC(=O)NCCn1cc[nH+]c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000119527093 544449764 /nfs/dbraw/zinc/44/97/64/544449764.db2.gz QCUWLYGVEIFNEA-NEPJUHHUSA-N 2 2 281.360 -0.099 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCCCC[C@H]2CO)CC1 ZINC000157128457 544471961 /nfs/dbraw/zinc/47/19/61/544471961.db2.gz SXCBGAYJMRFKME-ZDUSSCGKSA-N 2 2 269.389 -0.003 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CCCCC[C@H]2CO)CC1 ZINC000157128457 544471964 /nfs/dbraw/zinc/47/19/64/544471964.db2.gz SXCBGAYJMRFKME-ZDUSSCGKSA-N 2 2 269.389 -0.003 20 0 CBADLP CN(Cc1[nH+]ccn1C)C(=O)COC1(C)C[NH2+]C1 ZINC000161126502 544475039 /nfs/dbraw/zinc/47/50/39/544475039.db2.gz NIUHDQRJFCZNMF-UHFFFAOYSA-N 2 2 252.318 -0.243 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+]CC[C@@H]2CCOC2)CC1 ZINC000220633793 544490475 /nfs/dbraw/zinc/49/04/75/544490475.db2.gz WTDHLXOJPDRZKK-GFCCVEGCSA-N 2 2 255.362 -0.223 20 0 CBADLP CC(C)[C@H]([NH3+])C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000236713256 544506781 /nfs/dbraw/zinc/50/67/81/544506781.db2.gz OBFCZQDMYSGEMM-NEPJUHHUSA-N 2 2 273.377 -0.879 20 0 CBADLP C[C@H]1CCC[N@H+](CCC(=O)N2CC[NH2+]CC2)[C@@H]1C[NH3+] ZINC000262103816 544517375 /nfs/dbraw/zinc/51/73/75/544517375.db2.gz MERKJTWECDXILX-QWHCGFSZSA-N 3 2 268.405 -0.133 20 0 CBADLP C[C@H]1CCC[N@@H+](CCC(=O)N2CC[NH2+]CC2)[C@@H]1C[NH3+] ZINC000262103816 544517377 /nfs/dbraw/zinc/51/73/77/544517377.db2.gz MERKJTWECDXILX-QWHCGFSZSA-N 3 2 268.405 -0.133 20 0 CBADLP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CC[NH+](CC)CC1 ZINC000343009638 544553978 /nfs/dbraw/zinc/55/39/78/544553978.db2.gz IDWXVJKTEDKUQF-ZDUSSCGKSA-N 2 2 298.431 -0.003 20 0 CBADLP O[C@@H](CN1CCn2c[nH+]cc2C1)C[NH+]1CCOCC1 ZINC000660576736 419408415 /nfs/dbraw/zinc/40/84/15/419408415.db2.gz FYXPXXZWCNPLTE-CYBMUJFWSA-N 2 2 266.345 -0.608 20 0 CBADLP CN1CC(=O)N(CC[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)C1=O ZINC000660616962 419413453 /nfs/dbraw/zinc/41/34/53/419413453.db2.gz SRZXXVVGSNMLBE-CQSZACIVSA-N 2 2 280.372 -0.092 20 0 CBADLP CN1CC(=O)N(CC[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)C1=O ZINC000660616962 419413459 /nfs/dbraw/zinc/41/34/59/419413459.db2.gz SRZXXVVGSNMLBE-CQSZACIVSA-N 2 2 280.372 -0.092 20 0 CBADLP CN1CC(=O)N(CC[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)C1=O ZINC000660616962 419413463 /nfs/dbraw/zinc/41/34/63/419413463.db2.gz SRZXXVVGSNMLBE-CQSZACIVSA-N 2 2 280.372 -0.092 20 0 CBADLP CN1CC(=O)N(CC[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)C1=O ZINC000660616962 419413471 /nfs/dbraw/zinc/41/34/71/419413471.db2.gz SRZXXVVGSNMLBE-CQSZACIVSA-N 2 2 280.372 -0.092 20 0 CBADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCN1C(=O)CNC1=O)C2 ZINC000660658706 419418022 /nfs/dbraw/zinc/41/80/22/419418022.db2.gz JIEVJBHGFAMDPI-AWEZNQCLSA-N 2 2 280.372 -0.044 20 0 CBADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCN1C(=O)CNC1=O)C2 ZINC000660658706 419418033 /nfs/dbraw/zinc/41/80/33/419418033.db2.gz JIEVJBHGFAMDPI-AWEZNQCLSA-N 2 2 280.372 -0.044 20 0 CBADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCN1C(=O)CNC1=O)C2 ZINC000660658706 419418037 /nfs/dbraw/zinc/41/80/37/419418037.db2.gz JIEVJBHGFAMDPI-AWEZNQCLSA-N 2 2 280.372 -0.044 20 0 CBADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCN1C(=O)CNC1=O)C2 ZINC000660658706 419418045 /nfs/dbraw/zinc/41/80/45/419418045.db2.gz JIEVJBHGFAMDPI-AWEZNQCLSA-N 2 2 280.372 -0.044 20 0 CBADLP Cc1nc(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)nc(N)[nH+]1 ZINC000631372105 419486683 /nfs/dbraw/zinc/48/66/83/419486683.db2.gz HNRIVQRXMSBDCW-LLVKDONJSA-N 2 2 278.360 -0.202 20 0 CBADLP Cc1nc(N2CCC([N@H+]3CC[C@@H](O)C3)CC2)nc(N)[nH+]1 ZINC000631372105 419486689 /nfs/dbraw/zinc/48/66/89/419486689.db2.gz HNRIVQRXMSBDCW-LLVKDONJSA-N 2 2 278.360 -0.202 20 0 CBADLP Cc1nc(N)nc(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)[nH+]1 ZINC000631372105 419486695 /nfs/dbraw/zinc/48/66/95/419486695.db2.gz HNRIVQRXMSBDCW-LLVKDONJSA-N 2 2 278.360 -0.202 20 0 CBADLP Cc1nc(N)nc(N2CCC([N@H+]3CC[C@@H](O)C3)CC2)[nH+]1 ZINC000631372105 419486698 /nfs/dbraw/zinc/48/66/98/419486698.db2.gz HNRIVQRXMSBDCW-LLVKDONJSA-N 2 2 278.360 -0.202 20 0 CBADLP C[C@@H]1C[C@@H](NC(=O)NC[C@H]2COCC[N@@H+]2C)CC[NH2+]1 ZINC000627089888 419445832 /nfs/dbraw/zinc/44/58/32/419445832.db2.gz PXDDZKGDGLTNSJ-WOPDTQHZSA-N 2 2 270.377 -0.243 20 0 CBADLP C[C@@H]1C[C@@H](NC(=O)NC[C@H]2COCC[N@H+]2C)CC[NH2+]1 ZINC000627089888 419445844 /nfs/dbraw/zinc/44/58/44/419445844.db2.gz PXDDZKGDGLTNSJ-WOPDTQHZSA-N 2 2 270.377 -0.243 20 0 CBADLP COC[C@@H]1C[C@@H](O)C[N@@H+]1C[C@H](O)C[NH+](C)C(C)C ZINC000660915630 419459128 /nfs/dbraw/zinc/45/91/28/419459128.db2.gz WTMMQHZHEBLIQF-YNEHKIRRSA-N 2 2 260.378 -0.231 20 0 CBADLP COC[C@@H]1C[C@@H](O)C[N@H+]1C[C@H](O)C[NH+](C)C(C)C ZINC000660915630 419459137 /nfs/dbraw/zinc/45/91/37/419459137.db2.gz WTMMQHZHEBLIQF-YNEHKIRRSA-N 2 2 260.378 -0.231 20 0 CBADLP COC[C@@H]1C[C@@H](O)C[NH+]1C[C@H](O)C[N@H+](C)C(C)C ZINC000660915630 419459149 /nfs/dbraw/zinc/45/91/49/419459149.db2.gz WTMMQHZHEBLIQF-YNEHKIRRSA-N 2 2 260.378 -0.231 20 0 CBADLP COC[C@@H]1C[C@@H](O)C[NH+]1C[C@H](O)C[N@@H+](C)C(C)C ZINC000660915630 419459158 /nfs/dbraw/zinc/45/91/58/419459158.db2.gz WTMMQHZHEBLIQF-YNEHKIRRSA-N 2 2 260.378 -0.231 20 0 CBADLP O=C(CC[N@@H+]1CC[C@H](N2CCCC2)C1)N1CC[NH2+]CC1 ZINC000062980249 419465229 /nfs/dbraw/zinc/46/52/29/419465229.db2.gz XYIBZFGQKNOUDT-AWEZNQCLSA-N 2 2 280.416 -0.022 20 0 CBADLP O=C(CC[N@H+]1CC[C@H](N2CCCC2)C1)N1CC[NH2+]CC1 ZINC000062980249 419465233 /nfs/dbraw/zinc/46/52/33/419465233.db2.gz XYIBZFGQKNOUDT-AWEZNQCLSA-N 2 2 280.416 -0.022 20 0 CBADLP CC(C)[NH+]1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000076649382 419468127 /nfs/dbraw/zinc/46/81/27/419468127.db2.gz CBNITAJUDULQBP-UHFFFAOYSA-N 2 2 290.433 -0.495 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)CN(C)Cc1c[nH+]c[nH]1 ZINC000661091563 419470030 /nfs/dbraw/zinc/47/00/30/419470030.db2.gz ZRJDGTMJAAAUFG-GFCCVEGCSA-N 2 2 256.350 -0.219 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)CN(C)Cc1c[nH+]c[nH]1 ZINC000661091563 419470035 /nfs/dbraw/zinc/47/00/35/419470035.db2.gz ZRJDGTMJAAAUFG-GFCCVEGCSA-N 2 2 256.350 -0.219 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)CN(C)Cc1c[nH]c[nH+]1 ZINC000661091563 419470041 /nfs/dbraw/zinc/47/00/41/419470041.db2.gz ZRJDGTMJAAAUFG-GFCCVEGCSA-N 2 2 256.350 -0.219 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)CN(C)Cc1c[nH]c[nH+]1 ZINC000661091563 419470051 /nfs/dbraw/zinc/47/00/51/419470051.db2.gz ZRJDGTMJAAAUFG-GFCCVEGCSA-N 2 2 256.350 -0.219 20 0 CBADLP Cc1nc(N[C@H](C)[C@H]2C[N@H+](C)CCO2)nc(N)[nH+]1 ZINC000631170665 419470191 /nfs/dbraw/zinc/47/01/91/419470191.db2.gz BRDMIUWKGNCNGG-VXNVDRBHSA-N 2 2 252.322 -0.685 20 0 CBADLP Cc1nc(N[C@H](C)[C@H]2C[N@@H+](C)CCO2)nc(N)[nH+]1 ZINC000631170665 419470202 /nfs/dbraw/zinc/47/02/02/419470202.db2.gz BRDMIUWKGNCNGG-VXNVDRBHSA-N 2 2 252.322 -0.685 20 0 CBADLP Cc1nc(N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)nc(N)[nH+]1 ZINC000631119183 419473047 /nfs/dbraw/zinc/47/30/47/419473047.db2.gz LNRUYSSCBJTRMG-LBPRGKRZSA-N 2 2 291.403 -0.022 20 0 CBADLP Cc1nc(N2CCN([C@H]3CCC[N@H+](C)C3)CC2)nc(N)[nH+]1 ZINC000631119183 419473059 /nfs/dbraw/zinc/47/30/59/419473059.db2.gz LNRUYSSCBJTRMG-LBPRGKRZSA-N 2 2 291.403 -0.022 20 0 CBADLP Cc1nc(N2CC[NH+]([C@H]3CCOC3)CC2)nc(N)[nH+]1 ZINC000631170709 419475742 /nfs/dbraw/zinc/47/57/42/419475742.db2.gz COMFLQMBWHTZQR-JTQLQIEISA-N 2 2 264.333 -0.327 20 0 CBADLP Cn1cc(C[N@H+](C)CCC(=O)N2CC[NH+](C)CC2)nn1 ZINC000661744684 419525178 /nfs/dbraw/zinc/52/51/78/419525178.db2.gz MBLKXIAQQVENKQ-UHFFFAOYSA-N 2 2 280.376 -0.589 20 0 CBADLP Cn1cc(C[N@@H+](C)CCC(=O)N2CC[NH+](C)CC2)nn1 ZINC000661744684 419525180 /nfs/dbraw/zinc/52/51/80/419525180.db2.gz MBLKXIAQQVENKQ-UHFFFAOYSA-N 2 2 280.376 -0.589 20 0 CBADLP CN1CC[N@H+](C[C@H](O)C[NH+](C)C2CC2)CCC1=O ZINC000661805393 419525863 /nfs/dbraw/zinc/52/58/63/419525863.db2.gz HXBOETWXNZDZSR-GFCCVEGCSA-N 2 2 255.362 -0.394 20 0 CBADLP CN1CC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)CCC1=O ZINC000661805393 419525869 /nfs/dbraw/zinc/52/58/69/419525869.db2.gz HXBOETWXNZDZSR-GFCCVEGCSA-N 2 2 255.362 -0.394 20 0 CBADLP CN1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)CCC1=O ZINC000661805393 419525875 /nfs/dbraw/zinc/52/58/75/419525875.db2.gz HXBOETWXNZDZSR-GFCCVEGCSA-N 2 2 255.362 -0.394 20 0 CBADLP CN1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)CCC1=O ZINC000661805393 419525881 /nfs/dbraw/zinc/52/58/81/419525881.db2.gz HXBOETWXNZDZSR-GFCCVEGCSA-N 2 2 255.362 -0.394 20 0 CBADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC(=O)N(C)CC1 ZINC000661805974 419526961 /nfs/dbraw/zinc/52/69/61/419526961.db2.gz VNPGQQZLXSMYLS-LBPRGKRZSA-N 2 2 257.378 -0.148 20 0 CBADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC(=O)N(C)CC1 ZINC000661805974 419526965 /nfs/dbraw/zinc/52/69/65/419526965.db2.gz VNPGQQZLXSMYLS-LBPRGKRZSA-N 2 2 257.378 -0.148 20 0 CBADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC(=O)N(C)CC1 ZINC000661805974 419526975 /nfs/dbraw/zinc/52/69/75/419526975.db2.gz VNPGQQZLXSMYLS-LBPRGKRZSA-N 2 2 257.378 -0.148 20 0 CBADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC(=O)N(C)CC1 ZINC000661805974 419526982 /nfs/dbraw/zinc/52/69/82/419526982.db2.gz VNPGQQZLXSMYLS-LBPRGKRZSA-N 2 2 257.378 -0.148 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCC(=O)N(C)CC2)CC1 ZINC000661808400 419528405 /nfs/dbraw/zinc/52/84/05/419528405.db2.gz HWQMFOVCCMOARZ-CYBMUJFWSA-N 2 2 296.415 -0.297 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC(=O)N(C)CC2)CC1 ZINC000661808400 419528411 /nfs/dbraw/zinc/52/84/11/419528411.db2.gz HWQMFOVCCMOARZ-CYBMUJFWSA-N 2 2 296.415 -0.297 20 0 CBADLP C([C@H]1CCC[N@@H+]1C[C@H]1C[NH2+]CCO1)N1CCOCC1 ZINC000662261456 419568284 /nfs/dbraw/zinc/56/82/84/419568284.db2.gz YYOYBGQCNSDNPZ-ZIAGYGMSSA-N 2 2 269.389 -0.229 20 0 CBADLP C([C@H]1CCC[N@H+]1C[C@H]1C[NH2+]CCO1)N1CCOCC1 ZINC000662261456 419568287 /nfs/dbraw/zinc/56/82/87/419568287.db2.gz YYOYBGQCNSDNPZ-ZIAGYGMSSA-N 2 2 269.389 -0.229 20 0 CBADLP C([C@H]1CCCN1C[C@H]1C[NH2+]CCO1)[NH+]1CCOCC1 ZINC000662261456 419568292 /nfs/dbraw/zinc/56/82/92/419568292.db2.gz YYOYBGQCNSDNPZ-ZIAGYGMSSA-N 2 2 269.389 -0.229 20 0 CBADLP CCNC(=O)C[N@H+](CC)[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000193586738 419547931 /nfs/dbraw/zinc/54/79/31/419547931.db2.gz GULSGCKUPAFQTF-CYBMUJFWSA-N 2 2 298.431 -0.003 20 0 CBADLP CCNC(=O)C[N@@H+](CC)[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000193586738 419547940 /nfs/dbraw/zinc/54/79/40/419547940.db2.gz GULSGCKUPAFQTF-CYBMUJFWSA-N 2 2 298.431 -0.003 20 0 CBADLP CC[C@@H](C(N)=O)[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662154286 419548986 /nfs/dbraw/zinc/54/89/86/419548986.db2.gz GPAAKERZMQLRQH-RYUDHWBXSA-N 2 2 255.362 -0.219 20 0 CBADLP CC[C@@H](C(N)=O)[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662154286 419548991 /nfs/dbraw/zinc/54/89/91/419548991.db2.gz GPAAKERZMQLRQH-RYUDHWBXSA-N 2 2 255.362 -0.219 20 0 CBADLP CCOC[C@H](O)C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662157736 419551883 /nfs/dbraw/zinc/55/18/83/419551883.db2.gz PWLJLTVAALGQGM-ZIAGYGMSSA-N 2 2 272.389 -0.085 20 0 CBADLP CCOC[C@H](O)C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662157736 419551894 /nfs/dbraw/zinc/55/18/94/419551894.db2.gz PWLJLTVAALGQGM-ZIAGYGMSSA-N 2 2 272.389 -0.085 20 0 CBADLP C[C@@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)C[C@@]1(C)CO ZINC000662135268 419551924 /nfs/dbraw/zinc/55/19/24/419551924.db2.gz KVOAGGMCYBSSFD-OCCSQVGLSA-N 2 2 269.389 -0.289 20 0 CBADLP C[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)C[C@@]1(C)CO ZINC000662135268 419551931 /nfs/dbraw/zinc/55/19/31/419551931.db2.gz KVOAGGMCYBSSFD-OCCSQVGLSA-N 2 2 269.389 -0.289 20 0 CBADLP CN(C)c1noc(C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)n1 ZINC000662244419 419558028 /nfs/dbraw/zinc/55/80/28/419558028.db2.gz QAOAGKBHLFWBFJ-SNVBAGLBSA-N 2 2 296.375 -0.578 20 0 CBADLP CN(C)c1noc(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)n1 ZINC000662244419 419558032 /nfs/dbraw/zinc/55/80/32/419558032.db2.gz QAOAGKBHLFWBFJ-SNVBAGLBSA-N 2 2 296.375 -0.578 20 0 CBADLP CS(=O)(=O)NC[C@@H]1CCC[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662250292 419562663 /nfs/dbraw/zinc/56/26/63/419562663.db2.gz DIRRXVHIVVKZDM-NWDGAFQWSA-N 2 2 291.417 -0.764 20 0 CBADLP CS(=O)(=O)NC[C@@H]1CCC[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662250292 419562664 /nfs/dbraw/zinc/56/26/64/419562664.db2.gz DIRRXVHIVVKZDM-NWDGAFQWSA-N 2 2 291.417 -0.764 20 0 CBADLP CC(=O)NC[C@@H]1C[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000662254079 419563649 /nfs/dbraw/zinc/56/36/49/419563649.db2.gz FDLQGWOYTWXTHF-CHWSQXEVSA-N 2 2 283.372 -0.656 20 0 CBADLP CC(=O)NC[C@@H]1C[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000662254079 419563656 /nfs/dbraw/zinc/56/36/56/419563656.db2.gz FDLQGWOYTWXTHF-CHWSQXEVSA-N 2 2 283.372 -0.656 20 0 CBADLP CCNC(=O)N1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662248403 419564526 /nfs/dbraw/zinc/56/45/26/419564526.db2.gz AOPZVYWUNQNSBX-LBPRGKRZSA-N 2 2 282.388 -0.146 20 0 CBADLP C[C@@H]1CN(C[C@H]2C[NH2+]CCO2)C[C@H]1[NH+]1CCOCC1 ZINC000662266254 419565222 /nfs/dbraw/zinc/56/52/22/419565222.db2.gz ZSDAWMFBCYNCKL-MGPQQGTHSA-N 2 2 269.389 -0.373 20 0 CBADLP C[C@@H]1C[N@H+](C[C@H]2C[NH2+]CCO2)C[C@H]1N1CCOCC1 ZINC000662266254 419565229 /nfs/dbraw/zinc/56/52/29/419565229.db2.gz ZSDAWMFBCYNCKL-MGPQQGTHSA-N 2 2 269.389 -0.373 20 0 CBADLP C[C@@H]1C[N@@H+](C[C@H]2C[NH2+]CCO2)C[C@H]1N1CCOCC1 ZINC000662266254 419565237 /nfs/dbraw/zinc/56/52/37/419565237.db2.gz ZSDAWMFBCYNCKL-MGPQQGTHSA-N 2 2 269.389 -0.373 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000661596649 419501859 /nfs/dbraw/zinc/50/18/59/419501859.db2.gz KALCVFJHBSTBPT-IHRRRGAJSA-N 2 2 299.415 -0.474 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000661596649 419501865 /nfs/dbraw/zinc/50/18/65/419501865.db2.gz KALCVFJHBSTBPT-IHRRRGAJSA-N 2 2 299.415 -0.474 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000661596649 419501870 /nfs/dbraw/zinc/50/18/70/419501870.db2.gz KALCVFJHBSTBPT-IHRRRGAJSA-N 2 2 299.415 -0.474 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000661596649 419501875 /nfs/dbraw/zinc/50/18/75/419501875.db2.gz KALCVFJHBSTBPT-IHRRRGAJSA-N 2 2 299.415 -0.474 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC(O)(CO)CC2)CC1 ZINC000661617960 419507195 /nfs/dbraw/zinc/50/71/95/419507195.db2.gz PXDRAIZEOXMJJX-CYBMUJFWSA-N 2 2 299.415 -0.642 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)C(O)[C@H](C)C1 ZINC000661620184 419510114 /nfs/dbraw/zinc/51/01/14/419510114.db2.gz HUPFQZJWLSNZKV-UPJWGTAASA-N 2 2 274.405 -0.126 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)C(O)[C@H](C)C1 ZINC000661620184 419510122 /nfs/dbraw/zinc/51/01/22/419510122.db2.gz HUPFQZJWLSNZKV-UPJWGTAASA-N 2 2 274.405 -0.126 20 0 CBADLP CN1C(=O)N[C@@H]2C[N@@H+](C[C@H](O)C[NH+](C)C3CC3)CC[C@@H]21 ZINC000329773178 419641100 /nfs/dbraw/zinc/64/11/00/419641100.db2.gz HYEADHZWBJOWDK-UPJWGTAASA-N 2 2 282.388 -0.256 20 0 CBADLP CN1C(=O)N[C@@H]2C[N@H+](C[C@H](O)C[NH+](C)C3CC3)CC[C@@H]21 ZINC000329773178 419641107 /nfs/dbraw/zinc/64/11/07/419641107.db2.gz HYEADHZWBJOWDK-UPJWGTAASA-N 2 2 282.388 -0.256 20 0 CBADLP CN1C(=O)N[C@@H]2C[NH+](C[C@H](O)C[N@H+](C)C3CC3)CC[C@@H]21 ZINC000329773178 419641116 /nfs/dbraw/zinc/64/11/16/419641116.db2.gz HYEADHZWBJOWDK-UPJWGTAASA-N 2 2 282.388 -0.256 20 0 CBADLP CN1C(=O)N[C@@H]2C[NH+](C[C@H](O)C[N@@H+](C)C3CC3)CC[C@@H]21 ZINC000329773178 419641124 /nfs/dbraw/zinc/64/11/24/419641124.db2.gz HYEADHZWBJOWDK-UPJWGTAASA-N 2 2 282.388 -0.256 20 0 CBADLP O=C(C[NH2+]C1(CO)CC[NH2+]CC1)NC1CCCC1 ZINC000662285769 419573153 /nfs/dbraw/zinc/57/31/53/419573153.db2.gz HKYIHTKONRQOND-UHFFFAOYSA-N 2 2 255.362 -0.251 20 0 CBADLP C[N@H+](CCc1nnn(C(C)(C)C)n1)C[C@@H](O)C[NH3+] ZINC000662277889 419573424 /nfs/dbraw/zinc/57/34/24/419573424.db2.gz SUIOFLPYYWZNTR-VIFPVBQESA-N 2 2 256.354 -0.778 20 0 CBADLP C[N@@H+](CCc1nnn(C(C)(C)C)n1)C[C@@H](O)C[NH3+] ZINC000662277889 419573431 /nfs/dbraw/zinc/57/34/31/419573431.db2.gz SUIOFLPYYWZNTR-VIFPVBQESA-N 2 2 256.354 -0.778 20 0 CBADLP CC[C@H](C)NC(=O)C[NH+]1CCN(C[C@@H]2C[NH2+]CCO2)CC1 ZINC000662276635 419573984 /nfs/dbraw/zinc/57/39/84/419573984.db2.gz KRDBXFJEDPJFCF-KBPBESRZSA-N 2 2 298.431 -0.493 20 0 CBADLP c1ncn(CC2CC[NH+](C[C@H]3C[NH2+]CCO3)CC2)n1 ZINC000662278991 419574191 /nfs/dbraw/zinc/57/41/91/419574191.db2.gz DLYXYGCJFWQTBE-CYBMUJFWSA-N 2 2 265.361 -0.022 20 0 CBADLP Cc1nc(N2CCN(C[C@H]3C[NH2+]CCO3)CC2)cc[nH+]1 ZINC000662279570 419574953 /nfs/dbraw/zinc/57/49/53/419574953.db2.gz VRMKZGWJTCSCSJ-CYBMUJFWSA-N 2 2 277.372 -0.105 20 0 CBADLP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)CN2CC[NH2+]CC2=O)C1 ZINC000237183091 419576562 /nfs/dbraw/zinc/57/65/62/419576562.db2.gz CYIYKWAZNLJQSE-VXGBXAGGSA-N 2 2 282.388 -0.593 20 0 CBADLP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)CN1CC[NH2+]CC1=O ZINC000237078291 419577380 /nfs/dbraw/zinc/57/73/80/419577380.db2.gz ILXOCWVRLNHWDG-ZDUSSCGKSA-N 2 2 296.415 -0.249 20 0 CBADLP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)CN1CC[NH2+]CC1=O ZINC000237078291 419577385 /nfs/dbraw/zinc/57/73/85/419577385.db2.gz ILXOCWVRLNHWDG-ZDUSSCGKSA-N 2 2 296.415 -0.249 20 0 CBADLP [NH3+]CC[N@H+](CCC(=O)Nc1ccccc1)C[C@@H](O)CO ZINC000662287517 419578471 /nfs/dbraw/zinc/57/84/71/419578471.db2.gz BNZXTWVBSNMIHO-CYBMUJFWSA-N 2 2 281.356 -0.371 20 0 CBADLP [NH3+]CC[N@@H+](CCC(=O)Nc1ccccc1)C[C@@H](O)CO ZINC000662287517 419578478 /nfs/dbraw/zinc/57/84/78/419578478.db2.gz BNZXTWVBSNMIHO-CYBMUJFWSA-N 2 2 281.356 -0.371 20 0 CBADLP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)CN2CC[NH2+]CC2=O)C1 ZINC000237046247 419579081 /nfs/dbraw/zinc/57/90/81/419579081.db2.gz CYIYKWAZNLJQSE-NEPJUHHUSA-N 2 2 282.388 -0.593 20 0 CBADLP C[C@@H](NC(=O)[C@H]1CSC[NH2+]1)[C@@H](C)[NH+]1CCOCC1 ZINC000237444437 419580913 /nfs/dbraw/zinc/58/09/13/419580913.db2.gz JMWFWENXBFOGLJ-GMTAPVOTSA-N 2 2 273.402 -0.126 20 0 CBADLP [NH3+]CC[N@H+](CCC(=O)NC1CCCC1)C[C@@H](O)CO ZINC000662289652 419581295 /nfs/dbraw/zinc/58/12/95/419581295.db2.gz UWSTWEHLZJTIQR-GFCCVEGCSA-N 2 2 273.377 -0.951 20 0 CBADLP [NH3+]CC[N@@H+](CCC(=O)NC1CCCC1)C[C@@H](O)CO ZINC000662289652 419581302 /nfs/dbraw/zinc/58/13/02/419581302.db2.gz UWSTWEHLZJTIQR-GFCCVEGCSA-N 2 2 273.377 -0.951 20 0 CBADLP C[C@@H](CNC(=O)CN1CC[NH2+]CC1=O)[N@H+](C)C1CC1 ZINC000237544245 419582177 /nfs/dbraw/zinc/58/21/77/419582177.db2.gz ZNYVYDCTFXASPA-JTQLQIEISA-N 2 2 268.361 -0.983 20 0 CBADLP C[C@@H](CNC(=O)CN1CC[NH2+]CC1=O)[N@@H+](C)C1CC1 ZINC000237544245 419582183 /nfs/dbraw/zinc/58/21/83/419582183.db2.gz ZNYVYDCTFXASPA-JTQLQIEISA-N 2 2 268.361 -0.983 20 0 CBADLP O=C1CCCN1C[C@@H]1CC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662314670 419583065 /nfs/dbraw/zinc/58/30/65/419583065.db2.gz AKKUGERSSBVXKS-OLZOCXBDSA-N 2 2 267.373 -0.081 20 0 CBADLP O=C1CCCN1C[C@@H]1CC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662314670 419583067 /nfs/dbraw/zinc/58/30/67/419583067.db2.gz AKKUGERSSBVXKS-OLZOCXBDSA-N 2 2 267.373 -0.081 20 0 CBADLP O=C1CCCN1C[C@H]1CC[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662314671 419583563 /nfs/dbraw/zinc/58/35/63/419583563.db2.gz AKKUGERSSBVXKS-QWHCGFSZSA-N 2 2 267.373 -0.081 20 0 CBADLP O=C1CCCN1C[C@H]1CC[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662314671 419583572 /nfs/dbraw/zinc/58/35/72/419583572.db2.gz AKKUGERSSBVXKS-QWHCGFSZSA-N 2 2 267.373 -0.081 20 0 CBADLP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)CN1CC[NH2+]CC1=O ZINC000237914347 419587739 /nfs/dbraw/zinc/58/77/39/419587739.db2.gz SESDUTRIGGCUPI-WDEREUQCSA-N 2 2 268.361 -0.948 20 0 CBADLP CC(C)OC[C@H]([NH3+])C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000662387926 419593014 /nfs/dbraw/zinc/59/30/14/419593014.db2.gz NFRCDEQKPKRKDM-NEPJUHHUSA-N 2 2 273.377 -0.424 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](CO)C[C@H](C)C1 ZINC000398759920 544583332 /nfs/dbraw/zinc/58/33/32/544583332.db2.gz IBYYZVXMKSZIHF-MJBXVCDLSA-N 2 2 274.405 -0.124 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](CO)C[C@H](C)C1 ZINC000398759920 544583336 /nfs/dbraw/zinc/58/33/36/544583336.db2.gz IBYYZVXMKSZIHF-MJBXVCDLSA-N 2 2 274.405 -0.124 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](CO)C[C@H](C)C1 ZINC000398759920 544583340 /nfs/dbraw/zinc/58/33/40/544583340.db2.gz IBYYZVXMKSZIHF-MJBXVCDLSA-N 2 2 274.405 -0.124 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](CO)C[C@H](C)C1 ZINC000398759920 544583343 /nfs/dbraw/zinc/58/33/43/544583343.db2.gz IBYYZVXMKSZIHF-MJBXVCDLSA-N 2 2 274.405 -0.124 20 0 CBADLP CN(C)S(=O)(=O)N1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000647513675 419598539 /nfs/dbraw/zinc/59/85/39/419598539.db2.gz XPXRMBBGGXIGBX-GFCCVEGCSA-N 2 2 290.433 -0.590 20 0 CBADLP C[N@@H+]1CCN(C(=O)Cc2cscn2)[C@H](C[NH3+])C1 ZINC000662430404 419601550 /nfs/dbraw/zinc/60/15/50/419601550.db2.gz WGLDOCDPDNEQQX-SNVBAGLBSA-N 2 2 254.359 -0.213 20 0 CBADLP C[N@H+]1CCN(C(=O)Cc2cscn2)[C@H](C[NH3+])C1 ZINC000662430404 419601560 /nfs/dbraw/zinc/60/15/60/419601560.db2.gz WGLDOCDPDNEQQX-SNVBAGLBSA-N 2 2 254.359 -0.213 20 0 CBADLP C[C@H]([C@H](C)NC(=O)c1cn(CC[NH3+])nn1)[NH+]1CCOCC1 ZINC000662446540 419606953 /nfs/dbraw/zinc/60/69/53/419606953.db2.gz GGOMWIQXFGEKMO-WDEREUQCSA-N 2 2 296.375 -0.924 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000662440384 419607098 /nfs/dbraw/zinc/60/70/98/419607098.db2.gz ZJUMIMCZVAWSOP-NEPJUHHUSA-N 2 2 255.362 -0.096 20 0 CBADLP CO[C@]1(CO)CCC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000401706109 544585127 /nfs/dbraw/zinc/58/51/27/544585127.db2.gz DRAYDUWQJRNSEG-ZIAGYGMSSA-N 2 2 272.389 -0.085 20 0 CBADLP CO[C@]1(CO)CCC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000401706109 544585130 /nfs/dbraw/zinc/58/51/30/544585130.db2.gz DRAYDUWQJRNSEG-ZIAGYGMSSA-N 2 2 272.389 -0.085 20 0 CBADLP CO[C@]1(CO)CCC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000401706109 544585131 /nfs/dbraw/zinc/58/51/31/544585131.db2.gz DRAYDUWQJRNSEG-ZIAGYGMSSA-N 2 2 272.389 -0.085 20 0 CBADLP CO[C@]1(CO)CCC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000401706109 544585132 /nfs/dbraw/zinc/58/51/32/544585132.db2.gz DRAYDUWQJRNSEG-ZIAGYGMSSA-N 2 2 272.389 -0.085 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000311177375 419619264 /nfs/dbraw/zinc/61/92/64/419619264.db2.gz WTVUJEPCHIKXAI-AVGNSLFASA-N 3 2 257.378 -0.923 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000311177375 419619273 /nfs/dbraw/zinc/61/92/73/419619273.db2.gz WTVUJEPCHIKXAI-AVGNSLFASA-N 3 2 257.378 -0.923 20 0 CBADLP C[N@H+](C[C@H](O)C[NH2+]CC(C)(C)S(C)(=O)=O)C1CC1 ZINC000310849864 419619345 /nfs/dbraw/zinc/61/93/45/419619345.db2.gz IWNLURYBZRXDRD-LLVKDONJSA-N 2 2 278.418 -0.146 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH2+]CC(C)(C)S(C)(=O)=O)C1CC1 ZINC000310849864 419619349 /nfs/dbraw/zinc/61/93/49/419619349.db2.gz IWNLURYBZRXDRD-LLVKDONJSA-N 2 2 278.418 -0.146 20 0 CBADLP COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1CCCc1c[nH+]cn1C ZINC000314321181 419625285 /nfs/dbraw/zinc/62/52/85/419625285.db2.gz HPVYDDFLXXIFQK-RYUDHWBXSA-N 2 2 267.329 -0.039 20 0 CBADLP COC(=O)[C@@H]1C[C@H](O)C[N@H+]1CCCc1c[nH+]cn1C ZINC000314321181 419625292 /nfs/dbraw/zinc/62/52/92/419625292.db2.gz HPVYDDFLXXIFQK-RYUDHWBXSA-N 2 2 267.329 -0.039 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)C[C@H]2C[NH2+]CCO2)[C@@H](C)CO1 ZINC000662632142 419660941 /nfs/dbraw/zinc/66/09/41/419660941.db2.gz XXVCQKINDSIYRJ-XQQFMLRXSA-N 2 2 285.388 -0.410 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)C[C@H]2C[NH2+]CCO2)[C@@H](C)CO1 ZINC000662632142 419660947 /nfs/dbraw/zinc/66/09/47/419660947.db2.gz XXVCQKINDSIYRJ-XQQFMLRXSA-N 2 2 285.388 -0.410 20 0 CBADLP C[N@H+](CCN1CC[NH2+]CC1)Cc1nc(C(C)(C)[NH3+])no1 ZINC000647834748 419664710 /nfs/dbraw/zinc/66/47/10/419664710.db2.gz NFMBKOOCLKRQQS-UHFFFAOYSA-N 3 2 282.392 -0.400 20 0 CBADLP C[N@@H+](CCN1CC[NH2+]CC1)Cc1nc(C(C)(C)[NH3+])no1 ZINC000647834748 419664716 /nfs/dbraw/zinc/66/47/16/419664716.db2.gz NFMBKOOCLKRQQS-UHFFFAOYSA-N 3 2 282.392 -0.400 20 0 CBADLP [NH3+]CC(F)(F)CC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000662656179 419668748 /nfs/dbraw/zinc/66/87/48/419668748.db2.gz NAIRQLNVNANITC-SNVBAGLBSA-N 2 2 277.315 -0.096 20 0 CBADLP O=C(N1CCN(c2cccc[nH+]2)CC1)C1(O)C[NH2+]C1 ZINC000662658893 419669528 /nfs/dbraw/zinc/66/95/28/419669528.db2.gz LPJGAULLJYOMTK-UHFFFAOYSA-N 2 2 262.313 -0.936 20 0 CBADLP CC1(C)CC[NH2+][C@@H]1C(=O)NCC[NH+]1CCOCC1 ZINC000662659304 419672322 /nfs/dbraw/zinc/67/23/22/419672322.db2.gz RJZNIZIZXVZQGO-LLVKDONJSA-N 2 2 255.362 -0.177 20 0 CBADLP Cc1ccccc1C[NH+]1CCN(C(=O)C2(O)C[NH2+]C2)CC1 ZINC000662663150 419672924 /nfs/dbraw/zinc/67/29/24/419672924.db2.gz FQDZMNFCKGMJJD-UHFFFAOYSA-N 2 2 289.379 -0.026 20 0 CBADLP CC(C)(CNC(=O)[C@H]1C[C@H]([NH3+])C1)[NH+]1CCOCC1 ZINC000662663320 419673689 /nfs/dbraw/zinc/67/36/89/419673689.db2.gz ZFIRNAAWYIXGQY-XYPYZODXSA-N 2 2 255.362 -0.049 20 0 CBADLP Cc1cc(CO)cc(NC[C@H]2C[N@@H+](C)CCN2C)[nH+]1 ZINC000647868449 419677171 /nfs/dbraw/zinc/67/71/71/419677171.db2.gz WBDUHWBVYPAVFZ-ZDUSSCGKSA-N 2 2 264.373 0.540 20 0 CBADLP Cc1cc(CO)cc(NC[C@H]2C[N@H+](C)CCN2C)[nH+]1 ZINC000647868449 419677177 /nfs/dbraw/zinc/67/71/77/419677177.db2.gz WBDUHWBVYPAVFZ-ZDUSSCGKSA-N 2 2 264.373 0.540 20 0 CBADLP O=C(NCCc1cn2ccccc2[nH+]1)C1(O)C[NH2+]C1 ZINC000662670856 419677674 /nfs/dbraw/zinc/67/76/74/419677674.db2.gz JDBZIUBSCSIKRN-UHFFFAOYSA-N 2 2 260.297 -0.673 20 0 CBADLP C[N@H+]1CCN(C(=O)Cc2cnn3ccccc23)[C@@H](C[NH3+])C1 ZINC000647874432 419678790 /nfs/dbraw/zinc/67/87/90/419678790.db2.gz VWXIKASNUHASSO-ZDUSSCGKSA-N 2 2 287.367 -0.022 20 0 CBADLP C[N@H+]1CCN(C(=O)[C@@H]2CCCc3n[nH]cc32)[C@@H](C[NH3+])C1 ZINC000647873516 419679320 /nfs/dbraw/zinc/67/93/20/419679320.db2.gz UYDHXLGDBPGIJB-WDEREUQCSA-N 2 2 277.372 -0.069 20 0 CBADLP C[N@H+]1CCN(C(=O)[C@@H]2C[NH2+]CCC2(F)F)[C@@H](C[NH3+])C1 ZINC000647874209 419679697 /nfs/dbraw/zinc/67/96/97/419679697.db2.gz IMHAKJVDTTXVLD-UWVGGRQHSA-N 3 2 276.331 -0.668 20 0 CBADLP CN(C)S(=O)(=O)N1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000647874706 419680053 /nfs/dbraw/zinc/68/00/53/419680053.db2.gz NWHAFGMKEQTJSX-LLVKDONJSA-N 2 2 276.406 -0.980 20 0 CBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000336826822 419680401 /nfs/dbraw/zinc/68/04/01/419680401.db2.gz WLSZTUCZYUZGPG-HUUCEWRRSA-N 2 2 283.416 -0.152 20 0 CBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000336826822 419680409 /nfs/dbraw/zinc/68/04/09/419680409.db2.gz WLSZTUCZYUZGPG-HUUCEWRRSA-N 2 2 283.416 -0.152 20 0 CBADLP Cn1nc(C2CC2)nc1CC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000647874449 419681123 /nfs/dbraw/zinc/68/11/23/419681123.db2.gz WSAIWHBLMZQWNV-NSHDSACASA-N 2 2 292.387 -0.664 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000662685323 419681855 /nfs/dbraw/zinc/68/18/55/419681855.db2.gz BJILDSSKHISYIQ-OUAUKWLOSA-N 2 2 252.318 -0.248 20 0 CBADLP CCNC(=O)CCC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000647873406 419682129 /nfs/dbraw/zinc/68/21/29/419682129.db2.gz GGBMEBORNJUAOL-JTQLQIEISA-N 2 2 256.350 -0.996 20 0 CBADLP O=C(NC1CCN(c2cccc[nH+]2)CC1)C1(O)C[NH2+]C1 ZINC000662682763 419682190 /nfs/dbraw/zinc/68/21/90/419682190.db2.gz UKFBWEAQTGSPBN-UHFFFAOYSA-N 2 2 276.340 -0.499 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1C[C@H]2COC[C@]2(C)C1 ZINC000662692326 419684590 /nfs/dbraw/zinc/68/45/90/419684590.db2.gz WGNYWOYDGSXECG-GVXVVHGQSA-N 2 2 255.362 -0.240 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CCC[C@@H]2[NH3+])CCO1 ZINC000662699539 419689859 /nfs/dbraw/zinc/68/98/59/419689859.db2.gz BQOHXFQIZRXXHV-UTUOFQBUSA-N 2 2 255.362 -0.049 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2CCC[C@@H]2[NH3+])CCO1 ZINC000662699539 419689868 /nfs/dbraw/zinc/68/98/68/419689868.db2.gz BQOHXFQIZRXXHV-UTUOFQBUSA-N 2 2 255.362 -0.049 20 0 CBADLP CC[C@@H]1C[N@H+](CC(=O)N2CCNC(=O)C2)CC[C@H]1[NH3+] ZINC000647937926 419689873 /nfs/dbraw/zinc/68/98/73/419689873.db2.gz FDBHQPFFUCGETE-GHMZBOCLSA-N 2 2 268.361 -0.996 20 0 CBADLP CC[C@@H]1C[N@@H+](CC(=O)N2CCNC(=O)C2)CC[C@H]1[NH3+] ZINC000647937926 419689885 /nfs/dbraw/zinc/68/98/85/419689885.db2.gz FDBHQPFFUCGETE-GHMZBOCLSA-N 2 2 268.361 -0.996 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]2CCO[C@@H]2C[NH3+])CCO1 ZINC000662701183 419691297 /nfs/dbraw/zinc/69/12/97/419691297.db2.gz MRMJRXVPGGMJGH-GRYCIOLGSA-N 2 2 271.361 -0.813 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2CCO[C@@H]2C[NH3+])CCO1 ZINC000662701183 419691303 /nfs/dbraw/zinc/69/13/03/419691303.db2.gz MRMJRXVPGGMJGH-GRYCIOLGSA-N 2 2 271.361 -0.813 20 0 CBADLP C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[NH+]1CCC(C)([NH3+])CC1 ZINC000647925407 419694382 /nfs/dbraw/zinc/69/43/82/419694382.db2.gz HPTHIULGQJWCAP-NWDGAFQWSA-N 2 2 296.415 -0.088 20 0 CBADLP CO[C@H](C[NH3+])CC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000662704204 419695677 /nfs/dbraw/zinc/69/56/77/419695677.db2.gz WIJCNFKYEUFCPO-AWEZNQCLSA-N 2 2 299.415 -0.079 20 0 CBADLP C[NH2+]CC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000662703574 419695960 /nfs/dbraw/zinc/69/59/60/419695960.db2.gz LXDSDKICWMGQOG-UHFFFAOYSA-N 2 2 255.362 -0.223 20 0 CBADLP Cn1c(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc(=O)n(C)c1=O ZINC000647957110 419699508 /nfs/dbraw/zinc/69/95/08/419699508.db2.gz RSEWHISJSNCCBF-HNNXBMFYSA-N 2 2 292.383 -0.341 20 0 CBADLP Cn1c(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc(=O)n(C)c1=O ZINC000647957110 419699525 /nfs/dbraw/zinc/69/95/25/419699525.db2.gz RSEWHISJSNCCBF-HNNXBMFYSA-N 2 2 292.383 -0.341 20 0 CBADLP O=C(N1CC[NH+](Cc2ccccn2)CC1)C1(O)C[NH2+]C1 ZINC000662754380 419712246 /nfs/dbraw/zinc/71/22/46/419712246.db2.gz LXBIMSSJEWPDDO-UHFFFAOYSA-N 2 2 276.340 -0.940 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000647807210 419656433 /nfs/dbraw/zinc/65/64/33/419656433.db2.gz RYTSEWSPHKZSNO-CQSZACIVSA-N 2 2 284.404 -0.314 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000647807210 419656440 /nfs/dbraw/zinc/65/64/40/419656440.db2.gz RYTSEWSPHKZSNO-CQSZACIVSA-N 2 2 284.404 -0.314 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000647793273 419657424 /nfs/dbraw/zinc/65/74/24/419657424.db2.gz RNWVBEVIXZJZLR-BFHYXJOUSA-N 3 2 280.416 -0.262 20 0 CBADLP CO[C@H](C[NH3+])CC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000662633076 419658032 /nfs/dbraw/zinc/65/80/32/419658032.db2.gz JEYSJHXEJGWXPE-UTUOFQBUSA-N 2 2 273.377 -0.424 20 0 CBADLP CO[C@H](C[NH3+])CC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000662633076 419658037 /nfs/dbraw/zinc/65/80/37/419658037.db2.gz JEYSJHXEJGWXPE-UTUOFQBUSA-N 2 2 273.377 -0.424 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)C2(C)C[NH2+]C2)[C@@H](C)CO1 ZINC000662634974 419659350 /nfs/dbraw/zinc/65/93/50/419659350.db2.gz SWXCJRZNCOVSIK-WDEREUQCSA-N 2 2 255.362 -0.179 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)C2(C)C[NH2+]C2)[C@@H](C)CO1 ZINC000662634974 419659358 /nfs/dbraw/zinc/65/93/58/419659358.db2.gz SWXCJRZNCOVSIK-WDEREUQCSA-N 2 2 255.362 -0.179 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)C[C@@H]2COCC[NH2+]2)[C@H](C)CO1 ZINC000662633750 419659385 /nfs/dbraw/zinc/65/93/85/419659385.db2.gz PCKCHSZLQGBPSW-JHJVBQTASA-N 2 2 285.388 -0.410 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)C[C@@H]2COCC[NH2+]2)[C@H](C)CO1 ZINC000662633750 419659391 /nfs/dbraw/zinc/65/93/91/419659391.db2.gz PCKCHSZLQGBPSW-JHJVBQTASA-N 2 2 285.388 -0.410 20 0 CBADLP C[NH2+][C@H]1CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000647809822 419659652 /nfs/dbraw/zinc/65/96/52/419659652.db2.gz XGYNAZDQRPNXGI-LBPRGKRZSA-N 3 2 254.378 -0.556 20 0 CBADLP C[NH2+][C@H]1CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000647809822 419659660 /nfs/dbraw/zinc/65/96/60/419659660.db2.gz XGYNAZDQRPNXGI-LBPRGKRZSA-N 3 2 254.378 -0.556 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)C2(C)C[NH2+]C2)[C@H](C)CO1 ZINC000662634933 419659994 /nfs/dbraw/zinc/65/99/94/419659994.db2.gz SWXCJRZNCOVSIK-GHMZBOCLSA-N 2 2 255.362 -0.179 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)C2(C)C[NH2+]C2)[C@H](C)CO1 ZINC000662634933 419659997 /nfs/dbraw/zinc/65/99/97/419659997.db2.gz SWXCJRZNCOVSIK-GHMZBOCLSA-N 2 2 255.362 -0.179 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@]23C[NH2+]C[C@H]2COC3)[C@H](C)CO1 ZINC000662633471 419660348 /nfs/dbraw/zinc/66/03/48/419660348.db2.gz LBOCCGLLMHHXQF-CXTNEJHOSA-N 2 2 297.399 -0.552 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@]23C[NH2+]C[C@H]2COC3)[C@H](C)CO1 ZINC000662633471 419660357 /nfs/dbraw/zinc/66/03/57/419660357.db2.gz LBOCCGLLMHHXQF-CXTNEJHOSA-N 2 2 297.399 -0.552 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000648106656 419731381 /nfs/dbraw/zinc/73/13/81/419731381.db2.gz JVFFVCXJKBAVGV-UHFFFAOYSA-N 2 2 289.339 -0.902 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000662857148 419753509 /nfs/dbraw/zinc/75/35/09/419753509.db2.gz GAKRHWMCFBQJFV-ITGUQSILSA-N 3 2 268.405 -0.549 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000662857148 419753514 /nfs/dbraw/zinc/75/35/14/419753514.db2.gz GAKRHWMCFBQJFV-ITGUQSILSA-N 3 2 268.405 -0.549 20 0 CBADLP CO[C@H]1C[NH2+][C@@H](C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)C1 ZINC000662857928 419753562 /nfs/dbraw/zinc/75/35/62/419753562.db2.gz CZBOYENYWRXEHM-UMSGYPCISA-N 2 2 285.388 -0.411 20 0 CBADLP CO[C@H]1C[NH2+][C@@H](C(=O)NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)C1 ZINC000662857928 419753569 /nfs/dbraw/zinc/75/35/69/419753569.db2.gz CZBOYENYWRXEHM-UMSGYPCISA-N 2 2 285.388 -0.411 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CCO[C@@H]2C[NH3+])[C@@H](C)CO1 ZINC000662861260 419755202 /nfs/dbraw/zinc/75/52/02/419755202.db2.gz ZEHQWTYHCGTFSJ-UMSGYPCISA-N 2 2 285.388 -0.424 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2CCO[C@@H]2C[NH3+])[C@@H](C)CO1 ZINC000662861260 419755214 /nfs/dbraw/zinc/75/52/14/419755214.db2.gz ZEHQWTYHCGTFSJ-UMSGYPCISA-N 2 2 285.388 -0.424 20 0 CBADLP CC[C@@H]1C(=O)N(CC)CCN1C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000662871566 419756869 /nfs/dbraw/zinc/75/68/69/419756869.db2.gz QEUQNYKFWVVIEZ-VXGBXAGGSA-N 2 2 284.404 -0.265 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)[C@H]2C[C@H]([NH3+])C2)[C@@H](C)CO1 ZINC000662860688 419757179 /nfs/dbraw/zinc/75/71/79/419757179.db2.gz UFZCYJYYTLRNBL-BJDJZHNGSA-N 2 2 255.362 -0.051 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)[C@H]2C[C@H]([NH3+])C2)[C@@H](C)CO1 ZINC000662860688 419757188 /nfs/dbraw/zinc/75/71/88/419757188.db2.gz UFZCYJYYTLRNBL-BJDJZHNGSA-N 2 2 255.362 -0.051 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CCO[C@H]2C[NH3+])[C@H](C)CO1 ZINC000662861259 419757787 /nfs/dbraw/zinc/75/77/87/419757787.db2.gz ZEHQWTYHCGTFSJ-LPWJVIDDSA-N 2 2 285.388 -0.424 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2CCO[C@H]2C[NH3+])[C@H](C)CO1 ZINC000662861259 419757799 /nfs/dbraw/zinc/75/77/99/419757799.db2.gz ZEHQWTYHCGTFSJ-LPWJVIDDSA-N 2 2 285.388 -0.424 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000648152353 419758240 /nfs/dbraw/zinc/75/82/40/419758240.db2.gz RKRFUUVQPSQSGG-UTUOFQBUSA-N 2 2 253.346 -0.473 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)N2C[C@@H](C)[NH+](CCO)[C@@H](C)C2)[N@H+](C)C1 ZINC000456239126 544595494 /nfs/dbraw/zinc/59/54/94/544595494.db2.gz JUKATIYDFDSUGU-CRWXNKLISA-N 2 2 299.415 -0.381 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)N2C[C@@H](C)[NH+](CCO)[C@@H](C)C2)[N@@H+](C)C1 ZINC000456239126 544595501 /nfs/dbraw/zinc/59/55/01/544595501.db2.gz JUKATIYDFDSUGU-CRWXNKLISA-N 2 2 299.415 -0.381 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)[NH+](C)C1 ZINC000456239126 544595504 /nfs/dbraw/zinc/59/55/04/544595504.db2.gz JUKATIYDFDSUGU-CRWXNKLISA-N 2 2 299.415 -0.381 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)[NH+](C)C1 ZINC000456239126 544595511 /nfs/dbraw/zinc/59/55/11/544595511.db2.gz JUKATIYDFDSUGU-CRWXNKLISA-N 2 2 299.415 -0.381 20 0 CBADLP C[C@H](NC(=O)CCOC1C[NH2+]C1)c1[nH+]ccn1C ZINC000662934549 419783793 /nfs/dbraw/zinc/78/37/93/419783793.db2.gz OLUQXCRYJMVAMJ-VIFPVBQESA-N 2 2 252.318 -0.024 20 0 CBADLP O=C(N1CC[NH+](Cc2ccncc2)CC1)C1(O)C[NH2+]C1 ZINC000662784831 419722538 /nfs/dbraw/zinc/72/25/38/419722538.db2.gz DLUVZEHNRGZYBG-UHFFFAOYSA-N 2 2 276.340 -0.940 20 0 CBADLP CN(Cc1c[nH+]c[nH]1)C(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662992414 419806423 /nfs/dbraw/zinc/80/64/23/419806423.db2.gz GUQZDMJCYGYUQW-NXEZZACHSA-N 2 2 283.307 -0.734 20 0 CBADLP CN(Cc1c[nH]c[nH+]1)C(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662992414 419806431 /nfs/dbraw/zinc/80/64/31/419806431.db2.gz GUQZDMJCYGYUQW-NXEZZACHSA-N 2 2 283.307 -0.734 20 0 CBADLP C[C@@H]1[C@H](C(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)CC[N@@H+]1C ZINC000648802982 419807786 /nfs/dbraw/zinc/80/77/86/419807786.db2.gz RVUNKMMJJDLTSF-VXGBXAGGSA-N 2 2 296.415 -0.265 20 0 CBADLP C[C@@H]1[C@H](C(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)CC[N@H+]1C ZINC000648802982 419807792 /nfs/dbraw/zinc/80/77/92/419807792.db2.gz RVUNKMMJJDLTSF-VXGBXAGGSA-N 2 2 296.415 -0.265 20 0 CBADLP C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)C(=O)NCC[NH+](C)C ZINC000515389029 544601314 /nfs/dbraw/zinc/60/13/14/544601314.db2.gz LMZJINKNYQFPCU-SNVBAGLBSA-N 2 2 281.360 -0.475 20 0 CBADLP C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)C(=O)NCC[NH+](C)C ZINC000515389029 544601317 /nfs/dbraw/zinc/60/13/17/544601317.db2.gz LMZJINKNYQFPCU-SNVBAGLBSA-N 2 2 281.360 -0.475 20 0 CBADLP CN(C)C(=O)CNC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000663463588 419839857 /nfs/dbraw/zinc/83/98/57/419839857.db2.gz FZLMDKUAIMSLML-UHFFFAOYSA-N 2 2 287.408 -0.743 20 0 CBADLP CN(C)C(=O)CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000663463588 419839861 /nfs/dbraw/zinc/83/98/61/419839861.db2.gz FZLMDKUAIMSLML-UHFFFAOYSA-N 2 2 287.408 -0.743 20 0 CBADLP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000662948052 419790831 /nfs/dbraw/zinc/79/08/31/419790831.db2.gz RPTPGDKTGYJLEO-VIFPVBQESA-N 2 2 265.317 -0.812 20 0 CBADLP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000662948052 419790839 /nfs/dbraw/zinc/79/08/39/419790839.db2.gz RPTPGDKTGYJLEO-VIFPVBQESA-N 2 2 265.317 -0.812 20 0 CBADLP C[NH2+]C[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000662966655 419796183 /nfs/dbraw/zinc/79/61/83/419796183.db2.gz UCEBEGOBOMYKPO-SECBINFHSA-N 2 2 260.301 0.000 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)[C@@H]2[NH2+]CC2(C)C)CCO1 ZINC000649312002 419873908 /nfs/dbraw/zinc/87/39/08/419873908.db2.gz BHBMRHGIFSQFTC-QWRGUYRKSA-N 2 2 255.362 -0.179 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)[C@@H]2[NH2+]CC2(C)C)CCO1 ZINC000649312002 419873910 /nfs/dbraw/zinc/87/39/10/419873910.db2.gz BHBMRHGIFSQFTC-QWRGUYRKSA-N 2 2 255.362 -0.179 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CCO1 ZINC000649312336 419875162 /nfs/dbraw/zinc/87/51/62/419875162.db2.gz IJLRAOKGYMFULS-QCNOEVLYSA-N 2 2 253.346 -0.426 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CCO1 ZINC000649312336 419875165 /nfs/dbraw/zinc/87/51/65/419875165.db2.gz IJLRAOKGYMFULS-QCNOEVLYSA-N 2 2 253.346 -0.426 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649320494 419883840 /nfs/dbraw/zinc/88/38/40/419883840.db2.gz FDPOIZPZCCCLTE-NNYUYHANSA-N 2 2 253.346 -0.711 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649320494 419883845 /nfs/dbraw/zinc/88/38/45/419883845.db2.gz FDPOIZPZCCCLTE-NNYUYHANSA-N 2 2 253.346 -0.711 20 0 CBADLP C[C@@H](NC(=O)COC1(C)C[NH2+]C1)[C@H](C)[NH+]1CCOCC1 ZINC000649323311 419888516 /nfs/dbraw/zinc/88/85/16/419888516.db2.gz VTPKMUJBIOIKTC-NEPJUHHUSA-N 2 2 285.388 -0.410 20 0 CBADLP Cn1c(=O)cc(NCC[N@H+](C)CCC[NH+](C)C)n(C)c1=O ZINC000664244842 419889892 /nfs/dbraw/zinc/88/98/92/419889892.db2.gz LHAOUCHBAFOLFE-UHFFFAOYSA-N 2 2 297.403 -0.621 20 0 CBADLP Cn1c(=O)cc(NCC[N@@H+](C)CCC[NH+](C)C)n(C)c1=O ZINC000664244842 419889897 /nfs/dbraw/zinc/88/98/97/419889897.db2.gz LHAOUCHBAFOLFE-UHFFFAOYSA-N 2 2 297.403 -0.621 20 0 CBADLP c1nc(N2CC[N@@H+]3CCOC[C@H]3C2)c2c([nH+]1)NCCO2 ZINC000665711333 544613646 /nfs/dbraw/zinc/61/36/46/544613646.db2.gz BCOMQJDVIOECTH-SNVBAGLBSA-N 2 2 277.328 -0.198 20 0 CBADLP c1nc(N2CC[N@H+]3CCOC[C@H]3C2)c2c([nH+]1)NCCO2 ZINC000665711333 544613648 /nfs/dbraw/zinc/61/36/48/544613648.db2.gz BCOMQJDVIOECTH-SNVBAGLBSA-N 2 2 277.328 -0.198 20 0 CBADLP C[C@@H](NC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)c1[nH+]ccn1C ZINC000667246159 544657774 /nfs/dbraw/zinc/65/77/74/544657774.db2.gz APSZXKPZNBCINQ-GRYCIOLGSA-N 2 2 293.371 -0.059 20 0 CBADLP Cc1[nH+]cc(C[N@@H+]2CC[C@@H](NS(C)(=O)=O)C2)n1C ZINC000667654790 544668637 /nfs/dbraw/zinc/66/86/37/544668637.db2.gz KQDIWLVPXCROMH-SNVBAGLBSA-N 2 2 272.374 -0.148 20 0 CBADLP Cc1[nH+]cc(C[N@H+]2CC[C@@H](NS(C)(=O)=O)C2)n1C ZINC000667654790 544668641 /nfs/dbraw/zinc/66/86/41/544668641.db2.gz KQDIWLVPXCROMH-SNVBAGLBSA-N 2 2 272.374 -0.148 20 0 CBADLP CC[NH+]1CCC(NC(=O)C[N@H+](C)CCC[NH3+])CC1 ZINC000649409971 419910833 /nfs/dbraw/zinc/91/08/33/419910833.db2.gz DRHCAIAYFABXHN-UHFFFAOYSA-N 3 2 256.394 -0.133 20 0 CBADLP CC[NH+]1CCC(NC(=O)C[N@@H+](C)CCC[NH3+])CC1 ZINC000649409971 419910836 /nfs/dbraw/zinc/91/08/36/419910836.db2.gz DRHCAIAYFABXHN-UHFFFAOYSA-N 3 2 256.394 -0.133 20 0 CBADLP NC(=O)c1cccnc1N1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000649411663 419910950 /nfs/dbraw/zinc/91/09/50/419910950.db2.gz POECNPDHMFUICC-LBPRGKRZSA-N 2 2 289.383 -0.088 20 0 CBADLP CCNC(=O)C[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000668513056 544704723 /nfs/dbraw/zinc/70/47/23/544704723.db2.gz XQKWHZATENGJRI-UHFFFAOYSA-N 2 2 292.387 -0.546 20 0 CBADLP O=C(Cc1cn2c([nH+]1)CCCC2)N1CCOC2(C[NH2+]C2)C1 ZINC000664727971 419914278 /nfs/dbraw/zinc/91/42/78/419914278.db2.gz VBTOJYCDDRVJFN-UHFFFAOYSA-N 2 2 290.367 -0.037 20 0 CBADLP CO[C@@H]1C[NH+]([C@@H](C)CC[N@@H+]2C[C@@H](O)[C@H](OC)C2)C[C@H]1O ZINC000664778555 419915616 /nfs/dbraw/zinc/91/56/16/419915616.db2.gz RKSABLZALPJSDY-RYMFRWLXSA-N 2 2 288.388 -0.852 20 0 CBADLP CO[C@@H]1C[NH+]([C@@H](C)CC[N@H+]2C[C@@H](O)[C@H](OC)C2)C[C@H]1O ZINC000664778555 419915622 /nfs/dbraw/zinc/91/56/22/419915622.db2.gz RKSABLZALPJSDY-RYMFRWLXSA-N 2 2 288.388 -0.852 20 0 CBADLP CO[C@@H]1C[NH+](CC[C@H](C)[N@@H+]2C[C@@H](O)[C@H](OC)C2)C[C@H]1O ZINC000664778555 419915629 /nfs/dbraw/zinc/91/56/29/419915629.db2.gz RKSABLZALPJSDY-RYMFRWLXSA-N 2 2 288.388 -0.852 20 0 CBADLP CO[C@@H]1C[NH+](CC[C@H](C)[N@H+]2C[C@@H](O)[C@H](OC)C2)C[C@H]1O ZINC000664778555 419915634 /nfs/dbraw/zinc/91/56/34/419915634.db2.gz RKSABLZALPJSDY-RYMFRWLXSA-N 2 2 288.388 -0.852 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000669461719 544749315 /nfs/dbraw/zinc/74/93/15/544749315.db2.gz WVKBHOMLSDWKAU-HZSPNIEDSA-N 2 2 296.415 -0.042 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000669461719 544749319 /nfs/dbraw/zinc/74/93/19/544749319.db2.gz WVKBHOMLSDWKAU-HZSPNIEDSA-N 2 2 296.415 -0.042 20 0 CBADLP C[NH+]1CCN(C(=O)N[C@H]2CCC[N@@H+](C)C2)[C@@H](C[NH3+])C1 ZINC000669403090 544749500 /nfs/dbraw/zinc/74/95/00/544749500.db2.gz ISZQIRQDZQPWEF-RYUDHWBXSA-N 3 2 269.393 -0.635 20 0 CBADLP C[NH+]1CCN(C(=O)N[C@H]2CCC[N@H+](C)C2)[C@@H](C[NH3+])C1 ZINC000669403090 544749504 /nfs/dbraw/zinc/74/95/04/544749504.db2.gz ISZQIRQDZQPWEF-RYUDHWBXSA-N 3 2 269.393 -0.635 20 0 CBADLP C[NH+]1CCC[C@H](NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])C1 ZINC000669403090 544749510 /nfs/dbraw/zinc/74/95/10/544749510.db2.gz ISZQIRQDZQPWEF-RYUDHWBXSA-N 3 2 269.393 -0.635 20 0 CBADLP C[NH+]1CCC[C@H](NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])C1 ZINC000669403090 544749514 /nfs/dbraw/zinc/74/95/14/544749514.db2.gz ISZQIRQDZQPWEF-RYUDHWBXSA-N 3 2 269.393 -0.635 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)NCC[NH2+]C1CC1 ZINC000669461858 544749624 /nfs/dbraw/zinc/74/96/24/544749624.db2.gz FWWZRVGTYWPVCH-NSHDSACASA-N 2 2 270.377 -0.242 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)NCC[NH2+]C1CC1 ZINC000669461858 544749628 /nfs/dbraw/zinc/74/96/28/544749628.db2.gz FWWZRVGTYWPVCH-NSHDSACASA-N 2 2 270.377 -0.242 20 0 CBADLP C[C@H](NC(=O)N1CC[NH2+][C@@H](C)C1)[C@H]1C[N@H+](C)CCO1 ZINC000669538171 544752359 /nfs/dbraw/zinc/75/23/59/544752359.db2.gz BXUYVXJAQPYWAI-SDDRHHMPSA-N 2 2 270.377 -0.291 20 0 CBADLP C[C@H](NC(=O)N1CC[NH2+][C@@H](C)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000669538171 544752361 /nfs/dbraw/zinc/75/23/61/544752361.db2.gz BXUYVXJAQPYWAI-SDDRHHMPSA-N 2 2 270.377 -0.291 20 0 CBADLP CCCNC(=O)CCC[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649685246 419924307 /nfs/dbraw/zinc/92/43/07/419924307.db2.gz UEPGAVZIYJQGTB-UHFFFAOYSA-N 2 2 298.431 -0.001 20 0 CBADLP CCCNC(=O)CCC[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649685246 419924313 /nfs/dbraw/zinc/92/43/13/419924313.db2.gz UEPGAVZIYJQGTB-UHFFFAOYSA-N 2 2 298.431 -0.001 20 0 CBADLP CCN(C)C(=O)CC[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649687057 419925367 /nfs/dbraw/zinc/92/53/67/419925367.db2.gz GTWWPJCENIHNRL-UHFFFAOYSA-N 2 2 284.404 -0.439 20 0 CBADLP CCN(C)C(=O)CC[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649687057 419925372 /nfs/dbraw/zinc/92/53/72/419925372.db2.gz GTWWPJCENIHNRL-UHFFFAOYSA-N 2 2 284.404 -0.439 20 0 CBADLP CC(C)OC[C@@H](O)C[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649687138 419926000 /nfs/dbraw/zinc/92/60/00/419926000.db2.gz KJGGLLJAJCQUKN-ZDUSSCGKSA-N 2 2 287.404 -0.522 20 0 CBADLP CC(C)OC[C@@H](O)C[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649687138 419926007 /nfs/dbraw/zinc/92/60/07/419926007.db2.gz KJGGLLJAJCQUKN-ZDUSSCGKSA-N 2 2 287.404 -0.522 20 0 CBADLP C[C@@H]1C[N@H+](CCN2CCN(CC[NH+](C)C)C(=O)C2)CCO1 ZINC000649685859 419926229 /nfs/dbraw/zinc/92/62/29/419926229.db2.gz OOKWCODVIDDEIF-CQSZACIVSA-N 2 2 298.431 -0.587 20 0 CBADLP C[C@@H]1C[N@@H+](CCN2CCN(CC[NH+](C)C)C(=O)C2)CCO1 ZINC000649685859 419926237 /nfs/dbraw/zinc/92/62/37/419926237.db2.gz OOKWCODVIDDEIF-CQSZACIVSA-N 2 2 298.431 -0.587 20 0 CBADLP CCCCNC(=O)CC[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649688112 419926505 /nfs/dbraw/zinc/92/65/05/419926505.db2.gz RHQIDOCKTBSNCU-UHFFFAOYSA-N 2 2 298.431 -0.001 20 0 CBADLP CCCCNC(=O)CC[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649688112 419926512 /nfs/dbraw/zinc/92/65/12/419926512.db2.gz RHQIDOCKTBSNCU-UHFFFAOYSA-N 2 2 298.431 -0.001 20 0 CBADLP C[N@@H+]1CCC[C@H](NC(=O)C(=O)NCCCn2cc[nH+]c2)C1 ZINC000670479292 544796862 /nfs/dbraw/zinc/79/68/62/544796862.db2.gz CFHQOEVRRLDKCI-LBPRGKRZSA-N 2 2 293.371 -0.400 20 0 CBADLP C[N@H+]1CCC[C@H](NC(=O)C(=O)NCCCn2cc[nH+]c2)C1 ZINC000670479292 544796866 /nfs/dbraw/zinc/79/68/66/544796866.db2.gz CFHQOEVRRLDKCI-LBPRGKRZSA-N 2 2 293.371 -0.400 20 0 CBADLP CCC[C@H](O)C[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649684987 419927020 /nfs/dbraw/zinc/92/70/20/419927020.db2.gz JZGJOSFNUYJICN-LBPRGKRZSA-N 2 2 257.378 -0.147 20 0 CBADLP CCC[C@H](O)C[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649684987 419927023 /nfs/dbraw/zinc/92/70/23/419927023.db2.gz JZGJOSFNUYJICN-LBPRGKRZSA-N 2 2 257.378 -0.147 20 0 CBADLP C[C@H](O)CCC[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649685060 419927135 /nfs/dbraw/zinc/92/71/35/419927135.db2.gz MOYBZIHESWOIHD-LBPRGKRZSA-N 2 2 257.378 -0.147 20 0 CBADLP C[C@H](O)CCC[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649685060 419927136 /nfs/dbraw/zinc/92/71/36/419927136.db2.gz MOYBZIHESWOIHD-LBPRGKRZSA-N 2 2 257.378 -0.147 20 0 CBADLP C[N@@H+]1CCC[C@@H](NC(=O)C(=O)NCCn2cc[nH+]c2)C1 ZINC000670639900 544797626 /nfs/dbraw/zinc/79/76/26/544797626.db2.gz ZDANYMNGOHZNCN-LLVKDONJSA-N 2 2 279.344 -0.790 20 0 CBADLP C[N@H+]1CCC[C@@H](NC(=O)C(=O)NCCn2cc[nH+]c2)C1 ZINC000670639900 544797630 /nfs/dbraw/zinc/79/76/30/544797630.db2.gz ZDANYMNGOHZNCN-LLVKDONJSA-N 2 2 279.344 -0.790 20 0 CBADLP C[C@H](C(=O)N[C@@H]1CCc2c[nH+]cn2C1)N1CC[NH+](C)CC1 ZINC000672147442 544840142 /nfs/dbraw/zinc/84/01/42/544840142.db2.gz NMECJGJAFUDUQQ-CHWSQXEVSA-N 2 2 291.399 -0.050 20 0 CBADLP C[C@H]1CN(C)C[C@@H]1[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665292097 419938955 /nfs/dbraw/zinc/93/89/55/419938955.db2.gz SGSIAIJWVHLORH-WPRPVWTQSA-N 2 2 251.334 -0.319 20 0 CBADLP Cn1cc[nH+]c1CNC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000672256327 544843527 /nfs/dbraw/zinc/84/35/27/544843527.db2.gz OAGKRGWSYDNBEJ-SNVBAGLBSA-N 2 2 279.344 -0.753 20 0 CBADLP Cn1cc[nH+]c1CNC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000672256327 544843528 /nfs/dbraw/zinc/84/35/28/544843528.db2.gz OAGKRGWSYDNBEJ-SNVBAGLBSA-N 2 2 279.344 -0.753 20 0 CBADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359295847 419955594 /nfs/dbraw/zinc/95/55/94/419955594.db2.gz XQRUYHCLSQYLSJ-NDBYEHHHSA-N 2 2 267.373 -0.179 20 0 CBADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359295847 419955598 /nfs/dbraw/zinc/95/55/98/419955598.db2.gz XQRUYHCLSQYLSJ-NDBYEHHHSA-N 2 2 267.373 -0.179 20 0 CBADLP O=C(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)NC(=O)NCC(F)(F)F ZINC000359312785 419958883 /nfs/dbraw/zinc/95/88/83/419958883.db2.gz VCIBKBKFOTUPSR-OCAPTIKFSA-N 2 2 294.277 -0.474 20 0 CBADLP O=C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)NC(=O)NCC(F)(F)F ZINC000359312785 419958888 /nfs/dbraw/zinc/95/88/88/419958888.db2.gz VCIBKBKFOTUPSR-OCAPTIKFSA-N 2 2 294.277 -0.474 20 0 CBADLP CC(C)NC(=O)NC(=O)[C@H](C)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000359315270 419959501 /nfs/dbraw/zinc/95/95/01/419959501.db2.gz WBTABDQQYKQOGG-HBNTYKKESA-N 2 2 268.361 -0.240 20 0 CBADLP NC(=O)[C@H]1C[C@@H]([NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000650743452 419966344 /nfs/dbraw/zinc/96/63/44/419966344.db2.gz TXILOTCLVQTNTP-KXNHARMFSA-N 2 2 253.346 -0.393 20 0 CBADLP O=C(C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)N1CCNC(=O)C1 ZINC000360022255 420000919 /nfs/dbraw/zinc/00/09/19/420000919.db2.gz PGRSJRUQMNTJKB-UHFFFAOYSA-N 2 2 291.355 -0.453 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2C[C@@H](O)C3(CC3)C2)CC1 ZINC000364312226 420035519 /nfs/dbraw/zinc/03/55/19/420035519.db2.gz BNLDSRBMDDFJIW-CHWSQXEVSA-N 2 2 281.400 -0.004 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2C[C@@H](O)C3(CC3)C2)CC1 ZINC000364312226 420035523 /nfs/dbraw/zinc/03/55/23/420035523.db2.gz BNLDSRBMDDFJIW-CHWSQXEVSA-N 2 2 281.400 -0.004 20 0 CBADLP C[N@@H+]1CCO[C@H](CNc2cc[nH+]c(N3CCOCC3)n2)C1 ZINC000364983860 420051024 /nfs/dbraw/zinc/05/10/24/420051024.db2.gz SDPSAGMQHJWTLY-GFCCVEGCSA-N 2 2 293.371 0.056 20 0 CBADLP C[N@H+]1CCO[C@H](CNc2cc[nH+]c(N3CCOCC3)n2)C1 ZINC000364983860 420051028 /nfs/dbraw/zinc/05/10/28/420051028.db2.gz SDPSAGMQHJWTLY-GFCCVEGCSA-N 2 2 293.371 0.056 20 0 CBADLP CCN1C[C@@H](CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])CC1=O ZINC000652246559 420055712 /nfs/dbraw/zinc/05/57/12/420055712.db2.gz TXCYXMQUQBGHIM-VXGBXAGGSA-N 2 2 297.403 -0.861 20 0 CBADLP CCN1C[C@@H](CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])CC1=O ZINC000652246559 420055713 /nfs/dbraw/zinc/05/57/13/420055713.db2.gz TXCYXMQUQBGHIM-VXGBXAGGSA-N 2 2 297.403 -0.861 20 0 CBADLP CCN1C[C@@H](CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])CC1=O ZINC000652246556 420056014 /nfs/dbraw/zinc/05/60/14/420056014.db2.gz TXCYXMQUQBGHIM-NEPJUHHUSA-N 2 2 297.403 -0.861 20 0 CBADLP CCN1C[C@@H](CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])CC1=O ZINC000652246556 420056018 /nfs/dbraw/zinc/05/60/18/420056018.db2.gz TXCYXMQUQBGHIM-NEPJUHHUSA-N 2 2 297.403 -0.861 20 0 CBADLP CC[C@H]1CN(C(=O)C[NH2+]C)C[C@H]1[NH+]1CCOCC1 ZINC000366941585 420095742 /nfs/dbraw/zinc/09/57/42/420095742.db2.gz SMPZOCSDUCXOEA-NWDGAFQWSA-N 2 2 255.362 -0.225 20 0 CBADLP CC[NH+](CC)CCN1CCO[C@@H](C[N@H+](C)CC(N)=O)C1 ZINC000367051247 420097903 /nfs/dbraw/zinc/09/79/03/420097903.db2.gz XETVFFXJXRSDHK-ZDUSSCGKSA-N 2 2 286.420 -0.554 20 0 CBADLP CC[NH+](CC)CCN1CCO[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC000367051247 420097907 /nfs/dbraw/zinc/09/79/07/420097907.db2.gz XETVFFXJXRSDHK-ZDUSSCGKSA-N 2 2 286.420 -0.554 20 0 CBADLP CC[N@@H+]1CCOC[C@H]1C(=O)NCC[NH+](C)CCOC ZINC000367255657 420101550 /nfs/dbraw/zinc/10/15/50/420101550.db2.gz OIGZVEJUTULRNQ-LBPRGKRZSA-N 2 2 273.377 -0.599 20 0 CBADLP CC[N@H+]1CCOC[C@H]1C(=O)NCC[NH+](C)CCOC ZINC000367255657 420101554 /nfs/dbraw/zinc/10/15/54/420101554.db2.gz OIGZVEJUTULRNQ-LBPRGKRZSA-N 2 2 273.377 -0.599 20 0 CBADLP CC[NH+]1CCOC[C@H]1C(=O)NCC[N@H+](C)CCOC ZINC000367255657 420101558 /nfs/dbraw/zinc/10/15/58/420101558.db2.gz OIGZVEJUTULRNQ-LBPRGKRZSA-N 2 2 273.377 -0.599 20 0 CBADLP CC[NH+]1CCOC[C@H]1C(=O)NCC[N@@H+](C)CCOC ZINC000367255657 420101560 /nfs/dbraw/zinc/10/15/60/420101560.db2.gz OIGZVEJUTULRNQ-LBPRGKRZSA-N 2 2 273.377 -0.599 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CCC(=O)N[C@H]2C2CC2)CC1 ZINC000367446165 420106419 /nfs/dbraw/zinc/10/64/19/420106419.db2.gz CBRHAWJXRQAOBT-WFASDCNBSA-N 2 2 294.399 -0.593 20 0 CBADLP O=C(C[N@@H+]1CCc2sccc2C1)NC[C@H]1C[NH2+]C[C@H]1O ZINC000367476992 420107813 /nfs/dbraw/zinc/10/78/13/420107813.db2.gz LRGXNGSUDFAXII-VXGBXAGGSA-N 2 2 295.408 -0.197 20 0 CBADLP O=C(C[N@H+]1CCc2sccc2C1)NC[C@H]1C[NH2+]C[C@H]1O ZINC000367476992 420107815 /nfs/dbraw/zinc/10/78/15/420107815.db2.gz LRGXNGSUDFAXII-VXGBXAGGSA-N 2 2 295.408 -0.197 20 0 CBADLP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653044982 420110318 /nfs/dbraw/zinc/11/03/18/420110318.db2.gz MUHLKNNIGKYDOF-QJPTWQEYSA-N 3 2 256.394 -0.006 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000653052458 420111935 /nfs/dbraw/zinc/11/19/35/420111935.db2.gz GEKUQMOOEWKWIO-SDDRHHMPSA-N 3 2 256.394 -0.101 20 0 CBADLP CCN(CC)C(=O)CN(C)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653059834 420111982 /nfs/dbraw/zinc/11/19/82/420111982.db2.gz PFECOKWKLIBVPU-LLVKDONJSA-N 2 2 272.393 -0.408 20 0 CBADLP C[C@@H]1CCCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)[C@@H]1C[NH3+] ZINC000653052046 420112230 /nfs/dbraw/zinc/11/22/30/420112230.db2.gz SIBVMUMAZSKSLA-IJLUTSLNSA-N 3 2 256.394 -0.149 20 0 CBADLP CCCN(CC(=O)NC)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653075870 420112524 /nfs/dbraw/zinc/11/25/24/420112524.db2.gz APZLLPAKKKCNCJ-JTQLQIEISA-N 2 2 258.366 -0.750 20 0 CBADLP CC[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653080544 420112761 /nfs/dbraw/zinc/11/27/61/420112761.db2.gz KZHAKWQCRUPBAF-AXFHLTTASA-N 2 2 272.393 -0.315 20 0 CBADLP CC[N@@H+]1CCOC[C@@H]1C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000367645614 420113049 /nfs/dbraw/zinc/11/30/49/420113049.db2.gz MWMVANYPDNSTEB-CQSZACIVSA-N 2 2 299.415 -0.330 20 0 CBADLP CC[N@H+]1CCOC[C@@H]1C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000367645614 420113054 /nfs/dbraw/zinc/11/30/54/420113054.db2.gz MWMVANYPDNSTEB-CQSZACIVSA-N 2 2 299.415 -0.330 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC1(C(N)=O)CCCCC1 ZINC000653073973 420113544 /nfs/dbraw/zinc/11/35/44/420113544.db2.gz UFUJFQVMAUTEHC-JTQLQIEISA-N 2 2 270.377 -0.430 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCC[C@@H]1C(=O)NC1CC1 ZINC000653071936 420113741 /nfs/dbraw/zinc/11/37/41/420113741.db2.gz XTKQMIXYZWEMGA-VXGBXAGGSA-N 2 2 282.388 -0.465 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)Cn1cccn1 ZINC000653073249 420113949 /nfs/dbraw/zinc/11/39/49/420113949.db2.gz WYHUKKOLKGMWMC-RYUDHWBXSA-N 2 2 267.377 -0.086 20 0 CBADLP CC(C)N1C[C@@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)CC1=O ZINC000653084799 420114365 /nfs/dbraw/zinc/11/43/65/420114365.db2.gz SHEOVZODXZMFOC-WDEREUQCSA-N 2 2 270.377 -0.609 20 0 CBADLP CC(C)[C@@H]1C(=O)NCCN1C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653086621 420115420 /nfs/dbraw/zinc/11/54/20/420115420.db2.gz XLTVFOWDLBGWRJ-WDEREUQCSA-N 2 2 270.377 -0.752 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000653102146 420117039 /nfs/dbraw/zinc/11/70/39/420117039.db2.gz OYSZBBMJYTVTAF-QWRGUYRKSA-N 2 2 284.404 -0.219 20 0 CBADLP C(C[NH+]1CCOCC1)N1CC[C@H]([NH2+]C2COC2)C1 ZINC000367898530 420117185 /nfs/dbraw/zinc/11/71/85/420117185.db2.gz YUEWVSAKNQPZMK-LBPRGKRZSA-N 2 2 255.362 -0.619 20 0 CBADLP O=C(NCCn1cc[nH+]c1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653105684 420117311 /nfs/dbraw/zinc/11/73/11/420117311.db2.gz FVRDPZFPLYLGEY-JQWIXIFHSA-N 2 2 250.302 -0.765 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@H]2CCC[NH2+]CC2)CC1 ZINC000653109755 420117753 /nfs/dbraw/zinc/11/77/53/420117753.db2.gz LRGAHCBAMBFXGT-AWEZNQCLSA-N 2 2 296.415 -0.344 20 0 CBADLP CC[N@H+](CCNC(=O)[C@H]([NH3+])CC[NH+](C)C)C1CC1 ZINC000653115053 420118856 /nfs/dbraw/zinc/11/88/56/420118856.db2.gz AWXXCSCTNUPBMG-GFCCVEGCSA-N 3 2 256.394 -0.134 20 0 CBADLP CC[N@@H+](CCNC(=O)[C@H]([NH3+])CC[NH+](C)C)C1CC1 ZINC000653115053 420118857 /nfs/dbraw/zinc/11/88/57/420118857.db2.gz AWXXCSCTNUPBMG-GFCCVEGCSA-N 3 2 256.394 -0.134 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCN(CC(F)F)CC1 ZINC000653113413 420119215 /nfs/dbraw/zinc/11/92/15/420119215.db2.gz BIVCTYMNAKORGD-JTQLQIEISA-N 2 2 278.347 -0.325 20 0 CBADLP C[NH+](C)CC[C@@H](N)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000653116397 420119236 /nfs/dbraw/zinc/11/92/36/420119236.db2.gz FOZIEAIQINJGNA-GFCCVEGCSA-N 2 2 286.420 -0.508 20 0 CBADLP C[NH+](C)CC[C@@H](N)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000653116397 420119240 /nfs/dbraw/zinc/11/92/40/420119240.db2.gz FOZIEAIQINJGNA-GFCCVEGCSA-N 2 2 286.420 -0.508 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000653115584 420119518 /nfs/dbraw/zinc/11/95/18/420119518.db2.gz TYNQJVHMPLHUTF-NWDGAFQWSA-N 3 2 256.394 -0.182 20 0 CBADLP CN(CCNC(=O)[C@@H]([NH3+])CC[NH+](C)C)CC(F)(F)F ZINC000653115349 420120229 /nfs/dbraw/zinc/12/02/29/420120229.db2.gz LKDGLEWANAQACD-VIFPVBQESA-N 2 2 284.326 -0.124 20 0 CBADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653139642 420121763 /nfs/dbraw/zinc/12/17/63/420121763.db2.gz PIJQSPAUHTZLBM-KKOKHZNYSA-N 3 2 256.394 -0.232 20 0 CBADLP CC(C)[C@H]1CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CC[NH2+]1 ZINC000653132829 420121891 /nfs/dbraw/zinc/12/18/91/420121891.db2.gz DDCJFYQJAQSGLV-NWDGAFQWSA-N 3 2 256.394 -0.278 20 0 CBADLP CN(CC[N@H+](C)C1CC1)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653155730 420124217 /nfs/dbraw/zinc/12/42/17/420124217.db2.gz DLHCRWUNNYPHNF-GFCCVEGCSA-N 3 2 256.394 -0.182 20 0 CBADLP CN(CC[N@@H+](C)C1CC1)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653155730 420124221 /nfs/dbraw/zinc/12/42/21/420124221.db2.gz DLHCRWUNNYPHNF-GFCCVEGCSA-N 3 2 256.394 -0.182 20 0 CBADLP CCC[C@@H]1C(=O)NCCN1C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653153715 420124466 /nfs/dbraw/zinc/12/44/66/420124466.db2.gz XQJYWWCJTDJTGQ-WDEREUQCSA-N 2 2 270.377 -0.608 20 0 CBADLP CCN1C[C@@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)CC1=O ZINC000653168370 420125540 /nfs/dbraw/zinc/12/55/40/420125540.db2.gz ZYADOIPJKPPUOI-VHSXEESVSA-N 2 2 256.350 -0.998 20 0 CBADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C1C[NH2+]C1 ZINC000368245012 420126940 /nfs/dbraw/zinc/12/69/40/420126940.db2.gz OVMKAWDRFLNVLI-UHFFFAOYSA-N 2 2 279.344 -0.627 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NCCC1(C[NH3+])CC1 ZINC000653221146 420127869 /nfs/dbraw/zinc/12/78/69/420127869.db2.gz KDSGXGCWJHUVDO-UHFFFAOYSA-N 2 2 284.404 -0.312 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NCCC1(C[NH3+])CC1 ZINC000653221146 420127873 /nfs/dbraw/zinc/12/78/73/420127873.db2.gz KDSGXGCWJHUVDO-UHFFFAOYSA-N 2 2 284.404 -0.312 20 0 CBADLP C[NH+]1CCN(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)CC1 ZINC000368388016 420130224 /nfs/dbraw/zinc/13/02/24/420130224.db2.gz OJJHXUHKGXAUQY-CYBMUJFWSA-N 2 2 282.388 -0.193 20 0 CBADLP C[NH+]1CCN(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)CC1 ZINC000368388016 420130226 /nfs/dbraw/zinc/13/02/26/420130226.db2.gz OJJHXUHKGXAUQY-CYBMUJFWSA-N 2 2 282.388 -0.193 20 0 CBADLP COCCOCC[NH+]1CCN(C(=O)C(C)(C)C[NH3+])CC1 ZINC000653275909 420133359 /nfs/dbraw/zinc/13/33/59/420133359.db2.gz QPMKZWVINMLGEB-UHFFFAOYSA-N 2 2 287.404 -0.222 20 0 CBADLP COCCOCC[NH+]1CCN(C(=O)[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000653275858 420133474 /nfs/dbraw/zinc/13/34/74/420133474.db2.gz PGDKRNUNIOTVTA-UONOGXRCSA-N 2 2 299.415 -0.208 20 0 CBADLP COCCOCC[NH+]1CCN(C(=O)C2([NH3+])CCC2)CC1 ZINC000653275572 420133711 /nfs/dbraw/zinc/13/37/11/420133711.db2.gz IMCVUDGYGSIWOD-UHFFFAOYSA-N 2 2 285.388 -0.325 20 0 CBADLP COCCOCC[NH+]1CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000653274394 420134447 /nfs/dbraw/zinc/13/44/47/420134447.db2.gz FGEQDPTXHVVTQI-BETUJISGSA-N 2 2 285.388 -0.469 20 0 CBADLP COCCOCC[NH+]1CCN(C(=O)CC[NH3+])CC1 ZINC000653276094 420134564 /nfs/dbraw/zinc/13/45/64/420134564.db2.gz VOJGGOQCCUZXBB-UHFFFAOYSA-N 2 2 259.350 -0.858 20 0 CBADLP O=C(NCCNc1cccc[nH+]1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653346338 420140840 /nfs/dbraw/zinc/14/08/40/420140840.db2.gz QWQVFFCQUZUGEN-FZMZJTMJSA-N 2 2 276.340 -0.154 20 0 CBADLP C[N@@H+]1CC[C@]2(CC[NH+](CC(=O)N3CC[NH+](C)CC3)C2)C1 ZINC000366483447 420086902 /nfs/dbraw/zinc/08/69/02/420086902.db2.gz POHREBYLERKUDR-HNNXBMFYSA-N 3 2 280.416 -0.212 20 0 CBADLP C[N@H+]1CC[C@]2(CC[NH+](CC(=O)N3CC[NH+](C)CC3)C2)C1 ZINC000366483447 420086904 /nfs/dbraw/zinc/08/69/04/420086904.db2.gz POHREBYLERKUDR-HNNXBMFYSA-N 3 2 280.416 -0.212 20 0 CBADLP C[NH+]1CC[C@]2(CC[N@H+](CC(=O)N3CC[NH+](C)CC3)C2)C1 ZINC000366483447 420086908 /nfs/dbraw/zinc/08/69/08/420086908.db2.gz POHREBYLERKUDR-HNNXBMFYSA-N 3 2 280.416 -0.212 20 0 CBADLP C[NH+]1CC[C@]2(CC[N@@H+](CC(=O)N3CC[NH+](C)CC3)C2)C1 ZINC000366483447 420086910 /nfs/dbraw/zinc/08/69/10/420086910.db2.gz POHREBYLERKUDR-HNNXBMFYSA-N 3 2 280.416 -0.212 20 0 CBADLP Cc1cn2c([nH+]1)CC[C@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C2 ZINC000372672346 420191288 /nfs/dbraw/zinc/19/12/88/420191288.db2.gz CRADMNGIOIRFHG-RYUDHWBXSA-N 2 2 278.356 -0.047 20 0 CBADLP Cc1cn2c([nH+]1)CC[C@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C2 ZINC000372672346 420191292 /nfs/dbraw/zinc/19/12/92/420191292.db2.gz CRADMNGIOIRFHG-RYUDHWBXSA-N 2 2 278.356 -0.047 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+](CC(N)=O)C1CCCC1 ZINC000653543918 420150220 /nfs/dbraw/zinc/15/02/20/420150220.db2.gz FUKCCGWMDPQODI-CYBMUJFWSA-N 2 2 287.404 -0.345 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](CC(N)=O)C1CCCC1 ZINC000653543918 420150224 /nfs/dbraw/zinc/15/02/24/420150224.db2.gz FUKCCGWMDPQODI-CYBMUJFWSA-N 2 2 287.404 -0.345 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+](CC(N)=O)C1CCCC1 ZINC000653543918 420150228 /nfs/dbraw/zinc/15/02/28/420150228.db2.gz FUKCCGWMDPQODI-CYBMUJFWSA-N 2 2 287.404 -0.345 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](CC(N)=O)C1CCCC1 ZINC000653543918 420150232 /nfs/dbraw/zinc/15/02/32/420150232.db2.gz FUKCCGWMDPQODI-CYBMUJFWSA-N 2 2 287.404 -0.345 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@]1(C)CO ZINC000653617701 420151664 /nfs/dbraw/zinc/15/16/64/420151664.db2.gz WNOQSTZKPPDHBG-STQMWFEESA-N 2 2 260.378 -0.228 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@]1(C)CO ZINC000653617701 420151666 /nfs/dbraw/zinc/15/16/66/420151666.db2.gz WNOQSTZKPPDHBG-STQMWFEESA-N 2 2 260.378 -0.228 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@]1(C)CO ZINC000653617701 420151668 /nfs/dbraw/zinc/15/16/68/420151668.db2.gz WNOQSTZKPPDHBG-STQMWFEESA-N 2 2 260.378 -0.228 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@]1(C)CO ZINC000653617701 420151672 /nfs/dbraw/zinc/15/16/72/420151672.db2.gz WNOQSTZKPPDHBG-STQMWFEESA-N 2 2 260.378 -0.228 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](C)C[C@H]1C(N)=O ZINC000653625952 420151908 /nfs/dbraw/zinc/15/19/08/420151908.db2.gz YHPPYNMTWSPDPE-SRVKXCTJSA-N 2 2 257.378 -0.115 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](C)C[C@H]1C(N)=O ZINC000653625952 420151913 /nfs/dbraw/zinc/15/19/13/420151913.db2.gz YHPPYNMTWSPDPE-SRVKXCTJSA-N 2 2 257.378 -0.115 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](C)C[C@H]1C(N)=O ZINC000653625952 420151915 /nfs/dbraw/zinc/15/19/15/420151915.db2.gz YHPPYNMTWSPDPE-SRVKXCTJSA-N 2 2 257.378 -0.115 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](C)C[C@H]1C(N)=O ZINC000653625952 420151919 /nfs/dbraw/zinc/15/19/19/420151919.db2.gz YHPPYNMTWSPDPE-SRVKXCTJSA-N 2 2 257.378 -0.115 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](n2cncn2)C1 ZINC000653623644 420152421 /nfs/dbraw/zinc/15/24/21/420152421.db2.gz KMEBGCWWQVEFNR-NWDGAFQWSA-N 2 2 253.350 -0.163 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](n2cncn2)C1 ZINC000653623644 420152424 /nfs/dbraw/zinc/15/24/24/420152424.db2.gz KMEBGCWWQVEFNR-NWDGAFQWSA-N 2 2 253.350 -0.163 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000653623644 420152428 /nfs/dbraw/zinc/15/24/28/420152428.db2.gz KMEBGCWWQVEFNR-NWDGAFQWSA-N 2 2 253.350 -0.163 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](n2cncn2)C1 ZINC000653623644 420152435 /nfs/dbraw/zinc/15/24/35/420152435.db2.gz KMEBGCWWQVEFNR-NWDGAFQWSA-N 2 2 253.350 -0.163 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](CC(N)=O)C1 ZINC000653675721 420155165 /nfs/dbraw/zinc/15/51/65/420155165.db2.gz MVWWIUBGOVYLPT-VXGBXAGGSA-N 2 2 273.377 -0.877 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](CC(N)=O)C1 ZINC000653675721 420155167 /nfs/dbraw/zinc/15/51/67/420155167.db2.gz MVWWIUBGOVYLPT-VXGBXAGGSA-N 2 2 273.377 -0.877 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](CC(N)=O)C1 ZINC000653675721 420155171 /nfs/dbraw/zinc/15/51/71/420155171.db2.gz MVWWIUBGOVYLPT-VXGBXAGGSA-N 2 2 273.377 -0.877 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](CC(N)=O)C1 ZINC000653675721 420155173 /nfs/dbraw/zinc/15/51/73/420155173.db2.gz MVWWIUBGOVYLPT-VXGBXAGGSA-N 2 2 273.377 -0.877 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@](O)(Cn2ccnn2)C1 ZINC000653669170 420156165 /nfs/dbraw/zinc/15/61/65/420156165.db2.gz LRUMIMLWEDECIB-OLZOCXBDSA-N 2 2 283.376 -0.973 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@](O)(Cn2ccnn2)C1 ZINC000653669170 420156171 /nfs/dbraw/zinc/15/61/71/420156171.db2.gz LRUMIMLWEDECIB-OLZOCXBDSA-N 2 2 283.376 -0.973 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@](O)(Cn2ccnn2)C1 ZINC000653669170 420156176 /nfs/dbraw/zinc/15/61/76/420156176.db2.gz LRUMIMLWEDECIB-OLZOCXBDSA-N 2 2 283.376 -0.973 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@](O)(Cn2ccnn2)C1 ZINC000653669170 420156178 /nfs/dbraw/zinc/15/61/78/420156178.db2.gz LRUMIMLWEDECIB-OLZOCXBDSA-N 2 2 283.376 -0.973 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@](O)(Cn2ccnn2)C1 ZINC000653669169 420156337 /nfs/dbraw/zinc/15/63/37/420156337.db2.gz LRUMIMLWEDECIB-CHWSQXEVSA-N 2 2 283.376 -0.973 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@](O)(Cn2ccnn2)C1 ZINC000653669169 420156342 /nfs/dbraw/zinc/15/63/42/420156342.db2.gz LRUMIMLWEDECIB-CHWSQXEVSA-N 2 2 283.376 -0.973 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@](O)(Cn2ccnn2)C1 ZINC000653669169 420156347 /nfs/dbraw/zinc/15/63/47/420156347.db2.gz LRUMIMLWEDECIB-CHWSQXEVSA-N 2 2 283.376 -0.973 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@](O)(Cn2ccnn2)C1 ZINC000653669169 420156353 /nfs/dbraw/zinc/15/63/53/420156353.db2.gz LRUMIMLWEDECIB-CHWSQXEVSA-N 2 2 283.376 -0.973 20 0 CBADLP CN(C)C(=O)CCC[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000653778330 420161591 /nfs/dbraw/zinc/16/15/91/420161591.db2.gz VOBIHTPWOXVOHX-UHFFFAOYSA-N 2 2 284.404 -0.439 20 0 CBADLP CN(C)C(=O)CCC[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000653778330 420161592 /nfs/dbraw/zinc/16/15/92/420161592.db2.gz VOBIHTPWOXVOHX-UHFFFAOYSA-N 2 2 284.404 -0.439 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1C[C@H](O)C[C@H]1COC ZINC000653778524 420161914 /nfs/dbraw/zinc/16/19/14/420161914.db2.gz CLVHRNXKLUNKDV-YNEHKIRRSA-N 2 2 276.377 -0.993 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@H](O)C[C@H]1COC ZINC000653778524 420161917 /nfs/dbraw/zinc/16/19/17/420161917.db2.gz CLVHRNXKLUNKDV-YNEHKIRRSA-N 2 2 276.377 -0.993 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@H](O)C[C@H]1COC ZINC000653778524 420161920 /nfs/dbraw/zinc/16/19/20/420161920.db2.gz CLVHRNXKLUNKDV-YNEHKIRRSA-N 2 2 276.377 -0.993 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1C[C@H](O)C[C@H]1COC ZINC000653778524 420161924 /nfs/dbraw/zinc/16/19/24/420161924.db2.gz CLVHRNXKLUNKDV-YNEHKIRRSA-N 2 2 276.377 -0.993 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000369924162 420168423 /nfs/dbraw/zinc/16/84/23/420168423.db2.gz BJXPWUBJLFLAGF-ZDUSSCGKSA-N 2 2 299.415 -0.066 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000369924162 420168424 /nfs/dbraw/zinc/16/84/24/420168424.db2.gz BJXPWUBJLFLAGF-ZDUSSCGKSA-N 2 2 299.415 -0.066 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000369924162 420168426 /nfs/dbraw/zinc/16/84/26/420168426.db2.gz BJXPWUBJLFLAGF-ZDUSSCGKSA-N 2 2 299.415 -0.066 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000369924162 420168429 /nfs/dbraw/zinc/16/84/29/420168429.db2.gz BJXPWUBJLFLAGF-ZDUSSCGKSA-N 2 2 299.415 -0.066 20 0 CBADLP CC(C)[NH2+]CCN1CCO[C@@H](C[N@H+](C)CC(N)=O)C1 ZINC000370022352 420170866 /nfs/dbraw/zinc/17/08/66/420170866.db2.gz TUFDJXYGVNXKNL-LBPRGKRZSA-N 2 2 272.393 -0.898 20 0 CBADLP CC(C)[NH2+]CCN1CCO[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC000370022352 420170869 /nfs/dbraw/zinc/17/08/69/420170869.db2.gz TUFDJXYGVNXKNL-LBPRGKRZSA-N 2 2 272.393 -0.898 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+](C[C@H](C)O)C1CC1 ZINC000653903010 420171150 /nfs/dbraw/zinc/17/11/50/420171150.db2.gz CCXJDIKIJGPURG-AAEUAGOBSA-N 2 2 260.378 -0.229 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C[C@H](C)O)C1CC1 ZINC000653903010 420171151 /nfs/dbraw/zinc/17/11/51/420171151.db2.gz CCXJDIKIJGPURG-AAEUAGOBSA-N 2 2 260.378 -0.229 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+](C[C@H](C)O)C1CC1 ZINC000653903010 420171155 /nfs/dbraw/zinc/17/11/55/420171155.db2.gz CCXJDIKIJGPURG-AAEUAGOBSA-N 2 2 260.378 -0.229 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C[C@H](C)O)C1CC1 ZINC000653903010 420171157 /nfs/dbraw/zinc/17/11/57/420171157.db2.gz CCXJDIKIJGPURG-AAEUAGOBSA-N 2 2 260.378 -0.229 20 0 CBADLP CCO[C@@H]1C[N@H+](CC(=O)NC(=O)NC2CC2)C[C@H]1C[NH3+] ZINC000405233484 420225728 /nfs/dbraw/zinc/22/57/28/420225728.db2.gz XFJXTANSKNZTFG-MWLCHTKSSA-N 2 2 284.360 -0.730 20 0 CBADLP CCO[C@@H]1C[N@@H+](CC(=O)NC(=O)NC2CC2)C[C@H]1C[NH3+] ZINC000405233484 420225730 /nfs/dbraw/zinc/22/57/30/420225730.db2.gz XFJXTANSKNZTFG-MWLCHTKSSA-N 2 2 284.360 -0.730 20 0 CBADLP CCO[C@@H]1C[N@@H+]([C@H](C)C(=O)NC2CC2)C[C@H]1C[NH3+] ZINC000405832360 420228988 /nfs/dbraw/zinc/22/89/88/420228988.db2.gz BJDIJRAZBWEZHB-CKYFFXLPSA-N 2 2 255.362 -0.051 20 0 CBADLP CCO[C@@H]1C[N@H+]([C@H](C)C(=O)NC2CC2)C[C@H]1C[NH3+] ZINC000405832360 420228992 /nfs/dbraw/zinc/22/89/92/420228992.db2.gz BJDIJRAZBWEZHB-CKYFFXLPSA-N 2 2 255.362 -0.051 20 0 CBADLP C[C@H](O)CNc1cc(NCC[N@@H+]2CCOC[C@H]2C)nc[nH+]1 ZINC000413126966 420235320 /nfs/dbraw/zinc/23/53/20/420235320.db2.gz UYLFVTFRPKZENW-NEPJUHHUSA-N 2 2 295.387 0.402 20 0 CBADLP C[C@H](O)CNc1cc(NCC[N@H+]2CCOC[C@H]2C)nc[nH+]1 ZINC000413126966 420235324 /nfs/dbraw/zinc/23/53/24/420235324.db2.gz UYLFVTFRPKZENW-NEPJUHHUSA-N 2 2 295.387 0.402 20 0 CBADLP CN(CCN1CC[NH2+]CC1)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000655414608 420247894 /nfs/dbraw/zinc/24/78/94/420247894.db2.gz RDSXOCBREIVHCC-ZDUSSCGKSA-N 2 2 291.399 -0.191 20 0 CBADLP C[N@@H+]1CCN(C(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)[C@H](C[NH3+])C1 ZINC000655418512 420248726 /nfs/dbraw/zinc/24/87/26/420248726.db2.gz ACYKPRYTHYRHGW-MBNYWOFBSA-N 3 2 266.389 -0.523 20 0 CBADLP C[N@H+]1CCN(C(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)[C@H](C[NH3+])C1 ZINC000655418512 420248731 /nfs/dbraw/zinc/24/87/31/420248731.db2.gz ACYKPRYTHYRHGW-MBNYWOFBSA-N 3 2 266.389 -0.523 20 0 CBADLP C[NH2+]C[C@@H](C)CNc1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000420202026 420250110 /nfs/dbraw/zinc/25/01/10/420250110.db2.gz NTJYEBAWOMJUHD-NXEZZACHSA-N 2 2 253.350 0.537 20 0 CBADLP C[NH2+]C[C@@H](C)CNc1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000420202026 420250115 /nfs/dbraw/zinc/25/01/15/420250115.db2.gz NTJYEBAWOMJUHD-NXEZZACHSA-N 2 2 253.350 0.537 20 0 CBADLP COCC[NH2+]CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000655451197 420251864 /nfs/dbraw/zinc/25/18/64/420251864.db2.gz DXWIVFRIDRNKAI-LLVKDONJSA-N 2 2 266.345 -0.202 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000422817461 420253856 /nfs/dbraw/zinc/25/38/56/420253856.db2.gz DCGFSTOAAMYHMF-VXGBXAGGSA-N 2 2 284.404 -0.348 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000422817461 420253862 /nfs/dbraw/zinc/25/38/62/420253862.db2.gz DCGFSTOAAMYHMF-VXGBXAGGSA-N 2 2 284.404 -0.348 20 0 CBADLP O=C(NC[C@H]1C[NH2+]CCO1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000655477729 420254734 /nfs/dbraw/zinc/25/47/34/420254734.db2.gz CCTWNTFASQAAMX-GHMZBOCLSA-N 2 2 264.329 -0.450 20 0 CBADLP C[NH2+][C@@H](C)C(=O)N1CC[NH+](CCOCCOC)CC1 ZINC000655485032 420255640 /nfs/dbraw/zinc/25/56/40/420255640.db2.gz ACQIVLKHSAWZDH-LBPRGKRZSA-N 2 2 273.377 -0.599 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655516328 420262036 /nfs/dbraw/zinc/26/20/36/420262036.db2.gz SRRBTORHJQEDRP-QMMMGPOBSA-N 2 2 298.309 -0.551 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655516328 420262039 /nfs/dbraw/zinc/26/20/39/420262039.db2.gz SRRBTORHJQEDRP-QMMMGPOBSA-N 2 2 298.309 -0.551 20 0 CBADLP CN1C(=O)CC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1=O ZINC000655779003 420270031 /nfs/dbraw/zinc/27/00/31/420270031.db2.gz ZXMJYIBMYOFSBB-OLZOCXBDSA-N 2 2 295.383 -0.023 20 0 CBADLP C[N@@H+]1CC[C@@](O)(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000655755287 420270764 /nfs/dbraw/zinc/27/07/64/420270764.db2.gz WEHLWXDHGNMHAI-LSDHHAIUSA-N 3 2 283.416 -0.104 20 0 CBADLP C[N@H+]1CC[C@@](O)(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000655755287 420270766 /nfs/dbraw/zinc/27/07/66/420270766.db2.gz WEHLWXDHGNMHAI-LSDHHAIUSA-N 3 2 283.416 -0.104 20 0 CBADLP C[NH2+]C[C@@H](C)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000430720677 420272464 /nfs/dbraw/zinc/27/24/64/420272464.db2.gz NGQBRVFYACLFKL-GFCCVEGCSA-N 2 2 295.387 0.009 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655914285 420276320 /nfs/dbraw/zinc/27/63/20/420276320.db2.gz FNIDUGMSBFVEEM-SECBINFHSA-N 2 2 298.309 -0.150 20 0 CBADLP Cn1ncc2c1nc(N[C@H]1CCn3cc[nH+]c3C1)[nH+]c2N ZINC000436357514 420281229 /nfs/dbraw/zinc/28/12/29/420281229.db2.gz HWDLOSFEWRXJQU-QMMMGPOBSA-N 2 2 284.327 0.569 20 0 CBADLP Cn1cnnc1N1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000655948376 420282342 /nfs/dbraw/zinc/28/23/42/420282342.db2.gz YWIFEZCGIYPBEB-NSHDSACASA-N 2 2 250.350 -0.453 20 0 CBADLP CN(C)[C@@H](C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)c1c[nH+]cn1C ZINC000655095720 420220196 /nfs/dbraw/zinc/22/01/96/420220196.db2.gz OKGYQHKWTHVMEB-RWMBFGLXSA-N 2 2 295.387 -0.844 20 0 CBADLP CC(C)[C@@H](C(=O)N1CC[NH+](CCO)CC1)[C@@H](C)[NH3+] ZINC000399438992 420220746 /nfs/dbraw/zinc/22/07/46/420220746.db2.gz NSQGDGRCIADDQV-VXGBXAGGSA-N 2 2 257.378 -0.258 20 0 CBADLP CN(C)[C@H](C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)c1c[nH+]cn1C ZINC000655095719 420220719 /nfs/dbraw/zinc/22/07/19/420220719.db2.gz OKGYQHKWTHVMEB-AVGNSLFASA-N 2 2 295.387 -0.844 20 0 CBADLP O=C(NCCn1cc[nH+]c1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000656548429 420314387 /nfs/dbraw/zinc/31/43/87/420314387.db2.gz UCYMHHMVHHSSBI-ZDUSSCGKSA-N 2 2 293.371 -0.001 20 0 CBADLP C[C@H](CCNC(=O)NCC[NH+]1CCOCC1)[NH+](C)C ZINC000656542529 420315169 /nfs/dbraw/zinc/31/51/69/420315169.db2.gz IIJPIPDMXXBRLJ-GFCCVEGCSA-N 2 2 272.393 -0.042 20 0 CBADLP C[NH+]1CCN(C[C@@H]2C[N@H+]([C@@H]3CCC[C@H]3O)CCO2)CC1 ZINC000656696396 420318656 /nfs/dbraw/zinc/31/86/56/420318656.db2.gz DGGARDFIMVOFGK-RBSFLKMASA-N 2 2 283.416 -0.152 20 0 CBADLP Cn1cc[nH+]c1N1CC[NH+](C[C@H]2CN(C)C(=O)O2)CC1 ZINC000496995125 420337667 /nfs/dbraw/zinc/33/76/67/420337667.db2.gz PBBWRDHPIKIUQW-LLVKDONJSA-N 2 2 279.344 -0.007 20 0 CBADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)NC1CC1 ZINC000657071536 420340427 /nfs/dbraw/zinc/34/04/27/420340427.db2.gz PMTMJJFABZFNDW-NSHDSACASA-N 2 2 292.449 -0.155 20 0 CBADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)NC1CC1 ZINC000657071536 420340430 /nfs/dbraw/zinc/34/04/30/420340430.db2.gz PMTMJJFABZFNDW-NSHDSACASA-N 2 2 292.449 -0.155 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)C1CC1 ZINC000657091767 420341211 /nfs/dbraw/zinc/34/12/11/420341211.db2.gz PIYXPDLLDYLBOC-UHFFFAOYSA-N 2 2 263.407 -0.048 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)C1CC1 ZINC000657091767 420341216 /nfs/dbraw/zinc/34/12/16/420341216.db2.gz PIYXPDLLDYLBOC-UHFFFAOYSA-N 2 2 263.407 -0.048 20 0 CBADLP CS(=O)(=O)NCC[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657332006 420353214 /nfs/dbraw/zinc/35/32/14/420353214.db2.gz CAWBYELXUCLJGS-UHFFFAOYSA-N 2 2 258.347 -0.532 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]3COC[C@@H]32)CC1 ZINC000657304990 420353780 /nfs/dbraw/zinc/35/37/80/420353780.db2.gz SLQIATFKZBBFID-OLZOCXBDSA-N 2 2 267.373 -0.129 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]3COC[C@@H]32)CC1 ZINC000657304990 420353785 /nfs/dbraw/zinc/35/37/85/420353785.db2.gz SLQIATFKZBBFID-OLZOCXBDSA-N 2 2 267.373 -0.129 20 0 CBADLP CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1c[nH+]c(C)n1C ZINC000657606552 420360614 /nfs/dbraw/zinc/36/06/14/420360614.db2.gz VCXLUMMGIWBHRV-WDEREUQCSA-N 2 2 273.358 -0.370 20 0 CBADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH+]1CCN(c2nncn2C)CC1 ZINC000656199802 420302398 /nfs/dbraw/zinc/30/23/98/420302398.db2.gz DRZVVDAVJAYQRM-CHWSQXEVSA-N 2 2 294.403 -0.296 20 0 CBADLP C[C@H](O)CNc1cc(N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)nc[nH+]1 ZINC000656218600 420305034 /nfs/dbraw/zinc/30/50/34/420305034.db2.gz CRUZJVJGZKEOQY-SDDRHHMPSA-N 2 2 293.371 -0.476 20 0 CBADLP C[C@H](O)CNc1cc(N2CC[N@H+]3C[C@H](O)C[C@H]3C2)nc[nH+]1 ZINC000656218600 420305038 /nfs/dbraw/zinc/30/50/38/420305038.db2.gz CRUZJVJGZKEOQY-SDDRHHMPSA-N 2 2 293.371 -0.476 20 0 CBADLP Cc1cc(NC(=O)NC[C@H]2C[NH2+]CCN2C)cc[nH+]1 ZINC000517223602 420373447 /nfs/dbraw/zinc/37/34/47/420373447.db2.gz VBKIYWLIYSOKHR-GFCCVEGCSA-N 2 2 263.345 -0.163 20 0 CBADLP Cc1cc(NC(=O)NC[C@@H]2C[NH2+]CCN2C)cc[nH+]1 ZINC000517223603 420374679 /nfs/dbraw/zinc/37/46/79/420374679.db2.gz VBKIYWLIYSOKHR-LBPRGKRZSA-N 2 2 263.345 -0.163 20 0 CBADLP C[C@H](O)C[NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000519638936 420383462 /nfs/dbraw/zinc/38/34/62/420383462.db2.gz HHOVSMMMFHVPHZ-WDEREUQCSA-N 2 2 266.345 -0.119 20 0 CBADLP Cn1ccc(C[NH2+][C@H]2CC(=O)N(CC[NH+](C)C)C2=O)n1 ZINC000519642900 420383521 /nfs/dbraw/zinc/38/35/21/420383521.db2.gz AXKUQNPTXWDMQZ-NSHDSACASA-N 2 2 279.344 -0.801 20 0 CBADLP CCN(C(=O)C(=O)N1CC[NH+](C)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000658806593 420388132 /nfs/dbraw/zinc/38/81/32/420388132.db2.gz HJWVLUQEIXJZQP-GFCCVEGCSA-N 2 2 282.388 -0.687 20 0 CBADLP CCN(C(=O)C(=O)N1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000658806593 420388137 /nfs/dbraw/zinc/38/81/37/420388137.db2.gz HJWVLUQEIXJZQP-GFCCVEGCSA-N 2 2 282.388 -0.687 20 0 CBADLP C[C@H](CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])Cn1cccn1 ZINC000519753404 420388678 /nfs/dbraw/zinc/38/86/78/420388678.db2.gz MGAIBMYALNAGNA-CHWSQXEVSA-N 2 2 294.403 -0.197 20 0 CBADLP C[C@H](CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])Cn1cccn1 ZINC000519753404 420388682 /nfs/dbraw/zinc/38/86/82/420388682.db2.gz MGAIBMYALNAGNA-CHWSQXEVSA-N 2 2 294.403 -0.197 20 0 CBADLP CCN(C(=O)C(=O)N(C)Cc1c[nH+]c[nH]1)[C@H]1CC[N@H+](C)C1 ZINC000658801744 420389133 /nfs/dbraw/zinc/38/91/33/420389133.db2.gz FQGTXKICIHJEHL-LBPRGKRZSA-N 2 2 293.371 -0.079 20 0 CBADLP CCN(C(=O)C(=O)N(C)Cc1c[nH+]c[nH]1)[C@H]1CC[N@@H+](C)C1 ZINC000658801744 420389136 /nfs/dbraw/zinc/38/91/36/420389136.db2.gz FQGTXKICIHJEHL-LBPRGKRZSA-N 2 2 293.371 -0.079 20 0 CBADLP CCN(C(=O)C(=O)N(C)Cc1c[nH]c[nH+]1)[C@H]1CC[N@H+](C)C1 ZINC000658801744 420389137 /nfs/dbraw/zinc/38/91/37/420389137.db2.gz FQGTXKICIHJEHL-LBPRGKRZSA-N 2 2 293.371 -0.079 20 0 CBADLP CCN(C(=O)C(=O)N(C)Cc1c[nH]c[nH+]1)[C@H]1CC[N@@H+](C)C1 ZINC000658801744 420389141 /nfs/dbraw/zinc/38/91/41/420389141.db2.gz FQGTXKICIHJEHL-LBPRGKRZSA-N 2 2 293.371 -0.079 20 0 CBADLP CCN(C(=O)C(=O)N1CC[NH+](CC)CC1)[C@H]1CC[N@H+](C)C1 ZINC000658807492 420389450 /nfs/dbraw/zinc/38/94/50/420389450.db2.gz ORDWLRKUZGXHER-ZDUSSCGKSA-N 2 2 296.415 -0.297 20 0 CBADLP CCN(C(=O)C(=O)N1CC[NH+](CC)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000658807492 420389455 /nfs/dbraw/zinc/38/94/55/420389455.db2.gz ORDWLRKUZGXHER-ZDUSSCGKSA-N 2 2 296.415 -0.297 20 0 CBADLP C[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000659086257 420397242 /nfs/dbraw/zinc/39/72/42/420397242.db2.gz TXKYECUTVJRZMR-MRVPVSSYSA-N 2 2 261.285 -0.264 20 0 CBADLP C(C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)OCC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000674232083 544899819 /nfs/dbraw/zinc/89/98/19/544899819.db2.gz OLSGZWARNHIAMV-FPCVCCKLSA-N 4 2 294.443 -0.695 20 0 CBADLP C(C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)OCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000674232083 544899823 /nfs/dbraw/zinc/89/98/23/544899823.db2.gz OLSGZWARNHIAMV-FPCVCCKLSA-N 4 2 294.443 -0.695 20 0 CBADLP CC[NH+]1CCN(CC(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000676348053 544948572 /nfs/dbraw/zinc/94/85/72/544948572.db2.gz NTASWKLVUWYSGJ-ZIAGYGMSSA-N 2 2 298.431 -0.541 20 0 CBADLP CC[NH+]1CCN(CC(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000676348053 544948576 /nfs/dbraw/zinc/94/85/76/544948576.db2.gz NTASWKLVUWYSGJ-ZIAGYGMSSA-N 2 2 298.431 -0.541 20 0 CBADLP C[C@@H](NC(=O)CN1CC[NH+](C)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000676346633 544948728 /nfs/dbraw/zinc/94/87/28/544948728.db2.gz COTQICNFRDWATR-OLZOCXBDSA-N 2 2 284.404 -0.931 20 0 CBADLP C[C@@H](NC(=O)CN1CC[NH+](C)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676346633 544948732 /nfs/dbraw/zinc/94/87/32/544948732.db2.gz COTQICNFRDWATR-OLZOCXBDSA-N 2 2 284.404 -0.931 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000676344921 544949028 /nfs/dbraw/zinc/94/90/28/544949028.db2.gz UUCUTBWJPXTIRY-KGLIPLIRSA-N 2 2 297.399 -0.314 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3nnc[nH]3)C2)CC1 ZINC000676529139 544953247 /nfs/dbraw/zinc/95/32/47/544953247.db2.gz SZWLNNWQOUDJMY-JTQLQIEISA-N 2 2 278.360 -0.297 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3nnc[nH]3)C2)CC1 ZINC000676529139 544953252 /nfs/dbraw/zinc/95/32/52/544953252.db2.gz SZWLNNWQOUDJMY-JTQLQIEISA-N 2 2 278.360 -0.297 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+]C2CCC(O)CC2)CC1 ZINC000674753838 544914408 /nfs/dbraw/zinc/91/44/08/544914408.db2.gz QPKJVGWJYAZZBF-UHFFFAOYSA-N 2 2 255.362 -0.347 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659451025 420420262 /nfs/dbraw/zinc/42/02/62/420420262.db2.gz LNFBBKGOUACQLR-LKSINWNRSA-N 2 2 282.388 -0.242 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659451025 420420264 /nfs/dbraw/zinc/42/02/64/420420264.db2.gz LNFBBKGOUACQLR-LKSINWNRSA-N 2 2 282.388 -0.242 20 0 CBADLP C[NH2+]C[C@@H](C)NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000659453586 420420685 /nfs/dbraw/zinc/42/06/85/420420685.db2.gz OFCLFULUXJPYHK-GHMZBOCLSA-N 2 2 257.382 -0.861 20 0 CBADLP C[NH2+]C[C@@H](C)NC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000659453586 420420687 /nfs/dbraw/zinc/42/06/87/420420687.db2.gz OFCLFULUXJPYHK-GHMZBOCLSA-N 2 2 257.382 -0.861 20 0 CBADLP CC[N@@H+]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C[C@@H]1C ZINC000677171612 544969267 /nfs/dbraw/zinc/96/92/67/544969267.db2.gz BRCNRPLZZCHZAQ-NWDGAFQWSA-N 2 2 255.362 -0.130 20 0 CBADLP CC[N@H+]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C[C@@H]1C ZINC000677171612 544969271 /nfs/dbraw/zinc/96/92/71/544969271.db2.gz BRCNRPLZZCHZAQ-NWDGAFQWSA-N 2 2 255.362 -0.130 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@@H]1C ZINC000677171612 544969273 /nfs/dbraw/zinc/96/92/73/544969273.db2.gz BRCNRPLZZCHZAQ-NWDGAFQWSA-N 2 2 255.362 -0.130 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@@H]1C ZINC000677171612 544969278 /nfs/dbraw/zinc/96/92/78/544969278.db2.gz BRCNRPLZZCHZAQ-NWDGAFQWSA-N 2 2 255.362 -0.130 20 0 CBADLP O=C(NC1CC[NH2+]CC1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659504377 420423952 /nfs/dbraw/zinc/42/39/52/420423952.db2.gz BKRDSQDRKFVTRA-CYBMUJFWSA-N 2 2 282.388 -0.146 20 0 CBADLP CC[N@@H+]1CCN(C(=O)CN2CC[NH+](C)CC2)C[C@@H]1C ZINC000677184677 544970885 /nfs/dbraw/zinc/97/08/85/544970885.db2.gz RZQBPOWJGKDBDT-ZDUSSCGKSA-N 2 2 268.405 -0.214 20 0 CBADLP CC[N@H+]1CCN(C(=O)CN2CC[NH+](C)CC2)C[C@@H]1C ZINC000677184677 544970886 /nfs/dbraw/zinc/97/08/86/544970886.db2.gz RZQBPOWJGKDBDT-ZDUSSCGKSA-N 2 2 268.405 -0.214 20 0 CBADLP C[C@@H](C(=O)N1CC[NH+]([C@H]2CCOC2)CC1)[C@H](C)[NH3+] ZINC000659358674 420416149 /nfs/dbraw/zinc/41/61/49/420416149.db2.gz SOTJOXQCVKNWHK-WOPDTQHZSA-N 2 2 255.362 -0.097 20 0 CBADLP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659358672 420416307 /nfs/dbraw/zinc/41/63/07/420416307.db2.gz SOTJOXQCVKNWHK-SRVKXCTJSA-N 2 2 255.362 -0.097 20 0 CBADLP CC1(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C[NH2+]C1 ZINC000659359012 420416733 /nfs/dbraw/zinc/41/67/33/420416733.db2.gz VPJATPPIJABNCL-LLVKDONJSA-N 2 2 253.346 -0.471 20 0 CBADLP CCn1cc(CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])nn1 ZINC000659568842 420434578 /nfs/dbraw/zinc/43/45/78/420434578.db2.gz FNFINLIIJUWSNW-LLVKDONJSA-N 2 2 281.364 -0.918 20 0 CBADLP CCn1cc(CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])nn1 ZINC000659568842 420434582 /nfs/dbraw/zinc/43/45/82/420434582.db2.gz FNFINLIIJUWSNW-LLVKDONJSA-N 2 2 281.364 -0.918 20 0 CBADLP O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)NCC12CC(C1)C[NH2+]2 ZINC000659613392 420436964 /nfs/dbraw/zinc/43/69/64/420436964.db2.gz FDBBJFHXPIYWRX-WZSRBFQBSA-N 2 2 294.399 -0.099 20 0 CBADLP O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)NCC12CC(C1)C[NH2+]2 ZINC000659613392 420436969 /nfs/dbraw/zinc/43/69/69/420436969.db2.gz FDBBJFHXPIYWRX-WZSRBFQBSA-N 2 2 294.399 -0.099 20 0 CBADLP C[N@H+](CCn1cc[nH+]c1)CCN1CCCS1(=O)=O ZINC000677984832 545010406 /nfs/dbraw/zinc/01/04/06/545010406.db2.gz RSJXHXNOTKAVIM-UHFFFAOYSA-N 2 2 272.374 -0.150 20 0 CBADLP C[N@@H+](CCn1cc[nH+]c1)CCN1CCCS1(=O)=O ZINC000677984832 545010407 /nfs/dbraw/zinc/01/04/07/545010407.db2.gz RSJXHXNOTKAVIM-UHFFFAOYSA-N 2 2 272.374 -0.150 20 0 CBADLP C[NH+](C)CC(=O)NCC1(NC(=O)C[NH+](C)C)CCC1 ZINC000356911662 230240433 /nfs/dbraw/zinc/24/04/33/230240433.db2.gz FJJDCZYEALLJTH-UHFFFAOYSA-N 2 2 270.377 -0.735 20 0 CBADLP NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+](CCCO)CC1 ZINC000678079944 545012820 /nfs/dbraw/zinc/01/28/20/545012820.db2.gz IIGHABXBZVCLLV-GFCCVEGCSA-N 2 2 255.362 -0.217 20 0 CBADLP NC(=O)[C@H]1CCC[N@H+]1C1CC[NH+](CCCO)CC1 ZINC000678079944 545012821 /nfs/dbraw/zinc/01/28/21/545012821.db2.gz IIGHABXBZVCLLV-GFCCVEGCSA-N 2 2 255.362 -0.217 20 0 CBADLP CC(=O)NCCC[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000678081993 545013081 /nfs/dbraw/zinc/01/30/81/545013081.db2.gz ZZEWKZKJUNXTKM-AWEZNQCLSA-N 2 2 296.415 -0.073 20 0 CBADLP CC(=O)NCCC[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000678081993 545013083 /nfs/dbraw/zinc/01/30/83/545013083.db2.gz ZZEWKZKJUNXTKM-AWEZNQCLSA-N 2 2 296.415 -0.073 20 0 CBADLP [NH3+]C[C@@H](NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)C1CC1 ZINC000659518931 420426542 /nfs/dbraw/zinc/42/65/42/420426542.db2.gz LBPMGGNLKMLZQK-CHWSQXEVSA-N 2 2 282.388 -0.160 20 0 CBADLP C[NH+]1CCN(C(=O)CN2CC[NH+](C(C)(C)CO)CC2)CC1 ZINC000678521233 545018811 /nfs/dbraw/zinc/01/88/11/545018811.db2.gz AWGDQTXGVCRIEW-UHFFFAOYSA-N 2 2 298.431 -0.851 20 0 CBADLP O=C(NC[C@@H]1CCC[NH2+]1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659515105 420427445 /nfs/dbraw/zinc/42/74/45/420427445.db2.gz HTUIIVHBNGUVCJ-QWHCGFSZSA-N 2 2 282.388 -0.146 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N(C)CCC[NH+](C)C ZINC000678866945 545021733 /nfs/dbraw/zinc/02/17/33/545021733.db2.gz GXSQERASFJPOSA-UHFFFAOYSA-N 2 2 286.420 -0.147 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N(C)CCC[NH+](C)C ZINC000678866945 545021735 /nfs/dbraw/zinc/02/17/35/545021735.db2.gz GXSQERASFJPOSA-UHFFFAOYSA-N 2 2 286.420 -0.147 20 0 CBADLP C[C@@H](C[NH3+])CNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659527910 420428422 /nfs/dbraw/zinc/42/84/22/420428422.db2.gz XXIDCWYMRGODOE-NWDGAFQWSA-N 2 2 270.377 -0.303 20 0 CBADLP C[C@@H](C[NH3+])CNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659527912 420428891 /nfs/dbraw/zinc/42/88/91/420428891.db2.gz XXIDCWYMRGODOE-RYUDHWBXSA-N 2 2 270.377 -0.303 20 0 CBADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1N1CC[NH+](CCO)CC1 ZINC000377026236 230271189 /nfs/dbraw/zinc/27/11/89/230271189.db2.gz AHMHKAJTQTUKHJ-GJZGRUSLSA-N 2 2 298.431 -0.694 20 0 CBADLP C[C@H](C[NH3+])NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659531530 420430493 /nfs/dbraw/zinc/43/04/93/420430493.db2.gz XABZGHUFWPWJRO-GHMZBOCLSA-N 2 2 256.350 -0.550 20 0 CBADLP CC[C@H]([NH3+])CNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659552275 420432328 /nfs/dbraw/zinc/43/23/28/420432328.db2.gz WXNMYJFNIKJQNB-RYUDHWBXSA-N 2 2 270.377 -0.160 20 0 CBADLP C[C@@H](NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)[C@H](C)[NH3+] ZINC000659552493 420432907 /nfs/dbraw/zinc/43/29/07/420432907.db2.gz ZGLLFXZLXLSXQG-QJPTWQEYSA-N 2 2 270.377 -0.162 20 0 CBADLP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000659750634 420467273 /nfs/dbraw/zinc/46/72/73/420467273.db2.gz HJRSDIWMNUPQFP-SECBINFHSA-N 2 2 279.344 -0.742 20 0 CBADLP C[C@H](O)CNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000683417618 545064756 /nfs/dbraw/zinc/06/47/56/545064756.db2.gz BINFDUCRMSQCOG-RYUDHWBXSA-N 2 2 284.404 -0.165 20 0 CBADLP C[C@H](O)CNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000683417618 545064757 /nfs/dbraw/zinc/06/47/57/545064757.db2.gz BINFDUCRMSQCOG-RYUDHWBXSA-N 2 2 284.404 -0.165 20 0 CBADLP C[C@H]([C@H](C)NC(=O)[C@@]1(F)CC[NH2+]C1)[NH+]1CCOCC1 ZINC000378209086 230317292 /nfs/dbraw/zinc/31/72/92/230317292.db2.gz XEMMFZFLDJLAPW-DMDPSCGWSA-N 2 2 273.352 -0.087 20 0 CBADLP CN(C)[C@@H](C(=O)NC[C@@](C)(O)C[NH+](C)C)c1c[nH+]cn1C ZINC000684834577 545077129 /nfs/dbraw/zinc/07/71/29/545077129.db2.gz BAUOFWZQYNXLCL-TZMCWYRMSA-N 2 2 297.403 -0.548 20 0 CBADLP CC[N@H+](CCO)CC[NH2+]C[C@@H]1CNc2ccnn2C1 ZINC000684196132 545072846 /nfs/dbraw/zinc/07/28/46/545072846.db2.gz MSZFDSVGJMWDCL-GFCCVEGCSA-N 2 2 267.377 -0.171 20 0 CBADLP CC[N@@H+](CCO)CC[NH2+]C[C@@H]1CNc2ccnn2C1 ZINC000684196132 545072847 /nfs/dbraw/zinc/07/28/47/545072847.db2.gz MSZFDSVGJMWDCL-GFCCVEGCSA-N 2 2 267.377 -0.171 20 0 CBADLP C[NH+]1CCN(CC(=O)N2CC[N@H+](CCO)C(C)(C)C2)CC1 ZINC000682009349 545053476 /nfs/dbraw/zinc/05/34/76/545053476.db2.gz VFSKWSXNRURAMQ-UHFFFAOYSA-N 2 2 298.431 -0.851 20 0 CBADLP C[NH+]1CCN(CC(=O)N2CC[N@@H+](CCO)C(C)(C)C2)CC1 ZINC000682009349 545053478 /nfs/dbraw/zinc/05/34/78/545053478.db2.gz VFSKWSXNRURAMQ-UHFFFAOYSA-N 2 2 298.431 -0.851 20 0 CBADLP C[C@@H](O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000682501007 545056915 /nfs/dbraw/zinc/05/69/15/545056915.db2.gz ZMLBUPUWRCOHLE-DGCLKSJQSA-N 2 2 269.389 -0.006 20 0 CBADLP C[C@@H](O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000682501007 545056916 /nfs/dbraw/zinc/05/69/16/545056916.db2.gz ZMLBUPUWRCOHLE-DGCLKSJQSA-N 2 2 269.389 -0.006 20 0 CBADLP C[NH2+][C@@H](C)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000565212365 420441136 /nfs/dbraw/zinc/44/11/36/420441136.db2.gz HJFLEODEOJVNMB-NSHDSACASA-N 2 2 281.360 -0.238 20 0 CBADLP C[NH2+]C[C@@H](C)NC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000659636243 420441886 /nfs/dbraw/zinc/44/18/86/420441886.db2.gz VCMSDPBKPZLLBJ-NEPJUHHUSA-N 2 2 272.393 -0.044 20 0 CBADLP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccnc(N)c1 ZINC000566244650 420444179 /nfs/dbraw/zinc/44/41/79/420444179.db2.gz LEJXGNIEQPMZMG-UHFFFAOYSA-N 2 2 263.345 -0.473 20 0 CBADLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccnc(N)c1 ZINC000566244650 420444182 /nfs/dbraw/zinc/44/41/82/420444182.db2.gz LEJXGNIEQPMZMG-UHFFFAOYSA-N 2 2 263.345 -0.473 20 0 CBADLP Cn1c[nH+]c(CCNC(=O)C(=O)NCC2([NH3+])CCCC2)c1 ZINC000659680836 420447829 /nfs/dbraw/zinc/44/78/29/420447829.db2.gz BECBVZLPHAZPMH-UHFFFAOYSA-N 2 2 293.371 -0.534 20 0 CBADLP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000659693002 420450087 /nfs/dbraw/zinc/45/00/87/420450087.db2.gz CYUXYJIMHKHTEY-SNVBAGLBSA-N 2 2 289.339 -0.325 20 0 CBADLP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NCc1[nH+]ccn1C ZINC000659705182 420452518 /nfs/dbraw/zinc/45/25/18/420452518.db2.gz WFYAQHAXVYMJDE-SNVBAGLBSA-N 2 2 281.360 -0.474 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659705304 420453371 /nfs/dbraw/zinc/45/33/71/420453371.db2.gz XPOIQCSMJGPHDH-CDWSIMAYSA-N 2 2 291.355 -0.744 20 0 CBADLP CN(Cc1[nH+]ccn1C)C(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659731812 420460746 /nfs/dbraw/zinc/46/07/46/420460746.db2.gz DRMKGBFEPPVULI-UHFFFAOYSA-N 2 2 293.371 -0.234 20 0 CBADLP CN1CC(=O)N(CC[NH+]2CCC([NH+](C)C)CC2)C1=O ZINC000659839328 420474491 /nfs/dbraw/zinc/47/44/91/420474491.db2.gz UWPDCZLHOZCPOW-UHFFFAOYSA-N 2 2 268.361 -0.094 20 0 CBADLP O=C(C[NH+]1CCCC1)N1CC[NH+](CCc2cn[nH]n2)CC1 ZINC000659876443 420476034 /nfs/dbraw/zinc/47/60/34/420476034.db2.gz BJONOVUJFWXTJN-UHFFFAOYSA-N 2 2 292.387 -0.413 20 0 CBADLP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@H](CO)c1cnn(C)c1 ZINC000660271654 420488091 /nfs/dbraw/zinc/48/80/91/420488091.db2.gz ZWBMTZJDPGDESN-CHWSQXEVSA-N 2 2 270.377 -0.256 20 0 CBADLP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@H](CO)c1cnn(C)c1 ZINC000660271654 420488093 /nfs/dbraw/zinc/48/80/93/420488093.db2.gz ZWBMTZJDPGDESN-CHWSQXEVSA-N 2 2 270.377 -0.256 20 0 CBADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](CO)[C@H](O)C1 ZINC000660395543 420490362 /nfs/dbraw/zinc/49/03/62/420490362.db2.gz KFMSBKOFOSCWDZ-FRRDWIJNSA-N 2 2 260.378 -0.637 20 0 CBADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](CO)[C@H](O)C1 ZINC000660395543 420490363 /nfs/dbraw/zinc/49/03/63/420490363.db2.gz KFMSBKOFOSCWDZ-FRRDWIJNSA-N 2 2 260.378 -0.637 20 0 CBADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000660395543 420490365 /nfs/dbraw/zinc/49/03/65/420490365.db2.gz KFMSBKOFOSCWDZ-FRRDWIJNSA-N 2 2 260.378 -0.637 20 0 CBADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000660395543 420490367 /nfs/dbraw/zinc/49/03/67/420490367.db2.gz KFMSBKOFOSCWDZ-FRRDWIJNSA-N 2 2 260.378 -0.637 20 0 CBADLP C[NH2+][C@@H](C)C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000517245827 260130757 /nfs/dbraw/zinc/13/07/57/260130757.db2.gz COCLJMBQSATVGR-LBPRGKRZSA-N 2 2 292.387 -0.677 20 0 CBADLP C[NH2+][C@H](C)C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000517245826 260130797 /nfs/dbraw/zinc/13/07/97/260130797.db2.gz COCLJMBQSATVGR-GFCCVEGCSA-N 2 2 292.387 -0.677 20 0 CBADLP CC(C)[C@](C)(C[NH3+])[NH2+]CCC(=O)N1CC[NH2+]CC1 ZINC000517937580 260321947 /nfs/dbraw/zinc/32/19/47/260321947.db2.gz YGIIMYWGYSMFKN-ZDUSSCGKSA-N 3 2 256.394 -0.229 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)c2ccnc(C[NH3+])c2)CCO1 ZINC000518379772 260392634 /nfs/dbraw/zinc/39/26/34/260392634.db2.gz MQWUREOXHFPEJZ-LLVKDONJSA-N 2 2 278.356 -0.009 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)c2ccnc(C[NH3+])c2)CCO1 ZINC000518379772 260392636 /nfs/dbraw/zinc/39/26/36/260392636.db2.gz MQWUREOXHFPEJZ-LLVKDONJSA-N 2 2 278.356 -0.009 20 0 CBADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCC(=O)NC(N)=O ZINC000521029407 262170653 /nfs/dbraw/zinc/17/06/53/262170653.db2.gz DFSWFUJQBXFWFI-PSASIEDQSA-N 2 2 254.334 -0.356 20 0 CBADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCC(=O)NC(N)=O ZINC000521029407 262170655 /nfs/dbraw/zinc/17/06/55/262170655.db2.gz DFSWFUJQBXFWFI-PSASIEDQSA-N 2 2 254.334 -0.356 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(CC(N)=O)CC1 ZINC000311002933 262188184 /nfs/dbraw/zinc/18/81/84/262188184.db2.gz IRNBWJZMBSDPKX-GFCCVEGCSA-N 2 2 257.378 -0.114 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(CC(N)=O)CC1 ZINC000311002933 262188185 /nfs/dbraw/zinc/18/81/85/262188185.db2.gz IRNBWJZMBSDPKX-GFCCVEGCSA-N 2 2 257.378 -0.114 20 0 CBADLP C[C@H](CNC(=O)CN1CC[NH2+]CC1=O)Cn1cc[nH+]c1 ZINC000237403898 262630162 /nfs/dbraw/zinc/63/01/62/262630162.db2.gz KRWNDWHTEPPMLK-LLVKDONJSA-N 2 2 279.344 -0.933 20 0 CBADLP C[C@@H](O)C[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000685003704 545079174 /nfs/dbraw/zinc/07/91/74/545079174.db2.gz KYOBFVDXCUPZPC-ZYHUDNBSSA-N 2 2 255.362 -0.219 20 0 CBADLP C[C@@H](O)C[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000685003704 545079175 /nfs/dbraw/zinc/07/91/75/545079175.db2.gz KYOBFVDXCUPZPC-ZYHUDNBSSA-N 2 2 255.362 -0.219 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@]2(C)CC[NH2+]C2)CC1 ZINC000236577364 269577872 /nfs/dbraw/zinc/57/78/72/269577872.db2.gz MMJKFWPIWCBBHQ-CQSZACIVSA-N 2 2 282.388 -0.734 20 0 CBADLP C[NH+](C)CCN1CC[N@H+](C[C@H](O)CC2(O)CCC2)CC1=O ZINC000528533166 269624848 /nfs/dbraw/zinc/62/48/48/269624848.db2.gz GSWFTUFZVGDOID-CYBMUJFWSA-N 2 2 299.415 -0.642 20 0 CBADLP C[NH+](C)CCN1CC[N@@H+](C[C@H](O)CC2(O)CCC2)CC1=O ZINC000528533166 269624850 /nfs/dbraw/zinc/62/48/50/269624850.db2.gz GSWFTUFZVGDOID-CYBMUJFWSA-N 2 2 299.415 -0.642 20 0 CBADLP CC[C@H](C)[C@H](NC(=O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)C(=O)OC ZINC000252453464 287722293 /nfs/dbraw/zinc/72/22/93/287722293.db2.gz LAWYKTVBPUWBOY-MNXVOIDGSA-N 2 2 297.399 -0.159 20 0 CBADLP CC(C)(CNC(=O)C[C@@H]1COCC[NH2+]1)[NH+]1CCOCC1 ZINC000130421719 275860270 /nfs/dbraw/zinc/86/02/70/275860270.db2.gz WIGLBOCTTUUYSD-GFCCVEGCSA-N 2 2 285.388 -0.408 20 0 CBADLP CCN1C(=O)[C@H]2C[N@H+](Cc3c[nH+]cn3C)CCN2C1=O ZINC000371923409 276147977 /nfs/dbraw/zinc/14/79/77/276147977.db2.gz QKIBWJTXWCVCOJ-LLVKDONJSA-N 2 2 277.328 -0.112 20 0 CBADLP CCN1C(=O)[C@H]2C[N@@H+](Cc3c[nH+]cn3C)CCN2C1=O ZINC000371923409 276147978 /nfs/dbraw/zinc/14/79/78/276147978.db2.gz QKIBWJTXWCVCOJ-LLVKDONJSA-N 2 2 277.328 -0.112 20 0 CBADLP CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3COCC[NH2+]3)C2)CC1 ZINC000424173556 276197775 /nfs/dbraw/zinc/19/77/75/276197775.db2.gz LGGDZVCYSWQWQD-ZIAGYGMSSA-N 2 2 296.415 -0.787 20 0 CBADLP CC[NH+]1CCN([C@H]2CC[N@H+](CC(=O)OC)C2)CC1 ZINC000107368472 276200769 /nfs/dbraw/zinc/20/07/69/276200769.db2.gz UUOBDJDGMATKFC-LBPRGKRZSA-N 2 2 255.362 -0.129 20 0 CBADLP CC[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)OC)C2)CC1 ZINC000107368472 276200771 /nfs/dbraw/zinc/20/07/71/276200771.db2.gz UUOBDJDGMATKFC-LBPRGKRZSA-N 2 2 255.362 -0.129 20 0 CBADLP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000246061872 276365582 /nfs/dbraw/zinc/36/55/82/276365582.db2.gz BFSPSJRGAYJWGT-KBPBESRZSA-N 2 2 280.416 -0.023 20 0 CBADLP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000246061872 276365584 /nfs/dbraw/zinc/36/55/84/276365584.db2.gz BFSPSJRGAYJWGT-KBPBESRZSA-N 2 2 280.416 -0.023 20 0 CBADLP C[C@H]1CC(=O)NCC[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000685570002 545081881 /nfs/dbraw/zinc/08/18/81/545081881.db2.gz SISNAYVKLUDWCZ-JQWIXIFHSA-N 2 2 255.362 -0.348 20 0 CBADLP C[C@H]1CC(=O)NCC[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000685570002 545081882 /nfs/dbraw/zinc/08/18/82/545081882.db2.gz SISNAYVKLUDWCZ-JQWIXIFHSA-N 2 2 255.362 -0.348 20 0 CBADLP C[C@H]1CC(=O)NCC[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000685570002 545081883 /nfs/dbraw/zinc/08/18/83/545081883.db2.gz SISNAYVKLUDWCZ-JQWIXIFHSA-N 2 2 255.362 -0.348 20 0 CBADLP C[C@H]1CC(=O)NCC[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000685570002 545081884 /nfs/dbraw/zinc/08/18/84/545081884.db2.gz SISNAYVKLUDWCZ-JQWIXIFHSA-N 2 2 255.362 -0.348 20 0 CBADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)C(C)(C)n1cncn1 ZINC000685645702 545082632 /nfs/dbraw/zinc/08/26/32/545082632.db2.gz DZDAZNJPZPPNFJ-LBPRGKRZSA-N 2 2 294.403 -0.235 20 0 CBADLP CN1CC[C@@H]([N@H+](C)C2CC[NH+](CCO)CC2)C1=O ZINC000341476349 277001448 /nfs/dbraw/zinc/00/14/48/277001448.db2.gz CJCQHVDSLIWDBM-GFCCVEGCSA-N 2 2 255.362 -0.394 20 0 CBADLP CN1CC[C@@H]([N@@H+](C)C2CC[NH+](CCO)CC2)C1=O ZINC000341476349 277001449 /nfs/dbraw/zinc/00/14/49/277001449.db2.gz CJCQHVDSLIWDBM-GFCCVEGCSA-N 2 2 255.362 -0.394 20 0 CBADLP COC(=O)C[C@]1([NH2+]C[C@H](O)C[N@H+](C)C2CC2)CCOC1 ZINC000351597509 277069756 /nfs/dbraw/zinc/06/97/56/277069756.db2.gz BAVMGPJNTUHSGH-GXTWGEPZSA-N 2 2 286.372 -0.247 20 0 CBADLP COC(=O)C[C@]1([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)CCOC1 ZINC000351597509 277069758 /nfs/dbraw/zinc/06/97/58/277069758.db2.gz BAVMGPJNTUHSGH-GXTWGEPZSA-N 2 2 286.372 -0.247 20 0 CBADLP C[N@@H+]1CCO[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@@H]21 ZINC000366454785 277122715 /nfs/dbraw/zinc/12/27/15/277122715.db2.gz QPWVGSQJZJBTTK-MELADBBJSA-N 2 2 279.384 -0.130 20 0 CBADLP C[N@H+]1CCO[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@@H]21 ZINC000366454785 277122716 /nfs/dbraw/zinc/12/27/16/277122716.db2.gz QPWVGSQJZJBTTK-MELADBBJSA-N 2 2 279.384 -0.130 20 0 CBADLP CN1CC[C@@H]([N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)C1=O ZINC000129496014 277135843 /nfs/dbraw/zinc/13/58/43/277135843.db2.gz KGSWDWSLINURRB-CHWSQXEVSA-N 2 2 267.373 -0.129 20 0 CBADLP CN1CC[C@@H]([N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)C1=O ZINC000129496014 277135844 /nfs/dbraw/zinc/13/58/44/277135844.db2.gz KGSWDWSLINURRB-CHWSQXEVSA-N 2 2 267.373 -0.129 20 0 CBADLP C[N@@H+]1CC[C@@](O)(CNC(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492858460 277158450 /nfs/dbraw/zinc/15/84/50/277158450.db2.gz LIOJBOBRHNUVBT-QAVQXKDTSA-N 2 2 250.302 -0.394 20 0 CBADLP C[N@H+]1CC[C@@](O)(CNC(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492858460 277158451 /nfs/dbraw/zinc/15/84/51/277158451.db2.gz LIOJBOBRHNUVBT-QAVQXKDTSA-N 2 2 250.302 -0.394 20 0 CBADLP COC(=O)[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)C[NH2+]1 ZINC000365671749 277407691 /nfs/dbraw/zinc/40/76/91/277407691.db2.gz FOXJASYAAWOOEY-RXGFPQBGSA-N 2 2 295.383 -0.073 20 0 CBADLP CC(C)[C@H]([NH3+])C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000353173154 277903233 /nfs/dbraw/zinc/90/32/33/277903233.db2.gz MNAYUIBGXSALRI-JTQLQIEISA-N 2 2 270.377 -0.622 20 0 CBADLP CC(C)[C@H]([NH3+])C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000062976706 277903813 /nfs/dbraw/zinc/90/38/13/277903813.db2.gz DOCKVXOUGXOVST-NEPJUHHUSA-N 2 2 255.362 -0.097 20 0 CBADLP C[C@@H]1C[C@H](C)CN(C(=O)C[N@H+](C)C[C@@H](O)C[NH3+])C1 ZINC000336795401 278000879 /nfs/dbraw/zinc/00/08/79/278000879.db2.gz KHDYJFBXOXHYRO-TUAOUCFPSA-N 2 2 257.378 -0.258 20 0 CBADLP C[C@@H]1C[C@H](C)CN(C(=O)C[N@@H+](C)C[C@@H](O)C[NH3+])C1 ZINC000336795401 278000880 /nfs/dbraw/zinc/00/08/80/278000880.db2.gz KHDYJFBXOXHYRO-TUAOUCFPSA-N 2 2 257.378 -0.258 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CCC[N@@H+]1C ZINC000345301551 278084468 /nfs/dbraw/zinc/08/44/68/278084468.db2.gz SVILVGTWJHJCSP-WOPDTQHZSA-N 2 2 255.362 -0.084 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CCC[N@H+]1C ZINC000345301551 278084469 /nfs/dbraw/zinc/08/44/69/278084469.db2.gz SVILVGTWJHJCSP-WOPDTQHZSA-N 2 2 255.362 -0.084 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CCC[NH+]1C ZINC000345301551 278084470 /nfs/dbraw/zinc/08/44/70/278084470.db2.gz SVILVGTWJHJCSP-WOPDTQHZSA-N 2 2 255.362 -0.084 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CCC[NH+]1C ZINC000345301551 278084471 /nfs/dbraw/zinc/08/44/71/278084471.db2.gz SVILVGTWJHJCSP-WOPDTQHZSA-N 2 2 255.362 -0.084 20 0 CBADLP CSCC[C@H]([NH3+])C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000062976689 278132411 /nfs/dbraw/zinc/13/24/11/278132411.db2.gz PDRZFRMGNQXGTF-RYUDHWBXSA-N 2 2 287.429 0.000 20 0 CBADLP CSCC[C@H]([NH3+])C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000182679203 278132771 /nfs/dbraw/zinc/13/27/71/278132771.db2.gz MKLYMCKBEUWBGW-MNOVXSKESA-N 2 2 272.418 -0.817 20 0 CBADLP CC(=O)N[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@@](C)(C[NH3+])C2)C1 ZINC000261721889 278177668 /nfs/dbraw/zinc/17/76/68/278177668.db2.gz NNIVQCCLNJJQCS-ZFWWWQNUSA-N 2 2 296.415 -0.216 20 0 CBADLP CC(=O)N[C@H]1CCCN(C(=O)C[N@H+]2CC[C@@](C)(C[NH3+])C2)C1 ZINC000261721889 278177669 /nfs/dbraw/zinc/17/76/69/278177669.db2.gz NNIVQCCLNJJQCS-ZFWWWQNUSA-N 2 2 296.415 -0.216 20 0 CBADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1cn(C)c(=O)n(C)c1=O ZINC000347019966 278313200 /nfs/dbraw/zinc/31/32/00/278313200.db2.gz MMRUCAVNXVVUBF-PWSUYJOCSA-N 2 2 280.372 -0.214 20 0 CBADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1cn(C)c(=O)n(C)c1=O ZINC000347019966 278313201 /nfs/dbraw/zinc/31/32/01/278313201.db2.gz MMRUCAVNXVVUBF-PWSUYJOCSA-N 2 2 280.372 -0.214 20 0 CBADLP C[C@H]1CCCN(C(=O)C(=O)N2CC[NH+](C)CC2)[C@@H]1C[NH3+] ZINC000423741825 278338567 /nfs/dbraw/zinc/33/85/67/278338567.db2.gz TYZJOAQGAOIWKJ-NWDGAFQWSA-N 2 2 282.388 -0.654 20 0 CBADLP CC[C@H]([NH2+]CCS(=O)(=O)N(C)C)[C@@H]1CCC[NH2+]1 ZINC000423143621 288041929 /nfs/dbraw/zinc/04/19/29/288041929.db2.gz XOWHFZTYAZPFHU-QWRGUYRKSA-N 2 2 263.407 -0.002 20 0 CBADLP CC(C)(C)[C@H]([NH3+])C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000430801987 278525963 /nfs/dbraw/zinc/52/59/63/278525963.db2.gz ITFOZQOCHORNBT-SNVBAGLBSA-N 2 2 284.404 -0.232 20 0 CBADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC000342688946 288122670 /nfs/dbraw/zinc/12/26/70/288122670.db2.gz QYDKMTICNDFGFC-KGYLQXTDSA-N 2 2 267.373 -0.084 20 0 CBADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC000342688946 288122672 /nfs/dbraw/zinc/12/26/72/288122672.db2.gz QYDKMTICNDFGFC-KGYLQXTDSA-N 2 2 267.373 -0.084 20 0 CBADLP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000342688946 288122673 /nfs/dbraw/zinc/12/26/73/288122673.db2.gz QYDKMTICNDFGFC-KGYLQXTDSA-N 2 2 267.373 -0.084 20 0 CBADLP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000342688946 288122675 /nfs/dbraw/zinc/12/26/75/288122675.db2.gz QYDKMTICNDFGFC-KGYLQXTDSA-N 2 2 267.373 -0.084 20 0 CBADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1N[C@@H]1C[NH2+]CC[C@H]1C ZINC000423363156 279599661 /nfs/dbraw/zinc/59/96/61/279599661.db2.gz NODRFJGFGHOQIH-WRWGMCAJSA-N 2 2 255.362 -0.132 20 0 CBADLP CC(C)[C@H](CNC(=O)[C@H]1[NH2+]CCO[C@H]1C)[NH+]1CCOCC1 ZINC000344492097 280252440 /nfs/dbraw/zinc/25/24/40/280252440.db2.gz PKKHMKOVLIDLFD-IHRRRGAJSA-N 2 2 299.415 -0.164 20 0 CBADLP CC[C@@H]1CN(C(=O)[C@@H]2COCC[NH2+]2)C[C@H]1[NH+]1CCOCC1 ZINC000424166558 280371002 /nfs/dbraw/zinc/37/10/02/280371002.db2.gz GGFZDYFRFIJQJR-HZSPNIEDSA-N 2 2 297.399 -0.456 20 0 CBADLP CC[C@H]([NH3+])C(=O)N1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000378208496 280873649 /nfs/dbraw/zinc/87/36/49/280873649.db2.gz HCQSLTHAGOVMDW-RYUDHWBXSA-N 2 2 282.388 -0.463 20 0 CBADLP CC1(C)COCC[N@@H+]1CCNC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000430875902 281284587 /nfs/dbraw/zinc/28/45/87/281284587.db2.gz BKMNZOLLFXHNPW-GFCCVEGCSA-N 2 2 285.388 -0.408 20 0 CBADLP CC1(C)COCC[N@H+]1CCNC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000430875902 281284592 /nfs/dbraw/zinc/28/45/92/281284592.db2.gz BKMNZOLLFXHNPW-GFCCVEGCSA-N 2 2 285.388 -0.408 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261774385 288347574 /nfs/dbraw/zinc/34/75/74/288347574.db2.gz MPNKBQWWOGMWKI-UTUOFQBUSA-N 2 2 271.361 -0.670 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261774385 288347575 /nfs/dbraw/zinc/34/75/75/288347575.db2.gz MPNKBQWWOGMWKI-UTUOFQBUSA-N 2 2 271.361 -0.670 20 0 CBADLP C[NH+](C)CC1(NC(=O)[C@@H]2C[N@H+](C)CCO2)CCC1 ZINC000339406168 282077861 /nfs/dbraw/zinc/07/78/61/282077861.db2.gz FOWSIVZVBBCVFJ-NSHDSACASA-N 2 2 255.362 -0.083 20 0 CBADLP C[NH+](C)CC1(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CCC1 ZINC000339406168 282077863 /nfs/dbraw/zinc/07/78/63/282077863.db2.gz FOWSIVZVBBCVFJ-NSHDSACASA-N 2 2 255.362 -0.083 20 0 CBADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000424136971 289068106 /nfs/dbraw/zinc/06/81/06/289068106.db2.gz BLHADFHFGRGRNL-NEPJUHHUSA-N 3 2 254.378 -0.524 20 0 CBADLP C[NH+](C)CC(=O)N1CC[NH+](CC2(O)CCOCC2)CC1 ZINC000156090333 289074372 /nfs/dbraw/zinc/07/43/72/289074372.db2.gz JDIILODEPZVSKL-UHFFFAOYSA-N 2 2 285.388 -0.766 20 0 CBADLP C[NH+](C)CC(=O)N1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000369810465 289074885 /nfs/dbraw/zinc/07/48/85/289074885.db2.gz PUDDGFLEEKBOGK-LBPRGKRZSA-N 2 2 282.388 -0.639 20 0 CBADLP CN(C)S(=O)(=O)CCC[N@H+](C)[C@H](C[NH3+])C1CC1 ZINC000359906097 289234742 /nfs/dbraw/zinc/23/47/42/289234742.db2.gz FBUVMZNYCRBTKO-LLVKDONJSA-N 2 2 263.407 -0.063 20 0 CBADLP CN(C)S(=O)(=O)CCC[N@@H+](C)[C@H](C[NH3+])C1CC1 ZINC000359906097 289234747 /nfs/dbraw/zinc/23/47/47/289234747.db2.gz FBUVMZNYCRBTKO-LLVKDONJSA-N 2 2 263.407 -0.063 20 0 CBADLP C[C@H](C(=O)N(C)C)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000375000032 289242331 /nfs/dbraw/zinc/24/23/31/289242331.db2.gz UTVQLUCUPLYEQG-CYBMUJFWSA-N 2 2 299.415 -0.378 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@@H]1C[NH3+] ZINC000417018083 289616585 /nfs/dbraw/zinc/61/65/85/289616585.db2.gz FBCBHMBYAIQZKC-VXGBXAGGSA-N 2 2 270.377 -0.160 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H](CO)C[NH+]2CCCCC2)C1 ZINC000330607619 290075677 /nfs/dbraw/zinc/07/56/77/290075677.db2.gz LXHNTZNIHUDNSC-CHWSQXEVSA-N 2 2 285.388 -0.720 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H](CO)C[NH+]2CCCCC2)C1 ZINC000330607619 290075680 /nfs/dbraw/zinc/07/56/80/290075680.db2.gz LXHNTZNIHUDNSC-CHWSQXEVSA-N 2 2 285.388 -0.720 20 0 CBADLP C[C@H]([C@H](C)NC(=O)C[C@@H]1C[NH2+]CCO1)[NH+]1CCOCC1 ZINC000167691717 290203066 /nfs/dbraw/zinc/20/30/66/290203066.db2.gz BJVMHAPDGGQOLX-YNEHKIRRSA-N 2 2 285.388 -0.410 20 0 CBADLP CNC(=O)CC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000356205886 290360487 /nfs/dbraw/zinc/36/04/87/290360487.db2.gz PSGVFGJJGWPVIL-UHFFFAOYSA-N 2 2 284.404 -0.393 20 0 CBADLP CNC(=O)CC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000356205886 290360492 /nfs/dbraw/zinc/36/04/92/290360492.db2.gz PSGVFGJJGWPVIL-UHFFFAOYSA-N 2 2 284.404 -0.393 20 0 CBADLP [NH3+]CCC(=O)N1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000378209629 295224652 /nfs/dbraw/zinc/22/46/52/295224652.db2.gz KMUXABGMMKYMKC-NSHDSACASA-N 2 2 268.361 -0.852 20 0 CBADLP [NH3+]C[C@H]1CN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CCO1 ZINC000423540060 295275912 /nfs/dbraw/zinc/27/59/12/295275912.db2.gz PUNGVUQZBSPKTO-UONOGXRCSA-N 2 2 297.399 -0.184 20 0 CBADLP [NH3+]C[C@H]1CN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CCO1 ZINC000423540060 295275913 /nfs/dbraw/zinc/27/59/13/295275913.db2.gz PUNGVUQZBSPKTO-UONOGXRCSA-N 2 2 297.399 -0.184 20 0 CBADLP C[C@H](C(=O)NCC[C@H]1CCC[NH2+]1)[NH+]1CCOCC1 ZINC000444262889 298156138 /nfs/dbraw/zinc/15/61/38/298156138.db2.gz LNVOUFVRHUJZFC-VXGBXAGGSA-N 2 2 255.362 -0.035 20 0 CBADLP C[C@H](NC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)C(=O)N(C)C ZINC000357082793 299056049 /nfs/dbraw/zinc/05/60/49/299056049.db2.gz PHKHKYAANQTLHH-SDDRHHMPSA-N 2 2 282.388 -0.879 20 0 CBADLP C[C@H](NC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)C(=O)N(C)C ZINC000357082793 299056051 /nfs/dbraw/zinc/05/60/51/299056051.db2.gz PHKHKYAANQTLHH-SDDRHHMPSA-N 2 2 282.388 -0.879 20 0 CBADLP C[C@H](NC(=O)C[N@@H+]1CC[C@](C)(C[NH3+])C1)C(=O)N(C)C ZINC000261652027 299056242 /nfs/dbraw/zinc/05/62/42/299056242.db2.gz HMNQOYFQLXQXAP-GXFFZTMASA-N 2 2 270.377 -0.750 20 0 CBADLP C[C@H](NC(=O)C[N@H+]1CC[C@](C)(C[NH3+])C1)C(=O)N(C)C ZINC000261652027 299056245 /nfs/dbraw/zinc/05/62/45/299056245.db2.gz HMNQOYFQLXQXAP-GXFFZTMASA-N 2 2 270.377 -0.750 20 0 CBADLP C[C@H]1CN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)C[C@H]1[NH+]1CCOCC1 ZINC000188791867 300179223 /nfs/dbraw/zinc/17/92/23/300179223.db2.gz JSLFQYQRHCEGBY-WUHRBBMRSA-N 2 2 285.363 -0.135 20 0 CBADLP NC(=O)NC(=O)CC[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069859202 303268486 /nfs/dbraw/zinc/26/84/86/303268486.db2.gz YGWARMZRBXWBQT-LBPRGKRZSA-N 2 2 298.387 -0.384 20 0 CBADLP NC(=O)NC(=O)CC[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069859202 303268488 /nfs/dbraw/zinc/26/84/88/303268488.db2.gz YGWARMZRBXWBQT-LBPRGKRZSA-N 2 2 298.387 -0.384 20 0 CBADLP [NH3+]CCC(=O)N1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000378209623 303371858 /nfs/dbraw/zinc/37/18/58/303371858.db2.gz KMUXABGMMKYMKC-LLVKDONJSA-N 2 2 268.361 -0.852 20 0 CBADLP C[C@@H](CC(=O)N(C)CC(=O)N1CC[NH2+]CC1)n1cc[nH+]c1 ZINC000565311842 327885454 /nfs/dbraw/zinc/88/54/54/327885454.db2.gz MKJHMPIZGVDCDZ-LBPRGKRZSA-N 2 2 293.371 -0.276 20 0 CBADLP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000563145562 327929768 /nfs/dbraw/zinc/92/97/68/327929768.db2.gz YOHCUKQGMMAXQC-WDEREUQCSA-N 2 2 282.388 -0.465 20 0 CBADLP C[C@@H]1C[N@@H+]([C@H]2CC(=O)NC2=O)CC[C@H]1N1CC[NH+](C)CC1 ZINC000563348093 328056633 /nfs/dbraw/zinc/05/66/33/328056633.db2.gz HPWNPTGQCDXTKV-UPJWGTAASA-N 2 2 294.399 -0.641 20 0 CBADLP C[C@@H]1C[N@H+]([C@H]2CC(=O)NC2=O)CC[C@H]1N1CC[NH+](C)CC1 ZINC000563348093 328056635 /nfs/dbraw/zinc/05/66/35/328056635.db2.gz HPWNPTGQCDXTKV-UPJWGTAASA-N 2 2 294.399 -0.641 20 0 CBADLP COCCN1C(=O)C[C@@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)C1=O ZINC000563348701 328056664 /nfs/dbraw/zinc/05/66/64/328056664.db2.gz MNGYZIPDCCVTEL-VXGBXAGGSA-N 2 2 283.372 -0.308 20 0 CBADLP COCCN1C(=O)C[C@@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)C1=O ZINC000563348701 328056666 /nfs/dbraw/zinc/05/66/66/328056666.db2.gz MNGYZIPDCCVTEL-VXGBXAGGSA-N 2 2 283.372 -0.308 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000563349210 328056833 /nfs/dbraw/zinc/05/68/33/328056833.db2.gz FGEHMYZWIZURGT-DZGCQCFKSA-N 2 2 299.415 -0.472 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000563349210 328056835 /nfs/dbraw/zinc/05/68/35/328056835.db2.gz FGEHMYZWIZURGT-DZGCQCFKSA-N 2 2 299.415 -0.472 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000563349210 328056837 /nfs/dbraw/zinc/05/68/37/328056837.db2.gz FGEHMYZWIZURGT-DZGCQCFKSA-N 2 2 299.415 -0.472 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000563349210 328056838 /nfs/dbraw/zinc/05/68/38/328056838.db2.gz FGEHMYZWIZURGT-DZGCQCFKSA-N 2 2 299.415 -0.472 20 0 CBADLP c1c[nH+]c(N2CC[NH+](C[C@H]3COCCO3)CC2)[nH]1 ZINC000563356531 328057900 /nfs/dbraw/zinc/05/79/00/328057900.db2.gz XVQZXWYMXZXAFL-NSHDSACASA-N 2 2 252.318 -0.053 20 0 CBADLP Cc1[nH+]ccn1CCC[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000563444001 328067155 /nfs/dbraw/zinc/06/71/55/328067155.db2.gz ZYLIKEGNSQOBAZ-CHWSQXEVSA-N 3 2 277.372 -0.175 20 0 CBADLP Cc1[nH+]ccn1CCC[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000563444001 328067157 /nfs/dbraw/zinc/06/71/57/328067157.db2.gz ZYLIKEGNSQOBAZ-CHWSQXEVSA-N 3 2 277.372 -0.175 20 0 CBADLP O=C(NCC1(O)C[NH2+]C1)Nc1ccc2[nH+]ccn2c1 ZINC000563457164 328067749 /nfs/dbraw/zinc/06/77/49/328067749.db2.gz NWAPBLBMPMWMLO-UHFFFAOYSA-N 2 2 261.285 -0.210 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000563619959 328077348 /nfs/dbraw/zinc/07/73/48/328077348.db2.gz DSUQIIHWWKIGPI-QWHCGFSZSA-N 2 2 296.415 -0.489 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000563619959 328077349 /nfs/dbraw/zinc/07/73/49/328077349.db2.gz DSUQIIHWWKIGPI-QWHCGFSZSA-N 2 2 296.415 -0.489 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000571162928 328089524 /nfs/dbraw/zinc/08/95/24/328089524.db2.gz OILWPMGRKFGHDS-NWDGAFQWSA-N 2 2 284.404 -0.362 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000571162928 328089525 /nfs/dbraw/zinc/08/95/25/328089525.db2.gz OILWPMGRKFGHDS-NWDGAFQWSA-N 2 2 284.404 -0.362 20 0 CBADLP C[NH2+][C@@H](C)C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000571298340 328100535 /nfs/dbraw/zinc/10/05/35/328100535.db2.gz VWRWDBVJUITSHL-ZDUSSCGKSA-N 2 2 296.415 -0.249 20 0 CBADLP C[NH2+][C@@H](C)C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000571298340 328100536 /nfs/dbraw/zinc/10/05/36/328100536.db2.gz VWRWDBVJUITSHL-ZDUSSCGKSA-N 2 2 296.415 -0.249 20 0 CBADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1nc(N)nc(N(C)C)n1 ZINC000216142642 328113943 /nfs/dbraw/zinc/11/39/43/328113943.db2.gz UAWMJYKDAHPTOQ-DTWKUNHWSA-N 2 2 265.365 -0.311 20 0 CBADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1nc(N)nc(N(C)C)n1 ZINC000216142642 328113944 /nfs/dbraw/zinc/11/39/44/328113944.db2.gz UAWMJYKDAHPTOQ-DTWKUNHWSA-N 2 2 265.365 -0.311 20 0 CBADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1nc(N)nc(N(C)C)n1 ZINC000216142735 328114002 /nfs/dbraw/zinc/11/40/02/328114002.db2.gz UAWMJYKDAHPTOQ-IUCAKERBSA-N 2 2 265.365 -0.311 20 0 CBADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1nc(N)nc(N(C)C)n1 ZINC000216142735 328114004 /nfs/dbraw/zinc/11/40/04/328114004.db2.gz UAWMJYKDAHPTOQ-IUCAKERBSA-N 2 2 265.365 -0.311 20 0 CBADLP O[C@@H](CN1CCOCC1)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000571533544 328132418 /nfs/dbraw/zinc/13/24/18/328132418.db2.gz UJBHRTZBJGKNQN-CYBMUJFWSA-N 2 2 295.387 -0.775 20 0 CBADLP O[C@H](CN1CCN(c2[nH]cc[nH+]2)CC1)C[NH+]1CCOCC1 ZINC000571533544 328132420 /nfs/dbraw/zinc/13/24/20/328132420.db2.gz UJBHRTZBJGKNQN-CYBMUJFWSA-N 2 2 295.387 -0.775 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)C[C@@H]1CCOC1 ZINC000394134366 329106807 /nfs/dbraw/zinc/10/68/07/329106807.db2.gz OXDCTHKWGPHAIH-QWHCGFSZSA-N 2 2 260.378 -0.106 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)C[C@@H]1CCOC1 ZINC000394134366 329106808 /nfs/dbraw/zinc/10/68/08/329106808.db2.gz OXDCTHKWGPHAIH-QWHCGFSZSA-N 2 2 260.378 -0.106 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)C[C@@H]1CCOC1 ZINC000394134366 329106810 /nfs/dbraw/zinc/10/68/10/329106810.db2.gz OXDCTHKWGPHAIH-QWHCGFSZSA-N 2 2 260.378 -0.106 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)C[C@@H]1CCOC1 ZINC000394134366 329106813 /nfs/dbraw/zinc/10/68/13/329106813.db2.gz OXDCTHKWGPHAIH-QWHCGFSZSA-N 2 2 260.378 -0.106 20 0 CBADLP C[C@H](Cn1cncn1)[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000583494796 328425715 /nfs/dbraw/zinc/42/57/15/328425715.db2.gz GIZKZIWVMBGPJR-SYQHCUMBSA-N 2 2 297.403 -0.274 20 0 CBADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CCCCO)C[C@@H](C)O1 ZINC000563713229 328490388 /nfs/dbraw/zinc/49/03/88/328490388.db2.gz HDRLDWHYOKENSW-UPJWGTAASA-N 2 2 260.378 -0.181 20 0 CBADLP CN(Cc1[nH+]ccn1C)C(=O)CCOC1C[NH2+]C1 ZINC000564837351 327000556 /nfs/dbraw/zinc/00/05/56/327000556.db2.gz QOGVKFXHZRNORV-UHFFFAOYSA-N 2 2 252.318 -0.243 20 0 CBADLP CC(=O)NCC[NH+](C)CC(C)C[N@H+](C)CCNC(C)=O ZINC000565772082 327008635 /nfs/dbraw/zinc/00/86/35/327008635.db2.gz CUTYKSZPCZWPAG-UHFFFAOYSA-N 2 2 286.420 -0.242 20 0 CBADLP CC(=O)NCC[NH+](C)CC(C)C[N@@H+](C)CCNC(C)=O ZINC000565772082 327008636 /nfs/dbraw/zinc/00/86/36/327008636.db2.gz CUTYKSZPCZWPAG-UHFFFAOYSA-N 2 2 286.420 -0.242 20 0 CBADLP CN1CC[NH2+]C[C@H]1CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000576038840 327010554 /nfs/dbraw/zinc/01/05/54/327010554.db2.gz SDFGAQYZXADWJE-IUCAKERBSA-N 2 2 262.304 -0.997 20 0 CBADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CCNC(=O)C2CC2)C[C@H](C)O1 ZINC000564846580 327010753 /nfs/dbraw/zinc/01/07/53/327010753.db2.gz PVYVWKVLFFQHRA-SCRDCRAPSA-N 2 2 299.415 -0.428 20 0 CBADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CCNC(=O)C2CC2)C[C@H](C)O1 ZINC000564846580 327010755 /nfs/dbraw/zinc/01/07/55/327010755.db2.gz PVYVWKVLFFQHRA-SCRDCRAPSA-N 2 2 299.415 -0.428 20 0 CBADLP Cn1ncc2c1C[C@@H](C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])CC2 ZINC000565891586 327080451 /nfs/dbraw/zinc/08/04/51/327080451.db2.gz SGCNNWVNDFHVPH-WCQYABFASA-N 2 2 291.399 -0.374 20 0 CBADLP CCOC(=O)C1(O)CC[NH+](C[C@@H](O)C[N@H+](C)CC)CC1 ZINC000584240113 327117331 /nfs/dbraw/zinc/11/73/31/327117331.db2.gz XAEPVUWPCZFJQJ-LBPRGKRZSA-N 2 2 288.388 -0.311 20 0 CBADLP CCOC(=O)C1(O)CC[NH+](C[C@@H](O)C[N@@H+](C)CC)CC1 ZINC000584240113 327117333 /nfs/dbraw/zinc/11/73/33/327117333.db2.gz XAEPVUWPCZFJQJ-LBPRGKRZSA-N 2 2 288.388 -0.311 20 0 CBADLP C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ncn(C)n1 ZINC000558742999 327118768 /nfs/dbraw/zinc/11/87/68/327118768.db2.gz RJQHEQBTGUMMAB-NSHDSACASA-N 2 2 280.376 -0.370 20 0 CBADLP C[C@@H](C(=O)N1CC[NH+](CCO)CC1)[NH+]1CC(C)C1 ZINC000584240818 327124740 /nfs/dbraw/zinc/12/47/40/327124740.db2.gz SKIVUMBQLFHFCB-LBPRGKRZSA-N 2 2 255.362 -0.537 20 0 CBADLP CC(=O)NCCCCCC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000569487224 327185486 /nfs/dbraw/zinc/18/54/86/327185486.db2.gz LMTWAJFNRBKJRW-ZDUSSCGKSA-N 2 2 284.404 -0.216 20 0 CBADLP CC(=O)NCCCCCC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000569487224 327185487 /nfs/dbraw/zinc/18/54/87/327185487.db2.gz LMTWAJFNRBKJRW-ZDUSSCGKSA-N 2 2 284.404 -0.216 20 0 CBADLP C[C@H]1[NH2+]CC[C@H]1C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000569607632 327209608 /nfs/dbraw/zinc/20/96/08/327209608.db2.gz SQGUYOVXRAVGGG-IJLUTSLNSA-N 2 2 255.362 -0.179 20 0 CBADLP C[C@H]1[NH2+]CC[C@H]1C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000569607632 327209609 /nfs/dbraw/zinc/20/96/09/327209609.db2.gz SQGUYOVXRAVGGG-IJLUTSLNSA-N 2 2 255.362 -0.179 20 0 CBADLP C[NH+](C)C[C@H](O)C[NH2+]C[C@H](O)COc1ccccc1 ZINC000578070166 327298159 /nfs/dbraw/zinc/29/81/59/327298159.db2.gz JYGBLBYBKAAFHM-OLZOCXBDSA-N 2 2 268.357 -0.062 20 0 CBADLP C[NH2+][C@@H]1CCCN(C(=O)C[N@H+](C)CC(=O)NC(C)C)C1 ZINC000583380026 327334219 /nfs/dbraw/zinc/33/42/19/327334219.db2.gz DSBVNPIPIVZJBF-GFCCVEGCSA-N 2 2 284.404 -0.347 20 0 CBADLP C[NH2+][C@@H]1CCCN(C(=O)C[N@@H+](C)CC(=O)NC(C)C)C1 ZINC000583380026 327334222 /nfs/dbraw/zinc/33/42/22/327334222.db2.gz DSBVNPIPIVZJBF-GFCCVEGCSA-N 2 2 284.404 -0.347 20 0 CBADLP COc1nccc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])n1 ZINC000561015356 327358170 /nfs/dbraw/zinc/35/81/70/327358170.db2.gz IQQPTKCUJUIQQU-SECBINFHSA-N 2 2 280.332 -0.408 20 0 CBADLP COc1nccc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])n1 ZINC000561015356 327358171 /nfs/dbraw/zinc/35/81/71/327358171.db2.gz IQQPTKCUJUIQQU-SECBINFHSA-N 2 2 280.332 -0.408 20 0 CBADLP [NH3+]C[C@H](NC(=O)NCC1([NH+]2CCOCC2)CC1)C1CC1 ZINC000562813567 327516192 /nfs/dbraw/zinc/51/61/92/327516192.db2.gz DULBIEVPGNVJSM-LBPRGKRZSA-N 2 2 282.388 -0.112 20 0 CBADLP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000583565260 328615948 /nfs/dbraw/zinc/61/59/48/328615948.db2.gz XOGWRVIOOXEFRK-GHMZBOCLSA-N 2 2 281.360 -0.369 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000582495022 329100426 /nfs/dbraw/zinc/10/04/26/329100426.db2.gz SYDZNWJGRDUZBY-HNNXBMFYSA-N 3 2 286.464 -0.132 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+](C)CCCN1CC[NH+](C)CC1 ZINC000582495022 329100423 /nfs/dbraw/zinc/10/04/23/329100423.db2.gz SYDZNWJGRDUZBY-HNNXBMFYSA-N 3 2 286.464 -0.132 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)CCCN1CC[NH+](C)CC1 ZINC000582495022 329100424 /nfs/dbraw/zinc/10/04/24/329100424.db2.gz SYDZNWJGRDUZBY-HNNXBMFYSA-N 3 2 286.464 -0.132 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000582495022 329100425 /nfs/dbraw/zinc/10/04/25/329100425.db2.gz SYDZNWJGRDUZBY-HNNXBMFYSA-N 3 2 286.464 -0.132 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)[C@H]([NH3+])CC(F)F ZINC000582542843 329109345 /nfs/dbraw/zinc/10/93/45/329109345.db2.gz CSDQQIOJBWMYDT-SECBINFHSA-N 2 2 265.304 -0.241 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)C1(C(N)=O)CCCC1 ZINC000582704314 329126933 /nfs/dbraw/zinc/12/69/33/329126933.db2.gz VRBQGPGMSZYJTR-GFCCVEGCSA-N 2 2 287.404 -0.345 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)C1(C(N)=O)CCCC1 ZINC000582704314 329126934 /nfs/dbraw/zinc/12/69/34/329126934.db2.gz VRBQGPGMSZYJTR-GFCCVEGCSA-N 2 2 287.404 -0.345 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)C1(C(N)=O)CCCC1 ZINC000582704314 329126936 /nfs/dbraw/zinc/12/69/36/329126936.db2.gz VRBQGPGMSZYJTR-GFCCVEGCSA-N 2 2 287.404 -0.345 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)C1(C(N)=O)CCCC1 ZINC000582704314 329126937 /nfs/dbraw/zinc/12/69/37/329126937.db2.gz VRBQGPGMSZYJTR-GFCCVEGCSA-N 2 2 287.404 -0.345 20 0 CBADLP Cc1[nH+]cc2n1C[C@H](C(=O)N1CC[NH+](CCO)CC1)CC2 ZINC000583028060 329304524 /nfs/dbraw/zinc/30/45/24/329304524.db2.gz FMZYYVQHDXCPSH-CYBMUJFWSA-N 2 2 292.383 -0.110 20 0 CBADLP O=C(COC1C[NH2+]C1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000584407716 329457390 /nfs/dbraw/zinc/45/73/90/329457390.db2.gz XBBPYUCMJYFYQU-UHFFFAOYSA-N 2 2 290.367 -0.286 20 0 CBADLP C[C@@H](C[NH3+])CNC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000572241817 329960461 /nfs/dbraw/zinc/96/04/61/329960461.db2.gz IOUPLRZNRDOBQK-VIFPVBQESA-N 2 2 260.301 -0.013 20 0 CBADLP Cc1cnn(CCC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c1 ZINC000162381905 330011991 /nfs/dbraw/zinc/01/19/91/330011991.db2.gz DAUZBNBJVVODHK-LBPRGKRZSA-N 2 2 265.361 -0.317 20 0 CBADLP Cc1cnn(CCC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c1 ZINC000162381905 330011992 /nfs/dbraw/zinc/01/19/92/330011992.db2.gz DAUZBNBJVVODHK-LBPRGKRZSA-N 2 2 265.361 -0.317 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1CC(=O)OC ZINC000572374435 330021259 /nfs/dbraw/zinc/02/12/59/330021259.db2.gz OCIJLWPKDZOTJZ-CHWSQXEVSA-N 2 2 288.388 -0.047 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1CC(=O)OC ZINC000572374435 330021261 /nfs/dbraw/zinc/02/12/61/330021261.db2.gz OCIJLWPKDZOTJZ-CHWSQXEVSA-N 2 2 288.388 -0.047 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H]1CC(=O)OC ZINC000572374435 330021263 /nfs/dbraw/zinc/02/12/63/330021263.db2.gz OCIJLWPKDZOTJZ-CHWSQXEVSA-N 2 2 288.388 -0.047 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H]1CC(=O)OC ZINC000572374435 330021264 /nfs/dbraw/zinc/02/12/64/330021264.db2.gz OCIJLWPKDZOTJZ-CHWSQXEVSA-N 2 2 288.388 -0.047 20 0 CBADLP Cn1nccc1/C=C/C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000162610087 330082613 /nfs/dbraw/zinc/08/26/13/330082613.db2.gz HDBUPRLDWFLLPS-PCAWENJQSA-N 2 2 263.345 -0.465 20 0 CBADLP Cn1nccc1/C=C/C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000162610087 330082614 /nfs/dbraw/zinc/08/26/14/330082614.db2.gz HDBUPRLDWFLLPS-PCAWENJQSA-N 2 2 263.345 -0.465 20 0 CBADLP CN(C)S(=O)(=O)CC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000572493887 330776339 /nfs/dbraw/zinc/77/63/39/330776339.db2.gz DIBCAGSLJKERNP-UHFFFAOYSA-N 2 2 287.389 -0.577 20 0 CBADLP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(-n2cc[nH+]c2)nn1 ZINC000575747966 335111574 /nfs/dbraw/zinc/11/15/74/335111574.db2.gz DSFLLRHXEASYCM-GDGBQDQQSA-N 2 2 270.296 -0.390 20 0 CBADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@@H]2CCC[C@H]2O)C[C@@H](C)O1 ZINC000575803435 335116758 /nfs/dbraw/zinc/11/67/58/335116758.db2.gz NEHCLSQVBQPLLN-DHGKCCLASA-N 2 2 272.389 -0.041 20 0 CBADLP C[C@H](C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C)[NH+]1CCN(C)CC1 ZINC000575803778 335117193 /nfs/dbraw/zinc/11/71/93/335117193.db2.gz FUUSXAVUFAQHOS-FRRDWIJNSA-N 2 2 268.405 -0.169 20 0 CBADLP CCOCCCNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000576133491 335158906 /nfs/dbraw/zinc/15/89/06/335158906.db2.gz INAGZYUHIQGVLK-NSHDSACASA-N 2 2 258.366 -0.303 20 0 CBADLP C[NH+](C)CCCNS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000555550714 334481336 /nfs/dbraw/zinc/48/13/36/334481336.db2.gz BLQOFUXKSVRJJR-UHFFFAOYSA-N 2 2 293.433 -0.420 20 0 CBADLP COCC(COC)[NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000567104096 334681203 /nfs/dbraw/zinc/68/12/03/334681203.db2.gz FXUCNSHSEWIXRX-OBJOEFQTSA-N 2 2 290.404 -0.293 20 0 CBADLP C[C@@H]1CN(C[C@H](O)C[NH2+]CCn2cc[nH+]c2)C[C@H](C)O1 ZINC000568621599 334832959 /nfs/dbraw/zinc/83/29/59/334832959.db2.gz XEBNWPMTTJLIGF-HZSPNIEDSA-N 2 2 282.388 -0.057 20 0 CBADLP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000572842569 334883325 /nfs/dbraw/zinc/88/33/25/334883325.db2.gz JRVNWQNJDWCDCZ-HBNTYKKESA-N 2 2 281.360 -0.370 20 0 CBADLP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000572842566 334883377 /nfs/dbraw/zinc/88/33/77/334883377.db2.gz JRVNWQNJDWCDCZ-AXFHLTTASA-N 2 2 281.360 -0.370 20 0 CBADLP C[C@@H](CC(=O)NC[C@H]1C[NH2+]CCO1)n1cc[nH+]c1 ZINC000576355993 335193616 /nfs/dbraw/zinc/19/36/16/335193616.db2.gz WVKUZYNRXLXUKL-WDEREUQCSA-N 2 2 252.318 -0.061 20 0 CBADLP C[NH2+]C[C@@H](O)C[NH2+]CCS(=O)(=O)c1ccccc1 ZINC000576466712 335207721 /nfs/dbraw/zinc/20/77/21/335207721.db2.gz WSBRQOJLBIHQHD-LLVKDONJSA-N 2 2 272.370 -0.370 20 0 CBADLP CN1C[C@@H]([N@H+](C)C[C@@H](O)C[NH+](C)C2CC2)CCC1=O ZINC000576475319 335209053 /nfs/dbraw/zinc/20/90/53/335209053.db2.gz BRHXRMOFWVZNMO-STQMWFEESA-N 2 2 269.389 -0.006 20 0 CBADLP CN1C[C@@H]([N@@H+](C)C[C@@H](O)C[NH+](C)C2CC2)CCC1=O ZINC000576475319 335209054 /nfs/dbraw/zinc/20/90/54/335209054.db2.gz BRHXRMOFWVZNMO-STQMWFEESA-N 2 2 269.389 -0.006 20 0 CBADLP CN1C[C@@H]([NH+](C)C[C@@H](O)C[N@H+](C)C2CC2)CCC1=O ZINC000576475319 335209055 /nfs/dbraw/zinc/20/90/55/335209055.db2.gz BRHXRMOFWVZNMO-STQMWFEESA-N 2 2 269.389 -0.006 20 0 CBADLP CN1C[C@@H]([NH+](C)C[C@@H](O)C[N@@H+](C)C2CC2)CCC1=O ZINC000576475319 335209056 /nfs/dbraw/zinc/20/90/56/335209056.db2.gz BRHXRMOFWVZNMO-STQMWFEESA-N 2 2 269.389 -0.006 20 0 CBADLP C[NH+](C)CCN1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000576635524 335228436 /nfs/dbraw/zinc/22/84/36/335228436.db2.gz BHXYGVYFLISAJK-UHFFFAOYSA-N 2 2 265.361 -0.411 20 0 CBADLP C[N@@H+]1CCN(C(=O)[C@@H]2CCCCC(=O)N2)[C@@H](C[NH3+])C1 ZINC000576635103 335228484 /nfs/dbraw/zinc/22/84/84/335228484.db2.gz ZNMIAUDRZKGRAR-QWRGUYRKSA-N 2 2 268.361 -0.854 20 0 CBADLP C[N@H+]1CCN(C(=O)[C@@H]2CCCCC(=O)N2)[C@@H](C[NH3+])C1 ZINC000576635103 335228486 /nfs/dbraw/zinc/22/84/86/335228486.db2.gz ZNMIAUDRZKGRAR-QWRGUYRKSA-N 2 2 268.361 -0.854 20 0 CBADLP O=C(NCC1([NH+]2CCOCC2)CC1)N[C@H]1CC[NH2+]C1 ZINC000576838720 335254716 /nfs/dbraw/zinc/25/47/16/335254716.db2.gz SVTJXUGRKBNLIB-NSHDSACASA-N 2 2 268.361 -0.488 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000576873032 335258566 /nfs/dbraw/zinc/25/85/66/335258566.db2.gz YRGBJGLHTBAFKL-NEPJUHHUSA-N 2 2 284.404 -0.301 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000576873032 335258568 /nfs/dbraw/zinc/25/85/68/335258568.db2.gz YRGBJGLHTBAFKL-NEPJUHHUSA-N 2 2 284.404 -0.301 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)C[C@H]1COCC[NH2+]1 ZINC000580557337 335280276 /nfs/dbraw/zinc/28/02/76/335280276.db2.gz BDRAYTXMOZFNIF-LBPRGKRZSA-N 2 2 271.361 -0.845 20 0 CBADLP C[C@H](C(=O)N1CCCCC1)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000577077297 335296390 /nfs/dbraw/zinc/29/63/90/335296390.db2.gz IPIVJUXAKFFKHJ-AGIUHOORSA-N 2 2 294.399 -0.369 20 0 CBADLP CC[C@H]1C[N@H+](C)CCN1CC(=O)N1CC[NH+](C)CC1 ZINC000577099268 335299794 /nfs/dbraw/zinc/29/97/94/335299794.db2.gz JWWXCFSWHDLTQO-ZDUSSCGKSA-N 2 2 268.405 -0.214 20 0 CBADLP CC[C@H]1C[N@@H+](C)CCN1CC(=O)N1CC[NH+](C)CC1 ZINC000577099268 335299795 /nfs/dbraw/zinc/29/97/95/335299795.db2.gz JWWXCFSWHDLTQO-ZDUSSCGKSA-N 2 2 268.405 -0.214 20 0 CBADLP C[NH+](C)[C@H]1CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C[C@@H]1O ZINC000577190797 335319893 /nfs/dbraw/zinc/31/98/93/335319893.db2.gz SNFYMDUWBQDVGG-DLOVCJGASA-N 2 2 278.356 -0.037 20 0 CBADLP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000577489237 335355224 /nfs/dbraw/zinc/35/52/24/335355224.db2.gz QVTAEKNCQORZAS-GARJFASQSA-N 3 2 257.382 -0.604 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000577482278 335356992 /nfs/dbraw/zinc/35/69/92/335356992.db2.gz NLBJEROLQKBTAW-OAHLLOKOSA-N 2 2 294.399 -0.638 20 0 CBADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]C[C@@H](O)C(F)F)C[C@H](C)O1 ZINC000577492829 335358647 /nfs/dbraw/zinc/35/86/47/335358647.db2.gz NZFJUEJGGPXFGC-LMLFDSFASA-N 2 2 282.331 -0.328 20 0 CBADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]C[C@@H](O)C(F)F)C[C@H](C)O1 ZINC000577492829 335358648 /nfs/dbraw/zinc/35/86/48/335358648.db2.gz NZFJUEJGGPXFGC-LMLFDSFASA-N 2 2 282.331 -0.328 20 0 CBADLP C[N@H+](C[C@H](O)C[NH2+][C@@H]1C[C@@H](O)[C@@H]1n1cccn1)C1CC1 ZINC000577729839 335393286 /nfs/dbraw/zinc/39/32/86/335393286.db2.gz DBJOTZTYGULQAT-AAVRWANBSA-N 2 2 280.372 -0.398 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1C[C@@H](O)[C@@H]1n1cccn1)C1CC1 ZINC000577729839 335393288 /nfs/dbraw/zinc/39/32/88/335393288.db2.gz DBJOTZTYGULQAT-AAVRWANBSA-N 2 2 280.372 -0.398 20 0 CBADLP Cn1[nH]c(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)nc1=O ZINC000577731022 335393728 /nfs/dbraw/zinc/39/37/28/335393728.db2.gz TYZWTIFJTIRWBC-GUBZILKMSA-N 2 2 251.334 -0.332 20 0 CBADLP Cn1[nH]c(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)nc1=O ZINC000577731022 335393730 /nfs/dbraw/zinc/39/37/30/335393730.db2.gz TYZWTIFJTIRWBC-GUBZILKMSA-N 2 2 251.334 -0.332 20 0 CBADLP C[C@@H](NC(=O)CCn1cc[nH+]c1)C(=O)NCC[NH+](C)C ZINC000578558315 335649200 /nfs/dbraw/zinc/64/92/00/335649200.db2.gz JZZMUSSSAOEEKH-LLVKDONJSA-N 2 2 281.360 -0.544 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000380567514 336000341 /nfs/dbraw/zinc/00/03/41/336000341.db2.gz SVJHQPSTZJMXLU-YNEHKIRRSA-N 2 2 285.388 -0.864 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000380567514 336000342 /nfs/dbraw/zinc/00/03/42/336000342.db2.gz SVJHQPSTZJMXLU-YNEHKIRRSA-N 2 2 285.388 -0.864 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000380567514 336000343 /nfs/dbraw/zinc/00/03/43/336000343.db2.gz SVJHQPSTZJMXLU-YNEHKIRRSA-N 2 2 285.388 -0.864 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000380567514 336000344 /nfs/dbraw/zinc/00/03/44/336000344.db2.gz SVJHQPSTZJMXLU-YNEHKIRRSA-N 2 2 285.388 -0.864 20 0 CBADLP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN2CC[NH2+]CC2=O)C1 ZINC000581132437 336013212 /nfs/dbraw/zinc/01/32/12/336013212.db2.gz RVCSUUBGXWCTFI-CHWSQXEVSA-N 2 2 294.399 -0.639 20 0 CBADLP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN2CC[NH2+]CC2=O)C1 ZINC000581132437 336013213 /nfs/dbraw/zinc/01/32/13/336013213.db2.gz RVCSUUBGXWCTFI-CHWSQXEVSA-N 2 2 294.399 -0.639 20 0 CBADLP C[N@@H+]1CCN(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)[C@H](C[NH3+])C1 ZINC000581241205 336029536 /nfs/dbraw/zinc/02/95/36/336029536.db2.gz NZNDKLWZFBQDKN-FRRDWIJNSA-N 3 2 283.420 -0.212 20 0 CBADLP C[N@H+]1CCN(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)[C@H](C[NH3+])C1 ZINC000581241205 336029538 /nfs/dbraw/zinc/02/95/38/336029538.db2.gz NZNDKLWZFBQDKN-FRRDWIJNSA-N 3 2 283.420 -0.212 20 0 CBADLP Cc1cc(NC(=O)NC[C@H]2C[NH2+]CCO2)cc[nH+]1 ZINC000581317985 336047899 /nfs/dbraw/zinc/04/78/99/336047899.db2.gz WMYCIBIHLGPMFH-LLVKDONJSA-N 2 2 250.302 -0.078 20 0 CBADLP OCC[N@@H+]1CCCC[C@@H]1C[NH2+]C[C@@H](O)Cn1cccn1 ZINC000581370078 336062992 /nfs/dbraw/zinc/06/29/92/336062992.db2.gz IIBQPHDPKCOJPN-ZIAGYGMSSA-N 2 2 282.388 -0.320 20 0 CBADLP OCC[N@H+]1CCCC[C@@H]1C[NH2+]C[C@@H](O)Cn1cccn1 ZINC000581370078 336062993 /nfs/dbraw/zinc/06/29/93/336062993.db2.gz IIBQPHDPKCOJPN-ZIAGYGMSSA-N 2 2 282.388 -0.320 20 0 CBADLP C[NH2+]C[C@@H](C)C(=O)NC[C@H]1CCC[N@H+](CC(=O)OC)C1 ZINC000581487607 336088022 /nfs/dbraw/zinc/08/80/22/336088022.db2.gz XOEHLNDWGJJZIL-VXGBXAGGSA-N 2 2 285.388 -0.157 20 0 CBADLP C[NH2+]C[C@@H](C)C(=O)NC[C@H]1CCC[N@@H+](CC(=O)OC)C1 ZINC000581487607 336088023 /nfs/dbraw/zinc/08/80/23/336088023.db2.gz XOEHLNDWGJJZIL-VXGBXAGGSA-N 2 2 285.388 -0.157 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H](C)[NH2+]C1CC1 ZINC000382935585 336098758 /nfs/dbraw/zinc/09/87/58/336098758.db2.gz HELPNJULTOSDBZ-GHMZBOCLSA-N 2 2 255.362 -0.036 20 0 CBADLP C[C@@H](C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])c1cnn(C)c1 ZINC000581547248 336099819 /nfs/dbraw/zinc/09/98/19/336099819.db2.gz KGVSJEUZCPINFQ-PWSUYJOCSA-N 2 2 265.361 -0.375 20 0 CBADLP C[C@@H](C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])c1cnn(C)c1 ZINC000581547248 336099820 /nfs/dbraw/zinc/09/98/20/336099820.db2.gz KGVSJEUZCPINFQ-PWSUYJOCSA-N 2 2 265.361 -0.375 20 0 CBADLP C[C@H](C[NH3+])[N@H+](C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000382968169 336099831 /nfs/dbraw/zinc/09/98/31/336099831.db2.gz FBJXUWIDOAPIDY-SNVBAGLBSA-N 2 2 287.385 -0.008 20 0 CBADLP C[C@H](C[NH3+])[N@@H+](C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000382968169 336099832 /nfs/dbraw/zinc/09/98/32/336099832.db2.gz FBJXUWIDOAPIDY-SNVBAGLBSA-N 2 2 287.385 -0.008 20 0 CBADLP C[C@H](C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])c1ccnn1C ZINC000581606542 336111311 /nfs/dbraw/zinc/11/13/11/336111311.db2.gz RWVFBLVPASEPDT-WDEREUQCSA-N 2 2 265.361 -0.375 20 0 CBADLP C[C@H](C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1ccnn1C ZINC000581606542 336111312 /nfs/dbraw/zinc/11/13/12/336111312.db2.gz RWVFBLVPASEPDT-WDEREUQCSA-N 2 2 265.361 -0.375 20 0 CBADLP CCCC[C@H](C[NH3+])NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000581716181 336136012 /nfs/dbraw/zinc/13/60/12/336136012.db2.gz QLPIIHATHHECPK-NEPJUHHUSA-N 3 2 271.409 -0.212 20 0 CBADLP CCOC(=O)CC[C@@H](O)C[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000385617719 336152731 /nfs/dbraw/zinc/15/27/31/336152731.db2.gz DHZITGHHXHLPGV-QWHCGFSZSA-N 2 2 287.404 -0.474 20 0 CBADLP CCOC(=O)CC[C@@H](O)C[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000385617719 336152734 /nfs/dbraw/zinc/15/27/34/336152734.db2.gz DHZITGHHXHLPGV-QWHCGFSZSA-N 2 2 287.404 -0.474 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+](CCO)C1CCC1 ZINC000386364706 336171732 /nfs/dbraw/zinc/17/17/32/336171732.db2.gz QTMNSERDAQKLEO-CYBMUJFWSA-N 2 2 260.378 -0.228 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](CCO)C1CCC1 ZINC000386364706 336171733 /nfs/dbraw/zinc/17/17/33/336171733.db2.gz QTMNSERDAQKLEO-CYBMUJFWSA-N 2 2 260.378 -0.228 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+](CCO)C1CCC1 ZINC000386364706 336171734 /nfs/dbraw/zinc/17/17/34/336171734.db2.gz QTMNSERDAQKLEO-CYBMUJFWSA-N 2 2 260.378 -0.228 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](CCO)C1CCC1 ZINC000386364706 336171736 /nfs/dbraw/zinc/17/17/36/336171736.db2.gz QTMNSERDAQKLEO-CYBMUJFWSA-N 2 2 260.378 -0.228 20 0 CBADLP NS(=O)(=O)CC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000740878404 582265858 /nfs/dbraw/zinc/26/58/58/582265858.db2.gz DEUGHPJGTPSFLD-LLVKDONJSA-N 2 2 261.391 -0.307 20 0 CBADLP NS(=O)(=O)CC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000740878404 582265859 /nfs/dbraw/zinc/26/58/59/582265859.db2.gz DEUGHPJGTPSFLD-LLVKDONJSA-N 2 2 261.391 -0.307 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000333846212 534062796 /nfs/dbraw/zinc/06/27/96/534062796.db2.gz WGKVERLIYRESIT-VXGBXAGGSA-N 2 2 270.377 -0.242 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1CCC[NH2+]C1 ZINC000333846209 534063156 /nfs/dbraw/zinc/06/31/56/534063156.db2.gz WGKVERLIYRESIT-NEPJUHHUSA-N 2 2 270.377 -0.242 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000163879585 519873899 /nfs/dbraw/zinc/87/38/99/519873899.db2.gz KPTLUYVLQPHAMD-QWHCGFSZSA-N 2 2 298.431 -0.112 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000163879585 519873901 /nfs/dbraw/zinc/87/39/01/519873901.db2.gz KPTLUYVLQPHAMD-QWHCGFSZSA-N 2 2 298.431 -0.112 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000163879713 519873943 /nfs/dbraw/zinc/87/39/43/519873943.db2.gz KPTLUYVLQPHAMD-CHWSQXEVSA-N 2 2 298.431 -0.112 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000163879713 519873945 /nfs/dbraw/zinc/87/39/45/519873945.db2.gz KPTLUYVLQPHAMD-CHWSQXEVSA-N 2 2 298.431 -0.112 20 0 CBADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@H](C)[NH3+])CC1 ZINC000157389306 523324763 /nfs/dbraw/zinc/32/47/63/523324763.db2.gz FMNNKMLSYRIIDD-UWVGGRQHSA-N 2 2 257.334 -0.571 20 0 CBADLP COCC[N@H+](C)CC[NH2+]C[C@@H](O)Cn1cccn1 ZINC000061378488 523604663 /nfs/dbraw/zinc/60/46/63/523604663.db2.gz BCETUADTSOEEFX-GFCCVEGCSA-N 2 2 256.350 -0.588 20 0 CBADLP COCC[N@@H+](C)CC[NH2+]C[C@@H](O)Cn1cccn1 ZINC000061378488 523604674 /nfs/dbraw/zinc/60/46/74/523604674.db2.gz BCETUADTSOEEFX-GFCCVEGCSA-N 2 2 256.350 -0.588 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000163941278 524355295 /nfs/dbraw/zinc/35/52/95/524355295.db2.gz IGSMOMGNNRPPQC-MNOVXSKESA-N 2 2 255.362 -0.321 20 0 CBADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)CCC[NH3+])CC1 ZINC000164030068 526024619 /nfs/dbraw/zinc/02/46/19/526024619.db2.gz ISWHXASTJCHFGI-LLVKDONJSA-N 2 2 282.388 -0.463 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH+]2CCC3(CC2)OCCO3)CC1 ZINC000119660716 582117604 /nfs/dbraw/zinc/11/76/04/582117604.db2.gz OHDIVTOZMZQIFK-UHFFFAOYSA-N 2 2 283.372 -0.401 20 0 CBADLP COCCN(C)CC[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000133978230 582124903 /nfs/dbraw/zinc/12/49/03/582124903.db2.gz AFOPPXHYTYGDGC-QWHCGFSZSA-N 2 2 259.394 -0.079 20 0 CBADLP COCC[N@H+](C)CCN[C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000133978230 582124904 /nfs/dbraw/zinc/12/49/04/582124904.db2.gz AFOPPXHYTYGDGC-QWHCGFSZSA-N 2 2 259.394 -0.079 20 0 CBADLP COCC[N@@H+](C)CCN[C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000133978230 582124905 /nfs/dbraw/zinc/12/49/05/582124905.db2.gz AFOPPXHYTYGDGC-QWHCGFSZSA-N 2 2 259.394 -0.079 20 0 CBADLP COCCS(=O)(=O)CCC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000727830163 582142137 /nfs/dbraw/zinc/14/21/37/582142137.db2.gz JQAXHVIEFRDFFJ-VXGBXAGGSA-N 2 2 276.402 -0.411 20 0 CBADLP C[NH+](C)[C@H]1CCN(C(=S)NCC[NH+]2CCOCC2)C1 ZINC000728176785 582143616 /nfs/dbraw/zinc/14/36/16/582143616.db2.gz RDPDRLQQTVGJHZ-LBPRGKRZSA-N 2 2 286.445 -0.171 20 0 CBADLP CNC(=O)[C@H]1CCC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000729542344 582146865 /nfs/dbraw/zinc/14/68/65/582146865.db2.gz GMJYYAVWWIMOTJ-VXGBXAGGSA-N 2 2 255.362 -0.347 20 0 CBADLP CNC(=O)[C@H]1CCC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000729542344 582146867 /nfs/dbraw/zinc/14/68/67/582146867.db2.gz GMJYYAVWWIMOTJ-VXGBXAGGSA-N 2 2 255.362 -0.347 20 0 CBADLP CNC(=O)[C@@H]1CCC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000729542341 582146881 /nfs/dbraw/zinc/14/68/81/582146881.db2.gz GMJYYAVWWIMOTJ-NEPJUHHUSA-N 2 2 255.362 -0.347 20 0 CBADLP CNC(=O)[C@@H]1CCC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000729542341 582146882 /nfs/dbraw/zinc/14/68/82/582146882.db2.gz GMJYYAVWWIMOTJ-NEPJUHHUSA-N 2 2 255.362 -0.347 20 0 CBADLP C[C@H](O)C[NH+]1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000729925996 582147991 /nfs/dbraw/zinc/14/79/91/582147991.db2.gz HMGPCGRCUXHENA-ZDUSSCGKSA-N 2 2 285.388 -0.766 20 0 CBADLP CCC[N@H+](C)CC(=O)N1CCC[NH+](CC(N)=O)CC1 ZINC000730278201 582149796 /nfs/dbraw/zinc/14/97/96/582149796.db2.gz KYTLIUMWJMHQCR-UHFFFAOYSA-N 2 2 270.377 -0.652 20 0 CBADLP CCC[N@@H+](C)CC(=O)N1CCC[NH+](CC(N)=O)CC1 ZINC000730278201 582149797 /nfs/dbraw/zinc/14/97/97/582149797.db2.gz KYTLIUMWJMHQCR-UHFFFAOYSA-N 2 2 270.377 -0.652 20 0 CBADLP CCC[NH+](C)CC(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000730278201 582149798 /nfs/dbraw/zinc/14/97/98/582149798.db2.gz KYTLIUMWJMHQCR-UHFFFAOYSA-N 2 2 270.377 -0.652 20 0 CBADLP CCC[NH+](C)CC(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000730278201 582149799 /nfs/dbraw/zinc/14/97/99/582149799.db2.gz KYTLIUMWJMHQCR-UHFFFAOYSA-N 2 2 270.377 -0.652 20 0 CBADLP CC(C)[C@@H](C(=O)N1CCC[N@H+](CC(N)=O)CC1)[NH+](C)C ZINC000730278002 582149802 /nfs/dbraw/zinc/14/98/02/582149802.db2.gz IMKOPVGJTOMZRL-ZDUSSCGKSA-N 2 2 284.404 -0.408 20 0 CBADLP CC(C)[C@@H](C(=O)N1CCC[N@@H+](CC(N)=O)CC1)[NH+](C)C ZINC000730278002 582149803 /nfs/dbraw/zinc/14/98/03/582149803.db2.gz IMKOPVGJTOMZRL-ZDUSSCGKSA-N 2 2 284.404 -0.408 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000742247781 582272345 /nfs/dbraw/zinc/27/23/45/582272345.db2.gz YDHCLQBNBGLMMZ-NEPJUHHUSA-N 2 2 264.329 -0.138 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000742247781 582272346 /nfs/dbraw/zinc/27/23/46/582272346.db2.gz YDHCLQBNBGLMMZ-NEPJUHHUSA-N 2 2 264.329 -0.138 20 0 CBADLP C[NH+]1CCC(NC(=S)NCC[NH+]2CCOCC2)CC1 ZINC000747724364 582286785 /nfs/dbraw/zinc/28/67/85/582286785.db2.gz AWOIYYXPEDODNP-UHFFFAOYSA-N 2 2 286.445 -0.123 20 0 CBADLP C[C@H](C(=O)N1CC[N@H+](C)[C@H](C)C1)N1CC[NH+](C)CC1 ZINC000748348528 582287642 /nfs/dbraw/zinc/28/76/42/582287642.db2.gz JBJNWRPSNUAYSZ-CHWSQXEVSA-N 2 2 268.405 -0.215 20 0 CBADLP C[C@H](C(=O)N1CC[N@@H+](C)[C@H](C)C1)N1CC[NH+](C)CC1 ZINC000748348528 582287643 /nfs/dbraw/zinc/28/76/43/582287643.db2.gz JBJNWRPSNUAYSZ-CHWSQXEVSA-N 2 2 268.405 -0.215 20 0 CBADLP CNS(=O)(=O)[C@H]1CC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000750215531 582290951 /nfs/dbraw/zinc/29/09/51/582290951.db2.gz IHNYHHHHQWIEMO-NEPJUHHUSA-N 2 2 291.417 -0.933 20 0 CBADLP CNS(=O)(=O)[C@H]1CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000750215531 582290952 /nfs/dbraw/zinc/29/09/52/582290952.db2.gz IHNYHHHHQWIEMO-NEPJUHHUSA-N 2 2 291.417 -0.933 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=S)NCC[NH+](C)C)CCO1 ZINC000751013185 582292399 /nfs/dbraw/zinc/29/23/99/582292399.db2.gz ALFONJDICLWGJR-LLVKDONJSA-N 2 2 274.434 -0.267 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=S)NCC[NH+](C)C)CCO1 ZINC000751013185 582292400 /nfs/dbraw/zinc/29/24/00/582292400.db2.gz ALFONJDICLWGJR-LLVKDONJSA-N 2 2 274.434 -0.267 20 0 CBADLP CN(C)c1cc[nH+]c(N2CCC[N@H+](CC(N)=O)CC2)n1 ZINC000757843088 582306115 /nfs/dbraw/zinc/30/61/15/582306115.db2.gz MQYWAXWUDGPIAW-UHFFFAOYSA-N 2 2 278.360 -0.460 20 0 CBADLP CN(C)c1cc[nH+]c(N2CCC[N@@H+](CC(N)=O)CC2)n1 ZINC000757843088 582306116 /nfs/dbraw/zinc/30/61/16/582306116.db2.gz MQYWAXWUDGPIAW-UHFFFAOYSA-N 2 2 278.360 -0.460 20 0 CBADLP C[NH+]1CCC(CNC(=S)NN2CC[NH+](C)CC2)CC1 ZINC000760466037 582313178 /nfs/dbraw/zinc/31/31/78/582313178.db2.gz KYQXDBKUGYTHDT-UHFFFAOYSA-N 2 2 285.461 -0.045 20 0 CBADLP O=C(NC1CC1)N[C@H]1CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000760905503 582313795 /nfs/dbraw/zinc/31/37/95/582313795.db2.gz FURYLTACIYKEPP-UONOGXRCSA-N 2 2 296.415 -0.021 20 0 CBADLP O=C(NC1CC1)N[C@H]1CC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000760905503 582313796 /nfs/dbraw/zinc/31/37/96/582313796.db2.gz FURYLTACIYKEPP-UONOGXRCSA-N 2 2 296.415 -0.021 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCOC[C@@H]2CCO)CC1 ZINC000801525828 582424542 /nfs/dbraw/zinc/42/45/42/582424542.db2.gz ORNAAJBPCAVVEL-ZDUSSCGKSA-N 2 2 285.388 -0.766 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCOC[C@@H]2CCO)CC1 ZINC000801525828 582424543 /nfs/dbraw/zinc/42/45/43/582424543.db2.gz ORNAAJBPCAVVEL-ZDUSSCGKSA-N 2 2 285.388 -0.766 20 0 CBADLP C[C@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)CCN1C ZINC000801525941 582424559 /nfs/dbraw/zinc/42/45/59/582424559.db2.gz STOMOMUFFWYBSD-ZDUSSCGKSA-N 2 2 268.405 -0.214 20 0 CBADLP C[C@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)CCN1C ZINC000801525941 582424560 /nfs/dbraw/zinc/42/45/60/582424560.db2.gz STOMOMUFFWYBSD-ZDUSSCGKSA-N 2 2 268.405 -0.214 20 0 CBADLP C[C@H]1CN(CCC(=O)N2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000801525941 582424561 /nfs/dbraw/zinc/42/45/61/582424561.db2.gz STOMOMUFFWYBSD-ZDUSSCGKSA-N 2 2 268.405 -0.214 20 0 CBADLP C[C@H]1CN(CCC(=O)N2CC[NH+](C)CC2)CC[N@H+]1C ZINC000801525941 582424562 /nfs/dbraw/zinc/42/45/62/582424562.db2.gz STOMOMUFFWYBSD-ZDUSSCGKSA-N 2 2 268.405 -0.214 20 0 CBADLP C[C@@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)CCN1C ZINC000801525940 582424568 /nfs/dbraw/zinc/42/45/68/582424568.db2.gz STOMOMUFFWYBSD-CYBMUJFWSA-N 2 2 268.405 -0.214 20 0 CBADLP C[C@@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)CCN1C ZINC000801525940 582424569 /nfs/dbraw/zinc/42/45/69/582424569.db2.gz STOMOMUFFWYBSD-CYBMUJFWSA-N 2 2 268.405 -0.214 20 0 CBADLP C[C@@H]1CN(CCC(=O)N2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000801525940 582424570 /nfs/dbraw/zinc/42/45/70/582424570.db2.gz STOMOMUFFWYBSD-CYBMUJFWSA-N 2 2 268.405 -0.214 20 0 CBADLP C[C@@H]1CN(CCC(=O)N2CC[NH+](C)CC2)CC[N@H+]1C ZINC000801525940 582424571 /nfs/dbraw/zinc/42/45/71/582424571.db2.gz STOMOMUFFWYBSD-CYBMUJFWSA-N 2 2 268.405 -0.214 20 0 CBADLP CC(C)C1(O)C[NH+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000801551650 582424679 /nfs/dbraw/zinc/42/46/79/582424679.db2.gz WFDSILFFLWNFBG-UHFFFAOYSA-N 2 2 269.389 -0.147 20 0 CBADLP O=C1CC[C@H]([N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)C(=O)N1 ZINC000801570799 582424819 /nfs/dbraw/zinc/42/48/19/582424819.db2.gz VWOMKCAZBDJITA-OLZOCXBDSA-N 2 2 295.383 -0.164 20 0 CBADLP O=C1CC[C@H]([N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)C(=O)N1 ZINC000801570799 582424820 /nfs/dbraw/zinc/42/48/20/582424820.db2.gz VWOMKCAZBDJITA-OLZOCXBDSA-N 2 2 295.383 -0.164 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000806696312 582437594 /nfs/dbraw/zinc/43/75/94/582437594.db2.gz BEFQTCYYOZMTKA-WCQYABFASA-N 2 2 278.356 -0.058 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000806696312 582437595 /nfs/dbraw/zinc/43/75/95/582437595.db2.gz BEFQTCYYOZMTKA-WCQYABFASA-N 2 2 278.356 -0.058 20 0 CBADLP C[NH+](C)C[C@H](CO)NC(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000808170410 582441780 /nfs/dbraw/zinc/44/17/80/582441780.db2.gz OVQWDGDLZOVGRK-GFCCVEGCSA-N 2 2 289.339 -0.080 20 0 CBADLP OC[C@@H]1CC[N@H+](C[C@H](O)C[NH+]2CCCC2)C[C@H]1O ZINC000808750249 582444265 /nfs/dbraw/zinc/44/42/65/582444265.db2.gz HEXIKUYDGDFVOE-YNEHKIRRSA-N 2 2 258.362 -0.882 20 0 CBADLP OC[C@@H]1CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C[C@H]1O ZINC000808750249 582444266 /nfs/dbraw/zinc/44/42/66/582444266.db2.gz HEXIKUYDGDFVOE-YNEHKIRRSA-N 2 2 258.362 -0.882 20 0 CBADLP C[N@H+](C[C@@H](O)C[NH2+]C1(CO)COC(C)(C)OC1)C1CC1 ZINC000812838235 582453165 /nfs/dbraw/zinc/45/31/65/582453165.db2.gz OAVRYLAKAQGUEB-LBPRGKRZSA-N 2 2 288.388 -0.455 20 0 CBADLP C[N@@H+](C[C@@H](O)C[NH2+]C1(CO)COC(C)(C)OC1)C1CC1 ZINC000812838235 582453166 /nfs/dbraw/zinc/45/31/66/582453166.db2.gz OAVRYLAKAQGUEB-LBPRGKRZSA-N 2 2 288.388 -0.455 20 0 CBADLP Cn1ncc(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)n1 ZINC000815125016 582461027 /nfs/dbraw/zinc/46/10/27/582461027.db2.gz RABWDNUQXLFPAY-ZDUSSCGKSA-N 2 2 294.403 -0.689 20 0 CBADLP Cn1ncc(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)n1 ZINC000815125015 582461068 /nfs/dbraw/zinc/46/10/68/582461068.db2.gz RABWDNUQXLFPAY-CYBMUJFWSA-N 2 2 294.403 -0.689 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH+]2CCC3(CC2)OCCCO3)CC1 ZINC000815157651 582461625 /nfs/dbraw/zinc/46/16/25/582461625.db2.gz VEBNUTHLSZBHOF-UHFFFAOYSA-N 2 2 297.399 -0.011 20 0 CBADLP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@H]1C[N@H+](C)CCO1 ZINC000821091839 582592527 /nfs/dbraw/zinc/59/25/27/582592527.db2.gz JBYDFHRAGAKQOS-VXGBXAGGSA-N 2 2 255.362 -0.083 20 0 CBADLP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000821091839 582592529 /nfs/dbraw/zinc/59/25/29/582592529.db2.gz JBYDFHRAGAKQOS-VXGBXAGGSA-N 2 2 255.362 -0.083 20 0 CBADLP C[C@H](NC(=O)C[NH+]1CCCC1)[C@H]1C[N@H+](C)CCO1 ZINC000821091837 582592669 /nfs/dbraw/zinc/59/26/69/582592669.db2.gz JBYDFHRAGAKQOS-NWDGAFQWSA-N 2 2 255.362 -0.083 20 0 CBADLP C[C@H](NC(=O)C[NH+]1CCCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000821091837 582592672 /nfs/dbraw/zinc/59/26/72/582592672.db2.gz JBYDFHRAGAKQOS-NWDGAFQWSA-N 2 2 255.362 -0.083 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000823727847 582678579 /nfs/dbraw/zinc/67/85/79/582678579.db2.gz PABSYHRISKDAIF-NSHDSACASA-N 2 2 266.345 -0.085 20 0 CBADLP C[C@@H]1OCCO[C@@H]1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000824958388 582716911 /nfs/dbraw/zinc/71/69/11/582716911.db2.gz XDIJNHDOIKGWEP-STQMWFEESA-N 2 2 287.404 -0.210 20 0 CBADLP C[C@@H]1OCCO[C@@H]1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000824958388 582716913 /nfs/dbraw/zinc/71/69/13/582716913.db2.gz XDIJNHDOIKGWEP-STQMWFEESA-N 2 2 287.404 -0.210 20 0 CBADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C)C[C@@H]1CO ZINC000826707779 582786563 /nfs/dbraw/zinc/78/65/63/582786563.db2.gz NARAXHUOWJXYOR-CHWSQXEVSA-N 2 2 269.389 -0.006 20 0 CBADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C)C[C@@H]1CO ZINC000826707779 582786567 /nfs/dbraw/zinc/78/65/67/582786567.db2.gz NARAXHUOWJXYOR-CHWSQXEVSA-N 2 2 269.389 -0.006 20 0 CBADLP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000826707779 582786569 /nfs/dbraw/zinc/78/65/69/582786569.db2.gz NARAXHUOWJXYOR-CHWSQXEVSA-N 2 2 269.389 -0.006 20 0 CBADLP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000826707779 582786571 /nfs/dbraw/zinc/78/65/71/582786571.db2.gz NARAXHUOWJXYOR-CHWSQXEVSA-N 2 2 269.389 -0.006 20 0 CBADLP O=C(NC[C@]1(CO)COCC[NH2+]1)c1cc2c[nH+]ccc2[nH]1 ZINC000827576844 582824365 /nfs/dbraw/zinc/82/43/65/582824365.db2.gz BRAFGNKDSVGGCT-AWEZNQCLSA-N 2 2 290.323 -0.356 20 0 CBADLP COc1c(C)c[nH+]c(CNC(=O)CNC(=O)C[NH3+])c1C ZINC000827975069 582837781 /nfs/dbraw/zinc/83/77/81/582837781.db2.gz CIJSYCBATJLICQ-UHFFFAOYSA-N 2 2 280.328 -0.602 20 0 CBADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C)[C@H](CO)C1 ZINC000827983142 582838128 /nfs/dbraw/zinc/83/81/28/582838128.db2.gz IIMSVMMAFAJNKI-QWHCGFSZSA-N 2 2 269.389 -0.006 20 0 CBADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C)[C@H](CO)C1 ZINC000827983142 582838130 /nfs/dbraw/zinc/83/81/30/582838130.db2.gz IIMSVMMAFAJNKI-QWHCGFSZSA-N 2 2 269.389 -0.006 20 0 CBADLP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000827983142 582838132 /nfs/dbraw/zinc/83/81/32/582838132.db2.gz IIMSVMMAFAJNKI-QWHCGFSZSA-N 2 2 269.389 -0.006 20 0 CBADLP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000827983142 582838133 /nfs/dbraw/zinc/83/81/33/582838133.db2.gz IIMSVMMAFAJNKI-QWHCGFSZSA-N 2 2 269.389 -0.006 20 0 CBADLP Cn1cc[nH+]c1CN1CCN(C(=O)[C@]2(F)CC[NH2+]C2)CC1 ZINC000828832250 582874258 /nfs/dbraw/zinc/87/42/58/582874258.db2.gz LTMRKNVISAICIF-AWEZNQCLSA-N 2 2 295.362 -0.234 20 0 CBADLP C[C@@H](CNC(=O)C[C@@H]([NH3+])C1CC1)[NH+]1CCN(C)CC1 ZINC000829918601 582906528 /nfs/dbraw/zinc/90/65/28/582906528.db2.gz TUIZCNXIZCGXRH-WCQYABFASA-N 2 2 268.405 -0.134 20 0 CBADLP C[NH+]1CCC2(CC1)C[N@@H+]([C@H]1CCC(=O)NC1=O)CCO2 ZINC000830652064 582937272 /nfs/dbraw/zinc/93/72/72/582937272.db2.gz LSYKGPHHHYHZNG-NSHDSACASA-N 2 2 281.356 -0.412 20 0 CBADLP C[NH+]1CCC2(CC1)C[N@H+]([C@H]1CCC(=O)NC1=O)CCO2 ZINC000830652064 582937274 /nfs/dbraw/zinc/93/72/74/582937274.db2.gz LSYKGPHHHYHZNG-NSHDSACASA-N 2 2 281.356 -0.412 20 0 CBADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[N@@H+]1CCO ZINC000832547627 583029198 /nfs/dbraw/zinc/02/91/98/583029198.db2.gz JNUMJLZVGSDBSP-SNVBAGLBSA-N 2 2 252.318 -0.523 20 0 CBADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[N@H+]1CCO ZINC000832547627 583029200 /nfs/dbraw/zinc/02/92/00/583029200.db2.gz JNUMJLZVGSDBSP-SNVBAGLBSA-N 2 2 252.318 -0.523 20 0 CBADLP C[N@@H+]1CCN(C(=O)CCCn2cccn2)[C@H](C[NH3+])C1 ZINC000834299330 583119704 /nfs/dbraw/zinc/11/97/04/583119704.db2.gz OUVDNZSMQFWGNS-GFCCVEGCSA-N 2 2 265.361 -0.235 20 0 CBADLP C[N@H+]1CCN(C(=O)CCCn2cccn2)[C@H](C[NH3+])C1 ZINC000834299330 583119707 /nfs/dbraw/zinc/11/97/07/583119707.db2.gz OUVDNZSMQFWGNS-GFCCVEGCSA-N 2 2 265.361 -0.235 20 0 CBADLP C[N@@H+]1CCN(C(=O)CN2CCSC2=O)[C@H](C[NH3+])C1 ZINC000834303782 583120317 /nfs/dbraw/zinc/12/03/17/583120317.db2.gz OWWWIRLEGJGOGK-SECBINFHSA-N 2 2 272.374 -0.744 20 0 CBADLP C[N@H+]1CCN(C(=O)CN2CCSC2=O)[C@H](C[NH3+])C1 ZINC000834303782 583120319 /nfs/dbraw/zinc/12/03/19/583120319.db2.gz OWWWIRLEGJGOGK-SECBINFHSA-N 2 2 272.374 -0.744 20 0 CBADLP [NH3+]CCOc1cccc(NC(=O)CN2CC[NH2+]CC2=O)c1 ZINC000841847714 583174901 /nfs/dbraw/zinc/17/49/01/583174901.db2.gz INRBGIUYURFWDC-UHFFFAOYSA-N 2 2 292.339 -0.606 20 0 CBADLP C[N@@H+]1CCN(C(=O)NC[C@@H]2COC(C)(C)O2)[C@@H](C[NH3+])C1 ZINC000841876039 583175555 /nfs/dbraw/zinc/17/55/55/583175555.db2.gz QCLYTXAZHZNQSN-WDEREUQCSA-N 2 2 286.376 -0.578 20 0 CBADLP C[N@H+]1CCN(C(=O)NC[C@@H]2COC(C)(C)O2)[C@@H](C[NH3+])C1 ZINC000841876039 583175557 /nfs/dbraw/zinc/17/55/57/583175557.db2.gz QCLYTXAZHZNQSN-WDEREUQCSA-N 2 2 286.376 -0.578 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000842512881 583185003 /nfs/dbraw/zinc/18/50/03/583185003.db2.gz IWPHXXDVCUYHIO-OAHLLOKOSA-N 2 2 296.415 -0.203 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000842512881 583185004 /nfs/dbraw/zinc/18/50/04/583185004.db2.gz IWPHXXDVCUYHIO-OAHLLOKOSA-N 2 2 296.415 -0.203 20 0 CBADLP C[N@@H+]1CCN(C(=O)CCCn2ccccc2=O)[C@H](C[NH3+])C1 ZINC000843357148 583212670 /nfs/dbraw/zinc/21/26/70/583212670.db2.gz FFNLOBDDPTUZCF-CYBMUJFWSA-N 2 2 292.383 -0.270 20 0 CBADLP C[N@H+]1CCN(C(=O)CCCn2ccccc2=O)[C@H](C[NH3+])C1 ZINC000843357148 583212673 /nfs/dbraw/zinc/21/26/73/583212673.db2.gz FFNLOBDDPTUZCF-CYBMUJFWSA-N 2 2 292.383 -0.270 20 0 CBADLP O=C1OCC[C@H]1[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000843369819 583212988 /nfs/dbraw/zinc/21/29/88/583212988.db2.gz VPVLZHUBOKYPBX-GHMZBOCLSA-N 2 2 267.329 -0.802 20 0 CBADLP O=C1OCC[C@H]1[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000843369819 583212992 /nfs/dbraw/zinc/21/29/92/583212992.db2.gz VPVLZHUBOKYPBX-GHMZBOCLSA-N 2 2 267.329 -0.802 20 0 CBADLP O=C(NC[C@H]1CC[NH2+]CC1(F)F)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000843483876 583226724 /nfs/dbraw/zinc/22/67/24/583226724.db2.gz KQBJITMNCZTJRE-IMSYWVGJSA-N 2 2 259.300 -0.187 20 0 CBADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@@H]([NH3+])C2CC2)CC1 ZINC000843487393 583227242 /nfs/dbraw/zinc/22/72/42/583227242.db2.gz RBJORBXTQIBGFL-CYBMUJFWSA-N 2 2 296.415 -0.216 20 0 CBADLP CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@@H]([NH3+])C2CC2)CC1 ZINC000843487393 583227246 /nfs/dbraw/zinc/22/72/46/583227246.db2.gz RBJORBXTQIBGFL-CYBMUJFWSA-N 2 2 296.415 -0.216 20 0 CBADLP COCCN(CC[NH+](C)C)C(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC000843489246 583227912 /nfs/dbraw/zinc/22/79/12/583227912.db2.gz KAPNRWBNPXWONV-UHFFFAOYSA-N 2 2 295.387 -0.294 20 0 CBADLP CC[NH2+]CC(=O)N1CC[NH+]([C@@H](C)CC(=O)OC)CC1 ZINC000843491299 583228219 /nfs/dbraw/zinc/22/82/19/583228219.db2.gz PTXSZDPIKDKSMX-NSHDSACASA-N 2 2 271.361 -0.308 20 0 CBADLP C[C@H](NC(=O)CO[C@@H]1CCC[NH2+]C1)[C@H](C)[NH+]1CCOCC1 ZINC000844183415 583258769 /nfs/dbraw/zinc/25/87/69/583258769.db2.gz ZUVWBCIFOONTKQ-MELADBBJSA-N 2 2 299.415 -0.020 20 0 CBADLP CC[NH2+]CC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000844185150 583259500 /nfs/dbraw/zinc/25/95/00/583259500.db2.gz GYLAANSUNGKNAV-GFCCVEGCSA-N 3 2 268.405 -0.119 20 0 CBADLP CC[NH2+]CC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000844185150 583259503 /nfs/dbraw/zinc/25/95/03/583259503.db2.gz GYLAANSUNGKNAV-GFCCVEGCSA-N 3 2 268.405 -0.119 20 0 CBADLP O=C(CO[C@@H]1CCC[NH2+]C1)NCCc1[nH]cc[nH+]1 ZINC000844185245 583259595 /nfs/dbraw/zinc/25/95/95/583259595.db2.gz KKYWQTCOWLRBRJ-SNVBAGLBSA-N 2 2 252.318 -0.163 20 0 CBADLP CC[NH2+]CC(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000844189506 583260068 /nfs/dbraw/zinc/26/00/68/583260068.db2.gz OYBVZLQHMAFXFW-ZDUSSCGKSA-N 2 2 296.415 -0.249 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ccc(-n2nccn2)nc1 ZINC000846672044 583382096 /nfs/dbraw/zinc/38/20/96/583382096.db2.gz BDEBMYMPNKNORQ-NSHDSACASA-N 2 2 289.343 -0.120 20 0 CBADLP CCOC(=O)N1CC[C@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000846682353 583383133 /nfs/dbraw/zinc/38/31/33/583383133.db2.gz OHEQUFUILSHCOX-QWRGUYRKSA-N 2 2 286.376 -0.388 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CCCCNC1=O ZINC000846799663 583387991 /nfs/dbraw/zinc/38/79/91/583387991.db2.gz VTFVBFMXHBKSMJ-NWDGAFQWSA-N 2 2 257.378 -0.101 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CCCCNC1=O ZINC000846799663 583387994 /nfs/dbraw/zinc/38/79/94/583387994.db2.gz VTFVBFMXHBKSMJ-NWDGAFQWSA-N 2 2 257.378 -0.101 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@@H]1CCCCNC1=O ZINC000846799663 583387996 /nfs/dbraw/zinc/38/79/96/583387996.db2.gz VTFVBFMXHBKSMJ-NWDGAFQWSA-N 2 2 257.378 -0.101 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H]1CCCCNC1=O ZINC000846799663 583387998 /nfs/dbraw/zinc/38/79/98/583387998.db2.gz VTFVBFMXHBKSMJ-NWDGAFQWSA-N 2 2 257.378 -0.101 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(c2nnc[nH]2)CC1 ZINC000846813984 583388365 /nfs/dbraw/zinc/38/83/65/583388365.db2.gz MPKSNCXDSODSBE-ZDUSSCGKSA-N 2 2 297.403 -0.077 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC(c2nnc[nH]2)CC1 ZINC000846813984 583388368 /nfs/dbraw/zinc/38/83/68/583388368.db2.gz MPKSNCXDSODSBE-ZDUSSCGKSA-N 2 2 297.403 -0.077 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@H]2C[C@@]2(CO)C1 ZINC000846868913 583390551 /nfs/dbraw/zinc/39/05/51/583390551.db2.gz URMJVYUZTRZWTQ-AGIUHOORSA-N 2 2 258.362 -0.760 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H]2C[C@@]2(CO)C1 ZINC000846868913 583390554 /nfs/dbraw/zinc/39/05/54/583390554.db2.gz URMJVYUZTRZWTQ-AGIUHOORSA-N 2 2 258.362 -0.760 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000846868913 583390556 /nfs/dbraw/zinc/39/05/56/583390556.db2.gz URMJVYUZTRZWTQ-AGIUHOORSA-N 2 2 258.362 -0.760 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000846868913 583390559 /nfs/dbraw/zinc/39/05/59/583390559.db2.gz URMJVYUZTRZWTQ-AGIUHOORSA-N 2 2 258.362 -0.760 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCCN(C=O)CC1 ZINC000846913420 583392423 /nfs/dbraw/zinc/39/24/23/583392423.db2.gz BJPLWNHLFJTGTI-ZDUSSCGKSA-N 2 2 273.377 -0.910 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCCN(C=O)CC1 ZINC000846913420 583392425 /nfs/dbraw/zinc/39/24/25/583392425.db2.gz BJPLWNHLFJTGTI-ZDUSSCGKSA-N 2 2 273.377 -0.910 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCCN(C=O)CC1 ZINC000846913420 583392428 /nfs/dbraw/zinc/39/24/28/583392428.db2.gz BJPLWNHLFJTGTI-ZDUSSCGKSA-N 2 2 273.377 -0.910 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCCN(C=O)CC1 ZINC000846913420 583392432 /nfs/dbraw/zinc/39/24/32/583392432.db2.gz BJPLWNHLFJTGTI-ZDUSSCGKSA-N 2 2 273.377 -0.910 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000847010248 583396594 /nfs/dbraw/zinc/39/65/94/583396594.db2.gz LMLCTMRKHRGYII-UTUOFQBUSA-N 2 2 271.361 -0.271 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000847010248 583396597 /nfs/dbraw/zinc/39/65/97/583396597.db2.gz LMLCTMRKHRGYII-UTUOFQBUSA-N 2 2 271.361 -0.271 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000847010248 583396600 /nfs/dbraw/zinc/39/66/00/583396600.db2.gz LMLCTMRKHRGYII-UTUOFQBUSA-N 2 2 271.361 -0.271 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000847010248 583396602 /nfs/dbraw/zinc/39/66/02/583396602.db2.gz LMLCTMRKHRGYII-UTUOFQBUSA-N 2 2 271.361 -0.271 20 0 CBADLP O=C1CC[C@@H]([N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)C(=O)N1 ZINC000852008137 583533452 /nfs/dbraw/zinc/53/34/52/583533452.db2.gz FIMRAPIRMVKQMR-QWHCGFSZSA-N 2 2 295.383 -0.022 20 0 CBADLP O=C1CC[C@@H]([N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)C(=O)N1 ZINC000852008137 583533454 /nfs/dbraw/zinc/53/34/54/583533454.db2.gz FIMRAPIRMVKQMR-QWHCGFSZSA-N 2 2 295.383 -0.022 20 0 CBADLP COC(=O)N1CCC(C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])CC1 ZINC000852800059 583553588 /nfs/dbraw/zinc/55/35/88/583553588.db2.gz YSLSNZZAUPEXRK-LBPRGKRZSA-N 2 2 298.387 -0.434 20 0 CBADLP COC(=O)N1CCC(C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])CC1 ZINC000852800059 583553590 /nfs/dbraw/zinc/55/35/90/583553590.db2.gz YSLSNZZAUPEXRK-LBPRGKRZSA-N 2 2 298.387 -0.434 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@]2(F)CC[NH2+]C2)[C@@H](C)CO1 ZINC000852847533 583560288 /nfs/dbraw/zinc/56/02/88/583560288.db2.gz SWEBJBBYQUKUTD-LOWVWBTDSA-N 2 2 273.352 -0.087 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@]2(F)CC[NH2+]C2)[C@@H](C)CO1 ZINC000852847533 583560290 /nfs/dbraw/zinc/56/02/90/583560290.db2.gz SWEBJBBYQUKUTD-LOWVWBTDSA-N 2 2 273.352 -0.087 20 0 CBADLP O=C(N1CC[NH+]([C@@H]2CCOC2)CC1)[C@]1(F)CC[NH2+]C1 ZINC000852853581 583561109 /nfs/dbraw/zinc/56/11/09/583561109.db2.gz JWCFOLJOZKRFLO-YPMHNXCESA-N 2 2 271.336 -0.379 20 0 CBADLP Cc1[nH+]ccn1-c1ccc(NC(=O)C2(O)C[NH2+]C2)cn1 ZINC000852859607 583562090 /nfs/dbraw/zinc/56/20/90/583562090.db2.gz WNKIIPGOXAYIDA-UHFFFAOYSA-N 2 2 273.296 -0.151 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)C2=NO[C@@H](C[NH3+])C2)[C@@H](C)CO1 ZINC000852903117 583572676 /nfs/dbraw/zinc/57/26/76/583572676.db2.gz VNUAUVNDVYCEFY-HBNTYKKESA-N 2 2 284.360 -0.685 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)C2=NO[C@@H](C[NH3+])C2)[C@@H](C)CO1 ZINC000852903117 583572679 /nfs/dbraw/zinc/57/26/79/583572679.db2.gz VNUAUVNDVYCEFY-HBNTYKKESA-N 2 2 284.360 -0.685 20 0 CBADLP [NH3+]C[C@@H]1CC(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)=NO1 ZINC000852906746 583573298 /nfs/dbraw/zinc/57/32/98/583573298.db2.gz QHUONFVQZZOLPS-MNOVXSKESA-N 2 2 282.344 -0.977 20 0 CBADLP CN(Cc1c[nH+]c[nH]1)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000852920862 583574972 /nfs/dbraw/zinc/57/49/72/583574972.db2.gz HAGWZTXOTDVZMW-KOLCDFICSA-N 2 2 277.328 -0.812 20 0 CBADLP CN(Cc1c[nH]c[nH+]1)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000852920862 583574974 /nfs/dbraw/zinc/57/49/74/583574974.db2.gz HAGWZTXOTDVZMW-KOLCDFICSA-N 2 2 277.328 -0.812 20 0 CBADLP Cc1nc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)no1 ZINC000853825339 583590725 /nfs/dbraw/zinc/59/07/25/583590725.db2.gz KHIDWRBVLNMARN-UHFFFAOYSA-N 2 2 269.349 -0.009 20 0 CBADLP Cc1nc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)no1 ZINC000853825339 583590727 /nfs/dbraw/zinc/59/07/27/583590727.db2.gz KHIDWRBVLNMARN-UHFFFAOYSA-N 2 2 269.349 -0.009 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1CCCC[N@H+]1CCO ZINC000854742229 583618011 /nfs/dbraw/zinc/61/80/11/583618011.db2.gz BJTLHLSETFXCHI-NSHDSACASA-N 2 2 266.345 -0.085 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000854742229 583618013 /nfs/dbraw/zinc/61/80/13/583618013.db2.gz BJTLHLSETFXCHI-NSHDSACASA-N 2 2 266.345 -0.085 20 0 CBADLP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC000854955208 583629789 /nfs/dbraw/zinc/62/97/89/583629789.db2.gz QRIZIFDFXGRDIO-GHMZBOCLSA-N 2 2 266.345 -0.134 20 0 CBADLP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC000854955208 583629790 /nfs/dbraw/zinc/62/97/90/583629790.db2.gz QRIZIFDFXGRDIO-GHMZBOCLSA-N 2 2 266.345 -0.134 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1CCNC(=O)CC1 ZINC000855414997 583638471 /nfs/dbraw/zinc/63/84/71/583638471.db2.gz PHVRSLXGGBPABH-ZDUSSCGKSA-N 2 2 298.431 -0.098 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1CCNC(=O)CC1 ZINC000855414997 583638474 /nfs/dbraw/zinc/63/84/74/583638474.db2.gz PHVRSLXGGBPABH-ZDUSSCGKSA-N 2 2 298.431 -0.098 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CC1OCCO1 ZINC000855414572 583638561 /nfs/dbraw/zinc/63/85/61/583638561.db2.gz HXMKPUSNCBSYFY-UHFFFAOYSA-N 2 2 273.377 -0.251 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CC1OCCO1 ZINC000855414572 583638563 /nfs/dbraw/zinc/63/85/63/583638563.db2.gz HXMKPUSNCBSYFY-UHFFFAOYSA-N 2 2 273.377 -0.251 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C[C@@H]1CCC(=O)N1 ZINC000855416954 583638853 /nfs/dbraw/zinc/63/88/53/583638853.db2.gz RAPWLHDITDUDGO-LBPRGKRZSA-N 2 2 284.404 -0.345 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C[C@@H]1CCC(=O)N1 ZINC000855416954 583638856 /nfs/dbraw/zinc/63/88/56/583638856.db2.gz RAPWLHDITDUDGO-LBPRGKRZSA-N 2 2 284.404 -0.345 20 0 CBADLP CCn1ncc(C[N@H+](C)CCN2CC[NH2+]CC2)n1 ZINC000857083870 583663698 /nfs/dbraw/zinc/66/36/98/583663698.db2.gz JYLQRWAFYBLONS-UHFFFAOYSA-N 2 2 252.366 -0.365 20 0 CBADLP CCn1ncc(C[N@@H+](C)CCN2CC[NH2+]CC2)n1 ZINC000857083870 583663700 /nfs/dbraw/zinc/66/37/00/583663700.db2.gz JYLQRWAFYBLONS-UHFFFAOYSA-N 2 2 252.366 -0.365 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NCC[C@H](C)[NH3+] ZINC000857101870 583664190 /nfs/dbraw/zinc/66/41/90/583664190.db2.gz MVPPFLJEMIGOJS-WDEREUQCSA-N 2 2 258.366 -0.256 20 0 CBADLP C[C@H]([NH3+])CCNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000857107083 583665038 /nfs/dbraw/zinc/66/50/38/583665038.db2.gz KQNKJEJOPCVFKD-NWDGAFQWSA-N 2 2 270.377 -0.160 20 0 CBADLP CC[N@@H+]1CCOC[C@@H]1C(=O)NC1CC([NH+](C)C)C1 ZINC000857227983 583667541 /nfs/dbraw/zinc/66/75/41/583667541.db2.gz CQJILBOCZBZILZ-HTAVTVPLSA-N 2 2 255.362 -0.084 20 0 CBADLP CC[N@H+]1CCOC[C@@H]1C(=O)NC1CC([NH+](C)C)C1 ZINC000857227983 583667543 /nfs/dbraw/zinc/66/75/43/583667543.db2.gz CQJILBOCZBZILZ-HTAVTVPLSA-N 2 2 255.362 -0.084 20 0 CBADLP O=C(N[C@@H]1CCn2c[nH+]cc2C1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000857948933 583685400 /nfs/dbraw/zinc/68/54/00/583685400.db2.gz UCTCLMRHEGZFPX-TZMCWYRMSA-N 2 2 289.383 -0.296 20 0 CBADLP O=C(N[C@@H]1CCn2c[nH+]cc2C1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000857948933 583685403 /nfs/dbraw/zinc/68/54/03/583685403.db2.gz UCTCLMRHEGZFPX-TZMCWYRMSA-N 2 2 289.383 -0.296 20 0 CBADLP Nc1nc(N)[nH+]c(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)n1 ZINC000858374637 583693305 /nfs/dbraw/zinc/69/33/05/583693305.db2.gz RFFWTAAPDJWTTI-SFYZADRCSA-N 2 2 265.321 -0.689 20 0 CBADLP Nc1nc(N)[nH+]c(NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)n1 ZINC000858374637 583693309 /nfs/dbraw/zinc/69/33/09/583693309.db2.gz RFFWTAAPDJWTTI-SFYZADRCSA-N 2 2 265.321 -0.689 20 0 CBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)c1cc[nH+]c(CO)c1 ZINC000858438589 583695092 /nfs/dbraw/zinc/69/50/92/583695092.db2.gz DHYHFYJRMKQZHG-CQSZACIVSA-N 2 2 281.356 -0.297 20 0 CBADLP CC(C)(C(N)=O)[NH+]1CCN(c2cc[nH+]c(CO)c2)CC1 ZINC000858440148 583695107 /nfs/dbraw/zinc/69/51/07/583695107.db2.gz ZCPQUHDTZYFIBS-UHFFFAOYSA-N 2 2 278.356 -0.040 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H]3COC(=O)N3)C2)CC1 ZINC000859337329 583715089 /nfs/dbraw/zinc/71/50/89/583715089.db2.gz JJRWLYRWBZKGKL-PWSUYJOCSA-N 2 2 296.371 -0.621 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H]3COC(=O)N3)C2)CC1 ZINC000859337329 583715092 /nfs/dbraw/zinc/71/50/92/583715092.db2.gz JJRWLYRWBZKGKL-PWSUYJOCSA-N 2 2 296.371 -0.621 20 0 CBADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H]2CCOC(=O)N2)CC1 ZINC000859884285 583731831 /nfs/dbraw/zinc/73/18/31/583731831.db2.gz WMLIHCPNVOJYLF-LBPRGKRZSA-N 2 2 298.387 -0.373 20 0 CBADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H]2COC(=O)N2)CC1 ZINC000859883781 583731836 /nfs/dbraw/zinc/73/18/36/583731836.db2.gz LIPMFKXQTDIASP-NSHDSACASA-N 2 2 284.360 -0.763 20 0 CBADLP C[N@H+](C[C@H](O)C[NH+]1C[C@@H]2COC(=O)[C@@H]2C1)C1CC1 ZINC000860167866 583740421 /nfs/dbraw/zinc/74/04/21/583740421.db2.gz LZDFQKJTDFVNJQ-ADEWGFFLSA-N 2 2 254.330 -0.454 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH+]1C[C@@H]2COC(=O)[C@@H]2C1)C1CC1 ZINC000860167866 583740422 /nfs/dbraw/zinc/74/04/22/583740422.db2.gz LZDFQKJTDFVNJQ-ADEWGFFLSA-N 2 2 254.330 -0.454 20 0 CBADLP C[NH+](C[C@H](O)C[N@@H+]1C[C@@H]2COC(=O)[C@@H]2C1)C1CC1 ZINC000860167866 583740423 /nfs/dbraw/zinc/74/04/23/583740423.db2.gz LZDFQKJTDFVNJQ-ADEWGFFLSA-N 2 2 254.330 -0.454 20 0 CBADLP C[NH+](C[C@H](O)C[N@H+]1C[C@@H]2COC(=O)[C@@H]2C1)C1CC1 ZINC000860167866 583740424 /nfs/dbraw/zinc/74/04/24/583740424.db2.gz LZDFQKJTDFVNJQ-ADEWGFFLSA-N 2 2 254.330 -0.454 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860167915 583740831 /nfs/dbraw/zinc/74/08/31/583740831.db2.gz NASNIDPHPCSJED-GRYCIOLGSA-N 2 2 272.345 -0.970 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860167915 583740833 /nfs/dbraw/zinc/74/08/33/583740833.db2.gz NASNIDPHPCSJED-GRYCIOLGSA-N 2 2 272.345 -0.970 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860167915 583740836 /nfs/dbraw/zinc/74/08/36/583740836.db2.gz NASNIDPHPCSJED-GRYCIOLGSA-N 2 2 272.345 -0.970 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860167915 583740838 /nfs/dbraw/zinc/74/08/38/583740838.db2.gz NASNIDPHPCSJED-GRYCIOLGSA-N 2 2 272.345 -0.970 20 0 CBADLP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000861731446 583782017 /nfs/dbraw/zinc/78/20/17/583782017.db2.gz AQCWYPSBCYACHR-SNVBAGLBSA-N 2 2 289.339 -0.244 20 0 CBADLP Cn1cc([C@H](O)C[NH2+]C[C@@H](O)C[NH+]2CCCC2)cn1 ZINC000863561214 583847010 /nfs/dbraw/zinc/84/70/10/583847010.db2.gz DAHGQFBFFGALAQ-CHWSQXEVSA-N 2 2 268.361 -0.500 20 0 CBADLP CON(C)C(=O)CC[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000863571412 583847339 /nfs/dbraw/zinc/84/73/39/583847339.db2.gz XZRWRIKWCJGWQT-NSHDSACASA-N 2 2 286.376 -0.674 20 0 CBADLP CON(C)C(=O)CC[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000863571412 583847341 /nfs/dbraw/zinc/84/73/41/583847341.db2.gz XZRWRIKWCJGWQT-NSHDSACASA-N 2 2 286.376 -0.674 20 0 CBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C[C@@H]([NH3+])C1CC1 ZINC000863582232 583847618 /nfs/dbraw/zinc/84/76/18/583847618.db2.gz DUEOQPAZZBRVMP-CHWSQXEVSA-N 2 2 285.388 -0.735 20 0 CBADLP C[N@@H+]1CCN(C(=O)COCc2cccnc2)[C@H](C[NH3+])C1 ZINC000863585227 583847673 /nfs/dbraw/zinc/84/76/73/583847673.db2.gz RTVVVDKSLNWPNP-CYBMUJFWSA-N 2 2 278.356 -0.301 20 0 CBADLP C[N@H+]1CCN(C(=O)COCc2cccnc2)[C@H](C[NH3+])C1 ZINC000863585227 583847674 /nfs/dbraw/zinc/84/76/74/583847674.db2.gz RTVVVDKSLNWPNP-CYBMUJFWSA-N 2 2 278.356 -0.301 20 0 CBADLP CON(C)C(=O)[C@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000863587606 583847922 /nfs/dbraw/zinc/84/79/22/583847922.db2.gz QDYXWQLFCUYUKX-GXSJLCMTSA-N 2 2 259.350 -0.561 20 0 CBADLP CON(C)C(=O)[C@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000863587606 583847924 /nfs/dbraw/zinc/84/79/24/583847924.db2.gz QDYXWQLFCUYUKX-GXSJLCMTSA-N 2 2 259.350 -0.561 20 0 CBADLP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000863750897 583852591 /nfs/dbraw/zinc/85/25/91/583852591.db2.gz YWEPUMBKQSDFCH-WDEREUQCSA-N 2 2 293.371 -0.079 20 0 CBADLP COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)Cn1c[nH+]cc1C ZINC000863907122 583860880 /nfs/dbraw/zinc/86/08/80/583860880.db2.gz BFAYIKRFTDVTBZ-LLVKDONJSA-N 2 2 291.311 -0.254 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCn1cc([C@@]2(O)CCOC2)nn1 ZINC000864646272 583885301 /nfs/dbraw/zinc/88/53/01/583885301.db2.gz XZUALMIHYWHOKP-CQSZACIVSA-N 2 2 297.403 -0.231 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCn1cc([C@@]2(O)CCOC2)nn1 ZINC000864646272 583885303 /nfs/dbraw/zinc/88/53/03/583885303.db2.gz XZUALMIHYWHOKP-CQSZACIVSA-N 2 2 297.403 -0.231 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCn1cc(CON)nn1 ZINC000864645593 583885435 /nfs/dbraw/zinc/88/54/35/583885435.db2.gz FZCPYNZQCLMEIW-UHFFFAOYSA-N 2 2 256.354 -0.448 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCn1cc(CON)nn1 ZINC000864645593 583885437 /nfs/dbraw/zinc/88/54/37/583885437.db2.gz FZCPYNZQCLMEIW-UHFFFAOYSA-N 2 2 256.354 -0.448 20 0 CBADLP CC(C)[NH+]1CCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)CC1 ZINC000864803300 583888980 /nfs/dbraw/zinc/88/89/80/583888980.db2.gz ZXOHLQPFXRWIEH-NSHDSACASA-N 2 2 252.318 -0.004 20 0 CBADLP C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000865124420 583897550 /nfs/dbraw/zinc/89/75/50/583897550.db2.gz ARGVOQYQELJMJP-KOLCDFICSA-N 2 2 252.318 -0.004 20 0 CBADLP C[NH+](C)[C@H]1CCCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)C1 ZINC000865130589 583898018 /nfs/dbraw/zinc/89/80/18/583898018.db2.gz OOMDOHBAGUYSTB-ONGXEEELSA-N 2 2 252.318 -0.004 20 0 CBADLP C[C@H](O)C[NH+]1CCN(C(=O)/C=C\C[NH+]2CCOCC2)CC1 ZINC000865190511 583899954 /nfs/dbraw/zinc/89/99/54/583899954.db2.gz VBJMXPHAQGFEHM-SFAKSCPVSA-N 2 2 297.399 -0.600 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@@]12COCCN1C(=O)COC2 ZINC000865798258 583909701 /nfs/dbraw/zinc/90/97/01/583909701.db2.gz RJXIAXGXNMCDHG-BZPMIXESSA-N 2 2 283.372 -0.846 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@@]12COCCN1C(=O)COC2 ZINC000865798258 583909703 /nfs/dbraw/zinc/90/97/03/583909703.db2.gz RJXIAXGXNMCDHG-BZPMIXESSA-N 2 2 283.372 -0.846 20 0 CBADLP COCCC[N@H+](C)CCNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000866074857 583915457 /nfs/dbraw/zinc/91/54/57/583915457.db2.gz HOLMGVUSAZHFIS-HYXAFXHYSA-N 2 2 299.415 -0.041 20 0 CBADLP CCOC(=O)[C@H](C)[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866712685 583928440 /nfs/dbraw/zinc/92/84/40/583928440.db2.gz VMDCGCKQAQMULT-QCNOEVLYSA-N 2 2 297.355 -0.195 20 0 CBADLP CCOC(=O)[C@H](C)[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866712685 583928442 /nfs/dbraw/zinc/92/84/42/583928442.db2.gz VMDCGCKQAQMULT-QCNOEVLYSA-N 2 2 297.355 -0.195 20 0 CBADLP O=C(CC[N@@H+]1CCC[C@H]2[NH2+]CC[C@@H]21)N1CC[NH2+]CC1 ZINC000866724100 583928955 /nfs/dbraw/zinc/92/89/55/583928955.db2.gz IDEKSZGVRQAQCM-OLZOCXBDSA-N 3 2 266.389 -0.365 20 0 CBADLP O=C(CC[N@H+]1CCC[C@H]2[NH2+]CC[C@@H]21)N1CC[NH2+]CC1 ZINC000866724100 583928958 /nfs/dbraw/zinc/92/89/58/583928958.db2.gz IDEKSZGVRQAQCM-OLZOCXBDSA-N 3 2 266.389 -0.365 20 0 CBADLP C[C@H](NC(=O)/C=C\C[NH+]1CCOCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000866800705 583933281 /nfs/dbraw/zinc/93/32/81/583933281.db2.gz YDIXCDMRDMLUIC-NMEQGOOXSA-N 2 2 297.399 -0.290 20 0 CBADLP C[C@H](NC(=O)/C=C\C[NH+]1CCOCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000866800705 583933283 /nfs/dbraw/zinc/93/32/83/583933283.db2.gz YDIXCDMRDMLUIC-NMEQGOOXSA-N 2 2 297.399 -0.290 20 0 CBADLP CC[N@@H+]1CCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)C[C@H]1C ZINC000866950162 583937583 /nfs/dbraw/zinc/93/75/83/583937583.db2.gz YRKBIJIXMHJCRU-MWLCHTKSSA-N 2 2 252.318 -0.004 20 0 CBADLP CC[N@H+]1CCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)C[C@H]1C ZINC000866950162 583937585 /nfs/dbraw/zinc/93/75/85/583937585.db2.gz YRKBIJIXMHJCRU-MWLCHTKSSA-N 2 2 252.318 -0.004 20 0 CBADLP CC[N@H+](CCO)CCNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000867462567 583954621 /nfs/dbraw/zinc/95/46/21/583954621.db2.gz UCSNFGNEUSXCAE-ARJAWSKDSA-N 2 2 285.388 -0.695 20 0 CBADLP CC[N@@H+](CCO)CCNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000867462567 583954622 /nfs/dbraw/zinc/95/46/22/583954622.db2.gz UCSNFGNEUSXCAE-ARJAWSKDSA-N 2 2 285.388 -0.695 20 0 CBADLP CC1(C)CN(C(=O)[C@H](O)c2c[nH+]c[nH]2)CC[N@@H+]1CCO ZINC000867648511 583959306 /nfs/dbraw/zinc/95/93/06/583959306.db2.gz CZJYWMHESDLBRK-LLVKDONJSA-N 2 2 282.344 -0.642 20 0 CBADLP CC1(C)CN(C(=O)[C@H](O)c2c[nH+]c[nH]2)CC[N@H+]1CCO ZINC000867648511 583959308 /nfs/dbraw/zinc/95/93/08/583959308.db2.gz CZJYWMHESDLBRK-LLVKDONJSA-N 2 2 282.344 -0.642 20 0 CBADLP C[NH+](C)C[C@]1(O)CCCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)C1 ZINC000867848079 583965046 /nfs/dbraw/zinc/96/50/46/583965046.db2.gz KUOUJGZCQQUJKG-WCQYABFASA-N 2 2 282.344 -0.642 20 0 CBADLP C[N@@H+]1CCN(C(=O)Nc2ccn(CCF)n2)[C@H](C[NH3+])C1 ZINC000868199083 583972509 /nfs/dbraw/zinc/97/25/09/583972509.db2.gz PEGGELDGSWALPZ-SNVBAGLBSA-N 2 2 284.339 -0.041 20 0 CBADLP C[N@H+]1CCN(C(=O)Nc2ccn(CCF)n2)[C@H](C[NH3+])C1 ZINC000868199083 583972511 /nfs/dbraw/zinc/97/25/11/583972511.db2.gz PEGGELDGSWALPZ-SNVBAGLBSA-N 2 2 284.339 -0.041 20 0 CBADLP C[NH2+]CCOCCNC(=O)Nc1cc2n(n1)CC[N@H+](C)C2 ZINC000868205440 583972809 /nfs/dbraw/zinc/97/28/09/583972809.db2.gz LWWPYCHQWLADBM-UHFFFAOYSA-N 2 2 296.375 -0.314 20 0 CBADLP C[NH2+]CCOCCNC(=O)Nc1cc2n(n1)CC[N@@H+](C)C2 ZINC000868205440 583972811 /nfs/dbraw/zinc/97/28/11/583972811.db2.gz LWWPYCHQWLADBM-UHFFFAOYSA-N 2 2 296.375 -0.314 20 0 CBADLP C[C@@H](C[NH+](C)C)NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000868337671 583975103 /nfs/dbraw/zinc/97/51/03/583975103.db2.gz HIIKENLGGPTIHO-RXNFCKPNSA-N 2 2 255.362 -0.059 20 0 CBADLP C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](O)c3c[nH+]c[nH]3)[C@@H]2C1 ZINC000868519562 583980633 /nfs/dbraw/zinc/98/06/33/583980633.db2.gz CKUWRIXNOBKJDT-GDPRMGEGSA-N 2 2 250.302 -0.394 20 0 CBADLP C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](O)c3c[nH+]c[nH]3)[C@@H]2C1 ZINC000868519562 583980634 /nfs/dbraw/zinc/98/06/34/583980634.db2.gz CKUWRIXNOBKJDT-GDPRMGEGSA-N 2 2 250.302 -0.394 20 0 CBADLP C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](O)c3c[nH+]c[nH]3)C2)C1 ZINC000868535274 583980834 /nfs/dbraw/zinc/98/08/34/583980834.db2.gz QXOZJIQHWVHDQG-DGCLKSJQSA-N 2 2 264.329 -0.003 20 0 CBADLP C[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](O)c3c[nH+]c[nH]3)C2)C1 ZINC000868535274 583980836 /nfs/dbraw/zinc/98/08/36/583980836.db2.gz QXOZJIQHWVHDQG-DGCLKSJQSA-N 2 2 264.329 -0.003 20 0 CBADLP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)/C=C/C[NH+]3CCOCC3)C[C@H]21 ZINC000868732472 583985357 /nfs/dbraw/zinc/98/53/57/583985357.db2.gz PVHZTHBHNDMKCN-WZRULLCKSA-N 2 2 279.384 -0.107 20 0 CBADLP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000868896515 583989205 /nfs/dbraw/zinc/98/92/05/583989205.db2.gz NHZTTWQEBXYGMV-CKYFFXLPSA-N 2 2 282.344 -0.643 20 0 CBADLP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000868896515 583989206 /nfs/dbraw/zinc/98/92/06/583989206.db2.gz NHZTTWQEBXYGMV-CKYFFXLPSA-N 2 2 282.344 -0.643 20 0 CBADLP CN(C[C@H]1CCC[N@@H+]1C)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000868926625 583990097 /nfs/dbraw/zinc/99/00/97/583990097.db2.gz BFRHYNYQQUECNA-KOLCDFICSA-N 2 2 252.318 -0.004 20 0 CBADLP CN(C[C@H]1CCC[N@H+]1C)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000868926625 583990099 /nfs/dbraw/zinc/99/00/99/583990099.db2.gz BFRHYNYQQUECNA-KOLCDFICSA-N 2 2 252.318 -0.004 20 0 CBADLP C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H](O)c3c[nH+]c[nH]3)[C@@H]2C1 ZINC000868967909 583991303 /nfs/dbraw/zinc/99/13/03/583991303.db2.gz SJESFEUEUBEWDB-MVWJERBFSA-N 2 2 264.329 -0.004 20 0 CBADLP C[N@H+]1C[C@@H]2CCCN(C(=O)[C@H](O)c3c[nH+]c[nH]3)[C@@H]2C1 ZINC000868967909 583991305 /nfs/dbraw/zinc/99/13/05/583991305.db2.gz SJESFEUEUBEWDB-MVWJERBFSA-N 2 2 264.329 -0.004 20 0 CBADLP CN1CC[N@H+](C)[C@@H](CNC(=O)CCC23CC(C2)C[NH2+]3)C1 ZINC000870885186 584020412 /nfs/dbraw/zinc/02/04/12/584020412.db2.gz DDAXZKWRBQXZQN-OWYJLGKBSA-N 2 2 280.416 -0.119 20 0 CBADLP CN1CC[N@@H+](C)[C@@H](CNC(=O)CCC23CC(C2)C[NH2+]3)C1 ZINC000870885186 584020414 /nfs/dbraw/zinc/02/04/14/584020414.db2.gz DDAXZKWRBQXZQN-OWYJLGKBSA-N 2 2 280.416 -0.119 20 0 CBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870911170 584021167 /nfs/dbraw/zinc/02/11/67/584021167.db2.gz WERCWRLWUYXJTC-HZSPNIEDSA-N 2 2 299.415 -0.345 20 0 CBADLP Cc1ccn(C[C@@H](C)C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])n1 ZINC000870937788 584021961 /nfs/dbraw/zinc/02/19/61/584021961.db2.gz AWLCMOCGBLRZLC-YPMHNXCESA-N 2 2 279.388 -0.071 20 0 CBADLP Cc1ccn(C[C@@H](C)C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])n1 ZINC000870937788 584021964 /nfs/dbraw/zinc/02/19/64/584021964.db2.gz AWLCMOCGBLRZLC-YPMHNXCESA-N 2 2 279.388 -0.071 20 0 CBADLP Cn1c[nH+]cc1CCO[NH+]=C(N)CCS(C)(=O)=O ZINC000871774623 584045737 /nfs/dbraw/zinc/04/57/37/584045737.db2.gz WOCQBJDCLQMNAK-UHFFFAOYSA-N 2 2 274.346 -0.104 20 0 CBADLP O=C(CC[N@@H+]1CCO[C@@H](C(F)F)C1)N1CC[NH2+]CC1 ZINC000872146024 584047889 /nfs/dbraw/zinc/04/78/89/584047889.db2.gz CDYIBPVWEPKEEK-SNVBAGLBSA-N 2 2 277.315 -0.226 20 0 CBADLP O=C(CC[N@H+]1CCO[C@@H](C(F)F)C1)N1CC[NH2+]CC1 ZINC000872146024 584047891 /nfs/dbraw/zinc/04/78/91/584047891.db2.gz CDYIBPVWEPKEEK-SNVBAGLBSA-N 2 2 277.315 -0.226 20 0 CBADLP CS(=O)(=O)NCC[N@@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000872148556 584048258 /nfs/dbraw/zinc/04/82/58/584048258.db2.gz KCWTVEADYTZYLY-SFYZADRCSA-N 2 2 289.323 -0.395 20 0 CBADLP CS(=O)(=O)NCC[N@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000872148556 584048259 /nfs/dbraw/zinc/04/82/59/584048259.db2.gz KCWTVEADYTZYLY-SFYZADRCSA-N 2 2 289.323 -0.395 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC1 ZINC000872185637 584048501 /nfs/dbraw/zinc/04/85/01/584048501.db2.gz OXYIYRHYHALNBW-SWLSCSKDSA-N 2 2 294.399 -0.782 20 0 CBADLP CC1(C)CC[NH2+]CCN1C(=O)CN1CC[NH2+]CC1=O ZINC000872290698 584054559 /nfs/dbraw/zinc/05/45/59/584054559.db2.gz YXMABKCYVMERHT-UHFFFAOYSA-N 2 2 268.361 -0.981 20 0 CBADLP C[C@@H](C[NH3+])Nc1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000872774975 584063180 /nfs/dbraw/zinc/06/31/80/584063180.db2.gz OQLROLCFZQYPDB-VIFPVBQESA-N 2 2 264.333 -0.486 20 0 CBADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@@]12COC(=O)N1CCOC2 ZINC000873252087 584069050 /nfs/dbraw/zinc/06/90/50/584069050.db2.gz YKSRVSZFNGWQND-NQBHXWOUSA-N 2 2 269.345 -0.205 20 0 CBADLP Cn1cc(C[NH2+][C@@]23CCC[C@@H]2[NH2+]CC3)c(=O)n(C)c1=O ZINC000873230187 584069125 /nfs/dbraw/zinc/06/91/25/584069125.db2.gz NGHXTNNYAVSRLT-SMDDNHRTSA-N 2 2 278.356 -0.542 20 0 CBADLP O=C(/C=C/C[NH+]1CCOCC1)NC1CC[NH2+]CC1 ZINC000876502681 584129793 /nfs/dbraw/zinc/12/97/93/584129793.db2.gz JQBQGWXODQJHMM-OWOJBTEDSA-N 2 2 253.346 -0.257 20 0 CBADLP C[NH2+][C@@H]1CCN(C(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000876503926 584129941 /nfs/dbraw/zinc/12/99/41/584129941.db2.gz HNMQIGNWVJRMDR-ZZKXABKFSA-N 2 2 253.346 -0.305 20 0 CBADLP COC[C@@]1(C(=O)Nc2ccc(N)[nH+]c2)C[NH2+]CCO1 ZINC000876523430 584131069 /nfs/dbraw/zinc/13/10/69/584131069.db2.gz WCHXTANGSRHUAU-GFCCVEGCSA-N 2 2 266.301 -0.393 20 0 CBADLP O=C(/C=C\C[NH+]1CCOCC1)NC[C@H]1CCC[NH2+]1 ZINC000876522177 584131126 /nfs/dbraw/zinc/13/11/26/584131126.db2.gz KGVZIXLJCYPBIA-DTRQGZQOSA-N 2 2 253.346 -0.257 20 0 CBADLP C[N@@H+]1CCN(C(=O)Cn2ncc3cccnc32)[C@@H](C[NH3+])C1 ZINC000876542873 584132811 /nfs/dbraw/zinc/13/28/11/584132811.db2.gz YHHQKIQRNAVWOU-LBPRGKRZSA-N 2 2 288.355 -0.467 20 0 CBADLP C[N@H+]1CCN(C(=O)Cn2ncc3cccnc32)[C@@H](C[NH3+])C1 ZINC000876542873 584132813 /nfs/dbraw/zinc/13/28/13/584132813.db2.gz YHHQKIQRNAVWOU-LBPRGKRZSA-N 2 2 288.355 -0.467 20 0 CBADLP CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)NCC[NH+]1CCOCC1 ZINC000876707761 584140565 /nfs/dbraw/zinc/14/05/65/584140565.db2.gz QPOKINUHZPNXQX-MNOVXSKESA-N 2 2 255.362 -0.192 20 0 CBADLP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCC[NH+]1CCOCC1 ZINC000876707510 584140570 /nfs/dbraw/zinc/14/05/70/584140570.db2.gz IRJIQULRQBCBSZ-LLGAQUFESA-N 2 2 267.373 -0.154 20 0 CBADLP CN(C)c1ccc(CNC(=O)[C@@H](N)C[NH+](C)C)c[nH+]1 ZINC000876723033 584141041 /nfs/dbraw/zinc/14/10/41/584141041.db2.gz LDNVNWBDCPYZHA-NSHDSACASA-N 2 2 265.361 -0.347 20 0 CBADLP COC[C@]1(C(=O)NC[C@@H](C)Cn2cc[nH+]c2)C[NH2+]CCO1 ZINC000876731563 584141278 /nfs/dbraw/zinc/14/12/78/584141278.db2.gz SFBJOFNKWQIALN-OCCSQVGLSA-N 2 2 296.371 -0.360 20 0 CBADLP COC[C@]1(C(=O)NC[C@H](C)Cn2cc[nH+]c2)C[NH2+]CCO1 ZINC000876731562 584141341 /nfs/dbraw/zinc/14/13/41/584141341.db2.gz SFBJOFNKWQIALN-JSGCOSHPSA-N 2 2 296.371 -0.360 20 0 CBADLP CC[N@H+](CCNC(=O)[C@@H](C)N1CC[NH2+]CC1=O)C(C)C ZINC000876748326 584142281 /nfs/dbraw/zinc/14/22/81/584142281.db2.gz BGGVBHVTSMHALA-GFCCVEGCSA-N 2 2 284.404 -0.347 20 0 CBADLP CC[N@@H+](CCNC(=O)[C@@H](C)N1CC[NH2+]CC1=O)C(C)C ZINC000876748326 584142284 /nfs/dbraw/zinc/14/22/84/584142284.db2.gz BGGVBHVTSMHALA-GFCCVEGCSA-N 2 2 284.404 -0.347 20 0 CBADLP C[C@@H](NC(=O)[C@@H](N)C[NH+](C)C)[C@H](C)[NH+]1CCOCC1 ZINC000876755217 584142878 /nfs/dbraw/zinc/14/28/78/584142878.db2.gz HYPBVRHSKRSNCZ-WOPDTQHZSA-N 2 2 272.393 -0.899 20 0 CBADLP [NH3+][C@@H](CNC(=O)/C=C/C[NH+]1CCOCC1)C1CC1 ZINC000876791861 584144814 /nfs/dbraw/zinc/14/48/14/584144814.db2.gz PRAAHSKKYYHPNL-ISUDXETCSA-N 2 2 253.346 -0.272 20 0 CBADLP COCC[NH2+]CCNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000876791999 584144836 /nfs/dbraw/zinc/14/48/36/584144836.db2.gz LNAQUYAJUFZSHR-IHWYPQMZSA-N 2 2 271.361 -0.773 20 0 CBADLP C[C@H](C(=O)N1CC[C@]2(C1)CCC[NH2+]C2)N1CC[NH2+]CC1=O ZINC000876843732 584148666 /nfs/dbraw/zinc/14/86/66/584148666.db2.gz UBLGRVVXZZVABF-IUODEOHRSA-N 2 2 294.399 -0.591 20 0 CBADLP O=C(/C=C/C[NH+]1CCOCC1)N1CC[NH2+]C[C@H]1C(F)F ZINC000876852257 584149670 /nfs/dbraw/zinc/14/96/70/584149670.db2.gz BQBFUWBVYCQSNL-GXFZAYBSSA-N 2 2 289.326 -0.060 20 0 CBADLP O=C(/C=C\C[NH+]1CCOCC1)N[C@H]1C[NH2+]CCC1(F)F ZINC000876865866 584151023 /nfs/dbraw/zinc/15/10/23/584151023.db2.gz JCMCSPWUOWGCAR-BVBSBALXSA-N 2 2 289.326 -0.012 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876877551 584152064 /nfs/dbraw/zinc/15/20/64/584152064.db2.gz DHJOIIBMWPJLIN-RYUDHWBXSA-N 2 2 273.352 -0.275 20 0 CBADLP C[C@@H](C(=O)NCCCCCC[NH3+])N1CC[NH2+]CC1=O ZINC000876937965 584156749 /nfs/dbraw/zinc/15/67/49/584156749.db2.gz KILQKAUOUBOSKU-NSHDSACASA-N 2 2 270.377 -0.558 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H](N)C[NH+](C)C)[C@H](C)CO1 ZINC000876961229 584158582 /nfs/dbraw/zinc/15/85/82/584158582.db2.gz SJZDDMBXHJMATK-UTUOFQBUSA-N 2 2 272.393 -0.899 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H](N)C[NH+](C)C)[C@H](C)CO1 ZINC000876961229 584158585 /nfs/dbraw/zinc/15/85/85/584158585.db2.gz SJZDDMBXHJMATK-UTUOFQBUSA-N 2 2 272.393 -0.899 20 0 CBADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)c1c(C[NH3+])cnn1C ZINC000876961205 584158671 /nfs/dbraw/zinc/15/86/71/584158671.db2.gz RVIUGHMFLCKPLF-MNOVXSKESA-N 2 2 295.387 -0.282 20 0 CBADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1c(C[NH3+])cnn1C ZINC000876961205 584158673 /nfs/dbraw/zinc/15/86/73/584158673.db2.gz RVIUGHMFLCKPLF-MNOVXSKESA-N 2 2 295.387 -0.282 20 0 CBADLP [NH3+]C[C@@H]1[C@H](C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C1(F)F ZINC000876966849 584158868 /nfs/dbraw/zinc/15/88/68/584158868.db2.gz XOKHPTGAYPUWLB-HBNTYKKESA-N 2 2 289.326 -0.241 20 0 CBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC000876986687 584159883 /nfs/dbraw/zinc/15/98/83/584159883.db2.gz IYFZWBYQILNKJI-XQQFMLRXSA-N 2 2 299.415 -0.489 20 0 CBADLP COC(=O)C1=CC[C@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000877002300 584161266 /nfs/dbraw/zinc/16/12/66/584161266.db2.gz RKBQNQPELXKACS-QWRGUYRKSA-N 2 2 269.345 -0.357 20 0 CBADLP COC(=O)C1=CC[C@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000877002301 584161279 /nfs/dbraw/zinc/16/12/79/584161279.db2.gz RKBQNQPELXKACS-WDEREUQCSA-N 2 2 269.345 -0.357 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000877035075 584163143 /nfs/dbraw/zinc/16/31/43/584163143.db2.gz SQVTVAAHCXIFLB-VWYCJHECSA-N 2 2 259.325 -0.619 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000877035075 584163145 /nfs/dbraw/zinc/16/31/45/584163145.db2.gz SQVTVAAHCXIFLB-VWYCJHECSA-N 2 2 259.325 -0.619 20 0 CBADLP C[C@@H]1C[C@H]([NH3+])CN1C(=O)/C=C\C[NH+]1CCOCC1 ZINC000877173102 584169092 /nfs/dbraw/zinc/16/90/92/584169092.db2.gz YIMWBJHKRGWTOB-DQOJRVPBSA-N 2 2 253.346 -0.177 20 0 CBADLP C[C@H](C(=O)N1C2CCC1(C[NH3+])CC2)N1CC[NH2+]CC1=O ZINC000877184175 584169683 /nfs/dbraw/zinc/16/96/83/584169683.db2.gz LGSDYLAMBBGHDI-CDWSIMAYSA-N 2 2 280.372 -0.711 20 0 CBADLP C[C@H](C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21)N1CC[NH2+]CC1=O ZINC000877273687 584175171 /nfs/dbraw/zinc/17/51/71/584175171.db2.gz QAKDPYCJNCPXJF-IJLUTSLNSA-N 2 2 280.372 -0.840 20 0 CBADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)C[C@@H](C[NH3+])OC ZINC000877433699 584181092 /nfs/dbraw/zinc/18/10/92/584181092.db2.gz HQJWDVZXDORUEG-NEPJUHHUSA-N 2 2 273.377 -0.423 20 0 CBADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)C[C@@H](C[NH3+])OC ZINC000877433699 584181094 /nfs/dbraw/zinc/18/10/94/584181094.db2.gz HQJWDVZXDORUEG-NEPJUHHUSA-N 2 2 273.377 -0.423 20 0 CBADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000877433447 584181257 /nfs/dbraw/zinc/18/12/57/584181257.db2.gz SDVGDVAHXHXDBS-KBPBESRZSA-N 2 2 299.415 -0.018 20 0 CBADLP CC[C@H]1COCC[N@H+]1CCNC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000877433447 584181258 /nfs/dbraw/zinc/18/12/58/584181258.db2.gz SDVGDVAHXHXDBS-KBPBESRZSA-N 2 2 299.415 -0.018 20 0 CBADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000877433075 584181323 /nfs/dbraw/zinc/18/13/23/584181323.db2.gz ISFPCTUCWYJFMR-WCQYABFASA-N 2 2 273.352 -0.085 20 0 CBADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000877433075 584181324 /nfs/dbraw/zinc/18/13/24/584181324.db2.gz ISFPCTUCWYJFMR-WCQYABFASA-N 2 2 273.352 -0.085 20 0 CBADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]([NH3+])COC(C)C ZINC000877433910 584181586 /nfs/dbraw/zinc/18/15/86/584181586.db2.gz KESSIIBBSGNXCJ-STQMWFEESA-N 2 2 287.404 -0.034 20 0 CBADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]([NH3+])COC(C)C ZINC000877433910 584181587 /nfs/dbraw/zinc/18/15/87/584181587.db2.gz KESSIIBBSGNXCJ-STQMWFEESA-N 2 2 287.404 -0.034 20 0 CBADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)C[C@@H]1COCC[NH2+]1 ZINC000877434811 584182112 /nfs/dbraw/zinc/18/21/12/584182112.db2.gz UXFQCYFTMKOIKD-OLZOCXBDSA-N 2 2 285.388 -0.408 20 0 CBADLP CC[C@H]1COCC[N@H+]1CCNC(=O)C[C@@H]1COCC[NH2+]1 ZINC000877434811 584182114 /nfs/dbraw/zinc/18/21/14/584182114.db2.gz UXFQCYFTMKOIKD-OLZOCXBDSA-N 2 2 285.388 -0.408 20 0 CBADLP C[NH+]1CCC(NC(=O)C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000877982540 584189715 /nfs/dbraw/zinc/18/97/15/584189715.db2.gz WNGKVBFETFKRHD-TXEJJXNPSA-N 3 2 266.389 -0.652 20 0 CBADLP C[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000877982540 584189717 /nfs/dbraw/zinc/18/97/17/584189717.db2.gz WNGKVBFETFKRHD-TXEJJXNPSA-N 3 2 266.389 -0.652 20 0 CBADLP CN(C)C(=O)NCC[N@H+](C)CC(=O)NC1CC[NH+](C)CC1 ZINC000878335996 584200710 /nfs/dbraw/zinc/20/07/10/584200710.db2.gz BEEPKGWRPQIVEX-UHFFFAOYSA-N 2 2 299.419 -0.600 20 0 CBADLP CN(C)C(=O)NCC[N@@H+](C)CC(=O)NC1CC[NH+](C)CC1 ZINC000878335996 584200712 /nfs/dbraw/zinc/20/07/12/584200712.db2.gz BEEPKGWRPQIVEX-UHFFFAOYSA-N 2 2 299.419 -0.600 20 0 CBADLP CCC[N@H+](CC(N)=O)CC(=O)NC1CC[NH+](C)CC1 ZINC000878646648 584211717 /nfs/dbraw/zinc/21/17/17/584211717.db2.gz DRRLHQXMTIMLTR-UHFFFAOYSA-N 2 2 270.377 -0.606 20 0 CBADLP CCC[N@@H+](CC(N)=O)CC(=O)NC1CC[NH+](C)CC1 ZINC000878646648 584211720 /nfs/dbraw/zinc/21/17/20/584211720.db2.gz DRRLHQXMTIMLTR-UHFFFAOYSA-N 2 2 270.377 -0.606 20 0 CBADLP CC(C)[NH2+]C1(CO)CC[NH+](CCn2cnnn2)CC1 ZINC000878667791 584212974 /nfs/dbraw/zinc/21/29/74/584212974.db2.gz AZGSIAMVICXJPJ-UHFFFAOYSA-N 2 2 268.365 -0.502 20 0 CBADLP OC[C@@H]1CC[C@@H](CO)[NH+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000878883773 584219801 /nfs/dbraw/zinc/21/98/01/584219801.db2.gz OJCJGVXSGXDLPN-AVGNSLFASA-N 2 2 258.362 -0.739 20 0 CBADLP C[N@H+](CC[C@@H]1CCOC1=O)CC(=O)N1CC[NH+](C)CC1 ZINC000879353931 584232822 /nfs/dbraw/zinc/23/28/22/584232822.db2.gz ASLYLBOZYDRLMP-GFCCVEGCSA-N 2 2 283.372 -0.355 20 0 CBADLP C[N@@H+](CC[C@@H]1CCOC1=O)CC(=O)N1CC[NH+](C)CC1 ZINC000879353931 584232826 /nfs/dbraw/zinc/23/28/26/584232826.db2.gz ASLYLBOZYDRLMP-GFCCVEGCSA-N 2 2 283.372 -0.355 20 0 CBADLP C[N@H+](CCOC(F)F)CC(=O)N1CC[NH+](C)CC1 ZINC000879355754 584233335 /nfs/dbraw/zinc/23/33/35/584233335.db2.gz MHPRHHLHYBJRAG-UHFFFAOYSA-N 2 2 265.304 -0.069 20 0 CBADLP C[N@@H+](CCOC(F)F)CC(=O)N1CC[NH+](C)CC1 ZINC000879355754 584233336 /nfs/dbraw/zinc/23/33/36/584233336.db2.gz MHPRHHLHYBJRAG-UHFFFAOYSA-N 2 2 265.304 -0.069 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@]2(CC(C(=O)OC)=NO2)C1 ZINC000879490807 584237574 /nfs/dbraw/zinc/23/75/74/584237574.db2.gz XDCDKELDIRFQQT-BXUZGUMPSA-N 2 2 299.371 -0.307 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@]2(CC(C(=O)OC)=NO2)C1 ZINC000879490807 584237577 /nfs/dbraw/zinc/23/75/77/584237577.db2.gz XDCDKELDIRFQQT-BXUZGUMPSA-N 2 2 299.371 -0.307 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@]2(CC(C(=O)OC)=NO2)C1 ZINC000879490807 584237579 /nfs/dbraw/zinc/23/75/79/584237579.db2.gz XDCDKELDIRFQQT-BXUZGUMPSA-N 2 2 299.371 -0.307 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@]2(CC(C(=O)OC)=NO2)C1 ZINC000879490807 584237581 /nfs/dbraw/zinc/23/75/81/584237581.db2.gz XDCDKELDIRFQQT-BXUZGUMPSA-N 2 2 299.371 -0.307 20 0 CBADLP C[N@@H+]1CC[C@@H]2C[NH+](CC(=O)N3CCOCC3)CC[C@@H]21 ZINC000879567357 584240756 /nfs/dbraw/zinc/24/07/56/584240756.db2.gz OXNDPJYQXIBMDD-OLZOCXBDSA-N 2 2 267.373 -0.129 20 0 CBADLP C[N@H+]1CC[C@@H]2C[NH+](CC(=O)N3CCOCC3)CC[C@@H]21 ZINC000879567357 584240758 /nfs/dbraw/zinc/24/07/58/584240758.db2.gz OXNDPJYQXIBMDD-OLZOCXBDSA-N 2 2 267.373 -0.129 20 0 CBADLP C[NH+]1CC[C@@H]2C[N@H+](CC(=O)N3CCOCC3)CC[C@@H]21 ZINC000879567357 584240760 /nfs/dbraw/zinc/24/07/60/584240760.db2.gz OXNDPJYQXIBMDD-OLZOCXBDSA-N 2 2 267.373 -0.129 20 0 CBADLP C[NH+]1CC[C@@H]2C[N@@H+](CC(=O)N3CCOCC3)CC[C@@H]21 ZINC000879567357 584240762 /nfs/dbraw/zinc/24/07/62/584240762.db2.gz OXNDPJYQXIBMDD-OLZOCXBDSA-N 2 2 267.373 -0.129 20 0 CBADLP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879569595 584240811 /nfs/dbraw/zinc/24/08/11/584240811.db2.gz RYECGUYAXREGLF-AXFHLTTASA-N 2 2 268.361 -0.144 20 0 CBADLP CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879569595 584240813 /nfs/dbraw/zinc/24/08/13/584240813.db2.gz RYECGUYAXREGLF-AXFHLTTASA-N 2 2 268.361 -0.144 20 0 CBADLP CNC(=O)NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879569595 584240814 /nfs/dbraw/zinc/24/08/14/584240814.db2.gz RYECGUYAXREGLF-AXFHLTTASA-N 2 2 268.361 -0.144 20 0 CBADLP CNC(=O)NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879569595 584240816 /nfs/dbraw/zinc/24/08/16/584240816.db2.gz RYECGUYAXREGLF-AXFHLTTASA-N 2 2 268.361 -0.144 20 0 CBADLP C[N@@H+]1CC[C@H]2C[NH+](CCN3C(=O)CNC3=O)CC[C@@H]21 ZINC000879571813 584241117 /nfs/dbraw/zinc/24/11/17/584241117.db2.gz CIRFYVZTXLTYOP-QWRGUYRKSA-N 2 2 266.345 -0.436 20 0 CBADLP C[N@H+]1CC[C@H]2C[NH+](CCN3C(=O)CNC3=O)CC[C@@H]21 ZINC000879571813 584241118 /nfs/dbraw/zinc/24/11/18/584241118.db2.gz CIRFYVZTXLTYOP-QWRGUYRKSA-N 2 2 266.345 -0.436 20 0 CBADLP C[NH+]1CC[C@H]2C[N@H+](CCN3C(=O)CNC3=O)CC[C@@H]21 ZINC000879571813 584241119 /nfs/dbraw/zinc/24/11/19/584241119.db2.gz CIRFYVZTXLTYOP-QWRGUYRKSA-N 2 2 266.345 -0.436 20 0 CBADLP C[NH+]1CC[C@H]2C[N@@H+](CCN3C(=O)CNC3=O)CC[C@@H]21 ZINC000879571813 584241120 /nfs/dbraw/zinc/24/11/20/584241120.db2.gz CIRFYVZTXLTYOP-QWRGUYRKSA-N 2 2 266.345 -0.436 20 0 CBADLP Cn1c(C[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)cc(=O)n(C)c1=O ZINC000879571137 584241129 /nfs/dbraw/zinc/24/11/29/584241129.db2.gz ICQKSGLQZCXBOS-DGCLKSJQSA-N 2 2 292.383 -0.390 20 0 CBADLP Cn1c(C[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)cc(=O)n(C)c1=O ZINC000879571137 584241130 /nfs/dbraw/zinc/24/11/30/584241130.db2.gz ICQKSGLQZCXBOS-DGCLKSJQSA-N 2 2 292.383 -0.390 20 0 CBADLP Cn1c(C[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)cc(=O)n(C)c1=O ZINC000879571137 584241132 /nfs/dbraw/zinc/24/11/32/584241132.db2.gz ICQKSGLQZCXBOS-DGCLKSJQSA-N 2 2 292.383 -0.390 20 0 CBADLP Cn1c(C[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)cc(=O)n(C)c1=O ZINC000879571137 584241133 /nfs/dbraw/zinc/24/11/33/584241133.db2.gz ICQKSGLQZCXBOS-DGCLKSJQSA-N 2 2 292.383 -0.390 20 0 CBADLP COC(=O)CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879575456 584241747 /nfs/dbraw/zinc/24/17/47/584241747.db2.gz LLRIGRDLNMZONA-SDDRHHMPSA-N 2 2 283.372 -0.310 20 0 CBADLP COC(=O)CNC(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879575456 584241748 /nfs/dbraw/zinc/24/17/48/584241748.db2.gz LLRIGRDLNMZONA-SDDRHHMPSA-N 2 2 283.372 -0.310 20 0 CBADLP COC(=O)CNC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879575456 584241750 /nfs/dbraw/zinc/24/17/50/584241750.db2.gz LLRIGRDLNMZONA-SDDRHHMPSA-N 2 2 283.372 -0.310 20 0 CBADLP COC(=O)CNC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879575456 584241751 /nfs/dbraw/zinc/24/17/51/584241751.db2.gz LLRIGRDLNMZONA-SDDRHHMPSA-N 2 2 283.372 -0.310 20 0 CBADLP CNS(=O)(=O)CC[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879579926 584241931 /nfs/dbraw/zinc/24/19/31/584241931.db2.gz QJVHNBOXWHJJTN-QWRGUYRKSA-N 2 2 261.391 -0.438 20 0 CBADLP CNS(=O)(=O)CC[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879579926 584241934 /nfs/dbraw/zinc/24/19/34/584241934.db2.gz QJVHNBOXWHJJTN-QWRGUYRKSA-N 2 2 261.391 -0.438 20 0 CBADLP CNS(=O)(=O)CC[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879579926 584241936 /nfs/dbraw/zinc/24/19/36/584241936.db2.gz QJVHNBOXWHJJTN-QWRGUYRKSA-N 2 2 261.391 -0.438 20 0 CBADLP CNS(=O)(=O)CC[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879579926 584241937 /nfs/dbraw/zinc/24/19/37/584241937.db2.gz QJVHNBOXWHJJTN-QWRGUYRKSA-N 2 2 261.391 -0.438 20 0 CBADLP COC(=O)CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879575455 584242090 /nfs/dbraw/zinc/24/20/90/584242090.db2.gz LLRIGRDLNMZONA-QJPTWQEYSA-N 2 2 283.372 -0.310 20 0 CBADLP COC(=O)CNC(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879575455 584242092 /nfs/dbraw/zinc/24/20/92/584242092.db2.gz LLRIGRDLNMZONA-QJPTWQEYSA-N 2 2 283.372 -0.310 20 0 CBADLP COC(=O)CNC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879575455 584242093 /nfs/dbraw/zinc/24/20/93/584242093.db2.gz LLRIGRDLNMZONA-QJPTWQEYSA-N 2 2 283.372 -0.310 20 0 CBADLP COC(=O)CNC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879575455 584242095 /nfs/dbraw/zinc/24/20/95/584242095.db2.gz LLRIGRDLNMZONA-QJPTWQEYSA-N 2 2 283.372 -0.310 20 0 CBADLP O=C1NCCO[C@H]2CCC[N@H+](CCn3cc[nH+]c3)[C@H]12 ZINC000879722015 584247066 /nfs/dbraw/zinc/24/70/66/584247066.db2.gz QKERTFCWXLXCII-RYUDHWBXSA-N 2 2 264.329 -0.138 20 0 CBADLP O=C1NCCO[C@H]2CCC[N@@H+](CCn3cc[nH+]c3)[C@H]12 ZINC000879722015 584247067 /nfs/dbraw/zinc/24/70/67/584247067.db2.gz QKERTFCWXLXCII-RYUDHWBXSA-N 2 2 264.329 -0.138 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(C(=O)NOC)CC1 ZINC000879925607 584254173 /nfs/dbraw/zinc/25/41/73/584254173.db2.gz FKIVETVJKMVJMS-GFCCVEGCSA-N 2 2 273.377 -0.311 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(C(=O)NOC)CC1 ZINC000879925607 584254176 /nfs/dbraw/zinc/25/41/76/584254176.db2.gz FKIVETVJKMVJMS-GFCCVEGCSA-N 2 2 273.377 -0.311 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H](CO)C[NH+]1CCCC1 ZINC000879995304 584258769 /nfs/dbraw/zinc/25/87/69/584258769.db2.gz UPXWJOKQWGUSLF-GFCCVEGCSA-N 2 2 266.345 -0.085 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H](CO)C[NH+]1CCCC1 ZINC000879995304 584258771 /nfs/dbraw/zinc/25/87/71/584258771.db2.gz UPXWJOKQWGUSLF-GFCCVEGCSA-N 2 2 266.345 -0.085 20 0 CBADLP Cn1nnnc1CC[N@@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000880141252 584263964 /nfs/dbraw/zinc/26/39/64/584263964.db2.gz OMONDIWVLAUEBQ-WDEREUQCSA-N 2 2 250.350 -0.079 20 0 CBADLP Cn1nnnc1CC[N@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000880141252 584263966 /nfs/dbraw/zinc/26/39/66/584263966.db2.gz OMONDIWVLAUEBQ-WDEREUQCSA-N 2 2 250.350 -0.079 20 0 CBADLP Cn1nnnc1CC[NH+]1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000880141252 584263967 /nfs/dbraw/zinc/26/39/67/584263967.db2.gz OMONDIWVLAUEBQ-WDEREUQCSA-N 2 2 250.350 -0.079 20 0 CBADLP Cn1nnnc1CC[NH+]1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000880141252 584263968 /nfs/dbraw/zinc/26/39/68/584263968.db2.gz OMONDIWVLAUEBQ-WDEREUQCSA-N 2 2 250.350 -0.079 20 0 CBADLP NC(=O)C1([NH+]2CCCCC2)CC[NH+](CCO)CC1 ZINC000880252911 584267907 /nfs/dbraw/zinc/26/79/07/584267907.db2.gz RKNPLKRGMDWMKQ-UHFFFAOYSA-N 2 2 255.362 -0.216 20 0 CBADLP C[N@H+](C[C@H](O)C[NH+](CC(N)=O)C1CCOCC1)C1CC1 ZINC000880395686 584271144 /nfs/dbraw/zinc/27/11/44/584271144.db2.gz QPGXLFFJEPAPQA-ZDUSSCGKSA-N 2 2 285.388 -0.592 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH+](CC(N)=O)C1CCOCC1)C1CC1 ZINC000880395686 584271146 /nfs/dbraw/zinc/27/11/46/584271146.db2.gz QPGXLFFJEPAPQA-ZDUSSCGKSA-N 2 2 285.388 -0.592 20 0 CBADLP C[NH+](C[C@H](O)C[N@H+](CC(N)=O)C1CCOCC1)C1CC1 ZINC000880395686 584271147 /nfs/dbraw/zinc/27/11/47/584271147.db2.gz QPGXLFFJEPAPQA-ZDUSSCGKSA-N 2 2 285.388 -0.592 20 0 CBADLP C[NH+](C[C@H](O)C[N@@H+](CC(N)=O)C1CCOCC1)C1CC1 ZINC000880395686 584271149 /nfs/dbraw/zinc/27/11/49/584271149.db2.gz QPGXLFFJEPAPQA-ZDUSSCGKSA-N 2 2 285.388 -0.592 20 0 CBADLP O=C1CC[N@H+](CCCn2cc[nH+]c2)C2(COC2)CN1 ZINC000880400026 584271769 /nfs/dbraw/zinc/27/17/69/584271769.db2.gz BQGCXBSKEANHOY-UHFFFAOYSA-N 2 2 264.329 -0.136 20 0 CBADLP O=C1CC[N@@H+](CCCn2cc[nH+]c2)C2(COC2)CN1 ZINC000880400026 584271771 /nfs/dbraw/zinc/27/17/71/584271771.db2.gz BQGCXBSKEANHOY-UHFFFAOYSA-N 2 2 264.329 -0.136 20 0 CBADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC=C[C@@H]2CO)CC1 ZINC000880483338 584275530 /nfs/dbraw/zinc/27/55/30/584275530.db2.gz GHOSHQDRTAFYPA-CYBMUJFWSA-N 2 2 267.373 -0.180 20 0 CBADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CC=C[C@@H]2CO)CC1 ZINC000880483338 584275531 /nfs/dbraw/zinc/27/55/31/584275531.db2.gz GHOSHQDRTAFYPA-CYBMUJFWSA-N 2 2 267.373 -0.180 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]2CCNC(=O)[C@@H]21 ZINC000880524167 584276877 /nfs/dbraw/zinc/27/68/77/584276877.db2.gz QGQDLJYVFOEWOP-HZSPNIEDSA-N 2 2 299.415 -0.474 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]2CCNC(=O)[C@@H]21 ZINC000880524167 584276879 /nfs/dbraw/zinc/27/68/79/584276879.db2.gz QGQDLJYVFOEWOP-HZSPNIEDSA-N 2 2 299.415 -0.474 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]2CCNC(=O)[C@@H]21 ZINC000880524167 584276881 /nfs/dbraw/zinc/27/68/81/584276881.db2.gz QGQDLJYVFOEWOP-HZSPNIEDSA-N 2 2 299.415 -0.474 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]2CCNC(=O)[C@@H]21 ZINC000880524167 584276882 /nfs/dbraw/zinc/27/68/82/584276882.db2.gz QGQDLJYVFOEWOP-HZSPNIEDSA-N 2 2 299.415 -0.474 20 0 CBADLP CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC000882488896 584318848 /nfs/dbraw/zinc/31/88/48/584318848.db2.gz XGMAHASSFCWPGZ-NWDGAFQWSA-N 2 2 255.362 -0.083 20 0 CBADLP CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC000882488896 584318851 /nfs/dbraw/zinc/31/88/51/584318851.db2.gz XGMAHASSFCWPGZ-NWDGAFQWSA-N 2 2 255.362 -0.083 20 0 CBADLP CC[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000882488896 584318852 /nfs/dbraw/zinc/31/88/52/584318852.db2.gz XGMAHASSFCWPGZ-NWDGAFQWSA-N 2 2 255.362 -0.083 20 0 CBADLP CC[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000882488896 584318854 /nfs/dbraw/zinc/31/88/54/584318854.db2.gz XGMAHASSFCWPGZ-NWDGAFQWSA-N 2 2 255.362 -0.083 20 0 CBADLP CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC000882488895 584319086 /nfs/dbraw/zinc/31/90/86/584319086.db2.gz XGMAHASSFCWPGZ-NEPJUHHUSA-N 2 2 255.362 -0.083 20 0 CBADLP CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC000882488895 584319088 /nfs/dbraw/zinc/31/90/88/584319088.db2.gz XGMAHASSFCWPGZ-NEPJUHHUSA-N 2 2 255.362 -0.083 20 0 CBADLP CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000882488895 584319089 /nfs/dbraw/zinc/31/90/89/584319089.db2.gz XGMAHASSFCWPGZ-NEPJUHHUSA-N 2 2 255.362 -0.083 20 0 CBADLP CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000882488895 584319091 /nfs/dbraw/zinc/31/90/91/584319091.db2.gz XGMAHASSFCWPGZ-NEPJUHHUSA-N 2 2 255.362 -0.083 20 0 CBADLP C[C@H]1COCC[C@@H]1[NH2+]CC[N@H+](C)CCOCCO ZINC000883351310 584340595 /nfs/dbraw/zinc/34/05/95/584340595.db2.gz CESZNSNPJTWVHT-STQMWFEESA-N 2 2 260.378 -0.058 20 0 CBADLP C[C@H]1COCC[C@@H]1[NH2+]CC[N@@H+](C)CCOCCO ZINC000883351310 584340597 /nfs/dbraw/zinc/34/05/97/584340597.db2.gz CESZNSNPJTWVHT-STQMWFEESA-N 2 2 260.378 -0.058 20 0 CBADLP Cc1nonc1C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000883438896 584342422 /nfs/dbraw/zinc/34/24/22/584342422.db2.gz FKLOSBIRKQCSHU-JLLWLGSASA-N 2 2 293.327 -0.255 20 0 CBADLP Cc1nonc1C[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000883438896 584342424 /nfs/dbraw/zinc/34/24/24/584342424.db2.gz FKLOSBIRKQCSHU-JLLWLGSASA-N 2 2 293.327 -0.255 20 0 CBADLP Cn1ccn2c(C[NH2+][C@@H]3C[C@H]([NH3+])C3(C)C)nnc2c1=O ZINC000883441027 584342804 /nfs/dbraw/zinc/34/28/04/584342804.db2.gz FYSSWGXASKYWQX-DTWKUNHWSA-N 2 2 276.344 -0.357 20 0 CBADLP COC(=O)CCNC(=O)C[N@@H+]1CC[NH2+]CCC12CCC2 ZINC000883459047 584343348 /nfs/dbraw/zinc/34/33/48/584343348.db2.gz HMQBUWJGOFBVAT-UHFFFAOYSA-N 2 2 283.372 -0.116 20 0 CBADLP COC(=O)CCNC(=O)C[N@H+]1CC[NH2+]CCC12CCC2 ZINC000883459047 584343350 /nfs/dbraw/zinc/34/33/50/584343350.db2.gz HMQBUWJGOFBVAT-UHFFFAOYSA-N 2 2 283.372 -0.116 20 0 CBADLP C[N@@H+]1CCN(C(=O)COCc2ccccn2)[C@@H](C[NH3+])C1 ZINC000884042143 584357288 /nfs/dbraw/zinc/35/72/88/584357288.db2.gz RIOYHISMSKYLGM-ZDUSSCGKSA-N 2 2 278.356 -0.301 20 0 CBADLP C[N@H+]1CCN(C(=O)COCc2ccccn2)[C@@H](C[NH3+])C1 ZINC000884042143 584357292 /nfs/dbraw/zinc/35/72/92/584357292.db2.gz RIOYHISMSKYLGM-ZDUSSCGKSA-N 2 2 278.356 -0.301 20 0 CBADLP C[C@H](C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])c1cncnc1 ZINC000884041983 584357328 /nfs/dbraw/zinc/35/73/28/584357328.db2.gz MTZJJKPIQFYSAC-CMPLNLGQSA-N 2 2 263.345 -0.319 20 0 CBADLP C[C@H](C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1cncnc1 ZINC000884041983 584357330 /nfs/dbraw/zinc/35/73/30/584357330.db2.gz MTZJJKPIQFYSAC-CMPLNLGQSA-N 2 2 263.345 -0.319 20 0 CBADLP COCC[C@H]([NH3+])C(=O)N1CC[NH+](CCOC)CC1 ZINC000884182317 584364315 /nfs/dbraw/zinc/36/43/15/584364315.db2.gz FVLYVRODMOLELX-NSHDSACASA-N 2 2 259.350 -0.859 20 0 CBADLP C[C@H](CNC(=O)c1ncoc1C[NH3+])C[NH+]1CCOCC1 ZINC000884205847 584366736 /nfs/dbraw/zinc/36/67/36/584366736.db2.gz HHOWCRDIQJKQDR-SNVBAGLBSA-N 2 2 282.344 -0.169 20 0 CBADLP COCC[C@H]([NH3+])C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000884206362 584366843 /nfs/dbraw/zinc/36/68/43/584366843.db2.gz SNIKFIHXDXKPKL-NSHDSACASA-N 2 2 273.377 -0.423 20 0 CBADLP COCC[C@H]([NH3+])C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000884206362 584366844 /nfs/dbraw/zinc/36/68/44/584366844.db2.gz SNIKFIHXDXKPKL-NSHDSACASA-N 2 2 273.377 -0.423 20 0 CBADLP COCC[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000884206267 584366878 /nfs/dbraw/zinc/36/68/78/584366878.db2.gz QMAZZKRBIJKLBF-GHMZBOCLSA-N 2 2 259.350 -0.813 20 0 CBADLP COCC[C@@H]([NH3+])C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000884206267 584366879 /nfs/dbraw/zinc/36/68/79/584366879.db2.gz QMAZZKRBIJKLBF-GHMZBOCLSA-N 2 2 259.350 -0.813 20 0 CBADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@H]([NH3+])CC2CC2)CC1 ZINC000884228262 584368803 /nfs/dbraw/zinc/36/88/03/584368803.db2.gz MEJWUDTYFMAXGU-LLVKDONJSA-N 2 2 282.388 -0.478 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)[C@@H]([NH3+])CC1CC1 ZINC000884309003 584373415 /nfs/dbraw/zinc/37/34/15/584373415.db2.gz JFHCTIHBGHQERW-LBPRGKRZSA-N 2 2 255.362 -0.096 20 0 CBADLP COCCOCC[NH+]1CCN(C(=O)[C@H]([NH3+])CC2CC2)CC1 ZINC000884388593 584378292 /nfs/dbraw/zinc/37/82/92/584378292.db2.gz ACIQWBHNRQPHKH-CQSZACIVSA-N 2 2 299.415 -0.079 20 0 CBADLP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000884651643 584392997 /nfs/dbraw/zinc/39/29/97/584392997.db2.gz VDTSJGAGYHHSIX-GHMZBOCLSA-N 2 2 279.344 -0.663 20 0 CBADLP CN1CCN(C(=O)C(=O)NCCC[NH3+])Cc2ccc[nH+]c21 ZINC000884673304 584394170 /nfs/dbraw/zinc/39/41/70/584394170.db2.gz STTQYANJCQENJM-UHFFFAOYSA-N 2 2 291.355 -0.675 20 0 CBADLP C[C@H]([NH3+])CNC(=O)C(=O)N1CCN(C)c2[nH+]cccc2C1 ZINC000884684918 584395975 /nfs/dbraw/zinc/39/59/75/584395975.db2.gz SQSWLKCPWJMBGD-JTQLQIEISA-N 2 2 291.355 -0.677 20 0 CBADLP Cc1cc(CNC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)cc(C)[nH+]1 ZINC000884726754 584401081 /nfs/dbraw/zinc/40/10/81/584401081.db2.gz BHINWEXSWJTVQE-STQMWFEESA-N 2 2 288.351 -0.113 20 0 CBADLP C[C@H](O)CNc1cc(NCC[N@H+](C)CCO)nc[nH+]1 ZINC000884824792 584404380 /nfs/dbraw/zinc/40/43/80/584404380.db2.gz NVMOYGJYFLWLSI-JTQLQIEISA-N 2 2 269.349 -0.395 20 0 CBADLP C[C@H](O)CNc1cc(NCC[N@@H+](C)CCO)nc[nH+]1 ZINC000884824792 584404382 /nfs/dbraw/zinc/40/43/82/584404382.db2.gz NVMOYGJYFLWLSI-JTQLQIEISA-N 2 2 269.349 -0.395 20 0 CBADLP O=C(C[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1)N1CCNC(=O)C1 ZINC000886868164 584450150 /nfs/dbraw/zinc/45/01/50/584450150.db2.gz WXKASLMVTSGVGS-HNNXBMFYSA-N 2 2 294.399 -0.590 20 0 CBADLP O=C(C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1)N1CCNC(=O)C1 ZINC000886868164 584450152 /nfs/dbraw/zinc/45/01/52/584450152.db2.gz WXKASLMVTSGVGS-HNNXBMFYSA-N 2 2 294.399 -0.590 20 0 CBADLP CCN(C(=O)C(=O)N1CC[NH+](CC)CC1)[C@H]1CC[NH2+]C1 ZINC000887066883 584460904 /nfs/dbraw/zinc/46/09/04/584460904.db2.gz WDVFBAHBKSRACA-LBPRGKRZSA-N 2 2 282.388 -0.639 20 0 CBADLP CN1CN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC1=O ZINC000888683449 584503142 /nfs/dbraw/zinc/50/31/42/584503142.db2.gz JAAVEZKXCMGLGB-UHFFFAOYSA-N 2 2 297.403 -0.547 20 0 CBADLP CN1CCN(C(=O)C[NH+]2CCCC2)CC[N@H+](C)CC1 ZINC000888989091 584512020 /nfs/dbraw/zinc/51/20/20/584512020.db2.gz ZOTBRKTWAYPFCK-UHFFFAOYSA-N 2 2 268.405 -0.212 20 0 CBADLP CN1CCN(C(=O)C[NH+]2CCCC2)CC[N@@H+](C)CC1 ZINC000888989091 584512021 /nfs/dbraw/zinc/51/20/21/584512021.db2.gz ZOTBRKTWAYPFCK-UHFFFAOYSA-N 2 2 268.405 -0.212 20 0 CBADLP CN1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC[N@H+](C)CC1 ZINC000888991079 584512200 /nfs/dbraw/zinc/51/22/00/584512200.db2.gz OMWBCRSMDMAGAP-ZDUSSCGKSA-N 2 2 284.404 -0.977 20 0 CBADLP CN1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC[N@@H+](C)CC1 ZINC000888991079 584512202 /nfs/dbraw/zinc/51/22/02/584512202.db2.gz OMWBCRSMDMAGAP-ZDUSSCGKSA-N 2 2 284.404 -0.977 20 0 CBADLP CN1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC[NH+](C)CC1 ZINC000888991079 584512204 /nfs/dbraw/zinc/51/22/04/584512204.db2.gz OMWBCRSMDMAGAP-ZDUSSCGKSA-N 2 2 284.404 -0.977 20 0 CBADLP CN1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC[NH+](C)CC1 ZINC000888991079 584512205 /nfs/dbraw/zinc/51/22/05/584512205.db2.gz OMWBCRSMDMAGAP-ZDUSSCGKSA-N 2 2 284.404 -0.977 20 0 CBADLP Cn1c[nH+]c(CNC(=O)C2C[NH+]([C@H]3CCOC3)C2)c1 ZINC000890103627 584543455 /nfs/dbraw/zinc/54/34/55/584543455.db2.gz NPGBDCQGJQAJKF-LBPRGKRZSA-N 2 2 264.329 -0.243 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000891350102 584579518 /nfs/dbraw/zinc/57/95/18/584579518.db2.gz LVMNWQVGPIYTMX-GRYCIOLGSA-N 2 2 270.377 -0.162 20 0 CBADLP C[C@H]1CC[N@H+](CCNC(=O)NCC[NH+]2CCOCC2)C1 ZINC000891449625 584581799 /nfs/dbraw/zinc/58/17/99/584581799.db2.gz ZQQYURBSFZQBNI-ZDUSSCGKSA-N 2 2 284.404 -0.040 20 0 CBADLP C[C@H]1CC[N@@H+](CCNC(=O)NCC[NH+]2CCOCC2)C1 ZINC000891449625 584581801 /nfs/dbraw/zinc/58/18/01/584581801.db2.gz ZQQYURBSFZQBNI-ZDUSSCGKSA-N 2 2 284.404 -0.040 20 0 CBADLP C[C@@H](NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)[C@@H](C)[NH+]1CCOCC1 ZINC000891518578 584583938 /nfs/dbraw/zinc/58/39/38/584583938.db2.gz RJMDUGJPLWZHMV-NDBYEHHHSA-N 2 2 282.388 -0.149 20 0 CBADLP CN1CCN(C(=O)NCCn2cc[nH+]c2)CC[N@@H+](C)CC1 ZINC000891555999 584585709 /nfs/dbraw/zinc/58/57/09/584585709.db2.gz TUGQWUXITVXOHF-UHFFFAOYSA-N 2 2 294.403 -0.228 20 0 CBADLP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000891858173 584593231 /nfs/dbraw/zinc/59/32/31/584593231.db2.gz LJLGOEKOUURSCA-NEPJUHHUSA-N 2 2 282.388 -0.018 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000891895500 584593745 /nfs/dbraw/zinc/59/37/45/584593745.db2.gz KWWJIRZYHQMHQW-MCIONIFRSA-N 2 2 296.415 -0.090 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000891895500 584593747 /nfs/dbraw/zinc/59/37/47/584593747.db2.gz KWWJIRZYHQMHQW-MCIONIFRSA-N 2 2 296.415 -0.090 20 0 CBADLP [NH3+]CCNC(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000891976959 584596875 /nfs/dbraw/zinc/59/68/75/584596875.db2.gz RNVMDJCNXUOQGL-UHFFFAOYSA-N 2 2 278.360 -0.695 20 0 CBADLP C[C@H](C[NH3+])NC(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000892061411 584602444 /nfs/dbraw/zinc/60/24/44/584602444.db2.gz HTEHUZMFUHHVSS-GFCCVEGCSA-N 2 2 292.387 -0.307 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000892287175 584612438 /nfs/dbraw/zinc/61/24/38/584612438.db2.gz IGYIFDABXMTPFJ-YNEHKIRRSA-N 2 2 282.388 -0.147 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000892287175 584612441 /nfs/dbraw/zinc/61/24/41/584612441.db2.gz IGYIFDABXMTPFJ-YNEHKIRRSA-N 2 2 282.388 -0.147 20 0 CBADLP Cc1cc(N)nc(N2CC[NH+](CC[S@](C)=O)CC2)[nH+]1 ZINC000892654863 584622027 /nfs/dbraw/zinc/62/20/27/584622027.db2.gz MUAUFHOUESTFLE-IBGZPJMESA-N 2 2 283.401 -0.132 20 0 CBADLP C[N@@H+]1CCN(C(=O)NCCc2ccns2)[C@H](C[NH3+])C1 ZINC000892824254 584626503 /nfs/dbraw/zinc/62/65/03/584626503.db2.gz XXJDRKFEFYDDQC-SNVBAGLBSA-N 2 2 283.401 -0.030 20 0 CBADLP C[N@H+]1CCN(C(=O)NCCc2ccns2)[C@H](C[NH3+])C1 ZINC000892824254 584626505 /nfs/dbraw/zinc/62/65/05/584626505.db2.gz XXJDRKFEFYDDQC-SNVBAGLBSA-N 2 2 283.401 -0.030 20 0 CBADLP C[N@@H+]1CCN(c2cc(-n3cc[nH+]c3)ncn2)C[C@H]1CO ZINC000894886972 584666917 /nfs/dbraw/zinc/66/69/17/584666917.db2.gz YEDPFGXBJOUJEX-NSHDSACASA-N 2 2 274.328 -0.225 20 0 CBADLP C[N@H+]1CCN(c2cc(-n3cc[nH+]c3)ncn2)C[C@H]1CO ZINC000894886972 584666919 /nfs/dbraw/zinc/66/69/19/584666919.db2.gz YEDPFGXBJOUJEX-NSHDSACASA-N 2 2 274.328 -0.225 20 0 CBADLP COC(=O)[C@@H]1[C@@H](C[NH2+]CC[N@@H+]2CC[C@H](O)C2)C1(F)F ZINC000895416228 584678543 /nfs/dbraw/zinc/67/85/43/584678543.db2.gz SMAXSTBKDPDVPI-AEJSXWLSSA-N 2 2 278.299 -0.303 20 0 CBADLP COC(=O)[C@@H]1[C@@H](C[NH2+]CC[N@H+]2CC[C@H](O)C2)C1(F)F ZINC000895416228 584678544 /nfs/dbraw/zinc/67/85/44/584678544.db2.gz SMAXSTBKDPDVPI-AEJSXWLSSA-N 2 2 278.299 -0.303 20 0 CBADLP CC[NH+]1CCN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)CC1 ZINC000895433053 584679043 /nfs/dbraw/zinc/67/90/43/584679043.db2.gz SHIHKMXMROAWGL-ZDUSSCGKSA-N 2 2 267.373 -0.129 20 0 CBADLP CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000895586320 584682090 /nfs/dbraw/zinc/68/20/90/584682090.db2.gz SEJKLULRTNFRGY-GFCCVEGCSA-N 2 2 269.389 -0.004 20 0 CBADLP Cc1[nH+]cc(C[N@@H+]2CC[C@@H](CS(N)(=O)=O)C2)n1C ZINC000897054017 584707916 /nfs/dbraw/zinc/70/79/16/584707916.db2.gz UNYNOHDQWOZVEW-SNVBAGLBSA-N 2 2 272.374 -0.161 20 0 CBADLP Cc1[nH+]cc(C[N@H+]2CC[C@@H](CS(N)(=O)=O)C2)n1C ZINC000897054017 584707918 /nfs/dbraw/zinc/70/79/18/584707918.db2.gz UNYNOHDQWOZVEW-SNVBAGLBSA-N 2 2 272.374 -0.161 20 0 CBADLP CC(C)(C)[N@@H+]1CC[C@H]1C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000897146454 584709104 /nfs/dbraw/zinc/70/91/04/584709104.db2.gz SWPUELPKVFFIDF-STQMWFEESA-N 2 2 280.416 -0.025 20 0 CBADLP CC(C)(C)[N@H+]1CC[C@H]1C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000897146454 584709105 /nfs/dbraw/zinc/70/91/05/584709105.db2.gz SWPUELPKVFFIDF-STQMWFEESA-N 2 2 280.416 -0.025 20 0 CBADLP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000897490181 584717866 /nfs/dbraw/zinc/71/78/66/584717866.db2.gz WECYTOBXMNWARH-VXGBXAGGSA-N 2 2 293.371 -0.402 20 0 CBADLP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000897490181 584717868 /nfs/dbraw/zinc/71/78/68/584717868.db2.gz WECYTOBXMNWARH-VXGBXAGGSA-N 2 2 293.371 -0.402 20 0 CBADLP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NCc1[nH+]ccn1C ZINC000897659937 584722140 /nfs/dbraw/zinc/72/21/40/584722140.db2.gz QWAXADQQGBOVDJ-SNVBAGLBSA-N 2 2 279.344 -0.753 20 0 CBADLP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)NCc1[nH+]ccn1C ZINC000897659937 584722142 /nfs/dbraw/zinc/72/21/42/584722142.db2.gz QWAXADQQGBOVDJ-SNVBAGLBSA-N 2 2 279.344 -0.753 20 0 CBADLP CC[NH+]1CCN(C(=O)CNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000897834797 584725685 /nfs/dbraw/zinc/72/56/85/584725685.db2.gz MJOJMXKHDWIUJM-GFCCVEGCSA-N 2 2 282.388 -0.639 20 0 CBADLP CC[NH+]1CCN(C(=O)CNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000897834797 584725691 /nfs/dbraw/zinc/72/56/91/584725691.db2.gz MJOJMXKHDWIUJM-GFCCVEGCSA-N 2 2 282.388 -0.639 20 0 CBADLP Cn1c[nH+]c(CCNC(=O)C2C[NH+]([C@@H]3CCOC3)C2)c1 ZINC000897953558 584728321 /nfs/dbraw/zinc/72/83/21/584728321.db2.gz WYNIVORJEVCFPE-CYBMUJFWSA-N 2 2 278.356 -0.201 20 0 CBADLP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NCCc1cn(C)c[nH+]1 ZINC000898061798 584730034 /nfs/dbraw/zinc/73/00/34/584730034.db2.gz IYFJOICVDUGAEH-GFCCVEGCSA-N 2 2 293.371 -0.711 20 0 CBADLP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)NCCc1cn(C)c[nH+]1 ZINC000898061798 584730035 /nfs/dbraw/zinc/73/00/35/584730035.db2.gz IYFJOICVDUGAEH-GFCCVEGCSA-N 2 2 293.371 -0.711 20 0 CBADLP COC[C@@H]1C[NH2+]CCN1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000899248363 584754683 /nfs/dbraw/zinc/75/46/83/584754683.db2.gz OCYPKFZNXWYLJE-NEPJUHHUSA-N 2 2 281.360 -0.099 20 0 CBADLP O=C(NCC[NH+]1CCOCC1)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC000899247729 584754686 /nfs/dbraw/zinc/75/46/86/584754686.db2.gz QWXGTBCJTXRFAV-JSGCOSHPSA-N 2 2 282.388 -0.240 20 0 CBADLP COCCN1C(=O)C[C@@H]([N@@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)C1=O ZINC000899253602 584754915 /nfs/dbraw/zinc/75/49/15/584754915.db2.gz LZGVEPITSPZCTF-YWPYICTPSA-N 2 2 295.383 -0.356 20 0 CBADLP COCCN1C(=O)C[C@@H]([N@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)C1=O ZINC000899253602 584754917 /nfs/dbraw/zinc/75/49/17/584754917.db2.gz LZGVEPITSPZCTF-YWPYICTPSA-N 2 2 295.383 -0.356 20 0 CBADLP COCCN1C(=O)C[C@@H]([NH+]2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)C1=O ZINC000899253602 584754919 /nfs/dbraw/zinc/75/49/19/584754919.db2.gz LZGVEPITSPZCTF-YWPYICTPSA-N 2 2 295.383 -0.356 20 0 CBADLP COCCN1C(=O)C[C@@H]([NH+]2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)C1=O ZINC000899253602 584754921 /nfs/dbraw/zinc/75/49/21/584754921.db2.gz LZGVEPITSPZCTF-YWPYICTPSA-N 2 2 295.383 -0.356 20 0 CBADLP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCCCn1cc[nH+]c1 ZINC000899920534 584784851 /nfs/dbraw/zinc/78/48/51/584784851.db2.gz JSHGSBWSHBKYRW-YPMHNXCESA-N 2 2 266.345 -0.156 20 0 CBADLP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCCCn1cc[nH+]c1 ZINC000899920534 584784853 /nfs/dbraw/zinc/78/48/53/584784853.db2.gz JSHGSBWSHBKYRW-YPMHNXCESA-N 2 2 266.345 -0.156 20 0 CBADLP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000899957731 584786807 /nfs/dbraw/zinc/78/68/07/584786807.db2.gz BEZALSAZPVGLPV-DOMZBBRYSA-N 2 2 299.415 -0.332 20 0 CBADLP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000899957731 584786809 /nfs/dbraw/zinc/78/68/09/584786809.db2.gz BEZALSAZPVGLPV-DOMZBBRYSA-N 2 2 299.415 -0.332 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000900214173 584795540 /nfs/dbraw/zinc/79/55/40/584795540.db2.gz BDWCLQAIGNYTHP-WZRBSPASSA-N 2 2 266.345 -0.157 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC000900214173 584795541 /nfs/dbraw/zinc/79/55/41/584795541.db2.gz BDWCLQAIGNYTHP-WZRBSPASSA-N 2 2 266.345 -0.157 20 0 CBADLP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000900484283 584806924 /nfs/dbraw/zinc/80/69/24/584806924.db2.gz OTJJWINWOHTPBO-SWLSCSKDSA-N 2 2 299.415 -0.332 20 0 CBADLP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000900484283 584806925 /nfs/dbraw/zinc/80/69/25/584806925.db2.gz OTJJWINWOHTPBO-SWLSCSKDSA-N 2 2 299.415 -0.332 20 0 CBADLP C[NH+]1C[C@@H](O)C[C@]1(C)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000900484283 584806927 /nfs/dbraw/zinc/80/69/27/584806927.db2.gz OTJJWINWOHTPBO-SWLSCSKDSA-N 2 2 299.415 -0.332 20 0 CBADLP C[NH+]1C[C@@H](O)C[C@]1(C)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000900484283 584806928 /nfs/dbraw/zinc/80/69/28/584806928.db2.gz OTJJWINWOHTPBO-SWLSCSKDSA-N 2 2 299.415 -0.332 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000900519036 584809734 /nfs/dbraw/zinc/80/97/34/584809734.db2.gz SSGAFWHUYPLYFP-GXTWGEPZSA-N 2 2 285.388 -0.768 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC000900519036 584809735 /nfs/dbraw/zinc/80/97/35/584809735.db2.gz SSGAFWHUYPLYFP-GXTWGEPZSA-N 2 2 285.388 -0.768 20 0 CBADLP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCC[NH+]1CCOCC1(C)C ZINC000900555603 584811509 /nfs/dbraw/zinc/81/15/09/584811509.db2.gz CLLLOACDNVRKEJ-SWLSCSKDSA-N 2 2 299.415 -0.332 20 0 CBADLP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCC[NH+]1CCOCC1(C)C ZINC000900555603 584811511 /nfs/dbraw/zinc/81/15/11/584811511.db2.gz CLLLOACDNVRKEJ-SWLSCSKDSA-N 2 2 299.415 -0.332 20 0 CBADLP C[NH+]1C[C@@H](O)C[C@]1(C)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000900555603 584811512 /nfs/dbraw/zinc/81/15/12/584811512.db2.gz CLLLOACDNVRKEJ-SWLSCSKDSA-N 2 2 299.415 -0.332 20 0 CBADLP C[NH+]1C[C@@H](O)C[C@]1(C)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000900555603 584811513 /nfs/dbraw/zinc/81/15/13/584811513.db2.gz CLLLOACDNVRKEJ-SWLSCSKDSA-N 2 2 299.415 -0.332 20 0 CBADLP CCC[NH+]1CCN(C(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)CC1 ZINC000900555946 584811560 /nfs/dbraw/zinc/81/15/60/584811560.db2.gz MYANFDGPAHBSKX-OCCSQVGLSA-N 2 2 269.389 -0.004 20 0 CBADLP CCC[NH+]1CCN(C(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)CC1 ZINC000900555946 584811562 /nfs/dbraw/zinc/81/15/62/584811562.db2.gz MYANFDGPAHBSKX-OCCSQVGLSA-N 2 2 269.389 -0.004 20 0 CBADLP COCCN(CC[NH+](C)C)C(=O)Cc1c[nH+]c[nH]1 ZINC000900586323 584813876 /nfs/dbraw/zinc/81/38/76/584813876.db2.gz DPIHGTFMANPKRM-UHFFFAOYSA-N 2 2 254.334 -0.011 20 0 CBADLP CN(C)c1[nH+]cc(CNC(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)n1C ZINC000900679840 584820873 /nfs/dbraw/zinc/82/08/73/584820873.db2.gz AANVJRWPTQUVFH-RISCZKNCSA-N 2 2 295.387 -0.443 20 0 CBADLP CN(C)c1[nH+]cc(CNC(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)n1C ZINC000900679840 584820875 /nfs/dbraw/zinc/82/08/75/584820875.db2.gz AANVJRWPTQUVFH-RISCZKNCSA-N 2 2 295.387 -0.443 20 0 CBADLP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)[C@H]1CN(C)CC[N@@H+]1C ZINC000900802286 584827602 /nfs/dbraw/zinc/82/76/02/584827602.db2.gz DOAILMUNZBDGRF-CHWSQXEVSA-N 2 2 280.416 -0.167 20 0 CBADLP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)[C@H]1CN(C)CC[N@H+]1C ZINC000900802286 584827604 /nfs/dbraw/zinc/82/76/04/584827604.db2.gz DOAILMUNZBDGRF-CHWSQXEVSA-N 2 2 280.416 -0.167 20 0 CBADLP O=C(N(CCO)CC[NH+]1CCOCC1)C12CC[NH+](CC1)C2 ZINC000901144677 584852102 /nfs/dbraw/zinc/85/21/02/584852102.db2.gz ZJTRIYXJHFUCRA-UHFFFAOYSA-N 2 2 297.399 -0.765 20 0 CBADLP CC[N@@H+]1CCN(C(=O)[C@]2(C)C[C@@H](O)C[NH+]2C)C[C@@H]1C ZINC000901200863 584854946 /nfs/dbraw/zinc/85/49/46/584854946.db2.gz QUNJYZKEHIEVIF-SCRDCRAPSA-N 2 2 269.389 -0.006 20 0 CBADLP CC[N@H+]1CCN(C(=O)[C@]2(C)C[C@@H](O)C[NH+]2C)C[C@@H]1C ZINC000901200863 584854947 /nfs/dbraw/zinc/85/49/47/584854947.db2.gz QUNJYZKEHIEVIF-SCRDCRAPSA-N 2 2 269.389 -0.006 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)C[C@@H]1C ZINC000901200863 584854949 /nfs/dbraw/zinc/85/49/49/584854949.db2.gz QUNJYZKEHIEVIF-SCRDCRAPSA-N 2 2 269.389 -0.006 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)C[C@@H]1C ZINC000901200863 584854952 /nfs/dbraw/zinc/85/49/52/584854952.db2.gz QUNJYZKEHIEVIF-SCRDCRAPSA-N 2 2 269.389 -0.006 20 0 CBADLP CC(C)(CO)[NH+]1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000901229942 584856477 /nfs/dbraw/zinc/85/64/77/584856477.db2.gz XGJFYOVHVGMQLG-UHFFFAOYSA-N 2 2 266.345 -0.133 20 0 CBADLP C[C@@H]1CN(C(=O)[C@]2(C)C[C@H](O)C[NH+]2C)[C@@H](C)C[N@@H+]1C ZINC000901288625 584858804 /nfs/dbraw/zinc/85/88/04/584858804.db2.gz WOLZUVLNEQUQJS-UHXUPSOCSA-N 2 2 269.389 -0.008 20 0 CBADLP C[C@@H]1CN(C(=O)[C@]2(C)C[C@H](O)C[NH+]2C)[C@@H](C)C[N@H+]1C ZINC000901288625 584858805 /nfs/dbraw/zinc/85/88/05/584858805.db2.gz WOLZUVLNEQUQJS-UHXUPSOCSA-N 2 2 269.389 -0.008 20 0 CBADLP C[C@@H]1CN(C(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)[C@@H](C)C[NH+]1C ZINC000901288625 584858806 /nfs/dbraw/zinc/85/88/06/584858806.db2.gz WOLZUVLNEQUQJS-UHXUPSOCSA-N 2 2 269.389 -0.008 20 0 CBADLP C[C@@H]1CN(C(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)[C@@H](C)C[NH+]1C ZINC000901288625 584858807 /nfs/dbraw/zinc/85/88/07/584858807.db2.gz WOLZUVLNEQUQJS-UHXUPSOCSA-N 2 2 269.389 -0.008 20 0 CBADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCS(=O)(=O)N1CCCC1 ZINC000902450284 584877043 /nfs/dbraw/zinc/87/70/43/584877043.db2.gz CCSVIUCBXVXYAV-VXGBXAGGSA-N 2 2 275.418 0.000 20 0 CBADLP Cn1nnnc1CCC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000902462652 584877424 /nfs/dbraw/zinc/87/74/24/584877424.db2.gz WWYBCSZOURREJD-YPMHNXCESA-N 2 2 280.376 -0.501 20 0 CBADLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)CC(=O)N1CCOCC1 ZINC000903431030 584890260 /nfs/dbraw/zinc/89/02/60/584890260.db2.gz DJAOIDCZMLGUFL-NEPJUHHUSA-N 2 2 255.362 -0.368 20 0 CBADLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)CC(=O)N1CCOCC1 ZINC000903431030 584890261 /nfs/dbraw/zinc/89/02/61/584890261.db2.gz DJAOIDCZMLGUFL-NEPJUHHUSA-N 2 2 255.362 -0.368 20 0 CBADLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000903439561 584890268 /nfs/dbraw/zinc/89/02/68/584890268.db2.gz KNTSLJMGKCETNI-PWSUYJOCSA-N 2 2 262.357 -0.006 20 0 CBADLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000903439561 584890269 /nfs/dbraw/zinc/89/02/69/584890269.db2.gz KNTSLJMGKCETNI-PWSUYJOCSA-N 2 2 262.357 -0.006 20 0 CBADLP COC[C@@H](C)NC(=O)NC(=O)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903466560 584890914 /nfs/dbraw/zinc/89/09/14/584890914.db2.gz VXZRWTDUNGIWBH-MNOVXSKESA-N 2 2 298.387 -0.279 20 0 CBADLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@H]2OCCNC(=O)[C@H]21 ZINC000903476251 584891091 /nfs/dbraw/zinc/89/10/91/584891091.db2.gz RWLOOXWLUHWYJZ-XQHKEYJVSA-N 2 2 267.373 -0.179 20 0 CBADLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@H]2OCCNC(=O)[C@H]21 ZINC000903476251 584891092 /nfs/dbraw/zinc/89/10/92/584891092.db2.gz RWLOOXWLUHWYJZ-XQHKEYJVSA-N 2 2 267.373 -0.179 20 0 CBADLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@@H]2OCCNC(=O)[C@@H]21 ZINC000903476249 584891117 /nfs/dbraw/zinc/89/11/17/584891117.db2.gz RWLOOXWLUHWYJZ-MROQNXINSA-N 2 2 267.373 -0.179 20 0 CBADLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@@H]2OCCNC(=O)[C@@H]21 ZINC000903476249 584891118 /nfs/dbraw/zinc/89/11/18/584891118.db2.gz RWLOOXWLUHWYJZ-MROQNXINSA-N 2 2 267.373 -0.179 20 0 CBADLP C[C@@H]1OCC[C@@H]1S(=O)(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000903565400 584893434 /nfs/dbraw/zinc/89/34/34/584893434.db2.gz JIFOIVQLUFYTIC-JQWIXIFHSA-N 2 2 291.417 -0.494 20 0 CBADLP COCCCCS(=O)(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000903566075 584893464 /nfs/dbraw/zinc/89/34/64/584893464.db2.gz ZBEZIDZBHGOHBG-UHFFFAOYSA-N 2 2 293.433 -0.245 20 0 CBADLP C[N@H+](CCS(C)(=O)=O)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903725368 584895942 /nfs/dbraw/zinc/89/59/42/584895942.db2.gz ZAEMDGMIAHEEGT-NWDGAFQWSA-N 2 2 276.402 -0.269 20 0 CBADLP C[N@@H+](CCS(C)(=O)=O)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903725368 584895944 /nfs/dbraw/zinc/89/59/44/584895944.db2.gz ZAEMDGMIAHEEGT-NWDGAFQWSA-N 2 2 276.402 -0.269 20 0 CBADLP C[N@H+](CCS(C)(=O)=O)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903725369 584895973 /nfs/dbraw/zinc/89/59/73/584895973.db2.gz ZAEMDGMIAHEEGT-RYUDHWBXSA-N 2 2 276.402 -0.269 20 0 CBADLP C[N@@H+](CCS(C)(=O)=O)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903725369 584895974 /nfs/dbraw/zinc/89/59/74/584895974.db2.gz ZAEMDGMIAHEEGT-RYUDHWBXSA-N 2 2 276.402 -0.269 20 0 CBADLP CN1CC[N@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1=O ZINC000903728904 584896200 /nfs/dbraw/zinc/89/62/00/584896200.db2.gz HBSMCTCDHGBZKK-DGCLKSJQSA-N 2 2 253.346 -0.471 20 0 CBADLP CN1CC[N@@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1=O ZINC000903728904 584896201 /nfs/dbraw/zinc/89/62/01/584896201.db2.gz HBSMCTCDHGBZKK-DGCLKSJQSA-N 2 2 253.346 -0.471 20 0 CBADLP CC[C@@H]1C(=O)NCC[N@H+]1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903730787 584896211 /nfs/dbraw/zinc/89/62/11/584896211.db2.gz ZHMAOPMYUCKZHP-BZPMIXESSA-N 2 2 267.373 -0.035 20 0 CBADLP CC[C@@H]1C(=O)NCC[N@@H+]1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903730787 584896212 /nfs/dbraw/zinc/89/62/12/584896212.db2.gz ZHMAOPMYUCKZHP-BZPMIXESSA-N 2 2 267.373 -0.035 20 0 CBADLP CN1CC[N@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1=O ZINC000903728903 584896220 /nfs/dbraw/zinc/89/62/20/584896220.db2.gz HBSMCTCDHGBZKK-AAEUAGOBSA-N 2 2 253.346 -0.471 20 0 CBADLP CN1CC[N@@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1=O ZINC000903728903 584896221 /nfs/dbraw/zinc/89/62/21/584896221.db2.gz HBSMCTCDHGBZKK-AAEUAGOBSA-N 2 2 253.346 -0.471 20 0 CBADLP [NH3+]C[C@@H]1C[N@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CCO1 ZINC000903744111 584896837 /nfs/dbraw/zinc/89/68/37/584896837.db2.gz OUQBXAOGANRQHF-YNEHKIRRSA-N 3 2 255.362 -0.586 20 0 CBADLP [NH3+]C[C@@H]1C[N@@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CCO1 ZINC000903744111 584896839 /nfs/dbraw/zinc/89/68/39/584896839.db2.gz OUQBXAOGANRQHF-YNEHKIRRSA-N 3 2 255.362 -0.586 20 0 CBADLP CNC(=O)[C@@H]1C[N@H+](C[C@H]2CCCC[NH2+]C2)CCO1 ZINC000903757158 584897580 /nfs/dbraw/zinc/89/75/80/584897580.db2.gz YSELGEVPRIABOD-RYUDHWBXSA-N 2 2 255.362 -0.177 20 0 CBADLP CNC(=O)[C@@H]1C[N@@H+](C[C@H]2CCCC[NH2+]C2)CCO1 ZINC000903757158 584897582 /nfs/dbraw/zinc/89/75/82/584897582.db2.gz YSELGEVPRIABOD-RYUDHWBXSA-N 2 2 255.362 -0.177 20 0 CBADLP C[C@@H]1C[N@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC(=O)N1 ZINC000903768691 584898075 /nfs/dbraw/zinc/89/80/75/584898075.db2.gz PJKBWPLFTOYVTC-MDZLAQPJSA-N 2 2 253.346 -0.425 20 0 CBADLP C[C@@H]1C[N@@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC(=O)N1 ZINC000903768691 584898076 /nfs/dbraw/zinc/89/80/76/584898076.db2.gz PJKBWPLFTOYVTC-MDZLAQPJSA-N 2 2 253.346 -0.425 20 0 CBADLP C[NH2+]CCN(C(=O)C(=O)N(C)Cc1[nH]cc[nH+]1)C(C)C ZINC000903819014 584900714 /nfs/dbraw/zinc/90/07/14/584900714.db2.gz DKISSKICIASDAG-UHFFFAOYSA-N 2 2 281.360 -0.176 20 0 CBADLP NC(=O)[C@]12CCC[C@H]1C[N@H+](C[C@H]1C[NH2+]CCO1)C2 ZINC000903826320 584901014 /nfs/dbraw/zinc/90/10/14/584901014.db2.gz ICIPRRUFPFPUHI-LOWVWBTDSA-N 2 2 253.346 -0.438 20 0 CBADLP NC(=O)[C@]12CCC[C@H]1C[N@@H+](C[C@H]1C[NH2+]CCO1)C2 ZINC000903826320 584901015 /nfs/dbraw/zinc/90/10/15/584901015.db2.gz ICIPRRUFPFPUHI-LOWVWBTDSA-N 2 2 253.346 -0.438 20 0 CBADLP [NH3+]C[C@@]12CC[C@@H]1CC[N@@H+]2CCC(=O)N1CC[NH2+]CC1 ZINC000903853075 584902101 /nfs/dbraw/zinc/90/21/01/584902101.db2.gz CYADEHDMDYWGMV-OCCSQVGLSA-N 3 2 266.389 -0.379 20 0 CBADLP [NH3+]C[C@@]12CC[C@@H]1CC[N@H+]2CCC(=O)N1CC[NH2+]CC1 ZINC000903853075 584902102 /nfs/dbraw/zinc/90/21/02/584902102.db2.gz CYADEHDMDYWGMV-OCCSQVGLSA-N 3 2 266.389 -0.379 20 0 CBADLP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2CCN1C(=O)CCC1=O ZINC000903852333 584902110 /nfs/dbraw/zinc/90/21/10/584902110.db2.gz ABDVFQXHDQEWEF-ZWNOBZJWSA-N 2 2 251.330 -0.051 20 0 CBADLP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2CCN1C(=O)CCC1=O ZINC000903852333 584902111 /nfs/dbraw/zinc/90/21/11/584902111.db2.gz ABDVFQXHDQEWEF-ZWNOBZJWSA-N 2 2 251.330 -0.051 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@H]3CC[C@@]32C[NH3+])CC1 ZINC000903856589 584902299 /nfs/dbraw/zinc/90/22/99/584902299.db2.gz AFLWDPSBWHSTRQ-UKRRQHHQSA-N 3 2 280.416 -0.036 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@H]3CC[C@@]32C[NH3+])CC1 ZINC000903856589 584902301 /nfs/dbraw/zinc/90/23/01/584902301.db2.gz AFLWDPSBWHSTRQ-UKRRQHHQSA-N 3 2 280.416 -0.036 20 0 CBADLP NS(=O)(=O)C[C@@H]1CCC[N@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000903892620 584903993 /nfs/dbraw/zinc/90/39/93/584903993.db2.gz KMPGYULNRUKDTC-RKDXNWHRSA-N 2 2 285.360 -0.031 20 0 CBADLP NS(=O)(=O)C[C@@H]1CCC[N@@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000903892620 584903995 /nfs/dbraw/zinc/90/39/95/584903995.db2.gz KMPGYULNRUKDTC-RKDXNWHRSA-N 2 2 285.360 -0.031 20 0 CBADLP Cc1c(C[C@H](C[NH3+])C[N@H+]2C[C@@H](C)O[C@H](CO)C2)cnn1C ZINC000903912530 584904601 /nfs/dbraw/zinc/90/46/01/584904601.db2.gz GLEGZWIKTJUNEF-KYOSRNDESA-N 2 2 296.415 -0.072 20 0 CBADLP Cc1c(C[C@H](C[NH3+])C[N@@H+]2C[C@@H](C)O[C@H](CO)C2)cnn1C ZINC000903912530 584904602 /nfs/dbraw/zinc/90/46/02/584904602.db2.gz GLEGZWIKTJUNEF-KYOSRNDESA-N 2 2 296.415 -0.072 20 0 CBADLP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CCCO[C@H](C[NH3+])C2)cnn1C ZINC000903930271 584904767 /nfs/dbraw/zinc/90/47/67/584904767.db2.gz WDBKDTVPYBYDFR-DZGCQCFKSA-N 3 2 295.431 -0.104 20 0 CBADLP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CCCO[C@H](C[NH3+])C2)cnn1C ZINC000903930271 584904768 /nfs/dbraw/zinc/90/47/68/584904768.db2.gz WDBKDTVPYBYDFR-DZGCQCFKSA-N 3 2 295.431 -0.104 20 0 CBADLP C[N@H+](CCOCC[NH3+])Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903936091 584904907 /nfs/dbraw/zinc/90/49/07/584904907.db2.gz YCLMUNKYRFFXTR-GFCCVEGCSA-N 3 2 282.392 -0.390 20 0 CBADLP C[N@@H+](CCOCC[NH3+])Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903936091 584904908 /nfs/dbraw/zinc/90/49/08/584904908.db2.gz YCLMUNKYRFFXTR-GFCCVEGCSA-N 3 2 282.392 -0.390 20 0 CBADLP O=S1(=O)CCNC[C@H]1CC[NH2+][C@H]1CCC[NH2+]C1 ZINC000903969623 584905275 /nfs/dbraw/zinc/90/52/75/584905275.db2.gz HUBGXENPOBKEAV-WDEREUQCSA-N 2 2 261.391 -0.895 20 0 CBADLP Cn1cc(C[N@@H+]2C[C@H]([NH3+])C(C)(C)C2)c(=O)n(C)c1=O ZINC000903984754 584905487 /nfs/dbraw/zinc/90/54/87/584905487.db2.gz YUJDGKFIBGHWJB-JTQLQIEISA-N 2 2 266.345 -0.747 20 0 CBADLP Cn1cc(C[N@H+]2C[C@H]([NH3+])C(C)(C)C2)c(=O)n(C)c1=O ZINC000903984754 584905488 /nfs/dbraw/zinc/90/54/88/584905488.db2.gz YUJDGKFIBGHWJB-JTQLQIEISA-N 2 2 266.345 -0.747 20 0 CBADLP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)C1C[NH+](C[C@H](C)O)C1 ZINC000949796773 614620122 /nfs/dbraw/zinc/62/01/22/614620122.db2.gz RDSLGGMDYPZGFK-AAEUAGOBSA-N 2 2 269.389 -0.006 20 0 CBADLP CCN(C(=O)[C@@H]1CCC[N@H+]1C)C1C[NH+](C[C@H](C)O)C1 ZINC000949796773 614620127 /nfs/dbraw/zinc/62/01/27/614620127.db2.gz RDSLGGMDYPZGFK-AAEUAGOBSA-N 2 2 269.389 -0.006 20 0 CBADLP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CC(N)=O)C1 ZINC000969798090 614680277 /nfs/dbraw/zinc/68/02/77/614680277.db2.gz RMFLLLMOAQSCGZ-YPMHNXCESA-N 2 2 296.415 -0.217 20 0 CBADLP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CC(N)=O)C1 ZINC000969798090 614680280 /nfs/dbraw/zinc/68/02/80/614680280.db2.gz RMFLLLMOAQSCGZ-YPMHNXCESA-N 2 2 296.415 -0.217 20 0 CBADLP CC[NH+]1CC(N2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)C1 ZINC000941586169 615087076 /nfs/dbraw/zinc/08/70/76/615087076.db2.gz UTMJFAAQTGOBEN-UHFFFAOYSA-N 2 2 277.372 -0.200 20 0 CBADLP CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC000972315797 615190749 /nfs/dbraw/zinc/19/07/49/615190749.db2.gz KBNQZZOHERQTKX-DZGCQCFKSA-N 2 2 297.399 -0.360 20 0 CBADLP CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC000972315797 615190751 /nfs/dbraw/zinc/19/07/51/615190751.db2.gz KBNQZZOHERQTKX-DZGCQCFKSA-N 2 2 297.399 -0.360 20 0 CBADLP CC[NH+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC000972315797 615190754 /nfs/dbraw/zinc/19/07/54/615190754.db2.gz KBNQZZOHERQTKX-DZGCQCFKSA-N 2 2 297.399 -0.360 20 0 CBADLP CC[NH+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000972315797 615190757 /nfs/dbraw/zinc/19/07/57/615190757.db2.gz KBNQZZOHERQTKX-DZGCQCFKSA-N 2 2 297.399 -0.360 20 0 CBADLP CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC000972315819 615191775 /nfs/dbraw/zinc/19/17/75/615191775.db2.gz KBNQZZOHERQTKX-UKRRQHHQSA-N 2 2 297.399 -0.360 20 0 CBADLP CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC000972315819 615191777 /nfs/dbraw/zinc/19/17/77/615191777.db2.gz KBNQZZOHERQTKX-UKRRQHHQSA-N 2 2 297.399 -0.360 20 0 CBADLP CC[NH+]1CCO[C@]2(CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC000972315819 615191778 /nfs/dbraw/zinc/19/17/78/615191778.db2.gz KBNQZZOHERQTKX-UKRRQHHQSA-N 2 2 297.399 -0.360 20 0 CBADLP CC[NH+]1CCO[C@]2(CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000972315819 615191780 /nfs/dbraw/zinc/19/17/80/615191780.db2.gz KBNQZZOHERQTKX-UKRRQHHQSA-N 2 2 297.399 -0.360 20 0 CBADLP CC[N@H+]1C[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)[C@H](O)C1 ZINC000958199408 615374037 /nfs/dbraw/zinc/37/40/37/615374037.db2.gz IFPDUYNLLHHGCA-ZWNOBZJWSA-N 2 2 296.371 -0.221 20 0 CBADLP CC[N@@H+]1C[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)[C@H](O)C1 ZINC000958199408 615374038 /nfs/dbraw/zinc/37/40/38/615374038.db2.gz IFPDUYNLLHHGCA-ZWNOBZJWSA-N 2 2 296.371 -0.221 20 0 CBADLP C[N@H+](CC(N)=O)[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC000971802102 616054178 /nfs/dbraw/zinc/05/41/78/616054178.db2.gz YTGYAJNGRRUBNV-VXGBXAGGSA-N 2 2 282.388 -0.511 20 0 CBADLP C[N@@H+](CC(N)=O)[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC000971802102 616054179 /nfs/dbraw/zinc/05/41/79/616054179.db2.gz YTGYAJNGRRUBNV-VXGBXAGGSA-N 2 2 282.388 -0.511 20 0 CBADLP C[NH+](CC(N)=O)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000971802102 616054180 /nfs/dbraw/zinc/05/41/80/616054180.db2.gz YTGYAJNGRRUBNV-VXGBXAGGSA-N 2 2 282.388 -0.511 20 0 CBADLP C[NH+](CC(N)=O)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000971802102 616054181 /nfs/dbraw/zinc/05/41/81/616054181.db2.gz YTGYAJNGRRUBNV-VXGBXAGGSA-N 2 2 282.388 -0.511 20 0 CBADLP C[N@H+](CCO)[C@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000971814948 616113218 /nfs/dbraw/zinc/11/32/18/616113218.db2.gz WNZPQLWMHFEXQK-OLZOCXBDSA-N 2 2 292.383 -0.030 20 0 CBADLP C[N@@H+](CCO)[C@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000971814948 616113219 /nfs/dbraw/zinc/11/32/19/616113219.db2.gz WNZPQLWMHFEXQK-OLZOCXBDSA-N 2 2 292.383 -0.030 20 0 CBADLP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CC(N)=O)CC2(C)C)C1 ZINC000977599307 616267138 /nfs/dbraw/zinc/26/71/38/616267138.db2.gz LWPMEGJCCFOPAX-GHMZBOCLSA-N 2 2 282.388 -0.750 20 0 CBADLP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CC(N)=O)CC2(C)C)C1 ZINC000977599307 616267139 /nfs/dbraw/zinc/26/71/39/616267139.db2.gz LWPMEGJCCFOPAX-GHMZBOCLSA-N 2 2 282.388 -0.750 20 0 CBADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CC(N)=O)CC2(C)C)C1 ZINC000977599307 616267140 /nfs/dbraw/zinc/26/71/40/616267140.db2.gz LWPMEGJCCFOPAX-GHMZBOCLSA-N 2 2 282.388 -0.750 20 0 CBADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CC(N)=O)CC2(C)C)C1 ZINC000977599307 616267141 /nfs/dbraw/zinc/26/71/41/616267141.db2.gz LWPMEGJCCFOPAX-GHMZBOCLSA-N 2 2 282.388 -0.750 20 0 CBADLP COCC[NH+]1CC([C@H](C)NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000969442517 616321654 /nfs/dbraw/zinc/32/16/54/616321654.db2.gz RGHAWSDBQZCBFC-WCQYABFASA-N 2 2 285.388 -0.600 20 0 CBADLP COCC[NH+]1CC([C@H](C)NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000969442517 616321659 /nfs/dbraw/zinc/32/16/59/616321659.db2.gz RGHAWSDBQZCBFC-WCQYABFASA-N 2 2 285.388 -0.600 20 0 CBADLP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CC(N)=O)CC2(C)C)C1 ZINC000977452049 616392618 /nfs/dbraw/zinc/39/26/18/616392618.db2.gz KGPKTIRAAINPIR-VXGBXAGGSA-N 2 2 296.415 -0.360 20 0 CBADLP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CC(N)=O)CC2(C)C)C1 ZINC000977452049 616392620 /nfs/dbraw/zinc/39/26/20/616392620.db2.gz KGPKTIRAAINPIR-VXGBXAGGSA-N 2 2 296.415 -0.360 20 0 CBADLP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@H+](CC(N)=O)CC2(C)C)C1 ZINC000977452049 616392625 /nfs/dbraw/zinc/39/26/25/616392625.db2.gz KGPKTIRAAINPIR-VXGBXAGGSA-N 2 2 296.415 -0.360 20 0 CBADLP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@@H+](CC(N)=O)CC2(C)C)C1 ZINC000977452049 616392628 /nfs/dbraw/zinc/39/26/28/616392628.db2.gz KGPKTIRAAINPIR-VXGBXAGGSA-N 2 2 296.415 -0.360 20 0 CBADLP COCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1[nH]cc[nH+]1 ZINC000962138158 616466486 /nfs/dbraw/zinc/46/64/86/616466486.db2.gz CUUQIDMDCKIYBT-IWIIMEHWSA-N 2 2 264.329 -0.355 20 0 CBADLP COCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1[nH]cc[nH+]1 ZINC000962138158 616466491 /nfs/dbraw/zinc/46/64/91/616466491.db2.gz CUUQIDMDCKIYBT-IWIIMEHWSA-N 2 2 264.329 -0.355 20 0 CBADLP CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000970867925 616596507 /nfs/dbraw/zinc/59/65/07/616596507.db2.gz HYLJPQWIOPQKMW-MNOVXSKESA-N 2 2 282.388 -0.879 20 0 CBADLP CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000970867925 616596509 /nfs/dbraw/zinc/59/65/09/616596509.db2.gz HYLJPQWIOPQKMW-MNOVXSKESA-N 2 2 282.388 -0.879 20 0 CBADLP CNC(=O)C[N@@H+]1CCCN(C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC000981953690 616603421 /nfs/dbraw/zinc/60/34/21/616603421.db2.gz ROAGJSUAROVXMX-CYBMUJFWSA-N 2 2 296.415 -0.249 20 0 CBADLP CNC(=O)C[N@H+]1CCCN(C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC000981953690 616603424 /nfs/dbraw/zinc/60/34/24/616603424.db2.gz ROAGJSUAROVXMX-CYBMUJFWSA-N 2 2 296.415 -0.249 20 0 CBADLP CNC(=O)C[NH+]1CCCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC000981953690 616603428 /nfs/dbraw/zinc/60/34/28/616603428.db2.gz ROAGJSUAROVXMX-CYBMUJFWSA-N 2 2 296.415 -0.249 20 0 CBADLP CNC(=O)C[NH+]1CCCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC000981953690 616603430 /nfs/dbraw/zinc/60/34/30/616603430.db2.gz ROAGJSUAROVXMX-CYBMUJFWSA-N 2 2 296.415 -0.249 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC000948085835 616614095 /nfs/dbraw/zinc/61/40/95/616614095.db2.gz DPIUJOPDDDMJHM-NWDGAFQWSA-N 2 2 293.371 -0.402 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC000948085835 616614097 /nfs/dbraw/zinc/61/40/97/616614097.db2.gz DPIUJOPDDDMJHM-NWDGAFQWSA-N 2 2 293.371 -0.402 20 0 CBADLP CNC(=O)C[N@@H+]1C[C@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000977594472 616635126 /nfs/dbraw/zinc/63/51/26/616635126.db2.gz JXFOXWFHQGKVDF-LBPRGKRZSA-N 2 2 296.415 -0.345 20 0 CBADLP CNC(=O)C[N@H+]1C[C@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000977594472 616635129 /nfs/dbraw/zinc/63/51/29/616635129.db2.gz JXFOXWFHQGKVDF-LBPRGKRZSA-N 2 2 296.415 -0.345 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1 ZINC000963020321 616791497 /nfs/dbraw/zinc/79/14/97/616791497.db2.gz NIHDSEDBOHTURE-DCQANWLSSA-N 2 2 291.355 -0.936 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1 ZINC000963020321 616791504 /nfs/dbraw/zinc/79/15/04/616791504.db2.gz NIHDSEDBOHTURE-DCQANWLSSA-N 2 2 291.355 -0.936 20 0 CBADLP C[NH+](C)CC(=O)NCC[C@H]1CCN(C(=O)C[NH+](C)C)C1 ZINC000923149200 658163378 /nfs/dbraw/zinc/16/33/78/658163378.db2.gz DWSVCPXPNSCDIB-LBPRGKRZSA-N 2 2 284.404 -0.536 20 0 CBADLP COC(=O)c1cn(CC[NH2+][C@H]2CCC[NH2+][C@H]2C)nn1 ZINC000925665344 658864765 /nfs/dbraw/zinc/86/47/65/658864765.db2.gz DLGLIYJHICGFJY-UWVGGRQHSA-N 2 2 267.333 -0.205 20 0 CBADLP C[C@@H]([NH2+]CC[C@H]1CNCCS1(=O)=O)c1c[nH+]ccc1N ZINC000925789753 658872152 /nfs/dbraw/zinc/87/21/52/658872152.db2.gz XIZLONFNHWYFNV-MNOVXSKESA-N 2 2 298.412 -0.079 20 0 CBADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000935018041 659816094 /nfs/dbraw/zinc/81/60/94/659816094.db2.gz VKYNBYVQMBTLPG-UONOGXRCSA-N 2 2 280.416 -0.025 20 0 CBADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000935018041 659816095 /nfs/dbraw/zinc/81/60/95/659816095.db2.gz VKYNBYVQMBTLPG-UONOGXRCSA-N 2 2 280.416 -0.025 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CCCC[NH2+]1 ZINC000037008649 656002240 /nfs/dbraw/zinc/00/22/40/656002240.db2.gz GEXONJHXZUULLW-RYUDHWBXSA-N 2 2 255.362 -0.035 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000050247996 656020730 /nfs/dbraw/zinc/02/07/30/656020730.db2.gz AGWQSCVGLUDHSG-NSHDSACASA-N 2 2 270.377 -0.748 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000050247996 656020732 /nfs/dbraw/zinc/02/07/32/656020732.db2.gz AGWQSCVGLUDHSG-NSHDSACASA-N 2 2 270.377 -0.748 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C[C@@H]1CC[NH2+]C1 ZINC000089741832 656056199 /nfs/dbraw/zinc/05/61/99/656056199.db2.gz LMMPKHVZMBHJCL-NEPJUHHUSA-N 2 2 255.362 -0.177 20 0 CBADLP C[N@@H+]1CCN(S(=O)(=O)N2CC[NH2+]CC2)CC1(C)C ZINC000110724816 656065541 /nfs/dbraw/zinc/06/55/41/656065541.db2.gz LFNCQVMVXWPHKU-UHFFFAOYSA-N 2 2 276.406 -0.838 20 0 CBADLP C[N@H+]1CCN(S(=O)(=O)N2CC[NH2+]CC2)CC1(C)C ZINC000110724816 656065544 /nfs/dbraw/zinc/06/55/44/656065544.db2.gz LFNCQVMVXWPHKU-UHFFFAOYSA-N 2 2 276.406 -0.838 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H](C3OCCO3)C2)CC1 ZINC000180469270 656091329 /nfs/dbraw/zinc/09/13/29/656091329.db2.gz NGNQQCFKTVFKRI-ZDUSSCGKSA-N 2 2 297.399 -0.155 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H](C3OCCO3)C2)CC1 ZINC000180469270 656091336 /nfs/dbraw/zinc/09/13/36/656091336.db2.gz NGNQQCFKTVFKRI-ZDUSSCGKSA-N 2 2 297.399 -0.155 20 0 CBADLP CO[C@@H](C[NH3+])C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000227362480 656108346 /nfs/dbraw/zinc/10/83/46/656108346.db2.gz UIANQFIIAKEIRY-RYUDHWBXSA-N 2 2 271.361 -0.717 20 0 CBADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)N2CCO[C@H](C)C2)C1 ZINC000251826885 656122564 /nfs/dbraw/zinc/12/25/64/656122564.db2.gz PGVSLVOQYLBFMK-NEPJUHHUSA-N 2 2 255.362 -0.225 20 0 CBADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)N2CCO[C@H](C)C2)C1 ZINC000251826885 656122567 /nfs/dbraw/zinc/12/25/67/656122567.db2.gz PGVSLVOQYLBFMK-NEPJUHHUSA-N 2 2 255.362 -0.225 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(C[NH3+])CC1 ZINC000311147037 656145410 /nfs/dbraw/zinc/14/54/10/656145410.db2.gz MHDQMGMBJFHZGU-ZDUSSCGKSA-N 3 2 259.394 -0.404 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC(C[NH3+])CC1 ZINC000311147037 656145412 /nfs/dbraw/zinc/14/54/12/656145412.db2.gz MHDQMGMBJFHZGU-ZDUSSCGKSA-N 3 2 259.394 -0.404 20 0 CBADLP C[C@H]1CN(C(=O)C[N@@H+]2CC[C@@](C)(C[NH3+])C2)CCO1 ZINC000311152088 656145450 /nfs/dbraw/zinc/14/54/50/656145450.db2.gz NLNUAPNRFAUDKZ-AAEUAGOBSA-N 2 2 255.362 -0.096 20 0 CBADLP C[C@H]1CN(C(=O)C[N@H+]2CC[C@@](C)(C[NH3+])C2)CCO1 ZINC000311152088 656145452 /nfs/dbraw/zinc/14/54/52/656145452.db2.gz NLNUAPNRFAUDKZ-AAEUAGOBSA-N 2 2 255.362 -0.096 20 0 CBADLP CC(C)NS(=O)(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000321132659 656148243 /nfs/dbraw/zinc/14/82/43/656148243.db2.gz CGWQXQQIMFDHCE-UHFFFAOYSA-N 2 2 264.395 -0.758 20 0 CBADLP CN(C)C(=O)C[NH+]1CCN(C[C@H]2CCC[NH2+]2)CC1 ZINC000700783241 656177127 /nfs/dbraw/zinc/17/71/27/656177127.db2.gz GBEFCXYFLXZUCY-GFCCVEGCSA-N 2 2 254.378 -0.556 20 0 CBADLP C[NH+](C)CC1(O)CC[NH+](C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000710571783 656198643 /nfs/dbraw/zinc/19/86/43/656198643.db2.gz WFFORQQALXXAPF-CQSZACIVSA-N 3 2 285.432 -0.168 20 0 CBADLP COC[C@]1(C(=O)N2CC[NH+](C3CC3)CC2)C[NH2+]CCO1 ZINC000710750103 656200370 /nfs/dbraw/zinc/20/03/70/656200370.db2.gz ZYCZZGIKEWOUDM-AWEZNQCLSA-N 2 2 283.372 -0.702 20 0 CBADLP C[N@@H+]1CCN(C(=O)CN2CC[NH2+]CC2=O)CCC1(C)C ZINC000712626075 656211654 /nfs/dbraw/zinc/21/16/54/656211654.db2.gz MJPQNZHYNSFUKO-UHFFFAOYSA-N 2 2 282.388 -0.639 20 0 CBADLP C[N@H+]1CCN(C(=O)CN2CC[NH2+]CC2=O)CCC1(C)C ZINC000712626075 656211662 /nfs/dbraw/zinc/21/16/62/656211662.db2.gz MJPQNZHYNSFUKO-UHFFFAOYSA-N 2 2 282.388 -0.639 20 0 CBADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H]1C[C@H](S(C)(=O)=O)C1 ZINC000714251687 656215382 /nfs/dbraw/zinc/21/53/82/656215382.db2.gz XTIHEUQUQAKJQW-WISYIIOYSA-N 2 2 276.402 -0.081 20 0 CBADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)CN1CC[NH2+]CC1 ZINC000877432377 656247783 /nfs/dbraw/zinc/24/77/83/656247783.db2.gz CMHARZXDRSFUTL-CYBMUJFWSA-N 2 2 284.404 -0.881 20 0 CBADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)CN1CC[NH2+]CC1 ZINC000877432377 656247785 /nfs/dbraw/zinc/24/77/85/656247785.db2.gz CMHARZXDRSFUTL-CYBMUJFWSA-N 2 2 284.404 -0.881 20 0 CBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884427465 656253032 /nfs/dbraw/zinc/25/30/32/656253032.db2.gz XLHRMDNVZNTSDL-QWHCGFSZSA-N 2 2 299.415 -0.617 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000884638680 656253428 /nfs/dbraw/zinc/25/34/28/656253428.db2.gz FUTKCFFPEIGJBQ-OUAUKWLOSA-N 2 2 279.344 -0.664 20 0 CBADLP CCN(C(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1)[C@H]1CC[NH2+]C1 ZINC000884639477 656253534 /nfs/dbraw/zinc/25/35/34/656253534.db2.gz YVVHGJKDCCIRMX-RYUDHWBXSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000884638685 656253634 /nfs/dbraw/zinc/25/36/34/656253634.db2.gz FWZFVUXQKJLPRK-VXGBXAGGSA-N 2 2 293.371 -0.272 20 0 CBADLP CCN(C(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1)[C@@H]1CC[NH2+]C1 ZINC000884639476 656253646 /nfs/dbraw/zinc/25/36/46/656253646.db2.gz YVVHGJKDCCIRMX-NWDGAFQWSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000895739823 656284257 /nfs/dbraw/zinc/28/42/57/656284257.db2.gz IIKXCBMYWRYBDN-TZMCWYRMSA-N 2 2 297.399 -0.456 20 0 CBADLP C[C@@H](NC(=O)CC[NH+]1CCOCC1)[C@H]1C[N@H+](C)CCN1C ZINC000896564600 656289062 /nfs/dbraw/zinc/28/90/62/656289062.db2.gz QRFOVTFTVZQSJF-ZIAGYGMSSA-N 2 2 298.431 -0.541 20 0 CBADLP C[C@@H](NC(=O)CC[NH+]1CCOCC1)[C@H]1C[N@@H+](C)CCN1C ZINC000896564600 656289070 /nfs/dbraw/zinc/28/90/70/656289070.db2.gz QRFOVTFTVZQSJF-ZIAGYGMSSA-N 2 2 298.431 -0.541 20 0 CBADLP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CC[NH+](C(C)(C)CO)CC1 ZINC000901227938 656317508 /nfs/dbraw/zinc/31/75/08/656317508.db2.gz JRDGBDGDFUZJQL-IUODEOHRSA-N 2 2 299.415 -0.643 20 0 CBADLP C[N@@H+](Cc1ccc(N2CC[NH2+]CC2)o1)C[C@@H](O)C[NH3+] ZINC000904358548 656325358 /nfs/dbraw/zinc/32/53/58/656325358.db2.gz PARCPWQANBTPGR-NSHDSACASA-N 3 2 268.361 -0.559 20 0 CBADLP C[N@H+](Cc1ccc(N2CC[NH2+]CC2)o1)C[C@@H](O)C[NH3+] ZINC000904358548 656325360 /nfs/dbraw/zinc/32/53/60/656325360.db2.gz PARCPWQANBTPGR-NSHDSACASA-N 3 2 268.361 -0.559 20 0 CBADLP C[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]3CC[C@@]32C[NH3+])CC1 ZINC000904968503 656331204 /nfs/dbraw/zinc/33/12/04/656331204.db2.gz BLUVHGCUHPMTKM-SWLSCSKDSA-N 2 2 294.399 -0.510 20 0 CBADLP CC[NH+]1CCN(C(=O)C2CN(C)CC[N@H+](C)C2)CC1 ZINC000905019908 656334079 /nfs/dbraw/zinc/33/40/79/656334079.db2.gz PBGAUPOFFGNESQ-UHFFFAOYSA-N 2 2 268.405 -0.356 20 0 CBADLP CC[NH+]1CCN(C(=O)C2CN(C)CC[N@@H+](C)C2)CC1 ZINC000905019908 656334081 /nfs/dbraw/zinc/33/40/81/656334081.db2.gz PBGAUPOFFGNESQ-UHFFFAOYSA-N 2 2 268.405 -0.356 20 0 CBADLP C[C@@H]([NH3+])[C@@H](C)NS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000905343572 656350694 /nfs/dbraw/zinc/35/06/94/656350694.db2.gz JVKHSOAARSMLFQ-GHMZBOCLSA-N 2 2 279.406 -0.636 20 0 CBADLP C[C@H](CCC[NH3+])NS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000905344976 656351497 /nfs/dbraw/zinc/35/14/97/656351497.db2.gz SCMJIRBKYHMALU-GFCCVEGCSA-N 2 2 293.433 -0.245 20 0 CBADLP C[C@](O)(C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)C(F)F ZINC000905392336 656356400 /nfs/dbraw/zinc/35/64/00/656356400.db2.gz YWLWIGDFQUKJME-CABZTGNLSA-N 2 2 279.331 -0.068 20 0 CBADLP C[C@](O)(C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)C(F)F ZINC000905392336 656356405 /nfs/dbraw/zinc/35/64/05/656356405.db2.gz YWLWIGDFQUKJME-CABZTGNLSA-N 2 2 279.331 -0.068 20 0 CBADLP C[C@@H](O)C[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000905448043 656357633 /nfs/dbraw/zinc/35/76/33/656357633.db2.gz WZDROVNQQAFMKY-KGLIPLIRSA-N 2 2 271.405 -0.247 20 0 CBADLP C[C@H](O)C[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000905448044 656357669 /nfs/dbraw/zinc/35/76/69/656357669.db2.gz WZDROVNQQAFMKY-UONOGXRCSA-N 2 2 271.405 -0.247 20 0 CBADLP CCO[C@H](C[NH2+]C[C@H](O)C1(O)CCOCC1)C[NH+](C)C ZINC000905575173 656362339 /nfs/dbraw/zinc/36/23/39/656362339.db2.gz HFKRDRQPYVARDE-OLZOCXBDSA-N 2 2 290.404 -0.555 20 0 CBADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@@H](O)CO ZINC000905710108 656366723 /nfs/dbraw/zinc/36/67/23/656366723.db2.gz SXXTYZZDUCYMFE-ZIAGYGMSSA-N 2 2 268.357 -0.578 20 0 CBADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@@H](O)CO ZINC000905710108 656366725 /nfs/dbraw/zinc/36/67/25/656366725.db2.gz SXXTYZZDUCYMFE-ZIAGYGMSSA-N 2 2 268.357 -0.578 20 0 CBADLP C[NH+]1CCN(c2ncc(C[NH2+][C@H]3C[C@H]([NH3+])C3)cn2)CC1 ZINC000906516298 656390412 /nfs/dbraw/zinc/39/04/12/656390412.db2.gz BKLSMDUUGNNCKH-JOCQHMNTSA-N 3 2 276.388 -0.192 20 0 CBADLP C[C@@H]1CN(C(=O)C2CN(C)CC[NH+](C)C2)CC[N@@H+]1C ZINC000906817315 656402637 /nfs/dbraw/zinc/40/26/37/656402637.db2.gz YWFBFNCZBIVYIY-GFCCVEGCSA-N 2 2 268.405 -0.358 20 0 CBADLP C[C@@H]1CN(C(=O)C2CN(C)CC[NH+](C)C2)CC[N@H+]1C ZINC000906817315 656402640 /nfs/dbraw/zinc/40/26/40/656402640.db2.gz YWFBFNCZBIVYIY-GFCCVEGCSA-N 2 2 268.405 -0.358 20 0 CBADLP C[C@@H]1CN(C(=O)C2CN(C)CC[N@H+](C)C2)CC[NH+]1C ZINC000906817315 656402642 /nfs/dbraw/zinc/40/26/42/656402642.db2.gz YWFBFNCZBIVYIY-GFCCVEGCSA-N 2 2 268.405 -0.358 20 0 CBADLP C[C@@H]1CN(C(=O)C2CN(C)CC[N@@H+](C)C2)CC[NH+]1C ZINC000906817315 656402645 /nfs/dbraw/zinc/40/26/45/656402645.db2.gz YWFBFNCZBIVYIY-GFCCVEGCSA-N 2 2 268.405 -0.358 20 0 CBADLP C[C@H]([NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC1(C)C)C(N)=O ZINC000996458266 656414281 /nfs/dbraw/zinc/41/42/81/656414281.db2.gz SWUOTWYGXIMAKD-VHSXEESVSA-N 2 2 293.371 -0.347 20 0 CBADLP NC(=O)C[NH2+]C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000996649410 656448295 /nfs/dbraw/zinc/44/82/95/656448295.db2.gz CNZXYCFSCAJEOX-UHFFFAOYSA-N 2 2 279.344 -0.592 20 0 CBADLP NC(=O)C[NH2+]C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000996649410 656448304 /nfs/dbraw/zinc/44/83/04/656448304.db2.gz CNZXYCFSCAJEOX-UHFFFAOYSA-N 2 2 279.344 -0.592 20 0 CBADLP CC1(C)CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1[NH2+]CCO ZINC000996713384 656454457 /nfs/dbraw/zinc/45/44/57/656454457.db2.gz IOTHEINVBQZJDI-NSHDSACASA-N 2 2 266.345 -0.298 20 0 CBADLP C[C@H]([NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC1(C)C)C(N)=O ZINC000996714329 656454642 /nfs/dbraw/zinc/45/46/42/656454642.db2.gz KLSUFANIRMYIEO-WDEREUQCSA-N 2 2 293.371 -0.417 20 0 CBADLP CC[C@H]([NH2+]C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1)C(N)=O ZINC000997129612 656468378 /nfs/dbraw/zinc/46/83/78/656468378.db2.gz ZWDZRYLFSVEQDE-NSHDSACASA-N 2 2 293.371 -0.203 20 0 CBADLP C[C@@H](O)C[NH2+]C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC000997180617 656468983 /nfs/dbraw/zinc/46/89/83/656468983.db2.gz REAGVBLCCMHLEF-LLVKDONJSA-N 2 2 280.372 -0.076 20 0 CBADLP CC[C@@H]([NH2+]C1CCN(C(=O)Cn2cc[nH+]c2)CC1)C(N)=O ZINC000997416520 656476829 /nfs/dbraw/zinc/47/68/29/656476829.db2.gz KXMIAOSGJXXYAT-GFCCVEGCSA-N 2 2 293.371 -0.272 20 0 CBADLP C[C@H]([NH2+]C1CCN(C(=O)Cn2cc[nH+]c2)CC1)C(N)=O ZINC000997413968 656476970 /nfs/dbraw/zinc/47/69/70/656476970.db2.gz XTODYVFQINSFSV-JTQLQIEISA-N 2 2 279.344 -0.663 20 0 CBADLP Cn1c[nH+]cc1CCNC(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000907309001 656485392 /nfs/dbraw/zinc/48/53/92/656485392.db2.gz YIPOBFBYAGAOSP-DGCLKSJQSA-N 2 2 266.345 -0.466 20 0 CBADLP Cn1c[nH+]cc1CCNC(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC000907309001 656485405 /nfs/dbraw/zinc/48/54/05/656485405.db2.gz YIPOBFBYAGAOSP-DGCLKSJQSA-N 2 2 266.345 -0.466 20 0 CBADLP C/C(=C\C(=O)NC[C@]1(O)CC[N@@H+](C)C1)C[NH+]1CCOCC1 ZINC000907389851 656499309 /nfs/dbraw/zinc/49/93/09/656499309.db2.gz VBWYRDZZUJZHKI-BMQCOBNYSA-N 2 2 297.399 -0.552 20 0 CBADLP C/C(=C\C(=O)NC[C@]1(O)CC[N@H+](C)C1)C[NH+]1CCOCC1 ZINC000907389851 656499319 /nfs/dbraw/zinc/49/93/19/656499319.db2.gz VBWYRDZZUJZHKI-BMQCOBNYSA-N 2 2 297.399 -0.552 20 0 CBADLP C[C@H](O)C[N@@H+]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@@H](C)C1 ZINC000907515313 656518289 /nfs/dbraw/zinc/51/82/89/656518289.db2.gz AUDMVWDPOGFMOQ-QWRGUYRKSA-N 2 2 266.345 -0.134 20 0 CBADLP C[C@H](O)C[N@H+]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@@H](C)C1 ZINC000907515313 656518292 /nfs/dbraw/zinc/51/82/92/656518292.db2.gz AUDMVWDPOGFMOQ-QWRGUYRKSA-N 2 2 266.345 -0.134 20 0 CBADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@@H](C)C1 ZINC000907515314 656518450 /nfs/dbraw/zinc/51/84/50/656518450.db2.gz AUDMVWDPOGFMOQ-WDEREUQCSA-N 2 2 266.345 -0.134 20 0 CBADLP C[C@@H](O)C[N@H+]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@@H](C)C1 ZINC000907515314 656518464 /nfs/dbraw/zinc/51/84/64/656518464.db2.gz AUDMVWDPOGFMOQ-WDEREUQCSA-N 2 2 266.345 -0.134 20 0 CBADLP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCC[NH+]1CCCOCC1 ZINC000907614409 656541065 /nfs/dbraw/zinc/54/10/65/656541065.db2.gz YCVIUQIIUVMAGO-JSGCOSHPSA-N 2 2 285.388 -0.720 20 0 CBADLP C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCC[NH+]1CCCOCC1 ZINC000907614409 656541070 /nfs/dbraw/zinc/54/10/70/656541070.db2.gz YCVIUQIIUVMAGO-JSGCOSHPSA-N 2 2 285.388 -0.720 20 0 CBADLP C[NH+]1C[C@@H](O)C[C@@]1(C)C(=O)NCC[N@H+]1CCCOCC1 ZINC000907614409 656541083 /nfs/dbraw/zinc/54/10/83/656541083.db2.gz YCVIUQIIUVMAGO-JSGCOSHPSA-N 2 2 285.388 -0.720 20 0 CBADLP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CC[NH+](C)C(C)(C)C1 ZINC000907976474 656616499 /nfs/dbraw/zinc/61/64/99/656616499.db2.gz UFHIIZKMGCYDBP-BXUZGUMPSA-N 2 2 269.389 -0.006 20 0 CBADLP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CC[NH+](C)C(C)(C)C1 ZINC000907976474 656616504 /nfs/dbraw/zinc/61/65/04/656616504.db2.gz UFHIIZKMGCYDBP-BXUZGUMPSA-N 2 2 269.389 -0.006 20 0 CBADLP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000907976474 656616509 /nfs/dbraw/zinc/61/65/09/656616509.db2.gz UFHIIZKMGCYDBP-BXUZGUMPSA-N 2 2 269.389 -0.006 20 0 CBADLP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000907976474 656616514 /nfs/dbraw/zinc/61/65/14/656616514.db2.gz UFHIIZKMGCYDBP-BXUZGUMPSA-N 2 2 269.389 -0.006 20 0 CBADLP CN(C(=O)Cc1c[nH+]c[nH]1)C1CC([NH2+][C@H]2CCNC2=O)C1 ZINC000999468529 656630592 /nfs/dbraw/zinc/63/05/92/656630592.db2.gz GFUXDYPJFIUWGH-NHNAUAITSA-N 2 2 291.355 -0.580 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C1CC([NH2+][C@@H](C)C(N)=O)C1 ZINC000999748630 656648062 /nfs/dbraw/zinc/64/80/62/656648062.db2.gz ZJGKXUNDBXDYHP-WHXUTIOJSA-N 2 2 293.371 -0.287 20 0 CBADLP C/C(=C\C(=O)N[C@H](CO)C[NH+](C)C)C[NH+]1CCOCC1 ZINC000908199004 656662758 /nfs/dbraw/zinc/66/27/58/656662758.db2.gz BJDOLTGHBFGTRX-RPHSKFLZSA-N 2 2 285.388 -0.696 20 0 CBADLP C[NH+](C)C[C@@H](CO)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC000908199381 656663751 /nfs/dbraw/zinc/66/37/51/656663751.db2.gz DMWDWUMOEUJSLI-GWCFXTLKSA-N 2 2 295.387 -0.171 20 0 CBADLP C[NH+](C)C[C@@H](CO)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC000908199381 656663760 /nfs/dbraw/zinc/66/37/60/656663760.db2.gz DMWDWUMOEUJSLI-GWCFXTLKSA-N 2 2 295.387 -0.171 20 0 CBADLP CC[C@H]([NH2+]C1CC(N(C)C(=O)Cn2cc[nH+]c2)C1)C(N)=O ZINC000999915161 656668791 /nfs/dbraw/zinc/66/87/91/656668791.db2.gz GZMLCXCLQLBXBX-MCIGGMRASA-N 2 2 293.371 -0.274 20 0 CBADLP C[C@@H](O)C[NH2+][C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001000314424 656710408 /nfs/dbraw/zinc/71/04/08/656710408.db2.gz WOJBCGXENUJGMA-GHMZBOCLSA-N 2 2 266.345 -0.086 20 0 CBADLP C[C@H]([NH2+][C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1)C(N)=O ZINC001000545512 656736559 /nfs/dbraw/zinc/73/65/59/656736559.db2.gz NEPVOCLWQYGAJF-VHSXEESVSA-N 2 2 279.344 -0.593 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N1CCC[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001000566047 656739169 /nfs/dbraw/zinc/73/91/69/656739169.db2.gz RXUXEBBGJHNXCQ-MNOVXSKESA-N 2 2 291.355 -0.579 20 0 CBADLP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000908757935 656757933 /nfs/dbraw/zinc/75/79/33/656757933.db2.gz GHTMOHSDWFNMNM-NDMJEZRESA-N 2 2 264.329 -0.621 20 0 CBADLP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000908757935 656757937 /nfs/dbraw/zinc/75/79/37/656757937.db2.gz GHTMOHSDWFNMNM-NDMJEZRESA-N 2 2 264.329 -0.621 20 0 CBADLP O=C(N[C@H]1Cc2c[nH+]cn2C1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000908758918 656758121 /nfs/dbraw/zinc/75/81/21/656758121.db2.gz SUHDYDHARNARBU-NWDGAFQWSA-N 2 2 276.340 -0.355 20 0 CBADLP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000908757934 656758709 /nfs/dbraw/zinc/75/87/09/656758709.db2.gz GHTMOHSDWFNMNM-IRUJWGPZSA-N 2 2 264.329 -0.621 20 0 CBADLP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000908757934 656758713 /nfs/dbraw/zinc/75/87/13/656758713.db2.gz GHTMOHSDWFNMNM-IRUJWGPZSA-N 2 2 264.329 -0.621 20 0 CBADLP C[C@H](O)C[NH2+][C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001001053465 656792866 /nfs/dbraw/zinc/79/28/66/656792866.db2.gz XYEOPQSLIVEULU-RYUDHWBXSA-N 2 2 266.345 -0.156 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC1CC[NH+](CCCO)CC1 ZINC001003977833 656878694 /nfs/dbraw/zinc/87/86/94/656878694.db2.gz YITSXXVWYGCRGJ-UHFFFAOYSA-N 2 2 280.372 -0.074 20 0 CBADLP CNC(=O)[C@@H](C)[NH+]1CCC(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001004258528 656883216 /nfs/dbraw/zinc/88/32/16/656883216.db2.gz SSVZQZGOAZYXFR-LLVKDONJSA-N 2 2 293.371 -0.402 20 0 CBADLP C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)N3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC000910908046 656901151 /nfs/dbraw/zinc/90/11/51/656901151.db2.gz XZHRDUWUALRWHR-DOMZBBRYSA-N 2 2 294.399 -0.830 20 0 CBADLP C[N@H+]1C[C@@H]2CN(C(=O)C(=O)N3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC000910908046 656901158 /nfs/dbraw/zinc/90/11/58/656901158.db2.gz XZHRDUWUALRWHR-DOMZBBRYSA-N 2 2 294.399 -0.830 20 0 CBADLP C[NH2+]CCN(C(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1)C(C)C ZINC000911230583 656990229 /nfs/dbraw/zinc/99/02/29/656990229.db2.gz ROECIQSHVWNDGI-GFCCVEGCSA-N 2 2 295.387 -0.156 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000911230707 656990285 /nfs/dbraw/zinc/99/02/85/656990285.db2.gz UTFQCGLRFBVJGP-GRYCIOLGSA-N 2 2 293.371 -0.559 20 0 CBADLP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000911373725 657030286 /nfs/dbraw/zinc/03/02/86/657030286.db2.gz IZDLJNTXZXNACD-VXGBXAGGSA-N 2 2 293.371 -0.544 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)NCC[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000911395655 657035234 /nfs/dbraw/zinc/03/52/34/657035234.db2.gz OLHWCRSZSJNPSC-CHWSQXEVSA-N 2 2 296.415 -0.488 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001008398339 657043143 /nfs/dbraw/zinc/04/31/43/657043143.db2.gz ICVAJVFZQHOSGB-WCQYABFASA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001008398339 657043149 /nfs/dbraw/zinc/04/31/49/657043149.db2.gz ICVAJVFZQHOSGB-WCQYABFASA-N 2 2 296.415 -0.217 20 0 CBADLP CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001008407144 657045277 /nfs/dbraw/zinc/04/52/77/657045277.db2.gz RBLYLGLCBPFSKX-ZDUSSCGKSA-N 2 2 296.415 -0.345 20 0 CBADLP CNC(=O)C[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001008407144 657045281 /nfs/dbraw/zinc/04/52/81/657045281.db2.gz RBLYLGLCBPFSKX-ZDUSSCGKSA-N 2 2 296.415 -0.345 20 0 CBADLP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CC[NH+](CCCF)CC1 ZINC000911591262 657083144 /nfs/dbraw/zinc/08/31/44/657083144.db2.gz YTKOJAGQDKFZOM-GXTWGEPZSA-N 2 2 287.379 -0.055 20 0 CBADLP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CC[NH+](CCCF)CC1 ZINC000911591262 657083149 /nfs/dbraw/zinc/08/31/49/657083149.db2.gz YTKOJAGQDKFZOM-GXTWGEPZSA-N 2 2 287.379 -0.055 20 0 CBADLP C[C@@H](O)C[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001009714004 657092311 /nfs/dbraw/zinc/09/23/11/657092311.db2.gz CGYBYOWPWQJJSZ-NEPJUHHUSA-N 2 2 266.345 -0.156 20 0 CBADLP C[C@@H](O)C[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001009714004 657092314 /nfs/dbraw/zinc/09/23/14/657092314.db2.gz CGYBYOWPWQJJSZ-NEPJUHHUSA-N 2 2 266.345 -0.156 20 0 CBADLP C[C@@H](O)C[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001009714014 657092572 /nfs/dbraw/zinc/09/25/72/657092572.db2.gz CGYBYOWPWQJJSZ-VXGBXAGGSA-N 2 2 266.345 -0.156 20 0 CBADLP C[C@@H](O)C[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001009714014 657092579 /nfs/dbraw/zinc/09/25/79/657092579.db2.gz CGYBYOWPWQJJSZ-VXGBXAGGSA-N 2 2 266.345 -0.156 20 0 CBADLP CN(CCN1CC[NH2+]CC1)C(=O)C[C@H]([NH3+])C(F)F ZINC000911775494 657125957 /nfs/dbraw/zinc/12/59/57/657125957.db2.gz QARUJPUAPBPQGA-VIFPVBQESA-N 2 2 264.320 -0.668 20 0 CBADLP CN(C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)[C@@H]1CC[NH2+]C1 ZINC000911789857 657130371 /nfs/dbraw/zinc/13/03/71/657130371.db2.gz XHTSVQVYFVSVFK-MCIONIFRSA-N 2 2 297.399 -0.314 20 0 CBADLP C[NH+](C)CCN1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1=O ZINC000911873584 657150247 /nfs/dbraw/zinc/15/02/47/657150247.db2.gz HYMLRBWBNDSYQL-UHFFFAOYSA-N 2 2 279.344 -0.815 20 0 CBADLP CN1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)[C@@H](C[NH3+])C1 ZINC000911874722 657151555 /nfs/dbraw/zinc/15/15/55/657151555.db2.gz DVSBNANNKJOHSL-AAEUAGOBSA-N 2 2 277.372 -0.453 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001010368472 657164193 /nfs/dbraw/zinc/16/41/93/657164193.db2.gz DSUIDFGHYOOOBU-MNOVXSKESA-N 2 2 268.361 -0.983 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001010368472 657164198 /nfs/dbraw/zinc/16/41/98/657164198.db2.gz DSUIDFGHYOOOBU-MNOVXSKESA-N 2 2 268.361 -0.983 20 0 CBADLP CNC(=O)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001010368472 657164204 /nfs/dbraw/zinc/16/42/04/657164204.db2.gz DSUIDFGHYOOOBU-MNOVXSKESA-N 2 2 268.361 -0.983 20 0 CBADLP CNC(=O)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001010368472 657164213 /nfs/dbraw/zinc/16/42/13/657164213.db2.gz DSUIDFGHYOOOBU-MNOVXSKESA-N 2 2 268.361 -0.983 20 0 CBADLP C[N@H+](CC(=O)N1CC[NH+](C)C[C@@H]1CO)C1CCC1 ZINC000912735939 657319052 /nfs/dbraw/zinc/31/90/52/657319052.db2.gz KELNGAJLONPDBL-GFCCVEGCSA-N 2 2 255.362 -0.394 20 0 CBADLP C[N@@H+](CC(=O)N1CC[NH+](C)C[C@@H]1CO)C1CCC1 ZINC000912735939 657319056 /nfs/dbraw/zinc/31/90/56/657319056.db2.gz KELNGAJLONPDBL-GFCCVEGCSA-N 2 2 255.362 -0.394 20 0 CBADLP C[NH+](CC(=O)N1CC[N@H+](C)C[C@@H]1CO)C1CCC1 ZINC000912735939 657319060 /nfs/dbraw/zinc/31/90/60/657319060.db2.gz KELNGAJLONPDBL-GFCCVEGCSA-N 2 2 255.362 -0.394 20 0 CBADLP C[NH+](CC(=O)N1CC[N@@H+](C)C[C@@H]1CO)C1CCC1 ZINC000912735939 657319066 /nfs/dbraw/zinc/31/90/66/657319066.db2.gz KELNGAJLONPDBL-GFCCVEGCSA-N 2 2 255.362 -0.394 20 0 CBADLP C[NH+](C)CCn1ccc(C(=O)N2CC[N@H+](C)C[C@H]2CO)n1 ZINC000912736140 657319351 /nfs/dbraw/zinc/31/93/51/657319351.db2.gz OBMZDTCSQQQQIQ-LBPRGKRZSA-N 2 2 295.387 -0.807 20 0 CBADLP C[NH+](C)CCn1ccc(C(=O)N2CC[N@@H+](C)C[C@H]2CO)n1 ZINC000912736140 657319360 /nfs/dbraw/zinc/31/93/60/657319360.db2.gz OBMZDTCSQQQQIQ-LBPRGKRZSA-N 2 2 295.387 -0.807 20 0 CBADLP C[N@@H+]1CCN(C(=O)[C@@H]2CC[NH+]2C(C)(C)C)[C@@H](CO)C1 ZINC000912736330 657320173 /nfs/dbraw/zinc/32/01/73/657320173.db2.gz SIAXQADNSCGZAD-NEPJUHHUSA-N 2 2 269.389 -0.006 20 0 CBADLP C[N@H+]1CCN(C(=O)[C@@H]2CC[NH+]2C(C)(C)C)[C@@H](CO)C1 ZINC000912736330 657320179 /nfs/dbraw/zinc/32/01/79/657320179.db2.gz SIAXQADNSCGZAD-NEPJUHHUSA-N 2 2 269.389 -0.006 20 0 CBADLP C[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)[C@@H](CO)C1 ZINC000912736330 657320185 /nfs/dbraw/zinc/32/01/85/657320185.db2.gz SIAXQADNSCGZAD-NEPJUHHUSA-N 2 2 269.389 -0.006 20 0 CBADLP C[NH+]1CCN(C(=O)[C@@H]2CC[N@H+]2C(C)(C)C)[C@@H](CO)C1 ZINC000912736330 657320192 /nfs/dbraw/zinc/32/01/92/657320192.db2.gz SIAXQADNSCGZAD-NEPJUHHUSA-N 2 2 269.389 -0.006 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000912897756 657355316 /nfs/dbraw/zinc/35/53/16/657355316.db2.gz XRLJPCXBNWSKDP-UHFFFAOYSA-N 2 2 294.355 -0.243 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000912897756 657355319 /nfs/dbraw/zinc/35/53/19/657355319.db2.gz XRLJPCXBNWSKDP-UHFFFAOYSA-N 2 2 294.355 -0.243 20 0 CBADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@H]1CC[N@@H+](CCO)C1 ZINC001014498779 657363315 /nfs/dbraw/zinc/36/33/15/657363315.db2.gz UWDFUSNYMVGOAW-LBPRGKRZSA-N 2 2 292.383 -0.055 20 0 CBADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@H]1CC[N@H+](CCO)C1 ZINC001014498779 657363319 /nfs/dbraw/zinc/36/33/19/657363319.db2.gz UWDFUSNYMVGOAW-LBPRGKRZSA-N 2 2 292.383 -0.055 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001014485913 657363684 /nfs/dbraw/zinc/36/36/84/657363684.db2.gz XFKFDHYWCFAFQG-GRYCIOLGSA-N 2 2 282.388 -0.737 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001014485913 657363688 /nfs/dbraw/zinc/36/36/88/657363688.db2.gz XFKFDHYWCFAFQG-GRYCIOLGSA-N 2 2 282.388 -0.737 20 0 CBADLP CNC(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001014485913 657363692 /nfs/dbraw/zinc/36/36/92/657363692.db2.gz XFKFDHYWCFAFQG-GRYCIOLGSA-N 2 2 282.388 -0.737 20 0 CBADLP CNC(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001014485913 657363696 /nfs/dbraw/zinc/36/36/96/657363696.db2.gz XFKFDHYWCFAFQG-GRYCIOLGSA-N 2 2 282.388 -0.737 20 0 CBADLP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001014704850 657378312 /nfs/dbraw/zinc/37/83/12/657378312.db2.gz NELHWIAKLVKMBE-QWHCGFSZSA-N 2 2 296.415 -0.360 20 0 CBADLP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001014704850 657378318 /nfs/dbraw/zinc/37/83/18/657378318.db2.gz NELHWIAKLVKMBE-QWHCGFSZSA-N 2 2 296.415 -0.360 20 0 CBADLP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)C1 ZINC001014704850 657378320 /nfs/dbraw/zinc/37/83/20/657378320.db2.gz NELHWIAKLVKMBE-QWHCGFSZSA-N 2 2 296.415 -0.360 20 0 CBADLP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)C1 ZINC001014704850 657378324 /nfs/dbraw/zinc/37/83/24/657378324.db2.gz NELHWIAKLVKMBE-QWHCGFSZSA-N 2 2 296.415 -0.360 20 0 CBADLP O=C(N[C@@H]1CC[N@@H+](CCO)C1)[C@H]1CCn2cc[nH+]c2C1 ZINC001014999870 657396614 /nfs/dbraw/zinc/39/66/14/657396614.db2.gz MDZSDLJTPYWTMQ-NWDGAFQWSA-N 2 2 278.356 -0.372 20 0 CBADLP O=C(N[C@@H]1CC[N@H+](CCO)C1)[C@H]1CCn2cc[nH+]c2C1 ZINC001014999870 657396619 /nfs/dbraw/zinc/39/66/19/657396619.db2.gz MDZSDLJTPYWTMQ-NWDGAFQWSA-N 2 2 278.356 -0.372 20 0 CBADLP O=C(N[C@H]1CC[N@@H+](CCO)C1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001014999867 657396765 /nfs/dbraw/zinc/39/67/65/657396765.db2.gz MDZSDLJTPYWTMQ-NEPJUHHUSA-N 2 2 278.356 -0.372 20 0 CBADLP O=C(N[C@H]1CC[N@H+](CCO)C1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001014999867 657396771 /nfs/dbraw/zinc/39/67/71/657396771.db2.gz MDZSDLJTPYWTMQ-NEPJUHHUSA-N 2 2 278.356 -0.372 20 0 CBADLP C[NH+](C)Cc1cc(C(=O)N[C@H]2CC[N@H+](CCCO)C2)no1 ZINC001015025786 657398404 /nfs/dbraw/zinc/39/84/04/657398404.db2.gz BVPOAUVAMRGLHE-NSHDSACASA-N 2 2 296.371 -0.077 20 0 CBADLP C[NH+](C)Cc1cc(C(=O)N[C@H]2CC[N@@H+](CCCO)C2)no1 ZINC001015025786 657398407 /nfs/dbraw/zinc/39/84/07/657398407.db2.gz BVPOAUVAMRGLHE-NSHDSACASA-N 2 2 296.371 -0.077 20 0 CBADLP CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC000913183703 657404904 /nfs/dbraw/zinc/40/49/04/657404904.db2.gz KAHVVFKVWSLKED-RISCZKNCSA-N 2 2 285.388 -0.674 20 0 CBADLP CC(C)(C)[N@H+]1CC[C@@H]1C(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC000913183703 657404911 /nfs/dbraw/zinc/40/49/11/657404911.db2.gz KAHVVFKVWSLKED-RISCZKNCSA-N 2 2 285.388 -0.674 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001015296166 657432644 /nfs/dbraw/zinc/43/26/44/657432644.db2.gz VPXGQAZOSYCWBC-NWDGAFQWSA-N 2 2 291.355 -0.729 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001015296166 657432648 /nfs/dbraw/zinc/43/26/48/657432648.db2.gz VPXGQAZOSYCWBC-NWDGAFQWSA-N 2 2 291.355 -0.729 20 0 CBADLP O=C(N1CC[NH2+][C@H](c2cn[nH]c2)C1)C12CC[NH+](CC1)C2 ZINC000913456279 657456149 /nfs/dbraw/zinc/45/61/49/657456149.db2.gz OVDJLSNDALYJKN-LBPRGKRZSA-N 2 2 275.356 -0.022 20 0 CBADLP C[NH+](C)CCn1nccc1C(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000913541591 657504132 /nfs/dbraw/zinc/50/41/32/657504132.db2.gz PYMNELHVFNJIKG-GFCCVEGCSA-N 2 2 295.387 -0.807 20 0 CBADLP C[NH+](C)CCn1nccc1C(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000913541591 657504140 /nfs/dbraw/zinc/50/41/40/657504140.db2.gz PYMNELHVFNJIKG-GFCCVEGCSA-N 2 2 295.387 -0.807 20 0 CBADLP C[N@@H+]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CC2)C[C@@H]1CO ZINC000913543665 657517565 /nfs/dbraw/zinc/51/75/65/657517565.db2.gz NICLJWUTZHARQZ-OLZOCXBDSA-N 2 2 267.373 -0.252 20 0 CBADLP C[N@H+]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CC2)C[C@@H]1CO ZINC000913543665 657517580 /nfs/dbraw/zinc/51/75/80/657517580.db2.gz NICLJWUTZHARQZ-OLZOCXBDSA-N 2 2 267.373 -0.252 20 0 CBADLP C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CC2)C[C@@H]1CO ZINC000913543665 657517596 /nfs/dbraw/zinc/51/75/96/657517596.db2.gz NICLJWUTZHARQZ-OLZOCXBDSA-N 2 2 267.373 -0.252 20 0 CBADLP C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CC2)C[C@@H]1CO ZINC000913543665 657517605 /nfs/dbraw/zinc/51/76/05/657517605.db2.gz NICLJWUTZHARQZ-OLZOCXBDSA-N 2 2 267.373 -0.252 20 0 CBADLP C[N@@H+]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CC2)C[C@H]1CO ZINC000913543667 657519793 /nfs/dbraw/zinc/51/97/93/657519793.db2.gz NICLJWUTZHARQZ-STQMWFEESA-N 2 2 267.373 -0.252 20 0 CBADLP C[N@H+]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CC2)C[C@H]1CO ZINC000913543667 657519803 /nfs/dbraw/zinc/51/98/03/657519803.db2.gz NICLJWUTZHARQZ-STQMWFEESA-N 2 2 267.373 -0.252 20 0 CBADLP C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CC2)C[C@H]1CO ZINC000913543667 657519813 /nfs/dbraw/zinc/51/98/13/657519813.db2.gz NICLJWUTZHARQZ-STQMWFEESA-N 2 2 267.373 -0.252 20 0 CBADLP C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CC2)C[C@H]1CO ZINC000913543667 657519826 /nfs/dbraw/zinc/51/98/26/657519826.db2.gz NICLJWUTZHARQZ-STQMWFEESA-N 2 2 267.373 -0.252 20 0 CBADLP C[N@@H+]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@@H]1CO ZINC000913545902 657526209 /nfs/dbraw/zinc/52/62/09/657526209.db2.gz CWTIKLRIJGNDIF-ZIAGYGMSSA-N 2 2 281.400 -0.004 20 0 CBADLP C[N@H+]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@@H]1CO ZINC000913545902 657526218 /nfs/dbraw/zinc/52/62/18/657526218.db2.gz CWTIKLRIJGNDIF-ZIAGYGMSSA-N 2 2 281.400 -0.004 20 0 CBADLP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CC[NH+](C)[C@H](CO)C1 ZINC000913547991 657535575 /nfs/dbraw/zinc/53/55/75/657535575.db2.gz AGBSQIWJGQYQNT-XQQFMLRXSA-N 2 2 269.389 -0.006 20 0 CBADLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CC[NH+](C)[C@H](CO)C1 ZINC000913547991 657535604 /nfs/dbraw/zinc/53/56/04/657535604.db2.gz AGBSQIWJGQYQNT-XQQFMLRXSA-N 2 2 269.389 -0.006 20 0 CBADLP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000913547991 657535636 /nfs/dbraw/zinc/53/56/36/657535636.db2.gz AGBSQIWJGQYQNT-XQQFMLRXSA-N 2 2 269.389 -0.006 20 0 CBADLP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000913547991 657535652 /nfs/dbraw/zinc/53/56/52/657535652.db2.gz AGBSQIWJGQYQNT-XQQFMLRXSA-N 2 2 269.389 -0.006 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001015901195 657598841 /nfs/dbraw/zinc/59/88/41/657598841.db2.gz ZULUFCDUXHJKLN-CHWSQXEVSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001015901195 657598844 /nfs/dbraw/zinc/59/88/44/657598844.db2.gz ZULUFCDUXHJKLN-CHWSQXEVSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@H](O)C[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001015995903 657626752 /nfs/dbraw/zinc/62/67/52/657626752.db2.gz BLMSALXWRJLXML-QWRGUYRKSA-N 2 2 266.345 -0.466 20 0 CBADLP C[C@H](O)C[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001015995903 657626756 /nfs/dbraw/zinc/62/67/56/657626756.db2.gz BLMSALXWRJLXML-QWRGUYRKSA-N 2 2 266.345 -0.466 20 0 CBADLP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001015998258 657628416 /nfs/dbraw/zinc/62/84/16/657628416.db2.gz NCRJVIPEYJIHAY-QWRGUYRKSA-N 2 2 268.361 -0.996 20 0 CBADLP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001015998258 657628427 /nfs/dbraw/zinc/62/84/27/657628427.db2.gz NCRJVIPEYJIHAY-QWRGUYRKSA-N 2 2 268.361 -0.996 20 0 CBADLP C[NH+]1CC[C@@H](CC(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)C1 ZINC001015998258 657628433 /nfs/dbraw/zinc/62/84/33/657628433.db2.gz NCRJVIPEYJIHAY-QWRGUYRKSA-N 2 2 268.361 -0.996 20 0 CBADLP C[NH+]1CC[C@@H](CC(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)C1 ZINC001015998258 657628444 /nfs/dbraw/zinc/62/84/44/657628444.db2.gz NCRJVIPEYJIHAY-QWRGUYRKSA-N 2 2 268.361 -0.996 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000914083023 657654403 /nfs/dbraw/zinc/65/44/03/657654403.db2.gz NDLPOZXYJGUMRL-NEPJUHHUSA-N 2 2 270.377 -0.290 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H]1CC[N@H+]1C ZINC000914083023 657654410 /nfs/dbraw/zinc/65/44/10/657654410.db2.gz NDLPOZXYJGUMRL-NEPJUHHUSA-N 2 2 270.377 -0.290 20 0 CBADLP O=C(C[NH+]1CCCC1)N[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001016250447 657671826 /nfs/dbraw/zinc/67/18/26/657671826.db2.gz CARYZVNMMKXCLZ-RYUDHWBXSA-N 2 2 280.372 -0.839 20 0 CBADLP O=C(C[NH+]1CCCC1)N[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001016250447 657671831 /nfs/dbraw/zinc/67/18/31/657671831.db2.gz CARYZVNMMKXCLZ-RYUDHWBXSA-N 2 2 280.372 -0.839 20 0 CBADLP CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001016250462 657672115 /nfs/dbraw/zinc/67/21/15/657672115.db2.gz CEJXWHWMAPCIPD-LBPRGKRZSA-N 2 2 282.388 -0.639 20 0 CBADLP CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001016250462 657672128 /nfs/dbraw/zinc/67/21/28/657672128.db2.gz CEJXWHWMAPCIPD-LBPRGKRZSA-N 2 2 282.388 -0.639 20 0 CBADLP O=C(C[NH+]1CCCC1)N[C@H]1CC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC001016251723 657672286 /nfs/dbraw/zinc/67/22/86/657672286.db2.gz NKGUWINJSYTLSY-QWHCGFSZSA-N 2 2 294.399 -0.449 20 0 CBADLP O=C(C[NH+]1CCCC1)N[C@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001016251723 657672291 /nfs/dbraw/zinc/67/22/91/657672291.db2.gz NKGUWINJSYTLSY-QWHCGFSZSA-N 2 2 294.399 -0.449 20 0 CBADLP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CC(=O)NC)C1 ZINC001016340715 657693956 /nfs/dbraw/zinc/69/39/56/657693956.db2.gz YYLNPOFHVFLESM-STQMWFEESA-N 2 2 296.415 -0.203 20 0 CBADLP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CC(=O)NC)C1 ZINC001016340715 657693966 /nfs/dbraw/zinc/69/39/66/657693966.db2.gz YYLNPOFHVFLESM-STQMWFEESA-N 2 2 296.415 -0.203 20 0 CBADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC(=O)NC)C1 ZINC001016340715 657693972 /nfs/dbraw/zinc/69/39/72/657693972.db2.gz YYLNPOFHVFLESM-STQMWFEESA-N 2 2 296.415 -0.203 20 0 CBADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001016340715 657693978 /nfs/dbraw/zinc/69/39/78/657693978.db2.gz YYLNPOFHVFLESM-STQMWFEESA-N 2 2 296.415 -0.203 20 0 CBADLP C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001016398722 657701121 /nfs/dbraw/zinc/70/11/21/657701121.db2.gz WIGZJSJGSNKPDB-RYUDHWBXSA-N 2 2 293.371 -0.450 20 0 CBADLP C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001016398722 657701125 /nfs/dbraw/zinc/70/11/25/657701125.db2.gz WIGZJSJGSNKPDB-RYUDHWBXSA-N 2 2 293.371 -0.450 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[N@H+](CCn2cccn2)C1 ZINC001016398505 657702594 /nfs/dbraw/zinc/70/25/94/657702594.db2.gz TUOLOBQRTGBAJI-ZDUSSCGKSA-N 2 2 288.355 -0.030 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[N@@H+](CCn2cccn2)C1 ZINC001016398505 657702610 /nfs/dbraw/zinc/70/26/10/657702610.db2.gz TUOLOBQRTGBAJI-ZDUSSCGKSA-N 2 2 288.355 -0.030 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CC12CC[NH+](CCO)CC2 ZINC001016850392 657736463 /nfs/dbraw/zinc/73/64/63/657736463.db2.gz IHEMROMQLLJAOB-GFCCVEGCSA-N 2 2 278.356 -0.085 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CC12CC[NH+](CCO)CC2 ZINC001016902688 657738122 /nfs/dbraw/zinc/73/81/22/657738122.db2.gz MZMCCMUITRWMIS-LLVKDONJSA-N 2 2 278.356 -0.085 20 0 CBADLP C[N@@H+]1CC[C@H]1CNC(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000916881990 657790552 /nfs/dbraw/zinc/79/05/52/657790552.db2.gz AKXRLDGEYWNENJ-WDEREUQCSA-N 2 2 256.350 -0.680 20 0 CBADLP C[N@H+]1CC[C@H]1CNC(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000916881990 657790559 /nfs/dbraw/zinc/79/05/59/657790559.db2.gz AKXRLDGEYWNENJ-WDEREUQCSA-N 2 2 256.350 -0.680 20 0 CBADLP C[NH+]1CC[C@H]1CNC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000916881990 657790563 /nfs/dbraw/zinc/79/05/63/657790563.db2.gz AKXRLDGEYWNENJ-WDEREUQCSA-N 2 2 256.350 -0.680 20 0 CBADLP C[NH+]1CC[C@H]1CNC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000916881990 657790576 /nfs/dbraw/zinc/79/05/76/657790576.db2.gz AKXRLDGEYWNENJ-WDEREUQCSA-N 2 2 256.350 -0.680 20 0 CBADLP Cc1nnc(C[NH2+][C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)[nH]1 ZINC001018634513 657830214 /nfs/dbraw/zinc/83/02/14/657830214.db2.gz IMIGEHXMOPTWEQ-NWDGAFQWSA-N 2 2 292.387 -0.102 20 0 CBADLP Cc1nnc(C[NH2+][C@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)[nH]1 ZINC001018634513 657830217 /nfs/dbraw/zinc/83/02/17/657830217.db2.gz IMIGEHXMOPTWEQ-NWDGAFQWSA-N 2 2 292.387 -0.102 20 0 CBADLP Cc1cn(C(C)(C)C(=O)N2CC[C@H]([NH2+]CC(N)=O)C2)c[nH+]1 ZINC001019030510 657858960 /nfs/dbraw/zinc/85/89/60/657858960.db2.gz LLOGODYJPUXSDJ-NSHDSACASA-N 2 2 293.371 -0.398 20 0 CBADLP C[C@@H]([NH2+][C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1)C(N)=O ZINC001019181756 657869643 /nfs/dbraw/zinc/86/96/43/657869643.db2.gz UZOWXPMIFKSEJZ-MNOVXSKESA-N 2 2 293.371 -0.583 20 0 CBADLP CC[C@@H]([NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1)C(N)=O ZINC001019214165 657871408 /nfs/dbraw/zinc/87/14/08/657871408.db2.gz NJEQEUGQZBDIJA-NWDGAFQWSA-N 2 2 293.371 -0.272 20 0 CBADLP C[C@H]([NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1)C(N)=O ZINC001019212861 657871609 /nfs/dbraw/zinc/87/16/09/657871609.db2.gz QIUJDSLDGGKQBL-QWRGUYRKSA-N 2 2 279.344 -0.663 20 0 CBADLP CN(C)c1[nH+]cc(CNC(=O)NC[C@@H]2CC[N@@H+]2C)n1C ZINC000921364679 657894827 /nfs/dbraw/zinc/89/48/27/657894827.db2.gz PJQLULCISNUSBD-JTQLQIEISA-N 2 2 280.376 -0.011 20 0 CBADLP CN(C)c1[nH+]cc(CNC(=O)NC[C@@H]2CC[N@H+]2C)n1C ZINC000921364679 657894832 /nfs/dbraw/zinc/89/48/32/657894832.db2.gz PJQLULCISNUSBD-JTQLQIEISA-N 2 2 280.376 -0.011 20 0 CBADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H]([NH2+]CCO)C1 ZINC001019493981 657899661 /nfs/dbraw/zinc/89/96/61/657899661.db2.gz UVVLTDCJOGCBFU-QWRGUYRKSA-N 2 2 266.345 -0.229 20 0 CBADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H]([NH2+]CCO)C1 ZINC001019493981 657899662 /nfs/dbraw/zinc/89/96/62/657899662.db2.gz UVVLTDCJOGCBFU-QWRGUYRKSA-N 2 2 266.345 -0.229 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001019564342 657912475 /nfs/dbraw/zinc/91/24/75/657912475.db2.gz LFGSCSGXSYLPQB-QWRGUYRKSA-N 2 2 291.355 -0.579 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001019564343 657913434 /nfs/dbraw/zinc/91/34/34/657913434.db2.gz LFGSCSGXSYLPQB-WDEREUQCSA-N 2 2 291.355 -0.579 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001019707832 657931803 /nfs/dbraw/zinc/93/18/03/657931803.db2.gz YGTUMPNKMOGBEZ-UWVGGRQHSA-N 2 2 279.344 -0.675 20 0 CBADLP CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H](OC)C[NH+]1C ZINC000922159532 658013275 /nfs/dbraw/zinc/01/32/75/658013275.db2.gz ONFMKEIWFUDQSM-WOPDTQHZSA-N 2 2 255.362 -0.084 20 0 CBADLP CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H](OC)C[NH+]1C ZINC000922159532 658013282 /nfs/dbraw/zinc/01/32/82/658013282.db2.gz ONFMKEIWFUDQSM-WOPDTQHZSA-N 2 2 255.362 -0.084 20 0 CBADLP CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H](OC)C[N@@H+]1C ZINC000922159532 658013291 /nfs/dbraw/zinc/01/32/91/658013291.db2.gz ONFMKEIWFUDQSM-WOPDTQHZSA-N 2 2 255.362 -0.084 20 0 CBADLP CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H](OC)C[N@H+]1C ZINC000922159532 658013300 /nfs/dbraw/zinc/01/33/00/658013300.db2.gz ONFMKEIWFUDQSM-WOPDTQHZSA-N 2 2 255.362 -0.084 20 0 CBADLP O=C(N[C@H]1C[C@H]([NH2+]CCO)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001020257020 658031739 /nfs/dbraw/zinc/03/17/39/658031739.db2.gz PFEGQZOGIJFKKP-GWOFURMSSA-N 2 2 264.329 -0.258 20 0 CBADLP O=C(N[C@H]1C[C@H]([NH2+]CCO)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001020257020 658031745 /nfs/dbraw/zinc/03/17/45/658031745.db2.gz PFEGQZOGIJFKKP-GWOFURMSSA-N 2 2 264.329 -0.258 20 0 CBADLP NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001020308566 658037514 /nfs/dbraw/zinc/03/75/14/658037514.db2.gz INHZCYGQIVZZCI-DCAQKATOSA-N 2 2 291.355 -0.832 20 0 CBADLP CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1)C(N)=O ZINC001020637329 658081870 /nfs/dbraw/zinc/08/18/70/658081870.db2.gz RFVWFJPHRZEWMM-QXEWZRGKSA-N 2 2 279.344 -0.547 20 0 CBADLP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1)C(N)=O ZINC001020635457 658082216 /nfs/dbraw/zinc/08/22/16/658082216.db2.gz YCEPLJMEPNQATR-IWSPIJDZSA-N 2 2 265.317 -0.937 20 0 CBADLP C[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001020819393 658095366 /nfs/dbraw/zinc/09/53/66/658095366.db2.gz XKGPPKAQYMMOLD-OPRDCNLKSA-N 2 2 252.318 -0.430 20 0 CBADLP Cn1nncc1C[NH2+][C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001020818784 658096427 /nfs/dbraw/zinc/09/64/27/658096427.db2.gz CUOHOCIPGFJOAI-MGCOHNPYSA-N 2 2 289.343 -0.482 20 0 CBADLP C[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001021126785 658153193 /nfs/dbraw/zinc/15/31/93/658153193.db2.gz WVDCIKILZPGNFS-DCAQKATOSA-N 2 2 252.318 -0.499 20 0 CBADLP [NH3+][C@@H]1CCC[N@H+](C[C@@H](O)COC[C@@H]2CCCO2)C1 ZINC000923282507 658192487 /nfs/dbraw/zinc/19/24/87/658192487.db2.gz STOWHEYKZFIKJF-UPJWGTAASA-N 2 2 258.362 -0.034 20 0 CBADLP [NH3+][C@@H]1CCC[N@@H+](C[C@@H](O)COC[C@@H]2CCCO2)C1 ZINC000923282507 658192514 /nfs/dbraw/zinc/19/25/14/658192514.db2.gz STOWHEYKZFIKJF-UPJWGTAASA-N 2 2 258.362 -0.034 20 0 CBADLP [NH3+]C[C@H]1CCC[N@@H+]1C[C@H](O)COC1CCOCC1 ZINC000923292948 658194140 /nfs/dbraw/zinc/19/41/40/658194140.db2.gz LQKVWTCXCBLKLP-NEPJUHHUSA-N 2 2 258.362 -0.034 20 0 CBADLP [NH3+]C[C@H]1CCC[N@H+]1C[C@H](O)COC1CCOCC1 ZINC000923292948 658194149 /nfs/dbraw/zinc/19/41/49/658194149.db2.gz LQKVWTCXCBLKLP-NEPJUHHUSA-N 2 2 258.362 -0.034 20 0 CBADLP [NH3+]C[C@@H]1CCC[N@@H+]1C[C@@H](O)COC[C@H]1CCCO1 ZINC000923291619 658195793 /nfs/dbraw/zinc/19/57/93/658195793.db2.gz DRVRNLICTDMSKX-YNEHKIRRSA-N 2 2 258.362 -0.034 20 0 CBADLP [NH3+]C[C@@H]1CCC[N@H+]1C[C@@H](O)COC[C@H]1CCCO1 ZINC000923291619 658195808 /nfs/dbraw/zinc/19/58/08/658195808.db2.gz DRVRNLICTDMSKX-YNEHKIRRSA-N 2 2 258.362 -0.034 20 0 CBADLP O=C1C[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CCN1C1CC1 ZINC000923315297 658209767 /nfs/dbraw/zinc/20/97/67/658209767.db2.gz FYTYMMWDORDOIR-GFCCVEGCSA-N 2 2 265.357 -0.329 20 0 CBADLP O=C1C[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CCN1C1CC1 ZINC000923315297 658209787 /nfs/dbraw/zinc/20/97/87/658209787.db2.gz FYTYMMWDORDOIR-GFCCVEGCSA-N 2 2 265.357 -0.329 20 0 CBADLP CCOC[C@H](O)C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000923331720 658217254 /nfs/dbraw/zinc/21/72/54/658217254.db2.gz FQJDQMNVWSMCKM-CHWSQXEVSA-N 2 2 285.388 -0.720 20 0 CBADLP CCOC[C@H](O)C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000923331720 658217276 /nfs/dbraw/zinc/21/72/76/658217276.db2.gz FQJDQMNVWSMCKM-CHWSQXEVSA-N 2 2 285.388 -0.720 20 0 CBADLP CCOCC[C@H](O)C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000923334273 658221403 /nfs/dbraw/zinc/22/14/03/658221403.db2.gz VHBRKDSBPUSPHZ-KGLIPLIRSA-N 2 2 299.415 -0.330 20 0 CBADLP CCOCC[C@H](O)C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000923334273 658221440 /nfs/dbraw/zinc/22/14/40/658221440.db2.gz VHBRKDSBPUSPHZ-KGLIPLIRSA-N 2 2 299.415 -0.330 20 0 CBADLP CN1CC(=O)N(CC[N@H+](C)[C@@H](C[NH3+])C2CC2)C1=O ZINC000923358284 658227821 /nfs/dbraw/zinc/22/78/21/658227821.db2.gz YCLQZVXIGRBXMP-JTQLQIEISA-N 2 2 254.334 -0.451 20 0 CBADLP CN1CC(=O)N(CC[N@@H+](C)[C@@H](C[NH3+])C2CC2)C1=O ZINC000923358284 658227829 /nfs/dbraw/zinc/22/78/29/658227829.db2.gz YCLQZVXIGRBXMP-JTQLQIEISA-N 2 2 254.334 -0.451 20 0 CBADLP C[C@@H]1C[N@H+](C[C@H](O)COC[C@H]2CCCO2)C[C@@H]1[NH3+] ZINC000923365890 658235280 /nfs/dbraw/zinc/23/52/80/658235280.db2.gz HSWCLYSFUZSWME-XQHKEYJVSA-N 2 2 258.362 -0.178 20 0 CBADLP C[C@@H]1C[N@@H+](C[C@H](O)COC[C@H]2CCCO2)C[C@@H]1[NH3+] ZINC000923365890 658235302 /nfs/dbraw/zinc/23/53/02/658235302.db2.gz HSWCLYSFUZSWME-XQHKEYJVSA-N 2 2 258.362 -0.178 20 0 CBADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1C[C@@H](O)COC[C@H]1CCCO1 ZINC000923368211 658235522 /nfs/dbraw/zinc/23/55/22/658235522.db2.gz NVLKTRLGMXXABZ-LOWDOPEQSA-N 2 2 258.362 -0.036 20 0 CBADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1C[C@@H](O)COC[C@H]1CCCO1 ZINC000923368211 658235540 /nfs/dbraw/zinc/23/55/40/658235540.db2.gz NVLKTRLGMXXABZ-LOWDOPEQSA-N 2 2 258.362 -0.036 20 0 CBADLP Cc1nccc(N2CC[NH+]([C@H]3C[C@H]([NH3+])C[C@@H]3O)CC2)n1 ZINC000923373835 658242760 /nfs/dbraw/zinc/24/27/60/658242760.db2.gz UFPJZFQYGLSGHT-AVGNSLFASA-N 2 2 277.372 -0.242 20 0 CBADLP COC(=O)C[C@@H]1C[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC000923373766 658242837 /nfs/dbraw/zinc/24/28/37/658242837.db2.gz QZJMWKWFMOXUFA-VXGBXAGGSA-N 2 2 284.356 -0.371 20 0 CBADLP COC(=O)C[C@@H]1C[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC000923373766 658242861 /nfs/dbraw/zinc/24/28/61/658242861.db2.gz QZJMWKWFMOXUFA-VXGBXAGGSA-N 2 2 284.356 -0.371 20 0 CBADLP COC(=O)[C@H]1C[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC000923369318 658243262 /nfs/dbraw/zinc/24/32/62/658243262.db2.gz IJWSWUVXWHREFV-WDEREUQCSA-N 2 2 270.329 -0.761 20 0 CBADLP COC(=O)[C@H]1C[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC000923369318 658243288 /nfs/dbraw/zinc/24/32/88/658243288.db2.gz IJWSWUVXWHREFV-WDEREUQCSA-N 2 2 270.329 -0.761 20 0 CBADLP Cn1cc(C[N@H+](C)C[C@@H]2CC3(C[NH2+]C3)CO2)nn1 ZINC000923391175 658255680 /nfs/dbraw/zinc/25/56/80/658255680.db2.gz WMCQWZJCJQPSBH-NSHDSACASA-N 2 2 251.334 -0.375 20 0 CBADLP Cn1cc(C[N@@H+](C)C[C@@H]2CC3(C[NH2+]C3)CO2)nn1 ZINC000923391175 658255711 /nfs/dbraw/zinc/25/57/11/658255711.db2.gz WMCQWZJCJQPSBH-NSHDSACASA-N 2 2 251.334 -0.375 20 0 CBADLP COC[C@@H]1CC[C@H]([C@@H]2COCC[N@@H+]2CCOCC[NH3+])O1 ZINC000923553860 658321969 /nfs/dbraw/zinc/32/19/69/658321969.db2.gz KMVBOZRRDBWTMR-MELADBBJSA-N 2 2 288.388 -0.144 20 0 CBADLP COC[C@@H]1CC[C@H]([C@@H]2COCC[N@H+]2CCOCC[NH3+])O1 ZINC000923553860 658321979 /nfs/dbraw/zinc/32/19/79/658321979.db2.gz KMVBOZRRDBWTMR-MELADBBJSA-N 2 2 288.388 -0.144 20 0 CBADLP O=S(=O)(NC[C@@H]1CC[NH2+]CC1(F)F)[C@H]1CCC[NH2+]C1 ZINC000923645131 658373777 /nfs/dbraw/zinc/37/37/77/658373777.db2.gz KZPPLGASKDJCNG-UWVGGRQHSA-N 2 2 297.371 -0.097 20 0 CBADLP C[NH+](C)C[C@@H]1NC(=O)N(CCCn2cc[nH+]c2)C1=O ZINC000924431155 658599902 /nfs/dbraw/zinc/59/99/02/658599902.db2.gz ZKVFHPKBPOMFHC-JTQLQIEISA-N 2 2 265.317 -0.245 20 0 CBADLP C[NH+](C)C[C@@H]1NC(=O)N(CCn2cc[nH+]c2)C1=O ZINC000924442606 658600838 /nfs/dbraw/zinc/60/08/38/658600838.db2.gz VPMCVKOSNMALAF-VIFPVBQESA-N 2 2 251.290 -0.635 20 0 CBADLP C[C@@H](CN1C(=O)N[C@@H](C[NH+](C)C)C1=O)[NH+]1CCOCC1 ZINC000924472242 658603232 /nfs/dbraw/zinc/60/32/32/658603232.db2.gz MDQVMCFVRGKLNR-QWRGUYRKSA-N 2 2 284.360 -0.811 20 0 CBADLP CC[N@@H+]1CCO[C@H](CN2C(=O)N[C@H](C[NH+](C)C)C2=O)C1 ZINC000924606104 658620541 /nfs/dbraw/zinc/62/05/41/658620541.db2.gz AOZHOAZSNJTASD-WDEREUQCSA-N 2 2 284.360 -0.811 20 0 CBADLP CC[N@H+]1CCO[C@H](CN2C(=O)N[C@H](C[NH+](C)C)C2=O)C1 ZINC000924606104 658620551 /nfs/dbraw/zinc/62/05/51/658620551.db2.gz AOZHOAZSNJTASD-WDEREUQCSA-N 2 2 284.360 -0.811 20 0 CBADLP CN(C)c1[nH+]cc(CN2C(=O)N[C@H](C[NH+](C)C)C2=O)n1C ZINC000924620391 658625988 /nfs/dbraw/zinc/62/59/88/658625988.db2.gz MOUQSCYXNPRJSY-SNVBAGLBSA-N 2 2 294.359 -0.532 20 0 CBADLP CC1(C)CNC(=O)[C@H]1[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000924754533 658636485 /nfs/dbraw/zinc/63/64/85/658636485.db2.gz GIPCKLPNFRUPIL-NWDGAFQWSA-N 2 2 269.389 -0.053 20 0 CBADLP Cn1c[nH+]c(CCN2C(=O)N[C@H](C[NH+](C)C)C2=O)c1 ZINC000924922772 658660179 /nfs/dbraw/zinc/66/01/79/658660179.db2.gz CZBLOBDTPJFGIN-SNVBAGLBSA-N 2 2 265.317 -0.555 20 0 CBADLP C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1cnn(C)n1 ZINC000924946426 658669357 /nfs/dbraw/zinc/66/93/57/658669357.db2.gz SJFXERHXEPQGEQ-NSHDSACASA-N 2 2 280.376 -0.370 20 0 CBADLP C/C(=C\C(=O)NC[C@@H]1C[C@@H](O)C[N@H+]1C)C[NH+]1CCOCC1 ZINC000924976491 658678843 /nfs/dbraw/zinc/67/88/43/658678843.db2.gz MBPROGUUDQVOKR-NAICIEFVSA-N 2 2 297.399 -0.554 20 0 CBADLP C/C(=C\C(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1C)C[NH+]1CCOCC1 ZINC000924976491 658678865 /nfs/dbraw/zinc/67/88/65/658678865.db2.gz MBPROGUUDQVOKR-NAICIEFVSA-N 2 2 297.399 -0.554 20 0 CBADLP C[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1[nH]cc[nH+]1 ZINC000962145951 658845017 /nfs/dbraw/zinc/84/50/17/658845017.db2.gz GPNZLMNTBOWFRQ-QISWUMQESA-N 2 2 264.329 -0.621 20 0 CBADLP C[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1[nH]cc[nH+]1 ZINC000962145951 658845018 /nfs/dbraw/zinc/84/50/18/658845018.db2.gz GPNZLMNTBOWFRQ-QISWUMQESA-N 2 2 264.329 -0.621 20 0 CBADLP C[N@@H+]1CC[C@@H]1CNC(=O)N1CC[C@H]2OCC[NH+](C)[C@H]2C1 ZINC000925422901 658845319 /nfs/dbraw/zinc/84/53/19/658845319.db2.gz XIGFJEKPJIUAFK-FRRDWIJNSA-N 2 2 282.388 -0.195 20 0 CBADLP C[N@H+]1CC[C@@H]1CNC(=O)N1CC[C@H]2OCC[NH+](C)[C@H]2C1 ZINC000925422901 658845323 /nfs/dbraw/zinc/84/53/23/658845323.db2.gz XIGFJEKPJIUAFK-FRRDWIJNSA-N 2 2 282.388 -0.195 20 0 CBADLP C[NH+]1CC[C@@H]1CNC(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000925422901 658845327 /nfs/dbraw/zinc/84/53/27/658845327.db2.gz XIGFJEKPJIUAFK-FRRDWIJNSA-N 2 2 282.388 -0.195 20 0 CBADLP C[NH+]1CC[C@@H]1CNC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000925422901 658845333 /nfs/dbraw/zinc/84/53/33/658845333.db2.gz XIGFJEKPJIUAFK-FRRDWIJNSA-N 2 2 282.388 -0.195 20 0 CBADLP C[C@@H]1C[NH+](CCO)[C@H](C)CN1C(=O)NC[C@H]1CC[N@H+]1C ZINC000925426269 658846961 /nfs/dbraw/zinc/84/69/61/658846961.db2.gz MHRRLFPNEGYCNQ-JHJVBQTASA-N 2 2 284.404 -0.213 20 0 CBADLP CN(C(=O)NC[C@H]1CC[NH+]1C)[C@@H]1CC[N@@H+]2CCO[C@H]1C2 ZINC000925425954 658847333 /nfs/dbraw/zinc/84/73/33/658847333.db2.gz XDHHFVASCYGAIU-UPJWGTAASA-N 2 2 282.388 -0.195 20 0 CBADLP CN(C(=O)NC[C@H]1CC[N@@H+]1C)[C@@H]1CC[NH+]2CCO[C@H]1C2 ZINC000925425954 658847341 /nfs/dbraw/zinc/84/73/41/658847341.db2.gz XDHHFVASCYGAIU-UPJWGTAASA-N 2 2 282.388 -0.195 20 0 CBADLP CN(C(=O)NC[C@H]1CC[N@H+]1C)[C@@H]1CC[NH+]2CCO[C@H]1C2 ZINC000925425954 658847343 /nfs/dbraw/zinc/84/73/43/658847343.db2.gz XDHHFVASCYGAIU-UPJWGTAASA-N 2 2 282.388 -0.195 20 0 CBADLP C[NH+]1CC[C@@H]1CNC(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000925426679 658848184 /nfs/dbraw/zinc/84/81/84/658848184.db2.gz WVHNHSMNDMWWPU-GFCCVEGCSA-N 2 2 284.404 -0.211 20 0 CBADLP CN(C[C@@H]1C[N@H+](C)CCO1)C(=O)NC[C@@H]1CC[NH+]1C ZINC000925429811 658848676 /nfs/dbraw/zinc/84/86/76/658848676.db2.gz QDPUXDHPGBIYKN-RYUDHWBXSA-N 2 2 270.377 -0.338 20 0 CBADLP CN(C[C@@H]1C[N@@H+](C)CCO1)C(=O)NC[C@@H]1CC[NH+]1C ZINC000925429811 658848679 /nfs/dbraw/zinc/84/86/79/658848679.db2.gz QDPUXDHPGBIYKN-RYUDHWBXSA-N 2 2 270.377 -0.338 20 0 CBADLP CN(C[C@@H]1C[NH+](C)CCO1)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000925429811 658848690 /nfs/dbraw/zinc/84/86/90/658848690.db2.gz QDPUXDHPGBIYKN-RYUDHWBXSA-N 2 2 270.377 -0.338 20 0 CBADLP CN(C[C@@H]1C[NH+](C)CCO1)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000925429811 658848691 /nfs/dbraw/zinc/84/86/91/658848691.db2.gz QDPUXDHPGBIYKN-RYUDHWBXSA-N 2 2 270.377 -0.338 20 0 CBADLP C[N@@H+]1CC[C@@H]1CNC(=O)NCC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000925429840 658848977 /nfs/dbraw/zinc/84/89/77/658848977.db2.gz JQBGRDOVMPHQMR-UPJWGTAASA-N 2 2 282.388 -0.147 20 0 CBADLP C[N@H+]1CC[C@@H]1CNC(=O)NCC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000925429840 658848979 /nfs/dbraw/zinc/84/89/79/658848979.db2.gz JQBGRDOVMPHQMR-UPJWGTAASA-N 2 2 282.388 -0.147 20 0 CBADLP C[NH+]1CC[C@@H]1CNC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000925429840 658848985 /nfs/dbraw/zinc/84/89/85/658848985.db2.gz JQBGRDOVMPHQMR-UPJWGTAASA-N 2 2 282.388 -0.147 20 0 CBADLP C[NH+]1CC[C@@H]1CNC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000925429840 658848989 /nfs/dbraw/zinc/84/89/89/658848989.db2.gz JQBGRDOVMPHQMR-UPJWGTAASA-N 2 2 282.388 -0.147 20 0 CBADLP C[C@@H]1COC[C@@H]1[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000925448809 658855857 /nfs/dbraw/zinc/85/58/57/658855857.db2.gz INPLCBOGJSMCIK-RDBSUJKOSA-N 2 2 297.399 -0.456 20 0 CBADLP C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CC1 ZINC000925488446 658856599 /nfs/dbraw/zinc/85/65/99/658856599.db2.gz CVAUUTOAAVZYHY-RDUHTLEXSA-N 3 2 292.427 -0.264 20 0 CBADLP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H]2CNCCOC2)CC1 ZINC000925546785 658857780 /nfs/dbraw/zinc/85/77/80/658857780.db2.gz KPTLNDBEKLUQCN-UONOGXRCSA-N 2 2 270.421 -0.410 20 0 CBADLP CC(=O)N1CCN(CC[NH2+][C@@H]2CC[NH2+]C2(C)C)CC1 ZINC000925545939 658858259 /nfs/dbraw/zinc/85/82/59/658858259.db2.gz DPLSDXMSONTFDS-CYBMUJFWSA-N 2 2 268.405 -0.119 20 0 CBADLP COC(=O)N1CCC([NH2+][C@H]2C[NH2+]CCOC2)CC1 ZINC000925569148 658859970 /nfs/dbraw/zinc/85/99/70/658859970.db2.gz RAUUJLVNBXSQMK-NSHDSACASA-N 2 2 257.334 -0.205 20 0 CBADLP OCC[C@H]([NH2+][C@H]1C[NH2+]CCOC1)C1CCOCC1 ZINC000925639829 658863282 /nfs/dbraw/zinc/86/32/82/658863282.db2.gz NLLIBJSMULFGEN-STQMWFEESA-N 2 2 258.362 -0.258 20 0 CBADLP OCC[C@@H]([NH2+][C@H]1C[NH2+]CCOC1)C1CCOCC1 ZINC000925639827 658863667 /nfs/dbraw/zinc/86/36/67/658863667.db2.gz NLLIBJSMULFGEN-QWHCGFSZSA-N 2 2 258.362 -0.258 20 0 CBADLP C(N[C@H]1C[NH2+]CCOC1)C1([NH+]2CCOCC2)CCOCC1 ZINC000925690997 658866181 /nfs/dbraw/zinc/86/61/81/658866181.db2.gz HVWDVDXDKYRREO-AWEZNQCLSA-N 2 2 299.415 -0.554 20 0 CBADLP COCC1(C[NH2+][C@H]2C[NH2+]CCOC2)CC[NH2+]CC1 ZINC000925701040 658867162 /nfs/dbraw/zinc/86/71/62/658867162.db2.gz UVHXHWLVWMRHKK-LBPRGKRZSA-N 3 2 257.378 -0.419 20 0 CBADLP COC(=O)CCNC(=O)CC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925719330 658867748 /nfs/dbraw/zinc/86/77/48/658867748.db2.gz RIINGYMLDLNJBD-LLVKDONJSA-N 2 2 283.372 -0.070 20 0 CBADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@]12COCCN1C(=O)COC2 ZINC000925728891 658868891 /nfs/dbraw/zinc/86/88/91/658868891.db2.gz XRYKEYSOSUALHY-SGMGOOAPSA-N 2 2 283.372 -0.656 20 0 CBADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCN1CCNC1=O ZINC000925778658 658870840 /nfs/dbraw/zinc/87/08/40/658870840.db2.gz WHRXQXKMKRMAJS-MNOVXSKESA-N 2 2 256.350 -0.632 20 0 CBADLP Cn1cc(NC(=O)NCC[NH+]2CCC([NH3+])CC2)cn1 ZINC000925917658 658876221 /nfs/dbraw/zinc/87/62/21/658876221.db2.gz IUJABVXEZDRSBV-UHFFFAOYSA-N 2 2 266.349 -0.035 20 0 CBADLP NC(=O)C[NH2+]C1CC2(CC(NC(=O)Cc3c[nH]c[nH+]3)C2)C1 ZINC000965280516 658880795 /nfs/dbraw/zinc/88/07/95/658880795.db2.gz JSXXMSHDFQUTAS-UHFFFAOYSA-N 2 2 291.355 -0.546 20 0 CBADLP CC1(C)CNC(=O)[C@H]1[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000926748276 658912885 /nfs/dbraw/zinc/91/28/85/658912885.db2.gz DYDIJIUOQBJMSN-WDEREUQCSA-N 2 2 282.388 -0.560 20 0 CBADLP CC1(C)CNC(=O)[C@H]1[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000926748276 658912886 /nfs/dbraw/zinc/91/28/86/658912886.db2.gz DYDIJIUOQBJMSN-WDEREUQCSA-N 2 2 282.388 -0.560 20 0 CBADLP Cc1nnc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)[nH]1 ZINC000967924452 658916303 /nfs/dbraw/zinc/91/63/03/658916303.db2.gz IMIGEHXMOPTWEQ-NEPJUHHUSA-N 2 2 292.387 -0.102 20 0 CBADLP Cc1nnc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)[nH]1 ZINC000967924452 658916306 /nfs/dbraw/zinc/91/63/06/658916306.db2.gz IMIGEHXMOPTWEQ-NEPJUHHUSA-N 2 2 292.387 -0.102 20 0 CBADLP CCO[C@H](C[NH2+][C@H]1C(=O)NCC12CCOCC2)C[NH+](C)C ZINC000926960527 658919116 /nfs/dbraw/zinc/91/91/16/658919116.db2.gz MJMVYXRZWGZTLL-OLZOCXBDSA-N 2 2 299.415 -0.162 20 0 CBADLP C[C@@H]1CC[N@H+](CCO)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000968544135 658931355 /nfs/dbraw/zinc/93/13/55/658931355.db2.gz IDGHBXDHRSBFMI-DGCLKSJQSA-N 2 2 280.372 -0.219 20 0 CBADLP C[C@@H]1CC[N@@H+](CCO)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000968544135 658931361 /nfs/dbraw/zinc/93/13/61/658931361.db2.gz IDGHBXDHRSBFMI-DGCLKSJQSA-N 2 2 280.372 -0.219 20 0 CBADLP C[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000968535284 658931376 /nfs/dbraw/zinc/93/13/76/658931376.db2.gz ZEWCEQKIVKQJTI-GHMZBOCLSA-N 2 2 266.345 -0.086 20 0 CBADLP C[C@@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C1C[NH+](CCCO)C1 ZINC000969443112 658990022 /nfs/dbraw/zinc/99/00/22/658990022.db2.gz XPBZFBOPUSVFCX-YPMHNXCESA-N 2 2 285.388 -0.864 20 0 CBADLP C[C@@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C1C[NH+](CCCO)C1 ZINC000969443112 658990030 /nfs/dbraw/zinc/99/00/30/658990030.db2.gz XPBZFBOPUSVFCX-YPMHNXCESA-N 2 2 285.388 -0.864 20 0 CBADLP C[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000969518882 658999281 /nfs/dbraw/zinc/99/92/81/658999281.db2.gz ZSOOUGIRVQFYMZ-VXGBXAGGSA-N 2 2 266.345 -0.156 20 0 CBADLP C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C1C[NH+](CC(N)=O)C1 ZINC000969975494 659027214 /nfs/dbraw/zinc/02/72/14/659027214.db2.gz KMLAKHDUFBSZIU-CMPLNLGQSA-N 2 2 282.388 -0.608 20 0 CBADLP C[C@H](NC(=O)[C@H]1CCCC[N@H+]1C)C1C[NH+](CC(N)=O)C1 ZINC000969975494 659027220 /nfs/dbraw/zinc/02/72/20/659027220.db2.gz KMLAKHDUFBSZIU-CMPLNLGQSA-N 2 2 282.388 -0.608 20 0 CBADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC000970012495 659029281 /nfs/dbraw/zinc/02/92/81/659029281.db2.gz AVIOYMLZKRSXEG-GMTAPVOTSA-N 2 2 291.355 -0.801 20 0 CBADLP C[C@@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)C1C[NH+](CCO)C1 ZINC000969998493 659029316 /nfs/dbraw/zinc/02/93/16/659029316.db2.gz UEOHPKWMMWWZKR-VXGBXAGGSA-N 2 2 292.383 -0.126 20 0 CBADLP C[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000970103979 659035943 /nfs/dbraw/zinc/03/59/43/659035943.db2.gz WOLMSPXKUPVWDA-NXEZZACHSA-N 2 2 252.318 -0.477 20 0 CBADLP C[N@@H+]1CC[C@@H]1CNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000928556198 659038155 /nfs/dbraw/zinc/03/81/55/659038155.db2.gz OUNAZMTYGQYTCQ-ZZKXABKFSA-N 2 2 253.346 -0.305 20 0 CBADLP C[N@H+]1CC[C@@H]1CNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000928556198 659038164 /nfs/dbraw/zinc/03/81/64/659038164.db2.gz OUNAZMTYGQYTCQ-ZZKXABKFSA-N 2 2 253.346 -0.305 20 0 CBADLP CCN1CC[NH+](CCC(=O)NC[C@H]2CC[N@@H+]2C)CC1 ZINC000928563871 659044751 /nfs/dbraw/zinc/04/47/51/659044751.db2.gz OMSBMIPQHJJWPU-CYBMUJFWSA-N 2 2 268.405 -0.166 20 0 CBADLP CCN1CC[NH+](CCC(=O)NC[C@H]2CC[N@H+]2C)CC1 ZINC000928563871 659044755 /nfs/dbraw/zinc/04/47/55/659044755.db2.gz OMSBMIPQHJJWPU-CYBMUJFWSA-N 2 2 268.405 -0.166 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]([NH2+]Cc2cnon2)C1 ZINC000970724642 659070081 /nfs/dbraw/zinc/07/00/81/659070081.db2.gz TYDHPMFABYLEDY-LLVKDONJSA-N 2 2 290.327 -0.035 20 0 CBADLP C[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000970855940 659072379 /nfs/dbraw/zinc/07/23/79/659072379.db2.gz BAZHVLZANHDDIX-GHMZBOCLSA-N 2 2 252.318 -0.546 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]([N@H+](C)CC(N)=O)C1 ZINC000971950193 659100946 /nfs/dbraw/zinc/10/09/46/659100946.db2.gz RFQMSDVMRZITAO-LLVKDONJSA-N 2 2 279.344 -0.790 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]([N@@H+](C)CC(N)=O)C1 ZINC000971950193 659100954 /nfs/dbraw/zinc/10/09/54/659100954.db2.gz RFQMSDVMRZITAO-LLVKDONJSA-N 2 2 279.344 -0.790 20 0 CBADLP C[NH+](C)CC(=O)N1CC[NH+](C[C@H](O)C2(O)CCCC2)CC1 ZINC000929258888 659109223 /nfs/dbraw/zinc/10/92/23/659109223.db2.gz IPQZGASJQYAGGJ-ZDUSSCGKSA-N 2 2 299.415 -0.642 20 0 CBADLP C[C@H](C(N)=O)[N@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000972427482 659118732 /nfs/dbraw/zinc/11/87/32/659118732.db2.gz YCHSMBYGGFNZOS-MWLCHTKSSA-N 2 2 279.344 -0.641 20 0 CBADLP C[C@H](C(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000972427482 659118737 /nfs/dbraw/zinc/11/87/37/659118737.db2.gz YCHSMBYGGFNZOS-MWLCHTKSSA-N 2 2 279.344 -0.641 20 0 CBADLP Cc1[nH+]ccn1CCCNC(=O)C(=O)NC[C@H]1CC[N@H+]1C ZINC000929400451 659122648 /nfs/dbraw/zinc/12/26/48/659122648.db2.gz IIARXDMDFMLFQB-GFCCVEGCSA-N 2 2 293.371 -0.482 20 0 CBADLP Cc1[nH+]ccn1CCCNC(=O)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000929400451 659122653 /nfs/dbraw/zinc/12/26/53/659122653.db2.gz IIARXDMDFMLFQB-GFCCVEGCSA-N 2 2 293.371 -0.482 20 0 CBADLP C[C@H](O)C[N@H+](C)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000972617643 659124541 /nfs/dbraw/zinc/12/45/41/659124541.db2.gz DMCCBZWOIDYRIB-QWRGUYRKSA-N 2 2 266.345 -0.134 20 0 CBADLP C[C@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000972617643 659124545 /nfs/dbraw/zinc/12/45/45/659124545.db2.gz DMCCBZWOIDYRIB-QWRGUYRKSA-N 2 2 266.345 -0.134 20 0 CBADLP COc1cc[nH+]c(N2CC[NH+](C[C@H](O)[C@@H](C)O)CC2)c1 ZINC000929526065 659136530 /nfs/dbraw/zinc/13/65/30/659136530.db2.gz IPQLWMVPOIZDTH-YPMHNXCESA-N 2 2 281.356 -0.046 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[N@H+](CCO)CC1(C)C ZINC000977453595 659199549 /nfs/dbraw/zinc/19/95/49/659199549.db2.gz OFBSBODQUKFYIR-LBPRGKRZSA-N 2 2 280.372 -0.219 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[N@@H+](CCO)CC1(C)C ZINC000977453595 659199551 /nfs/dbraw/zinc/19/95/51/659199551.db2.gz OFBSBODQUKFYIR-LBPRGKRZSA-N 2 2 280.372 -0.219 20 0 CBADLP C[C@H](O)[C@@H](O)C[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000930073342 659202506 /nfs/dbraw/zinc/20/25/06/659202506.db2.gz ZGHFYDFVQXRXFG-UHTWSYAYSA-N 2 2 285.388 -0.858 20 0 CBADLP C[C@H](O)[C@@H](O)C[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000930073342 659202509 /nfs/dbraw/zinc/20/25/09/659202509.db2.gz ZGHFYDFVQXRXFG-UHTWSYAYSA-N 2 2 285.388 -0.858 20 0 CBADLP C[C@H](O)[C@H](O)C[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000930073344 659203065 /nfs/dbraw/zinc/20/30/65/659203065.db2.gz ZGHFYDFVQXRXFG-WCFLWFBJSA-N 2 2 285.388 -0.858 20 0 CBADLP C[C@H](O)[C@H](O)C[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000930073344 659203066 /nfs/dbraw/zinc/20/30/66/659203066.db2.gz ZGHFYDFVQXRXFG-WCFLWFBJSA-N 2 2 285.388 -0.858 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)[NH+](C)C ZINC000930096553 659206739 /nfs/dbraw/zinc/20/67/39/659206739.db2.gz XPPNZVAVBQQPEN-MCIONIFRSA-N 2 2 299.415 -0.068 20 0 CBADLP OC[C@H](O)C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000930319589 659253550 /nfs/dbraw/zinc/25/35/50/659253550.db2.gz NDRXKRAODRZBBP-QWHCGFSZSA-N 2 2 258.362 -0.474 20 0 CBADLP OC[C@H](O)C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000930319589 659253557 /nfs/dbraw/zinc/25/35/57/659253557.db2.gz NDRXKRAODRZBBP-QWHCGFSZSA-N 2 2 258.362 -0.474 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@H]([N@H+](C)CCO)C1 ZINC000980296385 659265840 /nfs/dbraw/zinc/26/58/40/659265840.db2.gz RFNRPZYNTCNZOM-ZDUSSCGKSA-N 2 2 280.372 -0.122 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@H]([N@@H+](C)CCO)C1 ZINC000980296385 659265847 /nfs/dbraw/zinc/26/58/47/659265847.db2.gz RFNRPZYNTCNZOM-ZDUSSCGKSA-N 2 2 280.372 -0.122 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N1CC[C@H]([N@@H+](C)[C@@H](C)C(N)=O)C1 ZINC000980406112 659271183 /nfs/dbraw/zinc/27/11/83/659271183.db2.gz AHQWOMNCTYIHFD-JQWIXIFHSA-N 2 2 293.371 -0.402 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N1CC[C@H]([N@H+](C)[C@@H](C)C(N)=O)C1 ZINC000980406112 659271199 /nfs/dbraw/zinc/27/11/99/659271199.db2.gz AHQWOMNCTYIHFD-JQWIXIFHSA-N 2 2 293.371 -0.402 20 0 CBADLP NC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000981175818 659310829 /nfs/dbraw/zinc/31/08/29/659310829.db2.gz GJDRMBPEWIAUFY-ZDUSSCGKSA-N 2 2 294.399 -0.652 20 0 CBADLP NC(=O)C[N@H+]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000981175818 659310832 /nfs/dbraw/zinc/31/08/32/659310832.db2.gz GJDRMBPEWIAUFY-ZDUSSCGKSA-N 2 2 294.399 -0.652 20 0 CBADLP NC(=O)C[NH2+][C@@H]1CCC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000981353136 659315301 /nfs/dbraw/zinc/31/53/01/659315301.db2.gz HALNNPNUHFYOBZ-ZJUUUORDSA-N 2 2 279.344 -0.546 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[NH+](CCO)CC2)O1 ZINC000981440334 659319271 /nfs/dbraw/zinc/31/92/71/659319271.db2.gz STRWCWZBQNSMJZ-CHWSQXEVSA-N 2 2 285.388 -0.768 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[NH+](CCO)CC2)O1 ZINC000981440334 659319275 /nfs/dbraw/zinc/31/92/75/659319275.db2.gz STRWCWZBQNSMJZ-CHWSQXEVSA-N 2 2 285.388 -0.768 20 0 CBADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[N@H+](CCO)CC2)O1 ZINC000981440334 659319278 /nfs/dbraw/zinc/31/92/78/659319278.db2.gz STRWCWZBQNSMJZ-CHWSQXEVSA-N 2 2 285.388 -0.768 20 0 CBADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[N@@H+](CCO)CC2)O1 ZINC000981440334 659319281 /nfs/dbraw/zinc/31/92/81/659319281.db2.gz STRWCWZBQNSMJZ-CHWSQXEVSA-N 2 2 285.388 -0.768 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCC[C@H]([NH2+]CC(N)=O)C1 ZINC000981488276 659319893 /nfs/dbraw/zinc/31/98/93/659319893.db2.gz WKSMSKFHCFUZDU-WDEREUQCSA-N 2 2 293.371 -0.237 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CCCN(C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC000981953485 659337933 /nfs/dbraw/zinc/33/79/33/659337933.db2.gz OFRMDOWLJBDFBV-OLZOCXBDSA-N 2 2 296.415 -0.121 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CCCN(C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC000981953485 659337936 /nfs/dbraw/zinc/33/79/36/659337936.db2.gz OFRMDOWLJBDFBV-OLZOCXBDSA-N 2 2 296.415 -0.121 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CCCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC000981953485 659337941 /nfs/dbraw/zinc/33/79/41/659337941.db2.gz OFRMDOWLJBDFBV-OLZOCXBDSA-N 2 2 296.415 -0.121 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CCCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC000981953485 659337951 /nfs/dbraw/zinc/33/79/51/659337951.db2.gz OFRMDOWLJBDFBV-OLZOCXBDSA-N 2 2 296.415 -0.121 20 0 CBADLP C[C@H](O)C[N@@H+]1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000982036006 659338744 /nfs/dbraw/zinc/33/87/44/659338744.db2.gz VEKAZGRYJBGHML-NSHDSACASA-N 2 2 266.345 -0.133 20 0 CBADLP C[C@H](O)C[N@H+]1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000982036006 659338748 /nfs/dbraw/zinc/33/87/48/659338748.db2.gz VEKAZGRYJBGHML-NSHDSACASA-N 2 2 266.345 -0.133 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC000984958795 659374252 /nfs/dbraw/zinc/37/42/52/659374252.db2.gz LPGNSCFWFCSTNB-GMTAPVOTSA-N 2 2 291.355 -0.675 20 0 CBADLP C[C@H](C(N)=O)[N@H+](C)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000985817602 659399943 /nfs/dbraw/zinc/39/99/43/659399943.db2.gz ZJIHGLJLXBAJAF-LLVKDONJSA-N 2 2 293.371 -0.320 20 0 CBADLP C[C@H](C(N)=O)[N@@H+](C)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000985817602 659399951 /nfs/dbraw/zinc/39/99/51/659399951.db2.gz ZJIHGLJLXBAJAF-LLVKDONJSA-N 2 2 293.371 -0.320 20 0 CBADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@@H](O)C3(O)CCOCC3)C[C@H]21 ZINC000931276412 659426007 /nfs/dbraw/zinc/42/60/07/659426007.db2.gz HXFKKQQSKIQFBN-XQHKEYJVSA-N 2 2 270.373 -0.619 20 0 CBADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[C@@H](O)C3(O)CCOCC3)C[C@H]21 ZINC000931276412 659426014 /nfs/dbraw/zinc/42/60/14/659426014.db2.gz HXFKKQQSKIQFBN-XQHKEYJVSA-N 2 2 270.373 -0.619 20 0 CBADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@H](O)C[C@]3(O)CCOC3)C[C@H]21 ZINC000931277238 659426439 /nfs/dbraw/zinc/42/64/39/659426439.db2.gz MOKOCIFDCASBRK-PEBLQZBPSA-N 2 2 270.373 -0.619 20 0 CBADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[C@H](O)C[C@]3(O)CCOC3)C[C@H]21 ZINC000931277238 659426444 /nfs/dbraw/zinc/42/64/44/659426444.db2.gz MOKOCIFDCASBRK-PEBLQZBPSA-N 2 2 270.373 -0.619 20 0 CBADLP C[N@@H+]1C[C@]2(C)C[NH+](CCn3cnnn3)C[C@]2(C)C1 ZINC000931318976 659430177 /nfs/dbraw/zinc/43/01/77/659430177.db2.gz WIPQHULYYCKZIQ-TXEJJXNPSA-N 2 2 250.350 -0.053 20 0 CBADLP C[N@H+]1C[C@]2(C)C[NH+](CCn3cnnn3)C[C@]2(C)C1 ZINC000931318976 659430197 /nfs/dbraw/zinc/43/01/97/659430197.db2.gz WIPQHULYYCKZIQ-TXEJJXNPSA-N 2 2 250.350 -0.053 20 0 CBADLP C[NH+]1C[C@]2(C)C[N@H+](CCn3cnnn3)C[C@]2(C)C1 ZINC000931318976 659430228 /nfs/dbraw/zinc/43/02/28/659430228.db2.gz WIPQHULYYCKZIQ-TXEJJXNPSA-N 2 2 250.350 -0.053 20 0 CBADLP C[NH+]1C[C@]2(C)C[N@@H+](CCn3cnnn3)C[C@]2(C)C1 ZINC000931318976 659430239 /nfs/dbraw/zinc/43/02/39/659430239.db2.gz WIPQHULYYCKZIQ-TXEJJXNPSA-N 2 2 250.350 -0.053 20 0 CBADLP C[NH+]1C[C@]2(C)C[NH+](CCCS(N)(=O)=O)C[C@@]2(C)C1 ZINC000931311105 659431981 /nfs/dbraw/zinc/43/19/81/659431981.db2.gz NRYYBQDHNOFWFT-VXGBXAGGSA-N 2 2 275.418 -0.061 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)COC2CC[NH+](C)CC2)CCO1 ZINC000931399089 659446620 /nfs/dbraw/zinc/44/66/20/659446620.db2.gz LOLQYTJCWGZFPU-ZDUSSCGKSA-N 2 2 299.415 -0.066 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)COC2CC[NH+](C)CC2)CCO1 ZINC000931399089 659446635 /nfs/dbraw/zinc/44/66/35/659446635.db2.gz LOLQYTJCWGZFPU-ZDUSSCGKSA-N 2 2 299.415 -0.066 20 0 CBADLP C[C@H]1[C@H]([NH2+]CC(N)=O)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000986355861 659447286 /nfs/dbraw/zinc/44/72/86/659447286.db2.gz QPZMSEPMQOQOKP-GXSJLCMTSA-N 2 2 279.344 -0.593 20 0 CBADLP C[C@H]1[C@H]([NH2+]CC(N)=O)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000986355861 659447304 /nfs/dbraw/zinc/44/73/04/659447304.db2.gz QPZMSEPMQOQOKP-GXSJLCMTSA-N 2 2 279.344 -0.593 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)COC2CC[NH+](C)CC2)CCO1 ZINC000931399088 659448310 /nfs/dbraw/zinc/44/83/10/659448310.db2.gz LOLQYTJCWGZFPU-CYBMUJFWSA-N 2 2 299.415 -0.066 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)COC2CC[NH+](C)CC2)CCO1 ZINC000931399088 659448320 /nfs/dbraw/zinc/44/83/20/659448320.db2.gz LOLQYTJCWGZFPU-CYBMUJFWSA-N 2 2 299.415 -0.066 20 0 CBADLP C[C@@H]1[C@H]([NH2+]CCO)CCN1C(=O)CCn1cc[nH+]c1 ZINC000986626320 659463593 /nfs/dbraw/zinc/46/35/93/659463593.db2.gz AZEGTFNRGARBNI-VXGBXAGGSA-N 2 2 266.345 -0.156 20 0 CBADLP COC1(OC)CC[N@H+](C[C@H](O)C[NH+]2CCCC2)C[C@@H]1O ZINC000931640797 659501753 /nfs/dbraw/zinc/50/17/53/659501753.db2.gz KGNRJALNCGJQSA-OLZOCXBDSA-N 2 2 288.388 -0.501 20 0 CBADLP COC1(OC)CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C[C@@H]1O ZINC000931640797 659501760 /nfs/dbraw/zinc/50/17/60/659501760.db2.gz KGNRJALNCGJQSA-OLZOCXBDSA-N 2 2 288.388 -0.501 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]([NH2+]CCO)[C@H]1C ZINC000987418822 659506273 /nfs/dbraw/zinc/50/62/73/659506273.db2.gz AAJYJUKPCHSSKZ-MNOVXSKESA-N 2 2 266.345 -0.168 20 0 CBADLP C[C@@H]1[C@@H]([NH2+]CCO)CCN1C(=O)CCc1c[nH+]cn1C ZINC000987431601 659506405 /nfs/dbraw/zinc/50/64/05/659506405.db2.gz CDSCKEXMTWWENT-YPMHNXCESA-N 2 2 280.372 -0.076 20 0 CBADLP C[C@H]1[C@@H]([NH2+]CCO)CCN1C(=O)Cn1cc[nH+]c1 ZINC000987610718 659512881 /nfs/dbraw/zinc/51/28/81/659512881.db2.gz PVOGFEWGBZQZQF-QWRGUYRKSA-N 2 2 252.318 -0.546 20 0 CBADLP C[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CC[NH+](C)C(C)(C)C1 ZINC000931888784 659555632 /nfs/dbraw/zinc/55/56/32/659555632.db2.gz RWVVJRRQOHTYIM-NSHDSACASA-N 2 2 282.388 -0.641 20 0 CBADLP C[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CC[NH+](C)C(C)(C)C1 ZINC000931888784 659555637 /nfs/dbraw/zinc/55/56/37/659555637.db2.gz RWVVJRRQOHTYIM-NSHDSACASA-N 2 2 282.388 -0.641 20 0 CBADLP C[NH+]1CC[C@H]1CNC(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000931888784 659555641 /nfs/dbraw/zinc/55/56/41/659555641.db2.gz RWVVJRRQOHTYIM-NSHDSACASA-N 2 2 282.388 -0.641 20 0 CBADLP C[NH+]1CC[C@H]1CNC(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000931888784 659555642 /nfs/dbraw/zinc/55/56/42/659555642.db2.gz RWVVJRRQOHTYIM-NSHDSACASA-N 2 2 282.388 -0.641 20 0 CBADLP C[C@H]1C[C@H]([NH2+]CC(N)=O)CN1C(=O)CCc1[nH+]ccn1C ZINC000989224309 659575811 /nfs/dbraw/zinc/57/58/11/659575811.db2.gz VFKNNUPLOVRGHP-QWRGUYRKSA-N 2 2 293.371 -0.583 20 0 CBADLP C[C@@H]1C[C@@H]([NH2+]CC(N)=O)CN1C(=O)CCn1cc[nH+]c1 ZINC000989265645 659577806 /nfs/dbraw/zinc/57/78/06/659577806.db2.gz HVALOURBXMKVPP-GHMZBOCLSA-N 2 2 279.344 -0.663 20 0 CBADLP C[C@@H]1C[C@@H]([NH2+]CCO)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC000989612562 659602144 /nfs/dbraw/zinc/60/21/44/659602144.db2.gz LMYTVPYEBCIAOL-NXEZZACHSA-N 2 2 252.318 -0.477 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC000989660774 659606037 /nfs/dbraw/zinc/60/60/37/659606037.db2.gz BHYQBSCJPFTZOY-NEPJUHHUSA-N 2 2 282.388 -0.654 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC000989660774 659606038 /nfs/dbraw/zinc/60/60/38/659606038.db2.gz BHYQBSCJPFTZOY-NEPJUHHUSA-N 2 2 282.388 -0.654 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000989660774 659606039 /nfs/dbraw/zinc/60/60/39/659606039.db2.gz BHYQBSCJPFTZOY-NEPJUHHUSA-N 2 2 282.388 -0.654 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000989660774 659606041 /nfs/dbraw/zinc/60/60/41/659606041.db2.gz BHYQBSCJPFTZOY-NEPJUHHUSA-N 2 2 282.388 -0.654 20 0 CBADLP C[C@@H]1C[C@@H]([NH2+]CC(N)=O)CN1C(=O)Cc1c[nH+]cn1C ZINC000989678068 659608402 /nfs/dbraw/zinc/60/84/02/659608402.db2.gz CLFJTGKNZNNHJV-NXEZZACHSA-N 2 2 279.344 -0.973 20 0 CBADLP C[C@@H](O)C[N@@H+]1CCCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000989787237 659614155 /nfs/dbraw/zinc/61/41/55/659614155.db2.gz LNOBAPNWEMGJMG-GFCCVEGCSA-N 2 2 266.345 -0.202 20 0 CBADLP C[C@@H](O)C[N@H+]1CCCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000989787237 659614157 /nfs/dbraw/zinc/61/41/57/659614157.db2.gz LNOBAPNWEMGJMG-GFCCVEGCSA-N 2 2 266.345 -0.202 20 0 CBADLP C[C@@H]1C[C@@H]([NH2+]CCO)CN1C(=O)Cn1cc[nH+]c1 ZINC000989856366 659618224 /nfs/dbraw/zinc/61/82/24/659618224.db2.gz ANEMYQVJNXNBCS-GHMZBOCLSA-N 2 2 252.318 -0.546 20 0 CBADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](CS(N)(=O)=O)C1 ZINC000932949985 659644951 /nfs/dbraw/zinc/64/49/51/659644951.db2.gz XRSOPUUUIVJKLC-VXGBXAGGSA-N 2 2 293.433 -0.702 20 0 CBADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](CS(N)(=O)=O)C1 ZINC000932949985 659644955 /nfs/dbraw/zinc/64/49/55/659644955.db2.gz XRSOPUUUIVJKLC-VXGBXAGGSA-N 2 2 293.433 -0.702 20 0 CBADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](CS(N)(=O)=O)C1 ZINC000932949985 659644959 /nfs/dbraw/zinc/64/49/59/659644959.db2.gz XRSOPUUUIVJKLC-VXGBXAGGSA-N 2 2 293.433 -0.702 20 0 CBADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](CS(N)(=O)=O)C1 ZINC000932949985 659644963 /nfs/dbraw/zinc/64/49/63/659644963.db2.gz XRSOPUUUIVJKLC-VXGBXAGGSA-N 2 2 293.433 -0.702 20 0 CBADLP C[N@H+](C[C@H](O)C[NH+]1CC[C@H](CS(N)(=O)=O)C1)C1CC1 ZINC000932949209 659646154 /nfs/dbraw/zinc/64/61/54/659646154.db2.gz WDGCCCOZBJRRSU-JQWIXIFHSA-N 2 2 291.417 -0.948 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH+]1CC[C@H](CS(N)(=O)=O)C1)C1CC1 ZINC000932949209 659646160 /nfs/dbraw/zinc/64/61/60/659646160.db2.gz WDGCCCOZBJRRSU-JQWIXIFHSA-N 2 2 291.417 -0.948 20 0 CBADLP C[NH+](C[C@H](O)C[N@@H+]1CC[C@H](CS(N)(=O)=O)C1)C1CC1 ZINC000932949209 659646168 /nfs/dbraw/zinc/64/61/68/659646168.db2.gz WDGCCCOZBJRRSU-JQWIXIFHSA-N 2 2 291.417 -0.948 20 0 CBADLP C[NH+](C[C@H](O)C[N@H+]1CC[C@H](CS(N)(=O)=O)C1)C1CC1 ZINC000932949209 659646179 /nfs/dbraw/zinc/64/61/79/659646179.db2.gz WDGCCCOZBJRRSU-JQWIXIFHSA-N 2 2 291.417 -0.948 20 0 CBADLP Cn1c[nH+]cc1CCC[N@@H+]1CCN2[C@@H](CNS2(=O)=O)C1 ZINC000933098218 659674593 /nfs/dbraw/zinc/67/45/93/659674593.db2.gz ZPMHULORHJUXMU-LBPRGKRZSA-N 2 2 299.400 -0.813 20 0 CBADLP Cn1c[nH+]cc1CCC[N@H+]1CCN2[C@@H](CNS2(=O)=O)C1 ZINC000933098218 659674603 /nfs/dbraw/zinc/67/46/03/659674603.db2.gz ZPMHULORHJUXMU-LBPRGKRZSA-N 2 2 299.400 -0.813 20 0 CBADLP CN1CC(=O)N(CC[N@@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)C1=O ZINC000933734408 659734633 /nfs/dbraw/zinc/73/46/33/659734633.db2.gz SHYOCLGLTFJZPI-RISCZKNCSA-N 2 2 280.372 -0.236 20 0 CBADLP CN1CC(=O)N(CC[N@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)C1=O ZINC000933734408 659734639 /nfs/dbraw/zinc/73/46/39/659734639.db2.gz SHYOCLGLTFJZPI-RISCZKNCSA-N 2 2 280.372 -0.236 20 0 CBADLP CN1CC(=O)N(CC[NH+]2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)C1=O ZINC000933734408 659734641 /nfs/dbraw/zinc/73/46/41/659734641.db2.gz SHYOCLGLTFJZPI-RISCZKNCSA-N 2 2 280.372 -0.236 20 0 CBADLP CN1CC(=O)N(CC[NH+]2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)C1=O ZINC000933734408 659734644 /nfs/dbraw/zinc/73/46/44/659734644.db2.gz SHYOCLGLTFJZPI-RISCZKNCSA-N 2 2 280.372 -0.236 20 0 CBADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@H]2CO)C1 ZINC000934030021 659762379 /nfs/dbraw/zinc/76/23/79/659762379.db2.gz KUDJTTDQWSNAPY-UONOGXRCSA-N 2 2 299.415 -0.474 20 0 CBADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@H]2CO)C1 ZINC000934030021 659762395 /nfs/dbraw/zinc/76/23/95/659762395.db2.gz KUDJTTDQWSNAPY-UONOGXRCSA-N 2 2 299.415 -0.474 20 0 CBADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CC[C@H]2CO)C1 ZINC000934030021 659762412 /nfs/dbraw/zinc/76/24/12/659762412.db2.gz KUDJTTDQWSNAPY-UONOGXRCSA-N 2 2 299.415 -0.474 20 0 CBADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC[C@H]2CO)C1 ZINC000934030021 659762434 /nfs/dbraw/zinc/76/24/34/659762434.db2.gz KUDJTTDQWSNAPY-UONOGXRCSA-N 2 2 299.415 -0.474 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCC[N@@H+]1CC(N)=O ZINC000993749505 659873688 /nfs/dbraw/zinc/87/36/88/659873688.db2.gz CIFXEWPEYZOIKY-YPMHNXCESA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCC[N@H+]1CC(N)=O ZINC000993749505 659873689 /nfs/dbraw/zinc/87/36/89/659873689.db2.gz CIFXEWPEYZOIKY-YPMHNXCESA-N 2 2 296.415 -0.217 20 0 CBADLP CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H]1C ZINC000994408021 659881338 /nfs/dbraw/zinc/88/13/38/659881338.db2.gz MNIAJDWZTSCACB-STQMWFEESA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H]1C ZINC000994408021 659881340 /nfs/dbraw/zinc/88/13/40/659881340.db2.gz MNIAJDWZTSCACB-STQMWFEESA-N 2 2 296.415 -0.203 20 0 CBADLP C[C@@H]1[C@H](NC(=O)C[NH+]2CCCC2)CCC[N@@H+]1CC(N)=O ZINC000994413785 659881719 /nfs/dbraw/zinc/88/17/19/659881719.db2.gz XMCFLQMQGCTHKL-VXGBXAGGSA-N 2 2 282.388 -0.463 20 0 CBADLP C[C@@H]1[C@H](NC(=O)C[NH+]2CCCC2)CCC[N@H+]1CC(N)=O ZINC000994413785 659881721 /nfs/dbraw/zinc/88/17/21/659881721.db2.gz XMCFLQMQGCTHKL-VXGBXAGGSA-N 2 2 282.388 -0.463 20 0 CBADLP CC1(C)CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1[NH2+]CC(N)=O ZINC000995879467 659910898 /nfs/dbraw/zinc/91/08/98/659910898.db2.gz DHCOWGFDHBYVJE-LLVKDONJSA-N 2 2 293.371 -0.346 20 0 CBADLP CC1(C)CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1[NH2+]CC(N)=O ZINC000995879467 659910899 /nfs/dbraw/zinc/91/08/99/659910899.db2.gz DHCOWGFDHBYVJE-LLVKDONJSA-N 2 2 293.371 -0.346 20 0 CBADLP C[C@@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)CC[N@@H+]1CCO ZINC000947929174 659963029 /nfs/dbraw/zinc/96/30/29/659963029.db2.gz JIUPZHCOMZZMRK-VXGBXAGGSA-N 2 2 280.372 -0.076 20 0 CBADLP C[C@@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)CC[N@H+]1CCO ZINC000947929174 659963030 /nfs/dbraw/zinc/96/30/30/659963030.db2.gz JIUPZHCOMZZMRK-VXGBXAGGSA-N 2 2 280.372 -0.076 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](CC(N)=O)[C@H](C)C1 ZINC000948052198 659964033 /nfs/dbraw/zinc/96/40/33/659964033.db2.gz BWXRTARCFUSZTO-PWSUYJOCSA-N 2 2 293.371 -0.354 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](CC(N)=O)[C@H](C)C1 ZINC000948052198 659964038 /nfs/dbraw/zinc/96/40/38/659964038.db2.gz BWXRTARCFUSZTO-PWSUYJOCSA-N 2 2 293.371 -0.354 20 0 CBADLP C[C@H](O)C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC000950490834 659992670 /nfs/dbraw/zinc/99/26/70/659992670.db2.gz DXYABNOISXZOAM-OLZOCXBDSA-N 2 2 269.389 -0.004 20 0 CBADLP C[C@H](O)C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC000950490834 659992674 /nfs/dbraw/zinc/99/26/74/659992674.db2.gz DXYABNOISXZOAM-OLZOCXBDSA-N 2 2 269.389 -0.004 20 0 CBADLP C[C@H]1CC[N@H+](CC(=O)N2CC[NH+](CCCO)CC2)C1 ZINC000950502508 659992977 /nfs/dbraw/zinc/99/29/77/659992977.db2.gz QNKKUWXHSNXXEZ-ZDUSSCGKSA-N 2 2 269.389 -0.145 20 0 CBADLP C[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](CCCO)CC2)C1 ZINC000950502508 659992979 /nfs/dbraw/zinc/99/29/79/659992979.db2.gz QNKKUWXHSNXXEZ-ZDUSSCGKSA-N 2 2 269.389 -0.145 20 0 CBADLP CC(C)=CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001076838678 805637825 /nfs/dbraw/zinc/63/78/25/805637825.db2.gz IEADSYBLVVRBFL-MCIONIFRSA-N 2 2 297.399 -0.556 20 0 CBADLP CC(C)=CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001076838678 805637832 /nfs/dbraw/zinc/63/78/32/805637832.db2.gz IEADSYBLVVRBFL-MCIONIFRSA-N 2 2 297.399 -0.556 20 0 CBADLP CC(C)=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001076838678 805637844 /nfs/dbraw/zinc/63/78/44/805637844.db2.gz IEADSYBLVVRBFL-MCIONIFRSA-N 2 2 297.399 -0.556 20 0 CBADLP CC(C)=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001076838678 805637850 /nfs/dbraw/zinc/63/78/50/805637850.db2.gz IEADSYBLVVRBFL-MCIONIFRSA-N 2 2 297.399 -0.556 20 0 CBADLP O=C(COC1CC[NH2+]CC1)NCCc1[nH]cc[nH+]1 ZINC000139602830 790397142 /nfs/dbraw/zinc/39/71/42/790397142.db2.gz OQMFYQSTRKVNCV-UHFFFAOYSA-N 2 2 252.318 -0.163 20 0 CBADLP CC(C)NC(=O)[C@H](C)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000229012467 790435347 /nfs/dbraw/zinc/43/53/47/790435347.db2.gz CSRMDNXUPRZPRB-RYUDHWBXSA-N 2 2 257.378 -0.054 20 0 CBADLP O[C@H](CN1CCC[N@@H+]2CCC[C@H]2C1)C[NH+]1CCOCC1 ZINC000382971024 790527914 /nfs/dbraw/zinc/52/79/14/790527914.db2.gz JJQQXWJBRWBWAI-GJZGRUSLSA-N 2 2 283.416 -0.150 20 0 CBADLP O[C@H](CN1CCC[N@H+]2CCC[C@H]2C1)C[NH+]1CCOCC1 ZINC000382971024 790527926 /nfs/dbraw/zinc/52/79/26/790527926.db2.gz JJQQXWJBRWBWAI-GJZGRUSLSA-N 2 2 283.416 -0.150 20 0 CBADLP O[C@@H](CN1CCC[N@@H+]2CCC[C@H]2C1)C[NH+]1CCOCC1 ZINC000382971029 790529314 /nfs/dbraw/zinc/52/93/14/790529314.db2.gz JJQQXWJBRWBWAI-LSDHHAIUSA-N 2 2 283.416 -0.150 20 0 CBADLP O[C@@H](CN1CCC[N@H+]2CCC[C@H]2C1)C[NH+]1CCOCC1 ZINC000382971029 790529316 /nfs/dbraw/zinc/52/93/16/790529316.db2.gz JJQQXWJBRWBWAI-LSDHHAIUSA-N 2 2 283.416 -0.150 20 0 CBADLP CN1CC[C@@H]([NH+]2CCN([C@H]3CC[NH2+]C3)CC2)C1=O ZINC000385484303 790542028 /nfs/dbraw/zinc/54/20/28/790542028.db2.gz OWFVNEYZZKPQRH-NWDGAFQWSA-N 2 2 252.362 -0.803 20 0 CBADLP [NH3+][C@@H](CC(=O)NC[C@@H]1CN2CC[N@@H+]1CCC2)C1CC1 ZINC000394385582 790576792 /nfs/dbraw/zinc/57/67/92/790576792.db2.gz MLERMSOGJFHYEU-OLZOCXBDSA-N 2 2 266.389 -0.380 20 0 CBADLP [NH3+][C@@H](CC(=O)NC[C@@H]1CN2CC[N@H+]1CCC2)C1CC1 ZINC000394385582 790576794 /nfs/dbraw/zinc/57/67/94/790576794.db2.gz MLERMSOGJFHYEU-OLZOCXBDSA-N 2 2 266.389 -0.380 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC(CC[NH3+])CC1 ZINC000394074094 790576889 /nfs/dbraw/zinc/57/68/89/790576889.db2.gz SXAYFFIRHRNUNX-CQSZACIVSA-N 3 2 273.421 -0.014 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(CC[NH3+])CC1 ZINC000394074094 790576893 /nfs/dbraw/zinc/57/68/93/790576893.db2.gz SXAYFFIRHRNUNX-CQSZACIVSA-N 3 2 273.421 -0.014 20 0 CBADLP [NH3+][C@H](CC(=O)NC[C@@H]1CN2CC[N@@H+]1CCC2)C1CC1 ZINC000394385581 790577092 /nfs/dbraw/zinc/57/70/92/790577092.db2.gz MLERMSOGJFHYEU-CHWSQXEVSA-N 2 2 266.389 -0.380 20 0 CBADLP [NH3+][C@H](CC(=O)NC[C@@H]1CN2CC[N@H+]1CCC2)C1CC1 ZINC000394385581 790577100 /nfs/dbraw/zinc/57/71/00/790577100.db2.gz MLERMSOGJFHYEU-CHWSQXEVSA-N 2 2 266.389 -0.380 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@H]1CCC[N@@H+](CCO)C1 ZINC000395057722 790580574 /nfs/dbraw/zinc/58/05/74/790580574.db2.gz UAQJMVJHWOFRIM-NSHDSACASA-N 2 2 252.318 -0.544 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@H]1CCC[N@H+](CCO)C1 ZINC000395057722 790580581 /nfs/dbraw/zinc/58/05/81/790580581.db2.gz UAQJMVJHWOFRIM-NSHDSACASA-N 2 2 252.318 -0.544 20 0 CBADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CCN(S(C)(=O)=O)C1 ZINC000400147749 790602796 /nfs/dbraw/zinc/60/27/96/790602796.db2.gz DJXCNDBUFJKULN-AXFHLTTASA-N 2 2 261.391 -0.250 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CCC([NH2+]CCO)CC1 ZINC000686191321 790648219 /nfs/dbraw/zinc/64/82/19/790648219.db2.gz UTHIKSOEIJCNLW-UHFFFAOYSA-N 2 2 252.318 -0.544 20 0 CBADLP CC1(C)C(=O)NCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000686243939 790650680 /nfs/dbraw/zinc/65/06/80/790650680.db2.gz MLSIBLUZTORIRV-SNVBAGLBSA-N 2 2 253.346 -0.282 20 0 CBADLP CC1(C)C(=O)NCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000686243939 790650687 /nfs/dbraw/zinc/65/06/87/790650687.db2.gz MLSIBLUZTORIRV-SNVBAGLBSA-N 2 2 253.346 -0.282 20 0 CBADLP Cn1c[nH+]cc1CCCN1CC[N@H+](C)[C@@H](CO)C1 ZINC000687593174 790656814 /nfs/dbraw/zinc/65/68/14/790656814.db2.gz KLVAWONVDPBQRU-CYBMUJFWSA-N 2 2 252.362 -0.039 20 0 CBADLP Cn1c[nH+]cc1CCCN1CC[N@@H+](C)[C@@H](CO)C1 ZINC000687593174 790656815 /nfs/dbraw/zinc/65/68/15/790656815.db2.gz KLVAWONVDPBQRU-CYBMUJFWSA-N 2 2 252.362 -0.039 20 0 CBADLP CON1CCC([NH2+]CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000692116538 790676008 /nfs/dbraw/zinc/67/60/08/790676008.db2.gz YNIFIDFCXNTCGX-UHFFFAOYSA-N 2 2 270.377 -0.624 20 0 CBADLP COc1cncc(C[NH2+]CC(=O)N2CC[NH+](C)CC2)c1 ZINC000699792936 790707810 /nfs/dbraw/zinc/70/78/10/790707810.db2.gz FEYIXKITPAOLKI-UHFFFAOYSA-N 2 2 278.356 -0.046 20 0 CBADLP CC[C@@H]1COC[C@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000699878614 790708040 /nfs/dbraw/zinc/70/80/40/790708040.db2.gz MOCLYEJYHMLFDE-VXGBXAGGSA-N 2 2 255.362 -0.225 20 0 CBADLP C[C@@H]1CC[C@@H](N2CC[NH+](CC(=O)N(C)C)CC2)C[NH2+]1 ZINC000700800585 790709785 /nfs/dbraw/zinc/70/97/85/790709785.db2.gz HRKVBSFAVSFFBN-CHWSQXEVSA-N 2 2 268.405 -0.167 20 0 CBADLP C[N@@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCC(=O)N1CC[NH2+]CC1 ZINC000720514011 790766290 /nfs/dbraw/zinc/76/62/90/790766290.db2.gz SMMDJDAQNPJWNI-KBPBESRZSA-N 3 2 280.416 -0.023 20 0 CBADLP C[N@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCC(=O)N1CC[NH2+]CC1 ZINC000720514011 790766297 /nfs/dbraw/zinc/76/62/97/790766297.db2.gz SMMDJDAQNPJWNI-KBPBESRZSA-N 3 2 280.416 -0.023 20 0 CBADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@@H+]2CCC(=O)N1CC[NH2+]CC1 ZINC000720514011 790766303 /nfs/dbraw/zinc/76/63/03/790766303.db2.gz SMMDJDAQNPJWNI-KBPBESRZSA-N 3 2 280.416 -0.023 20 0 CBADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@H+]2CCC(=O)N1CC[NH2+]CC1 ZINC000720514011 790766310 /nfs/dbraw/zinc/76/63/10/790766310.db2.gz SMMDJDAQNPJWNI-KBPBESRZSA-N 3 2 280.416 -0.023 20 0 CBADLP C[NH+](C)Cc1csc(CNS(=O)(=O)C2C[NH2+]C2)n1 ZINC000722388268 790795011 /nfs/dbraw/zinc/79/50/11/790795011.db2.gz LRDLXLHWVNUOOR-UHFFFAOYSA-N 2 2 290.414 -0.404 20 0 CBADLP C[C@@H](O)C[NH+]1CCN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)CC1 ZINC000821271069 790831318 /nfs/dbraw/zinc/83/13/18/790831318.db2.gz KYVFTJSHIUYQMA-OCCSQVGLSA-N 2 2 297.399 -0.768 20 0 CBADLP C[NH+](C)CC(=O)N1CCN(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000823676253 790847527 /nfs/dbraw/zinc/84/75/27/790847527.db2.gz MSERZILMJCZCCI-UHFFFAOYSA-N 2 2 297.403 -0.940 20 0 CBADLP NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001022311517 791005378 /nfs/dbraw/zinc/00/53/78/791005378.db2.gz SJXCSLIDXXEQCL-MXWKQRLJSA-N 2 2 291.355 -0.832 20 0 CBADLP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001077583701 805751425 /nfs/dbraw/zinc/75/14/25/805751425.db2.gz JDSGENASCKKABY-VXGBXAGGSA-N 2 2 297.355 -0.892 20 0 CBADLP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001077583701 805751432 /nfs/dbraw/zinc/75/14/32/805751432.db2.gz JDSGENASCKKABY-VXGBXAGGSA-N 2 2 297.355 -0.892 20 0 CBADLP C[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001077892895 805803138 /nfs/dbraw/zinc/80/31/38/805803138.db2.gz PBNYSHMDQUPPKX-BFHYXJOUSA-N 2 2 299.415 -0.740 20 0 CBADLP C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001077892895 805803148 /nfs/dbraw/zinc/80/31/48/805803148.db2.gz PBNYSHMDQUPPKX-BFHYXJOUSA-N 2 2 299.415 -0.740 20 0 CBADLP CC(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001078007361 805822484 /nfs/dbraw/zinc/82/24/84/805822484.db2.gz PUEFGOHJDFPEOL-CHWSQXEVSA-N 2 2 280.372 -0.220 20 0 CBADLP CC(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001078007361 805822494 /nfs/dbraw/zinc/82/24/94/805822494.db2.gz PUEFGOHJDFPEOL-CHWSQXEVSA-N 2 2 280.372 -0.220 20 0 CBADLP CO[C@@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001078080834 805831208 /nfs/dbraw/zinc/83/12/08/805831208.db2.gz HKANLQLSCNOWDZ-ZWKOPEQDSA-N 2 2 296.371 -0.543 20 0 CBADLP CO[C@@H](C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001078080834 805831198 /nfs/dbraw/zinc/83/11/98/805831198.db2.gz HKANLQLSCNOWDZ-ZWKOPEQDSA-N 2 2 296.371 -0.543 20 0 CBADLP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](C/C=C\Cl)C[C@H]2O)C1 ZINC001078175577 805848459 /nfs/dbraw/zinc/84/84/59/805848459.db2.gz BQXAXSDHJTVPDO-NEYPVHSNSA-N 2 2 287.791 -0.148 20 0 CBADLP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](C/C=C\Cl)C[C@H]2O)C1 ZINC001078175577 805848469 /nfs/dbraw/zinc/84/84/69/805848469.db2.gz BQXAXSDHJTVPDO-NEYPVHSNSA-N 2 2 287.791 -0.148 20 0 CBADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](C/C=C\Cl)C[C@H]2O)C1 ZINC001078175577 805848479 /nfs/dbraw/zinc/84/84/79/805848479.db2.gz BQXAXSDHJTVPDO-NEYPVHSNSA-N 2 2 287.791 -0.148 20 0 CBADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](C/C=C\Cl)C[C@H]2O)C1 ZINC001078175577 805848487 /nfs/dbraw/zinc/84/84/87/805848487.db2.gz BQXAXSDHJTVPDO-NEYPVHSNSA-N 2 2 287.791 -0.148 20 0 CBADLP CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001078272337 805864378 /nfs/dbraw/zinc/86/43/78/805864378.db2.gz RVLDUCYZFVWWCN-GHMZBOCLSA-N 2 2 252.318 -0.546 20 0 CBADLP CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001078272337 805864386 /nfs/dbraw/zinc/86/43/86/805864386.db2.gz RVLDUCYZFVWWCN-GHMZBOCLSA-N 2 2 252.318 -0.546 20 0 CBADLP C[C@H](F)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001078270592 805864668 /nfs/dbraw/zinc/86/46/68/805864668.db2.gz GFQUOQHIUBXNKU-QJPTWQEYSA-N 2 2 284.335 -0.208 20 0 CBADLP C[C@H](F)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001078270592 805864679 /nfs/dbraw/zinc/86/46/79/805864679.db2.gz GFQUOQHIUBXNKU-QJPTWQEYSA-N 2 2 284.335 -0.208 20 0 CBADLP CO[C@@H](C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001078270680 805866542 /nfs/dbraw/zinc/86/65/42/805866542.db2.gz IVYXSQNUQSBBAQ-QJPTWQEYSA-N 2 2 282.344 -0.921 20 0 CBADLP CO[C@@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001078270680 805866548 /nfs/dbraw/zinc/86/65/48/805866548.db2.gz IVYXSQNUQSBBAQ-QJPTWQEYSA-N 2 2 282.344 -0.921 20 0 CBADLP C[C@@H](CCNC(=O)Cc1c[nH]c[nH+]1)NC(=O)CC[NH+](C)C ZINC001078754142 805890560 /nfs/dbraw/zinc/89/05/60/805890560.db2.gz QBODFXUPJVHXMH-NSHDSACASA-N 2 2 295.387 -0.085 20 0 CBADLP NC(=O)C[NH2+][C@@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C12CCC2 ZINC001078737239 805887808 /nfs/dbraw/zinc/88/78/08/805887808.db2.gz WMWVPSIVVFGMGQ-MNOVXSKESA-N 2 2 291.355 -0.546 20 0 CBADLP NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C12CCC2 ZINC001078829909 805891670 /nfs/dbraw/zinc/89/16/70/805891670.db2.gz NPJBORHLBFBRDY-QWRGUYRKSA-N 2 2 291.355 -0.615 20 0 CBADLP C[C@H]([NH2+]CCNC(=O)Cc1c[nH+]cn1C)C(=O)NC1CC1 ZINC001147915484 814926360 /nfs/dbraw/zinc/92/63/60/814926360.db2.gz KRLDENORWQHHQR-JTQLQIEISA-N 2 2 293.371 -0.665 20 0 CBADLP C[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001079981863 805954021 /nfs/dbraw/zinc/95/40/21/805954021.db2.gz FJEMTSOHHQCAQG-MBNYWOFBSA-N 2 2 292.383 -0.126 20 0 CBADLP C[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001079981863 805954028 /nfs/dbraw/zinc/95/40/28/805954028.db2.gz FJEMTSOHHQCAQG-MBNYWOFBSA-N 2 2 292.383 -0.126 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@H]1C ZINC001080138738 805960118 /nfs/dbraw/zinc/96/01/18/805960118.db2.gz OXZJBCZYWVQMIO-ADEWGFFLSA-N 2 2 293.371 -0.498 20 0 CBADLP CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001080138123 805961973 /nfs/dbraw/zinc/96/19/73/805961973.db2.gz FAUSRMKRFNVFGL-ZYHUDNBSSA-N 2 2 293.371 -0.626 20 0 CBADLP CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001080138123 805961992 /nfs/dbraw/zinc/96/19/92/805961992.db2.gz FAUSRMKRFNVFGL-ZYHUDNBSSA-N 2 2 293.371 -0.626 20 0 CBADLP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001080455942 805985999 /nfs/dbraw/zinc/98/59/99/805985999.db2.gz DXDBDRGJXPOVPC-VXGBXAGGSA-N 2 2 296.415 -0.360 20 0 CBADLP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001080455942 805986006 /nfs/dbraw/zinc/98/60/06/805986006.db2.gz DXDBDRGJXPOVPC-VXGBXAGGSA-N 2 2 296.415 -0.360 20 0 CBADLP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001080455942 805986012 /nfs/dbraw/zinc/98/60/12/805986012.db2.gz DXDBDRGJXPOVPC-VXGBXAGGSA-N 2 2 296.415 -0.360 20 0 CBADLP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001080455942 805986022 /nfs/dbraw/zinc/98/60/22/805986022.db2.gz DXDBDRGJXPOVPC-VXGBXAGGSA-N 2 2 296.415 -0.360 20 0 CBADLP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001080446140 805986924 /nfs/dbraw/zinc/98/69/24/805986924.db2.gz BQCFBEIGPQLDQH-QJPTWQEYSA-N 2 2 282.388 -0.750 20 0 CBADLP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001080446140 805986929 /nfs/dbraw/zinc/98/69/29/805986929.db2.gz BQCFBEIGPQLDQH-QJPTWQEYSA-N 2 2 282.388 -0.750 20 0 CBADLP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001080446140 805986936 /nfs/dbraw/zinc/98/69/36/805986936.db2.gz BQCFBEIGPQLDQH-QJPTWQEYSA-N 2 2 282.388 -0.750 20 0 CBADLP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001080446140 805986939 /nfs/dbraw/zinc/98/69/39/805986939.db2.gz BQCFBEIGPQLDQH-QJPTWQEYSA-N 2 2 282.388 -0.750 20 0 CBADLP CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001080447059 805987260 /nfs/dbraw/zinc/98/72/60/805987260.db2.gz VYZQSPHZJKMLQX-JHJVBQTASA-N 2 2 296.415 -0.489 20 0 CBADLP CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001080447059 805987268 /nfs/dbraw/zinc/98/72/68/805987268.db2.gz VYZQSPHZJKMLQX-JHJVBQTASA-N 2 2 296.415 -0.489 20 0 CBADLP CNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001080447059 805987276 /nfs/dbraw/zinc/98/72/76/805987276.db2.gz VYZQSPHZJKMLQX-JHJVBQTASA-N 2 2 296.415 -0.489 20 0 CBADLP CNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001080447059 805987280 /nfs/dbraw/zinc/98/72/80/805987280.db2.gz VYZQSPHZJKMLQX-JHJVBQTASA-N 2 2 296.415 -0.489 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001080942843 806016454 /nfs/dbraw/zinc/01/64/54/806016454.db2.gz CHHCSTVTCHHYJC-FRRDWIJNSA-N 2 2 296.415 -0.347 20 0 CBADLP CNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001080942843 806016462 /nfs/dbraw/zinc/01/64/62/806016462.db2.gz CHHCSTVTCHHYJC-FRRDWIJNSA-N 2 2 296.415 -0.347 20 0 CBADLP C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001080943171 806018604 /nfs/dbraw/zinc/01/86/04/806018604.db2.gz TWHQVFRPWCNHGZ-CHWSQXEVSA-N 2 2 296.415 -0.393 20 0 CBADLP C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001080943171 806018608 /nfs/dbraw/zinc/01/86/08/806018608.db2.gz TWHQVFRPWCNHGZ-CHWSQXEVSA-N 2 2 296.415 -0.393 20 0 CBADLP CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@H](OC)C1 ZINC001081481820 806087017 /nfs/dbraw/zinc/08/70/17/806087017.db2.gz XAEMRZCBRHPXEH-MCIONIFRSA-N 2 2 299.415 -0.068 20 0 CBADLP CCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@H](OC)C1 ZINC001081481820 806087024 /nfs/dbraw/zinc/08/70/24/806087024.db2.gz XAEMRZCBRHPXEH-MCIONIFRSA-N 2 2 299.415 -0.068 20 0 CBADLP CCCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)[C@H](OC)C1 ZINC001081481820 806087033 /nfs/dbraw/zinc/08/70/33/806087033.db2.gz XAEMRZCBRHPXEH-MCIONIFRSA-N 2 2 299.415 -0.068 20 0 CBADLP CCCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H](OC)C1 ZINC001081481820 806087044 /nfs/dbraw/zinc/08/70/44/806087044.db2.gz XAEMRZCBRHPXEH-MCIONIFRSA-N 2 2 299.415 -0.068 20 0 CBADLP CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)[C@H]1CCCC[NH+]1C ZINC001081855500 806126747 /nfs/dbraw/zinc/12/67/47/806126747.db2.gz HNAFVCCTTVNBJT-JHJVBQTASA-N 2 2 285.388 -0.722 20 0 CBADLP CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)[C@H]1CCCC[NH+]1C ZINC001081855500 806126761 /nfs/dbraw/zinc/12/67/61/806126761.db2.gz HNAFVCCTTVNBJT-JHJVBQTASA-N 2 2 285.388 -0.722 20 0 CBADLP CO[C@@H]1C[NH+](CCO)C[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001081855500 806126769 /nfs/dbraw/zinc/12/67/69/806126769.db2.gz HNAFVCCTTVNBJT-JHJVBQTASA-N 2 2 285.388 -0.722 20 0 CBADLP CO[C@@H]1C[NH+](CCO)C[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C ZINC001081855500 806126773 /nfs/dbraw/zinc/12/67/73/806126773.db2.gz HNAFVCCTTVNBJT-JHJVBQTASA-N 2 2 285.388 -0.722 20 0 CBADLP C[C@@H]([NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C)C(N)=O ZINC001082766745 806193463 /nfs/dbraw/zinc/19/34/63/806193463.db2.gz WGRHPHSKVLHCPD-FXPVBKGRSA-N 2 2 279.344 -0.738 20 0 CBADLP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001082823908 806195572 /nfs/dbraw/zinc/19/55/72/806195572.db2.gz WTWTZMCLJGMSGU-GMTAPVOTSA-N 2 2 266.345 -0.231 20 0 CBADLP O=C(CCn1cc[nH+]c1)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001083157530 806230905 /nfs/dbraw/zinc/23/09/05/806230905.db2.gz BPTQERPOQZCOCS-QWHCGFSZSA-N 2 2 294.355 -0.823 20 0 CBADLP O=C(CCn1cc[nH+]c1)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001083157530 806230918 /nfs/dbraw/zinc/23/09/18/806230918.db2.gz BPTQERPOQZCOCS-QWHCGFSZSA-N 2 2 294.355 -0.823 20 0 CBADLP C[C@@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)Cc3c[nH+]c[nH]3)[C@H]2C1 ZINC001083207685 806239338 /nfs/dbraw/zinc/23/93/38/806239338.db2.gz ISJAEQZOUNJQAC-KGYLQXTDSA-N 2 2 294.355 -0.755 20 0 CBADLP C[C@@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)Cc3c[nH+]c[nH]3)[C@H]2C1 ZINC001083207685 806239343 /nfs/dbraw/zinc/23/93/43/806239343.db2.gz ISJAEQZOUNJQAC-KGYLQXTDSA-N 2 2 294.355 -0.755 20 0 CBADLP CCCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)[C@@H](O)C1 ZINC001083385574 806298502 /nfs/dbraw/zinc/29/85/02/806298502.db2.gz SAWZEEAIAFWWDA-AGIUHOORSA-N 2 2 285.388 -0.722 20 0 CBADLP CCCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@@H](O)C1 ZINC001083385574 806298509 /nfs/dbraw/zinc/29/85/09/806298509.db2.gz SAWZEEAIAFWWDA-AGIUHOORSA-N 2 2 285.388 -0.722 20 0 CBADLP CCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@@H](O)C1 ZINC001083385574 806298494 /nfs/dbraw/zinc/29/84/94/806298494.db2.gz SAWZEEAIAFWWDA-AGIUHOORSA-N 2 2 285.388 -0.722 20 0 CBADLP CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@@H](O)C1 ZINC001083385574 806298497 /nfs/dbraw/zinc/29/84/97/806298497.db2.gz SAWZEEAIAFWWDA-AGIUHOORSA-N 2 2 285.388 -0.722 20 0 CBADLP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)C1 ZINC001083782968 806429623 /nfs/dbraw/zinc/42/96/23/806429623.db2.gz UWQYFGHUMOEBLL-OLZOCXBDSA-N 2 2 299.415 -0.738 20 0 CBADLP CC1(C)CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCCO)C[C@@H]2O)C1 ZINC001083782968 806429610 /nfs/dbraw/zinc/42/96/10/806429610.db2.gz UWQYFGHUMOEBLL-OLZOCXBDSA-N 2 2 299.415 -0.738 20 0 CBADLP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCCO)C[C@@H]2O)C1 ZINC001083782968 806429617 /nfs/dbraw/zinc/42/96/17/806429617.db2.gz UWQYFGHUMOEBLL-OLZOCXBDSA-N 2 2 299.415 -0.738 20 0 CBADLP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCCO)C[C@@H]2O)C1 ZINC001083782968 806429619 /nfs/dbraw/zinc/42/96/19/806429619.db2.gz UWQYFGHUMOEBLL-OLZOCXBDSA-N 2 2 299.415 -0.738 20 0 CBADLP COCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)[C@@H](O)C1 ZINC001083778163 806430435 /nfs/dbraw/zinc/43/04/35/806430435.db2.gz DBDWZWIRBMHZAK-XQQFMLRXSA-N 2 2 285.388 -0.722 20 0 CBADLP COCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)[C@@H](O)C1 ZINC001083778163 806430441 /nfs/dbraw/zinc/43/04/41/806430441.db2.gz DBDWZWIRBMHZAK-XQQFMLRXSA-N 2 2 285.388 -0.722 20 0 CBADLP COCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)[C@@H](O)C1 ZINC001083778163 806430446 /nfs/dbraw/zinc/43/04/46/806430446.db2.gz DBDWZWIRBMHZAK-XQQFMLRXSA-N 2 2 285.388 -0.722 20 0 CBADLP COCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)[C@@H](O)C1 ZINC001083778163 806430455 /nfs/dbraw/zinc/43/04/55/806430455.db2.gz DBDWZWIRBMHZAK-XQQFMLRXSA-N 2 2 285.388 -0.722 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@H+](CC2CCC2)C[C@@H]1O ZINC001083954304 806468102 /nfs/dbraw/zinc/46/81/02/806468102.db2.gz TYRODDGESNJJTM-KGLIPLIRSA-N 2 2 292.383 -0.076 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@@H+](CC2CCC2)C[C@@H]1O ZINC001083954304 806468107 /nfs/dbraw/zinc/46/81/07/806468107.db2.gz TYRODDGESNJJTM-KGLIPLIRSA-N 2 2 292.383 -0.076 20 0 CBADLP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CCF)C[C@@H]2O)C1 ZINC001083954143 806468693 /nfs/dbraw/zinc/46/86/93/806468693.db2.gz MWHVRSLIKQNIHP-UTUOFQBUSA-N 2 2 273.352 -0.541 20 0 CBADLP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CCF)C[C@@H]2O)C1 ZINC001083954143 806468694 /nfs/dbraw/zinc/46/86/94/806468694.db2.gz MWHVRSLIKQNIHP-UTUOFQBUSA-N 2 2 273.352 -0.541 20 0 CBADLP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@H+](CCF)C[C@@H]2O)C1 ZINC001083954143 806468695 /nfs/dbraw/zinc/46/86/95/806468695.db2.gz MWHVRSLIKQNIHP-UTUOFQBUSA-N 2 2 273.352 -0.541 20 0 CBADLP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@@H+](CCF)C[C@@H]2O)C1 ZINC001083954143 806468696 /nfs/dbraw/zinc/46/86/96/806468696.db2.gz MWHVRSLIKQNIHP-UTUOFQBUSA-N 2 2 273.352 -0.541 20 0 CBADLP CC[N@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](O)C1 ZINC001083997742 806472481 /nfs/dbraw/zinc/47/24/81/806472481.db2.gz LCKAHSGFVNDSLV-MNOVXSKESA-N 2 2 252.318 -0.558 20 0 CBADLP CC[N@@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](O)C1 ZINC001083997742 806472488 /nfs/dbraw/zinc/47/24/88/806472488.db2.gz LCKAHSGFVNDSLV-MNOVXSKESA-N 2 2 252.318 -0.558 20 0 CBADLP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOC)C[C@@H]1O ZINC001084088282 806487535 /nfs/dbraw/zinc/48/75/35/806487535.db2.gz ZNKUHLHZASTAES-RDBSUJKOSA-N 2 2 299.415 -0.332 20 0 CBADLP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOC)C[C@@H]1O ZINC001084088282 806487541 /nfs/dbraw/zinc/48/75/41/806487541.db2.gz ZNKUHLHZASTAES-RDBSUJKOSA-N 2 2 299.415 -0.332 20 0 CBADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOC)C[C@@H]1O ZINC001084088282 806487544 /nfs/dbraw/zinc/48/75/44/806487544.db2.gz ZNKUHLHZASTAES-RDBSUJKOSA-N 2 2 299.415 -0.332 20 0 CBADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOC)C[C@@H]1O ZINC001084088282 806487548 /nfs/dbraw/zinc/48/75/48/806487548.db2.gz ZNKUHLHZASTAES-RDBSUJKOSA-N 2 2 299.415 -0.332 20 0 CBADLP C[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](CC(N)=O)C[C@H]32)CC1 ZINC001084629257 806530823 /nfs/dbraw/zinc/53/08/23/806530823.db2.gz NHBKQIUYDKWKDV-CHWSQXEVSA-N 2 2 294.399 -0.654 20 0 CBADLP C[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](CC(N)=O)C[C@H]32)CC1 ZINC001084629257 806530825 /nfs/dbraw/zinc/53/08/25/806530825.db2.gz NHBKQIUYDKWKDV-CHWSQXEVSA-N 2 2 294.399 -0.654 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@H]2CC[N@@H+](CCO)C[C@H]21 ZINC001084687781 806531765 /nfs/dbraw/zinc/53/17/65/806531765.db2.gz UBJNMGXHRIUNOP-ZYHUDNBSSA-N 2 2 264.329 -0.523 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@H]2CC[N@H+](CCO)C[C@H]21 ZINC001084687781 806531771 /nfs/dbraw/zinc/53/17/71/806531771.db2.gz UBJNMGXHRIUNOP-ZYHUDNBSSA-N 2 2 264.329 -0.523 20 0 CBADLP C[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)[C@@H]2C1 ZINC001084775225 806536675 /nfs/dbraw/zinc/53/66/75/806536675.db2.gz XXTNJXZFLZFCDO-OUCADQQQSA-N 2 2 292.383 -0.124 20 0 CBADLP C[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)[C@@H]2C1 ZINC001084775225 806536682 /nfs/dbraw/zinc/53/66/82/806536682.db2.gz XXTNJXZFLZFCDO-OUCADQQQSA-N 2 2 292.383 -0.124 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CC(N)=O)[C@H]2C1 ZINC001084905881 806540583 /nfs/dbraw/zinc/54/05/83/806540583.db2.gz RRERPPMFZRLNLJ-AGIUHOORSA-N 2 2 294.399 -0.511 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CC(N)=O)[C@H]2C1 ZINC001084905881 806540591 /nfs/dbraw/zinc/54/05/91/806540591.db2.gz RRERPPMFZRLNLJ-AGIUHOORSA-N 2 2 294.399 -0.511 20 0 CBADLP C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CC(N)=O)[C@H]2C1 ZINC001084905881 806540598 /nfs/dbraw/zinc/54/05/98/806540598.db2.gz RRERPPMFZRLNLJ-AGIUHOORSA-N 2 2 294.399 -0.511 20 0 CBADLP C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CC(N)=O)[C@H]2C1 ZINC001084905881 806540601 /nfs/dbraw/zinc/54/06/01/806540601.db2.gz RRERPPMFZRLNLJ-AGIUHOORSA-N 2 2 294.399 -0.511 20 0 CBADLP CN(C[C@@H]1CC[N@@H+]1CCCO)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001085531191 806573953 /nfs/dbraw/zinc/57/39/53/806573953.db2.gz NOQZCWZHDBNZCO-STQMWFEESA-N 2 2 285.388 -0.768 20 0 CBADLP CN(C[C@@H]1CC[N@H+]1CCCO)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001085531191 806573956 /nfs/dbraw/zinc/57/39/56/806573956.db2.gz NOQZCWZHDBNZCO-STQMWFEESA-N 2 2 285.388 -0.768 20 0 CBADLP CN(C[C@@H]1CC[NH+]1CCCO)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001085531191 806573963 /nfs/dbraw/zinc/57/39/63/806573963.db2.gz NOQZCWZHDBNZCO-STQMWFEESA-N 2 2 285.388 -0.768 20 0 CBADLP CN(C[C@@H]1CC[NH+]1CCCO)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001085531191 806573969 /nfs/dbraw/zinc/57/39/69/806573969.db2.gz NOQZCWZHDBNZCO-STQMWFEESA-N 2 2 285.388 -0.768 20 0 CBADLP CN(C[C@@H]1CC[N@@H+]1CCO)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001085676405 806593314 /nfs/dbraw/zinc/59/33/14/806593314.db2.gz ORLGUTJFFGKTND-OLZOCXBDSA-N 2 2 292.383 -0.030 20 0 CBADLP CN(C[C@@H]1CC[N@H+]1CCO)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001085676405 806593318 /nfs/dbraw/zinc/59/33/18/806593318.db2.gz ORLGUTJFFGKTND-OLZOCXBDSA-N 2 2 292.383 -0.030 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CC[C@@H]1CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001085799359 806610396 /nfs/dbraw/zinc/61/03/96/806610396.db2.gz PPDGTRLBZHQBNK-DGCLKSJQSA-N 2 2 296.415 -0.265 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CC[C@@H]1CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001085799359 806610404 /nfs/dbraw/zinc/61/04/04/806610404.db2.gz PPDGTRLBZHQBNK-DGCLKSJQSA-N 2 2 296.415 -0.265 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@@H]1CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001085799360 806610901 /nfs/dbraw/zinc/61/09/01/806610901.db2.gz PPDGTRLBZHQBNK-WCQYABFASA-N 2 2 296.415 -0.265 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CC[C@@H]1CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001085799360 806610904 /nfs/dbraw/zinc/61/09/04/806610904.db2.gz PPDGTRLBZHQBNK-WCQYABFASA-N 2 2 296.415 -0.265 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001085968582 806627592 /nfs/dbraw/zinc/62/75/92/806627592.db2.gz LMCUSRZRDAWMSJ-RYUDHWBXSA-N 2 2 282.388 -0.783 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001085968582 806627597 /nfs/dbraw/zinc/62/75/97/806627597.db2.gz LMCUSRZRDAWMSJ-RYUDHWBXSA-N 2 2 282.388 -0.783 20 0 CBADLP CNC(=O)C[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001085968582 806627601 /nfs/dbraw/zinc/62/76/01/806627601.db2.gz LMCUSRZRDAWMSJ-RYUDHWBXSA-N 2 2 282.388 -0.783 20 0 CBADLP CNC(=O)C[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001085968582 806627604 /nfs/dbraw/zinc/62/76/04/806627604.db2.gz LMCUSRZRDAWMSJ-RYUDHWBXSA-N 2 2 282.388 -0.783 20 0 CBADLP Cn1nncc1C[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001022776032 798841130 /nfs/dbraw/zinc/84/11/30/798841130.db2.gz UETYZTKMWKXKSP-AOOOYVTPSA-N 2 2 289.343 -0.482 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001022888686 798863384 /nfs/dbraw/zinc/86/33/84/798863384.db2.gz PHGPEQAEEXJASC-OUAUKWLOSA-N 2 2 291.355 -0.532 20 0 CBADLP C[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001022977820 798872195 /nfs/dbraw/zinc/87/21/95/798872195.db2.gz BFBJGZZELXLZDP-MXWKQRLJSA-N 2 2 266.345 -0.420 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001023159037 798888063 /nfs/dbraw/zinc/88/80/63/798888063.db2.gz OKCBWBDOLINKHZ-GRYCIOLGSA-N 2 2 291.355 -0.602 20 0 CBADLP Cn1ncnc1C[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001023159579 798888141 /nfs/dbraw/zinc/88/81/41/798888141.db2.gz ZPCDKKHFAQGDLD-PHIMTYICSA-N 2 2 289.343 -0.551 20 0 CBADLP CNC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001024365496 798934184 /nfs/dbraw/zinc/93/41/84/798934184.db2.gz BHWFCEUAESZGGC-CHWSQXEVSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001024365496 798934187 /nfs/dbraw/zinc/93/41/87/798934187.db2.gz BHWFCEUAESZGGC-CHWSQXEVSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001024365496 798934188 /nfs/dbraw/zinc/93/41/88/798934188.db2.gz BHWFCEUAESZGGC-CHWSQXEVSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001024365496 798934191 /nfs/dbraw/zinc/93/41/91/798934191.db2.gz BHWFCEUAESZGGC-CHWSQXEVSA-N 2 2 296.415 -0.203 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1CC(N)=O ZINC001024367237 798935553 /nfs/dbraw/zinc/93/55/53/798935553.db2.gz YICKNMPBIXJTSJ-VXGBXAGGSA-N 2 2 282.388 -0.463 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1CC(N)=O ZINC001024367237 798935555 /nfs/dbraw/zinc/93/55/55/798935555.db2.gz YICKNMPBIXJTSJ-VXGBXAGGSA-N 2 2 282.388 -0.463 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CC(N)=O ZINC001024367237 798935563 /nfs/dbraw/zinc/93/55/63/798935563.db2.gz YICKNMPBIXJTSJ-VXGBXAGGSA-N 2 2 282.388 -0.463 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1CC(N)=O ZINC001024367237 798935571 /nfs/dbraw/zinc/93/55/71/798935571.db2.gz YICKNMPBIXJTSJ-VXGBXAGGSA-N 2 2 282.388 -0.463 20 0 CBADLP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC(N)=O ZINC001024514159 798940326 /nfs/dbraw/zinc/94/03/26/798940326.db2.gz WKUFFTQMWVFJQL-STQMWFEESA-N 2 2 296.415 -0.073 20 0 CBADLP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC(N)=O ZINC001024514159 798940327 /nfs/dbraw/zinc/94/03/27/798940327.db2.gz WKUFFTQMWVFJQL-STQMWFEESA-N 2 2 296.415 -0.073 20 0 CBADLP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CC(N)=O ZINC001024514159 798940332 /nfs/dbraw/zinc/94/03/32/798940332.db2.gz WKUFFTQMWVFJQL-STQMWFEESA-N 2 2 296.415 -0.073 20 0 CBADLP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CC(N)=O ZINC001024514159 798940337 /nfs/dbraw/zinc/94/03/37/798940337.db2.gz WKUFFTQMWVFJQL-STQMWFEESA-N 2 2 296.415 -0.073 20 0 CBADLP C[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001025815037 798979275 /nfs/dbraw/zinc/97/92/75/798979275.db2.gz GRCGUQJBXZDLNC-QOXTVGHNSA-N 2 2 290.367 -0.060 20 0 CBADLP C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001025815037 798979285 /nfs/dbraw/zinc/97/92/85/798979285.db2.gz GRCGUQJBXZDLNC-QOXTVGHNSA-N 2 2 290.367 -0.060 20 0 CBADLP C[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001025815037 798979289 /nfs/dbraw/zinc/97/92/89/798979289.db2.gz GRCGUQJBXZDLNC-QOXTVGHNSA-N 2 2 290.367 -0.060 20 0 CBADLP C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001025815037 798979291 /nfs/dbraw/zinc/97/92/91/798979291.db2.gz GRCGUQJBXZDLNC-QOXTVGHNSA-N 2 2 290.367 -0.060 20 0 CBADLP NC(=O)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC001026365981 799001535 /nfs/dbraw/zinc/00/15/35/799001535.db2.gz DSDHBMJIRSDDAS-MVWJERBFSA-N 2 2 291.355 -0.736 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001027091951 799030611 /nfs/dbraw/zinc/03/06/11/799030611.db2.gz XBRYKAMHVBWSGF-CMPLNLGQSA-N 2 2 291.355 -0.721 20 0 CBADLP C[C@H](C(N)=O)[N@H+](C)[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001027595193 799057907 /nfs/dbraw/zinc/05/79/07/799057907.db2.gz WIFXCYGWBVVLJY-ZYHUDNBSSA-N 2 2 293.371 -0.251 20 0 CBADLP C[C@H](C(N)=O)[N@@H+](C)[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001027595193 799057912 /nfs/dbraw/zinc/05/79/12/799057912.db2.gz WIFXCYGWBVVLJY-ZYHUDNBSSA-N 2 2 293.371 -0.251 20 0 CBADLP C[N@H+](CCO)[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001027594430 799058653 /nfs/dbraw/zinc/05/86/53/799058653.db2.gz HMQDSCMLADLFQR-LBPRGKRZSA-N 2 2 266.345 -0.133 20 0 CBADLP C[N@@H+](CCO)[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001027594430 799058661 /nfs/dbraw/zinc/05/86/61/799058661.db2.gz HMQDSCMLADLFQR-LBPRGKRZSA-N 2 2 266.345 -0.133 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@H]([N@H+](C)CCO)C1 ZINC001027649758 799063341 /nfs/dbraw/zinc/06/33/41/799063341.db2.gz SHMUGDPFUGWQOZ-LBPRGKRZSA-N 2 2 280.372 -0.122 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@H]([N@@H+](C)CCO)C1 ZINC001027649758 799063347 /nfs/dbraw/zinc/06/33/47/799063347.db2.gz SHMUGDPFUGWQOZ-LBPRGKRZSA-N 2 2 280.372 -0.122 20 0 CBADLP C[N@H+](CC(N)=O)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001027701862 799065238 /nfs/dbraw/zinc/06/52/38/799065238.db2.gz KUVVOBFVYCHNEX-NSHDSACASA-N 2 2 279.344 -0.709 20 0 CBADLP C[N@@H+](CC(N)=O)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001027701862 799065243 /nfs/dbraw/zinc/06/52/43/799065243.db2.gz KUVVOBFVYCHNEX-NSHDSACASA-N 2 2 279.344 -0.709 20 0 CBADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CC(N)=O ZINC001027878611 799093706 /nfs/dbraw/zinc/09/37/06/799093706.db2.gz FLFLEXHVDPSEEO-STQMWFEESA-N 2 2 296.415 -0.075 20 0 CBADLP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CC(N)=O ZINC001027878611 799093713 /nfs/dbraw/zinc/09/37/13/799093713.db2.gz FLFLEXHVDPSEEO-STQMWFEESA-N 2 2 296.415 -0.075 20 0 CBADLP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC(N)=O ZINC001027878611 799093719 /nfs/dbraw/zinc/09/37/19/799093719.db2.gz FLFLEXHVDPSEEO-STQMWFEESA-N 2 2 296.415 -0.075 20 0 CBADLP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC(N)=O ZINC001027878611 799093726 /nfs/dbraw/zinc/09/37/26/799093726.db2.gz FLFLEXHVDPSEEO-STQMWFEESA-N 2 2 296.415 -0.075 20 0 CBADLP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CC(N)=O ZINC001028335354 799125458 /nfs/dbraw/zinc/12/54/58/799125458.db2.gz SNFGUEVQYPNUOL-STQMWFEESA-N 2 2 296.415 -0.073 20 0 CBADLP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CC(N)=O ZINC001028335354 799125461 /nfs/dbraw/zinc/12/54/61/799125461.db2.gz SNFGUEVQYPNUOL-STQMWFEESA-N 2 2 296.415 -0.073 20 0 CBADLP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC(N)=O ZINC001028335354 799125463 /nfs/dbraw/zinc/12/54/63/799125463.db2.gz SNFGUEVQYPNUOL-STQMWFEESA-N 2 2 296.415 -0.073 20 0 CBADLP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC(N)=O ZINC001028335354 799125465 /nfs/dbraw/zinc/12/54/65/799125465.db2.gz SNFGUEVQYPNUOL-STQMWFEESA-N 2 2 296.415 -0.073 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[NH+](CCF)C2)C1 ZINC001028465956 799140333 /nfs/dbraw/zinc/14/03/33/799140333.db2.gz NTCRSFBKVMMVDQ-NEPJUHHUSA-N 2 2 273.352 -0.275 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[NH+](CCF)C2)C1 ZINC001028465956 799140337 /nfs/dbraw/zinc/14/03/37/799140337.db2.gz NTCRSFBKVMMVDQ-NEPJUHHUSA-N 2 2 273.352 -0.275 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)NC[C@H]2CC[N@H+](CCF)C2)C1 ZINC001028465956 799140340 /nfs/dbraw/zinc/14/03/40/799140340.db2.gz NTCRSFBKVMMVDQ-NEPJUHHUSA-N 2 2 273.352 -0.275 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)NC[C@H]2CC[N@@H+](CCF)C2)C1 ZINC001028465956 799140344 /nfs/dbraw/zinc/14/03/44/799140344.db2.gz NTCRSFBKVMMVDQ-NEPJUHHUSA-N 2 2 273.352 -0.275 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCO ZINC001029553900 799202788 /nfs/dbraw/zinc/20/27/88/799202788.db2.gz DRNVOIBIWMYRAM-TXEJJXNPSA-N 2 2 278.356 -0.370 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO ZINC001029553900 799202792 /nfs/dbraw/zinc/20/27/92/799202792.db2.gz DRNVOIBIWMYRAM-TXEJJXNPSA-N 2 2 278.356 -0.370 20 0 CBADLP C[N@@H+]1CC[C@H](CC(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3CC(N)=O)C1 ZINC001029552978 799203072 /nfs/dbraw/zinc/20/30/72/799203072.db2.gz HISAYWQQZYVLCY-UPJWGTAASA-N 2 2 294.399 -0.511 20 0 CBADLP C[N@H+]1CC[C@H](CC(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3CC(N)=O)C1 ZINC001029552978 799203077 /nfs/dbraw/zinc/20/30/77/799203077.db2.gz HISAYWQQZYVLCY-UPJWGTAASA-N 2 2 294.399 -0.511 20 0 CBADLP C[NH+]1CC[C@H](CC(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC(N)=O)C1 ZINC001029552978 799203080 /nfs/dbraw/zinc/20/30/80/799203080.db2.gz HISAYWQQZYVLCY-UPJWGTAASA-N 2 2 294.399 -0.511 20 0 CBADLP C[NH+]1CC[C@H](CC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(N)=O)C1 ZINC001029552978 799203085 /nfs/dbraw/zinc/20/30/85/799203085.db2.gz HISAYWQQZYVLCY-UPJWGTAASA-N 2 2 294.399 -0.511 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3CCO)C1 ZINC001029589424 799204079 /nfs/dbraw/zinc/20/40/79/799204079.db2.gz JTLBKXSAIFPUMH-HZSPNIEDSA-N 2 2 297.399 -0.625 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3CCO)C1 ZINC001029589424 799204084 /nfs/dbraw/zinc/20/40/84/799204084.db2.gz JTLBKXSAIFPUMH-HZSPNIEDSA-N 2 2 297.399 -0.625 20 0 CBADLP CC[NH+]1CCO[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CCO)C1 ZINC001029589424 799204088 /nfs/dbraw/zinc/20/40/88/799204088.db2.gz JTLBKXSAIFPUMH-HZSPNIEDSA-N 2 2 297.399 -0.625 20 0 CBADLP CC[NH+]1CCO[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCO)C1 ZINC001029589424 799204093 /nfs/dbraw/zinc/20/40/93/799204093.db2.gz JTLBKXSAIFPUMH-HZSPNIEDSA-N 2 2 297.399 -0.625 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001030032347 799215969 /nfs/dbraw/zinc/21/59/69/799215969.db2.gz ZJTAIQXCGOAIKN-YNEHKIRRSA-N 2 2 296.415 -0.075 20 0 CBADLP CC[C@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001030032347 799215973 /nfs/dbraw/zinc/21/59/73/799215973.db2.gz ZJTAIQXCGOAIKN-YNEHKIRRSA-N 2 2 296.415 -0.075 20 0 CBADLP CC[C@H](C(N)=O)[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001030032347 799215978 /nfs/dbraw/zinc/21/59/78/799215978.db2.gz ZJTAIQXCGOAIKN-YNEHKIRRSA-N 2 2 296.415 -0.075 20 0 CBADLP CC[C@H](C(N)=O)[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001030032347 799215982 /nfs/dbraw/zinc/21/59/82/799215982.db2.gz ZJTAIQXCGOAIKN-YNEHKIRRSA-N 2 2 296.415 -0.075 20 0 CBADLP CO[C@H](C)C[NH+]1CC(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001030162647 799253525 /nfs/dbraw/zinc/25/35/25/799253525.db2.gz XSKFTRUXSXYVND-PWSUYJOCSA-N 2 2 255.362 -0.084 20 0 CBADLP CO[C@H](C)C[NH+]1CC(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001030162647 799253527 /nfs/dbraw/zinc/25/35/27/799253527.db2.gz XSKFTRUXSXYVND-PWSUYJOCSA-N 2 2 255.362 -0.084 20 0 CBADLP C[C@H](O)C[NH+]1CC(NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001030330190 799297210 /nfs/dbraw/zinc/29/72/10/799297210.db2.gz RWEWMIQLIYLZPA-NSHDSACASA-N 2 2 295.387 -0.761 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NC1C[NH+](CCCO)C1 ZINC001030683227 799359901 /nfs/dbraw/zinc/35/99/01/799359901.db2.gz ASUWXFTWKSVBPE-UHFFFAOYSA-N 2 2 252.318 -0.626 20 0 CBADLP CC[NH+]1CC(NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001030705617 799365087 /nfs/dbraw/zinc/36/50/87/799365087.db2.gz GZAUPEOEIPPIEY-KHJSKFAYSA-N 2 2 265.357 -0.330 20 0 CBADLP CC[NH+]1CC(NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001030705617 799365095 /nfs/dbraw/zinc/36/50/95/799365095.db2.gz GZAUPEOEIPPIEY-KHJSKFAYSA-N 2 2 265.357 -0.330 20 0 CBADLP COC[C@H](C)[NH+]1CC(NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001030839713 799393973 /nfs/dbraw/zinc/39/39/73/799393973.db2.gz QZYSVWVOHZCLKR-JSGCOSHPSA-N 2 2 299.415 -0.069 20 0 CBADLP COC[C@H](C)[NH+]1CC(NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001030839713 799393977 /nfs/dbraw/zinc/39/39/77/799393977.db2.gz QZYSVWVOHZCLKR-JSGCOSHPSA-N 2 2 299.415 -0.069 20 0 CBADLP COCC[NH+]1CC(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001030891832 799405532 /nfs/dbraw/zinc/40/55/32/799405532.db2.gz QNUSDVASJAUQQR-UHFFFAOYSA-N 2 2 255.362 -0.225 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC1CN(Cc2c[nH+]cn2C)C1 ZINC001030959959 799417673 /nfs/dbraw/zinc/41/76/73/799417673.db2.gz HFVXXWSIDGZOAV-RISCZKNCSA-N 2 2 291.399 -0.082 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CN(Cc2c[nH+]cn2C)C1 ZINC001030959959 799417678 /nfs/dbraw/zinc/41/76/78/799417678.db2.gz HFVXXWSIDGZOAV-RISCZKNCSA-N 2 2 291.399 -0.082 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC1C[NH+](C[C@H]2CCOC2)C1 ZINC001031258686 799465172 /nfs/dbraw/zinc/46/51/72/799465172.db2.gz QLFLWQZMGLQCDG-LLVKDONJSA-N 2 2 278.356 -0.201 20 0 CBADLP CN(C)c1cc[nH+]cc1C(=O)NC1C[NH+](CCCO)C1 ZINC001031267802 799467529 /nfs/dbraw/zinc/46/75/29/799467529.db2.gz WAXDJHZNPSKDIF-UHFFFAOYSA-N 2 2 278.356 -0.056 20 0 CBADLP C[C@H](O)C[NH+]1CC(NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001031267417 799467687 /nfs/dbraw/zinc/46/76/87/799467687.db2.gz GTIXRHYMLCPZBV-JTQLQIEISA-N 2 2 278.356 -0.058 20 0 CBADLP C[N@@H+]1CC[C@@H](C(=O)NC2C[NH+](CCn3cccn3)C2)C1 ZINC001031381950 799479627 /nfs/dbraw/zinc/47/96/27/799479627.db2.gz FKVTXIZXTAMEIO-GFCCVEGCSA-N 2 2 277.372 -0.365 20 0 CBADLP C[N@H+]1CC[C@@H](C(=O)NC2C[NH+](CCn3cccn3)C2)C1 ZINC001031381950 799479634 /nfs/dbraw/zinc/47/96/34/799479634.db2.gz FKVTXIZXTAMEIO-GFCCVEGCSA-N 2 2 277.372 -0.365 20 0 CBADLP Cn1nccc1CC[NH+]1CC(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001031385290 799480540 /nfs/dbraw/zinc/48/05/40/799480540.db2.gz ZQOZVBPUUCSPNZ-GFCCVEGCSA-N 2 2 291.399 -0.285 20 0 CBADLP Cn1nccc1CC[NH+]1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001031385290 799480544 /nfs/dbraw/zinc/48/05/44/799480544.db2.gz ZQOZVBPUUCSPNZ-GFCCVEGCSA-N 2 2 291.399 -0.285 20 0 CBADLP COC[C@@H](C)[NH+]1CC(NC(=O)C[NH+]2CCCC2)C1 ZINC001031389765 799483388 /nfs/dbraw/zinc/48/33/88/799483388.db2.gz AEJJIVPDTLWXFX-LLVKDONJSA-N 2 2 255.362 -0.083 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC1C[NH+](C[C@H](C)O)C1 ZINC001031391701 799483434 /nfs/dbraw/zinc/48/34/34/799483434.db2.gz KYSDRMAVRCQFSF-VIFPVBQESA-N 2 2 252.318 -0.627 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC1C[NH+](C[C@@H](C)O)C1 ZINC001031391700 799483763 /nfs/dbraw/zinc/48/37/63/799483763.db2.gz KYSDRMAVRCQFSF-SECBINFHSA-N 2 2 252.318 -0.627 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC1C[NH+](CCCO)C1 ZINC001031390497 799483939 /nfs/dbraw/zinc/48/39/39/799483939.db2.gz PCHHTIMPIWYGCH-UHFFFAOYSA-N 2 2 252.318 -0.626 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+]([C@H](C)C(N)=O)C2)CC[N@@H+]1C ZINC001031683876 799531869 /nfs/dbraw/zinc/53/18/69/799531869.db2.gz ARBXXXCKXZSNBY-KGYLQXTDSA-N 2 2 296.415 -0.362 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+]([C@H](C)C(N)=O)C2)CC[N@H+]1C ZINC001031683876 799531872 /nfs/dbraw/zinc/53/18/72/799531872.db2.gz ARBXXXCKXZSNBY-KGYLQXTDSA-N 2 2 296.415 -0.362 20 0 CBADLP CNC(=O)[C@H](C)[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001031776396 799542916 /nfs/dbraw/zinc/54/29/16/799542916.db2.gz JPVUCBODMXDNJO-AAEUAGOBSA-N 2 2 296.415 -0.347 20 0 CBADLP CNC(=O)[C@H](C)[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001031776396 799542919 /nfs/dbraw/zinc/54/29/19/799542919.db2.gz JPVUCBODMXDNJO-AAEUAGOBSA-N 2 2 296.415 -0.347 20 0 CBADLP C[C@H](O)C[NH+]1CC(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001031778019 799543827 /nfs/dbraw/zinc/54/38/27/799543827.db2.gz HDMXYQNLMRYUGI-AAEUAGOBSA-N 2 2 292.383 -0.126 20 0 CBADLP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001031801301 799545768 /nfs/dbraw/zinc/54/57/68/799545768.db2.gz BFTYWLKMGBJSRJ-CYBMUJFWSA-N 2 2 296.415 -0.360 20 0 CBADLP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001031801301 799545770 /nfs/dbraw/zinc/54/57/70/799545770.db2.gz BFTYWLKMGBJSRJ-CYBMUJFWSA-N 2 2 296.415 -0.360 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001031925692 799562436 /nfs/dbraw/zinc/56/24/36/799562436.db2.gz LDKGTKXUQGOKOX-GVXVVHGQSA-N 2 2 296.415 -0.362 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001031925692 799562438 /nfs/dbraw/zinc/56/24/38/799562438.db2.gz LDKGTKXUQGOKOX-GVXVVHGQSA-N 2 2 296.415 -0.362 20 0 CBADLP C[NH+]1CCC(C(=O)NCC2C[NH+]([C@@H]3CCNC3=O)C2)CC1 ZINC001031948333 799565927 /nfs/dbraw/zinc/56/59/27/799565927.db2.gz VHCCYTZHICUGMF-CYBMUJFWSA-N 2 2 294.399 -0.735 20 0 CBADLP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCC2C[NH+](CC(N)=O)C2)C1 ZINC001032128637 799583904 /nfs/dbraw/zinc/58/39/04/799583904.db2.gz IUXQNFNVJWHHQN-CHWSQXEVSA-N 2 2 296.415 -0.360 20 0 CBADLP CN(C)C(=O)C[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001032182540 799591031 /nfs/dbraw/zinc/59/10/31/799591031.db2.gz NBKGHLOKXVGHFL-GFCCVEGCSA-N 2 2 282.388 -0.926 20 0 CBADLP CN(C)C(=O)C[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001032182540 799591034 /nfs/dbraw/zinc/59/10/34/799591034.db2.gz NBKGHLOKXVGHFL-GFCCVEGCSA-N 2 2 282.388 -0.926 20 0 CBADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](CC(=O)NC)C1 ZINC001032205783 799594335 /nfs/dbraw/zinc/59/43/35/799594335.db2.gz IYJPBLIDPSXQGP-CYBMUJFWSA-N 2 2 296.415 -0.345 20 0 CBADLP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](CC(=O)NC)C1 ZINC001032205783 799594341 /nfs/dbraw/zinc/59/43/41/799594341.db2.gz IYJPBLIDPSXQGP-CYBMUJFWSA-N 2 2 296.415 -0.345 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCCO)O1 ZINC001032472691 799631635 /nfs/dbraw/zinc/63/16/35/799631635.db2.gz MHAYRWRZLPNLDI-ZOBORPQBSA-N 2 2 297.399 -0.627 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCCO)O1 ZINC001032472691 799631639 /nfs/dbraw/zinc/63/16/39/799631639.db2.gz MHAYRWRZLPNLDI-ZOBORPQBSA-N 2 2 297.399 -0.627 20 0 CBADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCCO)O1 ZINC001032472691 799631640 /nfs/dbraw/zinc/63/16/40/799631640.db2.gz MHAYRWRZLPNLDI-ZOBORPQBSA-N 2 2 297.399 -0.627 20 0 CBADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCCO)O1 ZINC001032472691 799631644 /nfs/dbraw/zinc/63/16/44/799631644.db2.gz MHAYRWRZLPNLDI-ZOBORPQBSA-N 2 2 297.399 -0.627 20 0 CBADLP C[C@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1c[nH+]c[nH]1 ZINC001032651918 799652799 /nfs/dbraw/zinc/65/27/99/799652799.db2.gz IUXWBJBWSQTXHA-DLOVCJGASA-N 2 2 264.329 -0.382 20 0 CBADLP C[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1c[nH+]c[nH]1 ZINC001032651918 799652803 /nfs/dbraw/zinc/65/28/03/799652803.db2.gz IUXWBJBWSQTXHA-DLOVCJGASA-N 2 2 264.329 -0.382 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001032829796 799674287 /nfs/dbraw/zinc/67/42/87/799674287.db2.gz VJDXVQMDZBBDHE-WOPDTQHZSA-N 2 2 282.388 -0.465 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001032829796 799674289 /nfs/dbraw/zinc/67/42/89/799674289.db2.gz VJDXVQMDZBBDHE-WOPDTQHZSA-N 2 2 282.388 -0.465 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001032829796 799674294 /nfs/dbraw/zinc/67/42/94/799674294.db2.gz VJDXVQMDZBBDHE-WOPDTQHZSA-N 2 2 282.388 -0.465 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001032829796 799674301 /nfs/dbraw/zinc/67/43/01/799674301.db2.gz VJDXVQMDZBBDHE-WOPDTQHZSA-N 2 2 282.388 -0.465 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001032839476 799678318 /nfs/dbraw/zinc/67/83/18/799678318.db2.gz GTCMUQYDWMMZGA-UPJWGTAASA-N 2 2 296.415 -0.204 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001032839476 799678327 /nfs/dbraw/zinc/67/83/27/799678327.db2.gz GTCMUQYDWMMZGA-UPJWGTAASA-N 2 2 296.415 -0.204 20 0 CBADLP CNC(=O)[C@@H](C)[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001032839476 799678330 /nfs/dbraw/zinc/67/83/30/799678330.db2.gz GTCMUQYDWMMZGA-UPJWGTAASA-N 2 2 296.415 -0.204 20 0 CBADLP CNC(=O)[C@@H](C)[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001032839476 799678332 /nfs/dbraw/zinc/67/83/32/799678332.db2.gz GTCMUQYDWMMZGA-UPJWGTAASA-N 2 2 296.415 -0.204 20 0 CBADLP CN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001032967709 799697376 /nfs/dbraw/zinc/69/73/76/799697376.db2.gz KGWVLOMHODGVCU-GHMZBOCLSA-N 2 2 268.361 -0.901 20 0 CBADLP CN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001032967709 799697379 /nfs/dbraw/zinc/69/73/79/799697379.db2.gz KGWVLOMHODGVCU-GHMZBOCLSA-N 2 2 268.361 -0.901 20 0 CBADLP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001032967709 799697383 /nfs/dbraw/zinc/69/73/83/799697383.db2.gz KGWVLOMHODGVCU-GHMZBOCLSA-N 2 2 268.361 -0.901 20 0 CBADLP CN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001032967709 799697386 /nfs/dbraw/zinc/69/73/86/799697386.db2.gz KGWVLOMHODGVCU-GHMZBOCLSA-N 2 2 268.361 -0.901 20 0 CBADLP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CC[NH+](CC(N)=O)C2)CC[N@@H+]1C ZINC001033094487 799715478 /nfs/dbraw/zinc/71/54/78/799715478.db2.gz IHMSPSGZTPDGRW-IJLUTSLNSA-N 2 2 282.388 -0.655 20 0 CBADLP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CC[NH+](CC(N)=O)C2)CC[N@H+]1C ZINC001033094487 799715486 /nfs/dbraw/zinc/71/54/86/799715486.db2.gz IHMSPSGZTPDGRW-IJLUTSLNSA-N 2 2 282.388 -0.655 20 0 CBADLP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CC[N@H+](CC(N)=O)C2)CC[NH+]1C ZINC001033094487 799715493 /nfs/dbraw/zinc/71/54/93/799715493.db2.gz IHMSPSGZTPDGRW-IJLUTSLNSA-N 2 2 282.388 -0.655 20 0 CBADLP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CC[N@@H+](CC(N)=O)C2)CC[NH+]1C ZINC001033094487 799715498 /nfs/dbraw/zinc/71/54/98/799715498.db2.gz IHMSPSGZTPDGRW-IJLUTSLNSA-N 2 2 282.388 -0.655 20 0 CBADLP CN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)[C@@H]1CC[N@H+](CCO)C1 ZINC001033204646 799725522 /nfs/dbraw/zinc/72/55/22/799725522.db2.gz ZTFUCPASGVZSIJ-TZMCWYRMSA-N 2 2 292.383 -0.030 20 0 CBADLP CN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)[C@@H]1CC[N@@H+](CCO)C1 ZINC001033204646 799725526 /nfs/dbraw/zinc/72/55/26/799725526.db2.gz ZTFUCPASGVZSIJ-TZMCWYRMSA-N 2 2 292.383 -0.030 20 0 CBADLP CN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)[C@H]1CC[N@H+](CCO)C1 ZINC001033208546 799726062 /nfs/dbraw/zinc/72/60/62/799726062.db2.gz POVMPNXTIIOKGB-OLZOCXBDSA-N 2 2 292.383 -0.030 20 0 CBADLP CN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)[C@H]1CC[N@@H+](CCO)C1 ZINC001033208546 799726066 /nfs/dbraw/zinc/72/60/66/799726066.db2.gz POVMPNXTIIOKGB-OLZOCXBDSA-N 2 2 292.383 -0.030 20 0 CBADLP CN(C(=O)[C@H]1CCn2c[nH+]cc2C1)[C@@H]1CC[N@H+](CCO)C1 ZINC001033208548 799727060 /nfs/dbraw/zinc/72/70/60/799727060.db2.gz POVMPNXTIIOKGB-QWHCGFSZSA-N 2 2 292.383 -0.030 20 0 CBADLP CN(C(=O)[C@H]1CCn2c[nH+]cc2C1)[C@@H]1CC[N@@H+](CCO)C1 ZINC001033208548 799727063 /nfs/dbraw/zinc/72/70/63/799727063.db2.gz POVMPNXTIIOKGB-QWHCGFSZSA-N 2 2 292.383 -0.030 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001033417687 799751985 /nfs/dbraw/zinc/75/19/85/799751985.db2.gz XHCZKDIIUYYIPX-OLZOCXBDSA-N 2 2 296.415 -0.251 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001033417687 799751990 /nfs/dbraw/zinc/75/19/90/799751990.db2.gz XHCZKDIIUYYIPX-OLZOCXBDSA-N 2 2 296.415 -0.251 20 0 CBADLP CNC(=O)C[NH+]1CC[C@H](N(C)C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001033417687 799751993 /nfs/dbraw/zinc/75/19/93/799751993.db2.gz XHCZKDIIUYYIPX-OLZOCXBDSA-N 2 2 296.415 -0.251 20 0 CBADLP CNC(=O)C[NH+]1CC[C@H](N(C)C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001033417687 799751997 /nfs/dbraw/zinc/75/19/97/799751997.db2.gz XHCZKDIIUYYIPX-OLZOCXBDSA-N 2 2 296.415 -0.251 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001033454653 799756219 /nfs/dbraw/zinc/75/62/19/799756219.db2.gz FJTJPDCYZKMDKE-JQWIXIFHSA-N 2 2 293.371 -0.381 20 0 CBADLP CNC(=O)[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001033454653 799756223 /nfs/dbraw/zinc/75/62/23/799756223.db2.gz FJTJPDCYZKMDKE-JQWIXIFHSA-N 2 2 293.371 -0.381 20 0 CBADLP C[C@@H](O)C[N@@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001033453595 799757604 /nfs/dbraw/zinc/75/76/04/799757604.db2.gz XKEUUNWMRRKMSE-PWSUYJOCSA-N 2 2 266.345 -0.134 20 0 CBADLP C[C@@H](O)C[N@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001033453595 799757618 /nfs/dbraw/zinc/75/76/18/799757618.db2.gz XKEUUNWMRRKMSE-PWSUYJOCSA-N 2 2 266.345 -0.134 20 0 CBADLP CN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001033658221 799775606 /nfs/dbraw/zinc/77/56/06/799775606.db2.gz RYJLGKYAYCXORR-QWHCGFSZSA-N 2 2 294.399 -0.497 20 0 CBADLP CN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001033658221 799775610 /nfs/dbraw/zinc/77/56/10/799775610.db2.gz RYJLGKYAYCXORR-QWHCGFSZSA-N 2 2 294.399 -0.497 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001033665248 799778951 /nfs/dbraw/zinc/77/89/51/799778951.db2.gz MWWVOXCLPLCBAV-LBPRGKRZSA-N 2 2 293.371 -0.530 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001033665248 799778956 /nfs/dbraw/zinc/77/89/56/799778956.db2.gz MWWVOXCLPLCBAV-LBPRGKRZSA-N 2 2 293.371 -0.530 20 0 CBADLP C[C@H](O)C[N@@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001033701396 799783054 /nfs/dbraw/zinc/78/30/54/799783054.db2.gz CTVJVSCDRVPLBZ-RYUDHWBXSA-N 2 2 266.345 -0.203 20 0 CBADLP C[C@H](O)C[N@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001033701396 799783057 /nfs/dbraw/zinc/78/30/57/799783057.db2.gz CTVJVSCDRVPLBZ-RYUDHWBXSA-N 2 2 266.345 -0.203 20 0 CBADLP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033778267 799789128 /nfs/dbraw/zinc/78/91/28/799789128.db2.gz ZKVJDGJBLICQRC-RYUDHWBXSA-N 2 2 282.388 -0.511 20 0 CBADLP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033778267 799789134 /nfs/dbraw/zinc/78/91/34/799789134.db2.gz ZKVJDGJBLICQRC-RYUDHWBXSA-N 2 2 282.388 -0.511 20 0 CBADLP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](CC(N)=O)C1 ZINC001033778267 799789139 /nfs/dbraw/zinc/78/91/39/799789139.db2.gz ZKVJDGJBLICQRC-RYUDHWBXSA-N 2 2 282.388 -0.511 20 0 CBADLP CCN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CC[NH+](CC(N)=O)C1 ZINC001033778267 799789143 /nfs/dbraw/zinc/78/91/43/799789143.db2.gz ZKVJDGJBLICQRC-RYUDHWBXSA-N 2 2 282.388 -0.511 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCCC[NH+](CCO)C2)C1 ZINC001034149209 799816219 /nfs/dbraw/zinc/81/62/19/799816219.db2.gz TXQNVJDXGMZYSU-QWHCGFSZSA-N 2 2 285.388 -0.720 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCCC[NH+](CCO)C2)C1 ZINC001034149209 799816223 /nfs/dbraw/zinc/81/62/23/799816223.db2.gz TXQNVJDXGMZYSU-QWHCGFSZSA-N 2 2 285.388 -0.720 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)N[C@H]2CCCC[N@H+](CCO)C2)C1 ZINC001034149209 799816230 /nfs/dbraw/zinc/81/62/30/799816230.db2.gz TXQNVJDXGMZYSU-QWHCGFSZSA-N 2 2 285.388 -0.720 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)N[C@H]2CCCC[N@@H+](CCO)C2)C1 ZINC001034149209 799816236 /nfs/dbraw/zinc/81/62/36/799816236.db2.gz TXQNVJDXGMZYSU-QWHCGFSZSA-N 2 2 285.388 -0.720 20 0 CBADLP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CC(N)=O)C1 ZINC001034272830 799827337 /nfs/dbraw/zinc/82/73/37/799827337.db2.gz WYOCQACAIVCHDN-QWHCGFSZSA-N 2 2 296.415 -0.073 20 0 CBADLP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CC(N)=O)C1 ZINC001034272830 799827346 /nfs/dbraw/zinc/82/73/46/799827346.db2.gz WYOCQACAIVCHDN-QWHCGFSZSA-N 2 2 296.415 -0.073 20 0 CBADLP C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](CC(N)=O)C1 ZINC001034272830 799827355 /nfs/dbraw/zinc/82/73/55/799827355.db2.gz WYOCQACAIVCHDN-QWHCGFSZSA-N 2 2 296.415 -0.073 20 0 CBADLP C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](CC(N)=O)C1 ZINC001034272830 799827364 /nfs/dbraw/zinc/82/73/64/799827364.db2.gz WYOCQACAIVCHDN-QWHCGFSZSA-N 2 2 296.415 -0.073 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001034528061 799844603 /nfs/dbraw/zinc/84/46/03/799844603.db2.gz JCBYHSNCMLANQT-QWHCGFSZSA-N 2 2 296.415 -0.073 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001034528061 799844607 /nfs/dbraw/zinc/84/46/07/799844607.db2.gz JCBYHSNCMLANQT-QWHCGFSZSA-N 2 2 296.415 -0.073 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CCCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001034546461 799846911 /nfs/dbraw/zinc/84/69/11/799846911.db2.gz DQHXCFUBYADYBS-VXGBXAGGSA-N 2 2 293.371 -0.272 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CCCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001034546461 799846913 /nfs/dbraw/zinc/84/69/13/799846913.db2.gz DQHXCFUBYADYBS-VXGBXAGGSA-N 2 2 293.371 -0.272 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CC[C@H]([NH2+]CCO)CC1 ZINC001034764711 799855961 /nfs/dbraw/zinc/85/59/61/799855961.db2.gz WQJXIUHEXWYABE-XYPYZODXSA-N 2 2 266.345 -0.039 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N1CCC[C@@H]1C[NH2+][C@H]1CCNC1=O ZINC001035086343 799868288 /nfs/dbraw/zinc/86/82/88/799868288.db2.gz LXBWXHTUKLWKTR-MNOVXSKESA-N 2 2 291.355 -0.579 20 0 CBADLP CC(C)[N@@H+]1CCO[C@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001035325492 799892453 /nfs/dbraw/zinc/89/24/53/799892453.db2.gz BDPGCHRDWHZFBB-CHWSQXEVSA-N 2 2 285.388 -0.458 20 0 CBADLP CC(C)[N@H+]1CCO[C@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001035325492 799892459 /nfs/dbraw/zinc/89/24/59/799892459.db2.gz BDPGCHRDWHZFBB-CHWSQXEVSA-N 2 2 285.388 -0.458 20 0 CBADLP CC(C)[NH+]1CCO[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001035325492 799892465 /nfs/dbraw/zinc/89/24/65/799892465.db2.gz BDPGCHRDWHZFBB-CHWSQXEVSA-N 2 2 285.388 -0.458 20 0 CBADLP CC(C)[NH+]1CCO[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001035325492 799892472 /nfs/dbraw/zinc/89/24/72/799892472.db2.gz BDPGCHRDWHZFBB-CHWSQXEVSA-N 2 2 285.388 -0.458 20 0 CBADLP CCCC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001035327720 799892999 /nfs/dbraw/zinc/89/29/99/799892999.db2.gz MXRUUONXRMPRBX-KGLIPLIRSA-N 2 2 299.415 -0.066 20 0 CBADLP CCCC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001035327720 799893006 /nfs/dbraw/zinc/89/30/06/799893006.db2.gz MXRUUONXRMPRBX-KGLIPLIRSA-N 2 2 299.415 -0.066 20 0 CBADLP CCCC[NH+]1CCO[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001035327720 799893013 /nfs/dbraw/zinc/89/30/13/799893013.db2.gz MXRUUONXRMPRBX-KGLIPLIRSA-N 2 2 299.415 -0.066 20 0 CBADLP CCCC[NH+]1CCO[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001035327720 799893020 /nfs/dbraw/zinc/89/30/20/799893020.db2.gz MXRUUONXRMPRBX-KGLIPLIRSA-N 2 2 299.415 -0.066 20 0 CBADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[NH+](CCO)CCO1 ZINC001035360804 799906224 /nfs/dbraw/zinc/90/62/24/799906224.db2.gz GWAXYXYCAAEQBV-UONOGXRCSA-N 2 2 299.415 -0.332 20 0 CBADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[NH+](CCO)CCO1 ZINC001035360804 799906228 /nfs/dbraw/zinc/90/62/28/799906228.db2.gz GWAXYXYCAAEQBV-UONOGXRCSA-N 2 2 299.415 -0.332 20 0 CBADLP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001035360804 799906233 /nfs/dbraw/zinc/90/62/33/799906233.db2.gz GWAXYXYCAAEQBV-UONOGXRCSA-N 2 2 299.415 -0.332 20 0 CBADLP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001035360804 799906239 /nfs/dbraw/zinc/90/62/39/799906239.db2.gz GWAXYXYCAAEQBV-UONOGXRCSA-N 2 2 299.415 -0.332 20 0 CBADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@H]1[NH2+]CCO ZINC001036241336 799984077 /nfs/dbraw/zinc/98/40/77/799984077.db2.gz RGIZNSXXYKHBNB-GHMZBOCLSA-N 2 2 266.345 -0.229 20 0 CBADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[C@H]1[NH2+]CC(N)=O ZINC001036251259 799984259 /nfs/dbraw/zinc/98/42/59/799984259.db2.gz BZJGIOWZXYPIJU-ZYHUDNBSSA-N 2 2 293.371 -0.726 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]([NH2+]CC(N)=O)[C@H](C)C1 ZINC001036276206 799985198 /nfs/dbraw/zinc/98/51/98/799985198.db2.gz RZIQCQKLXBJZNZ-KOLCDFICSA-N 2 2 293.371 -0.427 20 0 CBADLP C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@H]1[NH2+]CC(N)=O ZINC001036312004 799987048 /nfs/dbraw/zinc/98/70/48/799987048.db2.gz DYTDBSNGWHQWQW-WDEREUQCSA-N 2 2 279.344 -0.805 20 0 CBADLP NC(=O)C[N@@H+]1CC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[C@H]21 ZINC001036829735 800010403 /nfs/dbraw/zinc/01/04/03/800010403.db2.gz KMUSJFLFLJEZCL-CMPLNLGQSA-N 2 2 291.355 -0.640 20 0 CBADLP NC(=O)C[N@H+]1CC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[C@H]21 ZINC001036829735 800010407 /nfs/dbraw/zinc/01/04/07/800010407.db2.gz KMUSJFLFLJEZCL-CMPLNLGQSA-N 2 2 291.355 -0.640 20 0 CBADLP NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[C@H]21 ZINC001036829738 800010623 /nfs/dbraw/zinc/01/06/23/800010623.db2.gz KMUSJFLFLJEZCL-ZYHUDNBSSA-N 2 2 291.355 -0.640 20 0 CBADLP NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[C@H]21 ZINC001036829738 800010631 /nfs/dbraw/zinc/01/06/31/800010631.db2.gz KMUSJFLFLJEZCL-ZYHUDNBSSA-N 2 2 291.355 -0.640 20 0 CBADLP NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@@H]21 ZINC001036908687 800013861 /nfs/dbraw/zinc/01/38/61/800013861.db2.gz RGJKYWLUTXXFJW-NEPJUHHUSA-N 2 2 291.355 -0.709 20 0 CBADLP NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@@H]21 ZINC001036908687 800013870 /nfs/dbraw/zinc/01/38/70/800013870.db2.gz RGJKYWLUTXXFJW-NEPJUHHUSA-N 2 2 291.355 -0.709 20 0 CBADLP CC[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@@H]1[NH2+]CC(N)=O ZINC001037933016 800025285 /nfs/dbraw/zinc/02/52/85/800025285.db2.gz KEDWSCOPZVAMER-PWSUYJOCSA-N 2 2 293.371 -0.346 20 0 CBADLP CC[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@H]1[NH2+]CC(N)=O ZINC001037941647 800025706 /nfs/dbraw/zinc/02/57/06/800025706.db2.gz GEBBREJMBYAXKR-GHMZBOCLSA-N 2 2 293.371 -0.346 20 0 CBADLP COCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001038116978 800056366 /nfs/dbraw/zinc/05/63/66/800056366.db2.gz MXWDYQONJVSGRE-NWDGAFQWSA-N 2 2 255.362 -0.083 20 0 CBADLP COCC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001038116978 800056379 /nfs/dbraw/zinc/05/63/79/800056379.db2.gz MXWDYQONJVSGRE-NWDGAFQWSA-N 2 2 255.362 -0.083 20 0 CBADLP COCC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001038116978 800056387 /nfs/dbraw/zinc/05/63/87/800056387.db2.gz MXWDYQONJVSGRE-NWDGAFQWSA-N 2 2 255.362 -0.083 20 0 CBADLP COCC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001038116978 800056394 /nfs/dbraw/zinc/05/63/94/800056394.db2.gz MXWDYQONJVSGRE-NWDGAFQWSA-N 2 2 255.362 -0.083 20 0 CBADLP CN(C)C(=O)C[N@@H+]1CC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001038663698 801234050 /nfs/dbraw/zinc/23/40/50/801234050.db2.gz QQUSAECVUUHGRY-CYBMUJFWSA-N 2 2 296.415 -0.393 20 0 CBADLP CN(C)C(=O)C[N@H+]1CC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001038663698 801234056 /nfs/dbraw/zinc/23/40/56/801234056.db2.gz QQUSAECVUUHGRY-CYBMUJFWSA-N 2 2 296.415 -0.393 20 0 CBADLP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CC[NH+]2CC(=O)N2CCC2)C1 ZINC001039020427 801280637 /nfs/dbraw/zinc/28/06/37/801280637.db2.gz ZGPAKTSYIWLFCL-STQMWFEESA-N 2 2 294.399 -0.639 20 0 CBADLP C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CC[NH+]2CC(=O)N2CCC2)C1 ZINC001039020427 801280641 /nfs/dbraw/zinc/28/06/41/801280641.db2.gz ZGPAKTSYIWLFCL-STQMWFEESA-N 2 2 294.399 -0.639 20 0 CBADLP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CC[N@@H+]2CC(=O)N2CCC2)C1 ZINC001039020427 801280648 /nfs/dbraw/zinc/28/06/48/801280648.db2.gz ZGPAKTSYIWLFCL-STQMWFEESA-N 2 2 294.399 -0.639 20 0 CBADLP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CC[N@H+]2CC(=O)N2CCC2)C1 ZINC001039020427 801280655 /nfs/dbraw/zinc/28/06/55/801280655.db2.gz ZGPAKTSYIWLFCL-STQMWFEESA-N 2 2 294.399 -0.639 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CC[NH+]2CCCO)C1 ZINC001039041437 801284068 /nfs/dbraw/zinc/28/40/68/801284068.db2.gz YKKOGKPBLFPRJH-QWHCGFSZSA-N 2 2 285.388 -0.720 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CC[NH+]2CCCO)C1 ZINC001039041437 801284071 /nfs/dbraw/zinc/28/40/71/801284071.db2.gz YKKOGKPBLFPRJH-QWHCGFSZSA-N 2 2 285.388 -0.720 20 0 CBADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CC[N@@H+]2CCCO)C1 ZINC001039041437 801284074 /nfs/dbraw/zinc/28/40/74/801284074.db2.gz YKKOGKPBLFPRJH-QWHCGFSZSA-N 2 2 285.388 -0.720 20 0 CBADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CC[N@H+]2CCCO)C1 ZINC001039041437 801284077 /nfs/dbraw/zinc/28/40/77/801284077.db2.gz YKKOGKPBLFPRJH-QWHCGFSZSA-N 2 2 285.388 -0.720 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCO ZINC001040021177 801306749 /nfs/dbraw/zinc/30/67/49/801306749.db2.gz KHAMDQMEWNVWOO-BETUJISGSA-N 2 2 278.356 -0.059 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCO ZINC001040021177 801306755 /nfs/dbraw/zinc/30/67/55/801306755.db2.gz KHAMDQMEWNVWOO-BETUJISGSA-N 2 2 278.356 -0.059 20 0 CBADLP NC(=O)C[N@@H+]1CC[C@@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001041712311 801416025 /nfs/dbraw/zinc/41/60/25/801416025.db2.gz MWWCURYMRYNKLT-CQSZACIVSA-N 2 2 291.355 -0.638 20 0 CBADLP NC(=O)C[N@H+]1CC[C@@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001041712311 801416027 /nfs/dbraw/zinc/41/60/27/801416027.db2.gz MWWCURYMRYNKLT-CQSZACIVSA-N 2 2 291.355 -0.638 20 0 CBADLP CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1C[NH+](C[C@@H]2CCOC2)C1 ZINC001042569436 801491488 /nfs/dbraw/zinc/49/14/88/801491488.db2.gz DVCQVZAZYINPBT-JSGCOSHPSA-N 2 2 297.399 -0.504 20 0 CBADLP CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1C[NH+](C[C@@H]2CCOC2)C1 ZINC001042569436 801491492 /nfs/dbraw/zinc/49/14/92/801491492.db2.gz DVCQVZAZYINPBT-JSGCOSHPSA-N 2 2 297.399 -0.504 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2C[NH+](CCCO)C2)O1 ZINC001043066584 801539043 /nfs/dbraw/zinc/53/90/43/801539043.db2.gz DDRGRZXWPVLTDK-DGCLKSJQSA-N 2 2 285.388 -0.770 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2C[NH+](CCCO)C2)O1 ZINC001043066584 801539048 /nfs/dbraw/zinc/53/90/48/801539048.db2.gz DDRGRZXWPVLTDK-DGCLKSJQSA-N 2 2 285.388 -0.770 20 0 CBADLP C[C@H](O)C[NH+]1CC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001043099873 801541335 /nfs/dbraw/zinc/54/13/35/801541335.db2.gz RBFOQPFIUBJYSR-AAEUAGOBSA-N 2 2 269.389 -0.006 20 0 CBADLP C[C@H](O)C[NH+]1CC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001043099873 801541339 /nfs/dbraw/zinc/54/13/39/801541339.db2.gz RBFOQPFIUBJYSR-AAEUAGOBSA-N 2 2 269.389 -0.006 20 0 CBADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N(C)C2C[NH+](C[C@H](C)O)C2)C1 ZINC001043629006 801578900 /nfs/dbraw/zinc/57/89/00/801578900.db2.gz NIHAKUZIJKMRFH-GXTWGEPZSA-N 2 2 299.415 -0.381 20 0 CBADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N(C)C2C[NH+](C[C@H](C)O)C2)C1 ZINC001043629006 801578909 /nfs/dbraw/zinc/57/89/09/801578909.db2.gz NIHAKUZIJKMRFH-GXTWGEPZSA-N 2 2 299.415 -0.381 20 0 CBADLP CC(C)[N@H+]1CCO[C@H](C(=O)N(C)C2C[NH+](C[C@@H](C)O)C2)C1 ZINC001043629008 801580941 /nfs/dbraw/zinc/58/09/41/801580941.db2.gz NIHAKUZIJKMRFH-OCCSQVGLSA-N 2 2 299.415 -0.381 20 0 CBADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N(C)C2C[NH+](C[C@@H](C)O)C2)C1 ZINC001043629008 801580943 /nfs/dbraw/zinc/58/09/43/801580943.db2.gz NIHAKUZIJKMRFH-OCCSQVGLSA-N 2 2 299.415 -0.381 20 0 CBADLP C[C@@H](O)C[NH+]1CC(N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001043875803 801599917 /nfs/dbraw/zinc/59/99/17/801599917.db2.gz NFHCVPUFKLRHFA-VXGBXAGGSA-N 2 2 269.389 -0.148 20 0 CBADLP C[C@@H](O)C[NH+]1CC(N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001043875803 801599923 /nfs/dbraw/zinc/59/99/23/801599923.db2.gz NFHCVPUFKLRHFA-VXGBXAGGSA-N 2 2 269.389 -0.148 20 0 CBADLP C[C@@H](O)C[NH+]1CC(N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001044294504 801637333 /nfs/dbraw/zinc/63/73/33/801637333.db2.gz BMXZACQRVVYTQR-LLVKDONJSA-N 2 2 255.362 -0.394 20 0 CBADLP C[C@@H]1C[C@@H]([NH2+]CC(N)=O)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001044579580 801658208 /nfs/dbraw/zinc/65/82/08/801658208.db2.gz JEOSFWBAESFAOH-MNOVXSKESA-N 2 2 293.371 -0.203 20 0 CBADLP C[C@@H]1C[C@@H]([NH2+]CC(N)=O)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001044750460 801667472 /nfs/dbraw/zinc/66/74/72/801667472.db2.gz OQNYJFRQADMXPU-ZJUUUORDSA-N 2 2 279.344 -0.593 20 0 CBADLP C[C@H]1C[C@H]([NH2+]CC(N)=O)CCN1C(=O)Cc1c[nH+]cn1C ZINC001044819280 801671885 /nfs/dbraw/zinc/67/18/85/801671885.db2.gz JVNHPCKDDCJEFM-WDEREUQCSA-N 2 2 293.371 -0.583 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001046191049 801736440 /nfs/dbraw/zinc/73/64/40/801736440.db2.gz YNCIXIBBUIOHAI-BXUZGUMPSA-N 2 2 282.388 -0.593 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001046191049 801736448 /nfs/dbraw/zinc/73/64/48/801736448.db2.gz YNCIXIBBUIOHAI-BXUZGUMPSA-N 2 2 282.388 -0.593 20 0 CBADLP CNC(=O)C[NH+]1CC[C@@](C)(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001046191049 801736452 /nfs/dbraw/zinc/73/64/52/801736452.db2.gz YNCIXIBBUIOHAI-BXUZGUMPSA-N 2 2 282.388 -0.593 20 0 CBADLP CNC(=O)C[NH+]1CC[C@@](C)(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001046191049 801736459 /nfs/dbraw/zinc/73/64/59/801736459.db2.gz YNCIXIBBUIOHAI-BXUZGUMPSA-N 2 2 282.388 -0.593 20 0 CBADLP CC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001046218853 801740892 /nfs/dbraw/zinc/74/08/92/801740892.db2.gz LWRRUXXRRONLPG-DGCLKSJQSA-N 2 2 255.362 -0.083 20 0 CBADLP CC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001046218853 801740895 /nfs/dbraw/zinc/74/08/95/801740895.db2.gz LWRRUXXRRONLPG-DGCLKSJQSA-N 2 2 255.362 -0.083 20 0 CBADLP CC[NH+]1CC[C@@](C)(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001046218853 801740897 /nfs/dbraw/zinc/74/08/97/801740897.db2.gz LWRRUXXRRONLPG-DGCLKSJQSA-N 2 2 255.362 -0.083 20 0 CBADLP CC[NH+]1CC[C@@](C)(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001046218853 801740898 /nfs/dbraw/zinc/74/08/98/801740898.db2.gz LWRRUXXRRONLPG-DGCLKSJQSA-N 2 2 255.362 -0.083 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N[C@]2(C)CC[NH+](CCCO)C2)C1 ZINC001046216365 801741888 /nfs/dbraw/zinc/74/18/88/801741888.db2.gz AZWAOIMEEKIRKN-GXTWGEPZSA-N 2 2 285.388 -0.720 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N[C@]2(C)CC[NH+](CCCO)C2)C1 ZINC001046216365 801741891 /nfs/dbraw/zinc/74/18/91/801741891.db2.gz AZWAOIMEEKIRKN-GXTWGEPZSA-N 2 2 285.388 -0.720 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N[C@]2(C)CC[N@H+](CCCO)C2)C1 ZINC001046216365 801741893 /nfs/dbraw/zinc/74/18/93/801741893.db2.gz AZWAOIMEEKIRKN-GXTWGEPZSA-N 2 2 285.388 -0.720 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N[C@]2(C)CC[N@@H+](CCCO)C2)C1 ZINC001046216365 801741897 /nfs/dbraw/zinc/74/18/97/801741897.db2.gz AZWAOIMEEKIRKN-GXTWGEPZSA-N 2 2 285.388 -0.720 20 0 CBADLP COCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001046215007 801741944 /nfs/dbraw/zinc/74/19/44/801741944.db2.gz KPXYWHBVTFHXLF-GXTWGEPZSA-N 2 2 285.388 -0.456 20 0 CBADLP COCC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001046215007 801741948 /nfs/dbraw/zinc/74/19/48/801741948.db2.gz KPXYWHBVTFHXLF-GXTWGEPZSA-N 2 2 285.388 -0.456 20 0 CBADLP COCC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001046215007 801741952 /nfs/dbraw/zinc/74/19/52/801741952.db2.gz KPXYWHBVTFHXLF-GXTWGEPZSA-N 2 2 285.388 -0.456 20 0 CBADLP COCC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001046215007 801741957 /nfs/dbraw/zinc/74/19/57/801741957.db2.gz KPXYWHBVTFHXLF-GXTWGEPZSA-N 2 2 285.388 -0.456 20 0 CBADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@]1(C)CC[NH+](CC(N)=O)C1 ZINC001046315003 801752928 /nfs/dbraw/zinc/75/29/28/801752928.db2.gz HPUZVKDAZNZZRU-SWLSCSKDSA-N 2 2 296.415 -0.075 20 0 CBADLP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@]1(C)CC[NH+](CC(N)=O)C1 ZINC001046315003 801752935 /nfs/dbraw/zinc/75/29/35/801752935.db2.gz HPUZVKDAZNZZRU-SWLSCSKDSA-N 2 2 296.415 -0.075 20 0 CBADLP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@]1(C)CC[N@H+](CC(N)=O)C1 ZINC001046315003 801752941 /nfs/dbraw/zinc/75/29/41/801752941.db2.gz HPUZVKDAZNZZRU-SWLSCSKDSA-N 2 2 296.415 -0.075 20 0 CBADLP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@]1(C)CC[N@@H+](CC(N)=O)C1 ZINC001046315003 801752951 /nfs/dbraw/zinc/75/29/51/801752951.db2.gz HPUZVKDAZNZZRU-SWLSCSKDSA-N 2 2 296.415 -0.075 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCO)C2 ZINC001047181297 801810254 /nfs/dbraw/zinc/81/02/54/801810254.db2.gz JKKLDQXDCVYBPH-XQQFMLRXSA-N 2 2 292.383 -0.076 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCO)C2 ZINC001047181297 801810259 /nfs/dbraw/zinc/81/02/59/801810259.db2.gz JKKLDQXDCVYBPH-XQQFMLRXSA-N 2 2 292.383 -0.076 20 0 CBADLP CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001047435306 801871567 /nfs/dbraw/zinc/87/15/67/801871567.db2.gz IGRPBUWMLMTOBA-AVGNSLFASA-N 2 2 292.383 -0.031 20 0 CBADLP CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001047435306 801871571 /nfs/dbraw/zinc/87/15/71/801871571.db2.gz IGRPBUWMLMTOBA-AVGNSLFASA-N 2 2 292.383 -0.031 20 0 CBADLP CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001047436262 801871942 /nfs/dbraw/zinc/87/19/42/801871942.db2.gz VMTJXCYCBCIZHN-XBFCOCLRSA-N 2 2 292.383 -0.031 20 0 CBADLP CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001047436262 801871947 /nfs/dbraw/zinc/87/19/47/801871947.db2.gz VMTJXCYCBCIZHN-XBFCOCLRSA-N 2 2 292.383 -0.031 20 0 CBADLP CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001047439839 801872047 /nfs/dbraw/zinc/87/20/47/801872047.db2.gz TYHXAASHPGCQGB-STQMWFEESA-N 2 2 296.371 -0.127 20 0 CBADLP CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001047439839 801872052 /nfs/dbraw/zinc/87/20/52/801872052.db2.gz TYHXAASHPGCQGB-STQMWFEESA-N 2 2 296.371 -0.127 20 0 CBADLP COC[C@@H](C)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001047545334 801896924 /nfs/dbraw/zinc/89/69/24/801896924.db2.gz QOUUMPUBLQNVSJ-WXHSDQCUSA-N 2 2 296.371 -0.509 20 0 CBADLP CC1CC[NH+](CC(=O)N(C)[C@H]2C[N@H+](CCO)C[C@@H]2O)CC1 ZINC001047577651 801905417 /nfs/dbraw/zinc/90/54/17/801905417.db2.gz UFIXLFRQTZZFQC-KBPBESRZSA-N 2 2 299.415 -0.786 20 0 CBADLP CC1CC[NH+](CC(=O)N(C)[C@H]2C[N@@H+](CCO)C[C@@H]2O)CC1 ZINC001047577651 801905420 /nfs/dbraw/zinc/90/54/20/801905420.db2.gz UFIXLFRQTZZFQC-KBPBESRZSA-N 2 2 299.415 -0.786 20 0 CBADLP CN(C(=O)C12CC[NH+](CC1)C2)[C@H]1C[N@H+](CCF)C[C@@H]1O ZINC001047598515 801909402 /nfs/dbraw/zinc/90/94/02/801909402.db2.gz MOWXLRVBBTYXRL-RYUDHWBXSA-N 2 2 285.363 -0.445 20 0 CBADLP CN(C(=O)C12CC[NH+](CC1)C2)[C@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001047598515 801909406 /nfs/dbraw/zinc/90/94/06/801909406.db2.gz MOWXLRVBBTYXRL-RYUDHWBXSA-N 2 2 285.363 -0.445 20 0 CBADLP CC(C)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001047646912 801916927 /nfs/dbraw/zinc/91/69/27/801916927.db2.gz PLJMWWGIJWUAIG-RYUDHWBXSA-N 2 2 266.345 -0.205 20 0 CBADLP CC(C)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001047646912 801916930 /nfs/dbraw/zinc/91/69/30/801916930.db2.gz PLJMWWGIJWUAIG-RYUDHWBXSA-N 2 2 266.345 -0.205 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1C[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2C1 ZINC001049131383 802001395 /nfs/dbraw/zinc/00/13/95/802001395.db2.gz JWIQFJNQVUNKDI-MXWKQRLJSA-N 2 2 291.355 -0.784 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2C1 ZINC001049131383 802001401 /nfs/dbraw/zinc/00/14/01/802001401.db2.gz JWIQFJNQVUNKDI-MXWKQRLJSA-N 2 2 291.355 -0.784 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2C1 ZINC001049217371 802009037 /nfs/dbraw/zinc/00/90/37/802009037.db2.gz PSFVORWODHNIMF-TXEJJXNPSA-N 2 2 291.355 -0.933 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2C1 ZINC001049217371 802009041 /nfs/dbraw/zinc/00/90/41/802009041.db2.gz PSFVORWODHNIMF-TXEJJXNPSA-N 2 2 291.355 -0.933 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H]3[C@H]2CC[NH+]3CCO)C1 ZINC001049391346 802019266 /nfs/dbraw/zinc/01/92/66/802019266.db2.gz KBCHTNMTEZCDLH-MCIONIFRSA-N 2 2 297.399 -0.625 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H]3[C@H]2CC[NH+]3CCO)C1 ZINC001049391346 802019272 /nfs/dbraw/zinc/01/92/72/802019272.db2.gz KBCHTNMTEZCDLH-MCIONIFRSA-N 2 2 297.399 -0.625 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3CCO)C1 ZINC001049391346 802019279 /nfs/dbraw/zinc/01/92/79/802019279.db2.gz KBCHTNMTEZCDLH-MCIONIFRSA-N 2 2 297.399 -0.625 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3CCO)C1 ZINC001049391346 802019287 /nfs/dbraw/zinc/01/92/87/802019287.db2.gz KBCHTNMTEZCDLH-MCIONIFRSA-N 2 2 297.399 -0.625 20 0 CBADLP NC(=O)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+]1CCCC1 ZINC001049896306 802042283 /nfs/dbraw/zinc/04/22/83/802042283.db2.gz MXGMLYLWJPNDDO-OLZOCXBDSA-N 2 2 294.399 -0.367 20 0 CBADLP NC(=O)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+]1CCCC1 ZINC001049896306 802042293 /nfs/dbraw/zinc/04/22/93/802042293.db2.gz MXGMLYLWJPNDDO-OLZOCXBDSA-N 2 2 294.399 -0.367 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCO ZINC001049928997 802043815 /nfs/dbraw/zinc/04/38/15/802043815.db2.gz XXBQYHXGOICMGT-STQMWFEESA-N 2 2 278.356 -0.059 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCO ZINC001049928997 802043819 /nfs/dbraw/zinc/04/38/19/802043819.db2.gz XXBQYHXGOICMGT-STQMWFEESA-N 2 2 278.356 -0.059 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]2C[NH+](CC(N)=O)C[C@H]21 ZINC001049996373 802047911 /nfs/dbraw/zinc/04/79/11/802047911.db2.gz YEEDZKCBCHWCNR-RWMBFGLXSA-N 2 2 294.399 -0.511 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]2C[NH+](CC(N)=O)C[C@H]21 ZINC001049996373 802047919 /nfs/dbraw/zinc/04/79/19/802047919.db2.gz YEEDZKCBCHWCNR-RWMBFGLXSA-N 2 2 294.399 -0.511 20 0 CBADLP C[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001049996373 802047927 /nfs/dbraw/zinc/04/79/27/802047927.db2.gz YEEDZKCBCHWCNR-RWMBFGLXSA-N 2 2 294.399 -0.511 20 0 CBADLP C[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001049996373 802047931 /nfs/dbraw/zinc/04/79/31/802047931.db2.gz YEEDZKCBCHWCNR-RWMBFGLXSA-N 2 2 294.399 -0.511 20 0 CBADLP NC(=O)C[N@@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001050203755 802057723 /nfs/dbraw/zinc/05/77/23/802057723.db2.gz KZMYIWGCXCRWRM-QWHCGFSZSA-N 2 2 294.399 -0.510 20 0 CBADLP NC(=O)C[N@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001050203755 802057728 /nfs/dbraw/zinc/05/77/28/802057728.db2.gz KZMYIWGCXCRWRM-QWHCGFSZSA-N 2 2 294.399 -0.510 20 0 CBADLP CC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CCO1 ZINC001051903701 802171633 /nfs/dbraw/zinc/17/16/33/802171633.db2.gz UXVDULXFTAVBER-GFCCVEGCSA-N 2 2 266.345 -0.201 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[N@H+](CC(N)=O)CC1 ZINC001052563576 802205335 /nfs/dbraw/zinc/20/53/35/802205335.db2.gz VLLYAQGSMKHHFD-LBPRGKRZSA-N 2 2 293.371 -0.352 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[N@@H+](CC(N)=O)CC1 ZINC001052563576 802205369 /nfs/dbraw/zinc/20/53/69/802205369.db2.gz VLLYAQGSMKHHFD-LBPRGKRZSA-N 2 2 293.371 -0.352 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@H]1CCC[N@@H+](CCO)CC1 ZINC001052970683 802226829 /nfs/dbraw/zinc/22/68/29/802226829.db2.gz TYAKJSPMAFPUAB-LBPRGKRZSA-N 2 2 266.345 -0.154 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@H]1CCC[N@H+](CCO)CC1 ZINC001052970683 802226836 /nfs/dbraw/zinc/22/68/36/802226836.db2.gz TYAKJSPMAFPUAB-LBPRGKRZSA-N 2 2 266.345 -0.154 20 0 CBADLP C[C@@H]1[C@H](C(=O)N[C@H]2COC3(C[NH+](CCO)C3)C2)CC[N@@H+]1C ZINC001053806643 802297664 /nfs/dbraw/zinc/29/76/64/802297664.db2.gz NOLNUIUFSYRWNQ-JHJVBQTASA-N 2 2 297.399 -0.722 20 0 CBADLP C[C@@H]1[C@H](C(=O)N[C@H]2COC3(C[NH+](CCO)C3)C2)CC[N@H+]1C ZINC001053806643 802297669 /nfs/dbraw/zinc/29/76/69/802297669.db2.gz NOLNUIUFSYRWNQ-JHJVBQTASA-N 2 2 297.399 -0.722 20 0 CBADLP C[NH+]1CCC(C(=O)N[C@H]2COC3(C[NH+](CCO)C3)C2)CC1 ZINC001053912919 802310503 /nfs/dbraw/zinc/31/05/03/802310503.db2.gz JRQXMWCXIXZMBD-CYBMUJFWSA-N 2 2 297.399 -0.720 20 0 CBADLP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1COC2(C[NH+](CCO)C2)C1 ZINC001053927250 802311838 /nfs/dbraw/zinc/31/18/38/802311838.db2.gz WLZVBCSBOSXBOC-CHWSQXEVSA-N 2 2 297.399 -0.578 20 0 CBADLP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1COC2(C[NH+](CCO)C2)C1 ZINC001053927250 802311846 /nfs/dbraw/zinc/31/18/46/802311846.db2.gz WLZVBCSBOSXBOC-CHWSQXEVSA-N 2 2 297.399 -0.578 20 0 CBADLP C[C@H](O)C[NH+]1CC2(C1)C[C@H](NC(=O)C[NH+]1CCCC1)CO2 ZINC001054009341 802322456 /nfs/dbraw/zinc/32/24/56/802322456.db2.gz UPNIPAJGXLAPFM-STQMWFEESA-N 2 2 297.399 -0.578 20 0 CBADLP COCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)CO2 ZINC001054007359 802323888 /nfs/dbraw/zinc/32/38/88/802323888.db2.gz CTNFNQVXIMPQAI-STQMWFEESA-N 2 2 297.399 -0.456 20 0 CBADLP COCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)CO2 ZINC001054007359 802323894 /nfs/dbraw/zinc/32/38/94/802323894.db2.gz CTNFNQVXIMPQAI-STQMWFEESA-N 2 2 297.399 -0.456 20 0 CBADLP C[C@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1[NH2+]CC(N)=O ZINC001054925020 802378571 /nfs/dbraw/zinc/37/85/71/802378571.db2.gz KHCJMKAUFAKERF-QWRGUYRKSA-N 2 2 293.371 -0.726 20 0 CBADLP C[C@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1[NH2+]CCO ZINC001054927662 802379284 /nfs/dbraw/zinc/37/92/84/802379284.db2.gz MIYVMQONDHCKAG-RYUDHWBXSA-N 2 2 280.372 -0.219 20 0 CBADLP C[C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1[NH2+]CCO ZINC001054951284 802380303 /nfs/dbraw/zinc/38/03/03/802380303.db2.gz LCGUSMNLOVBNAN-NWDGAFQWSA-N 2 2 266.345 -0.298 20 0 CBADLP Cc1[nH+]ccn1CC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001118146512 812479134 /nfs/dbraw/zinc/47/91/34/812479134.db2.gz AFXFKIVEUIENAH-CQSZACIVSA-N 3 2 281.404 -0.611 20 0 CBADLP [NH3+]C[C@@H]1C[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@@H]1C(F)(F)F ZINC001119618770 812837038 /nfs/dbraw/zinc/83/70/38/812837038.db2.gz RGRCZFKPDGKIFH-MBGOZMDMSA-N 3 2 267.295 -0.094 20 0 CBADLP [NH3+]C[C@@H]1C[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@@H]1C(F)(F)F ZINC001119618770 812837049 /nfs/dbraw/zinc/83/70/49/812837049.db2.gz RGRCZFKPDGKIFH-MBGOZMDMSA-N 3 2 267.295 -0.094 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)COCC[NH3+] ZINC001122526060 813173455 /nfs/dbraw/zinc/17/34/55/813173455.db2.gz PONMWBVZZLDDDG-LLVKDONJSA-N 2 2 259.350 -0.859 20 0 CBADLP CC[C@@H](C(=O)NCC[NH2+]Cc1nc(COC)no1)[NH+](C)C ZINC001133982956 814333141 /nfs/dbraw/zinc/33/31/41/814333141.db2.gz QGKITBBIQKSGMN-JTQLQIEISA-N 2 2 299.375 -0.238 20 0 CBADLP Cn1[nH]c(C[NH2+]CCNC(=O)CCCC[NH+](C)C)nc1=O ZINC001148360397 814939820 /nfs/dbraw/zinc/93/98/20/814939820.db2.gz SMCJGPDXSBFDAE-UHFFFAOYSA-N 2 2 298.391 -0.954 20 0 CBADLP C[C@H](C[NH2+]CCO)NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001321627764 803792475 /nfs/dbraw/zinc/79/24/75/803792475.db2.gz LVKHSXPDYZQSMP-TZMCWYRMSA-N 2 2 299.415 -0.284 20 0 CBADLP C[C@H](C[NH2+]CCO)NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001321627764 803792480 /nfs/dbraw/zinc/79/24/80/803792480.db2.gz LVKHSXPDYZQSMP-TZMCWYRMSA-N 2 2 299.415 -0.284 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+]CC(=O)N1CCC1 ZINC001149129414 814971160 /nfs/dbraw/zinc/97/11/60/814971160.db2.gz BMXPLVOMKZKNTI-UHFFFAOYSA-N 2 2 279.344 -0.801 20 0 CBADLP CCCCNC(=O)C[NH2+]CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001149124123 814971884 /nfs/dbraw/zinc/97/18/84/814971884.db2.gz QUVNKJSDCKSDFS-UHFFFAOYSA-N 2 2 295.387 -0.117 20 0 CBADLP CN(CCC[NH2+]Cc1ncnn1C)C(=O)Cn1cc[nH+]c1 ZINC001322855118 803948723 /nfs/dbraw/zinc/94/87/23/803948723.db2.gz ZECIXCHGKHPYSK-UHFFFAOYSA-N 2 2 291.359 -0.350 20 0 CBADLP C[C@@H](O)C[NH2+]C[C@H](NC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001323121182 803978985 /nfs/dbraw/zinc/97/89/85/803978985.db2.gz ABTHOPPZRANGJD-PWSUYJOCSA-N 2 2 266.345 -0.252 20 0 CBADLP C[C@@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001323280440 804002252 /nfs/dbraw/zinc/00/22/52/804002252.db2.gz YOHUCKJAHLKCCY-VXGBXAGGSA-N 2 2 266.345 -0.156 20 0 CBADLP C[C@@H](O)C[N@H+]1CC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001323280440 804002259 /nfs/dbraw/zinc/00/22/59/804002259.db2.gz YOHUCKJAHLKCCY-VXGBXAGGSA-N 2 2 266.345 -0.156 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)NCC1([NH2+]CCCO)CC1 ZINC001323459311 804030843 /nfs/dbraw/zinc/03/08/43/804030843.db2.gz HEMOFCHTYMOWDF-UHFFFAOYSA-N 2 2 266.345 -0.037 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)NCC1([NH2+]CCCO)CC1 ZINC001323459311 804030852 /nfs/dbraw/zinc/03/08/52/804030852.db2.gz HEMOFCHTYMOWDF-UHFFFAOYSA-N 2 2 266.345 -0.037 20 0 CBADLP C[C@H](C(=O)NCC[NH+]1CC=CC1)N1CC[NH+](C)CC1 ZINC001323484393 804032552 /nfs/dbraw/zinc/03/25/52/804032552.db2.gz YNHQGZISPJBZIE-CYBMUJFWSA-N 2 2 266.389 -0.390 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@H]1C[NH2+]CCCO ZINC001324262668 804128291 /nfs/dbraw/zinc/12/82/91/804128291.db2.gz YTEWQYRNFDGKAR-LBPRGKRZSA-N 2 2 280.372 -0.074 20 0 CBADLP C[NH+]1CCC(O)(CNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001324985329 804219549 /nfs/dbraw/zinc/21/95/49/804219549.db2.gz NQKFRRHNOJADMH-UHFFFAOYSA-N 2 2 266.345 -0.085 20 0 CBADLP C[NH+]1CCC(O)(CNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001324985329 804219557 /nfs/dbraw/zinc/21/95/57/804219557.db2.gz NQKFRRHNOJADMH-UHFFFAOYSA-N 2 2 266.345 -0.085 20 0 CBADLP CC(C)[NH+]1CC(O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001325247400 804265157 /nfs/dbraw/zinc/26/51/57/804265157.db2.gz UEXCPMOWPRDXBG-LLVKDONJSA-N 2 2 255.362 -0.348 20 0 CBADLP CC(C)[NH+]1CC(O)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001325247400 804265162 /nfs/dbraw/zinc/26/51/62/804265162.db2.gz UEXCPMOWPRDXBG-LLVKDONJSA-N 2 2 255.362 -0.348 20 0 CBADLP O=C(CCn1cc[nH+]c1)NC[C@@H]1C[N@H+](CCO)CCCO1 ZINC001150054440 815015903 /nfs/dbraw/zinc/01/59/03/815015903.db2.gz ULBQQZSECKCANB-CYBMUJFWSA-N 2 2 296.371 -0.527 20 0 CBADLP O=C(CCn1cc[nH+]c1)NC[C@@H]1C[N@@H+](CCO)CCCO1 ZINC001150054440 815015909 /nfs/dbraw/zinc/01/59/09/815015909.db2.gz ULBQQZSECKCANB-CYBMUJFWSA-N 2 2 296.371 -0.527 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H]1C[N@H+](CCO)CCCO1 ZINC001150380579 815027160 /nfs/dbraw/zinc/02/71/60/815027160.db2.gz VVZJZXKCIXMVPQ-LBPRGKRZSA-N 2 2 282.344 -0.848 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H]1C[N@@H+](CCO)CCCO1 ZINC001150380579 815027166 /nfs/dbraw/zinc/02/71/66/815027166.db2.gz VVZJZXKCIXMVPQ-LBPRGKRZSA-N 2 2 282.344 -0.848 20 0 CBADLP CC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001065675081 805092942 /nfs/dbraw/zinc/09/29/42/805092942.db2.gz KXSGUCNWJZGUDX-CQSZACIVSA-N 2 2 296.415 -0.297 20 0 CBADLP Cc1cnc(C[NH2+]CCNC(=O)[C@@H]2CC[N@@H+](C)C2)nc1 ZINC001151058091 815053829 /nfs/dbraw/zinc/05/38/29/815053829.db2.gz VWIWBSCTCUWJTE-GFCCVEGCSA-N 2 2 277.372 -0.057 20 0 CBADLP Cc1cnc(C[NH2+]CCNC(=O)[C@@H]2CC[N@H+](C)C2)nc1 ZINC001151058091 815053838 /nfs/dbraw/zinc/05/38/38/815053838.db2.gz VWIWBSCTCUWJTE-GFCCVEGCSA-N 2 2 277.372 -0.057 20 0 CBADLP CC[N@@H+]1CCNC(=O)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001071020747 805208554 /nfs/dbraw/zinc/20/85/54/805208554.db2.gz SQTXOQKTGBXBRU-UHFFFAOYSA-N 2 2 296.415 -0.247 20 0 CBADLP CC[N@H+]1CCNC(=O)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001071020747 805208561 /nfs/dbraw/zinc/20/85/61/805208561.db2.gz SQTXOQKTGBXBRU-UHFFFAOYSA-N 2 2 296.415 -0.247 20 0 CBADLP Cc1nonc1C[NH2+]CCNC(=O)C[NH+]1CCCC1 ZINC001151096676 815060036 /nfs/dbraw/zinc/06/00/36/815060036.db2.gz DNTMBFXXFPMCGW-UHFFFAOYSA-N 2 2 267.333 -0.320 20 0 CBADLP O=C(C[NH+]1CCCC1)NCC[NH2+]Cc1csnn1 ZINC001151097324 815060294 /nfs/dbraw/zinc/06/02/94/815060294.db2.gz NLVXCOHZHGBIQP-UHFFFAOYSA-N 2 2 269.374 -0.160 20 0 CBADLP C[C@@H]([NH2+]CCNC(=O)C[NH+]1CCCC1)c1nnnn1C ZINC001151096450 815060455 /nfs/dbraw/zinc/06/04/55/815060455.db2.gz ACCIJBSIFUFTPS-SNVBAGLBSA-N 2 2 281.364 -0.927 20 0 CBADLP Cc1nnc([C@@H](C)[NH2+]CCNC(=O)C[NH+]2CCCC2)[nH]1 ZINC001151101890 815061762 /nfs/dbraw/zinc/06/17/62/815061762.db2.gz ZCSYJTITWWCMCG-SNVBAGLBSA-N 2 2 280.376 -0.024 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NCC[NH2+]Cc1cnn(C)n1 ZINC001151115426 815062060 /nfs/dbraw/zinc/06/20/60/815062060.db2.gz XBJZGRROLPZEDD-UHFFFAOYSA-N 2 2 277.332 -0.774 20 0 CBADLP C[C@H]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C[N@@H+]1CCO ZINC001071994869 805279305 /nfs/dbraw/zinc/27/93/05/805279305.db2.gz HRXUVAPKUPOLJK-RYUDHWBXSA-N 2 2 280.372 -0.076 20 0 CBADLP C[C@H]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C[N@H+]1CCO ZINC001071994869 805279314 /nfs/dbraw/zinc/27/93/14/805279314.db2.gz HRXUVAPKUPOLJK-RYUDHWBXSA-N 2 2 280.372 -0.076 20 0 CBADLP C[C@H]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C[N@@H+]1CC(N)=O ZINC001071994761 805279417 /nfs/dbraw/zinc/27/94/17/805279417.db2.gz HCKRDWQRIPNCGK-RYUDHWBXSA-N 2 2 294.399 -0.463 20 0 CBADLP C[C@H]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C[N@H+]1CC(N)=O ZINC001071994761 805279423 /nfs/dbraw/zinc/27/94/23/805279423.db2.gz HCKRDWQRIPNCGK-RYUDHWBXSA-N 2 2 294.399 -0.463 20 0 CBADLP C[C@@H]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C[N@@H+]1CCO ZINC001071994860 805279673 /nfs/dbraw/zinc/27/96/73/805279673.db2.gz HRXUVAPKUPOLJK-NEPJUHHUSA-N 2 2 280.372 -0.076 20 0 CBADLP C[C@@H]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C[N@H+]1CCO ZINC001071994860 805279679 /nfs/dbraw/zinc/27/96/79/805279679.db2.gz HRXUVAPKUPOLJK-NEPJUHHUSA-N 2 2 280.372 -0.076 20 0 CBADLP CNC(=O)C[N@@H+]1C[C@H](NC(=O)C[NH+]2CCCC2)CC[C@@H]1C ZINC001072080861 805285113 /nfs/dbraw/zinc/28/51/13/805285113.db2.gz CRVOCCAKEWRDNR-QWHCGFSZSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[N@H+]1C[C@H](NC(=O)C[NH+]2CCCC2)CC[C@@H]1C ZINC001072080861 805285122 /nfs/dbraw/zinc/28/51/22/805285122.db2.gz CRVOCCAKEWRDNR-QWHCGFSZSA-N 2 2 296.415 -0.203 20 0 CBADLP C[C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C[N@@H+]1CCO ZINC001072123861 805286815 /nfs/dbraw/zinc/28/68/15/805286815.db2.gz VCGFJXUZBDMDIP-RYUDHWBXSA-N 2 2 266.345 -0.156 20 0 CBADLP C[C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C[N@H+]1CCO ZINC001072123861 805286821 /nfs/dbraw/zinc/28/68/21/805286821.db2.gz VCGFJXUZBDMDIP-RYUDHWBXSA-N 2 2 266.345 -0.156 20 0 CBADLP C[C@H]1[C@@H]([NH2+][C@H]2CCNC2=O)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001074920557 805477659 /nfs/dbraw/zinc/47/76/59/805477659.db2.gz ZDISGEQTGMXQNO-DLOVCJGASA-N 2 2 291.355 -0.580 20 0 CBADLP CC[C@@H]([NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H]1C)C(N)=O ZINC001074918428 805477770 /nfs/dbraw/zinc/47/77/70/805477770.db2.gz PZEVSQWECBLWCJ-WCQGTBRESA-N 2 2 293.371 -0.205 20 0 CBADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H]([NH2+]CC(N)=O)[C@@H]1C ZINC001074957206 805478686 /nfs/dbraw/zinc/47/86/86/805478686.db2.gz XBXKMMDWUYKKBI-NHCYSSNCSA-N 2 2 293.371 -0.347 20 0 CBADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H]([NH2+]CC(N)=O)[C@@H]1C ZINC001074957206 805478690 /nfs/dbraw/zinc/47/86/90/805478690.db2.gz XBXKMMDWUYKKBI-NHCYSSNCSA-N 2 2 293.371 -0.347 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)N1CC[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001076081347 805551443 /nfs/dbraw/zinc/55/14/43/805551443.db2.gz KRZMIZYRKNIUGY-QWHCGFSZSA-N 2 2 292.383 -0.122 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)N1CC[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001076081347 805551451 /nfs/dbraw/zinc/55/14/51/805551451.db2.gz KRZMIZYRKNIUGY-QWHCGFSZSA-N 2 2 292.383 -0.122 20 0 CBADLP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H]3C[NH+](CC(N)=O)C[C@H]32)C1 ZINC001076242742 805563154 /nfs/dbraw/zinc/56/31/54/805563154.db2.gz PXBQRUUVGKQJTK-RWMBFGLXSA-N 2 2 294.399 -0.654 20 0 CBADLP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H]3C[NH+](CC(N)=O)C[C@H]32)C1 ZINC001076242742 805563161 /nfs/dbraw/zinc/56/31/61/805563161.db2.gz PXBQRUUVGKQJTK-RWMBFGLXSA-N 2 2 294.399 -0.654 20 0 CBADLP C[C@H]1CC[NH+](CC(=O)N2CC[C@H]3C[N@H+](CC(N)=O)C[C@H]32)C1 ZINC001076242742 805563165 /nfs/dbraw/zinc/56/31/65/805563165.db2.gz PXBQRUUVGKQJTK-RWMBFGLXSA-N 2 2 294.399 -0.654 20 0 CBADLP C[C@H]1CC[NH+](CC(=O)N2CC[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)C1 ZINC001076242742 805563174 /nfs/dbraw/zinc/56/31/74/805563174.db2.gz PXBQRUUVGKQJTK-RWMBFGLXSA-N 2 2 294.399 -0.654 20 0 CBADLP O=C(NCC[NH2+]CCCO)[C@H](C1CC1)[NH+]1CCOCC1 ZINC001151813963 815094757 /nfs/dbraw/zinc/09/47/57/815094757.db2.gz CIAOBTUVXIOUHM-ZDUSSCGKSA-N 2 2 285.388 -0.815 20 0 CBADLP COC[C@H](C)[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+]1CCOCC1 ZINC001151814834 815095302 /nfs/dbraw/zinc/09/53/02/815095302.db2.gz MYBVIPMAYBBBGQ-GXTWGEPZSA-N 2 2 299.415 -0.162 20 0 CBADLP Cc1nnc(C[NH2+]CCNC(=O)C[N@@H+](C)C(C)C)o1 ZINC001152439775 815121990 /nfs/dbraw/zinc/12/19/90/815121990.db2.gz QPBZVPZMCKOVGF-UHFFFAOYSA-N 2 2 269.349 -0.076 20 0 CBADLP Cc1nnc(C[NH2+]CCNC(=O)C[N@H+](C)C(C)C)o1 ZINC001152439775 815121993 /nfs/dbraw/zinc/12/19/93/815121993.db2.gz QPBZVPZMCKOVGF-UHFFFAOYSA-N 2 2 269.349 -0.076 20 0 CBADLP CC[C@H]([NH2+]CCNC(=O)CCCn1cc[nH+]c1)C(N)=O ZINC001153350906 815159652 /nfs/dbraw/zinc/15/96/52/815159652.db2.gz NTZFBKAJZPRTJJ-NSHDSACASA-N 2 2 281.360 -0.367 20 0 CBADLP Cn1ccc(C[NH2+]CCNC(=O)Cn2cc[nH+]c2)cc1=O ZINC001153487740 815163158 /nfs/dbraw/zinc/16/31/58/815163158.db2.gz LJTPIIZOWRXRQT-UHFFFAOYSA-N 2 2 289.339 -0.512 20 0 CBADLP Cn1ccc(C[NH2+]CCNC(=O)Cn2cc[nH+]c2)n1 ZINC001153487791 815164130 /nfs/dbraw/zinc/16/41/30/815164130.db2.gz POUXXAQBSZHFKH-UHFFFAOYSA-N 2 2 262.317 -0.477 20 0 CBADLP O=C(Cn1cc[nH+]c1)NCC[NH2+]Cc1cc2n(n1)CCC2 ZINC001153495371 815164209 /nfs/dbraw/zinc/16/42/09/815164209.db2.gz HWXGCMQJLWFWLT-UHFFFAOYSA-N 2 2 288.355 -0.068 20 0 CBADLP COc1cncc(C[NH2+]CCNC(=O)Cn2cc[nH+]c2)n1 ZINC001153495132 815164685 /nfs/dbraw/zinc/16/46/85/815164685.db2.gz BMJRVJPGROSOER-UHFFFAOYSA-N 2 2 290.327 -0.412 20 0 CBADLP CCC(C)(C)NC(=O)C[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153487819 815165002 /nfs/dbraw/zinc/16/50/02/815165002.db2.gz RVYALZPFWUNJMG-UHFFFAOYSA-N 2 2 295.387 -0.106 20 0 CBADLP CS(=O)(=O)N(CC[NH3+])c1cc(-n2cc[nH+]c2)ccn1 ZINC001154771415 815239651 /nfs/dbraw/zinc/23/96/51/815239651.db2.gz ZZGBENVIPYNEIZ-UHFFFAOYSA-N 2 2 281.341 -0.008 20 0 CBADLP Cc1nc(N(C)C)nc(NC[C@@]23C[NH2+][C@@H](CO2)C3)[nH+]1 ZINC001155543481 815291270 /nfs/dbraw/zinc/29/12/70/815291270.db2.gz JAWCEMWZDMJDKV-BXKDBHETSA-N 2 2 264.333 -0.211 20 0 CBADLP OC[C@H](O)CNc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC001155646568 815303250 /nfs/dbraw/zinc/30/32/50/815303250.db2.gz QXJQZNCRUHZSDB-LLVKDONJSA-N 2 2 252.318 -0.744 20 0 CBADLP O=C(NC[C@H]1C[C@@H]([NH2+]CCO)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001086112253 810242896 /nfs/dbraw/zinc/24/28/96/810242896.db2.gz ZJTPYPVPVYJKPA-WRWGMCAJSA-N 2 2 278.356 -0.010 20 0 CBADLP O=C(NC[C@H]1C[C@@H]([NH2+]CCO)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001086112253 810242899 /nfs/dbraw/zinc/24/28/99/810242899.db2.gz ZJTPYPVPVYJKPA-WRWGMCAJSA-N 2 2 278.356 -0.010 20 0 CBADLP CC[N@H+](CCO)[C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001156384194 815356975 /nfs/dbraw/zinc/35/69/75/815356975.db2.gz ZYGKPCAGOPIEHV-LLVKDONJSA-N 2 2 268.361 -0.219 20 0 CBADLP CC[N@@H+](CCO)[C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001156384194 815356983 /nfs/dbraw/zinc/35/69/83/815356983.db2.gz ZYGKPCAGOPIEHV-LLVKDONJSA-N 2 2 268.361 -0.219 20 0 CBADLP NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001088120948 810323538 /nfs/dbraw/zinc/32/35/38/810323538.db2.gz HCMDENHGKFCGDV-MNOVXSKESA-N 2 2 291.355 -0.782 20 0 CBADLP NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001088120948 810323547 /nfs/dbraw/zinc/32/35/47/810323547.db2.gz HCMDENHGKFCGDV-MNOVXSKESA-N 2 2 291.355 -0.782 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@H]1C ZINC001088749784 810354614 /nfs/dbraw/zinc/35/46/14/810354614.db2.gz OUHLOBVQFBFCML-NEPJUHHUSA-N 2 2 293.371 -0.483 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@H]1C ZINC001088749784 810354622 /nfs/dbraw/zinc/35/46/22/810354622.db2.gz OUHLOBVQFBFCML-NEPJUHHUSA-N 2 2 293.371 -0.483 20 0 CBADLP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1CC[NH+](CC(N)=O)[C@@H]1C ZINC001088857915 810363396 /nfs/dbraw/zinc/36/33/96/810363396.db2.gz ITAPOPBTWZTAMX-UTUOFQBUSA-N 2 2 282.388 -0.465 20 0 CBADLP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CC[NH+](CC(N)=O)[C@@H]1C ZINC001088857915 810363400 /nfs/dbraw/zinc/36/34/00/810363400.db2.gz ITAPOPBTWZTAMX-UTUOFQBUSA-N 2 2 282.388 -0.465 20 0 CBADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CC[N@H+](CC(N)=O)[C@@H]1C ZINC001088857915 810363407 /nfs/dbraw/zinc/36/34/07/810363407.db2.gz ITAPOPBTWZTAMX-UTUOFQBUSA-N 2 2 282.388 -0.465 20 0 CBADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CC[N@@H+](CC(N)=O)[C@@H]1C ZINC001088857915 810363413 /nfs/dbraw/zinc/36/34/13/810363413.db2.gz ITAPOPBTWZTAMX-UTUOFQBUSA-N 2 2 282.388 -0.465 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@H]1C ZINC001088859360 810363577 /nfs/dbraw/zinc/36/35/77/810363577.db2.gz ACYKKZCSBXGFIT-UPJWGTAASA-N 2 2 296.415 -0.347 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@H]1C ZINC001088859360 810363583 /nfs/dbraw/zinc/36/35/83/810363583.db2.gz ACYKKZCSBXGFIT-UPJWGTAASA-N 2 2 296.415 -0.347 20 0 CBADLP CNC(=O)C[NH+]1CC[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)[C@H]1C ZINC001088859360 810363584 /nfs/dbraw/zinc/36/35/84/810363584.db2.gz ACYKKZCSBXGFIT-UPJWGTAASA-N 2 2 296.415 -0.347 20 0 CBADLP CNC(=O)C[NH+]1CC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)[C@H]1C ZINC001088859360 810363592 /nfs/dbraw/zinc/36/35/92/810363592.db2.gz ACYKKZCSBXGFIT-UPJWGTAASA-N 2 2 296.415 -0.347 20 0 CBADLP CC[N@@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H](O)C1 ZINC001090382013 810486701 /nfs/dbraw/zinc/48/67/01/810486701.db2.gz NWHIDDYMPJELHM-WCQYABFASA-N 2 2 296.371 -0.079 20 0 CBADLP CC[N@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H](O)C1 ZINC001090382013 810486705 /nfs/dbraw/zinc/48/67/05/810486705.db2.gz NWHIDDYMPJELHM-WCQYABFASA-N 2 2 296.371 -0.079 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](CCF)C[C@H]1O ZINC001090434141 810498004 /nfs/dbraw/zinc/49/80/04/810498004.db2.gz VQSLEWUDJCISGH-NWDGAFQWSA-N 2 2 284.335 -0.288 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](CCF)C[C@H]1O ZINC001090434141 810498005 /nfs/dbraw/zinc/49/80/05/810498005.db2.gz VQSLEWUDJCISGH-NWDGAFQWSA-N 2 2 284.335 -0.288 20 0 CBADLP CC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001090679765 810548328 /nfs/dbraw/zinc/54/83/28/810548328.db2.gz QPDZRKFEOULTTD-ZJUUUORDSA-N 2 2 252.318 -0.477 20 0 CBADLP CC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001090679765 810548333 /nfs/dbraw/zinc/54/83/33/810548333.db2.gz QPDZRKFEOULTTD-ZJUUUORDSA-N 2 2 252.318 -0.477 20 0 CBADLP CCC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001090679164 810550352 /nfs/dbraw/zinc/55/03/52/810550352.db2.gz LFCVQBDWMDAAAC-QWRGUYRKSA-N 2 2 266.345 -0.086 20 0 CBADLP CCC[N@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001090679164 810550356 /nfs/dbraw/zinc/55/03/56/810550356.db2.gz LFCVQBDWMDAAAC-QWRGUYRKSA-N 2 2 266.345 -0.086 20 0 CBADLP CC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001090728336 810556401 /nfs/dbraw/zinc/55/64/01/810556401.db2.gz RFGWVMRPFRHOSP-NEPJUHHUSA-N 2 2 266.345 -0.466 20 0 CBADLP CC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001090728336 810556407 /nfs/dbraw/zinc/55/64/07/810556407.db2.gz RFGWVMRPFRHOSP-NEPJUHHUSA-N 2 2 266.345 -0.466 20 0 CBADLP COCC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@H](O)C1 ZINC001090727349 810556799 /nfs/dbraw/zinc/55/67/99/810556799.db2.gz KAQHSOLJONMJCQ-CHWSQXEVSA-N 2 2 296.371 -0.840 20 0 CBADLP COCC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@H](O)C1 ZINC001090727349 810556807 /nfs/dbraw/zinc/55/68/07/810556807.db2.gz KAQHSOLJONMJCQ-CHWSQXEVSA-N 2 2 296.371 -0.840 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[N@H+](CCCF)C[C@@H]1O ZINC001090728478 810557685 /nfs/dbraw/zinc/55/76/85/810557685.db2.gz SOKRTGYHKKPKMV-OLZOCXBDSA-N 2 2 298.362 -0.126 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[N@@H+](CCCF)C[C@@H]1O ZINC001090728478 810557692 /nfs/dbraw/zinc/55/76/92/810557692.db2.gz SOKRTGYHKKPKMV-OLZOCXBDSA-N 2 2 298.362 -0.126 20 0 CBADLP COCC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](O)C1 ZINC001090763445 810563467 /nfs/dbraw/zinc/56/34/67/810563467.db2.gz IKOFOVLHDQCENA-AAEUAGOBSA-N 2 2 296.371 -0.542 20 0 CBADLP COCC[N@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](O)C1 ZINC001090763445 810563471 /nfs/dbraw/zinc/56/34/71/810563471.db2.gz IKOFOVLHDQCENA-AAEUAGOBSA-N 2 2 296.371 -0.542 20 0 CBADLP O=C(C[NH+]1CCCC1)N[C@@H]1CC[N@@H+](CCF)C[C@@H]1O ZINC001090812527 810568544 /nfs/dbraw/zinc/56/85/44/810568544.db2.gz GKPKYEBAQQOJQN-NEPJUHHUSA-N 2 2 273.352 -0.397 20 0 CBADLP O=C(C[NH+]1CCCC1)N[C@@H]1CC[N@H+](CCF)C[C@@H]1O ZINC001090812527 810568554 /nfs/dbraw/zinc/56/85/54/810568554.db2.gz GKPKYEBAQQOJQN-NEPJUHHUSA-N 2 2 273.352 -0.397 20 0 CBADLP O=C(NCC1CC([NH2+]CCO)C1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001091105822 810594162 /nfs/dbraw/zinc/59/41/62/810594162.db2.gz VGOWRBQSISYBJL-OTTFEQOBSA-N 2 2 292.383 -0.078 20 0 CBADLP C[C@]12CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]1C[N@H+](CCO)C2 ZINC001092131655 810623127 /nfs/dbraw/zinc/62/31/27/810623127.db2.gz ZUENWQPFQYUZBS-RISCZKNCSA-N 2 2 278.356 -0.275 20 0 CBADLP C[C@]12CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]1C[N@@H+](CCO)C2 ZINC001092131655 810623131 /nfs/dbraw/zinc/62/31/31/810623131.db2.gz ZUENWQPFQYUZBS-RISCZKNCSA-N 2 2 278.356 -0.275 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001096549154 810780492 /nfs/dbraw/zinc/78/04/92/810780492.db2.gz VURJEFYEDVHSCF-WOPDTQHZSA-N 2 2 291.355 -0.602 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001096549154 810780501 /nfs/dbraw/zinc/78/05/01/810780501.db2.gz VURJEFYEDVHSCF-WOPDTQHZSA-N 2 2 291.355 -0.602 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@]12CCC[C@H]1C[N@H+](CCO)C2 ZINC001099121184 810867526 /nfs/dbraw/zinc/86/75/26/810867526.db2.gz RFZQNGAPYBDRJG-WFASDCNBSA-N 2 2 292.383 -0.074 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCO)C2 ZINC001099121184 810867532 /nfs/dbraw/zinc/86/75/32/810867532.db2.gz RFZQNGAPYBDRJG-WFASDCNBSA-N 2 2 292.383 -0.074 20 0 CBADLP O=C(NCc1cc2n(n1)CCCO2)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001157082229 815404488 /nfs/dbraw/zinc/40/44/88/815404488.db2.gz IWKXEVMXERNFIG-IINYFYTJSA-N 2 2 291.355 -0.767 20 0 CBADLP CC[N@@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001099872042 810955850 /nfs/dbraw/zinc/95/58/50/810955850.db2.gz NUVOIPREGAFSCZ-RYUDHWBXSA-N 2 2 266.345 -0.086 20 0 CBADLP CC[N@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001099872042 810955854 /nfs/dbraw/zinc/95/58/54/810955854.db2.gz NUVOIPREGAFSCZ-RYUDHWBXSA-N 2 2 266.345 -0.086 20 0 CBADLP CC[N@@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)[C@@H](O)C1 ZINC001099872042 810955858 /nfs/dbraw/zinc/95/58/58/810955858.db2.gz NUVOIPREGAFSCZ-RYUDHWBXSA-N 2 2 266.345 -0.086 20 0 CBADLP CC[N@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)[C@@H](O)C1 ZINC001099872042 810955863 /nfs/dbraw/zinc/95/58/63/810955863.db2.gz NUVOIPREGAFSCZ-RYUDHWBXSA-N 2 2 266.345 -0.086 20 0 CBADLP C[N@H+](CC(=O)N[C@H]1CC[NH+](CCF)C[C@H]1O)C1CCC1 ZINC001099879518 810959518 /nfs/dbraw/zinc/95/95/18/810959518.db2.gz LARCMLSHBRMTDE-QWHCGFSZSA-N 2 2 287.379 -0.008 20 0 CBADLP C[N@@H+](CC(=O)N[C@H]1CC[NH+](CCF)C[C@H]1O)C1CCC1 ZINC001099879518 810959525 /nfs/dbraw/zinc/95/95/25/810959525.db2.gz LARCMLSHBRMTDE-QWHCGFSZSA-N 2 2 287.379 -0.008 20 0 CBADLP C[NH+](CC(=O)N[C@H]1CC[N@H+](CCF)C[C@H]1O)C1CCC1 ZINC001099879518 810959533 /nfs/dbraw/zinc/95/95/33/810959533.db2.gz LARCMLSHBRMTDE-QWHCGFSZSA-N 2 2 287.379 -0.008 20 0 CBADLP C[NH+](CC(=O)N[C@H]1CC[N@@H+](CCF)C[C@H]1O)C1CCC1 ZINC001099879518 810959539 /nfs/dbraw/zinc/95/95/39/810959539.db2.gz LARCMLSHBRMTDE-QWHCGFSZSA-N 2 2 287.379 -0.008 20 0 CBADLP O=C(CCn1cc[nH+]c1)N[C@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001099939968 810972903 /nfs/dbraw/zinc/97/29/03/810972903.db2.gz OSSPNIXDULGLOP-STQMWFEESA-N 2 2 296.371 -0.793 20 0 CBADLP O=C(CCn1cc[nH+]c1)N[C@H]1CC[N@H+](CCCO)C[C@@H]1O ZINC001099939968 810972910 /nfs/dbraw/zinc/97/29/10/810972910.db2.gz OSSPNIXDULGLOP-STQMWFEESA-N 2 2 296.371 -0.793 20 0 CBADLP CCOCC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001100017014 810994548 /nfs/dbraw/zinc/99/45/48/810994548.db2.gz CPAKRUHRKGCUTK-STQMWFEESA-N 2 2 296.371 -0.460 20 0 CBADLP CCOCC[N@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001100017014 810994553 /nfs/dbraw/zinc/99/45/53/810994553.db2.gz CPAKRUHRKGCUTK-STQMWFEESA-N 2 2 296.371 -0.460 20 0 CBADLP CCOCC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H](O)C1 ZINC001100137253 811028323 /nfs/dbraw/zinc/02/83/23/811028323.db2.gz YGQPVOQORDPYRQ-QWHCGFSZSA-N 2 2 296.371 -0.529 20 0 CBADLP CCOCC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H](O)C1 ZINC001100137253 811028330 /nfs/dbraw/zinc/02/83/30/811028330.db2.gz YGQPVOQORDPYRQ-QWHCGFSZSA-N 2 2 296.371 -0.529 20 0 CBADLP COCCC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001100136466 811028700 /nfs/dbraw/zinc/02/87/00/811028700.db2.gz NESFTYBKFLCBDC-STQMWFEESA-N 2 2 296.371 -0.529 20 0 CBADLP COCCC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001100136466 811028705 /nfs/dbraw/zinc/02/87/05/811028705.db2.gz NESFTYBKFLCBDC-STQMWFEESA-N 2 2 296.371 -0.529 20 0 CBADLP Cn1ncnc1C[NH2+]CCCNC(=O)CCc1[nH]cc[nH+]1 ZINC001157255308 815415722 /nfs/dbraw/zinc/41/57/22/815415722.db2.gz ACZWZCWEMFACPI-UHFFFAOYSA-N 2 2 291.359 -0.233 20 0 CBADLP C[C@H]([NH2+]C1CC(CNC(=O)CCn2cc[nH+]c2)C1)C(N)=O ZINC001100550443 811062959 /nfs/dbraw/zinc/06/29/59/811062959.db2.gz JXVOSEPCLYSSTF-UNXYVOJBSA-N 2 2 293.371 -0.369 20 0 CBADLP CCNC(=O)C[NH2+]C1CC(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001100706422 811074729 /nfs/dbraw/zinc/07/47/29/811074729.db2.gz GVCWOFGPIUGGEB-UHFFFAOYSA-N 2 2 293.371 -0.427 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NCC1CC([NH2+][C@@H]2CCNC2=O)C1 ZINC001100706549 811075040 /nfs/dbraw/zinc/07/50/40/811075040.db2.gz MINIGLVNTTUGAJ-RTYFJBAXSA-N 2 2 291.355 -0.675 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NCC1CC([NH2+]CCCO)C1 ZINC001100871310 811083615 /nfs/dbraw/zinc/08/36/15/811083615.db2.gz LPXIRSREKZQPOA-UHFFFAOYSA-N 2 2 280.372 -0.171 20 0 CBADLP CC[N@H+](C[C@H](O)COC)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001157293615 815420055 /nfs/dbraw/zinc/42/00/55/815420055.db2.gz JVULUKTZWXZLIE-OLZOCXBDSA-N 2 2 298.387 -0.283 20 0 CBADLP CC[N@@H+](C[C@H](O)COC)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001157293615 815420057 /nfs/dbraw/zinc/42/00/57/815420057.db2.gz JVULUKTZWXZLIE-OLZOCXBDSA-N 2 2 298.387 -0.283 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]C1CC(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001101071478 811093654 /nfs/dbraw/zinc/09/36/54/811093654.db2.gz KGPXGQKBECCHLG-UNXYVOJBSA-N 2 2 293.371 -0.498 20 0 CBADLP C[C@H](O)C[NH2+]C1CC(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001101071317 811094580 /nfs/dbraw/zinc/09/45/80/811094580.db2.gz CBCWFAMRMUFEOL-UNXYVOJBSA-N 2 2 266.345 -0.252 20 0 CBADLP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001102205286 811148943 /nfs/dbraw/zinc/14/89/43/811148943.db2.gz UXFWLLNZKJTLOF-VXGBXAGGSA-N 2 2 293.371 -0.557 20 0 CBADLP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001102205286 811148948 /nfs/dbraw/zinc/14/89/48/811148948.db2.gz UXFWLLNZKJTLOF-VXGBXAGGSA-N 2 2 293.371 -0.557 20 0 CBADLP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001103574190 811185705 /nfs/dbraw/zinc/18/57/05/811185705.db2.gz DRJFDASVPNEFAX-GHMZBOCLSA-N 2 2 293.371 -0.488 20 0 CBADLP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001103574190 811185713 /nfs/dbraw/zinc/18/57/13/811185713.db2.gz DRJFDASVPNEFAX-GHMZBOCLSA-N 2 2 293.371 -0.488 20 0 CBADLP Cn1cc[nH+]c1CCNC(=O)[C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1 ZINC001157422234 815431865 /nfs/dbraw/zinc/43/18/65/815431865.db2.gz JXXRXVAMQLPKIR-SDDRHHMPSA-N 2 2 278.356 -0.154 20 0 CBADLP Cc1nc(NC[C@@H](O)CNC(=O)[C@H]2CCC[N@H+]2C)cc[nH+]1 ZINC001105751161 811252882 /nfs/dbraw/zinc/25/28/82/811252882.db2.gz WKSVJHQXTXKNBJ-VXGBXAGGSA-N 2 2 293.371 -0.232 20 0 CBADLP Cc1nc(NC[C@@H](O)CNC(=O)[C@H]2CCC[N@@H+]2C)cc[nH+]1 ZINC001105751161 811252892 /nfs/dbraw/zinc/25/28/92/811252892.db2.gz WKSVJHQXTXKNBJ-VXGBXAGGSA-N 2 2 293.371 -0.232 20 0 CBADLP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)NCCc1[nH+]ccn1C ZINC001157424825 815433155 /nfs/dbraw/zinc/43/31/55/815433155.db2.gz ZCECRIRGJMIUHK-GWCFXTLKSA-N 2 2 295.387 -0.432 20 0 CBADLP Cc1nc(NC[C@@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)C2)cc[nH+]1 ZINC001105853225 811269585 /nfs/dbraw/zinc/26/95/85/811269585.db2.gz JEWGTFPSLXUBFY-VXGBXAGGSA-N 2 2 293.371 -0.374 20 0 CBADLP Cc1nc(NC[C@@H](O)CNC(=O)[C@@H]2CC[N@H+](C)C2)cc[nH+]1 ZINC001105853225 811269595 /nfs/dbraw/zinc/26/95/95/811269595.db2.gz JEWGTFPSLXUBFY-VXGBXAGGSA-N 2 2 293.371 -0.374 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001107077620 811324565 /nfs/dbraw/zinc/32/45/65/811324565.db2.gz OLVXSWAZPFUPEN-VXGBXAGGSA-N 2 2 293.371 -0.687 20 0 CBADLP CCCN(CCOC)C(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001157486207 815439077 /nfs/dbraw/zinc/43/90/77/815439077.db2.gz SQLIJUMXQWCZFX-DGCLKSJQSA-N 2 2 255.362 -0.177 20 0 CBADLP CNC(=O)C1CCN(C(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)CC1 ZINC001157496557 815439530 /nfs/dbraw/zinc/43/95/30/815439530.db2.gz XNSISQRBLGSJPD-LLVKDONJSA-N 2 2 279.344 -0.736 20 0 CBADLP CCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001107839606 811381957 /nfs/dbraw/zinc/38/19/57/811381957.db2.gz QTGDHSRDFNSBID-ZFWWWQNUSA-N 2 2 299.415 -0.066 20 0 CBADLP CCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001107839606 811381968 /nfs/dbraw/zinc/38/19/68/811381968.db2.gz QTGDHSRDFNSBID-ZFWWWQNUSA-N 2 2 299.415 -0.066 20 0 CBADLP CCC[NH+]1CCO[C@@](C)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001107839606 811381979 /nfs/dbraw/zinc/38/19/79/811381979.db2.gz QTGDHSRDFNSBID-ZFWWWQNUSA-N 2 2 299.415 -0.066 20 0 CBADLP CCC[NH+]1CCO[C@@](C)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001107839606 811381990 /nfs/dbraw/zinc/38/19/90/811381990.db2.gz QTGDHSRDFNSBID-ZFWWWQNUSA-N 2 2 299.415 -0.066 20 0 CBADLP CC[N@@H+]1CCO[C@](C)(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001108280471 811430900 /nfs/dbraw/zinc/43/09/00/811430900.db2.gz RCLTZBQSBGUXBZ-OAHLLOKOSA-N 2 2 299.415 -0.064 20 0 CBADLP CC[N@H+]1CCO[C@](C)(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001108280471 811430904 /nfs/dbraw/zinc/43/09/04/811430904.db2.gz RCLTZBQSBGUXBZ-OAHLLOKOSA-N 2 2 299.415 -0.064 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC[C@@]1(C)C[N@H+](CCO)CCO1 ZINC001108401611 811445568 /nfs/dbraw/zinc/44/55/68/811445568.db2.gz SJFWOUHOSODXPT-AWEZNQCLSA-N 2 2 296.371 -0.609 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC[C@@]1(C)C[N@@H+](CCO)CCO1 ZINC001108401611 811445574 /nfs/dbraw/zinc/44/55/74/811445574.db2.gz SJFWOUHOSODXPT-AWEZNQCLSA-N 2 2 296.371 -0.609 20 0 CBADLP C[NH+](C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O)C1CC1 ZINC001109402256 811496167 /nfs/dbraw/zinc/49/61/67/811496167.db2.gz LBXDQUFLDYEGEX-OWTLIXCDSA-N 2 2 294.399 -0.467 20 0 CBADLP C[NH+](C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O)C1CC1 ZINC001109402256 811496177 /nfs/dbraw/zinc/49/61/77/811496177.db2.gz LBXDQUFLDYEGEX-OWTLIXCDSA-N 2 2 294.399 -0.467 20 0 CBADLP CCNC(=O)CN(C)C(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001157678563 815452759 /nfs/dbraw/zinc/45/27/59/815452759.db2.gz AULFDGOREHJMSI-LBPRGKRZSA-N 2 2 278.356 -0.147 20 0 CBADLP CCNC(=O)CN(C)C(=O)[C@@H]1CCC[N@@H+]([C@H]2CC[NH2+]C2)C1 ZINC001157679760 815452774 /nfs/dbraw/zinc/45/27/74/815452774.db2.gz ZNCXFOZQGDIVQZ-OLZOCXBDSA-N 2 2 296.415 -0.345 20 0 CBADLP CCNC(=O)CN(C)C(=O)[C@@H]1CCC[N@H+]([C@H]2CC[NH2+]C2)C1 ZINC001157679760 815452778 /nfs/dbraw/zinc/45/27/78/815452778.db2.gz ZNCXFOZQGDIVQZ-OLZOCXBDSA-N 2 2 296.415 -0.345 20 0 CBADLP CN(Cc1ncccn1)C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001157681145 815453138 /nfs/dbraw/zinc/45/31/38/815453138.db2.gz FNLAPOIFCJCAOM-NSHDSACASA-N 2 2 274.328 -0.262 20 0 CBADLP COC1(C)CCN(C(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)CC1 ZINC001157689294 815453899 /nfs/dbraw/zinc/45/38/99/815453899.db2.gz UFQNAKGNTMSRAC-RISCZKNCSA-N 2 2 267.373 -0.035 20 0 CBADLP C[C@H]1CN(C(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)CCCO1 ZINC001157704269 815454557 /nfs/dbraw/zinc/45/45/57/815454557.db2.gz WJLBQUTXAJQOMP-JQWIXIFHSA-N 2 2 266.345 -0.073 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1Cc2cncnc2C1 ZINC001157708074 815455107 /nfs/dbraw/zinc/45/51/07/815455107.db2.gz IAMWHNZONVMPOW-NSHDSACASA-N 2 2 272.312 -0.378 20 0 CBADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)N1CC(F)(C2CC2)C1 ZINC001157708541 815455394 /nfs/dbraw/zinc/45/53/94/815455394.db2.gz VEYNHLWKVIACTF-LBPRGKRZSA-N 2 2 284.379 -0.303 20 0 CBADLP C[NH+](C)CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001111298801 811544076 /nfs/dbraw/zinc/54/40/76/811544076.db2.gz RGPGCFKSMOUQDS-UPJWGTAASA-N 2 2 296.415 -0.075 20 0 CBADLP C[NH+](C)CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001111298801 811544082 /nfs/dbraw/zinc/54/40/82/811544082.db2.gz RGPGCFKSMOUQDS-UPJWGTAASA-N 2 2 296.415 -0.075 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CC(F)(F)CC[C@@H]1CO ZINC001157729996 815458063 /nfs/dbraw/zinc/45/80/63/815458063.db2.gz GGIKKUNNSRDHBL-VGMNWLOBSA-N 2 2 263.288 -0.848 20 0 CBADLP C[C@@H]1[C@H](C(=O)N2CC[NH+](CCOCCO)CC2)CC[N@@H+]1C ZINC001112864870 811605328 /nfs/dbraw/zinc/60/53/28/811605328.db2.gz HKKRTKZCJJJPOI-ZIAGYGMSSA-N 2 2 299.415 -0.520 20 0 CBADLP C[C@@H]1[C@H](C(=O)N2CC[NH+](CCOCCO)CC2)CC[N@H+]1C ZINC001112864870 811605335 /nfs/dbraw/zinc/60/53/35/811605335.db2.gz HKKRTKZCJJJPOI-ZIAGYGMSSA-N 2 2 299.415 -0.520 20 0 CBADLP CC[C@H](C(=O)N1CC[NH+](CCOCCO)CC1)[NH+](C)C ZINC001113007052 811615517 /nfs/dbraw/zinc/61/55/17/811615517.db2.gz KATXKBMVXPPKBK-CYBMUJFWSA-N 2 2 287.404 -0.520 20 0 CBADLP COC[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001113018860 811615618 /nfs/dbraw/zinc/61/56/18/811615618.db2.gz CKUXIKGPWSWGOU-KGLIPLIRSA-N 2 2 299.415 -0.378 20 0 CBADLP COC[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001113018860 811615622 /nfs/dbraw/zinc/61/56/22/811615622.db2.gz CKUXIKGPWSWGOU-KGLIPLIRSA-N 2 2 299.415 -0.378 20 0 CBADLP COC[C@@H](O)C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001113346206 811633276 /nfs/dbraw/zinc/63/32/76/811633276.db2.gz SBMMLRUPXFQJRZ-KGLIPLIRSA-N 2 2 299.415 -0.520 20 0 CBADLP COC[C@@H](O)C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001113346206 811633278 /nfs/dbraw/zinc/63/32/78/811633278.db2.gz SBMMLRUPXFQJRZ-KGLIPLIRSA-N 2 2 299.415 -0.520 20 0 CBADLP COCCC[NH+]1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001113432081 811638229 /nfs/dbraw/zinc/63/82/29/811638229.db2.gz JSYVEBHQHIUYLG-UHFFFAOYSA-N 2 2 299.415 -0.111 20 0 CBADLP O=C(N1CCC[C@](O)(CF)CC1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001157780056 815465872 /nfs/dbraw/zinc/46/58/72/815465872.db2.gz BJPKXOBNHPTWAN-YUTCNCBUSA-N 2 2 285.363 -0.349 20 0 CBADLP [NH3+]C[C@@]1(F)CCCN(C(=O)C2([NH3+])CC[NH2+]CC2)CC1 ZINC001157744574 815461936 /nfs/dbraw/zinc/46/19/36/815461936.db2.gz JVFSXPLCFZMRTD-GFCCVEGCSA-N 3 2 272.368 -0.253 20 0 CBADLP C[C@@H]1[C@H](C[NH3+])CCCN1C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001157841802 815470450 /nfs/dbraw/zinc/47/04/50/815470450.db2.gz HXZBOSNZSMTHSX-OJROKELRSA-N 3 2 266.389 -0.206 20 0 CBADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001114212989 811732915 /nfs/dbraw/zinc/73/29/15/811732915.db2.gz SPWZHKJUDVYMIR-IWIIMEHWSA-N 2 2 264.329 -0.619 20 0 CBADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001114212989 811732921 /nfs/dbraw/zinc/73/29/21/811732921.db2.gz SPWZHKJUDVYMIR-IWIIMEHWSA-N 2 2 264.329 -0.619 20 0 CBADLP C[C@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001157841929 815471126 /nfs/dbraw/zinc/47/11/26/815471126.db2.gz IXKMOKSAHKPGFM-FPYNETTCSA-N 3 2 266.389 -0.478 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001114388789 811746115 /nfs/dbraw/zinc/74/61/15/811746115.db2.gz GNXAGMWDWUEKSE-PJXYFTJBSA-N 2 2 264.329 -0.619 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001114388789 811746123 /nfs/dbraw/zinc/74/61/23/811746123.db2.gz GNXAGMWDWUEKSE-PJXYFTJBSA-N 2 2 264.329 -0.619 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001114388789 811746128 /nfs/dbraw/zinc/74/61/28/811746128.db2.gz GNXAGMWDWUEKSE-PJXYFTJBSA-N 2 2 264.329 -0.619 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001114388789 811746135 /nfs/dbraw/zinc/74/61/35/811746135.db2.gz GNXAGMWDWUEKSE-PJXYFTJBSA-N 2 2 264.329 -0.619 20 0 CBADLP C[C@H]1C[C@@H](CO)N(C(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)C1 ZINC001157853452 815472077 /nfs/dbraw/zinc/47/20/77/815472077.db2.gz CWEYYPIISCJYLV-LSJOCFKGSA-N 2 2 252.318 -0.491 20 0 CBADLP C[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cc[nH+]c1 ZINC001114653064 811758676 /nfs/dbraw/zinc/75/86/76/811758676.db2.gz YDFJZNBKVYIGGR-NMKXLXIOSA-N 2 2 278.356 -0.300 20 0 CBADLP C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cc[nH+]c1 ZINC001114653064 811758681 /nfs/dbraw/zinc/75/86/81/811758681.db2.gz YDFJZNBKVYIGGR-NMKXLXIOSA-N 2 2 278.356 -0.300 20 0 CBADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CCCC(=O)[C@@H](F)C1 ZINC001157855089 815472968 /nfs/dbraw/zinc/47/29/68/815472968.db2.gz LPULJMSHKHXFFV-XWLWVQCSSA-N 2 2 269.320 -0.534 20 0 CBADLP C[C@@H]1CC[C@H](CO)CN1C(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001157854863 815473084 /nfs/dbraw/zinc/47/30/84/815473084.db2.gz JFMRNTWTLBYOEP-UHXUPSOCSA-N 2 2 267.373 -0.443 20 0 CBADLP C[C@@H]1CC[C@@H](CO)CN1C(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001157856544 815473527 /nfs/dbraw/zinc/47/35/27/815473527.db2.gz VNFUMRXHEFCOKM-CKYFFXLPSA-N 2 2 266.345 -0.101 20 0 CBADLP C[C@@]1(O)CCN(C(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)C[C@@H]1F ZINC001157900424 815477582 /nfs/dbraw/zinc/47/75/82/815477582.db2.gz IYIJHPICWFDGCJ-DNIRFERGSA-N 2 2 271.336 -0.741 20 0 CBADLP C[NH+]1CCN(C(=[NH2+])Nc2nccc3c2C(=O)NC3)CC1 ZINC001157915285 815481126 /nfs/dbraw/zinc/48/11/26/815481126.db2.gz PCGQIPCYTXUERI-UHFFFAOYSA-N 2 2 274.328 -0.081 20 0 CBADLP C[C@H]1CC[C@@H](CO)N1C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001157914251 815481643 /nfs/dbraw/zinc/48/16/43/815481643.db2.gz IDHBXSMVYROLBA-ONYIWYLUSA-N 2 2 253.346 -0.420 20 0 CBADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@](F)(CO)CC1 ZINC001157935395 815488429 /nfs/dbraw/zinc/48/84/29/815488429.db2.gz UVPZUCAAMROXKG-DGCLKSJQSA-N 2 2 284.335 -0.007 20 0 CBADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)CC1CC[NH2+]CC1 ZINC001157997632 815495292 /nfs/dbraw/zinc/49/52/92/815495292.db2.gz BFDCPBPOMXQWPQ-GFCCVEGCSA-N 2 2 283.372 -0.260 20 0 CBADLP CN(C(=O)C1([NH3+])CC[NH2+]CC1)[C@H]1CC[C@H](O)CC1 ZINC001157997281 815495301 /nfs/dbraw/zinc/49/53/01/815495301.db2.gz LUIKPSQWYWBQCB-XYPYZODXSA-N 2 2 255.362 -0.171 20 0 CBADLP CN(C(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2)[C@H]1CC[C@H](O)CC1 ZINC001157990176 815496124 /nfs/dbraw/zinc/49/61/24/815496124.db2.gz YFFPAPZDRMPZDI-ZJQBRPOHSA-N 2 2 267.373 -0.300 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)C1CC[NH2+]CC1 ZINC001157999021 815496702 /nfs/dbraw/zinc/49/67/02/815496702.db2.gz MRGWBBKTOSNYQM-NSHDSACASA-N 2 2 269.345 -0.651 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC001157999008 815497128 /nfs/dbraw/zinc/49/71/28/815497128.db2.gz MHEHIWOQRMRXQI-UTUOFQBUSA-N 2 2 283.372 -0.262 20 0 CBADLP CCC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1C(=O)OCC ZINC001157999293 815497236 /nfs/dbraw/zinc/49/72/36/815497236.db2.gz QBJSZWANBQMOSN-VHSXEESVSA-N 2 2 257.334 -0.523 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N(C[C@@H](O)CO)C(C)(C)C ZINC001158014882 815498488 /nfs/dbraw/zinc/49/84/88/815498488.db2.gz OQKJTYFVAYHXJE-NEPJUHHUSA-N 2 2 298.387 -0.730 20 0 CBADLP [NH3+]C1CC2(C1)CCN(C(=O)[C@@]13C[NH2+]C[C@H]1CC[NH2+]3)CC2 ZINC001158081655 815502926 /nfs/dbraw/zinc/50/29/26/815502926.db2.gz FVDRLTLGLPLKPC-IAQYHMDHSA-N 3 2 278.400 -0.332 20 0 CBADLP O=C(N1CCC2(C[C@@H]2CCO)CC1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001158112118 815505105 /nfs/dbraw/zinc/50/51/05/815505105.db2.gz VOEZFBSEJQMKPB-ZENOOKHLSA-N 2 2 293.411 -0.051 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CCC2(C[C@@H]2CCO)CC1 ZINC001158111241 815505156 /nfs/dbraw/zinc/50/51/56/815505156.db2.gz MAUQADMEUGKCHU-SRVKXCTJSA-N 2 2 267.373 -0.456 20 0 CBADLP Cc1nonc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114774249 812158888 /nfs/dbraw/zinc/15/88/88/812158888.db2.gz KGZCBXSTVPAWDD-YABSGUDNSA-N 2 2 293.371 -0.124 20 0 CBADLP Cc1nonc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114774249 812158895 /nfs/dbraw/zinc/15/88/95/812158895.db2.gz KGZCBXSTVPAWDD-YABSGUDNSA-N 2 2 293.371 -0.124 20 0 CBADLP CCN(C)c1ccnc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001158203247 815512280 /nfs/dbraw/zinc/51/22/80/815512280.db2.gz GWEGVUOVHTXOSS-SNVBAGLBSA-N 2 2 276.344 -0.020 20 0 CBADLP NC(=O)c1ncc(Cl)nc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001158203567 815512343 /nfs/dbraw/zinc/51/23/43/815512343.db2.gz GBVODLBFBXQBCR-ZCFIWIBFSA-N 2 2 296.718 -0.723 20 0 CBADLP NC(=O)c1cccnc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001158202949 815512440 /nfs/dbraw/zinc/51/24/40/815512440.db2.gz BHWIRHKSZCGYIZ-MRVPVSSYSA-N 2 2 261.285 -0.772 20 0 CBADLP NC(=O)c1ccnc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c1 ZINC001158203105 815512900 /nfs/dbraw/zinc/51/29/00/815512900.db2.gz FFIXKAPXPBHRHB-SECBINFHSA-N 2 2 261.285 -0.772 20 0 CBADLP CCOC(=O)c1cncnc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001158204384 815513638 /nfs/dbraw/zinc/51/36/38/815513638.db2.gz ZVKHUEWBQPXBHH-SECBINFHSA-N 2 2 291.311 -0.299 20 0 CBADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cncc(-n2cncn2)n1 ZINC001158209367 815513953 /nfs/dbraw/zinc/51/39/53/815513953.db2.gz SONVAANOIUSMIY-SECBINFHSA-N 2 2 286.299 -0.895 20 0 CBADLP COC(=O)[C@H]1C[C@@H](C(=O)N2CC[C@@H]3[NH2+]CC[C@H]32)CC[NH2+]1 ZINC001158207686 815514045 /nfs/dbraw/zinc/51/40/45/815514045.db2.gz AESYKUZQVNVHJZ-NNYUYHANSA-N 2 2 281.356 -0.510 20 0 CBADLP CCOc1cncc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001158204353 815514212 /nfs/dbraw/zinc/51/42/12/815514212.db2.gz XXQBODYAMLMMPI-SECBINFHSA-N 2 2 263.301 -0.077 20 0 CBADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N2CCC3(CCC[NH2+]3)CC2)C1 ZINC001158170097 815509582 /nfs/dbraw/zinc/50/95/82/815509582.db2.gz VLRPCOIAIYLBGI-QWRGUYRKSA-N 3 2 252.362 -0.580 20 0 CBADLP CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158194033 815511458 /nfs/dbraw/zinc/51/14/58/815511458.db2.gz UEUZZGIBEYUGPO-YNEHKIRRSA-N 2 2 291.355 -0.580 20 0 CBADLP CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158194033 815511463 /nfs/dbraw/zinc/51/14/63/815511463.db2.gz UEUZZGIBEYUGPO-YNEHKIRRSA-N 2 2 291.355 -0.580 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001158305719 815519824 /nfs/dbraw/zinc/51/98/24/815519824.db2.gz KQXGIASKSPGBPV-ZMLRMANQSA-N 3 2 263.345 -0.890 20 0 CBADLP O=C1CO[C@H](CNc2ccc(N3CC[NH2+]CC3)c[nH+]2)CN1 ZINC001158394841 815526005 /nfs/dbraw/zinc/52/60/05/815526005.db2.gz VZZSWDZMBZCBBV-GFCCVEGCSA-N 2 2 291.355 -0.582 20 0 CBADLP Cc1[nH]c2c([nH+]1)CCN(C(=O)[C@@H]1COC[NH2+]1)CC2 ZINC001158340161 815522262 /nfs/dbraw/zinc/52/22/62/815522262.db2.gz ZLKDBZQMZJKKOC-NSHDSACASA-N 2 2 250.302 -0.409 20 0 CBADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)N1CC[NH+](C)CC1 ZINC001117669304 812428096 /nfs/dbraw/zinc/42/80/96/812428096.db2.gz DXBWIFUSIPXZMY-GFCCVEGCSA-N 2 2 265.361 -0.365 20 0 CBADLP O=C(C[N@H+](C1CC1)C1CC[NH2+]CC1)N1CC[NH2+]CC1 ZINC001118260692 812510564 /nfs/dbraw/zinc/51/05/64/812510564.db2.gz FPSZJNMWYXPEJM-UHFFFAOYSA-N 3 2 266.389 -0.365 20 0 CBADLP O=C(C[N@@H+](C1CC1)C1CC[NH2+]CC1)N1CC[NH2+]CC1 ZINC001118260692 812510568 /nfs/dbraw/zinc/51/05/68/812510568.db2.gz FPSZJNMWYXPEJM-UHFFFAOYSA-N 3 2 266.389 -0.365 20 0 CBADLP C[NH2+]C[C@H]1CCC[N@H+](CC(=O)N2CC[NH2+]CC2)C1 ZINC001118261445 812511314 /nfs/dbraw/zinc/51/13/14/812511314.db2.gz VJGAHDBAQOREHV-GFCCVEGCSA-N 3 2 254.378 -0.650 20 0 CBADLP C[NH2+]C[C@H]1CCC[N@@H+](CC(=O)N2CC[NH2+]CC2)C1 ZINC001118261445 812511316 /nfs/dbraw/zinc/51/13/16/812511316.db2.gz VJGAHDBAQOREHV-GFCCVEGCSA-N 3 2 254.378 -0.650 20 0 CBADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H](CF)[C@@H](C2([NH3+])CC2)C1 ZINC001158567164 815538259 /nfs/dbraw/zinc/53/82/59/815538259.db2.gz FKTJUIFUYOTHIC-DLOVCJGASA-N 3 2 295.362 -0.185 20 0 CBADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC001118313713 812526287 /nfs/dbraw/zinc/52/62/87/812526287.db2.gz IXQBKEFWSITYEK-GWCFXTLKSA-N 2 2 266.345 -0.229 20 0 CBADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC001118313713 812526290 /nfs/dbraw/zinc/52/62/90/812526290.db2.gz IXQBKEFWSITYEK-GWCFXTLKSA-N 2 2 266.345 -0.229 20 0 CBADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC001118313713 812526292 /nfs/dbraw/zinc/52/62/92/812526292.db2.gz IXQBKEFWSITYEK-GWCFXTLKSA-N 2 2 266.345 -0.229 20 0 CBADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC001118313713 812526297 /nfs/dbraw/zinc/52/62/97/812526297.db2.gz IXQBKEFWSITYEK-GWCFXTLKSA-N 2 2 266.345 -0.229 20 0 CBADLP CC[C@]([NH3+])(CO)Nc1cc[nH+]c(N2CCOCC2)n1 ZINC001159744040 815592494 /nfs/dbraw/zinc/59/24/94/815592494.db2.gz NAGSRFPPZSQYCP-GFCCVEGCSA-N 2 2 267.333 -0.218 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001118382400 812541936 /nfs/dbraw/zinc/54/19/36/812541936.db2.gz BSRKWWSQFRZFJZ-NWDGAFQWSA-N 2 2 264.329 -0.760 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001118382400 812541940 /nfs/dbraw/zinc/54/19/40/812541940.db2.gz BSRKWWSQFRZFJZ-NWDGAFQWSA-N 2 2 264.329 -0.760 20 0 CBADLP c1c(CC[NH+]2CCOCC2)nnn1[C@@H]1CC[NH2+]C1 ZINC001118413347 812545633 /nfs/dbraw/zinc/54/56/33/812545633.db2.gz RQGZHQPLHLHKRU-GFCCVEGCSA-N 2 2 251.334 -0.313 20 0 CBADLP NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C[C@H]2CC[NH2+]C2)C1 ZINC001118507349 812563747 /nfs/dbraw/zinc/56/37/47/812563747.db2.gz XFEDNUSUUHWAAS-GHMZBOCLSA-N 2 2 268.361 -0.948 20 0 CBADLP NC(=O)C[N@H+]1CCC[C@@H](NC(=O)C[C@H]2CC[NH2+]C2)C1 ZINC001118507349 812563752 /nfs/dbraw/zinc/56/37/52/812563752.db2.gz XFEDNUSUUHWAAS-GHMZBOCLSA-N 2 2 268.361 -0.948 20 0 CBADLP C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)[C@@]12CC[C@@H](N1)[C@H]([NH3+])C2 ZINC001158626728 815540350 /nfs/dbraw/zinc/54/03/50/815540350.db2.gz ZGFAZBMKLFUMLW-KSFQGOMNSA-N 2 2 266.389 -0.241 20 0 CBADLP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)[C@@]12CC[C@@H](N1)[C@H]([NH3+])C2 ZINC001158626728 815540353 /nfs/dbraw/zinc/54/03/53/815540353.db2.gz ZGFAZBMKLFUMLW-KSFQGOMNSA-N 2 2 266.389 -0.241 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@@H]([NH3+])CCCC[NH3+])CC1 ZINC001158605497 815540657 /nfs/dbraw/zinc/54/06/57/815540657.db2.gz YDVCKTGPJTYXNH-LBPRGKRZSA-N 3 2 272.393 -0.767 20 0 CBADLP C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)[C@@H]([NH3+])Cc1cncn1C ZINC001158626547 815541002 /nfs/dbraw/zinc/54/10/02/815541002.db2.gz SJFJMRBPBQEBLF-LOWVWBTDSA-N 2 2 279.388 -0.159 20 0 CBADLP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)[C@@H]([NH3+])Cc1cncn1C ZINC001158626547 815541005 /nfs/dbraw/zinc/54/10/05/815541005.db2.gz SJFJMRBPBQEBLF-LOWVWBTDSA-N 2 2 279.388 -0.159 20 0 CBADLP O=C(NCCCCn1cc[nH+]c1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC001118864254 812645654 /nfs/dbraw/zinc/64/56/54/812645654.db2.gz BCEYDTYBCVTFGB-LLVKDONJSA-N 2 2 279.344 -0.742 20 0 CBADLP O=C(N1CCCC(=O)CC1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001158658910 815543204 /nfs/dbraw/zinc/54/32/04/815543204.db2.gz MQMUXZYYOSDNAT-ZWNOBZJWSA-N 2 2 251.330 -0.481 20 0 CBADLP Cn1c[nH+]cc1CC[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC001119253040 812732497 /nfs/dbraw/zinc/73/24/97/812732497.db2.gz XLXDDNRCILAWCM-UHFFFAOYSA-N 2 2 277.328 -0.363 20 0 CBADLP Cn1cc[nH+]c1Cn1cc(Cn2cc(C[NH3+])cn2)nn1 ZINC001119278491 812739266 /nfs/dbraw/zinc/73/92/66/812739266.db2.gz NKCQJCLHXROSJP-UHFFFAOYSA-N 2 2 272.316 -0.237 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)/C=C/[C@H]1CCC[NH2+]C1 ZINC001119295317 812743951 /nfs/dbraw/zinc/74/39/51/812743951.db2.gz HGTCFSDYFZBJTM-PBJSTTKNSA-N 2 2 295.383 -0.094 20 0 CBADLP CCN(C(=O)C(=O)NCCn1cc[nH+]c1)[C@@H]1CC[NH2+]C1 ZINC001119406300 812777061 /nfs/dbraw/zinc/77/70/61/812777061.db2.gz HZPMLWSYCBZHID-LLVKDONJSA-N 2 2 279.344 -0.790 20 0 CBADLP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NCC[NH+]1CC=CC1 ZINC001119597309 812825959 /nfs/dbraw/zinc/82/59/59/812825959.db2.gz CDAHXCJNHMZLJN-DGCLKSJQSA-N 2 2 253.346 -0.571 20 0 CBADLP COCc1[nH]nc2c1CN(C(=O)[C@H]1C[NH2+]CC13C[NH2+]C3)C2 ZINC001159090310 815559033 /nfs/dbraw/zinc/55/90/33/815559033.db2.gz CFNCBTPSACQIJT-SNVBAGLBSA-N 2 2 291.355 -0.793 20 0 CBADLP C[NH+]1CC(CNc2cc(N3CCC[C@H]3C(N)=O)[nH+]cn2)C1 ZINC001159222109 815563308 /nfs/dbraw/zinc/56/33/08/815563308.db2.gz GVEFYNRRXPLPMN-NSHDSACASA-N 2 2 290.371 -0.096 20 0 CBADLP NC(=O)C[NH2+]C1(CNC(=O)Cn2cc[nH+]c2)CCCCC1 ZINC001120248610 812942183 /nfs/dbraw/zinc/94/21/83/812942183.db2.gz IFSBAGHRNVEZLI-UHFFFAOYSA-N 2 2 293.371 -0.223 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NCC1([NH3+])CC1 ZINC001120480492 812973173 /nfs/dbraw/zinc/97/31/73/812973173.db2.gz VQLQVRQMZLYNBQ-SNVBAGLBSA-N 2 2 256.350 -0.502 20 0 CBADLP CC(C)[N@H+](C)CCNC[C@H](O)C[NH+]1CCN(C)CC1 ZINC001120576583 812994898 /nfs/dbraw/zinc/99/48/98/812994898.db2.gz LAXGQXVTFVVFFI-AWEZNQCLSA-N 2 2 272.437 -0.476 20 0 CBADLP CC(C)[N@@H+](C)CCNC[C@H](O)C[NH+]1CCN(C)CC1 ZINC001120576583 812994901 /nfs/dbraw/zinc/99/49/01/812994901.db2.gz LAXGQXVTFVVFFI-AWEZNQCLSA-N 2 2 272.437 -0.476 20 0 CBADLP O=C(NCCc1[nH]cc[nH+]1)[C@@H]1[NH2+]CC12CCOCC2 ZINC001121827374 813078189 /nfs/dbraw/zinc/07/81/89/813078189.db2.gz YZNBXEPBCRNNEL-NSHDSACASA-N 2 2 264.329 -0.163 20 0 CBADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]([NH3+])CO ZINC001121903755 813088389 /nfs/dbraw/zinc/08/83/89/813088389.db2.gz KWEGBQQQZCUFQD-ZJUUUORDSA-N 2 2 254.334 -0.266 20 0 CBADLP COCC[N@@H+]1CC[C@@H](NC(=O)C[C@@H]([NH3+])C(F)F)C1 ZINC001121920695 813090487 /nfs/dbraw/zinc/09/04/87/813090487.db2.gz KGQDADVRORMLHV-RKDXNWHRSA-N 2 2 265.304 -0.194 20 0 CBADLP COCC[N@H+]1CC[C@@H](NC(=O)C[C@@H]([NH3+])C(F)F)C1 ZINC001121920695 813090496 /nfs/dbraw/zinc/09/04/96/813090496.db2.gz KGQDADVRORMLHV-RKDXNWHRSA-N 2 2 265.304 -0.194 20 0 CBADLP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC001121990843 813101464 /nfs/dbraw/zinc/10/14/64/813101464.db2.gz IZPVDALFUVZZRY-AXFHLTTASA-N 2 2 254.334 -0.396 20 0 CBADLP C[NH+](C)CC(=O)NCCCCC[NH+]1CCNCC1 ZINC001122194296 813132067 /nfs/dbraw/zinc/13/20/67/813132067.db2.gz BSXAVFINBJGRSZ-UHFFFAOYSA-N 2 2 256.394 -0.260 20 0 CBADLP CC(C)C[C@H](C(=O)NC[C@H](O)C[NH3+])n1cc[nH+]c1 ZINC001122072707 813113377 /nfs/dbraw/zinc/11/33/77/813113377.db2.gz DGVKSOFPVFNGAG-GHMZBOCLSA-N 2 2 254.334 -0.094 20 0 CBADLP O=C(N[C@H]1COC2(C[NH2+]C2)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001122142914 813123938 /nfs/dbraw/zinc/12/39/38/813123938.db2.gz BZTNACIHLAKVIP-OPRDCNLKSA-N 2 2 262.313 -0.240 20 0 CBADLP O=C(N[C@H]1COC2(C[NH2+]C2)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001122142914 813123944 /nfs/dbraw/zinc/12/39/44/813123944.db2.gz BZTNACIHLAKVIP-OPRDCNLKSA-N 2 2 262.313 -0.240 20 0 CBADLP C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001122182088 813129188 /nfs/dbraw/zinc/12/91/88/813129188.db2.gz NSRXGQKLJORQLB-GMTAPVOTSA-N 2 2 266.345 -0.438 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)NCCC[NH2+]CC(=O)NC1CC1 ZINC001159537532 815579323 /nfs/dbraw/zinc/57/93/23/815579323.db2.gz ZIWRFJFKTZRCLU-UHFFFAOYSA-N 2 2 293.371 -0.283 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)NCCC[NH2+]CC(=O)NC1CC1 ZINC001159537532 815579328 /nfs/dbraw/zinc/57/93/28/815579328.db2.gz ZIWRFJFKTZRCLU-UHFFFAOYSA-N 2 2 293.371 -0.283 20 0 CBADLP C[C@H]([NH2+]CCCNC(=O)CCc1c[nH]c[nH+]1)C(N)=O ZINC001159537383 815579465 /nfs/dbraw/zinc/57/94/65/815579465.db2.gz WUIVXVDSCXTHLD-VIFPVBQESA-N 2 2 267.333 -0.688 20 0 CBADLP C[C@H]([NH2+]CCCNC(=O)CCc1c[nH+]c[nH]1)C(N)=O ZINC001159537383 815579467 /nfs/dbraw/zinc/57/94/67/815579467.db2.gz WUIVXVDSCXTHLD-VIFPVBQESA-N 2 2 267.333 -0.688 20 0 CBADLP C[C@H](NC(=O)[C@H]1C[C@H]([NH3+])C1)[C@H]1CN(C)CC[N@@H+]1C ZINC001122448295 813165207 /nfs/dbraw/zinc/16/52/07/813165207.db2.gz MEZGFYYOSILBMF-FIQHERPVSA-N 2 2 254.378 -0.526 20 0 CBADLP C[C@H](NC(=O)[C@H]1C[C@H]([NH3+])C1)[C@H]1CN(C)CC[N@H+]1C ZINC001122448295 813165209 /nfs/dbraw/zinc/16/52/09/813165209.db2.gz MEZGFYYOSILBMF-FIQHERPVSA-N 2 2 254.378 -0.526 20 0 CBADLP NC(=O)[C@H]1CCCN1c1cc(N[C@H]([NH3+])CCC[NH3+])nc[nH+]1 ZINC001159790027 815596092 /nfs/dbraw/zinc/59/60/92/815596092.db2.gz ZUZOJCOTCDSDFS-ZJUUUORDSA-N 3 2 293.375 -0.634 20 0 CBADLP CCn1ncc(C[NH2+]CCNC(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC001124872718 813492171 /nfs/dbraw/zinc/49/21/71/813492171.db2.gz LYOVWRKQAZRVDG-LBPRGKRZSA-N 2 2 280.376 -0.402 20 0 CBADLP CCn1ncc(C[NH2+]CCNC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001124872718 813492175 /nfs/dbraw/zinc/49/21/75/813492175.db2.gz LYOVWRKQAZRVDG-LBPRGKRZSA-N 2 2 280.376 -0.402 20 0 CBADLP CCc1nnc(C[NH2+]CCNC(=O)[C@H]2CCC[N@@H+]2C)o1 ZINC001124872543 813492601 /nfs/dbraw/zinc/49/26/01/813492601.db2.gz JXTMBYDSSBUPFS-SNVBAGLBSA-N 2 2 281.360 -0.068 20 0 CBADLP CCc1nnc(C[NH2+]CCNC(=O)[C@H]2CCC[N@H+]2C)o1 ZINC001124872543 813492605 /nfs/dbraw/zinc/49/26/05/813492605.db2.gz JXTMBYDSSBUPFS-SNVBAGLBSA-N 2 2 281.360 -0.068 20 0 CBADLP Cc1nnc([C@@H](C)[NH2+]CCNC(=O)[C@@H]2CCC[N@@H+]2C)[nH]1 ZINC001124877088 813494125 /nfs/dbraw/zinc/49/41/25/813494125.db2.gz BMNNPBPDMLZMNM-KOLCDFICSA-N 2 2 280.376 -0.026 20 0 CBADLP Cc1nnc([C@@H](C)[NH2+]CCNC(=O)[C@@H]2CCC[N@H+]2C)[nH]1 ZINC001124877088 813494131 /nfs/dbraw/zinc/49/41/31/813494131.db2.gz BMNNPBPDMLZMNM-KOLCDFICSA-N 2 2 280.376 -0.026 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2ccccn2)C1 ZINC001125213307 813531472 /nfs/dbraw/zinc/53/14/72/813531472.db2.gz DIZWJNISOHGUSM-CYBMUJFWSA-N 2 2 278.356 -0.382 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2ccccn2)C1 ZINC001125213307 813531480 /nfs/dbraw/zinc/53/14/80/813531480.db2.gz DIZWJNISOHGUSM-CYBMUJFWSA-N 2 2 278.356 -0.382 20 0 CBADLP Cc1csc(C[NH2+]CCNC(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC001125213917 813532870 /nfs/dbraw/zinc/53/28/70/813532870.db2.gz MTCPAMHQINSSBZ-LLVKDONJSA-N 2 2 298.412 -0.012 20 0 CBADLP Cc1csc(C[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC001125213917 813532874 /nfs/dbraw/zinc/53/28/74/813532874.db2.gz MTCPAMHQINSSBZ-LLVKDONJSA-N 2 2 298.412 -0.012 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2ccns2)C1 ZINC001125221748 813535345 /nfs/dbraw/zinc/53/53/45/813535345.db2.gz TVYSJNWJLKFTDI-LLVKDONJSA-N 2 2 284.385 -0.321 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2ccns2)C1 ZINC001125221748 813535353 /nfs/dbraw/zinc/53/53/53/813535353.db2.gz TVYSJNWJLKFTDI-LLVKDONJSA-N 2 2 284.385 -0.321 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001126442314 813647529 /nfs/dbraw/zinc/64/75/29/813647529.db2.gz MDEPCQDBTRLKLE-SECBINFHSA-N 2 2 267.333 -0.817 20 0 CBADLP CN(C)C(=O)C[NH2+]CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001126436719 813647676 /nfs/dbraw/zinc/64/76/76/813647676.db2.gz JEWJPVHIDWXBBL-UHFFFAOYSA-N 2 2 267.333 -0.864 20 0 CBADLP Cc1c[nH+]c2cc(C(=O)NCC[NH2+]CCO)ccn12 ZINC001127299812 813723378 /nfs/dbraw/zinc/72/33/78/813723378.db2.gz ZTFMUYYAVADXHI-UHFFFAOYSA-N 2 2 262.313 -0.046 20 0 CBADLP C[C@@H]([NH2+]CCNC(=O)CCc1c[nH]c[nH+]1)C(=O)NC1CC1 ZINC001128992267 813812673 /nfs/dbraw/zinc/81/26/73/813812673.db2.gz XWXJZXBAOMVQMX-SNVBAGLBSA-N 2 2 293.371 -0.285 20 0 CBADLP C[C@@H]([NH2+]CCNC(=O)CCc1c[nH+]c[nH]1)C(=O)NC1CC1 ZINC001128992267 813812682 /nfs/dbraw/zinc/81/26/82/813812682.db2.gz XWXJZXBAOMVQMX-SNVBAGLBSA-N 2 2 293.371 -0.285 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)NCC[NH2+][C@H]1CCCNC1=O ZINC001128992198 813813697 /nfs/dbraw/zinc/81/36/97/813813697.db2.gz TXGVJRGUVPDXEN-NSHDSACASA-N 2 2 279.344 -0.673 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)NCC[NH2+][C@H]1CCCNC1=O ZINC001128992198 813813705 /nfs/dbraw/zinc/81/37/05/813813705.db2.gz TXGVJRGUVPDXEN-NSHDSACASA-N 2 2 279.344 -0.673 20 0 CBADLP C[NH+](C)[C@H](C(=O)NCC[NH2+]CCS(C)(=O)=O)C1CC1 ZINC001129437223 813844837 /nfs/dbraw/zinc/84/48/37/813844837.db2.gz XZFUMBGOSMHGHW-NSHDSACASA-N 2 2 291.417 -0.923 20 0 CBADLP CN(C)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001129891932 813875627 /nfs/dbraw/zinc/87/56/27/813875627.db2.gz YMPHEGRPFNHZAC-NXEZZACHSA-N 2 2 279.344 -0.693 20 0 CBADLP CC(C)[C@@H](C(=O)NCC[NH2+]CCS(C)(=O)=O)[NH+](C)C ZINC001129946956 813882549 /nfs/dbraw/zinc/88/25/49/813882549.db2.gz BWNDHXXZLXSLFH-NSHDSACASA-N 2 2 293.433 -0.677 20 0 CBADLP Cc1cn(C(C)(C)C(=O)NCC[NH2+][C@@H](C)C(N)=O)c[nH+]1 ZINC001130164647 813912938 /nfs/dbraw/zinc/91/29/38/813912938.db2.gz DXGPTENLRVFPMB-JTQLQIEISA-N 2 2 281.360 -0.494 20 0 CBADLP COCC[NH2+]CCNC(=O)Cc1c[nH+]ccc1OC ZINC001130173222 813913417 /nfs/dbraw/zinc/91/34/17/813913417.db2.gz CBDRKAOPXMGJRB-UHFFFAOYSA-N 2 2 267.329 -0.015 20 0 CBADLP COc1cc[nH+]cc1CC(=O)NCC[NH2+]CCCO ZINC001130176403 813913470 /nfs/dbraw/zinc/91/34/70/813913470.db2.gz MYIUOAMVRKFWFC-UHFFFAOYSA-N 2 2 267.329 -0.279 20 0 CBADLP Cc1nnc(C[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[nH]1 ZINC001130182322 813913539 /nfs/dbraw/zinc/91/35/39/813913539.db2.gz CGFYSPAOGNTSJZ-MWLCHTKSSA-N 2 2 296.375 -0.962 20 0 CBADLP Cc1nnc(C[NH2+]CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[nH]1 ZINC001130182322 813913540 /nfs/dbraw/zinc/91/35/40/813913540.db2.gz CGFYSPAOGNTSJZ-MWLCHTKSSA-N 2 2 296.375 -0.962 20 0 CBADLP CC[C@@H]([NH2+]CCNC(=O)C(C)(C)n1c[nH+]c(C)c1)C(N)=O ZINC001130164627 813914321 /nfs/dbraw/zinc/91/43/21/813914321.db2.gz DOUYOFFOIQTCHK-LLVKDONJSA-N 2 2 295.387 -0.104 20 0 CBADLP Cn1ncc(C[NH2+]CCNC(=O)[C@@H]2CCCC[N@@H+]2C)n1 ZINC001130297099 813923246 /nfs/dbraw/zinc/92/32/46/813923246.db2.gz HWPNJQPVLFOPGI-LBPRGKRZSA-N 2 2 280.376 -0.495 20 0 CBADLP Cn1ncc(C[NH2+]CCNC(=O)[C@@H]2CCCC[N@H+]2C)n1 ZINC001130297099 813923249 /nfs/dbraw/zinc/92/32/49/813923249.db2.gz HWPNJQPVLFOPGI-LBPRGKRZSA-N 2 2 280.376 -0.495 20 0 CBADLP C[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CCS(C)(=O)=O ZINC001130297759 813925040 /nfs/dbraw/zinc/92/50/40/813925040.db2.gz QSDSZONEAMUHGL-LLVKDONJSA-N 2 2 291.417 -0.779 20 0 CBADLP C[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CCS(C)(=O)=O ZINC001130297759 813925045 /nfs/dbraw/zinc/92/50/45/813925045.db2.gz QSDSZONEAMUHGL-LLVKDONJSA-N 2 2 291.417 -0.779 20 0 CBADLP CN(C)C(=O)C[NH2+]CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001130403951 813935828 /nfs/dbraw/zinc/93/58/28/813935828.db2.gz FKZXOCYXSXKQMI-LLVKDONJSA-N 2 2 293.371 -0.761 20 0 CBADLP CC[C@@H]([NH2+]CCNC(=O)[C@H]1CCn2c[nH+]cc2C1)C(N)=O ZINC001130404980 813935896 /nfs/dbraw/zinc/93/58/96/813935896.db2.gz UJHNFRJJBUPUGA-CMPLNLGQSA-N 2 2 293.371 -0.585 20 0 CBADLP O=C(NCC[NH2+]CCCO)[C@H]1CCn2c[nH+]cc2C1 ZINC001130407655 813937193 /nfs/dbraw/zinc/93/71/93/813937193.db2.gz VTUYQPGPNDFPDI-NSHDSACASA-N 2 2 266.345 -0.466 20 0 CBADLP C[C@@H](O)C[NH2+]CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001130483933 813943804 /nfs/dbraw/zinc/94/38/04/813943804.db2.gz AJPWDFFWVUMMIC-GHMZBOCLSA-N 2 2 266.345 -0.468 20 0 CBADLP CC[C@H]([NH2+]CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)C(N)=O ZINC001130484178 813943933 /nfs/dbraw/zinc/94/39/33/813943933.db2.gz GVYWYVZSZBUFCD-MNOVXSKESA-N 2 2 293.371 -0.585 20 0 CBADLP O=C(NCC[NH2+]CCO)[C@@H]1CCn2cc[nH+]c2C1 ZINC001130483964 813944211 /nfs/dbraw/zinc/94/42/11/813944211.db2.gz BCBXCYDEFRREEY-SNVBAGLBSA-N 2 2 252.318 -0.856 20 0 CBADLP C[C@H]([NH2+]CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)C(N)=O ZINC001130488757 813945328 /nfs/dbraw/zinc/94/53/28/813945328.db2.gz VXOZGTYMGWNPMU-VHSXEESVSA-N 2 2 279.344 -0.975 20 0 CBADLP CC[C@@H]([NH2+]CCNC(=O)[C@H]1CCc2c[nH+]cn2C1)C(N)=O ZINC001130488330 813945524 /nfs/dbraw/zinc/94/55/24/813945524.db2.gz PGXLNPPOPCOMMR-CMPLNLGQSA-N 2 2 293.371 -0.585 20 0 CBADLP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)C(N)=O ZINC001130488755 813946286 /nfs/dbraw/zinc/94/62/86/813946286.db2.gz VXOZGTYMGWNPMU-NXEZZACHSA-N 2 2 279.344 -0.975 20 0 CBADLP CNC(=O)C[NH2+]CCNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001130491734 813946514 /nfs/dbraw/zinc/94/65/14/813946514.db2.gz ZOCPVGUEBSWLMB-JTQLQIEISA-N 2 2 293.371 -0.725 20 0 CBADLP CNC(=O)C[NH2+]CCNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001130491734 813946517 /nfs/dbraw/zinc/94/65/17/813946517.db2.gz ZOCPVGUEBSWLMB-JTQLQIEISA-N 2 2 293.371 -0.725 20 0 CBADLP Cn1cnnc1C[NH2+]CCNC(=O)C12CCC[NH+]1CCC2 ZINC001130805858 813983950 /nfs/dbraw/zinc/98/39/50/813983950.db2.gz PQYGVPULZVUISI-UHFFFAOYSA-N 2 2 292.387 -0.351 20 0 CBADLP C[C@H]([NH2+]CCNC(=O)c1cccc2[nH+]ccn21)C(N)=O ZINC001131270163 814015387 /nfs/dbraw/zinc/01/53/87/814015387.db2.gz DYOSXSXHTSYBLY-VIFPVBQESA-N 2 2 275.312 -0.473 20 0 CBADLP O=C(NCC[NH2+][C@H]1CCNC1=O)c1cccc2[nH+]ccn21 ZINC001131270522 814016087 /nfs/dbraw/zinc/01/60/87/814016087.db2.gz MIPPINMCTYELDX-JTQLQIEISA-N 2 2 287.323 -0.458 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NCC[NH2+]Cc1nncs1 ZINC001131385380 814027519 /nfs/dbraw/zinc/02/75/19/814027519.db2.gz PLLIPSGCDUZOIK-UHFFFAOYSA-N 2 2 280.357 -0.051 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)NCC[NH2+][C@H]1CCCNC1=O ZINC001131639415 814049247 /nfs/dbraw/zinc/04/92/47/814049247.db2.gz GWDATKNRNYNTHF-NSHDSACASA-N 2 2 293.371 -0.663 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)NCC[NH2+]Cc1cnnn1C ZINC001131639172 814050128 /nfs/dbraw/zinc/05/01/28/814050128.db2.gz AFWGYYODHNLJFK-UHFFFAOYSA-N 2 2 291.359 -0.613 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)NCC[NH2+][C@H]1CCN(C)C1=O ZINC001131656727 814052233 /nfs/dbraw/zinc/05/22/33/814052233.db2.gz WLPXKWYVXPGKEI-NSHDSACASA-N 2 2 293.371 -0.711 20 0 CBADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCC[NH2+]C[C@@H](C)O ZINC001131822517 814071921 /nfs/dbraw/zinc/07/19/21/814071921.db2.gz QOYOMLIQOQNENQ-CHWSQXEVSA-N 2 2 287.404 -0.426 20 0 CBADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NCC[NH2+]C[C@@H](C)O ZINC001131822517 814071927 /nfs/dbraw/zinc/07/19/27/814071927.db2.gz QOYOMLIQOQNENQ-CHWSQXEVSA-N 2 2 287.404 -0.426 20 0 CBADLP CCCCNC(=O)C[NH2+]CCNC(=O)CCn1cc[nH+]c1 ZINC001132080005 814099754 /nfs/dbraw/zinc/09/97/54/814099754.db2.gz WZQYQPWQQUFVER-UHFFFAOYSA-N 2 2 295.387 -0.105 20 0 CBADLP O=C(CCn1cc[nH+]c1)NCC[NH2+]CC(=O)N1CCCC1 ZINC001132079962 814100862 /nfs/dbraw/zinc/10/08/62/814100862.db2.gz UXCJARFRPNHCAS-UHFFFAOYSA-N 2 2 293.371 -0.399 20 0 CBADLP C[C@@H]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C[N@@H+]1CC(N)=O ZINC001132106364 814102349 /nfs/dbraw/zinc/10/23/49/814102349.db2.gz TZDOFRCEYWFEIJ-NEPJUHHUSA-N 2 2 296.415 -0.075 20 0 CBADLP C[C@@H]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C[N@H+]1CC(N)=O ZINC001132106364 814102357 /nfs/dbraw/zinc/10/23/57/814102357.db2.gz TZDOFRCEYWFEIJ-NEPJUHHUSA-N 2 2 296.415 -0.075 20 0 CBADLP CC[NH+](CC)CC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC(N)=O)C1 ZINC001132375516 814141521 /nfs/dbraw/zinc/14/15/21/814141521.db2.gz DRQOXDLARQMSMK-NEPJUHHUSA-N 2 2 284.404 -0.217 20 0 CBADLP CC[NH+](CC)CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC(N)=O)C1 ZINC001132375516 814141526 /nfs/dbraw/zinc/14/15/26/814141526.db2.gz DRQOXDLARQMSMK-NEPJUHHUSA-N 2 2 284.404 -0.217 20 0 CBADLP CC(C)[NH+](C)CC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC(N)=O)C1 ZINC001132522890 814157306 /nfs/dbraw/zinc/15/73/06/814157306.db2.gz UYOJDISRQWUSIR-NEPJUHHUSA-N 2 2 284.404 -0.219 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[C@@H](C)[NH+](CC(N)=O)C1 ZINC001132522890 814157297 /nfs/dbraw/zinc/15/72/97/814157297.db2.gz UYOJDISRQWUSIR-NEPJUHHUSA-N 2 2 284.404 -0.219 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[C@@H](C)[NH+](CC(N)=O)C1 ZINC001132522890 814157302 /nfs/dbraw/zinc/15/73/02/814157302.db2.gz UYOJDISRQWUSIR-NEPJUHHUSA-N 2 2 284.404 -0.219 20 0 CBADLP CC(C)[NH+](C)CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC(N)=O)C1 ZINC001132522890 814157311 /nfs/dbraw/zinc/15/73/11/814157311.db2.gz UYOJDISRQWUSIR-NEPJUHHUSA-N 2 2 284.404 -0.219 20 0 CBADLP CCC[NH2+]CCNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(C)=O ZINC001133254380 814233502 /nfs/dbraw/zinc/23/35/02/814233502.db2.gz ADZSFOQAXOZUEB-LBPRGKRZSA-N 2 2 281.360 -0.427 20 0 CBADLP CCC[NH2+]CCNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(C)=O ZINC001133254380 814233508 /nfs/dbraw/zinc/23/35/08/814233508.db2.gz ADZSFOQAXOZUEB-LBPRGKRZSA-N 2 2 281.360 -0.427 20 0 CBADLP CC[C@H]([NH2+]CCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21)C(N)=O ZINC001133663076 814283278 /nfs/dbraw/zinc/28/32/78/814283278.db2.gz BVORBLAKQSNCIW-UWVGGRQHSA-N 2 2 293.371 -0.201 20 0 CBADLP CN(C)C(=O)C[NH2+]CCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001133664266 814283348 /nfs/dbraw/zinc/28/33/48/814283348.db2.gz MZRRNHWFHOLKKY-JTQLQIEISA-N 2 2 293.371 -0.376 20 0 CBADLP O=C(NCC[NH2+]CCCO)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001133663913 814283968 /nfs/dbraw/zinc/28/39/68/814283968.db2.gz JNLKDRCUEAQTSP-JTQLQIEISA-N 2 2 266.345 -0.082 20 0 CBADLP O=C(NCC[NH2+][C@H]1CCNC1=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001133664447 814284700 /nfs/dbraw/zinc/28/47/00/814284700.db2.gz RGIVVHKOBWPEFX-ONGXEEELSA-N 2 2 291.355 -0.576 20 0 CBADLP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]Cc1cnsn1 ZINC001133862899 814311975 /nfs/dbraw/zinc/31/19/75/814311975.db2.gz HWLHFWYOHQRLRZ-ONGXEEELSA-N 2 2 283.401 -0.058 20 0 CBADLP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]Cc1cnsn1 ZINC001133862899 814311982 /nfs/dbraw/zinc/31/19/82/814311982.db2.gz HWLHFWYOHQRLRZ-ONGXEEELSA-N 2 2 283.401 -0.058 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]Cc1csnn1 ZINC001133869197 814314606 /nfs/dbraw/zinc/31/46/06/814314606.db2.gz CEFTYYAYZSWVKL-KOLCDFICSA-N 2 2 283.401 -0.058 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]Cc1csnn1 ZINC001133869197 814314614 /nfs/dbraw/zinc/31/46/14/814314614.db2.gz CEFTYYAYZSWVKL-KOLCDFICSA-N 2 2 283.401 -0.058 20 0 CBADLP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]Cc1csnn1 ZINC001133869201 814314740 /nfs/dbraw/zinc/31/47/40/814314740.db2.gz CEFTYYAYZSWVKL-ONGXEEELSA-N 2 2 283.401 -0.058 20 0 CBADLP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]Cc1csnn1 ZINC001133869201 814314747 /nfs/dbraw/zinc/31/47/47/814314747.db2.gz CEFTYYAYZSWVKL-ONGXEEELSA-N 2 2 283.401 -0.058 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]Cc1ncccn1 ZINC001133869691 814317894 /nfs/dbraw/zinc/31/78/94/814317894.db2.gz JMJOKJZLGXFTTL-VXGBXAGGSA-N 2 2 277.372 -0.120 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]Cc1ncccn1 ZINC001133869691 814317904 /nfs/dbraw/zinc/31/79/04/814317904.db2.gz JMJOKJZLGXFTTL-VXGBXAGGSA-N 2 2 277.372 -0.120 20 0 CBADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[NH2+]CCO ZINC001134045735 814345561 /nfs/dbraw/zinc/34/55/61/814345561.db2.gz OLGLHHYSELPNRK-NXEZZACHSA-N 2 2 252.318 -0.778 20 0 CBADLP CC[C@H]([NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(N)=O ZINC001134043317 814345848 /nfs/dbraw/zinc/34/58/48/814345848.db2.gz WOTWFGKRKCEBKI-MXWKQRLJSA-N 2 2 293.371 -0.507 20 0 CBADLP COCC[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001134045430 814347285 /nfs/dbraw/zinc/34/72/85/814347285.db2.gz FXHZXMOFIKNMJQ-GHMZBOCLSA-N 2 2 266.345 -0.124 20 0 CBADLP CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001134049392 814347302 /nfs/dbraw/zinc/34/73/02/814347302.db2.gz FNVDETVSWWTAFU-GHMZBOCLSA-N 2 2 293.371 -0.635 20 0 CBADLP C[C@H](C[C@H](C)NC(=O)CCc1[nH]cc[nH+]1)[NH2+]CC(N)=O ZINC001134227408 814364761 /nfs/dbraw/zinc/36/47/61/814364761.db2.gz GPRWZMHXFAMKCL-ZJUUUORDSA-N 2 2 281.360 -0.300 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NCC[NH2+]C[C@@H](O)CC(F)(F)F ZINC001134394311 814379783 /nfs/dbraw/zinc/37/97/83/814379783.db2.gz YXKKORAYLPGXAH-VIFPVBQESA-N 2 2 294.277 -0.029 20 0 CBADLP C[C@H]([NH2+]CCNC(=O)Cc1c[nH]c[nH+]1)C(=O)NC1CC1 ZINC001134400682 814380517 /nfs/dbraw/zinc/38/05/17/814380517.db2.gz MYSLRSKHFVBNLE-VIFPVBQESA-N 2 2 279.344 -0.675 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NCC[NH2+]CCN1CCCC1=O ZINC001134397466 814380863 /nfs/dbraw/zinc/38/08/63/814380863.db2.gz NOVDKIIOSFEERJ-UHFFFAOYSA-N 2 2 279.344 -0.720 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NCC[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001134397926 814381039 /nfs/dbraw/zinc/38/10/39/814381039.db2.gz ZAJUTUFDFYRFFK-NSHDSACASA-N 2 2 293.371 -0.426 20 0 CBADLP Cn1nccc1CC[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001134393057 814381141 /nfs/dbraw/zinc/38/11/41/814381141.db2.gz HXRPECAHXUOWHH-UHFFFAOYSA-N 2 2 276.344 -0.366 20 0 CBADLP CCN(CC)C(=O)C[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001134407136 814381978 /nfs/dbraw/zinc/38/19/78/814381978.db2.gz SKPXDKYYUPAEIJ-UHFFFAOYSA-N 2 2 281.360 -0.474 20 0 CBADLP Cn1ccc(C[NH2+]CCNC(=O)Cc2c[nH]c[nH+]2)cc1=O ZINC001134406934 814383210 /nfs/dbraw/zinc/38/32/10/814383210.db2.gz IXFICWYIYLFOQQ-UHFFFAOYSA-N 2 2 289.339 -0.443 20 0 CBADLP Cc1nn(C)cc1C[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001134406872 814383577 /nfs/dbraw/zinc/38/35/77/814383577.db2.gz GBRHRTMGKCICBP-UHFFFAOYSA-N 2 2 276.344 -0.100 20 0 CBADLP C[C@@H](O)C[NH2+]CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001134498436 814387403 /nfs/dbraw/zinc/38/74/03/814387403.db2.gz GLBHQJYPNPXUAH-WDEREUQCSA-N 2 2 254.334 -0.079 20 0 CBADLP C[C@H](CC(=O)NCC[NH2+]CC(=O)N(C)C)n1cc[nH+]c1 ZINC001134499123 814387858 /nfs/dbraw/zinc/38/78/58/814387858.db2.gz WPLQFYGJVAAHIH-LLVKDONJSA-N 2 2 281.360 -0.372 20 0 CBADLP C[C@H](CC(=O)NCC[NH2+][C@H]1CCNC1=O)n1cc[nH+]c1 ZINC001134498602 814388012 /nfs/dbraw/zinc/38/80/12/814388012.db2.gz LGYZEEDSZQFIDC-MNOVXSKESA-N 2 2 279.344 -0.572 20 0 CBADLP C[C@H](CC(=O)NCC[NH2+]Cc1cnnn1C)n1cc[nH+]c1 ZINC001134498695 814388050 /nfs/dbraw/zinc/38/80/50/814388050.db2.gz NBDZVEDSHBMFTN-LLVKDONJSA-N 2 2 291.359 -0.131 20 0 CBADLP C[C@H](CC(=O)NCC[NH2+][C@@H]1CCNC1=O)n1cc[nH+]c1 ZINC001134498601 814388981 /nfs/dbraw/zinc/38/89/81/814388981.db2.gz LGYZEEDSZQFIDC-GHMZBOCLSA-N 2 2 279.344 -0.572 20 0 CBADLP C[C@H](CC(=O)NCC[NH2+][C@H]1CCN(C)C1=O)n1cc[nH+]c1 ZINC001134517813 814391994 /nfs/dbraw/zinc/39/19/94/814391994.db2.gz SWMZIMCUVFGWKA-NEPJUHHUSA-N 2 2 293.371 -0.229 20 0 CBADLP C[C@H](O)C[NH2+]CCNC(=O)C1([NH+]2CCOCC2)CCCC1 ZINC001134616981 814399551 /nfs/dbraw/zinc/39/95/51/814399551.db2.gz GKBLYLYAAXOGEB-ZDUSSCGKSA-N 2 2 299.415 -0.282 20 0 CBADLP O=C(NCC[NH2+]CCCO)C1([NH+]2CCOCC2)CCCC1 ZINC001134617143 814400343 /nfs/dbraw/zinc/40/03/43/814400343.db2.gz IAAPPQUAGBIGIC-UHFFFAOYSA-N 2 2 299.415 -0.280 20 0 CBADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+][C@H]1CCCNC1=O ZINC001135080062 814434756 /nfs/dbraw/zinc/43/47/56/814434756.db2.gz KGXPJYRFLWUDTO-JQWIXIFHSA-N 2 2 293.371 -0.427 20 0 CBADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[NH2+][C@H]1CCCNC1=O ZINC001135080062 814434758 /nfs/dbraw/zinc/43/47/58/814434758.db2.gz KGXPJYRFLWUDTO-JQWIXIFHSA-N 2 2 293.371 -0.427 20 0 CBADLP CC[C@@H]([NH2+]CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C(N)=O ZINC001135080454 814434841 /nfs/dbraw/zinc/43/48/41/814434841.db2.gz UKYVPGLNUSALIA-GXSJLCMTSA-N 2 2 281.360 -0.442 20 0 CBADLP CC[C@@H]([NH2+]CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C(N)=O ZINC001135080454 814434846 /nfs/dbraw/zinc/43/48/46/814434846.db2.gz UKYVPGLNUSALIA-GXSJLCMTSA-N 2 2 281.360 -0.442 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+]CCn1cncn1 ZINC001135079773 814436049 /nfs/dbraw/zinc/43/60/49/814436049.db2.gz CUGQPJBULPWBKH-LLVKDONJSA-N 2 2 291.359 -0.414 20 0 CBADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[NH2+]CCn1cncn1 ZINC001135079773 814436051 /nfs/dbraw/zinc/43/60/51/814436051.db2.gz CUGQPJBULPWBKH-LLVKDONJSA-N 2 2 291.359 -0.414 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+][C@H]1CCNC1=O ZINC001135080172 814436283 /nfs/dbraw/zinc/43/62/83/814436283.db2.gz MCZCANKYWNPLSW-KOLCDFICSA-N 2 2 279.344 -0.817 20 0 CBADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+][C@@H]1CCNC1=O ZINC001135080171 814436416 /nfs/dbraw/zinc/43/64/16/814436416.db2.gz MCZCANKYWNPLSW-GXSJLCMTSA-N 2 2 279.344 -0.817 20 0 CBADLP CC[NH+](CC)CC(=O)NCC[NH2+]Cc1nc(COC)no1 ZINC001135508343 814479277 /nfs/dbraw/zinc/47/92/77/814479277.db2.gz LVKNQAJXBWZQEL-UHFFFAOYSA-N 2 2 299.375 -0.236 20 0 CBADLP C[C@H](C[C@H](C)[NH2+]CC(=O)N(C)C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001135552242 814490873 /nfs/dbraw/zinc/49/08/73/814490873.db2.gz CKGHGUHSBQZSKL-WDEREUQCSA-N 2 2 295.387 -0.087 20 0 CBADLP C[C@H](C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1)[NH2+]CCO ZINC001135558129 814492160 /nfs/dbraw/zinc/49/21/60/814492160.db2.gz YWTONDKLEYWRJD-ZJUUUORDSA-N 2 2 254.334 -0.183 20 0 CBADLP O=C([C@@H]1COC[NH2+]1)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001160157458 815611760 /nfs/dbraw/zinc/61/17/60/815611760.db2.gz WIIYKGQDXXVQGJ-XQQFMLRXSA-N 2 2 281.356 -0.746 20 0 CBADLP O=C([C@@H]1COC[NH2+]1)N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001160157458 815611763 /nfs/dbraw/zinc/61/17/63/815611763.db2.gz WIIYKGQDXXVQGJ-XQQFMLRXSA-N 2 2 281.356 -0.746 20 0 CBADLP COC[C@@H](O)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001160326631 815617017 /nfs/dbraw/zinc/61/70/17/815617017.db2.gz OQLRSYGSVXVLJB-QJPTWQEYSA-N 2 2 296.371 -0.384 20 0 CBADLP COC[C@@H](O)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001160326631 815617023 /nfs/dbraw/zinc/61/70/23/815617023.db2.gz OQLRSYGSVXVLJB-QJPTWQEYSA-N 2 2 296.371 -0.384 20 0 CBADLP Cc1nn(C)cc1C[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001135754611 814519930 /nfs/dbraw/zinc/51/99/30/814519930.db2.gz FAOQJKFGYJSZBZ-UHFFFAOYSA-N 2 2 276.344 -0.100 20 0 CBADLP CCN(C(=O)C[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001135759882 814521326 /nfs/dbraw/zinc/52/13/26/814521326.db2.gz FOSOAIZZUHNFHL-UHFFFAOYSA-N 2 2 293.371 -0.331 20 0 CBADLP C[C@H]([NH2+]CCNC(=O)Cc1[nH]cc[nH+]1)C(=O)NC(C)(C)C ZINC001135765955 814521711 /nfs/dbraw/zinc/52/17/11/814521711.db2.gz CRGCJBBTPRDQGT-JTQLQIEISA-N 2 2 295.387 -0.039 20 0 CBADLP CC(C)(C)NC(=O)C[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001135759688 814521838 /nfs/dbraw/zinc/52/18/38/814521838.db2.gz BFEMPWZZLZLNRT-UHFFFAOYSA-N 2 2 281.360 -0.427 20 0 CBADLP CNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001136032359 814548724 /nfs/dbraw/zinc/54/87/24/814548724.db2.gz ZSGYCCYIJNRJDJ-UWVGGRQHSA-N 2 2 295.387 -0.120 20 0 CBADLP C[C@@H](O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001136726248 814569043 /nfs/dbraw/zinc/56/90/43/814569043.db2.gz SBXDBWCFMIRMSU-GHMZBOCLSA-N 2 2 255.362 -0.348 20 0 CBADLP C[C@@H](O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001136726248 814569048 /nfs/dbraw/zinc/56/90/48/814569048.db2.gz SBXDBWCFMIRMSU-GHMZBOCLSA-N 2 2 255.362 -0.348 20 0 CBADLP C[C@@H](CC[NH+](C)C)C(=O)N1CC[NH+](CCO)CC1 ZINC001141478205 814658710 /nfs/dbraw/zinc/65/87/10/814658710.db2.gz PAUHESABAGFRJX-LBPRGKRZSA-N 2 2 257.378 -0.289 20 0 CBADLP C[NH+]1CC(C(=O)Nc2cc(N3CC[NH+](C)CC3)ncn2)C1 ZINC001142591888 814720277 /nfs/dbraw/zinc/72/02/77/814720277.db2.gz IVRBKNXRNNIWOX-UHFFFAOYSA-N 2 2 290.371 -0.272 20 0 CBADLP C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CC3CC[NH+]2CC3)C1 ZINC001142633574 814727000 /nfs/dbraw/zinc/72/70/00/814727000.db2.gz QNTJHKBGZXCTKL-OLZOCXBDSA-N 2 2 267.373 -0.083 20 0 CBADLP C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CC3CC[NH+]2CC3)C1 ZINC001142633574 814727008 /nfs/dbraw/zinc/72/70/08/814727008.db2.gz QNTJHKBGZXCTKL-OLZOCXBDSA-N 2 2 267.373 -0.083 20 0 CBADLP C[C@H](C[C@@H](C)[NH2+]CC(N)=O)NC(=O)Cn1cc[nH+]c1 ZINC001146759451 814847102 /nfs/dbraw/zinc/84/71/02/814847102.db2.gz WIYICKJZUGXCMO-NXEZZACHSA-N 2 2 267.333 -0.759 20 0 CBADLP C[C@H](C[C@@H](C)[NH2+]CCO)NC(=O)Cn1cc[nH+]c1 ZINC001146770160 814847206 /nfs/dbraw/zinc/84/72/06/814847206.db2.gz GHJSFOTXPFWLLG-GHMZBOCLSA-N 2 2 254.334 -0.252 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CC2CC1(C(=O)N1CCCC1)C2 ZINC001159695713 815590110 /nfs/dbraw/zinc/59/01/10/815590110.db2.gz FURJFZJJRQDBBU-WVIDZAQPSA-N 2 2 292.383 -0.854 20 0 CBADLP Cc1ccnc(C[NH2+]CCNC(=O)COCC[NH+](C)C)n1 ZINC001147842406 814919028 /nfs/dbraw/zinc/91/90/28/814919028.db2.gz WLRFPMZFGLZGNI-UHFFFAOYSA-N 2 2 295.387 -0.431 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NCC[NH2+]CCN1CCCC1=O ZINC001147878079 814922704 /nfs/dbraw/zinc/92/27/04/814922704.db2.gz RHRIYXZHGOJRAU-UHFFFAOYSA-N 2 2 293.371 -0.709 20 0 CBADLP Cc1nnc(C[NH2+]CCNC(=O)C[C@H]2CC[N@@H+](C)C2)o1 ZINC001147877934 814922895 /nfs/dbraw/zinc/92/28/95/814922895.db2.gz PXTKYSNGQVPBQW-LLVKDONJSA-N 2 2 281.360 -0.074 20 0 CBADLP Cc1nnc(C[NH2+]CCNC(=O)C[C@H]2CC[N@H+](C)C2)o1 ZINC001147877934 814922899 /nfs/dbraw/zinc/92/28/99/814922899.db2.gz PXTKYSNGQVPBQW-LLVKDONJSA-N 2 2 281.360 -0.074 20 0 CBADLP CN(CC1CC[NH+](C)CC1)C(=O)C1([NH3+])CC[NH2+]CC1 ZINC001160453761 815624140 /nfs/dbraw/zinc/62/41/40/815624140.db2.gz DGTJNTRSLQGWCW-UHFFFAOYSA-N 3 2 268.405 -0.133 20 0 CBADLP C[NH2+]CC1CCN(C(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)CC1 ZINC001160456271 815624993 /nfs/dbraw/zinc/62/49/93/815624993.db2.gz FJJIVNLUNNVGMO-TZMCWYRMSA-N 3 2 266.389 -0.604 20 0 CBADLP COC(=O)[C@@H]([NH3+])CC(=O)n1ccc([C@H]2CCC[NH2+]2)nc1=N ZINC001160539364 815634292 /nfs/dbraw/zinc/63/42/92/815634292.db2.gz QZEBBBQKFLDRKA-DTWKUNHWSA-N 2 2 293.327 -0.682 20 0 CBADLP CC[NH+]1CCC(N(C)C(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)CC1 ZINC001160537593 815634646 /nfs/dbraw/zinc/63/46/46/815634646.db2.gz NHLQVXLNUCJCFM-IUODEOHRSA-N 3 2 280.416 -0.119 20 0 CBADLP O=C(N1CCCC12COC2)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160541399 815635482 /nfs/dbraw/zinc/63/54/82/815635482.db2.gz BAWKEFWQMPSQBR-GXFFZTMASA-N 2 2 251.330 -0.671 20 0 CBADLP O=C(N1CCc2ncccc2C1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160548763 815635666 /nfs/dbraw/zinc/63/56/66/815635666.db2.gz KVVXICWRPXSYIV-SWLSCSKDSA-N 2 2 272.352 -0.082 20 0 CBADLP Cn1ncc2c1CN(C(=O)[C@@H]1C[C@H]3C[NH2+]C[C@H]3[NH2+]1)C2 ZINC001160565538 815638708 /nfs/dbraw/zinc/63/87/08/815638708.db2.gz RUPPWXYSGKDRAK-INTQDDNPSA-N 2 2 261.329 -0.788 20 0 CBADLP [NH3+]C1(C(=O)N2CCN(c3cccnn3)CC2)CC[NH2+]CC1 ZINC001160570101 815638886 /nfs/dbraw/zinc/63/88/86/815638886.db2.gz IRPJKULPYUJNNG-UHFFFAOYSA-N 2 2 290.371 -0.794 20 0 CBADLP CC(=O)OC[C@H]([NH3+])C(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC001160577614 815640100 /nfs/dbraw/zinc/64/01/00/815640100.db2.gz OHOLIQCGUBSNDW-NSHDSACASA-N 2 2 271.361 -0.181 20 0 CBADLP CCOC(=O)[C@@H]1CCCCN1C(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160580844 815640922 /nfs/dbraw/zinc/64/09/22/815640922.db2.gz CVZIRTYDNDZBQH-SLEUVZQESA-N 2 2 295.383 -0.118 20 0 CBADLP COC(C)(C)[C@@H]1CCCN1C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001160582002 815641231 /nfs/dbraw/zinc/64/12/31/815641231.db2.gz JRIFUELUNVKCQF-DCAQKATOSA-N 2 2 255.362 -0.051 20 0 CBADLP COC(=O)C[C@H]1CN(C(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)CCO1 ZINC001160595595 815643070 /nfs/dbraw/zinc/64/30/70/815643070.db2.gz GIPJSMIGCUOSAQ-QWRGUYRKSA-N 2 2 296.327 -0.930 20 0 CBADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)N2CCO[C@@H](C[NH3+])C2)cc1 ZINC001160646043 815650701 /nfs/dbraw/zinc/65/07/01/815650701.db2.gz USCGRIMGIPIGJZ-QWHCGFSZSA-N 3 2 278.356 -0.555 20 0 CBADLP C[C@H]1CC(=O)CCN1C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001160643090 815650836 /nfs/dbraw/zinc/65/08/36/815650836.db2.gz XPDBPEXQBUKMQW-CABZTGNLSA-N 2 2 264.329 -0.130 20 0 CBADLP CN(CC1COC1)C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001160645096 815651052 /nfs/dbraw/zinc/65/10/52/815651052.db2.gz MHNIVXJEJLBGAF-NSHDSACASA-N 2 2 252.318 -0.605 20 0 CBADLP O=C(N1CCC(=O)C(F)(F)C1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160663401 815654659 /nfs/dbraw/zinc/65/46/59/815654659.db2.gz GPLUIWPUMUZQSO-GZMMTYOYSA-N 2 2 273.283 -0.625 20 0 CBADLP CN(CCC1OCCO1)C(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160683936 815657223 /nfs/dbraw/zinc/65/72/23/815657223.db2.gz OUUIYCBSOBUGTO-ZWNOBZJWSA-N 2 2 269.345 -0.841 20 0 CBADLP CN(Cc1ccon1)C(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160689461 815657338 /nfs/dbraw/zinc/65/73/38/815657338.db2.gz XDALWHPWEZPNLV-BXKDBHETSA-N 2 2 250.302 -0.416 20 0 CBADLP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001160688730 815657389 /nfs/dbraw/zinc/65/73/89/815657389.db2.gz GBDHVFBNAYITOV-NWDGAFQWSA-N 3 2 289.383 -0.075 20 0 CBADLP O=C([C@@H]1C[NH2+]C[C@H]1O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001160692825 815658389 /nfs/dbraw/zinc/65/83/89/815658389.db2.gz FDSWXGHKJSDKKH-GMTAPVOTSA-N 2 2 264.329 -0.304 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC001160704332 815660262 /nfs/dbraw/zinc/66/02/62/815660262.db2.gz JPHWWDVLNGTIQC-LOWVWBTDSA-N 3 2 277.372 -0.690 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC001160704332 815660266 /nfs/dbraw/zinc/66/02/66/815660266.db2.gz JPHWWDVLNGTIQC-LOWVWBTDSA-N 3 2 277.372 -0.690 20 0 CBADLP Cn1cnnc1C1CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])CC1 ZINC001160704415 815660538 /nfs/dbraw/zinc/66/05/38/815660538.db2.gz DTDSFSWJUZBJEV-QWRGUYRKSA-N 2 2 278.360 -0.932 20 0 CBADLP O=C(N1CCO[C@H](C(F)(F)F)C1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160704997 815661765 /nfs/dbraw/zinc/66/17/65/815661765.db2.gz JWHNLTHTEINXDX-YWVKMMECSA-N 2 2 293.289 -0.272 20 0 CBADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(n2cnnc2)CC1 ZINC001160718904 815663283 /nfs/dbraw/zinc/66/32/83/815663283.db2.gz XEINTBZKWUYHSO-GFCCVEGCSA-N 2 2 289.343 -0.265 20 0 CBADLP O=C([C@@H]1COC[NH2+]1)N1CCC(n2cc[nH+]c2)CC1 ZINC001160725611 815664953 /nfs/dbraw/zinc/66/49/53/815664953.db2.gz CYXWPAUNRJIKDB-NSHDSACASA-N 2 2 250.302 -0.008 20 0 CBADLP O=C([C@@H]1C[NH2+]C[C@@H]1O)N1CCC(n2cc[nH+]c2)CC1 ZINC001160726224 815664995 /nfs/dbraw/zinc/66/49/95/815664995.db2.gz MKEQSBPSLGOEGF-NEPJUHHUSA-N 2 2 264.329 -0.373 20 0 CBADLP O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CCC(n2cc[nH+]c2)CC1 ZINC001160727102 815665622 /nfs/dbraw/zinc/66/56/22/815665622.db2.gz ZNBHDCSAFYNCJJ-RYUDHWBXSA-N 2 2 264.329 -0.231 20 0 CBADLP C[C@@H]1CO[C@@H]2CN(C(=O)C3([NH3+])CC[NH2+]CC3)C[C@H]12 ZINC001160756084 815667513 /nfs/dbraw/zinc/66/75/13/815667513.db2.gz FMGHTKSALZHSRF-GMTAPVOTSA-N 2 2 253.346 -0.439 20 0 CBADLP [NH3+]C1(C(=O)N2CCc3nccn3CC2)CC[NH2+]CC1 ZINC001160760317 815668755 /nfs/dbraw/zinc/66/87/55/815668755.db2.gz JXKQUEWGUXEECC-UHFFFAOYSA-N 2 2 263.345 -0.651 20 0 CBADLP C[C@@H]1CO[C@@H]2CN(C(=O)[C@@H]3C[C@H]4C[NH2+]C[C@H]4[NH2+]3)C[C@H]12 ZINC001160757108 815668883 /nfs/dbraw/zinc/66/88/83/815668883.db2.gz YRRYMAXBIBUAKK-HDLKOFKZSA-N 2 2 265.357 -0.570 20 0 CBADLP CNC(=O)C[NH2+]CCCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001160820668 815674520 /nfs/dbraw/zinc/67/45/20/815674520.db2.gz QTRRGLJOBDJICG-UHFFFAOYSA-N 2 2 295.387 -0.231 20 0 CBADLP COc1cc[nH+]cc1CC(=O)NCCC[NH2+]CC(N)=O ZINC001160838916 815675924 /nfs/dbraw/zinc/67/59/24/815675924.db2.gz OGNRPRFALXLUOU-UHFFFAOYSA-N 2 2 280.328 -0.786 20 0 CBADLP O=C(N1CCC(n2cccn2)CC1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160845330 815677817 /nfs/dbraw/zinc/67/78/17/815677817.db2.gz CECDVADEKLTQQU-IUODEOHRSA-N 2 2 289.383 -0.002 20 0 CBADLP [NH3+]C[C@@H](O)CC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001160845382 815677845 /nfs/dbraw/zinc/67/78/45/815677845.db2.gz DOBLHXREAIQMQO-JTQLQIEISA-N 2 2 252.318 -0.175 20 0 CBADLP [NH3+]C[C@@H](O)CC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC001160845382 815677849 /nfs/dbraw/zinc/67/78/49/815677849.db2.gz DOBLHXREAIQMQO-JTQLQIEISA-N 2 2 252.318 -0.175 20 0 CBADLP N[C@@H](C[NH3+])C(=O)N1CC[N@@H+]2CCc3ccccc3[C@H]2C1 ZINC001160848688 815679065 /nfs/dbraw/zinc/67/90/65/815679065.db2.gz HGKRXFMCGYILQC-UONOGXRCSA-N 2 2 274.368 -0.286 20 0 CBADLP N[C@@H](C[NH3+])C(=O)N1CC[N@H+]2CCc3ccccc3[C@H]2C1 ZINC001160848688 815679068 /nfs/dbraw/zinc/67/90/68/815679068.db2.gz HGKRXFMCGYILQC-UONOGXRCSA-N 2 2 274.368 -0.286 20 0 CBADLP O=C(C[NH2+]C1CC[NH2+]CC1)N(c1ncccn1)C1C[NH2+]C1 ZINC001160915572 815686343 /nfs/dbraw/zinc/68/63/43/815686343.db2.gz DFTLCGYXCTYRMT-UHFFFAOYSA-N 3 2 290.371 -0.877 20 0 CBADLP C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)C1([NH3+])CC[NH2+]CC1)C2 ZINC001160962650 815691036 /nfs/dbraw/zinc/69/10/36/815691036.db2.gz FKGPGBRPNWDIHX-DGCLKSJQSA-N 3 2 266.389 -0.523 20 0 CBADLP C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)[C@]13C[NH2+]C[C@H]1CC[NH2+]3)C2 ZINC001160962278 815691644 /nfs/dbraw/zinc/69/16/44/815691644.db2.gz BTYVRVMXYKYAFR-GBOPCIDUSA-N 3 2 278.400 -0.652 20 0 CBADLP C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)[C@@H]1C[C@H]3C[NH2+]C[C@H]3[NH2+]1)C2 ZINC001160965805 815691672 /nfs/dbraw/zinc/69/16/72/815691672.db2.gz YLENRNNIODOTRK-GGAZOKNXSA-N 3 2 278.400 -0.654 20 0 CBADLP [NH3+][C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)CC(F)(F)C1 ZINC001160969281 815692537 /nfs/dbraw/zinc/69/25/37/815692537.db2.gz ZHWGNYGJMFUYDM-PTRXPTGYSA-N 3 2 274.315 -0.867 20 0 CBADLP CC(C)OC1CN(C(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)C1 ZINC001161011175 815694913 /nfs/dbraw/zinc/69/49/13/815694913.db2.gz RVDPORVQTBOEKP-LBPRGKRZSA-N 2 2 266.345 -0.074 20 0 CBADLP O=C1C[NH2+]CCN1CCNc1nc(N2CCCC2)cc[nH+]1 ZINC001161018612 815697018 /nfs/dbraw/zinc/69/70/18/815697018.db2.gz AQIOBCRDZCEXNR-UHFFFAOYSA-N 2 2 290.371 -0.080 20 0 CBADLP COC(=O)[C@@H]([NH3+])CC(=O)N(C)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001161062980 815706741 /nfs/dbraw/zinc/70/67/41/815706741.db2.gz LIHYNIJNVMSDMZ-LPEHRKFASA-N 2 2 257.334 -0.395 20 0 CBADLP C[N@@H+]1CCC[C@H]2CN(C(=O)[C@@H]([NH3+])Cc3c[nH]cn3)C[C@@H]21 ZINC001161081349 815708857 /nfs/dbraw/zinc/70/88/57/815708857.db2.gz ITJSUPIDGDNUIN-DRZSPHRISA-N 2 2 277.372 -0.168 20 0 CBADLP C[N@H+]1CCC[C@H]2CN(C(=O)[C@@H]([NH3+])Cc3c[nH]cn3)C[C@@H]21 ZINC001161081349 815708864 /nfs/dbraw/zinc/70/88/64/815708864.db2.gz ITJSUPIDGDNUIN-DRZSPHRISA-N 2 2 277.372 -0.168 20 0 CBADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])C[C@H]21 ZINC001161081028 815708942 /nfs/dbraw/zinc/70/89/42/815708942.db2.gz CJYBHJABNMPZCX-NOOOWODRSA-N 3 2 252.362 -0.914 20 0 CBADLP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])C[C@H]21 ZINC001161081028 815708947 /nfs/dbraw/zinc/70/89/47/815708947.db2.gz CJYBHJABNMPZCX-NOOOWODRSA-N 3 2 252.362 -0.914 20 0 CBADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@H]([NH3+])Cc3c[nH]cn3)C[C@@H]21 ZINC001161081353 815709058 /nfs/dbraw/zinc/70/90/58/815709058.db2.gz ITJSUPIDGDNUIN-RTXFEEFZSA-N 2 2 277.372 -0.168 20 0 CBADLP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@H]([NH3+])Cc3c[nH]cn3)C[C@@H]21 ZINC001161081353 815709061 /nfs/dbraw/zinc/70/90/61/815709061.db2.gz ITJSUPIDGDNUIN-RTXFEEFZSA-N 2 2 277.372 -0.168 20 0 CBADLP C[N@@H+]1CCC[C@H]2CN(C(=O)C[NH2+]C3CC[NH2+]CC3)C[C@@H]21 ZINC001161081241 815709906 /nfs/dbraw/zinc/70/99/06/815709906.db2.gz HYRSRIUNPUSBMU-JSGCOSHPSA-N 3 2 280.416 -0.119 20 0 CBADLP C[N@H+]1CCC[C@H]2CN(C(=O)C[NH2+]C3CC[NH2+]CC3)C[C@@H]21 ZINC001161081241 815709908 /nfs/dbraw/zinc/70/99/08/815709908.db2.gz HYRSRIUNPUSBMU-JSGCOSHPSA-N 3 2 280.416 -0.119 20 0 CBADLP CN(C)c1cc(NCCN(CC[NH3+])N(O)N=O)nc[nH+]1 ZINC001161087004 815712028 /nfs/dbraw/zinc/71/20/28/815712028.db2.gz HGGUEAMFFCEQLO-UHFFFAOYSA-N 2 2 284.324 -0.497 20 0 CBADLP CC(=O)N1CCC[C@@H](N(C)C(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)C1 ZINC001161128779 815717147 /nfs/dbraw/zinc/71/71/47/815717147.db2.gz AMZTYEWTGHYFMT-OLZOCXBDSA-N 2 2 293.371 -0.251 20 0 CBADLP CCN(C(=O)[C@@H]([NH3+])Cc1cncn1C)C1C[NH+](C)C1 ZINC001161134666 815718329 /nfs/dbraw/zinc/71/83/29/815718329.db2.gz IFVOCXFSEPPFSD-LBPRGKRZSA-N 2 2 265.361 -0.548 20 0 CBADLP CC(=O)N1CCC[C@H](N(C)C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)C1 ZINC001161131602 815718954 /nfs/dbraw/zinc/71/89/54/815718954.db2.gz RBPNDACALKVKIB-WOPDTQHZSA-N 2 2 268.361 -0.855 20 0 CBADLP CCN(C(=O)[C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1)C1C[NH+](C)C1 ZINC001161138761 815720582 /nfs/dbraw/zinc/72/05/82/815720582.db2.gz YPEVLWPYRMMMCV-WCFLWFBJSA-N 2 2 267.373 -0.084 20 0 CBADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@H]2C[C@@H](C)CC[NH2+]2)C1 ZINC001161138790 815720590 /nfs/dbraw/zinc/72/05/90/815720590.db2.gz ZERWKJWRIAZNET-CWSCBRNRSA-N 2 2 269.345 -0.523 20 0 CBADLP CCC[N@H+]1C[C@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3CC[NH2+]4)C[C@H]2C1 ZINC001161175195 815725192 /nfs/dbraw/zinc/72/51/92/815725192.db2.gz IUDNWJKGSWDNQN-CTASWTNQSA-N 3 2 292.427 -0.262 20 0 CBADLP CCC[N@@H+]1C[C@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3CC[NH2+]4)C[C@H]2C1 ZINC001161175195 815725195 /nfs/dbraw/zinc/72/51/95/815725195.db2.gz IUDNWJKGSWDNQN-CTASWTNQSA-N 3 2 292.427 -0.262 20 0 CBADLP O=C(NCCC[NH2+]CCCO)[C@H]1CCn2c[nH+]cc2C1 ZINC001161215489 815728834 /nfs/dbraw/zinc/72/88/34/815728834.db2.gz UHABRNOZRNPLRV-LBPRGKRZSA-N 2 2 280.372 -0.076 20 0 CBADLP COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)C=C1CC[NH2+]CC1 ZINC001161236267 815731714 /nfs/dbraw/zinc/73/17/14/815731714.db2.gz CANIWGFROJYKTE-LBPRGKRZSA-N 2 2 281.356 -0.388 20 0 CBADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)C=C1CC[NH2+]CC1 ZINC001161236267 815731718 /nfs/dbraw/zinc/73/17/18/815731718.db2.gz CANIWGFROJYKTE-LBPRGKRZSA-N 2 2 281.356 -0.388 20 0 CBADLP COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]([NH3+])CC(F)F ZINC001161236032 815731820 /nfs/dbraw/zinc/73/18/20/815731820.db2.gz AFLNNRZQKWYQGV-YUMQZZPRSA-N 2 2 279.287 -0.716 20 0 CBADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]([NH3+])CC(F)F ZINC001161236032 815731824 /nfs/dbraw/zinc/73/18/24/815731824.db2.gz AFLNNRZQKWYQGV-YUMQZZPRSA-N 2 2 279.287 -0.716 20 0 CBADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H](n2ccnn2)C1 ZINC001161235701 815732256 /nfs/dbraw/zinc/73/22/56/815732256.db2.gz WHIHQPYUMVXPTQ-NEPJUHHUSA-N 2 2 289.343 -0.265 20 0 CBADLP COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CC[NH2+]C[C@H]1F ZINC001161238412 815732625 /nfs/dbraw/zinc/73/26/25/815732625.db2.gz SYZIZWXOEGGMIR-MXWKQRLJSA-N 2 2 287.335 -0.750 20 0 CBADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CC[NH2+]C[C@H]1F ZINC001161238412 815732631 /nfs/dbraw/zinc/73/26/31/815732631.db2.gz SYZIZWXOEGGMIR-MXWKQRLJSA-N 2 2 287.335 -0.750 20 0 CBADLP [NH3+]C[C@]1(F)CCN(C(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)C1 ZINC001161239606 815733395 /nfs/dbraw/zinc/73/33/95/815733395.db2.gz NJRUWYNTUAAFIJ-GXSJLCMTSA-N 3 2 255.297 -0.821 20 0 CBADLP [NH3+]C[C@]1(F)CCN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)C1 ZINC001161239890 815733770 /nfs/dbraw/zinc/73/37/70/815733770.db2.gz SZAHVDWPRQHGFY-IQIPOGNMSA-N 3 2 256.325 -0.893 20 0 CBADLP CN(C)C(=O)N[C@@H]1CCCN(C(=O)C2([NH3+])CC[NH2+]CC2)C1 ZINC001161289772 815737304 /nfs/dbraw/zinc/73/73/04/815737304.db2.gz UKFHEFHZMLVTSG-LLVKDONJSA-N 2 2 297.403 -0.671 20 0 CBADLP O=C(N1CCC2(CCC(=O)N2)CC1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001161296978 815737759 /nfs/dbraw/zinc/73/77/59/815737759.db2.gz PNTNWQSTTAVXSY-ABAIWWIYSA-N 2 2 292.383 -0.791 20 0 CBADLP O=C(NCCC[NH2+]CCCO)[C@H]1CCn2cc[nH+]c2C1 ZINC001161308730 815738125 /nfs/dbraw/zinc/73/81/25/815738125.db2.gz FDKDIAYEEMULRD-LBPRGKRZSA-N 2 2 280.372 -0.076 20 0 CBADLP COc1cc(N2CCN(C(=O)C[C@@H](O)C[NH3+])CC2)cc[nH+]1 ZINC001161305938 815738557 /nfs/dbraw/zinc/73/85/57/815738557.db2.gz CZRXDPMSYUFEMA-GFCCVEGCSA-N 2 2 294.355 -0.552 20 0 CBADLP CNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001161308929 815739634 /nfs/dbraw/zinc/73/96/34/815739634.db2.gz HJCQBUSDJHCMJL-LLVKDONJSA-N 2 2 293.371 -0.713 20 0 CBADLP C[C@H](O)C[NH2+]CCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001161314849 815739661 /nfs/dbraw/zinc/73/96/61/815739661.db2.gz LHUIHGAIXQWHJQ-RYUDHWBXSA-N 2 2 280.372 -0.078 20 0 CBADLP C[C@@H]([NH2+]CCCNC(=O)[C@H]1CCc2c[nH+]cn2C1)C(N)=O ZINC001161316675 815740245 /nfs/dbraw/zinc/74/02/45/815740245.db2.gz XZCFYIBONHGDBT-MNOVXSKESA-N 2 2 293.371 -0.585 20 0 CBADLP C[C@@H](O)C[NH2+]CCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001161314850 815740272 /nfs/dbraw/zinc/74/02/72/815740272.db2.gz LHUIHGAIXQWHJQ-VXGBXAGGSA-N 2 2 280.372 -0.078 20 0 CBADLP CCN(C(=O)C[C@H]([NH3+])C(=O)OC)[C@@H]1CCC[NH2+]C1 ZINC001161329688 815741056 /nfs/dbraw/zinc/74/10/56/815741056.db2.gz BVJSXGGYWBWYCA-ZJUUUORDSA-N 2 2 257.334 -0.523 20 0 CBADLP CCN(C(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2)[C@H]1CCC[NH2+]C1 ZINC001161331672 815741318 /nfs/dbraw/zinc/74/13/18/815741318.db2.gz FVQRBKQIXWUQJN-DYEKYZERSA-N 3 2 266.389 -0.462 20 0 CBADLP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C3([NH3+])CC[NH2+]CC3)C[C@H]12 ZINC001161413777 815751113 /nfs/dbraw/zinc/75/11/13/815751113.db2.gz REZGVCZJQDNNKD-OUAUKWLOSA-N 3 2 252.362 -0.737 20 0 CBADLP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3CC[NH2+]4)C[C@H]12 ZINC001161413346 815751254 /nfs/dbraw/zinc/75/12/54/815751254.db2.gz PJCPUGJKSURKSW-DIACKHNESA-N 3 2 264.373 -0.866 20 0 CBADLP CN1C(=O)CC[C@@H]2CN(C(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])CC[C@@H]21 ZINC001161481249 815758312 /nfs/dbraw/zinc/75/83/12/815758312.db2.gz CZBOBZJSADHNKW-RHYQMDGZSA-N 2 2 280.372 -0.998 20 0 CBADLP CCOC(=O)C[C@@H]1CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])C[C@@H]1C ZINC001161501195 815764927 /nfs/dbraw/zinc/76/49/27/815764927.db2.gz YOTXVXORWMJLMV-CYDGBPFRSA-N 2 2 297.399 -0.029 20 0 CBADLP Cc1nc2c(o1)CCN(C(=O)C1([NH3+])CC[NH2+]CC1)C2 ZINC001161522985 815766545 /nfs/dbraw/zinc/76/65/45/815766545.db2.gz JMLXIIJDUXHCIC-UHFFFAOYSA-N 2 2 264.329 -0.051 20 0 CBADLP CC(=O)[C@@H]1CCCN1C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001161527297 815767514 /nfs/dbraw/zinc/76/75/14/815767514.db2.gz YGWGJOJHBBCWCJ-DCQANWLSSA-N 2 2 251.330 -0.212 20 0 CBADLP CO[C@@H]1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)[C@H](C)C1 ZINC001161534041 815768119 /nfs/dbraw/zinc/76/81/19/815768119.db2.gz CMAVVSZTSUUBIO-CZXHOFHRSA-N 2 2 267.373 -0.036 20 0 CBADLP COC(=O)CC[C@H]1COCCN1C(=O)C1([NH3+])CC[NH2+]CC1 ZINC001161567575 815771749 /nfs/dbraw/zinc/77/17/49/815771749.db2.gz YDNIXNJSAOBRDC-NSHDSACASA-N 2 2 299.371 -0.752 20 0 CBADLP O=C(c1cnn2c1C[NH2+]CC2)N1CC[NH2+]C2(CC2)C1 ZINC001161556530 815771802 /nfs/dbraw/zinc/77/18/02/815771802.db2.gz QEBIIDFWKGECSQ-UHFFFAOYSA-N 2 2 261.329 -0.436 20 0 CBADLP C[NH+]1CCN(CCCNc2cnc(C[NH3+])nc2)CC1 ZINC001161708402 815781320 /nfs/dbraw/zinc/78/13/20/815781320.db2.gz HRHZFTCQOOMRHY-UHFFFAOYSA-N 2 2 264.377 -0.015 20 0 CBADLP CN1CC[NH+](CCCNc2cnc(C[NH3+])nc2)CC1 ZINC001161708402 815781326 /nfs/dbraw/zinc/78/13/26/815781326.db2.gz HRHZFTCQOOMRHY-UHFFFAOYSA-N 2 2 264.377 -0.015 20 0 CBADLP C[N@@H+]1CCc2ncnc(N[C@]34CC[NH2+][C@H]3CC(=O)N4)c2C1 ZINC001163242877 815872094 /nfs/dbraw/zinc/87/20/94/815872094.db2.gz RBOJNXQNXNRVBJ-SMDDNHRTSA-N 2 2 288.355 -0.546 20 0 CBADLP C[N@H+]1CCc2ncnc(N[C@]34CC[NH2+][C@H]3CC(=O)N4)c2C1 ZINC001163242877 815872097 /nfs/dbraw/zinc/87/20/97/815872097.db2.gz RBOJNXQNXNRVBJ-SMDDNHRTSA-N 2 2 288.355 -0.546 20 0 CBADLP O=C(NCCC[NH2+]CCO)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC001163283712 815876543 /nfs/dbraw/zinc/87/65/43/815876543.db2.gz SLQFICSMPLQTAR-CQSZACIVSA-N 2 2 299.415 -0.425 20 0 CBADLP O=C(NCCC[NH2+]CCO)[C@H]1COCC[N@H+]1CC1CCC1 ZINC001163283712 815876551 /nfs/dbraw/zinc/87/65/51/815876551.db2.gz SLQFICSMPLQTAR-CQSZACIVSA-N 2 2 299.415 -0.425 20 0 CBADLP C[N@H+](CCO)CCCNC(=O)CCn1cc[nH+]c1 ZINC001316839230 816888674 /nfs/dbraw/zinc/88/86/74/816888674.db2.gz ICPNOUYLEMLUJS-UHFFFAOYSA-N 2 2 254.334 -0.296 20 0 CBADLP C[N@@H+](CCO)CCCNC(=O)CCn1cc[nH+]c1 ZINC001316839230 816888680 /nfs/dbraw/zinc/88/86/80/816888680.db2.gz ICPNOUYLEMLUJS-UHFFFAOYSA-N 2 2 254.334 -0.296 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)N[C@H]1C[C@H]([NH2+]CCO)C1 ZINC001317083017 816929684 /nfs/dbraw/zinc/92/96/84/816929684.db2.gz QHJNQCCHHCMYQH-XYPYZODXSA-N 2 2 266.345 -0.418 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)[NH2+]CCCO ZINC001317257147 816951739 /nfs/dbraw/zinc/95/17/39/816951739.db2.gz SGXPAVNHODBWCZ-VXGBXAGGSA-N 2 2 280.372 -0.078 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)C[NH2+]C[C@H](C)O ZINC001319272132 817185293 /nfs/dbraw/zinc/18/52/93/817185293.db2.gz QFRCUSKPNPUERM-ZJUUUORDSA-N 2 2 268.361 -0.017 20 0 CBADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+][C@@H](C)C(N)=O ZINC001319291788 817186065 /nfs/dbraw/zinc/18/60/65/817186065.db2.gz SULASSBPOZDMGO-UWVGGRQHSA-N 2 2 267.333 -0.901 20 0 CBADLP CNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001319538641 817215503 /nfs/dbraw/zinc/21/55/03/817215503.db2.gz VDLPIJCLSUNIRZ-VIFPVBQESA-N 2 2 267.333 -0.865 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC001320144337 817282285 /nfs/dbraw/zinc/28/22/85/817282285.db2.gz BCOYHFRHSHTXKU-AGIUHOORSA-N 2 2 268.405 -0.182 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC001320144337 817282290 /nfs/dbraw/zinc/28/22/90/817282290.db2.gz BCOYHFRHSHTXKU-AGIUHOORSA-N 2 2 268.405 -0.182 20 0 CBADLP O=C(NC[C@H](O)C[NH2+]CCCF)[C@H]1CCn2c[nH+]cc2C1 ZINC001320243485 817302440 /nfs/dbraw/zinc/30/24/40/817302440.db2.gz TWSOGEXCRCNFSP-WCQYABFASA-N 2 2 298.362 -0.128 20 0 CBADLP C[C@H](CC[NH2+]Cc1ccon1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001320375461 817328973 /nfs/dbraw/zinc/32/89/73/817328973.db2.gz IIIWUQFTSJTTHD-DGCLKSJQSA-N 2 2 296.371 -0.010 20 0 CBADLP C[C@H](CC[NH2+]Cc1ccon1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001320375461 817328978 /nfs/dbraw/zinc/32/89/78/817328978.db2.gz IIIWUQFTSJTTHD-DGCLKSJQSA-N 2 2 296.371 -0.010 20 0 CBADLP C[C@@H](CC[NH2+]CC(N)=O)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001320575007 817356520 /nfs/dbraw/zinc/35/65/20/817356520.db2.gz YXJUOGKUUDVCRB-UWVGGRQHSA-N 2 2 281.360 -0.442 20 0 CBADLP C[C@@H](CC[NH2+]CC(N)=O)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001320575007 817356527 /nfs/dbraw/zinc/35/65/27/817356527.db2.gz YXJUOGKUUDVCRB-UWVGGRQHSA-N 2 2 281.360 -0.442 20 0 CBADLP C[C@@H](CC[NH2+]CCn1cncn1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001320588547 817359005 /nfs/dbraw/zinc/35/90/05/817359005.db2.gz YULXGHADZOBDIW-NSHDSACASA-N 2 2 291.359 -0.272 20 0 CBADLP C[C@H](CC[NH2+]Cc1nncn1C)NC(=O)Cn1cc[nH+]c1 ZINC001320652651 817368049 /nfs/dbraw/zinc/36/80/49/817368049.db2.gz NSYACIXFLVPRRA-LLVKDONJSA-N 2 2 291.359 -0.304 20 0 CBADLP CCN(CC[NH2+]CCn1cncn1)C(=O)Cc1[nH]cc[nH+]1 ZINC001320876781 817404987 /nfs/dbraw/zinc/40/49/87/817404987.db2.gz QCTCKPOFZFMXAH-UHFFFAOYSA-N 2 2 291.359 -0.318 20 0 CBADLP NC(=O)C[NH2+]C/C=C/CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001321126585 817444415 /nfs/dbraw/zinc/44/44/15/817444415.db2.gz OHTWWFTWNOFCRG-FMBMQGQPSA-N 2 2 291.355 -0.807 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC/C=C\C[NH2+]CC(=O)N1CCC1 ZINC001321271665 817471741 /nfs/dbraw/zinc/47/17/41/817471741.db2.gz ORKPSYMBOIPEJH-UPHRSURJSA-N 2 2 291.355 -0.554 20 0 CBADLP CC[C@H](C(=O)NC/C=C/C[NH2+]Cc1ncnn1C)[NH+](C)C ZINC001321335944 817484110 /nfs/dbraw/zinc/48/41/10/817484110.db2.gz IOGGVANGSYGYEM-NNNHXZLVSA-N 2 2 294.403 -0.083 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]C/C=C\CNC(=O)Cc1[nH]c[nH+]c1C ZINC001321363958 817489763 /nfs/dbraw/zinc/48/97/63/817489763.db2.gz TVFZNRZZLZFAEZ-DOGVGXBMSA-N 2 2 293.371 -0.343 20 0 CBADLP CN1CCN(c2cc(N3CC[C@@H]([NH3+])C3)nc[nH+]2)CC1=O ZINC001164279375 819897428 /nfs/dbraw/zinc/89/74/28/819897428.db2.gz PRUXEXMXMLYDNP-SNVBAGLBSA-N 2 2 276.344 -0.708 20 0 CBADLP Nc1ccc(N2CC(=O)NC3(CC[NH2+]CC3)C2)[nH+]c1 ZINC001165253120 819944864 /nfs/dbraw/zinc/94/48/64/819944864.db2.gz STKBHRIOBJYPTK-UHFFFAOYSA-N 2 2 261.329 -0.278 20 0 CBADLP Nc1cc(N2CCCO[C@]3(C[NH2+]CCOC3)C2)[nH+]cn1 ZINC001165344985 819957832 /nfs/dbraw/zinc/95/78/32/819957832.db2.gz HBDCBMFHHUDLAS-CYBMUJFWSA-N 2 2 279.344 -0.356 20 0 CBADLP COC(=O)[C@H]1C[NH2+]CCN1c1ncnc2c1C[NH2+]C2 ZINC001165435544 819961785 /nfs/dbraw/zinc/96/17/85/819961785.db2.gz CVKDDDCVWNMBJS-SNVBAGLBSA-N 2 2 263.301 -0.969 20 0 CBADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCC[NH2+]CCF ZINC001165731987 819981726 /nfs/dbraw/zinc/98/17/26/819981726.db2.gz SUJFJSRHEJTFRO-LBPRGKRZSA-N 2 2 299.350 -0.478 20 0 CBADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCC[NH2+]CCF ZINC001165731987 819981731 /nfs/dbraw/zinc/98/17/31/819981731.db2.gz SUJFJSRHEJTFRO-LBPRGKRZSA-N 2 2 299.350 -0.478 20 0 CBADLP CC[NH2+]CCCNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(C)=O ZINC001165732275 819982053 /nfs/dbraw/zinc/98/20/53/819982053.db2.gz WUNRTKIUSUZTBV-LBPRGKRZSA-N 2 2 281.360 -0.427 20 0 CBADLP CC[NH2+]CCCNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(C)=O ZINC001165732275 819982060 /nfs/dbraw/zinc/98/20/60/819982060.db2.gz WUNRTKIUSUZTBV-LBPRGKRZSA-N 2 2 281.360 -0.427 20 0 CBADLP CNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001166402622 819998074 /nfs/dbraw/zinc/99/80/74/819998074.db2.gz QSVGICCUSYZDFS-JTQLQIEISA-N 2 2 293.371 -0.329 20 0 CBADLP O=C(NCCC[NH2+]CCO)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001166401586 819998633 /nfs/dbraw/zinc/99/86/33/819998633.db2.gz HTQWRKGFFMKFHA-JTQLQIEISA-N 2 2 266.345 -0.082 20 0 CBADLP NC(=O)[C@H]1CN(c2cc[nH+]c(N3CCCCC3)n2)CC[NH2+]1 ZINC001166724959 820029643 /nfs/dbraw/zinc/02/96/43/820029643.db2.gz WAFDFSFSCHJTNT-LLVKDONJSA-N 2 2 290.371 -0.270 20 0 CBADLP [NH3+]C[C@H]1CN(c2ccc(N3CC[NH2+]CC3)c[nH+]2)CCO1 ZINC001166940255 820049857 /nfs/dbraw/zinc/04/98/57/820049857.db2.gz ZNJBHFNLANGITC-ZDUSSCGKSA-N 3 2 277.372 -0.345 20 0 CBADLP CNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001166960987 820053783 /nfs/dbraw/zinc/05/37/83/820053783.db2.gz MKTSHIJGPQRHII-GHMZBOCLSA-N 2 2 293.371 -0.635 20 0 CBADLP CC[C@H]([NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1)C(N)=O ZINC001167350029 820082013 /nfs/dbraw/zinc/08/20/13/820082013.db2.gz OOLVFGIOLKUZBM-JTQLQIEISA-N 2 2 267.333 -0.688 20 0 CBADLP CN1CC[C@H]([NH2+]CCCNC(=O)Cc2c[nH]c[nH+]2)C1=O ZINC001167349589 820082040 /nfs/dbraw/zinc/08/20/40/820082040.db2.gz BWZSVSKGSXGCSU-NSHDSACASA-N 2 2 279.344 -0.721 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NCCC[NH2+]CCNC(=O)C1CC1 ZINC001167350182 820082373 /nfs/dbraw/zinc/08/23/73/820082373.db2.gz PNHQAGKIWOLVOG-UHFFFAOYSA-N 2 2 293.371 -0.426 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NCCC[NH2+]CCN1CCCC1=O ZINC001167350208 820083498 /nfs/dbraw/zinc/08/34/98/820083498.db2.gz QNHQCBGFUWOEGC-UHFFFAOYSA-N 2 2 293.371 -0.330 20 0 CBADLP C[C@@H](CC(=O)NCCC[NH2+]CCOCCO)n1cc[nH+]c1 ZINC001167429293 820089195 /nfs/dbraw/zinc/08/91/95/820089195.db2.gz QWJORSLASHDOCA-ZDUSSCGKSA-N 2 2 298.387 -0.061 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NCCC1(C[NH2+]CCO)CC1 ZINC001167532440 820099896 /nfs/dbraw/zinc/09/98/96/820099896.db2.gz QHILARCROFPENL-UHFFFAOYSA-N 2 2 266.345 -0.179 20 0 CBADLP Cc1[nH+]cn(-c2ccc(-n3nnc(CC[NH3+])n3)nn2)c1C ZINC001167790631 820119561 /nfs/dbraw/zinc/11/95/61/820119561.db2.gz NGNTXLAJVIABOB-UHFFFAOYSA-N 2 2 285.315 -0.244 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001167977009 820136675 /nfs/dbraw/zinc/13/66/75/820136675.db2.gz FMWGKDHUNRITHN-WDEREUQCSA-N 2 2 295.387 -0.181 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001167977009 820136681 /nfs/dbraw/zinc/13/66/81/820136681.db2.gz FMWGKDHUNRITHN-WDEREUQCSA-N 2 2 295.387 -0.181 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCC[NH2+][C@@H]1CCNC1=O ZINC001167977729 820137257 /nfs/dbraw/zinc/13/72/57/820137257.db2.gz HZWBGXBDLNRVIL-ZYHUDNBSSA-N 2 2 293.371 -0.427 20 0 CBADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCC[NH2+][C@@H]1CCNC1=O ZINC001167977729 820137262 /nfs/dbraw/zinc/13/72/62/820137262.db2.gz HZWBGXBDLNRVIL-ZYHUDNBSSA-N 2 2 293.371 -0.427 20 0 CBADLP C[NH2+]Cc1cc(NC(=[NH2+])N2CC[NH+](C)CC2)ncn1 ZINC001168735291 820169248 /nfs/dbraw/zinc/16/92/48/820169248.db2.gz MKBHKIBUAKIZOA-UHFFFAOYSA-N 3 2 263.349 -0.210 20 0 CBADLP Cn1nc(NC(=[NH2+])N2CC[NH+](C)CC2)ccc1=O ZINC001168736999 820170009 /nfs/dbraw/zinc/17/00/09/820170009.db2.gz TYKBOUNSMKBEEL-UHFFFAOYSA-N 2 2 250.306 -0.626 20 0 CBADLP C[NH+]1CCN(C(=[NH2+])Nc2cn3ncnc3cn2)CC1 ZINC001168736773 820170517 /nfs/dbraw/zinc/17/05/17/820170517.db2.gz KHXRNJMWPVUPDC-UHFFFAOYSA-N 2 2 260.305 -0.282 20 0 CBADLP CCn1ncc(NC(=[NH2+])N2CC[NH+](C)CC2)cc1=O ZINC001168740650 820171129 /nfs/dbraw/zinc/17/11/29/820171129.db2.gz LMMQPEGEZVJHLS-UHFFFAOYSA-N 2 2 264.333 -0.143 20 0 CBADLP COC(OC)c1c(C[NH3+])ccnc1-n1[nH]c(=O)nc1C[NH3+] ZINC001168756749 820176531 /nfs/dbraw/zinc/17/65/31/820176531.db2.gz VILGZCKRDXMRGE-UHFFFAOYSA-N 2 2 294.315 -0.423 20 0 CBADLP Cc1[nH+]ccn1-c1ccc(-n2nnnc2C[NH3+])nn1 ZINC001168920571 820192366 /nfs/dbraw/zinc/19/23/66/820192366.db2.gz IUBIRCOBRSMCLS-UHFFFAOYSA-N 2 2 257.261 -0.595 20 0 CBADLP Cc1[nH+]cn(-c2ccc(-n3nnnc3C[NH3+])nn2)c1C ZINC001168921298 820192541 /nfs/dbraw/zinc/19/25/41/820192541.db2.gz YIAHTCPGSCGXGP-UHFFFAOYSA-N 2 2 271.288 -0.286 20 0 CBADLP [NH3+]Cc1nnnn1-c1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001168920703 820193083 /nfs/dbraw/zinc/19/30/83/820193083.db2.gz VMZSCQHTNZQOTE-UHFFFAOYSA-N 3 2 270.300 -0.545 20 0 CBADLP Cc1cc(N2CCOCC2)[nH+]cc1-n1nnnc1C[NH3+] ZINC001168920780 820193305 /nfs/dbraw/zinc/19/33/05/820193305.db2.gz ZCTJZOYDUWLVAY-UHFFFAOYSA-N 2 2 275.316 -0.339 20 0 CBADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccc2c(n1)CCNC2=O ZINC001169067097 820204055 /nfs/dbraw/zinc/20/40/55/820204055.db2.gz OQOQFMOGRFXMQL-SECBINFHSA-N 2 2 287.323 -0.585 20 0 CBADLP CC(=O)Nc1ccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nn1 ZINC001169072489 820204819 /nfs/dbraw/zinc/20/48/19/820204819.db2.gz SXBUXUBDYPLTFC-SECBINFHSA-N 2 2 276.300 -0.517 20 0 CBADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cn2ccnc2cn1 ZINC001169073157 820205282 /nfs/dbraw/zinc/20/52/82/820205282.db2.gz APPRIZRTAIHBFN-SECBINFHSA-N 2 2 258.285 -0.223 20 0 CBADLP COc1nc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nc(C)c1F ZINC001169072232 820205585 /nfs/dbraw/zinc/20/55/85/820205585.db2.gz PSRBXZROJASSAF-MRVPVSSYSA-N 2 2 281.291 -0.019 20 0 CBADLP COCCOc1cnc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)cn1 ZINC001169075462 820205590 /nfs/dbraw/zinc/20/55/90/820205590.db2.gz HFEPGTABKRPYNR-SNVBAGLBSA-N 2 2 293.327 -0.450 20 0 CBADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ncnn2cccc12 ZINC001169074274 820205663 /nfs/dbraw/zinc/20/56/63/820205663.db2.gz IQCODDNZMALAKI-SECBINFHSA-N 2 2 258.285 -0.223 20 0 CBADLP COc1nccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c1N ZINC001169072684 820205736 /nfs/dbraw/zinc/20/57/36/820205736.db2.gz ROLAMGONOWKUOL-MRVPVSSYSA-N 2 2 263.301 -0.280 20 0 CBADLP NC(=S)c1ccnc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c1 ZINC001169072200 820205713 /nfs/dbraw/zinc/20/57/13/820205713.db2.gz KMKBYJIBRJKDSO-SECBINFHSA-N 2 2 277.353 -0.236 20 0 CBADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCC[NH+](CCO)CCO)C2 ZINC001169094530 820206690 /nfs/dbraw/zinc/20/66/90/820206690.db2.gz METFKYJRQBPNFX-QKDCVEJESA-N 3 2 285.432 -0.122 20 0 CBADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCC[NH+](CCO)CCO)C2 ZINC001169094530 820206698 /nfs/dbraw/zinc/20/66/98/820206698.db2.gz METFKYJRQBPNFX-QKDCVEJESA-N 3 2 285.432 -0.122 20 0 CBADLP CN(C(=O)C[NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001169205567 820213849 /nfs/dbraw/zinc/21/38/49/820213849.db2.gz ZSPXQWRFHGMBCA-UHFFFAOYSA-N 2 2 293.371 -0.331 20 0 CBADLP CCN1CC[C@H]([NH2+]CCCNC(=O)Cc2[nH]cc[nH+]2)C1=O ZINC001169212569 820214116 /nfs/dbraw/zinc/21/41/16/820214116.db2.gz VRNMUDSSGBXDNY-NSHDSACASA-N 2 2 293.371 -0.331 20 0 CBADLP C[C@@H]([NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1)C(=O)N(C)C ZINC001169211315 820214934 /nfs/dbraw/zinc/21/49/34/820214934.db2.gz CXONVHPCPQUMNI-SNVBAGLBSA-N 2 2 281.360 -0.475 20 0 CBADLP CN1CC[C@@H]([NH2+]CCCNC(=O)Cc2[nH]cc[nH+]2)C1=O ZINC001169212781 820215258 /nfs/dbraw/zinc/21/52/58/820215258.db2.gz WWKODCTXWKDDAN-SNVBAGLBSA-N 2 2 279.344 -0.721 20 0 CBADLP CCOC(=O)[C@H]1CC[C@@H]([NH2+][C@@H]2COC[C@H]2[NH3+])CO1 ZINC001169321551 820230364 /nfs/dbraw/zinc/23/03/64/820230364.db2.gz MXGYPUBOZWZPDP-GWOFURMSSA-N 2 2 258.318 -0.587 20 0 CBADLP NC(=O)[C@H](CO)Nc1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001169338491 820240503 /nfs/dbraw/zinc/24/05/03/820240503.db2.gz CQSLWYSWCWYWBF-YPMHNXCESA-N 2 2 278.356 -0.522 20 0 CBADLP NC(=O)[C@H](CO)Nc1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001169338491 820240507 /nfs/dbraw/zinc/24/05/07/820240507.db2.gz CQSLWYSWCWYWBF-YPMHNXCESA-N 2 2 278.356 -0.522 20 0 CBADLP CC(=O)N1CC[C@H](NC(=[NH2+])N2CC[NH+](C)CC2)C1 ZINC001169501669 820248411 /nfs/dbraw/zinc/24/84/11/820248411.db2.gz BSZCYFYPIQKGMD-NSHDSACASA-N 2 2 253.350 -0.621 20 0 CBADLP CC(=O)N1CC[C@H](n2c[nH+]cc2CCNC(=O)CC[NH3+])C1 ZINC001169511186 820249499 /nfs/dbraw/zinc/24/94/99/820249499.db2.gz VJKGHWMORZWXJU-ZDUSSCGKSA-N 2 2 293.371 -0.316 20 0 CBADLP CC(=O)N1CC[C@@H]([NH2+]C2CC[NH+](CCO)CC2)C1 ZINC001169505276 820250282 /nfs/dbraw/zinc/25/02/82/820250282.db2.gz XKHGUHJNRDNRNJ-CYBMUJFWSA-N 2 2 255.362 -0.347 20 0 CBADLP CC(=O)N1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)C[NH+](C)C)C2)C1 ZINC001169564742 820257384 /nfs/dbraw/zinc/25/73/84/820257384.db2.gz ZOSBXMMIYJEWRQ-KGLIPLIRSA-N 2 2 296.415 -0.251 20 0 CBADLP CC(=O)N1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)C[NH+](C)C)C2)C1 ZINC001169564742 820257391 /nfs/dbraw/zinc/25/73/91/820257391.db2.gz ZOSBXMMIYJEWRQ-KGLIPLIRSA-N 2 2 296.415 -0.251 20 0 CBADLP [NH3+]C1CCN(c2nc(NC[C@@H]3COCC[NH2+]3)cc[nH+]2)CC1 ZINC001170035816 820274299 /nfs/dbraw/zinc/27/42/99/820274299.db2.gz PRSBRACIATUQJT-GFCCVEGCSA-N 3 2 292.387 -0.196 20 0 CBADLP CN1CCOc2c1cn[nH+]c2N[C@@H]1C[NH2+]C[C@@H]1CO ZINC001170775503 820319334 /nfs/dbraw/zinc/31/93/34/820319334.db2.gz NBKMLOIRUFDCIL-RKDXNWHRSA-N 2 2 265.317 -0.703 20 0 CBADLP Cn1ncc(C[NH2+]CCCNC(=O)Cc2c[nH+]cn2C)n1 ZINC001171236779 820352798 /nfs/dbraw/zinc/35/27/98/820352798.db2.gz BWSYEBDOTOISFE-UHFFFAOYSA-N 2 2 291.359 -0.613 20 0 CBADLP Cn1cc(C[NH2+]CCCNC(=O)Cc2c[nH+]cn2C)cn1 ZINC001171238180 820355406 /nfs/dbraw/zinc/35/54/06/820355406.db2.gz NXTRPMSEEYJYFM-UHFFFAOYSA-N 2 2 290.371 -0.008 20 0 CBADLP CN(C)C(=O)C[NH2+]CCCNC(=O)Cc1c[nH+]cn1C ZINC001171239246 820355477 /nfs/dbraw/zinc/35/54/77/820355477.db2.gz YUZVCGQDZIMCJB-UHFFFAOYSA-N 2 2 281.360 -0.853 20 0 CBADLP [NH3+]C[C@@H]1C[N@@H+]([C@H]2CCN(C3CC3)C(=O)C2)CCO1 ZINC001172000598 820374053 /nfs/dbraw/zinc/37/40/53/820374053.db2.gz QODYJMVCBJGRCV-NWDGAFQWSA-N 2 2 253.346 -0.201 20 0 CBADLP [NH3+]C[C@@H]1C[N@H+]([C@H]2CCN(C3CC3)C(=O)C2)CCO1 ZINC001172000598 820374064 /nfs/dbraw/zinc/37/40/64/820374064.db2.gz QODYJMVCBJGRCV-NWDGAFQWSA-N 2 2 253.346 -0.201 20 0 CBADLP CCN1CC[C@@H]([NH2+][C@H](CCC[NH3+])C(=O)OC)CC1=O ZINC001172028553 820378304 /nfs/dbraw/zinc/37/83/04/820378304.db2.gz JULWYIMYNUMMOB-GHMZBOCLSA-N 2 2 271.361 -0.133 20 0 CBADLP C[NH+]1CCN(C(=[NH2+])N[C@@H]2CCN3C(=O)CC[C@H]3C2)CC1 ZINC001172172001 820388635 /nfs/dbraw/zinc/38/86/35/820388635.db2.gz QBMLITIIZBKTFH-NEPJUHHUSA-N 2 2 279.388 -0.088 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCCC[NH2+][C@@H]1CCN(C)C1=O ZINC001174692586 820415960 /nfs/dbraw/zinc/41/59/60/820415960.db2.gz WFNZDKIMTRXAJN-LLVKDONJSA-N 2 2 293.371 -0.413 20 0 CBADLP C[C@H](O)C[NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+]1CCOCC1 ZINC001176675705 820456132 /nfs/dbraw/zinc/45/61/32/820456132.db2.gz LZXBVYOEDYVAQN-GXTWGEPZSA-N 2 2 299.415 -0.426 20 0 CBADLP O=C(NCCC[NH2+]CCCO)[C@H](C1CC1)[NH+]1CCOCC1 ZINC001176676744 820456264 /nfs/dbraw/zinc/45/62/64/820456264.db2.gz XMTLCNLCTAAVHD-AWEZNQCLSA-N 2 2 299.415 -0.425 20 0 CBADLP O=C(NCCC[NH2+]CCCO)[C@@H](C1CC1)[NH+]1CCOCC1 ZINC001176676745 820456378 /nfs/dbraw/zinc/45/63/78/820456378.db2.gz XMTLCNLCTAAVHD-CQSZACIVSA-N 2 2 299.415 -0.425 20 0 CBADLP O=C(NCCC[NH2+]CCO)[C@@H](C1CC1)[NH+]1CCOCC1 ZINC001176675583 820456559 /nfs/dbraw/zinc/45/65/59/820456559.db2.gz KKWZUKZLCGDLFK-CYBMUJFWSA-N 2 2 285.388 -0.815 20 0 CBADLP O=C(NCC[NH2+]CCO)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC001176969791 820484624 /nfs/dbraw/zinc/48/46/24/820484624.db2.gz GNHNJVFFEDCEHP-ZDUSSCGKSA-N 2 2 292.383 -0.004 20 0 CBADLP C[NH+](C)CCC(=O)N1CC[C@@H]2OCC[N@H+](CCO)[C@H]2C1 ZINC001177089856 820491927 /nfs/dbraw/zinc/49/19/27/820491927.db2.gz WEDOUGFVDMYWGX-STQMWFEESA-N 2 2 285.388 -0.768 20 0 CBADLP C[NH+](C)CCC(=O)N1CC[C@@H]2OCC[N@@H+](CCO)[C@H]2C1 ZINC001177089856 820491931 /nfs/dbraw/zinc/49/19/31/820491931.db2.gz WEDOUGFVDMYWGX-STQMWFEESA-N 2 2 285.388 -0.768 20 0 CBADLP C[NH+](C)CCC(=O)N1CC[C@@H]2OCC[N@H+](CCCO)[C@@H]2C1 ZINC001177089320 820492058 /nfs/dbraw/zinc/49/20/58/820492058.db2.gz RLSHTRVIKNQIDM-KGLIPLIRSA-N 2 2 299.415 -0.378 20 0 CBADLP C[NH+](C)CCC(=O)N1CC[C@@H]2OCC[N@@H+](CCCO)[C@@H]2C1 ZINC001177089320 820492061 /nfs/dbraw/zinc/49/20/61/820492061.db2.gz RLSHTRVIKNQIDM-KGLIPLIRSA-N 2 2 299.415 -0.378 20 0 CBADLP C[C@H]([NH2+]CCCNC(=O)Cn1cc[nH+]c1)C(=O)N(C)C ZINC001177404551 820511703 /nfs/dbraw/zinc/51/17/03/820511703.db2.gz DHBMTPJKYANSPP-NSHDSACASA-N 2 2 281.360 -0.544 20 0 CBADLP CC(C)(C)NC(=O)C[NH2+]CCCNC(=O)Cn1cc[nH+]c1 ZINC001177411323 820512910 /nfs/dbraw/zinc/51/29/10/820512910.db2.gz HARFHQHKULDUAL-UHFFFAOYSA-N 2 2 295.387 -0.106 20 0 CBADLP CN(CC(=O)NC1(C[NH3+])COC1)c1cccc[nH+]1 ZINC001177413930 820513484 /nfs/dbraw/zinc/51/34/84/820513484.db2.gz LLQHBJPCXSJZKU-UHFFFAOYSA-N 2 2 250.302 -0.638 20 0 CBADLP CN1CC[C@H]([NH2+]CCCNC(=O)Cn2cc[nH+]c2)C1=O ZINC001177411276 820513887 /nfs/dbraw/zinc/51/38/87/820513887.db2.gz AWXJYBCGVBKKIU-NSHDSACASA-N 2 2 279.344 -0.790 20 0 CBADLP C[C@H](C(=O)N(CC[NH3+])S(C)(=O)=O)n1cc[nH+]c1 ZINC001177922332 820549689 /nfs/dbraw/zinc/54/96/89/820549689.db2.gz TUQMJRCYBJNUHN-MRVPVSSYSA-N 2 2 260.319 -0.809 20 0 CBADLP [NH3+]CCN(CCNC(=O)CCc1[nH]cc[nH+]1)N(O)N=O ZINC001178000300 820552898 /nfs/dbraw/zinc/55/28/98/820552898.db2.gz IBYJTYDKKSKXKP-UHFFFAOYSA-N 2 2 285.308 -0.993 20 0 CBADLP C[NH+]1CCN(CC(=O)NC2C[NH+](C(C)(C)C)C2)CC1 ZINC001178955769 820610439 /nfs/dbraw/zinc/61/04/39/820610439.db2.gz AONCYFWSIBPUHO-UHFFFAOYSA-N 2 2 268.405 -0.167 20 0 CBADLP CNC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@H]1C ZINC001179783058 820641079 /nfs/dbraw/zinc/64/10/79/820641079.db2.gz ATMAQBMLVOLQNH-UWVGGRQHSA-N 2 2 279.344 -0.723 20 0 CBADLP CC[NH+](CC)CC(=O)N[C@H](Cc1c[nH+]cn1C)C(=O)OC ZINC001180390812 820677890 /nfs/dbraw/zinc/67/78/90/820677890.db2.gz IDWXFBAWGHSJKT-GFCCVEGCSA-N 2 2 296.371 -0.038 20 0 CBADLP C[NH+](C)C[C@@H]1COCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001180759266 820719519 /nfs/dbraw/zinc/71/95/19/820719519.db2.gz MKDIGRPMXKANFN-VXGBXAGGSA-N 2 2 271.361 -0.894 20 0 CBADLP C[NH+](C)C[C@@H]1COCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001180759266 820719526 /nfs/dbraw/zinc/71/95/26/820719526.db2.gz MKDIGRPMXKANFN-VXGBXAGGSA-N 2 2 271.361 -0.894 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)NC2C[NH+](C(C)(C)C)C2)C1 ZINC001180762652 820721522 /nfs/dbraw/zinc/72/15/22/820721522.db2.gz OOLRLFMKLVFDCH-NSHDSACASA-N 2 2 255.362 -0.084 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)NC2C[NH+](C(C)(C)C)C2)C1 ZINC001180762652 820721531 /nfs/dbraw/zinc/72/15/31/820721531.db2.gz OOLRLFMKLVFDCH-NSHDSACASA-N 2 2 255.362 -0.084 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N(C2COC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001180763593 820724681 /nfs/dbraw/zinc/72/46/81/820724681.db2.gz KBKOKYSDNYZBAM-OBJOEFQTSA-N 2 2 297.399 -0.186 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N(C2COC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001180763593 820724689 /nfs/dbraw/zinc/72/46/89/820724689.db2.gz KBKOKYSDNYZBAM-OBJOEFQTSA-N 2 2 297.399 -0.186 20 0 CBADLP C[N@@H+]1CCO[C@H](CNC(=O)C23CC[NH+](CC2)CC3)C1 ZINC001181551306 820797125 /nfs/dbraw/zinc/79/71/25/820797125.db2.gz BSBSOXBTNKIAKZ-GFCCVEGCSA-N 2 2 267.373 -0.081 20 0 CBADLP C[N@H+]1CCO[C@H](CNC(=O)C23CC[NH+](CC2)CC3)C1 ZINC001181551306 820797132 /nfs/dbraw/zinc/79/71/32/820797132.db2.gz BSBSOXBTNKIAKZ-GFCCVEGCSA-N 2 2 267.373 -0.081 20 0 CBADLP COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001182014885 820849160 /nfs/dbraw/zinc/84/91/60/820849160.db2.gz YIKCRHSUBBXXNA-QWHCGFSZSA-N 2 2 295.383 -0.356 20 0 CBADLP COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001182014885 820849168 /nfs/dbraw/zinc/84/91/68/820849168.db2.gz YIKCRHSUBBXXNA-QWHCGFSZSA-N 2 2 295.383 -0.356 20 0 CBADLP Cc1c[nH]c(CCNC(=O)C2(O)CC[NH+](C)CC2)[nH+]1 ZINC001182033180 820855537 /nfs/dbraw/zinc/85/55/37/820855537.db2.gz NSZZLAMEURYEIT-UHFFFAOYSA-N 2 2 266.345 -0.166 20 0 CBADLP CN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001182204995 820890904 /nfs/dbraw/zinc/89/09/04/820890904.db2.gz YDYDZSRBZPUIGW-LLVKDONJSA-N 2 2 293.371 -0.379 20 0 CBADLP COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001182220666 820892196 /nfs/dbraw/zinc/89/21/96/820892196.db2.gz OQXSBWADAYCRAX-NEPJUHHUSA-N 2 2 296.371 -0.460 20 0 CBADLP O=C(CCc1[nH]cc[nH+]1)N1CC[C@@H]([NH2+]CCOCCO)C1 ZINC001182221040 820892969 /nfs/dbraw/zinc/89/29/69/820892969.db2.gz VQBSFPRLSHJXGN-GFCCVEGCSA-N 2 2 296.371 -0.458 20 0 CBADLP C[C@H]([NH2+][C@H]1CCCNC(=O)C1)[C@@H]1C[N@H+](C)CCN1C ZINC001183919026 821040321 /nfs/dbraw/zinc/04/03/21/821040321.db2.gz FCRHBAZSCCCWRW-AVGNSLFASA-N 2 2 268.405 -0.121 20 0 CBADLP C[C@H]([NH2+][C@H]1CCCNC(=O)C1)[C@@H]1C[N@@H+](C)CCN1C ZINC001183919026 821040333 /nfs/dbraw/zinc/04/03/33/821040333.db2.gz FCRHBAZSCCCWRW-AVGNSLFASA-N 2 2 268.405 -0.121 20 0 CBADLP C[C@H]([NH2+][C@@H]1CCCNC(=O)C1)[C@@H]1C[N@H+](C)CCN1C ZINC001183919030 821040661 /nfs/dbraw/zinc/04/06/61/821040661.db2.gz FCRHBAZSCCCWRW-XQQFMLRXSA-N 2 2 268.405 -0.121 20 0 CBADLP C[C@H]([NH2+][C@@H]1CCCNC(=O)C1)[C@@H]1C[N@@H+](C)CCN1C ZINC001183919030 821040670 /nfs/dbraw/zinc/04/06/70/821040670.db2.gz FCRHBAZSCCCWRW-XQQFMLRXSA-N 2 2 268.405 -0.121 20 0 CBADLP C[C@H]([NH2+][C@H]1CCCNC(=O)C1)[C@H]1C[N@H+](C)CCN1C ZINC001183919029 821041123 /nfs/dbraw/zinc/04/11/23/821041123.db2.gz FCRHBAZSCCCWRW-RWMBFGLXSA-N 2 2 268.405 -0.121 20 0 CBADLP C[C@H]([NH2+][C@H]1CCCNC(=O)C1)[C@H]1C[N@@H+](C)CCN1C ZINC001183919029 821041132 /nfs/dbraw/zinc/04/11/32/821041132.db2.gz FCRHBAZSCCCWRW-RWMBFGLXSA-N 2 2 268.405 -0.121 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001184710162 821082577 /nfs/dbraw/zinc/08/25/77/821082577.db2.gz SRDKPNXDJJDBSH-VXGBXAGGSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@@H]1C[NH2+]CC(N)=O ZINC001185202621 821104098 /nfs/dbraw/zinc/10/40/98/821104098.db2.gz AULJNNLEOQDTAK-GHMZBOCLSA-N 2 2 293.371 -0.488 20 0 CBADLP Cc1[nH]c2c([nH+]1)CCN(C(=O)[C@H]1C[N@@H+](C)CCN1C)CC2 ZINC001185246446 821108199 /nfs/dbraw/zinc/10/81/99/821108199.db2.gz UXRUXEVHAJTKHV-CQSZACIVSA-N 2 2 291.399 -0.109 20 0 CBADLP Cc1[nH]c2c([nH+]1)CCN(C(=O)[C@H]1C[N@H+](C)CCN1C)CC2 ZINC001185246446 821108205 /nfs/dbraw/zinc/10/82/05/821108205.db2.gz UXRUXEVHAJTKHV-CQSZACIVSA-N 2 2 291.399 -0.109 20 0 CBADLP CN1CC[N@H+](C)C[C@H]1C(=O)NCC1([NH+]2CCCC2)COC1 ZINC001185263258 821117127 /nfs/dbraw/zinc/11/71/27/821117127.db2.gz SYUFYIZEVMLROP-ZDUSSCGKSA-N 2 2 296.415 -0.787 20 0 CBADLP CN1CC[N@@H+](C)C[C@H]1C(=O)NCC1([NH+]2CCCC2)COC1 ZINC001185263258 821117129 /nfs/dbraw/zinc/11/71/29/821117129.db2.gz SYUFYIZEVMLROP-ZDUSSCGKSA-N 2 2 296.415 -0.787 20 0 CBADLP CN1CC[N@H+](C)C[C@@H]1C(=O)NC1CC[NH+](CCF)CC1 ZINC001185266464 821119991 /nfs/dbraw/zinc/11/99/91/821119991.db2.gz ANSGPDWJKFEMPO-CYBMUJFWSA-N 2 2 286.395 -0.218 20 0 CBADLP CN1CC[N@@H+](C)C[C@@H]1C(=O)NC1CC[NH+](CCF)CC1 ZINC001185266464 821119996 /nfs/dbraw/zinc/11/99/96/821119996.db2.gz ANSGPDWJKFEMPO-CYBMUJFWSA-N 2 2 286.395 -0.218 20 0 CBADLP C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@@H]1C[NH2+]CC(N)=O ZINC001185381836 821126055 /nfs/dbraw/zinc/12/60/55/821126055.db2.gz SNLQJMKYMANHGA-WDEREUQCSA-N 2 2 293.371 -0.488 20 0 CBADLP C[C@H]([NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1)C(=O)N(C)C ZINC001185924994 821147352 /nfs/dbraw/zinc/14/73/52/821147352.db2.gz IYXDHTQRZMXETD-WDEREUQCSA-N 2 2 293.371 -0.381 20 0 CBADLP [NH3+]Cc1ncccc1NC(=O)C[N@@H+]1CC[C@H](O)C1 ZINC001186054296 821161271 /nfs/dbraw/zinc/16/12/71/821161271.db2.gz CFMKUSILXOVPEE-VIFPVBQESA-N 2 2 250.302 -0.455 20 0 CBADLP [NH3+]Cc1ncccc1NC(=O)C[N@H+]1CC[C@H](O)C1 ZINC001186054296 821161279 /nfs/dbraw/zinc/16/12/79/821161279.db2.gz CFMKUSILXOVPEE-VIFPVBQESA-N 2 2 250.302 -0.455 20 0 CBADLP CN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001186576042 821189450 /nfs/dbraw/zinc/18/94/50/821189450.db2.gz JKWPSWTWYDINAX-SNVBAGLBSA-N 2 2 279.344 -0.769 20 0 CBADLP COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001186576749 821189616 /nfs/dbraw/zinc/18/96/16/821189616.db2.gz YFSUIRKLRUPSPE-MNOVXSKESA-N 2 2 282.344 -0.850 20 0 CBADLP CCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001186576051 821189728 /nfs/dbraw/zinc/18/97/28/821189728.db2.gz JTBKGNBNQXXSEB-LLVKDONJSA-N 2 2 293.371 -0.331 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001187091696 821212467 /nfs/dbraw/zinc/21/24/67/821212467.db2.gz LJQVQHFHTIBXMV-GHMZBOCLSA-N 2 2 293.371 -0.712 20 0 CBADLP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001187509704 822280339 /nfs/dbraw/zinc/28/03/39/822280339.db2.gz VVRKRBLRGIGFSX-LLVKDONJSA-N 2 2 293.371 -0.711 20 0 CBADLP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]CCCO ZINC001281449935 828416887 /nfs/dbraw/zinc/41/68/87/828416887.db2.gz FYJAFXMNMMDFSG-CMPLNLGQSA-N 2 2 266.345 -0.229 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CC[C@H](C[NH2+]CCO)C1 ZINC001284224466 828576645 /nfs/dbraw/zinc/57/66/45/828576645.db2.gz IZQKQFWRZFSJSD-QWRGUYRKSA-N 2 2 266.345 -0.181 20 0 CBADLP CNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001191361090 823888254 /nfs/dbraw/zinc/88/82/54/823888254.db2.gz VZLARUAOYJVXQT-LBPRGKRZSA-N 2 2 293.371 -0.530 20 0 CBADLP CNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001191361090 823888261 /nfs/dbraw/zinc/88/82/61/823888261.db2.gz VZLARUAOYJVXQT-LBPRGKRZSA-N 2 2 293.371 -0.530 20 0 CBADLP CC(C)OCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001191802237 823924062 /nfs/dbraw/zinc/92/40/62/823924062.db2.gz NIONDAJMDFQUPK-MGPQQGTHSA-N 2 2 299.415 -0.333 20 0 CBADLP CC(C)OCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001191802237 823924067 /nfs/dbraw/zinc/92/40/67/823924067.db2.gz NIONDAJMDFQUPK-MGPQQGTHSA-N 2 2 299.415 -0.333 20 0 CBADLP CC(C)OCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001191802237 823924071 /nfs/dbraw/zinc/92/40/71/823924071.db2.gz NIONDAJMDFQUPK-MGPQQGTHSA-N 2 2 299.415 -0.333 20 0 CBADLP CC(C)OCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001191802237 823924076 /nfs/dbraw/zinc/92/40/76/823924076.db2.gz NIONDAJMDFQUPK-MGPQQGTHSA-N 2 2 299.415 -0.333 20 0 CBADLP Cn1nncc1C[N@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192153876 823952858 /nfs/dbraw/zinc/95/28/58/823952858.db2.gz XPPVZZVIZYBIIV-GFCCVEGCSA-N 2 2 294.403 -0.201 20 0 CBADLP Cn1nncc1C[N@@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192153876 823952860 /nfs/dbraw/zinc/95/28/60/823952860.db2.gz XPPVZZVIZYBIIV-GFCCVEGCSA-N 2 2 294.403 -0.201 20 0 CBADLP COC[C@@H](O)C[N@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001192551781 823975538 /nfs/dbraw/zinc/97/55/38/823975538.db2.gz SNOQHBCUYBKQHP-STQMWFEESA-N 2 2 296.371 -0.508 20 0 CBADLP COC[C@@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001192551781 823975543 /nfs/dbraw/zinc/97/55/43/823975543.db2.gz SNOQHBCUYBKQHP-STQMWFEESA-N 2 2 296.371 -0.508 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]([N@H+](C)CCCO)C1 ZINC001193463751 824029837 /nfs/dbraw/zinc/02/98/37/824029837.db2.gz YBYYOKBXPFJVOM-LBPRGKRZSA-N 2 2 280.372 -0.122 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]([N@@H+](C)CCCO)C1 ZINC001193463751 824029839 /nfs/dbraw/zinc/02/98/39/824029839.db2.gz YBYYOKBXPFJVOM-LBPRGKRZSA-N 2 2 280.372 -0.122 20 0 CBADLP C[N@H+](CCOCCO)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194448749 824073878 /nfs/dbraw/zinc/07/38/78/824073878.db2.gz LGVJSFJYPRPNOV-CYBMUJFWSA-N 2 2 296.371 -0.575 20 0 CBADLP C[N@@H+](CCOCCO)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194448749 824073883 /nfs/dbraw/zinc/07/38/83/824073883.db2.gz LGVJSFJYPRPNOV-CYBMUJFWSA-N 2 2 296.371 -0.575 20 0 CBADLP C[N@H+](CCCO)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194457837 824074283 /nfs/dbraw/zinc/07/42/83/824074283.db2.gz BKZAMQBFVHSKAA-LBPRGKRZSA-N 2 2 266.345 -0.202 20 0 CBADLP C[N@@H+](CCCO)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194457837 824074284 /nfs/dbraw/zinc/07/42/84/824074284.db2.gz BKZAMQBFVHSKAA-LBPRGKRZSA-N 2 2 266.345 -0.202 20 0 CBADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@@H+](CC2CC2)C[C@H]1O ZINC001195149049 824103986 /nfs/dbraw/zinc/10/39/86/824103986.db2.gz IMPUHNDZRVMJLG-CHWSQXEVSA-N 2 2 278.356 -0.156 20 0 CBADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@H+](CC2CC2)C[C@H]1O ZINC001195149049 824103991 /nfs/dbraw/zinc/10/39/91/824103991.db2.gz IMPUHNDZRVMJLG-CHWSQXEVSA-N 2 2 278.356 -0.156 20 0 CBADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](CCF)C[C@H]1O ZINC001195702123 824128058 /nfs/dbraw/zinc/12/80/58/824128058.db2.gz ZDJRFLUOFHXNNN-GHMZBOCLSA-N 2 2 261.341 -0.541 20 0 CBADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1O ZINC001195702123 824128060 /nfs/dbraw/zinc/12/80/60/824128060.db2.gz ZDJRFLUOFHXNNN-GHMZBOCLSA-N 2 2 261.341 -0.541 20 0 CBADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2ccccn2)C[C@H]1O ZINC001195850946 824134225 /nfs/dbraw/zinc/13/42/25/824134225.db2.gz PSWFYEKJQITDKA-ZIAGYGMSSA-N 2 2 292.383 -0.305 20 0 CBADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2ccccn2)C[C@H]1O ZINC001195850946 824134227 /nfs/dbraw/zinc/13/42/27/824134227.db2.gz PSWFYEKJQITDKA-ZIAGYGMSSA-N 2 2 292.383 -0.305 20 0 CBADLP C[NH+](C)CCC(=O)N1CCC[N@H+](CC(=O)NC2CC2)CC1 ZINC001197043616 824177342 /nfs/dbraw/zinc/17/73/42/824177342.db2.gz JEPPLEUWPADHLA-UHFFFAOYSA-N 2 2 296.415 -0.249 20 0 CBADLP C[NH+](C)CCC(=O)N1CCC[N@@H+](CC(=O)NC2CC2)CC1 ZINC001197043616 824177345 /nfs/dbraw/zinc/17/73/45/824177345.db2.gz JEPPLEUWPADHLA-UHFFFAOYSA-N 2 2 296.415 -0.249 20 0 CBADLP CC[N@H+](C)CCC(=O)N1CCC[NH+](CC(=O)NC)CC1 ZINC001197707939 824200437 /nfs/dbraw/zinc/20/04/37/824200437.db2.gz SCPXGEMQMLRLBB-UHFFFAOYSA-N 2 2 284.404 -0.392 20 0 CBADLP CC[N@@H+](C)CCC(=O)N1CCC[NH+](CC(=O)NC)CC1 ZINC001197707939 824200443 /nfs/dbraw/zinc/20/04/43/824200443.db2.gz SCPXGEMQMLRLBB-UHFFFAOYSA-N 2 2 284.404 -0.392 20 0 CBADLP CC[NH+](C)CCC(=O)N1CCC[N@H+](CC(=O)NC)CC1 ZINC001197707939 824200449 /nfs/dbraw/zinc/20/04/49/824200449.db2.gz SCPXGEMQMLRLBB-UHFFFAOYSA-N 2 2 284.404 -0.392 20 0 CBADLP CC[NH+](C)CCC(=O)N1CCC[N@@H+](CC(=O)NC)CC1 ZINC001197707939 824200456 /nfs/dbraw/zinc/20/04/56/824200456.db2.gz SCPXGEMQMLRLBB-UHFFFAOYSA-N 2 2 284.404 -0.392 20 0 CBADLP CCC[N@@H+](C)CC(=O)N1CCC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001197914515 824209875 /nfs/dbraw/zinc/20/98/75/824209875.db2.gz UASCTLASADJUED-CYBMUJFWSA-N 2 2 296.415 -0.249 20 0 CBADLP CCC[NH+](C)CC(=O)N1CCC[N@@H+]([C@@H]2CCNC2=O)CC1 ZINC001197914515 824209883 /nfs/dbraw/zinc/20/98/83/824209883.db2.gz UASCTLASADJUED-CYBMUJFWSA-N 2 2 296.415 -0.249 20 0 CBADLP CCC[NH+](C)CC(=O)N1CCC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC001197914515 824209890 /nfs/dbraw/zinc/20/98/90/824209890.db2.gz UASCTLASADJUED-CYBMUJFWSA-N 2 2 296.415 -0.249 20 0 CBADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCF)C[C@H]1O ZINC001198029691 824215600 /nfs/dbraw/zinc/21/56/00/824215600.db2.gz VOUFWZKGRDWLQQ-VXGBXAGGSA-N 2 2 275.368 -0.151 20 0 CBADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCF)C[C@H]1O ZINC001198029691 824215604 /nfs/dbraw/zinc/21/56/04/824215604.db2.gz VOUFWZKGRDWLQQ-VXGBXAGGSA-N 2 2 275.368 -0.151 20 0 CBADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCF)C[C@H]1O ZINC001198029691 824215606 /nfs/dbraw/zinc/21/56/06/824215606.db2.gz VOUFWZKGRDWLQQ-VXGBXAGGSA-N 2 2 275.368 -0.151 20 0 CBADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1O ZINC001198029691 824215612 /nfs/dbraw/zinc/21/56/12/824215612.db2.gz VOUFWZKGRDWLQQ-VXGBXAGGSA-N 2 2 275.368 -0.151 20 0 CBADLP COC[C@H](O)C[N@@H+]1CCCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001198368035 824225707 /nfs/dbraw/zinc/22/57/07/824225707.db2.gz KHGPQYBMQFEWTO-CYBMUJFWSA-N 2 2 296.371 -0.575 20 0 CBADLP CN(C)c1cc[nH+]cc1C[NH2+]CCNS(C)(=O)=O ZINC001200135335 824308456 /nfs/dbraw/zinc/30/84/56/824308456.db2.gz KUNFWXXRUCOEGT-UHFFFAOYSA-N 2 2 272.374 -0.214 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CCCO[C@@H](C[NH2+]CCCO)C1 ZINC001201493535 824333127 /nfs/dbraw/zinc/33/31/27/824333127.db2.gz GCILQZIPSOZHNC-ZDUSSCGKSA-N 2 2 296.371 -0.458 20 0 CBADLP C[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCCO1 ZINC001202217307 824343084 /nfs/dbraw/zinc/34/30/84/824343084.db2.gz PBTQJVATSJBSHP-QWHCGFSZSA-N 2 2 296.371 -0.529 20 0 CBADLP COC[C@H](O)C[NH2+]C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001202666946 824350675 /nfs/dbraw/zinc/35/06/75/824350675.db2.gz DSRJKMCHBUVNBP-CYBMUJFWSA-N 2 2 296.371 -0.460 20 0 CBADLP C[NH+]1CCN(C2C[NH+](C[C@H]3CCC(=O)N3)C2)CC1 ZINC001202902431 824355331 /nfs/dbraw/zinc/35/53/31/824355331.db2.gz JLRXNNLDPHHALA-LLVKDONJSA-N 2 2 252.362 -0.803 20 0 CBADLP CNC(=O)C[NH2+]C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001203051791 824357907 /nfs/dbraw/zinc/35/79/07/824357907.db2.gz HXZORYXUHALYDW-UHFFFAOYSA-N 2 2 279.344 -0.721 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001203051776 824358364 /nfs/dbraw/zinc/35/83/64/824358364.db2.gz HRSFDWVRCDMCQW-JTQLQIEISA-N 2 2 293.371 -0.333 20 0 CBADLP NC(=O)C[NH2+]CC1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001205118909 824374703 /nfs/dbraw/zinc/37/47/03/824374703.db2.gz HHHWAGWBLITBEM-UHFFFAOYSA-N 2 2 293.371 -0.344 20 0 CBADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(OCCO)cc2)C[C@H]1O ZINC001205953087 824389967 /nfs/dbraw/zinc/38/99/67/824389967.db2.gz KNTZADYUKYLERF-ZIAGYGMSSA-N 2 2 266.341 -0.048 20 0 CBADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(OCCO)cc2)C[C@H]1O ZINC001205953087 824389969 /nfs/dbraw/zinc/38/99/69/824389969.db2.gz KNTZADYUKYLERF-ZIAGYGMSSA-N 2 2 266.341 -0.048 20 0 CBADLP C[C@H]1C[NH2+]CC[N@H+](C[C@@H]2O[C@H]3OC(C)(C)O[C@H]3[C@@H]2O)C1 ZINC001206269710 824396653 /nfs/dbraw/zinc/39/66/53/824396653.db2.gz SKPKFOQOVIYRLD-WJTVCTBASA-N 2 2 286.372 -0.235 20 0 CBADLP C[C@H]1C[NH2+]CC[N@@H+](C[C@@H]2O[C@H]3OC(C)(C)O[C@H]3[C@@H]2O)C1 ZINC001206269710 824396660 /nfs/dbraw/zinc/39/66/60/824396660.db2.gz SKPKFOQOVIYRLD-WJTVCTBASA-N 2 2 286.372 -0.235 20 0 CBADLP COC(=O)c1ccc(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)nc1 ZINC001206470424 824401066 /nfs/dbraw/zinc/40/10/66/824401066.db2.gz XFNPAKQXBMMVQK-CMPLNLGQSA-N 2 2 265.313 -0.380 20 0 CBADLP COC(=O)c1ccc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)nc1 ZINC001206470424 824401067 /nfs/dbraw/zinc/40/10/67/824401067.db2.gz XFNPAKQXBMMVQK-CMPLNLGQSA-N 2 2 265.313 -0.380 20 0 CBADLP COCCn1cc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cn1 ZINC001206520829 824401602 /nfs/dbraw/zinc/40/16/02/824401602.db2.gz XBRVQVTWLHSEDD-RYUDHWBXSA-N 2 2 254.334 -0.719 20 0 CBADLP COCCn1cc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cn1 ZINC001206520829 824401606 /nfs/dbraw/zinc/40/16/06/824401606.db2.gz XBRVQVTWLHSEDD-RYUDHWBXSA-N 2 2 254.334 -0.719 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC(C[NH2+]CC(N)=O)CC1 ZINC001206898425 824409353 /nfs/dbraw/zinc/40/93/53/824409353.db2.gz QOMYVYRRVYSZFD-UHFFFAOYSA-N 2 2 293.371 -0.426 20 0 CBADLP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001207567828 824431062 /nfs/dbraw/zinc/43/10/62/824431062.db2.gz BGTCPZGQXFBEMB-ZYHUDNBSSA-N 2 2 282.388 -0.608 20 0 CBADLP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001207567828 824431067 /nfs/dbraw/zinc/43/10/67/824431067.db2.gz BGTCPZGQXFBEMB-ZYHUDNBSSA-N 2 2 282.388 -0.608 20 0 CBADLP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001207567828 824431073 /nfs/dbraw/zinc/43/10/73/824431073.db2.gz BGTCPZGQXFBEMB-ZYHUDNBSSA-N 2 2 282.388 -0.608 20 0 CBADLP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001207567828 824431079 /nfs/dbraw/zinc/43/10/79/824431079.db2.gz BGTCPZGQXFBEMB-ZYHUDNBSSA-N 2 2 282.388 -0.608 20 0 CBADLP CNC(=O)C[NH2+][C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001207923703 824441209 /nfs/dbraw/zinc/44/12/09/824441209.db2.gz AGUCLFSGBIHJNH-LLVKDONJSA-N 2 2 293.371 -0.331 20 0 CBADLP C[C@@H]1C[N@H+](Cc2cnnn2C)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208493188 824454551 /nfs/dbraw/zinc/45/45/51/824454551.db2.gz VTDRGHDOCCCASX-DGCLKSJQSA-N 2 2 294.403 -0.297 20 0 CBADLP C[C@@H]1C[N@@H+](Cc2cnnn2C)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208493188 824454554 /nfs/dbraw/zinc/45/45/54/824454554.db2.gz VTDRGHDOCCCASX-DGCLKSJQSA-N 2 2 294.403 -0.297 20 0 CBADLP CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001209835746 824476050 /nfs/dbraw/zinc/47/60/50/824476050.db2.gz DTNGTCGARUVLAR-LLVKDONJSA-N 2 2 293.371 -0.331 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001209838378 824476156 /nfs/dbraw/zinc/47/61/56/824476156.db2.gz XNSDDIIYFVOBRL-GHMZBOCLSA-N 2 2 293.371 -0.333 20 0 CBADLP CNC(=O)C[NH2+][C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001209836756 824476168 /nfs/dbraw/zinc/47/61/68/824476168.db2.gz MXORIQQJHMJNNF-JTQLQIEISA-N 2 2 279.344 -0.721 20 0 CBADLP CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001213977517 824518037 /nfs/dbraw/zinc/51/80/37/824518037.db2.gz KCHSXLTWIREXRL-CHWSQXEVSA-N 2 2 296.371 -0.529 20 0 CBADLP CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001213977517 824518034 /nfs/dbraw/zinc/51/80/34/824518034.db2.gz KCHSXLTWIREXRL-CHWSQXEVSA-N 2 2 296.371 -0.529 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001216064670 824545237 /nfs/dbraw/zinc/54/52/37/824545237.db2.gz DVNJCZRXMQOKPS-OUAUKWLOSA-N 2 2 293.371 -0.477 20 0 CBADLP CNC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001216061554 824545562 /nfs/dbraw/zinc/54/55/62/824545562.db2.gz KLNZXPFBZKPORT-NXEZZACHSA-N 2 2 279.344 -0.865 20 0 CBADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001217001400 824550815 /nfs/dbraw/zinc/55/08/15/824550815.db2.gz UAHBTUJIZBBBAT-VXGBXAGGSA-N 2 2 293.371 -0.592 20 0 CBADLP C[N@@H+]1CCO[C@@H](COc2ccc(C[C@H]([NH3+])C(N)=O)cc2)C1 ZINC001218344199 824567642 /nfs/dbraw/zinc/56/76/42/824567642.db2.gz RXLZKXLUAWSWJF-KGLIPLIRSA-N 2 2 293.367 -0.249 20 0 CBADLP C[N@H+]1CCO[C@@H](COc2ccc(C[C@H]([NH3+])C(N)=O)cc2)C1 ZINC001218344199 824567648 /nfs/dbraw/zinc/56/76/48/824567648.db2.gz RXLZKXLUAWSWJF-KGLIPLIRSA-N 2 2 293.367 -0.249 20 0 CBADLP COc1nn(C)cc1NC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001218504930 824573028 /nfs/dbraw/zinc/57/30/28/824573028.db2.gz IWYOYZLUTHTAOL-UHFFFAOYSA-N 2 2 267.333 -0.291 20 0 CBADLP COC(=O)c1ccc(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])cn1 ZINC001218509270 824574483 /nfs/dbraw/zinc/57/44/83/824574483.db2.gz KFNRTZLVUUKEBW-IUCAKERBSA-N 2 2 264.285 -0.647 20 0 CBADLP CC(C)(C)c1nnc(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)o1 ZINC001218508802 824575261 /nfs/dbraw/zinc/57/52/61/824575261.db2.gz SRVKYJDRBGXAAU-RQJHMYQMSA-N 2 2 253.306 -0.005 20 0 CBADLP [NH3+]C1(C(=O)Nc2[nH]nc3cccnc32)CC[NH2+]CC1 ZINC001218523863 824582217 /nfs/dbraw/zinc/58/22/17/824582217.db2.gz UOKJTVSWCBDJEO-UHFFFAOYSA-N 2 2 260.301 -0.023 20 0 CBADLP Cc1cc2ncc(C)c(NC(=O)[C@@H]([NH3+])CC[NH3+])n2n1 ZINC001218526422 824582589 /nfs/dbraw/zinc/58/25/89/824582589.db2.gz WIOQDLNSZVCKSI-VIFPVBQESA-N 2 2 262.317 -0.039 20 0 CBADLP N=c1scc(N)n1C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001218540762 824586731 /nfs/dbraw/zinc/58/67/31/824586731.db2.gz MCODYMHDOHEFBH-DGAHNEANSA-N 2 2 253.331 -0.527 20 0 CBADLP Cc1sc(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])c(C(N)=O)c1C ZINC001218548620 824588058 /nfs/dbraw/zinc/58/80/58/824588058.db2.gz PNJHIKFNNHUMRG-YUMQZZPRSA-N 2 2 282.369 -0.051 20 0 CBADLP CCOC(=O)c1n[nH]cc1NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001218548658 824588392 /nfs/dbraw/zinc/58/83/92/824588392.db2.gz COOZZNCWMZLTGJ-RBDZCENOSA-N 2 2 293.327 -0.253 20 0 CBADLP CCOC(=O)c1n[nH]cc1NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001218550315 824588797 /nfs/dbraw/zinc/58/87/97/824588797.db2.gz UOHUPLURGCRMLJ-QMMMGPOBSA-N 2 2 292.299 -0.182 20 0 CBADLP COc1cc(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)no1 ZINC001218574047 824596413 /nfs/dbraw/zinc/59/64/13/824596413.db2.gz OLMCJRFMFVNGPB-AMXGMDGSSA-N 2 2 252.274 -0.157 20 0 CBADLP CC(=O)Nc1cc(NC(=O)C[NH2+]C2CC[NH2+]CC2)ncn1 ZINC001218611456 824603241 /nfs/dbraw/zinc/60/32/41/824603241.db2.gz XUHZEMTVRHOFQN-UHFFFAOYSA-N 2 2 292.343 -0.285 20 0 CBADLP CC(=O)Nc1cc(NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)ncn1 ZINC001218610448 824603377 /nfs/dbraw/zinc/60/33/77/824603377.db2.gz OTYGDZPIFSOCNS-SECBINFHSA-N 2 2 289.299 -0.333 20 0 CBADLP Cc1[nH]nc2ncc(NC(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])cc12 ZINC001218614622 824603644 /nfs/dbraw/zinc/60/36/44/824603644.db2.gz GHOMZEJFQTVWPA-UWVGGRQHSA-N 2 2 260.301 -0.248 20 0 CBADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1cnn2ccc(Cl)nc12 ZINC001218615963 824604386 /nfs/dbraw/zinc/60/43/86/824604386.db2.gz KNFQERXNTUOMCH-LURJTMIESA-N 2 2 268.708 -0.003 20 0 CBADLP CC(=O)OC[C@H]([NH3+])C(=O)Nc1cc[nH+]c2c1CCC2 ZINC001218622277 824605772 /nfs/dbraw/zinc/60/57/72/824605772.db2.gz YRKSUXURGVROAS-JTQLQIEISA-N 2 2 263.297 -0.179 20 0 CBADLP N=c1c(N)cnc(Cl)n1C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001218622964 824606507 /nfs/dbraw/zinc/60/65/07/824606507.db2.gz ZWJSXZZOSMTHLR-LURJTMIESA-N 2 2 281.707 -0.469 20 0 CBADLP CN(C(=O)C1([NH3+])CC[NH2+]CC1)c1nccnc1N ZINC001218623311 824606977 /nfs/dbraw/zinc/60/69/77/824606977.db2.gz HMLJHACDULCDKJ-UHFFFAOYSA-N 2 2 250.306 -0.898 20 0 CBADLP Nc1cn(C(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)nc1N ZINC001218627393 824608466 /nfs/dbraw/zinc/60/84/66/824608466.db2.gz TXNVUPRIUOUYIA-SECBINFHSA-N 2 2 260.301 -0.306 20 0 CBADLP COC(=O)c1cc(NC(=O)C2([NH3+])CC[NH2+]CC2)cn1C ZINC001218630444 824608886 /nfs/dbraw/zinc/60/88/86/824608886.db2.gz AGBCIXCDGKLJOD-UHFFFAOYSA-N 2 2 280.328 -0.169 20 0 CBADLP COC(=O)c1cc(NC(=O)[C@@H]([NH3+])CC[NH3+])cn1C ZINC001218632770 824610157 /nfs/dbraw/zinc/61/01/57/824610157.db2.gz ZHQOKMGWYVYNPD-QMMMGPOBSA-N 2 2 254.290 -0.574 20 0 CBADLP COc1nccc(N)c1NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001218634954 824610567 /nfs/dbraw/zinc/61/05/67/824610567.db2.gz XCVLWYGCIAYFMA-SVRRBLITSA-N 2 2 251.290 -0.700 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1cnn(C2C[NH2+]C2)c1 ZINC001218640927 824612740 /nfs/dbraw/zinc/61/27/40/824612740.db2.gz NSPIZKIOGQYHIR-LBPRGKRZSA-N 3 2 289.343 -0.731 20 0 CBADLP COC(=O)c1n[nH]c(C)c1NC(=O)[C@@H]([NH3+])CC[NH3+] ZINC001218640807 824612929 /nfs/dbraw/zinc/61/29/29/824612929.db2.gz SMYYLJDRHNRIKK-LURJTMIESA-N 2 2 255.278 -0.881 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cc(Cl)c[nH]c1=O ZINC001218642671 824614323 /nfs/dbraw/zinc/61/43/23/824614323.db2.gz KILOUFNIENZNLJ-BQBZGAKWSA-N 2 2 256.693 -0.074 20 0 CBADLP COc1ncnc(NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)c1OC ZINC001218653181 824617072 /nfs/dbraw/zinc/61/70/72/824617072.db2.gz PLLNDRRQRIFTHJ-MRVPVSSYSA-N 2 2 292.299 -0.275 20 0 CBADLP Nc1cc[nH]c(=O)c1NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001218678215 824621227 /nfs/dbraw/zinc/62/12/27/824621227.db2.gz GZGNCPVGNBFLQH-MRVPVSSYSA-N 2 2 262.273 -0.399 20 0 CBADLP Cc1cc(NC(=O)C2([NH3+])CC[NH2+]CC2)cc(=O)o1 ZINC001218681976 824622351 /nfs/dbraw/zinc/62/23/51/824622351.db2.gz JVPOERJAJGWZOC-UHFFFAOYSA-N 2 2 251.286 -0.032 20 0 CBADLP NC(=O)c1cnoc1NC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001218702804 824625046 /nfs/dbraw/zinc/62/50/46/824625046.db2.gz WVWMIBBLCQKCKW-JTQLQIEISA-N 2 2 289.295 -0.016 20 0 CBADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)Nc2cc([C@@H]3CCC[NH2+]3)no2)C1 ZINC001218713935 824627329 /nfs/dbraw/zinc/62/73/29/824627329.db2.gz VADRNDBXVUNUTI-NRPADANISA-N 3 2 265.317 -0.273 20 0 CBADLP COC[C@H](C)Oc1cc(NC(=O)C2([NH3+])CC[NH2+]CC2)[nH]n1 ZINC001218718206 824627537 /nfs/dbraw/zinc/62/75/37/824627537.db2.gz CUTLQDBIMXNGNZ-VIFPVBQESA-N 2 2 297.359 -0.157 20 0 CBADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)Nc1cc([C@H]2CCC[NH2+]2)no1 ZINC001218710445 824627791 /nfs/dbraw/zinc/62/77/91/824627791.db2.gz JDIDRTQRBJFQOU-NKWVEPMBSA-N 2 2 292.303 -0.879 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ncccc1N1CCOCC1 ZINC001218712977 824628200 /nfs/dbraw/zinc/62/82/00/824628200.db2.gz PJJKOCKFQGLYRG-QWRGUYRKSA-N 2 2 291.355 -0.597 20 0 CBADLP Cc1cc(=O)c(N)c(C)n1C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001218719091 824628896 /nfs/dbraw/zinc/62/88/96/824628896.db2.gz WNOYPZBGNOFATJ-BDAKNGLRSA-N 2 2 250.302 -0.623 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1 ZINC001218731576 824629321 /nfs/dbraw/zinc/62/93/21/824629321.db2.gz QGSSYDJDINJDOR-WOPDTQHZSA-N 3 2 291.355 -0.693 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cc2n(n1)CC(F)(F)CO2 ZINC001218752447 824634930 /nfs/dbraw/zinc/63/49/30/824634930.db2.gz XEEVFOIGHMJYIO-BQBZGAKWSA-N 2 2 287.270 -0.604 20 0 CBADLP COc1cc(OC)c(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)cn1 ZINC001218759900 824634980 /nfs/dbraw/zinc/63/49/80/824634980.db2.gz PXAOYUZWWBKNMJ-SFYZADRCSA-N 2 2 266.301 -0.274 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2ncccc2CCO)C1 ZINC001218792390 824638803 /nfs/dbraw/zinc/63/88/03/824638803.db2.gz JHBONSBIDRURFY-ZJUUUORDSA-N 2 2 250.302 -0.756 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cnn2c1OCCC2 ZINC001218794828 824640315 /nfs/dbraw/zinc/64/03/15/824640315.db2.gz VCQSDOXJGMMOHQ-YUMQZZPRSA-N 2 2 251.290 -0.849 20 0 CBADLP COCCOc1cc(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])ccn1 ZINC001218807426 824642085 /nfs/dbraw/zinc/64/20/85/824642085.db2.gz WHISIVLAOSAKBV-QWRGUYRKSA-N 2 2 280.328 -0.408 20 0 CBADLP Nc1ccc(OCCO)c(NC(=O)[C@@H]([NH3+])CC[NH3+])c1 ZINC001218917908 824647370 /nfs/dbraw/zinc/64/73/70/824647370.db2.gz CAVSBPJBXIALPR-VIFPVBQESA-N 2 2 268.317 -0.746 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2ccc3c(c2)CCNC3=O)C1 ZINC001218934526 824648249 /nfs/dbraw/zinc/64/82/49/824648249.db2.gz FUIOADPSOQCLEU-SKDRFNHKSA-N 2 2 274.324 -0.400 20 0 CBADLP NC(=O)Cc1cccc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)c1 ZINC001218954658 824649514 /nfs/dbraw/zinc/64/95/14/824649514.db2.gz OKCDTRONEVBWDM-LBPRGKRZSA-N 2 2 287.323 -0.054 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cccc(-n2nccn2)c1 ZINC001218985014 824650840 /nfs/dbraw/zinc/65/08/40/824650840.db2.gz UXHVNRSEWKBHMM-RYUDHWBXSA-N 2 2 272.312 -0.248 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2ccccc2-n2cncn2)C1 ZINC001219007823 824652526 /nfs/dbraw/zinc/65/25/26/824652526.db2.gz YVTRDCBNWYQBNZ-KOLCDFICSA-N 2 2 272.312 -0.105 20 0 CBADLP N=c1c2cc(N)ccc2on1C(=O)[C@@H]1C[C@H]([NH3+])C[NH2+]1 ZINC001219138657 824666501 /nfs/dbraw/zinc/66/65/01/824666501.db2.gz RTQFQKICAXOKSF-CBAPKCEASA-N 2 2 261.285 -0.375 20 0 CBADLP COC(=O)c1ccc(N)c(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)c1 ZINC001219147430 824668857 /nfs/dbraw/zinc/66/88/57/824668857.db2.gz PLAMGUUPIHKEDH-KCJUWKMLSA-N 2 2 278.312 -0.317 20 0 CBADLP COC(=O)c1ccc(N)c(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])c1 ZINC001219149522 824669277 /nfs/dbraw/zinc/66/92/77/824669277.db2.gz IGDMEVVFFOKWRH-WPRPVWTQSA-N 2 2 278.312 -0.459 20 0 CBADLP CN1c2ccc(NC(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)cc2CNC1=O ZINC001219334486 824692215 /nfs/dbraw/zinc/69/22/15/824692215.db2.gz IIKVFCBQZMWHLP-KOLCDFICSA-N 2 2 289.339 -0.026 20 0 CBADLP CN1c2ccc(NC(=O)[C@@H]([NH3+])CC[NH3+])cc2CNC1=O ZINC001219334369 824692876 /nfs/dbraw/zinc/69/28/76/824692876.db2.gz DKKXVFLMYNKXKH-JTQLQIEISA-N 2 2 277.328 -0.039 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2cccc3c2[C@@H]2C[NH2+]C[C@H]2O3)C1 ZINC001219537883 824723795 /nfs/dbraw/zinc/72/37/95/824723795.db2.gz RBJMCKZSSKHMRQ-MBJVOQIVSA-N 3 2 288.351 -0.238 20 0 CBADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)Nc2cccc3c2[C@@H]2C[NH2+]C[C@H]2O3)C1 ZINC001219542355 824724658 /nfs/dbraw/zinc/72/46/58/824724658.db2.gz RBJMCKZSSKHMRQ-IZWKTGJZSA-N 3 2 288.351 -0.238 20 0 CBADLP COCCC[N@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001219550916 824727218 /nfs/dbraw/zinc/72/72/18/824727218.db2.gz LMQNYYBATADAKQ-NEPJUHHUSA-N 2 2 296.371 -0.460 20 0 CBADLP COCCC[N@@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001219550916 824727220 /nfs/dbraw/zinc/72/72/20/824727220.db2.gz LMQNYYBATADAKQ-NEPJUHHUSA-N 2 2 296.371 -0.460 20 0 CBADLP Cn1ccnc1CNC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001219563552 824730912 /nfs/dbraw/zinc/73/09/12/824730912.db2.gz AAKRJHDKCSUQON-JTQLQIEISA-N 2 2 262.317 -0.660 20 0 CBADLP COc1ccc(C(=O)CNC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)cc1 ZINC001219560325 824731069 /nfs/dbraw/zinc/73/10/69/824731069.db2.gz RXVUOWGHQUGSOZ-PWSUYJOCSA-N 2 2 277.324 -0.317 20 0 CBADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCN1CCCCC1=O ZINC001219567198 824732291 /nfs/dbraw/zinc/73/22/91/824732291.db2.gz AGUALDLZIILUCR-NSHDSACASA-N 2 2 279.344 -0.592 20 0 CBADLP C[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)C[NH2+]1 ZINC001219585025 824735986 /nfs/dbraw/zinc/73/59/86/824735986.db2.gz QQJANABRTVYWKJ-UHFZAUJKSA-N 3 2 252.362 -0.807 20 0 CBADLP [NH3+]C1(C(=O)N[C@]2(C(F)(F)F)CC[NH2+]C2)CC[NH2+]CC1 ZINC001219609886 824854287 /nfs/dbraw/zinc/85/42/87/824854287.db2.gz HFKRQKLSINCIDO-SNVBAGLBSA-N 3 2 280.294 -0.522 20 0 CBADLP O=C(N[C@]1(C(F)(F)F)CC[NH2+]C1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001219610609 824854496 /nfs/dbraw/zinc/85/44/96/824854496.db2.gz PNBIBOXFNMYZGU-IEBDPFPHSA-N 3 2 292.305 -0.652 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N[C@@]2(C(F)(F)F)CC[NH2+]C2)C1 ZINC001219611197 824855108 /nfs/dbraw/zinc/85/51/08/824855108.db2.gz WZXDHNKKBUNVSU-FJXKBIBVSA-N 3 2 266.267 -0.914 20 0 CBADLP O=C(N[C@]1(C(F)(F)F)CC[NH2+]C1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001219610606 824855304 /nfs/dbraw/zinc/85/53/04/824855304.db2.gz PNBIBOXFNMYZGU-FBIMIBRVSA-N 3 2 292.305 -0.652 20 0 CBADLP Nc1cc(CC(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)cc[nH+]1 ZINC001219621998 824861399 /nfs/dbraw/zinc/86/13/99/824861399.db2.gz MBSKJKOBTIRXGW-GXFFZTMASA-N 2 2 282.319 -0.615 20 0 CBADLP O=C(NCCN1CCCCO1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001219632360 824865927 /nfs/dbraw/zinc/86/59/27/824865927.db2.gz LJFOTLJEQXVTGJ-AAEUAGOBSA-N 2 2 268.361 -0.919 20 0 CBADLP [NH3+]C1(C(=O)NCCN2CCCCO2)CC[NH2+]CC1 ZINC001219632238 824866408 /nfs/dbraw/zinc/86/64/08/824866408.db2.gz JBBDODVYSVKHLI-UHFFFAOYSA-N 2 2 256.350 -0.789 20 0 CBADLP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)NCCc1cn(C)c[nH+]1 ZINC001219634030 824868437 /nfs/dbraw/zinc/86/84/37/824868437.db2.gz JPOQCYLAIHUZIE-GWCFXTLKSA-N 2 2 295.387 -0.432 20 0 CBADLP C[C@H]1OCC[C@H]1CNC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001219633918 824868588 /nfs/dbraw/zinc/86/85/88/824868588.db2.gz IZWNCITZZKJBJX-SCVCMEIPSA-N 2 2 266.345 -0.169 20 0 CBADLP COC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H]1C[NH2+]C[C@@H](C)C1 ZINC001219641852 824869653 /nfs/dbraw/zinc/86/96/53/824869653.db2.gz MBXJPTLFMFKZJL-GUBZILKMSA-N 2 2 257.334 -0.761 20 0 CBADLP C[C@@H]1C[C@@H](CNC(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)C[NH2+]1 ZINC001219685249 824877637 /nfs/dbraw/zinc/87/76/37/824877637.db2.gz XWLDWYWGWJINRO-UZWSLXQKSA-N 3 2 252.362 -0.948 20 0 CBADLP Cc1cc(C)c(CNC(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)c(=O)[nH]1 ZINC001219689409 824879663 /nfs/dbraw/zinc/87/96/63/824879663.db2.gz RREAYNVNULHJSU-XHDPSFHLSA-N 2 2 290.367 -0.028 20 0 CBADLP Cc1cc(C)c(CNC(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)c(=O)[nH]1 ZINC001219689406 824879682 /nfs/dbraw/zinc/87/96/82/824879682.db2.gz RREAYNVNULHJSU-ABAIWWIYSA-N 2 2 290.367 -0.028 20 0 CBADLP C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@@H](OC(C)(C)C)C[NH2+]2)C1 ZINC001219695123 824881269 /nfs/dbraw/zinc/88/12/69/824881269.db2.gz PYKLMPODMKSHHC-UPJWGTAASA-N 2 2 299.415 -0.021 20 0 CBADLP C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@@H](OC(C)(C)C)C[NH2+]2)C1 ZINC001219695123 824881273 /nfs/dbraw/zinc/88/12/73/824881273.db2.gz PYKLMPODMKSHHC-UPJWGTAASA-N 2 2 299.415 -0.021 20 0 CBADLP C[N@@H+]1CCO[C@H](CNC(=O)C2CC3(C[NH2+]C3)C2)C1 ZINC001219695001 824881846 /nfs/dbraw/zinc/88/18/46/824881846.db2.gz PGZPTUCDATUIFF-LLVKDONJSA-N 2 2 253.346 -0.567 20 0 CBADLP C[N@H+]1CCO[C@H](CNC(=O)C2CC3(C[NH2+]C3)C2)C1 ZINC001219695001 824881852 /nfs/dbraw/zinc/88/18/52/824881852.db2.gz PGZPTUCDATUIFF-LLVKDONJSA-N 2 2 253.346 -0.567 20 0 CBADLP CN(C(=O)CCNC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)C1CC1 ZINC001219693038 824882101 /nfs/dbraw/zinc/88/21/01/824882101.db2.gz MKHXNKQAFYSICN-NSHDSACASA-N 2 2 279.344 -0.593 20 0 CBADLP CN(C(=O)CCNC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1)C1CC1 ZINC001219693036 824882372 /nfs/dbraw/zinc/88/23/72/824882372.db2.gz MKHXNKQAFYSICN-LLVKDONJSA-N 2 2 279.344 -0.593 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NC[C@H]2CCC3(CC[NH2+]CC3)O2)C1 ZINC001219743963 824889367 /nfs/dbraw/zinc/88/93/67/824889367.db2.gz PZDAPTDMRPUBGE-UTUOFQBUSA-N 3 2 282.388 -0.907 20 0 CBADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NC1CC2(C1)CC[NH2+]CC2 ZINC001219771773 824891079 /nfs/dbraw/zinc/89/10/79/824891079.db2.gz ROIPDVNPSUIEPP-LBPRGKRZSA-N 3 2 277.372 -0.072 20 0 CBADLP O=C(NC1CC2(C1)CC[NH2+]CC2)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001219773481 824893436 /nfs/dbraw/zinc/89/34/36/824893436.db2.gz UKUVCAOHKSJVAG-NHYWBVRUSA-N 3 2 278.400 -0.414 20 0 CBADLP [NH3+]C1(C(=O)NC2CC3(C2)CC[NH2+]CC3)CC[NH2+]CC1 ZINC001219776087 824893966 /nfs/dbraw/zinc/89/39/66/824893966.db2.gz VFLKCZRNZQHDII-UHFFFAOYSA-N 3 2 266.389 -0.284 20 0 CBADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N[C@H]1C[NH2+]Cc2ccsc21 ZINC001219823377 824899087 /nfs/dbraw/zinc/89/90/87/824899087.db2.gz PXOGJKDIDJMOTD-YUMQZZPRSA-N 2 2 293.356 -0.908 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N[C@@H]2C[NH2+]Cc3ccsc32)C1 ZINC001219827093 824900245 /nfs/dbraw/zinc/90/02/45/824900245.db2.gz ZFMSONJYLCCFJO-KXUCPTDWSA-N 3 2 266.370 -0.302 20 0 CBADLP [NH3+][C@H]1CN[C@H](C(=O)N[C@@H]2C[NH2+]Cc3ccsc32)C1 ZINC001219827093 824900251 /nfs/dbraw/zinc/90/02/51/824900251.db2.gz ZFMSONJYLCCFJO-KXUCPTDWSA-N 2 2 266.370 -0.302 20 0 CBADLP CC[C@H](C)[C@@H](CO)NC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001219883583 824909339 /nfs/dbraw/zinc/90/93/39/824909339.db2.gz VJIOZPXLFWBFAK-MEWQQHAOSA-N 2 2 255.362 -0.539 20 0 CBADLP CC[C@H](C)[C@@H](CO)NC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001219883587 824909686 /nfs/dbraw/zinc/90/96/86/824909686.db2.gz VJIOZPXLFWBFAK-SBFPOUOMSA-N 2 2 255.362 -0.539 20 0 CBADLP Cc1c[nH]c(CCNC(=O)[C@@H]([NH3+])CSCC[NH3+])[nH+]1 ZINC001219951952 824920383 /nfs/dbraw/zinc/92/03/83/824920383.db2.gz IVTLJMYHCNJJMP-VIFPVBQESA-N 3 2 271.390 -0.604 20 0 CBADLP Cc1nonc1CNC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001219948062 824920697 /nfs/dbraw/zinc/92/06/97/824920697.db2.gz JPVHDICYCYIIOL-VIFPVBQESA-N 2 2 264.289 -0.702 20 0 CBADLP CCC[NH+]1CCC(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])CC1 ZINC001219954915 824922841 /nfs/dbraw/zinc/92/28/41/824922841.db2.gz YDQWXOJFSSBWNC-RYUDHWBXSA-N 3 2 254.378 -0.476 20 0 CBADLP O=C(NCc1ccc2nonc2c1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001219965090 824923547 /nfs/dbraw/zinc/92/35/47/824923547.db2.gz BHYLLYYAPFYETI-HZMBPMFUSA-N 2 2 287.323 -0.210 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H]([NH3+])c2ccsc2)C[NH2+]1 ZINC001219965400 824923870 /nfs/dbraw/zinc/92/38/70/824923870.db2.gz MAKPFYXWXSSZFR-UTLUCORTSA-N 2 2 283.353 -0.232 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@H]([NH3+])c2ccccc2)C[NH2+]1 ZINC001219965264 824924015 /nfs/dbraw/zinc/92/40/15/824924015.db2.gz GJYYBCDJNMRKQH-GRYCIOLGSA-N 2 2 277.324 -0.294 20 0 CBADLP COC(=O)[C@@H]([NH3+])CC(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC001219980924 824929355 /nfs/dbraw/zinc/92/93/55/824929355.db2.gz RFAIGTRUJHBCNJ-MNOVXSKESA-N 2 2 271.361 -0.275 20 0 CBADLP COC(=O)[C@@H]([NH3+])CC(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC001219980924 824929360 /nfs/dbraw/zinc/92/93/60/824929360.db2.gz RFAIGTRUJHBCNJ-MNOVXSKESA-N 2 2 271.361 -0.275 20 0 CBADLP O=C(NC[C@@H]1CCCCO1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001219979032 824929706 /nfs/dbraw/zinc/92/97/06/824929706.db2.gz YMVJKULRPRDMEY-GVXVVHGQSA-N 2 2 253.346 -0.377 20 0 CBADLP O=C(NC[C@@H]1CCCCO1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001219979031 824929736 /nfs/dbraw/zinc/92/97/36/824929736.db2.gz YMVJKULRPRDMEY-GMXVVIOVSA-N 2 2 253.346 -0.377 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NC[C@H]1CCOC1 ZINC001220020515 824936076 /nfs/dbraw/zinc/93/60/76/824936076.db2.gz LKYDIQWHGCUTOA-KOLCDFICSA-N 2 2 252.318 -0.557 20 0 CBADLP CC(C)[C@](C)(NC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C)C(N)=O ZINC001220022633 824936935 /nfs/dbraw/zinc/93/69/35/824936935.db2.gz JUNVPSSQJMNQAM-GWCFXTLKSA-N 2 2 281.360 -0.694 20 0 CBADLP CC(C)[C@@](C)(NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2)C(N)=O ZINC001220023052 824937903 /nfs/dbraw/zinc/93/79/03/824937903.db2.gz OOYLGKUMHBEROC-RQSQLSILSA-N 2 2 268.361 -0.776 20 0 CBADLP O=C(NCc1ccncc1F)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220036803 824940985 /nfs/dbraw/zinc/94/09/85/824940985.db2.gz WKEBXZCFAVYRLJ-GXFFZTMASA-N 2 2 264.304 -0.212 20 0 CBADLP N=c1cc(C[NH3+])ccn1C(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220044875 824942227 /nfs/dbraw/zinc/94/22/27/824942227.db2.gz CMDZOBQISKFRBX-SNVBAGLBSA-N 3 2 260.301 -0.640 20 0 CBADLP Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220043356 824942613 /nfs/dbraw/zinc/94/26/13/824942613.db2.gz OPCIFBPHQAESQB-JTQLQIEISA-N 3 2 275.316 -0.937 20 0 CBADLP COC(=O)C1(NC(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)CCCC1 ZINC001220047711 824943286 /nfs/dbraw/zinc/94/32/86/824943286.db2.gz CZWSTLFXDVYNMD-HZMBPMFUSA-N 2 2 281.356 -0.460 20 0 CBADLP COC(=O)C1(NC(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)CCCC1 ZINC001220048580 824943691 /nfs/dbraw/zinc/94/36/91/824943691.db2.gz PXRRQOFZPVDBEP-NSHDSACASA-N 2 2 294.355 -0.108 20 0 CBADLP COC(=O)C1(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])CCCC1 ZINC001220048228 824943903 /nfs/dbraw/zinc/94/39/03/824943903.db2.gz JLEZFVFEQFOGTI-IUCAKERBSA-N 2 2 255.318 -0.865 20 0 CBADLP [NH3+]C1(C(=O)NC[C@H](O)c2ccc(O)cc2)CC[NH2+]CC1 ZINC001220113340 824958507 /nfs/dbraw/zinc/95/85/07/824958507.db2.gz QOPKMEUDAWQRQB-LBPRGKRZSA-N 2 2 279.340 -0.377 20 0 CBADLP O=C(NC[C@H](O)c1ccc(O)cc1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220112770 824958957 /nfs/dbraw/zinc/95/89/57/824958957.db2.gz AEMRKMKIBPZBLH-ZLDLUXBVSA-N 2 2 291.351 -0.507 20 0 CBADLP [NH3+]C1(C(=O)NCc2cccc(F)n2)CC[NH2+]CC1 ZINC001220124808 824960119 /nfs/dbraw/zinc/96/01/19/824960119.db2.gz LOQJYVWQGNDWIW-UHFFFAOYSA-N 2 2 252.293 -0.082 20 0 CBADLP O=C(NCC1(F)CCOCC1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220136887 824964291 /nfs/dbraw/zinc/96/42/91/824964291.db2.gz KEVMQJHVBMEGNV-ZWNOBZJWSA-N 2 2 271.336 -0.427 20 0 CBADLP O=C(NCCOC(F)(F)F)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220138679 824964843 /nfs/dbraw/zinc/96/48/43/824964843.db2.gz CMVGXZVIXKZTTN-APPZFPTMSA-N 2 2 267.251 -0.410 20 0 CBADLP O=C(NCCOC(F)(F)F)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220138682 824965367 /nfs/dbraw/zinc/96/53/67/824965367.db2.gz CMVGXZVIXKZTTN-VXNVDRBHSA-N 2 2 267.251 -0.410 20 0 CBADLP N=C(NC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2)c1nccs1 ZINC001220154090 824970562 /nfs/dbraw/zinc/97/05/62/824970562.db2.gz KPCUGINFMRTRJV-CPCISQLKSA-N 2 2 265.342 -0.464 20 0 CBADLP N=C(NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)c1nccs1 ZINC001220154691 824971398 /nfs/dbraw/zinc/97/13/98/824971398.db2.gz WOBAHIOZKXVVST-ZETCQYMHSA-N 2 2 264.314 -0.122 20 0 CBADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)NC2CC(CO)(CO)C2)cc1 ZINC001220152178 824971363 /nfs/dbraw/zinc/97/13/63/824971363.db2.gz XHNFHDCVXKSLFG-ZDUSSCGKSA-N 2 2 293.367 -0.492 20 0 CBADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)NC2(C[NH3+])COC2)cc1 ZINC001220156643 824973218 /nfs/dbraw/zinc/97/32/18/824973218.db2.gz FBMLTSKTANAOMV-LLVKDONJSA-N 3 2 264.329 -0.897 20 0 CBADLP C[N@@H+]1CCC[C@H](NC(=O)C[NH2+]C2CC[NH2+]CC2)C1 ZINC001220156578 824973558 /nfs/dbraw/zinc/97/35/58/824973558.db2.gz AZQAFSBQKNIECA-LBPRGKRZSA-N 3 2 254.378 -0.462 20 0 CBADLP C[N@H+]1CCC[C@H](NC(=O)C[NH2+]C2CC[NH2+]CC2)C1 ZINC001220156578 824973566 /nfs/dbraw/zinc/97/35/66/824973566.db2.gz AZQAFSBQKNIECA-LBPRGKRZSA-N 3 2 254.378 -0.462 20 0 CBADLP CC(C)[NH+]1CC(NC(=O)[C@@]23C[NH2+]C[C@H]2CCN3)C1 ZINC001220159920 824974871 /nfs/dbraw/zinc/97/48/71/824974871.db2.gz SHNYNXQYDUPJCG-ZWNOBZJWSA-N 2 2 252.362 -0.853 20 0 CBADLP N=C(NC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2)c1ccc(F)cn1 ZINC001220170414 824976032 /nfs/dbraw/zinc/97/60/32/824976032.db2.gz KAQDFDGOQCPYGT-AMIZOPFISA-N 2 2 277.303 -0.386 20 0 CBADLP N=C(NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])c1ccc(F)cn1 ZINC001220170157 824976125 /nfs/dbraw/zinc/97/61/25/824976125.db2.gz CABYZZIZCLAWKI-YUMQZZPRSA-N 2 2 251.265 -0.791 20 0 CBADLP N=C(NC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2)c1ccc(F)cn1 ZINC001220170415 824976537 /nfs/dbraw/zinc/97/65/37/824976537.db2.gz KAQDFDGOQCPYGT-ISVAXAHUSA-N 2 2 277.303 -0.386 20 0 CBADLP Cc1ncc(CNC(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)cn1 ZINC001220176630 824977960 /nfs/dbraw/zinc/97/79/60/824977960.db2.gz IYTVJMJTHBKAMI-AAEUAGOBSA-N 2 2 261.329 -0.647 20 0 CBADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)NC2(CCO)COC2)cc1 ZINC001220173786 824978113 /nfs/dbraw/zinc/97/81/13/824978113.db2.gz TXOVKQPHDGOFMC-LBPRGKRZSA-N 2 2 279.340 -0.474 20 0 CBADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)NC2(CCO)COC2)cc1 ZINC001220173785 824978177 /nfs/dbraw/zinc/97/81/77/824978177.db2.gz TXOVKQPHDGOFMC-GFCCVEGCSA-N 2 2 279.340 -0.474 20 0 CBADLP Cc1ncc(CNC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)cn1 ZINC001220178074 824979227 /nfs/dbraw/zinc/97/92/27/824979227.db2.gz YWSYVQSZJQTHEZ-NSHDSACASA-N 2 2 260.301 -0.306 20 0 CBADLP COc1ccnc(C(=N)NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)n1 ZINC001220183427 824980410 /nfs/dbraw/zinc/98/04/10/824980410.db2.gz OSFPJFODWTXGFI-RBDZCENOSA-N 2 2 290.327 -0.851 20 0 CBADLP C[C@@H](NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1)c1cncnc1 ZINC001220181641 824980506 /nfs/dbraw/zinc/98/05/06/824980506.db2.gz XGRRTPZJKAIOJA-LDYMZIIASA-N 2 2 260.301 -0.053 20 0 CBADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001220185930 824982960 /nfs/dbraw/zinc/98/29/60/824982960.db2.gz KUKHGRIDJDWFDT-XWLWVQCSSA-N 2 2 288.342 -0.703 20 0 CBADLP [NH3+]CCSC[C@H]([NH3+])C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC001220188294 824983407 /nfs/dbraw/zinc/98/34/07/824983407.db2.gz AGNKJCDENDZFBC-BDAKNGLRSA-N 3 2 296.387 -0.633 20 0 CBADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220185378 824983459 /nfs/dbraw/zinc/98/34/59/824983459.db2.gz GVBYALGYFOAUKR-UWVGGRQHSA-N 3 2 288.342 -0.844 20 0 CBADLP N[C@]1(C(=O)NCC2([NH+]3CCCC3)COC2)CCC[NH2+]C1 ZINC001220198020 824984321 /nfs/dbraw/zinc/98/43/21/824984321.db2.gz ZYWFZTFYXHJIJK-CQSZACIVSA-N 2 2 282.388 -0.952 20 0 CBADLP C[C@@]1(C(=O)NCC2([NH+]3CCCC3)COC2)CC[NH2+]C1 ZINC001220197908 824984677 /nfs/dbraw/zinc/98/46/77/824984677.db2.gz VQNWOOZLBQSIST-CYBMUJFWSA-N 2 2 267.373 -0.033 20 0 CBADLP CC1(C)C[C@@H](CNC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)O1 ZINC001220200187 824984855 /nfs/dbraw/zinc/98/48/55/824984855.db2.gz COTPUJNFFUMVJW-XWLWVQCSSA-N 2 2 253.346 -0.380 20 0 CBADLP Cc1ccc(C2(NC(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])COC2)cc1 ZINC001220202964 824986004 /nfs/dbraw/zinc/98/60/04/824986004.db2.gz RCCGYQUFTMNVBO-STQMWFEESA-N 2 2 275.352 -0.117 20 0 CBADLP [NH3+]C1(C(=O)NC2(c3cccnn3)CC2)CC[NH2+]CC1 ZINC001220209935 824987247 /nfs/dbraw/zinc/98/72/47/824987247.db2.gz KBFKVFZHCBEWJW-UHFFFAOYSA-N 2 2 261.329 -0.337 20 0 CBADLP CCOC(CCNC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2)OCC ZINC001220230212 824991131 /nfs/dbraw/zinc/99/11/31/824991131.db2.gz DUTCJVRJCCJTFC-SMDDNHRTSA-N 2 2 285.388 -0.157 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NCC[C@@H]1CCC[N@@H+]1C ZINC001220251671 824994898 /nfs/dbraw/zinc/99/48/98/824994898.db2.gz BDCNEFHPLCOLBV-AAEUAGOBSA-N 3 2 279.388 -0.110 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NCC[C@@H]1CCC[N@H+]1C ZINC001220251671 824994900 /nfs/dbraw/zinc/99/49/00/824994900.db2.gz BDCNEFHPLCOLBV-AAEUAGOBSA-N 3 2 279.388 -0.110 20 0 CBADLP C[N@@H+]1CCC[C@H]1CCNC(=O)[C@@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001220254743 824996227 /nfs/dbraw/zinc/99/62/27/824996227.db2.gz VZWZSWMMJBIHAY-KBPBESRZSA-N 3 2 297.447 -0.663 20 0 CBADLP C[N@H+]1CCC[C@H]1CCNC(=O)[C@@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001220254743 824996230 /nfs/dbraw/zinc/99/62/30/824996230.db2.gz VZWZSWMMJBIHAY-KBPBESRZSA-N 3 2 297.447 -0.663 20 0 CBADLP [NH3+]C1(C(=O)NCCC(=O)Nc2nccs2)CC[NH2+]CC1 ZINC001220271044 825000697 /nfs/dbraw/zinc/00/06/97/825000697.db2.gz REORYLZULASDDT-UHFFFAOYSA-N 2 2 297.384 -0.331 20 0 CBADLP Cn1cc(CCNC(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)cn1 ZINC001220276790 825002951 /nfs/dbraw/zinc/00/29/51/825002951.db2.gz QWCCSVZVUFHYSS-DGCLKSJQSA-N 2 2 263.345 -0.970 20 0 CBADLP Cn1cc(CCNC(=O)C2([NH3+])CC[NH2+]CC2)cn1 ZINC001220276786 825003921 /nfs/dbraw/zinc/00/39/21/825003921.db2.gz QRFLTRNXCIXVTF-UHFFFAOYSA-N 2 2 251.334 -0.840 20 0 CBADLP COCCn1c[nH+]cc1CNC(=O)[C@H]([NH3+])CCC[NH3+] ZINC001220274663 825004364 /nfs/dbraw/zinc/00/43/64/825004364.db2.gz NAJFZXHUQQWZGV-LLVKDONJSA-N 3 2 269.349 -0.788 20 0 CBADLP O=C(NCCc1cn2ccccc2n1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220278627 825005465 /nfs/dbraw/zinc/00/54/65/825005465.db2.gz YTZHFWHSDGAOIM-WBMJQRKESA-N 2 2 299.378 -0.056 20 0 CBADLP C[C@@H]1CC[NH2+][C@H](C(=O)N[C@@H](CO)Cc2c[nH]c[nH+]2)C1 ZINC001220292057 825008270 /nfs/dbraw/zinc/00/82/70/825008270.db2.gz ZKLWJKZBJSDADP-JLLWLGSASA-N 2 2 266.345 -0.183 20 0 CBADLP C[C@@H]1CC[NH2+][C@H](C(=O)N[C@@H](CO)Cc2c[nH+]c[nH]2)C1 ZINC001220292057 825008279 /nfs/dbraw/zinc/00/82/79/825008279.db2.gz ZKLWJKZBJSDADP-JLLWLGSASA-N 2 2 266.345 -0.183 20 0 CBADLP C[C@H](NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1)c1cnn(C)c1 ZINC001220309382 825011785 /nfs/dbraw/zinc/01/17/85/825011785.db2.gz XNZXNWHAPGXYOL-GZMMTYOYSA-N 2 2 262.317 -0.110 20 0 CBADLP O=C(N[C@@H]1CC12CCOCC2)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220329296 825017327 /nfs/dbraw/zinc/01/73/27/825017327.db2.gz LPLUQKYCXJKQRO-JTNHKYCSSA-N 2 2 265.357 -0.377 20 0 CBADLP COc1ccc(CNC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)nn1 ZINC001220343705 825020421 /nfs/dbraw/zinc/02/04/21/825020421.db2.gz YZWUFHXUFCPUEW-BREBYQMCSA-N 2 2 277.328 -0.677 20 0 CBADLP CCOC(=O)C1(CNC(=O)C2([NH3+])CC[NH2+]CC2)CCC1 ZINC001220370927 825021615 /nfs/dbraw/zinc/02/16/15/825021615.db2.gz IZHQSUHZKJQXKY-UHFFFAOYSA-N 2 2 283.372 -0.083 20 0 CBADLP [NH3+]Cc1ccc2c(n1)N(C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])CCC2 ZINC001220376839 825023019 /nfs/dbraw/zinc/02/30/19/825023019.db2.gz AQHFFSVRBUJMRF-RYUDHWBXSA-N 3 2 275.356 -0.634 20 0 CBADLP O=C(NCc1ncccc1O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220389689 825026330 /nfs/dbraw/zinc/02/63/30/825026330.db2.gz BULVMQIYBYKZHG-TVQRCGJNSA-N 2 2 262.313 -0.645 20 0 CBADLP COc1ccc(CCNC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)nc1 ZINC001220396861 825029768 /nfs/dbraw/zinc/02/97/68/825029768.db2.gz OSOMFJKQHCRRCT-NFAWXSAZSA-N 2 2 290.367 -0.029 20 0 CBADLP C=CC(=O)NCCNC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001220396596 825030636 /nfs/dbraw/zinc/03/06/36/825030636.db2.gz DRLVTONERDYXIL-LBPRGKRZSA-N 2 2 276.340 -0.323 20 0 CBADLP COc1ccc(CCNC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)nc1 ZINC001220396691 825030713 /nfs/dbraw/zinc/03/07/13/825030713.db2.gz IINFHVOBEOWNLZ-LEWSCRJBSA-N 2 2 290.367 -0.301 20 0 CBADLP COC(=O)[C@@H]1CC[C@@H](NC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)C1 ZINC001220407003 825033956 /nfs/dbraw/zinc/03/39/56/825033956.db2.gz ZYJMHTLEZMTHCO-CSYMLDBXSA-N 2 2 281.356 -0.606 20 0 CBADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CO)C(F)(F)F ZINC001220447153 825041677 /nfs/dbraw/zinc/04/16/77/825041677.db2.gz CUCZVQPDVKEFLC-RQJHMYQMSA-N 2 2 266.223 -0.681 20 0 CBADLP CC(C)NC(=O)[C@@H](NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)C(C)C ZINC001220462455 825042880 /nfs/dbraw/zinc/04/28/80/825042880.db2.gz CYPNMBAMVYGYJO-VWYCJHECSA-N 2 2 270.377 -0.659 20 0 CBADLP O=C(NC[C@H](O)C1CCCCC1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220467067 825044568 /nfs/dbraw/zinc/04/45/68/825044568.db2.gz LVVKBZIMAOLWLB-IPYPFGDCSA-N 2 2 281.400 -0.005 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NC[C@@H](O)C2CCCCC2)C1 ZINC001220466861 825044908 /nfs/dbraw/zinc/04/49/08/825044908.db2.gz JKKAPAJTTDALRR-GRYCIOLGSA-N 2 2 255.362 -0.267 20 0 CBADLP [NH3+][C@H](CNC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)c1ccccc1 ZINC001220501827 825051523 /nfs/dbraw/zinc/05/15/23/825051523.db2.gz UTNWWYKZFFNMOD-RFQIPJPRSA-N 3 2 274.368 -0.248 20 0 CBADLP COC(C)(CNC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2)OC ZINC001220509078 825051668 /nfs/dbraw/zinc/05/16/68/825051668.db2.gz JVXJFYFBJIXLSX-BXKDBHETSA-N 2 2 257.334 -0.937 20 0 CBADLP [NH3+][C@@H](CNC(=O)C1([NH3+])CC[NH2+]CC1)c1ccccc1 ZINC001220502130 825051996 /nfs/dbraw/zinc/05/19/96/825051996.db2.gz ZNNFJKHQZJZSSG-LBPRGKRZSA-N 3 2 262.357 -0.117 20 0 CBADLP [NH3+][C@@H](CNC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)c1ccccc1 ZINC001220501828 825052509 /nfs/dbraw/zinc/05/25/09/825052509.db2.gz UTNWWYKZFFNMOD-XDQVBPFNSA-N 3 2 274.368 -0.248 20 0 CBADLP O=C(NCc1nccc(Cl)n1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220529575 825058369 /nfs/dbraw/zinc/05/83/69/825058369.db2.gz FDBQYHCUWBKSEN-QPUJVOFHSA-N 2 2 281.747 -0.302 20 0 CBADLP C[C@H]1COCC[C@@H]1NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001220565888 825062995 /nfs/dbraw/zinc/06/29/95/825062995.db2.gz UNFOTKHQRJTGQQ-UGCHFJIKSA-N 2 2 253.346 -0.251 20 0 CBADLP C[C@@H]1COCC[C@@H]1NC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220566003 825063722 /nfs/dbraw/zinc/06/37/22/825063722.db2.gz WTOBPEHAJRHLMV-MPPDQPJWSA-N 2 2 253.346 -0.521 20 0 CBADLP C[C@H]1COCC[C@H]1NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220565988 825063749 /nfs/dbraw/zinc/06/37/49/825063749.db2.gz WMTFJVDDQGIFGS-INTQDDNPSA-N 2 2 252.318 -0.179 20 0 CBADLP C[C@]1(C(=O)NCC[NH+]2CC3(COC3)C2)CCC[NH2+]1 ZINC001220571624 825065561 /nfs/dbraw/zinc/06/55/61/825065561.db2.gz WEAIBKAMXLKCTO-GFCCVEGCSA-N 2 2 253.346 -0.423 20 0 CBADLP C[C@H]1CC[NH2+][C@H](C(=O)NCC[NH+]2CC3(COC3)C2)C1 ZINC001220571699 825067140 /nfs/dbraw/zinc/06/71/40/825067140.db2.gz XKAHVTSRGFICNF-RYUDHWBXSA-N 2 2 267.373 -0.177 20 0 CBADLP CC(C)(O)CCCNC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220573801 825068070 /nfs/dbraw/zinc/06/80/70/825068070.db2.gz XLTFBTDCBSBMER-GARJFASQSA-N 2 2 255.362 -0.396 20 0 CBADLP COC(=O)[C@@H](NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)C(F)(F)F ZINC001220587842 825071481 /nfs/dbraw/zinc/07/14/81/825071481.db2.gz LFNWTNHCFWWDRE-RULNZFCNSA-N 2 2 295.261 -0.844 20 0 CBADLP CN1CCC[C@H](NC(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)C1=O ZINC001220590352 825074196 /nfs/dbraw/zinc/07/41/96/825074196.db2.gz MSRDRYACASFYHI-OLZOCXBDSA-N 2 2 290.367 -0.004 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N[C@H]2CNc3ccccc3C2)C1 ZINC001220601952 825075148 /nfs/dbraw/zinc/07/51/48/825075148.db2.gz PNLXXAPACSKXNN-WZRBSPASSA-N 2 2 260.341 -0.171 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N[C@@H]2NC(=O)c3ccccc32)C1 ZINC001220619735 825077173 /nfs/dbraw/zinc/07/71/73/825077173.db2.gz KRFFPEPSYGOREZ-GGVZMXCHSA-N 2 2 260.297 -0.766 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N[C@H]2NC(=O)c3ccccc32)C1 ZINC001220619736 825077701 /nfs/dbraw/zinc/07/77/01/825077701.db2.gz KRFFPEPSYGOREZ-PPKCKEKNSA-N 2 2 260.297 -0.766 20 0 CBADLP CCOC(=O)[C@H](NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)[C@@H](C)CC ZINC001220666462 825082178 /nfs/dbraw/zinc/08/21/78/825082178.db2.gz YFHVGVYVMGKZBZ-ZRUFSTJUSA-N 2 2 271.361 -0.230 20 0 CBADLP CC(=O)CC(C)(C)NC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220687206 825086793 /nfs/dbraw/zinc/08/67/93/825086793.db2.gz IUDOIPUSDKLFIN-GXFFZTMASA-N 2 2 253.346 -0.188 20 0 CBADLP CC(C)(C)NC(=O)CCNC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220709011 825089448 /nfs/dbraw/zinc/08/94/48/825089448.db2.gz PCRFEAAHPPNRNH-QMTHXVAHSA-N 2 2 282.388 -0.641 20 0 CBADLP CC(C)(C)NC(=O)CCNC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220709012 825089861 /nfs/dbraw/zinc/08/98/61/825089861.db2.gz PCRFEAAHPPNRNH-YGRLFVJLSA-N 2 2 282.388 -0.641 20 0 CBADLP Nc1ncc(CCNC(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)s1 ZINC001220704262 825090121 /nfs/dbraw/zinc/09/01/21/825090121.db2.gz MSYNAXDCRAXDCL-QPUJVOFHSA-N 2 2 281.385 -0.665 20 0 CBADLP [NH3+]Cc1ncccc1NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001220711429 825091402 /nfs/dbraw/zinc/09/14/02/825091402.db2.gz PFUHEYUZUDSWLI-KKFJDGPESA-N 3 2 261.329 -0.299 20 0 CBADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)[C@@H]([NH3+])Cc1nn[nH]n1)C2 ZINC001220716479 825092431 /nfs/dbraw/zinc/09/24/31/825092431.db2.gz IVXPLFUZSACCRY-MMWGEVLESA-N 2 2 293.375 -0.799 20 0 CBADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)[C@@H]([NH3+])Cc1nn[nH]n1)C2 ZINC001220716479 825092424 /nfs/dbraw/zinc/09/24/24/825092424.db2.gz IVXPLFUZSACCRY-MMWGEVLESA-N 2 2 293.375 -0.799 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220725456 825094052 /nfs/dbraw/zinc/09/40/52/825094052.db2.gz RUOXGOSFWJGYCE-RYUDHWBXSA-N 3 2 272.393 -0.720 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220725456 825094056 /nfs/dbraw/zinc/09/40/56/825094056.db2.gz RUOXGOSFWJGYCE-RYUDHWBXSA-N 3 2 272.393 -0.720 20 0 CBADLP CC(=O)NC[C@@H](C)CNC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001220756318 825094879 /nfs/dbraw/zinc/09/48/79/825094879.db2.gz AYSYGQMXRKQUJL-SKDRFNHKSA-N 2 2 281.360 -0.822 20 0 CBADLP O=C(NCCC1CCC(O)CC1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220756527 825098328 /nfs/dbraw/zinc/09/83/28/825098328.db2.gz FMDXAPVDAKVWLL-CTBQFLBTSA-N 2 2 281.400 -0.005 20 0 CBADLP CC1(C)[C@H](NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)C[C@@H]1O ZINC001220766183 825098583 /nfs/dbraw/zinc/09/85/83/825098583.db2.gz NGSJIMZFKVJEDJ-AEJSXWLSSA-N 2 2 252.318 -0.445 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]([NH3+])Cc1nn[nH]n1)CC(C)(C)CC[NH3+] ZINC001220763570 825099994 /nfs/dbraw/zinc/09/99/94/825099994.db2.gz GRYIDICFZDZTSN-ZJUUUORDSA-N 2 2 297.407 -0.413 20 0 CBADLP CC1(C)[C@H](NC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)C[C@@H]1O ZINC001220765775 825100211 /nfs/dbraw/zinc/10/02/11/825100211.db2.gz FCIWZGXQBJAKLB-DAWVFNFOSA-N 2 2 253.346 -0.788 20 0 CBADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)[C@@H](C)C[NH3+] ZINC001220772605 825100553 /nfs/dbraw/zinc/10/05/53/825100553.db2.gz PYGNNYZGDUKKGO-WCBMZHEXSA-N 2 2 268.317 -0.785 20 0 CBADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)[C@]1(C)CC[NH2+]C1 ZINC001220772939 825101164 /nfs/dbraw/zinc/10/11/64/825101164.db2.gz WFKSZUHNRWQIKA-SMDDNHRTSA-N 2 2 294.355 -0.380 20 0 CBADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)[C@@]1(C)CCC[NH2+]1 ZINC001220771820 825101364 /nfs/dbraw/zinc/10/13/64/825101364.db2.gz DXXXDMDEEHPFJW-SMDDNHRTSA-N 2 2 294.355 -0.238 20 0 CBADLP [NH3+][C@@]12CC[C@@](NC(=O)[C@]34C[NH2+]C[C@@H]3CC[NH2+]4)(C1)CCC2 ZINC001220777515 825101373 /nfs/dbraw/zinc/10/13/73/825101373.db2.gz UCEMYCHZFSVUSV-MHEUCROKSA-N 3 2 278.400 -0.142 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NC[C@@H]1CC[NH2+][C@@H]1c1cccnc1 ZINC001220789073 825102822 /nfs/dbraw/zinc/10/28/22/825102822.db2.gz JAFHXVZGWHOQCK-XDQVBPFNSA-N 3 2 289.383 -0.605 20 0 CBADLP COC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001220799603 825104097 /nfs/dbraw/zinc/10/40/97/825104097.db2.gz DEWONZFHDGOZJB-GJMOJQLCSA-N 2 2 297.277 -0.467 20 0 CBADLP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](CCF)C[C@@H]1O ZINC001220807272 825104226 /nfs/dbraw/zinc/10/42/26/825104226.db2.gz SWLLCAPGVIRYAF-NEPJUHHUSA-N 2 2 275.368 -0.151 20 0 CBADLP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001220807272 825104234 /nfs/dbraw/zinc/10/42/34/825104234.db2.gz SWLLCAPGVIRYAF-NEPJUHHUSA-N 2 2 275.368 -0.151 20 0 CBADLP O=C(NCCN1CCC(F)(F)C1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220808714 825106020 /nfs/dbraw/zinc/10/60/20/825106020.db2.gz VLDJZWZCOWWRIT-GXFFZTMASA-N 2 2 288.342 -0.605 20 0 CBADLP COc1ccc(CNC(=O)C2([NH3+])CC[NH2+]CC2)c(OC)n1 ZINC001220823511 825106519 /nfs/dbraw/zinc/10/65/19/825106519.db2.gz LLCNUNQUNIMIIB-UHFFFAOYSA-N 2 2 294.355 -0.204 20 0 CBADLP CCOC(=O)[C@H](C)CNC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220848802 825111723 /nfs/dbraw/zinc/11/17/23/825111723.db2.gz JDTLGKDGKPYYDD-SCZZXKLOSA-N 2 2 268.317 -0.405 20 0 CBADLP COCCC[N@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](O)C1 ZINC001220852575 825111779 /nfs/dbraw/zinc/11/17/79/825111779.db2.gz OIKQWWNGHFLMEJ-OLZOCXBDSA-N 2 2 296.371 -0.542 20 0 CBADLP COCCC[N@@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](O)C1 ZINC001220852575 825111786 /nfs/dbraw/zinc/11/17/86/825111786.db2.gz OIKQWWNGHFLMEJ-OLZOCXBDSA-N 2 2 296.371 -0.542 20 0 CBADLP CCOC(=O)[C@@H](C)CNC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220848803 825112106 /nfs/dbraw/zinc/11/21/06/825112106.db2.gz JDTLGKDGKPYYDD-WCBMZHEXSA-N 2 2 268.317 -0.405 20 0 CBADLP COC[C@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])[C@@H](O)c1ccccc1 ZINC001220865615 825115174 /nfs/dbraw/zinc/11/51/74/825115174.db2.gz DXRYYXWMBNQGSI-XUXIUFHCSA-N 2 2 293.367 -0.602 20 0 CBADLP CCC[C@@H](CCO)NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001220868420 825115248 /nfs/dbraw/zinc/11/52/48/825115248.db2.gz ISTFUQAIPCNAIQ-WGBDABJCSA-N 2 2 255.362 -0.125 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCCc2c[nH]c3cc[nH+]cc23)C1 ZINC001220865967 825115369 /nfs/dbraw/zinc/11/53/69/825115369.db2.gz ORADXHDXKSJSNY-MFKMUULPSA-N 3 2 273.340 -0.089 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NCc1cc2ccncc2[nH]1 ZINC001220868340 825115681 /nfs/dbraw/zinc/11/56/81/825115681.db2.gz GPFYKJVOLJKTCP-QWRGUYRKSA-N 2 2 259.313 -0.274 20 0 CBADLP CCC[C@@H](CCO)NC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220868777 825116762 /nfs/dbraw/zinc/11/67/62/825116762.db2.gz UCVJEXFBJMUOJK-MDZLAQPJSA-N 2 2 255.362 -0.395 20 0 CBADLP CCn1nnc2c1[C@@H](C(=O)N[C@H]1CCC[NH2+]C1)C[NH2+]C2 ZINC001220882098 825120003 /nfs/dbraw/zinc/12/00/03/825120003.db2.gz RVWKASWDHFMNRM-UWVGGRQHSA-N 2 2 278.360 -0.647 20 0 CBADLP COCC[N@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@@H](O)C1 ZINC001220888589 825120940 /nfs/dbraw/zinc/12/09/40/825120940.db2.gz QFBQRDUKQLYWJS-OLZOCXBDSA-N 2 2 296.371 -0.840 20 0 CBADLP COCC[N@@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@@H](O)C1 ZINC001220888589 825120942 /nfs/dbraw/zinc/12/09/42/825120942.db2.gz QFBQRDUKQLYWJS-OLZOCXBDSA-N 2 2 296.371 -0.840 20 0 CBADLP CCC(=O)N1CC[C@H](NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)C1 ZINC001220907419 825122210 /nfs/dbraw/zinc/12/22/10/825122210.db2.gz QWKUBGFBDHHMAQ-OXIWPEFWSA-N 2 2 280.372 -0.665 20 0 CBADLP CCC(=O)N1CC[C@H](NC(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)C1 ZINC001220907473 825122454 /nfs/dbraw/zinc/12/24/54/825122454.db2.gz UAPLEALXCLXBIM-COPLHBTASA-N 2 2 280.372 -0.935 20 0 CBADLP [NH3+]CCC[C@H]([NH3+])C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC001220933823 825126226 /nfs/dbraw/zinc/12/62/26/825126226.db2.gz BBQHPCFMAVDGBY-NEPJUHHUSA-N 3 2 277.372 -0.157 20 0 CBADLP Cc1noc(C2(NC(=O)[C@]34C[NH2+]C[C@H]3CC[NH2+]4)CC2)n1 ZINC001220933026 825126305 /nfs/dbraw/zinc/12/63/05/825126305.db2.gz UEZYUBYPOJRUSF-RNCFNFMXSA-N 2 2 277.328 -0.565 20 0 CBADLP CC(C)Oc1nccc(CNC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)n1 ZINC001220988646 825132459 /nfs/dbraw/zinc/13/24/59/825132459.db2.gz QBEFWCXICXWOQB-KOLCDFICSA-N 2 2 279.344 -0.431 20 0 CBADLP CC(C)Oc1nccc(CNC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])n1 ZINC001220987590 825132815 /nfs/dbraw/zinc/13/28/15/825132815.db2.gz CGEMXLOOVJSISA-QWRGUYRKSA-N 2 2 279.344 -0.573 20 0 CBADLP O=C(NCC1(c2cnccn2)CC1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220993039 825134164 /nfs/dbraw/zinc/13/41/64/825134164.db2.gz YUCSDNXBLXIQSM-NHYWBVRUSA-N 2 2 287.367 -0.424 20 0 CBADLP C[C@@H]1C[C@@H](NC(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)CCO1 ZINC001221008033 825135286 /nfs/dbraw/zinc/13/52/86/825135286.db2.gz HMLMDVHAQKPULJ-SCVCMEIPSA-N 2 2 266.345 -0.026 20 0 CBADLP C[C@@H]1C[C@H](NC(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)CCO1 ZINC001221007926 825135900 /nfs/dbraw/zinc/13/59/00/825135900.db2.gz HMLMDVHAQKPULJ-FOGDFJRCSA-N 2 2 266.345 -0.026 20 0 CBADLP C[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)CCO1 ZINC001221008646 825135914 /nfs/dbraw/zinc/13/59/14/825135914.db2.gz XQWCFMBELCPWGC-UHFZAUJKSA-N 2 2 253.346 -0.380 20 0 CBADLP [NH3+]C[C@@H](O)CC(=O)NCc1c[nH+]cn1C1CCC1 ZINC001221023380 825138619 /nfs/dbraw/zinc/13/86/19/825138619.db2.gz JTAUPYHFIRKIMV-NSHDSACASA-N 2 2 252.318 -0.066 20 0 CBADLP [NH3+]CCN(C(=O)[C@@H]([NH3+])Cc1nn[nH]n1)c1ccc(F)cc1 ZINC001221060606 825140108 /nfs/dbraw/zinc/14/01/08/825140108.db2.gz HJECUPNDAZFJNP-JTQLQIEISA-N 2 2 293.306 -0.800 20 0 CBADLP Cc1nccnc1CNC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001221104258 825144101 /nfs/dbraw/zinc/14/41/01/825144101.db2.gz ZYCWUCGLCYOVJT-MFKMUULPSA-N 2 2 261.329 -0.647 20 0 CBADLP COCCC1([NH3+])CCN(C(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)CC1 ZINC001221133995 825146359 /nfs/dbraw/zinc/14/63/59/825146359.db2.gz FWZNOVPCVUJMHD-LBPRGKRZSA-N 3 2 295.387 -0.364 20 0 CBADLP CC(C)OCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001221166016 825148807 /nfs/dbraw/zinc/14/88/07/825148807.db2.gz FYSWOTIWCNGNTN-OLZOCXBDSA-N 2 2 296.371 -0.531 20 0 CBADLP CC(C)OCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001221166016 825148810 /nfs/dbraw/zinc/14/88/10/825148810.db2.gz FYSWOTIWCNGNTN-OLZOCXBDSA-N 2 2 296.371 -0.531 20 0 CBADLP COCC1(CNC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)CCOCC1 ZINC001221176973 825150535 /nfs/dbraw/zinc/15/05/35/825150535.db2.gz WGWRIFAYHPAUMN-RWMBFGLXSA-N 2 2 297.399 -0.504 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCc2nc3cc[nH]cc-3n2)C1 ZINC001221194416 825153353 /nfs/dbraw/zinc/15/33/53/825153353.db2.gz QPNJAXVQZFZJJH-APPZFPTMSA-N 2 2 260.301 -0.737 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N[C@@]1(C)CCC[N@H+](C)C1 ZINC001221241446 825158395 /nfs/dbraw/zinc/15/83/95/825158395.db2.gz VRUBYUZVKHESMU-JSGCOSHPSA-N 3 2 279.388 -0.110 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N[C@@]1(C)CCC[N@@H+](C)C1 ZINC001221241446 825158402 /nfs/dbraw/zinc/15/84/02/825158402.db2.gz VRUBYUZVKHESMU-JSGCOSHPSA-N 3 2 279.388 -0.110 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N[C@]1(C)CCC[N@H+](C)C1 ZINC001221241445 825159025 /nfs/dbraw/zinc/15/90/25/825159025.db2.gz VRUBYUZVKHESMU-GXTWGEPZSA-N 3 2 279.388 -0.110 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N[C@]1(C)CCC[N@@H+](C)C1 ZINC001221241445 825159030 /nfs/dbraw/zinc/15/90/30/825159030.db2.gz VRUBYUZVKHESMU-GXTWGEPZSA-N 3 2 279.388 -0.110 20 0 CBADLP C[N@@H+]1CC[C@@H](CNC(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)C1 ZINC001221254672 825162721 /nfs/dbraw/zinc/16/27/21/825162721.db2.gz RYYPHLHJDMAVQF-GVXVVHGQSA-N 3 2 252.362 -0.994 20 0 CBADLP C[N@H+]1CC[C@@H](CNC(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)C1 ZINC001221254672 825162724 /nfs/dbraw/zinc/16/27/24/825162724.db2.gz RYYPHLHJDMAVQF-GVXVVHGQSA-N 3 2 252.362 -0.994 20 0 CBADLP CCOC(=O)C=C(NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)OCC ZINC001221262563 825163329 /nfs/dbraw/zinc/16/33/29/825163329.db2.gz IBGAPHCIPLFKDO-OYUORYAFSA-N 2 2 296.327 -0.163 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NC[C@@H](F)C(C)(C)O ZINC001221260341 825163437 /nfs/dbraw/zinc/16/34/37/825163437.db2.gz ODKQWTSRSLDLJK-VHSXEESVSA-N 2 2 272.324 -0.485 20 0 CBADLP COC(=O)[C@H](CCc1cn(C)c[nH+]1)NC(=O)C1([NH3+])CC1 ZINC001221256921 825163546 /nfs/dbraw/zinc/16/35/46/825163546.db2.gz RGKWGGPDXRTPAI-JTQLQIEISA-N 2 2 280.328 -0.498 20 0 CBADLP CCOC(=O)/C=C(/NC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2)OCC ZINC001221262480 825163641 /nfs/dbraw/zinc/16/36/41/825163641.db2.gz FXEMXFNUOQBKHG-OHESGRPPSA-N 2 2 297.355 -0.505 20 0 CBADLP CC(C)(O)[C@H](F)CNC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001221260643 825164318 /nfs/dbraw/zinc/16/43/18/825164318.db2.gz UFZBMJRWKBAWAQ-LNLATYFQSA-N 2 2 259.325 -0.837 20 0 CBADLP CC[C@H](C)[C@H](NC(=O)C[NH2+]C1CC[NH2+]CC1)C(=O)N(C)C ZINC001221278004 825165119 /nfs/dbraw/zinc/16/51/19/825165119.db2.gz DYJAWQPHMSOPQL-FZMZJTMJSA-N 2 2 298.431 -0.053 20 0 CBADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCCNC(=O)C1 ZINC001221269393 825165217 /nfs/dbraw/zinc/16/52/17/825165217.db2.gz MCOHCTPIYBLYKY-PSASIEDQSA-N 2 2 265.317 -0.936 20 0 CBADLP CC[C@H](C)[C@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])C(=O)N(C)C ZINC001221278482 825167143 /nfs/dbraw/zinc/16/71/43/825167143.db2.gz UTWCSLWAKALVTP-NAKRPEOUSA-N 2 2 270.377 -0.848 20 0 CBADLP O=C(NCc1cnc(Cl)cn1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001221319353 825171432 /nfs/dbraw/zinc/17/14/32/825171432.db2.gz XFPWCDBMFPKWPA-UJNFCWOMSA-N 2 2 281.747 -0.304 20 0 CBADLP [NH3+]C[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001221333330 825172323 /nfs/dbraw/zinc/17/23/23/825172323.db2.gz RQYQRQPKKLVVBH-RDBSUJKOSA-N 3 2 274.368 -0.412 20 0 CBADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)NC[C@@H](O)CF)cc1 ZINC001221337745 825173262 /nfs/dbraw/zinc/17/32/62/825173262.db2.gz MCYJBDUDMJMVKR-WDEREUQCSA-N 2 2 255.293 -0.295 20 0 CBADLP COc1cnccc1CCNC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001221337358 825173736 /nfs/dbraw/zinc/17/37/36/825173736.db2.gz KNNQHMGHXIPPGL-UHFFFAOYSA-N 2 2 278.356 -0.170 20 0 CBADLP CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCCC[NH3+] ZINC001221343914 825175276 /nfs/dbraw/zinc/17/52/76/825175276.db2.gz RCBYUQKDJVKQMP-LLVKDONJSA-N 2 2 267.333 -0.688 20 0 CBADLP CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCCC[NH3+] ZINC001221343914 825175279 /nfs/dbraw/zinc/17/52/79/825175279.db2.gz RCBYUQKDJVKQMP-LLVKDONJSA-N 2 2 267.333 -0.688 20 0 CBADLP CC(C)(C)[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001221356985 825176080 /nfs/dbraw/zinc/17/60/80/825176080.db2.gz FEACNCYJANKRAH-AVGNSLFASA-N 2 2 299.415 -0.428 20 0 CBADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C[NH2+]CC[C@H]1F ZINC001221367129 825176348 /nfs/dbraw/zinc/17/63/48/825176348.db2.gz XQDFIEYLSBAHOF-KXUCPTDWSA-N 3 2 255.297 -0.904 20 0 CBADLP COC1CC(CNC(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)C1 ZINC001221368779 825177254 /nfs/dbraw/zinc/17/72/54/825177254.db2.gz ZOOZIZYZXJNLIF-MEVFXHMWSA-N 2 2 253.346 -0.521 20 0 CBADLP O=C(NCCOc1cc[nH+]cc1)[C@H]1C[NH2+]C[C@H]1O ZINC001221393838 825181290 /nfs/dbraw/zinc/18/12/90/825181290.db2.gz OMNDVJWGZGYYQT-WDEREUQCSA-N 2 2 251.286 -0.843 20 0 CBADLP O=C(NCCOc1cc[nH+]cc1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001221394133 825181647 /nfs/dbraw/zinc/18/16/47/825181647.db2.gz WONTXMZGUFBJKN-GFCCVEGCSA-N 3 2 276.340 -0.614 20 0 CBADLP [NH3+]CCSC[C@H]([NH3+])C(=O)NCCOc1cc[nH+]cc1 ZINC001221393374 825181790 /nfs/dbraw/zinc/18/17/90/825181790.db2.gz CCJDVCUHFKKKPL-NSHDSACASA-N 3 2 284.385 -0.404 20 0 CBADLP C[C@]1(NC(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)CCCOC1 ZINC001221402347 825182227 /nfs/dbraw/zinc/18/22/27/825182227.db2.gz DRZHZOZYMHITPE-WCFLWFBJSA-N 2 2 253.346 -0.377 20 0 CBADLP C[NH+](C)CC1CCC(NC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)CC1 ZINC001221402211 825182936 /nfs/dbraw/zinc/18/29/36/825182936.db2.gz YYCIQUIKFKVBNX-ILDUYXDCSA-N 2 2 295.391 -0.694 20 0 CBADLP CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)[C@@H](C)C1 ZINC001221405893 825184298 /nfs/dbraw/zinc/18/42/98/825184298.db2.gz CKYDREAEFBBDMV-LOWDOPEQSA-N 3 2 268.405 -0.089 20 0 CBADLP CC(C)[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)[C@@H](C)C1 ZINC001221405893 825184304 /nfs/dbraw/zinc/18/43/04/825184304.db2.gz CKYDREAEFBBDMV-LOWDOPEQSA-N 3 2 268.405 -0.089 20 0 CBADLP O=C(N[C@H](C1CCC1)C1C[NH2+]C1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001221408074 825185119 /nfs/dbraw/zinc/18/51/19/825185119.db2.gz GUBRSKDRGPIUGH-SCUASFONSA-N 3 2 278.400 -0.559 20 0 CBADLP CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])[C@H](C)C1 ZINC001221409528 825185732 /nfs/dbraw/zinc/18/57/32/825185732.db2.gz OSQYEBRINRIXBZ-MROQNXINSA-N 3 2 268.405 -0.232 20 0 CBADLP CC(C)[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])[C@H](C)C1 ZINC001221409528 825185735 /nfs/dbraw/zinc/18/57/35/825185735.db2.gz OSQYEBRINRIXBZ-MROQNXINSA-N 3 2 268.405 -0.232 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N[C@H](C1CCC1)C1C[NH2+]C1 ZINC001221411381 825186869 /nfs/dbraw/zinc/18/68/69/825186869.db2.gz VZVFRYWWJFQCET-UONOGXRCSA-N 3 2 291.399 -0.206 20 0 CBADLP C[NH+](C)CC1(C(=O)N2C[C@H]3CC[N@H+](CC(N)=O)C[C@H]32)CC1 ZINC001221773107 825194548 /nfs/dbraw/zinc/19/45/48/825194548.db2.gz XWSFUSORIQGESG-VXGBXAGGSA-N 2 2 294.399 -0.654 20 0 CBADLP C[NH+](C)CC1(C(=O)N2C[C@H]3CC[N@@H+](CC(N)=O)C[C@H]32)CC1 ZINC001221773107 825194554 /nfs/dbraw/zinc/19/45/54/825194554.db2.gz XWSFUSORIQGESG-VXGBXAGGSA-N 2 2 294.399 -0.654 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CCC[C@@H]([NH2+]CCCO)C1 ZINC001222098629 825200816 /nfs/dbraw/zinc/20/08/16/825200816.db2.gz OBBWMUSOAJDDEM-GFCCVEGCSA-N 2 2 266.345 -0.154 20 0 CBADLP CN(C)C(=O)C[NH2+][C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001222097416 825201181 /nfs/dbraw/zinc/20/11/81/825201181.db2.gz ANOMEDMYBNQDFD-LBPRGKRZSA-N 2 2 293.371 -0.448 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CCC[C@@H]([NH2+]CCOCCO)C1 ZINC001222097784 825201297 /nfs/dbraw/zinc/20/12/97/825201297.db2.gz GHLLHQRYTLTQKQ-CYBMUJFWSA-N 2 2 296.371 -0.527 20 0 CBADLP CCOC(=O)CC[N@@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222491799 825212751 /nfs/dbraw/zinc/21/27/51/825212751.db2.gz ISNHFGGCZLCDBV-RYUDHWBXSA-N 2 2 255.362 -0.035 20 0 CBADLP CCOC(=O)CC[N@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222491799 825212761 /nfs/dbraw/zinc/21/27/61/825212761.db2.gz ISNHFGGCZLCDBV-RYUDHWBXSA-N 2 2 255.362 -0.035 20 0 CBADLP COC(=O)[C@H](C)CN1CC[NH2+][C@H]2CC[NH2+]CC[C@@H]21 ZINC001222491571 825213197 /nfs/dbraw/zinc/21/31/97/825213197.db2.gz FAPIROCAQVOJRA-WOPDTQHZSA-N 2 2 255.362 -0.179 20 0 CBADLP CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001228801428 825323691 /nfs/dbraw/zinc/32/36/91/825323691.db2.gz ZLUCOJIAKRSRLW-VXGBXAGGSA-N 2 2 293.371 -0.285 20 0 CBADLP COC[C@@H](O)C[NH+]1CCC(NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001229355485 825331411 /nfs/dbraw/zinc/33/14/11/825331411.db2.gz ASRVOYVPYZVSPS-ZDUSSCGKSA-N 2 2 296.371 -0.460 20 0 CBADLP Cn1cc(C[NH+]2CCC([NH+]3CCC3)CC2)c(=O)n(C)c1=O ZINC001231771355 825415453 /nfs/dbraw/zinc/41/54/53/825415453.db2.gz NMNDSEWUNIKXQC-UHFFFAOYSA-N 2 2 292.383 -0.246 20 0 CBADLP C[NH+](C)CCN1CC[N@H+](Cc2ccc(=O)[nH]n2)CCC1=O ZINC001232026450 825418527 /nfs/dbraw/zinc/41/85/27/825418527.db2.gz PRSGYSFXUCVCMF-UHFFFAOYSA-N 2 2 293.371 -0.222 20 0 CBADLP C(C[N@@H+]1CCN2CC[NH2+]C[C@@H]2C1)C1CC[NH2+]CC1 ZINC001234976806 825479004 /nfs/dbraw/zinc/47/90/04/825479004.db2.gz WKFXIQOTYJVSCC-CQSZACIVSA-N 3 2 252.406 -0.035 20 0 CBADLP C(C[N@H+]1CCN2CC[NH2+]C[C@@H]2C1)C1CC[NH2+]CC1 ZINC001234976806 825479007 /nfs/dbraw/zinc/47/90/07/825479007.db2.gz WKFXIQOTYJVSCC-CQSZACIVSA-N 3 2 252.406 -0.035 20 0 CBADLP CC1(C)O[C@@H]2O[C@@H](C[N@@H+]3CCC4(C[NH2+]C4)C3)[C@@H](O)[C@@H]2O1 ZINC001235025256 825481547 /nfs/dbraw/zinc/48/15/47/825481547.db2.gz YTSJILCHMONNRM-USZNOCQGSA-N 2 2 284.356 -0.481 20 0 CBADLP CC1(C)O[C@@H]2O[C@@H](C[N@H+]3CCC4(C[NH2+]C4)C3)[C@@H](O)[C@@H]2O1 ZINC001235025256 825481556 /nfs/dbraw/zinc/48/15/56/825481556.db2.gz YTSJILCHMONNRM-USZNOCQGSA-N 2 2 284.356 -0.481 20 0 CBADLP Cc1ncc(CO)c(C[N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)c1O ZINC001235058885 825485516 /nfs/dbraw/zinc/48/55/16/825485516.db2.gz AOZUGZXBBGXOMC-OAHLLOKOSA-N 2 2 292.383 -0.275 20 0 CBADLP Cc1ncc(CO)c(C[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)c1O ZINC001235058885 825485519 /nfs/dbraw/zinc/48/55/19/825485519.db2.gz AOZUGZXBBGXOMC-OAHLLOKOSA-N 2 2 292.383 -0.275 20 0 CBADLP FC1(C[N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)CC[NH2+]CC1 ZINC001235054373 825485673 /nfs/dbraw/zinc/48/56/73/825485673.db2.gz WVWRQZOFZGHZPE-CYBMUJFWSA-N 3 2 256.369 -0.285 20 0 CBADLP FC1(C[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)CC[NH2+]CC1 ZINC001235054373 825485677 /nfs/dbraw/zinc/48/56/77/825485677.db2.gz WVWRQZOFZGHZPE-CYBMUJFWSA-N 3 2 256.369 -0.285 20 0 CBADLP O=C1CCC[C@@]2(C[NH2+]CC[N@@H+](CCCCO)C2)N1 ZINC001235173647 825486787 /nfs/dbraw/zinc/48/67/87/825486787.db2.gz DHYPCIVJIAUJQN-ZDUSSCGKSA-N 2 2 255.362 -0.297 20 0 CBADLP O=C1CCC[C@@]2(C[NH2+]CC[N@H+](CCCCO)C2)N1 ZINC001235173647 825486793 /nfs/dbraw/zinc/48/67/93/825486793.db2.gz DHYPCIVJIAUJQN-ZDUSSCGKSA-N 2 2 255.362 -0.297 20 0 CBADLP [NH3+]CC[N@@H+]1C[C@@H]2COC[C@H](C(=O)Nc3cnccn3)[C@@H]2C1 ZINC001235492688 825497693 /nfs/dbraw/zinc/49/76/93/825497693.db2.gz DXQAIYBYSFDXCK-UTUOFQBUSA-N 2 2 291.355 -0.432 20 0 CBADLP [NH3+]CC[N@H+]1C[C@@H]2COC[C@H](C(=O)Nc3cnccn3)[C@@H]2C1 ZINC001235492688 825497696 /nfs/dbraw/zinc/49/76/96/825497696.db2.gz DXQAIYBYSFDXCK-UTUOFQBUSA-N 2 2 291.355 -0.432 20 0 CBADLP C[C@@H]([NH3+])C[N@@H+]1C[C@H]2OCC[C@H]2[C@@H](C(=O)N2CCOCC2)C1 ZINC001235527798 825502032 /nfs/dbraw/zinc/50/20/32/825502032.db2.gz WWJSRTZNKCNCEW-ZOBORPQBSA-N 2 2 297.399 -0.471 20 0 CBADLP C[C@@H]([NH3+])C[N@H+]1C[C@H]2OCC[C@H]2[C@@H](C(=O)N2CCOCC2)C1 ZINC001235527798 825502036 /nfs/dbraw/zinc/50/20/36/825502036.db2.gz WWJSRTZNKCNCEW-ZOBORPQBSA-N 2 2 297.399 -0.471 20 0 CBADLP C[C@H]([NH3+])C[N@@H+]1CCC[C@@]2(CCN(CC(=O)N(C)C)C2=O)C1 ZINC001235552200 825502777 /nfs/dbraw/zinc/50/27/77/825502777.db2.gz ZJDQIYPHQNQPRS-SWLSCSKDSA-N 2 2 296.415 -0.264 20 0 CBADLP C[C@H]([NH3+])C[N@H+]1CCC[C@@]2(CCN(CC(=O)N(C)C)C2=O)C1 ZINC001235552200 825502784 /nfs/dbraw/zinc/50/27/84/825502784.db2.gz ZJDQIYPHQNQPRS-SWLSCSKDSA-N 2 2 296.415 -0.264 20 0 CBADLP C[C@@H]([NH3+])C[N@@H+]1CCC[C@@]2(CCN(CC(=O)N(C)C)C2=O)C1 ZINC001235552199 825503006 /nfs/dbraw/zinc/50/30/06/825503006.db2.gz ZJDQIYPHQNQPRS-IUODEOHRSA-N 2 2 296.415 -0.264 20 0 CBADLP C[C@@H]([NH3+])C[N@H+]1CCC[C@@]2(CCN(CC(=O)N(C)C)C2=O)C1 ZINC001235552199 825503010 /nfs/dbraw/zinc/50/30/10/825503010.db2.gz ZJDQIYPHQNQPRS-IUODEOHRSA-N 2 2 296.415 -0.264 20 0 CBADLP CN(C)C(=O)CN1CC[C@@]2(CCC[N@H+](CC[NH3+])C2)C1=O ZINC001235549330 825503675 /nfs/dbraw/zinc/50/36/75/825503675.db2.gz IASBNNKQOPTTKL-CQSZACIVSA-N 2 2 282.388 -0.652 20 0 CBADLP CN(C)C(=O)CN1CC[C@@]2(CCC[N@@H+](CC[NH3+])C2)C1=O ZINC001235549330 825503678 /nfs/dbraw/zinc/50/36/78/825503678.db2.gz IASBNNKQOPTTKL-CQSZACIVSA-N 2 2 282.388 -0.652 20 0 CBADLP OCCCC[NH+]1CCN(CC[NH+]2CCOCC2)CC1 ZINC001235678065 825511446 /nfs/dbraw/zinc/51/14/46/825511446.db2.gz KVVSFVCVPHRIMH-UHFFFAOYSA-N 2 2 271.405 -0.291 20 0 CBADLP Nc1cccc(CN2CC[NH2+]CCNCC[NH2+]CC2)[nH+]1 ZINC001235870520 825516993 /nfs/dbraw/zinc/51/69/93/825516993.db2.gz JTLHIKBHEWOUQD-UHFFFAOYSA-N 3 2 278.404 -0.752 20 0 CBADLP CCn1c[nH+]cc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235874166 825517462 /nfs/dbraw/zinc/51/74/62/825517462.db2.gz LZSWVEOKPLHCKT-UHFFFAOYSA-N 3 2 280.420 -0.513 20 0 CBADLP CCn1c[nH+]cc1CN1CC[NH2+]C[C@H]1C(=O)OC ZINC001236058104 825523492 /nfs/dbraw/zinc/52/34/92/825523492.db2.gz KMOQCXODWDHYMA-NSHDSACASA-N 2 2 252.318 -0.150 20 0 CBADLP COC(=O)[C@H]1C[N@H+](CC2(C)CC[NH2+]CC2)C[C@@H]1[NH3+] ZINC001236340016 825527027 /nfs/dbraw/zinc/52/70/27/825527027.db2.gz GWULVILKTCXGEO-QWRGUYRKSA-N 3 2 255.362 -0.192 20 0 CBADLP COC(=O)[C@H]1C[N@@H+](CC2(C)CC[NH2+]CC2)C[C@@H]1[NH3+] ZINC001236340016 825527031 /nfs/dbraw/zinc/52/70/31/825527031.db2.gz GWULVILKTCXGEO-QWRGUYRKSA-N 3 2 255.362 -0.192 20 0 CBADLP COC(=O)[C@@H]1CN(C[C@@H]2[C@@H](C)C[NH2+]CC2(F)F)C[C@@H]1[NH3+] ZINC001236346509 825529936 /nfs/dbraw/zinc/52/99/36/825529936.db2.gz ZNIQXHXFSRVCKW-ZDCRXTMVSA-N 2 2 291.342 -0.091 20 0 CBADLP COC(=O)[C@H]1CN(Cc2c(C)[nH+]cn2C)C[C@@H]1[NH3+] ZINC001236357712 825532611 /nfs/dbraw/zinc/53/26/11/825532611.db2.gz SUSATBGVCUDFPM-UWVGGRQHSA-N 2 2 252.318 -0.339 20 0 CBADLP CC(=O)N1CC2(C1)C[N@H+](C[C@@H](C)[NH3+])C[C@H]2C(=O)N(C)C ZINC001237179267 825534995 /nfs/dbraw/zinc/53/49/95/825534995.db2.gz JGHOZTJCJSPEON-PWSUYJOCSA-N 2 2 282.388 -0.798 20 0 CBADLP CC(=O)N1CC2(C1)C[N@@H+](C[C@@H](C)[NH3+])C[C@H]2C(=O)N(C)C ZINC001237179267 825534997 /nfs/dbraw/zinc/53/49/97/825534997.db2.gz JGHOZTJCJSPEON-PWSUYJOCSA-N 2 2 282.388 -0.798 20 0 CBADLP [NH3+]CCS(=O)(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC001238501474 825554609 /nfs/dbraw/zinc/55/46/09/825554609.db2.gz UNTCUNGMCTWHJX-SSDOTTSWSA-N 2 2 257.306 -0.891 20 0 CBADLP [NH3+]CCS(=O)(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC001238501475 825554976 /nfs/dbraw/zinc/55/49/76/825554976.db2.gz UNTCUNGMCTWHJX-ZETCQYMHSA-N 2 2 257.306 -0.891 20 0 CBADLP Cc1ccc(S(=O)(=O)NCC[NH2+]CC[NH3+])cc1F ZINC001238836864 825565990 /nfs/dbraw/zinc/56/59/90/825565990.db2.gz AHCIRZZXKHAYSL-UHFFFAOYSA-N 2 2 275.349 -0.039 20 0 CBADLP C[Si](C)(C)CCS(=O)(=O)NCC[NH2+]CC[NH3+] ZINC001238837113 825566130 /nfs/dbraw/zinc/56/61/30/825566130.db2.gz AZSNYPOKUCSHIV-UHFFFAOYSA-N 2 2 267.471 -0.208 20 0 CBADLP [NH3+]CCS(=O)(=O)N1C[C@H]2C[N@H+](CC3CC3)C[C@@H](C1)O2 ZINC001239081378 825584741 /nfs/dbraw/zinc/58/47/41/825584741.db2.gz KOVLTVVZVVOSLX-TXEJJXNPSA-N 2 2 289.401 -0.930 20 0 CBADLP [NH3+]CCS(=O)(=O)N1C[C@H]2C[N@@H+](CC3CC3)C[C@@H](C1)O2 ZINC001239081378 825584747 /nfs/dbraw/zinc/58/47/47/825584747.db2.gz KOVLTVVZVVOSLX-TXEJJXNPSA-N 2 2 289.401 -0.930 20 0 CBADLP CC1([NH+]2CCOCC2)CCN(S(=O)(=O)CC[NH3+])CC1 ZINC001239100720 825587591 /nfs/dbraw/zinc/58/75/91/825587591.db2.gz JFHZCAVFIPPKJU-UHFFFAOYSA-N 2 2 291.417 -0.538 20 0 CBADLP CC(C)CNC(=S)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001239439582 825603854 /nfs/dbraw/zinc/60/38/54/825603854.db2.gz SBFMKJXFZGRGBL-UHFFFAOYSA-N 2 2 287.477 -0.399 20 0 CBADLP CC[C@@H](C)NC(=S)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001239439779 825604293 /nfs/dbraw/zinc/60/42/93/825604293.db2.gz XKDXNLFNZKTDFT-GFCCVEGCSA-N 2 2 287.477 -0.256 20 0 CBADLP OC1(C[NH2+]C[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CCOCC1 ZINC001245989227 825618108 /nfs/dbraw/zinc/61/81/08/825618108.db2.gz ZAHNVERQKBZQNY-CYBMUJFWSA-N 3 2 283.416 -0.008 20 0 CBADLP O[C@H](CN[C@@H]1CCCC[NH2+]C1)C[NH+]1CCOCC1 ZINC001245995063 825619981 /nfs/dbraw/zinc/61/99/81/825619981.db2.gz RZXYDMFVEKGJEK-CHWSQXEVSA-N 2 2 257.378 -0.589 20 0 CBADLP O[C@@H](C[NH2+][C@@H]1CCC[NH2+]C1)CC1(O)CC[NH2+]CC1 ZINC001246008822 825620412 /nfs/dbraw/zinc/62/04/12/825620412.db2.gz FTEMQCWLKTZXAI-VXGBXAGGSA-N 3 2 257.378 -0.807 20 0 CBADLP O[C@H](C[NH2+][C@@H]1CCC[NH2+]C1)CC1(O)CC[NH2+]CC1 ZINC001246008820 825621134 /nfs/dbraw/zinc/62/11/34/825621134.db2.gz FTEMQCWLKTZXAI-NEPJUHHUSA-N 3 2 257.378 -0.807 20 0 CBADLP [NH3+][C@H]1CN(C[C@@H](O)C[NH+]2CCOCC2)CC(F)(F)C1 ZINC001246028463 825627150 /nfs/dbraw/zinc/62/71/50/825627150.db2.gz JWZVVHLZHSUOOT-MNOVXSKESA-N 2 2 279.331 -0.652 20 0 CBADLP O[C@H](CN1CCCC[C@@]12CC[NH2+]C2)C[NH+]1CCOCC1 ZINC001246031150 825627644 /nfs/dbraw/zinc/62/76/44/825627644.db2.gz JGFKXIWSHIPJLB-GJZGRUSLSA-N 2 2 283.416 -0.103 20 0 CBADLP O[C@H](CN1CC[C@@H]2[NH2+]CC[C@H]21)C[NH+]1CCOCC1 ZINC001246028898 825627695 /nfs/dbraw/zinc/62/76/95/825627695.db2.gz UOWWTCHXYIKNTG-RWMBFGLXSA-N 2 2 255.362 -0.884 20 0 CBADLP [NH3+][C@@H]1CN(C[C@@H](O)C[NH+]2CCOCC2)CC(F)(F)C1 ZINC001246028468 825627909 /nfs/dbraw/zinc/62/79/09/825627909.db2.gz JWZVVHLZHSUOOT-QWRGUYRKSA-N 2 2 279.331 -0.652 20 0 CBADLP [NH3+][C@]12CC[C@H]1C[N@H+](C[C@@H](O)CC1(O)CC[NH2+]CC1)C2 ZINC001246044962 825629591 /nfs/dbraw/zinc/62/95/91/825629591.db2.gz IKXVNTMPXLIFKG-OBJOEFQTSA-N 3 2 269.389 -0.725 20 0 CBADLP [NH3+][C@]12CC[C@H]1C[N@@H+](C[C@@H](O)CC1(O)CC[NH2+]CC1)C2 ZINC001246044962 825629597 /nfs/dbraw/zinc/62/95/97/825629597.db2.gz IKXVNTMPXLIFKG-OBJOEFQTSA-N 3 2 269.389 -0.725 20 0 CBADLP COC(=O)[C@@H]1CC[C@H]([NH2+]CCn2cc[nH+]c2)CN1 ZINC001246072904 825632770 /nfs/dbraw/zinc/63/27/70/825632770.db2.gz MWASSWWGYGNHOK-QWRGUYRKSA-N 2 2 252.318 -0.234 20 0 CBADLP COC(=O)[C@@H]1C[C@H](N[C@@]2(C(F)(F)F)CC[NH2+]C2)C[NH2+]1 ZINC001246079785 825633712 /nfs/dbraw/zinc/63/37/12/825633712.db2.gz FDWKTNOFWGYFCM-NRPADANISA-N 2 2 281.278 -0.226 20 0 CBADLP COC(=O)[C@@H]1C[C@@H]([NH2+]C[C@H]2C[NH2+]CCC2(F)F)CN1 ZINC001246086115 825634696 /nfs/dbraw/zinc/63/46/96/825634696.db2.gz BVTSKXBHEKFMLM-BBBLOLIVSA-N 2 2 277.315 -0.276 20 0 CBADLP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)CN1 ZINC001246092488 825635405 /nfs/dbraw/zinc/63/54/05/825635405.db2.gz SBBMNBVVIBAEEF-NAKRPEOUSA-N 2 2 259.325 -0.430 20 0 CBADLP COC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2C[NH2+]CC[C@H]2C)CN1 ZINC001246096995 825635886 /nfs/dbraw/zinc/63/58/86/825635886.db2.gz MSVVHBXSMNYADC-RHYQMDGZSA-N 2 2 255.362 -0.132 20 0 CBADLP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[C@@H](F)C[NH2+]2)CN1 ZINC001246112816 825636757 /nfs/dbraw/zinc/63/67/57/825636757.db2.gz SBBMNBVVIBAEEF-RCWTZXSCSA-N 2 2 259.325 -0.430 20 0 CBADLP CCOC(=O)C[C@]1([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CC[NH2+]C1 ZINC001246133175 825638772 /nfs/dbraw/zinc/63/87/72/825638772.db2.gz UHHZKRVKHPBVEM-GXTWGEPZSA-N 3 2 296.415 -0.645 20 0 CBADLP COC(=O)[C@@H]1C[C@H](NCc2noc3c2C[NH2+]CC3)C[NH2+]1 ZINC001246136682 825639091 /nfs/dbraw/zinc/63/90/91/825639091.db2.gz VSWDMISUZBYIJN-WPRPVWTQSA-N 2 2 280.328 -0.687 20 0 CBADLP F[C@@]1(C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CCC[NH2+]C1 ZINC001246180149 825645532 /nfs/dbraw/zinc/64/55/32/825645532.db2.gz PZQIJEBNDSWYIC-NEPJUHHUSA-N 3 2 256.369 -0.238 20 0 CBADLP C[C@H]([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)[C@H]1C[NH2+]CCO1 ZINC001246295566 825660152 /nfs/dbraw/zinc/66/01/52/825660152.db2.gz PCXSNJCKPFSNLD-QJPTWQEYSA-N 3 2 254.378 -0.953 20 0 CBADLP C[C@@H]1CC[C@H]([NH2+]CCOCCOCCOCC[NH3+])C[NH2+]1 ZINC001246288104 825660243 /nfs/dbraw/zinc/66/02/43/825660243.db2.gz LLEFHPYYMATPJR-KGLIPLIRSA-N 3 2 289.420 -0.275 20 0 CBADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2C[NH2+]C[C@H]2CO)C1 ZINC001246297113 825660275 /nfs/dbraw/zinc/66/02/75/825660275.db2.gz DOVRKTRZSVGIOZ-RHYQMDGZSA-N 2 2 256.346 -0.112 20 0 CBADLP C[C@H]([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)[C@H]1C[NH2+]CCO1 ZINC001246295568 825660454 /nfs/dbraw/zinc/66/04/54/825660454.db2.gz PCXSNJCKPFSNLD-SDDRHHMPSA-N 3 2 254.378 -0.953 20 0 CBADLP O=S1(=O)CCN(CC[NH2+][C@H]2CCC[NH2+]C2)CC1 ZINC001246338054 825666959 /nfs/dbraw/zinc/66/69/59/825666959.db2.gz ZVMYFDKIXKKDQL-NSHDSACASA-N 2 2 261.391 -0.942 20 0 CBADLP COC(=O)[C@@H]1C[C@H](N(C2COC2)[C@H]2CC[C@H]([NH3+])CC2)C[NH2+]1 ZINC001246362904 825668657 /nfs/dbraw/zinc/66/86/57/825668657.db2.gz RIROMMBQOLHQHR-MNXVOIDGSA-N 2 2 297.399 -0.139 20 0 CBADLP COC(=O)CC[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)C(N)=O ZINC001246388365 825670574 /nfs/dbraw/zinc/67/05/74/825670574.db2.gz HSQRIPFTJQASIS-BBBLOLIVSA-N 2 2 257.334 -0.476 20 0 CBADLP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCC[NH2+]CCC[NH3+])CN1 ZINC001246450792 825673708 /nfs/dbraw/zinc/67/37/08/825673708.db2.gz DDWKCSUMURBMFB-OLZOCXBDSA-N 3 2 286.420 -0.412 20 0 CBADLP COC(=O)[C@H]([NH3+])Cc1cn([C@@H]2CCC[NH2+]C2)cn1 ZINC001246523964 825679830 /nfs/dbraw/zinc/67/98/30/825679830.db2.gz NWSDEMADTBPYKJ-GHMZBOCLSA-N 2 2 252.318 -0.150 20 0 CBADLP CCOC(=O)c1cn([C@H]2CC[NH2+]C3(CNC3)C2)nc1C[NH3+] ZINC001246534312 825681248 /nfs/dbraw/zinc/68/12/48/825681248.db2.gz XHGBLZLGFGBOJO-JTQLQIEISA-N 2 2 293.371 -0.215 20 0 CBADLP CC[C@]1(C(=O)OC)C[C@@H](N2CCC[C@@](O)(C[NH3+])CC2)C[NH2+]1 ZINC001246556445 825684189 /nfs/dbraw/zinc/68/41/89/825684189.db2.gz ZYWUUDSYMPUJAO-VHDGCEQUSA-N 2 2 299.415 -0.154 20 0 CBADLP [NH3+]C[C@@]1(O)CCCC[N@@H+]([C@@H]2CCS(=O)(=O)C2)C1 ZINC001246559030 825686323 /nfs/dbraw/zinc/68/63/23/825686323.db2.gz NADSXQLPGGSIOW-MNOVXSKESA-N 2 2 262.375 -0.651 20 0 CBADLP [NH3+]C[C@@]1(O)CCCC[N@H+]([C@@H]2CCS(=O)(=O)C2)C1 ZINC001246559030 825686325 /nfs/dbraw/zinc/68/63/25/825686325.db2.gz NADSXQLPGGSIOW-MNOVXSKESA-N 2 2 262.375 -0.651 20 0 CBADLP COC(=O)[C@@H]1C[C@H]([N@@H+]2C[C@H](C[NH3+])CC[C@H]2C)CN1 ZINC001246588937 825692397 /nfs/dbraw/zinc/69/23/97/825692397.db2.gz BRVWOZJQXMVRCC-RHYQMDGZSA-N 2 2 255.362 -0.051 20 0 CBADLP COC(=O)[C@@H]1C[C@H]([N@H+]2C[C@H](C[NH3+])CC[C@H]2C)CN1 ZINC001246588937 825692401 /nfs/dbraw/zinc/69/24/01/825692401.db2.gz BRVWOZJQXMVRCC-RHYQMDGZSA-N 2 2 255.362 -0.051 20 0 CBADLP COC(=O)[C@@H]1CC[C@@H](N2CC[NH2+]C3(CC[NH2+]CC3)C2)CN1 ZINC001246593698 825692849 /nfs/dbraw/zinc/69/28/49/825692849.db2.gz HOHWNAQXZSJOAY-OLZOCXBDSA-N 2 2 296.415 -0.693 20 0 CBADLP COC(=O)[C@@H]1C[C@H]([N@@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)CCN1 ZINC001246618579 825695218 /nfs/dbraw/zinc/69/52/18/825695218.db2.gz MSYJWBRQSMRGGT-RFGFWPKPSA-N 2 2 296.415 -0.694 20 0 CBADLP COC(=O)[C@@H]1C[C@H]([N@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)CCN1 ZINC001246618579 825695222 /nfs/dbraw/zinc/69/52/22/825695222.db2.gz MSYJWBRQSMRGGT-RFGFWPKPSA-N 2 2 296.415 -0.694 20 0 CBADLP C[C@@H]1C[C@@H]([N@@H+]2CC3(C[NH2+]C3)[C@]3(CCNC3=O)C2)CC[NH2+]1 ZINC001246623123 825696958 /nfs/dbraw/zinc/69/69/58/825696958.db2.gz BEEFLXBDUYESSU-TYNCELHUSA-N 3 2 278.400 -0.462 20 0 CBADLP C[C@@H]1C[C@@H]([N@H+]2CC3(C[NH2+]C3)[C@]3(CCNC3=O)C2)CC[NH2+]1 ZINC001246623123 825696960 /nfs/dbraw/zinc/69/69/60/825696960.db2.gz BEEFLXBDUYESSU-TYNCELHUSA-N 3 2 278.400 -0.462 20 0 CBADLP CC[C@]1(C(=O)OC)C[C@H](N2CC[NH2+]C[C@@]23CC[NH2+]C3)C[NH2+]1 ZINC001246627301 825697793 /nfs/dbraw/zinc/69/77/93/825697793.db2.gz JBBYPAIEKBVSAM-AEGPPILISA-N 3 2 296.415 -0.693 20 0 CBADLP CC[C@]1(C(=O)OC)C[C@H](N2CCNC[C@@]23CC[NH2+]C3)C[NH2+]1 ZINC001246627301 825697796 /nfs/dbraw/zinc/69/77/96/825697796.db2.gz JBBYPAIEKBVSAM-AEGPPILISA-N 2 2 296.415 -0.693 20 0 CBADLP CS(=O)(=O)N1CCC([N@@H+]2CC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC001246634780 825699709 /nfs/dbraw/zinc/69/97/09/825699709.db2.gz PJFYZFZPTFDAAQ-NWDGAFQWSA-N 2 2 273.402 -0.153 20 0 CBADLP CS(=O)(=O)N1CCC([N@H+]2CC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC001246634780 825699711 /nfs/dbraw/zinc/69/97/11/825699711.db2.gz PJFYZFZPTFDAAQ-NWDGAFQWSA-N 2 2 273.402 -0.153 20 0 CBADLP C1[NH2+]CC12C[C@H]([N@@H+]1CC[C@H]3[NH2+]CC[C@@H]3C1)CCN2 ZINC001246661499 825703445 /nfs/dbraw/zinc/70/34/45/825703445.db2.gz RHEOVAXQFVXSQG-JHJVBQTASA-N 3 2 250.390 -0.236 20 0 CBADLP C1[NH2+]CC12C[C@H]([N@H+]1CC[C@H]3[NH2+]CC[C@@H]3C1)CCN2 ZINC001246661499 825703452 /nfs/dbraw/zinc/70/34/52/825703452.db2.gz RHEOVAXQFVXSQG-JHJVBQTASA-N 3 2 250.390 -0.236 20 0 CBADLP COC(=O)[C@@H]1C[C@@H]([N@@H+]2CC[C@H]3C[C@@]3([NH3+])C2)CCN1 ZINC001246653601 825703731 /nfs/dbraw/zinc/70/37/31/825703731.db2.gz IJEYDKGHBAULCT-MRBYEJRBSA-N 2 2 253.346 -0.297 20 0 CBADLP COC(=O)[C@@H]1C[C@@H]([N@H+]2CC[C@H]3C[C@@]3([NH3+])C2)CCN1 ZINC001246653601 825703736 /nfs/dbraw/zinc/70/37/36/825703736.db2.gz IJEYDKGHBAULCT-MRBYEJRBSA-N 2 2 253.346 -0.297 20 0 CBADLP CCO[C@@H]1C[C@H]2CN([C@@H]3C[NH2+][C@H](C(=O)OC)C3)CC[N@@H+]2C1 ZINC001246750480 825708959 /nfs/dbraw/zinc/70/89/59/825708959.db2.gz XXIAHCGPGXQDGR-FQUUOJAGSA-N 2 2 297.399 -0.315 20 0 CBADLP CCO[C@@H]1C[C@H]2CN([C@@H]3C[NH2+][C@H](C(=O)OC)C3)CC[N@H+]2C1 ZINC001246750480 825708963 /nfs/dbraw/zinc/70/89/63/825708963.db2.gz XXIAHCGPGXQDGR-FQUUOJAGSA-N 2 2 297.399 -0.315 20 0 CBADLP C([C@@H]1CCCO1)[NH+]1CCN([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246778669 825710821 /nfs/dbraw/zinc/71/08/21/825710821.db2.gz WPTVDTJGYDYYJJ-GJZGRUSLSA-N 2 2 294.443 -0.123 20 0 CBADLP COC(=O)[C@@H]1CC[C@H]([N@@H+]2CCCC3(C[NH2+]C3)C2)CN1 ZINC001246794207 825712216 /nfs/dbraw/zinc/71/22/16/825712216.db2.gz ZFTAIQUJQSYBRF-RYUDHWBXSA-N 2 2 267.373 -0.035 20 0 CBADLP COC(=O)[C@@H]1CC[C@H]([N@H+]2CCCC3(C[NH2+]C3)C2)CN1 ZINC001246794207 825712217 /nfs/dbraw/zinc/71/22/17/825712217.db2.gz ZFTAIQUJQSYBRF-RYUDHWBXSA-N 2 2 267.373 -0.035 20 0 CBADLP C[NH2+]C1CC[NH+]([C@H]2CC[C@@H](C(=O)OC)NC2)CC1 ZINC001246804870 825713283 /nfs/dbraw/zinc/71/32/83/825713283.db2.gz HYHTXGOWIPUEDE-RYUDHWBXSA-N 2 2 255.362 -0.036 20 0 CBADLP C1[NH2+]CC12C[C@H]([N@H+](C1COC1)C1CC[NH2+]CC1)CCN2 ZINC001246842113 825720937 /nfs/dbraw/zinc/72/09/37/825720937.db2.gz AWECKNYEHUHYSD-CYBMUJFWSA-N 3 2 280.416 -0.467 20 0 CBADLP C1[NH2+]CC12C[C@H]([N@@H+](C1COC1)C1CC[NH2+]CC1)CCN2 ZINC001246842113 825720940 /nfs/dbraw/zinc/72/09/40/825720940.db2.gz AWECKNYEHUHYSD-CYBMUJFWSA-N 3 2 280.416 -0.467 20 0 CBADLP C[C@H](CC(=O)N1CCOCC1)[N@@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001246873358 825727663 /nfs/dbraw/zinc/72/76/63/825727663.db2.gz UXJYLTIZGFPPJD-MDZLAQPJSA-N 2 2 253.346 -0.343 20 0 CBADLP C[C@H](CC(=O)N1CCOCC1)[N@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001246873358 825727669 /nfs/dbraw/zinc/72/76/69/825727669.db2.gz UXJYLTIZGFPPJD-MDZLAQPJSA-N 2 2 253.346 -0.343 20 0 CBADLP COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246910847 825730059 /nfs/dbraw/zinc/73/00/59/825730059.db2.gz MJTDSYXVWTYTCL-SRVKXCTJSA-N 2 2 283.372 -0.120 20 0 CBADLP COC(=O)CNC(=O)[C@@H]1CCC[N@H+]1[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246910847 825730065 /nfs/dbraw/zinc/73/00/65/825730065.db2.gz MJTDSYXVWTYTCL-SRVKXCTJSA-N 2 2 283.372 -0.120 20 0 CBADLP CCOC(=O)CN1CCC([N@@H+]2C[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001246916476 825731076 /nfs/dbraw/zinc/73/10/76/825731076.db2.gz HTLDZHFJYWQXPJ-DGCLKSJQSA-N 2 2 267.373 -0.083 20 0 CBADLP CCOC(=O)CN1CCC([N@H+]2C[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001246916476 825731077 /nfs/dbraw/zinc/73/10/77/825731077.db2.gz HTLDZHFJYWQXPJ-DGCLKSJQSA-N 2 2 267.373 -0.083 20 0 CBADLP CCOC(=O)C[NH+]1CCC(N2C[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001246916476 825731080 /nfs/dbraw/zinc/73/10/80/825731080.db2.gz HTLDZHFJYWQXPJ-DGCLKSJQSA-N 2 2 267.373 -0.083 20 0 CBADLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC001246955743 825736046 /nfs/dbraw/zinc/73/60/46/825736046.db2.gz URBRTQQYVAEYAY-GFCCVEGCSA-N 3 2 268.405 -0.119 20 0 CBADLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 ZINC001246955743 825736050 /nfs/dbraw/zinc/73/60/50/825736050.db2.gz URBRTQQYVAEYAY-GFCCVEGCSA-N 3 2 268.405 -0.119 20 0 CBADLP COC(=O)[C@@H]1C[C@H](N2CC[NH+](CCC(C)(C)O)CC2)C[NH2+]1 ZINC001246942469 825736258 /nfs/dbraw/zinc/73/62/58/825736258.db2.gz OTVSDYWGDPIZAN-STQMWFEESA-N 2 2 299.415 -0.332 20 0 CBADLP CC[N@@H+]1CCN([C@@H]2C[NH2+][C@H](C(=O)OC)C2)C[C@H]1C ZINC001247003999 825743163 /nfs/dbraw/zinc/74/31/63/825743163.db2.gz XYCXXZNTZDYOGO-WOPDTQHZSA-N 2 2 255.362 -0.084 20 0 CBADLP CC[N@H+]1CCN([C@@H]2C[NH2+][C@H](C(=O)OC)C2)C[C@H]1C ZINC001247003999 825743169 /nfs/dbraw/zinc/74/31/69/825743169.db2.gz XYCXXZNTZDYOGO-WOPDTQHZSA-N 2 2 255.362 -0.084 20 0 CBADLP C[NH+](C)CCn1cc(NC[C@H](O)C[NH+]2CCOCC2)cn1 ZINC001251001265 825757136 /nfs/dbraw/zinc/75/71/36/825757136.db2.gz GGLYWYFEJIPIEE-AWEZNQCLSA-N 2 2 297.403 -0.450 20 0 CBADLP O[C@H](CN1CC[N@@H+]2CC[C@H]2C1)C[NH+]1CCOCC1 ZINC001251023730 825764673 /nfs/dbraw/zinc/76/46/73/825764673.db2.gz NOLULHMLPOOWLU-STQMWFEESA-N 2 2 255.362 -0.931 20 0 CBADLP O[C@H](CN1CC[N@H+]2CC[C@H]2C1)C[NH+]1CCOCC1 ZINC001251023730 825764676 /nfs/dbraw/zinc/76/46/76/825764676.db2.gz NOLULHMLPOOWLU-STQMWFEESA-N 2 2 255.362 -0.931 20 0 CBADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](C[C@H](O)CN1CCOCC1)C2 ZINC001251021409 825764816 /nfs/dbraw/zinc/76/48/16/825764816.db2.gz KMNJRASXHPJFRW-RBSFLKMASA-N 2 2 283.416 -0.437 20 0 CBADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](C[C@H](O)CN1CCOCC1)C2 ZINC001251021409 825764821 /nfs/dbraw/zinc/76/48/21/825764821.db2.gz KMNJRASXHPJFRW-RBSFLKMASA-N 2 2 283.416 -0.437 20 0 CBADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC001253180770 825902150 /nfs/dbraw/zinc/90/21/50/825902150.db2.gz JCXSRTAXHHFHFA-AGIUHOORSA-N 2 2 260.378 -0.636 20 0 CBADLP CC[NH+](CC)C[C@H](O)C[N@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC001253180770 825902155 /nfs/dbraw/zinc/90/21/55/825902155.db2.gz JCXSRTAXHHFHFA-AGIUHOORSA-N 2 2 260.378 -0.636 20 0 CBADLP CC[NH+](CC)C[C@@H](O)CN1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC001253181908 825902316 /nfs/dbraw/zinc/90/23/16/825902316.db2.gz ISSDEEFRXKLKMR-MCIONIFRSA-N 2 2 271.405 -0.296 20 0 CBADLP CC[NH+](CC)C[C@@H](O)CN1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC001253181908 825902317 /nfs/dbraw/zinc/90/23/17/825902317.db2.gz ISSDEEFRXKLKMR-MCIONIFRSA-N 2 2 271.405 -0.296 20 0 CBADLP CC[NH+](CC)C[C@H](O)C[N@H+]1CCc2nncn2CC1 ZINC001253183353 825902924 /nfs/dbraw/zinc/90/29/24/825902924.db2.gz YFVZBLMIAPOCHM-LBPRGKRZSA-N 2 2 267.377 -0.161 20 0 CBADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1CCc2nncn2CC1 ZINC001253183353 825902927 /nfs/dbraw/zinc/90/29/27/825902927.db2.gz YFVZBLMIAPOCHM-LBPRGKRZSA-N 2 2 267.377 -0.161 20 0 CBADLP CC[NH+](CC)C[C@H](O)C[NH2+][C@H]1CCCCNC1=O ZINC001253202393 825904549 /nfs/dbraw/zinc/90/45/49/825904549.db2.gz IDFOIXFESIGKCM-NEPJUHHUSA-N 2 2 257.378 -0.053 20 0 CBADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC001253390421 825912494 /nfs/dbraw/zinc/91/24/94/825912494.db2.gz SSAYUHWUOYJIMU-TUAOUCFPSA-N 2 2 260.378 -0.590 20 0 CBADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC001253390421 825912495 /nfs/dbraw/zinc/91/24/95/825912495.db2.gz SSAYUHWUOYJIMU-TUAOUCFPSA-N 2 2 260.378 -0.590 20 0 CBADLP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]CCN1CC[C@@H](O)C1 ZINC001253406144 825914278 /nfs/dbraw/zinc/91/42/78/825914278.db2.gz ALHSFIUHJYTGPU-NEPJUHHUSA-N 2 2 259.394 -0.608 20 0 CBADLP CC(C)[C@H](O)C[NH+]1CCN(CC[NH+]2CCOCC2)CC1 ZINC001253759678 825929826 /nfs/dbraw/zinc/92/98/26/825929826.db2.gz FVABUUIPBQYMRL-OAHLLOKOSA-N 2 2 285.432 -0.047 20 0 CBADLP CC(C)(C)[C@H](O)C[NH2+][C@@H](Cc1c[nH+]c[nH]1)C(N)=O ZINC001253748453 825929898 /nfs/dbraw/zinc/92/98/98/825929898.db2.gz HGHWCDMDMPBOMY-VHSXEESVSA-N 2 2 254.334 -0.197 20 0 CBADLP CCOC(=O)C[C@H](O)CNC(=[NH2+])N1CC[NH+](C)CC1 ZINC001253807575 825932201 /nfs/dbraw/zinc/93/22/01/825932201.db2.gz DBHSURDXLNTGGR-JTQLQIEISA-N 2 2 272.349 -0.928 20 0 CBADLP C[NH+](C)CCN(CC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001254334869 825954755 /nfs/dbraw/zinc/95/47/55/825954755.db2.gz DFWKIUNNAKPSQY-GFCCVEGCSA-N 2 2 277.434 -0.401 20 0 CBADLP CCOC(=O)CN1CCC([N@@H+]2CCO[C@@H](C[NH3+])C2)CC1 ZINC001254394886 825959671 /nfs/dbraw/zinc/95/96/71/825959671.db2.gz VLKRMJOSCDMUTM-ZDUSSCGKSA-N 2 2 285.388 -0.327 20 0 CBADLP CCOC(=O)CN1CCC([N@H+]2CCO[C@@H](C[NH3+])C2)CC1 ZINC001254394886 825959679 /nfs/dbraw/zinc/95/96/79/825959679.db2.gz VLKRMJOSCDMUTM-ZDUSSCGKSA-N 2 2 285.388 -0.327 20 0 CBADLP COC(=O)[C@H]([NH3+])Cc1cn([C@H]2CC[N@H+](C)C2)cn1 ZINC001255425311 825983243 /nfs/dbraw/zinc/98/32/43/825983243.db2.gz CXRKYCHLWAZZHC-WDEREUQCSA-N 2 2 252.318 -0.198 20 0 CBADLP COC(=O)[C@H]([NH3+])Cc1cn([C@H]2CC[N@@H+](C)C2)cn1 ZINC001255425311 825983245 /nfs/dbraw/zinc/98/32/45/825983245.db2.gz CXRKYCHLWAZZHC-WDEREUQCSA-N 2 2 252.318 -0.198 20 0 CBADLP COC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])N[C@@H]1CCC[N@@H+](C)C1 ZINC001255471386 825983908 /nfs/dbraw/zinc/98/39/08/825983908.db2.gz ZARLRSOGYUYTSK-MNOVXSKESA-N 3 2 285.392 -0.525 20 0 CBADLP COC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])N[C@@H]1CCC[N@H+](C)C1 ZINC001255471386 825983907 /nfs/dbraw/zinc/98/39/07/825983907.db2.gz ZARLRSOGYUYTSK-MNOVXSKESA-N 3 2 285.392 -0.525 20 0 CBADLP C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]C[C@H](O)C[NH3+] ZINC001255796938 825992938 /nfs/dbraw/zinc/99/29/38/825992938.db2.gz JKGGWAANWWJMRD-WDEREUQCSA-N 2 2 272.370 -0.242 20 0 CBADLP CC[NH+](CC)CC[C@@H](C)[NH2+]CC(=O)NCC(N)=O ZINC001255955183 825996437 /nfs/dbraw/zinc/99/64/37/825996437.db2.gz PUWMFMNTKQLOMJ-SNVBAGLBSA-N 2 2 258.366 -0.702 20 0 CBADLP COC(=O)CNC(=O)[C@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001256071606 826001269 /nfs/dbraw/zinc/00/12/69/826001269.db2.gz GQGVSCUNEHEHFU-JTQLQIEISA-N 2 2 283.372 -0.120 20 0 CBADLP CCOC(=O)CNC(=O)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001256067076 826001556 /nfs/dbraw/zinc/00/15/56/826001556.db2.gz CFPJYIAPACDNEU-UHFFFAOYSA-N 2 2 283.372 -0.118 20 0 CBADLP C[C@@H](CC(=O)N1CCOCC1)[N@@H+]1CCO[C@@H](C[NH3+])C1 ZINC001256321374 826010025 /nfs/dbraw/zinc/01/00/25/826010025.db2.gz JTTFANUEYXFCGV-RYUDHWBXSA-N 2 2 271.361 -0.717 20 0 CBADLP C[C@@H](CC(=O)N1CCOCC1)[N@H+]1CCO[C@@H](C[NH3+])C1 ZINC001256321374 826010028 /nfs/dbraw/zinc/01/00/28/826010028.db2.gz JTTFANUEYXFCGV-RYUDHWBXSA-N 2 2 271.361 -0.717 20 0 CBADLP [NH3+]C[C@@]1([NH2+]C2CCS(=O)(=O)CC2)CN2CCC1CC2 ZINC001256379757 826019664 /nfs/dbraw/zinc/01/96/64/826019664.db2.gz BTXMCJUXMMKTBK-CYBMUJFWSA-N 2 2 287.429 -0.424 20 0 CBADLP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NCCn2cc[nH+]c2)C1 ZINC001256767880 826032333 /nfs/dbraw/zinc/03/23/33/826032333.db2.gz KWQOCUACWWRULU-LBPRGKRZSA-N 2 2 293.371 -0.591 20 0 CBADLP CC(C)C[NH+]1CCC([NH2+][C@@H](CC(N)=O)C(N)=O)CC1 ZINC001258007799 826055454 /nfs/dbraw/zinc/05/54/54/826055454.db2.gz TXOUPKOEQNQQRB-NSHDSACASA-N 2 2 270.377 -0.574 20 0 CBADLP COCCOC[C@H](O)C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC001261436631 826512632 /nfs/dbraw/zinc/51/26/32/826512632.db2.gz GZHULZZXRKQDMK-NWDGAFQWSA-N 2 2 269.345 -0.189 20 0 CBADLP C[NH+]1CCN(C[C@H](O)C[NH2+]CCCn2cc[nH+]c2)CC1 ZINC001261436282 826512974 /nfs/dbraw/zinc/51/29/74/826512974.db2.gz WUANDXWIBQDWSM-CQSZACIVSA-N 3 2 281.404 -0.529 20 0 CBADLP NC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC001261501604 826528149 /nfs/dbraw/zinc/52/81/49/826528149.db2.gz GXVNWCYVZIFWBS-QWRGUYRKSA-N 2 2 268.361 -0.806 20 0 CBADLP NC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC001261501604 826528154 /nfs/dbraw/zinc/52/81/54/826528154.db2.gz GXVNWCYVZIFWBS-QWRGUYRKSA-N 2 2 268.361 -0.806 20 0 CBADLP C[C@@H](CNC(=O)C[C@H]1CC[NH2+]C1)[NH+]1CCN(C)CC1 ZINC001261643272 826553379 /nfs/dbraw/zinc/55/33/79/826553379.db2.gz MSVVBALHGUDXPM-QWHCGFSZSA-N 2 2 268.405 -0.262 20 0 CBADLP C[C@H]([NH3+])CCNC(=O)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001262034742 826626964 /nfs/dbraw/zinc/62/69/64/826626964.db2.gz MESNXHWWDWCUKK-JTQLQIEISA-N 2 2 293.371 -0.031 20 0 CBADLP C[C@H]([NH3+])CCNC(=O)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC001262034742 826626966 /nfs/dbraw/zinc/62/69/66/826626966.db2.gz MESNXHWWDWCUKK-JTQLQIEISA-N 2 2 293.371 -0.031 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCN1C(=O)N[C@H](C[NH+](C)C)C1=O ZINC001262199651 826659419 /nfs/dbraw/zinc/65/94/19/826659419.db2.gz VHJCTCLPJFQAQP-WDEREUQCSA-N 2 2 284.360 -0.811 20 0 CBADLP C[C@H]1COCC[N@H+]1CCN1C(=O)N[C@H](C[NH+](C)C)C1=O ZINC001262199651 826659424 /nfs/dbraw/zinc/65/94/24/826659424.db2.gz VHJCTCLPJFQAQP-WDEREUQCSA-N 2 2 284.360 -0.811 20 0 CBADLP C[C@@H](CC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)[NH+](C)C ZINC001262565536 826709771 /nfs/dbraw/zinc/70/97/71/826709771.db2.gz OGCFPJWNXMIUIS-UONOGXRCSA-N 3 2 272.437 -0.476 20 0 CBADLP CCO[C@@H]1CN(C(=O)C[C@H]([NH3+])C(F)F)C[C@H]1C[NH3+] ZINC001263150205 826744095 /nfs/dbraw/zinc/74/40/95/826744095.db2.gz UDZRKOFTNAKFKS-HRDYMLBCSA-N 2 2 265.304 -0.209 20 0 CBADLP Cc1cc(C[NH3+])oc1C(=O)N1CC[NH2+]C[C@@H]1CO ZINC001263180769 826751011 /nfs/dbraw/zinc/75/10/11/826751011.db2.gz URWPGQAKCKWGQW-SECBINFHSA-N 2 2 253.302 -0.547 20 0 CBADLP C[N@H+](CCO)CCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001265004115 826830183 /nfs/dbraw/zinc/83/01/83/826830183.db2.gz JEQHXXLGIJZNAM-GFCCVEGCSA-N 2 2 280.372 -0.124 20 0 CBADLP C[N@@H+](CCO)CCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001265004115 826830197 /nfs/dbraw/zinc/83/01/97/826830197.db2.gz JEQHXXLGIJZNAM-GFCCVEGCSA-N 2 2 280.372 -0.124 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NCCC[N@@H+](C)CC(=O)N(C)C ZINC001265068464 826840768 /nfs/dbraw/zinc/84/07/68/826840768.db2.gz LDUWKKHBTHRWOH-UHFFFAOYSA-N 2 2 295.387 -0.282 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NCCC[N@H+](C)CC(=O)N(C)C ZINC001265068464 826840778 /nfs/dbraw/zinc/84/07/78/826840778.db2.gz LDUWKKHBTHRWOH-UHFFFAOYSA-N 2 2 295.387 -0.282 20 0 CBADLP CC[N@H+](CCCNC(=O)Cc1c[nH]c[nH+]1)[C@@H]1CCNC1=O ZINC001266089153 826952534 /nfs/dbraw/zinc/95/25/34/826952534.db2.gz ANAVCWNWLSHZFY-GFCCVEGCSA-N 2 2 293.371 -0.331 20 0 CBADLP CC[N@@H+](CCCNC(=O)Cc1c[nH]c[nH+]1)[C@@H]1CCNC1=O ZINC001266089153 826952539 /nfs/dbraw/zinc/95/25/39/826952539.db2.gz ANAVCWNWLSHZFY-GFCCVEGCSA-N 2 2 293.371 -0.331 20 0 CBADLP CC[N@H+](CCNC(=O)Cc1[nH]cc[nH+]1)C[C@@H](C)O ZINC001266425651 826999360 /nfs/dbraw/zinc/99/93/60/826999360.db2.gz XVABIKFFPRSECM-SNVBAGLBSA-N 2 2 254.334 -0.229 20 0 CBADLP CC[N@@H+](CCNC(=O)Cc1[nH]cc[nH+]1)C[C@@H](C)O ZINC001266425651 826999363 /nfs/dbraw/zinc/99/93/63/826999363.db2.gz XVABIKFFPRSECM-SNVBAGLBSA-N 2 2 254.334 -0.229 20 0 CBADLP C[C@H](O)C[NH2+]CCN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001266749413 827063144 /nfs/dbraw/zinc/06/31/44/827063144.db2.gz SNWNEAAJJDILPY-NWDGAFQWSA-N 2 2 280.372 -0.126 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)[NH2+]CCCO ZINC001266947937 827094704 /nfs/dbraw/zinc/09/47/04/827094704.db2.gz FFUFPSUNOMHPFM-RYUDHWBXSA-N 2 2 280.372 -0.078 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)N(C)CC[NH2+]Cc2cnon2)C1 ZINC001267105650 827114163 /nfs/dbraw/zinc/11/41/63/827114163.db2.gz IYFOJJVZJHYCDI-GFCCVEGCSA-N 2 2 297.359 -0.662 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)N(C)CC[NH2+]Cc2cnon2)C1 ZINC001267105650 827114166 /nfs/dbraw/zinc/11/41/66/827114166.db2.gz IYFOJJVZJHYCDI-GFCCVEGCSA-N 2 2 297.359 -0.662 20 0 CBADLP C[C@H](O)C[N@H+](C)CCNC(=O)CCn1cc[nH+]c1 ZINC001267209041 827127639 /nfs/dbraw/zinc/12/76/39/827127639.db2.gz HIFXEWPEXHFNCP-NSHDSACASA-N 2 2 254.334 -0.298 20 0 CBADLP C[C@H](O)C[N@@H+](C)CCNC(=O)CCn1cc[nH+]c1 ZINC001267209041 827127643 /nfs/dbraw/zinc/12/76/43/827127643.db2.gz HIFXEWPEXHFNCP-NSHDSACASA-N 2 2 254.334 -0.298 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC[C@H]1CCC[N@@H+]1CCO ZINC001267279930 827142565 /nfs/dbraw/zinc/14/25/65/827142565.db2.gz NULDIQNCEFPUHT-LLVKDONJSA-N 2 2 266.345 -0.465 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC[C@H]1CCC[N@H+]1CCO ZINC001267279930 827142571 /nfs/dbraw/zinc/14/25/71/827142571.db2.gz NULDIQNCEFPUHT-LLVKDONJSA-N 2 2 266.345 -0.465 20 0 CBADLP C[C@H](O)C[NH2+]CCN(C)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC001267441039 827171414 /nfs/dbraw/zinc/17/14/14/827171414.db2.gz JDBAXEJVFWDXIL-LBPRGKRZSA-N 2 2 287.404 -0.474 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NCC1C[NH+](CCOCCO)C1 ZINC001267696494 827200750 /nfs/dbraw/zinc/20/07/50/827200750.db2.gz UERAKYHCHZFDNK-UHFFFAOYSA-N 2 2 296.371 -0.981 20 0 CBADLP CC[C@@H](C(=O)N(C)CC[N@@H+](C)CC(N)=O)[NH+](C)C ZINC001268252098 827272480 /nfs/dbraw/zinc/27/24/80/827272480.db2.gz UFUCUXBFUYPQNO-JTQLQIEISA-N 2 2 258.366 -0.798 20 0 CBADLP CC[C@@H](C(=O)N(C)CC[N@H+](C)CC(N)=O)[NH+](C)C ZINC001268252098 827272473 /nfs/dbraw/zinc/27/24/73/827272473.db2.gz UFUCUXBFUYPQNO-JTQLQIEISA-N 2 2 258.366 -0.798 20 0 CBADLP CC(C)[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001268308451 827291903 /nfs/dbraw/zinc/29/19/03/827291903.db2.gz MHOOHJSGGHMORA-GMTAPVOTSA-N 2 2 266.345 -0.012 20 0 CBADLP CC(C)[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001268308451 827291912 /nfs/dbraw/zinc/29/19/12/827291912.db2.gz MHOOHJSGGHMORA-GMTAPVOTSA-N 2 2 266.345 -0.012 20 0 CBADLP COCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001268315198 827295291 /nfs/dbraw/zinc/29/52/91/827295291.db2.gz MYZJOBXDWJZAOL-YPMHNXCESA-N 2 2 296.371 -0.841 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@H](O)C[NH2+]CCCF ZINC001268322478 827299757 /nfs/dbraw/zinc/29/97/57/827299757.db2.gz DZMKQEIVBQSKEB-JTQLQIEISA-N 2 2 258.297 -0.622 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](O)C[NH2+]CCF ZINC001268331773 827305579 /nfs/dbraw/zinc/30/55/79/827305579.db2.gz KLGAIOZSPXVTFC-VIFPVBQESA-N 2 2 258.297 -0.703 20 0 CBADLP CNC(=O)C[NH2+]CC[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001268420951 827324374 /nfs/dbraw/zinc/32/43/74/827324374.db2.gz LNWRKOFANRMDQQ-NSHDSACASA-N 2 2 295.387 -0.417 20 0 CBADLP Cn1cc(C[NH2+]C/C=C/CNC(=O)[C@H]2CCC[N@@H+]2C)nn1 ZINC001268520611 827352099 /nfs/dbraw/zinc/35/20/99/827352099.db2.gz DIJRQEPNRRLZOZ-ITDFMYJTSA-N 2 2 292.387 -0.329 20 0 CBADLP Cn1cc(C[NH2+]C/C=C/CNC(=O)[C@H]2CCC[N@H+]2C)nn1 ZINC001268520611 827352109 /nfs/dbraw/zinc/35/21/09/827352109.db2.gz DIJRQEPNRRLZOZ-ITDFMYJTSA-N 2 2 292.387 -0.329 20 0 CBADLP Cn1cc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CCC[N@@H+]2C)nn1 ZINC001268520613 827353584 /nfs/dbraw/zinc/35/35/84/827353584.db2.gz DIJRQEPNRRLZOZ-OOPCZODUSA-N 2 2 292.387 -0.329 20 0 CBADLP Cn1cc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CCC[N@H+]2C)nn1 ZINC001268520613 827353591 /nfs/dbraw/zinc/35/35/91/827353591.db2.gz DIJRQEPNRRLZOZ-OOPCZODUSA-N 2 2 292.387 -0.329 20 0 CBADLP C[C@@H](C[N@H+](C)[C@@H](C)C(N)=O)NC(=O)Cn1cc[nH+]c1 ZINC001268760723 827418740 /nfs/dbraw/zinc/41/87/40/827418740.db2.gz XFDZOIUPENMXFK-UWVGGRQHSA-N 2 2 267.333 -0.807 20 0 CBADLP C[C@@H](C[N@@H+](C)[C@@H](C)C(N)=O)NC(=O)Cn1cc[nH+]c1 ZINC001268760723 827418743 /nfs/dbraw/zinc/41/87/43/827418743.db2.gz XFDZOIUPENMXFK-UWVGGRQHSA-N 2 2 267.333 -0.807 20 0 CBADLP CN(CCC[NH2+]Cc1nnn(C)n1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001268784018 827421247 /nfs/dbraw/zinc/42/12/47/827421247.db2.gz PFOXJVBCZJPWFI-NSHDSACASA-N 2 2 295.391 -0.758 20 0 CBADLP CN(CCC[NH2+]Cc1nnn(C)n1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001268784018 827421251 /nfs/dbraw/zinc/42/12/51/827421251.db2.gz PFOXJVBCZJPWFI-NSHDSACASA-N 2 2 295.391 -0.758 20 0 CBADLP O=C(N[C@H](C[NH2+]CCO)C1CC1)[C@H]1CCc2[nH+]ccn2C1 ZINC001269084686 827461848 /nfs/dbraw/zinc/46/18/48/827461848.db2.gz MWJIGTVZRXFPQF-QWHCGFSZSA-N 2 2 292.383 -0.078 20 0 CBADLP C[NH+](C)CCCCC(=O)NC[C@@H]1CC[N@@H+]1[C@@H]1CCNC1=O ZINC001269330824 827494375 /nfs/dbraw/zinc/49/43/75/827494375.db2.gz FITFSJSTYAHORW-QWHCGFSZSA-N 2 2 296.415 -0.203 20 0 CBADLP C[NH+](C)CCCCC(=O)NC[C@@H]1CC[N@H+]1[C@@H]1CCNC1=O ZINC001269330824 827494378 /nfs/dbraw/zinc/49/43/78/827494378.db2.gz FITFSJSTYAHORW-QWHCGFSZSA-N 2 2 296.415 -0.203 20 0 CBADLP O=C(CCn1cc[nH+]c1)NCC1([NH2+]CCO)CC1 ZINC001269460847 827512022 /nfs/dbraw/zinc/51/20/22/827512022.db2.gz YTSPDDMTPXANFW-UHFFFAOYSA-N 2 2 252.318 -0.496 20 0 CBADLP CC[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@H](C)C(N)=O ZINC001269486254 827514568 /nfs/dbraw/zinc/51/45/68/827514568.db2.gz JGWUFTSQSQEJPX-RKDXNWHRSA-N 2 2 267.333 -0.690 20 0 CBADLP CC[C@H](CNC(=O)Cc1[nH]c[nH+]c1C)[NH2+]CCO ZINC001269498211 827515393 /nfs/dbraw/zinc/51/53/93/827515393.db2.gz PZPNKTPGRAKTHD-SNVBAGLBSA-N 2 2 254.334 -0.263 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N1CCC[C@@H]1C[NH2+]CCO ZINC001270159260 827551258 /nfs/dbraw/zinc/55/12/58/827551258.db2.gz PSURYHSMHNCFDX-SNVBAGLBSA-N 2 2 252.318 -0.475 20 0 CBADLP CCc1[nH+]ccn1CC(=O)N1C[C@@H]2C[N@@H+](C)C[C@H](C1)O2 ZINC001270202156 827554037 /nfs/dbraw/zinc/55/40/37/827554037.db2.gz JSPCULMCTSWPGY-TXEJJXNPSA-N 2 2 278.356 -0.013 20 0 CBADLP CCc1[nH+]ccn1CC(=O)N1C[C@@H]2C[N@H+](C)C[C@H](C1)O2 ZINC001270202156 827554041 /nfs/dbraw/zinc/55/40/41/827554041.db2.gz JSPCULMCTSWPGY-TXEJJXNPSA-N 2 2 278.356 -0.013 20 0 CBADLP C[N@@H+]1CCC2(CN(C(=O)[C@H](Cc3c[nH]c[nH+]3)NC=O)C2)C1 ZINC001270407047 827564742 /nfs/dbraw/zinc/56/47/42/827564742.db2.gz VWDLAVTYQBXRFE-LBPRGKRZSA-N 2 2 291.355 -0.769 20 0 CBADLP C[N@H+]1CCC2(CN(C(=O)[C@H](Cc3c[nH]c[nH+]3)NC=O)C2)C1 ZINC001270407047 827564745 /nfs/dbraw/zinc/56/47/45/827564745.db2.gz VWDLAVTYQBXRFE-LBPRGKRZSA-N 2 2 291.355 -0.769 20 0 CBADLP C[N@@H+]1CCC2(CN(C(=O)[C@H](Cc3c[nH+]c[nH]3)NC=O)C2)C1 ZINC001270407047 827564750 /nfs/dbraw/zinc/56/47/50/827564750.db2.gz VWDLAVTYQBXRFE-LBPRGKRZSA-N 2 2 291.355 -0.769 20 0 CBADLP C[N@H+]1CCC2(CN(C(=O)[C@H](Cc3c[nH+]c[nH]3)NC=O)C2)C1 ZINC001270407047 827564754 /nfs/dbraw/zinc/56/47/54/827564754.db2.gz VWDLAVTYQBXRFE-LBPRGKRZSA-N 2 2 291.355 -0.769 20 0 CBADLP C[C@@]1(NC(=O)Cn2cc[nH+]c2)CC[N@H+](CCO)C1 ZINC001270665171 827586862 /nfs/dbraw/zinc/58/68/62/827586862.db2.gz OFNKALVFVHATEO-GFCCVEGCSA-N 2 2 252.318 -0.544 20 0 CBADLP C[C@@]1(NC(=O)Cn2cc[nH+]c2)CC[N@@H+](CCO)C1 ZINC001270665171 827586865 /nfs/dbraw/zinc/58/68/65/827586865.db2.gz OFNKALVFVHATEO-GFCCVEGCSA-N 2 2 252.318 -0.544 20 0 CBADLP C[NH+]1CC2(C1)CCCN(C(=O)[C@H]1C[N@@H+](C)CCO1)C2 ZINC001270976598 827611096 /nfs/dbraw/zinc/61/10/96/827611096.db2.gz HALRQXSPCMMJNS-GFCCVEGCSA-N 2 2 267.373 -0.129 20 0 CBADLP C[NH+]1CC2(C1)CCCN(C(=O)[C@H]1C[N@H+](C)CCO1)C2 ZINC001270976598 827611093 /nfs/dbraw/zinc/61/10/93/827611093.db2.gz HALRQXSPCMMJNS-GFCCVEGCSA-N 2 2 267.373 -0.129 20 0 CBADLP C[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)[C@@H]1C[NH+](C)CCO1)C2 ZINC001270978028 827611916 /nfs/dbraw/zinc/61/19/16/827611916.db2.gz TUYLHMWWRNVHHB-TUAOUCFPSA-N 2 2 253.346 -0.378 20 0 CBADLP C[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)[C@@H]1C[NH+](C)CCO1)C2 ZINC001270978028 827611921 /nfs/dbraw/zinc/61/19/21/827611921.db2.gz TUYLHMWWRNVHHB-TUAOUCFPSA-N 2 2 253.346 -0.378 20 0 CBADLP C[NH+]1[C@@H]2CC[C@H]1CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C2 ZINC001270978028 827611925 /nfs/dbraw/zinc/61/19/25/827611925.db2.gz TUYLHMWWRNVHHB-TUAOUCFPSA-N 2 2 253.346 -0.378 20 0 CBADLP C[NH+]1[C@@H]2CC[C@H]1CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C2 ZINC001270978028 827611930 /nfs/dbraw/zinc/61/19/30/827611930.db2.gz TUYLHMWWRNVHHB-TUAOUCFPSA-N 2 2 253.346 -0.378 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NCC1([NH2+]CCCO)CCOCC1 ZINC001271072730 827620091 /nfs/dbraw/zinc/62/00/91/827620091.db2.gz KHECGLBABJIVFY-UHFFFAOYSA-N 2 2 296.371 -0.410 20 0 CBADLP CC[NH+]1CC(O)(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001271361102 827695697 /nfs/dbraw/zinc/69/56/97/827695697.db2.gz IXJANVTZZWORAH-UHFFFAOYSA-N 2 2 269.389 -0.099 20 0 CBADLP CC[C@H](C(=O)N(C)CC[N@H+](C)CC(N)=O)[NH+](C)C ZINC001272049759 827752505 /nfs/dbraw/zinc/75/25/05/827752505.db2.gz UFUCUXBFUYPQNO-SNVBAGLBSA-N 2 2 258.366 -0.798 20 0 CBADLP CC[C@H](C(=O)N(C)CC[N@@H+](C)CC(N)=O)[NH+](C)C ZINC001272049759 827752509 /nfs/dbraw/zinc/75/25/09/827752509.db2.gz UFUCUXBFUYPQNO-SNVBAGLBSA-N 2 2 258.366 -0.798 20 0 CBADLP CN(CC[N@H+](C)CCCO)C(=O)Cc1c[nH+]cn1C ZINC001272152335 827762293 /nfs/dbraw/zinc/76/22/93/827762293.db2.gz UHFKKCGWGBXOSB-UHFFFAOYSA-N 2 2 268.361 -0.265 20 0 CBADLP CN(CC[N@@H+](C)CCCO)C(=O)Cc1c[nH+]cn1C ZINC001272152335 827762298 /nfs/dbraw/zinc/76/22/98/827762298.db2.gz UHFKKCGWGBXOSB-UHFFFAOYSA-N 2 2 268.361 -0.265 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CCO ZINC001272322254 827780363 /nfs/dbraw/zinc/78/03/63/827780363.db2.gz JHLHUWDHZJIBHI-YPMHNXCESA-N 2 2 280.372 -0.171 20 0 CBADLP O=C(NC[C@@H](O)C[NH2+]CCO)c1cccc2[nH+]ccn21 ZINC001272469042 827804354 /nfs/dbraw/zinc/80/43/54/827804354.db2.gz COLLHLJUIHVXGL-JTQLQIEISA-N 2 2 278.312 -0.993 20 0 CBADLP C[C@H](CC[NH2+]CC(N)=O)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001272873116 827846272 /nfs/dbraw/zinc/84/62/72/827846272.db2.gz GQBOSCIWPSNYRY-MNOVXSKESA-N 2 2 293.371 -0.585 20 0 CBADLP C[C@@H](CC[NH2+]CCO)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001272872544 827846413 /nfs/dbraw/zinc/84/64/13/827846413.db2.gz BOBRJWDIJYOBLB-NWDGAFQWSA-N 2 2 280.372 -0.078 20 0 CBADLP C[NH+](C)CCN1C(=O)COCC12C[NH+](C[C@@H]1CCCO1)C2 ZINC001273071013 827859822 /nfs/dbraw/zinc/85/98/22/827859822.db2.gz DQQOZLFAAMSYFR-ZDUSSCGKSA-N 2 2 297.399 -0.360 20 0 CBADLP C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CC[C@H](O)C1 ZINC001273070669 827860803 /nfs/dbraw/zinc/86/08/03/827860803.db2.gz ZIZWOLLYNHEDNX-TUAOUCFPSA-N 2 2 253.346 -0.642 20 0 CBADLP C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CC[C@H](O)C1 ZINC001273070669 827860813 /nfs/dbraw/zinc/86/08/13/827860813.db2.gz ZIZWOLLYNHEDNX-TUAOUCFPSA-N 2 2 253.346 -0.642 20 0 CBADLP C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+]1CC[C@H](O)C1 ZINC001273070669 827860818 /nfs/dbraw/zinc/86/08/18/827860818.db2.gz ZIZWOLLYNHEDNX-TUAOUCFPSA-N 2 2 253.346 -0.642 20 0 CBADLP C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+]1CC[C@H](O)C1 ZINC001273070669 827860825 /nfs/dbraw/zinc/86/08/25/827860825.db2.gz ZIZWOLLYNHEDNX-TUAOUCFPSA-N 2 2 253.346 -0.642 20 0 CBADLP C[N@@H+]1CCO[C@]2(CCCN(C(=O)C[NH+]3CC[C@@H](O)C3)C2)C1 ZINC001273069987 827861975 /nfs/dbraw/zinc/86/19/75/827861975.db2.gz OVYZWRPFBFZIAE-UKRRQHHQSA-N 2 2 297.399 -0.624 20 0 CBADLP C[N@H+]1CCO[C@]2(CCCN(C(=O)C[NH+]3CC[C@@H](O)C3)C2)C1 ZINC001273069987 827861986 /nfs/dbraw/zinc/86/19/86/827861986.db2.gz OVYZWRPFBFZIAE-UKRRQHHQSA-N 2 2 297.399 -0.624 20 0 CBADLP C[NH+]1CCO[C@]2(CCCN(C(=O)C[N@@H+]3CC[C@@H](O)C3)C2)C1 ZINC001273069987 827861990 /nfs/dbraw/zinc/86/19/90/827861990.db2.gz OVYZWRPFBFZIAE-UKRRQHHQSA-N 2 2 297.399 -0.624 20 0 CBADLP C[NH+]1CCO[C@]2(CCCN(C(=O)C[N@H+]3CC[C@@H](O)C3)C2)C1 ZINC001273069987 827861997 /nfs/dbraw/zinc/86/19/97/827861997.db2.gz OVYZWRPFBFZIAE-UKRRQHHQSA-N 2 2 297.399 -0.624 20 0 CBADLP COCCC[NH+]1CC2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273472895 827903693 /nfs/dbraw/zinc/90/36/93/827903693.db2.gz AFHWKQGRQBCEOG-UHFFFAOYSA-N 2 2 285.388 -0.502 20 0 CBADLP Cn1c[nH+]cc1CN1C[C@]2(CC[N@H+](C)C2)OCC1=O ZINC001273524577 827908032 /nfs/dbraw/zinc/90/80/32/827908032.db2.gz BJLDKJFZAYYFPA-CYBMUJFWSA-N 2 2 264.329 -0.147 20 0 CBADLP Cn1c[nH+]cc1CN1C[C@]2(CC[N@@H+](C)C2)OCC1=O ZINC001273524577 827908043 /nfs/dbraw/zinc/90/80/43/827908043.db2.gz BJLDKJFZAYYFPA-CYBMUJFWSA-N 2 2 264.329 -0.147 20 0 CBADLP COC(C)(C)C[NH+]1CC2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273808989 827926899 /nfs/dbraw/zinc/92/68/99/827926899.db2.gz OASWMOJRJUEJGF-UHFFFAOYSA-N 2 2 299.415 -0.114 20 0 CBADLP CC(C)OCC[NH+]1CC2(C1)COCC(=O)N2CC[NH+](C)C ZINC001273853815 827931342 /nfs/dbraw/zinc/93/13/42/827931342.db2.gz VEZLXPJXFRDBLC-UHFFFAOYSA-N 2 2 299.415 -0.114 20 0 CBADLP CC(C)[C@H](O)C[NH+]1CC2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273895282 827939870 /nfs/dbraw/zinc/93/98/70/827939870.db2.gz PQUFMPPRLYZHOE-CYBMUJFWSA-N 2 2 299.415 -0.522 20 0 CBADLP COC(=O)CC[NH+]1CC2(C1)COCC(=O)N2CC[NH+](C)C ZINC001273965467 827947888 /nfs/dbraw/zinc/94/78/88/827947888.db2.gz ILJCSZSGWKHGCR-UHFFFAOYSA-N 2 2 299.371 -0.976 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC1(C[NH2+]CCO)CCOCC1 ZINC001274008738 827951039 /nfs/dbraw/zinc/95/10/39/827951039.db2.gz VONIIOBFHVIDHJ-UHFFFAOYSA-N 2 2 296.371 -0.790 20 0 CBADLP CC[C@@H](C(=O)NC/C=C\C[NH2+]Cc1ncnn1C)[NH+](C)C ZINC001274368002 827985615 /nfs/dbraw/zinc/98/56/15/827985615.db2.gz IOGGVANGSYGYEM-DGMVEKRQSA-N 2 2 294.403 -0.083 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]C/C=C\CNC(=O)Cc1c[nH+]cn1C ZINC001274499610 827994492 /nfs/dbraw/zinc/99/44/92/827994492.db2.gz WJWDCGZLKCDXIE-DOGVGXBMSA-N 2 2 293.371 -0.641 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CCC(O)(C[NH2+]CCF)CC1 ZINC001274566539 828000370 /nfs/dbraw/zinc/00/03/70/828000370.db2.gz VCJCUUNGXVJJFB-UHFFFAOYSA-N 2 2 284.335 -0.135 20 0 CBADLP CN(C)C(=O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC001275199616 828067569 /nfs/dbraw/zinc/06/75/69/828067569.db2.gz OVSKYZMMNJWOJW-YHWZYXNKSA-N 2 2 296.415 -0.252 20 0 CBADLP CN(C)C(=O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC001275199616 828067576 /nfs/dbraw/zinc/06/75/76/828067576.db2.gz OVSKYZMMNJWOJW-YHWZYXNKSA-N 2 2 296.415 -0.252 20 0 CBADLP CN(C)C(=O)C[NH+]1CC2(C1)CC[NH+](Cc1cn[nH]n1)CC2 ZINC001275226265 828071842 /nfs/dbraw/zinc/07/18/42/828071842.db2.gz SHWBZLYTKYMYIZ-UHFFFAOYSA-N 2 2 292.387 -0.209 20 0 CBADLP CN(C)C(=O)C[NH+]1CC2(C1)CC[NH+](Cc1c[nH]nn1)CC2 ZINC001275226265 828071852 /nfs/dbraw/zinc/07/18/52/828071852.db2.gz SHWBZLYTKYMYIZ-UHFFFAOYSA-N 2 2 292.387 -0.209 20 0 CBADLP CC[C@H](C(=O)N[C@@H](C)C[NH2+]CCS(C)(=O)=O)[NH+](C)C ZINC001275410487 828084649 /nfs/dbraw/zinc/08/46/49/828084649.db2.gz HEDYVYYTCMZRJN-WDEREUQCSA-N 2 2 293.433 -0.535 20 0 CBADLP C[C@H](O)C[N@H+](C)C[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001275698672 828108432 /nfs/dbraw/zinc/10/84/32/828108432.db2.gz SKBXDFBYGUFJPU-QWRGUYRKSA-N 2 2 268.361 -0.220 20 0 CBADLP C[C@H](O)C[N@@H+](C)C[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001275698672 828108436 /nfs/dbraw/zinc/10/84/36/828108436.db2.gz SKBXDFBYGUFJPU-QWRGUYRKSA-N 2 2 268.361 -0.220 20 0 CBADLP C[C@@H](O)C[N@H+](C)C[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001275698673 828108692 /nfs/dbraw/zinc/10/86/92/828108692.db2.gz SKBXDFBYGUFJPU-WDEREUQCSA-N 2 2 268.361 -0.220 20 0 CBADLP C[C@@H](O)C[N@@H+](C)C[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001275698673 828108695 /nfs/dbraw/zinc/10/86/95/828108695.db2.gz SKBXDFBYGUFJPU-WDEREUQCSA-N 2 2 268.361 -0.220 20 0 CBADLP Cn1nccc1C[N@H+]1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001276281766 828140492 /nfs/dbraw/zinc/14/04/92/828140492.db2.gz TYPWBTSIFNPQAK-CABCVRRESA-N 2 2 293.415 -0.133 20 0 CBADLP Cn1nccc1C[N@@H+]1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001276281766 828140495 /nfs/dbraw/zinc/14/04/95/828140495.db2.gz TYPWBTSIFNPQAK-CABCVRRESA-N 2 2 293.415 -0.133 20 0 CBADLP C[NH+](C)CCN1CCO[C@H]2C[N@H+](Cc3cncnc3)C[C@H]21 ZINC001276301607 828140771 /nfs/dbraw/zinc/14/07/71/828140771.db2.gz DWLANBHGFPVJMU-CABCVRRESA-N 2 2 291.399 -0.077 20 0 CBADLP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](Cc3cncnc3)C[C@H]21 ZINC001276301607 828140776 /nfs/dbraw/zinc/14/07/76/828140776.db2.gz DWLANBHGFPVJMU-CABCVRRESA-N 2 2 291.399 -0.077 20 0 CBADLP O=C(N[C@@H](C[NH2+]CCO)C1CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001276602603 828152243 /nfs/dbraw/zinc/15/22/43/828152243.db2.gz BFZIIRINECIURS-UTUOFQBUSA-N 2 2 278.356 -0.010 20 0 CBADLP O=C(N[C@@H](C[NH2+]CCO)C1CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001276602603 828152246 /nfs/dbraw/zinc/15/22/46/828152246.db2.gz BFZIIRINECIURS-UTUOFQBUSA-N 2 2 278.356 -0.010 20 0 CBADLP COCC[N@@H+]1CC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001276970054 828168815 /nfs/dbraw/zinc/16/88/15/828168815.db2.gz LQTFISFZXNJHOQ-GFCCVEGCSA-N 2 2 255.362 -0.081 20 0 CBADLP COCC[N@H+]1CC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001276970054 828168821 /nfs/dbraw/zinc/16/88/21/828168821.db2.gz LQTFISFZXNJHOQ-GFCCVEGCSA-N 2 2 255.362 -0.081 20 0 CBADLP C[C@@H](O)C[NH2+]C[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001277092564 828174955 /nfs/dbraw/zinc/17/49/55/828174955.db2.gz HBRXVQVKYLOAJR-IJLUTSLNSA-N 2 2 266.345 -0.252 20 0 CBADLP COC(=O)C[N@@H+]1CC[C@H]2CN(CC[NH+](C)C)C[C@H]21 ZINC001277822693 828212478 /nfs/dbraw/zinc/21/24/78/828212478.db2.gz YYJBPXAKHZZPLE-NWDGAFQWSA-N 2 2 255.362 -0.273 20 0 CBADLP COC(=O)C[N@H+]1CC[C@H]2CN(CC[NH+](C)C)C[C@H]21 ZINC001277822693 828212481 /nfs/dbraw/zinc/21/24/81/828212481.db2.gz YYJBPXAKHZZPLE-NWDGAFQWSA-N 2 2 255.362 -0.273 20 0 CBADLP CCC(=O)C[N@@H+]1C[C@@H]2COC[C@H](C1)N2CC[NH+](C)C ZINC001277853333 828213865 /nfs/dbraw/zinc/21/38/65/828213865.db2.gz SNCUZCTUCLQMQH-BETUJISGSA-N 2 2 269.389 -0.088 20 0 CBADLP CCC(=O)C[N@H+]1C[C@@H]2COC[C@H](C1)N2CC[NH+](C)C ZINC001277853333 828213869 /nfs/dbraw/zinc/21/38/69/828213869.db2.gz SNCUZCTUCLQMQH-BETUJISGSA-N 2 2 269.389 -0.088 20 0 CBADLP C[C@@H](O)C[N@@H+]1C[C@@H]2COC[C@H](C1)N2CCn1cc[nH+]c1 ZINC001277961464 828224326 /nfs/dbraw/zinc/22/43/26/828224326.db2.gz YELOVMMIDFUNCZ-MCIONIFRSA-N 2 2 280.372 -0.351 20 0 CBADLP C[C@@H](O)C[N@H+]1C[C@@H]2COC[C@H](C1)N2CCn1cc[nH+]c1 ZINC001277961464 828224333 /nfs/dbraw/zinc/22/43/33/828224333.db2.gz YELOVMMIDFUNCZ-MCIONIFRSA-N 2 2 280.372 -0.351 20 0 CBADLP NC(=O)C[NH+]1CCC2(C[NH+](Cc3cn[nH]c3)C2)CC1 ZINC001277981028 828226657 /nfs/dbraw/zinc/22/66/57/828226657.db2.gz FMZONVMWEIVSCQ-UHFFFAOYSA-N 2 2 263.345 -0.207 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CCC[C@H]1C[NH2+]CCO ZINC001278015417 828231140 /nfs/dbraw/zinc/23/11/40/828231140.db2.gz FJCXIIUWWPWNGJ-NSHDSACASA-N 2 2 252.318 -0.544 20 0 CBADLP C[N@@H+]1CCC[C@H](C[NH+]2C[C@@H]3C(C(N)=O)=NO[C@@H]3C2)C1 ZINC001278143379 828251393 /nfs/dbraw/zinc/25/13/93/828251393.db2.gz QJJWDFFBRYZWFR-GARJFASQSA-N 2 2 266.345 -0.500 20 0 CBADLP C[N@H+]1CCC[C@H](C[NH+]2C[C@@H]3C(C(N)=O)=NO[C@@H]3C2)C1 ZINC001278143379 828251397 /nfs/dbraw/zinc/25/13/97/828251397.db2.gz QJJWDFFBRYZWFR-GARJFASQSA-N 2 2 266.345 -0.500 20 0 CBADLP C[NH+]1CCC[C@H](C[N@H+]2C[C@@H]3C(C(N)=O)=NO[C@@H]3C2)C1 ZINC001278143379 828251399 /nfs/dbraw/zinc/25/13/99/828251399.db2.gz QJJWDFFBRYZWFR-GARJFASQSA-N 2 2 266.345 -0.500 20 0 CBADLP C[NH+]1CCC[C@H](C[N@@H+]2C[C@@H]3C(C(N)=O)=NO[C@@H]3C2)C1 ZINC001278143379 828251402 /nfs/dbraw/zinc/25/14/02/828251402.db2.gz QJJWDFFBRYZWFR-GARJFASQSA-N 2 2 266.345 -0.500 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@]1(C)CC[N@H+](CCO)C1 ZINC001278437498 828270528 /nfs/dbraw/zinc/27/05/28/828270528.db2.gz DMZORLSKQWXMBK-ZDUSSCGKSA-N 2 2 266.345 -0.166 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@]1(C)CC[N@@H+](CCO)C1 ZINC001278437498 828270531 /nfs/dbraw/zinc/27/05/31/828270531.db2.gz DMZORLSKQWXMBK-ZDUSSCGKSA-N 2 2 266.345 -0.166 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[C@H](C[NH2+]CCO)C1 ZINC001278606798 828275009 /nfs/dbraw/zinc/27/50/09/828275009.db2.gz BQCOHYVOWXRNSZ-NWDGAFQWSA-N 2 2 280.372 -0.171 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@H](O)C[NH2+]CCF ZINC001278828288 828293799 /nfs/dbraw/zinc/29/37/99/828293799.db2.gz VBGXYENWULKIBC-SNVBAGLBSA-N 2 2 272.324 -0.361 20 0 CBADLP COCC[NH2+]C[C@@H](O)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001278827419 828294043 /nfs/dbraw/zinc/29/40/43/828294043.db2.gz MXSQBDQGLPZCND-GFCCVEGCSA-N 2 2 284.360 -0.982 20 0 CBADLP CC[C@@H](C(=O)NCC1(O)C[NH+](CCCOC)C1)[NH+](C)C ZINC001278922452 828311736 /nfs/dbraw/zinc/31/17/36/828311736.db2.gz FYMLSZHLJKNNFT-LBPRGKRZSA-N 2 2 287.404 -0.474 20 0 CBADLP C[C@H]([NH2+]CCO)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001279025276 828315375 /nfs/dbraw/zinc/31/53/75/828315375.db2.gz NFQGUTBRCJBSCR-QWRGUYRKSA-N 2 2 266.345 -0.229 20 0 CBADLP C[C@@H](CNC(=O)[C@H](N)CC[NH+](C)C)Cn1cc[nH+]c1 ZINC001349656716 890861940 /nfs/dbraw/zinc/86/19/40/890861940.db2.gz RXIXMQOLJMWYJS-NWDGAFQWSA-N 2 2 267.377 -0.086 20 0 CBADLP CC(C)([NH3+])c1noc(C[N@@H+]2CC[C@@](C)(C(N)=O)C2)n1 ZINC000232523004 884562545 /nfs/dbraw/zinc/56/25/45/884562545.db2.gz GPZVYUZDLNFFAI-GFCCVEGCSA-N 2 2 267.333 -0.039 20 0 CBADLP CC(C)([NH3+])c1noc(C[N@H+]2CC[C@@](C)(C(N)=O)C2)n1 ZINC000232523004 884562561 /nfs/dbraw/zinc/56/25/61/884562561.db2.gz GPZVYUZDLNFFAI-GFCCVEGCSA-N 2 2 267.333 -0.039 20 0 CBADLP C[C@H](C(=O)N(C)CCN1CC[NH2+]CC1)n1cc[nH+]c1 ZINC001328590640 885736385 /nfs/dbraw/zinc/73/63/85/885736385.db2.gz AXCKQKFXDKFTGS-GFCCVEGCSA-N 2 2 265.361 -0.192 20 0 CBADLP O=C(C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)N1CC[NH2+]CC1 ZINC001329317510 886014667 /nfs/dbraw/zinc/01/46/67/886014667.db2.gz ZTIRASILTNSJES-STQMWFEESA-N 3 2 266.389 -0.508 20 0 CBADLP O=C(C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)N1CC[NH2+]CC1 ZINC001329317510 886014673 /nfs/dbraw/zinc/01/46/73/886014673.db2.gz ZTIRASILTNSJES-STQMWFEESA-N 3 2 266.389 -0.508 20 0 CBADLP C[N@H+](CC(=O)N1CC[NH2+]CC1)C1(C(N)=O)CCCC1 ZINC001329499961 886096812 /nfs/dbraw/zinc/09/68/12/886096812.db2.gz XLHPGSKNIAYMIA-UHFFFAOYSA-N 2 2 268.361 -0.852 20 0 CBADLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)C1(C(N)=O)CCCC1 ZINC001329499961 886096826 /nfs/dbraw/zinc/09/68/26/886096826.db2.gz XLHPGSKNIAYMIA-UHFFFAOYSA-N 2 2 268.361 -0.852 20 0 CBADLP O[C@@H](C[NH2+]CCCn1cc[nH+]c1)C[C@]1(O)CCOC1 ZINC001334680685 888286234 /nfs/dbraw/zinc/28/62/34/888286234.db2.gz IUCRVIXDSLOJKS-CHWSQXEVSA-N 2 2 269.345 -0.235 20 0 CBADLP O[C@@H](C[NH2+]CCCn1cc[nH+]c1)C[C@@]1(O)CCOC1 ZINC001334680686 888286766 /nfs/dbraw/zinc/28/67/66/888286766.db2.gz IUCRVIXDSLOJKS-OLZOCXBDSA-N 2 2 269.345 -0.235 20 0 CBADLP Cn1c[nH+]cc1[C@@H](CO)NC(=O)C1(C[NH+](C)C)CC1 ZINC001335064455 888393973 /nfs/dbraw/zinc/39/39/73/888393973.db2.gz OJZXQSJQFMFYCZ-SNVBAGLBSA-N 2 2 266.345 -0.089 20 0 CBADLP O[C@@H](C[NH2+]CCn1cc[nH+]c1)C[C@@]1(O)CCOC1 ZINC001335304546 888493326 /nfs/dbraw/zinc/49/33/26/888493326.db2.gz SUTGJYXFWCUIET-NEPJUHHUSA-N 2 2 255.318 -0.625 20 0 CBADLP COC[C@H](C)OC[C@@H](O)C[NH2+][C@H]1Cc2c[nH+]cn2C1 ZINC001336827726 888893910 /nfs/dbraw/zinc/89/39/10/888893910.db2.gz AZJBPVGWTDDSLM-GVXVVHGQSA-N 2 2 269.345 -0.190 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC001340076566 889379897 /nfs/dbraw/zinc/37/98/97/889379897.db2.gz GNXJKQVGKOWKDQ-QNWHQSFQSA-N 2 2 267.373 -0.321 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC001340076566 889379907 /nfs/dbraw/zinc/37/99/07/889379907.db2.gz GNXJKQVGKOWKDQ-QNWHQSFQSA-N 2 2 267.373 -0.321 20 0 CBADLP O=C(C[C@@]1(O)CCC[NH2+]C1)NCCCn1cc[nH+]c1 ZINC001340772985 889482754 /nfs/dbraw/zinc/48/27/54/889482754.db2.gz GIOAFUBJTRTNNA-ZDUSSCGKSA-N 2 2 266.345 -0.106 20 0 CBADLP COC(=O)CC[C@@H]([NH3+])C(=O)NCCCn1cc[nH+]c1 ZINC001341515579 889612805 /nfs/dbraw/zinc/61/28/05/889612805.db2.gz MOXCJBZKKMZMHB-SNVBAGLBSA-N 2 2 268.317 -0.330 20 0 CBADLP C[NH+](C)CCC(=O)NCC1C[NH+](CC(=O)NC(C)(C)C)C1 ZINC001443610257 912245791 /nfs/dbraw/zinc/24/57/91/912245791.db2.gz UAVFXFSSPLAXRL-UHFFFAOYSA-N 2 2 298.431 -0.099 20 0 CBADLP C[NH+](C)CCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H]1CCNC1=O ZINC001443692204 912259568 /nfs/dbraw/zinc/25/95/68/912259568.db2.gz WCRPCWNNIAIZNJ-RWMBFGLXSA-N 2 2 294.399 -0.498 20 0 CBADLP C[NH+](C)CCCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCNC1=O ZINC001443692204 912259585 /nfs/dbraw/zinc/25/95/85/912259585.db2.gz WCRPCWNNIAIZNJ-RWMBFGLXSA-N 2 2 294.399 -0.498 20 0 CBADLP CC(C)[C@@H](C(=O)N[C@@H]1CC[N@@H+]([C@H](C)C(N)=O)C1)[NH+](C)C ZINC001443768915 912273446 /nfs/dbraw/zinc/27/34/46/912273446.db2.gz WIMNQMHEOBYIFD-UTUOFQBUSA-N 2 2 284.404 -0.363 20 0 CBADLP CC(C)[C@@H](C(=O)N[C@@H]1CC[N@H+]([C@H](C)C(N)=O)C1)[NH+](C)C ZINC001443768915 912273461 /nfs/dbraw/zinc/27/34/61/912273461.db2.gz WIMNQMHEOBYIFD-UTUOFQBUSA-N 2 2 284.404 -0.363 20 0 CBADLP CC[C@@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)[NH2+]CCO ZINC001443961185 912312333 /nfs/dbraw/zinc/31/23/33/912312333.db2.gz UFVDHKYVMXRCMK-RYUDHWBXSA-N 2 2 280.372 -0.078 20 0 CBADLP [NH3+]C[C@H]1CN(C(=O)C[C@H]([NH3+])C(F)F)CCCO1 ZINC001343670618 889947777 /nfs/dbraw/zinc/94/77/77/889947777.db2.gz BUDBVRJYFDGUSC-YUMQZZPRSA-N 2 2 251.277 -0.455 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)C[NH2+]CC(N)=O ZINC001444329237 912426451 /nfs/dbraw/zinc/42/64/51/912426451.db2.gz UZRSPERZNRZFIA-GHMZBOCLSA-N 2 2 293.371 -0.727 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]C[C@@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001444415901 912448092 /nfs/dbraw/zinc/44/80/92/912448092.db2.gz ATOQFTQQACJEQK-KOLCDFICSA-N 2 2 295.387 -0.263 20 0 CBADLP COC[C@@H](C)[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001444483691 912458170 /nfs/dbraw/zinc/45/81/70/912458170.db2.gz VIEIBWDLSSTIHE-ZIAGYGMSSA-N 2 2 299.415 -0.066 20 0 CBADLP COC[C@@H](C)[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001444483691 912458183 /nfs/dbraw/zinc/45/81/83/912458183.db2.gz VIEIBWDLSSTIHE-ZIAGYGMSSA-N 2 2 299.415 -0.066 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)[C@H]2C[C@@]23CC[NH2+]C3)CC1 ZINC001344709246 890054622 /nfs/dbraw/zinc/05/46/22/890054622.db2.gz XLGUTSLWAUBBST-TZMCWYRMSA-N 3 2 266.389 -0.475 20 0 CBADLP C[C@@]1(C(=O)NCC[NH+]2CCC([NH3+])CC2)CCC(=O)N1 ZINC001344708750 890055476 /nfs/dbraw/zinc/05/54/76/890055476.db2.gz QMKSCYYAIMLFMU-ZDUSSCGKSA-N 2 2 268.361 -0.806 20 0 CBADLP COC[C@H](O)C[NH2+]C[C@@H](C)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001444691862 912490726 /nfs/dbraw/zinc/49/07/26/912490726.db2.gz RIKAKWIGENGAID-ZYHUDNBSSA-N 2 2 284.360 -0.604 20 0 CBADLP C[C@@H](C[NH2+]CC(=O)N1CCC1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001444729108 912498968 /nfs/dbraw/zinc/49/89/68/912498968.db2.gz QEBRPYCQLFSLIX-LBPRGKRZSA-N 2 2 293.371 -0.448 20 0 CBADLP COC(=O)[C@@H]([NH3+])Cc1cn([C@H]2CCC[NH2+]C2)nn1 ZINC001346588859 890324527 /nfs/dbraw/zinc/32/45/27/890324527.db2.gz QFFCENUVJLGQGU-UWVGGRQHSA-N 2 2 253.306 -0.755 20 0 CBADLP CCN(CC[NH2+][C@@H]1CCNC1=O)C(=O)CCc1c[nH]c[nH+]1 ZINC001445307147 912630524 /nfs/dbraw/zinc/63/05/24/912630524.db2.gz UDVDLBLMSCFGRY-GFCCVEGCSA-N 2 2 293.371 -0.331 20 0 CBADLP CCN(CC[NH2+][C@@H]1CCNC1=O)C(=O)CCc1c[nH+]c[nH]1 ZINC001445307147 912630536 /nfs/dbraw/zinc/63/05/36/912630536.db2.gz UDVDLBLMSCFGRY-GFCCVEGCSA-N 2 2 293.371 -0.331 20 0 CBADLP CC[C@H]([NH2+]C[C@@H](C)NC(=O)CCc1[nH+]ccn1C)C(N)=O ZINC001445420159 912663124 /nfs/dbraw/zinc/66/31/24/912663124.db2.gz NONSKMOFBLYZHF-MNOVXSKESA-N 2 2 295.387 -0.289 20 0 CBADLP CC(C)NC(=O)C[NH2+]C[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001445557717 912701687 /nfs/dbraw/zinc/70/16/87/912701687.db2.gz UVPAZSNYQUUBJO-NSHDSACASA-N 2 2 295.387 -0.039 20 0 CBADLP CC(C)NC(=O)C[NH2+]C[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001445557717 912701700 /nfs/dbraw/zinc/70/17/00/912701700.db2.gz UVPAZSNYQUUBJO-NSHDSACASA-N 2 2 295.387 -0.039 20 0 CBADLP CC[C@@H]([NH2+]C[C@H](C)NC(=O)CCn1cc[nH+]c1)C(N)=O ZINC001445590875 912706497 /nfs/dbraw/zinc/70/64/97/912706497.db2.gz MSPRLNMCCZFMQG-WDEREUQCSA-N 2 2 281.360 -0.369 20 0 CBADLP CNC(=O)C[NH2+]C[C@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001445619943 912714467 /nfs/dbraw/zinc/71/44/67/912714467.db2.gz ZRCQBZQMFPNUCT-QWRGUYRKSA-N 2 2 281.360 -0.326 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C[NH2+][C@@H]1CCN(C)C1=O ZINC001445644825 912725692 /nfs/dbraw/zinc/72/56/92/912725692.db2.gz QKRNHSDHYMPRNI-GXSJLCMTSA-N 2 2 293.371 -0.414 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CC[N@@H+](CC2CC2)C[C@@H]1O ZINC001090602609 884645322 /nfs/dbraw/zinc/64/53/22/884645322.db2.gz ZSOWCESJYAJIFG-OLZOCXBDSA-N 2 2 278.356 -0.086 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CC[N@H+](CC2CC2)C[C@@H]1O ZINC001090602609 884645335 /nfs/dbraw/zinc/64/53/35/884645335.db2.gz ZSOWCESJYAJIFG-OLZOCXBDSA-N 2 2 278.356 -0.086 20 0 CBADLP CC(C)[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001090601011 884646818 /nfs/dbraw/zinc/64/68/18/884646818.db2.gz OHPBZLNXAIRRGN-NEPJUHHUSA-N 2 2 266.345 -0.088 20 0 CBADLP CC(C)[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001090601011 884646821 /nfs/dbraw/zinc/64/68/21/884646821.db2.gz OHPBZLNXAIRRGN-NEPJUHHUSA-N 2 2 266.345 -0.088 20 0 CBADLP CCNC(=O)C[NH2+]CCCNC(=O)Cc1[nH]c[nH+]c1C ZINC001174681859 884682805 /nfs/dbraw/zinc/68/28/05/884682805.db2.gz BVUYHKJVDQQEHP-UHFFFAOYSA-N 2 2 281.360 -0.507 20 0 CBADLP CC(C)NC(=O)C[NH2+]C1(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001446288669 912853299 /nfs/dbraw/zinc/85/32/99/912853299.db2.gz JCUPBWVWSPQTSP-UHFFFAOYSA-N 2 2 293.371 -0.354 20 0 CBADLP Cn1nnnc1C[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001446279150 912853968 /nfs/dbraw/zinc/85/39/68/912853968.db2.gz SMUQSYSEDMJKGG-UHFFFAOYSA-N 2 2 293.375 -0.956 20 0 CBADLP O=C(NC1CC[NH+](C2CC[NH2+]CC2)CC1)[C@@H]1COC[NH2+]1 ZINC001219794361 884792638 /nfs/dbraw/zinc/79/26/38/884792638.db2.gz XZMVCYVWXPBNPR-ZDUSSCGKSA-N 3 2 282.388 -0.735 20 0 CBADLP O=C(NC1CC[NH+](C2CC[NH2+]CC2)CC1)[C@@H]1COCN1 ZINC001219794361 884792651 /nfs/dbraw/zinc/79/26/51/884792651.db2.gz XZMVCYVWXPBNPR-ZDUSSCGKSA-N 2 2 282.388 -0.735 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@H](C)[C@H](C)[NH3+] ZINC001326244885 884956195 /nfs/dbraw/zinc/95/61/95/884956195.db2.gz KJWQIAJVYZHBFM-GUBZILKMSA-N 2 2 257.334 -0.667 20 0 CBADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@@H]1[NH2+]CC1(C)C ZINC001326310045 884981096 /nfs/dbraw/zinc/98/10/96/884981096.db2.gz USPVFZRJPCZYFO-ZJUUUORDSA-N 2 2 269.345 -0.652 20 0 CBADLP NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C[C@H]([NH3+])C2CC2)C1 ZINC001326372049 885007271 /nfs/dbraw/zinc/00/72/71/885007271.db2.gz XCHMJWYQKOHBPN-MNOVXSKESA-N 2 2 268.361 -0.820 20 0 CBADLP NC(=O)C[N@H+]1CCC[C@@H](NC(=O)C[C@H]([NH3+])C2CC2)C1 ZINC001326372049 885007284 /nfs/dbraw/zinc/00/72/84/885007284.db2.gz XCHMJWYQKOHBPN-MNOVXSKESA-N 2 2 268.361 -0.820 20 0 CBADLP C[C@]1(C(=O)N[C@@H]2CCC[N@H+](CC(N)=O)C2)CC[NH2+]C1 ZINC001326372058 885007819 /nfs/dbraw/zinc/00/78/19/885007819.db2.gz XFIZCPWCXYOIEL-MFKMUULPSA-N 2 2 268.361 -0.948 20 0 CBADLP C[C@]1(C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)C2)CC[NH2+]C1 ZINC001326372058 885007828 /nfs/dbraw/zinc/00/78/28/885007828.db2.gz XFIZCPWCXYOIEL-MFKMUULPSA-N 2 2 268.361 -0.948 20 0 CBADLP C[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001326368421 885009213 /nfs/dbraw/zinc/00/92/13/885009213.db2.gz BMZFYJXOCWUYPR-HBNTYKKESA-N 2 2 268.361 -0.950 20 0 CBADLP C[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001326368421 885009223 /nfs/dbraw/zinc/00/92/23/885009223.db2.gz BMZFYJXOCWUYPR-HBNTYKKESA-N 2 2 268.361 -0.950 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](CC[NH2+]CC(N)=O)C1 ZINC001326419325 885021233 /nfs/dbraw/zinc/02/12/33/885021233.db2.gz PEHKXVSGRVOGLA-LLVKDONJSA-N 2 2 293.371 -0.426 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@@]1(C)CC[N@H+](CC(N)=O)C1 ZINC001446568369 912905745 /nfs/dbraw/zinc/90/57/45/912905745.db2.gz WAHRSHACHOPTBQ-ZDUSSCGKSA-N 2 2 279.344 -0.743 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@@]1(C)CC[N@@H+](CC(N)=O)C1 ZINC001446568369 912905762 /nfs/dbraw/zinc/90/57/62/912905762.db2.gz WAHRSHACHOPTBQ-ZDUSSCGKSA-N 2 2 279.344 -0.743 20 0 CBADLP COCC[NH2+]C[C@H]1CN(C(=O)CCn2cc[nH+]c2)CCO1 ZINC001327017609 885224728 /nfs/dbraw/zinc/22/47/28/885224728.db2.gz JQPHIHKVXNTUOP-ZDUSSCGKSA-N 2 2 296.371 -0.263 20 0 CBADLP COCCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001327033805 885233241 /nfs/dbraw/zinc/23/32/41/885233241.db2.gz HWIQVXAXMFIEQK-CYBMUJFWSA-N 2 2 296.371 -0.194 20 0 CBADLP [NH3+]CC1(CCNC(=O)C(=O)NCCn2cc[nH+]c2)CC1 ZINC001327393818 885338870 /nfs/dbraw/zinc/33/88/70/885338870.db2.gz XEZRPTIECBCAFL-UHFFFAOYSA-N 2 2 279.344 -0.756 20 0 CBADLP COCC[NH2+]CC1(O)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001328224558 885604675 /nfs/dbraw/zinc/60/46/75/885604675.db2.gz SHVYQZSHMRYZMH-UHFFFAOYSA-N 2 2 296.371 -0.527 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C[C@H]([NH3+])C1CC1 ZINC001328581689 885735552 /nfs/dbraw/zinc/73/55/52/885735552.db2.gz UDGVBGHVYSASKK-JQWIXIFHSA-N 2 2 255.362 -0.049 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)C[C@H]([NH3+])C1CC1 ZINC001328581689 885735559 /nfs/dbraw/zinc/73/55/59/885735559.db2.gz UDGVBGHVYSASKK-JQWIXIFHSA-N 2 2 255.362 -0.049 20 0 CBADLP CO[C@@H](C)C[NH+]1CC(O)(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001446855975 912969817 /nfs/dbraw/zinc/96/98/17/912969817.db2.gz TVTWTOQMRIGNSZ-LBPRGKRZSA-N 2 2 299.415 -0.332 20 0 CBADLP CO[C@@H](C)C[NH+]1CC(O)(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001446855975 912969833 /nfs/dbraw/zinc/96/98/33/912969833.db2.gz TVTWTOQMRIGNSZ-LBPRGKRZSA-N 2 2 299.415 -0.332 20 0 CBADLP C[N@H+](CC(=O)NCC1(O)C[NH+](CCCO)C1)C1CCC1 ZINC001446857330 912970539 /nfs/dbraw/zinc/97/05/39/912970539.db2.gz ZMJFIRABYBXZSK-UHFFFAOYSA-N 2 2 285.388 -0.984 20 0 CBADLP C[N@@H+](CC(=O)NCC1(O)C[NH+](CCCO)C1)C1CCC1 ZINC001446857330 912970550 /nfs/dbraw/zinc/97/05/50/912970550.db2.gz ZMJFIRABYBXZSK-UHFFFAOYSA-N 2 2 285.388 -0.984 20 0 CBADLP C[C@H](O)C[NH2+]CC1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001328938618 885852898 /nfs/dbraw/zinc/85/28/98/885852898.db2.gz PTAGXOJUZZNHLY-WHXUTIOJSA-N 2 2 266.345 -0.183 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC001329434821 886066379 /nfs/dbraw/zinc/06/63/79/886066379.db2.gz YRSKVNASTVZUDI-NWDGAFQWSA-N 2 2 264.329 -0.449 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC001329434821 886066389 /nfs/dbraw/zinc/06/63/89/886066389.db2.gz YRSKVNASTVZUDI-NWDGAFQWSA-N 2 2 264.329 -0.449 20 0 CBADLP C[C@@H]1C[N@H+](CCN2CCN([C@@H]3CC[NH2+]C3)CC2)CCO1 ZINC001329500228 886096491 /nfs/dbraw/zinc/09/64/91/886096491.db2.gz ZWOLLBXXGHGYBJ-HUUCEWRRSA-N 2 2 282.432 -0.313 20 0 CBADLP C[C@@H]1C[N@@H+](CCN2CCN([C@@H]3CC[NH2+]C3)CC2)CCO1 ZINC001329500228 886096502 /nfs/dbraw/zinc/09/65/02/886096502.db2.gz ZWOLLBXXGHGYBJ-HUUCEWRRSA-N 2 2 282.432 -0.313 20 0 CBADLP C[C@H]1C[N@H+](CCN2CCN([C@H]3CC[NH2+]C3)CC2)CCO1 ZINC001329500227 886098227 /nfs/dbraw/zinc/09/82/27/886098227.db2.gz ZWOLLBXXGHGYBJ-GJZGRUSLSA-N 2 2 282.432 -0.313 20 0 CBADLP C[C@H]1C[N@@H+](CCN2CCN([C@H]3CC[NH2+]C3)CC2)CCO1 ZINC001329500227 886098231 /nfs/dbraw/zinc/09/82/31/886098231.db2.gz ZWOLLBXXGHGYBJ-GJZGRUSLSA-N 2 2 282.432 -0.313 20 0 CBADLP C[NH2+]CCCC(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001329563651 886125080 /nfs/dbraw/zinc/12/50/80/886125080.db2.gz CCOUHCFDAFZJJI-JTQLQIEISA-N 2 2 256.350 -0.948 20 0 CBADLP C[NH2+]CCCC(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001329563651 886125092 /nfs/dbraw/zinc/12/50/92/886125092.db2.gz CCOUHCFDAFZJJI-JTQLQIEISA-N 2 2 256.350 -0.948 20 0 CBADLP COCn1ncc(C)c1C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC001330081358 886353808 /nfs/dbraw/zinc/35/38/08/886353808.db2.gz MKFPJPIDNFEGQE-CYBMUJFWSA-N 2 2 268.361 -0.048 20 0 CBADLP COCn1ncc(C)c1C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC001330081358 886353826 /nfs/dbraw/zinc/35/38/26/886353826.db2.gz MKFPJPIDNFEGQE-CYBMUJFWSA-N 2 2 268.361 -0.048 20 0 CBADLP O=C1NCCC12CC[NH+](C[C@H]1C[NH2+]CCO1)CC2 ZINC001330696664 886534932 /nfs/dbraw/zinc/53/49/32/886534932.db2.gz FGPSVGKTAHTNSX-LLVKDONJSA-N 2 2 253.346 -0.423 20 0 CBADLP COC[C@@H](C)[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001447315528 913053693 /nfs/dbraw/zinc/05/36/93/913053693.db2.gz YCZYWEFLUMHESP-OLZOCXBDSA-N 2 2 296.371 -0.265 20 0 CBADLP Cn1c[nH+]cc1Cn1cc(Cn2cc(C[NH3+])cn2)nn1 ZINC001330783091 886564708 /nfs/dbraw/zinc/56/47/08/886564708.db2.gz HMGFEFGYBCLEQA-UHFFFAOYSA-N 2 2 272.316 -0.237 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@H]([NH3+])CC1CC1 ZINC001330879835 886613096 /nfs/dbraw/zinc/61/30/96/886613096.db2.gz MKSQCHZHIQHIHY-MNOVXSKESA-N 2 2 269.345 -0.523 20 0 CBADLP [NH3+]CC1(NC(=O)/C=C/C[NH+]2CCOCC2)CCOCC1 ZINC001331059419 886663162 /nfs/dbraw/zinc/66/31/62/886663162.db2.gz RVBWDJTYFARPEM-OWOJBTEDSA-N 2 2 283.372 -0.501 20 0 CBADLP C[NH2+]CCOCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001331466133 886815645 /nfs/dbraw/zinc/81/56/45/886815645.db2.gz LAEIXRXPSPZBTG-NSHDSACASA-N 2 2 266.345 -0.202 20 0 CBADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)C1=CC[C@H]([NH3+])C1 ZINC001331688665 886908469 /nfs/dbraw/zinc/90/84/69/886908469.db2.gz DGKGKRHDEYONEY-WDEREUQCSA-N 2 2 267.329 -0.603 20 0 CBADLP O=C(NC[C@@H](CO)[NH2+]CCCF)[C@H]1CCn2cc[nH+]c2C1 ZINC001331738014 886945193 /nfs/dbraw/zinc/94/51/93/886945193.db2.gz DRKPCQUPRIOMBX-RYUDHWBXSA-N 2 2 298.362 -0.128 20 0 CBADLP C[N@H+](CCOCC[NH3+])Cc1coc(S(N)(=O)=O)c1 ZINC001331847683 887013721 /nfs/dbraw/zinc/01/37/21/887013721.db2.gz ORFRSFOFVJTUAX-UHFFFAOYSA-N 2 2 277.346 -0.666 20 0 CBADLP C[N@@H+](CCOCC[NH3+])Cc1coc(S(N)(=O)=O)c1 ZINC001331847683 887013736 /nfs/dbraw/zinc/01/37/36/887013736.db2.gz ORFRSFOFVJTUAX-UHFFFAOYSA-N 2 2 277.346 -0.666 20 0 CBADLP C[C@@H]1C[C@H]([NH2+]CCOCCO)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001332026358 887087952 /nfs/dbraw/zinc/08/79/52/887087952.db2.gz JZLUWUONHHRKRN-YPMHNXCESA-N 2 2 296.371 -0.460 20 0 CBADLP Cn1c[nH+]cc1CC[NH+]1CCC(O)(COCCO)CC1 ZINC001332364515 887229717 /nfs/dbraw/zinc/22/97/17/887229717.db2.gz GYRVAWUSQGTFIN-UHFFFAOYSA-N 2 2 283.372 -0.202 20 0 CBADLP CN(C(=O)C(N)=O)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001332440472 887283311 /nfs/dbraw/zinc/28/33/11/887283311.db2.gz OFHSZHWUCWYWLP-LLVKDONJSA-N 2 2 268.361 -0.901 20 0 CBADLP CN(C(=O)C(N)=O)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001332440472 887283330 /nfs/dbraw/zinc/28/33/30/887283330.db2.gz OFHSZHWUCWYWLP-LLVKDONJSA-N 2 2 268.361 -0.901 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCCN1CC[NH2+]CC1 ZINC001332958110 887486518 /nfs/dbraw/zinc/48/65/18/887486518.db2.gz GZSUEGXBTSNUCW-UHFFFAOYSA-N 2 2 251.334 -0.718 20 0 CBADLP CC(C)(C(N)=O)[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC001333009376 887501838 /nfs/dbraw/zinc/50/18/38/887501838.db2.gz SGCJGUHAITXQPN-UHFFFAOYSA-N 2 2 268.405 -0.036 20 0 CBADLP CCNC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001447879316 913153003 /nfs/dbraw/zinc/15/30/03/913153003.db2.gz DCAASNJHQCUVIV-RYUDHWBXSA-N 2 2 295.387 -0.108 20 0 CBADLP [NH3+]Cc1cnn(Cc2cn(CCn3cc[nH+]c3)nn2)c1 ZINC001333120699 887533786 /nfs/dbraw/zinc/53/37/86/887533786.db2.gz HJFWORADLKJAKL-UHFFFAOYSA-N 2 2 272.316 -0.122 20 0 CBADLP C[C@H](O)C[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC001333529578 887677488 /nfs/dbraw/zinc/67/74/88/887677488.db2.gz OAWMUTIYZNXTOP-JTQLQIEISA-N 2 2 265.361 -0.059 20 0 CBADLP CC(=O)N1CCC[C@@H](C[NH2+][C@@H]2C[NH2+]CCOC2)C1 ZINC001333597954 887710020 /nfs/dbraw/zinc/71/00/20/887710020.db2.gz SAPQEPQWNWWRRD-QWHCGFSZSA-N 2 2 255.362 -0.177 20 0 CBADLP C[C@H](NC(=O)CCCn1cc[nH+]c1)[C@H](C)[NH2+]CC(N)=O ZINC001447943933 913176002 /nfs/dbraw/zinc/17/60/02/913176002.db2.gz QGVISBRHJJTYHR-QWRGUYRKSA-N 2 2 281.360 -0.369 20 0 CBADLP CNC(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001448057670 913201784 /nfs/dbraw/zinc/20/17/84/913201784.db2.gz GEGHXESDSGDNLU-NEPJUHHUSA-N 2 2 284.404 -0.347 20 0 CBADLP CNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001448057670 913201793 /nfs/dbraw/zinc/20/17/93/913201793.db2.gz GEGHXESDSGDNLU-NEPJUHHUSA-N 2 2 284.404 -0.347 20 0 CBADLP CNC(=O)C[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001448057670 913201807 /nfs/dbraw/zinc/20/18/07/913201807.db2.gz GEGHXESDSGDNLU-NEPJUHHUSA-N 2 2 284.404 -0.347 20 0 CBADLP CNC(=O)C[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001448057670 913201822 /nfs/dbraw/zinc/20/18/22/913201822.db2.gz GEGHXESDSGDNLU-NEPJUHHUSA-N 2 2 284.404 -0.347 20 0 CBADLP CNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001448057672 913203221 /nfs/dbraw/zinc/20/32/21/913203221.db2.gz GEGHXESDSGDNLU-RYUDHWBXSA-N 2 2 284.404 -0.347 20 0 CBADLP CNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001448057672 913203239 /nfs/dbraw/zinc/20/32/39/913203239.db2.gz GEGHXESDSGDNLU-RYUDHWBXSA-N 2 2 284.404 -0.347 20 0 CBADLP CNC(=O)C[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001448057672 913203257 /nfs/dbraw/zinc/20/32/57/913203257.db2.gz GEGHXESDSGDNLU-RYUDHWBXSA-N 2 2 284.404 -0.347 20 0 CBADLP CNC(=O)C[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001448057672 913203272 /nfs/dbraw/zinc/20/32/72/913203272.db2.gz GEGHXESDSGDNLU-RYUDHWBXSA-N 2 2 284.404 -0.347 20 0 CBADLP [NH3+]CC[C@@H]1CCN(C(=O)C(=O)NCCn2cc[nH+]c2)C1 ZINC001335169025 888429626 /nfs/dbraw/zinc/42/96/26/888429626.db2.gz LIDITZYAWULVND-LLVKDONJSA-N 2 2 279.344 -0.803 20 0 CBADLP COC[C@@H]1C[NH2+]CCN1C(=O)NCCn1cc[nH+]c1 ZINC001335367646 888517597 /nfs/dbraw/zinc/51/75/97/888517597.db2.gz OGMRUBVXMJEJEV-NSHDSACASA-N 2 2 267.333 -0.487 20 0 CBADLP O=C(CCC[NH+]1CCCC1)NC1(CCO)C[NH+](CCO)C1 ZINC001448197978 913256882 /nfs/dbraw/zinc/25/68/82/913256882.db2.gz GBUJNDIGMNDDJI-UHFFFAOYSA-N 2 2 299.415 -0.592 20 0 CBADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NCC[NH2+]C ZINC001335583486 888569792 /nfs/dbraw/zinc/56/97/92/888569792.db2.gz FXGFHOBWCALXKO-LLVKDONJSA-N 2 2 258.366 -0.384 20 0 CBADLP C[C@@H]([NH3+])CN(C)C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001335622850 888586328 /nfs/dbraw/zinc/58/63/28/888586328.db2.gz JWICAYRYHQHMQM-SNVBAGLBSA-N 3 2 257.382 -0.602 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)NCCCCCO)CC1 ZINC001335646716 888593644 /nfs/dbraw/zinc/59/36/44/888593644.db2.gz OLODINJWQUEPKU-UHFFFAOYSA-N 2 2 272.393 -0.129 20 0 CBADLP CC(C)C(=O)NCCNC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001335910523 888652017 /nfs/dbraw/zinc/65/20/17/888652017.db2.gz IAPXKKQVVODPKD-UHFFFAOYSA-N 2 2 299.419 -0.519 20 0 CBADLP CC(C)([NH3+])CNC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001336116303 888697740 /nfs/dbraw/zinc/69/77/40/888697740.db2.gz KXHHXCDYITYMPI-UHFFFAOYSA-N 3 2 257.382 -0.554 20 0 CBADLP Cn1cnc(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)c1 ZINC001336151470 888706669 /nfs/dbraw/zinc/70/66/69/888706669.db2.gz LHOJTILPGGFGQD-CYBMUJFWSA-N 2 2 267.377 -0.882 20 0 CBADLP CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)CCC[NH+](C)C)C1 ZINC001448316352 913274499 /nfs/dbraw/zinc/27/44/99/913274499.db2.gz AJXTYBYCPKSBEX-LBPRGKRZSA-N 2 2 298.431 -0.099 20 0 CBADLP C[NH+]1CCN(C(=O)CNc2cc[nH+]c(N)n2)CC1 ZINC001336489648 888775658 /nfs/dbraw/zinc/77/56/58/888775658.db2.gz CJLPGBKFBKZXDP-UHFFFAOYSA-N 2 2 250.306 -0.755 20 0 CBADLP C[C@@H](NC(=O)C[NH+]1CCCC1)C1C[NH+]([C@H]2CCNC2=O)C1 ZINC001448365577 913284070 /nfs/dbraw/zinc/28/40/70/913284070.db2.gz WBAOYPNPWXOBBB-YPMHNXCESA-N 2 2 294.399 -0.593 20 0 CBADLP C[C@@H]1CC[N@H+](CC[NH2+]C[C@H](O)C[C@]2(O)CCOC2)C1 ZINC001336780663 888880239 /nfs/dbraw/zinc/88/02/39/888880239.db2.gz OCKQZNIGUVHDRZ-MGPQQGTHSA-N 2 2 272.389 -0.180 20 0 CBADLP C[C@@H]1CC[N@@H+](CC[NH2+]C[C@H](O)C[C@]2(O)CCOC2)C1 ZINC001336780663 888880255 /nfs/dbraw/zinc/88/02/55/888880255.db2.gz OCKQZNIGUVHDRZ-MGPQQGTHSA-N 2 2 272.389 -0.180 20 0 CBADLP C[NH+](C)[C@H]1C[C@@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)C1(C)C ZINC001336838438 888897113 /nfs/dbraw/zinc/89/71/13/888897113.db2.gz DQEYOXQLHNXBET-KFWWJZLASA-N 3 2 298.475 -0.087 20 0 CBADLP COCC[C@@H]([NH3+])C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC001336977218 888940396 /nfs/dbraw/zinc/94/03/96/888940396.db2.gz GUTGXMLJCBXACA-WDEREUQCSA-N 2 2 254.334 -0.001 20 0 CBADLP C[C@@H]([NH2+]CCO)[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CCO1 ZINC001448459931 913300559 /nfs/dbraw/zinc/30/05/59/913300559.db2.gz GDGLAIGPBHHDAB-DGCLKSJQSA-N 2 2 296.371 -0.460 20 0 CBADLP C[C@@H]([NH2+]CCO)[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CCO1 ZINC001448459931 913300578 /nfs/dbraw/zinc/30/05/78/913300578.db2.gz GDGLAIGPBHHDAB-DGCLKSJQSA-N 2 2 296.371 -0.460 20 0 CBADLP CC(C)(CO)[NH+]1CCN(c2cc(N)[nH+]cn2)CC1 ZINC001337784042 889077458 /nfs/dbraw/zinc/07/74/58/889077458.db2.gz ZQBKPIRSKFRMCO-UHFFFAOYSA-N 2 2 251.334 -0.048 20 0 CBADLP C[NH2+]C[C@H](C)NC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001338658329 889187373 /nfs/dbraw/zinc/18/73/73/889187373.db2.gz AKHLGYQKAYOZII-JTQLQIEISA-N 3 2 257.382 -0.683 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)NCC1([NH3+])CC1 ZINC001338747152 889199442 /nfs/dbraw/zinc/19/94/42/889199442.db2.gz QNCLMUKTHVRUNY-UHFFFAOYSA-N 2 2 256.350 -0.549 20 0 CBADLP CC(C)C[C@@H]([NH3+])C[NH2+]CC[C@@H]1CNCCS1(=O)=O ZINC001339226868 889252632 /nfs/dbraw/zinc/25/26/32/889252632.db2.gz WFZJPMVENURVJM-VXGBXAGGSA-N 2 2 277.434 -0.274 20 0 CBADLP C[C@H](Nc1nccnc1C[NH3+])[C@H]1C[N@H+](C)CCN1C ZINC001339814642 889327512 /nfs/dbraw/zinc/32/75/12/889327512.db2.gz DXVSPCUMUCHFIN-CMPLNLGQSA-N 2 2 264.377 -0.019 20 0 CBADLP C[C@H](Nc1nccnc1C[NH3+])[C@H]1C[N@@H+](C)CCN1C ZINC001339814642 889327529 /nfs/dbraw/zinc/32/75/29/889327529.db2.gz DXVSPCUMUCHFIN-CMPLNLGQSA-N 2 2 264.377 -0.019 20 0 CBADLP C[C@H](Nc1nccnc1C[NH3+])[C@H]1CN(C)CC[N@@H+]1C ZINC001339814642 889327543 /nfs/dbraw/zinc/32/75/43/889327543.db2.gz DXVSPCUMUCHFIN-CMPLNLGQSA-N 2 2 264.377 -0.019 20 0 CBADLP C[C@H](Nc1nccnc1C[NH3+])[C@H]1CN(C)CC[N@H+]1C ZINC001339814642 889327553 /nfs/dbraw/zinc/32/75/53/889327553.db2.gz DXVSPCUMUCHFIN-CMPLNLGQSA-N 2 2 264.377 -0.019 20 0 CBADLP C[C@]1(C(=O)NCCCn2cc[nH+]c2)C[C@H](O)C[NH2+]1 ZINC001340011392 889361585 /nfs/dbraw/zinc/36/15/85/889361585.db2.gz IHUQVFKQXBAPHE-CMPLNLGQSA-N 2 2 252.318 -0.498 20 0 CBADLP CCOCC[NH+]1CCN(C(=O)[C@H]2C[NH2+]CCN2C)CC1 ZINC001340034289 889368309 /nfs/dbraw/zinc/36/83/09/889368309.db2.gz RWMUZSZSPAUVKN-CYBMUJFWSA-N 2 2 284.404 -0.929 20 0 CBADLP C[NH2+]CCCCC(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001340055535 889371905 /nfs/dbraw/zinc/37/19/05/889371905.db2.gz BLMMGPGIWAKCCP-LLVKDONJSA-N 2 2 270.377 -0.558 20 0 CBADLP C[NH2+]CCCCC(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001340055535 889371915 /nfs/dbraw/zinc/37/19/15/889371915.db2.gz BLMMGPGIWAKCCP-LLVKDONJSA-N 2 2 270.377 -0.558 20 0 CBADLP [NH3+][C@H](CO)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC001340151307 889399409 /nfs/dbraw/zinc/39/94/09/889399409.db2.gz LOYCFOWQJSPNGE-LLVKDONJSA-N 2 2 269.370 -0.288 20 0 CBADLP O=C(CCn1cc[nH+]c1)N[C@H]1COC2(C[NH2+]C2)C1 ZINC001341370282 889583467 /nfs/dbraw/zinc/58/34/67/889583467.db2.gz WKFXATOHCLBGHW-SNVBAGLBSA-N 2 2 250.302 -0.480 20 0 CBADLP O=C(/C=C\C[NH+]1CCOCC1)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001341421931 889595718 /nfs/dbraw/zinc/59/57/18/889595718.db2.gz GIAPRKQHXLJUCW-XDWZZLAFSA-N 2 2 265.357 -0.116 20 0 CBADLP C[NH2+]C[C@H](O)[C@@H](C)C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC001341660155 889643194 /nfs/dbraw/zinc/64/31/94/889643194.db2.gz UJEWYDYHCYSNKK-TUAOUCFPSA-N 2 2 268.361 -0.148 20 0 CBADLP [NH3+]C[C@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CCO1 ZINC001341754592 889658235 /nfs/dbraw/zinc/65/82/35/889658235.db2.gz UYIJVGWVGIPHKD-PWSUYJOCSA-N 2 2 264.329 -0.368 20 0 CBADLP C[NH2+]CCOCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001342301397 889749044 /nfs/dbraw/zinc/74/90/44/889749044.db2.gz JMVUHABNMBYEAA-NSHDSACASA-N 2 2 266.345 -0.202 20 0 CBADLP CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001448781900 913381668 /nfs/dbraw/zinc/38/16/68/913381668.db2.gz JLVRGRTWQCUOBU-JTQLQIEISA-N 2 2 295.387 -0.167 20 0 CBADLP [NH3+][C@H](C(=O)N1CCNCC[NH2+]CC1)c1ccc(F)cc1F ZINC001342705763 889817431 /nfs/dbraw/zinc/81/74/31/889817431.db2.gz YWJUECZHIFXWNW-ZDUSSCGKSA-N 2 2 298.337 -0.014 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001343421836 889907141 /nfs/dbraw/zinc/90/71/41/889907141.db2.gz RVWUKFGEFRCIAI-YVECIDJPSA-N 2 2 267.373 -0.036 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001343421836 889907155 /nfs/dbraw/zinc/90/71/55/889907155.db2.gz RVWUKFGEFRCIAI-YVECIDJPSA-N 2 2 267.373 -0.036 20 0 CBADLP C[C@@H](NC(=O)[C@@H]1CCC[C@@H]1[NH3+])[C@H]1CN(C)CC[N@@H+]1C ZINC001343492896 889922233 /nfs/dbraw/zinc/92/22/33/889922233.db2.gz WKERLNODCCCXKZ-FVCCEPFGSA-N 2 2 268.405 -0.136 20 0 CBADLP C[C@@H](NC(=O)[C@@H]1CCC[C@@H]1[NH3+])[C@H]1CN(C)CC[N@H+]1C ZINC001343492896 889922240 /nfs/dbraw/zinc/92/22/40/889922240.db2.gz WKERLNODCCCXKZ-FVCCEPFGSA-N 2 2 268.405 -0.136 20 0 CBADLP CCN(C(=O)CN1CC[NH2+]CC1=O)C1CC[NH2+]CC1 ZINC001343732591 889959059 /nfs/dbraw/zinc/95/90/59/889959059.db2.gz OVOCEHSJNKFBNZ-UHFFFAOYSA-N 2 2 268.361 -0.981 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC001343737133 889960066 /nfs/dbraw/zinc/96/00/66/889960066.db2.gz QKXKMEJNSKQYIS-SDDRHHMPSA-N 2 2 255.362 -0.097 20 0 CBADLP C[C@@H](C(=O)N1NC(=O)C[C@]12CC[NH2+]C2)n1cc[nH+]c1 ZINC001344437894 890024889 /nfs/dbraw/zinc/02/48/89/890024889.db2.gz QFKCUPCWROUAOZ-CABZTGNLSA-N 2 2 263.301 -0.560 20 0 CBADLP CCS(=O)(=O)CC[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC001346202913 890238620 /nfs/dbraw/zinc/23/86/20/890238620.db2.gz CLSXKKRETZMANE-LBPRGKRZSA-N 2 2 277.434 -0.353 20 0 CBADLP C[N@H+]1CCN(C(=O)[C@H](F)[C@@H]2CC[NH2+]C2)[C@@H](CO)C1 ZINC001346229068 890246072 /nfs/dbraw/zinc/24/60/72/890246072.db2.gz PKWMMYSERBQGJI-GMTAPVOTSA-N 2 2 259.325 -0.931 20 0 CBADLP C[N@@H+]1CCN(C(=O)[C@H](F)[C@@H]2CC[NH2+]C2)[C@@H](CO)C1 ZINC001346229068 890246057 /nfs/dbraw/zinc/24/60/57/890246057.db2.gz PKWMMYSERBQGJI-GMTAPVOTSA-N 2 2 259.325 -0.931 20 0 CBADLP CC(C)[NH2+][C@H](CO)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001448863434 913431291 /nfs/dbraw/zinc/43/12/91/913431291.db2.gz VBZWGLPCRPVWGW-NEPJUHHUSA-N 2 2 280.372 -0.079 20 0 CBADLP CCOCC[C@H](O)C[NH2+][C@@H](C)[C@H]1C[N@H+](C)CCN1C ZINC001346251247 890251239 /nfs/dbraw/zinc/25/12/39/890251239.db2.gz KQWITVGHKRMMGA-MELADBBJSA-N 2 2 273.421 -0.002 20 0 CBADLP CCOCC[C@H](O)C[NH2+][C@@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC001346251247 890251257 /nfs/dbraw/zinc/25/12/57/890251257.db2.gz KQWITVGHKRMMGA-MELADBBJSA-N 2 2 273.421 -0.002 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)N[C@H]2C[C@@H](O)C2)CC1 ZINC001346570452 890326842 /nfs/dbraw/zinc/32/68/42/890326842.db2.gz QSLWIOVACAIXNH-PHIMTYICSA-N 2 2 256.350 -0.768 20 0 CBADLP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCCc1[nH]cc[nH+]1 ZINC001348831018 890709714 /nfs/dbraw/zinc/70/97/14/890709714.db2.gz PKZRDBHERZUNHA-QWRGUYRKSA-N 2 2 263.345 -0.543 20 0 CBADLP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCCc1[nH]cc[nH+]1 ZINC001348831018 890709722 /nfs/dbraw/zinc/70/97/22/890709722.db2.gz PKZRDBHERZUNHA-QWRGUYRKSA-N 2 2 263.345 -0.543 20 0 CBADLP C[C@@H]1C[C@@H]([NH2+]CC(=O)N(C)C)CN1C(=O)Cn1cc[nH+]c1 ZINC001449014126 913482581 /nfs/dbraw/zinc/48/25/81/913482581.db2.gz KQGPXGASGBULTO-VXGBXAGGSA-N 2 2 293.371 -0.450 20 0 CBADLP C[NH+]1CCN(C(=O)c2cn(CCC[NH3+])nn2)CC1 ZINC001349130661 890766044 /nfs/dbraw/zinc/76/60/44/890766044.db2.gz FCRNLCHJUVKKNE-UHFFFAOYSA-N 2 2 252.322 -0.986 20 0 CBADLP Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1C[N@H+]2CCN1C[C@H]2C ZINC001349160530 890766863 /nfs/dbraw/zinc/76/68/63/890766863.db2.gz ZYPNCOJQIHOUCX-SKDRFNHKSA-N 2 2 263.345 -0.277 20 0 CBADLP Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001349160530 890766877 /nfs/dbraw/zinc/76/68/77/890766877.db2.gz ZYPNCOJQIHOUCX-SKDRFNHKSA-N 2 2 263.345 -0.277 20 0 CBADLP Cc1[nH+]c[nH]c1CNC(=O)[C@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001349160529 890767753 /nfs/dbraw/zinc/76/77/53/890767753.db2.gz ZYPNCOJQIHOUCX-JOYOIKCWSA-N 2 2 263.345 -0.277 20 0 CBADLP Cc1[nH+]c[nH]c1CNC(=O)[C@H]1C[N@@H+]2CCN1C[C@@H]2C ZINC001349160529 890767772 /nfs/dbraw/zinc/76/77/72/890767772.db2.gz ZYPNCOJQIHOUCX-JOYOIKCWSA-N 2 2 263.345 -0.277 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001349174090 890770483 /nfs/dbraw/zinc/77/04/83/890770483.db2.gz QAUHRJGZDDQBEB-UHFFFAOYSA-N 2 2 295.387 -0.085 20 0 CBADLP C[C@](C[NH3+])([NH2+]CCC(=O)N1CC[NH2+]CC1)C1CC1 ZINC001349388878 890807713 /nfs/dbraw/zinc/80/77/13/890807713.db2.gz GDZOMTMYXGFZLL-CYBMUJFWSA-N 3 2 254.378 -0.475 20 0 CBADLP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@H](C)[NH+]2CCN(C)CC2)C1 ZINC001349417664 890810163 /nfs/dbraw/zinc/81/01/63/890810163.db2.gz IHMVSISANOEZPX-RWMBFGLXSA-N 2 2 268.405 -0.182 20 0 CBADLP C[C@H](CNC(=O)[C@@H](N)CC[NH+](C)C)Cn1cc[nH+]c1 ZINC001349656714 890861122 /nfs/dbraw/zinc/86/11/22/890861122.db2.gz RXIXMQOLJMWYJS-NEPJUHHUSA-N 2 2 267.377 -0.086 20 0 CBADLP CS(=O)(=O)NCC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC001349839416 890903038 /nfs/dbraw/zinc/90/30/38/890903038.db2.gz LKDIDLVWYKENAD-LBPRGKRZSA-N 2 2 291.417 -0.622 20 0 CBADLP C[NH+](C)C1(C(=O)NC2CC[NH+](CC(N)=O)CC2)CC1 ZINC001350813263 891050631 /nfs/dbraw/zinc/05/06/31/891050631.db2.gz YZANLJBZWOQMOE-UHFFFAOYSA-N 2 2 268.361 -0.854 20 0 CBADLP CN(CCCNC(=O)Cc1c[nH]c[nH+]1)C(=O)CC[NH+](C)C ZINC001351958499 891209746 /nfs/dbraw/zinc/20/97/46/891209746.db2.gz NQOOWGINBLECHN-UHFFFAOYSA-N 2 2 295.387 -0.131 20 0 CBADLP CN(C[C@@H](O)C[N@H+](C)CCF)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001449186877 913535161 /nfs/dbraw/zinc/53/51/61/913535161.db2.gz KJPSVOGVSZXAHQ-NWDGAFQWSA-N 2 2 291.367 -0.962 20 0 CBADLP CN(C[C@@H](O)C[N@@H+](C)CCF)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001449186877 913535177 /nfs/dbraw/zinc/53/51/77/913535177.db2.gz KJPSVOGVSZXAHQ-NWDGAFQWSA-N 2 2 291.367 -0.962 20 0 CBADLP CN(C[C@@H](O)C[NH+](C)CCF)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001449186877 913535192 /nfs/dbraw/zinc/53/51/92/913535192.db2.gz KJPSVOGVSZXAHQ-NWDGAFQWSA-N 2 2 291.367 -0.962 20 0 CBADLP CN(C[C@@H](O)C[NH+](C)CCF)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001449186877 913535206 /nfs/dbraw/zinc/53/52/06/913535206.db2.gz KJPSVOGVSZXAHQ-NWDGAFQWSA-N 2 2 291.367 -0.962 20 0 CBADLP CC[NH2+][C@@H](C)C(=O)N1CC[NH2+]C[C@H]1C(=O)OCC ZINC001352837708 891304270 /nfs/dbraw/zinc/30/42/70/891304270.db2.gz XPRPIVNAEYNRGC-UWVGGRQHSA-N 2 2 257.334 -0.652 20 0 CBADLP CON(C)C(=O)CC[NH2+][C@@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC001353315362 891401164 /nfs/dbraw/zinc/40/11/64/891401164.db2.gz JXMRNUKHLLFVEX-RYUDHWBXSA-N 2 2 272.393 -0.380 20 0 CBADLP CON(C)C(=O)CC[NH2+][C@@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC001353315362 891401175 /nfs/dbraw/zinc/40/11/75/891401175.db2.gz JXMRNUKHLLFVEX-RYUDHWBXSA-N 2 2 272.393 -0.380 20 0 CBADLP CCN(C(=O)C(=O)N1CCn2c[nH+]cc2C1)[C@@H]1CC[NH2+]C1 ZINC001353361609 891412651 /nfs/dbraw/zinc/41/26/51/891412651.db2.gz QNCPJFXCTDBJTB-LLVKDONJSA-N 2 2 291.355 -0.564 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)NCCCCO)CC1 ZINC001353468476 891431153 /nfs/dbraw/zinc/43/11/53/891431153.db2.gz WMPDAMXFNLMQMX-UHFFFAOYSA-N 2 2 258.366 -0.519 20 0 CBADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1C[C@@H]1C[NH3+] ZINC001353591566 891450571 /nfs/dbraw/zinc/45/05/71/891450571.db2.gz PAYJCNAGIOQYKU-QJPTWQEYSA-N 2 2 254.378 -0.667 20 0 CBADLP CC(C)N(CC[N@H+](C)CC(N)=O)C(=O)C1CC[NH+](C)CC1 ZINC001449264711 913560240 /nfs/dbraw/zinc/56/02/40/913560240.db2.gz GMLYFHUWKKJHKJ-UHFFFAOYSA-N 2 2 298.431 -0.018 20 0 CBADLP CC(C)N(CC[N@@H+](C)CC(N)=O)C(=O)C1CC[NH+](C)CC1 ZINC001449264711 913560249 /nfs/dbraw/zinc/56/02/49/913560249.db2.gz GMLYFHUWKKJHKJ-UHFFFAOYSA-N 2 2 298.431 -0.018 20 0 CBADLP C[C@H](O)C[N@@H+]1CCN(c2cc[nH+]c(N)n2)[C@@H](C)C1 ZINC001354167923 891527299 /nfs/dbraw/zinc/52/72/99/891527299.db2.gz RHFNEVVDEYRCLL-UWVGGRQHSA-N 2 2 251.334 -0.050 20 0 CBADLP C[C@H](O)C[N@H+]1CCN(c2cc[nH+]c(N)n2)[C@@H](C)C1 ZINC001354167923 891527309 /nfs/dbraw/zinc/52/73/09/891527309.db2.gz RHFNEVVDEYRCLL-UWVGGRQHSA-N 2 2 251.334 -0.050 20 0 CBADLP [NH3+][C@@H](CC(=O)N1CCC[C@@H]([NH2+]CCO)C1)C(F)F ZINC001354438754 891581452 /nfs/dbraw/zinc/58/14/52/891581452.db2.gz ZINSPGPWSWVZDD-BDAKNGLRSA-N 2 2 265.304 -0.458 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)[C@H]2CCNC(=O)C2)CC1 ZINC001354770878 891615467 /nfs/dbraw/zinc/61/54/67/891615467.db2.gz JDQNNJQHXHJHHQ-JTQLQIEISA-N 2 2 268.361 -0.948 20 0 CBADLP [NH3+]CC1(C(=O)NCCCCn2cc[nH+]c2)CC(O)C1 ZINC001357366132 891876516 /nfs/dbraw/zinc/87/65/16/891876516.db2.gz DZLUVVSNCDDXEC-UHFFFAOYSA-N 2 2 266.345 -0.121 20 0 CBADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NC/C=C\C[NH3+] ZINC001357483558 891904521 /nfs/dbraw/zinc/90/45/21/891904521.db2.gz MAPVUKXYAHPFOF-VSQXVHSFSA-N 2 2 270.377 -0.089 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC001357533107 891909422 /nfs/dbraw/zinc/90/94/22/891909422.db2.gz VTEBTDQFSZCTQA-LLVKDONJSA-N 3 2 255.366 -0.929 20 0 CBADLP Cc1[nH+]ccn1CCCC(=O)N1CC[NH2+]C[C@@H]1CO ZINC001358028499 891960754 /nfs/dbraw/zinc/96/07/54/891960754.db2.gz NVCPNKMZVCCGLL-GFCCVEGCSA-N 2 2 266.345 -0.236 20 0 CBADLP CCOCCO[C@H](C)C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001358118096 891972708 /nfs/dbraw/zinc/97/27/08/891972708.db2.gz ABSZFVGQLWFQEH-GFCCVEGCSA-N 2 2 287.404 -0.033 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)[C@H]2[C@@H]3CC[NH2+]C[C@@H]32)CC1 ZINC001358110935 891973001 /nfs/dbraw/zinc/97/30/01/891973001.db2.gz DHQCVNXKTOMQHJ-AGIUHOORSA-N 3 2 266.389 -0.619 20 0 CBADLP C[C@H](NC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O)[C@H]1C[NH+](C)CCO1 ZINC001362104670 892436896 /nfs/dbraw/zinc/43/68/96/892436896.db2.gz MMUTVKWTUXJXLU-REWJHTLYSA-N 2 2 299.415 -0.333 20 0 CBADLP C[C@H](NC(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O)[C@H]1C[NH+](C)CCO1 ZINC001362104670 892436905 /nfs/dbraw/zinc/43/69/05/892436905.db2.gz MMUTVKWTUXJXLU-REWJHTLYSA-N 2 2 299.415 -0.333 20 0 CBADLP C[C@H](NC(=O)C[NH+](C)[C@@H]1CCC[C@H]1O)[C@H]1C[N@H+](C)CCO1 ZINC001362104670 892436910 /nfs/dbraw/zinc/43/69/10/892436910.db2.gz MMUTVKWTUXJXLU-REWJHTLYSA-N 2 2 299.415 -0.333 20 0 CBADLP C[C@H](NC(=O)C[NH+](C)[C@@H]1CCC[C@H]1O)[C@H]1C[N@@H+](C)CCO1 ZINC001362104670 892436916 /nfs/dbraw/zinc/43/69/16/892436916.db2.gz MMUTVKWTUXJXLU-REWJHTLYSA-N 2 2 299.415 -0.333 20 0 CBADLP C[NH+](C)C1(C(=O)NC2CC[NH+]([C@@H]3CCOC3=O)CC2)CC1 ZINC001362317975 892590210 /nfs/dbraw/zinc/59/02/10/892590210.db2.gz HOMAJHJHUYSJMW-GFCCVEGCSA-N 2 2 295.383 -0.023 20 0 CBADLP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CC[NH+]2C[C@@H](F)C[C@H]2C1 ZINC001362488955 892722884 /nfs/dbraw/zinc/72/28/84/892722884.db2.gz HHKIVRDRCRDSNM-MNXVOIDGSA-N 2 2 285.363 -0.304 20 0 CBADLP C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CC[NH+]2C[C@@H](F)C[C@H]2C1 ZINC001362488955 892722894 /nfs/dbraw/zinc/72/28/94/892722894.db2.gz HHKIVRDRCRDSNM-MNXVOIDGSA-N 2 2 285.363 -0.304 20 0 CBADLP C[NH+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CC[N@@H+]2C[C@@H](F)C[C@H]2C1 ZINC001362488955 892722903 /nfs/dbraw/zinc/72/29/03/892722903.db2.gz HHKIVRDRCRDSNM-MNXVOIDGSA-N 2 2 285.363 -0.304 20 0 CBADLP C[NH+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CC[N@H+]2C[C@@H](F)C[C@H]2C1 ZINC001362488955 892722911 /nfs/dbraw/zinc/72/29/11/892722911.db2.gz HHKIVRDRCRDSNM-MNXVOIDGSA-N 2 2 285.363 -0.304 20 0 CBADLP C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)Cc1c[nH+]cn1C ZINC001362790341 893032398 /nfs/dbraw/zinc/03/23/98/893032398.db2.gz OJMZHZNYYLXYAS-NWDGAFQWSA-N 2 2 280.372 -0.124 20 0 CBADLP C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)Cc1c[nH+]cn1C ZINC001362790341 893032416 /nfs/dbraw/zinc/03/24/16/893032416.db2.gz OJMZHZNYYLXYAS-NWDGAFQWSA-N 2 2 280.372 -0.124 20 0 CBADLP CC[N@@H+]1CC[C@H]1C(=O)NCC(=O)NCC[NH+]1CCCCC1 ZINC001362822054 893074798 /nfs/dbraw/zinc/07/47/98/893074798.db2.gz GKPBQZNQVJUBNW-ZDUSSCGKSA-N 2 2 296.415 -0.201 20 0 CBADLP CC[N@H+]1CC[C@H]1C(=O)NCC(=O)NCC[NH+]1CCCCC1 ZINC001362822054 893074814 /nfs/dbraw/zinc/07/48/14/893074814.db2.gz GKPBQZNQVJUBNW-ZDUSSCGKSA-N 2 2 296.415 -0.201 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001362940880 893189873 /nfs/dbraw/zinc/18/98/73/893189873.db2.gz WAJCTGIHVCWZEE-OLZOCXBDSA-N 2 2 298.431 -0.112 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001362940880 893189880 /nfs/dbraw/zinc/18/98/80/893189880.db2.gz WAJCTGIHVCWZEE-OLZOCXBDSA-N 2 2 298.431 -0.112 20 0 CBADLP C[C@H](C(=O)NCC[NH+]1CCC(O)CC1)N1CC[NH+](C)CC1 ZINC001363250250 893495550 /nfs/dbraw/zinc/49/55/50/893495550.db2.gz AZOXRKZCKUCOSC-CYBMUJFWSA-N 2 2 298.431 -0.805 20 0 CBADLP C[C@H](C[NH2+]Cc1cn(CC(N)=O)nn1)Cn1cc[nH+]c1 ZINC001363368929 893620725 /nfs/dbraw/zinc/62/07/25/893620725.db2.gz KLCYYWFTBREHBO-SNVBAGLBSA-N 2 2 277.332 -0.614 20 0 CBADLP C[C@@H](C(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1)[NH+](C)C ZINC001363394380 893640754 /nfs/dbraw/zinc/64/07/54/893640754.db2.gz ABHZZAIULUJYHT-LBPRGKRZSA-N 2 2 284.404 -0.441 20 0 CBADLP C[C@@H](C(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1)[NH+](C)C ZINC001363394380 893640761 /nfs/dbraw/zinc/64/07/61/893640761.db2.gz ABHZZAIULUJYHT-LBPRGKRZSA-N 2 2 284.404 -0.441 20 0 CBADLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(=O)n3nc(N)[nH]c3n2)C1 ZINC001363786046 893991311 /nfs/dbraw/zinc/99/13/11/893991311.db2.gz ONHDFOFEKCQGRI-SECBINFHSA-N 2 2 291.359 -0.617 20 0 CBADLP CNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)CC[NH+](C)C)CC1 ZINC001364181981 894237096 /nfs/dbraw/zinc/23/70/96/894237096.db2.gz MDCKIOBCHVUDLP-CYBMUJFWSA-N 2 2 298.431 -0.146 20 0 CBADLP CNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C)CC[NH+](C)C)CC1 ZINC001364181981 894237108 /nfs/dbraw/zinc/23/71/08/894237108.db2.gz MDCKIOBCHVUDLP-CYBMUJFWSA-N 2 2 298.431 -0.146 20 0 CBADLP C[C@H]1C[N@H+](CCN2CC[NH+](CCO)C[C@@H]2C)CCO1 ZINC001364445993 894428948 /nfs/dbraw/zinc/42/89/48/894428948.db2.gz NMYOFDGMZJBKNX-KBPBESRZSA-N 2 2 271.405 -0.295 20 0 CBADLP C[C@H]1C[N@@H+](CCN2CC[NH+](CCO)C[C@@H]2C)CCO1 ZINC001364445993 894428967 /nfs/dbraw/zinc/42/89/67/894428967.db2.gz NMYOFDGMZJBKNX-KBPBESRZSA-N 2 2 271.405 -0.295 20 0 CBADLP C[C@H]1C[NH+](CCN2CC[N@H+](CCO)C[C@@H]2C)CCO1 ZINC001364445993 894428977 /nfs/dbraw/zinc/42/89/77/894428977.db2.gz NMYOFDGMZJBKNX-KBPBESRZSA-N 2 2 271.405 -0.295 20 0 CBADLP C[C@H]1C[NH+](CCN2CC[N@@H+](CCO)C[C@@H]2C)CCO1 ZINC001364445993 894428989 /nfs/dbraw/zinc/42/89/89/894428989.db2.gz NMYOFDGMZJBKNX-KBPBESRZSA-N 2 2 271.405 -0.295 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2C(=O)OC[C@@H]2C1 ZINC001364486911 894453720 /nfs/dbraw/zinc/45/37/20/894453720.db2.gz NASNIDPHPCSJED-SRVKXCTJSA-N 2 2 272.345 -0.970 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H]2C(=O)OC[C@@H]2C1 ZINC001364486911 894453728 /nfs/dbraw/zinc/45/37/28/894453728.db2.gz NASNIDPHPCSJED-SRVKXCTJSA-N 2 2 272.345 -0.970 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H]2C(=O)OC[C@@H]2C1 ZINC001364486911 894453737 /nfs/dbraw/zinc/45/37/37/894453737.db2.gz NASNIDPHPCSJED-SRVKXCTJSA-N 2 2 272.345 -0.970 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H]2C(=O)OC[C@@H]2C1 ZINC001364486911 894453741 /nfs/dbraw/zinc/45/37/41/894453741.db2.gz NASNIDPHPCSJED-SRVKXCTJSA-N 2 2 272.345 -0.970 20 0 CBADLP CCc1[nH]c(CNC(=O)[C@H]2C[N@@H+]3CCN2C[C@H]3C)c[nH+]1 ZINC001364949226 894695197 /nfs/dbraw/zinc/69/51/97/894695197.db2.gz OQPNHHUGKYOXFV-ZYHUDNBSSA-N 2 2 277.372 -0.023 20 0 CBADLP CCc1[nH]c(CNC(=O)[C@H]2C[N@H+]3CCN2C[C@H]3C)c[nH+]1 ZINC001364949226 894695204 /nfs/dbraw/zinc/69/52/04/894695204.db2.gz OQPNHHUGKYOXFV-ZYHUDNBSSA-N 2 2 277.372 -0.023 20 0 CBADLP CCc1[nH]cc(CNC(=O)[C@H]2C[N@@H+]3CCN2C[C@H]3C)[nH+]1 ZINC001364949226 894695212 /nfs/dbraw/zinc/69/52/12/894695212.db2.gz OQPNHHUGKYOXFV-ZYHUDNBSSA-N 2 2 277.372 -0.023 20 0 CBADLP CCc1[nH]cc(CNC(=O)[C@H]2C[N@H+]3CCN2C[C@H]3C)[nH+]1 ZINC001364949226 894695217 /nfs/dbraw/zinc/69/52/17/894695217.db2.gz OQPNHHUGKYOXFV-ZYHUDNBSSA-N 2 2 277.372 -0.023 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC([NH2+]C2COC2)C1 ZINC001365051518 894736739 /nfs/dbraw/zinc/73/67/39/894736739.db2.gz YLSUKSMCVNMKRV-NSHDSACASA-N 2 2 283.372 -0.846 20 0 CBADLP C[NH+](C)C[C@H]1CCCN1S(=O)(=O)N1CC[NH+](C)CC1 ZINC001365133754 894776504 /nfs/dbraw/zinc/77/65/04/894776504.db2.gz HWMPUDDNAOUNLT-GFCCVEGCSA-N 2 2 290.433 -0.495 20 0 CBADLP C[C@@H]1CC[N@H+](CC(=O)NCC(=O)N2CC[NH+](C)CC2)C1 ZINC001365183186 894802711 /nfs/dbraw/zinc/80/27/11/894802711.db2.gz NJOYYEKNMSRCSK-GFCCVEGCSA-N 2 2 282.388 -0.782 20 0 CBADLP C[C@@H]1CC[N@@H+](CC(=O)NCC(=O)N2CC[NH+](C)CC2)C1 ZINC001365183186 894802722 /nfs/dbraw/zinc/80/27/22/894802722.db2.gz NJOYYEKNMSRCSK-GFCCVEGCSA-N 2 2 282.388 -0.782 20 0 CBADLP COC[C@H](O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)Cn1cc[nH+]c1 ZINC001365804909 895126024 /nfs/dbraw/zinc/12/60/24/895126024.db2.gz NNCHBWGLYSSRMW-CHWSQXEVSA-N 2 2 296.371 -0.577 20 0 CBADLP COC[C@H](O)C[N@H+]1CC[C@@H]1CN(C)C(=O)Cn1cc[nH+]c1 ZINC001365804909 895126029 /nfs/dbraw/zinc/12/60/29/895126029.db2.gz NNCHBWGLYSSRMW-CHWSQXEVSA-N 2 2 296.371 -0.577 20 0 CBADLP COC[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H]1C ZINC001365900991 895137758 /nfs/dbraw/zinc/13/77/58/895137758.db2.gz YTPKFFNWRBGQEK-AGIUHOORSA-N 2 2 296.371 -0.531 20 0 CBADLP COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H]1C ZINC001365900991 895137773 /nfs/dbraw/zinc/13/77/73/895137773.db2.gz YTPKFFNWRBGQEK-AGIUHOORSA-N 2 2 296.371 -0.531 20 0 CBADLP CC[C@H](C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1)[NH+](C)C ZINC001365940566 895144540 /nfs/dbraw/zinc/14/45/40/895144540.db2.gz PTVKQIBCYKDLBG-GHMZBOCLSA-N 2 2 270.377 -0.608 20 0 CBADLP CC[C@H](C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1)[NH+](C)C ZINC001365940566 895144543 /nfs/dbraw/zinc/14/45/43/895144543.db2.gz PTVKQIBCYKDLBG-GHMZBOCLSA-N 2 2 270.377 -0.608 20 0 CBADLP CCC[N@H+](C)CC(=O)N[C@H]1CCC[NH+](CC(N)=O)C1 ZINC001365960541 895153615 /nfs/dbraw/zinc/15/36/15/895153615.db2.gz YEYXSLDVKJJROI-NSHDSACASA-N 2 2 270.377 -0.606 20 0 CBADLP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[NH+](CC(N)=O)C1 ZINC001365960541 895153619 /nfs/dbraw/zinc/15/36/19/895153619.db2.gz YEYXSLDVKJJROI-NSHDSACASA-N 2 2 270.377 -0.606 20 0 CBADLP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001365960541 895153622 /nfs/dbraw/zinc/15/36/22/895153622.db2.gz YEYXSLDVKJJROI-NSHDSACASA-N 2 2 270.377 -0.606 20 0 CBADLP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001365960541 895153625 /nfs/dbraw/zinc/15/36/25/895153625.db2.gz YEYXSLDVKJJROI-NSHDSACASA-N 2 2 270.377 -0.606 20 0 CBADLP CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001365999674 895170355 /nfs/dbraw/zinc/17/03/55/895170355.db2.gz WCTLVQJETXSSAF-GXTWGEPZSA-N 2 2 298.431 -0.101 20 0 CBADLP CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001365999674 895170365 /nfs/dbraw/zinc/17/03/65/895170365.db2.gz WCTLVQJETXSSAF-GXTWGEPZSA-N 2 2 298.431 -0.101 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+]([C@@H](C)C(N)=O)C1 ZINC001366006759 895170493 /nfs/dbraw/zinc/17/04/93/895170493.db2.gz VZDCIEJFEUEFNA-WDEREUQCSA-N 2 2 270.377 -0.609 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[NH+]([C@@H](C)C(N)=O)C1 ZINC001366006759 895170500 /nfs/dbraw/zinc/17/05/00/895170500.db2.gz VZDCIEJFEUEFNA-WDEREUQCSA-N 2 2 270.377 -0.609 20 0 CBADLP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001366006759 895170506 /nfs/dbraw/zinc/17/05/06/895170506.db2.gz VZDCIEJFEUEFNA-WDEREUQCSA-N 2 2 270.377 -0.609 20 0 CBADLP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001366006759 895170512 /nfs/dbraw/zinc/17/05/12/895170512.db2.gz VZDCIEJFEUEFNA-WDEREUQCSA-N 2 2 270.377 -0.609 20 0 CBADLP CC(C)NC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001366106000 895191380 /nfs/dbraw/zinc/19/13/80/895191380.db2.gz ZGAVVKKZRYRCLG-NSHDSACASA-N 2 2 293.371 -0.333 20 0 CBADLP C[C@H]([NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1)C(=O)N(C)C ZINC001366103756 895192004 /nfs/dbraw/zinc/19/20/04/895192004.db2.gz IYXDHTQRZMXETD-QWRGUYRKSA-N 2 2 293.371 -0.381 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001366124133 895198324 /nfs/dbraw/zinc/19/83/24/895198324.db2.gz JILDMZNUKAHIGE-OPRDCNLKSA-N 2 2 279.344 -0.677 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001366136981 895199760 /nfs/dbraw/zinc/19/97/60/895199760.db2.gz UYJCRZPMLHLBLH-GMTAPVOTSA-N 2 2 293.371 -0.666 20 0 CBADLP NC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001366209879 895221257 /nfs/dbraw/zinc/22/12/57/895221257.db2.gz VLUQVVKYPDWZJU-NSHDSACASA-N 2 2 279.344 -0.803 20 0 CBADLP C[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+]CC(=O)N(C)C ZINC001366280840 895258112 /nfs/dbraw/zinc/25/81/12/895258112.db2.gz BEDHINZNUNXQFB-JTQLQIEISA-N 2 2 281.360 -0.475 20 0 CBADLP C[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH2+]CC(=O)N(C)C ZINC001366280840 895258121 /nfs/dbraw/zinc/25/81/21/895258121.db2.gz BEDHINZNUNXQFB-JTQLQIEISA-N 2 2 281.360 -0.475 20 0 CBADLP CC[C@H]([NH2+][C@@H](C)CNC(=O)CCc1[nH+]ccn1C)C(N)=O ZINC001366305423 895268516 /nfs/dbraw/zinc/26/85/16/895268516.db2.gz HLRRUADCGMNSKV-QWRGUYRKSA-N 2 2 295.387 -0.289 20 0 CBADLP CCCNC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001366335770 895284495 /nfs/dbraw/zinc/28/44/95/895284495.db2.gz CDLNJOPYQSRKAI-WDEREUQCSA-N 2 2 295.387 -0.039 20 0 CBADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CCc1ccnn1C ZINC001366373426 895298772 /nfs/dbraw/zinc/29/87/72/895298772.db2.gz NROOPEJLKUBFKX-GFCCVEGCSA-N 2 2 290.371 -0.046 20 0 CBADLP CNC(=O)C[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001366391500 895305372 /nfs/dbraw/zinc/30/53/72/895305372.db2.gz VVRKRBLRGIGFSX-NSHDSACASA-N 2 2 293.371 -0.711 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001366396363 895310661 /nfs/dbraw/zinc/31/06/61/895310661.db2.gz SRDKPNXDJJDBSH-NEPJUHHUSA-N 2 2 293.371 -0.402 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCC[C@@H](C)[NH2+]CC(=O)N(C)C ZINC001366496056 895333600 /nfs/dbraw/zinc/33/36/00/895333600.db2.gz HBJWNTOKQQNZNK-SNVBAGLBSA-N 2 2 295.387 -0.167 20 0 CBADLP CCCNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001366516124 895348329 /nfs/dbraw/zinc/34/83/29/895348329.db2.gz ACIITVWQVVJXSB-LBPRGKRZSA-N 2 2 284.404 -0.345 20 0 CBADLP CCCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001366516124 895348345 /nfs/dbraw/zinc/34/83/45/895348345.db2.gz ACIITVWQVVJXSB-LBPRGKRZSA-N 2 2 284.404 -0.345 20 0 CBADLP CCCNC(=O)C[NH+](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001366516124 895348359 /nfs/dbraw/zinc/34/83/59/895348359.db2.gz ACIITVWQVVJXSB-LBPRGKRZSA-N 2 2 284.404 -0.345 20 0 CBADLP CCCNC(=O)C[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001366516124 895348376 /nfs/dbraw/zinc/34/83/76/895348376.db2.gz ACIITVWQVVJXSB-LBPRGKRZSA-N 2 2 284.404 -0.345 20 0 CBADLP CNC(=O)C[N@H+](C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001366534347 895363059 /nfs/dbraw/zinc/36/30/59/895363059.db2.gz BOWOUOXJRBWMQJ-UHFFFAOYSA-N 2 2 270.377 -0.735 20 0 CBADLP CNC(=O)C[N@@H+](C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001366534347 895363070 /nfs/dbraw/zinc/36/30/70/895363070.db2.gz BOWOUOXJRBWMQJ-UHFFFAOYSA-N 2 2 270.377 -0.735 20 0 CBADLP C[C@H]1C[C@@H](C(=O)NCC[NH+](C)CC(=O)N(C)C)CC[N@@H+]1C ZINC001366564716 895382416 /nfs/dbraw/zinc/38/24/16/895382416.db2.gz PBXRAJOAHMUZRZ-STQMWFEESA-N 2 2 298.431 -0.147 20 0 CBADLP C[C@H]1C[C@@H](C(=O)NCC[NH+](C)CC(=O)N(C)C)CC[N@H+]1C ZINC001366564716 895382429 /nfs/dbraw/zinc/38/24/29/895382429.db2.gz PBXRAJOAHMUZRZ-STQMWFEESA-N 2 2 298.431 -0.147 20 0 CBADLP C[C@H]1C[C@@H](C(=O)NCC[N@H+](C)CC(=O)N(C)C)CC[NH+]1C ZINC001366564716 895382445 /nfs/dbraw/zinc/38/24/45/895382445.db2.gz PBXRAJOAHMUZRZ-STQMWFEESA-N 2 2 298.431 -0.147 20 0 CBADLP C[C@H]1C[C@@H](C(=O)NCC[N@@H+](C)CC(=O)N(C)C)CC[NH+]1C ZINC001366564716 895382460 /nfs/dbraw/zinc/38/24/60/895382460.db2.gz PBXRAJOAHMUZRZ-STQMWFEESA-N 2 2 298.431 -0.147 20 0 CBADLP CNC(=O)C[N@H+](C)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001366587738 895393951 /nfs/dbraw/zinc/39/39/51/895393951.db2.gz YDUFEOIDEAOWNZ-LLVKDONJSA-N 2 2 270.377 -0.878 20 0 CBADLP CNC(=O)C[N@@H+](C)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001366587738 895393962 /nfs/dbraw/zinc/39/39/62/895393962.db2.gz YDUFEOIDEAOWNZ-LLVKDONJSA-N 2 2 270.377 -0.878 20 0 CBADLP CNC(=O)C[NH+](C)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001366587738 895393976 /nfs/dbraw/zinc/39/39/76/895393976.db2.gz YDUFEOIDEAOWNZ-LLVKDONJSA-N 2 2 270.377 -0.878 20 0 CBADLP CNC(=O)C[NH+](C)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001366587738 895393989 /nfs/dbraw/zinc/39/39/89/895393989.db2.gz YDUFEOIDEAOWNZ-LLVKDONJSA-N 2 2 270.377 -0.878 20 0 CBADLP CC[N@H+](CCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)CC(N)=O ZINC001366611938 895410055 /nfs/dbraw/zinc/41/00/55/895410055.db2.gz GTQVPRNQIHUZPY-OLZOCXBDSA-N 2 2 296.415 -0.073 20 0 CBADLP CC[N@@H+](CCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)CC(N)=O ZINC001366611938 895410060 /nfs/dbraw/zinc/41/00/60/895410060.db2.gz GTQVPRNQIHUZPY-OLZOCXBDSA-N 2 2 296.415 -0.073 20 0 CBADLP CC[NH+](CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)CC(N)=O ZINC001366611938 895410067 /nfs/dbraw/zinc/41/00/67/895410067.db2.gz GTQVPRNQIHUZPY-OLZOCXBDSA-N 2 2 296.415 -0.073 20 0 CBADLP CC[NH+](CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21)CC(N)=O ZINC001366611938 895410073 /nfs/dbraw/zinc/41/00/73/895410073.db2.gz GTQVPRNQIHUZPY-OLZOCXBDSA-N 2 2 296.415 -0.073 20 0 CBADLP CC(C)[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1CC(N)=O)[NH+](C)C ZINC001366653383 895422826 /nfs/dbraw/zinc/42/28/26/895422826.db2.gz RMCVWDVJLYIZHS-AAEUAGOBSA-N 2 2 284.404 -0.362 20 0 CBADLP CC1CC[NH+](CC(=O)NC[C@H]2CCC[N@@H+]2CC(N)=O)CC1 ZINC001366672198 895427007 /nfs/dbraw/zinc/42/70/07/895427007.db2.gz KABRESLRQYWYFK-CYBMUJFWSA-N 2 2 296.415 -0.216 20 0 CBADLP CC1CC[NH+](CC(=O)NC[C@H]2CCC[N@H+]2CC(N)=O)CC1 ZINC001366672198 895427014 /nfs/dbraw/zinc/42/70/14/895427014.db2.gz KABRESLRQYWYFK-CYBMUJFWSA-N 2 2 296.415 -0.216 20 0 CBADLP CNC(=O)[C@H](C)[NH+]1CC(CNC(=O)C[NH+]2CCCC2)C1 ZINC001366987595 895515773 /nfs/dbraw/zinc/51/57/73/895515773.db2.gz FOINAZWWDLSZKT-NSHDSACASA-N 2 2 282.388 -0.735 20 0 CBADLP CC[N@H+](C)CCC(=O)NCC1C[NH+](CC(=O)NC(C)C)C1 ZINC001366984319 895517009 /nfs/dbraw/zinc/51/70/09/895517009.db2.gz WOQWQVFHRHXPPI-UHFFFAOYSA-N 2 2 298.431 -0.099 20 0 CBADLP CC[N@@H+](C)CCC(=O)NCC1C[NH+](CC(=O)NC(C)C)C1 ZINC001366984319 895517023 /nfs/dbraw/zinc/51/70/23/895517023.db2.gz WOQWQVFHRHXPPI-UHFFFAOYSA-N 2 2 298.431 -0.099 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+](C)C(C)C ZINC001366999018 895522710 /nfs/dbraw/zinc/52/27/10/895522710.db2.gz GSAFODAJQUTVJV-RWMBFGLXSA-N 2 2 296.415 -0.124 20 0 CBADLP CC[C@H](C(N)=O)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+](C)C(C)C ZINC001366999018 895522717 /nfs/dbraw/zinc/52/27/17/895522717.db2.gz GSAFODAJQUTVJV-RWMBFGLXSA-N 2 2 296.415 -0.124 20 0 CBADLP CC[C@H](C(N)=O)[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@H+](C)C(C)C ZINC001366999018 895522723 /nfs/dbraw/zinc/52/27/23/895522723.db2.gz GSAFODAJQUTVJV-RWMBFGLXSA-N 2 2 296.415 -0.124 20 0 CBADLP CC[C@H](C(N)=O)[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+](C)C(C)C ZINC001366999018 895522728 /nfs/dbraw/zinc/52/27/28/895522728.db2.gz GSAFODAJQUTVJV-RWMBFGLXSA-N 2 2 296.415 -0.124 20 0 CBADLP CCN(C(=O)C1(C[NH+](C)C)CC1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001367065102 895551024 /nfs/dbraw/zinc/55/10/24/895551024.db2.gz AZNXSTBBBHXCHI-LBPRGKRZSA-N 2 2 296.415 -0.264 20 0 CBADLP CCN(C(=O)C1(C[NH+](C)C)CC1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001367065102 895551041 /nfs/dbraw/zinc/55/10/41/895551041.db2.gz AZNXSTBBBHXCHI-LBPRGKRZSA-N 2 2 296.415 -0.264 20 0 CBADLP CC[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]Cc1ccon1 ZINC001367092145 895562603 /nfs/dbraw/zinc/56/26/03/895562603.db2.gz WGZCIBMYIDOAHO-DGCLKSJQSA-N 2 2 296.371 -0.010 20 0 CBADLP CC[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]Cc1ccon1 ZINC001367092145 895562612 /nfs/dbraw/zinc/56/26/12/895562612.db2.gz WGZCIBMYIDOAHO-DGCLKSJQSA-N 2 2 296.371 -0.010 20 0 CBADLP CC[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CC(=O)N(C)C ZINC001367155092 895578860 /nfs/dbraw/zinc/57/88/60/895578860.db2.gz UPZFKZVHNKHSPT-LLVKDONJSA-N 2 2 281.360 -0.544 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@](C)(C[NH2+]CC(N)=O)C1CC1 ZINC001367229643 895585915 /nfs/dbraw/zinc/58/59/15/895585915.db2.gz JIRLSLSAYQLCNV-AWEZNQCLSA-N 2 2 293.371 -0.380 20 0 CBADLP CC[C@H](C(=O)NC[C@H]1C[N@H+](CCO)CCO1)[NH+](C)C ZINC001367320509 895613336 /nfs/dbraw/zinc/61/33/36/895613336.db2.gz UIDPAGPPQOVMAP-NWDGAFQWSA-N 2 2 273.377 -0.864 20 0 CBADLP CC[C@H](C(=O)NC[C@H]1C[N@@H+](CCO)CCO1)[NH+](C)C ZINC001367320509 895613342 /nfs/dbraw/zinc/61/33/42/895613342.db2.gz UIDPAGPPQOVMAP-NWDGAFQWSA-N 2 2 273.377 -0.864 20 0 CBADLP Cc1nonc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001367579784 895679064 /nfs/dbraw/zinc/67/90/64/895679064.db2.gz LLJOYBWHDXVXHL-ZYHUDNBSSA-N 2 2 297.359 -0.961 20 0 CBADLP Cc1nonc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001367579784 895679068 /nfs/dbraw/zinc/67/90/68/895679068.db2.gz LLJOYBWHDXVXHL-ZYHUDNBSSA-N 2 2 297.359 -0.961 20 0 CBADLP COC[C@H](C)[NH2+]C[C@@H](O)CNC(=O)Cc1c[nH+]cn1C ZINC001367617680 895706104 /nfs/dbraw/zinc/70/61/04/895706104.db2.gz GEXFNKRNLHWBLD-CMPLNLGQSA-N 2 2 284.360 -0.936 20 0 CBADLP Cc1noc(C[NH2+]C[C@H](O)CNC(=O)C[NH+]2CCCC2)n1 ZINC001367623324 895710607 /nfs/dbraw/zinc/71/06/07/895710607.db2.gz JSZLUGNVNIGSQK-NSHDSACASA-N 2 2 297.359 -0.959 20 0 CBADLP Cc1nc(C[NH2+]C[C@H](O)CNC(=O)C[NH+]2CCCC2)co1 ZINC001367628599 895713862 /nfs/dbraw/zinc/71/38/62/895713862.db2.gz VLEHSGXLGWDLAR-ZDUSSCGKSA-N 2 2 296.371 -0.354 20 0 CBADLP CCN(CC[NH2+][C@@H]1CCCNC1=O)C(=O)Cc1c[nH+]c[nH]1 ZINC001367662053 895727986 /nfs/dbraw/zinc/72/79/86/895727986.db2.gz ZRGPUYIUHBOOIL-GFCCVEGCSA-N 2 2 293.371 -0.331 20 0 CBADLP C[C@H](C[NH2+]CC(=O)N1CCC1)NC(=O)CCn1cc[nH+]c1 ZINC001367689679 895749842 /nfs/dbraw/zinc/74/98/42/895749842.db2.gz DJUCWBPTTHBFFN-GFCCVEGCSA-N 2 2 293.371 -0.400 20 0 CBADLP CC(C)NC(=O)C[NH2+]C[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001367702806 895756533 /nfs/dbraw/zinc/75/65/33/895756533.db2.gz CIEAILJKMQQVLH-SNVBAGLBSA-N 2 2 281.360 -0.429 20 0 CBADLP NC(=O)C[NH2+]C[C@H]1CCCC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001367858346 895833495 /nfs/dbraw/zinc/83/34/95/895833495.db2.gz CNMXADIUULFJFP-ZYHUDNBSSA-N 2 2 293.371 -0.298 20 0 CBADLP C[C@H](C[N@H+](C)[C@@H](C)C(N)=O)NC(=O)CCCn1cc[nH+]c1 ZINC001367870862 895839813 /nfs/dbraw/zinc/83/98/13/895839813.db2.gz UZZATSMZFVSTAO-NEPJUHHUSA-N 2 2 295.387 -0.026 20 0 CBADLP C[C@H](C[N@@H+](C)[C@@H](C)C(N)=O)NC(=O)CCCn1cc[nH+]c1 ZINC001367870862 895839819 /nfs/dbraw/zinc/83/98/19/895839819.db2.gz UZZATSMZFVSTAO-NEPJUHHUSA-N 2 2 295.387 -0.026 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)NC[C@@H]1CC[N@@H+]1CCCO ZINC001367972447 895874676 /nfs/dbraw/zinc/87/46/76/895874676.db2.gz LDANRTXRCKYCTJ-ZDUSSCGKSA-N 2 2 280.372 -0.074 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)NC[C@@H]1CC[N@H+]1CCCO ZINC001367972447 895874685 /nfs/dbraw/zinc/87/46/85/895874685.db2.gz LDANRTXRCKYCTJ-ZDUSSCGKSA-N 2 2 280.372 -0.074 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NCC1([NH2+][C@H]2CCNC2=O)CC1 ZINC001368022140 895892761 /nfs/dbraw/zinc/89/27/61/895892761.db2.gz ZHJFTVBTGTUNBH-JTQLQIEISA-N 2 2 277.328 -0.921 20 0 CBADLP CNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001368104989 895914238 /nfs/dbraw/zinc/91/42/38/895914238.db2.gz GDTDKRWIDFLWPL-LLVKDONJSA-N 2 2 279.344 -0.721 20 0 CBADLP CC[N@H+](C)CCC(=O)NC[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001452668088 914016003 /nfs/dbraw/zinc/01/60/03/914016003.db2.gz LSLDAVGIDGHBCD-LLVKDONJSA-N 2 2 295.387 -0.085 20 0 CBADLP CC[N@@H+](C)CCC(=O)NC[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001452668088 914016023 /nfs/dbraw/zinc/01/60/23/914016023.db2.gz LSLDAVGIDGHBCD-LLVKDONJSA-N 2 2 295.387 -0.085 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+]1CC[C@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001368170629 895931208 /nfs/dbraw/zinc/93/12/08/895931208.db2.gz MKOLVBQOIJPYFQ-WFASDCNBSA-N 2 2 296.415 -0.073 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+]1CC[C@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001368170629 895931214 /nfs/dbraw/zinc/93/12/14/895931214.db2.gz MKOLVBQOIJPYFQ-WFASDCNBSA-N 2 2 296.415 -0.073 20 0 CBADLP CN(C[C@H]1CC[N@@H+]1CCCO)C(=O)Cc1c[nH+]cn1C ZINC001368426783 896007477 /nfs/dbraw/zinc/00/74/77/896007477.db2.gz CVGMYPNNIWLULH-GFCCVEGCSA-N 2 2 280.372 -0.122 20 0 CBADLP CN(C[C@H]1CC[N@H+]1CCCO)C(=O)Cc1c[nH+]cn1C ZINC001368426783 896007490 /nfs/dbraw/zinc/00/74/90/896007490.db2.gz CVGMYPNNIWLULH-GFCCVEGCSA-N 2 2 280.372 -0.122 20 0 CBADLP C[NH+](C)CCCC(=O)NC[C@@H]1COCC[N@H+]1CCCO ZINC001368446907 896010385 /nfs/dbraw/zinc/01/03/85/896010385.db2.gz SYDQZGLRUPWONW-CYBMUJFWSA-N 2 2 287.404 -0.472 20 0 CBADLP C[NH+](C)CCCC(=O)NC[C@@H]1COCC[N@@H+]1CCCO ZINC001368446907 896010374 /nfs/dbraw/zinc/01/03/74/896010374.db2.gz SYDQZGLRUPWONW-CYBMUJFWSA-N 2 2 287.404 -0.472 20 0 CBADLP CC[N@@H+]1CCOC[C@@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001368451528 896012523 /nfs/dbraw/zinc/01/25/23/896012523.db2.gz KERNPHBRDVVABC-ZDUSSCGKSA-N 2 2 299.415 -0.066 20 0 CBADLP CC[N@H+]1CCOC[C@@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001368451528 896012534 /nfs/dbraw/zinc/01/25/34/896012534.db2.gz KERNPHBRDVVABC-ZDUSSCGKSA-N 2 2 299.415 -0.066 20 0 CBADLP COC[C@H](O)C[NH2+]C1(CNC(=O)Cc2[nH]cc[nH+]2)CCC1 ZINC001368486971 896020032 /nfs/dbraw/zinc/02/00/32/896020032.db2.gz JAFJAIUOLCOGAZ-LLVKDONJSA-N 2 2 296.371 -0.412 20 0 CBADLP CO[C@@H](C)C[NH2+]C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001368506951 896021400 /nfs/dbraw/zinc/02/14/00/896021400.db2.gz GRVQCCQNYAZFPC-RYUDHWBXSA-N 2 2 296.371 -0.196 20 0 CBADLP C[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CCO1 ZINC001368511617 896025155 /nfs/dbraw/zinc/02/51/55/896025155.db2.gz VMDDLUGLWGKMHN-CHWSQXEVSA-N 2 2 296.371 -0.529 20 0 CBADLP C[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)Cc2c[nH+]cn2C)C1)C(N)=O ZINC001368604618 896043716 /nfs/dbraw/zinc/04/37/16/896043716.db2.gz HZIFUPVWBGIDEX-GMTAPVOTSA-N 2 2 293.371 -0.679 20 0 CBADLP CO[C@H](C)C[NH+]1CC2(C1)C[C@H](NC(=O)CC[NH+](C)C)CO2 ZINC001368596724 896043904 /nfs/dbraw/zinc/04/39/04/896043904.db2.gz MHYYSBZTGOCZBC-OLZOCXBDSA-N 2 2 299.415 -0.068 20 0 CBADLP C[NH+](C)CCCC(=O)N[C@H]1COC2(C[NH+](CCCO)C2)C1 ZINC001368605286 896044464 /nfs/dbraw/zinc/04/44/64/896044464.db2.gz YQHQYOGSIKHWIR-CYBMUJFWSA-N 2 2 299.415 -0.330 20 0 CBADLP CNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001368642153 896051237 /nfs/dbraw/zinc/05/12/37/896051237.db2.gz QPOLMRAIUPQSDI-WDEREUQCSA-N 2 2 293.371 -0.427 20 0 CBADLP C[C@@H](NC(=O)c1cc(C[NH+](C)C)on1)[C@@H](C)[NH2+]CC(N)=O ZINC001368860973 896101469 /nfs/dbraw/zinc/10/14/69/896101469.db2.gz HYDSOXNTOBXFDH-RKDXNWHRSA-N 2 2 297.359 -0.682 20 0 CBADLP CCNC(=O)C[N@H+](C)[C@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001368969559 896123675 /nfs/dbraw/zinc/12/36/75/896123675.db2.gz WBIJTIOGGWGQNR-LLVKDONJSA-N 2 2 295.387 -0.236 20 0 CBADLP CCNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001368969559 896123681 /nfs/dbraw/zinc/12/36/81/896123681.db2.gz WBIJTIOGGWGQNR-LLVKDONJSA-N 2 2 295.387 -0.236 20 0 CBADLP CC[N@H+](C)CCC(=O)NC1(CCO)C[NH+](C[C@@H](C)O)C1 ZINC001369044681 896142211 /nfs/dbraw/zinc/14/22/11/896142211.db2.gz ZSDUFYWXKXYODA-GFCCVEGCSA-N 2 2 287.404 -0.738 20 0 CBADLP CC[N@@H+](C)CCC(=O)NC1(CCO)C[NH+](C[C@@H](C)O)C1 ZINC001369044681 896142218 /nfs/dbraw/zinc/14/22/18/896142218.db2.gz ZSDUFYWXKXYODA-GFCCVEGCSA-N 2 2 287.404 -0.738 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@@H](C)C1C[NH+](CC(N)=O)C1 ZINC001369098906 896152421 /nfs/dbraw/zinc/15/24/21/896152421.db2.gz GHMFEMDFETYVGV-VIFPVBQESA-N 2 2 279.344 -0.887 20 0 CBADLP CC(C)[C@@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+][C@H](C)C(N)=O ZINC001369198382 896168198 /nfs/dbraw/zinc/16/81/98/896168198.db2.gz JJLXYPBHZPWPML-VXGBXAGGSA-N 2 2 295.387 -0.123 20 0 CBADLP C[C@H]([NH2+]C[C@@H](C1CC1)N(C)C(=O)Cc1c[nH+]c[nH]1)C(N)=O ZINC001369215426 896170389 /nfs/dbraw/zinc/17/03/89/896170389.db2.gz HXYKHDOLIPKESD-CABZTGNLSA-N 2 2 293.371 -0.347 20 0 CBADLP C[C@H]([NH2+]C[C@H](C1CC1)N(C)C(=O)Cc1c[nH+]c[nH]1)C(N)=O ZINC001369215428 896170470 /nfs/dbraw/zinc/17/04/70/896170470.db2.gz HXYKHDOLIPKESD-JOYOIKCWSA-N 2 2 293.371 -0.347 20 0 CBADLP C[C@H](CN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1)[NH2+]CC(N)=O ZINC001369254970 896182064 /nfs/dbraw/zinc/18/20/64/896182064.db2.gz BEIRXSKWCDEBJY-GHMZBOCLSA-N 2 2 293.371 -0.633 20 0 CBADLP C[C@@H](CN(C)C(=O)CCc1c[nH+]cn1C)[NH2+]CC(N)=O ZINC001369292763 896187700 /nfs/dbraw/zinc/18/77/00/896187700.db2.gz JTIBELCWLCILGS-JTQLQIEISA-N 2 2 281.360 -0.726 20 0 CBADLP C[C@@H](CN(C)C(=O)Cc1[nH]cc[nH+]1)[NH2+]CCn1cncn1 ZINC001369288945 896188343 /nfs/dbraw/zinc/18/83/43/896188343.db2.gz KEOLCDARPJEJCY-NSHDSACASA-N 2 2 291.359 -0.320 20 0 CBADLP C[C@@H](CN(C)C(=O)Cc1c[nH+]cn1C)[NH2+][C@@H]1CCNC1=O ZINC001369295949 896190914 /nfs/dbraw/zinc/19/09/14/896190914.db2.gz WWCYSKDTXAAPCW-CMPLNLGQSA-N 2 2 293.371 -0.712 20 0 CBADLP Cc1cc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CCC[N@H+]2C)no1 ZINC001369356850 896234967 /nfs/dbraw/zinc/23/49/67/896234967.db2.gz XHLRVPHNBQKNJF-CHWSQXEVSA-N 2 2 296.371 -0.356 20 0 CBADLP Cc1cc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CCC[N@@H+]2C)no1 ZINC001369356850 896234975 /nfs/dbraw/zinc/23/49/75/896234975.db2.gz XHLRVPHNBQKNJF-CHWSQXEVSA-N 2 2 296.371 -0.356 20 0 CBADLP CN(C[C@@H](O)C[NH2+]C[C@H]1CCOC1)C(=O)Cc1c[nH+]c[nH]1 ZINC001369469645 896286231 /nfs/dbraw/zinc/28/62/31/896286231.db2.gz GRSAPKXLUMEFNC-YPMHNXCESA-N 2 2 296.371 -0.602 20 0 CBADLP CC[C@H](C(=O)N[C@@H]1CCC[N@H+](CC(=O)NC)C1)[NH+](C)C ZINC001369842578 896345527 /nfs/dbraw/zinc/34/55/27/896345527.db2.gz BJEYBQPFBLTWNF-VXGBXAGGSA-N 2 2 284.404 -0.347 20 0 CBADLP CC[C@H](C(=O)N[C@@H]1CCC[N@@H+](CC(=O)NC)C1)[NH+](C)C ZINC001369842578 896345546 /nfs/dbraw/zinc/34/55/46/896345546.db2.gz BJEYBQPFBLTWNF-VXGBXAGGSA-N 2 2 284.404 -0.347 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001369989014 896379955 /nfs/dbraw/zinc/37/99/55/896379955.db2.gz WCGJUIGFSRTZCF-WDEREUQCSA-N 2 2 282.388 -0.465 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001369989014 896379970 /nfs/dbraw/zinc/37/99/70/896379970.db2.gz WCGJUIGFSRTZCF-WDEREUQCSA-N 2 2 282.388 -0.465 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@H](CNC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001370251744 896413540 /nfs/dbraw/zinc/41/35/40/896413540.db2.gz BVNGRGJDTFOGTN-MWLCHTKSSA-N 2 2 293.371 -0.429 20 0 CBADLP CN(C)C(=O)C[NH2+][C@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001370492237 896437241 /nfs/dbraw/zinc/43/72/41/896437241.db2.gz IEPGMVUIXJVVTG-HAQNSBGRSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001370541821 896441792 /nfs/dbraw/zinc/44/17/92/896441792.db2.gz PIKRRRBVHFVYLM-OPRDCNLKSA-N 2 2 279.344 -0.690 20 0 CBADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001370541821 896441803 /nfs/dbraw/zinc/44/18/03/896441803.db2.gz PIKRRRBVHFVYLM-OPRDCNLKSA-N 2 2 279.344 -0.690 20 0 CBADLP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001370969154 896525306 /nfs/dbraw/zinc/52/53/06/896525306.db2.gz GAVOXOYVJDXCEI-NEPJUHHUSA-N 2 2 293.371 -0.415 20 0 CBADLP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001370969154 896525315 /nfs/dbraw/zinc/52/53/15/896525315.db2.gz GAVOXOYVJDXCEI-NEPJUHHUSA-N 2 2 293.371 -0.415 20 0 CBADLP C[C@H]([NH2+]C[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1)C(N)=O ZINC001370952585 896525998 /nfs/dbraw/zinc/52/59/98/896525998.db2.gz SBPDYNIKPLITFR-CMPLNLGQSA-N 2 2 293.371 -0.203 20 0 CBADLP C[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+]CC(=O)N1CCC1 ZINC001371193252 896573109 /nfs/dbraw/zinc/57/31/09/896573109.db2.gz ABOGBZZCZDCZAY-NSHDSACASA-N 2 2 293.371 -0.331 20 0 CBADLP C[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH2+]CC(=O)N1CCC1 ZINC001371193252 896573117 /nfs/dbraw/zinc/57/31/17/896573117.db2.gz ABOGBZZCZDCZAY-NSHDSACASA-N 2 2 293.371 -0.331 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]Cc1nnnn1C ZINC001371235630 896581643 /nfs/dbraw/zinc/58/16/43/896581643.db2.gz JQEIHCCLXHBGKN-MNOVXSKESA-N 2 2 295.391 -0.711 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]Cc1nnnn1C ZINC001371235630 896581657 /nfs/dbraw/zinc/58/16/57/896581657.db2.gz JQEIHCCLXHBGKN-MNOVXSKESA-N 2 2 295.391 -0.711 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CCS(C)(=O)=O ZINC001371308143 896590834 /nfs/dbraw/zinc/59/08/34/896590834.db2.gz FWPLGOWNLUMCBK-WDEREUQCSA-N 2 2 291.417 -0.781 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]CCS(C)(=O)=O ZINC001371308143 896590847 /nfs/dbraw/zinc/59/08/47/896590847.db2.gz FWPLGOWNLUMCBK-WDEREUQCSA-N 2 2 291.417 -0.781 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)[NH2+]CCn1cncn1 ZINC001371443918 896608634 /nfs/dbraw/zinc/60/86/34/896608634.db2.gz SKLKSXHUXXJBAJ-SNVBAGLBSA-N 2 2 291.359 -0.353 20 0 CBADLP COC[C@H](O)C[NH2+]C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001371610063 896641236 /nfs/dbraw/zinc/64/12/36/896641236.db2.gz DFRSYSDMZFKRCR-NWDGAFQWSA-N 2 2 296.371 -0.602 20 0 CBADLP C[C@@H](O)C[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001371641858 896644985 /nfs/dbraw/zinc/64/49/85/896644985.db2.gz ZCVMARKFUDFJBQ-NEPJUHHUSA-N 2 2 280.372 -0.219 20 0 CBADLP C[C@H](CCNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@H]1CCN(C)C1=O ZINC001371864264 896672890 /nfs/dbraw/zinc/67/28/90/896672890.db2.gz RXEPOAWLKYNAIN-MNOVXSKESA-N 2 2 293.371 -0.333 20 0 CBADLP CNC(=O)C[N@H+](C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001372027819 896710588 /nfs/dbraw/zinc/71/05/88/896710588.db2.gz IWLFOUCUDXEIFV-UHFFFAOYSA-N 2 2 282.388 -0.591 20 0 CBADLP CNC(=O)C[N@@H+](C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001372027819 896710597 /nfs/dbraw/zinc/71/05/97/896710597.db2.gz IWLFOUCUDXEIFV-UHFFFAOYSA-N 2 2 282.388 -0.591 20 0 CBADLP C[C@@H](O)C[N@H+](C)CCNC(=O)c1cc(C[NH+](C)C)on1 ZINC001372025030 896712418 /nfs/dbraw/zinc/71/24/18/896712418.db2.gz NIQGOEBUYJGNOG-SNVBAGLBSA-N 2 2 284.360 -0.221 20 0 CBADLP C[C@@H](O)C[N@@H+](C)CCNC(=O)c1cc(C[NH+](C)C)on1 ZINC001372025030 896712430 /nfs/dbraw/zinc/71/24/30/896712430.db2.gz NIQGOEBUYJGNOG-SNVBAGLBSA-N 2 2 284.360 -0.221 20 0 CBADLP C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2CCC[NH+]2CC(N)=O)C1 ZINC001372560295 896808316 /nfs/dbraw/zinc/80/83/16/896808316.db2.gz WEZLWQBYGJTBIB-NWDGAFQWSA-N 2 2 282.388 -0.606 20 0 CBADLP C[C@H]1CC[NH+](CC(=O)NC[C@H]2CCC[N@@H+]2CC(N)=O)C1 ZINC001372560295 896808328 /nfs/dbraw/zinc/80/83/28/896808328.db2.gz WEZLWQBYGJTBIB-NWDGAFQWSA-N 2 2 282.388 -0.606 20 0 CBADLP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CCC[NH+]2CC(N)=O)C1 ZINC001372560295 896808300 /nfs/dbraw/zinc/80/83/00/896808300.db2.gz WEZLWQBYGJTBIB-NWDGAFQWSA-N 2 2 282.388 -0.606 20 0 CBADLP C[C@H]1CC[NH+](CC(=O)NC[C@H]2CCC[N@H+]2CC(N)=O)C1 ZINC001372560295 896808341 /nfs/dbraw/zinc/80/83/41/896808341.db2.gz WEZLWQBYGJTBIB-NWDGAFQWSA-N 2 2 282.388 -0.606 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CCC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001372562078 896808671 /nfs/dbraw/zinc/80/86/71/896808671.db2.gz BIVPDAUPCGIEGL-QWRGUYRKSA-N 2 2 293.371 -0.583 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CCC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001372562078 896808684 /nfs/dbraw/zinc/80/86/84/896808684.db2.gz BIVPDAUPCGIEGL-QWRGUYRKSA-N 2 2 293.371 -0.583 20 0 CBADLP CN(C)C(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001372591787 896818558 /nfs/dbraw/zinc/81/85/58/896818558.db2.gz OCJACDPFSUYTGZ-GFCCVEGCSA-N 2 2 293.371 -0.448 20 0 CBADLP CN(C)C(=O)C[N@H+]1CCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001372591787 896818579 /nfs/dbraw/zinc/81/85/79/896818579.db2.gz OCJACDPFSUYTGZ-GFCCVEGCSA-N 2 2 293.371 -0.448 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001372682546 896835686 /nfs/dbraw/zinc/83/56/86/896835686.db2.gz OLMYEUGUTONHOS-GHMZBOCLSA-N 2 2 279.344 -0.805 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001372682546 896835699 /nfs/dbraw/zinc/83/56/99/896835699.db2.gz OLMYEUGUTONHOS-GHMZBOCLSA-N 2 2 279.344 -0.805 20 0 CBADLP CCC[N@@H+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2[C@H](C)C(N)=O ZINC001373079492 896937662 /nfs/dbraw/zinc/93/76/62/896937662.db2.gz HLXAHIJKMDRSJQ-UPJWGTAASA-N 2 2 296.415 -0.123 20 0 CBADLP CCC[NH+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)C(N)=O ZINC001373079492 896937673 /nfs/dbraw/zinc/93/76/73/896937673.db2.gz HLXAHIJKMDRSJQ-UPJWGTAASA-N 2 2 296.415 -0.123 20 0 CBADLP CCC[NH+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(N)=O ZINC001373079492 896937684 /nfs/dbraw/zinc/93/76/84/896937684.db2.gz HLXAHIJKMDRSJQ-UPJWGTAASA-N 2 2 296.415 -0.123 20 0 CBADLP CCC[N@@H+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC(=O)NC ZINC001373079887 896939390 /nfs/dbraw/zinc/93/93/90/896939390.db2.gz IBOHISFIRPNCAS-BETUJISGSA-N 2 2 296.415 -0.251 20 0 CBADLP CCC[NH+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NC ZINC001373079887 896939403 /nfs/dbraw/zinc/93/94/03/896939403.db2.gz IBOHISFIRPNCAS-BETUJISGSA-N 2 2 296.415 -0.251 20 0 CBADLP CCC[NH+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NC ZINC001373079887 896939413 /nfs/dbraw/zinc/93/94/13/896939413.db2.gz IBOHISFIRPNCAS-BETUJISGSA-N 2 2 296.415 -0.251 20 0 CBADLP CCC[N@H+](C)CC(=O)N[C@H]1CCC[NH+]([C@H](C)C(N)=O)C1 ZINC001373406001 897000004 /nfs/dbraw/zinc/00/00/04/897000004.db2.gz WUMYZAKDZIKTDY-NEPJUHHUSA-N 2 2 284.404 -0.217 20 0 CBADLP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[NH+]([C@H](C)C(N)=O)C1 ZINC001373406001 897000015 /nfs/dbraw/zinc/00/00/15/897000015.db2.gz WUMYZAKDZIKTDY-NEPJUHHUSA-N 2 2 284.404 -0.217 20 0 CBADLP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001373406001 897000033 /nfs/dbraw/zinc/00/00/33/897000033.db2.gz WUMYZAKDZIKTDY-NEPJUHHUSA-N 2 2 284.404 -0.217 20 0 CBADLP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@H+]([C@H](C)C(N)=O)C1 ZINC001373406001 897000049 /nfs/dbraw/zinc/00/00/49/897000049.db2.gz WUMYZAKDZIKTDY-NEPJUHHUSA-N 2 2 284.404 -0.217 20 0 CBADLP COC[C@H](O)C[NH+]1CC(NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001373436088 897011345 /nfs/dbraw/zinc/01/13/45/897011345.db2.gz GZZZBQQQGYSMOO-GFCCVEGCSA-N 2 2 285.388 -0.722 20 0 CBADLP C[NH+](C)CCC(=O)NC1C[NH+](C[C@H]2CCc3ncnn32)C1 ZINC001373454763 897021234 /nfs/dbraw/zinc/02/12/34/897021234.db2.gz RHWFAMMHZGHYFB-GFCCVEGCSA-N 2 2 292.387 -0.483 20 0 CBADLP CN1CC[C@@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)CC[NH+](C)C)C1=O ZINC001373573472 897053307 /nfs/dbraw/zinc/05/33/07/897053307.db2.gz CSINTPIXZZHROO-RWMBFGLXSA-N 2 2 294.399 -0.546 20 0 CBADLP CN1CC[C@@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)CC[NH+](C)C)C1=O ZINC001373573472 897053321 /nfs/dbraw/zinc/05/33/21/897053321.db2.gz CSINTPIXZZHROO-RWMBFGLXSA-N 2 2 294.399 -0.546 20 0 CBADLP CC[C@H](C(=O)N[C@H]1CC[N@H+](CC(=O)NC2CC2)C1)[NH+](C)C ZINC001373593627 897065849 /nfs/dbraw/zinc/06/58/49/897065849.db2.gz ATVXBOALYTXVLQ-QWHCGFSZSA-N 2 2 296.415 -0.204 20 0 CBADLP CC[C@H](C(=O)N[C@H]1CC[N@@H+](CC(=O)NC2CC2)C1)[NH+](C)C ZINC001373593627 897065868 /nfs/dbraw/zinc/06/58/68/897065868.db2.gz ATVXBOALYTXVLQ-QWHCGFSZSA-N 2 2 296.415 -0.204 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001373638907 897087689 /nfs/dbraw/zinc/08/76/89/897087689.db2.gz UNGBAZCJZMUMCJ-GHMZBOCLSA-N 2 2 282.388 -0.608 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001373638907 897087698 /nfs/dbraw/zinc/08/76/98/897087698.db2.gz UNGBAZCJZMUMCJ-GHMZBOCLSA-N 2 2 282.388 -0.608 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N(C)[C@H]1CC[NH+](CC(N)=O)C1 ZINC001373700057 897101252 /nfs/dbraw/zinc/10/12/52/897101252.db2.gz WXPXISNABJPOTR-NSHDSACASA-N 2 2 270.377 -0.655 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N(C)[C@H]1CC[NH+](CC(N)=O)C1 ZINC001373700057 897101260 /nfs/dbraw/zinc/10/12/60/897101260.db2.gz WXPXISNABJPOTR-NSHDSACASA-N 2 2 270.377 -0.655 20 0 CBADLP CC(C)[NH+](C)CC(=O)N(C)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001373700057 897101275 /nfs/dbraw/zinc/10/12/75/897101275.db2.gz WXPXISNABJPOTR-NSHDSACASA-N 2 2 270.377 -0.655 20 0 CBADLP CC(C)[NH+](C)CC(=O)N(C)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001373700057 897101278 /nfs/dbraw/zinc/10/12/78/897101278.db2.gz WXPXISNABJPOTR-NSHDSACASA-N 2 2 270.377 -0.655 20 0 CBADLP CC[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1cn(C)nn1 ZINC001373836747 897129478 /nfs/dbraw/zinc/12/94/78/897129478.db2.gz RHJACOGRZCGQRN-NSHDSACASA-N 2 2 291.359 -0.304 20 0 CBADLP CC[C@H](CNC(=O)CCc1c[nH+]cn1C)[NH2+][C@H](C)C(N)=O ZINC001373823391 897131277 /nfs/dbraw/zinc/13/12/77/897131277.db2.gz WIZNDTJHRREUDF-GHMZBOCLSA-N 2 2 295.387 -0.289 20 0 CBADLP CC[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CC(=O)N(C)CC ZINC001373836327 897131714 /nfs/dbraw/zinc/13/17/14/897131714.db2.gz QBZMEAUGMZGKCM-LBPRGKRZSA-N 2 2 295.387 -0.154 20 0 CBADLP C[C@@H]([NH2+]C[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1)C(N)=O ZINC001373964758 897145274 /nfs/dbraw/zinc/14/52/74/897145274.db2.gz GEMAMMPHHSAGEI-MWLCHTKSSA-N 2 2 279.344 -0.593 20 0 CBADLP C[C@H](CNC(=O)CCn1cc[nH+]c1)C[NH2+][C@@H]1CCNC1=O ZINC001374048900 897161225 /nfs/dbraw/zinc/16/12/25/897161225.db2.gz FQQKJLIRGFQTAM-NWDGAFQWSA-N 2 2 293.371 -0.496 20 0 CBADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C[NH2+][C@@H]1CCN(C)C1=O ZINC001374079097 897167176 /nfs/dbraw/zinc/16/71/76/897167176.db2.gz ODPZYTUWCBNCEN-ZYHUDNBSSA-N 2 2 293.371 -0.475 20 0 CBADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+][C@H]1CCNC1=O ZINC001374113077 897171659 /nfs/dbraw/zinc/17/16/59/897171659.db2.gz ISFPPBQBXCYMKI-MNOVXSKESA-N 2 2 279.344 -0.887 20 0 CBADLP O=C(C[NH+]1CCCC1)NC[C@H]1C[N@H+](CCCO)CCO1 ZINC001374144243 897179393 /nfs/dbraw/zinc/17/93/93/897179393.db2.gz VELWMKAYGRNHSP-ZDUSSCGKSA-N 2 2 285.388 -0.718 20 0 CBADLP O=C(C[NH+]1CCCC1)NC[C@H]1C[N@@H+](CCCO)CCO1 ZINC001374144243 897179401 /nfs/dbraw/zinc/17/94/01/897179401.db2.gz VELWMKAYGRNHSP-ZDUSSCGKSA-N 2 2 285.388 -0.718 20 0 CBADLP Cc1cn(C(C)(C)C(=O)N(C)[C@@H](C)C[NH2+]CC(N)=O)c[nH+]1 ZINC001374250477 897198396 /nfs/dbraw/zinc/19/83/96/897198396.db2.gz LQKLGJXZSUQKDG-NSHDSACASA-N 2 2 295.387 -0.152 20 0 CBADLP C[C@@H](C[NH2+]Cc1cnnn1C)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001374303442 897206321 /nfs/dbraw/zinc/20/63/21/897206321.db2.gz PCFLLZVFSIJDMH-JTQLQIEISA-N 2 2 291.359 -0.283 20 0 CBADLP C[C@H](C[NH2+][C@H]1CCNC1=O)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001374301037 897207028 /nfs/dbraw/zinc/20/70/28/897207028.db2.gz GTLSRLCAYBEEEX-ZJUUUORDSA-N 2 2 279.344 -0.723 20 0 CBADLP C[C@@H](C[NH2+][C@@H]1CCNC1=O)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001374301036 897207930 /nfs/dbraw/zinc/20/79/30/897207930.db2.gz GTLSRLCAYBEEEX-VHSXEESVSA-N 2 2 279.344 -0.723 20 0 CBADLP CC[C@H]([NH2+][C@@H](CNC(=O)Cc1[nH]cc[nH+]1)C(C)C)C(N)=O ZINC001374438774 897225119 /nfs/dbraw/zinc/22/51/19/897225119.db2.gz LVNSKAHHHUGANP-QWRGUYRKSA-N 2 2 295.387 -0.054 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@@H](O)C[NH2+]C[C@@H]1CCCOC1 ZINC001374676694 897338735 /nfs/dbraw/zinc/33/87/35/897338735.db2.gz MXVAJLGICMTHCU-STQMWFEESA-N 2 2 296.371 -0.624 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@H](O)C[NH2+]Cc1cccnc1 ZINC001374678946 897343228 /nfs/dbraw/zinc/34/32/28/897343228.db2.gz XOSXWPKXBOQZCA-CYBMUJFWSA-N 2 2 289.339 -0.455 20 0 CBADLP C[C@H](CC[NH2+][C@@H](C)C(N)=O)NC(=O)CCc1c[nH+]cn1C ZINC001374708193 897347912 /nfs/dbraw/zinc/34/79/12/897347912.db2.gz MCLIJUAGDPAVLF-MNOVXSKESA-N 2 2 295.387 -0.289 20 0 CBADLP C[C@@H]([NH2+]CC[C@H](C)NC(=O)Cc1[nH]cc[nH+]1)C(=O)N(C)C ZINC001374698167 897349589 /nfs/dbraw/zinc/34/95/89/897349589.db2.gz DCTVZEFQYGFHMC-WDEREUQCSA-N 2 2 295.387 -0.087 20 0 CBADLP C[C@@H](CC[NH2+][C@H]1CCCNC1=O)NC(=O)Cc1[nH]cc[nH+]1 ZINC001374708642 897354016 /nfs/dbraw/zinc/35/40/16/897354016.db2.gz VNHQITIMNZGYOV-QWRGUYRKSA-N 2 2 293.371 -0.285 20 0 CBADLP C[C@H](CC[NH2+][C@H]1CCCNC1=O)NC(=O)Cc1[nH]cc[nH+]1 ZINC001374708640 897355358 /nfs/dbraw/zinc/35/53/58/897355358.db2.gz VNHQITIMNZGYOV-MNOVXSKESA-N 2 2 293.371 -0.285 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001374779974 897385225 /nfs/dbraw/zinc/38/52/25/897385225.db2.gz CAQWJHYCKLWEIY-GHMZBOCLSA-N 2 2 293.371 -0.714 20 0 CBADLP C[C@H](C[NH2+][C@H](C)C(N)=O)NC(=O)CCc1[nH+]ccn1C ZINC001374787775 897391460 /nfs/dbraw/zinc/39/14/60/897391460.db2.gz BEPPFXWPPHHGFU-NXEZZACHSA-N 2 2 281.360 -0.679 20 0 CBADLP C[C@@H](C[NH2+]CC(N)=O)NC(=O)c1cccc2[nH+]ccn21 ZINC001374915493 897430955 /nfs/dbraw/zinc/43/09/55/897430955.db2.gz UVVMWOSIKQUACR-VIFPVBQESA-N 2 2 275.312 -0.473 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@H](C)C[N@H+](C)[C@@H]1CCNC1=O ZINC001375153775 897489019 /nfs/dbraw/zinc/48/90/19/897489019.db2.gz LUFIKEOEVKCNPJ-ZYHUDNBSSA-N 2 2 293.371 -0.483 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@H](C)C[N@@H+](C)[C@@H]1CCNC1=O ZINC001375153775 897489033 /nfs/dbraw/zinc/48/90/33/897489033.db2.gz LUFIKEOEVKCNPJ-ZYHUDNBSSA-N 2 2 293.371 -0.483 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001375337945 897520993 /nfs/dbraw/zinc/52/09/93/897520993.db2.gz DLKBHTYGAGTBCF-WDEREUQCSA-N 2 2 270.377 -0.737 20 0 CBADLP CNC(=O)[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001375337945 897521000 /nfs/dbraw/zinc/52/10/00/897521000.db2.gz DLKBHTYGAGTBCF-WDEREUQCSA-N 2 2 270.377 -0.737 20 0 CBADLP CC[N@H+](C)CCC(=O)NC[C@H]1CC[NH+]1CC(=O)N(C)C ZINC001375355198 897526231 /nfs/dbraw/zinc/52/62/31/897526231.db2.gz IAFRGHIBHHWEPW-GFCCVEGCSA-N 2 2 284.404 -0.393 20 0 CBADLP CC[N@@H+](C)CCC(=O)NC[C@H]1CC[NH+]1CC(=O)N(C)C ZINC001375355198 897526237 /nfs/dbraw/zinc/52/62/37/897526237.db2.gz IAFRGHIBHHWEPW-GFCCVEGCSA-N 2 2 284.404 -0.393 20 0 CBADLP CC[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+]1CC(=O)N(C)C ZINC001375355198 897526249 /nfs/dbraw/zinc/52/62/49/897526249.db2.gz IAFRGHIBHHWEPW-GFCCVEGCSA-N 2 2 284.404 -0.393 20 0 CBADLP CC[NH+](C)CCC(=O)NC[C@H]1CC[N@H+]1CC(=O)N(C)C ZINC001375355198 897526258 /nfs/dbraw/zinc/52/62/58/897526258.db2.gz IAFRGHIBHHWEPW-GFCCVEGCSA-N 2 2 284.404 -0.393 20 0 CBADLP CN(C[C@H]1CC[N@@H+]1CCO)C(=O)CCc1[nH+]ccn1C ZINC001375457064 897546387 /nfs/dbraw/zinc/54/63/87/897546387.db2.gz MBWCLADKORJVSW-GFCCVEGCSA-N 2 2 280.372 -0.122 20 0 CBADLP CN(C[C@H]1CC[N@H+]1CCO)C(=O)CCc1[nH+]ccn1C ZINC001375457064 897546393 /nfs/dbraw/zinc/54/63/93/897546393.db2.gz MBWCLADKORJVSW-GFCCVEGCSA-N 2 2 280.372 -0.122 20 0 CBADLP O=C(Cn1cc[nH+]c1)NCC1([NH2+]CC(=O)N2CCC2)CC1 ZINC001375566959 897567375 /nfs/dbraw/zinc/56/73/75/897567375.db2.gz ZXJWHLYYRKHXPE-UHFFFAOYSA-N 2 2 291.355 -0.646 20 0 CBADLP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001375747543 897602937 /nfs/dbraw/zinc/60/29/37/897602937.db2.gz RTXJYYWTPNZLFK-GHMZBOCLSA-N 2 2 293.371 -0.333 20 0 CBADLP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@@H](C)C1 ZINC001375747554 897604371 /nfs/dbraw/zinc/60/43/71/897604371.db2.gz RTXJYYWTPNZLFK-WDEREUQCSA-N 2 2 293.371 -0.333 20 0 CBADLP CNC(=O)C[NH+]1CCC(C)(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001375782135 897605531 /nfs/dbraw/zinc/60/55/31/897605531.db2.gz HSVJSMIVRGCQQJ-UHFFFAOYSA-N 2 2 293.371 -0.400 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001376058565 897645957 /nfs/dbraw/zinc/64/59/57/897645957.db2.gz KKGURTFWTMXTCN-NWDGAFQWSA-N 2 2 296.415 -0.075 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001376058565 897645959 /nfs/dbraw/zinc/64/59/59/897645959.db2.gz KKGURTFWTMXTCN-NWDGAFQWSA-N 2 2 296.415 -0.075 20 0 CBADLP O=C(CCCn1cc[nH+]c1)NC[C@@]1(O)CC[N@@H+](CCO)C1 ZINC001376119260 897660597 /nfs/dbraw/zinc/66/05/97/897660597.db2.gz KWJITJFTBWPYIV-AWEZNQCLSA-N 2 2 296.371 -0.791 20 0 CBADLP O=C(CCCn1cc[nH+]c1)NC[C@@]1(O)CC[N@H+](CCO)C1 ZINC001376119260 897660605 /nfs/dbraw/zinc/66/06/05/897660605.db2.gz KWJITJFTBWPYIV-AWEZNQCLSA-N 2 2 296.371 -0.791 20 0 CBADLP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)C[NH+](C[C@@H](C)O)C1 ZINC001376183814 897683935 /nfs/dbraw/zinc/68/39/35/897683935.db2.gz QPVXQPRMEDPWBG-OLZOCXBDSA-N 2 2 299.415 -0.596 20 0 CBADLP CCC[N@H+]1CCC[C@H]1C(=O)NCC1(O)C[NH+](C[C@@H](C)O)C1 ZINC001376183814 897683948 /nfs/dbraw/zinc/68/39/48/897683948.db2.gz QPVXQPRMEDPWBG-OLZOCXBDSA-N 2 2 299.415 -0.596 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@H](CNC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001376247788 897698406 /nfs/dbraw/zinc/69/84/06/897698406.db2.gz XBYSOSMTDAFPOJ-JOYOIKCWSA-N 2 2 293.371 -0.429 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CCCC[C@@H]1C[NH2+]CC(N)=O ZINC001376612263 897783160 /nfs/dbraw/zinc/78/31/60/897783160.db2.gz PLIKSGVFBDHWTD-LLVKDONJSA-N 2 2 293.371 -0.581 20 0 CBADLP CNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001376753216 897835315 /nfs/dbraw/zinc/83/53/15/897835315.db2.gz GWMYNMQFUXBWFQ-QWRGUYRKSA-N 2 2 293.371 -0.714 20 0 CBADLP C[C@H](CNC(=O)CCn1cc[nH+]c1)[NH2+][C@H]1CCCNC1=O ZINC001376777690 897842729 /nfs/dbraw/zinc/84/27/29/897842729.db2.gz NUQROQLQQPMQFM-NEPJUHHUSA-N 2 2 293.371 -0.354 20 0 CBADLP C[C@H](CNC(=O)CCn1cc[nH+]c1)[NH2+][C@@H](C)C(=O)N(C)C ZINC001376776593 897843176 /nfs/dbraw/zinc/84/31/76/897843176.db2.gz MCCUTWFDXVFHNG-NEPJUHHUSA-N 2 2 295.387 -0.156 20 0 CBADLP CCN(C)C(=O)C[NH2+][C@@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001376858492 897871049 /nfs/dbraw/zinc/87/10/49/897871049.db2.gz ZGJMHUHFMWXQAS-NSHDSACASA-N 2 2 295.387 -0.465 20 0 CBADLP C[C@H](CNC(=O)CCc1c[nH+]cn1C)[NH2+][C@H](C)C(N)=O ZINC001376872837 897874647 /nfs/dbraw/zinc/87/46/47/897874647.db2.gz VATSPAGWXPYRGX-NXEZZACHSA-N 2 2 281.360 -0.679 20 0 CBADLP CCCNC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001376890815 897885226 /nfs/dbraw/zinc/88/52/26/897885226.db2.gz YLESCKVBJNYORU-NWDGAFQWSA-N 2 2 295.387 -0.108 20 0 CBADLP COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001376919400 897890630 /nfs/dbraw/zinc/89/06/30/897890630.db2.gz UFSAPAIDHXDXCN-NWDGAFQWSA-N 2 2 296.371 -0.542 20 0 CBADLP CNC(=O)C[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001377222116 897976784 /nfs/dbraw/zinc/97/67/84/897976784.db2.gz PBPYBPVYYXMIBH-RYUDHWBXSA-N 2 2 284.404 -0.489 20 0 CBADLP CNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001377222116 897976793 /nfs/dbraw/zinc/97/67/93/897976793.db2.gz PBPYBPVYYXMIBH-RYUDHWBXSA-N 2 2 284.404 -0.489 20 0 CBADLP CNC(=O)C[NH+](C)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001377222116 897976805 /nfs/dbraw/zinc/97/68/05/897976805.db2.gz PBPYBPVYYXMIBH-RYUDHWBXSA-N 2 2 284.404 -0.489 20 0 CBADLP CNC(=O)C[NH+](C)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001377222116 897976820 /nfs/dbraw/zinc/97/68/20/897976820.db2.gz PBPYBPVYYXMIBH-RYUDHWBXSA-N 2 2 284.404 -0.489 20 0 CBADLP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1[NH2+]Cc1nnn(C)n1 ZINC001377270099 897993447 /nfs/dbraw/zinc/99/34/47/897993447.db2.gz DVYRGRSSFXNCOF-MNOVXSKESA-N 2 2 295.391 -0.902 20 0 CBADLP C[C@@H](CCNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CC(=O)N(C)C ZINC001377512835 898072406 /nfs/dbraw/zinc/07/24/06/898072406.db2.gz SXOUVUKGDPPVFP-JTQLQIEISA-N 2 2 281.360 -0.475 20 0 CBADLP C[C@@H](CCNC(=O)CCc1c[nH+]cn1C)[NH2+]CC(N)=O ZINC001377522095 898074660 /nfs/dbraw/zinc/07/46/60/898074660.db2.gz AGJDOSNREIIMGO-JTQLQIEISA-N 2 2 281.360 -0.678 20 0 CBADLP CC[C@@H](C(=O)N[C@@H](C)CNC(=O)Cc1c[nH]c[nH+]1)[NH+](C)C ZINC001377831324 898143346 /nfs/dbraw/zinc/14/33/46/898143346.db2.gz LIEIANIFDXOPII-JQWIXIFHSA-N 2 2 295.387 -0.087 20 0 CBADLP C[C@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H](C)[NH2+]Cc1cnnn1C ZINC001377863940 898153881 /nfs/dbraw/zinc/15/38/81/898153881.db2.gz TWNFJRRUEMZISE-UWVGGRQHSA-N 2 2 291.359 -0.236 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001377994968 898191163 /nfs/dbraw/zinc/19/11/63/898191163.db2.gz HHTRUAIXUJVLFB-MNOVXSKESA-N 2 2 282.388 -0.750 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001377994968 898191173 /nfs/dbraw/zinc/19/11/73/898191173.db2.gz HHTRUAIXUJVLFB-MNOVXSKESA-N 2 2 282.388 -0.750 20 0 CBADLP CC[N@H+](C)CCC(=O)NCC1C[NH+]([C@H]2CCNC2=O)C1 ZINC001378009386 898197549 /nfs/dbraw/zinc/19/75/49/898197549.db2.gz ZUPFETFBVUJUMN-LBPRGKRZSA-N 2 2 282.388 -0.735 20 0 CBADLP CC[N@@H+](C)CCC(=O)NCC1C[NH+]([C@H]2CCNC2=O)C1 ZINC001378009386 898197558 /nfs/dbraw/zinc/19/75/58/898197558.db2.gz ZUPFETFBVUJUMN-LBPRGKRZSA-N 2 2 282.388 -0.735 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CC(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001378018905 898204432 /nfs/dbraw/zinc/20/44/32/898204432.db2.gz DYWHZKMUBUVEPY-GFCCVEGCSA-N 2 2 296.415 -0.216 20 0 CBADLP CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001378088308 898233112 /nfs/dbraw/zinc/23/31/12/898233112.db2.gz JDLGPVFUMFEEJN-LBPRGKRZSA-N 2 2 284.404 -0.347 20 0 CBADLP CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001378088308 898233129 /nfs/dbraw/zinc/23/31/29/898233129.db2.gz JDLGPVFUMFEEJN-LBPRGKRZSA-N 2 2 284.404 -0.347 20 0 CBADLP CCNC(=O)C[NH+]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001378088308 898233145 /nfs/dbraw/zinc/23/31/45/898233145.db2.gz JDLGPVFUMFEEJN-LBPRGKRZSA-N 2 2 284.404 -0.347 20 0 CBADLP CCNC(=O)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001378088308 898233163 /nfs/dbraw/zinc/23/31/63/898233163.db2.gz JDLGPVFUMFEEJN-LBPRGKRZSA-N 2 2 284.404 -0.347 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+](C)[C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001378190728 898271104 /nfs/dbraw/zinc/27/11/04/898271104.db2.gz QILJWFPBGFBUFG-GHMZBOCLSA-N 2 2 295.387 -0.466 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001378190728 898271119 /nfs/dbraw/zinc/27/11/19/898271119.db2.gz QILJWFPBGFBUFG-GHMZBOCLSA-N 2 2 295.387 -0.466 20 0 CBADLP CC[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]CC(=O)NC ZINC001378256969 898297286 /nfs/dbraw/zinc/29/72/86/898297286.db2.gz KOAOLLIVYGFNQL-GMTAPVOTSA-N 2 2 293.371 -0.256 20 0 CBADLP CC[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[NH2+]CC(=O)NC ZINC001378256969 898297301 /nfs/dbraw/zinc/29/73/01/898297301.db2.gz KOAOLLIVYGFNQL-GMTAPVOTSA-N 2 2 293.371 -0.256 20 0 CBADLP CC[C@@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]CC(=O)NC ZINC001378316030 898311014 /nfs/dbraw/zinc/31/10/14/898311014.db2.gz JGOHFXCXHTYJEH-JTQLQIEISA-N 2 2 281.360 -0.807 20 0 CBADLP CC[C@@H](C(=O)N[C@@H](C)C1C[NH+](CC(=O)NC)C1)[NH+](C)C ZINC001378533881 898344913 /nfs/dbraw/zinc/34/49/13/898344913.db2.gz BBKVIGVWCONTEQ-JQWIXIFHSA-N 2 2 284.404 -0.491 20 0 CBADLP C[C@H](CNC(=O)CCc1c[nH]c[nH+]1)C[NH2+][C@H](C)C(N)=O ZINC001378569711 898354903 /nfs/dbraw/zinc/35/49/03/898354903.db2.gz UTOSILARUFRYHQ-VHSXEESVSA-N 2 2 281.360 -0.442 20 0 CBADLP C[C@H](CNC(=O)CCc1c[nH+]c[nH]1)C[NH2+][C@H](C)C(N)=O ZINC001378569711 898354915 /nfs/dbraw/zinc/35/49/15/898354915.db2.gz UTOSILARUFRYHQ-VHSXEESVSA-N 2 2 281.360 -0.442 20 0 CBADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+]CC(=O)N(C)C ZINC001378635498 898373915 /nfs/dbraw/zinc/37/39/15/898373915.db2.gz OGRUAUQMBZENJZ-NSHDSACASA-N 2 2 281.360 -0.687 20 0 CBADLP C[C@H](C[NH2+]CC(=O)N(C)C)N(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001378786308 898413845 /nfs/dbraw/zinc/41/38/45/898413845.db2.gz XZGCMDGWJUJWCC-LLVKDONJSA-N 2 2 295.387 -0.133 20 0 CBADLP C[C@H](C[NH2+]CC(=O)N(C)C)N(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001378786308 898413852 /nfs/dbraw/zinc/41/38/52/898413852.db2.gz XZGCMDGWJUJWCC-LLVKDONJSA-N 2 2 295.387 -0.133 20 0 CBADLP C[C@H](C[NH2+]Cc1cn(C)nn1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001378875731 898428407 /nfs/dbraw/zinc/42/84/07/898428407.db2.gz UGHFXBIQCKCWIS-LLVKDONJSA-N 2 2 291.359 -0.352 20 0 CBADLP CNC(=O)C[N@H+](C)CCN(C)C(=O)CC[C@H]1CCC[NH+]1C ZINC001379067942 898456533 /nfs/dbraw/zinc/45/65/33/898456533.db2.gz WCRPSNLTGQPZII-CYBMUJFWSA-N 2 2 298.431 -0.003 20 0 CBADLP CNC(=O)C[N@@H+](C)CCN(C)C(=O)CC[C@H]1CCC[NH+]1C ZINC001379067942 898456543 /nfs/dbraw/zinc/45/65/43/898456543.db2.gz WCRPSNLTGQPZII-CYBMUJFWSA-N 2 2 298.431 -0.003 20 0 CBADLP CNC(=O)C[NH+](C)CCN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001379067942 898456553 /nfs/dbraw/zinc/45/65/53/898456553.db2.gz WCRPSNLTGQPZII-CYBMUJFWSA-N 2 2 298.431 -0.003 20 0 CBADLP CNC(=O)C[NH+](C)CCN(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001379067942 898456563 /nfs/dbraw/zinc/45/65/63/898456563.db2.gz WCRPSNLTGQPZII-CYBMUJFWSA-N 2 2 298.431 -0.003 20 0 CBADLP CC(C)[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001379203343 898504873 /nfs/dbraw/zinc/50/48/73/898504873.db2.gz AKTKPPKGHVACDO-VXGBXAGGSA-N 2 2 280.372 -0.079 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)CC[NH2+][C@@H](C)C(N)=O ZINC001379358253 898571833 /nfs/dbraw/zinc/57/18/33/898571833.db2.gz APMDBOGBBFVGPQ-WPRPVWTQSA-N 2 2 281.360 -0.381 20 0 CBADLP C[N@H+](CC(=O)NC[C@@H](CO)[NH2+]Cc1ccon1)C1CCC1 ZINC001379406666 898603089 /nfs/dbraw/zinc/60/30/89/898603089.db2.gz AKWJKTPLPWHXGZ-LBPRGKRZSA-N 2 2 296.371 -0.274 20 0 CBADLP C[N@@H+](CC(=O)NC[C@@H](CO)[NH2+]Cc1ccon1)C1CCC1 ZINC001379406666 898603095 /nfs/dbraw/zinc/60/30/95/898603095.db2.gz AKWJKTPLPWHXGZ-LBPRGKRZSA-N 2 2 296.371 -0.274 20 0 CBADLP O=C(NC[C@H](CO)[NH2+]CC1CC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001379433360 898614662 /nfs/dbraw/zinc/61/46/62/898614662.db2.gz KJPKLMCADVBRRU-CHWSQXEVSA-N 2 2 292.383 -0.078 20 0 CBADLP CC[C@H](C(=O)NC[C@H](CO)[NH2+]Cc1nccn1C)[NH+](C)C ZINC001379439447 898615475 /nfs/dbraw/zinc/61/54/75/898615475.db2.gz QMQDWADPGQXPSF-VXGBXAGGSA-N 2 2 297.403 -0.673 20 0 CBADLP CC[C@H](C)NC(=O)C[NH2+]C[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001379451511 898617298 /nfs/dbraw/zinc/61/72/98/898617298.db2.gz FXTRRJFTPDRIEA-WDEREUQCSA-N 2 2 295.387 -0.039 20 0 CBADLP C[C@H](C[NH2+][C@@H]1CCNC1=O)NC(=O)CCc1c[nH+]cn1C ZINC001379456801 898621227 /nfs/dbraw/zinc/62/12/27/898621227.db2.gz XHNOBJKIUICANX-ZYHUDNBSSA-N 2 2 293.371 -0.665 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@H](CO)[NH2+]CC[C@H]1CCOC1 ZINC001379485539 898634922 /nfs/dbraw/zinc/63/49/22/898634922.db2.gz UWWJDXYUTBQNNQ-AAEUAGOBSA-N 2 2 296.371 -0.555 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC[C@H](CO)[NH2+]CCC1CC1 ZINC001379510245 898650082 /nfs/dbraw/zinc/65/00/82/898650082.db2.gz RZNMEYZEJQBTKE-GFCCVEGCSA-N 2 2 280.372 -0.171 20 0 CBADLP CC[C@@H](F)C[NH2+][C@@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001379537143 898660908 /nfs/dbraw/zinc/66/09/08/898660908.db2.gz JXUZELNYUILJFM-GHMZBOCLSA-N 2 2 272.324 -0.302 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@H](CO)[NH2+]C[C@@H]1CCCCO1 ZINC001379539873 898661909 /nfs/dbraw/zinc/66/19/09/898661909.db2.gz ODAGTTTUHCUQLZ-OLZOCXBDSA-N 2 2 296.371 -0.481 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@@H](CO)[NH2+]C[C@@H]1CCCCO1 ZINC001379539878 898662313 /nfs/dbraw/zinc/66/23/13/898662313.db2.gz ODAGTTTUHCUQLZ-STQMWFEESA-N 2 2 296.371 -0.481 20 0 CBADLP CNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001379697766 898702521 /nfs/dbraw/zinc/70/25/21/898702521.db2.gz BXCPCOLAVQMGHN-SNVBAGLBSA-N 2 2 281.360 -0.626 20 0 CBADLP CNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001379697766 898702533 /nfs/dbraw/zinc/70/25/33/898702533.db2.gz BXCPCOLAVQMGHN-SNVBAGLBSA-N 2 2 281.360 -0.626 20 0 CBADLP COC[C@@H](O)C[N@H+](C)C[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001379764387 898722681 /nfs/dbraw/zinc/72/26/81/898722681.db2.gz KQBDYFHUDBWSGP-YPMHNXCESA-N 2 2 298.387 -0.594 20 0 CBADLP COC[C@@H](O)C[N@@H+](C)C[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001379764387 898722690 /nfs/dbraw/zinc/72/26/90/898722690.db2.gz KQBDYFHUDBWSGP-YPMHNXCESA-N 2 2 298.387 -0.594 20 0 CBADLP CC[C@H](C(N)=O)[N@H+](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001379811116 898735406 /nfs/dbraw/zinc/73/54/06/898735406.db2.gz VLUIRBOPTAVBDY-WDEREUQCSA-N 2 2 281.360 -0.417 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001379811116 898735417 /nfs/dbraw/zinc/73/54/17/898735417.db2.gz VLUIRBOPTAVBDY-WDEREUQCSA-N 2 2 281.360 -0.417 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001379908599 898758438 /nfs/dbraw/zinc/75/84/38/898758438.db2.gz LWNZYVNGVGKJRT-BXKDBHETSA-N 2 2 293.371 -0.442 20 0 CBADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001379908599 898758453 /nfs/dbraw/zinc/75/84/53/898758453.db2.gz LWNZYVNGVGKJRT-BXKDBHETSA-N 2 2 293.371 -0.442 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001380020417 898785599 /nfs/dbraw/zinc/78/55/99/898785599.db2.gz VAARYWAAGWSYMW-GHMZBOCLSA-N 2 2 270.377 -0.608 20 0 CBADLP CC[C@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001380020417 898785611 /nfs/dbraw/zinc/78/56/11/898785611.db2.gz VAARYWAAGWSYMW-GHMZBOCLSA-N 2 2 270.377 -0.608 20 0 CBADLP CCC[N@H+](C)CC(=O)NCC1([NH2+]Cc2cn(C)nn2)CC1 ZINC001380158307 898825998 /nfs/dbraw/zinc/82/59/98/898825998.db2.gz BOPAQLAAMQPPNW-UHFFFAOYSA-N 2 2 294.403 -0.105 20 0 CBADLP CCC[N@@H+](C)CC(=O)NCC1([NH2+]Cc2cn(C)nn2)CC1 ZINC001380158307 898826009 /nfs/dbraw/zinc/82/60/09/898826009.db2.gz BOPAQLAAMQPPNW-UHFFFAOYSA-N 2 2 294.403 -0.105 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)C1CC([NH2+]CC(N)=O)C1 ZINC001380174189 898828186 /nfs/dbraw/zinc/82/81/86/898828186.db2.gz JYFRMWPEIJYEOP-GRZMOONWSA-N 2 2 293.371 -0.347 20 0 CBADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)C1CC([NH2+]CC(N)=O)C1 ZINC001380174189 898828196 /nfs/dbraw/zinc/82/81/96/898828196.db2.gz JYFRMWPEIJYEOP-GRZMOONWSA-N 2 2 293.371 -0.347 20 0 CBADLP CNC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001380267146 898846391 /nfs/dbraw/zinc/84/63/91/898846391.db2.gz LAEAGVNWJQBEJA-MNOVXSKESA-N 2 2 293.371 -0.333 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@@]1(C)CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001380351949 898861835 /nfs/dbraw/zinc/86/18/35/898861835.db2.gz FJRQPOUYRZDIQP-FZMZJTMJSA-N 2 2 293.371 -0.354 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@@]1(C)CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001380351949 898861849 /nfs/dbraw/zinc/86/18/49/898861849.db2.gz FJRQPOUYRZDIQP-FZMZJTMJSA-N 2 2 293.371 -0.354 20 0 CBADLP COC[C@H](C)[NH+]1CC(O)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001380605292 898919293 /nfs/dbraw/zinc/91/92/93/898919293.db2.gz JGPXDPYORUJTMG-LBPRGKRZSA-N 2 2 296.371 -0.611 20 0 CBADLP CC[N@H+](C)CCC(=O)NCC1(O)C[NH+](C[C@@H](C)OC)C1 ZINC001380637562 898927831 /nfs/dbraw/zinc/92/78/31/898927831.db2.gz LBRWWUAYOQHSRQ-GFCCVEGCSA-N 2 2 287.404 -0.474 20 0 CBADLP CC[N@@H+](C)CCC(=O)NCC1(O)C[NH+](C[C@@H](C)OC)C1 ZINC001380637562 898927834 /nfs/dbraw/zinc/92/78/34/898927834.db2.gz LBRWWUAYOQHSRQ-GFCCVEGCSA-N 2 2 287.404 -0.474 20 0 CBADLP COC[C@@H](O)C[NH2+]C1(CNC(=O)Cc2c[nH]c[nH+]2)CCC1 ZINC001380878089 898963230 /nfs/dbraw/zinc/96/32/30/898963230.db2.gz OCAKHBJRDLKPQA-LBPRGKRZSA-N 2 2 296.371 -0.412 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@](CO)([NH2+]CCO)C1 ZINC001381057055 898992233 /nfs/dbraw/zinc/99/22/33/898992233.db2.gz YHLWFXASAIGHGS-AWEZNQCLSA-N 2 2 296.371 -0.804 20 0 CBADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1[NH2+]CC(=O)N(C)C ZINC001381108776 899000174 /nfs/dbraw/zinc/00/01/74/899000174.db2.gz CZQCYJRZJIJWPG-MNOVXSKESA-N 2 2 293.371 -0.523 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@@H](C)CCNC(=O)Cn1cc[nH+]c1 ZINC001381239423 899015752 /nfs/dbraw/zinc/01/57/52/899015752.db2.gz PJYABXUMHRKITD-WDEREUQCSA-N 2 2 281.360 -0.498 20 0 CBADLP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@@H](C)[NH2+]Cc1cnn(C)n1 ZINC001381449260 899054362 /nfs/dbraw/zinc/05/43/62/899054362.db2.gz OMKVWBOVGOCEHV-GHMZBOCLSA-N 2 2 291.359 -0.305 20 0 CBADLP CN(CC(C)(C)C[NH2+]CC(N)=O)C(=O)CCn1cc[nH+]c1 ZINC001381479518 899059331 /nfs/dbraw/zinc/05/93/31/899059331.db2.gz MHKQGNOSWVHNCH-UHFFFAOYSA-N 2 2 295.387 -0.167 20 0 CBADLP C[C@@H](CNC(=O)C12CCC[NH+]1CCC2)[N@H+](C)CC(N)=O ZINC001381541263 899076371 /nfs/dbraw/zinc/07/63/71/899076371.db2.gz LXNAPXQZWRWTGK-NSHDSACASA-N 2 2 282.388 -0.463 20 0 CBADLP C[C@@H](CNC(=O)C12CCC[NH+]1CCC2)[N@@H+](C)CC(N)=O ZINC001381541263 899076379 /nfs/dbraw/zinc/07/63/79/899076379.db2.gz LXNAPXQZWRWTGK-NSHDSACASA-N 2 2 282.388 -0.463 20 0 CBADLP CC[C@H](C(=O)NC1(CCO)C[NH+](C[C@@H](C)O)C1)[NH+](C)C ZINC001381662501 899102974 /nfs/dbraw/zinc/10/29/74/899102974.db2.gz UGHFENFMOWKDEP-VXGBXAGGSA-N 2 2 287.404 -0.740 20 0 CBADLP CC(C)[C@H](CCN(C)C(=O)Cc1[nH]cc[nH+]1)[NH2+]CC(N)=O ZINC001381716068 899108996 /nfs/dbraw/zinc/10/89/96/899108996.db2.gz LROMFBMORDPOEW-NSHDSACASA-N 2 2 295.387 -0.100 20 0 CBADLP COC[C@@H](O)C[NH2+]C[C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001381961360 899137695 /nfs/dbraw/zinc/13/76/95/899137695.db2.gz ZHTYTUNLJGCVMI-SRVKXCTJSA-N 2 2 296.371 -0.556 20 0 CBADLP C[C@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)[NH2+]CC(=O)N1CCC1 ZINC001382125334 899161134 /nfs/dbraw/zinc/16/11/34/899161134.db2.gz VVURFPVSDQXWHH-LLVKDONJSA-N 2 2 293.371 -0.379 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]Cc1cscn1 ZINC001382183155 899179301 /nfs/dbraw/zinc/17/93/01/899179301.db2.gz LFELPXVJFABFIW-CMPLNLGQSA-N 2 2 298.412 -0.196 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]Cc1cscn1 ZINC001382183155 899179308 /nfs/dbraw/zinc/17/93/08/899179308.db2.gz LFELPXVJFABFIW-CMPLNLGQSA-N 2 2 298.412 -0.196 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC[C@H](CO)[NH2+]C/C=C\Cl ZINC001382264341 899219040 /nfs/dbraw/zinc/21/90/40/899219040.db2.gz GTZMPRPFLCNOBJ-MXQLGCADSA-N 2 2 286.763 -0.218 20 0 CBADLP C[C@@H]1C[C@H]([NH2+]CC(N)=O)CN1C(=O)CCCn1cc[nH+]c1 ZINC001382305276 899243281 /nfs/dbraw/zinc/24/32/81/899243281.db2.gz BYYHIGOWCOLZOS-NEPJUHHUSA-N 2 2 293.371 -0.272 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N(C)C[C@H](O)C[N@H+](C)CCF ZINC001382458353 899300936 /nfs/dbraw/zinc/30/09/36/899300936.db2.gz HDTIKJNYFKFHMF-GFCCVEGCSA-N 2 2 286.351 -0.088 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N(C)C[C@H](O)C[N@@H+](C)CCF ZINC001382458353 899300946 /nfs/dbraw/zinc/30/09/46/899300946.db2.gz HDTIKJNYFKFHMF-GFCCVEGCSA-N 2 2 286.351 -0.088 20 0 CBADLP CN(C[C@@H](O)C[N@H+](C)Cc1ccon1)C(=O)CC[NH+](C)C ZINC001382465670 899307152 /nfs/dbraw/zinc/30/71/52/899307152.db2.gz KYVXWJQHYCYPNN-ZDUSSCGKSA-N 2 2 298.387 -0.123 20 0 CBADLP CN(C[C@@H](O)C[N@@H+](C)Cc1ccon1)C(=O)CC[NH+](C)C ZINC001382465670 899307165 /nfs/dbraw/zinc/30/71/65/899307165.db2.gz KYVXWJQHYCYPNN-ZDUSSCGKSA-N 2 2 298.387 -0.123 20 0 CBADLP CC(C)N(CC[N@H+](C)CC(N)=O)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001382489123 899316417 /nfs/dbraw/zinc/31/64/17/899316417.db2.gz LQXPPYOAOAFENE-CHWSQXEVSA-N 2 2 298.431 -0.019 20 0 CBADLP CC(C)N(CC[N@@H+](C)CC(N)=O)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001382489123 899316431 /nfs/dbraw/zinc/31/64/31/899316431.db2.gz LQXPPYOAOAFENE-CHWSQXEVSA-N 2 2 298.431 -0.019 20 0 CBADLP CC(C)N(CC[NH+](C)CC(N)=O)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001382489123 899316441 /nfs/dbraw/zinc/31/64/41/899316441.db2.gz LQXPPYOAOAFENE-CHWSQXEVSA-N 2 2 298.431 -0.019 20 0 CBADLP CC(C)N(CC[NH+](C)CC(N)=O)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001382489123 899316457 /nfs/dbraw/zinc/31/64/57/899316457.db2.gz LQXPPYOAOAFENE-CHWSQXEVSA-N 2 2 298.431 -0.019 20 0 CBADLP CC[N@H+](C)CCC(=O)N[C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001386437842 899664321 /nfs/dbraw/zinc/66/43/21/899664321.db2.gz CDRFPYDNQIUQBY-NSHDSACASA-N 2 2 295.387 -0.085 20 0 CBADLP CC[N@@H+](C)CCC(=O)N[C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001386437842 899664330 /nfs/dbraw/zinc/66/43/30/899664330.db2.gz CDRFPYDNQIUQBY-NSHDSACASA-N 2 2 295.387 -0.085 20 0 CBADLP CN(CCNC(=O)CCC[NH+](C)C)C(=O)Cc1c[nH+]c[nH]1 ZINC001387079661 899756949 /nfs/dbraw/zinc/75/69/49/899756949.db2.gz VUBCGVRKUVRXRQ-UHFFFAOYSA-N 2 2 295.387 -0.131 20 0 CBADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)NC(=O)C[NH+]1CCCC1 ZINC001387076449 899757390 /nfs/dbraw/zinc/75/73/90/899757390.db2.gz WVZUXPIFZKBORI-LLVKDONJSA-N 2 2 293.371 -0.331 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)CNC(=O)CC[NH+](C)C ZINC001387099817 899761256 /nfs/dbraw/zinc/76/12/56/899761256.db2.gz BBLQBLWHAZZJEG-SNVBAGLBSA-N 2 2 295.387 -0.167 20 0 CBADLP C[C@@H](CNC(=O)CC[NH+](C)C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001387100650 899761676 /nfs/dbraw/zinc/76/16/76/899761676.db2.gz FDQGNSXKZOMMEY-NSHDSACASA-N 2 2 295.387 -0.085 20 0 CBADLP C[C@@H](CNC(=O)CC[NH+](C)C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001387100650 899761685 /nfs/dbraw/zinc/76/16/85/899761685.db2.gz FDQGNSXKZOMMEY-NSHDSACASA-N 2 2 295.387 -0.085 20 0 CBADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001387182548 899771611 /nfs/dbraw/zinc/77/16/11/899771611.db2.gz FUWVXUHMVHTQMY-CMPLNLGQSA-N 2 2 293.371 -0.333 20 0 CBADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001387182548 899771622 /nfs/dbraw/zinc/77/16/22/899771622.db2.gz FUWVXUHMVHTQMY-CMPLNLGQSA-N 2 2 293.371 -0.333 20 0 CBADLP CC[C@@H](C(=O)NCCN(C)C(=O)Cc1c[nH+]c[nH]1)[NH+](C)C ZINC001387922625 899848464 /nfs/dbraw/zinc/84/84/64/899848464.db2.gz YOSQVFCRBDIAOE-LBPRGKRZSA-N 2 2 295.387 -0.133 20 0 CBADLP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001389288557 899985444 /nfs/dbraw/zinc/98/54/44/899985444.db2.gz YYNRJPWHKJYHAM-MNOVXSKESA-N 2 2 293.371 -0.475 20 0 CBADLP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001389288557 899985449 /nfs/dbraw/zinc/98/54/49/899985449.db2.gz YYNRJPWHKJYHAM-MNOVXSKESA-N 2 2 293.371 -0.475 20 0 CBADLP COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001389795750 900073391 /nfs/dbraw/zinc/07/33/91/900073391.db2.gz SULXARZLVRCLND-STQMWFEESA-N 2 2 296.371 -0.529 20 0 CBADLP C[C@H]([NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1)C(=O)N(C)C ZINC001389811922 900077025 /nfs/dbraw/zinc/07/70/25/900077025.db2.gz HAQNRNSCQOJDSH-QWRGUYRKSA-N 2 2 293.371 -0.381 20 0 CBADLP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1)C(N)=O ZINC001389984493 900101320 /nfs/dbraw/zinc/10/13/20/900101320.db2.gz UYDSTBVFMNFGRR-IEBDPFPHSA-N 2 2 279.344 -0.547 20 0 CBADLP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1)C(N)=O ZINC001389984493 900101328 /nfs/dbraw/zinc/10/13/28/900101328.db2.gz UYDSTBVFMNFGRR-IEBDPFPHSA-N 2 2 279.344 -0.547 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001390079944 900112118 /nfs/dbraw/zinc/11/21/18/900112118.db2.gz RBYOZPGHTAFFLN-RYUDHWBXSA-N 2 2 293.371 -0.415 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CCC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001390079944 900112131 /nfs/dbraw/zinc/11/21/31/900112131.db2.gz RBYOZPGHTAFFLN-RYUDHWBXSA-N 2 2 293.371 -0.415 20 0 CBADLP C[NH+](C)C1(C(=O)NC[C@@H]2CCCC[N@@H+]2CC(N)=O)CCC1 ZINC001390125170 900118102 /nfs/dbraw/zinc/11/81/02/900118102.db2.gz NPEPZGDQRBEPMT-LBPRGKRZSA-N 2 2 296.415 -0.073 20 0 CBADLP C[NH+](C)C1(C(=O)NC[C@@H]2CCCC[N@H+]2CC(N)=O)CCC1 ZINC001390125170 900118115 /nfs/dbraw/zinc/11/81/15/900118115.db2.gz NPEPZGDQRBEPMT-LBPRGKRZSA-N 2 2 296.415 -0.073 20 0 CBADLP C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]Cc1cnns1 ZINC001390318240 900134767 /nfs/dbraw/zinc/13/47/67/900134767.db2.gz HCEHXSKQCLGIQQ-MWLCHTKSSA-N 2 2 299.400 -0.537 20 0 CBADLP C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]Cc1cnns1 ZINC001390318240 900134772 /nfs/dbraw/zinc/13/47/72/900134772.db2.gz HCEHXSKQCLGIQQ-MWLCHTKSSA-N 2 2 299.400 -0.537 20 0 CBADLP C[C@H](CNC(=O)CCn1cc[nH+]c1)[NH2+][C@H]1CCN(C)C1=O ZINC001390461762 900167382 /nfs/dbraw/zinc/16/73/82/900167382.db2.gz SQEVAZDCCULJLT-NEPJUHHUSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@@H]1CCCN(C)C1=O ZINC001390495570 900176333 /nfs/dbraw/zinc/17/63/33/900176333.db2.gz OPDKUTMVNRIXDP-WDEREUQCSA-N 2 2 293.371 -0.333 20 0 CBADLP CN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001390561941 900190177 /nfs/dbraw/zinc/19/01/77/900190177.db2.gz WTUONPRNKXCHPK-LBPRGKRZSA-N 2 2 293.371 -0.448 20 0 CBADLP NC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001390601120 900197042 /nfs/dbraw/zinc/19/70/42/900197042.db2.gz XANHQPPPMKVRPC-LBPRGKRZSA-N 2 2 293.371 -0.413 20 0 CBADLP CC(C)[C@H](C(=O)NC[C@H]1CCC[N@@H+]1CC(N)=O)[NH+](C)C ZINC001391063018 900300930 /nfs/dbraw/zinc/30/09/30/900300930.db2.gz RMCVWDVJLYIZHS-DGCLKSJQSA-N 2 2 284.404 -0.362 20 0 CBADLP COC[C@@H](O)C[N@@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001391115405 900316879 /nfs/dbraw/zinc/31/68/79/900316879.db2.gz IEUMBKMAQBOLNA-STQMWFEESA-N 2 2 296.371 -0.672 20 0 CBADLP COC[C@@H](O)C[N@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001391115405 900316887 /nfs/dbraw/zinc/31/68/87/900316887.db2.gz IEUMBKMAQBOLNA-STQMWFEESA-N 2 2 296.371 -0.672 20 0 CBADLP CC[C@H]([NH2+]CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(N)=O ZINC001391213049 900338907 /nfs/dbraw/zinc/33/89/07/900338907.db2.gz TUJGVCYUBJZELB-MXWKQRLJSA-N 2 2 293.371 -0.175 20 0 CBADLP CC[C@H]([NH2+]CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(N)=O ZINC001391213049 900338913 /nfs/dbraw/zinc/33/89/13/900338913.db2.gz TUJGVCYUBJZELB-MXWKQRLJSA-N 2 2 293.371 -0.175 20 0 CBADLP CC[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(N)=O ZINC001391213045 900339395 /nfs/dbraw/zinc/33/93/95/900339395.db2.gz TUJGVCYUBJZELB-GMTAPVOTSA-N 2 2 293.371 -0.175 20 0 CBADLP CC[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(N)=O ZINC001391213045 900339406 /nfs/dbraw/zinc/33/94/06/900339406.db2.gz TUJGVCYUBJZELB-GMTAPVOTSA-N 2 2 293.371 -0.175 20 0 CBADLP CCCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001391287268 900349600 /nfs/dbraw/zinc/34/96/00/900349600.db2.gz GEYGKHJHFQDXTE-QWHCGFSZSA-N 2 2 296.415 -0.264 20 0 CBADLP CCCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001391287268 900349607 /nfs/dbraw/zinc/34/96/07/900349607.db2.gz GEYGKHJHFQDXTE-QWHCGFSZSA-N 2 2 296.415 -0.264 20 0 CBADLP CCCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001391287268 900349620 /nfs/dbraw/zinc/34/96/20/900349620.db2.gz GEYGKHJHFQDXTE-QWHCGFSZSA-N 2 2 296.415 -0.264 20 0 CBADLP CCCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001391287268 900349631 /nfs/dbraw/zinc/34/96/31/900349631.db2.gz GEYGKHJHFQDXTE-QWHCGFSZSA-N 2 2 296.415 -0.264 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NCC[C@H]1CC[N@H+](CCO)C1 ZINC001391334771 900357711 /nfs/dbraw/zinc/35/77/11/900357711.db2.gz LPNICRDDWZZDGU-LBPRGKRZSA-N 2 2 280.372 -0.217 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NCC[C@H]1CC[N@@H+](CCO)C1 ZINC001391334771 900357725 /nfs/dbraw/zinc/35/77/25/900357725.db2.gz LPNICRDDWZZDGU-LBPRGKRZSA-N 2 2 280.372 -0.217 20 0 CBADLP CC[C@@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)[NH2+]CC(N)=O ZINC001391711009 900435009 /nfs/dbraw/zinc/43/50/09/900435009.db2.gz ZCYPTPCFZGKUJE-MNOVXSKESA-N 2 2 293.371 -0.585 20 0 CBADLP CC[C@@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)[NH2+]CCO ZINC001391710222 900435098 /nfs/dbraw/zinc/43/50/98/900435098.db2.gz WROMYONNLDBUCQ-RYUDHWBXSA-N 2 2 280.372 -0.078 20 0 CBADLP CC[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@@H](CC)C(N)=O ZINC001391731311 900442026 /nfs/dbraw/zinc/44/20/26/900442026.db2.gz YXCZTJKKOIJVHW-KOLCDFICSA-N 2 2 281.360 -0.300 20 0 CBADLP CC[C@@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)[NH2+]CC(N)=O ZINC001391727201 900442515 /nfs/dbraw/zinc/44/25/15/900442515.db2.gz KJKUIZVHTUOAFK-QWRGUYRKSA-N 2 2 281.360 -0.196 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]C[C@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001391911410 900464770 /nfs/dbraw/zinc/46/47/70/900464770.db2.gz KCYNBVKNSMIFCX-RYUDHWBXSA-N 2 2 295.387 -0.250 20 0 CBADLP CC[C@@H]([NH2+]C[C@@H](C)CNC(=O)Cn1cc[nH+]c1)C(N)=O ZINC001391965708 900475088 /nfs/dbraw/zinc/47/50/88/900475088.db2.gz LOCPJZVNCGLEAD-GHMZBOCLSA-N 2 2 281.360 -0.511 20 0 CBADLP C[C@H](C[NH2+][C@@H](C)C(=O)N(C)C)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001392109936 900515529 /nfs/dbraw/zinc/51/55/29/900515529.db2.gz SLSMTQOOYPOWPQ-MNOVXSKESA-N 2 2 295.387 -0.135 20 0 CBADLP CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001392121779 900516022 /nfs/dbraw/zinc/51/60/22/900516022.db2.gz IGYOGACAMGJKOG-JTQLQIEISA-N 2 2 295.387 -0.167 20 0 CBADLP CNC(=O)C[N@H+](C)CCN(C)C(=O)CCC[NH+](C)C ZINC001392299440 900556565 /nfs/dbraw/zinc/55/65/65/900556565.db2.gz HEZVOHBOLMMVES-UHFFFAOYSA-N 2 2 272.393 -0.536 20 0 CBADLP CNC(=O)C[N@@H+](C)CCN(C)C(=O)CCC[NH+](C)C ZINC001392299440 900556569 /nfs/dbraw/zinc/55/65/69/900556569.db2.gz HEZVOHBOLMMVES-UHFFFAOYSA-N 2 2 272.393 -0.536 20 0 CBADLP CC[C@@H](F)C[NH2+]C[C@@H](O)CNC(=O)Cc1c[nH+]cn1C ZINC001392421401 900612817 /nfs/dbraw/zinc/61/28/17/900612817.db2.gz IVPHLPRHAZBNKO-ZYHUDNBSSA-N 2 2 286.351 -0.223 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001392489729 900635734 /nfs/dbraw/zinc/63/57/34/900635734.db2.gz CPYNLGGBPPQVRI-MNOVXSKESA-N 2 2 293.371 -0.714 20 0 CBADLP C[C@H](C[NH2+][C@@H](C)C(=O)N(C)C)NC(=O)CCn1cc[nH+]c1 ZINC001392507225 900639889 /nfs/dbraw/zinc/63/98/89/900639889.db2.gz XUXUGMHLEDCZQK-NEPJUHHUSA-N 2 2 295.387 -0.156 20 0 CBADLP C[C@H](C[NH2+][C@H](C)C(=O)N(C)C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001392509517 900640864 /nfs/dbraw/zinc/64/08/64/900640864.db2.gz BSRZWFNXWXMWKG-NXEZZACHSA-N 2 2 281.360 -0.477 20 0 CBADLP C[C@H](C[NH2+]Cc1cnn(C)c1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001392520957 900643542 /nfs/dbraw/zinc/64/35/42/900643542.db2.gz PGWVXUNNVCKFKL-SNVBAGLBSA-N 2 2 276.344 -0.020 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001392563527 900661335 /nfs/dbraw/zinc/66/13/35/900661335.db2.gz OSVOEUUWMVDIRY-GHMZBOCLSA-N 2 2 293.371 -0.475 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001392563527 900661341 /nfs/dbraw/zinc/66/13/41/900661341.db2.gz OSVOEUUWMVDIRY-GHMZBOCLSA-N 2 2 293.371 -0.475 20 0 CBADLP C[C@@H](C[NH2+][C@@H]1CCNC1=O)NC(=O)CCn1cc[nH+]c1 ZINC001392583252 900668105 /nfs/dbraw/zinc/66/81/05/900668105.db2.gz MPTKORUBEQECFL-WDEREUQCSA-N 2 2 279.344 -0.744 20 0 CBADLP C[C@@H](C[N@H+](C)[C@@H]1CCNC1=O)NC(=O)Cn1cc[nH+]c1 ZINC001392728159 900715326 /nfs/dbraw/zinc/71/53/26/900715326.db2.gz WXHHVRRFRVTNKX-WDEREUQCSA-N 2 2 279.344 -0.792 20 0 CBADLP C[C@@H](C[N@@H+](C)[C@@H]1CCNC1=O)NC(=O)Cn1cc[nH+]c1 ZINC001392728159 900715334 /nfs/dbraw/zinc/71/53/34/900715334.db2.gz WXHHVRRFRVTNKX-WDEREUQCSA-N 2 2 279.344 -0.792 20 0 CBADLP CNC(=O)C[NH2+]C[C@H](NC(=O)Cc1[nH]c[nH+]c1C)C1CC1 ZINC001392800179 900727860 /nfs/dbraw/zinc/72/78/60/900727860.db2.gz GWXFEHMCJZQYHG-LBPRGKRZSA-N 2 2 293.371 -0.509 20 0 CBADLP CC[N@H+](C)CCC(=O)NC[C@@H]1CC[NH+]1[C@H]1CCNC1=O ZINC001392871223 900744200 /nfs/dbraw/zinc/74/42/00/900744200.db2.gz UPWPHOIQCZMQEJ-RYUDHWBXSA-N 2 2 282.388 -0.593 20 0 CBADLP CC[N@@H+](C)CCC(=O)NC[C@@H]1CC[NH+]1[C@H]1CCNC1=O ZINC001392871223 900744209 /nfs/dbraw/zinc/74/42/09/900744209.db2.gz UPWPHOIQCZMQEJ-RYUDHWBXSA-N 2 2 282.388 -0.593 20 0 CBADLP CC[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+]1[C@H]1CCNC1=O ZINC001392871223 900744216 /nfs/dbraw/zinc/74/42/16/900744216.db2.gz UPWPHOIQCZMQEJ-RYUDHWBXSA-N 2 2 282.388 -0.593 20 0 CBADLP CC[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+]1[C@H]1CCNC1=O ZINC001392871223 900744223 /nfs/dbraw/zinc/74/42/23/900744223.db2.gz UPWPHOIQCZMQEJ-RYUDHWBXSA-N 2 2 282.388 -0.593 20 0 CBADLP COC[C@H](O)C[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001392861298 900744933 /nfs/dbraw/zinc/74/49/33/900744933.db2.gz QDJFYUQKPWAXLS-MJBXVCDLSA-N 2 2 299.415 -0.332 20 0 CBADLP COC[C@H](O)C[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001392861298 900744948 /nfs/dbraw/zinc/74/49/48/900744948.db2.gz QDJFYUQKPWAXLS-MJBXVCDLSA-N 2 2 299.415 -0.332 20 0 CBADLP COC[C@H](O)C[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001392861298 900744954 /nfs/dbraw/zinc/74/49/54/900744954.db2.gz QDJFYUQKPWAXLS-MJBXVCDLSA-N 2 2 299.415 -0.332 20 0 CBADLP COC[C@H](O)C[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001392861298 900744967 /nfs/dbraw/zinc/74/49/67/900744967.db2.gz QDJFYUQKPWAXLS-MJBXVCDLSA-N 2 2 299.415 -0.332 20 0 CBADLP NC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001392921392 900762213 /nfs/dbraw/zinc/76/22/13/900762213.db2.gz XTTUIEJYBFGXBO-SNVBAGLBSA-N 2 2 291.355 -0.831 20 0 CBADLP COC[C@H](O)C[NH2+]C1(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001392961091 900768933 /nfs/dbraw/zinc/76/89/33/900768933.db2.gz AENJITZJBDFSTP-LLVKDONJSA-N 2 2 282.344 -0.871 20 0 CBADLP C[C@@H](CNC(=O)CC[NH+](C)C)NC(=O)Cc1c[nH+]cn1C ZINC001392958734 900770080 /nfs/dbraw/zinc/77/00/80/900770080.db2.gz YPDWVGNJYFXHGK-NSHDSACASA-N 2 2 295.387 -0.465 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001393026425 900781998 /nfs/dbraw/zinc/78/19/98/900781998.db2.gz OSVOEUUWMVDIRY-WDEREUQCSA-N 2 2 293.371 -0.475 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001393026425 900782003 /nfs/dbraw/zinc/78/20/03/900782003.db2.gz OSVOEUUWMVDIRY-WDEREUQCSA-N 2 2 293.371 -0.475 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)Cc1c[nH+]cn1C ZINC001393049616 900788030 /nfs/dbraw/zinc/78/80/30/900788030.db2.gz BPUNYTXJYHLAFB-NSHDSACASA-N 2 2 293.371 -0.711 20 0 CBADLP CNC(=O)C[NH2+]C[C@@]1(C)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001393168787 900800628 /nfs/dbraw/zinc/80/06/28/900800628.db2.gz QISSYNQJPJYDQF-CQSZACIVSA-N 2 2 293.371 -0.543 20 0 CBADLP O=C(CCn1cc[nH+]c1)NC[C@@]1(O)CC[N@@H+](CCCO)C1 ZINC001393261698 900819226 /nfs/dbraw/zinc/81/92/26/900819226.db2.gz KLLQZADRSPNGCS-AWEZNQCLSA-N 2 2 296.371 -0.791 20 0 CBADLP O=C(CCn1cc[nH+]c1)NC[C@@]1(O)CC[N@H+](CCCO)C1 ZINC001393261698 900819235 /nfs/dbraw/zinc/81/92/35/900819235.db2.gz KLLQZADRSPNGCS-AWEZNQCLSA-N 2 2 296.371 -0.791 20 0 CBADLP CC[NH+]1CC(O)(CNC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001393314327 900838491 /nfs/dbraw/zinc/83/84/91/900838491.db2.gz CROGRYHRJNJZFV-UHFFFAOYSA-N 2 2 299.415 -0.472 20 0 CBADLP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1(O)C[NH+](C[C@H](C)O)C1 ZINC001393358000 900847277 /nfs/dbraw/zinc/84/72/77/900847277.db2.gz JKKRMRMYNIBHGH-STQMWFEESA-N 2 2 299.415 -0.596 20 0 CBADLP CC[N@H+]1CCCC[C@H]1C(=O)NCC1(O)C[NH+](C[C@H](C)O)C1 ZINC001393358000 900847280 /nfs/dbraw/zinc/84/72/80/900847280.db2.gz JKKRMRMYNIBHGH-STQMWFEESA-N 2 2 299.415 -0.596 20 0 CBADLP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+]CC(N)=O ZINC001393396672 900851294 /nfs/dbraw/zinc/85/12/94/900851294.db2.gz NVBFFJZWCOIJGT-VHSXEESVSA-N 2 2 279.344 -0.878 20 0 CBADLP CCC[N@H+](C)CC(=O)NC[C@H]1CCC2(C[NH+](CCO)C2)O1 ZINC001393671387 900890006 /nfs/dbraw/zinc/89/00/06/900890006.db2.gz PXTUGLALUJKDSB-CYBMUJFWSA-N 2 2 299.415 -0.330 20 0 CBADLP CCC[N@@H+](C)CC(=O)NC[C@H]1CCC2(C[NH+](CCO)C2)O1 ZINC001393671387 900890014 /nfs/dbraw/zinc/89/00/14/900890014.db2.gz PXTUGLALUJKDSB-CYBMUJFWSA-N 2 2 299.415 -0.330 20 0 CBADLP CCC1([NH2+]CC(N)=O)CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001393677615 900894142 /nfs/dbraw/zinc/89/41/42/900894142.db2.gz CAICDTZBLDCIGD-UHFFFAOYSA-N 2 2 293.371 -0.202 20 0 CBADLP C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](C)[NH2+]Cc1nnn(C)n1 ZINC001393966557 900942652 /nfs/dbraw/zinc/94/26/52/900942652.db2.gz QFKVRGDNVIEJHG-WDEREUQCSA-N 2 2 297.407 -0.465 20 0 CBADLP CCCNC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001393976507 900944219 /nfs/dbraw/zinc/94/42/19/900944219.db2.gz BISQRCSZBCJCPE-WDEREUQCSA-N 2 2 295.387 -0.039 20 0 CBADLP C[C@H](NC(=O)Cc1c[nH]c[nH+]1)[C@H](C)[NH2+]CC(=O)N1CCC1 ZINC001393972858 900944677 /nfs/dbraw/zinc/94/46/77/900944677.db2.gz DZAUIVPXASKOAF-QWRGUYRKSA-N 2 2 293.371 -0.333 20 0 CBADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](CC(N)=O)CC1(C)C)[NH+](C)C ZINC001394288088 901008393 /nfs/dbraw/zinc/00/83/93/901008393.db2.gz QMRUXYURMZBBCI-GHMZBOCLSA-N 2 2 284.404 -0.362 20 0 CBADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CC(N)=O)CC1(C)C)[NH+](C)C ZINC001394288088 901008404 /nfs/dbraw/zinc/00/84/04/901008404.db2.gz QMRUXYURMZBBCI-GHMZBOCLSA-N 2 2 284.404 -0.362 20 0 CBADLP C[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1)C(N)=O ZINC001394385256 901024180 /nfs/dbraw/zinc/02/41/80/901024180.db2.gz WXSMSEOYOJKVEK-OPRDCNLKSA-N 2 2 279.344 -0.690 20 0 CBADLP C[C@@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)[NH2+]CC(=O)NC1CC1 ZINC001394537694 901045405 /nfs/dbraw/zinc/04/54/05/901045405.db2.gz YJGDTNQZPZRQMX-JTQLQIEISA-N 2 2 293.371 -0.333 20 0 CBADLP CNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001394554169 901050097 /nfs/dbraw/zinc/05/00/97/901050097.db2.gz ZHLVEHIJXQQKSX-WDEREUQCSA-N 2 2 295.387 -0.229 20 0 CBADLP CNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001394554169 901050106 /nfs/dbraw/zinc/05/01/06/901050106.db2.gz ZHLVEHIJXQQKSX-WDEREUQCSA-N 2 2 295.387 -0.229 20 0 CBADLP CNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001394554166 901051629 /nfs/dbraw/zinc/05/16/29/901051629.db2.gz ZHLVEHIJXQQKSX-MNOVXSKESA-N 2 2 295.387 -0.229 20 0 CBADLP CNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001394554166 901051642 /nfs/dbraw/zinc/05/16/42/901051642.db2.gz ZHLVEHIJXQQKSX-MNOVXSKESA-N 2 2 295.387 -0.229 20 0 CBADLP CNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001394666155 901115803 /nfs/dbraw/zinc/11/58/03/901115803.db2.gz FZJJHBKXDMWHJL-VHSXEESVSA-N 2 2 279.344 -0.723 20 0 CBADLP CNC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC1(C)C ZINC001394724982 901127050 /nfs/dbraw/zinc/12/70/50/901127050.db2.gz LLGSQDUKBAOSLO-LLVKDONJSA-N 2 2 293.371 -0.544 20 0 CBADLP Cc1noc(C[NH2+]C[C@H](O)CN(C)C(=O)CC[NH+](C)C)n1 ZINC001394762605 901142466 /nfs/dbraw/zinc/14/24/66/901142466.db2.gz POKWPFVVMWMXDR-NSHDSACASA-N 2 2 299.375 -0.761 20 0 CBADLP Cc1noc(C[NH2+]C[C@@H](O)CN(C)C(=O)CC[NH+](C)C)n1 ZINC001394762594 901142732 /nfs/dbraw/zinc/14/27/32/901142732.db2.gz POKWPFVVMWMXDR-LLVKDONJSA-N 2 2 299.375 -0.761 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]C1CC(N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001394856290 901166728 /nfs/dbraw/zinc/16/67/28/901166728.db2.gz FUODXNWTCVHMDO-VOMCLLRMSA-N 2 2 293.371 -0.403 20 0 CBADLP C[NH+](C)CCC(=O)N1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001396731151 901332878 /nfs/dbraw/zinc/33/28/78/901332878.db2.gz GAQVXKVYXOOPBH-UHFFFAOYSA-N 2 2 293.371 -0.425 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)C[NH+](C)C(C)C ZINC001397046095 901360157 /nfs/dbraw/zinc/36/01/57/901360157.db2.gz RMNQEFQXUAGVKR-QWHCGFSZSA-N 2 2 298.431 -0.006 20 0 CBADLP CNC(=O)[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)C[NH+](C)C(C)C ZINC001397046095 901360169 /nfs/dbraw/zinc/36/01/69/901360169.db2.gz RMNQEFQXUAGVKR-QWHCGFSZSA-N 2 2 298.431 -0.006 20 0 CBADLP CNC(=O)[C@H](C)[NH+]1CC[C@@H]1CN(C)C(=O)C[N@H+](C)C(C)C ZINC001397046095 901360176 /nfs/dbraw/zinc/36/01/76/901360176.db2.gz RMNQEFQXUAGVKR-QWHCGFSZSA-N 2 2 298.431 -0.006 20 0 CBADLP CNC(=O)[C@H](C)[NH+]1CC[C@@H]1CN(C)C(=O)C[N@@H+](C)C(C)C ZINC001397046095 901360187 /nfs/dbraw/zinc/36/01/87/901360187.db2.gz RMNQEFQXUAGVKR-QWHCGFSZSA-N 2 2 298.431 -0.006 20 0 CBADLP CC[NH+](CC)CC(=O)N[C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001397480666 901418739 /nfs/dbraw/zinc/41/87/39/901418739.db2.gz DGXACWPZAMLQGQ-LBPRGKRZSA-N 2 2 295.387 -0.154 20 0 CBADLP CN(CCNC(=O)Cc1c[nH]c[nH+]1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001398060930 901497521 /nfs/dbraw/zinc/49/75/21/901497521.db2.gz VTKILTOEDZKJLG-NSHDSACASA-N 2 2 293.371 -0.522 20 0 CBADLP CN(CCNC(=O)Cc1c[nH]c[nH+]1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001398060930 901497529 /nfs/dbraw/zinc/49/75/29/901497529.db2.gz VTKILTOEDZKJLG-NSHDSACASA-N 2 2 293.371 -0.522 20 0 CBADLP CC[C@@H]([NH2+][C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C1CC1)C(N)=O ZINC001398440579 901537250 /nfs/dbraw/zinc/53/72/50/901537250.db2.gz LEBZBRXZCXKWOQ-NEPJUHHUSA-N 2 2 293.371 -0.300 20 0 CBADLP C[C@H]([NH2+][C@H](CNC(=O)Cc1c[nH]c[nH+]1)C1CC1)C(N)=O ZINC001398437420 901537662 /nfs/dbraw/zinc/53/76/62/901537662.db2.gz ANTYDUNHQGNLJD-GZMMTYOYSA-N 2 2 279.344 -0.690 20 0 CBADLP C[NH+](C)CCC(=O)N1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001398681217 901588303 /nfs/dbraw/zinc/58/83/03/901588303.db2.gz QDVPUTSOSRZLBI-UHFFFAOYSA-N 2 2 279.344 -0.769 20 0 CBADLP C[C@@H](CNC(=O)c1cccc2[nH+]ccn21)[NH2+]CC(N)=O ZINC001398998009 901644192 /nfs/dbraw/zinc/64/41/92/901644192.db2.gz AGYPKUOXEJCSEP-VIFPVBQESA-N 2 2 275.312 -0.473 20 0 CBADLP C[C@@H](CCNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@@H]1CCCNC1=O ZINC001399394568 901707605 /nfs/dbraw/zinc/70/76/05/901707605.db2.gz HENVDRMOVRTZRN-WDEREUQCSA-N 2 2 293.371 -0.285 20 0 CBADLP CC[N@H+](CCNC(=O)CCc1c[nH+]cn1C)[C@@H](C)C(N)=O ZINC001399804760 901808238 /nfs/dbraw/zinc/80/82/38/901808238.db2.gz GWUOOTMYLGYKHX-NSHDSACASA-N 2 2 295.387 -0.335 20 0 CBADLP CC[N@@H+](CCNC(=O)CCc1c[nH+]cn1C)[C@@H](C)C(N)=O ZINC001399804760 901808244 /nfs/dbraw/zinc/80/82/44/901808244.db2.gz GWUOOTMYLGYKHX-NSHDSACASA-N 2 2 295.387 -0.335 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001399944967 901842530 /nfs/dbraw/zinc/84/25/30/901842530.db2.gz LZSNEVRQKZTAQP-NSHDSACASA-N 2 2 279.344 -0.885 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001399944967 901842542 /nfs/dbraw/zinc/84/25/42/901842542.db2.gz LZSNEVRQKZTAQP-NSHDSACASA-N 2 2 279.344 -0.885 20 0 CBADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)NC(=O)CCC[NH+](C)C ZINC001400072222 901875017 /nfs/dbraw/zinc/87/50/17/901875017.db2.gz JNMIQXJNFUVTQB-LLVKDONJSA-N 2 2 295.387 -0.085 20 0 CBADLP CO[C@H](C)C[NH+]1CC(NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001400448515 901942299 /nfs/dbraw/zinc/94/22/99/901942299.db2.gz JCSHGPAFOBWPMM-CHWSQXEVSA-N 2 2 299.415 -0.210 20 0 CBADLP CCNC(=O)C[NH+]1CC(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001400522970 901960105 /nfs/dbraw/zinc/96/01/05/901960105.db2.gz GJLRKTRSXSXGON-UHFFFAOYSA-N 2 2 296.415 -0.488 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001400534707 901965304 /nfs/dbraw/zinc/96/53/04/901965304.db2.gz XVOAMLXOXXCHIX-JTQLQIEISA-N 2 2 282.388 -0.750 20 0 CBADLP COC[C@H](O)C[NH+]1CC(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001400542817 901966403 /nfs/dbraw/zinc/96/64/03/901966403.db2.gz APTSIWKCNAOTIF-CYBMUJFWSA-N 2 2 296.371 -0.982 20 0 CBADLP CC(C)[C@H](C(=O)NCC1C[NH+](CC(=O)N(C)C)C1)[NH+](C)C ZINC001400550122 901967223 /nfs/dbraw/zinc/96/72/23/901967223.db2.gz WGDOTGYJCCORQJ-CQSZACIVSA-N 2 2 298.431 -0.291 20 0 CBADLP CC(C)NC(=O)C[NH+]1CC(CNC(=O)C[NH+]2CCCC2)C1 ZINC001400560785 901967516 /nfs/dbraw/zinc/96/75/16/901967516.db2.gz KAKKUNRJKCOBKE-UHFFFAOYSA-N 2 2 296.415 -0.345 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)C2([NH+](C)C)CCC2)C1 ZINC001400709186 902000717 /nfs/dbraw/zinc/00/07/17/902000717.db2.gz KVUDYIVMVIRPHN-NWDGAFQWSA-N 2 2 296.415 -0.123 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)C2([NH+](C)C)CCC2)C1 ZINC001400709186 902000727 /nfs/dbraw/zinc/00/07/27/902000727.db2.gz KVUDYIVMVIRPHN-NWDGAFQWSA-N 2 2 296.415 -0.123 20 0 CBADLP COC[C@@H](O)C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001400734727 902004131 /nfs/dbraw/zinc/00/41/31/902004131.db2.gz SPTOITKOWPARTJ-OLZOCXBDSA-N 2 2 296.371 -0.508 20 0 CBADLP COC[C@@H](O)C[N@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001400734727 902004145 /nfs/dbraw/zinc/00/41/45/902004145.db2.gz SPTOITKOWPARTJ-OLZOCXBDSA-N 2 2 296.371 -0.508 20 0 CBADLP CC[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CC(=O)N(C)CC ZINC001400834617 902024589 /nfs/dbraw/zinc/02/45/89/902024589.db2.gz HLKQQHFKZJPEPE-NSHDSACASA-N 2 2 295.387 -0.085 20 0 CBADLP Cn1nnc(C[NH2+]C[C@H]2CCCN2C(=O)CC[NH+](C)C)n1 ZINC001401087112 902048473 /nfs/dbraw/zinc/04/84/73/902048473.db2.gz NXCNWPQCNMEWQI-LLVKDONJSA-N 2 2 295.391 -0.758 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001401149202 902063882 /nfs/dbraw/zinc/06/38/82/902063882.db2.gz WVKAIBJGJRRPNR-NEPJUHHUSA-N 2 2 295.387 -0.078 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NC[C@H]1C[N@H+](CCCO)CCO1 ZINC001401158737 902067336 /nfs/dbraw/zinc/06/73/36/902067336.db2.gz HPHKLSYOXZJKIF-ZDUSSCGKSA-N 2 2 296.371 -0.609 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NC[C@H]1C[N@@H+](CCCO)CCO1 ZINC001401158737 902067341 /nfs/dbraw/zinc/06/73/41/902067341.db2.gz HPHKLSYOXZJKIF-ZDUSSCGKSA-N 2 2 296.371 -0.609 20 0 CBADLP CC[C@H]([NH2+]C[C@@H](C)N(C)C(=O)CCn1cc[nH+]c1)C(N)=O ZINC001401234678 902087981 /nfs/dbraw/zinc/08/79/81/902087981.db2.gz QRRGFVDDBJXULY-NEPJUHHUSA-N 2 2 295.387 -0.026 20 0 CBADLP C[C@@H](C[NH2+]Cc1cnnn1C)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001401243199 902091222 /nfs/dbraw/zinc/09/12/22/902091222.db2.gz NIQPZLWQQXJVEU-JTQLQIEISA-N 2 2 291.359 -0.283 20 0 CBADLP CC(C)[C@@H](CNC(=O)CC[NH+](C)C)[NH2+][C@H]1CCN(C)C1=O ZINC001401330514 902104832 /nfs/dbraw/zinc/10/48/32/902104832.db2.gz AQPGAUMTXVQDNP-QWHCGFSZSA-N 2 2 298.431 -0.101 20 0 CBADLP CC(C)[C@H](CNC(=O)CC[NH+](C)C)[NH2+][C@H]1CCN(C)C1=O ZINC001401330520 902107159 /nfs/dbraw/zinc/10/71/59/902107159.db2.gz AQPGAUMTXVQDNP-STQMWFEESA-N 2 2 298.431 -0.101 20 0 CBADLP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)CC(=O)NC ZINC001401371423 902114008 /nfs/dbraw/zinc/11/40/08/902114008.db2.gz MWDCDBDDFYNOMQ-ZDUSSCGKSA-N 2 2 298.431 -0.003 20 0 CBADLP CCC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)CC(=O)NC ZINC001401371423 902114013 /nfs/dbraw/zinc/11/40/13/902114013.db2.gz MWDCDBDDFYNOMQ-ZDUSSCGKSA-N 2 2 298.431 -0.003 20 0 CBADLP CCC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)CC(=O)NC ZINC001401371423 902114022 /nfs/dbraw/zinc/11/40/22/902114022.db2.gz MWDCDBDDFYNOMQ-ZDUSSCGKSA-N 2 2 298.431 -0.003 20 0 CBADLP CCC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)CC(=O)NC ZINC001401371423 902114037 /nfs/dbraw/zinc/11/40/37/902114037.db2.gz MWDCDBDDFYNOMQ-ZDUSSCGKSA-N 2 2 298.431 -0.003 20 0 CBADLP CNC(=O)[C@H](C)[N@H+](C)CCN(C)C(=O)Cn1cc[nH+]c1C ZINC001401433135 902124806 /nfs/dbraw/zinc/12/48/06/902124806.db2.gz CWVAZEBXFFBPOI-NSHDSACASA-N 2 2 295.387 -0.284 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+](C)CCN(C)C(=O)Cn1cc[nH+]c1C ZINC001401433135 902124812 /nfs/dbraw/zinc/12/48/12/902124812.db2.gz CWVAZEBXFFBPOI-NSHDSACASA-N 2 2 295.387 -0.284 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N(C)CC[N@H+](C)[C@H]1CCNC1=O ZINC001401443595 902129390 /nfs/dbraw/zinc/12/93/90/902129390.db2.gz ZJAWJZBTWAGGAM-LBPRGKRZSA-N 2 2 293.371 -0.530 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N(C)CC[N@@H+](C)[C@H]1CCNC1=O ZINC001401443595 902129394 /nfs/dbraw/zinc/12/93/94/902129394.db2.gz ZJAWJZBTWAGGAM-LBPRGKRZSA-N 2 2 293.371 -0.530 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]Cc1ccon1 ZINC001401514787 902156088 /nfs/dbraw/zinc/15/60/88/902156088.db2.gz ZFXIQCGTPGDJHV-NEPJUHHUSA-N 2 2 282.344 -0.665 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]Cc1ccon1 ZINC001401514787 902156101 /nfs/dbraw/zinc/15/61/01/902156101.db2.gz ZFXIQCGTPGDJHV-NEPJUHHUSA-N 2 2 282.344 -0.665 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1ccon1 ZINC001401514797 902157264 /nfs/dbraw/zinc/15/72/64/902157264.db2.gz ZFXIQCGTPGDJHV-RYUDHWBXSA-N 2 2 282.344 -0.665 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1ccon1 ZINC001401514797 902157270 /nfs/dbraw/zinc/15/72/70/902157270.db2.gz ZFXIQCGTPGDJHV-RYUDHWBXSA-N 2 2 282.344 -0.665 20 0 CBADLP Cc1nnc([C@@H](C)[NH2+]C[C@H](O)CNC(=O)CC[NH+](C)C)o1 ZINC001401558182 902166368 /nfs/dbraw/zinc/16/63/68/902166368.db2.gz PUAUWGDIFNQJRC-KOLCDFICSA-N 2 2 299.375 -0.543 20 0 CBADLP C[C@H](CC[NH2+][C@@H]1CCCNC1=O)NC(=O)Cc1c[nH]c[nH+]1 ZINC001401592767 902178061 /nfs/dbraw/zinc/17/80/61/902178061.db2.gz QDFXJPPUGUTWKL-ZYHUDNBSSA-N 2 2 293.371 -0.285 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]CC[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001401593581 902182018 /nfs/dbraw/zinc/18/20/18/902182018.db2.gz AKZCBUSOTYKRLU-ONGXEEELSA-N 2 2 295.387 -0.120 20 0 CBADLP CCN1CC[C@H]([NH2+]C[C@@H](C)NC(=O)Cc2c[nH]c[nH+]2)C1=O ZINC001401644149 902205199 /nfs/dbraw/zinc/20/51/99/902205199.db2.gz JPNALLULRNTYJE-PWSUYJOCSA-N 2 2 293.371 -0.333 20 0 CBADLP C[C@H](C[NH2+]Cc1nccn1C)NC(=O)Cc1c[nH+]cn1C ZINC001401650560 902207711 /nfs/dbraw/zinc/20/77/11/902207711.db2.gz DBDUFUVGFYMSBV-LLVKDONJSA-N 2 2 290.371 -0.009 20 0 CBADLP C[C@@H](C[NH2+]CC(N)=O)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001401689419 902232717 /nfs/dbraw/zinc/23/27/17/902232717.db2.gz IIAWQIFATPLHMS-UWVGGRQHSA-N 2 2 279.344 -0.975 20 0 CBADLP C[C@@H](C[NH2+]Cc1ccnn1C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001401704473 902238472 /nfs/dbraw/zinc/23/84/72/902238472.db2.gz DRQJYWBYLWUWDD-JTQLQIEISA-N 2 2 276.344 -0.020 20 0 CBADLP C[C@@H](C[NH2+]CC(=O)NC1CC1)NC(=O)Cn1cc[nH+]c1 ZINC001401726225 902245285 /nfs/dbraw/zinc/24/52/85/902245285.db2.gz GSXOCFITOAYCCY-JTQLQIEISA-N 2 2 279.344 -0.744 20 0 CBADLP C[C@H](C[N@H+](C)CCO)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001401762220 902264495 /nfs/dbraw/zinc/26/44/95/902264495.db2.gz NQVZOADYBFICRN-VXGBXAGGSA-N 2 2 280.372 -0.126 20 0 CBADLP C[C@H](C[N@@H+](C)CCO)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001401762220 902264508 /nfs/dbraw/zinc/26/45/08/902264508.db2.gz NQVZOADYBFICRN-VXGBXAGGSA-N 2 2 280.372 -0.126 20 0 CBADLP CNC(=O)C[NH2+]C[C@H](NC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001401863772 902292393 /nfs/dbraw/zinc/29/23/93/902292393.db2.gz DVHWLOZKMNSPGN-NSHDSACASA-N 2 2 279.344 -0.887 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)CC ZINC001401923703 902313235 /nfs/dbraw/zinc/31/32/35/902313235.db2.gz LUXIGMPSHIPSNQ-NEPJUHHUSA-N 2 2 284.404 -0.217 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)CC ZINC001401923703 902313242 /nfs/dbraw/zinc/31/32/42/902313242.db2.gz LUXIGMPSHIPSNQ-NEPJUHHUSA-N 2 2 284.404 -0.217 20 0 CBADLP CC[C@@H](C(N)=O)[NH+]1CC[C@@H]1CNC(=O)CC[N@H+](C)CC ZINC001401923703 902313259 /nfs/dbraw/zinc/31/32/59/902313259.db2.gz LUXIGMPSHIPSNQ-NEPJUHHUSA-N 2 2 284.404 -0.217 20 0 CBADLP CC[C@@H](C(N)=O)[NH+]1CC[C@@H]1CNC(=O)CC[N@@H+](C)CC ZINC001401923703 902313275 /nfs/dbraw/zinc/31/32/75/902313275.db2.gz LUXIGMPSHIPSNQ-NEPJUHHUSA-N 2 2 284.404 -0.217 20 0 CBADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1([NH2+]CC(N)=O)CC1 ZINC001401969868 902326291 /nfs/dbraw/zinc/32/62/91/902326291.db2.gz NTGQGFPUUWYKKI-NXEZZACHSA-N 2 2 291.355 -0.753 20 0 CBADLP CN1CC[C@H]([NH2+]C2(CNC(=O)Cc3c[nH]c[nH+]3)CC2)C1=O ZINC001401964655 902327993 /nfs/dbraw/zinc/32/79/93/902327993.db2.gz VDJDTXKVNAYYNG-NSHDSACASA-N 2 2 291.355 -0.579 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)NCC2(O)C[NH+](CC3CCC3)C2)C1 ZINC001402310589 902419729 /nfs/dbraw/zinc/41/97/29/902419729.db2.gz TXMZIUQZVLEXII-ZDUSSCGKSA-N 2 2 297.399 -0.720 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)NCC2(O)C[NH+](CC3CCC3)C2)C1 ZINC001402310589 902419738 /nfs/dbraw/zinc/41/97/38/902419738.db2.gz TXMZIUQZVLEXII-ZDUSSCGKSA-N 2 2 297.399 -0.720 20 0 CBADLP CC[NH+]1CC(O)(CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001402353777 902431855 /nfs/dbraw/zinc/43/18/55/902431855.db2.gz GFYLKURVYBDFEL-UHFFFAOYSA-N 2 2 285.388 -0.720 20 0 CBADLP COC[C@H](C)[NH+]1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001402385638 902440058 /nfs/dbraw/zinc/44/00/58/902440058.db2.gz LQDNQBFMGLIKJF-NWDGAFQWSA-N 2 2 285.388 -0.864 20 0 CBADLP COC[C@H](C)[NH+]1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001402385638 902440065 /nfs/dbraw/zinc/44/00/65/902440065.db2.gz LQDNQBFMGLIKJF-NWDGAFQWSA-N 2 2 285.388 -0.864 20 0 CBADLP CNC(=O)C[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001402413483 902446656 /nfs/dbraw/zinc/44/66/56/902446656.db2.gz FSKLVKUBACYRBR-MNOVXSKESA-N 2 2 293.371 -0.618 20 0 CBADLP CC(C)[N@@H+]1CCC[C@@](CO)(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001402449047 902451156 /nfs/dbraw/zinc/45/11/56/902451156.db2.gz LPRAWSLMSWUHCH-UKRRQHHQSA-N 2 2 299.415 -0.332 20 0 CBADLP CC(C)[N@H+]1CCC[C@@](CO)(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001402449047 902451160 /nfs/dbraw/zinc/45/11/60/902451160.db2.gz LPRAWSLMSWUHCH-UKRRQHHQSA-N 2 2 299.415 -0.332 20 0 CBADLP CC(C)[NH+]1CCC[C@@](CO)(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001402449047 902451164 /nfs/dbraw/zinc/45/11/64/902451164.db2.gz LPRAWSLMSWUHCH-UKRRQHHQSA-N 2 2 299.415 -0.332 20 0 CBADLP CC(C)[NH+]1CCC[C@@](CO)(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001402449047 902451168 /nfs/dbraw/zinc/45/11/68/902451168.db2.gz LPRAWSLMSWUHCH-UKRRQHHQSA-N 2 2 299.415 -0.332 20 0 CBADLP CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1)C(N)=O ZINC001402500715 902466516 /nfs/dbraw/zinc/46/65/16/902466516.db2.gz IRBQEKLLIOTBKI-SRVKXCTJSA-N 2 2 293.371 -0.157 20 0 CBADLP CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1)C(N)=O ZINC001402500715 902466523 /nfs/dbraw/zinc/46/65/23/902466523.db2.gz IRBQEKLLIOTBKI-SRVKXCTJSA-N 2 2 293.371 -0.157 20 0 CBADLP CNC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C ZINC001402779140 902519521 /nfs/dbraw/zinc/51/95/21/902519521.db2.gz AOUCERGBMSOJJP-GXSJLCMTSA-N 2 2 279.344 -0.865 20 0 CBADLP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1[NH2+]CC(=O)N(C)C ZINC001402796221 902523067 /nfs/dbraw/zinc/52/30/67/902523067.db2.gz SIKSGMGMHFHXSE-JQWIXIFHSA-N 2 2 293.371 -0.523 20 0 CBADLP O=C(CCn1cc[nH+]c1)NC1(CO)CC[NH+](CCO)CC1 ZINC001402879667 902550473 /nfs/dbraw/zinc/55/04/73/902550473.db2.gz UVROIYWJCDQWIS-UHFFFAOYSA-N 2 2 296.371 -0.791 20 0 CBADLP C[N@H+](CCO)C[C@H]1CCCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC001402898459 902556746 /nfs/dbraw/zinc/55/67/46/902556746.db2.gz BKWRFKPJJGHPJK-CHWSQXEVSA-N 2 2 285.388 -0.768 20 0 CBADLP C[N@@H+](CCO)C[C@H]1CCCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC001402898459 902556750 /nfs/dbraw/zinc/55/67/50/902556750.db2.gz BKWRFKPJJGHPJK-CHWSQXEVSA-N 2 2 285.388 -0.768 20 0 CBADLP C[NH+](CCO)C[C@H]1CCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001402898459 902556755 /nfs/dbraw/zinc/55/67/55/902556755.db2.gz BKWRFKPJJGHPJK-CHWSQXEVSA-N 2 2 285.388 -0.768 20 0 CBADLP C[NH+](CCO)C[C@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001402898459 902556761 /nfs/dbraw/zinc/55/67/61/902556761.db2.gz BKWRFKPJJGHPJK-CHWSQXEVSA-N 2 2 285.388 -0.768 20 0 CBADLP CCNC(=O)C[NH2+][C@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001402918524 902560802 /nfs/dbraw/zinc/56/08/02/902560802.db2.gz VQPOIMWRHFUTKL-SNVBAGLBSA-N 2 2 281.360 -0.427 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001402994045 902587905 /nfs/dbraw/zinc/58/79/05/902587905.db2.gz YSVIJAIZBNZVFO-WDEREUQCSA-N 2 2 281.360 -0.498 20 0 CBADLP CNC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001403043598 902597322 /nfs/dbraw/zinc/59/73/22/902597322.db2.gz ZGHYUJIRSFYBCE-WDEREUQCSA-N 2 2 295.387 -0.419 20 0 CBADLP C[C@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)[NH2+]CC(=O)N(C)C ZINC001403055905 902601234 /nfs/dbraw/zinc/60/12/34/902601234.db2.gz UYTFCMJELPCEAK-QWRGUYRKSA-N 2 2 281.360 -0.546 20 0 CBADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]Cc1ccnn1C ZINC001403057882 902603503 /nfs/dbraw/zinc/60/35/03/902603503.db2.gz OVGRAMFYIXWXIB-SNVBAGLBSA-N 2 2 276.344 -0.020 20 0 CBADLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+][C@H]1CCN(C)C1=O ZINC001403088378 902611795 /nfs/dbraw/zinc/61/17/95/902611795.db2.gz VFTOETJBGHKLCX-JQWIXIFHSA-N 2 2 293.371 -0.712 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001403096902 902615317 /nfs/dbraw/zinc/61/53/17/902615317.db2.gz NITNYXBFXYWABE-WCBMZHEXSA-N 2 2 281.360 -0.511 20 0 CBADLP CNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001403132949 902627905 /nfs/dbraw/zinc/62/79/05/902627905.db2.gz BZGYTRDOAANOCC-JTQLQIEISA-N 2 2 281.360 -0.626 20 0 CBADLP CNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001403132949 902627900 /nfs/dbraw/zinc/62/79/00/902627900.db2.gz BZGYTRDOAANOCC-JTQLQIEISA-N 2 2 281.360 -0.626 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+](C)[C@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001403162348 902634748 /nfs/dbraw/zinc/63/47/48/902634748.db2.gz YMWWACZSTOQXHL-NEPJUHHUSA-N 2 2 295.387 -0.026 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+](C)[C@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001403162348 902634744 /nfs/dbraw/zinc/63/47/44/902634744.db2.gz YMWWACZSTOQXHL-NEPJUHHUSA-N 2 2 295.387 -0.026 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001403217633 902650620 /nfs/dbraw/zinc/65/06/20/902650620.db2.gz VGUSMZUYZCSZQB-QWRGUYRKSA-N 2 2 279.344 -0.792 20 0 CBADLP C[C@@H](NC(=O)C[NH+]1CCCC1)C1C[NH+](CC(=O)N(C)C)C1 ZINC001403341180 902672153 /nfs/dbraw/zinc/67/21/53/902672153.db2.gz JTRDCSLKFWFORR-GFCCVEGCSA-N 2 2 296.415 -0.393 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)NC[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001403383423 902681131 /nfs/dbraw/zinc/68/11/31/902681131.db2.gz RVKIROSOXJRHDT-XYYAHUGASA-N 2 2 278.356 -0.371 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)NC[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001403383423 902681140 /nfs/dbraw/zinc/68/11/40/902681140.db2.gz RVKIROSOXJRHDT-XYYAHUGASA-N 2 2 278.356 -0.371 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)NC[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001403383423 902681148 /nfs/dbraw/zinc/68/11/48/902681148.db2.gz RVKIROSOXJRHDT-XYYAHUGASA-N 2 2 278.356 -0.371 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)NC[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001403383423 902681157 /nfs/dbraw/zinc/68/11/57/902681157.db2.gz RVKIROSOXJRHDT-XYYAHUGASA-N 2 2 278.356 -0.371 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC001403428154 902688755 /nfs/dbraw/zinc/68/87/55/902688755.db2.gz VOOZLVCJGBQTET-XYYAHUGASA-N 2 2 278.356 -0.441 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC001403428154 902688764 /nfs/dbraw/zinc/68/87/64/902688764.db2.gz VOOZLVCJGBQTET-XYYAHUGASA-N 2 2 278.356 -0.441 20 0 CBADLP C[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)C1)C(N)=O ZINC001403446338 902691574 /nfs/dbraw/zinc/69/15/74/902691574.db2.gz NIHLOFMNNZDYKP-SRVKXCTJSA-N 2 2 293.371 -0.369 20 0 CBADLP C[C@H](CN(C)C(=O)c1cccc2[nH+]ccn21)[NH2+]CC(N)=O ZINC001403579863 902738294 /nfs/dbraw/zinc/73/82/94/902738294.db2.gz GAYGOFXRAUHELW-SNVBAGLBSA-N 2 2 289.339 -0.130 20 0 CBADLP CC[C@H](C(=O)NCC[N@H+](C)CC(=O)NC(C)C)[NH+](C)C ZINC001403588687 902742919 /nfs/dbraw/zinc/74/29/19/902742919.db2.gz MCDLOANSDZYBEU-GFCCVEGCSA-N 2 2 286.420 -0.101 20 0 CBADLP CC[C@H](C(=O)NCC[N@@H+](C)CC(=O)NC(C)C)[NH+](C)C ZINC001403588687 902742930 /nfs/dbraw/zinc/74/29/30/902742930.db2.gz MCDLOANSDZYBEU-GFCCVEGCSA-N 2 2 286.420 -0.101 20 0 CBADLP C[C@@H](CN(C)C(=O)Cc1[nH]cc[nH+]1)[NH2+][C@H]1CCN(C)C1=O ZINC001403616822 902754225 /nfs/dbraw/zinc/75/42/25/902754225.db2.gz UHGFJURFHVZRFP-QWRGUYRKSA-N 2 2 293.371 -0.381 20 0 CBADLP O=C(NC[C@H](CO)[NH2+]CCF)[C@H]1CCn2c[nH+]cc2C1 ZINC001403657816 902780637 /nfs/dbraw/zinc/78/06/37/902780637.db2.gz CHKWUXWBWSVFIU-WDEREUQCSA-N 2 2 284.335 -0.518 20 0 CBADLP CCC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001403673201 902791869 /nfs/dbraw/zinc/79/18/69/902791869.db2.gz NJVLHBWBLNHJSG-NWDGAFQWSA-N 2 2 280.372 -0.078 20 0 CBADLP C[C@H]1CC[N@H+](CC(=O)NCC[NH+](C)CC(=O)N(C)C)C1 ZINC001403679601 902797128 /nfs/dbraw/zinc/79/71/28/902797128.db2.gz FAVUYQHYWPGYLU-LBPRGKRZSA-N 2 2 284.404 -0.536 20 0 CBADLP C[C@H]1CC[N@@H+](CC(=O)NCC[NH+](C)CC(=O)N(C)C)C1 ZINC001403679601 902797134 /nfs/dbraw/zinc/79/71/34/902797134.db2.gz FAVUYQHYWPGYLU-LBPRGKRZSA-N 2 2 284.404 -0.536 20 0 CBADLP C[C@H]1CC[NH+](CC(=O)NCC[N@H+](C)CC(=O)N(C)C)C1 ZINC001403679601 902797145 /nfs/dbraw/zinc/79/71/45/902797145.db2.gz FAVUYQHYWPGYLU-LBPRGKRZSA-N 2 2 284.404 -0.536 20 0 CBADLP C[C@H]1CC[NH+](CC(=O)NCC[N@@H+](C)CC(=O)N(C)C)C1 ZINC001403679601 902797154 /nfs/dbraw/zinc/79/71/54/902797154.db2.gz FAVUYQHYWPGYLU-LBPRGKRZSA-N 2 2 284.404 -0.536 20 0 CBADLP CNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)Cc2c[nH+]cn2C)C1 ZINC001403764021 902842160 /nfs/dbraw/zinc/84/21/60/902842160.db2.gz WTNLXBLVMHDJAO-MNOVXSKESA-N 2 2 293.371 -0.712 20 0 CBADLP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH+](C)[C@H](C)C(N)=O ZINC001403793837 902851306 /nfs/dbraw/zinc/85/13/06/902851306.db2.gz TXLPPMWLHUKRGC-NEPJUHHUSA-N 2 2 284.404 -0.217 20 0 CBADLP CC[N@H+]1CCCC[C@H]1C(=O)NCC[NH+](C)[C@H](C)C(N)=O ZINC001403793837 902851320 /nfs/dbraw/zinc/85/13/20/902851320.db2.gz TXLPPMWLHUKRGC-NEPJUHHUSA-N 2 2 284.404 -0.217 20 0 CBADLP CC[NH+]1CCCC[C@H]1C(=O)NCC[N@H+](C)[C@H](C)C(N)=O ZINC001403793837 902851330 /nfs/dbraw/zinc/85/13/30/902851330.db2.gz TXLPPMWLHUKRGC-NEPJUHHUSA-N 2 2 284.404 -0.217 20 0 CBADLP CC[NH+]1CCCC[C@H]1C(=O)NCC[N@@H+](C)[C@H](C)C(N)=O ZINC001403793837 902851340 /nfs/dbraw/zinc/85/13/40/902851340.db2.gz TXLPPMWLHUKRGC-NEPJUHHUSA-N 2 2 284.404 -0.217 20 0 CBADLP C[C@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CCC[N@@H+]1CC(N)=O ZINC001403819752 902859802 /nfs/dbraw/zinc/85/98/02/902859802.db2.gz MYNIQJVODGXPIY-RYUDHWBXSA-N 2 2 296.415 -0.075 20 0 CBADLP C[C@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CCC[N@H+]1CC(N)=O ZINC001403819752 902859821 /nfs/dbraw/zinc/85/98/21/902859821.db2.gz MYNIQJVODGXPIY-RYUDHWBXSA-N 2 2 296.415 -0.075 20 0 CBADLP CC[N@H+](CCNC(=O)C[NH+]1CCC(C)CC1)CC(N)=O ZINC001403923116 902908476 /nfs/dbraw/zinc/90/84/76/902908476.db2.gz HTLLWARNCZEPCU-UHFFFAOYSA-N 2 2 284.404 -0.358 20 0 CBADLP CC[N@@H+](CCNC(=O)C[NH+]1CCC(C)CC1)CC(N)=O ZINC001403923116 902908487 /nfs/dbraw/zinc/90/84/87/902908487.db2.gz HTLLWARNCZEPCU-UHFFFAOYSA-N 2 2 284.404 -0.358 20 0 CBADLP CC(C)N(CC[N@H+](C)CC(N)=O)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001403934959 902911000 /nfs/dbraw/zinc/91/10/00/902911000.db2.gz MEHALPQNQAIKIN-ZDUSSCGKSA-N 2 2 298.431 -0.018 20 0 CBADLP CC(C)N(CC[N@@H+](C)CC(N)=O)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001403934959 902911019 /nfs/dbraw/zinc/91/10/19/902911019.db2.gz MEHALPQNQAIKIN-ZDUSSCGKSA-N 2 2 298.431 -0.018 20 0 CBADLP CC(C)N(CC[NH+](C)CC(N)=O)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001403934959 902911036 /nfs/dbraw/zinc/91/10/36/902911036.db2.gz MEHALPQNQAIKIN-ZDUSSCGKSA-N 2 2 298.431 -0.018 20 0 CBADLP CC(C)N(CC[NH+](C)CC(N)=O)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001403934959 902911059 /nfs/dbraw/zinc/91/10/59/902911059.db2.gz MEHALPQNQAIKIN-ZDUSSCGKSA-N 2 2 298.431 -0.018 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001404021885 902926024 /nfs/dbraw/zinc/92/60/24/902926024.db2.gz KXAUEZDJPYJGCN-OLZOCXBDSA-N 2 2 296.415 -0.073 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001404021885 902926032 /nfs/dbraw/zinc/92/60/32/902926032.db2.gz KXAUEZDJPYJGCN-OLZOCXBDSA-N 2 2 296.415 -0.073 20 0 CBADLP CC1CC[NH+](CC(=O)NCC[N@H+](CC(N)=O)C2CC2)CC1 ZINC001404264455 902959260 /nfs/dbraw/zinc/95/92/60/902959260.db2.gz ZQZWHJLPZVCWLP-UHFFFAOYSA-N 2 2 296.415 -0.216 20 0 CBADLP CC1CC[NH+](CC(=O)NCC[N@@H+](CC(N)=O)C2CC2)CC1 ZINC001404264455 902959268 /nfs/dbraw/zinc/95/92/68/902959268.db2.gz ZQZWHJLPZVCWLP-UHFFFAOYSA-N 2 2 296.415 -0.216 20 0 CBADLP CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001404674715 903013904 /nfs/dbraw/zinc/01/39/04/903013904.db2.gz XNTWIYDVQAORER-GFCCVEGCSA-N 2 2 296.415 -0.203 20 0 CBADLP COC[C@H](O)C[NH+]1CC(NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001404804848 903030635 /nfs/dbraw/zinc/03/06/35/903030635.db2.gz RXYUTKRVPAQYDX-UONOGXRCSA-N 2 2 299.415 -0.332 20 0 CBADLP COC[C@H](O)C[NH+]1CC(NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001404804848 903030651 /nfs/dbraw/zinc/03/06/51/903030651.db2.gz RXYUTKRVPAQYDX-UONOGXRCSA-N 2 2 299.415 -0.332 20 0 CBADLP COC[C@H](O)C[NH+]1CC(NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001404804858 903032092 /nfs/dbraw/zinc/03/20/92/903032092.db2.gz RXYUTKRVPAQYDX-ZIAGYGMSSA-N 2 2 299.415 -0.332 20 0 CBADLP COC[C@H](O)C[NH+]1CC(NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001404804858 903032109 /nfs/dbraw/zinc/03/21/09/903032109.db2.gz RXYUTKRVPAQYDX-ZIAGYGMSSA-N 2 2 299.415 -0.332 20 0 CBADLP CCNC(=O)C[NH+]1CC(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001404928453 903054214 /nfs/dbraw/zinc/05/42/14/903054214.db2.gz DALWGEHAGPHZNA-UHFFFAOYSA-N 2 2 293.371 -0.624 20 0 CBADLP CC[N@H+](C)CCC(=O)NCC1C[NH+](CC(=O)N2CCC2)C1 ZINC001404932536 903054504 /nfs/dbraw/zinc/05/45/04/903054504.db2.gz LPDDAFTVKAWEOT-UHFFFAOYSA-N 2 2 296.415 -0.392 20 0 CBADLP CC[N@@H+](C)CCC(=O)NCC1C[NH+](CC(=O)N2CCC2)C1 ZINC001404932536 903054516 /nfs/dbraw/zinc/05/45/16/903054516.db2.gz LPDDAFTVKAWEOT-UHFFFAOYSA-N 2 2 296.415 -0.392 20 0 CBADLP CC[C@H](CNC(=O)Cc1[nH]c[nH+]c1C)[NH2+][C@H]1CCNC1=O ZINC001405353113 903155027 /nfs/dbraw/zinc/15/50/27/903155027.db2.gz PNQHRAIEXRMJFV-MNOVXSKESA-N 2 2 293.371 -0.366 20 0 CBADLP CCNC(=O)C[NH2+][C@H](CC)CNC(=O)Cn1cc[nH+]c1 ZINC001405375137 903157873 /nfs/dbraw/zinc/15/78/73/903157873.db2.gz VBDLLJBWLDYVIB-LLVKDONJSA-N 2 2 281.360 -0.496 20 0 CBADLP CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)Cn1cc[nH+]c1 ZINC001405375146 903158556 /nfs/dbraw/zinc/15/85/56/903158556.db2.gz VBDLLJBWLDYVIB-NSHDSACASA-N 2 2 281.360 -0.496 20 0 CBADLP CNC(=O)C[NH2+]C[C@@](C)(NC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001405493253 903172171 /nfs/dbraw/zinc/17/21/71/903172171.db2.gz FYHMFGKFBBVSFI-CQSZACIVSA-N 2 2 293.371 -0.427 20 0 CBADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C[NH2+][C@H]1CCNC1=O ZINC001405701094 903204521 /nfs/dbraw/zinc/20/45/21/903204521.db2.gz ZIRKCOCRRGRDOS-KOLCDFICSA-N 2 2 279.344 -0.817 20 0 CBADLP CC[C@H]([NH2+]C[C@@H](C)N(C)C(=O)Cc1c[nH+]cn1C)C(N)=O ZINC001405875456 903242552 /nfs/dbraw/zinc/24/25/52/903242552.db2.gz UPALCVUVWUQQIA-PWSUYJOCSA-N 2 2 295.387 -0.337 20 0 CBADLP C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)Cn1cc[nH+]c1)C(=O)N(C)C ZINC001405925913 903244221 /nfs/dbraw/zinc/24/42/21/903244221.db2.gz ZWZCLMYLTRXJGU-NWDGAFQWSA-N 2 2 295.387 -0.204 20 0 CBADLP CC(C)[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+]CC(N)=O ZINC001406043568 903256042 /nfs/dbraw/zinc/25/60/42/903256042.db2.gz QWWQZFOHRXWMGP-LLVKDONJSA-N 2 2 281.360 -0.442 20 0 CBADLP CC(C)[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH2+]CC(N)=O ZINC001406043568 903256050 /nfs/dbraw/zinc/25/60/50/903256050.db2.gz QWWQZFOHRXWMGP-LLVKDONJSA-N 2 2 281.360 -0.442 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]CC[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001406303290 903347826 /nfs/dbraw/zinc/34/78/26/903347826.db2.gz GAMYDKJOPXNWES-ZJUUUORDSA-N 2 2 281.360 -0.429 20 0 CBADLP CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001406412061 903393930 /nfs/dbraw/zinc/39/39/30/903393930.db2.gz RXPVUHJFXIGZET-SNVBAGLBSA-N 2 2 281.360 -0.807 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)C[NH2+]CC(=O)N(C)C ZINC001406412668 903394134 /nfs/dbraw/zinc/39/41/34/903394134.db2.gz GYZNTGOQAXGLBO-SECBINFHSA-N 2 2 281.360 -0.557 20 0 CBADLP C[C@H](C[NH2+][C@H](C)C(N)=O)NC(=O)CCc1c[nH+]cn1C ZINC001406421191 903398865 /nfs/dbraw/zinc/39/88/65/903398865.db2.gz IOCQYBLEYPPVMF-NXEZZACHSA-N 2 2 281.360 -0.679 20 0 CBADLP CNC(=O)C[NH2+]C[C@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001406512979 903421847 /nfs/dbraw/zinc/42/18/47/903421847.db2.gz RMFRYIANSKWHPM-JTQLQIEISA-N 2 2 281.360 -0.807 20 0 CBADLP CC(C)N(C)C(=O)C[NH2+]C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001406536955 903427517 /nfs/dbraw/zinc/42/75/17/903427517.db2.gz OUYRRJQVIHWCJL-NSHDSACASA-N 2 2 295.387 -0.087 20 0 CBADLP C[C@@H](C[NH2+][C@H]1CCN(C)C1=O)NC(=O)Cc1c[nH+]cn1C ZINC001406543850 903431008 /nfs/dbraw/zinc/43/10/08/903431008.db2.gz LEBKTAPNJHGRAT-JQWIXIFHSA-N 2 2 293.371 -0.712 20 0 CBADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH+](C)CC(N)=O ZINC001406610319 903445961 /nfs/dbraw/zinc/44/59/61/903445961.db2.gz OAARMXLFIJOCJO-VXGBXAGGSA-N 2 2 284.404 -0.217 20 0 CBADLP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH+](C)CC(N)=O ZINC001406610319 903445968 /nfs/dbraw/zinc/44/59/68/903445968.db2.gz OAARMXLFIJOCJO-VXGBXAGGSA-N 2 2 284.404 -0.217 20 0 CBADLP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H](C)C[N@H+](C)CC(N)=O ZINC001406610319 903445975 /nfs/dbraw/zinc/44/59/75/903445975.db2.gz OAARMXLFIJOCJO-VXGBXAGGSA-N 2 2 284.404 -0.217 20 0 CBADLP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H](C)C[N@@H+](C)CC(N)=O ZINC001406610319 903445979 /nfs/dbraw/zinc/44/59/79/903445979.db2.gz OAARMXLFIJOCJO-VXGBXAGGSA-N 2 2 284.404 -0.217 20 0 CBADLP C[C@@H](C[N@H+](C)[C@@H]1CCNC1=O)NC(=O)CCn1cc[nH+]c1 ZINC001406644477 903456201 /nfs/dbraw/zinc/45/62/01/903456201.db2.gz LOJYAMWBTIPZPY-NWDGAFQWSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@@H](C[N@@H+](C)[C@@H]1CCNC1=O)NC(=O)CCn1cc[nH+]c1 ZINC001406644477 903456210 /nfs/dbraw/zinc/45/62/10/903456210.db2.gz LOJYAMWBTIPZPY-NWDGAFQWSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@@H](CC(=O)N[C@H](C[NH2+]CC(N)=O)C1CC1)n1cc[nH+]c1 ZINC001406785239 903479822 /nfs/dbraw/zinc/47/98/22/903479822.db2.gz ROEMLAZCGFUZAG-CMPLNLGQSA-N 2 2 293.371 -0.196 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NC[C@H]1CC[NH+]1[C@@H]1CCN(C)C1=O ZINC001406895630 903501519 /nfs/dbraw/zinc/50/15/19/903501519.db2.gz FEWBBBOXNNRLKV-CHWSQXEVSA-N 2 2 296.415 -0.252 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NC[C@H]1CC[NH+]1[C@@H]1CCN(C)C1=O ZINC001406895630 903501521 /nfs/dbraw/zinc/50/15/21/903501521.db2.gz FEWBBBOXNNRLKV-CHWSQXEVSA-N 2 2 296.415 -0.252 20 0 CBADLP CC(C)[NH+](C)CC(=O)NC[C@H]1CC[N@@H+]1[C@@H]1CCN(C)C1=O ZINC001406895630 903501527 /nfs/dbraw/zinc/50/15/27/903501527.db2.gz FEWBBBOXNNRLKV-CHWSQXEVSA-N 2 2 296.415 -0.252 20 0 CBADLP CC(C)[NH+](C)CC(=O)NC[C@H]1CC[N@H+]1[C@@H]1CCN(C)C1=O ZINC001406895630 903501533 /nfs/dbraw/zinc/50/15/33/903501533.db2.gz FEWBBBOXNNRLKV-CHWSQXEVSA-N 2 2 296.415 -0.252 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CC[NH+]1[C@H]1CCN(C)C1=O ZINC001406895636 903503649 /nfs/dbraw/zinc/50/36/49/903503649.db2.gz FEWBBBOXNNRLKV-STQMWFEESA-N 2 2 296.415 -0.252 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CC[NH+]1[C@H]1CCN(C)C1=O ZINC001406895636 903503657 /nfs/dbraw/zinc/50/36/57/903503657.db2.gz FEWBBBOXNNRLKV-STQMWFEESA-N 2 2 296.415 -0.252 20 0 CBADLP CC(C)[NH+](C)CC(=O)NC[C@@H]1CC[N@@H+]1[C@H]1CCN(C)C1=O ZINC001406895636 903503664 /nfs/dbraw/zinc/50/36/64/903503664.db2.gz FEWBBBOXNNRLKV-STQMWFEESA-N 2 2 296.415 -0.252 20 0 CBADLP CC(C)[NH+](C)CC(=O)NC[C@@H]1CC[N@H+]1[C@H]1CCN(C)C1=O ZINC001406895636 903503670 /nfs/dbraw/zinc/50/36/70/903503670.db2.gz FEWBBBOXNNRLKV-STQMWFEESA-N 2 2 296.415 -0.252 20 0 CBADLP C[C@@H]([NH2+]C1(CNC(=O)Cc2c[nH]c[nH+]2)CC1)C(=O)N(C)C ZINC001406982278 903520907 /nfs/dbraw/zinc/52/09/07/903520907.db2.gz ZGBXQCYFFCDZLZ-SNVBAGLBSA-N 2 2 293.371 -0.333 20 0 CBADLP CN(C(=O)CC[NH+](C)C)C1C[NH+](CCN2CCNC2=O)C1 ZINC001407054714 903533643 /nfs/dbraw/zinc/53/36/43/903533643.db2.gz LCWFTPAMFVOKQN-UHFFFAOYSA-N 2 2 297.403 -0.894 20 0 CBADLP NC(=O)C[NH2+]C[C@@H](NC(=O)Cn1cc[nH+]c1)C1CCCC1 ZINC001407177008 903553046 /nfs/dbraw/zinc/55/30/46/903553046.db2.gz UTMDPHUCAHBFDP-GFCCVEGCSA-N 2 2 293.371 -0.367 20 0 CBADLP CC[C@H](C(=O)N[C@@]1(C)CC[N@H+](CC(N)=O)C1)[NH+](C)C ZINC001407208838 903557237 /nfs/dbraw/zinc/55/72/37/903557237.db2.gz OXSYKZRNJJPQTQ-MFKMUULPSA-N 2 2 270.377 -0.608 20 0 CBADLP CC[C@H](C(=O)N[C@@]1(C)CC[N@@H+](CC(N)=O)C1)[NH+](C)C ZINC001407208838 903557246 /nfs/dbraw/zinc/55/72/46/903557246.db2.gz OXSYKZRNJJPQTQ-MFKMUULPSA-N 2 2 270.377 -0.608 20 0 CBADLP CC[C@H](C(=O)N[C@]1(C)CC[N@H+](CC(N)=O)C1)[NH+](C)C ZINC001407208844 903557913 /nfs/dbraw/zinc/55/79/13/903557913.db2.gz OXSYKZRNJJPQTQ-ZWNOBZJWSA-N 2 2 270.377 -0.608 20 0 CBADLP CC[C@H](C(=O)N[C@]1(C)CC[N@@H+](CC(N)=O)C1)[NH+](C)C ZINC001407208844 903557921 /nfs/dbraw/zinc/55/79/21/903557921.db2.gz OXSYKZRNJJPQTQ-ZWNOBZJWSA-N 2 2 270.377 -0.608 20 0 CBADLP CC[N@H+](C)CCC(=O)NC[C@@H]1CCC2(C[NH+](CCO)C2)O1 ZINC001407984194 903687255 /nfs/dbraw/zinc/68/72/55/903687255.db2.gz UFLVRRIEKGPCLY-ZDUSSCGKSA-N 2 2 299.415 -0.330 20 0 CBADLP CC[N@@H+](C)CCC(=O)NC[C@@H]1CCC2(C[NH+](CCO)C2)O1 ZINC001407984194 903687269 /nfs/dbraw/zinc/68/72/69/903687269.db2.gz UFLVRRIEKGPCLY-ZDUSSCGKSA-N 2 2 299.415 -0.330 20 0 CBADLP CNC(=O)C[NH2+][C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001408085831 903706551 /nfs/dbraw/zinc/70/65/51/903706551.db2.gz GBTQVTJIKXNLHD-NEPJUHHUSA-N 2 2 293.371 -0.544 20 0 CBADLP C[NH+](C)CCC(=O)NC1CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001409104040 903851027 /nfs/dbraw/zinc/85/10/27/903851027.db2.gz YMFBUYNJQQZRDJ-UHFFFAOYSA-N 2 2 279.344 -0.769 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+](C)[C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001409648569 903947513 /nfs/dbraw/zinc/94/75/13/903947513.db2.gz QMQRUIHAUKHPQJ-PWSUYJOCSA-N 2 2 295.387 -0.337 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+](C)[C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001409648569 903947525 /nfs/dbraw/zinc/94/75/25/903947525.db2.gz QMQRUIHAUKHPQJ-PWSUYJOCSA-N 2 2 295.387 -0.337 20 0 CBADLP C[C@@H](CNC(=O)CC[NH+](C)C)CNC(=O)Cn1cc[nH+]c1 ZINC001409722459 903968219 /nfs/dbraw/zinc/96/82/19/903968219.db2.gz VSVHFMVRPXCMMG-LBPRGKRZSA-N 2 2 295.387 -0.297 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@H](C[NH2+][C@H](C)C(N)=O)C1 ZINC001410231955 904050276 /nfs/dbraw/zinc/05/02/76/904050276.db2.gz WSXZZKDEEIYOJZ-GMTAPVOTSA-N 2 2 293.371 -0.381 20 0 CBADLP C[C@H](CN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1)[NH2+]CC(N)=O ZINC001410377036 904085935 /nfs/dbraw/zinc/08/59/35/904085935.db2.gz JAJNJTJZWSHIES-GHMZBOCLSA-N 2 2 293.371 -0.633 20 0 CBADLP C[C@@H]([NH2+][C@@H](C)CN(C)C(=O)CCCn1cc[nH+]c1)C(N)=O ZINC001410515510 904113220 /nfs/dbraw/zinc/11/32/20/904113220.db2.gz COJXKQFADIARDA-NWDGAFQWSA-N 2 2 295.387 -0.026 20 0 CBADLP CNC(=O)C[NH2+][C@H](C)CN(C)C(=O)CCCn1cc[nH+]c1 ZINC001410531652 904116534 /nfs/dbraw/zinc/11/65/34/904116534.db2.gz KUIVBQLDTTYZDD-GFCCVEGCSA-N 2 2 295.387 -0.154 20 0 CBADLP O=C(NC[C@@H](CO)[NH2+]CC1CC1)[C@H]1CCc2c[nH+]cn2C1 ZINC001410674903 904155941 /nfs/dbraw/zinc/15/59/41/904155941.db2.gz VNQGWWDBRGZGTJ-STQMWFEESA-N 2 2 292.383 -0.078 20 0 CBADLP C[C@@H](O)C[NH2+]C[C@H](O)CN(C)C(=O)CCn1cc[nH+]c1 ZINC001411068764 904231487 /nfs/dbraw/zinc/23/14/87/904231487.db2.gz KTCCENXFEPEIND-NEPJUHHUSA-N 2 2 284.360 -0.937 20 0 CBADLP COCC[N@H+](C)C[C@H](O)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001411183088 904255570 /nfs/dbraw/zinc/25/55/70/904255570.db2.gz VRDMOHBPJSAOOH-ZDUSSCGKSA-N 2 2 298.387 -0.640 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001411183088 904255588 /nfs/dbraw/zinc/25/55/88/904255588.db2.gz VRDMOHBPJSAOOH-ZDUSSCGKSA-N 2 2 298.387 -0.640 20 0 CBADLP CN(C[C@H](O)C[N@H+](C)CCCO)C(=O)Cn1cc[nH+]c1 ZINC001411192412 904263651 /nfs/dbraw/zinc/26/36/51/904263651.db2.gz ZIXSKGKDGRBKOD-GFCCVEGCSA-N 2 2 284.360 -0.983 20 0 CBADLP CN(C[C@H](O)C[N@@H+](C)CCCO)C(=O)Cn1cc[nH+]c1 ZINC001411192412 904263664 /nfs/dbraw/zinc/26/36/64/904263664.db2.gz ZIXSKGKDGRBKOD-GFCCVEGCSA-N 2 2 284.360 -0.983 20 0 CBADLP CC(C)C[C@H]([NH2+]Cc1cn(C)nn1)C(=O)NCC[NH+](C)C ZINC001461414126 914858051 /nfs/dbraw/zinc/85/80/51/914858051.db2.gz WCSFDHHEXUZOJL-ZDUSSCGKSA-N 2 2 296.419 -0.003 20 0 CBADLP NC(=O)Cn1cc(C[NH2+]C[C@H]2C[NH+]3CCC2CC3)nn1 ZINC001413265058 904987164 /nfs/dbraw/zinc/98/71/64/904987164.db2.gz YYDVMHZACWEFDJ-NSHDSACASA-N 2 2 278.360 -0.805 20 0 CBADLP CC[N@H+]1CCN(C(=O)NC[C@@H]2C[NH+](C)CCN2C)[C@H](C)C1 ZINC001414557375 905449623 /nfs/dbraw/zinc/44/96/23/905449623.db2.gz NXGJJLJMYLAQMQ-ZIAGYGMSSA-N 2 2 297.447 -0.032 20 0 CBADLP CC[NH+]1CCN(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)[C@H](C)C1 ZINC001414557375 905449625 /nfs/dbraw/zinc/44/96/25/905449625.db2.gz NXGJJLJMYLAQMQ-ZIAGYGMSSA-N 2 2 297.447 -0.032 20 0 CBADLP CC[NH+]1CCN(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)[C@H](C)C1 ZINC001414557375 905449628 /nfs/dbraw/zinc/44/96/28/905449628.db2.gz NXGJJLJMYLAQMQ-ZIAGYGMSSA-N 2 2 297.447 -0.032 20 0 CBADLP CC[N@H+]1CCN(C(=O)NC[C@@H]2C[NH+](C)CCN2C)[C@@H](C)C1 ZINC001414557369 905451107 /nfs/dbraw/zinc/45/11/07/905451107.db2.gz NXGJJLJMYLAQMQ-UONOGXRCSA-N 2 2 297.447 -0.032 20 0 CBADLP CC[NH+]1CCN(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)[C@@H](C)C1 ZINC001414557369 905451119 /nfs/dbraw/zinc/45/11/19/905451119.db2.gz NXGJJLJMYLAQMQ-UONOGXRCSA-N 2 2 297.447 -0.032 20 0 CBADLP CC[NH+]1CCN(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)[C@@H](C)C1 ZINC001414557369 905451130 /nfs/dbraw/zinc/45/11/30/905451130.db2.gz NXGJJLJMYLAQMQ-UONOGXRCSA-N 2 2 297.447 -0.032 20 0 CBADLP C[C@H](C(=O)NC1CC[NH+]([C@@H]2CCOC2=O)CC1)[NH+](C)C ZINC001417688197 905988733 /nfs/dbraw/zinc/98/87/33/905988733.db2.gz LZHWNTFICCQQBS-ZYHUDNBSSA-N 2 2 283.372 -0.167 20 0 CBADLP CCN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001417949646 906119395 /nfs/dbraw/zinc/11/93/95/906119395.db2.gz QJQQVRBEMXDWFL-CYBMUJFWSA-N 2 2 296.415 -0.249 20 0 CBADLP CCN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001417949646 906119403 /nfs/dbraw/zinc/11/94/03/906119403.db2.gz QJQQVRBEMXDWFL-CYBMUJFWSA-N 2 2 296.415 -0.249 20 0 CBADLP C[N@@H+](CC(N)=O)C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001418021365 906138533 /nfs/dbraw/zinc/13/85/33/906138533.db2.gz LIYXUZNENLCVLF-LBPRGKRZSA-N 2 2 293.371 -0.461 20 0 CBADLP C[N@H+](CC(N)=O)C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001418021365 906138544 /nfs/dbraw/zinc/13/85/44/906138544.db2.gz LIYXUZNENLCVLF-LBPRGKRZSA-N 2 2 293.371 -0.461 20 0 CBADLP C[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001418065950 906155449 /nfs/dbraw/zinc/15/54/49/906155449.db2.gz DTTUVYGZYCOBHK-SRVKXCTJSA-N 2 2 280.372 -0.030 20 0 CBADLP C[C@H](CNC(=O)c1cccc2[nH+]ccn21)[NH2+][C@H](C)C(N)=O ZINC001418249149 906236185 /nfs/dbraw/zinc/23/61/85/906236185.db2.gz PFGRERYKTGHADA-NXEZZACHSA-N 2 2 289.339 -0.084 20 0 CBADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]Cc1cnn(C)c1 ZINC001418288342 906257712 /nfs/dbraw/zinc/25/77/12/906257712.db2.gz ZWGLUJFOUAAVEH-JTQLQIEISA-N 2 2 276.344 -0.020 20 0 CBADLP CC[C@@H]([NH2+][C@@H](C)CCNC(=O)Cc1c[nH]c[nH+]1)C(N)=O ZINC001418420800 906313985 /nfs/dbraw/zinc/31/39/85/906313985.db2.gz RSVJZTOUHQFTDK-GXSJLCMTSA-N 2 2 281.360 -0.300 20 0 CBADLP C[C@H](CCNC(=O)Cc1c[nH]c[nH+]1)[NH2+]Cc1cnnn1C ZINC001418419039 906316081 /nfs/dbraw/zinc/31/60/81/906316081.db2.gz MZMWJPWNTKYADY-SNVBAGLBSA-N 2 2 291.359 -0.235 20 0 CBADLP CCN(C)C(=O)C[NH2+][C@H](C)CCNC(=O)Cn1cc[nH+]c1 ZINC001418436415 906324219 /nfs/dbraw/zinc/32/42/19/906324219.db2.gz KAQZXFDFASFOMD-GFCCVEGCSA-N 2 2 295.387 -0.154 20 0 CBADLP C[C@@H](C(N)=O)[N@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001418491183 906364592 /nfs/dbraw/zinc/36/45/92/906364592.db2.gz PWAXEJYYTASKNP-QWRGUYRKSA-N 2 2 270.377 -0.608 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001418491183 906364605 /nfs/dbraw/zinc/36/46/05/906364605.db2.gz PWAXEJYYTASKNP-QWRGUYRKSA-N 2 2 270.377 -0.608 20 0 CBADLP C[C@@H](C(N)=O)[NH+](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001418491183 906364620 /nfs/dbraw/zinc/36/46/20/906364620.db2.gz PWAXEJYYTASKNP-QWRGUYRKSA-N 2 2 270.377 -0.608 20 0 CBADLP C[C@@H](C(N)=O)[NH+](C)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001418491183 906364630 /nfs/dbraw/zinc/36/46/30/906364630.db2.gz PWAXEJYYTASKNP-QWRGUYRKSA-N 2 2 270.377 -0.608 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001418635279 906433863 /nfs/dbraw/zinc/43/38/63/906433863.db2.gz AKSHOMRFOOTAKH-NWDGAFQWSA-N 2 2 293.371 -0.402 20 0 CBADLP CNC(=O)[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001418635279 906433871 /nfs/dbraw/zinc/43/38/71/906433871.db2.gz AKSHOMRFOOTAKH-NWDGAFQWSA-N 2 2 293.371 -0.402 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001418666065 906443587 /nfs/dbraw/zinc/44/35/87/906443587.db2.gz KGPXGQKBECCHLG-UTUOFQBUSA-N 2 2 293.371 -0.498 20 0 CBADLP C[C@@H](CC(=O)NC[C@@H]1CC[N@H+](CC(N)=O)C1)n1cc[nH+]c1 ZINC001418681624 906446316 /nfs/dbraw/zinc/44/63/16/906446316.db2.gz GSUOIASSRAQEPB-RYUDHWBXSA-N 2 2 293.371 -0.242 20 0 CBADLP C[C@@H](CC(=O)NC[C@@H]1CC[N@@H+](CC(N)=O)C1)n1cc[nH+]c1 ZINC001418681624 906446320 /nfs/dbraw/zinc/44/63/20/906446320.db2.gz GSUOIASSRAQEPB-RYUDHWBXSA-N 2 2 293.371 -0.242 20 0 CBADLP CN(C)C(=O)C[N@@H+]1CC[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001418680947 906447303 /nfs/dbraw/zinc/44/73/03/906447303.db2.gz GCFLYJHHTXJBKJ-NSHDSACASA-N 2 2 293.371 -0.522 20 0 CBADLP CN(C)C(=O)C[N@H+]1CC[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001418680947 906447313 /nfs/dbraw/zinc/44/73/13/906447313.db2.gz GCFLYJHHTXJBKJ-NSHDSACASA-N 2 2 293.371 -0.522 20 0 CBADLP C[C@@H]([NH2+]CCN(C)C(=O)Cc1c[nH+]c[nH]1)C(=O)N(C)C ZINC001418819597 906482984 /nfs/dbraw/zinc/48/29/84/906482984.db2.gz LVOURMGIODKDJA-SNVBAGLBSA-N 2 2 281.360 -0.523 20 0 CBADLP CNC(=O)C[N@H+](CCNC(=O)[C@H](C(C)C)[NH+](C)C)C1CC1 ZINC001418813286 906484927 /nfs/dbraw/zinc/48/49/27/906484927.db2.gz YGCMDRKZMWEEGQ-AWEZNQCLSA-N 2 2 298.431 -0.101 20 0 CBADLP CNC(=O)C[N@@H+](CCNC(=O)[C@H](C(C)C)[NH+](C)C)C1CC1 ZINC001418813286 906484941 /nfs/dbraw/zinc/48/49/41/906484941.db2.gz YGCMDRKZMWEEGQ-AWEZNQCLSA-N 2 2 298.431 -0.101 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[NH+]([C@@H](C)C(N)=O)C1 ZINC001418955561 906528528 /nfs/dbraw/zinc/52/85/28/906528528.db2.gz HNHSABRPJHWUDM-NWDGAFQWSA-N 2 2 284.404 -0.219 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCC[NH+]([C@@H](C)C(N)=O)C1 ZINC001418955561 906528536 /nfs/dbraw/zinc/52/85/36/906528536.db2.gz HNHSABRPJHWUDM-NWDGAFQWSA-N 2 2 284.404 -0.219 20 0 CBADLP CC(C)[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001418955561 906528544 /nfs/dbraw/zinc/52/85/44/906528544.db2.gz HNHSABRPJHWUDM-NWDGAFQWSA-N 2 2 284.404 -0.219 20 0 CBADLP CC(C)[NH+](C)CC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001418955561 906528551 /nfs/dbraw/zinc/52/85/51/906528551.db2.gz HNHSABRPJHWUDM-NWDGAFQWSA-N 2 2 284.404 -0.219 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[NH+]([C@H](C)C(N)=O)C1 ZINC001418955564 906528710 /nfs/dbraw/zinc/52/87/10/906528710.db2.gz HNHSABRPJHWUDM-VXGBXAGGSA-N 2 2 284.404 -0.219 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCC[NH+]([C@H](C)C(N)=O)C1 ZINC001418955564 906528725 /nfs/dbraw/zinc/52/87/25/906528725.db2.gz HNHSABRPJHWUDM-VXGBXAGGSA-N 2 2 284.404 -0.219 20 0 CBADLP CC(C)[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001418955564 906528739 /nfs/dbraw/zinc/52/87/39/906528739.db2.gz HNHSABRPJHWUDM-VXGBXAGGSA-N 2 2 284.404 -0.219 20 0 CBADLP CC(C)[NH+](C)CC(=O)N[C@@H]1CCC[N@H+]([C@H](C)C(N)=O)C1 ZINC001418955564 906528743 /nfs/dbraw/zinc/52/87/43/906528743.db2.gz HNHSABRPJHWUDM-VXGBXAGGSA-N 2 2 284.404 -0.219 20 0 CBADLP CC[C@H](C(=O)NCC1C[NH+]([C@@H](C)C(N)=O)C1)[NH+](C)C ZINC001419018878 906565451 /nfs/dbraw/zinc/56/54/51/906565451.db2.gz FLIUWPRJJHNOLB-GXSJLCMTSA-N 2 2 270.377 -0.752 20 0 CBADLP CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001419062245 906582467 /nfs/dbraw/zinc/58/24/67/906582467.db2.gz UAPFATADWHULLF-LBPRGKRZSA-N 2 2 296.415 -0.345 20 0 CBADLP CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001419062245 906582477 /nfs/dbraw/zinc/58/24/77/906582477.db2.gz UAPFATADWHULLF-LBPRGKRZSA-N 2 2 296.415 -0.345 20 0 CBADLP CC[C@H](C(=O)N(C)[C@@H]1CC[N@H+](CC(N)=O)C1)[NH+](C)C ZINC001419140005 906607945 /nfs/dbraw/zinc/60/79/45/906607945.db2.gz MIDFATIICBZEHC-GHMZBOCLSA-N 2 2 270.377 -0.655 20 0 CBADLP CC[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](CC(N)=O)C1)[NH+](C)C ZINC001419140005 906607950 /nfs/dbraw/zinc/60/79/50/906607950.db2.gz MIDFATIICBZEHC-GHMZBOCLSA-N 2 2 270.377 -0.655 20 0 CBADLP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+]([C@@H](C)C(N)=O)C1 ZINC001419178730 906629867 /nfs/dbraw/zinc/62/98/67/906629867.db2.gz JSTXGBUGRLAAGA-WDEREUQCSA-N 2 2 270.377 -0.608 20 0 CBADLP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+]([C@@H](C)C(N)=O)C1 ZINC001419178730 906629873 /nfs/dbraw/zinc/62/98/73/906629873.db2.gz JSTXGBUGRLAAGA-WDEREUQCSA-N 2 2 270.377 -0.608 20 0 CBADLP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001419178730 906629878 /nfs/dbraw/zinc/62/98/78/906629878.db2.gz JSTXGBUGRLAAGA-WDEREUQCSA-N 2 2 270.377 -0.608 20 0 CBADLP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001419178730 906629885 /nfs/dbraw/zinc/62/98/85/906629885.db2.gz JSTXGBUGRLAAGA-WDEREUQCSA-N 2 2 270.377 -0.608 20 0 CBADLP CC[C@@H](CNC(=O)CCc1[nH+]ccn1C)[NH2+]CC(N)=O ZINC001419214307 906640022 /nfs/dbraw/zinc/64/00/22/906640022.db2.gz ITFHUVPPSHMVRW-JTQLQIEISA-N 2 2 281.360 -0.678 20 0 CBADLP CC[C@@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+][C@@H](C)C(N)=O ZINC001419274499 906656636 /nfs/dbraw/zinc/65/66/36/906656636.db2.gz ZSCQDNKQRPCLEM-UWVGGRQHSA-N 2 2 281.360 -0.679 20 0 CBADLP CN(C)C(=O)C[NH2+][C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001419288461 906658865 /nfs/dbraw/zinc/65/88/65/906658865.db2.gz JATOEOPBMVIGCZ-LBPRGKRZSA-N 2 2 293.371 -0.475 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@H]([NH2+][C@H]1CCNC1=O)C1CC1 ZINC001419322835 906661604 /nfs/dbraw/zinc/66/16/04/906661604.db2.gz JUXOFWCJFPFGDB-RYUDHWBXSA-N 2 2 291.355 -0.744 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CCCO)CCO1 ZINC001419577132 906733206 /nfs/dbraw/zinc/73/32/06/906733206.db2.gz COMKWFPRQGTMAG-CYBMUJFWSA-N 2 2 287.404 -0.474 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](CCCO)CCO1 ZINC001419577132 906733212 /nfs/dbraw/zinc/73/32/12/906733212.db2.gz COMKWFPRQGTMAG-CYBMUJFWSA-N 2 2 287.404 -0.474 20 0 CBADLP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@H+](CCCO)CCO1 ZINC001419577132 906733222 /nfs/dbraw/zinc/73/32/22/906733222.db2.gz COMKWFPRQGTMAG-CYBMUJFWSA-N 2 2 287.404 -0.474 20 0 CBADLP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](CCCO)CCO1 ZINC001419577132 906733231 /nfs/dbraw/zinc/73/32/31/906733231.db2.gz COMKWFPRQGTMAG-CYBMUJFWSA-N 2 2 287.404 -0.474 20 0 CBADLP C[C@H](C[NH2+][C@H]1CCNC1=O)N(C)C(=O)CCn1cc[nH+]c1 ZINC001419683597 906763156 /nfs/dbraw/zinc/76/31/56/906763156.db2.gz FLBUNEBOHUDLHR-NEPJUHHUSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@@H](C[NH2+][C@H]1CCNC1=O)N(C)C(=O)CCn1cc[nH+]c1 ZINC001419683603 906764301 /nfs/dbraw/zinc/76/43/01/906764301.db2.gz FLBUNEBOHUDLHR-RYUDHWBXSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@H]([NH2+]CC(N)=O)[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001419831283 906829191 /nfs/dbraw/zinc/82/91/91/906829191.db2.gz NWVWNHKVAXZYGV-QWRGUYRKSA-N 2 2 293.371 -0.346 20 0 CBADLP CC(C)NC(=O)C[NH2+][C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001419846784 906830736 /nfs/dbraw/zinc/83/07/36/906830736.db2.gz GKRYFIJOARQYDH-SNVBAGLBSA-N 2 2 281.360 -0.429 20 0 CBADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@@H]1CCCNC1=O ZINC001419894425 906849587 /nfs/dbraw/zinc/84/95/87/906849587.db2.gz KIHLMAHYMHQNPO-VHSXEESVSA-N 2 2 279.344 -0.675 20 0 CBADLP Cc1nnc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CC[N@H+](C)C2)o1 ZINC001419915380 906853217 /nfs/dbraw/zinc/85/32/17/906853217.db2.gz AAVHLRRTDOFDOR-ONGXEEELSA-N 2 2 281.360 -0.076 20 0 CBADLP Cc1nnc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CC[N@@H+](C)C2)o1 ZINC001419915380 906853226 /nfs/dbraw/zinc/85/32/26/906853226.db2.gz AAVHLRRTDOFDOR-ONGXEEELSA-N 2 2 281.360 -0.076 20 0 CBADLP Cc1nnc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CC[N@H+](C)C2)o1 ZINC001419915219 906856042 /nfs/dbraw/zinc/85/60/42/906856042.db2.gz AAVHLRRTDOFDOR-MWLCHTKSSA-N 2 2 281.360 -0.076 20 0 CBADLP Cc1nnc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)C2)o1 ZINC001419915219 906856052 /nfs/dbraw/zinc/85/60/52/906856052.db2.gz AAVHLRRTDOFDOR-MWLCHTKSSA-N 2 2 281.360 -0.076 20 0 CBADLP CC[NH+](C)CCC(=O)N(C)CC[N@@H+](C)CC(=O)NC ZINC001420032957 906905249 /nfs/dbraw/zinc/90/52/49/906905249.db2.gz AJKPQQLXGUJTGG-UHFFFAOYSA-N 2 2 272.393 -0.536 20 0 CBADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+][C@@H]1CCN(C)C1=O ZINC001419954748 906875991 /nfs/dbraw/zinc/87/59/91/906875991.db2.gz HZLROHHJYHDXEG-WDEREUQCSA-N 2 2 279.344 -0.792 20 0 CBADLP CCN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001419969038 906881744 /nfs/dbraw/zinc/88/17/44/906881744.db2.gz HJIBPIRUFMLZKX-NSHDSACASA-N 2 2 293.371 -0.379 20 0 CBADLP CN(CC[N@H+](C)CC(N)=O)C(=O)[C@H]1CCCC[NH+]1C ZINC001419973686 906881851 /nfs/dbraw/zinc/88/18/51/906881851.db2.gz UNMMEZFVGVOFFL-LLVKDONJSA-N 2 2 270.377 -0.654 20 0 CBADLP CN(CC[N@@H+](C)CC(N)=O)C(=O)[C@H]1CCCC[NH+]1C ZINC001419973686 906881865 /nfs/dbraw/zinc/88/18/65/906881865.db2.gz UNMMEZFVGVOFFL-LLVKDONJSA-N 2 2 270.377 -0.654 20 0 CBADLP CN(CC[NH+](C)CC(N)=O)C(=O)[C@H]1CCCC[N@H+]1C ZINC001419973686 906881898 /nfs/dbraw/zinc/88/18/98/906881898.db2.gz UNMMEZFVGVOFFL-LLVKDONJSA-N 2 2 270.377 -0.654 20 0 CBADLP CC[N@H+](C)CCC(=O)N(C)CC[NH+](C)CC(=O)NC ZINC001420032957 906905207 /nfs/dbraw/zinc/90/52/07/906905207.db2.gz AJKPQQLXGUJTGG-UHFFFAOYSA-N 2 2 272.393 -0.536 20 0 CBADLP CC[N@@H+](C)CCC(=O)N(C)CC[NH+](C)CC(=O)NC ZINC001420032957 906905222 /nfs/dbraw/zinc/90/52/22/906905222.db2.gz AJKPQQLXGUJTGG-UHFFFAOYSA-N 2 2 272.393 -0.536 20 0 CBADLP CC[NH+](C)CCC(=O)N(C)CC[N@H+](C)CC(=O)NC ZINC001420032957 906905237 /nfs/dbraw/zinc/90/52/37/906905237.db2.gz AJKPQQLXGUJTGG-UHFFFAOYSA-N 2 2 272.393 -0.536 20 0 CBADLP O=C(CCn1cc[nH+]c1)NC[C@H](O)C[NH2+]C[C@@H]1CCOC1 ZINC001420166565 906981765 /nfs/dbraw/zinc/98/17/65/906981765.db2.gz VKTIDSBQNOGFMY-QWHCGFSZSA-N 2 2 296.371 -0.624 20 0 CBADLP C[C@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1cnnn1C ZINC001420172372 906983508 /nfs/dbraw/zinc/98/35/08/906983508.db2.gz SHHCEKPMDMTQEO-LLVKDONJSA-N 2 2 291.359 -0.304 20 0 CBADLP C[N@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)Cc1cccnc1 ZINC001420200064 907010098 /nfs/dbraw/zinc/01/00/98/907010098.db2.gz ZABHLVOQMIQMOD-CQSZACIVSA-N 2 2 292.383 -0.040 20 0 CBADLP C[N@@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)Cc1cccnc1 ZINC001420200064 907010119 /nfs/dbraw/zinc/01/01/19/907010119.db2.gz ZABHLVOQMIQMOD-CQSZACIVSA-N 2 2 292.383 -0.040 20 0 CBADLP C[NH+](CCNC(=O)[C@H]1C[N@H+](C)CCO1)Cc1cccnc1 ZINC001420200064 907010140 /nfs/dbraw/zinc/01/01/40/907010140.db2.gz ZABHLVOQMIQMOD-CQSZACIVSA-N 2 2 292.383 -0.040 20 0 CBADLP C[NH+](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)Cc1cccnc1 ZINC001420200064 907010161 /nfs/dbraw/zinc/01/01/61/907010161.db2.gz ZABHLVOQMIQMOD-CQSZACIVSA-N 2 2 292.383 -0.040 20 0 CBADLP C[C@H](CC[NH2+][C@H]1CCNC1=O)NC(=O)Cc1c[nH]c[nH+]1 ZINC001420223117 907030166 /nfs/dbraw/zinc/03/01/66/907030166.db2.gz ICBCAEQPJACRBF-KOLCDFICSA-N 2 2 279.344 -0.675 20 0 CBADLP C[C@@H](CC[NH2+][C@H]1CCNC1=O)NC(=O)Cc1c[nH+]cn1C ZINC001420238620 907035907 /nfs/dbraw/zinc/03/59/07/907035907.db2.gz QYOOIEUOSYYERV-JQWIXIFHSA-N 2 2 293.371 -0.665 20 0 CBADLP C[C@H](CC[NH2+][C@H]1CCN(C)C1=O)NC(=O)Cn1cc[nH+]c1 ZINC001420243179 907042940 /nfs/dbraw/zinc/04/29/40/907042940.db2.gz KUBWRLPBAUDKNS-NEPJUHHUSA-N 2 2 293.371 -0.402 20 0 CBADLP CCN(C)C(=O)C[N@H+](C)CCNC(=O)Cn1c[nH+]cc1C ZINC001420268048 907053199 /nfs/dbraw/zinc/05/31/99/907053199.db2.gz GSWPVBVNHVSGLT-UHFFFAOYSA-N 2 2 295.387 -0.282 20 0 CBADLP CCN(C)C(=O)C[N@@H+](C)CCNC(=O)Cn1c[nH+]cc1C ZINC001420268048 907053216 /nfs/dbraw/zinc/05/32/16/907053216.db2.gz GSWPVBVNHVSGLT-UHFFFAOYSA-N 2 2 295.387 -0.282 20 0 CBADLP CCN(C)C(=O)C[NH2+]C[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001420303346 907085790 /nfs/dbraw/zinc/08/57/90/907085790.db2.gz ZDJRNYQZQVWOOJ-LLVKDONJSA-N 2 2 295.387 -0.085 20 0 CBADLP CCN(C)C(=O)C[NH2+]C[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001420303346 907085810 /nfs/dbraw/zinc/08/58/10/907085810.db2.gz ZDJRNYQZQVWOOJ-LLVKDONJSA-N 2 2 295.387 -0.085 20 0 CBADLP CNC(=O)C[N@H+](C)CCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001420335363 907109095 /nfs/dbraw/zinc/10/90/95/907109095.db2.gz UKTQTNPDVVVXRJ-STQMWFEESA-N 2 2 298.431 -0.099 20 0 CBADLP CNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001420335363 907109098 /nfs/dbraw/zinc/10/90/98/907109098.db2.gz UKTQTNPDVVVXRJ-STQMWFEESA-N 2 2 298.431 -0.099 20 0 CBADLP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC[N@H+](C)CC(N)=O ZINC001420349783 907112715 /nfs/dbraw/zinc/11/27/15/907112715.db2.gz LEFXZWXAVBQBDP-QWRGUYRKSA-N 2 2 270.377 -0.608 20 0 CBADLP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC[N@@H+](C)CC(N)=O ZINC001420349783 907112727 /nfs/dbraw/zinc/11/27/27/907112727.db2.gz LEFXZWXAVBQBDP-QWRGUYRKSA-N 2 2 270.377 -0.608 20 0 CBADLP C[C@H](C[NH2+]CC(=O)N(C)C)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001420345551 907115311 /nfs/dbraw/zinc/11/53/11/907115311.db2.gz VYVVBEMCCAXMCQ-GHMZBOCLSA-N 2 2 295.387 -0.229 20 0 CBADLP C[C@H](C[NH2+]CC(=O)N(C)C)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001420345551 907115315 /nfs/dbraw/zinc/11/53/15/907115315.db2.gz VYVVBEMCCAXMCQ-GHMZBOCLSA-N 2 2 295.387 -0.229 20 0 CBADLP C[C@H](C[NH2+]Cc1ccn(C)n1)NC(=O)Cn1cc[nH+]c1 ZINC001420388829 907136157 /nfs/dbraw/zinc/13/61/57/907136157.db2.gz SXQYYWOITHROAB-LLVKDONJSA-N 2 2 276.344 -0.089 20 0 CBADLP C[C@@H](C[NH2+][C@H]1CCN(C)C1=O)NC(=O)CCn1cc[nH+]c1 ZINC001420448799 907166968 /nfs/dbraw/zinc/16/69/68/907166968.db2.gz VHSSANWMEXZFRO-RYUDHWBXSA-N 2 2 293.371 -0.402 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CCC[N@H+]1[C@@H](C)C(N)=O ZINC001420467705 907175644 /nfs/dbraw/zinc/17/56/44/907175644.db2.gz KDBZOMQCEZZVQH-RYUDHWBXSA-N 2 2 293.371 -0.354 20 0 CBADLP C[C@@H](C[NH2+]Cc1cncn1C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001420479727 907180188 /nfs/dbraw/zinc/18/01/88/907180188.db2.gz KYSMXILLKOUHOX-JTQLQIEISA-N 2 2 276.344 -0.020 20 0 CBADLP CC[C@H]([NH2+]C[C@H](C)NC(=O)CCc1c[nH+]cn1C)C(N)=O ZINC001420505992 907187779 /nfs/dbraw/zinc/18/77/79/907187779.db2.gz LLXQIZGFXZFZCC-JQWIXIFHSA-N 2 2 295.387 -0.289 20 0 CBADLP CCN(CC)C(=O)C[NH2+]C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001420520307 907194518 /nfs/dbraw/zinc/19/45/18/907194518.db2.gz HBESMTCUNFBICB-LBPRGKRZSA-N 2 2 295.387 -0.154 20 0 CBADLP COC[C@@H](O)C[N@@H+]1CC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001420537946 907202314 /nfs/dbraw/zinc/20/23/14/907202314.db2.gz DLHTVGRHKUUBGO-NEPJUHHUSA-N 2 2 296.371 -0.602 20 0 CBADLP COC[C@@H](O)C[N@H+]1CC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001420537946 907202329 /nfs/dbraw/zinc/20/23/29/907202329.db2.gz DLHTVGRHKUUBGO-NEPJUHHUSA-N 2 2 296.371 -0.602 20 0 CBADLP C[C@H](C[N@H+](C)[C@H](C)C(N)=O)NC(=O)CCn1cc[nH+]c1 ZINC001420608053 907237364 /nfs/dbraw/zinc/23/73/64/907237364.db2.gz AWOMKLLNBJBPTR-GHMZBOCLSA-N 2 2 281.360 -0.417 20 0 CBADLP C[C@H](C[N@@H+](C)[C@H](C)C(N)=O)NC(=O)CCn1cc[nH+]c1 ZINC001420608053 907237381 /nfs/dbraw/zinc/23/73/81/907237381.db2.gz AWOMKLLNBJBPTR-GHMZBOCLSA-N 2 2 281.360 -0.417 20 0 CBADLP CC[C@H]([NH2+]CCN(C)C(=O)Cc1c[nH+]cn1C)C(N)=O ZINC001420725859 907285901 /nfs/dbraw/zinc/28/59/01/907285901.db2.gz JDTNDNFUNKZBQA-NSHDSACASA-N 2 2 281.360 -0.726 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N(C)CC[NH2+][C@@H]1CCN(C)C1=O ZINC001420740937 907290279 /nfs/dbraw/zinc/29/02/79/907290279.db2.gz LMMCCXNCRDZLIU-LLVKDONJSA-N 2 2 293.371 -0.461 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001420745070 907294595 /nfs/dbraw/zinc/29/45/95/907294595.db2.gz RGFLZWJQHMEPMU-JTQLQIEISA-N 2 2 281.360 -0.557 20 0 CBADLP C[C@H]([NH2+]C[C@H](NC(=O)Cn1cc[nH+]c1)C1CC1)C(N)=O ZINC001420794680 907301883 /nfs/dbraw/zinc/30/18/83/907301883.db2.gz GKBHQIVRYZFTMR-ONGXEEELSA-N 2 2 279.344 -0.759 20 0 CBADLP C[C@H]([NH2+]C1(CNC(=O)CC[NH+](C)C)CC1)c1nnnn1C ZINC001420970283 907375817 /nfs/dbraw/zinc/37/58/17/907375817.db2.gz RZNMZMIOZFLQAY-JTQLQIEISA-N 2 2 295.391 -0.539 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001420992810 907385880 /nfs/dbraw/zinc/38/58/80/907385880.db2.gz FNWIIKIAIAVXGH-SNVBAGLBSA-N 2 2 293.371 -0.665 20 0 CBADLP CO[C@@H](C)C[NH+]1CC(N(C)C(=O)CC[NH+]2CCOCC2)C1 ZINC001421085437 907421249 /nfs/dbraw/zinc/42/12/49/907421249.db2.gz RISSNODNRBQGRS-ZDUSSCGKSA-N 2 2 299.415 -0.114 20 0 CBADLP COC[C@@H](O)C[NH+]1CC(N(C)C(=O)C[N@H+](C)C(C)C)C1 ZINC001421093970 907425269 /nfs/dbraw/zinc/42/52/69/907425269.db2.gz UCHGYOQVTJUBIW-ZDUSSCGKSA-N 2 2 287.404 -0.524 20 0 CBADLP COC[C@@H](O)C[NH+]1CC(N(C)C(=O)C[N@@H+](C)C(C)C)C1 ZINC001421093970 907425276 /nfs/dbraw/zinc/42/52/76/907425276.db2.gz UCHGYOQVTJUBIW-ZDUSSCGKSA-N 2 2 287.404 -0.524 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]1C[NH2+][C@@H](C)C(N)=O ZINC001421143083 907441773 /nfs/dbraw/zinc/44/17/73/907441773.db2.gz XENPNTXTLIQJBR-QWRGUYRKSA-N 2 2 293.371 -0.285 20 0 CBADLP CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001421271562 907479504 /nfs/dbraw/zinc/47/95/04/907479504.db2.gz IWMWNUOSGHNNGC-CYBMUJFWSA-N 2 2 296.415 -0.345 20 0 CBADLP CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001421271562 907479515 /nfs/dbraw/zinc/47/95/15/907479515.db2.gz IWMWNUOSGHNNGC-CYBMUJFWSA-N 2 2 296.415 -0.345 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)N1CCO[C@H](C[NH2+]CCO)C1 ZINC001502058495 921328580 /nfs/dbraw/zinc/32/85/80/921328580.db2.gz STUHWOUXPFESHO-GFCCVEGCSA-N 2 2 282.344 -0.848 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)N1CCO[C@H](C[NH2+]CCO)C1 ZINC001502058495 921328590 /nfs/dbraw/zinc/32/85/90/921328590.db2.gz STUHWOUXPFESHO-GFCCVEGCSA-N 2 2 282.344 -0.848 20 0 CBADLP COC[C@H](C)[NH+]1CC(O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001421415743 907538600 /nfs/dbraw/zinc/53/86/00/907538600.db2.gz DGXNDRVCYRAMLD-NWDGAFQWSA-N 2 2 285.388 -0.722 20 0 CBADLP COC[C@H](C)[NH+]1CC(O)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001421415743 907538607 /nfs/dbraw/zinc/53/86/07/907538607.db2.gz DGXNDRVCYRAMLD-NWDGAFQWSA-N 2 2 285.388 -0.722 20 0 CBADLP C[NH+](C)C1(C(=O)NCC2(O)C[NH+](CCCO)C2)CCC1 ZINC001421439853 907548045 /nfs/dbraw/zinc/54/80/45/907548045.db2.gz KYPSXTSMHKTRCE-UHFFFAOYSA-N 2 2 285.388 -0.984 20 0 CBADLP COC[C@@H](C)[NH+]1CC(O)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001421484429 907563186 /nfs/dbraw/zinc/56/31/86/907563186.db2.gz ZDLQLNFRYVDVEH-GFCCVEGCSA-N 2 2 299.415 -0.474 20 0 CBADLP CC[C@@H](CNC(=O)Cc1[nH]c[nH+]c1C)[NH2+][C@@H](C)C(N)=O ZINC001421478980 907563845 /nfs/dbraw/zinc/56/38/45/907563845.db2.gz RLLPILGTPRBYEC-UWVGGRQHSA-N 2 2 281.360 -0.381 20 0 CBADLP CC[C@@H](CNC(=O)CCc1c[nH+]cn1C)[NH2+]CC(N)=O ZINC001421479977 907564007 /nfs/dbraw/zinc/56/40/07/907564007.db2.gz NRWFCZQHRZJVJZ-JTQLQIEISA-N 2 2 281.360 -0.678 20 0 CBADLP CC[C@H](CNC(=O)CCc1c[nH+]cn1C)[NH2+]CC(N)=O ZINC001421479981 907564318 /nfs/dbraw/zinc/56/43/18/907564318.db2.gz NRWFCZQHRZJVJZ-SNVBAGLBSA-N 2 2 281.360 -0.678 20 0 CBADLP C[C@H]([NH2+]CC(N)=O)[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001421531448 907576661 /nfs/dbraw/zinc/57/66/61/907576661.db2.gz PEFPSXDUSRKJAQ-QWRGUYRKSA-N 2 2 293.371 -0.346 20 0 CBADLP C[C@H]([NH2+]CC(N)=O)[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001421531448 907576670 /nfs/dbraw/zinc/57/66/70/907576670.db2.gz PEFPSXDUSRKJAQ-QWRGUYRKSA-N 2 2 293.371 -0.346 20 0 CBADLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)C[NH2+]CC(=O)N(C)C ZINC001421756436 907637350 /nfs/dbraw/zinc/63/73/50/907637350.db2.gz DQCKIDZDRRKMSI-LLVKDONJSA-N 2 2 295.387 -0.607 20 0 CBADLP COC[C@H](O)C[NH2+]C1(CNC(=O)Cn2cc[nH+]c2)CCC1 ZINC001421784543 907643926 /nfs/dbraw/zinc/64/39/26/907643926.db2.gz PQRPOLRCZYXSMB-GFCCVEGCSA-N 2 2 296.371 -0.481 20 0 CBADLP CC(C)[NH2+]C1(CO)CC[NH+](C[C@H](O)C(C)(C)O)CC1 ZINC001421814450 907652841 /nfs/dbraw/zinc/65/28/41/907652841.db2.gz LALDHHKFDRXUSV-LBPRGKRZSA-N 2 2 274.405 -0.057 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N(C)CCC[N@@H+](C)[C@@H](C)C(N)=O ZINC001421897897 907673441 /nfs/dbraw/zinc/67/34/41/907673441.db2.gz UIDMFGPLYDCJAY-NSHDSACASA-N 2 2 295.387 -0.085 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N(C)CCC[N@H+](C)[C@@H](C)C(N)=O ZINC001421897897 907673445 /nfs/dbraw/zinc/67/34/45/907673445.db2.gz UIDMFGPLYDCJAY-NSHDSACASA-N 2 2 295.387 -0.085 20 0 CBADLP C[C@@H](C(N)=O)[N@H+](C)CCCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001421893217 907674543 /nfs/dbraw/zinc/67/45/43/907674543.db2.gz VGTCXTBYTCAFLI-JTQLQIEISA-N 2 2 281.360 -0.394 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+](C)CCCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001421893217 907674556 /nfs/dbraw/zinc/67/45/56/907674556.db2.gz VGTCXTBYTCAFLI-JTQLQIEISA-N 2 2 281.360 -0.394 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N[C@H]1COC2(C[NH+](CCO)C2)C1 ZINC001421942717 907687035 /nfs/dbraw/zinc/68/70/35/907687035.db2.gz POJQCKWBWAZSBU-GFCCVEGCSA-N 2 2 285.388 -0.722 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N[C@H]1COC2(C[NH+](CCO)C2)C1 ZINC001421942717 907687042 /nfs/dbraw/zinc/68/70/42/907687042.db2.gz POJQCKWBWAZSBU-GFCCVEGCSA-N 2 2 285.388 -0.722 20 0 CBADLP C[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)[C@H]1C[NH2+]CC(N)=O ZINC001422056097 907708699 /nfs/dbraw/zinc/70/86/99/907708699.db2.gz KCCDZVVOBCWWMN-PWSUYJOCSA-N 2 2 293.371 -0.346 20 0 CBADLP C[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)[C@H]1C[NH2+]CC(N)=O ZINC001422056093 907709670 /nfs/dbraw/zinc/70/96/70/907709670.db2.gz KCCDZVVOBCWWMN-JQWIXIFHSA-N 2 2 293.371 -0.346 20 0 CBADLP COC[C@@H](O)C[N@H+](C)CCN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001422228423 907754342 /nfs/dbraw/zinc/75/43/42/907754342.db2.gz YIPHLIMGHUWIOS-LBPRGKRZSA-N 2 2 298.387 -0.342 20 0 CBADLP COC[C@@H](O)C[N@@H+](C)CCN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001422228423 907754355 /nfs/dbraw/zinc/75/43/55/907754355.db2.gz YIPHLIMGHUWIOS-LBPRGKRZSA-N 2 2 298.387 -0.342 20 0 CBADLP CNC(=O)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001422284455 907781398 /nfs/dbraw/zinc/78/13/98/907781398.db2.gz YKYGHSWRBCEDFI-VXGBXAGGSA-N 2 2 293.371 -0.496 20 0 CBADLP C[N@@H+]1C[C@@H]2C[NH+](CC3CN(S(C)(=O)=O)C3)C[C@]2(C)C1 ZINC001422331704 907807893 /nfs/dbraw/zinc/80/78/93/907807893.db2.gz OMAWLFFKMIJTCM-OLZOCXBDSA-N 2 2 287.429 -0.239 20 0 CBADLP C[N@H+]1C[C@@H]2C[NH+](CC3CN(S(C)(=O)=O)C3)C[C@]2(C)C1 ZINC001422331704 907807900 /nfs/dbraw/zinc/80/79/00/907807900.db2.gz OMAWLFFKMIJTCM-OLZOCXBDSA-N 2 2 287.429 -0.239 20 0 CBADLP C[NH+]1C[C@@H]2C[N@H+](CC3CN(S(C)(=O)=O)C3)C[C@]2(C)C1 ZINC001422331704 907807909 /nfs/dbraw/zinc/80/79/09/907807909.db2.gz OMAWLFFKMIJTCM-OLZOCXBDSA-N 2 2 287.429 -0.239 20 0 CBADLP C[NH+]1C[C@@H]2C[N@@H+](CC3CN(S(C)(=O)=O)C3)C[C@]2(C)C1 ZINC001422331704 907807917 /nfs/dbraw/zinc/80/79/17/907807917.db2.gz OMAWLFFKMIJTCM-OLZOCXBDSA-N 2 2 287.429 -0.239 20 0 CBADLP O=C(NC[C@@H](O)C[NH2+]CC1CC1)[C@H]1CCn2cc[nH+]c2C1 ZINC001422353763 907820497 /nfs/dbraw/zinc/82/04/97/907820497.db2.gz RNBUABVDNNVHRJ-STQMWFEESA-N 2 2 292.383 -0.078 20 0 CBADLP O=C(C[NH+]1CCCC1)NC[C@@H](O)C[NH2+]Cc1ccon1 ZINC001422399887 907842610 /nfs/dbraw/zinc/84/26/10/907842610.db2.gz CDVJFZIPOYZHQH-LBPRGKRZSA-N 2 2 282.344 -0.663 20 0 CBADLP CC1CC(C[NH2+]C[C@H](O)CNC(=O)Cn2cc[nH+]c2)C1 ZINC001422400984 907843991 /nfs/dbraw/zinc/84/39/91/907843991.db2.gz FSGVQIHLGJTJMP-BPCQOVAHSA-N 2 2 280.372 -0.004 20 0 CBADLP Cc1nnc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)[nH]1 ZINC001422469471 907873491 /nfs/dbraw/zinc/87/34/91/907873491.db2.gz CNZJKQFRULQYEX-KOLCDFICSA-N 2 2 280.376 -0.198 20 0 CBADLP Cc1nnc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C)[nH]1 ZINC001422469471 907873504 /nfs/dbraw/zinc/87/35/04/907873504.db2.gz CNZJKQFRULQYEX-KOLCDFICSA-N 2 2 280.376 -0.198 20 0 CBADLP COC[C@@H](O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001422503951 907894575 /nfs/dbraw/zinc/89/45/75/907894575.db2.gz GYIASZAKMZBYIE-WRWGMCAJSA-N 2 2 296.371 -0.385 20 0 CBADLP COC[C@@H](O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001422503951 907894589 /nfs/dbraw/zinc/89/45/89/907894589.db2.gz GYIASZAKMZBYIE-WRWGMCAJSA-N 2 2 296.371 -0.385 20 0 CBADLP C[C@H](C[NH2+]CC(=O)NCC1CC1)NC(=O)Cn1cc[nH+]c1 ZINC001422617736 907946230 /nfs/dbraw/zinc/94/62/30/907946230.db2.gz OSKNIUFRYUMKQL-LLVKDONJSA-N 2 2 293.371 -0.496 20 0 CBADLP C[C@@H](C[NH2+]CC(=O)NC(C)(C)C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001422713370 907978451 /nfs/dbraw/zinc/97/84/51/907978451.db2.gz YTZMABYEFFGXGT-JTQLQIEISA-N 2 2 295.387 -0.039 20 0 CBADLP C[C@@H](C[NH2+][C@@H]1CCCNC1=O)NC(=O)Cc1c[nH]c[nH+]1 ZINC001422710851 907981388 /nfs/dbraw/zinc/98/13/88/907981388.db2.gz PGKRZZGZUYUDSR-GXSJLCMTSA-N 2 2 279.344 -0.675 20 0 CBADLP C[NH+](C)CC1(C(=O)N[C@H]2C[N@H+](CC(N)=O)CC2(C)C)CC1 ZINC001422781569 908003667 /nfs/dbraw/zinc/00/36/67/908003667.db2.gz BOBJNJJPCIEUKO-NSHDSACASA-N 2 2 296.415 -0.360 20 0 CBADLP C[NH+](C)CC1(C(=O)N[C@H]2C[N@@H+](CC(N)=O)CC2(C)C)CC1 ZINC001422781569 908003683 /nfs/dbraw/zinc/00/36/83/908003683.db2.gz BOBJNJJPCIEUKO-NSHDSACASA-N 2 2 296.415 -0.360 20 0 CBADLP C[C@H]([NH2+]CCO)[C@H]1CN(C(=O)CCn2cc[nH+]c2)CCO1 ZINC001422848176 908033250 /nfs/dbraw/zinc/03/32/50/908033250.db2.gz CWCSDIIPAZDPCC-QWHCGFSZSA-N 2 2 296.371 -0.529 20 0 CBADLP CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001423077344 908102296 /nfs/dbraw/zinc/10/22/96/908102296.db2.gz ONMLMEHALUMTCZ-NSHDSACASA-N 2 2 295.387 -0.085 20 0 CBADLP CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001423077344 908102305 /nfs/dbraw/zinc/10/23/05/908102305.db2.gz ONMLMEHALUMTCZ-NSHDSACASA-N 2 2 295.387 -0.085 20 0 CBADLP C[C@H](CN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1)[NH2+]CCO ZINC001423083457 908103445 /nfs/dbraw/zinc/10/34/45/908103445.db2.gz NEUUCMAYTVLTQM-VXGBXAGGSA-N 2 2 280.372 -0.126 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001423105565 908110781 /nfs/dbraw/zinc/11/07/81/908110781.db2.gz BFLILFOODDSRHQ-NWDGAFQWSA-N 2 2 296.415 -0.217 20 0 CBADLP CC[C@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001423105565 908110798 /nfs/dbraw/zinc/11/07/98/908110798.db2.gz BFLILFOODDSRHQ-NWDGAFQWSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)[NH2+][C@H]1CCNC1=O ZINC001423129489 908113512 /nfs/dbraw/zinc/11/35/12/908113512.db2.gz GUXPBHKDLZFDOP-KOLCDFICSA-N 2 2 279.344 -0.723 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001423184656 908136665 /nfs/dbraw/zinc/13/66/65/908136665.db2.gz RERZFWZXHFNITP-NWDGAFQWSA-N 2 2 284.404 -0.219 20 0 CBADLP CC[C@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001423184656 908136676 /nfs/dbraw/zinc/13/66/76/908136676.db2.gz RERZFWZXHFNITP-NWDGAFQWSA-N 2 2 284.404 -0.219 20 0 CBADLP CC[C@H](C(N)=O)[NH+]1CC[C@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001423184656 908136686 /nfs/dbraw/zinc/13/66/86/908136686.db2.gz RERZFWZXHFNITP-NWDGAFQWSA-N 2 2 284.404 -0.219 20 0 CBADLP CC[C@H](C(N)=O)[NH+]1CC[C@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001423184656 908136689 /nfs/dbraw/zinc/13/66/89/908136689.db2.gz RERZFWZXHFNITP-NWDGAFQWSA-N 2 2 284.404 -0.219 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001423184653 908136955 /nfs/dbraw/zinc/13/69/55/908136955.db2.gz RERZFWZXHFNITP-NEPJUHHUSA-N 2 2 284.404 -0.219 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001423184653 908136960 /nfs/dbraw/zinc/13/69/60/908136960.db2.gz RERZFWZXHFNITP-NEPJUHHUSA-N 2 2 284.404 -0.219 20 0 CBADLP CC[C@@H](C(N)=O)[NH+]1CC[C@@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001423184653 908136964 /nfs/dbraw/zinc/13/69/64/908136964.db2.gz RERZFWZXHFNITP-NEPJUHHUSA-N 2 2 284.404 -0.219 20 0 CBADLP CC[C@@H](C(N)=O)[NH+]1CC[C@@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001423184653 908136969 /nfs/dbraw/zinc/13/69/69/908136969.db2.gz RERZFWZXHFNITP-NEPJUHHUSA-N 2 2 284.404 -0.219 20 0 CBADLP NC(=O)C[NH2+]C1(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001423234706 908169067 /nfs/dbraw/zinc/16/90/67/908169067.db2.gz PKXXXLWCVYBHOR-JTQLQIEISA-N 2 2 291.355 -0.831 20 0 CBADLP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@H](CO)[NH2+]CCF)C2 ZINC001423264106 908183940 /nfs/dbraw/zinc/18/39/40/908183940.db2.gz OQSSAKRYTYZDKE-NWDGAFQWSA-N 2 2 298.362 -0.210 20 0 CBADLP C[C@H](O)C[NH2+]C1(CNC(=O)CCc2c[nH+]cn2C)CC1 ZINC001423311069 908201948 /nfs/dbraw/zinc/20/19/48/908201948.db2.gz DQVBSMIZDWNFKX-NSHDSACASA-N 2 2 280.372 -0.028 20 0 CBADLP CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H]1C ZINC001423327299 908205687 /nfs/dbraw/zinc/20/56/87/908205687.db2.gz SLPMSOQOROFIBE-CMPLNLGQSA-N 2 2 293.371 -0.333 20 0 CBADLP CN(C[C@H](O)C[NH2+]C[C@H]1CCOC1)C(=O)Cn1cc[nH+]c1 ZINC001423489454 908254210 /nfs/dbraw/zinc/25/42/10/908254210.db2.gz KILHESUIBIEPCF-CHWSQXEVSA-N 2 2 296.371 -0.672 20 0 CBADLP CN(C[C@H](O)C[N@H+](C)CCO)C(=O)CCc1c[nH+]cn1C ZINC001423537623 908273403 /nfs/dbraw/zinc/27/34/03/908273403.db2.gz MTDSTOVSYGAYDX-CYBMUJFWSA-N 2 2 298.387 -0.904 20 0 CBADLP CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)CCc1c[nH+]cn1C ZINC001423537623 908273412 /nfs/dbraw/zinc/27/34/12/908273412.db2.gz MTDSTOVSYGAYDX-CYBMUJFWSA-N 2 2 298.387 -0.904 20 0 CBADLP C[C@@H](O)C[N@@H+]1CC[C@](C)(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001423577818 908285378 /nfs/dbraw/zinc/28/53/78/908285378.db2.gz DOKKCBYDRQOUDW-RISCZKNCSA-N 2 2 280.372 -0.076 20 0 CBADLP C[C@@H](O)C[N@H+]1CC[C@](C)(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001423577818 908285391 /nfs/dbraw/zinc/28/53/91/908285391.db2.gz DOKKCBYDRQOUDW-RISCZKNCSA-N 2 2 280.372 -0.076 20 0 CBADLP O=C(CCn1cc[nH+]c1)NC[C@@]1(O)CC[N@H+](CCF)C1 ZINC001423778809 908327483 /nfs/dbraw/zinc/32/74/83/908327483.db2.gz NAUNHFPXAPWFFI-ZDUSSCGKSA-N 2 2 284.335 -0.204 20 0 CBADLP O=C(CCn1cc[nH+]c1)NC[C@@]1(O)CC[N@@H+](CCF)C1 ZINC001423778809 908327502 /nfs/dbraw/zinc/32/75/02/908327502.db2.gz NAUNHFPXAPWFFI-ZDUSSCGKSA-N 2 2 284.335 -0.204 20 0 CBADLP CO[C@@H](C)C[NH+]1CC(O)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001423867965 908362292 /nfs/dbraw/zinc/36/22/92/908362292.db2.gz HEHIYLOVQCVOAV-LBPRGKRZSA-N 2 2 299.415 -0.474 20 0 CBADLP C[C@@H]1[C@@H]([NH+](C)C)CCN1S(=O)(=O)N1CC[NH+](C)CC1 ZINC001424110289 908409062 /nfs/dbraw/zinc/40/90/62/908409062.db2.gz CGNDCFPELSIJOC-NEPJUHHUSA-N 2 2 290.433 -0.497 20 0 CBADLP CC(C)[C@@H](C(=O)N[C@@H]1COC2(C[NH+](CCO)C2)C1)[NH+](C)C ZINC001424371625 908450258 /nfs/dbraw/zinc/45/02/58/908450258.db2.gz XUZXDUFZAVUVCB-STQMWFEESA-N 2 2 299.415 -0.476 20 0 CBADLP C[C@@H](O)C[NH+]1CCC(CO)(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001424649508 908482134 /nfs/dbraw/zinc/48/21/34/908482134.db2.gz KKARUTLOSBECSX-GFCCVEGCSA-N 2 2 296.371 -0.793 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)NC1CC(C[NH2+]CC(N)=O)C1 ZINC001424728634 908494521 /nfs/dbraw/zinc/49/45/21/908494521.db2.gz GELNRBJBXWRTNL-UHFFFAOYSA-N 2 2 293.371 -0.678 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)NC1(CO)CC[NH+](CCO)CC1 ZINC001505381051 921417863 /nfs/dbraw/zinc/41/78/63/921417863.db2.gz QXUROXXBYIHAKC-UHFFFAOYSA-N 2 2 296.371 -0.722 20 0 CBADLP C[C@@H](CNC(=O)CCn1cc[nH+]c1)[N@H+](C)[C@@H]1CCNC1=O ZINC001424982659 908541858 /nfs/dbraw/zinc/54/18/58/908541858.db2.gz MDDHVQITKUZJNQ-NWDGAFQWSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@@H](CNC(=O)CCn1cc[nH+]c1)[N@@H+](C)[C@@H]1CCNC1=O ZINC001424982659 908541868 /nfs/dbraw/zinc/54/18/68/908541868.db2.gz MDDHVQITKUZJNQ-NWDGAFQWSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)[N@H+](C)[C@@H](C)C(N)=O ZINC001425051354 908559311 /nfs/dbraw/zinc/55/93/11/908559311.db2.gz DMWPXJQUUKKTAW-ZJUUUORDSA-N 2 2 281.360 -0.727 20 0 CBADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)[N@@H+](C)[C@@H](C)C(N)=O ZINC001425051354 908559322 /nfs/dbraw/zinc/55/93/22/908559322.db2.gz DMWPXJQUUKKTAW-ZJUUUORDSA-N 2 2 281.360 -0.727 20 0 CBADLP C[C@@H](CNC(=O)CCc1c[nH+]cn1C)[N@H+](C)[C@@H](C)C(N)=O ZINC001425046926 908561469 /nfs/dbraw/zinc/56/14/69/908561469.db2.gz CLDUIPRVSPMUNA-QWRGUYRKSA-N 2 2 295.387 -0.337 20 0 CBADLP C[C@@H](CNC(=O)CCc1c[nH+]cn1C)[N@@H+](C)[C@@H](C)C(N)=O ZINC001425046926 908561472 /nfs/dbraw/zinc/56/14/72/908561472.db2.gz CLDUIPRVSPMUNA-QWRGUYRKSA-N 2 2 295.387 -0.337 20 0 CBADLP C[C@@H](O)C[NH+]1CCC(CO)(NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001505389917 921420734 /nfs/dbraw/zinc/42/07/34/921420734.db2.gz GGHYVIUWFRMJQS-LLVKDONJSA-N 2 2 296.371 -0.724 20 0 CBADLP C[C@H](O)C[NH+]1CC(CCO)(NC(=O)CCC[NH+](C)C)C1 ZINC001425121386 908577903 /nfs/dbraw/zinc/57/79/03/908577903.db2.gz PWEKNUHGEYSTCI-LBPRGKRZSA-N 2 2 287.404 -0.738 20 0 CBADLP C[C@@H](CN(C)C(=O)Cc1[nH]cc[nH+]1)[NH2+][C@@H]1CCNC1=O ZINC001425677153 908689795 /nfs/dbraw/zinc/68/97/95/908689795.db2.gz YQVIXONBVSILPN-VHSXEESVSA-N 2 2 279.344 -0.723 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC1CC(C[NH2+]CCCO)C1 ZINC001505525881 921435555 /nfs/dbraw/zinc/43/55/55/921435555.db2.gz JBOMTOGTXBWFNH-UHFFFAOYSA-N 2 2 266.345 -0.181 20 0 CBADLP CCNC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001505720424 921472655 /nfs/dbraw/zinc/47/26/55/921472655.db2.gz NZRIFHGVTRXDKN-VHSXEESVSA-N 2 2 281.360 -0.429 20 0 CBADLP CC[C@@H](C(=O)N[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1)[NH+](C)C ZINC001430745907 909384784 /nfs/dbraw/zinc/38/47/84/909384784.db2.gz TWFBOJVSXWGORE-MNOVXSKESA-N 2 2 295.387 -0.087 20 0 CBADLP C[C@H](CNC(=O)CC[NH+](C)C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001430749112 909386525 /nfs/dbraw/zinc/38/65/25/909386525.db2.gz HCGDYLJQQPDGHA-SNVBAGLBSA-N 2 2 281.360 -0.475 20 0 CBADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001431703855 909523930 /nfs/dbraw/zinc/52/39/30/909523930.db2.gz OZAUHQYSHOLCIA-GHMZBOCLSA-N 2 2 293.371 -0.333 20 0 CBADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001431703855 909523942 /nfs/dbraw/zinc/52/39/42/909523942.db2.gz OZAUHQYSHOLCIA-GHMZBOCLSA-N 2 2 293.371 -0.333 20 0 CBADLP CCN(CCNC(=O)CC[NH+](C)C)C(=O)Cn1cc[nH+]c1 ZINC001431702204 909526723 /nfs/dbraw/zinc/52/67/23/909526723.db2.gz VGUPUISKGVRBNH-UHFFFAOYSA-N 2 2 295.387 -0.201 20 0 CBADLP C[C@H]1CC[N@H+](CC(=O)NCC[NH+]2CCC3(C2)OCCO3)C1 ZINC001434202248 910039580 /nfs/dbraw/zinc/03/95/80/910039580.db2.gz HXPODSGMJUKLOF-ZDUSSCGKSA-N 2 2 297.399 -0.107 20 0 CBADLP C[C@H]1CC[N@@H+](CC(=O)NCC[NH+]2CCC3(C2)OCCO3)C1 ZINC001434202248 910039601 /nfs/dbraw/zinc/03/96/01/910039601.db2.gz HXPODSGMJUKLOF-ZDUSSCGKSA-N 2 2 297.399 -0.107 20 0 CBADLP C[C@H]1CC[NH+](CC(=O)NCC[N@@H+]2CCC3(C2)OCCO3)C1 ZINC001434202248 910039620 /nfs/dbraw/zinc/03/96/20/910039620.db2.gz HXPODSGMJUKLOF-ZDUSSCGKSA-N 2 2 297.399 -0.107 20 0 CBADLP C[C@H]1CC[NH+](CC(=O)NCC[N@H+]2CCC3(C2)OCCO3)C1 ZINC001434202248 910039639 /nfs/dbraw/zinc/03/96/39/910039639.db2.gz HXPODSGMJUKLOF-ZDUSSCGKSA-N 2 2 297.399 -0.107 20 0 CBADLP C[C@H](O)C[NH+]1CC(CCO)(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001506125591 921550569 /nfs/dbraw/zinc/55/05/69/921550569.db2.gz WHIBVILGKTZDGI-QWHCGFSZSA-N 2 2 299.415 -0.738 20 0 CBADLP C[C@H](O)C[NH+]1CC(CCO)(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001506125591 921550578 /nfs/dbraw/zinc/55/05/78/921550578.db2.gz WHIBVILGKTZDGI-QWHCGFSZSA-N 2 2 299.415 -0.738 20 0 CBADLP C[C@H]1C[N@@H+](C2CC2)CCN1C(=O)CN1CC[NH+](C)CC1 ZINC001434438314 910184103 /nfs/dbraw/zinc/18/41/03/910184103.db2.gz LDDVRCSGIRHNEE-ZDUSSCGKSA-N 2 2 280.416 -0.071 20 0 CBADLP C[C@H]1C[N@H+](C2CC2)CCN1C(=O)CN1CC[NH+](C)CC1 ZINC001434438314 910184115 /nfs/dbraw/zinc/18/41/15/910184115.db2.gz LDDVRCSGIRHNEE-ZDUSSCGKSA-N 2 2 280.416 -0.071 20 0 CBADLP Cn1c[nH+]cc1CCC[N@@H+]1CCn2c(CO)nnc2C1 ZINC001434461435 910198092 /nfs/dbraw/zinc/19/80/92/910198092.db2.gz UCDOVPXGGHCRGN-UHFFFAOYSA-N 2 2 276.344 -0.048 20 0 CBADLP Cn1c[nH+]cc1CCC[N@H+]1CCn2c(CO)nnc2C1 ZINC001434461435 910198100 /nfs/dbraw/zinc/19/81/00/910198100.db2.gz UCDOVPXGGHCRGN-UHFFFAOYSA-N 2 2 276.344 -0.048 20 0 CBADLP COC[C@@](C)(CC(=O)OC)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC001434461689 910199550 /nfs/dbraw/zinc/19/95/50/910199550.db2.gz LOJYQTYCNPNPGU-TZMCWYRMSA-N 2 2 288.388 -0.001 20 0 CBADLP COC[C@@](C)(CC(=O)OC)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC001434461689 910199561 /nfs/dbraw/zinc/19/95/61/910199561.db2.gz LOJYQTYCNPNPGU-TZMCWYRMSA-N 2 2 288.388 -0.001 20 0 CBADLP C[NH+](C)C[C@H]1CCN(S(=O)(=O)N2CC[NH+](C)CC2)C1 ZINC001434561097 910262468 /nfs/dbraw/zinc/26/24/68/910262468.db2.gz AGOSPBYIPDATAA-GFCCVEGCSA-N 2 2 290.433 -0.638 20 0 CBADLP CC[C@H](C[NH+]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1)OC ZINC001434854813 910391427 /nfs/dbraw/zinc/39/14/27/910391427.db2.gz VFASXYUJBUVONH-ZIAGYGMSSA-N 2 2 299.415 -0.114 20 0 CBADLP CC[C@H](C[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1)OC ZINC001434854813 910391440 /nfs/dbraw/zinc/39/14/40/910391440.db2.gz VFASXYUJBUVONH-ZIAGYGMSSA-N 2 2 299.415 -0.114 20 0 CBADLP CCC[N@H+](C)CC(=O)N(C)C[C@H]1CC[NH+]1[C@H]1CCNC1=O ZINC001436324061 910425521 /nfs/dbraw/zinc/42/55/21/910425521.db2.gz AZIJIPHPACMRRP-OLZOCXBDSA-N 2 2 296.415 -0.251 20 0 CBADLP CCC[N@@H+](C)CC(=O)N(C)C[C@H]1CC[NH+]1[C@H]1CCNC1=O ZINC001436324061 910425530 /nfs/dbraw/zinc/42/55/30/910425530.db2.gz AZIJIPHPACMRRP-OLZOCXBDSA-N 2 2 296.415 -0.251 20 0 CBADLP CCC[NH+](C)CC(=O)N(C)C[C@H]1CC[N@@H+]1[C@H]1CCNC1=O ZINC001436324061 910425544 /nfs/dbraw/zinc/42/55/44/910425544.db2.gz AZIJIPHPACMRRP-OLZOCXBDSA-N 2 2 296.415 -0.251 20 0 CBADLP CCC[NH+](C)CC(=O)N(C)C[C@H]1CC[N@H+]1[C@H]1CCNC1=O ZINC001436324061 910425552 /nfs/dbraw/zinc/42/55/52/910425552.db2.gz AZIJIPHPACMRRP-OLZOCXBDSA-N 2 2 296.415 -0.251 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)CCC[NH+](C)C ZINC001436331020 910425646 /nfs/dbraw/zinc/42/56/46/910425646.db2.gz NVMARGCRQJWBSD-OLZOCXBDSA-N 2 2 298.431 -0.005 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)CCC[NH+](C)C ZINC001436331020 910425654 /nfs/dbraw/zinc/42/56/54/910425654.db2.gz NVMARGCRQJWBSD-OLZOCXBDSA-N 2 2 298.431 -0.005 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)CCC[NH+](C)C ZINC001436331027 910426759 /nfs/dbraw/zinc/42/67/59/910426759.db2.gz NVMARGCRQJWBSD-STQMWFEESA-N 2 2 298.431 -0.005 20 0 CBADLP CNC(=O)[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)CCC[NH+](C)C ZINC001436331027 910426784 /nfs/dbraw/zinc/42/67/84/910426784.db2.gz NVMARGCRQJWBSD-STQMWFEESA-N 2 2 298.431 -0.005 20 0 CBADLP CC[C@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)N(C)C)[NH+](C)C ZINC001436324696 910426971 /nfs/dbraw/zinc/42/69/71/910426971.db2.gz XGIOGUMBKMLVIO-QWHCGFSZSA-N 2 2 298.431 -0.053 20 0 CBADLP CC[C@H](C(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)N(C)C)[NH+](C)C ZINC001436324696 910426987 /nfs/dbraw/zinc/42/69/87/910426987.db2.gz XGIOGUMBKMLVIO-QWHCGFSZSA-N 2 2 298.431 -0.053 20 0 CBADLP Cn1nnc(C[NH2+][C@H]2C[C@H](NC(=O)CCC[NH+](C)C)C2)n1 ZINC001436908176 910506577 /nfs/dbraw/zinc/50/65/77/910506577.db2.gz ZZZQBCQGCFOFLB-XYPYZODXSA-N 2 2 295.391 -0.711 20 0 CBADLP CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001436926704 910510526 /nfs/dbraw/zinc/51/05/26/910510526.db2.gz QOKALLCHHHWTSK-MGCOHNPYSA-N 2 2 279.344 -0.757 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001436979431 910522208 /nfs/dbraw/zinc/52/22/08/910522208.db2.gz UYJCRZPMLHLBLH-MXWKQRLJSA-N 2 2 293.371 -0.666 20 0 CBADLP CC(C)NC(=O)C[NH2+][C@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001437143127 910565891 /nfs/dbraw/zinc/56/58/91/910565891.db2.gz CLFADDYJWKYUDK-LLVKDONJSA-N 2 2 295.387 -0.039 20 0 CBADLP CCCNC(=O)C[NH2+][C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001437233659 910596094 /nfs/dbraw/zinc/59/60/94/910596094.db2.gz DXAKJUVEUAYNMT-LLVKDONJSA-N 2 2 295.387 -0.417 20 0 CBADLP C[C@H](CCNC(=O)CCc1c[nH]c[nH+]1)[NH2+]CC(=O)N(C)C ZINC001437386730 910624693 /nfs/dbraw/zinc/62/46/93/910624693.db2.gz VXQHACKZKQJHNQ-LLVKDONJSA-N 2 2 295.387 -0.085 20 0 CBADLP C[C@H](CCNC(=O)CCc1c[nH+]c[nH]1)[NH2+]CC(=O)N(C)C ZINC001437386730 910624701 /nfs/dbraw/zinc/62/47/01/910624701.db2.gz VXQHACKZKQJHNQ-LLVKDONJSA-N 2 2 295.387 -0.085 20 0 CBADLP C[C@@H](O)C[NH+]1CC([C@H](C)NC(=O)Cn2cc[nH+]c2)C1 ZINC001506682460 921603401 /nfs/dbraw/zinc/60/34/01/921603401.db2.gz MNPBGQYCGPGQHZ-MNOVXSKESA-N 2 2 266.345 -0.300 20 0 CBADLP C[C@@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C1C[NH+](CC(N)=O)C1 ZINC001506655544 921601893 /nfs/dbraw/zinc/60/18/93/921601893.db2.gz NRTRVKLDHRBBLJ-WDEREUQCSA-N 2 2 282.388 -0.750 20 0 CBADLP C[C@@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C1C[NH+](CC(N)=O)C1 ZINC001506655544 921601897 /nfs/dbraw/zinc/60/18/97/921601897.db2.gz NRTRVKLDHRBBLJ-WDEREUQCSA-N 2 2 282.388 -0.750 20 0 CBADLP C[C@@H](NC(=O)Cn1cc[nH+]c1)C1C[NH+](C[C@H](C)O)C1 ZINC001506682462 921603783 /nfs/dbraw/zinc/60/37/83/921603783.db2.gz MNPBGQYCGPGQHZ-WDEREUQCSA-N 2 2 266.345 -0.300 20 0 CBADLP CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001438020707 910794016 /nfs/dbraw/zinc/79/40/16/910794016.db2.gz MFXIGHAFGLKIIB-LLVKDONJSA-N 2 2 270.377 -0.735 20 0 CBADLP CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001438020707 910794031 /nfs/dbraw/zinc/79/40/31/910794031.db2.gz MFXIGHAFGLKIIB-LLVKDONJSA-N 2 2 270.377 -0.735 20 0 CBADLP CCN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001438273342 910857079 /nfs/dbraw/zinc/85/70/79/910857079.db2.gz UHPACYZJBCWYFM-OLZOCXBDSA-N 2 2 296.415 -0.121 20 0 CBADLP CCN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001438273342 910857093 /nfs/dbraw/zinc/85/70/93/910857093.db2.gz UHPACYZJBCWYFM-OLZOCXBDSA-N 2 2 296.415 -0.121 20 0 CBADLP C[C@](C[NH2+]CC(N)=O)(NC(=O)CCc1c[nH]c[nH+]1)C1CC1 ZINC001438422438 910891259 /nfs/dbraw/zinc/89/12/59/910891259.db2.gz SFISQHGEXVWOBR-CQSZACIVSA-N 2 2 293.371 -0.298 20 0 CBADLP C[C@](C[NH2+]CC(N)=O)(NC(=O)CCc1c[nH+]c[nH]1)C1CC1 ZINC001438422438 910891271 /nfs/dbraw/zinc/89/12/71/910891271.db2.gz SFISQHGEXVWOBR-CQSZACIVSA-N 2 2 293.371 -0.298 20 0 CBADLP COCC[N@@H+]1CCO[C@@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001438561805 910925615 /nfs/dbraw/zinc/92/56/15/910925615.db2.gz BFVYZXHMOBMDRY-ZDUSSCGKSA-N 2 2 296.371 -0.345 20 0 CBADLP COCC[N@H+]1CCO[C@@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001438561805 910925640 /nfs/dbraw/zinc/92/56/40/910925640.db2.gz BFVYZXHMOBMDRY-ZDUSSCGKSA-N 2 2 296.371 -0.345 20 0 CBADLP CCC[N@H+](C)CC(=O)NC[C@H]1C[NH+](CCO)CCO1 ZINC001438587412 910931258 /nfs/dbraw/zinc/93/12/58/910931258.db2.gz PRQADLOXHKJRLX-LBPRGKRZSA-N 2 2 273.377 -0.863 20 0 CBADLP CCC[N@@H+](C)CC(=O)NC[C@H]1C[NH+](CCO)CCO1 ZINC001438587412 910931271 /nfs/dbraw/zinc/93/12/71/910931271.db2.gz PRQADLOXHKJRLX-LBPRGKRZSA-N 2 2 273.377 -0.863 20 0 CBADLP CCC[NH+](C)CC(=O)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001438587412 910931287 /nfs/dbraw/zinc/93/12/87/910931287.db2.gz PRQADLOXHKJRLX-LBPRGKRZSA-N 2 2 273.377 -0.863 20 0 CBADLP CCC[NH+](C)CC(=O)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001438587412 910931301 /nfs/dbraw/zinc/93/13/01/910931301.db2.gz PRQADLOXHKJRLX-LBPRGKRZSA-N 2 2 273.377 -0.863 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001438655922 910947613 /nfs/dbraw/zinc/94/76/13/910947613.db2.gz DHXZTFDFGOPOAV-SNVBAGLBSA-N 2 2 281.360 -0.475 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001438655922 910947632 /nfs/dbraw/zinc/94/76/32/910947632.db2.gz DHXZTFDFGOPOAV-SNVBAGLBSA-N 2 2 281.360 -0.475 20 0 CBADLP CC[C@@H]([NH2+][C@H](CNC(=O)Cc1c[nH]c[nH+]1)C(C)C)C(N)=O ZINC001438835064 910974058 /nfs/dbraw/zinc/97/40/58/910974058.db2.gz OAZVVDMXXRGPLK-VXGBXAGGSA-N 2 2 295.387 -0.054 20 0 CBADLP CC(C)[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+][C@H](C)C(N)=O ZINC001438855576 910978383 /nfs/dbraw/zinc/97/83/83/910978383.db2.gz XUQHXZAUWCTSPP-GHMZBOCLSA-N 2 2 281.360 -0.513 20 0 CBADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH+](C)CC(=O)NC ZINC001438937016 911004118 /nfs/dbraw/zinc/00/41/18/911004118.db2.gz JUIIRDJOWWNBKI-CYBMUJFWSA-N 2 2 298.431 -0.003 20 0 CBADLP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH+](C)CC(=O)NC ZINC001438937016 911004136 /nfs/dbraw/zinc/00/41/36/911004136.db2.gz JUIIRDJOWWNBKI-CYBMUJFWSA-N 2 2 298.431 -0.003 20 0 CBADLP CC[NH+]1CCCC[C@@H]1C(=O)N(C)CC[N@H+](C)CC(=O)NC ZINC001438937016 911004149 /nfs/dbraw/zinc/00/41/49/911004149.db2.gz JUIIRDJOWWNBKI-CYBMUJFWSA-N 2 2 298.431 -0.003 20 0 CBADLP CC[NH+]1CCCC[C@@H]1C(=O)N(C)CC[N@@H+](C)CC(=O)NC ZINC001438937016 911004169 /nfs/dbraw/zinc/00/41/69/911004169.db2.gz JUIIRDJOWWNBKI-CYBMUJFWSA-N 2 2 298.431 -0.003 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)NC[C@H](O)C[NH2+]CC1CC1 ZINC001439048856 911074621 /nfs/dbraw/zinc/07/46/21/911074621.db2.gz ZAXWSYLOOKHZKC-CYBMUJFWSA-N 2 2 280.372 -0.171 20 0 CBADLP Cc1noc(C[NH2+]C[C@@H](O)CNC(=O)C[N@@H+](C)C(C)C)n1 ZINC001439053826 911076755 /nfs/dbraw/zinc/07/67/55/911076755.db2.gz JTNQTLZMRFSDDL-LLVKDONJSA-N 2 2 299.375 -0.715 20 0 CBADLP Cc1noc(C[NH2+]C[C@@H](O)CNC(=O)C[N@H+](C)C(C)C)n1 ZINC001439053826 911076780 /nfs/dbraw/zinc/07/67/80/911076780.db2.gz JTNQTLZMRFSDDL-LLVKDONJSA-N 2 2 299.375 -0.715 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)C[NH2+]CC(=O)NC1CC1 ZINC001439165874 911122915 /nfs/dbraw/zinc/12/29/15/911122915.db2.gz CHAIKDLBBYJFSL-SECBINFHSA-N 2 2 293.371 -0.366 20 0 CBADLP C[C@H](C[NH2+][C@@H]1CCCNC1=O)NC(=O)Cn1cc[nH+]c1 ZINC001439184597 911131011 /nfs/dbraw/zinc/13/10/11/911131011.db2.gz JRDYFVRGOMJMGW-GHMZBOCLSA-N 2 2 279.344 -0.744 20 0 CBADLP C[C@@H](C[NH2+]CC(N)=O)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001439224242 911146589 /nfs/dbraw/zinc/14/65/89/911146589.db2.gz VBZTZISUKHCRBM-VHSXEESVSA-N 2 2 279.344 -0.975 20 0 CBADLP Cc1cn(C(C)(C)C(=O)N[C@@H](C)C[NH2+][C@@H](C)C(N)=O)c[nH+]1 ZINC001439222823 911146830 /nfs/dbraw/zinc/14/68/30/911146830.db2.gz AIDZXBVLGKSFLP-ONGXEEELSA-N 2 2 295.387 -0.105 20 0 CBADLP C[C@@H](C[NH2+]CC(N)=O)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001439224241 911148204 /nfs/dbraw/zinc/14/82/04/911148204.db2.gz VBZTZISUKHCRBM-UWVGGRQHSA-N 2 2 279.344 -0.975 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001439408693 911205172 /nfs/dbraw/zinc/20/51/72/911205172.db2.gz UEBAYTVDNVGOSK-GHMZBOCLSA-N 2 2 281.360 -0.546 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001439408693 911205186 /nfs/dbraw/zinc/20/51/86/911205186.db2.gz UEBAYTVDNVGOSK-GHMZBOCLSA-N 2 2 281.360 -0.546 20 0 CBADLP C[C@@H](CCC[NH2+]CCO)NC(=O)Cc1c[nH]c[nH+]1 ZINC001506939230 921644848 /nfs/dbraw/zinc/64/48/48/921644848.db2.gz AYOCGCYQVNWYGC-JTQLQIEISA-N 2 2 254.334 -0.181 20 0 CBADLP C[C@H](CCC[NH2+]CCO)NC(=O)Cc1c[nH]c[nH+]1 ZINC001506939231 921646193 /nfs/dbraw/zinc/64/61/93/921646193.db2.gz AYOCGCYQVNWYGC-SNVBAGLBSA-N 2 2 254.334 -0.181 20 0 CBADLP CC[C@H]([NH2+]C1(CNC(=O)CCc2c[nH]c[nH+]2)CC1)C(N)=O ZINC001439612730 911259661 /nfs/dbraw/zinc/25/96/61/911259661.db2.gz PQVDEVOVFQUGOG-NSHDSACASA-N 2 2 293.371 -0.155 20 0 CBADLP COC[C@@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001440031603 911357028 /nfs/dbraw/zinc/35/70/28/911357028.db2.gz KYCWHXPGRDLHOO-TZMCWYRMSA-N 2 2 296.371 -0.529 20 0 CBADLP COC[C@@H](C)[N@H+]1CC[C@@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001440031603 911357049 /nfs/dbraw/zinc/35/70/49/911357049.db2.gz KYCWHXPGRDLHOO-TZMCWYRMSA-N 2 2 296.371 -0.529 20 0 CBADLP CO[C@@H](C)C[NH+]1CC(O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001440071395 911373994 /nfs/dbraw/zinc/37/39/94/911373994.db2.gz MYXXSHFRIDRSMG-LBPRGKRZSA-N 2 2 287.404 -0.474 20 0 CBADLP C[C@H](O)C[NH+]1CC(O)(CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001440081257 911376557 /nfs/dbraw/zinc/37/65/57/911376557.db2.gz DJMHHFJYFPLRSY-ZDUSSCGKSA-N 2 2 299.415 -0.738 20 0 CBADLP C[C@@H](O)C[NH+]1CC(O)(CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001440081254 911378229 /nfs/dbraw/zinc/37/82/29/911378229.db2.gz DJMHHFJYFPLRSY-CYBMUJFWSA-N 2 2 299.415 -0.738 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)C[NH+]1CCCC1 ZINC001440252746 911414367 /nfs/dbraw/zinc/41/43/67/911414367.db2.gz LMMJLOLUWYVCQD-QWHCGFSZSA-N 2 2 296.415 -0.251 20 0 CBADLP CNC(=O)[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)C[NH+]1CCCC1 ZINC001440252746 911414377 /nfs/dbraw/zinc/41/43/77/911414377.db2.gz LMMJLOLUWYVCQD-QWHCGFSZSA-N 2 2 296.415 -0.251 20 0 CBADLP COC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001440372423 911439647 /nfs/dbraw/zinc/43/96/47/911439647.db2.gz HFGGUEARSPBZED-DGCLKSJQSA-N 2 2 296.371 -0.196 20 0 CBADLP COC[C@H](C)[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001440372420 911439923 /nfs/dbraw/zinc/43/99/23/911439923.db2.gz HFGGUEARSPBZED-AAEUAGOBSA-N 2 2 296.371 -0.196 20 0 CBADLP CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)Cc2c[nH]c[nH+]2)n1 ZINC001440415856 911446873 /nfs/dbraw/zinc/44/68/73/911446873.db2.gz ZLSFWJUWNNOEKS-UHFFFAOYSA-N 2 2 290.327 -0.126 20 0 CBADLP C[C@@H]([NH2+]CC1CC(NC(=O)Cn2cc[nH+]c2)C1)C(N)=O ZINC001440763478 911508285 /nfs/dbraw/zinc/50/82/85/911508285.db2.gz QDOTZWHRXWEWLH-KPPDAEKUSA-N 2 2 279.344 -0.759 20 0 CBADLP CC(C)NC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001440842699 911526392 /nfs/dbraw/zinc/52/63/92/911526392.db2.gz XJDIBZOQRXMFNM-GHMZBOCLSA-N 2 2 295.387 -0.040 20 0 CBADLP CC(C)NC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001440842700 911530491 /nfs/dbraw/zinc/53/04/91/911530491.db2.gz XJDIBZOQRXMFNM-MNOVXSKESA-N 2 2 295.387 -0.040 20 0 CBADLP COC[C@H](O)C[N@H+](C)[C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001441007355 911581386 /nfs/dbraw/zinc/58/13/86/911581386.db2.gz UAGFNFHGNAAGIF-DGCLKSJQSA-N 2 2 298.387 -0.594 20 0 CBADLP COC[C@H](O)C[N@@H+](C)[C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001441007355 911581400 /nfs/dbraw/zinc/58/14/00/911581400.db2.gz UAGFNFHGNAAGIF-DGCLKSJQSA-N 2 2 298.387 -0.594 20 0 CBADLP C[C@H](C(=O)N(C)C)[N@@H+](C)[C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001441024156 911586904 /nfs/dbraw/zinc/58/69/04/911586904.db2.gz MDTMLCWGLXIBMK-NWDGAFQWSA-N 2 2 295.387 -0.204 20 0 CBADLP C[C@H](C(=O)N(C)C)[N@H+](C)[C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001441024156 911586919 /nfs/dbraw/zinc/58/69/19/911586919.db2.gz MDTMLCWGLXIBMK-NWDGAFQWSA-N 2 2 295.387 -0.204 20 0 CBADLP COC[C@@H](O)C[N@H+](C)[C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001441020796 911587562 /nfs/dbraw/zinc/58/75/62/911587562.db2.gz ALJLBNSZIISGJT-RYUDHWBXSA-N 2 2 284.360 -0.673 20 0 CBADLP COC[C@@H](O)C[N@@H+](C)[C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001441020796 911587567 /nfs/dbraw/zinc/58/75/67/911587567.db2.gz ALJLBNSZIISGJT-RYUDHWBXSA-N 2 2 284.360 -0.673 20 0 CBADLP CC[NH+]1CC(CCO)(NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001441073750 911603911 /nfs/dbraw/zinc/60/39/11/911603911.db2.gz FAXIKDWOWOCSOC-UHFFFAOYSA-N 2 2 299.415 -0.330 20 0 CBADLP O=C(CC[NH+]1CCCCC1)NC1(CCO)C[NH+](CCO)C1 ZINC001441078920 911604427 /nfs/dbraw/zinc/60/44/27/911604427.db2.gz HYVSKMPOWHYDBV-UHFFFAOYSA-N 2 2 299.415 -0.592 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)NC[C@H]([NH2+]CCO)C1CC1 ZINC001441238770 911629084 /nfs/dbraw/zinc/62/90/84/911629084.db2.gz YIFWFACFZFTDMI-LBPRGKRZSA-N 2 2 280.372 -0.171 20 0 CBADLP CNC(=O)C[NH2+][C@@H](CNC(=O)Cc1[nH]c[nH+]c1C)C1CC1 ZINC001441273233 911636532 /nfs/dbraw/zinc/63/65/32/911636532.db2.gz VMADRAZERCOBRV-LBPRGKRZSA-N 2 2 293.371 -0.509 20 0 CBADLP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)C1)C(N)=O ZINC001441499431 911684757 /nfs/dbraw/zinc/68/47/57/911684757.db2.gz SFSDSTINLBFOPA-GARJFASQSA-N 2 2 293.371 -0.537 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001441519502 911693938 /nfs/dbraw/zinc/69/39/38/911693938.db2.gz KOQFZXMHJFPBBR-AOOOYVTPSA-N 2 2 279.344 -0.925 20 0 CBADLP CC[C@@H]([NH2+][C@@H](C)CN(C)C(=O)Cc1[nH]c[nH+]c1C)C(N)=O ZINC001507146331 921689490 /nfs/dbraw/zinc/68/94/90/921689490.db2.gz DMOIKPCVFPXIEJ-GXSJLCMTSA-N 2 2 295.387 -0.039 20 0 CBADLP C[C@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)[NH2+]CC(N)=O ZINC001441873217 911839021 /nfs/dbraw/zinc/83/90/21/911839021.db2.gz LUNWIRCPOHLAMP-ZJUUUORDSA-N 2 2 279.344 -0.975 20 0 CBADLP CNC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001441870390 911839605 /nfs/dbraw/zinc/83/96/05/911839605.db2.gz UTGPMGIHEBJZBM-OPRDCNLKSA-N 2 2 279.344 -0.647 20 0 CBADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@@H]1CCN(C)C1=O ZINC001441960288 911866818 /nfs/dbraw/zinc/86/68/18/911866818.db2.gz AIEFEJKDIRUIBU-MWLCHTKSSA-N 2 2 279.344 -0.723 20 0 CBADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CC(=O)N1CCCC1 ZINC001441976925 911875073 /nfs/dbraw/zinc/87/50/73/911875073.db2.gz AQLPRLUVTIIGOU-LLVKDONJSA-N 2 2 293.371 -0.331 20 0 CBADLP CCN(C)C(=O)C[NH2+][C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001441972103 911875242 /nfs/dbraw/zinc/87/52/42/911875242.db2.gz MIOSDAYUOZRZMO-SNVBAGLBSA-N 2 2 281.360 -0.475 20 0 CBADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@@H]1CCCNC1=O ZINC001441979001 911882539 /nfs/dbraw/zinc/88/25/39/911882539.db2.gz YJBWXADRIXRZEY-MWLCHTKSSA-N 2 2 279.344 -0.675 20 0 CBADLP CNC(=O)C[N@H+](C)CCN(C(=O)[C@H]1CCC[NH+]1C)C(C)C ZINC001442100281 911927687 /nfs/dbraw/zinc/92/76/87/911927687.db2.gz DBJDWJXAPNZIOI-CYBMUJFWSA-N 2 2 298.431 -0.005 20 0 CBADLP CNC(=O)C[N@@H+](C)CCN(C(=O)[C@H]1CCC[NH+]1C)C(C)C ZINC001442100281 911927700 /nfs/dbraw/zinc/92/77/00/911927700.db2.gz DBJDWJXAPNZIOI-CYBMUJFWSA-N 2 2 298.431 -0.005 20 0 CBADLP CNC(=O)C[NH+](C)CCN(C(=O)[C@H]1CCC[N@@H+]1C)C(C)C ZINC001442100281 911927710 /nfs/dbraw/zinc/92/77/10/911927710.db2.gz DBJDWJXAPNZIOI-CYBMUJFWSA-N 2 2 298.431 -0.005 20 0 CBADLP CNC(=O)C[NH+](C)CCN(C(=O)[C@H]1CCC[N@H+]1C)C(C)C ZINC001442100281 911927722 /nfs/dbraw/zinc/92/77/22/911927722.db2.gz DBJDWJXAPNZIOI-CYBMUJFWSA-N 2 2 298.431 -0.005 20 0 CBADLP C[C@H]([NH2+][C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1)C(N)=O ZINC001442129185 911934288 /nfs/dbraw/zinc/93/42/88/911934288.db2.gz AUYKYTONFDVHEW-RYUDHWBXSA-N 2 2 293.371 -0.272 20 0 CBADLP COC[C@@H](O)C[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001442142304 911938491 /nfs/dbraw/zinc/93/84/91/911938491.db2.gz FBSDIVHUXJSDQP-AAEUAGOBSA-N 2 2 296.371 -0.602 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001442164656 911940051 /nfs/dbraw/zinc/94/00/51/911940051.db2.gz XVQQTQORUPNXSC-WDEREUQCSA-N 2 2 293.371 -0.475 20 0 CBADLP C[C@H]([NH2+]C[C@H](NC(=O)Cn1cc[nH+]c1)C(C)(C)C)C(N)=O ZINC001442170031 911940788 /nfs/dbraw/zinc/94/07/88/911940788.db2.gz FKNQBYHSEYBLNB-QWRGUYRKSA-N 2 2 295.387 -0.123 20 0 CBADLP C[C@@H]([NH2+]C[C@H](NC(=O)Cc1c[nH]c[nH+]1)C(C)(C)C)C(N)=O ZINC001442165328 911942180 /nfs/dbraw/zinc/94/21/80/911942180.db2.gz QLRVSQBBCNSKRA-KOLCDFICSA-N 2 2 295.387 -0.054 20 0 CBADLP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)[C@H]1CCNC1=O ZINC001442413719 912007994 /nfs/dbraw/zinc/00/79/94/912007994.db2.gz YDVSENVUGYDVAG-STQMWFEESA-N 2 2 296.415 -0.203 20 0 CBADLP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)[C@H]1CCNC1=O ZINC001442413719 912008008 /nfs/dbraw/zinc/00/80/08/912008008.db2.gz YDVSENVUGYDVAG-STQMWFEESA-N 2 2 296.415 -0.203 20 0 CBADLP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)[C@H]1CCNC1=O ZINC001442413719 912008023 /nfs/dbraw/zinc/00/80/23/912008023.db2.gz YDVSENVUGYDVAG-STQMWFEESA-N 2 2 296.415 -0.203 20 0 CBADLP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)[C@H]1CCNC1=O ZINC001442413719 912008037 /nfs/dbraw/zinc/00/80/37/912008037.db2.gz YDVSENVUGYDVAG-STQMWFEESA-N 2 2 296.415 -0.203 20 0 CBADLP CN(C)C(=O)C[N@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001442437530 912017048 /nfs/dbraw/zinc/01/70/48/912017048.db2.gz WXOVBEIBCUZEGP-GFCCVEGCSA-N 2 2 284.404 -0.393 20 0 CBADLP CN(C)C(=O)C[N@@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001442437530 912017061 /nfs/dbraw/zinc/01/70/61/912017061.db2.gz WXOVBEIBCUZEGP-GFCCVEGCSA-N 2 2 284.404 -0.393 20 0 CBADLP CN(C)C(=O)C[NH+](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001442437530 912017083 /nfs/dbraw/zinc/01/70/83/912017083.db2.gz WXOVBEIBCUZEGP-GFCCVEGCSA-N 2 2 284.404 -0.393 20 0 CBADLP CN(C)C(=O)C[NH+](C)CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001442437530 912017100 /nfs/dbraw/zinc/01/71/00/912017100.db2.gz WXOVBEIBCUZEGP-GFCCVEGCSA-N 2 2 284.404 -0.393 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NCC[N@@H+](C)CC(=O)NC1CC1 ZINC001442470145 912020934 /nfs/dbraw/zinc/02/09/34/912020934.db2.gz YIYJRUUVOMVREK-UHFFFAOYSA-N 2 2 293.371 -0.482 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NCC[N@H+](C)CC(=O)NC1CC1 ZINC001442470145 912020944 /nfs/dbraw/zinc/02/09/44/912020944.db2.gz YIYJRUUVOMVREK-UHFFFAOYSA-N 2 2 293.371 -0.482 20 0 CBADLP CC[N@H+](C)CCC(=O)NCC[NH+](C)CC(=O)N1CCCC1 ZINC001442565259 912051877 /nfs/dbraw/zinc/05/18/77/912051877.db2.gz BNSVWCVJVIFORP-UHFFFAOYSA-N 2 2 298.431 -0.001 20 0 CBADLP CC[N@@H+](C)CCC(=O)NCC[NH+](C)CC(=O)N1CCCC1 ZINC001442565259 912051892 /nfs/dbraw/zinc/05/18/92/912051892.db2.gz BNSVWCVJVIFORP-UHFFFAOYSA-N 2 2 298.431 -0.001 20 0 CBADLP CC[NH+](C)CCC(=O)NCC[N@H+](C)CC(=O)N1CCCC1 ZINC001442565259 912051911 /nfs/dbraw/zinc/05/19/11/912051911.db2.gz BNSVWCVJVIFORP-UHFFFAOYSA-N 2 2 298.431 -0.001 20 0 CBADLP CC[NH+](C)CCC(=O)NCC[N@@H+](C)CC(=O)N1CCCC1 ZINC001442565259 912051929 /nfs/dbraw/zinc/05/19/29/912051929.db2.gz BNSVWCVJVIFORP-UHFFFAOYSA-N 2 2 298.431 -0.001 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CCNC(=O)C[NH+]1CCCC1 ZINC001442606222 912058192 /nfs/dbraw/zinc/05/81/92/912058192.db2.gz GLKMDVLAQMOKOR-UHFFFAOYSA-N 2 2 284.404 -0.345 20 0 CBADLP CC[N@H+](CCNC(=O)Cn1cc[nH+]c1)[C@H]1CCN(C)C1=O ZINC001442767710 912096799 /nfs/dbraw/zinc/09/67/99/912096799.db2.gz LZKZHQVBDFNGCL-LBPRGKRZSA-N 2 2 293.371 -0.448 20 0 CBADLP CC[N@@H+](CCNC(=O)Cn1cc[nH+]c1)[C@H]1CCN(C)C1=O ZINC001442767710 912096814 /nfs/dbraw/zinc/09/68/14/912096814.db2.gz LZKZHQVBDFNGCL-LBPRGKRZSA-N 2 2 293.371 -0.448 20 0 CBADLP C[C@H](O)C[N@@H+]1CCC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001442810446 912106343 /nfs/dbraw/zinc/10/63/43/912106343.db2.gz NNIXRUNUMWFZHX-RYUDHWBXSA-N 2 2 280.372 -0.076 20 0 CBADLP C[C@H](O)C[N@H+]1CCC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001442810446 912106352 /nfs/dbraw/zinc/10/63/52/912106352.db2.gz NNIXRUNUMWFZHX-RYUDHWBXSA-N 2 2 280.372 -0.076 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@H]1CCC[N@@H+]1[C@H]1CCNC1=O ZINC001442849207 912113004 /nfs/dbraw/zinc/11/30/04/912113004.db2.gz QQBAHDUKNPDHRS-NEPJUHHUSA-N 2 2 291.355 -0.648 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@H]1CCC[N@H+]1[C@H]1CCNC1=O ZINC001442849207 912113012 /nfs/dbraw/zinc/11/30/12/912113012.db2.gz QQBAHDUKNPDHRS-NEPJUHHUSA-N 2 2 291.355 -0.648 20 0 CBADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)N(C)C(=O)CC[NH+](C)C ZINC001442914780 912123647 /nfs/dbraw/zinc/12/36/47/912123647.db2.gz ITUMVKMRDBHXCZ-LLVKDONJSA-N 2 2 295.387 -0.133 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001442900301 912125900 /nfs/dbraw/zinc/12/59/00/912125900.db2.gz AWYUFVGDRJMRPM-NEPJUHHUSA-N 2 2 293.371 -0.415 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001442900301 912125905 /nfs/dbraw/zinc/12/59/05/912125905.db2.gz AWYUFVGDRJMRPM-NEPJUHHUSA-N 2 2 293.371 -0.415 20 0 CBADLP C[C@H](C(N)=O)[N@H+](C)C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001443322690 912185386 /nfs/dbraw/zinc/18/53/86/912185386.db2.gz BRSPFPGQXDTALX-GHMZBOCLSA-N 2 2 293.371 -0.394 20 0 CBADLP C[C@H](C(N)=O)[N@@H+](C)C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001443322690 912185393 /nfs/dbraw/zinc/18/53/93/912185393.db2.gz BRSPFPGQXDTALX-GHMZBOCLSA-N 2 2 293.371 -0.394 20 0 CBADLP C[C@H](CC[NH+](C)C)NS(=O)(=O)N1CC[NH+](C)CC1 ZINC001463093530 914900073 /nfs/dbraw/zinc/90/00/73/914900073.db2.gz JKRISMKJCAFQIS-LLVKDONJSA-N 2 2 278.422 -0.592 20 0 CBADLP Cc1nnc([C@@H](C)[NH2+][C@H](CO)CNC(=O)CC[NH+](C)C)[nH]1 ZINC001507232070 921764066 /nfs/dbraw/zinc/76/40/66/921764066.db2.gz LGWHMRKTRWTDPN-KOLCDFICSA-N 2 2 298.391 -0.807 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC001468956944 915358780 /nfs/dbraw/zinc/35/87/80/915358780.db2.gz ZDKRPYNKMRJLOT-NSHDSACASA-N 2 2 266.345 -0.283 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC001468956944 915358800 /nfs/dbraw/zinc/35/88/00/915358800.db2.gz ZDKRPYNKMRJLOT-NSHDSACASA-N 2 2 266.345 -0.283 20 0 CBADLP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H](CO)[NH2+]Cc2ccon2)C1 ZINC001507234338 921767698 /nfs/dbraw/zinc/76/76/98/921767698.db2.gz XIRCTHODWCTBDW-YPMHNXCESA-N 2 2 296.371 -0.417 20 0 CBADLP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](CO)[NH2+]Cc2ccon2)C1 ZINC001507234338 921767706 /nfs/dbraw/zinc/76/77/06/921767706.db2.gz XIRCTHODWCTBDW-YPMHNXCESA-N 2 2 296.371 -0.417 20 0 CBADLP CC[N@@H+]1CC[C@H]1C(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C ZINC001469344698 915400812 /nfs/dbraw/zinc/40/08/12/915400812.db2.gz YRCBTTROKQHPEQ-NEPJUHHUSA-N 2 2 282.388 -0.341 20 0 CBADLP CC[N@H+]1CC[C@H]1C(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C ZINC001469344698 915400820 /nfs/dbraw/zinc/40/08/20/915400820.db2.gz YRCBTTROKQHPEQ-NEPJUHHUSA-N 2 2 282.388 -0.341 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NC[C@@H](CO)[NH2+]Cc1nccn1C ZINC001507265958 921798108 /nfs/dbraw/zinc/79/81/08/921798108.db2.gz WESFSJSXFAKCEB-LBPRGKRZSA-N 2 2 297.403 -0.673 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NC[C@@H](CO)[NH2+]Cc1nccn1C ZINC001507265958 921798115 /nfs/dbraw/zinc/79/81/15/921798115.db2.gz WESFSJSXFAKCEB-LBPRGKRZSA-N 2 2 297.403 -0.673 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1C[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001479410417 916130352 /nfs/dbraw/zinc/13/03/52/916130352.db2.gz GFIQZWJAEAIDBO-DCAQKATOSA-N 2 2 293.371 -0.381 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1C[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001479410418 916130513 /nfs/dbraw/zinc/13/05/13/916130513.db2.gz GFIQZWJAEAIDBO-GMTAPVOTSA-N 2 2 293.371 -0.381 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H]1C[C@H]([NH2+]CCO)C1 ZINC001479408710 916130772 /nfs/dbraw/zinc/13/07/72/916130772.db2.gz GYDGMLOEAFONJW-MGCOHNPYSA-N 2 2 252.318 -0.571 20 0 CBADLP Cn1cc(C[N@H+](C)CCCNC(=O)[C@H]2CCC[NH+]2C)nn1 ZINC001479790264 916174947 /nfs/dbraw/zinc/17/49/47/916174947.db2.gz ZUAVZJROPRDMRB-CYBMUJFWSA-N 2 2 294.403 -0.153 20 0 CBADLP Cn1cc(C[N@@H+](C)CCCNC(=O)[C@H]2CCC[NH+]2C)nn1 ZINC001479790264 916174955 /nfs/dbraw/zinc/17/49/55/916174955.db2.gz ZUAVZJROPRDMRB-CYBMUJFWSA-N 2 2 294.403 -0.153 20 0 CBADLP Cn1cc(C[NH+](C)CCCNC(=O)[C@H]2CCC[N@@H+]2C)nn1 ZINC001479790264 916174970 /nfs/dbraw/zinc/17/49/70/916174970.db2.gz ZUAVZJROPRDMRB-CYBMUJFWSA-N 2 2 294.403 -0.153 20 0 CBADLP Cn1cc(C[NH+](C)CCCNC(=O)[C@H]2CCC[N@H+]2C)nn1 ZINC001479790264 916174981 /nfs/dbraw/zinc/17/49/81/916174981.db2.gz ZUAVZJROPRDMRB-CYBMUJFWSA-N 2 2 294.403 -0.153 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCCC[N@@H+](C)[C@@H](C)C(N)=O ZINC001479810479 916184908 /nfs/dbraw/zinc/18/49/08/916184908.db2.gz XIAYRGYRTMEDPL-JTQLQIEISA-N 2 2 281.360 -0.427 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCCC[N@H+](C)[C@@H](C)C(N)=O ZINC001479810479 916184917 /nfs/dbraw/zinc/18/49/17/916184917.db2.gz XIAYRGYRTMEDPL-JTQLQIEISA-N 2 2 281.360 -0.427 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H]([NH2+]CCCO)C1CC1 ZINC001480054959 916279011 /nfs/dbraw/zinc/27/90/11/916279011.db2.gz HJJFWKYPEOYDPO-NSHDSACASA-N 2 2 266.345 -0.181 20 0 CBADLP C[C@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+][C@H](C)C(N)=O ZINC001480473480 916431076 /nfs/dbraw/zinc/43/10/76/916431076.db2.gz GABJQPMATLKDLL-RKDXNWHRSA-N 2 2 267.333 -0.690 20 0 CBADLP C[C@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH2+][C@H](C)C(N)=O ZINC001480473480 916431079 /nfs/dbraw/zinc/43/10/79/916431079.db2.gz GABJQPMATLKDLL-RKDXNWHRSA-N 2 2 267.333 -0.690 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001480474298 916432031 /nfs/dbraw/zinc/43/20/31/916432031.db2.gz JWUSTCBHEJHXQW-VHSXEESVSA-N 2 2 281.360 -0.429 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001480474298 916432040 /nfs/dbraw/zinc/43/20/40/916432040.db2.gz JWUSTCBHEJHXQW-VHSXEESVSA-N 2 2 281.360 -0.429 20 0 CBADLP C[C@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]CCCO ZINC001480512379 916444544 /nfs/dbraw/zinc/44/45/44/916444544.db2.gz QQCFPBAUGUJKQD-LLVKDONJSA-N 2 2 254.334 -0.250 20 0 CBADLP CNC(=O)C[NH2+][C@@H](C)CNC(=O)c1cccc2[nH+]ccn21 ZINC001480504336 916445389 /nfs/dbraw/zinc/44/53/89/916445389.db2.gz ZGXRHYFAGGTIDU-JTQLQIEISA-N 2 2 289.339 -0.212 20 0 CBADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CC(=O)NC1CC1 ZINC001480560327 916474557 /nfs/dbraw/zinc/47/45/57/916474557.db2.gz CVRJCFDEBJYCCB-SECBINFHSA-N 2 2 279.344 -0.675 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)[NH2+][C@H](C)C(=O)N(C)C ZINC001480580606 916483143 /nfs/dbraw/zinc/48/31/43/916483143.db2.gz WKXKTNRESNASQN-GXSJLCMTSA-N 2 2 295.387 -0.168 20 0 CBADLP C[C@H](CCNC(=O)[C@H]1CCc2[nH+]ccn2C1)[NH2+]CC(N)=O ZINC001480775065 916538368 /nfs/dbraw/zinc/53/83/68/916538368.db2.gz YWOFYSWIAJSAMC-MNOVXSKESA-N 2 2 293.371 -0.585 20 0 CBADLP CCN(C)C(=O)C[NH2+][C@H](C)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001480799125 916545072 /nfs/dbraw/zinc/54/50/72/916545072.db2.gz QFCOSJKXTLNTQY-LLVKDONJSA-N 2 2 295.387 -0.085 20 0 CBADLP C[C@H](CCNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@H]1CCCNC1=O ZINC001480795371 916545983 /nfs/dbraw/zinc/54/59/83/916545983.db2.gz RKBHVRBCSPHNGO-PWSUYJOCSA-N 2 2 293.371 -0.285 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NCC[C@@H](C)[NH2+]Cc1nnn(C)n1 ZINC001480814101 916549257 /nfs/dbraw/zinc/54/92/57/916549257.db2.gz SXTMEADNLQSMNY-LLVKDONJSA-N 2 2 297.407 -0.465 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NCC[C@@H](C)[NH2+]Cc1nnn(C)n1 ZINC001480814101 916549267 /nfs/dbraw/zinc/54/92/67/916549267.db2.gz SXTMEADNLQSMNY-LLVKDONJSA-N 2 2 297.407 -0.465 20 0 CBADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)[C@@H](C)C(N)=O ZINC001480872144 916592304 /nfs/dbraw/zinc/59/23/04/916592304.db2.gz WTFQBTZUCBHECM-NWDGAFQWSA-N 2 2 284.404 -0.217 20 0 CBADLP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)[C@@H](C)C(N)=O ZINC001480872144 916592322 /nfs/dbraw/zinc/59/23/22/916592322.db2.gz WTFQBTZUCBHECM-NWDGAFQWSA-N 2 2 284.404 -0.217 20 0 CBADLP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@H+](C)[C@@H](C)C(N)=O ZINC001480872144 916592341 /nfs/dbraw/zinc/59/23/41/916592341.db2.gz WTFQBTZUCBHECM-NWDGAFQWSA-N 2 2 284.404 -0.217 20 0 CBADLP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@@H+](C)[C@@H](C)C(N)=O ZINC001480872144 916592355 /nfs/dbraw/zinc/59/23/55/916592355.db2.gz WTFQBTZUCBHECM-NWDGAFQWSA-N 2 2 284.404 -0.217 20 0 CBADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)[C@H](C)C(N)=O ZINC001480872150 916594872 /nfs/dbraw/zinc/59/48/72/916594872.db2.gz WTFQBTZUCBHECM-VXGBXAGGSA-N 2 2 284.404 -0.217 20 0 CBADLP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)[C@H](C)C(N)=O ZINC001480872150 916594890 /nfs/dbraw/zinc/59/48/90/916594890.db2.gz WTFQBTZUCBHECM-VXGBXAGGSA-N 2 2 284.404 -0.217 20 0 CBADLP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@H+](C)[C@H](C)C(N)=O ZINC001480872150 916594905 /nfs/dbraw/zinc/59/49/05/916594905.db2.gz WTFQBTZUCBHECM-VXGBXAGGSA-N 2 2 284.404 -0.217 20 0 CBADLP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@@H+](C)[C@H](C)C(N)=O ZINC001480872150 916594928 /nfs/dbraw/zinc/59/49/28/916594928.db2.gz WTFQBTZUCBHECM-VXGBXAGGSA-N 2 2 284.404 -0.217 20 0 CBADLP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)[C@@H](C)C(N)=O ZINC001480872148 916597473 /nfs/dbraw/zinc/59/74/73/916597473.db2.gz WTFQBTZUCBHECM-RYUDHWBXSA-N 2 2 284.404 -0.217 20 0 CBADLP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)[C@@H](C)C(N)=O ZINC001480872148 916597478 /nfs/dbraw/zinc/59/74/78/916597478.db2.gz WTFQBTZUCBHECM-RYUDHWBXSA-N 2 2 284.404 -0.217 20 0 CBADLP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)[C@@H](C)C(N)=O ZINC001480872148 916597484 /nfs/dbraw/zinc/59/74/84/916597484.db2.gz WTFQBTZUCBHECM-RYUDHWBXSA-N 2 2 284.404 -0.217 20 0 CBADLP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)[C@@H](C)C(N)=O ZINC001480872148 916597488 /nfs/dbraw/zinc/59/74/88/916597488.db2.gz WTFQBTZUCBHECM-RYUDHWBXSA-N 2 2 284.404 -0.217 20 0 CBADLP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CC(N)=O ZINC001480883319 916607692 /nfs/dbraw/zinc/60/76/92/916607692.db2.gz CLILYAMKEWLFPJ-LBPRGKRZSA-N 2 2 284.404 -0.360 20 0 CBADLP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CC(N)=O ZINC001480883319 916607709 /nfs/dbraw/zinc/60/77/09/916607709.db2.gz CLILYAMKEWLFPJ-LBPRGKRZSA-N 2 2 284.404 -0.360 20 0 CBADLP CC(C)C[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)CC(N)=O ZINC001480883319 916607728 /nfs/dbraw/zinc/60/77/28/916607728.db2.gz CLILYAMKEWLFPJ-LBPRGKRZSA-N 2 2 284.404 -0.360 20 0 CBADLP CC(C)C[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)CC(N)=O ZINC001480883319 916607741 /nfs/dbraw/zinc/60/77/41/916607741.db2.gz CLILYAMKEWLFPJ-LBPRGKRZSA-N 2 2 284.404 -0.360 20 0 CBADLP C[NH+](C)CCCC(=O)NCC[N@H+](C)CC(=O)N1CCCC1 ZINC001480907483 916626747 /nfs/dbraw/zinc/62/67/47/916626747.db2.gz LBIXSIYBTDVFHJ-UHFFFAOYSA-N 2 2 298.431 -0.001 20 0 CBADLP C[NH+](C)CCCC(=O)NCC[N@@H+](C)CC(=O)N1CCCC1 ZINC001480907483 916626760 /nfs/dbraw/zinc/62/67/60/916626760.db2.gz LBIXSIYBTDVFHJ-UHFFFAOYSA-N 2 2 298.431 -0.001 20 0 CBADLP CN(C)C(=O)C[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001480946540 916648992 /nfs/dbraw/zinc/64/89/92/916648992.db2.gz RPTWCXZLIORVRH-NSHDSACASA-N 2 2 270.377 -0.926 20 0 CBADLP CN(C)C(=O)C[N@@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001480946540 916648996 /nfs/dbraw/zinc/64/89/96/916648996.db2.gz RPTWCXZLIORVRH-NSHDSACASA-N 2 2 270.377 -0.926 20 0 CBADLP CN(C)C(=O)C[NH+](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001480946540 916649003 /nfs/dbraw/zinc/64/90/03/916649003.db2.gz RPTWCXZLIORVRH-NSHDSACASA-N 2 2 270.377 -0.926 20 0 CBADLP CN(C)C(=O)C[NH+](C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001480946540 916649009 /nfs/dbraw/zinc/64/90/09/916649009.db2.gz RPTWCXZLIORVRH-NSHDSACASA-N 2 2 270.377 -0.926 20 0 CBADLP CC[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1CC)CC(N)=O ZINC001481019575 916687482 /nfs/dbraw/zinc/68/74/82/916687482.db2.gz XSEUGXDOPDMDLZ-GFCCVEGCSA-N 2 2 284.404 -0.216 20 0 CBADLP CC[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1CC)CC(N)=O ZINC001481019575 916687494 /nfs/dbraw/zinc/68/74/94/916687494.db2.gz XSEUGXDOPDMDLZ-GFCCVEGCSA-N 2 2 284.404 -0.216 20 0 CBADLP CC[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1CC)CC(N)=O ZINC001481019575 916687502 /nfs/dbraw/zinc/68/75/02/916687502.db2.gz XSEUGXDOPDMDLZ-GFCCVEGCSA-N 2 2 284.404 -0.216 20 0 CBADLP CC[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1CC)CC(N)=O ZINC001481019575 916687513 /nfs/dbraw/zinc/68/75/13/916687513.db2.gz XSEUGXDOPDMDLZ-GFCCVEGCSA-N 2 2 284.404 -0.216 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)NC[C@@H]1CC[N@H+](CCO)C1 ZINC001481122699 916725116 /nfs/dbraw/zinc/72/51/16/916725116.db2.gz NRPWUSLNXOCGRE-LBPRGKRZSA-N 2 2 280.372 -0.217 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)NC[C@@H]1CC[N@@H+](CCO)C1 ZINC001481122699 916725133 /nfs/dbraw/zinc/72/51/33/916725133.db2.gz NRPWUSLNXOCGRE-LBPRGKRZSA-N 2 2 280.372 -0.217 20 0 CBADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](CC(N)=O)C1CC1 ZINC001481172100 916740917 /nfs/dbraw/zinc/74/09/17/916740917.db2.gz ZVLDWOKBULVJSO-CYBMUJFWSA-N 2 2 296.415 -0.073 20 0 CBADLP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH+](CC(N)=O)C1CC1 ZINC001481172100 916740927 /nfs/dbraw/zinc/74/09/27/916740927.db2.gz ZVLDWOKBULVJSO-CYBMUJFWSA-N 2 2 296.415 -0.073 20 0 CBADLP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@H+](CC(N)=O)C1CC1 ZINC001481172100 916740944 /nfs/dbraw/zinc/74/09/44/916740944.db2.gz ZVLDWOKBULVJSO-CYBMUJFWSA-N 2 2 296.415 -0.073 20 0 CBADLP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@@H+](CC(N)=O)C1CC1 ZINC001481172100 916740949 /nfs/dbraw/zinc/74/09/49/916740949.db2.gz ZVLDWOKBULVJSO-CYBMUJFWSA-N 2 2 296.415 -0.073 20 0 CBADLP C[C@H]([NH2+]CCN(C)C(=O)c1cc(C[NH+](C)C)on1)C(N)=O ZINC001481250449 916791418 /nfs/dbraw/zinc/79/14/18/916791418.db2.gz URGNHDAKFPWGGX-VIFPVBQESA-N 2 2 297.359 -0.728 20 0 CBADLP C[C@@H](O)C[NH2+]CCN(C)C(=O)CCn1cc[nH+]c1 ZINC001481263811 916793204 /nfs/dbraw/zinc/79/32/04/916793204.db2.gz ADABXHIDVAYTMZ-LLVKDONJSA-N 2 2 254.334 -0.298 20 0 CBADLP C[N@@H+](CC(N)=O)CC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001481521949 916856905 /nfs/dbraw/zinc/85/69/05/916856905.db2.gz YWFYCSDCJYEKIY-UHFFFAOYSA-N 2 2 293.371 -0.461 20 0 CBADLP C[N@H+](CC(N)=O)CC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001481521949 916856925 /nfs/dbraw/zinc/85/69/25/916856925.db2.gz YWFYCSDCJYEKIY-UHFFFAOYSA-N 2 2 293.371 -0.461 20 0 CBADLP CCOCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001481524191 916857935 /nfs/dbraw/zinc/85/79/35/916857935.db2.gz WASVNMDAJBOWEE-KGLIPLIRSA-N 2 2 299.415 -0.066 20 0 CBADLP CCOCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001481524191 916857941 /nfs/dbraw/zinc/85/79/41/916857941.db2.gz WASVNMDAJBOWEE-KGLIPLIRSA-N 2 2 299.415 -0.066 20 0 CBADLP CCOCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001481524191 916857947 /nfs/dbraw/zinc/85/79/47/916857947.db2.gz WASVNMDAJBOWEE-KGLIPLIRSA-N 2 2 299.415 -0.066 20 0 CBADLP CCOCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001481524191 916857989 /nfs/dbraw/zinc/85/79/89/916857989.db2.gz WASVNMDAJBOWEE-KGLIPLIRSA-N 2 2 299.415 -0.066 20 0 CBADLP C[NH+](C)CCC(=O)NC1C[NH+](CCCN2CCCC2=O)C1 ZINC001481580252 916892860 /nfs/dbraw/zinc/89/28/60/916892860.db2.gz SABRFOBZCGPECQ-UHFFFAOYSA-N 2 2 296.415 -0.249 20 0 CBADLP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](CC(N)=O)C1 ZINC001481694735 916954448 /nfs/dbraw/zinc/95/44/48/916954448.db2.gz FKYTWWGHLYBXKP-JTQLQIEISA-N 2 2 256.350 -0.996 20 0 CBADLP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001481694735 916954455 /nfs/dbraw/zinc/95/44/55/916954455.db2.gz FKYTWWGHLYBXKP-JTQLQIEISA-N 2 2 256.350 -0.996 20 0 CBADLP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001481694735 916954467 /nfs/dbraw/zinc/95/44/67/916954467.db2.gz FKYTWWGHLYBXKP-JTQLQIEISA-N 2 2 256.350 -0.996 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)NCC1C[NH+](CCCO)C1 ZINC001481657436 916929768 /nfs/dbraw/zinc/92/97/68/916929768.db2.gz ZJKOMVLVNOKULT-UHFFFAOYSA-N 2 2 280.372 -0.217 20 0 CBADLP CCC[N@H+](C)CC(=O)NCC1C[NH+]([C@H]2CCNC2=O)C1 ZINC001481655697 916930260 /nfs/dbraw/zinc/93/02/60/916930260.db2.gz CSRGBZUZZZKQEC-LBPRGKRZSA-N 2 2 282.388 -0.735 20 0 CBADLP CCC[N@@H+](C)CC(=O)NCC1C[NH+]([C@H]2CCNC2=O)C1 ZINC001481655697 916930269 /nfs/dbraw/zinc/93/02/69/916930269.db2.gz CSRGBZUZZZKQEC-LBPRGKRZSA-N 2 2 282.388 -0.735 20 0 CBADLP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CC(N)=O)C1 ZINC001481694735 916954441 /nfs/dbraw/zinc/95/44/41/916954441.db2.gz FKYTWWGHLYBXKP-JTQLQIEISA-N 2 2 256.350 -0.996 20 0 CBADLP CCN(C(=O)C[NH+]1CC[C@H](C)C1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001481773859 916975025 /nfs/dbraw/zinc/97/50/25/916975025.db2.gz DTPDJWHJDWYXCH-STQMWFEESA-N 2 2 296.415 -0.264 20 0 CBADLP CCN(C(=O)C[NH+]1CC[C@H](C)C1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001481773859 916975035 /nfs/dbraw/zinc/97/50/35/916975035.db2.gz DTPDJWHJDWYXCH-STQMWFEESA-N 2 2 296.415 -0.264 20 0 CBADLP CCN(C(=O)C[N@@H+]1CC[C@H](C)C1)[C@H]1CC[NH+](CC(N)=O)C1 ZINC001481773859 916975047 /nfs/dbraw/zinc/97/50/47/916975047.db2.gz DTPDJWHJDWYXCH-STQMWFEESA-N 2 2 296.415 -0.264 20 0 CBADLP CCN(C(=O)C[N@H+]1CC[C@H](C)C1)[C@H]1CC[NH+](CC(N)=O)C1 ZINC001481773859 916975056 /nfs/dbraw/zinc/97/50/56/916975056.db2.gz DTPDJWHJDWYXCH-STQMWFEESA-N 2 2 296.415 -0.264 20 0 CBADLP CNC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001482023612 917033422 /nfs/dbraw/zinc/03/34/22/917033422.db2.gz XUBGDEDBAAPEKT-XYPYZODXSA-N 2 2 293.371 -0.285 20 0 CBADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+]Cc1cnn(C)n1 ZINC001482173819 917076042 /nfs/dbraw/zinc/07/60/42/917076042.db2.gz AWGBFNIBFZLXGJ-LLVKDONJSA-N 2 2 291.359 -0.446 20 0 CBADLP COCC[N@@H+]1CCO[C@@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001482202199 917091345 /nfs/dbraw/zinc/09/13/45/917091345.db2.gz CVFAGFCRGAPFBD-KGLIPLIRSA-N 2 2 299.415 -0.208 20 0 CBADLP COCC[N@H+]1CCO[C@@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001482202199 917091356 /nfs/dbraw/zinc/09/13/56/917091356.db2.gz CVFAGFCRGAPFBD-KGLIPLIRSA-N 2 2 299.415 -0.208 20 0 CBADLP COCC[NH+]1CCO[C@@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001482202199 917091363 /nfs/dbraw/zinc/09/13/63/917091363.db2.gz CVFAGFCRGAPFBD-KGLIPLIRSA-N 2 2 299.415 -0.208 20 0 CBADLP COCC[NH+]1CCO[C@@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001482202199 917091373 /nfs/dbraw/zinc/09/13/73/917091373.db2.gz CVFAGFCRGAPFBD-KGLIPLIRSA-N 2 2 299.415 -0.208 20 0 CBADLP C[C@@H](C[NH2+]CC(=O)N(C)C)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001482335837 917132499 /nfs/dbraw/zinc/13/24/99/917132499.db2.gz PEVXVXWRDWATEA-JTQLQIEISA-N 2 2 281.360 -0.523 20 0 CBADLP CN(CC[N@H+](C)CC(N)=O)C(=O)C12CCC[NH+](CCC1)C2 ZINC001482606201 917179505 /nfs/dbraw/zinc/17/95/05/917179505.db2.gz MCOGGVSZHIVFFU-UHFFFAOYSA-N 2 2 296.415 -0.262 20 0 CBADLP CN(CC[N@@H+](C)CC(N)=O)C(=O)C12CCC[NH+](CCC1)C2 ZINC001482606201 917179514 /nfs/dbraw/zinc/17/95/14/917179514.db2.gz MCOGGVSZHIVFFU-UHFFFAOYSA-N 2 2 296.415 -0.262 20 0 CBADLP CNC(=O)C[N@H+](C)CCN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001482607893 917181089 /nfs/dbraw/zinc/18/10/89/917181089.db2.gz QQHZEYPNEGVFGQ-GFCCVEGCSA-N 2 2 284.404 -0.393 20 0 CBADLP CNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001482607893 917181099 /nfs/dbraw/zinc/18/10/99/917181099.db2.gz QQHZEYPNEGVFGQ-GFCCVEGCSA-N 2 2 284.404 -0.393 20 0 CBADLP CNC(=O)C[NH+](C)CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001482607893 917181118 /nfs/dbraw/zinc/18/11/18/917181118.db2.gz QQHZEYPNEGVFGQ-GFCCVEGCSA-N 2 2 284.404 -0.393 20 0 CBADLP CNC(=O)C[NH+](C)CCN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001482607893 917181133 /nfs/dbraw/zinc/18/11/33/917181133.db2.gz QQHZEYPNEGVFGQ-GFCCVEGCSA-N 2 2 284.404 -0.393 20 0 CBADLP CN(CC[N@H+](C)CC(=O)NC1CC1)C(=O)[C@H]1CCC[NH+]1C ZINC001482619273 917183397 /nfs/dbraw/zinc/18/33/97/917183397.db2.gz PXWMZAZZVFWVRA-CYBMUJFWSA-N 2 2 296.415 -0.251 20 0 CBADLP CN(CC[N@@H+](C)CC(=O)NC1CC1)C(=O)[C@H]1CCC[NH+]1C ZINC001482619273 917183404 /nfs/dbraw/zinc/18/34/04/917183404.db2.gz PXWMZAZZVFWVRA-CYBMUJFWSA-N 2 2 296.415 -0.251 20 0 CBADLP CN(CC[NH+](C)CC(=O)NC1CC1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001482619273 917183410 /nfs/dbraw/zinc/18/34/10/917183410.db2.gz PXWMZAZZVFWVRA-CYBMUJFWSA-N 2 2 296.415 -0.251 20 0 CBADLP CN(CC[NH+](C)CC(=O)NC1CC1)C(=O)[C@H]1CCC[N@H+]1C ZINC001482619273 917183415 /nfs/dbraw/zinc/18/34/15/917183415.db2.gz PXWMZAZZVFWVRA-CYBMUJFWSA-N 2 2 296.415 -0.251 20 0 CBADLP NC(=O)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001482690259 917206291 /nfs/dbraw/zinc/20/62/91/917206291.db2.gz XZDOBVCWFIHGHM-KOLCDFICSA-N 2 2 279.344 -0.688 20 0 CBADLP CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001482744034 917245866 /nfs/dbraw/zinc/24/58/66/917245866.db2.gz OKGQSONKDLSRJR-QWRGUYRKSA-N 2 2 266.345 -0.468 20 0 CBADLP C[C@H](CC[NH2+]C[C@H](C)O)NC(=O)Cc1c[nH+]cn1C ZINC001482890349 917324431 /nfs/dbraw/zinc/32/44/31/917324431.db2.gz PNWSRZBWTWRHPU-MNOVXSKESA-N 2 2 268.361 -0.172 20 0 CBADLP CNC(=O)C[NH2+]CC[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001482890416 917326683 /nfs/dbraw/zinc/32/66/83/917326683.db2.gz MDPFWVKHAVMTQP-VIFPVBQESA-N 2 2 281.360 -0.509 20 0 CBADLP C[C@@H](CC[NH2+][C@@H]1CCCNC1=O)NC(=O)Cn1cc[nH+]c1 ZINC001482906485 917327560 /nfs/dbraw/zinc/32/75/60/917327560.db2.gz ZKVSLZDJPJEJHQ-NWDGAFQWSA-N 2 2 293.371 -0.354 20 0 CBADLP C[C@@H]([NH2+]CC[C@H](C)NC(=O)Cn1cc[nH+]c1)C(=O)N(C)C ZINC001482906515 917330271 /nfs/dbraw/zinc/33/02/71/917330271.db2.gz ZWKXWPNYANJRQP-NWDGAFQWSA-N 2 2 295.387 -0.156 20 0 CBADLP CN(C)C(=O)C[NH2+]C/C=C\CNC(=O)Cc1[nH]cc[nH+]1 ZINC001483077377 917400232 /nfs/dbraw/zinc/40/02/32/917400232.db2.gz JKPAILDXIYHJMJ-ARJAWSKDSA-N 2 2 279.344 -0.698 20 0 CBADLP CN(C)C(=O)C[NH2+]C/C=C/CNC(=O)Cc1[nH]cc[nH+]1 ZINC001483077378 917401756 /nfs/dbraw/zinc/40/17/56/917401756.db2.gz JKPAILDXIYHJMJ-ONEGZZNKSA-N 2 2 279.344 -0.698 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001483134156 917430140 /nfs/dbraw/zinc/43/01/40/917430140.db2.gz FSFMGGOGLPXYBJ-NXEZZACHSA-N 2 2 281.360 -0.429 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001483134156 917430148 /nfs/dbraw/zinc/43/01/48/917430148.db2.gz FSFMGGOGLPXYBJ-NXEZZACHSA-N 2 2 281.360 -0.429 20 0 CBADLP C[C@H](C[NH2+][C@H]1CCNC1=O)NC(=O)CCn1cc[nH+]c1 ZINC001483153525 917438690 /nfs/dbraw/zinc/43/86/90/917438690.db2.gz MPTKORUBEQECFL-MNOVXSKESA-N 2 2 279.344 -0.744 20 0 CBADLP CC[C@@H](C(=O)N[C@H](C)C[NH2+]CCS(C)(=O)=O)[NH+](C)C ZINC001483167308 917449457 /nfs/dbraw/zinc/44/94/57/917449457.db2.gz HEDYVYYTCMZRJN-MNOVXSKESA-N 2 2 293.433 -0.535 20 0 CBADLP C[C@@H](C[NH2+]CC(=O)N(C)C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001483236784 917485876 /nfs/dbraw/zinc/48/58/76/917485876.db2.gz ARWXZDOABPZVFY-HBNTYKKESA-N 2 2 293.371 -0.304 20 0 CBADLP C[C@@H](C[NH2+]CC(N)=O)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001483242021 917492046 /nfs/dbraw/zinc/49/20/46/917492046.db2.gz AEDHHUSCXWYNPE-VHSXEESVSA-N 2 2 279.344 -0.975 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)C[N@H+](C)CCO ZINC001483411627 917559074 /nfs/dbraw/zinc/55/90/74/917559074.db2.gz GOQRALRAHHGZDN-SECBINFHSA-N 2 2 254.334 -0.311 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)C[N@@H+](C)CCO ZINC001483411627 917559096 /nfs/dbraw/zinc/55/90/96/917559096.db2.gz GOQRALRAHHGZDN-SECBINFHSA-N 2 2 254.334 -0.311 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@@H](C)C[N@H+](C)CC(=O)N(C)C ZINC001483419735 917560671 /nfs/dbraw/zinc/56/06/71/917560671.db2.gz JTUOMCBTZHUAPV-NSHDSACASA-N 2 2 295.387 -0.284 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@@H](C)C[N@@H+](C)CC(=O)N(C)C ZINC001483419735 917560677 /nfs/dbraw/zinc/56/06/77/917560677.db2.gz JTUOMCBTZHUAPV-NSHDSACASA-N 2 2 295.387 -0.284 20 0 CBADLP NC(=O)C[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001483442901 917561788 /nfs/dbraw/zinc/56/17/88/917561788.db2.gz NRVQHXAQEQFVGK-QWRGUYRKSA-N 2 2 293.371 -0.298 20 0 CBADLP NC(=O)C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001483442902 917564142 /nfs/dbraw/zinc/56/41/42/917564142.db2.gz NRVQHXAQEQFVGK-WDEREUQCSA-N 2 2 293.371 -0.298 20 0 CBADLP CN(CCC[NH2+][C@@H]1CCN(C)C1=O)C(=O)Cc1c[nH+]c[nH]1 ZINC001483495158 917582967 /nfs/dbraw/zinc/58/29/67/917582967.db2.gz QWMANNGIPHZRHG-GFCCVEGCSA-N 2 2 293.371 -0.379 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001483656069 917627880 /nfs/dbraw/zinc/62/78/80/917627880.db2.gz WJWFMGRYPUZVRX-NWDGAFQWSA-N 2 2 296.415 -0.075 20 0 CBADLP CC[C@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001483656069 917627889 /nfs/dbraw/zinc/62/78/89/917627889.db2.gz WJWFMGRYPUZVRX-NWDGAFQWSA-N 2 2 296.415 -0.075 20 0 CBADLP C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001483675578 917632039 /nfs/dbraw/zinc/63/20/39/917632039.db2.gz FVGSCCQIMIOUGH-CHWSQXEVSA-N 2 2 298.431 -0.005 20 0 CBADLP C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001483675578 917632048 /nfs/dbraw/zinc/63/20/48/917632048.db2.gz FVGSCCQIMIOUGH-CHWSQXEVSA-N 2 2 298.431 -0.005 20 0 CBADLP C[C@@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001483695869 917642659 /nfs/dbraw/zinc/64/26/59/917642659.db2.gz SQRNUXFFGJICNV-GHMZBOCLSA-N 2 2 266.345 -0.466 20 0 CBADLP C[C@@H](O)C[N@H+]1CC[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001483695869 917642668 /nfs/dbraw/zinc/64/26/68/917642668.db2.gz SQRNUXFFGJICNV-GHMZBOCLSA-N 2 2 266.345 -0.466 20 0 CBADLP CC[C@H]([NH2+]C1(CNC(=O)Cc2c[nH]c[nH+]2)CC1)C(N)=O ZINC001483770710 917677482 /nfs/dbraw/zinc/67/74/82/917677482.db2.gz DESMEPDKMVFHBA-JTQLQIEISA-N 2 2 279.344 -0.546 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H]2C[NH2+]CCF)C1 ZINC001483924176 917706090 /nfs/dbraw/zinc/70/60/90/917706090.db2.gz GPJPUPFWDDVKCE-NWDGAFQWSA-N 2 2 273.352 -0.133 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H]2C[NH2+]CCF)C1 ZINC001483924176 917706095 /nfs/dbraw/zinc/70/60/95/917706095.db2.gz GPJPUPFWDDVKCE-NWDGAFQWSA-N 2 2 273.352 -0.133 20 0 CBADLP C[C@]1(NC(=O)Cn2cc[nH+]c2)CC[N@H+](CCCO)C1 ZINC001484074302 917736607 /nfs/dbraw/zinc/73/66/07/917736607.db2.gz QYTYBXZWCNZTCQ-ZDUSSCGKSA-N 2 2 266.345 -0.154 20 0 CBADLP C[C@]1(NC(=O)Cn2cc[nH+]c2)CC[N@@H+](CCCO)C1 ZINC001484074302 917736617 /nfs/dbraw/zinc/73/66/17/917736617.db2.gz QYTYBXZWCNZTCQ-ZDUSSCGKSA-N 2 2 266.345 -0.154 20 0 CBADLP CO[C@@H](C)C[N@@H+]1CC[C@@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001484255043 917797883 /nfs/dbraw/zinc/79/78/83/917797883.db2.gz VCMJWIDHCOGNQS-GXTWGEPZSA-N 2 2 296.371 -0.529 20 0 CBADLP CO[C@@H](C)C[N@H+]1CC[C@@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001484255043 917797893 /nfs/dbraw/zinc/79/78/93/917797893.db2.gz VCMJWIDHCOGNQS-GXTWGEPZSA-N 2 2 296.371 -0.529 20 0 CBADLP COCCC[NH+]1CC(O)(CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001484295498 917819360 /nfs/dbraw/zinc/81/93/60/917819360.db2.gz YCOAQARGFXFXIX-ZDUSSCGKSA-N 2 2 299.415 -0.472 20 0 CBADLP COCCC[NH+]1CC(O)(CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001484295498 917819375 /nfs/dbraw/zinc/81/93/75/917819375.db2.gz YCOAQARGFXFXIX-ZDUSSCGKSA-N 2 2 299.415 -0.472 20 0 CBADLP C[C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C[NH2+]CCO ZINC001484374267 917836907 /nfs/dbraw/zinc/83/69/07/917836907.db2.gz SIZFEGIYRCSCDE-STQMWFEESA-N 2 2 280.372 -0.050 20 0 CBADLP C[C@H](O)C[N@@H+]1CCOC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001484602308 917895393 /nfs/dbraw/zinc/89/53/93/917895393.db2.gz YELWMHDLDHSXGX-STQMWFEESA-N 2 2 287.404 -0.474 20 0 CBADLP C[C@H](O)C[N@H+]1CCOC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001484602308 917895406 /nfs/dbraw/zinc/89/54/06/917895406.db2.gz YELWMHDLDHSXGX-STQMWFEESA-N 2 2 287.404 -0.474 20 0 CBADLP C[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001484694645 917925990 /nfs/dbraw/zinc/92/59/90/917925990.db2.gz CTNSSFQZRFZJCE-WDEREUQCSA-N 2 2 282.344 -0.850 20 0 CBADLP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C ZINC001484899160 917963012 /nfs/dbraw/zinc/96/30/12/917963012.db2.gz KVSVMJHBAKLQCI-CMPLNLGQSA-N 2 2 293.371 -0.475 20 0 CBADLP C[C@@H](CCNC(=O)CCn1cc[nH+]c1)[NH2+][C@@H]1CCNC1=O ZINC001484996570 917978112 /nfs/dbraw/zinc/97/81/12/917978112.db2.gz SWPPIFCVXKBOQA-NWDGAFQWSA-N 2 2 293.371 -0.354 20 0 CBADLP C[C@@H](CCNC(=O)CCn1cc[nH+]c1)[NH2+][C@H]1CCNC1=O ZINC001484996571 917978176 /nfs/dbraw/zinc/97/81/76/917978176.db2.gz SWPPIFCVXKBOQA-RYUDHWBXSA-N 2 2 293.371 -0.354 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)NC1CC(C[NH2+]CCO)C1 ZINC001485093881 917995461 /nfs/dbraw/zinc/99/54/61/917995461.db2.gz DUIVPWBIPFZGFE-UHFFFAOYSA-N 2 2 266.345 -0.181 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)NC1CC(C[NH2+]CCO)C1 ZINC001485093881 917995471 /nfs/dbraw/zinc/99/54/71/917995471.db2.gz DUIVPWBIPFZGFE-UHFFFAOYSA-N 2 2 266.345 -0.181 20 0 CBADLP C[C@@H]([NH2+]CCO)[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001485213669 918027661 /nfs/dbraw/zinc/02/76/61/918027661.db2.gz FSCNUUTUOCYRHT-ZJUUUORDSA-N 2 2 254.334 -0.562 20 0 CBADLP C[C@H](NC(=O)Cc1c[nH+]cn1C)[C@H](C)[NH2+]CCO ZINC001485213665 918029219 /nfs/dbraw/zinc/02/92/19/918029219.db2.gz FSCNUUTUOCYRHT-UWVGGRQHSA-N 2 2 254.334 -0.562 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)[C@@H](C)[NH2+]CC(N)=O ZINC001485219779 918034181 /nfs/dbraw/zinc/03/41/81/918034181.db2.gz ZTDMCOFQSIPSIA-HTQZYQBOSA-N 2 2 267.333 -0.771 20 0 CBADLP C[C@H](O)C[N@H+](C)[C@@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001485355573 918088417 /nfs/dbraw/zinc/08/84/17/918088417.db2.gz GGEPJXPBIVNHFF-UWVGGRQHSA-N 2 2 254.334 -0.231 20 0 CBADLP C[C@H](O)C[N@@H+](C)[C@@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001485355573 918088438 /nfs/dbraw/zinc/08/84/38/918088438.db2.gz GGEPJXPBIVNHFF-UWVGGRQHSA-N 2 2 254.334 -0.231 20 0 CBADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[N@H+](C)[C@H]1CCNC1=O ZINC001485394457 918109990 /nfs/dbraw/zinc/10/99/90/918109990.db2.gz GNQGDQRGLYZHDC-MNOVXSKESA-N 2 2 279.344 -0.792 20 0 CBADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[N@@H+](C)[C@H]1CCNC1=O ZINC001485394457 918110010 /nfs/dbraw/zinc/11/00/10/918110010.db2.gz GNQGDQRGLYZHDC-MNOVXSKESA-N 2 2 279.344 -0.792 20 0 CBADLP CCC[N@H+](C)CCC(=O)N[C@@H](C)C1C[NH+](CC(=O)NC)C1 ZINC001485532690 918141066 /nfs/dbraw/zinc/14/10/66/918141066.db2.gz IQXJUDHGRNECNJ-LBPRGKRZSA-N 2 2 298.431 -0.099 20 0 CBADLP CCC[N@@H+](C)CCC(=O)N[C@@H](C)C1C[NH+](CC(=O)NC)C1 ZINC001485532690 918141076 /nfs/dbraw/zinc/14/10/76/918141076.db2.gz IQXJUDHGRNECNJ-LBPRGKRZSA-N 2 2 298.431 -0.099 20 0 CBADLP C[C@@H]([NH2+]CCCO)[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001485647836 918163738 /nfs/dbraw/zinc/16/37/38/918163738.db2.gz UYODWDKOWJUGFQ-NEPJUHHUSA-N 2 2 296.371 -0.460 20 0 CBADLP C[C@H]([NH2+]CCCO)[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001485647838 918164040 /nfs/dbraw/zinc/16/40/40/918164040.db2.gz UYODWDKOWJUGFQ-RYUDHWBXSA-N 2 2 296.371 -0.460 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@H](C[NH2+]CCO)C1 ZINC001485704687 918170823 /nfs/dbraw/zinc/17/08/23/918170823.db2.gz XXHKJDQIMAAHDR-XYPYZODXSA-N 2 2 266.345 -0.263 20 0 CBADLP C[C@@H]([NH2+]C[C@@H](C1CC1)N(C)C(=O)Cc1[nH]cc[nH+]1)C(N)=O ZINC001485830192 918197928 /nfs/dbraw/zinc/19/79/28/918197928.db2.gz AUPYPTOOLDMGTH-KOLCDFICSA-N 2 2 293.371 -0.347 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@@H](C)CN(C)C(=O)CCn1cc[nH+]c1 ZINC001485905876 918220680 /nfs/dbraw/zinc/22/06/80/918220680.db2.gz LJOSFLLNDWGBAR-RYUDHWBXSA-N 2 2 295.387 -0.156 20 0 CBADLP Cc1nc(C[NH2+][C@H](CO)CNC(=O)CC[NH+](C)C)c(C)o1 ZINC001486030154 918324908 /nfs/dbraw/zinc/32/49/08/918324908.db2.gz HFSODIDZCHJNGE-LBPRGKRZSA-N 2 2 298.387 -0.190 20 0 CBADLP CCC[NH2+][C@@H](CO)CNC(=O)Cc1c[nH+]cn1C ZINC001486053310 918350858 /nfs/dbraw/zinc/35/08/58/918350858.db2.gz YJZODZFETOFRDL-SNVBAGLBSA-N 2 2 254.334 -0.561 20 0 CBADLP COCC[NH2+]C[C@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001486300589 918417487 /nfs/dbraw/zinc/41/74/87/918417487.db2.gz FNOWLUXCAKDZGO-NSHDSACASA-N 2 2 270.333 -0.993 20 0 CBADLP CN(C[C@H](O)C[NH2+]CC1CC1)C(=O)Cc1[nH]cc[nH+]1 ZINC001486307930 918419558 /nfs/dbraw/zinc/41/95/58/918419558.db2.gz VRCDYRNQMVQPHO-LLVKDONJSA-N 2 2 266.345 -0.229 20 0 CBADLP C[C@H](O)C[NH2+]C[C@@H](O)CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001486311205 918422783 /nfs/dbraw/zinc/42/27/83/918422783.db2.gz GAXRKOXGWKURIU-WDEREUQCSA-N 2 2 298.387 -0.523 20 0 CBADLP C[C@H](O)C[NH2+]C[C@H](O)CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001486311204 918423475 /nfs/dbraw/zinc/42/34/75/918423475.db2.gz GAXRKOXGWKURIU-QWRGUYRKSA-N 2 2 298.387 -0.523 20 0 CBADLP CCC[NH2+]C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001486320693 918427092 /nfs/dbraw/zinc/42/70/92/918427092.db2.gz WCQCSOXNYWCMPM-LLVKDONJSA-N 2 2 254.334 -0.298 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)CC[NH+](C)C ZINC001488651675 918745910 /nfs/dbraw/zinc/74/59/10/918745910.db2.gz AXHVDLBNFGQFQI-RYUDHWBXSA-N 2 2 284.404 -0.395 20 0 CBADLP CNC(=O)[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)CC[NH+](C)C ZINC001488651675 918745921 /nfs/dbraw/zinc/74/59/21/918745921.db2.gz AXHVDLBNFGQFQI-RYUDHWBXSA-N 2 2 284.404 -0.395 20 0 CBADLP CCC[N@H+](C)CC(=O)N(C)C[C@@H]1CC[NH+]1[C@@H](C)C(=O)NC ZINC001488687653 918753619 /nfs/dbraw/zinc/75/36/19/918753619.db2.gz UKZBVMICYZSXAG-STQMWFEESA-N 2 2 298.431 -0.005 20 0 CBADLP CCC[N@@H+](C)CC(=O)N(C)C[C@@H]1CC[NH+]1[C@@H](C)C(=O)NC ZINC001488687653 918753637 /nfs/dbraw/zinc/75/36/37/918753637.db2.gz UKZBVMICYZSXAG-STQMWFEESA-N 2 2 298.431 -0.005 20 0 CBADLP CCC[NH+](C)CC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)NC ZINC001488687653 918753659 /nfs/dbraw/zinc/75/36/59/918753659.db2.gz UKZBVMICYZSXAG-STQMWFEESA-N 2 2 298.431 -0.005 20 0 CBADLP CCC[NH+](C)CC(=O)N(C)C[C@@H]1CC[N@H+]1[C@@H](C)C(=O)NC ZINC001488687653 918753670 /nfs/dbraw/zinc/75/36/70/918753670.db2.gz UKZBVMICYZSXAG-STQMWFEESA-N 2 2 298.431 -0.005 20 0 CBADLP C[C@@H]([NH2+][C@@H]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1)C(N)=O ZINC001488951640 918782350 /nfs/dbraw/zinc/78/23/50/918782350.db2.gz CMYJGZZVNGXDKD-OUAUKWLOSA-N 2 2 293.371 -0.300 20 0 CBADLP CC[N@H+](CCO)CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001490351811 918894258 /nfs/dbraw/zinc/89/42/58/918894258.db2.gz OXICMEOCCWGTKX-UHFFFAOYSA-N 2 2 254.334 -0.227 20 0 CBADLP CC[N@@H+](CCO)CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001490351811 918894278 /nfs/dbraw/zinc/89/42/78/918894278.db2.gz OXICMEOCCWGTKX-UHFFFAOYSA-N 2 2 254.334 -0.227 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH+]1CCN(CCO)CC1 ZINC001490467086 918908771 /nfs/dbraw/zinc/90/87/71/918908771.db2.gz VVLYIJLAZIKLED-CQSZACIVSA-N 2 2 298.431 -0.803 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)NCCC[NH+]1CCN(CCO)CC1 ZINC001490467086 918908788 /nfs/dbraw/zinc/90/87/88/918908788.db2.gz VVLYIJLAZIKLED-CQSZACIVSA-N 2 2 298.431 -0.803 20 0 CBADLP C[NH+](C)CCC(=O)NCC[NH+]1CCN(CCF)CC1 ZINC001490501049 918919445 /nfs/dbraw/zinc/91/94/45/918919445.db2.gz MCGSRSPWKGGCBS-UHFFFAOYSA-N 2 2 274.384 -0.359 20 0 CBADLP C[C@@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]Cc1cnnn1C ZINC001491543135 919198093 /nfs/dbraw/zinc/19/80/93/919198093.db2.gz NVTQQOPSCJBTGR-NSHDSACASA-N 2 2 291.359 -0.304 20 0 CBADLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]CC(=O)N1CCC1 ZINC001491635778 919239706 /nfs/dbraw/zinc/23/97/06/919239706.db2.gz BJFAPMKWUGLUHR-NSHDSACASA-N 2 2 293.371 -0.711 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)[NH2+]CCCO ZINC001491652006 919242679 /nfs/dbraw/zinc/24/26/79/919242679.db2.gz USFODUSTOUSDEK-SECBINFHSA-N 2 2 254.334 -0.263 20 0 CBADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CCNC(=O)C1CC1 ZINC001491694429 919255839 /nfs/dbraw/zinc/25/58/39/919255839.db2.gz QVEURYRMXWKKBU-NSHDSACASA-N 2 2 293.371 -0.496 20 0 CBADLP C[C@@H]([NH2+][C@@H](C)CNC(=O)Cn1cc[nH+]c1)C(=O)N(C)C ZINC001491695138 919257931 /nfs/dbraw/zinc/25/79/31/919257931.db2.gz ZHGCWHPWHHETBU-WDEREUQCSA-N 2 2 281.360 -0.546 20 0 CBADLP C[C@H]([NH2+]C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1)C(N)=O ZINC001491844898 919289159 /nfs/dbraw/zinc/28/91/59/919289159.db2.gz XQHMWDHYPTVKQM-VHSXEESVSA-N 2 2 279.344 -0.736 20 0 CBADLP CNC(=O)C[NH2+][C@H](C)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001492091766 919322230 /nfs/dbraw/zinc/32/22/30/919322230.db2.gz YJATXJSZZNZZCO-SECBINFHSA-N 2 2 267.333 -0.817 20 0 CBADLP C[C@@H](CCNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@@H]1CCNC1=O ZINC001492091728 919323075 /nfs/dbraw/zinc/32/30/75/919323075.db2.gz XHYJVNBOCVDXHW-GXSJLCMTSA-N 2 2 279.344 -0.675 20 0 CBADLP CC[C@@H]([NH2+][C@H](C)CCNC(=O)Cc1c[nH+]cn1C)C(N)=O ZINC001492110775 919325202 /nfs/dbraw/zinc/32/52/02/919325202.db2.gz QJZPQEHJAZKKBO-ZYHUDNBSSA-N 2 2 295.387 -0.289 20 0 CBADLP C[N@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)Cc1ccccn1 ZINC001492220184 919363183 /nfs/dbraw/zinc/36/31/83/919363183.db2.gz FIYKZJYOMJKDKV-AWEZNQCLSA-N 2 2 292.383 -0.040 20 0 CBADLP C[N@@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)Cc1ccccn1 ZINC001492220184 919363199 /nfs/dbraw/zinc/36/31/99/919363199.db2.gz FIYKZJYOMJKDKV-AWEZNQCLSA-N 2 2 292.383 -0.040 20 0 CBADLP C[NH+](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)Cc1ccccn1 ZINC001492220184 919363220 /nfs/dbraw/zinc/36/32/20/919363220.db2.gz FIYKZJYOMJKDKV-AWEZNQCLSA-N 2 2 292.383 -0.040 20 0 CBADLP C[NH+](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)Cc1ccccn1 ZINC001492220184 919363231 /nfs/dbraw/zinc/36/32/31/919363231.db2.gz FIYKZJYOMJKDKV-AWEZNQCLSA-N 2 2 292.383 -0.040 20 0 CBADLP C[C@H](O)C[N@H+](C)CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001492309054 919389688 /nfs/dbraw/zinc/38/96/88/919389688.db2.gz LVSYHDQOWMMAPY-NWDGAFQWSA-N 2 2 280.372 -0.126 20 0 CBADLP C[C@H](O)C[N@@H+](C)CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001492309054 919389706 /nfs/dbraw/zinc/38/97/06/919389706.db2.gz LVSYHDQOWMMAPY-NWDGAFQWSA-N 2 2 280.372 -0.126 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+](C)CCNC(=O)Cn1c[nH+]cc1C ZINC001492343078 919399439 /nfs/dbraw/zinc/39/94/39/919399439.db2.gz ZVKZZVURGRYKII-NSHDSACASA-N 2 2 281.360 -0.497 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)Cn1c[nH+]cc1C ZINC001492343078 919399461 /nfs/dbraw/zinc/39/94/61/919399461.db2.gz ZVKZZVURGRYKII-NSHDSACASA-N 2 2 281.360 -0.497 20 0 CBADLP C[NH+](C)CCC(=O)NCC[N@H+](C)CC(=O)N1CCCC1 ZINC001492401601 919408905 /nfs/dbraw/zinc/40/89/05/919408905.db2.gz CSJLUJYAFHIECK-UHFFFAOYSA-N 2 2 284.404 -0.392 20 0 CBADLP C[NH+](C)CCC(=O)NCC[N@@H+](C)CC(=O)N1CCCC1 ZINC001492401601 919408915 /nfs/dbraw/zinc/40/89/15/919408915.db2.gz CSJLUJYAFHIECK-UHFFFAOYSA-N 2 2 284.404 -0.392 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)Cn1cc[nH+]c1C ZINC001492857983 919440371 /nfs/dbraw/zinc/44/03/71/919440371.db2.gz UBHIICYYKXVUFH-SNVBAGLBSA-N 2 2 281.360 -0.626 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)Cn1cc[nH+]c1C ZINC001492857983 919440379 /nfs/dbraw/zinc/44/03/79/919440379.db2.gz UBHIICYYKXVUFH-SNVBAGLBSA-N 2 2 281.360 -0.626 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001492853480 919440976 /nfs/dbraw/zinc/44/09/76/919440976.db2.gz JEBANETUBZKMSC-LBPRGKRZSA-N 2 2 284.404 -0.489 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001492853480 919440984 /nfs/dbraw/zinc/44/09/84/919440984.db2.gz JEBANETUBZKMSC-LBPRGKRZSA-N 2 2 284.404 -0.489 20 0 CBADLP CC(C)NC(=O)C[NH+](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001492853480 919440997 /nfs/dbraw/zinc/44/09/97/919440997.db2.gz JEBANETUBZKMSC-LBPRGKRZSA-N 2 2 284.404 -0.489 20 0 CBADLP CC(C)NC(=O)C[NH+](C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001492853480 919441009 /nfs/dbraw/zinc/44/10/09/919441009.db2.gz JEBANETUBZKMSC-LBPRGKRZSA-N 2 2 284.404 -0.489 20 0 CBADLP CO[C@@H](C)C[N@H+](C)CCNC(=O)Cn1cc[nH+]c1 ZINC001492893698 919443211 /nfs/dbraw/zinc/44/32/11/919443211.db2.gz APHHVXKXRLKNEL-NSHDSACASA-N 2 2 254.334 -0.034 20 0 CBADLP CO[C@@H](C)C[N@@H+](C)CCNC(=O)Cn1cc[nH+]c1 ZINC001492893698 919443224 /nfs/dbraw/zinc/44/32/24/919443224.db2.gz APHHVXKXRLKNEL-NSHDSACASA-N 2 2 254.334 -0.034 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+](CC)CCNC(=O)Cc1c[nH+]cn1C ZINC001493043018 919475293 /nfs/dbraw/zinc/47/52/93/919475293.db2.gz LQNINECWPFFRQE-LBPRGKRZSA-N 2 2 295.387 -0.335 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+](CC)CCNC(=O)Cc1c[nH+]cn1C ZINC001493043018 919475303 /nfs/dbraw/zinc/47/53/03/919475303.db2.gz LQNINECWPFFRQE-LBPRGKRZSA-N 2 2 295.387 -0.335 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001493240357 919509601 /nfs/dbraw/zinc/50/96/01/919509601.db2.gz KDAGNZYGYZHZMX-JQWIXIFHSA-N 2 2 293.371 -0.346 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+]1CC[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001493240357 919509615 /nfs/dbraw/zinc/50/96/15/919509615.db2.gz KDAGNZYGYZHZMX-JQWIXIFHSA-N 2 2 293.371 -0.346 20 0 CBADLP CN(CC[NH2+][C@H]1CCN(C)C1=O)C(=O)CCc1c[nH]c[nH+]1 ZINC001493570325 919581711 /nfs/dbraw/zinc/58/17/11/919581711.db2.gz KKPSONLBWKXTDH-LBPRGKRZSA-N 2 2 293.371 -0.379 20 0 CBADLP CN(CC[NH2+][C@H]1CCN(C)C1=O)C(=O)CCc1c[nH+]c[nH]1 ZINC001493570325 919581724 /nfs/dbraw/zinc/58/17/24/919581724.db2.gz KKPSONLBWKXTDH-LBPRGKRZSA-N 2 2 293.371 -0.379 20 0 CBADLP CC[C@H](C(=O)N(C)CC[NH2+]Cc1cnon1)[NH+](C)C ZINC001493588929 919585318 /nfs/dbraw/zinc/58/53/18/919585318.db2.gz BZKGWGXDSHBYNN-LLVKDONJSA-N 2 2 269.349 -0.042 20 0 CBADLP C[C@H](O)C[NH2+]CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001493585392 919586634 /nfs/dbraw/zinc/58/66/34/919586634.db2.gz UGUUWDOLDGDRFN-HBNTYKKESA-N 2 2 266.345 -0.058 20 0 CBADLP C[C@H](O)C[NH2+]CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001493585392 919586645 /nfs/dbraw/zinc/58/66/45/919586645.db2.gz UGUUWDOLDGDRFN-HBNTYKKESA-N 2 2 266.345 -0.058 20 0 CBADLP CN(CC[NH2+]Cc1cnon1)C(=O)C1(C[NH+](C)C)CC1 ZINC001493676714 919600216 /nfs/dbraw/zinc/60/02/16/919600216.db2.gz NQMQXYNSHPJYMZ-UHFFFAOYSA-N 2 2 281.360 -0.041 20 0 CBADLP CNC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001493699631 919609168 /nfs/dbraw/zinc/60/91/68/919609168.db2.gz NPBPBNJCYFMMCO-GHMZBOCLSA-N 2 2 293.371 -0.682 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CC[NH2+][C@H]1CCNC1=O ZINC001493727418 919611198 /nfs/dbraw/zinc/61/11/98/919611198.db2.gz XVCFUEVMHSGVOI-PWSUYJOCSA-N 2 2 293.371 -0.475 20 0 CBADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CC[NH2+][C@H]1CCNC1=O ZINC001493727418 919611209 /nfs/dbraw/zinc/61/12/09/919611209.db2.gz XVCFUEVMHSGVOI-PWSUYJOCSA-N 2 2 293.371 -0.475 20 0 CBADLP CCNC(=O)C[NH+]1CC(CNC(=O)C[NH+]2CCCC2)C1 ZINC001494624989 919751832 /nfs/dbraw/zinc/75/18/32/919751832.db2.gz ICSYLWGCIPGFLH-UHFFFAOYSA-N 2 2 282.388 -0.734 20 0 CBADLP CCN(C(=O)Cn1cc[nH+]c1)[C@H]1CC[N@H+](CCO)C1 ZINC001494925703 919815005 /nfs/dbraw/zinc/81/50/05/919815005.db2.gz PKIFWGXTRPYFBW-LBPRGKRZSA-N 2 2 266.345 -0.202 20 0 CBADLP CCN(C(=O)Cn1cc[nH+]c1)[C@H]1CC[N@@H+](CCO)C1 ZINC001494925703 919815014 /nfs/dbraw/zinc/81/50/14/919815014.db2.gz PKIFWGXTRPYFBW-LBPRGKRZSA-N 2 2 266.345 -0.202 20 0 CBADLP COCC[NH2+]C[C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001495769784 919941429 /nfs/dbraw/zinc/94/14/29/919941429.db2.gz FVENFSPUVBXULX-SNVBAGLBSA-N 2 2 254.334 -0.060 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)C[NH2+][C@@H](C)C(N)=O ZINC001495798527 919946122 /nfs/dbraw/zinc/94/61/22/919946122.db2.gz XWUHTAHDVSWSGI-SCZZXKLOSA-N 2 2 281.360 -0.524 20 0 CBADLP CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001495796806 919946289 /nfs/dbraw/zinc/94/62/89/919946289.db2.gz NDHBJZMCTUMDNO-JTQLQIEISA-N 2 2 295.387 -0.261 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)C[NH2+][C@H](C)C(N)=O ZINC001495798520 919946635 /nfs/dbraw/zinc/94/66/35/919946635.db2.gz XWUHTAHDVSWSGI-PSASIEDQSA-N 2 2 281.360 -0.524 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C(C)C ZINC001496607904 920094125 /nfs/dbraw/zinc/09/41/25/920094125.db2.gz ODPQNTCJXLKETE-JQWIXIFHSA-N 2 2 295.387 -0.183 20 0 CBADLP CC(C)[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]C[C@H](C)O ZINC001496641155 920100923 /nfs/dbraw/zinc/10/09/23/920100923.db2.gz HCUTYWYFRPMPNX-RYUDHWBXSA-N 2 2 268.361 -0.006 20 0 CBADLP CN(CC[N@H+](C)CCCO)C(=O)Cn1cc[nH+]c1 ZINC001496847381 920136524 /nfs/dbraw/zinc/13/65/24/920136524.db2.gz GSHATNCNDYOYNH-UHFFFAOYSA-N 2 2 254.334 -0.344 20 0 CBADLP CN(CC[N@@H+](C)CCCO)C(=O)Cn1cc[nH+]c1 ZINC001496847381 920136530 /nfs/dbraw/zinc/13/65/30/920136530.db2.gz GSHATNCNDYOYNH-UHFFFAOYSA-N 2 2 254.334 -0.344 20 0 CBADLP Cc1cc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CCC[N@H+]2C)no1 ZINC001496955023 920174350 /nfs/dbraw/zinc/17/43/50/920174350.db2.gz LPMIWGLWONBVKM-STQMWFEESA-N 2 2 296.371 -0.356 20 0 CBADLP Cc1cc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CCC[N@@H+]2C)no1 ZINC001496955023 920174358 /nfs/dbraw/zinc/17/43/58/920174358.db2.gz LPMIWGLWONBVKM-STQMWFEESA-N 2 2 296.371 -0.356 20 0 CBADLP C[NH+](C)C1(C(=O)NC[C@@H](O)C[NH2+]Cc2cnon2)CCC1 ZINC001496996254 920198228 /nfs/dbraw/zinc/19/82/28/920198228.db2.gz NNZADWQWGKHZHO-NSHDSACASA-N 2 2 297.359 -0.879 20 0 CBADLP O=C(CCn1cc[nH+]c1)NC[C@@H](O)C[NH2+]CCF ZINC001497027360 920212930 /nfs/dbraw/zinc/21/29/30/920212930.db2.gz DIPPXVWMZYFBJE-JTQLQIEISA-N 2 2 258.297 -0.691 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC[C@@H](O)C[NH2+]CC1CC1 ZINC001497091443 920246825 /nfs/dbraw/zinc/24/68/25/920246825.db2.gz HWFJBEFJHSQYMI-LBPRGKRZSA-N 2 2 266.345 -0.561 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@@H](O)C[NH2+]C/C=C/Cl ZINC001497127424 920255553 /nfs/dbraw/zinc/25/55/53/920255553.db2.gz UBGWEONGMBOIAB-YOLVWIGZSA-N 2 2 272.736 -0.298 20 0 CBADLP CNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001497207446 920272091 /nfs/dbraw/zinc/27/20/91/920272091.db2.gz IDWSRXIVYJWTPY-HBNTYKKESA-N 2 2 293.371 -0.256 20 0 CBADLP CNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001497207446 920272105 /nfs/dbraw/zinc/27/21/05/920272105.db2.gz IDWSRXIVYJWTPY-HBNTYKKESA-N 2 2 293.371 -0.256 20 0 CBADLP O=C(NC/C=C/C[NH2+]CCO)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001497601716 920349363 /nfs/dbraw/zinc/34/93/63/920349363.db2.gz MASWNFDRGMRRTR-COUIAZAYSA-N 2 2 264.329 -0.233 20 0 CBADLP O=C(NC/C=C/C[NH2+]CCO)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001497601716 920349377 /nfs/dbraw/zinc/34/93/77/920349377.db2.gz MASWNFDRGMRRTR-COUIAZAYSA-N 2 2 264.329 -0.233 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)NC/C=C/C[NH2+]CC(N)=O ZINC001497639767 920358887 /nfs/dbraw/zinc/35/88/87/920358887.db2.gz FPYFAYGACKMWQR-NSCUHMNNSA-N 2 2 279.344 -0.900 20 0 CBADLP CC[C@@H]([NH2+]C/C=C\CNC(=O)Cc1[nH]cc[nH+]1)C(N)=O ZINC001497716371 920376514 /nfs/dbraw/zinc/37/65/14/920376514.db2.gz XWZWCFOEZIVUIY-UMBAGQNISA-N 2 2 279.344 -0.522 20 0 CBADLP C[C@H](C[NH2+][C@@H]1CCN(C)C1=O)NC(=O)Cc1c[nH+]cn1C ZINC001497962723 920430178 /nfs/dbraw/zinc/43/01/78/920430178.db2.gz LEBKTAPNJHGRAT-ZYHUDNBSSA-N 2 2 293.371 -0.712 20 0 CBADLP CC[C@@H]([NH2+]C[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C)C(N)=O ZINC001497971364 920431124 /nfs/dbraw/zinc/43/11/24/920431124.db2.gz QVGDWYZYCNYOBO-PSASIEDQSA-N 2 2 281.360 -0.381 20 0 CBADLP C[C@@H](C[NH2+]CCO)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001498044712 920460222 /nfs/dbraw/zinc/46/02/22/920460222.db2.gz OPRONETXFSIXDQ-GWCFXTLKSA-N 2 2 295.387 -0.123 20 0 CBADLP C[C@@H](C[NH2+]CCO)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001498044712 920460230 /nfs/dbraw/zinc/46/02/30/920460230.db2.gz OPRONETXFSIXDQ-GWCFXTLKSA-N 2 2 295.387 -0.123 20 0 CBADLP C[C@@H]([NH2+]C[C@H](C)NC(=O)CCc1c[nH]c[nH+]1)C(N)=O ZINC001498051940 920463522 /nfs/dbraw/zinc/46/35/22/920463522.db2.gz BBRUKTDGVMJHLB-DTWKUNHWSA-N 2 2 267.333 -0.690 20 0 CBADLP C[C@@H]([NH2+]C[C@H](C)NC(=O)CCc1c[nH+]c[nH]1)C(N)=O ZINC001498051940 920463530 /nfs/dbraw/zinc/46/35/30/920463530.db2.gz BBRUKTDGVMJHLB-DTWKUNHWSA-N 2 2 267.333 -0.690 20 0 CBADLP CC[C@@H]([NH2+]C[C@H](C)NC(=O)CCc1[nH+]ccn1C)C(N)=O ZINC001498076535 920470563 /nfs/dbraw/zinc/47/05/63/920470563.db2.gz NONSKMOFBLYZHF-WDEREUQCSA-N 2 2 295.387 -0.289 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001498080473 920471516 /nfs/dbraw/zinc/47/15/16/920471516.db2.gz AAJYDDVBKBRXRR-QWRGUYRKSA-N 2 2 281.360 -0.498 20 0 CBADLP CCCNC(=O)C[NH2+]C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001498122974 920488036 /nfs/dbraw/zinc/48/80/36/920488036.db2.gz UNBRSMSFRPTLCJ-JTQLQIEISA-N 2 2 281.360 -0.427 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001498203002 920516453 /nfs/dbraw/zinc/51/64/53/920516453.db2.gz MLCZTKGQACGZAG-RYUDHWBXSA-N 2 2 295.387 -0.108 20 0 CBADLP C[C@@H](O)C[N@H+](C)C[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001498393300 920574058 /nfs/dbraw/zinc/57/40/58/920574058.db2.gz SVLOOIHUZNSEFA-NXEZZACHSA-N 2 2 254.334 -0.231 20 0 CBADLP C[C@@H](O)C[N@@H+](C)C[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001498393300 920574067 /nfs/dbraw/zinc/57/40/67/920574067.db2.gz SVLOOIHUZNSEFA-NXEZZACHSA-N 2 2 254.334 -0.231 20 0 CBADLP C[C@H](C[N@@H+](C)CCn1cncn1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001498416972 920576743 /nfs/dbraw/zinc/57/67/43/920576743.db2.gz ZNQZKSAGRUWEAO-LLVKDONJSA-N 2 2 291.359 -0.320 20 0 CBADLP CNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001498416325 920580326 /nfs/dbraw/zinc/58/03/26/920580326.db2.gz SGVRLHIYVQSGRC-ZDUSSCGKSA-N 2 2 298.431 -0.099 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+](C)C[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001498424553 920585527 /nfs/dbraw/zinc/58/55/27/920585527.db2.gz GLHPIFBPGMWUMJ-WDEREUQCSA-N 2 2 295.387 -0.466 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+](C)C[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001498424553 920585538 /nfs/dbraw/zinc/58/55/38/920585538.db2.gz GLHPIFBPGMWUMJ-WDEREUQCSA-N 2 2 295.387 -0.466 20 0 CBADLP C[C@H](O)C[NH2+]CCCN(C)C(=O)Cc1c[nH+]cn1C ZINC001498636326 920618961 /nfs/dbraw/zinc/61/89/61/920618961.db2.gz AJBVJWQTAOSDFT-NSHDSACASA-N 2 2 268.361 -0.219 20 0 CBADLP CN(C)C(=O)C[N@@H+]1CC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001498992193 920682281 /nfs/dbraw/zinc/68/22/81/920682281.db2.gz WEXLALBNYMPAPO-CYBMUJFWSA-N 2 2 296.415 -0.251 20 0 CBADLP CN(C)C(=O)C[N@H+]1CC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001498992193 920682293 /nfs/dbraw/zinc/68/22/93/920682293.db2.gz WEXLALBNYMPAPO-CYBMUJFWSA-N 2 2 296.415 -0.251 20 0 CBADLP CN(C)C(=O)C[NH+]1CC[C@@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001498992193 920682301 /nfs/dbraw/zinc/68/23/01/920682301.db2.gz WEXLALBNYMPAPO-CYBMUJFWSA-N 2 2 296.415 -0.251 20 0 CBADLP CN(C)C(=O)C[NH+]1CC[C@@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001498992193 920682306 /nfs/dbraw/zinc/68/23/06/920682306.db2.gz WEXLALBNYMPAPO-CYBMUJFWSA-N 2 2 296.415 -0.251 20 0 CBADLP Cn1ncc(C[NH2+]C2(CNC(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1 ZINC001499184406 920717614 /nfs/dbraw/zinc/71/76/14/920717614.db2.gz XHIZAPPNIKREKE-LBPRGKRZSA-N 2 2 292.387 -0.352 20 0 CBADLP Cn1ncc(C[NH2+]C2(CNC(=O)[C@@H]3CCC[N@H+]3C)CC2)n1 ZINC001499184406 920717625 /nfs/dbraw/zinc/71/76/25/920717625.db2.gz XHIZAPPNIKREKE-LBPRGKRZSA-N 2 2 292.387 -0.352 20 0 CBADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1([NH2+]CCO)CC1 ZINC001499352095 920740582 /nfs/dbraw/zinc/74/05/82/920740582.db2.gz UQENMXKRQHAWLO-GHMZBOCLSA-N 2 2 278.356 -0.246 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NCC1([NH2+][C@@H]2CCNC2=O)CC1 ZINC001499420432 920747353 /nfs/dbraw/zinc/74/73/53/920747353.db2.gz DWMATSHYMZZLGU-LLVKDONJSA-N 2 2 291.355 -0.911 20 0 CBADLP CN(C(=O)C1([NH+](C)C)CCC1)C1C[NH+](CCO)C1 ZINC001499685417 920764391 /nfs/dbraw/zinc/76/43/91/920764391.db2.gz FWQGZPDCQCQDNE-UHFFFAOYSA-N 2 2 255.362 -0.394 20 0 CBADLP CC[C@@H]([NH2+]C[C@@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1)C(N)=O ZINC001499935604 920790530 /nfs/dbraw/zinc/79/05/30/920790530.db2.gz IFDIKQSRZGIOHW-WDEREUQCSA-N 2 2 293.371 -0.203 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)NC[C@@]1(O)CC[N@@H+](CCCO)C1 ZINC001500684056 920856080 /nfs/dbraw/zinc/85/60/80/920856080.db2.gz RAJJFVBBLIBMRJ-AWEZNQCLSA-N 2 2 296.371 -0.722 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)NC[C@@]1(O)CC[N@H+](CCCO)C1 ZINC001500684056 920856091 /nfs/dbraw/zinc/85/60/91/920856091.db2.gz RAJJFVBBLIBMRJ-AWEZNQCLSA-N 2 2 296.371 -0.722 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)NC[C@@]1(O)CC[N@@H+](CCCO)C1 ZINC001500684056 920856101 /nfs/dbraw/zinc/85/61/01/920856101.db2.gz RAJJFVBBLIBMRJ-AWEZNQCLSA-N 2 2 296.371 -0.722 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)NC[C@@]1(O)CC[N@H+](CCCO)C1 ZINC001500684056 920856114 /nfs/dbraw/zinc/85/61/14/920856114.db2.gz RAJJFVBBLIBMRJ-AWEZNQCLSA-N 2 2 296.371 -0.722 20 0 CBADLP C[C@@H](CC(=O)NC[C@@]1(O)CC[N@H+](CCO)C1)n1cc[nH+]c1 ZINC001500733577 920870873 /nfs/dbraw/zinc/87/08/73/920870873.db2.gz XWPDTADVMFOIEA-JSGCOSHPSA-N 2 2 296.371 -0.621 20 0 CBADLP C[C@@H](CC(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1)n1cc[nH+]c1 ZINC001500733577 920870879 /nfs/dbraw/zinc/87/08/79/920870879.db2.gz XWPDTADVMFOIEA-JSGCOSHPSA-N 2 2 296.371 -0.621 20 0 CBADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001500834831 920902233 /nfs/dbraw/zinc/90/22/33/920902233.db2.gz XJAZHRZVSYIXQI-ZDUSSCGKSA-N 2 2 299.415 -0.596 20 0 CBADLP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001500834831 920902245 /nfs/dbraw/zinc/90/22/45/920902245.db2.gz XJAZHRZVSYIXQI-ZDUSSCGKSA-N 2 2 299.415 -0.596 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H](CC[NH2+]CCO)C1 ZINC001501637258 921048314 /nfs/dbraw/zinc/04/83/14/921048314.db2.gz FTMKVPWNMUJVTF-GFCCVEGCSA-N 2 2 280.372 -0.217 20 0 CBADLP C[C@@H](O)C[N@@H+]1CCOC[C@H]1CNC(=O)CC[NH+](C)C ZINC001501821899 921063992 /nfs/dbraw/zinc/06/39/92/921063992.db2.gz LKWRVDNHMDQCQT-VXGBXAGGSA-N 2 2 273.377 -0.864 20 0 CBADLP C[C@@H](O)C[N@H+]1CCOC[C@H]1CNC(=O)CC[NH+](C)C ZINC001501821899 921064002 /nfs/dbraw/zinc/06/40/02/921064002.db2.gz LKWRVDNHMDQCQT-VXGBXAGGSA-N 2 2 273.377 -0.864 20 0 CBADLP C[NH+](C)CCC(=O)NC/C=C\CNC(=O)Cc1[nH]cc[nH+]1 ZINC001501969203 921076462 /nfs/dbraw/zinc/07/64/62/921076462.db2.gz CRRDKGAQMMWDEY-ARJAWSKDSA-N 2 2 293.371 -0.308 20 0 CBADLP COC[C@@H](C)[NH2+]C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001507569919 921868227 /nfs/dbraw/zinc/86/82/27/921868227.db2.gz XZPDWJMTXPGEOI-NEPJUHHUSA-N 2 2 284.360 -0.673 20 0 CBADLP CC[N@@H+]1CC[C@@H]1CNC(=O)C[NH+]1CCC(CO)CC1 ZINC001514567086 922204773 /nfs/dbraw/zinc/20/47/73/922204773.db2.gz VPBINBUGPFPRMV-CYBMUJFWSA-N 2 2 269.389 -0.099 20 0 CBADLP CC[N@H+]1CC[C@@H]1CNC(=O)C[NH+]1CCC(CO)CC1 ZINC001514567086 922204778 /nfs/dbraw/zinc/20/47/78/922204778.db2.gz VPBINBUGPFPRMV-CYBMUJFWSA-N 2 2 269.389 -0.099 20 0 CBADLP CC[N@@H+]1CC[C@H]1CNC(=O)C[NH+]1CCC(CO)CC1 ZINC001514567087 922206984 /nfs/dbraw/zinc/20/69/84/922206984.db2.gz VPBINBUGPFPRMV-ZDUSSCGKSA-N 2 2 269.389 -0.099 20 0 CBADLP CC[N@H+]1CC[C@H]1CNC(=O)C[NH+]1CCC(CO)CC1 ZINC001514567087 922207000 /nfs/dbraw/zinc/20/70/00/922207000.db2.gz VPBINBUGPFPRMV-ZDUSSCGKSA-N 2 2 269.389 -0.099 20 0 CBADLP [NH3+]Cc1ccccc1NC(=O)CN1CC[NH2+]CC1=O ZINC001514694163 922212667 /nfs/dbraw/zinc/21/26/67/922212667.db2.gz CGUIRBCJJJALLG-UHFFFAOYSA-N 2 2 262.313 -0.484 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H]2C[N@@H+]3CCN2C[C@H]3C)CC1 ZINC001518741435 922267418 /nfs/dbraw/zinc/26/74/18/922267418.db2.gz HNFFFUMSBIFCBX-OLZOCXBDSA-N 2 2 266.389 -0.461 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H]2C[N@H+]3CCN2C[C@H]3C)CC1 ZINC001518741435 922267429 /nfs/dbraw/zinc/26/74/29/922267429.db2.gz HNFFFUMSBIFCBX-OLZOCXBDSA-N 2 2 266.389 -0.461 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CCO1 ZINC001521465217 922357205 /nfs/dbraw/zinc/35/72/05/922357205.db2.gz ZULGOAHIUMBOKD-YVECIDJPSA-N 2 2 267.373 -0.036 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CCO1 ZINC001521465217 922357220 /nfs/dbraw/zinc/35/72/20/922357220.db2.gz ZULGOAHIUMBOKD-YVECIDJPSA-N 2 2 267.373 -0.036 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CON)C2)CC1 ZINC001521482233 922362525 /nfs/dbraw/zinc/36/25/25/922362525.db2.gz IZEURWPBTNUHKV-JTQLQIEISA-N 2 2 256.350 -0.839 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CON)C2)CC1 ZINC001521482233 922362536 /nfs/dbraw/zinc/36/25/36/922362536.db2.gz IZEURWPBTNUHKV-JTQLQIEISA-N 2 2 256.350 -0.839 20 0 CBADLP C[C@H](CC(=O)N1CC[NH2+]C[C@H]1CO)n1cc[nH+]c1 ZINC001522419106 922414485 /nfs/dbraw/zinc/41/44/85/922414485.db2.gz VTMQEDKYMOPPDM-MNOVXSKESA-N 2 2 252.318 -0.373 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001522654074 922498693 /nfs/dbraw/zinc/49/86/93/922498693.db2.gz MQJZUMYBIDKGSP-NSHDSACASA-N 2 2 293.371 -0.555 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001522654074 922498701 /nfs/dbraw/zinc/49/87/01/922498701.db2.gz MQJZUMYBIDKGSP-NSHDSACASA-N 2 2 293.371 -0.555 20 0 CBADLP CCC[N@H+](C)CC(=O)NCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001522780031 922516569 /nfs/dbraw/zinc/51/65/69/922516569.db2.gz AXBYGUGNSGMYJI-UHFFFAOYSA-N 2 2 281.360 -0.474 20 0 CBADLP CCC[N@@H+](C)CC(=O)NCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001522780031 922516576 /nfs/dbraw/zinc/51/65/76/922516576.db2.gz AXBYGUGNSGMYJI-UHFFFAOYSA-N 2 2 281.360 -0.474 20 0 CBADLP C[C@@H](C(=O)N1CCC[C@]([NH3+])(CO)C1)n1cc[nH+]c1 ZINC001523009058 922560210 /nfs/dbraw/zinc/56/02/10/922560210.db2.gz BECWXOSLFWLYHV-CMPLNLGQSA-N 2 2 252.318 -0.244 20 0 CBADLP C[C@H](C(=O)N1CC[C@H](CC[NH3+])C1)N1CC[NH2+]CC1=O ZINC001523019738 922561047 /nfs/dbraw/zinc/56/10/47/922561047.db2.gz XYYYQXSTBIXDOT-MNOVXSKESA-N 2 2 268.361 -0.996 20 0 CBADLP CC(=O)N(C)CC[NH+]1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001530095874 922905095 /nfs/dbraw/zinc/90/50/95/922905095.db2.gz JPFDTJCYPLGPTJ-UHFFFAOYSA-N 2 2 298.431 -0.049 20 0 CBADLP CC[N@H+](C)CCC(=O)N1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001530603018 922952205 /nfs/dbraw/zinc/95/22/05/922952205.db2.gz WQTGZXMFJRNGKS-UHFFFAOYSA-N 2 2 293.371 -0.379 20 0 CBADLP CC[N@@H+](C)CCC(=O)N1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001530603018 922952213 /nfs/dbraw/zinc/95/22/13/922952213.db2.gz WQTGZXMFJRNGKS-UHFFFAOYSA-N 2 2 293.371 -0.379 20 0 CBADLP C[C@@H](CO)[N@@H+]1CCCN(c2cc(N)[nH+]cn2)CC1 ZINC001548514603 923362335 /nfs/dbraw/zinc/36/23/35/923362335.db2.gz LTUVXHORUUJQMR-JTQLQIEISA-N 2 2 251.334 -0.048 20 0 CBADLP C[C@@H](CO)[N@H+]1CCCN(c2cc(N)[nH+]cn2)CC1 ZINC001548514603 923362345 /nfs/dbraw/zinc/36/23/45/923362345.db2.gz LTUVXHORUUJQMR-JTQLQIEISA-N 2 2 251.334 -0.048 20 0 CBADLP CN1CC[NH2+]C[C@H]1C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC001548550047 923374027 /nfs/dbraw/zinc/37/40/27/923374027.db2.gz XJJQNBHSHZPVCT-KBPBESRZSA-N 2 2 296.415 -0.787 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C[C@]1(O)CCC[NH2+]C1 ZINC001548554194 923374139 /nfs/dbraw/zinc/37/41/39/923374139.db2.gz SBVPJTJCJKHDRH-GXTWGEPZSA-N 2 2 285.388 -0.672 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)C[C@]1(O)CCC[NH2+]C1 ZINC001548554194 923374151 /nfs/dbraw/zinc/37/41/51/923374151.db2.gz SBVPJTJCJKHDRH-GXTWGEPZSA-N 2 2 285.388 -0.672 20 0 CBADLP CN1CC[NH2+]C[C@@H]1C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC001548550051 923374564 /nfs/dbraw/zinc/37/45/64/923374564.db2.gz XJJQNBHSHZPVCT-ZIAGYGMSSA-N 2 2 296.415 -0.787 20 0 CBADLP [NH3+]C[C@H](O)CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001548570390 923394899 /nfs/dbraw/zinc/39/48/99/923394899.db2.gz FWFYLVJQWATPKE-NWDGAFQWSA-N 2 2 271.361 -0.934 20 0 CBADLP [NH3+]C[C@H](O)CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001548570390 923394905 /nfs/dbraw/zinc/39/49/05/923394905.db2.gz FWFYLVJQWATPKE-NWDGAFQWSA-N 2 2 271.361 -0.934 20 0 CBADLP O=C(N[C@H]1C[NH2+]C[C@H]1O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001548572977 923396343 /nfs/dbraw/zinc/39/63/43/923396343.db2.gz SWSXORMGHLRWHG-QWHCGFSZSA-N 2 2 272.308 -0.065 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@H]2C[N@@H+]3CCN2C[C@H]3C)CC1 ZINC001548647804 923427160 /nfs/dbraw/zinc/42/71/60/923427160.db2.gz XLOFECARPLTJCT-ZIAGYGMSSA-N 2 2 296.415 -0.835 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@H]2C[N@H+]3CCN2C[C@H]3C)CC1 ZINC001548647804 923427168 /nfs/dbraw/zinc/42/71/68/923427168.db2.gz XLOFECARPLTJCT-ZIAGYGMSSA-N 2 2 296.415 -0.835 20 0 CBADLP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC001548723971 923473806 /nfs/dbraw/zinc/47/38/06/923473806.db2.gz FLPZZPFMSOMQSJ-BZPMIXESSA-N 2 2 289.383 -0.298 20 0 CBADLP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC001548723971 923473814 /nfs/dbraw/zinc/47/38/14/923473814.db2.gz FLPZZPFMSOMQSJ-BZPMIXESSA-N 2 2 289.383 -0.298 20 0 CBADLP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CC[NH+](CCCF)CC1 ZINC001548723913 923474143 /nfs/dbraw/zinc/47/41/43/923474143.db2.gz BHGFTLWDDNTWQS-KGLIPLIRSA-N 2 2 298.406 -0.122 20 0 CBADLP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CC[NH+](CCCF)CC1 ZINC001548723913 923474149 /nfs/dbraw/zinc/47/41/49/923474149.db2.gz BHGFTLWDDNTWQS-KGLIPLIRSA-N 2 2 298.406 -0.122 20 0 CBADLP Cn1cc([C@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]2[NH3+])cn1 ZINC001549074345 923554656 /nfs/dbraw/zinc/55/46/56/923554656.db2.gz RYVVEHNQZCVATF-CHWSQXEVSA-N 2 2 288.355 -0.040 20 0 CBADLP O=C(NC[C@H]1C[NH2+]CCCO1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001549539459 923601951 /nfs/dbraw/zinc/60/19/51/923601951.db2.gz CKKANOMRWLPHHD-VXGBXAGGSA-N 2 2 278.356 -0.060 20 0 CBADLP CN1CC[NH+]([C@@H]2CCN(C(=O)[C@@]34C[C@@H]3C[C@@H]([NH3+])C4)C2)CC1 ZINC001549905959 923647539 /nfs/dbraw/zinc/64/75/39/923647539.db2.gz WFNGTQJSRKLIKD-DSJMHWKBSA-N 2 2 292.427 -0.038 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC001550060506 923663505 /nfs/dbraw/zinc/66/35/05/923663505.db2.gz JAYWIBRRUDNONN-NEPJUHHUSA-N 2 2 264.329 -0.150 20 0 CBADLP C[C@H](C(=O)NC[C@@H]1CC12CC[NH2+]CC2)N1CC[NH2+]CC1=O ZINC001550081618 923669304 /nfs/dbraw/zinc/66/93/04/923669304.db2.gz QTHJDJNBVRSOSJ-NEPJUHHUSA-N 2 2 294.399 -0.687 20 0 CBADLP OC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC001550148381 923700145 /nfs/dbraw/zinc/70/01/45/923700145.db2.gz NAFRGZFKTKADJA-FPCVCCKLSA-N 2 2 295.427 -0.010 20 0 CBADLP OC[C@H]1C[N@H+]2CCC[C@@H]2CN1CC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC001550148381 923700152 /nfs/dbraw/zinc/70/01/52/923700152.db2.gz NAFRGZFKTKADJA-FPCVCCKLSA-N 2 2 295.427 -0.010 20 0 CBADLP OC[C@H]1C[NH+]2CCC[C@@H]2CN1CC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC001550148381 923700161 /nfs/dbraw/zinc/70/01/61/923700161.db2.gz NAFRGZFKTKADJA-FPCVCCKLSA-N 2 2 295.427 -0.010 20 0 CBADLP OC[C@H]1C[NH+]2CCC[C@@H]2CN1CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC001550148381 923700169 /nfs/dbraw/zinc/70/01/69/923700169.db2.gz NAFRGZFKTKADJA-FPCVCCKLSA-N 2 2 295.427 -0.010 20 0 CBADLP C[NH+](C)[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1n1ccnn1 ZINC001550409122 923726860 /nfs/dbraw/zinc/72/68/60/923726860.db2.gz VWYJNHVNLXNMLM-NWDGAFQWSA-N 2 2 289.343 -0.443 20 0 CBADLP CN(CCn1cc[nH+]c1)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC001550737939 923744733 /nfs/dbraw/zinc/74/47/33/923744733.db2.gz XBDXHUVUEMJHLO-LBPRGKRZSA-N 2 2 281.360 -0.097 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001552167845 923845947 /nfs/dbraw/zinc/84/59/47/923845947.db2.gz TVOXXFHWSQONPI-MNOVXSKESA-N 2 2 289.343 -0.173 20 0 CBADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552204562 923864927 /nfs/dbraw/zinc/86/49/27/923864927.db2.gz RZPCSZAZGJMBSY-UMNHJUIQSA-N 2 2 289.326 -0.417 20 0 CBADLP C[C@H]1[NH2+]CC[C@@H]1NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC001552244752 923875354 /nfs/dbraw/zinc/87/53/54/923875354.db2.gz BLUPOKUAMVJQDK-NDBYEHHHSA-N 2 2 282.388 -0.101 20 0 CBADLP C[C@H]1[NH2+]CC[C@@H]1NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC001552244752 923875362 /nfs/dbraw/zinc/87/53/62/923875362.db2.gz BLUPOKUAMVJQDK-NDBYEHHHSA-N 2 2 282.388 -0.101 20 0 CBADLP O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)N[C@@H]1C[NH2+]C[C@@H]1F ZINC001552356171 923890967 /nfs/dbraw/zinc/89/09/67/923890967.db2.gz UAUNPPHHBMIYIU-WHOHXGKFSA-N 2 2 286.351 -0.541 20 0 CBADLP O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)N[C@@H]1C[NH2+]C[C@@H]1F ZINC001552356171 923890980 /nfs/dbraw/zinc/89/09/80/923890980.db2.gz UAUNPPHHBMIYIU-WHOHXGKFSA-N 2 2 286.351 -0.541 20 0 CBADLP c1nn2c(c1C[NH+]1CCN([C@H]3CC[NH2+]C3)CC1)C[NH2+]CC2 ZINC001552687761 923917603 /nfs/dbraw/zinc/91/76/03/923917603.db2.gz ZDPZJNFAEXUZLF-AWEZNQCLSA-N 3 2 290.415 -0.534 20 0 CBADLP C[C@]1([NH3+])CCN(C(=O)[C@H]2CC[C@@H](C[NH+]3CCOCC3)O2)C1 ZINC001553035302 923933912 /nfs/dbraw/zinc/93/39/12/923933912.db2.gz OXERSSKMNBKSSF-GUTXKFCHSA-N 2 2 297.399 -0.184 20 0 CBADLP [NH3+]CCCNC(=O)[C@H]1CC[C@@H](C[NH+]2CCOCC2)O1 ZINC001553350222 923952356 /nfs/dbraw/zinc/95/23/56/923952356.db2.gz SYSNHJQNNUMESG-NWDGAFQWSA-N 2 2 271.361 -0.669 20 0 CBADLP [NH3+][C@@H]1CCN(C(=O)[C@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001553347340 923954470 /nfs/dbraw/zinc/95/44/70/923954470.db2.gz DTYIFKYJAMMJEM-JHJVBQTASA-N 2 2 283.372 -0.574 20 0 CBADLP C[C@@H]1CN(C(=O)[C@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC[NH2+]1 ZINC001553357257 923961649 /nfs/dbraw/zinc/96/16/49/923961649.db2.gz VHFUXAOEHOAQDB-MGPQQGTHSA-N 2 2 297.399 -0.314 20 0 CBADLP [NH3+]C[C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C[NH+]3CCOCC3)O2)C1 ZINC001553358156 923962554 /nfs/dbraw/zinc/96/25/54/923962554.db2.gz YFOIKXVDOBTJFM-MELADBBJSA-N 2 2 297.399 -0.327 20 0 CBADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)[C@@H]1C[C@H]2OCC[C@@H]2[NH2+]1 ZINC001553404123 923976580 /nfs/dbraw/zinc/97/65/80/923976580.db2.gz AMOLRVRXEIHJKJ-XWLWVQCSSA-N 2 2 289.326 -0.133 20 0 CBADLP COCC[N@@H+]1CCN(C(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)C[C@H]1C ZINC001553406799 923981770 /nfs/dbraw/zinc/98/17/70/923981770.db2.gz FYVFKPJZYWROSX-RFGFWPKPSA-N 2 2 297.399 -0.315 20 0 CBADLP COCC[N@H+]1CCN(C(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)C[C@H]1C ZINC001553406799 923981784 /nfs/dbraw/zinc/98/17/84/923981784.db2.gz FYVFKPJZYWROSX-RFGFWPKPSA-N 2 2 297.399 -0.315 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1 ZINC001553409333 923984869 /nfs/dbraw/zinc/98/48/69/923984869.db2.gz NRZQXGROAFDDRT-WYUUTHIRSA-N 2 2 264.329 -0.093 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)CC1 ZINC001553413142 923986884 /nfs/dbraw/zinc/98/68/84/923986884.db2.gz WBHIWPZAYXLBGR-AGIUHOORSA-N 2 2 283.372 -0.704 20 0 CBADLP O=C(NCCc1[nH]cc[nH+]1)[C@@H]1C[C@H]2OCC[C@@H]2[NH2+]1 ZINC001553411136 923987482 /nfs/dbraw/zinc/98/74/82/923987482.db2.gz LXKODDBMCMNHCM-LPEHRKFASA-N 2 2 250.302 -0.412 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)CC1 ZINC001553413147 923987678 /nfs/dbraw/zinc/98/76/78/923987678.db2.gz WBHIWPZAYXLBGR-AVGNSLFASA-N 2 2 283.372 -0.704 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)[C@@H]2C[C@H]3OCC[C@@H]3[NH2+]2)CC1 ZINC001553429962 923994757 /nfs/dbraw/zinc/99/47/57/923994757.db2.gz LLXINFLUQCOTPR-RWMBFGLXSA-N 3 2 282.388 -0.955 20 0 CBADLP O=C(N[C@@H]1CCc2[nH+]ccn2C1)[C@@H]1C[C@H]2OCC[C@H]2[NH2+]1 ZINC001553427252 923996142 /nfs/dbraw/zinc/99/61/42/923996142.db2.gz HKDDNMWDYWXXMI-WISYIIOYSA-N 2 2 276.340 -0.167 20 0 CBADLP C[N@@H+]1CCO[C@@H](CNC(=O)N2C[C@@H]([NH3+])C3(CCC3)C2)C1 ZINC001553442023 924000376 /nfs/dbraw/zinc/00/03/76/924000376.db2.gz CXJNSKMYZCHHDM-NWDGAFQWSA-N 2 2 282.388 -0.160 20 0 CBADLP C[N@H+]1CCO[C@@H](CNC(=O)N2C[C@@H]([NH3+])C3(CCC3)C2)C1 ZINC001553442023 924000387 /nfs/dbraw/zinc/00/03/87/924000387.db2.gz CXJNSKMYZCHHDM-NWDGAFQWSA-N 2 2 282.388 -0.160 20 0 CBADLP C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC[C@]23CC[NH2+]C3)C1 ZINC001553441122 924002422 /nfs/dbraw/zinc/00/24/22/924002422.db2.gz BSLUSNMDOQJTCZ-GXTWGEPZSA-N 2 2 282.388 -0.146 20 0 CBADLP C[N@H+]1CCO[C@@H](CNC(=O)N2CCC[C@]23CC[NH2+]C3)C1 ZINC001553441122 924002439 /nfs/dbraw/zinc/00/24/39/924002439.db2.gz BSLUSNMDOQJTCZ-GXTWGEPZSA-N 2 2 282.388 -0.146 20 0 CBADLP C[N@@H+]1CCO[C@H](CNC(=O)N2C[C@@H]3CC[C@@]3([NH3+])C2)C1 ZINC001553442053 924002925 /nfs/dbraw/zinc/00/29/25/924002925.db2.gz DCRFNDXITNZDAT-DMDPSCGWSA-N 2 2 268.361 -0.550 20 0 CBADLP C[N@H+]1CCO[C@H](CNC(=O)N2C[C@@H]3CC[C@@]3([NH3+])C2)C1 ZINC001553442053 924002930 /nfs/dbraw/zinc/00/29/30/924002930.db2.gz DCRFNDXITNZDAT-DMDPSCGWSA-N 2 2 268.361 -0.550 20 0 CBADLP [NH3+]CC12CC(C1)CN2C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001553523727 924021758 /nfs/dbraw/zinc/02/17/58/924021758.db2.gz ARMFHRMGRFCDKP-UHFFFAOYSA-N 3 2 281.404 -0.458 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC001553528236 924024969 /nfs/dbraw/zinc/02/49/69/924024969.db2.gz NDOWCTLOIFVIKS-ZIAGYGMSSA-N 3 2 295.431 -0.055 20 0 CBADLP C[C@H]1CC[NH2+][C@H](C(=O)N2CC[NH+](CCO)CC2)C1 ZINC000126116015 187217897 /nfs/dbraw/zinc/21/78/97/187217897.db2.gz KUCPOWLJCYQAJO-RYUDHWBXSA-N 2 2 255.362 -0.489 20 0 CBADLP O=C(N[C@H]1CC[NH2+]C1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000333677235 303972180 /nfs/dbraw/zinc/97/21/80/303972180.db2.gz OFPUHSAIECRJID-QWHCGFSZSA-N 2 2 282.388 -0.146 20 0 CBADLP C[C@H]1CN(C(=O)C2([NH3+])CC2)C[C@@H]1[NH+]1CCOCC1 ZINC000262696729 290679812 /nfs/dbraw/zinc/67/98/12/290679812.db2.gz FEVFXAHHPUIBMS-QWRGUYRKSA-N 2 2 253.346 -0.343 20 0 CBADLP O=C(C[NH+]1CCN(c2ccccn2)CC1)N[C@@H]1CC[NH2+]C1 ZINC000127391166 136385809 /nfs/dbraw/zinc/38/58/09/136385809.db2.gz GGWOSZJHTWTGGW-CYBMUJFWSA-N 2 2 289.383 -0.318 20 0 CBADLP Nc1cc[nH+]cc1C(=O)N1CC[NH+](CCO)CC1 ZINC000126844257 187265412 /nfs/dbraw/zinc/26/54/12/187265412.db2.gz SOIYCFZATVZAIH-UHFFFAOYSA-N 2 2 250.302 -0.586 20 0 CBADLP C[NH2+]CC(=O)N1CC[N@H+](C[C@H]2CN(C)CCO2)C[C@H]1C ZINC000376586098 529956346 /nfs/dbraw/zinc/95/63/46/529956346.db2.gz JNZOUKLMFXKEQT-CHWSQXEVSA-N 2 2 284.404 -0.931 20 0 CBADLP C[NH2+]CC(=O)N1CC[N@@H+](C[C@H]2CN(C)CCO2)C[C@H]1C ZINC000376586098 529956348 /nfs/dbraw/zinc/95/63/48/529956348.db2.gz JNZOUKLMFXKEQT-CHWSQXEVSA-N 2 2 284.404 -0.931 20 0 CBADLP C[N@H+](C[C@@H](O)C[NH+]1CC[C@H](NC(=O)NC2CC2)C1)C1CC1 ZINC000351599324 219139565 /nfs/dbraw/zinc/13/95/65/219139565.db2.gz WYUIYJXBEFDSTD-GXTWGEPZSA-N 2 2 296.415 -0.023 20 0 CBADLP C[N@@H+](C[C@@H](O)C[NH+]1CC[C@H](NC(=O)NC2CC2)C1)C1CC1 ZINC000351599324 219139567 /nfs/dbraw/zinc/13/95/67/219139567.db2.gz WYUIYJXBEFDSTD-GXTWGEPZSA-N 2 2 296.415 -0.023 20 0 CBADLP C[NH+](C[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)NC2CC2)C1)C1CC1 ZINC000351599324 219139568 /nfs/dbraw/zinc/13/95/68/219139568.db2.gz WYUIYJXBEFDSTD-GXTWGEPZSA-N 2 2 296.415 -0.023 20 0 CBADLP C[NH+](C[C@@H](O)C[N@H+]1CC[C@H](NC(=O)NC2CC2)C1)C1CC1 ZINC000351599324 219139571 /nfs/dbraw/zinc/13/95/71/219139571.db2.gz WYUIYJXBEFDSTD-GXTWGEPZSA-N 2 2 296.415 -0.023 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+]C(C)(C)CN2CCOCC2)CC1 ZINC000308646385 530068222 /nfs/dbraw/zinc/06/82/22/530068222.db2.gz FVCVPRHLBDOOQB-UHFFFAOYSA-N 2 2 298.431 -0.539 20 0 CBADLP Cc1[nH+]ccn1CCC[NH+]1CCN(C(=O)CO)CC1 ZINC000305717024 201778795 /nfs/dbraw/zinc/77/87/95/201778795.db2.gz HVDQREMRQWKTJX-UHFFFAOYSA-N 2 2 266.345 -0.282 20 0 CBADLP Cc1noc(C)c1C[NH+]1CCN(C(=O)C[NH3+])CC1 ZINC000237605155 282383776 /nfs/dbraw/zinc/38/37/76/282383776.db2.gz IWJPZOOGWVZALP-UHFFFAOYSA-N 2 2 252.318 -0.106 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH+]2CC=CCC2)C1 ZINC000339205474 215013540 /nfs/dbraw/zinc/01/35/40/215013540.db2.gz ROJCVJFXIXFCOQ-GFCCVEGCSA-N 2 2 253.346 -0.305 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)NCC[NH+]2CC=CCC2)C1 ZINC000339205474 215013544 /nfs/dbraw/zinc/01/35/44/215013544.db2.gz ROJCVJFXIXFCOQ-GFCCVEGCSA-N 2 2 253.346 -0.305 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)NCC[N@H+]2CC=CCC2)C1 ZINC000339205474 215013546 /nfs/dbraw/zinc/01/35/46/215013546.db2.gz ROJCVJFXIXFCOQ-GFCCVEGCSA-N 2 2 253.346 -0.305 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)NCC[N@@H+]2CC=CCC2)C1 ZINC000339205474 215013549 /nfs/dbraw/zinc/01/35/49/215013549.db2.gz ROJCVJFXIXFCOQ-GFCCVEGCSA-N 2 2 253.346 -0.305 20 0 CBADLP Cc1[nH+]ccn1CCC[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000270684945 190771291 /nfs/dbraw/zinc/77/12/91/190771291.db2.gz VDFWLZYQOUXYKO-GFCCVEGCSA-N 2 2 291.355 -0.776 20 0 CBADLP Cc1[nH+]ccn1CCC[N@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000270684945 190771292 /nfs/dbraw/zinc/77/12/92/190771292.db2.gz VDFWLZYQOUXYKO-GFCCVEGCSA-N 2 2 291.355 -0.776 20 0 CBADLP C[C@@H]1C[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@@H]1O ZINC000351773149 219201665 /nfs/dbraw/zinc/20/16/65/219201665.db2.gz CNUVEKFKWJIKDO-OLZOCXBDSA-N 2 2 299.415 -0.474 20 0 CBADLP C[C@@H]1C[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@@H]1O ZINC000351773149 219201668 /nfs/dbraw/zinc/20/16/68/219201668.db2.gz CNUVEKFKWJIKDO-OLZOCXBDSA-N 2 2 299.415 -0.474 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2C[C@@H](C)[C@H](O)C2)CC1 ZINC000351807802 219211936 /nfs/dbraw/zinc/21/19/36/219211936.db2.gz IAHKCXGQFLVGIJ-FRRDWIJNSA-N 2 2 269.389 -0.148 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2C[C@@H](C)[C@H](O)C2)CC1 ZINC000351807802 219211939 /nfs/dbraw/zinc/21/19/39/219211939.db2.gz IAHKCXGQFLVGIJ-FRRDWIJNSA-N 2 2 269.389 -0.148 20 0 CBADLP C[N@H+](C[C@H](O)C[NH+]1[C@@H](CO)CC[C@@H]1CO)C1CC1 ZINC000351982656 219274498 /nfs/dbraw/zinc/27/44/98/219274498.db2.gz OKNNUKUINYOHIJ-UPJWGTAASA-N 2 2 258.362 -0.741 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH+]1[C@@H](CO)CC[C@@H]1CO)C1CC1 ZINC000351982656 219274499 /nfs/dbraw/zinc/27/44/99/219274499.db2.gz OKNNUKUINYOHIJ-UPJWGTAASA-N 2 2 258.362 -0.741 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C[C@@H]1COCC[NH2+]1 ZINC000128930956 187399552 /nfs/dbraw/zinc/39/95/52/187399552.db2.gz USDIHKDPLMQNIM-WDEREUQCSA-N 2 2 252.318 -0.234 20 0 CBADLP CC[N@H+](CCO)CCNC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000274528768 352539682 /nfs/dbraw/zinc/53/96/82/352539682.db2.gz YUKCOUATZKIJPY-GFCCVEGCSA-N 2 2 283.376 -0.115 20 0 CBADLP CC[N@@H+](CCO)CCNC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000274528768 352539685 /nfs/dbraw/zinc/53/96/85/352539685.db2.gz YUKCOUATZKIJPY-GFCCVEGCSA-N 2 2 283.376 -0.115 20 0 CBADLP C[C@@H]1CN(CC(=O)N2CC[NH+](C)CC2)C[C@H](C)[N@H+]1C ZINC000339629184 215279357 /nfs/dbraw/zinc/27/93/57/215279357.db2.gz LLOXYDGBXIOVOP-BETUJISGSA-N 2 2 268.405 -0.215 20 0 CBADLP C[C@@H]1CN(CC(=O)N2CC[NH+](C)CC2)C[C@H](C)[N@@H+]1C ZINC000339629184 215279360 /nfs/dbraw/zinc/27/93/60/215279360.db2.gz LLOXYDGBXIOVOP-BETUJISGSA-N 2 2 268.405 -0.215 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)NC2CC[NH+](C)CC2)CC1 ZINC000339637291 215283285 /nfs/dbraw/zinc/28/32/85/215283285.db2.gz SGHHWMXRIWSVLL-UHFFFAOYSA-N 2 2 282.388 -0.639 20 0 CBADLP O=C(C[C@H]1C[NH2+]CCO1)NCCCn1cc[nH+]c1 ZINC000091299319 180125931 /nfs/dbraw/zinc/12/59/31/180125931.db2.gz LQOYPGSJUOYECX-NSHDSACASA-N 2 2 252.318 -0.232 20 0 CBADLP CC[NH+](CC)CCS(=O)(=O)NCC[NH+]1CCC1 ZINC000352090981 219316496 /nfs/dbraw/zinc/31/64/96/219316496.db2.gz CIGWMJKRLWEKPA-UHFFFAOYSA-N 2 2 263.407 -0.047 20 0 CBADLP CC[NH+]1CCN(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000106582427 186127682 /nfs/dbraw/zinc/12/76/82/186127682.db2.gz PGOHOIVPWOCEAE-CQSZACIVSA-N 2 2 297.447 -0.031 20 0 CBADLP CC[NH+]1CCN(C(=O)N[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000106582427 186127683 /nfs/dbraw/zinc/12/76/83/186127683.db2.gz PGOHOIVPWOCEAE-CQSZACIVSA-N 2 2 297.447 -0.031 20 0 CBADLP C[C@H](CNC(=O)C[C@H]1CC[NH2+]C1)[NH+]1CCOCC1 ZINC000130423288 282709627 /nfs/dbraw/zinc/70/96/27/282709627.db2.gz NCKCWMCWRWCSNV-VXGBXAGGSA-N 2 2 255.362 -0.177 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000109752421 186271198 /nfs/dbraw/zinc/27/11/98/186271198.db2.gz ORISOSXVUUKMKI-QWHCGFSZSA-N 2 2 268.405 -0.038 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000109752421 186271199 /nfs/dbraw/zinc/27/11/99/186271199.db2.gz ORISOSXVUUKMKI-QWHCGFSZSA-N 2 2 268.405 -0.038 20 0 CBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CNC(=O)C1 ZINC000110433177 186295903 /nfs/dbraw/zinc/29/59/03/186295903.db2.gz XKTRPDANBRHVJD-LBPRGKRZSA-N 2 2 296.415 -0.393 20 0 CBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CNC(=O)C1 ZINC000110433177 186295904 /nfs/dbraw/zinc/29/59/04/186295904.db2.gz XKTRPDANBRHVJD-LBPRGKRZSA-N 2 2 296.415 -0.393 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[N@H+](C)C1CC[NH2+]CC1 ZINC000036300490 351390616 /nfs/dbraw/zinc/39/06/16/351390616.db2.gz CCGDYKJYFGAOKB-UHFFFAOYSA-N 2 2 284.404 -0.345 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[N@@H+](C)C1CC[NH2+]CC1 ZINC000036300490 351390619 /nfs/dbraw/zinc/39/06/19/351390619.db2.gz CCGDYKJYFGAOKB-UHFFFAOYSA-N 2 2 284.404 -0.345 20 0 CBADLP O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CCN(c2cccc[nH+]2)CC1 ZINC000020434230 351353214 /nfs/dbraw/zinc/35/32/14/351353214.db2.gz AZGWEGIYGNQMSY-RYUDHWBXSA-N 2 2 276.340 -0.547 20 0 CBADLP C[NH+]1CCN(C(=O)CCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000023382876 351359061 /nfs/dbraw/zinc/35/90/61/351359061.db2.gz YCBDUKKJVKVGBN-UHFFFAOYSA-N 2 2 296.415 -0.295 20 0 CBADLP NC(=O)NC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000037918032 351410850 /nfs/dbraw/zinc/41/08/50/351410850.db2.gz GHAZCNIBORHCBJ-NXEZZACHSA-N 2 2 254.334 -0.355 20 0 CBADLP NC(=O)NC(=O)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000037918032 351410855 /nfs/dbraw/zinc/41/08/55/351410855.db2.gz GHAZCNIBORHCBJ-NXEZZACHSA-N 2 2 254.334 -0.355 20 0 CBADLP CNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917747 351411535 /nfs/dbraw/zinc/41/15/35/351411535.db2.gz KWSRLDRASLZLEK-MNOVXSKESA-N 2 2 268.361 -0.094 20 0 CBADLP CNC(=O)NC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917747 351411538 /nfs/dbraw/zinc/41/15/38/351411538.db2.gz KWSRLDRASLZLEK-MNOVXSKESA-N 2 2 268.361 -0.094 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCCC[C@H]2CCO)CC1 ZINC000049801447 351495933 /nfs/dbraw/zinc/49/59/33/351495933.db2.gz ZOZMHXAFRCGDEM-ZDUSSCGKSA-N 2 2 269.389 -0.003 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CCCC[C@H]2CCO)CC1 ZINC000049801447 351495936 /nfs/dbraw/zinc/49/59/36/351495936.db2.gz ZOZMHXAFRCGDEM-ZDUSSCGKSA-N 2 2 269.389 -0.003 20 0 CBADLP CC[NH+]1CCN(CCNC(=O)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000339812258 215348586 /nfs/dbraw/zinc/34/85/86/215348586.db2.gz CUWSNHHNPQNPDE-AWEZNQCLSA-N 2 2 298.431 -0.539 20 0 CBADLP CCNC(=O)CC[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000051763375 351512641 /nfs/dbraw/zinc/51/26/41/351512641.db2.gz NFLUHYTVVURIEP-UHFFFAOYSA-N 2 2 270.377 -0.782 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C[C@H](O)CN1CCOCC1 ZINC000049235172 351488762 /nfs/dbraw/zinc/48/87/62/351488762.db2.gz UZPICKRURJHBLA-STQMWFEESA-N 2 2 268.361 -0.446 20 0 CBADLP COCC[N@H+](C)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000054355775 351534986 /nfs/dbraw/zinc/53/49/86/351534986.db2.gz MCLOQQNSQSOXAR-UHFFFAOYSA-N 2 2 287.404 -0.208 20 0 CBADLP COCC[N@@H+](C)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000054355775 351534988 /nfs/dbraw/zinc/53/49/88/351534988.db2.gz MCLOQQNSQSOXAR-UHFFFAOYSA-N 2 2 287.404 -0.208 20 0 CBADLP CC[C@]1(C(=O)NCC[NH+]2CCOCC2)CC[NH2+]C1 ZINC000062889410 351577039 /nfs/dbraw/zinc/57/70/39/351577039.db2.gz LVLPAFQLVRWWDL-ZDUSSCGKSA-N 2 2 255.362 -0.176 20 0 CBADLP O=C([C@H]1CCC[NH2+]1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000062976771 351578173 /nfs/dbraw/zinc/57/81/73/351578173.db2.gz JRWXUCAMBVZOBR-NWDGAFQWSA-N 2 2 253.346 -0.329 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N1CCC[NH+](CC(=O)N(C)C)CC1 ZINC000067573126 351608628 /nfs/dbraw/zinc/60/86/28/351608628.db2.gz ZDFXVXUCJRTQMH-UHFFFAOYSA-N 2 2 298.431 -0.051 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N1CCC[NH+](CC(=O)N(C)C)CC1 ZINC000067573126 351608631 /nfs/dbraw/zinc/60/86/31/351608631.db2.gz ZDFXVXUCJRTQMH-UHFFFAOYSA-N 2 2 298.431 -0.051 20 0 CBADLP CC(C)[NH+](C)CC(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC000067573126 351608634 /nfs/dbraw/zinc/60/86/34/351608634.db2.gz ZDFXVXUCJRTQMH-UHFFFAOYSA-N 2 2 298.431 -0.051 20 0 CBADLP CC(C)[NH+](C)CC(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC000067573126 351608636 /nfs/dbraw/zinc/60/86/36/351608636.db2.gz ZDFXVXUCJRTQMH-UHFFFAOYSA-N 2 2 298.431 -0.051 20 0 CBADLP CN(C)c1[nH+]cc(C[NH2+][C@H]2CCCNC2=O)n1C ZINC000070144049 351635964 /nfs/dbraw/zinc/63/59/64/351635964.db2.gz QNCXPCMGTJOXAZ-JTQLQIEISA-N 2 2 251.334 -0.146 20 0 CBADLP CC[N@H+](C)C[C@@H]1CC[NH+](CCNS(C)(=O)=O)C1 ZINC000072858924 351652136 /nfs/dbraw/zinc/65/21/36/351652136.db2.gz QRMLKIWAMKCNHO-NSHDSACASA-N 2 2 263.407 -0.191 20 0 CBADLP CC[N@@H+](C)C[C@@H]1CC[NH+](CCNS(C)(=O)=O)C1 ZINC000072858924 351652137 /nfs/dbraw/zinc/65/21/37/351652137.db2.gz QRMLKIWAMKCNHO-NSHDSACASA-N 2 2 263.407 -0.191 20 0 CBADLP CC[NH+](C)C[C@@H]1CC[N@H+](CCNS(C)(=O)=O)C1 ZINC000072858924 351652140 /nfs/dbraw/zinc/65/21/40/351652140.db2.gz QRMLKIWAMKCNHO-NSHDSACASA-N 2 2 263.407 -0.191 20 0 CBADLP CC[NH+](C)C[C@@H]1CC[N@@H+](CCNS(C)(=O)=O)C1 ZINC000072858924 351652143 /nfs/dbraw/zinc/65/21/43/351652143.db2.gz QRMLKIWAMKCNHO-NSHDSACASA-N 2 2 263.407 -0.191 20 0 CBADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)C[NH+](CC)CC)CC1 ZINC000068441725 351618937 /nfs/dbraw/zinc/61/89/37/351618937.db2.gz HICGJEGBHVWKGP-UHFFFAOYSA-N 2 2 298.431 -0.001 20 0 CBADLP CCNC(=O)C[N@H+]1CCCN(C(=O)C[NH+](CC)CC)CC1 ZINC000068441725 351618940 /nfs/dbraw/zinc/61/89/40/351618940.db2.gz HICGJEGBHVWKGP-UHFFFAOYSA-N 2 2 298.431 -0.001 20 0 CBADLP CC(C)OC[C@@H](O)C[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000068805218 351622478 /nfs/dbraw/zinc/62/24/78/351622478.db2.gz CFSHRDHHLNNZMS-STQMWFEESA-N 2 2 259.394 -0.392 20 0 CBADLP CC(C)OC[C@@H](O)C[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000068805218 351622481 /nfs/dbraw/zinc/62/24/81/351622481.db2.gz CFSHRDHHLNNZMS-STQMWFEESA-N 2 2 259.394 -0.392 20 0 CBADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@@H]1CSC[NH2+]1 ZINC000068807920 351623788 /nfs/dbraw/zinc/62/37/88/351623788.db2.gz RTIMPCVGSSAPBY-ZJUUUORDSA-N 2 2 258.391 -0.989 20 0 CBADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@@H]1CSC[NH2+]1 ZINC000068807920 351623789 /nfs/dbraw/zinc/62/37/89/351623789.db2.gz RTIMPCVGSSAPBY-ZJUUUORDSA-N 2 2 258.391 -0.989 20 0 CBADLP CC(C)[NH+](CCC[N@H+](CC(N)=O)C(C)C)CC(N)=O ZINC000077247535 351679860 /nfs/dbraw/zinc/67/98/60/351679860.db2.gz DAMFPANJZNDFLN-UHFFFAOYSA-N 2 2 272.393 -0.232 20 0 CBADLP CC(C)[NH+](CCC[N@@H+](CC(N)=O)C(C)C)CC(N)=O ZINC000077247535 351679865 /nfs/dbraw/zinc/67/98/65/351679865.db2.gz DAMFPANJZNDFLN-UHFFFAOYSA-N 2 2 272.393 -0.232 20 0 CBADLP CC[NH+](CC)CC(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC000079845835 351695486 /nfs/dbraw/zinc/69/54/86/351695486.db2.gz QGHVQKFEVKAVQJ-UHFFFAOYSA-N 2 2 298.431 -0.049 20 0 CBADLP CC[NH+](CC)CC(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC000079845835 351695488 /nfs/dbraw/zinc/69/54/88/351695488.db2.gz QGHVQKFEVKAVQJ-UHFFFAOYSA-N 2 2 298.431 -0.049 20 0 CBADLP C[N@@H+]1CCC[C@H](NC(=O)NCC[NH+]2CCOCC2)C1 ZINC000080322501 351697589 /nfs/dbraw/zinc/69/75/89/351697589.db2.gz JILAGBYDUXSPOZ-LBPRGKRZSA-N 2 2 270.377 -0.288 20 0 CBADLP C[N@H+]1CCC[C@H](NC(=O)NCC[NH+]2CCOCC2)C1 ZINC000080322501 351697592 /nfs/dbraw/zinc/69/75/92/351697592.db2.gz JILAGBYDUXSPOZ-LBPRGKRZSA-N 2 2 270.377 -0.288 20 0 CBADLP O=C([C@H]1CCCCC[NH2+]1)N1CC[NH+](CCO)CC1 ZINC000080993871 351701397 /nfs/dbraw/zinc/70/13/97/351701397.db2.gz UAIVHIKLTRUNKA-GFCCVEGCSA-N 2 2 255.362 -0.345 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)C[NH+]1CCN(C)CC1 ZINC000081396521 351705643 /nfs/dbraw/zinc/70/56/43/351705643.db2.gz CBCURDXRNCBGMT-KBPBESRZSA-N 2 2 298.431 -0.683 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C[NH+]1CCN(C)CC1 ZINC000081396521 351705644 /nfs/dbraw/zinc/70/56/44/351705644.db2.gz CBCURDXRNCBGMT-KBPBESRZSA-N 2 2 298.431 -0.683 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)CN1CC[NH+](C)CC1 ZINC000081396521 351705646 /nfs/dbraw/zinc/70/56/46/351705646.db2.gz CBCURDXRNCBGMT-KBPBESRZSA-N 2 2 298.431 -0.683 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)CN1CC[NH+](C)CC1 ZINC000081396521 351705647 /nfs/dbraw/zinc/70/56/47/351705647.db2.gz CBCURDXRNCBGMT-KBPBESRZSA-N 2 2 298.431 -0.683 20 0 CBADLP C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@@H]1COCC[NH2+]1 ZINC000088358085 351723833 /nfs/dbraw/zinc/72/38/33/351723833.db2.gz LTZAEPFINFMHSG-RYUDHWBXSA-N 2 2 255.362 -0.035 20 0 CBADLP CC(=O)N[C@H]1CCCN(C(=O)C[NH+]2CCC([NH3+])CC2)C1 ZINC000092714159 351751590 /nfs/dbraw/zinc/75/15/90/351751590.db2.gz VOLMASBILJBGGX-ZDUSSCGKSA-N 2 2 282.388 -0.463 20 0 CBADLP CCOCCNC(=O)C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000089926889 351735270 /nfs/dbraw/zinc/73/52/70/351735270.db2.gz RLHWBGDWCZKSMO-UHFFFAOYSA-N 2 2 295.387 -0.305 20 0 CBADLP C[NH2+]C[C@@H](C)C(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC000092134649 351747719 /nfs/dbraw/zinc/74/77/19/351747719.db2.gz UFMKLBRRMCMPBL-GFCCVEGCSA-N 2 2 284.404 -0.536 20 0 CBADLP C[NH2+]C[C@@H](C)C(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC000092134649 351747724 /nfs/dbraw/zinc/74/77/24/351747724.db2.gz UFMKLBRRMCMPBL-GFCCVEGCSA-N 2 2 284.404 -0.536 20 0 CBADLP C[C@@H](CS(C)(=O)=O)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000081907707 351711216 /nfs/dbraw/zinc/71/12/16/351711216.db2.gz JREBDXGKCIPQQZ-WDEREUQCSA-N 2 2 264.391 -0.534 20 0 CBADLP Cn1cc[nH+]c1CN1CCN(C(=O)C[NH+](C)C)CC1 ZINC000102514224 351784934 /nfs/dbraw/zinc/78/49/34/351784934.db2.gz SNWQMJXBUOSVCH-UHFFFAOYSA-N 2 2 265.361 -0.374 20 0 CBADLP CCOC(=O)CCCNC(=O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000107574428 351794526 /nfs/dbraw/zinc/79/45/26/351794526.db2.gz GNEWRJBACCGPIS-VXGBXAGGSA-N 2 2 283.372 -0.403 20 0 CBADLP COC(=O)[C@H](CC(C)C)NC(=O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107575115 351795193 /nfs/dbraw/zinc/79/51/93/351795193.db2.gz GXDDWPLMOBJOOJ-XQQFMLRXSA-N 2 2 297.399 -0.159 20 0 CBADLP COC(=O)[C@H](CC(C)C)NC(=O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107575115 351795198 /nfs/dbraw/zinc/79/51/98/351795198.db2.gz GXDDWPLMOBJOOJ-XQQFMLRXSA-N 2 2 297.399 -0.159 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C(C)(C)O)CC1 ZINC000093203432 351757970 /nfs/dbraw/zinc/75/79/70/351757970.db2.gz ZQNSXJSJSVUZSC-GFCCVEGCSA-N 2 2 269.389 -0.004 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C(C)(C)O)CC1 ZINC000093203432 351757974 /nfs/dbraw/zinc/75/79/74/351757974.db2.gz ZQNSXJSJSVUZSC-GFCCVEGCSA-N 2 2 269.389 -0.004 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCCC[C@@H]2CC(N)=O)CC1 ZINC000093171965 351758482 /nfs/dbraw/zinc/75/84/82/351758482.db2.gz WKDJWUKJZIHEGL-GFCCVEGCSA-N 2 2 282.388 -0.510 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CCCC[C@@H]2CC(N)=O)CC1 ZINC000093171965 351758484 /nfs/dbraw/zinc/75/84/84/351758484.db2.gz WKDJWUKJZIHEGL-GFCCVEGCSA-N 2 2 282.388 -0.510 20 0 CBADLP C[C@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)C[C@@H]1O ZINC000093344027 351759692 /nfs/dbraw/zinc/75/96/92/351759692.db2.gz HYPFKXRLBUUAKL-RYUDHWBXSA-N 2 2 255.362 -0.537 20 0 CBADLP C[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C[C@@H]1O ZINC000093344027 351759696 /nfs/dbraw/zinc/75/96/96/351759696.db2.gz HYPFKXRLBUUAKL-RYUDHWBXSA-N 2 2 255.362 -0.537 20 0 CBADLP C[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)C[C@@H]1O ZINC000093344026 351760043 /nfs/dbraw/zinc/76/00/43/351760043.db2.gz HYPFKXRLBUUAKL-NEPJUHHUSA-N 2 2 255.362 -0.537 20 0 CBADLP C[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C[C@@H]1O ZINC000093344026 351760045 /nfs/dbraw/zinc/76/00/45/351760045.db2.gz HYPFKXRLBUUAKL-NEPJUHHUSA-N 2 2 255.362 -0.537 20 0 CBADLP C[C@H]1C[N@H+](CC(=O)NC(=O)NC2CC2)CC[C@@H]1[NH3+] ZINC000094341891 351764308 /nfs/dbraw/zinc/76/43/08/351764308.db2.gz AGSOQUWNIPLLHY-WPRPVWTQSA-N 2 2 254.334 -0.356 20 0 CBADLP C[C@H]1C[N@@H+](CC(=O)NC(=O)NC2CC2)CC[C@@H]1[NH3+] ZINC000094341891 351764315 /nfs/dbraw/zinc/76/43/15/351764315.db2.gz AGSOQUWNIPLLHY-WPRPVWTQSA-N 2 2 254.334 -0.356 20 0 CBADLP C[NH+]1CCN(CC(=O)N2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000111614416 351803239 /nfs/dbraw/zinc/80/32/39/351803239.db2.gz ZSAPTSIXZKPGCL-UHFFFAOYSA-N 2 2 298.431 -0.851 20 0 CBADLP CNS(=O)(=O)CCC[NH+]1CCC([NH+](C)C)CC1 ZINC000116351142 351821889 /nfs/dbraw/zinc/82/18/89/351821889.db2.gz KOHFAPQNAWMPIC-UHFFFAOYSA-N 2 2 263.407 -0.048 20 0 CBADLP CN1CC[NH+](CCCC[N@H+]2CCN(C)C(=O)C2)CC1=O ZINC000119343024 351833103 /nfs/dbraw/zinc/83/31/03/351833103.db2.gz SXQAXOLYNXKJPS-UHFFFAOYSA-N 2 2 282.388 -0.685 20 0 CBADLP CN1CC[NH+](CCCC[N@@H+]2CCN(C)C(=O)C2)CC1=O ZINC000119343024 351833107 /nfs/dbraw/zinc/83/31/07/351833107.db2.gz SXQAXOLYNXKJPS-UHFFFAOYSA-N 2 2 282.388 -0.685 20 0 CBADLP CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CC[C@@H]([NH3+])C2)C1 ZINC000123133268 351853727 /nfs/dbraw/zinc/85/37/27/351853727.db2.gz WSARHOLLCCDJPU-GHMZBOCLSA-N 2 2 261.391 -0.309 20 0 CBADLP CS(=O)(=O)N1CCC[C@H](C[N@H+]2CC[C@@H]([NH3+])C2)C1 ZINC000123133268 351853729 /nfs/dbraw/zinc/85/37/29/351853729.db2.gz WSARHOLLCCDJPU-GHMZBOCLSA-N 2 2 261.391 -0.309 20 0 CBADLP CC[N@H+](C)CCNC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000120759524 351842998 /nfs/dbraw/zinc/84/29/98/351842998.db2.gz VLFDHGYIWSWMQL-LBPRGKRZSA-N 2 2 272.393 -0.042 20 0 CBADLP CC[N@@H+](C)CCNC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000120759524 351843001 /nfs/dbraw/zinc/84/30/01/351843001.db2.gz VLFDHGYIWSWMQL-LBPRGKRZSA-N 2 2 272.393 -0.042 20 0 CBADLP CCOCC[NH+]1CCN(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000120994403 351845659 /nfs/dbraw/zinc/84/56/59/351845659.db2.gz RICNINQFWKIBBJ-UHFFFAOYSA-N 2 2 298.431 -0.586 20 0 CBADLP C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000120973394 351845739 /nfs/dbraw/zinc/84/57/39/351845739.db2.gz QOQYOXIZBJZRBA-NEPJUHHUSA-N 2 2 282.388 -0.654 20 0 CBADLP C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000120973394 351845740 /nfs/dbraw/zinc/84/57/40/351845740.db2.gz QOQYOXIZBJZRBA-NEPJUHHUSA-N 2 2 282.388 -0.654 20 0 CBADLP CC[C@@H]([NH3+])C(=O)N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC000130593292 351880711 /nfs/dbraw/zinc/88/07/11/351880711.db2.gz UNGOQNXJFJLKGA-CHWSQXEVSA-N 2 2 296.415 -0.121 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH+]2CCC(OCCO)CC2)CC1 ZINC000129345155 351869728 /nfs/dbraw/zinc/86/97/28/351869728.db2.gz HIFLCIIXWFGFCS-UHFFFAOYSA-N 2 2 285.388 -0.766 20 0 CBADLP C[NH+](C)CCN1CCC(CNC(=O)C[NH+](C)C)CC1 ZINC000129617516 351873071 /nfs/dbraw/zinc/87/30/71/351873071.db2.gz GRBWSNNUXXPKQT-UHFFFAOYSA-N 2 2 270.421 -0.062 20 0 CBADLP NC(=O)NC(=O)CC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000129667318 351873160 /nfs/dbraw/zinc/87/31/60/351873160.db2.gz DVJMVDPSXITVRP-LLVKDONJSA-N 2 2 284.360 -0.775 20 0 CBADLP NC(=O)NC(=O)CC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000129667318 351873165 /nfs/dbraw/zinc/87/31/65/351873165.db2.gz DVJMVDPSXITVRP-LLVKDONJSA-N 2 2 284.360 -0.775 20 0 CBADLP C[N@H+]1CCN(C(=O)[C@@H]2CC23CC[NH2+]CC3)[C@H](C[NH3+])C1 ZINC000136809167 351920922 /nfs/dbraw/zinc/92/09/22/351920922.db2.gz ATMZFJLGBBTDHT-NEPJUHHUSA-N 3 2 266.389 -0.523 20 0 CBADLP C[NH+]1CCN(Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000154414410 351947370 /nfs/dbraw/zinc/94/73/70/351947370.db2.gz WVEWKQZVWBUNCI-UHFFFAOYSA-N 2 2 290.415 -0.024 20 0 CBADLP NC(=O)NC(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150768793 351931983 /nfs/dbraw/zinc/93/19/83/351931983.db2.gz MMHUNSBPPUDQBT-JTQLQIEISA-N 2 2 254.334 -0.401 20 0 CBADLP NC(=O)NC(=O)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150768793 351931987 /nfs/dbraw/zinc/93/19/87/351931987.db2.gz MMHUNSBPPUDQBT-JTQLQIEISA-N 2 2 254.334 -0.401 20 0 CBADLP C[C@@H](CNC(=O)CN1CC[NH+](C)CC1)C[NH+]1CCOCC1 ZINC000132510565 351893800 /nfs/dbraw/zinc/89/38/00/351893800.db2.gz HUMMDMKERPVDGQ-AWEZNQCLSA-N 2 2 298.431 -0.682 20 0 CBADLP C[NH+](C)C[C@](C)(O)CNC(=O)NCCCn1cc[nH+]c1 ZINC000132706604 351894860 /nfs/dbraw/zinc/89/48/60/351894860.db2.gz JSXQVZTUBJXNEM-CYBMUJFWSA-N 2 2 283.376 -0.115 20 0 CBADLP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCC[NH+]2CCOCC2)C1(C)C ZINC000133805653 351902515 /nfs/dbraw/zinc/90/25/15/351902515.db2.gz MQRMJRPWTLHKIA-IUODEOHRSA-N 2 2 299.415 -0.033 20 0 CBADLP CCC(CC)(C[NH3+])NC(=O)CN1CC[NH2+]CC1=O ZINC000154512612 351946534 /nfs/dbraw/zinc/94/65/34/351946534.db2.gz MZJFOXUZMADETA-UHFFFAOYSA-N 2 2 256.350 -0.948 20 0 CBADLP CN(C)c1nc(N2CCN(C(=O)C[NH+](C)C)CC2)cc[nH+]1 ZINC000155728117 351951177 /nfs/dbraw/zinc/95/11/77/351951177.db2.gz MWBXFQVNKGICHC-UHFFFAOYSA-N 2 2 292.387 -0.247 20 0 CBADLP C[NH+](C)C[C@@H]1CCN(C(=O)NCC[NH+]2CCOCC2)C1 ZINC000162696996 351978189 /nfs/dbraw/zinc/97/81/89/351978189.db2.gz WPJZYOBLPNQWQA-ZDUSSCGKSA-N 2 2 284.404 -0.088 20 0 CBADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000163217371 351980452 /nfs/dbraw/zinc/98/04/52/351980452.db2.gz DVRUURMMFWZYPM-DTWKUNHWSA-N 2 2 254.334 -0.356 20 0 CBADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000163217371 351980455 /nfs/dbraw/zinc/98/04/55/351980455.db2.gz DVRUURMMFWZYPM-DTWKUNHWSA-N 2 2 254.334 -0.356 20 0 CBADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000163217484 351980507 /nfs/dbraw/zinc/98/05/07/351980507.db2.gz DVRUURMMFWZYPM-RKDXNWHRSA-N 2 2 254.334 -0.356 20 0 CBADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000163217484 351980510 /nfs/dbraw/zinc/98/05/10/351980510.db2.gz DVRUURMMFWZYPM-RKDXNWHRSA-N 2 2 254.334 -0.356 20 0 CBADLP CCOCC[NH+]1CCN(C(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000164473450 351983680 /nfs/dbraw/zinc/98/36/80/351983680.db2.gz AJKNEMUMSINCLV-GFCCVEGCSA-N 2 2 271.361 -0.845 20 0 CBADLP CCOCC[NH+]1CCN(C(=O)[C@@]2(F)CC[NH2+]C2)CC1 ZINC000164475362 351984634 /nfs/dbraw/zinc/98/46/34/351984634.db2.gz GXYRMIHIGKEMNJ-CYBMUJFWSA-N 2 2 273.352 -0.131 20 0 CBADLP COCC[NH2+]CC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000165684455 351986915 /nfs/dbraw/zinc/98/69/15/351986915.db2.gz ALOQRFKBNBSTBR-ZDUSSCGKSA-N 2 2 285.388 -0.454 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1CSC[NH2+]1)C[NH+]1CCOCC1 ZINC000166600750 351987894 /nfs/dbraw/zinc/98/78/94/351987894.db2.gz BOVBYEFNIHBRDD-MNOVXSKESA-N 2 2 273.402 -0.267 20 0 CBADLP CC[C@H](C)[N@H+](C)CCNC(=O)CN1CC[NH2+]CC1=O ZINC000167199852 351988922 /nfs/dbraw/zinc/98/89/22/351988922.db2.gz ZCLNAYUOTRUGBP-NSHDSACASA-N 2 2 270.377 -0.735 20 0 CBADLP CC[C@H](C)[N@@H+](C)CCNC(=O)CN1CC[NH2+]CC1=O ZINC000167199852 351988925 /nfs/dbraw/zinc/98/89/25/351988925.db2.gz ZCLNAYUOTRUGBP-NSHDSACASA-N 2 2 270.377 -0.735 20 0 CBADLP C[C@H]([C@H](C)NC(=O)[C@@H]1CSC[NH2+]1)[NH+]1CCOCC1 ZINC000167695737 351990499 /nfs/dbraw/zinc/99/04/99/351990499.db2.gz JMWFWENXBFOGLJ-AXFHLTTASA-N 2 2 273.402 -0.126 20 0 CBADLP CCOCC[N@@H+]1CCN(C(=O)[C@@H]2COCC[NH2+]2)C[C@@H]1C ZINC000168035450 351992031 /nfs/dbraw/zinc/99/20/31/351992031.db2.gz QOGGWFYLZLAROW-STQMWFEESA-N 2 2 285.388 -0.456 20 0 CBADLP CCOCC[N@H+]1CCN(C(=O)[C@@H]2COCC[NH2+]2)C[C@@H]1C ZINC000168035450 351992034 /nfs/dbraw/zinc/99/20/34/351992034.db2.gz QOGGWFYLZLAROW-STQMWFEESA-N 2 2 285.388 -0.456 20 0 CBADLP CC[N@H+](C)C[C@@H]1CC[NH+](CCN2C(=O)CNC2=O)C1 ZINC000173890080 352041711 /nfs/dbraw/zinc/04/17/11/352041711.db2.gz BUWRXKVRURVKIM-NSHDSACASA-N 2 2 268.361 -0.188 20 0 CBADLP CC[N@@H+](C)C[C@@H]1CC[NH+](CCN2C(=O)CNC2=O)C1 ZINC000173890080 352041712 /nfs/dbraw/zinc/04/17/12/352041712.db2.gz BUWRXKVRURVKIM-NSHDSACASA-N 2 2 268.361 -0.188 20 0 CBADLP CC[NH+](C)C[C@@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC000173890080 352041713 /nfs/dbraw/zinc/04/17/13/352041713.db2.gz BUWRXKVRURVKIM-NSHDSACASA-N 2 2 268.361 -0.188 20 0 CBADLP CC[NH+](C)C[C@@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC000173890080 352041714 /nfs/dbraw/zinc/04/17/14/352041714.db2.gz BUWRXKVRURVKIM-NSHDSACASA-N 2 2 268.361 -0.188 20 0 CBADLP CC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)N2CCNC(=O)C2)C1 ZINC000173905160 352041910 /nfs/dbraw/zinc/04/19/10/352041910.db2.gz FBNMAQLZQMRXNV-LBPRGKRZSA-N 2 2 282.388 -0.782 20 0 CBADLP CC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)N2CCNC(=O)C2)C1 ZINC000173905160 352041912 /nfs/dbraw/zinc/04/19/12/352041912.db2.gz FBNMAQLZQMRXNV-LBPRGKRZSA-N 2 2 282.388 -0.782 20 0 CBADLP CC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000173905160 352041914 /nfs/dbraw/zinc/04/19/14/352041914.db2.gz FBNMAQLZQMRXNV-LBPRGKRZSA-N 2 2 282.388 -0.782 20 0 CBADLP CC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000173905160 352041918 /nfs/dbraw/zinc/04/19/18/352041918.db2.gz FBNMAQLZQMRXNV-LBPRGKRZSA-N 2 2 282.388 -0.782 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000174369749 352046808 /nfs/dbraw/zinc/04/68/08/352046808.db2.gz CTZFRTPIJXBTNK-GFCCVEGCSA-N 2 2 271.361 -0.845 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000174369749 352046811 /nfs/dbraw/zinc/04/68/11/352046811.db2.gz CTZFRTPIJXBTNK-GFCCVEGCSA-N 2 2 271.361 -0.845 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000174369728 352046820 /nfs/dbraw/zinc/04/68/20/352046820.db2.gz CTZFRTPIJXBTNK-LBPRGKRZSA-N 2 2 271.361 -0.845 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000174369728 352046822 /nfs/dbraw/zinc/04/68/22/352046822.db2.gz CTZFRTPIJXBTNK-LBPRGKRZSA-N 2 2 271.361 -0.845 20 0 CBADLP C[NH+](C)CC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000174562705 352047917 /nfs/dbraw/zinc/04/79/17/352047917.db2.gz AEAMEDKGHCJREV-LBPRGKRZSA-N 2 2 255.362 -0.129 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](CC3CC3)CC2)C1 ZINC000174700493 352049952 /nfs/dbraw/zinc/04/99/52/352049952.db2.gz ZLPGFUFGRXXJNJ-CYBMUJFWSA-N 2 2 267.373 -0.129 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](CC3CC3)CC2)C1 ZINC000174700493 352049955 /nfs/dbraw/zinc/04/99/55/352049955.db2.gz ZLPGFUFGRXXJNJ-CYBMUJFWSA-N 2 2 267.373 -0.129 20 0 CBADLP C[NH+](C)C1CC[NH+](CCNC(=O)CN2CCCC2=O)CC1 ZINC000177141917 352071027 /nfs/dbraw/zinc/07/10/27/352071027.db2.gz IEVWLRSDADFPCC-UHFFFAOYSA-N 2 2 296.415 -0.249 20 0 CBADLP C[C@H]1C[C@H]([NH+](C)Cc2cc(=O)n(C)c(=O)n2C)CC[N@@H+]1C ZINC000172848336 352030738 /nfs/dbraw/zinc/03/07/38/352030738.db2.gz XRRXUZGMWKXNNA-NWDGAFQWSA-N 2 2 294.399 -0.002 20 0 CBADLP C[C@H]1C[C@H]([NH+](C)Cc2cc(=O)n(C)c(=O)n2C)CC[N@H+]1C ZINC000172848336 352030743 /nfs/dbraw/zinc/03/07/43/352030743.db2.gz XRRXUZGMWKXNNA-NWDGAFQWSA-N 2 2 294.399 -0.002 20 0 CBADLP C[C@H]1C[C@H]([N@H+](C)Cc2cc(=O)n(C)c(=O)n2C)CC[NH+]1C ZINC000172848336 352030745 /nfs/dbraw/zinc/03/07/45/352030745.db2.gz XRRXUZGMWKXNNA-NWDGAFQWSA-N 2 2 294.399 -0.002 20 0 CBADLP C[C@H]1C[C@H]([N@@H+](C)Cc2cc(=O)n(C)c(=O)n2C)CC[NH+]1C ZINC000172848336 352030748 /nfs/dbraw/zinc/03/07/48/352030748.db2.gz XRRXUZGMWKXNNA-NWDGAFQWSA-N 2 2 294.399 -0.002 20 0 CBADLP C[C@@H]1C[C@H]([NH+](C)Cc2cc(=O)n(C)c(=O)n2C)CC[N@@H+]1C ZINC000172848331 352031547 /nfs/dbraw/zinc/03/15/47/352031547.db2.gz XRRXUZGMWKXNNA-VXGBXAGGSA-N 2 2 294.399 -0.002 20 0 CBADLP C[C@@H]1C[C@H]([NH+](C)Cc2cc(=O)n(C)c(=O)n2C)CC[N@H+]1C ZINC000172848331 352031549 /nfs/dbraw/zinc/03/15/49/352031549.db2.gz XRRXUZGMWKXNNA-VXGBXAGGSA-N 2 2 294.399 -0.002 20 0 CBADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cc(=O)n(C)c(=O)n2C)CC[NH+]1C ZINC000172848331 352031553 /nfs/dbraw/zinc/03/15/53/352031553.db2.gz XRRXUZGMWKXNNA-VXGBXAGGSA-N 2 2 294.399 -0.002 20 0 CBADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cc(=O)n(C)c(=O)n2C)CC[NH+]1C ZINC000172848331 352031556 /nfs/dbraw/zinc/03/15/56/352031556.db2.gz XRRXUZGMWKXNNA-VXGBXAGGSA-N 2 2 294.399 -0.002 20 0 CBADLP CN(CC[N@H+](C)C1CC1)C[C@H](O)C[NH+]1CCOCC1 ZINC000186752335 352131253 /nfs/dbraw/zinc/13/12/53/352131253.db2.gz VMZVTDHCYNTWEN-AWEZNQCLSA-N 2 2 271.405 -0.295 20 0 CBADLP CN(CC[N@@H+](C)C1CC1)C[C@H](O)C[NH+]1CCOCC1 ZINC000186752335 352131257 /nfs/dbraw/zinc/13/12/57/352131257.db2.gz VMZVTDHCYNTWEN-AWEZNQCLSA-N 2 2 271.405 -0.295 20 0 CBADLP C[C@H]1CN(C(=O)C[NH+](C)C)CC[N@@H+]1CC(C)(C)O ZINC000186860754 352133862 /nfs/dbraw/zinc/13/38/62/352133862.db2.gz KIAGNAUYNFMTBO-NSHDSACASA-N 2 2 257.378 -0.148 20 0 CBADLP C[C@H]1CN(C(=O)C[NH+](C)C)CC[N@H+]1CC(C)(C)O ZINC000186860754 352133868 /nfs/dbraw/zinc/13/38/68/352133868.db2.gz KIAGNAUYNFMTBO-NSHDSACASA-N 2 2 257.378 -0.148 20 0 CBADLP CC[NH+](CC)CC(=O)N1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC000178198142 352077938 /nfs/dbraw/zinc/07/79/38/352077938.db2.gz HBUMCMNOASOCLD-LBPRGKRZSA-N 2 2 282.388 -0.639 20 0 CBADLP CC1(C)C[N@H+](CCNC(=O)[C@H]2C[NH2+]CCO2)CCO1 ZINC000178744887 352082857 /nfs/dbraw/zinc/08/28/57/352082857.db2.gz BASZTPLOHWHLOH-LLVKDONJSA-N 2 2 271.361 -0.798 20 0 CBADLP CC1(C)C[N@@H+](CCNC(=O)[C@H]2C[NH2+]CCO2)CCO1 ZINC000178744887 352082860 /nfs/dbraw/zinc/08/28/60/352082860.db2.gz BASZTPLOHWHLOH-LLVKDONJSA-N 2 2 271.361 -0.798 20 0 CBADLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@H]1C[NH2+]CCO1 ZINC000178763878 352083940 /nfs/dbraw/zinc/08/39/40/352083940.db2.gz WJQXPZVHQQMPTB-LLVKDONJSA-N 2 2 271.361 -0.798 20 0 CBADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@H]1C[NH2+]CCO1 ZINC000178763878 352083943 /nfs/dbraw/zinc/08/39/43/352083943.db2.gz WJQXPZVHQQMPTB-LLVKDONJSA-N 2 2 271.361 -0.798 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1CCC[NH2+]C1)[NH+]1CCN(C)CC1 ZINC000178880575 352084588 /nfs/dbraw/zinc/08/45/88/352084588.db2.gz FZKYIGFZKNFXOR-CHWSQXEVSA-N 2 2 268.405 -0.262 20 0 CBADLP CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@H]2COCC[NH2+]2)CC1 ZINC000178877866 352084613 /nfs/dbraw/zinc/08/46/13/352084613.db2.gz YJKOMYSGYVLWIH-UONOGXRCSA-N 2 2 298.431 -0.635 20 0 CBADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)[C@H]2COCC[NH2+]2)CC1 ZINC000178877866 352084616 /nfs/dbraw/zinc/08/46/16/352084616.db2.gz YJKOMYSGYVLWIH-UONOGXRCSA-N 2 2 298.431 -0.635 20 0 CBADLP CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000178877842 352084696 /nfs/dbraw/zinc/08/46/96/352084696.db2.gz YJKOMYSGYVLWIH-KBPBESRZSA-N 2 2 298.431 -0.635 20 0 CBADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000178877842 352084699 /nfs/dbraw/zinc/08/46/99/352084699.db2.gz YJKOMYSGYVLWIH-KBPBESRZSA-N 2 2 298.431 -0.635 20 0 CBADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)[C@H](C)[NH3+])CC1 ZINC000178855675 352084806 /nfs/dbraw/zinc/08/48/06/352084806.db2.gz BZWNMEBTXFLXIE-NWDGAFQWSA-N 2 2 282.388 -0.511 20 0 CBADLP CCN1CC[NH+](C[C@H](C)CNC(=O)[C@H]2COCC[NH2+]2)CC1 ZINC000178877877 352084885 /nfs/dbraw/zinc/08/48/85/352084885.db2.gz YJKOMYSGYVLWIH-ZIAGYGMSSA-N 2 2 298.431 -0.635 20 0 CBADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@H]2COCC[NH2+]2)CC1 ZINC000178877877 352084887 /nfs/dbraw/zinc/08/48/87/352084887.db2.gz YJKOMYSGYVLWIH-ZIAGYGMSSA-N 2 2 298.431 -0.635 20 0 CBADLP C[C@H](CNC(=O)[C@H]1CCC[NH2+]C1)[NH+]1CCN(C)CC1 ZINC000178880590 352084920 /nfs/dbraw/zinc/08/49/20/352084920.db2.gz FZKYIGFZKNFXOR-OLZOCXBDSA-N 2 2 268.405 -0.262 20 0 CBADLP O=C([C@H]1CSC[NH2+]1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178844994 352084927 /nfs/dbraw/zinc/08/49/27/352084927.db2.gz ZGZZTLUXVQSFTP-VXGBXAGGSA-N 2 2 285.413 -0.170 20 0 CBADLP CC[NH+](CC)CC(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178968002 352086620 /nfs/dbraw/zinc/08/66/20/352086620.db2.gz LGQYLGPKQLVOCC-GFCCVEGCSA-N 2 2 254.378 -0.556 20 0 CBADLP COCC[C@@H](C)[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181023368 352097437 /nfs/dbraw/zinc/09/74/37/352097437.db2.gz UOESLMYLVJYKIZ-KGLIPLIRSA-N 2 2 299.415 -0.066 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000188722725 352157478 /nfs/dbraw/zinc/15/74/78/352157478.db2.gz YKBJCYLAHVAJBQ-SNVBAGLBSA-N 2 2 293.371 -0.494 20 0 CBADLP COCC[N@@H+]1CCN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)C[C@H]1C ZINC000188762171 352158091 /nfs/dbraw/zinc/15/80/91/352158091.db2.gz QWXYIEVQBZSJQX-GRYCIOLGSA-N 2 2 273.352 -0.135 20 0 CBADLP COCC[N@H+]1CCN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)C[C@H]1C ZINC000188762171 352158095 /nfs/dbraw/zinc/15/80/95/352158095.db2.gz QWXYIEVQBZSJQX-GRYCIOLGSA-N 2 2 273.352 -0.135 20 0 CBADLP C[C@H]([C@H](C)NC(=O)[C@H]1C[C@H](F)C[NH2+]1)[NH+]1CCOCC1 ZINC000188759565 352158412 /nfs/dbraw/zinc/15/84/12/352158412.db2.gz GSLFDVTUNGCKOE-WHOHXGKFSA-N 2 2 273.352 -0.088 20 0 CBADLP C[C@@H]1CN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)C[C@H]1[NH+]1CCOCC1 ZINC000188791843 352159455 /nfs/dbraw/zinc/15/94/55/352159455.db2.gz JSLFQYQRHCEGBY-YVECIDJPSA-N 2 2 285.363 -0.135 20 0 CBADLP COC(=O)[C@@H]1[C@H](O)CCC[N@@H+]1CCn1cc[nH+]c1 ZINC000189585250 352171919 /nfs/dbraw/zinc/17/19/19/352171919.db2.gz HDAYCYHXVSENAQ-MNOVXSKESA-N 2 2 253.302 -0.119 20 0 CBADLP COC(=O)[C@@H]1[C@H](O)CCC[N@H+]1CCn1cc[nH+]c1 ZINC000189585250 352171922 /nfs/dbraw/zinc/17/19/22/352171922.db2.gz HDAYCYHXVSENAQ-MNOVXSKESA-N 2 2 253.302 -0.119 20 0 CBADLP COCCC[N@H+](CCO)CC(=O)N1CC[NH+](C)CC1 ZINC000189890597 352175276 /nfs/dbraw/zinc/17/52/76/352175276.db2.gz ZHRJIUHFSFHGTC-UHFFFAOYSA-N 2 2 273.377 -0.909 20 0 CBADLP COCCC[N@@H+](CCO)CC(=O)N1CC[NH+](C)CC1 ZINC000189890597 352175279 /nfs/dbraw/zinc/17/52/79/352175279.db2.gz ZHRJIUHFSFHGTC-UHFFFAOYSA-N 2 2 273.377 -0.909 20 0 CBADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C1(CO)CCOCC1 ZINC000190995791 352185900 /nfs/dbraw/zinc/18/59/00/352185900.db2.gz YUDSSKKRHGIMMQ-UHFFFAOYSA-N 2 2 285.388 -0.766 20 0 CBADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C1(CO)CCOCC1 ZINC000190995791 352185906 /nfs/dbraw/zinc/18/59/06/352185906.db2.gz YUDSSKKRHGIMMQ-UHFFFAOYSA-N 2 2 285.388 -0.766 20 0 CBADLP O=C1NC(=O)[C@]2(CCC[N@H+](CCCn3cc[nH+]c3)C2)N1 ZINC000192683773 352199021 /nfs/dbraw/zinc/19/90/21/352199021.db2.gz BKKPHRMHMOISLN-CYBMUJFWSA-N 2 2 277.328 -0.053 20 0 CBADLP O=C1NC(=O)[C@]2(CCC[N@@H+](CCCn3cc[nH+]c3)C2)N1 ZINC000192683773 352199026 /nfs/dbraw/zinc/19/90/26/352199026.db2.gz BKKPHRMHMOISLN-CYBMUJFWSA-N 2 2 277.328 -0.053 20 0 CBADLP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000192091209 352195871 /nfs/dbraw/zinc/19/58/71/352195871.db2.gz DTEXLBNBYJECRK-SRVKXCTJSA-N 2 2 296.415 -0.219 20 0 CBADLP Cn1cc(C[NH2+]C[C@H]2CCC[N@@H+]2C)c(=O)n(C)c1=O ZINC000221140801 352240142 /nfs/dbraw/zinc/24/01/42/352240142.db2.gz SVAXVBOEGAGGQR-LLVKDONJSA-N 2 2 266.345 -0.732 20 0 CBADLP Cn1cc(C[NH2+]C[C@H]2CCC[N@H+]2C)c(=O)n(C)c1=O ZINC000221140801 352240145 /nfs/dbraw/zinc/24/01/45/352240145.db2.gz SVAXVBOEGAGGQR-LLVKDONJSA-N 2 2 266.345 -0.732 20 0 CBADLP C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193620169 352207460 /nfs/dbraw/zinc/20/74/60/352207460.db2.gz ATYSNEQIFIUCAR-GARJFASQSA-N 2 2 280.372 -0.144 20 0 CBADLP C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193620169 352207464 /nfs/dbraw/zinc/20/74/64/352207464.db2.gz ATYSNEQIFIUCAR-GARJFASQSA-N 2 2 280.372 -0.144 20 0 CBADLP C[C@@H](C(=O)NC(=O)NC1CC1)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193620169 352207466 /nfs/dbraw/zinc/20/74/66/352207466.db2.gz ATYSNEQIFIUCAR-GARJFASQSA-N 2 2 280.372 -0.144 20 0 CBADLP C[C@@H](C(=O)NC(=O)NC1CC1)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193620169 352207469 /nfs/dbraw/zinc/20/74/69/352207469.db2.gz ATYSNEQIFIUCAR-GARJFASQSA-N 2 2 280.372 -0.144 20 0 CBADLP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2nnn(C)n2)CC1 ZINC000194435068 352215457 /nfs/dbraw/zinc/21/54/57/352215457.db2.gz ICGRSKAWMSYQTI-LLVKDONJSA-N 2 2 282.392 -0.265 20 0 CBADLP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2nnn(C)n2)CC1 ZINC000194435068 352215459 /nfs/dbraw/zinc/21/54/59/352215459.db2.gz ICGRSKAWMSYQTI-LLVKDONJSA-N 2 2 282.392 -0.265 20 0 CBADLP CN1CC[N@H+](C)[C@@H](CNC(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000225356028 352247044 /nfs/dbraw/zinc/24/70/44/352247044.db2.gz FAOXJPHZWKMHLV-RYUDHWBXSA-N 2 2 254.378 -0.510 20 0 CBADLP CN1CC[N@@H+](C)[C@@H](CNC(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000225356028 352247047 /nfs/dbraw/zinc/24/70/47/352247047.db2.gz FAOXJPHZWKMHLV-RYUDHWBXSA-N 2 2 254.378 -0.510 20 0 CBADLP O=C(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)NC[C@@H]1CCCO1 ZINC000225332766 352247785 /nfs/dbraw/zinc/24/77/85/352247785.db2.gz IBUDVMTZZZOZAL-SRVKXCTJSA-N 2 2 253.346 -0.567 20 0 CBADLP C[NH+]1CCN(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000243530760 352316252 /nfs/dbraw/zinc/31/62/52/352316252.db2.gz ODFSUVJNCGGOES-UHFFFAOYSA-N 2 2 270.377 -0.334 20 0 CBADLP CO[C@H](C[NH3+])CC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000232113023 352278773 /nfs/dbraw/zinc/27/87/73/352278773.db2.gz CWQGMKZLHSJWBD-MNOVXSKESA-N 2 2 259.350 -0.813 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CCO[C@H]2C2CC2)CC1 ZINC000234380584 352282644 /nfs/dbraw/zinc/28/26/44/352282644.db2.gz PHORTMBMPSUAOJ-JSGCOSHPSA-N 2 2 267.373 -0.083 20 0 CBADLP CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1COCC[NH2+]1 ZINC000236826675 352293697 /nfs/dbraw/zinc/29/36/97/352293697.db2.gz ZRIQKLQMGNDLGQ-RYUDHWBXSA-N 2 2 255.362 -0.035 20 0 CBADLP CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1COCC[NH2+]1 ZINC000236826675 352293699 /nfs/dbraw/zinc/29/36/99/352293699.db2.gz ZRIQKLQMGNDLGQ-RYUDHWBXSA-N 2 2 255.362 -0.035 20 0 CBADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000236778186 352294230 /nfs/dbraw/zinc/29/42/30/352294230.db2.gz CUBYDUYZSCRGHU-STQMWFEESA-N 2 2 285.388 -0.552 20 0 CBADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000236778186 352294235 /nfs/dbraw/zinc/29/42/35/352294235.db2.gz CUBYDUYZSCRGHU-STQMWFEESA-N 2 2 285.388 -0.552 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000245417056 352319577 /nfs/dbraw/zinc/31/95/77/352319577.db2.gz FRTTXWDNIJYTOM-UONOGXRCSA-N 2 2 297.399 -0.502 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000245417056 352319581 /nfs/dbraw/zinc/31/95/81/352319581.db2.gz FRTTXWDNIJYTOM-UONOGXRCSA-N 2 2 297.399 -0.502 20 0 CBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C[NH3+])CC1 ZINC000237025106 352297819 /nfs/dbraw/zinc/29/78/19/352297819.db2.gz WPOWFFVJKSVTJU-UHFFFAOYSA-N 2 2 270.377 -0.652 20 0 CBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C[NH3+])CC1 ZINC000237025106 352297820 /nfs/dbraw/zinc/29/78/20/352297820.db2.gz WPOWFFVJKSVTJU-UHFFFAOYSA-N 2 2 270.377 -0.652 20 0 CBADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1COCC[NH2+]1 ZINC000237092378 352298754 /nfs/dbraw/zinc/29/87/54/352298754.db2.gz BFPLEVMQVIKNPG-RYUDHWBXSA-N 2 2 271.361 -0.798 20 0 CBADLP COCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1COCC[NH2+]1 ZINC000237092378 352298757 /nfs/dbraw/zinc/29/87/57/352298757.db2.gz BFPLEVMQVIKNPG-RYUDHWBXSA-N 2 2 271.361 -0.798 20 0 CBADLP C[NH2+]Cc1ccccc1NC(=O)CN1CC[NH2+]CC1=O ZINC000237126023 352299589 /nfs/dbraw/zinc/29/95/89/352299589.db2.gz XUOTYXDZWJJSGY-UHFFFAOYSA-N 2 2 276.340 -0.224 20 0 CBADLP C[NH2+]CC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000237188640 352301158 /nfs/dbraw/zinc/30/11/58/352301158.db2.gz IUWKZRKTHZTZGV-GFCCVEGCSA-N 2 2 255.362 -0.081 20 0 CBADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)CCC[NH3+])CC1 ZINC000237395448 352304134 /nfs/dbraw/zinc/30/41/34/352304134.db2.gz KGAJRSAFMSBMCX-CYBMUJFWSA-N 2 2 296.415 -0.120 20 0 CBADLP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C[C@H]1C ZINC000245421219 352320150 /nfs/dbraw/zinc/32/01/50/352320150.db2.gz HUUWLNROSIZVEU-FRRDWIJNSA-N 2 2 285.388 -0.770 20 0 CBADLP C[C@H](O)C[N@H+]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C[C@H]1C ZINC000245421219 352320154 /nfs/dbraw/zinc/32/01/54/352320154.db2.gz HUUWLNROSIZVEU-FRRDWIJNSA-N 2 2 285.388 -0.770 20 0 CBADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC000245421219 352320157 /nfs/dbraw/zinc/32/01/57/352320157.db2.gz HUUWLNROSIZVEU-FRRDWIJNSA-N 2 2 285.388 -0.770 20 0 CBADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC000245421219 352320160 /nfs/dbraw/zinc/32/01/60/352320160.db2.gz HUUWLNROSIZVEU-FRRDWIJNSA-N 2 2 285.388 -0.770 20 0 CBADLP C[C@@H]([NH3+])C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000237463372 352306244 /nfs/dbraw/zinc/30/62/44/352306244.db2.gz NGEMVWSANRUNSM-PWSUYJOCSA-N 2 2 273.402 -0.342 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1CCCC[NH2+]1)[NH+]1CCOCC1 ZINC000237570292 352306804 /nfs/dbraw/zinc/30/68/04/352306804.db2.gz BRPFRORBOXBHKY-RYUDHWBXSA-N 2 2 255.362 -0.035 20 0 CBADLP C[C@@H](CC[NH+]1CCOCC1)NC(=O)[C@H]1CSC[NH2+]1 ZINC000237554880 352307022 /nfs/dbraw/zinc/30/70/22/352307022.db2.gz JFZNPKHWJZKPAG-WDEREUQCSA-N 2 2 273.402 -0.124 20 0 CBADLP C[C@H](NC(=O)C[NH2+]C1CC1)[C@H](C)[NH+]1CCOCC1 ZINC000237631098 352308521 /nfs/dbraw/zinc/30/85/21/352308521.db2.gz XPVQZOKEZKTKBK-QWRGUYRKSA-N 2 2 255.362 -0.036 20 0 CBADLP [NH3+]CCC(=O)N1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000237847630 352310138 /nfs/dbraw/zinc/31/01/38/352310138.db2.gz YRMSNDINTLCGRE-UHFFFAOYSA-N 2 2 282.388 -0.508 20 0 CBADLP [NH3+]CCC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000237864281 352311196 /nfs/dbraw/zinc/31/11/96/352311196.db2.gz QWXTVCZINHNKPU-GFCCVEGCSA-N 2 2 273.402 -0.341 20 0 CBADLP [NH3+]C1(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000237924195 352311892 /nfs/dbraw/zinc/31/18/92/352311892.db2.gz IAOXZOQRCVQHMM-LBPRGKRZSA-N 2 2 285.413 -0.198 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2C[NH+](C3CC3)CCO2)C1 ZINC000245469708 352321444 /nfs/dbraw/zinc/32/14/44/352321444.db2.gz VLTGYXQPAWGRJC-QWHCGFSZSA-N 2 2 283.372 -0.704 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2C[NH+](C3CC3)CCO2)C1 ZINC000245469708 352321445 /nfs/dbraw/zinc/32/14/45/352321445.db2.gz VLTGYXQPAWGRJC-QWHCGFSZSA-N 2 2 283.372 -0.704 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)C1 ZINC000245469708 352321447 /nfs/dbraw/zinc/32/14/47/352321447.db2.gz VLTGYXQPAWGRJC-QWHCGFSZSA-N 2 2 283.372 -0.704 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)C1 ZINC000245469708 352321451 /nfs/dbraw/zinc/32/14/51/352321451.db2.gz VLTGYXQPAWGRJC-QWHCGFSZSA-N 2 2 283.372 -0.704 20 0 CBADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246225264 352330498 /nfs/dbraw/zinc/33/04/98/352330498.db2.gz RJLJBTXITXWSMS-QWRGUYRKSA-N 2 2 268.361 -0.013 20 0 CBADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246225264 352330502 /nfs/dbraw/zinc/33/05/02/352330502.db2.gz RJLJBTXITXWSMS-QWRGUYRKSA-N 2 2 268.361 -0.013 20 0 CBADLP C[C@@H]1CN(C(=O)[C@H]2CSC[NH2+]2)C[C@@H]1[NH+]1CCOCC1 ZINC000246531926 352334912 /nfs/dbraw/zinc/33/49/12/352334912.db2.gz RXMAFQJRQJIFFX-UTUOFQBUSA-N 2 2 285.413 -0.172 20 0 CBADLP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)N3CCNC3=O)CC[C@H]21 ZINC000247286430 352345094 /nfs/dbraw/zinc/34/50/94/352345094.db2.gz TWOFLYQSWSIHBJ-NWDGAFQWSA-N 2 2 280.372 -0.046 20 0 CBADLP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)N3CCNC3=O)CC[C@H]21 ZINC000247286430 352345095 /nfs/dbraw/zinc/34/50/95/352345095.db2.gz TWOFLYQSWSIHBJ-NWDGAFQWSA-N 2 2 280.372 -0.046 20 0 CBADLP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)N3CCNC3=O)CC[C@H]21 ZINC000247286430 352345097 /nfs/dbraw/zinc/34/50/97/352345097.db2.gz TWOFLYQSWSIHBJ-NWDGAFQWSA-N 2 2 280.372 -0.046 20 0 CBADLP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)N3CCNC3=O)CC[C@H]21 ZINC000247286430 352345099 /nfs/dbraw/zinc/34/50/99/352345099.db2.gz TWOFLYQSWSIHBJ-NWDGAFQWSA-N 2 2 280.372 -0.046 20 0 CBADLP COC(=O)CNC(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000248201854 352350415 /nfs/dbraw/zinc/35/04/15/352350415.db2.gz YYZGEVRDAJSXJD-VXGBXAGGSA-N 2 2 283.372 -0.308 20 0 CBADLP COC(=O)CNC(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000248201854 352350417 /nfs/dbraw/zinc/35/04/17/352350417.db2.gz YYZGEVRDAJSXJD-VXGBXAGGSA-N 2 2 283.372 -0.308 20 0 CBADLP COC(=O)CNC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000248201854 352350418 /nfs/dbraw/zinc/35/04/18/352350418.db2.gz YYZGEVRDAJSXJD-VXGBXAGGSA-N 2 2 283.372 -0.308 20 0 CBADLP COC(=O)CNC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000248201854 352350420 /nfs/dbraw/zinc/35/04/20/352350420.db2.gz YYZGEVRDAJSXJD-VXGBXAGGSA-N 2 2 283.372 -0.308 20 0 CBADLP CCNS(=O)(=O)[C@H]1CC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261880835 352399476 /nfs/dbraw/zinc/39/94/76/352399476.db2.gz QYDPLIGPAXOSRD-RYUDHWBXSA-N 2 2 275.418 0.000 20 0 CBADLP CCNS(=O)(=O)[C@H]1CC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261880835 352399477 /nfs/dbraw/zinc/39/94/77/352399477.db2.gz QYDPLIGPAXOSRD-RYUDHWBXSA-N 2 2 275.418 0.000 20 0 CBADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)CC[C@H]2CC[NH2+]C2)CC1 ZINC000261907470 352399737 /nfs/dbraw/zinc/39/97/37/352399737.db2.gz VXTFBUYYKQQMAA-LBPRGKRZSA-N 2 2 296.415 -0.216 20 0 CBADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]C[C@@H](O)C(F)(F)F ZINC000250418909 352372318 /nfs/dbraw/zinc/37/23/18/352372318.db2.gz YRWAQQUPLWAHHO-RKDXNWHRSA-N 2 2 255.284 -0.255 20 0 CBADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]C[C@@H](O)C(F)(F)F ZINC000250418909 352372322 /nfs/dbraw/zinc/37/23/22/352372322.db2.gz YRWAQQUPLWAHHO-RKDXNWHRSA-N 2 2 255.284 -0.255 20 0 CBADLP CN1CC[N@H+](C)[C@@H](CNC(=O)C[C@H]2CSCC[NH2+]2)C1 ZINC000250412112 352372450 /nfs/dbraw/zinc/37/24/50/352372450.db2.gz WSLCLIAHWUGMMX-RYUDHWBXSA-N 2 2 286.445 -0.557 20 0 CBADLP CN1CC[N@@H+](C)[C@@H](CNC(=O)C[C@H]2CSCC[NH2+]2)C1 ZINC000250412112 352372452 /nfs/dbraw/zinc/37/24/52/352372452.db2.gz WSLCLIAHWUGMMX-RYUDHWBXSA-N 2 2 286.445 -0.557 20 0 CBADLP CC(C[NH+]1CCC[C@H]1C(N)=O)C[N@@H+]1CCC[C@H]1C(N)=O ZINC000251117094 352374459 /nfs/dbraw/zinc/37/44/59/352374459.db2.gz QEHRIJZPWHPAPJ-RYUDHWBXSA-N 2 2 282.388 -0.478 20 0 CBADLP CC(C[NH+]1CCC[C@H]1C(N)=O)C[N@H+]1CCC[C@H]1C(N)=O ZINC000251117094 352374461 /nfs/dbraw/zinc/37/44/61/352374461.db2.gz QEHRIJZPWHPAPJ-RYUDHWBXSA-N 2 2 282.388 -0.478 20 0 CBADLP COCCCNC(=O)[C@H](C)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000252453706 352377750 /nfs/dbraw/zinc/37/77/50/352377750.db2.gz RYXISBQCNAIJGI-SRVKXCTJSA-N 2 2 255.362 -0.321 20 0 CBADLP C[C@@]1(C[NH3+])CC[N@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000261569938 352388149 /nfs/dbraw/zinc/38/81/49/352388149.db2.gz KDPYXKDTGRTZGF-LBPRGKRZSA-N 2 2 254.334 -0.355 20 0 CBADLP C[C@@]1(C[NH3+])CC[N@@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000261569938 352388152 /nfs/dbraw/zinc/38/81/52/352388152.db2.gz KDPYXKDTGRTZGF-LBPRGKRZSA-N 2 2 254.334 -0.355 20 0 CBADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261589859 352389792 /nfs/dbraw/zinc/38/97/92/352389792.db2.gz LBDUYNRSGATYNQ-GXFFZTMASA-N 2 2 268.361 -0.094 20 0 CBADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261589859 352389795 /nfs/dbraw/zinc/38/97/95/352389795.db2.gz LBDUYNRSGATYNQ-GXFFZTMASA-N 2 2 268.361 -0.094 20 0 CBADLP CCCNC(=O)NC(=O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261597952 352390596 /nfs/dbraw/zinc/39/05/96/352390596.db2.gz PEKBHSPUPZQUMF-GHMZBOCLSA-N 2 2 268.361 -0.237 20 0 CBADLP CCCNC(=O)NC(=O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261597952 352390599 /nfs/dbraw/zinc/39/05/99/352390599.db2.gz PEKBHSPUPZQUMF-GHMZBOCLSA-N 2 2 268.361 -0.237 20 0 CBADLP CCCNC(=O)NC(=O)C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261596628 352391346 /nfs/dbraw/zinc/39/13/46/352391346.db2.gz AIUVNHXDMSQRBV-LBPRGKRZSA-N 2 2 297.403 -0.798 20 0 CBADLP CC(=O)N1CCN(C(=O)C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000261622700 352391509 /nfs/dbraw/zinc/39/15/09/352391509.db2.gz GRGVDMXDHXPJPK-KGLIPLIRSA-N 2 2 294.399 -0.639 20 0 CBADLP CC(=O)N1CCN(C(=O)C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000261622700 352391513 /nfs/dbraw/zinc/39/15/13/352391513.db2.gz GRGVDMXDHXPJPK-KGLIPLIRSA-N 2 2 294.399 -0.639 20 0 CBADLP CCCNC(=O)NC(=O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261619098 352392248 /nfs/dbraw/zinc/39/22/48/352392248.db2.gz UKEVHICLRZFHGK-WDEREUQCSA-N 2 2 268.361 -0.094 20 0 CBADLP CCCNC(=O)NC(=O)C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261619098 352392249 /nfs/dbraw/zinc/39/22/49/352392249.db2.gz UKEVHICLRZFHGK-WDEREUQCSA-N 2 2 268.361 -0.094 20 0 CBADLP O=C(C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1)N1CCCCC1 ZINC000261657567 352392956 /nfs/dbraw/zinc/39/29/56/352392956.db2.gz DVLRWVVZJAEDCU-AWEZNQCLSA-N 2 2 280.416 -0.022 20 0 CBADLP Cn1c(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc(=O)n(C)c1=O ZINC000261691765 352393873 /nfs/dbraw/zinc/39/38/73/352393873.db2.gz HPDQAWXZKRVKSS-PWSUYJOCSA-N 2 2 278.356 -0.732 20 0 CBADLP Cn1c(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc(=O)n(C)c1=O ZINC000261691765 352393877 /nfs/dbraw/zinc/39/38/77/352393877.db2.gz HPDQAWXZKRVKSS-PWSUYJOCSA-N 2 2 278.356 -0.732 20 0 CBADLP COC[C@@H](C)NC(=O)NC(=O)C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261747111 352395364 /nfs/dbraw/zinc/39/53/64/352395364.db2.gz PVLNIDBKXKDAJA-MFKMUULPSA-N 2 2 286.376 -0.482 20 0 CBADLP COC[C@@H](C)NC(=O)NC(=O)C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261747111 352395368 /nfs/dbraw/zinc/39/53/68/352395368.db2.gz PVLNIDBKXKDAJA-MFKMUULPSA-N 2 2 286.376 -0.482 20 0 CBADLP CCNC(=O)NC(=O)[C@H](C)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261766636 352396769 /nfs/dbraw/zinc/39/67/69/352396769.db2.gz VMKNHWNIHCEWNV-NWDGAFQWSA-N 2 2 297.403 -0.800 20 0 CBADLP C[C@H](O)C(=O)N1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000261877513 352398993 /nfs/dbraw/zinc/39/89/93/352398993.db2.gz QIAJFBJTMHBNDJ-WCQYABFASA-N 2 2 255.362 -0.489 20 0 CBADLP C[C@H]([C@H](C)NC(=O)C[C@H]1COCC[NH2+]1)[NH+]1CCOCC1 ZINC000262335240 352416093 /nfs/dbraw/zinc/41/60/93/352416093.db2.gz HEZTVGBKMUKUCO-XQQFMLRXSA-N 2 2 285.388 -0.410 20 0 CBADLP O=C(c1cc([C@@H]2CC[NH2+]C2)n[nH]1)N1CC[NH+](CCO)CC1 ZINC000262362418 352418522 /nfs/dbraw/zinc/41/85/22/352418522.db2.gz KNSYPOAJPQDZEG-LLVKDONJSA-N 2 2 293.371 -0.763 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C[C@H]1COCC[NH2+]1 ZINC000262466299 352422376 /nfs/dbraw/zinc/42/23/76/352422376.db2.gz XWBHSTLSCAOMKD-RYUDHWBXSA-N 2 2 271.361 -0.798 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)C[C@H]1COCC[NH2+]1 ZINC000262466299 352422377 /nfs/dbraw/zinc/42/23/77/352422377.db2.gz XWBHSTLSCAOMKD-RYUDHWBXSA-N 2 2 271.361 -0.798 20 0 CBADLP CC(C)OCC[NH+]1CCN(C(=O)C[C@H]2COCC[NH2+]2)CC1 ZINC000262451777 352422627 /nfs/dbraw/zinc/42/26/27/352422627.db2.gz WCVAEDQUKIAIJT-AWEZNQCLSA-N 2 2 299.415 -0.066 20 0 CBADLP C[C@@H](CNC(=O)C[C@H]1COCC[NH2+]1)[NH+]1CCOCC1 ZINC000262484123 352423471 /nfs/dbraw/zinc/42/34/71/352423471.db2.gz ZXIOCVAJEPAJKW-RYUDHWBXSA-N 2 2 271.361 -0.798 20 0 CBADLP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)C[C@@H]1C ZINC000263299114 352442071 /nfs/dbraw/zinc/44/20/71/352442071.db2.gz WVCKVUXVNXCPRM-GARJFASQSA-N 2 2 291.342 -0.103 20 0 CBADLP C[C@H](O)C[N@H+]1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)C[C@@H]1C ZINC000263299114 352442073 /nfs/dbraw/zinc/44/20/73/352442073.db2.gz WVCKVUXVNXCPRM-GARJFASQSA-N 2 2 291.342 -0.103 20 0 CBADLP CN(C)c1[nH+]cccc1CNC(=O)[C@@H]1COCC[NH2+]1 ZINC000262664702 352430031 /nfs/dbraw/zinc/43/00/31/352430031.db2.gz INTQFCHVBSCWOO-NSHDSACASA-N 2 2 264.329 -0.248 20 0 CBADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1COCC[NH2+]1 ZINC000262663111 352430757 /nfs/dbraw/zinc/43/07/57/352430757.db2.gz ZRIQKLQMGNDLGQ-VXGBXAGGSA-N 2 2 255.362 -0.035 20 0 CBADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1COCC[NH2+]1 ZINC000262663111 352430758 /nfs/dbraw/zinc/43/07/58/352430758.db2.gz ZRIQKLQMGNDLGQ-VXGBXAGGSA-N 2 2 255.362 -0.035 20 0 CBADLP COCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263183162 352438736 /nfs/dbraw/zinc/43/87/36/352438736.db2.gz GYQRBLTTYKKDSL-NXEZZACHSA-N 2 2 277.315 -0.180 20 0 CBADLP COCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263183162 352438739 /nfs/dbraw/zinc/43/87/39/352438739.db2.gz GYQRBLTTYKKDSL-NXEZZACHSA-N 2 2 277.315 -0.180 20 0 CBADLP COCC[N@H+](C)CCNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263146570 352439036 /nfs/dbraw/zinc/43/90/36/352439036.db2.gz CSHQMWYAPVPIKA-VIFPVBQESA-N 2 2 265.304 -0.322 20 0 CBADLP COCC[N@@H+](C)CCNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263146570 352439038 /nfs/dbraw/zinc/43/90/38/352439038.db2.gz CSHQMWYAPVPIKA-VIFPVBQESA-N 2 2 265.304 -0.322 20 0 CBADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263245729 352439622 /nfs/dbraw/zinc/43/96/22/352439622.db2.gz PFYYACHLHPNASM-QWRGUYRKSA-N 2 2 290.358 -0.264 20 0 CBADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263245726 352440450 /nfs/dbraw/zinc/44/04/50/352440450.db2.gz PFYYACHLHPNASM-MNOVXSKESA-N 2 2 290.358 -0.264 20 0 CBADLP O=C(CC[N@H+](C1CC1)[C@@H]1CC[NH2+]C1)N1CC[NH2+]CC1 ZINC000261967836 352401750 /nfs/dbraw/zinc/40/17/50/352401750.db2.gz BDQGOURCNKBTNJ-CYBMUJFWSA-N 3 2 266.389 -0.365 20 0 CBADLP O=C(CC[N@@H+](C1CC1)[C@@H]1CC[NH2+]C1)N1CC[NH2+]CC1 ZINC000261967836 352401753 /nfs/dbraw/zinc/40/17/53/352401753.db2.gz BDQGOURCNKBTNJ-CYBMUJFWSA-N 3 2 266.389 -0.365 20 0 CBADLP Cn1cc(C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])nn1 ZINC000261969859 352402390 /nfs/dbraw/zinc/40/23/90/352402390.db2.gz IAUMBZILFMUUER-GFCCVEGCSA-N 2 2 280.376 -0.365 20 0 CBADLP Cn1cc(C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])nn1 ZINC000261969859 352402394 /nfs/dbraw/zinc/40/23/94/352402394.db2.gz IAUMBZILFMUUER-GFCCVEGCSA-N 2 2 280.376 -0.365 20 0 CBADLP O=C(C[C@H]1COCC[NH2+]1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000262028610 352404391 /nfs/dbraw/zinc/40/43/91/352404391.db2.gz BEEISXRQHLGNAN-UONOGXRCSA-N 2 2 297.399 -0.312 20 0 CBADLP Cc1[nH+]ccn1CCC[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC000269131712 352462061 /nfs/dbraw/zinc/46/20/61/352462061.db2.gz LOWYQJPBQOJYKR-NSHDSACASA-N 2 2 252.318 -0.232 20 0 CBADLP Cc1[nH+]ccn1CCC[N@H+]1CCO[C@H](C(N)=O)C1 ZINC000269131712 352462070 /nfs/dbraw/zinc/46/20/70/352462070.db2.gz LOWYQJPBQOJYKR-NSHDSACASA-N 2 2 252.318 -0.232 20 0 CBADLP Cc1ccn2cc(CNC(=O)[C@@H]3C[C@@H](O)C[NH2+]3)[nH+]c2c1 ZINC000269231940 352463941 /nfs/dbraw/zinc/46/39/41/352463941.db2.gz DOKVELGYVLDKRB-NEPJUHHUSA-N 2 2 274.324 -0.018 20 0 CBADLP O=C(NCc1cn2ccccc2[nH+]1)[C@H]1COCC[NH2+]1 ZINC000269230796 352464175 /nfs/dbraw/zinc/46/41/75/352464175.db2.gz HWWTVMZDAILLIT-LLVKDONJSA-N 2 2 260.297 -0.061 20 0 CBADLP Cc1ccn2cc(CNC(=O)[C@H]3C[C@@H](O)C[NH2+]3)[nH+]c2c1 ZINC000269231950 352464190 /nfs/dbraw/zinc/46/41/90/352464190.db2.gz DOKVELGYVLDKRB-VXGBXAGGSA-N 2 2 274.324 -0.018 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000269687393 352479010 /nfs/dbraw/zinc/47/90/10/352479010.db2.gz IDLHNZCRPWUIFF-WCQYABFASA-N 2 2 283.376 -0.117 20 0 CBADLP CC[N@H+](CCO)CCNC(=O)NCc1[nH+]ccn1C ZINC000274648551 352542343 /nfs/dbraw/zinc/54/23/43/352542343.db2.gz KYHMNVSPIYBYFQ-UHFFFAOYSA-N 2 2 269.349 -0.467 20 0 CBADLP CC[N@@H+](CCO)CCNC(=O)NCc1[nH+]ccn1C ZINC000274648551 352542347 /nfs/dbraw/zinc/54/23/47/352542347.db2.gz KYHMNVSPIYBYFQ-UHFFFAOYSA-N 2 2 269.349 -0.467 20 0 CBADLP C[NH+](C)CC(=O)N1CCN(CCn2cc[nH+]c2)CC1 ZINC000270815481 352501836 /nfs/dbraw/zinc/50/18/36/352501836.db2.gz IJWDXIUBBUOUND-UHFFFAOYSA-N 2 2 265.361 -0.411 20 0 CBADLP Cc1[nH+]ccn1CC[N@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000270907575 352505075 /nfs/dbraw/zinc/50/50/75/352505075.db2.gz SISXKDPUZYAGDM-KOLCDFICSA-N 2 2 252.318 -0.234 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)NCCCn2cc[nH+]c2)CC1 ZINC000283077682 352617371 /nfs/dbraw/zinc/61/73/71/352617371.db2.gz CEGZVRHQEKIRAH-UHFFFAOYSA-N 2 2 293.371 -0.447 20 0 CBADLP CO[C@@H](C[NH3+])C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000290069944 352671375 /nfs/dbraw/zinc/67/13/75/352671375.db2.gz VGRMDUMJLIDASM-JTQLQIEISA-N 2 2 252.318 -0.263 20 0 CBADLP C[NH+](C)CC(=O)N1CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000283511269 352626025 /nfs/dbraw/zinc/62/60/25/352626025.db2.gz PUULUPKWLLWOOP-ONEGZZNKSA-N 2 2 291.355 -0.345 20 0 CBADLP C[N@@H+](CC(=O)NCCCc1ccccc1)C[C@H](O)C[NH3+] ZINC000313514142 352777519 /nfs/dbraw/zinc/77/75/19/352777519.db2.gz KQCSIQJXJBJGAI-CQSZACIVSA-N 2 2 279.384 -0.013 20 0 CBADLP C[N@H+](CC(=O)NCCCc1ccccc1)C[C@H](O)C[NH3+] ZINC000313514142 352777522 /nfs/dbraw/zinc/77/75/22/352777522.db2.gz KQCSIQJXJBJGAI-CQSZACIVSA-N 2 2 279.384 -0.013 20 0 CBADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCCCO)CC1 ZINC000305697241 352749505 /nfs/dbraw/zinc/74/95/05/352749505.db2.gz OQQFJWHLNAYBDQ-UHFFFAOYSA-N 2 2 272.393 -0.306 20 0 CBADLP CNC(=O)[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)CCOC)C1 ZINC000312643553 352776356 /nfs/dbraw/zinc/77/63/56/352776356.db2.gz XNEIQLXNOLOTKX-OLZOCXBDSA-N 2 2 287.404 -0.617 20 0 CBADLP CNC(=O)[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)CCOC)C1 ZINC000312643553 352776359 /nfs/dbraw/zinc/77/63/59/352776359.db2.gz XNEIQLXNOLOTKX-OLZOCXBDSA-N 2 2 287.404 -0.617 20 0 CBADLP CNC(=O)[C@@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)CCOC)C1 ZINC000312643553 352776363 /nfs/dbraw/zinc/77/63/63/352776363.db2.gz XNEIQLXNOLOTKX-OLZOCXBDSA-N 2 2 287.404 -0.617 20 0 CBADLP CNC(=O)[C@@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)CCOC)C1 ZINC000312643553 352776364 /nfs/dbraw/zinc/77/63/64/352776364.db2.gz XNEIQLXNOLOTKX-OLZOCXBDSA-N 2 2 287.404 -0.617 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCCN(C(C)=O)CC1 ZINC000311037499 352764946 /nfs/dbraw/zinc/76/49/46/352764946.db2.gz OJXXMLBSPLUYAP-ZDUSSCGKSA-N 2 2 257.378 -0.147 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCN(C(C)=O)CC1 ZINC000311037499 352764948 /nfs/dbraw/zinc/76/49/48/352764948.db2.gz OJXXMLBSPLUYAP-ZDUSSCGKSA-N 2 2 257.378 -0.147 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCCN(C(C)=O)CC1 ZINC000311037499 352764949 /nfs/dbraw/zinc/76/49/49/352764949.db2.gz OJXXMLBSPLUYAP-ZDUSSCGKSA-N 2 2 257.378 -0.147 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCCN(C(C)=O)CC1 ZINC000311037499 352764950 /nfs/dbraw/zinc/76/49/50/352764950.db2.gz OJXXMLBSPLUYAP-ZDUSSCGKSA-N 2 2 257.378 -0.147 20 0 CBADLP CO[C@@H]1C[N@H+](C[C@H](O)C[NH+](C)C2CC2)C[C@@H]1OC ZINC000311052823 352764979 /nfs/dbraw/zinc/76/49/79/352764979.db2.gz ILYRPERWAZCTIH-UPJWGTAASA-N 2 2 258.362 -0.213 20 0 CBADLP CO[C@@H]1C[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C[C@@H]1OC ZINC000311052823 352764981 /nfs/dbraw/zinc/76/49/81/352764981.db2.gz ILYRPERWAZCTIH-UPJWGTAASA-N 2 2 258.362 -0.213 20 0 CBADLP CO[C@@H]1C[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C[C@@H]1OC ZINC000311052823 352764985 /nfs/dbraw/zinc/76/49/85/352764985.db2.gz ILYRPERWAZCTIH-UPJWGTAASA-N 2 2 258.362 -0.213 20 0 CBADLP C[N@H+](C[C@@H](O)C[NH2+][C@@H]1CCCS(=O)(=O)C1)C1CC1 ZINC000311206938 352766723 /nfs/dbraw/zinc/76/67/23/352766723.db2.gz JSGOOVJUZNNGCI-PWSUYJOCSA-N 2 2 276.402 -0.392 20 0 CBADLP C[N@@H+](C[C@@H](O)C[NH2+][C@@H]1CCCS(=O)(=O)C1)C1CC1 ZINC000311206938 352766725 /nfs/dbraw/zinc/76/67/25/352766725.db2.gz JSGOOVJUZNNGCI-PWSUYJOCSA-N 2 2 276.402 -0.392 20 0 CBADLP COC[C@@]1(C(=O)NCC[NH+]2CCOCC2)CC[NH2+]C1 ZINC000311948257 352772190 /nfs/dbraw/zinc/77/21/90/352772190.db2.gz YROSMHBDVNYTSO-CYBMUJFWSA-N 2 2 271.361 -0.939 20 0 CBADLP C[C@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC[N@@H+]1CCO ZINC000330296791 352812376 /nfs/dbraw/zinc/81/23/76/352812376.db2.gz GMBWFNFFVBMSAH-QWHCGFSZSA-N 2 2 292.383 -0.030 20 0 CBADLP C[C@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC[N@H+]1CCO ZINC000330296791 352812377 /nfs/dbraw/zinc/81/23/77/352812377.db2.gz GMBWFNFFVBMSAH-QWHCGFSZSA-N 2 2 292.383 -0.030 20 0 CBADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000330364277 352813375 /nfs/dbraw/zinc/81/33/75/352813375.db2.gz IYSPKSJKPJJZBE-SNVBAGLBSA-N 2 2 258.347 -0.446 20 0 CBADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000330364277 352813378 /nfs/dbraw/zinc/81/33/78/352813378.db2.gz IYSPKSJKPJJZBE-SNVBAGLBSA-N 2 2 258.347 -0.446 20 0 CBADLP NS(=O)(=O)C[C@H]1CCC[N@@H+]1CCn1cc[nH+]c1 ZINC000330363991 352813634 /nfs/dbraw/zinc/81/36/34/352813634.db2.gz BLICFYVWLCXIQC-SNVBAGLBSA-N 2 2 258.347 -0.364 20 0 CBADLP NS(=O)(=O)C[C@H]1CCC[N@H+]1CCn1cc[nH+]c1 ZINC000330363991 352813637 /nfs/dbraw/zinc/81/36/37/352813637.db2.gz BLICFYVWLCXIQC-SNVBAGLBSA-N 2 2 258.347 -0.364 20 0 CBADLP O[C@@H](Cn1cccn1)C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000328602274 352783994 /nfs/dbraw/zinc/78/39/94/352783994.db2.gz GTPUIXOVROMIML-LSDHHAIUSA-N 2 2 294.399 -0.102 20 0 CBADLP O[C@@H](Cn1cccn1)C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000328602274 352783998 /nfs/dbraw/zinc/78/39/98/352783998.db2.gz GTPUIXOVROMIML-LSDHHAIUSA-N 2 2 294.399 -0.102 20 0 CBADLP C[N@@H+]1CCO[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]21 ZINC000329974566 352801501 /nfs/dbraw/zinc/80/15/01/352801501.db2.gz DDUDNDGPJWLICI-VXGBXAGGSA-N 2 2 264.329 -0.185 20 0 CBADLP C[N@H+]1CCO[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]21 ZINC000329974566 352801502 /nfs/dbraw/zinc/80/15/02/352801502.db2.gz DDUDNDGPJWLICI-VXGBXAGGSA-N 2 2 264.329 -0.185 20 0 CBADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000330954544 352859098 /nfs/dbraw/zinc/85/90/98/352859098.db2.gz AMZUNXQPTOXZIS-KGLIPLIRSA-N 2 2 299.415 -0.066 20 0 CBADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000330954544 352859100 /nfs/dbraw/zinc/85/91/00/352859100.db2.gz AMZUNXQPTOXZIS-KGLIPLIRSA-N 2 2 299.415 -0.066 20 0 CBADLP CCCC[NH+]1CCOC[C@H]1C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000330954544 352859101 /nfs/dbraw/zinc/85/91/01/352859101.db2.gz AMZUNXQPTOXZIS-KGLIPLIRSA-N 2 2 299.415 -0.066 20 0 CBADLP CCCC[NH+]1CCOC[C@H]1C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000330954544 352859103 /nfs/dbraw/zinc/85/91/03/352859103.db2.gz AMZUNXQPTOXZIS-KGLIPLIRSA-N 2 2 299.415 -0.066 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)NCC[NH+]2CCOC(C)(C)C2)[N@H+](C)C1 ZINC000330528132 352840121 /nfs/dbraw/zinc/84/01/21/352840121.db2.gz FDZRTKSZNOAKNQ-STQMWFEESA-N 2 2 299.415 -0.068 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)NCC[NH+]2CCOC(C)(C)C2)[N@@H+](C)C1 ZINC000330528132 352840124 /nfs/dbraw/zinc/84/01/24/352840124.db2.gz FDZRTKSZNOAKNQ-STQMWFEESA-N 2 2 299.415 -0.068 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)NCC[N@@H+]2CCOC(C)(C)C2)[NH+](C)C1 ZINC000330528132 352840130 /nfs/dbraw/zinc/84/01/30/352840130.db2.gz FDZRTKSZNOAKNQ-STQMWFEESA-N 2 2 299.415 -0.068 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)NCC[N@H+]2CCOC(C)(C)C2)[NH+](C)C1 ZINC000330528132 352840135 /nfs/dbraw/zinc/84/01/35/352840135.db2.gz FDZRTKSZNOAKNQ-STQMWFEESA-N 2 2 299.415 -0.068 20 0 CBADLP CO[C@H]1C[C@@H](C(N)=O)[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000330535080 352842366 /nfs/dbraw/zinc/84/23/66/352842366.db2.gz RTCUUSCRMPZWMG-RYUDHWBXSA-N 2 2 298.387 -0.225 20 0 CBADLP CO[C@H]1C[C@@H](C(N)=O)[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000330535080 352842367 /nfs/dbraw/zinc/84/23/67/352842367.db2.gz RTCUUSCRMPZWMG-RYUDHWBXSA-N 2 2 298.387 -0.225 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCC[C@H]2CCO)CC1 ZINC000330556048 352847848 /nfs/dbraw/zinc/84/78/48/352847848.db2.gz FNEUKFVGLCRZIW-QWHCGFSZSA-N 2 2 269.389 -0.099 20 0 CBADLP C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000331544312 352923476 /nfs/dbraw/zinc/92/34/76/352923476.db2.gz VYGRYSALSXEWTP-JTQLQIEISA-N 2 2 268.361 -0.901 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000332628242 352970775 /nfs/dbraw/zinc/97/07/75/352970775.db2.gz YJCBOFSMDQSISR-KBPBESRZSA-N 2 2 299.415 -0.208 20 0 CBADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CC[NH+](CCO)CC1)C2 ZINC000332591041 352968691 /nfs/dbraw/zinc/96/86/91/352968691.db2.gz NGRMZKZJDOUTET-CYBMUJFWSA-N 2 2 292.383 -0.110 20 0 CBADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CC(=O)NCC(=O)N1CCCC1 ZINC000333738351 353009365 /nfs/dbraw/zinc/00/93/65/353009365.db2.gz XFAPVYBESIGHPQ-JMSVASOKSA-N 2 2 296.415 -0.299 20 0 CBADLP O=C(NC[C@@H]1CCC[NH2+]1)NCC1([NH+]2CCOCC2)CC1 ZINC000333857751 353012506 /nfs/dbraw/zinc/01/25/06/353012506.db2.gz YQGRSTMWZPMGOO-LBPRGKRZSA-N 2 2 282.388 -0.098 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@@H]2COC[C@@H]2OC)CC1 ZINC000333869024 353012986 /nfs/dbraw/zinc/01/29/86/353012986.db2.gz OWGQMKJMDZRCHB-XQQFMLRXSA-N 2 2 285.388 -0.458 20 0 CBADLP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000333901663 353013746 /nfs/dbraw/zinc/01/37/46/353013746.db2.gz ZXOIMJSRWPYBEN-MQYQWHSLSA-N 2 2 294.399 -0.290 20 0 CBADLP C[N@H+](C[C@H](O)C[NH+]1CCC[C@H]1CS(N)(=O)=O)C1CC1 ZINC000336811061 353057998 /nfs/dbraw/zinc/05/79/98/353057998.db2.gz KXSGPHVWMPOUCH-RYUDHWBXSA-N 2 2 291.417 -0.806 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@H]1CS(N)(=O)=O)C1CC1 ZINC000336811061 353057999 /nfs/dbraw/zinc/05/79/99/353057999.db2.gz KXSGPHVWMPOUCH-RYUDHWBXSA-N 2 2 291.417 -0.806 20 0 CBADLP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@H]1CS(N)(=O)=O)C1CC1 ZINC000336811061 353058002 /nfs/dbraw/zinc/05/80/02/353058002.db2.gz KXSGPHVWMPOUCH-RYUDHWBXSA-N 2 2 291.417 -0.806 20 0 CBADLP C[NH+](C[C@H](O)C[N@H+]1CCC[C@H]1CS(N)(=O)=O)C1CC1 ZINC000336811061 353058004 /nfs/dbraw/zinc/05/80/04/353058004.db2.gz KXSGPHVWMPOUCH-RYUDHWBXSA-N 2 2 291.417 -0.806 20 0 CBADLP C[C@@H]1COCC[C@@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000336787921 353052455 /nfs/dbraw/zinc/05/24/55/353052455.db2.gz NGOXMMXFJBMYKT-NEPJUHHUSA-N 2 2 255.362 -0.225 20 0 CBADLP C[N@H+](C[C@@H](O)C[NH+]1CCC(C(N)=O)CC1)C1CC1 ZINC000336793313 353052896 /nfs/dbraw/zinc/05/28/96/353052896.db2.gz WGEXALLVBABKSR-GFCCVEGCSA-N 2 2 255.362 -0.361 20 0 CBADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC(C(N)=O)CC1)C1CC1 ZINC000336793313 353052898 /nfs/dbraw/zinc/05/28/98/353052898.db2.gz WGEXALLVBABKSR-GFCCVEGCSA-N 2 2 255.362 -0.361 20 0 CBADLP COC(=O)[C@H]1CC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000336791458 353052930 /nfs/dbraw/zinc/05/29/30/353052930.db2.gz NOMGEUUZVQSFBM-CMPLNLGQSA-N 2 2 256.346 -0.064 20 0 CBADLP COC(=O)[C@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000336791458 353052931 /nfs/dbraw/zinc/05/29/31/353052931.db2.gz NOMGEUUZVQSFBM-CMPLNLGQSA-N 2 2 256.346 -0.064 20 0 CBADLP COC(=O)[C@H]1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000336791458 353052932 /nfs/dbraw/zinc/05/29/32/353052932.db2.gz NOMGEUUZVQSFBM-CMPLNLGQSA-N 2 2 256.346 -0.064 20 0 CBADLP COC(=O)[C@H]1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000336791458 353052935 /nfs/dbraw/zinc/05/29/35/353052935.db2.gz NOMGEUUZVQSFBM-CMPLNLGQSA-N 2 2 256.346 -0.064 20 0 CBADLP C[N@H+](CCn1cc[nH+]c1)C[C@@H](O)CN1CCOCC1 ZINC000336800913 353055139 /nfs/dbraw/zinc/05/51/39/353055139.db2.gz OEGDGRTYHDZOJW-CYBMUJFWSA-N 2 2 268.361 -0.492 20 0 CBADLP C[N@@H+](CCn1cc[nH+]c1)C[C@@H](O)CN1CCOCC1 ZINC000336800913 353055140 /nfs/dbraw/zinc/05/51/40/353055140.db2.gz OEGDGRTYHDZOJW-CYBMUJFWSA-N 2 2 268.361 -0.492 20 0 CBADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@](F)(CO)C2)CC1 ZINC000338628498 353110353 /nfs/dbraw/zinc/11/03/53/353110353.db2.gz VXMDNGISRDCZRL-CQSZACIVSA-N 2 2 287.379 -0.007 20 0 CBADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@](F)(CO)C2)CC1 ZINC000338628498 353110357 /nfs/dbraw/zinc/11/03/57/353110357.db2.gz VXMDNGISRDCZRL-CQSZACIVSA-N 2 2 287.379 -0.007 20 0 CBADLP C[NH+](C)C[C@](C)(O)CNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338219983 353088950 /nfs/dbraw/zinc/08/89/50/353088950.db2.gz DWGQTPZYIWZDKO-CQSZACIVSA-N 2 2 287.404 -0.474 20 0 CBADLP CCOC(=O)C[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000338232192 353090998 /nfs/dbraw/zinc/09/09/98/353090998.db2.gz CKEPNZJQFRXGAC-UHFFFAOYSA-N 2 2 271.361 -0.355 20 0 CBADLP CCOC(=O)C[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000338232192 353091000 /nfs/dbraw/zinc/09/10/00/353091000.db2.gz CKEPNZJQFRXGAC-UHFFFAOYSA-N 2 2 271.361 -0.355 20 0 CBADLP CC(=O)N1CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000338272407 353092305 /nfs/dbraw/zinc/09/23/05/353092305.db2.gz BARHXVLDBSGENA-ZDUSSCGKSA-N 2 2 296.415 -0.297 20 0 CBADLP CC(=O)N1CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000338272407 353092308 /nfs/dbraw/zinc/09/23/08/353092308.db2.gz BARHXVLDBSGENA-ZDUSSCGKSA-N 2 2 296.415 -0.297 20 0 CBADLP C[C@@H](O)C[C@@H]1COCC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338293061 353093142 /nfs/dbraw/zinc/09/31/42/353093142.db2.gz FZPVDGIPRLPGDT-ZIAGYGMSSA-N 2 2 299.415 -0.378 20 0 CBADLP C[C@@H](O)C[C@@H]1COCC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338293061 353093144 /nfs/dbraw/zinc/09/31/44/353093144.db2.gz FZPVDGIPRLPGDT-ZIAGYGMSSA-N 2 2 299.415 -0.378 20 0 CBADLP C[C@@H](O)C[C@H]1COCC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338293057 353093444 /nfs/dbraw/zinc/09/34/44/353093444.db2.gz FZPVDGIPRLPGDT-KGLIPLIRSA-N 2 2 299.415 -0.378 20 0 CBADLP C[C@@H](O)C[C@H]1COCC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338293057 353093446 /nfs/dbraw/zinc/09/34/46/353093446.db2.gz FZPVDGIPRLPGDT-KGLIPLIRSA-N 2 2 299.415 -0.378 20 0 CBADLP CNC(=O)N1CC[NH+](CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000338287717 353093785 /nfs/dbraw/zinc/09/37/85/353093785.db2.gz SFGDQTYAWVYRKE-UHFFFAOYSA-N 2 2 297.403 -0.893 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000340664667 353182117 /nfs/dbraw/zinc/18/21/17/353182117.db2.gz SQJNOAYIDULXIK-NWDGAFQWSA-N 2 2 295.387 -0.156 20 0 CBADLP Cc1c[nH+]c(CN2CCO[C@H](C[N@H+](C)CC(N)=O)C2)n1C ZINC000342768316 353232482 /nfs/dbraw/zinc/23/24/82/353232482.db2.gz KNVOJLFUCZKKSU-GFCCVEGCSA-N 2 2 295.387 -0.654 20 0 CBADLP Cc1c[nH+]c(CN2CCO[C@H](C[N@@H+](C)CC(N)=O)C2)n1C ZINC000342768316 353232483 /nfs/dbraw/zinc/23/24/83/353232483.db2.gz KNVOJLFUCZKKSU-GFCCVEGCSA-N 2 2 295.387 -0.654 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000342699923 353228168 /nfs/dbraw/zinc/22/81/68/353228168.db2.gz WVHZMBDOQFWWET-VXGBXAGGSA-N 2 2 255.362 -0.177 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000342699923 353228172 /nfs/dbraw/zinc/22/81/72/353228172.db2.gz WVHZMBDOQFWWET-VXGBXAGGSA-N 2 2 255.362 -0.177 20 0 CBADLP C[NH+]1CCN(CCNC(=O)[C@@H]2CC[NH2+]CC2(F)F)CC1 ZINC000343451653 353273297 /nfs/dbraw/zinc/27/32/97/353273297.db2.gz GBSNIVPHMNHFMG-NSHDSACASA-N 2 2 290.358 -0.405 20 0 CBADLP C[C@H](C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)[NH+]1CCOCC1 ZINC000343649276 353283153 /nfs/dbraw/zinc/28/31/53/353283153.db2.gz WPFFRGKWZIZQNQ-ZIAGYGMSSA-N 2 2 296.415 -0.787 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000343703550 353285313 /nfs/dbraw/zinc/28/53/13/353285313.db2.gz VYAUNPURMFXFTQ-ZIAGYGMSSA-N 2 2 296.415 -0.787 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000343703550 353285315 /nfs/dbraw/zinc/28/53/15/353285315.db2.gz VYAUNPURMFXFTQ-ZIAGYGMSSA-N 2 2 296.415 -0.787 20 0 CBADLP C[C@@H]1COCC[NH+]1CCNC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000343703550 353285317 /nfs/dbraw/zinc/28/53/17/353285317.db2.gz VYAUNPURMFXFTQ-ZIAGYGMSSA-N 2 2 296.415 -0.787 20 0 CBADLP C[C@@H]1COCC[NH+]1CCNC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000343703550 353285319 /nfs/dbraw/zinc/28/53/19/353285319.db2.gz VYAUNPURMFXFTQ-ZIAGYGMSSA-N 2 2 296.415 -0.787 20 0 CBADLP C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC[NH2+]CC2(F)F)C1 ZINC000343894600 353296990 /nfs/dbraw/zinc/29/69/90/353296990.db2.gz VASXYVHGLLGIKL-UWVGGRQHSA-N 2 2 277.315 -0.322 20 0 CBADLP C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC[NH2+]CC2(F)F)C1 ZINC000343894600 353296994 /nfs/dbraw/zinc/29/69/94/353296994.db2.gz VASXYVHGLLGIKL-UWVGGRQHSA-N 2 2 277.315 -0.322 20 0 CBADLP O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)[C@@H]1CCC[NH2+]C1 ZINC000343898837 353297342 /nfs/dbraw/zinc/29/73/42/353297342.db2.gz YMEYYFLAIVAPMB-YPMHNXCESA-N 2 2 267.373 -0.035 20 0 CBADLP O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)[C@@H]1CCC[NH2+]C1 ZINC000343898837 353297343 /nfs/dbraw/zinc/29/73/43/353297343.db2.gz YMEYYFLAIVAPMB-YPMHNXCESA-N 2 2 267.373 -0.035 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000345401115 353327970 /nfs/dbraw/zinc/32/79/70/353327970.db2.gz BDHOEPWEDMDJQA-OLZOCXBDSA-N 2 2 285.388 -0.504 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000345401115 353327975 /nfs/dbraw/zinc/32/79/75/353327975.db2.gz BDHOEPWEDMDJQA-OLZOCXBDSA-N 2 2 285.388 -0.504 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000345401116 353328300 /nfs/dbraw/zinc/32/83/00/353328300.db2.gz BDHOEPWEDMDJQA-QWHCGFSZSA-N 2 2 285.388 -0.504 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000345401116 353328303 /nfs/dbraw/zinc/32/83/03/353328303.db2.gz BDHOEPWEDMDJQA-QWHCGFSZSA-N 2 2 285.388 -0.504 20 0 CBADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@H](C)C[NH+]2CCOCC2)C1 ZINC000346167235 353364497 /nfs/dbraw/zinc/36/44/97/353364497.db2.gz XJZNVABJCXIUPH-ZIAGYGMSSA-N 2 2 299.415 -0.068 20 0 CBADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@H](C)C[NH+]2CCOCC2)C1 ZINC000346167235 353364500 /nfs/dbraw/zinc/36/45/00/353364500.db2.gz XJZNVABJCXIUPH-ZIAGYGMSSA-N 2 2 299.415 -0.068 20 0 CBADLP C[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000345700935 353343642 /nfs/dbraw/zinc/34/36/42/353343642.db2.gz NKCSVWCXXFKLIA-GFCCVEGCSA-N 2 2 255.362 -0.225 20 0 CBADLP C[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000345700935 353343646 /nfs/dbraw/zinc/34/36/46/353343646.db2.gz NKCSVWCXXFKLIA-GFCCVEGCSA-N 2 2 255.362 -0.225 20 0 CBADLP C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1cn(C)c(=O)n(C)c1=O ZINC000346693745 353390873 /nfs/dbraw/zinc/39/08/73/353390873.db2.gz PJWBSCYWTLRGRY-NSHDSACASA-N 2 2 266.345 -0.732 20 0 CBADLP C[NH2+]C[C@@H]1CCC[N@H+]1Cc1cn(C)c(=O)n(C)c1=O ZINC000346693745 353390876 /nfs/dbraw/zinc/39/08/76/353390876.db2.gz PJWBSCYWTLRGRY-NSHDSACASA-N 2 2 266.345 -0.732 20 0 CBADLP CS(=O)(=O)N1CCC[N@H+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000346819364 353393539 /nfs/dbraw/zinc/39/35/39/353393539.db2.gz BIFSTKDONLCWED-GFCCVEGCSA-N 2 2 275.418 -0.047 20 0 CBADLP CS(=O)(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000346819364 353393542 /nfs/dbraw/zinc/39/35/42/353393542.db2.gz BIFSTKDONLCWED-GFCCVEGCSA-N 2 2 275.418 -0.047 20 0 CBADLP C[C@H](C(=O)NCCC[NH+]1CCC(O)CC1)[NH+]1CCOCC1 ZINC000346244065 353367922 /nfs/dbraw/zinc/36/79/22/353367922.db2.gz WUPWHOQLCORAAZ-CYBMUJFWSA-N 2 2 299.415 -0.330 20 0 CBADLP Cc1[nH+]ccn1CC[N@H+]1C[C@H](C)O[C@H](C(N)=O)C1 ZINC000346280560 353369702 /nfs/dbraw/zinc/36/97/02/353369702.db2.gz SISXKDPUZYAGDM-ONGXEEELSA-N 2 2 252.318 -0.234 20 0 CBADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@H](C)O[C@H](C(N)=O)C1 ZINC000346280560 353369705 /nfs/dbraw/zinc/36/97/05/353369705.db2.gz SISXKDPUZYAGDM-ONGXEEELSA-N 2 2 252.318 -0.234 20 0 CBADLP C[NH+](C)CC(=O)NC[C@@H]1CCC[C@H](NC(=O)C[NH+](C)C)C1 ZINC000348916675 353440835 /nfs/dbraw/zinc/44/08/35/353440835.db2.gz FZNJDJJSKNAXCN-OLZOCXBDSA-N 2 2 298.431 -0.099 20 0 CBADLP C[C@@H](CNC(=O)CCOC1C[NH2+]C1)[NH+]1CCN(C)CC1 ZINC000348992429 353444317 /nfs/dbraw/zinc/44/43/17/353444317.db2.gz IECYNDDYZHYPRA-LBPRGKRZSA-N 2 2 284.404 -0.883 20 0 CBADLP C[C@@H](CNC(=O)CCOC1C[NH2+]C1)[NH+]1CCOCC1 ZINC000349006998 353444988 /nfs/dbraw/zinc/44/49/88/353444988.db2.gz UVTPQLHIMKGFNF-NSHDSACASA-N 2 2 271.361 -0.798 20 0 CBADLP C[C@@H](C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)n1cncn1 ZINC000348557389 353428245 /nfs/dbraw/zinc/42/82/45/353428245.db2.gz SIZCMEANYIMEEK-LBPRGKRZSA-N 2 2 294.403 -0.019 20 0 CBADLP [NH3+]CC[C@H]1CCCC[N@@H+]1CC(=O)N1CCNC(=O)C1 ZINC000352487488 353487320 /nfs/dbraw/zinc/48/73/20/353487320.db2.gz FOAALWIVYJGOHX-LLVKDONJSA-N 2 2 268.361 -0.852 20 0 CBADLP [NH3+]CC[C@H]1CCCC[N@H+]1CC(=O)N1CCNC(=O)C1 ZINC000352487488 353487321 /nfs/dbraw/zinc/48/73/21/353487321.db2.gz FOAALWIVYJGOHX-LLVKDONJSA-N 2 2 268.361 -0.852 20 0 CBADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CC[NH+](C)CC1 ZINC000350051158 353471245 /nfs/dbraw/zinc/47/12/45/353471245.db2.gz QFXFMJMPGPIULS-GFCCVEGCSA-N 2 2 269.393 -0.811 20 0 CBADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CC[NH+](C)CC1 ZINC000350051158 353471248 /nfs/dbraw/zinc/47/12/48/353471248.db2.gz QFXFMJMPGPIULS-GFCCVEGCSA-N 2 2 269.393 -0.811 20 0 CBADLP CNC(=O)N[C@@H]1CC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000351598444 353475696 /nfs/dbraw/zinc/47/56/96/353475696.db2.gz CBBPZFYZYGPQDY-ZYHUDNBSSA-N 2 2 270.377 -0.555 20 0 CBADLP CNC(=O)N[C@@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000351598444 353475700 /nfs/dbraw/zinc/47/57/00/353475700.db2.gz CBBPZFYZYGPQDY-ZYHUDNBSSA-N 2 2 270.377 -0.555 20 0 CBADLP CNC(=O)N[C@@H]1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000351598444 353475703 /nfs/dbraw/zinc/47/57/03/353475703.db2.gz CBBPZFYZYGPQDY-ZYHUDNBSSA-N 2 2 270.377 -0.555 20 0 CBADLP CNC(=O)N[C@@H]1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000351598444 353475707 /nfs/dbraw/zinc/47/57/07/353475707.db2.gz CBBPZFYZYGPQDY-ZYHUDNBSSA-N 2 2 270.377 -0.555 20 0 CBADLP C[N@H+](C[C@H](O)C[NH2+][C@H](C(N)=O)C(C)(C)C)C1CC1 ZINC000351710313 353476962 /nfs/dbraw/zinc/47/69/62/353476962.db2.gz BWTDXQBXVUORBZ-GHMZBOCLSA-N 2 2 257.378 -0.069 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH2+][C@H](C(N)=O)C(C)(C)C)C1CC1 ZINC000351710313 353476965 /nfs/dbraw/zinc/47/69/65/353476965.db2.gz BWTDXQBXVUORBZ-GHMZBOCLSA-N 2 2 257.378 -0.069 20 0 CBADLP C[C@H](C(=O)NCCC[NH+]1CCOCC1)N1CC[NH+](C)CC1 ZINC000352780468 353505657 /nfs/dbraw/zinc/50/56/57/353505657.db2.gz UOEMDOBAMWRAEK-CQSZACIVSA-N 2 2 298.431 -0.539 20 0 CBADLP C[C@H](C[NH+](C)C)NC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000352995688 353515534 /nfs/dbraw/zinc/51/55/34/353515534.db2.gz CIVCGXQFHWRIDL-OLZOCXBDSA-N 2 2 285.436 -0.128 20 0 CBADLP C[C@@H](C[NH+](C)C)NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000353090566 353521298 /nfs/dbraw/zinc/52/12/98/353521298.db2.gz SQFQPNZRNSPUML-NWDGAFQWSA-N 2 2 271.409 -0.519 20 0 CBADLP C[C@@H](C[NH+](C)C)NC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000353090566 353521300 /nfs/dbraw/zinc/52/13/00/353521300.db2.gz SQFQPNZRNSPUML-NWDGAFQWSA-N 2 2 271.409 -0.519 20 0 CBADLP CCC[C@](C)([NH3+])C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000353168071 353524591 /nfs/dbraw/zinc/52/45/91/353524591.db2.gz ASXGOYFQZYUUGJ-AWEZNQCLSA-N 2 2 284.404 -0.088 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCn1cc(CO)nn1 ZINC000353193485 353527040 /nfs/dbraw/zinc/52/70/40/353527040.db2.gz NWTGCJMLVCUADT-PWSUYJOCSA-N 2 2 253.350 -0.300 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCn1cc(CO)nn1 ZINC000353193485 353527042 /nfs/dbraw/zinc/52/70/42/353527042.db2.gz NWTGCJMLVCUADT-PWSUYJOCSA-N 2 2 253.350 -0.300 20 0 CBADLP CCC[C@@H]([NH3+])C(=O)N1CCC[N@H+](CC(=O)NCC)CC1 ZINC000353474461 353532734 /nfs/dbraw/zinc/53/27/34/353532734.db2.gz VLYSAIZKJGWEDA-GFCCVEGCSA-N 2 2 284.404 -0.216 20 0 CBADLP CCC[C@@H]([NH3+])C(=O)N1CCC[N@@H+](CC(=O)NCC)CC1 ZINC000353474461 353532736 /nfs/dbraw/zinc/53/27/36/353532736.db2.gz VLYSAIZKJGWEDA-GFCCVEGCSA-N 2 2 284.404 -0.216 20 0 CBADLP CO[C@@H](C[NH3+])C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000353514804 353532980 /nfs/dbraw/zinc/53/29/80/353532980.db2.gz LOTODNILGLWQHD-RYUDHWBXSA-N 2 2 271.361 -0.717 20 0 CBADLP C[C@@H]1[C@@H]([NH+]2CCOCC2)CCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000356757778 353599435 /nfs/dbraw/zinc/59/94/35/353599435.db2.gz AQNRYVRVWRAECE-HZSPNIEDSA-N 2 2 297.399 -0.361 20 0 CBADLP C[C@@H]1[C@@H]([NH+]2CCOCC2)CCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000356757778 353599438 /nfs/dbraw/zinc/59/94/38/353599438.db2.gz AQNRYVRVWRAECE-HZSPNIEDSA-N 2 2 297.399 -0.361 20 0 CBADLP C[C@H](CS(C)(=O)=O)[N@H+](CCOCC[NH3+])C1CC1 ZINC000357067369 353601016 /nfs/dbraw/zinc/60/10/16/353601016.db2.gz DSVLXVIVVHATDI-SNVBAGLBSA-N 2 2 264.391 -0.141 20 0 CBADLP C[C@H](CS(C)(=O)=O)[N@@H+](CCOCC[NH3+])C1CC1 ZINC000357067369 353601019 /nfs/dbraw/zinc/60/10/19/353601019.db2.gz DSVLXVIVVHATDI-SNVBAGLBSA-N 2 2 264.391 -0.141 20 0 CBADLP CCS(=O)(=O)C[C@@H](C)[N@H+](C)CCOCC[NH3+] ZINC000357068186 353601916 /nfs/dbraw/zinc/60/19/16/353601916.db2.gz GCHSBFALXFTEHD-SNVBAGLBSA-N 2 2 252.380 -0.283 20 0 CBADLP CCS(=O)(=O)C[C@@H](C)[N@@H+](C)CCOCC[NH3+] ZINC000357068186 353601918 /nfs/dbraw/zinc/60/19/18/353601918.db2.gz GCHSBFALXFTEHD-SNVBAGLBSA-N 2 2 252.380 -0.283 20 0 CBADLP C[N@@H+]1CC[C@](O)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC000358064672 353623765 /nfs/dbraw/zinc/62/37/65/353623765.db2.gz LPNKDWTWKLHFLR-LBPRGKRZSA-N 2 2 252.318 -0.544 20 0 CBADLP C[N@H+]1CC[C@](O)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC000358064672 353623767 /nfs/dbraw/zinc/62/37/67/353623767.db2.gz LPNKDWTWKLHFLR-LBPRGKRZSA-N 2 2 252.318 -0.544 20 0 CBADLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2cccc(C(N)=O)c2)C1 ZINC000358153464 353629987 /nfs/dbraw/zinc/62/99/87/353629987.db2.gz DDVWECUNDKCVNM-AWEZNQCLSA-N 2 2 263.341 -0.058 20 0 CBADLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2cccc(C(N)=O)c2)C1 ZINC000358153464 353629992 /nfs/dbraw/zinc/62/99/92/353629992.db2.gz DDVWECUNDKCVNM-AWEZNQCLSA-N 2 2 263.341 -0.058 20 0 CBADLP C[N@@H+]1CC[C@](O)(CNC(=O)NCCCn2cc[nH+]c2)C1 ZINC000357734291 353604659 /nfs/dbraw/zinc/60/46/59/353604659.db2.gz WJGBWAQAUKEQIZ-ZDUSSCGKSA-N 2 2 281.360 -0.361 20 0 CBADLP C[N@H+]1CC[C@](O)(CNC(=O)NCCCn2cc[nH+]c2)C1 ZINC000357734291 353604664 /nfs/dbraw/zinc/60/46/64/353604664.db2.gz WJGBWAQAUKEQIZ-ZDUSSCGKSA-N 2 2 281.360 -0.361 20 0 CBADLP CNC(=O)C[NH+]1CCN(c2cc[nH+]cc2OC)CC1 ZINC000361518278 353662907 /nfs/dbraw/zinc/66/29/07/353662907.db2.gz IXCRGRRJDFCLNZ-UHFFFAOYSA-N 2 2 264.329 -0.042 20 0 CBADLP COCC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364210350 353671172 /nfs/dbraw/zinc/67/11/72/353671172.db2.gz ZRIRCJRCXZWKNR-NSHDSACASA-N 2 2 255.362 -0.083 20 0 CBADLP COCC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364210350 353671176 /nfs/dbraw/zinc/67/11/76/353671176.db2.gz ZRIRCJRCXZWKNR-NSHDSACASA-N 2 2 255.362 -0.083 20 0 CBADLP O=C(NC[C@@H]1C[NH+]2CCN1CC2)C1CC[NH+](C2CC2)CC1 ZINC000365985522 353674561 /nfs/dbraw/zinc/67/45/61/353674561.db2.gz KSOGTVJDQIQIBR-OAHLLOKOSA-N 2 2 292.427 -0.023 20 0 CBADLP C[C@H](C[NH3+])C(=O)NC[C@@]1([NH+]2CCOCC2)CCCOC1 ZINC000367644684 353682719 /nfs/dbraw/zinc/68/27/19/353682719.db2.gz USALPUDYQXUYQQ-OCCSQVGLSA-N 2 2 285.388 -0.421 20 0 CBADLP CN([C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)S(N)(=O)=O ZINC000369346165 353688461 /nfs/dbraw/zinc/68/84/61/353688461.db2.gz WTCLTSYBKQNWHH-NSHDSACASA-N 2 2 276.406 -0.710 20 0 CBADLP CN([C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)S(N)(=O)=O ZINC000369346165 353688465 /nfs/dbraw/zinc/68/84/65/353688465.db2.gz WTCLTSYBKQNWHH-NSHDSACASA-N 2 2 276.406 -0.710 20 0 CBADLP C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)[C@H](C)[NH+]1CCOCC1 ZINC000167691488 299207876 /nfs/dbraw/zinc/20/78/76/299207876.db2.gz UGELVUFZPAXQPQ-SRVKXCTJSA-N 2 2 255.362 -0.036 20 0 CBADLP C[N@@H+]1CCN(C2CC[NH+](CCCO)CC2)C(=O)C1 ZINC000371642406 353705215 /nfs/dbraw/zinc/70/52/15/353705215.db2.gz NKSMDZOIENKLQL-UHFFFAOYSA-N 2 2 255.362 -0.393 20 0 CBADLP C[N@H+]1CCN(C2CC[NH+](CCCO)CC2)C(=O)C1 ZINC000371642406 353705218 /nfs/dbraw/zinc/70/52/18/353705218.db2.gz NKSMDZOIENKLQL-UHFFFAOYSA-N 2 2 255.362 -0.393 20 0 CBADLP CC[C@@H](C(N)=O)[NH+]1CCC(N2CC[N@H+](C)CC2=O)CC1 ZINC000371637692 353705283 /nfs/dbraw/zinc/70/52/83/353705283.db2.gz KUSJBYQFHVBLKR-LBPRGKRZSA-N 2 2 282.388 -0.511 20 0 CBADLP CC[C@@H](C(N)=O)[NH+]1CCC(N2CC[N@@H+](C)CC2=O)CC1 ZINC000371637692 353705284 /nfs/dbraw/zinc/70/52/84/353705284.db2.gz KUSJBYQFHVBLKR-LBPRGKRZSA-N 2 2 282.388 -0.511 20 0 CBADLP O=C([C@H]1C[C@H]2CCCC[N@@H+]2C1)N1CC[NH+](CCO)CC1 ZINC000371902345 353708377 /nfs/dbraw/zinc/70/83/77/353708377.db2.gz QPPSVVPNXWSUFM-UONOGXRCSA-N 2 2 281.400 -0.003 20 0 CBADLP O=C([C@H]1C[C@H]2CCCC[N@H+]2C1)N1CC[NH+](CCO)CC1 ZINC000371902345 353708380 /nfs/dbraw/zinc/70/83/80/353708380.db2.gz QPPSVVPNXWSUFM-UONOGXRCSA-N 2 2 281.400 -0.003 20 0 CBADLP CCOCC[N@@H+]1CCN(C(=O)[C@@H]2C[C@@H](O)C[NH2+]2)C[C@@H]1C ZINC000372099570 353710359 /nfs/dbraw/zinc/71/03/59/353710359.db2.gz WDIKMDGJUCCDQU-XQQFMLRXSA-N 2 2 285.388 -0.722 20 0 CBADLP CCOCC[N@H+]1CCN(C(=O)[C@@H]2C[C@@H](O)C[NH2+]2)C[C@@H]1C ZINC000372099570 353710360 /nfs/dbraw/zinc/71/03/60/353710360.db2.gz WDIKMDGJUCCDQU-XQQFMLRXSA-N 2 2 285.388 -0.722 20 0 CBADLP C[NH+](C)CC(=O)NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000372368892 353715725 /nfs/dbraw/zinc/71/57/25/353715725.db2.gz WJUMUATYXFWHLJ-NWDGAFQWSA-N 2 2 255.362 -0.083 20 0 CBADLP C[NH+](C)CC(=O)NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000372368892 353715728 /nfs/dbraw/zinc/71/57/28/353715728.db2.gz WJUMUATYXFWHLJ-NWDGAFQWSA-N 2 2 255.362 -0.083 20 0 CBADLP COC(=O)CNC(=O)C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000372991479 353725241 /nfs/dbraw/zinc/72/52/41/353725241.db2.gz UDSJXTWGPQGXOE-LLVKDONJSA-N 2 2 271.361 -0.308 20 0 CBADLP COC(=O)CNC(=O)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000372991479 353725243 /nfs/dbraw/zinc/72/52/43/353725243.db2.gz UDSJXTWGPQGXOE-LLVKDONJSA-N 2 2 271.361 -0.308 20 0 CBADLP CC(C)([NH3+])C(=O)N1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000373089651 353726061 /nfs/dbraw/zinc/72/60/61/353726061.db2.gz YYFZLSZVXUXGKB-NSHDSACASA-N 2 2 282.388 -0.463 20 0 CBADLP CC(=O)NCCC[NH+]1CCC(N2CC[N@@H+](C)CC2=O)CC1 ZINC000374742907 353748613 /nfs/dbraw/zinc/74/86/13/353748613.db2.gz LDKISKYYSCPWRF-UHFFFAOYSA-N 2 2 296.415 -0.249 20 0 CBADLP CC(=O)NCCC[NH+]1CCC(N2CC[N@H+](C)CC2=O)CC1 ZINC000374742907 353748615 /nfs/dbraw/zinc/74/86/15/353748615.db2.gz LDKISKYYSCPWRF-UHFFFAOYSA-N 2 2 296.415 -0.249 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](n3cncn3)C2)CC1 ZINC000375343499 353759125 /nfs/dbraw/zinc/75/91/25/353759125.db2.gz FBWREQAVIKCDJR-LBPRGKRZSA-N 2 2 278.360 -0.701 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](n3cncn3)C2)CC1 ZINC000375343499 353759129 /nfs/dbraw/zinc/75/91/29/353759129.db2.gz FBWREQAVIKCDJR-LBPRGKRZSA-N 2 2 278.360 -0.701 20 0 CBADLP CC[C@@H]1C[N@H+](CCS(=O)(=O)N(C)C)CC[C@@H]1[NH3+] ZINC000383926393 353785720 /nfs/dbraw/zinc/78/57/20/353785720.db2.gz DTUSKSKZUUMSAQ-MNOVXSKESA-N 2 2 263.407 -0.063 20 0 CBADLP CC[C@@H]1C[N@@H+](CCS(=O)(=O)N(C)C)CC[C@@H]1[NH3+] ZINC000383926393 353785722 /nfs/dbraw/zinc/78/57/22/353785722.db2.gz DTUSKSKZUUMSAQ-MNOVXSKESA-N 2 2 263.407 -0.063 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@@H]3CCOC(=O)[C@H]32)CC1 ZINC000375888823 353768922 /nfs/dbraw/zinc/76/89/22/353768922.db2.gz IBNSBNOZCPOOEN-OCCSQVGLSA-N 2 2 295.383 -0.212 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@@H]3CCOC(=O)[C@H]32)CC1 ZINC000375888823 353768927 /nfs/dbraw/zinc/76/89/27/353768927.db2.gz IBNSBNOZCPOOEN-OCCSQVGLSA-N 2 2 295.383 -0.212 20 0 CBADLP CCn1cc[nH+]c1CNS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000385222762 353786410 /nfs/dbraw/zinc/78/64/10/353786410.db2.gz LSMUIIUQQCCBSN-SNVBAGLBSA-N 2 2 288.373 -0.689 20 0 CBADLP C[NH+](C)[C@@H]1CCC[N@H+](CC(=O)N2CCNC(=O)C2)CC1 ZINC000377266680 353777730 /nfs/dbraw/zinc/77/77/30/353777730.db2.gz LYGUSJYJIFBBPB-GFCCVEGCSA-N 2 2 282.388 -0.639 20 0 CBADLP C[NH+](C)[C@@H]1CCC[N@@H+](CC(=O)N2CCNC(=O)C2)CC1 ZINC000377266680 353777732 /nfs/dbraw/zinc/77/77/32/353777732.db2.gz LYGUSJYJIFBBPB-GFCCVEGCSA-N 2 2 282.388 -0.639 20 0 CBADLP CCC[C@H]([NH3+])C(=O)N1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000378208167 353780324 /nfs/dbraw/zinc/78/03/24/353780324.db2.gz GHMQGKWBTMKUHC-QWHCGFSZSA-N 2 2 296.415 -0.073 20 0 CBADLP O=S(=O)(C[C@@H]1C[NH2+]CCO1)N1CC[NH+](C2CC2)CC1 ZINC000382339056 353784216 /nfs/dbraw/zinc/78/42/16/353784216.db2.gz XQMYAVVPJCHCCK-LBPRGKRZSA-N 2 2 289.401 -0.915 20 0 CBADLP C[C@@H](C(=O)N1CC[NH+](C2(C(N)=O)CCCC2)CC1)[C@H](C)[NH3+] ZINC000373798744 353736558 /nfs/dbraw/zinc/73/65/58/353736558.db2.gz FRJUGCYWLXWJPL-NEPJUHHUSA-N 2 2 296.415 -0.088 20 0 CBADLP CC[N@@H+]1CCO[C@@H](CN2CC[NH+](CC(=O)N(C)C)CC2)C1 ZINC000373965176 353738407 /nfs/dbraw/zinc/73/84/07/353738407.db2.gz OIIHEJSEKGBONR-CQSZACIVSA-N 2 2 298.431 -0.587 20 0 CBADLP CC[N@H+]1CCO[C@@H](CN2CC[NH+](CC(=O)N(C)C)CC2)C1 ZINC000373965176 353738408 /nfs/dbraw/zinc/73/84/08/353738408.db2.gz OIIHEJSEKGBONR-CQSZACIVSA-N 2 2 298.431 -0.587 20 0 CBADLP Cn1nncc1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000374231100 353743297 /nfs/dbraw/zinc/74/32/97/353743297.db2.gz OSLPLTOQHGCKLS-LLVKDONJSA-N 2 2 292.387 -0.287 20 0 CBADLP Cn1nncc1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000374231100 353743300 /nfs/dbraw/zinc/74/33/00/353743300.db2.gz OSLPLTOQHGCKLS-LLVKDONJSA-N 2 2 292.387 -0.287 20 0 CBADLP CNC(=O)NC(=O)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000374426128 353745216 /nfs/dbraw/zinc/74/52/16/353745216.db2.gz COCXBZJHSANLCZ-IJLUTSLNSA-N 2 2 298.387 -0.375 20 0 CBADLP CNC(=O)NC(=O)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000374426128 353745218 /nfs/dbraw/zinc/74/52/18/353745218.db2.gz COCXBZJHSANLCZ-IJLUTSLNSA-N 2 2 298.387 -0.375 20 0 CBADLP CC(C)(C)[NH2+]CC[NH2+][C@@H]1CCN(S(C)(=O)=O)C1 ZINC000400220283 353800934 /nfs/dbraw/zinc/80/09/34/353800934.db2.gz YEWCVKZTCBWLMY-SNVBAGLBSA-N 2 2 263.407 -0.002 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC(F)(F)[C@@H](CO)C1 ZINC000404043056 353805744 /nfs/dbraw/zinc/80/57/44/353805744.db2.gz VSARFGHRYJFPKO-VXGBXAGGSA-N 2 2 296.358 -0.125 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(F)(F)[C@@H](CO)C1 ZINC000404043056 353805747 /nfs/dbraw/zinc/80/57/47/353805747.db2.gz VSARFGHRYJFPKO-VXGBXAGGSA-N 2 2 296.358 -0.125 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000404043056 353805749 /nfs/dbraw/zinc/80/57/49/353805749.db2.gz VSARFGHRYJFPKO-VXGBXAGGSA-N 2 2 296.358 -0.125 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000404043056 353805752 /nfs/dbraw/zinc/80/57/52/353805752.db2.gz VSARFGHRYJFPKO-VXGBXAGGSA-N 2 2 296.358 -0.125 20 0 CBADLP CCO[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(=O)NC)C[C@H]1C[NH3+] ZINC000405494862 353808053 /nfs/dbraw/zinc/80/80/53/353808053.db2.gz AVOUMJABNKZDNP-IVZWLZJFSA-N 2 2 272.349 -0.874 20 0 CBADLP CCO[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(=O)NC)C[C@H]1C[NH3+] ZINC000405494862 353808054 /nfs/dbraw/zinc/80/80/54/353808054.db2.gz AVOUMJABNKZDNP-IVZWLZJFSA-N 2 2 272.349 -0.874 20 0 CBADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@H](S(N)(=O)=O)C1 ZINC000407949453 353809613 /nfs/dbraw/zinc/80/96/13/353809613.db2.gz JFUXKLYAVDSLIA-QWRGUYRKSA-N 2 2 261.391 -0.167 20 0 CBADLP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@H](S(N)(=O)=O)C1 ZINC000407949453 353809614 /nfs/dbraw/zinc/80/96/14/353809614.db2.gz JFUXKLYAVDSLIA-QWRGUYRKSA-N 2 2 261.391 -0.167 20 0 CBADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000407949453 353809615 /nfs/dbraw/zinc/80/96/15/353809615.db2.gz JFUXKLYAVDSLIA-QWRGUYRKSA-N 2 2 261.391 -0.167 20 0 CBADLP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000407949453 353809616 /nfs/dbraw/zinc/80/96/16/353809616.db2.gz JFUXKLYAVDSLIA-QWRGUYRKSA-N 2 2 261.391 -0.167 20 0 CBADLP C[C@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@H](CO)O1 ZINC000407983181 353816805 /nfs/dbraw/zinc/81/68/05/353816805.db2.gz OCRAVQBYCJCKHY-QWHCGFSZSA-N 2 2 285.388 -0.768 20 0 CBADLP C[C@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@H](CO)O1 ZINC000407983181 353816807 /nfs/dbraw/zinc/81/68/07/353816807.db2.gz OCRAVQBYCJCKHY-QWHCGFSZSA-N 2 2 285.388 -0.768 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)N2CC[NH+](C[C@@H](C)O)[C@@H](C)C2)[N@H+](C)C1 ZINC000408037528 353832256 /nfs/dbraw/zinc/83/22/56/353832256.db2.gz AQXPKQJWLSUPQE-CRWXNKLISA-N 2 2 299.415 -0.381 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)N2CC[NH+](C[C@@H](C)O)[C@@H](C)C2)[N@@H+](C)C1 ZINC000408037528 353832257 /nfs/dbraw/zinc/83/22/57/353832257.db2.gz AQXPKQJWLSUPQE-CRWXNKLISA-N 2 2 299.415 -0.381 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)[NH+](C)C1 ZINC000408037528 353832260 /nfs/dbraw/zinc/83/22/60/353832260.db2.gz AQXPKQJWLSUPQE-CRWXNKLISA-N 2 2 299.415 -0.381 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)[NH+](C)C1 ZINC000408037528 353832261 /nfs/dbraw/zinc/83/22/61/353832261.db2.gz AQXPKQJWLSUPQE-CRWXNKLISA-N 2 2 299.415 -0.381 20 0 CBADLP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000410554182 353931110 /nfs/dbraw/zinc/93/11/10/353931110.db2.gz CZJBMFQXDMHTAW-UHFFFAOYSA-N 2 2 296.415 -0.295 20 0 CBADLP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N2CC[NH+](C)CC2)C[C@H]1C ZINC000410714296 353935939 /nfs/dbraw/zinc/93/59/39/353935939.db2.gz SVKHYRKGRLUPDV-CHWSQXEVSA-N 2 2 296.415 -0.299 20 0 CBADLP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N2CC[NH+](C)CC2)C[C@H]1C ZINC000410714296 353935942 /nfs/dbraw/zinc/93/59/42/353935942.db2.gz SVKHYRKGRLUPDV-CHWSQXEVSA-N 2 2 296.415 -0.299 20 0 CBADLP CCN(CCC[NH+](C)C)C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000410810185 353937269 /nfs/dbraw/zinc/93/72/69/353937269.db2.gz OIRIMMXSESNZDM-UHFFFAOYSA-N 2 2 284.404 -0.439 20 0 CBADLP COC(=O)[C@@H]1CN(Cc2c[nH+]cn2C)CC[N@H+](C)C1 ZINC000411906923 353941515 /nfs/dbraw/zinc/94/15/15/353941515.db2.gz OPIZILVYKWQEFO-NSHDSACASA-N 2 2 266.345 -0.043 20 0 CBADLP COC(=O)[C@@H]1CN(Cc2c[nH+]cn2C)CC[N@@H+](C)C1 ZINC000411906923 353941516 /nfs/dbraw/zinc/94/15/16/353941516.db2.gz OPIZILVYKWQEFO-NSHDSACASA-N 2 2 266.345 -0.043 20 0 CBADLP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NCC[NH+]1CCOCC1 ZINC000416441414 353969639 /nfs/dbraw/zinc/96/96/39/353969639.db2.gz VHDLPGMHYXTPNK-NWDGAFQWSA-N 2 2 270.377 -0.290 20 0 CBADLP CC(C)(CNC(=O)N1CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000416833691 353973998 /nfs/dbraw/zinc/97/39/98/353973998.db2.gz VSRMFHNCVQUCKT-UHFFFAOYSA-N 2 2 270.377 -0.288 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000417015350 353974748 /nfs/dbraw/zinc/97/47/48/353974748.db2.gz BOSUJGWRDFXEAS-NEPJUHHUSA-N 2 2 270.377 -0.242 20 0 CBADLP C[NH2+]C[C@@H](C)CNC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000417026437 353975465 /nfs/dbraw/zinc/97/54/65/353975465.db2.gz MHLRZKUUYYYHQN-VXGBXAGGSA-N 2 2 272.393 -0.138 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N(C)C1CC([NH3+])C1 ZINC000417514324 353978353 /nfs/dbraw/zinc/97/83/53/353978353.db2.gz JFSDGHWPCWUJLG-VOMCLLRMSA-N 2 2 270.377 -0.162 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N(C)C1CC([NH3+])C1 ZINC000417514324 353978357 /nfs/dbraw/zinc/97/83/57/353978357.db2.gz JFSDGHWPCWUJLG-VOMCLLRMSA-N 2 2 270.377 -0.162 20 0 CBADLP C[C@H]1CN(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)CC[NH2+]1 ZINC000417514317 353978510 /nfs/dbraw/zinc/97/85/10/353978510.db2.gz JFJHADLULMRZGC-RYUDHWBXSA-N 2 2 270.377 -0.290 20 0 CBADLP C[C@H]1CN(C(=O)NCC[N@H+]2CCOC[C@@H]2C)CC[NH2+]1 ZINC000417514317 353978513 /nfs/dbraw/zinc/97/85/13/353978513.db2.gz JFJHADLULMRZGC-RYUDHWBXSA-N 2 2 270.377 -0.290 20 0 CBADLP C[C@H]([NH3+])[C@H](C)NC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000417499497 353978628 /nfs/dbraw/zinc/97/86/28/353978628.db2.gz DZVRVQZYTUMODH-VWYCJHECSA-N 2 2 258.366 -0.258 20 0 CBADLP C[C@H]([NH3+])[C@H](C)NC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000417499497 353978630 /nfs/dbraw/zinc/97/86/30/353978630.db2.gz DZVRVQZYTUMODH-VWYCJHECSA-N 2 2 258.366 -0.258 20 0 CBADLP C[C@H](NC(=O)N1CC[NH2+]CC1)[C@H](C)[NH+]1CCOCC1 ZINC000417527902 353978717 /nfs/dbraw/zinc/97/87/17/353978717.db2.gz VVJSFCFJDOXYTJ-RYUDHWBXSA-N 2 2 270.377 -0.290 20 0 CBADLP C[C@H](C[NH3+])CNC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000417530548 353978800 /nfs/dbraw/zinc/97/88/00/353978800.db2.gz SJDRKJYIUYBCCX-GHMZBOCLSA-N 2 2 258.366 -0.399 20 0 CBADLP C[C@H](C[NH3+])CNC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000417530548 353978802 /nfs/dbraw/zinc/97/88/02/353978802.db2.gz SJDRKJYIUYBCCX-GHMZBOCLSA-N 2 2 258.366 -0.399 20 0 CBADLP CC[C@@H]([NH3+])CNC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000417521035 353978813 /nfs/dbraw/zinc/97/88/13/353978813.db2.gz YDXSNSROEGLPTD-GHMZBOCLSA-N 2 2 258.366 -0.256 20 0 CBADLP CC[C@@H]([NH3+])CNC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000417521035 353978814 /nfs/dbraw/zinc/97/88/14/353978814.db2.gz YDXSNSROEGLPTD-GHMZBOCLSA-N 2 2 258.366 -0.256 20 0 CBADLP C[C@@H](NC(=O)NCC(F)(F)C[NH3+])[C@H](C)[NH+]1CCOCC1 ZINC000417516029 353978928 /nfs/dbraw/zinc/97/89/28/353978928.db2.gz FTTKWTGNANOURH-ZJUUUORDSA-N 2 2 294.346 -0.011 20 0 CBADLP CC[C@@H]([NH3+])CNC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000417521038 353978930 /nfs/dbraw/zinc/97/89/30/353978930.db2.gz YDXSNSROEGLPTD-WDEREUQCSA-N 2 2 258.366 -0.256 20 0 CBADLP CC[C@@H]([NH3+])CNC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000417521038 353978931 /nfs/dbraw/zinc/97/89/31/353978931.db2.gz YDXSNSROEGLPTD-WDEREUQCSA-N 2 2 258.366 -0.256 20 0 CBADLP CC[C@H]([NH3+])CNC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000418110521 353987308 /nfs/dbraw/zinc/98/73/08/353987308.db2.gz FFTAJQPAIDAKCE-NSHDSACASA-N 2 2 270.377 -0.112 20 0 CBADLP CC[C@H]1C[N@H+](CCNC(=O)NCCC[NH3+])CCO1 ZINC000418350005 353993806 /nfs/dbraw/zinc/99/38/06/353993806.db2.gz KSITUWNWCTXWHM-NSHDSACASA-N 2 2 258.366 -0.255 20 0 CBADLP CC[C@H]1C[N@@H+](CCNC(=O)NCCC[NH3+])CCO1 ZINC000418350005 353993807 /nfs/dbraw/zinc/99/38/07/353993807.db2.gz KSITUWNWCTXWHM-NSHDSACASA-N 2 2 258.366 -0.255 20 0 CBADLP COC(=O)[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)CC[N@H+](C)C1 ZINC000413898864 353959588 /nfs/dbraw/zinc/95/95/88/353959588.db2.gz XGYFZTZHFUTZTL-LBPRGKRZSA-N 2 2 294.355 -0.245 20 0 CBADLP COC(=O)[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)CC[N@@H+](C)C1 ZINC000413898864 353959590 /nfs/dbraw/zinc/95/95/90/353959590.db2.gz XGYFZTZHFUTZTL-LBPRGKRZSA-N 2 2 294.355 -0.245 20 0 CBADLP [NH3+]CCC[N@@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000414744848 353963191 /nfs/dbraw/zinc/96/31/91/353963191.db2.gz QGRJJNWYSRTCRS-LBPRGKRZSA-N 2 2 291.417 -0.538 20 0 CBADLP [NH3+]CCC[N@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000414744848 353963194 /nfs/dbraw/zinc/96/31/94/353963194.db2.gz QGRJJNWYSRTCRS-LBPRGKRZSA-N 2 2 291.417 -0.538 20 0 CBADLP CC[NH+](CC)CC(=O)N1CC[NH+](CCC[NH3+])CC1 ZINC000414691226 353963399 /nfs/dbraw/zinc/96/33/99/353963399.db2.gz JISJMQXHTDJHLB-UHFFFAOYSA-N 3 2 256.394 -0.179 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCC(F)(F)C[NH3+] ZINC000418522257 354000971 /nfs/dbraw/zinc/00/09/71/354000971.db2.gz ITEXXLHEHLTHRL-SNVBAGLBSA-N 2 2 294.346 -0.058 20 0 CBADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCC(F)(F)C[NH3+])[C@@H](C)C1 ZINC000418522247 354001006 /nfs/dbraw/zinc/00/10/06/354001006.db2.gz IPNIZQDZBHYOGP-VHSXEESVSA-N 2 2 294.346 -0.323 20 0 CBADLP C[C@@H](O)C[N@H+]1CCN(C(=O)NCC(F)(F)C[NH3+])[C@@H](C)C1 ZINC000418522247 354001009 /nfs/dbraw/zinc/00/10/09/354001009.db2.gz IPNIZQDZBHYOGP-VHSXEESVSA-N 2 2 294.346 -0.323 20 0 CBADLP CC[C@@H]1C[N@H+](CCNC(=O)NCC(F)(F)C[NH3+])CCO1 ZINC000418526139 354001238 /nfs/dbraw/zinc/00/12/38/354001238.db2.gz QKRBQLZLQDNMCV-SNVBAGLBSA-N 2 2 294.346 -0.010 20 0 CBADLP CC[C@@H]1C[N@@H+](CCNC(=O)NCC(F)(F)C[NH3+])CCO1 ZINC000418526139 354001242 /nfs/dbraw/zinc/00/12/42/354001242.db2.gz QKRBQLZLQDNMCV-SNVBAGLBSA-N 2 2 294.346 -0.010 20 0 CBADLP C[C@H](CC[NH3+])NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000418535167 354002165 /nfs/dbraw/zinc/00/21/65/354002165.db2.gz YMTQDHDVWWBCPD-UTUOFQBUSA-N 2 2 270.377 -0.114 20 0 CBADLP C[C@H](CC[NH3+])NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000418535167 354002169 /nfs/dbraw/zinc/00/21/69/354002169.db2.gz YMTQDHDVWWBCPD-UTUOFQBUSA-N 2 2 270.377 -0.114 20 0 CBADLP CC[C@@H]1C[N@H+](CCNC(=O)N[C@H](C)C[NH3+])CCO1 ZINC000418528945 354002406 /nfs/dbraw/zinc/00/24/06/354002406.db2.gz SURIRBKEACUHCG-GHMZBOCLSA-N 2 2 258.366 -0.256 20 0 CBADLP CC[C@@H]1C[N@@H+](CCNC(=O)N[C@H](C)C[NH3+])CCO1 ZINC000418528945 354002408 /nfs/dbraw/zinc/00/24/08/354002408.db2.gz SURIRBKEACUHCG-GHMZBOCLSA-N 2 2 258.366 -0.256 20 0 CBADLP C[C@@H]1CN(C(=O)C(=O)NCCn2cc[nH+]c2)C[C@H](C)[NH2+]1 ZINC000418894221 354014882 /nfs/dbraw/zinc/01/48/82/354014882.db2.gz YWZLILFZHYGEEM-PHIMTYICSA-N 2 2 279.344 -0.792 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000419821663 354080538 /nfs/dbraw/zinc/08/05/38/354080538.db2.gz PRYOLXUIAATHGY-UHFFFAOYSA-N 2 2 296.415 -0.072 20 0 CBADLP Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)NCC[NH3+])CC1 ZINC000419843241 354083816 /nfs/dbraw/zinc/08/38/16/354083816.db2.gz XGZVHWZUMXPFIU-UHFFFAOYSA-N 2 2 291.355 -0.886 20 0 CBADLP O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000419905560 354092559 /nfs/dbraw/zinc/09/25/59/354092559.db2.gz WXRSWHDJAUUHRR-LLVKDONJSA-N 2 2 280.372 -0.839 20 0 CBADLP CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CC[NH+](CC)CC1 ZINC000420147981 354112682 /nfs/dbraw/zinc/11/26/82/354112682.db2.gz SRSKADOCSLTSMA-GFCCVEGCSA-N 2 2 284.404 -0.216 20 0 CBADLP COC(=O)CCNC(=O)C[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000420282955 354121486 /nfs/dbraw/zinc/12/14/86/354121486.db2.gz BMAXJQYBZGSTIS-LLVKDONJSA-N 2 2 273.377 -0.029 20 0 CBADLP COC(=O)CCNC(=O)C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000420282955 354121489 /nfs/dbraw/zinc/12/14/89/354121489.db2.gz BMAXJQYBZGSTIS-LLVKDONJSA-N 2 2 273.377 -0.029 20 0 CBADLP CCOC(=O)C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000420302388 354121697 /nfs/dbraw/zinc/12/16/97/354121697.db2.gz FVCXUGQUWIJIBK-NSHDSACASA-N 2 2 269.345 -0.554 20 0 CBADLP CCOC(=O)C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000420302388 354121700 /nfs/dbraw/zinc/12/17/00/354121700.db2.gz FVCXUGQUWIJIBK-NSHDSACASA-N 2 2 269.345 -0.554 20 0 CBADLP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)C1(C[NH3+])CCC1 ZINC000420326106 354123224 /nfs/dbraw/zinc/12/32/24/354123224.db2.gz JIWAHIBKSSZOJB-UHFFFAOYSA-N 3 2 268.405 -0.036 20 0 CBADLP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)C1(C[NH3+])CCC1 ZINC000420326106 354123229 /nfs/dbraw/zinc/12/32/29/354123229.db2.gz JIWAHIBKSSZOJB-UHFFFAOYSA-N 3 2 268.405 -0.036 20 0 CBADLP CCOc1cccc(CNC(=O)C[N@H+](C)C[C@@H](O)C[NH3+])c1 ZINC000420355546 354125755 /nfs/dbraw/zinc/12/57/55/354125755.db2.gz PVROIYRWSBBTBT-ZDUSSCGKSA-N 2 2 295.383 -0.047 20 0 CBADLP CCOc1cccc(CNC(=O)C[N@@H+](C)C[C@@H](O)C[NH3+])c1 ZINC000420355546 354125758 /nfs/dbraw/zinc/12/57/58/354125758.db2.gz PVROIYRWSBBTBT-ZDUSSCGKSA-N 2 2 295.383 -0.047 20 0 CBADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC000420379118 354126341 /nfs/dbraw/zinc/12/63/41/354126341.db2.gz XKIKRQJFTTVCRH-WZRBSPASSA-N 2 2 255.362 -0.179 20 0 CBADLP COC(=O)CCNC(=O)C[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000420380686 354126446 /nfs/dbraw/zinc/12/64/46/354126446.db2.gz YPDAODNSVMWCCL-OPQQBVKSSA-N 2 2 271.361 -0.358 20 0 CBADLP COCC[N@H+](CCN1CC[NH2+]CC1)CC(=O)OC ZINC000420367879 354127221 /nfs/dbraw/zinc/12/72/21/354127221.db2.gz WKECSSZPVFYIDO-UHFFFAOYSA-N 2 2 259.350 -0.987 20 0 CBADLP COCC[N@@H+](CCN1CC[NH2+]CC1)CC(=O)OC ZINC000420367879 354127222 /nfs/dbraw/zinc/12/72/22/354127222.db2.gz WKECSSZPVFYIDO-UHFFFAOYSA-N 2 2 259.350 -0.987 20 0 CBADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C3CCC3)CC2)CC[NH2+]1 ZINC000423298817 354166732 /nfs/dbraw/zinc/16/67/32/354166732.db2.gz AQVIAWCCVSVPJA-GFCCVEGCSA-N 2 2 294.399 -0.497 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@]2(COC)CC[NH2+]C2)CC1 ZINC000423307759 354168056 /nfs/dbraw/zinc/16/80/56/354168056.db2.gz WNWQWFVZYJLJKA-CQSZACIVSA-N 2 2 285.388 -0.597 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@@H]2C[C@H](C)CC[NH2+]2)CC1 ZINC000423346320 354170161 /nfs/dbraw/zinc/17/01/61/354170161.db2.gz ZUEKDARPCJFSMB-OCCSQVGLSA-N 2 2 296.415 -0.345 20 0 CBADLP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CC[NH2+]CC1 ZINC000423365273 354172733 /nfs/dbraw/zinc/17/27/33/354172733.db2.gz WLIRPLHJZIEQOK-GFCCVEGCSA-N 2 2 282.388 -0.783 20 0 CBADLP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CC[NH2+]CC1 ZINC000423365273 354172735 /nfs/dbraw/zinc/17/27/35/354172735.db2.gz WLIRPLHJZIEQOK-GFCCVEGCSA-N 2 2 282.388 -0.783 20 0 CBADLP CC1(C)C[N@H+](CCNC(=O)[C@]23C[C@H]2CC[NH2+]3)CCO1 ZINC000423384336 354173932 /nfs/dbraw/zinc/17/39/32/354173932.db2.gz KXFFPUQZMKZJHY-RISCZKNCSA-N 2 2 267.373 -0.035 20 0 CBADLP CC1(C)C[N@@H+](CCNC(=O)[C@]23C[C@H]2CC[NH2+]3)CCO1 ZINC000423384336 354173933 /nfs/dbraw/zinc/17/39/33/354173933.db2.gz KXFFPUQZMKZJHY-RISCZKNCSA-N 2 2 267.373 -0.035 20 0 CBADLP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000422101156 354143864 /nfs/dbraw/zinc/14/38/64/354143864.db2.gz FCBGVTJEGHQGLM-GFCCVEGCSA-N 2 2 282.388 -0.687 20 0 CBADLP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000422101156 354143865 /nfs/dbraw/zinc/14/38/65/354143865.db2.gz FCBGVTJEGHQGLM-GFCCVEGCSA-N 2 2 282.388 -0.687 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000422865701 354156521 /nfs/dbraw/zinc/15/65/21/354156521.db2.gz PIUPRQVVNDKASN-AWEZNQCLSA-N 2 2 286.420 -0.068 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000422865701 354156528 /nfs/dbraw/zinc/15/65/28/354156528.db2.gz PIUPRQVVNDKASN-AWEZNQCLSA-N 2 2 286.420 -0.068 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[NH2+]C(C)(C)C2)CC1 ZINC000422973237 354158395 /nfs/dbraw/zinc/15/83/95/354158395.db2.gz BLZADDILUNMRLE-UHFFFAOYSA-N 2 2 282.388 -0.639 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)CC1 ZINC000422982395 354159522 /nfs/dbraw/zinc/15/95/22/354159522.db2.gz WNPCMBAJNONEEE-LLVKDONJSA-N 2 2 268.361 -0.900 20 0 CBADLP COC(=O)c1cn(CC[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)nn1 ZINC000423098507 354162735 /nfs/dbraw/zinc/16/27/35/354162735.db2.gz CYDVFUSFVMHCLU-VHSXEESVSA-N 2 2 267.333 -0.348 20 0 CBADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423543279 354179423 /nfs/dbraw/zinc/17/94/23/354179423.db2.gz UVGSUPDITHJQJH-CHWSQXEVSA-N 2 2 285.388 -0.327 20 0 CBADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423543279 354179426 /nfs/dbraw/zinc/17/94/26/354179426.db2.gz UVGSUPDITHJQJH-CHWSQXEVSA-N 2 2 285.388 -0.327 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000423632727 354186518 /nfs/dbraw/zinc/18/65/18/354186518.db2.gz KGRUQPDSGHYANP-SLEUVZQESA-N 2 2 298.431 -0.055 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000423632727 354186521 /nfs/dbraw/zinc/18/65/21/354186521.db2.gz KGRUQPDSGHYANP-SLEUVZQESA-N 2 2 298.431 -0.055 20 0 CBADLP CCCN(C(=O)C(=O)N1CC[NH+](CC)CC1)[C@H]1CC[NH2+]C1 ZINC000423659940 354189324 /nfs/dbraw/zinc/18/93/24/354189324.db2.gz IXCINGURWXTQKE-ZDUSSCGKSA-N 2 2 296.415 -0.249 20 0 CBADLP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000423664028 354190222 /nfs/dbraw/zinc/19/02/22/354190222.db2.gz HLFGEWGNFUBRBF-RQJABVFESA-N 2 2 279.384 -0.036 20 0 CBADLP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000423664028 354190228 /nfs/dbraw/zinc/19/02/28/354190228.db2.gz HLFGEWGNFUBRBF-RQJABVFESA-N 2 2 279.384 -0.036 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC1 ZINC000423678305 354191302 /nfs/dbraw/zinc/19/13/02/354191302.db2.gz QZFZFLMLKJLUIR-LLVKDONJSA-N 2 2 268.361 -0.900 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])CC1 ZINC000423691004 354192374 /nfs/dbraw/zinc/19/23/74/354192374.db2.gz ZMQBLQHDSBZDCC-QWHCGFSZSA-N 2 2 296.415 -0.121 20 0 CBADLP C[NH2+]CCC1CCN(C(=O)C(=O)N2CC[NH+](C)CC2)CC1 ZINC000423715828 354192973 /nfs/dbraw/zinc/19/29/73/354192973.db2.gz ZLNREISIJVWDTK-UHFFFAOYSA-N 2 2 296.415 -0.392 20 0 CBADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000423731325 354195050 /nfs/dbraw/zinc/19/50/50/354195050.db2.gz YWYMWURABJJEBG-UONOGXRCSA-N 2 2 298.431 -0.493 20 0 CBADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000423731325 354195052 /nfs/dbraw/zinc/19/50/52/354195052.db2.gz YWYMWURABJJEBG-UONOGXRCSA-N 2 2 298.431 -0.493 20 0 CBADLP Nc1cc[nH+]cc1C(=O)NCC[N@@H+]1CCCOCC1 ZINC000423831517 354200709 /nfs/dbraw/zinc/20/07/09/354200709.db2.gz RCDAGDJQMVZBEY-UHFFFAOYSA-N 2 2 264.329 -0.054 20 0 CBADLP Nc1cc[nH+]cc1C(=O)NCC[N@H+]1CCCOCC1 ZINC000423831517 354200715 /nfs/dbraw/zinc/20/07/15/354200715.db2.gz RCDAGDJQMVZBEY-UHFFFAOYSA-N 2 2 264.329 -0.054 20 0 CBADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC000423796258 354200822 /nfs/dbraw/zinc/20/08/22/354200822.db2.gz ZUQJTGFWMHJDLI-RYUDHWBXSA-N 2 2 299.371 -0.929 20 0 CBADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C2([NH3+])CCC2)CC1 ZINC000423796175 354201139 /nfs/dbraw/zinc/20/11/39/354201139.db2.gz ZPRREQCJWUOUMB-LLVKDONJSA-N 2 2 283.372 -0.036 20 0 CBADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H]2C[NH2+]CCO2)[C@@H](C)C1 ZINC000423864451 354202979 /nfs/dbraw/zinc/20/29/79/354202979.db2.gz YRMNQJKMAGQFLI-RYUDHWBXSA-N 2 2 299.371 -0.929 20 0 CBADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H]2C[NH2+]CCO2)[C@@H](C)C1 ZINC000423864451 354202982 /nfs/dbraw/zinc/20/29/82/354202982.db2.gz YRMNQJKMAGQFLI-RYUDHWBXSA-N 2 2 299.371 -0.929 20 0 CBADLP C[NH2+]CC(=O)N1CC[N@H+](CCC(=O)OC)[C@@H](C)C1 ZINC000423877891 354203200 /nfs/dbraw/zinc/20/32/00/354203200.db2.gz DFXCZLHNPMWCMB-JTQLQIEISA-N 2 2 257.334 -0.698 20 0 CBADLP C[NH2+]CC(=O)N1CC[N@@H+](CCC(=O)OC)[C@@H](C)C1 ZINC000423877891 354203205 /nfs/dbraw/zinc/20/32/05/354203205.db2.gz DFXCZLHNPMWCMB-JTQLQIEISA-N 2 2 257.334 -0.698 20 0 CBADLP C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000423864048 354203440 /nfs/dbraw/zinc/20/34/40/354203440.db2.gz ISABRKLGZACNKH-ZIAGYGMSSA-N 2 2 297.399 -0.456 20 0 CBADLP C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000423864048 354203441 /nfs/dbraw/zinc/20/34/41/354203441.db2.gz ISABRKLGZACNKH-ZIAGYGMSSA-N 2 2 297.399 -0.456 20 0 CBADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H]2CC[NH2+]2)[C@H](C)C1 ZINC000423864155 354203538 /nfs/dbraw/zinc/20/35/38/354203538.db2.gz XZUIQYXOWCXKAB-GHMZBOCLSA-N 2 2 269.345 -0.556 20 0 CBADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@H]2CC[NH2+]2)[C@H](C)C1 ZINC000423864155 354203540 /nfs/dbraw/zinc/20/35/40/354203540.db2.gz XZUIQYXOWCXKAB-GHMZBOCLSA-N 2 2 269.345 -0.556 20 0 CBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C2([NH3+])CCC2)C[C@@H]1C ZINC000423898240 354203841 /nfs/dbraw/zinc/20/38/41/354203841.db2.gz PIFFKQIJTDCZSM-NSHDSACASA-N 2 2 283.372 -0.036 20 0 CBADLP COC(=O)CC[N@H+]1CCN(C(=O)C2([NH3+])CCC2)C[C@@H]1C ZINC000423898240 354203846 /nfs/dbraw/zinc/20/38/46/354203846.db2.gz PIFFKQIJTDCZSM-NSHDSACASA-N 2 2 283.372 -0.036 20 0 CBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C2([NH3+])CC2)C[C@@H]1C ZINC000423904613 354204986 /nfs/dbraw/zinc/20/49/86/354204986.db2.gz XXDNLBWDMMZLEZ-JTQLQIEISA-N 2 2 269.345 -0.427 20 0 CBADLP COC(=O)CC[N@H+]1CCN(C(=O)C2([NH3+])CC2)C[C@@H]1C ZINC000423904613 354204989 /nfs/dbraw/zinc/20/49/89/354204989.db2.gz XXDNLBWDMMZLEZ-JTQLQIEISA-N 2 2 269.345 -0.427 20 0 CBADLP CN(CC[NH3+])C(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000423998565 354206878 /nfs/dbraw/zinc/20/68/78/354206878.db2.gz JHFZDQURSOTHBL-GFCCVEGCSA-N 2 2 255.362 -0.096 20 0 CBADLP CN(CC[NH3+])C(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000423998565 354206882 /nfs/dbraw/zinc/20/68/82/354206882.db2.gz JHFZDQURSOTHBL-GFCCVEGCSA-N 2 2 255.362 -0.096 20 0 CBADLP CN(CC[NH3+])C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000424002244 354207331 /nfs/dbraw/zinc/20/73/31/354207331.db2.gz IQRACKIHOFYXOF-UHFFFAOYSA-N 2 2 277.372 -0.379 20 0 CBADLP CC[C@@H]1CN(C(=O)[C@H]2C[NH2+]CCO2)C[C@@H]1[NH+]1CCOCC1 ZINC000424164443 354212836 /nfs/dbraw/zinc/21/28/36/354212836.db2.gz CICRAIAEAWRNMY-HZSPNIEDSA-N 2 2 297.399 -0.456 20 0 CBADLP CC[C@@H]1CN(C(=O)[C@H]2COCC[NH2+]2)C[C@@H]1[NH+]1CCOCC1 ZINC000424166561 354213304 /nfs/dbraw/zinc/21/33/04/354213304.db2.gz GGFZDYFRFIJQJR-MCIONIFRSA-N 2 2 297.399 -0.456 20 0 CBADLP COC(=O)C[C@H]([NH3+])C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424192948 354218318 /nfs/dbraw/zinc/21/83/18/354218318.db2.gz QESMZDNKCARLGP-SFYZADRCSA-N 2 2 279.287 -0.762 20 0 CBADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000424180802 354215270 /nfs/dbraw/zinc/21/52/70/354215270.db2.gz PPKSNTIIXXWZQD-KGLIPLIRSA-N 2 2 298.431 -0.541 20 0 CBADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000424180802 354215275 /nfs/dbraw/zinc/21/52/75/354215275.db2.gz PPKSNTIIXXWZQD-KGLIPLIRSA-N 2 2 298.431 -0.541 20 0 CBADLP C[C@H]([NH3+])C[NH+]1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000442661228 354258459 /nfs/dbraw/zinc/25/84/59/354258459.db2.gz FLTNHXXDRPVOKY-UFBFGSQYSA-N 2 2 254.334 -0.356 20 0 CBADLP COCC(C)(C)[NH+]1CCN(C(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000424217535 354219177 /nfs/dbraw/zinc/21/91/77/354219177.db2.gz MCGSXHDOEOMAFI-LBPRGKRZSA-N 2 2 285.388 -0.456 20 0 CBADLP CO[C@@H](C[NH3+])CC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000447440070 354298550 /nfs/dbraw/zinc/29/85/50/354298550.db2.gz LXAPATYWCGOKLD-WDEREUQCSA-N 2 2 259.350 -0.813 20 0 CBADLP CO[C@@H](C[NH3+])CC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000447440070 354298551 /nfs/dbraw/zinc/29/85/51/354298551.db2.gz LXAPATYWCGOKLD-WDEREUQCSA-N 2 2 259.350 -0.813 20 0 CBADLP CC[NH+]1CCN(CC(=O)N2CC[NH+](C[C@@H](C)O)CC2)CC1 ZINC000444385733 354271488 /nfs/dbraw/zinc/27/14/88/354271488.db2.gz XGEFYWSQLISPQZ-CQSZACIVSA-N 2 2 298.431 -0.851 20 0 CBADLP C[C@@H](CNC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1)[NH+](C)C ZINC000455432928 354359404 /nfs/dbraw/zinc/35/94/04/354359404.db2.gz OEHBYPRVQPVXLD-SDDRHHMPSA-N 2 2 270.377 -0.339 20 0 CBADLP C[C@@H](CNC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1)[NH+](C)C ZINC000455432928 354359408 /nfs/dbraw/zinc/35/94/08/354359408.db2.gz OEHBYPRVQPVXLD-SDDRHHMPSA-N 2 2 270.377 -0.339 20 0 CBADLP C[C@@H]1C[C@H](O)C[NH+](C[C@@H](O)C[N@@H+]2C[C@@H](C)C[C@H](O)C2)C1 ZINC000452065679 354346557 /nfs/dbraw/zinc/34/65/57/354346557.db2.gz DGFXUOYPYBJJPC-AICCOOGYSA-N 2 2 286.416 -0.247 20 0 CBADLP C[C@@H]1C[C@H](O)C[NH+](C[C@@H](O)C[N@H+]2C[C@@H](C)C[C@H](O)C2)C1 ZINC000452065679 354346560 /nfs/dbraw/zinc/34/65/60/354346560.db2.gz DGFXUOYPYBJJPC-AICCOOGYSA-N 2 2 286.416 -0.247 20 0 CBADLP C[C@@H]1C[C@H](O)C[N@H+](C[C@@H](O)C[NH+]2C[C@@H](C)C[C@H](O)C2)C1 ZINC000452065679 354346562 /nfs/dbraw/zinc/34/65/62/354346562.db2.gz DGFXUOYPYBJJPC-AICCOOGYSA-N 2 2 286.416 -0.247 20 0 CBADLP C[C@@H]1C[C@H](O)C[N@@H+](C[C@@H](O)C[NH+]2C[C@@H](C)C[C@H](O)C2)C1 ZINC000452065679 354346565 /nfs/dbraw/zinc/34/65/65/354346565.db2.gz DGFXUOYPYBJJPC-AICCOOGYSA-N 2 2 286.416 -0.247 20 0 CBADLP C[C@H](CNC(=O)NC[C@H](C)[NH+](C)C)[NH+]1CCOCC1 ZINC000454250395 354354748 /nfs/dbraw/zinc/35/47/48/354354748.db2.gz RDOXCHNXQNHLHN-NWDGAFQWSA-N 2 2 272.393 -0.044 20 0 CBADLP CN(C[C@H]1CC[N@H+](C)C1)C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000458323567 354375866 /nfs/dbraw/zinc/37/58/66/354375866.db2.gz XLPVQUZFAALRRU-STQMWFEESA-N 2 2 284.404 -0.090 20 0 CBADLP CN(C[C@H]1CC[N@@H+](C)C1)C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000458323567 354375869 /nfs/dbraw/zinc/37/58/69/354375869.db2.gz XLPVQUZFAALRRU-STQMWFEESA-N 2 2 284.404 -0.090 20 0 CBADLP CN(C[C@H]1CC[NH+](C)C1)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000458323567 354375871 /nfs/dbraw/zinc/37/58/71/354375871.db2.gz XLPVQUZFAALRRU-STQMWFEESA-N 2 2 284.404 -0.090 20 0 CBADLP CN(C[C@H]1CC[NH+](C)C1)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000458323567 354375874 /nfs/dbraw/zinc/37/58/74/354375874.db2.gz XLPVQUZFAALRRU-STQMWFEESA-N 2 2 284.404 -0.090 20 0 CBADLP C[NH+]1CCN(C(=O)NCC[N@@H+]2CCCOCC2)CC1 ZINC000458845799 354380202 /nfs/dbraw/zinc/38/02/02/354380202.db2.gz OMRBZOMFMGTZAC-UHFFFAOYSA-N 2 2 270.377 -0.334 20 0 CBADLP C[NH+]1CCN(C(=O)NCC[N@H+]2CCCOCC2)CC1 ZINC000458845799 354380204 /nfs/dbraw/zinc/38/02/04/354380204.db2.gz OMRBZOMFMGTZAC-UHFFFAOYSA-N 2 2 270.377 -0.334 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[NH+](C(C)C)CC2)CC1 ZINC000459802415 354386942 /nfs/dbraw/zinc/38/69/42/354386942.db2.gz ARFKXJXGGMVLID-UHFFFAOYSA-N 2 2 296.415 -0.297 20 0 CBADLP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000459900090 354392276 /nfs/dbraw/zinc/39/22/76/354392276.db2.gz ILJUELWKOKUSDP-UHFFFAOYSA-N 2 2 298.431 -0.193 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](CCO)C[C@H]2C)C1 ZINC000457119725 354368492 /nfs/dbraw/zinc/36/84/92/354368492.db2.gz KXPDHBJQHOQAMV-CHWSQXEVSA-N 2 2 285.388 -0.768 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](CCO)C[C@H]2C)C1 ZINC000457119725 354368494 /nfs/dbraw/zinc/36/84/94/354368494.db2.gz KXPDHBJQHOQAMV-CHWSQXEVSA-N 2 2 285.388 -0.768 20 0 CBADLP CC[NH+]1CCO[C@@H](C(=O)N2CC[N@H+](CCO)C[C@H]2C)C1 ZINC000457119725 354368496 /nfs/dbraw/zinc/36/84/96/354368496.db2.gz KXPDHBJQHOQAMV-CHWSQXEVSA-N 2 2 285.388 -0.768 20 0 CBADLP CC[NH+]1CCO[C@@H](C(=O)N2CC[N@@H+](CCO)C[C@H]2C)C1 ZINC000457119725 354368498 /nfs/dbraw/zinc/36/84/98/354368498.db2.gz KXPDHBJQHOQAMV-CHWSQXEVSA-N 2 2 285.388 -0.768 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC000457094990 354368829 /nfs/dbraw/zinc/36/88/29/354368829.db2.gz HXASUCDTRDGTIS-KGLIPLIRSA-N 2 2 299.415 -0.520 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC000457094990 354368832 /nfs/dbraw/zinc/36/88/32/354368832.db2.gz HXASUCDTRDGTIS-KGLIPLIRSA-N 2 2 299.415 -0.520 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N1CC[NH+](CCO)C[C@H]1C ZINC000457118824 354368849 /nfs/dbraw/zinc/36/88/49/354368849.db2.gz KLEMDWNCUQFHRA-GFCCVEGCSA-N 2 2 257.378 -0.148 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N1CC[NH+](CCO)C[C@H]1C ZINC000457118824 354368852 /nfs/dbraw/zinc/36/88/52/354368852.db2.gz KLEMDWNCUQFHRA-GFCCVEGCSA-N 2 2 257.378 -0.148 20 0 CBADLP CC(C)[NH+](C)CC(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC000457118824 354368853 /nfs/dbraw/zinc/36/88/53/354368853.db2.gz KLEMDWNCUQFHRA-GFCCVEGCSA-N 2 2 257.378 -0.148 20 0 CBADLP CC(C)[NH+](C)CC(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC000457118824 354368857 /nfs/dbraw/zinc/36/88/57/354368857.db2.gz KLEMDWNCUQFHRA-GFCCVEGCSA-N 2 2 257.378 -0.148 20 0 CBADLP COCC[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@@H]1CCO[C@H]1C ZINC000489467488 354433196 /nfs/dbraw/zinc/43/31/96/354433196.db2.gz USVPHENEHQCIMZ-UONOGXRCSA-N 2 2 299.415 -0.114 20 0 CBADLP COCC[N@@H+](CC(=O)N1CC[NH+](C)CC1)[C@@H]1CCO[C@H]1C ZINC000489467488 354433199 /nfs/dbraw/zinc/43/31/99/354433199.db2.gz USVPHENEHQCIMZ-UONOGXRCSA-N 2 2 299.415 -0.114 20 0 CBADLP Cn1cc[nH+]c1CNC(=O)NCCOCC[NH+](C)C ZINC000471643014 354401386 /nfs/dbraw/zinc/40/13/86/354401386.db2.gz NXYQXNQYHHQDLQ-UHFFFAOYSA-N 2 2 269.349 -0.203 20 0 CBADLP C[NH+](C)C/C=C/C(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000492141397 354467948 /nfs/dbraw/zinc/46/79/48/354467948.db2.gz YZQAYDWIZRRTOZ-XMXMHJJKSA-N 2 2 253.346 -0.354 20 0 CBADLP C[NH+](C)C/C=C/C(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000492141397 354467951 /nfs/dbraw/zinc/46/79/51/354467951.db2.gz YZQAYDWIZRRTOZ-XMXMHJJKSA-N 2 2 253.346 -0.354 20 0 CBADLP C[C@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CC[N@@H+]1CCO ZINC000492891384 354483858 /nfs/dbraw/zinc/48/38/58/354483858.db2.gz CUUQAFRXXYENJE-VUDBWIFFSA-N 2 2 264.329 -0.052 20 0 CBADLP C[C@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CC[N@H+]1CCO ZINC000492891384 354483861 /nfs/dbraw/zinc/48/38/61/354483861.db2.gz CUUQAFRXXYENJE-VUDBWIFFSA-N 2 2 264.329 -0.052 20 0 CBADLP CC[C@]1(O)CC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000495186500 354499605 /nfs/dbraw/zinc/49/96/05/354499605.db2.gz BEZIGXDXFWZYII-ZDUSSCGKSA-N 2 2 255.362 -0.393 20 0 CBADLP CC[C@]1(O)CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000495186500 354499608 /nfs/dbraw/zinc/49/96/08/354499608.db2.gz BEZIGXDXFWZYII-ZDUSSCGKSA-N 2 2 255.362 -0.393 20 0 CBADLP CC[C@@]1(O)CC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000495186499 354499666 /nfs/dbraw/zinc/49/96/66/354499666.db2.gz BEZIGXDXFWZYII-CYBMUJFWSA-N 2 2 255.362 -0.393 20 0 CBADLP CC[C@@]1(O)CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000495186499 354499667 /nfs/dbraw/zinc/49/96/67/354499667.db2.gz BEZIGXDXFWZYII-CYBMUJFWSA-N 2 2 255.362 -0.393 20 0 CBADLP CC[N@@H+]1CC[C@H]2OCCN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@H]2C1 ZINC000502660744 354554203 /nfs/dbraw/zinc/55/42/03/354554203.db2.gz GOANPOXBYKVCML-MJBXVCDLSA-N 2 2 297.399 -0.361 20 0 CBADLP CC[N@H+]1CC[C@H]2OCCN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@H]2C1 ZINC000502660744 354554206 /nfs/dbraw/zinc/55/42/06/354554206.db2.gz GOANPOXBYKVCML-MJBXVCDLSA-N 2 2 297.399 -0.361 20 0 CBADLP CC[NH+]1CC[C@H]2OCCN(C(=O)[C@@H]3C[N@H+](C)CCO3)[C@H]2C1 ZINC000502660744 354554209 /nfs/dbraw/zinc/55/42/09/354554209.db2.gz GOANPOXBYKVCML-MJBXVCDLSA-N 2 2 297.399 -0.361 20 0 CBADLP CC[NH+]1CC[C@H]2OCCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)[C@H]2C1 ZINC000502660744 354554213 /nfs/dbraw/zinc/55/42/13/354554213.db2.gz GOANPOXBYKVCML-MJBXVCDLSA-N 2 2 297.399 -0.361 20 0 CBADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000515523114 354556208 /nfs/dbraw/zinc/55/62/08/354556208.db2.gz OFXMTXKBSIXWGH-UTUOFQBUSA-N 3 2 269.393 -0.731 20 0 CBADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000515523114 354556210 /nfs/dbraw/zinc/55/62/10/354556210.db2.gz OFXMTXKBSIXWGH-UTUOFQBUSA-N 3 2 269.393 -0.731 20 0 CBADLP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@H](C)[NH+]1CCN(C)CC1 ZINC000520409789 354566739 /nfs/dbraw/zinc/56/67/39/354566739.db2.gz XBLQHNUVIRWIML-TUAOUCFPSA-N 2 2 256.394 -0.136 20 0 CBADLP O=C(NC[C@H]1COCC[NH2+]1)N1CCn2c[nH+]cc2C1 ZINC000529388908 354584787 /nfs/dbraw/zinc/58/47/87/354584787.db2.gz UTQIXMGZVGAYDA-JTQLQIEISA-N 2 2 265.317 -0.603 20 0 CBADLP Cc1nc(N2CC[NH2+][C@@H](C(N)=O)C2)c2c([nH+]1)CCCC2 ZINC000542009136 354629053 /nfs/dbraw/zinc/62/90/53/354629053.db2.gz USTZVQMWSMNSHP-GFCCVEGCSA-N 2 2 275.356 -0.073 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@]2(C)CO)CC1 ZINC000545400928 354647708 /nfs/dbraw/zinc/64/77/08/354647708.db2.gz FIDXUYRLCJKBIZ-CYBMUJFWSA-N 2 2 255.362 -0.393 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@]2(C)CO)CC1 ZINC000545400928 354647712 /nfs/dbraw/zinc/64/77/12/354647712.db2.gz FIDXUYRLCJKBIZ-CYBMUJFWSA-N 2 2 255.362 -0.393 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@]2(C)CO)CC1 ZINC000545400929 354648195 /nfs/dbraw/zinc/64/81/95/354648195.db2.gz FIDXUYRLCJKBIZ-ZDUSSCGKSA-N 2 2 255.362 -0.393 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@]2(C)CO)CC1 ZINC000545400929 354648199 /nfs/dbraw/zinc/64/81/99/354648199.db2.gz FIDXUYRLCJKBIZ-ZDUSSCGKSA-N 2 2 255.362 -0.393 20 0 CBADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000536067063 354605551 /nfs/dbraw/zinc/60/55/51/354605551.db2.gz LDZAAUOGJJMKFQ-DTWKUNHWSA-N 2 2 265.317 -0.207 20 0 CBADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000536067063 354605556 /nfs/dbraw/zinc/60/55/56/354605556.db2.gz LDZAAUOGJJMKFQ-DTWKUNHWSA-N 2 2 265.317 -0.207 20 0 CBADLP COCCN(CC[NH+](C)C)C(=O)Cc1c[nH+]cn1C ZINC000547544018 354662879 /nfs/dbraw/zinc/66/28/79/354662879.db2.gz YTGFNHMTPJIGKQ-UHFFFAOYSA-N 2 2 268.361 -0.001 20 0 CBADLP CN1C[C@H]([NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)CC1=O ZINC000562960051 354689657 /nfs/dbraw/zinc/68/96/57/354689657.db2.gz JVCFWZOQKWHCKW-NQBHXWOUSA-N 2 2 253.346 -0.426 20 0 CBADLP CN1C[C@H]([NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC1=O ZINC000562960050 354689913 /nfs/dbraw/zinc/68/99/13/354689913.db2.gz JVCFWZOQKWHCKW-MDZLAQPJSA-N 2 2 253.346 -0.426 20 0 CBADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)Cn1cccn1 ZINC000562986351 354690955 /nfs/dbraw/zinc/69/09/55/354690955.db2.gz XGRCSJWVNXMQDR-ZIAGYGMSSA-N 2 2 282.388 -0.056 20 0 CBADLP COCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)Cn1cccn1 ZINC000562986351 354690959 /nfs/dbraw/zinc/69/09/59/354690959.db2.gz XGRCSJWVNXMQDR-ZIAGYGMSSA-N 2 2 282.388 -0.056 20 0 CBADLP C[NH+]1CCC(C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])CC1 ZINC000563101632 354696603 /nfs/dbraw/zinc/69/66/03/354696603.db2.gz JZSIPKIQINMKSY-GFCCVEGCSA-N 3 2 254.378 -0.571 20 0 CBADLP C[NH+]1CCC(C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])CC1 ZINC000563101632 354696606 /nfs/dbraw/zinc/69/66/06/354696606.db2.gz JZSIPKIQINMKSY-GFCCVEGCSA-N 3 2 254.378 -0.571 20 0 CBADLP COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CC[NH2+]C2)C1 ZINC000563098417 354696984 /nfs/dbraw/zinc/69/69/84/354696984.db2.gz UKXSOMDRARZIDU-RYUDHWBXSA-N 2 2 283.372 -0.403 20 0 CBADLP COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CC[NH2+]C2)C1 ZINC000563098417 354696986 /nfs/dbraw/zinc/69/69/86/354696986.db2.gz UKXSOMDRARZIDU-RYUDHWBXSA-N 2 2 283.372 -0.403 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[NH2+]CC2)CC1 ZINC000563152995 354700129 /nfs/dbraw/zinc/70/01/29/354700129.db2.gz DJMXBSVUGCLIKV-UHFFFAOYSA-N 3 2 254.378 -0.554 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[NH2+]CC2)CC1 ZINC000563152995 354700131 /nfs/dbraw/zinc/70/01/31/354700131.db2.gz DJMXBSVUGCLIKV-UHFFFAOYSA-N 3 2 254.378 -0.554 20 0 CBADLP COC1(C(=O)NCC[N@@H+]2CCO[C@H](C)C2)CC[NH2+]CC1 ZINC000563198352 354701572 /nfs/dbraw/zinc/70/15/72/354701572.db2.gz SNKREAGPQZRCOP-GFCCVEGCSA-N 2 2 285.388 -0.408 20 0 CBADLP COC1(C(=O)NCC[N@H+]2CCO[C@H](C)C2)CC[NH2+]CC1 ZINC000563198352 354701578 /nfs/dbraw/zinc/70/15/78/354701578.db2.gz SNKREAGPQZRCOP-GFCCVEGCSA-N 2 2 285.388 -0.408 20 0 CBADLP COC1(C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)CC[NH2+]CC1 ZINC000563198353 354702065 /nfs/dbraw/zinc/70/20/65/354702065.db2.gz SNKREAGPQZRCOP-LBPRGKRZSA-N 2 2 285.388 -0.408 20 0 CBADLP COC1(C(=O)NCC[N@H+]2CCO[C@@H](C)C2)CC[NH2+]CC1 ZINC000563198353 354702068 /nfs/dbraw/zinc/70/20/68/354702068.db2.gz SNKREAGPQZRCOP-LBPRGKRZSA-N 2 2 285.388 -0.408 20 0 CBADLP O=C1NCCN1CC[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000563220649 354703734 /nfs/dbraw/zinc/70/37/34/354703734.db2.gz UFARIMDYOCTFHG-UHFFFAOYSA-N 2 2 296.415 -0.162 20 0 CBADLP [NH3+]CC12CCC(CC1)C[N@@H+]2CCN1C(=O)CNC1=O ZINC000565221784 354732915 /nfs/dbraw/zinc/73/29/15/354732915.db2.gz LVKDKHYVZPTMLE-UHFFFAOYSA-N 2 2 266.345 -0.259 20 0 CBADLP [NH3+]CC12CCC(CC1)C[N@H+]2CCN1C(=O)CNC1=O ZINC000565221784 354732918 /nfs/dbraw/zinc/73/29/18/354732918.db2.gz LVKDKHYVZPTMLE-UHFFFAOYSA-N 2 2 266.345 -0.259 20 0 CBADLP COC[C@@H]1CCN(C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])C1 ZINC000563888702 354707179 /nfs/dbraw/zinc/70/71/79/354707179.db2.gz CNWRVJDXTUBDSG-NEPJUHHUSA-N 2 2 270.377 -0.351 20 0 CBADLP COC[C@@H]1CCN(C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])C1 ZINC000563888702 354707180 /nfs/dbraw/zinc/70/71/80/354707180.db2.gz CNWRVJDXTUBDSG-NEPJUHHUSA-N 2 2 270.377 -0.351 20 0 CBADLP CC[C@@H]1CN(C(=O)[C@H](C[NH3+])OC)C[C@H]1[NH+]1CCOCC1 ZINC000564564176 354712918 /nfs/dbraw/zinc/71/29/18/354712918.db2.gz MWPGDPHIFADGHC-UPJWGTAASA-N 2 2 285.388 -0.471 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)NCCC[C@H]1CCC[NH2+]1 ZINC000564655589 354714550 /nfs/dbraw/zinc/71/45/50/354714550.db2.gz NTIGXTHYZGQFOL-LLVKDONJSA-N 2 2 268.361 -0.933 20 0 CBADLP COCC[N@H+](C)CCNC(=O)[C@H]([NH3+])c1cscn1 ZINC000564895940 354719273 /nfs/dbraw/zinc/71/92/73/354719273.db2.gz DIHJPLMLKSCVDP-SNVBAGLBSA-N 2 2 272.374 -0.163 20 0 CBADLP COCC[N@@H+](C)CCNC(=O)[C@H]([NH3+])c1cscn1 ZINC000564895940 354719275 /nfs/dbraw/zinc/71/92/75/354719275.db2.gz DIHJPLMLKSCVDP-SNVBAGLBSA-N 2 2 272.374 -0.163 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NCC[C@H](C)[NH3+] ZINC000564947718 354722136 /nfs/dbraw/zinc/72/21/36/354722136.db2.gz WZCKFSKPJCZTNO-JTQLQIEISA-N 2 2 258.366 -0.704 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NCC[C@H](C)[NH3+] ZINC000564947718 354722137 /nfs/dbraw/zinc/72/21/37/354722137.db2.gz WZCKFSKPJCZTNO-JTQLQIEISA-N 2 2 258.366 -0.704 20 0 CBADLP C[C@H](C[NH2+]C[C@@H](O)C[NH+]1CCCC1)S(C)(=O)=O ZINC000564974182 354722817 /nfs/dbraw/zinc/72/28/17/354722817.db2.gz CQBZHGKPORSCTM-GHMZBOCLSA-N 2 2 264.391 -0.534 20 0 CBADLP CC(C)[N@@H+]1CCCN(C(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000565038172 354726480 /nfs/dbraw/zinc/72/64/80/354726480.db2.gz MXYSRLGVPVAISG-UHFFFAOYSA-N 2 2 282.388 -0.639 20 0 CBADLP CC(C)[N@H+]1CCCN(C(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000565038172 354726483 /nfs/dbraw/zinc/72/64/83/354726483.db2.gz MXYSRLGVPVAISG-UHFFFAOYSA-N 2 2 282.388 -0.639 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@]1(C)C(N)=O ZINC000565158184 354730379 /nfs/dbraw/zinc/73/03/79/354730379.db2.gz RFZRBUUTQCHLEJ-GXTWGEPZSA-N 2 2 287.404 -0.345 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@]1(C)C(N)=O ZINC000565158184 354730381 /nfs/dbraw/zinc/73/03/81/354730381.db2.gz RFZRBUUTQCHLEJ-GXTWGEPZSA-N 2 2 287.404 -0.345 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@]1(C)C(N)=O ZINC000565158184 354730382 /nfs/dbraw/zinc/73/03/82/354730382.db2.gz RFZRBUUTQCHLEJ-GXTWGEPZSA-N 2 2 287.404 -0.345 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@]1(C)C(N)=O ZINC000565158184 354730384 /nfs/dbraw/zinc/73/03/84/354730384.db2.gz RFZRBUUTQCHLEJ-GXTWGEPZSA-N 2 2 287.404 -0.345 20 0 CBADLP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000565834411 354746956 /nfs/dbraw/zinc/74/69/56/354746956.db2.gz MXIWIRFSSRMWMQ-GXFFZTMASA-N 2 2 268.361 -0.094 20 0 CBADLP CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000565834411 354746961 /nfs/dbraw/zinc/74/69/61/354746961.db2.gz MXIWIRFSSRMWMQ-GXFFZTMASA-N 2 2 268.361 -0.094 20 0 CBADLP CCC[C@H](C(=O)OCC)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000565844356 354747510 /nfs/dbraw/zinc/74/75/10/354747510.db2.gz ZSMHMKIAAHKLOS-QJPTWQEYSA-N 2 2 283.372 -0.038 20 0 CBADLP CCC[C@H](C(=O)OCC)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000565844356 354747515 /nfs/dbraw/zinc/74/75/15/354747515.db2.gz ZSMHMKIAAHKLOS-QJPTWQEYSA-N 2 2 283.372 -0.038 20 0 CBADLP CNC(=O)[C@H]1CCCC[N@@H+]1C[C@H](O)C[NH+](C)CCOC ZINC000567565690 354790690 /nfs/dbraw/zinc/79/06/90/354790690.db2.gz ZDVNPWVNTYDXJD-CHWSQXEVSA-N 2 2 287.404 -0.474 20 0 CBADLP CNC(=O)[C@H]1CCCC[N@H+]1C[C@H](O)C[NH+](C)CCOC ZINC000567565690 354790694 /nfs/dbraw/zinc/79/06/94/354790694.db2.gz ZDVNPWVNTYDXJD-CHWSQXEVSA-N 2 2 287.404 -0.474 20 0 CBADLP CNC(=O)[C@H]1CCCC[NH+]1C[C@H](O)C[N@H+](C)CCOC ZINC000567565690 354790696 /nfs/dbraw/zinc/79/06/96/354790696.db2.gz ZDVNPWVNTYDXJD-CHWSQXEVSA-N 2 2 287.404 -0.474 20 0 CBADLP CNC(=O)[C@H]1CCCC[NH+]1C[C@H](O)C[N@@H+](C)CCOC ZINC000567565690 354790700 /nfs/dbraw/zinc/79/07/00/354790700.db2.gz ZDVNPWVNTYDXJD-CHWSQXEVSA-N 2 2 287.404 -0.474 20 0 CBADLP CN(Cc1[nH+]ccn1C)C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000566250962 354759943 /nfs/dbraw/zinc/75/99/43/354759943.db2.gz JVNBTXJUNNPADG-NSHDSACASA-N 2 2 293.371 -0.363 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)C[C@@H]2CCC[NH2+]2)CCO1 ZINC000566286441 354761993 /nfs/dbraw/zinc/76/19/93/354761993.db2.gz NMWAOMDRXYHQFT-RYUDHWBXSA-N 2 2 255.362 -0.035 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)C[C@@H]2CCC[NH2+]2)CCO1 ZINC000566286441 354761994 /nfs/dbraw/zinc/76/19/94/354761994.db2.gz NMWAOMDRXYHQFT-RYUDHWBXSA-N 2 2 255.362 -0.035 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](C)C[C@H]1C(N)=O ZINC000566416636 354764985 /nfs/dbraw/zinc/76/49/85/354764985.db2.gz NQDLXNLSFWTZJQ-AVGNSLFASA-N 2 2 287.404 -0.489 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](C)C[C@H]1C(N)=O ZINC000566416636 354764988 /nfs/dbraw/zinc/76/49/88/354764988.db2.gz NQDLXNLSFWTZJQ-AVGNSLFASA-N 2 2 287.404 -0.489 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](C)C[C@H]1C(N)=O ZINC000566416636 354764991 /nfs/dbraw/zinc/76/49/91/354764991.db2.gz NQDLXNLSFWTZJQ-AVGNSLFASA-N 2 2 287.404 -0.489 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](C)C[C@H]1C(N)=O ZINC000566416636 354764994 /nfs/dbraw/zinc/76/49/94/354764994.db2.gz NQDLXNLSFWTZJQ-AVGNSLFASA-N 2 2 287.404 -0.489 20 0 CBADLP Cn1ccc(C[NH2+][C@H]2CC(=O)N(CCC[NH+](C)C)C2=O)n1 ZINC000566413892 354765682 /nfs/dbraw/zinc/76/56/82/354765682.db2.gz WBYWAJPUXKZTMU-LBPRGKRZSA-N 2 2 293.371 -0.411 20 0 CBADLP CN(C)C(=O)c1ccc(CN2CC[N@H+](C)C[C@H]2C[NH3+])[nH]1 ZINC000566620180 354771885 /nfs/dbraw/zinc/77/18/85/354771885.db2.gz QQJYEHUMACRLFQ-GFCCVEGCSA-N 2 2 279.388 -0.209 20 0 CBADLP CN(C)C(=O)c1ccc(CN2CC[N@@H+](C)C[C@H]2C[NH3+])[nH]1 ZINC000566620180 354771887 /nfs/dbraw/zinc/77/18/87/354771887.db2.gz QQJYEHUMACRLFQ-GFCCVEGCSA-N 2 2 279.388 -0.209 20 0 CBADLP CN(C)C(=O)[C@@H]1CC[C@@H](C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)O1 ZINC000566673629 354772668 /nfs/dbraw/zinc/77/26/68/354772668.db2.gz UVHBQXIJICEXRO-IHRRRGAJSA-N 2 2 299.415 -0.333 20 0 CBADLP CN(C)C(=O)[C@@H]1CC[C@@H](C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)O1 ZINC000566673629 354772671 /nfs/dbraw/zinc/77/26/71/354772671.db2.gz UVHBQXIJICEXRO-IHRRRGAJSA-N 2 2 299.415 -0.333 20 0 CBADLP CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)O1 ZINC000566673631 354772921 /nfs/dbraw/zinc/77/29/21/354772921.db2.gz UVHBQXIJICEXRO-MJBXVCDLSA-N 2 2 299.415 -0.333 20 0 CBADLP CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)O1 ZINC000566673631 354772923 /nfs/dbraw/zinc/77/29/23/354772923.db2.gz UVHBQXIJICEXRO-MJBXVCDLSA-N 2 2 299.415 -0.333 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(N2CN=NC2=O)CC1 ZINC000566687174 354773732 /nfs/dbraw/zinc/77/37/32/354773732.db2.gz XAYQWBUDOGQAOX-LBPRGKRZSA-N 2 2 283.376 -0.067 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(N2CN=NC2=O)CC1 ZINC000566687174 354773735 /nfs/dbraw/zinc/77/37/35/354773735.db2.gz XAYQWBUDOGQAOX-LBPRGKRZSA-N 2 2 283.376 -0.067 20 0 CBADLP C[C@@H](CS(C)(=O)=O)[N@H+](CCN1CC[NH2+]CC1)C1CC1 ZINC000566738650 354774649 /nfs/dbraw/zinc/77/46/49/354774649.db2.gz BMJKBSATKWNMKY-LBPRGKRZSA-N 2 2 289.445 -0.211 20 0 CBADLP C[C@@H](CS(C)(=O)=O)[N@@H+](CCN1CC[NH2+]CC1)C1CC1 ZINC000566738650 354774650 /nfs/dbraw/zinc/77/46/50/354774650.db2.gz BMJKBSATKWNMKY-LBPRGKRZSA-N 2 2 289.445 -0.211 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC[C@H]([NH3+])C1 ZINC000567232980 354783138 /nfs/dbraw/zinc/78/31/38/354783138.db2.gz SMLRNUGRJARORG-JTQLQIEISA-N 2 2 256.350 -0.998 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CC[C@H]([NH3+])C1 ZINC000567232980 354783141 /nfs/dbraw/zinc/78/31/41/354783141.db2.gz SMLRNUGRJARORG-JTQLQIEISA-N 2 2 256.350 -0.998 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)CC1(C[NH3+])CC1 ZINC000567231754 354783327 /nfs/dbraw/zinc/78/33/27/354783327.db2.gz RTORUBJAQZZQKQ-LLVKDONJSA-N 2 2 255.362 -0.048 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)CC1(C[NH3+])CC1 ZINC000567231754 354783328 /nfs/dbraw/zinc/78/33/28/354783328.db2.gz RTORUBJAQZZQKQ-LLVKDONJSA-N 2 2 255.362 -0.048 20 0 CBADLP CC1(C)C[NH+](CC(=O)N2CC[NH+](CCO)CC2)C1 ZINC000567288322 354785052 /nfs/dbraw/zinc/78/50/52/354785052.db2.gz MGAIJUSJBVWRDZ-UHFFFAOYSA-N 2 2 255.362 -0.535 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000565418884 354737984 /nfs/dbraw/zinc/73/79/84/354737984.db2.gz JOGSUFMNZZFCEO-GFCCVEGCSA-N 2 2 271.361 -0.845 20 0 CBADLP COC(=O)CN(C)C(=O)CC[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000565481974 354739636 /nfs/dbraw/zinc/73/96/36/354739636.db2.gz MZPJMEFBCZBOSK-SNVBAGLBSA-N 2 2 257.334 -0.569 20 0 CBADLP COC(=O)CN(C)C(=O)CC[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000565481974 354739637 /nfs/dbraw/zinc/73/96/37/354739637.db2.gz MZPJMEFBCZBOSK-SNVBAGLBSA-N 2 2 257.334 -0.569 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)COC1CC[NH2+]CC1 ZINC000565653952 354742847 /nfs/dbraw/zinc/74/28/47/354742847.db2.gz GKZSDOZKPZZYCZ-LBPRGKRZSA-N 2 2 285.388 -0.408 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)COC1CC[NH2+]CC1 ZINC000565653952 354742849 /nfs/dbraw/zinc/74/28/49/354742849.db2.gz GKZSDOZKPZZYCZ-LBPRGKRZSA-N 2 2 285.388 -0.408 20 0 CBADLP CCC[C@H](O)[C@H](CO)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000567872569 354801573 /nfs/dbraw/zinc/80/15/73/354801573.db2.gz BFGFHHRKKLOYSZ-AVGNSLFASA-N 2 2 260.378 -0.447 20 0 CBADLP CCC[C@H](O)[C@H](CO)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000567872569 354801575 /nfs/dbraw/zinc/80/15/75/354801575.db2.gz BFGFHHRKKLOYSZ-AVGNSLFASA-N 2 2 260.378 -0.447 20 0 CBADLP CCC[C@H](O)[C@H](CO)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000567872568 354801788 /nfs/dbraw/zinc/80/17/88/354801788.db2.gz BFGFHHRKKLOYSZ-AGIUHOORSA-N 2 2 260.378 -0.447 20 0 CBADLP CCC[C@H](O)[C@H](CO)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000567872568 354801789 /nfs/dbraw/zinc/80/17/89/354801789.db2.gz BFGFHHRKKLOYSZ-AGIUHOORSA-N 2 2 260.378 -0.447 20 0 CBADLP C[C@@H](c1nnnn1C)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000567895473 354803562 /nfs/dbraw/zinc/80/35/62/354803562.db2.gz KJPGWCRYZUHEEC-WDEREUQCSA-N 2 2 280.376 -0.042 20 0 CBADLP C[C@@H](c1nnnn1C)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000567895473 354803564 /nfs/dbraw/zinc/80/35/64/354803564.db2.gz KJPGWCRYZUHEEC-WDEREUQCSA-N 2 2 280.376 -0.042 20 0 CBADLP CCCCCNC(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000568268301 354819255 /nfs/dbraw/zinc/81/92/55/354819255.db2.gz UTNDWLKTXVWARF-VXGBXAGGSA-N 2 2 282.388 -0.463 20 0 CBADLP CCCCCNC(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000568268301 354819258 /nfs/dbraw/zinc/81/92/58/354819258.db2.gz UTNDWLKTXVWARF-VXGBXAGGSA-N 2 2 282.388 -0.463 20 0 CBADLP CC[C@H](C)NC(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000568267739 354819523 /nfs/dbraw/zinc/81/95/23/354819523.db2.gz MBIHYAPLEKBXTK-HBNTYKKESA-N 2 2 268.361 -0.855 20 0 CBADLP CC[C@H](C)NC(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000568267739 354819526 /nfs/dbraw/zinc/81/95/26/354819526.db2.gz MBIHYAPLEKBXTK-HBNTYKKESA-N 2 2 268.361 -0.855 20 0 CBADLP C[C@@H]1CN(C[C@@H](O)C[NH2+]CCn2cc[nH+]c2)C[C@@H](C)O1 ZINC000568621600 354827589 /nfs/dbraw/zinc/82/75/89/354827589.db2.gz XEBNWPMTTJLIGF-MCIONIFRSA-N 2 2 282.388 -0.057 20 0 CBADLP CCCCNC(=O)[C@H](C)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000568664737 354829498 /nfs/dbraw/zinc/82/94/98/354829498.db2.gz RRFSBTHITYBRGS-SRVKXCTJSA-N 2 2 282.388 -0.465 20 0 CBADLP CCCCNC(=O)[C@H](C)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000568664737 354829501 /nfs/dbraw/zinc/82/95/01/354829501.db2.gz RRFSBTHITYBRGS-SRVKXCTJSA-N 2 2 282.388 -0.465 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)CC(F)(F)C[NH3+] ZINC000567745257 354795203 /nfs/dbraw/zinc/79/52/03/354795203.db2.gz JKYWVTSRCBOOQE-VIFPVBQESA-N 2 2 265.304 -0.193 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)CC(F)(F)C[NH3+] ZINC000567745257 354795208 /nfs/dbraw/zinc/79/52/08/354795208.db2.gz JKYWVTSRCBOOQE-VIFPVBQESA-N 2 2 265.304 -0.193 20 0 CBADLP CNS(=O)(=O)[C@H]1CCC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000570928166 354873019 /nfs/dbraw/zinc/87/30/19/354873019.db2.gz UBZSLDCSGAYZGW-RYUDHWBXSA-N 2 2 275.418 0.000 20 0 CBADLP CNS(=O)(=O)[C@H]1CCC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000570928166 354873022 /nfs/dbraw/zinc/87/30/22/354873022.db2.gz UBZSLDCSGAYZGW-RYUDHWBXSA-N 2 2 275.418 0.000 20 0 CBADLP CNS(=O)(=O)[C@H]1CCC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000570928165 354873064 /nfs/dbraw/zinc/87/30/64/354873064.db2.gz UBZSLDCSGAYZGW-NWDGAFQWSA-N 2 2 275.418 0.000 20 0 CBADLP CNS(=O)(=O)[C@H]1CCC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000570928165 354873066 /nfs/dbraw/zinc/87/30/66/354873066.db2.gz UBZSLDCSGAYZGW-NWDGAFQWSA-N 2 2 275.418 0.000 20 0 CBADLP C[C@@H](C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)[NH+]1CC(C)C1 ZINC000570938998 354873953 /nfs/dbraw/zinc/87/39/53/354873953.db2.gz BJILYGDGIOIPCH-UONOGXRCSA-N 2 2 299.415 -0.522 20 0 CBADLP C[C@@H](CS(C)(=O)=O)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000571682659 354877986 /nfs/dbraw/zinc/87/79/86/354877986.db2.gz SVRKAGVDUPNGLD-NSHDSACASA-N 2 2 263.407 -0.744 20 0 CBADLP C[C@@H](CS(C)(=O)=O)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000571682659 354877988 /nfs/dbraw/zinc/87/79/88/354877988.db2.gz SVRKAGVDUPNGLD-NSHDSACASA-N 2 2 263.407 -0.744 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCc3cncnc3C2)CC1 ZINC000328701425 202020256 /nfs/dbraw/zinc/02/02/56/202020256.db2.gz WRIMJSIVRGEYRJ-UHFFFAOYSA-N 2 2 289.383 -0.001 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCc3cncnc3C2)CC1 ZINC000328701425 202020258 /nfs/dbraw/zinc/02/02/58/202020258.db2.gz WRIMJSIVRGEYRJ-UHFFFAOYSA-N 2 2 289.383 -0.001 20 0 CBADLP O=C(CCOC1C[NH2+]C1)NCCNc1cccc[nH+]1 ZINC000569217872 354839873 /nfs/dbraw/zinc/83/98/73/354839873.db2.gz MWCFRIJUJLBFRT-UHFFFAOYSA-N 2 2 264.329 -0.012 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@](C)(C(N)=O)C1 ZINC000569235185 354840984 /nfs/dbraw/zinc/84/09/84/354840984.db2.gz QLOSHDSTWBXJCQ-DGCLKSJQSA-N 2 2 273.377 -0.877 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@](C)(C(N)=O)C1 ZINC000569235185 354840986 /nfs/dbraw/zinc/84/09/86/354840986.db2.gz QLOSHDSTWBXJCQ-DGCLKSJQSA-N 2 2 273.377 -0.877 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000569235185 354840990 /nfs/dbraw/zinc/84/09/90/354840990.db2.gz QLOSHDSTWBXJCQ-DGCLKSJQSA-N 2 2 273.377 -0.877 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000569235185 354840991 /nfs/dbraw/zinc/84/09/91/354840991.db2.gz QLOSHDSTWBXJCQ-DGCLKSJQSA-N 2 2 273.377 -0.877 20 0 CBADLP COC(=O)[C@@](C)(O)C[NH+]1CCC(CO)([NH2+]C(C)C)CC1 ZINC000569705662 354844159 /nfs/dbraw/zinc/84/41/59/354844159.db2.gz CEWKEGDJDQJGGV-ZDUSSCGKSA-N 2 2 288.388 -0.265 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC2(CNC(=O)N2C)CC1 ZINC000569706602 354844305 /nfs/dbraw/zinc/84/43/05/354844305.db2.gz QOJLLCCXCZPMCS-LBPRGKRZSA-N 2 2 284.404 -0.211 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC2(CNC(=O)N2C)CC1 ZINC000569706602 354844307 /nfs/dbraw/zinc/84/43/07/354844307.db2.gz QOJLLCCXCZPMCS-LBPRGKRZSA-N 2 2 284.404 -0.211 20 0 CBADLP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CC[NH+](C)C[C@H]1C[NH3+] ZINC000570147392 354856090 /nfs/dbraw/zinc/85/60/90/354856090.db2.gz XFBDFNOQEFRYBC-QWHCGFSZSA-N 3 2 285.436 -0.001 20 0 CBADLP CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CC[NH+](C)C[C@H]1C[NH3+] ZINC000570147392 354856094 /nfs/dbraw/zinc/85/60/94/354856094.db2.gz XFBDFNOQEFRYBC-QWHCGFSZSA-N 3 2 285.436 -0.001 20 0 CBADLP CC(C)[NH+](C)C[C@H](C)NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000570147392 354856098 /nfs/dbraw/zinc/85/60/98/354856098.db2.gz XFBDFNOQEFRYBC-QWHCGFSZSA-N 3 2 285.436 -0.001 20 0 CBADLP CC(C)[NH+](C)C[C@H](C)NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000570147392 354856102 /nfs/dbraw/zinc/85/61/02/354856102.db2.gz XFBDFNOQEFRYBC-QWHCGFSZSA-N 3 2 285.436 -0.001 20 0 CBADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](CCOC[C@H]3CCCO3)CCN2C1=O ZINC000570294477 354858643 /nfs/dbraw/zinc/85/86/43/354858643.db2.gz VAQAXUFXMNZNQW-JHJVBQTASA-N 2 2 283.372 -0.574 20 0 CBADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](CCOC[C@H]3CCCO3)CCN2C1=O ZINC000570294477 354858646 /nfs/dbraw/zinc/85/86/46/354858646.db2.gz VAQAXUFXMNZNQW-JHJVBQTASA-N 2 2 283.372 -0.574 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)c2c[nH+]ccc2N)CCO1 ZINC000570453221 354862337 /nfs/dbraw/zinc/86/23/37/354862337.db2.gz QEBBPRFOICNVKS-SNVBAGLBSA-N 2 2 264.329 -0.055 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)c2c[nH+]ccc2N)CCO1 ZINC000570453221 354862343 /nfs/dbraw/zinc/86/23/43/354862343.db2.gz QEBBPRFOICNVKS-SNVBAGLBSA-N 2 2 264.329 -0.055 20 0 CBADLP C[N@@H+]1CCN(C(=O)Cc2ccc(N)cn2)[C@@H](C[NH3+])C1 ZINC000571760741 354879208 /nfs/dbraw/zinc/87/92/08/354879208.db2.gz OILIGBMDDSJGNS-LBPRGKRZSA-N 2 2 263.345 -0.692 20 0 CBADLP C[N@H+]1CCN(C(=O)Cc2ccc(N)cn2)[C@@H](C[NH3+])C1 ZINC000571760741 354879212 /nfs/dbraw/zinc/87/92/12/354879212.db2.gz OILIGBMDDSJGNS-LBPRGKRZSA-N 2 2 263.345 -0.692 20 0 CBADLP C[C@@H](C(=O)NC[C@](C)(O)C[NH+]1CCOCC1)[NH+]1CC(C)C1 ZINC000570581035 354865045 /nfs/dbraw/zinc/86/50/45/354865045.db2.gz BVKLHPPMGOSLOD-ZFWWWQNUSA-N 2 2 299.415 -0.474 20 0 CBADLP CCC[N@H+](CC)CCNC[C@H](O)CN1CC[NH+](C)CC1 ZINC000572235682 354889265 /nfs/dbraw/zinc/88/92/65/354889265.db2.gz FRMNGEGDKOKCJO-HNNXBMFYSA-N 2 2 286.464 -0.084 20 0 CBADLP CCC[N@@H+](CC)CCNC[C@H](O)CN1CC[NH+](C)CC1 ZINC000572235682 354889271 /nfs/dbraw/zinc/88/92/71/354889271.db2.gz FRMNGEGDKOKCJO-HNNXBMFYSA-N 2 2 286.464 -0.084 20 0 CBADLP C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CC(=O)NC(C)C)C1 ZINC000572241328 354889673 /nfs/dbraw/zinc/88/96/73/354889673.db2.gz USGVACIGDLTUAM-NSHDSACASA-N 2 2 270.377 -0.737 20 0 CBADLP C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CC(=O)NC(C)C)C1 ZINC000572241328 354889678 /nfs/dbraw/zinc/88/96/78/354889678.db2.gz USGVACIGDLTUAM-NSHDSACASA-N 2 2 270.377 -0.737 20 0 CBADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000572347028 354891386 /nfs/dbraw/zinc/89/13/86/354891386.db2.gz PJZQAOBAAWISGX-UTUOFQBUSA-N 3 2 254.378 -0.524 20 0 CBADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000572347028 354891389 /nfs/dbraw/zinc/89/13/89/354891389.db2.gz PJZQAOBAAWISGX-UTUOFQBUSA-N 3 2 254.378 -0.524 20 0 CBADLP C[C@H](C(=O)N1CC[N@H+](CCO)C[C@H]1C)[NH+]1CC(C)C1 ZINC000572780548 354897768 /nfs/dbraw/zinc/89/77/68/354897768.db2.gz NWWYMWFGGBRGJR-CHWSQXEVSA-N 2 2 269.389 -0.148 20 0 CBADLP C[C@H](C(=O)N1CC[N@@H+](CCO)C[C@H]1C)[NH+]1CC(C)C1 ZINC000572780548 354897770 /nfs/dbraw/zinc/89/77/70/354897770.db2.gz NWWYMWFGGBRGJR-CHWSQXEVSA-N 2 2 269.389 -0.148 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NCC1(C)CC[NH2+]CC1 ZINC000573089605 354903882 /nfs/dbraw/zinc/90/38/82/354903882.db2.gz MJXSZRQDKLQPPM-UHFFFAOYSA-N 2 2 298.431 -0.051 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NCC1(C)CC[NH2+]CC1 ZINC000573089605 354903885 /nfs/dbraw/zinc/90/38/85/354903885.db2.gz MJXSZRQDKLQPPM-UHFFFAOYSA-N 2 2 298.431 -0.051 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](OCCO)C1 ZINC000573455821 354913280 /nfs/dbraw/zinc/91/32/80/354913280.db2.gz RBHVZJJCGYWMMB-KGLIPLIRSA-N 2 2 290.404 -0.601 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](OCCO)C1 ZINC000573455821 354913285 /nfs/dbraw/zinc/91/32/85/354913285.db2.gz RBHVZJJCGYWMMB-KGLIPLIRSA-N 2 2 290.404 -0.601 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](OCCO)C1 ZINC000573455821 354913287 /nfs/dbraw/zinc/91/32/87/354913287.db2.gz RBHVZJJCGYWMMB-KGLIPLIRSA-N 2 2 290.404 -0.601 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](OCCO)C1 ZINC000573455821 354913291 /nfs/dbraw/zinc/91/32/91/354913291.db2.gz RBHVZJJCGYWMMB-KGLIPLIRSA-N 2 2 290.404 -0.601 20 0 CBADLP CC[C@@H]1CN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)C[C@@H]1[NH+]1CCOCC1 ZINC000573488785 354914301 /nfs/dbraw/zinc/91/43/01/354914301.db2.gz FMHUQBIFECKOII-SYQHCUMBSA-N 2 2 297.399 -0.722 20 0 CBADLP CCCCNC(=O)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000571821162 354881301 /nfs/dbraw/zinc/88/13/01/354881301.db2.gz KDMDQUBJXBHLSD-QWRGUYRKSA-N 2 2 268.361 -0.854 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@]12CCNC2=O ZINC000571818665 354881441 /nfs/dbraw/zinc/88/14/41/354881441.db2.gz SQCCVLWKDXIBRT-YPMHNXCESA-N 2 2 255.362 -0.347 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@]12CCNC2=O ZINC000571818665 354881444 /nfs/dbraw/zinc/88/14/44/354881444.db2.gz SQCCVLWKDXIBRT-YPMHNXCESA-N 2 2 255.362 -0.347 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@]12CCNC2=O ZINC000571818665 354881446 /nfs/dbraw/zinc/88/14/46/354881446.db2.gz SQCCVLWKDXIBRT-YPMHNXCESA-N 2 2 255.362 -0.347 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@]12CCNC2=O ZINC000571818665 354881450 /nfs/dbraw/zinc/88/14/50/354881450.db2.gz SQCCVLWKDXIBRT-YPMHNXCESA-N 2 2 255.362 -0.347 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@]12CCNC2=O ZINC000571818662 354881489 /nfs/dbraw/zinc/88/14/89/354881489.db2.gz SQCCVLWKDXIBRT-AAEUAGOBSA-N 2 2 255.362 -0.347 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@]12CCNC2=O ZINC000571818662 354881492 /nfs/dbraw/zinc/88/14/92/354881492.db2.gz SQCCVLWKDXIBRT-AAEUAGOBSA-N 2 2 255.362 -0.347 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@]12CCNC2=O ZINC000571818662 354881494 /nfs/dbraw/zinc/88/14/94/354881494.db2.gz SQCCVLWKDXIBRT-AAEUAGOBSA-N 2 2 255.362 -0.347 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@]12CCNC2=O ZINC000571818662 354881499 /nfs/dbraw/zinc/88/14/99/354881499.db2.gz SQCCVLWKDXIBRT-AAEUAGOBSA-N 2 2 255.362 -0.347 20 0 CBADLP C[C@H]([NH3+])C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000571801971 354881587 /nfs/dbraw/zinc/88/15/87/354881587.db2.gz BEAVUMFLDQGBOD-RWMBFGLXSA-N 3 2 268.405 -0.086 20 0 CBADLP C[C@H]([NH3+])C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000571801971 354881589 /nfs/dbraw/zinc/88/15/89/354881589.db2.gz BEAVUMFLDQGBOD-RWMBFGLXSA-N 3 2 268.405 -0.086 20 0 CBADLP Cn1cc(C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])ccc1=O ZINC000571880221 354882299 /nfs/dbraw/zinc/88/22/99/354882299.db2.gz ZREVDSNSSXNFSE-LLVKDONJSA-N 2 2 264.329 -0.900 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](c2nnc[nH]2)C1 ZINC000573740144 354920961 /nfs/dbraw/zinc/92/09/61/354920961.db2.gz FLLVRMIYZXRVIK-RYUDHWBXSA-N 2 2 283.376 -0.467 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](c2nnc[nH]2)C1 ZINC000573740144 354920963 /nfs/dbraw/zinc/92/09/63/354920963.db2.gz FLLVRMIYZXRVIK-RYUDHWBXSA-N 2 2 283.376 -0.467 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000573740144 354920964 /nfs/dbraw/zinc/92/09/64/354920964.db2.gz FLLVRMIYZXRVIK-RYUDHWBXSA-N 2 2 283.376 -0.467 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000573740144 354920966 /nfs/dbraw/zinc/92/09/66/354920966.db2.gz FLLVRMIYZXRVIK-RYUDHWBXSA-N 2 2 283.376 -0.467 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)CC(C)(C)CO ZINC000573860043 354922667 /nfs/dbraw/zinc/92/26/67/354922667.db2.gz KDJKYOSFYBEYDC-GFCCVEGCSA-N 2 2 262.394 -0.124 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)CC(C)(C)CO ZINC000573860043 354922668 /nfs/dbraw/zinc/92/26/68/354922668.db2.gz KDJKYOSFYBEYDC-GFCCVEGCSA-N 2 2 262.394 -0.124 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)CC(C)(C)CO ZINC000573860043 354922670 /nfs/dbraw/zinc/92/26/70/354922670.db2.gz KDJKYOSFYBEYDC-GFCCVEGCSA-N 2 2 262.394 -0.124 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)CC(C)(C)CO ZINC000573860043 354922672 /nfs/dbraw/zinc/92/26/72/354922672.db2.gz KDJKYOSFYBEYDC-GFCCVEGCSA-N 2 2 262.394 -0.124 20 0 CBADLP C[N@@H+]1CCN(C(=O)N[C@H]2CCSC2)[C@@H](C[NH3+])C1 ZINC000574059531 354927233 /nfs/dbraw/zinc/92/72/33/354927233.db2.gz HRDGDJGJFIEQHB-UWVGGRQHSA-N 2 2 258.391 -0.224 20 0 CBADLP CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000574099082 354928100 /nfs/dbraw/zinc/92/81/00/354928100.db2.gz GQAJJGZEVMBQKA-QJPTWQEYSA-N 2 2 296.415 -0.077 20 0 CBADLP CCC(C)(C)NC(=O)[C@H](C)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000574099082 354928103 /nfs/dbraw/zinc/92/81/03/354928103.db2.gz GQAJJGZEVMBQKA-QJPTWQEYSA-N 2 2 296.415 -0.077 20 0 CBADLP C[C@@H]([NH3+])C[C@H](C)NC(=O)NCC[NH+]1CCOCC1 ZINC000575044112 354932979 /nfs/dbraw/zinc/93/29/79/354932979.db2.gz HKXOTFDDDPPRAP-MNOVXSKESA-N 2 2 258.366 -0.256 20 0 CBADLP COCC(COC)[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000579091670 354960737 /nfs/dbraw/zinc/96/07/37/354960737.db2.gz HMDJUCFFEAEKAZ-CYBMUJFWSA-N 2 2 299.415 -0.256 20 0 CBADLP COCC(COC)[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000579091670 354960738 /nfs/dbraw/zinc/96/07/38/354960738.db2.gz HMDJUCFFEAEKAZ-CYBMUJFWSA-N 2 2 299.415 -0.256 20 0 CBADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@H]2CCC[NH2+]2)CC1 ZINC000578443729 354945608 /nfs/dbraw/zinc/94/56/08/354945608.db2.gz XQZWISCOIGZDHN-CYBMUJFWSA-N 2 2 296.415 -0.201 20 0 CBADLP CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@H]2CCC[NH2+]2)CC1 ZINC000578443729 354945610 /nfs/dbraw/zinc/94/56/10/354945610.db2.gz XQZWISCOIGZDHN-CYBMUJFWSA-N 2 2 296.415 -0.201 20 0 CBADLP C[N@@H+]1CCN(C(=O)CCCNC(=O)C2CC2)[C@H](C[NH3+])C1 ZINC000578648880 354951305 /nfs/dbraw/zinc/95/13/05/354951305.db2.gz PYLJDNIIYVBRGJ-GFCCVEGCSA-N 2 2 282.388 -0.606 20 0 CBADLP C[N@H+]1CCN(C(=O)CCCNC(=O)C2CC2)[C@H](C[NH3+])C1 ZINC000578648880 354951307 /nfs/dbraw/zinc/95/13/07/354951307.db2.gz PYLJDNIIYVBRGJ-GFCCVEGCSA-N 2 2 282.388 -0.606 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCCC[C@H]1CC(N)=O ZINC000578664253 354951638 /nfs/dbraw/zinc/95/16/38/354951638.db2.gz HIBDPKOOMYKKMD-QWHCGFSZSA-N 2 2 287.404 -0.345 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC[C@H]1CC(N)=O ZINC000578664253 354951642 /nfs/dbraw/zinc/95/16/42/354951642.db2.gz HIBDPKOOMYKKMD-QWHCGFSZSA-N 2 2 287.404 -0.345 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCCC[C@H]1CC(N)=O ZINC000578664253 354951645 /nfs/dbraw/zinc/95/16/45/354951645.db2.gz HIBDPKOOMYKKMD-QWHCGFSZSA-N 2 2 287.404 -0.345 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCCC[C@H]1CC(N)=O ZINC000578664253 354951651 /nfs/dbraw/zinc/95/16/51/354951651.db2.gz HIBDPKOOMYKKMD-QWHCGFSZSA-N 2 2 287.404 -0.345 20 0 CBADLP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)Nc1cc[nH+]cc1O ZINC000579004261 354960013 /nfs/dbraw/zinc/96/00/13/354960013.db2.gz XBEUXDWYZSCOOO-JTQLQIEISA-N 2 2 278.312 -0.594 20 0 CBADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCCN(CCOC)C(=O)C1 ZINC000579118081 354962456 /nfs/dbraw/zinc/96/24/56/354962456.db2.gz WIEHWNGVLZXZTN-CYBMUJFWSA-N 2 2 273.377 -0.863 20 0 CBADLP C[NH2+]C[C@@](C)(O)C[N@H+]1CCCN(CCOC)C(=O)C1 ZINC000579118081 354962459 /nfs/dbraw/zinc/96/24/59/354962459.db2.gz WIEHWNGVLZXZTN-CYBMUJFWSA-N 2 2 273.377 -0.863 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+](C)[C@@H]1CCC(=O)N(C)C1 ZINC000579124926 354963297 /nfs/dbraw/zinc/96/32/97/354963297.db2.gz YKGUEWRADOUVQH-VXGBXAGGSA-N 2 2 257.378 -0.148 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@@H]1CCC(=O)N(C)C1 ZINC000579124926 354963299 /nfs/dbraw/zinc/96/32/99/354963299.db2.gz YKGUEWRADOUVQH-VXGBXAGGSA-N 2 2 257.378 -0.148 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@H+](C)[C@@H]1CCC(=O)N(C)C1 ZINC000579124926 354963301 /nfs/dbraw/zinc/96/33/01/354963301.db2.gz YKGUEWRADOUVQH-VXGBXAGGSA-N 2 2 257.378 -0.148 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@@H]1CCC(=O)N(C)C1 ZINC000579124926 354963303 /nfs/dbraw/zinc/96/33/03/354963303.db2.gz YKGUEWRADOUVQH-VXGBXAGGSA-N 2 2 257.378 -0.148 20 0 CBADLP CC[N@H+](C)C[C@@H](O)CN1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000579190227 354964322 /nfs/dbraw/zinc/96/43/22/354964322.db2.gz IJLGMRMVTIHXMY-CQSZACIVSA-N 2 2 298.431 -0.805 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)CN1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000579190227 354964324 /nfs/dbraw/zinc/96/43/24/354964324.db2.gz IJLGMRMVTIHXMY-CQSZACIVSA-N 2 2 298.431 -0.805 20 0 CBADLP COCC[NH+]1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000579302533 354966814 /nfs/dbraw/zinc/96/68/14/354966814.db2.gz WIHPDVZYINBECG-UHFFFAOYSA-N 2 2 252.318 -0.326 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CSC[NH2+]2)CCO1 ZINC000579357942 354968071 /nfs/dbraw/zinc/96/80/71/354968071.db2.gz FTGORTBVKDFMLI-ZJUUUORDSA-N 2 2 259.375 -0.514 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2CSC[NH2+]2)CCO1 ZINC000579357942 354968075 /nfs/dbraw/zinc/96/80/75/354968075.db2.gz FTGORTBVKDFMLI-ZJUUUORDSA-N 2 2 259.375 -0.514 20 0 CBADLP C[C@H]1CC[N@H+](CC(=O)N2CC[NH+](CCO)C[C@@H]2C)C1 ZINC000579373587 354969438 /nfs/dbraw/zinc/96/94/38/354969438.db2.gz ZFANLMUBYATVLF-STQMWFEESA-N 2 2 269.389 -0.147 20 0 CBADLP C[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](CCO)C[C@@H]2C)C1 ZINC000579373587 354969442 /nfs/dbraw/zinc/96/94/42/354969442.db2.gz ZFANLMUBYATVLF-STQMWFEESA-N 2 2 269.389 -0.147 20 0 CBADLP C[C@H]1CC[NH+](CC(=O)N2CC[N@H+](CCO)C[C@@H]2C)C1 ZINC000579373587 354969444 /nfs/dbraw/zinc/96/94/44/354969444.db2.gz ZFANLMUBYATVLF-STQMWFEESA-N 2 2 269.389 -0.147 20 0 CBADLP C[C@H]1CC[NH+](CC(=O)N2CC[N@@H+](CCO)C[C@@H]2C)C1 ZINC000579373587 354969447 /nfs/dbraw/zinc/96/94/47/354969447.db2.gz ZFANLMUBYATVLF-STQMWFEESA-N 2 2 269.389 -0.147 20 0 CBADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+][C@H]2[C@@H]3COC[C@@H]32)C[C@@H](C)O1 ZINC000579704414 354976715 /nfs/dbraw/zinc/97/67/15/354976715.db2.gz SZZKRUVMJLQTHW-PRFQISJJSA-N 2 2 270.373 -0.309 20 0 CBADLP C[C@H]1CC[N@H+](CC(=O)NCC[NH+]2CCOCC2)C1 ZINC000579866225 354981835 /nfs/dbraw/zinc/98/18/35/354981835.db2.gz ZBXNFCSPDXMUNH-LBPRGKRZSA-N 2 2 255.362 -0.223 20 0 CBADLP CN1CCC[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C2CC2)C1=O ZINC000580184819 354989856 /nfs/dbraw/zinc/98/98/56/354989856.db2.gz WDXVMVCYGSRWTC-NWDGAFQWSA-N 2 2 255.362 -0.348 20 0 CBADLP CN1CCC[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)C1=O ZINC000580184819 354989859 /nfs/dbraw/zinc/98/98/59/354989859.db2.gz WDXVMVCYGSRWTC-NWDGAFQWSA-N 2 2 255.362 -0.348 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)CC1 ZINC000580322443 354993647 /nfs/dbraw/zinc/99/36/47/354993647.db2.gz OQAXUSBLMMSDAG-OLZOCXBDSA-N 2 2 267.373 -0.129 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)CC1 ZINC000580322443 354993651 /nfs/dbraw/zinc/99/36/51/354993651.db2.gz OQAXUSBLMMSDAG-OLZOCXBDSA-N 2 2 267.373 -0.129 20 0 CBADLP Cc1cc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)on1 ZINC000580347282 354994420 /nfs/dbraw/zinc/99/44/20/354994420.db2.gz QVECRJYSHFKHMT-GXSJLCMTSA-N 2 2 250.302 -0.273 20 0 CBADLP Cc1cc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)on1 ZINC000580347282 354994423 /nfs/dbraw/zinc/99/44/23/354994423.db2.gz QVECRJYSHFKHMT-GXSJLCMTSA-N 2 2 250.302 -0.273 20 0 CBADLP C[C@H]1CNCC[N@@H+]1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000584350863 355029936 /nfs/dbraw/zinc/02/99/36/355029936.db2.gz GEHYDSYKLKVFDC-NWDGAFQWSA-N 2 2 254.378 -0.523 20 0 CBADLP C[C@H]1CNCC[N@H+]1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000584350863 355029940 /nfs/dbraw/zinc/02/99/40/355029940.db2.gz GEHYDSYKLKVFDC-NWDGAFQWSA-N 2 2 254.378 -0.523 20 0 CBADLP C[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000584524807 355031173 /nfs/dbraw/zinc/03/11/73/355031173.db2.gz JQQVETSWLWEDFS-KBPBESRZSA-N 3 2 270.421 -0.722 20 0 CBADLP C[N@H+]1CCC[C@H]1C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000584524807 355031174 /nfs/dbraw/zinc/03/11/74/355031174.db2.gz JQQVETSWLWEDFS-KBPBESRZSA-N 3 2 270.421 -0.722 20 0 CBADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+][C@H]2CC(=O)N(C)C2)C[C@H](C)O1 ZINC000584834367 355039188 /nfs/dbraw/zinc/03/91/88/355039188.db2.gz KTTVIWCTTFAUGU-QNWHQSFQSA-N 2 2 285.388 -0.723 20 0 CBADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+][C@H]2CC(=O)N(C)C2)C[C@H](C)O1 ZINC000584834367 355039191 /nfs/dbraw/zinc/03/91/91/355039191.db2.gz KTTVIWCTTFAUGU-QNWHQSFQSA-N 2 2 285.388 -0.723 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@]2(CNC(=O)C2)C1 ZINC000581020661 355004746 /nfs/dbraw/zinc/00/47/46/355004746.db2.gz ZNHLILOWPCTUJD-JSGCOSHPSA-N 2 2 285.388 -0.863 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@]2(CNC(=O)C2)C1 ZINC000581020661 355004747 /nfs/dbraw/zinc/00/47/47/355004747.db2.gz ZNHLILOWPCTUJD-JSGCOSHPSA-N 2 2 285.388 -0.863 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000581020661 355004749 /nfs/dbraw/zinc/00/47/49/355004749.db2.gz ZNHLILOWPCTUJD-JSGCOSHPSA-N 2 2 285.388 -0.863 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000581020661 355004751 /nfs/dbraw/zinc/00/47/51/355004751.db2.gz ZNHLILOWPCTUJD-JSGCOSHPSA-N 2 2 285.388 -0.863 20 0 CBADLP COC(=O)CCNC(=O)C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000582189466 355010515 /nfs/dbraw/zinc/01/05/15/355010515.db2.gz QQSIQPHQFRHSBI-NXEZZACHSA-N 2 2 257.334 -0.523 20 0 CBADLP COC(=O)CCNC(=O)C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000582189466 355010518 /nfs/dbraw/zinc/01/05/18/355010518.db2.gz QQSIQPHQFRHSBI-NXEZZACHSA-N 2 2 257.334 -0.523 20 0 CBADLP CN(C)c1ncc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cn1 ZINC000582229445 355010920 /nfs/dbraw/zinc/01/09/20/355010920.db2.gz SIXARKGBXYIKKU-NSHDSACASA-N 2 2 293.375 -0.351 20 0 CBADLP CN(C)c1ncc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cn1 ZINC000582229445 355010923 /nfs/dbraw/zinc/01/09/23/355010923.db2.gz SIXARKGBXYIKKU-NSHDSACASA-N 2 2 293.375 -0.351 20 0 CBADLP COC[C@@H](NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])C1CC1 ZINC000582350049 355013448 /nfs/dbraw/zinc/01/34/48/355013448.db2.gz JIROKJIRXKEBNL-VXGBXAGGSA-N 2 2 270.377 -0.304 20 0 CBADLP COC[C@@H](NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])C1CC1 ZINC000582350049 355013452 /nfs/dbraw/zinc/01/34/52/355013452.db2.gz JIROKJIRXKEBNL-VXGBXAGGSA-N 2 2 270.377 -0.304 20 0 CBADLP CCCN(CCC)C(=O)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000582370909 355014644 /nfs/dbraw/zinc/01/46/44/355014644.db2.gz DCAXPGOSYOLKMA-STQMWFEESA-N 2 2 296.415 -0.121 20 0 CBADLP CCCN(CCC)C(=O)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000582370909 355014646 /nfs/dbraw/zinc/01/46/46/355014646.db2.gz DCAXPGOSYOLKMA-STQMWFEESA-N 2 2 296.415 -0.121 20 0 CBADLP [NH3+][C@H]1C[C@@H]2CN(c3cc(NC4CC4)[nH+]cn3)CCN2C1=O ZINC000582371342 355014790 /nfs/dbraw/zinc/01/47/90/355014790.db2.gz WCKZIKYEWBPUEK-MNOVXSKESA-N 2 2 288.355 -0.201 20 0 CBADLP [NH3+][C@H]1C[C@@H]2CN(c3cc(NC4CC4)nc[nH+]3)CCN2C1=O ZINC000582371342 355014794 /nfs/dbraw/zinc/01/47/94/355014794.db2.gz WCKZIKYEWBPUEK-MNOVXSKESA-N 2 2 288.355 -0.201 20 0 CBADLP [NH3+][C@@H]1C[C@@H]2CN(c3cc(NC4CC4)[nH+]cn3)CCN2C1=O ZINC000582371341 355014997 /nfs/dbraw/zinc/01/49/97/355014997.db2.gz WCKZIKYEWBPUEK-GHMZBOCLSA-N 2 2 288.355 -0.201 20 0 CBADLP [NH3+][C@@H]1C[C@@H]2CN(c3cc(NC4CC4)nc[nH+]3)CCN2C1=O ZINC000582371341 355014998 /nfs/dbraw/zinc/01/49/98/355014998.db2.gz WCKZIKYEWBPUEK-GHMZBOCLSA-N 2 2 288.355 -0.201 20 0 CBADLP C[C@@H]1C[N@H+](CCCc2c[nH+]cn2C)C[C@@H](C(N)=O)O1 ZINC000583507843 355019188 /nfs/dbraw/zinc/01/91/88/355019188.db2.gz PJZPOYMTXWXWTE-PWSUYJOCSA-N 2 2 266.345 -0.073 20 0 CBADLP C[C@@H]1C[N@@H+](CCCc2c[nH+]cn2C)C[C@@H](C(N)=O)O1 ZINC000583507843 355019194 /nfs/dbraw/zinc/01/91/94/355019194.db2.gz PJZPOYMTXWXWTE-PWSUYJOCSA-N 2 2 266.345 -0.073 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000583572571 355020395 /nfs/dbraw/zinc/02/03/95/355020395.db2.gz PEKCRQYJUMBKAN-QWHCGFSZSA-N 2 2 284.404 -0.165 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000583572571 355020400 /nfs/dbraw/zinc/02/04/00/355020400.db2.gz PEKCRQYJUMBKAN-QWHCGFSZSA-N 2 2 284.404 -0.165 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000583572571 355020405 /nfs/dbraw/zinc/02/04/05/355020405.db2.gz PEKCRQYJUMBKAN-QWHCGFSZSA-N 2 2 284.404 -0.165 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000583572571 355020407 /nfs/dbraw/zinc/02/04/07/355020407.db2.gz PEKCRQYJUMBKAN-QWHCGFSZSA-N 2 2 284.404 -0.165 20 0 CBADLP COCC[NH+]1CCC([NH2+][C@@H]2CCC(=O)N(C)C2=O)CC1 ZINC000583687827 355021825 /nfs/dbraw/zinc/02/18/25/355021825.db2.gz BCLLEDGPUXTDJI-GFCCVEGCSA-N 2 2 283.372 -0.166 20 0 CBADLP COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@H](C)C2C[NH2+]C2)C1 ZINC000583870644 355023496 /nfs/dbraw/zinc/02/34/96/355023496.db2.gz HPXLQULHTNYFOW-VXGBXAGGSA-N 2 2 297.399 -0.157 20 0 CBADLP COC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@H](C)C2C[NH2+]C2)C1 ZINC000583870644 355023498 /nfs/dbraw/zinc/02/34/98/355023498.db2.gz HPXLQULHTNYFOW-VXGBXAGGSA-N 2 2 297.399 -0.157 20 0 CBADLP C[C@@H](NC(=O)COC1CC[NH2+]CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000583992519 355026247 /nfs/dbraw/zinc/02/62/47/355026247.db2.gz PQEKDZGUDAIVPL-CHWSQXEVSA-N 2 2 299.415 -0.020 20 0 CBADLP C[C@@H](NC(=O)COC1CC[NH2+]CC1)[C@H](C)[NH+]1CCOCC1 ZINC000583992520 355026290 /nfs/dbraw/zinc/02/62/90/355026290.db2.gz PQEKDZGUDAIVPL-OLZOCXBDSA-N 2 2 299.415 -0.020 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+](CCO)[C@@H]1CCO[C@H]1C ZINC000584002098 355027138 /nfs/dbraw/zinc/02/71/38/355027138.db2.gz LZOPQEWRQKIYON-RWMBFGLXSA-N 2 2 260.378 -0.229 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+](CCO)[C@@H]1CCO[C@H]1C ZINC000584002098 355027141 /nfs/dbraw/zinc/02/71/41/355027141.db2.gz LZOPQEWRQKIYON-RWMBFGLXSA-N 2 2 260.378 -0.229 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@H+](CCO)[C@@H]1CCO[C@H]1C ZINC000584002098 355027144 /nfs/dbraw/zinc/02/71/44/355027144.db2.gz LZOPQEWRQKIYON-RWMBFGLXSA-N 2 2 260.378 -0.229 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@@H+](CCO)[C@@H]1CCO[C@H]1C ZINC000584002098 355027147 /nfs/dbraw/zinc/02/71/47/355027147.db2.gz LZOPQEWRQKIYON-RWMBFGLXSA-N 2 2 260.378 -0.229 20 0 CBADLP Cc1[nH+]cc(C[NH2+][C@H]2CCC(=O)N(C)C2=O)n1C ZINC000584064419 355028402 /nfs/dbraw/zinc/02/84/02/355028402.db2.gz ASRZUSXVGBQSMS-JTQLQIEISA-N 2 2 250.302 -0.034 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000591096401 355091779 /nfs/dbraw/zinc/09/17/79/355091779.db2.gz JPKORHBJUDCLCB-RYUDHWBXSA-N 2 2 255.362 -0.225 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000591096401 355091782 /nfs/dbraw/zinc/09/17/82/355091782.db2.gz JPKORHBJUDCLCB-RYUDHWBXSA-N 2 2 255.362 -0.225 20 0 CBADLP CCNC(=O)NC(=O)C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000592181036 355136628 /nfs/dbraw/zinc/13/66/28/355136628.db2.gz AOCQBUGITLQUBU-UHFFFAOYSA-N 2 2 298.387 -0.371 20 0 CBADLP CCNC(=O)NC(=O)C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000592181036 355136630 /nfs/dbraw/zinc/13/66/30/355136630.db2.gz AOCQBUGITLQUBU-UHFFFAOYSA-N 2 2 298.387 -0.371 20 0 CBADLP COC(=O)[C@@H]1C[C@H](O)C[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000592205440 355141179 /nfs/dbraw/zinc/14/11/79/355141179.db2.gz KLKMOXJFCFRZMH-KGYLQXTDSA-N 2 2 286.372 -0.703 20 0 CBADLP COC(=O)[C@@H]1C[C@H](O)C[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000592205440 355141181 /nfs/dbraw/zinc/14/11/81/355141181.db2.gz KLKMOXJFCFRZMH-KGYLQXTDSA-N 2 2 286.372 -0.703 20 0 CBADLP COC(=O)[C@@H]1C[C@H](O)C[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000592205440 355141183 /nfs/dbraw/zinc/14/11/83/355141183.db2.gz KLKMOXJFCFRZMH-KGYLQXTDSA-N 2 2 286.372 -0.703 20 0 CBADLP COC(=O)[C@@H]1C[C@H](O)C[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000592205440 355141185 /nfs/dbraw/zinc/14/11/85/355141185.db2.gz KLKMOXJFCFRZMH-KGYLQXTDSA-N 2 2 286.372 -0.703 20 0 CBADLP COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H](C)C[NH3+])C1 ZINC000592278411 355146489 /nfs/dbraw/zinc/14/64/89/355146489.db2.gz RGZMXLRRISOVKT-MNOVXSKESA-N 2 2 271.361 -0.418 20 0 CBADLP COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@H](C)C[NH3+])C1 ZINC000592278411 355146493 /nfs/dbraw/zinc/14/64/93/355146493.db2.gz RGZMXLRRISOVKT-MNOVXSKESA-N 2 2 271.361 -0.418 20 0 CBADLP COC(=O)[C@@H](O)C[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000592431497 355153849 /nfs/dbraw/zinc/15/38/49/355153849.db2.gz XASPEGRLQDNSLA-KGLIPLIRSA-N 2 2 296.367 -0.397 20 0 CBADLP COC(=O)[C@@H](O)C[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000592431497 355153852 /nfs/dbraw/zinc/15/38/52/355153852.db2.gz XASPEGRLQDNSLA-KGLIPLIRSA-N 2 2 296.367 -0.397 20 0 CBADLP COC(=O)[C@H]1C[NH2+]CCCN1CC[N@@H+]1CCO[C@@H](C)C1 ZINC000592487550 355157510 /nfs/dbraw/zinc/15/75/10/355157510.db2.gz UPVTZEDVBLDORU-QWHCGFSZSA-N 2 2 285.388 -0.456 20 0 CBADLP COC(=O)[C@H]1C[NH2+]CCCN1CC[N@H+]1CCO[C@@H](C)C1 ZINC000592487550 355157514 /nfs/dbraw/zinc/15/75/14/355157514.db2.gz UPVTZEDVBLDORU-QWHCGFSZSA-N 2 2 285.388 -0.456 20 0 CBADLP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)CCn1cc[nH+]c1 ZINC000592962002 355187322 /nfs/dbraw/zinc/18/73/22/355187322.db2.gz CJUJVSUAZZHPCN-LLVKDONJSA-N 2 2 280.328 -0.363 20 0 CBADLP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)CCn1cc[nH+]c1 ZINC000592962003 355188086 /nfs/dbraw/zinc/18/80/86/355188086.db2.gz CJUJVSUAZZHPCN-NSHDSACASA-N 2 2 280.328 -0.363 20 0 CBADLP COC(=O)CC[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593050810 355190761 /nfs/dbraw/zinc/19/07/61/355190761.db2.gz FSRPNUXDWXJUEE-UHFFFAOYSA-N 2 2 257.334 -0.745 20 0 CBADLP COC(=O)CC[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593050810 355190765 /nfs/dbraw/zinc/19/07/65/355190765.db2.gz FSRPNUXDWXJUEE-UHFFFAOYSA-N 2 2 257.334 -0.745 20 0 CBADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)CC1 ZINC000593096901 355194180 /nfs/dbraw/zinc/19/41/80/355194180.db2.gz XZVNKQILPSHABZ-QAJFTPDKSA-N 2 2 299.440 -0.208 20 0 CBADLP CC[NH+]1CCC(NC(=O)C[N@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)CC1 ZINC000593096901 355194182 /nfs/dbraw/zinc/19/41/82/355194182.db2.gz XZVNKQILPSHABZ-QAJFTPDKSA-N 2 2 299.440 -0.208 20 0 CBADLP CCOC(=O)[C@H](C)[C@H](C)NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000593907444 355227137 /nfs/dbraw/zinc/22/71/37/355227137.db2.gz OVCISVFNROUDJE-OUAUKWLOSA-N 2 2 273.377 -0.031 20 0 CBADLP [NH3+][C@@H]1C[C@@H]2CN(c3cc(-n4cc[nH+]c4)ncn3)CCN2C1=O ZINC000594694174 355257351 /nfs/dbraw/zinc/25/73/51/355257351.db2.gz BFGMYYMBGIGDBE-GHMZBOCLSA-N 2 2 299.338 -0.590 20 0 CBADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595506880 355289171 /nfs/dbraw/zinc/28/91/71/355289171.db2.gz IFWVODBGCRVXFA-GWCFXTLKSA-N 2 2 268.361 -0.013 20 0 CBADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595506880 355289174 /nfs/dbraw/zinc/28/91/74/355289174.db2.gz IFWVODBGCRVXFA-GWCFXTLKSA-N 2 2 268.361 -0.013 20 0 CBADLP C[C@@H](C(=O)NC(N)=O)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000595506880 355289178 /nfs/dbraw/zinc/28/91/78/355289178.db2.gz IFWVODBGCRVXFA-GWCFXTLKSA-N 2 2 268.361 -0.013 20 0 CBADLP C[C@@H](C(=O)NC(N)=O)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000595506880 355289179 /nfs/dbraw/zinc/28/91/79/355289179.db2.gz IFWVODBGCRVXFA-GWCFXTLKSA-N 2 2 268.361 -0.013 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H]1CCO[C@@H]1C(=O)OC ZINC000595660068 355298563 /nfs/dbraw/zinc/29/85/63/355298563.db2.gz RQRZLNKUNOKLNJ-AXFHLTTASA-N 2 2 260.334 -0.781 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H]1CCO[C@@H]1C(=O)OC ZINC000595660068 355298565 /nfs/dbraw/zinc/29/85/65/355298565.db2.gz RQRZLNKUNOKLNJ-AXFHLTTASA-N 2 2 260.334 -0.781 20 0 CBADLP COC(=O)CCN1CC[C@H]([NH2+]CC2([NH3+])CCC2)C1=O ZINC000595888409 355314721 /nfs/dbraw/zinc/31/47/21/355314721.db2.gz LPSQQPXEZLFPCB-JTQLQIEISA-N 2 2 269.345 -0.379 20 0 CBADLP COC(=O)CCN1CC[C@H]([N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)C1=O ZINC000595895557 355315277 /nfs/dbraw/zinc/31/52/77/355315277.db2.gz PFLMICRWYYGYMF-XQQFMLRXSA-N 2 2 295.383 -0.166 20 0 CBADLP COC(=O)CCN1CC[C@H]([N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)C1=O ZINC000595895557 355315281 /nfs/dbraw/zinc/31/52/81/355315281.db2.gz PFLMICRWYYGYMF-XQQFMLRXSA-N 2 2 295.383 -0.166 20 0 CBADLP COC(=O)c1occc1CNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000595942178 355323442 /nfs/dbraw/zinc/32/34/42/355323442.db2.gz BGUKNMZOOFALPZ-SNVBAGLBSA-N 2 2 283.328 -0.039 20 0 CBADLP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000599008736 355459336 /nfs/dbraw/zinc/45/93/36/355459336.db2.gz HIKWNYFNLWEHAM-IRCOFANPSA-N 2 2 256.346 -0.160 20 0 CBADLP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000599008736 355459338 /nfs/dbraw/zinc/45/93/38/355459338.db2.gz HIKWNYFNLWEHAM-IRCOFANPSA-N 2 2 256.346 -0.160 20 0 CBADLP COc1ccncc1C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000600709591 355562280 /nfs/dbraw/zinc/56/22/80/355562280.db2.gz LGRJZHHZJHZMBS-NWDGAFQWSA-N 2 2 276.340 -0.166 20 0 CBADLP COc1ccncc1C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000600709591 355562282 /nfs/dbraw/zinc/56/22/82/355562282.db2.gz LGRJZHHZJHZMBS-NWDGAFQWSA-N 2 2 276.340 -0.166 20 0 CBADLP CN1CC[N@H+](C)[C@H](CNC(=O)NCC2CC[NH+](C)CC2)C1 ZINC000601317592 355584714 /nfs/dbraw/zinc/58/47/14/355584714.db2.gz ZTRGGDJYLCJFOZ-CQSZACIVSA-N 2 2 297.447 -0.127 20 0 CBADLP CN1CC[N@@H+](C)[C@H](CNC(=O)NCC2CC[NH+](C)CC2)C1 ZINC000601317592 355584716 /nfs/dbraw/zinc/58/47/16/355584716.db2.gz ZTRGGDJYLCJFOZ-CQSZACIVSA-N 2 2 297.447 -0.127 20 0 CBADLP COC(=O)CCNC(=O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000601334939 355588646 /nfs/dbraw/zinc/58/86/46/355588646.db2.gz OUIDGNOYPJIOAC-VXGBXAGGSA-N 2 2 283.372 -0.260 20 0 CBADLP COC(=O)CCNC(=O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000601334939 355588652 /nfs/dbraw/zinc/58/86/52/355588652.db2.gz OUIDGNOYPJIOAC-VXGBXAGGSA-N 2 2 283.372 -0.260 20 0 CBADLP CCn1nnc(C)c1C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000600707621 355562473 /nfs/dbraw/zinc/56/24/73/355562473.db2.gz CPHTWALPWFYWIP-WDEREUQCSA-N 2 2 278.360 -0.650 20 0 CBADLP CCn1nnc(C)c1C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000600707621 355562474 /nfs/dbraw/zinc/56/24/74/355562474.db2.gz CPHTWALPWFYWIP-WDEREUQCSA-N 2 2 278.360 -0.650 20 0 CBADLP CC(C)(C)CNC(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000600712073 355563093 /nfs/dbraw/zinc/56/30/93/355563093.db2.gz VXZOHCJHROSKFY-WDEREUQCSA-N 2 2 282.388 -0.608 20 0 CBADLP CC(C)(C)CNC(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000600712073 355563097 /nfs/dbraw/zinc/56/30/97/355563097.db2.gz VXZOHCJHROSKFY-WDEREUQCSA-N 2 2 282.388 -0.608 20 0 CBADLP COC(=O)CCNC(=O)CC[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000600712038 355563140 /nfs/dbraw/zinc/56/31/40/355563140.db2.gz VOIIYVQLMCKEGI-QWRGUYRKSA-N 2 2 271.361 -0.357 20 0 CBADLP CCOC(=O)C[C@@H](CO)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000600741319 355563717 /nfs/dbraw/zinc/56/37/17/355563717.db2.gz FIIYJDPXGWYQLN-RYUDHWBXSA-N 2 2 274.361 -0.653 20 0 CBADLP COC(=O)CCNC(=O)C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000600745922 355563893 /nfs/dbraw/zinc/56/38/93/355563893.db2.gz RCWZRRPMZRZRAE-OKILXGFUSA-N 2 2 283.372 -0.403 20 0 CBADLP COC(=O)CCNC(=O)C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000600745922 355563898 /nfs/dbraw/zinc/56/38/98/355563898.db2.gz RCWZRRPMZRZRAE-OKILXGFUSA-N 2 2 283.372 -0.403 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)CN2CC[NH+](C)CC2)CCO1 ZINC000600982994 355573442 /nfs/dbraw/zinc/57/34/42/355573442.db2.gz JMQMKWBUJADBHJ-CYBMUJFWSA-N 2 2 284.404 -0.929 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)CN2CC[NH+](C)CC2)CCO1 ZINC000600982994 355573446 /nfs/dbraw/zinc/57/34/46/355573446.db2.gz JMQMKWBUJADBHJ-CYBMUJFWSA-N 2 2 284.404 -0.929 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)CN1CC[NH+](C)CC1 ZINC000600999666 355575028 /nfs/dbraw/zinc/57/50/28/355575028.db2.gz CHQDCYGJDSXQHX-CYBMUJFWSA-N 2 2 284.404 -0.929 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)CN1CC[NH+](C)CC1 ZINC000600999666 355575034 /nfs/dbraw/zinc/57/50/34/355575034.db2.gz CHQDCYGJDSXQHX-CYBMUJFWSA-N 2 2 284.404 -0.929 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H]3COCCO3)C2)CC1 ZINC000602201874 355640491 /nfs/dbraw/zinc/64/04/91/355640491.db2.gz OIQORUOMDUSPSU-OCCSQVGLSA-N 2 2 297.399 -0.314 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H]3COCCO3)C2)CC1 ZINC000602201874 355640494 /nfs/dbraw/zinc/64/04/94/355640494.db2.gz OIQORUOMDUSPSU-OCCSQVGLSA-N 2 2 297.399 -0.314 20 0 CBADLP CCc1c[nH]c(CC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)[nH+]1 ZINC000602522705 355656719 /nfs/dbraw/zinc/65/67/19/355656719.db2.gz GBAWLSBTTUYQKV-WDEREUQCSA-N 2 2 291.355 -0.715 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1CCc1c[nH+]cn1C ZINC000602775660 355671642 /nfs/dbraw/zinc/67/16/42/355671642.db2.gz LQMLMVINQQRGAA-MNOVXSKESA-N 2 2 253.302 -0.429 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1CCc1c[nH+]cn1C ZINC000602775660 355671645 /nfs/dbraw/zinc/67/16/45/355671645.db2.gz LQMLMVINQQRGAA-MNOVXSKESA-N 2 2 253.302 -0.429 20 0 CBADLP COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000602023480 355625551 /nfs/dbraw/zinc/62/55/51/355625551.db2.gz WOWZYDZUWKCCLB-NAKRPEOUSA-N 2 2 271.361 -0.217 20 0 CBADLP COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000602022937 355625842 /nfs/dbraw/zinc/62/58/42/355625842.db2.gz UCWNJLXNNRCDEH-VPOLOUISSA-N 2 2 271.361 -0.360 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cn[nH]n3)C2)CC1 ZINC000602196479 355639591 /nfs/dbraw/zinc/63/95/91/355639591.db2.gz UPGLGXDAZBACLM-JTQLQIEISA-N 2 2 278.360 -0.297 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cn[nH]n3)C2)CC1 ZINC000602196479 355639595 /nfs/dbraw/zinc/63/95/95/355639595.db2.gz UPGLGXDAZBACLM-JTQLQIEISA-N 2 2 278.360 -0.297 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cnn[nH]3)C2)CC1 ZINC000602196479 355639600 /nfs/dbraw/zinc/63/96/00/355639600.db2.gz UPGLGXDAZBACLM-JTQLQIEISA-N 2 2 278.360 -0.297 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cnn[nH]3)C2)CC1 ZINC000602196479 355639604 /nfs/dbraw/zinc/63/96/04/355639604.db2.gz UPGLGXDAZBACLM-JTQLQIEISA-N 2 2 278.360 -0.297 20 0 CBADLP CSC[C@H](O)C[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000602989525 355690129 /nfs/dbraw/zinc/69/01/29/355690129.db2.gz RQUQDUIDXBDLJF-LLVKDONJSA-N 2 2 275.418 -0.584 20 0 CBADLP CSC[C@H](O)C[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000602989525 355690132 /nfs/dbraw/zinc/69/01/32/355690132.db2.gz RQUQDUIDXBDLJF-LLVKDONJSA-N 2 2 275.418 -0.584 20 0 CBADLP Cn1c[nH+]cc1CC[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000603429685 355714968 /nfs/dbraw/zinc/71/49/68/355714968.db2.gz OVOURYUTMSWZRP-VXGBXAGGSA-N 3 2 263.345 -0.794 20 0 CBADLP Cn1c[nH+]cc1CC[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000603429685 355714971 /nfs/dbraw/zinc/71/49/71/355714971.db2.gz OVOURYUTMSWZRP-VXGBXAGGSA-N 3 2 263.345 -0.794 20 0 CBADLP Cn1c[nH+]cc1CCN1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000603429685 355714974 /nfs/dbraw/zinc/71/49/74/355714974.db2.gz OVOURYUTMSWZRP-VXGBXAGGSA-N 2 2 263.345 -0.794 20 0 CBADLP Cn1cncc1CC[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000603429685 355714975 /nfs/dbraw/zinc/71/49/75/355714975.db2.gz OVOURYUTMSWZRP-VXGBXAGGSA-N 2 2 263.345 -0.794 20 0 CBADLP Cn1cncc1CC[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000603429685 355714978 /nfs/dbraw/zinc/71/49/78/355714978.db2.gz OVOURYUTMSWZRP-VXGBXAGGSA-N 2 2 263.345 -0.794 20 0 CBADLP CCOC(=O)C[C@H](O)C[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000602876998 355679305 /nfs/dbraw/zinc/67/93/05/355679305.db2.gz JJRHZUGATVZWKV-JSGCOSHPSA-N 2 2 288.388 -0.311 20 0 CBADLP CCOC(=O)C[C@H](O)C[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000602876998 355679308 /nfs/dbraw/zinc/67/93/08/355679308.db2.gz JJRHZUGATVZWKV-JSGCOSHPSA-N 2 2 288.388 -0.311 20 0 CBADLP CCOC(=O)CN(C)C(=O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000609536194 355769944 /nfs/dbraw/zinc/76/99/44/355769944.db2.gz FIWGTOVOFSIWDZ-GHMZBOCLSA-N 2 2 269.345 -0.841 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCCO)C2)CC1 ZINC000604207758 355723574 /nfs/dbraw/zinc/72/35/74/355723574.db2.gz COCNCVXAGIBDKF-LLVKDONJSA-N 2 2 270.377 -0.554 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCCO)C2)CC1 ZINC000604207758 355723576 /nfs/dbraw/zinc/72/35/76/355723576.db2.gz COCNCVXAGIBDKF-LLVKDONJSA-N 2 2 270.377 -0.554 20 0 CBADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H]2CC(=O)N2)CC1 ZINC000611975260 355817997 /nfs/dbraw/zinc/81/79/97/355817997.db2.gz ZUYWMZOXJVYLKA-NSHDSACASA-N 2 2 268.361 -0.983 20 0 CBADLP C[C@H](NC(=O)C1([NH+](C)C)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000612671346 355845898 /nfs/dbraw/zinc/84/58/98/355845898.db2.gz SCPHDIMKMAIKTF-QWRGUYRKSA-N 2 2 255.362 -0.084 20 0 CBADLP C[C@H](NC(=O)C1([NH+](C)C)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000612671346 355845901 /nfs/dbraw/zinc/84/59/01/355845901.db2.gz SCPHDIMKMAIKTF-QWRGUYRKSA-N 2 2 255.362 -0.084 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000612867560 355853403 /nfs/dbraw/zinc/85/34/03/355853403.db2.gz BQPSINCPODIWCZ-WCQYABFASA-N 2 2 270.377 -0.242 20 0 CBADLP C[NH+](C)C[C@@H](CO)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000614845270 355988209 /nfs/dbraw/zinc/98/82/09/355988209.db2.gz BCJKZBCDVYKUTP-MNOVXSKESA-N 2 2 266.345 -0.516 20 0 CBADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CO)C[NH+](C)C ZINC000614859440 355995559 /nfs/dbraw/zinc/99/55/59/355995559.db2.gz ZIIFRVWGCSYXRS-GXSJLCMTSA-N 2 2 254.334 -0.373 20 0 CBADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CO)C[NH+](C)C ZINC000614859440 355995561 /nfs/dbraw/zinc/99/55/61/355995561.db2.gz ZIIFRVWGCSYXRS-GXSJLCMTSA-N 2 2 254.334 -0.373 20 0 CBADLP C[NH+]1CCC(CC(=O)N[C@H](CO)C[NH+]2CCOCC2)CC1 ZINC000614409613 355955267 /nfs/dbraw/zinc/95/52/67/355955267.db2.gz JBGOOGLDMIUQHY-AWEZNQCLSA-N 2 2 299.415 -0.472 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000614504764 355964001 /nfs/dbraw/zinc/96/40/01/355964001.db2.gz FFUYVZUDELJOIK-LBPRGKRZSA-N 2 2 263.345 -0.611 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000614504764 355964004 /nfs/dbraw/zinc/96/40/04/355964004.db2.gz FFUYVZUDELJOIK-LBPRGKRZSA-N 2 2 263.345 -0.611 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)C1 ZINC000615544763 356038957 /nfs/dbraw/zinc/03/89/57/356038957.db2.gz CCEKHQJRQVAROY-UONOGXRCSA-N 2 2 297.399 -0.360 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)C1 ZINC000615544763 356038959 /nfs/dbraw/zinc/03/89/59/356038959.db2.gz CCEKHQJRQVAROY-UONOGXRCSA-N 2 2 297.399 -0.360 20 0 CBADLP C[NH+](C)C1(C(=O)NCC[NH+]2CCC(O)CC2)CC1 ZINC000615990647 356063759 /nfs/dbraw/zinc/06/37/59/356063759.db2.gz HTOVNKRAIIPWEY-UHFFFAOYSA-N 2 2 255.362 -0.347 20 0 CBADLP CN(Cc1c[nH+]c[nH]1)C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000616926019 356116216 /nfs/dbraw/zinc/11/62/16/356116216.db2.gz ZKYPYLDLTBHGLI-LLVKDONJSA-N 2 2 293.371 -0.222 20 0 CBADLP CN(Cc1c[nH]c[nH+]1)C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000616926019 356116222 /nfs/dbraw/zinc/11/62/22/356116222.db2.gz ZKYPYLDLTBHGLI-LLVKDONJSA-N 2 2 293.371 -0.222 20 0 CBADLP CN1C[C@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)NC1=O ZINC000617762406 356155142 /nfs/dbraw/zinc/15/51/42/356155142.db2.gz OBNQTTLNVQUTIV-LLVKDONJSA-N 2 2 285.392 -0.990 20 0 CBADLP CN1C[C@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)NC1=O ZINC000617762406 356155143 /nfs/dbraw/zinc/15/51/43/356155143.db2.gz OBNQTTLNVQUTIV-LLVKDONJSA-N 2 2 285.392 -0.990 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1CCNC1=O ZINC000617762168 356155671 /nfs/dbraw/zinc/15/56/71/356155671.db2.gz IZTFBXPWNUZCGN-NSHDSACASA-N 2 2 270.377 -0.878 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1CCNC1=O ZINC000617762168 356155675 /nfs/dbraw/zinc/15/56/75/356155675.db2.gz IZTFBXPWNUZCGN-NSHDSACASA-N 2 2 270.377 -0.878 20 0 CBADLP CCn1nncc1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617763094 356155740 /nfs/dbraw/zinc/15/57/40/356155740.db2.gz DZJVBCLSMWRZPW-UHFFFAOYSA-N 2 2 282.392 -0.089 20 0 CBADLP CCn1nncc1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617763094 356155744 /nfs/dbraw/zinc/15/57/44/356155744.db2.gz DZJVBCLSMWRZPW-UHFFFAOYSA-N 2 2 282.392 -0.089 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc2n(n1)CCO2 ZINC000617764036 356155926 /nfs/dbraw/zinc/15/59/26/356155926.db2.gz GMMNQQWHDANCDL-UHFFFAOYSA-N 2 2 295.387 -0.111 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc2n(n1)CCO2 ZINC000617764036 356155930 /nfs/dbraw/zinc/15/59/30/356155930.db2.gz GMMNQQWHDANCDL-UHFFFAOYSA-N 2 2 295.387 -0.111 20 0 CBADLP CC(=O)N[C@H](C)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617768897 356156381 /nfs/dbraw/zinc/15/63/81/356156381.db2.gz YICJVSCPMHTPDT-LLVKDONJSA-N 2 2 272.393 -0.489 20 0 CBADLP CC(=O)N[C@H](C)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617768897 356156385 /nfs/dbraw/zinc/15/63/85/356156385.db2.gz YICJVSCPMHTPDT-LLVKDONJSA-N 2 2 272.393 -0.489 20 0 CBADLP CCN1C[C@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)CC1=O ZINC000617768079 356156503 /nfs/dbraw/zinc/15/65/03/356156503.db2.gz OBUSQUPFLWLDNA-CYBMUJFWSA-N 2 2 298.431 -0.146 20 0 CBADLP CCN1C[C@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)CC1=O ZINC000617768079 356156509 /nfs/dbraw/zinc/15/65/09/356156509.db2.gz OBUSQUPFLWLDNA-CYBMUJFWSA-N 2 2 298.431 -0.146 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C1(C(N)=O)CCC1 ZINC000617766526 356156683 /nfs/dbraw/zinc/15/66/83/356156683.db2.gz NVYRAGBGZMLNME-UHFFFAOYSA-N 2 2 284.404 -0.358 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C1(C(N)=O)CCC1 ZINC000617766526 356156686 /nfs/dbraw/zinc/15/66/86/356156686.db2.gz NVYRAGBGZMLNME-UHFFFAOYSA-N 2 2 284.404 -0.358 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C1CC(=O)C1 ZINC000617765938 356156695 /nfs/dbraw/zinc/15/66/95/356156695.db2.gz WPNJCDUWAFABAD-UHFFFAOYSA-N 2 2 255.362 -0.035 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C1CC(=O)C1 ZINC000617765938 356156698 /nfs/dbraw/zinc/15/66/98/356156698.db2.gz WPNJCDUWAFABAD-UHFFFAOYSA-N 2 2 255.362 -0.035 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1nccnc1N ZINC000617766507 356156830 /nfs/dbraw/zinc/15/68/30/356156830.db2.gz NCCQJBZQNPCUCD-UHFFFAOYSA-N 2 2 280.376 -0.328 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1nccnc1N ZINC000617766507 356156833 /nfs/dbraw/zinc/15/68/33/356156833.db2.gz NCCQJBZQNPCUCD-UHFFFAOYSA-N 2 2 280.376 -0.328 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cn[nH]n1 ZINC000617767097 356157105 /nfs/dbraw/zinc/15/71/05/356157105.db2.gz GXUAXXQUQBPJJB-UHFFFAOYSA-N 2 2 254.338 -0.582 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cn[nH]n1 ZINC000617767097 356157108 /nfs/dbraw/zinc/15/71/08/356157108.db2.gz GXUAXXQUQBPJJB-UHFFFAOYSA-N 2 2 254.338 -0.582 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cnn[nH]1 ZINC000617767097 356157111 /nfs/dbraw/zinc/15/71/11/356157111.db2.gz GXUAXXQUQBPJJB-UHFFFAOYSA-N 2 2 254.338 -0.582 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cnn[nH]1 ZINC000617767097 356157113 /nfs/dbraw/zinc/15/71/13/356157113.db2.gz GXUAXXQUQBPJJB-UHFFFAOYSA-N 2 2 254.338 -0.582 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2C[NH+](C)CCO2)[C@H](C)CO1 ZINC000617731173 356151846 /nfs/dbraw/zinc/15/18/46/356151846.db2.gz WJLLFYYBLODXDP-UPJWGTAASA-N 2 2 285.388 -0.458 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2C[NH+](C)CCO2)[C@H](C)CO1 ZINC000617731173 356151849 /nfs/dbraw/zinc/15/18/49/356151849.db2.gz WJLLFYYBLODXDP-UPJWGTAASA-N 2 2 285.388 -0.458 20 0 CBADLP C[C@@H]1C[NH+](CCNC(=O)[C@@H]2C[N@H+](C)CCO2)[C@H](C)CO1 ZINC000617731173 356151853 /nfs/dbraw/zinc/15/18/53/356151853.db2.gz WJLLFYYBLODXDP-UPJWGTAASA-N 2 2 285.388 -0.458 20 0 CBADLP C[C@@H]1C[NH+](CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H](C)CO1 ZINC000617731173 356151855 /nfs/dbraw/zinc/15/18/55/356151855.db2.gz WJLLFYYBLODXDP-UPJWGTAASA-N 2 2 285.388 -0.458 20 0 CBADLP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)C[NH+]1CC(C)(C)C1 ZINC000618308168 356186196 /nfs/dbraw/zinc/18/61/96/356186196.db2.gz AFOBXQWSBWGNJH-UHFFFAOYSA-N 2 2 298.431 -0.193 20 0 CBADLP CC(C)[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)CC[NH2+]1 ZINC000621154913 356257373 /nfs/dbraw/zinc/25/73/73/356257373.db2.gz VCGINVIGOBXWHL-NWDGAFQWSA-N 2 2 255.362 -0.227 20 0 CBADLP CC(C)[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC[NH2+]1 ZINC000621154913 356257376 /nfs/dbraw/zinc/25/73/76/356257376.db2.gz VCGINVIGOBXWHL-NWDGAFQWSA-N 2 2 255.362 -0.227 20 0 CBADLP CNS(=O)(=O)CC[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000621261638 356261102 /nfs/dbraw/zinc/26/11/02/356261102.db2.gz YBPRCAKYEHCELR-WDEREUQCSA-N 2 2 263.407 -0.050 20 0 CBADLP CNS(=O)(=O)CC[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000621261638 356261107 /nfs/dbraw/zinc/26/11/07/356261107.db2.gz YBPRCAKYEHCELR-WDEREUQCSA-N 2 2 263.407 -0.050 20 0 CBADLP CNS(=O)(=O)CC[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000621261638 356261111 /nfs/dbraw/zinc/26/11/11/356261111.db2.gz YBPRCAKYEHCELR-WDEREUQCSA-N 2 2 263.407 -0.050 20 0 CBADLP CNS(=O)(=O)CC[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000621261638 356261112 /nfs/dbraw/zinc/26/11/12/356261112.db2.gz YBPRCAKYEHCELR-WDEREUQCSA-N 2 2 263.407 -0.050 20 0 CBADLP CNS(=O)(=O)CC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000621258857 356261593 /nfs/dbraw/zinc/26/15/93/356261593.db2.gz ABJGYXKMTCWNFO-GFCCVEGCSA-N 2 2 275.418 -0.047 20 0 CBADLP CNS(=O)(=O)CC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000621258857 356261598 /nfs/dbraw/zinc/26/15/98/356261598.db2.gz ABJGYXKMTCWNFO-GFCCVEGCSA-N 2 2 275.418 -0.047 20 0 CBADLP C[N@@H+]1CCO[C@H](CNc2[nH+]cnc3[nH]cc(C(N)=O)c32)C1 ZINC000621258530 356261995 /nfs/dbraw/zinc/26/19/95/356261995.db2.gz OYKADEVPZISMTA-MRVPVSSYSA-N 2 2 290.327 -0.249 20 0 CBADLP C[N@H+]1CCO[C@H](CNc2[nH+]cnc3[nH]cc(C(N)=O)c32)C1 ZINC000621258530 356262000 /nfs/dbraw/zinc/26/20/00/356262000.db2.gz OYKADEVPZISMTA-MRVPVSSYSA-N 2 2 290.327 -0.249 20 0 CBADLP CNS(=O)(=O)CC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000621287674 356266265 /nfs/dbraw/zinc/26/62/65/356266265.db2.gz XAXCKABBPWBGJT-UHFFFAOYSA-N 2 2 273.362 -0.919 20 0 CBADLP CNS(=O)(=O)CC[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000621299010 356267888 /nfs/dbraw/zinc/26/78/88/356267888.db2.gz QQLJIRDABPHXME-GFCCVEGCSA-N 2 2 275.418 -0.047 20 0 CBADLP CNS(=O)(=O)CC[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000621299010 356267889 /nfs/dbraw/zinc/26/78/89/356267889.db2.gz QQLJIRDABPHXME-GFCCVEGCSA-N 2 2 275.418 -0.047 20 0 CBADLP CNS(=O)(=O)CC[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000621299010 356267892 /nfs/dbraw/zinc/26/78/92/356267892.db2.gz QQLJIRDABPHXME-GFCCVEGCSA-N 2 2 275.418 -0.047 20 0 CBADLP CNS(=O)(=O)CC[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000621299010 356267894 /nfs/dbraw/zinc/26/78/94/356267894.db2.gz QQLJIRDABPHXME-GFCCVEGCSA-N 2 2 275.418 -0.047 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621680892 356280073 /nfs/dbraw/zinc/28/00/73/356280073.db2.gz JZSTXZQDSNGDFF-GVXVVHGQSA-N 3 2 254.378 -0.395 20 0 CBADLP C[C@H](NC(=O)[C@H]1C[N@@H+]2CCN1CCC2)c1[nH+]ccn1C ZINC000620603368 356246821 /nfs/dbraw/zinc/24/68/21/356246821.db2.gz HCNBJJWPEUZOCS-NWDGAFQWSA-N 2 2 277.372 -0.013 20 0 CBADLP C[C@H](NC(=O)[C@H]1C[N@H+]2CCN1CCC2)c1[nH+]ccn1C ZINC000620603368 356246824 /nfs/dbraw/zinc/24/68/24/356246824.db2.gz HCNBJJWPEUZOCS-NWDGAFQWSA-N 2 2 277.372 -0.013 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000622525119 356324086 /nfs/dbraw/zinc/32/40/86/356324086.db2.gz SSZPYDAVHDGNPX-NSHDSACASA-N 2 2 266.345 -0.283 20 0 CBADLP CCn1nccc1CC[N@H+](CC[NH3+])C[C@@H](O)CO ZINC000621776789 356283560 /nfs/dbraw/zinc/28/35/60/356283560.db2.gz WMLJLRPWWITCKQ-GFCCVEGCSA-N 2 2 256.350 -0.941 20 0 CBADLP CCn1nccc1CC[N@@H+](CC[NH3+])C[C@@H](O)CO ZINC000621776789 356283562 /nfs/dbraw/zinc/28/35/62/356283562.db2.gz WMLJLRPWWITCKQ-GFCCVEGCSA-N 2 2 256.350 -0.941 20 0 CBADLP CNS(=O)(=O)CCC[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621781902 356284562 /nfs/dbraw/zinc/28/45/62/356284562.db2.gz JVBKDJNSFWQOGI-GHMZBOCLSA-N 2 2 261.391 -0.261 20 0 CBADLP CNS(=O)(=O)CCC[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621781902 356284566 /nfs/dbraw/zinc/28/45/66/356284566.db2.gz JVBKDJNSFWQOGI-GHMZBOCLSA-N 2 2 261.391 -0.261 20 0 CBADLP CNS(=O)(=O)CCC[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621781905 356284808 /nfs/dbraw/zinc/28/48/08/356284808.db2.gz JVBKDJNSFWQOGI-WDEREUQCSA-N 2 2 261.391 -0.261 20 0 CBADLP CNS(=O)(=O)CCC[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621781905 356284811 /nfs/dbraw/zinc/28/48/11/356284811.db2.gz JVBKDJNSFWQOGI-WDEREUQCSA-N 2 2 261.391 -0.261 20 0 CBADLP Cn1c(C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cc(=O)n(C)c1=O ZINC000621779499 356284910 /nfs/dbraw/zinc/28/49/10/356284910.db2.gz FVVFRGZZBHHTPA-QMTHXVAHSA-N 2 2 278.356 -0.603 20 0 CBADLP Cn1c(C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cc(=O)n(C)c1=O ZINC000621779499 356284913 /nfs/dbraw/zinc/28/49/13/356284913.db2.gz FVVFRGZZBHHTPA-QMTHXVAHSA-N 2 2 278.356 -0.603 20 0 CBADLP [NH3+][C@]12CCC[C@@H]1C[N@H+](CCN1C(=O)CNC1=O)C2 ZINC000621780468 356284920 /nfs/dbraw/zinc/28/49/20/356284920.db2.gz RTVFOSJMOOWFMD-SKDRFNHKSA-N 2 2 252.318 -0.649 20 0 CBADLP [NH3+][C@]12CCC[C@@H]1C[N@@H+](CCN1C(=O)CNC1=O)C2 ZINC000621780468 356284923 /nfs/dbraw/zinc/28/49/23/356284923.db2.gz RTVFOSJMOOWFMD-SKDRFNHKSA-N 2 2 252.318 -0.649 20 0 CBADLP COC(=O)CNC(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000157358897 291088856 /nfs/dbraw/zinc/08/88/56/291088856.db2.gz QRZWTTZDXQDBFW-LBPRGKRZSA-N 2 2 283.372 -0.307 20 0 CBADLP COC(=O)CNC(=O)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000157358897 291088857 /nfs/dbraw/zinc/08/88/57/291088857.db2.gz QRZWTTZDXQDBFW-LBPRGKRZSA-N 2 2 283.372 -0.307 20 0 CBADLP C[N@@H+]1CC[C@@](O)(CNC(=O)C(C)(C)c2c[nH]c[nH+]2)C1 ZINC000621954572 356296591 /nfs/dbraw/zinc/29/65/91/356296591.db2.gz BECDHRQFWVJCQU-CYBMUJFWSA-N 2 2 266.345 -0.130 20 0 CBADLP C[N@H+]1CC[C@@](O)(CNC(=O)C(C)(C)c2c[nH]c[nH+]2)C1 ZINC000621954572 356296593 /nfs/dbraw/zinc/29/65/93/356296593.db2.gz BECDHRQFWVJCQU-CYBMUJFWSA-N 2 2 266.345 -0.130 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000622024066 356300271 /nfs/dbraw/zinc/30/02/71/356300271.db2.gz LASKUSOUWBHWPA-DOMZBBRYSA-N 2 2 294.399 -0.510 20 0 CBADLP CN(Cc1c[nH+]c[nH]1)C(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000622030874 356302039 /nfs/dbraw/zinc/30/20/39/356302039.db2.gz CLZZFCHKZCEZBY-QMTHXVAHSA-N 2 2 291.355 -0.292 20 0 CBADLP CN(Cc1c[nH]c[nH+]1)C(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000622030874 356302042 /nfs/dbraw/zinc/30/20/42/356302042.db2.gz CLZZFCHKZCEZBY-QMTHXVAHSA-N 2 2 291.355 -0.292 20 0 CBADLP CC(=O)N1CC[C@@H]([NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000622044597 356302752 /nfs/dbraw/zinc/30/27/52/356302752.db2.gz LRUZTKJWLFGKJK-MCIONIFRSA-N 2 2 267.373 -0.036 20 0 CBADLP C[NH+]1CCN(CC(=O)NC(C)(C)C[NH+]2CCOCC2)CC1 ZINC000622124311 356308890 /nfs/dbraw/zinc/30/88/90/356308890.db2.gz JDLOAJXRNBLCHF-UHFFFAOYSA-N 2 2 298.431 -0.539 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)Cn2cc[nH+]c2C)CC1 ZINC000622308655 356315613 /nfs/dbraw/zinc/31/56/13/356315613.db2.gz NUGFLGYCSUGLBC-UHFFFAOYSA-N 2 2 293.371 -0.528 20 0 CBADLP C[NH+](C)CC(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000622689869 356338017 /nfs/dbraw/zinc/33/80/17/356338017.db2.gz WAIIPASAYPWMPR-UHFFFAOYSA-N 2 2 285.388 -0.454 20 0 CBADLP CCn1nncc1C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000623619675 356369458 /nfs/dbraw/zinc/36/94/58/356369458.db2.gz RQNUYEJZSVIEFE-LBPRGKRZSA-N 2 2 280.376 -0.273 20 0 CBADLP CCn1nncc1C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000623619675 356369459 /nfs/dbraw/zinc/36/94/59/356369459.db2.gz RQNUYEJZSVIEFE-LBPRGKRZSA-N 2 2 280.376 -0.273 20 0 CBADLP C[NH+](C)CCn1ccc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)n1 ZINC000623255726 356357903 /nfs/dbraw/zinc/35/79/03/356357903.db2.gz RJLFADUCGWVYIE-NSHDSACASA-N 2 2 288.355 -0.004 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1 ZINC000623264837 356358542 /nfs/dbraw/zinc/35/85/42/356358542.db2.gz VHMYVXYEXFQFOJ-ZYHUDNBSSA-N 2 2 264.329 -0.355 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1 ZINC000623264837 356358543 /nfs/dbraw/zinc/35/85/43/356358543.db2.gz VHMYVXYEXFQFOJ-ZYHUDNBSSA-N 2 2 264.329 -0.355 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623263322 356358583 /nfs/dbraw/zinc/35/85/83/356358583.db2.gz IXIRHINIGUBDFG-NEPJUHHUSA-N 2 2 278.356 -0.108 20 0 CBADLP CC[NH+]1CCN(CCC(=O)N[C@@H]2Cc3c[nH+]cn3C2)CC1 ZINC000623265585 356358624 /nfs/dbraw/zinc/35/86/24/356358624.db2.gz JHFMHSYKPJYXCP-CYBMUJFWSA-N 2 2 291.399 -0.048 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000623477216 356365553 /nfs/dbraw/zinc/36/55/53/356365553.db2.gz CLOWRKJNKFZUNH-NWDGAFQWSA-N 2 2 281.360 -0.099 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000623477216 356365555 /nfs/dbraw/zinc/36/55/55/356365555.db2.gz CLOWRKJNKFZUNH-NWDGAFQWSA-N 2 2 281.360 -0.099 20 0 CBADLP C[NH+]1CCOC[C@H]1CNC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000623717227 356372031 /nfs/dbraw/zinc/37/20/31/356372031.db2.gz QKQFIYCEZOVFKU-NWDGAFQWSA-N 2 2 270.377 -0.290 20 0 CBADLP C[NH+]1CCOC[C@H]1CNC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000623717227 356372036 /nfs/dbraw/zinc/37/20/36/356372036.db2.gz QKQFIYCEZOVFKU-NWDGAFQWSA-N 2 2 270.377 -0.290 20 0 CBADLP C[NH+]1CCC[C@H](NC(=O)NC[C@@H]2COCC[N@@H+]2C)C1 ZINC000623717227 356372038 /nfs/dbraw/zinc/37/20/38/356372038.db2.gz QKQFIYCEZOVFKU-NWDGAFQWSA-N 2 2 270.377 -0.290 20 0 CBADLP C[NH+]1CCC[C@H](NC(=O)NC[C@@H]2COCC[N@H+]2C)C1 ZINC000623717227 356372040 /nfs/dbraw/zinc/37/20/40/356372040.db2.gz QKQFIYCEZOVFKU-NWDGAFQWSA-N 2 2 270.377 -0.290 20 0 CBADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CC[NH+](CCO)CC1)CC2 ZINC000623936413 356383469 /nfs/dbraw/zinc/38/34/69/356383469.db2.gz XRFLABGXBYLUDL-CYBMUJFWSA-N 2 2 292.383 -0.110 20 0 CBADLP CN(CC1CC[NH+](C)CC1)c1nc(N)nc(N)[nH+]1 ZINC000623938721 356384135 /nfs/dbraw/zinc/38/41/35/356384135.db2.gz ZXLKRDLFRMJPQW-UHFFFAOYSA-N 2 2 251.338 -0.525 20 0 CBADLP Nc1nc(N2CCCC[C@H]2C[NH+]2CCOCC2)nc(N)[nH+]1 ZINC000623961147 356385103 /nfs/dbraw/zinc/38/51/03/356385103.db2.gz UFKAGAWRWOVABB-JTQLQIEISA-N 2 2 293.375 -0.612 20 0 CBADLP CN(C[C@H]1CCC[N@H+](C)C1)c1nc(N)nc(N)[nH+]1 ZINC000623974424 356385583 /nfs/dbraw/zinc/38/55/83/356385583.db2.gz DYZDJYBXGASOJX-QMMMGPOBSA-N 2 2 251.338 -0.525 20 0 CBADLP CN(C[C@H]1CCC[N@@H+](C)C1)c1nc(N)nc(N)[nH+]1 ZINC000623974424 356385587 /nfs/dbraw/zinc/38/55/87/356385587.db2.gz DYZDJYBXGASOJX-QMMMGPOBSA-N 2 2 251.338 -0.525 20 0 CBADLP CC[C@H]1C[N@H+](CC)CCN1c1nc(N)[nH+]c(N)n1 ZINC000624257597 356408790 /nfs/dbraw/zinc/40/87/90/356408790.db2.gz KBUJQACCCPEXKN-QMMMGPOBSA-N 2 2 251.338 -0.383 20 0 CBADLP CC[C@H]1C[N@@H+](CC)CCN1c1nc(N)[nH+]c(N)n1 ZINC000624257597 356408791 /nfs/dbraw/zinc/40/87/91/356408791.db2.gz KBUJQACCCPEXKN-QMMMGPOBSA-N 2 2 251.338 -0.383 20 0 CBADLP CN(CC1C[NH+](C)C1)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000624725251 356434956 /nfs/dbraw/zinc/43/49/56/356434956.db2.gz HSDWMLAAXSTAFI-GFCCVEGCSA-N 2 2 270.377 -0.480 20 0 CBADLP CN(CC1C[NH+](C)C1)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000624725251 356434960 /nfs/dbraw/zinc/43/49/60/356434960.db2.gz HSDWMLAAXSTAFI-GFCCVEGCSA-N 2 2 270.377 -0.480 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)CN1CCc2[nH+]c[nH]c2C1 ZINC000625435473 356465529 /nfs/dbraw/zinc/46/55/29/356465529.db2.gz SFVFGDPYQWHMDH-LLVKDONJSA-N 2 2 268.361 -0.293 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)CN1CCc2[nH+]c[nH]c2C1 ZINC000625435473 356465534 /nfs/dbraw/zinc/46/55/34/356465534.db2.gz SFVFGDPYQWHMDH-LLVKDONJSA-N 2 2 268.361 -0.293 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000625547455 356473717 /nfs/dbraw/zinc/47/37/17/356473717.db2.gz KXOGMNOLNFDPIU-UHFFFAOYSA-N 2 2 293.371 -0.528 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)C[C@H]1C[C@@H](O)C1 ZINC000626046513 356503272 /nfs/dbraw/zinc/50/32/72/356503272.db2.gz GVHJIBZEBMXUIM-FRRDWIJNSA-N 2 2 260.378 -0.372 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)C[C@H]1C[C@@H](O)C1 ZINC000626046513 356503276 /nfs/dbraw/zinc/50/32/76/356503276.db2.gz GVHJIBZEBMXUIM-FRRDWIJNSA-N 2 2 260.378 -0.372 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000626046513 356503279 /nfs/dbraw/zinc/50/32/79/356503279.db2.gz GVHJIBZEBMXUIM-FRRDWIJNSA-N 2 2 260.378 -0.372 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000626046513 356503281 /nfs/dbraw/zinc/50/32/81/356503281.db2.gz GVHJIBZEBMXUIM-FRRDWIJNSA-N 2 2 260.378 -0.372 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CC[NH2+]C1 ZINC000626935165 356557294 /nfs/dbraw/zinc/55/72/94/356557294.db2.gz YPMMKMXPUGYVEF-GHMZBOCLSA-N 2 2 256.350 -0.632 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000626940398 356557666 /nfs/dbraw/zinc/55/76/66/356557666.db2.gz YMUGMKWWAFZYKD-WDEREUQCSA-N 2 2 267.333 -0.441 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000626940395 356558081 /nfs/dbraw/zinc/55/80/81/356558081.db2.gz YMUGMKWWAFZYKD-GHMZBOCLSA-N 2 2 267.333 -0.441 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NC[C@H]1COCC[NH2+]1 ZINC000626940397 356558118 /nfs/dbraw/zinc/55/81/18/356558118.db2.gz YMUGMKWWAFZYKD-QWRGUYRKSA-N 2 2 267.333 -0.441 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NCCOCCC[NH3+] ZINC000626969607 356560609 /nfs/dbraw/zinc/56/06/09/356560609.db2.gz ACZAWFQRBWHCLZ-GFCCVEGCSA-N 2 2 288.392 -0.628 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NCCOCCC[NH3+] ZINC000626969607 356560614 /nfs/dbraw/zinc/56/06/14/356560614.db2.gz ACZAWFQRBWHCLZ-GFCCVEGCSA-N 2 2 288.392 -0.628 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@@H]3CC[NH2+]C3)C2)CC1 ZINC000626979251 356562646 /nfs/dbraw/zinc/56/26/46/356562646.db2.gz VBJVUWPNXDXZGK-CHWSQXEVSA-N 3 2 295.431 -0.184 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N[C@@H]3CC[NH2+]C3)C2)CC1 ZINC000626979251 356562648 /nfs/dbraw/zinc/56/26/48/356562648.db2.gz VBJVUWPNXDXZGK-CHWSQXEVSA-N 3 2 295.431 -0.184 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C[C@H]1C[NH2+]CCO1 ZINC000091299748 295928423 /nfs/dbraw/zinc/92/84/23/295928423.db2.gz DPPKEDNKPNHJNA-RYUDHWBXSA-N 2 2 271.361 -0.798 20 0 CBADLP O=C(NC[C@H]1COCC[NH2+]1)NCC1([NH+]2CCOCC2)CC1 ZINC000627021152 356568168 /nfs/dbraw/zinc/56/81/68/356568168.db2.gz RDRTVKYBINHPLX-LBPRGKRZSA-N 2 2 298.387 -0.861 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)NC[C@H]1CCC[NH2+]1 ZINC000627072810 356573276 /nfs/dbraw/zinc/57/32/76/356573276.db2.gz ADXLEYJEXUJMEW-GHMZBOCLSA-N 2 2 256.350 -0.632 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)NC[C@H]1CCC[NH2+]1 ZINC000627072810 356573280 /nfs/dbraw/zinc/57/32/80/356573280.db2.gz ADXLEYJEXUJMEW-GHMZBOCLSA-N 2 2 256.350 -0.632 20 0 CBADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000627157366 356590263 /nfs/dbraw/zinc/59/02/63/356590263.db2.gz SKEFZRJRDGKVBB-GRYCIOLGSA-N 2 2 270.377 -0.243 20 0 CBADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000627157366 356590266 /nfs/dbraw/zinc/59/02/66/356590266.db2.gz SKEFZRJRDGKVBB-GRYCIOLGSA-N 2 2 270.377 -0.243 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000627076357 356574514 /nfs/dbraw/zinc/57/45/14/356574514.db2.gz XHDYDADYINKUJL-GHMZBOCLSA-N 2 2 256.350 -0.632 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000627076357 356574520 /nfs/dbraw/zinc/57/45/20/356574520.db2.gz XHDYDADYINKUJL-GHMZBOCLSA-N 2 2 256.350 -0.632 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)NCC1([NH3+])CCC1 ZINC000627083195 356578341 /nfs/dbraw/zinc/57/83/41/356578341.db2.gz GRNWSVQOGOGBNA-SNVBAGLBSA-N 2 2 256.350 -0.502 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)NCC1([NH3+])CCC1 ZINC000627083195 356578342 /nfs/dbraw/zinc/57/83/42/356578342.db2.gz GRNWSVQOGOGBNA-SNVBAGLBSA-N 2 2 256.350 -0.502 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000627086460 356579096 /nfs/dbraw/zinc/57/90/96/356579096.db2.gz ANUOXEKPSPHAGT-UTUOFQBUSA-N 2 2 270.377 -0.114 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000627086460 356579099 /nfs/dbraw/zinc/57/90/99/356579099.db2.gz ANUOXEKPSPHAGT-UTUOFQBUSA-N 2 2 270.377 -0.114 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000627086461 356579248 /nfs/dbraw/zinc/57/92/48/356579248.db2.gz ANUOXEKPSPHAGT-WOPDTQHZSA-N 2 2 270.377 -0.114 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000627086461 356579252 /nfs/dbraw/zinc/57/92/52/356579252.db2.gz ANUOXEKPSPHAGT-WOPDTQHZSA-N 2 2 270.377 -0.114 20 0 CBADLP C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2COCC[N@@H+]2C)CC[NH2+]1 ZINC000627089883 356581678 /nfs/dbraw/zinc/58/16/78/356581678.db2.gz PXDDZKGDGLTNSJ-GRYCIOLGSA-N 2 2 270.377 -0.243 20 0 CBADLP C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2COCC[N@H+]2C)CC[NH2+]1 ZINC000627089883 356581681 /nfs/dbraw/zinc/58/16/81/356581681.db2.gz PXDDZKGDGLTNSJ-GRYCIOLGSA-N 2 2 270.377 -0.243 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000627101731 356583086 /nfs/dbraw/zinc/58/30/86/356583086.db2.gz DVSFFJAXVAVEKH-WOPDTQHZSA-N 2 2 270.377 -0.256 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000627101731 356583090 /nfs/dbraw/zinc/58/30/90/356583090.db2.gz DVSFFJAXVAVEKH-WOPDTQHZSA-N 2 2 270.377 -0.256 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)NCC1([NH3+])CCCC1 ZINC000627113220 356586030 /nfs/dbraw/zinc/58/60/30/356586030.db2.gz WCKXPZCTQHUBHM-LLVKDONJSA-N 2 2 270.377 -0.112 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)NCC1([NH3+])CCCC1 ZINC000627113220 356586034 /nfs/dbraw/zinc/58/60/34/356586034.db2.gz WCKXPZCTQHUBHM-LLVKDONJSA-N 2 2 270.377 -0.112 20 0 CBADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000627244992 356611105 /nfs/dbraw/zinc/61/11/05/356611105.db2.gz BLUPOKUAMVJQDK-WUHRBBMRSA-N 2 2 282.388 -0.101 20 0 CBADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000627244992 356611111 /nfs/dbraw/zinc/61/11/11/356611111.db2.gz BLUPOKUAMVJQDK-WUHRBBMRSA-N 2 2 282.388 -0.101 20 0 CBADLP Cn1cc[nH+]c1CN1CCN(C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000627248744 356611794 /nfs/dbraw/zinc/61/17/94/356611794.db2.gz ZSNSENPVCNLJOL-GFCCVEGCSA-N 2 2 292.387 -0.391 20 0 CBADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627251260 356614237 /nfs/dbraw/zinc/61/42/37/356614237.db2.gz DGPLVFFQVBGDMH-XQQFMLRXSA-N 2 2 282.388 -0.147 20 0 CBADLP C[NH2+]CCOCCNC(=O)N(C)CC[NH+]1CCOCC1 ZINC000627177394 356595221 /nfs/dbraw/zinc/59/52/21/356595221.db2.gz HEUXPCQXVOEBLZ-UHFFFAOYSA-N 2 2 288.392 -0.804 20 0 CBADLP C[C@H]([NH3+])[C@H]1CN(C(=O)NC[C@@H]2COCC[N@@H+]2C)CCO1 ZINC000627182598 356595633 /nfs/dbraw/zinc/59/56/33/356595633.db2.gz BBWFYPKRYBWOQN-QJPTWQEYSA-N 2 2 286.376 -0.925 20 0 CBADLP C[C@H]([NH3+])[C@H]1CN(C(=O)NC[C@@H]2COCC[N@H+]2C)CCO1 ZINC000627182598 356595635 /nfs/dbraw/zinc/59/56/35/356595635.db2.gz BBWFYPKRYBWOQN-QJPTWQEYSA-N 2 2 286.376 -0.925 20 0 CBADLP C[C@@H]1CN(C(=O)NC[C@@H]2COCC[N@@H+]2C)[C@H](C)C[NH2+]1 ZINC000627183199 356595745 /nfs/dbraw/zinc/59/57/45/356595745.db2.gz HXHULEKAEDJEQG-IJLUTSLNSA-N 2 2 270.377 -0.291 20 0 CBADLP C[C@@H]1CN(C(=O)NC[C@@H]2COCC[N@H+]2C)[C@H](C)C[NH2+]1 ZINC000627183199 356595750 /nfs/dbraw/zinc/59/57/50/356595750.db2.gz HXHULEKAEDJEQG-IJLUTSLNSA-N 2 2 270.377 -0.291 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CCC(C[NH3+])CC1 ZINC000627183537 356596437 /nfs/dbraw/zinc/59/64/37/356596437.db2.gz LQVONAPEGSAPAL-LBPRGKRZSA-N 2 2 270.377 -0.303 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N1CCC(C[NH3+])CC1 ZINC000627183537 356596440 /nfs/dbraw/zinc/59/64/40/356596440.db2.gz LQVONAPEGSAPAL-LBPRGKRZSA-N 2 2 270.377 -0.303 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000627183283 356596530 /nfs/dbraw/zinc/59/65/30/356596530.db2.gz JJDAKWXJBAVIHY-RWMBFGLXSA-N 2 2 282.388 -0.290 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000627183283 356596534 /nfs/dbraw/zinc/59/65/34/356596534.db2.gz JJDAKWXJBAVIHY-RWMBFGLXSA-N 2 2 282.388 -0.290 20 0 CBADLP C[NH2+][C@@H]1CCCN(C(=O)NC[C@@H]2COCC[N@@H+]2C)C1 ZINC000627183544 356596683 /nfs/dbraw/zinc/59/66/83/356596683.db2.gz LUQMCNKSCMLXIX-VXGBXAGGSA-N 2 2 270.377 -0.290 20 0 CBADLP C[NH2+][C@@H]1CCCN(C(=O)NC[C@@H]2COCC[N@H+]2C)C1 ZINC000627183544 356596685 /nfs/dbraw/zinc/59/66/85/356596685.db2.gz LUQMCNKSCMLXIX-VXGBXAGGSA-N 2 2 270.377 -0.290 20 0 CBADLP C[C@@H]1CN(C(=O)NC[C@@H]2COCC[N@@H+]2C)CC[C@@H]1[NH3+] ZINC000627183789 356596707 /nfs/dbraw/zinc/59/67/07/356596707.db2.gz MXPDMLNCPLWSEY-UTUOFQBUSA-N 2 2 270.377 -0.304 20 0 CBADLP C[C@@H]1CN(C(=O)NC[C@@H]2COCC[N@H+]2C)CC[C@@H]1[NH3+] ZINC000627183789 356596709 /nfs/dbraw/zinc/59/67/09/356596709.db2.gz MXPDMLNCPLWSEY-UTUOFQBUSA-N 2 2 270.377 -0.304 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)NC(C)(C)CC[NH3+] ZINC000627183974 356597222 /nfs/dbraw/zinc/59/72/22/356597222.db2.gz QCGOBGANMFPOOE-JTQLQIEISA-N 2 2 258.366 -0.256 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)NC(C)(C)CC[NH3+] ZINC000627183974 356597227 /nfs/dbraw/zinc/59/72/27/356597227.db2.gz QCGOBGANMFPOOE-JTQLQIEISA-N 2 2 258.366 -0.256 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CCC[C@@H]1C[NH3+] ZINC000627183946 356597348 /nfs/dbraw/zinc/59/73/48/356597348.db2.gz PMRJPDMOKXFTGY-MNOVXSKESA-N 2 2 256.350 -0.550 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N1CCC[C@@H]1C[NH3+] ZINC000627183946 356597352 /nfs/dbraw/zinc/59/73/52/356597352.db2.gz PMRJPDMOKXFTGY-MNOVXSKESA-N 2 2 256.350 -0.550 20 0 CBADLP C[C@@H](O)C[NH+]1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC000328818201 202070673 /nfs/dbraw/zinc/07/06/73/202070673.db2.gz HBKOWNYXHSCUOH-GFCCVEGCSA-N 2 2 280.372 -0.122 20 0 CBADLP O=C(NCCCNc1cccc[nH+]1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627378671 356635335 /nfs/dbraw/zinc/63/53/35/356635335.db2.gz QTUMRGHSFCHYTO-LLVKDONJSA-N 2 2 291.355 -0.522 20 0 CBADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCn1cc[nH+]c1 ZINC000627299636 356622524 /nfs/dbraw/zinc/62/25/24/356622524.db2.gz AAUZIHOMWOFGOO-LBPRGKRZSA-N 2 2 293.371 -0.544 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627385865 356636022 /nfs/dbraw/zinc/63/60/22/356636022.db2.gz YZAHMDVZJSKIAB-WOPDTQHZSA-N 2 2 293.371 -0.356 20 0 CBADLP CCN(CC[NH3+])C(=O)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000627342131 356629137 /nfs/dbraw/zinc/62/91/37/356629137.db2.gz WZVCZXXMCLFNIQ-UHFFFAOYSA-N 2 2 289.339 -0.242 20 0 CBADLP O=C(NCc1ccn2cc[nH+]c2c1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627341781 356629393 /nfs/dbraw/zinc/62/93/93/356629393.db2.gz PEAOVWIZHYXEOO-LLVKDONJSA-N 2 2 287.323 -0.571 20 0 CBADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)Cc1[nH+]ccn1C ZINC000627457977 356649223 /nfs/dbraw/zinc/64/92/23/356649223.db2.gz PSAROHFJGFXUPX-WDEREUQCSA-N 2 2 293.371 -0.365 20 0 CBADLP C[C@H]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)C[NH2+]1 ZINC000627476645 356653036 /nfs/dbraw/zinc/65/30/36/356653036.db2.gz IWGICXAIADPXOO-NWDGAFQWSA-N 2 2 294.399 -0.450 20 0 CBADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000627503350 356659597 /nfs/dbraw/zinc/65/95/97/356659597.db2.gz JCIMFJVJVDGYEY-CMPLNLGQSA-N 2 2 280.372 -0.840 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc(=O)[nH]cn1 ZINC000628062893 356685496 /nfs/dbraw/zinc/68/54/96/356685496.db2.gz SYYRXNKLPGMWIS-UHFFFAOYSA-N 2 2 281.360 -0.205 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc(=O)[nH]cn1 ZINC000628062893 356685499 /nfs/dbraw/zinc/68/54/99/356685499.db2.gz SYYRXNKLPGMWIS-UHFFFAOYSA-N 2 2 281.360 -0.205 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N2CCC([NH+]3CCOCC3)CC2)C1 ZINC000628124946 356686888 /nfs/dbraw/zinc/68/68/88/356686888.db2.gz DBYYQFCUNWGQGD-AWEZNQCLSA-N 2 2 297.399 -0.360 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N2CCC([NH+]3CCOCC3)CC2)C1 ZINC000628124946 356686893 /nfs/dbraw/zinc/68/68/93/356686893.db2.gz DBYYQFCUNWGQGD-AWEZNQCLSA-N 2 2 297.399 -0.360 20 0 CBADLP C[C@@H](C(=O)NC[C@H]1COCC[N@@H+]1C)N1CC[NH+](C)CC1 ZINC000628919088 356740334 /nfs/dbraw/zinc/74/03/34/356740334.db2.gz RVSQBUXJJIPFJG-STQMWFEESA-N 2 2 284.404 -0.931 20 0 CBADLP C[C@@H](C(=O)NC[C@H]1COCC[N@H+]1C)N1CC[NH+](C)CC1 ZINC000628919088 356740338 /nfs/dbraw/zinc/74/03/38/356740338.db2.gz RVSQBUXJJIPFJG-STQMWFEESA-N 2 2 284.404 -0.931 20 0 CBADLP C[C@@H](C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C)[NH+](C)C ZINC000628576394 356713077 /nfs/dbraw/zinc/71/30/77/356713077.db2.gz DFPWMVXBLKPZNN-SWLSCSKDSA-N 2 2 299.415 -0.332 20 0 CBADLP C[C@@H](C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C)[NH+](C)C ZINC000628576394 356713079 /nfs/dbraw/zinc/71/30/79/356713079.db2.gz DFPWMVXBLKPZNN-SWLSCSKDSA-N 2 2 299.415 -0.332 20 0 CBADLP CN1CCOC[C@@H]1C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000629532618 356776820 /nfs/dbraw/zinc/77/68/20/356776820.db2.gz JXOWFBQMALLDTP-MJBXVCDLSA-N 2 2 269.389 -0.326 20 0 CBADLP O=C(Cc1cn2c([nH+]1)CCCC2)NCC[N@H+]1CC[C@@H](O)C1 ZINC000629165921 356748897 /nfs/dbraw/zinc/74/88/97/356748897.db2.gz DXCWCDXPJOPXOH-CYBMUJFWSA-N 2 2 292.383 -0.055 20 0 CBADLP O=C(Cc1cn2c([nH+]1)CCCC2)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000629165921 356748899 /nfs/dbraw/zinc/74/88/99/356748899.db2.gz DXCWCDXPJOPXOH-CYBMUJFWSA-N 2 2 292.383 -0.055 20 0 CBADLP CC(C)(C(=O)NCC[N@@H+]1CC[C@@H](O)C1)[NH+]1CCOCC1 ZINC000629169450 356751507 /nfs/dbraw/zinc/75/15/07/356751507.db2.gz MDYQPGYSAOKYOU-GFCCVEGCSA-N 2 2 285.388 -0.720 20 0 CBADLP CC(C)(C(=O)NCC[N@H+]1CC[C@@H](O)C1)[NH+]1CCOCC1 ZINC000629169450 356751510 /nfs/dbraw/zinc/75/15/10/356751510.db2.gz MDYQPGYSAOKYOU-GFCCVEGCSA-N 2 2 285.388 -0.720 20 0 CBADLP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)[C@@H]1CN(C)CCO1 ZINC000629570104 356780389 /nfs/dbraw/zinc/78/03/89/356780389.db2.gz IASHRCNDFGAHPO-IHRRRGAJSA-N 2 2 271.405 -0.248 20 0 CBADLP C[C@H](NC[C@H](O)C[NH+]1CCCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000629570104 356780392 /nfs/dbraw/zinc/78/03/92/356780392.db2.gz IASHRCNDFGAHPO-IHRRRGAJSA-N 2 2 271.405 -0.248 20 0 CBADLP C[C@H](NC[C@H](O)C[NH+]1CCCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000629570104 356780397 /nfs/dbraw/zinc/78/03/97/356780397.db2.gz IASHRCNDFGAHPO-IHRRRGAJSA-N 2 2 271.405 -0.248 20 0 CBADLP C[C@@H]1CC[C@@H]([NH2+]Cc2cn(C)c(=O)n(C)c2=O)C[NH2+]1 ZINC000629394478 356770885 /nfs/dbraw/zinc/77/08/85/356770885.db2.gz IQHXOWNAWSSOLI-MWLCHTKSSA-N 2 2 266.345 -0.686 20 0 CBADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)C1C[NH2+]C1 ZINC000629515542 356775861 /nfs/dbraw/zinc/77/58/61/356775861.db2.gz RLYVMLAPHSHLIB-JQWIXIFHSA-N 3 2 254.378 -0.476 20 0 CBADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)C1C[NH2+]C1 ZINC000629515542 356775866 /nfs/dbraw/zinc/77/58/66/356775866.db2.gz RLYVMLAPHSHLIB-JQWIXIFHSA-N 3 2 254.378 -0.476 20 0 CBADLP NC(=O)[C@H]1C[C@H]([NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000629524690 356776052 /nfs/dbraw/zinc/77/60/52/356776052.db2.gz TXILOTCLVQTNTP-KKOKHZNYSA-N 2 2 253.346 -0.393 20 0 CBADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000629512972 356776118 /nfs/dbraw/zinc/77/61/18/356776118.db2.gz GTMKYGCRGUUTSN-IHRRRGAJSA-N 3 2 298.431 -0.317 20 0 CBADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000629512972 356776120 /nfs/dbraw/zinc/77/61/20/356776120.db2.gz GTMKYGCRGUUTSN-IHRRRGAJSA-N 3 2 298.431 -0.317 20 0 CBADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCCN1CCC[C@H]1C(N)=O ZINC000629512972 356776123 /nfs/dbraw/zinc/77/61/23/356776123.db2.gz GTMKYGCRGUUTSN-IHRRRGAJSA-N 2 2 298.431 -0.317 20 0 CBADLP c1nnc2ccc(N3CC[C@H]([NH2+][C@H]4CC[NH2+]C4)C3)nn12 ZINC000629525454 356776137 /nfs/dbraw/zinc/77/61/37/356776137.db2.gz ZGUFTLMUTZXFGV-QWRGUYRKSA-N 2 2 273.344 -0.346 20 0 CBADLP C[N@H+](CC(=O)NCC[NH+]1CCOCC1)C1CCC1 ZINC000629944501 356811098 /nfs/dbraw/zinc/81/10/98/356811098.db2.gz TZQRLLVWBJUANS-UHFFFAOYSA-N 2 2 255.362 -0.081 20 0 CBADLP C[N@@H+](CC(=O)NCC[NH+]1CCOCC1)C1CCC1 ZINC000629944501 356811100 /nfs/dbraw/zinc/81/11/00/356811100.db2.gz TZQRLLVWBJUANS-UHFFFAOYSA-N 2 2 255.362 -0.081 20 0 CBADLP C[N@H+](CC(=O)N1CC[NH+](CCO)CC1)C1CCC1 ZINC000629945971 356811387 /nfs/dbraw/zinc/81/13/87/356811387.db2.gz PQKMGWWQGUSNSJ-UHFFFAOYSA-N 2 2 255.362 -0.393 20 0 CBADLP C[N@@H+](CC(=O)N1CC[NH+](CCO)CC1)C1CCC1 ZINC000629945971 356811393 /nfs/dbraw/zinc/81/13/93/356811393.db2.gz PQKMGWWQGUSNSJ-UHFFFAOYSA-N 2 2 255.362 -0.393 20 0 CBADLP C[N@H+](Cc1nc(C(C)(C)[NH3+])no1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000629582293 356783036 /nfs/dbraw/zinc/78/30/36/356783036.db2.gz RMRLAGZGWGAVFL-OCAPTIKFSA-N 2 2 267.333 -0.041 20 0 CBADLP C[N@@H+](Cc1nc(C(C)(C)[NH3+])no1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000629582293 356783039 /nfs/dbraw/zinc/78/30/39/356783039.db2.gz RMRLAGZGWGAVFL-OCAPTIKFSA-N 2 2 267.333 -0.041 20 0 CBADLP OCCN1CCCC[C@@H]1C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000629585034 356783521 /nfs/dbraw/zinc/78/35/21/356783521.db2.gz YKCIRKOJKCHCDY-CABCVRRESA-N 2 2 285.432 -0.121 20 0 CBADLP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CCNS(C)(=O)=O)C2 ZINC000629585285 356783865 /nfs/dbraw/zinc/78/38/65/356783865.db2.gz QACAZENQXWJVAM-PHIMTYICSA-N 2 2 261.391 -0.533 20 0 CBADLP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CCNS(C)(=O)=O)C2 ZINC000629585285 356783869 /nfs/dbraw/zinc/78/38/69/356783869.db2.gz QACAZENQXWJVAM-PHIMTYICSA-N 2 2 261.391 -0.533 20 0 CBADLP Cn1c(C[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc(=O)n(C)c1=O ZINC000629595078 356785003 /nfs/dbraw/zinc/78/50/03/356785003.db2.gz MRHHLGAKSJPRJR-GASCZTMLSA-N 2 2 292.383 -0.485 20 0 CBADLP Cn1c(C[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc(=O)n(C)c1=O ZINC000629595078 356785005 /nfs/dbraw/zinc/78/50/05/356785005.db2.gz MRHHLGAKSJPRJR-GASCZTMLSA-N 2 2 292.383 -0.485 20 0 CBADLP CC(C)OC[C@H](O)C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000629605571 356785866 /nfs/dbraw/zinc/78/58/66/356785866.db2.gz KGHGPYCHEUAWGZ-OLZOCXBDSA-N 2 2 287.404 -0.298 20 0 CBADLP CC(C)OC[C@H](O)C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000629605571 356785870 /nfs/dbraw/zinc/78/58/70/356785870.db2.gz KGHGPYCHEUAWGZ-OLZOCXBDSA-N 2 2 287.404 -0.298 20 0 CBADLP C[C@@H](C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)[C@H](C)[NH3+] ZINC000629606372 356785996 /nfs/dbraw/zinc/78/59/96/356785996.db2.gz GQDVKLFGJFBXAP-GRYCIOLGSA-N 2 2 273.377 -0.879 20 0 CBADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000629606360 356786080 /nfs/dbraw/zinc/78/60/80/356786080.db2.gz GJORPTYFOKXILS-RDBSUJKOSA-N 2 2 299.415 -0.474 20 0 CBADLP CC(C)[NH2+]CC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000629606615 356786102 /nfs/dbraw/zinc/78/61/02/356786102.db2.gz JXXOVCLVRPCTRX-GFCCVEGCSA-N 2 2 273.377 -0.864 20 0 CBADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000629606359 356786363 /nfs/dbraw/zinc/78/63/63/356786363.db2.gz GJORPTYFOKXILS-MJBXVCDLSA-N 2 2 299.415 -0.474 20 0 CBADLP CC(C)[NH2+]CCC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000629607493 356787075 /nfs/dbraw/zinc/78/70/75/356787075.db2.gz OAPYMBFETPVIFO-CYBMUJFWSA-N 2 2 287.404 -0.474 20 0 CBADLP CNS(=O)(=O)CCC[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000631230678 356878312 /nfs/dbraw/zinc/87/83/12/356878312.db2.gz YIDLRURSIRRHJA-UHFFFAOYSA-N 2 2 289.405 -0.485 20 0 CBADLP O=C(NCCCn1cc[nH+]c1)NCC[N@H+]1CC[C@@H](O)C1 ZINC000630396564 356842723 /nfs/dbraw/zinc/84/27/23/356842723.db2.gz JWRSLLXVMCIBHV-GFCCVEGCSA-N 2 2 281.360 -0.361 20 0 CBADLP O=C(NCCCn1cc[nH+]c1)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000630396564 356842726 /nfs/dbraw/zinc/84/27/26/356842726.db2.gz JWRSLLXVMCIBHV-GFCCVEGCSA-N 2 2 281.360 -0.361 20 0 CBADLP C[C@@H]1[NH2+]CC[C@H]1Nc1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000630544782 356850737 /nfs/dbraw/zinc/85/07/37/356850737.db2.gz JAZUKVYFZKFWAC-WDEREUQCSA-N 2 2 290.371 -0.083 20 0 CBADLP C[C@H]([NH3+])[C@H]1C[N@H+](C[C@H]2CCc3ncnn32)CCO1 ZINC000631822967 356909936 /nfs/dbraw/zinc/90/99/36/356909936.db2.gz SPJVJUSRPNUUSH-HBNTYKKESA-N 2 2 251.334 -0.187 20 0 CBADLP C[C@H]([NH3+])[C@H]1C[N@@H+](C[C@H]2CCc3ncnn32)CCO1 ZINC000631822967 356909938 /nfs/dbraw/zinc/90/99/38/356909938.db2.gz SPJVJUSRPNUUSH-HBNTYKKESA-N 2 2 251.334 -0.187 20 0 CBADLP [NH3+][C@H]1CCCCC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC000631832409 356909962 /nfs/dbraw/zinc/90/99/62/356909962.db2.gz FMZFRJVLBIXOCL-JTQLQIEISA-N 2 2 254.334 -0.259 20 0 CBADLP [NH3+][C@H]1CCCCC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC000631832409 356909965 /nfs/dbraw/zinc/90/99/65/356909965.db2.gz FMZFRJVLBIXOCL-JTQLQIEISA-N 2 2 254.334 -0.259 20 0 CBADLP CCN1CC[C@H]([NH+]2CCC([NH2+]CCO)CC2)C1=O ZINC000631862418 356913657 /nfs/dbraw/zinc/91/36/57/356913657.db2.gz PKFIZVHKISRCTN-LBPRGKRZSA-N 2 2 255.362 -0.347 20 0 CBADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCC([NH2+]CCO)CC1 ZINC000631866630 356914376 /nfs/dbraw/zinc/91/43/76/356914376.db2.gz UJHBFYIMFRWIRX-JTQLQIEISA-N 2 2 255.362 -0.300 20 0 CBADLP O=S(=O)(C[C@@H]1C[NH2+]CCO1)N1CCc2c[nH+]ccc21 ZINC000631924903 356924065 /nfs/dbraw/zinc/92/40/65/356924065.db2.gz HPWPYQBTVQNVHT-NSHDSACASA-N 2 2 283.353 -0.238 20 0 CBADLP C[C@@H](CNS(=O)(=O)C[C@H]1C[N@H+](C)CCO1)[NH+](C)C ZINC000632417862 356986303 /nfs/dbraw/zinc/98/63/03/356986303.db2.gz PDUWTCSSAPAUCZ-WDEREUQCSA-N 2 2 279.406 -0.814 20 0 CBADLP C[C@@H](CNS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1)[NH+](C)C ZINC000632417862 356986304 /nfs/dbraw/zinc/98/63/04/356986304.db2.gz PDUWTCSSAPAUCZ-WDEREUQCSA-N 2 2 279.406 -0.814 20 0 CBADLP C[C@H](CC[NH+](C)C)NS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000632031510 356946259 /nfs/dbraw/zinc/94/62/59/356946259.db2.gz KYOJCHQLPXKOIA-NEPJUHHUSA-N 2 2 293.433 -0.423 20 0 CBADLP C[C@H](CC[NH+](C)C)NS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000632031510 356946260 /nfs/dbraw/zinc/94/62/60/356946260.db2.gz KYOJCHQLPXKOIA-NEPJUHHUSA-N 2 2 293.433 -0.423 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000632862877 357028902 /nfs/dbraw/zinc/02/89/02/357028902.db2.gz WIBWVGLJZBBFGR-VXGBXAGGSA-N 2 2 280.372 -0.981 20 0 CBADLP CN(CCCn1cc[nH+]c1)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633100494 357045691 /nfs/dbraw/zinc/04/56/91/357045691.db2.gz GVCAYWAALCJZSS-RYUDHWBXSA-N 2 2 291.355 -0.696 20 0 CBADLP C[NH+]1CCN(C(=O)C(=O)N2CCCCC[C@@H]([NH3+])C2)CC1 ZINC000633109318 357046810 /nfs/dbraw/zinc/04/68/10/357046810.db2.gz FEGXXYLXWARUIV-GFCCVEGCSA-N 2 2 282.388 -0.510 20 0 CBADLP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000633114940 357048610 /nfs/dbraw/zinc/04/86/10/357048610.db2.gz DZABGZTZFUJUTE-QWRGUYRKSA-N 2 2 280.372 -0.759 20 0 CBADLP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000633114939 357048826 /nfs/dbraw/zinc/04/88/26/357048826.db2.gz DZABGZTZFUJUTE-MNOVXSKESA-N 2 2 280.372 -0.759 20 0 CBADLP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000633137954 357051085 /nfs/dbraw/zinc/05/10/85/357051085.db2.gz AKHZEDJOVUVMTI-NWDGAFQWSA-N 2 2 293.371 -0.320 20 0 CBADLP C[C@H](CCNS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1)[NH+](C)C ZINC000632550013 357001100 /nfs/dbraw/zinc/00/11/00/357001100.db2.gz NEAPEWXQXZZZBK-NEPJUHHUSA-N 2 2 293.433 -0.423 20 0 CBADLP C[C@H](CCNS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1)[NH+](C)C ZINC000632550013 357001103 /nfs/dbraw/zinc/00/11/03/357001103.db2.gz NEAPEWXQXZZZBK-NEPJUHHUSA-N 2 2 293.433 -0.423 20 0 CBADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000632644975 357014350 /nfs/dbraw/zinc/01/43/50/357014350.db2.gz ROYRIYKYCVPHPN-NSHDSACASA-N 2 2 293.371 -0.079 20 0 CBADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000632644975 357014353 /nfs/dbraw/zinc/01/43/53/357014353.db2.gz ROYRIYKYCVPHPN-NSHDSACASA-N 2 2 293.371 -0.079 20 0 CBADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)CCc1nn[nH]n1 ZINC000633613586 357074831 /nfs/dbraw/zinc/07/48/31/357074831.db2.gz BSEYVWGVXAHFMF-NSHDSACASA-N 2 2 297.407 -0.480 20 0 CBADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)CCc1nn[nH]n1 ZINC000633613586 357074834 /nfs/dbraw/zinc/07/48/34/357074834.db2.gz BSEYVWGVXAHFMF-NSHDSACASA-N 2 2 297.407 -0.480 20 0 CBADLP Cn1c(C(=O)NCC[N@H+](C)CCC[NH+](C)C)c[nH]c1=O ZINC000633618276 357076161 /nfs/dbraw/zinc/07/61/61/357076161.db2.gz OOMMMYPEKZFCGC-UHFFFAOYSA-N 2 2 283.376 -0.261 20 0 CBADLP Cn1c(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c[nH]c1=O ZINC000633618276 357076164 /nfs/dbraw/zinc/07/61/64/357076164.db2.gz OOMMMYPEKZFCGC-UHFFFAOYSA-N 2 2 283.376 -0.261 20 0 CBADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C)[NH+](C)C)CC1 ZINC000635265130 357155100 /nfs/dbraw/zinc/15/51/00/357155100.db2.gz NPDHYQWOJQUWFK-GFCCVEGCSA-N 2 2 284.404 -0.393 20 0 CBADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](C)[NH+](C)C)CC1 ZINC000635265130 357155101 /nfs/dbraw/zinc/15/51/01/357155101.db2.gz NPDHYQWOJQUWFK-GFCCVEGCSA-N 2 2 284.404 -0.393 20 0 CBADLP O=c1c2c([nH]n1CCC[NH+]1CCOCC1)CC[NH2+]C2 ZINC000634616581 357124405 /nfs/dbraw/zinc/12/44/05/357124405.db2.gz QPBBSGIIJHLXCI-LLVKDONJSA-N 2 2 266.345 -0.484 20 0 CBADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]C[C@@H](O)C[C@@](C)(O)C1CC1 ZINC000634704093 357127739 /nfs/dbraw/zinc/12/77/39/357127739.db2.gz FWVQDMULOCPALY-QLFBSQMISA-N 2 2 285.432 -0.266 20 0 CBADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]C[C@@H](O)C[C@@](C)(O)C1CC1 ZINC000634704093 357127746 /nfs/dbraw/zinc/12/77/46/357127746.db2.gz FWVQDMULOCPALY-QLFBSQMISA-N 2 2 285.432 -0.266 20 0 CBADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]C[C@H](O)C[C@](C)(O)C1CC1 ZINC000634704092 357128168 /nfs/dbraw/zinc/12/81/68/357128168.db2.gz FWVQDMULOCPALY-KFWWJZLASA-N 2 2 285.432 -0.266 20 0 CBADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]C[C@H](O)C[C@](C)(O)C1CC1 ZINC000634704092 357128169 /nfs/dbraw/zinc/12/81/69/357128169.db2.gz FWVQDMULOCPALY-KFWWJZLASA-N 2 2 285.432 -0.266 20 0 CBADLP O[C@@H]1COC[C@@H]1[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634725243 357130340 /nfs/dbraw/zinc/13/03/40/357130340.db2.gz MHLQHVKIKZVARZ-XHSDSOJGSA-N 2 2 292.379 -0.027 20 0 CBADLP O[C@@H]1COC[C@@H]1[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634725243 357130342 /nfs/dbraw/zinc/13/03/42/357130342.db2.gz MHLQHVKIKZVARZ-XHSDSOJGSA-N 2 2 292.379 -0.027 20 0 CBADLP Cn1cc(C[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)c(=O)n(C)c1=O ZINC000634733787 357131066 /nfs/dbraw/zinc/13/10/66/357131066.db2.gz NWLJBTVGGQPADB-RISCZKNCSA-N 2 2 278.356 -0.684 20 0 CBADLP CCc1c[nH]c(CC(=O)NC[C@@]2(O)CC[N@H+](C)C2)[nH+]1 ZINC000635801402 357210361 /nfs/dbraw/zinc/21/03/61/357210361.db2.gz JFYVUGBDCWJILV-ZDUSSCGKSA-N 2 2 266.345 -0.303 20 0 CBADLP CCc1c[nH]c(CC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)[nH+]1 ZINC000635801402 357210366 /nfs/dbraw/zinc/21/03/66/357210366.db2.gz JFYVUGBDCWJILV-ZDUSSCGKSA-N 2 2 266.345 -0.303 20 0 CBADLP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2CN3CC[NH+]2CCC3)C1 ZINC000635900880 357228022 /nfs/dbraw/zinc/22/80/22/357228022.db2.gz YOLDYDSPPXVUOH-ZIAGYGMSSA-N 2 2 280.416 -0.166 20 0 CBADLP C[N@H+]1CC[C@H](CC(=O)NC[C@@H]2CN3CC[NH+]2CCC3)C1 ZINC000635900880 357228025 /nfs/dbraw/zinc/22/80/25/357228025.db2.gz YOLDYDSPPXVUOH-ZIAGYGMSSA-N 2 2 280.416 -0.166 20 0 CBADLP C[NH+]1CC[C@H](CC(=O)NC[C@@H]2CN3CC[N@@H+]2CCC3)C1 ZINC000635900880 357228027 /nfs/dbraw/zinc/22/80/27/357228027.db2.gz YOLDYDSPPXVUOH-ZIAGYGMSSA-N 2 2 280.416 -0.166 20 0 CBADLP C[NH+]1CC[C@H](CC(=O)NC[C@@H]2CN3CC[N@H+]2CCC3)C1 ZINC000635900880 357228031 /nfs/dbraw/zinc/22/80/31/357228031.db2.gz YOLDYDSPPXVUOH-ZIAGYGMSSA-N 2 2 280.416 -0.166 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000636558553 357289666 /nfs/dbraw/zinc/28/96/66/357289666.db2.gz WHYOMIFOMUHZDS-NWDGAFQWSA-N 2 2 293.371 -0.172 20 0 CBADLP COCC[N@H+](C)CCNC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000636708541 357298084 /nfs/dbraw/zinc/29/80/84/357298084.db2.gz SXQADGQTKNFBHB-LLVKDONJSA-N 2 2 281.360 -0.315 20 0 CBADLP COCC[N@@H+](C)CCNC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000636708541 357298090 /nfs/dbraw/zinc/29/80/90/357298090.db2.gz SXQADGQTKNFBHB-LLVKDONJSA-N 2 2 281.360 -0.315 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636752382 357300345 /nfs/dbraw/zinc/30/03/45/357300345.db2.gz RDQMYOJSXPJLEA-NEPJUHHUSA-N 2 2 293.371 -0.172 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636752382 357300348 /nfs/dbraw/zinc/30/03/48/357300348.db2.gz RDQMYOJSXPJLEA-NEPJUHHUSA-N 2 2 293.371 -0.172 20 0 CBADLP C[C@@H]1C[N@H+](CCO)CCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC000636012127 357250445 /nfs/dbraw/zinc/25/04/45/357250445.db2.gz RWWINOQSKCNLIF-OLZOCXBDSA-N 2 2 269.389 -0.004 20 0 CBADLP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC000636012127 357250446 /nfs/dbraw/zinc/25/04/46/357250446.db2.gz RWWINOQSKCNLIF-OLZOCXBDSA-N 2 2 269.389 -0.004 20 0 CBADLP C[C@@H]1C[NH+](CCO)CCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000636012127 357250449 /nfs/dbraw/zinc/25/04/49/357250449.db2.gz RWWINOQSKCNLIF-OLZOCXBDSA-N 2 2 269.389 -0.004 20 0 CBADLP C[C@@H]1C[NH+](CCO)CCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC000636012127 357250453 /nfs/dbraw/zinc/25/04/53/357250453.db2.gz RWWINOQSKCNLIF-OLZOCXBDSA-N 2 2 269.389 -0.004 20 0 CBADLP C[C@H]1C[N@H+](CCO)CCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC000636012128 357251047 /nfs/dbraw/zinc/25/10/47/357251047.db2.gz RWWINOQSKCNLIF-STQMWFEESA-N 2 2 269.389 -0.004 20 0 CBADLP C[C@H]1C[N@@H+](CCO)CCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC000636012128 357251051 /nfs/dbraw/zinc/25/10/51/357251051.db2.gz RWWINOQSKCNLIF-STQMWFEESA-N 2 2 269.389 -0.004 20 0 CBADLP C[C@H]1C[NH+](CCO)CCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000636012128 357251054 /nfs/dbraw/zinc/25/10/54/357251054.db2.gz RWWINOQSKCNLIF-STQMWFEESA-N 2 2 269.389 -0.004 20 0 CBADLP C[C@H]1C[NH+](CCO)CCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC000636012128 357251057 /nfs/dbraw/zinc/25/10/57/357251057.db2.gz RWWINOQSKCNLIF-STQMWFEESA-N 2 2 269.389 -0.004 20 0 CBADLP COCC(COC)[NH+]1CCN(C(=O)[C@@H](C)[NH+](C)C)CC1 ZINC000636022916 357252997 /nfs/dbraw/zinc/25/29/97/357252997.db2.gz SUJLHRAZRLNDBZ-GFCCVEGCSA-N 2 2 287.404 -0.258 20 0 CBADLP C[C@H](C(=O)N1C[C@H](C)[N@H+](CCO)C[C@@H]1C)[NH+](C)C ZINC000636035985 357255445 /nfs/dbraw/zinc/25/54/45/357255445.db2.gz WLMLKSDHZMAMKA-SDDRHHMPSA-N 2 2 257.378 -0.150 20 0 CBADLP C[C@H](C(=O)N1C[C@H](C)[N@@H+](CCO)C[C@@H]1C)[NH+](C)C ZINC000636035985 357255446 /nfs/dbraw/zinc/25/54/46/357255446.db2.gz WLMLKSDHZMAMKA-SDDRHHMPSA-N 2 2 257.378 -0.150 20 0 CBADLP C[C@H](C(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C)[NH+](C)C ZINC000636252698 357274836 /nfs/dbraw/zinc/27/48/36/357274836.db2.gz DFPWMVXBLKPZNN-DOMZBBRYSA-N 2 2 299.415 -0.332 20 0 CBADLP C[C@H](C(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C)[NH+](C)C ZINC000636252698 357274838 /nfs/dbraw/zinc/27/48/38/357274838.db2.gz DFPWMVXBLKPZNN-DOMZBBRYSA-N 2 2 299.415 -0.332 20 0 CBADLP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2COCC[NH+]2C)C1 ZINC000636278938 357275940 /nfs/dbraw/zinc/27/59/40/357275940.db2.gz CHVQUOZPLQDEQI-NWDGAFQWSA-N 2 2 255.362 -0.225 20 0 CBADLP C[N@H+]1CC[C@@H](CC(=O)NC[C@@H]2COCC[NH+]2C)C1 ZINC000636278938 357275941 /nfs/dbraw/zinc/27/59/41/357275941.db2.gz CHVQUOZPLQDEQI-NWDGAFQWSA-N 2 2 255.362 -0.225 20 0 CBADLP C[NH+]1CC[C@@H](CC(=O)NC[C@@H]2COCC[N@@H+]2C)C1 ZINC000636278938 357275942 /nfs/dbraw/zinc/27/59/42/357275942.db2.gz CHVQUOZPLQDEQI-NWDGAFQWSA-N 2 2 255.362 -0.225 20 0 CBADLP C[NH+]1CC[C@@H](CC(=O)NC[C@@H]2COCC[N@H+]2C)C1 ZINC000636278938 357275943 /nfs/dbraw/zinc/27/59/43/357275943.db2.gz CHVQUOZPLQDEQI-NWDGAFQWSA-N 2 2 255.362 -0.225 20 0 CBADLP CCc1c[nH]c(CC(=O)NCCN2CC[NH2+]CC2)[nH+]1 ZINC000637812120 357369580 /nfs/dbraw/zinc/36/95/80/357369580.db2.gz WVIXOJJHJAASPD-UHFFFAOYSA-N 2 2 265.361 -0.464 20 0 CBADLP CN(CCN1CC[NH2+]CC1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000637835624 357373528 /nfs/dbraw/zinc/37/35/28/357373528.db2.gz OQZJPXOUCLOYNV-VXGBXAGGSA-N 2 2 277.372 -0.123 20 0 CBADLP CN(CCN1CC[NH2+]CC1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000637835624 357373533 /nfs/dbraw/zinc/37/35/33/357373533.db2.gz OQZJPXOUCLOYNV-VXGBXAGGSA-N 2 2 277.372 -0.123 20 0 CBADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CCN(C)C[C@@H]1C[NH3+])CC2 ZINC000637864088 357378268 /nfs/dbraw/zinc/37/82/68/357378268.db2.gz LSNOCTCDHLUNCJ-OLZOCXBDSA-N 2 2 291.399 -0.145 20 0 CBADLP C[C@H](NC(=O)N[C@@H]1Cc2c[nH+]cn2C1)[C@H]1C[N@@H+](C)CCO1 ZINC000636950679 357313298 /nfs/dbraw/zinc/31/32/98/357313298.db2.gz YVEQISFRIYJEFR-DMDPSCGWSA-N 2 2 293.371 -0.174 20 0 CBADLP C[C@H](NC(=O)N[C@H]1Cc2c[nH+]cn2C1)[C@H]1C[N@@H+](C)CCO1 ZINC000636950680 357313928 /nfs/dbraw/zinc/31/39/28/357313928.db2.gz YVEQISFRIYJEFR-GMXVVIOVSA-N 2 2 293.371 -0.174 20 0 CBADLP O=C(NCC[N@H+]1CC[C@H](O)C1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000637157300 357326896 /nfs/dbraw/zinc/32/68/96/357326896.db2.gz SNPIRDBTCNZAHV-MNOVXSKESA-N 2 2 293.371 -0.367 20 0 CBADLP O=C(NCC[N@@H+]1CC[C@H](O)C1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000637157300 357326899 /nfs/dbraw/zinc/32/68/99/357326899.db2.gz SNPIRDBTCNZAHV-MNOVXSKESA-N 2 2 293.371 -0.367 20 0 CBADLP Cn1c[nH+]c(CCNC(=O)NCC[N@@H+]2CC[C@@H](O)C2)c1 ZINC000637210503 357331965 /nfs/dbraw/zinc/33/19/65/357331965.db2.gz FHHNWPZRFHKZCV-GFCCVEGCSA-N 2 2 281.360 -0.672 20 0 CBADLP Cn1c[nH+]c(CCNC(=O)NCC[N@H+]2CC[C@@H](O)C2)c1 ZINC000637210503 357331968 /nfs/dbraw/zinc/33/19/68/357331968.db2.gz FHHNWPZRFHKZCV-GFCCVEGCSA-N 2 2 281.360 -0.672 20 0 CBADLP C[C@H](C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+])N1CC[NH2+]CC1=O ZINC000637845613 357376337 /nfs/dbraw/zinc/37/63/37/357376337.db2.gz BFFNIXQTQJIDFQ-UTUOFQBUSA-N 2 2 282.388 -0.608 20 0 CBADLP C[C@@H](C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+])N1CC[NH2+]CC1=O ZINC000637845611 357376347 /nfs/dbraw/zinc/37/63/47/357376347.db2.gz BFFNIXQTQJIDFQ-GRYCIOLGSA-N 2 2 282.388 -0.608 20 0 CBADLP C[C@@H](CCNC(=O)NC[C@H]1COCC[N@@H+]1C)[NH+](C)C ZINC000637440596 357347812 /nfs/dbraw/zinc/34/78/12/357347812.db2.gz NXLDKCLTIUYIRC-RYUDHWBXSA-N 2 2 272.393 -0.044 20 0 CBADLP C[C@@H](CCNC(=O)NC[C@H]1COCC[N@H+]1C)[NH+](C)C ZINC000637440596 357347813 /nfs/dbraw/zinc/34/78/13/357347813.db2.gz NXLDKCLTIUYIRC-RYUDHWBXSA-N 2 2 272.393 -0.044 20 0 CBADLP C[NH+](C)CC(C)(C)NC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000637441398 357348460 /nfs/dbraw/zinc/34/84/60/357348460.db2.gz LPTAZHPDTSLMGE-LLVKDONJSA-N 2 2 272.393 -0.044 20 0 CBADLP C[NH+](C)CC(C)(C)NC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000637441398 357348464 /nfs/dbraw/zinc/34/84/64/357348464.db2.gz LPTAZHPDTSLMGE-LLVKDONJSA-N 2 2 272.393 -0.044 20 0 CBADLP C[NH+](C)C[C@@H]1CCN(C(=O)NC[C@H]2COCC[N@@H+]2C)C1 ZINC000637441320 357348768 /nfs/dbraw/zinc/34/87/68/357348768.db2.gz ATHSTOSCRVVJTM-STQMWFEESA-N 2 2 284.404 -0.090 20 0 CBADLP C[NH+](C)C[C@@H]1CCN(C(=O)NC[C@H]2COCC[N@H+]2C)C1 ZINC000637441320 357348772 /nfs/dbraw/zinc/34/87/72/357348772.db2.gz ATHSTOSCRVVJTM-STQMWFEESA-N 2 2 284.404 -0.090 20 0 CBADLP CCn1cc(CC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cn1 ZINC000637863693 357378537 /nfs/dbraw/zinc/37/85/37/357378537.db2.gz GWEPIEYAIFFYLT-GFCCVEGCSA-N 2 2 265.361 -0.453 20 0 CBADLP CCn1cc(CC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cn1 ZINC000637863693 357378542 /nfs/dbraw/zinc/37/85/42/357378542.db2.gz GWEPIEYAIFFYLT-GFCCVEGCSA-N 2 2 265.361 -0.453 20 0 CBADLP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000637862674 357378415 /nfs/dbraw/zinc/37/84/15/357378415.db2.gz SGVQJSCHMXQNRL-VXGBXAGGSA-N 2 2 284.404 -0.362 20 0 CBADLP C[C@H](C(=O)N1CC[NH2+]CC1(C)C)N1CC[NH2+]CC1=O ZINC000637858012 357377326 /nfs/dbraw/zinc/37/73/26/357377326.db2.gz WIKZSSQSLLSJCS-SNVBAGLBSA-N 2 2 268.361 -0.983 20 0 CBADLP Nc1nc(N)c(CN2CC[N@@H+]3CCCC[C@H]3C2)c[nH+]1 ZINC000637982810 357395378 /nfs/dbraw/zinc/39/53/78/357395378.db2.gz XPIGRBHNXPTOAN-NSHDSACASA-N 2 2 262.361 -0.028 20 0 CBADLP Nc1nc(N)c(CN2CC[N@H+]3CCCC[C@H]3C2)c[nH+]1 ZINC000637982810 357395381 /nfs/dbraw/zinc/39/53/81/357395381.db2.gz XPIGRBHNXPTOAN-NSHDSACASA-N 2 2 262.361 -0.028 20 0 CBADLP CC[NH+](CC)CCNC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638045958 357404843 /nfs/dbraw/zinc/40/48/43/357404843.db2.gz CNOWIRNRUWMXPS-NSHDSACASA-N 2 2 270.377 -0.735 20 0 CBADLP CCOCC[N@@H+]1CCN(Cc2c[nH+]c(N)nc2N)C[C@@H]1C ZINC000638045479 357405044 /nfs/dbraw/zinc/40/50/44/357405044.db2.gz YTXKJAYBKSKPFL-NSHDSACASA-N 2 2 294.403 -0.156 20 0 CBADLP CCOCC[N@H+]1CCN(Cc2c[nH+]c(N)nc2N)C[C@@H]1C ZINC000638045479 357405050 /nfs/dbraw/zinc/40/50/50/357405050.db2.gz YTXKJAYBKSKPFL-NSHDSACASA-N 2 2 294.403 -0.156 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@]2(C)C[C@@H](OC)C[NH2+]2)CC1 ZINC000638045855 357405087 /nfs/dbraw/zinc/40/50/87/357405087.db2.gz ANXVFTVGIVIXTR-DGCLKSJQSA-N 2 2 255.362 -0.083 20 0 CBADLP CC[NH+](CC)CCCNC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638047319 357405419 /nfs/dbraw/zinc/40/54/19/357405419.db2.gz DWJSTUSHFAKWQI-GFCCVEGCSA-N 2 2 284.404 -0.345 20 0 CBADLP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000638047299 357405475 /nfs/dbraw/zinc/40/54/75/357405475.db2.gz DUJOFBJHUOMPAZ-YPMHNXCESA-N 2 2 276.340 -0.154 20 0 CBADLP C[C@H](C(=O)NCC(C)(C)[NH+](C)C)N1CC[NH2+]CC1=O ZINC000638049721 357406430 /nfs/dbraw/zinc/40/64/30/357406430.db2.gz GZGSLGLQWDKPEL-SNVBAGLBSA-N 2 2 270.377 -0.737 20 0 CBADLP CN(C)C(=O)C[NH+]1CCN(C(=O)CCC2C[NH2+]C2)CC1 ZINC000638058605 357407510 /nfs/dbraw/zinc/40/75/10/357407510.db2.gz RUMKJHHZEGYPML-UHFFFAOYSA-N 2 2 282.388 -0.782 20 0 CBADLP CCOCC[NH+]1CCN(C(=O)[C@@]2(C)C[NH2+]CCO2)CC1 ZINC000638060586 357407852 /nfs/dbraw/zinc/40/78/52/357407852.db2.gz XVRZUUASTMKNSY-CQSZACIVSA-N 2 2 285.388 -0.454 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638069771 357409844 /nfs/dbraw/zinc/40/98/44/357409844.db2.gz MNIISGCXMKZGNX-AAEUAGOBSA-N 2 2 271.361 -0.798 20 0 CBADLP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638070836 357409998 /nfs/dbraw/zinc/40/99/98/357409998.db2.gz BUKJXUWGQIAJQB-STQMWFEESA-N 2 2 298.431 -0.101 20 0 CBADLP C[C@@H](C(=O)N1CC[NH+](CC2CC2)CC1)N1CC[NH2+]CC1=O ZINC000638072402 357410466 /nfs/dbraw/zinc/41/04/66/357410466.db2.gz RLJLUZDMGGBYTM-LBPRGKRZSA-N 2 2 294.399 -0.639 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638073581 357411017 /nfs/dbraw/zinc/41/10/17/357411017.db2.gz NRXWEAICTRSFDS-QWRGUYRKSA-N 2 2 279.344 -0.792 20 0 CBADLP C[NH+](C)C[C@H]1CCN(Cc2c[nH+]c(N)nc2N)C1 ZINC000638077462 357412824 /nfs/dbraw/zinc/41/28/24/357412824.db2.gz TXCSTIFTQRRNTD-SECBINFHSA-N 2 2 250.350 -0.315 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@]2(C[NH3+])CCCOC2)CCO1 ZINC000638091020 357414365 /nfs/dbraw/zinc/41/43/65/357414365.db2.gz NXMOWGBSZNBGIZ-TZMCWYRMSA-N 2 2 285.388 -0.421 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@]2(C[NH3+])CCCOC2)CCO1 ZINC000638091020 357414370 /nfs/dbraw/zinc/41/43/70/357414370.db2.gz NXMOWGBSZNBGIZ-TZMCWYRMSA-N 2 2 285.388 -0.421 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)[C@@]2(C[NH3+])CCCOC2)CCO1 ZINC000638091017 357414488 /nfs/dbraw/zinc/41/44/88/357414488.db2.gz NXMOWGBSZNBGIZ-GXTWGEPZSA-N 2 2 285.388 -0.421 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)[C@@]2(C[NH3+])CCCOC2)CCO1 ZINC000638091017 357414490 /nfs/dbraw/zinc/41/44/90/357414490.db2.gz NXMOWGBSZNBGIZ-GXTWGEPZSA-N 2 2 285.388 -0.421 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@]2(C)C[NH2+]CCO2)CCO1 ZINC000638091277 357414612 /nfs/dbraw/zinc/41/46/12/357414612.db2.gz STYLECRVEGABNN-DGCLKSJQSA-N 2 2 271.361 -0.798 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@]2(C)C[NH2+]CCO2)CCO1 ZINC000638091277 357414615 /nfs/dbraw/zinc/41/46/15/357414615.db2.gz STYLECRVEGABNN-DGCLKSJQSA-N 2 2 271.361 -0.798 20 0 CBADLP C[C@H](C(=O)N1CC[C@H]([NH+]2CCCC2)C1)N1CC[NH2+]CC1=O ZINC000638093543 357415776 /nfs/dbraw/zinc/41/57/76/357415776.db2.gz FFDBINFRRDGSTL-OLZOCXBDSA-N 2 2 294.399 -0.497 20 0 CBADLP C[C@H](NC(=O)[C@]1(C)C[NH2+]CCO1)[C@H](C)[NH+]1CCOCC1 ZINC000638098283 357416141 /nfs/dbraw/zinc/41/61/41/357416141.db2.gz AKVHTSNEVBQUMH-OBJOEFQTSA-N 2 2 285.388 -0.410 20 0 CBADLP CO[C@H]1C[NH2+][C@](C)(C(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000638100383 357417441 /nfs/dbraw/zinc/41/74/41/357417441.db2.gz YYYDIDWIBLYUPE-DOMZBBRYSA-N 2 2 299.415 -0.020 20 0 CBADLP CO[C@H]1C[NH2+][C@](C)(C(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000638100383 357417444 /nfs/dbraw/zinc/41/74/44/357417444.db2.gz YYYDIDWIBLYUPE-DOMZBBRYSA-N 2 2 299.415 -0.020 20 0 CBADLP C[C@@H](NC(=O)CN1CC[NH2+]CC1)[C@H](C)[NH+]1CCOCC1 ZINC000638102132 357418418 /nfs/dbraw/zinc/41/84/18/357418418.db2.gz RZUHQFDUIFEGBW-OLZOCXBDSA-N 2 2 284.404 -0.883 20 0 CBADLP Nc1nc(N)c(CN2CC[NH+](C3CCOCC3)CC2)c[nH+]1 ZINC000638109382 357419505 /nfs/dbraw/zinc/41/95/05/357419505.db2.gz UQRRORNSNBEVGH-UHFFFAOYSA-N 2 2 292.387 -0.402 20 0 CBADLP Cc1[nH+]c[nH]c1CNC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638129724 357423347 /nfs/dbraw/zinc/42/33/47/357423347.db2.gz BSWQVSRPFGAAQC-SECBINFHSA-N 2 2 265.317 -0.845 20 0 CBADLP CCN1CC[NH+](CCCNC(=O)[C@@]2(C)C[NH2+]CCO2)CC1 ZINC000638137725 357423986 /nfs/dbraw/zinc/42/39/86/357423986.db2.gz MQJOMDUUVSGTJO-OAHLLOKOSA-N 2 2 298.431 -0.491 20 0 CBADLP C[C@@H](C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C)N1CC[NH2+]CC1=O ZINC000638133988 357424208 /nfs/dbraw/zinc/42/42/08/357424208.db2.gz KBBKMSIHIGDMOC-MDZLAQPJSA-N 2 2 294.399 -0.594 20 0 CBADLP C[C@@H](C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C)N1CC[NH2+]CC1=O ZINC000638133988 357424213 /nfs/dbraw/zinc/42/42/13/357424213.db2.gz KBBKMSIHIGDMOC-MDZLAQPJSA-N 2 2 294.399 -0.594 20 0 CBADLP C[C@H](C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)N1CC[NH2+]CC1=O ZINC000638135697 357424331 /nfs/dbraw/zinc/42/43/31/357424331.db2.gz WAPWJKYNJWPESX-IJLUTSLNSA-N 2 2 294.399 -0.452 20 0 CBADLP C[C@H](C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)N1CC[NH2+]CC1=O ZINC000638135697 357424333 /nfs/dbraw/zinc/42/43/33/357424333.db2.gz WAPWJKYNJWPESX-IJLUTSLNSA-N 2 2 294.399 -0.452 20 0 CBADLP C[C@H](C(=O)N1C[C@H](C[NH3+])C[C@H]1C)N1CC[NH2+]CC1=O ZINC000638149711 357425916 /nfs/dbraw/zinc/42/59/16/357425916.db2.gz SWLKLVBQMZVUSN-MXWKQRLJSA-N 2 2 268.361 -0.998 20 0 CBADLP C[C@@H](C(=O)N1C[C@@H](C[NH3+])C[C@H]1C)N1CC[NH2+]CC1=O ZINC000638149712 357426149 /nfs/dbraw/zinc/42/61/49/357426149.db2.gz SWLKLVBQMZVUSN-OUAUKWLOSA-N 2 2 268.361 -0.998 20 0 CBADLP C[C@@H](C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[NH2+]CC1=O ZINC000638146177 357426557 /nfs/dbraw/zinc/42/65/57/357426557.db2.gz PQXUDFANUSELCG-ACJTYDJDSA-N 2 2 294.399 -0.452 20 0 CBADLP COCC[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000638154328 357427061 /nfs/dbraw/zinc/42/70/61/357427061.db2.gz TYZGTYZVAACYHJ-NXEZZACHSA-N 2 2 252.318 -0.135 20 0 CBADLP COCC[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000638154328 357427065 /nfs/dbraw/zinc/42/70/65/357427065.db2.gz TYZGTYZVAACYHJ-NXEZZACHSA-N 2 2 252.318 -0.135 20 0 CBADLP C[C@H](C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C)N1CC[NH2+]CC1=O ZINC000638158333 357428264 /nfs/dbraw/zinc/42/82/64/357428264.db2.gz PIKJZNMWIAQGGL-GMTAPVOTSA-N 2 2 268.361 -0.985 20 0 CBADLP C[C@H](C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1)N1CC[NH2+]CC1=O ZINC000638170047 357429949 /nfs/dbraw/zinc/42/99/49/357429949.db2.gz ZMGLUMXZSURFDD-WRWGMCAJSA-N 2 2 280.372 -0.998 20 0 CBADLP C[C@H](C(=O)N1CC[C@]2(CC[NH2+]C2)C1)N1CC[NH2+]CC1=O ZINC000638168684 357430524 /nfs/dbraw/zinc/43/05/24/357430524.db2.gz OBPSYEBGOOTQOK-RISCZKNCSA-N 2 2 280.372 -0.981 20 0 CBADLP C[C@@H](C(=O)Nc1ccc(C[NH3+])cc1)N1CC[NH2+]CC1=O ZINC000638174622 357431996 /nfs/dbraw/zinc/43/19/96/357431996.db2.gz RGGKYODWADOIOA-JTQLQIEISA-N 2 2 276.340 -0.096 20 0 CBADLP C[C@H](C(=O)N[C@@H]1CCC[NH2+]CC1)N1CC[NH2+]CC1=O ZINC000638195595 357433351 /nfs/dbraw/zinc/43/33/51/357433351.db2.gz OTUOJMRQXBJJQY-GHMZBOCLSA-N 2 2 268.361 -0.935 20 0 CBADLP C[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)N1CC[NH2+]CC1=O ZINC000638198089 357434096 /nfs/dbraw/zinc/43/40/96/357434096.db2.gz SUCUEZJJPONZSB-SDDRHHMPSA-N 2 2 280.372 -0.840 20 0 CBADLP CC[C@@H]1CN(C(=O)[C@H](C)N2CC[NH2+]CC2=O)CC[C@@H]1[NH3+] ZINC000638206879 357435361 /nfs/dbraw/zinc/43/53/61/357435361.db2.gz LULSPEMWKDQTNR-TUAOUCFPSA-N 2 2 282.388 -0.608 20 0 CBADLP C[C@@H](C(=O)N1CCC[C@H](CC[NH3+])C1)N1CC[NH2+]CC1=O ZINC000638216642 357436321 /nfs/dbraw/zinc/43/63/21/357436321.db2.gz JUYQESGTWQCMIF-NWDGAFQWSA-N 2 2 282.388 -0.606 20 0 CBADLP Cc1cc(C[NH3+])oc1C(=O)N1CC[NH+](CCO)CC1 ZINC000638227026 357437821 /nfs/dbraw/zinc/43/78/21/357437821.db2.gz LZENIZZZKZTPMR-UHFFFAOYSA-N 2 2 267.329 -0.203 20 0 CBADLP C[C@H](C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)N1CC[NH2+]CC1=O ZINC000638249171 357443737 /nfs/dbraw/zinc/44/37/37/357443737.db2.gz OOUZGACKHQXHPS-UPJWGTAASA-N 2 2 294.399 -0.735 20 0 CBADLP C[N@@H+]1CCN(C(=O)Cn2cc(Cl)cn2)[C@H](C[NH3+])C1 ZINC000637864774 357379523 /nfs/dbraw/zinc/37/95/23/357379523.db2.gz XPUOHPNQQGKYGO-SNVBAGLBSA-N 2 2 271.752 -0.362 20 0 CBADLP C[N@H+]1CCN(C(=O)Cn2cc(Cl)cn2)[C@H](C[NH3+])C1 ZINC000637864774 357379524 /nfs/dbraw/zinc/37/95/24/357379524.db2.gz XPUOHPNQQGKYGO-SNVBAGLBSA-N 2 2 271.752 -0.362 20 0 CBADLP C[NH2+]CCOCCNC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000638577693 357497129 /nfs/dbraw/zinc/49/71/29/357497129.db2.gz DDUJQBKTSXSHLW-UHFFFAOYSA-N 2 2 290.327 -0.372 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CC[NH2+]CC1(F)F ZINC000638608938 357501130 /nfs/dbraw/zinc/50/11/30/357501130.db2.gz DBOHFTOPLJDVNF-ZJUUUORDSA-N 2 2 277.315 -0.322 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CC[NH2+]CC1(F)F ZINC000638608938 357501134 /nfs/dbraw/zinc/50/11/34/357501134.db2.gz DBOHFTOPLJDVNF-ZJUUUORDSA-N 2 2 277.315 -0.322 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000638609216 357501637 /nfs/dbraw/zinc/50/16/37/357501637.db2.gz FPRLSLWKLWAKSX-UWVGGRQHSA-N 2 2 277.315 -0.322 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000638609216 357501640 /nfs/dbraw/zinc/50/16/40/357501640.db2.gz FPRLSLWKLWAKSX-UWVGGRQHSA-N 2 2 277.315 -0.322 20 0 CBADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000638609650 357502725 /nfs/dbraw/zinc/50/27/25/357502725.db2.gz GJLBVCXBFOWLSP-UTUOFQBUSA-N 2 2 255.362 -0.179 20 0 CBADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000638609650 357502726 /nfs/dbraw/zinc/50/27/26/357502726.db2.gz GJLBVCXBFOWLSP-UTUOFQBUSA-N 2 2 255.362 -0.179 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000638611243 357502781 /nfs/dbraw/zinc/50/27/81/357502781.db2.gz NDWCDVUPPVWVCU-QJPTWQEYSA-N 2 2 255.362 -0.049 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000638611243 357502782 /nfs/dbraw/zinc/50/27/82/357502782.db2.gz NDWCDVUPPVWVCU-QJPTWQEYSA-N 2 2 255.362 -0.049 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000638609236 357502878 /nfs/dbraw/zinc/50/28/78/357502878.db2.gz FRHIBPUTQRREJA-WDEREUQCSA-N 2 2 293.371 -0.453 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000638609236 357502880 /nfs/dbraw/zinc/50/28/80/357502880.db2.gz FRHIBPUTQRREJA-WDEREUQCSA-N 2 2 293.371 -0.453 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)C1([NH3+])Cc2ccccc2C1 ZINC000638612288 357503412 /nfs/dbraw/zinc/50/34/12/357503412.db2.gz UEWJBTQIPZCKSA-CQSZACIVSA-N 2 2 289.379 -0.071 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)C1([NH3+])Cc2ccccc2C1 ZINC000638612288 357503414 /nfs/dbraw/zinc/50/34/14/357503414.db2.gz UEWJBTQIPZCKSA-CQSZACIVSA-N 2 2 289.379 -0.071 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000638612995 357505134 /nfs/dbraw/zinc/50/51/34/357505134.db2.gz ZKWXLSWHMLPAAO-VXGBXAGGSA-N 2 2 255.362 -0.177 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000638612995 357505136 /nfs/dbraw/zinc/50/51/36/357505136.db2.gz ZKWXLSWHMLPAAO-VXGBXAGGSA-N 2 2 255.362 -0.177 20 0 CBADLP C[C@H](C(=O)N[C@H](CC[NH3+])C(F)(F)F)N1CC[NH2+]CC1=O ZINC000638266591 357445937 /nfs/dbraw/zinc/44/59/37/357445937.db2.gz KXQGOIQYKTWHKC-HTQZYQBOSA-N 2 2 296.293 -0.797 20 0 CBADLP C[C@H](C(=O)N[C@@H]1CC[C@H](C[NH3+])C1)N1CC[NH2+]CC1=O ZINC000638267596 357446436 /nfs/dbraw/zinc/44/64/36/357446436.db2.gz HIHUPFAIOYJWPE-OUAUKWLOSA-N 2 2 268.361 -0.950 20 0 CBADLP CCN1CC[NH+](CCC(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000638618694 357508790 /nfs/dbraw/zinc/50/87/90/357508790.db2.gz OKFYEQLDJFLOTN-CYBMUJFWSA-N 2 2 284.404 -0.881 20 0 CBADLP C[C@H](C(=O)N1CCC[C@H]1C[NH+](C)C)N1CC[NH2+]CC1=O ZINC000638275284 357447889 /nfs/dbraw/zinc/44/78/89/357447889.db2.gz LTMKMWACCZOFBO-NEPJUHHUSA-N 2 2 282.388 -0.641 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638275774 357448022 /nfs/dbraw/zinc/44/80/22/357448022.db2.gz PGBWSWLBUMZXIP-GFCCVEGCSA-N 2 2 253.346 -0.176 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)CCC1C[NH2+]C1 ZINC000638275290 357448321 /nfs/dbraw/zinc/44/83/21/357448321.db2.gz LXHJNUKCWABSKF-UHFFFAOYSA-N 2 2 255.362 -0.223 20 0 CBADLP [NH3+][C@@H]1CCO[C@@H]1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000638290053 357451546 /nfs/dbraw/zinc/45/15/46/357451546.db2.gz PLBNZJTWSXOPPP-LOWVWBTDSA-N 2 2 276.340 -0.107 20 0 CBADLP C[C@H](C(=O)N1CCC[C@H]([NH+](C)C)CC1)N1CC[NH2+]CC1=O ZINC000638283740 357451711 /nfs/dbraw/zinc/45/17/11/357451711.db2.gz AZIGQUUULAMAHI-OLZOCXBDSA-N 2 2 296.415 -0.251 20 0 CBADLP O=C(CN1CC[NH2+]CC1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000638289249 357451858 /nfs/dbraw/zinc/45/18/58/357451858.db2.gz GKCDSSLSYCJFSV-CYBMUJFWSA-N 2 2 289.383 -0.318 20 0 CBADLP C[C@@H](C(=O)N[C@H](C[NH3+])C(C)(C)C)N1CC[NH2+]CC1=O ZINC000638332635 357458764 /nfs/dbraw/zinc/45/87/64/357458764.db2.gz JHALVRZJJGFXEL-VHSXEESVSA-N 2 2 270.377 -0.704 20 0 CBADLP Nc1ncc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c(N)n1 ZINC000638358308 357462580 /nfs/dbraw/zinc/46/25/80/357462580.db2.gz BRYMPWOTARXEAU-VIFPVBQESA-N 2 2 262.361 -0.124 20 0 CBADLP Nc1ncc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c(N)n1 ZINC000638358308 357462582 /nfs/dbraw/zinc/46/25/82/357462582.db2.gz BRYMPWOTARXEAU-VIFPVBQESA-N 2 2 262.361 -0.124 20 0 CBADLP C[C@H](C(=O)N[C@@H](C)C[C@H](C)[NH3+])N1CC[NH2+]CC1=O ZINC000638372446 357463195 /nfs/dbraw/zinc/46/31/95/357463195.db2.gz WPTALLYTQUUWBI-LPEHRKFASA-N 2 2 256.350 -0.951 20 0 CBADLP C[C@@H](C(=O)N[C@H]1CC[NH2+]C12CCCC2)N1CC[NH2+]CC1=O ZINC000638375908 357463686 /nfs/dbraw/zinc/46/36/86/357463686.db2.gz JNNOJMYHGSCASZ-RYUDHWBXSA-N 2 2 294.399 -0.402 20 0 CBADLP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638372442 357463694 /nfs/dbraw/zinc/46/36/94/357463694.db2.gz WPTALLYTQUUWBI-AEJSXWLSSA-N 2 2 256.350 -0.951 20 0 CBADLP C[C@H](C(=O)N[C@@H]1CC[NH2+]C12CCCC2)N1CC[NH2+]CC1=O ZINC000638375909 357463900 /nfs/dbraw/zinc/46/39/00/357463900.db2.gz JNNOJMYHGSCASZ-VXGBXAGGSA-N 2 2 294.399 -0.402 20 0 CBADLP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cnc(N)nc2N)C1 ZINC000638381044 357464824 /nfs/dbraw/zinc/46/48/24/357464824.db2.gz HYIUDCWALHNLIA-VIFPVBQESA-N 2 2 250.350 -0.267 20 0 CBADLP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cnc(N)nc2N)C1 ZINC000638381044 357464829 /nfs/dbraw/zinc/46/48/29/357464829.db2.gz HYIUDCWALHNLIA-VIFPVBQESA-N 2 2 250.350 -0.267 20 0 CBADLP CC[NH2+][C@@H](C)C(=O)N1CC[NH+](CCOCCOC)CC1 ZINC000638396697 357468022 /nfs/dbraw/zinc/46/80/22/357468022.db2.gz LTWZZQGUJCTDCE-ZDUSSCGKSA-N 2 2 287.404 -0.208 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2OCC[C@@H]2[NH3+])[C@H](C)CO1 ZINC000638405447 357469281 /nfs/dbraw/zinc/46/92/81/357469281.db2.gz CRWVXQFBYKKAEF-WISYIIOYSA-N 2 2 271.361 -0.672 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2OCC[C@@H]2[NH3+])[C@H](C)CO1 ZINC000638405447 357469284 /nfs/dbraw/zinc/46/92/84/357469284.db2.gz CRWVXQFBYKKAEF-WISYIIOYSA-N 2 2 271.361 -0.672 20 0 CBADLP C[C@H](C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1)N1CC[NH2+]CC1=O ZINC000638405462 357469562 /nfs/dbraw/zinc/46/95/62/357469562.db2.gz ZXZBULSFTBBASS-NEPJUHHUSA-N 2 2 296.415 -0.204 20 0 CBADLP C[C@H](C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1)N1CC[NH2+]CC1=O ZINC000638405462 357469565 /nfs/dbraw/zinc/46/95/65/357469565.db2.gz ZXZBULSFTBBASS-NEPJUHHUSA-N 2 2 296.415 -0.204 20 0 CBADLP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCC[N@@H+]2C[C@H](C)OC[C@H]2C)C1 ZINC000638405182 357469768 /nfs/dbraw/zinc/46/97/68/357469768.db2.gz AGRTZUISKLMGQX-OSFYFWSMSA-N 2 2 299.415 -0.021 20 0 CBADLP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCC[N@H+]2C[C@H](C)OC[C@H]2C)C1 ZINC000638405182 357469771 /nfs/dbraw/zinc/46/97/71/357469771.db2.gz AGRTZUISKLMGQX-OSFYFWSMSA-N 2 2 299.415 -0.021 20 0 CBADLP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000638414015 357471562 /nfs/dbraw/zinc/47/15/62/357471562.db2.gz KUQXOEJGZILYHY-YDHLFZDLSA-N 2 2 297.399 -0.314 20 0 CBADLP [NH3+]C[C@]1(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CCCOC1 ZINC000638413586 357471618 /nfs/dbraw/zinc/47/16/18/357471618.db2.gz AQJZOAPRPDNCME-DZGCQCFKSA-N 2 2 297.399 -0.325 20 0 CBADLP CCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)N2CC[NH2+]CC2=O)C1 ZINC000638424720 357473877 /nfs/dbraw/zinc/47/38/77/357473877.db2.gz IVFFOEARQJOJBU-NWDGAFQWSA-N 2 2 282.388 -0.593 20 0 CBADLP CCC[N@H+]1CC[C@@H](NC(=O)[C@H](C)N2CC[NH2+]CC2=O)C1 ZINC000638424720 357473879 /nfs/dbraw/zinc/47/38/79/357473879.db2.gz IVFFOEARQJOJBU-NWDGAFQWSA-N 2 2 282.388 -0.593 20 0 CBADLP O=C(CCC1C[NH2+]C1)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000638425162 357474313 /nfs/dbraw/zinc/47/43/13/357474313.db2.gz LKSNPMDTAOYLON-CYBMUJFWSA-N 2 2 266.389 -0.508 20 0 CBADLP O=C(CCC1C[NH2+]C1)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000638425162 357474318 /nfs/dbraw/zinc/47/43/18/357474318.db2.gz LKSNPMDTAOYLON-CYBMUJFWSA-N 2 2 266.389 -0.508 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CCCNC(=O)C2)CC1 ZINC000638440982 357477414 /nfs/dbraw/zinc/47/74/14/357477414.db2.gz YQRIHWWTQQYAAG-NSHDSACASA-N 2 2 268.361 -0.981 20 0 CBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C1([NH3+])CCCCC1 ZINC000638444905 357478781 /nfs/dbraw/zinc/47/87/81/357478781.db2.gz BXOKEKBCPMLZJU-CYBMUJFWSA-N 2 2 299.415 -0.201 20 0 CBADLP CC[NH2+][C@H](C)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000638446311 357478918 /nfs/dbraw/zinc/47/89/18/357478918.db2.gz NPGJSQCHPLSDKU-VXGBXAGGSA-N 2 2 273.377 -0.864 20 0 CBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1c[nH+]ccc1N ZINC000638445224 357479165 /nfs/dbraw/zinc/47/91/65/357479165.db2.gz FAQCJMUWGQCACZ-LLVKDONJSA-N 2 2 294.355 -0.741 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000638640557 357515139 /nfs/dbraw/zinc/51/51/39/357515139.db2.gz CHRXSEZORSBNAD-VXGBXAGGSA-N 2 2 284.404 -0.301 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000638640557 357515144 /nfs/dbraw/zinc/51/51/44/357515144.db2.gz CHRXSEZORSBNAD-VXGBXAGGSA-N 2 2 284.404 -0.301 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000638814695 357532964 /nfs/dbraw/zinc/53/29/64/357532964.db2.gz AKYMSNGLEFVKLE-NWDGAFQWSA-N 3 2 256.394 -0.005 20 0 CBADLP C[C@H](C(=O)N1C[C@@H]([NH3+])C[C@H]1C)[NH+]1CCN(C)CC1 ZINC000638929534 357544994 /nfs/dbraw/zinc/54/49/94/357544994.db2.gz BWYINRWIBRLVAQ-UTUOFQBUSA-N 2 2 254.378 -0.430 20 0 CBADLP CNC(=O)N1CC[NH+](CCc2c[nH+]cn2C)CC1 ZINC000639537163 357576634 /nfs/dbraw/zinc/57/66/34/357576634.db2.gz TVHXWLQKJOXTEH-UHFFFAOYSA-N 2 2 251.334 -0.080 20 0 CBADLP C[C@H](C[NH3+])C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000639003190 357549998 /nfs/dbraw/zinc/54/99/98/357549998.db2.gz FDIVMXARDGLECH-GFCCVEGCSA-N 2 2 277.372 -0.242 20 0 CBADLP C[C@H]1C[N@H+](C)[C@@H](C)CN1Cc1c[nH+]c(N)nc1N ZINC000639057576 357555962 /nfs/dbraw/zinc/55/59/62/357555962.db2.gz BTPPHFYRNHARMB-IUCAKERBSA-N 2 2 250.350 -0.174 20 0 CBADLP C[C@H]1C[N@@H+](C)[C@@H](C)CN1Cc1c[nH+]c(N)nc1N ZINC000639057576 357555966 /nfs/dbraw/zinc/55/59/66/357555966.db2.gz BTPPHFYRNHARMB-IUCAKERBSA-N 2 2 250.350 -0.174 20 0 CBADLP C[C@@H]1[C@H](C)[N@H+](C)CCN1Cc1c[nH+]c(N)nc1N ZINC000639058583 357556179 /nfs/dbraw/zinc/55/61/79/357556179.db2.gz QMCSPIPAWPOSSI-DTWKUNHWSA-N 2 2 250.350 -0.174 20 0 CBADLP C[C@@H]1[C@H](C)[N@@H+](C)CCN1Cc1c[nH+]c(N)nc1N ZINC000639058583 357556184 /nfs/dbraw/zinc/55/61/84/357556184.db2.gz QMCSPIPAWPOSSI-DTWKUNHWSA-N 2 2 250.350 -0.174 20 0 CBADLP C[NH+](C)CC1(NCc2c[nH+]c(N)nc2N)CCC1 ZINC000639134150 357557936 /nfs/dbraw/zinc/55/79/36/357557936.db2.gz GBUQSDPZBCSQKH-UHFFFAOYSA-N 2 2 250.350 -0.124 20 0 CBADLP C[N@@H+]1CC[C@H]2OCCN(Cc3c[nH+]c(N)nc3N)[C@H]2C1 ZINC000639151657 357559270 /nfs/dbraw/zinc/55/92/70/357559270.db2.gz NGYHZBRFEFNJMT-WDEREUQCSA-N 2 2 278.360 -0.793 20 0 CBADLP C[N@H+]1CC[C@H]2OCCN(Cc3c[nH+]c(N)nc3N)[C@H]2C1 ZINC000639151657 357559274 /nfs/dbraw/zinc/55/92/74/357559274.db2.gz NGYHZBRFEFNJMT-WDEREUQCSA-N 2 2 278.360 -0.793 20 0 CBADLP CC[C@@H]1C[N@@H+](C)CCN1Cc1c[nH+]c(N)nc1N ZINC000639211605 357561780 /nfs/dbraw/zinc/56/17/80/357561780.db2.gz PNZZLMCILAZPGW-SNVBAGLBSA-N 2 2 250.350 -0.172 20 0 CBADLP C[NH+](C)C[C@@]1(O)CCC[N@H+](CC(=O)N2CCCC2)C1 ZINC000639761722 357595653 /nfs/dbraw/zinc/59/56/53/357595653.db2.gz DJMPYGIMLQEVLK-AWEZNQCLSA-N 2 2 269.389 -0.003 20 0 CBADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CC(=O)N2CCCC2)C1 ZINC000639761722 357595658 /nfs/dbraw/zinc/59/56/58/357595658.db2.gz DJMPYGIMLQEVLK-AWEZNQCLSA-N 2 2 269.389 -0.003 20 0 CBADLP C[NH+](C)C[C@]1(O)CCC[N@H+](CCN2CCCC2=O)C1 ZINC000639764904 357595817 /nfs/dbraw/zinc/59/58/17/357595817.db2.gz XBIHNTKWYQRZQR-CQSZACIVSA-N 2 2 269.389 -0.003 20 0 CBADLP C[NH+](C)C[C@]1(O)CCC[N@@H+](CCN2CCCC2=O)C1 ZINC000639764904 357595822 /nfs/dbraw/zinc/59/58/22/357595822.db2.gz XBIHNTKWYQRZQR-CQSZACIVSA-N 2 2 269.389 -0.003 20 0 CBADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC000639763098 357596394 /nfs/dbraw/zinc/59/63/94/357596394.db2.gz VDJDGMLBUKQQAS-AAEUAGOBSA-N 2 2 255.362 -0.347 20 0 CBADLP C[NH+](C)C[C@@]1(O)CCC[N@H+]([C@H]2CCCNC2=O)C1 ZINC000639763098 357596395 /nfs/dbraw/zinc/59/63/95/357596395.db2.gz VDJDGMLBUKQQAS-AAEUAGOBSA-N 2 2 255.362 -0.347 20 0 CBADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC000639763105 357596452 /nfs/dbraw/zinc/59/64/52/357596452.db2.gz VDJDGMLBUKQQAS-YPMHNXCESA-N 2 2 255.362 -0.347 20 0 CBADLP C[NH+](C)C[C@@]1(O)CCC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC000639763105 357596453 /nfs/dbraw/zinc/59/64/53/357596453.db2.gz VDJDGMLBUKQQAS-YPMHNXCESA-N 2 2 255.362 -0.347 20 0 CBADLP CO[C@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)CCO1 ZINC000639836032 357601697 /nfs/dbraw/zinc/60/16/97/357601697.db2.gz FAYRCZZPMHYXOI-CYBMUJFWSA-N 2 2 271.361 -0.545 20 0 CBADLP CO[C@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)CCO1 ZINC000639836032 357601699 /nfs/dbraw/zinc/60/16/99/357601699.db2.gz FAYRCZZPMHYXOI-CYBMUJFWSA-N 2 2 271.361 -0.545 20 0 CBADLP C[N@H+](C[C@H](O)C[NH+]1C[C@@H](O)C[C@]1(C)CO)C1CC1 ZINC000639847379 357605322 /nfs/dbraw/zinc/60/53/22/357605322.db2.gz AVLXCLZJHVFCDT-RWMBFGLXSA-N 2 2 258.362 -0.741 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH+]1C[C@@H](O)C[C@]1(C)CO)C1CC1 ZINC000639847379 357605324 /nfs/dbraw/zinc/60/53/24/357605324.db2.gz AVLXCLZJHVFCDT-RWMBFGLXSA-N 2 2 258.362 -0.741 20 0 CBADLP C[NH+](C[C@H](O)C[N@@H+]1C[C@@H](O)C[C@]1(C)CO)C1CC1 ZINC000639847379 357605330 /nfs/dbraw/zinc/60/53/30/357605330.db2.gz AVLXCLZJHVFCDT-RWMBFGLXSA-N 2 2 258.362 -0.741 20 0 CBADLP C[NH+](C[C@H](O)C[N@H+]1C[C@@H](O)C[C@]1(C)CO)C1CC1 ZINC000639847379 357605332 /nfs/dbraw/zinc/60/53/32/357605332.db2.gz AVLXCLZJHVFCDT-RWMBFGLXSA-N 2 2 258.362 -0.741 20 0 CBADLP O[C@H]1C[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C[C@@H]1O ZINC000639891070 357616272 /nfs/dbraw/zinc/61/62/72/357616272.db2.gz WHMQKGVZQIBUQJ-HRCADAONSA-N 2 2 292.379 -0.339 20 0 CBADLP O[C@H]1C[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C[C@@H]1O ZINC000639891070 357616275 /nfs/dbraw/zinc/61/62/75/357616275.db2.gz WHMQKGVZQIBUQJ-HRCADAONSA-N 2 2 292.379 -0.339 20 0 CBADLP C[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)[C@H](CO)C1 ZINC000639935315 357617523 /nfs/dbraw/zinc/61/75/23/357617523.db2.gz FARIERAOQALMGI-OLZOCXBDSA-N 2 2 269.389 -0.147 20 0 CBADLP C[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)[C@H](CO)C1 ZINC000639935315 357617527 /nfs/dbraw/zinc/61/75/27/357617527.db2.gz FARIERAOQALMGI-OLZOCXBDSA-N 2 2 269.389 -0.147 20 0 CBADLP C[NH+](C)CCc1cn(CC[NH+]2CCOCC2)nn1 ZINC000641033305 357672700 /nfs/dbraw/zinc/67/27/00/357672700.db2.gz MNXCFJVOHXFPIX-UHFFFAOYSA-N 2 2 253.350 -0.286 20 0 CBADLP C[C@H](O)CCC[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640051489 357632173 /nfs/dbraw/zinc/63/21/73/357632173.db2.gz OCKUKRYQEAMNFK-LBPRGKRZSA-N 2 2 257.378 -0.147 20 0 CBADLP C[C@H](O)CCC[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640051489 357632178 /nfs/dbraw/zinc/63/21/78/357632178.db2.gz OCKUKRYQEAMNFK-LBPRGKRZSA-N 2 2 257.378 -0.147 20 0 CBADLP CC(C)[C@@H](O)C[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640051755 357632937 /nfs/dbraw/zinc/63/29/37/357632937.db2.gz YYGNNLPGMSBJNU-LBPRGKRZSA-N 2 2 257.378 -0.291 20 0 CBADLP CC(C)[C@@H](O)C[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640051755 357632941 /nfs/dbraw/zinc/63/29/41/357632941.db2.gz YYGNNLPGMSBJNU-LBPRGKRZSA-N 2 2 257.378 -0.291 20 0 CBADLP CN(CC(=O)N1CC[NH+](C)CC1)Cc1cn(C)c[nH+]1 ZINC000640051525 357633245 /nfs/dbraw/zinc/63/32/45/357633245.db2.gz PTAUNMKBTIADHT-UHFFFAOYSA-N 2 2 265.361 -0.374 20 0 CBADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H](O)CC1(O)CCC1 ZINC000640065257 357633530 /nfs/dbraw/zinc/63/35/30/357633530.db2.gz XYYHBKBMJALTRP-CYBMUJFWSA-N 2 2 299.415 -0.642 20 0 CBADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H](O)CC1(O)CCC1 ZINC000640065257 357633533 /nfs/dbraw/zinc/63/35/33/357633533.db2.gz XYYHBKBMJALTRP-CYBMUJFWSA-N 2 2 299.415 -0.642 20 0 CBADLP CC(C)N1CC[C@@H]([N@H+](C)CC(=O)N2CC[NH+](C)CC2)C1=O ZINC000640059675 357633838 /nfs/dbraw/zinc/63/38/38/357633838.db2.gz VYFIBMJERKSTAB-CYBMUJFWSA-N 2 2 296.415 -0.299 20 0 CBADLP CC(C)N1CC[C@@H]([N@@H+](C)CC(=O)N2CC[NH+](C)CC2)C1=O ZINC000640059675 357633842 /nfs/dbraw/zinc/63/38/42/357633842.db2.gz VYFIBMJERKSTAB-CYBMUJFWSA-N 2 2 296.415 -0.299 20 0 CBADLP COC[C@H](C[N@H+](C)CC(=O)N1CC[NH+](C)CC1)OC ZINC000640061954 357633922 /nfs/dbraw/zinc/63/39/22/357633922.db2.gz OIFGMMWPEZPOHM-LBPRGKRZSA-N 2 2 273.377 -0.646 20 0 CBADLP COC[C@H](C[N@@H+](C)CC(=O)N1CC[NH+](C)CC1)OC ZINC000640061954 357633926 /nfs/dbraw/zinc/63/39/26/357633926.db2.gz OIFGMMWPEZPOHM-LBPRGKRZSA-N 2 2 273.377 -0.646 20 0 CBADLP CNC(=O)NC[C@@H]1COCC[N@@H+]1CCn1cc[nH+]c1C ZINC000640105426 357636585 /nfs/dbraw/zinc/63/65/85/357636585.db2.gz VLALTXHVCQEPSL-GFCCVEGCSA-N 2 2 281.360 -0.179 20 0 CBADLP CNC(=O)NC[C@@H]1COCC[N@H+]1CCn1cc[nH+]c1C ZINC000640105426 357636586 /nfs/dbraw/zinc/63/65/86/357636586.db2.gz VLALTXHVCQEPSL-GFCCVEGCSA-N 2 2 281.360 -0.179 20 0 CBADLP CC[N@H+](C)C[C@H](O)Cn1cc(CC[NH+]2CCOCC2)nn1 ZINC000641221469 357681849 /nfs/dbraw/zinc/68/18/49/357681849.db2.gz HDXRFNHYFXEINC-AWEZNQCLSA-N 2 2 297.403 -0.535 20 0 CBADLP CC[N@@H+](C)C[C@H](O)Cn1cc(CC[NH+]2CCOCC2)nn1 ZINC000641221469 357681850 /nfs/dbraw/zinc/68/18/50/357681850.db2.gz HDXRFNHYFXEINC-AWEZNQCLSA-N 2 2 297.403 -0.535 20 0 CBADLP C[NH+](C)C1CN(S(=O)(=O)CCn2cc[nH+]c2)C1 ZINC000641408560 357701966 /nfs/dbraw/zinc/70/19/66/357701966.db2.gz LDVCEOIBNJAEFF-UHFFFAOYSA-N 2 2 258.347 -0.541 20 0 CBADLP OC[C@@]1(CNc2cc(-n3cc[nH+]c3)ncn2)COCC[NH2+]1 ZINC000641687889 357737380 /nfs/dbraw/zinc/73/73/80/357737380.db2.gz DNMYKVDSJVBACX-ZDUSSCGKSA-N 2 2 290.327 -0.575 20 0 CBADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](CCc2cn[nH]c2)C1 ZINC000641799594 357742542 /nfs/dbraw/zinc/74/25/42/357742542.db2.gz YEBMCMQIYMMSCV-CYBMUJFWSA-N 2 2 277.372 -0.152 20 0 CBADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](CCc2cn[nH]c2)C1 ZINC000641799594 357742547 /nfs/dbraw/zinc/74/25/47/357742547.db2.gz YEBMCMQIYMMSCV-CYBMUJFWSA-N 2 2 277.372 -0.152 20 0 CBADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000641797417 357742983 /nfs/dbraw/zinc/74/29/83/357742983.db2.gz CBFWWPCLQJYDCX-AWEZNQCLSA-N 3 2 291.399 -0.141 20 0 CBADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000641797417 357742990 /nfs/dbraw/zinc/74/29/90/357742990.db2.gz CBFWWPCLQJYDCX-AWEZNQCLSA-N 3 2 291.399 -0.141 20 0 CBADLP Cn1cncc1CC[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000641797417 357742993 /nfs/dbraw/zinc/74/29/93/357742993.db2.gz CBFWWPCLQJYDCX-AWEZNQCLSA-N 2 2 291.399 -0.141 20 0 CBADLP Cn1cncc1CC[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000641797417 357742998 /nfs/dbraw/zinc/74/29/98/357742998.db2.gz CBFWWPCLQJYDCX-AWEZNQCLSA-N 2 2 291.399 -0.141 20 0 CBADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](CCN2C(=O)CNC2=O)[C@@H]1C ZINC000641804056 357744176 /nfs/dbraw/zinc/74/41/76/357744176.db2.gz AGBVMNASGVRPTB-GMTAPVOTSA-N 2 2 268.361 -0.014 20 0 CBADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](CCN2C(=O)CNC2=O)[C@@H]1C ZINC000641804056 357744180 /nfs/dbraw/zinc/74/41/80/357744180.db2.gz AGBVMNASGVRPTB-GMTAPVOTSA-N 2 2 268.361 -0.014 20 0 CBADLP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000641825053 357746548 /nfs/dbraw/zinc/74/65/48/357746548.db2.gz PXSUTUACIADCAU-NSHDSACASA-N 2 2 282.388 -0.641 20 0 CBADLP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000641825053 357746552 /nfs/dbraw/zinc/74/65/52/357746552.db2.gz PXSUTUACIADCAU-NSHDSACASA-N 2 2 282.388 -0.641 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@H]3CC[NH2+][C@H]3C2)CC1 ZINC000643065047 357776819 /nfs/dbraw/zinc/77/68/19/357776819.db2.gz QWIUTAQJNSZWDK-KGLIPLIRSA-N 3 2 280.416 -0.166 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@H]3CC[NH2+][C@H]3C2)CC1 ZINC000643065047 357776824 /nfs/dbraw/zinc/77/68/24/357776824.db2.gz QWIUTAQJNSZWDK-KGLIPLIRSA-N 3 2 280.416 -0.166 20 0 CBADLP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)NC2C[NH2+]C2)C1 ZINC000642788834 357763887 /nfs/dbraw/zinc/76/38/87/357763887.db2.gz DOVZNNUQEULDBA-ZDUSSCGKSA-N 2 2 288.351 -0.623 20 0 CBADLP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)NC2C[NH2+]C2)C1 ZINC000642788834 357763889 /nfs/dbraw/zinc/76/38/89/357763889.db2.gz DOVZNNUQEULDBA-ZDUSSCGKSA-N 2 2 288.351 -0.623 20 0 CBADLP O=C(N[C@@H]1CCCC[NH2+]C1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000642929665 357771190 /nfs/dbraw/zinc/77/11/90/357771190.db2.gz UHZYSUBNSDEEGQ-GFCCVEGCSA-N 2 2 294.399 -0.449 20 0 CBADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C3CC3)CC2)C[C@H]1[NH3+] ZINC000643483834 357785329 /nfs/dbraw/zinc/78/53/29/357785329.db2.gz LLNRDKFIPFGAEX-ZYHUDNBSSA-N 2 2 280.372 -0.901 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000430559841 283365463 /nfs/dbraw/zinc/36/54/63/283365463.db2.gz FFQIDUXDYCHAFW-AWEZNQCLSA-N 2 2 284.404 -0.312 20 0 CBADLP CCC[C@H](CNC(=O)C[NH+](C)C)NC(=O)C[NH+](C)C ZINC000341777422 216098296 /nfs/dbraw/zinc/09/82/96/216098296.db2.gz AZKKYSGSALVRIB-LLVKDONJSA-N 2 2 272.393 -0.489 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NCC[NH+]1CCOCC1 ZINC000298559155 200468894 /nfs/dbraw/zinc/46/88/94/200468894.db2.gz FCSVSRDTFZHPMT-LBPRGKRZSA-N 2 2 281.360 -0.097 20 0 CBADLP C[NH+](C)CC(=O)N1CC[NH+](C[C@@H](O)CC2(O)CCC2)CC1 ZINC000528350895 283606795 /nfs/dbraw/zinc/60/67/95/283606795.db2.gz NMEANGWFOJQRKW-ZDUSSCGKSA-N 2 2 299.415 -0.642 20 0 CBADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000182397871 189322162 /nfs/dbraw/zinc/32/21/62/189322162.db2.gz QEGQPHAVRYKKGE-NEPJUHHUSA-N 2 2 283.372 -0.166 20 0 CBADLP Cc1nc(N2CC[NH+](CCC(=O)NC(N)=O)CC2)cc[nH+]1 ZINC000183791521 189368014 /nfs/dbraw/zinc/36/80/14/189368014.db2.gz ZYDOTTOYOKAKHF-UHFFFAOYSA-N 2 2 292.343 -0.508 20 0 CBADLP CNC(=O)[C@H]1C[N@H+](CCCn2cc[nH+]c2)CCO1 ZINC000184067502 189375282 /nfs/dbraw/zinc/37/52/82/189375282.db2.gz QPIBCOONSGWALI-LLVKDONJSA-N 2 2 252.318 -0.280 20 0 CBADLP CNC(=O)[C@H]1C[N@@H+](CCCn2cc[nH+]c2)CCO1 ZINC000184067502 189375283 /nfs/dbraw/zinc/37/52/83/189375283.db2.gz QPIBCOONSGWALI-LLVKDONJSA-N 2 2 252.318 -0.280 20 0 CBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)c1cc[nH+]cc1C(N)=O ZINC000302170282 201379498 /nfs/dbraw/zinc/37/94/98/201379498.db2.gz UAJCDHUBKGTKKX-LLVKDONJSA-N 2 2 294.355 -0.690 20 0 CBADLP COC(=O)CN(CC[NH+]1CCOCC1)C[C@@H](C)[NH3+] ZINC000420358052 283825848 /nfs/dbraw/zinc/82/58/48/283825848.db2.gz IXTKBKDTJQZKIB-LLVKDONJSA-N 2 2 259.350 -0.859 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000548523109 283923510 /nfs/dbraw/zinc/92/35/10/283923510.db2.gz ONTMLVDMKGPOPP-UHFFFAOYSA-N 2 2 280.372 -0.122 20 0 CBADLP C[C@]1(C[N@@H+]2CCC[C@@H](S(N)(=O)=O)C2)CC[NH2+]C1 ZINC000261992906 291380465 /nfs/dbraw/zinc/38/04/65/291380465.db2.gz KLPSPZATKRVDRF-MNOVXSKESA-N 2 2 261.391 -0.261 20 0 CBADLP C[C@]1(C[N@H+]2CCC[C@@H](S(N)(=O)=O)C2)CC[NH2+]C1 ZINC000261992906 291380468 /nfs/dbraw/zinc/38/04/68/291380468.db2.gz KLPSPZATKRVDRF-MNOVXSKESA-N 2 2 261.391 -0.261 20 0 CBADLP CC(=O)NCC[NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000552214732 283978968 /nfs/dbraw/zinc/97/89/68/283978968.db2.gz GFEHCBJTNWLGJM-GVXVVHGQSA-N 2 2 273.377 -0.818 20 0 CBADLP C[N@@H+]1CCN(C(=O)CNC(=O)C(C)(C)C)[C@@H](C[NH3+])C1 ZINC000574320776 335010089 /nfs/dbraw/zinc/01/00/89/335010089.db2.gz FZCJSRYFCMSEIJ-JTQLQIEISA-N 2 2 270.377 -0.750 20 0 CBADLP C[N@H+]1CCN(C(=O)CNC(=O)C(C)(C)C)[C@@H](C[NH3+])C1 ZINC000574320776 335010091 /nfs/dbraw/zinc/01/00/91/335010091.db2.gz FZCJSRYFCMSEIJ-JTQLQIEISA-N 2 2 270.377 -0.750 20 0 CBADLP C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[N@@H+]1CCO ZINC000330785407 203233466 /nfs/dbraw/zinc/23/34/66/203233466.db2.gz TZKMOZFEQIHWOJ-LLVKDONJSA-N 2 2 266.345 -0.133 20 0 CBADLP C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[N@H+]1CCO ZINC000330785407 203233470 /nfs/dbraw/zinc/23/34/70/203233470.db2.gz TZKMOZFEQIHWOJ-LLVKDONJSA-N 2 2 266.345 -0.133 20 0 CBADLP C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[N@@H+]1CCO ZINC000330788058 203236850 /nfs/dbraw/zinc/23/68/50/203236850.db2.gz YCILCNHRSPKILY-NSHDSACASA-N 2 2 266.345 -0.133 20 0 CBADLP C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[N@H+]1CCO ZINC000330788058 203236854 /nfs/dbraw/zinc/23/68/54/203236854.db2.gz YCILCNHRSPKILY-NSHDSACASA-N 2 2 266.345 -0.133 20 0 CBADLP C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[N@@H+]1CCO ZINC000330788058 203236856 /nfs/dbraw/zinc/23/68/56/203236856.db2.gz YCILCNHRSPKILY-NSHDSACASA-N 2 2 266.345 -0.133 20 0 CBADLP C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[N@H+]1CCO ZINC000330788058 203236859 /nfs/dbraw/zinc/23/68/59/203236859.db2.gz YCILCNHRSPKILY-NSHDSACASA-N 2 2 266.345 -0.133 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000276189058 193237304 /nfs/dbraw/zinc/23/73/04/193237304.db2.gz HQGUDDPRQTVNHC-RYUDHWBXSA-N 2 2 278.356 -0.108 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000276189058 193237305 /nfs/dbraw/zinc/23/73/05/193237305.db2.gz HQGUDDPRQTVNHC-RYUDHWBXSA-N 2 2 278.356 -0.108 20 0 CBADLP O=C([C@H]1C[C@H](F)C[NH2+]1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000188733031 296147962 /nfs/dbraw/zinc/14/79/62/296147962.db2.gz IJZSXJTWJXHLBB-QJPTWQEYSA-N 2 2 271.336 -0.381 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000353333790 220031524 /nfs/dbraw/zinc/03/15/24/220031524.db2.gz ZMKFWPHUSPBPSE-MCIONIFRSA-N 2 2 299.415 -0.068 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000353333790 220031526 /nfs/dbraw/zinc/03/15/26/220031526.db2.gz ZMKFWPHUSPBPSE-MCIONIFRSA-N 2 2 299.415 -0.068 20 0 CBADLP CN(CCC[N@H+](C)Cc1nc(N)nc(N)n1)CC[NH+](C)C ZINC000344053130 217030902 /nfs/dbraw/zinc/03/09/02/217030902.db2.gz IRCWXBMQNYTFAB-UHFFFAOYSA-N 2 2 296.423 -0.988 20 0 CBADLP CN(CCC[N@@H+](C)Cc1nc(N)nc(N)n1)CC[NH+](C)C ZINC000344053130 217030904 /nfs/dbraw/zinc/03/09/04/217030904.db2.gz IRCWXBMQNYTFAB-UHFFFAOYSA-N 2 2 296.423 -0.988 20 0 CBADLP C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCC[NH+]1CCOCC1 ZINC000333141561 205065988 /nfs/dbraw/zinc/06/59/88/205065988.db2.gz JLABJHAKQVQBTG-NWDGAFQWSA-N 2 2 270.377 -0.384 20 0 CBADLP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114199696 372790194 /nfs/dbraw/zinc/79/01/94/372790194.db2.gz CNZJETZQMKOIQY-NXEZZACHSA-N 2 2 256.350 -0.286 20 0 CBADLP CNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114199696 372790200 /nfs/dbraw/zinc/79/02/00/372790200.db2.gz CNZJETZQMKOIQY-NXEZZACHSA-N 2 2 256.350 -0.286 20 0 CBADLP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+]([C@@H](C)C(N)=O)CC2)C1 ZINC000105845507 372783124 /nfs/dbraw/zinc/78/31/24/372783124.db2.gz RJRJBTGEUJLJFB-KBPBESRZSA-N 2 2 298.431 -0.413 20 0 CBADLP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+]([C@@H](C)C(N)=O)CC2)C1 ZINC000105845507 372783127 /nfs/dbraw/zinc/78/31/27/372783127.db2.gz RJRJBTGEUJLJFB-KBPBESRZSA-N 2 2 298.431 -0.413 20 0 CBADLP CC(=O)NCCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000162529857 372821519 /nfs/dbraw/zinc/82/15/19/372821519.db2.gz VJUPYZCKEHWMPE-AWEZNQCLSA-N 2 2 296.415 -0.249 20 0 CBADLP CC(=O)NCCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000162529857 372821528 /nfs/dbraw/zinc/82/15/28/372821528.db2.gz VJUPYZCKEHWMPE-AWEZNQCLSA-N 2 2 296.415 -0.249 20 0 CBADLP CCN1CC[NH+](C[C@@H](C)CNC(=O)C[NH+](C)C)CC1 ZINC000163100654 372824950 /nfs/dbraw/zinc/82/49/50/372824950.db2.gz WAMLAAMEQOPRDR-ZDUSSCGKSA-N 2 2 270.421 -0.062 20 0 CBADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C[NH+](C)C)CC1 ZINC000163100654 372824962 /nfs/dbraw/zinc/82/49/62/372824962.db2.gz WAMLAAMEQOPRDR-ZDUSSCGKSA-N 2 2 270.421 -0.062 20 0 CBADLP C[C@@H](NC(=O)[C@@H]1CSC[NH2+]1)[C@@H](C)[NH+]1CCOCC1 ZINC000167695827 372825749 /nfs/dbraw/zinc/82/57/49/372825749.db2.gz JMWFWENXBFOGLJ-MXWKQRLJSA-N 2 2 273.402 -0.126 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCCO)CC1 ZINC000162241700 372819187 /nfs/dbraw/zinc/81/91/87/372819187.db2.gz OOCUWZKYYYTXPN-GFCCVEGCSA-N 2 2 255.362 -0.393 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCCO)CC1 ZINC000162241700 372819195 /nfs/dbraw/zinc/81/91/95/372819195.db2.gz OOCUWZKYYYTXPN-GFCCVEGCSA-N 2 2 255.362 -0.393 20 0 CBADLP O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)N[C@H]1CCC[NH2+]C1 ZINC000333191723 205104459 /nfs/dbraw/zinc/10/44/59/205104459.db2.gz ABVPOPDSXBPEAV-RWMBFGLXSA-N 2 2 282.388 -0.099 20 0 CBADLP O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)N[C@H]1CCC[NH2+]C1 ZINC000333191723 205104462 /nfs/dbraw/zinc/10/44/62/205104462.db2.gz ABVPOPDSXBPEAV-RWMBFGLXSA-N 2 2 282.388 -0.099 20 0 CBADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCC[NH+]1CCN(C(C)=O)CC1 ZINC000353447743 220089496 /nfs/dbraw/zinc/08/94/96/220089496.db2.gz LMBSSKLEVJHMEL-KGLIPLIRSA-N 2 2 296.415 -0.345 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000189719528 372854577 /nfs/dbraw/zinc/85/45/77/372854577.db2.gz QSTUHZWWGFNKNK-LBPRGKRZSA-N 2 2 257.378 -0.148 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000189719528 372854586 /nfs/dbraw/zinc/85/45/86/372854586.db2.gz QSTUHZWWGFNKNK-LBPRGKRZSA-N 2 2 257.378 -0.148 20 0 CBADLP O[C@H](CN[C@H]1CC[N@@H+]2CCCC[C@@H]12)C[NH+]1CCOCC1 ZINC000219240444 372870636 /nfs/dbraw/zinc/87/06/36/372870636.db2.gz DLBGKIKGDIVDDM-ILXRZTDVSA-N 2 2 283.416 -0.104 20 0 CBADLP O[C@H](CN[C@H]1CC[N@H+]2CCCC[C@@H]12)C[NH+]1CCOCC1 ZINC000219240444 372870642 /nfs/dbraw/zinc/87/06/42/372870642.db2.gz DLBGKIKGDIVDDM-ILXRZTDVSA-N 2 2 283.416 -0.104 20 0 CBADLP O[C@H](C[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)CN1CCOCC1 ZINC000219240444 372870648 /nfs/dbraw/zinc/87/06/48/372870648.db2.gz DLBGKIKGDIVDDM-ILXRZTDVSA-N 2 2 283.416 -0.104 20 0 CBADLP O[C@H](C[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)CN1CCOCC1 ZINC000219240444 372870653 /nfs/dbraw/zinc/87/06/53/372870653.db2.gz DLBGKIKGDIVDDM-ILXRZTDVSA-N 2 2 283.416 -0.104 20 0 CBADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)NC(N)=O)C1 ZINC000245437558 284354169 /nfs/dbraw/zinc/35/41/69/284354169.db2.gz DVVXQRDNVLUTTR-NXEZZACHSA-N 2 2 256.350 -0.157 20 0 CBADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)NC(N)=O)C1 ZINC000245437558 284354173 /nfs/dbraw/zinc/35/41/73/284354173.db2.gz DVVXQRDNVLUTTR-NXEZZACHSA-N 2 2 256.350 -0.157 20 0 CBADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC000245437558 284354176 /nfs/dbraw/zinc/35/41/76/284354176.db2.gz DVVXQRDNVLUTTR-NXEZZACHSA-N 2 2 256.350 -0.157 20 0 CBADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC000245437558 284354177 /nfs/dbraw/zinc/35/41/77/284354177.db2.gz DVVXQRDNVLUTTR-NXEZZACHSA-N 2 2 256.350 -0.157 20 0 CBADLP CN(C)C(=O)C[NH+](C)C/C=C\C[N@@H+](C)CC(=O)N(C)C ZINC000255114534 372899928 /nfs/dbraw/zinc/89/99/28/372899928.db2.gz SWFXLCQVSNMSLZ-FPLPWBNLSA-N 2 2 284.404 -0.417 20 0 CBADLP CN(C)C(=O)C[NH+](C)C/C=C\C[N@H+](C)CC(=O)N(C)C ZINC000255114534 372899934 /nfs/dbraw/zinc/89/99/34/372899934.db2.gz SWFXLCQVSNMSLZ-FPLPWBNLSA-N 2 2 284.404 -0.417 20 0 CBADLP O=C(NCC[NH+]1CCOCC1)N[C@@H]1CCCC[NH2+]C1 ZINC000258203647 372904614 /nfs/dbraw/zinc/90/46/14/372904614.db2.gz PTOUNYLTDZETBC-GFCCVEGCSA-N 2 2 270.377 -0.240 20 0 CBADLP COCC[NH+]1CCN(C(=O)NCc2c[nH+]cn2C)CC1 ZINC000292378500 372960526 /nfs/dbraw/zinc/96/05/26/372960526.db2.gz PZUJIAYMCDUXAI-UHFFFAOYSA-N 2 2 281.360 -0.106 20 0 CBADLP CN(C)c1[nH+]cc(C[NH2+][C@@H]2CCc3nnnn3CC2)n1C ZINC000333414208 205301369 /nfs/dbraw/zinc/30/13/69/205301369.db2.gz HTJWRRHGZYDYSC-SNVBAGLBSA-N 2 2 290.375 -0.033 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N2CCn3c[nH+]cc3C2)C1 ZINC000329621857 372979980 /nfs/dbraw/zinc/97/99/80/372979980.db2.gz RREBUBAFAUIVNY-NSHDSACASA-N 2 2 250.302 -0.444 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N2CCn3c[nH+]cc3C2)C1 ZINC000329621857 372979987 /nfs/dbraw/zinc/97/99/87/372979987.db2.gz RREBUBAFAUIVNY-NSHDSACASA-N 2 2 250.302 -0.444 20 0 CBADLP C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000333447946 205327141 /nfs/dbraw/zinc/32/71/41/205327141.db2.gz LDBPWBNYGAMFAO-CHWSQXEVSA-N 2 2 292.383 -0.030 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000333070468 373007575 /nfs/dbraw/zinc/00/75/75/373007575.db2.gz UXKVSECEDLZJSV-OCCSQVGLSA-N 2 2 285.388 -0.720 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000333070468 373007577 /nfs/dbraw/zinc/00/75/77/373007577.db2.gz UXKVSECEDLZJSV-OCCSQVGLSA-N 2 2 285.388 -0.720 20 0 CBADLP CC[C@H](C(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1)[NH+](C)C ZINC000338964220 373032786 /nfs/dbraw/zinc/03/27/86/373032786.db2.gz OYKXWJDXSSZHDN-WOPDTQHZSA-N 2 2 255.362 -0.132 20 0 CBADLP CC[C@H](C(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1)[NH+](C)C ZINC000338964220 373032787 /nfs/dbraw/zinc/03/27/87/373032787.db2.gz OYKXWJDXSSZHDN-WOPDTQHZSA-N 2 2 255.362 -0.132 20 0 CBADLP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000333495589 205373354 /nfs/dbraw/zinc/37/33/54/205373354.db2.gz CTZKBSSKAFRHTQ-SDDRHHMPSA-N 2 2 270.377 -0.243 20 0 CBADLP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000333495589 205373358 /nfs/dbraw/zinc/37/33/58/205373358.db2.gz CTZKBSSKAFRHTQ-SDDRHHMPSA-N 2 2 270.377 -0.243 20 0 CBADLP C[C@@H](NC(=O)CCOC1C[NH2+]C1)[C@@H](C)[NH+]1CCOCC1 ZINC000349006191 373087446 /nfs/dbraw/zinc/08/74/46/373087446.db2.gz TXWWEIBPBPZPFW-VXGBXAGGSA-N 2 2 285.388 -0.410 20 0 CBADLP C[C@@H]1C[C@@H](C(=O)N[C@H](CO)C[NH+]2CCOCC2)CC[N@@H+]1C ZINC000351507497 373094348 /nfs/dbraw/zinc/09/43/48/373094348.db2.gz ZQLHGRWZSGAHGA-RDBSUJKOSA-N 2 2 299.415 -0.474 20 0 CBADLP C[C@@H]1C[C@@H](C(=O)N[C@H](CO)C[NH+]2CCOCC2)CC[N@H+]1C ZINC000351507497 373094361 /nfs/dbraw/zinc/09/43/61/373094361.db2.gz ZQLHGRWZSGAHGA-RDBSUJKOSA-N 2 2 299.415 -0.474 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)C1 ZINC000352799069 373108246 /nfs/dbraw/zinc/10/82/46/373108246.db2.gz VYFSZYYMWFTHCU-XQQFMLRXSA-N 2 2 267.373 -0.130 20 0 CBADLP C[NH+]1CC[C@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC000352799069 373108250 /nfs/dbraw/zinc/10/82/50/373108250.db2.gz VYFSZYYMWFTHCU-XQQFMLRXSA-N 2 2 267.373 -0.130 20 0 CBADLP C[NH+]1CC[C@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC000352799069 373108254 /nfs/dbraw/zinc/10/82/54/373108254.db2.gz VYFSZYYMWFTHCU-XQQFMLRXSA-N 2 2 267.373 -0.130 20 0 CBADLP CC[N@@H+]1CC[C@@H]2OCCN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC000355360102 373132752 /nfs/dbraw/zinc/13/27/52/373132752.db2.gz GOANPOXBYKVCML-RDBSUJKOSA-N 2 2 297.399 -0.361 20 0 CBADLP CC[N@H+]1CC[C@@H]2OCCN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC000355360102 373132765 /nfs/dbraw/zinc/13/27/65/373132765.db2.gz GOANPOXBYKVCML-RDBSUJKOSA-N 2 2 297.399 -0.361 20 0 CBADLP CC[NH+]1CC[C@@H]2OCCN(C(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC000355360102 373132775 /nfs/dbraw/zinc/13/27/75/373132775.db2.gz GOANPOXBYKVCML-RDBSUJKOSA-N 2 2 297.399 -0.361 20 0 CBADLP CC[NH+]1CC[C@@H]2OCCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC000355360102 373132782 /nfs/dbraw/zinc/13/27/82/373132782.db2.gz GOANPOXBYKVCML-RDBSUJKOSA-N 2 2 297.399 -0.361 20 0 CBADLP C[N@@H+]1CC[C@](O)(CNC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000360505212 373201939 /nfs/dbraw/zinc/20/19/39/373201939.db2.gz SWEWLKNPTVUFRX-YGRLFVJLSA-N 2 2 293.371 -0.367 20 0 CBADLP C[N@H+]1CC[C@](O)(CNC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000360505212 373201945 /nfs/dbraw/zinc/20/19/45/373201945.db2.gz SWEWLKNPTVUFRX-YGRLFVJLSA-N 2 2 293.371 -0.367 20 0 CBADLP C[N@H+](CCCO)C1CC[NH+]([C@@H]2COC[C@@H]2O)CC1 ZINC000361313719 373275176 /nfs/dbraw/zinc/27/51/76/373275176.db2.gz NYSFGLOLUDENSL-OLZOCXBDSA-N 2 2 258.362 -0.475 20 0 CBADLP C[N@@H+](CCCO)C1CC[NH+]([C@@H]2COC[C@@H]2O)CC1 ZINC000361313719 373275186 /nfs/dbraw/zinc/27/51/86/373275186.db2.gz NYSFGLOLUDENSL-OLZOCXBDSA-N 2 2 258.362 -0.475 20 0 CBADLP C[NH+]1CCN(CCNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000360820108 373238487 /nfs/dbraw/zinc/23/84/87/373238487.db2.gz TXUASOZDSIXDCA-JTQLQIEISA-N 2 2 276.331 -0.653 20 0 CBADLP C[C@@H](C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)[NH+]1CCOCC1 ZINC000360833711 373240740 /nfs/dbraw/zinc/24/07/40/373240740.db2.gz NQRFBPLMCJKRFB-GXTWGEPZSA-N 2 2 267.373 -0.081 20 0 CBADLP CN(CC[NH+](C)C)S(=O)(=O)CCC[NH+]1CCOCC1 ZINC000361557695 373308634 /nfs/dbraw/zinc/30/86/34/373308634.db2.gz CKMBGWGLAKENFI-UHFFFAOYSA-N 2 2 293.433 -0.468 20 0 CBADLP CC(C)NC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)[NH3+])CC1 ZINC000361719505 373330080 /nfs/dbraw/zinc/33/00/80/373330080.db2.gz UOVHUGNSKSUMAH-NSHDSACASA-N 2 2 270.377 -0.608 20 0 CBADLP CC(C)NC(=O)C[N@H+]1CCCN(C(=O)[C@H](C)[NH3+])CC1 ZINC000361719505 373330086 /nfs/dbraw/zinc/33/00/86/373330086.db2.gz UOVHUGNSKSUMAH-NSHDSACASA-N 2 2 270.377 -0.608 20 0 CBADLP NC(=O)C1([NH+]2CCN(C(=O)CC[NH3+])CC2)CCCCC1 ZINC000361729329 373330512 /nfs/dbraw/zinc/33/05/12/373330512.db2.gz RHAAHMOCPQJWNH-UHFFFAOYSA-N 2 2 282.388 -0.332 20 0 CBADLP COCC[NH2+]CC(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000361717272 373330632 /nfs/dbraw/zinc/33/06/32/373330632.db2.gz CNLPPXNDTXBEDI-UONOGXRCSA-N 2 2 299.415 -0.018 20 0 CBADLP CCO[C@@H]1COCC[C@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000362012868 373357407 /nfs/dbraw/zinc/35/74/07/373357407.db2.gz IAHHMXKKDAFCGI-CHWSQXEVSA-N 2 2 285.388 -0.456 20 0 CBADLP CC[NH+](CC)CC(=O)N1CC[NH+]([C@H]2CCCNC2=O)CC1 ZINC000362250209 373383014 /nfs/dbraw/zinc/38/30/14/373383014.db2.gz OOTMQWMQKBJPIZ-ZDUSSCGKSA-N 2 2 296.415 -0.249 20 0 CBADLP Cn1cc(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cn1 ZINC000362695926 373437215 /nfs/dbraw/zinc/43/72/15/373437215.db2.gz WVEQNTPCEMVKTN-ZDUSSCGKSA-N 2 2 277.372 -0.184 20 0 CBADLP Cn1cc(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cn1 ZINC000362695926 373437222 /nfs/dbraw/zinc/43/72/22/373437222.db2.gz WVEQNTPCEMVKTN-ZDUSSCGKSA-N 2 2 277.372 -0.184 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C)[NH+]1CCN(C)CC1 ZINC000362763875 373445512 /nfs/dbraw/zinc/44/55/12/373445512.db2.gz WZWRGWHMEUCJQX-MGPQQGTHSA-N 2 2 282.432 -0.064 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C)[NH+]1CCN(C)CC1 ZINC000362763875 373445522 /nfs/dbraw/zinc/44/55/22/373445522.db2.gz WZWRGWHMEUCJQX-MGPQQGTHSA-N 2 2 282.432 -0.064 20 0 CBADLP CC[C@H](C)NC(=O)C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362831754 373451691 /nfs/dbraw/zinc/45/16/91/373451691.db2.gz SRIMMBKQVXEMMV-QWHCGFSZSA-N 2 2 296.415 -0.203 20 0 CBADLP CC[C@H](C)NC(=O)C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362831754 373451697 /nfs/dbraw/zinc/45/16/97/373451697.db2.gz SRIMMBKQVXEMMV-QWHCGFSZSA-N 2 2 296.415 -0.203 20 0 CBADLP CC(C)([NH3+])C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362662036 373433869 /nfs/dbraw/zinc/43/38/69/373433869.db2.gz GVKDCJYGJWANCG-LLVKDONJSA-N 3 2 254.378 -0.380 20 0 CBADLP CC(C)([NH3+])C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362662036 373433879 /nfs/dbraw/zinc/43/38/79/373433879.db2.gz GVKDCJYGJWANCG-LLVKDONJSA-N 3 2 254.378 -0.380 20 0 CBADLP O=C(C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1)N1CCNC1=O ZINC000363414541 373490147 /nfs/dbraw/zinc/49/01/47/373490147.db2.gz OKPUNSASFSSDHL-JHJVBQTASA-N 2 2 292.383 -0.046 20 0 CBADLP O=C(C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1)N1CCNC1=O ZINC000363414541 373490153 /nfs/dbraw/zinc/49/01/53/373490153.db2.gz OKPUNSASFSSDHL-JHJVBQTASA-N 2 2 292.383 -0.046 20 0 CBADLP O=C(C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1)N1CCNC1=O ZINC000363414541 373490162 /nfs/dbraw/zinc/49/01/62/373490162.db2.gz OKPUNSASFSSDHL-JHJVBQTASA-N 2 2 292.383 -0.046 20 0 CBADLP O=C(C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1)N1CCNC1=O ZINC000363414541 373490167 /nfs/dbraw/zinc/49/01/67/373490167.db2.gz OKPUNSASFSSDHL-JHJVBQTASA-N 2 2 292.383 -0.046 20 0 CBADLP NS(=O)(=O)N1CCC[N@H+](CCC[NH+]2CCCC2)CC1 ZINC000363459933 373493349 /nfs/dbraw/zinc/49/33/49/373493349.db2.gz UGRARHYADJRWHI-UHFFFAOYSA-N 2 2 290.433 -0.317 20 0 CBADLP NS(=O)(=O)N1CCC[N@@H+](CCC[NH+]2CCCC2)CC1 ZINC000363459933 373493357 /nfs/dbraw/zinc/49/33/57/373493357.db2.gz UGRARHYADJRWHI-UHFFFAOYSA-N 2 2 290.433 -0.317 20 0 CBADLP COC(=O)CNC(=O)C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000363631149 373500376 /nfs/dbraw/zinc/50/03/76/373500376.db2.gz HBPJGDAZQYYGRV-FRRDWIJNSA-N 2 2 295.383 -0.308 20 0 CBADLP COC(=O)CNC(=O)C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000363631149 373500386 /nfs/dbraw/zinc/50/03/86/373500386.db2.gz HBPJGDAZQYYGRV-FRRDWIJNSA-N 2 2 295.383 -0.308 20 0 CBADLP COC(=O)CNC(=O)C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363631149 373500396 /nfs/dbraw/zinc/50/03/96/373500396.db2.gz HBPJGDAZQYYGRV-FRRDWIJNSA-N 2 2 295.383 -0.308 20 0 CBADLP COC(=O)CNC(=O)C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363631149 373500401 /nfs/dbraw/zinc/50/04/01/373500401.db2.gz HBPJGDAZQYYGRV-FRRDWIJNSA-N 2 2 295.383 -0.308 20 0 CBADLP C[C@H]([NH3+])[C@H](C)C(=O)NC[C@@]1([NH+]2CCOCC2)CCCOC1 ZINC000365185139 373523987 /nfs/dbraw/zinc/52/39/87/373523987.db2.gz UHMWPGZGYYSVDY-YDHLFZDLSA-N 2 2 299.415 -0.033 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CCn3c[nH+]cc3C2)C1 ZINC000365758952 373525199 /nfs/dbraw/zinc/52/51/99/373525199.db2.gz ILYMZYUWDZIRQS-GFCCVEGCSA-N 2 2 264.329 -0.054 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)N2CCn3c[nH+]cc3C2)C1 ZINC000365758952 373525210 /nfs/dbraw/zinc/52/52/10/373525210.db2.gz ILYMZYUWDZIRQS-GFCCVEGCSA-N 2 2 264.329 -0.054 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000366472353 373529708 /nfs/dbraw/zinc/52/97/08/373529708.db2.gz GBMKTHIFVGFHFZ-QWHCGFSZSA-N 2 2 283.372 -0.750 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000366472353 373529714 /nfs/dbraw/zinc/52/97/14/373529714.db2.gz GBMKTHIFVGFHFZ-QWHCGFSZSA-N 2 2 283.372 -0.750 20 0 CBADLP CC[N@H+](CCO)CCNC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000367857156 373538808 /nfs/dbraw/zinc/53/88/08/373538808.db2.gz FTDDSSZROYBEBH-LLVKDONJSA-N 2 2 295.387 -0.120 20 0 CBADLP CC[N@@H+](CCO)CCNC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000367857156 373538819 /nfs/dbraw/zinc/53/88/19/373538819.db2.gz FTDDSSZROYBEBH-LLVKDONJSA-N 2 2 295.387 -0.120 20 0 CBADLP CC[N@H+](CCO)CCNC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000367857156 373538829 /nfs/dbraw/zinc/53/88/29/373538829.db2.gz FTDDSSZROYBEBH-LLVKDONJSA-N 2 2 295.387 -0.120 20 0 CBADLP CC[N@@H+](CCO)CCNC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000367857156 373538844 /nfs/dbraw/zinc/53/88/44/373538844.db2.gz FTDDSSZROYBEBH-LLVKDONJSA-N 2 2 295.387 -0.120 20 0 CBADLP C[C@H]([NH3+])C(=O)N1CC[NH+](C2(C(N)=O)CCCC2)CC1 ZINC000376788758 373572111 /nfs/dbraw/zinc/57/21/11/373572111.db2.gz ARFHJSCZKAMYIV-JTQLQIEISA-N 2 2 268.361 -0.724 20 0 CBADLP CN(C)c1[nH+]cc(CNC[C@]2(O)CC[N@H+](C)C2)n1C ZINC000425337714 373667112 /nfs/dbraw/zinc/66/71/12/373667112.db2.gz NOTMBXJXKIOJHK-CYBMUJFWSA-N 2 2 267.377 -0.358 20 0 CBADLP CN(C)c1[nH+]cc(CNC[C@]2(O)CC[N@@H+](C)C2)n1C ZINC000425337714 373667122 /nfs/dbraw/zinc/66/71/22/373667122.db2.gz NOTMBXJXKIOJHK-CYBMUJFWSA-N 2 2 267.377 -0.358 20 0 CBADLP CN(C)c1ncc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)n1C ZINC000425337714 373667128 /nfs/dbraw/zinc/66/71/28/373667128.db2.gz NOTMBXJXKIOJHK-CYBMUJFWSA-N 2 2 267.377 -0.358 20 0 CBADLP CN(C)c1ncc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)n1C ZINC000425337714 373667133 /nfs/dbraw/zinc/66/71/33/373667133.db2.gz NOTMBXJXKIOJHK-CYBMUJFWSA-N 2 2 267.377 -0.358 20 0 CBADLP Cc1cn2cc(NC(=O)[C@@H]([NH3+])CC(N)=O)ccc2[nH+]1 ZINC000353649025 220224342 /nfs/dbraw/zinc/22/43/42/220224342.db2.gz UVANXMIKEOVLFX-VIFPVBQESA-N 2 2 261.285 -0.216 20 0 CBADLP Cc1c(/C=C/C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cnn1C ZINC000493512988 373717857 /nfs/dbraw/zinc/71/78/57/373717857.db2.gz ADQXBYQYLUBZTI-MUBLQREKSA-N 2 2 277.372 -0.157 20 0 CBADLP Cc1c(/C=C/C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cnn1C ZINC000493512988 373717869 /nfs/dbraw/zinc/71/78/69/373717869.db2.gz ADQXBYQYLUBZTI-MUBLQREKSA-N 2 2 277.372 -0.157 20 0 CBADLP Cc1cn2cc(NC(=O)[C@H]([NH3+])CC(N)=O)ccc2[nH+]1 ZINC000353649022 220224998 /nfs/dbraw/zinc/22/49/98/220224998.db2.gz UVANXMIKEOVLFX-SECBINFHSA-N 2 2 261.285 -0.216 20 0 CBADLP C[NH+]1CCN(CCNC(=O)/C=C/c2[nH]cc[nH+]2)CC1 ZINC000493784143 373728858 /nfs/dbraw/zinc/72/88/58/373728858.db2.gz RUSKGYXQQDCDLD-NSCUHMNNSA-N 2 2 263.345 -0.214 20 0 CBADLP COC(=O)[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CC[N@H+](C)C1 ZINC000493809051 373731571 /nfs/dbraw/zinc/73/15/71/373731571.db2.gz GMMKACQSDKVMMM-BYCRGOAPSA-N 2 2 292.339 -0.014 20 0 CBADLP COC(=O)[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CC[N@@H+](C)C1 ZINC000493809051 373731578 /nfs/dbraw/zinc/73/15/78/373731578.db2.gz GMMKACQSDKVMMM-BYCRGOAPSA-N 2 2 292.339 -0.014 20 0 CBADLP CCn1cc[nH+]c1/C=C\C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000493852180 373733415 /nfs/dbraw/zinc/73/34/15/373733415.db2.gz VDNDOUAJYNWGRQ-ARJAWSKDSA-N 2 2 291.355 -0.536 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000514670792 373760001 /nfs/dbraw/zinc/76/00/01/373760001.db2.gz JZQKJUSAJOZIJP-UHFFFAOYSA-N 2 2 280.372 -0.980 20 0 CBADLP Cc1ccc2[nH+]c(CNC(=O)C(=O)NC3C[NH2+]C3)cn2c1 ZINC000521217739 373839914 /nfs/dbraw/zinc/83/99/14/373839914.db2.gz WPTIVNKRNIUSOW-UHFFFAOYSA-N 2 2 287.323 -0.653 20 0 CBADLP C[NH2+][C@@H](C)C(=O)N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC000515311049 373780803 /nfs/dbraw/zinc/78/08/03/373780803.db2.gz ARKGTIMYLUZZKU-QWHCGFSZSA-N 2 2 296.415 -0.251 20 0 CBADLP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000515299217 373781028 /nfs/dbraw/zinc/78/10/28/373781028.db2.gz SUCDSJCLBGGCSC-QWRGUYRKSA-N 2 2 299.419 -0.297 20 0 CBADLP C[C@H](C(=O)N1CC(n2cc[nH+]c2)C1)N1CC[NH+](C)CC1 ZINC000524400225 373882391 /nfs/dbraw/zinc/88/23/91/373882391.db2.gz WLDXRKOWLRKFHH-GFCCVEGCSA-N 2 2 277.372 -0.098 20 0 CBADLP CC(C)[C@H](C)NC(=O)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000521462532 373844019 /nfs/dbraw/zinc/84/40/19/373844019.db2.gz KQGFPWBJNYBELX-SRVKXCTJSA-N 2 2 282.388 -0.609 20 0 CBADLP CC(C)[C@H](C)NC(=O)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000521462532 373844028 /nfs/dbraw/zinc/84/40/28/373844028.db2.gz KQGFPWBJNYBELX-SRVKXCTJSA-N 2 2 282.388 -0.609 20 0 CBADLP CC(C)[C@H](C)NC(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000521462530 373844481 /nfs/dbraw/zinc/84/44/81/373844481.db2.gz KQGFPWBJNYBELX-QJPTWQEYSA-N 2 2 282.388 -0.609 20 0 CBADLP CC(C)[C@H](C)NC(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000521462530 373844487 /nfs/dbraw/zinc/84/44/87/373844487.db2.gz KQGFPWBJNYBELX-QJPTWQEYSA-N 2 2 282.388 -0.609 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC([C@@H](O)C(=O)OC)CC1 ZINC000521893967 373853444 /nfs/dbraw/zinc/85/34/44/373853444.db2.gz DQQCUBUPNXBVOL-QWHCGFSZSA-N 2 2 288.388 -0.455 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC([C@@H](O)C(=O)OC)CC1 ZINC000521893967 373853450 /nfs/dbraw/zinc/85/34/50/373853450.db2.gz DQQCUBUPNXBVOL-QWHCGFSZSA-N 2 2 288.388 -0.455 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)Cn2cc[nH+]c2)CCO1 ZINC000521948875 373854423 /nfs/dbraw/zinc/85/44/23/373854423.db2.gz DJRAIENPHHLUJD-NSHDSACASA-N 2 2 252.318 -0.280 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)Cn2cc[nH+]c2)CCO1 ZINC000521948875 373854426 /nfs/dbraw/zinc/85/44/26/373854426.db2.gz DJRAIENPHHLUJD-NSHDSACASA-N 2 2 252.318 -0.280 20 0 CBADLP C[C@@H](C(=O)N1CCCC[C@@H]1C[NH3+])[NH+]1CCN(C)CC1 ZINC000522002315 373855988 /nfs/dbraw/zinc/85/59/88/373855988.db2.gz SBQXLVSGIXRQER-QWHCGFSZSA-N 2 2 268.405 -0.038 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]2CCC[NH+]2C)CCO1 ZINC000522248456 373864057 /nfs/dbraw/zinc/86/40/57/373864057.db2.gz SDSXAUPSFXZAIT-VXGBXAGGSA-N 2 2 255.362 -0.083 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2CCC[NH+]2C)CCO1 ZINC000522248456 373864066 /nfs/dbraw/zinc/86/40/66/373864066.db2.gz SDSXAUPSFXZAIT-VXGBXAGGSA-N 2 2 255.362 -0.083 20 0 CBADLP C[C@@H]1C[NH+](CCNC(=O)[C@H]2CCC[N@@H+]2C)CCO1 ZINC000522248456 373864072 /nfs/dbraw/zinc/86/40/72/373864072.db2.gz SDSXAUPSFXZAIT-VXGBXAGGSA-N 2 2 255.362 -0.083 20 0 CBADLP C[C@@H]1C[NH+](CCNC(=O)[C@H]2CCC[N@H+]2C)CCO1 ZINC000522248456 373864076 /nfs/dbraw/zinc/86/40/76/373864076.db2.gz SDSXAUPSFXZAIT-VXGBXAGGSA-N 2 2 255.362 -0.083 20 0 CBADLP CC[C@@H]1C[N@H+](CCNC(=O)[C@@H]2C[NH+](C)C[C@H](C)O2)CCO1 ZINC000527551140 373921536 /nfs/dbraw/zinc/92/15/36/373921536.db2.gz DSPSSTPJYJACQS-MJBXVCDLSA-N 2 2 299.415 -0.068 20 0 CBADLP CC[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2C[NH+](C)C[C@H](C)O2)CCO1 ZINC000527551140 373921546 /nfs/dbraw/zinc/92/15/46/373921546.db2.gz DSPSSTPJYJACQS-MJBXVCDLSA-N 2 2 299.415 -0.068 20 0 CBADLP CC[C@@H]1C[NH+](CCNC(=O)[C@@H]2C[N@H+](C)C[C@H](C)O2)CCO1 ZINC000527551140 373921551 /nfs/dbraw/zinc/92/15/51/373921551.db2.gz DSPSSTPJYJACQS-MJBXVCDLSA-N 2 2 299.415 -0.068 20 0 CBADLP CC[C@@H]1C[NH+](CCNC(=O)[C@@H]2C[N@@H+](C)C[C@H](C)O2)CCO1 ZINC000527551140 373921557 /nfs/dbraw/zinc/92/15/57/373921557.db2.gz DSPSSTPJYJACQS-MJBXVCDLSA-N 2 2 299.415 -0.068 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NCC[NH+]1CCOCC1 ZINC000527648976 373932535 /nfs/dbraw/zinc/93/25/35/373932535.db2.gz LQPJVSZHTLDJQT-UHFFFAOYSA-N 2 2 252.318 -0.360 20 0 CBADLP CN(C)c1ccc(CNC(=O)NC[C@H]2COCC[NH2+]2)c[nH+]1 ZINC000529294661 373996956 /nfs/dbraw/zinc/99/69/56/373996956.db2.gz XSEUAPYYGWICOO-LBPRGKRZSA-N 2 2 293.371 -0.065 20 0 CBADLP CCn1cc[nH+]c1CNC(=O)NC[C@H]1COCC[NH2+]1 ZINC000529326807 374002866 /nfs/dbraw/zinc/00/28/66/374002866.db2.gz PAYTVWLFHOYRHS-JTQLQIEISA-N 2 2 267.333 -0.309 20 0 CBADLP CCn1ncc(CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])n1 ZINC000529351263 374010587 /nfs/dbraw/zinc/01/05/87/374010587.db2.gz XPBKBKPBTGUUEV-LLVKDONJSA-N 2 2 281.364 -0.918 20 0 CBADLP CCn1ncc(CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])n1 ZINC000529351263 374010599 /nfs/dbraw/zinc/01/05/99/374010599.db2.gz XPBKBKPBTGUUEV-LLVKDONJSA-N 2 2 281.364 -0.918 20 0 CBADLP CCn1ncc(CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])n1 ZINC000529351265 374010733 /nfs/dbraw/zinc/01/07/33/374010733.db2.gz XPBKBKPBTGUUEV-NSHDSACASA-N 2 2 281.364 -0.918 20 0 CBADLP CCn1ncc(CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])n1 ZINC000529351265 374010741 /nfs/dbraw/zinc/01/07/41/374010741.db2.gz XPBKBKPBTGUUEV-NSHDSACASA-N 2 2 281.364 -0.918 20 0 CBADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1C[C@H](O)C[C@H]1C(N)=O ZINC000528633910 373972042 /nfs/dbraw/zinc/97/20/42/373972042.db2.gz KASPXHWLDYDIPA-UTUOFQBUSA-N 2 2 255.362 -0.219 20 0 CBADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1C[C@H](O)C[C@H]1C(N)=O ZINC000528633910 373972050 /nfs/dbraw/zinc/97/20/50/373972050.db2.gz KASPXHWLDYDIPA-UTUOFQBUSA-N 2 2 255.362 -0.219 20 0 CBADLP C[NH+]1CCCC[C@@H]1CC[N@@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000528633910 373972056 /nfs/dbraw/zinc/97/20/56/373972056.db2.gz KASPXHWLDYDIPA-UTUOFQBUSA-N 2 2 255.362 -0.219 20 0 CBADLP C[NH+]1CCCC[C@@H]1CC[N@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000528633910 373972062 /nfs/dbraw/zinc/97/20/62/373972062.db2.gz KASPXHWLDYDIPA-UTUOFQBUSA-N 2 2 255.362 -0.219 20 0 CBADLP Cc1cc(NC(=O)NC[C@@H]2COCC[NH2+]2)cc[nH+]1 ZINC000528684482 373974493 /nfs/dbraw/zinc/97/44/93/373974493.db2.gz GQQADSMCGASRRV-LLVKDONJSA-N 2 2 250.302 -0.078 20 0 CBADLP Cn1cc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)c(=O)n(C)c1=O ZINC000530177634 374064951 /nfs/dbraw/zinc/06/49/51/374064951.db2.gz LKYAKOVDAUIUOJ-LLVKDONJSA-N 2 2 278.356 -0.542 20 0 CBADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1CCCN(C)C1=O ZINC000530221714 374066578 /nfs/dbraw/zinc/06/65/78/374066578.db2.gz YASYWYUDUHZDKE-UTUOFQBUSA-N 2 2 255.362 -0.036 20 0 CBADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CCCN(C)C1=O ZINC000530221713 374067178 /nfs/dbraw/zinc/06/71/78/374067178.db2.gz YASYWYUDUHZDKE-IJLUTSLNSA-N 2 2 255.362 -0.036 20 0 CBADLP C[NH2+]CCC[N@@H+]1CCCN(C(=O)CNC(C)=O)CC1 ZINC000530231509 374069074 /nfs/dbraw/zinc/06/90/74/374069074.db2.gz IJDCMSKWGDLNGK-UHFFFAOYSA-N 2 2 270.377 -0.734 20 0 CBADLP C[NH2+]CCC[N@H+]1CCCN(C(=O)CNC(C)=O)CC1 ZINC000530231509 374069079 /nfs/dbraw/zinc/06/90/79/374069079.db2.gz IJDCMSKWGDLNGK-UHFFFAOYSA-N 2 2 270.377 -0.734 20 0 CBADLP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000531252130 374121272 /nfs/dbraw/zinc/12/12/72/374121272.db2.gz NCBDZKQDNZMQSS-CYBMUJFWSA-N 3 2 286.420 -0.731 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH+]2CCO[C@@H](C)C2)C1 ZINC000531295610 374127017 /nfs/dbraw/zinc/12/70/17/374127017.db2.gz UGIFWBSAUASQMM-QWHCGFSZSA-N 2 2 285.388 -0.456 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH+]2CCO[C@@H](C)C2)C1 ZINC000531295610 374127019 /nfs/dbraw/zinc/12/70/19/374127019.db2.gz UGIFWBSAUASQMM-QWHCGFSZSA-N 2 2 285.388 -0.456 20 0 CBADLP CC[NH+]1CCO[C@@H](C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)C1 ZINC000531295610 374127023 /nfs/dbraw/zinc/12/70/23/374127023.db2.gz UGIFWBSAUASQMM-QWHCGFSZSA-N 2 2 285.388 -0.456 20 0 CBADLP CC[NH+]1CCO[C@@H](C(=O)NCC[N@H+]2CCO[C@@H](C)C2)C1 ZINC000531295610 374127026 /nfs/dbraw/zinc/12/70/26/374127026.db2.gz UGIFWBSAUASQMM-QWHCGFSZSA-N 2 2 285.388 -0.456 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000552439612 374269087 /nfs/dbraw/zinc/26/90/87/374269087.db2.gz RURDRGCQKUOVDO-RYUDHWBXSA-N 2 2 266.345 -0.514 20 0 CBADLP C[NH+]1CCN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000551824188 374245753 /nfs/dbraw/zinc/24/57/53/374245753.db2.gz DFHRDFOMMXHWIA-LBPRGKRZSA-N 2 2 252.362 -0.850 20 0 CBADLP C[NH+]1CCN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000551824188 374245767 /nfs/dbraw/zinc/24/57/67/374245767.db2.gz DFHRDFOMMXHWIA-LBPRGKRZSA-N 2 2 252.362 -0.850 20 0 CBADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000551842989 374247260 /nfs/dbraw/zinc/24/72/60/374247260.db2.gz RWJFNVNENFTGJW-CHWSQXEVSA-N 2 2 268.405 -0.310 20 0 CBADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000551842989 374247264 /nfs/dbraw/zinc/24/72/64/374247264.db2.gz RWJFNVNENFTGJW-CHWSQXEVSA-N 2 2 268.405 -0.310 20 0 CBADLP Cc1[nH+]cc(C[NH2+]CCC(=O)N2CC[NH+](C)CC2)n1C ZINC000564739044 374327549 /nfs/dbraw/zinc/32/75/49/374327549.db2.gz AMOHULCIFNBWRU-UHFFFAOYSA-N 3 2 279.388 -0.018 20 0 CBADLP CN(Cc1cnn(C)c1)C(=O)C[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000565044983 374328308 /nfs/dbraw/zinc/32/83/08/374328308.db2.gz VEZCUFBKJTWDMH-ZDUSSCGKSA-N 2 2 295.387 -0.572 20 0 CBADLP CN(Cc1cnn(C)c1)C(=O)C[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000565044983 374328315 /nfs/dbraw/zinc/32/83/15/374328315.db2.gz VEZCUFBKJTWDMH-ZDUSSCGKSA-N 2 2 295.387 -0.572 20 0 CBADLP C[C@@H](C(=O)NCC[C@@H]1CC[NH2+]C1)[NH+]1CCN(C)CC1 ZINC000577850999 374339914 /nfs/dbraw/zinc/33/99/14/374339914.db2.gz WVIVUBKBPDUUMM-STQMWFEESA-N 2 2 268.405 -0.262 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)C(C)(C)C(N)=O ZINC000583212147 374358120 /nfs/dbraw/zinc/35/81/20/374358120.db2.gz KNDXQELSSUQSKL-SNVBAGLBSA-N 2 2 261.366 -0.879 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)C(C)(C)C(N)=O ZINC000583212147 374358128 /nfs/dbraw/zinc/35/81/28/374358128.db2.gz KNDXQELSSUQSKL-SNVBAGLBSA-N 2 2 261.366 -0.879 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)C(C)(C)C(N)=O ZINC000583212147 374358132 /nfs/dbraw/zinc/35/81/32/374358132.db2.gz KNDXQELSSUQSKL-SNVBAGLBSA-N 2 2 261.366 -0.879 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)C(C)(C)C(N)=O ZINC000583212147 374358136 /nfs/dbraw/zinc/35/81/36/374358136.db2.gz KNDXQELSSUQSKL-SNVBAGLBSA-N 2 2 261.366 -0.879 20 0 CBADLP C[C@H]1COCCN1CC[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000583495024 374363642 /nfs/dbraw/zinc/36/36/42/374363642.db2.gz NVANSKCSRGYGMJ-JSGCOSHPSA-N 2 2 271.405 -0.248 20 0 CBADLP C[C@H]1COCCN1CC[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000583495024 374363644 /nfs/dbraw/zinc/36/36/44/374363644.db2.gz NVANSKCSRGYGMJ-JSGCOSHPSA-N 2 2 271.405 -0.248 20 0 CBADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCO[C@H]2C2CC2)[C@H](C[NH3+])C1 ZINC000583742293 374365742 /nfs/dbraw/zinc/36/57/42/374365742.db2.gz FCVXLJYZRMFEOB-UPJWGTAASA-N 2 2 282.388 -0.162 20 0 CBADLP C[N@H+]1CCN(C(=O)N[C@@H]2CCO[C@H]2C2CC2)[C@H](C[NH3+])C1 ZINC000583742293 374365747 /nfs/dbraw/zinc/36/57/47/374365747.db2.gz FCVXLJYZRMFEOB-UPJWGTAASA-N 2 2 282.388 -0.162 20 0 CBADLP C[C@@H]([NH3+])C1CCN(C(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000584409008 374370827 /nfs/dbraw/zinc/37/08/27/374370827.db2.gz OVJLTGPPONDCCZ-SNVBAGLBSA-N 2 2 268.361 -0.996 20 0 CBADLP C[N@@H+]1CCN(C(=O)NCCOCC2CC2)[C@@H](C[NH3+])C1 ZINC000577942125 374346525 /nfs/dbraw/zinc/34/65/25/374346525.db2.gz VEEVXAHSQCIAKJ-LBPRGKRZSA-N 2 2 270.377 -0.303 20 0 CBADLP C[N@H+]1CCN(C(=O)NCCOCC2CC2)[C@@H](C[NH3+])C1 ZINC000577942125 374346530 /nfs/dbraw/zinc/34/65/30/374346530.db2.gz VEEVXAHSQCIAKJ-LBPRGKRZSA-N 2 2 270.377 -0.303 20 0 CBADLP O[C@H]1CC[N@@H+]([C@H]2CCC[C@H]2[NH2+]CCN2CCOCC2)C1 ZINC000643961892 374463234 /nfs/dbraw/zinc/46/32/34/374463234.db2.gz IRQHQQMQCICPGV-ZNMIVQPWSA-N 2 2 283.416 -0.104 20 0 CBADLP O[C@H]1CC[N@H+]([C@H]2CCC[C@H]2[NH2+]CCN2CCOCC2)C1 ZINC000643961892 374463244 /nfs/dbraw/zinc/46/32/44/374463244.db2.gz IRQHQQMQCICPGV-ZNMIVQPWSA-N 2 2 283.416 -0.104 20 0 CBADLP CC[C@@H]([NH3+])C(=O)N1CC[N@H+](CCC(=O)OC)[C@H](C)C1 ZINC000574520686 335026384 /nfs/dbraw/zinc/02/63/84/335026384.db2.gz JZBWLKXKIIIQTO-GHMZBOCLSA-N 2 2 271.361 -0.181 20 0 CBADLP CC[C@@H]([NH3+])C(=O)N1CC[N@@H+](CCC(=O)OC)[C@H](C)C1 ZINC000574520686 335026385 /nfs/dbraw/zinc/02/63/85/335026385.db2.gz JZBWLKXKIIIQTO-GHMZBOCLSA-N 2 2 271.361 -0.181 20 0 CBADLP COCCN1CC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000644554022 374592796 /nfs/dbraw/zinc/59/27/96/374592796.db2.gz FMYCYTITOFWGIG-GXTWGEPZSA-N 2 2 271.405 -0.248 20 0 CBADLP COCCN1CC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000644554022 374592800 /nfs/dbraw/zinc/59/28/00/374592800.db2.gz FMYCYTITOFWGIG-GXTWGEPZSA-N 2 2 271.405 -0.248 20 0 CBADLP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000644548883 374593302 /nfs/dbraw/zinc/59/33/02/374593302.db2.gz UHKGZQNYNMNYBY-DZGCQCFKSA-N 3 2 284.448 -0.333 20 0 CBADLP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000644548883 374593306 /nfs/dbraw/zinc/59/33/06/374593306.db2.gz UHKGZQNYNMNYBY-DZGCQCFKSA-N 3 2 284.448 -0.333 20 0 CBADLP CC[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)C(=O)N1CCOCC1 ZINC000644586163 374599308 /nfs/dbraw/zinc/59/93/08/374599308.db2.gz MJIKWYSVNFLEEF-ZIAGYGMSSA-N 2 2 299.415 -0.332 20 0 CBADLP CC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)C(=O)N1CCOCC1 ZINC000644586163 374599314 /nfs/dbraw/zinc/59/93/14/374599314.db2.gz MJIKWYSVNFLEEF-ZIAGYGMSSA-N 2 2 299.415 -0.332 20 0 CBADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CCCn2ccnn2)C[C@@H](C)O1 ZINC000644620232 374602971 /nfs/dbraw/zinc/60/29/71/374602971.db2.gz AOSOBWOAJNYFPN-MGPQQGTHSA-N 2 2 297.403 -0.272 20 0 CBADLP O=C([C@@H]1CCC[NH2+]C1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000062976780 284478032 /nfs/dbraw/zinc/47/80/32/284478032.db2.gz QPJWNMWDZUBEPL-OLZOCXBDSA-N 2 2 267.373 -0.081 20 0 CBADLP CN(C)c1[nH+]cc(C[NH2+]C[C@H](O)[C@@H]2CCOC2)n1C ZINC000644902234 374632186 /nfs/dbraw/zinc/63/21/86/374632186.db2.gz GUDUVJXWJNFPRE-PWSUYJOCSA-N 2 2 268.361 -0.027 20 0 CBADLP CN(C)c1[nH+]cc(C[NH2+]C[C@H](O)[C@H]2CCOC2)n1C ZINC000644902232 374632476 /nfs/dbraw/zinc/63/24/76/374632476.db2.gz GUDUVJXWJNFPRE-JQWIXIFHSA-N 2 2 268.361 -0.027 20 0 CBADLP C[N@H+]1C[C@H]2[C@@H](CCN2C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000644734677 374615688 /nfs/dbraw/zinc/61/56/88/374615688.db2.gz OPWAMCJWBKKODQ-IHRRRGAJSA-N 2 2 269.389 -0.685 20 0 CBADLP C[N@@H+]1C[C@H]2[C@@H](CCN2C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000644734677 374615692 /nfs/dbraw/zinc/61/56/92/374615692.db2.gz OPWAMCJWBKKODQ-IHRRRGAJSA-N 2 2 269.389 -0.685 20 0 CBADLP CC[NH+](CC)[C@H](C)CNC(=O)CN1CC[NH2+]CC1=O ZINC000645472415 374673217 /nfs/dbraw/zinc/67/32/17/374673217.db2.gz GQXCLZOQHCUQAK-LLVKDONJSA-N 2 2 270.377 -0.735 20 0 CBADLP CN(C)c1[nH+]cccc1CNC(=O)COCC[NH3+] ZINC000645492472 374677209 /nfs/dbraw/zinc/67/72/09/374677209.db2.gz SKNTZPOXRVUZSM-UHFFFAOYSA-N 2 2 252.318 -0.261 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000645932840 374712834 /nfs/dbraw/zinc/71/28/34/374712834.db2.gz MJEYRIWRPBNEFE-QWRGUYRKSA-N 2 2 255.362 -0.179 20 0 CBADLP CO[C@H](C[NH3+])C(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000645944071 374714982 /nfs/dbraw/zinc/71/49/82/374714982.db2.gz JVJNWWAQOICWSV-LLVKDONJSA-N 2 2 281.360 -0.962 20 0 CBADLP CO[C@H](C[NH3+])CC(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000645944003 374715905 /nfs/dbraw/zinc/71/59/05/374715905.db2.gz CIWZXWZKBSNAQG-LBPRGKRZSA-N 2 2 295.387 -0.572 20 0 CBADLP O=C(Nc1cc[nH+]cc1O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000645952554 374717842 /nfs/dbraw/zinc/71/78/42/374717842.db2.gz YCKTYRMUSDKVJI-SECBINFHSA-N 2 2 288.311 -0.023 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@H]3C[C@H](F)C[NH2+]3)C2)CC1 ZINC000645977465 374720577 /nfs/dbraw/zinc/72/05/77/374720577.db2.gz AFBSYOGEJCXHPT-SGMGOOAPSA-N 3 2 298.406 -0.029 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@H]3C[C@H](F)C[NH2+]3)C2)CC1 ZINC000645977465 374720583 /nfs/dbraw/zinc/72/05/83/374720583.db2.gz AFBSYOGEJCXHPT-SGMGOOAPSA-N 3 2 298.406 -0.029 20 0 CBADLP Cc1nc(N2CCN(C(=O)COCC[NH3+])CC2)cc[nH+]1 ZINC000646481215 374780773 /nfs/dbraw/zinc/78/07/73/374780773.db2.gz CTLBNQSHZCXRIT-UHFFFAOYSA-N 2 2 279.344 -0.591 20 0 CBADLP [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)CN1CC[NH2+]CC1=O ZINC000647072207 374879197 /nfs/dbraw/zinc/87/91/97/374879197.db2.gz QFPNRQNXWAQDMY-QLHKPRNWSA-N 2 2 280.372 -0.950 20 0 CBADLP COc1ncncc1C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000647202188 374891678 /nfs/dbraw/zinc/89/16/78/374891678.db2.gz PPWDQEYLRMOLCM-GFCCVEGCSA-N 2 2 252.318 -0.359 20 0 CBADLP COc1ncncc1C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000647202188 374891680 /nfs/dbraw/zinc/89/16/80/374891680.db2.gz PPWDQEYLRMOLCM-GFCCVEGCSA-N 2 2 252.318 -0.359 20 0 CBADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CO1 ZINC000647185277 374892429 /nfs/dbraw/zinc/89/24/29/374892429.db2.gz WQZLMTHMBRUGMH-MGPQQGTHSA-N 2 2 297.399 -0.314 20 0 CBADLP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000646925949 374842006 /nfs/dbraw/zinc/84/20/06/374842006.db2.gz XILDOHMBXPJVHG-SRVKXCTJSA-N 2 2 253.346 -0.521 20 0 CBADLP C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000646925949 374842007 /nfs/dbraw/zinc/84/20/07/374842007.db2.gz XILDOHMBXPJVHG-SRVKXCTJSA-N 2 2 253.346 -0.521 20 0 CBADLP C[NH+]1C[C@H]2[C@@H](CCN2C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000646925949 374842013 /nfs/dbraw/zinc/84/20/13/374842013.db2.gz XILDOHMBXPJVHG-SRVKXCTJSA-N 2 2 253.346 -0.521 20 0 CBADLP C[NH+]1C[C@H]2[C@@H](CCN2C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000646925949 374842015 /nfs/dbraw/zinc/84/20/15/374842015.db2.gz XILDOHMBXPJVHG-SRVKXCTJSA-N 2 2 253.346 -0.521 20 0 CBADLP CC[C@H]1CN(C(=O)CN2CC[NH2+]CC2=O)CC[C@@H]1[NH3+] ZINC000647014710 374860554 /nfs/dbraw/zinc/86/05/54/374860554.db2.gz AMDFCJWYEBCQMI-QWRGUYRKSA-N 2 2 268.361 -0.996 20 0 CBADLP C[C@H]1CC[N@H+](CC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)C1 ZINC000574582607 335031715 /nfs/dbraw/zinc/03/17/15/335031715.db2.gz JSMLVAAJDXNPOY-DZGCQCFKSA-N 2 2 299.415 -0.472 20 0 CBADLP C[C@H]1CC[N@@H+](CC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)C1 ZINC000574582607 335031716 /nfs/dbraw/zinc/03/17/16/335031716.db2.gz JSMLVAAJDXNPOY-DZGCQCFKSA-N 2 2 299.415 -0.472 20 0 CBADLP CO[C@@H](C[NH3+])C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000289481463 197368561 /nfs/dbraw/zinc/36/85/61/197368561.db2.gz BWCZPWOAJVFFDV-NSHDSACASA-N 2 2 262.313 -0.033 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000262105340 190048619 /nfs/dbraw/zinc/04/86/19/190048619.db2.gz FAMTUUIHJDQLGR-AXFHLTTASA-N 2 2 252.318 -0.235 20 0 CBADLP O=C(NCC[N@@H+]1CCc2sccc2C1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000262361276 190053874 /nfs/dbraw/zinc/05/38/74/190053874.db2.gz IPJYTUPHMSWWKQ-VXGBXAGGSA-N 2 2 295.408 -0.055 20 0 CBADLP O=C(NCC[N@H+]1CCc2sccc2C1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000262361276 190053875 /nfs/dbraw/zinc/05/38/75/190053875.db2.gz IPJYTUPHMSWWKQ-VXGBXAGGSA-N 2 2 295.408 -0.055 20 0 CBADLP O=C(NCCCNc1cccc[nH+]1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000262485716 190056212 /nfs/dbraw/zinc/05/62/12/190056212.db2.gz YRAIXBBYMZEDAJ-WDEREUQCSA-N 2 2 264.329 -0.277 20 0 CBADLP O=C([C@H]1CC[NH2+]C1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000062976712 284566476 /nfs/dbraw/zinc/56/64/76/284566476.db2.gz BONGVBYNAQAAPB-RYUDHWBXSA-N 2 2 253.346 -0.471 20 0 CBADLP COCC[N@@H+]1CC[C@H](NC(=O)NCCn2cc[nH+]c2)C1 ZINC000264524450 190115574 /nfs/dbraw/zinc/11/55/74/190115574.db2.gz WYMXQDDOTPCABX-LBPRGKRZSA-N 2 2 281.360 -0.097 20 0 CBADLP COCC[N@H+]1CC[C@H](NC(=O)NCCn2cc[nH+]c2)C1 ZINC000264524450 190115575 /nfs/dbraw/zinc/11/55/75/190115575.db2.gz WYMXQDDOTPCABX-LBPRGKRZSA-N 2 2 281.360 -0.097 20 0 CBADLP COCC[N@@H+]1CC[C@@H](NC(=O)NCCn2cc[nH+]c2)C1 ZINC000264524449 190115606 /nfs/dbraw/zinc/11/56/06/190115606.db2.gz WYMXQDDOTPCABX-GFCCVEGCSA-N 2 2 281.360 -0.097 20 0 CBADLP COCC[N@H+]1CC[C@@H](NC(=O)NCCn2cc[nH+]c2)C1 ZINC000264524449 190115607 /nfs/dbraw/zinc/11/56/07/190115607.db2.gz WYMXQDDOTPCABX-GFCCVEGCSA-N 2 2 281.360 -0.097 20 0 CBADLP CC[N@@H+](C)CCNC(=O)NCC[NH+]1CCOC[C@@H]1C ZINC000356210896 248213752 /nfs/dbraw/zinc/21/37/52/248213752.db2.gz UYDJAMVXMGYDKO-LBPRGKRZSA-N 2 2 272.393 -0.042 20 0 CBADLP CC[NH+](C)CCNC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000356210896 248213756 /nfs/dbraw/zinc/21/37/56/248213756.db2.gz UYDJAMVXMGYDKO-LBPRGKRZSA-N 2 2 272.393 -0.042 20 0 CBADLP CC[NH+](C)CCNC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000356210896 248213758 /nfs/dbraw/zinc/21/37/58/248213758.db2.gz UYDJAMVXMGYDKO-LBPRGKRZSA-N 2 2 272.393 -0.042 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](C[C@@H](C)O)CC2)C1 ZINC000356462692 248253465 /nfs/dbraw/zinc/25/34/65/248253465.db2.gz PEBYISMLYQDPBI-OLZOCXBDSA-N 2 2 285.388 -0.768 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[NH+](C[C@@H](C)O)CC2)C1 ZINC000356462692 248253470 /nfs/dbraw/zinc/25/34/70/248253470.db2.gz PEBYISMLYQDPBI-OLZOCXBDSA-N 2 2 285.388 -0.768 20 0 CBADLP Cc1nnc([C@@H]2C[N@H+](CCOCC[NH3+])CCO2)[nH]1 ZINC000357066138 248314966 /nfs/dbraw/zinc/31/49/66/248314966.db2.gz BPWLMPGBZSSBMR-JTQLQIEISA-N 2 2 255.322 -0.538 20 0 CBADLP Cc1nnc([C@@H]2C[N@@H+](CCOCC[NH3+])CCO2)[nH]1 ZINC000357066138 248314970 /nfs/dbraw/zinc/31/49/70/248314970.db2.gz BPWLMPGBZSSBMR-JTQLQIEISA-N 2 2 255.322 -0.538 20 0 CBADLP CCS(=O)(=O)NCC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357081320 248319496 /nfs/dbraw/zinc/31/94/96/248319496.db2.gz NSXDKJDOAYPQBM-GHMZBOCLSA-N 2 2 261.391 -0.533 20 0 CBADLP CCS(=O)(=O)NCC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357081320 248319500 /nfs/dbraw/zinc/31/95/00/248319500.db2.gz NSXDKJDOAYPQBM-GHMZBOCLSA-N 2 2 261.391 -0.533 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](CCO)[C@@H](C)C2)C1 ZINC000356533892 248264737 /nfs/dbraw/zinc/26/47/37/248264737.db2.gz XGGZNUFABYRTEF-STQMWFEESA-N 2 2 285.388 -0.768 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[NH+](CCO)[C@@H](C)C2)C1 ZINC000356533892 248264741 /nfs/dbraw/zinc/26/47/41/248264741.db2.gz XGGZNUFABYRTEF-STQMWFEESA-N 2 2 285.388 -0.768 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)C1 ZINC000356533892 248264745 /nfs/dbraw/zinc/26/47/45/248264745.db2.gz XGGZNUFABYRTEF-STQMWFEESA-N 2 2 285.388 -0.768 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)C1 ZINC000356533892 248264749 /nfs/dbraw/zinc/26/47/49/248264749.db2.gz XGGZNUFABYRTEF-STQMWFEESA-N 2 2 285.388 -0.768 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](CCO)[C@H](C)C2)C1 ZINC000356533887 248265127 /nfs/dbraw/zinc/26/51/27/248265127.db2.gz XGGZNUFABYRTEF-OLZOCXBDSA-N 2 2 285.388 -0.768 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[NH+](CCO)[C@H](C)C2)C1 ZINC000356533887 248265129 /nfs/dbraw/zinc/26/51/29/248265129.db2.gz XGGZNUFABYRTEF-OLZOCXBDSA-N 2 2 285.388 -0.768 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)N2CC[N@H+](CCO)[C@H](C)C2)C1 ZINC000356533887 248265132 /nfs/dbraw/zinc/26/51/32/248265132.db2.gz XGGZNUFABYRTEF-OLZOCXBDSA-N 2 2 285.388 -0.768 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)C1 ZINC000356533887 248265135 /nfs/dbraw/zinc/26/51/35/248265135.db2.gz XGGZNUFABYRTEF-OLZOCXBDSA-N 2 2 285.388 -0.768 20 0 CBADLP C[C@H](C[NH3+])C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000357251355 248341928 /nfs/dbraw/zinc/34/19/28/248341928.db2.gz UTEPLXGLVQOZCC-GFCCVEGCSA-N 2 2 296.415 -0.358 20 0 CBADLP C[C@@H]1C[N@H+](C)CCN1CC(=O)N1CC[NH+](C)CC1 ZINC000357330575 248349148 /nfs/dbraw/zinc/34/91/48/248349148.db2.gz HKPOSTSOLGEGGO-GFCCVEGCSA-N 2 2 254.378 -0.604 20 0 CBADLP C[C@@H]1C[N@@H+](C)CCN1CC(=O)N1CC[NH+](C)CC1 ZINC000357330575 248349153 /nfs/dbraw/zinc/34/91/53/248349153.db2.gz HKPOSTSOLGEGGO-GFCCVEGCSA-N 2 2 254.378 -0.604 20 0 CBADLP C[C@@H]1[C@H](C)N(CC(=O)N2CC[NH+](C)CC2)CC[N@H+]1C ZINC000357610428 248380468 /nfs/dbraw/zinc/38/04/68/248380468.db2.gz NXJCQBGANRBVET-OLZOCXBDSA-N 2 2 268.405 -0.215 20 0 CBADLP C[C@@H]1[C@H](C)N(CC(=O)N2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000357610428 248380474 /nfs/dbraw/zinc/38/04/74/248380474.db2.gz NXJCQBGANRBVET-OLZOCXBDSA-N 2 2 268.405 -0.215 20 0 CBADLP C[C@@H]1C[N@H+](C)[C@@H](C)CN1CC(=O)N1CC[NH+](C)CC1 ZINC000357617336 248380543 /nfs/dbraw/zinc/38/05/43/248380543.db2.gz OGQJIKYTCOWUPR-QWHCGFSZSA-N 2 2 268.405 -0.215 20 0 CBADLP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1CC(=O)N1CC[NH+](C)CC1 ZINC000357617336 248380549 /nfs/dbraw/zinc/38/05/49/248380549.db2.gz OGQJIKYTCOWUPR-QWHCGFSZSA-N 2 2 268.405 -0.215 20 0 CBADLP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000368681793 248770031 /nfs/dbraw/zinc/77/00/31/248770031.db2.gz AXVMNWXAYFVZDL-STQMWFEESA-N 2 2 269.389 -0.243 20 0 CBADLP C[NH+](C)CC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000265023854 190152879 /nfs/dbraw/zinc/15/28/79/190152879.db2.gz FFMKELOOUZBESP-UHFFFAOYSA-N 2 2 251.334 -0.385 20 0 CBADLP COCC[N@@H+]1CC[C@H](NC(=O)NCc2[nH+]ccn2C)C1 ZINC000265515574 190187695 /nfs/dbraw/zinc/18/76/95/190187695.db2.gz GWZMDIJUTGZSSV-NSHDSACASA-N 2 2 281.360 -0.060 20 0 CBADLP COCC[N@H+]1CC[C@H](NC(=O)NCc2[nH+]ccn2C)C1 ZINC000265515574 190187696 /nfs/dbraw/zinc/18/76/96/190187696.db2.gz GWZMDIJUTGZSSV-NSHDSACASA-N 2 2 281.360 -0.060 20 0 CBADLP CN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@H]1C[NH+]2CCC1CC2 ZINC000346958911 218069388 /nfs/dbraw/zinc/06/93/88/218069388.db2.gz DDMOPBRRSOCDMW-STQMWFEESA-N 2 2 267.373 -0.130 20 0 CBADLP CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@H]1C[NH+]2CCC1CC2 ZINC000346958911 218069390 /nfs/dbraw/zinc/06/93/90/218069390.db2.gz DDMOPBRRSOCDMW-STQMWFEESA-N 2 2 267.373 -0.130 20 0 CBADLP CCNS(=O)(=O)[C@@H]1CC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000346986093 218079429 /nfs/dbraw/zinc/07/94/29/218079429.db2.gz RQPNTXDUZCTRSP-NWDGAFQWSA-N 2 2 275.418 0.000 20 0 CBADLP CCNS(=O)(=O)[C@@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000346986093 218079431 /nfs/dbraw/zinc/07/94/31/218079431.db2.gz RQPNTXDUZCTRSP-NWDGAFQWSA-N 2 2 275.418 0.000 20 0 CBADLP CC(C)(C(N)=O)[NH+]1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000346988450 218081713 /nfs/dbraw/zinc/08/17/13/218081713.db2.gz RAAXRPSEYCLDCP-LBPRGKRZSA-N 2 2 268.405 -0.133 20 0 CBADLP CC(C)(C(N)=O)N1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000346988450 218081715 /nfs/dbraw/zinc/08/17/15/218081715.db2.gz RAAXRPSEYCLDCP-LBPRGKRZSA-N 2 2 268.405 -0.133 20 0 CBADLP Cc1n[nH]cc1C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000347098969 218121281 /nfs/dbraw/zinc/12/12/81/218121281.db2.gz IZUUFUZXAVJYCQ-UHFFFAOYSA-N 2 2 251.334 -0.418 20 0 CBADLP Cc1n[nH]cc1C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000347098969 218121283 /nfs/dbraw/zinc/12/12/83/218121283.db2.gz IZUUFUZXAVJYCQ-UHFFFAOYSA-N 2 2 251.334 -0.418 20 0 CBADLP COC(=O)[C@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)[C@H]1C ZINC000347213473 218157867 /nfs/dbraw/zinc/15/78/67/218157867.db2.gz PPSQHNHVTRQSGZ-RYUDHWBXSA-N 2 2 283.372 -0.356 20 0 CBADLP COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)[C@H]1C ZINC000347213473 218157869 /nfs/dbraw/zinc/15/78/69/218157869.db2.gz PPSQHNHVTRQSGZ-RYUDHWBXSA-N 2 2 283.372 -0.356 20 0 CBADLP [NH3+]CC(=O)NCC(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000347626584 218297017 /nfs/dbraw/zinc/29/70/17/218297017.db2.gz RSHRGKVTVWECQA-UHFFFAOYSA-N 2 2 295.730 -0.321 20 0 CBADLP Cc1[nH+]ccn1CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000266856693 190285374 /nfs/dbraw/zinc/28/53/74/190285374.db2.gz QXVDEFVIIBERHY-NSHDSACASA-N 2 2 252.318 -0.362 20 0 CBADLP Cc1[nH+]ccn1CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000266856693 190285375 /nfs/dbraw/zinc/28/53/75/190285375.db2.gz QXVDEFVIIBERHY-NSHDSACASA-N 2 2 252.318 -0.362 20 0 CBADLP Cn1cc[nH+]c1N1CC[NH+](CCN2C(=O)CCC2=O)CC1 ZINC000266962994 190293730 /nfs/dbraw/zinc/29/37/30/190293730.db2.gz XEOURTFJPOUHDU-UHFFFAOYSA-N 2 2 291.355 -0.309 20 0 CBADLP CC(=O)NC[C@@H]1C[N@H+](CCc2c[nH+]cn2C)CCO1 ZINC000347760483 218348435 /nfs/dbraw/zinc/34/84/35/218348435.db2.gz UFQVDLRHZXGWGS-CYBMUJFWSA-N 2 2 266.345 -0.201 20 0 CBADLP CC(=O)NC[C@@H]1C[N@@H+](CCc2c[nH+]cn2C)CCO1 ZINC000347760483 218348437 /nfs/dbraw/zinc/34/84/37/218348437.db2.gz UFQVDLRHZXGWGS-CYBMUJFWSA-N 2 2 266.345 -0.201 20 0 CBADLP CCn1cc(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)cn1 ZINC000050541300 207355457 /nfs/dbraw/zinc/35/54/57/207355457.db2.gz NPFHCHWPRASESN-UHFFFAOYSA-N 2 2 265.361 -0.233 20 0 CBADLP CCn1cc(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)cn1 ZINC000050541300 207355461 /nfs/dbraw/zinc/35/54/61/207355461.db2.gz NPFHCHWPRASESN-UHFFFAOYSA-N 2 2 265.361 -0.233 20 0 CBADLP C[C@@H](NC(=O)[C@@H]1C[NH2+]CCO1)[C@@H](C)[NH+]1CCOCC1 ZINC000167693640 207398203 /nfs/dbraw/zinc/39/82/03/207398203.db2.gz VPBXLDHBHRSOKQ-UTUOFQBUSA-N 2 2 271.361 -0.800 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+](CCCCO)C2CC2)CC1 ZINC000093175747 184653579 /nfs/dbraw/zinc/65/35/79/184653579.db2.gz OQCSORATYOQONJ-UHFFFAOYSA-N 2 2 269.389 -0.003 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+](CCCCO)C2CC2)CC1 ZINC000093175747 184653580 /nfs/dbraw/zinc/65/35/80/184653580.db2.gz OQCSORATYOQONJ-UHFFFAOYSA-N 2 2 269.389 -0.003 20 0 CBADLP C[NH2+]C[C@@H](C)CNC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000417026432 207550502 /nfs/dbraw/zinc/55/05/02/207550502.db2.gz MHLRZKUUYYYHQN-NEPJUHHUSA-N 2 2 272.393 -0.138 20 0 CBADLP COC(=O)CN(C)C(=O)CC[N@H+](C1CC1)[C@H]1CC[NH2+]C1 ZINC000420313965 207813173 /nfs/dbraw/zinc/81/31/73/207813173.db2.gz JOBFOHHENJZBPH-LBPRGKRZSA-N 2 2 283.372 -0.166 20 0 CBADLP COC(=O)CN(C)C(=O)CC[N@@H+](C1CC1)[C@H]1CC[NH2+]C1 ZINC000420313965 207813176 /nfs/dbraw/zinc/81/31/76/207813176.db2.gz JOBFOHHENJZBPH-LBPRGKRZSA-N 2 2 283.372 -0.166 20 0 CBADLP CC[NH+]1CCN(CC(=O)NCC(F)(F)C[NH3+])CC1 ZINC000427137073 208056032 /nfs/dbraw/zinc/05/60/32/208056032.db2.gz QVFXYFSLEFJBDA-UHFFFAOYSA-N 2 2 264.320 -0.666 20 0 CBADLP C[C@H](C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1)[NH+]1CCOCC1 ZINC000427792466 208070417 /nfs/dbraw/zinc/07/04/17/208070417.db2.gz JACUEKMMPJJUPG-UPJWGTAASA-N 2 2 267.373 -0.273 20 0 CBADLP C[C@H](C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1)[NH+]1CCOCC1 ZINC000427792466 208070420 /nfs/dbraw/zinc/07/04/20/208070420.db2.gz JACUEKMMPJJUPG-UPJWGTAASA-N 2 2 267.373 -0.273 20 0 CBADLP CC[C@H]1C[N@H+](CCNC(=O)[C@@H]2C[NH+](C)CCO2)CCO1 ZINC000428086315 208077490 /nfs/dbraw/zinc/07/74/90/208077490.db2.gz BCIIOVKLXFLWRK-STQMWFEESA-N 2 2 285.388 -0.456 20 0 CBADLP CC[C@H]1C[N@@H+](CCNC(=O)[C@@H]2C[NH+](C)CCO2)CCO1 ZINC000428086315 208077496 /nfs/dbraw/zinc/07/74/96/208077496.db2.gz BCIIOVKLXFLWRK-STQMWFEESA-N 2 2 285.388 -0.456 20 0 CBADLP CC[C@H]1C[NH+](CCNC(=O)[C@@H]2C[N@H+](C)CCO2)CCO1 ZINC000428086315 208077505 /nfs/dbraw/zinc/07/75/05/208077505.db2.gz BCIIOVKLXFLWRK-STQMWFEESA-N 2 2 285.388 -0.456 20 0 CBADLP CC[C@H]1C[NH+](CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)CCO1 ZINC000428086315 208077508 /nfs/dbraw/zinc/07/75/08/208077508.db2.gz BCIIOVKLXFLWRK-STQMWFEESA-N 2 2 285.388 -0.456 20 0 CBADLP CC[NH+]1CCN(CC(=O)N2CC[NH+](C[C@H](C)O)CC2)CC1 ZINC000428498560 208089110 /nfs/dbraw/zinc/08/91/10/208089110.db2.gz XGEFYWSQLISPQZ-AWEZNQCLSA-N 2 2 298.431 -0.851 20 0 CBADLP C[C@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)CC[N@@H+]1CCO ZINC000428535952 208090563 /nfs/dbraw/zinc/09/05/63/208090563.db2.gz ICLOQLHKXVOFMC-NSHDSACASA-N 2 2 296.371 -0.125 20 0 CBADLP C[C@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)CC[N@H+]1CCO ZINC000428535952 208090568 /nfs/dbraw/zinc/09/05/68/208090568.db2.gz ICLOQLHKXVOFMC-NSHDSACASA-N 2 2 296.371 -0.125 20 0 CBADLP CC[NH+]1CCN(CC(=O)N2CC[N@H+](CCO)[C@H](C)C2)CC1 ZINC000428519608 208090633 /nfs/dbraw/zinc/09/06/33/208090633.db2.gz PPCVWIZSELTJJS-CQSZACIVSA-N 2 2 298.431 -0.851 20 0 CBADLP CC[NH+]1CCN(CC(=O)N2CC[N@@H+](CCO)[C@H](C)C2)CC1 ZINC000428519608 208090637 /nfs/dbraw/zinc/09/06/37/208090637.db2.gz PPCVWIZSELTJJS-CQSZACIVSA-N 2 2 298.431 -0.851 20 0 CBADLP C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)CC[N@@H+]1CCO ZINC000428535950 208091289 /nfs/dbraw/zinc/09/12/89/208091289.db2.gz ICLOQLHKXVOFMC-LLVKDONJSA-N 2 2 296.371 -0.125 20 0 CBADLP C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)CC[N@H+]1CCO ZINC000428535950 208091293 /nfs/dbraw/zinc/09/12/93/208091293.db2.gz ICLOQLHKXVOFMC-LLVKDONJSA-N 2 2 296.371 -0.125 20 0 CBADLP C[C@H](C(=O)N1CCC[C@H](C[NH3+])C1)[NH+]1CCOCC1 ZINC000428538971 208091921 /nfs/dbraw/zinc/09/19/21/208091921.db2.gz OXZLYBZHGPGQRD-VXGBXAGGSA-N 2 2 255.362 -0.096 20 0 CBADLP C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000429493191 208124586 /nfs/dbraw/zinc/12/45/86/208124586.db2.gz HBZRVZYZVQVPHF-VXGBXAGGSA-N 2 2 255.362 -0.083 20 0 CBADLP CC(C)[C@@H]1C(=O)NCC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000429672480 208128495 /nfs/dbraw/zinc/12/84/95/208128495.db2.gz DSQMGNFNWVZYIM-CQSZACIVSA-N 2 2 296.415 -0.393 20 0 CBADLP CC(C)[C@@H]1C(=O)NCC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000429672480 208128498 /nfs/dbraw/zinc/12/84/98/208128498.db2.gz DSQMGNFNWVZYIM-CQSZACIVSA-N 2 2 296.415 -0.393 20 0 CBADLP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)CC(=O)NC(C)(C)C ZINC000429671374 208129535 /nfs/dbraw/zinc/12/95/35/208129535.db2.gz KPWYRAYRGDBRKK-UHFFFAOYSA-N 2 2 298.431 -0.003 20 0 CBADLP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)CC(=O)NC(C)(C)C ZINC000429671374 208129538 /nfs/dbraw/zinc/12/95/38/208129538.db2.gz KPWYRAYRGDBRKK-UHFFFAOYSA-N 2 2 298.431 -0.003 20 0 CBADLP C[C@@H](C(=O)NCC[C@@H]1CC[NH2+]C1)[NH+]1CCOCC1 ZINC000429118817 208109826 /nfs/dbraw/zinc/10/98/26/208109826.db2.gz WXOBSONHXNCUDA-RYUDHWBXSA-N 2 2 255.362 -0.177 20 0 CBADLP CCC[N@H+](CC(N)=O)CC(=O)NC1CC[NH+](CC)CC1 ZINC000429148615 208112835 /nfs/dbraw/zinc/11/28/35/208112835.db2.gz DDTCPDZYAZPMDH-UHFFFAOYSA-N 2 2 284.404 -0.216 20 0 CBADLP CCC[N@@H+](CC(N)=O)CC(=O)NC1CC[NH+](CC)CC1 ZINC000429148615 208112839 /nfs/dbraw/zinc/11/28/39/208112839.db2.gz DDTCPDZYAZPMDH-UHFFFAOYSA-N 2 2 284.404 -0.216 20 0 CBADLP C[NH2+]C1CCN(C(=O)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000429370759 208119914 /nfs/dbraw/zinc/11/99/14/208119914.db2.gz FORHTXRBUVNTSV-LLVKDONJSA-N 2 2 255.362 -0.083 20 0 CBADLP C[NH2+]C1CCN(C(=O)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000429370760 208120323 /nfs/dbraw/zinc/12/03/23/208120323.db2.gz FORHTXRBUVNTSV-NSHDSACASA-N 2 2 255.362 -0.083 20 0 CBADLP Cc1cccc(NCCNC(=O)CN2CC[NH2+]CC2=O)[nH+]1 ZINC000430725523 208176824 /nfs/dbraw/zinc/17/68/24/208176824.db2.gz XLOKQBVJEDAFPG-UHFFFAOYSA-N 2 2 291.355 -0.650 20 0 CBADLP COC[C@H](C)NC(=O)NC(=O)C[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000430577612 208164687 /nfs/dbraw/zinc/16/46/87/208164687.db2.gz ZDDQGVQLXBXOIN-TVQRCGJNSA-N 2 2 286.376 -0.436 20 0 CBADLP [NH3+]C1CC[NH+](CC(=O)NC(=O)NCC(F)(F)F)CC1 ZINC000430589293 208166506 /nfs/dbraw/zinc/16/65/06/208166506.db2.gz DKIWXLOXVALQMH-UHFFFAOYSA-N 2 2 282.266 -0.202 20 0 CBADLP COCCCS(=O)(=O)NCC[N@H+](C)CC(C)(C)C[NH3+] ZINC000430581924 208166626 /nfs/dbraw/zinc/16/66/26/208166626.db2.gz VHKRGDAISAAMSF-UHFFFAOYSA-N 2 2 295.449 -0.141 20 0 CBADLP COCCCS(=O)(=O)NCC[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430581924 208166628 /nfs/dbraw/zinc/16/66/28/208166628.db2.gz VHKRGDAISAAMSF-UHFFFAOYSA-N 2 2 295.449 -0.141 20 0 CBADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)NC(=O)NC1CC1 ZINC000430581206 208166862 /nfs/dbraw/zinc/16/68/62/208166862.db2.gz TWCSQKRQOGHNNY-GFCCVEGCSA-N 2 2 256.350 -0.062 20 0 CBADLP CC(C)N(C)C(=O)[C@@H](C)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430657769 208169607 /nfs/dbraw/zinc/16/96/07/208169607.db2.gz WPEQRBYNIQGWKO-GFCCVEGCSA-N 2 2 284.404 -0.395 20 0 CBADLP CC(C)N(C)C(=O)[C@@H](C)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430657769 208169613 /nfs/dbraw/zinc/16/96/13/208169613.db2.gz WPEQRBYNIQGWKO-GFCCVEGCSA-N 2 2 284.404 -0.395 20 0 CBADLP CN(CCC[NH+]1CCOCC1)CC(=O)N1CC[NH2+]CC1 ZINC000430635688 208170189 /nfs/dbraw/zinc/17/01/89/208170189.db2.gz HQPYXZCRPURZFO-UHFFFAOYSA-N 2 2 284.404 -0.928 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000430689169 208172105 /nfs/dbraw/zinc/17/21/05/208172105.db2.gz BDXBSNHNRSIIHP-RYUDHWBXSA-N 2 2 280.372 -0.839 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000430689169 208172109 /nfs/dbraw/zinc/17/21/09/208172109.db2.gz BDXBSNHNRSIIHP-RYUDHWBXSA-N 2 2 280.372 -0.839 20 0 CBADLP O=C(NCCc1cn2c([nH+]1)CCCC2)[C@H]1C[NH2+]CCO1 ZINC000430696443 208173099 /nfs/dbraw/zinc/17/30/99/208173099.db2.gz VQFNWVYBYSGRDY-GFCCVEGCSA-N 2 2 278.356 -0.134 20 0 CBADLP COCC[NH2+]CC(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000178861991 285075219 /nfs/dbraw/zinc/07/52/19/285075219.db2.gz OWPVMUYLNWODFK-OLZOCXBDSA-N 2 2 285.388 -0.599 20 0 CBADLP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)C[NH3+])cc2)CC1 ZINC000430754643 208178703 /nfs/dbraw/zinc/17/87/03/208178703.db2.gz FROXQRIKRRWEIB-UHFFFAOYSA-N 2 2 290.367 -0.351 20 0 CBADLP CN(C)c1[nH+]cccc1CNC(=O)COC1C[NH2+]C1 ZINC000430754284 208179234 /nfs/dbraw/zinc/17/92/34/208179234.db2.gz NBIWAIGWSDETHJ-UHFFFAOYSA-N 2 2 264.329 -0.248 20 0 CBADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)C[C@H](C)[NH3+])CC1 ZINC000430764519 208179345 /nfs/dbraw/zinc/17/93/45/208179345.db2.gz SGOMLSCTYPTSJI-WDEREUQCSA-N 2 2 282.388 -0.465 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000430767347 208182381 /nfs/dbraw/zinc/18/23/81/208182381.db2.gz WHTSWMOFXVPXNF-QWHCGFSZSA-N 2 2 282.388 -0.606 20 0 CBADLP CC[C@H]([NH3+])C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000430803158 208185644 /nfs/dbraw/zinc/18/56/44/208185644.db2.gz QRIOPQJIEMUZER-VIFPVBQESA-N 2 2 256.350 -0.868 20 0 CBADLP O=C(NCc1cn2c([nH+]1)CCCC2)[C@@H]1COCC[NH2+]1 ZINC000430895863 208189653 /nfs/dbraw/zinc/18/96/53/208189653.db2.gz DLOUNOKXQMQNSO-NSHDSACASA-N 2 2 264.329 -0.176 20 0 CBADLP C[C@H](NC(=O)C[N@@H+]1CC[C@@H](C[NH3+])C1)C(=O)N1CCCCC1 ZINC000430923191 208190377 /nfs/dbraw/zinc/19/03/77/208190377.db2.gz DNANNKYAAUWCMM-STQMWFEESA-N 2 2 296.415 -0.216 20 0 CBADLP C[C@H](NC(=O)C[N@H+]1CC[C@@H](C[NH3+])C1)C(=O)N1CCCCC1 ZINC000430923191 208190381 /nfs/dbraw/zinc/19/03/81/208190381.db2.gz DNANNKYAAUWCMM-STQMWFEESA-N 2 2 296.415 -0.216 20 0 CBADLP C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430919755 208190716 /nfs/dbraw/zinc/19/07/16/208190716.db2.gz RUKKLUZASJGLHJ-MDZLAQPJSA-N 2 2 296.415 -0.219 20 0 CBADLP C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430919755 208190722 /nfs/dbraw/zinc/19/07/22/208190722.db2.gz RUKKLUZASJGLHJ-MDZLAQPJSA-N 2 2 296.415 -0.219 20 0 CBADLP Cc1cc(NC(=O)C[N@@H+]2CC[C@@H](C[NH3+])C2)n(C)n1 ZINC000430951803 208191923 /nfs/dbraw/zinc/19/19/23/208191923.db2.gz NKEFKUDVZNZJOV-JTQLQIEISA-N 2 2 251.334 -0.052 20 0 CBADLP Cc1cc(NC(=O)C[N@H+]2CC[C@@H](C[NH3+])C2)n(C)n1 ZINC000430951803 208191927 /nfs/dbraw/zinc/19/19/27/208191927.db2.gz NKEFKUDVZNZJOV-JTQLQIEISA-N 2 2 251.334 -0.052 20 0 CBADLP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000430943274 208191998 /nfs/dbraw/zinc/19/19/98/208191998.db2.gz OLTWHBPHYRNNOK-GHMZBOCLSA-N 2 2 282.388 -0.608 20 0 CBADLP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430943274 208192003 /nfs/dbraw/zinc/19/20/03/208192003.db2.gz OLTWHBPHYRNNOK-GHMZBOCLSA-N 2 2 282.388 -0.608 20 0 CBADLP C[NH2+]C1CC[NH+]([C@H](C)C(=O)N2CCC[C@H](C(N)=O)C2)CC1 ZINC000430950514 208193464 /nfs/dbraw/zinc/19/34/64/208193464.db2.gz RPJWQXZSEFQWQA-NEPJUHHUSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@H]1C[N@H+](CC(=O)NCCCN2CCCC2=O)CC[C@H]1[NH3+] ZINC000430960689 208193694 /nfs/dbraw/zinc/19/36/94/208193694.db2.gz LAGAXIRXWMVFSE-QWHCGFSZSA-N 2 2 296.415 -0.216 20 0 CBADLP C[C@H]1C[N@@H+](CC(=O)NCCCN2CCCC2=O)CC[C@H]1[NH3+] ZINC000430960689 208193698 /nfs/dbraw/zinc/19/36/98/208193698.db2.gz LAGAXIRXWMVFSE-QWHCGFSZSA-N 2 2 296.415 -0.216 20 0 CBADLP Cn1cc(C[NH+]2CCN(C(=O)[C@H]3CC[NH2+]C3)CC2)cn1 ZINC000431003553 208194498 /nfs/dbraw/zinc/19/44/98/208194498.db2.gz PBMVEFUXBHJGNA-ZDUSSCGKSA-N 2 2 277.372 -0.326 20 0 CBADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)NC(=O)N[C@H](C)COC)C1 ZINC000430970354 208195078 /nfs/dbraw/zinc/19/50/78/208195078.db2.gz JRVINZVUKIXQPS-MNOVXSKESA-N 2 2 286.376 -0.612 20 0 CBADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)NC(=O)N[C@H](C)COC)C1 ZINC000430970354 208195084 /nfs/dbraw/zinc/19/50/84/208195084.db2.gz JRVINZVUKIXQPS-MNOVXSKESA-N 2 2 286.376 -0.612 20 0 CBADLP Cn1cc(C[NH+]2CCN(C(=O)CC[NH3+])CC2)cn1 ZINC000431000751 208195501 /nfs/dbraw/zinc/19/55/01/208195501.db2.gz GQWGIQIHBJNPBK-UHFFFAOYSA-N 2 2 251.334 -0.587 20 0 CBADLP C[NH2+]C[C@H](C)C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000431004807 208195577 /nfs/dbraw/zinc/19/55/77/208195577.db2.gz KCEQKDZAFQPIIB-NSHDSACASA-N 2 2 265.361 -0.091 20 0 CBADLP CN(C)c1cc(NC(=O)CN2CC[NH2+]CC2=O)cc[nH+]1 ZINC000431004706 208195593 /nfs/dbraw/zinc/19/55/93/208195593.db2.gz SHWMOMSMTWJUNY-UHFFFAOYSA-N 2 2 277.328 -0.482 20 0 CBADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000430965947 208195787 /nfs/dbraw/zinc/19/57/87/208195787.db2.gz MCTPCMCNHNAENO-QMMMGPOBSA-N 2 2 296.293 -0.084 20 0 CBADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000430965947 208195791 /nfs/dbraw/zinc/19/57/91/208195791.db2.gz MCTPCMCNHNAENO-QMMMGPOBSA-N 2 2 296.293 -0.084 20 0 CBADLP C[NH2+]C[C@@H](C)C(=O)NC[C@H](C)[NH+]1CCN(C)CC1 ZINC000431006576 208196353 /nfs/dbraw/zinc/19/63/53/208196353.db2.gz YZBXKKCMSFYADX-NEPJUHHUSA-N 2 2 256.394 -0.406 20 0 CBADLP O=C([C@@H]1CC[NH2+]C1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000431005511 208196621 /nfs/dbraw/zinc/19/66/21/208196621.db2.gz NBSCDLTYNZOEOD-LLVKDONJSA-N 2 2 263.345 -0.337 20 0 CBADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)C(C)(C)C[NH3+] ZINC000431025571 208198651 /nfs/dbraw/zinc/19/86/51/208198651.db2.gz ZETPBNIGZWNLFJ-LLVKDONJSA-N 2 2 256.394 -0.277 20 0 CBADLP C[NH2+]CC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000431010369 208199177 /nfs/dbraw/zinc/19/91/77/208199177.db2.gz OGPMNABKMSJCSI-UHFFFAOYSA-N 2 2 251.334 -0.716 20 0 CBADLP C[NH2+]C[C@@H](C)C(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000431027124 208199352 /nfs/dbraw/zinc/19/93/52/208199352.db2.gz HHDMAVJRYZQCDX-VXGBXAGGSA-N 2 2 256.394 -0.406 20 0 CBADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000431022086 208200188 /nfs/dbraw/zinc/20/01/88/208200188.db2.gz METWGLNOQMEYPH-JSGCOSHPSA-N 2 2 268.405 -0.262 20 0 CBADLP C[C@H]1C[C@H](NC(=O)CN2CC[NH2+]CC2=O)C[N@@H+]1C1CC1 ZINC000431028970 208201441 /nfs/dbraw/zinc/20/14/41/208201441.db2.gz WKHAQSNHQOOKAY-QWRGUYRKSA-N 2 2 280.372 -0.840 20 0 CBADLP C[C@H]1C[C@H](NC(=O)CN2CC[NH2+]CC2=O)C[N@H+]1C1CC1 ZINC000431028970 208201447 /nfs/dbraw/zinc/20/14/47/208201447.db2.gz WKHAQSNHQOOKAY-QWRGUYRKSA-N 2 2 280.372 -0.840 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000431063197 208202975 /nfs/dbraw/zinc/20/29/75/208202975.db2.gz YNGPAPMWQOLMBK-CYBMUJFWSA-N 2 2 294.399 -0.495 20 0 CBADLP CC(C)[C@H](C[NH3+])C(=O)NC[C@H](C)[NH+]1CCN(C)CC1 ZINC000433169500 208239651 /nfs/dbraw/zinc/23/96/51/208239651.db2.gz RNFWQHAZBJLRFA-STQMWFEESA-N 2 2 270.421 -0.031 20 0 CBADLP CC(C)[C@@H](C[NH3+])C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000433167770 208240263 /nfs/dbraw/zinc/24/02/63/208240263.db2.gz JWYJQRXCANZTRO-QWHCGFSZSA-N 2 2 270.421 -0.031 20 0 CBADLP C[N@H+](CC(=O)N1CCNC(=O)C1)[C@@H]1CCC[NH2+]CC1 ZINC000435620652 208282165 /nfs/dbraw/zinc/28/21/65/208282165.db2.gz DWVVAHKWDLFBOE-LLVKDONJSA-N 2 2 268.361 -0.981 20 0 CBADLP C[N@@H+](CC(=O)N1CCNC(=O)C1)[C@@H]1CCC[NH2+]CC1 ZINC000435620652 208282170 /nfs/dbraw/zinc/28/21/70/208282170.db2.gz DWVVAHKWDLFBOE-LLVKDONJSA-N 2 2 268.361 -0.981 20 0 CBADLP C[NH2+]CCCN1CC[NH+]([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000435872278 208284430 /nfs/dbraw/zinc/28/44/30/208284430.db2.gz NTXROAJNBNFNLT-AWEZNQCLSA-N 2 2 298.431 -0.539 20 0 CBADLP CC[NH+](CCC[N@@H+](CC)[C@@H]1CCNC1=O)[C@@H]1CCNC1=O ZINC000440959793 208347694 /nfs/dbraw/zinc/34/76/94/208347694.db2.gz LHZCIEWSIQTOBI-CHWSQXEVSA-N 2 2 296.415 -0.203 20 0 CBADLP CC[NH+](CCC[N@H+](CC)[C@@H]1CCNC1=O)[C@@H]1CCNC1=O ZINC000440959793 208347696 /nfs/dbraw/zinc/34/76/96/208347696.db2.gz LHZCIEWSIQTOBI-CHWSQXEVSA-N 2 2 296.415 -0.203 20 0 CBADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@H]1CC[C@H](O)CC1 ZINC000439255488 208323481 /nfs/dbraw/zinc/32/34/81/208323481.db2.gz ANMDPDHCEFTEDB-JOCQHMNTSA-N 2 2 269.389 -0.004 20 0 CBADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)[C@H]1CC[C@H](O)CC1 ZINC000439255488 208323486 /nfs/dbraw/zinc/32/34/86/208323486.db2.gz ANMDPDHCEFTEDB-JOCQHMNTSA-N 2 2 269.389 -0.004 20 0 CBADLP CC(C)[C@@](C)(CNC(=O)C[NH+](C)C)NC(=O)C[NH+](C)C ZINC000442646129 208356789 /nfs/dbraw/zinc/35/67/89/208356789.db2.gz GSGQSVKIUWUVDN-CQSZACIVSA-N 2 2 286.420 -0.243 20 0 CBADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)NCC(=O)N1CCCC1 ZINC000442789663 208367935 /nfs/dbraw/zinc/36/79/35/208367935.db2.gz KASHEFJPZXZNPY-VXGBXAGGSA-N 2 2 282.388 -0.606 20 0 CBADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)NCC(=O)N1CCCC1 ZINC000442789663 208367939 /nfs/dbraw/zinc/36/79/39/208367939.db2.gz KASHEFJPZXZNPY-VXGBXAGGSA-N 2 2 282.388 -0.606 20 0 CBADLP C[C@@H](C[NH+](C)C)NC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000350519944 219033666 /nfs/dbraw/zinc/03/36/66/219033666.db2.gz QOGRGDMIEKJRPK-RYUDHWBXSA-N 2 2 272.393 -0.044 20 0 CBADLP COC[C@@H]([NH3+])C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000353803360 220339966 /nfs/dbraw/zinc/33/99/66/220339966.db2.gz KKLUSEWNVFKIFC-VXGBXAGGSA-N 2 2 273.377 -0.567 20 0 CBADLP CC(C)C[C@H](C[NH3+])NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000574862101 335052978 /nfs/dbraw/zinc/05/29/78/335052978.db2.gz CPPMGIVNBIHIDX-VXGBXAGGSA-N 3 2 271.409 -0.356 20 0 CBADLP CC(C)C[C@H](C[NH3+])NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000574862101 335052979 /nfs/dbraw/zinc/05/29/79/335052979.db2.gz CPPMGIVNBIHIDX-VXGBXAGGSA-N 3 2 271.409 -0.356 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000281328307 195198962 /nfs/dbraw/zinc/19/89/62/195198962.db2.gz VJSYBYYDPIGSBE-ZDUSSCGKSA-N 2 2 277.372 -0.531 20 0 CBADLP COC[C@H]([NH3+])C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000375831952 285384150 /nfs/dbraw/zinc/38/41/50/285384150.db2.gz AUHBVFSRIVBJCW-SRVKXCTJSA-N 2 2 271.361 -0.982 20 0 CBADLP COC[C@H]([NH3+])C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000367653163 285386388 /nfs/dbraw/zinc/38/63/88/285386388.db2.gz LVJPATMXGHSOJP-AVGNSLFASA-N 2 2 285.388 -0.280 20 0 CBADLP C[NH+](C)CCOCC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423073210 289170050 /nfs/dbraw/zinc/17/00/50/289170050.db2.gz QYFDYGFBXKARHM-UONOGXRCSA-N 3 2 271.405 -0.079 20 0 CBADLP O=C([C@@H]1C[NH2+]CCO1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000237954286 304369649 /nfs/dbraw/zinc/36/96/49/304369649.db2.gz LGLNUQRGTSWGFK-OLZOCXBDSA-N 2 2 283.372 -0.702 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@H](C)[NH+](C)C ZINC000454264128 286849052 /nfs/dbraw/zinc/84/90/52/286849052.db2.gz LFNNZCMQQARWIQ-RYUDHWBXSA-N 2 2 272.393 -0.044 20 0 CBADLP C[C@@H](NC(=O)[C@H]1CC[NH2+]C1)[C@@H](C)[NH+]1CCOCC1 ZINC000237438417 286995951 /nfs/dbraw/zinc/99/59/51/286995951.db2.gz AXLSTMUZNZDZDD-UTUOFQBUSA-N 2 2 255.362 -0.179 20 0 CBADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCCn2cc[nH+]c2)C[C@H]1C ZINC000180752057 287091194 /nfs/dbraw/zinc/09/11/94/287091194.db2.gz UXYRFISLTRFYSQ-CHWSQXEVSA-N 2 2 295.387 -0.020 20 0 CBADLP C[C@@H](O)C[N@H+]1CCN(C(=O)NCCn2cc[nH+]c2)C[C@H]1C ZINC000180752057 287091195 /nfs/dbraw/zinc/09/11/95/287091195.db2.gz UXYRFISLTRFYSQ-CHWSQXEVSA-N 2 2 295.387 -0.020 20 0 CBADLP C[N@@H+]1CC[C@H]2OCCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC000284908389 196154328 /nfs/dbraw/zinc/15/43/28/196154328.db2.gz HPLITGDWYMMGHJ-VXGBXAGGSA-N 2 2 264.329 -0.185 20 0 CBADLP C[N@H+]1CC[C@H]2OCCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC000284908389 196154329 /nfs/dbraw/zinc/15/43/29/196154329.db2.gz HPLITGDWYMMGHJ-VXGBXAGGSA-N 2 2 264.329 -0.185 20 0 CBADLP C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1COCC[NH2+]1 ZINC000262661914 287270718 /nfs/dbraw/zinc/27/07/18/287270718.db2.gz GNVKROKYONMCCF-VXGBXAGGSA-N 2 2 255.362 -0.035 20 0 CBADLP C[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H]1COCC[NH2+]1 ZINC000262661914 287270721 /nfs/dbraw/zinc/27/07/21/287270721.db2.gz GNVKROKYONMCCF-VXGBXAGGSA-N 2 2 255.362 -0.035 20 0 CBADLP CN(C(=O)C[NH3+])[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662899508 414061641 /nfs/dbraw/zinc/06/16/41/414061641.db2.gz DZHJQDNPHKQHPR-GFCCVEGCSA-N 3 2 254.378 -0.428 20 0 CBADLP CN(C(=O)C[NH3+])[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662899508 414061649 /nfs/dbraw/zinc/06/16/49/414061649.db2.gz DZHJQDNPHKQHPR-GFCCVEGCSA-N 3 2 254.378 -0.428 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)NCCn2cc[nH+]c2C)CC1 ZINC000285777862 196395782 /nfs/dbraw/zinc/39/57/82/196395782.db2.gz FLLTYTDIMNFUKZ-UHFFFAOYSA-N 2 2 293.371 -0.528 20 0 CBADLP C[C@@H](C(=O)NC1CCCC1)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031539 174026168 /nfs/dbraw/zinc/02/61/68/174026168.db2.gz CBUUDIGJUMUZEI-LBPRGKRZSA-N 2 2 296.415 -0.203 20 0 CBADLP C[C@@H](C(=O)NC1CCCC1)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031539 174026169 /nfs/dbraw/zinc/02/61/69/174026169.db2.gz CBUUDIGJUMUZEI-LBPRGKRZSA-N 2 2 296.415 -0.203 20 0 CBADLP CC(C)CCNC(=O)[C@H](C)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031574 174026372 /nfs/dbraw/zinc/02/63/72/174026372.db2.gz MWXZIZXQDXPPQE-ZDUSSCGKSA-N 2 2 298.431 -0.099 20 0 CBADLP CC(C)CCNC(=O)[C@H](C)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031574 174026374 /nfs/dbraw/zinc/02/63/74/174026374.db2.gz MWXZIZXQDXPPQE-ZDUSSCGKSA-N 2 2 298.431 -0.099 20 0 CBADLP CCCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000044529272 175193893 /nfs/dbraw/zinc/19/38/93/175193893.db2.gz KABJRRGEGKBGKY-SNVBAGLBSA-N 2 2 256.350 -0.107 20 0 CBADLP CCCNC(=O)NC(=O)C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044529272 175193894 /nfs/dbraw/zinc/19/38/94/175193894.db2.gz KABJRRGEGKBGKY-SNVBAGLBSA-N 2 2 256.350 -0.107 20 0 CBADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000044531364 175196115 /nfs/dbraw/zinc/19/61/15/175196115.db2.gz ZYLCOFDJJVXPEG-VHSXEESVSA-N 2 2 256.350 -0.109 20 0 CBADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044531364 175196117 /nfs/dbraw/zinc/19/61/17/175196117.db2.gz ZYLCOFDJJVXPEG-VHSXEESVSA-N 2 2 256.350 -0.109 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[N@@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000071146859 176042305 /nfs/dbraw/zinc/04/23/05/176042305.db2.gz OGKPSFPOMGTHCP-LBPRGKRZSA-N 2 2 284.404 -0.488 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000071146859 176042307 /nfs/dbraw/zinc/04/23/07/176042307.db2.gz OGKPSFPOMGTHCP-LBPRGKRZSA-N 2 2 284.404 -0.488 20 0 CBADLP C[N@H+](CCN1CC[NH2+]CC1)CC(=O)Nc1nccs1 ZINC000071150359 176045425 /nfs/dbraw/zinc/04/54/25/176045425.db2.gz DKBXKVRXPXEEGN-UHFFFAOYSA-N 2 2 283.401 -0.081 20 0 CBADLP C[N@@H+](CCN1CC[NH2+]CC1)CC(=O)Nc1nccs1 ZINC000071150359 176045426 /nfs/dbraw/zinc/04/54/26/176045426.db2.gz DKBXKVRXPXEEGN-UHFFFAOYSA-N 2 2 283.401 -0.081 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)C1CC[NH2+]CC1 ZINC000077610819 177286919 /nfs/dbraw/zinc/28/69/19/177286919.db2.gz IBSFWZRKYMILLG-UHFFFAOYSA-N 2 2 255.362 -0.223 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)CC1(O)CCC1 ZINC000575192919 335078584 /nfs/dbraw/zinc/07/85/84/335078584.db2.gz RJDJRNRNGBWOMP-LBPRGKRZSA-N 2 2 260.378 -0.228 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)CC1(O)CCC1 ZINC000575192919 335078586 /nfs/dbraw/zinc/07/85/86/335078586.db2.gz RJDJRNRNGBWOMP-LBPRGKRZSA-N 2 2 260.378 -0.228 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)CC1(O)CCC1 ZINC000575192919 335078587 /nfs/dbraw/zinc/07/85/87/335078587.db2.gz RJDJRNRNGBWOMP-LBPRGKRZSA-N 2 2 260.378 -0.228 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)CC1(O)CCC1 ZINC000575192919 335078589 /nfs/dbraw/zinc/07/85/89/335078589.db2.gz RJDJRNRNGBWOMP-LBPRGKRZSA-N 2 2 260.378 -0.228 20 0 CBADLP C[C@H]1C(=O)NCCC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000367213763 228005157 /nfs/dbraw/zinc/00/51/57/228005157.db2.gz PPHNQCOWRJEAJV-LBPRGKRZSA-N 2 2 282.388 -0.639 20 0 CBADLP C[C@H]1C(=O)NCCC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000367213763 228005159 /nfs/dbraw/zinc/00/51/59/228005159.db2.gz PPHNQCOWRJEAJV-LBPRGKRZSA-N 2 2 282.388 -0.639 20 0 CBADLP C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)[C@@H]1C[NH+](C)CCO1 ZINC000127122058 544456092 /nfs/dbraw/zinc/45/60/92/544456092.db2.gz DZFVTZXXIXITPT-SRVKXCTJSA-N 2 2 255.362 -0.084 20 0 CBADLP C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)[C@@H]1C[NH+](C)CCO1 ZINC000127122058 544456095 /nfs/dbraw/zinc/45/60/95/544456095.db2.gz DZFVTZXXIXITPT-SRVKXCTJSA-N 2 2 255.362 -0.084 20 0 CBADLP C[C@H](NC(=O)[C@@H]1CCC[NH+]1C)[C@@H]1C[N@H+](C)CCO1 ZINC000127122058 544456100 /nfs/dbraw/zinc/45/61/00/544456100.db2.gz DZFVTZXXIXITPT-SRVKXCTJSA-N 2 2 255.362 -0.084 20 0 CBADLP C[C@H](NC(=O)[C@@H]1CCC[NH+]1C)[C@@H]1C[N@@H+](C)CCO1 ZINC000127122058 544456105 /nfs/dbraw/zinc/45/61/05/544456105.db2.gz DZFVTZXXIXITPT-SRVKXCTJSA-N 2 2 255.362 -0.084 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](CCO)C2)CC1 ZINC000051895469 544421328 /nfs/dbraw/zinc/42/13/28/544421328.db2.gz XRNANUGQTNHLFQ-ZDUSSCGKSA-N 2 2 269.389 -0.145 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](CCO)C2)CC1 ZINC000051895469 544421332 /nfs/dbraw/zinc/42/13/32/544421332.db2.gz XRNANUGQTNHLFQ-ZDUSSCGKSA-N 2 2 269.389 -0.145 20 0 CBADLP CN(C)C(=O)C[NH+]1CCN(C(=O)CC(C)(C)[NH3+])CC1 ZINC000084170027 544430758 /nfs/dbraw/zinc/43/07/58/544430758.db2.gz LXJJKVLBAADALE-UHFFFAOYSA-N 2 2 270.377 -0.654 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C[C@H]1CC[NH2+]C1 ZINC000089741834 544437773 /nfs/dbraw/zinc/43/77/73/544437773.db2.gz LMMPKHVZMBHJCL-VXGBXAGGSA-N 2 2 255.362 -0.177 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000333846210 228216636 /nfs/dbraw/zinc/21/66/36/228216636.db2.gz WGKVERLIYRESIT-NWDGAFQWSA-N 2 2 270.377 -0.242 20 0 CBADLP CC(C)([NH3+])CC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000236830752 544506647 /nfs/dbraw/zinc/50/66/47/544506647.db2.gz MLQJELBLKFWLTR-UHFFFAOYSA-N 2 2 296.415 -0.120 20 0 CBADLP CC(C)C[C@H]([NH3+])C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000236645942 544507238 /nfs/dbraw/zinc/50/72/38/544507238.db2.gz DQJDAYCAVFABGN-OLZOCXBDSA-N 2 2 287.404 -0.489 20 0 CBADLP C[C@H]1CCC[N@H+](CCN2C(=O)CNC2=O)[C@H]1C[NH3+] ZINC000252208136 544514603 /nfs/dbraw/zinc/51/46/03/544514603.db2.gz VOUBJCPCGUCPDI-UWVGGRQHSA-N 2 2 254.334 -0.403 20 0 CBADLP C[C@H]1CCC[N@@H+](CCN2C(=O)CNC2=O)[C@H]1C[NH3+] ZINC000252208136 544514609 /nfs/dbraw/zinc/51/46/09/544514609.db2.gz VOUBJCPCGUCPDI-UWVGGRQHSA-N 2 2 254.334 -0.403 20 0 CBADLP C[C@@H]1CCN(C(=O)CN2CC[NH2+]CC2=O)[C@H](C[NH3+])C1 ZINC000261715693 544516204 /nfs/dbraw/zinc/51/62/04/544516204.db2.gz GMRGRLSARRSQBF-MNOVXSKESA-N 2 2 268.361 -0.996 20 0 CBADLP C[C@@H]1CC[N@H+](CCN2C(=O)CNC2=O)[C@H](C[NH3+])C1 ZINC000300095507 544525576 /nfs/dbraw/zinc/52/55/76/544525576.db2.gz WYQJNPBDNCTCLP-ZJUUUORDSA-N 2 2 254.334 -0.403 20 0 CBADLP C[C@@H]1CC[N@@H+](CCN2C(=O)CNC2=O)[C@H](C[NH3+])C1 ZINC000300095507 544525580 /nfs/dbraw/zinc/52/55/80/544525580.db2.gz WYQJNPBDNCTCLP-ZJUUUORDSA-N 2 2 254.334 -0.403 20 0 CBADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@](O)(CO)C1 ZINC000313635539 544529590 /nfs/dbraw/zinc/52/95/90/544529590.db2.gz LHENGIOTANLDIT-OLZOCXBDSA-N 2 2 260.378 -0.493 20 0 CBADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@](O)(CO)C1 ZINC000313635539 544529594 /nfs/dbraw/zinc/52/95/94/544529594.db2.gz LHENGIOTANLDIT-OLZOCXBDSA-N 2 2 260.378 -0.493 20 0 CBADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@](O)(CO)C1 ZINC000313635539 544529599 /nfs/dbraw/zinc/52/95/99/544529599.db2.gz LHENGIOTANLDIT-OLZOCXBDSA-N 2 2 260.378 -0.493 20 0 CBADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@](O)(CO)C1 ZINC000313635539 544529603 /nfs/dbraw/zinc/52/96/03/544529603.db2.gz LHENGIOTANLDIT-OLZOCXBDSA-N 2 2 260.378 -0.493 20 0 CBADLP CN1CC(=O)N(CC[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)C1=O ZINC000660616961 419414291 /nfs/dbraw/zinc/41/42/91/419414291.db2.gz SRZXXVVGSNMLBE-AWEZNQCLSA-N 2 2 280.372 -0.092 20 0 CBADLP CN1CC(=O)N(CC[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)C1=O ZINC000660616961 419414299 /nfs/dbraw/zinc/41/42/99/419414299.db2.gz SRZXXVVGSNMLBE-AWEZNQCLSA-N 2 2 280.372 -0.092 20 0 CBADLP CN1CC(=O)N(CC[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)C1=O ZINC000660616961 419414305 /nfs/dbraw/zinc/41/43/05/419414305.db2.gz SRZXXVVGSNMLBE-AWEZNQCLSA-N 2 2 280.372 -0.092 20 0 CBADLP CN1CC(=O)N(CC[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)C1=O ZINC000660616961 419414313 /nfs/dbraw/zinc/41/43/13/419414313.db2.gz SRZXXVVGSNMLBE-AWEZNQCLSA-N 2 2 280.372 -0.092 20 0 CBADLP Cc1nc(NCCN2CC[N@@H+](C)C(C)(C)C2)nc(N)[nH+]1 ZINC000631264772 419483166 /nfs/dbraw/zinc/48/31/66/419483166.db2.gz OMBGOQHIBHJEAD-UHFFFAOYSA-N 2 2 279.392 -0.378 20 0 CBADLP Cc1nc(NCCN2CC[N@H+](C)C(C)(C)C2)nc(N)[nH+]1 ZINC000631264772 419483171 /nfs/dbraw/zinc/48/31/71/419483171.db2.gz OMBGOQHIBHJEAD-UHFFFAOYSA-N 2 2 279.392 -0.378 20 0 CBADLP CC[C@@H](C)[C@@H](NC(=O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C(=O)OC ZINC000107575141 419484219 /nfs/dbraw/zinc/48/42/19/419484219.db2.gz LAWYKTVBPUWBOY-NRWUCQMLSA-N 2 2 297.399 -0.159 20 0 CBADLP CC[C@@H](C)[C@@H](NC(=O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C(=O)OC ZINC000107575141 419484228 /nfs/dbraw/zinc/48/42/28/419484228.db2.gz LAWYKTVBPUWBOY-NRWUCQMLSA-N 2 2 297.399 -0.159 20 0 CBADLP C[C@H]1CN(C(=O)C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C[C@H](C)O1 ZINC000107576139 419484666 /nfs/dbraw/zinc/48/46/66/419484666.db2.gz PXRUZGBODGRMIC-ZDEQEGDKSA-N 2 2 267.373 -0.227 20 0 CBADLP C[C@H]1CN(C(=O)C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C[C@H](C)O1 ZINC000107576139 419484672 /nfs/dbraw/zinc/48/46/72/419484672.db2.gz PXRUZGBODGRMIC-ZDEQEGDKSA-N 2 2 267.373 -0.227 20 0 CBADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000660764755 419437049 /nfs/dbraw/zinc/43/70/49/419437049.db2.gz PYTISJKZFGUHJM-RYUDHWBXSA-N 2 2 264.329 -0.219 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)NCC1([NH3+])CCC1 ZINC000627083194 419445712 /nfs/dbraw/zinc/44/57/12/419445712.db2.gz GRNWSVQOGOGBNA-JTQLQIEISA-N 2 2 256.350 -0.502 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)NCC1([NH3+])CCC1 ZINC000627083194 419445722 /nfs/dbraw/zinc/44/57/22/419445722.db2.gz GRNWSVQOGOGBNA-JTQLQIEISA-N 2 2 256.350 -0.502 20 0 CBADLP C[C@@H](NC(=O)N(C)CC1C[NH+](C)C1)[C@H]1C[N@H+](C)CCO1 ZINC000660933707 419460549 /nfs/dbraw/zinc/46/05/49/419460549.db2.gz FJRMWBPNFCIBLL-DGCLKSJQSA-N 2 2 284.404 -0.092 20 0 CBADLP C[C@@H](NC(=O)N(C)CC1C[NH+](C)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000660933707 419460556 /nfs/dbraw/zinc/46/05/56/419460556.db2.gz FJRMWBPNFCIBLL-DGCLKSJQSA-N 2 2 284.404 -0.092 20 0 CBADLP C[C@@H]([NH3+])CCC(=O)N1CC[NH+](CC(=O)N(C)C)CC1 ZINC000070316365 419463680 /nfs/dbraw/zinc/46/36/80/419463680.db2.gz FZEFMCDCZMTFHH-LLVKDONJSA-N 2 2 270.377 -0.654 20 0 CBADLP O=C(CC[N@@H+]1CC[C@@H](N2CCCC2)C1)N1CC[NH2+]CC1 ZINC000062980248 419464643 /nfs/dbraw/zinc/46/46/43/419464643.db2.gz XYIBZFGQKNOUDT-CQSZACIVSA-N 2 2 280.416 -0.022 20 0 CBADLP O=C(CC[N@H+]1CC[C@@H](N2CCCC2)C1)N1CC[NH2+]CC1 ZINC000062980248 419464652 /nfs/dbraw/zinc/46/46/52/419464652.db2.gz XYIBZFGQKNOUDT-CQSZACIVSA-N 2 2 280.416 -0.022 20 0 CBADLP c1cc(NC[C@@H]2COCC[NH2+]2)nc(N2CCOCC2)[nH+]1 ZINC000630533980 419466034 /nfs/dbraw/zinc/46/60/34/419466034.db2.gz XXHCRFBLQNFAPQ-LLVKDONJSA-N 2 2 279.344 -0.287 20 0 CBADLP C[C@H]([NH3+])CCC(=O)N1CC[NH+](CC(=O)N(C)C)CC1 ZINC000070316364 419466132 /nfs/dbraw/zinc/46/61/32/419466132.db2.gz FZEFMCDCZMTFHH-NSHDSACASA-N 2 2 270.377 -0.654 20 0 CBADLP Cc1cc(NC(=O)C[N@H+](C)CCN2CC[NH2+]CC2)no1 ZINC000071150536 419467423 /nfs/dbraw/zinc/46/74/23/419467423.db2.gz GQSHMVCUYUVIGD-UHFFFAOYSA-N 2 2 281.360 -0.241 20 0 CBADLP Cc1cc(NC(=O)C[N@@H+](C)CCN2CC[NH2+]CC2)no1 ZINC000071150536 419467432 /nfs/dbraw/zinc/46/74/32/419467432.db2.gz GQSHMVCUYUVIGD-UHFFFAOYSA-N 2 2 281.360 -0.241 20 0 CBADLP c1cc(NC[C@H]2COCC[NH2+]2)nc(N2CCOCC2)[nH+]1 ZINC000630533987 419467602 /nfs/dbraw/zinc/46/76/02/419467602.db2.gz XXHCRFBLQNFAPQ-NSHDSACASA-N 2 2 279.344 -0.287 20 0 CBADLP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CCCO2)C1 ZINC000127233120 419493782 /nfs/dbraw/zinc/49/37/82/419493782.db2.gz SQPFUZPMZSLWCU-SRVKXCTJSA-N 2 2 255.362 -0.049 20 0 CBADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2CCCO2)C1 ZINC000127233120 419493788 /nfs/dbraw/zinc/49/37/88/419493788.db2.gz SQPFUZPMZSLWCU-SRVKXCTJSA-N 2 2 255.362 -0.049 20 0 CBADLP Cc1nc(N2CC[N@H+](CCO)[C@@H](C)C2)nc(N)[nH+]1 ZINC000631221572 419471209 /nfs/dbraw/zinc/47/12/09/419471209.db2.gz GWGAUUQSGGQRPY-QMMMGPOBSA-N 2 2 252.322 -0.735 20 0 CBADLP Cc1nc(N2CC[N@@H+](CCO)[C@@H](C)C2)nc(N)[nH+]1 ZINC000631221572 419471216 /nfs/dbraw/zinc/47/12/16/419471216.db2.gz GWGAUUQSGGQRPY-QMMMGPOBSA-N 2 2 252.322 -0.735 20 0 CBADLP Cc1nc(N[C@@H](C)[C@H]2C[N@H+](C)CCO2)nc(N)[nH+]1 ZINC000631170663 419473115 /nfs/dbraw/zinc/47/31/15/419473115.db2.gz BRDMIUWKGNCNGG-IONNQARKSA-N 2 2 252.322 -0.685 20 0 CBADLP Cc1nc(N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)nc(N)[nH+]1 ZINC000631170663 419473123 /nfs/dbraw/zinc/47/31/23/419473123.db2.gz BRDMIUWKGNCNGG-IONNQARKSA-N 2 2 252.322 -0.685 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@H]2COC[C@]2(C)C1 ZINC000661700341 419517588 /nfs/dbraw/zinc/51/75/88/419517588.db2.gz GCHNIRDVPIKMEB-IHRRRGAJSA-N 2 2 272.389 -0.106 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H]2COC[C@]2(C)C1 ZINC000661700341 419517593 /nfs/dbraw/zinc/51/75/93/419517593.db2.gz GCHNIRDVPIKMEB-IHRRRGAJSA-N 2 2 272.389 -0.106 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H]2COC[C@]2(C)C1 ZINC000661700341 419517600 /nfs/dbraw/zinc/51/76/00/419517600.db2.gz GCHNIRDVPIKMEB-IHRRRGAJSA-N 2 2 272.389 -0.106 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@H]2COC[C@]2(C)C1 ZINC000661700341 419517606 /nfs/dbraw/zinc/51/76/06/419517606.db2.gz GCHNIRDVPIKMEB-IHRRRGAJSA-N 2 2 272.389 -0.106 20 0 CBADLP Cn1cc(C[NH+]2CCN(C[C@H]3C[NH2+]CCO3)CC2)cn1 ZINC000662262543 419567417 /nfs/dbraw/zinc/56/74/17/419567417.db2.gz HIFRVZAETJVENJ-CQSZACIVSA-N 2 2 279.388 -0.474 20 0 CBADLP C[C@H](O)[C@H]1CCC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000661774142 419527329 /nfs/dbraw/zinc/52/73/29/419527329.db2.gz MDLRVEBUTDWYFV-NWDGAFQWSA-N 2 2 255.362 -0.394 20 0 CBADLP C[C@H](O)[C@H]1CCC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000661774142 419527335 /nfs/dbraw/zinc/52/73/35/419527335.db2.gz MDLRVEBUTDWYFV-NWDGAFQWSA-N 2 2 255.362 -0.394 20 0 CBADLP CC[NH2+][C@H](C)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000638109538 419527617 /nfs/dbraw/zinc/52/76/17/419527617.db2.gz GKAUVAIXNDHQOM-GFCCVEGCSA-N 2 2 295.387 0.152 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2C[C@@H](O)C23CCC3)CC1 ZINC000661844195 419529608 /nfs/dbraw/zinc/52/96/08/419529608.db2.gz VACXCZQYOGJDFA-NWDGAFQWSA-N 2 2 267.373 -0.347 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(c2nnc(N)o2)CC1 ZINC000639724822 419535567 /nfs/dbraw/zinc/53/55/67/419535567.db2.gz PUCWLJJFQVJQBR-LLVKDONJSA-N 2 2 283.376 0.144 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(c2nnc(N)o2)CC1 ZINC000639724822 419535573 /nfs/dbraw/zinc/53/55/73/419535573.db2.gz PUCWLJJFQVJQBR-LLVKDONJSA-N 2 2 283.376 0.144 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC3(COC3)C2)CC1 ZINC000662075764 419545375 /nfs/dbraw/zinc/54/53/75/419545375.db2.gz KNFZHZURXRSXNA-UHFFFAOYSA-N 2 2 253.346 -0.517 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC3(COC3)C2)CC1 ZINC000662075764 419545383 /nfs/dbraw/zinc/54/53/83/419545383.db2.gz KNFZHZURXRSXNA-UHFFFAOYSA-N 2 2 253.346 -0.517 20 0 CBADLP CC(=O)[C@@](C)(O)C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662151786 419547845 /nfs/dbraw/zinc/54/78/45/419547845.db2.gz LIGOGQCQINCBPN-KBPBESRZSA-N 2 2 270.373 -0.143 20 0 CBADLP CC(=O)[C@@](C)(O)C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662151786 419547854 /nfs/dbraw/zinc/54/78/54/419547854.db2.gz LIGOGQCQINCBPN-KBPBESRZSA-N 2 2 270.373 -0.143 20 0 CBADLP O=C1NCCC[C@@H]1[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662152788 419548122 /nfs/dbraw/zinc/54/81/22/419548122.db2.gz GSYDWXMESLCRBU-STQMWFEESA-N 2 2 267.373 -0.204 20 0 CBADLP O=C1NCCC[C@@H]1[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662152788 419548132 /nfs/dbraw/zinc/54/81/32/419548132.db2.gz GSYDWXMESLCRBU-STQMWFEESA-N 2 2 267.373 -0.204 20 0 CBADLP CN1CC[C@@H]([NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)C1=O ZINC000662158341 419555040 /nfs/dbraw/zinc/55/50/40/419555040.db2.gz RJGNEJUXQXRQFZ-CHWSQXEVSA-N 2 2 267.373 -0.252 20 0 CBADLP CN1CC[C@@H]([NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)C1=O ZINC000662158341 419555045 /nfs/dbraw/zinc/55/50/45/419555045.db2.gz RJGNEJUXQXRQFZ-CHWSQXEVSA-N 2 2 267.373 -0.252 20 0 CBADLP CCc1cc(NC[C@]2(CO)COCC[NH2+]2)nc(C)[nH+]1 ZINC000641690755 419556531 /nfs/dbraw/zinc/55/65/31/419556531.db2.gz ZNPPVIGLQJSEDC-ZDUSSCGKSA-N 2 2 266.345 0.110 20 0 CBADLP Cc1nc(NC[C@@]2(CO)COCC[NH2+]2)c2c([nH+]1)CCCC2 ZINC000641688674 419557597 /nfs/dbraw/zinc/55/75/97/419557597.db2.gz KNLRUYBNVHNLJY-OAHLLOKOSA-N 2 2 292.383 0.427 20 0 CBADLP C[C@H]([NH3+])C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000195177761 419559282 /nfs/dbraw/zinc/55/92/82/419559282.db2.gz NGEMVWSANRUNSM-JQWIXIFHSA-N 2 2 273.402 -0.342 20 0 CBADLP CC(=O)N1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662249436 419561570 /nfs/dbraw/zinc/56/15/70/419561570.db2.gz NPYBSGBRQVUFOV-GFCCVEGCSA-N 2 2 253.346 -0.329 20 0 CBADLP CCC(=O)N1CCC[N@H+](C[C@H]2C[NH2+]CCO2)CC1 ZINC000662252803 419562640 /nfs/dbraw/zinc/56/26/40/419562640.db2.gz PNGGJQLBECGULT-GFCCVEGCSA-N 2 2 255.362 -0.081 20 0 CBADLP CCC(=O)N1CCC[N@@H+](C[C@H]2C[NH2+]CCO2)CC1 ZINC000662252803 419562644 /nfs/dbraw/zinc/56/26/44/419562644.db2.gz PNGGJQLBECGULT-GFCCVEGCSA-N 2 2 255.362 -0.081 20 0 CBADLP CN(C)c1noc(C[N@H+](C)CCN2CC[NH2+]CC2)n1 ZINC000662247240 419562822 /nfs/dbraw/zinc/56/28/22/419562822.db2.gz WBYFPYWRANPCBP-UHFFFAOYSA-N 2 2 268.365 -0.527 20 0 CBADLP CN(C)c1noc(C[N@@H+](C)CCN2CC[NH2+]CC2)n1 ZINC000662247240 419562826 /nfs/dbraw/zinc/56/28/26/419562826.db2.gz WBYFPYWRANPCBP-UHFFFAOYSA-N 2 2 268.365 -0.527 20 0 CBADLP C[C@H]([NH3+])[C@H]1C[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000662248231 419562832 /nfs/dbraw/zinc/56/28/32/419562832.db2.gz WPESHRYVEGPZBO-SDDRHHMPSA-N 3 2 255.362 -0.445 20 0 CBADLP C[C@H]([NH3+])[C@H]1C[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000662248231 419562838 /nfs/dbraw/zinc/56/28/38/419562838.db2.gz WPESHRYVEGPZBO-SDDRHHMPSA-N 3 2 255.362 -0.445 20 0 CBADLP C[C@H](CS(C)(=O)=O)[N@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662256893 419563212 /nfs/dbraw/zinc/56/32/12/419563212.db2.gz ZARLPRDVMWFDQJ-MNOVXSKESA-N 2 2 276.402 -0.128 20 0 CBADLP C[C@H](CS(C)(=O)=O)[N@@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662256893 419563216 /nfs/dbraw/zinc/56/32/16/419563216.db2.gz ZARLPRDVMWFDQJ-MNOVXSKESA-N 2 2 276.402 -0.128 20 0 CBADLP C[C@@H](CS(C)(=O)=O)[N@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662256894 419563438 /nfs/dbraw/zinc/56/34/38/419563438.db2.gz ZARLPRDVMWFDQJ-QWRGUYRKSA-N 2 2 276.402 -0.128 20 0 CBADLP C[C@@H](CS(C)(=O)=O)[N@@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662256894 419563445 /nfs/dbraw/zinc/56/34/45/419563445.db2.gz ZARLPRDVMWFDQJ-QWRGUYRKSA-N 2 2 276.402 -0.128 20 0 CBADLP Cc1cn2c([nH+]1)CC[C@@H](NC(=O)[C@@H]1COCC[NH2+]1)C2 ZINC000167152551 419503511 /nfs/dbraw/zinc/50/35/11/419503511.db2.gz AWANSRLZFYRACZ-MNOVXSKESA-N 2 2 264.329 -0.389 20 0 CBADLP C[NH+](C[C@@H](O)C[N@@H+](C)C[C@H]1COCCO1)C1CC1 ZINC000661612955 419507030 /nfs/dbraw/zinc/50/70/30/419507030.db2.gz DYWJOSZUCNFWFV-STQMWFEESA-N 2 2 258.362 -0.211 20 0 CBADLP C[NH+](C[C@@H](O)C[N@H+](C)C[C@H]1COCCO1)C1CC1 ZINC000661612955 419507039 /nfs/dbraw/zinc/50/70/39/419507039.db2.gz DYWJOSZUCNFWFV-STQMWFEESA-N 2 2 258.362 -0.211 20 0 CBADLP C[NH+](C[C@H](O)C[N@H+](C)C1CC1)C[C@H]1COCCO1 ZINC000661612955 419507047 /nfs/dbraw/zinc/50/70/47/419507047.db2.gz DYWJOSZUCNFWFV-STQMWFEESA-N 2 2 258.362 -0.211 20 0 CBADLP C[NH+](C[C@H](O)C[N@@H+](C)C1CC1)C[C@H]1COCCO1 ZINC000661612955 419507059 /nfs/dbraw/zinc/50/70/59/419507059.db2.gz DYWJOSZUCNFWFV-STQMWFEESA-N 2 2 258.362 -0.211 20 0 CBADLP CC[C@@]1([NH2+]CC(=O)N2CC[NH+](C)CC2)CCOC1 ZINC000378728699 544573004 /nfs/dbraw/zinc/57/30/04/544573004.db2.gz DPMABMLXELXOQI-CYBMUJFWSA-N 2 2 255.362 -0.081 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)C[C@H]2COCCO2)CC1 ZINC000661607799 419511622 /nfs/dbraw/zinc/51/16/22/419511622.db2.gz SFFUPPYFVBBRRM-KBPBESRZSA-N 2 2 299.415 -0.114 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)C[C@H]2COCCO2)CC1 ZINC000661607799 419511626 /nfs/dbraw/zinc/51/16/26/419511626.db2.gz SFFUPPYFVBBRRM-KBPBESRZSA-N 2 2 299.415 -0.114 20 0 CBADLP CCC[N@H+](C)C[C@@H]1CCN(C(=O)CN2CC[NH2+]CC2=O)C1 ZINC000236762936 419569587 /nfs/dbraw/zinc/56/95/87/419569587.db2.gz ODASKPFKYFQDCS-ZDUSSCGKSA-N 2 2 296.415 -0.392 20 0 CBADLP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)CN2CC[NH2+]CC2=O)C1 ZINC000236762936 419569597 /nfs/dbraw/zinc/56/95/97/419569597.db2.gz ODASKPFKYFQDCS-ZDUSSCGKSA-N 2 2 296.415 -0.392 20 0 CBADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000662272211 419569734 /nfs/dbraw/zinc/56/97/34/419569734.db2.gz MDEAPXBSDGFWBV-STQMWFEESA-N 3 2 284.404 -0.706 20 0 CBADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000662272211 419569740 /nfs/dbraw/zinc/56/97/40/419569740.db2.gz MDEAPXBSDGFWBV-STQMWFEESA-N 3 2 284.404 -0.706 20 0 CBADLP CCC[NH+]1CCC(NC(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000236775856 419570211 /nfs/dbraw/zinc/57/02/11/419570211.db2.gz APACWAYYBQGNCI-UHFFFAOYSA-N 2 2 282.388 -0.591 20 0 CBADLP CC[NH+](CC)C[C@@H]1CCN(C(=O)CN2CC[NH2+]CC2=O)C1 ZINC000236900320 419570408 /nfs/dbraw/zinc/57/04/08/419570408.db2.gz LZKQCUWHKSVRPY-ZDUSSCGKSA-N 2 2 296.415 -0.392 20 0 CBADLP COCCN1CC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1=O ZINC000662278868 419571515 /nfs/dbraw/zinc/57/15/15/419571515.db2.gz BNLMYSWORJRYFD-LBPRGKRZSA-N 2 2 283.372 -0.702 20 0 CBADLP COCCN1CC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1=O ZINC000662278868 419571521 /nfs/dbraw/zinc/57/15/21/419571521.db2.gz BNLMYSWORJRYFD-LBPRGKRZSA-N 2 2 283.372 -0.702 20 0 CBADLP CCCC[NH+]1CCC(NC(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000236757634 419572813 /nfs/dbraw/zinc/57/28/13/419572813.db2.gz FSBVSBBBKGBPOB-UHFFFAOYSA-N 2 2 296.415 -0.201 20 0 CBADLP CC[NH+]1CCC(NC(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000236855643 419573027 /nfs/dbraw/zinc/57/30/27/419573027.db2.gz KWFXGUUALDMNKC-UHFFFAOYSA-N 2 2 268.361 -0.981 20 0 CBADLP CC1CC[NH+](CCNC(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000236704551 419573393 /nfs/dbraw/zinc/57/33/93/419573393.db2.gz WTFNTNWRNSBTKN-UHFFFAOYSA-N 2 2 282.388 -0.734 20 0 CBADLP Nc1nc(N2CC[NH+](CCO)CC2)c2c([nH+]1)CCCC2 ZINC000645095963 419574549 /nfs/dbraw/zinc/57/45/49/419574549.db2.gz SQPDTSSGRQXRQH-UHFFFAOYSA-N 2 2 277.372 0.052 20 0 CBADLP CN(C)c1noc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)n1 ZINC000662276754 419575089 /nfs/dbraw/zinc/57/50/89/419575089.db2.gz PMBVZGWUBLXTQZ-LLVKDONJSA-N 2 2 280.376 -0.385 20 0 CBADLP CN(C)c1noc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)n1 ZINC000662276754 419575099 /nfs/dbraw/zinc/57/50/99/419575099.db2.gz PMBVZGWUBLXTQZ-LLVKDONJSA-N 2 2 280.376 -0.385 20 0 CBADLP c1cnc(N[C@@H]2CC[N@@H+](C[C@@H]3C[NH2+]CCO3)C2)nc1 ZINC000662282291 419575491 /nfs/dbraw/zinc/57/54/91/419575491.db2.gz FNSDJQIIQZBILV-NEPJUHHUSA-N 2 2 263.345 -0.049 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@]2(C)CC[NH2+]C2)CC1 ZINC000237114073 419576311 /nfs/dbraw/zinc/57/63/11/419576311.db2.gz IPLUKWLNQQHLEH-CYBMUJFWSA-N 2 2 255.362 -0.223 20 0 CBADLP C[C@@H]1CN(C(=O)C[NH2+]C2(CO)CC[NH2+]CC2)C[C@H](C)O1 ZINC000662286226 419577050 /nfs/dbraw/zinc/57/70/50/419577050.db2.gz NPKJOSHWRSIJOJ-TXEJJXNPSA-N 2 2 285.388 -0.674 20 0 CBADLP O=C1[C@H]([NH2+]C2(CO)CC[NH2+]CC2)CCN1CC(F)(F)F ZINC000662286741 419577420 /nfs/dbraw/zinc/57/74/20/419577420.db2.gz KPOPHBRZPRIFBG-SECBINFHSA-N 2 2 295.305 -0.146 20 0 CBADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000662287242 419577775 /nfs/dbraw/zinc/57/77/75/419577775.db2.gz WJVVNJHKBLCRLF-GJZGRUSLSA-N 3 2 293.411 -0.379 20 0 CBADLP C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+](C)CC(C)(C)[NH3+] ZINC000662297725 419582372 /nfs/dbraw/zinc/58/23/72/419582372.db2.gz PPZREJQEKOYLAF-QWRGUYRKSA-N 2 2 284.404 -0.232 20 0 CBADLP C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+](C)CC(C)(C)[NH3+] ZINC000662297725 419582378 /nfs/dbraw/zinc/58/23/78/419582378.db2.gz PPZREJQEKOYLAF-QWRGUYRKSA-N 2 2 284.404 -0.232 20 0 CBADLP C[C@H](CC[NH+]1CCOCC1)NC(=O)[C@@H]1COCC[NH2+]1 ZINC000237449364 419583208 /nfs/dbraw/zinc/58/32/08/419583208.db2.gz ZZDDACXHKXKABU-NEPJUHHUSA-N 2 2 271.361 -0.798 20 0 CBADLP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)CN1CC[NH2+]CC1=O ZINC000237977244 419586681 /nfs/dbraw/zinc/58/66/81/419586681.db2.gz SESDUTRIGGCUPI-MNOVXSKESA-N 2 2 268.361 -0.948 20 0 CBADLP CC(C)OC[C@H]([NH3+])C(=O)NCCC[NH+]1CCOCC1 ZINC000662348762 419589125 /nfs/dbraw/zinc/58/91/25/419589125.db2.gz VJTQHNBYTUTVGQ-LBPRGKRZSA-N 2 2 273.377 -0.423 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)NCCC[NH+]1CCCC1 ZINC000238105738 419589494 /nfs/dbraw/zinc/58/94/94/419589494.db2.gz BYEUQRBIWDGBSN-UHFFFAOYSA-N 2 2 268.361 -0.980 20 0 CBADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CC(C)(CO)CO)C[C@@H](C)O1 ZINC000647526545 419602406 /nfs/dbraw/zinc/60/24/06/419602406.db2.gz CXENMTAOCYBZHX-UPJWGTAASA-N 2 2 290.404 -0.963 20 0 CBADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CC(C)(CO)CO)C[C@H](C)O1 ZINC000647526546 419603410 /nfs/dbraw/zinc/60/34/10/419603410.db2.gz CXENMTAOCYBZHX-XQQFMLRXSA-N 2 2 290.404 -0.963 20 0 CBADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CC(C)(CO)CO)C[C@H](C)O1 ZINC000647526546 419603420 /nfs/dbraw/zinc/60/34/20/419603420.db2.gz CXENMTAOCYBZHX-XQQFMLRXSA-N 2 2 290.404 -0.963 20 0 CBADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CC(C)(CO)CO)C[C@H](C)O1 ZINC000647526543 419604145 /nfs/dbraw/zinc/60/41/45/419604145.db2.gz CXENMTAOCYBZHX-FRRDWIJNSA-N 2 2 290.404 -0.963 20 0 CBADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CC(C)(CO)CO)C[C@H](C)O1 ZINC000647526543 419604150 /nfs/dbraw/zinc/60/41/50/419604150.db2.gz CXENMTAOCYBZHX-FRRDWIJNSA-N 2 2 290.404 -0.963 20 0 CBADLP Cn1cc(C[N@@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)c(=O)n(C)c1=O ZINC000647533040 419604325 /nfs/dbraw/zinc/60/43/25/419604325.db2.gz KFJHUQXSSZGFDK-CMPLNLGQSA-N 2 2 278.356 -0.732 20 0 CBADLP Cn1cc(C[N@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)c(=O)n(C)c1=O ZINC000647533040 419604328 /nfs/dbraw/zinc/60/43/28/419604328.db2.gz KFJHUQXSSZGFDK-CMPLNLGQSA-N 2 2 278.356 -0.732 20 0 CBADLP CC(C)OC[C@H]([NH3+])C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000662444957 419606631 /nfs/dbraw/zinc/60/66/31/419606631.db2.gz LBYZNIOXOFOTEE-RYUDHWBXSA-N 2 2 273.377 -0.424 20 0 CBADLP CC(C)OC[C@H]([NH3+])C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000662444957 419606637 /nfs/dbraw/zinc/60/66/37/419606637.db2.gz LBYZNIOXOFOTEE-RYUDHWBXSA-N 2 2 273.377 -0.424 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@](CO)(OC)C1 ZINC000401791254 544585627 /nfs/dbraw/zinc/58/56/27/544585627.db2.gz HDLFYFMHVKCOCM-KBPBESRZSA-N 2 2 290.404 -0.601 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000311081374 419620180 /nfs/dbraw/zinc/62/01/80/419620180.db2.gz WTVUJEPCHIKXAI-XQQFMLRXSA-N 3 2 257.378 -0.923 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@](CO)(OC)C1 ZINC000401791254 544585632 /nfs/dbraw/zinc/58/56/32/544585632.db2.gz HDLFYFMHVKCOCM-KBPBESRZSA-N 2 2 290.404 -0.601 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@](CO)(OC)C1 ZINC000401791254 544585636 /nfs/dbraw/zinc/58/56/36/544585636.db2.gz HDLFYFMHVKCOCM-KBPBESRZSA-N 2 2 290.404 -0.601 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000311081374 419620186 /nfs/dbraw/zinc/62/01/86/419620186.db2.gz WTVUJEPCHIKXAI-XQQFMLRXSA-N 3 2 257.378 -0.923 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000311081374 419620192 /nfs/dbraw/zinc/62/01/92/419620192.db2.gz WTVUJEPCHIKXAI-XQQFMLRXSA-N 3 2 257.378 -0.923 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000311081374 419620197 /nfs/dbraw/zinc/62/01/97/419620197.db2.gz WTVUJEPCHIKXAI-XQQFMLRXSA-N 3 2 257.378 -0.923 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC(OCCO)CC1 ZINC000313088300 419625370 /nfs/dbraw/zinc/62/53/70/419625370.db2.gz MLCCOWFLBFFNRC-CYBMUJFWSA-N 2 2 290.404 -0.601 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(OCCO)CC1 ZINC000313088300 419625373 /nfs/dbraw/zinc/62/53/73/419625373.db2.gz MLCCOWFLBFFNRC-CYBMUJFWSA-N 2 2 290.404 -0.601 20 0 CBADLP O=C(CCn1cc[nH+]c1)N[C@H](CO)C[NH+]1CCOCC1 ZINC000647662377 419630894 /nfs/dbraw/zinc/63/08/94/419630894.db2.gz ZQGBTLFBTGUNPI-LBPRGKRZSA-N 2 2 282.344 -0.918 20 0 CBADLP CNC(=O)[C@@H](NC(=O)C[N@H+](C)CCC[NH3+])c1ccccc1 ZINC000647848353 419667428 /nfs/dbraw/zinc/66/74/28/419667428.db2.gz NFIDPSZYHCOLLY-AWEZNQCLSA-N 2 2 292.383 -0.130 20 0 CBADLP CNC(=O)[C@@H](NC(=O)C[N@@H+](C)CCC[NH3+])c1ccccc1 ZINC000647848353 419667433 /nfs/dbraw/zinc/66/74/33/419667433.db2.gz NFIDPSZYHCOLLY-AWEZNQCLSA-N 2 2 292.383 -0.130 20 0 CBADLP Nc1[nH+]cnc(NC[C@@H]2C[NH2+]CCCO2)c1Cl ZINC000333642978 419669322 /nfs/dbraw/zinc/66/93/22/419669322.db2.gz INTNICCFYGPDNT-ZETCQYMHSA-N 2 2 257.725 0.503 20 0 CBADLP Nc1nc[nH+]c(NC[C@@H]2C[NH2+]CCCO2)c1Cl ZINC000333642978 419669330 /nfs/dbraw/zinc/66/93/30/419669330.db2.gz INTNICCFYGPDNT-ZETCQYMHSA-N 2 2 257.725 0.503 20 0 CBADLP O=C(C[C@H]1C[NH2+]CCO1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000662655819 419669811 /nfs/dbraw/zinc/66/98/11/419669811.db2.gz KXDYUEITIYMPBR-STQMWFEESA-N 2 2 283.372 -0.702 20 0 CBADLP CC[C@H]([NH2+]C)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000662655505 419670512 /nfs/dbraw/zinc/67/05/12/419670512.db2.gz ILDMFBJDPWECJM-RYUDHWBXSA-N 2 2 255.362 -0.083 20 0 CBADLP c1nc(NCCCC[NH+]2CCOCC2)c2c([nH+]1)NCCO2 ZINC000647856793 419672285 /nfs/dbraw/zinc/67/22/85/419672285.db2.gz RPUDKOCARUPEKO-UHFFFAOYSA-N 2 2 293.371 -0.082 20 0 CBADLP c1nc2c(c(NCCCC[NH+]3CCOCC3)[nH+]1)OCCN2 ZINC000647856793 419672297 /nfs/dbraw/zinc/67/22/97/419672297.db2.gz RPUDKOCARUPEKO-UHFFFAOYSA-N 2 2 293.371 -0.082 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@H]2[NH2+]CCC2(C)C)CC1 ZINC000662679830 419676999 /nfs/dbraw/zinc/67/69/99/419676999.db2.gz CMDQVGSNFSKJHQ-CYBMUJFWSA-N 2 2 296.415 -0.345 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000662679577 419677455 /nfs/dbraw/zinc/67/74/55/419677455.db2.gz AJVQEVLSJWYEKU-WOPDTQHZSA-N 2 2 271.361 -0.813 20 0 CBADLP CC1CCC(NC(=O)C[N@H+](C)C[C@@H](O)C[NH3+])CC1 ZINC000336794465 419677810 /nfs/dbraw/zinc/67/78/10/419677810.db2.gz CFGMZNMOIIXGQA-MCIGGMRASA-N 2 2 257.378 -0.067 20 0 CBADLP CC1CCC(NC(=O)C[N@@H+](C)C[C@@H](O)C[NH3+])CC1 ZINC000336794465 419677815 /nfs/dbraw/zinc/67/78/15/419677815.db2.gz CFGMZNMOIIXGQA-MCIGGMRASA-N 2 2 257.378 -0.067 20 0 CBADLP CC[C@@H]([NH2+]C)C(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000662669984 419679243 /nfs/dbraw/zinc/67/92/43/419679243.db2.gz BLWOEIDRQMDJPO-WCQYABFASA-N 2 2 296.415 -0.204 20 0 CBADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)C1(O)C[NH2+]C1 ZINC000662672617 419679306 /nfs/dbraw/zinc/67/93/06/419679306.db2.gz CUVDYQJOAJYQSZ-UHFFFAOYSA-N 2 2 276.340 -0.368 20 0 CBADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000662671649 419679348 /nfs/dbraw/zinc/67/93/48/419679348.db2.gz PNNBMILIBQSFJT-SRVKXCTJSA-N 2 2 294.399 -0.465 20 0 CBADLP O=C([C@H]1CCCO1)N1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000647872212 419679452 /nfs/dbraw/zinc/67/94/52/419679452.db2.gz HEPXLZIYGULBPI-QWHCGFSZSA-N 2 2 267.373 -0.081 20 0 CBADLP NC(=O)[C@H]1c2ccccc2CC[N@H+]1CCN1CC[NH2+]CC1 ZINC000647882597 419683495 /nfs/dbraw/zinc/68/34/95/419683495.db2.gz ANFFIXTWGPZATC-OAHLLOKOSA-N 2 2 288.395 -0.024 20 0 CBADLP NC(=O)[C@H]1c2ccccc2CC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000647882597 419683505 /nfs/dbraw/zinc/68/35/05/419683505.db2.gz ANFFIXTWGPZATC-OAHLLOKOSA-N 2 2 288.395 -0.024 20 0 CBADLP Cc1ccc2[nH+]c(CNC(=O)C3(O)C[NH2+]C3)cn2c1 ZINC000662688078 419684766 /nfs/dbraw/zinc/68/47/66/419684766.db2.gz IQACGKPXPLDMHB-UHFFFAOYSA-N 2 2 260.297 -0.407 20 0 CBADLP c1nc(NCC[N@@H+]2CCCOCC2)c2c([nH+]1)NCCO2 ZINC000647879193 419685175 /nfs/dbraw/zinc/68/51/75/419685175.db2.gz QAWGUOVFLGUNLI-UHFFFAOYSA-N 2 2 279.344 -0.472 20 0 CBADLP c1nc(NCC[N@H+]2CCCOCC2)c2c([nH+]1)NCCO2 ZINC000647879193 419685180 /nfs/dbraw/zinc/68/51/80/419685180.db2.gz QAWGUOVFLGUNLI-UHFFFAOYSA-N 2 2 279.344 -0.472 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1CCO[C@@H]1C[NH3+])Cn1cc[nH+]c1 ZINC000662689317 419685576 /nfs/dbraw/zinc/68/55/76/419685576.db2.gz UINFPOCLUNBWQS-IJLUTSLNSA-N 2 2 266.345 -0.001 20 0 CBADLP CCN1C(=O)[C@H]2C[N@H+](CCC[NH2+]C)CCN2C1=O ZINC000647891524 419687812 /nfs/dbraw/zinc/68/78/12/419687812.db2.gz LXCRIPMOAPMNRF-SNVBAGLBSA-N 2 2 254.334 -0.436 20 0 CBADLP CCN1C(=O)[C@H]2C[N@@H+](CCC[NH2+]C)CCN2C1=O ZINC000647891524 419687816 /nfs/dbraw/zinc/68/78/16/419687816.db2.gz LXCRIPMOAPMNRF-SNVBAGLBSA-N 2 2 254.334 -0.436 20 0 CBADLP CS(=O)(=O)NCC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647904130 419689081 /nfs/dbraw/zinc/68/90/81/419689081.db2.gz XKRWBJRHMRYNKH-NWDGAFQWSA-N 2 2 275.418 0.000 20 0 CBADLP CS(=O)(=O)NCC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647904130 419689090 /nfs/dbraw/zinc/68/90/90/419689090.db2.gz XKRWBJRHMRYNKH-NWDGAFQWSA-N 2 2 275.418 0.000 20 0 CBADLP CC(=O)N1CCN(C(=O)[C@@H](C)[NH+]2CCC(C)([NH3+])CC2)CC1 ZINC000647925627 419690433 /nfs/dbraw/zinc/69/04/33/419690433.db2.gz QPVXEJFLQSUROJ-GFCCVEGCSA-N 2 2 296.415 -0.121 20 0 CBADLP C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)[NH+]1CCC(C)([NH3+])CC1 ZINC000647925408 419691235 /nfs/dbraw/zinc/69/12/35/419691235.db2.gz HPTHIULGQJWCAP-RYUDHWBXSA-N 2 2 296.415 -0.088 20 0 CBADLP COCCCS(=O)(=O)NCC[NH+]1CCC(C)([NH3+])CC1 ZINC000647924740 419691465 /nfs/dbraw/zinc/69/14/65/419691465.db2.gz GVEYMSPTTIMWAI-UHFFFAOYSA-N 2 2 293.433 -0.245 20 0 CBADLP CC1(C)C[N@H+](CCNC(=O)[C@@H]2CCO[C@H]2C[NH3+])CCO1 ZINC000662702082 419693112 /nfs/dbraw/zinc/69/31/12/419693112.db2.gz XCDPINSIJXYBJO-NEPJUHHUSA-N 2 2 285.388 -0.423 20 0 CBADLP CC1(C)C[N@@H+](CCNC(=O)[C@@H]2CCO[C@H]2C[NH3+])CCO1 ZINC000662702082 419693125 /nfs/dbraw/zinc/69/31/25/419693125.db2.gz XCDPINSIJXYBJO-NEPJUHHUSA-N 2 2 285.388 -0.423 20 0 CBADLP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[NH+]1CCC(C)([NH3+])CC1 ZINC000647925406 419694134 /nfs/dbraw/zinc/69/41/34/419694134.db2.gz HPTHIULGQJWCAP-NEPJUHHUSA-N 2 2 296.415 -0.088 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1C(=O)NC ZINC000647967046 419695888 /nfs/dbraw/zinc/69/58/88/419695888.db2.gz OBVGODQISQKQRE-NWDGAFQWSA-N 2 2 257.378 -0.101 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1C(=O)NC ZINC000647967046 419695899 /nfs/dbraw/zinc/69/58/99/419695899.db2.gz OBVGODQISQKQRE-NWDGAFQWSA-N 2 2 257.378 -0.101 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@@H]1C(=O)NC ZINC000647967046 419695905 /nfs/dbraw/zinc/69/59/05/419695905.db2.gz OBVGODQISQKQRE-NWDGAFQWSA-N 2 2 257.378 -0.101 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@@H]1C(=O)NC ZINC000647967046 419695915 /nfs/dbraw/zinc/69/59/15/419695915.db2.gz OBVGODQISQKQRE-NWDGAFQWSA-N 2 2 257.378 -0.101 20 0 CBADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCCN(C(N)=O)CC1 ZINC000647962309 419695946 /nfs/dbraw/zinc/69/59/46/419695946.db2.gz YPKILWZWZBGPLK-LBPRGKRZSA-N 2 2 272.393 -0.226 20 0 CBADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCCN(C(N)=O)CC1 ZINC000647962309 419695954 /nfs/dbraw/zinc/69/59/54/419695954.db2.gz YPKILWZWZBGPLK-LBPRGKRZSA-N 2 2 272.393 -0.226 20 0 CBADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCCN(C(N)=O)CC1 ZINC000647962309 419695962 /nfs/dbraw/zinc/69/59/62/419695962.db2.gz YPKILWZWZBGPLK-LBPRGKRZSA-N 2 2 272.393 -0.226 20 0 CBADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCCN(C(N)=O)CC1 ZINC000647962309 419695971 /nfs/dbraw/zinc/69/59/71/419695971.db2.gz YPKILWZWZBGPLK-LBPRGKRZSA-N 2 2 272.393 -0.226 20 0 CBADLP CNC(=O)[C@H]1CCC[N@@H+]1C[C@@H](O)C[NH+](C)CCOC ZINC000647960824 419696073 /nfs/dbraw/zinc/69/60/73/419696073.db2.gz MHECBDNOTPLZCF-NWDGAFQWSA-N 2 2 273.377 -0.864 20 0 CBADLP CNC(=O)[C@H]1CCC[N@H+]1C[C@@H](O)C[NH+](C)CCOC ZINC000647960824 419696077 /nfs/dbraw/zinc/69/60/77/419696077.db2.gz MHECBDNOTPLZCF-NWDGAFQWSA-N 2 2 273.377 -0.864 20 0 CBADLP CNC(=O)[C@H]1CCC[NH+]1C[C@@H](O)C[N@H+](C)CCOC ZINC000647960824 419696086 /nfs/dbraw/zinc/69/60/86/419696086.db2.gz MHECBDNOTPLZCF-NWDGAFQWSA-N 2 2 273.377 -0.864 20 0 CBADLP CNC(=O)[C@H]1CCC[NH+]1C[C@@H](O)C[N@@H+](C)CCOC ZINC000647960824 419696092 /nfs/dbraw/zinc/69/60/92/419696092.db2.gz MHECBDNOTPLZCF-NWDGAFQWSA-N 2 2 273.377 -0.864 20 0 CBADLP Cn1c(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc(=O)n(C)c1=O ZINC000647957111 419699397 /nfs/dbraw/zinc/69/93/97/419699397.db2.gz RSEWHISJSNCCBF-OAHLLOKOSA-N 2 2 292.383 -0.341 20 0 CBADLP Cn1c(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc(=O)n(C)c1=O ZINC000647957111 419699408 /nfs/dbraw/zinc/69/94/08/419699408.db2.gz RSEWHISJSNCCBF-OAHLLOKOSA-N 2 2 292.383 -0.341 20 0 CBADLP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CC(=O)Nc2ccon2)CC1 ZINC000647983814 419703318 /nfs/dbraw/zinc/70/33/18/419703318.db2.gz QVARMSGSGKXBNX-RISCZKNCSA-N 2 2 294.355 0.441 20 0 CBADLP O=C(CC[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1)N1CC[NH2+]CC1 ZINC000647987651 419703503 /nfs/dbraw/zinc/70/35/03/419703503.db2.gz NUICXOQVMMYUQF-QWHCGFSZSA-N 3 2 266.389 -0.508 20 0 CBADLP O=C(CC[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1)N1CC[NH2+]CC1 ZINC000647987651 419703510 /nfs/dbraw/zinc/70/35/10/419703510.db2.gz NUICXOQVMMYUQF-QWHCGFSZSA-N 3 2 266.389 -0.508 20 0 CBADLP O=C(CC[N@@H+]1CC[C@H]2CC[NH2+][C@H]2C1)N1CC[NH2+]CC1 ZINC000647987650 419704501 /nfs/dbraw/zinc/70/45/01/419704501.db2.gz NUICXOQVMMYUQF-OLZOCXBDSA-N 3 2 266.389 -0.508 20 0 CBADLP O=C(CC[N@H+]1CC[C@H]2CC[NH2+][C@H]2C1)N1CC[NH2+]CC1 ZINC000647987650 419704507 /nfs/dbraw/zinc/70/45/07/419704507.db2.gz NUICXOQVMMYUQF-OLZOCXBDSA-N 3 2 266.389 -0.508 20 0 CBADLP C[C@H](CCCCNC(=O)C[NH+](C)C)NC(=O)C[NH+](C)C ZINC000647776970 419653195 /nfs/dbraw/zinc/65/31/95/419653195.db2.gz JKOHKOVFULUJBY-GFCCVEGCSA-N 2 2 286.420 -0.099 20 0 CBADLP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)CN2CC[NH2+]CC2=O)C1 ZINC000662621504 419654448 /nfs/dbraw/zinc/65/44/48/419654448.db2.gz IOGWFAANKYXHFG-LLVKDONJSA-N 2 2 282.388 -0.593 20 0 CBADLP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)CN2CC[NH2+]CC2=O)C1 ZINC000662621504 419654452 /nfs/dbraw/zinc/65/44/52/419654452.db2.gz IOGWFAANKYXHFG-LLVKDONJSA-N 2 2 282.388 -0.593 20 0 CBADLP CC(C)OC[C@H]([NH3+])C(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000662633426 419656839 /nfs/dbraw/zinc/65/68/39/419656839.db2.gz LAGLFMWIBFZCKC-AVGNSLFASA-N 2 2 287.404 -0.036 20 0 CBADLP CC(C)OC[C@H]([NH3+])C(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000662633426 419656845 /nfs/dbraw/zinc/65/68/45/419656845.db2.gz LAGLFMWIBFZCKC-AVGNSLFASA-N 2 2 287.404 -0.036 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2C[NH2+]CCO2)[C@H](C)CO1 ZINC000662631163 419657263 /nfs/dbraw/zinc/65/72/63/419657263.db2.gz POJPWZNOUAVBRC-UTUOFQBUSA-N 2 2 271.361 -0.800 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2C[NH2+]CCO2)[C@H](C)CO1 ZINC000662631163 419657268 /nfs/dbraw/zinc/65/72/68/419657268.db2.gz POJPWZNOUAVBRC-UTUOFQBUSA-N 2 2 271.361 -0.800 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2C[NH2+]CCO2)[C@@H](C)CO1 ZINC000662631161 419657555 /nfs/dbraw/zinc/65/75/55/419657555.db2.gz POJPWZNOUAVBRC-TUAOUCFPSA-N 2 2 271.361 -0.800 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2C[NH2+]CCO2)[C@@H](C)CO1 ZINC000662631161 419657560 /nfs/dbraw/zinc/65/75/60/419657560.db2.gz POJPWZNOUAVBRC-TUAOUCFPSA-N 2 2 271.361 -0.800 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@]1(C)CC[NH2+]C1 ZINC000662634420 419657829 /nfs/dbraw/zinc/65/78/29/419657829.db2.gz RTTJMITUCXNFAN-CQSZACIVSA-N 3 2 270.421 -0.014 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@]1(C)CC[NH2+]C1 ZINC000662634420 419657833 /nfs/dbraw/zinc/65/78/33/419657833.db2.gz RTTJMITUCXNFAN-CQSZACIVSA-N 3 2 270.421 -0.014 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)C[NH2+]C2CC2)[C@@H](C)CO1 ZINC000662629672 419657903 /nfs/dbraw/zinc/65/79/03/419657903.db2.gz GFUJPLZIFIDJQM-WDEREUQCSA-N 2 2 255.362 -0.036 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)C[NH2+]C2CC2)[C@@H](C)CO1 ZINC000662629672 419657912 /nfs/dbraw/zinc/65/79/12/419657912.db2.gz GFUJPLZIFIDJQM-WDEREUQCSA-N 2 2 255.362 -0.036 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000662629934 419659233 /nfs/dbraw/zinc/65/92/33/419659233.db2.gz BJMQZRPTXJTJCL-UKRRQHHQSA-N 3 2 282.432 -0.014 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000662629934 419659243 /nfs/dbraw/zinc/65/92/43/419659243.db2.gz BJMQZRPTXJTJCL-UKRRQHHQSA-N 3 2 282.432 -0.014 20 0 CBADLP C[C@H](C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)[NH+]1CCN(C)CC1 ZINC000648124128 419739071 /nfs/dbraw/zinc/73/90/71/419739071.db2.gz RPJPYPBFNNYERT-RDBSUJKOSA-N 2 2 280.416 -0.167 20 0 CBADLP COCCOCC[NH+]1CCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000662831465 419739245 /nfs/dbraw/zinc/73/92/45/419739245.db2.gz DHUJNMJZACTVLS-KGLIPLIRSA-N 2 2 299.415 -0.079 20 0 CBADLP Cc1nc(N[C@@H](CO)C[NH+]2CCCCC2)nc(N(C)C)[nH+]1 ZINC000346100654 419786726 /nfs/dbraw/zinc/78/67/26/419786726.db2.gz KBXOLGSLZWQYGE-GFCCVEGCSA-N 2 2 294.403 0.505 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)[C@H](C)CO1 ZINC000662858766 419752219 /nfs/dbraw/zinc/75/22/19/419752219.db2.gz IAFXNDRPEZOKDF-VEGXAWMVSA-N 2 2 267.373 -0.038 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)[C@H](C)CO1 ZINC000662858766 419752227 /nfs/dbraw/zinc/75/22/27/419752227.db2.gz IAFXNDRPEZOKDF-VEGXAWMVSA-N 2 2 267.373 -0.038 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]2CSC[NH2+]2)[C@H](C)CO1 ZINC000662859278 419753258 /nfs/dbraw/zinc/75/32/58/419753258.db2.gz MGLNQCQXCQISAQ-GMTAPVOTSA-N 2 2 273.402 -0.126 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2CSC[NH2+]2)[C@H](C)CO1 ZINC000662859278 419753265 /nfs/dbraw/zinc/75/32/65/419753265.db2.gz MGLNQCQXCQISAQ-GMTAPVOTSA-N 2 2 273.402 -0.126 20 0 CBADLP CC(=O)N1CCN(CC[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000343278453 419754800 /nfs/dbraw/zinc/75/48/00/419754800.db2.gz JXBVXWMDTFDIQX-TZMCWYRMSA-N 2 2 268.405 -0.310 20 0 CBADLP CC(=O)N1CCN(CC[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000343278453 419754807 /nfs/dbraw/zinc/75/48/07/419754807.db2.gz JXBVXWMDTFDIQX-TZMCWYRMSA-N 2 2 268.405 -0.310 20 0 CBADLP O=C([C@H]1CSC[NH2+]1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000662871357 419755672 /nfs/dbraw/zinc/75/56/72/419755672.db2.gz YQWIRSNQUDKWNG-WDEREUQCSA-N 2 2 271.386 -0.418 20 0 CBADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000662860901 419756337 /nfs/dbraw/zinc/75/63/37/419756337.db2.gz VHQBZSVKLDQRHB-GRYCIOLGSA-N 2 2 255.362 -0.036 20 0 CBADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000662860901 419756341 /nfs/dbraw/zinc/75/63/41/419756341.db2.gz VHQBZSVKLDQRHB-GRYCIOLGSA-N 2 2 255.362 -0.036 20 0 CBADLP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000662870311 419756686 /nfs/dbraw/zinc/75/66/86/419756686.db2.gz CVWTWVGDLKSIHN-AGIUHOORSA-N 2 2 283.372 -0.717 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CCO[C@@H]2C[NH3+])[C@H](C)CO1 ZINC000662861257 419757099 /nfs/dbraw/zinc/75/70/99/419757099.db2.gz ZEHQWTYHCGTFSJ-FDYHWXHSSA-N 2 2 285.388 -0.424 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2CCO[C@@H]2C[NH3+])[C@H](C)CO1 ZINC000662861257 419757108 /nfs/dbraw/zinc/75/71/08/419757108.db2.gz ZEHQWTYHCGTFSJ-FDYHWXHSSA-N 2 2 285.388 -0.424 20 0 CBADLP [NH3+][C@H]1C[C@H](C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000662870355 419757584 /nfs/dbraw/zinc/75/75/84/419757584.db2.gz FGMFQAQYUYGAIM-SRVKXCTJSA-N 2 2 253.346 -0.343 20 0 CBADLP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000662870898 419757952 /nfs/dbraw/zinc/75/79/52/419757952.db2.gz PGFRUICIQRZVBR-NDBYEHHHSA-N 2 2 265.357 -0.615 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000648180461 419768957 /nfs/dbraw/zinc/76/89/57/419768957.db2.gz CIAVDPJWDRHSDN-LLVKDONJSA-N 2 2 280.372 -0.791 20 0 CBADLP CN(CCC[NH3+])C(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000662921718 419776094 /nfs/dbraw/zinc/77/60/94/419776094.db2.gz DKTBRWPGLFRKQD-UHFFFAOYSA-N 2 2 268.361 -0.900 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000663013011 419809145 /nfs/dbraw/zinc/80/91/45/419809145.db2.gz HCRCMURJTVKSLM-ZDUSSCGKSA-N 2 2 270.377 -0.689 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000663013011 419809151 /nfs/dbraw/zinc/80/91/51/419809151.db2.gz HCRCMURJTVKSLM-ZDUSSCGKSA-N 2 2 270.377 -0.689 20 0 CBADLP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)CCc1[nH]cc[nH+]1 ZINC000649070261 419833320 /nfs/dbraw/zinc/83/33/20/419833320.db2.gz LAMLHAUUURQENB-NSHDSACASA-N 2 2 293.371 -0.079 20 0 CBADLP CC(=O)NCCNC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000663435723 419840501 /nfs/dbraw/zinc/84/05/01/419840501.db2.gz CAYYJFUPOKLSIX-UHFFFAOYSA-N 2 2 287.408 -0.695 20 0 CBADLP CC(=O)NCCNC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000663435723 419840508 /nfs/dbraw/zinc/84/05/08/419840508.db2.gz CAYYJFUPOKLSIX-UHFFFAOYSA-N 2 2 287.408 -0.695 20 0 CBADLP C[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000649211584 419852889 /nfs/dbraw/zinc/85/28/89/419852889.db2.gz VPLZVIVGEIQLHK-OLZOCXBDSA-N 2 2 292.383 -0.030 20 0 CBADLP CN(Cc1c[nH+]c[nH]1)C(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000662948430 419790667 /nfs/dbraw/zinc/79/06/67/419790667.db2.gz KCTWOONXAFYZQW-SNVBAGLBSA-N 2 2 265.317 -0.682 20 0 CBADLP CN(Cc1c[nH]c[nH+]1)C(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000662948430 419790671 /nfs/dbraw/zinc/79/06/71/419790671.db2.gz KCTWOONXAFYZQW-SNVBAGLBSA-N 2 2 265.317 -0.682 20 0 CBADLP C[C@@H]1CN(C(=O)C(=O)N(C)Cc2c[nH+]c[nH]2)[C@@H](C)C[NH2+]1 ZINC000662954485 419793821 /nfs/dbraw/zinc/79/38/21/419793821.db2.gz MGYZZBWSJZOCRU-ZJUUUORDSA-N 2 2 279.344 -0.423 20 0 CBADLP C[C@@H]1CN(C(=O)C(=O)N(C)Cc2c[nH]c[nH+]2)[C@@H](C)C[NH2+]1 ZINC000662954485 419793826 /nfs/dbraw/zinc/79/38/26/419793826.db2.gz MGYZZBWSJZOCRU-ZJUUUORDSA-N 2 2 279.344 -0.423 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@]2(C)CCC[NH2+]2)CCO1 ZINC000649312181 419872821 /nfs/dbraw/zinc/87/28/21/419872821.db2.gz WUYINLSNFIUVKZ-YPMHNXCESA-N 2 2 255.362 -0.035 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@]2(C)CCC[NH2+]2)CCO1 ZINC000649312181 419872823 /nfs/dbraw/zinc/87/28/23/419872823.db2.gz WUYINLSNFIUVKZ-YPMHNXCESA-N 2 2 255.362 -0.035 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)COC2CC[NH2+]CC2)CCO1 ZINC000649312294 419875105 /nfs/dbraw/zinc/87/51/05/419875105.db2.gz FYRFBIKRAOKZEH-GFCCVEGCSA-N 2 2 285.388 -0.408 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)COC2CC[NH2+]CC2)CCO1 ZINC000649312294 419875107 /nfs/dbraw/zinc/87/51/07/419875107.db2.gz FYRFBIKRAOKZEH-GFCCVEGCSA-N 2 2 285.388 -0.408 20 0 CBADLP C[C@@H](CCNC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C)[NH+](C)C ZINC000664082229 419880637 /nfs/dbraw/zinc/88/06/37/419880637.db2.gz ACOLMKMNFUVCQO-QWHCGFSZSA-N 2 2 285.436 -0.128 20 0 CBADLP C[C@@H](CCNC(=O)NC[C@@H]1CN(C)CC[N@H+]1C)[NH+](C)C ZINC000664082229 419880642 /nfs/dbraw/zinc/88/06/42/419880642.db2.gz ACOLMKMNFUVCQO-QWHCGFSZSA-N 2 2 285.436 -0.128 20 0 CBADLP Cn1cc[nH+]c1CNC(=O)CN1CCCC[C@H]([NH3+])C1=O ZINC000649321556 419881527 /nfs/dbraw/zinc/88/15/27/419881527.db2.gz AXVKUZAKMQWGKF-JTQLQIEISA-N 2 2 279.344 -0.624 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@H]3C[C@H](O)C3)C2)CC1 ZINC000664128813 419881824 /nfs/dbraw/zinc/88/18/24/419881824.db2.gz BFSCKFJKJQIRPF-OBJOEFQTSA-N 2 2 296.415 -0.023 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@H]3C[C@H](O)C3)C2)CC1 ZINC000664128813 419881828 /nfs/dbraw/zinc/88/18/28/419881828.db2.gz BFSCKFJKJQIRPF-OBJOEFQTSA-N 2 2 296.415 -0.023 20 0 CBADLP C[C@@H]1CN(c2nc[nH+]c3c2OCCN3)CC[N@@H+]1CCO ZINC000665712782 544613137 /nfs/dbraw/zinc/61/31/37/544613137.db2.gz QXTPIUCMUJXAGI-SNVBAGLBSA-N 2 2 279.344 -0.216 20 0 CBADLP C[C@@H]1CN(c2nc[nH+]c3c2OCCN3)CC[N@H+]1CCO ZINC000665712782 544613140 /nfs/dbraw/zinc/61/31/40/544613140.db2.gz QXTPIUCMUJXAGI-SNVBAGLBSA-N 2 2 279.344 -0.216 20 0 CBADLP C[C@H](NC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)c1[nH+]ccn1C ZINC000667246160 544657885 /nfs/dbraw/zinc/65/78/85/544657885.db2.gz APSZXKPZNBCINQ-SDDRHHMPSA-N 2 2 293.371 -0.059 20 0 CBADLP CN(Cc1c[nH+]c2n1CCC2)C[C@@H](O)C[NH+]1CCOCC1 ZINC000667659614 544668664 /nfs/dbraw/zinc/66/86/64/544668664.db2.gz MWHBLRSPMXUUTO-CQSZACIVSA-N 2 2 294.399 -0.046 20 0 CBADLP CNS(=O)(=O)[C@@H]1CC[N@H+](Cc2c[nH+]c(C)n2C)C1 ZINC000667708652 544672539 /nfs/dbraw/zinc/67/25/39/544672539.db2.gz IWSFMJJYVNVUIU-LLVKDONJSA-N 2 2 272.374 -0.148 20 0 CBADLP CNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2c[nH+]c(C)n2C)C1 ZINC000667708652 544672542 /nfs/dbraw/zinc/67/25/42/544672542.db2.gz IWSFMJJYVNVUIU-LLVKDONJSA-N 2 2 272.374 -0.148 20 0 CBADLP Cn1cc(C[NH+]2CCN(C(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)CC2)cn1 ZINC000649351980 419902946 /nfs/dbraw/zinc/90/29/46/419902946.db2.gz CHEYSXLLISKCCP-WDNDVIMCSA-N 2 2 289.383 -0.470 20 0 CBADLP C[C@@H](C(=O)N1C[C@H](C)[N@@H+](CCO)C[C@@H]1C)[NH+](C)C ZINC000668041769 544682908 /nfs/dbraw/zinc/68/29/08/544682908.db2.gz WLMLKSDHZMAMKA-SRVKXCTJSA-N 2 2 257.378 -0.150 20 0 CBADLP C(C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1)N1CC[NH2+]CC1 ZINC000649413784 419908864 /nfs/dbraw/zinc/90/88/64/419908864.db2.gz DKEIFJFRVILNSA-HNNXBMFYSA-N 3 2 282.432 -0.454 20 0 CBADLP C(C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1)N1CC[NH2+]CC1 ZINC000649413784 419908866 /nfs/dbraw/zinc/90/88/66/419908866.db2.gz DKEIFJFRVILNSA-HNNXBMFYSA-N 3 2 282.432 -0.454 20 0 CBADLP Nc1nsc(N2CC[NH+](C[C@@H]3CC[NH2+]C3)CC2)n1 ZINC000649414042 419909012 /nfs/dbraw/zinc/90/90/12/419909012.db2.gz CPZKFZDUUXKCMT-SECBINFHSA-N 2 2 268.390 -0.148 20 0 CBADLP Cn1cc(N2CC[C@H]([N@H+](C)CCC[NH3+])C2=O)cn1 ZINC000649409954 419910252 /nfs/dbraw/zinc/91/02/52/419910252.db2.gz DDFKBAMZZBLUTF-NSHDSACASA-N 2 2 251.334 -0.194 20 0 CBADLP Cn1cc(N2CC[C@H]([N@@H+](C)CCC[NH3+])C2=O)cn1 ZINC000649409954 419910256 /nfs/dbraw/zinc/91/02/56/419910256.db2.gz DDFKBAMZZBLUTF-NSHDSACASA-N 2 2 251.334 -0.194 20 0 CBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CCNC1=O ZINC000668687094 544715594 /nfs/dbraw/zinc/71/55/94/544715594.db2.gz GLPBBDNUFCNMSK-CYBMUJFWSA-N 2 2 296.415 -0.393 20 0 CBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CCNC1=O ZINC000668687094 544715596 /nfs/dbraw/zinc/71/55/96/544715596.db2.gz GLPBBDNUFCNMSK-CYBMUJFWSA-N 2 2 296.415 -0.393 20 0 CBADLP CC(C[NH+]1CCOC[C@@H](O)C1)C[N@@H+]1CCOC[C@@H](O)C1 ZINC000664774347 419915682 /nfs/dbraw/zinc/91/56/82/419915682.db2.gz MYGMWHZFHZTZFP-KBPBESRZSA-N 2 2 288.388 -0.991 20 0 CBADLP CC(C[NH+]1CCOC[C@@H](O)C1)C[N@H+]1CCOC[C@@H](O)C1 ZINC000664774347 419915686 /nfs/dbraw/zinc/91/56/86/419915686.db2.gz MYGMWHZFHZTZFP-KBPBESRZSA-N 2 2 288.388 -0.991 20 0 CBADLP CO[C@@H]1C[NH+]([C@H](C)CC[N@@H+]2C[C@@H](O)[C@H](OC)C2)C[C@H]1O ZINC000664778554 419915874 /nfs/dbraw/zinc/91/58/74/419915874.db2.gz RKSABLZALPJSDY-DHGKCCLASA-N 2 2 288.388 -0.852 20 0 CBADLP CO[C@@H]1C[NH+]([C@H](C)CC[N@H+]2C[C@@H](O)[C@H](OC)C2)C[C@H]1O ZINC000664778554 419915877 /nfs/dbraw/zinc/91/58/77/419915877.db2.gz RKSABLZALPJSDY-DHGKCCLASA-N 2 2 288.388 -0.852 20 0 CBADLP CO[C@@H]1C[NH+](CC[C@@H](C)[N@@H+]2C[C@@H](O)[C@H](OC)C2)C[C@H]1O ZINC000664778554 419915880 /nfs/dbraw/zinc/91/58/80/419915880.db2.gz RKSABLZALPJSDY-DHGKCCLASA-N 2 2 288.388 -0.852 20 0 CBADLP CO[C@@H]1C[NH+](CC[C@@H](C)[N@H+]2C[C@@H](O)[C@H](OC)C2)C[C@H]1O ZINC000664778554 419915884 /nfs/dbraw/zinc/91/58/84/419915884.db2.gz RKSABLZALPJSDY-DHGKCCLASA-N 2 2 288.388 -0.852 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NCC[NH2+]C1CC1 ZINC000669323358 544747098 /nfs/dbraw/zinc/74/70/98/544747098.db2.gz YKFRTEFOYZDWDE-NSHDSACASA-N 2 2 270.377 -0.242 20 0 CBADLP C[C@@H]([NH3+])CNC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000669457055 544749177 /nfs/dbraw/zinc/74/91/77/544749177.db2.gz DNVJFLLWUZPPHA-SNVBAGLBSA-N 2 2 258.366 -0.256 20 0 CBADLP C[C@@H]([NH3+])CNC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000669457055 544749180 /nfs/dbraw/zinc/74/91/80/544749180.db2.gz DNVJFLLWUZPPHA-SNVBAGLBSA-N 2 2 258.366 -0.256 20 0 CBADLP C[NH+]1CCN(C(=O)N[C@H]2CCC[N@@H+](C)C2)[C@H](C[NH3+])C1 ZINC000669403089 544749809 /nfs/dbraw/zinc/74/98/09/544749809.db2.gz ISZQIRQDZQPWEF-NWDGAFQWSA-N 3 2 269.393 -0.635 20 0 CBADLP C[NH+]1CCN(C(=O)N[C@H]2CCC[N@H+](C)C2)[C@H](C[NH3+])C1 ZINC000669403089 544749813 /nfs/dbraw/zinc/74/98/13/544749813.db2.gz ISZQIRQDZQPWEF-NWDGAFQWSA-N 3 2 269.393 -0.635 20 0 CBADLP C[NH+]1CCC[C@H](NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])C1 ZINC000669403089 544749816 /nfs/dbraw/zinc/74/98/16/544749816.db2.gz ISZQIRQDZQPWEF-NWDGAFQWSA-N 3 2 269.393 -0.635 20 0 CBADLP C[NH+]1CCC[C@H](NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])C1 ZINC000669403089 544749818 /nfs/dbraw/zinc/74/98/18/544749818.db2.gz ISZQIRQDZQPWEF-NWDGAFQWSA-N 3 2 269.393 -0.635 20 0 CBADLP C[C@@H](C(=O)NCCC[NH+](C)C)[NH+]1CCN(C)CC1 ZINC000358805460 419921788 /nfs/dbraw/zinc/92/17/88/419921788.db2.gz XBQRBVXOQVWVBH-LBPRGKRZSA-N 2 2 256.394 -0.310 20 0 CBADLP C[N@@H+]1CCN(C(=O)NC[C@@]2(C)CCCO2)[C@@H](C[NH3+])C1 ZINC000669525206 544752585 /nfs/dbraw/zinc/75/25/85/544752585.db2.gz LSMWRHRHNQHLKO-WCQYABFASA-N 2 2 270.377 -0.160 20 0 CBADLP C[N@H+]1CCN(C(=O)NC[C@@]2(C)CCCO2)[C@@H](C[NH3+])C1 ZINC000669525206 544752587 /nfs/dbraw/zinc/75/25/87/544752587.db2.gz LSMWRHRHNQHLKO-WCQYABFASA-N 2 2 270.377 -0.160 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH+]2CCC(C3(O)CC3)CC2)CC1 ZINC000649674341 419923655 /nfs/dbraw/zinc/92/36/55/419923655.db2.gz QGBXLFZMRXHZJE-UHFFFAOYSA-N 2 2 281.400 -0.003 20 0 CBADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1cn[nH]c1 ZINC000358790486 419918591 /nfs/dbraw/zinc/91/85/91/419918591.db2.gz LCNJNLQTLIUMSI-JTQLQIEISA-N 2 2 251.334 -0.166 20 0 CBADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1cn[nH]c1 ZINC000358790487 419919072 /nfs/dbraw/zinc/91/90/72/419919072.db2.gz LCNJNLQTLIUMSI-SNVBAGLBSA-N 2 2 251.334 -0.166 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@@H]2CCC(=O)N2)CC1 ZINC000649552305 419919936 /nfs/dbraw/zinc/91/99/36/419919936.db2.gz DPUCDPQXHWAVLA-STQMWFEESA-N 2 2 294.399 -0.497 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@@H]2CCC(=O)N2)CC1 ZINC000649552305 419919940 /nfs/dbraw/zinc/91/99/40/419919940.db2.gz DPUCDPQXHWAVLA-STQMWFEESA-N 2 2 294.399 -0.497 20 0 CBADLP C[NH+](C)C1(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000665108052 419931475 /nfs/dbraw/zinc/93/14/75/419931475.db2.gz QLJQMUHWQKRASL-UHFFFAOYSA-N 2 2 255.362 -0.081 20 0 CBADLP COC[C@H]1C[C@@H](O)C[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000649764394 419932073 /nfs/dbraw/zinc/93/20/73/419932073.db2.gz ATUWBEUYMQEOPF-UPJWGTAASA-N 2 2 258.362 -0.477 20 0 CBADLP COC[C@H]1C[C@@H](O)C[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000649764394 419932077 /nfs/dbraw/zinc/93/20/77/419932077.db2.gz ATUWBEUYMQEOPF-UPJWGTAASA-N 2 2 258.362 -0.477 20 0 CBADLP COC[C@H]1C[C@@H](O)C[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000649764394 419932084 /nfs/dbraw/zinc/93/20/84/419932084.db2.gz ATUWBEUYMQEOPF-UPJWGTAASA-N 2 2 258.362 -0.477 20 0 CBADLP COC[C@H]1C[C@@H](O)C[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000649764394 419932090 /nfs/dbraw/zinc/93/20/90/419932090.db2.gz ATUWBEUYMQEOPF-UPJWGTAASA-N 2 2 258.362 -0.477 20 0 CBADLP CCOCC[C@@H](O)C[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649685898 419924716 /nfs/dbraw/zinc/92/47/16/419924716.db2.gz QQDXACMEBGVURB-CYBMUJFWSA-N 2 2 287.404 -0.520 20 0 CBADLP CCOCC[C@@H](O)C[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649685898 419924719 /nfs/dbraw/zinc/92/47/19/419924719.db2.gz QQDXACMEBGVURB-CYBMUJFWSA-N 2 2 287.404 -0.520 20 0 CBADLP CCC[C@@H](O)C[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649684986 419925160 /nfs/dbraw/zinc/92/51/60/419925160.db2.gz JZGJOSFNUYJICN-GFCCVEGCSA-N 2 2 257.378 -0.147 20 0 CBADLP CCC[C@@H](O)C[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649684986 419925168 /nfs/dbraw/zinc/92/51/68/419925168.db2.gz JZGJOSFNUYJICN-GFCCVEGCSA-N 2 2 257.378 -0.147 20 0 CBADLP Cc1[nH+]ccn1CCNC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000671962649 544835691 /nfs/dbraw/zinc/83/56/91/544835691.db2.gz CFMZILKLCZWGTQ-GFCCVEGCSA-N 2 2 293.371 -0.482 20 0 CBADLP C[NH+](C)CCN1CC[N@H+](C[C@@H]2COCCO2)CC1=O ZINC000649685229 419925409 /nfs/dbraw/zinc/92/54/09/419925409.db2.gz SUKDASGUCXIIDY-GFCCVEGCSA-N 2 2 271.361 -0.892 20 0 CBADLP C[NH+](C)CCN1CC[N@@H+](C[C@@H]2COCCO2)CC1=O ZINC000649685229 419925415 /nfs/dbraw/zinc/92/54/15/419925415.db2.gz SUKDASGUCXIIDY-GFCCVEGCSA-N 2 2 271.361 -0.892 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000672154253 544840655 /nfs/dbraw/zinc/84/06/55/544840655.db2.gz HHCUXMFOJHALQR-PWSUYJOCSA-N 2 2 264.329 -0.355 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000672154253 544840659 /nfs/dbraw/zinc/84/06/59/544840659.db2.gz HHCUXMFOJHALQR-PWSUYJOCSA-N 2 2 264.329 -0.355 20 0 CBADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCCN(C)S(C)(=O)=O ZINC000665230335 419937479 /nfs/dbraw/zinc/93/74/79/419937479.db2.gz MVIGCAHWFZBBBQ-NEPJUHHUSA-N 2 2 293.433 -0.376 20 0 CBADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCCN(C)S(C)(=O)=O ZINC000665230336 419938869 /nfs/dbraw/zinc/93/88/69/419938869.db2.gz MVIGCAHWFZBBBQ-NWDGAFQWSA-N 2 2 293.433 -0.376 20 0 CBADLP CC[C@H]1C[N@@H+]([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)CCO1 ZINC000359223664 419948245 /nfs/dbraw/zinc/94/82/45/419948245.db2.gz JTRDAGSNRRFMQS-RYUDHWBXSA-N 2 2 283.372 -0.214 20 0 CBADLP CC[C@H]1C[N@H+]([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)CCO1 ZINC000359223664 419948251 /nfs/dbraw/zinc/94/82/51/419948251.db2.gz JTRDAGSNRRFMQS-RYUDHWBXSA-N 2 2 283.372 -0.214 20 0 CBADLP CC[C@@H]1C[N@@H+]([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)CCO1 ZINC000359223667 419948695 /nfs/dbraw/zinc/94/86/95/419948695.db2.gz JTRDAGSNRRFMQS-VXGBXAGGSA-N 2 2 283.372 -0.214 20 0 CBADLP CC[C@@H]1C[N@H+]([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)CCO1 ZINC000359223667 419948699 /nfs/dbraw/zinc/94/86/99/419948699.db2.gz JTRDAGSNRRFMQS-VXGBXAGGSA-N 2 2 283.372 -0.214 20 0 CBADLP C[NH+](C)Cc1cc(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)no1 ZINC000359384936 419961347 /nfs/dbraw/zinc/96/13/47/419961347.db2.gz CFJJPGWAEZOIIK-LLVKDONJSA-N 2 2 293.371 -0.534 20 0 CBADLP CNC(=O)[C@@H]1C[N@H+](CCn2cc[nH+]c2C)CCO1 ZINC000359646789 419980101 /nfs/dbraw/zinc/98/01/01/419980101.db2.gz HVCLQKSKGSJCDR-NSHDSACASA-N 2 2 252.318 -0.362 20 0 CBADLP CNC(=O)[C@@H]1C[N@@H+](CCn2cc[nH+]c2C)CCO1 ZINC000359646789 419980104 /nfs/dbraw/zinc/98/01/04/419980104.db2.gz HVCLQKSKGSJCDR-NSHDSACASA-N 2 2 252.318 -0.362 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)C2CC[NH+](C)CC2)CC1 ZINC000359956076 419997840 /nfs/dbraw/zinc/99/78/40/419997840.db2.gz WPYLZCPCYCKMLV-UHFFFAOYSA-N 2 2 296.415 -0.392 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@](O)(C3CC3)C2)CC1 ZINC000365836452 420068143 /nfs/dbraw/zinc/06/81/43/420068143.db2.gz IIVSMOBISQECCQ-CQSZACIVSA-N 2 2 267.373 -0.393 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@](O)(C3CC3)C2)CC1 ZINC000365836452 420068146 /nfs/dbraw/zinc/06/81/46/420068146.db2.gz IIVSMOBISQECCQ-CQSZACIVSA-N 2 2 267.373 -0.393 20 0 CBADLP CC[NH+]1CCN(CC(=O)N2CC[NH+](C3CC3)CC2)CC1 ZINC000360097134 420003190 /nfs/dbraw/zinc/00/31/90/420003190.db2.gz IPWJCCLHIZSBJZ-UHFFFAOYSA-N 2 2 280.416 -0.070 20 0 CBADLP C[C@H](CNC(=O)[C@H]1CSC[NH2+]1)N1CC[NH+](C)CC1 ZINC000360170035 420006763 /nfs/dbraw/zinc/00/67/63/420006763.db2.gz LTKYEILEKNDLGF-GHMZBOCLSA-N 2 2 272.418 -0.599 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CSC[NH2+]1 ZINC000360203994 420009695 /nfs/dbraw/zinc/00/96/95/420009695.db2.gz JNWVKQQVIDRLIV-UWVGGRQHSA-N 2 2 259.375 -0.514 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CSC[NH2+]1 ZINC000360203994 420009699 /nfs/dbraw/zinc/00/96/99/420009699.db2.gz JNWVKQQVIDRLIV-UWVGGRQHSA-N 2 2 259.375 -0.514 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](C)N2CC[NH+](C)CC2)C1 ZINC000360223931 420011410 /nfs/dbraw/zinc/01/14/10/420011410.db2.gz CTTYVLOERNKSRD-ZIAGYGMSSA-N 2 2 298.431 -0.541 20 0 CBADLP C[C@@H]([NH3+])C(=O)N1CC[NH+](C2(C(N)=O)CCCCC2)CC1 ZINC000361730042 420022056 /nfs/dbraw/zinc/02/20/56/420022056.db2.gz VNZRSVSXIXLOBO-LLVKDONJSA-N 2 2 282.388 -0.334 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CCNC(N)=O)C2)CC1 ZINC000364232179 420034978 /nfs/dbraw/zinc/03/49/78/420034978.db2.gz WCUZRTZAERJDIE-LLVKDONJSA-N 2 2 297.403 -0.671 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CCNC(N)=O)C2)CC1 ZINC000364232179 420034980 /nfs/dbraw/zinc/03/49/80/420034980.db2.gz WCUZRTZAERJDIE-LLVKDONJSA-N 2 2 297.403 -0.671 20 0 CBADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1CC[NH+](CCO)CC1 ZINC000364422135 420037054 /nfs/dbraw/zinc/03/70/54/420037054.db2.gz SJNAJXRCXQFEFS-LBPRGKRZSA-N 2 2 278.356 -0.418 20 0 CBADLP CCOCC[N@@H+]1CCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)C[C@H]1C ZINC000365094446 420054922 /nfs/dbraw/zinc/05/49/22/420054922.db2.gz WDIKMDGJUCCDQU-JHJVBQTASA-N 2 2 285.388 -0.722 20 0 CBADLP CCOCC[N@H+]1CCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)C[C@H]1C ZINC000365094446 420054925 /nfs/dbraw/zinc/05/49/25/420054925.db2.gz WDIKMDGJUCCDQU-JHJVBQTASA-N 2 2 285.388 -0.722 20 0 CBADLP CCO[C@@H]1C[N@@H+]([C@H](C)C(=O)NC[C@@H]2CCCO2)C[C@H]1C[NH3+] ZINC000652358257 420058640 /nfs/dbraw/zinc/05/86/40/420058640.db2.gz OWOFTJMFZXBRJD-YIYPIFLZSA-N 2 2 299.415 -0.034 20 0 CBADLP CCO[C@@H]1C[N@H+]([C@H](C)C(=O)NC[C@@H]2CCCO2)C[C@H]1C[NH3+] ZINC000652358257 420058644 /nfs/dbraw/zinc/05/86/44/420058644.db2.gz OWOFTJMFZXBRJD-YIYPIFLZSA-N 2 2 299.415 -0.034 20 0 CBADLP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CC(=O)N1CCNC(=O)C1)C2 ZINC000652351044 420059045 /nfs/dbraw/zinc/05/90/45/420059045.db2.gz HWMXVRIRTGGUOZ-FZMZJTMJSA-N 2 2 280.372 -0.994 20 0 CBADLP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CC(=O)N1CCNC(=O)C1)C2 ZINC000652351044 420059048 /nfs/dbraw/zinc/05/90/48/420059048.db2.gz HWMXVRIRTGGUOZ-FZMZJTMJSA-N 2 2 280.372 -0.994 20 0 CBADLP CCOCCNC(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000652356864 420059211 /nfs/dbraw/zinc/05/92/11/420059211.db2.gz MANBKKJNIYLZOY-VXGBXAGGSA-N 2 2 273.377 -0.565 20 0 CBADLP CCOCCNC(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000652356864 420059215 /nfs/dbraw/zinc/05/92/15/420059215.db2.gz MANBKKJNIYLZOY-VXGBXAGGSA-N 2 2 273.377 -0.565 20 0 CBADLP C(C[N@@H+]1CCn2c(CC3CC3)nnc2C1)N1CC[NH2+]CC1 ZINC000652353204 420059734 /nfs/dbraw/zinc/05/97/34/420059734.db2.gz QQJXEPHCNFFXGL-UHFFFAOYSA-N 2 2 290.415 -0.049 20 0 CBADLP C(C[N@H+]1CCn2c(CC3CC3)nnc2C1)N1CC[NH2+]CC1 ZINC000652353204 420059738 /nfs/dbraw/zinc/05/97/38/420059738.db2.gz QQJXEPHCNFFXGL-UHFFFAOYSA-N 2 2 290.415 -0.049 20 0 CBADLP CCN1CCC[N@H+](CCC(=O)N2CC[NH+](C)CC2)CC1=O ZINC000366912599 420095066 /nfs/dbraw/zinc/09/50/66/420095066.db2.gz PPQVVXFIQHTYCJ-UHFFFAOYSA-N 2 2 296.415 -0.295 20 0 CBADLP CCN1CCC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)CC1=O ZINC000366912599 420095071 /nfs/dbraw/zinc/09/50/71/420095071.db2.gz PPQVVXFIQHTYCJ-UHFFFAOYSA-N 2 2 296.415 -0.295 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000367052283 420099183 /nfs/dbraw/zinc/09/91/83/420099183.db2.gz JRTISITWJGDVFP-AWEZNQCLSA-N 2 2 296.415 -0.833 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000367052283 420099186 /nfs/dbraw/zinc/09/91/86/420099186.db2.gz JRTISITWJGDVFP-AWEZNQCLSA-N 2 2 296.415 -0.833 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[NH2+][C@H](c3ccncc3)C2)C1 ZINC000367084626 420099428 /nfs/dbraw/zinc/09/94/28/420099428.db2.gz NGGIHHFEEPZWCI-KBPBESRZSA-N 2 2 290.367 -0.115 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N2CC[NH2+][C@H](c3ccncc3)C2)C1 ZINC000367084626 420099431 /nfs/dbraw/zinc/09/94/31/420099431.db2.gz NGGIHHFEEPZWCI-KBPBESRZSA-N 2 2 290.367 -0.115 20 0 CBADLP CNC(=O)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000367062220 420099460 /nfs/dbraw/zinc/09/94/60/420099460.db2.gz LAIRWKLKEBOIPK-UHFFFAOYSA-N 2 2 296.415 -0.201 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCCC[C@H](CO)C2)CC1 ZINC000367441183 420105284 /nfs/dbraw/zinc/10/52/84/420105284.db2.gz QZTGQQPOIHERAZ-ZDUSSCGKSA-N 2 2 269.389 -0.145 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CCCC[C@H](CO)C2)CC1 ZINC000367441183 420105287 /nfs/dbraw/zinc/10/52/87/420105287.db2.gz QZTGQQPOIHERAZ-ZDUSSCGKSA-N 2 2 269.389 -0.145 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCCOC[C@H]1CCCO1 ZINC000653061880 420111202 /nfs/dbraw/zinc/11/12/02/420111202.db2.gz DBPORFABOKOPKN-OLZOCXBDSA-N 2 2 287.404 -0.033 20 0 CBADLP C[C@H](C[NH3+])C(=O)N1CC[NH+](C2(C(N)=O)CCCC2)CC1 ZINC000367649037 420112258 /nfs/dbraw/zinc/11/22/58/420112258.db2.gz OVHCHXKIMVIXRK-LLVKDONJSA-N 2 2 282.388 -0.477 20 0 CBADLP CC[C@@H](C)NC(=O)CCNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653074394 420112542 /nfs/dbraw/zinc/11/25/42/420112542.db2.gz GQGIVQOEUUSJCY-GHMZBOCLSA-N 2 2 272.393 -0.314 20 0 CBADLP CN(Cc1nnnn1C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000367661696 420112670 /nfs/dbraw/zinc/11/26/70/420112670.db2.gz SQRDZTMMCFFXME-ZDUSSCGKSA-N 2 2 293.419 -0.190 20 0 CBADLP CN(Cc1nnnn1C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000367661696 420112673 /nfs/dbraw/zinc/11/26/73/420112673.db2.gz SQRDZTMMCFFXME-ZDUSSCGKSA-N 2 2 293.419 -0.190 20 0 CBADLP C[NH2+]CCC(=O)NC[C@]1([NH+]2CCOCC2)CCCOC1 ZINC000367642183 420113205 /nfs/dbraw/zinc/11/32/05/420113205.db2.gz HOVNPEPJOXZVIY-CQSZACIVSA-N 2 2 285.388 -0.407 20 0 CBADLP CC[C@H](C)NC(=O)CCNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653074397 420113592 /nfs/dbraw/zinc/11/35/92/420113592.db2.gz GQGIVQOEUUSJCY-WDEREUQCSA-N 2 2 272.393 -0.314 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@](C)(C(N)=O)c1ccccc1 ZINC000653082275 420114383 /nfs/dbraw/zinc/11/43/83/420114383.db2.gz OPROFJXWHVWLET-DOMZBBRYSA-N 2 2 292.383 -0.218 20 0 CBADLP CC[C@H]1C(=O)NCCN1C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653086658 420114893 /nfs/dbraw/zinc/11/48/93/420114893.db2.gz YUBNJVSDZUQTQV-ZJUUUORDSA-N 2 2 256.350 -0.998 20 0 CBADLP CC(C)[NH+]1CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653108433 420115785 /nfs/dbraw/zinc/11/57/85/420115785.db2.gz XLMFRBVYJYKDDS-GFCCVEGCSA-N 3 2 256.394 -0.182 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000653112613 420115996 /nfs/dbraw/zinc/11/59/96/420115996.db2.gz DEDAAPZDFMJJSX-JQWIXIFHSA-N 3 2 254.378 -0.382 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000653112613 420115999 /nfs/dbraw/zinc/11/59/99/420115999.db2.gz DEDAAPZDFMJJSX-JQWIXIFHSA-N 3 2 254.378 -0.382 20 0 CBADLP NC(=O)C1([NH+]2CCN(C(=O)C3C[NH2+]C3)CC2)CCCCC1 ZINC000367829524 420117011 /nfs/dbraw/zinc/11/70/11/420117011.db2.gz YLHVVFFHJBCLNJ-UHFFFAOYSA-N 2 2 294.399 -0.462 20 0 CBADLP C[NH+](C)CC[C@@H](N)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000653105168 420117319 /nfs/dbraw/zinc/11/73/19/420117319.db2.gz JEXUFKGISNVALB-GFCCVEGCSA-N 2 2 286.420 -0.508 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCC(C)(C)C[NH+](C)C ZINC000653105020 420117700 /nfs/dbraw/zinc/11/77/00/420117700.db2.gz BMAZGZUWTQHZBG-NSHDSACASA-N 3 2 258.410 -0.031 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1nnc2ccccn21 ZINC000653111686 420117715 /nfs/dbraw/zinc/11/77/15/420117715.db2.gz WLEMLOQJYRMWBU-SECBINFHSA-N 2 2 262.317 -0.053 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000653115586 420118204 /nfs/dbraw/zinc/11/82/04/420118204.db2.gz TYNQJVHMPLHUTF-VXGBXAGGSA-N 3 2 256.394 -0.182 20 0 CBADLP CC1(C)C[N@H+](CCNC(=O)[C@]23C[NH2+]C[C@H]2COC3)CCO1 ZINC000653114427 420119394 /nfs/dbraw/zinc/11/93/94/420119394.db2.gz HXBOJZOXIMNLAX-WFASDCNBSA-N 2 2 297.399 -0.551 20 0 CBADLP CC1(C)C[N@@H+](CCNC(=O)[C@]23C[NH2+]C[C@H]2COC3)CCO1 ZINC000653114427 420119399 /nfs/dbraw/zinc/11/93/99/420119399.db2.gz HXBOJZOXIMNLAX-WFASDCNBSA-N 2 2 297.399 -0.551 20 0 CBADLP C[C@@H]1CC[N@H+](CCNC(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000653121981 420119467 /nfs/dbraw/zinc/11/94/67/420119467.db2.gz HYTOAUBXCLZZLJ-NEPJUHHUSA-N 3 2 256.394 -0.277 20 0 CBADLP C[C@@H]1CC[N@@H+](CCNC(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000653121981 420119469 /nfs/dbraw/zinc/11/94/69/420119469.db2.gz HYTOAUBXCLZZLJ-NEPJUHHUSA-N 3 2 256.394 -0.277 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000653115585 420120791 /nfs/dbraw/zinc/12/07/91/420120791.db2.gz TYNQJVHMPLHUTF-RYUDHWBXSA-N 3 2 256.394 -0.182 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000653144421 420123003 /nfs/dbraw/zinc/12/30/03/420123003.db2.gz SKZLYXHRWOYISC-CMPLNLGQSA-N 3 2 260.357 -0.575 20 0 CBADLP COCC[N@@H+]1CCCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653147785 420123167 /nfs/dbraw/zinc/12/31/67/420123167.db2.gz AAMKAGRGMULHFU-ZDUSSCGKSA-N 3 2 286.420 -0.554 20 0 CBADLP COCC[N@H+]1CCCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653147785 420123169 /nfs/dbraw/zinc/12/31/69/420123169.db2.gz AAMKAGRGMULHFU-ZDUSSCGKSA-N 3 2 286.420 -0.554 20 0 CBADLP C[C@@H]1CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)[C@H](C(N)=O)C1 ZINC000653151933 420123311 /nfs/dbraw/zinc/12/33/11/420123311.db2.gz YAQGDEYTRZHLFF-MXWKQRLJSA-N 2 2 270.377 -0.622 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000653162243 420124013 /nfs/dbraw/zinc/12/40/13/420124013.db2.gz UHNAFLLBANUGMC-NWDGAFQWSA-N 3 2 256.394 -0.101 20 0 CBADLP CCCN1CCCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CC1=O ZINC000653156875 420124750 /nfs/dbraw/zinc/12/47/50/420124750.db2.gz OAKZPUCBOPHGHT-GFCCVEGCSA-N 2 2 284.404 -0.264 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](n3cccn3)C2)CC1 ZINC000368279597 420127052 /nfs/dbraw/zinc/12/70/52/420127052.db2.gz BPAWAGZEJJUYAV-CYBMUJFWSA-N 2 2 277.372 -0.096 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](n3cccn3)C2)CC1 ZINC000368279597 420127055 /nfs/dbraw/zinc/12/70/55/420127055.db2.gz BPAWAGZEJJUYAV-CYBMUJFWSA-N 2 2 277.372 -0.096 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](n3cccn3)C2)CC1 ZINC000368279598 420127142 /nfs/dbraw/zinc/12/71/42/420127142.db2.gz BPAWAGZEJJUYAV-ZDUSSCGKSA-N 2 2 277.372 -0.096 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](n3cccn3)C2)CC1 ZINC000368279598 420127146 /nfs/dbraw/zinc/12/71/46/420127146.db2.gz BPAWAGZEJJUYAV-ZDUSSCGKSA-N 2 2 277.372 -0.096 20 0 CBADLP COCC[C@@H]1COCC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000368282550 420127756 /nfs/dbraw/zinc/12/77/56/420127756.db2.gz UFSDUHVSKFZBRR-CQSZACIVSA-N 2 2 299.415 -0.112 20 0 CBADLP COCC[C@@H]1COCC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000368282550 420127759 /nfs/dbraw/zinc/12/77/59/420127759.db2.gz UFSDUHVSKFZBRR-CQSZACIVSA-N 2 2 299.415 -0.112 20 0 CBADLP COCCOCC[NH+]1CCN(C(=O)[C@@]2(C)CC[NH2+]C2)CC1 ZINC000653276105 420133086 /nfs/dbraw/zinc/13/30/86/420133086.db2.gz VSQPDFGDKHNKIB-HNNXBMFYSA-N 2 2 299.415 -0.207 20 0 CBADLP COCCOCC[NH+]1CCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000653275948 420133773 /nfs/dbraw/zinc/13/37/73/420133773.db2.gz RQZMPBZUQILXSC-WDNDVIMCSA-N 2 2 297.399 -0.741 20 0 CBADLP COCCOCC[NH+]1CCN(C(=O)C2CC[NH2+]CC2)CC1 ZINC000653275940 420134201 /nfs/dbraw/zinc/13/42/01/420134201.db2.gz RMCHJAYDMXJZJI-UHFFFAOYSA-N 2 2 299.415 -0.207 20 0 CBADLP C[NH+](C)CC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000368662147 420138940 /nfs/dbraw/zinc/13/89/40/420138940.db2.gz HFZQHHHKOYBYPZ-NWDGAFQWSA-N 2 2 255.362 -0.394 20 0 CBADLP O=C([C@@H]1C[C@H]1C1CC[NH2+]CC1)N1CC[NH+](CCO)CC1 ZINC000368684873 420139144 /nfs/dbraw/zinc/13/91/44/420139144.db2.gz XMLPRFALJGABKX-UONOGXRCSA-N 2 2 281.400 -0.241 20 0 CBADLP O=C(NCCC[NH+]1CCOCC1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000368649665 420140144 /nfs/dbraw/zinc/14/01/44/420140144.db2.gz HQJZPSLHJCWHES-SNVBAGLBSA-N 2 2 277.315 -0.178 20 0 CBADLP CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000368681790 420140172 /nfs/dbraw/zinc/14/01/72/420140172.db2.gz AXVMNWXAYFVZDL-CHWSQXEVSA-N 2 2 269.389 -0.243 20 0 CBADLP O=C(NCCC1CC[NH2+]CC1)C(=O)NCCn1cc[nH+]c1 ZINC000652669901 420071278 /nfs/dbraw/zinc/07/12/78/420071278.db2.gz YORDCZVNLDTOQU-UHFFFAOYSA-N 2 2 293.371 -0.495 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652690952 420072889 /nfs/dbraw/zinc/07/28/89/420072889.db2.gz RENUIWYRAPUIHK-LLVKDONJSA-N 2 2 293.371 -0.367 20 0 CBADLP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+][C@@H](C(=O)OC)C1 ZINC000366167788 420077242 /nfs/dbraw/zinc/07/72/42/420077242.db2.gz CUGRCHDKVSGAEH-QEYWKRMJSA-N 2 2 257.334 -0.621 20 0 CBADLP C[NH+](C)CCN1CCN(C(=O)Cn2cc[nH+]c2)CC1=O ZINC000652733193 420079323 /nfs/dbraw/zinc/07/93/23/420079323.db2.gz AYIAVRZHMIYMSP-UHFFFAOYSA-N 2 2 279.344 -0.885 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCC[N@H+]1CC=CCC1 ZINC000653348388 420141412 /nfs/dbraw/zinc/14/14/12/420141412.db2.gz FVEQGNHQDIQYBE-GFCCVEGCSA-N 3 2 254.378 -0.357 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCC[N@@H+]1CC=CCC1 ZINC000653348388 420141418 /nfs/dbraw/zinc/14/14/18/420141418.db2.gz FVEQGNHQDIQYBE-GFCCVEGCSA-N 3 2 254.378 -0.357 20 0 CBADLP C[N@@H+]1CC[C@@]2(CC[NH+](CC(=O)N3CC[NH+](C)CC3)C2)C1 ZINC000366483448 420087812 /nfs/dbraw/zinc/08/78/12/420087812.db2.gz POHREBYLERKUDR-OAHLLOKOSA-N 3 2 280.416 -0.212 20 0 CBADLP C[N@H+]1CC[C@@]2(CC[NH+](CC(=O)N3CC[NH+](C)CC3)C2)C1 ZINC000366483448 420087814 /nfs/dbraw/zinc/08/78/14/420087814.db2.gz POHREBYLERKUDR-OAHLLOKOSA-N 3 2 280.416 -0.212 20 0 CBADLP C[NH+]1CC[C@@]2(CC[N@H+](CC(=O)N3CC[NH+](C)CC3)C2)C1 ZINC000366483448 420087816 /nfs/dbraw/zinc/08/78/16/420087816.db2.gz POHREBYLERKUDR-OAHLLOKOSA-N 3 2 280.416 -0.212 20 0 CBADLP C[NH+]1CC[C@@]2(CC[N@@H+](CC(=O)N3CC[NH+](C)CC3)C2)C1 ZINC000366483448 420087817 /nfs/dbraw/zinc/08/78/17/420087817.db2.gz POHREBYLERKUDR-OAHLLOKOSA-N 3 2 280.416 -0.212 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCC[N@H+]1CC=CCC1 ZINC000653348389 420141664 /nfs/dbraw/zinc/14/16/64/420141664.db2.gz FVEQGNHQDIQYBE-LBPRGKRZSA-N 3 2 254.378 -0.357 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCC[N@@H+]1CC=CCC1 ZINC000653348389 420141667 /nfs/dbraw/zinc/14/16/67/420141667.db2.gz FVEQGNHQDIQYBE-LBPRGKRZSA-N 3 2 254.378 -0.357 20 0 CBADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000652888380 420092275 /nfs/dbraw/zinc/09/22/75/420092275.db2.gz FPIBFUOSSWFLBM-WCQYABFASA-N 2 2 290.367 -0.277 20 0 CBADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000652888380 420092279 /nfs/dbraw/zinc/09/22/79/420092279.db2.gz FPIBFUOSSWFLBM-WCQYABFASA-N 2 2 290.367 -0.277 20 0 CBADLP COCC[C@@]1(C(=O)N[C@@H](C)C[NH+]2CCOCC2)CC[NH2+]C1 ZINC000370762910 420185413 /nfs/dbraw/zinc/18/54/13/420185413.db2.gz COBQRNUWDJTDHL-ZFWWWQNUSA-N 2 2 299.415 -0.161 20 0 CBADLP COCC[C@]1(C(=O)NCC[NH+]2CCOCC2)CC[NH2+]C1 ZINC000370782237 420187120 /nfs/dbraw/zinc/18/71/20/420187120.db2.gz SNGSGBHFLXPCCX-CQSZACIVSA-N 2 2 285.388 -0.549 20 0 CBADLP Cc1cn2c([nH+]1)CC[C@@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C2 ZINC000372672336 420191912 /nfs/dbraw/zinc/19/19/12/420191912.db2.gz CRADMNGIOIRFHG-NEPJUHHUSA-N 2 2 278.356 -0.047 20 0 CBADLP Cc1cn2c([nH+]1)CC[C@@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C2 ZINC000372672336 420191914 /nfs/dbraw/zinc/19/19/14/420191914.db2.gz CRADMNGIOIRFHG-NEPJUHHUSA-N 2 2 278.356 -0.047 20 0 CBADLP CC(C)[C@@H]([NH3+])c1cn(C[C@H](O)C[NH+]2CCOCC2)nn1 ZINC000380963183 420197790 /nfs/dbraw/zinc/19/77/90/420197790.db2.gz QFTXTPKFFCMBDU-DGCLKSJQSA-N 2 2 283.376 -0.373 20 0 CBADLP C[C@@H](CC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)NC(N)=O ZINC000654857194 420199654 /nfs/dbraw/zinc/19/96/54/420199654.db2.gz HFUAROPYCKGREZ-NSHDSACASA-N 2 2 299.419 -0.425 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CCN(c3[nH]cc[nH+]3)CC2)C1 ZINC000655032263 420211986 /nfs/dbraw/zinc/21/19/86/420211986.db2.gz QNPPJTRNBHONHV-GFCCVEGCSA-N 2 2 293.371 -0.221 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)N2CCN(c3[nH]cc[nH+]3)CC2)C1 ZINC000655032263 420211988 /nfs/dbraw/zinc/21/19/88/420211988.db2.gz QNPPJTRNBHONHV-GFCCVEGCSA-N 2 2 293.371 -0.221 20 0 CBADLP CC[N@H+](C)C[C@@H](O)CN1CC[NH+](CC(=O)N(C)C)CC1 ZINC000653489177 420147221 /nfs/dbraw/zinc/14/72/21/420147221.db2.gz MLNJIEUOJDWBOJ-CYBMUJFWSA-N 2 2 286.420 -0.995 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)CN1CC[NH+](CC(=O)N(C)C)CC1 ZINC000653489177 420147227 /nfs/dbraw/zinc/14/72/27/420147227.db2.gz MLNJIEUOJDWBOJ-CYBMUJFWSA-N 2 2 286.420 -0.995 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)CC1 ZINC000368974987 420149416 /nfs/dbraw/zinc/14/94/16/420149416.db2.gz PKUTWDCBJKKZHN-OBJOEFQTSA-N 2 2 294.399 -0.654 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)CC1 ZINC000368974987 420149421 /nfs/dbraw/zinc/14/94/21/420149421.db2.gz PKUTWDCBJKKZHN-OBJOEFQTSA-N 2 2 294.399 -0.654 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)C[C@H]1C(N)=O ZINC000653625953 420152034 /nfs/dbraw/zinc/15/20/34/420152034.db2.gz YHPPYNMTWSPDPE-WOPDTQHZSA-N 2 2 257.378 -0.115 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)C[C@H]1C(N)=O ZINC000653625953 420152036 /nfs/dbraw/zinc/15/20/36/420152036.db2.gz YHPPYNMTWSPDPE-WOPDTQHZSA-N 2 2 257.378 -0.115 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](C)C[C@H]1C(N)=O ZINC000653625953 420152040 /nfs/dbraw/zinc/15/20/40/420152040.db2.gz YHPPYNMTWSPDPE-WOPDTQHZSA-N 2 2 257.378 -0.115 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](C)C[C@H]1C(N)=O ZINC000653625953 420152043 /nfs/dbraw/zinc/15/20/43/420152043.db2.gz YHPPYNMTWSPDPE-WOPDTQHZSA-N 2 2 257.378 -0.115 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)NCC2([NH+]3CCOCC3)CC2)C1 ZINC000369289680 420155826 /nfs/dbraw/zinc/15/58/26/420155826.db2.gz CVGSVLHSVWAJGY-ZDUSSCGKSA-N 2 2 297.399 -0.312 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)NCC2([NH+]3CCOCC3)CC2)C1 ZINC000369289680 420155833 /nfs/dbraw/zinc/15/58/33/420155833.db2.gz CVGSVLHSVWAJGY-ZDUSSCGKSA-N 2 2 297.399 -0.312 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@]12CCNC2=O ZINC000653717279 420157684 /nfs/dbraw/zinc/15/76/84/420157684.db2.gz ODASTADPBMJSMR-JSGCOSHPSA-N 2 2 285.388 -0.720 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@]12CCNC2=O ZINC000653717279 420157688 /nfs/dbraw/zinc/15/76/88/420157688.db2.gz ODASTADPBMJSMR-JSGCOSHPSA-N 2 2 285.388 -0.720 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@]12CCNC2=O ZINC000653717279 420157690 /nfs/dbraw/zinc/15/76/90/420157690.db2.gz ODASTADPBMJSMR-JSGCOSHPSA-N 2 2 285.388 -0.720 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@]12CCNC2=O ZINC000653717279 420157693 /nfs/dbraw/zinc/15/76/93/420157693.db2.gz ODASTADPBMJSMR-JSGCOSHPSA-N 2 2 285.388 -0.720 20 0 CBADLP CNC(=O)CCC[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000653778327 420161564 /nfs/dbraw/zinc/16/15/64/420161564.db2.gz VBKITELAPGJDHR-UHFFFAOYSA-N 2 2 270.377 -0.782 20 0 CBADLP CNC(=O)CCC[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000653778327 420161568 /nfs/dbraw/zinc/16/15/68/420161568.db2.gz VBKITELAPGJDHR-UHFFFAOYSA-N 2 2 270.377 -0.782 20 0 CBADLP C[NH+](C)[C@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@@H]1O ZINC000655096144 420221606 /nfs/dbraw/zinc/22/16/06/420221606.db2.gz FABYWJMKSOPYDD-STQMWFEESA-N 2 2 292.383 -0.105 20 0 CBADLP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000420157802 420249347 /nfs/dbraw/zinc/24/93/47/420249347.db2.gz XMTLVBKZGTYIGD-VIFPVBQESA-N 2 2 292.330 -0.751 20 0 CBADLP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000420157802 420249353 /nfs/dbraw/zinc/24/93/53/420249353.db2.gz XMTLVBKZGTYIGD-VIFPVBQESA-N 2 2 292.330 -0.751 20 0 CBADLP CCCCNc1cc(NC[C@H]2C[NH2+]CCN2C)nc(N)[nH+]1 ZINC000420279811 420252320 /nfs/dbraw/zinc/25/23/20/420252320.db2.gz TWODCNSSUJTDKT-LLVKDONJSA-N 2 2 293.419 0.008 20 0 CBADLP CC(=O)N1CCN(CC[NH2+][C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000422867353 420253127 /nfs/dbraw/zinc/25/31/27/420253127.db2.gz RYQOCEIOQOBXGQ-OCCSQVGLSA-N 2 2 268.405 -0.262 20 0 CBADLP c1cnc(NCC[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)cn1 ZINC000422888996 420254080 /nfs/dbraw/zinc/25/40/80/420254080.db2.gz OLDFRLGYIDNNCM-OCCSQVGLSA-N 2 2 277.372 0.245 20 0 CBADLP O=C(NC[C@@H]1C[NH2+]CCO1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000655477730 420254263 /nfs/dbraw/zinc/25/42/63/420254263.db2.gz CCTWNTFASQAAMX-MNOVXSKESA-N 2 2 264.329 -0.450 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000423632724 420257842 /nfs/dbraw/zinc/25/78/42/420257842.db2.gz KGRUQPDSGHYANP-LALPHHSUSA-N 2 2 298.431 -0.055 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000423632724 420257843 /nfs/dbraw/zinc/25/78/43/420257843.db2.gz KGRUQPDSGHYANP-LALPHHSUSA-N 2 2 298.431 -0.055 20 0 CBADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCO[C@H]2CC[N@H+](C)C[C@H]21 ZINC000424181866 420258412 /nfs/dbraw/zinc/25/84/12/420258412.db2.gz DUTUBSHBLAKVSB-NDBYEHHHSA-N 2 2 283.372 -0.705 20 0 CBADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCO[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000424181866 420258416 /nfs/dbraw/zinc/25/84/16/420258416.db2.gz DUTUBSHBLAKVSB-NDBYEHHHSA-N 2 2 283.372 -0.705 20 0 CBADLP CN1C(=O)CC[C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1=O ZINC000655779005 420270652 /nfs/dbraw/zinc/27/06/52/420270652.db2.gz ZXMJYIBMYOFSBB-STQMWFEESA-N 2 2 295.383 -0.023 20 0 CBADLP C[N@@H+]1CC[C@@](O)(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000655755286 420271139 /nfs/dbraw/zinc/27/11/39/420271139.db2.gz WEHLWXDHGNMHAI-HUUCEWRRSA-N 3 2 283.416 -0.104 20 0 CBADLP C[N@H+]1CC[C@@](O)(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000655755286 420271144 /nfs/dbraw/zinc/27/11/44/420271144.db2.gz WEHLWXDHGNMHAI-HUUCEWRRSA-N 3 2 283.416 -0.104 20 0 CBADLP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430611659 420272758 /nfs/dbraw/zinc/27/27/58/420272758.db2.gz PJOQESACOFTMMW-NEPJUHHUSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430611659 420272762 /nfs/dbraw/zinc/27/27/62/420272762.db2.gz PJOQESACOFTMMW-NEPJUHHUSA-N 2 2 296.415 -0.217 20 0 CBADLP CCC[C@H]([NH3+])C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000430730665 420273192 /nfs/dbraw/zinc/27/31/92/420273192.db2.gz JPGABAWPSMSGSH-LBPRGKRZSA-N 2 2 295.387 0.281 20 0 CBADLP Cn1cnnc1N1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000655945312 420282698 /nfs/dbraw/zinc/28/26/98/420282698.db2.gz AJTSJBNXKFACQQ-GFCCVEGCSA-N 2 2 264.377 -0.063 20 0 CBADLP CC(C)[C@@H](C(=O)N1CC[NH+](CCO)CC1)[C@H](C)[NH3+] ZINC000399438987 420220702 /nfs/dbraw/zinc/22/07/02/420220702.db2.gz NSQGDGRCIADDQV-NWDGAFQWSA-N 2 2 257.378 -0.258 20 0 CBADLP Cc1nc(NC[C@@H]2C[N@H+](C)CCN2C)nc(N(C)C)[nH+]1 ZINC000488384321 420305775 /nfs/dbraw/zinc/30/57/75/420305775.db2.gz YXKJQVVFBNVJKP-LLVKDONJSA-N 2 2 279.392 -0.096 20 0 CBADLP Cc1nc(NC[C@@H]2C[N@@H+](C)CCN2C)nc(N(C)C)[nH+]1 ZINC000488384321 420305780 /nfs/dbraw/zinc/30/57/80/420305780.db2.gz YXKJQVVFBNVJKP-LLVKDONJSA-N 2 2 279.392 -0.096 20 0 CBADLP C[NH+](C)C[C@@](C)(O)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492814743 420314767 /nfs/dbraw/zinc/31/47/67/420314767.db2.gz VJAAXRBILXNIDG-RXNFCKPNSA-N 2 2 252.318 -0.148 20 0 CBADLP CN(CC1C[NH+](C)C1)C(=O)NCC[NH+]1CCOCC1 ZINC000656548872 420315343 /nfs/dbraw/zinc/31/53/43/420315343.db2.gz ZTPPGICRHMVQIN-UHFFFAOYSA-N 2 2 270.377 -0.478 20 0 CBADLP COCCC1C[NH+](C[C@@H](O)C[N@H+](C)CCOC)C1 ZINC000656702780 420319292 /nfs/dbraw/zinc/31/92/92/420319292.db2.gz IVAIUEMIIAPEFR-ZDUSSCGKSA-N 2 2 260.378 -0.106 20 0 CBADLP COCCC1C[NH+](C[C@@H](O)C[N@@H+](C)CCOC)C1 ZINC000656702780 420319294 /nfs/dbraw/zinc/31/92/94/420319294.db2.gz IVAIUEMIIAPEFR-ZDUSSCGKSA-N 2 2 260.378 -0.106 20 0 CBADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)C1COC1 ZINC000657071514 420339557 /nfs/dbraw/zinc/33/95/57/420339557.db2.gz OMIAXRDKVPTBTF-NSHDSACASA-N 2 2 293.433 -0.423 20 0 CBADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)C1COC1 ZINC000657071514 420339562 /nfs/dbraw/zinc/33/95/62/420339562.db2.gz OMIAXRDKVPTBTF-NSHDSACASA-N 2 2 293.433 -0.423 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)[C@@H]1CCOC1 ZINC000657093108 420342159 /nfs/dbraw/zinc/34/21/59/420342159.db2.gz YRHTXMITGMWBFJ-GFCCVEGCSA-N 2 2 293.433 -0.422 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)[C@@H]1CCOC1 ZINC000657093108 420342163 /nfs/dbraw/zinc/34/21/63/420342163.db2.gz YRHTXMITGMWBFJ-GFCCVEGCSA-N 2 2 293.433 -0.422 20 0 CBADLP CS(=O)(=O)NCCC[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657297529 420352429 /nfs/dbraw/zinc/35/24/29/420352429.db2.gz FPPCTCRHSQMNJJ-UHFFFAOYSA-N 2 2 272.374 -0.142 20 0 CBADLP CCS(=O)(=O)NCC[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657332978 420353855 /nfs/dbraw/zinc/35/38/55/420353855.db2.gz SHMPFTUQIJRUSY-UHFFFAOYSA-N 2 2 272.374 -0.142 20 0 CBADLP Cc1[nH+]cc(C[NH2+]C[C@]2(OCCO)CCOC2)n1C ZINC000657598606 420356735 /nfs/dbraw/zinc/35/67/35/420356735.db2.gz NJHFPBHYIJVRIB-CYBMUJFWSA-N 2 2 269.345 -0.014 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@@]1(OCCO)CCOC1 ZINC000657597809 420358134 /nfs/dbraw/zinc/35/81/34/420358134.db2.gz PPPFIQBXGCSRGN-UPJWGTAASA-N 2 2 258.362 -0.306 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@@]1(OCCO)CCOC1 ZINC000657597809 420358140 /nfs/dbraw/zinc/35/81/40/420358140.db2.gz PPPFIQBXGCSRGN-UPJWGTAASA-N 2 2 258.362 -0.306 20 0 CBADLP Cc1nc(N[C@@H]2CCC[N@H+](CCCO)C2)nc(N(C)C)[nH+]1 ZINC000450613258 420298307 /nfs/dbraw/zinc/29/83/07/420298307.db2.gz LIBRTEDEPBRVCW-GFCCVEGCSA-N 2 2 294.403 0.505 20 0 CBADLP Cc1nc(N[C@@H]2CCC[N@@H+](CCCO)C2)nc(N(C)C)[nH+]1 ZINC000450613258 420298314 /nfs/dbraw/zinc/29/83/14/420298314.db2.gz LIBRTEDEPBRVCW-GFCCVEGCSA-N 2 2 294.403 0.505 20 0 CBADLP COc1c(N)[nH+]cnc1N1CC[N@H+](CCO)C(C)(C)C1 ZINC000656173753 420301445 /nfs/dbraw/zinc/30/14/45/420301445.db2.gz FIRMYXUMPRPTJY-UHFFFAOYSA-N 2 2 281.360 -0.040 20 0 CBADLP COc1c(N)[nH+]cnc1N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000656173753 420301446 /nfs/dbraw/zinc/30/14/46/420301446.db2.gz FIRMYXUMPRPTJY-UHFFFAOYSA-N 2 2 281.360 -0.040 20 0 CBADLP [NH3+]CCCn1cc(C(=O)Nc2cc[nH+]cc2O)nn1 ZINC000517028306 420370331 /nfs/dbraw/zinc/37/03/31/420370331.db2.gz AQSONLVNOSPLBH-UHFFFAOYSA-N 2 2 262.273 -0.598 20 0 CBADLP C[N@@H+]1CCN(C(=O)NC[C@@H]2CCCCO2)[C@@H](C[NH3+])C1 ZINC000517337641 420373920 /nfs/dbraw/zinc/37/39/20/420373920.db2.gz MZQVIXZLYHLQHG-RYUDHWBXSA-N 2 2 270.377 -0.160 20 0 CBADLP C[N@H+]1CCN(C(=O)NC[C@@H]2CCCCO2)[C@@H](C[NH3+])C1 ZINC000517337641 420373926 /nfs/dbraw/zinc/37/39/26/420373926.db2.gz MZQVIXZLYHLQHG-RYUDHWBXSA-N 2 2 270.377 -0.160 20 0 CBADLP C[N@@H+]1CCN(C(=O)NCC2([NH3+])CCCCC2)[C@@H](C[NH3+])C1 ZINC000517225259 420374335 /nfs/dbraw/zinc/37/43/35/420374335.db2.gz RULJMAONAVEIBG-LBPRGKRZSA-N 3 2 283.420 -0.068 20 0 CBADLP C[N@H+]1CCN(C(=O)NCC2([NH3+])CCCCC2)[C@@H](C[NH3+])C1 ZINC000517225259 420374340 /nfs/dbraw/zinc/37/43/40/420374340.db2.gz RULJMAONAVEIBG-LBPRGKRZSA-N 3 2 283.420 -0.068 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000519644195 420383473 /nfs/dbraw/zinc/38/34/73/420383473.db2.gz HUTBEZWEDGOEFT-NSHDSACASA-N 2 2 256.350 -0.678 20 0 CBADLP CCC(CC)NC(=O)[C@H](C)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000519659209 420386765 /nfs/dbraw/zinc/38/67/65/420386765.db2.gz XGOXPOHYSXCFIJ-CYZMBNFOSA-N 2 2 296.415 -0.077 20 0 CBADLP CCC(CC)NC(=O)[C@H](C)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000519659209 420386769 /nfs/dbraw/zinc/38/67/69/420386769.db2.gz XGOXPOHYSXCFIJ-CYZMBNFOSA-N 2 2 296.415 -0.077 20 0 CBADLP C[C@@H](CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])Cn1cccn1 ZINC000519753407 420388283 /nfs/dbraw/zinc/38/82/83/420388283.db2.gz MGAIBMYALNAGNA-QWHCGFSZSA-N 2 2 294.403 -0.197 20 0 CBADLP C[C@@H](CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])Cn1cccn1 ZINC000519753407 420388286 /nfs/dbraw/zinc/38/82/86/420388286.db2.gz MGAIBMYALNAGNA-QWHCGFSZSA-N 2 2 294.403 -0.197 20 0 CBADLP CCN(C(=O)C(=O)N1CC[NH+](CC)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000658807491 420388347 /nfs/dbraw/zinc/38/83/47/420388347.db2.gz ORDWLRKUZGXHER-CYBMUJFWSA-N 2 2 296.415 -0.297 20 0 CBADLP CCN(C(=O)C(=O)N1CC[NH+](CC)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000658807491 420388350 /nfs/dbraw/zinc/38/83/50/420388350.db2.gz ORDWLRKUZGXHER-CYBMUJFWSA-N 2 2 296.415 -0.297 20 0 CBADLP O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000521273478 420392583 /nfs/dbraw/zinc/39/25/83/420392583.db2.gz STZCBEQONYKHOQ-NSHDSACASA-N 2 2 291.355 -0.406 20 0 CBADLP O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000521273478 420392590 /nfs/dbraw/zinc/39/25/90/420392590.db2.gz STZCBEQONYKHOQ-NSHDSACASA-N 2 2 291.355 -0.406 20 0 CBADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)[NH+](C)C)CC1 ZINC000674266286 544901754 /nfs/dbraw/zinc/90/17/54/544901754.db2.gz NPDHYQWOJQUWFK-LBPRGKRZSA-N 2 2 284.404 -0.393 20 0 CBADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C)[NH+](C)C)CC1 ZINC000674266286 544901759 /nfs/dbraw/zinc/90/17/59/544901759.db2.gz NPDHYQWOJQUWFK-LBPRGKRZSA-N 2 2 284.404 -0.393 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000673662645 544883522 /nfs/dbraw/zinc/88/35/22/544883522.db2.gz QKJAJMOQRKBFIN-OLZOCXBDSA-N 2 2 278.356 -0.059 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000673662659 544883682 /nfs/dbraw/zinc/88/36/82/544883682.db2.gz QKJAJMOQRKBFIN-STQMWFEESA-N 2 2 278.356 -0.059 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000673662649 544884230 /nfs/dbraw/zinc/88/42/30/544884230.db2.gz QKJAJMOQRKBFIN-QWHCGFSZSA-N 2 2 278.356 -0.059 20 0 CBADLP C[C@H](NC(=O)CN1CC[NH+](C)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000676346635 544948507 /nfs/dbraw/zinc/94/85/07/544948507.db2.gz COTQICNFRDWATR-STQMWFEESA-N 2 2 284.404 -0.931 20 0 CBADLP C[C@H](NC(=O)CN1CC[NH+](C)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676346635 544948513 /nfs/dbraw/zinc/94/85/13/544948513.db2.gz COTQICNFRDWATR-STQMWFEESA-N 2 2 284.404 -0.931 20 0 CBADLP C[C@H](NC(=O)[C@H](C)N1CC[NH+](C)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000676347982 544949404 /nfs/dbraw/zinc/94/94/04/544949404.db2.gz KYUWSESCEHDERJ-IHRRRGAJSA-N 2 2 298.431 -0.542 20 0 CBADLP C[C@H](NC(=O)[C@H](C)N1CC[NH+](C)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676347982 544949406 /nfs/dbraw/zinc/94/94/06/544949406.db2.gz KYUWSESCEHDERJ-IHRRRGAJSA-N 2 2 298.431 -0.542 20 0 CBADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCN(C)S(C)(=O)=O ZINC000674878364 544920257 /nfs/dbraw/zinc/92/02/57/544920257.db2.gz HBGVEPIFNUWLPY-QWRGUYRKSA-N 2 2 263.407 -0.192 20 0 CBADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCN(C)S(C)(=O)=O ZINC000674878364 544920259 /nfs/dbraw/zinc/92/02/59/544920259.db2.gz HBGVEPIFNUWLPY-QWRGUYRKSA-N 2 2 263.407 -0.192 20 0 CBADLP CCN(CC)C(=O)C[C@H](C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000675782472 544936341 /nfs/dbraw/zinc/93/63/41/544936341.db2.gz UKYSVPPTSXXCCT-ZDUSSCGKSA-N 2 2 298.431 -0.003 20 0 CBADLP C[NH2+]C[C@H](C)NC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000659434827 420419567 /nfs/dbraw/zinc/41/95/67/420419567.db2.gz CMMQILAAFUHBLQ-WDEREUQCSA-N 2 2 258.366 -0.386 20 0 CBADLP C[NH2+]C[C@H](C)NC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000659487010 420422579 /nfs/dbraw/zinc/42/25/79/420422579.db2.gz MTWRRWHIVYFFJU-NSHDSACASA-N 2 2 270.377 -0.242 20 0 CBADLP CC1(C)C[NH2+][C@@H]1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659358066 420414559 /nfs/dbraw/zinc/41/45/59/420414559.db2.gz OOLHOWQMIJUCSG-VXGBXAGGSA-N 2 2 267.373 -0.083 20 0 CBADLP C[NH2+]C[C@H](C)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659357445 420414828 /nfs/dbraw/zinc/41/48/28/420414828.db2.gz HVHJLYXXNLFEKW-RYUDHWBXSA-N 2 2 255.362 -0.225 20 0 CBADLP CC1(C)C[NH2+][C@H]1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659358063 420415286 /nfs/dbraw/zinc/41/52/86/420415286.db2.gz OOLHOWQMIJUCSG-NEPJUHHUSA-N 2 2 267.373 -0.083 20 0 CBADLP O=C([C@@H]1CCC[NH2+]1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659357760 420415399 /nfs/dbraw/zinc/41/53/99/420415399.db2.gz LYYHFCMKUINVHI-RYUDHWBXSA-N 2 2 253.346 -0.329 20 0 CBADLP C[C@@H](C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)[C@H](C)[NH3+] ZINC000659358667 420416350 /nfs/dbraw/zinc/41/63/50/420416350.db2.gz SOTJOXQCVKNWHK-GRYCIOLGSA-N 2 2 255.362 -0.097 20 0 CBADLP COCC[NH2+]CC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659359068 420417030 /nfs/dbraw/zinc/41/70/30/420417030.db2.gz VZGOJTUBVDVVDC-LBPRGKRZSA-N 2 2 271.361 -0.845 20 0 CBADLP Cc1cncc(CCNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])n1 ZINC000659605271 420436376 /nfs/dbraw/zinc/43/63/76/420436376.db2.gz BWIROMWFZIKZCH-ZDUSSCGKSA-N 2 2 292.387 -0.388 20 0 CBADLP COC[C@H](O)C[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000678081737 545012970 /nfs/dbraw/zinc/01/29/70/545012970.db2.gz YMFPNQSHIKTMGT-CHWSQXEVSA-N 2 2 285.388 -0.592 20 0 CBADLP COC[C@H](O)C[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000678081737 545012973 /nfs/dbraw/zinc/01/29/73/545012973.db2.gz YMFPNQSHIKTMGT-CHWSQXEVSA-N 2 2 285.388 -0.592 20 0 CBADLP CC(=O)NCCC[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000678081994 545013040 /nfs/dbraw/zinc/01/30/40/545013040.db2.gz ZZEWKZKJUNXTKM-CQSZACIVSA-N 2 2 296.415 -0.073 20 0 CBADLP CC(=O)NCCC[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000678081994 545013042 /nfs/dbraw/zinc/01/30/42/545013042.db2.gz ZZEWKZKJUNXTKM-CQSZACIVSA-N 2 2 296.415 -0.073 20 0 CBADLP [NH3+]CCCNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659511243 420425948 /nfs/dbraw/zinc/42/59/48/420425948.db2.gz FRURJLCYBXOLCW-LLVKDONJSA-N 2 2 256.350 -0.549 20 0 CBADLP C[C@@H]1C[C@H]([NH2+]CCc2nnnn2C)C[N@@H+]1C1CC1 ZINC000678498355 545017729 /nfs/dbraw/zinc/01/77/29/545017729.db2.gz ICHCQDQOXMLACS-ZJUUUORDSA-N 2 2 250.350 -0.033 20 0 CBADLP C[C@@H]1C[C@H]([NH2+]CCc2nnnn2C)C[N@H+]1C1CC1 ZINC000678498355 545017732 /nfs/dbraw/zinc/01/77/32/545017732.db2.gz ICHCQDQOXMLACS-ZJUUUORDSA-N 2 2 250.350 -0.033 20 0 CBADLP O=C(C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1)NC1CC1 ZINC000678714319 545020677 /nfs/dbraw/zinc/02/06/77/545020677.db2.gz FNMYIYXJRFHHPY-UHFFFAOYSA-N 2 2 297.399 -0.576 20 0 CBADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1nccn1C ZINC000678767438 545021124 /nfs/dbraw/zinc/02/11/24/545021124.db2.gz KBGOTHFWNTUAFU-NSHDSACASA-N 2 2 265.361 -0.155 20 0 CBADLP C[C@H](CC[NH3+])NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659529276 420429387 /nfs/dbraw/zinc/42/93/87/420429387.db2.gz JDJGQVMPJUJQEK-NEPJUHHUSA-N 2 2 270.377 -0.160 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](C(C)(C)CO)CC2)C1 ZINC000679314869 545026652 /nfs/dbraw/zinc/02/66/52/545026652.db2.gz KZLXGYBSNOBJGZ-LBPRGKRZSA-N 2 2 285.388 -0.768 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N2CC[NH+](C(C)(C)CO)CC2)C1 ZINC000679314869 545026655 /nfs/dbraw/zinc/02/66/55/545026655.db2.gz KZLXGYBSNOBJGZ-LBPRGKRZSA-N 2 2 285.388 -0.768 20 0 CBADLP CC(C)(CO)[NH+]1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000679314902 545026666 /nfs/dbraw/zinc/02/66/66/545026666.db2.gz LRIZBPWZCJTJIB-UHFFFAOYSA-N 2 2 266.345 -0.202 20 0 CBADLP C[C@H](C[NH3+])NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659531531 420429962 /nfs/dbraw/zinc/42/99/62/420429962.db2.gz XABZGHUFWPWJRO-MNOVXSKESA-N 2 2 256.350 -0.550 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CC(CO)C3)C2)CC1 ZINC000682868826 545061980 /nfs/dbraw/zinc/06/19/80/545061980.db2.gz PCHYZZJMFOIDLO-ZDUSSCGKSA-N 2 2 296.415 -0.211 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CC(CO)C3)C2)CC1 ZINC000682868826 545061981 /nfs/dbraw/zinc/06/19/81/545061981.db2.gz PCHYZZJMFOIDLO-ZDUSSCGKSA-N 2 2 296.415 -0.211 20 0 CBADLP COc1cccc(C[NH2+]CC(=O)N2CC[NH+](C)CC2)n1 ZINC000682940037 545062168 /nfs/dbraw/zinc/06/21/68/545062168.db2.gz FKUSTHPOTDUPPV-UHFFFAOYSA-N 2 2 278.356 -0.046 20 0 CBADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccnn1C ZINC000683690990 545066991 /nfs/dbraw/zinc/06/69/91/545066991.db2.gz SISQSBAVWZUABF-LLVKDONJSA-N 2 2 265.361 -0.155 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CCCC(N)=O)C2)CC1 ZINC000683851595 545067479 /nfs/dbraw/zinc/06/74/79/545067479.db2.gz YMJGLHVWHQBSGI-LBPRGKRZSA-N 2 2 296.415 -0.073 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CCCC(N)=O)C2)CC1 ZINC000683851595 545067481 /nfs/dbraw/zinc/06/74/81/545067481.db2.gz YMJGLHVWHQBSGI-LBPRGKRZSA-N 2 2 296.415 -0.073 20 0 CBADLP CCN1OC[C@H]([N@H+](C)CCCN2CC[NH+](C)CC2)C1=O ZINC000683900459 545067970 /nfs/dbraw/zinc/06/79/70/545067970.db2.gz WPLZNMANURTRTD-ZDUSSCGKSA-N 2 2 284.404 -0.282 20 0 CBADLP CCN1OC[C@H]([N@@H+](C)CCCN2CC[NH+](C)CC2)C1=O ZINC000683900459 545067971 /nfs/dbraw/zinc/06/79/71/545067971.db2.gz WPLZNMANURTRTD-ZDUSSCGKSA-N 2 2 284.404 -0.282 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH+]3CCC3)[C@@H](F)C2)C1 ZINC000684180142 545072464 /nfs/dbraw/zinc/07/24/64/545072464.db2.gz VWWBTAKGUZDXLD-XQQFMLRXSA-N 2 2 285.363 -0.038 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH+]3CCC3)[C@@H](F)C2)C1 ZINC000684180142 545072465 /nfs/dbraw/zinc/07/24/65/545072465.db2.gz VWWBTAKGUZDXLD-XQQFMLRXSA-N 2 2 285.363 -0.038 20 0 CBADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)[C@H](C)[NH+](C)C)[C@H](C)C1 ZINC000684480302 545074646 /nfs/dbraw/zinc/07/46/46/545074646.db2.gz ACWPNCDPNMHYPO-UTUOFQBUSA-N 2 2 257.378 -0.150 20 0 CBADLP C[C@@H](O)C[N@H+]1CCN(C(=O)[C@H](C)[NH+](C)C)[C@H](C)C1 ZINC000684480302 545074647 /nfs/dbraw/zinc/07/46/47/545074647.db2.gz ACWPNCDPNMHYPO-UTUOFQBUSA-N 2 2 257.378 -0.150 20 0 CBADLP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H](C)[NH+](C)C)[C@H](C)C1 ZINC000684480303 545074757 /nfs/dbraw/zinc/07/47/57/545074757.db2.gz ACWPNCDPNMHYPO-WOPDTQHZSA-N 2 2 257.378 -0.150 20 0 CBADLP C[C@H](O)C[N@H+]1CCN(C(=O)[C@H](C)[NH+](C)C)[C@H](C)C1 ZINC000684480303 545074758 /nfs/dbraw/zinc/07/47/58/545074758.db2.gz ACWPNCDPNMHYPO-WOPDTQHZSA-N 2 2 257.378 -0.150 20 0 CBADLP CNC(=O)CC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681273943 545046447 /nfs/dbraw/zinc/04/64/47/545046447.db2.gz NOXSFLMQWHIMGQ-ZDUSSCGKSA-N 2 2 296.415 -0.251 20 0 CBADLP CNC(=O)CC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681273943 545046448 /nfs/dbraw/zinc/04/64/48/545046448.db2.gz NOXSFLMQWHIMGQ-ZDUSSCGKSA-N 2 2 296.415 -0.251 20 0 CBADLP CN1CC[C@H](C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1=O ZINC000681303797 545046751 /nfs/dbraw/zinc/04/67/51/545046751.db2.gz YXYLGLSMHPZYSZ-CYBMUJFWSA-N 2 2 296.415 -0.393 20 0 CBADLP Cc1cc(NCC[NH+]2CCN(S(C)(=O)=O)CC2)cc[nH+]1 ZINC000681377753 545048008 /nfs/dbraw/zinc/04/80/08/545048008.db2.gz GJRFRVMCXAWFML-UHFFFAOYSA-N 2 2 298.412 -0.199 20 0 CBADLP C[C@H](NC(=O)N1CCN(C)C[C@H]1C[NH3+])c1[nH+]ccn1C ZINC000659628335 420439226 /nfs/dbraw/zinc/43/92/26/420439226.db2.gz OQEQYSSCKVMMII-WDEREUQCSA-N 2 2 280.376 -0.235 20 0 CBADLP C[NH2+]C[C@@H](C)NC(=O)N(C)CC[NH+]1CCOCC1 ZINC000659635115 420439572 /nfs/dbraw/zinc/43/95/72/420439572.db2.gz AMFNLZYGERYQAL-LLVKDONJSA-N 2 2 258.366 -0.432 20 0 CBADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000494309855 230353395 /nfs/dbraw/zinc/35/33/95/230353395.db2.gz PWKYFMNUDUNDAR-FQUUOJAGSA-N 2 2 299.415 -0.021 20 0 CBADLP C[NH+](C)CC(=O)NC[C@@H]1CCC[C@H]1NC(=O)C[NH+](C)C ZINC000682360828 545055782 /nfs/dbraw/zinc/05/57/82/545055782.db2.gz VGQHYDLJIOIIKM-NWDGAFQWSA-N 2 2 284.404 -0.489 20 0 CBADLP C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000659703447 420452747 /nfs/dbraw/zinc/45/27/47/420452747.db2.gz BYQFXKQBIPTDIT-ZJUUUORDSA-N 2 2 267.333 -0.888 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659704406 420453436 /nfs/dbraw/zinc/45/34/36/420453436.db2.gz OGHNJYGEBRZRHJ-LLVKDONJSA-N 2 2 293.371 -0.225 20 0 CBADLP Cc1cn2c([nH+]1)CN(C(=O)C(=O)N[C@H]1CC[NH2+]C1)CC2 ZINC000659731178 420460916 /nfs/dbraw/zinc/46/09/16/420460916.db2.gz GEGPMWBLZSYEEJ-JTQLQIEISA-N 2 2 277.328 -0.988 20 0 CBADLP C[N@@H+]1CCN(C(=O)Nc2cc3ccccn3n2)[C@@H](C[NH3+])C1 ZINC000581536610 420471585 /nfs/dbraw/zinc/47/15/85/420471585.db2.gz KCMOPAANOYVDNG-LBPRGKRZSA-N 2 2 288.355 0.441 20 0 CBADLP C[N@H+]1CCN(C(=O)Nc2cc3ccccn3n2)[C@@H](C[NH3+])C1 ZINC000581536610 420471587 /nfs/dbraw/zinc/47/15/87/420471587.db2.gz KCMOPAANOYVDNG-LBPRGKRZSA-N 2 2 288.355 0.441 20 0 CBADLP CCN1CC[C@H]([NH+]2CCN(C(=O)C[NH+](C)C)CC2)C1=O ZINC000659836874 420472091 /nfs/dbraw/zinc/47/20/91/420472091.db2.gz BJXSJOLLHJXREK-LBPRGKRZSA-N 2 2 282.388 -0.687 20 0 CBADLP COC[C@@H](C[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1)OC ZINC000659878912 420475761 /nfs/dbraw/zinc/47/57/61/420475761.db2.gz RUOZDGFGYCXUGX-CQSZACIVSA-N 2 2 299.415 -0.112 20 0 CBADLP COC[C@H](C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)OC ZINC000660010476 420480579 /nfs/dbraw/zinc/48/05/79/420480579.db2.gz ASYMWVCMHMVYIU-UONOGXRCSA-N 2 2 299.415 -0.114 20 0 CBADLP COC[C@H](C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)OC ZINC000660010476 420480582 /nfs/dbraw/zinc/48/05/82/420480582.db2.gz ASYMWVCMHMVYIU-UONOGXRCSA-N 2 2 299.415 -0.114 20 0 CBADLP COCC[N@H+](C)C[C@H](O)CN(C)Cc1[nH]cc[nH+]1 ZINC000660142985 420484988 /nfs/dbraw/zinc/48/49/88/420484988.db2.gz NSCQNNSQJUWEBF-NSHDSACASA-N 2 2 256.350 -0.219 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)CN(C)Cc1[nH]cc[nH+]1 ZINC000660142985 420484989 /nfs/dbraw/zinc/48/49/89/420484989.db2.gz NSCQNNSQJUWEBF-NSHDSACASA-N 2 2 256.350 -0.219 20 0 CBADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCNC(=O)C[C@@H]1C ZINC000660144654 420485030 /nfs/dbraw/zinc/48/50/30/420485030.db2.gz FUSRDFDQRAJNKL-NWDGAFQWSA-N 2 2 257.378 -0.102 20 0 CBADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCNC(=O)C[C@@H]1C ZINC000660144654 420485032 /nfs/dbraw/zinc/48/50/32/420485032.db2.gz FUSRDFDQRAJNKL-NWDGAFQWSA-N 2 2 257.378 -0.102 20 0 CBADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCNC(=O)C[C@@H]1C ZINC000660144654 420485033 /nfs/dbraw/zinc/48/50/33/420485033.db2.gz FUSRDFDQRAJNKL-NWDGAFQWSA-N 2 2 257.378 -0.102 20 0 CBADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCNC(=O)C[C@@H]1C ZINC000660144654 420485035 /nfs/dbraw/zinc/48/50/35/420485035.db2.gz FUSRDFDQRAJNKL-NWDGAFQWSA-N 2 2 257.378 -0.102 20 0 CBADLP Nc1ccc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cn1 ZINC000594738634 420486264 /nfs/dbraw/zinc/48/62/64/420486264.db2.gz IWUBINSWXYYMHA-WDEREUQCSA-N 2 2 261.329 -0.592 20 0 CBADLP CN1CC(=O)N(CC[NH+]2CCN(c3[nH]cc[nH+]3)CC2)C1=O ZINC000660420987 420490767 /nfs/dbraw/zinc/49/07/67/420490767.db2.gz VUUJEKSYQFWKHN-UHFFFAOYSA-N 2 2 292.343 -0.574 20 0 CBADLP NC(=O)c1cccc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1 ZINC000517395449 260182775 /nfs/dbraw/zinc/18/27/75/260182775.db2.gz JALURSUGCVNHMS-QWHCGFSZSA-N 2 2 288.351 -0.471 20 0 CBADLP NC(=O)c1cccc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1 ZINC000517395449 260182777 /nfs/dbraw/zinc/18/27/77/260182777.db2.gz JALURSUGCVNHMS-QWHCGFSZSA-N 2 2 288.351 -0.471 20 0 CBADLP C[NH+]1CCN(C(=O)CC[NH2+]Cc2ncc[nH]2)CC1 ZINC000066593823 260247249 /nfs/dbraw/zinc/24/72/49/260247249.db2.gz RTPPQGZDKIUGQV-UHFFFAOYSA-N 2 2 251.334 -0.337 20 0 CBADLP C[C@H](O)C[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000685003692 545078838 /nfs/dbraw/zinc/07/88/38/545078838.db2.gz KYOBFVDXCUPZPC-CMPLNLGQSA-N 2 2 255.362 -0.219 20 0 CBADLP C[C@H](O)C[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000685003692 545078839 /nfs/dbraw/zinc/07/88/39/545078839.db2.gz KYOBFVDXCUPZPC-CMPLNLGQSA-N 2 2 255.362 -0.219 20 0 CBADLP CC(C)[C@H]([NH3+])CCN(C)C(=O)CN1CC[NH2+]CC1=O ZINC000236825173 269578404 /nfs/dbraw/zinc/57/84/04/269578404.db2.gz FONQWZHJRRQUKF-LLVKDONJSA-N 2 2 270.377 -0.750 20 0 CBADLP CC[NH2+]CCNC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000417043806 279503724 /nfs/dbraw/zinc/50/37/24/279503724.db2.gz XWZSFSGIXSQOSK-LLVKDONJSA-N 2 2 258.366 -0.384 20 0 CBADLP CC[N@@H+]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC000341781230 276190663 /nfs/dbraw/zinc/19/06/63/276190663.db2.gz VBIRHKBVPVABBR-NEPJUHHUSA-N 2 2 255.362 -0.130 20 0 CBADLP CC[N@H+]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC000341781230 276190665 /nfs/dbraw/zinc/19/06/65/276190665.db2.gz VBIRHKBVPVABBR-NEPJUHHUSA-N 2 2 255.362 -0.130 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)[C@H](C)C1 ZINC000341781230 276190666 /nfs/dbraw/zinc/19/06/66/276190666.db2.gz VBIRHKBVPVABBR-NEPJUHHUSA-N 2 2 255.362 -0.130 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H](C)C1 ZINC000341781230 276190667 /nfs/dbraw/zinc/19/06/67/276190667.db2.gz VBIRHKBVPVABBR-NEPJUHHUSA-N 2 2 255.362 -0.130 20 0 CBADLP CC[N@@H+]1CC[C@@H]2OCCN(C(=O)[C@H]3C[NH+](C)CCO3)[C@H]2C1 ZINC000355360101 276218862 /nfs/dbraw/zinc/21/88/62/276218862.db2.gz GOANPOXBYKVCML-MELADBBJSA-N 2 2 297.399 -0.361 20 0 CBADLP CC[N@H+]1CC[C@@H]2OCCN(C(=O)[C@H]3C[NH+](C)CCO3)[C@H]2C1 ZINC000355360101 276218863 /nfs/dbraw/zinc/21/88/63/276218863.db2.gz GOANPOXBYKVCML-MELADBBJSA-N 2 2 297.399 -0.361 20 0 CBADLP CC[NH+]1CC[C@@H]2OCCN(C(=O)[C@H]3C[N@H+](C)CCO3)[C@H]2C1 ZINC000355360101 276218864 /nfs/dbraw/zinc/21/88/64/276218864.db2.gz GOANPOXBYKVCML-MELADBBJSA-N 2 2 297.399 -0.361 20 0 CBADLP CC[NH+]1CC[C@@H]2OCCN(C(=O)[C@H]3C[N@@H+](C)CCO3)[C@H]2C1 ZINC000355360101 276218866 /nfs/dbraw/zinc/21/88/66/276218866.db2.gz GOANPOXBYKVCML-MELADBBJSA-N 2 2 297.399 -0.361 20 0 CBADLP CC[NH+](CC)CC(=O)N1CC[NH+]([C@@H]2COC[C@@H]2O)CC1 ZINC000340286739 276321734 /nfs/dbraw/zinc/32/17/34/276321734.db2.gz UMEAIYRYZAINAP-OLZOCXBDSA-N 2 2 285.388 -0.768 20 0 CBADLP CCN1CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)[C@@H](C)C1=O ZINC000338311181 276383593 /nfs/dbraw/zinc/38/35/93/276383593.db2.gz WEYXKWIEXXIPQT-ZDUSSCGKSA-N 2 2 296.415 -0.297 20 0 CBADLP CCN1CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)[C@@H](C)C1=O ZINC000338311181 276383594 /nfs/dbraw/zinc/38/35/94/276383594.db2.gz WEYXKWIEXXIPQT-ZDUSSCGKSA-N 2 2 296.415 -0.297 20 0 CBADLP COCC(=O)NC1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000685561387 545081754 /nfs/dbraw/zinc/08/17/54/545081754.db2.gz HQABYWBQSUYNSY-AWEZNQCLSA-N 2 2 299.415 -0.332 20 0 CBADLP COCC(=O)NC1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000685561387 545081757 /nfs/dbraw/zinc/08/17/57/545081757.db2.gz HQABYWBQSUYNSY-AWEZNQCLSA-N 2 2 299.415 -0.332 20 0 CBADLP CN(C)CC[N@H+](C)CCCNC(=O)CN1CC[NH+](C)CC1 ZINC000685861841 545082589 /nfs/dbraw/zinc/08/25/89/545082589.db2.gz WZVIBQZBOOISFP-UHFFFAOYSA-N 2 2 299.463 -0.767 20 0 CBADLP CN(C)CC[N@@H+](C)CCCNC(=O)CN1CC[NH+](C)CC1 ZINC000685861841 545082590 /nfs/dbraw/zinc/08/25/90/545082590.db2.gz WZVIBQZBOOISFP-UHFFFAOYSA-N 2 2 299.463 -0.767 20 0 CBADLP CN(CCCNC(=O)CN1CC[NH+](C)CC1)CC[NH+](C)C ZINC000685861841 545082592 /nfs/dbraw/zinc/08/25/92/545082592.db2.gz WZVIBQZBOOISFP-UHFFFAOYSA-N 2 2 299.463 -0.767 20 0 CBADLP CC[C@H]([NH3+])C(=O)N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC000178855542 287925837 /nfs/dbraw/zinc/92/58/37/287925837.db2.gz UNGOQNXJFJLKGA-OLZOCXBDSA-N 2 2 296.415 -0.121 20 0 CBADLP CC(=O)N[C@@H]1CCCN(C(=O)C[NH2+][C@@](C)(C[NH3+])C2CC2)C1 ZINC000430588804 277045065 /nfs/dbraw/zinc/04/50/65/277045065.db2.gz GAXVIUVISSJFQG-HIFRSBDPSA-N 2 2 296.415 -0.170 20 0 CBADLP COC(=O)[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)[C@H]1C ZINC000347213464 277090945 /nfs/dbraw/zinc/09/09/45/277090945.db2.gz PPSQHNHVTRQSGZ-NWDGAFQWSA-N 2 2 283.372 -0.356 20 0 CBADLP COC(=O)[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)[C@H]1C ZINC000347213464 277090947 /nfs/dbraw/zinc/09/09/47/277090947.db2.gz PPSQHNHVTRQSGZ-NWDGAFQWSA-N 2 2 283.372 -0.356 20 0 CBADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)C[C@H]2CC[NH2+]C2)CC1 ZINC000427284062 277125876 /nfs/dbraw/zinc/12/58/76/277125876.db2.gz YZBQIYRJZWYRGS-LLVKDONJSA-N 2 2 282.388 -0.606 20 0 CBADLP CN1C(=O)C[C@H]([N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)C1=O ZINC000368322568 277160819 /nfs/dbraw/zinc/16/08/19/277160819.db2.gz VANAOZNWSJMBMP-GXFFZTMASA-N 2 2 251.330 -0.229 20 0 CBADLP CN1C(=O)C[C@H]([N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)C1=O ZINC000368322568 277160821 /nfs/dbraw/zinc/16/08/21/277160821.db2.gz VANAOZNWSJMBMP-GXFFZTMASA-N 2 2 251.330 -0.229 20 0 CBADLP CN1C(=O)C[C@H]([NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)C1=O ZINC000368322568 277160822 /nfs/dbraw/zinc/16/08/22/277160822.db2.gz VANAOZNWSJMBMP-GXFFZTMASA-N 2 2 251.330 -0.229 20 0 CBADLP CN1C(=O)C[C@H]([NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)C1=O ZINC000368322568 277160823 /nfs/dbraw/zinc/16/08/23/277160823.db2.gz VANAOZNWSJMBMP-GXFFZTMASA-N 2 2 251.330 -0.229 20 0 CBADLP COC[C@H]([NH3+])C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000375831954 277261255 /nfs/dbraw/zinc/26/12/55/277261255.db2.gz AUHBVFSRIVBJCW-TUAOUCFPSA-N 2 2 271.361 -0.982 20 0 CBADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)C[NH+](C)C ZINC000367426466 277974747 /nfs/dbraw/zinc/97/47/47/277974747.db2.gz OUUDOMMYDWFZBE-VXGBXAGGSA-N 2 2 255.362 -0.130 20 0 CBADLP C[C@@H]1OCC[C@]1(C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000300421728 278063634 /nfs/dbraw/zinc/06/36/34/278063634.db2.gz BXGQVQZQWVATHR-AAEUAGOBSA-N 2 2 255.362 -0.083 20 0 CBADLP CC(=O)NCC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000377376078 278093246 /nfs/dbraw/zinc/09/32/46/278093246.db2.gz YCVMHLURCZHVJV-GFCCVEGCSA-N 2 2 296.415 -0.251 20 0 CBADLP CC(=O)NCC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000377376078 278093249 /nfs/dbraw/zinc/09/32/49/278093249.db2.gz YCVMHLURCZHVJV-GFCCVEGCSA-N 2 2 296.415 -0.251 20 0 CBADLP CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+](C)C2CC([NH3+])C2)C1 ZINC000514728545 278141806 /nfs/dbraw/zinc/14/18/06/278141806.db2.gz UGHNNVZHOOIDSF-OTTFEQOBSA-N 2 2 282.388 -0.465 20 0 CBADLP CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+](C)C2CC([NH3+])C2)C1 ZINC000514728545 278141807 /nfs/dbraw/zinc/14/18/07/278141807.db2.gz UGHNNVZHOOIDSF-OTTFEQOBSA-N 2 2 282.388 -0.465 20 0 CBADLP CC(=O)N[C@@H]1CCCN(C(=O)C[NH2+]CC2([NH3+])CCC2)C1 ZINC000342135106 278142748 /nfs/dbraw/zinc/14/27/48/278142748.db2.gz GTOKEEMBZFYNPK-GFCCVEGCSA-N 2 2 282.388 -0.416 20 0 CBADLP CC(=O)N[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@](C)(C[NH3+])C2)C1 ZINC000261721883 278177576 /nfs/dbraw/zinc/17/75/76/278177576.db2.gz NNIVQCCLNJJQCS-DZGCQCFKSA-N 2 2 296.415 -0.216 20 0 CBADLP CC(=O)N[C@H]1CCCN(C(=O)C[N@H+]2CC[C@](C)(C[NH3+])C2)C1 ZINC000261721883 278177577 /nfs/dbraw/zinc/17/75/77/278177577.db2.gz NNIVQCCLNJJQCS-DZGCQCFKSA-N 2 2 296.415 -0.216 20 0 CBADLP C[C@H](CO)[N@@H+](C[C@H](O)C[NH+](C)C1CC1)C[C@H](C)O ZINC000351624162 278212534 /nfs/dbraw/zinc/21/25/34/278212534.db2.gz WPXMJUIROLOTMJ-NTZNESFSSA-N 2 2 260.378 -0.495 20 0 CBADLP C[C@H](CO)[N@H+](C[C@H](O)C[NH+](C)C1CC1)C[C@H](C)O ZINC000351624162 278212535 /nfs/dbraw/zinc/21/25/35/278212535.db2.gz WPXMJUIROLOTMJ-NTZNESFSSA-N 2 2 260.378 -0.495 20 0 CBADLP C[C@H](CO)[NH+](C[C@H](O)C[N@H+](C)C1CC1)C[C@H](C)O ZINC000351624162 278212537 /nfs/dbraw/zinc/21/25/37/278212537.db2.gz WPXMJUIROLOTMJ-NTZNESFSSA-N 2 2 260.378 -0.495 20 0 CBADLP C[C@H](CO)[NH+](C[C@H](O)C[N@@H+](C)C1CC1)C[C@H](C)O ZINC000351624162 278212538 /nfs/dbraw/zinc/21/25/38/278212538.db2.gz WPXMJUIROLOTMJ-NTZNESFSSA-N 2 2 260.378 -0.495 20 0 CBADLP C[C@H]([NH3+])C(=O)N1CC[N@H+](C[C@@H]2CN(C)CCO2)C[C@H]1C ZINC000374798505 278223902 /nfs/dbraw/zinc/22/39/02/278223902.db2.gz JVFCKNVKPSYVCB-AGIUHOORSA-N 2 2 284.404 -0.803 20 0 CBADLP C[C@H]([NH3+])C(=O)N1CC[N@@H+](C[C@@H]2CN(C)CCO2)C[C@H]1C ZINC000374798505 278223903 /nfs/dbraw/zinc/22/39/03/278223903.db2.gz JVFCKNVKPSYVCB-AGIUHOORSA-N 2 2 284.404 -0.803 20 0 CBADLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC000063196168 278227606 /nfs/dbraw/zinc/22/76/06/278227606.db2.gz OTSHJCMUEYXSSU-JQWIXIFHSA-N 2 2 280.372 -0.214 20 0 CBADLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC000063196168 278227608 /nfs/dbraw/zinc/22/76/08/278227608.db2.gz OTSHJCMUEYXSSU-JQWIXIFHSA-N 2 2 280.372 -0.214 20 0 CBADLP C[C@H]1CN(C(=O)C2C[NH2+]C2)C[C@H]1[NH+]1CCOCC1 ZINC000262240987 278396232 /nfs/dbraw/zinc/39/62/32/278396232.db2.gz NYMRFWYIOWEVFC-CMPLNLGQSA-N 2 2 253.346 -0.615 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424340236 278831808 /nfs/dbraw/zinc/83/18/08/278831808.db2.gz XLGZPKQDYCTELK-VXGBXAGGSA-N 2 2 284.404 -0.170 20 0 CBADLP CC[N@H+](C)CCNC(=O)NCC[NH+]1CCOC[C@H]1C ZINC000356210894 279029610 /nfs/dbraw/zinc/02/96/10/279029610.db2.gz UYDJAMVXMGYDKO-GFCCVEGCSA-N 2 2 272.393 -0.042 20 0 CBADLP CC[N@@H+](C)CCNC(=O)NCC[NH+]1CCOC[C@H]1C ZINC000356210894 279029611 /nfs/dbraw/zinc/02/96/11/279029611.db2.gz UYDJAMVXMGYDKO-GFCCVEGCSA-N 2 2 272.393 -0.042 20 0 CBADLP CC[NH+](C)CCNC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000356210894 279029612 /nfs/dbraw/zinc/02/96/12/279029612.db2.gz UYDJAMVXMGYDKO-GFCCVEGCSA-N 2 2 272.393 -0.042 20 0 CBADLP CC[NH+](C)CCNC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000356210894 279029613 /nfs/dbraw/zinc/02/96/13/279029613.db2.gz UYDJAMVXMGYDKO-GFCCVEGCSA-N 2 2 272.393 -0.042 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000358014333 288098571 /nfs/dbraw/zinc/09/85/71/288098571.db2.gz CKKLYEMVQJSGIF-IJLUTSLNSA-N 2 2 275.418 -0.050 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000358014333 288098573 /nfs/dbraw/zinc/09/85/73/288098573.db2.gz CKKLYEMVQJSGIF-IJLUTSLNSA-N 2 2 275.418 -0.050 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N(C)C1CC([NH3+])C1 ZINC000331385081 279318565 /nfs/dbraw/zinc/31/85/65/279318565.db2.gz AZNZTVGQXVZSMP-VOMCLLRMSA-N 2 2 270.377 -0.162 20 0 CBADLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)OC)C2)CC1 ZINC000107368470 279368943 /nfs/dbraw/zinc/36/89/43/279368943.db2.gz UUOBDJDGMATKFC-GFCCVEGCSA-N 2 2 255.362 -0.129 20 0 CBADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)OC)C2)CC1 ZINC000107368470 279368944 /nfs/dbraw/zinc/36/89/44/279368944.db2.gz UUOBDJDGMATKFC-GFCCVEGCSA-N 2 2 255.362 -0.129 20 0 CBADLP CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3COCC[NH2+]3)C2)CC1 ZINC000424173548 279371954 /nfs/dbraw/zinc/37/19/54/279371954.db2.gz LGGDZVCYSWQWQD-KBPBESRZSA-N 2 2 296.415 -0.787 20 0 CBADLP C[C@@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)[C@H](C)CO1 ZINC000120482501 288138836 /nfs/dbraw/zinc/13/88/36/288138836.db2.gz UXQPJTVKIMQAHB-VXGBXAGGSA-N 2 2 255.362 -0.130 20 0 CBADLP C[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)[C@H](C)CO1 ZINC000120482501 288138837 /nfs/dbraw/zinc/13/88/37/288138837.db2.gz UXQPJTVKIMQAHB-VXGBXAGGSA-N 2 2 255.362 -0.130 20 0 CBADLP CC(C)[C@@H]1C[N@H+](C)CCN1C[C@@H](O)C[NH+]1CCOCC1 ZINC000336827006 280012731 /nfs/dbraw/zinc/01/27/31/280012731.db2.gz ZTPISKATUSNQJZ-GJZGRUSLSA-N 2 2 285.432 -0.049 20 0 CBADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C[C@@H](O)C[NH+]1CCOCC1 ZINC000336827006 280012732 /nfs/dbraw/zinc/01/27/32/280012732.db2.gz ZTPISKATUSNQJZ-GJZGRUSLSA-N 2 2 285.432 -0.049 20 0 CBADLP CC[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2C[C@H](OC)C[N@@H+]2C)CC1 ZINC000330532456 280205743 /nfs/dbraw/zinc/20/57/43/280205743.db2.gz HKNYKCJDUHHQFN-RDBSUJKOSA-N 2 2 299.415 -0.379 20 0 CBADLP CC[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2C[C@H](OC)C[N@H+]2C)CC1 ZINC000330532456 280205745 /nfs/dbraw/zinc/20/57/45/280205745.db2.gz HKNYKCJDUHHQFN-RDBSUJKOSA-N 2 2 299.415 -0.379 20 0 CBADLP CC[C@](C)([NH2+]CC(=O)N1CC[NH+](C)CC1)C(N)=O ZINC000180600958 281288639 /nfs/dbraw/zinc/28/86/39/281288639.db2.gz GTFHRKMZRNULRZ-LBPRGKRZSA-N 2 2 256.350 -0.996 20 0 CBADLP Cc1cn2c([nH+]1)CC[C@H](NC(=O)[C@H]1C[NH2+]CCO1)C2 ZINC000237878379 281534782 /nfs/dbraw/zinc/53/47/82/281534782.db2.gz AAPGCRZMMYLSKA-WDEREUQCSA-N 2 2 264.329 -0.389 20 0 CBADLP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)[C@H]([NH3+])CC(N)=O)C1 ZINC000353575459 288641921 /nfs/dbraw/zinc/64/19/21/288641921.db2.gz FMTUUXOVGKJJQM-WDEREUQCSA-N 2 2 293.371 -0.188 20 0 CBADLP C[NH+](C)CCNC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000342663840 289160683 /nfs/dbraw/zinc/16/06/83/289160683.db2.gz LJACTEKMYSVFPK-UHFFFAOYSA-N 2 2 272.393 -0.042 20 0 CBADLP C[NH+](C)CCNC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000342663840 289160687 /nfs/dbraw/zinc/16/06/87/289160687.db2.gz LJACTEKMYSVFPK-UHFFFAOYSA-N 2 2 272.393 -0.042 20 0 CBADLP C[C@@]1(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)CC[NH2+]C1 ZINC000261747754 289164794 /nfs/dbraw/zinc/16/47/94/289164794.db2.gz JGOYIXJXHUTKSM-DZGCQCFKSA-N 3 2 280.416 -0.118 20 0 CBADLP C[C@@]1(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)CC[NH2+]C1 ZINC000261747754 289164798 /nfs/dbraw/zinc/16/47/98/289164798.db2.gz JGOYIXJXHUTKSM-DZGCQCFKSA-N 3 2 280.416 -0.118 20 0 CBADLP CN(C)S(=O)(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000097000047 289251060 /nfs/dbraw/zinc/25/10/60/289251060.db2.gz JVVVBONIWNMZHG-UHFFFAOYSA-N 2 2 292.449 -0.249 20 0 CBADLP CN(C)S(=O)(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000097000047 289251064 /nfs/dbraw/zinc/25/10/64/289251064.db2.gz JVVVBONIWNMZHG-UHFFFAOYSA-N 2 2 292.449 -0.249 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C[C@@H]1COCC[NH2+]1 ZINC000128941044 289615887 /nfs/dbraw/zinc/61/58/87/289615887.db2.gz WPDBOXYDRPTKOD-VXGBXAGGSA-N 2 2 271.361 -0.798 20 0 CBADLP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000493895882 289783934 /nfs/dbraw/zinc/78/39/34/289783934.db2.gz AZCASANZTWBTEK-UWVGGRQHSA-N 2 2 270.377 -0.622 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@H+](C2CC2)[C@H]2CC[NH2+]C2)CC1 ZINC000420324316 290010806 /nfs/dbraw/zinc/01/08/06/290010806.db2.gz VGYRPNUCZSNSKQ-AWEZNQCLSA-N 3 2 280.416 -0.023 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@@H+](C2CC2)[C@H]2CC[NH2+]C2)CC1 ZINC000420324316 290010807 /nfs/dbraw/zinc/01/08/07/290010807.db2.gz VGYRPNUCZSNSKQ-AWEZNQCLSA-N 3 2 280.416 -0.023 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@H+](C2CC2)[C@@H]2CC[NH2+]C2)CC1 ZINC000420324317 290010841 /nfs/dbraw/zinc/01/08/41/290010841.db2.gz VGYRPNUCZSNSKQ-CQSZACIVSA-N 3 2 280.416 -0.023 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@@H+](C2CC2)[C@@H]2CC[NH2+]C2)CC1 ZINC000420324317 290010842 /nfs/dbraw/zinc/01/08/42/290010842.db2.gz VGYRPNUCZSNSKQ-CQSZACIVSA-N 3 2 280.416 -0.023 20 0 CBADLP COC[C@H](C)[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362830728 293018648 /nfs/dbraw/zinc/01/86/48/293018648.db2.gz MHKUTZNYJKCMCZ-RYUDHWBXSA-N 2 2 255.362 -0.083 20 0 CBADLP COC[C@H](C)[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362830728 293018652 /nfs/dbraw/zinc/01/86/52/293018652.db2.gz MHKUTZNYJKCMCZ-RYUDHWBXSA-N 2 2 255.362 -0.083 20 0 CBADLP CO[C@H](C[NH3+])C(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000353468586 294411513 /nfs/dbraw/zinc/41/15/13/294411513.db2.gz OUXAWPKODDUVEK-GRYCIOLGSA-N 2 2 271.361 -0.861 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000428990088 298134186 /nfs/dbraw/zinc/13/41/86/298134186.db2.gz HCUMWKFQHOTGKX-BXKDBHETSA-N 2 2 254.334 -0.403 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000428990088 298134187 /nfs/dbraw/zinc/13/41/87/298134187.db2.gz HCUMWKFQHOTGKX-BXKDBHETSA-N 2 2 254.334 -0.403 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000428990088 298134189 /nfs/dbraw/zinc/13/41/89/298134189.db2.gz HCUMWKFQHOTGKX-BXKDBHETSA-N 2 2 254.334 -0.403 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000428990088 298134190 /nfs/dbraw/zinc/13/41/90/298134190.db2.gz HCUMWKFQHOTGKX-BXKDBHETSA-N 2 2 254.334 -0.403 20 0 CBADLP Cn1nncc1C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000261940779 303109571 /nfs/dbraw/zinc/10/95/71/303109571.db2.gz DPSZIVPPPRSGJS-LLVKDONJSA-N 2 2 280.376 -0.365 20 0 CBADLP Cn1nncc1C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000261940779 303109572 /nfs/dbraw/zinc/10/95/72/303109572.db2.gz DPSZIVPPPRSGJS-LLVKDONJSA-N 2 2 280.376 -0.365 20 0 CBADLP C[N@H+](C[C@H](O)C[NH+]1CCC[C@@]12CCNC2=O)C1CC1 ZINC000576289773 335184241 /nfs/dbraw/zinc/18/42/41/335184241.db2.gz PHBYVFBAWSDSNA-JSGCOSHPSA-N 2 2 267.373 -0.204 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@@]12CCNC2=O)C1CC1 ZINC000576289773 335184242 /nfs/dbraw/zinc/18/42/42/335184242.db2.gz PHBYVFBAWSDSNA-JSGCOSHPSA-N 2 2 267.373 -0.204 20 0 CBADLP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@@]12CCNC2=O)C1CC1 ZINC000576289773 335184243 /nfs/dbraw/zinc/18/42/43/335184243.db2.gz PHBYVFBAWSDSNA-JSGCOSHPSA-N 2 2 267.373 -0.204 20 0 CBADLP O=C(NCC[NH+]1CCOCC1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000580170890 327719237 /nfs/dbraw/zinc/71/92/37/327719237.db2.gz NVQITSCVPYQSHY-BETUJISGSA-N 2 2 282.388 -0.146 20 0 CBADLP COC(=O)C[C@H]([NH3+])C(=O)NCc1cn2ccccc2[nH+]1 ZINC000563036646 327782887 /nfs/dbraw/zinc/78/28/87/327782887.db2.gz PAYLSZFWPLZOTC-JTQLQIEISA-N 2 2 276.296 -0.159 20 0 CBADLP CC[N@H+](C)C[C@@H](O)CN1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000563351362 328057246 /nfs/dbraw/zinc/05/72/46/328057246.db2.gz ZMCOOAFFCZJCGM-GFCCVEGCSA-N 2 2 286.420 -0.820 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)CN1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000563351362 328057247 /nfs/dbraw/zinc/05/72/47/328057247.db2.gz ZMCOOAFFCZJCGM-GFCCVEGCSA-N 2 2 286.420 -0.820 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)C1CCN(OC)CC1 ZINC000563368200 328059822 /nfs/dbraw/zinc/05/98/22/328059822.db2.gz TVFFEWOOVNYSJA-AWEZNQCLSA-N 2 2 289.420 -0.117 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)C1CCN(OC)CC1 ZINC000563368200 328059824 /nfs/dbraw/zinc/05/98/24/328059824.db2.gz TVFFEWOOVNYSJA-AWEZNQCLSA-N 2 2 289.420 -0.117 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)C1CCN(OC)CC1 ZINC000563368200 328059826 /nfs/dbraw/zinc/05/98/26/328059826.db2.gz TVFFEWOOVNYSJA-AWEZNQCLSA-N 2 2 289.420 -0.117 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)C1CCN(OC)CC1 ZINC000563368200 328059827 /nfs/dbraw/zinc/05/98/27/328059827.db2.gz TVFFEWOOVNYSJA-AWEZNQCLSA-N 2 2 289.420 -0.117 20 0 CBADLP COc1ncccc1CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000563545728 328072814 /nfs/dbraw/zinc/07/28/14/328072814.db2.gz XMBBQWNRMWWYTO-GFCCVEGCSA-N 2 2 293.371 -0.126 20 0 CBADLP COc1ncccc1CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000563545728 328072815 /nfs/dbraw/zinc/07/28/15/328072815.db2.gz XMBBQWNRMWWYTO-GFCCVEGCSA-N 2 2 293.371 -0.126 20 0 CBADLP C[C@H](C(=O)NC[C@H]1C[N@H+](C)CCO1)[NH+]1CC(C)C1 ZINC000571102055 328086616 /nfs/dbraw/zinc/08/66/16/328086616.db2.gz DOOJCBPYFSROFN-NEPJUHHUSA-N 2 2 255.362 -0.227 20 0 CBADLP C[C@H](C(=O)NC[C@H]1C[N@@H+](C)CCO1)[NH+]1CC(C)C1 ZINC000571102055 328086617 /nfs/dbraw/zinc/08/66/17/328086617.db2.gz DOOJCBPYFSROFN-NEPJUHHUSA-N 2 2 255.362 -0.227 20 0 CBADLP COC(=O)C[C@H]1C(=O)NCC[N@H+]1CCCc1c[nH+]cn1C ZINC000571104834 328086002 /nfs/dbraw/zinc/08/60/02/328086002.db2.gz UWNAGANGUIBBNU-LBPRGKRZSA-N 2 2 294.355 -0.284 20 0 CBADLP COC(=O)C[C@H]1C(=O)NCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000571104834 328086004 /nfs/dbraw/zinc/08/60/04/328086004.db2.gz UWNAGANGUIBBNU-LBPRGKRZSA-N 2 2 294.355 -0.284 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000571288206 328098491 /nfs/dbraw/zinc/09/84/91/328098491.db2.gz SLVFNZVTFDIJHH-DGCLKSJQSA-N 2 2 255.362 -0.035 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000571288206 328098492 /nfs/dbraw/zinc/09/84/92/328098492.db2.gz SLVFNZVTFDIJHH-DGCLKSJQSA-N 2 2 255.362 -0.035 20 0 CBADLP C[C@@H]1CCCCN1C(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000571344568 328113569 /nfs/dbraw/zinc/11/35/69/328113569.db2.gz ULZLAGMCEPTCGS-JHJVBQTASA-N 2 2 294.399 -0.369 20 0 CBADLP C[C@@H]1CCCCN1C(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000571344568 328113570 /nfs/dbraw/zinc/11/35/70/328113570.db2.gz ULZLAGMCEPTCGS-JHJVBQTASA-N 2 2 294.399 -0.369 20 0 CBADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1nc(N)nc(N(C)C)n1 ZINC000216142690 328113960 /nfs/dbraw/zinc/11/39/60/328113960.db2.gz UAWMJYKDAHPTOQ-BDAKNGLRSA-N 2 2 265.365 -0.311 20 0 CBADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1nc(N)nc(N(C)C)n1 ZINC000216142690 328113961 /nfs/dbraw/zinc/11/39/61/328113961.db2.gz UAWMJYKDAHPTOQ-BDAKNGLRSA-N 2 2 265.365 -0.311 20 0 CBADLP C[C@@H](CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])[NH+](C)C1CC1 ZINC000584340475 328127861 /nfs/dbraw/zinc/12/78/61/328127861.db2.gz GEGHIJVUTWKNLL-WCQYABFASA-N 3 2 283.420 -0.247 20 0 CBADLP C[C@@H](CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])[NH+](C)C1CC1 ZINC000584340475 328127863 /nfs/dbraw/zinc/12/78/63/328127863.db2.gz GEGHIJVUTWKNLL-WCQYABFASA-N 3 2 283.420 -0.247 20 0 CBADLP C[C@@H](CNC(=O)N1CC[NH+](C)C[C@H]1C[NH3+])[N@H+](C)C1CC1 ZINC000584340475 328127864 /nfs/dbraw/zinc/12/78/64/328127864.db2.gz GEGHIJVUTWKNLL-WCQYABFASA-N 3 2 283.420 -0.247 20 0 CBADLP C[C@@H](CNC(=O)N1CC[NH+](C)C[C@H]1C[NH3+])[N@@H+](C)C1CC1 ZINC000584340475 328127866 /nfs/dbraw/zinc/12/78/66/328127866.db2.gz GEGHIJVUTWKNLL-WCQYABFASA-N 3 2 283.420 -0.247 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+](CCO)C1CCOCC1 ZINC000571533372 328132306 /nfs/dbraw/zinc/13/23/06/328132306.db2.gz PETDVENLEDWUSV-AWEZNQCLSA-N 2 2 290.404 -0.601 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+](CCO)C1CCOCC1 ZINC000571533372 328132308 /nfs/dbraw/zinc/13/23/08/328132308.db2.gz PETDVENLEDWUSV-AWEZNQCLSA-N 2 2 290.404 -0.601 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+](CCO)C1CCOCC1 ZINC000571533372 328132310 /nfs/dbraw/zinc/13/23/10/328132310.db2.gz PETDVENLEDWUSV-AWEZNQCLSA-N 2 2 290.404 -0.601 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+](CCO)C1CCOCC1 ZINC000571533372 328132311 /nfs/dbraw/zinc/13/23/11/328132311.db2.gz PETDVENLEDWUSV-AWEZNQCLSA-N 2 2 290.404 -0.601 20 0 CBADLP O[C@H](CN1CCOCC1)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000571533545 328132483 /nfs/dbraw/zinc/13/24/83/328132483.db2.gz UJBHRTZBJGKNQN-ZDUSSCGKSA-N 2 2 295.387 -0.775 20 0 CBADLP O[C@@H](CN1CCN(c2[nH]cc[nH+]2)CC1)C[NH+]1CCOCC1 ZINC000571533545 328132485 /nfs/dbraw/zinc/13/24/85/328132485.db2.gz UJBHRTZBJGKNQN-ZDUSSCGKSA-N 2 2 295.387 -0.775 20 0 CBADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](CC(=O)NC3CCCC3)CCN2C1=O ZINC000572857083 328138440 /nfs/dbraw/zinc/13/84/40/328138440.db2.gz MZDIEVDARWKGGB-VXGBXAGGSA-N 2 2 280.372 -0.711 20 0 CBADLP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]([NH3+])c2cscn2)CCO1 ZINC000582724416 329130727 /nfs/dbraw/zinc/13/07/27/329130727.db2.gz SSXFZNYZRXVZPQ-KOLCDFICSA-N 2 2 284.385 -0.068 20 0 CBADLP C[NH+](C[C@H](O)C[N@H+]1CCC[C@@]12CCNC2=O)C1CC1 ZINC000576289773 335184244 /nfs/dbraw/zinc/18/42/44/335184244.db2.gz PHBYVFBAWSDSNA-JSGCOSHPSA-N 2 2 267.373 -0.204 20 0 CBADLP C[NH2+][C@H]1CCCN(C(=O)[C@H](C)[NH+]2CCN(C)CC2)C1 ZINC000569003740 327028545 /nfs/dbraw/zinc/02/85/45/327028545.db2.gz RATVOCOMHRFZIL-STQMWFEESA-N 2 2 268.405 -0.167 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1C(=O)NCC[C@@H]1C ZINC000584180324 327060645 /nfs/dbraw/zinc/06/06/45/327060645.db2.gz JFTAGMWGRGRZKW-TUAOUCFPSA-N 2 2 273.377 -0.960 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1C(=O)NCC[C@@H]1C ZINC000584180324 327060647 /nfs/dbraw/zinc/06/06/47/327060647.db2.gz JFTAGMWGRGRZKW-TUAOUCFPSA-N 2 2 273.377 -0.960 20 0 CBADLP [NH3+]CC(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000558148419 327076052 /nfs/dbraw/zinc/07/60/52/327076052.db2.gz PXDUMSFBLPGUBG-UHFFFAOYSA-N 2 2 262.357 -0.117 20 0 CBADLP C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ncn(C)n1 ZINC000558742998 327118922 /nfs/dbraw/zinc/11/89/22/327118922.db2.gz RJQHEQBTGUMMAB-LLVKDONJSA-N 2 2 280.376 -0.370 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000566068090 327124876 /nfs/dbraw/zinc/12/48/76/327124876.db2.gz RAVQENQEHOWIES-RYUDHWBXSA-N 2 2 284.404 -0.314 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000566068090 327124879 /nfs/dbraw/zinc/12/48/79/327124879.db2.gz RAVQENQEHOWIES-RYUDHWBXSA-N 2 2 284.404 -0.314 20 0 CBADLP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)Cn1cc[nH+]c1 ZINC000564642189 327131004 /nfs/dbraw/zinc/13/10/04/327131004.db2.gz HUEIWZBZJWEZEH-LLVKDONJSA-N 2 2 279.344 -0.661 20 0 CBADLP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)Cn1cc[nH+]c1 ZINC000564642189 327131006 /nfs/dbraw/zinc/13/10/06/327131006.db2.gz HUEIWZBZJWEZEH-LLVKDONJSA-N 2 2 279.344 -0.661 20 0 CBADLP O=C(C[NH+]1CCN(c2[nH]cc[nH+]2)CC1)N1CCOCC1 ZINC000569420845 327174703 /nfs/dbraw/zinc/17/47/03/327174703.db2.gz XMNJKOUFGDNPPJ-UHFFFAOYSA-N 2 2 279.344 -0.610 20 0 CBADLP C[N@@H+]1CCN(C(=O)N[C@H]2CCCOC2)[C@@H](C[NH3+])C1 ZINC000569440718 327177219 /nfs/dbraw/zinc/17/72/19/327177219.db2.gz FZASVHPKTDDCNU-QWRGUYRKSA-N 2 2 256.350 -0.550 20 0 CBADLP C[N@H+]1CCN(C(=O)N[C@H]2CCCOC2)[C@@H](C[NH3+])C1 ZINC000569440718 327177220 /nfs/dbraw/zinc/17/72/20/327177220.db2.gz FZASVHPKTDDCNU-QWRGUYRKSA-N 2 2 256.350 -0.550 20 0 CBADLP COc1ccnc(CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])n1 ZINC000569448674 327178867 /nfs/dbraw/zinc/17/88/67/327178867.db2.gz GPSHUTRVECZDRI-JTQLQIEISA-N 2 2 294.359 -0.731 20 0 CBADLP COc1ccnc(CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])n1 ZINC000569448674 327178868 /nfs/dbraw/zinc/17/88/68/327178868.db2.gz GPSHUTRVECZDRI-JTQLQIEISA-N 2 2 294.359 -0.731 20 0 CBADLP C[N@@H+]1CCN(C(=O)COC[C@H]2CCOC2)[C@H](C[NH3+])C1 ZINC000569454272 327179501 /nfs/dbraw/zinc/17/95/01/327179501.db2.gz BCZZOQFVFVOSHL-NWDGAFQWSA-N 2 2 271.361 -0.859 20 0 CBADLP C[N@H+]1CCN(C(=O)COC[C@H]2CCOC2)[C@H](C[NH3+])C1 ZINC000569454272 327179503 /nfs/dbraw/zinc/17/95/03/327179503.db2.gz BCZZOQFVFVOSHL-NWDGAFQWSA-N 2 2 271.361 -0.859 20 0 CBADLP C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000569461156 327180984 /nfs/dbraw/zinc/18/09/84/327180984.db2.gz TXDYQNKXYDUOQT-FZMZJTMJSA-N 2 2 278.356 -0.372 20 0 CBADLP C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000569461156 327180986 /nfs/dbraw/zinc/18/09/86/327180986.db2.gz TXDYQNKXYDUOQT-FZMZJTMJSA-N 2 2 278.356 -0.372 20 0 CBADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)Cn2cc[nH+]c2)[C@@H](C)C1 ZINC000569522776 327191451 /nfs/dbraw/zinc/19/14/51/327191451.db2.gz CVAHVRJZQGEXRG-NWDGAFQWSA-N 2 2 266.345 -0.203 20 0 CBADLP C[C@@H](O)C[N@H+]1CCN(C(=O)Cn2cc[nH+]c2)[C@@H](C)C1 ZINC000569522776 327191453 /nfs/dbraw/zinc/19/14/53/327191453.db2.gz CVAHVRJZQGEXRG-NWDGAFQWSA-N 2 2 266.345 -0.203 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N(C)CCC[NH3+] ZINC000569592526 327202121 /nfs/dbraw/zinc/20/21/21/327202121.db2.gz DRCMUVQCSWDHFI-LLVKDONJSA-N 2 2 258.366 -0.303 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N(C)CCC[NH3+] ZINC000569592526 327202122 /nfs/dbraw/zinc/20/21/22/327202122.db2.gz DRCMUVQCSWDHFI-LLVKDONJSA-N 2 2 258.366 -0.303 20 0 CBADLP COc1ccc(CC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])nc1 ZINC000578068543 327297921 /nfs/dbraw/zinc/29/79/21/327297921.db2.gz ITNPTNAHZMGYPB-GFCCVEGCSA-N 2 2 278.356 -0.266 20 0 CBADLP COc1ccc(CC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])nc1 ZINC000578068543 327297923 /nfs/dbraw/zinc/29/79/23/327297923.db2.gz ITNPTNAHZMGYPB-GFCCVEGCSA-N 2 2 278.356 -0.266 20 0 CBADLP CN(CCC[NH3+])C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000583392573 327340107 /nfs/dbraw/zinc/34/01/07/327340107.db2.gz KHRKCIDFAFJIFR-UHFFFAOYSA-N 2 2 270.377 -0.159 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000564997211 327352533 /nfs/dbraw/zinc/35/25/33/327352533.db2.gz LSEYZQUVZPBORE-AWEZNQCLSA-N 2 2 280.372 -0.980 20 0 CBADLP [NH3+]CCC1CCN(C(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000583448253 327372248 /nfs/dbraw/zinc/37/22/48/327372248.db2.gz PXJOYZJWKOZJSH-UHFFFAOYSA-N 2 2 268.361 -0.994 20 0 CBADLP CCCCCNC(=O)[C@H](C)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000566494592 327398829 /nfs/dbraw/zinc/39/88/29/327398829.db2.gz APPNRZPJZHJVKN-XQQFMLRXSA-N 2 2 296.415 -0.075 20 0 CBADLP CCCCCNC(=O)[C@H](C)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000566494592 327398831 /nfs/dbraw/zinc/39/88/31/327398831.db2.gz APPNRZPJZHJVKN-XQQFMLRXSA-N 2 2 296.415 -0.075 20 0 CBADLP [NH3+]C[C@@H](NC(=O)NCC1([NH+]2CCOCC2)CC1)C1CC1 ZINC000562813566 327516179 /nfs/dbraw/zinc/51/61/79/327516179.db2.gz DULBIEVPGNVJSM-GFCCVEGCSA-N 2 2 282.388 -0.112 20 0 CBADLP C[NH2+]C[C@](C)(O)CN1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000569935075 327556460 /nfs/dbraw/zinc/55/64/60/327556460.db2.gz YRKDLFKYAUTLLH-AWEZNQCLSA-N 2 2 279.388 -0.123 20 0 CBADLP COC[C@H](CO)[NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000570279451 327580667 /nfs/dbraw/zinc/58/06/67/327580667.db2.gz GCHDBQBQQUYPPJ-CYDGBPFRSA-N 2 2 276.377 -0.947 20 0 CBADLP C[NH2+]C[C@](C)(O)C[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000583636127 328724076 /nfs/dbraw/zinc/72/40/76/328724076.db2.gz JUZSNBFYIQKGQO-LBPRGKRZSA-N 2 2 269.349 -0.340 20 0 CBADLP COC(=O)CN(CC[NH+]1CCOCC1)C(=O)CCC[NH3+] ZINC000582419000 328985188 /nfs/dbraw/zinc/98/51/88/328985188.db2.gz CCEDZDUOAJASJO-UHFFFAOYSA-N 2 2 287.360 -0.941 20 0 CBADLP C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC000582480664 329095393 /nfs/dbraw/zinc/09/53/93/329095393.db2.gz IIHVUDUBTXBFGR-LBPRGKRZSA-N 2 2 294.399 -0.497 20 0 CBADLP CN1CC[NH2+]C[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC000394082321 329098645 /nfs/dbraw/zinc/09/86/45/329098645.db2.gz LPUQJZRILOAVKN-NSHDSACASA-N 2 2 251.334 -0.707 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)C[C@@H]1CCOC1 ZINC000394134368 329106956 /nfs/dbraw/zinc/10/69/56/329106956.db2.gz OXDCTHKWGPHAIH-STQMWFEESA-N 2 2 260.378 -0.106 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)C[C@@H]1CCOC1 ZINC000394134368 329106957 /nfs/dbraw/zinc/10/69/57/329106957.db2.gz OXDCTHKWGPHAIH-STQMWFEESA-N 2 2 260.378 -0.106 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)C[C@@H]1CCOC1 ZINC000394134368 329106954 /nfs/dbraw/zinc/10/69/54/329106954.db2.gz OXDCTHKWGPHAIH-STQMWFEESA-N 2 2 260.378 -0.106 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)C[C@@H]1CCOC1 ZINC000394134368 329106955 /nfs/dbraw/zinc/10/69/55/329106955.db2.gz OXDCTHKWGPHAIH-STQMWFEESA-N 2 2 260.378 -0.106 20 0 CBADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@@H]2CC[C@H]2O)C[C@@H](C)O1 ZINC000582786286 329196642 /nfs/dbraw/zinc/19/66/42/329196642.db2.gz YCGOZSSZBRXXOK-SYLRKERUSA-N 2 2 258.362 -0.431 20 0 CBADLP C[C@@H]1CCCN(CC[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)C1 ZINC000582840382 329276745 /nfs/dbraw/zinc/27/67/45/329276745.db2.gz ULDXTQNXLGCBPP-HZPDHXFCSA-N 2 2 298.475 -0.084 20 0 CBADLP C[C@@H]1CCC[N@H+](CCNC[C@@H](O)C[NH+]2CCN(C)CC2)C1 ZINC000582840382 329276746 /nfs/dbraw/zinc/27/67/46/329276746.db2.gz ULDXTQNXLGCBPP-HZPDHXFCSA-N 2 2 298.475 -0.084 20 0 CBADLP C[C@@H]1CCC[N@@H+](CCNC[C@@H](O)C[NH+]2CCN(C)CC2)C1 ZINC000582840382 329276748 /nfs/dbraw/zinc/27/67/48/329276748.db2.gz ULDXTQNXLGCBPP-HZPDHXFCSA-N 2 2 298.475 -0.084 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](O)[C@H]1C ZINC000395193806 329279205 /nfs/dbraw/zinc/27/92/05/329279205.db2.gz XKOZCKUIICTLHY-FRRDWIJNSA-N 2 2 260.378 -0.229 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](O)[C@H]1C ZINC000395193806 329279206 /nfs/dbraw/zinc/27/92/06/329279206.db2.gz XKOZCKUIICTLHY-FRRDWIJNSA-N 2 2 260.378 -0.229 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](O)[C@H]1C ZINC000395193806 329279207 /nfs/dbraw/zinc/27/92/07/329279207.db2.gz XKOZCKUIICTLHY-FRRDWIJNSA-N 2 2 260.378 -0.229 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](O)[C@H]1C ZINC000395193806 329279208 /nfs/dbraw/zinc/27/92/08/329279208.db2.gz XKOZCKUIICTLHY-FRRDWIJNSA-N 2 2 260.378 -0.229 20 0 CBADLP Cc1csc(=O)n1CC[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000582856410 329281389 /nfs/dbraw/zinc/28/13/89/329281389.db2.gz ADQDOJIHARYNEI-QWRGUYRKSA-N 2 2 296.396 -0.538 20 0 CBADLP Cc1csc(=O)n1CC[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000582856410 329281390 /nfs/dbraw/zinc/28/13/90/329281390.db2.gz ADQDOJIHARYNEI-QWRGUYRKSA-N 2 2 296.396 -0.538 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](n2ccnn2)C1 ZINC000582973438 329296854 /nfs/dbraw/zinc/29/68/54/329296854.db2.gz ZBJSGDNCNJSMGM-ZIAGYGMSSA-N 2 2 297.403 -0.146 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](n2ccnn2)C1 ZINC000582973438 329296855 /nfs/dbraw/zinc/29/68/55/329296855.db2.gz ZBJSGDNCNJSMGM-ZIAGYGMSSA-N 2 2 297.403 -0.146 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000582973438 329296856 /nfs/dbraw/zinc/29/68/56/329296856.db2.gz ZBJSGDNCNJSMGM-ZIAGYGMSSA-N 2 2 297.403 -0.146 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000582973438 329296857 /nfs/dbraw/zinc/29/68/57/329296857.db2.gz ZBJSGDNCNJSMGM-ZIAGYGMSSA-N 2 2 297.403 -0.146 20 0 CBADLP c1c[nH+]c(N2CC[NH+](CCN3CCOCC3)CC2)[nH]1 ZINC000583092244 329314454 /nfs/dbraw/zinc/31/44/54/329314454.db2.gz JUARIADFNXSBRU-UHFFFAOYSA-N 2 2 265.361 -0.136 20 0 CBADLP c1c[nH+]c(N2CCN(CC[NH+]3CCOCC3)CC2)[nH]1 ZINC000583092244 329314455 /nfs/dbraw/zinc/31/44/55/329314455.db2.gz JUARIADFNXSBRU-UHFFFAOYSA-N 2 2 265.361 -0.136 20 0 CBADLP CC(C)N(C(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)C(C)C ZINC000572424303 330067688 /nfs/dbraw/zinc/06/76/88/330067688.db2.gz CYYTUTVLHQVUGG-QWHCGFSZSA-N 2 2 296.415 -0.124 20 0 CBADLP CC(C)N(C(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)C(C)C ZINC000572424303 330067690 /nfs/dbraw/zinc/06/76/90/330067690.db2.gz CYYTUTVLHQVUGG-QWHCGFSZSA-N 2 2 296.415 -0.124 20 0 CBADLP C[N@@H+]1CCN(C(=O)COC[C@@H]2CCOC2)[C@H](C[NH3+])C1 ZINC000162696045 330108510 /nfs/dbraw/zinc/10/85/10/330108510.db2.gz BCZZOQFVFVOSHL-VXGBXAGGSA-N 2 2 271.361 -0.859 20 0 CBADLP C[N@H+]1CCN(C(=O)COC[C@@H]2CCOC2)[C@H](C[NH3+])C1 ZINC000162696045 330108511 /nfs/dbraw/zinc/10/85/11/330108511.db2.gz BCZZOQFVFVOSHL-VXGBXAGGSA-N 2 2 271.361 -0.859 20 0 CBADLP C[N@@H+]1CCN(C(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)[C@@H](C[NH3+])C1 ZINC000574987895 330117237 /nfs/dbraw/zinc/11/72/37/330117237.db2.gz ZLMHFDGRNWBKBL-NEPJUHHUSA-N 2 2 296.415 -0.265 20 0 CBADLP C[N@H+]1CCN(C(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)[C@@H](C[NH3+])C1 ZINC000574987895 330117238 /nfs/dbraw/zinc/11/72/38/330117238.db2.gz ZLMHFDGRNWBKBL-NEPJUHHUSA-N 2 2 296.415 -0.265 20 0 CBADLP C[N@@H+]1CCO[C@@H](CNC(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000332971043 330128231 /nfs/dbraw/zinc/12/82/31/330128231.db2.gz AIMREAXVBBNWFD-RYUDHWBXSA-N 2 2 293.371 -0.172 20 0 CBADLP C[N@H+]1CCO[C@@H](CNC(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000332971043 330128232 /nfs/dbraw/zinc/12/82/32/330128232.db2.gz AIMREAXVBBNWFD-RYUDHWBXSA-N 2 2 293.371 -0.172 20 0 CBADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H]2CC[C@H]2C(N)=O)CC1 ZINC000575328101 335094517 /nfs/dbraw/zinc/09/45/17/335094517.db2.gz KVMHXQMNFRXPKT-CHWSQXEVSA-N 2 2 296.415 -0.360 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)CC[NH2+]C2CC2)CCO1 ZINC000575329472 335094789 /nfs/dbraw/zinc/09/47/89/335094789.db2.gz INDUXCKWLYUQCZ-LLVKDONJSA-N 2 2 255.362 -0.035 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)CC[NH2+]C2CC2)CCO1 ZINC000575329472 335094790 /nfs/dbraw/zinc/09/47/90/335094790.db2.gz INDUXCKWLYUQCZ-LLVKDONJSA-N 2 2 255.362 -0.035 20 0 CBADLP C[N@@H+]1CCN(C(=O)CCOCC2CC2)[C@H](C[NH3+])C1 ZINC000575399736 335100611 /nfs/dbraw/zinc/10/06/11/335100611.db2.gz SVAUOUYCSBHGTA-GFCCVEGCSA-N 2 2 255.362 -0.096 20 0 CBADLP C[N@H+]1CCN(C(=O)CCOCC2CC2)[C@H](C[NH3+])C1 ZINC000575399736 335100612 /nfs/dbraw/zinc/10/06/12/335100612.db2.gz SVAUOUYCSBHGTA-GFCCVEGCSA-N 2 2 255.362 -0.096 20 0 CBADLP CC[N@H+](C)C[C@H](O)CN(C)CC[NH+]1CCOCC1 ZINC000575739662 335110453 /nfs/dbraw/zinc/11/04/53/335110453.db2.gz NXOSOTRECOUZHZ-ZDUSSCGKSA-N 2 2 259.394 -0.437 20 0 CBADLP CC[N@@H+](C)C[C@H](O)CN(C)CC[NH+]1CCOCC1 ZINC000575739662 335110454 /nfs/dbraw/zinc/11/04/54/335110454.db2.gz NXOSOTRECOUZHZ-ZDUSSCGKSA-N 2 2 259.394 -0.437 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+](C)CCN1CCOCC1 ZINC000575739662 335110455 /nfs/dbraw/zinc/11/04/55/335110455.db2.gz NXOSOTRECOUZHZ-ZDUSSCGKSA-N 2 2 259.394 -0.437 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)CCN1CCOCC1 ZINC000575739662 335110456 /nfs/dbraw/zinc/11/04/56/335110456.db2.gz NXOSOTRECOUZHZ-ZDUSSCGKSA-N 2 2 259.394 -0.437 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@H+](C)CCN1CCOCC1 ZINC000575739662 335110457 /nfs/dbraw/zinc/11/04/57/335110457.db2.gz NXOSOTRECOUZHZ-ZDUSSCGKSA-N 2 2 259.394 -0.437 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)CCN1CCOCC1 ZINC000575739662 335110458 /nfs/dbraw/zinc/11/04/58/335110458.db2.gz NXOSOTRECOUZHZ-ZDUSSCGKSA-N 2 2 259.394 -0.437 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CCCC[NH2+]2)CCO1 ZINC000576043201 335144940 /nfs/dbraw/zinc/14/49/40/335144940.db2.gz GWBJFNXDFBYPOS-NEPJUHHUSA-N 2 2 255.362 -0.035 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2CCCC[NH2+]2)CCO1 ZINC000576043201 335144941 /nfs/dbraw/zinc/14/49/41/335144941.db2.gz GWBJFNXDFBYPOS-NEPJUHHUSA-N 2 2 255.362 -0.035 20 0 CBADLP COc1ccncc1C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000564859244 334524387 /nfs/dbraw/zinc/52/43/87/334524387.db2.gz PGPGKDBQWFMTPH-CQSZACIVSA-N 2 2 294.399 -0.212 20 0 CBADLP C[C@@H](NC(=O)C[NH+]1CC(C)(C)C1)C(=O)NCC[NH+](C)C ZINC000565205301 334544819 /nfs/dbraw/zinc/54/48/19/334544819.db2.gz PIBUQZCQONJGPG-LLVKDONJSA-N 2 2 284.404 -0.489 20 0 CBADLP O=C(NC[C@H]1C[NH+]2CCN1CC2)[C@@H]1CCc2c[nH+]cn2C1 ZINC000565661686 334585752 /nfs/dbraw/zinc/58/57/52/334585752.db2.gz SZVKSQJZYXCAHS-OCCSQVGLSA-N 2 2 289.383 -0.439 20 0 CBADLP C[NH2+][C@H](C)C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000566019437 334616847 /nfs/dbraw/zinc/61/68/47/334616847.db2.gz IFCOQTCNSVCJBP-SNVBAGLBSA-N 2 2 251.334 -0.338 20 0 CBADLP [NH3+][C@@H](C(=O)NCCN1CC[NH2+]CC1)c1c(F)cccc1F ZINC000566203794 334635386 /nfs/dbraw/zinc/63/53/86/334635386.db2.gz ANTGYIQHOROEAL-CYBMUJFWSA-N 2 2 298.337 -0.014 20 0 CBADLP C[NH2+]CCN(C)C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000566505762 334653245 /nfs/dbraw/zinc/65/32/45/334653245.db2.gz QUNPYAAOCQVRER-UHFFFAOYSA-N 2 2 275.312 -0.049 20 0 CBADLP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N(C)Cc1[nH+]ccn1C ZINC000157847335 334785995 /nfs/dbraw/zinc/78/59/95/334785995.db2.gz VWDYNUJILISLMK-LBPRGKRZSA-N 2 2 281.360 -0.522 20 0 CBADLP Cn1c[nH+]cc1CCC[NH+]1CCN(C(=O)CO)CC1 ZINC000568167608 334799180 /nfs/dbraw/zinc/79/91/80/334799180.db2.gz JPUDIYMBAXDKLZ-UHFFFAOYSA-N 2 2 266.345 -0.511 20 0 CBADLP O=C(C[NH+]1CCN(c2[nH]cc[nH+]2)CC1)N1CCNC1=O ZINC000568167832 334799318 /nfs/dbraw/zinc/79/93/18/334799318.db2.gz OWYPDINIQVDYIO-UHFFFAOYSA-N 2 2 278.316 -0.917 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000569106775 334855616 /nfs/dbraw/zinc/85/56/16/334855616.db2.gz GLWIRDWIXUZBFJ-WZRBSPASSA-N 2 2 253.346 -0.425 20 0 CBADLP COCCNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000175504224 335187059 /nfs/dbraw/zinc/18/70/59/335187059.db2.gz WJCAKBUOWWHOPY-UHFFFAOYSA-N 2 2 272.393 -0.042 20 0 CBADLP C[C@@H](C[NH+](C)C)NC[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000576459638 335206150 /nfs/dbraw/zinc/20/61/50/335206150.db2.gz IVIIIDUQQHUVCC-DGAVXFQQSA-N 2 2 273.421 -0.004 20 0 CBADLP C[NH+](C)CC(=O)N1CC[NH+](CC[C@H]2CCNC2=O)CC1 ZINC000576596013 335224309 /nfs/dbraw/zinc/22/43/09/335224309.db2.gz RNGAMQMMLXOOTO-GFCCVEGCSA-N 2 2 282.388 -0.782 20 0 CBADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)C[NH2+]C2CC2)CC1 ZINC000576607497 335226098 /nfs/dbraw/zinc/22/60/98/335226098.db2.gz AHECUKFKYFVVQQ-LLVKDONJSA-N 2 2 294.399 -0.450 20 0 CBADLP CC(C)OCC[C@@H](O)C[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000576629735 335227797 /nfs/dbraw/zinc/22/77/97/335227797.db2.gz DSPCDUUXDRIQFZ-UONOGXRCSA-N 2 2 273.421 -0.002 20 0 CBADLP CC(C)OCC[C@@H](O)C[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000576629735 335227799 /nfs/dbraw/zinc/22/77/99/335227799.db2.gz DSPCDUUXDRIQFZ-UONOGXRCSA-N 2 2 273.421 -0.002 20 0 CBADLP CCOCCOCC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000576701939 335236866 /nfs/dbraw/zinc/23/68/66/335236866.db2.gz HHEMNQMZFXVNKO-NSHDSACASA-N 2 2 259.350 -0.859 20 0 CBADLP CCOCCOCC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000576701939 335236867 /nfs/dbraw/zinc/23/68/67/335236867.db2.gz HHEMNQMZFXVNKO-NSHDSACASA-N 2 2 259.350 -0.859 20 0 CBADLP C[C@@H](C[NH3+])CNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000576718538 335239895 /nfs/dbraw/zinc/23/98/95/335239895.db2.gz DAFFFFWMLQDFCV-VIFPVBQESA-N 2 2 275.312 -0.016 20 0 CBADLP CCCN(CC[NH+](C)C)C(=O)CN1CC[NH2+]CC1=O ZINC000576827053 335252936 /nfs/dbraw/zinc/25/29/36/335252936.db2.gz ZAXOPOTZKRAGFR-UHFFFAOYSA-N 2 2 270.377 -0.782 20 0 CBADLP C[C@H]1C[C@@H](NC(=O)CN2CC[NH2+]CC2=O)CC[N@H+]1C ZINC000580560469 335280930 /nfs/dbraw/zinc/28/09/30/335280930.db2.gz HIYIAFSDOMRKRS-QWRGUYRKSA-N 2 2 268.361 -0.983 20 0 CBADLP C[C@H]1C[C@@H](C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])CC[NH2+]1 ZINC000580561844 335281833 /nfs/dbraw/zinc/28/18/33/335281833.db2.gz ZSPVVPKYYAQMDM-SRVKXCTJSA-N 3 2 254.378 -0.524 20 0 CBADLP C[C@H]1C[C@@H](C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])CC[NH2+]1 ZINC000580561844 335281834 /nfs/dbraw/zinc/28/18/34/335281834.db2.gz ZSPVVPKYYAQMDM-SRVKXCTJSA-N 3 2 254.378 -0.524 20 0 CBADLP COC[C@]1(C(=O)NCc2[nH]c[nH+]c2C)CC[NH2+]C1 ZINC000379978632 335285627 /nfs/dbraw/zinc/28/56/27/335285627.db2.gz VBHMROKJAWSFFU-LBPRGKRZSA-N 2 2 252.318 -0.040 20 0 CBADLP C[C@H]1CN(C(=O)[C@]23C[C@H]2CC[NH2+]3)C[C@@H]1[NH+]1CCOCC1 ZINC000577066106 335294443 /nfs/dbraw/zinc/29/44/43/335294443.db2.gz JKKGUEAJZMBQEP-XFMPKHEZSA-N 2 2 279.384 -0.083 20 0 CBADLP C[N@H+](C[C@H](O)C[NH2+]CC1([S@](C)=O)CC1)C1CC1 ZINC000380248372 335298982 /nfs/dbraw/zinc/29/89/82/335298982.db2.gz JPDPHBHBRAXGRM-DIFFPNOSSA-N 2 2 260.403 -0.058 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH2+]CC1([S@](C)=O)CC1)C1CC1 ZINC000380248372 335298983 /nfs/dbraw/zinc/29/89/83/335298983.db2.gz JPDPHBHBRAXGRM-DIFFPNOSSA-N 2 2 260.403 -0.058 20 0 CBADLP CC(C)[C@H](NC(=O)CN1CC[NH2+]CC1=O)c1[nH]cc[nH+]1 ZINC000580643772 335310343 /nfs/dbraw/zinc/31/03/43/335310343.db2.gz FUVVZCOBWOJAMZ-LBPRGKRZSA-N 2 2 279.344 -0.345 20 0 CBADLP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NCCCCn1cc[nH+]c1 ZINC000577175416 335316014 /nfs/dbraw/zinc/31/60/14/335316014.db2.gz WQWMRBBEZPYAKN-GFCCVEGCSA-N 2 2 293.371 -0.352 20 0 CBADLP COC(=O)C[C@H]([NH3+])C(=O)NCc1ccc[nH+]c1N(C)C ZINC000577219262 335325048 /nfs/dbraw/zinc/32/50/48/335325048.db2.gz YPZSVGZZCLRXPX-JTQLQIEISA-N 2 2 280.328 -0.346 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000577395571 335347910 /nfs/dbraw/zinc/34/79/10/335347910.db2.gz RBUURNWRFGJFGT-OLZOCXBDSA-N 2 2 298.431 -0.114 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000577395571 335347912 /nfs/dbraw/zinc/34/79/12/335347912.db2.gz RBUURNWRFGJFGT-OLZOCXBDSA-N 2 2 298.431 -0.114 20 0 CBADLP C[N@H+](C[C@H](O)C[NH2+][C@@H]1C[C@H](O)[C@@H]1n1cccn1)C1CC1 ZINC000577729842 335393330 /nfs/dbraw/zinc/39/33/30/335393330.db2.gz DBJOTZTYGULQAT-YIYPIFLZSA-N 2 2 280.372 -0.398 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1C[C@H](O)[C@@H]1n1cccn1)C1CC1 ZINC000577729842 335393331 /nfs/dbraw/zinc/39/33/31/335393331.db2.gz DBJOTZTYGULQAT-YIYPIFLZSA-N 2 2 280.372 -0.398 20 0 CBADLP Cn1[nH]c(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)nc1=O ZINC000577731021 335393683 /nfs/dbraw/zinc/39/36/83/335393683.db2.gz TYZWTIFJTIRWBC-AEJSXWLSSA-N 2 2 251.334 -0.332 20 0 CBADLP Cn1[nH]c(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)nc1=O ZINC000577731021 335393684 /nfs/dbraw/zinc/39/36/84/335393684.db2.gz TYZWTIFJTIRWBC-AEJSXWLSSA-N 2 2 251.334 -0.332 20 0 CBADLP O=C(CCn1cc[nH+]c1)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000578679495 335663119 /nfs/dbraw/zinc/66/31/19/335663119.db2.gz FUWFBVOPYBRLDW-CQSZACIVSA-N 2 2 278.356 -0.154 20 0 CBADLP C[C@H](CC(=O)NCCN1CC[NH2+]CC1)n1cc[nH+]c1 ZINC000578782126 335674476 /nfs/dbraw/zinc/67/44/76/335674476.db2.gz IFUKZQIZZCXGTR-GFCCVEGCSA-N 2 2 265.361 -0.144 20 0 CBADLP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN2CC[NH2+]CC2=O)C1 ZINC000581132444 336013074 /nfs/dbraw/zinc/01/30/74/336013074.db2.gz RVCSUUBGXWCTFI-QWHCGFSZSA-N 2 2 294.399 -0.639 20 0 CBADLP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN2CC[NH2+]CC2=O)C1 ZINC000581132444 336013076 /nfs/dbraw/zinc/01/30/76/336013076.db2.gz RVCSUUBGXWCTFI-QWHCGFSZSA-N 2 2 294.399 -0.639 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)C[NH2+]C[C@H]2CCCO2)CCO1 ZINC000581134534 336013591 /nfs/dbraw/zinc/01/35/91/336013591.db2.gz YFABREVRNDNAFC-CHWSQXEVSA-N 2 2 285.388 -0.408 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)C[NH2+]C[C@H]2CCCO2)CCO1 ZINC000581134534 336013592 /nfs/dbraw/zinc/01/35/92/336013592.db2.gz YFABREVRNDNAFC-CHWSQXEVSA-N 2 2 285.388 -0.408 20 0 CBADLP COC[C@@]1(C(=O)N[C@@H](C)C[NH+]2CCOCC2)CC[NH2+]C1 ZINC000381170426 336053484 /nfs/dbraw/zinc/05/34/84/336053484.db2.gz OCHKMHYSDYFDFX-GXTWGEPZSA-N 2 2 285.388 -0.551 20 0 CBADLP C[C@H](CC(=O)NC[C@H]1C[NH2+]CCN1C)n1cc[nH+]c1 ZINC000581376806 336064715 /nfs/dbraw/zinc/06/47/15/336064715.db2.gz FPDMXKFBYNXQTP-VXGBXAGGSA-N 2 2 265.361 -0.146 20 0 CBADLP C[NH2+]CCC(=O)NC[C@H]1CCC[N@H+](CC(=O)OC)C1 ZINC000581487311 336087750 /nfs/dbraw/zinc/08/77/50/336087750.db2.gz GFKOGACNKQWTOC-LLVKDONJSA-N 2 2 271.361 -0.403 20 0 CBADLP C[NH2+]CCC(=O)NC[C@H]1CCC[N@@H+](CC(=O)OC)C1 ZINC000581487311 336087751 /nfs/dbraw/zinc/08/77/51/336087751.db2.gz GFKOGACNKQWTOC-LLVKDONJSA-N 2 2 271.361 -0.403 20 0 CBADLP COCC[N@H+](C)C[C@H](O)CN(C)Cc1[nH+]ccn1C ZINC000382441462 336089754 /nfs/dbraw/zinc/08/97/54/336089754.db2.gz PXQLJSCLFBTHKV-LBPRGKRZSA-N 2 2 270.377 -0.209 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)CN(C)Cc1[nH+]ccn1C ZINC000382441462 336089756 /nfs/dbraw/zinc/08/97/56/336089756.db2.gz PXQLJSCLFBTHKV-LBPRGKRZSA-N 2 2 270.377 -0.209 20 0 CBADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](C[C@@H]3CCC[NH2+]C3)CCN2C1=O ZINC000581499886 336090782 /nfs/dbraw/zinc/09/07/82/336090782.db2.gz VWJWBZFHNZQZFX-IJLUTSLNSA-N 3 2 252.362 -0.770 20 0 CBADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](C[C@@H]3CCC[NH2+]C3)CCN2C1=O ZINC000581499886 336090783 /nfs/dbraw/zinc/09/07/83/336090783.db2.gz VWJWBZFHNZQZFX-IJLUTSLNSA-N 3 2 252.362 -0.770 20 0 CBADLP C[NH+]1CCN(C(=O)CSC[C@H]2C[N@H+](C)CCO2)CC1 ZINC000581824060 336147652 /nfs/dbraw/zinc/14/76/52/336147652.db2.gz VGKWXESJLVDJBU-GFCCVEGCSA-N 2 2 287.429 -0.176 20 0 CBADLP C[NH+]1CCN(C(=O)CSC[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000581824060 336147654 /nfs/dbraw/zinc/14/76/54/336147654.db2.gz VGKWXESJLVDJBU-GFCCVEGCSA-N 2 2 287.429 -0.176 20 0 CBADLP CC[C@H]1[C@H](CO)CC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000385888305 336159408 /nfs/dbraw/zinc/15/94/08/336159408.db2.gz CQSCDIVKDDVJNE-STQMWFEESA-N 2 2 269.389 -0.147 20 0 CBADLP CC[C@H]1[C@H](CO)CC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000385888305 336159410 /nfs/dbraw/zinc/15/94/10/336159410.db2.gz CQSCDIVKDDVJNE-STQMWFEESA-N 2 2 269.389 -0.147 20 0 CBADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)CCCC[NH3+])CC1 ZINC000581886705 336160056 /nfs/dbraw/zinc/16/00/56/336160056.db2.gz PHLJXVNITALZFR-LBPRGKRZSA-N 2 2 296.415 -0.073 20 0 CBADLP COCCCNC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000386144368 336166860 /nfs/dbraw/zinc/16/68/60/336166860.db2.gz OBCXTYVARHJZNC-RYUDHWBXSA-N 2 2 255.362 -0.320 20 0 CBADLP COCCCNC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000386144368 336166862 /nfs/dbraw/zinc/16/68/62/336166862.db2.gz OBCXTYVARHJZNC-RYUDHWBXSA-N 2 2 255.362 -0.320 20 0 CBADLP COCCCNC(=O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000386852205 336180757 /nfs/dbraw/zinc/18/07/57/336180757.db2.gz SWKXUASDBYYJQQ-NWDGAFQWSA-N 2 2 255.362 -0.177 20 0 CBADLP COCCCNC(=O)C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000386852205 336180760 /nfs/dbraw/zinc/18/07/60/336180760.db2.gz SWKXUASDBYYJQQ-NWDGAFQWSA-N 2 2 255.362 -0.177 20 0 CBADLP COC(=O)[C@@H](C)C[N@@H+]1CCO[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000375699776 534212978 /nfs/dbraw/zinc/21/29/78/534212978.db2.gz XFNQELYRVDQFBA-KBPBESRZSA-N 2 2 299.415 -0.256 20 0 CBADLP COC(=O)[C@@H](C)C[N@H+]1CCO[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000375699776 534212981 /nfs/dbraw/zinc/21/29/81/534212981.db2.gz XFNQELYRVDQFBA-KBPBESRZSA-N 2 2 299.415 -0.256 20 0 CBADLP C[C@@H](NC(=O)Cn1cc[nH+]c1)C(=O)NCC[NH+](C)C ZINC000567122389 518177830 /nfs/dbraw/zinc/17/78/30/518177830.db2.gz FYZGIGIHSRAQHR-SNVBAGLBSA-N 2 2 267.333 -0.934 20 0 CBADLP C[N@H+](CCN1CCOCC1)CC(=O)N1CC[NH+](C)CC1 ZINC000157384261 522839491 /nfs/dbraw/zinc/83/94/91/522839491.db2.gz LHXYNWIHJICHQU-UHFFFAOYSA-N 2 2 284.404 -0.976 20 0 CBADLP C[N@@H+](CCN1CCOCC1)CC(=O)N1CC[NH+](C)CC1 ZINC000157384261 522839498 /nfs/dbraw/zinc/83/94/98/522839498.db2.gz LHXYNWIHJICHQU-UHFFFAOYSA-N 2 2 284.404 -0.976 20 0 CBADLP CO[C@@H](C[NH3+])CC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000262856080 523506376 /nfs/dbraw/zinc/50/63/76/523506376.db2.gz KQYRFOWAWXZKDM-LLVKDONJSA-N 2 2 273.377 -0.423 20 0 CBADLP CO[C@@H](C[NH3+])CC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000262856080 523506393 /nfs/dbraw/zinc/50/63/93/523506393.db2.gz KQYRFOWAWXZKDM-LLVKDONJSA-N 2 2 273.377 -0.423 20 0 CBADLP COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263183172 523865016 /nfs/dbraw/zinc/86/50/16/523865016.db2.gz GYQRBLTTYKKDSL-ZJUUUORDSA-N 2 2 277.315 -0.180 20 0 CBADLP COCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263183172 523865019 /nfs/dbraw/zinc/86/50/19/523865019.db2.gz GYQRBLTTYKKDSL-ZJUUUORDSA-N 2 2 277.315 -0.180 20 0 CBADLP CSCC[C@H]([NH3+])C(=O)N(C)CC[NH+]1CCOCC1 ZINC000157276304 525580037 /nfs/dbraw/zinc/58/00/37/525580037.db2.gz UNUHWQJJNXZPOP-NSHDSACASA-N 2 2 275.418 -0.143 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000342717534 526626005 /nfs/dbraw/zinc/62/60/05/526626005.db2.gz VRTONAIWANHLPD-GXTWGEPZSA-N 2 2 296.415 -0.345 20 0 CBADLP NS(=O)(=O)c1ccc(-n2cc[nH+]c2CC[NH3+])nc1 ZINC000052304459 527199141 /nfs/dbraw/zinc/19/91/41/527199141.db2.gz PHULMIBBUNZBQD-UHFFFAOYSA-N 2 2 267.314 -0.584 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[NH2+]C[C@@H]2C(F)F)C1 ZINC000377567221 527734126 /nfs/dbraw/zinc/73/41/26/527734126.db2.gz ZEFULBCMFQDHQL-ZJUUUORDSA-N 2 2 277.315 -0.227 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[NH2+]C[C@@H]2C(F)F)C1 ZINC000377567221 527734128 /nfs/dbraw/zinc/73/41/28/527734128.db2.gz ZEFULBCMFQDHQL-ZJUUUORDSA-N 2 2 277.315 -0.227 20 0 CBADLP CCOC(=O)[C@](C)(O)C[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000354819006 528100936 /nfs/dbraw/zinc/10/09/36/528100936.db2.gz NJVDLZDZBJBUCX-CQSZACIVSA-N 2 2 296.371 -0.159 20 0 CBADLP CC(C)[C@@H](CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)[NH+]1CCOCC1 ZINC000377304716 528458944 /nfs/dbraw/zinc/45/89/44/528458944.db2.gz KIUKPOHAEKBEGI-JHJVBQTASA-N 2 2 285.388 -0.818 20 0 CBADLP CCOCC[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000174772776 528743640 /nfs/dbraw/zinc/74/36/40/528743640.db2.gz QBFXCCBZCDQSAX-ZDUSSCGKSA-N 2 2 285.388 -0.502 20 0 CBADLP CCOCC[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000174772776 528743646 /nfs/dbraw/zinc/74/36/46/528743646.db2.gz QBFXCCBZCDQSAX-ZDUSSCGKSA-N 2 2 285.388 -0.502 20 0 CBADLP CCOCC[NH+]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000174772785 528746729 /nfs/dbraw/zinc/74/67/29/528746729.db2.gz QBFXCCBZCDQSAX-CYBMUJFWSA-N 2 2 285.388 -0.502 20 0 CBADLP CCOCC[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000174772785 528746735 /nfs/dbraw/zinc/74/67/35/528746735.db2.gz QBFXCCBZCDQSAX-CYBMUJFWSA-N 2 2 285.388 -0.502 20 0 CBADLP C[N@H+](C[C@H](O)Cn1cccn1)C1CC[NH+](CCO)CC1 ZINC000357722671 536442818 /nfs/dbraw/zinc/44/28/18/536442818.db2.gz SFAJETIIFKUXAS-AWEZNQCLSA-N 2 2 282.388 -0.368 20 0 CBADLP C[N@@H+](C[C@H](O)Cn1cccn1)C1CC[NH+](CCO)CC1 ZINC000357722671 536442821 /nfs/dbraw/zinc/44/28/21/536442821.db2.gz SFAJETIIFKUXAS-AWEZNQCLSA-N 2 2 282.388 -0.368 20 0 CBADLP C[NH+](C)CC(=O)N1CC[NH+](CCC2OCCO2)CC1 ZINC000123783624 582119436 /nfs/dbraw/zinc/11/94/36/582119436.db2.gz HKOJNZHHIMQRBA-UHFFFAOYSA-N 2 2 271.361 -0.545 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)c1ccnc(C[NH3+])c1 ZINC000130020867 582123272 /nfs/dbraw/zinc/12/32/72/582123272.db2.gz BWZVISVLOVQQHO-NSHDSACASA-N 2 2 278.356 -0.009 20 0 CBADLP CCOCC[NH+]1CCN(CC[NH+]2CCOCC2)CC1 ZINC000206748086 582127167 /nfs/dbraw/zinc/12/71/67/582127167.db2.gz ACQBLLOLEQYOQI-UHFFFAOYSA-N 2 2 271.405 -0.027 20 0 CBADLP CC1(C)CCC[NH2+][C@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000232919964 582129762 /nfs/dbraw/zinc/12/97/62/582129762.db2.gz QYVSEEGTJUWQRT-LBPRGKRZSA-N 2 2 269.389 -0.099 20 0 CBADLP COCCS(=O)(=O)CCC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000727830161 582142075 /nfs/dbraw/zinc/14/20/75/582142075.db2.gz JQAXHVIEFRDFFJ-RYUDHWBXSA-N 2 2 276.402 -0.411 20 0 CBADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[NH+](CC(N)=O)CC1 ZINC000728867832 582144682 /nfs/dbraw/zinc/14/46/82/582144682.db2.gz SXVHFXXOZMJSNH-CYBMUJFWSA-N 2 2 296.415 -0.120 20 0 CBADLP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[NH+](CC(N)=O)CC1 ZINC000728867832 582144683 /nfs/dbraw/zinc/14/46/83/582144683.db2.gz SXVHFXXOZMJSNH-CYBMUJFWSA-N 2 2 296.415 -0.120 20 0 CBADLP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000728867832 582144685 /nfs/dbraw/zinc/14/46/85/582144685.db2.gz SXVHFXXOZMJSNH-CYBMUJFWSA-N 2 2 296.415 -0.120 20 0 CBADLP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000728867832 582144686 /nfs/dbraw/zinc/14/46/86/582144686.db2.gz SXVHFXXOZMJSNH-CYBMUJFWSA-N 2 2 296.415 -0.120 20 0 CBADLP C[C@@H](NC(=O)CC[NH+]1CCOCC1)[C@@H](C)[NH+]1CCOCC1 ZINC000729449083 582146584 /nfs/dbraw/zinc/14/65/84/582146584.db2.gz KEZBJDQVXZJJIQ-ZIAGYGMSSA-N 2 2 299.415 -0.066 20 0 CBADLP CC(C)(O)C[NH+]1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000730083050 582148997 /nfs/dbraw/zinc/14/89/97/582148997.db2.gz WSGXMPBSNUYQDC-UHFFFAOYSA-N 2 2 299.415 -0.376 20 0 CBADLP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[NH+](CC(N)=O)CC1 ZINC000732272142 582157774 /nfs/dbraw/zinc/15/77/74/582157774.db2.gz JLDJDTAUTATXJV-LBPRGKRZSA-N 2 2 282.388 -0.510 20 0 CBADLP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[NH+](CC(N)=O)CC1 ZINC000732272142 582157775 /nfs/dbraw/zinc/15/77/75/582157775.db2.gz JLDJDTAUTATXJV-LBPRGKRZSA-N 2 2 282.388 -0.510 20 0 CBADLP C[NH+]1CCCC[C@H]1C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000732272142 582157776 /nfs/dbraw/zinc/15/77/76/582157776.db2.gz JLDJDTAUTATXJV-LBPRGKRZSA-N 2 2 282.388 -0.510 20 0 CBADLP C[NH+]1CCCC[C@H]1C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000732272142 582157777 /nfs/dbraw/zinc/15/77/77/582157777.db2.gz JLDJDTAUTATXJV-LBPRGKRZSA-N 2 2 282.388 -0.510 20 0 CBADLP CN(C)c1[nH+]cc(CNC(=O)CC[NH+]2CCOCC2)n1C ZINC000733969985 582166986 /nfs/dbraw/zinc/16/69/86/582166986.db2.gz FAQRDGXYSSELJQ-UHFFFAOYSA-N 2 2 295.387 -0.175 20 0 CBADLP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCC[NH+](CC(N)=O)CC1 ZINC000746219418 582283888 /nfs/dbraw/zinc/28/38/88/582283888.db2.gz RCBXWZDWHDHVMA-BETUJISGSA-N 2 2 296.415 -0.121 20 0 CBADLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCC[NH+](CC(N)=O)CC1 ZINC000746219418 582283889 /nfs/dbraw/zinc/28/38/89/582283889.db2.gz RCBXWZDWHDHVMA-BETUJISGSA-N 2 2 296.415 -0.121 20 0 CBADLP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000746219418 582283890 /nfs/dbraw/zinc/28/38/90/582283890.db2.gz RCBXWZDWHDHVMA-BETUJISGSA-N 2 2 296.415 -0.121 20 0 CBADLP C[C@H]1CN(C(=O)CN2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000748351530 582287703 /nfs/dbraw/zinc/28/77/03/582287703.db2.gz WSISXHQLIOBGJE-LBPRGKRZSA-N 2 2 254.378 -0.604 20 0 CBADLP C[C@H]1CN(C(=O)CN2CC[NH+](C)CC2)CC[N@H+]1C ZINC000748351530 582287704 /nfs/dbraw/zinc/28/77/04/582287704.db2.gz WSISXHQLIOBGJE-LBPRGKRZSA-N 2 2 254.378 -0.604 20 0 CBADLP O=C1C[C@H]2CC[C@@H](CN1)[N@H+]2C[C@@H](O)C[NH+]1CCCC1 ZINC000749115550 582289216 /nfs/dbraw/zinc/28/92/16/582289216.db2.gz IQLASDCOZNTBLN-AGIUHOORSA-N 2 2 267.373 -0.204 20 0 CBADLP O=C1C[C@H]2CC[C@@H](CN1)[N@@H+]2C[C@@H](O)C[NH+]1CCCC1 ZINC000749115550 582289217 /nfs/dbraw/zinc/28/92/17/582289217.db2.gz IQLASDCOZNTBLN-AGIUHOORSA-N 2 2 267.373 -0.204 20 0 CBADLP CC(C)(C)[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)C(N)=O ZINC000749366958 582289547 /nfs/dbraw/zinc/28/95/47/582289547.db2.gz XNBLWKVBSJVSKN-GHMZBOCLSA-N 2 2 257.378 -0.067 20 0 CBADLP CC(C)(CNC(=O)CC[NH+]1CCOCC1)[NH+]1CCOCC1 ZINC000750853725 582292092 /nfs/dbraw/zinc/29/20/92/582292092.db2.gz UVYFAJMIHVIIBI-UHFFFAOYSA-N 2 2 299.415 -0.064 20 0 CBADLP NS(=O)(=O)CC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000751482798 582293041 /nfs/dbraw/zinc/29/30/41/582293041.db2.gz LHFKKSWMKICNIM-UHFFFAOYSA-N 2 2 258.347 -0.122 20 0 CBADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CN2C(=O)C(=O)N(C)C2=O)C1 ZINC000755791870 582302451 /nfs/dbraw/zinc/30/24/51/582302451.db2.gz UITGCIFEGVJOIM-SECBINFHSA-N 2 2 291.311 -0.413 20 0 CBADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CN2C(=O)C(=O)N(C)C2=O)C1 ZINC000755791870 582302452 /nfs/dbraw/zinc/30/24/52/582302452.db2.gz UITGCIFEGVJOIM-SECBINFHSA-N 2 2 291.311 -0.413 20 0 CBADLP COCC1(O)CC[NH+](C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000759316345 582309727 /nfs/dbraw/zinc/30/97/27/582309727.db2.gz XRNRQIDQWLYFQE-ZDUSSCGKSA-N 2 2 272.389 -0.084 20 0 CBADLP C[C@@H]1CC(=O)NCC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000761058415 582314168 /nfs/dbraw/zinc/31/41/68/582314168.db2.gz XVZAHPACCKVILW-NEPJUHHUSA-N 2 2 255.362 -0.347 20 0 CBADLP C[C@@H]1CC(=O)NCC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000761058415 582314169 /nfs/dbraw/zinc/31/41/69/582314169.db2.gz XVZAHPACCKVILW-NEPJUHHUSA-N 2 2 255.362 -0.347 20 0 CBADLP Cc1cc(N2CC[NH+](CC[S@@](C)=O)CC2)nc(N)[nH+]1 ZINC000771147187 582340595 /nfs/dbraw/zinc/34/05/95/582340595.db2.gz PBDLENOMIAWDCD-LJQANCHMSA-N 2 2 283.401 -0.132 20 0 CBADLP CNC(=O)[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)C(C)C ZINC000775433437 582352582 /nfs/dbraw/zinc/35/25/82/582352582.db2.gz BRLRLAQPHKHXMI-RYUDHWBXSA-N 2 2 257.378 -0.197 20 0 CBADLP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000776875849 582355962 /nfs/dbraw/zinc/35/59/62/582355962.db2.gz AURWCGJRELNXFR-OLZOCXBDSA-N 2 2 265.361 -0.018 20 0 CBADLP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000776875849 582355963 /nfs/dbraw/zinc/35/59/63/582355963.db2.gz AURWCGJRELNXFR-OLZOCXBDSA-N 2 2 265.361 -0.018 20 0 CBADLP C[NH+](C)CC(=O)NC[C@H]1CCCN1C(=O)C[NH+](C)C ZINC000785416449 582376003 /nfs/dbraw/zinc/37/60/03/582376003.db2.gz STVLICLVZIHOON-LLVKDONJSA-N 2 2 270.377 -0.783 20 0 CBADLP CON(C)C(=O)CC[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000787727889 582382547 /nfs/dbraw/zinc/38/25/47/582382547.db2.gz DOMYNHJGRRCRSL-UHFFFAOYSA-N 2 2 281.360 -0.048 20 0 CBADLP COC(=O)[C@H]1[C@@H]2C[N@@H+](C[C@H](O)C[NH+]3CCCC3)C[C@@H]21 ZINC000794970117 582407462 /nfs/dbraw/zinc/40/74/62/582407462.db2.gz VRQQDITXLFQNCE-NDBYEHHHSA-N 2 2 268.357 -0.206 20 0 CBADLP COC(=O)[C@H]1[C@@H]2C[N@H+](C[C@H](O)C[NH+]3CCCC3)C[C@@H]21 ZINC000794970117 582407463 /nfs/dbraw/zinc/40/74/63/582407463.db2.gz VRQQDITXLFQNCE-NDBYEHHHSA-N 2 2 268.357 -0.206 20 0 CBADLP CO[C@H](C)C[N@H+](C)CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000795749710 582410456 /nfs/dbraw/zinc/41/04/56/582410456.db2.gz HPDNRTDWZBMGHT-LLVKDONJSA-N 2 2 298.387 -0.073 20 0 CBADLP CO[C@H](C)C[N@@H+](C)CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000795749710 582410457 /nfs/dbraw/zinc/41/04/57/582410457.db2.gz HPDNRTDWZBMGHT-LLVKDONJSA-N 2 2 298.387 -0.073 20 0 CBADLP CON(C)C(=O)CC[NH+]1CCN(Cc2[nH+]ccn2C)CC1 ZINC000799121750 582418162 /nfs/dbraw/zinc/41/81/62/582418162.db2.gz KYVOIRHZOKVEDE-UHFFFAOYSA-N 2 2 295.387 -0.052 20 0 CBADLP O=C1CC[C@@H]([N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)C(=O)N1 ZINC000800479055 582422800 /nfs/dbraw/zinc/42/28/00/582422800.db2.gz VWOMKCAZBDJITA-QWHCGFSZSA-N 2 2 295.383 -0.164 20 0 CBADLP O=C1CC[C@@H]([N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)C(=O)N1 ZINC000800479055 582422801 /nfs/dbraw/zinc/42/28/01/582422801.db2.gz VWOMKCAZBDJITA-QWHCGFSZSA-N 2 2 295.383 -0.164 20 0 CBADLP OC[C@@H]1CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C[C@H]1O ZINC000808750247 582444299 /nfs/dbraw/zinc/44/42/99/582444299.db2.gz HEXIKUYDGDFVOE-RWMBFGLXSA-N 2 2 258.362 -0.882 20 0 CBADLP OC[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C[C@H]1O ZINC000808750247 582444300 /nfs/dbraw/zinc/44/43/00/582444300.db2.gz HEXIKUYDGDFVOE-RWMBFGLXSA-N 2 2 258.362 -0.882 20 0 CBADLP Cn1ncc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)n1 ZINC000809960016 582447542 /nfs/dbraw/zinc/44/75/42/582447542.db2.gz ROOOUTJKVIWQPF-UHFFFAOYSA-N 2 2 294.403 -0.295 20 0 CBADLP CC(C)C[C@H]([NH2+]Cc1cnn(C)n1)C(=O)NCC[NH+](C)C ZINC000815132784 582461354 /nfs/dbraw/zinc/46/13/54/582461354.db2.gz LYMHNBCBCLXCIE-ZDUSSCGKSA-N 2 2 296.419 -0.003 20 0 CBADLP CS(=O)(=O)CC[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000819003582 582524718 /nfs/dbraw/zinc/52/47/18/582524718.db2.gz GNWQMXJCDDIADU-NSHDSACASA-N 2 2 291.417 -0.792 20 0 CBADLP CS(=O)(=O)CC[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000819003582 582524719 /nfs/dbraw/zinc/52/47/19/582524719.db2.gz GNWQMXJCDDIADU-NSHDSACASA-N 2 2 291.417 -0.792 20 0 CBADLP C[C@H]1CN(C(=O)C[NH+]2CCCC2)CC[N@@H+]1CCO ZINC000822156234 582628305 /nfs/dbraw/zinc/62/83/05/582628305.db2.gz XKMPCWPDFPAYPH-LBPRGKRZSA-N 2 2 255.362 -0.393 20 0 CBADLP C[C@H]1CN(C(=O)C[NH+]2CCCC2)CC[N@H+]1CCO ZINC000822156234 582628306 /nfs/dbraw/zinc/62/83/06/582628306.db2.gz XKMPCWPDFPAYPH-LBPRGKRZSA-N 2 2 255.362 -0.393 20 0 CBADLP C[C@H]1C[N@@H+](CCO)CCN1C(=O)C[NH+]1CCCC1 ZINC000823474891 582670450 /nfs/dbraw/zinc/67/04/50/582670450.db2.gz QQTWZOOXKKSGEI-LBPRGKRZSA-N 2 2 255.362 -0.393 20 0 CBADLP C[C@@H]1C[N@H+](CCO)CCN1C(=O)C[NH+]1CCCC1 ZINC000823474889 582670390 /nfs/dbraw/zinc/67/03/90/582670390.db2.gz QQTWZOOXKKSGEI-GFCCVEGCSA-N 2 2 255.362 -0.393 20 0 CBADLP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)C[NH+]1CCCC1 ZINC000823474889 582670393 /nfs/dbraw/zinc/67/03/93/582670393.db2.gz QQTWZOOXKKSGEI-GFCCVEGCSA-N 2 2 255.362 -0.393 20 0 CBADLP C[C@H]1C[N@H+](CCO)CCN1C(=O)C[NH+]1CCCC1 ZINC000823474891 582670449 /nfs/dbraw/zinc/67/04/49/582670449.db2.gz QQTWZOOXKKSGEI-LBPRGKRZSA-N 2 2 255.362 -0.393 20 0 CBADLP Cn1cc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)nn1 ZINC000823496074 582671081 /nfs/dbraw/zinc/67/10/81/582671081.db2.gz HBUPPXAMAPQWLZ-UHFFFAOYSA-N 2 2 283.380 -0.180 20 0 CBADLP Cn1cc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)nn1 ZINC000823496074 582671082 /nfs/dbraw/zinc/67/10/82/582671082.db2.gz HBUPPXAMAPQWLZ-UHFFFAOYSA-N 2 2 283.380 -0.180 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@]1(C)CCC(=O)N1 ZINC000824437938 582696907 /nfs/dbraw/zinc/69/69/07/582696907.db2.gz FKKFVKRRGVTRRQ-AWEZNQCLSA-N 2 2 284.404 -0.345 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@]1(C)CCC(=O)N1 ZINC000824437938 582696910 /nfs/dbraw/zinc/69/69/10/582696910.db2.gz FKKFVKRRGVTRRQ-AWEZNQCLSA-N 2 2 284.404 -0.345 20 0 CBADLP CCn1cc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)nn1 ZINC000824957500 582716398 /nfs/dbraw/zinc/71/63/98/582716398.db2.gz NXNJNLMKKNPPGO-UHFFFAOYSA-N 2 2 282.392 -0.089 20 0 CBADLP CCn1cc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)nn1 ZINC000824957500 582716395 /nfs/dbraw/zinc/71/63/95/582716395.db2.gz NXNJNLMKKNPPGO-UHFFFAOYSA-N 2 2 282.392 -0.089 20 0 CBADLP Cc1cc[nH+]c(NC[C@H](O)C[NH+](C)C)c1-c1nn[nH]n1 ZINC000826312419 582766546 /nfs/dbraw/zinc/76/65/46/582766546.db2.gz DCTDGOWRZUJWQL-VIFPVBQESA-N 2 2 277.332 -0.095 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)C[C@H]([NH3+])C1CC1 ZINC000828415843 582854899 /nfs/dbraw/zinc/85/48/99/582854899.db2.gz ZKMLDRLLRISRQA-LBPRGKRZSA-N 2 2 255.362 -0.096 20 0 CBADLP CC(C)c1[nH+]ccn1CCNC(=O)CN1CC[NH2+]CC1=O ZINC000828965955 582879358 /nfs/dbraw/zinc/87/93/58/582879358.db2.gz SIHZZVPMYKOLID-UHFFFAOYSA-N 2 2 293.371 -0.446 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000830035809 582916852 /nfs/dbraw/zinc/91/68/52/582916852.db2.gz RVETWJGPHRBGOX-LLVKDONJSA-N 2 2 264.329 -0.115 20 0 CBADLP C[N@H+](C[C@H](O)C[NH+]1CC[C@@H]2COC(=O)N[C@H]2C1)C1CC1 ZINC000830904874 582944127 /nfs/dbraw/zinc/94/41/27/582944127.db2.gz CHQBMLJEYJHTHX-WXHSDQCUSA-N 2 2 283.372 -0.128 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH+]1CC[C@@H]2COC(=O)N[C@H]2C1)C1CC1 ZINC000830904874 582944129 /nfs/dbraw/zinc/94/41/29/582944129.db2.gz CHQBMLJEYJHTHX-WXHSDQCUSA-N 2 2 283.372 -0.128 20 0 CBADLP C[NH+](C[C@H](O)C[N@@H+]1CC[C@@H]2COC(=O)N[C@H]2C1)C1CC1 ZINC000830904874 582944130 /nfs/dbraw/zinc/94/41/30/582944130.db2.gz CHQBMLJEYJHTHX-WXHSDQCUSA-N 2 2 283.372 -0.128 20 0 CBADLP C[NH+](C[C@H](O)C[N@H+]1CC[C@@H]2COC(=O)N[C@H]2C1)C1CC1 ZINC000830904874 582944132 /nfs/dbraw/zinc/94/41/32/582944132.db2.gz CHQBMLJEYJHTHX-WXHSDQCUSA-N 2 2 283.372 -0.128 20 0 CBADLP C[C@@H]1CN(C(=O)c2n[nH]c3c2C[NH2+]CC3)[C@@H](C)C[NH2+]1 ZINC000831539948 582985206 /nfs/dbraw/zinc/98/52/06/582985206.db2.gz BTUWFXDYWFLCJC-BDAKNGLRSA-N 2 2 263.345 -0.122 20 0 CBADLP CCO[C@@H](CNC(=O)/C=C\C[NH+]1CCOCC1)C[NH+](C)C ZINC000831718362 582998265 /nfs/dbraw/zinc/99/82/65/582998265.db2.gz KZNGDUKZPXGYRK-GXMNPTEKSA-N 2 2 299.415 -0.042 20 0 CBADLP CCN(CC)C(=O)CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000841741494 583173761 /nfs/dbraw/zinc/17/37/61/583173761.db2.gz PRCIMLDEPZYNNA-LLVKDONJSA-N 2 2 285.392 -0.861 20 0 CBADLP CCN(CC)C(=O)CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000841741494 583173763 /nfs/dbraw/zinc/17/37/63/583173763.db2.gz PRCIMLDEPZYNNA-LLVKDONJSA-N 2 2 285.392 -0.861 20 0 CBADLP O=C(NC[C@@H]1C[NH2+]CCO1)c1ccc(-n2cc[nH+]c2)nc1 ZINC000842509883 583184562 /nfs/dbraw/zinc/18/45/62/583184562.db2.gz KJLATARKWVVUEQ-LBPRGKRZSA-N 2 2 287.323 -0.015 20 0 CBADLP CON(C)C(=O)CC[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000843091632 583201213 /nfs/dbraw/zinc/20/12/13/583201213.db2.gz FRRMADRAKWTWIY-GFCCVEGCSA-N 2 2 273.377 -0.167 20 0 CBADLP CON(C)C(=O)CC[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000843091632 583201214 /nfs/dbraw/zinc/20/12/14/583201214.db2.gz FRRMADRAKWTWIY-GFCCVEGCSA-N 2 2 273.377 -0.167 20 0 CBADLP CNC(=O)[C@H](O)C[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000843111553 583203130 /nfs/dbraw/zinc/20/31/30/583203130.db2.gz TZRSUFGNLZYNAC-ZIAGYGMSSA-N 2 2 295.383 -0.824 20 0 CBADLP CNC(=O)[C@H](O)C[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000843111553 583203133 /nfs/dbraw/zinc/20/31/33/583203133.db2.gz TZRSUFGNLZYNAC-ZIAGYGMSSA-N 2 2 295.383 -0.824 20 0 CBADLP [NH3+]CCCCCCNC(=O)C(=O)NCCn1cc[nH+]c1 ZINC000843259041 583204892 /nfs/dbraw/zinc/20/48/92/583204892.db2.gz HYFLMRUINMBOBK-UHFFFAOYSA-N 2 2 281.360 -0.365 20 0 CBADLP Cn1ncc(C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)n1 ZINC000843346872 583211208 /nfs/dbraw/zinc/21/12/08/583211208.db2.gz PDBDPFWOYXOLCT-GFCCVEGCSA-N 2 2 292.387 -0.541 20 0 CBADLP Cn1ncc(C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)n1 ZINC000843346872 583211212 /nfs/dbraw/zinc/21/12/12/583211212.db2.gz PDBDPFWOYXOLCT-GFCCVEGCSA-N 2 2 292.387 -0.541 20 0 CBADLP COCCS(=O)(=O)CCC[N@H+](C)CCC[NH3+] ZINC000843351197 583211670 /nfs/dbraw/zinc/21/16/70/583211670.db2.gz JXIBVBDUZCBKLD-UHFFFAOYSA-N 2 2 252.380 -0.282 20 0 CBADLP COCCS(=O)(=O)CCC[N@@H+](C)CCC[NH3+] ZINC000843351197 583211674 /nfs/dbraw/zinc/21/16/74/583211674.db2.gz JXIBVBDUZCBKLD-UHFFFAOYSA-N 2 2 252.380 -0.282 20 0 CBADLP CC(=O)N1CSC[C@H]1C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000843357130 583212539 /nfs/dbraw/zinc/21/25/39/583212539.db2.gz DJJHCYDWHCHQNA-QWRGUYRKSA-N 2 2 286.401 -0.991 20 0 CBADLP CC(=O)N1CSC[C@H]1C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000843357130 583212542 /nfs/dbraw/zinc/21/25/42/583212542.db2.gz DJJHCYDWHCHQNA-QWRGUYRKSA-N 2 2 286.401 -0.991 20 0 CBADLP O=C(CO[C@H]1CCC[NH2+]C1)NCC[NH+]1CCOCC1 ZINC000844166284 583255613 /nfs/dbraw/zinc/25/56/13/583255613.db2.gz CFKHMGSKPCAYPV-LBPRGKRZSA-N 2 2 271.361 -0.797 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000844170120 583256287 /nfs/dbraw/zinc/25/62/87/583256287.db2.gz FZYPXILRPITXRR-STQMWFEESA-N 2 2 285.388 -0.408 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)[C@@]2(F)CC[NH2+]C2)CCO1 ZINC000844179081 583257913 /nfs/dbraw/zinc/25/79/13/583257913.db2.gz PPPLUBZSOZMJKP-CMPLNLGQSA-N 2 2 259.325 -0.475 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)[C@@]2(F)CC[NH2+]C2)CCO1 ZINC000844179081 583257915 /nfs/dbraw/zinc/25/79/15/583257915.db2.gz PPPLUBZSOZMJKP-CMPLNLGQSA-N 2 2 259.325 -0.475 20 0 CBADLP C[C@H]([C@H](C)NC(=O)CO[C@H]1CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000844183416 583259107 /nfs/dbraw/zinc/25/91/07/583259107.db2.gz ZUVWBCIFOONTKQ-MJBXVCDLSA-N 2 2 299.415 -0.020 20 0 CBADLP C[NH+](C)CCN1CC[N@H+](C[C@@H]2CC3(CC3)C(=O)O2)CC1=O ZINC000844381217 583269492 /nfs/dbraw/zinc/26/94/92/583269492.db2.gz JJTNFEPIXUEZBD-LBPRGKRZSA-N 2 2 295.383 -0.212 20 0 CBADLP C[NH+](C)CCN1CC[N@@H+](C[C@@H]2CC3(CC3)C(=O)O2)CC1=O ZINC000844381217 583269494 /nfs/dbraw/zinc/26/94/94/583269494.db2.gz JJTNFEPIXUEZBD-LBPRGKRZSA-N 2 2 295.383 -0.212 20 0 CBADLP CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)[C@@H]1CCCCNC1=O ZINC000846668953 583381770 /nfs/dbraw/zinc/38/17/70/583381770.db2.gz CRQBBZJMYPDWCO-WDEREUQCSA-N 2 2 270.377 -0.608 20 0 CBADLP COC(=O)C[C@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C1CC1 ZINC000846671646 583382113 /nfs/dbraw/zinc/38/21/13/583382113.db2.gz DNQGFVUIAABQAM-QWRGUYRKSA-N 2 2 271.361 -0.277 20 0 CBADLP COCCOCC[NH+]1CCN(C(=O)[C@H](C)[NH2+]C2CC2)CC1 ZINC000846701517 583384823 /nfs/dbraw/zinc/38/48/23/583384823.db2.gz XSFYOHSWBPEVOG-ZDUSSCGKSA-N 2 2 299.415 -0.066 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH2+]C1(C(N)=O)CCCC1 ZINC000846830559 583388905 /nfs/dbraw/zinc/38/89/05/583388905.db2.gz ZKLAOZSCAVFWPV-LLVKDONJSA-N 2 2 273.377 -0.687 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH2+]C1(C(N)=O)CCCC1 ZINC000846830559 583388907 /nfs/dbraw/zinc/38/89/07/583388907.db2.gz ZKLAOZSCAVFWPV-LLVKDONJSA-N 2 2 273.377 -0.687 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH2+]C1(CO)COC(C)(C)OC1 ZINC000846875926 583391110 /nfs/dbraw/zinc/39/11/10/583391110.db2.gz LRHMTNQNBBFCSA-LLVKDONJSA-N 2 2 276.377 -0.597 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH2+]C1(CO)COC(C)(C)OC1 ZINC000846875926 583391114 /nfs/dbraw/zinc/39/11/14/583391114.db2.gz LRHMTNQNBBFCSA-LLVKDONJSA-N 2 2 276.377 -0.597 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1C[C@H]2[C@H](C(=O)OC)[C@H]2C1 ZINC000846918860 583392713 /nfs/dbraw/zinc/39/27/13/583392713.db2.gz MAKYUYNKDJTENO-NDBYEHHHSA-N 2 2 286.372 -0.724 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@H]2[C@H](C(=O)OC)[C@H]2C1 ZINC000846918860 583392716 /nfs/dbraw/zinc/39/27/16/583392716.db2.gz MAKYUYNKDJTENO-NDBYEHHHSA-N 2 2 286.372 -0.724 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1C[C@H]2[C@H](C(=O)OC)[C@H]2C1 ZINC000846918860 583392717 /nfs/dbraw/zinc/39/27/17/583392717.db2.gz MAKYUYNKDJTENO-NDBYEHHHSA-N 2 2 286.372 -0.724 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@H]2[C@H](C(=O)OC)[C@H]2C1 ZINC000846918860 583392721 /nfs/dbraw/zinc/39/27/21/583392721.db2.gz MAKYUYNKDJTENO-NDBYEHHHSA-N 2 2 286.372 -0.724 20 0 CBADLP COCC[N@H+](C)CCNC(=[NH2+])N1CCO[C@H](C)C1 ZINC000849000565 583466341 /nfs/dbraw/zinc/46/63/41/583466341.db2.gz BWUINIGDLCPWBL-LLVKDONJSA-N 2 2 258.366 -0.190 20 0 CBADLP COCC[N@@H+](C)CCNC(=[NH2+])N1CCO[C@H](C)C1 ZINC000849000565 583466344 /nfs/dbraw/zinc/46/63/44/583466344.db2.gz BWUINIGDLCPWBL-LLVKDONJSA-N 2 2 258.366 -0.190 20 0 CBADLP C[N@H+](CCC[NH3+])Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000849133272 583472184 /nfs/dbraw/zinc/47/21/84/583472184.db2.gz LIOVWQZIBSFASJ-LLVKDONJSA-N 3 2 252.366 -0.017 20 0 CBADLP C[N@@H+](CCC[NH3+])Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000849133272 583472186 /nfs/dbraw/zinc/47/21/86/583472186.db2.gz LIOVWQZIBSFASJ-LLVKDONJSA-N 3 2 252.366 -0.017 20 0 CBADLP C[NH+](C)CCN1CC[N@H+](C[C@@H]2CCC(=O)O2)CC1=O ZINC000852210425 583540999 /nfs/dbraw/zinc/54/09/99/583540999.db2.gz DVZFBGUHHRWBPG-NSHDSACASA-N 2 2 269.345 -0.602 20 0 CBADLP C[NH+](C)CCN1CC[N@@H+](C[C@@H]2CCC(=O)O2)CC1=O ZINC000852210425 583541001 /nfs/dbraw/zinc/54/10/01/583541001.db2.gz DVZFBGUHHRWBPG-NSHDSACASA-N 2 2 269.345 -0.602 20 0 CBADLP C[NH+](C)CCN1CC[N@H+](C[C@@H]2COC(C)(C)O2)CC1=O ZINC000852211633 583541275 /nfs/dbraw/zinc/54/12/75/583541275.db2.gz VFOUTJDTBOMEPI-GFCCVEGCSA-N 2 2 285.388 -0.156 20 0 CBADLP C[NH+](C)CCN1CC[N@@H+](C[C@@H]2COC(C)(C)O2)CC1=O ZINC000852211633 583541277 /nfs/dbraw/zinc/54/12/77/583541277.db2.gz VFOUTJDTBOMEPI-GFCCVEGCSA-N 2 2 285.388 -0.156 20 0 CBADLP CN(C)C(=O)C[NH+]1CCN(C(=O)C=C2CC[NH2+]CC2)CC1 ZINC000852855649 583561596 /nfs/dbraw/zinc/56/15/96/583561596.db2.gz LPQPICCTSCWBBZ-UHFFFAOYSA-N 2 2 294.399 -0.471 20 0 CBADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)C2(O)C[NH2+]C2)cn1 ZINC000852859133 583562201 /nfs/dbraw/zinc/56/22/01/583562201.db2.gz QCWKHHHHOWXWKS-UHFFFAOYSA-N 2 2 287.323 -0.474 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852860979 583562496 /nfs/dbraw/zinc/56/24/96/583562496.db2.gz XGJAHTQNUXIBHX-BDAKNGLRSA-N 2 2 251.290 -0.509 20 0 CBADLP O=C(NCc1ccnc(-n2cc[nH+]c2)c1)C1(O)C[NH2+]C1 ZINC000852860932 583562578 /nfs/dbraw/zinc/56/25/78/583562578.db2.gz LYMROWYOASEYHW-UHFFFAOYSA-N 2 2 273.296 -0.782 20 0 CBADLP C[N@@H+]1CCO[C@H](CNC(=O)C=C2CC[NH2+]CC2)C1 ZINC000852883874 583567701 /nfs/dbraw/zinc/56/77/01/583567701.db2.gz QDRIYCUWZGJIHD-GFCCVEGCSA-N 2 2 253.346 -0.257 20 0 CBADLP C[N@H+]1CCO[C@H](CNC(=O)C=C2CC[NH2+]CC2)C1 ZINC000852883874 583567702 /nfs/dbraw/zinc/56/77/02/583567702.db2.gz QDRIYCUWZGJIHD-GFCCVEGCSA-N 2 2 253.346 -0.257 20 0 CBADLP O=C(CO[C@@H]1CCC[NH2+]C1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000852906719 583573272 /nfs/dbraw/zinc/57/32/72/583573272.db2.gz PMMQGOFKRVVQLK-ZIAGYGMSSA-N 2 2 297.399 -0.312 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000854352802 583599460 /nfs/dbraw/zinc/59/94/60/583599460.db2.gz KROTXVRLOWDRQH-NSHDSACASA-N 2 2 263.345 -0.542 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000854352802 583599463 /nfs/dbraw/zinc/59/94/63/583599463.db2.gz KROTXVRLOWDRQH-NSHDSACASA-N 2 2 263.345 -0.542 20 0 CBADLP Cc1nonc1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000855414920 583638679 /nfs/dbraw/zinc/63/86/79/583638679.db2.gz MZYJEULATVUPAU-UHFFFAOYSA-N 2 2 269.349 -0.009 20 0 CBADLP Cc1nonc1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000855414920 583638680 /nfs/dbraw/zinc/63/86/80/583638680.db2.gz MZYJEULATVUPAU-UHFFFAOYSA-N 2 2 269.349 -0.009 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc[n+]([O-])cc1 ZINC000855416104 583639096 /nfs/dbraw/zinc/63/90/96/583639096.db2.gz FZCUYOSXUOPHLX-UHFFFAOYSA-N 2 2 280.372 -0.067 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc[n+]([O-])cc1 ZINC000855416104 583639099 /nfs/dbraw/zinc/63/90/99/583639099.db2.gz FZCUYOSXUOPHLX-UHFFFAOYSA-N 2 2 280.372 -0.067 20 0 CBADLP C[C@H]([NH3+])CCNC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000857102715 583664755 /nfs/dbraw/zinc/66/47/55/583664755.db2.gz LPEYEAMKQABEGY-NSHDSACASA-N 2 2 270.377 -0.112 20 0 CBADLP NC(=O)NC(=O)CCC[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000859355774 583715460 /nfs/dbraw/zinc/71/54/60/583715460.db2.gz XDHVWYDZOHDWHK-UHFFFAOYSA-N 2 2 298.387 -0.242 20 0 CBADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000859655223 583726633 /nfs/dbraw/zinc/72/66/33/583726633.db2.gz KSCCDDHTZYHRDE-STQMWFEESA-N 2 2 269.389 -0.004 20 0 CBADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000859655223 583726635 /nfs/dbraw/zinc/72/66/35/583726635.db2.gz KSCCDDHTZYHRDE-STQMWFEESA-N 2 2 269.389 -0.004 20 0 CBADLP COC(=O)C1=CC[C@@H](NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])C1 ZINC000861657434 583776000 /nfs/dbraw/zinc/77/60/00/583776000.db2.gz BBDBVUOUJAXCSA-NEPJUHHUSA-N 2 2 296.371 -0.468 20 0 CBADLP COC(=O)C1=CC[C@@H](NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])C1 ZINC000861657434 583776002 /nfs/dbraw/zinc/77/60/02/583776002.db2.gz BBDBVUOUJAXCSA-NEPJUHHUSA-N 2 2 296.371 -0.468 20 0 CBADLP O=C(N1CC[NH2+]CC1)N1CC[NH+](CCOC(F)F)CC1 ZINC000863548041 583846130 /nfs/dbraw/zinc/84/61/30/583846130.db2.gz NACONZAYLPPADO-UHFFFAOYSA-N 2 2 292.330 -0.132 20 0 CBADLP CON(C)C(=O)[C@H](C)[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000863548723 583846278 /nfs/dbraw/zinc/84/62/78/583846278.db2.gz SBQOFVFORRVRQF-OUAUKWLOSA-N 2 2 259.350 -0.249 20 0 CBADLP C[C@@H]([NH3+])C[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863549130 583846343 /nfs/dbraw/zinc/84/63/43/583846343.db2.gz AASSKVUJLTVXDZ-JLLWLGSASA-N 3 2 268.361 -0.409 20 0 CBADLP CON(C)C(=O)[C@@H](C)[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000863548721 583846484 /nfs/dbraw/zinc/84/64/84/583846484.db2.gz SBQOFVFORRVRQF-HBNTYKKESA-N 2 2 259.350 -0.249 20 0 CBADLP C[C@H]([NH3+])C[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863549131 583846508 /nfs/dbraw/zinc/84/65/08/583846508.db2.gz AASSKVUJLTVXDZ-WCQGTBRESA-N 3 2 268.361 -0.409 20 0 CBADLP CS(=O)(=O)NC[C@@H]1COCC[N@@H+]1CCCCCC[NH3+] ZINC000863561061 583846764 /nfs/dbraw/zinc/84/67/64/583846764.db2.gz CCWADPWIBKFHRA-GFCCVEGCSA-N 2 2 293.433 -0.245 20 0 CBADLP CS(=O)(=O)NC[C@@H]1COCC[N@H+]1CCCCCC[NH3+] ZINC000863561061 583846766 /nfs/dbraw/zinc/84/67/66/583846766.db2.gz CCWADPWIBKFHRA-GFCCVEGCSA-N 2 2 293.433 -0.245 20 0 CBADLP Cn1cc([C@@H](O)C[NH2+]C[C@H](O)C[NH+]2CCCC2)cn1 ZINC000863561221 583846951 /nfs/dbraw/zinc/84/69/51/583846951.db2.gz DAHGQFBFFGALAQ-STQMWFEESA-N 2 2 268.361 -0.500 20 0 CBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C[C@@H]([NH3+])C1CC1 ZINC000863582235 583847666 /nfs/dbraw/zinc/84/76/66/583847666.db2.gz DUEOQPAZZBRVMP-QWHCGFSZSA-N 2 2 285.388 -0.735 20 0 CBADLP C[N@@H+]1CCN(C(=O)[C@H]2CC[NH+]2C(C)(C)C)C[C@H]1CO ZINC000864077211 583871316 /nfs/dbraw/zinc/87/13/16/583871316.db2.gz CQXIHTPOSPGJDE-NWDGAFQWSA-N 2 2 269.389 -0.006 20 0 CBADLP C[N@H+]1CCN(C(=O)[C@H]2CC[NH+]2C(C)(C)C)C[C@H]1CO ZINC000864077211 583871317 /nfs/dbraw/zinc/87/13/17/583871317.db2.gz CQXIHTPOSPGJDE-NWDGAFQWSA-N 2 2 269.389 -0.006 20 0 CBADLP C[NH+]1CCN(C(=O)[C@H]2CC[N@@H+]2C(C)(C)C)C[C@H]1CO ZINC000864077211 583871319 /nfs/dbraw/zinc/87/13/19/583871319.db2.gz CQXIHTPOSPGJDE-NWDGAFQWSA-N 2 2 269.389 -0.006 20 0 CBADLP C[NH+]1CCN(C(=O)[C@H]2CC[N@H+]2C(C)(C)C)C[C@H]1CO ZINC000864077211 583871321 /nfs/dbraw/zinc/87/13/21/583871321.db2.gz CQXIHTPOSPGJDE-NWDGAFQWSA-N 2 2 269.389 -0.006 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000864078796 583872010 /nfs/dbraw/zinc/87/20/10/583872010.db2.gz QPHHBAQXUSWPHZ-LLVKDONJSA-N 2 2 252.318 -0.674 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000864078796 583872012 /nfs/dbraw/zinc/87/20/12/583872012.db2.gz QPHHBAQXUSWPHZ-LLVKDONJSA-N 2 2 252.318 -0.674 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)N2CC[NH+](C)[C@@H](CO)C2)CC[N@@H+]1C ZINC000864079325 583872297 /nfs/dbraw/zinc/87/22/97/583872297.db2.gz VXWCYDFMDUOLHS-FRRDWIJNSA-N 2 2 269.389 -0.148 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)N2CC[NH+](C)[C@@H](CO)C2)CC[N@H+]1C ZINC000864079325 583872298 /nfs/dbraw/zinc/87/22/98/583872298.db2.gz VXWCYDFMDUOLHS-FRRDWIJNSA-N 2 2 269.389 -0.148 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)N2CC[N@H+](C)[C@@H](CO)C2)CC[NH+]1C ZINC000864079325 583872299 /nfs/dbraw/zinc/87/22/99/583872299.db2.gz VXWCYDFMDUOLHS-FRRDWIJNSA-N 2 2 269.389 -0.148 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)CC[NH+]1C ZINC000864079325 583872300 /nfs/dbraw/zinc/87/23/00/583872300.db2.gz VXWCYDFMDUOLHS-FRRDWIJNSA-N 2 2 269.389 -0.148 20 0 CBADLP O=C(/C=C\C[NH+]1CCOCC1)N1CC[NH+](CCO)CC1 ZINC000864814898 583889659 /nfs/dbraw/zinc/88/96/59/583889659.db2.gz QFVDCILDAXZKRR-UPHRSURJSA-N 2 2 283.372 -0.989 20 0 CBADLP O=C(/C=C/C[NH+]1CCOCC1)NCCn1cc[nH+]c1 ZINC000864867701 583890931 /nfs/dbraw/zinc/89/09/31/583890931.db2.gz NTWZABPHVXQWBN-OWOJBTEDSA-N 2 2 264.329 -0.112 20 0 CBADLP C[N@@H+]1CC[C@@H](CNC(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000864960399 583893380 /nfs/dbraw/zinc/89/33/80/583893380.db2.gz LBDPIPRXUVFALO-ZRMMWKCHSA-N 2 2 267.373 -0.057 20 0 CBADLP C[N@H+]1CC[C@@H](CNC(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000864960399 583893382 /nfs/dbraw/zinc/89/33/82/583893382.db2.gz LBDPIPRXUVFALO-ZRMMWKCHSA-N 2 2 267.373 -0.057 20 0 CBADLP CN(C(=O)[C@H](O)c1c[nH+]c[nH]1)[C@@H]1CCC[N@H+](C)C1 ZINC000866068619 583915597 /nfs/dbraw/zinc/91/55/97/583915597.db2.gz UGBSPDWDJUVFKY-MWLCHTKSSA-N 2 2 252.318 -0.004 20 0 CBADLP CN(C(=O)[C@H](O)c1c[nH+]c[nH]1)[C@@H]1CCC[N@@H+](C)C1 ZINC000866068619 583915598 /nfs/dbraw/zinc/91/55/98/583915598.db2.gz UGBSPDWDJUVFKY-MWLCHTKSSA-N 2 2 252.318 -0.004 20 0 CBADLP O=C([C@H](O)c1c[nH+]c[nH]1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000866378851 583921435 /nfs/dbraw/zinc/92/14/35/583921435.db2.gz BDYMCCPEGCSNSE-WCQYABFASA-N 2 2 294.355 -0.376 20 0 CBADLP C[N@@H+]1CC[C@@H]2C[NH+](CCC(=O)N3CC[NH2+]CC3)CC[C@@H]21 ZINC000866703168 583927809 /nfs/dbraw/zinc/92/78/09/583927809.db2.gz GEXAFMAKZSYIAG-KGLIPLIRSA-N 3 2 280.416 -0.166 20 0 CBADLP C[N@H+]1CC[C@@H]2C[NH+](CCC(=O)N3CC[NH2+]CC3)CC[C@@H]21 ZINC000866703168 583927810 /nfs/dbraw/zinc/92/78/10/583927810.db2.gz GEXAFMAKZSYIAG-KGLIPLIRSA-N 3 2 280.416 -0.166 20 0 CBADLP C[NH+]1CC[C@@H]2C[N@H+](CCC(=O)N3CC[NH2+]CC3)CC[C@@H]21 ZINC000866703168 583927811 /nfs/dbraw/zinc/92/78/11/583927811.db2.gz GEXAFMAKZSYIAG-KGLIPLIRSA-N 3 2 280.416 -0.166 20 0 CBADLP C[NH+]1CC[C@@H]2C[N@@H+](CCC(=O)N3CC[NH2+]CC3)CC[C@@H]21 ZINC000866703168 583927812 /nfs/dbraw/zinc/92/78/12/583927812.db2.gz GEXAFMAKZSYIAG-KGLIPLIRSA-N 3 2 280.416 -0.166 20 0 CBADLP CCOC(=O)C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866713980 583928400 /nfs/dbraw/zinc/92/84/00/583928400.db2.gz CEHVEGQGDNSGBL-MXWKQRLJSA-N 2 2 283.328 -0.584 20 0 CBADLP CCOC(=O)C[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866713980 583928401 /nfs/dbraw/zinc/92/84/01/583928401.db2.gz CEHVEGQGDNSGBL-MXWKQRLJSA-N 2 2 283.328 -0.584 20 0 CBADLP COC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866713882 583928419 /nfs/dbraw/zinc/92/84/19/583928419.db2.gz AEKCSXLMUCKCPM-DBIOUOCHSA-N 2 2 283.328 -0.585 20 0 CBADLP COC(=O)[C@@H](C)[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866713882 583928422 /nfs/dbraw/zinc/92/84/22/583928422.db2.gz AEKCSXLMUCKCPM-DBIOUOCHSA-N 2 2 283.328 -0.585 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@H]3[NH2+]CC[C@@H]32)CC1 ZINC000866726325 583929171 /nfs/dbraw/zinc/92/91/71/583929171.db2.gz YSVSZZAWJYBBHK-KGLIPLIRSA-N 3 2 280.416 -0.023 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@H]3[NH2+]CC[C@@H]32)CC1 ZINC000866726325 583929172 /nfs/dbraw/zinc/92/91/72/583929172.db2.gz YSVSZZAWJYBBHK-KGLIPLIRSA-N 3 2 280.416 -0.023 20 0 CBADLP C[C@H](NC(=O)/C=C/C[NH+]1CCOCC1)[C@H]1C[N@H+](C)CCO1 ZINC000866800707 583933293 /nfs/dbraw/zinc/93/32/93/583933293.db2.gz YDIXCDMRDMLUIC-PUWCWTCHSA-N 2 2 297.399 -0.290 20 0 CBADLP C[C@H](NC(=O)/C=C/C[NH+]1CCOCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000866800707 583933294 /nfs/dbraw/zinc/93/32/94/583933294.db2.gz YDIXCDMRDMLUIC-PUWCWTCHSA-N 2 2 297.399 -0.290 20 0 CBADLP CS[C@@H]1CN(C(=O)[C@H](O)c2c[nH+]c[nH]2)C[C@H]1[NH+](C)C ZINC000867021045 583938612 /nfs/dbraw/zinc/93/86/12/583938612.db2.gz PATZGFAMZRGNHT-GMTAPVOTSA-N 2 2 284.385 -0.053 20 0 CBADLP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)[C@@H](C)C1 ZINC000867525259 583956651 /nfs/dbraw/zinc/95/66/51/583956651.db2.gz OPQUGRLRPGGGOL-NHCYSSNCSA-N 2 2 282.344 -0.643 20 0 CBADLP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)[C@@H](C)C1 ZINC000867525259 583956653 /nfs/dbraw/zinc/95/66/53/583956653.db2.gz OPQUGRLRPGGGOL-NHCYSSNCSA-N 2 2 282.344 -0.643 20 0 CBADLP C[C@@H]1CN(C(=O)/C=C/C[NH+]2CCOCC2)CC[N@@H+]1CCO ZINC000867548252 583957328 /nfs/dbraw/zinc/95/73/28/583957328.db2.gz CBEDBULAZAWGMY-BAABZTOOSA-N 2 2 297.399 -0.600 20 0 CBADLP C[C@@H]1CN(C(=O)/C=C/C[NH+]2CCOCC2)CC[N@H+]1CCO ZINC000867548252 583957330 /nfs/dbraw/zinc/95/73/30/583957330.db2.gz CBEDBULAZAWGMY-BAABZTOOSA-N 2 2 297.399 -0.600 20 0 CBADLP C[C@@H]1CN(C(=O)[C@H](O)c2c[nH+]c[nH]2)CC[N@@H+]1CC(C)(C)O ZINC000867654501 583959570 /nfs/dbraw/zinc/95/95/70/583959570.db2.gz LNWMJAXVNOIXSQ-ZYHUDNBSSA-N 2 2 296.371 -0.253 20 0 CBADLP C[C@@H]1CN(C(=O)[C@H](O)c2c[nH+]c[nH]2)CC[N@H+]1CC(C)(C)O ZINC000867654501 583959571 /nfs/dbraw/zinc/95/95/71/583959571.db2.gz LNWMJAXVNOIXSQ-ZYHUDNBSSA-N 2 2 296.371 -0.253 20 0 CBADLP C[N@H+]1C[C@H]2CN(C(=O)[C@H](O)c3c[nH+]c[nH]3)C[C@H]2C1 ZINC000867873856 583965585 /nfs/dbraw/zinc/96/55/85/583965585.db2.gz RWWMLABILGGBGU-WCABBAIRSA-N 2 2 250.302 -0.537 20 0 CBADLP C[N@@H+]1C[C@H]2CN(C(=O)[C@H](O)c3c[nH+]c[nH]3)C[C@H]2C1 ZINC000867873856 583965586 /nfs/dbraw/zinc/96/55/86/583965586.db2.gz RWWMLABILGGBGU-WCABBAIRSA-N 2 2 250.302 -0.537 20 0 CBADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000868391767 583977080 /nfs/dbraw/zinc/97/70/80/583977080.db2.gz NUASCELYOWSGIN-ZJUUUORDSA-N 2 2 277.328 -0.812 20 0 CBADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000868415217 583978458 /nfs/dbraw/zinc/97/84/58/583978458.db2.gz CKHCWHAQHUJVTR-GHMZBOCLSA-N 2 2 291.355 -0.279 20 0 CBADLP C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000868567237 583981814 /nfs/dbraw/zinc/98/18/14/583981814.db2.gz SHYWVPQUMJHVFD-DVVUODLYSA-N 2 2 252.318 -0.006 20 0 CBADLP C[C@@H]1CN(C(=O)[C@H](O)c2c[nH+]c[nH]2)C[C@H](C)[N@H+]1C ZINC000868581370 583982045 /nfs/dbraw/zinc/98/20/45/583982045.db2.gz NRTBEALYUJPECO-WCABBAIRSA-N 2 2 252.318 -0.006 20 0 CBADLP C[C@@H]1CN(C(=O)[C@H](O)c2c[nH+]c[nH]2)C[C@H](C)[N@@H+]1C ZINC000868581370 583982046 /nfs/dbraw/zinc/98/20/46/583982046.db2.gz NRTBEALYUJPECO-WCABBAIRSA-N 2 2 252.318 -0.006 20 0 CBADLP CC[C@H](C(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1)[NH+](C)C ZINC000870066077 584008493 /nfs/dbraw/zinc/00/84/93/584008493.db2.gz CEUPWIVKJPHNKY-ZIAGYGMSSA-N 2 2 299.415 -0.114 20 0 CBADLP C[C@@H](C(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1)[NH+](C)C ZINC000870067382 584008909 /nfs/dbraw/zinc/00/89/09/584008909.db2.gz SJNRTHLRVYFKMA-QWHCGFSZSA-N 2 2 285.388 -0.504 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870880080 584020211 /nfs/dbraw/zinc/02/02/11/584020211.db2.gz WAVYDTJOVQFTBJ-DYEKYZERSA-N 2 2 267.373 -0.096 20 0 CBADLP Cc1ccn(C[C@@H](C)C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])n1 ZINC000870937784 584022102 /nfs/dbraw/zinc/02/21/02/584022102.db2.gz AWLCMOCGBLRZLC-DGCLKSJQSA-N 2 2 279.388 -0.071 20 0 CBADLP Cc1ccn(C[C@@H](C)C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])n1 ZINC000870937784 584022103 /nfs/dbraw/zinc/02/21/03/584022103.db2.gz AWLCMOCGBLRZLC-DGCLKSJQSA-N 2 2 279.388 -0.071 20 0 CBADLP Cc1ccn(C[C@H](C)C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])n1 ZINC000870937779 584022124 /nfs/dbraw/zinc/02/21/24/584022124.db2.gz AWLCMOCGBLRZLC-AAEUAGOBSA-N 2 2 279.388 -0.071 20 0 CBADLP Cc1ccn(C[C@H](C)C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])n1 ZINC000870937779 584022126 /nfs/dbraw/zinc/02/21/26/584022126.db2.gz AWLCMOCGBLRZLC-AAEUAGOBSA-N 2 2 279.388 -0.071 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1C[C@@H](O)CC(C)(C)C1 ZINC000870983548 584024238 /nfs/dbraw/zinc/02/42/38/584024238.db2.gz WBPXWCPCBVTQRH-WDEREUQCSA-N 2 2 257.378 -0.115 20 0 CBADLP CN(C[C@@H]1CCCN(C(=O)C[NH+](C)C)C1)C(=O)C[NH+](C)C ZINC000871237956 584033342 /nfs/dbraw/zinc/03/33/42/584033342.db2.gz KHNAJIDXBYGKSQ-ZDUSSCGKSA-N 2 2 298.431 -0.193 20 0 CBADLP C[S@@](=N)(=O)N1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000872146379 584048270 /nfs/dbraw/zinc/04/82/70/584048270.db2.gz MNYZEKLBCUUDCU-SFHVURJKSA-N 2 2 275.422 -0.899 20 0 CBADLP CC(C)(O)C[C@H](O)C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000872216568 584050843 /nfs/dbraw/zinc/05/08/43/584050843.db2.gz XQHNEULMISHCFP-RYUDHWBXSA-N 2 2 287.404 -0.562 20 0 CBADLP CC(C)(O)C[C@H](O)C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000872216568 584050844 /nfs/dbraw/zinc/05/08/44/584050844.db2.gz XQHNEULMISHCFP-RYUDHWBXSA-N 2 2 287.404 -0.562 20 0 CBADLP C[C@H](O)[C@@H](O)C[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000872225378 584051046 /nfs/dbraw/zinc/05/10/46/584051046.db2.gz JGJXZXPJOWIDJH-CFVMTHIKSA-N 2 2 282.384 -0.189 20 0 CBADLP C[C@H](O)[C@@H](O)C[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000872225378 584051048 /nfs/dbraw/zinc/05/10/48/584051048.db2.gz JGJXZXPJOWIDJH-CFVMTHIKSA-N 2 2 282.384 -0.189 20 0 CBADLP CN1CCN(C(=O)C2(O)C[NH2+]C2)Cc2ccc[nH+]c21 ZINC000872315055 584055620 /nfs/dbraw/zinc/05/56/20/584055620.db2.gz TYCXEUOFWAEJOY-UHFFFAOYSA-N 2 2 262.313 -0.806 20 0 CBADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000873235799 584069030 /nfs/dbraw/zinc/06/90/30/584069030.db2.gz RBXJTZOAJWMTDE-RWMBFGLXSA-N 2 2 299.415 -0.285 20 0 CBADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000873235799 584069032 /nfs/dbraw/zinc/06/90/32/584069032.db2.gz RBXJTZOAJWMTDE-RWMBFGLXSA-N 2 2 299.415 -0.285 20 0 CBADLP C[C@@H]([NH2+]C[C@]12COCCN1C(=O)COC2)[C@H]1CCCC[NH2+]1 ZINC000873266851 584069745 /nfs/dbraw/zinc/06/97/45/584069745.db2.gz RINWLKQMUMQAJY-UMVBOHGHSA-N 2 2 297.399 -0.266 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)C[NH+]2CCCC2)CCO1 ZINC000874265825 584079956 /nfs/dbraw/zinc/07/99/56/584079956.db2.gz BJJMUXYLRYRIQE-GFCCVEGCSA-N 2 2 255.362 -0.081 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)C[NH+]2CCCC2)CCO1 ZINC000874265825 584079957 /nfs/dbraw/zinc/07/99/57/584079957.db2.gz BJJMUXYLRYRIQE-GFCCVEGCSA-N 2 2 255.362 -0.081 20 0 CBADLP NC(=O)C[N@@H+]1CCCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000874351114 584081881 /nfs/dbraw/zinc/08/18/81/584081881.db2.gz DWQKOZJAJGOEFD-UHFFFAOYSA-N 2 2 268.361 -0.898 20 0 CBADLP NC(=O)C[N@H+]1CCCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000874351114 584081883 /nfs/dbraw/zinc/08/18/83/584081883.db2.gz DWQKOZJAJGOEFD-UHFFFAOYSA-N 2 2 268.361 -0.898 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)N[C@@H]2Cc3c[nH+]cn3C2)CCO1 ZINC000875195242 584100822 /nfs/dbraw/zinc/10/08/22/584100822.db2.gz QCQUHQWNRWOIDB-VXGBXAGGSA-N 2 2 293.371 -0.172 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)N[C@@H]2Cc3c[nH+]cn3C2)CCO1 ZINC000875195242 584100824 /nfs/dbraw/zinc/10/08/24/584100824.db2.gz QCQUHQWNRWOIDB-VXGBXAGGSA-N 2 2 293.371 -0.172 20 0 CBADLP [NH3+][C@H]1CCCN(C(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000876499987 584129618 /nfs/dbraw/zinc/12/96/18/584129618.db2.gz CHNHIMUMMCFWPG-QQHVMHFCSA-N 2 2 253.346 -0.176 20 0 CBADLP [NH3+]C1CCN(C(=O)/C=C/C[NH+]2CCOCC2)CC1 ZINC000876500880 584129656 /nfs/dbraw/zinc/12/96/56/584129656.db2.gz JRPXBQKBPKFMTC-OWOJBTEDSA-N 2 2 253.346 -0.176 20 0 CBADLP C[C@H](C(=O)N1CCC[C@H](C[NH3+])C1)N1CC[NH2+]CC1=O ZINC000876513709 584130435 /nfs/dbraw/zinc/13/04/35/584130435.db2.gz OYSJKMLUFVFUDP-GHMZBOCLSA-N 2 2 268.361 -0.996 20 0 CBADLP O=C(/C=C/C[NH+]1CCOCC1)NC[C@H]1CCC[NH2+]1 ZINC000876522178 584131012 /nfs/dbraw/zinc/13/10/12/584131012.db2.gz KGVZIXLJCYPBIA-FXMSTWTQSA-N 2 2 253.346 -0.257 20 0 CBADLP C[C@H]1CN(C(=O)/C=C/C[NH+]2CCOCC2)CC[NH2+]1 ZINC000876529041 584131476 /nfs/dbraw/zinc/13/14/76/584131476.db2.gz CZVWVQNCUOCRFD-JDGPPOGSSA-N 2 2 253.346 -0.305 20 0 CBADLP [NH3+]C[C@H]1CCCN1C(=O)/C=C/C[NH+]1CCOCC1 ZINC000876539185 584132170 /nfs/dbraw/zinc/13/21/70/584132170.db2.gz XXKXJOWTYGDFDA-FXMSTWTQSA-N 2 2 253.346 -0.176 20 0 CBADLP C[C@H](CNC(=O)[C@@H](N)C[NH+](C)C)Cn1cc[nH+]c1 ZINC000876730402 584141389 /nfs/dbraw/zinc/14/13/89/584141389.db2.gz FTZPEBQBCGJBQE-MNOVXSKESA-N 2 2 253.350 -0.476 20 0 CBADLP COC[C@]1(C(=O)NCCCCn2cc[nH+]c2)C[NH2+]CCO1 ZINC000876732517 584141747 /nfs/dbraw/zinc/14/17/47/584141747.db2.gz YCZAPVHHMJVNRS-AWEZNQCLSA-N 2 2 296.371 -0.216 20 0 CBADLP Cn1ncc(C[NH3+])c1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000876745278 584142164 /nfs/dbraw/zinc/14/21/64/584142164.db2.gz CAMJJELACVZXBW-UHFFFAOYSA-N 2 2 295.387 -0.281 20 0 CBADLP Cn1ncc(C[NH3+])c1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000876745278 584142167 /nfs/dbraw/zinc/14/21/67/584142167.db2.gz CAMJJELACVZXBW-UHFFFAOYSA-N 2 2 295.387 -0.281 20 0 CBADLP C[C@@H](NC(=O)c1c(C[NH3+])cnn1C)[C@@H](C)[NH+]1CCOCC1 ZINC000876756735 584142822 /nfs/dbraw/zinc/14/28/22/584142822.db2.gz XHMLGGRASZRDPN-GHMZBOCLSA-N 2 2 295.387 -0.282 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876754574 584142927 /nfs/dbraw/zinc/14/29/27/584142927.db2.gz SWGCQRVZMAXZIH-IJLUTSLNSA-N 2 2 273.352 -0.229 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876754574 584142929 /nfs/dbraw/zinc/14/29/29/584142929.db2.gz SWGCQRVZMAXZIH-IJLUTSLNSA-N 2 2 273.352 -0.229 20 0 CBADLP CN1CC[N@H+](C)[C@H](CNC(=O)/C=C\[C@@H]2CCC[NH2+]C2)C1 ZINC000876784085 584144510 /nfs/dbraw/zinc/14/45/10/584144510.db2.gz WKRISQISEIZFQB-MEWZEZIVSA-N 2 2 280.416 -0.096 20 0 CBADLP CN1CC[N@@H+](C)[C@H](CNC(=O)/C=C\[C@@H]2CCC[NH2+]C2)C1 ZINC000876784085 584144512 /nfs/dbraw/zinc/14/45/12/584144512.db2.gz WKRISQISEIZFQB-MEWZEZIVSA-N 2 2 280.416 -0.096 20 0 CBADLP [NH3+][C@@H](CNC(=O)/C=C\C[NH+]1CCOCC1)C1CC1 ZINC000876791860 584144819 /nfs/dbraw/zinc/14/48/19/584144819.db2.gz PRAAHSKKYYHPNL-BIOMNHJASA-N 2 2 253.346 -0.272 20 0 CBADLP [NH3+]C1(CNC(=O)/C=C/C[NH+]2CCOCC2)CCC1 ZINC000876798638 584145557 /nfs/dbraw/zinc/14/55/57/584145557.db2.gz KKYFADROPNURGS-HNQUOIGGSA-N 2 2 253.346 -0.128 20 0 CBADLP [NH3+]C1(CNC(=O)/C=C\C[NH+]2CCOCC2)CCC1 ZINC000876798639 584145571 /nfs/dbraw/zinc/14/55/71/584145571.db2.gz KKYFADROPNURGS-IWQZZHSRSA-N 2 2 253.346 -0.128 20 0 CBADLP COC[C@@]1(CNC(=O)/C=C/C[NH+]2CCOCC2)CCC[NH2+]1 ZINC000876849823 584149639 /nfs/dbraw/zinc/14/96/39/584149639.db2.gz ZIXHBEZDZTZXGV-OMDKTOEGSA-N 2 2 297.399 -0.240 20 0 CBADLP O=C(/C=C/C[NH+]1CCOCC1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000876859750 584150470 /nfs/dbraw/zinc/15/04/70/584150470.db2.gz ZVLMGIFXKAOBMS-KQICPDCUSA-N 2 2 251.330 -0.791 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876877549 584152186 /nfs/dbraw/zinc/15/21/86/584152186.db2.gz DHJOIIBMWPJLIN-NWDGAFQWSA-N 2 2 273.352 -0.275 20 0 CBADLP [NH3+]C[C@@H]1CN(C(=O)/C=C/C[NH+]2CCOCC2)CCCO1 ZINC000876920405 584155611 /nfs/dbraw/zinc/15/56/11/584155611.db2.gz QJBPLOMUHCVUDV-KNVIWWDSSA-N 2 2 283.372 -0.549 20 0 CBADLP [NH3+]C[C@H]1CN(C(=O)/C=C/C[NH+]2CCOCC2)CCCO1 ZINC000876920403 584155712 /nfs/dbraw/zinc/15/57/12/584155712.db2.gz QJBPLOMUHCVUDV-CHWPNHQFSA-N 2 2 283.372 -0.549 20 0 CBADLP C[C@H](C(=O)N1CC[C@@]2(CCC[NH2+]2)C1)N1CC[NH2+]CC1=O ZINC000876925087 584156011 /nfs/dbraw/zinc/15/60/11/584156011.db2.gz TUTJTFJRWYUBEG-RISCZKNCSA-N 2 2 280.372 -0.839 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876960509 584158437 /nfs/dbraw/zinc/15/84/37/584158437.db2.gz FFIUIFRHOUJFRC-CHWSQXEVSA-N 3 2 288.411 -0.066 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876960509 584158439 /nfs/dbraw/zinc/15/84/39/584158439.db2.gz FFIUIFRHOUJFRC-CHWSQXEVSA-N 3 2 288.411 -0.066 20 0 CBADLP C[NH2+]CCOCCNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000877024047 584161951 /nfs/dbraw/zinc/16/19/51/584161951.db2.gz OXXXYIYAEHIANZ-NSCUHMNNSA-N 2 2 271.361 -0.773 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000877034189 584162753 /nfs/dbraw/zinc/16/27/53/584162753.db2.gz AZTKKUSPKZNXHY-GRYCIOLGSA-N 2 2 255.362 -0.049 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000877034189 584162754 /nfs/dbraw/zinc/16/27/54/584162754.db2.gz AZTKKUSPKZNXHY-GRYCIOLGSA-N 2 2 255.362 -0.049 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000877036776 584163002 /nfs/dbraw/zinc/16/30/02/584163002.db2.gz VIEZPZNOUSNIKA-NEPJUHHUSA-N 2 2 271.361 -0.798 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000877036776 584163003 /nfs/dbraw/zinc/16/30/03/584163003.db2.gz VIEZPZNOUSNIKA-NEPJUHHUSA-N 2 2 271.361 -0.798 20 0 CBADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000877111602 584166765 /nfs/dbraw/zinc/16/67/65/584166765.db2.gz LDUXGBMJPRGBKN-ZZVHHRJTSA-N 2 2 253.346 -0.259 20 0 CBADLP CC1(C)CC[C@@H](CNC(=O)CN2CC[NH2+]CC2=O)[NH2+]C1 ZINC000877158601 584168433 /nfs/dbraw/zinc/16/84/33/584168433.db2.gz VKNDWSBMTGPTLO-NSHDSACASA-N 2 2 282.388 -0.687 20 0 CBADLP O=C(c1n[nH]c2c1C[NH2+]CC2)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877170492 584168948 /nfs/dbraw/zinc/16/89/48/584168948.db2.gz OZLAZRCUJQCKKL-DTORHVGOSA-N 2 2 261.329 -0.368 20 0 CBADLP C[C@@H](C(=O)N1C2CCC1(C[NH3+])CC2)N1CC[NH2+]CC1=O ZINC000877184176 584169649 /nfs/dbraw/zinc/16/96/49/584169649.db2.gz LGSDYLAMBBGHDI-IFQILLTASA-N 2 2 280.372 -0.711 20 0 CBADLP CC[NH2+]CC(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000877220837 584170852 /nfs/dbraw/zinc/17/08/52/584170852.db2.gz KQGREYQPJMCSJD-UHFFFAOYSA-N 2 2 277.372 -0.227 20 0 CBADLP [NH3+][C@H]1C[C@H](CNC(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000877244748 584171914 /nfs/dbraw/zinc/17/19/14/584171914.db2.gz MVRORTXYOYVPRG-QDZDSHPKSA-N 2 2 253.346 -0.272 20 0 CBADLP C[C@H](C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1)N1CC[NH2+]CC1=O ZINC000877249744 584172532 /nfs/dbraw/zinc/17/25/32/584172532.db2.gz LOHONXAFIAHLSU-JHJVBQTASA-N 2 2 294.399 -0.641 20 0 CBADLP C[C@H](C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1)N1CC[NH2+]CC1=O ZINC000877249744 584172534 /nfs/dbraw/zinc/17/25/34/584172534.db2.gz LOHONXAFIAHLSU-JHJVBQTASA-N 2 2 294.399 -0.641 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877276189 584175536 /nfs/dbraw/zinc/17/55/36/584175536.db2.gz DGSPULRZSWBUKN-QWHCGFSZSA-N 2 2 296.415 -0.204 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877276189 584175538 /nfs/dbraw/zinc/17/55/38/584175538.db2.gz DGSPULRZSWBUKN-QWHCGFSZSA-N 2 2 296.415 -0.204 20 0 CBADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)COCC[NH3+] ZINC000877433367 584181055 /nfs/dbraw/zinc/18/10/55/584181055.db2.gz QCARJZOUSGLLGO-NSHDSACASA-N 2 2 259.350 -0.811 20 0 CBADLP CC[C@H]1COCC[N@H+]1CCNC(=O)COCC[NH3+] ZINC000877433367 584181058 /nfs/dbraw/zinc/18/10/58/584181058.db2.gz QCARJZOUSGLLGO-NSHDSACASA-N 2 2 259.350 -0.811 20 0 CBADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)c1cn(CC[NH3+])nn1 ZINC000877434634 584181950 /nfs/dbraw/zinc/18/19/50/584181950.db2.gz TVTYWNNIDLUXMD-NSHDSACASA-N 2 2 296.375 -0.923 20 0 CBADLP CC[C@H]1COCC[N@H+]1CCNC(=O)c1cn(CC[NH3+])nn1 ZINC000877434634 584181952 /nfs/dbraw/zinc/18/19/52/584181952.db2.gz TVTYWNNIDLUXMD-NSHDSACASA-N 2 2 296.375 -0.923 20 0 CBADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000877434536 584181984 /nfs/dbraw/zinc/18/19/84/584181984.db2.gz RWPRJKLHLCIHBQ-FRRDWIJNSA-N 2 2 285.388 -0.423 20 0 CBADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000877434536 584181986 /nfs/dbraw/zinc/18/19/86/584181986.db2.gz RWPRJKLHLCIHBQ-FRRDWIJNSA-N 2 2 285.388 -0.423 20 0 CBADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000877434563 584182094 /nfs/dbraw/zinc/18/20/94/584182094.db2.gz SHWFYWWMDUCGPY-GRYCIOLGSA-N 2 2 271.361 -0.670 20 0 CBADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000877434563 584182096 /nfs/dbraw/zinc/18/20/96/584182096.db2.gz SHWFYWWMDUCGPY-GRYCIOLGSA-N 2 2 271.361 -0.670 20 0 CBADLP C[C@H](C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C)N1CC[NH2+]CC1=O ZINC000877451447 584182221 /nfs/dbraw/zinc/18/22/21/584182221.db2.gz MGTSVCCXQMHNBC-JHJVBQTASA-N 2 2 294.399 -0.498 20 0 CBADLP C[C@H](C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2C)N1CC[NH2+]CC1=O ZINC000877451447 584182223 /nfs/dbraw/zinc/18/22/23/584182223.db2.gz MGTSVCCXQMHNBC-JHJVBQTASA-N 2 2 294.399 -0.498 20 0 CBADLP C[NH+](C)CC(=O)N1CC[NH+](C[C@@H](O)CC(C)(C)O)CC1 ZINC000877958964 584188931 /nfs/dbraw/zinc/18/89/31/584188931.db2.gz QHGPCBNLBKBAKW-LBPRGKRZSA-N 2 2 287.404 -0.786 20 0 CBADLP C[NH+]1CCC(NC(=O)C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000877982539 584189637 /nfs/dbraw/zinc/18/96/37/584189637.db2.gz WNGKVBFETFKRHD-RYUDHWBXSA-N 3 2 266.389 -0.652 20 0 CBADLP CN1CC[C@@H]([N@H+](C)CC(=O)NC2CC[NH+](C)CC2)C1=O ZINC000878122232 584193671 /nfs/dbraw/zinc/19/36/71/584193671.db2.gz ZHPNBGDZPDFQTD-GFCCVEGCSA-N 2 2 282.388 -0.641 20 0 CBADLP CN1CC[C@@H]([N@@H+](C)CC(=O)NC2CC[NH+](C)CC2)C1=O ZINC000878122232 584193674 /nfs/dbraw/zinc/19/36/74/584193674.db2.gz ZHPNBGDZPDFQTD-GFCCVEGCSA-N 2 2 282.388 -0.641 20 0 CBADLP C[C@@H]1C[NH+]=C(N2CC[NH+](CCc3nnnn3C)CC2)S1 ZINC000878266342 584198039 /nfs/dbraw/zinc/19/80/39/584198039.db2.gz UOKGNWRYZIKVKB-SNVBAGLBSA-N 2 2 295.416 -0.139 20 0 CBADLP C[NH+]1CCC(NC(=O)C[N@@H+]2CCc3n[nH]cc3C2)CC1 ZINC000878311365 584199117 /nfs/dbraw/zinc/19/91/17/584199117.db2.gz JNIVEJXEJOAFSA-UHFFFAOYSA-N 2 2 277.372 -0.022 20 0 CBADLP C[NH+]1CCC(NC(=O)C[N@H+]2CCc3n[nH]cc3C2)CC1 ZINC000878311365 584199120 /nfs/dbraw/zinc/19/91/20/584199120.db2.gz JNIVEJXEJOAFSA-UHFFFAOYSA-N 2 2 277.372 -0.022 20 0 CBADLP C[NH+]1CCC(NC(=O)C[N@@H+]2CCSC[C@H]2CO)CC1 ZINC000878328064 584200089 /nfs/dbraw/zinc/20/00/89/584200089.db2.gz ZQNXHEOLUDPIHC-GFCCVEGCSA-N 2 2 287.429 -0.394 20 0 CBADLP C[NH+]1CCC(NC(=O)C[N@H+]2CCSC[C@H]2CO)CC1 ZINC000878328064 584200090 /nfs/dbraw/zinc/20/00/90/584200090.db2.gz ZQNXHEOLUDPIHC-GFCCVEGCSA-N 2 2 287.429 -0.394 20 0 CBADLP Cn1nnnc1CC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000878516018 584206588 /nfs/dbraw/zinc/20/65/88/584206588.db2.gz AWABACQZRKNYFG-UHFFFAOYSA-N 2 2 262.321 -0.702 20 0 CBADLP Cn1nnnc1CC[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000878560089 584208680 /nfs/dbraw/zinc/20/86/80/584208680.db2.gz YPOOWJZDDAMYHD-CYBMUJFWSA-N 2 2 294.403 -0.203 20 0 CBADLP Cn1nnnc1CC[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000878560089 584208683 /nfs/dbraw/zinc/20/86/83/584208683.db2.gz YPOOWJZDDAMYHD-CYBMUJFWSA-N 2 2 294.403 -0.203 20 0 CBADLP C[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000878680911 584213731 /nfs/dbraw/zinc/21/37/31/584213731.db2.gz XXMBSOYFWGLNFG-LLVKDONJSA-N 2 2 268.361 -0.854 20 0 CBADLP C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000878680911 584213733 /nfs/dbraw/zinc/21/37/33/584213733.db2.gz XXMBSOYFWGLNFG-LLVKDONJSA-N 2 2 268.361 -0.854 20 0 CBADLP C[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H](CO)OC(C)(C)C2)CC1 ZINC000878721635 584215691 /nfs/dbraw/zinc/21/56/91/584215691.db2.gz XWSAKISQFTUFKX-CYBMUJFWSA-N 2 2 299.415 -0.332 20 0 CBADLP C[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](CO)OC(C)(C)C2)CC1 ZINC000878721635 584215693 /nfs/dbraw/zinc/21/56/93/584215693.db2.gz XWSAKISQFTUFKX-CYBMUJFWSA-N 2 2 299.415 -0.332 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC([C@H](F)C(N)=O)CC1 ZINC000879043155 584224769 /nfs/dbraw/zinc/22/47/69/584224769.db2.gz FSZZMDVCWUQWTI-NEPJUHHUSA-N 2 2 275.368 -0.166 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC([C@H](F)C(N)=O)CC1 ZINC000879043155 584224770 /nfs/dbraw/zinc/22/47/70/584224770.db2.gz FSZZMDVCWUQWTI-NEPJUHHUSA-N 2 2 275.368 -0.166 20 0 CBADLP C[N@H+](CCCN1CCOC1=O)CC(=O)N1CC[NH+](C)CC1 ZINC000879353903 584233096 /nfs/dbraw/zinc/23/30/96/584233096.db2.gz AAKPWTAODCUAAM-UHFFFAOYSA-N 2 2 298.387 -0.466 20 0 CBADLP C[N@@H+](CCCN1CCOC1=O)CC(=O)N1CC[NH+](C)CC1 ZINC000879353903 584233098 /nfs/dbraw/zinc/23/30/98/584233098.db2.gz AAKPWTAODCUAAM-UHFFFAOYSA-N 2 2 298.387 -0.466 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@]2(CC(C(=O)OC)=NO2)C1 ZINC000879490809 584237550 /nfs/dbraw/zinc/23/75/50/584237550.db2.gz XDCDKELDIRFQQT-RISCZKNCSA-N 2 2 299.371 -0.307 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@]2(CC(C(=O)OC)=NO2)C1 ZINC000879490809 584237552 /nfs/dbraw/zinc/23/75/52/584237552.db2.gz XDCDKELDIRFQQT-RISCZKNCSA-N 2 2 299.371 -0.307 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@]2(CC(C(=O)OC)=NO2)C1 ZINC000879490809 584237555 /nfs/dbraw/zinc/23/75/55/584237555.db2.gz XDCDKELDIRFQQT-RISCZKNCSA-N 2 2 299.371 -0.307 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@]2(CC(C(=O)OC)=NO2)C1 ZINC000879490809 584237557 /nfs/dbraw/zinc/23/75/57/584237557.db2.gz XDCDKELDIRFQQT-RISCZKNCSA-N 2 2 299.371 -0.307 20 0 CBADLP CN1C(=O)[C@H]2C[N@H+](CCCn3cc[nH+]c3)C[C@H]2C1=O ZINC000879534583 584239232 /nfs/dbraw/zinc/23/92/32/584239232.db2.gz SUDNZHFKNFDMKM-PHIMTYICSA-N 2 2 262.313 -0.180 20 0 CBADLP CN1C(=O)[C@H]2C[N@@H+](CCCn3cc[nH+]c3)C[C@H]2C1=O ZINC000879534583 584239233 /nfs/dbraw/zinc/23/92/33/584239233.db2.gz SUDNZHFKNFDMKM-PHIMTYICSA-N 2 2 262.313 -0.180 20 0 CBADLP C[N@@H+]1CC[C@@H]2C[NH+](CCN3C(=O)CNC3=O)CC[C@@H]21 ZINC000879571812 584241094 /nfs/dbraw/zinc/24/10/94/584241094.db2.gz CIRFYVZTXLTYOP-MNOVXSKESA-N 2 2 266.345 -0.436 20 0 CBADLP C[N@H+]1CC[C@@H]2C[NH+](CCN3C(=O)CNC3=O)CC[C@@H]21 ZINC000879571812 584241095 /nfs/dbraw/zinc/24/10/95/584241095.db2.gz CIRFYVZTXLTYOP-MNOVXSKESA-N 2 2 266.345 -0.436 20 0 CBADLP C[NH+]1CC[C@@H]2C[N@H+](CCN3C(=O)CNC3=O)CC[C@@H]21 ZINC000879571812 584241097 /nfs/dbraw/zinc/24/10/97/584241097.db2.gz CIRFYVZTXLTYOP-MNOVXSKESA-N 2 2 266.345 -0.436 20 0 CBADLP C[NH+]1CC[C@@H]2C[N@@H+](CCN3C(=O)CNC3=O)CC[C@@H]21 ZINC000879571812 584241098 /nfs/dbraw/zinc/24/10/98/584241098.db2.gz CIRFYVZTXLTYOP-MNOVXSKESA-N 2 2 266.345 -0.436 20 0 CBADLP CCS(=O)(=O)NCC[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879572119 584241467 /nfs/dbraw/zinc/24/14/67/584241467.db2.gz FKQPJPAGSOYUMW-VXGBXAGGSA-N 2 2 275.418 -0.048 20 0 CBADLP CCS(=O)(=O)NCC[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879572119 584241468 /nfs/dbraw/zinc/24/14/68/584241468.db2.gz FKQPJPAGSOYUMW-VXGBXAGGSA-N 2 2 275.418 -0.048 20 0 CBADLP CCS(=O)(=O)NCC[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879572119 584241470 /nfs/dbraw/zinc/24/14/70/584241470.db2.gz FKQPJPAGSOYUMW-VXGBXAGGSA-N 2 2 275.418 -0.048 20 0 CBADLP CCS(=O)(=O)NCC[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879572119 584241471 /nfs/dbraw/zinc/24/14/71/584241471.db2.gz FKQPJPAGSOYUMW-VXGBXAGGSA-N 2 2 275.418 -0.048 20 0 CBADLP Cn1c(C[N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)cc(=O)n(C)c1=O ZINC000879571141 584241499 /nfs/dbraw/zinc/24/14/99/584241499.db2.gz ICQKSGLQZCXBOS-YPMHNXCESA-N 2 2 292.383 -0.390 20 0 CBADLP Cn1c(C[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)cc(=O)n(C)c1=O ZINC000879571141 584241500 /nfs/dbraw/zinc/24/15/00/584241500.db2.gz ICQKSGLQZCXBOS-YPMHNXCESA-N 2 2 292.383 -0.390 20 0 CBADLP Cn1c(C[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)cc(=O)n(C)c1=O ZINC000879571141 584241501 /nfs/dbraw/zinc/24/15/01/584241501.db2.gz ICQKSGLQZCXBOS-YPMHNXCESA-N 2 2 292.383 -0.390 20 0 CBADLP Cn1c(C[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)cc(=O)n(C)c1=O ZINC000879571141 584241503 /nfs/dbraw/zinc/24/15/03/584241503.db2.gz ICQKSGLQZCXBOS-YPMHNXCESA-N 2 2 292.383 -0.390 20 0 CBADLP C[N@@H+]1CC[C@@H]2C[NH+](CCN3C(=O)CNC3=O)CC[C@H]21 ZINC000879571811 584241508 /nfs/dbraw/zinc/24/15/08/584241508.db2.gz CIRFYVZTXLTYOP-GHMZBOCLSA-N 2 2 266.345 -0.436 20 0 CBADLP C[N@H+]1CC[C@@H]2C[NH+](CCN3C(=O)CNC3=O)CC[C@H]21 ZINC000879571811 584241509 /nfs/dbraw/zinc/24/15/09/584241509.db2.gz CIRFYVZTXLTYOP-GHMZBOCLSA-N 2 2 266.345 -0.436 20 0 CBADLP C[NH+]1CC[C@@H]2C[N@H+](CCN3C(=O)CNC3=O)CC[C@H]21 ZINC000879571811 584241511 /nfs/dbraw/zinc/24/15/11/584241511.db2.gz CIRFYVZTXLTYOP-GHMZBOCLSA-N 2 2 266.345 -0.436 20 0 CBADLP C[NH+]1CC[C@@H]2C[N@@H+](CCN3C(=O)CNC3=O)CC[C@H]21 ZINC000879571811 584241512 /nfs/dbraw/zinc/24/15/12/584241512.db2.gz CIRFYVZTXLTYOP-GHMZBOCLSA-N 2 2 266.345 -0.436 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879572802 584241517 /nfs/dbraw/zinc/24/15/17/584241517.db2.gz RPGZBOLHLNPJTA-OPRDCNLKSA-N 2 2 254.334 -0.404 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879572802 584241519 /nfs/dbraw/zinc/24/15/19/584241519.db2.gz RPGZBOLHLNPJTA-OPRDCNLKSA-N 2 2 254.334 -0.404 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879572802 584241520 /nfs/dbraw/zinc/24/15/20/584241520.db2.gz RPGZBOLHLNPJTA-OPRDCNLKSA-N 2 2 254.334 -0.404 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879572802 584241522 /nfs/dbraw/zinc/24/15/22/584241522.db2.gz RPGZBOLHLNPJTA-OPRDCNLKSA-N 2 2 254.334 -0.404 20 0 CBADLP C[C@@H]1NC(=O)N(CC[N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)C1=O ZINC000879580123 584241683 /nfs/dbraw/zinc/24/16/83/584241683.db2.gz RRKZFOZGUSHZGW-TUAOUCFPSA-N 2 2 280.372 -0.047 20 0 CBADLP C[C@@H]1NC(=O)N(CC[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)C1=O ZINC000879580123 584241684 /nfs/dbraw/zinc/24/16/84/584241684.db2.gz RRKZFOZGUSHZGW-TUAOUCFPSA-N 2 2 280.372 -0.047 20 0 CBADLP C[C@@H]1NC(=O)N(CC[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)C1=O ZINC000879580123 584241685 /nfs/dbraw/zinc/24/16/85/584241685.db2.gz RRKZFOZGUSHZGW-TUAOUCFPSA-N 2 2 280.372 -0.047 20 0 CBADLP C[C@@H]1NC(=O)N(CC[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)C1=O ZINC000879580123 584241686 /nfs/dbraw/zinc/24/16/86/584241686.db2.gz RRKZFOZGUSHZGW-TUAOUCFPSA-N 2 2 280.372 -0.047 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2C[C@H](CO)[C@H](CO)C2)CC1 ZINC000879693107 584245068 /nfs/dbraw/zinc/24/50/68/584245068.db2.gz ZDMOLJBWDUSVHV-MCIONIFRSA-N 2 2 299.415 -0.928 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2C[C@H](CO)[C@H](CO)C2)CC1 ZINC000879693107 584245070 /nfs/dbraw/zinc/24/50/70/584245070.db2.gz ZDMOLJBWDUSVHV-MCIONIFRSA-N 2 2 299.415 -0.928 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]2CCNC(=O)[C@@H]21 ZINC000880523613 584276922 /nfs/dbraw/zinc/27/69/22/584276922.db2.gz JFLXBGLEHVNUSY-RWMBFGLXSA-N 2 2 269.389 -0.101 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]2CCNC(=O)[C@@H]21 ZINC000880523613 584276923 /nfs/dbraw/zinc/27/69/23/584276923.db2.gz JFLXBGLEHVNUSY-RWMBFGLXSA-N 2 2 269.389 -0.101 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]2CCNC(=O)[C@@H]21 ZINC000880523613 584276924 /nfs/dbraw/zinc/27/69/24/584276924.db2.gz JFLXBGLEHVNUSY-RWMBFGLXSA-N 2 2 269.389 -0.101 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]2CCNC(=O)[C@@H]21 ZINC000880523613 584276925 /nfs/dbraw/zinc/27/69/25/584276925.db2.gz JFLXBGLEHVNUSY-RWMBFGLXSA-N 2 2 269.389 -0.101 20 0 CBADLP COC(=O)[C@]1(O)CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000880564546 584281019 /nfs/dbraw/zinc/28/10/19/584281019.db2.gz AWIGNUOULBJWHE-YPMHNXCESA-N 2 2 274.361 -0.703 20 0 CBADLP COC(=O)[C@]1(O)CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000880564546 584281020 /nfs/dbraw/zinc/28/10/20/584281020.db2.gz AWIGNUOULBJWHE-YPMHNXCESA-N 2 2 274.361 -0.703 20 0 CBADLP COC(=O)[C@]1(O)CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C1 ZINC000880564546 584281022 /nfs/dbraw/zinc/28/10/22/584281022.db2.gz AWIGNUOULBJWHE-YPMHNXCESA-N 2 2 274.361 -0.703 20 0 CBADLP COC(=O)[C@]1(O)CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000880564546 584281024 /nfs/dbraw/zinc/28/10/24/584281024.db2.gz AWIGNUOULBJWHE-YPMHNXCESA-N 2 2 274.361 -0.703 20 0 CBADLP COC(=O)[C@@]1(O)CC[N@H+](Cc2cc[nH+]c(N)c2)C1 ZINC000880567116 584282063 /nfs/dbraw/zinc/28/20/63/584282063.db2.gz VZAATUXFUIHFFH-GFCCVEGCSA-N 2 2 251.286 -0.226 20 0 CBADLP COC(=O)[C@@]1(O)CC[N@@H+](Cc2cc[nH+]c(N)c2)C1 ZINC000880567116 584282064 /nfs/dbraw/zinc/28/20/64/584282064.db2.gz VZAATUXFUIHFFH-GFCCVEGCSA-N 2 2 251.286 -0.226 20 0 CBADLP CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC000882488898 584319069 /nfs/dbraw/zinc/31/90/69/584319069.db2.gz XGMAHASSFCWPGZ-VXGBXAGGSA-N 2 2 255.362 -0.083 20 0 CBADLP CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC000882488898 584319071 /nfs/dbraw/zinc/31/90/71/584319071.db2.gz XGMAHASSFCWPGZ-VXGBXAGGSA-N 2 2 255.362 -0.083 20 0 CBADLP CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000882488898 584319072 /nfs/dbraw/zinc/31/90/72/584319072.db2.gz XGMAHASSFCWPGZ-VXGBXAGGSA-N 2 2 255.362 -0.083 20 0 CBADLP CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000882488898 584319074 /nfs/dbraw/zinc/31/90/74/584319074.db2.gz XGMAHASSFCWPGZ-VXGBXAGGSA-N 2 2 255.362 -0.083 20 0 CBADLP CN(C)c1cc[nH+]c(NCC[N@@H+](C)CCOCCO)n1 ZINC000882951426 584334758 /nfs/dbraw/zinc/33/47/58/584334758.db2.gz DFLURYTXHMXUPV-UHFFFAOYSA-N 2 2 283.376 -0.105 20 0 CBADLP CC[N@@H+]1CC[C@@H]1CNC(=O)NCC[NH+]1CCOCC1 ZINC000883040980 584336670 /nfs/dbraw/zinc/33/66/70/584336670.db2.gz UUSQSQQMYGXMFZ-GFCCVEGCSA-N 2 2 270.377 -0.288 20 0 CBADLP CC[N@H+]1CC[C@@H]1CNC(=O)NCC[NH+]1CCOCC1 ZINC000883040980 584336672 /nfs/dbraw/zinc/33/66/72/584336672.db2.gz UUSQSQQMYGXMFZ-GFCCVEGCSA-N 2 2 270.377 -0.288 20 0 CBADLP COC[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)[C@H]1CCCOC1 ZINC000883180314 584338953 /nfs/dbraw/zinc/33/89/53/584338953.db2.gz ABGDDWNNSCJTPC-UONOGXRCSA-N 2 2 299.415 -0.208 20 0 CBADLP C[N@H+](CC[NH2+]C[C@@H]1CCCOC1)CCOCCO ZINC000883348717 584340228 /nfs/dbraw/zinc/34/02/28/584340228.db2.gz AYABLSLFYLFEPF-ZDUSSCGKSA-N 2 2 260.378 -0.057 20 0 CBADLP C[N@@H+](CC[NH2+]C[C@@H]1CCCOC1)CCOCCO ZINC000883348717 584340230 /nfs/dbraw/zinc/34/02/30/584340230.db2.gz AYABLSLFYLFEPF-ZDUSSCGKSA-N 2 2 260.378 -0.057 20 0 CBADLP C[C@@H]1COCC[C@@H]1[NH2+]CC[N@H+](C)CCOCCO ZINC000883351308 584340510 /nfs/dbraw/zinc/34/05/10/584340510.db2.gz CESZNSNPJTWVHT-OLZOCXBDSA-N 2 2 260.378 -0.058 20 0 CBADLP C[C@@H]1COCC[C@@H]1[NH2+]CC[N@@H+](C)CCOCCO ZINC000883351308 584340511 /nfs/dbraw/zinc/34/05/11/584340511.db2.gz CESZNSNPJTWVHT-OLZOCXBDSA-N 2 2 260.378 -0.058 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2CCCC[C@@H]2C[NH2+]C)CC1 ZINC000883644760 584345760 /nfs/dbraw/zinc/34/57/60/584345760.db2.gz RAONDXLEVFVIHY-CYBMUJFWSA-N 2 2 296.415 -0.249 20 0 CBADLP Cc1cn(C(C)(C)C(=O)NCCN2CC[NH2+]CC2)c[nH+]1 ZINC000884014945 584355561 /nfs/dbraw/zinc/35/55/61/584355561.db2.gz CHVGHZURDUBFEQ-UHFFFAOYSA-N 2 2 279.388 -0.052 20 0 CBADLP C[C@H](CNC(=O)[C@H]1C[NH2+]CC1(C)C)[NH+]1CCN(C)CC1 ZINC000884234951 584368917 /nfs/dbraw/zinc/36/89/17/584368917.db2.gz IVCZNRPKTRULKK-CHWSQXEVSA-N 2 2 282.432 -0.016 20 0 CBADLP COCC[C@H]([NH3+])C(=O)N(C)CC[NH+]1CCOCC1 ZINC000884308918 584373486 /nfs/dbraw/zinc/37/34/86/584373486.db2.gz HEWLOJJRIYNCMP-NSHDSACASA-N 2 2 259.350 -0.859 20 0 CBADLP Cn1nc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1N ZINC000884401419 584379348 /nfs/dbraw/zinc/37/93/48/584379348.db2.gz PHXIGWXSFYCVEP-UHFFFAOYSA-N 2 2 282.392 -0.384 20 0 CBADLP Cn1nc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1N ZINC000884401419 584379350 /nfs/dbraw/zinc/37/93/50/584379350.db2.gz PHXIGWXSFYCVEP-UHFFFAOYSA-N 2 2 282.392 -0.384 20 0 CBADLP CCc1nc(NC[C@]2(CO)COCC[NH2+]2)cc[nH+]1 ZINC000884581221 584388792 /nfs/dbraw/zinc/38/87/92/584388792.db2.gz XHUBVJLHZYQSNA-LBPRGKRZSA-N 2 2 252.318 -0.198 20 0 CBADLP CCc1nc(NC[C@@]2(CO)COCC[NH2+]2)cc[nH+]1 ZINC000884581220 584388839 /nfs/dbraw/zinc/38/88/39/584388839.db2.gz XHUBVJLHZYQSNA-GFCCVEGCSA-N 2 2 252.318 -0.198 20 0 CBADLP CCC1([NH3+])CCN(C(=O)C(=O)NCc2[nH+]ccn2C)CC1 ZINC000884630042 584391924 /nfs/dbraw/zinc/39/19/24/584391924.db2.gz UXCBSRKFNSYMHR-UHFFFAOYSA-N 2 2 293.371 -0.234 20 0 CBADLP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000884651645 584392978 /nfs/dbraw/zinc/39/29/78/584392978.db2.gz VDTSJGAGYHHSIX-QWRGUYRKSA-N 2 2 279.344 -0.663 20 0 CBADLP C[NH2+]CCNC(=O)C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000884686674 584396460 /nfs/dbraw/zinc/39/64/60/584396460.db2.gz SJVQTDGYPMFUMS-CYBMUJFWSA-N 2 2 290.367 -0.375 20 0 CBADLP C[NH2+]CCNC(=O)C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000884686674 584396461 /nfs/dbraw/zinc/39/64/61/584396461.db2.gz SJVQTDGYPMFUMS-CYBMUJFWSA-N 2 2 290.367 -0.375 20 0 CBADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000884688473 584396835 /nfs/dbraw/zinc/39/68/35/584396835.db2.gz DXULVTOWQKNFCQ-VIFPVBQESA-N 2 2 265.317 -0.764 20 0 CBADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000884688472 584396933 /nfs/dbraw/zinc/39/69/33/584396933.db2.gz DXULVTOWQKNFCQ-SECBINFHSA-N 2 2 265.317 -0.764 20 0 CBADLP C[C@H](C[NH3+])NC(=O)C(=O)N1CCN(C)c2[nH+]cccc2C1 ZINC000884704854 584399209 /nfs/dbraw/zinc/39/92/09/584399209.db2.gz WATOKLRSUPFDNK-SNVBAGLBSA-N 2 2 291.355 -0.677 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3[C@H]2CCC[NH+]3CCO)C1 ZINC000889766797 584536156 /nfs/dbraw/zinc/53/61/56/584536156.db2.gz DAAVWQYOBYUCRI-MJBXVCDLSA-N 2 2 297.399 -0.625 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3[C@H]2CCC[NH+]3CCO)C1 ZINC000889766797 584536158 /nfs/dbraw/zinc/53/61/58/584536158.db2.gz DAAVWQYOBYUCRI-MJBXVCDLSA-N 2 2 297.399 -0.625 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)C1 ZINC000889766797 584536160 /nfs/dbraw/zinc/53/61/60/584536160.db2.gz DAAVWQYOBYUCRI-MJBXVCDLSA-N 2 2 297.399 -0.625 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)C1 ZINC000889766797 584536161 /nfs/dbraw/zinc/53/61/61/584536161.db2.gz DAAVWQYOBYUCRI-MJBXVCDLSA-N 2 2 297.399 -0.625 20 0 CBADLP Cn1c[nH+]c(CNC(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)c1 ZINC000890104255 584543363 /nfs/dbraw/zinc/54/33/63/584543363.db2.gz WVGQKCGSEIPPGG-CMPLNLGQSA-N 2 2 252.318 -0.509 20 0 CBADLP Cn1c[nH+]c(CNC(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)c1 ZINC000890104255 584543364 /nfs/dbraw/zinc/54/33/64/584543364.db2.gz WVGQKCGSEIPPGG-CMPLNLGQSA-N 2 2 252.318 -0.509 20 0 CBADLP Cn1c[nH+]c(CNC(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)c1 ZINC000890104274 584543375 /nfs/dbraw/zinc/54/33/75/584543375.db2.gz WVGQKCGSEIPPGG-PWSUYJOCSA-N 2 2 252.318 -0.509 20 0 CBADLP Cn1c[nH+]c(CNC(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)c1 ZINC000890104274 584543377 /nfs/dbraw/zinc/54/33/77/584543377.db2.gz WVGQKCGSEIPPGG-PWSUYJOCSA-N 2 2 252.318 -0.509 20 0 CBADLP Cn1c[nH+]c(CNC(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)c1 ZINC000890104277 584543476 /nfs/dbraw/zinc/54/34/76/584543476.db2.gz WVGQKCGSEIPPGG-ZYHUDNBSSA-N 2 2 252.318 -0.509 20 0 CBADLP Cn1c[nH+]c(CNC(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)c1 ZINC000890104277 584543479 /nfs/dbraw/zinc/54/34/79/584543479.db2.gz WVGQKCGSEIPPGG-ZYHUDNBSSA-N 2 2 252.318 -0.509 20 0 CBADLP Cn1c[nH+]c(CNC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)c1 ZINC000890109971 584543907 /nfs/dbraw/zinc/54/39/07/584543907.db2.gz UPVULKIHSQXTTP-LBPRGKRZSA-N 2 2 263.345 -0.574 20 0 CBADLP Cn1c[nH+]c(CNC(=O)[C@@H]2C[N@H+]3CCN2CCC3)c1 ZINC000890109971 584543910 /nfs/dbraw/zinc/54/39/10/584543910.db2.gz UPVULKIHSQXTTP-LBPRGKRZSA-N 2 2 263.345 -0.574 20 0 CBADLP Cn1c[nH+]c(CNC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)c1 ZINC000890113771 584543942 /nfs/dbraw/zinc/54/39/42/584543942.db2.gz PFNNNBFJTZUHEH-LLVKDONJSA-N 2 2 293.371 -0.554 20 0 CBADLP CC[C@@H](CO)Nc1cc(N2CC[NH+](CCO)CC2)nc[nH+]1 ZINC000891433027 584581607 /nfs/dbraw/zinc/58/16/07/584581607.db2.gz AGQWUPZRVLQROH-LBPRGKRZSA-N 2 2 295.387 -0.226 20 0 CBADLP CNC(=O)C[NH+]1CCN(c2cc[nH+]cc2CO)CC1 ZINC000891563709 584586281 /nfs/dbraw/zinc/58/62/81/584586281.db2.gz BXYQMOPEAWINPW-UHFFFAOYSA-N 2 2 264.329 -0.558 20 0 CBADLP CCNC(=O)C[NH+]1CCN(c2nccn3c[nH+]cc23)CC1 ZINC000891702849 584590453 /nfs/dbraw/zinc/59/04/53/584590453.db2.gz WYKVAZVEKXACNM-UHFFFAOYSA-N 2 2 288.355 -0.013 20 0 CBADLP C[C@H]1C[C@H]([NH3+])CN1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000891858175 584593295 /nfs/dbraw/zinc/59/32/95/584593295.db2.gz LJLGOEKOUURSCA-RYUDHWBXSA-N 2 2 282.388 -0.018 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000892287554 584612385 /nfs/dbraw/zinc/61/23/85/584612385.db2.gz PIDLNAGZLKYUER-OBJOEFQTSA-N 2 2 282.388 -0.099 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000892287554 584612387 /nfs/dbraw/zinc/61/23/87/584612387.db2.gz PIDLNAGZLKYUER-OBJOEFQTSA-N 2 2 282.388 -0.099 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)NCCC(C)(C)[NH3+] ZINC000892287294 584612399 /nfs/dbraw/zinc/61/23/99/584612399.db2.gz JMXWMUJAQQHWNY-SNVBAGLBSA-N 2 2 258.366 -0.256 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)NCCC(C)(C)[NH3+] ZINC000892287294 584612401 /nfs/dbraw/zinc/61/24/01/584612401.db2.gz JMXWMUJAQQHWNY-SNVBAGLBSA-N 2 2 258.366 -0.256 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000892287171 584612412 /nfs/dbraw/zinc/61/24/12/584612412.db2.gz IGYIFDABXMTPFJ-AVGNSLFASA-N 2 2 282.388 -0.147 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000892287171 584612414 /nfs/dbraw/zinc/61/24/14/584612414.db2.gz IGYIFDABXMTPFJ-AVGNSLFASA-N 2 2 282.388 -0.147 20 0 CBADLP CCN(C(=O)NC[C@H]1COCC[N@@H+]1C)[C@@H]1CC[NH2+]C1 ZINC000892287594 584612460 /nfs/dbraw/zinc/61/24/60/584612460.db2.gz QIBICOIDVQHKPS-NEPJUHHUSA-N 2 2 270.377 -0.290 20 0 CBADLP CCN(C(=O)NC[C@H]1COCC[N@H+]1C)[C@@H]1CC[NH2+]C1 ZINC000892287594 584612462 /nfs/dbraw/zinc/61/24/62/584612462.db2.gz QIBICOIDVQHKPS-NEPJUHHUSA-N 2 2 270.377 -0.290 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000892286998 584612555 /nfs/dbraw/zinc/61/25/55/584612555.db2.gz FPYABZJXTZHWIT-GARJFASQSA-N 2 2 254.334 -0.927 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000892286998 584612558 /nfs/dbraw/zinc/61/25/58/584612558.db2.gz FPYABZJXTZHWIT-GARJFASQSA-N 2 2 254.334 -0.927 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892287583 584612644 /nfs/dbraw/zinc/61/26/44/584612644.db2.gz PWGVXSGZKQLIKX-OUAUKWLOSA-N 2 2 256.350 -0.647 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892287583 584612647 /nfs/dbraw/zinc/61/26/47/584612647.db2.gz PWGVXSGZKQLIKX-OUAUKWLOSA-N 2 2 256.350 -0.647 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892287626 584612777 /nfs/dbraw/zinc/61/27/77/584612777.db2.gz REUUALVUBRUAMN-TUAOUCFPSA-N 2 2 268.361 -0.537 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892287626 584612779 /nfs/dbraw/zinc/61/27/79/584612779.db2.gz REUUALVUBRUAMN-TUAOUCFPSA-N 2 2 268.361 -0.537 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000892287753 584612991 /nfs/dbraw/zinc/61/29/91/584612991.db2.gz VDRJJZZKSUTYKY-OUCADQQQSA-N 2 2 282.388 -0.432 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000892287753 584612993 /nfs/dbraw/zinc/61/29/93/584612993.db2.gz VDRJJZZKSUTYKY-OUCADQQQSA-N 2 2 282.388 -0.432 20 0 CBADLP Cc1cc(N)nc(N2CC[NH+](C[C@H](C)O)CC2)[nH+]1 ZINC000892313703 584614760 /nfs/dbraw/zinc/61/47/60/584614760.db2.gz POCCDGNXCLGORC-JTQLQIEISA-N 2 2 251.334 -0.130 20 0 CBADLP CN1CC[N@H+](C)[C@H](CNc2cc[nH+]cc2CO)C1 ZINC000892468348 584617102 /nfs/dbraw/zinc/61/71/02/584617102.db2.gz SANMJUOYOZCALS-GFCCVEGCSA-N 2 2 250.346 -0.347 20 0 CBADLP CN1CC[N@@H+](C)[C@H](CNc2cc[nH+]cc2CO)C1 ZINC000892468348 584617104 /nfs/dbraw/zinc/61/71/04/584617104.db2.gz SANMJUOYOZCALS-GFCCVEGCSA-N 2 2 250.346 -0.347 20 0 CBADLP C[N@H+]1CCN(C(=O)NC[C@H]2C[C@H]([NH3+])C2)[C@H](C[NH3+])C1 ZINC000892568548 584619353 /nfs/dbraw/zinc/61/93/53/584619353.db2.gz WHMOZHWTAJZKDB-GMTAPVOTSA-N 3 2 255.366 -0.992 20 0 CBADLP C[N@@H+]1CCN(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H](C[NH3+])C1 ZINC000892586887 584620102 /nfs/dbraw/zinc/62/01/02/584620102.db2.gz GDRCRXUJBFGIMH-CRWXNKLISA-N 3 2 295.431 -0.199 20 0 CBADLP C[N@H+]1CCN(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H](C[NH3+])C1 ZINC000892586887 584620104 /nfs/dbraw/zinc/62/01/04/584620104.db2.gz GDRCRXUJBFGIMH-CRWXNKLISA-N 3 2 295.431 -0.199 20 0 CBADLP C[N@@H+]1CCN(C(=O)NCCc2ccns2)[C@@H](C[NH3+])C1 ZINC000892824251 584626605 /nfs/dbraw/zinc/62/66/05/584626605.db2.gz XXJDRKFEFYDDQC-JTQLQIEISA-N 2 2 283.401 -0.030 20 0 CBADLP C[N@H+]1CCN(C(=O)NCCc2ccns2)[C@@H](C[NH3+])C1 ZINC000892824251 584626607 /nfs/dbraw/zinc/62/66/07/584626607.db2.gz XXJDRKFEFYDDQC-JTQLQIEISA-N 2 2 283.401 -0.030 20 0 CBADLP Cc1ncoc1C[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000894206271 584653892 /nfs/dbraw/zinc/65/38/92/584653892.db2.gz GHWBBEBUFYXUCU-UHFFFAOYSA-N 2 2 252.318 -0.153 20 0 CBADLP C[NH+]1CCN(C(=O)CC[NH2+]Cc2cnc[nH]2)CC1 ZINC000894236577 584654547 /nfs/dbraw/zinc/65/45/47/584654547.db2.gz BUQSOMOQSSVDRE-UHFFFAOYSA-N 2 2 251.334 -0.337 20 0 CBADLP C[NH+]1CCN(C(=O)CC[NH2+]Cc2c[nH]cn2)CC1 ZINC000894236577 584654548 /nfs/dbraw/zinc/65/45/48/584654548.db2.gz BUQSOMOQSSVDRE-UHFFFAOYSA-N 2 2 251.334 -0.337 20 0 CBADLP CN(C)c1[nH+]cc(C[N@@H+]2C[C@H](O)C[C@]2(C)CO)n1C ZINC000895326436 584676109 /nfs/dbraw/zinc/67/61/09/584676109.db2.gz XNULRDVCPMGHAM-DGCLKSJQSA-N 2 2 268.361 -0.196 20 0 CBADLP CN(C)c1[nH+]cc(C[N@H+]2C[C@H](O)C[C@]2(C)CO)n1C ZINC000895326436 584676111 /nfs/dbraw/zinc/67/61/11/584676111.db2.gz XNULRDVCPMGHAM-DGCLKSJQSA-N 2 2 268.361 -0.196 20 0 CBADLP COC(=O)[C@@H]1[C@@H](C[NH2+]CC[N@@H+]2CC[C@@H](O)C2)C1(F)F ZINC000895406272 584678310 /nfs/dbraw/zinc/67/83/10/584678310.db2.gz SMAXSTBKDPDVPI-BBBLOLIVSA-N 2 2 278.299 -0.303 20 0 CBADLP COC(=O)[C@@H]1[C@@H](C[NH2+]CC[N@H+]2CC[C@@H](O)C2)C1(F)F ZINC000895406272 584678312 /nfs/dbraw/zinc/67/83/12/584678312.db2.gz SMAXSTBKDPDVPI-BBBLOLIVSA-N 2 2 278.299 -0.303 20 0 CBADLP COC(=O)[C@H]1[C@H](C[NH2+]CC[N@@H+]2CC[C@@H](O)C2)C1(F)F ZINC000895406274 584678408 /nfs/dbraw/zinc/67/84/08/584678408.db2.gz SMAXSTBKDPDVPI-KXUCPTDWSA-N 2 2 278.299 -0.303 20 0 CBADLP COC(=O)[C@H]1[C@H](C[NH2+]CC[N@H+]2CC[C@@H](O)C2)C1(F)F ZINC000895406274 584678410 /nfs/dbraw/zinc/67/84/10/584678410.db2.gz SMAXSTBKDPDVPI-KXUCPTDWSA-N 2 2 278.299 -0.303 20 0 CBADLP COC(=O)[C@H]1[C@H](C[NH2+]CC[N@@H+]2CC[C@H](O)C2)C1(F)F ZINC000895416232 584678636 /nfs/dbraw/zinc/67/86/36/584678636.db2.gz SMAXSTBKDPDVPI-LPEHRKFASA-N 2 2 278.299 -0.303 20 0 CBADLP COC(=O)[C@H]1[C@H](C[NH2+]CC[N@H+]2CC[C@H](O)C2)C1(F)F ZINC000895416232 584678639 /nfs/dbraw/zinc/67/86/39/584678639.db2.gz SMAXSTBKDPDVPI-LPEHRKFASA-N 2 2 278.299 -0.303 20 0 CBADLP O=C(NCc1[nH]cc[nH+]1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000896306758 584695233 /nfs/dbraw/zinc/69/52/33/584695233.db2.gz YXZRNAZBDSAIFN-JTQLQIEISA-N 2 2 250.302 -0.253 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@H](C)[C@H]1C[N@H+](C)CCN1C ZINC000896532794 584701251 /nfs/dbraw/zinc/70/12/51/584701251.db2.gz VQDMRULRZQOWNP-CHWSQXEVSA-N 2 2 279.388 -0.058 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC000896532794 584701252 /nfs/dbraw/zinc/70/12/52/584701252.db2.gz VQDMRULRZQOWNP-CHWSQXEVSA-N 2 2 279.388 -0.058 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC000896532794 584701253 /nfs/dbraw/zinc/70/12/53/584701253.db2.gz VQDMRULRZQOWNP-CHWSQXEVSA-N 2 2 279.388 -0.058 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC000896532794 584701254 /nfs/dbraw/zinc/70/12/54/584701254.db2.gz VQDMRULRZQOWNP-CHWSQXEVSA-N 2 2 279.388 -0.058 20 0 CBADLP CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000897146453 584709041 /nfs/dbraw/zinc/70/90/41/584709041.db2.gz SWPUELPKVFFIDF-QWHCGFSZSA-N 2 2 280.416 -0.025 20 0 CBADLP CC(C)(C)[N@H+]1CC[C@@H]1C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000897146453 584709042 /nfs/dbraw/zinc/70/90/42/584709042.db2.gz SWPUELPKVFFIDF-QWHCGFSZSA-N 2 2 280.416 -0.025 20 0 CBADLP C[NH+]1CCC(C[NH+]2CC3(C2)NC(=O)NC3=O)CC1 ZINC000897902731 584726715 /nfs/dbraw/zinc/72/67/15/584726715.db2.gz QFTNMIHBJQYMRP-UHFFFAOYSA-N 2 2 252.318 -0.778 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCn1ccc(=O)[nH]c1=O ZINC000898332701 584735484 /nfs/dbraw/zinc/73/54/84/584735484.db2.gz OYCUGWBWVYJAQW-MNOVXSKESA-N 2 2 266.345 -0.121 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCn1ccc(=O)[nH]c1=O ZINC000898332701 584735487 /nfs/dbraw/zinc/73/54/87/584735487.db2.gz OYCUGWBWVYJAQW-MNOVXSKESA-N 2 2 266.345 -0.121 20 0 CBADLP COCC[N@@H+]1CC[C@H]([NH2+]CCCn2ccc(=O)[nH]c2=O)C1 ZINC000898333069 584735512 /nfs/dbraw/zinc/73/55/12/584735512.db2.gz RDJGOZVEWLDMAV-LBPRGKRZSA-N 2 2 296.371 -0.351 20 0 CBADLP COCC[N@H+]1CC[C@H]([NH2+]CCCn2ccc(=O)[nH]c2=O)C1 ZINC000898333069 584735514 /nfs/dbraw/zinc/73/55/14/584735514.db2.gz RDJGOZVEWLDMAV-LBPRGKRZSA-N 2 2 296.371 -0.351 20 0 CBADLP C[NH+]1CCN(CC(=O)N[C@@H]2CCC[N@H+](CCF)C2)CC1 ZINC000898489031 584736583 /nfs/dbraw/zinc/73/65/83/584736583.db2.gz AEYFJQZJRFPDHE-CYBMUJFWSA-N 2 2 286.395 -0.216 20 0 CBADLP C[NH+]1CCN(CC(=O)N[C@@H]2CCC[N@@H+](CCF)C2)CC1 ZINC000898489031 584736586 /nfs/dbraw/zinc/73/65/86/584736586.db2.gz AEYFJQZJRFPDHE-CYBMUJFWSA-N 2 2 286.395 -0.216 20 0 CBADLP C[C@H](C(=O)N1CC([NH+]2CCCC2)C1)N1CC[NH+](C)CC1 ZINC000898612578 584739322 /nfs/dbraw/zinc/73/93/22/584739322.db2.gz JUGXSOSSEHMMKO-CYBMUJFWSA-N 2 2 280.416 -0.071 20 0 CBADLP CC[C@H](C(=O)N[C@@H](CO)c1c[nH+]cn1C)[NH+](C)C ZINC000898886533 584744266 /nfs/dbraw/zinc/74/42/66/584744266.db2.gz FKHCPBQXGSOYBA-VHSXEESVSA-N 2 2 254.334 -0.090 20 0 CBADLP C[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CC(=O)N(CCCO)C3=O)C[C@]2(C)C1 ZINC000899252303 584755096 /nfs/dbraw/zinc/75/50/96/584755096.db2.gz HQZOTYBEODRVQV-JMSVASOKSA-N 2 2 295.383 -0.620 20 0 CBADLP C[N@H+]1C[C@@H]2C[NH+]([C@@H]3CC(=O)N(CCCO)C3=O)C[C@]2(C)C1 ZINC000899252303 584755097 /nfs/dbraw/zinc/75/50/97/584755097.db2.gz HQZOTYBEODRVQV-JMSVASOKSA-N 2 2 295.383 -0.620 20 0 CBADLP C[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CC(=O)N(CCCO)C3=O)C[C@]2(C)C1 ZINC000899252303 584755098 /nfs/dbraw/zinc/75/50/98/584755098.db2.gz HQZOTYBEODRVQV-JMSVASOKSA-N 2 2 295.383 -0.620 20 0 CBADLP C[NH+]1C[C@@H]2C[N@H+]([C@@H]3CC(=O)N(CCCO)C3=O)C[C@]2(C)C1 ZINC000899252303 584755099 /nfs/dbraw/zinc/75/50/99/584755099.db2.gz HQZOTYBEODRVQV-JMSVASOKSA-N 2 2 295.383 -0.620 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)CC1 ZINC000899907839 584783865 /nfs/dbraw/zinc/78/38/65/584783865.db2.gz NHDRSMPPIOBOCN-DGCLKSJQSA-N 2 2 255.362 -0.394 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)CC1 ZINC000899907839 584783867 /nfs/dbraw/zinc/78/38/67/584783867.db2.gz NHDRSMPPIOBOCN-DGCLKSJQSA-N 2 2 255.362 -0.394 20 0 CBADLP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NCCCN1CC[NH+](C)CC1 ZINC000899991184 584787983 /nfs/dbraw/zinc/78/79/83/584787983.db2.gz CBVSRGVOHNYHAG-UKRRQHHQSA-N 2 2 298.431 -0.805 20 0 CBADLP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NCCCN1CC[NH+](C)CC1 ZINC000899991184 584787984 /nfs/dbraw/zinc/78/79/84/584787984.db2.gz CBVSRGVOHNYHAG-UKRRQHHQSA-N 2 2 298.431 -0.805 20 0 CBADLP CN1CC[NH+](CCCNC(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)CC1 ZINC000899991184 584787985 /nfs/dbraw/zinc/78/79/85/584787985.db2.gz CBVSRGVOHNYHAG-UKRRQHHQSA-N 2 2 298.431 -0.805 20 0 CBADLP CN1CC[NH+](CCCNC(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)CC1 ZINC000899991184 584787986 /nfs/dbraw/zinc/78/79/86/584787986.db2.gz CBVSRGVOHNYHAG-UKRRQHHQSA-N 2 2 298.431 -0.805 20 0 CBADLP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCCCN1CC[NH+](C)CC1 ZINC000899991185 584788056 /nfs/dbraw/zinc/78/80/56/584788056.db2.gz CBVSRGVOHNYHAG-ZFWWWQNUSA-N 2 2 298.431 -0.805 20 0 CBADLP C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCCCN1CC[NH+](C)CC1 ZINC000899991185 584788057 /nfs/dbraw/zinc/78/80/57/584788057.db2.gz CBVSRGVOHNYHAG-ZFWWWQNUSA-N 2 2 298.431 -0.805 20 0 CBADLP CN1CC[NH+](CCCNC(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)CC1 ZINC000899991185 584788058 /nfs/dbraw/zinc/78/80/58/584788058.db2.gz CBVSRGVOHNYHAG-ZFWWWQNUSA-N 2 2 298.431 -0.805 20 0 CBADLP CN1CC[NH+](CCCNC(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)CC1 ZINC000899991185 584788059 /nfs/dbraw/zinc/78/80/59/584788059.db2.gz CBVSRGVOHNYHAG-ZFWWWQNUSA-N 2 2 298.431 -0.805 20 0 CBADLP C[NH+]1CCN(CCNC(=O)CNc2cccc[nH+]2)CC1 ZINC000900043827 584790040 /nfs/dbraw/zinc/79/00/40/584790040.db2.gz VGBMMFRGFHONDG-UHFFFAOYSA-N 2 2 277.372 -0.143 20 0 CBADLP C[N@@H+]1CCC[C@](O)(CC(=O)NCCn2cc[nH+]c2)C1 ZINC000900193383 584795025 /nfs/dbraw/zinc/79/50/25/584795025.db2.gz IUHMCKSVSACBJW-ZDUSSCGKSA-N 2 2 266.345 -0.154 20 0 CBADLP C[N@H+]1CCC[C@](O)(CC(=O)NCCn2cc[nH+]c2)C1 ZINC000900193383 584795027 /nfs/dbraw/zinc/79/50/27/584795027.db2.gz IUHMCKSVSACBJW-ZDUSSCGKSA-N 2 2 266.345 -0.154 20 0 CBADLP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000900404441 584803472 /nfs/dbraw/zinc/80/34/72/584803472.db2.gz GOUTXLTYDPCHOP-OCCSQVGLSA-N 2 2 267.373 -0.252 20 0 CBADLP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000900404441 584803474 /nfs/dbraw/zinc/80/34/74/584803474.db2.gz GOUTXLTYDPCHOP-OCCSQVGLSA-N 2 2 267.373 -0.252 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@]2(C)C[C@@H](O)C[NH+]2C)CCO1 ZINC000900483980 584807159 /nfs/dbraw/zinc/80/71/59/584807159.db2.gz HXGNCOOMBIKXOQ-BZPMIXESSA-N 2 2 285.388 -0.722 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@]2(C)C[C@@H](O)C[NH+]2C)CCO1 ZINC000900483980 584807161 /nfs/dbraw/zinc/80/71/61/584807161.db2.gz HXGNCOOMBIKXOQ-BZPMIXESSA-N 2 2 285.388 -0.722 20 0 CBADLP C[C@@H]1C[NH+](CCNC(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)CCO1 ZINC000900483980 584807163 /nfs/dbraw/zinc/80/71/63/584807163.db2.gz HXGNCOOMBIKXOQ-BZPMIXESSA-N 2 2 285.388 -0.722 20 0 CBADLP C[C@@H]1C[NH+](CCNC(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)CCO1 ZINC000900483980 584807166 /nfs/dbraw/zinc/80/71/66/584807166.db2.gz HXGNCOOMBIKXOQ-BZPMIXESSA-N 2 2 285.388 -0.722 20 0 CBADLP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCC[NH+]1CCOCC1(C)C ZINC000900555605 584811447 /nfs/dbraw/zinc/81/14/47/584811447.db2.gz CLLLOACDNVRKEJ-WFASDCNBSA-N 2 2 299.415 -0.332 20 0 CBADLP C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCC[NH+]1CCOCC1(C)C ZINC000900555605 584811448 /nfs/dbraw/zinc/81/14/48/584811448.db2.gz CLLLOACDNVRKEJ-WFASDCNBSA-N 2 2 299.415 -0.332 20 0 CBADLP C[NH+]1C[C@@H](O)C[C@@]1(C)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000900555605 584811449 /nfs/dbraw/zinc/81/14/49/584811449.db2.gz CLLLOACDNVRKEJ-WFASDCNBSA-N 2 2 299.415 -0.332 20 0 CBADLP C[NH+]1C[C@@H](O)C[C@@]1(C)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000900555605 584811452 /nfs/dbraw/zinc/81/14/52/584811452.db2.gz CLLLOACDNVRKEJ-WFASDCNBSA-N 2 2 299.415 -0.332 20 0 CBADLP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NCCc1[nH]cc[nH+]1 ZINC000900646367 584818574 /nfs/dbraw/zinc/81/85/74/584818574.db2.gz APGSDZOUQPXIKF-BXKDBHETSA-N 2 2 252.318 -0.477 20 0 CBADLP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NCCc1[nH]cc[nH+]1 ZINC000900646367 584818575 /nfs/dbraw/zinc/81/85/75/584818575.db2.gz APGSDZOUQPXIKF-BXKDBHETSA-N 2 2 252.318 -0.477 20 0 CBADLP CCOCC[NH+]1CCN(C(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)CC1 ZINC000900653112 584819055 /nfs/dbraw/zinc/81/90/55/584819055.db2.gz WOXYNFDRYHEUTM-HIFRSBDPSA-N 2 2 299.415 -0.378 20 0 CBADLP CCOCC[NH+]1CCN(C(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)CC1 ZINC000900653112 584819057 /nfs/dbraw/zinc/81/90/57/584819057.db2.gz WOXYNFDRYHEUTM-HIFRSBDPSA-N 2 2 299.415 -0.378 20 0 CBADLP COCC[NH+]1CCN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)CC1 ZINC000900684452 584821448 /nfs/dbraw/zinc/82/14/48/584821448.db2.gz RCQXJZVNYLUDTO-CQSZACIVSA-N 2 2 297.399 -0.502 20 0 CBADLP Cc1[nH+]c[nH]c1CNC(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC000900918033 584832780 /nfs/dbraw/zinc/83/27/80/584832780.db2.gz FIKUNQNRWJDBPK-BXKDBHETSA-N 2 2 252.318 -0.211 20 0 CBADLP Cc1[nH+]c[nH]c1CNC(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000900918033 584832781 /nfs/dbraw/zinc/83/27/81/584832781.db2.gz FIKUNQNRWJDBPK-BXKDBHETSA-N 2 2 252.318 -0.211 20 0 CBADLP Cc1[nH+]c[nH]c1CNC(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC000900918036 584832811 /nfs/dbraw/zinc/83/28/11/584832811.db2.gz FIKUNQNRWJDBPK-JOYOIKCWSA-N 2 2 252.318 -0.211 20 0 CBADLP Cc1[nH+]c[nH]c1CNC(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000900918036 584832812 /nfs/dbraw/zinc/83/28/12/584832812.db2.gz FIKUNQNRWJDBPK-JOYOIKCWSA-N 2 2 252.318 -0.211 20 0 CBADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@H](O)C(C)(C)O)CC1 ZINC000900953818 584835148 /nfs/dbraw/zinc/83/51/48/584835148.db2.gz FYMDYZZAXJGHIS-LBPRGKRZSA-N 2 2 287.404 -0.740 20 0 CBADLP CC[C@H](CO)[NH+]1CCN(C(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)CC1 ZINC000901147632 584852322 /nfs/dbraw/zinc/85/23/22/584852322.db2.gz RQPRNPXJXPAREG-VNHYZAJKSA-N 2 2 299.415 -0.643 20 0 CBADLP CC[C@H](CO)[NH+]1CCN(C(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)CC1 ZINC000901147632 584852324 /nfs/dbraw/zinc/85/23/24/584852324.db2.gz RQPRNPXJXPAREG-VNHYZAJKSA-N 2 2 299.415 -0.643 20 0 CBADLP CC[N@@H+]1CCN(C(=O)[C@]2(C)C[C@H](O)C[NH+]2C)C[C@@H]1C ZINC000901200862 584855020 /nfs/dbraw/zinc/85/50/20/584855020.db2.gz QUNJYZKEHIEVIF-OBJOEFQTSA-N 2 2 269.389 -0.006 20 0 CBADLP CC[N@H+]1CCN(C(=O)[C@]2(C)C[C@H](O)C[NH+]2C)C[C@@H]1C ZINC000901200862 584855022 /nfs/dbraw/zinc/85/50/22/584855022.db2.gz QUNJYZKEHIEVIF-OBJOEFQTSA-N 2 2 269.389 -0.006 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)C[C@@H]1C ZINC000901200862 584855023 /nfs/dbraw/zinc/85/50/23/584855023.db2.gz QUNJYZKEHIEVIF-OBJOEFQTSA-N 2 2 269.389 -0.006 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)C[C@@H]1C ZINC000901200862 584855025 /nfs/dbraw/zinc/85/50/25/584855025.db2.gz QUNJYZKEHIEVIF-OBJOEFQTSA-N 2 2 269.389 -0.006 20 0 CBADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCCc1nnnn1C ZINC000902463057 584877305 /nfs/dbraw/zinc/87/73/05/584877305.db2.gz ZDKUPTRQLHFMCC-MNOVXSKESA-N 2 2 268.365 -0.501 20 0 CBADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@]1(CO)COCCN1C ZINC000903282365 584889904 /nfs/dbraw/zinc/88/99/04/584889904.db2.gz SOSRBMARVJQFFV-YUELXQCFSA-N 2 2 283.416 -0.248 20 0 CBADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@]1(CO)COCCN1C ZINC000903282365 584889905 /nfs/dbraw/zinc/88/99/05/584889905.db2.gz SOSRBMARVJQFFV-YUELXQCFSA-N 2 2 283.416 -0.248 20 0 CBADLP O=C(CC[NH2+][C@H]1CC[NH2+]C12CCC2)N1CC[NH2+]CC1 ZINC000903470934 584890947 /nfs/dbraw/zinc/89/09/47/584890947.db2.gz PXJJAFORPVUQRF-LBPRGKRZSA-N 3 2 266.389 -0.318 20 0 CBADLP CNC(=O)NC(=O)CC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903467600 584890988 /nfs/dbraw/zinc/89/09/88/584890988.db2.gz CVYBWOOFGARBTK-VIFPVBQESA-N 2 2 254.334 -0.294 20 0 CBADLP O=C(C[NH2+][C@@H]1CC[NH2+]C12CCC2)N1CC[NH2+]CC1 ZINC000903466487 584891026 /nfs/dbraw/zinc/89/10/26/584891026.db2.gz UIYJXQHBXNNSOC-LLVKDONJSA-N 3 2 252.362 -0.708 20 0 CBADLP CN(C)S(=O)(=O)CC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903472766 584891147 /nfs/dbraw/zinc/89/11/47/584891147.db2.gz WDVDMXRIJUGNBM-SNVBAGLBSA-N 2 2 261.391 -0.248 20 0 CBADLP O=C(C[NH2+][C@@H]1CC[NH2+]C12CCCC2)N1CC[NH2+]CC1 ZINC000903487675 584891418 /nfs/dbraw/zinc/89/14/18/584891418.db2.gz JHZYMXFLFVBYGS-GFCCVEGCSA-N 3 2 266.389 -0.318 20 0 CBADLP COC(=O)CN(C)C(=O)CC[N@@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000903557292 584893163 /nfs/dbraw/zinc/89/31/63/584893163.db2.gz MVCMZMUQESXANO-JTQLQIEISA-N 2 2 271.361 -0.323 20 0 CBADLP COC(=O)CN(C)C(=O)CC[N@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000903557292 584893164 /nfs/dbraw/zinc/89/31/64/584893164.db2.gz MVCMZMUQESXANO-JTQLQIEISA-N 2 2 271.361 -0.323 20 0 CBADLP C[C@@H]1OCC[C@H]1S(=O)(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000903565399 584893420 /nfs/dbraw/zinc/89/34/20/584893420.db2.gz JIFOIVQLUFYTIC-CMPLNLGQSA-N 2 2 291.417 -0.494 20 0 CBADLP C[C@H]1OCC[C@H]1S(=O)(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000903565402 584893452 /nfs/dbraw/zinc/89/34/52/584893452.db2.gz JIFOIVQLUFYTIC-ZYHUDNBSSA-N 2 2 291.417 -0.494 20 0 CBADLP C[N@H+](C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)[C@H]1CCS(=O)(=O)C1 ZINC000903716627 584895621 /nfs/dbraw/zinc/89/56/21/584895621.db2.gz AIWJUXZPMNIHDQ-AVGNSLFASA-N 2 2 288.413 -0.126 20 0 CBADLP C[N@@H+](C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)[C@H]1CCS(=O)(=O)C1 ZINC000903716627 584895623 /nfs/dbraw/zinc/89/56/23/584895623.db2.gz AIWJUXZPMNIHDQ-AVGNSLFASA-N 2 2 288.413 -0.126 20 0 CBADLP CC1(C)CN(C(=O)C(=O)N2CC[NH+](C3CC3)CC2)C[C@@H]1[NH3+] ZINC000903719171 584895698 /nfs/dbraw/zinc/89/56/98/584895698.db2.gz IIKFUPLXQKKLMP-LBPRGKRZSA-N 2 2 294.399 -0.511 20 0 CBADLP C[C@@H]1C(=O)NCC[N@H+]1C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903725782 584896028 /nfs/dbraw/zinc/89/60/28/584896028.db2.gz HJGGIHSMZFJRHF-NQBHXWOUSA-N 2 2 253.346 -0.425 20 0 CBADLP C[C@@H]1C(=O)NCC[N@@H+]1C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903725782 584896030 /nfs/dbraw/zinc/89/60/30/584896030.db2.gz HJGGIHSMZFJRHF-NQBHXWOUSA-N 2 2 253.346 -0.425 20 0 CBADLP CN1CC[N@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1=O ZINC000903728905 584896122 /nfs/dbraw/zinc/89/61/22/584896122.db2.gz HBSMCTCDHGBZKK-WCQYABFASA-N 2 2 253.346 -0.471 20 0 CBADLP CN1CC[N@@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1=O ZINC000903728905 584896123 /nfs/dbraw/zinc/89/61/23/584896123.db2.gz HBSMCTCDHGBZKK-WCQYABFASA-N 2 2 253.346 -0.471 20 0 CBADLP COCCN1CC[N@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1=O ZINC000903757332 584897616 /nfs/dbraw/zinc/89/76/16/584897616.db2.gz CHIXVZVOJNFKTA-UKRRQHHQSA-N 2 2 297.399 -0.454 20 0 CBADLP COCCN1CC[N@@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1=O ZINC000903757332 584897619 /nfs/dbraw/zinc/89/76/19/584897619.db2.gz CHIXVZVOJNFKTA-UKRRQHHQSA-N 2 2 297.399 -0.454 20 0 CBADLP COCCN1CC[N@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1=O ZINC000903757331 584897738 /nfs/dbraw/zinc/89/77/38/584897738.db2.gz CHIXVZVOJNFKTA-HIFRSBDPSA-N 2 2 297.399 -0.454 20 0 CBADLP COCCN1CC[N@@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1=O ZINC000903757331 584897739 /nfs/dbraw/zinc/89/77/39/584897739.db2.gz CHIXVZVOJNFKTA-HIFRSBDPSA-N 2 2 297.399 -0.454 20 0 CBADLP C[C@@H]1C[N@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC(=O)N1 ZINC000903768693 584898054 /nfs/dbraw/zinc/89/80/54/584898054.db2.gz PJKBWPLFTOYVTC-NTZNESFSSA-N 2 2 253.346 -0.425 20 0 CBADLP C[C@@H]1C[N@@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC(=O)N1 ZINC000903768693 584898056 /nfs/dbraw/zinc/89/80/56/584898056.db2.gz PJKBWPLFTOYVTC-NTZNESFSSA-N 2 2 253.346 -0.425 20 0 CBADLP O=S1(=O)CCCN1CC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903769916 584898441 /nfs/dbraw/zinc/89/84/41/584898441.db2.gz RKBJAGGAMWDCCI-LLVKDONJSA-N 2 2 273.402 -0.104 20 0 CBADLP OCC[NH2+][C@@H]1CCC[N@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903770304 584898460 /nfs/dbraw/zinc/89/84/60/584898460.db2.gz FQMDXYLFYSWREN-QLFBSQMISA-N 3 2 283.416 -0.199 20 0 CBADLP OCC[NH2+][C@@H]1CCC[N@@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903770304 584898462 /nfs/dbraw/zinc/89/84/62/584898462.db2.gz FQMDXYLFYSWREN-QLFBSQMISA-N 3 2 283.416 -0.199 20 0 CBADLP NC(=O)C[C@@H]1C[N@H+](C[C@H]2CCCC[NH2+]C2)CCO1 ZINC000903775452 584899170 /nfs/dbraw/zinc/89/91/70/584899170.db2.gz LBPJPNBCUUOJDJ-NWDGAFQWSA-N 2 2 255.362 -0.048 20 0 CBADLP NC(=O)C[C@@H]1C[N@@H+](C[C@H]2CCCC[NH2+]C2)CCO1 ZINC000903775452 584899171 /nfs/dbraw/zinc/89/91/71/584899171.db2.gz LBPJPNBCUUOJDJ-NWDGAFQWSA-N 2 2 255.362 -0.048 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2CCCC[C@H]2C[NH2+]C)CC1 ZINC000903779990 584899308 /nfs/dbraw/zinc/89/93/08/584899308.db2.gz RAONDXLEVFVIHY-ZDUSSCGKSA-N 2 2 296.415 -0.249 20 0 CBADLP [NH3+][C@]1(CO)CCC[N@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903787449 584899705 /nfs/dbraw/zinc/89/97/05/584899705.db2.gz WQWZYAXVCMZQES-MGPQQGTHSA-N 3 2 269.389 -0.459 20 0 CBADLP [NH3+][C@]1(CO)CCC[N@@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903787449 584899706 /nfs/dbraw/zinc/89/97/06/584899706.db2.gz WQWZYAXVCMZQES-MGPQQGTHSA-N 3 2 269.389 -0.459 20 0 CBADLP O=S1(=O)NC[C@@H]2C[N@H+](C[C@@H]3CCCC[NH2+]C3)CCN21 ZINC000903789006 584899913 /nfs/dbraw/zinc/89/99/13/584899913.db2.gz SRZZUMUXZNREBU-VXGBXAGGSA-N 2 2 288.417 -0.790 20 0 CBADLP O=S1(=O)NC[C@@H]2C[N@@H+](C[C@@H]3CCCC[NH2+]C3)CCN21 ZINC000903789006 584899915 /nfs/dbraw/zinc/89/99/15/584899915.db2.gz SRZZUMUXZNREBU-VXGBXAGGSA-N 2 2 288.417 -0.790 20 0 CBADLP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)C1(C[NH3+])CCOCC1 ZINC000903810049 584900568 /nfs/dbraw/zinc/90/05/68/584900568.db2.gz SYNAHVIECFIGMB-UHFFFAOYSA-N 3 2 298.431 -0.410 20 0 CBADLP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)C1(C[NH3+])CCOCC1 ZINC000903810049 584900569 /nfs/dbraw/zinc/90/05/69/584900569.db2.gz SYNAHVIECFIGMB-UHFFFAOYSA-N 3 2 298.431 -0.410 20 0 CBADLP C[NH2+]CCN(C(=O)C(=O)N(C)Cc1c[nH+]c[nH]1)C(C)C ZINC000903814439 584900583 /nfs/dbraw/zinc/90/05/83/584900583.db2.gz FQDYHYIFNWZKKC-UHFFFAOYSA-N 2 2 281.360 -0.176 20 0 CBADLP C[NH2+]CCN(C(=O)C(=O)N(C)Cc1c[nH]c[nH+]1)C(C)C ZINC000903814439 584900585 /nfs/dbraw/zinc/90/05/85/584900585.db2.gz FQDYHYIFNWZKKC-UHFFFAOYSA-N 2 2 281.360 -0.176 20 0 CBADLP CNS(=O)(=O)CCC[N@@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903855591 584902017 /nfs/dbraw/zinc/90/20/17/584902017.db2.gz NPUBPGCAZTUZDG-GHMZBOCLSA-N 2 2 261.391 -0.261 20 0 CBADLP CNS(=O)(=O)CCC[N@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903855591 584902018 /nfs/dbraw/zinc/90/20/18/584902018.db2.gz NPUBPGCAZTUZDG-GHMZBOCLSA-N 2 2 261.391 -0.261 20 0 CBADLP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2CCN1C(=O)CNC1=O ZINC000903856870 584902411 /nfs/dbraw/zinc/90/24/11/584902411.db2.gz SETHXGSHPYAXIW-BXKDBHETSA-N 2 2 252.318 -0.649 20 0 CBADLP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2CCN1C(=O)CNC1=O ZINC000903856870 584902412 /nfs/dbraw/zinc/90/24/12/584902412.db2.gz SETHXGSHPYAXIW-BXKDBHETSA-N 2 2 252.318 -0.649 20 0 CBADLP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000903873831 584902933 /nfs/dbraw/zinc/90/29/33/584902933.db2.gz MNBKNYUILPASIY-UWVGGRQHSA-N 3 2 278.347 -0.244 20 0 CBADLP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000903873831 584902934 /nfs/dbraw/zinc/90/29/34/584902934.db2.gz MNBKNYUILPASIY-UWVGGRQHSA-N 3 2 278.347 -0.244 20 0 CBADLP C[N@H+](CCOCCO)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903908905 584904392 /nfs/dbraw/zinc/90/43/92/584904392.db2.gz BBICDLJWYNFEGC-LBPRGKRZSA-N 2 2 283.376 -0.357 20 0 CBADLP C[N@@H+](CCOCCO)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903908905 584904393 /nfs/dbraw/zinc/90/43/93/584904393.db2.gz BBICDLJWYNFEGC-LBPRGKRZSA-N 2 2 283.376 -0.357 20 0 CBADLP Cc1c(C[C@@H](C[NH3+])C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cnn1C ZINC000903906845 584904476 /nfs/dbraw/zinc/90/44/76/584904476.db2.gz ZMPOPIQZCBAMPD-AEGPPILISA-N 3 2 277.416 -0.003 20 0 CBADLP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cnn1C ZINC000903906845 584904477 /nfs/dbraw/zinc/90/44/77/584904477.db2.gz ZMPOPIQZCBAMPD-AEGPPILISA-N 3 2 277.416 -0.003 20 0 CBADLP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCCO[C@H](C[NH3+])C2)cnn1C ZINC000903930273 584904802 /nfs/dbraw/zinc/90/48/02/584904802.db2.gz WDBKDTVPYBYDFR-UKRRQHHQSA-N 3 2 295.431 -0.104 20 0 CBADLP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCCO[C@H](C[NH3+])C2)cnn1C ZINC000903930273 584904803 /nfs/dbraw/zinc/90/48/03/584904803.db2.gz WDBKDTVPYBYDFR-UKRRQHHQSA-N 3 2 295.431 -0.104 20 0 CBADLP CC1CC[NH+](CC(=O)N2CC[C@@H]([N@H+](C)CC(N)=O)C2)CC1 ZINC000972609549 614432148 /nfs/dbraw/zinc/43/21/48/614432148.db2.gz AZPPTSNNZHIJPQ-CYBMUJFWSA-N 2 2 296.415 -0.264 20 0 CBADLP CC1CC[NH+](CC(=O)N2CC[C@@H]([N@@H+](C)CC(N)=O)C2)CC1 ZINC000972609549 614432152 /nfs/dbraw/zinc/43/21/52/614432152.db2.gz AZPPTSNNZHIJPQ-CYBMUJFWSA-N 2 2 296.415 -0.264 20 0 CBADLP CCN(C(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C1C[NH+](CCO)C1 ZINC000950381387 614636608 /nfs/dbraw/zinc/63/66/08/614636608.db2.gz RSTPYZDMHAQKIH-JSGCOSHPSA-N 2 2 297.399 -0.625 20 0 CBADLP CCN(C(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1)C1C[NH+](CCO)C1 ZINC000950381387 614636610 /nfs/dbraw/zinc/63/66/10/614636610.db2.gz RSTPYZDMHAQKIH-JSGCOSHPSA-N 2 2 297.399 -0.625 20 0 CBADLP CC[NH+]1CC(N2CCN(C(=O)Cc3c[nH+]cn3C)CC2)C1 ZINC000941639144 615086869 /nfs/dbraw/zinc/08/68/69/615086869.db2.gz NEROYJCAZXLALF-UHFFFAOYSA-N 2 2 291.399 -0.189 20 0 CBADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH+](C)CC(N)=O)C1 ZINC000980484062 615110683 /nfs/dbraw/zinc/11/06/83/615110683.db2.gz VXYROIOQUTZHSF-QWHCGFSZSA-N 2 2 296.415 -0.121 20 0 CBADLP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH+](C)CC(N)=O)C1 ZINC000980484062 615110685 /nfs/dbraw/zinc/11/06/85/615110685.db2.gz VXYROIOQUTZHSF-QWHCGFSZSA-N 2 2 296.415 -0.121 20 0 CBADLP CC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)CC(N)=O)C1 ZINC000980484062 615110686 /nfs/dbraw/zinc/11/06/86/615110686.db2.gz VXYROIOQUTZHSF-QWHCGFSZSA-N 2 2 296.415 -0.121 20 0 CBADLP CC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000958199406 615368762 /nfs/dbraw/zinc/36/87/62/615368762.db2.gz IFPDUYNLLHHGCA-GXFFZTMASA-N 2 2 296.371 -0.221 20 0 CBADLP CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000958199406 615368767 /nfs/dbraw/zinc/36/87/67/615368767.db2.gz IFPDUYNLLHHGCA-GXFFZTMASA-N 2 2 296.371 -0.221 20 0 CBADLP CC[C@H]([NH2+][C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1)C(N)=O ZINC000968876791 615822007 /nfs/dbraw/zinc/82/20/07/615822007.db2.gz DRRLFLHYWIHZIM-NEPJUHHUSA-N 2 2 293.371 -0.203 20 0 CBADLP CC[C@H]([NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1)C(N)=O ZINC000968876791 615822008 /nfs/dbraw/zinc/82/20/08/615822008.db2.gz DRRLFLHYWIHZIM-NEPJUHHUSA-N 2 2 293.371 -0.203 20 0 CBADLP C[N@H+](CC(N)=O)[C@H]1CCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000972338169 616055050 /nfs/dbraw/zinc/05/50/50/616055050.db2.gz DTDNWQZZIUWWBX-LBPRGKRZSA-N 2 2 296.415 -0.264 20 0 CBADLP C[N@@H+](CC(N)=O)[C@H]1CCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000972338169 616055051 /nfs/dbraw/zinc/05/50/51/616055051.db2.gz DTDNWQZZIUWWBX-LBPRGKRZSA-N 2 2 296.415 -0.264 20 0 CBADLP C[NH+](CC(N)=O)[C@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000972338169 616055052 /nfs/dbraw/zinc/05/50/52/616055052.db2.gz DTDNWQZZIUWWBX-LBPRGKRZSA-N 2 2 296.415 -0.264 20 0 CBADLP C[NH+](CC(N)=O)[C@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000972338169 616055053 /nfs/dbraw/zinc/05/50/53/616055053.db2.gz DTDNWQZZIUWWBX-LBPRGKRZSA-N 2 2 296.415 -0.264 20 0 CBADLP C[N@H+](CCO)[C@@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000971818469 616110969 /nfs/dbraw/zinc/11/09/69/616110969.db2.gz ORHBSQOXNPOYMG-GXTWGEPZSA-N 2 2 292.383 -0.030 20 0 CBADLP C[N@@H+](CCO)[C@@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000971818469 616110970 /nfs/dbraw/zinc/11/09/70/616110970.db2.gz ORHBSQOXNPOYMG-GXTWGEPZSA-N 2 2 292.383 -0.030 20 0 CBADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC(N)=O)C[C@H]21 ZINC000960584571 616184641 /nfs/dbraw/zinc/18/46/41/616184641.db2.gz YSRVTMAXJQGKKM-SRRSOLGSSA-N 2 2 280.372 -0.998 20 0 CBADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC(N)=O)C[C@H]21 ZINC000960584571 616184642 /nfs/dbraw/zinc/18/46/42/616184642.db2.gz YSRVTMAXJQGKKM-SRRSOLGSSA-N 2 2 280.372 -0.998 20 0 CBADLP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC000960584571 616184643 /nfs/dbraw/zinc/18/46/43/616184643.db2.gz YSRVTMAXJQGKKM-SRRSOLGSSA-N 2 2 280.372 -0.998 20 0 CBADLP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC000960584571 616184644 /nfs/dbraw/zinc/18/46/44/616184644.db2.gz YSRVTMAXJQGKKM-SRRSOLGSSA-N 2 2 280.372 -0.998 20 0 CBADLP C[N@H+](CCF)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000971268552 616251395 /nfs/dbraw/zinc/25/13/95/616251395.db2.gz WHMQXPFSFYQWLT-VXGBXAGGSA-N 2 2 273.352 -0.181 20 0 CBADLP C[N@@H+](CCF)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000971268552 616251396 /nfs/dbraw/zinc/25/13/96/616251396.db2.gz WHMQXPFSFYQWLT-VXGBXAGGSA-N 2 2 273.352 -0.181 20 0 CBADLP C[NH+](CCF)[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000971268552 616251397 /nfs/dbraw/zinc/25/13/97/616251397.db2.gz WHMQXPFSFYQWLT-VXGBXAGGSA-N 2 2 273.352 -0.181 20 0 CBADLP C[NH+](CCF)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000971268552 616251398 /nfs/dbraw/zinc/25/13/98/616251398.db2.gz WHMQXPFSFYQWLT-VXGBXAGGSA-N 2 2 273.352 -0.181 20 0 CBADLP C[N@@H+]1CC[C@H](C(=O)N2CC[NH+](CCn3cccn3)CC2)C1 ZINC000957649458 616360263 /nfs/dbraw/zinc/36/02/63/616360263.db2.gz KXWYIUDKCQDHKX-AWEZNQCLSA-N 2 2 291.399 -0.021 20 0 CBADLP C[N@H+]1CC[C@H](C(=O)N2CC[NH+](CCn3cccn3)CC2)C1 ZINC000957649458 616360265 /nfs/dbraw/zinc/36/02/65/616360265.db2.gz KXWYIUDKCQDHKX-AWEZNQCLSA-N 2 2 291.399 -0.021 20 0 CBADLP CNC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000969700006 616598970 /nfs/dbraw/zinc/59/89/70/616598970.db2.gz MOUBXEZYTWIYBV-DMDPSCGWSA-N 2 2 296.415 -0.491 20 0 CBADLP CNC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000969700006 616598972 /nfs/dbraw/zinc/59/89/72/616598972.db2.gz MOUBXEZYTWIYBV-DMDPSCGWSA-N 2 2 296.415 -0.491 20 0 CBADLP CNC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000970867930 616599074 /nfs/dbraw/zinc/59/90/74/616599074.db2.gz HYLJPQWIOPQKMW-WDEREUQCSA-N 2 2 282.388 -0.879 20 0 CBADLP CNC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000970867930 616599077 /nfs/dbraw/zinc/59/90/77/616599077.db2.gz HYLJPQWIOPQKMW-WDEREUQCSA-N 2 2 282.388 -0.879 20 0 CBADLP CNC(=O)C[N@@H+]1CCCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC000981955787 616603664 /nfs/dbraw/zinc/60/36/64/616603664.db2.gz VIGSALMMKSMHTA-CYBMUJFWSA-N 2 2 296.415 -0.392 20 0 CBADLP CNC(=O)C[N@H+]1CCCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC000981955787 616603666 /nfs/dbraw/zinc/60/36/66/616603666.db2.gz VIGSALMMKSMHTA-CYBMUJFWSA-N 2 2 296.415 -0.392 20 0 CBADLP CNC(=O)C[NH+]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000981955787 616603668 /nfs/dbraw/zinc/60/36/68/616603668.db2.gz VIGSALMMKSMHTA-CYBMUJFWSA-N 2 2 296.415 -0.392 20 0 CBADLP CNC(=O)C[NH+]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC000981955787 616603670 /nfs/dbraw/zinc/60/36/70/616603670.db2.gz VIGSALMMKSMHTA-CYBMUJFWSA-N 2 2 296.415 -0.392 20 0 CBADLP CNC(=O)C[N@@H+]1CCCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC000981622372 616604756 /nfs/dbraw/zinc/60/47/56/616604756.db2.gz QKEWGXIBEPVIQM-UHFFFAOYSA-N 2 2 293.371 -0.528 20 0 CBADLP CNC(=O)C[N@H+]1CCCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC000981622372 616604759 /nfs/dbraw/zinc/60/47/59/616604759.db2.gz QKEWGXIBEPVIQM-UHFFFAOYSA-N 2 2 293.371 -0.528 20 0 CBADLP CNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC000981332197 616605749 /nfs/dbraw/zinc/60/57/49/616605749.db2.gz SNOVWFFQAYGVIC-AWEZNQCLSA-N 2 2 296.415 -0.393 20 0 CBADLP CNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC000981332197 616605751 /nfs/dbraw/zinc/60/57/51/616605751.db2.gz SNOVWFFQAYGVIC-AWEZNQCLSA-N 2 2 296.415 -0.393 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC000945806561 616622881 /nfs/dbraw/zinc/62/28/81/616622881.db2.gz FFVHVVNHNCSHMZ-NEPJUHHUSA-N 2 2 293.371 -0.544 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC000945806561 616622884 /nfs/dbraw/zinc/62/28/84/616622884.db2.gz FFVHVVNHNCSHMZ-NEPJUHHUSA-N 2 2 293.371 -0.544 20 0 CBADLP CNC(=O)C[N@@H+]1C[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000972858047 616636498 /nfs/dbraw/zinc/63/64/98/616636498.db2.gz SKUCJIZVGRQJJX-RYUDHWBXSA-N 2 2 296.415 -0.347 20 0 CBADLP CNC(=O)C[N@H+]1C[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000972858047 616636503 /nfs/dbraw/zinc/63/65/03/616636503.db2.gz SKUCJIZVGRQJJX-RYUDHWBXSA-N 2 2 296.415 -0.347 20 0 CBADLP CNC(=O)C[NH+]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC000972858047 616636507 /nfs/dbraw/zinc/63/65/07/616636507.db2.gz SKUCJIZVGRQJJX-RYUDHWBXSA-N 2 2 296.415 -0.347 20 0 CBADLP CNC(=O)C[NH+]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC000972858047 616636511 /nfs/dbraw/zinc/63/65/11/616636511.db2.gz SKUCJIZVGRQJJX-RYUDHWBXSA-N 2 2 296.415 -0.347 20 0 CBADLP COC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1 ZINC000963014559 616816681 /nfs/dbraw/zinc/81/66/81/616816681.db2.gz GCVLDRXPICXALU-NMKXLXIOSA-N 2 2 278.356 -0.036 20 0 CBADLP COC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1 ZINC000963014559 616816687 /nfs/dbraw/zinc/81/66/87/616816687.db2.gz GCVLDRXPICXALU-NMKXLXIOSA-N 2 2 278.356 -0.036 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000980840083 616847619 /nfs/dbraw/zinc/84/76/19/616847619.db2.gz RNHNXDYGNXMXTL-QWHCGFSZSA-N 2 2 296.415 -0.251 20 0 CBADLP CNC(=O)[C@H](C)[N@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000980840083 616847620 /nfs/dbraw/zinc/84/76/20/616847620.db2.gz RNHNXDYGNXMXTL-QWHCGFSZSA-N 2 2 296.415 -0.251 20 0 CBADLP CNC(=O)[C@H](C)[NH+]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000980840083 616847625 /nfs/dbraw/zinc/84/76/25/616847625.db2.gz RNHNXDYGNXMXTL-QWHCGFSZSA-N 2 2 296.415 -0.251 20 0 CBADLP CNC(=O)[C@H](C)[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000980840083 616847627 /nfs/dbraw/zinc/84/76/27/616847627.db2.gz RNHNXDYGNXMXTL-QWHCGFSZSA-N 2 2 296.415 -0.251 20 0 CBADLP CCCN(CCC)S(=O)(=O)N1CC[NH2+]CC[NH2+]CC1 ZINC000923690339 658397117 /nfs/dbraw/zinc/39/71/17/658397117.db2.gz GTURRKZIYFVIPZ-UHFFFAOYSA-N 2 2 292.449 -0.152 20 0 CBADLP C[C@@H]1CCN(S(=O)(=O)N2CC[NH2+]CC[NH2+]CC2)C1 ZINC000923691262 658397179 /nfs/dbraw/zinc/39/71/79/658397179.db2.gz NLSZYLBEMMXQOF-LLVKDONJSA-N 2 2 276.406 -0.932 20 0 CBADLP O=S1(=O)CCNC[C@H]1CC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925790004 658871739 /nfs/dbraw/zinc/87/17/39/658871739.db2.gz ZWKNPXQGMXULRI-NEPJUHHUSA-N 2 2 287.429 -0.363 20 0 CBADLP C[C@H]([NH2+]CC[C@H]1CNCCS1(=O)=O)c1c[nH+]ccc1N ZINC000925789754 658872123 /nfs/dbraw/zinc/87/21/23/658872123.db2.gz XIZLONFNHWYFNV-QWRGUYRKSA-N 2 2 298.412 -0.079 20 0 CBADLP CC1(C)CNC(=O)[C@@H]1[NH2+]CCC[NH2+][C@@H]1C(=O)NCC1(C)C ZINC000931652751 659503137 /nfs/dbraw/zinc/50/31/37/659503137.db2.gz IZCVCPMMKYDUNK-PHIMTYICSA-N 2 2 296.415 -0.395 20 0 CBADLP CC(=O)N1CCC([N@H+](C)CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000931489191 659470864 /nfs/dbraw/zinc/47/08/64/659470864.db2.gz ZBBCXYKFVDMTQF-UHFFFAOYSA-N 2 2 296.415 -0.297 20 0 CBADLP CC(=O)N1CCC([N@@H+](C)CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000931489191 659470875 /nfs/dbraw/zinc/47/08/75/659470875.db2.gz ZBBCXYKFVDMTQF-UHFFFAOYSA-N 2 2 296.415 -0.297 20 0 CBADLP Cn1ncc2c1nc[nH+]c2NC[C@@H](O)C[NH+](C)C ZINC000029587274 655998314 /nfs/dbraw/zinc/99/83/14/655998314.db2.gz FNZAPRXDRZPXKZ-MRVPVSSYSA-N 2 2 250.306 -0.302 20 0 CBADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)CNC(=O)C[NH3+] ZINC000037626592 656003178 /nfs/dbraw/zinc/00/31/78/656003178.db2.gz XUDJTDNOWDBCDN-JTQLQIEISA-N 2 2 281.360 -0.511 20 0 CBADLP CNC(=O)NC(=O)CC[N@@H+]1CCCC[C@@H]1C[NH2+]C ZINC000063168659 656034304 /nfs/dbraw/zinc/03/43/04/656034304.db2.gz UKCOOTAFLOYARE-SNVBAGLBSA-N 2 2 256.350 -0.094 20 0 CBADLP CNC(=O)NC(=O)CC[N@H+]1CCCC[C@@H]1C[NH2+]C ZINC000063168659 656034307 /nfs/dbraw/zinc/03/43/07/656034307.db2.gz UKCOOTAFLOYARE-SNVBAGLBSA-N 2 2 256.350 -0.094 20 0 CBADLP C[C@H](CNC(=O)C[C@@H]1CCC[NH2+]1)[NH+]1CCN(C)CC1 ZINC000178880796 656088874 /nfs/dbraw/zinc/08/88/74/656088874.db2.gz MAWHPOMWZCIXQT-OLZOCXBDSA-N 2 2 268.405 -0.119 20 0 CBADLP CN(C(=O)CN1CC[NH2+]CC1=O)C1CCC([NH3+])CC1 ZINC000237208942 656116728 /nfs/dbraw/zinc/11/67/28/656116728.db2.gz FVXVWCQUHXGQEH-UHFFFAOYSA-N 2 2 268.361 -0.854 20 0 CBADLP CC(=O)N[C@H]1CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000311010917 656144972 /nfs/dbraw/zinc/14/49/72/656144972.db2.gz ZWGGHZFNIHXMQS-STQMWFEESA-N 2 2 255.362 -0.347 20 0 CBADLP CC(=O)N[C@H]1CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000311010917 656144974 /nfs/dbraw/zinc/14/49/74/656144974.db2.gz ZWGGHZFNIHXMQS-STQMWFEESA-N 2 2 255.362 -0.347 20 0 CBADLP CCNC(=O)C(C)(C)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000313061833 656147626 /nfs/dbraw/zinc/14/76/26/656147626.db2.gz RLJAERXFNOJCQW-LLVKDONJSA-N 2 2 257.378 -0.053 20 0 CBADLP O=C(NCCc1[nH]cc[nH+]1)c1[nH]nc2c1C[NH2+]CC2 ZINC000446361451 656171773 /nfs/dbraw/zinc/17/17/73/656171773.db2.gz BUITYOHKHRSGLL-UHFFFAOYSA-N 2 2 260.301 -0.249 20 0 CBADLP C[N@H+](C[C@H](O)C[NH+]1CCC[C@@H](CO)[C@H]1CO)C1CC1 ZINC000709823314 656196370 /nfs/dbraw/zinc/19/63/70/656196370.db2.gz ALLXRBQINLUVKB-FPMFFAJLSA-N 2 2 272.389 -0.493 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@@H](CO)[C@H]1CO)C1CC1 ZINC000709823314 656196372 /nfs/dbraw/zinc/19/63/72/656196372.db2.gz ALLXRBQINLUVKB-FPMFFAJLSA-N 2 2 272.389 -0.493 20 0 CBADLP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@@H](CO)[C@H]1CO)C1CC1 ZINC000709823314 656196374 /nfs/dbraw/zinc/19/63/74/656196374.db2.gz ALLXRBQINLUVKB-FPMFFAJLSA-N 2 2 272.389 -0.493 20 0 CBADLP C[NH+](C[C@H](O)C[N@H+]1CCC[C@@H](CO)[C@H]1CO)C1CC1 ZINC000709823314 656196375 /nfs/dbraw/zinc/19/63/75/656196375.db2.gz ALLXRBQINLUVKB-FPMFFAJLSA-N 2 2 272.389 -0.493 20 0 CBADLP COC[C@@]1(C(=O)N[C@@H](C)Cn2cc[nH+]c2)C[NH2+]CCO1 ZINC000710722568 656199770 /nfs/dbraw/zinc/19/97/70/656199770.db2.gz BVDYOAXQRPIJIY-WCQYABFASA-N 2 2 282.344 -0.607 20 0 CBADLP COC[C@@]1(C(=O)NCCCn2cc[nH+]c2)C[NH2+]CCO1 ZINC000710712647 656200144 /nfs/dbraw/zinc/20/01/44/656200144.db2.gz QPVZQXSHVQHVNE-CYBMUJFWSA-N 2 2 282.344 -0.606 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@]2(COC)C[NH2+]CCO2)CC1 ZINC000710753568 656200397 /nfs/dbraw/zinc/20/03/97/656200397.db2.gz AVBBOOCMVMQFCH-CYBMUJFWSA-N 2 2 271.361 -0.845 20 0 CBADLP CCn1cc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)nn1 ZINC000714436104 656216289 /nfs/dbraw/zinc/21/62/89/656216289.db2.gz HTPYRLUHNPAWLX-ZDUSSCGKSA-N 2 2 264.377 -0.223 20 0 CBADLP CCn1cc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)nn1 ZINC000714436104 656216290 /nfs/dbraw/zinc/21/62/90/656216290.db2.gz HTPYRLUHNPAWLX-ZDUSSCGKSA-N 2 2 264.377 -0.223 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](C2OCCO2)C1 ZINC000719082729 656234650 /nfs/dbraw/zinc/23/46/50/656234650.db2.gz LOXLARBSQSHWLT-CHWSQXEVSA-N 2 2 288.388 -0.380 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](C2OCCO2)C1 ZINC000719082729 656234652 /nfs/dbraw/zinc/23/46/52/656234652.db2.gz LOXLARBSQSHWLT-CHWSQXEVSA-N 2 2 288.388 -0.380 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](C2OCCO2)C1 ZINC000719082729 656234653 /nfs/dbraw/zinc/23/46/53/656234653.db2.gz LOXLARBSQSHWLT-CHWSQXEVSA-N 2 2 288.388 -0.380 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](C2OCCO2)C1 ZINC000719082729 656234656 /nfs/dbraw/zinc/23/46/56/656234656.db2.gz LOXLARBSQSHWLT-CHWSQXEVSA-N 2 2 288.388 -0.380 20 0 CBADLP C[N@H+](CC(=O)NC1CC[NH+](C)CC1)[C@H]1CCCCNC1=O ZINC000878051416 656249068 /nfs/dbraw/zinc/24/90/68/656249068.db2.gz DZONJTRTSTVBFK-ZDUSSCGKSA-N 2 2 296.415 -0.203 20 0 CBADLP C[N@@H+](CC(=O)NC1CC[NH+](C)CC1)[C@H]1CCCCNC1=O ZINC000878051416 656249070 /nfs/dbraw/zinc/24/90/70/656249070.db2.gz DZONJTRTSTVBFK-ZDUSSCGKSA-N 2 2 296.415 -0.203 20 0 CBADLP COc1cc[nH+]c(N2CC[NH+](CCn3cnnn3)CC2)c1 ZINC000878056152 656249176 /nfs/dbraw/zinc/24/91/76/656249176.db2.gz AJIHFYNEKSRSSH-UHFFFAOYSA-N 2 2 289.343 -0.101 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000889757167 656269098 /nfs/dbraw/zinc/26/90/98/656269098.db2.gz SOCFMWMJARPPRD-CHWSQXEVSA-N 2 2 278.356 -0.059 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889757167 656269102 /nfs/dbraw/zinc/26/91/02/656269102.db2.gz SOCFMWMJARPPRD-CHWSQXEVSA-N 2 2 278.356 -0.059 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000895739821 656284006 /nfs/dbraw/zinc/28/40/06/656284006.db2.gz IIKXCBMYWRYBDN-JSGCOSHPSA-N 2 2 297.399 -0.456 20 0 CBADLP C[C@H](NC(=O)CC[NH+]1CCOCC1)[C@H]1C[N@H+](C)CCN1C ZINC000896564599 656289460 /nfs/dbraw/zinc/28/94/60/656289460.db2.gz QRFOVTFTVZQSJF-UONOGXRCSA-N 2 2 298.431 -0.541 20 0 CBADLP C[C@H](NC(=O)CC[NH+]1CCOCC1)[C@H]1C[N@@H+](C)CCN1C ZINC000896564599 656289466 /nfs/dbraw/zinc/28/94/66/656289466.db2.gz QRFOVTFTVZQSJF-UONOGXRCSA-N 2 2 298.431 -0.541 20 0 CBADLP CC[NH2+]CCNS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000905331602 656349939 /nfs/dbraw/zinc/34/99/39/656349939.db2.gz ZXGAOMMCDSMYTA-UHFFFAOYSA-N 2 2 279.406 -0.762 20 0 CBADLP CCO[C@@H](C[NH2+]C[C@H](O)C1(O)CCOCC1)C[NH+](C)C ZINC000905575177 656362553 /nfs/dbraw/zinc/36/25/53/656362553.db2.gz HFKRDRQPYVARDE-STQMWFEESA-N 2 2 290.404 -0.555 20 0 CBADLP CCO[C@@H](C[NH2+]C[C@H](O)Cn1cccn1)C[NH+](C)C ZINC000905579828 656362775 /nfs/dbraw/zinc/36/27/75/656362775.db2.gz LNIPUQJZVQFZME-STQMWFEESA-N 2 2 270.377 -0.200 20 0 CBADLP Cn1nccc1[C@H](O)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000905627216 656363514 /nfs/dbraw/zinc/36/35/14/656363514.db2.gz TXOGFYQKIXTQCF-DGCLKSJQSA-N 2 2 268.361 -0.500 20 0 CBADLP COCC[NH+]1CCC([NH2+][C@H]2CCN(OC)C2=O)CC1 ZINC000905761716 656367226 /nfs/dbraw/zinc/36/72/26/656367226.db2.gz PIWQBIJILPSOAT-LBPRGKRZSA-N 2 2 271.361 -0.151 20 0 CBADLP CN1CC[N@H+](C)CC(C(=O)NCCn2cc[nH+]c2)C1 ZINC000906129578 656378464 /nfs/dbraw/zinc/37/84/64/656378464.db2.gz JSMMKCWUJDKKSM-UHFFFAOYSA-N 2 2 265.361 -0.507 20 0 CBADLP CN1CC[N@@H+](C)CC(C(=O)NCCn2cc[nH+]c2)C1 ZINC000906129578 656378466 /nfs/dbraw/zinc/37/84/66/656378466.db2.gz JSMMKCWUJDKKSM-UHFFFAOYSA-N 2 2 265.361 -0.507 20 0 CBADLP [NH3+]C1CC([NH2+]Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000906511029 656389606 /nfs/dbraw/zinc/38/96/06/656389606.db2.gz QHRKIPKMFHDBRX-ILDUYXDCSA-N 3 2 250.350 -0.218 20 0 CBADLP C[C@H]([NH2+][C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC1(C)C)C(N)=O ZINC000996354927 656408680 /nfs/dbraw/zinc/40/86/80/656408680.db2.gz JLVZFXKPMPPBAI-ONGXEEELSA-N 2 2 293.371 -0.347 20 0 CBADLP CC1(C)CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]CC(N)=O ZINC000996355807 656409280 /nfs/dbraw/zinc/40/92/80/656409280.db2.gz NSNGRFCGAIXZJD-SNVBAGLBSA-N 2 2 279.344 -0.736 20 0 CBADLP CC1(C)CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1[NH2+]CCO ZINC000996356245 656409308 /nfs/dbraw/zinc/40/93/08/656409308.db2.gz RAASZYMUXIAHNS-NSHDSACASA-N 2 2 266.345 -0.229 20 0 CBADLP C[C@@H]([NH2+][C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC1(C)C)C(N)=O ZINC000996458267 656413134 /nfs/dbraw/zinc/41/31/34/656413134.db2.gz SWUOTWYGXIMAKD-ZJUUUORDSA-N 2 2 293.371 -0.347 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]([NH2+]CC(N)=O)C(C)(C)C1 ZINC000996513096 656415791 /nfs/dbraw/zinc/41/57/91/656415791.db2.gz FTCJYVSZHMEVGG-NSHDSACASA-N 2 2 293.371 -0.726 20 0 CBADLP C[C@H](NC(=O)C1CN(C)CC[N@H+](C)C1)[C@H]1C[NH+](C)CCO1 ZINC000907071392 656419633 /nfs/dbraw/zinc/41/96/33/656419633.db2.gz QMTZPAFJERGRAT-GXTWGEPZSA-N 2 2 298.431 -0.685 20 0 CBADLP C[C@H](NC(=O)C1CN(C)CC[N@@H+](C)C1)[C@H]1C[NH+](C)CCO1 ZINC000907071392 656419652 /nfs/dbraw/zinc/41/96/52/656419652.db2.gz QMTZPAFJERGRAT-GXTWGEPZSA-N 2 2 298.431 -0.685 20 0 CBADLP C[C@H](NC(=O)C1CN(C)CC[NH+](C)C1)[C@H]1C[N@H+](C)CCO1 ZINC000907071392 656419669 /nfs/dbraw/zinc/41/96/69/656419669.db2.gz QMTZPAFJERGRAT-GXTWGEPZSA-N 2 2 298.431 -0.685 20 0 CBADLP C[C@H](NC(=O)C1CN(C)CC[NH+](C)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000907071392 656419692 /nfs/dbraw/zinc/41/96/92/656419692.db2.gz QMTZPAFJERGRAT-GXTWGEPZSA-N 2 2 298.431 -0.685 20 0 CBADLP C[C@@H](NC(=O)C1CN(C)CC[N@H+](C)C1)[C@H]1C[NH+](C)CCO1 ZINC000907071395 656419970 /nfs/dbraw/zinc/41/99/70/656419970.db2.gz QMTZPAFJERGRAT-TZMCWYRMSA-N 2 2 298.431 -0.685 20 0 CBADLP C[C@@H](NC(=O)C1CN(C)CC[N@@H+](C)C1)[C@H]1C[NH+](C)CCO1 ZINC000907071395 656419975 /nfs/dbraw/zinc/41/99/75/656419975.db2.gz QMTZPAFJERGRAT-TZMCWYRMSA-N 2 2 298.431 -0.685 20 0 CBADLP C[C@@H](NC(=O)C1CN(C)CC[NH+](C)C1)[C@H]1C[N@H+](C)CCO1 ZINC000907071395 656419988 /nfs/dbraw/zinc/41/99/88/656419988.db2.gz QMTZPAFJERGRAT-TZMCWYRMSA-N 2 2 298.431 -0.685 20 0 CBADLP C[C@@H](NC(=O)C1CN(C)CC[NH+](C)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000907071395 656420006 /nfs/dbraw/zinc/42/00/06/656420006.db2.gz QMTZPAFJERGRAT-TZMCWYRMSA-N 2 2 298.431 -0.685 20 0 CBADLP C[C@H]([NH2+]C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1)C(N)=O ZINC000996652955 656448167 /nfs/dbraw/zinc/44/81/67/656448167.db2.gz XABVWZJKKIKZSH-JTQLQIEISA-N 2 2 293.371 -0.203 20 0 CBADLP C[C@H]([NH2+]C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1)C(N)=O ZINC000996652955 656448177 /nfs/dbraw/zinc/44/81/77/656448177.db2.gz XABVWZJKKIKZSH-JTQLQIEISA-N 2 2 293.371 -0.203 20 0 CBADLP C[C@@H]([NH2+]C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1)C(N)=O ZINC000996652957 656449190 /nfs/dbraw/zinc/44/91/90/656449190.db2.gz XABVWZJKKIKZSH-SNVBAGLBSA-N 2 2 293.371 -0.203 20 0 CBADLP C[C@@H]([NH2+]C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1)C(N)=O ZINC000996652957 656449204 /nfs/dbraw/zinc/44/92/04/656449204.db2.gz XABVWZJKKIKZSH-SNVBAGLBSA-N 2 2 293.371 -0.203 20 0 CBADLP CC1(C)CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]CC(N)=O ZINC000996713353 656454739 /nfs/dbraw/zinc/45/47/39/656454739.db2.gz IFYKLYBODHLASS-SNVBAGLBSA-N 2 2 279.344 -0.805 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)N1CCC([NH2+]CC(N)=O)CC1 ZINC000996832778 656458304 /nfs/dbraw/zinc/45/83/04/656458304.db2.gz DVXBLAGPLBADML-UHFFFAOYSA-N 2 2 293.371 -0.581 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC([NH2+]CCO)CC1 ZINC000997212005 656469298 /nfs/dbraw/zinc/46/92/98/656469298.db2.gz UHOMGWWUIAXVQM-UHFFFAOYSA-N 2 2 266.345 -0.166 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CCC([NH2+]CC(N)=O)CC1 ZINC000997178165 656469416 /nfs/dbraw/zinc/46/94/16/656469416.db2.gz CQSCWMRYHUXINQ-UHFFFAOYSA-N 2 2 279.344 -0.972 20 0 CBADLP C[C@@H]([NH2+]C1CCN(C(=O)Cc2c[nH+]cn2C)CC1)C(N)=O ZINC000997181411 656469569 /nfs/dbraw/zinc/46/95/69/656469569.db2.gz ZTSQRMNVLLSOMX-SNVBAGLBSA-N 2 2 293.371 -0.583 20 0 CBADLP C/C(=C/C(=O)NC[C@]1(O)CC[N@@H+](C)C1)C[NH+]1CCOCC1 ZINC000907389854 656500238 /nfs/dbraw/zinc/50/02/38/656500238.db2.gz VBWYRDZZUJZHKI-UZGISAJGSA-N 2 2 297.399 -0.552 20 0 CBADLP C/C(=C/C(=O)NC[C@]1(O)CC[N@H+](C)C1)C[NH+]1CCOCC1 ZINC000907389854 656500250 /nfs/dbraw/zinc/50/02/50/656500250.db2.gz VBWYRDZZUJZHKI-UZGISAJGSA-N 2 2 297.399 -0.552 20 0 CBADLP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCC[NH+]1CCCOCC1 ZINC000907614410 656540908 /nfs/dbraw/zinc/54/09/08/656540908.db2.gz YCVIUQIIUVMAGO-OCCSQVGLSA-N 2 2 285.388 -0.720 20 0 CBADLP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCC[NH+]1CCCOCC1 ZINC000907614410 656540922 /nfs/dbraw/zinc/54/09/22/656540922.db2.gz YCVIUQIIUVMAGO-OCCSQVGLSA-N 2 2 285.388 -0.720 20 0 CBADLP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)NCC[N@H+]1CCCOCC1 ZINC000907614410 656540950 /nfs/dbraw/zinc/54/09/50/656540950.db2.gz YCVIUQIIUVMAGO-OCCSQVGLSA-N 2 2 285.388 -0.720 20 0 CBADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC([NH2+]CC(N)=O)C1 ZINC000998937689 656595426 /nfs/dbraw/zinc/59/54/26/656595426.db2.gz ZDTBTBZBBSOKJA-JPPWEJMLSA-N 2 2 291.355 -0.423 20 0 CBADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC([NH2+]CC(N)=O)C1 ZINC000998937689 656595441 /nfs/dbraw/zinc/59/54/41/656595441.db2.gz ZDTBTBZBBSOKJA-JPPWEJMLSA-N 2 2 291.355 -0.423 20 0 CBADLP C[C@@H](O)C[NH2+]C1CC(N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000999467659 656631300 /nfs/dbraw/zinc/63/13/00/656631300.db2.gz DUXSUJZQXKYSJM-GRZMOONWSA-N 2 2 266.345 -0.088 20 0 CBADLP Cc1cn(C(C)(C)C(=O)N[C@@H](CO)C[NH+](C)C)c[nH+]1 ZINC000908203052 656668370 /nfs/dbraw/zinc/66/83/70/656668370.db2.gz YCYYZQVRPPTUJN-LLVKDONJSA-N 2 2 268.361 -0.035 20 0 CBADLP O=C(/C=C\C[NH+]1CCOCC1)N[C@H](CO)C[NH+]1CCCC1 ZINC000908205911 656672671 /nfs/dbraw/zinc/67/26/71/656672671.db2.gz XUYRIJJNMZQBET-NQHOJNORSA-N 2 2 297.399 -0.552 20 0 CBADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]([NH2+]CC(N)=O)C1 ZINC001000425372 656714402 /nfs/dbraw/zinc/71/44/02/656714402.db2.gz HJPDGCPNASPXOP-QWRGUYRKSA-N 2 2 293.371 -0.346 20 0 CBADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]([NH2+]CC(N)=O)C1 ZINC001000425372 656714410 /nfs/dbraw/zinc/71/44/10/656714410.db2.gz HJPDGCPNASPXOP-QWRGUYRKSA-N 2 2 293.371 -0.346 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N1CCC[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001000566042 656739977 /nfs/dbraw/zinc/73/99/77/656739977.db2.gz RXUXEBBGJHNXCQ-GHMZBOCLSA-N 2 2 291.355 -0.579 20 0 CBADLP CC(C)(C(=O)N1CCC[C@@H]([NH2+]CC(N)=O)C1)c1c[nH+]c[nH]1 ZINC001000697456 656759214 /nfs/dbraw/zinc/75/92/14/656759214.db2.gz TVJLVYKIZXXRRC-SNVBAGLBSA-N 2 2 293.371 -0.247 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@H]([NH2+]CCO)C1 ZINC001000696426 656759293 /nfs/dbraw/zinc/75/92/93/656759293.db2.gz QJLATAQRGOPHJO-NSHDSACASA-N 2 2 266.345 -0.465 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]([NH2+]CCO)C1 ZINC001000803859 656765698 /nfs/dbraw/zinc/76/56/98/656765698.db2.gz WLSDHBHHULYKDO-NSHDSACASA-N 2 2 266.345 -0.166 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)N1CCC[C@H]([NH2+]CCO)C1 ZINC001000816671 656767253 /nfs/dbraw/zinc/76/72/53/656767253.db2.gz GDDPZKQVRYKTJD-LBPRGKRZSA-N 2 2 280.372 -0.074 20 0 CBADLP C[N@@H+]1CCCC[C@H]1C(=O)NCC1=CC[NH+](CC(N)=O)CC1 ZINC001000848116 656768165 /nfs/dbraw/zinc/76/81/65/656768165.db2.gz AKXWQXWSACVLIQ-ZDUSSCGKSA-N 2 2 294.399 -0.296 20 0 CBADLP C[N@H+]1CCCC[C@H]1C(=O)NCC1=CC[NH+](CC(N)=O)CC1 ZINC001000848116 656768174 /nfs/dbraw/zinc/76/81/74/656768174.db2.gz AKXWQXWSACVLIQ-ZDUSSCGKSA-N 2 2 294.399 -0.296 20 0 CBADLP C[NH+]1CCCC[C@H]1C(=O)NCC1=CC[N@H+](CC(N)=O)CC1 ZINC001000848116 656768185 /nfs/dbraw/zinc/76/81/85/656768185.db2.gz AKXWQXWSACVLIQ-ZDUSSCGKSA-N 2 2 294.399 -0.296 20 0 CBADLP C[NH+]1CCCC[C@H]1C(=O)NCC1=CC[N@@H+](CC(N)=O)CC1 ZINC001000848116 656768196 /nfs/dbraw/zinc/76/81/96/656768196.db2.gz AKXWQXWSACVLIQ-ZDUSSCGKSA-N 2 2 294.399 -0.296 20 0 CBADLP CC[C@@H]([NH2+][C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1)C(N)=O ZINC001001052899 656792710 /nfs/dbraw/zinc/79/27/10/656792710.db2.gz PVSZUHKUJZYLRE-VXGBXAGGSA-N 2 2 293.371 -0.272 20 0 CBADLP C[C@H]1C[N@H+](CCO)CCN1C(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000909436315 656813325 /nfs/dbraw/zinc/81/33/25/656813325.db2.gz KBWBVWMDQIJVKC-JSGCOSHPSA-N 2 2 297.399 -0.768 20 0 CBADLP C[C@H]1C[N@@H+](CCO)CCN1C(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000909436315 656813327 /nfs/dbraw/zinc/81/33/27/656813327.db2.gz KBWBVWMDQIJVKC-JSGCOSHPSA-N 2 2 297.399 -0.768 20 0 CBADLP C[C@H]1C[N@H+](CCO)CCN1C(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000909436314 656813867 /nfs/dbraw/zinc/81/38/67/656813867.db2.gz KBWBVWMDQIJVKC-GXTWGEPZSA-N 2 2 297.399 -0.768 20 0 CBADLP C[C@H]1C[N@@H+](CCO)CCN1C(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000909436314 656813868 /nfs/dbraw/zinc/81/38/68/656813868.db2.gz KBWBVWMDQIJVKC-GXTWGEPZSA-N 2 2 297.399 -0.768 20 0 CBADLP Cn1c[nH+]c(CCNC(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)c1 ZINC000909856037 656833475 /nfs/dbraw/zinc/83/34/75/656833475.db2.gz JTESPNAQFVBCON-WCQYABFASA-N 2 2 266.345 -0.466 20 0 CBADLP Cn1c[nH+]c(CCNC(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)c1 ZINC000909856037 656833478 /nfs/dbraw/zinc/83/34/78/656833478.db2.gz JTESPNAQFVBCON-WCQYABFASA-N 2 2 266.345 -0.466 20 0 CBADLP CNC(=O)[C@H](C)[NH+]1CCC(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001004258531 656883262 /nfs/dbraw/zinc/88/32/62/656883262.db2.gz SSVZQZGOAZYXFR-NSHDSACASA-N 2 2 293.371 -0.402 20 0 CBADLP CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CC[NH+](C)C(C)(C)C1 ZINC000910774570 656891527 /nfs/dbraw/zinc/89/15/27/656891527.db2.gz KRMPXGKKGFNOCR-LBPRGKRZSA-N 2 2 296.415 -0.251 20 0 CBADLP CC[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CC[NH+](C)C(C)(C)C1 ZINC000910774570 656891533 /nfs/dbraw/zinc/89/15/33/656891533.db2.gz KRMPXGKKGFNOCR-LBPRGKRZSA-N 2 2 296.415 -0.251 20 0 CBADLP CC[NH+]1CC[C@H]1CNC(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000910774570 656891535 /nfs/dbraw/zinc/89/15/35/656891535.db2.gz KRMPXGKKGFNOCR-LBPRGKRZSA-N 2 2 296.415 -0.251 20 0 CBADLP CC[NH+]1CC[C@H]1CNC(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000910774570 656891537 /nfs/dbraw/zinc/89/15/37/656891537.db2.gz KRMPXGKKGFNOCR-LBPRGKRZSA-N 2 2 296.415 -0.251 20 0 CBADLP O=C(NCCn1cc[nH+]c1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000910987014 656922152 /nfs/dbraw/zinc/92/21/52/656922152.db2.gz MNEXPDCUWZRRKF-NWDGAFQWSA-N 2 2 291.355 -0.933 20 0 CBADLP [NH3+]C[C@]12CC[C@@H]1CCN2C(=O)C(=O)NCCn1cc[nH+]c1 ZINC000910986926 656922946 /nfs/dbraw/zinc/92/29/46/656922946.db2.gz LZGIHDXDUBGQCS-BXUZGUMPSA-N 2 2 291.355 -0.661 20 0 CBADLP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)NCCn1cc[nH+]c1 ZINC000910986918 656923921 /nfs/dbraw/zinc/92/39/21/656923921.db2.gz LUHJYIVKZYEFRN-VXGBXAGGSA-N 2 2 293.371 -0.639 20 0 CBADLP CC1(C)C[NH2+]C[C@H]1NC(=O)C(=O)NCCn1cc[nH+]c1 ZINC000910988887 656925379 /nfs/dbraw/zinc/92/53/79/656925379.db2.gz VGHLALCRYVGPBP-SNVBAGLBSA-N 2 2 279.344 -0.887 20 0 CBADLP CN(C)C(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001006921496 656981665 /nfs/dbraw/zinc/98/16/65/656981665.db2.gz ZRUKJTGANQOHKD-QWHCGFSZSA-N 2 2 296.415 -0.251 20 0 CBADLP CN(C)C(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001006921496 656981675 /nfs/dbraw/zinc/98/16/75/656981675.db2.gz ZRUKJTGANQOHKD-QWHCGFSZSA-N 2 2 296.415 -0.251 20 0 CBADLP CN(C)C(=O)C[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001006921496 656981690 /nfs/dbraw/zinc/98/16/90/656981690.db2.gz ZRUKJTGANQOHKD-QWHCGFSZSA-N 2 2 296.415 -0.251 20 0 CBADLP CN(C)C(=O)C[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001006921496 656981705 /nfs/dbraw/zinc/98/17/05/656981705.db2.gz ZRUKJTGANQOHKD-QWHCGFSZSA-N 2 2 296.415 -0.251 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC000911230726 656989997 /nfs/dbraw/zinc/98/99/97/656989997.db2.gz UWHUXMCBHSGOHT-NEPJUHHUSA-N 2 2 293.371 -0.415 20 0 CBADLP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000911245809 656996057 /nfs/dbraw/zinc/99/60/57/656996057.db2.gz CXMSXJDWXPWAQM-NEPJUHHUSA-N 2 2 293.371 -0.639 20 0 CBADLP NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001007350203 657005684 /nfs/dbraw/zinc/00/56/84/657005684.db2.gz PKXDTHMGNDGKIG-CHWSQXEVSA-N 2 2 294.399 -0.606 20 0 CBADLP NC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001007350203 657005688 /nfs/dbraw/zinc/00/56/88/657005688.db2.gz PKXDTHMGNDGKIG-CHWSQXEVSA-N 2 2 294.399 -0.606 20 0 CBADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[NH+](CC(N)=O)C2)CC[N@@H+]1C ZINC001007370583 657007702 /nfs/dbraw/zinc/00/77/02/657007702.db2.gz BUYBQZWRAYACCZ-IJLUTSLNSA-N 2 2 282.388 -0.608 20 0 CBADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[NH+](CC(N)=O)C2)CC[N@H+]1C ZINC001007370583 657007708 /nfs/dbraw/zinc/00/77/08/657007708.db2.gz BUYBQZWRAYACCZ-IJLUTSLNSA-N 2 2 282.388 -0.608 20 0 CBADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[N@H+](CC(N)=O)C2)CC[NH+]1C ZINC001007370583 657007713 /nfs/dbraw/zinc/00/77/13/657007713.db2.gz BUYBQZWRAYACCZ-IJLUTSLNSA-N 2 2 282.388 -0.608 20 0 CBADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)C2)CC[NH+]1C ZINC001007370583 657007718 /nfs/dbraw/zinc/00/77/18/657007718.db2.gz BUYBQZWRAYACCZ-IJLUTSLNSA-N 2 2 282.388 -0.608 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001007943082 657027193 /nfs/dbraw/zinc/02/71/93/657027193.db2.gz HKAGGERWIWXYJR-RYUDHWBXSA-N 2 2 293.371 -0.354 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001007943082 657027197 /nfs/dbraw/zinc/02/71/97/657027197.db2.gz HKAGGERWIWXYJR-RYUDHWBXSA-N 2 2 293.371 -0.354 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001008398336 657043441 /nfs/dbraw/zinc/04/34/41/657043441.db2.gz ICVAJVFZQHOSGB-AAEUAGOBSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001008398336 657043445 /nfs/dbraw/zinc/04/34/45/657043445.db2.gz ICVAJVFZQHOSGB-AAEUAGOBSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001008398338 657043877 /nfs/dbraw/zinc/04/38/77/657043877.db2.gz ICVAJVFZQHOSGB-DGCLKSJQSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001008398338 657043882 /nfs/dbraw/zinc/04/38/82/657043882.db2.gz ICVAJVFZQHOSGB-DGCLKSJQSA-N 2 2 296.415 -0.217 20 0 CBADLP CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001009223279 657068766 /nfs/dbraw/zinc/06/87/66/657068766.db2.gz GQYJUCJQJCHJHI-GFCCVEGCSA-N 2 2 294.399 -0.591 20 0 CBADLP CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001009223279 657068770 /nfs/dbraw/zinc/06/87/70/657068770.db2.gz GQYJUCJQJCHJHI-GFCCVEGCSA-N 2 2 294.399 -0.591 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001009227684 657070441 /nfs/dbraw/zinc/07/04/41/657070441.db2.gz VWFRNPJIDZHQAF-VXGBXAGGSA-N 2 2 294.399 -0.463 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001009227684 657070444 /nfs/dbraw/zinc/07/04/44/657070444.db2.gz VWFRNPJIDZHQAF-VXGBXAGGSA-N 2 2 294.399 -0.463 20 0 CBADLP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC000911543259 657074011 /nfs/dbraw/zinc/07/40/11/657074011.db2.gz AKUZCQAVLQUDGN-JTQLQIEISA-N 2 2 279.344 -0.469 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001009535989 657078810 /nfs/dbraw/zinc/07/88/10/657078810.db2.gz IFQBWBCPFHFEKN-STQMWFEESA-N 2 2 296.415 -0.073 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001009535989 657078816 /nfs/dbraw/zinc/07/88/16/657078816.db2.gz IFQBWBCPFHFEKN-STQMWFEESA-N 2 2 296.415 -0.073 20 0 CBADLP [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC000911562981 657078877 /nfs/dbraw/zinc/07/88/77/657078877.db2.gz HGHSYOMAWMZVDA-XYPYZODXSA-N 2 2 280.372 -0.854 20 0 CBADLP [NH3+][C@H](CC(=O)NCCCN1CC[NH2+]CC1)C(F)F ZINC000911629712 657088459 /nfs/dbraw/zinc/08/84/59/657088459.db2.gz IBKHZQUKPWDCOP-SECBINFHSA-N 2 2 264.320 -0.620 20 0 CBADLP [NH3+]CCCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000911648670 657094995 /nfs/dbraw/zinc/09/49/95/657094995.db2.gz SYSNHJQNNUMESG-NEPJUHHUSA-N 2 2 271.361 -0.669 20 0 CBADLP [NH3+]C[C@H](NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)C1CC1 ZINC000911836493 657144169 /nfs/dbraw/zinc/14/41/69/657144169.db2.gz ZEZCXJMUXDLWFF-RDBSUJKOSA-N 2 2 297.399 -0.280 20 0 CBADLP C/C=C/[C@@H](O)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000912387611 657247275 /nfs/dbraw/zinc/24/72/75/657247275.db2.gz QEENIKDNJMNRJM-HOSRBBHYSA-N 2 2 257.378 -0.077 20 0 CBADLP C/C=C/[C@@H](O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000912387611 657247286 /nfs/dbraw/zinc/24/72/86/657247286.db2.gz QEENIKDNJMNRJM-HOSRBBHYSA-N 2 2 257.378 -0.077 20 0 CBADLP C/C=C\[C@@H](O)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000912387614 657246490 /nfs/dbraw/zinc/24/64/90/657246490.db2.gz QEENIKDNJMNRJM-SMYYYNMVSA-N 2 2 257.378 -0.077 20 0 CBADLP C/C=C\[C@@H](O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000912387614 657246501 /nfs/dbraw/zinc/24/65/01/657246501.db2.gz QEENIKDNJMNRJM-SMYYYNMVSA-N 2 2 257.378 -0.077 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CCC(N)=O ZINC000912386475 657247894 /nfs/dbraw/zinc/24/78/94/657247894.db2.gz FGVGMIKDVNJJBJ-UHFFFAOYSA-N 2 2 258.366 -0.748 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CCC(N)=O ZINC000912386475 657247901 /nfs/dbraw/zinc/24/79/01/657247901.db2.gz FGVGMIKDVNJJBJ-UHFFFAOYSA-N 2 2 258.366 -0.748 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1C[C@@H]1C(N)=O ZINC000912386917 657248054 /nfs/dbraw/zinc/24/80/54/657248054.db2.gz KSUPUFCAHGSBKF-WDEREUQCSA-N 2 2 270.377 -0.893 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1C[C@@H]1C(N)=O ZINC000912386917 657248063 /nfs/dbraw/zinc/24/80/63/657248063.db2.gz KSUPUFCAHGSBKF-WDEREUQCSA-N 2 2 270.377 -0.893 20 0 CBADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CC[N@H+](C)CCO ZINC000912599317 657289114 /nfs/dbraw/zinc/28/91/14/657289114.db2.gz NLCCKNUCOGXBPE-NSHDSACASA-N 2 2 268.361 -0.029 20 0 CBADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CC[N@@H+](C)CCO ZINC000912599317 657289126 /nfs/dbraw/zinc/28/91/26/657289126.db2.gz NLCCKNUCOGXBPE-NSHDSACASA-N 2 2 268.361 -0.029 20 0 CBADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CC[N@H+](C)CCO ZINC000912599317 657289134 /nfs/dbraw/zinc/28/91/34/657289134.db2.gz NLCCKNUCOGXBPE-NSHDSACASA-N 2 2 268.361 -0.029 20 0 CBADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CC[N@@H+](C)CCO ZINC000912599317 657289138 /nfs/dbraw/zinc/28/91/38/657289138.db2.gz NLCCKNUCOGXBPE-NSHDSACASA-N 2 2 268.361 -0.029 20 0 CBADLP CN(CC[N@H+](C)CCO)C(=O)CCc1c[nH]c[nH+]1 ZINC000912605076 657294797 /nfs/dbraw/zinc/29/47/97/657294797.db2.gz CZHJLSKJFRPLKB-UHFFFAOYSA-N 2 2 254.334 -0.275 20 0 CBADLP CN(CC[N@@H+](C)CCO)C(=O)CCc1c[nH]c[nH+]1 ZINC000912605076 657294801 /nfs/dbraw/zinc/29/48/01/657294801.db2.gz CZHJLSKJFRPLKB-UHFFFAOYSA-N 2 2 254.334 -0.275 20 0 CBADLP CN(CC[N@H+](C)CCO)C(=O)CCc1c[nH+]c[nH]1 ZINC000912605076 657294804 /nfs/dbraw/zinc/29/48/04/657294804.db2.gz CZHJLSKJFRPLKB-UHFFFAOYSA-N 2 2 254.334 -0.275 20 0 CBADLP CN(CC[N@@H+](C)CCO)C(=O)CCc1c[nH+]c[nH]1 ZINC000912605076 657294808 /nfs/dbraw/zinc/29/48/08/657294808.db2.gz CZHJLSKJFRPLKB-UHFFFAOYSA-N 2 2 254.334 -0.275 20 0 CBADLP C[N@@H+]1CCN(C(=O)[C@H]2CC[NH+]2C(C)(C)C)[C@@H](CO)C1 ZINC000912736333 657319306 /nfs/dbraw/zinc/31/93/06/657319306.db2.gz SIAXQADNSCGZAD-VXGBXAGGSA-N 2 2 269.389 -0.006 20 0 CBADLP C[N@H+]1CCN(C(=O)[C@H]2CC[NH+]2C(C)(C)C)[C@@H](CO)C1 ZINC000912736333 657319318 /nfs/dbraw/zinc/31/93/18/657319318.db2.gz SIAXQADNSCGZAD-VXGBXAGGSA-N 2 2 269.389 -0.006 20 0 CBADLP C[NH+]1CCN(C(=O)[C@H]2CC[N@@H+]2C(C)(C)C)[C@@H](CO)C1 ZINC000912736333 657319331 /nfs/dbraw/zinc/31/93/31/657319331.db2.gz SIAXQADNSCGZAD-VXGBXAGGSA-N 2 2 269.389 -0.006 20 0 CBADLP C[NH+]1CCN(C(=O)[C@H]2CC[N@H+]2C(C)(C)C)[C@@H](CO)C1 ZINC000912736333 657319342 /nfs/dbraw/zinc/31/93/42/657319342.db2.gz SIAXQADNSCGZAD-VXGBXAGGSA-N 2 2 269.389 -0.006 20 0 CBADLP C[N@H+](CC(=O)N1CC[NH+](C)C[C@@H]1CO)[C@H]1CCSC1 ZINC000912741330 657333342 /nfs/dbraw/zinc/33/33/42/657333342.db2.gz SFNDUTGWLSRHHZ-NWDGAFQWSA-N 2 2 287.429 -0.441 20 0 CBADLP C[N@@H+](CC(=O)N1CC[NH+](C)C[C@@H]1CO)[C@H]1CCSC1 ZINC000912741330 657333346 /nfs/dbraw/zinc/33/33/46/657333346.db2.gz SFNDUTGWLSRHHZ-NWDGAFQWSA-N 2 2 287.429 -0.441 20 0 CBADLP C[NH+](CC(=O)N1CC[N@H+](C)C[C@@H]1CO)[C@H]1CCSC1 ZINC000912741330 657333349 /nfs/dbraw/zinc/33/33/49/657333349.db2.gz SFNDUTGWLSRHHZ-NWDGAFQWSA-N 2 2 287.429 -0.441 20 0 CBADLP C[NH+](CC(=O)N1CC[N@@H+](C)C[C@@H]1CO)[C@H]1CCSC1 ZINC000912741330 657333354 /nfs/dbraw/zinc/33/33/54/657333354.db2.gz SFNDUTGWLSRHHZ-NWDGAFQWSA-N 2 2 287.429 -0.441 20 0 CBADLP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001014724969 657380009 /nfs/dbraw/zinc/38/00/09/657380009.db2.gz YSKDIELHONCVJO-CHWSQXEVSA-N 2 2 296.415 -0.075 20 0 CBADLP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001014724969 657380012 /nfs/dbraw/zinc/38/00/12/657380012.db2.gz YSKDIELHONCVJO-CHWSQXEVSA-N 2 2 296.415 -0.075 20 0 CBADLP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001014724969 657380015 /nfs/dbraw/zinc/38/00/15/657380015.db2.gz YSKDIELHONCVJO-CHWSQXEVSA-N 2 2 296.415 -0.075 20 0 CBADLP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001014724969 657380019 /nfs/dbraw/zinc/38/00/19/657380019.db2.gz YSKDIELHONCVJO-CHWSQXEVSA-N 2 2 296.415 -0.075 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001015288849 657428764 /nfs/dbraw/zinc/42/87/64/657428764.db2.gz GPKBHVWLTAJQGC-VXGBXAGGSA-N 2 2 293.371 -0.483 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001015288849 657428778 /nfs/dbraw/zinc/42/87/78/657428778.db2.gz GPKBHVWLTAJQGC-VXGBXAGGSA-N 2 2 293.371 -0.483 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001015288806 657428927 /nfs/dbraw/zinc/42/89/27/657428927.db2.gz GLEQCEOMBXEWDN-RYUDHWBXSA-N 2 2 293.371 -0.354 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001015288806 657428936 /nfs/dbraw/zinc/42/89/36/657428936.db2.gz GLEQCEOMBXEWDN-RYUDHWBXSA-N 2 2 293.371 -0.354 20 0 CBADLP Cn1cc([C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)CC[NH2+]2)cn1 ZINC000913460635 657458390 /nfs/dbraw/zinc/45/83/90/657458390.db2.gz LSISUOPPYIWMEZ-WCQYABFASA-N 2 2 277.372 -0.155 20 0 CBADLP Cn1cc([C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)CC[NH2+]2)cn1 ZINC000913460635 657458395 /nfs/dbraw/zinc/45/83/95/657458395.db2.gz LSISUOPPYIWMEZ-WCQYABFASA-N 2 2 277.372 -0.155 20 0 CBADLP CN(C[C@@H]1C[N@H+](C)CCO1)C(=O)C[C@]1(O)CCC[NH+](C)C1 ZINC000913508152 657483089 /nfs/dbraw/zinc/48/30/89/657483089.db2.gz WMHVWKOKSBIATC-DZGCQCFKSA-N 2 2 299.415 -0.378 20 0 CBADLP CN(C[C@@H]1C[N@@H+](C)CCO1)C(=O)C[C@]1(O)CCC[NH+](C)C1 ZINC000913508152 657483097 /nfs/dbraw/zinc/48/30/97/657483097.db2.gz WMHVWKOKSBIATC-DZGCQCFKSA-N 2 2 299.415 -0.378 20 0 CBADLP CN(C[C@@H]1C[NH+](C)CCO1)C(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000913508152 657483099 /nfs/dbraw/zinc/48/30/99/657483099.db2.gz WMHVWKOKSBIATC-DZGCQCFKSA-N 2 2 299.415 -0.378 20 0 CBADLP CN(C[C@@H]1C[NH+](C)CCO1)C(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000913508152 657483105 /nfs/dbraw/zinc/48/31/05/657483105.db2.gz WMHVWKOKSBIATC-DZGCQCFKSA-N 2 2 299.415 -0.378 20 0 CBADLP C[NH+](C)CCn1cc(C(=O)N2CC[N@H+](C)[C@@H](CO)C2)cn1 ZINC000913540906 657499886 /nfs/dbraw/zinc/49/98/86/657499886.db2.gz APHHENITZHFYHX-CYBMUJFWSA-N 2 2 295.387 -0.807 20 0 CBADLP C[NH+](C)CCn1cc(C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)cn1 ZINC000913540906 657499893 /nfs/dbraw/zinc/49/98/93/657499893.db2.gz APHHENITZHFYHX-CYBMUJFWSA-N 2 2 295.387 -0.807 20 0 CBADLP C[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)CC1 ZINC001015648520 657504690 /nfs/dbraw/zinc/50/46/90/657504690.db2.gz HTDQRTRSPLAAHO-LLVKDONJSA-N 2 2 268.361 -0.996 20 0 CBADLP C[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)CC1 ZINC001015648520 657504694 /nfs/dbraw/zinc/50/46/94/657504694.db2.gz HTDQRTRSPLAAHO-LLVKDONJSA-N 2 2 268.361 -0.996 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001015701501 657520497 /nfs/dbraw/zinc/52/04/97/657520497.db2.gz GGSLENWQIYCLBH-NEPJUHHUSA-N 2 2 282.388 -0.593 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001015701501 657520510 /nfs/dbraw/zinc/52/05/10/657520510.db2.gz GGSLENWQIYCLBH-NEPJUHHUSA-N 2 2 282.388 -0.593 20 0 CBADLP CNC(=O)C[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001015701501 657520520 /nfs/dbraw/zinc/52/05/20/657520520.db2.gz GGSLENWQIYCLBH-NEPJUHHUSA-N 2 2 282.388 -0.593 20 0 CBADLP CNC(=O)C[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001015701501 657520531 /nfs/dbraw/zinc/52/05/31/657520531.db2.gz GGSLENWQIYCLBH-NEPJUHHUSA-N 2 2 282.388 -0.593 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001015707167 657524589 /nfs/dbraw/zinc/52/45/89/657524589.db2.gz NDWOKIKDFJJSPW-NWDGAFQWSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001015707167 657524592 /nfs/dbraw/zinc/52/45/92/657524592.db2.gz NDWOKIKDFJJSPW-NWDGAFQWSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001015707167 657524596 /nfs/dbraw/zinc/52/45/96/657524596.db2.gz NDWOKIKDFJJSPW-NWDGAFQWSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001015707167 657524603 /nfs/dbraw/zinc/52/46/03/657524603.db2.gz NDWOKIKDFJJSPW-NWDGAFQWSA-N 2 2 296.415 -0.217 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001015705179 657524640 /nfs/dbraw/zinc/52/46/40/657524640.db2.gz IPVQTCFUYGUAGL-NEPJUHHUSA-N 2 2 282.388 -0.735 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001015705179 657524643 /nfs/dbraw/zinc/52/46/43/657524643.db2.gz IPVQTCFUYGUAGL-NEPJUHHUSA-N 2 2 282.388 -0.735 20 0 CBADLP CNC(=O)C[NH+]1CC[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001015705179 657524647 /nfs/dbraw/zinc/52/46/47/657524647.db2.gz IPVQTCFUYGUAGL-NEPJUHHUSA-N 2 2 282.388 -0.735 20 0 CBADLP CNC(=O)C[NH+]1CC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001015705179 657524650 /nfs/dbraw/zinc/52/46/50/657524650.db2.gz IPVQTCFUYGUAGL-NEPJUHHUSA-N 2 2 282.388 -0.735 20 0 CBADLP CC[N@H+](CC(=O)N1CC[NH+](C)[C@H](CO)C1)C1CC1 ZINC000913547476 657527354 /nfs/dbraw/zinc/52/73/54/657527354.db2.gz OZNKPYPIYLNYGG-LBPRGKRZSA-N 2 2 255.362 -0.394 20 0 CBADLP CC[N@@H+](CC(=O)N1CC[NH+](C)[C@H](CO)C1)C1CC1 ZINC000913547476 657527367 /nfs/dbraw/zinc/52/73/67/657527367.db2.gz OZNKPYPIYLNYGG-LBPRGKRZSA-N 2 2 255.362 -0.394 20 0 CBADLP CC[NH+](CC(=O)N1CC[N@H+](C)[C@H](CO)C1)C1CC1 ZINC000913547476 657527374 /nfs/dbraw/zinc/52/73/74/657527374.db2.gz OZNKPYPIYLNYGG-LBPRGKRZSA-N 2 2 255.362 -0.394 20 0 CBADLP CC[NH+](CC(=O)N1CC[N@@H+](C)[C@H](CO)C1)C1CC1 ZINC000913547476 657527386 /nfs/dbraw/zinc/52/73/86/657527386.db2.gz OZNKPYPIYLNYGG-LBPRGKRZSA-N 2 2 255.362 -0.394 20 0 CBADLP CC1CC[NH+](CC(=O)N2CC[N@H+](C)[C@H](CO)C2)CC1 ZINC000913547869 657527516 /nfs/dbraw/zinc/52/75/16/657527516.db2.gz YCTDEICXEJQKPM-ZDUSSCGKSA-N 2 2 269.389 -0.147 20 0 CBADLP CC1CC[NH+](CC(=O)N2CC[N@@H+](C)[C@H](CO)C2)CC1 ZINC000913547869 657527529 /nfs/dbraw/zinc/52/75/29/657527529.db2.gz YCTDEICXEJQKPM-ZDUSSCGKSA-N 2 2 269.389 -0.147 20 0 CBADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C)[C@H](CO)C1 ZINC000913551686 657538812 /nfs/dbraw/zinc/53/88/12/657538812.db2.gz WMPYNCZVSCCCAR-QWHCGFSZSA-N 2 2 269.389 -0.004 20 0 CBADLP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C)[C@H](CO)C1 ZINC000913551686 657538824 /nfs/dbraw/zinc/53/88/24/657538824.db2.gz WMPYNCZVSCCCAR-QWHCGFSZSA-N 2 2 269.389 -0.004 20 0 CBADLP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000913551686 657538830 /nfs/dbraw/zinc/53/88/30/657538830.db2.gz WMPYNCZVSCCCAR-QWHCGFSZSA-N 2 2 269.389 -0.004 20 0 CBADLP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000913551686 657538844 /nfs/dbraw/zinc/53/88/44/657538844.db2.gz WMPYNCZVSCCCAR-QWHCGFSZSA-N 2 2 269.389 -0.004 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[N@H+](CCO)C1 ZINC001016002509 657628792 /nfs/dbraw/zinc/62/87/92/657628792.db2.gz VOLZLSMSVZPOJG-JTQLQIEISA-N 2 2 252.318 -0.855 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[N@@H+](CCO)C1 ZINC001016002509 657628800 /nfs/dbraw/zinc/62/88/00/657628800.db2.gz VOLZLSMSVZPOJG-JTQLQIEISA-N 2 2 252.318 -0.855 20 0 CBADLP C[C@@H](CNC(=O)NC[C@@H]1CC[N@@H+]1C)[NH+]1CCOCC1 ZINC000914067528 657652772 /nfs/dbraw/zinc/65/27/72/657652772.db2.gz VEUIOXUVTCIMKW-RYUDHWBXSA-N 2 2 270.377 -0.290 20 0 CBADLP C[C@@H](CNC(=O)NC[C@@H]1CC[N@H+]1C)[NH+]1CCOCC1 ZINC000914067528 657652778 /nfs/dbraw/zinc/65/27/78/657652778.db2.gz VEUIOXUVTCIMKW-RYUDHWBXSA-N 2 2 270.377 -0.290 20 0 CBADLP O=C(C[NH+]1CCCC1)N[C@@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001016258023 657674306 /nfs/dbraw/zinc/67/43/06/657674306.db2.gz BXAGGVZMKHCWHU-CYBMUJFWSA-N 2 2 294.399 -0.495 20 0 CBADLP O=C(C[NH+]1CCCC1)N[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001016258023 657674325 /nfs/dbraw/zinc/67/43/25/657674325.db2.gz BXAGGVZMKHCWHU-CYBMUJFWSA-N 2 2 294.399 -0.495 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001016260159 657674496 /nfs/dbraw/zinc/67/44/96/657674496.db2.gz NCAFTAXCOUKCNM-GXSJLCMTSA-N 2 2 279.344 -0.744 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001016260159 657674504 /nfs/dbraw/zinc/67/45/04/657674504.db2.gz NCAFTAXCOUKCNM-GXSJLCMTSA-N 2 2 279.344 -0.744 20 0 CBADLP COCC(=O)NC1CC[NH+](C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000915680229 657746816 /nfs/dbraw/zinc/74/68/16/657746816.db2.gz AQPKYGFFFLFNPH-AWEZNQCLSA-N 2 2 299.415 -0.330 20 0 CBADLP C[C@@H](O)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001017441087 657761743 /nfs/dbraw/zinc/76/17/43/657761743.db2.gz NQPMIKSQLUEWOG-MQYQWHSLSA-N 2 2 297.399 -0.627 20 0 CBADLP C[C@@H](O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001017441087 657761750 /nfs/dbraw/zinc/76/17/50/657761750.db2.gz NQPMIKSQLUEWOG-MQYQWHSLSA-N 2 2 297.399 -0.627 20 0 CBADLP C[C@@H](O)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001017441087 657761762 /nfs/dbraw/zinc/76/17/62/657761762.db2.gz NQPMIKSQLUEWOG-MQYQWHSLSA-N 2 2 297.399 -0.627 20 0 CBADLP C[C@@H](O)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001017441087 657761773 /nfs/dbraw/zinc/76/17/73/657761773.db2.gz NQPMIKSQLUEWOG-MQYQWHSLSA-N 2 2 297.399 -0.627 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)NC[C@H]2C[NH+](C)CCO2)CC[N@@H+]1C ZINC000916882182 657792556 /nfs/dbraw/zinc/79/25/56/657792556.db2.gz FQDBGFNWKXLQII-WOPDTQHZSA-N 2 2 270.377 -0.291 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)NC[C@H]2C[NH+](C)CCO2)CC[N@H+]1C ZINC000916882182 657792563 /nfs/dbraw/zinc/79/25/63/657792563.db2.gz FQDBGFNWKXLQII-WOPDTQHZSA-N 2 2 270.377 -0.291 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)NC[C@H]2C[N@H+](C)CCO2)CC[NH+]1C ZINC000916882182 657792573 /nfs/dbraw/zinc/79/25/73/657792573.db2.gz FQDBGFNWKXLQII-WOPDTQHZSA-N 2 2 270.377 -0.291 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)NC[C@H]2C[N@@H+](C)CCO2)CC[NH+]1C ZINC000916882182 657792577 /nfs/dbraw/zinc/79/25/77/657792577.db2.gz FQDBGFNWKXLQII-WOPDTQHZSA-N 2 2 270.377 -0.291 20 0 CBADLP C[C@H](O)C[NH2+][C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001018783997 657845389 /nfs/dbraw/zinc/84/53/89/657845389.db2.gz ZEWCEQKIVKQJTI-QWRGUYRKSA-N 2 2 266.345 -0.086 20 0 CBADLP C[C@@H](O)C[NH2+][C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001018950172 657854709 /nfs/dbraw/zinc/85/47/09/657854709.db2.gz XJEAATFBGAKXSI-PWSUYJOCSA-N 2 2 266.345 -0.086 20 0 CBADLP C[C@@H](O)C[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001018950172 657854712 /nfs/dbraw/zinc/85/47/12/657854712.db2.gz XJEAATFBGAKXSI-PWSUYJOCSA-N 2 2 266.345 -0.086 20 0 CBADLP C[C@H](CNC(=O)NC[C@H]1CC[N@@H+]1C)C[NH+]1CCOCC1 ZINC000919731840 657859365 /nfs/dbraw/zinc/85/93/65/657859365.db2.gz BEWRHBVUKVVDQC-CHWSQXEVSA-N 2 2 284.404 -0.042 20 0 CBADLP C[C@H](CNC(=O)NC[C@H]1CC[N@H+]1C)C[NH+]1CCOCC1 ZINC000919731840 657859368 /nfs/dbraw/zinc/85/93/68/657859368.db2.gz BEWRHBVUKVVDQC-CHWSQXEVSA-N 2 2 284.404 -0.042 20 0 CBADLP NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001019061326 657861373 /nfs/dbraw/zinc/86/13/73/657861373.db2.gz YSHSBMQWMKQEDS-QWRGUYRKSA-N 2 2 291.355 -0.879 20 0 CBADLP NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001019060796 657861455 /nfs/dbraw/zinc/86/14/55/657861455.db2.gz GUBOZKXHHPUSCU-QWRGUYRKSA-N 2 2 291.355 -0.879 20 0 CBADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1CC[C@H]([NH2+]CCO)C1 ZINC001019061374 657861543 /nfs/dbraw/zinc/86/15/43/657861543.db2.gz ZWYVMDCMCQXZRN-RYUDHWBXSA-N 2 2 278.356 -0.372 20 0 CBADLP C[C@H](CNC(=O)NC[C@H]1CC[N@@H+]1C)CN1CC[NH+](C)CC1 ZINC000920453113 657876745 /nfs/dbraw/zinc/87/67/45/657876745.db2.gz XRFGZMUGOHJROK-ZIAGYGMSSA-N 2 2 297.447 -0.127 20 0 CBADLP C[C@H](CNC(=O)NC[C@H]1CC[N@H+]1C)CN1CC[NH+](C)CC1 ZINC000920453113 657876751 /nfs/dbraw/zinc/87/67/51/657876751.db2.gz XRFGZMUGOHJROK-ZIAGYGMSSA-N 2 2 297.447 -0.127 20 0 CBADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H]([NH2+]CCO)C1 ZINC001019404351 657893280 /nfs/dbraw/zinc/89/32/80/657893280.db2.gz KFRURBGBIHKFQH-QJPTWQEYSA-N 2 2 278.356 -0.294 20 0 CBADLP C[C@H]([NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1)C(N)=O ZINC001019437588 657894847 /nfs/dbraw/zinc/89/48/47/657894847.db2.gz RRZXLVPPEQDCSK-IUCAKERBSA-N 2 2 265.317 -0.984 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]([NH2+]CCn2cncn2)C1 ZINC001019436249 657895101 /nfs/dbraw/zinc/89/51/01/657895101.db2.gz UJFMOCNUYQMVFT-NSHDSACASA-N 2 2 289.343 -0.566 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001019564510 657913155 /nfs/dbraw/zinc/91/31/55/657913155.db2.gz SZKZHXFBMGOTMA-VHSXEESVSA-N 2 2 277.328 -0.969 20 0 CBADLP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3cnon3)C2)C1 ZINC001019772382 657939203 /nfs/dbraw/zinc/93/92/03/657939203.db2.gz COBYLEFJJSIDPW-MNOVXSKESA-N 2 2 279.344 -0.288 20 0 CBADLP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3cnon3)C2)C1 ZINC001019772382 657939215 /nfs/dbraw/zinc/93/92/15/657939215.db2.gz COBYLEFJJSIDPW-MNOVXSKESA-N 2 2 279.344 -0.288 20 0 CBADLP C[C@H](O)C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001019867617 657953943 /nfs/dbraw/zinc/95/39/43/657953943.db2.gz BAZHVLZANHDDIX-QWRGUYRKSA-N 2 2 252.318 -0.546 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]([NH2+]CCn2cccn2)C1 ZINC001019867707 657954177 /nfs/dbraw/zinc/95/41/77/657954177.db2.gz GKHNIRFEMWDWBG-ZDUSSCGKSA-N 2 2 288.355 -0.030 20 0 CBADLP O=C(N[C@H]1C[C@H]([NH2+]CCO)C1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001020312791 658036990 /nfs/dbraw/zinc/03/69/90/658036990.db2.gz UKCDAXFAHOTEKG-IJLUTSLNSA-N 2 2 278.356 -0.325 20 0 CBADLP NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001020312761 658037114 /nfs/dbraw/zinc/03/71/14/658037114.db2.gz SJXCSLIDXXEQCL-DCAQKATOSA-N 2 2 291.355 -0.832 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1C[C@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001020635145 658082317 /nfs/dbraw/zinc/08/23/17/658082317.db2.gz GXPSVXQTBLADAV-CKYFFXLPSA-N 2 2 291.355 -0.532 20 0 CBADLP CN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)C1=O ZINC001020819396 658095871 /nfs/dbraw/zinc/09/58/71/658095871.db2.gz XNGPBIMLRJQRQJ-DCAQKATOSA-N 2 2 291.355 -0.580 20 0 CBADLP Cn1ncnc1C[NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001021126864 658153156 /nfs/dbraw/zinc/15/31/56/658153156.db2.gz ZPCDKKHFAQGDLD-XYPYZODXSA-N 2 2 289.343 -0.551 20 0 CBADLP Cn1cc(C[NH2+][C@H]2C[C@H](NC(=O)Cn3cc[nH+]c3)C2)nn1 ZINC001021126614 658155332 /nfs/dbraw/zinc/15/53/32/658155332.db2.gz TUSGIOMXNFLBFA-XYPYZODXSA-N 2 2 289.343 -0.551 20 0 CBADLP O[C@H](COC[C@H]1CCCO1)C[N@@H+]1CCC[NH2+]CC1 ZINC000923278221 658192907 /nfs/dbraw/zinc/19/29/07/658192907.db2.gz RCWWEQAFYGQQCJ-QWHCGFSZSA-N 2 2 258.362 -0.162 20 0 CBADLP O[C@H](COC[C@H]1CCCO1)C[N@H+]1CCC[NH2+]CC1 ZINC000923278221 658192924 /nfs/dbraw/zinc/19/29/24/658192924.db2.gz RCWWEQAFYGQQCJ-QWHCGFSZSA-N 2 2 258.362 -0.162 20 0 CBADLP [NH3+]C[C@H]1CCC[N@@H+]1C[C@@H](O)COC1CCOCC1 ZINC000923292951 658194221 /nfs/dbraw/zinc/19/42/21/658194221.db2.gz LQKVWTCXCBLKLP-VXGBXAGGSA-N 2 2 258.362 -0.034 20 0 CBADLP [NH3+]C[C@H]1CCC[N@H+]1C[C@@H](O)COC1CCOCC1 ZINC000923292951 658194225 /nfs/dbraw/zinc/19/42/25/658194225.db2.gz LQKVWTCXCBLKLP-VXGBXAGGSA-N 2 2 258.362 -0.034 20 0 CBADLP [NH3+]C[C@@H]1CCC[N@@H+]1C[C@@H](O)COC[C@@H]1CCCO1 ZINC000923291617 658194893 /nfs/dbraw/zinc/19/48/93/658194893.db2.gz DRVRNLICTDMSKX-XQQFMLRXSA-N 2 2 258.362 -0.034 20 0 CBADLP [NH3+]C[C@@H]1CCC[N@H+]1C[C@@H](O)COC[C@@H]1CCCO1 ZINC000923291617 658194909 /nfs/dbraw/zinc/19/49/09/658194909.db2.gz DRVRNLICTDMSKX-XQQFMLRXSA-N 2 2 258.362 -0.034 20 0 CBADLP CN1CC(=O)N(CC[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)C1=O ZINC000923359744 658227867 /nfs/dbraw/zinc/22/78/67/658227867.db2.gz UHLXOJARWPWJHD-MNOVXSKESA-N 2 2 266.345 -0.436 20 0 CBADLP CN1CC(=O)N(CC[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)C1=O ZINC000923359744 658227880 /nfs/dbraw/zinc/22/78/80/658227880.db2.gz UHLXOJARWPWJHD-MNOVXSKESA-N 2 2 266.345 -0.436 20 0 CBADLP CN1CC(=O)N(CC[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)C1=O ZINC000923359745 658229383 /nfs/dbraw/zinc/22/93/83/658229383.db2.gz UHLXOJARWPWJHD-QWRGUYRKSA-N 2 2 266.345 -0.436 20 0 CBADLP CN1CC(=O)N(CC[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)C1=O ZINC000923359745 658229394 /nfs/dbraw/zinc/22/93/94/658229394.db2.gz UHLXOJARWPWJHD-QWRGUYRKSA-N 2 2 266.345 -0.436 20 0 CBADLP COC(=O)C[C@@H]1C[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC000923373763 658238566 /nfs/dbraw/zinc/23/85/66/658238566.db2.gz QZJMWKWFMOXUFA-NEPJUHHUSA-N 2 2 284.356 -0.371 20 0 CBADLP COC(=O)C[C@@H]1C[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC000923373763 658238577 /nfs/dbraw/zinc/23/85/77/658238577.db2.gz QZJMWKWFMOXUFA-NEPJUHHUSA-N 2 2 284.356 -0.371 20 0 CBADLP CCCN1CCC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1=O ZINC000923373403 658239349 /nfs/dbraw/zinc/23/93/49/658239349.db2.gz OBYJQNNMGVTJGI-SRVKXCTJSA-N 2 2 255.362 -0.219 20 0 CBADLP CCCN1CCC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1=O ZINC000923373403 658239367 /nfs/dbraw/zinc/23/93/67/658239367.db2.gz OBYJQNNMGVTJGI-SRVKXCTJSA-N 2 2 255.362 -0.219 20 0 CBADLP [NH3+]C[C@H]1CCC[N@@H+]1C[C@H](O)COC[C@H]1CCCO1 ZINC000923426436 658275140 /nfs/dbraw/zinc/27/51/40/658275140.db2.gz DRVRNLICTDMSKX-FRRDWIJNSA-N 2 2 258.362 -0.034 20 0 CBADLP [NH3+]C[C@H]1CCC[N@H+]1C[C@H](O)COC[C@H]1CCCO1 ZINC000923426436 658275145 /nfs/dbraw/zinc/27/51/45/658275145.db2.gz DRVRNLICTDMSKX-FRRDWIJNSA-N 2 2 258.362 -0.034 20 0 CBADLP [NH3+][C@H]1CCC[N@H+](C[C@@H](O)COC[C@H]2CCCO2)C1 ZINC000923431313 658277397 /nfs/dbraw/zinc/27/73/97/658277397.db2.gz STOWHEYKZFIKJF-YNEHKIRRSA-N 2 2 258.362 -0.034 20 0 CBADLP [NH3+][C@H]1CCC[N@@H+](C[C@@H](O)COC[C@H]2CCCO2)C1 ZINC000923431313 658277415 /nfs/dbraw/zinc/27/74/15/658277415.db2.gz STOWHEYKZFIKJF-YNEHKIRRSA-N 2 2 258.362 -0.034 20 0 CBADLP C[C@@H]1CN[C@@H](C)[C@H](C)[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000923436947 658280549 /nfs/dbraw/zinc/28/05/49/658280549.db2.gz QWFFSYWYFWKUCC-AGIUHOORSA-N 2 2 268.405 -0.121 20 0 CBADLP C[C@@H]1CN[C@@H](C)[C@H](C)[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000923436947 658280562 /nfs/dbraw/zinc/28/05/62/658280562.db2.gz QWFFSYWYFWKUCC-AGIUHOORSA-N 2 2 268.405 -0.121 20 0 CBADLP O=C(CC[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1)N1CCOCC1 ZINC000923461648 658291608 /nfs/dbraw/zinc/29/16/08/658291608.db2.gz FZRIEUXYHPQNCN-QWHCGFSZSA-N 2 2 267.373 -0.081 20 0 CBADLP O=C(CC[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1)N1CCOCC1 ZINC000923461648 658291626 /nfs/dbraw/zinc/29/16/26/658291626.db2.gz FZRIEUXYHPQNCN-QWHCGFSZSA-N 2 2 267.373 -0.081 20 0 CBADLP COC(=O)[C@]12C[C@H]1CCC[N@@H+]2CCN1CC[NH2+]CC1 ZINC000923550970 658318811 /nfs/dbraw/zinc/31/88/11/658318811.db2.gz IKKFUKNKAORRGQ-OCCSQVGLSA-N 2 2 267.373 -0.081 20 0 CBADLP COC(=O)[C@]12C[C@H]1CCC[N@H+]2CCN1CC[NH2+]CC1 ZINC000923550970 658318817 /nfs/dbraw/zinc/31/88/17/658318817.db2.gz IKKFUKNKAORRGQ-OCCSQVGLSA-N 2 2 267.373 -0.081 20 0 CBADLP COC[C@@H]1CC[C@@H]([C@H]2COCC[N@@H+]2CCOCC[NH3+])O1 ZINC000923553862 658321850 /nfs/dbraw/zinc/32/18/50/658321850.db2.gz KMVBOZRRDBWTMR-MJBXVCDLSA-N 2 2 288.388 -0.144 20 0 CBADLP COC[C@@H]1CC[C@@H]([C@H]2COCC[N@H+]2CCOCC[NH3+])O1 ZINC000923553862 658321859 /nfs/dbraw/zinc/32/18/59/658321859.db2.gz KMVBOZRRDBWTMR-MJBXVCDLSA-N 2 2 288.388 -0.144 20 0 CBADLP CC[C@H]1CN(S(=O)(=O)C2C[NH2+]C2)CC[N@@H+]1CCOC ZINC000923611287 658351405 /nfs/dbraw/zinc/35/14/05/658351405.db2.gz CJULRPCZBZZPDO-NSHDSACASA-N 2 2 291.417 -0.669 20 0 CBADLP CC[C@H]1CN(S(=O)(=O)C2C[NH2+]C2)CC[N@H+]1CCOC ZINC000923611287 658351411 /nfs/dbraw/zinc/35/14/11/658351411.db2.gz CJULRPCZBZZPDO-NSHDSACASA-N 2 2 291.417 -0.669 20 0 CBADLP O=S(=O)(C1C[NH2+]C1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000923627349 658361436 /nfs/dbraw/zinc/36/14/36/658361436.db2.gz UNESEBONFQYIHT-UHFFFAOYSA-N 2 2 270.358 -0.109 20 0 CBADLP CN(CCCn1cc[nH+]c1)S(=O)(=O)N1CC[NH2+]CC1 ZINC000923630647 658364777 /nfs/dbraw/zinc/36/47/77/658364777.db2.gz JJSKTNNUSZGVQH-UHFFFAOYSA-N 2 2 287.389 -0.645 20 0 CBADLP CN(CCCn1cc[nH+]c1)S(=O)(=O)C1C[NH2+]C1 ZINC000923630900 658365169 /nfs/dbraw/zinc/36/51/69/658365169.db2.gz NMCPKNVEXFTYIK-UHFFFAOYSA-N 2 2 258.347 -0.493 20 0 CBADLP C[N@@H+]1C[C@H](O)C[C@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000924978632 658681409 /nfs/dbraw/zinc/68/14/09/658681409.db2.gz YKXQFRIOJGCRMT-QWHCGFSZSA-N 2 2 292.383 -0.057 20 0 CBADLP C[N@H+]1C[C@H](O)C[C@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000924978632 658681451 /nfs/dbraw/zinc/68/14/51/658681451.db2.gz YKXQFRIOJGCRMT-QWHCGFSZSA-N 2 2 292.383 -0.057 20 0 CBADLP COCC[NH+]1CCN(C(=O)NC[C@@H]2CC[N@@H+]2C)CC1 ZINC000925399566 658838248 /nfs/dbraw/zinc/83/82/48/658838248.db2.gz NXQKBMYQWSKSIJ-LBPRGKRZSA-N 2 2 270.377 -0.336 20 0 CBADLP COCC[NH+]1CCN(C(=O)NC[C@@H]2CC[N@H+]2C)CC1 ZINC000925399566 658838250 /nfs/dbraw/zinc/83/82/50/658838250.db2.gz NXQKBMYQWSKSIJ-LBPRGKRZSA-N 2 2 270.377 -0.336 20 0 CBADLP COCC[NH+]1CCN(C(=O)NC[C@H]2CC[N@@H+]2C)CC1 ZINC000925399565 658838606 /nfs/dbraw/zinc/83/86/06/658838606.db2.gz NXQKBMYQWSKSIJ-GFCCVEGCSA-N 2 2 270.377 -0.336 20 0 CBADLP COCC[NH+]1CCN(C(=O)NC[C@H]2CC[N@H+]2C)CC1 ZINC000925399565 658838607 /nfs/dbraw/zinc/83/86/07/658838607.db2.gz NXQKBMYQWSKSIJ-GFCCVEGCSA-N 2 2 270.377 -0.336 20 0 CBADLP CN(CCCN1CC[NH+](C)CC1)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000925414876 658842633 /nfs/dbraw/zinc/84/26/33/658842633.db2.gz PJKCOPMTWUDRAJ-AWEZNQCLSA-N 2 2 297.447 -0.031 20 0 CBADLP CN(CCCN1CC[NH+](C)CC1)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000925414876 658842635 /nfs/dbraw/zinc/84/26/35/658842635.db2.gz PJKCOPMTWUDRAJ-AWEZNQCLSA-N 2 2 297.447 -0.031 20 0 CBADLP CN(CCC[NH+]1CCN(C)CC1)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000925414876 658842640 /nfs/dbraw/zinc/84/26/40/658842640.db2.gz PJKCOPMTWUDRAJ-AWEZNQCLSA-N 2 2 297.447 -0.031 20 0 CBADLP CN(CCC[NH+]1CCN(C)CC1)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000925414876 658842644 /nfs/dbraw/zinc/84/26/44/658842644.db2.gz PJKCOPMTWUDRAJ-AWEZNQCLSA-N 2 2 297.447 -0.031 20 0 CBADLP C[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1[nH]cc[nH+]1 ZINC000962145948 658844999 /nfs/dbraw/zinc/84/49/99/658844999.db2.gz GPNZLMNTBOWFRQ-DNJQJEMRSA-N 2 2 264.329 -0.621 20 0 CBADLP C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1[nH]cc[nH+]1 ZINC000962145948 658845002 /nfs/dbraw/zinc/84/50/02/658845002.db2.gz GPNZLMNTBOWFRQ-DNJQJEMRSA-N 2 2 264.329 -0.621 20 0 CBADLP C[C@@H]1CN(C(=O)NC[C@@H]2CC[N@H+]2C)[C@@H](C)C[NH+]1CCO ZINC000925426266 658847358 /nfs/dbraw/zinc/84/73/58/658847358.db2.gz MHRRLFPNEGYCNQ-AGIUHOORSA-N 2 2 284.404 -0.213 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](C)O)C[C@H]21 ZINC000962407826 658852801 /nfs/dbraw/zinc/85/28/01/658852801.db2.gz QTCCOSTXBOBDQZ-GJTWSCIVSA-N 2 2 278.356 -0.312 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H](C)O)C[C@H]21 ZINC000962407826 658852804 /nfs/dbraw/zinc/85/28/04/658852804.db2.gz QTCCOSTXBOBDQZ-GJTWSCIVSA-N 2 2 278.356 -0.312 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC000962403476 658852829 /nfs/dbraw/zinc/85/28/29/658852829.db2.gz HIMDZFSBEPHUKW-IWIIMEHWSA-N 2 2 264.329 -0.701 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC000962403476 658852833 /nfs/dbraw/zinc/85/28/33/658852833.db2.gz HIMDZFSBEPHUKW-IWIIMEHWSA-N 2 2 264.329 -0.701 20 0 CBADLP CC(C)[C@H](CN[C@H]1C[NH2+]CCOC1)[NH+]1CCOCC1 ZINC000925518042 658858193 /nfs/dbraw/zinc/85/81/93/658858193.db2.gz NQTYZBYFTBJENF-KBPBESRZSA-N 2 2 271.405 -0.079 20 0 CBADLP CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925679403 658866106 /nfs/dbraw/zinc/86/61/06/658866106.db2.gz CCZXSZWLTJGUFT-NURVWSNCSA-N 2 2 287.429 -0.100 20 0 CBADLP NC(=O)C[C@@H]1C[N@@H+]([C@H]2C[C@@H]([NH3+])C23CCC3)CCO1 ZINC000925717896 658867232 /nfs/dbraw/zinc/86/72/32/658867232.db2.gz IMBGFCPDAIOZDV-MXWKQRLJSA-N 2 2 253.346 -0.168 20 0 CBADLP NC(=O)C[C@@H]1C[N@H+]([C@H]2C[C@@H]([NH3+])C23CCC3)CCO1 ZINC000925717896 658867236 /nfs/dbraw/zinc/86/72/36/658867236.db2.gz IMBGFCPDAIOZDV-MXWKQRLJSA-N 2 2 253.346 -0.168 20 0 CBADLP COC(=O)CCNC(=O)CC[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925719736 658867895 /nfs/dbraw/zinc/86/78/95/658867895.db2.gz VITXIWDWSXWUGA-SNVBAGLBSA-N 2 2 271.361 -0.214 20 0 CBADLP COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925724721 658867929 /nfs/dbraw/zinc/86/79/29/658867929.db2.gz CSCUBJXHFZAQNX-QMNVILFCSA-N 2 2 295.383 -0.361 20 0 CBADLP O=C1COC[C@]2(C[NH2+][C@H]3CC[NH2+]C34CCC4)COCCN12 ZINC000925728389 658868499 /nfs/dbraw/zinc/86/84/99/658868499.db2.gz UESRQCJAYUIRDS-JSGCOSHPSA-N 2 2 295.383 -0.512 20 0 CBADLP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@@]12COC(=O)N1CCOC2 ZINC000925731683 658868811 /nfs/dbraw/zinc/86/88/11/658868811.db2.gz CMPVOIYMZWBBPY-ZWNOBZJWSA-N 2 2 269.345 -0.062 20 0 CBADLP CN(C)S(=O)(=O)C1(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CC1 ZINC000925775257 658871263 /nfs/dbraw/zinc/87/12/63/658871263.db2.gz PFQXGPQZTMGVKN-JZRPKSSGSA-N 2 2 299.440 -0.004 20 0 CBADLP Cn1nccc1[C@H](O)C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000925890379 658875510 /nfs/dbraw/zinc/87/55/10/658875510.db2.gz OSWXFPTXIWFLDV-HZSPNIEDSA-N 2 2 280.372 -0.190 20 0 CBADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@H](O)c1ccnn1C ZINC000925888651 658875542 /nfs/dbraw/zinc/87/55/42/658875542.db2.gz DXAIQVXWUXTXAU-MDZLAQPJSA-N 2 2 268.361 -0.190 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC1CC2(C1)CC([NH2+]CCO)C2 ZINC000965591381 658881473 /nfs/dbraw/zinc/88/14/73/658881473.db2.gz XNZZNXBEYIWNMC-UHFFFAOYSA-N 2 2 278.356 -0.039 20 0 CBADLP C[C@H]1CN(C(=O)C(=O)N2CC[NH+](C)CC2)CC[C@H]1C[NH3+] ZINC000926417072 658899259 /nfs/dbraw/zinc/89/92/59/658899259.db2.gz WJFJKIFVIBNTQM-RYUDHWBXSA-N 2 2 282.388 -0.796 20 0 CBADLP C[C@H]1CC[N@H+](CC(N)=O)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000968548991 658931241 /nfs/dbraw/zinc/93/12/41/658931241.db2.gz LFCHNKLIDCCGKG-NWDGAFQWSA-N 2 2 294.399 -0.606 20 0 CBADLP C[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000968548991 658931243 /nfs/dbraw/zinc/93/12/43/658931243.db2.gz LFCHNKLIDCCGKG-NWDGAFQWSA-N 2 2 294.399 -0.606 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@H]1C[N@@H+](CC(N)=O)CC[C@@H]1C ZINC000968655249 658937907 /nfs/dbraw/zinc/93/79/07/658937907.db2.gz NGRCPYAHWSDIES-JQWIXIFHSA-N 2 2 293.371 -0.497 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@H]1C[N@H+](CC(N)=O)CC[C@@H]1C ZINC000968655249 658937914 /nfs/dbraw/zinc/93/79/14/658937914.db2.gz NGRCPYAHWSDIES-JQWIXIFHSA-N 2 2 293.371 -0.497 20 0 CBADLP O=C(Cc1cn2c([nH+]1)CCCC2)N1CC[C@@H]([NH2+]CCO)C1 ZINC000968748660 658941152 /nfs/dbraw/zinc/94/11/52/658941152.db2.gz JJGBHZDFLDTZKT-GFCCVEGCSA-N 2 2 292.383 -0.055 20 0 CBADLP C[C@@]1([NH3+])CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000927776353 658947630 /nfs/dbraw/zinc/94/76/30/658947630.db2.gz OXERSSKMNBKSSF-VNHYZAJKSA-N 2 2 297.399 -0.184 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]([NH2+]Cc2cnon2)C1 ZINC000969356954 658978490 /nfs/dbraw/zinc/97/84/90/658978490.db2.gz WGUZINRCYNOZTP-LLVKDONJSA-N 2 2 290.327 -0.035 20 0 CBADLP C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1C[NH+](CC(N)=O)C1 ZINC000969409771 658987735 /nfs/dbraw/zinc/98/77/35/658987735.db2.gz GMTZESACJSJVIX-MWLCHTKSSA-N 2 2 268.361 -0.998 20 0 CBADLP C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C1C[NH+](CC(N)=O)C1 ZINC000969409771 658987746 /nfs/dbraw/zinc/98/77/46/658987746.db2.gz GMTZESACJSJVIX-MWLCHTKSSA-N 2 2 268.361 -0.998 20 0 CBADLP C[C@H]([NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1)C(N)=O ZINC000969518698 659000745 /nfs/dbraw/zinc/00/07/45/659000745.db2.gz QIUJDSLDGGKQBL-WDEREUQCSA-N 2 2 279.344 -0.663 20 0 CBADLP O=C(CCn1cc[nH+]c1)N1CC[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC000969518737 659001070 /nfs/dbraw/zinc/00/10/70/659001070.db2.gz SQWWLFYKNVWIGV-VXGBXAGGSA-N 2 2 291.355 -0.648 20 0 CBADLP C[C@H](CC(=O)N1CC[C@@H]([NH2+]CC(N)=O)C1)n1cc[nH+]c1 ZINC000970128147 659037424 /nfs/dbraw/zinc/03/74/24/659037424.db2.gz BZKVFKRJGYLFGC-GHMZBOCLSA-N 2 2 279.344 -0.490 20 0 CBADLP C[C@@H](NC(=O)C1CC[NH+](C)CC1)C1C[NH+](CC(N)=O)C1 ZINC000970368514 659052490 /nfs/dbraw/zinc/05/24/90/659052490.db2.gz YJKRDWVIEHOIMK-SNVBAGLBSA-N 2 2 282.388 -0.750 20 0 CBADLP C[C@@H]([NH2+][C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1)C(N)=O ZINC000970485704 659057253 /nfs/dbraw/zinc/05/72/53/659057253.db2.gz YAGRTPPXORPDFX-NXEZZACHSA-N 2 2 293.371 -0.248 20 0 CBADLP C[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC000970610223 659063386 /nfs/dbraw/zinc/06/33/86/659063386.db2.gz VXQKNIYMIZAVGL-VXGBXAGGSA-N 2 2 280.372 -0.076 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@@H]([NH2+]CCO)C1 ZINC000970609229 659064137 /nfs/dbraw/zinc/06/41/37/659064137.db2.gz FZENNCBBXAAXIC-LLVKDONJSA-N 2 2 266.345 -0.465 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC000970856561 659072887 /nfs/dbraw/zinc/07/28/87/659072887.db2.gz NGRXREQCZILWGV-NEPJUHHUSA-N 2 2 291.355 -0.648 20 0 CBADLP C[C@H](O)C[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000970855941 659072913 /nfs/dbraw/zinc/07/29/13/659072913.db2.gz BAZHVLZANHDDIX-WDEREUQCSA-N 2 2 252.318 -0.546 20 0 CBADLP C[C@H](C(N)=O)[N@H+](C)[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000972039559 659103207 /nfs/dbraw/zinc/10/32/07/659103207.db2.gz IYOOVHYXUANFGW-VXGBXAGGSA-N 2 2 293.371 -0.320 20 0 CBADLP C[C@H](C(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000972039559 659103214 /nfs/dbraw/zinc/10/32/14/659103214.db2.gz IYOOVHYXUANFGW-VXGBXAGGSA-N 2 2 293.371 -0.320 20 0 CBADLP C[C@@H](C(N)=O)[N@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000972427480 659118135 /nfs/dbraw/zinc/11/81/35/659118135.db2.gz YCHSMBYGGFNZOS-GXSJLCMTSA-N 2 2 279.344 -0.641 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000972427480 659118137 /nfs/dbraw/zinc/11/81/37/659118137.db2.gz YCHSMBYGGFNZOS-GXSJLCMTSA-N 2 2 279.344 -0.641 20 0 CBADLP C[C@@H](O)C[N@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000972723493 659126231 /nfs/dbraw/zinc/12/62/31/659126231.db2.gz KYSZONFZMFHPAJ-NEPJUHHUSA-N 2 2 280.372 -0.124 20 0 CBADLP C[C@@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000972723493 659126237 /nfs/dbraw/zinc/12/62/37/659126237.db2.gz KYSZONFZMFHPAJ-NEPJUHHUSA-N 2 2 280.372 -0.124 20 0 CBADLP COc1cc[nH+]c(N2CC[NH+](C[C@H](O)CO)CC2)c1 ZINC000929526092 659136433 /nfs/dbraw/zinc/13/64/33/659136433.db2.gz JLRJRQBSQCWOGS-NSHDSACASA-N 2 2 267.329 -0.435 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CC(N)=O)CC1(C)C ZINC000977593173 659199375 /nfs/dbraw/zinc/19/93/75/659199375.db2.gz FYEGFDCLDFCPDH-LLVKDONJSA-N 2 2 293.371 -0.497 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CC(N)=O)CC1(C)C ZINC000977593173 659199380 /nfs/dbraw/zinc/19/93/80/659199380.db2.gz FYEGFDCLDFCPDH-LLVKDONJSA-N 2 2 293.371 -0.497 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1C[C@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000977596265 659199442 /nfs/dbraw/zinc/19/94/42/659199442.db2.gz RRBLSODNXYZWSB-NEPJUHHUSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1C[C@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000977596265 659199446 /nfs/dbraw/zinc/19/94/46/659199446.db2.gz RRBLSODNXYZWSB-NEPJUHHUSA-N 2 2 296.415 -0.217 20 0 CBADLP OC[C@@H](O)C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000930316241 659253923 /nfs/dbraw/zinc/25/39/23/659253923.db2.gz NDRXKRAODRZBBP-STQMWFEESA-N 2 2 258.362 -0.474 20 0 CBADLP OC[C@@H](O)C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000930316241 659253941 /nfs/dbraw/zinc/25/39/41/659253941.db2.gz NDRXKRAODRZBBP-STQMWFEESA-N 2 2 258.362 -0.474 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]([N@H+](C)CC(N)=O)C1 ZINC000980407815 659271414 /nfs/dbraw/zinc/27/14/14/659271414.db2.gz DVZRUNIVXWFHHU-LLVKDONJSA-N 2 2 279.344 -0.790 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]([N@@H+](C)CC(N)=O)C1 ZINC000980407815 659271428 /nfs/dbraw/zinc/27/14/28/659271428.db2.gz DVZRUNIVXWFHHU-LLVKDONJSA-N 2 2 279.344 -0.790 20 0 CBADLP C[C@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000980538169 659273479 /nfs/dbraw/zinc/27/34/79/659273479.db2.gz AYAWBCPSRCHWDS-NWDGAFQWSA-N 2 2 266.345 -0.203 20 0 CBADLP C[C@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000980538169 659273483 /nfs/dbraw/zinc/27/34/83/659273483.db2.gz AYAWBCPSRCHWDS-NWDGAFQWSA-N 2 2 266.345 -0.203 20 0 CBADLP C[C@H](C(N)=O)[N@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000980538436 659274472 /nfs/dbraw/zinc/27/44/72/659274472.db2.gz GRUFDCQYIUNWQX-MNOVXSKESA-N 2 2 279.344 -0.710 20 0 CBADLP C[C@H](C(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000980538436 659274476 /nfs/dbraw/zinc/27/44/76/659274476.db2.gz GRUFDCQYIUNWQX-MNOVXSKESA-N 2 2 279.344 -0.710 20 0 CBADLP C[C@H](O)C[N@H+]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000980893888 659298918 /nfs/dbraw/zinc/29/89/18/659298918.db2.gz QNEAFWXMAVGKTM-QWHCGFSZSA-N 2 2 285.388 -0.768 20 0 CBADLP C[C@H](O)C[NH+]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000980893888 659298926 /nfs/dbraw/zinc/29/89/26/659298926.db2.gz QNEAFWXMAVGKTM-QWHCGFSZSA-N 2 2 285.388 -0.768 20 0 CBADLP C[C@H](O)C[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000980893888 659298932 /nfs/dbraw/zinc/29/89/32/659298932.db2.gz QNEAFWXMAVGKTM-QWHCGFSZSA-N 2 2 285.388 -0.768 20 0 CBADLP CC(C)[NH2+]C1(CO)CC[NH+](C[C@@H](O)[C@@H](C)O)CC1 ZINC000930613317 659311094 /nfs/dbraw/zinc/31/10/94/659311094.db2.gz GJGCSJJNNZBNMU-VXGBXAGGSA-N 2 2 260.378 -0.447 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CCCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC000981324577 659316128 /nfs/dbraw/zinc/31/61/28/659316128.db2.gz NPAQGPWMLRMNOC-GFCCVEGCSA-N 2 2 296.415 -0.121 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CCCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC000981324577 659316132 /nfs/dbraw/zinc/31/61/32/659316132.db2.gz NPAQGPWMLRMNOC-GFCCVEGCSA-N 2 2 296.415 -0.121 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CCC[C@H]([NH2+]CCO)C1 ZINC000981415513 659317021 /nfs/dbraw/zinc/31/70/21/659317021.db2.gz AQCNPDCKKOTQJA-WDEREUQCSA-N 2 2 266.345 -0.039 20 0 CBADLP C[C@H](O)[C@H](O)C[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000930672577 659319193 /nfs/dbraw/zinc/31/91/93/659319193.db2.gz BMFMVRUJLSBFFK-WCQYABFASA-N 2 2 272.389 -0.445 20 0 CBADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1CCC[N@@H+](CCO)CC1 ZINC000981484729 659319831 /nfs/dbraw/zinc/31/98/31/659319831.db2.gz ZZBGLKJGJOAYDJ-ZDUSSCGKSA-N 2 2 292.383 -0.028 20 0 CBADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1CCC[N@H+](CCO)CC1 ZINC000981484729 659319839 /nfs/dbraw/zinc/31/98/39/659319839.db2.gz ZZBGLKJGJOAYDJ-ZDUSSCGKSA-N 2 2 292.383 -0.028 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CCCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000981868531 659334090 /nfs/dbraw/zinc/33/40/90/659334090.db2.gz ZERBCUORGUGSFT-GFCCVEGCSA-N 2 2 296.415 -0.264 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CCCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000981868531 659334093 /nfs/dbraw/zinc/33/40/93/659334093.db2.gz ZERBCUORGUGSFT-GFCCVEGCSA-N 2 2 296.415 -0.264 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CCCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC000981957137 659337139 /nfs/dbraw/zinc/33/71/39/659337139.db2.gz DTLPELRWGDFHCZ-CHWSQXEVSA-N 2 2 296.415 -0.264 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CCCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC000981957137 659337148 /nfs/dbraw/zinc/33/71/48/659337148.db2.gz DTLPELRWGDFHCZ-CHWSQXEVSA-N 2 2 296.415 -0.264 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000981957137 659337154 /nfs/dbraw/zinc/33/71/54/659337154.db2.gz DTLPELRWGDFHCZ-CHWSQXEVSA-N 2 2 296.415 -0.264 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC000981957137 659337159 /nfs/dbraw/zinc/33/71/59/659337159.db2.gz DTLPELRWGDFHCZ-CHWSQXEVSA-N 2 2 296.415 -0.264 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC000985171224 659373131 /nfs/dbraw/zinc/37/31/31/659373131.db2.gz MGEPDLXGLPDQIW-IJLUTSLNSA-N 2 2 291.355 -0.744 20 0 CBADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@@H](O)C[C@]3(O)CCOC3)C[C@H]21 ZINC000931277237 659423725 /nfs/dbraw/zinc/42/37/25/659423725.db2.gz MOKOCIFDCASBRK-ODXJTPSBSA-N 2 2 270.373 -0.619 20 0 CBADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[C@@H](O)C[C@]3(O)CCOC3)C[C@H]21 ZINC000931277237 659423739 /nfs/dbraw/zinc/42/37/39/659423739.db2.gz MOKOCIFDCASBRK-ODXJTPSBSA-N 2 2 270.373 -0.619 20 0 CBADLP COC(=O)CCN1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)C1=O ZINC000931281844 659424095 /nfs/dbraw/zinc/42/40/95/659424095.db2.gz XVEFNUPALNEOIU-KZVDOYCCSA-N 2 2 295.383 -0.358 20 0 CBADLP COC(=O)CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)C1=O ZINC000931281844 659424113 /nfs/dbraw/zinc/42/41/13/659424113.db2.gz XVEFNUPALNEOIU-KZVDOYCCSA-N 2 2 295.383 -0.358 20 0 CBADLP C[C@@H]1[C@@H]([NH2+]CCO)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000986211651 659430313 /nfs/dbraw/zinc/43/03/13/659430313.db2.gz JBRVBOJDBAWTMN-MNOVXSKESA-N 2 2 266.345 -0.086 20 0 CBADLP C[C@@H]1[C@@H]([NH2+]CCO)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000986343696 659445789 /nfs/dbraw/zinc/44/57/89/659445789.db2.gz MBPJLPDONDVSSA-PWSUYJOCSA-N 2 2 266.345 -0.086 20 0 CBADLP C[C@@H]1[C@@H]([NH2+]CCO)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000986343696 659445810 /nfs/dbraw/zinc/44/58/10/659445810.db2.gz MBPJLPDONDVSSA-PWSUYJOCSA-N 2 2 266.345 -0.086 20 0 CBADLP C[C@@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000987260640 659500153 /nfs/dbraw/zinc/50/01/53/659500153.db2.gz NRDDYYYCUAEXPI-BDAKNGLRSA-N 2 2 265.317 -0.984 20 0 CBADLP COC1(OC)CC[N@H+](C[C@H](O)C[NH+]2CCCC2)C[C@H]1O ZINC000931640795 659500276 /nfs/dbraw/zinc/50/02/76/659500276.db2.gz KGNRJALNCGJQSA-CHWSQXEVSA-N 2 2 288.388 -0.501 20 0 CBADLP COC1(OC)CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C[C@H]1O ZINC000931640795 659500282 /nfs/dbraw/zinc/50/02/82/659500282.db2.gz KGNRJALNCGJQSA-CHWSQXEVSA-N 2 2 288.388 -0.501 20 0 CBADLP C[C@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)Cc1c[nH+]cn1C ZINC000987346772 659502285 /nfs/dbraw/zinc/50/22/85/659502285.db2.gz BUDCFKFRFOCCRA-ONGXEEELSA-N 2 2 279.344 -0.973 20 0 CBADLP C[C@@H]1[C@@H]([NH2+]CCO)CCN1C(=O)Cc1c[nH+]cn1C ZINC000987348256 659502989 /nfs/dbraw/zinc/50/29/89/659502989.db2.gz LOPMNNLHZLZNOR-PWSUYJOCSA-N 2 2 266.345 -0.466 20 0 CBADLP C[C@@H]1[C@H]([NH2+]CCO)CCN1C(=O)Cn1cc[nH+]c1 ZINC000987610716 659512841 /nfs/dbraw/zinc/51/28/41/659512841.db2.gz PVOGFEWGBZQZQF-GHMZBOCLSA-N 2 2 252.318 -0.546 20 0 CBADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@H]2CC[NH+]2C)C[C@H]1C ZINC000931883360 659549383 /nfs/dbraw/zinc/54/93/83/659549383.db2.gz SHNSJTWLLKCFHC-FRRDWIJNSA-N 2 2 296.415 -0.252 20 0 CBADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@H]2CC[NH+]2C)C[C@H]1C ZINC000931883360 659549386 /nfs/dbraw/zinc/54/93/86/659549386.db2.gz SHNSJTWLLKCFHC-FRRDWIJNSA-N 2 2 296.415 -0.252 20 0 CBADLP CC[NH+]1C[C@H](C)N(C(=O)C(=O)NC[C@H]2CC[N@@H+]2C)C[C@H]1C ZINC000931883360 659549389 /nfs/dbraw/zinc/54/93/89/659549389.db2.gz SHNSJTWLLKCFHC-FRRDWIJNSA-N 2 2 296.415 -0.252 20 0 CBADLP CC[NH+]1C[C@H](C)N(C(=O)C(=O)NC[C@H]2CC[N@H+]2C)C[C@H]1C ZINC000931883360 659549399 /nfs/dbraw/zinc/54/93/99/659549399.db2.gz SHNSJTWLLKCFHC-FRRDWIJNSA-N 2 2 296.415 -0.252 20 0 CBADLP C[C@H]1C[C@H]([NH2+]CCO)CN1C(=O)CCc1[nH]cc[nH+]1 ZINC000988741907 659554548 /nfs/dbraw/zinc/55/45/48/659554548.db2.gz FUHHUKPCJQUONV-QWRGUYRKSA-N 2 2 266.345 -0.086 20 0 CBADLP CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)NC[C@@H]1CC[NH+]1C ZINC000931888259 659556530 /nfs/dbraw/zinc/55/65/30/659556530.db2.gz FCEVZAPWYYVCNK-QWRGUYRKSA-N 2 2 268.361 -0.983 20 0 CBADLP CC[N@H+]1CC[C@H]1CNC(=O)C(=O)NC[C@@H]1CC[NH+]1C ZINC000931888259 659556532 /nfs/dbraw/zinc/55/65/32/659556532.db2.gz FCEVZAPWYYVCNK-QWRGUYRKSA-N 2 2 268.361 -0.983 20 0 CBADLP CC[NH+]1CC[C@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000931888259 659556534 /nfs/dbraw/zinc/55/65/34/659556534.db2.gz FCEVZAPWYYVCNK-QWRGUYRKSA-N 2 2 268.361 -0.983 20 0 CBADLP CC[NH+]1CC[C@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000931888259 659556536 /nfs/dbraw/zinc/55/65/36/659556536.db2.gz FCEVZAPWYYVCNK-QWRGUYRKSA-N 2 2 268.361 -0.983 20 0 CBADLP C[C@H]1C[C@H]([NH2+]CCO)CN1C(=O)CCn1cc[nH+]c1 ZINC000989267284 659577523 /nfs/dbraw/zinc/57/75/23/659577523.db2.gz SPDUGZYEYROOHW-RYUDHWBXSA-N 2 2 266.345 -0.156 20 0 CBADLP Cn1nnc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)n1 ZINC000932251241 659586731 /nfs/dbraw/zinc/58/67/31/659586731.db2.gz AXLHMEFULABUPF-UHFFFAOYSA-N 2 2 284.368 -0.785 20 0 CBADLP Cn1nnc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)n1 ZINC000932251241 659586738 /nfs/dbraw/zinc/58/67/38/659586738.db2.gz AXLHMEFULABUPF-UHFFFAOYSA-N 2 2 284.368 -0.785 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC000989660776 659606846 /nfs/dbraw/zinc/60/68/46/659606846.db2.gz BHYQBSCJPFTZOY-RYUDHWBXSA-N 2 2 282.388 -0.654 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC000989660776 659606851 /nfs/dbraw/zinc/60/68/51/659606851.db2.gz BHYQBSCJPFTZOY-RYUDHWBXSA-N 2 2 282.388 -0.654 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000989660776 659606856 /nfs/dbraw/zinc/60/68/56/659606856.db2.gz BHYQBSCJPFTZOY-RYUDHWBXSA-N 2 2 282.388 -0.654 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000989660776 659606861 /nfs/dbraw/zinc/60/68/61/659606861.db2.gz BHYQBSCJPFTZOY-RYUDHWBXSA-N 2 2 282.388 -0.654 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N1CCC[N@@H+]([C@@H](C)C(N)=O)CC1 ZINC000989673606 659606937 /nfs/dbraw/zinc/60/69/37/659606937.db2.gz UCIBXZLFTARGRS-NSHDSACASA-N 2 2 293.371 -0.400 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N1CCC[N@H+]([C@@H](C)C(N)=O)CC1 ZINC000989673606 659606941 /nfs/dbraw/zinc/60/69/41/659606941.db2.gz UCIBXZLFTARGRS-NSHDSACASA-N 2 2 293.371 -0.400 20 0 CBADLP C[C@H]1C[C@@H]([NH2+]CC(N)=O)CN1C(=O)Cc1c[nH+]cn1C ZINC000989678072 659608804 /nfs/dbraw/zinc/60/88/04/659608804.db2.gz CLFJTGKNZNNHJV-VHSXEESVSA-N 2 2 279.344 -0.973 20 0 CBADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](CS(N)(=O)=O)C1 ZINC000932949967 659646648 /nfs/dbraw/zinc/64/66/48/659646648.db2.gz XRSOPUUUIVJKLC-NEPJUHHUSA-N 2 2 293.433 -0.702 20 0 CBADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](CS(N)(=O)=O)C1 ZINC000932949967 659646657 /nfs/dbraw/zinc/64/66/57/659646657.db2.gz XRSOPUUUIVJKLC-NEPJUHHUSA-N 2 2 293.433 -0.702 20 0 CBADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](CS(N)(=O)=O)C1 ZINC000932949967 659646671 /nfs/dbraw/zinc/64/66/71/659646671.db2.gz XRSOPUUUIVJKLC-NEPJUHHUSA-N 2 2 293.433 -0.702 20 0 CBADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](CS(N)(=O)=O)C1 ZINC000932949967 659646679 /nfs/dbraw/zinc/64/66/79/659646679.db2.gz XRSOPUUUIVJKLC-NEPJUHHUSA-N 2 2 293.433 -0.702 20 0 CBADLP C[N@@H+]1C[C@@H]2C[NH+](CCN3C(=O)CNC3=O)C[C@]2(C)C1 ZINC000933739700 659734894 /nfs/dbraw/zinc/73/48/94/659734894.db2.gz BQKFYRGNBGGTCC-MFKMUULPSA-N 2 2 266.345 -0.578 20 0 CBADLP C[N@H+]1C[C@@H]2C[NH+](CCN3C(=O)CNC3=O)C[C@]2(C)C1 ZINC000933739700 659734900 /nfs/dbraw/zinc/73/49/00/659734900.db2.gz BQKFYRGNBGGTCC-MFKMUULPSA-N 2 2 266.345 -0.578 20 0 CBADLP C[NH+]1C[C@@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@]2(C)C1 ZINC000933739700 659734904 /nfs/dbraw/zinc/73/49/04/659734904.db2.gz BQKFYRGNBGGTCC-MFKMUULPSA-N 2 2 266.345 -0.578 20 0 CBADLP C[NH+]1C[C@@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@]2(C)C1 ZINC000933739700 659734910 /nfs/dbraw/zinc/73/49/10/659734910.db2.gz BQKFYRGNBGGTCC-MFKMUULPSA-N 2 2 266.345 -0.578 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCO[C@@H]3COCC[C@@H]32)CC1 ZINC000933966208 659752944 /nfs/dbraw/zinc/75/29/44/659752944.db2.gz KRVLIZOBWZABIE-UONOGXRCSA-N 2 2 297.399 -0.360 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCO[C@@H]3COCC[C@@H]32)CC1 ZINC000933966208 659752949 /nfs/dbraw/zinc/75/29/49/659752949.db2.gz KRVLIZOBWZABIE-UONOGXRCSA-N 2 2 297.399 -0.360 20 0 CBADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@H]2CO)C1 ZINC000934030019 659762484 /nfs/dbraw/zinc/76/24/84/659762484.db2.gz KUDJTTDQWSNAPY-KBPBESRZSA-N 2 2 299.415 -0.474 20 0 CBADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@H]2CO)C1 ZINC000934030019 659762494 /nfs/dbraw/zinc/76/24/94/659762494.db2.gz KUDJTTDQWSNAPY-KBPBESRZSA-N 2 2 299.415 -0.474 20 0 CBADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CC[C@H]2CO)C1 ZINC000934030019 659762501 /nfs/dbraw/zinc/76/25/01/659762501.db2.gz KUDJTTDQWSNAPY-KBPBESRZSA-N 2 2 299.415 -0.474 20 0 CBADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CC[C@H]2CO)C1 ZINC000934030019 659762516 /nfs/dbraw/zinc/76/25/16/659762516.db2.gz KUDJTTDQWSNAPY-KBPBESRZSA-N 2 2 299.415 -0.474 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@@H]2COCC[C@H]2OC)CC1 ZINC000934044884 659765168 /nfs/dbraw/zinc/76/51/68/659765168.db2.gz YYCUVTWAIXQOPA-MGPQQGTHSA-N 2 2 299.415 -0.068 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@H](O)[C@@H](F)C2)CC1 ZINC000934576113 659806169 /nfs/dbraw/zinc/80/61/69/659806169.db2.gz ZXYYUUZQMXBUCM-RYUDHWBXSA-N 2 2 273.352 -0.445 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@H](O)[C@@H](F)C2)CC1 ZINC000934576113 659806170 /nfs/dbraw/zinc/80/61/70/659806170.db2.gz ZXYYUUZQMXBUCM-RYUDHWBXSA-N 2 2 273.352 -0.445 20 0 CBADLP C[N@@H+]1CC[C@H](C(=O)NC2CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC000991721678 659842926 /nfs/dbraw/zinc/84/29/26/659842926.db2.gz NXEWJTOTPIKMAZ-JTQLQIEISA-N 2 2 291.355 -0.769 20 0 CBADLP C[N@H+]1CC[C@H](C(=O)NC2CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC000991721678 659842927 /nfs/dbraw/zinc/84/29/27/659842927.db2.gz NXEWJTOTPIKMAZ-JTQLQIEISA-N 2 2 291.355 -0.769 20 0 CBADLP C[C@@H]1[C@H](NC(=O)Cc2c[nH+]cn2C)CCC[N@@H+]1CCO ZINC000994226841 659880412 /nfs/dbraw/zinc/88/04/12/659880412.db2.gz GSNNBDCNUIGSIZ-DGCLKSJQSA-N 2 2 280.372 -0.076 20 0 CBADLP C[C@@H]1[C@H](NC(=O)Cc2c[nH+]cn2C)CCC[N@H+]1CCO ZINC000994226841 659880414 /nfs/dbraw/zinc/88/04/14/659880414.db2.gz GSNNBDCNUIGSIZ-DGCLKSJQSA-N 2 2 280.372 -0.076 20 0 CBADLP C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1[NH2+]CCO ZINC000939643007 659891496 /nfs/dbraw/zinc/89/14/96/659891496.db2.gz OVHYRDHLHAJKBK-DGCLKSJQSA-N 2 2 280.372 -0.219 20 0 CBADLP CC1(C)C[N@H+](CC(N)=O)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000941252589 659908138 /nfs/dbraw/zinc/90/81/38/659908138.db2.gz DGNOOLIGKXSWJO-NSHDSACASA-N 2 2 293.371 -0.415 20 0 CBADLP CC1(C)C[N@@H+](CC(N)=O)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000941252589 659908146 /nfs/dbraw/zinc/90/81/46/659908146.db2.gz DGNOOLIGKXSWJO-NSHDSACASA-N 2 2 293.371 -0.415 20 0 CBADLP C[C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC[N@@H+]1CCO ZINC000947761590 659961211 /nfs/dbraw/zinc/96/12/11/659961211.db2.gz NBAIGAFPROLCPB-WDEREUQCSA-N 2 2 266.345 -0.086 20 0 CBADLP C[C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC[N@H+]1CCO ZINC000947761590 659961214 /nfs/dbraw/zinc/96/12/14/659961214.db2.gz NBAIGAFPROLCPB-WDEREUQCSA-N 2 2 266.345 -0.086 20 0 CBADLP C[C@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[N@@H+]1CCO ZINC000947929173 659962992 /nfs/dbraw/zinc/96/29/92/659962992.db2.gz JIUPZHCOMZZMRK-RYUDHWBXSA-N 2 2 280.372 -0.076 20 0 CBADLP C[C@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[N@H+]1CCO ZINC000947929173 659962999 /nfs/dbraw/zinc/96/29/99/659962999.db2.gz JIUPZHCOMZZMRK-RYUDHWBXSA-N 2 2 280.372 -0.076 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](CC(N)=O)[C@@H](C)C1 ZINC000948052197 659964109 /nfs/dbraw/zinc/96/41/09/659964109.db2.gz BWXRTARCFUSZTO-JQWIXIFHSA-N 2 2 293.371 -0.354 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](CC(N)=O)[C@@H](C)C1 ZINC000948052197 659964111 /nfs/dbraw/zinc/96/41/11/659964111.db2.gz BWXRTARCFUSZTO-JQWIXIFHSA-N 2 2 293.371 -0.354 20 0 CBADLP C[C@@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)CC[N@@H+]1CCO ZINC000948090248 659965741 /nfs/dbraw/zinc/96/57/41/659965741.db2.gz HNDBSDZIFQDBRW-VXGBXAGGSA-N 2 2 266.345 -0.156 20 0 CBADLP C[C@@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)CC[N@H+]1CCO ZINC000948090248 659965743 /nfs/dbraw/zinc/96/57/43/659965743.db2.gz HNDBSDZIFQDBRW-VXGBXAGGSA-N 2 2 266.345 -0.156 20 0 CBADLP C[C@H](O)C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC000950490836 659992987 /nfs/dbraw/zinc/99/29/87/659992987.db2.gz DXYABNOISXZOAM-STQMWFEESA-N 2 2 269.389 -0.004 20 0 CBADLP C[C@H](O)C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC000950490836 659992988 /nfs/dbraw/zinc/99/29/88/659992988.db2.gz DXYABNOISXZOAM-STQMWFEESA-N 2 2 269.389 -0.004 20 0 CBADLP O=C1COc2cc[nH+]c(N3CCN4CC[NH2+]C[C@@H]4C3)c2N1 ZINC001164398606 718834628 /nfs/dbraw/zinc/83/46/28/718834628.db2.gz HNAXQHFJWIBSTH-SNVBAGLBSA-N 2 2 289.339 -0.494 20 0 CBADLP CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001076573717 805580875 /nfs/dbraw/zinc/58/08/75/805580875.db2.gz XFVBFNIYBQLURY-QWHCGFSZSA-N 2 2 294.399 -0.639 20 0 CBADLP CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001076573717 805580880 /nfs/dbraw/zinc/58/08/80/805580880.db2.gz XFVBFNIYBQLURY-QWHCGFSZSA-N 2 2 294.399 -0.639 20 0 CBADLP COCCCNC(=O)[C@H](C)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000313990530 790477978 /nfs/dbraw/zinc/47/79/78/790477978.db2.gz RLALGLBOELNHMY-UONOGXRCSA-N 2 2 298.431 -0.493 20 0 CBADLP COC1(C(=O)NCCc2[nH]cc[nH+]2)CC[NH2+]CC1 ZINC000311006306 790476867 /nfs/dbraw/zinc/47/68/67/790476867.db2.gz PVSSWDPLXCVJSO-UHFFFAOYSA-N 2 2 252.318 -0.163 20 0 CBADLP COCCCNC(=O)[C@@H](C)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000313990529 790479408 /nfs/dbraw/zinc/47/94/08/790479408.db2.gz RLALGLBOELNHMY-KGLIPLIRSA-N 2 2 298.431 -0.493 20 0 CBADLP CN(CCC[NH3+])Cc1cn(CC[NH+]2CCN(C)CC2)nn1 ZINC000328100252 790486489 /nfs/dbraw/zinc/48/64/89/790486489.db2.gz KVWHLPGCVXJLGA-UHFFFAOYSA-N 2 2 295.435 -0.694 20 0 CBADLP C[NH+]1CCC(N2C(=O)N[C@@H](Cc3c[nH]c[nH+]3)C2=O)CC1 ZINC000348431860 790493025 /nfs/dbraw/zinc/49/30/25/790493025.db2.gz RFWLLEQVDFKQPM-NSHDSACASA-N 2 2 277.328 -0.033 20 0 CBADLP C[NH+]1CCC(N2C(=O)N[C@@H](Cc3c[nH+]c[nH]3)C2=O)CC1 ZINC000348431860 790493031 /nfs/dbraw/zinc/49/30/31/790493031.db2.gz RFWLLEQVDFKQPM-NSHDSACASA-N 2 2 277.328 -0.033 20 0 CBADLP C[NH+]1CC(C[NH2+]C2CCN(S(C)(=O)=O)CC2)C1 ZINC000379477053 790510105 /nfs/dbraw/zinc/51/01/05/790510105.db2.gz XFDRMOBWYBORHR-UHFFFAOYSA-N 2 2 261.391 -0.438 20 0 CBADLP C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]([NH3+])CC(F)F)C1 ZINC000383441811 790528631 /nfs/dbraw/zinc/52/86/31/790528631.db2.gz GWZFTVMPNOKGOS-YUMQZZPRSA-N 2 2 251.277 -0.584 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](CC[NH3+])C1 ZINC000385236890 790540581 /nfs/dbraw/zinc/54/05/81/790540581.db2.gz JXPIOLKNQUQFJD-OLZOCXBDSA-N 3 2 259.394 -0.404 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](CC[NH3+])C1 ZINC000385236890 790540587 /nfs/dbraw/zinc/54/05/87/790540587.db2.gz JXPIOLKNQUQFJD-OLZOCXBDSA-N 3 2 259.394 -0.404 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000385236890 790540598 /nfs/dbraw/zinc/54/05/98/790540598.db2.gz JXPIOLKNQUQFJD-OLZOCXBDSA-N 3 2 259.394 -0.404 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000385236890 790540605 /nfs/dbraw/zinc/54/06/05/790540605.db2.gz JXPIOLKNQUQFJD-OLZOCXBDSA-N 3 2 259.394 -0.404 20 0 CBADLP Cc1nc(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)nc(N)[nH+]1 ZINC000388907012 790560896 /nfs/dbraw/zinc/56/08/96/790560896.db2.gz NTUGTSMQCWLTAD-ZJUUUORDSA-N 2 2 264.333 -0.710 20 0 CBADLP Cc1nc(NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)nc(N)[nH+]1 ZINC000388907012 790560902 /nfs/dbraw/zinc/56/09/02/790560902.db2.gz NTUGTSMQCWLTAD-ZJUUUORDSA-N 2 2 264.333 -0.710 20 0 CBADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](O)[C@H](CO)C1 ZINC000396898917 790590416 /nfs/dbraw/zinc/59/04/16/790590416.db2.gz VLMXIFKFDXWZLS-AVGNSLFASA-N 2 2 260.378 -0.637 20 0 CBADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](O)[C@H](CO)C1 ZINC000396898917 790590425 /nfs/dbraw/zinc/59/04/25/790590425.db2.gz VLMXIFKFDXWZLS-AVGNSLFASA-N 2 2 260.378 -0.637 20 0 CBADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](O)[C@H](CO)C1 ZINC000396898917 790590433 /nfs/dbraw/zinc/59/04/33/790590433.db2.gz VLMXIFKFDXWZLS-AVGNSLFASA-N 2 2 260.378 -0.637 20 0 CBADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](O)[C@H](CO)C1 ZINC000396898917 790590442 /nfs/dbraw/zinc/59/04/42/790590442.db2.gz VLMXIFKFDXWZLS-AVGNSLFASA-N 2 2 260.378 -0.637 20 0 CBADLP CNC(=O)CN1CCC([NH2+][C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000399147818 790599225 /nfs/dbraw/zinc/59/92/25/790599225.db2.gz XOQAHSAOXBCZJG-WCQYABFASA-N 2 2 268.405 -0.073 20 0 CBADLP CNC(=O)C[NH+]1CCC(N[C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000399147818 790599238 /nfs/dbraw/zinc/59/92/38/790599238.db2.gz XOQAHSAOXBCZJG-WCQYABFASA-N 2 2 268.405 -0.073 20 0 CBADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1CCN(S(C)(=O)=O)C1 ZINC000400147753 790602657 /nfs/dbraw/zinc/60/26/57/790602657.db2.gz DJXCNDBUFJKULN-DCAQKATOSA-N 2 2 261.391 -0.250 20 0 CBADLP CCO[C@@H]1C[N@H+](CC(=O)N2CCO[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000405212920 790615280 /nfs/dbraw/zinc/61/52/80/790615280.db2.gz LYKDCKQTXYXLLA-YNEHKIRRSA-N 2 2 285.388 -0.471 20 0 CBADLP CCO[C@@H]1C[N@@H+](CC(=O)N2CCO[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000405212920 790615287 /nfs/dbraw/zinc/61/52/87/790615287.db2.gz LYKDCKQTXYXLLA-YNEHKIRRSA-N 2 2 285.388 -0.471 20 0 CBADLP O=S(=O)(C1C[NH2+]C1)N1CC[NH+](C2CCC2)CC1 ZINC000405164057 790616003 /nfs/dbraw/zinc/61/60/03/790616003.db2.gz HMIANLDHCCAFCP-UHFFFAOYSA-N 2 2 259.375 -0.542 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000430883988 790624087 /nfs/dbraw/zinc/62/40/87/790624087.db2.gz SYOSVDVOCHAOAE-IJLUTSLNSA-N 2 2 255.362 -0.049 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000430883988 790624095 /nfs/dbraw/zinc/62/40/95/790624095.db2.gz SYOSVDVOCHAOAE-IJLUTSLNSA-N 2 2 255.362 -0.049 20 0 CBADLP O=C(CCn1cc[nH+]c1)N1CCC([NH2+]CCO)CC1 ZINC000686196108 790648349 /nfs/dbraw/zinc/64/83/49/790648349.db2.gz SPAGWRSPIIJRLW-UHFFFAOYSA-N 2 2 266.345 -0.154 20 0 CBADLP C[N@H+](CCS(C)(=O)=O)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000686233919 790648869 /nfs/dbraw/zinc/64/88/69/790648869.db2.gz CSTYRYPFAFFGPR-SNVBAGLBSA-N 2 2 262.375 -0.516 20 0 CBADLP C[N@@H+](CCS(C)(=O)=O)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000686233919 790648872 /nfs/dbraw/zinc/64/88/72/790648872.db2.gz CSTYRYPFAFFGPR-SNVBAGLBSA-N 2 2 262.375 -0.516 20 0 CBADLP [NH3+]C[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1C(F)(F)F ZINC000709868912 790738607 /nfs/dbraw/zinc/73/86/07/790738607.db2.gz DQVNUQLTGAPYDQ-HTQZYQBOSA-N 2 2 294.277 -0.393 20 0 CBADLP [NH3+]C[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1C(F)(F)F ZINC000709868912 790738615 /nfs/dbraw/zinc/73/86/15/790738615.db2.gz DQVNUQLTGAPYDQ-HTQZYQBOSA-N 2 2 294.277 -0.393 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)c1c(C[NH3+])cnn1C ZINC000719287012 790761220 /nfs/dbraw/zinc/76/12/20/790761220.db2.gz TYXPIVNNJHUVPE-VIFPVBQESA-N 2 2 262.317 -0.106 20 0 CBADLP O[C@@H](CN1CC[NH+]2CCC1CC2)C[NH+]1CCOCC1 ZINC000722785209 790796928 /nfs/dbraw/zinc/79/69/28/790796928.db2.gz IUVHTPPZLAMHJM-CQSZACIVSA-N 2 2 269.389 -0.541 20 0 CBADLP C[N@H+](CCN1CCOCC1)C1(C[NH3+])CCOCC1 ZINC000725062282 790818788 /nfs/dbraw/zinc/81/87/88/790818788.db2.gz WDCJPWICKDKQPP-UHFFFAOYSA-N 2 2 257.378 -0.242 20 0 CBADLP C[N@@H+](CCN1CCOCC1)C1(C[NH3+])CCOCC1 ZINC000725062282 790818796 /nfs/dbraw/zinc/81/87/96/790818796.db2.gz WDCJPWICKDKQPP-UHFFFAOYSA-N 2 2 257.378 -0.242 20 0 CBADLP O=C(N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000960376617 790935611 /nfs/dbraw/zinc/93/56/11/790935611.db2.gz RLIIZKAGPMMYTR-YFVNTRNASA-N 2 2 276.340 -0.448 20 0 CBADLP O=C(N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000960376617 790935620 /nfs/dbraw/zinc/93/56/20/790935620.db2.gz RLIIZKAGPMMYTR-YFVNTRNASA-N 2 2 276.340 -0.448 20 0 CBADLP O=C(N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000960376617 790935626 /nfs/dbraw/zinc/93/56/26/790935626.db2.gz RLIIZKAGPMMYTR-YFVNTRNASA-N 2 2 276.340 -0.448 20 0 CBADLP O=C(N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000960376617 790935636 /nfs/dbraw/zinc/93/56/36/790935636.db2.gz RLIIZKAGPMMYTR-YFVNTRNASA-N 2 2 276.340 -0.448 20 0 CBADLP NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000968976805 790936846 /nfs/dbraw/zinc/93/68/46/790936846.db2.gz PXFILFYCBBBUSP-OPRDCNLKSA-N 2 2 277.328 -0.811 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccon3)C2)C1 ZINC001021928776 790971851 /nfs/dbraw/zinc/97/18/51/790971851.db2.gz TXRAZVIYFLTRPK-FRRDWIJNSA-N 2 2 294.355 -0.258 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccon3)C2)C1 ZINC001021928776 790971862 /nfs/dbraw/zinc/97/18/62/790971862.db2.gz TXRAZVIYFLTRPK-FRRDWIJNSA-N 2 2 294.355 -0.258 20 0 CBADLP O=C(N[C@H]1C[C@@H]([NH2+]CCO)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001022231032 790997764 /nfs/dbraw/zinc/99/77/64/790997764.db2.gz PFEGQZOGIJFKKP-LMLFDSFASA-N 2 2 264.329 -0.258 20 0 CBADLP O=C(N[C@H]1C[C@@H]([NH2+]CCO)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001022231032 790997774 /nfs/dbraw/zinc/99/77/74/790997774.db2.gz PFEGQZOGIJFKKP-LMLFDSFASA-N 2 2 264.329 -0.258 20 0 CBADLP C[C@@H](CCNC(=O)Cn1cc[nH+]c1)NC(=O)CC[NH+](C)C ZINC001077184585 805696977 /nfs/dbraw/zinc/69/69/77/805696977.db2.gz MZFGUMIXNSIUAR-LBPRGKRZSA-N 2 2 295.387 -0.154 20 0 CBADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCF)C[C@H]1O ZINC001077235946 805705197 /nfs/dbraw/zinc/70/51/97/805705197.db2.gz BBNLMUJNODVEDB-FRRDWIJNSA-N 2 2 287.379 -0.008 20 0 CBADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCF)C[C@H]1O ZINC001077235946 805705203 /nfs/dbraw/zinc/70/52/03/805705203.db2.gz BBNLMUJNODVEDB-FRRDWIJNSA-N 2 2 287.379 -0.008 20 0 CBADLP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCF)C[C@H]1O ZINC001077235946 805705209 /nfs/dbraw/zinc/70/52/09/805705209.db2.gz BBNLMUJNODVEDB-FRRDWIJNSA-N 2 2 287.379 -0.008 20 0 CBADLP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCF)C[C@H]1O ZINC001077235946 805705216 /nfs/dbraw/zinc/70/52/16/805705216.db2.gz BBNLMUJNODVEDB-FRRDWIJNSA-N 2 2 287.379 -0.008 20 0 CBADLP O=C(N[C@@H]1C[N@H+](CCO)C[C@H]1O)c1cc2c[nH+]ccc2[nH]1 ZINC001077233219 805705498 /nfs/dbraw/zinc/70/54/98/805705498.db2.gz PFZPPOFABZYBGH-CHWSQXEVSA-N 2 2 290.323 -0.670 20 0 CBADLP O=C(N[C@@H]1C[N@@H+](CCO)C[C@H]1O)c1cc2c[nH+]ccc2[nH]1 ZINC001077233219 805705503 /nfs/dbraw/zinc/70/55/03/805705503.db2.gz PFZPPOFABZYBGH-CHWSQXEVSA-N 2 2 290.323 -0.670 20 0 CBADLP CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001077251828 805706916 /nfs/dbraw/zinc/70/69/16/805706916.db2.gz QWHPWBSANKMUEJ-RAIGVLPGSA-N 2 2 278.356 -0.373 20 0 CBADLP CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001077251828 805706918 /nfs/dbraw/zinc/70/69/18/805706918.db2.gz QWHPWBSANKMUEJ-RAIGVLPGSA-N 2 2 278.356 -0.373 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@@H+](CC2CC2)C[C@H]1O ZINC001078270905 805864748 /nfs/dbraw/zinc/86/47/48/805864748.db2.gz WKMVDLPUZUPXSK-VXGBXAGGSA-N 2 2 264.329 -0.546 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@H+](CC2CC2)C[C@H]1O ZINC001078270905 805864757 /nfs/dbraw/zinc/86/47/57/805864757.db2.gz WKMVDLPUZUPXSK-VXGBXAGGSA-N 2 2 264.329 -0.546 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1O ZINC001078270867 805865198 /nfs/dbraw/zinc/86/51/98/805865198.db2.gz VHPFQABESPWUNZ-CHWSQXEVSA-N 2 2 278.356 -0.156 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@H+](CCC2CC2)C[C@H]1O ZINC001078270867 805865208 /nfs/dbraw/zinc/86/52/08/805865208.db2.gz VHPFQABESPWUNZ-CHWSQXEVSA-N 2 2 278.356 -0.156 20 0 CBADLP COC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001078272462 805866098 /nfs/dbraw/zinc/86/60/98/805866098.db2.gz YDSDYBFDJJOXBE-IJLUTSLNSA-N 2 2 282.344 -0.921 20 0 CBADLP COC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001078272462 805866106 /nfs/dbraw/zinc/86/61/06/805866106.db2.gz YDSDYBFDJJOXBE-IJLUTSLNSA-N 2 2 282.344 -0.921 20 0 CBADLP CC(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001078272134 805866317 /nfs/dbraw/zinc/86/63/17/805866317.db2.gz JAQZLUFOYORMOG-VXGBXAGGSA-N 2 2 266.345 -0.300 20 0 CBADLP CC(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001078272134 805866325 /nfs/dbraw/zinc/86/63/25/805866325.db2.gz JAQZLUFOYORMOG-VXGBXAGGSA-N 2 2 266.345 -0.300 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[C@@H]([NH2+]CCO)C12CCC2 ZINC001078825616 805891703 /nfs/dbraw/zinc/89/17/03/805891703.db2.gz FEDJZAXREVTQJB-VXGBXAGGSA-N 2 2 278.356 -0.108 20 0 CBADLP C[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001080942901 806017806 /nfs/dbraw/zinc/01/78/06/806017806.db2.gz GGUNAQOJIKBBPG-UPJWGTAASA-N 2 2 294.399 -0.593 20 0 CBADLP C[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001080942901 806017815 /nfs/dbraw/zinc/01/78/15/806017815.db2.gz GGUNAQOJIKBBPG-UPJWGTAASA-N 2 2 294.399 -0.593 20 0 CBADLP C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001081036034 806022259 /nfs/dbraw/zinc/02/22/59/806022259.db2.gz IRVGMJQZDNQXJO-VXGBXAGGSA-N 2 2 293.371 -0.592 20 0 CBADLP C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001081036034 806022269 /nfs/dbraw/zinc/02/22/69/806022269.db2.gz IRVGMJQZDNQXJO-VXGBXAGGSA-N 2 2 293.371 -0.592 20 0 CBADLP CO[C@@H]1C[N@H+](C[C@H](C)O)C[C@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC001082346225 806166731 /nfs/dbraw/zinc/16/67/31/806166731.db2.gz WKKGUZOPSCFZFV-ZWKOPEQDSA-N 2 2 296.371 -0.543 20 0 CBADLP CO[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC001082346225 806166736 /nfs/dbraw/zinc/16/67/36/806166736.db2.gz WKKGUZOPSCFZFV-ZWKOPEQDSA-N 2 2 296.371 -0.543 20 0 CBADLP C[C@H]([NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C)C(N)=O ZINC001082673388 806190171 /nfs/dbraw/zinc/19/01/71/806190171.db2.gz LECYPLMXOVCNRK-GRYCIOLGSA-N 2 2 293.371 -0.417 20 0 CBADLP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001082766504 806192894 /nfs/dbraw/zinc/19/28/94/806192894.db2.gz AXXKEZYKWHBSBL-CKYFFXLPSA-N 2 2 266.345 -0.231 20 0 CBADLP CC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3c[nH+]c[nH]3)[C@H]2C1 ZINC001083206819 806237744 /nfs/dbraw/zinc/23/77/44/806237744.db2.gz UBQQRYSYEXSSCS-NWDGAFQWSA-N 2 2 264.329 -0.116 20 0 CBADLP CC[N@H+]1C[C@H]2OCCN(C(=O)Cc3c[nH+]c[nH]3)[C@H]2C1 ZINC001083206819 806237752 /nfs/dbraw/zinc/23/77/52/806237752.db2.gz UBQQRYSYEXSSCS-NWDGAFQWSA-N 2 2 264.329 -0.116 20 0 CBADLP C[C@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)Cc3c[nH+]c[nH]3)[C@H]2C1 ZINC001083207686 806239948 /nfs/dbraw/zinc/23/99/48/806239948.db2.gz ISJAEQZOUNJQAC-WCFLWFBJSA-N 2 2 294.355 -0.755 20 0 CBADLP C[C@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)Cc3c[nH+]c[nH]3)[C@H]2C1 ZINC001083207686 806239954 /nfs/dbraw/zinc/23/99/54/806239954.db2.gz ISJAEQZOUNJQAC-WCFLWFBJSA-N 2 2 294.355 -0.755 20 0 CBADLP CC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3c[nH+]cn3C)[C@H]2C1 ZINC001083248465 806241953 /nfs/dbraw/zinc/24/19/53/806241953.db2.gz IJKAXBLMFQWQKF-QWHCGFSZSA-N 2 2 278.356 -0.106 20 0 CBADLP CC[N@H+]1C[C@H]2OCCN(C(=O)Cc3c[nH+]cn3C)[C@H]2C1 ZINC001083248465 806241960 /nfs/dbraw/zinc/24/19/60/806241960.db2.gz IJKAXBLMFQWQKF-QWHCGFSZSA-N 2 2 278.356 -0.106 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001083275942 806243966 /nfs/dbraw/zinc/24/39/66/806243966.db2.gz FBNIDBJTBZHCRI-QWHCGFSZSA-N 2 2 294.355 -0.905 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001083275942 806243978 /nfs/dbraw/zinc/24/39/78/806243978.db2.gz FBNIDBJTBZHCRI-QWHCGFSZSA-N 2 2 294.355 -0.905 20 0 CBADLP CC[N@@H+]1C[C@H]2OCCN(C(=O)Cn3cc[nH+]c3)[C@H]2C1 ZINC001083290814 806245976 /nfs/dbraw/zinc/24/59/76/806245976.db2.gz YHLHCFRWXRWZJC-NWDGAFQWSA-N 2 2 264.329 -0.185 20 0 CBADLP CC[N@H+]1C[C@H]2OCCN(C(=O)Cn3cc[nH+]c3)[C@H]2C1 ZINC001083290814 806245981 /nfs/dbraw/zinc/24/59/81/806245981.db2.gz YHLHCFRWXRWZJC-NWDGAFQWSA-N 2 2 264.329 -0.185 20 0 CBADLP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCF)C[C@@H]1O ZINC001083573204 806372509 /nfs/dbraw/zinc/37/25/09/806372509.db2.gz BBNLMUJNODVEDB-UPJWGTAASA-N 2 2 287.379 -0.008 20 0 CBADLP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCF)C[C@@H]1O ZINC001083573204 806372518 /nfs/dbraw/zinc/37/25/18/806372518.db2.gz BBNLMUJNODVEDB-UPJWGTAASA-N 2 2 287.379 -0.008 20 0 CBADLP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCCF)C[C@@H]1O ZINC001083573204 806372525 /nfs/dbraw/zinc/37/25/25/806372525.db2.gz BBNLMUJNODVEDB-UPJWGTAASA-N 2 2 287.379 -0.008 20 0 CBADLP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCCF)C[C@@H]1O ZINC001083573204 806372534 /nfs/dbraw/zinc/37/25/34/806372534.db2.gz BBNLMUJNODVEDB-UPJWGTAASA-N 2 2 287.379 -0.008 20 0 CBADLP CC[N@H+]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@@H](O)C1 ZINC001083590416 806373979 /nfs/dbraw/zinc/37/39/79/806373979.db2.gz FKYXNDAVTJELFR-NEPJUHHUSA-N 2 2 282.344 -0.469 20 0 CBADLP CC[N@@H+]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@@H](O)C1 ZINC001083590416 806373987 /nfs/dbraw/zinc/37/39/87/806373987.db2.gz FKYXNDAVTJELFR-NEPJUHHUSA-N 2 2 282.344 -0.469 20 0 CBADLP COCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)[C@@H](O)C1 ZINC001083778162 806430881 /nfs/dbraw/zinc/43/08/81/806430881.db2.gz DBDWZWIRBMHZAK-UPJWGTAASA-N 2 2 285.388 -0.722 20 0 CBADLP COCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)[C@@H](O)C1 ZINC001083778162 806430887 /nfs/dbraw/zinc/43/08/87/806430887.db2.gz DBDWZWIRBMHZAK-UPJWGTAASA-N 2 2 285.388 -0.722 20 0 CBADLP COCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)[C@@H](O)C1 ZINC001083778162 806430892 /nfs/dbraw/zinc/43/08/92/806430892.db2.gz DBDWZWIRBMHZAK-UPJWGTAASA-N 2 2 285.388 -0.722 20 0 CBADLP COCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)[C@@H](O)C1 ZINC001083778162 806430896 /nfs/dbraw/zinc/43/08/96/806430896.db2.gz DBDWZWIRBMHZAK-UPJWGTAASA-N 2 2 285.388 -0.722 20 0 CBADLP C[C@H](O)C[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001083782877 806432436 /nfs/dbraw/zinc/43/24/36/806432436.db2.gz PXXBNDBNZJIWPO-XQQFMLRXSA-N 2 2 299.415 -0.740 20 0 CBADLP C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001083782877 806432442 /nfs/dbraw/zinc/43/24/42/806432442.db2.gz PXXBNDBNZJIWPO-XQQFMLRXSA-N 2 2 299.415 -0.740 20 0 CBADLP C[C@H](O)C[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001083782877 806432445 /nfs/dbraw/zinc/43/24/45/806432445.db2.gz PXXBNDBNZJIWPO-XQQFMLRXSA-N 2 2 299.415 -0.740 20 0 CBADLP C[C@H](O)C[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001083782877 806432449 /nfs/dbraw/zinc/43/24/49/806432449.db2.gz PXXBNDBNZJIWPO-XQQFMLRXSA-N 2 2 299.415 -0.740 20 0 CBADLP CO[C@H](C)C[N@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001083954271 806467751 /nfs/dbraw/zinc/46/77/51/806467751.db2.gz SAYKIJIIDVZZOT-RTXFEEFZSA-N 2 2 296.371 -0.841 20 0 CBADLP CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001083954271 806467754 /nfs/dbraw/zinc/46/77/54/806467754.db2.gz SAYKIJIIDVZZOT-RTXFEEFZSA-N 2 2 296.371 -0.841 20 0 CBADLP CC(C)[N@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001083955142 806469860 /nfs/dbraw/zinc/46/98/60/806469860.db2.gz YFZJAQUTBHDMRU-NEPJUHHUSA-N 2 2 266.345 -0.468 20 0 CBADLP CC(C)[N@@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001083955142 806469868 /nfs/dbraw/zinc/46/98/68/806469868.db2.gz YFZJAQUTBHDMRU-NEPJUHHUSA-N 2 2 266.345 -0.468 20 0 CBADLP COC[C@@H](C)[N@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](O)C1 ZINC001083997947 806472777 /nfs/dbraw/zinc/47/27/77/806472777.db2.gz RBRABMQAYWXZAX-WQAKAFBOSA-N 2 2 296.371 -0.543 20 0 CBADLP COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](O)C1 ZINC001083997947 806472780 /nfs/dbraw/zinc/47/27/80/806472780.db2.gz RBRABMQAYWXZAX-WQAKAFBOSA-N 2 2 296.371 -0.543 20 0 CBADLP CCC[N@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](O)C1 ZINC001084000336 806473304 /nfs/dbraw/zinc/47/33/04/806473304.db2.gz XYFRIVKNSLBWFG-NEPJUHHUSA-N 2 2 266.345 -0.168 20 0 CBADLP CCC[N@@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](O)C1 ZINC001084000336 806473309 /nfs/dbraw/zinc/47/33/09/806473309.db2.gz XYFRIVKNSLBWFG-NEPJUHHUSA-N 2 2 266.345 -0.168 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1O ZINC001083998932 806474399 /nfs/dbraw/zinc/47/43/99/806474399.db2.gz WKLNJDFBAFKJNY-NEPJUHHUSA-N 2 2 266.345 -0.170 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1O ZINC001083998932 806474402 /nfs/dbraw/zinc/47/44/02/806474402.db2.gz WKLNJDFBAFKJNY-NEPJUHHUSA-N 2 2 266.345 -0.170 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3CC[NH+](CCCO)C[C@H]32)C1 ZINC001084252435 806506226 /nfs/dbraw/zinc/50/62/26/806506226.db2.gz ZNTBXZUGPLGBRW-MCIONIFRSA-N 2 2 297.399 -0.768 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N2C[C@H]3CC[NH+](CCCO)C[C@H]32)C1 ZINC001084252435 806506232 /nfs/dbraw/zinc/50/62/32/806506232.db2.gz ZNTBXZUGPLGBRW-MCIONIFRSA-N 2 2 297.399 -0.768 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N2C[C@H]3CC[N@H+](CCCO)C[C@H]32)C1 ZINC001084252435 806506238 /nfs/dbraw/zinc/50/62/38/806506238.db2.gz ZNTBXZUGPLGBRW-MCIONIFRSA-N 2 2 297.399 -0.768 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N2C[C@H]3CC[N@@H+](CCCO)C[C@H]32)C1 ZINC001084252435 806506243 /nfs/dbraw/zinc/50/62/43/806506243.db2.gz ZNTBXZUGPLGBRW-MCIONIFRSA-N 2 2 297.399 -0.768 20 0 CBADLP CC[C@H](C(=O)N1C[C@H]2CC[N@H+](CC(=O)NC)C[C@H]21)[NH+](C)C ZINC001084447972 806519678 /nfs/dbraw/zinc/51/96/78/806519678.db2.gz DHBUGLSIFJQNKQ-JHJVBQTASA-N 2 2 296.415 -0.395 20 0 CBADLP CC[C@H](C(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC)C[C@H]21)[NH+](C)C ZINC001084447972 806519682 /nfs/dbraw/zinc/51/96/82/806519682.db2.gz DHBUGLSIFJQNKQ-JHJVBQTASA-N 2 2 296.415 -0.395 20 0 CBADLP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@H]3CC[NH+](CC(N)=O)C[C@H]32)C1 ZINC001084775350 806536546 /nfs/dbraw/zinc/53/65/46/806536546.db2.gz CCKLCBFYOHIIFQ-YNEHKIRRSA-N 2 2 294.399 -0.654 20 0 CBADLP C[N@H+]1CC[C@@H](CC(=O)N2C[C@H]3CC[NH+](CC(N)=O)C[C@H]32)C1 ZINC001084775350 806536552 /nfs/dbraw/zinc/53/65/52/806536552.db2.gz CCKLCBFYOHIIFQ-YNEHKIRRSA-N 2 2 294.399 -0.654 20 0 CBADLP C[NH+]1CC[C@@H](CC(=O)N2C[C@H]3CC[N@H+](CC(N)=O)C[C@H]32)C1 ZINC001084775350 806536556 /nfs/dbraw/zinc/53/65/56/806536556.db2.gz CCKLCBFYOHIIFQ-YNEHKIRRSA-N 2 2 294.399 -0.654 20 0 CBADLP C[NH+]1CC[C@@H](CC(=O)N2C[C@H]3CC[N@@H+](CC(N)=O)C[C@H]32)C1 ZINC001084775350 806536562 /nfs/dbraw/zinc/53/65/62/806536562.db2.gz CCKLCBFYOHIIFQ-YNEHKIRRSA-N 2 2 294.399 -0.654 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CC[N@@H+](CC(N)=O)C[C@H]21 ZINC001084832961 806538954 /nfs/dbraw/zinc/53/89/54/806538954.db2.gz HQCJNWQXKSCLCM-VXGBXAGGSA-N 2 2 291.355 -0.790 20 0 CBADLP C[C@@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001084866456 806540304 /nfs/dbraw/zinc/54/03/04/806540304.db2.gz QYGCJJKAKYFWAL-JHJVBQTASA-N 2 2 278.356 -0.203 20 0 CBADLP C[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001084866456 806540306 /nfs/dbraw/zinc/54/03/06/806540306.db2.gz QYGCJJKAKYFWAL-JHJVBQTASA-N 2 2 278.356 -0.203 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CC[N@H+](CC(N)=O)C[C@H]21 ZINC001084832961 806538948 /nfs/dbraw/zinc/53/89/48/806538948.db2.gz HQCJNWQXKSCLCM-VXGBXAGGSA-N 2 2 291.355 -0.790 20 0 CBADLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH]c[nH+]1)C(N)=O ZINC001085345970 806553888 /nfs/dbraw/zinc/55/38/88/806553888.db2.gz ZNLKHEZLBKVXQE-YUSALJHKSA-N 2 2 293.371 -0.157 20 0 CBADLP CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001085531285 806572774 /nfs/dbraw/zinc/57/27/74/806572774.db2.gz PJYURMUAMWBZEI-NWDGAFQWSA-N 2 2 255.362 -0.130 20 0 CBADLP CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001085531285 806572777 /nfs/dbraw/zinc/57/27/77/806572777.db2.gz PJYURMUAMWBZEI-NWDGAFQWSA-N 2 2 255.362 -0.130 20 0 CBADLP CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001085531285 806572782 /nfs/dbraw/zinc/57/27/82/806572782.db2.gz PJYURMUAMWBZEI-NWDGAFQWSA-N 2 2 255.362 -0.130 20 0 CBADLP CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001085531285 806572788 /nfs/dbraw/zinc/57/27/88/806572788.db2.gz PJYURMUAMWBZEI-NWDGAFQWSA-N 2 2 255.362 -0.130 20 0 CBADLP CN(C[C@@H]1CC[N@@H+]1CCCO)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001085531190 806573738 /nfs/dbraw/zinc/57/37/38/806573738.db2.gz NOQZCWZHDBNZCO-QWHCGFSZSA-N 2 2 285.388 -0.768 20 0 CBADLP CN(C[C@@H]1CC[N@H+]1CCCO)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001085531190 806573746 /nfs/dbraw/zinc/57/37/46/806573746.db2.gz NOQZCWZHDBNZCO-QWHCGFSZSA-N 2 2 285.388 -0.768 20 0 CBADLP CN(C[C@@H]1CC[NH+]1CCCO)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001085531190 806573752 /nfs/dbraw/zinc/57/37/52/806573752.db2.gz NOQZCWZHDBNZCO-QWHCGFSZSA-N 2 2 285.388 -0.768 20 0 CBADLP CN(C[C@@H]1CC[NH+]1CCCO)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001085531190 806573759 /nfs/dbraw/zinc/57/37/59/806573759.db2.gz NOQZCWZHDBNZCO-QWHCGFSZSA-N 2 2 285.388 -0.768 20 0 CBADLP CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001085531287 806574079 /nfs/dbraw/zinc/57/40/79/806574079.db2.gz PJYURMUAMWBZEI-VXGBXAGGSA-N 2 2 255.362 -0.130 20 0 CBADLP CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001085531287 806574083 /nfs/dbraw/zinc/57/40/83/806574083.db2.gz PJYURMUAMWBZEI-VXGBXAGGSA-N 2 2 255.362 -0.130 20 0 CBADLP CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001085531287 806574089 /nfs/dbraw/zinc/57/40/89/806574089.db2.gz PJYURMUAMWBZEI-VXGBXAGGSA-N 2 2 255.362 -0.130 20 0 CBADLP CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001085531287 806574093 /nfs/dbraw/zinc/57/40/93/806574093.db2.gz PJYURMUAMWBZEI-VXGBXAGGSA-N 2 2 255.362 -0.130 20 0 CBADLP CN(C[C@H]1CC[N@@H+]1CCO)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001085681598 806591543 /nfs/dbraw/zinc/59/15/43/806591543.db2.gz AWRAGCKQZXBWBV-TZMCWYRMSA-N 2 2 292.383 -0.030 20 0 CBADLP CN(C[C@H]1CC[N@H+]1CCO)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001085681598 806591551 /nfs/dbraw/zinc/59/15/51/806591551.db2.gz AWRAGCKQZXBWBV-TZMCWYRMSA-N 2 2 292.383 -0.030 20 0 CBADLP CN(C[C@H]1CC[N@@H+]1CCO)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001085676404 806591688 /nfs/dbraw/zinc/59/16/88/806591688.db2.gz ORLGUTJFFGKTND-CHWSQXEVSA-N 2 2 292.383 -0.030 20 0 CBADLP CN(C[C@H]1CC[N@H+]1CCO)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001085676404 806591693 /nfs/dbraw/zinc/59/16/93/806591693.db2.gz ORLGUTJFFGKTND-CHWSQXEVSA-N 2 2 292.383 -0.030 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C[C@@H]2CC[NH+]2CCO)O1 ZINC001085670808 806592939 /nfs/dbraw/zinc/59/29/39/806592939.db2.gz FXJZIJLJJFSOFU-FRRDWIJNSA-N 2 2 285.388 -0.770 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C[C@@H]2CC[NH+]2CCO)O1 ZINC001085670808 806592948 /nfs/dbraw/zinc/59/29/48/806592948.db2.gz FXJZIJLJJFSOFU-FRRDWIJNSA-N 2 2 285.388 -0.770 20 0 CBADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)C[C@@H]2CC[N@@H+]2CCO)O1 ZINC001085670808 806592950 /nfs/dbraw/zinc/59/29/50/806592950.db2.gz FXJZIJLJJFSOFU-FRRDWIJNSA-N 2 2 285.388 -0.770 20 0 CBADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)C[C@@H]2CC[N@H+]2CCO)O1 ZINC001085670808 806592965 /nfs/dbraw/zinc/59/29/65/806592965.db2.gz FXJZIJLJJFSOFU-FRRDWIJNSA-N 2 2 285.388 -0.770 20 0 CBADLP CN(C)C(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001085968854 806626701 /nfs/dbraw/zinc/62/67/01/806626701.db2.gz QOYKCUFOCUINNA-QWHCGFSZSA-N 2 2 296.415 -0.441 20 0 CBADLP CN(C)C(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001085968854 806626704 /nfs/dbraw/zinc/62/67/04/806626704.db2.gz QOYKCUFOCUINNA-QWHCGFSZSA-N 2 2 296.415 -0.441 20 0 CBADLP CN(C)C(=O)C[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001085968854 806626711 /nfs/dbraw/zinc/62/67/11/806626711.db2.gz QOYKCUFOCUINNA-QWHCGFSZSA-N 2 2 296.415 -0.441 20 0 CBADLP CN(C)C(=O)C[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001085968854 806626715 /nfs/dbraw/zinc/62/67/15/806626715.db2.gz QOYKCUFOCUINNA-QWHCGFSZSA-N 2 2 296.415 -0.441 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)N(C)C[C@@H]2CC[NH+]2CCOC)C1 ZINC001085980274 806629116 /nfs/dbraw/zinc/62/91/16/806629116.db2.gz MMOZTQZAJZGQKZ-UONOGXRCSA-N 2 2 299.415 -0.114 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)N(C)C[C@@H]2CC[NH+]2CCOC)C1 ZINC001085980274 806629119 /nfs/dbraw/zinc/62/91/19/806629119.db2.gz MMOZTQZAJZGQKZ-UONOGXRCSA-N 2 2 299.415 -0.114 20 0 CBADLP CC[NH+]1CCO[C@@H](C(=O)N(C)C[C@@H]2CC[N@@H+]2CCOC)C1 ZINC001085980274 806629124 /nfs/dbraw/zinc/62/91/24/806629124.db2.gz MMOZTQZAJZGQKZ-UONOGXRCSA-N 2 2 299.415 -0.114 20 0 CBADLP CC[NH+]1CCO[C@@H](C(=O)N(C)C[C@@H]2CC[N@H+]2CCOC)C1 ZINC001085980274 806629128 /nfs/dbraw/zinc/62/91/28/806629128.db2.gz MMOZTQZAJZGQKZ-UONOGXRCSA-N 2 2 299.415 -0.114 20 0 CBADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCO)C1 ZINC001022736543 798839685 /nfs/dbraw/zinc/83/96/85/798839685.db2.gz XLBZEINLLSDPJC-WRWGMCAJSA-N 2 2 278.356 -0.247 20 0 CBADLP CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)C1)C(N)=O ZINC001022978241 798871601 /nfs/dbraw/zinc/87/16/01/798871601.db2.gz WEDWVIJYQPOUKZ-JFGNBEQYSA-N 2 2 293.371 -0.537 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@@H]([NH2+]C[C@H](C)O)C1 ZINC001023025042 798874780 /nfs/dbraw/zinc/87/47/80/798874780.db2.gz RSPKIMYOZPXYCX-INTQDDNPSA-N 2 2 266.345 -0.122 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CC(N)=O ZINC001024367234 798934537 /nfs/dbraw/zinc/93/45/37/798934537.db2.gz YICKNMPBIXJTSJ-NEPJUHHUSA-N 2 2 282.388 -0.463 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CC(N)=O ZINC001024367234 798934540 /nfs/dbraw/zinc/93/45/40/798934540.db2.gz YICKNMPBIXJTSJ-NEPJUHHUSA-N 2 2 282.388 -0.463 20 0 CBADLP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CC(N)=O ZINC001024367234 798934546 /nfs/dbraw/zinc/93/45/46/798934546.db2.gz YICKNMPBIXJTSJ-NEPJUHHUSA-N 2 2 282.388 -0.463 20 0 CBADLP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CC(N)=O ZINC001024367234 798934550 /nfs/dbraw/zinc/93/45/50/798934550.db2.gz YICKNMPBIXJTSJ-NEPJUHHUSA-N 2 2 282.388 -0.463 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2CC[C@@H]([NH2+]CCO)[C@@H]2C1 ZINC001026432266 799003861 /nfs/dbraw/zinc/00/38/61/799003861.db2.gz QDPBMIKYKNCWNB-YNEHKIRRSA-N 2 2 278.356 -0.298 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2CC[C@@H]([NH2+]CCO)[C@H]2C1 ZINC001026432264 799004422 /nfs/dbraw/zinc/00/44/22/799004422.db2.gz QDPBMIKYKNCWNB-RWMBFGLXSA-N 2 2 278.356 -0.298 20 0 CBADLP NC(=O)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC001026432325 799004452 /nfs/dbraw/zinc/00/44/52/799004452.db2.gz RIDAYDLXFFSDLJ-QJPTWQEYSA-N 2 2 291.355 -0.805 20 0 CBADLP C[C@@H]([NH2+]C1CCC(NC(=O)Cc2[nH]cc[nH+]2)CC1)C(N)=O ZINC001026583526 799010097 /nfs/dbraw/zinc/01/00/97/799010097.db2.gz XBLVJDKCIWHBCU-KPPDAEKUSA-N 2 2 293.371 -0.157 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@@H]([N@H+](C)CC(N)=O)C1 ZINC001027651835 799062160 /nfs/dbraw/zinc/06/21/60/799062160.db2.gz OGVUUIBYBVJHPN-LLVKDONJSA-N 2 2 293.371 -0.629 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@@H]([N@@H+](C)CC(N)=O)C1 ZINC001027651835 799062169 /nfs/dbraw/zinc/06/21/69/799062169.db2.gz OGVUUIBYBVJHPN-LLVKDONJSA-N 2 2 293.371 -0.629 20 0 CBADLP C[N@H+](CCO)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001027702316 799064147 /nfs/dbraw/zinc/06/41/47/799064147.db2.gz AWYSGARRQAKUJD-LBPRGKRZSA-N 2 2 266.345 -0.202 20 0 CBADLP C[N@@H+](CCO)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001027702316 799064149 /nfs/dbraw/zinc/06/41/49/799064149.db2.gz AWYSGARRQAKUJD-LBPRGKRZSA-N 2 2 266.345 -0.202 20 0 CBADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CC(N)=O ZINC001027878610 799092354 /nfs/dbraw/zinc/09/23/54/799092354.db2.gz FLFLEXHVDPSEEO-QWHCGFSZSA-N 2 2 296.415 -0.075 20 0 CBADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CC(N)=O ZINC001027878610 799092357 /nfs/dbraw/zinc/09/23/57/799092357.db2.gz FLFLEXHVDPSEEO-QWHCGFSZSA-N 2 2 296.415 -0.075 20 0 CBADLP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC(N)=O ZINC001027878610 799092363 /nfs/dbraw/zinc/09/23/63/799092363.db2.gz FLFLEXHVDPSEEO-QWHCGFSZSA-N 2 2 296.415 -0.075 20 0 CBADLP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC(N)=O ZINC001027878610 799092369 /nfs/dbraw/zinc/09/23/69/799092369.db2.gz FLFLEXHVDPSEEO-QWHCGFSZSA-N 2 2 296.415 -0.075 20 0 CBADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CC(N)=O ZINC001027878608 799094406 /nfs/dbraw/zinc/09/44/06/799094406.db2.gz FLFLEXHVDPSEEO-CHWSQXEVSA-N 2 2 296.415 -0.075 20 0 CBADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CC(N)=O ZINC001027878608 799094414 /nfs/dbraw/zinc/09/44/14/799094414.db2.gz FLFLEXHVDPSEEO-CHWSQXEVSA-N 2 2 296.415 -0.075 20 0 CBADLP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC(N)=O ZINC001027878608 799094420 /nfs/dbraw/zinc/09/44/20/799094420.db2.gz FLFLEXHVDPSEEO-CHWSQXEVSA-N 2 2 296.415 -0.075 20 0 CBADLP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CC(N)=O ZINC001027878608 799094428 /nfs/dbraw/zinc/09/44/28/799094428.db2.gz FLFLEXHVDPSEEO-CHWSQXEVSA-N 2 2 296.415 -0.075 20 0 CBADLP CNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001027972176 799097689 /nfs/dbraw/zinc/09/76/89/799097689.db2.gz RHIYWLNFZSQCSV-CHWSQXEVSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001027972176 799097695 /nfs/dbraw/zinc/09/76/95/799097695.db2.gz RHIYWLNFZSQCSV-CHWSQXEVSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001027972176 799097703 /nfs/dbraw/zinc/09/77/03/799097703.db2.gz RHIYWLNFZSQCSV-CHWSQXEVSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001027972176 799097712 /nfs/dbraw/zinc/09/77/12/799097712.db2.gz RHIYWLNFZSQCSV-CHWSQXEVSA-N 2 2 296.415 -0.203 20 0 CBADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1CC[N@H+](CCO)C1 ZINC001028811584 799171369 /nfs/dbraw/zinc/17/13/69/799171369.db2.gz OFDWIFZZEHNFEG-JHJVBQTASA-N 2 2 292.383 -0.046 20 0 CBADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1CC[N@@H+](CCO)C1 ZINC001028811584 799171372 /nfs/dbraw/zinc/17/13/72/799171372.db2.gz OFDWIFZZEHNFEG-JHJVBQTASA-N 2 2 292.383 -0.046 20 0 CBADLP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CC[NH+](Cc3cnon3)C2)C1 ZINC001028987598 799183768 /nfs/dbraw/zinc/18/37/68/799183768.db2.gz ZCZZUKQXZZBCMA-VXGBXAGGSA-N 2 2 293.371 -0.041 20 0 CBADLP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CC[NH+](Cc3cnon3)C2)C1 ZINC001028987598 799183769 /nfs/dbraw/zinc/18/37/69/799183769.db2.gz ZCZZUKQXZZBCMA-VXGBXAGGSA-N 2 2 293.371 -0.041 20 0 CBADLP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CC[N@H+](Cc3cnon3)C2)C1 ZINC001028987598 799183771 /nfs/dbraw/zinc/18/37/71/799183771.db2.gz ZCZZUKQXZZBCMA-VXGBXAGGSA-N 2 2 293.371 -0.041 20 0 CBADLP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CC[N@@H+](Cc3cnon3)C2)C1 ZINC001028987598 799183772 /nfs/dbraw/zinc/18/37/72/799183772.db2.gz ZCZZUKQXZZBCMA-VXGBXAGGSA-N 2 2 293.371 -0.041 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3CCO)O1 ZINC001029356918 799196592 /nfs/dbraw/zinc/19/65/92/799196592.db2.gz XAMFCZFEEUXRLU-YIYPIFLZSA-N 2 2 297.399 -0.627 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3CCO)O1 ZINC001029356918 799196593 /nfs/dbraw/zinc/19/65/93/799196593.db2.gz XAMFCZFEEUXRLU-YIYPIFLZSA-N 2 2 297.399 -0.627 20 0 CBADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CCO)O1 ZINC001029356918 799196594 /nfs/dbraw/zinc/19/65/94/799196594.db2.gz XAMFCZFEEUXRLU-YIYPIFLZSA-N 2 2 297.399 -0.627 20 0 CBADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCO)O1 ZINC001029356918 799196595 /nfs/dbraw/zinc/19/65/95/799196595.db2.gz XAMFCZFEEUXRLU-YIYPIFLZSA-N 2 2 297.399 -0.627 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[NH+]([C@@H]2CCNC2=O)C1 ZINC001030025463 799212636 /nfs/dbraw/zinc/21/26/36/799212636.db2.gz JUFRZRILRRKNPU-JHJVBQTASA-N 2 2 294.399 -0.450 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[NH+]([C@@H]2CCNC2=O)C1 ZINC001030025463 799212647 /nfs/dbraw/zinc/21/26/47/799212647.db2.gz JUFRZRILRRKNPU-JHJVBQTASA-N 2 2 294.399 -0.450 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001030025463 799212654 /nfs/dbraw/zinc/21/26/54/799212654.db2.gz JUFRZRILRRKNPU-JHJVBQTASA-N 2 2 294.399 -0.450 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001030025463 799212661 /nfs/dbraw/zinc/21/26/61/799212661.db2.gz JUFRZRILRRKNPU-JHJVBQTASA-N 2 2 294.399 -0.450 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[NH+]([C@H]2CCNC2=O)C1 ZINC001030025464 799213352 /nfs/dbraw/zinc/21/33/52/799213352.db2.gz JUFRZRILRRKNPU-UPJWGTAASA-N 2 2 294.399 -0.450 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[NH+]([C@H]2CCNC2=O)C1 ZINC001030025464 799213360 /nfs/dbraw/zinc/21/33/60/799213360.db2.gz JUFRZRILRRKNPU-UPJWGTAASA-N 2 2 294.399 -0.450 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001030025464 799213363 /nfs/dbraw/zinc/21/33/63/799213363.db2.gz JUFRZRILRRKNPU-UPJWGTAASA-N 2 2 294.399 -0.450 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+]([C@H]2CCNC2=O)C1 ZINC001030025464 799213368 /nfs/dbraw/zinc/21/33/68/799213368.db2.gz JUFRZRILRRKNPU-UPJWGTAASA-N 2 2 294.399 -0.450 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001030033195 799215882 /nfs/dbraw/zinc/21/58/82/799215882.db2.gz HLQYCNGTRIFGOW-AGIUHOORSA-N 2 2 296.415 -0.075 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001030033195 799215886 /nfs/dbraw/zinc/21/58/86/799215886.db2.gz HLQYCNGTRIFGOW-AGIUHOORSA-N 2 2 296.415 -0.075 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001030033195 799215889 /nfs/dbraw/zinc/21/58/89/799215889.db2.gz HLQYCNGTRIFGOW-AGIUHOORSA-N 2 2 296.415 -0.075 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001030033195 799215893 /nfs/dbraw/zinc/21/58/93/799215893.db2.gz HLQYCNGTRIFGOW-AGIUHOORSA-N 2 2 296.415 -0.075 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001030032231 799216687 /nfs/dbraw/zinc/21/66/87/799216687.db2.gz INJMKZAAITWOCR-RWMBFGLXSA-N 2 2 296.415 -0.204 20 0 CBADLP CNC(=O)[C@H](C)[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001030032231 799216693 /nfs/dbraw/zinc/21/66/93/799216693.db2.gz INJMKZAAITWOCR-RWMBFGLXSA-N 2 2 296.415 -0.204 20 0 CBADLP CNC(=O)[C@H](C)[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001030032231 799216696 /nfs/dbraw/zinc/21/66/96/799216696.db2.gz INJMKZAAITWOCR-RWMBFGLXSA-N 2 2 296.415 -0.204 20 0 CBADLP CNC(=O)[C@H](C)[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001030032231 799216702 /nfs/dbraw/zinc/21/67/02/799216702.db2.gz INJMKZAAITWOCR-RWMBFGLXSA-N 2 2 296.415 -0.204 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)NC2C[NH+](CC3CCC3)C2)C1 ZINC001030180066 799257272 /nfs/dbraw/zinc/25/72/72/799257272.db2.gz KEAHMNURKFASNW-ZDUSSCGKSA-N 2 2 267.373 -0.083 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)NC2C[NH+](CC3CCC3)C2)C1 ZINC001030180066 799257275 /nfs/dbraw/zinc/25/72/75/799257275.db2.gz KEAHMNURKFASNW-ZDUSSCGKSA-N 2 2 267.373 -0.083 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)NC2C[NH+](CC3CCC3)C2)C1 ZINC001030180065 799257491 /nfs/dbraw/zinc/25/74/91/799257491.db2.gz KEAHMNURKFASNW-CYBMUJFWSA-N 2 2 267.373 -0.083 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)NC2C[NH+](CC3CCC3)C2)C1 ZINC001030180065 799257496 /nfs/dbraw/zinc/25/74/96/799257496.db2.gz KEAHMNURKFASNW-CYBMUJFWSA-N 2 2 267.373 -0.083 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)NC2C[NH+](C[C@@H]3CCOC3)C2)C1 ZINC001030180298 799257577 /nfs/dbraw/zinc/25/75/77/799257577.db2.gz NXGWSGPLACCGBA-AAEUAGOBSA-N 2 2 283.372 -0.846 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)NC2C[NH+](C[C@@H]3CCOC3)C2)C1 ZINC001030180298 799257582 /nfs/dbraw/zinc/25/75/82/799257582.db2.gz NXGWSGPLACCGBA-AAEUAGOBSA-N 2 2 283.372 -0.846 20 0 CBADLP O=C(NC1C[NH+](CCCO)C1)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001030345480 799300317 /nfs/dbraw/zinc/30/03/17/799300317.db2.gz FOSYHYWZFXSXHU-STQMWFEESA-N 2 2 283.372 -0.968 20 0 CBADLP O=C(NC1C[NH+](CCCO)C1)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001030345480 799300325 /nfs/dbraw/zinc/30/03/25/799300325.db2.gz FOSYHYWZFXSXHU-STQMWFEESA-N 2 2 283.372 -0.968 20 0 CBADLP CC(C)C[N@@H+]1CC[C@H](C(=O)NC2C[NH+](CCO)C2)C1 ZINC001030432157 799315343 /nfs/dbraw/zinc/31/53/43/799315343.db2.gz AREPQJRLZATCQT-LBPRGKRZSA-N 2 2 269.389 -0.243 20 0 CBADLP CC(C)C[N@H+]1CC[C@H](C(=O)NC2C[NH+](CCO)C2)C1 ZINC001030432157 799315351 /nfs/dbraw/zinc/31/53/51/799315351.db2.gz AREPQJRLZATCQT-LBPRGKRZSA-N 2 2 269.389 -0.243 20 0 CBADLP CC[C@@H](C[NH+]1CC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1)OC ZINC001030515425 799329926 /nfs/dbraw/zinc/32/99/26/799329926.db2.gz WSXNXFVYZPMNMC-KWCYVHTRSA-N 2 2 299.415 -0.069 20 0 CBADLP CC[C@@H](C[NH+]1CC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1)OC ZINC001030515425 799329933 /nfs/dbraw/zinc/32/99/33/799329933.db2.gz WSXNXFVYZPMNMC-KWCYVHTRSA-N 2 2 299.415 -0.069 20 0 CBADLP CC[NH+]1CC(NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001030705618 799365137 /nfs/dbraw/zinc/36/51/37/799365137.db2.gz GZAUPEOEIPPIEY-KSGYAGIASA-N 2 2 265.357 -0.330 20 0 CBADLP CC[NH+]1CC(NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001030705618 799365145 /nfs/dbraw/zinc/36/51/45/799365145.db2.gz GZAUPEOEIPPIEY-KSGYAGIASA-N 2 2 265.357 -0.330 20 0 CBADLP CC[NH+]1CC(NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001030839672 799394177 /nfs/dbraw/zinc/39/41/77/799394177.db2.gz PVHCAZLPPNKJBP-GFCCVEGCSA-N 2 2 255.362 -0.084 20 0 CBADLP CC[NH+]1CC(NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001030839672 799394186 /nfs/dbraw/zinc/39/41/86/799394186.db2.gz PVHCAZLPPNKJBP-GFCCVEGCSA-N 2 2 255.362 -0.084 20 0 CBADLP C[C@H](O)C[NH+]1CC(NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001030956168 799416305 /nfs/dbraw/zinc/41/63/05/799416305.db2.gz UNDDTVKZALAPNJ-QWRGUYRKSA-N 2 2 255.362 -0.348 20 0 CBADLP C[C@H](O)C[NH+]1CC(NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001030956168 799416309 /nfs/dbraw/zinc/41/63/09/799416309.db2.gz UNDDTVKZALAPNJ-QWRGUYRKSA-N 2 2 255.362 -0.348 20 0 CBADLP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NC1C[NH+](CCCO)C1 ZINC001030964859 799420431 /nfs/dbraw/zinc/42/04/31/799420431.db2.gz XDMWCAAZXCEAOJ-CMPLNLGQSA-N 2 2 255.362 -0.633 20 0 CBADLP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC1C[NH+](CCCO)C1 ZINC001030964859 799420434 /nfs/dbraw/zinc/42/04/34/799420434.db2.gz XDMWCAAZXCEAOJ-CMPLNLGQSA-N 2 2 255.362 -0.633 20 0 CBADLP C[C@@H](O)C[NH+]1CC(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001031051269 799433434 /nfs/dbraw/zinc/43/34/34/799433434.db2.gz QZVHLRKDYNUZKR-LLVKDONJSA-N 2 2 269.389 -0.101 20 0 CBADLP C[NH+]1CCC(CC(=O)NC2C[NH+](CCO)C2)CC1 ZINC001031052891 799433516 /nfs/dbraw/zinc/43/35/16/799433516.db2.gz QIGJWWSSCCEBEU-UHFFFAOYSA-N 2 2 255.362 -0.489 20 0 CBADLP COC[C@@H](C)[NH+]1CC(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001031263625 799466384 /nfs/dbraw/zinc/46/63/84/799466384.db2.gz SQDIGDCLMNJZBB-LLVKDONJSA-N 2 2 267.373 -0.083 20 0 CBADLP C[C@H](O)C[NH+]1CC(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001031265136 799466719 /nfs/dbraw/zinc/46/67/19/799466719.db2.gz ANKDNPJULJNNQQ-JTQLQIEISA-N 2 2 253.346 -0.737 20 0 CBADLP Cn1nccc1CC[NH+]1CC(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001031385291 799480315 /nfs/dbraw/zinc/48/03/15/799480315.db2.gz ZQOZVBPUUCSPNZ-LBPRGKRZSA-N 2 2 291.399 -0.285 20 0 CBADLP Cn1nccc1CC[NH+]1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001031385291 799480318 /nfs/dbraw/zinc/48/03/18/799480318.db2.gz ZQOZVBPUUCSPNZ-LBPRGKRZSA-N 2 2 291.399 -0.285 20 0 CBADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001031665655 799530400 /nfs/dbraw/zinc/53/04/00/799530400.db2.gz CVJTWDGJLTYXAP-AAEUAGOBSA-N 2 2 296.415 -0.219 20 0 CBADLP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001031665655 799530401 /nfs/dbraw/zinc/53/04/01/799530401.db2.gz CVJTWDGJLTYXAP-AAEUAGOBSA-N 2 2 296.415 -0.219 20 0 CBADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+]([C@H](C)C(N)=O)C1 ZINC001031665658 799531011 /nfs/dbraw/zinc/53/10/11/799531011.db2.gz CVJTWDGJLTYXAP-YPMHNXCESA-N 2 2 296.415 -0.219 20 0 CBADLP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+]([C@H](C)C(N)=O)C1 ZINC001031665658 799531015 /nfs/dbraw/zinc/53/10/15/799531015.db2.gz CVJTWDGJLTYXAP-YPMHNXCESA-N 2 2 296.415 -0.219 20 0 CBADLP CNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001031674758 799532050 /nfs/dbraw/zinc/53/20/50/799532050.db2.gz ONQRYISGZPPJAL-CYBMUJFWSA-N 2 2 294.399 -0.878 20 0 CBADLP CC(C)C[N@@H+]1CC[C@H](C(=O)NCC2C[NH+](CC(N)=O)C2)C1 ZINC001031729922 799538568 /nfs/dbraw/zinc/53/85/68/799538568.db2.gz WKNMZQJKEAODMU-ZDUSSCGKSA-N 2 2 296.415 -0.502 20 0 CBADLP CC(C)C[N@H+]1CC[C@H](C(=O)NCC2C[NH+](CC(N)=O)C2)C1 ZINC001031729922 799538571 /nfs/dbraw/zinc/53/85/71/799538571.db2.gz WKNMZQJKEAODMU-ZDUSSCGKSA-N 2 2 296.415 -0.502 20 0 CBADLP C[C@@H](O)C[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001031743978 799539253 /nfs/dbraw/zinc/53/92/53/799539253.db2.gz CQPXAYLTGLYJPW-YUSALJHKSA-N 2 2 278.356 -0.058 20 0 CBADLP CNC(=O)C[NH+]1CC(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001031773787 799542169 /nfs/dbraw/zinc/54/21/69/799542169.db2.gz BOGKBWSDFKIFIY-GFCCVEGCSA-N 2 2 282.388 -0.735 20 0 CBADLP CNC(=O)C[NH+]1CC(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001031773787 799542171 /nfs/dbraw/zinc/54/21/71/799542171.db2.gz BOGKBWSDFKIFIY-GFCCVEGCSA-N 2 2 282.388 -0.735 20 0 CBADLP C[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+]([C@H]2CCNC2=O)C1 ZINC001031777204 799543664 /nfs/dbraw/zinc/54/36/64/799543664.db2.gz YHTZVSLFYZBPRK-STQMWFEESA-N 2 2 294.399 -0.593 20 0 CBADLP C[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+]([C@H]2CCNC2=O)C1 ZINC001031777204 799543666 /nfs/dbraw/zinc/54/36/66/799543666.db2.gz YHTZVSLFYZBPRK-STQMWFEESA-N 2 2 294.399 -0.593 20 0 CBADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC1C[NH+](CCO)C1)C2 ZINC001031787621 799544497 /nfs/dbraw/zinc/54/44/97/799544497.db2.gz DZCSHISOWHIAJK-GFCCVEGCSA-N 2 2 292.383 -0.137 20 0 CBADLP NC(=O)C[NH+]1CC(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001031813065 799548233 /nfs/dbraw/zinc/54/82/33/799548233.db2.gz OPBLNMFNEASSJG-UHFFFAOYSA-N 2 2 280.372 -0.852 20 0 CBADLP CCC[N@@H+]1CCC[C@H](C(=O)NCC2C[NH+](CC(N)=O)C2)C1 ZINC001031917231 799562393 /nfs/dbraw/zinc/56/23/93/799562393.db2.gz RNSYEPPUABNLAJ-ZDUSSCGKSA-N 2 2 296.415 -0.358 20 0 CBADLP CCC[N@H+]1CCC[C@H](C(=O)NCC2C[NH+](CC(N)=O)C2)C1 ZINC001031917231 799562399 /nfs/dbraw/zinc/56/23/99/799562399.db2.gz RNSYEPPUABNLAJ-ZDUSSCGKSA-N 2 2 296.415 -0.358 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001032130123 799583773 /nfs/dbraw/zinc/58/37/73/799583773.db2.gz GQMHFFSFOYPZCR-JTQLQIEISA-N 2 2 280.372 -0.996 20 0 CBADLP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H](CC)C(N)=O)[NH+](C)C ZINC001032474305 799632968 /nfs/dbraw/zinc/63/29/68/799632968.db2.gz UMLIHKQWJLILRM-ZDEQEGDKSA-N 2 2 296.415 -0.124 20 0 CBADLP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H](CC)C(N)=O)[NH+](C)C ZINC001032474305 799632970 /nfs/dbraw/zinc/63/29/70/799632970.db2.gz UMLIHKQWJLILRM-ZDEQEGDKSA-N 2 2 296.415 -0.124 20 0 CBADLP C[C@@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1c[nH+]cn1C ZINC001032733047 799661768 /nfs/dbraw/zinc/66/17/68/799661768.db2.gz HNRLKPLQCPFWJD-WXHSDQCUSA-N 2 2 278.356 -0.372 20 0 CBADLP C[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1c[nH+]cn1C ZINC001032733047 799661772 /nfs/dbraw/zinc/66/17/72/799661772.db2.gz HNRLKPLQCPFWJD-WXHSDQCUSA-N 2 2 278.356 -0.372 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCO ZINC001032759257 799663402 /nfs/dbraw/zinc/66/34/02/799663402.db2.gz FZJJSORQUKMEMN-STQMWFEESA-N 2 2 278.356 -0.370 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCO ZINC001032759257 799663405 /nfs/dbraw/zinc/66/34/05/799663405.db2.gz FZJJSORQUKMEMN-STQMWFEESA-N 2 2 278.356 -0.370 20 0 CBADLP CN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)[C@H]3CCC[NH+]3C)C2)C1=O ZINC001032828303 799673601 /nfs/dbraw/zinc/67/36/01/799673601.db2.gz BORZWVVHZKMDJC-XQQFMLRXSA-N 2 2 294.399 -0.498 20 0 CBADLP CN1CC[C@H]([N@H+]2CC[C@H](NC(=O)[C@H]3CCC[NH+]3C)C2)C1=O ZINC001032828303 799673607 /nfs/dbraw/zinc/67/36/07/799673607.db2.gz BORZWVVHZKMDJC-XQQFMLRXSA-N 2 2 294.399 -0.498 20 0 CBADLP CN1CC[C@H]([NH+]2CC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)C1=O ZINC001032828303 799673612 /nfs/dbraw/zinc/67/36/12/799673612.db2.gz BORZWVVHZKMDJC-XQQFMLRXSA-N 2 2 294.399 -0.498 20 0 CBADLP CN1CC[C@H]([NH+]2CC[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)C1=O ZINC001032828303 799673619 /nfs/dbraw/zinc/67/36/19/799673619.db2.gz BORZWVVHZKMDJC-XQQFMLRXSA-N 2 2 294.399 -0.498 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+]([C@H]2CCCNC2=O)C1 ZINC001032838126 799677710 /nfs/dbraw/zinc/67/77/10/799677710.db2.gz AGORCXCDOOSVGC-UPJWGTAASA-N 2 2 294.399 -0.450 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+]([C@H]2CCCNC2=O)C1 ZINC001032838126 799677713 /nfs/dbraw/zinc/67/77/13/799677713.db2.gz AGORCXCDOOSVGC-UPJWGTAASA-N 2 2 294.399 -0.450 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC001032838126 799677718 /nfs/dbraw/zinc/67/77/18/799677718.db2.gz AGORCXCDOOSVGC-UPJWGTAASA-N 2 2 294.399 -0.450 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001032838126 799677722 /nfs/dbraw/zinc/67/77/22/799677722.db2.gz AGORCXCDOOSVGC-UPJWGTAASA-N 2 2 294.399 -0.450 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001032838413 799678177 /nfs/dbraw/zinc/67/81/77/799678177.db2.gz UPRYPCMWESRQCZ-IJLUTSLNSA-N 2 2 282.388 -0.465 20 0 CBADLP CC[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001032838413 799678179 /nfs/dbraw/zinc/67/81/79/799678179.db2.gz UPRYPCMWESRQCZ-IJLUTSLNSA-N 2 2 282.388 -0.465 20 0 CBADLP CC[C@H](C(N)=O)[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001032838413 799678181 /nfs/dbraw/zinc/67/81/81/799678181.db2.gz UPRYPCMWESRQCZ-IJLUTSLNSA-N 2 2 282.388 -0.465 20 0 CBADLP CC[C@H](C(N)=O)[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001032838413 799678183 /nfs/dbraw/zinc/67/81/83/799678183.db2.gz UPRYPCMWESRQCZ-IJLUTSLNSA-N 2 2 282.388 -0.465 20 0 CBADLP CN(C)C(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001032959484 799697429 /nfs/dbraw/zinc/69/74/29/799697429.db2.gz HHIBOIMJNIDWGS-OLZOCXBDSA-N 2 2 296.415 -0.299 20 0 CBADLP CN(C)C(=O)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001032959484 799697430 /nfs/dbraw/zinc/69/74/30/799697430.db2.gz HHIBOIMJNIDWGS-OLZOCXBDSA-N 2 2 296.415 -0.299 20 0 CBADLP CN(C)C(=O)C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001032959484 799697433 /nfs/dbraw/zinc/69/74/33/799697433.db2.gz HHIBOIMJNIDWGS-OLZOCXBDSA-N 2 2 296.415 -0.299 20 0 CBADLP CN(C)C(=O)C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001032959484 799697434 /nfs/dbraw/zinc/69/74/34/799697434.db2.gz HHIBOIMJNIDWGS-OLZOCXBDSA-N 2 2 296.415 -0.299 20 0 CBADLP COCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001032978174 799699540 /nfs/dbraw/zinc/69/95/40/799699540.db2.gz XWMXYSQUPDMZJW-OLZOCXBDSA-N 2 2 285.388 -0.504 20 0 CBADLP COCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001032978174 799699542 /nfs/dbraw/zinc/69/95/42/799699542.db2.gz XWMXYSQUPDMZJW-OLZOCXBDSA-N 2 2 285.388 -0.504 20 0 CBADLP COCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001032978174 799699545 /nfs/dbraw/zinc/69/95/45/799699545.db2.gz XWMXYSQUPDMZJW-OLZOCXBDSA-N 2 2 285.388 -0.504 20 0 CBADLP COCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001032978174 799699549 /nfs/dbraw/zinc/69/95/49/799699549.db2.gz XWMXYSQUPDMZJW-OLZOCXBDSA-N 2 2 285.388 -0.504 20 0 CBADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](CC(N)=O)C1 ZINC001033127585 799718242 /nfs/dbraw/zinc/71/82/42/799718242.db2.gz WGKAUYQCMJYPQQ-QWHCGFSZSA-N 2 2 296.415 -0.121 20 0 CBADLP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](CC(N)=O)C1 ZINC001033127585 799718245 /nfs/dbraw/zinc/71/82/45/799718245.db2.gz WGKAUYQCMJYPQQ-QWHCGFSZSA-N 2 2 296.415 -0.121 20 0 CBADLP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033127585 799718250 /nfs/dbraw/zinc/71/82/50/799718250.db2.gz WGKAUYQCMJYPQQ-QWHCGFSZSA-N 2 2 296.415 -0.121 20 0 CBADLP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033127585 799718254 /nfs/dbraw/zinc/71/82/54/799718254.db2.gz WGKAUYQCMJYPQQ-QWHCGFSZSA-N 2 2 296.415 -0.121 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033268515 799733419 /nfs/dbraw/zinc/73/34/19/799733419.db2.gz ZHXGCYVILOJEHZ-NSHDSACASA-N 2 2 279.344 -0.790 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033268515 799733424 /nfs/dbraw/zinc/73/34/24/799733424.db2.gz ZHXGCYVILOJEHZ-NSHDSACASA-N 2 2 279.344 -0.790 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC001033268284 799734182 /nfs/dbraw/zinc/73/41/82/799734182.db2.gz XQABKTAZNZNDNE-GFCCVEGCSA-N 2 2 293.371 -0.530 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC001033268284 799734184 /nfs/dbraw/zinc/73/41/84/799734184.db2.gz XQABKTAZNZNDNE-GFCCVEGCSA-N 2 2 293.371 -0.530 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001033454657 799756446 /nfs/dbraw/zinc/75/64/46/799756446.db2.gz FJTJPDCYZKMDKE-ZYHUDNBSSA-N 2 2 293.371 -0.381 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001033454657 799756451 /nfs/dbraw/zinc/75/64/51/799756451.db2.gz FJTJPDCYZKMDKE-ZYHUDNBSSA-N 2 2 293.371 -0.381 20 0 CBADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@H+](CCCO)C1 ZINC001033456050 799757266 /nfs/dbraw/zinc/75/72/66/799757266.db2.gz QSLKKFUTZZWLOM-GFCCVEGCSA-N 2 2 266.345 -0.133 20 0 CBADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@@H+](CCCO)C1 ZINC001033456050 799757269 /nfs/dbraw/zinc/75/72/69/799757269.db2.gz QSLKKFUTZZWLOM-GFCCVEGCSA-N 2 2 266.345 -0.133 20 0 CBADLP C[C@H](O)C[N@@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001033453594 799757313 /nfs/dbraw/zinc/75/73/13/799757313.db2.gz XKEUUNWMRRKMSE-JQWIXIFHSA-N 2 2 266.345 -0.134 20 0 CBADLP C[C@H](O)C[N@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001033453594 799757316 /nfs/dbraw/zinc/75/73/16/799757316.db2.gz XKEUUNWMRRKMSE-JQWIXIFHSA-N 2 2 266.345 -0.134 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001033454722 799757750 /nfs/dbraw/zinc/75/77/50/799757750.db2.gz GHSAAITVMROARE-RYUDHWBXSA-N 2 2 293.371 -0.251 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001033454722 799757753 /nfs/dbraw/zinc/75/77/53/799757753.db2.gz GHSAAITVMROARE-RYUDHWBXSA-N 2 2 293.371 -0.251 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033657272 799776245 /nfs/dbraw/zinc/77/62/45/799776245.db2.gz IQFLKGGMDNYHBJ-CHWSQXEVSA-N 2 2 296.415 -0.251 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033657272 799776253 /nfs/dbraw/zinc/77/62/53/799776253.db2.gz IQFLKGGMDNYHBJ-CHWSQXEVSA-N 2 2 296.415 -0.251 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N(C)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033659250 799778736 /nfs/dbraw/zinc/77/87/36/799778736.db2.gz WNSRSGOVRSFQCJ-NSHDSACASA-N 2 2 279.344 -0.790 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N(C)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033659250 799778739 /nfs/dbraw/zinc/77/87/39/799778739.db2.gz WNSRSGOVRSFQCJ-NSHDSACASA-N 2 2 279.344 -0.790 20 0 CBADLP CN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@H+](CCO)C1 ZINC001033703461 799782722 /nfs/dbraw/zinc/78/27/22/799782722.db2.gz FDNXPDWJYVDDOU-LLVKDONJSA-N 2 2 252.318 -0.592 20 0 CBADLP CN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@@H+](CCO)C1 ZINC001033703461 799782725 /nfs/dbraw/zinc/78/27/25/799782725.db2.gz FDNXPDWJYVDDOU-LLVKDONJSA-N 2 2 252.318 -0.592 20 0 CBADLP CCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@H]1CC[N@H+](CCO)C1 ZINC001033790370 799790577 /nfs/dbraw/zinc/79/05/77/799790577.db2.gz VCDZRTSPCZRFOE-QWHCGFSZSA-N 2 2 285.388 -0.768 20 0 CBADLP CCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@H]1CC[N@@H+](CCO)C1 ZINC001033790370 799790580 /nfs/dbraw/zinc/79/05/80/799790580.db2.gz VCDZRTSPCZRFOE-QWHCGFSZSA-N 2 2 285.388 -0.768 20 0 CBADLP CCN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@H]1CC[NH+](CCO)C1 ZINC001033790370 799790581 /nfs/dbraw/zinc/79/05/81/799790581.db2.gz VCDZRTSPCZRFOE-QWHCGFSZSA-N 2 2 285.388 -0.768 20 0 CBADLP CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@H]1CC[NH+](CCO)C1 ZINC001033790370 799790584 /nfs/dbraw/zinc/79/05/84/799790584.db2.gz VCDZRTSPCZRFOE-QWHCGFSZSA-N 2 2 285.388 -0.768 20 0 CBADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CC[N@H+](CCCO)C1 ZINC001033789015 799791044 /nfs/dbraw/zinc/79/10/44/799791044.db2.gz LSSSIZSXPNGZQG-KGLIPLIRSA-N 2 2 299.415 -0.378 20 0 CBADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CC[N@@H+](CCCO)C1 ZINC001033789015 799791051 /nfs/dbraw/zinc/79/10/51/799791051.db2.gz LSSSIZSXPNGZQG-KGLIPLIRSA-N 2 2 299.415 -0.378 20 0 CBADLP CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@@H]1CC[NH+](CCCO)C1 ZINC001033789015 799791054 /nfs/dbraw/zinc/79/10/54/799791054.db2.gz LSSSIZSXPNGZQG-KGLIPLIRSA-N 2 2 299.415 -0.378 20 0 CBADLP CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@@H]1CC[NH+](CCCO)C1 ZINC001033789015 799791060 /nfs/dbraw/zinc/79/10/60/799791060.db2.gz LSSSIZSXPNGZQG-KGLIPLIRSA-N 2 2 299.415 -0.378 20 0 CBADLP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCCC[NH+](CC(N)=O)C1 ZINC001034400369 799837462 /nfs/dbraw/zinc/83/74/62/799837462.db2.gz XMUMOBLKEYGFKA-QWHCGFSZSA-N 2 2 296.415 -0.073 20 0 CBADLP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCCC[NH+](CC(N)=O)C1 ZINC001034400369 799837469 /nfs/dbraw/zinc/83/74/69/799837469.db2.gz XMUMOBLKEYGFKA-QWHCGFSZSA-N 2 2 296.415 -0.073 20 0 CBADLP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1CCCC[N@H+](CC(N)=O)C1 ZINC001034400369 799837477 /nfs/dbraw/zinc/83/74/77/799837477.db2.gz XMUMOBLKEYGFKA-QWHCGFSZSA-N 2 2 296.415 -0.073 20 0 CBADLP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1CCCC[N@@H+](CC(N)=O)C1 ZINC001034400369 799837480 /nfs/dbraw/zinc/83/74/80/799837480.db2.gz XMUMOBLKEYGFKA-QWHCGFSZSA-N 2 2 296.415 -0.073 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CCCC[N@H+](CCO)C1 ZINC001034491054 799843560 /nfs/dbraw/zinc/84/35/60/799843560.db2.gz PIJKBAUMTSYTBW-LBPRGKRZSA-N 2 2 280.372 -0.074 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CCCC[N@@H+](CCO)C1 ZINC001034491054 799843565 /nfs/dbraw/zinc/84/35/65/799843565.db2.gz PIJKBAUMTSYTBW-LBPRGKRZSA-N 2 2 280.372 -0.074 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[C@H]([NH2+]CCO)CC1 ZINC001034775539 799855238 /nfs/dbraw/zinc/85/52/38/799855238.db2.gz CGRDNCGZLHUFNF-HAQNSBGRSA-N 2 2 280.372 -0.028 20 0 CBADLP C[C@@H]1[C@H](C(=O)NC[C@H]2C[NH+](CCO)CCO2)CC[N@@H+]1C ZINC001035372002 799910105 /nfs/dbraw/zinc/91/01/05/799910105.db2.gz KCVMRHWAVXHBCM-FRRDWIJNSA-N 2 2 285.388 -0.864 20 0 CBADLP C[C@@H]1[C@H](C(=O)NC[C@H]2C[NH+](CCO)CCO2)CC[N@H+]1C ZINC001035372002 799910108 /nfs/dbraw/zinc/91/01/08/799910108.db2.gz KCVMRHWAVXHBCM-FRRDWIJNSA-N 2 2 285.388 -0.864 20 0 CBADLP C[C@@H]1[C@H](C(=O)NC[C@H]2C[N@H+](CCO)CCO2)CC[NH+]1C ZINC001035372002 799910112 /nfs/dbraw/zinc/91/01/12/799910112.db2.gz KCVMRHWAVXHBCM-FRRDWIJNSA-N 2 2 285.388 -0.864 20 0 CBADLP C[C@@H]1[C@H](C(=O)NC[C@H]2C[N@@H+](CCO)CCO2)CC[NH+]1C ZINC001035372002 799910115 /nfs/dbraw/zinc/91/01/15/799910115.db2.gz KCVMRHWAVXHBCM-FRRDWIJNSA-N 2 2 285.388 -0.864 20 0 CBADLP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[NH+](CCO)CCO1 ZINC001035418292 799916377 /nfs/dbraw/zinc/91/63/77/799916377.db2.gz WZPBCQQKXVSWMS-STQMWFEESA-N 2 2 285.388 -0.720 20 0 CBADLP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[NH+](CCO)CCO1 ZINC001035418292 799916381 /nfs/dbraw/zinc/91/63/81/799916381.db2.gz WZPBCQQKXVSWMS-STQMWFEESA-N 2 2 285.388 -0.720 20 0 CBADLP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001035418292 799916386 /nfs/dbraw/zinc/91/63/86/799916386.db2.gz WZPBCQQKXVSWMS-STQMWFEESA-N 2 2 285.388 -0.720 20 0 CBADLP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001035418292 799916390 /nfs/dbraw/zinc/91/63/90/799916390.db2.gz WZPBCQQKXVSWMS-STQMWFEESA-N 2 2 285.388 -0.720 20 0 CBADLP COCC[N@@H+]1CCO[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001035492356 799931918 /nfs/dbraw/zinc/93/19/18/799931918.db2.gz KGJOCYSJJAHTSU-CQSZACIVSA-N 2 2 299.415 -0.208 20 0 CBADLP COCC[N@H+]1CCO[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001035492356 799931923 /nfs/dbraw/zinc/93/19/23/799931923.db2.gz KGJOCYSJJAHTSU-CQSZACIVSA-N 2 2 299.415 -0.208 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CCC2(C[NH+](CCO)C2)CC1 ZINC001035836904 799964738 /nfs/dbraw/zinc/96/47/38/799964738.db2.gz POPZOUCMPDNKGV-UHFFFAOYSA-N 2 2 292.383 -0.121 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CCC2(C[NH+](CCO)C2)CC1 ZINC001035860669 799965114 /nfs/dbraw/zinc/96/51/14/799965114.db2.gz CRBRDCXFGYDUFG-UHFFFAOYSA-N 2 2 278.356 -0.200 20 0 CBADLP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@@H]1[NH2+]CC(N)=O ZINC001036203861 799982561 /nfs/dbraw/zinc/98/25/61/799982561.db2.gz HPHFPEOEFDKGCG-ONGXEEELSA-N 2 2 279.344 -0.736 20 0 CBADLP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@H]1[NH2+]CCO ZINC001036194851 799982731 /nfs/dbraw/zinc/98/27/31/799982731.db2.gz SICKTCAPXPONIB-CMPLNLGQSA-N 2 2 266.345 -0.229 20 0 CBADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@H]1[NH2+]CC(N)=O ZINC001036203860 799983116 /nfs/dbraw/zinc/98/31/16/799983116.db2.gz HPHFPEOEFDKGCG-MWLCHTKSSA-N 2 2 279.344 -0.736 20 0 CBADLP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CCO ZINC001038406160 800106740 /nfs/dbraw/zinc/10/67/40/800106740.db2.gz AULQUJGHEPIUPN-NEPJUHHUSA-N 2 2 255.362 -0.347 20 0 CBADLP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CCO ZINC001038406160 800106745 /nfs/dbraw/zinc/10/67/45/800106745.db2.gz AULQUJGHEPIUPN-NEPJUHHUSA-N 2 2 255.362 -0.347 20 0 CBADLP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CCO ZINC001038406160 800106751 /nfs/dbraw/zinc/10/67/51/800106751.db2.gz AULQUJGHEPIUPN-NEPJUHHUSA-N 2 2 255.362 -0.347 20 0 CBADLP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CCO ZINC001038406160 800106755 /nfs/dbraw/zinc/10/67/55/800106755.db2.gz AULQUJGHEPIUPN-NEPJUHHUSA-N 2 2 255.362 -0.347 20 0 CBADLP O=C(NC[C@@H]1CC[N@H+]1CCO)[C@H]1CCn2c[nH+]cc2C1 ZINC001038420374 800109239 /nfs/dbraw/zinc/10/92/39/800109239.db2.gz YTFDSHBNDZJTMY-RYUDHWBXSA-N 2 2 278.356 -0.372 20 0 CBADLP O=C(NC[C@@H]1CC[N@@H+]1CCO)[C@H]1CCn2c[nH+]cc2C1 ZINC001038420374 800109242 /nfs/dbraw/zinc/10/92/42/800109242.db2.gz YTFDSHBNDZJTMY-RYUDHWBXSA-N 2 2 278.356 -0.372 20 0 CBADLP Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@H]1CC[N@@H+]1CCO)CC2 ZINC001038649079 801231757 /nfs/dbraw/zinc/23/17/57/801231757.db2.gz YBVXUQPCBSSYHX-CHWSQXEVSA-N 2 2 292.383 -0.063 20 0 CBADLP Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@H]1CC[N@H+]1CCO)CC2 ZINC001038649079 801231761 /nfs/dbraw/zinc/23/17/61/801231761.db2.gz YBVXUQPCBSSYHX-CHWSQXEVSA-N 2 2 292.383 -0.063 20 0 CBADLP Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@@H]1CC[N@@H+]1CCO)CC2 ZINC001038649083 801231834 /nfs/dbraw/zinc/23/18/34/801231834.db2.gz YBVXUQPCBSSYHX-OLZOCXBDSA-N 2 2 292.383 -0.063 20 0 CBADLP Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@@H]1CC[N@H+]1CCO)CC2 ZINC001038649083 801231840 /nfs/dbraw/zinc/23/18/40/801231840.db2.gz YBVXUQPCBSSYHX-OLZOCXBDSA-N 2 2 292.383 -0.063 20 0 CBADLP C[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+]2[C@@H]2CCNC2=O)CC1 ZINC001038663931 801234289 /nfs/dbraw/zinc/23/42/89/801234289.db2.gz RDROQILKDRAXQW-QWHCGFSZSA-N 2 2 294.399 -0.593 20 0 CBADLP C[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+]2[C@@H]2CCNC2=O)CC1 ZINC001038663931 801234294 /nfs/dbraw/zinc/23/42/94/801234294.db2.gz RDROQILKDRAXQW-QWHCGFSZSA-N 2 2 294.399 -0.593 20 0 CBADLP CN(C)C(=O)C[N@@H+]1CC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001038663700 801234534 /nfs/dbraw/zinc/23/45/34/801234534.db2.gz QQUSAECVUUHGRY-ZDUSSCGKSA-N 2 2 296.415 -0.393 20 0 CBADLP CN(C)C(=O)C[N@H+]1CC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001038663700 801234538 /nfs/dbraw/zinc/23/45/38/801234538.db2.gz QQUSAECVUUHGRY-ZDUSSCGKSA-N 2 2 296.415 -0.393 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001038926832 801268822 /nfs/dbraw/zinc/26/88/22/801268822.db2.gz RZFQOJXXFFSNJN-RYUDHWBXSA-N 2 2 294.399 -0.463 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001038926832 801268827 /nfs/dbraw/zinc/26/88/27/801268827.db2.gz RZFQOJXXFFSNJN-RYUDHWBXSA-N 2 2 294.399 -0.463 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001038926831 801268837 /nfs/dbraw/zinc/26/88/37/801268837.db2.gz RZFQOJXXFFSNJN-NWDGAFQWSA-N 2 2 294.399 -0.463 20 0 CBADLP CC[C@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001038926831 801268841 /nfs/dbraw/zinc/26/88/41/801268841.db2.gz RZFQOJXXFFSNJN-NWDGAFQWSA-N 2 2 294.399 -0.463 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CC[C@]2(CC[N@H+](CCO)C2)C1 ZINC001041786140 801419833 /nfs/dbraw/zinc/41/98/33/801419833.db2.gz DRZARHXAWRBRSU-HNNXBMFYSA-N 2 2 292.383 -0.121 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CC[C@]2(CC[N@@H+](CCO)C2)C1 ZINC001041786140 801419836 /nfs/dbraw/zinc/41/98/36/801419836.db2.gz DRZARHXAWRBRSU-HNNXBMFYSA-N 2 2 292.383 -0.121 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CC[C@@]2(CC[N@@H+](CCO)C2)C1 ZINC001041855526 801423463 /nfs/dbraw/zinc/42/34/63/801423463.db2.gz KAUSRYZPYSACIN-CQSZACIVSA-N 2 2 278.356 -0.200 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CC[C@@]2(CC[N@H+](CCO)C2)C1 ZINC001041855526 801423487 /nfs/dbraw/zinc/42/34/87/801423487.db2.gz KAUSRYZPYSACIN-CQSZACIVSA-N 2 2 278.356 -0.200 20 0 CBADLP NC(=O)C[N@@H+]1CC[C@@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001041855690 801424518 /nfs/dbraw/zinc/42/45/18/801424518.db2.gz MYVCBTAPHIVYLM-CQSZACIVSA-N 2 2 291.355 -0.707 20 0 CBADLP NC(=O)C[N@H+]1CC[C@@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001041855690 801424522 /nfs/dbraw/zinc/42/45/22/801424522.db2.gz MYVCBTAPHIVYLM-CQSZACIVSA-N 2 2 291.355 -0.707 20 0 CBADLP C[C@@H](O)C[NH+]1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001042545556 801489236 /nfs/dbraw/zinc/48/92/36/801489236.db2.gz FESZYOXZPWLYFQ-ZYHUDNBSSA-N 2 2 255.362 -0.396 20 0 CBADLP C[C@@H](O)C[NH+]1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001042545556 801489240 /nfs/dbraw/zinc/48/92/40/801489240.db2.gz FESZYOXZPWLYFQ-ZYHUDNBSSA-N 2 2 255.362 -0.396 20 0 CBADLP C[C@H](O)C[NH+]1CC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001043099876 801540246 /nfs/dbraw/zinc/54/02/46/801540246.db2.gz RBFOQPFIUBJYSR-WCQYABFASA-N 2 2 269.389 -0.006 20 0 CBADLP C[C@H](O)C[NH+]1CC(N(C)C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001043099876 801540253 /nfs/dbraw/zinc/54/02/53/801540253.db2.gz RBFOQPFIUBJYSR-WCQYABFASA-N 2 2 269.389 -0.006 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N(C)C1C[NH+](C[C@@H](C)O)C1 ZINC001043358696 801558757 /nfs/dbraw/zinc/55/87/57/801558757.db2.gz ZIPAOSTZGLGLFW-LLVKDONJSA-N 2 2 266.345 -0.285 20 0 CBADLP COCC[NH+]1CC(N(C)C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001043626869 801579319 /nfs/dbraw/zinc/57/93/19/801579319.db2.gz CAPBMPAEEQYVNK-CQSZACIVSA-N 2 2 299.415 -0.115 20 0 CBADLP COCC[NH+]1CC(N(C)C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001043626869 801579322 /nfs/dbraw/zinc/57/93/22/801579322.db2.gz CAPBMPAEEQYVNK-CQSZACIVSA-N 2 2 299.415 -0.115 20 0 CBADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N(C)C2C[NH+](CCCO)C2)C1 ZINC001043629508 801580924 /nfs/dbraw/zinc/58/09/24/801580924.db2.gz PWVLMBWFTLNZEM-CQSZACIVSA-N 2 2 299.415 -0.379 20 0 CBADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N(C)C2C[NH+](CCCO)C2)C1 ZINC001043629508 801580928 /nfs/dbraw/zinc/58/09/28/801580928.db2.gz PWVLMBWFTLNZEM-CQSZACIVSA-N 2 2 299.415 -0.379 20 0 CBADLP CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1C[NH+](CCn2cccn2)C1 ZINC001044292479 801637038 /nfs/dbraw/zinc/63/70/38/801637038.db2.gz NYXJIJIEXAAOIX-CYBMUJFWSA-N 2 2 291.399 -0.023 20 0 CBADLP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1C[NH+](CCn2cccn2)C1 ZINC001044292479 801637043 /nfs/dbraw/zinc/63/70/43/801637043.db2.gz NYXJIJIEXAAOIX-CYBMUJFWSA-N 2 2 291.399 -0.023 20 0 CBADLP C[C@H]1C[C@@H]([NH2+]CC(N)=O)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001044579581 801657955 /nfs/dbraw/zinc/65/79/55/801657955.db2.gz JEOSFWBAESFAOH-QWRGUYRKSA-N 2 2 293.371 -0.203 20 0 CBADLP C[C@@H]1C[C@H]([NH2+]CCO)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001044804817 801670268 /nfs/dbraw/zinc/67/02/68/801670268.db2.gz BJNBNTLKYWECTQ-GHMZBOCLSA-N 2 2 266.345 -0.086 20 0 CBADLP C[C@H]1C[C@H]([NH2+]CCO)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001044804820 801670298 /nfs/dbraw/zinc/67/02/98/801670298.db2.gz BJNBNTLKYWECTQ-WDEREUQCSA-N 2 2 266.345 -0.086 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N1CCC[C@H]1C[NH2+][C@H]1CCNC1=O ZINC001045253619 801690251 /nfs/dbraw/zinc/69/02/51/801690251.db2.gz LXBWXHTUKLWKTR-QWRGUYRKSA-N 2 2 291.355 -0.579 20 0 CBADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@]1(C)CC[NH+](CC(N)=O)C1 ZINC001046558362 801775086 /nfs/dbraw/zinc/77/50/86/801775086.db2.gz SQSAKOXTLTWVDV-SMDDNHRTSA-N 2 2 282.388 -0.463 20 0 CBADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@]1(C)CC[NH+](CC(N)=O)C1 ZINC001046558362 801775089 /nfs/dbraw/zinc/77/50/89/801775089.db2.gz SQSAKOXTLTWVDV-SMDDNHRTSA-N 2 2 282.388 -0.463 20 0 CBADLP C[NH+]1CCCC[C@H]1C(=O)N[C@]1(C)CC[N@H+](CC(N)=O)C1 ZINC001046558362 801775092 /nfs/dbraw/zinc/77/50/92/801775092.db2.gz SQSAKOXTLTWVDV-SMDDNHRTSA-N 2 2 282.388 -0.463 20 0 CBADLP C[NH+]1CCCC[C@H]1C(=O)N[C@]1(C)CC[N@@H+](CC(N)=O)C1 ZINC001046558362 801775094 /nfs/dbraw/zinc/77/50/94/801775094.db2.gz SQSAKOXTLTWVDV-SMDDNHRTSA-N 2 2 282.388 -0.463 20 0 CBADLP CC(C)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001047334017 801840499 /nfs/dbraw/zinc/84/04/99/801840499.db2.gz VZCSTBMBAYGDRU-RWMBFGLXSA-N 2 2 285.388 -0.771 20 0 CBADLP CC(C)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001047334017 801840506 /nfs/dbraw/zinc/84/05/06/801840506.db2.gz VZCSTBMBAYGDRU-RWMBFGLXSA-N 2 2 285.388 -0.771 20 0 CBADLP CC(C)[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001047334017 801840512 /nfs/dbraw/zinc/84/05/12/801840512.db2.gz VZCSTBMBAYGDRU-RWMBFGLXSA-N 2 2 285.388 -0.771 20 0 CBADLP CC(C)[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001047334017 801840518 /nfs/dbraw/zinc/84/05/18/801840518.db2.gz VZCSTBMBAYGDRU-RWMBFGLXSA-N 2 2 285.388 -0.771 20 0 CBADLP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1C[N@H+](CCF)C[C@@H]1O ZINC001047629165 801913351 /nfs/dbraw/zinc/91/33/51/801913351.db2.gz SFHFTIILIKHPGN-SRVKXCTJSA-N 2 2 273.352 -0.589 20 0 CBADLP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001047629165 801913358 /nfs/dbraw/zinc/91/33/58/801913358.db2.gz SFHFTIILIKHPGN-SRVKXCTJSA-N 2 2 273.352 -0.589 20 0 CBADLP CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1C[NH+](CCF)C[C@@H]1O ZINC001047629165 801913363 /nfs/dbraw/zinc/91/33/63/801913363.db2.gz SFHFTIILIKHPGN-SRVKXCTJSA-N 2 2 273.352 -0.589 20 0 CBADLP CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1C[NH+](CCF)C[C@@H]1O ZINC001047629165 801913366 /nfs/dbraw/zinc/91/33/66/801913366.db2.gz SFHFTIILIKHPGN-SRVKXCTJSA-N 2 2 273.352 -0.589 20 0 CBADLP CO[C@@H](C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001047645906 801917072 /nfs/dbraw/zinc/91/70/72/801917072.db2.gz BCTAANVTUGIIBW-AVGNSLFASA-N 2 2 296.371 -0.579 20 0 CBADLP CO[C@@H](C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001047645906 801917076 /nfs/dbraw/zinc/91/70/76/801917076.db2.gz BCTAANVTUGIIBW-AVGNSLFASA-N 2 2 296.371 -0.579 20 0 CBADLP CN(C(=O)Cn1cc[nH+]c1)[C@H]1C[N@H+](CC2CC2)C[C@@H]1O ZINC001047646856 801917524 /nfs/dbraw/zinc/91/75/24/801917524.db2.gz NACAKBCFZGGYJA-STQMWFEESA-N 2 2 278.356 -0.203 20 0 CBADLP CN(C(=O)Cn1cc[nH+]c1)[C@H]1C[N@@H+](CC2CC2)C[C@@H]1O ZINC001047646856 801917531 /nfs/dbraw/zinc/91/75/31/801917531.db2.gz NACAKBCFZGGYJA-STQMWFEESA-N 2 2 278.356 -0.203 20 0 CBADLP CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001047646898 801918422 /nfs/dbraw/zinc/91/84/22/801918422.db2.gz PDHUUTHLDPYJRQ-QWRGUYRKSA-N 2 2 252.318 -0.594 20 0 CBADLP CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001047646898 801918427 /nfs/dbraw/zinc/91/84/27/801918427.db2.gz PDHUUTHLDPYJRQ-QWRGUYRKSA-N 2 2 252.318 -0.594 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](CCF)C[C@@H]3C2)C1 ZINC001048739663 801961328 /nfs/dbraw/zinc/96/13/28/801961328.db2.gz NBTDGMAZAMVGFG-XQQFMLRXSA-N 2 2 285.363 -0.323 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](CCF)C[C@@H]3C2)C1 ZINC001048739663 801961329 /nfs/dbraw/zinc/96/13/29/801961329.db2.gz NBTDGMAZAMVGFG-XQQFMLRXSA-N 2 2 285.363 -0.323 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@@H+](CCF)C[C@@H]3C2)C1 ZINC001048739663 801961332 /nfs/dbraw/zinc/96/13/32/801961332.db2.gz NBTDGMAZAMVGFG-XQQFMLRXSA-N 2 2 285.363 -0.323 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@H+](CCF)C[C@@H]3C2)C1 ZINC001048739663 801961333 /nfs/dbraw/zinc/96/13/33/801961333.db2.gz NBTDGMAZAMVGFG-XQQFMLRXSA-N 2 2 285.363 -0.323 20 0 CBADLP C[C@H](O)C[N@H+]1C[C@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]2C1 ZINC001049174710 802003279 /nfs/dbraw/zinc/00/32/79/802003279.db2.gz XOPRFRNZJGFIMX-RWMBFGLXSA-N 2 2 292.383 -0.266 20 0 CBADLP C[C@H](O)C[N@@H+]1C[C@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]2C1 ZINC001049174710 802003287 /nfs/dbraw/zinc/00/32/87/802003287.db2.gz XOPRFRNZJGFIMX-RWMBFGLXSA-N 2 2 292.383 -0.266 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CC(N)=O ZINC001049367887 802016632 /nfs/dbraw/zinc/01/66/32/802016632.db2.gz BMFVLDFKZFLAGX-FRRDWIJNSA-N 2 2 294.399 -0.369 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CC(N)=O ZINC001049367887 802016641 /nfs/dbraw/zinc/01/66/41/802016641.db2.gz BMFVLDFKZFLAGX-FRRDWIJNSA-N 2 2 294.399 -0.369 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC(N)=O ZINC001049367887 802016646 /nfs/dbraw/zinc/01/66/46/802016646.db2.gz BMFVLDFKZFLAGX-FRRDWIJNSA-N 2 2 294.399 -0.369 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC(N)=O ZINC001049367887 802016653 /nfs/dbraw/zinc/01/66/53/802016653.db2.gz BMFVLDFKZFLAGX-FRRDWIJNSA-N 2 2 294.399 -0.369 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001050183509 802055947 /nfs/dbraw/zinc/05/59/47/802055947.db2.gz DFTHWGTYFDBADA-GXTWGEPZSA-N 2 2 292.383 -0.122 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001050183509 802055952 /nfs/dbraw/zinc/05/59/52/802055952.db2.gz DFTHWGTYFDBADA-GXTWGEPZSA-N 2 2 292.383 -0.122 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001052749196 802214529 /nfs/dbraw/zinc/21/45/29/802214529.db2.gz RWCYJDHROLAWCC-WDEREUQCSA-N 2 2 293.371 -0.203 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001052749196 802214532 /nfs/dbraw/zinc/21/45/32/802214532.db2.gz RWCYJDHROLAWCC-WDEREUQCSA-N 2 2 293.371 -0.203 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@H+](CC(N)=O)CC1 ZINC001052931027 802225067 /nfs/dbraw/zinc/22/50/67/802225067.db2.gz MAOLGBGCGCZFLT-GFCCVEGCSA-N 2 2 293.371 -0.352 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)CC1 ZINC001052931027 802225080 /nfs/dbraw/zinc/22/50/80/802225080.db2.gz MAOLGBGCGCZFLT-GFCCVEGCSA-N 2 2 293.371 -0.352 20 0 CBADLP CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001052970742 802227481 /nfs/dbraw/zinc/22/74/81/802227481.db2.gz WVCZMRIWGRWBPD-GFCCVEGCSA-N 2 2 293.371 -0.400 20 0 CBADLP CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001052970742 802227486 /nfs/dbraw/zinc/22/74/86/802227486.db2.gz WVCZMRIWGRWBPD-GFCCVEGCSA-N 2 2 293.371 -0.400 20 0 CBADLP NC(=O)C[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001052972788 802227579 /nfs/dbraw/zinc/22/75/79/802227579.db2.gz WFICDGGNIICDKK-NSHDSACASA-N 2 2 279.344 -0.661 20 0 CBADLP NC(=O)C[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001052972788 802227587 /nfs/dbraw/zinc/22/75/87/802227587.db2.gz WFICDGGNIICDKK-NSHDSACASA-N 2 2 279.344 -0.661 20 0 CBADLP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2COC3(C[NH+](CCO)C3)C2)C1 ZINC001053982183 802322010 /nfs/dbraw/zinc/32/20/10/802322010.db2.gz FQXONFKGOMSQKG-CHWSQXEVSA-N 2 2 297.399 -0.720 20 0 CBADLP C[N@H+]1CC[C@H](CC(=O)N[C@H]2COC3(C[NH+](CCO)C3)C2)C1 ZINC001053982183 802322017 /nfs/dbraw/zinc/32/20/17/802322017.db2.gz FQXONFKGOMSQKG-CHWSQXEVSA-N 2 2 297.399 -0.720 20 0 CBADLP C[C@H](O)C[NH+]1CC2(C1)C[C@@H](NC(=O)C[NH+]1CCCC1)CO2 ZINC001054009340 802323362 /nfs/dbraw/zinc/32/33/62/802323362.db2.gz UPNIPAJGXLAPFM-QWHCGFSZSA-N 2 2 297.399 -0.578 20 0 CBADLP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1[NH2+]CCO ZINC001054716951 802367254 /nfs/dbraw/zinc/36/72/54/802367254.db2.gz AEZNCGBJLBLFAA-PWSUYJOCSA-N 2 2 266.345 -0.229 20 0 CBADLP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1[NH2+]CCO ZINC001054716951 802367259 /nfs/dbraw/zinc/36/72/59/802367259.db2.gz AEZNCGBJLBLFAA-PWSUYJOCSA-N 2 2 266.345 -0.229 20 0 CBADLP CC(=O)NCC[NH+]1CCC(NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001055480288 802396011 /nfs/dbraw/zinc/39/60/11/802396011.db2.gz UONHVKNULFNBRM-UHFFFAOYSA-N 2 2 293.371 -0.331 20 0 CBADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001122173526 813128008 /nfs/dbraw/zinc/12/80/08/813128008.db2.gz JUYDYLDCPAFVEH-WUHRBBMRSA-N 2 2 267.373 -0.321 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C1(C)C[NH2+]C1 ZINC001122526394 813173688 /nfs/dbraw/zinc/17/36/88/813173688.db2.gz URJLGXZZIRVJHB-LLVKDONJSA-N 2 2 255.362 -0.225 20 0 CBADLP CO[C@H](C)c1noc(C[NH2+]CCNC(=O)CC[NH+](C)C)n1 ZINC001133294444 814237725 /nfs/dbraw/zinc/23/77/25/814237725.db2.gz JEPGSFXHUXRUDC-SNVBAGLBSA-N 2 2 299.375 -0.066 20 0 CBADLP CC[C@@H](C(=O)NCC[NH2+]Cc1nnnn1C(C)C)[NH+](C)C ZINC001133982766 814333316 /nfs/dbraw/zinc/33/33/16/814333316.db2.gz LKAJZSOWMAFJHT-NSHDSACASA-N 2 2 297.407 -0.200 20 0 CBADLP O=C(C[N@@H+]1CCc2sccc2C1)NCC[NH2+]CCO ZINC001142223995 814703746 /nfs/dbraw/zinc/70/37/46/814703746.db2.gz UOEZEPKXEDVXFG-UHFFFAOYSA-N 2 2 283.397 -0.196 20 0 CBADLP O=C(C[N@H+]1CCc2sccc2C1)NCC[NH2+]CCO ZINC001142223995 814703752 /nfs/dbraw/zinc/70/37/52/814703752.db2.gz UOEZEPKXEDVXFG-UHFFFAOYSA-N 2 2 283.397 -0.196 20 0 CBADLP CCC[N@H+](C)CC(=O)NCC[NH2+]CCS(C)(=O)=O ZINC001148638142 814953768 /nfs/dbraw/zinc/95/37/68/814953768.db2.gz FGQMBTFLOISGCU-UHFFFAOYSA-N 2 2 279.406 -0.921 20 0 CBADLP CCC[N@@H+](C)CC(=O)NCC[NH2+]CCS(C)(=O)=O ZINC001148638142 814953773 /nfs/dbraw/zinc/95/37/73/814953773.db2.gz FGQMBTFLOISGCU-UHFFFAOYSA-N 2 2 279.406 -0.921 20 0 CBADLP C[C@H](C[NH2+]CCS(C)(=O)=O)NC(=O)Cc1c[nH]c[nH+]1 ZINC001321660647 803798183 /nfs/dbraw/zinc/79/81/83/803798183.db2.gz FAKAYHBUDXQEOV-SECBINFHSA-N 2 2 288.373 -0.909 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+]CCn1cncn1 ZINC001149131445 814970721 /nfs/dbraw/zinc/97/07/21/814970721.db2.gz YWKCIOVMLDOJAG-UHFFFAOYSA-N 2 2 277.332 -0.742 20 0 CBADLP C[C@@H](C[NH2+]CCn1cncn1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001322001984 803848969 /nfs/dbraw/zinc/84/89/69/803848969.db2.gz GSCPXSIERHKJNL-JTQLQIEISA-N 2 2 277.332 -0.662 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+]Cc1cnn(C)c1 ZINC001149129505 814970891 /nfs/dbraw/zinc/97/08/91/814970891.db2.gz FATJEHSNBJRFLU-UHFFFAOYSA-N 2 2 276.344 -0.100 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+]CCc1cnn(C)c1 ZINC001149123659 814971613 /nfs/dbraw/zinc/97/16/13/814971613.db2.gz NBRMATMQJOISMS-UHFFFAOYSA-N 2 2 290.371 -0.057 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+]CCNC(=O)C1CC1 ZINC001149122927 814971185 /nfs/dbraw/zinc/97/11/85/814971185.db2.gz DYUPNVYNUQRQCZ-UHFFFAOYSA-N 2 2 293.371 -0.507 20 0 CBADLP CCN1CC[C@@H]([NH2+]CCNC(=O)Cc2[nH]c[nH+]c2C)C1=O ZINC001149124015 814971213 /nfs/dbraw/zinc/97/12/13/814971213.db2.gz OEZNRWVCJXMGQS-LLVKDONJSA-N 2 2 293.371 -0.413 20 0 CBADLP C[C@@H](O)C[NH2+]C[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001322059429 803856620 /nfs/dbraw/zinc/85/66/20/803856620.db2.gz GZLBCGIVDXCRGY-WDEREUQCSA-N 2 2 268.361 -0.172 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+][C@H]1CCCNC1=O ZINC001149124164 814971314 /nfs/dbraw/zinc/97/13/14/814971314.db2.gz RNRUKGCZRKGRIW-JTQLQIEISA-N 2 2 279.344 -0.755 20 0 CBADLP CC[C@H]([NH2+]CCNC(=O)Cc1[nH]c[nH+]c1C)C(N)=O ZINC001149130459 814971348 /nfs/dbraw/zinc/97/13/48/814971348.db2.gz OUFCZJZETULVRA-VIFPVBQESA-N 2 2 267.333 -0.770 20 0 CBADLP CC[C@H](C)NC(=O)C[NH2+]CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001149122833 814971726 /nfs/dbraw/zinc/97/17/26/814971726.db2.gz CIBZVKGJHDMUMT-JTQLQIEISA-N 2 2 295.387 -0.119 20 0 CBADLP CON(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001322993287 803964031 /nfs/dbraw/zinc/96/40/31/803964031.db2.gz KWSUCEUWFRTADR-LLVKDONJSA-N 2 2 298.387 -0.709 20 0 CBADLP CON(C)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001322993287 803964038 /nfs/dbraw/zinc/96/40/38/803964038.db2.gz KWSUCEUWFRTADR-LLVKDONJSA-N 2 2 298.387 -0.709 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@H](C[NH2+]CCCO)C1CC1 ZINC001323127125 803979881 /nfs/dbraw/zinc/97/98/81/803979881.db2.gz VLIBRWRSLIMTKR-GFCCVEGCSA-N 2 2 266.345 -0.250 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CC[N@H+]1C[C@@H](C)O ZINC001323340059 804011960 /nfs/dbraw/zinc/01/19/60/804011960.db2.gz LAKCYKSMDHMLQB-MWLCHTKSSA-N 2 2 266.345 -0.168 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CC[N@@H+]1C[C@@H](C)O ZINC001323340059 804011965 /nfs/dbraw/zinc/01/19/65/804011965.db2.gz LAKCYKSMDHMLQB-MWLCHTKSSA-N 2 2 266.345 -0.168 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC[C@H]1CC[N@@H+]1CCOCCO ZINC001323358693 804014914 /nfs/dbraw/zinc/01/49/14/804014914.db2.gz WNKJQYXHUQHNAH-CYBMUJFWSA-N 2 2 296.371 -0.609 20 0 CBADLP C[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)CC1 ZINC001160456906 815624832 /nfs/dbraw/zinc/62/48/32/815624832.db2.gz TXILBIAOVVBKPB-RWMBFGLXSA-N 3 2 266.389 -0.606 20 0 CBADLP COCC[NH2+]CCNC(=O)CCc1c[nH+]cn1C ZINC001149564820 815000729 /nfs/dbraw/zinc/00/07/29/815000729.db2.gz KYIYRDCDIXXQSA-UHFFFAOYSA-N 2 2 254.334 -0.295 20 0 CBADLP CCOCCC[NH+]1CC(O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001325307988 804274839 /nfs/dbraw/zinc/27/48/39/804274839.db2.gz KMHUFUQLJTZSMI-UHFFFAOYSA-N 2 2 299.415 -0.328 20 0 CBADLP O=C(CCn1cc[nH+]c1)NC[C@H]1C[N@H+](CCO)CCCO1 ZINC001150054441 815015528 /nfs/dbraw/zinc/01/55/28/815015528.db2.gz ULBQQZSECKCANB-ZDUSSCGKSA-N 2 2 296.371 -0.527 20 0 CBADLP O=C(CCn1cc[nH+]c1)NC[C@H]1C[N@@H+](CCO)CCCO1 ZINC001150054441 815015533 /nfs/dbraw/zinc/01/55/33/815015533.db2.gz ULBQQZSECKCANB-ZDUSSCGKSA-N 2 2 296.371 -0.527 20 0 CBADLP C[C@H](O)C[N@@H+]1CCCO[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001150507795 815034378 /nfs/dbraw/zinc/03/43/78/815034378.db2.gz KIGYBWANYMTTAC-RYUDHWBXSA-N 2 2 296.371 -0.460 20 0 CBADLP C[C@H](O)C[N@H+]1CCCO[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001150507795 815034383 /nfs/dbraw/zinc/03/43/83/815034383.db2.gz KIGYBWANYMTTAC-RYUDHWBXSA-N 2 2 296.371 -0.460 20 0 CBADLP Cc1cc(CN(C)C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)n(C)n1 ZINC001160475092 815626593 /nfs/dbraw/zinc/62/65/93/815626593.db2.gz NGAXLZBYCDYYGP-KOLCDFICSA-N 2 2 251.334 -0.624 20 0 CBADLP COCC[N@@H+]1CCCO[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001150825275 815045479 /nfs/dbraw/zinc/04/54/79/815045479.db2.gz QWBNVLMCFFRIOM-ZDUSSCGKSA-N 2 2 296.371 -0.263 20 0 CBADLP COCC[N@H+]1CCCO[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001150825275 815045488 /nfs/dbraw/zinc/04/54/88/815045488.db2.gz QWBNVLMCFFRIOM-ZDUSSCGKSA-N 2 2 296.371 -0.263 20 0 CBADLP CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001069902550 805163613 /nfs/dbraw/zinc/16/36/13/805163613.db2.gz CLZXSJUYKJUPHF-AGIUHOORSA-N 2 2 292.387 -0.266 20 0 CBADLP CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001069902550 805163625 /nfs/dbraw/zinc/16/36/25/805163625.db2.gz CLZXSJUYKJUPHF-AGIUHOORSA-N 2 2 292.387 -0.266 20 0 CBADLP CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)[C@@H](n2ccnn2)C1 ZINC001069902550 805163630 /nfs/dbraw/zinc/16/36/30/805163630.db2.gz CLZXSJUYKJUPHF-AGIUHOORSA-N 2 2 292.387 -0.266 20 0 CBADLP CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)[C@@H](n2ccnn2)C1 ZINC001069902550 805163635 /nfs/dbraw/zinc/16/36/35/805163635.db2.gz CLZXSJUYKJUPHF-AGIUHOORSA-N 2 2 292.387 -0.266 20 0 CBADLP CC[C@H](C(=O)N1CCC(=O)NCC[N@@H+](CC)CC1)[NH+](C)C ZINC001070973329 805206309 /nfs/dbraw/zinc/20/63/09/805206309.db2.gz LDUHDCZNLSVEQX-CYBMUJFWSA-N 2 2 298.431 -0.003 20 0 CBADLP CC[C@H](C(=O)N1CCC(=O)NCC[N@H+](CC)CC1)[NH+](C)C ZINC001070973329 805206313 /nfs/dbraw/zinc/20/63/13/805206313.db2.gz LDUHDCZNLSVEQX-CYBMUJFWSA-N 2 2 298.431 -0.003 20 0 CBADLP C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]Cc2nncs2)C1 ZINC001151066666 815058038 /nfs/dbraw/zinc/05/80/38/815058038.db2.gz XCZBFUNARDTFFR-VIFPVBQESA-N 2 2 269.374 -0.304 20 0 CBADLP C[N@H+]1CC[C@H](C(=O)NCC[NH2+]Cc2nncs2)C1 ZINC001151066666 815058043 /nfs/dbraw/zinc/05/80/43/815058043.db2.gz XCZBFUNARDTFFR-VIFPVBQESA-N 2 2 269.374 -0.304 20 0 CBADLP C[C@H]([NH2+]CCNC(=O)C[NH+]1CCCC1)c1nnnn1C ZINC001151096449 815060993 /nfs/dbraw/zinc/06/09/93/815060993.db2.gz ACCIJBSIFUFTPS-JTQLQIEISA-N 2 2 281.364 -0.927 20 0 CBADLP C[C@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C[N@@H+]1CC(N)=O ZINC001071796947 805265546 /nfs/dbraw/zinc/26/55/46/805265546.db2.gz ZVYOFZLYGWKRTE-AAEUAGOBSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C[N@H+]1CC(N)=O ZINC001071796947 805265555 /nfs/dbraw/zinc/26/55/55/805265555.db2.gz ZVYOFZLYGWKRTE-AAEUAGOBSA-N 2 2 296.415 -0.217 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[C@H](C)[N@@H+](CC(N)=O)C1 ZINC001072084744 805286721 /nfs/dbraw/zinc/28/67/21/805286721.db2.gz IERGTNUUOHIEJY-JQWIXIFHSA-N 2 2 293.371 -0.354 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[C@H](C)[N@H+](CC(N)=O)C1 ZINC001072084744 805286730 /nfs/dbraw/zinc/28/67/30/805286730.db2.gz IERGTNUUOHIEJY-JQWIXIFHSA-N 2 2 293.371 -0.354 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC(N)=O)C1 ZINC001072084745 805287730 /nfs/dbraw/zinc/28/77/30/805287730.db2.gz IERGTNUUOHIEJY-PWSUYJOCSA-N 2 2 293.371 -0.354 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC(N)=O)C1 ZINC001072084745 805287737 /nfs/dbraw/zinc/28/77/37/805287737.db2.gz IERGTNUUOHIEJY-PWSUYJOCSA-N 2 2 293.371 -0.354 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NCC[NH2+]Cc1ncnn1C ZINC001151147519 815063885 /nfs/dbraw/zinc/06/38/85/815063885.db2.gz QBKJQDSVQQDFOV-UHFFFAOYSA-N 2 2 277.332 -0.774 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NCC[NH2+]Cc1nncn1C ZINC001151147614 815065702 /nfs/dbraw/zinc/06/57/02/815065702.db2.gz SMTSMVVSBLGQKM-UHFFFAOYSA-N 2 2 277.332 -0.774 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]Cc1ccon1 ZINC001151156406 815066265 /nfs/dbraw/zinc/06/62/65/815066265.db2.gz BQACBODDEXCCFM-GFCCVEGCSA-N 2 2 296.371 -0.151 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CC2(C1)CC[N@@H+](CCO)C2 ZINC001073016349 805355535 /nfs/dbraw/zinc/35/55/35/805355535.db2.gz UXDMETKLESFNRB-UHFFFAOYSA-N 2 2 264.329 -0.521 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CC2(C1)CC[N@H+](CCO)C2 ZINC001073016349 805355542 /nfs/dbraw/zinc/35/55/42/805355542.db2.gz UXDMETKLESFNRB-UHFFFAOYSA-N 2 2 264.329 -0.521 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N1CC2(C1)CC[N@@H+](CCO)C2 ZINC001073081058 805359939 /nfs/dbraw/zinc/35/99/39/805359939.db2.gz UQTRPRLATAJRSZ-UHFFFAOYSA-N 2 2 264.329 -0.521 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N1CC2(C1)CC[N@H+](CCO)C2 ZINC001073081058 805359950 /nfs/dbraw/zinc/35/99/50/805359950.db2.gz UQTRPRLATAJRSZ-UHFFFAOYSA-N 2 2 264.329 -0.521 20 0 CBADLP CC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)[C@H]1C ZINC001074581908 805459293 /nfs/dbraw/zinc/45/92/93/805459293.db2.gz XMUNLKXNFUFKRO-SDDRHHMPSA-N 2 2 255.362 -0.084 20 0 CBADLP CC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)[C@H]1C ZINC001074581908 805459310 /nfs/dbraw/zinc/45/93/10/805459310.db2.gz XMUNLKXNFUFKRO-SDDRHHMPSA-N 2 2 255.362 -0.084 20 0 CBADLP C[C@H]1[C@@H]([NH2+]CCF)CCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001074581631 805459925 /nfs/dbraw/zinc/45/99/25/805459925.db2.gz HQIAXZAINHXHNT-SRVKXCTJSA-N 2 2 273.352 -0.135 20 0 CBADLP C[C@H]1[C@@H]([NH2+]CCF)CCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001074581631 805459928 /nfs/dbraw/zinc/45/99/28/805459928.db2.gz HQIAXZAINHXHNT-SRVKXCTJSA-N 2 2 273.352 -0.135 20 0 CBADLP C[C@H]([NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H]1C)C(N)=O ZINC001074918307 805477444 /nfs/dbraw/zinc/47/74/44/805477444.db2.gz BIIBLIOYVNHBOL-QXEWZRGKSA-N 2 2 279.344 -0.595 20 0 CBADLP C[C@@H](O)C[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@H]1C ZINC001074996440 805480282 /nfs/dbraw/zinc/48/02/82/805480282.db2.gz WSTJFOJCQVNIHN-VWYCJHECSA-N 2 2 266.345 -0.088 20 0 CBADLP C[C@@H](O)C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@H]1C ZINC001075144689 805484363 /nfs/dbraw/zinc/48/43/63/805484363.db2.gz JVFSDABLMLENFU-WOPDTQHZSA-N 2 2 266.345 -0.157 20 0 CBADLP C[C@H]([NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@H]1C)C(N)=O ZINC001075144773 805484752 /nfs/dbraw/zinc/48/47/52/805484752.db2.gz QTQRLJHRRSNTEC-DCAQKATOSA-N 2 2 279.344 -0.664 20 0 CBADLP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H]3C[NH+](CC(N)=O)C[C@H]32)C1 ZINC001076242741 805562631 /nfs/dbraw/zinc/56/26/31/805562631.db2.gz PXBQRUUVGKQJTK-FRRDWIJNSA-N 2 2 294.399 -0.654 20 0 CBADLP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H]3C[NH+](CC(N)=O)C[C@H]32)C1 ZINC001076242741 805562637 /nfs/dbraw/zinc/56/26/37/805562637.db2.gz PXBQRUUVGKQJTK-FRRDWIJNSA-N 2 2 294.399 -0.654 20 0 CBADLP C[C@@H]1CC[NH+](CC(=O)N2CC[C@H]3C[N@H+](CC(N)=O)C[C@H]32)C1 ZINC001076242741 805562641 /nfs/dbraw/zinc/56/26/41/805562641.db2.gz PXBQRUUVGKQJTK-FRRDWIJNSA-N 2 2 294.399 -0.654 20 0 CBADLP C[C@@H]1CC[NH+](CC(=O)N2CC[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)C1 ZINC001076242741 805562646 /nfs/dbraw/zinc/56/26/46/805562646.db2.gz PXBQRUUVGKQJTK-FRRDWIJNSA-N 2 2 294.399 -0.654 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2cnc(C)o2)C1 ZINC001151738309 815088954 /nfs/dbraw/zinc/08/89/54/815088954.db2.gz HOXGLEOFCOJNHH-ZDUSSCGKSA-N 2 2 296.371 -0.090 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2cnc(C)o2)C1 ZINC001151738309 815088961 /nfs/dbraw/zinc/08/89/61/815088961.db2.gz HOXGLEOFCOJNHH-ZDUSSCGKSA-N 2 2 296.371 -0.090 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2cnns2)C1 ZINC001151739811 815089842 /nfs/dbraw/zinc/08/98/42/815089842.db2.gz NRKWKEIJWNTRMV-LLVKDONJSA-N 2 2 299.400 -0.535 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2cnns2)C1 ZINC001151739811 815089852 /nfs/dbraw/zinc/08/98/52/815089852.db2.gz NRKWKEIJWNTRMV-LLVKDONJSA-N 2 2 299.400 -0.535 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2nonc2C)C1 ZINC001151749417 815091463 /nfs/dbraw/zinc/09/14/63/815091463.db2.gz XSIVPWDPDBEPJK-LBPRGKRZSA-N 2 2 297.359 -0.695 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2nonc2C)C1 ZINC001151749417 815091470 /nfs/dbraw/zinc/09/14/70/815091470.db2.gz XSIVPWDPDBEPJK-LBPRGKRZSA-N 2 2 297.359 -0.695 20 0 CBADLP CC[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+]1CCOCC1 ZINC001151815453 815094691 /nfs/dbraw/zinc/09/46/91/815094691.db2.gz WAHWFRJHTXVXCF-GFCCVEGCSA-N 2 2 255.362 -0.177 20 0 CBADLP C[C@@H](O)C[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+]1CCOCC1 ZINC001151814516 815095360 /nfs/dbraw/zinc/09/53/60/815095360.db2.gz HQLQEUOCZMDBBY-DGCLKSJQSA-N 2 2 285.388 -0.816 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NCC[NH2+]Cc1nc(N(C)C)no1 ZINC001152439792 815121928 /nfs/dbraw/zinc/12/19/28/815121928.db2.gz RFNKZRHBPARQRS-UHFFFAOYSA-N 2 2 298.391 -0.318 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NCC[NH2+]Cc1nc(N(C)C)no1 ZINC001152439792 815121933 /nfs/dbraw/zinc/12/19/33/815121933.db2.gz RFNKZRHBPARQRS-UHFFFAOYSA-N 2 2 298.391 -0.318 20 0 CBADLP C[NH+](C)[C@H](C(=O)NCC[NH2+]CCCO)c1cccnc1 ZINC001152618175 815131695 /nfs/dbraw/zinc/13/16/95/815131695.db2.gz JVTHRZHCVUUQED-ZDUSSCGKSA-N 2 2 280.372 -0.228 20 0 CBADLP CNC(=O)C[NH2+]CCNC(=O)CCCn1cc[nH+]c1 ZINC001153339111 815159109 /nfs/dbraw/zinc/15/91/09/815159109.db2.gz GPNZXTVZIWVRCP-UHFFFAOYSA-N 2 2 267.333 -0.885 20 0 CBADLP CC(C)NC(=O)C[NH2+]CCNC(=O)CCCn1cc[nH+]c1 ZINC001153345366 815159826 /nfs/dbraw/zinc/15/98/26/815159826.db2.gz SLAUOJNOSBFZNV-UHFFFAOYSA-N 2 2 295.387 -0.106 20 0 CBADLP O=C(CCCn1cc[nH+]c1)NCC[NH2+][C@@H]1CCCNC1=O ZINC001153344729 815159974 /nfs/dbraw/zinc/15/99/74/815159974.db2.gz JAZYBRFMKJFKCX-GFCCVEGCSA-N 2 2 293.371 -0.352 20 0 CBADLP CC(C)[C@@H](C)NC(=O)C[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153487558 815163299 /nfs/dbraw/zinc/16/32/99/815163299.db2.gz DJZUWLNGJSUWRI-GFCCVEGCSA-N 2 2 295.387 -0.250 20 0 CBADLP C[C@H](NC(=O)C[NH2+]CCNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001153500540 815164059 /nfs/dbraw/zinc/16/40/59/815164059.db2.gz OIRHVTGVWLYBPF-NSHDSACASA-N 2 2 293.371 -0.496 20 0 CBADLP Cc1nn(C)cc1C[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153487975 815164255 /nfs/dbraw/zinc/16/42/55/815164255.db2.gz XGMNDQFFRSJSLI-UHFFFAOYSA-N 2 2 276.344 -0.169 20 0 CBADLP C[C@H]([NH2+]CCNC(=O)Cn1cc[nH+]c1)C(=O)NC1CC1 ZINC001153500080 815164424 /nfs/dbraw/zinc/16/44/24/815164424.db2.gz FAWPZHQTHBRUEK-JTQLQIEISA-N 2 2 279.344 -0.744 20 0 CBADLP O=C(Cn1cc[nH+]c1)NCC[NH2+]C[C@@H]1CCOC1 ZINC001153500786 815164504 /nfs/dbraw/zinc/16/45/04/815164504.db2.gz UGFWZKMVKPGMEG-NSHDSACASA-N 2 2 252.318 -0.375 20 0 CBADLP O=C(Cn1cc[nH+]c1)NCC[NH2+]CCOCC(F)F ZINC001153496135 815164850 /nfs/dbraw/zinc/16/48/50/815164850.db2.gz SMRQSANPAWAWHO-UHFFFAOYSA-N 2 2 276.287 -0.129 20 0 CBADLP C[C@@H](NC(=O)C[NH2+]CCNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001153500539 815164993 /nfs/dbraw/zinc/16/49/93/815164993.db2.gz OIRHVTGVWLYBPF-LLVKDONJSA-N 2 2 293.371 -0.496 20 0 CBADLP CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153500878 815165044 /nfs/dbraw/zinc/16/50/44/815165044.db2.gz XZDDRUWVZMUMDG-VXGBXAGGSA-N 2 2 295.387 -0.108 20 0 CBADLP C[N@@H+]1CCO[C@H](CNc2cc(C3C[NH2+]C3)ncn2)C1 ZINC001155201514 815269251 /nfs/dbraw/zinc/26/92/51/815269251.db2.gz GLJKCIWRKUAYRM-LLVKDONJSA-N 2 2 263.345 -0.094 20 0 CBADLP C[N@H+]1CCO[C@H](CNc2cc(C3C[NH2+]C3)ncn2)C1 ZINC001155201514 815269254 /nfs/dbraw/zinc/26/92/54/815269254.db2.gz GLJKCIWRKUAYRM-LLVKDONJSA-N 2 2 263.345 -0.094 20 0 CBADLP CC[N@H+](C[C@@H](O)COC)[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001155470256 815285729 /nfs/dbraw/zinc/28/57/29/815285729.db2.gz OWSLTCRFSMYULJ-DGCLKSJQSA-N 2 2 298.387 -0.214 20 0 CBADLP CC[N@@H+](C[C@@H](O)COC)[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001155470256 815285735 /nfs/dbraw/zinc/28/57/35/815285735.db2.gz OWSLTCRFSMYULJ-DGCLKSJQSA-N 2 2 298.387 -0.214 20 0 CBADLP c1nc(N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)cc(N2CCOCC2)[nH+]1 ZINC001155503202 815288671 /nfs/dbraw/zinc/28/86/71/815288671.db2.gz XHOAVBPNZAOVBI-IJLUTSLNSA-N 2 2 291.355 -0.288 20 0 CBADLP CN(C)c1cc(N[C@]23CC[NH2+][C@@H]2CC(=O)N3)nc[nH+]1 ZINC001155568939 815292434 /nfs/dbraw/zinc/29/24/34/815292434.db2.gz CEDFFXXIFZPJQD-PELKAZGASA-N 2 2 262.317 -0.467 20 0 CBADLP Cc1cnc(C[NH2+]CCCNC(=O)[C@H]2C[N@H+](C)CCO2)o1 ZINC001156144829 815339902 /nfs/dbraw/zinc/33/99/02/815339902.db2.gz GOJPMEWYMZNMPB-GFCCVEGCSA-N 2 2 296.371 -0.090 20 0 CBADLP Cc1cnc(C[NH2+]CCCNC(=O)[C@H]2C[N@@H+](C)CCO2)o1 ZINC001156144829 815339909 /nfs/dbraw/zinc/33/99/09/815339909.db2.gz GOJPMEWYMZNMPB-GFCCVEGCSA-N 2 2 296.371 -0.090 20 0 CBADLP Cc1nonc1C[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001156144162 815340403 /nfs/dbraw/zinc/34/04/03/815340403.db2.gz ANIWIZQZMVUQEI-LBPRGKRZSA-N 2 2 297.359 -0.695 20 0 CBADLP Cc1nonc1C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001156144162 815340410 /nfs/dbraw/zinc/34/04/10/815340410.db2.gz ANIWIZQZMVUQEI-LBPRGKRZSA-N 2 2 297.359 -0.695 20 0 CBADLP Cc1cc(C[NH2+]CCCNC(=O)[C@@H]2C[N@H+](C)CCO2)no1 ZINC001156145093 815340471 /nfs/dbraw/zinc/34/04/71/815340471.db2.gz HVXGMVWYOPRXQD-ZDUSSCGKSA-N 2 2 296.371 -0.090 20 0 CBADLP Cc1cc(C[NH2+]CCCNC(=O)[C@@H]2C[N@@H+](C)CCO2)no1 ZINC001156145093 815340477 /nfs/dbraw/zinc/34/04/77/815340477.db2.gz HVXGMVWYOPRXQD-ZDUSSCGKSA-N 2 2 296.371 -0.090 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]Cc2cnsn2)C1 ZINC001156144171 815341309 /nfs/dbraw/zinc/34/13/09/815341309.db2.gz ATUFDTDUOQPPMA-LLVKDONJSA-N 2 2 299.400 -0.535 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]Cc2cnsn2)C1 ZINC001156144171 815341316 /nfs/dbraw/zinc/34/13/16/815341316.db2.gz ATUFDTDUOQPPMA-LLVKDONJSA-N 2 2 299.400 -0.535 20 0 CBADLP NC(=O)[C@@H]1CCCN1c1cc(N2CC[C@@H]([NH3+])C2)nc[nH+]1 ZINC001156232738 815348256 /nfs/dbraw/zinc/34/82/56/815348256.db2.gz ISPKLYQRFUUGRW-ZJUUUORDSA-N 2 2 276.344 -0.532 20 0 CBADLP COC(=O)[C@@H]1C[C@H](Nc2ncnc3c2CC[NH2+]C3)C[NH2+]1 ZINC001156242559 815350056 /nfs/dbraw/zinc/35/00/56/815350056.db2.gz JNAHKRABWJBHQA-WPRPVWTQSA-N 2 2 277.328 -0.562 20 0 CBADLP COC(=O)[C@@H]1C[C@H](Nc2ncc3c(n2)CC[NH2+]C3)C[NH2+]1 ZINC001156243462 815350897 /nfs/dbraw/zinc/35/08/97/815350897.db2.gz VCTNETFJQKVLSK-ONGXEEELSA-N 2 2 277.328 -0.562 20 0 CBADLP NC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001086392374 810267184 /nfs/dbraw/zinc/26/71/84/810267184.db2.gz KSCFUUKGGBVKKL-GWOFURMSSA-N 2 2 291.355 -0.517 20 0 CBADLP NC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001086392374 810267188 /nfs/dbraw/zinc/26/71/88/810267188.db2.gz KSCFUUKGGBVKKL-GWOFURMSSA-N 2 2 291.355 -0.517 20 0 CBADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC[N@@H+]1CC(=O)NC ZINC001087519281 810293623 /nfs/dbraw/zinc/29/36/23/810293623.db2.gz IDOAXBGQKCTYPI-XQQFMLRXSA-N 2 2 296.415 -0.204 20 0 CBADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC[N@H+]1CC(=O)NC ZINC001087519281 810293627 /nfs/dbraw/zinc/29/36/27/810293627.db2.gz IDOAXBGQKCTYPI-XQQFMLRXSA-N 2 2 296.415 -0.204 20 0 CBADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC[NH+]1CC(=O)NC ZINC001087519281 810293632 /nfs/dbraw/zinc/29/36/32/810293632.db2.gz IDOAXBGQKCTYPI-XQQFMLRXSA-N 2 2 296.415 -0.204 20 0 CBADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC[NH+]1CC(=O)NC ZINC001087519281 810293639 /nfs/dbraw/zinc/29/36/39/810293639.db2.gz IDOAXBGQKCTYPI-XQQFMLRXSA-N 2 2 296.415 -0.204 20 0 CBADLP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC[N@@H+]1CC(N)=O ZINC001087725105 810304397 /nfs/dbraw/zinc/30/43/97/810304397.db2.gz BYEWCLPWTAZGAA-RWMBFGLXSA-N 2 2 296.415 -0.075 20 0 CBADLP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC[N@H+]1CC(N)=O ZINC001087725105 810304406 /nfs/dbraw/zinc/30/44/06/810304406.db2.gz BYEWCLPWTAZGAA-RWMBFGLXSA-N 2 2 296.415 -0.075 20 0 CBADLP CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)CC[NH+]1CC(N)=O ZINC001087725105 810304413 /nfs/dbraw/zinc/30/44/13/810304413.db2.gz BYEWCLPWTAZGAA-RWMBFGLXSA-N 2 2 296.415 -0.075 20 0 CBADLP CC[C@@H]1[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)CC[NH+]1CC(N)=O ZINC001087725105 810304423 /nfs/dbraw/zinc/30/44/23/810304423.db2.gz BYEWCLPWTAZGAA-RWMBFGLXSA-N 2 2 296.415 -0.075 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]2C[N@H+](CCO)CC[C@@H]2C1 ZINC001088151703 810323321 /nfs/dbraw/zinc/32/33/21/810323321.db2.gz PXKXORFMLXFFPE-NEPJUHHUSA-N 2 2 278.356 -0.275 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]2C[N@@H+](CCO)CC[C@@H]2C1 ZINC001088151703 810323329 /nfs/dbraw/zinc/32/33/29/810323329.db2.gz PXKXORFMLXFFPE-NEPJUHHUSA-N 2 2 278.356 -0.275 20 0 CBADLP NC(=O)C[NH2+][C@@H]1CCCCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001088390269 810327518 /nfs/dbraw/zinc/32/75/18/810327518.db2.gz JTXUNWYJUGZLBM-LLVKDONJSA-N 2 2 293.371 -0.202 20 0 CBADLP NC(=O)C[NH2+][C@@H]1CCCCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001088405413 810328990 /nfs/dbraw/zinc/32/89/90/810328990.db2.gz WVZDOUOAIDGRMV-LLVKDONJSA-N 2 2 293.371 -0.202 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC[N@@H+]1CC(N)=O ZINC001088494585 810334477 /nfs/dbraw/zinc/33/44/77/810334477.db2.gz GKDTYYHSVWZVTB-VWYCJHECSA-N 2 2 268.361 -0.855 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC[N@H+]1CC(N)=O ZINC001088494585 810334483 /nfs/dbraw/zinc/33/44/83/810334483.db2.gz GKDTYYHSVWZVTB-VWYCJHECSA-N 2 2 268.361 -0.855 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC[NH+]1CC(N)=O ZINC001088494585 810334487 /nfs/dbraw/zinc/33/44/87/810334487.db2.gz GKDTYYHSVWZVTB-VWYCJHECSA-N 2 2 268.361 -0.855 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC[NH+]1CC(N)=O ZINC001088494585 810334493 /nfs/dbraw/zinc/33/44/93/810334493.db2.gz GKDTYYHSVWZVTB-VWYCJHECSA-N 2 2 268.361 -0.855 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@@H+]1CC(N)=O ZINC001088835742 810361384 /nfs/dbraw/zinc/36/13/84/810361384.db2.gz MBZQCVZLGQNHOL-PWSUYJOCSA-N 2 2 282.388 -0.608 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@H+]1CC(N)=O ZINC001088835742 810361392 /nfs/dbraw/zinc/36/13/92/810361392.db2.gz MBZQCVZLGQNHOL-PWSUYJOCSA-N 2 2 282.388 -0.608 20 0 CBADLP COCC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001090678669 810549304 /nfs/dbraw/zinc/54/93/04/810549304.db2.gz IPZSGLVYQDDRLI-MNOVXSKESA-N 2 2 282.344 -0.850 20 0 CBADLP COCC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001090678669 810549309 /nfs/dbraw/zinc/54/93/09/810549309.db2.gz IPZSGLVYQDDRLI-MNOVXSKESA-N 2 2 282.344 -0.850 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[N@H+](CC2CC2)C[C@H]1O ZINC001090725273 810556928 /nfs/dbraw/zinc/55/69/28/810556928.db2.gz AJAGLFKPLLJQGP-UONOGXRCSA-N 2 2 292.383 -0.076 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[N@@H+](CC2CC2)C[C@H]1O ZINC001090725273 810556932 /nfs/dbraw/zinc/55/69/32/810556932.db2.gz AJAGLFKPLLJQGP-UONOGXRCSA-N 2 2 292.383 -0.076 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[N@@H+](CCCF)C[C@H]1O ZINC001090847284 810574789 /nfs/dbraw/zinc/57/47/89/810574789.db2.gz QLKFBWCXYKLOBF-NWDGAFQWSA-N 2 2 284.335 -0.206 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[N@H+](CCCF)C[C@H]1O ZINC001090847284 810574796 /nfs/dbraw/zinc/57/47/96/810574796.db2.gz QLKFBWCXYKLOBF-NWDGAFQWSA-N 2 2 284.335 -0.206 20 0 CBADLP Cc1nc(NCCNC(=O)COCC[NH+](C)C)cc[nH+]1 ZINC001093749702 810680987 /nfs/dbraw/zinc/68/09/87/810680987.db2.gz BMLQGYZIMXNDLV-UHFFFAOYSA-N 2 2 281.360 -0.109 20 0 CBADLP C[NH2+]CCNc1cc(N2CCC[C@@H]2C(N)=O)[nH+]cn1 ZINC001156897598 815388608 /nfs/dbraw/zinc/38/86/08/815388608.db2.gz SXVBEKZZZUFTNW-SECBINFHSA-N 2 2 264.333 -0.438 20 0 CBADLP NC(=O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001095022314 810736539 /nfs/dbraw/zinc/73/65/39/810736539.db2.gz TWRHLTSKPAKUJK-AXFHLTTASA-N 2 2 291.355 -0.593 20 0 CBADLP NC(=O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001095022315 810737002 /nfs/dbraw/zinc/73/70/02/810737002.db2.gz TWRHLTSKPAKUJK-DCAQKATOSA-N 2 2 291.355 -0.593 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCO)C1 ZINC001095268254 810743361 /nfs/dbraw/zinc/74/33/61/810743361.db2.gz XNLHWTKHQLBUOZ-MROQNXINSA-N 2 2 283.372 -0.969 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCO)C1 ZINC001095268254 810743366 /nfs/dbraw/zinc/74/33/66/810743366.db2.gz XNLHWTKHQLBUOZ-MROQNXINSA-N 2 2 283.372 -0.969 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCO)C1 ZINC001095268254 810743372 /nfs/dbraw/zinc/74/33/72/810743372.db2.gz XNLHWTKHQLBUOZ-MROQNXINSA-N 2 2 283.372 -0.969 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCO)C1 ZINC001095268254 810743375 /nfs/dbraw/zinc/74/33/75/810743375.db2.gz XNLHWTKHQLBUOZ-MROQNXINSA-N 2 2 283.372 -0.969 20 0 CBADLP C[C@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(N)=O)C1 ZINC001096015579 810766957 /nfs/dbraw/zinc/76/69/57/810766957.db2.gz LCNMOOCNSLTSFK-RNJOBUHISA-N 2 2 294.399 -0.465 20 0 CBADLP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(N)=O)C1 ZINC001096015579 810766962 /nfs/dbraw/zinc/76/69/62/810766962.db2.gz LCNMOOCNSLTSFK-RNJOBUHISA-N 2 2 294.399 -0.465 20 0 CBADLP C[C@H]1CC[NH+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(N)=O)C1 ZINC001096015579 810766966 /nfs/dbraw/zinc/76/69/66/810766966.db2.gz LCNMOOCNSLTSFK-RNJOBUHISA-N 2 2 294.399 -0.465 20 0 CBADLP C[C@H]1CC[NH+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(N)=O)C1 ZINC001096015579 810766969 /nfs/dbraw/zinc/76/69/69/810766969.db2.gz LCNMOOCNSLTSFK-RNJOBUHISA-N 2 2 294.399 -0.465 20 0 CBADLP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(N)=O)C1 ZINC001096348427 810774950 /nfs/dbraw/zinc/77/49/50/810774950.db2.gz OJJUQXRZIXKFFJ-RNJOBUHISA-N 2 2 294.399 -0.465 20 0 CBADLP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(N)=O)C1 ZINC001096348427 810774957 /nfs/dbraw/zinc/77/49/57/810774957.db2.gz OJJUQXRZIXKFFJ-RNJOBUHISA-N 2 2 294.399 -0.465 20 0 CBADLP C[NH+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(N)=O)C1 ZINC001096348427 810774963 /nfs/dbraw/zinc/77/49/63/810774963.db2.gz OJJUQXRZIXKFFJ-RNJOBUHISA-N 2 2 294.399 -0.465 20 0 CBADLP C[NH+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(N)=O)C1 ZINC001096348427 810774966 /nfs/dbraw/zinc/77/49/66/810774966.db2.gz OJJUQXRZIXKFFJ-RNJOBUHISA-N 2 2 294.399 -0.465 20 0 CBADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(N)=O)C1 ZINC001097853348 810824745 /nfs/dbraw/zinc/82/47/45/810824745.db2.gz LCNMOOCNSLTSFK-LPWJVIDDSA-N 2 2 294.399 -0.465 20 0 CBADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(N)=O)C1 ZINC001097853348 810824754 /nfs/dbraw/zinc/82/47/54/810824754.db2.gz LCNMOOCNSLTSFK-LPWJVIDDSA-N 2 2 294.399 -0.465 20 0 CBADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(N)=O)C1 ZINC001097853348 810824762 /nfs/dbraw/zinc/82/47/62/810824762.db2.gz LCNMOOCNSLTSFK-LPWJVIDDSA-N 2 2 294.399 -0.465 20 0 CBADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(N)=O)C1 ZINC001097853348 810824771 /nfs/dbraw/zinc/82/47/71/810824771.db2.gz LCNMOOCNSLTSFK-LPWJVIDDSA-N 2 2 294.399 -0.465 20 0 CBADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001099810033 810943515 /nfs/dbraw/zinc/94/35/15/810943515.db2.gz NZVCFCKEGRJERP-VXGBXAGGSA-N 2 2 296.371 -0.724 20 0 CBADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001099810033 810943520 /nfs/dbraw/zinc/94/35/20/810943520.db2.gz NZVCFCKEGRJERP-VXGBXAGGSA-N 2 2 296.371 -0.724 20 0 CBADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001099810030 810945049 /nfs/dbraw/zinc/94/50/49/810945049.db2.gz NZVCFCKEGRJERP-NEPJUHHUSA-N 2 2 296.371 -0.724 20 0 CBADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1CC[N@H+](CCCO)C[C@@H]1O ZINC001099810030 810945056 /nfs/dbraw/zinc/94/50/56/810945056.db2.gz NZVCFCKEGRJERP-NEPJUHHUSA-N 2 2 296.371 -0.724 20 0 CBADLP COCC[N@@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001099940674 810972725 /nfs/dbraw/zinc/97/27/25/810972725.db2.gz ZOUZSBZVZPOYIV-OLZOCXBDSA-N 2 2 296.371 -0.529 20 0 CBADLP COCC[N@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001099940674 810972729 /nfs/dbraw/zinc/97/27/29/810972729.db2.gz ZOUZSBZVZPOYIV-OLZOCXBDSA-N 2 2 296.371 -0.529 20 0 CBADLP CCOCC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001100048048 811004816 /nfs/dbraw/zinc/00/48/16/811004816.db2.gz FDGNNCKMGMYWLR-NEPJUHHUSA-N 2 2 296.371 -0.460 20 0 CBADLP CCOCC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001100048048 811004822 /nfs/dbraw/zinc/00/48/22/811004822.db2.gz FDGNNCKMGMYWLR-NEPJUHHUSA-N 2 2 296.371 -0.460 20 0 CBADLP CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)CCCn1cc[nH+]c1 ZINC001157248073 815416163 /nfs/dbraw/zinc/41/61/63/815416163.db2.gz FMQZKVIBZBKGSS-GFCCVEGCSA-N 2 2 295.387 -0.025 20 0 CBADLP CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)CCCn1cc[nH+]c1 ZINC001157248073 815416165 /nfs/dbraw/zinc/41/61/65/815416165.db2.gz FMQZKVIBZBKGSS-GFCCVEGCSA-N 2 2 295.387 -0.025 20 0 CBADLP Cn1nnc(C[NH2+]C2CC(CNC(=O)CC[NH+](C)C)C2)n1 ZINC001100636653 811069277 /nfs/dbraw/zinc/06/92/77/811069277.db2.gz DILGGHSHPSZYKR-UHFFFAOYSA-N 2 2 295.391 -0.854 20 0 CBADLP CC[N@H+](CCOCCO)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001157294229 815419882 /nfs/dbraw/zinc/41/98/82/815419882.db2.gz VBGBVYGZPIEZDE-CYBMUJFWSA-N 2 2 298.387 -0.281 20 0 CBADLP CC[N@@H+](CCOCCO)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001157294229 815419886 /nfs/dbraw/zinc/41/98/86/815419886.db2.gz VBGBVYGZPIEZDE-CYBMUJFWSA-N 2 2 298.387 -0.281 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCC1CC([NH2+]CCO)C1 ZINC001100921188 811085732 /nfs/dbraw/zinc/08/57/32/811085732.db2.gz LZYUQDGGKQJWCU-UHFFFAOYSA-N 2 2 266.345 -0.263 20 0 CBADLP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CCNC(=O)Cn1cc[nH+]c1 ZINC001103778927 811186218 /nfs/dbraw/zinc/18/62/18/811186218.db2.gz DKWQGDHSFRFAHW-VXGBXAGGSA-N 2 2 293.371 -0.557 20 0 CBADLP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CCNC(=O)Cn1cc[nH+]c1 ZINC001103778927 811186225 /nfs/dbraw/zinc/18/62/25/811186225.db2.gz DKWQGDHSFRFAHW-VXGBXAGGSA-N 2 2 293.371 -0.557 20 0 CBADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1CC[NH2+]CCO ZINC001105104758 811212505 /nfs/dbraw/zinc/21/25/05/811212505.db2.gz FIOLNMPPFAQDGF-CHWSQXEVSA-N 2 2 280.372 -0.050 20 0 CBADLP Cn1cc[nH+]c1CCNC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001157422791 815431929 /nfs/dbraw/zinc/43/19/29/815431929.db2.gz OIMYIDDNBDLAKW-BXUZGUMPSA-N 3 2 277.372 -0.722 20 0 CBADLP C[C@H](NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)[C@@H]1CCCO1 ZINC001157423765 815432400 /nfs/dbraw/zinc/43/24/00/815432400.db2.gz PCPUNZWRDOUVHW-NGDQXYMTSA-N 2 2 253.346 -0.380 20 0 CBADLP N=C(NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2)n1nnc2ccccc21 ZINC001157424090 815432488 /nfs/dbraw/zinc/43/24/88/815432488.db2.gz VTSKQSMUOHIRMO-NUPCCRGMSA-N 2 2 299.338 -0.448 20 0 CBADLP C[C@H](NC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C)[C@@H]1CCCO1 ZINC001157423748 815432779 /nfs/dbraw/zinc/43/27/79/815432779.db2.gz ONRASFPCHFFKFY-DLOVCJGASA-N 2 2 266.345 -0.026 20 0 CBADLP N=C(NC(=O)[C@@H]([NH3+])CC[NH3+])n1nnc2ccccc21 ZINC001157423683 815433163 /nfs/dbraw/zinc/43/31/63/815433163.db2.gz NRFYSJCGCJUZIY-ZETCQYMHSA-N 2 2 261.289 -0.994 20 0 CBADLP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N2CC[NH+](C)CC2)COC1(C)C ZINC001157450875 815435763 /nfs/dbraw/zinc/43/57/63/815435763.db2.gz HHTWJJPOTWOHTC-QWRGUYRKSA-N 2 2 298.387 -0.929 20 0 CBADLP Cc1nc(NC[C@@H](O)CNC(=O)CC[NH+](C)C)cc[nH+]1 ZINC001106084916 811294074 /nfs/dbraw/zinc/29/40/74/811294074.db2.gz IGQRTWUSJLXSAZ-LLVKDONJSA-N 2 2 281.360 -0.374 20 0 CBADLP [NH3+][C@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H]1F ZINC001157530815 815442436 /nfs/dbraw/zinc/44/24/36/815442436.db2.gz JMOPMMAPVBMWPL-BBBLOLIVSA-N 2 2 252.293 -0.047 20 0 CBADLP C[NH+](C)[C@H](C(=O)NC[C@]1(C)C[N@H+](CCO)CCO1)C1CC1 ZINC001107998866 811402821 /nfs/dbraw/zinc/40/28/21/811402821.db2.gz UETOZBJRHWHGEY-DZGCQCFKSA-N 2 2 299.415 -0.474 20 0 CBADLP C[NH+](C)[C@H](C(=O)NC[C@]1(C)C[N@@H+](CCO)CCO1)C1CC1 ZINC001107998866 811402826 /nfs/dbraw/zinc/40/28/26/811402826.db2.gz UETOZBJRHWHGEY-DZGCQCFKSA-N 2 2 299.415 -0.474 20 0 CBADLP CC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001108408731 811444979 /nfs/dbraw/zinc/44/49/79/811444979.db2.gz JUZBJCPUXLZJCO-UKRRQHHQSA-N 2 2 299.415 -0.066 20 0 CBADLP CC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001108408731 811444988 /nfs/dbraw/zinc/44/49/88/811444988.db2.gz JUZBJCPUXLZJCO-UKRRQHHQSA-N 2 2 299.415 -0.066 20 0 CBADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@]2(C)C[N@H+](CC)CCO2)C1 ZINC001108408731 811444989 /nfs/dbraw/zinc/44/49/89/811444989.db2.gz JUZBJCPUXLZJCO-UKRRQHHQSA-N 2 2 299.415 -0.066 20 0 CBADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@]2(C)C[N@@H+](CC)CCO2)C1 ZINC001108408731 811444995 /nfs/dbraw/zinc/44/49/95/811444995.db2.gz JUZBJCPUXLZJCO-UKRRQHHQSA-N 2 2 299.415 -0.066 20 0 CBADLP C[C@H](O)C[N@@H+]1CCO[C@](C)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001108399493 811446862 /nfs/dbraw/zinc/44/68/62/811446862.db2.gz QLARFOWAUKPDDB-DZGCQCFKSA-N 2 2 299.415 -0.330 20 0 CBADLP C[C@H](O)C[N@H+]1CCO[C@](C)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001108399493 811446865 /nfs/dbraw/zinc/44/68/65/811446865.db2.gz QLARFOWAUKPDDB-DZGCQCFKSA-N 2 2 299.415 -0.330 20 0 CBADLP CCn1nnc2c1[C@@H](C(=O)N1CC(C)([NH3+])C1)C[NH2+]C2 ZINC001157629857 815449681 /nfs/dbraw/zinc/44/96/81/815449681.db2.gz VXBKZCXKPQAFNX-QMMMGPOBSA-N 2 2 264.333 -0.956 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](C(=O)N2CC(C)([NH3+])C2)CC[NH2+]1 ZINC001157644692 815450507 /nfs/dbraw/zinc/45/05/07/815450507.db2.gz VSZXOARXVOQLSF-IUCAKERBSA-N 2 2 255.318 -0.913 20 0 CBADLP CN(Cc1ncccn1)C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001157682000 815452315 /nfs/dbraw/zinc/45/23/15/815452315.db2.gz QYFGPHPMYVPYII-GARJFASQSA-N 2 2 261.329 -0.615 20 0 CBADLP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC ZINC001110016494 811506818 /nfs/dbraw/zinc/50/68/18/811506818.db2.gz QTWARKKCXDIMAE-AGIUHOORSA-N 2 2 296.415 -0.204 20 0 CBADLP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC ZINC001110016494 811506825 /nfs/dbraw/zinc/50/68/25/811506825.db2.gz QTWARKKCXDIMAE-AGIUHOORSA-N 2 2 296.415 -0.204 20 0 CBADLP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC ZINC001110016494 811506833 /nfs/dbraw/zinc/50/68/33/811506833.db2.gz QTWARKKCXDIMAE-AGIUHOORSA-N 2 2 296.415 -0.204 20 0 CBADLP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC ZINC001110016494 811506838 /nfs/dbraw/zinc/50/68/38/811506838.db2.gz QTWARKKCXDIMAE-AGIUHOORSA-N 2 2 296.415 -0.204 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CC([NH+](C)C)C1 ZINC001157682101 815452948 /nfs/dbraw/zinc/45/29/48/815452948.db2.gz VGZBTCXGUKCHHJ-NSHDSACASA-N 3 2 251.334 -0.938 20 0 CBADLP CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC)[NH+](C)C ZINC001110715386 811530831 /nfs/dbraw/zinc/53/08/31/811530831.db2.gz WZGMUUPFAOVISB-LPWJVIDDSA-N 2 2 296.415 -0.206 20 0 CBADLP CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC)[NH+](C)C ZINC001110715386 811530840 /nfs/dbraw/zinc/53/08/40/811530840.db2.gz WZGMUUPFAOVISB-LPWJVIDDSA-N 2 2 296.415 -0.206 20 0 CBADLP COC(=O)[C@]1(F)CCN(C(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)C1 ZINC001157715264 815455930 /nfs/dbraw/zinc/45/59/30/815455930.db2.gz DCQWLSVXWLRMNS-TVYUQYBPSA-N 2 2 285.319 -0.949 20 0 CBADLP O=C(N1CCOCC(F)(F)C1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001157708558 815455951 /nfs/dbraw/zinc/45/59/51/815455951.db2.gz WAICUUQJJOEQQR-SKDRFNHKSA-N 2 2 275.299 -0.568 20 0 CBADLP COC(=O)[C@]1(F)CCN(C(=O)C2([NH3+])CC[NH2+]CC2)C1 ZINC001157716986 815457314 /nfs/dbraw/zinc/45/73/14/815457314.db2.gz VQNURHLKEZUWAU-NSHDSACASA-N 2 2 273.308 -0.819 20 0 CBADLP O=C(N1C[C@H](F)C[C@H](CO)C1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001157730111 815458125 /nfs/dbraw/zinc/45/81/25/815458125.db2.gz JZDKLMMDRMPKQZ-WGBDABJCSA-N 2 2 271.336 -0.883 20 0 CBADLP [NH3+]C[C@]1(F)CCCN(C(=O)C2([NH3+])CC[NH2+]CC2)CC1 ZINC001157744581 815461669 /nfs/dbraw/zinc/46/16/69/815461669.db2.gz JVFSXPLCFZMRTD-LBPRGKRZSA-N 3 2 272.368 -0.253 20 0 CBADLP CCOCCC[NH+]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001112739802 811592188 /nfs/dbraw/zinc/59/21/88/811592188.db2.gz NRBDKCNSWCPYLO-CQSZACIVSA-N 2 2 299.415 -0.112 20 0 CBADLP CCOCCC[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001112739802 811592189 /nfs/dbraw/zinc/59/21/89/811592189.db2.gz NRBDKCNSWCPYLO-CQSZACIVSA-N 2 2 299.415 -0.112 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1C[C@H](F)C[C@@H](CO)C1 ZINC001157731856 815459526 /nfs/dbraw/zinc/45/95/26/815459526.db2.gz XKTDWIKKICSPAG-FOGDFJRCSA-N 2 2 284.335 -0.531 20 0 CBADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1C[C@H](F)C[C@@H](CO)C1 ZINC001157731852 815459546 /nfs/dbraw/zinc/45/95/46/815459546.db2.gz XJSPUHZRAOJSQC-CSYMLDBXSA-N 2 2 271.336 -0.885 20 0 CBADLP [NH3+]C[C@@]1(F)CCCN(C(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)CC1 ZINC001157730815 815459839 /nfs/dbraw/zinc/45/98/39/815459839.db2.gz PLCHXSABUUALTN-WCQYABFASA-N 3 2 283.351 -0.041 20 0 CBADLP COC[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001113018861 811615634 /nfs/dbraw/zinc/61/56/34/811615634.db2.gz CKUXIKGPWSWGOU-UONOGXRCSA-N 2 2 299.415 -0.378 20 0 CBADLP COC[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001113018861 811615638 /nfs/dbraw/zinc/61/56/38/811615638.db2.gz CKUXIKGPWSWGOU-UONOGXRCSA-N 2 2 299.415 -0.378 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N1CC[NH+](CCOCCO)CC1 ZINC001113106748 811617261 /nfs/dbraw/zinc/61/72/61/811617261.db2.gz HGBTYDRWGXMUOG-UHFFFAOYSA-N 2 2 296.371 -0.655 20 0 CBADLP COC[C@@H](O)C[NH+]1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001113106731 811617497 /nfs/dbraw/zinc/61/74/97/811617497.db2.gz GTSVUQWLXBMMQS-ZDUSSCGKSA-N 2 2 296.371 -0.657 20 0 CBADLP COC(=O)[C@@H]1C[N@H+](C)CCN1c1ncc2c(n1)CC[NH2+]C2 ZINC001157770641 815464154 /nfs/dbraw/zinc/46/41/54/815464154.db2.gz OFIHCLDXDIZRRZ-LBPRGKRZSA-N 2 2 291.355 -0.584 20 0 CBADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1c1ncc2c(n1)CC[NH2+]C2 ZINC001157770641 815464156 /nfs/dbraw/zinc/46/41/56/815464156.db2.gz OFIHCLDXDIZRRZ-LBPRGKRZSA-N 2 2 291.355 -0.584 20 0 CBADLP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[NH+](CCOCCO)CC1 ZINC001113343875 811633101 /nfs/dbraw/zinc/63/31/01/811633101.db2.gz HMWUJKFRCGEPDO-AWEZNQCLSA-N 2 2 299.415 -0.376 20 0 CBADLP C[C@H]1CCC[N@H+]1CC(=O)N1CC[NH+](CCOCCO)CC1 ZINC001113343875 811633108 /nfs/dbraw/zinc/63/31/08/811633108.db2.gz HMWUJKFRCGEPDO-AWEZNQCLSA-N 2 2 299.415 -0.376 20 0 CBADLP CC[N@H+](C)CCC(=O)N1CC[NH+](CCOCCO)CC1 ZINC001113495691 811644380 /nfs/dbraw/zinc/64/43/80/811644380.db2.gz TVYSCRSZMDFITJ-UHFFFAOYSA-N 2 2 287.404 -0.519 20 0 CBADLP CC[N@@H+](C)CCC(=O)N1CC[NH+](CCOCCO)CC1 ZINC001113495691 811644384 /nfs/dbraw/zinc/64/43/84/811644384.db2.gz TVYSCRSZMDFITJ-UHFFFAOYSA-N 2 2 287.404 -0.519 20 0 CBADLP CCC[N@H+](C)CC(=O)N1CC[NH+](CCCO)CC1 ZINC001113569980 811649018 /nfs/dbraw/zinc/64/90/18/811649018.db2.gz HAPYNLBMJNGTJP-UHFFFAOYSA-N 2 2 257.378 -0.145 20 0 CBADLP CCC[N@@H+](C)CC(=O)N1CC[NH+](CCCO)CC1 ZINC001113569980 811649025 /nfs/dbraw/zinc/64/90/25/811649025.db2.gz HAPYNLBMJNGTJP-UHFFFAOYSA-N 2 2 257.378 -0.145 20 0 CBADLP O=C(N1CCC[C@](O)(CF)CC1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001157780053 815466077 /nfs/dbraw/zinc/46/60/77/815466077.db2.gz BJPKXOBNHPTWAN-BNOWGMLFSA-N 2 2 285.363 -0.349 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCC[C@@](O)(CF)CC2)C1 ZINC001157780050 815466107 /nfs/dbraw/zinc/46/61/07/815466107.db2.gz BEXSPTNQBRENAY-SCVCMEIPSA-N 2 2 259.325 -0.611 20 0 CBADLP CCn1nnc2c1[C@@H](C(=O)N1CC[C@@H](C)[C@@H]([NH3+])C1)C[NH2+]C2 ZINC001157793983 815467041 /nfs/dbraw/zinc/46/70/41/815467041.db2.gz QBLWXRWPKGRIOM-VWYCJHECSA-N 2 2 292.387 -0.320 20 0 CBADLP [NH3+]C[C@@]1(F)CCCN(C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])CC1 ZINC001157754509 815463166 /nfs/dbraw/zinc/46/31/66/815463166.db2.gz KLOWTUCRLJKHIR-JBLDHEPKSA-N 3 2 258.341 -0.787 20 0 CBADLP C[C@@H]1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)C[C@@H]1[NH3+] ZINC001157799848 815468551 /nfs/dbraw/zinc/46/85/51/815468551.db2.gz SVQQOAXMHSQMBB-BLFANLJRSA-N 3 2 252.362 -0.866 20 0 CBADLP C[C@H]1[C@H](C[NH3+])CCCN1C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001157841804 815470586 /nfs/dbraw/zinc/47/05/86/815470586.db2.gz HXZBOSNZSMTHSX-ROEYZRMQSA-N 3 2 266.389 -0.206 20 0 CBADLP COC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@@H](C[NH3+])[C@H]1C ZINC001157844325 815470821 /nfs/dbraw/zinc/47/08/21/815470821.db2.gz WACJGQDRXKWWNE-UTLUCORTSA-N 2 2 257.334 -0.537 20 0 CBADLP C[C@@H]1CC[C@@H](CO)CN1C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001157854200 815471695 /nfs/dbraw/zinc/47/16/95/815471695.db2.gz AFYGWMOCSWJWGV-SKENRDBWSA-N 2 2 267.373 -0.172 20 0 CBADLP C[C@H]1CC[C@H](CO)CN1C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001157856547 815473739 /nfs/dbraw/zinc/47/37/39/815473739.db2.gz VNFUMRXHEFCOKM-NHCYSSNCSA-N 2 2 266.345 -0.101 20 0 CBADLP CC[C@@]([NH3+])(CO)Nc1cc[nH+]c(N2CCOCC2)n1 ZINC001159744041 815591365 /nfs/dbraw/zinc/59/13/65/815591365.db2.gz NAGSRFPPZSQYCP-LBPRGKRZSA-N 2 2 267.333 -0.218 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1C[C@@H](CO)CC(F)(F)C1 ZINC001157900019 815477876 /nfs/dbraw/zinc/47/78/76/815477876.db2.gz DUVLOGBSHTXWOQ-CIUDSAMLSA-N 2 2 263.288 -0.991 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCC[C@](F)(CO)CC2)C1 ZINC001157934553 815487372 /nfs/dbraw/zinc/48/73/72/815487372.db2.gz LUKCSEQTKOWSIV-JFGNBEQYSA-N 2 2 259.325 -0.611 20 0 CBADLP Cc1nc(CCN(C)C(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)no1 ZINC001157983574 815494173 /nfs/dbraw/zinc/49/41/73/815494173.db2.gz PNJCSTPCEXZACX-ZWNOBZJWSA-N 2 2 279.344 -0.670 20 0 CBADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CCNCC(F)(F)C1 ZINC001157936573 815488585 /nfs/dbraw/zinc/48/85/85/815488585.db2.gz HYACJVZMNKSYBF-LPEHRKFASA-N 2 2 274.315 -0.997 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC001157999009 815496720 /nfs/dbraw/zinc/49/67/20/815496720.db2.gz MHEHIWOQRMRXQI-WOPDTQHZSA-N 2 2 283.372 -0.262 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@H]1[NH2+][C@H]2CC[C@@H]1C2 ZINC001158000558 815497266 /nfs/dbraw/zinc/49/72/66/815497266.db2.gz YSGWOLUUXVIKSB-RHYQMDGZSA-N 2 2 281.356 -0.510 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1C[C@@H](C)CC[NH2+]1 ZINC001157999108 815497295 /nfs/dbraw/zinc/49/72/95/815497295.db2.gz OSUVKUZKIXHANG-SRVKXCTJSA-N 2 2 283.372 -0.262 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1CC[NH2+]C[C@@H]1F ZINC001158006961 815498170 /nfs/dbraw/zinc/49/81/70/815498170.db2.gz OMNZRZOAILRVLP-VWYCJHECSA-N 2 2 287.335 -0.703 20 0 CBADLP [NH3+]C1CC2(C1)CCN(C(=O)[C@@]13C[NH2+]C[C@@H]1CC[NH2+]3)CC2 ZINC001158081657 815503206 /nfs/dbraw/zinc/50/32/06/815503206.db2.gz FVDRLTLGLPLKPC-XHDPSFHLSA-N 3 2 278.400 -0.332 20 0 CBADLP COC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@@]12CCC[NH2+]C2 ZINC001158159477 815506984 /nfs/dbraw/zinc/50/69/84/815506984.db2.gz BYGFTTWJCBVRSP-GXFFZTMASA-N 2 2 269.345 -0.379 20 0 CBADLP COC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@]12CCC[NH2+]C2 ZINC001158159476 815507131 /nfs/dbraw/zinc/50/71/31/815507131.db2.gz BYGFTTWJCBVRSP-GWCFXTLKSA-N 2 2 269.345 -0.379 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CCC[C@@]12CCC[NH2+]C2 ZINC001158162323 815507424 /nfs/dbraw/zinc/50/74/24/815507424.db2.gz XHFIAYIQRQTYBB-GMXVVIOVSA-N 3 2 252.362 -0.722 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCC[C@]23CCC[NH2+]C3)C1 ZINC001158160200 815507619 /nfs/dbraw/zinc/50/76/19/815507619.db2.gz JFXZYNDNYUHAPA-MDZLAQPJSA-N 3 2 252.362 -0.580 20 0 CBADLP O=C(CC[NH+]1CCOCC1)N[C@@H]1[C@H]2C[N@@H+](CCF)C[C@H]21 ZINC001114979632 812171024 /nfs/dbraw/zinc/17/10/24/812171024.db2.gz ARWLSZUOFMPLDU-IMRBUKKESA-N 2 2 285.363 -0.275 20 0 CBADLP O=C(CC[NH+]1CCOCC1)N[C@@H]1[C@H]2C[N@H+](CCF)C[C@H]21 ZINC001114979632 812171027 /nfs/dbraw/zinc/17/10/27/812171027.db2.gz ARWLSZUOFMPLDU-IMRBUKKESA-N 2 2 285.363 -0.275 20 0 CBADLP CC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2C[NH+](Cc3cnon3)C[C@H]21 ZINC001115080976 812178219 /nfs/dbraw/zinc/17/82/19/812178219.db2.gz ITROJPPTLNAIQN-IMRBUKKESA-N 2 2 293.371 -0.042 20 0 CBADLP CC[N@@H+](C)CCC(=O)N[C@@H]1[C@H]2C[NH+](Cc3cnon3)C[C@H]21 ZINC001115080976 812178224 /nfs/dbraw/zinc/17/82/24/812178224.db2.gz ITROJPPTLNAIQN-IMRBUKKESA-N 2 2 293.371 -0.042 20 0 CBADLP CC[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cnon3)C[C@H]21 ZINC001115080976 812178231 /nfs/dbraw/zinc/17/82/31/812178231.db2.gz ITROJPPTLNAIQN-IMRBUKKESA-N 2 2 293.371 -0.042 20 0 CBADLP CC[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cnon3)C[C@H]21 ZINC001115080976 812178237 /nfs/dbraw/zinc/17/82/37/812178237.db2.gz ITROJPPTLNAIQN-IMRBUKKESA-N 2 2 293.371 -0.042 20 0 CBADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ncc2c(n1)CC[NH2+]C2 ZINC001158203493 815512811 /nfs/dbraw/zinc/51/28/11/815512811.db2.gz ATWOIJGLXNDZBH-SNVBAGLBSA-N 3 2 274.328 -0.830 20 0 CBADLP CCOC(=O)c1cnc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)cn1 ZINC001158203965 815512897 /nfs/dbraw/zinc/51/28/97/815512897.db2.gz KXAMYIXAXKNGNX-SECBINFHSA-N 2 2 291.311 -0.299 20 0 CBADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cncc(-n2ccnc2)n1 ZINC001158206168 815513568 /nfs/dbraw/zinc/51/35/68/815513568.db2.gz AYDBYHCQWBBSRQ-SNVBAGLBSA-N 2 2 285.311 -0.290 20 0 CBADLP C[C@H]1C(=O)Nc2ncnc(-n3c[nH+]cc3C[C@@H]([NH3+])CO)c21 ZINC001158206433 815513769 /nfs/dbraw/zinc/51/37/69/815513769.db2.gz ODFVWCFKVWXXRF-HTQZYQBOSA-N 2 2 288.311 -0.420 20 0 CBADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1nccc2c1C(=O)NC2 ZINC001158204970 815513781 /nfs/dbraw/zinc/51/37/81/815513781.db2.gz YNENSYZEBDLHDR-SECBINFHSA-N 2 2 273.296 -0.627 20 0 CBADLP COc1ncc(F)c(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001158204980 815514009 /nfs/dbraw/zinc/51/40/09/815514009.db2.gz ZLOVTPKIHULZQE-SSDOTTSWSA-N 2 2 267.264 -0.328 20 0 CBADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1nccc2c1NC(=O)CO2 ZINC001158206520 815514304 /nfs/dbraw/zinc/51/43/04/815514304.db2.gz SWKHPRKBFJIRJC-MRVPVSSYSA-N 2 2 289.295 -0.540 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](Nc2ncnc3c2CC[NH2+]CC3)C[NH2+]1 ZINC001158252008 815516190 /nfs/dbraw/zinc/51/61/90/815516190.db2.gz ZPLAJNBTAQTFSC-SKDRFNHKSA-N 2 2 291.355 -0.520 20 0 CBADLP O=C(N1C[C@@H]2C[C@@H]2[C@@H](F)C1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001158326943 815520147 /nfs/dbraw/zinc/52/01/47/815520147.db2.gz BEKOLHWREOTSGW-FBUUZDRASA-N 2 2 253.321 -0.246 20 0 CBADLP O=C1CO[C@@H](CNc2ccc(N3CC[NH2+]CC3)c[nH+]2)CN1 ZINC001158394842 815525973 /nfs/dbraw/zinc/52/59/73/815525973.db2.gz VZZSWDZMBZCBBV-LBPRGKRZSA-N 2 2 291.355 -0.582 20 0 CBADLP Cc1[nH]c2c([nH+]1)CCN(C(=O)[C@H]1C[NH2+]CC13C[NH2+]C3)CC2 ZINC001158339250 815522172 /nfs/dbraw/zinc/52/21/72/815522172.db2.gz MSIWXSKMSJFPDD-LLVKDONJSA-N 3 2 289.383 -0.546 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC001118255856 812509935 /nfs/dbraw/zinc/50/99/35/812509935.db2.gz GPBGWOXCHCPRDM-MXWKQRLJSA-N 2 2 269.345 -0.652 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H](N)CC[NH+](C)C ZINC001118273413 812516719 /nfs/dbraw/zinc/51/67/19/812516719.db2.gz VSFJFYZGFKIAGL-WDEREUQCSA-N 2 2 253.350 -0.333 20 0 CBADLP NC(=O)C[N@@H+]1CCC[C@H](NC(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC001118287316 812519820 /nfs/dbraw/zinc/51/98/20/812519820.db2.gz VOXPWGLGPIJAIL-QWRGUYRKSA-N 2 2 268.361 -0.806 20 0 CBADLP NC(=O)C[N@H+]1CCC[C@H](NC(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC001118287316 812519825 /nfs/dbraw/zinc/51/98/25/812519825.db2.gz VOXPWGLGPIJAIL-QWRGUYRKSA-N 2 2 268.361 -0.806 20 0 CBADLP COC[C@@H](CO)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC001118325470 812529275 /nfs/dbraw/zinc/52/92/75/812529275.db2.gz IRPTXCOGCFARIS-OLZOCXBDSA-N 2 2 258.362 -0.163 20 0 CBADLP CCOC(=O)[C@@]12C[C@@H]1CCN2C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001158534529 815537507 /nfs/dbraw/zinc/53/75/07/815537507.db2.gz TUNCYBICBWASEN-MPXOCVNLSA-N 2 2 267.329 -0.770 20 0 CBADLP CCOC(=O)[C@@]12C[C@@H]1CCN2C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001158533507 815537659 /nfs/dbraw/zinc/53/76/59/815537659.db2.gz MSBGNEZXEZHDAH-AVWBDOJWSA-N 2 2 267.329 -0.913 20 0 CBADLP C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001158628874 815540823 /nfs/dbraw/zinc/54/08/23/815540823.db2.gz ANTYSBKHICUDDA-SCRDCRAPSA-N 3 2 297.447 -0.712 20 0 CBADLP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001158628874 815540827 /nfs/dbraw/zinc/54/08/27/815540827.db2.gz ANTYSBKHICUDDA-SCRDCRAPSA-N 3 2 297.447 -0.712 20 0 CBADLP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CC[NH+](CCOC)CC1 ZINC001158603657 815540996 /nfs/dbraw/zinc/54/09/96/815540996.db2.gz HZIVAJNBGPPISI-ZDUSSCGKSA-N 3 2 286.420 -0.506 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC001118892500 812654708 /nfs/dbraw/zinc/65/47/08/812654708.db2.gz LSTJCGXUEFKSQT-SNVBAGLBSA-N 2 2 252.318 -0.557 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC001118892500 812654712 /nfs/dbraw/zinc/65/47/12/812654712.db2.gz LSTJCGXUEFKSQT-SNVBAGLBSA-N 2 2 252.318 -0.557 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNc1cc2c(nn1)CC[NH2+]C2 ZINC001158707797 815543981 /nfs/dbraw/zinc/54/39/81/815543981.db2.gz TXJOWRSVBQEZPV-NSHDSACASA-N 2 2 263.345 -0.135 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNc1cc2c(nn1)CC[NH2+]C2 ZINC001158707797 815543983 /nfs/dbraw/zinc/54/39/83/815543983.db2.gz TXJOWRSVBQEZPV-NSHDSACASA-N 2 2 263.345 -0.135 20 0 CBADLP c1c(CC[NH+]2CCOCC2)nnn1CC1C[NH2+]C1 ZINC001118979934 812682349 /nfs/dbraw/zinc/68/23/49/812682349.db2.gz ZPOZIPOHHZWVKL-UHFFFAOYSA-N 2 2 251.334 -0.628 20 0 CBADLP [NH3+][C@H]1CN(c2cc(N3CCOCC3)[nH+]cn2)CC12COC2 ZINC001158765278 815546331 /nfs/dbraw/zinc/54/63/31/815546331.db2.gz XWFOBKDHBIBZIB-NSHDSACASA-N 2 2 291.355 -0.523 20 0 CBADLP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC001119417361 812778269 /nfs/dbraw/zinc/77/82/69/812778269.db2.gz OXDHNYABFAYRCC-OUAUKWLOSA-N 2 2 291.355 -0.738 20 0 CBADLP C[C@@H]1C[N@H+](C[C@@H](O)COC2CCOCC2)C[C@H]1[NH3+] ZINC001119617302 812834512 /nfs/dbraw/zinc/83/45/12/812834512.db2.gz MXNANOLSZOTFKC-NQBHXWOUSA-N 2 2 258.362 -0.178 20 0 CBADLP C[C@@H]1C[N@@H+](C[C@@H](O)COC2CCOCC2)C[C@H]1[NH3+] ZINC001119617302 812834520 /nfs/dbraw/zinc/83/45/20/812834520.db2.gz MXNANOLSZOTFKC-NQBHXWOUSA-N 2 2 258.362 -0.178 20 0 CBADLP CO[C@]1(C[NH2+][C@H]2CCC[C@@H]2[NH3+])CCS(=O)(=O)C1 ZINC001119700872 812872920 /nfs/dbraw/zinc/87/29/20/812872920.db2.gz KIQZWJDUHINURU-DCAQKATOSA-N 2 2 262.375 -0.341 20 0 CBADLP C[C@@H](NC(=O)NCC[NH+]1CCC([NH3+])CC1)[C@H](C)[NH3+] ZINC001120547449 812988887 /nfs/dbraw/zinc/98/88/87/812988887.db2.gz ZTQZSNVNZKMXDT-VHSXEESVSA-N 3 2 257.382 -0.556 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)CCCC[NH2+]C ZINC001120547143 812989365 /nfs/dbraw/zinc/98/93/65/812989365.db2.gz UUFQKUXMIZOMPA-NSHDSACASA-N 2 2 271.361 -0.260 20 0 CBADLP CC[NH+]1CCN([C@@H](C)C[NH2+]CCS(C)(=O)=O)CC1 ZINC001120569982 812993562 /nfs/dbraw/zinc/99/35/62/812993562.db2.gz NVPGNVXNXFDKAB-LBPRGKRZSA-N 2 2 277.434 -0.353 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)NCC2([NH3+])CC2)CC1 ZINC001120574009 812993878 /nfs/dbraw/zinc/99/38/78/812993878.db2.gz PMQDOZPAHFHTEP-UHFFFAOYSA-N 3 2 255.366 -0.800 20 0 CBADLP [NH3+]C1(CNC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001120572923 812994749 /nfs/dbraw/zinc/99/47/49/812994749.db2.gz FGKFEMXVQVBQSG-PHIMTYICSA-N 2 2 268.361 -0.360 20 0 CBADLP [NH3+]C1(CNC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001120572923 812994755 /nfs/dbraw/zinc/99/47/55/812994755.db2.gz FGKFEMXVQVBQSG-PHIMTYICSA-N 2 2 268.361 -0.360 20 0 CBADLP CC(C)(O)CNC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001120648075 813006813 /nfs/dbraw/zinc/00/68/13/813006813.db2.gz FSCQMRTZRXPNGR-UHFFFAOYSA-N 2 2 258.366 -0.520 20 0 CBADLP CN(CCOCC[NH3+])C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001120648152 813006321 /nfs/dbraw/zinc/00/63/21/813006321.db2.gz HTNIWGJNGNJELK-UHFFFAOYSA-N 3 2 287.408 -0.974 20 0 CBADLP CCN1CC[C@@]2(CN(C(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)C[C@@H]2C)C1=O ZINC001159318653 815569426 /nfs/dbraw/zinc/56/94/26/815569426.db2.gz TVBVYIQBPKRPGZ-OXIQGZBJSA-N 2 2 294.399 -0.608 20 0 CBADLP CCN1CC[C@@]2(CN(C(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])C[C@@H]2C)C1=O ZINC001159318715 815569712 /nfs/dbraw/zinc/56/97/12/815569712.db2.gz VXQMVSHERQWULN-ASHKBJFXSA-N 2 2 294.399 -0.750 20 0 CBADLP CC(C)(CO)[NH+]1CCN(c2cc[nH+]c(N)n2)CC1 ZINC001120816917 813020361 /nfs/dbraw/zinc/02/03/61/813020361.db2.gz SDWRAAWZUVGGCO-UHFFFAOYSA-N 2 2 251.334 -0.048 20 0 CBADLP Cc1nc(N(C)C)nc(NCCOCCOCC[NH3+])[nH+]1 ZINC001159445105 815573655 /nfs/dbraw/zinc/57/36/55/815573655.db2.gz FHWKLESZLLEHBX-UHFFFAOYSA-N 2 2 284.364 -0.350 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@]23CC[C@H]2C[NH2+]C3)CCO1 ZINC001121996200 813103171 /nfs/dbraw/zinc/10/31/71/813103171.db2.gz DRTMRPDFHPDJDD-DYEKYZERSA-N 2 2 267.373 -0.177 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@]23CC[C@H]2C[NH2+]C3)CCO1 ZINC001121996200 813103173 /nfs/dbraw/zinc/10/31/73/813103173.db2.gz DRTMRPDFHPDJDD-DYEKYZERSA-N 2 2 267.373 -0.177 20 0 CBADLP [NH3+]Cc1nc(C(=O)N2CC[NH2+]C[C@@H]2CO)cs1 ZINC001122124906 813120045 /nfs/dbraw/zinc/12/00/45/813120045.db2.gz SFYZGXDRIAVKIH-SSDOTTSWSA-N 2 2 256.331 -0.992 20 0 CBADLP CN1CCCC[C@@H](C(=O)NCC[NH+]2CCC([NH3+])CC2)C1=O ZINC001122157709 813125714 /nfs/dbraw/zinc/12/57/14/813125714.db2.gz UEFYDYUPFGNCLU-ZDUSSCGKSA-N 2 2 296.415 -0.216 20 0 CBADLP Cc1ncc(C(=O)NCC[NH+]2CCC([NH3+])CC2)[nH]1 ZINC001122157528 813125757 /nfs/dbraw/zinc/12/57/57/813125757.db2.gz NZHNZYLPLNMGSM-UHFFFAOYSA-N 2 2 251.334 -0.129 20 0 CBADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CC[NH2+]C[C@H]1CO ZINC001122207502 813134264 /nfs/dbraw/zinc/13/42/64/813134264.db2.gz FBJBVXLFBQJEMV-JTQLQIEISA-N 2 2 260.297 -0.031 20 0 CBADLP Cc1nccnc1C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001122240668 813137398 /nfs/dbraw/zinc/13/73/98/813137398.db2.gz XTZNWERAUQVEMV-UHFFFAOYSA-N 2 2 263.345 -0.062 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CC[C@@H](O)[C@@H]2Cc2ccccc2)C1 ZINC001159532461 815579729 /nfs/dbraw/zinc/57/97/29/815579729.db2.gz BZQLABLGJDHSSQ-CBBWQLFWSA-N 2 2 289.379 -0.120 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)NCCC[NH2+][C@H]1CCNC1=O ZINC001159537387 815579774 /nfs/dbraw/zinc/57/97/74/815579774.db2.gz XAQYQYHHKTUZKQ-NSHDSACASA-N 2 2 279.344 -0.673 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)NCCC[NH2+][C@H]1CCNC1=O ZINC001159537387 815579777 /nfs/dbraw/zinc/57/97/77/815579777.db2.gz XAQYQYHHKTUZKQ-NSHDSACASA-N 2 2 279.344 -0.673 20 0 CBADLP C[C@@H]([NH2+]CCCNC(=O)CCc1c[nH]c[nH+]1)C(=O)N(C)C ZINC001159537374 815579826 /nfs/dbraw/zinc/57/98/26/815579826.db2.gz WKKHLOWLSACLGL-LLVKDONJSA-N 2 2 295.387 -0.085 20 0 CBADLP C[C@@H]([NH2+]CCCNC(=O)CCc1c[nH+]c[nH]1)C(=O)N(C)C ZINC001159537374 815579828 /nfs/dbraw/zinc/57/98/28/815579828.db2.gz WKKHLOWLSACLGL-LLVKDONJSA-N 2 2 295.387 -0.085 20 0 CBADLP COCC[C@@H]1C[NH2+]CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001122314206 813144386 /nfs/dbraw/zinc/14/43/86/813144386.db2.gz WDCGMXJYYAUZIO-SNVBAGLBSA-N 2 2 252.318 -0.211 20 0 CBADLP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCCCn1cc[nH+]c1 ZINC001123476850 813242136 /nfs/dbraw/zinc/24/21/36/813242136.db2.gz RHTQNFPZQWUCTR-CHWSQXEVSA-N 2 2 277.372 -0.222 20 0 CBADLP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCCCn1cc[nH+]c1 ZINC001123476850 813242139 /nfs/dbraw/zinc/24/21/39/813242139.db2.gz RHTQNFPZQWUCTR-CHWSQXEVSA-N 2 2 277.372 -0.222 20 0 CBADLP Cc1nonc1C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001124837886 813485005 /nfs/dbraw/zinc/48/50/05/813485005.db2.gz QTEOLHPXMWPZRC-NSHDSACASA-N 2 2 267.333 -0.322 20 0 CBADLP Cc1nonc1C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001124837886 813485009 /nfs/dbraw/zinc/48/50/09/813485009.db2.gz QTEOLHPXMWPZRC-NSHDSACASA-N 2 2 267.333 -0.322 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1nnnn1C1CC1 ZINC001124872709 813491914 /nfs/dbraw/zinc/49/19/14/813491914.db2.gz LTLXFKFEUIAJIF-NSHDSACASA-N 2 2 293.375 -0.692 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1nnnn1C1CC1 ZINC001124872709 813491923 /nfs/dbraw/zinc/49/19/23/813491923.db2.gz LTLXFKFEUIAJIF-NSHDSACASA-N 2 2 293.375 -0.692 20 0 CBADLP Cc1nnc([C@H](C)[NH2+]CCNC(=O)[C@@H]2CCC[N@@H+]2C)[nH]1 ZINC001124877095 813495213 /nfs/dbraw/zinc/49/52/13/813495213.db2.gz BMNNPBPDMLZMNM-ONGXEEELSA-N 2 2 280.376 -0.026 20 0 CBADLP Cc1nnc([C@H](C)[NH2+]CCNC(=O)[C@@H]2CCC[N@H+]2C)[nH]1 ZINC001124877095 813495218 /nfs/dbraw/zinc/49/52/18/813495218.db2.gz BMNNPBPDMLZMNM-ONGXEEELSA-N 2 2 280.376 -0.026 20 0 CBADLP Cc1nc(C[NH2+]CCNC(=O)[C@H]2C[N@H+](C)CCO2)cs1 ZINC001125203732 813529749 /nfs/dbraw/zinc/52/97/49/813529749.db2.gz QSUAKCQDTIXGMV-GFCCVEGCSA-N 2 2 298.412 -0.012 20 0 CBADLP Cc1nc(C[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)CCO2)cs1 ZINC001125203732 813529754 /nfs/dbraw/zinc/52/97/54/813529754.db2.gz QSUAKCQDTIXGMV-GFCCVEGCSA-N 2 2 298.412 -0.012 20 0 CBADLP Cc1cc(C[NH2+]CCNC(=O)[C@@H]2C[N@H+](C)CCO2)nn1C ZINC001125219790 813532241 /nfs/dbraw/zinc/53/22/41/813532241.db2.gz BVVJLDQDUXAGOW-ZDUSSCGKSA-N 2 2 295.387 -0.735 20 0 CBADLP Cc1cc(C[NH2+]CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)nn1C ZINC001125219790 813532245 /nfs/dbraw/zinc/53/22/45/813532245.db2.gz BVVJLDQDUXAGOW-ZDUSSCGKSA-N 2 2 295.387 -0.735 20 0 CBADLP CCn1ccc(C[NH2+]CCNC(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC001125220528 813534553 /nfs/dbraw/zinc/53/45/53/813534553.db2.gz ISBWNINWRAETML-CYBMUJFWSA-N 2 2 295.387 -0.561 20 0 CBADLP CCn1ccc(C[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC001125220528 813534558 /nfs/dbraw/zinc/53/45/58/813534558.db2.gz ISBWNINWRAETML-CYBMUJFWSA-N 2 2 295.387 -0.561 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2ccns2)C1 ZINC001125221750 813535533 /nfs/dbraw/zinc/53/55/33/813535533.db2.gz TVYSJNWJLKFTDI-NSHDSACASA-N 2 2 284.385 -0.321 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2ccns2)C1 ZINC001125221750 813535536 /nfs/dbraw/zinc/53/55/36/813535536.db2.gz TVYSJNWJLKFTDI-NSHDSACASA-N 2 2 284.385 -0.321 20 0 CBADLP C[C@H]([NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1)c1cnccn1 ZINC001125223172 813535998 /nfs/dbraw/zinc/53/59/98/813535998.db2.gz YOZLJPYZMRRRTA-WCQYABFASA-N 2 2 293.371 -0.426 20 0 CBADLP C[C@H]([NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1)c1cnccn1 ZINC001125223172 813536006 /nfs/dbraw/zinc/53/60/06/813536006.db2.gz YOZLJPYZMRRRTA-WCQYABFASA-N 2 2 293.371 -0.426 20 0 CBADLP Cc1cc(C[NH2+]CCNC(=O)[C@@H]2C[N@H+](C)CCO2)ncn1 ZINC001125221644 813536849 /nfs/dbraw/zinc/53/68/49/813536849.db2.gz REPMXEVSZKWSLI-ZDUSSCGKSA-N 2 2 293.371 -0.679 20 0 CBADLP Cc1cc(C[NH2+]CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)ncn1 ZINC001125221644 813536857 /nfs/dbraw/zinc/53/68/57/813536857.db2.gz REPMXEVSZKWSLI-ZDUSSCGKSA-N 2 2 293.371 -0.679 20 0 CBADLP CN1CC[C@H]([NH2+]CCNC(=O)CCc2[nH]cc[nH+]2)C1=O ZINC001126447652 813647557 /nfs/dbraw/zinc/64/75/57/813647557.db2.gz JIAVGIFCCWIXFJ-JTQLQIEISA-N 2 2 279.344 -0.721 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001126442315 813648131 /nfs/dbraw/zinc/64/81/31/813648131.db2.gz MDEPCQDBTRLKLE-VIFPVBQESA-N 2 2 267.333 -0.817 20 0 CBADLP COC[C@@H](O)C[NH2+]CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001126437225 813648929 /nfs/dbraw/zinc/64/89/29/813648929.db2.gz WNZDSFXSCVCLEO-JTQLQIEISA-N 2 2 270.333 -0.945 20 0 CBADLP CCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001126447993 813649931 /nfs/dbraw/zinc/64/99/31/813649931.db2.gz NCUYVTDRTLACFP-LLVKDONJSA-N 2 2 295.387 -0.037 20 0 CBADLP CC[C@@H]([NH2+]CCNC(=O)CCc1[nH]cc[nH+]1)C(N)=O ZINC001126447930 813650326 /nfs/dbraw/zinc/65/03/26/813650326.db2.gz MENJTYNDBOSOFU-SECBINFHSA-N 2 2 267.333 -0.688 20 0 CBADLP Cc1nonc1C[NH2+]CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127474211 813731835 /nfs/dbraw/zinc/73/18/35/813731835.db2.gz JWMQLCZUEKAQSO-GFCCVEGCSA-N 2 2 293.371 -0.074 20 0 CBADLP C[N@@H+]1CCC[C@@H]1c1cc(C(=O)NCC[NH2+]CCCO)[nH]n1 ZINC001127772076 813747003 /nfs/dbraw/zinc/74/70/03/813747003.db2.gz COJQEZPADOESMF-CYBMUJFWSA-N 2 2 295.387 -0.122 20 0 CBADLP C[N@H+]1CCC[C@@H]1c1cc(C(=O)NCC[NH2+]CCCO)[nH]n1 ZINC001127772076 813747006 /nfs/dbraw/zinc/74/70/06/813747006.db2.gz COJQEZPADOESMF-CYBMUJFWSA-N 2 2 295.387 -0.122 20 0 CBADLP O=C(Cc1cn2c([nH+]1)CCCC2)NCC[NH2+]CCO ZINC001127792370 813749169 /nfs/dbraw/zinc/74/91/69/813749169.db2.gz YOQQUBXYDWEPAD-UHFFFAOYSA-N 2 2 266.345 -0.540 20 0 CBADLP COC[C@@H](O)C[NH2+]CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001128967529 813811057 /nfs/dbraw/zinc/81/10/57/813811057.db2.gz UZDWELLUIDOZBJ-NSHDSACASA-N 2 2 270.333 -0.945 20 0 CBADLP COC[C@@H](O)C[NH2+]CCNC(=O)CCc1c[nH+]c[nH]1 ZINC001128967529 813811065 /nfs/dbraw/zinc/81/10/65/813811065.db2.gz UZDWELLUIDOZBJ-NSHDSACASA-N 2 2 270.333 -0.945 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)NCC[NH2+]CCN1CCCC1=O ZINC001128967188 813811132 /nfs/dbraw/zinc/81/11/32/813811132.db2.gz FXXIHXYXJFTUCB-UHFFFAOYSA-N 2 2 293.371 -0.330 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)NCC[NH2+]CCN1CCCC1=O ZINC001128967188 813811144 /nfs/dbraw/zinc/81/11/44/813811144.db2.gz FXXIHXYXJFTUCB-UHFFFAOYSA-N 2 2 293.371 -0.330 20 0 CBADLP CC(C)CNC(=O)C[NH2+]CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001128967346 813811224 /nfs/dbraw/zinc/81/12/24/813811224.db2.gz MUVPPIITSCJNAU-UHFFFAOYSA-N 2 2 295.387 -0.180 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)NCC[NH2+]CCn1cncn1 ZINC001128967412 813811265 /nfs/dbraw/zinc/81/12/65/813811265.db2.gz PIMNCRDPWAMMRM-UHFFFAOYSA-N 2 2 277.332 -0.660 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)NCC[NH2+]CCn1cncn1 ZINC001128967412 813811277 /nfs/dbraw/zinc/81/12/77/813811277.db2.gz PIMNCRDPWAMMRM-UHFFFAOYSA-N 2 2 277.332 -0.660 20 0 CBADLP CCCCNC(=O)C[NH2+]CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001128992172 813812949 /nfs/dbraw/zinc/81/29/49/813812949.db2.gz RZVGFNIDXHIZDK-UHFFFAOYSA-N 2 2 295.387 -0.036 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)NCC[NH2+][C@@H]1CCCNC1=O ZINC001128992197 813813355 /nfs/dbraw/zinc/81/33/55/813813355.db2.gz TXGVJRGUVPDXEN-LLVKDONJSA-N 2 2 279.344 -0.673 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)NCC[NH2+][C@@H]1CCCNC1=O ZINC001128992197 813813365 /nfs/dbraw/zinc/81/33/65/813813365.db2.gz TXGVJRGUVPDXEN-LLVKDONJSA-N 2 2 279.344 -0.673 20 0 CBADLP Cc1nnc(C[NH2+]CCNC(=O)[C@@H](C2CC2)[NH+](C)C)o1 ZINC001129435114 813841230 /nfs/dbraw/zinc/84/12/30/813841230.db2.gz AZTMJDAVFVLKIX-GFCCVEGCSA-N 2 2 281.360 -0.076 20 0 CBADLP Cc1noc(C[NH2+]CCNC(=O)[C@H](C2CC2)[NH+](C)C)n1 ZINC001129437157 813845351 /nfs/dbraw/zinc/84/53/51/813845351.db2.gz WFLMDOCKAJJDCO-LBPRGKRZSA-N 2 2 281.360 -0.076 20 0 CBADLP Cc1nnc(C[NH2+]CCNC(=O)C[N@@H+](C)C2CCC2)[nH]1 ZINC001129532115 813850508 /nfs/dbraw/zinc/85/05/08/813850508.db2.gz RHKOUPWNHNCOCL-UHFFFAOYSA-N 2 2 280.376 -0.197 20 0 CBADLP Cc1nnc(C[NH2+]CCNC(=O)C[N@H+](C)C2CCC2)[nH]1 ZINC001129532115 813850519 /nfs/dbraw/zinc/85/05/19/813850519.db2.gz RHKOUPWNHNCOCL-UHFFFAOYSA-N 2 2 280.376 -0.197 20 0 CBADLP Cc1ncoc1C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001130182543 813913755 /nfs/dbraw/zinc/91/37/55/813913755.db2.gz MRBWKVZOPDYEEZ-ZWNOBZJWSA-N 2 2 296.371 -0.092 20 0 CBADLP Cc1ncoc1C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001130182543 813913761 /nfs/dbraw/zinc/91/37/61/813913761.db2.gz MRBWKVZOPDYEEZ-ZWNOBZJWSA-N 2 2 296.371 -0.092 20 0 CBADLP Cc1nc(C[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)co1 ZINC001130182577 813915065 /nfs/dbraw/zinc/91/50/65/813915065.db2.gz NWOMRZIWALUZFQ-ZWNOBZJWSA-N 2 2 296.371 -0.092 20 0 CBADLP Cc1nc(C[NH2+]CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)co1 ZINC001130182577 813915068 /nfs/dbraw/zinc/91/50/68/813915068.db2.gz NWOMRZIWALUZFQ-ZWNOBZJWSA-N 2 2 296.371 -0.092 20 0 CBADLP CN(C)C(=O)C[NH2+]CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001130266459 813922279 /nfs/dbraw/zinc/92/22/79/813922279.db2.gz XSMJQFXEEGHPPW-UHFFFAOYSA-N 2 2 289.339 -0.030 20 0 CBADLP O=C(NCC[NH2+][C@@H]1CCNC1=O)c1cc2c[nH+]ccc2[nH]1 ZINC001130266264 813922658 /nfs/dbraw/zinc/92/26/58/813922658.db2.gz RDKXWTQDXZSHLP-LLVKDONJSA-N 2 2 287.323 -0.229 20 0 CBADLP Cc1nnc(C[NH2+]CCNC(=O)[C@@H]2CCCC[N@H+]2C)[nH]1 ZINC001130300667 813925738 /nfs/dbraw/zinc/92/57/38/813925738.db2.gz UAJAAPQVKNDNBB-NSHDSACASA-N 2 2 280.376 -0.197 20 0 CBADLP Cc1nnc(C[NH2+]CCNC(=O)[C@@H]2CCCC[N@@H+]2C)[nH]1 ZINC001130300667 813925744 /nfs/dbraw/zinc/92/57/44/813925744.db2.gz UAJAAPQVKNDNBB-NSHDSACASA-N 2 2 280.376 -0.197 20 0 CBADLP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+]Cc1nnnn1C ZINC001130419036 813938150 /nfs/dbraw/zinc/93/81/50/813938150.db2.gz IWCYWGYEHFFTNR-UHFFFAOYSA-N 2 2 283.380 -0.854 20 0 CBADLP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH2+]Cc1nnnn1C ZINC001130419036 813938157 /nfs/dbraw/zinc/93/81/57/813938157.db2.gz IWCYWGYEHFFTNR-UHFFFAOYSA-N 2 2 283.380 -0.854 20 0 CBADLP CN(C)C(=O)C[NH2+]CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001130481795 813943374 /nfs/dbraw/zinc/94/33/74/813943374.db2.gz ZHYYKPKBMDZNCV-NSHDSACASA-N 2 2 293.371 -0.761 20 0 CBADLP CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001130481207 813943394 /nfs/dbraw/zinc/94/33/94/813943394.db2.gz MWBBPSYQRJQTJY-NSHDSACASA-N 2 2 293.371 -0.713 20 0 CBADLP C[C@H]([NH2+]CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)C(N)=O ZINC001130481326 813943518 /nfs/dbraw/zinc/94/35/18/813943518.db2.gz PRZDRXVOMVNJIA-VHSXEESVSA-N 2 2 279.344 -0.975 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001130484346 813943578 /nfs/dbraw/zinc/94/35/78/813943578.db2.gz LDNSBUCCDGVOFA-WDEREUQCSA-N 2 2 293.371 -0.714 20 0 CBADLP C[C@H](O)C[NH2+]CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001130483935 813943709 /nfs/dbraw/zinc/94/37/09/813943709.db2.gz AJPWDFFWVUMMIC-QWRGUYRKSA-N 2 2 266.345 -0.468 20 0 CBADLP O=C(NCC[NH2+][C@@H]1CCNC1=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001130477583 813943987 /nfs/dbraw/zinc/94/39/87/813943987.db2.gz HCABSMFZEFJMHA-WDEREUQCSA-N 2 2 291.355 -0.960 20 0 CBADLP COCC[NH2+]CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001130487026 813944461 /nfs/dbraw/zinc/94/44/61/813944461.db2.gz BLGYOUPTNJCFOC-LLVKDONJSA-N 2 2 266.345 -0.202 20 0 CBADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC[NH2+]CC(N)=O)C2 ZINC001130491716 813945017 /nfs/dbraw/zinc/94/50/17/813945017.db2.gz ZGKYNBQSEBRRKJ-SECBINFHSA-N 2 2 279.344 -0.986 20 0 CBADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)NCC[NH2+]CC(N)=O)CC2 ZINC001130491716 813945025 /nfs/dbraw/zinc/94/50/25/813945025.db2.gz ZGKYNBQSEBRRKJ-SECBINFHSA-N 2 2 279.344 -0.986 20 0 CBADLP CN(C)C(=O)C[NH2+]CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001130488799 813945044 /nfs/dbraw/zinc/94/50/44/813945044.db2.gz XDQTZHRGXZXSMT-LLVKDONJSA-N 2 2 293.371 -0.761 20 0 CBADLP O=C(NCC[NH2+][C@H]1CCNC1=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001130488115 813945242 /nfs/dbraw/zinc/94/52/42/813945242.db2.gz NAQSYNLTHJKRNV-PWSUYJOCSA-N 2 2 291.355 -0.960 20 0 CBADLP CC[C@@H]([NH2+]CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)C(N)=O ZINC001130488334 813946183 /nfs/dbraw/zinc/94/61/83/813946183.db2.gz PGXLNPPOPCOMMR-ZYHUDNBSSA-N 2 2 293.371 -0.585 20 0 CBADLP Cn1cnnc1C[NH2+]CCNC(=O)c1ccn2c[nH+]cc2c1 ZINC001130867975 813989774 /nfs/dbraw/zinc/98/97/74/813989774.db2.gz ULIVFMXJTAOBHQ-UHFFFAOYSA-N 2 2 299.338 -0.018 20 0 CBADLP Cn1ncnc1C[NH2+]CCNC(=O)c1ccc2c[nH+]cn2c1 ZINC001131370660 814024670 /nfs/dbraw/zinc/02/46/70/814024670.db2.gz QETULSFJMOQRME-UHFFFAOYSA-N 2 2 299.338 -0.018 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NCC[NH2+]Cc1ccn(C)n1 ZINC001131380030 814027901 /nfs/dbraw/zinc/02/79/01/814027901.db2.gz AUVIVDXKYIIREU-UHFFFAOYSA-N 2 2 276.344 -0.169 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NCC[NH2+][C@@H](C)c1nncn1C ZINC001131380675 814028153 /nfs/dbraw/zinc/02/81/53/814028153.db2.gz WEDNHIPRLDSMMQ-NSHDSACASA-N 2 2 291.359 -0.213 20 0 CBADLP CCC[N@H+](C)CC(=O)N1CCC(=O)NCC[NH+](CC)CC1 ZINC001131393428 814029323 /nfs/dbraw/zinc/02/93/23/814029323.db2.gz YGSGSBOELQNGKD-UHFFFAOYSA-N 2 2 298.431 -0.001 20 0 CBADLP CCC[N@@H+](C)CC(=O)N1CCC(=O)NCC[NH+](CC)CC1 ZINC001131393428 814029329 /nfs/dbraw/zinc/02/93/29/814029329.db2.gz YGSGSBOELQNGKD-UHFFFAOYSA-N 2 2 298.431 -0.001 20 0 CBADLP CCC[NH+](C)CC(=O)N1CCC(=O)NCC[N@@H+](CC)CC1 ZINC001131393428 814029334 /nfs/dbraw/zinc/02/93/34/814029334.db2.gz YGSGSBOELQNGKD-UHFFFAOYSA-N 2 2 298.431 -0.001 20 0 CBADLP CCC[NH+](C)CC(=O)N1CCC(=O)NCC[N@H+](CC)CC1 ZINC001131393428 814029339 /nfs/dbraw/zinc/02/93/39/814029339.db2.gz YGSGSBOELQNGKD-UHFFFAOYSA-N 2 2 298.431 -0.001 20 0 CBADLP CCCNC(=O)C[NH2+]CCNC(=O)CCc1[nH+]ccn1C ZINC001131639833 814049013 /nfs/dbraw/zinc/04/90/13/814049013.db2.gz PNDPXXNDWIHBND-UHFFFAOYSA-N 2 2 295.387 -0.415 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)CCc1[nH+]ccn1C ZINC001131656443 814050725 /nfs/dbraw/zinc/05/07/25/814050725.db2.gz OYCXQGOGWKVMDP-SNVBAGLBSA-N 2 2 281.360 -0.807 20 0 CBADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NCC[NH2+]CCCO ZINC001131822308 814071418 /nfs/dbraw/zinc/07/14/18/814071418.db2.gz MNOSHUHMZDVUSL-ZDUSSCGKSA-N 2 2 287.404 -0.425 20 0 CBADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NCC[NH2+]CCCO ZINC001131822308 814071428 /nfs/dbraw/zinc/07/14/28/814071428.db2.gz MNOSHUHMZDVUSL-ZDUSSCGKSA-N 2 2 287.404 -0.425 20 0 CBADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCC[NH2+]CCCO ZINC001131822307 814071457 /nfs/dbraw/zinc/07/14/57/814071457.db2.gz MNOSHUHMZDVUSL-CYBMUJFWSA-N 2 2 287.404 -0.425 20 0 CBADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NCC[NH2+]CCCO ZINC001131822307 814071463 /nfs/dbraw/zinc/07/14/63/814071463.db2.gz MNOSHUHMZDVUSL-CYBMUJFWSA-N 2 2 287.404 -0.425 20 0 CBADLP CN(C)C(=O)C[NH2+]CCNC(=O)CCn1cc[nH+]c1 ZINC001132080055 814100878 /nfs/dbraw/zinc/10/08/78/814100878.db2.gz ZOPNPAJANUVUPR-UHFFFAOYSA-N 2 2 267.333 -0.933 20 0 CBADLP C[NH+](C)CCC(=O)NCC[NH2+]Cc1cnsn1 ZINC001133288284 814235925 /nfs/dbraw/zinc/23/59/25/814235925.db2.gz UKFJQVAUQNWLLD-UHFFFAOYSA-N 2 2 257.363 -0.304 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001133663526 814284471 /nfs/dbraw/zinc/28/44/71/814284471.db2.gz FMKXERZWJCSQIQ-NXEZZACHSA-N 2 2 293.371 -0.330 20 0 CBADLP COC[C@@H](O)C[NH2+]CCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001133664751 814284817 /nfs/dbraw/zinc/28/48/17/814284817.db2.gz YUBLHRGFORORKY-WDEREUQCSA-N 2 2 296.371 -0.457 20 0 CBADLP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]Cc1cnon1 ZINC001133863549 814310945 /nfs/dbraw/zinc/31/09/45/814310945.db2.gz NXVGMWOTPHFIMJ-GXSJLCMTSA-N 2 2 267.333 -0.527 20 0 CBADLP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]Cc1cnon1 ZINC001133863549 814310953 /nfs/dbraw/zinc/31/09/53/814310953.db2.gz NXVGMWOTPHFIMJ-GXSJLCMTSA-N 2 2 267.333 -0.527 20 0 CBADLP Cc1nonc1C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001133868148 814315535 /nfs/dbraw/zinc/31/55/35/814315535.db2.gz ZWWMXIFUVNISIZ-KOLCDFICSA-N 2 2 281.360 -0.218 20 0 CBADLP Cc1nonc1C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001133868148 814315544 /nfs/dbraw/zinc/31/55/44/814315544.db2.gz ZWWMXIFUVNISIZ-KOLCDFICSA-N 2 2 281.360 -0.218 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NCC[NH2+]CCCO[C@H]1CCOC1 ZINC001134397215 814380210 /nfs/dbraw/zinc/38/02/10/814380210.db2.gz LXLGVKZYQQTVTL-ZDUSSCGKSA-N 2 2 296.371 -0.146 20 0 CBADLP CCCNC(=O)[C@H](C)[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001134399537 814380299 /nfs/dbraw/zinc/38/02/99/814380299.db2.gz CDSZOXPPESTVLK-JTQLQIEISA-N 2 2 281.360 -0.427 20 0 CBADLP CCC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001134397708 814380536 /nfs/dbraw/zinc/38/05/36/814380536.db2.gz UPOOWWNPPSHPOI-LLVKDONJSA-N 2 2 295.387 -0.037 20 0 CBADLP C[C@H]([NH2+]CCNC(=O)Cc1c[nH]c[nH+]1)C(=O)NC(C)(C)C ZINC001134400721 814381221 /nfs/dbraw/zinc/38/12/21/814381221.db2.gz PBBUMCMFQCAMBZ-JTQLQIEISA-N 2 2 295.387 -0.039 20 0 CBADLP Cn1nccc1C[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001134407164 814383554 /nfs/dbraw/zinc/38/35/54/814383554.db2.gz UUGLQDLFBKITJC-UHFFFAOYSA-N 2 2 262.317 -0.408 20 0 CBADLP CNC(=O)C[NH2+]CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001134495126 814388479 /nfs/dbraw/zinc/38/84/79/814388479.db2.gz QYSXXIQMTWDLDW-SNVBAGLBSA-N 2 2 267.333 -0.714 20 0 CBADLP C[C@@H](CC(=O)NCC[NH2+][C@@H]1CCCNC1=O)n1cc[nH+]c1 ZINC001134499058 814388788 /nfs/dbraw/zinc/38/87/88/814388788.db2.gz VTPXWCCAYFMPBF-NWDGAFQWSA-N 2 2 293.371 -0.181 20 0 CBADLP C[C@H](CC(=O)NCC[NH2+]CC(=O)NC1CC1)n1cc[nH+]c1 ZINC001134498753 814389004 /nfs/dbraw/zinc/38/90/04/814389004.db2.gz ODOVOGCJSBOCAL-LLVKDONJSA-N 2 2 293.371 -0.181 20 0 CBADLP C[C@@H](CC(=O)NCC[NH2+][C@H]1CCCNC1=O)n1cc[nH+]c1 ZINC001134499059 814389078 /nfs/dbraw/zinc/38/90/78/814389078.db2.gz VTPXWCCAYFMPBF-RYUDHWBXSA-N 2 2 293.371 -0.181 20 0 CBADLP C[C@@H]([NH2+]CCNC(=O)C[C@H](C)n1cc[nH+]c1)C(N)=O ZINC001134499163 814389283 /nfs/dbraw/zinc/38/92/83/814389283.db2.gz XNTXGAWHWKGRNG-VHSXEESVSA-N 2 2 267.333 -0.586 20 0 CBADLP CNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001134544887 814396605 /nfs/dbraw/zinc/39/66/05/814396605.db2.gz JSDPGHHASLQFQC-WDEREUQCSA-N 2 2 295.387 -0.039 20 0 CBADLP CNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001134544887 814396614 /nfs/dbraw/zinc/39/66/14/814396614.db2.gz JSDPGHHASLQFQC-WDEREUQCSA-N 2 2 295.387 -0.039 20 0 CBADLP COC[C@@H](O)C[NH2+]CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001135079647 814434475 /nfs/dbraw/zinc/43/44/75/814434475.db2.gz BKJOIZJOBPBMHK-PWSUYJOCSA-N 2 2 284.360 -0.699 20 0 CBADLP COC[C@@H](O)C[NH2+]CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001135079647 814434480 /nfs/dbraw/zinc/43/44/80/814434480.db2.gz BKJOIZJOBPBMHK-PWSUYJOCSA-N 2 2 284.360 -0.699 20 0 CBADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+][C@@H]1CCCNC1=O ZINC001135080061 814435562 /nfs/dbraw/zinc/43/55/62/814435562.db2.gz KGXPJYRFLWUDTO-CMPLNLGQSA-N 2 2 293.371 -0.427 20 0 CBADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[NH2+][C@@H]1CCCNC1=O ZINC001135080061 814435566 /nfs/dbraw/zinc/43/55/66/814435566.db2.gz KGXPJYRFLWUDTO-CMPLNLGQSA-N 2 2 293.371 -0.427 20 0 CBADLP COCC[NH2+]CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001135071703 814435953 /nfs/dbraw/zinc/43/59/53/814435953.db2.gz IQAQPNPBALKVFZ-SNVBAGLBSA-N 2 2 254.334 -0.060 20 0 CBADLP COCC[NH2+]CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001135071703 814435958 /nfs/dbraw/zinc/43/59/58/814435958.db2.gz IQAQPNPBALKVFZ-SNVBAGLBSA-N 2 2 254.334 -0.060 20 0 CBADLP CCCNC(=O)C[NH2+]CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001135080146 814436010 /nfs/dbraw/zinc/43/60/10/814436010.db2.gz LJYIPTOGTQLIGT-NSHDSACASA-N 2 2 295.387 -0.180 20 0 CBADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+]CC(=O)N1CCC1 ZINC001135071535 814436065 /nfs/dbraw/zinc/43/60/65/814436065.db2.gz HAGSZUCHEZZKHN-NSHDSACASA-N 2 2 293.371 -0.474 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+][C@H](C)C(=O)N(C)C ZINC001135079629 814436325 /nfs/dbraw/zinc/43/63/25/814436325.db2.gz BAJFHDMJYULQCU-GHMZBOCLSA-N 2 2 295.387 -0.229 20 0 CBADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[NH2+][C@H](C)C(=O)N(C)C ZINC001135079629 814436329 /nfs/dbraw/zinc/43/63/29/814436329.db2.gz BAJFHDMJYULQCU-GHMZBOCLSA-N 2 2 295.387 -0.229 20 0 CBADLP Cn1ccc(C[NH2+]CCNC(=O)CC[NH+]2CCOCC2)n1 ZINC001135350190 814468435 /nfs/dbraw/zinc/46/84/35/814468435.db2.gz PVPXFIGKROKFRX-UHFFFAOYSA-N 2 2 295.387 -0.652 20 0 CBADLP Cc1ncc(C[NH2+]CCNC(=O)CC[NH+]2CCOCC2)o1 ZINC001135352700 814468852 /nfs/dbraw/zinc/46/88/52/814468852.db2.gz OKFPTCQBXDDNJY-UHFFFAOYSA-N 2 2 296.371 -0.089 20 0 CBADLP CC[NH+](CC)CC(=O)NCC[NH2+]Cc1nnc(C)[nH]1 ZINC001135510666 814479791 /nfs/dbraw/zinc/47/97/91/814479791.db2.gz FFOIYVSZDGGJNW-UHFFFAOYSA-N 2 2 268.365 -0.339 20 0 CBADLP CCCn1nnnc1C[NH2+]CCNC(=O)C[NH+](CC)CC ZINC001135513759 814480722 /nfs/dbraw/zinc/48/07/22/814480722.db2.gz XZFITWLPXQYMOM-UHFFFAOYSA-N 2 2 297.407 -0.369 20 0 CBADLP CNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001135552928 814490504 /nfs/dbraw/zinc/49/05/04/814490504.db2.gz MQUDYEYZXQJNFG-UWVGGRQHSA-N 2 2 281.360 -0.429 20 0 CBADLP C[C@@H](C[C@H](C)[NH2+]CC(=O)N(C)C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001135552241 814490947 /nfs/dbraw/zinc/49/09/47/814490947.db2.gz CKGHGUHSBQZSKL-QWRGUYRKSA-N 2 2 295.387 -0.087 20 0 CBADLP CC(C)NC(=O)NCC[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001135757623 814519970 /nfs/dbraw/zinc/51/99/70/814519970.db2.gz IGTAMBNGCIGTAY-UHFFFAOYSA-N 2 2 296.375 -0.634 20 0 CBADLP CCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001135766176 814521475 /nfs/dbraw/zinc/52/14/75/814521475.db2.gz LEKDWEZESPZIJU-NSHDSACASA-N 2 2 295.387 -0.037 20 0 CBADLP CCN(CC)C(=O)[C@@H](C)[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001135766386 814522251 /nfs/dbraw/zinc/52/22/51/814522251.db2.gz RLHCSPOFRJSJAN-LLVKDONJSA-N 2 2 295.387 -0.085 20 0 CBADLP CC(=O)N1CCCC[C@@]12CCN(C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])C2 ZINC001160424265 815618882 /nfs/dbraw/zinc/61/88/82/815618882.db2.gz QMNYLGDPKHBUHG-YDHLFZDLSA-N 2 2 294.399 -0.463 20 0 CBADLP C[C@H](C[C@H](C)NC(=O)Cc1[nH]cc[nH+]1)[NH2+]CC(=O)N(C)C ZINC001135798268 814528581 /nfs/dbraw/zinc/52/85/81/814528581.db2.gz DEFUCWGOZMNMAD-MNOVXSKESA-N 2 2 295.387 -0.087 20 0 CBADLP CC(=O)N1CCCC[C@@]12CCN(C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)C2 ZINC001160421017 815619191 /nfs/dbraw/zinc/61/91/91/815619191.db2.gz ACTHTKHHGYKVPQ-IPYPFGDCSA-N 2 2 294.399 -0.321 20 0 CBADLP C[C@@H](C[C@H](C)[NH2+]CC(N)=O)NC(=O)Cc1c[nH+]cn1C ZINC001135944243 814538867 /nfs/dbraw/zinc/53/88/67/814538867.db2.gz HQDJUUCPTWTUJY-UWVGGRQHSA-N 2 2 281.360 -0.679 20 0 CBADLP C[C@@H](O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001136726249 814570058 /nfs/dbraw/zinc/57/00/58/814570058.db2.gz SBXDBWCFMIRMSU-MNOVXSKESA-N 2 2 255.362 -0.348 20 0 CBADLP C[C@@H](O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001136726249 814570064 /nfs/dbraw/zinc/57/00/64/814570064.db2.gz SBXDBWCFMIRMSU-MNOVXSKESA-N 2 2 255.362 -0.348 20 0 CBADLP C[C@H](CC[NH+](C)C)C(=O)N1CC[NH+](CCO)CC1 ZINC001141478204 814658419 /nfs/dbraw/zinc/65/84/19/814658419.db2.gz PAUHESABAGFRJX-GFCCVEGCSA-N 2 2 257.378 -0.289 20 0 CBADLP COCCn1c[nH+]cc1CNC(=O)C1C[NH+](C)C1 ZINC001142600283 814722818 /nfs/dbraw/zinc/72/28/18/814722818.db2.gz OFUULYXZDQBMGF-UHFFFAOYSA-N 2 2 252.318 -0.293 20 0 CBADLP OC[C@@H]1C[NH2+]C[C@@H]1Nc1cccc(N2CCOCC2)[nH+]1 ZINC001159676171 815585967 /nfs/dbraw/zinc/58/59/67/815585967.db2.gz FXOIOZYUAHBCSK-RYUDHWBXSA-N 2 2 278.356 -0.090 20 0 CBADLP NC(=O)C[NH2+]CCNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001146458460 814839010 /nfs/dbraw/zinc/83/90/10/814839010.db2.gz HPJGUIGFDYWVNG-UHFFFAOYSA-N 2 2 287.323 -0.323 20 0 CBADLP NC(=O)C[NH2+]CCNC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001147614980 814903776 /nfs/dbraw/zinc/90/37/76/814903776.db2.gz LRJGXABMOFUAKX-UHFFFAOYSA-N 2 2 288.311 -0.928 20 0 CBADLP CC(C)N(C)C(=O)C[NH2+]CCNC(=O)Cc1c[nH+]cn1C ZINC001147871977 814920718 /nfs/dbraw/zinc/92/07/18/814920718.db2.gz VPUVJAXHYCICMW-UHFFFAOYSA-N 2 2 295.387 -0.465 20 0 CBADLP CC[C@H](C)NC(=O)C[NH2+]CCNC(=O)Cc1c[nH+]cn1C ZINC001147871970 814920971 /nfs/dbraw/zinc/92/09/71/814920971.db2.gz VEAWFOLKKNYOPW-NSHDSACASA-N 2 2 295.387 -0.417 20 0 CBADLP CC[C@]([NH3+])(CO)Nc1ccc(N2CC[NH+](C)CC2)nn1 ZINC001159740035 815591698 /nfs/dbraw/zinc/59/16/98/815591698.db2.gz XWHVFEFAWCPFGS-CYBMUJFWSA-N 2 2 280.376 -0.302 20 0 CBADLP COCCN(C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)C(C)C ZINC001160464049 815624974 /nfs/dbraw/zinc/62/49/74/815624974.db2.gz WCNBFFQUWJCXSZ-SDDRHHMPSA-N 2 2 255.362 -0.180 20 0 CBADLP O=C([C@@H]1COC[NH2+]1)N1CC[NH+](C2CCOCC2)CC1 ZINC001160490587 815628125 /nfs/dbraw/zinc/62/81/25/815628125.db2.gz CVMWFPJAQWEQCU-LBPRGKRZSA-N 2 2 269.345 -0.745 20 0 CBADLP CCN(C(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2)C1CCOCC1 ZINC001160494228 815629616 /nfs/dbraw/zinc/62/96/16/815629616.db2.gz RLXHHFFYCRNIND-BXUZGUMPSA-N 2 2 267.373 -0.035 20 0 CBADLP CC[NH+]1CCC(N(C)C(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)CC1 ZINC001160537595 815634730 /nfs/dbraw/zinc/63/47/30/815634730.db2.gz NHLQVXLNUCJCFM-SWLSCSKDSA-N 3 2 280.416 -0.119 20 0 CBADLP CN(CC1(C)COC1)C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001160544354 815635171 /nfs/dbraw/zinc/63/51/71/815635171.db2.gz IJQQPAXTXHZMDJ-BREBYQMCSA-N 2 2 253.346 -0.297 20 0 CBADLP CN(CC1(C)COC1)C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001160543896 815635566 /nfs/dbraw/zinc/63/55/66/815635566.db2.gz DICCZAAEMHIFSC-NSHDSACASA-N 2 2 266.345 -0.215 20 0 CBADLP CN(CC1(C)COC1)C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001160545448 815635886 /nfs/dbraw/zinc/63/58/86/815635886.db2.gz SCYMBLJLIRZTCL-JTQLQIEISA-N 2 2 252.318 -0.226 20 0 CBADLP NC(=O)[C@@H]1CCN(C(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)C1 ZINC001160549669 815637430 /nfs/dbraw/zinc/63/74/30/815637430.db2.gz UUNCEDBBGHAAMT-NEPJUHHUSA-N 2 2 276.340 -0.408 20 0 CBADLP Cn1ncc2c1CN(C(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1)C2 ZINC001160564816 815638189 /nfs/dbraw/zinc/63/81/89/815638189.db2.gz LBNJUNSXNBATJJ-SNVBAGLBSA-N 2 2 260.301 -0.445 20 0 CBADLP O=C(N1CCC2(CCC(=O)O2)CC1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160575794 815639880 /nfs/dbraw/zinc/63/98/80/815639880.db2.gz JERGHCPKIWTZJF-IAQYHMDHSA-N 2 2 293.367 -0.364 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCc3nc(Cl)ncc3C2)C1 ZINC001160576883 815640234 /nfs/dbraw/zinc/64/02/34/815640234.db2.gz ZYUSPJPDKROFAG-SCZZXKLOSA-N 2 2 281.747 -0.296 20 0 CBADLP CCOC(=O)[C@@H]1CN(C(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)CCO1 ZINC001160596094 815642378 /nfs/dbraw/zinc/64/23/78/815642378.db2.gz BCNNSTAAIGLZOV-QWRGUYRKSA-N 2 2 296.327 -0.930 20 0 CBADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H](CCO)C1 ZINC001160611847 815645268 /nfs/dbraw/zinc/64/52/68/815645268.db2.gz XHCONJPAJCYSLE-PWSUYJOCSA-N 2 2 266.345 -0.100 20 0 CBADLP COC(=O)[C@]1(C)CCCN(C(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)C1 ZINC001160635207 815646610 /nfs/dbraw/zinc/64/66/10/815646610.db2.gz HMMYCDCCXHDWMZ-DFBGVHRSSA-N 2 2 295.383 -0.260 20 0 CBADLP COC(=O)[C@@]1(C)CCCN(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)C1 ZINC001160635157 815646635 /nfs/dbraw/zinc/64/66/35/815646635.db2.gz GNGKLNSPWPUFPT-NRUUGDAUSA-N 2 2 269.345 -0.523 20 0 CBADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CCC[C@@H](n2cncn2)C1 ZINC001160638455 815648131 /nfs/dbraw/zinc/64/81/31/815648131.db2.gz SXKKHQUVFSTSNQ-QNWHQSFQSA-N 2 2 290.371 -0.609 20 0 CBADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)N2CCO[C@@H](C[NH3+])C2)cc1 ZINC001160646046 815650418 /nfs/dbraw/zinc/65/04/18/815650418.db2.gz USCGRIMGIPIGJZ-STQMWFEESA-N 3 2 278.356 -0.555 20 0 CBADLP C[NH+](C)C1(C)CN(C(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)C1 ZINC001160644510 815650528 /nfs/dbraw/zinc/65/05/28/815650528.db2.gz FETBGTNDRLYDFL-MFKMUULPSA-N 3 2 252.362 -0.900 20 0 CBADLP CO[C@@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)C1 ZINC001160647214 815651930 /nfs/dbraw/zinc/65/19/30/815651930.db2.gz AYYARYSWALUNAA-WZRBSPASSA-N 2 2 253.346 -0.425 20 0 CBADLP CO[C@@H]1CCCN(C(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)C1 ZINC001160647659 815652191 /nfs/dbraw/zinc/65/21/91/815652191.db2.gz QYRRKFNOXWMIND-GHMZBOCLSA-N 2 2 252.318 -0.083 20 0 CBADLP COC(CN(C)C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C)OC ZINC001160682069 815655267 /nfs/dbraw/zinc/65/52/67/815655267.db2.gz CHSBACZZRHOZED-JTQLQIEISA-N 2 2 270.333 -0.633 20 0 CBADLP CN(CCC1OCCO1)C(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001160683067 815656862 /nfs/dbraw/zinc/65/68/62/815656862.db2.gz KKBAQAGKZOZCCT-SNVBAGLBSA-N 2 2 268.317 -0.499 20 0 CBADLP CN(Cc1ccon1)C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001160687327 815656977 /nfs/dbraw/zinc/65/69/77/815656977.db2.gz BZKXYCPDNKVDCL-NSHDSACASA-N 2 2 263.301 -0.064 20 0 CBADLP CN(CC[NH+]1CCCC1)C(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001160688555 815657125 /nfs/dbraw/zinc/65/71/25/815657125.db2.gz QGLYPHFSINMDIC-UHFFFAOYSA-N 3 2 268.405 -0.118 20 0 CBADLP COC(CN(C)C(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2)OC ZINC001160684406 815657555 /nfs/dbraw/zinc/65/75/55/815657555.db2.gz UGZWGPYULJQNNU-BXKDBHETSA-N 2 2 257.334 -0.985 20 0 CBADLP O=C([C@H]1[NH2+]CC[C@H]1O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001160694157 815658399 /nfs/dbraw/zinc/65/83/99/815658399.db2.gz RRTYBZVSKHGZQF-AXFHLTTASA-N 2 2 264.329 -0.162 20 0 CBADLP CN(C[C@@H]1CCC[NH2+]C1)C(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001160694751 815658435 /nfs/dbraw/zinc/65/84/35/815658435.db2.gz DOAJBJCSLKLNNM-ZYHUDNBSSA-N 3 2 265.361 -0.263 20 0 CBADLP CN(C[C@H]1CCC[NH2+]C1)C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001160694747 815658842 /nfs/dbraw/zinc/65/88/42/815658842.db2.gz DOAJBJCSLKLNNM-JQWIXIFHSA-N 3 2 265.361 -0.263 20 0 CBADLP CN(C[C@H]1CCC[NH2+]C1)C(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001160694745 815659098 /nfs/dbraw/zinc/65/90/98/815659098.db2.gz DOAJBJCSLKLNNM-CMPLNLGQSA-N 3 2 265.361 -0.263 20 0 CBADLP O=C([C@@H]1C[NH2+]CCN1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001160694210 815659437 /nfs/dbraw/zinc/65/94/37/815659437.db2.gz TWPBJAWZLJMQCE-MNOVXSKESA-N 2 2 263.345 -0.323 20 0 CBADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)Nc1cc(C[NH3+])ncn1 ZINC001160692024 815659458 /nfs/dbraw/zinc/65/94/58/815659458.db2.gz AQHCAZKROPMHBZ-LLVKDONJSA-N 2 2 290.327 -0.135 20 0 CBADLP C[N@H+]1C[C@H]2CN(C(=O)[C@@]34CC[C@@H]([NH2+]3)[C@H]([NH3+])C4)C[C@H]2C1 ZINC001160703834 815660134 /nfs/dbraw/zinc/66/01/34/815660134.db2.gz FMCLDSGBRLCDBQ-OJROKELRSA-N 3 2 264.373 -0.772 20 0 CBADLP C[N@@H+]1C[C@H]2CN(C(=O)[C@@]34CC[C@@H]([NH2+]3)[C@H]([NH3+])C4)C[C@H]2C1 ZINC001160703834 815660136 /nfs/dbraw/zinc/66/01/36/815660136.db2.gz FMCLDSGBRLCDBQ-OJROKELRSA-N 3 2 264.373 -0.772 20 0 CBADLP O=C(N1CCC(n2cnnc2)CC1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160718327 815663905 /nfs/dbraw/zinc/66/39/05/815663905.db2.gz FPLXUXNKVJVTMT-BXUZGUMPSA-N 2 2 290.371 -0.607 20 0 CBADLP COC(=O)[C@H](C)N(C)C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001160718685 815664131 /nfs/dbraw/zinc/66/41/31/815664131.db2.gz QPFHKPMGULGNQN-HAYRHPOISA-N 2 2 255.318 -0.772 20 0 CBADLP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCC(n2cc[nH+]c2)CC1 ZINC001160726177 815665712 /nfs/dbraw/zinc/66/57/12/815665712.db2.gz KFJHMUPTNQXDJH-CYBMUJFWSA-N 3 2 289.383 -0.144 20 0 CBADLP O=C([C@@H]1C[NH2+]C[C@H]1O)N1CCC(n2cc[nH+]c2)CC1 ZINC001160726227 815665774 /nfs/dbraw/zinc/66/57/74/815665774.db2.gz MKEQSBPSLGOEGF-VXGBXAGGSA-N 2 2 264.329 -0.373 20 0 CBADLP C[C@@H]1CO[C@@H]2CN(C(=O)[C@@H]([NH3+])Cc3c[nH+]c[nH]3)C[C@H]12 ZINC001160756146 815666390 /nfs/dbraw/zinc/66/63/90/815666390.db2.gz HYLDBUBSADIUJQ-KXGXSXBTSA-N 2 2 264.329 -0.227 20 0 CBADLP C[C@@H]1CO[C@@H]2CN(C(=O)[C@@H]([NH3+])Cc3c[nH+]cn3C)C[C@H]12 ZINC001160756588 815667035 /nfs/dbraw/zinc/66/70/35/815667035.db2.gz RCDBBHPSUDUXPQ-FOUMNBMASA-N 2 2 278.356 -0.217 20 0 CBADLP O=C(CN1CC[NH2+]CC1)N1CCc2[nH+]ccn2CC1 ZINC001160760334 815668777 /nfs/dbraw/zinc/66/87/77/815668777.db2.gz KBHDAADLQNMBSV-UHFFFAOYSA-N 2 2 263.345 -0.827 20 0 CBADLP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCc2[nH+]ccn2CC1 ZINC001160759846 815669073 /nfs/dbraw/zinc/66/90/73/815669073.db2.gz AZIHWUILZRWYTD-NSHDSACASA-N 3 2 265.361 -0.276 20 0 CBADLP [NH3+]C1(C(=O)N2C[C@@H]3COC[C@H](C2)C3(F)F)CC[NH2+]CC1 ZINC001160760426 815669222 /nfs/dbraw/zinc/66/92/22/815669222.db2.gz LLMJEZNEBALRLO-AOOOYVTPSA-N 2 2 289.326 -0.193 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1C[C@@H]2C[C@H]1[C@H](C(F)(F)F)O2 ZINC001160766615 815669291 /nfs/dbraw/zinc/66/92/91/815669291.db2.gz VYZNZOPPGGCATP-VCQFTWBDSA-N 2 2 279.262 -0.536 20 0 CBADLP COC(=O)C[C@@H]1CCCN(C(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)C1 ZINC001160834137 815676450 /nfs/dbraw/zinc/67/64/50/815676450.db2.gz YGOURZYGTWODQA-SLEUVZQESA-N 2 2 295.383 -0.260 20 0 CBADLP CCOC(=O)[C@H]1[C@@H]2CN(C(=O)[C@@H]([NH3+])Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC001160879421 815683999 /nfs/dbraw/zinc/68/39/99/815683999.db2.gz SIWOZUYVSPEMOH-WHOHXGKFSA-N 2 2 292.339 -0.453 20 0 CBADLP CCOC(=O)[C@H]1[C@@H]2CN(C(=O)[C@@]34CC[C@@H]([NH2+]3)[C@H]([NH3+])C4)C[C@@H]21 ZINC001160884095 815685674 /nfs/dbraw/zinc/68/56/74/815685674.db2.gz OWFKCDNPPJZJOG-PAFNWGCTSA-N 2 2 293.367 -0.524 20 0 CBADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N(CCO)CC(F)(F)F ZINC001160908958 815687424 /nfs/dbraw/zinc/68/74/24/815687424.db2.gz GPJVDOAPYMYBBP-MRVPVSSYSA-N 2 2 280.250 -0.337 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1C[C@H]([NH3+])CC(F)(F)C1 ZINC001160967227 815691818 /nfs/dbraw/zinc/69/18/18/815691818.db2.gz LNVXHRBSUHCCHJ-SCZZXKLOSA-N 3 2 287.314 -0.515 20 0 CBADLP [NH3+][C@@H]1CN(C(=O)C2([NH3+])CC[NH2+]CC2)CC(F)(F)C1 ZINC001160971338 815692395 /nfs/dbraw/zinc/69/23/95/815692395.db2.gz FUAUIUXIVPPNGZ-QMMMGPOBSA-N 3 2 262.304 -0.738 20 0 CBADLP [NH3+][C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)CC(F)(F)C1 ZINC001160969279 815692573 /nfs/dbraw/zinc/69/25/73/815692573.db2.gz ZHWGNYGJMFUYDM-HOTUBEGUSA-N 3 2 274.315 -0.867 20 0 CBADLP [NH3+][C@@H]1C[C@]2(C(=O)N3C[C@H]([NH3+])CC(F)(F)C3)CC[C@H]1[NH2+]2 ZINC001160968661 815693332 /nfs/dbraw/zinc/69/33/32/815693332.db2.gz UITQYTBOJGXASI-CDLYGTGVSA-N 3 2 274.315 -0.597 20 0 CBADLP COC(=O)[C@@H]([NH3+])CC(=O)N1C[C@H]([NH3+])CC(F)(F)C1 ZINC001160969226 815693531 /nfs/dbraw/zinc/69/35/31/815693531.db2.gz XPPMXHXTMLBTJZ-RQJHMYQMSA-N 2 2 265.260 -0.928 20 0 CBADLP CN(C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001161057849 815705189 /nfs/dbraw/zinc/70/51/89/815705189.db2.gz IAKPVJAGKLTUTQ-NWBUJAPZSA-N 3 2 266.389 -0.335 20 0 CBADLP CN(C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001161057848 815705235 /nfs/dbraw/zinc/70/52/35/815705235.db2.gz IAKPVJAGKLTUTQ-JZRPKSSGSA-N 3 2 266.389 -0.335 20 0 CBADLP CN(C(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1)C1(C)CC[NH2+]CC1 ZINC001161068917 815707381 /nfs/dbraw/zinc/70/73/81/815707381.db2.gz XYJKOJNNKVWNIZ-LLVKDONJSA-N 3 2 265.361 -0.120 20 0 CBADLP CN(C(=O)C1([NH3+])CC[NH2+]CC1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001161064958 815707610 /nfs/dbraw/zinc/70/76/10/815707610.db2.gz UGRAJCKQLWISQT-QWRGUYRKSA-N 3 2 254.378 -0.204 20 0 CBADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)C[NH2+]C3CC[NH2+]CC3)C[C@@H]21 ZINC001161081242 815708679 /nfs/dbraw/zinc/70/86/79/815708679.db2.gz HYRSRIUNPUSBMU-OCCSQVGLSA-N 3 2 280.416 -0.119 20 0 CBADLP C[N@H+]1CCC[C@@H]2CN(C(=O)C[NH2+]C3CC[NH2+]CC3)C[C@@H]21 ZINC001161081242 815708683 /nfs/dbraw/zinc/70/86/83/815708683.db2.gz HYRSRIUNPUSBMU-OCCSQVGLSA-N 3 2 280.416 -0.119 20 0 CBADLP Cn1ccc2c1nc[nH+]c2NCCN(CC[NH3+])N(O)N=O ZINC001161087727 815713365 /nfs/dbraw/zinc/71/33/65/815713365.db2.gz QEUQKKGHSBRHJP-UHFFFAOYSA-N 2 2 294.319 -0.072 20 0 CBADLP CC(=O)N1CCC[C@H](N(C)C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)C1 ZINC001161129014 815717440 /nfs/dbraw/zinc/71/74/40/815717440.db2.gz CXYGCMSEFORART-XDQVBPFNSA-N 2 2 294.399 -0.594 20 0 CBADLP CC(=O)N1CCC[C@@H](N(C)C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])C1 ZINC001161131575 815718541 /nfs/dbraw/zinc/71/85/41/815718541.db2.gz QQGNMIFMEZXBFL-WOPDTQHZSA-N 2 2 268.361 -0.998 20 0 CBADLP CNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001161209335 815727657 /nfs/dbraw/zinc/72/76/57/815727657.db2.gz IDXGTIDOYFTRCY-LLVKDONJSA-N 2 2 293.371 -0.713 20 0 CBADLP CNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001161209336 815727851 /nfs/dbraw/zinc/72/78/51/815727851.db2.gz IDXGTIDOYFTRCY-NSHDSACASA-N 2 2 293.371 -0.713 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CCC(C2CC[NH2+]CC2)CC1 ZINC001161210633 815727918 /nfs/dbraw/zinc/72/79/18/815727918.db2.gz WOVWRNAUMDIYHX-KBPBESRZSA-N 3 2 280.416 -0.229 20 0 CBADLP CN(C(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2)[C@H]1CCC2(C1)OCCO2 ZINC001161218653 815728971 /nfs/dbraw/zinc/72/89/71/815728971.db2.gz KCMMJOGABYNQSH-XUJVJEKNSA-N 2 2 295.383 -0.308 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCC[C@H](n3ccnn3)C2)C1 ZINC001161234596 815730784 /nfs/dbraw/zinc/73/07/84/815730784.db2.gz DSBUHQJQRRCSNL-VWYCJHECSA-N 2 2 264.333 -0.869 20 0 CBADLP COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)C=C1CC[NH2+]CC1 ZINC001161236266 815732329 /nfs/dbraw/zinc/73/23/29/815732329.db2.gz CANIWGFROJYKTE-GFCCVEGCSA-N 2 2 281.356 -0.388 20 0 CBADLP COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)C=C1CC[NH2+]CC1 ZINC001161236266 815732334 /nfs/dbraw/zinc/73/23/34/815732334.db2.gz CANIWGFROJYKTE-GFCCVEGCSA-N 2 2 281.356 -0.388 20 0 CBADLP COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)C[C@H]1CCC[NH2+]C1 ZINC001161237238 815732906 /nfs/dbraw/zinc/73/29/06/815732906.db2.gz JPQBBLOGUUYIEF-VXGBXAGGSA-N 2 2 283.372 -0.308 20 0 CBADLP COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)C[C@H]1CCC[NH2+]C1 ZINC001161237238 815732910 /nfs/dbraw/zinc/73/29/10/815732910.db2.gz JPQBBLOGUUYIEF-VXGBXAGGSA-N 2 2 283.372 -0.308 20 0 CBADLP CC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)C1 ZINC001161270043 815735608 /nfs/dbraw/zinc/73/56/08/815735608.db2.gz HOXVMNBQUWUUOG-QNWHQSFQSA-N 2 2 280.372 -0.937 20 0 CBADLP CC(=O)N[C@@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)C1 ZINC001161269882 815735923 /nfs/dbraw/zinc/73/59/23/815735923.db2.gz FGSJIFCUZLRRAB-SCRDCRAPSA-N 2 2 280.372 -0.935 20 0 CBADLP COc1cc(N2CCN(C(=O)[C@@H]3COC[NH2+]3)CC2)cc[nH+]1 ZINC001161305895 815737778 /nfs/dbraw/zinc/73/77/78/815737778.db2.gz BZMSCCXVIQOMNL-LBPRGKRZSA-N 2 2 292.339 -0.315 20 0 CBADLP CNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001161300383 815738273 /nfs/dbraw/zinc/73/82/73/815738273.db2.gz LFXRNRZTMDPFPU-NSHDSACASA-N 2 2 293.371 -0.713 20 0 CBADLP CCN(C(=O)C1([NH3+])CC[NH2+]CC1)[C@@H]1CCC[NH2+]C1 ZINC001161331278 815741148 /nfs/dbraw/zinc/74/11/48/815741148.db2.gz VYVKQLHKWAPWQC-LLVKDONJSA-N 3 2 254.378 -0.332 20 0 CBADLP COC(=O)[C@@]1(C)COCCN1C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001161372580 815747817 /nfs/dbraw/zinc/74/78/17/815747817.db2.gz LCDXUWILXDOXTN-GXFFZTMASA-N 2 2 296.327 -0.930 20 0 CBADLP [NH3+]C1CC[NH+]([C@@H]2CCN(C(=O)C3([NH3+])CC3)C2)CC1 ZINC001161377607 815748111 /nfs/dbraw/zinc/74/81/11/815748111.db2.gz IWIBHYJYRMMVNZ-LLVKDONJSA-N 3 2 252.362 -0.498 20 0 CBADLP [NH3+][C@@H](CC(F)F)C(=O)N1CC[C@@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161377202 815748181 /nfs/dbraw/zinc/74/81/81/815748181.db2.gz GBNLBKYUGOBJEH-MNOVXSKESA-N 3 2 290.358 -0.007 20 0 CBADLP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CC[C@@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161378896 815748828 /nfs/dbraw/zinc/74/88/28/815748828.db2.gz NXTAYUSHXCVZMF-CHWSQXEVSA-N 4 2 283.420 -0.923 20 0 CBADLP COC(=O)[C@@H]([NH3+])CC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC001161412489 815751027 /nfs/dbraw/zinc/75/10/27/815751027.db2.gz KQYGYEPCMDVDDP-JXUBOQSCSA-N 2 2 255.318 -0.928 20 0 CBADLP [NH3+][C@@H]1CC[C@H]2CN(C(=O)[C@@]34CC[C@@H]([NH2+]3)[C@H]([NH3+])C4)C[C@H]12 ZINC001161412436 815751199 /nfs/dbraw/zinc/75/11/99/815751199.db2.gz KGSFZIPCGGQUNC-NSPKLCQLSA-N 3 2 264.373 -0.596 20 0 CBADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H]2[C@H]([NH3+])CC[C@@H]2C1 ZINC001161412044 815751222 /nfs/dbraw/zinc/75/12/22/815751222.db2.gz FKLXWOSKLZKZHL-KLHWPWHYSA-N 3 2 263.345 -0.525 20 0 CBADLP COC(=O)[C@@H]([NH3+])CC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001161412492 815751726 /nfs/dbraw/zinc/75/17/26/815751726.db2.gz KQYGYEPCMDVDDP-QEYWKRMJSA-N 2 2 255.318 -0.928 20 0 CBADLP COC(=O)[C@H]1CN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)C[C@@H]1C ZINC001161459228 815757338 /nfs/dbraw/zinc/75/73/38/815757338.db2.gz BDINPQSNRZKALZ-MCSZRVDOSA-N 2 2 281.356 -0.524 20 0 CBADLP N[C@@H](C[NH3+])C(=O)N1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001161470600 815758928 /nfs/dbraw/zinc/75/89/28/815758928.db2.gz IDDWHPRUOZTHPL-VHSXEESVSA-N 2 2 276.331 -0.396 20 0 CBADLP COC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@@](C)(C[NH3+])C1 ZINC001161490282 815761726 /nfs/dbraw/zinc/76/17/26/815761726.db2.gz WYNALIQADJXKLZ-CABZTGNLSA-N 2 2 257.334 -0.536 20 0 CBADLP C[C@]1(C(=O)N2C[C@@H]([NH3+])C3(COC3)C2)CC(F)(F)C[NH2+]1 ZINC001161510997 815764638 /nfs/dbraw/zinc/76/46/38/815764638.db2.gz UQQZIULLRHYNKS-PSASIEDQSA-N 2 2 275.299 -0.440 20 0 CBADLP C[N@@H+]1CCO[C@@H](CNc2ncc3c(n2)C[NH2+]CC3)C1 ZINC001162680571 815838365 /nfs/dbraw/zinc/83/83/65/815838365.db2.gz LYXNEWMJVCMUDE-NSHDSACASA-N 2 2 263.345 -0.135 20 0 CBADLP C[N@H+]1CCO[C@@H](CNc2ncc3c(n2)C[NH2+]CC3)C1 ZINC001162680571 815838375 /nfs/dbraw/zinc/83/83/75/815838375.db2.gz LYXNEWMJVCMUDE-NSHDSACASA-N 2 2 263.345 -0.135 20 0 CBADLP C[N@@H+]1CCO[C@H](CNc2nccc(C3C[NH2+]C3)n2)C1 ZINC001162683244 815839052 /nfs/dbraw/zinc/83/90/52/815839052.db2.gz BYHYRNZJSVQVJC-LLVKDONJSA-N 2 2 263.345 -0.094 20 0 CBADLP C[N@H+]1CCO[C@H](CNc2nccc(C3C[NH2+]C3)n2)C1 ZINC001162683244 815839058 /nfs/dbraw/zinc/83/90/58/815839058.db2.gz BYHYRNZJSVQVJC-LLVKDONJSA-N 2 2 263.345 -0.094 20 0 CBADLP COC[C@@H](O)C[NH2+]CCCNC(=O)CCc1[nH+]ccn1C ZINC001163044116 815855426 /nfs/dbraw/zinc/85/54/26/815855426.db2.gz JUYMDCJKDAHURJ-LBPRGKRZSA-N 2 2 298.387 -0.544 20 0 CBADLP NC(=O)c1c[nH]c2nc[nH+]c(NC[C@@]34C[NH2+][C@@H](CO3)C4)c12 ZINC001163196440 815864590 /nfs/dbraw/zinc/86/45/90/815864590.db2.gz CYHXOLDDKUNUKV-FUXBKTLASA-N 2 2 288.311 -0.400 20 0 CBADLP CCN(C)c1cc(N[C@@]23CC[NH2+][C@H]2CC(=O)N3)nc[nH+]1 ZINC001163237416 815868506 /nfs/dbraw/zinc/86/85/06/815868506.db2.gz KYGPVXVVOBCAOA-TVQRCGJNSA-N 2 2 276.344 -0.077 20 0 CBADLP CN(C)C(=O)C[NH2+]CCCNC(=O)CCn1cc[nH+]c1 ZINC001163593619 815890406 /nfs/dbraw/zinc/89/04/06/815890406.db2.gz NPVQPDFWZVRANN-UHFFFAOYSA-N 2 2 281.360 -0.543 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1C[C@@H]([NH2+]CCO)C1 ZINC001316626033 816872360 /nfs/dbraw/zinc/87/23/60/816872360.db2.gz LZYUQDGGKQJWCU-PHIMTYICSA-N 2 2 266.345 -0.263 20 0 CBADLP Cn1ncc(C[N@H+](C)CCCNC(=O)[C@H]2CCC[NH+]2C)n1 ZINC001316814957 816880352 /nfs/dbraw/zinc/88/03/52/816880352.db2.gz ICTKWEMYWNVBRS-CYBMUJFWSA-N 2 2 294.403 -0.153 20 0 CBADLP Cn1ncc(C[N@@H+](C)CCCNC(=O)[C@H]2CCC[NH+]2C)n1 ZINC001316814957 816880359 /nfs/dbraw/zinc/88/03/59/816880359.db2.gz ICTKWEMYWNVBRS-CYBMUJFWSA-N 2 2 294.403 -0.153 20 0 CBADLP Cn1ncc(C[NH+](C)CCCNC(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001316814957 816880365 /nfs/dbraw/zinc/88/03/65/816880365.db2.gz ICTKWEMYWNVBRS-CYBMUJFWSA-N 2 2 294.403 -0.153 20 0 CBADLP Cn1ncc(C[NH+](C)CCCNC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001316814957 816880371 /nfs/dbraw/zinc/88/03/71/816880371.db2.gz ICTKWEMYWNVBRS-CYBMUJFWSA-N 2 2 294.403 -0.153 20 0 CBADLP C[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001316982987 816914778 /nfs/dbraw/zinc/91/47/78/816914778.db2.gz MMYFQWUYNNLQPD-PWSUYJOCSA-N 2 2 266.345 -0.086 20 0 CBADLP C[C@@H](O)C[N@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001316982987 816914785 /nfs/dbraw/zinc/91/47/85/816914785.db2.gz MMYFQWUYNNLQPD-PWSUYJOCSA-N 2 2 266.345 -0.086 20 0 CBADLP C[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001316982987 816914791 /nfs/dbraw/zinc/91/47/91/816914791.db2.gz MMYFQWUYNNLQPD-PWSUYJOCSA-N 2 2 266.345 -0.086 20 0 CBADLP C[C@@H](O)C[N@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001316982987 816914795 /nfs/dbraw/zinc/91/47/95/816914795.db2.gz MMYFQWUYNNLQPD-PWSUYJOCSA-N 2 2 266.345 -0.086 20 0 CBADLP C[C@@H](O)C[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001316982988 816915022 /nfs/dbraw/zinc/91/50/22/816915022.db2.gz MMYFQWUYNNLQPD-ZYHUDNBSSA-N 2 2 266.345 -0.086 20 0 CBADLP C[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001316982988 816915028 /nfs/dbraw/zinc/91/50/28/816915028.db2.gz MMYFQWUYNNLQPD-ZYHUDNBSSA-N 2 2 266.345 -0.086 20 0 CBADLP C[C@@H](O)C[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001316982988 816915032 /nfs/dbraw/zinc/91/50/32/816915032.db2.gz MMYFQWUYNNLQPD-ZYHUDNBSSA-N 2 2 266.345 -0.086 20 0 CBADLP C[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001316982988 816915039 /nfs/dbraw/zinc/91/50/39/816915039.db2.gz MMYFQWUYNNLQPD-ZYHUDNBSSA-N 2 2 266.345 -0.086 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)[NH2+]CCCO ZINC001317257140 816951911 /nfs/dbraw/zinc/95/19/11/816951911.db2.gz SGXPAVNHODBWCZ-NWDGAFQWSA-N 2 2 280.372 -0.078 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)NCC[N@@H+](CCO)C1CC1 ZINC001317551562 817008320 /nfs/dbraw/zinc/00/83/20/817008320.db2.gz LEVAFBZQGZKMGF-UHFFFAOYSA-N 2 2 266.345 -0.085 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)NCC[N@H+](CCO)C1CC1 ZINC001317551562 817008325 /nfs/dbraw/zinc/00/83/25/817008325.db2.gz LEVAFBZQGZKMGF-UHFFFAOYSA-N 2 2 266.345 -0.085 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)NCC[N@@H+](CCO)C1CC1 ZINC001317551562 817008333 /nfs/dbraw/zinc/00/83/33/817008333.db2.gz LEVAFBZQGZKMGF-UHFFFAOYSA-N 2 2 266.345 -0.085 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)NCC[N@H+](CCO)C1CC1 ZINC001317551562 817008341 /nfs/dbraw/zinc/00/83/41/817008341.db2.gz LEVAFBZQGZKMGF-UHFFFAOYSA-N 2 2 266.345 -0.085 20 0 CBADLP C[C@H](O)C[N@H+](CCNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001317560414 817010276 /nfs/dbraw/zinc/01/02/76/817010276.db2.gz LQLWAHKZTSYDEJ-NSHDSACASA-N 2 2 266.345 -0.156 20 0 CBADLP C[C@H](O)C[N@@H+](CCNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001317560414 817010286 /nfs/dbraw/zinc/01/02/86/817010286.db2.gz LQLWAHKZTSYDEJ-NSHDSACASA-N 2 2 266.345 -0.156 20 0 CBADLP Cc1cn(C(C)(C)C(=O)N(C)CC[NH2+]CC(N)=O)c[nH+]1 ZINC001317598381 817026691 /nfs/dbraw/zinc/02/66/91/817026691.db2.gz HMNYIACCADBSTN-UHFFFAOYSA-N 2 2 281.360 -0.540 20 0 CBADLP CN(CC[NH2+]CCO)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001317606468 817027703 /nfs/dbraw/zinc/02/77/03/817027703.db2.gz PGQVXCMCEMPREO-LLVKDONJSA-N 2 2 266.345 -0.514 20 0 CBADLP CN(C)C(=O)C[NH2+]CCN(C)C(=O)CCc1[nH+]ccn1C ZINC001317613607 817028988 /nfs/dbraw/zinc/02/89/88/817028988.db2.gz PNUBXWGSNADJAD-UHFFFAOYSA-N 2 2 295.387 -0.511 20 0 CBADLP CN(CC[NH2+]CCN1CCNC1=O)C(=O)Cc1c[nH+]c[nH]1 ZINC001317634068 817034195 /nfs/dbraw/zinc/03/41/95/817034195.db2.gz MRCITZYXRXWXCZ-UHFFFAOYSA-N 2 2 294.359 -0.975 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CC(N)=O)C2)CC1 ZINC001318858744 817144083 /nfs/dbraw/zinc/14/40/83/817144083.db2.gz ZBVRXOMCLBVHQT-JTQLQIEISA-N 2 2 268.361 -0.854 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CC(N)=O)C2)CC1 ZINC001318858744 817144089 /nfs/dbraw/zinc/14/40/89/817144089.db2.gz ZBVRXOMCLBVHQT-JTQLQIEISA-N 2 2 268.361 -0.854 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)C[NH2+]C[C@@H](C)O ZINC001319272131 817185233 /nfs/dbraw/zinc/18/52/33/817185233.db2.gz QFRCUSKPNPUERM-VHSXEESVSA-N 2 2 268.361 -0.017 20 0 CBADLP C[C@@H](C(=O)NC[C@](C)(O)C[NH+](C)C)n1cc[nH+]c1 ZINC001319534217 817215966 /nfs/dbraw/zinc/21/59/66/817215966.db2.gz AAMPYNYKZBPOAO-JQWIXIFHSA-N 2 2 254.334 -0.127 20 0 CBADLP COCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001320271155 817309489 /nfs/dbraw/zinc/30/94/89/817309489.db2.gz BPUFZOVIFSRMII-IJLUTSLNSA-N 2 2 296.371 -0.763 20 0 CBADLP C[C@H](CC[NH2+]CC(=O)N1CCC1)NC(=O)Cn1cc[nH+]c1 ZINC001320652281 817367976 /nfs/dbraw/zinc/36/79/76/817367976.db2.gz KNGAHXJCSGEVTJ-GFCCVEGCSA-N 2 2 293.371 -0.400 20 0 CBADLP CCN(CC[NH2+]Cc1nnnn1C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001320817321 817397795 /nfs/dbraw/zinc/39/77/95/817397795.db2.gz FKPJDHBJPKJOIQ-LLVKDONJSA-N 2 2 295.391 -0.758 20 0 CBADLP CCN(CC[NH2+]Cc1nnnn1C)C(=O)[C@H]1CCC[N@H+]1C ZINC001320817321 817397807 /nfs/dbraw/zinc/39/78/07/817397807.db2.gz FKPJDHBJPKJOIQ-LLVKDONJSA-N 2 2 295.391 -0.758 20 0 CBADLP C[NH+](C)CC(=O)NCCCCN1CC[NH+](C)CC1 ZINC001320923768 817412720 /nfs/dbraw/zinc/41/27/20/817412720.db2.gz SZHLLPGDURAKGF-UHFFFAOYSA-N 2 2 256.394 -0.308 20 0 CBADLP C[S@](=O)CC[C@H]([NH3+])C(=O)NC1C[NH+](C(C)(C)C)C1 ZINC001221194481 825152396 /nfs/dbraw/zinc/15/23/96/825152396.db2.gz REAWQPKXSQQDFH-YPMLDQLKSA-N 2 2 275.418 -0.319 20 0 CBADLP C[NH2+]Cc1cc(N[C@@H]2C[NH2+][C@H](C(=O)OC)C2)ncn1 ZINC001164305795 819908399 /nfs/dbraw/zinc/90/83/99/819908399.db2.gz BIAUUMNQHRXRBH-UWVGGRQHSA-N 2 2 265.317 -0.489 20 0 CBADLP COC(=O)[C@@H]1C[C@H](Nc2cnc(C[NH3+])nc2)C[NH2+]1 ZINC001164308149 819908631 /nfs/dbraw/zinc/90/86/31/819908631.db2.gz AMAAXHFSZIAMDC-CBAPKCEASA-N 2 2 251.290 -0.749 20 0 CBADLP C[NH+]1CCN(c2cccc(N3C[C@H](CO)[C@H](O)C3)[nH+]2)CC1 ZINC001164544994 819925021 /nfs/dbraw/zinc/92/50/21/819925021.db2.gz OBIQHZLCGXMENC-CHWSQXEVSA-N 2 2 292.383 -0.377 20 0 CBADLP OC[C@@H]1CN(c2ccc(N3CC[NH2+]CC3)c[nH+]2)C[C@@H]1O ZINC001164546242 819926668 /nfs/dbraw/zinc/92/66/68/819926668.db2.gz ZIRWUKUWOAIFPE-AAEUAGOBSA-N 2 2 278.356 -0.719 20 0 CBADLP c1nc(N2CCOCC23C[NH2+]C3)cc(N2CCOCC2)[nH+]1 ZINC001165287750 819948898 /nfs/dbraw/zinc/94/88/98/819948898.db2.gz QSPHYZFJDMNEBH-UHFFFAOYSA-N 2 2 291.355 -0.508 20 0 CBADLP [NH3+][C@H]1[C@H]2CN(c3cc(N4CCOCC4)nc[nH+]3)C[C@@H]12 ZINC001165383277 819960395 /nfs/dbraw/zinc/96/03/95/819960395.db2.gz UYQXZYPOCLPRSM-DDFAGTSDSA-N 2 2 261.329 -0.294 20 0 CBADLP [NH3+][C@H]1[C@H]2CN(c3cc(N4CCOCC4)[nH+]cn3)C[C@@H]12 ZINC001165383277 819960401 /nfs/dbraw/zinc/96/04/01/819960401.db2.gz UYQXZYPOCLPRSM-DDFAGTSDSA-N 2 2 261.329 -0.294 20 0 CBADLP C[C@H]1CC[N@H+](CC(=O)NCCC[NH2+]Cc2nnn(C)n2)C1 ZINC001166668341 820014599 /nfs/dbraw/zinc/01/45/99/820014599.db2.gz ZIEWQRZYXHSLBK-NSHDSACASA-N 2 2 295.391 -0.852 20 0 CBADLP C[C@H]1CC[N@@H+](CC(=O)NCCC[NH2+]Cc2nnn(C)n2)C1 ZINC001166668341 820014607 /nfs/dbraw/zinc/01/46/07/820014607.db2.gz ZIEWQRZYXHSLBK-NSHDSACASA-N 2 2 295.391 -0.852 20 0 CBADLP COC(=O)C1([NH3+])CCN(c2cc[nH+]c(N)n2)CC1 ZINC001166797648 820038567 /nfs/dbraw/zinc/03/85/67/820038567.db2.gz UXYSJNAMNCYCON-UHFFFAOYSA-N 2 2 251.290 -0.471 20 0 CBADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC[NH2+]CC(N)=O ZINC001166960989 820054411 /nfs/dbraw/zinc/05/44/11/820054411.db2.gz MLOHNZNXZCWSRF-NXEZZACHSA-N 2 2 279.344 -0.895 20 0 CBADLP CN(c1cc(N2CCC[C@@H]2C(N)=O)[nH+]cn1)C1C[NH2+]C1 ZINC001166983360 820059994 /nfs/dbraw/zinc/05/99/94/820059994.db2.gz VEADHGAVRNAPEV-SNVBAGLBSA-N 2 2 276.344 -0.661 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NCCC[NH2+]CC(=O)N1CCC1 ZINC001167352628 820082279 /nfs/dbraw/zinc/08/22/79/820082279.db2.gz HIQQIFBBIISHIN-UHFFFAOYSA-N 2 2 279.344 -0.720 20 0 CBADLP C[NH+]1CCN(c2ccc(-n3cnc(C[NH3+])cc3=N)nc2)CC1 ZINC001167361772 820084755 /nfs/dbraw/zinc/08/47/55/820084755.db2.gz BSEDQLATPYTRAH-UHFFFAOYSA-N 2 2 299.382 -0.043 20 0 CBADLP NC(=O)C[NH2+]CC1(CCNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001167529024 820100928 /nfs/dbraw/zinc/10/09/28/820100928.db2.gz VWFWCRXJLGFGHS-UHFFFAOYSA-N 2 2 279.344 -0.686 20 0 CBADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(NC(CO)(CO)CO)c2)C1 ZINC001167932203 820133871 /nfs/dbraw/zinc/13/38/71/820133871.db2.gz XNSVKINLFJHGHE-CYBMUJFWSA-N 2 2 295.383 -0.653 20 0 CBADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(NC(CO)(CO)CO)c2)C1 ZINC001167932203 820133877 /nfs/dbraw/zinc/13/38/77/820133877.db2.gz XNSVKINLFJHGHE-CYBMUJFWSA-N 2 2 295.383 -0.653 20 0 CBADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCC[NH2+]CCO ZINC001167976761 820136704 /nfs/dbraw/zinc/13/67/04/820136704.db2.gz DXRJBEZKNOPVHH-JTQLQIEISA-N 2 2 254.334 -0.324 20 0 CBADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCC[NH2+]CCO ZINC001167976761 820136709 /nfs/dbraw/zinc/13/67/09/820136709.db2.gz DXRJBEZKNOPVHH-JTQLQIEISA-N 2 2 254.334 -0.324 20 0 CBADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCC[NH2+]CC(N)=O ZINC001167978211 820136936 /nfs/dbraw/zinc/13/69/36/820136936.db2.gz KUKTYNRJYITOGF-VIFPVBQESA-N 2 2 267.333 -0.831 20 0 CBADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCC[NH2+]CC(N)=O ZINC001167978211 820136943 /nfs/dbraw/zinc/13/69/43/820136943.db2.gz KUKTYNRJYITOGF-VIFPVBQESA-N 2 2 267.333 -0.831 20 0 CBADLP CNC(=O)C[NH2+]CCCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001167978188 820137076 /nfs/dbraw/zinc/13/70/76/820137076.db2.gz KPXYTCIYRJRYJI-SNVBAGLBSA-N 2 2 281.360 -0.570 20 0 CBADLP CNC(=O)C[NH2+]CCCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001167978188 820137084 /nfs/dbraw/zinc/13/70/84/820137084.db2.gz KPXYTCIYRJRYJI-SNVBAGLBSA-N 2 2 281.360 -0.570 20 0 CBADLP COC[C@H](O)C[NH2+]CCCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001167980064 820137925 /nfs/dbraw/zinc/13/79/25/820137925.db2.gz ZVIPSJPBHKTRSJ-DGCLKSJQSA-N 2 2 298.387 -0.309 20 0 CBADLP COC[C@H](O)C[NH2+]CCCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001167980064 820137929 /nfs/dbraw/zinc/13/79/29/820137929.db2.gz ZVIPSJPBHKTRSJ-DGCLKSJQSA-N 2 2 298.387 -0.309 20 0 CBADLP CN1CCOc2c(NC(=[NH2+])N3CC[NH+](C)CC3)nncc21 ZINC001168735519 820169687 /nfs/dbraw/zinc/16/96/87/820169687.db2.gz RVTYDXXORGSCHJ-UHFFFAOYSA-N 2 2 291.359 -0.101 20 0 CBADLP C[NH+]1CCN(C(=[NH2+])Nc2cc3c(cn2)C(=O)NCC3)CC1 ZINC001168746523 820171893 /nfs/dbraw/zinc/17/18/93/820171893.db2.gz UUNAYRXVPRNJKO-UHFFFAOYSA-N 2 2 288.355 -0.038 20 0 CBADLP C[NH+]1CCN(C(=[NH2+])Nc2c[nH]c3c[nH]c(=O)c-3c2)CC1 ZINC001168740113 820172922 /nfs/dbraw/zinc/17/29/22/820172922.db2.gz CXIJWLJZFZUMBJ-UHFFFAOYSA-N 2 2 274.328 -0.081 20 0 CBADLP COC(=O)c1cnccc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169074727 820204535 /nfs/dbraw/zinc/20/45/35/820204535.db2.gz LLRHQMNSZVRFEK-SECBINFHSA-N 2 2 276.296 -0.084 20 0 CBADLP Nc1cc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)ncc1F ZINC001169071835 820204546 /nfs/dbraw/zinc/20/45/46/820204546.db2.gz NCQGACOMBHCCBS-SSDOTTSWSA-N 2 2 251.265 -0.149 20 0 CBADLP CC(=O)Nc1cncc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001169072783 820204562 /nfs/dbraw/zinc/20/45/62/820204562.db2.gz YGQXTUVSDVQQCS-SECBINFHSA-N 2 2 276.300 -0.517 20 0 CBADLP C[NH2+]Cc1cc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)ncn1 ZINC001169072506 820205566 /nfs/dbraw/zinc/20/55/66/820205566.db2.gz UJTLRFBRLUIKFY-SECBINFHSA-N 3 2 262.317 -0.756 20 0 CBADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cn2ncnc2cn1 ZINC001169073773 820205633 /nfs/dbraw/zinc/20/56/33/820205633.db2.gz KWHMONRQRLGRCF-MRVPVSSYSA-N 2 2 259.273 -0.828 20 0 CBADLP COc1ncnc(C)c1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169075125 820205652 /nfs/dbraw/zinc/20/56/52/820205652.db2.gz WAVIWDLZUIPJMA-SECBINFHSA-N 2 2 263.301 -0.159 20 0 CBADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cc2c(cn1)C(=O)NCC2 ZINC001169076707 820207091 /nfs/dbraw/zinc/20/70/91/820207091.db2.gz VFPOBADRKPWNHX-SNVBAGLBSA-N 2 2 287.323 -0.585 20 0 CBADLP NC(=O)Cc1ccccc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169075516 820207203 /nfs/dbraw/zinc/20/72/03/820207203.db2.gz SEESYCMKAUYCCN-LLVKDONJSA-N 2 2 274.324 -0.238 20 0 CBADLP CCCCNC(=O)C[NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001169203757 820212244 /nfs/dbraw/zinc/21/22/44/820212244.db2.gz BJOOMMJLFWTZJG-UHFFFAOYSA-N 2 2 295.387 -0.036 20 0 CBADLP CC(C)NC(=O)C[NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001169203755 820213329 /nfs/dbraw/zinc/21/33/29/820213329.db2.gz BISAFDWAKZLWEQ-UHFFFAOYSA-N 2 2 281.360 -0.427 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NCCC[NH2+][C@@H]1CCCNC1=O ZINC001169205254 820214631 /nfs/dbraw/zinc/21/46/31/820214631.db2.gz WFCKIZKBXBCILF-SNVBAGLBSA-N 2 2 279.344 -0.673 20 0 CBADLP CN1CCC[C@@H]([NH2+]CCCNC(=O)Cc2[nH]cc[nH+]2)C1=O ZINC001169204823 820215099 /nfs/dbraw/zinc/21/50/99/820215099.db2.gz RZJFYYOASASRFR-LLVKDONJSA-N 2 2 293.371 -0.331 20 0 CBADLP C[C@@H]([NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1)C(=O)NC1CC1 ZINC001169228575 820215185 /nfs/dbraw/zinc/21/51/85/820215185.db2.gz LFRHBHBAAZEDQZ-SNVBAGLBSA-N 2 2 293.371 -0.285 20 0 CBADLP CC(=O)N1CCC[C@@H]([NH+]2CC(N3CC[NH+](C)CC3)C2)C1 ZINC001169632195 820261650 /nfs/dbraw/zinc/26/16/50/820261650.db2.gz YROPUUGFKHPZSI-CQSZACIVSA-N 2 2 280.416 -0.071 20 0 CBADLP CN1CCOc2c1cn[nH+]c2NC[C@H]1COCC[NH2+]1 ZINC001170040684 820276017 /nfs/dbraw/zinc/27/60/17/820276017.db2.gz AEHKTZJVHLDHSR-VIFPVBQESA-N 2 2 265.317 -0.295 20 0 CBADLP C[NH+]1CC(CNc2nc(N3CC[NH2+]CC3)cc[nH+]2)C1 ZINC001170250106 820283281 /nfs/dbraw/zinc/28/32/81/820283281.db2.gz YJCBATHDRDBENJ-UHFFFAOYSA-N 3 2 262.361 -0.140 20 0 CBADLP OC[C@H]1C[C@@H](O)CN1c1[nH+]cccc1N1CC[NH2+]CC1 ZINC001170284305 820285846 /nfs/dbraw/zinc/28/58/46/820285846.db2.gz YSBACFMLMJDYLZ-VXGBXAGGSA-N 2 2 278.356 -0.577 20 0 CBADLP CC[C@]([NH3+])(CO)Nc1cc[nH+]c(N2CCC([NH3+])CC2)n1 ZINC001170859118 820328965 /nfs/dbraw/zinc/32/89/65/820328965.db2.gz NLQKMHJWYRPPSW-CYBMUJFWSA-N 3 2 280.376 -0.127 20 0 CBADLP CC[C@@]([NH3+])(CO)Nc1cc[nH+]c(N2CCC([NH3+])CC2)n1 ZINC001170859120 820329144 /nfs/dbraw/zinc/32/91/44/820329144.db2.gz NLQKMHJWYRPPSW-ZDUSSCGKSA-N 3 2 280.376 -0.127 20 0 CBADLP CCOC(=O)CN(CC[NH3+])c1ncnc2c1C[N@H+](C)CC2 ZINC001170993380 820341473 /nfs/dbraw/zinc/34/14/73/820341473.db2.gz WCMVREYBVDSGRI-UHFFFAOYSA-N 2 2 293.371 -0.207 20 0 CBADLP CCOC(=O)CN(CC[NH3+])c1ncnc2c1C[N@@H+](C)CC2 ZINC001170993380 820341481 /nfs/dbraw/zinc/34/14/81/820341481.db2.gz WCMVREYBVDSGRI-UHFFFAOYSA-N 2 2 293.371 -0.207 20 0 CBADLP Cn1ccc(C[NH2+]CCCNC(=O)Cc2c[nH+]cn2C)n1 ZINC001171238176 820352730 /nfs/dbraw/zinc/35/27/30/820352730.db2.gz NVFHLCLOSMAZHC-UHFFFAOYSA-N 2 2 290.371 -0.008 20 0 CBADLP Cn1cncc1C[NH2+]CCCNC(=O)Cc1c[nH+]cn1C ZINC001171238957 820353240 /nfs/dbraw/zinc/35/32/40/820353240.db2.gz UQAWGYHPSDGJBC-UHFFFAOYSA-N 2 2 290.371 -0.008 20 0 CBADLP COCCOCC[NH2+]CCCNC(=O)Cc1c[nH+]cn1C ZINC001171236753 820355386 /nfs/dbraw/zinc/35/53/86/820355386.db2.gz AHGIZGQDALYXCF-UHFFFAOYSA-N 2 2 298.387 -0.279 20 0 CBADLP C[NH+]1CCN(C(=[NH2+])N[C@H]2CCC[C@H](n3ncnn3)C2)CC1 ZINC001173743799 820409990 /nfs/dbraw/zinc/40/99/90/820409990.db2.gz RAWSVNCYCSVWDD-RYUDHWBXSA-N 2 2 292.391 -0.071 20 0 CBADLP C[NH+]1CCN(C(=[NH2+])N[C@@H]2CCC[C@H](n3ncnn3)C2)CC1 ZINC001173743796 820410459 /nfs/dbraw/zinc/41/04/59/820410459.db2.gz RAWSVNCYCSVWDD-NEPJUHHUSA-N 2 2 292.391 -0.071 20 0 CBADLP [NH3+]CC1([NH2+][C@@H]2CCC[C@@H](n3ncnn3)C2)COC1 ZINC001173742651 820410593 /nfs/dbraw/zinc/41/05/93/820410593.db2.gz ONDZPIQENVASCF-NXEZZACHSA-N 2 2 252.322 -0.526 20 0 CBADLP COC[C@H](O)C[NH2+]CCCNC(=O)Cc1[nH]c[nH+]c1C ZINC001174682604 820414949 /nfs/dbraw/zinc/41/49/49/820414949.db2.gz JXUCXABYPGVZIX-LLVKDONJSA-N 2 2 284.360 -0.636 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCCC[NH2+]CCCO ZINC001174691497 820415999 /nfs/dbraw/zinc/41/59/99/820415999.db2.gz MUPFCLHQRQVPRN-UHFFFAOYSA-N 2 2 254.334 -0.261 20 0 CBADLP CC[C@@H]([NH2+]CCCNC(=O)CCc1c[nH+]cn1C)C(N)=O ZINC001175011552 820420599 /nfs/dbraw/zinc/42/05/99/820420599.db2.gz IATIRYJSXNCLNI-GFCCVEGCSA-N 2 2 295.387 -0.288 20 0 CBADLP CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC(C)([NH+](C)C)C1 ZINC001176356324 820447812 /nfs/dbraw/zinc/44/78/12/820447812.db2.gz ZABSERWEKFWACG-GFCCVEGCSA-N 2 2 293.371 -0.381 20 0 CBADLP C[C@H](CCCC[NH2+]CC(N)=O)NC(=O)Cn1cc[nH+]c1 ZINC001176829852 820459335 /nfs/dbraw/zinc/45/93/35/820459335.db2.gz RRHFUWJVZBGLOO-LLVKDONJSA-N 2 2 281.360 -0.367 20 0 CBADLP C[NH+](C)CCCC(=O)N1CC[C@H]2OCC[N@H+](CCO)[C@H]2C1 ZINC001177087870 820493225 /nfs/dbraw/zinc/49/32/25/820493225.db2.gz HAWLVOGNYIJWAT-UONOGXRCSA-N 2 2 299.415 -0.378 20 0 CBADLP C[NH+](C)CCCC(=O)N1CC[C@H]2OCC[N@@H+](CCO)[C@H]2C1 ZINC001177087870 820493228 /nfs/dbraw/zinc/49/32/28/820493228.db2.gz HAWLVOGNYIJWAT-UONOGXRCSA-N 2 2 299.415 -0.378 20 0 CBADLP CCNC(=O)C[NH2+]CCCNC(=O)CCCn1cc[nH+]c1 ZINC001177351493 820506268 /nfs/dbraw/zinc/50/62/68/820506268.db2.gz FJSWJTNUBWPCOA-UHFFFAOYSA-N 2 2 295.387 -0.105 20 0 CBADLP C[C@H]([NH2+]CCCNC(=O)Cn1cc[nH+]c1)c1nncn1C ZINC001177405928 820513905 /nfs/dbraw/zinc/51/39/05/820513905.db2.gz SEOCOZRZCLXIIN-NSHDSACASA-N 2 2 291.359 -0.131 20 0 CBADLP O=C(Cn1cc[nH+]c1)NCCC[NH2+][C@@H]1CCCNC1=O ZINC001177405955 820513999 /nfs/dbraw/zinc/51/39/99/820513999.db2.gz SYHYQZROEFUQBA-LLVKDONJSA-N 2 2 279.344 -0.742 20 0 CBADLP CN(CC(=O)n1cnc(C[NH3+])cc1=N)c1cccc[nH+]1 ZINC001177414224 820514813 /nfs/dbraw/zinc/51/48/13/820514813.db2.gz WWLSBKIUYOLQQA-UHFFFAOYSA-N 2 2 272.312 -0.007 20 0 CBADLP C[C@H](C(=O)NCCN(CC[NH3+])N(O)N=O)n1cc[nH+]c1 ZINC001177929496 820549945 /nfs/dbraw/zinc/54/99/45/820549945.db2.gz MIDKSZJPOQHCAF-SECBINFHSA-N 2 2 285.308 -0.891 20 0 CBADLP CCOC(=O)CN(CC[NH3+])C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001178118698 820565133 /nfs/dbraw/zinc/56/51/33/820565133.db2.gz DJCVPCMXTYBFTD-NSHDSACASA-N 2 2 294.355 -0.204 20 0 CBADLP CNC(=O)C[NH2+][C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)[C@H]1C ZINC001178852848 820604959 /nfs/dbraw/zinc/60/49/59/820604959.db2.gz APZMGCPDKUIYJB-JQWIXIFHSA-N 2 2 293.371 -0.333 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001179007868 820613950 /nfs/dbraw/zinc/61/39/50/820613950.db2.gz DQENIHDOIMXAAO-SNVBAGLBSA-N 2 2 250.302 -0.528 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H]1C ZINC001179617671 820636868 /nfs/dbraw/zinc/63/68/68/820636868.db2.gz KXKIMNZJVBIMIF-SCVCMEIPSA-N 2 2 293.371 -0.334 20 0 CBADLP CCNC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@H]1C ZINC001179783573 820641094 /nfs/dbraw/zinc/64/10/94/820641094.db2.gz WCGCVWMJFRRISD-QWRGUYRKSA-N 2 2 293.371 -0.333 20 0 CBADLP COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@H]1C ZINC001180280093 820665288 /nfs/dbraw/zinc/66/52/88/820665288.db2.gz RWYVYOAFMYVFEZ-AVGNSLFASA-N 2 2 296.371 -0.531 20 0 CBADLP NC(=O)C[NH2+]CCCCCCNC(=O)Cn1cc[nH+]c1 ZINC001180470450 820680568 /nfs/dbraw/zinc/68/05/68/820680568.db2.gz MEUBLQWXUVMWMY-UHFFFAOYSA-N 2 2 281.360 -0.365 20 0 CBADLP C[C@H](C(=O)NC[C@@H]1C[N@H+](C)CCO1)[NH+]1CCCC1 ZINC001180585151 820696800 /nfs/dbraw/zinc/69/68/00/820696800.db2.gz NLNNZKZXEAUCRK-VXGBXAGGSA-N 2 2 255.362 -0.083 20 0 CBADLP C[C@H](C(=O)NC[C@@H]1C[N@@H+](C)CCO1)[NH+]1CCCC1 ZINC001180585151 820696804 /nfs/dbraw/zinc/69/68/04/820696804.db2.gz NLNNZKZXEAUCRK-VXGBXAGGSA-N 2 2 255.362 -0.083 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N(c2ncccn2)C2C[NH2+]C2)C1 ZINC001180758501 820718564 /nfs/dbraw/zinc/71/85/64/820718564.db2.gz HUOAFVLLPFYXTI-NSHDSACASA-N 2 2 277.328 -0.888 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N(c2ncccn2)C2C[NH2+]C2)C1 ZINC001180758501 820718566 /nfs/dbraw/zinc/71/85/66/820718566.db2.gz HUOAFVLLPFYXTI-NSHDSACASA-N 2 2 277.328 -0.888 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N(CC[NH3+])c2cccnc2)C1 ZINC001180763866 820723255 /nfs/dbraw/zinc/72/32/55/820723255.db2.gz OBDZDIVJFAZYGB-LBPRGKRZSA-N 2 2 264.329 -0.296 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N(CC[NH3+])c2cccnc2)C1 ZINC001180763866 820723261 /nfs/dbraw/zinc/72/32/61/820723261.db2.gz OBDZDIVJFAZYGB-LBPRGKRZSA-N 2 2 264.329 -0.296 20 0 CBADLP COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001184710168 821082456 /nfs/dbraw/zinc/08/24/56/821082456.db2.gz SULXARZLVRCLND-OLZOCXBDSA-N 2 2 296.371 -0.529 20 0 CBADLP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001184710206 821083601 /nfs/dbraw/zinc/08/36/01/821083601.db2.gz VZOOIJJMEWXLPN-LLVKDONJSA-N 2 2 279.344 -0.790 20 0 CBADLP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@H]1C[NH2+]CC(N)=O ZINC001185202623 821104426 /nfs/dbraw/zinc/10/44/26/821104426.db2.gz AULJNNLEOQDTAK-QWRGUYRKSA-N 2 2 293.371 -0.488 20 0 CBADLP CCN(C(=O)[C@@H]1C[N@H+](C)CCN1C)C1C[NH+](C)C1 ZINC001185257290 821111129 /nfs/dbraw/zinc/11/11/29/821111129.db2.gz IPFBTDHGVGZZDA-LBPRGKRZSA-N 2 2 254.378 -0.605 20 0 CBADLP CCN(C(=O)[C@@H]1C[N@@H+](C)CCN1C)C1C[NH+](C)C1 ZINC001185257290 821111136 /nfs/dbraw/zinc/11/11/36/821111136.db2.gz IPFBTDHGVGZZDA-LBPRGKRZSA-N 2 2 254.378 -0.605 20 0 CBADLP CN1CC[N@H+](C)C[C@H]1C(=O)NC1CC[NH+](CCF)CC1 ZINC001185266467 821118719 /nfs/dbraw/zinc/11/87/19/821118719.db2.gz ANSGPDWJKFEMPO-ZDUSSCGKSA-N 2 2 286.395 -0.218 20 0 CBADLP CN1CC[N@@H+](C)C[C@H]1C(=O)NC1CC[NH+](CCF)CC1 ZINC001185266467 821118727 /nfs/dbraw/zinc/11/87/27/821118727.db2.gz ANSGPDWJKFEMPO-ZDUSSCGKSA-N 2 2 286.395 -0.218 20 0 CBADLP COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001185918177 821145103 /nfs/dbraw/zinc/14/51/03/821145103.db2.gz KPOMTKPOXBYESS-ZYHUDNBSSA-N 2 2 282.344 -0.850 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H]([NH2+]CCOCCO)C1 ZINC001185919607 821145217 /nfs/dbraw/zinc/14/52/17/821145217.db2.gz XAGBIUIKYJLRHR-LLVKDONJSA-N 2 2 282.344 -0.848 20 0 CBADLP CC(C)(C)[NH+]1CC(NC(=O)C[N@@H+]2CC[C@@H](O)C2)C1 ZINC001186056433 821164523 /nfs/dbraw/zinc/16/45/23/821164523.db2.gz DAPSAHFKLUKNSS-LLVKDONJSA-N 2 2 255.362 -0.348 20 0 CBADLP CC(C)(C)[NH+]1CC(NC(=O)C[N@H+]2CC[C@@H](O)C2)C1 ZINC001186056433 821164527 /nfs/dbraw/zinc/16/45/27/821164527.db2.gz DAPSAHFKLUKNSS-LLVKDONJSA-N 2 2 255.362 -0.348 20 0 CBADLP O=C(C[N@H+]1CC[C@H](O)C1)NC1CC[NH+](CCF)CC1 ZINC001186055856 821165323 /nfs/dbraw/zinc/16/53/23/821165323.db2.gz VLTQIBYBZNPTQU-LBPRGKRZSA-N 2 2 273.352 -0.397 20 0 CBADLP O=C(C[N@@H+]1CC[C@H](O)C1)NC1CC[NH+](CCF)CC1 ZINC001186055856 821165329 /nfs/dbraw/zinc/16/53/29/821165329.db2.gz VLTQIBYBZNPTQU-LBPRGKRZSA-N 2 2 273.352 -0.397 20 0 CBADLP COC(=O)[C@H]1CC[N@H+](CC(=O)Nc2cccnc2C[NH3+])C1 ZINC001186117091 821172963 /nfs/dbraw/zinc/17/29/63/821172963.db2.gz UVBUOPSIAVVCSE-JTQLQIEISA-N 2 2 292.339 -0.026 20 0 CBADLP COC(=O)[C@H]1CC[N@@H+](CC(=O)Nc2cccnc2C[NH3+])C1 ZINC001186117091 821172968 /nfs/dbraw/zinc/17/29/68/821172968.db2.gz UVBUOPSIAVVCSE-JTQLQIEISA-N 2 2 292.339 -0.026 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001187091699 821211716 /nfs/dbraw/zinc/21/17/16/821211716.db2.gz LJQVQHFHTIBXMV-WDEREUQCSA-N 2 2 293.371 -0.712 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)N(CCO)CC[NH2+]Cc1cnon1 ZINC001279672533 828333048 /nfs/dbraw/zinc/33/30/48/828333048.db2.gz KIMZCONJRPERQN-LBPRGKRZSA-N 2 2 297.359 -0.926 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)N(CCO)CC[NH2+]Cc1cnon1 ZINC001279672533 828333057 /nfs/dbraw/zinc/33/30/57/828333057.db2.gz KIMZCONJRPERQN-LBPRGKRZSA-N 2 2 297.359 -0.926 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCO[C@H](C[NH2+]CCO)C1 ZINC001280648396 828368317 /nfs/dbraw/zinc/36/83/17/828368317.db2.gz LUOAVZSULNLSSK-DGCLKSJQSA-N 2 2 296.371 -0.602 20 0 CBADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCO[C@H](C[NH2+]CCO)C1 ZINC001280648396 828368327 /nfs/dbraw/zinc/36/83/27/828368327.db2.gz LUOAVZSULNLSSK-DGCLKSJQSA-N 2 2 296.371 -0.602 20 0 CBADLP CCOCC[NH+]1CC2(C1)C[C@@H](NC(=O)CC[NH+](C)C)CO2 ZINC001280969744 828384793 /nfs/dbraw/zinc/38/47/93/828384793.db2.gz SOGJWEHTZSYARZ-CYBMUJFWSA-N 2 2 299.415 -0.066 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)C)C1 ZINC001187420954 822276858 /nfs/dbraw/zinc/27/68/58/822276858.db2.gz UKHUDIXHKAJFKD-LLVKDONJSA-N 2 2 293.371 -0.461 20 0 CBADLP COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001187420946 822278288 /nfs/dbraw/zinc/27/82/88/822278288.db2.gz UFSAPAIDHXDXCN-VXGBXAGGSA-N 2 2 296.371 -0.542 20 0 CBADLP C[C@H]([NH2+][C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1)C(N)=O ZINC001188346143 822330278 /nfs/dbraw/zinc/33/02/78/822330278.db2.gz AUYKYTONFDVHEW-NWDGAFQWSA-N 2 2 293.371 -0.272 20 0 CBADLP O=C(C[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1)NC1CC1 ZINC001188369075 822333339 /nfs/dbraw/zinc/33/33/39/822333339.db2.gz PCNAADOLBRQLOU-GFCCVEGCSA-N 2 2 291.355 -0.648 20 0 CBADLP O=C(NC1CC(C[NH2+]CCO)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC001282016162 828430536 /nfs/dbraw/zinc/43/05/36/828430536.db2.gz VQGXIZDUSYILIL-CPCZMJQVSA-N 2 2 292.383 -0.078 20 0 CBADLP CNC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001282207385 828438786 /nfs/dbraw/zinc/43/87/86/828438786.db2.gz OICMIKKFUPZRQX-BDAKNGLRSA-N 2 2 267.333 -0.819 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)[C@@H](C)[NH2+]CCO ZINC001282230218 828439670 /nfs/dbraw/zinc/43/96/70/828439670.db2.gz VDKGIRNUJGYIHX-BDAKNGLRSA-N 2 2 254.334 -0.264 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[N@H+](C)CCO ZINC001282401262 828445548 /nfs/dbraw/zinc/44/55/48/828445548.db2.gz GUOKADYXSABVAR-GMTAPVOTSA-N 2 2 266.345 -0.058 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[N@@H+](C)CCO ZINC001282401262 828445553 /nfs/dbraw/zinc/44/55/53/828445553.db2.gz GUOKADYXSABVAR-GMTAPVOTSA-N 2 2 266.345 -0.058 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[N@H+](C)CCO ZINC001282401262 828445556 /nfs/dbraw/zinc/44/55/56/828445556.db2.gz GUOKADYXSABVAR-GMTAPVOTSA-N 2 2 266.345 -0.058 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[N@@H+](C)CCO ZINC001282401262 828445559 /nfs/dbraw/zinc/44/55/59/828445559.db2.gz GUOKADYXSABVAR-GMTAPVOTSA-N 2 2 266.345 -0.058 20 0 CBADLP COCC[N@H+](C)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001282505041 828450470 /nfs/dbraw/zinc/45/04/70/828450470.db2.gz VUNHIUGMEQKUPM-LLVKDONJSA-N 2 2 254.334 -0.034 20 0 CBADLP COCC[N@@H+](C)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001282505041 828450473 /nfs/dbraw/zinc/45/04/73/828450473.db2.gz VUNHIUGMEQKUPM-LLVKDONJSA-N 2 2 254.334 -0.034 20 0 CBADLP CC[NH+](CC)CC(=O)NCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001283028984 828490482 /nfs/dbraw/zinc/49/04/82/828490482.db2.gz CZPNPODHPRJNFB-UHFFFAOYSA-N 2 2 281.360 -0.474 20 0 CBADLP CC[C@@H](C(=O)NCCNC(=O)CCc1c[nH]c[nH+]1)[NH+](C)C ZINC001283073461 828494888 /nfs/dbraw/zinc/49/48/88/828494888.db2.gz VGERHOFRMSYEJL-LBPRGKRZSA-N 2 2 295.387 -0.085 20 0 CBADLP CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001190350588 823812575 /nfs/dbraw/zinc/81/25/75/823812575.db2.gz HBJVBIQTNFPKSN-QWHCGFSZSA-N 2 2 296.415 -0.395 20 0 CBADLP CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001190350588 823812582 /nfs/dbraw/zinc/81/25/82/823812582.db2.gz HBJVBIQTNFPKSN-QWHCGFSZSA-N 2 2 296.415 -0.395 20 0 CBADLP CNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]2C1 ZINC001190350588 823812593 /nfs/dbraw/zinc/81/25/93/823812593.db2.gz HBJVBIQTNFPKSN-QWHCGFSZSA-N 2 2 296.415 -0.395 20 0 CBADLP CNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C1 ZINC001190350588 823812598 /nfs/dbraw/zinc/81/25/98/823812598.db2.gz HBJVBIQTNFPKSN-QWHCGFSZSA-N 2 2 296.415 -0.395 20 0 CBADLP CNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001190949493 823862100 /nfs/dbraw/zinc/86/21/00/823862100.db2.gz ZWUPVVMWUOMNJH-QWHCGFSZSA-N 2 2 296.415 -0.251 20 0 CBADLP CNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001190949493 823862104 /nfs/dbraw/zinc/86/21/04/823862104.db2.gz ZWUPVVMWUOMNJH-QWHCGFSZSA-N 2 2 296.415 -0.251 20 0 CBADLP CNC(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001190949493 823862108 /nfs/dbraw/zinc/86/21/08/823862108.db2.gz ZWUPVVMWUOMNJH-QWHCGFSZSA-N 2 2 296.415 -0.251 20 0 CBADLP CNC(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001190949493 823862109 /nfs/dbraw/zinc/86/21/09/823862109.db2.gz ZWUPVVMWUOMNJH-QWHCGFSZSA-N 2 2 296.415 -0.251 20 0 CBADLP CNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001190949494 823864229 /nfs/dbraw/zinc/86/42/29/823864229.db2.gz ZWUPVVMWUOMNJH-STQMWFEESA-N 2 2 296.415 -0.251 20 0 CBADLP CNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001190949494 823864235 /nfs/dbraw/zinc/86/42/35/823864235.db2.gz ZWUPVVMWUOMNJH-STQMWFEESA-N 2 2 296.415 -0.251 20 0 CBADLP CNC(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001190949494 823864240 /nfs/dbraw/zinc/86/42/40/823864240.db2.gz ZWUPVVMWUOMNJH-STQMWFEESA-N 2 2 296.415 -0.251 20 0 CBADLP CNC(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001190949494 823864246 /nfs/dbraw/zinc/86/42/46/823864246.db2.gz ZWUPVVMWUOMNJH-STQMWFEESA-N 2 2 296.415 -0.251 20 0 CBADLP COC[C@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001193048003 824000609 /nfs/dbraw/zinc/00/06/09/824000609.db2.gz KLQQYGWQBQLXBU-VXGBXAGGSA-N 2 2 296.371 -0.508 20 0 CBADLP COC[C@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001193048003 824000613 /nfs/dbraw/zinc/00/06/13/824000613.db2.gz KLQQYGWQBQLXBU-VXGBXAGGSA-N 2 2 296.371 -0.508 20 0 CBADLP C[N@H+](CCOCCO)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001193048326 824000795 /nfs/dbraw/zinc/00/07/95/824000795.db2.gz OPHMCRJIEQPFET-GFCCVEGCSA-N 2 2 296.371 -0.506 20 0 CBADLP C[N@@H+](CCOCCO)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001193048326 824000799 /nfs/dbraw/zinc/00/07/99/824000799.db2.gz OPHMCRJIEQPFET-GFCCVEGCSA-N 2 2 296.371 -0.506 20 0 CBADLP COC[C@H](O)C[N@H+](C)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001193047999 824000943 /nfs/dbraw/zinc/00/09/43/824000943.db2.gz KLQQYGWQBQLXBU-NWDGAFQWSA-N 2 2 296.371 -0.508 20 0 CBADLP COC[C@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001193047999 824000948 /nfs/dbraw/zinc/00/09/48/824000948.db2.gz KLQQYGWQBQLXBU-NWDGAFQWSA-N 2 2 296.371 -0.508 20 0 CBADLP C[N@H+](CCOCCO)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001193048327 824001052 /nfs/dbraw/zinc/00/10/52/824001052.db2.gz OPHMCRJIEQPFET-LBPRGKRZSA-N 2 2 296.371 -0.506 20 0 CBADLP C[N@@H+](CCOCCO)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001193048327 824001057 /nfs/dbraw/zinc/00/10/57/824001057.db2.gz OPHMCRJIEQPFET-LBPRGKRZSA-N 2 2 296.371 -0.506 20 0 CBADLP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[NH+](CCF)C[C@H]1O ZINC001193901046 824049979 /nfs/dbraw/zinc/04/99/79/824049979.db2.gz BENLFULGXAXSGY-YNEHKIRRSA-N 2 2 287.379 -0.008 20 0 CBADLP C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[NH+](CCF)C[C@H]1O ZINC001193901046 824049982 /nfs/dbraw/zinc/04/99/82/824049982.db2.gz BENLFULGXAXSGY-YNEHKIRRSA-N 2 2 287.379 -0.008 20 0 CBADLP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1C[N@H+](CCF)C[C@H]1O ZINC001193901046 824049988 /nfs/dbraw/zinc/04/99/88/824049988.db2.gz BENLFULGXAXSGY-YNEHKIRRSA-N 2 2 287.379 -0.008 20 0 CBADLP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1O ZINC001193901046 824049991 /nfs/dbraw/zinc/04/99/91/824049991.db2.gz BENLFULGXAXSGY-YNEHKIRRSA-N 2 2 287.379 -0.008 20 0 CBADLP COC[C@@H](O)C[N@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194449193 824074162 /nfs/dbraw/zinc/07/41/62/824074162.db2.gz QJAAEUJPFFPISK-STQMWFEESA-N 2 2 296.371 -0.577 20 0 CBADLP COC[C@@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194449193 824074166 /nfs/dbraw/zinc/07/41/66/824074166.db2.gz QJAAEUJPFFPISK-STQMWFEESA-N 2 2 296.371 -0.577 20 0 CBADLP CNC(=O)[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194460491 824074982 /nfs/dbraw/zinc/07/49/82/824074982.db2.gz PACZGPXEBCKPRJ-NWDGAFQWSA-N 2 2 293.371 -0.450 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194460491 824074986 /nfs/dbraw/zinc/07/49/86/824074986.db2.gz PACZGPXEBCKPRJ-NWDGAFQWSA-N 2 2 293.371 -0.450 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1C[N@H+](CCCF)C[C@H]1O ZINC001194908932 824095926 /nfs/dbraw/zinc/09/59/26/824095926.db2.gz JMYMYSQGCNIHOT-VXGBXAGGSA-N 2 2 298.362 -0.126 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1C[N@@H+](CCCF)C[C@H]1O ZINC001194908932 824095930 /nfs/dbraw/zinc/09/59/30/824095930.db2.gz JMYMYSQGCNIHOT-VXGBXAGGSA-N 2 2 298.362 -0.126 20 0 CBADLP COCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001195127832 824103884 /nfs/dbraw/zinc/10/38/84/824103884.db2.gz AKXBTSBEXQYHLL-CHWSQXEVSA-N 2 2 296.371 -0.529 20 0 CBADLP COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001195127832 824103890 /nfs/dbraw/zinc/10/38/90/824103890.db2.gz AKXBTSBEXQYHLL-CHWSQXEVSA-N 2 2 296.371 -0.529 20 0 CBADLP Cc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C2)on1 ZINC001195850706 824134062 /nfs/dbraw/zinc/13/40/62/824134062.db2.gz NSZNCYKCPNPUPN-CHWSQXEVSA-N 2 2 296.371 -0.404 20 0 CBADLP Cc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C2)on1 ZINC001195850706 824134064 /nfs/dbraw/zinc/13/40/64/824134064.db2.gz NSZNCYKCPNPUPN-CHWSQXEVSA-N 2 2 296.371 -0.404 20 0 CBADLP Cc1oncc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195859680 824134574 /nfs/dbraw/zinc/13/45/74/824134574.db2.gz NCAUVGJQTABMOU-CHWSQXEVSA-N 2 2 296.371 -0.404 20 0 CBADLP Cc1oncc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195859680 824134577 /nfs/dbraw/zinc/13/45/77/824134577.db2.gz NCAUVGJQTABMOU-CHWSQXEVSA-N 2 2 296.371 -0.404 20 0 CBADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@H]1O ZINC001195872017 824135157 /nfs/dbraw/zinc/13/51/57/824135157.db2.gz WWWPFQBADAEXMN-UQRCUPDISA-N 2 2 275.780 -0.148 20 0 CBADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@H]1O ZINC001195872017 824135162 /nfs/dbraw/zinc/13/51/62/824135162.db2.gz WWWPFQBADAEXMN-UQRCUPDISA-N 2 2 275.780 -0.148 20 0 CBADLP CNC(=O)C[N@@H+]1CCCN(C(=O)CCC[NH+](C)C)CC1 ZINC001196970506 824174645 /nfs/dbraw/zinc/17/46/45/824174645.db2.gz IRVGAUPWHGQKBF-UHFFFAOYSA-N 2 2 284.404 -0.392 20 0 CBADLP CNC(=O)C[N@H+]1CCCN(C(=O)CCC[NH+](C)C)CC1 ZINC001196970506 824174648 /nfs/dbraw/zinc/17/46/48/824174648.db2.gz IRVGAUPWHGQKBF-UHFFFAOYSA-N 2 2 284.404 -0.392 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[N@@H+](CCOCCO)CC1 ZINC001197269059 824186664 /nfs/dbraw/zinc/18/66/64/824186664.db2.gz AXCKDVHDGMQMAU-UHFFFAOYSA-N 2 2 296.371 -0.505 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[N@H+](CCOCCO)CC1 ZINC001197269059 824186669 /nfs/dbraw/zinc/18/66/69/824186669.db2.gz AXCKDVHDGMQMAU-UHFFFAOYSA-N 2 2 296.371 -0.505 20 0 CBADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCF)C[C@H]1O ZINC001197536111 824194066 /nfs/dbraw/zinc/19/40/66/824194066.db2.gz JXHSDNUKRUEKJB-GHMZBOCLSA-N 2 2 261.341 -0.541 20 0 CBADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCF)C[C@H]1O ZINC001197536111 824194070 /nfs/dbraw/zinc/19/40/70/824194070.db2.gz JXHSDNUKRUEKJB-GHMZBOCLSA-N 2 2 261.341 -0.541 20 0 CBADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCF)C[C@H]1O ZINC001197536111 824194072 /nfs/dbraw/zinc/19/40/72/824194072.db2.gz JXHSDNUKRUEKJB-GHMZBOCLSA-N 2 2 261.341 -0.541 20 0 CBADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1O ZINC001197536111 824194075 /nfs/dbraw/zinc/19/40/75/824194075.db2.gz JXHSDNUKRUEKJB-GHMZBOCLSA-N 2 2 261.341 -0.541 20 0 CBADLP C[NH+]1CCN(c2cc[nH+]cc2C(=O)NC[C@H](O)CF)CC1 ZINC001199361337 824264880 /nfs/dbraw/zinc/26/48/80/824264880.db2.gz UVOGUNVWFXKYGB-LLVKDONJSA-N 2 2 296.346 -0.106 20 0 CBADLP C[NH+]1CCN(c2cc[nH+]cc2C(=O)NCCC(N)=O)CC1 ZINC001199357746 824265045 /nfs/dbraw/zinc/26/50/45/824265045.db2.gz AFYXGSQFFMNRAY-UHFFFAOYSA-N 2 2 291.355 -0.561 20 0 CBADLP CC1(C)[NH2+]C[C@@H](C[NH+]2CCC(NC(N)=O)CC2)O1 ZINC001204748366 824370966 /nfs/dbraw/zinc/37/09/66/824370966.db2.gz JZTKRXFGQVRQQH-JTQLQIEISA-N 2 2 256.350 -0.156 20 0 CBADLP Cn1nnc2cc(C[N@@H+]3CC[C@@H]([NH3+])[C@H](O)C3)ccc21 ZINC001205960026 824391236 /nfs/dbraw/zinc/39/12/36/824391236.db2.gz XOAFOGQMKYFHFF-ZWNOBZJWSA-N 2 2 261.329 -0.138 20 0 CBADLP Cn1nnc2cc(C[N@H+]3CC[C@@H]([NH3+])[C@H](O)C3)ccc21 ZINC001205960026 824391238 /nfs/dbraw/zinc/39/12/38/824391238.db2.gz XOAFOGQMKYFHFF-ZWNOBZJWSA-N 2 2 261.329 -0.138 20 0 CBADLP Cn1cc(C[N@@H+]2CCCC[C@](F)(C[NH3+])C2)c(=O)n(C)c1=O ZINC001206362187 824398940 /nfs/dbraw/zinc/39/89/40/824398940.db2.gz NABGWEBFWSRRLV-AWEZNQCLSA-N 2 2 298.362 -0.263 20 0 CBADLP Cn1cc(C[N@H+]2CCCC[C@](F)(C[NH3+])C2)c(=O)n(C)c1=O ZINC001206362187 824398943 /nfs/dbraw/zinc/39/89/43/824398943.db2.gz NABGWEBFWSRRLV-AWEZNQCLSA-N 2 2 298.362 -0.263 20 0 CBADLP COC(=O)c1ccc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)nc1 ZINC001206520836 824401936 /nfs/dbraw/zinc/40/19/36/824401936.db2.gz XFNPAKQXBMMVQK-JQWIXIFHSA-N 2 2 265.313 -0.380 20 0 CBADLP COC(=O)c1ccc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)nc1 ZINC001206520836 824401941 /nfs/dbraw/zinc/40/19/41/824401941.db2.gz XFNPAKQXBMMVQK-JQWIXIFHSA-N 2 2 265.313 -0.380 20 0 CBADLP C[C@H]([NH2+]CC1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1)C(N)=O ZINC001206684132 824405950 /nfs/dbraw/zinc/40/59/50/824405950.db2.gz VYGREBIVOSYDQA-JTQLQIEISA-N 2 2 293.371 -0.346 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CCC(C[NH2+]CCO)CC1 ZINC001206872891 824408056 /nfs/dbraw/zinc/40/80/56/824408056.db2.gz XOULCZGXTICPHX-UHFFFAOYSA-N 2 2 280.372 -0.217 20 0 CBADLP C[N@@H+]1CCC[C@@H](C[NH+]2CCN3C(=O)COC[C@@H]3C2)C1 ZINC001208618537 824456335 /nfs/dbraw/zinc/45/63/35/824456335.db2.gz YGUPFXHSRWMLFQ-OLZOCXBDSA-N 2 2 267.373 -0.129 20 0 CBADLP C[N@H+]1CCC[C@@H](C[NH+]2CCN3C(=O)COC[C@@H]3C2)C1 ZINC001208618537 824456338 /nfs/dbraw/zinc/45/63/38/824456338.db2.gz YGUPFXHSRWMLFQ-OLZOCXBDSA-N 2 2 267.373 -0.129 20 0 CBADLP C[NH+]1CCC[C@@H](C[N@@H+]2CCN3C(=O)COC[C@@H]3C2)C1 ZINC001208618537 824456340 /nfs/dbraw/zinc/45/63/40/824456340.db2.gz YGUPFXHSRWMLFQ-OLZOCXBDSA-N 2 2 267.373 -0.129 20 0 CBADLP C[NH+]1CCC[C@@H](C[N@H+]2CCN3C(=O)COC[C@@H]3C2)C1 ZINC001208618537 824456343 /nfs/dbraw/zinc/45/63/43/824456343.db2.gz YGUPFXHSRWMLFQ-OLZOCXBDSA-N 2 2 267.373 -0.129 20 0 CBADLP C[N@@H+]1CCC[C@H](C[NH+]2CCN3C(=O)COC[C@@H]3C2)C1 ZINC001208618539 824457013 /nfs/dbraw/zinc/45/70/13/824457013.db2.gz YGUPFXHSRWMLFQ-STQMWFEESA-N 2 2 267.373 -0.129 20 0 CBADLP C[N@H+]1CCC[C@H](C[NH+]2CCN3C(=O)COC[C@@H]3C2)C1 ZINC001208618539 824457015 /nfs/dbraw/zinc/45/70/15/824457015.db2.gz YGUPFXHSRWMLFQ-STQMWFEESA-N 2 2 267.373 -0.129 20 0 CBADLP C[NH+]1CCC[C@H](C[N@@H+]2CCN3C(=O)COC[C@@H]3C2)C1 ZINC001208618539 824457017 /nfs/dbraw/zinc/45/70/17/824457017.db2.gz YGUPFXHSRWMLFQ-STQMWFEESA-N 2 2 267.373 -0.129 20 0 CBADLP C[NH+]1CCC[C@H](C[N@H+]2CCN3C(=O)COC[C@@H]3C2)C1 ZINC001208618539 824457020 /nfs/dbraw/zinc/45/70/20/824457020.db2.gz YGUPFXHSRWMLFQ-STQMWFEESA-N 2 2 267.373 -0.129 20 0 CBADLP C[NH+](C)C[C@H]1COCCN1CC[NH+]1CCOCC1 ZINC001209293190 824466999 /nfs/dbraw/zinc/46/69/99/824466999.db2.gz ICSGZLDYLYVMAV-ZDUSSCGKSA-N 2 2 257.378 -0.419 20 0 CBADLP CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001212026629 824496799 /nfs/dbraw/zinc/49/67/99/824496799.db2.gz RJPWEBBSFSXNNN-MGPQQGTHSA-N 2 2 299.415 -0.068 20 0 CBADLP CCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001212026629 824496808 /nfs/dbraw/zinc/49/68/08/824496808.db2.gz RJPWEBBSFSXNNN-MGPQQGTHSA-N 2 2 299.415 -0.068 20 0 CBADLP CCOCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@H](OC)C1 ZINC001212026629 824496811 /nfs/dbraw/zinc/49/68/11/824496811.db2.gz RJPWEBBSFSXNNN-MGPQQGTHSA-N 2 2 299.415 -0.068 20 0 CBADLP CCOCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@H](OC)C1 ZINC001212026629 824496819 /nfs/dbraw/zinc/49/68/19/824496819.db2.gz RJPWEBBSFSXNNN-MGPQQGTHSA-N 2 2 299.415 -0.068 20 0 CBADLP CO[C@@H]1C[N@H+](C[C@H](C)O)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001212201230 824504423 /nfs/dbraw/zinc/50/44/23/824504423.db2.gz WNZAUHIWUMFBIK-QJPTWQEYSA-N 2 2 296.371 -0.462 20 0 CBADLP CO[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001212201230 824504428 /nfs/dbraw/zinc/50/44/28/824504428.db2.gz WNZAUHIWUMFBIK-QJPTWQEYSA-N 2 2 296.371 -0.462 20 0 CBADLP CNC(=O)C[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001215268973 824539755 /nfs/dbraw/zinc/53/97/55/824539755.db2.gz GBTQVTJIKXNLHD-VXGBXAGGSA-N 2 2 293.371 -0.544 20 0 CBADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]CCOCCO ZINC001215681436 824543290 /nfs/dbraw/zinc/54/32/90/824543290.db2.gz ZIPZDSOCTSURDB-DGCLKSJQSA-N 2 2 296.371 -0.602 20 0 CBADLP COC(=O)[C@@H]1C[C@H](OC[C@@H]2C[C@H]3CC[NH2+]C[C@@H]3O2)C[NH2+]1 ZINC001217822215 824562363 /nfs/dbraw/zinc/56/23/63/824562363.db2.gz NJIGLQLEUSPCKP-MOLYVOAJSA-N 2 2 284.356 -0.327 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2cnc3c(c2)COCC3)C1 ZINC001218502249 824572119 /nfs/dbraw/zinc/57/21/19/824572119.db2.gz SGKOXVAGNQGLTO-SKDRFNHKSA-N 2 2 262.313 -0.218 20 0 CBADLP COc1nn(C)cc1NC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001218503611 824574063 /nfs/dbraw/zinc/57/40/63/824574063.db2.gz BXFFGXLMWQKESS-UHFFFAOYSA-N 2 2 253.306 -0.552 20 0 CBADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1nnc(Br)s1 ZINC001218510480 824574561 /nfs/dbraw/zinc/57/45/61/824574561.db2.gz GBJQPLXPMWCCSF-VKHMYHEASA-N 2 2 280.151 -0.085 20 0 CBADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1n[nH]c(C(F)(F)F)n1 ZINC001218510553 824576758 /nfs/dbraw/zinc/57/67/58/824576758.db2.gz HNRUQFUPNFSVTF-VKHMYHEASA-N 2 2 252.200 -0.562 20 0 CBADLP CSc1nccc(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])n1 ZINC001218512208 824577765 /nfs/dbraw/zinc/57/77/65/824577765.db2.gz PYKLKNSLARHPOP-BQBZGAKWSA-N 2 2 253.331 -0.316 20 0 CBADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)Nc2ncnc3n[nH]nc32)cc1 ZINC001218516308 824578319 /nfs/dbraw/zinc/57/83/19/824578319.db2.gz YRCCUZHNHRTCHG-SECBINFHSA-N 2 2 298.310 -0.041 20 0 CBADLP CCOC(=O)c1c(C)[nH]nc1NC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001218512749 824578638 /nfs/dbraw/zinc/57/86/38/824578638.db2.gz SEZICQFWJXWKQD-UHFFFAOYSA-N 2 2 295.343 -0.086 20 0 CBADLP Cn1c(NC(=O)C2([NH3+])CC[NH2+]CC2)nnc1C(F)(F)F ZINC001218515862 824578710 /nfs/dbraw/zinc/57/87/10/824578710.db2.gz YUNUIOCXMAAOFE-UHFFFAOYSA-N 2 2 292.265 -0.147 20 0 CBADLP Cn1c(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)nnc1C(F)(F)F ZINC001218516250 824578927 /nfs/dbraw/zinc/57/89/27/824578927.db2.gz WMUILTPCKDEAJY-UHNVWZDZSA-N 2 2 278.238 -0.538 20 0 CBADLP [NH3+]C1(C(=O)Nc2n[nH]c(-c3ccncc3)n2)CC[NH2+]CC1 ZINC001218521893 824581061 /nfs/dbraw/zinc/58/10/61/824581061.db2.gz BSYRKRNOYGABEC-UHFFFAOYSA-N 2 2 287.327 -0.114 20 0 CBADLP Cc1cc(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)n2ncnc2n1 ZINC001218527594 824583356 /nfs/dbraw/zinc/58/33/56/824583356.db2.gz MWJXQHHMHHCGNN-KKFJDGPESA-N 2 2 287.327 -0.407 20 0 CBADLP Cc1cc(NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)n2ncnc2n1 ZINC001218528287 824584784 /nfs/dbraw/zinc/58/47/84/824584784.db2.gz RSQDSUGAMFMLLR-SECBINFHSA-N 2 2 286.299 -0.336 20 0 CBADLP CCOC(=O)c1c[nH]c(NC(=O)C[NH2+]C2CC[NH2+]CC2)n1 ZINC001218529184 824585623 /nfs/dbraw/zinc/58/56/23/824585623.db2.gz YZGZRSUKZIAHGK-UHFFFAOYSA-N 2 2 295.343 -0.134 20 0 CBADLP N=c1scc(N)n1C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001218542131 824587009 /nfs/dbraw/zinc/58/70/09/824587009.db2.gz URLARHCQGYKWQE-LURJTMIESA-N 2 2 252.303 -0.455 20 0 CBADLP C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1n[nH]c2nccnc12 ZINC001218569164 824595089 /nfs/dbraw/zinc/59/50/89/824595089.db2.gz UTAUEQWANKUTDH-QMMMGPOBSA-N 2 2 277.332 -0.040 20 0 CBADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1cc(OCC2CC2)n[nH]1 ZINC001218578519 824597668 /nfs/dbraw/zinc/59/76/68/824597668.db2.gz KPTIWOUFMUUGCV-QMMMGPOBSA-N 2 2 253.306 -0.187 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cnc(C(F)(F)F)nc1 ZINC001218585475 824599706 /nfs/dbraw/zinc/59/97/06/824599706.db2.gz SGJHFGCTMYJNON-BQBZGAKWSA-N 2 2 275.234 -0.019 20 0 CBADLP N=c1ccc(F)c(N)n1C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001218603871 824601543 /nfs/dbraw/zinc/60/15/43/824601543.db2.gz IJMXJHOLJLSHOM-RWYTXXIDSA-N 2 2 265.292 -0.449 20 0 CBADLP N=c1ccc(F)c(N)n1C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001218604456 824602043 /nfs/dbraw/zinc/60/20/43/824602043.db2.gz PKNRTQSVXWGGMA-QMMMGPOBSA-N 2 2 264.264 -0.378 20 0 CBADLP N=c1ccc(F)c(N)n1C(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001218604455 824602347 /nfs/dbraw/zinc/60/23/47/824602347.db2.gz PKNRTQSVXWGGMA-MRVPVSSYSA-N 2 2 264.264 -0.378 20 0 CBADLP COC(=O)Cn1cc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)cn1 ZINC001218610392 824603887 /nfs/dbraw/zinc/60/38/87/824603887.db2.gz NYMMGENQPVPMEM-JTQLQIEISA-N 2 2 292.299 -0.712 20 0 CBADLP [NH3+]CCSC[C@H]([NH3+])C(=O)Nc1cc[nH+]c2c1CCC2 ZINC001218619526 824604442 /nfs/dbraw/zinc/60/44/42/824604442.db2.gz CENJJMYPDGRYFP-JTQLQIEISA-N 3 2 280.397 -0.050 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1csc(N2CCOCC2)n1 ZINC001218619592 824604677 /nfs/dbraw/zinc/60/46/77/824604677.db2.gz AAPHFOXZVITWRH-IUCAKERBSA-N 2 2 297.384 -0.535 20 0 CBADLP O=C(Nc1cc[nH+]c2c1CCC2)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001218622354 824606595 /nfs/dbraw/zinc/60/65/95/824606595.db2.gz ZXBASAIZEAARFD-CYBMUJFWSA-N 2 2 288.351 -0.739 20 0 CBADLP O=C(Nc1cc(=O)[nH]c(Cl)n1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218646691 824614444 /nfs/dbraw/zinc/61/44/44/824614444.db2.gz BFXIJJZIFXRPHB-ZCFIWIBFSA-N 2 2 283.719 -0.417 20 0 CBADLP Cc1c[nH]c(=O)cc1NC(=O)[C@@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001218651375 824616069 /nfs/dbraw/zinc/61/60/69/824616069.db2.gz IMAOSXHVPKHFEX-NSHDSACASA-N 2 2 293.371 -0.215 20 0 CBADLP CCOC(=O)c1cc(NC(=O)[C@@H]([NH3+])CC[NH3+])c[nH]1 ZINC001218650110 824616124 /nfs/dbraw/zinc/61/61/24/824616124.db2.gz RTRPUCWGNNOKCN-QMMMGPOBSA-N 2 2 254.290 -0.194 20 0 CBADLP Nc1cnc(Cl)c(NC(=O)C[NH2+]C2CC[NH2+]CC2)n1 ZINC001218673910 824620190 /nfs/dbraw/zinc/62/01/90/824620190.db2.gz JOLNQGPYQQGMMJ-UHFFFAOYSA-N 2 2 284.751 -0.008 20 0 CBADLP CCOc1cc(N)n(C(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)c(=N)n1 ZINC001218681222 824622233 /nfs/dbraw/zinc/62/22/33/824622233.db2.gz SGABPRSTHJHFBU-MRVPVSSYSA-N 2 2 291.315 -0.723 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2cc(Cl)ncc2CO)C1 ZINC001218692520 824622464 /nfs/dbraw/zinc/62/24/64/824622464.db2.gz LJTVJGUTBJZUGZ-APPZFPTMSA-N 2 2 270.720 -0.145 20 0 CBADLP Cc1nnc2cc(NC(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])ccn12 ZINC001218700518 824624086 /nfs/dbraw/zinc/62/40/86/824624086.db2.gz ZXGSUZLEFREQPV-UWVGGRQHSA-N 2 2 260.301 -0.477 20 0 CBADLP CCOC(=O)c1nc(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])cn1C ZINC001218706505 824625745 /nfs/dbraw/zinc/62/57/45/824625745.db2.gz GIPBELGJMKFHBW-YUMQZZPRSA-N 2 2 281.316 -0.918 20 0 CBADLP CCOc1cc(NC(=O)[C@@H]([NH3+])CC[NH3+])cc(C(=O)OC)n1 ZINC001218716746 824627585 /nfs/dbraw/zinc/62/75/85/824627585.db2.gz COBVAYJGZRLDLD-VIFPVBQESA-N 2 2 296.327 -0.119 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cc([C@@H]2CCC[NH2+]2)no1 ZINC001218713659 824628166 /nfs/dbraw/zinc/62/81/66/824628166.db2.gz UIBXBNUOHKFSRK-CIUDSAMLSA-N 3 2 265.317 -0.416 20 0 CBADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)Nc1ccc[nH]1 ZINC001218716675 824628187 /nfs/dbraw/zinc/62/81/87/824628187.db2.gz ZKNKMQBZCSDIAO-SNVBAGLBSA-N 2 2 251.334 -0.296 20 0 CBADLP COC[C@@H](C)Oc1cc(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])[nH]n1 ZINC001218720463 824628702 /nfs/dbraw/zinc/62/87/02/824628702.db2.gz KAIAOYBGUYXLQP-VGMNWLOBSA-N 2 2 283.332 -0.691 20 0 CBADLP COC[C@H](C)Oc1cc(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])[nH]n1 ZINC001218720459 824629134 /nfs/dbraw/zinc/62/91/34/824629134.db2.gz KAIAOYBGUYXLQP-CIUDSAMLSA-N 2 2 283.332 -0.691 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2ccc(O[C@@H]3CC[NH2+]C3)nc2)C1 ZINC001218726825 824629187 /nfs/dbraw/zinc/62/91/87/824629187.db2.gz JWZXRNCJMYEHQA-JLLWLGSASA-N 3 2 291.355 -0.550 20 0 CBADLP CCN(C)c1ncc(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])cn1 ZINC001218741180 824630277 /nfs/dbraw/zinc/63/02/77/824630277.db2.gz UCJJWLVLUQBRJX-UWVGGRQHSA-N 2 2 264.333 -0.582 20 0 CBADLP CN(C)c1cc(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)[nH]n1 ZINC001218743314 824631253 /nfs/dbraw/zinc/63/12/53/824631253.db2.gz PVBOEZPWXMTRTG-RWYTXXIDSA-N 2 2 264.333 -0.364 20 0 CBADLP CC1(C)COc2cc(NC(=O)[C@@H]([NH3+])CC[NH3+])nn2C1 ZINC001218746719 824633396 /nfs/dbraw/zinc/63/33/96/824633396.db2.gz OBURBVZCKUTCIU-QMMMGPOBSA-N 2 2 267.333 -0.084 20 0 CBADLP Nc1nc(Cl)ccc1NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001218766007 824636143 /nfs/dbraw/zinc/63/61/43/824636143.db2.gz GCPRBSPBXGPBND-VDTYLAMSSA-N 2 2 255.709 -0.055 20 0 CBADLP CCOC(=O)c1nc(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])c[nH]1 ZINC001218763725 824636271 /nfs/dbraw/zinc/63/62/71/824636271.db2.gz HBEONXIJECILPQ-BQBZGAKWSA-N 2 2 267.289 -0.928 20 0 CBADLP COC(=O)c1ccc(OC)nc1NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001218790463 824639517 /nfs/dbraw/zinc/63/95/17/824639517.db2.gz KBUHHGYRTMDNTD-APPZFPTMSA-N 2 2 294.311 -0.496 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2ccc(-n3ccnn3)cc2)C1 ZINC001218821690 824641586 /nfs/dbraw/zinc/64/15/86/824641586.db2.gz DKAIRJRTWPSJCO-SKDRFNHKSA-N 2 2 272.312 -0.105 20 0 CBADLP Cn1nnc2cc(NC(=O)C3([NH3+])CC[NH2+]CC3)ccc21 ZINC001218881634 824645359 /nfs/dbraw/zinc/64/53/59/824645359.db2.gz YYCULGVBNUSFJQ-UHFFFAOYSA-N 2 2 274.328 -0.012 20 0 CBADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1ccc2c(c1)[nH]c(=O)[nH]c2=O ZINC001218991581 824653043 /nfs/dbraw/zinc/65/30/43/824653043.db2.gz XCVIVNAMJUTMLN-QMMMGPOBSA-N 2 2 277.284 -0.344 20 0 CBADLP COc1cc(NC(=O)[C@@H]([NH3+])CC[NH3+])cc(-n2cncn2)c1 ZINC001219094865 824662410 /nfs/dbraw/zinc/66/24/10/824662410.db2.gz ZPFAPWYBCJKPCD-LBPRGKRZSA-N 2 2 290.327 -0.110 20 0 CBADLP N=c1c2cc(N)ccc2on1C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001219138656 824666914 /nfs/dbraw/zinc/66/69/14/824666914.db2.gz RTQFQKICAXOKSF-APPZFPTMSA-N 2 2 261.285 -0.375 20 0 CBADLP NC(=O)c1cc(O)cc(NC(=O)C[NH2+]C2CC[NH2+]CC2)c1 ZINC001219441296 824709907 /nfs/dbraw/zinc/70/99/07/824709907.db2.gz DPBXHYYZJIGKEH-UHFFFAOYSA-N 2 2 292.339 -0.229 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2ccc3[nH]c(=O)cnc3c2)C1 ZINC001219438467 824711258 /nfs/dbraw/zinc/71/12/58/824711258.db2.gz PLBXWAHGUINHNS-HQJQHLMTSA-N 2 2 273.296 -0.449 20 0 CBADLP COC[C@H](C)[N@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001219552432 824727701 /nfs/dbraw/zinc/72/77/01/824727701.db2.gz ADRGLTWHHZPXBI-TUAOUCFPSA-N 2 2 296.371 -0.462 20 0 CBADLP COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001219552432 824727707 /nfs/dbraw/zinc/72/77/07/824727707.db2.gz ADRGLTWHHZPXBI-TUAOUCFPSA-N 2 2 296.371 -0.462 20 0 CBADLP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)NCCn1cc[nH+]c1 ZINC001219563954 824730491 /nfs/dbraw/zinc/73/04/91/824730491.db2.gz OCZBETTZGGZLBE-JQWIXIFHSA-N 2 2 281.360 -0.511 20 0 CBADLP CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC001219580166 824734057 /nfs/dbraw/zinc/73/40/57/824734057.db2.gz KXEHCOOVYXQYMH-XHVZSJERSA-N 2 2 293.371 -0.286 20 0 CBADLP CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC001219580166 824734060 /nfs/dbraw/zinc/73/40/60/824734060.db2.gz KXEHCOOVYXQYMH-XHVZSJERSA-N 2 2 293.371 -0.286 20 0 CBADLP C[C@H]1CC[C@H](NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)C[NH2+]1 ZINC001219579652 824735219 /nfs/dbraw/zinc/73/52/19/824735219.db2.gz CGFOEJUQSLQBAH-QXEWZRGKSA-N 3 2 251.334 -0.464 20 0 CBADLP C[C@H]1CC[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)C[NH2+]1 ZINC001219582906 824735705 /nfs/dbraw/zinc/73/57/05/824735705.db2.gz NUFQSTOBUNEDHA-NOHGZBONSA-N 3 2 252.362 -0.805 20 0 CBADLP C[C@H]1CC[C@H](NC(=O)[C@H](CO)n2cc[nH+]c2)C[NH2+]1 ZINC001219583136 824736630 /nfs/dbraw/zinc/73/66/30/824736630.db2.gz POJBRPBCCXDGHL-DCAQKATOSA-N 2 2 252.318 -0.327 20 0 CBADLP Cc1cc(C)n(CCNC(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)n1 ZINC001219595982 824739059 /nfs/dbraw/zinc/73/90/59/824739059.db2.gz YOBOABRVWMUZAO-OCCSQVGLSA-N 2 2 277.372 -0.432 20 0 CBADLP Cc1ccnc(CNC(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)n1 ZINC001219600384 824741324 /nfs/dbraw/zinc/74/13/24/824741324.db2.gz RQIMBZAAMMYTMU-MFKMUULPSA-N 2 2 261.329 -0.647 20 0 CBADLP Cc1nocc1CNC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001219608026 824853001 /nfs/dbraw/zinc/85/30/01/824853001.db2.gz MHPUVXSDOIBWBP-JQWIXIFHSA-N 2 2 250.302 -0.449 20 0 CBADLP [NH3+]C1(C(=O)N[C@@]2(C(F)(F)F)CC[NH2+]C2)CC[NH2+]CC1 ZINC001219609885 824854639 /nfs/dbraw/zinc/85/46/39/824854639.db2.gz HFKRQKLSINCIDO-JTQLQIEISA-N 3 2 280.294 -0.522 20 0 CBADLP O=C(N[C@]1(C(F)(F)F)CC[NH2+]C1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001219610610 824854783 /nfs/dbraw/zinc/85/47/83/824854783.db2.gz PNBIBOXFNMYZGU-JMJZKYOTSA-N 3 2 292.305 -0.652 20 0 CBADLP O=C(NCCN1CCCCO1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001219632362 824865728 /nfs/dbraw/zinc/86/57/28/824865728.db2.gz LJFOTLJEQXVTGJ-DGCLKSJQSA-N 2 2 268.361 -0.919 20 0 CBADLP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)C1 ZINC001219638891 824867233 /nfs/dbraw/zinc/86/72/33/824867233.db2.gz RIPOGFZQGXMQEV-JBLDHEPKSA-N 3 2 265.361 -0.359 20 0 CBADLP Cn1c[nH+]c(CCNC(=O)[C@@H]([NH3+])CC[S@@](C)=O)c1 ZINC001219634045 824868558 /nfs/dbraw/zinc/86/85/58/824868558.db2.gz KNRZDODJXUERHZ-XTZNXHDOSA-N 2 2 272.374 -0.825 20 0 CBADLP C[C@H]1OCC[C@H]1CNC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001219633909 824869066 /nfs/dbraw/zinc/86/90/66/824869066.db2.gz IJOFHJBZMXRMGA-WCABBAIRSA-N 2 2 252.318 -0.179 20 0 CBADLP Cn1c[nH+]c(CCNC(=O)C[C@@H]([NH3+])CCCC[NH3+])c1 ZINC001219634531 824869124 /nfs/dbraw/zinc/86/91/24/824869124.db2.gz ZFBSXGAOWVNQLF-NSHDSACASA-N 3 2 267.377 -0.075 20 0 CBADLP COC(=O)[C@@H]([NH3+])CC(=O)NC[C@H]1C[NH2+]C[C@H](C)C1 ZINC001219641851 824869403 /nfs/dbraw/zinc/86/94/03/824869403.db2.gz MBXJPTLFMFKZJL-BBBLOLIVSA-N 2 2 257.334 -0.761 20 0 CBADLP COC(=O)[C@@H]1C[C@H](C(=O)NC[C@@H]2C[NH2+]C[C@@H](C)C2)CC[NH2+]1 ZINC001219646797 824873350 /nfs/dbraw/zinc/87/33/50/824873350.db2.gz XZYPUUUKYSIQFK-RVMXOQNASA-N 2 2 297.399 -0.111 20 0 CBADLP C[C@H]1C[NH2+]C[C@@H](CNC(=O)c2n[nH]c3c2C[NH2+]C3)C1 ZINC001219661279 824874388 /nfs/dbraw/zinc/87/43/88/824874388.db2.gz AXKNWVCTZTZJCL-BDAKNGLRSA-N 2 2 263.345 -0.012 20 0 CBADLP COC(=O)c1csc(CNC(=O)C2([NH3+])CC[NH2+]CC2)n1 ZINC001219666256 824876133 /nfs/dbraw/zinc/87/61/33/824876133.db2.gz GMGZPOJBLPIDNO-UHFFFAOYSA-N 2 2 298.368 -0.373 20 0 CBADLP CCOC(=O)CCNC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001219691316 824880152 /nfs/dbraw/zinc/88/01/52/824880152.db2.gz NKMRFXJUXMQJBB-BXKDBHETSA-N 2 2 255.318 -0.993 20 0 CBADLP C[N@@H+]1CCO[C@@H](CNC(=O)C[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001219695263 824880819 /nfs/dbraw/zinc/88/08/19/824880819.db2.gz SOEXQBXRVQWPMD-RYUDHWBXSA-N 3 2 272.393 -0.720 20 0 CBADLP C[N@H+]1CCO[C@@H](CNC(=O)C[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001219695263 824880822 /nfs/dbraw/zinc/88/08/22/824880822.db2.gz SOEXQBXRVQWPMD-RYUDHWBXSA-N 3 2 272.393 -0.720 20 0 CBADLP C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[C@@H]3CC[NH2+]C[C@H]3O2)C1 ZINC001219694134 824882393 /nfs/dbraw/zinc/88/23/93/824882393.db2.gz FRQWWDGXSFDMOB-ZDEQEGDKSA-N 2 2 283.372 -0.800 20 0 CBADLP C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[C@@H]3CC[NH2+]C[C@H]3O2)C1 ZINC001219694134 824882396 /nfs/dbraw/zinc/88/23/96/824882396.db2.gz FRQWWDGXSFDMOB-ZDEQEGDKSA-N 2 2 283.372 -0.800 20 0 CBADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)N[C@@H]2COC[C@@H]2[NH3+])cc1 ZINC001219720872 824886842 /nfs/dbraw/zinc/88/68/42/824886842.db2.gz UHAZFMIUGGSYIT-GRYCIOLGSA-N 3 2 264.329 -0.899 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NC2CC3(C2)CC[NH2+]CC3)C1 ZINC001219777837 824893565 /nfs/dbraw/zinc/89/35/65/824893565.db2.gz RXFANAPPGTVFBN-KOLCDFICSA-N 3 2 252.362 -0.676 20 0 CBADLP [NH3+]CC[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]Cc2ccsc21 ZINC001219826456 824900120 /nfs/dbraw/zinc/90/01/20/824900120.db2.gz RLMWZYHCUPWGQI-DTWKUNHWSA-N 3 2 254.359 -0.315 20 0 CBADLP CC(C)OC(=O)[C@H](C)NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001219880431 824908036 /nfs/dbraw/zinc/90/80/36/824908036.db2.gz ARDKFZDFXMWWOX-WTBMIXGQSA-N 2 2 269.345 -0.336 20 0 CBADLP CC[C@H](C)[C@@H](CO)NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001219882316 824908428 /nfs/dbraw/zinc/90/84/28/824908428.db2.gz BTALSLLRMCDWKG-INTQDDNPSA-N 2 2 254.334 -0.197 20 0 CBADLP Cn1cc2c(n1)[C@@H](CNC(=O)C1([NH3+])CC[NH2+]CC1)OCC2 ZINC001219885741 824909797 /nfs/dbraw/zinc/90/97/97/824909797.db2.gz VEVQAKWUNLZJPC-LLVKDONJSA-N 2 2 293.371 -0.769 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N[C@@H]2CCc3[nH]c(=O)ccc3C2)C1 ZINC001219891652 824911748 /nfs/dbraw/zinc/91/17/48/824911748.db2.gz YACUUAQSWMJPBY-FOGDFJRCSA-N 2 2 276.340 -0.550 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NC[C@H](O)COc1ccccc1 ZINC001219918605 824914882 /nfs/dbraw/zinc/91/48/82/824914882.db2.gz OHRHACNQKDDCOT-DRZSPHRISA-N 2 2 279.340 -0.911 20 0 CBADLP C[NH+](C)CCCCCNC(=O)[C@@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001219920211 824915349 /nfs/dbraw/zinc/91/53/49/824915349.db2.gz BMPAEZYFLNHSAE-AWEZNQCLSA-N 3 2 299.463 -0.415 20 0 CBADLP C[NH+](C)Cc1cccc(CNC(=O)[C@@H](N)C[NH3+])c1 ZINC001219943364 824918431 /nfs/dbraw/zinc/91/84/31/824918431.db2.gz FZHMXDZDVUYSTE-LBPRGKRZSA-N 2 2 250.346 -0.350 20 0 CBADLP Cc1c[nH]c(CCNC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)[nH+]1 ZINC001219951761 824919859 /nfs/dbraw/zinc/91/98/59/824919859.db2.gz AIRWMFLDNHBHSR-SNVBAGLBSA-N 3 2 263.345 -0.814 20 0 CBADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)NCCC[NH2+]C1CCCCC1 ZINC001219952116 824920991 /nfs/dbraw/zinc/92/09/91/824920991.db2.gz ONUFLHLGBJPCTR-NSHDSACASA-N 2 2 295.391 -0.502 20 0 CBADLP Cc1nonc1CNC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001219948146 824921246 /nfs/dbraw/zinc/92/12/46/824921246.db2.gz NAWSKPKIFRZSTH-XLDPMVHQSA-N 2 2 251.290 -0.784 20 0 CBADLP NC(=O)c1ccc(CNC(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)cc1 ZINC001219961532 824922562 /nfs/dbraw/zinc/92/25/62/824922562.db2.gz NVQMBSQZXBMCJS-SWLSCSKDSA-N 2 2 288.351 -0.647 20 0 CBADLP NC(=O)c1ccc(CNC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)cc1 ZINC001219961192 824922916 /nfs/dbraw/zinc/92/29/16/824922916.db2.gz IUJBMSUANYXMLU-LBPRGKRZSA-N 2 2 287.323 -0.305 20 0 CBADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)NC[C@@H]2CCC(=O)N2)cc1 ZINC001219959588 824923121 /nfs/dbraw/zinc/92/31/21/824923121.db2.gz ZMUAYFHNJPRGRK-RYUDHWBXSA-N 2 2 276.340 -0.347 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NCc1ccc2nonc2c1 ZINC001219965438 824924542 /nfs/dbraw/zinc/92/45/42/824924542.db2.gz NRNIOBUMTUIPIQ-IUCAKERBSA-N 2 2 261.285 -0.614 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NCCn1cccc1 ZINC001219970160 824926442 /nfs/dbraw/zinc/92/64/42/824926442.db2.gz WKCQRYCMOMGJEA-LBPRGKRZSA-N 2 2 261.329 -0.092 20 0 CBADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)NC[C@H]1CCCCO1 ZINC001219978115 824927434 /nfs/dbraw/zinc/92/74/34/824927434.db2.gz DBOGGLIMGXCHJD-OLZOCXBDSA-N 2 2 284.404 -0.578 20 0 CBADLP C[N@@H+]1CCC[C@H](CCNC(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)C1 ZINC001219978965 824929417 /nfs/dbraw/zinc/92/94/17/824929417.db2.gz WWSYWMRMYBHSCV-IPYPFGDCSA-N 3 2 280.416 -0.214 20 0 CBADLP C[N@H+]1CCC[C@H](CCNC(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)C1 ZINC001219978965 824929422 /nfs/dbraw/zinc/92/94/22/824929422.db2.gz WWSYWMRMYBHSCV-IPYPFGDCSA-N 3 2 280.416 -0.214 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NCc1ccncn1 ZINC001220004722 824930651 /nfs/dbraw/zinc/93/06/51/824930651.db2.gz AJGKWOFXULBOJA-NSHDSACASA-N 2 2 260.301 -0.604 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCc2cnc3[nH]ccc3c2)C1 ZINC001220013260 824934386 /nfs/dbraw/zinc/93/43/86/824934386.db2.gz NXNYTFBMNJCLFN-MNOVXSKESA-N 2 2 259.313 -0.132 20 0 CBADLP C[NH+]1CC(NC(=O)[C@H]2CCCN([C@H]3CC[NH2+]C3)C2)C1 ZINC001220013406 824934520 /nfs/dbraw/zinc/93/45/20/824934520.db2.gz USVQRVGTKDYYQQ-AAEUAGOBSA-N 2 2 266.389 -0.510 20 0 CBADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)N[C@H]2CCC(=O)NC2=O)cc1 ZINC001220031556 824939623 /nfs/dbraw/zinc/93/96/23/824939623.db2.gz XKPRYNLXOZUZOL-MNOVXSKESA-N 2 2 290.323 -0.820 20 0 CBADLP O=C(NCc1ccncc1F)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220036805 824940689 /nfs/dbraw/zinc/94/06/89/824940689.db2.gz WKEBXZCFAVYRLJ-ZWNOBZJWSA-N 2 2 264.304 -0.212 20 0 CBADLP COC(=O)C1(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)CCCC1 ZINC001220048634 824944270 /nfs/dbraw/zinc/94/42/70/824944270.db2.gz SDTIPBHGFYMUJH-RULNRJAQSA-N 2 2 281.356 -0.190 20 0 CBADLP CCCCOC(=O)[C@H](C)NC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001220049850 824944924 /nfs/dbraw/zinc/94/49/24/824944924.db2.gz UBFPLGZRGVNTPV-JTQLQIEISA-N 2 2 271.361 -0.085 20 0 CBADLP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001220061670 824947241 /nfs/dbraw/zinc/94/72/41/824947241.db2.gz BRZYKXOOYCFNAN-AGIUHOORSA-N 3 2 268.405 -0.086 20 0 CBADLP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001220061670 824947244 /nfs/dbraw/zinc/94/72/44/824947244.db2.gz BRZYKXOOYCFNAN-AGIUHOORSA-N 3 2 268.405 -0.086 20 0 CBADLP CCOC(=O)C(C)(C)NC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220063933 824948227 /nfs/dbraw/zinc/94/82/27/824948227.db2.gz KFNVVZYJOZYXFU-RNCFNFMXSA-N 2 2 269.345 -0.604 20 0 CBADLP CCOC(=O)C(C)(C)NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220063999 824948293 /nfs/dbraw/zinc/94/82/93/824948293.db2.gz MLGHJCLDWCUHEX-SECBINFHSA-N 2 2 268.317 -0.263 20 0 CBADLP COCC1(NC(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)CCC1 ZINC001220063964 824949130 /nfs/dbraw/zinc/94/91/30/824949130.db2.gz LIDRJQVKQIZEIE-NSHDSACASA-N 2 2 266.345 -0.025 20 0 CBADLP COCC1(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)CCC1 ZINC001220064162 824949195 /nfs/dbraw/zinc/94/91/95/824949195.db2.gz UCAVCTHCPGJQEL-BREBYQMCSA-N 2 2 253.346 -0.107 20 0 CBADLP Cc1ncc(CO)c(CNC(=O)C2([NH3+])CC[NH2+]CC2)c1O ZINC001220093200 824953331 /nfs/dbraw/zinc/95/33/31/824953331.db2.gz TXKCNVIATLKSKX-UHFFFAOYSA-N 2 2 294.355 -0.715 20 0 CBADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1O ZINC001220103782 824954418 /nfs/dbraw/zinc/95/44/18/824954418.db2.gz IMPUHNDZRVMJLG-OLZOCXBDSA-N 2 2 278.356 -0.156 20 0 CBADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@H+](CC2CC2)C[C@@H]1O ZINC001220103782 824954427 /nfs/dbraw/zinc/95/44/27/824954427.db2.gz IMPUHNDZRVMJLG-OLZOCXBDSA-N 2 2 278.356 -0.156 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NC[C@@H](O)c1ccc(O)cc1 ZINC001220115407 824958256 /nfs/dbraw/zinc/95/82/56/824958256.db2.gz NDBLJUCHPNLIFM-SDDRHHMPSA-N 2 2 265.313 -0.912 20 0 CBADLP [NH3+]C1(C(=O)N[C@@H](CO)Cc2ccc(O)cc2)CC[NH2+]CC1 ZINC001220117666 824960261 /nfs/dbraw/zinc/96/02/61/824960261.db2.gz OUSAPZGXBJMSGI-GFCCVEGCSA-N 2 2 293.367 -0.507 20 0 CBADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC1(F)CCOCC1 ZINC001220137075 824963434 /nfs/dbraw/zinc/96/34/34/824963434.db2.gz QLAAZBBBUORKPB-JTQLQIEISA-N 2 2 270.308 -0.086 20 0 CBADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCOC(F)(F)F ZINC001220138707 824965517 /nfs/dbraw/zinc/96/55/17/824965517.db2.gz DILTXEFCOFPXCH-ZETCQYMHSA-N 2 2 266.223 -0.068 20 0 CBADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NCc1cc[nH]c(=O)c1 ZINC001220148216 824969298 /nfs/dbraw/zinc/96/92/98/824969298.db2.gz QTVJECJOPPENPA-SNVBAGLBSA-N 2 2 261.285 -0.304 20 0 CBADLP N=C(NC(=O)C1([NH3+])CC[NH2+]CC1)c1nccs1 ZINC001220154613 824971232 /nfs/dbraw/zinc/97/12/32/824971232.db2.gz VJDJTPREJDLPPD-UHFFFAOYSA-N 2 2 253.331 -0.334 20 0 CBADLP O=C(N[C@H]1CCC[C@]2(CC[NH2+]C2)C1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220163381 824974256 /nfs/dbraw/zinc/97/42/56/824974256.db2.gz QFLBUBFJIFHSCU-IPVBOJNNSA-N 3 2 292.427 -0.025 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N[C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC001220161582 824974896 /nfs/dbraw/zinc/97/48/96/824974896.db2.gz DHKMWSDXOKYIHI-NRWUCQMLSA-N 3 2 266.389 -0.286 20 0 CBADLP COC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001220163612 824975158 /nfs/dbraw/zinc/97/51/58/824975158.db2.gz SDMHVMOOHWKMEG-COPLHBTASA-N 2 2 283.372 -0.085 20 0 CBADLP O=C(N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220161399 824975236 /nfs/dbraw/zinc/97/52/36/824975236.db2.gz CGJAHHJFMBABAZ-LUYZLQTOSA-N 3 2 292.427 -0.024 20 0 CBADLP N=C(NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)c1ccc(F)cn1 ZINC001220170455 824976514 /nfs/dbraw/zinc/97/65/14/824976514.db2.gz KRPBULJOLFAMOC-APPZFPTMSA-N 2 2 251.265 -0.649 20 0 CBADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)N[C@H]2COCC[C@@H]2O)cc1 ZINC001220181261 824979506 /nfs/dbraw/zinc/97/95/06/824979506.db2.gz GVGWRRHNWGSXDI-AVGNSLFASA-N 2 2 279.340 -0.475 20 0 CBADLP C[C@H](NC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2)c1cncnc1 ZINC001220183547 824981221 /nfs/dbraw/zinc/98/12/21/824981221.db2.gz SASQBQVWXAVCDS-NDMJEZRESA-N 2 2 261.329 -0.395 20 0 CBADLP N[C@@]1(C(=O)NC[C@H]2CC[NH2+]CC2(F)F)CCC[NH2+]C1 ZINC001220186401 824982131 /nfs/dbraw/zinc/98/21/31/824982131.db2.gz PFVKHAOADOJNLD-KOLCDFICSA-N 2 2 276.331 -0.572 20 0 CBADLP [NH3+]CCC[C@@H]([NH3+])C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC001220187009 824983372 /nfs/dbraw/zinc/98/33/72/824983372.db2.gz XDEQRGMJMPKXQA-RKDXNWHRSA-N 3 2 264.320 -0.586 20 0 CBADLP O=C(NC[C@H]1CC[NH2+]CC1(F)F)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001220185221 824983483 /nfs/dbraw/zinc/98/34/83/824983483.db2.gz CIUZVPICUBWDBS-IWSPIJDZSA-N 2 2 263.288 -0.930 20 0 CBADLP O=C(NCC1([NH+]2CCCC2)COC1)[C@@H]1CC[NH2+]C[C@H]1F ZINC001220197841 824984406 /nfs/dbraw/zinc/98/44/06/824984406.db2.gz UDRBPWHTXKZEFU-VXGBXAGGSA-N 2 2 285.363 -0.085 20 0 CBADLP O=C(NCC1([NH+]2CCCC2)COC1)[C@H]1CC[NH2+]C[C@@H]1F ZINC001220197840 824985125 /nfs/dbraw/zinc/98/51/25/824985125.db2.gz UDRBPWHTXKZEFU-RYUDHWBXSA-N 2 2 285.363 -0.085 20 0 CBADLP CCOC(=O)CC1(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)COC1 ZINC001220215414 824987976 /nfs/dbraw/zinc/98/79/76/824987976.db2.gz WBRVCBBFZXDLEQ-RULNRJAQSA-N 2 2 297.355 -0.953 20 0 CBADLP C[N@@H+]1CCC[C@H]1CCNC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001220252382 824995721 /nfs/dbraw/zinc/99/57/21/824995721.db2.gz YLRAQBXHAUYQEI-NSHDSACASA-N 3 2 254.378 -0.332 20 0 CBADLP C[N@H+]1CCC[C@H]1CCNC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001220252382 824995726 /nfs/dbraw/zinc/99/57/26/824995726.db2.gz YLRAQBXHAUYQEI-NSHDSACASA-N 3 2 254.378 -0.332 20 0 CBADLP C[NH+](C)CC(C)(C)CNC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220254712 824997035 /nfs/dbraw/zinc/99/70/35/824997035.db2.gz VBPDPHKJUAZLQT-RISCZKNCSA-N 3 2 268.405 -0.358 20 0 CBADLP Cc1[nH+]c[nH]c1CSCCNC(=O)[C@@H]1C[NH2+]C[C@H]1O ZINC001220256937 824998583 /nfs/dbraw/zinc/99/85/83/824998583.db2.gz JJTLAQYCOYDCJF-MWLCHTKSSA-N 2 2 284.385 -0.352 20 0 CBADLP COCCn1c[nH+]cc1CNC(=O)[C@@]1(N)CCC[NH2+]C1 ZINC001220274625 825002885 /nfs/dbraw/zinc/00/28/85/825002885.db2.gz LDYYPPKWBLJLDG-CYBMUJFWSA-N 2 2 281.360 -0.773 20 0 CBADLP Cn1cc(CCNC(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)cn1 ZINC001220276792 825003911 /nfs/dbraw/zinc/00/39/11/825003911.db2.gz QWCCSVZVUFHYSS-YPMHNXCESA-N 2 2 263.345 -0.970 20 0 CBADLP NC(=O)CCNC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001220277133 825003978 /nfs/dbraw/zinc/00/39/78/825003978.db2.gz YQDUPTBXJPWNEH-SNVBAGLBSA-N 2 2 250.302 -0.750 20 0 CBADLP O=C(C=C1CC[NH2+]CC1)N[C@@H](CO)Cc1c[nH]c[nH+]1 ZINC001220290625 825007719 /nfs/dbraw/zinc/00/77/19/825007719.db2.gz AQWSXVGEKVTNHB-GFCCVEGCSA-N 2 2 264.329 -0.261 20 0 CBADLP O=C(C=C1CC[NH2+]CC1)N[C@@H](CO)Cc1c[nH+]c[nH]1 ZINC001220290625 825007725 /nfs/dbraw/zinc/00/77/25/825007725.db2.gz AQWSXVGEKVTNHB-GFCCVEGCSA-N 2 2 264.329 -0.261 20 0 CBADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220316892 825013830 /nfs/dbraw/zinc/01/38/30/825013830.db2.gz UMJBYDSKNMAEMN-OBJOEFQTSA-N 3 2 293.371 -0.693 20 0 CBADLP Cc1cc(NC(=O)C[NH2+]C2CC[NH2+]CC2)n(N)c(=O)c1 ZINC001220323182 825015064 /nfs/dbraw/zinc/01/50/64/825015064.db2.gz CUUBCVDGAZKAOS-UHFFFAOYSA-N 2 2 279.344 -0.849 20 0 CBADLP COc1ccc(CNC(=O)C2([NH3+])CC[NH2+]CC2)nn1 ZINC001220343633 825020503 /nfs/dbraw/zinc/02/05/03/825020503.db2.gz VURCYGVYHFLLPO-UHFFFAOYSA-N 2 2 265.317 -0.818 20 0 CBADLP C[C@@H](NC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C)c1cnccn1 ZINC001220368767 825021987 /nfs/dbraw/zinc/02/19/87/825021987.db2.gz LYIXWQOTEJTNDV-KOLCDFICSA-N 2 2 274.328 -0.043 20 0 CBADLP CCOC(=O)C1(CNC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)CCC1 ZINC001220370916 825022058 /nfs/dbraw/zinc/02/20/58/825022058.db2.gz ILKVBOOZCWTIGU-SDDRHHMPSA-N 2 2 295.383 -0.214 20 0 CBADLP O=C(NCc1ncccc1O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220389687 825026320 /nfs/dbraw/zinc/02/63/20/825026320.db2.gz BULVMQIYBYKZHG-NOZJJQNGSA-N 2 2 262.313 -0.645 20 0 CBADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)NCc1cc[nH]c1 ZINC001220388534 825027002 /nfs/dbraw/zinc/02/70/02/825027002.db2.gz YNSBFCIKMVLTQI-LBPRGKRZSA-N 2 2 265.361 -0.619 20 0 CBADLP COc1ccc(CCNC(=O)C2([NH3+])CC[NH2+]CC2)nc1 ZINC001220396425 825028307 /nfs/dbraw/zinc/02/83/07/825028307.db2.gz BCEFWCMIQBGIKT-UHFFFAOYSA-N 2 2 278.356 -0.170 20 0 CBADLP O=C(NCC12CC[NH+](CC1)CC2)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220395066 825028416 /nfs/dbraw/zinc/02/84/16/825028416.db2.gz UKPLTYPMUHJCKI-RWMBFGLXSA-N 3 2 278.400 -0.462 20 0 CBADLP COC(=O)[C@H]1CC[C@@H](NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)C1 ZINC001220405791 825032365 /nfs/dbraw/zinc/03/23/65/825032365.db2.gz DDKIQXAYZHJQBJ-QDWKJQELSA-N 2 2 281.356 -0.334 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N[C@@H]1c2ccccc2CNC1=O ZINC001220406624 825033550 /nfs/dbraw/zinc/03/35/50/825033550.db2.gz UUVWFWNXFYEAGN-SDDRHHMPSA-N 2 2 274.324 -0.980 20 0 CBADLP NC[C@@H]([NH3+])c1ccc(C(=O)NC[C@@H]2COCC[NH2+]2)cc1 ZINC001220431588 825039829 /nfs/dbraw/zinc/03/98/29/825039829.db2.gz KKWXIHNTPVWRNA-CHWSQXEVSA-N 2 2 278.356 -0.637 20 0 CBADLP NC[C@@H]([NH3+])c1ccc(C(=O)NC[C@H]2COCC[NH2+]2)cc1 ZINC001220431590 825039899 /nfs/dbraw/zinc/03/98/99/825039899.db2.gz KKWXIHNTPVWRNA-QWHCGFSZSA-N 2 2 278.356 -0.637 20 0 CBADLP [NH3+][C@@H](Cc1c[nH]cn1)C(=O)NC1CC[NH+](CCF)CC1 ZINC001220435566 825040209 /nfs/dbraw/zinc/04/02/09/825040209.db2.gz JKSXIEGVWQECDB-LBPRGKRZSA-N 2 2 283.351 -0.170 20 0 CBADLP [NH3+][C@@H](Cc1cnc[nH]1)C(=O)NC1CC[NH+](CCF)CC1 ZINC001220435566 825040215 /nfs/dbraw/zinc/04/02/15/825040215.db2.gz JKSXIEGVWQECDB-LBPRGKRZSA-N 2 2 283.351 -0.170 20 0 CBADLP Cc1[nH][nH]c(=O)c1CCNC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220492494 825047434 /nfs/dbraw/zinc/04/74/34/825047434.db2.gz MOZVKQSMKVAADZ-TVQRCGJNSA-N 2 2 279.344 -0.966 20 0 CBADLP O=C(NCc1cccc2ccnn21)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220554032 825060115 /nfs/dbraw/zinc/06/01/15/825060115.db2.gz XXNRUONKACMXAB-ABAIWWIYSA-N 2 2 285.351 -0.098 20 0 CBADLP C[C@@H]1COCC[C@@H]1NC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220566002 825064952 /nfs/dbraw/zinc/06/49/52/825064952.db2.gz WTOBPEHAJRHLMV-HNCHTBHHSA-N 2 2 253.346 -0.521 20 0 CBADLP CC(C)(O)CCCNC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001220573273 825068482 /nfs/dbraw/zinc/06/84/82/825068482.db2.gz JRSPTVBDFGOLAS-BREBYQMCSA-N 2 2 255.362 -0.125 20 0 CBADLP C[C@@H](NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)c1ncc(F)cn1 ZINC001220598724 825074284 /nfs/dbraw/zinc/07/42/84/825074284.db2.gz BAEBNCJZMZUURU-VDAHYXPESA-N 2 2 253.281 -0.518 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N[C@@H]1NC(=O)c2ccccc21 ZINC001220620242 825077330 /nfs/dbraw/zinc/07/73/30/825077330.db2.gz QYNDHXLHWROHPD-STQMWFEESA-N 2 2 299.334 -0.152 20 0 CBADLP CCOC(=O)[C@@H]1CCC[C@@H]1NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001220661144 825082378 /nfs/dbraw/zinc/08/23/78/825082378.db2.gz UMXGVUOLAOGVMQ-RCWTZXSCSA-N 2 2 269.345 -0.619 20 0 CBADLP CC(C)(F)c1ncncc1CNC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001220674394 825084383 /nfs/dbraw/zinc/08/43/83/825084383.db2.gz XTJSGAGFRMFXIX-UWVGGRQHSA-N 2 2 281.335 -0.156 20 0 CBADLP CC(C)(C)NC(=O)CCNC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220708969 825088849 /nfs/dbraw/zinc/08/88/49/825088849.db2.gz NSFPUGUEGBHRJP-GARJFASQSA-N 2 2 282.388 -0.643 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCC2Oc3ccccc3O2)C1 ZINC001220709231 825088995 /nfs/dbraw/zinc/08/89/95/825088995.db2.gz UCBAQPXUYWFWDG-BDAKNGLRSA-N 2 2 263.297 -0.411 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NCCC(=O)NC(C)(C)C ZINC001220708860 825089595 /nfs/dbraw/zinc/08/95/95/825089595.db2.gz JRPWVAMVENERSV-NSHDSACASA-N 2 2 295.387 -0.289 20 0 CBADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])C2 ZINC001220717064 825094517 /nfs/dbraw/zinc/09/45/17/825094517.db2.gz YILGPWKFKRUYAI-WJTVCTBASA-N 3 2 266.389 -0.335 20 0 CBADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])C2 ZINC001220717064 825094523 /nfs/dbraw/zinc/09/45/23/825094523.db2.gz YILGPWKFKRUYAI-WJTVCTBASA-N 3 2 266.389 -0.335 20 0 CBADLP COC(CCCNC(=O)C1([NH3+])CC[NH2+]CC1)OC ZINC001220740998 825096154 /nfs/dbraw/zinc/09/61/54/825096154.db2.gz APWFFXSZFJMNOJ-UHFFFAOYSA-N 2 2 259.350 -0.417 20 0 CBADLP CC(=O)NCCCCCNC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220759419 825097280 /nfs/dbraw/zinc/09/72/80/825097280.db2.gz ZJWCZDGCFNHNHT-JSGCOSHPSA-N 2 2 282.388 -0.640 20 0 CBADLP CC(=O)NC[C@H](C)CNC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220757210 825097496 /nfs/dbraw/zinc/09/74/96/825097496.db2.gz XCTLISBZHXNJPE-GZMMTYOYSA-N 2 2 267.333 -0.832 20 0 CBADLP CC(=O)NC[C@@H](C)CNC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001220757037 825097822 /nfs/dbraw/zinc/09/78/22/825097822.db2.gz QYRBSCYGSDRRFG-VUXODMRMSA-N 2 2 268.361 -0.903 20 0 CBADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)[C@H]1CC[C@@H]1[NH3+] ZINC001220769318 825099110 /nfs/dbraw/zinc/09/91/10/825099110.db2.gz MPIREXOXFZCMLI-DCAQKATOSA-N 2 2 280.328 -0.642 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N[C@@H]1C[C@H](O)C1(C)C ZINC001220765683 825099765 /nfs/dbraw/zinc/09/97/65/825099765.db2.gz CMFBRQHVUVPZJI-AXFHLTTASA-N 2 2 266.345 -0.435 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N[C@@]23CC[C@@]([NH3+])(C2)CCC3)C1 ZINC001220779521 825101399 /nfs/dbraw/zinc/10/13/99/825101399.db2.gz USMJXAZETSCQBI-DNIRFERGSA-N 3 2 252.362 -0.404 20 0 CBADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)NC[C@@H]2CC[NH2+][C@H]2c2cccnc2)C1 ZINC001220788594 825102095 /nfs/dbraw/zinc/10/20/95/825102095.db2.gz FHEMOSDFFAZQHA-XUXIUFHCSA-N 3 2 289.383 -0.462 20 0 CBADLP COc1cc(CNC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)cc(OC)c1O ZINC001220812977 825105502 /nfs/dbraw/zinc/10/55/02/825105502.db2.gz WLFUBCGFEOLXHD-ZJUUUORDSA-N 2 2 295.339 -0.285 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCCN2CCC(F)(F)C2)C1 ZINC001220808359 825106121 /nfs/dbraw/zinc/10/61/21/825106121.db2.gz NYFKGDHLLNFLMD-BDAKNGLRSA-N 2 2 262.304 -0.867 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NCc1ccc(O)cc1F ZINC001220821588 825106322 /nfs/dbraw/zinc/10/63/22/825106322.db2.gz NUABYELSCKDXFC-ONGXEEELSA-N 2 2 253.277 -0.306 20 0 CBADLP COC(=O)c1cncc(CNC(=O)C2([NH3+])CC[NH2+]CC2)c1 ZINC001220843016 825110508 /nfs/dbraw/zinc/11/05/08/825110508.db2.gz GSQYVMSMNKWWTP-UHFFFAOYSA-N 2 2 292.339 -0.435 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NCc1ccc(C2OCCO2)cc1 ZINC001220838226 825111141 /nfs/dbraw/zinc/11/11/41/825111141.db2.gz GIGAOJWMODUIME-STQMWFEESA-N 2 2 291.351 -0.105 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC001220857886 825114137 /nfs/dbraw/zinc/11/41/37/825114137.db2.gz WNRPBLPQXQLCLD-QWRGUYRKSA-N 3 2 267.377 -0.221 20 0 CBADLP COc1cncc(CNC(=O)C2([NH3+])CC[NH2+]CC2)c1 ZINC001220872271 825117481 /nfs/dbraw/zinc/11/74/81/825117481.db2.gz RETORAOEJKLPAR-UHFFFAOYSA-N 2 2 264.329 -0.213 20 0 CBADLP COC(=O)[C@H]1C[C@@H]1CNC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220881978 825119364 /nfs/dbraw/zinc/11/93/64/825119364.db2.gz QRKISORNUQERIU-JEZHCXPESA-N 2 2 266.301 -0.795 20 0 CBADLP COC(=O)[C@@H]1C[C@@H]1CNC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220881979 825119734 /nfs/dbraw/zinc/11/97/34/825119734.db2.gz QRKISORNUQERIU-QNSHHTMESA-N 2 2 266.301 -0.795 20 0 CBADLP CC(C)[N@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@@H](O)C1 ZINC001220888311 825121281 /nfs/dbraw/zinc/12/12/81/825121281.db2.gz JRDXCERZTOUFGO-OLZOCXBDSA-N 2 2 280.372 -0.078 20 0 CBADLP CC(C)[N@@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@@H](O)C1 ZINC001220888311 825121287 /nfs/dbraw/zinc/12/12/87/825121287.db2.gz JRDXCERZTOUFGO-OLZOCXBDSA-N 2 2 280.372 -0.078 20 0 CBADLP CCC(=O)N1CC[C@H](NC(=O)C2([NH3+])CC[NH2+]CC2)C1 ZINC001220907169 825122016 /nfs/dbraw/zinc/12/20/16/825122016.db2.gz KAMKOVNIOWLZSD-JTQLQIEISA-N 2 2 268.361 -0.806 20 0 CBADLP [NH3+]C[C@H](O)CC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC001220934009 825125142 /nfs/dbraw/zinc/12/51/42/825125142.db2.gz GCXPKJNUOPPTJE-GHMZBOCLSA-N 2 2 264.329 -0.514 20 0 CBADLP Cc1noc(C2(NC(=O)[C@@H]([NH3+])Cc3c[nH+]c[nH]3)CC2)n1 ZINC001220932358 825126333 /nfs/dbraw/zinc/12/63/33/825126333.db2.gz KUZQTVOXRZVODX-VIFPVBQESA-N 2 2 276.300 -0.224 20 0 CBADLP [NH3+]C1(C(=O)N[C@@H]2CCN(c3ccccn3)C2)CC[NH2+]CC1 ZINC001220934774 825126363 /nfs/dbraw/zinc/12/63/63/825126363.db2.gz VVFUJTUEROHATL-GFCCVEGCSA-N 2 2 289.383 -0.143 20 0 CBADLP Cc1noc(C2(NC(=O)[C@@H]([NH3+])Cc3c[nH+]cn3C)CC2)n1 ZINC001220932163 825126430 /nfs/dbraw/zinc/12/64/30/825126430.db2.gz HUQFDIWKXJZZSM-JTQLQIEISA-N 2 2 290.327 -0.213 20 0 CBADLP CCOCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001220979499 825131501 /nfs/dbraw/zinc/13/15/01/825131501.db2.gz NCOCLVQWTGBLKI-OLZOCXBDSA-N 2 2 296.371 -0.611 20 0 CBADLP CCOCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001220979499 825131506 /nfs/dbraw/zinc/13/15/06/825131506.db2.gz NCOCLVQWTGBLKI-OLZOCXBDSA-N 2 2 296.371 -0.611 20 0 CBADLP C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)CCO1 ZINC001221008644 825136061 /nfs/dbraw/zinc/13/60/61/825136061.db2.gz XQWCFMBELCPWGC-HHHUOAJASA-N 2 2 253.346 -0.380 20 0 CBADLP O=C(NCCc1nncs1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001221013415 825136851 /nfs/dbraw/zinc/13/68/51/825136851.db2.gz QSQLALQKQQYYSM-GZMMTYOYSA-N 2 2 267.358 -0.852 20 0 CBADLP O=C(NCCc1nncs1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001221013417 825137337 /nfs/dbraw/zinc/13/73/37/825137337.db2.gz QSQLALQKQQYYSM-KWQFWETISA-N 2 2 267.358 -0.852 20 0 CBADLP COC[C@@H](NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)C1CC1 ZINC001221013817 825137482 /nfs/dbraw/zinc/13/74/82/825137482.db2.gz XXJFTFCHFZTQAU-WDEREUQCSA-N 2 2 252.318 -0.179 20 0 CBADLP O=C(NCc1c[nH+]cn1C1CCC1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001221023956 825138286 /nfs/dbraw/zinc/13/82/86/825138286.db2.gz WQFRGBWWYVEYTA-RYUDHWBXSA-N 2 2 264.329 -0.053 20 0 CBADLP O=C(NCc1c[nH+]cn1C1CCC1)[C@H]1[NH2+]CC[C@H]1O ZINC001221026464 825140458 /nfs/dbraw/zinc/14/04/58/825140458.db2.gz WGCPEZFWZFSTCG-NEPJUHHUSA-N 2 2 264.329 -0.053 20 0 CBADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NC1(c2cnccn2)CC1 ZINC001221082201 825141419 /nfs/dbraw/zinc/14/14/19/825141419.db2.gz LGTHILINBSSIHW-SNVBAGLBSA-N 2 2 272.312 -0.125 20 0 CBADLP COC(=O)c1ccc(CNC(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)[nH]1 ZINC001221079892 825142023 /nfs/dbraw/zinc/14/20/23/825142023.db2.gz NJUMMZOHHRIYEH-LKFCYVNXSA-N 2 2 292.339 -0.631 20 0 CBADLP Cc1nccnc1CNC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001221102898 825143127 /nfs/dbraw/zinc/14/31/27/825143127.db2.gz DFHIZWGPZDYEBW-NSHDSACASA-N 2 2 274.328 -0.295 20 0 CBADLP O=C(NCc1ccnn1CCF)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001221105873 825145411 /nfs/dbraw/zinc/14/54/11/825145411.db2.gz DWIRMIPJIUUWLU-MFKMUULPSA-N 2 2 281.335 -0.580 20 0 CBADLP O=C(NCc1ccnn1CCF)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001221105874 825145503 /nfs/dbraw/zinc/14/55/03/825145503.db2.gz DWIRMIPJIUUWLU-ZWNOBZJWSA-N 2 2 281.335 -0.580 20 0 CBADLP CCn1cc(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)ccc1=O ZINC001221177058 825151119 /nfs/dbraw/zinc/15/11/19/825151119.db2.gz ZRDKBZQIRPIKLC-SCZZXKLOSA-N 2 2 250.302 -0.504 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NCc1nc2cc[nH]cc-2n1 ZINC001221194724 825152707 /nfs/dbraw/zinc/15/27/07/825152707.db2.gz TZYOUSNZHPXGPA-YUMQZZPRSA-N 2 2 260.301 -0.879 20 0 CBADLP O=C(NCc1nc2cc[nH]cc-2n1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001221194069 825153340 /nfs/dbraw/zinc/15/33/40/825153340.db2.gz KUGYTJUHIIMSQE-XPTSAGLGSA-N 2 2 286.339 -0.474 20 0 CBADLP CCCC[C@H](NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2)C(N)=O ZINC001221234098 825156697 /nfs/dbraw/zinc/15/66/97/825156697.db2.gz CJSAINDKHXXCLP-DNJQJEMRSA-N 2 2 268.361 -0.632 20 0 CBADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)NC2CN(C3COC3)C2)cc1 ZINC001221245773 825160303 /nfs/dbraw/zinc/16/03/03/825160303.db2.gz CAFAVJLXHBVALG-AWEZNQCLSA-N 2 2 290.367 -0.542 20 0 CBADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCOC[C@@H]1F ZINC001221244239 825160421 /nfs/dbraw/zinc/16/04/21/825160421.db2.gz TXJSEBHESVMDTA-IVZWLZJFSA-N 2 2 256.281 -0.477 20 0 CBADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)NC[C@]1(CC2CC2)CCC[NH2+]1 ZINC001221246284 825161671 /nfs/dbraw/zinc/16/16/71/825161671.db2.gz WLLIGTWTFUXJHW-GXFFZTMASA-N 2 2 293.375 -0.892 20 0 CBADLP [NH3+]C1(C(=O)NC[C@H]2c3ccccc3NC2=O)CC[NH2+]CC1 ZINC001221309175 825170136 /nfs/dbraw/zinc/17/01/36/825170136.db2.gz JWVWWRFHIXWYPL-NSHDSACASA-N 2 2 288.351 -0.081 20 0 CBADLP Cc1cnc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)c(=O)[nH]1 ZINC001221328179 825170807 /nfs/dbraw/zinc/17/08/07/825170807.db2.gz JOQNBZUOAGYGCX-QMMMGPOBSA-N 2 2 262.273 -0.690 20 0 CBADLP O=C(NCc1cnc(Cl)cn1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001221319291 825170921 /nfs/dbraw/zinc/17/09/21/825170921.db2.gz UONRESBJCWBLGI-UFBFGSQYSA-N 2 2 281.747 -0.302 20 0 CBADLP Cc1ncsc1CCNC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001221328925 825171485 /nfs/dbraw/zinc/17/14/85/825171485.db2.gz OPLXCOGZDPZVEO-IUCAKERBSA-N 2 2 254.359 -0.343 20 0 CBADLP CCn1nnc2c1[C@H](C(=O)NCCCC[NH3+])C[NH2+]C2 ZINC001221344249 825174462 /nfs/dbraw/zinc/17/44/62/825174462.db2.gz XJNAHZGNIFXSKI-SECBINFHSA-N 2 2 266.349 -0.660 20 0 CBADLP COC1CC(CNC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)C1 ZINC001221365569 825176364 /nfs/dbraw/zinc/17/63/64/825176364.db2.gz ABDCECMCHMHWQV-DNHJWGCGSA-N 2 2 253.346 -0.251 20 0 CBADLP N[C@]1(C(=O)NCCOc2cc[nH+]cc2)CC[NH2+]C1 ZINC001221393821 825181274 /nfs/dbraw/zinc/18/12/74/825181274.db2.gz NYZPRQNVKJOXPA-GFCCVEGCSA-N 2 2 250.302 -0.733 20 0 CBADLP [NH3+][C@@H](C(=O)NCCOc1cc[nH+]cc1)C1CC[NH2+]CC1 ZINC001221393431 825181404 /nfs/dbraw/zinc/18/14/04/825181404.db2.gz DHMCLIGXAHCJNA-CYBMUJFWSA-N 3 2 278.356 -0.097 20 0 CBADLP C[C@]1(NC(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)CCCOC1 ZINC001221402345 825182791 /nfs/dbraw/zinc/18/27/91/825182791.db2.gz DRZHZOZYMHITPE-DRZSPHRISA-N 2 2 253.346 -0.377 20 0 CBADLP [NH3+]C1(C(=O)N[C@H](C2CCC2)C2C[NH2+]C2)CC[NH2+]CC1 ZINC001221408031 825185613 /nfs/dbraw/zinc/18/56/13/825185613.db2.gz GDIMGAQJCVCUOB-GFCCVEGCSA-N 3 2 266.389 -0.428 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N[C@@H](C1CCC1)C1C[NH2+]C1 ZINC001221414847 825187272 /nfs/dbraw/zinc/18/72/72/825187272.db2.gz UDDOLCLTHLSYBZ-SRVKXCTJSA-N 3 2 252.362 -0.963 20 0 CBADLP CCC[N@H+](C)CC(=O)N1C[C@H]2CC[NH+](CC(=O)NC)C[C@H]21 ZINC001221968443 825197712 /nfs/dbraw/zinc/19/77/12/825197712.db2.gz OOKMXBNAUMOLQN-CHWSQXEVSA-N 2 2 296.415 -0.393 20 0 CBADLP CCC[N@@H+](C)CC(=O)N1C[C@H]2CC[NH+](CC(=O)NC)C[C@H]21 ZINC001221968443 825197715 /nfs/dbraw/zinc/19/77/15/825197715.db2.gz OOKMXBNAUMOLQN-CHWSQXEVSA-N 2 2 296.415 -0.393 20 0 CBADLP CCC[NH+](C)CC(=O)N1C[C@H]2CC[N@H+](CC(=O)NC)C[C@H]21 ZINC001221968443 825197717 /nfs/dbraw/zinc/19/77/17/825197717.db2.gz OOKMXBNAUMOLQN-CHWSQXEVSA-N 2 2 296.415 -0.393 20 0 CBADLP CCC[NH+](C)CC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC)C[C@H]21 ZINC001221968443 825197720 /nfs/dbraw/zinc/19/77/20/825197720.db2.gz OOKMXBNAUMOLQN-CHWSQXEVSA-N 2 2 296.415 -0.393 20 0 CBADLP CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001222099178 825200451 /nfs/dbraw/zinc/20/04/51/825200451.db2.gz UMFVTIHYVQPQIP-GFCCVEGCSA-N 2 2 293.371 -0.400 20 0 CBADLP CNC(=O)C[NH2+][C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001222099214 825201382 /nfs/dbraw/zinc/20/13/82/825201382.db2.gz VCCJYMFAOJOSNH-LLVKDONJSA-N 2 2 279.344 -0.790 20 0 CBADLP OCCCCC[N@H+]1CCOC[C@]2(C[NH2+]CCO2)C1 ZINC001222186571 825203344 /nfs/dbraw/zinc/20/33/44/825203344.db2.gz MBJAKUVHUQBIFB-ZDUSSCGKSA-N 2 2 258.362 -0.160 20 0 CBADLP OCCCCC[N@@H+]1CCOC[C@]2(C[NH2+]CCO2)C1 ZINC001222186571 825203335 /nfs/dbraw/zinc/20/33/35/825203335.db2.gz MBJAKUVHUQBIFB-ZDUSSCGKSA-N 2 2 258.362 -0.160 20 0 CBADLP Nc1[nH]cc(CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)[nH+]1 ZINC001222514999 825214125 /nfs/dbraw/zinc/21/41/25/825214125.db2.gz HXAGLCIVUIGDAZ-QWRGUYRKSA-N 3 2 250.350 -0.482 20 0 CBADLP NC(=O)C[NH+]1CCC(CNC(=O)CCn2cc[nH+]c2)CC1 ZINC001223987157 825233817 /nfs/dbraw/zinc/23/38/17/825233817.db2.gz FTLQQYNMQDQUSB-UHFFFAOYSA-N 2 2 293.371 -0.413 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NCC1CC[NH+](CCO)CC1 ZINC001224673153 825245841 /nfs/dbraw/zinc/24/58/41/825245841.db2.gz SGVFGXGCMJMBCL-UHFFFAOYSA-N 2 2 266.345 -0.227 20 0 CBADLP CCOCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001231369821 825406265 /nfs/dbraw/zinc/40/62/65/825406265.db2.gz WLBWKQUXYRQXDB-ZIAGYGMSSA-N 2 2 299.415 -0.114 20 0 CBADLP CCOCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001231369821 825406268 /nfs/dbraw/zinc/40/62/68/825406268.db2.gz WLBWKQUXYRQXDB-ZIAGYGMSSA-N 2 2 299.415 -0.114 20 0 CBADLP CCOCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001231369821 825406270 /nfs/dbraw/zinc/40/62/70/825406270.db2.gz WLBWKQUXYRQXDB-ZIAGYGMSSA-N 2 2 299.415 -0.114 20 0 CBADLP CCOCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001231369821 825406272 /nfs/dbraw/zinc/40/62/72/825406272.db2.gz WLBWKQUXYRQXDB-ZIAGYGMSSA-N 2 2 299.415 -0.114 20 0 CBADLP CC1(C[N@@H+]2CCN3CC[NH2+]C[C@@H]3C2)CC[NH2+]CC1 ZINC001234976600 825478920 /nfs/dbraw/zinc/47/89/20/825478920.db2.gz VNOIXRSULAMYHO-CYBMUJFWSA-N 3 2 252.406 -0.035 20 0 CBADLP CC1(C[N@H+]2CCN3CC[NH2+]C[C@@H]3C2)CC[NH2+]CC1 ZINC001234976600 825478922 /nfs/dbraw/zinc/47/89/22/825478922.db2.gz VNOIXRSULAMYHO-CYBMUJFWSA-N 3 2 252.406 -0.035 20 0 CBADLP CNC(=O)CO[C@@H]1COC2(C1)CC[NH+](CC[NH3+])CC2 ZINC001235484099 825498498 /nfs/dbraw/zinc/49/84/98/825498498.db2.gz OHPZRSLTMAWBKH-NSHDSACASA-N 2 2 271.361 -0.669 20 0 CBADLP [NH3+]CC[N@@H+]1CC[C@H]2OCC[C@@H](C(=O)N3CCCO3)[C@@H]2C1 ZINC001235540103 825501957 /nfs/dbraw/zinc/50/19/57/825501957.db2.gz CWHZDOUIXMFFAH-FRRDWIJNSA-N 2 2 283.372 -0.164 20 0 CBADLP [NH3+]CC[N@H+]1CC[C@H]2OCC[C@@H](C(=O)N3CCCO3)[C@@H]2C1 ZINC001235540103 825501961 /nfs/dbraw/zinc/50/19/61/825501961.db2.gz CWHZDOUIXMFFAH-FRRDWIJNSA-N 2 2 283.372 -0.164 20 0 CBADLP C[C@H]([NH3+])C[N@@H+]1C[C@H]2CCN(S(=O)(=O)N(C)C)C[C@@H]2C1 ZINC001235613950 825507461 /nfs/dbraw/zinc/50/74/61/825507461.db2.gz ASYQNYGGYRWXNU-TUAOUCFPSA-N 2 2 290.433 -0.606 20 0 CBADLP C[C@H]([NH3+])C[N@H+]1C[C@H]2CCN(S(=O)(=O)N(C)C)C[C@@H]2C1 ZINC001235613950 825507472 /nfs/dbraw/zinc/50/74/72/825507472.db2.gz ASYQNYGGYRWXNU-TUAOUCFPSA-N 2 2 290.433 -0.606 20 0 CBADLP CCOC(=O)C[C@@H]1C(=O)NCC[N@H+]1CCCC[NH3+] ZINC001235667256 825510231 /nfs/dbraw/zinc/51/02/31/825510231.db2.gz WPHRZPDNZYYMLM-SNVBAGLBSA-N 2 2 257.334 -0.521 20 0 CBADLP CCOC(=O)C[C@@H]1C(=O)NCC[N@@H+]1CCCC[NH3+] ZINC001235667256 825510238 /nfs/dbraw/zinc/51/02/38/825510238.db2.gz WPHRZPDNZYYMLM-SNVBAGLBSA-N 2 2 257.334 -0.521 20 0 CBADLP CCn1c[nH+]cc1CN1C[C@@H]([NH3+])C[C@H]1C(=O)OC ZINC001236203030 825525593 /nfs/dbraw/zinc/52/55/93/825525593.db2.gz XNTXTWAPDZPUDT-ONGXEEELSA-N 2 2 252.318 -0.022 20 0 CBADLP COC(=O)[C@H]1C[N@H+](CCC23CC([NH3+])(C2)C3)C[C@H]1[NH3+] ZINC001236343234 825528355 /nfs/dbraw/zinc/52/83/55/825528355.db2.gz OYHGDFCTJZEXRQ-YSARLGLZSA-N 3 2 253.346 -0.310 20 0 CBADLP COC(=O)[C@H]1C[N@@H+](CCC23CC([NH3+])(C2)C3)C[C@H]1[NH3+] ZINC001236343234 825528357 /nfs/dbraw/zinc/52/83/57/825528357.db2.gz OYHGDFCTJZEXRQ-YSARLGLZSA-N 3 2 253.346 -0.310 20 0 CBADLP COC(=O)[C@@H]1CN(Cc2cccc(N)[nH+]2)C[C@H]1[NH3+] ZINC001236353760 825530718 /nfs/dbraw/zinc/53/07/18/825530718.db2.gz NLHDDEFMHYLSSN-NXEZZACHSA-N 2 2 250.302 -0.404 20 0 CBADLP CCOC(=O)[C@H]1C[N@H+](C[C@@H](C)[NH3+])CCC12C[NH2+]C2 ZINC001237411899 825535877 /nfs/dbraw/zinc/53/58/77/825535877.db2.gz QVFIYBDRJXYRFI-GHMZBOCLSA-N 3 2 255.362 -0.192 20 0 CBADLP CCOC(=O)[C@H]1C[N@@H+](C[C@@H](C)[NH3+])CCC12C[NH2+]C2 ZINC001237411899 825535881 /nfs/dbraw/zinc/53/58/81/825535881.db2.gz QVFIYBDRJXYRFI-GHMZBOCLSA-N 3 2 255.362 -0.192 20 0 CBADLP [NH3+]CCS(=O)(=O)N[C@H]1CC[N@H+](Cc2ccncc2)C1 ZINC001238807968 825564378 /nfs/dbraw/zinc/56/43/78/825564378.db2.gz LWWAFTYCIUYLSQ-LBPRGKRZSA-N 2 2 284.385 -0.466 20 0 CBADLP [NH3+]CCS(=O)(=O)N[C@H]1CC[N@@H+](Cc2ccncc2)C1 ZINC001238807968 825564386 /nfs/dbraw/zinc/56/43/86/825564386.db2.gz LWWAFTYCIUYLSQ-LBPRGKRZSA-N 2 2 284.385 -0.466 20 0 CBADLP Cc1cc(S(=O)(=O)NCC[NH2+]CC[NH3+])ccc1F ZINC001238838738 825565681 /nfs/dbraw/zinc/56/56/81/825565681.db2.gz MHBBOEUQEZOVFY-UHFFFAOYSA-N 2 2 275.349 -0.039 20 0 CBADLP CCCOC(=O)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001239334696 825598973 /nfs/dbraw/zinc/59/89/73/825598973.db2.gz LGNJZAVELILODE-UHFFFAOYSA-N 2 2 258.366 -0.383 20 0 CBADLP O=C(NCC(F)(F)F)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001239286432 825599392 /nfs/dbraw/zinc/59/93/92/825599392.db2.gz IYAFWRWAZZZNMJ-UHFFFAOYSA-N 2 2 297.325 -0.657 20 0 CBADLP CC(C)(C)NC(=S)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001239438009 825604210 /nfs/dbraw/zinc/60/42/10/825604210.db2.gz AXYSVAJYNJLBLV-UHFFFAOYSA-N 2 2 287.477 -0.256 20 0 CBADLP [NH3+]C1(CNC[C@@H](O)C[NH+]2CCOCC2)CCCC1 ZINC001245971643 825616031 /nfs/dbraw/zinc/61/60/31/825616031.db2.gz BOWAYSDFXOZVOJ-GFCCVEGCSA-N 2 2 257.378 -0.459 20 0 CBADLP O[C@@H](C[NH2+][C@@H]1C[NH2+]CC12CC2)CC1(O)CC[NH2+]CC1 ZINC001245988403 825618037 /nfs/dbraw/zinc/61/80/37/825618037.db2.gz VSAHDORYIYRZRN-VXGBXAGGSA-N 3 2 269.389 -0.807 20 0 CBADLP C[C@@H]1CC[C@@H](CNC[C@H](O)C[NH+]2CCOCC2)[NH2+]C1 ZINC001245994187 825619253 /nfs/dbraw/zinc/61/92/53/825619253.db2.gz QMKASMOCDWTQSQ-RDBSUJKOSA-N 2 2 271.405 -0.343 20 0 CBADLP COC(=O)[C@H](O)C[N@@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246024995 825625568 /nfs/dbraw/zinc/62/55/68/825625568.db2.gz RWCQFLHIRXWLLD-HTQZYQBOSA-N 2 2 252.261 -0.564 20 0 CBADLP COC(=O)[C@H](O)C[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246024995 825625571 /nfs/dbraw/zinc/62/55/71/825625571.db2.gz RWCQFLHIRXWLLD-HTQZYQBOSA-N 2 2 252.261 -0.564 20 0 CBADLP Cc1ccc(OC[C@@H](O)C[NH2+]C[C@H]2C[NH2+]CCN2)cc1 ZINC001246015069 825620817 /nfs/dbraw/zinc/62/08/17/825620817.db2.gz OIXCGLOHJMQPEB-KGLIPLIRSA-N 2 2 279.384 -0.114 20 0 CBADLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1C[C@H](O)CC1(O)CC[NH2+]CC1 ZINC001246016522 825621521 /nfs/dbraw/zinc/62/15/21/825621521.db2.gz LUGOZKAFUXIKSN-RWMBFGLXSA-N 3 2 271.405 -0.337 20 0 CBADLP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1C[C@H](O)CC1(O)CC[NH2+]CC1 ZINC001246016522 825621527 /nfs/dbraw/zinc/62/15/27/825621527.db2.gz LUGOZKAFUXIKSN-RWMBFGLXSA-N 3 2 271.405 -0.337 20 0 CBADLP [NH3+]C[C@H]1CN(C[C@@H](O)C[NH+]2CCOCC2)CCC1(F)F ZINC001246018537 825622069 /nfs/dbraw/zinc/62/20/69/825622069.db2.gz DULGGMRDOLTKNT-RYUDHWBXSA-N 2 2 293.358 -0.405 20 0 CBADLP [NH3+][C@@H]1CC[N@H+](C[C@H](O)COc2ccccc2)C[C@H]1O ZINC001246020654 825622461 /nfs/dbraw/zinc/62/24/61/825622461.db2.gz JIOPTKLXURQVAL-IACUBPJLSA-N 2 2 266.341 -0.180 20 0 CBADLP [NH3+][C@@H]1CC[N@@H+](C[C@H](O)COc2ccccc2)C[C@H]1O ZINC001246020654 825622465 /nfs/dbraw/zinc/62/24/65/825622465.db2.gz JIOPTKLXURQVAL-IACUBPJLSA-N 2 2 266.341 -0.180 20 0 CBADLP CC(C)OC[C@@H](O)C[N@@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001246021281 825623741 /nfs/dbraw/zinc/62/37/41/825623741.db2.gz FJJOWOCHLGYUEH-IHRRRGAJSA-N 2 2 271.405 -0.202 20 0 CBADLP CC(C)OC[C@@H](O)C[N@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001246021281 825623745 /nfs/dbraw/zinc/62/37/45/825623745.db2.gz FJJOWOCHLGYUEH-IHRRRGAJSA-N 2 2 271.405 -0.202 20 0 CBADLP [NH3+]C[C@]1(F)CCCC[N@H+](C[C@@H](O)CN2CCOCC2)C1 ZINC001246020984 825623843 /nfs/dbraw/zinc/62/38/43/825623843.db2.gz KRYOCPJXJAFAQT-UONOGXRCSA-N 2 2 289.395 -0.168 20 0 CBADLP [NH3+]C[C@]1(F)CCCC[N@@H+](C[C@@H](O)CN2CCOCC2)C1 ZINC001246020984 825623844 /nfs/dbraw/zinc/62/38/44/825623844.db2.gz KRYOCPJXJAFAQT-UONOGXRCSA-N 2 2 289.395 -0.168 20 0 CBADLP [NH3+][C@@H]1C[C@@H](F)CN(C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC001246021008 825624043 /nfs/dbraw/zinc/62/40/43/825624043.db2.gz KUIWDWOYICFNRI-UTUOFQBUSA-N 2 2 261.341 -0.949 20 0 CBADLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](C[C@H](O)CC2(O)CC[NH2+]CC2)C1 ZINC001246026579 825625508 /nfs/dbraw/zinc/62/55/08/825625508.db2.gz WGHIUPKLJXDBMO-HZSPNIEDSA-N 3 2 285.432 -0.089 20 0 CBADLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](C[C@H](O)CC2(O)CC[NH2+]CC2)C1 ZINC001246026579 825625511 /nfs/dbraw/zinc/62/55/11/825625511.db2.gz WGHIUPKLJXDBMO-HZSPNIEDSA-N 3 2 285.432 -0.089 20 0 CBADLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](C[C@@H](O)CN2CCOCC2)C1 ZINC001246027784 825625599 /nfs/dbraw/zinc/62/55/99/825625599.db2.gz YMNMTWKTSZIIBD-RDBSUJKOSA-N 2 2 271.405 -0.261 20 0 CBADLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](C[C@@H](O)CN2CCOCC2)C1 ZINC001246027784 825625601 /nfs/dbraw/zinc/62/56/01/825625601.db2.gz YMNMTWKTSZIIBD-RDBSUJKOSA-N 2 2 271.405 -0.261 20 0 CBADLP COc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)cc1 ZINC001246026504 825626084 /nfs/dbraw/zinc/62/60/84/825626084.db2.gz VKCLTANEYRKMKD-KCPJHIHWSA-N 2 2 296.367 -0.171 20 0 CBADLP COc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)cc1 ZINC001246026504 825626087 /nfs/dbraw/zinc/62/60/87/825626087.db2.gz VKCLTANEYRKMKD-KCPJHIHWSA-N 2 2 296.367 -0.171 20 0 CBADLP COC(=O)[C@@H](O)C[N@@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246025036 825626767 /nfs/dbraw/zinc/62/67/67/825626767.db2.gz RWCQFLHIRXWLLD-YUMQZZPRSA-N 2 2 252.261 -0.564 20 0 CBADLP COC(=O)[C@@H](O)C[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246025036 825626769 /nfs/dbraw/zinc/62/67/69/825626769.db2.gz RWCQFLHIRXWLLD-YUMQZZPRSA-N 2 2 252.261 -0.564 20 0 CBADLP O[C@@H](CN1CC[C@H]2[NH2+]CC[C@H]21)C[NH+]1CCOCC1 ZINC001246028896 825627108 /nfs/dbraw/zinc/62/71/08/825627108.db2.gz UOWWTCHXYIKNTG-JHJVBQTASA-N 2 2 255.362 -0.884 20 0 CBADLP [NH3+][C@H]1CN(C[C@@H](O)CC2(O)CC[NH2+]CC2)CCC1(F)F ZINC001246031069 825627252 /nfs/dbraw/zinc/62/72/52/825627252.db2.gz HMAQDZRSCWVCHV-QWRGUYRKSA-N 2 2 293.358 -0.480 20 0 CBADLP [NH3+][C@]12CC[C@@H]1C[N@H+](C[C@@H](O)CC1(O)CC[NH2+]CC1)C2 ZINC001246044960 825628709 /nfs/dbraw/zinc/62/87/09/825628709.db2.gz IKXVNTMPXLIFKG-DYEKYZERSA-N 3 2 269.389 -0.725 20 0 CBADLP [NH3+][C@]12CC[C@@H]1C[N@@H+](C[C@@H](O)CC1(O)CC[NH2+]CC1)C2 ZINC001246044960 825628719 /nfs/dbraw/zinc/62/87/19/825628719.db2.gz IKXVNTMPXLIFKG-DYEKYZERSA-N 3 2 269.389 -0.725 20 0 CBADLP CC[C@H]([NH3+])C[N@H+](C)C[C@@H](O)CC1(O)CC[NH2+]CC1 ZINC001246058339 825630704 /nfs/dbraw/zinc/63/07/04/825630704.db2.gz KCQUICVIXYVWCI-RYUDHWBXSA-N 3 2 259.394 -0.479 20 0 CBADLP CC[C@H]([NH3+])C[N@@H+](C)C[C@@H](O)CC1(O)CC[NH2+]CC1 ZINC001246058339 825630710 /nfs/dbraw/zinc/63/07/10/825630710.db2.gz KCQUICVIXYVWCI-RYUDHWBXSA-N 3 2 259.394 -0.479 20 0 CBADLP [NH3+]C[C@H]1CCC[N@@H+]1C[C@@H](O)CC1(O)CC[NH2+]CC1 ZINC001246065487 825632854 /nfs/dbraw/zinc/63/28/54/825632854.db2.gz PGPBHEONDRWAGL-NEPJUHHUSA-N 3 2 257.378 -0.725 20 0 CBADLP [NH3+]C[C@H]1CCC[N@H+]1C[C@@H](O)CC1(O)CC[NH2+]CC1 ZINC001246065487 825632859 /nfs/dbraw/zinc/63/28/59/825632859.db2.gz PGPBHEONDRWAGL-NEPJUHHUSA-N 3 2 257.378 -0.725 20 0 CBADLP CS(=O)(=O)N1CCC([NH2+][C@@H]2CC[NH2+]C[C@H]2F)CC1 ZINC001246086466 825635312 /nfs/dbraw/zinc/63/53/12/825635312.db2.gz LOFGMCBHFJPPNX-GHMZBOCLSA-N 2 2 279.381 -0.300 20 0 CBADLP CC[C@@]1(C(=O)OC)C[C@H](N[C@H]2CC[NH2+]C[C@@H]2F)C[NH2+]1 ZINC001246112762 825636094 /nfs/dbraw/zinc/63/60/94/825636094.db2.gz ROFLXSMPTHRFQX-ZPFDUUQYSA-N 2 2 273.352 -0.040 20 0 CBADLP COC(=O)[C@H]1C[C@H](NC[C@@H]2CC[C@H](C)C[NH2+]2)C[NH2+]1 ZINC001246115983 825637359 /nfs/dbraw/zinc/63/73/59/825637359.db2.gz UFYMNQHYDZBFLZ-FIQHERPVSA-N 2 2 255.362 -0.132 20 0 CBADLP O=C1C[C@@H]([NH2+]C[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CCN1 ZINC001246125119 825637659 /nfs/dbraw/zinc/63/76/59/825637659.db2.gz JHRGKCKBZZNNAN-NWDGAFQWSA-N 3 2 266.389 -0.271 20 0 CBADLP COC(=O)[C@@H]1C[C@H](NC[C@H]2CC[C@H](C)C[NH2+]2)C[NH2+]1 ZINC001246115998 825637736 /nfs/dbraw/zinc/63/77/36/825637736.db2.gz UFYMNQHYDZBFLZ-USZNOCQGSA-N 2 2 255.362 -0.132 20 0 CBADLP O=C1C[C@@H]([NH2+]C[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CCN1 ZINC001246125120 825637795 /nfs/dbraw/zinc/63/77/95/825637795.db2.gz JHRGKCKBZZNNAN-RYUDHWBXSA-N 3 2 266.389 -0.271 20 0 CBADLP COC(=O)[C@@H]1C[C@@H]([NH2+][C@@H]2C[NH2+]CC23CC3)CCN1 ZINC001246134541 825638574 /nfs/dbraw/zinc/63/85/74/825638574.db2.gz REQXNVUFTLEJCJ-GARJFASQSA-N 2 2 253.346 -0.378 20 0 CBADLP COC(=O)[C@@H]1C[C@H](N[C@@]23CCC[C@@H]2[NH2+]CC3)C[NH2+]1 ZINC001246137090 825639316 /nfs/dbraw/zinc/63/93/16/825639316.db2.gz ULZFZXGPYBCTMJ-MRBYEJRBSA-N 2 2 253.346 -0.236 20 0 CBADLP CC(C)(C)OC(=O)[C@@H]1C[C@@H]([NH2+][C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)CN1 ZINC001246139389 825640443 /nfs/dbraw/zinc/64/04/43/825640443.db2.gz SSGOSTXNVCRGJD-UJPOAAIJSA-N 2 2 297.399 -0.365 20 0 CBADLP CC(C)(C)OC(=O)[C@@H]1C[C@@H](N[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)C[NH2+]1 ZINC001246139389 825640445 /nfs/dbraw/zinc/64/04/45/825640445.db2.gz SSGOSTXNVCRGJD-UJPOAAIJSA-N 2 2 297.399 -0.365 20 0 CBADLP CC[C@@]1(C(=O)OC)C[C@H](N[C@@H]2[C@H]3C[NH2+]C[C@@H]2COC3)C[NH2+]1 ZINC001246149911 825642236 /nfs/dbraw/zinc/64/22/36/825642236.db2.gz QYQVYLUWLWJZAV-ARUSPNSKSA-N 2 2 297.399 -0.506 20 0 CBADLP CC[C@]1(C(=O)OC)C[C@H](N[C@@H]2[C@H]3C[NH2+]C[C@@H]2COC3)C[NH2+]1 ZINC001246149916 825642474 /nfs/dbraw/zinc/64/24/74/825642474.db2.gz QYQVYLUWLWJZAV-GGAZOKNXSA-N 2 2 297.399 -0.506 20 0 CBADLP COC(=O)[C@@H]1C[C@H](NC[C@@]2(F)CCC[NH2+]C2)C[NH2+]1 ZINC001246178229 825645428 /nfs/dbraw/zinc/64/54/28/825645428.db2.gz NSVBPXSUKKHUET-JBLDHEPKSA-N 2 2 259.325 -0.429 20 0 CBADLP COC(=O)[C@@H]([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)C1CC1 ZINC001246177298 825645589 /nfs/dbraw/zinc/64/55/89/825645589.db2.gz IRWLCOMVMQJILD-QWRGUYRKSA-N 2 2 253.346 -0.378 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CC[C@H]1N[C@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001246199476 825649659 /nfs/dbraw/zinc/64/96/59/825649659.db2.gz KJWWIBZQFCIGNA-KKOKHZNYSA-N 2 2 299.371 -0.979 20 0 CBADLP COC(=O)[C@@H]1C[C@H](NC2(C(F)(F)F)C[NH2+]C2)C[NH2+]1 ZINC001246251862 825656605 /nfs/dbraw/zinc/65/66/05/825656605.db2.gz FNDKEQKBLYDCLN-BQBZGAKWSA-N 2 2 267.251 -0.616 20 0 CBADLP CO[C@H]1C[NH2+]C[C@@H]1N[C@@H]1C[NH2+][C@H](C(=O)OC(C)(C)C)C1 ZINC001246238193 825655534 /nfs/dbraw/zinc/65/55/34/825655534.db2.gz CRQXDMVWLIORCK-BJDJZHNGSA-N 2 2 285.388 -0.365 20 0 CBADLP C[NH+](C)CCC[N@H+](CCC[NH3+])[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246278048 825659800 /nfs/dbraw/zinc/65/98/00/825659800.db2.gz JGDMJUUWSWSIOE-CQSZACIVSA-N 4 2 283.464 -0.317 20 0 CBADLP C[NH+](C)CCC[N@@H+](CCC[NH3+])[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246278048 825659802 /nfs/dbraw/zinc/65/98/02/825659802.db2.gz JGDMJUUWSWSIOE-CQSZACIVSA-N 4 2 283.464 -0.317 20 0 CBADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2C[NH2+]C[C@@H]2CO)CO1 ZINC001246303415 825662483 /nfs/dbraw/zinc/66/24/83/825662483.db2.gz FORFXFIYLKQDCD-KXNHARMFSA-N 2 2 272.345 -0.733 20 0 CBADLP COC(=O)[C@@H]1CC[C@@H](N[C@@]2(C[NH3+])C[NH+]3CCC2CC3)CN1 ZINC001246324779 825664456 /nfs/dbraw/zinc/66/44/56/825664456.db2.gz HHEWZKPGYAOIMO-IPYPFGDCSA-N 2 2 296.415 -0.707 20 0 CBADLP COC(=O)[C@H](N[C@H]1C[NH2+][C@H](C(=O)OC)C1)C1CC[NH2+]CC1 ZINC001246325544 825664498 /nfs/dbraw/zinc/66/44/98/825664498.db2.gz BVHGTADJEDOQBF-GRYCIOLGSA-N 2 2 299.371 -0.979 20 0 CBADLP COC(=O)[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CC[C@@H](C(=O)OC)NC1 ZINC001246319633 825664688 /nfs/dbraw/zinc/66/46/88/825664688.db2.gz FNYOLSVOFPZXCP-WYUUTHIRSA-N 2 2 299.371 -0.979 20 0 CBADLP COC(=O)[C@@H]1C[C@H](Nc2cccnc2C[NH3+])C[NH2+]1 ZINC001246327556 825664722 /nfs/dbraw/zinc/66/47/22/825664722.db2.gz SRNXAMFGZABDIY-WPRPVWTQSA-N 2 2 250.302 -0.144 20 0 CBADLP COC(=O)[C@@H](N[C@H]1C[NH2+][C@H](C(=O)OC)C1)C1CC[NH2+]CC1 ZINC001246325547 825664758 /nfs/dbraw/zinc/66/47/58/825664758.db2.gz BVHGTADJEDOQBF-WOPDTQHZSA-N 2 2 299.371 -0.979 20 0 CBADLP C([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)[C@H]1CSCC[NH2+]1 ZINC001246335254 825665405 /nfs/dbraw/zinc/66/54/05/825665405.db2.gz HFZCEKAVKFAGDE-MNOVXSKESA-N 3 2 256.419 -0.625 20 0 CBADLP COCC[NH+]1CCC([NH2+][C@@H]2CN[C@H](C(=O)OC)C2)CC1 ZINC001246358122 825669459 /nfs/dbraw/zinc/66/94/59/825669459.db2.gz CYBLGSUQKJBGCY-STQMWFEESA-N 2 2 285.388 -0.410 20 0 CBADLP COC(=O)[C@H](CCC[NH3+])[NH2+]C1C[C@@H]2COC[C@H](C1)N2C ZINC001246402469 825670595 /nfs/dbraw/zinc/67/05/95/825670595.db2.gz WPHHHGBULXJBKM-WVMKXHBISA-N 2 2 285.388 -0.282 20 0 CBADLP COC(=O)[C@@H]1C[C@@H]([NH2+][C@@H]2CC23C[NH2+]C3)C[C@@H]1C(=O)OC ZINC001246453575 825674242 /nfs/dbraw/zinc/67/42/42/825674242.db2.gz XTAQIHMMPGULFD-CHWFTXMASA-N 2 2 282.340 -0.321 20 0 CBADLP C[C@H](NC(=O)[C@H](C)[NH2+][C@@H]1CC[NH2+][C@@H](C)C1)C(N)=O ZINC001246486106 825676240 /nfs/dbraw/zinc/67/62/40/825676240.db2.gz ITWOIPPXHDKXSU-AATLWQCWSA-N 2 2 256.350 -0.905 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](N2CC[NH+](CCCC[NH3+])CC2)C[NH2+]1 ZINC001246477702 825676330 /nfs/dbraw/zinc/67/63/30/825676330.db2.gz JJAILZOMGFRMNU-OLZOCXBDSA-N 3 2 284.404 -0.754 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](n2cc(C[NH3+])c(C)nc2=N)C[NH2+]1 ZINC001246478272 825676400 /nfs/dbraw/zinc/67/64/00/825676400.db2.gz NHEPPMRYPVJQLD-ZJUUUORDSA-N 2 2 265.317 -0.794 20 0 CBADLP CC(C)[C@H](NC(=O)[C@H](C)[NH2+]C1CC[NH2+]CC1)C(N)=O ZINC001246480233 825676466 /nfs/dbraw/zinc/67/64/66/825676466.db2.gz DCCHCPWXRUMYTG-ONGXEEELSA-N 2 2 270.377 -0.657 20 0 CBADLP CCOC(=O)c1cn([C@@H]2CC[NH2+]C3(CNC3)C2)nc1C[NH3+] ZINC001246534313 825681325 /nfs/dbraw/zinc/68/13/25/825681325.db2.gz XHGBLZLGFGBOJO-SNVBAGLBSA-N 2 2 293.371 -0.215 20 0 CBADLP CCOC(=O)C[NH+]1CCC(N2C[C@@H](F)[C@@H]([NH3+])C2)CC1 ZINC001246530992 825681738 /nfs/dbraw/zinc/68/17/38/825681738.db2.gz OVIOVSWGUGIFKV-NEPJUHHUSA-N 2 2 273.352 -0.005 20 0 CBADLP C[N@H+](C[C@H]1C[NH2+]CCO1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246556057 825684150 /nfs/dbraw/zinc/68/41/50/825684150.db2.gz HMNUAIAFLQOQCM-NWDGAFQWSA-N 3 2 254.378 -0.999 20 0 CBADLP C[N@@H+](C[C@H]1C[NH2+]CCO1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246556057 825684151 /nfs/dbraw/zinc/68/41/51/825684151.db2.gz HMNUAIAFLQOQCM-NWDGAFQWSA-N 3 2 254.378 -0.999 20 0 CBADLP C[N@H+](C[C@@H]1C[NH2+]CCO1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246556058 825684670 /nfs/dbraw/zinc/68/46/70/825684670.db2.gz HMNUAIAFLQOQCM-RYUDHWBXSA-N 3 2 254.378 -0.999 20 0 CBADLP C[N@@H+](C[C@@H]1C[NH2+]CCO1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246556058 825684675 /nfs/dbraw/zinc/68/46/75/825684675.db2.gz HMNUAIAFLQOQCM-RYUDHWBXSA-N 3 2 254.378 -0.999 20 0 CBADLP [NH3+]C[C@]1(O)CCCC[N@@H+]([C@@H]2CCS(=O)(=O)C2)C1 ZINC001246559028 825685686 /nfs/dbraw/zinc/68/56/86/825685686.db2.gz NADSXQLPGGSIOW-GHMZBOCLSA-N 2 2 262.375 -0.651 20 0 CBADLP [NH3+]C[C@]1(O)CCCC[N@H+]([C@@H]2CCS(=O)(=O)C2)C1 ZINC001246559028 825685689 /nfs/dbraw/zinc/68/56/89/825685689.db2.gz NADSXQLPGGSIOW-GHMZBOCLSA-N 2 2 262.375 -0.651 20 0 CBADLP CCOC(=O)N1CC[C@@H]([N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)C1 ZINC001246558169 825686305 /nfs/dbraw/zinc/68/63/05/825686305.db2.gz JLAMUPGYSWTVER-GMTAPVOTSA-N 2 2 257.334 -0.389 20 0 CBADLP CCOC(=O)N1CC[C@@H]([N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)C1 ZINC001246558169 825686310 /nfs/dbraw/zinc/68/63/10/825686310.db2.gz JLAMUPGYSWTVER-GMTAPVOTSA-N 2 2 257.334 -0.389 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](n2ncc3c2CC[NH2+]C3)C[NH2+]1 ZINC001246597007 825692712 /nfs/dbraw/zinc/69/27/12/825692712.db2.gz LABASOQRYJEGFW-ZJUUUORDSA-N 2 2 250.302 -0.395 20 0 CBADLP Cc1nc(C[N@@H+](C)[C@@H]2CCNC3(C[NH2+]C3)C2)no1 ZINC001246603276 825694390 /nfs/dbraw/zinc/69/43/90/825694390.db2.gz YPGGXWGQFNXPAN-SNVBAGLBSA-N 2 2 251.334 -0.096 20 0 CBADLP Cc1nc(C[N@H+](C)[C@@H]2CCNC3(C[NH2+]C3)C2)no1 ZINC001246603276 825694393 /nfs/dbraw/zinc/69/43/93/825694393.db2.gz YPGGXWGQFNXPAN-SNVBAGLBSA-N 2 2 251.334 -0.096 20 0 CBADLP COC(=O)[C@@H]1C[C@@H]([N@@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)CCN1 ZINC001246618581 825695883 /nfs/dbraw/zinc/69/58/83/825695883.db2.gz MSYJWBRQSMRGGT-XUXIUFHCSA-N 2 2 296.415 -0.694 20 0 CBADLP COC(=O)[C@@H]1C[C@@H]([N@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)CCN1 ZINC001246618581 825695886 /nfs/dbraw/zinc/69/58/86/825695886.db2.gz MSYJWBRQSMRGGT-XUXIUFHCSA-N 2 2 296.415 -0.694 20 0 CBADLP CC(=O)N1CC[C@H]([N@@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)C1 ZINC001246617536 825695912 /nfs/dbraw/zinc/69/59/12/825695912.db2.gz GXFNIGBYAUJWDM-IHRRRGAJSA-N 2 2 266.389 -0.367 20 0 CBADLP CC(=O)N1CC[C@H]([N@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)C1 ZINC001246617536 825695918 /nfs/dbraw/zinc/69/59/18/825695918.db2.gz GXFNIGBYAUJWDM-IHRRRGAJSA-N 2 2 266.389 -0.367 20 0 CBADLP O=C1NCC[C@@]12C[N@@H+](C1CC[NH2+]CC1)CC21C[NH2+]C1 ZINC001246630822 825697880 /nfs/dbraw/zinc/69/78/80/825697880.db2.gz VPNDVESFQCMRFA-CQSZACIVSA-N 3 2 264.373 -0.850 20 0 CBADLP O=C1NCC[C@@]12C[N@H+](C1CC[NH2+]CC1)CC21C[NH2+]C1 ZINC001246630822 825697881 /nfs/dbraw/zinc/69/78/81/825697881.db2.gz VPNDVESFQCMRFA-CQSZACIVSA-N 3 2 264.373 -0.850 20 0 CBADLP C1[NH2+]CC12C[C@H]([N@@H+]1CCC[C@]3(C[NH2+]CCO3)C1)CCN2 ZINC001246645112 825702453 /nfs/dbraw/zinc/70/24/53/825702453.db2.gz BCJBQUJMCVRFJS-HIFRSBDPSA-N 3 2 280.416 -0.465 20 0 CBADLP C1[NH2+]CC12C[C@H]([N@H+]1CCC[C@]3(C[NH2+]CCO3)C1)CCN2 ZINC001246645112 825702460 /nfs/dbraw/zinc/70/24/60/825702460.db2.gz BCJBQUJMCVRFJS-HIFRSBDPSA-N 3 2 280.416 -0.465 20 0 CBADLP C1[NH2+]CC12C[C@@H]([N@@H+]1CC[C@@H]3[NH2+]CC[C@@H]3C1)CCN2 ZINC001246661494 825704033 /nfs/dbraw/zinc/70/40/33/825704033.db2.gz RHEOVAXQFVXSQG-AGIUHOORSA-N 3 2 250.390 -0.236 20 0 CBADLP C1[NH2+]CC12C[C@@H]([N@H+]1CC[C@@H]3[NH2+]CC[C@@H]3C1)CCN2 ZINC001246661494 825704037 /nfs/dbraw/zinc/70/40/37/825704037.db2.gz RHEOVAXQFVXSQG-AGIUHOORSA-N 3 2 250.390 -0.236 20 0 CBADLP CN1CC[N@H+](C)C2(CCN(C3CC[NH2+]CC3)CC2)C1=O ZINC001246720292 825707493 /nfs/dbraw/zinc/70/74/93/825707493.db2.gz NFRAQTBPEKMTAT-UHFFFAOYSA-N 2 2 280.416 -0.023 20 0 CBADLP CN1CC[N@@H+](C)C2(CCN(C3CC[NH2+]CC3)CC2)C1=O ZINC001246720292 825707494 /nfs/dbraw/zinc/70/74/94/825707494.db2.gz NFRAQTBPEKMTAT-UHFFFAOYSA-N 2 2 280.416 -0.023 20 0 CBADLP COCc1nn([C@H]2C[NH2+][C@H](C(=O)OC)C2)c2c1C[NH2+]C2 ZINC001246711496 825707751 /nfs/dbraw/zinc/70/77/51/825707751.db2.gz BVAGGXFGTDZNFI-SCZZXKLOSA-N 2 2 280.328 -0.291 20 0 CBADLP COC(=O)[C@@H]1C[C@H](N2CC[N@@H+]3CCC[C@@H]3C2)C[NH2+]1 ZINC001246774858 825709893 /nfs/dbraw/zinc/70/98/93/825709893.db2.gz GXAXECDSPOXVEA-WOPDTQHZSA-N 2 2 253.346 -0.330 20 0 CBADLP COC(=O)[C@@H]1C[C@H](N2CC[N@H+]3CCC[C@@H]3C2)C[NH2+]1 ZINC001246774858 825709903 /nfs/dbraw/zinc/70/99/03/825709903.db2.gz GXAXECDSPOXVEA-WOPDTQHZSA-N 2 2 253.346 -0.330 20 0 CBADLP CC1(C)C[N@@H+](C2CC[NH2+]CC2)CCN1CC(N)=O ZINC001246822346 825716787 /nfs/dbraw/zinc/71/67/87/825716787.db2.gz YUHZTFCLXQMKIW-UHFFFAOYSA-N 2 2 254.378 -0.380 20 0 CBADLP CC1(C)C[N@H+](C2CC[NH2+]CC2)CCN1CC(N)=O ZINC001246822346 825716792 /nfs/dbraw/zinc/71/67/92/825716792.db2.gz YUHZTFCLXQMKIW-UHFFFAOYSA-N 2 2 254.378 -0.380 20 0 CBADLP CC1(C)CN(C2CC[NH2+]CC2)CC[N@@H+]1CC(N)=O ZINC001246822346 825716795 /nfs/dbraw/zinc/71/67/95/825716795.db2.gz YUHZTFCLXQMKIW-UHFFFAOYSA-N 2 2 254.378 -0.380 20 0 CBADLP CC1(C)CN(C2CC[NH2+]CC2)CC[N@H+]1CC(N)=O ZINC001246822346 825716801 /nfs/dbraw/zinc/71/68/01/825716801.db2.gz YUHZTFCLXQMKIW-UHFFFAOYSA-N 2 2 254.378 -0.380 20 0 CBADLP COC(=O)[C@@H]1C[C@H](n2c(=N)sc3c2CC[NH2+]C3)C[NH2+]1 ZINC001246824918 825717671 /nfs/dbraw/zinc/71/76/71/825717671.db2.gz RELQMRSMUKGQQV-YUMQZZPRSA-N 2 2 282.369 -0.249 20 0 CBADLP COCCC[N@H+]([C@H]1CN[C@H](C(=O)OC)C1)C1CC[NH2+]CC1 ZINC001246837496 825719350 /nfs/dbraw/zinc/71/93/50/825719350.db2.gz UPSVRKJFGSZNNG-KGLIPLIRSA-N 2 2 299.415 -0.020 20 0 CBADLP COCCC[N@@H+]([C@H]1CN[C@H](C(=O)OC)C1)C1CC[NH2+]CC1 ZINC001246837496 825719354 /nfs/dbraw/zinc/71/93/54/825719354.db2.gz UPSVRKJFGSZNNG-KGLIPLIRSA-N 2 2 299.415 -0.020 20 0 CBADLP C[NH+](C)CCN1CC[N@@H+](C2CC[NH2+]CC2)CCC1=O ZINC001246839901 825721236 /nfs/dbraw/zinc/72/12/36/825721236.db2.gz KSCRQERZUWKRLZ-UHFFFAOYSA-N 3 2 268.405 -0.166 20 0 CBADLP C[NH+](C)CCN1CC[N@H+](C2CC[NH2+]CC2)CCC1=O ZINC001246839901 825721242 /nfs/dbraw/zinc/72/12/42/825721242.db2.gz KSCRQERZUWKRLZ-UHFFFAOYSA-N 3 2 268.405 -0.166 20 0 CBADLP COC(=O)[C@@H]([NH3+])[C@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC001246920823 825731721 /nfs/dbraw/zinc/73/17/21/825731721.db2.gz JYWCWGAXHUWITI-JQWIXIFHSA-N 2 2 255.362 -0.049 20 0 CBADLP COC(=O)[C@@H]1C[N@@H+]([C@@H]2CCC3(C[NH2+]C3)C2)C[C@H]1[NH3+] ZINC001246929429 825733306 /nfs/dbraw/zinc/73/33/06/825733306.db2.gz CYDLIQQXFJBKEP-GMTAPVOTSA-N 3 2 253.346 -0.439 20 0 CBADLP COC(=O)[C@@H]1C[N@H+]([C@@H]2CCC3(C[NH2+]C3)C2)C[C@H]1[NH3+] ZINC001246929429 825733311 /nfs/dbraw/zinc/73/33/11/825733311.db2.gz CYDLIQQXFJBKEP-GMTAPVOTSA-N 3 2 253.346 -0.439 20 0 CBADLP COC(=O)[C@@H]1C[N@@H+](C2CCC3(C[NH2+]C3)CC2)C[C@H]1[NH3+] ZINC001246934687 825734003 /nfs/dbraw/zinc/73/40/03/825734003.db2.gz VWGQTKMXWMUYFJ-VXGBXAGGSA-N 3 2 267.373 -0.049 20 0 CBADLP COC(=O)[C@@H]1C[N@H+](C2CCC3(C[NH2+]C3)CC2)C[C@H]1[NH3+] ZINC001246934687 825734005 /nfs/dbraw/zinc/73/40/05/825734005.db2.gz VWGQTKMXWMUYFJ-VXGBXAGGSA-N 3 2 267.373 -0.049 20 0 CBADLP COC(=O)[C@H]1C[N@@H+](C2CCC3(C[NH2+]C3)CC2)C[C@H]1[NH3+] ZINC001246934683 825734291 /nfs/dbraw/zinc/73/42/91/825734291.db2.gz VWGQTKMXWMUYFJ-NWDGAFQWSA-N 3 2 267.373 -0.049 20 0 CBADLP COC(=O)[C@H]1C[N@H+](C2CCC3(C[NH2+]C3)CC2)C[C@H]1[NH3+] ZINC001246934683 825734299 /nfs/dbraw/zinc/73/42/99/825734299.db2.gz VWGQTKMXWMUYFJ-NWDGAFQWSA-N 3 2 267.373 -0.049 20 0 CBADLP CC[N@@H+]1C[C@@H]2C[C@H]1CN2[C@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001246986279 825738790 /nfs/dbraw/zinc/73/87/90/825738790.db2.gz GVRPMQIDYDLNQE-RHYQMDGZSA-N 2 2 253.346 -0.332 20 0 CBADLP CC[N@H+]1C[C@@H]2C[C@H]1CN2[C@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001246986279 825738791 /nfs/dbraw/zinc/73/87/91/825738791.db2.gz GVRPMQIDYDLNQE-RHYQMDGZSA-N 2 2 253.346 -0.332 20 0 CBADLP C1[NH2+]CC12C[C@@H]([N@@H+]1CC[C@@]3(C1)C[NH2+]CCO3)CCN2 ZINC001246990646 825739350 /nfs/dbraw/zinc/73/93/50/825739350.db2.gz XAYUKFGOTBRJQB-JSGCOSHPSA-N 3 2 266.389 -0.855 20 0 CBADLP C1[NH2+]CC12C[C@@H]([N@H+]1CC[C@@]3(C1)C[NH2+]CCO3)CCN2 ZINC001246990646 825739354 /nfs/dbraw/zinc/73/93/54/825739354.db2.gz XAYUKFGOTBRJQB-JSGCOSHPSA-N 3 2 266.389 -0.855 20 0 CBADLP [NH3+][C@H](CO)c1nc(-c2ccc3c(n2)CC[NH2+]C3)no1 ZINC001247492751 825743069 /nfs/dbraw/zinc/74/30/69/825743069.db2.gz IVZWLRWHDISZGN-MRVPVSSYSA-N 2 2 261.285 -0.231 20 0 CBADLP Cc1nonc1C[N@@H+]1CCC(=O)N(CC[NH+](C)C)CC1 ZINC001248859410 825746789 /nfs/dbraw/zinc/74/67/89/825746789.db2.gz USPCVZKPLXIKFH-UHFFFAOYSA-N 2 2 281.360 -0.026 20 0 CBADLP Cc1nonc1C[N@H+]1CCC(=O)N(CC[NH+](C)C)CC1 ZINC001248859410 825746797 /nfs/dbraw/zinc/74/67/97/825746797.db2.gz USPCVZKPLXIKFH-UHFFFAOYSA-N 2 2 281.360 -0.026 20 0 CBADLP O[C@H](C[NH2+]CCCn1cc[nH+]c1)CN1CCOCC1 ZINC001251002788 825756648 /nfs/dbraw/zinc/75/66/48/825756648.db2.gz WSIRPTPDLWYPBT-CYBMUJFWSA-N 2 2 268.361 -0.444 20 0 CBADLP CC[N@H+](CCn1cc[nH+]c1)C[C@H](O)CN1CCOCC1 ZINC001251023658 825765477 /nfs/dbraw/zinc/76/54/77/825765477.db2.gz KJAVGTWOOKDKNZ-AWEZNQCLSA-N 2 2 282.388 -0.102 20 0 CBADLP CC[N@@H+](CCn1cc[nH+]c1)C[C@H](O)CN1CCOCC1 ZINC001251023658 825765488 /nfs/dbraw/zinc/76/54/88/825765488.db2.gz KJAVGTWOOKDKNZ-AWEZNQCLSA-N 2 2 282.388 -0.102 20 0 CBADLP O[C@@H](CN1CC[N@@H+]2CC[C@H]2C1)C[NH+]1CCOCC1 ZINC001251023728 825765783 /nfs/dbraw/zinc/76/57/83/825765783.db2.gz NOLULHMLPOOWLU-QWHCGFSZSA-N 2 2 255.362 -0.931 20 0 CBADLP O[C@@H](CN1CC[N@H+]2CC[C@H]2C1)C[NH+]1CCOCC1 ZINC001251023728 825765787 /nfs/dbraw/zinc/76/57/87/825765787.db2.gz NOLULHMLPOOWLU-QWHCGFSZSA-N 2 2 255.362 -0.931 20 0 CBADLP O[C@H](C[NH2+]CCc1[nH]cc[nH+]1)CN1CCOCC1 ZINC001251035719 825768732 /nfs/dbraw/zinc/76/87/32/825768732.db2.gz LULZFXGQPZUXGJ-LLVKDONJSA-N 2 2 254.334 -0.765 20 0 CBADLP O[C@@H](C[NH2+]CCOc1cc[nH+]cc1)CN1CCOCC1 ZINC001251048914 825772698 /nfs/dbraw/zinc/77/26/98/825772698.db2.gz KDZCJIRQNOQYJN-ZDUSSCGKSA-N 2 2 281.356 -0.257 20 0 CBADLP C[C@H](O)C[N@@H+]1CCCn2c(=O)cc(C[NH+](C)C)nc2C1 ZINC001251958390 825808892 /nfs/dbraw/zinc/80/88/92/825808892.db2.gz DUMFCTZTBOLZPE-NSHDSACASA-N 2 2 280.372 -0.109 20 0 CBADLP C[C@H](O)C[N@H+]1CCCn2c(=O)cc(C[NH+](C)C)nc2C1 ZINC001251958390 825808898 /nfs/dbraw/zinc/80/88/98/825808898.db2.gz DUMFCTZTBOLZPE-NSHDSACASA-N 2 2 280.372 -0.109 20 0 CBADLP C[NH+]1CCN(c2ccc[nH+]c2NC[C@H](O)CO)CC1 ZINC001252055816 825817655 /nfs/dbraw/zinc/81/76/55/825817655.db2.gz WCJJFAPTRMDZBQ-NSHDSACASA-N 2 2 266.345 -0.402 20 0 CBADLP CC(C)(O)C[NH2+]CCC(=O)NCCc1c[nH]c[nH+]1 ZINC001252368943 825835410 /nfs/dbraw/zinc/83/54/10/825835410.db2.gz QXUUFLVPVWQNHI-UHFFFAOYSA-N 2 2 254.334 -0.181 20 0 CBADLP CC(C)(O)C[NH2+]CCC(=O)NCCc1c[nH+]c[nH]1 ZINC001252368943 825835414 /nfs/dbraw/zinc/83/54/14/825835414.db2.gz QXUUFLVPVWQNHI-UHFFFAOYSA-N 2 2 254.334 -0.181 20 0 CBADLP O=C(CC[NH2+]CC1(O)CCOCC1)NCCc1c[nH]c[nH+]1 ZINC001252975954 825898079 /nfs/dbraw/zinc/89/80/79/825898079.db2.gz OZAVAIZSUXYIDK-UHFFFAOYSA-N 2 2 296.371 -0.410 20 0 CBADLP O=C(CC[NH2+]CC1(O)CCOCC1)NCCc1c[nH+]c[nH]1 ZINC001252975954 825898083 /nfs/dbraw/zinc/89/80/83/825898083.db2.gz OZAVAIZSUXYIDK-UHFFFAOYSA-N 2 2 296.371 -0.410 20 0 CBADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC001253180773 825902613 /nfs/dbraw/zinc/90/26/13/825902613.db2.gz JCXSRTAXHHFHFA-RWMBFGLXSA-N 2 2 260.378 -0.636 20 0 CBADLP CC[NH+](CC)C[C@H](O)C[N@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC001253180773 825902620 /nfs/dbraw/zinc/90/26/20/825902620.db2.gz JCXSRTAXHHFHFA-RWMBFGLXSA-N 2 2 260.378 -0.636 20 0 CBADLP CC[NH+](CC)C[C@@H](O)C[N@H+]1CCc2nncn2CC1 ZINC001253183352 825902342 /nfs/dbraw/zinc/90/23/42/825902342.db2.gz YFVZBLMIAPOCHM-GFCCVEGCSA-N 2 2 267.377 -0.161 20 0 CBADLP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CCc2nncn2CC1 ZINC001253183352 825902347 /nfs/dbraw/zinc/90/23/47/825902347.db2.gz YFVZBLMIAPOCHM-GFCCVEGCSA-N 2 2 267.377 -0.161 20 0 CBADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1CC[C@@](C)(CO)[C@H](O)C1 ZINC001253180816 825902980 /nfs/dbraw/zinc/90/29/80/825902980.db2.gz JTZYUCFXSMCDNJ-MJBXVCDLSA-N 2 2 274.405 -0.246 20 0 CBADLP CC[NH+](CC)C[C@H](O)C[N@H+]1CC[C@@](C)(CO)[C@H](O)C1 ZINC001253180816 825902983 /nfs/dbraw/zinc/90/29/83/825902983.db2.gz JTZYUCFXSMCDNJ-MJBXVCDLSA-N 2 2 274.405 -0.246 20 0 CBADLP CC[NH+](CC)C[C@@H](O)C[NH2+][C@H]1CCCCNC1=O ZINC001253202456 825903910 /nfs/dbraw/zinc/90/39/10/825903910.db2.gz IDFOIXFESIGKCM-RYUDHWBXSA-N 2 2 257.378 -0.053 20 0 CBADLP CC[NH+](CC)C[C@H](O)C[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC001253194671 825904411 /nfs/dbraw/zinc/90/44/11/825904411.db2.gz MTMIYBGMEUJFIS-NSHDSACASA-N 2 2 298.387 -0.637 20 0 CBADLP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]CCS(C)(=O)=O ZINC001253385102 825910431 /nfs/dbraw/zinc/91/04/31/825910431.db2.gz SYKKISGUJFVUDK-VIFPVBQESA-N 2 2 252.380 -0.630 20 0 CBADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CC[C@@H](O)[C@@H](CO)C1 ZINC001253389605 825910931 /nfs/dbraw/zinc/91/09/31/825910931.db2.gz FXLZKGDJXGUWCT-IJLUTSLNSA-N 2 2 260.378 -0.590 20 0 CBADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CC[C@@H](O)[C@@H](CO)C1 ZINC001253389605 825910938 /nfs/dbraw/zinc/91/09/38/825910938.db2.gz FXLZKGDJXGUWCT-IJLUTSLNSA-N 2 2 260.378 -0.590 20 0 CBADLP CN(C)S(=O)(=O)CC[NH2+]C[C@H](O)C[NH2+]C(C)(C)C ZINC001253406656 825914008 /nfs/dbraw/zinc/91/40/08/825914008.db2.gz TWNAWECSOBLWCC-JTQLQIEISA-N 2 2 281.422 -0.784 20 0 CBADLP O=C1C[C@@H](C[NH2+][C@H]2CC3CC[NH+](CC3)C2)C(=O)N1 ZINC001254843583 825970023 /nfs/dbraw/zinc/97/00/23/825970023.db2.gz JAYMSWXRKORSGS-QWRGUYRKSA-N 2 2 251.330 -0.277 20 0 CBADLP COC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])N[C@@H]1CC[N@H+](C)C1 ZINC001255416287 825981370 /nfs/dbraw/zinc/98/13/70/825981370.db2.gz YBAIIDHBTCFHLG-ZJUUUORDSA-N 3 2 271.365 -0.915 20 0 CBADLP COC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])N[C@@H]1CC[N@@H+](C)C1 ZINC001255416287 825981381 /nfs/dbraw/zinc/98/13/81/825981381.db2.gz YBAIIDHBTCFHLG-ZJUUUORDSA-N 3 2 271.365 -0.915 20 0 CBADLP CC[NH+](CC)CC[C@H](C)[NH2+][C@@H](C)C(=O)NCC(N)=O ZINC001255953705 825996868 /nfs/dbraw/zinc/99/68/68/825996868.db2.gz NEUOCVMWSKUGMG-QWRGUYRKSA-N 2 2 272.393 -0.314 20 0 CBADLP COC(=O)CNC(=O)[C@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC001256199561 826004466 /nfs/dbraw/zinc/00/44/66/826004466.db2.gz ROHYDQDAWCMFKM-VIFPVBQESA-N 2 2 257.334 -0.652 20 0 CBADLP C[C@@H](CC(=O)N1CCOCC1)[NH2+]C1(CO)CC[NH+](C)CC1 ZINC001256334467 826013416 /nfs/dbraw/zinc/01/34/16/826013416.db2.gz HTVVBCHVWUFNSE-ZDUSSCGKSA-N 2 2 299.415 -0.330 20 0 CBADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(=O)NCC(N)=O ZINC001256620251 826028340 /nfs/dbraw/zinc/02/83/40/826028340.db2.gz SRQZUUKHWWOMRI-OFLUOSHYSA-N 2 2 268.361 -0.809 20 0 CBADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(=O)NCC(N)=O ZINC001256620251 826028342 /nfs/dbraw/zinc/02/83/42/826028342.db2.gz SRQZUUKHWWOMRI-OFLUOSHYSA-N 2 2 268.361 -0.809 20 0 CBADLP C[C@H]1C[C@@H](NC(=O)C(=O)NCCn2cc[nH+]c2)CC[N@@H+]1C ZINC001256874913 826035012 /nfs/dbraw/zinc/03/50/12/826035012.db2.gz XOABJIQITCUTPR-RYUDHWBXSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@H]1C[C@@H](NC(=O)C(=O)NCCn2cc[nH+]c2)CC[N@H+]1C ZINC001256874913 826035016 /nfs/dbraw/zinc/03/50/16/826035016.db2.gz XOABJIQITCUTPR-RYUDHWBXSA-N 2 2 293.371 -0.402 20 0 CBADLP CCC[NH+]1CCC([NH2+]CC(=O)NCC(N)=O)CC1 ZINC001258770187 826069768 /nfs/dbraw/zinc/06/97/68/826069768.db2.gz GDILLBJZHIWCPH-UHFFFAOYSA-N 2 2 256.350 -0.948 20 0 CBADLP C[C@@H]([NH3+])CN1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC001261492830 826524456 /nfs/dbraw/zinc/52/44/56/826524456.db2.gz VZGRXIBLVZDSKU-SNVBAGLBSA-N 2 2 264.377 -0.092 20 0 CBADLP CC(C)(C(N)=O)[NH+]1CCN(C[C@H]2CCC[NH2+]2)CC1 ZINC001262160810 826645786 /nfs/dbraw/zinc/64/57/86/826645786.db2.gz PJNPHIWWPLKVFU-LLVKDONJSA-N 2 2 254.378 -0.380 20 0 CBADLP CN(CCCn1cc[nH+]c1)C(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC001262553401 826708106 /nfs/dbraw/zinc/70/81/06/826708106.db2.gz XHBBFIQDCJYQBQ-HAQNSBGRSA-N 2 2 293.371 -0.415 20 0 CBADLP C[NH2+]CCCNC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001262583883 826712473 /nfs/dbraw/zinc/71/24/73/826712473.db2.gz LCMGTHLTMQOTCQ-UHFFFAOYSA-N 3 2 257.382 -0.682 20 0 CBADLP CC[NH2+]CCCNC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001262584241 826712679 /nfs/dbraw/zinc/71/26/79/826712679.db2.gz WKRLIJMTUVBRFH-UHFFFAOYSA-N 3 2 271.409 -0.292 20 0 CBADLP [NH3+][C@@H](CNC(=O)NCC[NH+]1CCC([NH3+])CC1)C1CC1 ZINC001262584939 826714014 /nfs/dbraw/zinc/71/40/14/826714014.db2.gz OLBWARPZNMFSRS-LBPRGKRZSA-N 3 2 269.393 -0.554 20 0 CBADLP C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001263170059 826748301 /nfs/dbraw/zinc/74/83/01/826748301.db2.gz GGZFTQMQHAKKFH-WDEREUQCSA-N 2 2 266.345 -0.516 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)N[C@H](CO)C[NH+](C)C ZINC001263824533 826782231 /nfs/dbraw/zinc/78/22/31/826782231.db2.gz KIZZPXMKSXAIRP-JTQLQIEISA-N 2 2 254.334 -0.609 20 0 CBADLP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCc1c[nH+]cn1C ZINC001263858092 826786327 /nfs/dbraw/zinc/78/63/27/826786327.db2.gz VXJQUJMKHFSKJW-JQWIXIFHSA-N 2 2 263.345 -0.575 20 0 CBADLP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCc1c[nH+]cn1C ZINC001263858092 826786330 /nfs/dbraw/zinc/78/63/30/826786330.db2.gz VXJQUJMKHFSKJW-JQWIXIFHSA-N 2 2 263.345 -0.575 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@@H+]1CCOCCO ZINC001264178028 826799236 /nfs/dbraw/zinc/79/92/36/826799236.db2.gz OYAGDGCVRFGOJW-OLZOCXBDSA-N 2 2 296.371 -0.529 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@H+]1CCOCCO ZINC001264178028 826799241 /nfs/dbraw/zinc/79/92/41/826799241.db2.gz OYAGDGCVRFGOJW-OLZOCXBDSA-N 2 2 296.371 -0.529 20 0 CBADLP CC(C)c1[nH+]ccn1CC(=O)NCCC[N@H+](C)CC(N)=O ZINC001265041664 826838517 /nfs/dbraw/zinc/83/85/17/826838517.db2.gz GKGZZZKFZAZRBW-UHFFFAOYSA-N 2 2 295.387 -0.070 20 0 CBADLP CC(C)c1[nH+]ccn1CC(=O)NCCC[N@@H+](C)CC(N)=O ZINC001265041664 826838526 /nfs/dbraw/zinc/83/85/26/826838526.db2.gz GKGZZZKFZAZRBW-UHFFFAOYSA-N 2 2 295.387 -0.070 20 0 CBADLP O=C(CCCn1cc[nH+]c1)N[C@H]1C[C@@H]([NH2+]CCO)C1 ZINC001265572973 826904620 /nfs/dbraw/zinc/90/46/20/826904620.db2.gz PTUOXSUAKYTOOD-TXEJJXNPSA-N 2 2 266.345 -0.108 20 0 CBADLP C[N@H+](CCO)CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001265866150 826932413 /nfs/dbraw/zinc/93/24/13/826932413.db2.gz IUIRBASQQDTRHQ-GHMZBOCLSA-N 2 2 266.345 -0.056 20 0 CBADLP C[N@@H+](CCO)CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001265866150 826932419 /nfs/dbraw/zinc/93/24/19/826932419.db2.gz IUIRBASQQDTRHQ-GHMZBOCLSA-N 2 2 266.345 -0.056 20 0 CBADLP C[N@H+](CCO)CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001265866150 826932425 /nfs/dbraw/zinc/93/24/25/826932425.db2.gz IUIRBASQQDTRHQ-GHMZBOCLSA-N 2 2 266.345 -0.056 20 0 CBADLP C[N@@H+](CCO)CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001265866150 826932431 /nfs/dbraw/zinc/93/24/31/826932431.db2.gz IUIRBASQQDTRHQ-GHMZBOCLSA-N 2 2 266.345 -0.056 20 0 CBADLP CC[C@H](C(N)=O)[N@H+](C)CCCNC(=O)Cc1c[nH+]cn1C ZINC001265953984 826942032 /nfs/dbraw/zinc/94/20/32/826942032.db2.gz IQYXBKUIXSXAND-GFCCVEGCSA-N 2 2 295.387 -0.335 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+](C)CCCNC(=O)Cc1c[nH+]cn1C ZINC001265953984 826942041 /nfs/dbraw/zinc/94/20/41/826942041.db2.gz IQYXBKUIXSXAND-GFCCVEGCSA-N 2 2 295.387 -0.335 20 0 CBADLP CC[N@H+](CCCNC(=O)Cc1c[nH]c[nH+]1)[C@H]1CCNC1=O ZINC001266089154 826952144 /nfs/dbraw/zinc/95/21/44/826952144.db2.gz ANAVCWNWLSHZFY-LBPRGKRZSA-N 2 2 293.371 -0.331 20 0 CBADLP CC[N@@H+](CCCNC(=O)Cc1c[nH]c[nH+]1)[C@H]1CCNC1=O ZINC001266089154 826952149 /nfs/dbraw/zinc/95/21/49/826952149.db2.gz ANAVCWNWLSHZFY-LBPRGKRZSA-N 2 2 293.371 -0.331 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NCCC[N@H+](CC(N)=O)C1CC1 ZINC001266169347 826957716 /nfs/dbraw/zinc/95/77/16/826957716.db2.gz YNCNXZAXANZPTB-UHFFFAOYSA-N 2 2 293.371 -0.581 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NCCC[N@@H+](CC(N)=O)C1CC1 ZINC001266169347 826957724 /nfs/dbraw/zinc/95/77/24/826957724.db2.gz YNCNXZAXANZPTB-UHFFFAOYSA-N 2 2 293.371 -0.581 20 0 CBADLP CNC(=O)C[N@H+](CCCNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001266176103 826959187 /nfs/dbraw/zinc/95/91/87/826959187.db2.gz AJFFBBVELUFYQO-UHFFFAOYSA-N 2 2 293.371 -0.400 20 0 CBADLP CNC(=O)C[N@@H+](CCCNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001266176103 826959190 /nfs/dbraw/zinc/95/91/90/826959190.db2.gz AJFFBBVELUFYQO-UHFFFAOYSA-N 2 2 293.371 -0.400 20 0 CBADLP CC(C)[C@@H](C(=O)NCC[N@H+](C)CC(N)=O)[NH+](C)C ZINC001266284890 826972603 /nfs/dbraw/zinc/97/26/03/826972603.db2.gz LMMGXURKUCNRQZ-NSHDSACASA-N 2 2 258.366 -0.894 20 0 CBADLP CC(C)[C@@H](C(=O)NCC[N@@H+](C)CC(N)=O)[NH+](C)C ZINC001266284890 826972609 /nfs/dbraw/zinc/97/26/09/826972609.db2.gz LMMGXURKUCNRQZ-NSHDSACASA-N 2 2 258.366 -0.894 20 0 CBADLP C[N@H+](CCNC(=O)C12CCC[NH+]1CCC2)CC(N)=O ZINC001266292958 826973152 /nfs/dbraw/zinc/97/31/52/826973152.db2.gz BGUVDLMKARRFRJ-UHFFFAOYSA-N 2 2 268.361 -0.852 20 0 CBADLP C[N@@H+](CCNC(=O)C12CCC[NH+]1CCC2)CC(N)=O ZINC001266292958 826973154 /nfs/dbraw/zinc/97/31/54/826973154.db2.gz BGUVDLMKARRFRJ-UHFFFAOYSA-N 2 2 268.361 -0.852 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)N[C@H]1CC[N@H+](CCO)C1 ZINC001266355308 826990071 /nfs/dbraw/zinc/99/00/71/826990071.db2.gz FQIWXOTYCKNJGO-NSHDSACASA-N 2 2 266.345 -0.465 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)N[C@H]1CC[N@@H+](CCO)C1 ZINC001266355308 826990078 /nfs/dbraw/zinc/99/00/78/826990078.db2.gz FQIWXOTYCKNJGO-NSHDSACASA-N 2 2 266.345 -0.465 20 0 CBADLP COC[C@@H](O)C[NH2+]CCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001266846963 827075050 /nfs/dbraw/zinc/07/50/50/827075050.db2.gz OFMLXKMEWXPHKU-NSHDSACASA-N 2 2 270.333 -0.993 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)[NH2+]CCCO ZINC001266950910 827095287 /nfs/dbraw/zinc/09/52/87/827095287.db2.gz XRYXWHKOOICGCZ-RYUDHWBXSA-N 2 2 280.372 -0.078 20 0 CBADLP O=C(CCn1cc[nH+]c1)N1CC[C@H]([NH2+]CCOCCO)C1 ZINC001267015513 827107750 /nfs/dbraw/zinc/10/77/50/827107750.db2.gz CYJOJZDMUPOSGA-ZDUSSCGKSA-N 2 2 296.371 -0.527 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@H]([NH2+]CCCO)C1 ZINC001267024880 827108350 /nfs/dbraw/zinc/10/83/50/827108350.db2.gz XDIFPNSNEPZINV-LBPRGKRZSA-N 2 2 280.372 -0.074 20 0 CBADLP CN(CC[NH2+]CC(=O)NC(C)(C)C)C(=O)Cc1c[nH+]c[nH]1 ZINC001267435067 827171984 /nfs/dbraw/zinc/17/19/84/827171984.db2.gz SEELKENUQSKKHZ-UHFFFAOYSA-N 2 2 295.387 -0.085 20 0 CBADLP CN(CC[NH2+]CC(=O)N1CCC1)C(=O)Cc1[nH]cc[nH+]1 ZINC001267446031 827172791 /nfs/dbraw/zinc/17/27/91/827172791.db2.gz LPVXBRQEADVNAQ-UHFFFAOYSA-N 2 2 279.344 -0.768 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)NC2C[NH+](CCOCCO)C2)CC[N@@H+]1C ZINC001267646544 827189870 /nfs/dbraw/zinc/18/98/70/827189870.db2.gz DZTLRCPQHKVZKZ-UONOGXRCSA-N 2 2 299.415 -0.474 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)NC2C[NH+](CCOCCO)C2)CC[N@H+]1C ZINC001267646544 827189874 /nfs/dbraw/zinc/18/98/74/827189874.db2.gz DZTLRCPQHKVZKZ-UONOGXRCSA-N 2 2 299.415 -0.474 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@](C)(C[NH2+]CCO)C1CC1 ZINC001267863367 827230692 /nfs/dbraw/zinc/23/06/92/827230692.db2.gz HCBVULLQZURYPE-CQSZACIVSA-N 2 2 280.372 -0.171 20 0 CBADLP NC(=O)C[NH2+]CC[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001267900385 827231786 /nfs/dbraw/zinc/23/17/86/827231786.db2.gz GIYZRAPORAZPSH-LBPRGKRZSA-N 2 2 293.371 -0.413 20 0 CBADLP C[C@@H](C[NH2+]CCO)N(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001268072244 827253006 /nfs/dbraw/zinc/25/30/06/827253006.db2.gz SLADVLHMZLZKNG-RYUDHWBXSA-N 2 2 280.372 -0.126 20 0 CBADLP CC(C)[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001268308452 827291066 /nfs/dbraw/zinc/29/10/66/827291066.db2.gz MHOOHJSGGHMORA-HBNTYKKESA-N 2 2 266.345 -0.012 20 0 CBADLP CC(C)[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001268308452 827291071 /nfs/dbraw/zinc/29/10/71/827291071.db2.gz MHOOHJSGGHMORA-HBNTYKKESA-N 2 2 266.345 -0.012 20 0 CBADLP O=C(NC[C@H](O)C[NH2+]CCF)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001268309299 827291674 /nfs/dbraw/zinc/29/16/74/827291674.db2.gz UHDCIYQULSJAGL-OPRDCNLKSA-N 2 2 270.308 -0.451 20 0 CBADLP Cc1cn(C(C)(C)C(=O)NC[C@@H](O)C[NH2+]CCF)c[nH+]1 ZINC001268312361 827292486 /nfs/dbraw/zinc/29/24/86/827292486.db2.gz WFQNLGTWOJRRGM-NSHDSACASA-N 2 2 286.351 -0.037 20 0 CBADLP C[C@@H]([NH2+]CC[C@H](C)NC(=O)Cc1[nH]cc[nH+]1)C(N)=O ZINC001268411478 827324705 /nfs/dbraw/zinc/32/47/05/827324705.db2.gz NZGWQEYECMEIMW-DTWKUNHWSA-N 2 2 267.333 -0.690 20 0 CBADLP C[C@@H](CC[NH2+]CC(=O)NC1CC1)NC(=O)Cn1cc[nH+]c1 ZINC001268432422 827325998 /nfs/dbraw/zinc/32/59/98/827325998.db2.gz RXISSVIYFZJBSL-NSHDSACASA-N 2 2 293.371 -0.354 20 0 CBADLP C[NH+](C)CCCCC(=O)NC1C[NH+](CCCO)C1 ZINC001268475019 827338256 /nfs/dbraw/zinc/33/82/56/827338256.db2.gz VDZNCNXYHDRKLE-UHFFFAOYSA-N 2 2 257.378 -0.099 20 0 CBADLP NC(=O)C[NH2+]C/C=C\CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001268559182 827363944 /nfs/dbraw/zinc/36/39/44/827363944.db2.gz BULGPEVXGHRJCC-BVBSBALXSA-N 2 2 291.355 -0.807 20 0 CBADLP CN(CCC[NH2+]CCO)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001268799283 827423775 /nfs/dbraw/zinc/42/37/75/827423775.db2.gz XCEOBCIRFOEZIJ-GHMZBOCLSA-N 2 2 266.345 -0.056 20 0 CBADLP CN(CCC[NH2+]CCO)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001268799283 827423778 /nfs/dbraw/zinc/42/37/78/827423778.db2.gz XCEOBCIRFOEZIJ-GHMZBOCLSA-N 2 2 266.345 -0.056 20 0 CBADLP O=C(N[C@@H](C[NH2+]CCO)C1CC1)[C@H]1CCc2[nH+]ccn2C1 ZINC001269084688 827461407 /nfs/dbraw/zinc/46/14/07/827461407.db2.gz MWJIGTVZRXFPQF-STQMWFEESA-N 2 2 292.383 -0.078 20 0 CBADLP C[NH+](C)CCCCC(=O)NC[C@H]1CC[N@@H+]1[C@H]1CCNC1=O ZINC001269330823 827494202 /nfs/dbraw/zinc/49/42/02/827494202.db2.gz FITFSJSTYAHORW-OLZOCXBDSA-N 2 2 296.415 -0.203 20 0 CBADLP C[NH+](C)CCCCC(=O)NC[C@H]1CC[N@H+]1[C@H]1CCNC1=O ZINC001269330823 827494205 /nfs/dbraw/zinc/49/42/05/827494205.db2.gz FITFSJSTYAHORW-OLZOCXBDSA-N 2 2 296.415 -0.203 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N[C@](C)(C[NH2+]CCCO)C2CC2)C1 ZINC001269605852 827521703 /nfs/dbraw/zinc/52/17/03/827521703.db2.gz JPZIKVVOFJPBDT-DZGCQCFKSA-N 2 2 299.415 -0.426 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N[C@](C)(C[NH2+]CCCO)C2CC2)C1 ZINC001269605852 827521708 /nfs/dbraw/zinc/52/17/08/827521708.db2.gz JPZIKVVOFJPBDT-DZGCQCFKSA-N 2 2 299.415 -0.426 20 0 CBADLP C[N@@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)Cn1cc[nH+]c1 ZINC001269840607 827534194 /nfs/dbraw/zinc/53/41/94/827534194.db2.gz FILNFMVHHOLDDV-PHIMTYICSA-N 2 2 250.302 -0.576 20 0 CBADLP C[N@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)Cn1cc[nH+]c1 ZINC001269840607 827534197 /nfs/dbraw/zinc/53/41/97/827534197.db2.gz FILNFMVHHOLDDV-PHIMTYICSA-N 2 2 250.302 -0.576 20 0 CBADLP C[NH+]1CC2(C1)CCN(C(=O)[C@@H](CO)n1cc[nH+]c1)CC2 ZINC001270398741 827562725 /nfs/dbraw/zinc/56/27/25/827562725.db2.gz GFZSLMPUTSGZOC-GFCCVEGCSA-N 2 2 278.356 -0.029 20 0 CBADLP C[NH+]1CC2(C1)CCN(C(=O)[C@H](CO)n1cc[nH+]c1)CC2 ZINC001270398742 827563218 /nfs/dbraw/zinc/56/32/18/827563218.db2.gz GFZSLMPUTSGZOC-LBPRGKRZSA-N 2 2 278.356 -0.029 20 0 CBADLP C[NH+]1CCO[C@]2(CCCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC001270978047 827612269 /nfs/dbraw/zinc/61/22/69/827612269.db2.gz UBKLAGHEYLMDNU-UKRRQHHQSA-N 2 2 297.399 -0.360 20 0 CBADLP C[NH+]1CCO[C@]2(CCCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001270978047 827612270 /nfs/dbraw/zinc/61/22/70/827612270.db2.gz UBKLAGHEYLMDNU-UKRRQHHQSA-N 2 2 297.399 -0.360 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)N2CCC[C@]3(C2)C[N@H+](C)CCO3)C1 ZINC001270978047 827612273 /nfs/dbraw/zinc/61/22/73/827612273.db2.gz UBKLAGHEYLMDNU-UKRRQHHQSA-N 2 2 297.399 -0.360 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)N2CCC[C@]3(C2)C[N@@H+](C)CCO3)C1 ZINC001270978047 827612275 /nfs/dbraw/zinc/61/22/75/827612275.db2.gz UBKLAGHEYLMDNU-UKRRQHHQSA-N 2 2 297.399 -0.360 20 0 CBADLP C[C@@H](C[NH2+]CCO)N(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001271020883 827615477 /nfs/dbraw/zinc/61/54/77/827615477.db2.gz GBXDVAZVENACOZ-RYUDHWBXSA-N 2 2 280.372 -0.126 20 0 CBADLP CC[N@H+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC(=O)N(C)C ZINC001271080975 827620026 /nfs/dbraw/zinc/62/00/26/827620026.db2.gz HVAGLMAVOCYTMM-BETUJISGSA-N 2 2 296.415 -0.299 20 0 CBADLP CC[N@@H+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC(=O)N(C)C ZINC001271080975 827620028 /nfs/dbraw/zinc/62/00/28/827620028.db2.gz HVAGLMAVOCYTMM-BETUJISGSA-N 2 2 296.415 -0.299 20 0 CBADLP CC[NH+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC001271080975 827620031 /nfs/dbraw/zinc/62/00/31/827620031.db2.gz HVAGLMAVOCYTMM-BETUJISGSA-N 2 2 296.415 -0.299 20 0 CBADLP CC[NH+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC001271080975 827620035 /nfs/dbraw/zinc/62/00/35/827620035.db2.gz HVAGLMAVOCYTMM-BETUJISGSA-N 2 2 296.415 -0.299 20 0 CBADLP C[NH+](C)C1(C(=O)N2C[C@@H]3C[N@@H+](C)C[C@H](C2)O3)CC1 ZINC001272307728 827778869 /nfs/dbraw/zinc/77/88/69/827778869.db2.gz BJSRVLDVMXAVJC-PHIMTYICSA-N 2 2 253.346 -0.378 20 0 CBADLP C[NH+](C)C1(C(=O)N2C[C@@H]3C[N@H+](C)C[C@H](C2)O3)CC1 ZINC001272307728 827778870 /nfs/dbraw/zinc/77/88/70/827778870.db2.gz BJSRVLDVMXAVJC-PHIMTYICSA-N 2 2 253.346 -0.378 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CCO ZINC001272322252 827779949 /nfs/dbraw/zinc/77/99/49/827779949.db2.gz JHLHUWDHZJIBHI-DGCLKSJQSA-N 2 2 280.372 -0.171 20 0 CBADLP O=C(Cn1cc[nH+]c1)N(CCO)CC[NH2+]CCF ZINC001272321310 827780385 /nfs/dbraw/zinc/78/03/85/827780385.db2.gz CGCLUMNKUPESDO-UHFFFAOYSA-N 2 2 258.297 -0.737 20 0 CBADLP CC(C)C[NH2+]C[C@H](O)CNC(=O)CCn1cc[nH+]c1 ZINC001272488860 827805370 /nfs/dbraw/zinc/80/53/70/827805370.db2.gz VEZYIIZWIIRBSP-LBPRGKRZSA-N 2 2 268.361 -0.004 20 0 CBADLP C[NH+](C)CCN1C(=O)COCC12C[NH+](C[C@H]1CCCO1)C2 ZINC001273071011 827860901 /nfs/dbraw/zinc/86/09/01/827860901.db2.gz DQQOZLFAAMSYFR-CYBMUJFWSA-N 2 2 297.399 -0.360 20 0 CBADLP C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2C(=O)C[NH+]1CCC1 ZINC001273367103 827894193 /nfs/dbraw/zinc/89/41/93/827894193.db2.gz OKTDLAJBOMAQAZ-KBPBESRZSA-N 2 2 280.416 -0.071 20 0 CBADLP C[C@@H](O)C[NH2+]C/C=C/CNC(=O)Cc1c[nH]c[nH+]1 ZINC001274393000 827986653 /nfs/dbraw/zinc/98/66/53/827986653.db2.gz JAYRBWIZFMFNJY-VMZHVLLKSA-N 2 2 252.318 -0.405 20 0 CBADLP C[C@@H](O)C[NH2+]C/C=C\CNC(=O)Cc1c[nH]c[nH+]1 ZINC001274392998 827987218 /nfs/dbraw/zinc/98/72/18/827987218.db2.gz JAYRBWIZFMFNJY-MXQLGCADSA-N 2 2 252.318 -0.405 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]C/C=C/CNC(=O)Cc1c[nH+]cn1C ZINC001274499611 827994711 /nfs/dbraw/zinc/99/47/11/827994711.db2.gz WJWDCGZLKCDXIE-SGUJLRQBSA-N 2 2 293.371 -0.641 20 0 CBADLP C[C@H](C[NH2+]CCO)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001274938307 828042872 /nfs/dbraw/zinc/04/28/72/828042872.db2.gz KZCQZOVYBFWHFY-MNOVXSKESA-N 2 2 254.334 -0.079 20 0 CBADLP CN(C)C(=O)C[NH+]1CC2(CN(CC[NH+](C)C)C2)C1 ZINC001275199168 828065990 /nfs/dbraw/zinc/06/59/90/828065990.db2.gz HJJIRMKRBNTGOM-UHFFFAOYSA-N 2 2 254.378 -0.746 20 0 CBADLP CN(C)C(=O)C[N@H+]1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001275199353 828066853 /nfs/dbraw/zinc/06/68/53/828066853.db2.gz KOCKBRDVOXLMFK-OLZOCXBDSA-N 2 2 284.404 -0.979 20 0 CBADLP CN(C)C(=O)C[N@@H+]1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001275199353 828066860 /nfs/dbraw/zinc/06/68/60/828066860.db2.gz KOCKBRDVOXLMFK-OLZOCXBDSA-N 2 2 284.404 -0.979 20 0 CBADLP CN(C)C(=O)C[N@@H+]1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001275199355 828066919 /nfs/dbraw/zinc/06/69/19/828066919.db2.gz KOCKBRDVOXLMFK-STQMWFEESA-N 2 2 284.404 -0.979 20 0 CBADLP CN(C)C(=O)C[N@H+]1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001275199355 828066924 /nfs/dbraw/zinc/06/69/24/828066924.db2.gz KOCKBRDVOXLMFK-STQMWFEESA-N 2 2 284.404 -0.979 20 0 CBADLP C[C@@H](C[NH2+]CCO)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001275209939 828068162 /nfs/dbraw/zinc/06/81/62/828068162.db2.gz XFICHYYDTHCHDX-WDEREUQCSA-N 2 2 266.345 -0.468 20 0 CBADLP C[NH+](C)CCN1CC2(C1)C[NH+](Cc1cnc(N)nc1)C2 ZINC001276544680 828149202 /nfs/dbraw/zinc/14/92/02/828149202.db2.gz MVAURONNJWSUJV-UHFFFAOYSA-N 2 2 276.388 -0.262 20 0 CBADLP C[C@@H](CCC[NH2+][C@@H]1CCNC1=O)NC(=O)Cn1cc[nH+]c1 ZINC001277373722 828186966 /nfs/dbraw/zinc/18/69/66/828186966.db2.gz XOWGHRHITGWDRL-NWDGAFQWSA-N 2 2 293.371 -0.354 20 0 CBADLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+](CCS(C)(=O)=O)C2 ZINC001277588336 828196703 /nfs/dbraw/zinc/19/67/03/828196703.db2.gz KPVYJDPFXPFDOJ-OLZOCXBDSA-N 2 2 289.445 -0.401 20 0 CBADLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+](CCS(C)(=O)=O)C2 ZINC001277588336 828196707 /nfs/dbraw/zinc/19/67/07/828196707.db2.gz KPVYJDPFXPFDOJ-OLZOCXBDSA-N 2 2 289.445 -0.401 20 0 CBADLP CCC(=O)C[N@@H+]1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001277853089 828214680 /nfs/dbraw/zinc/21/46/80/828214680.db2.gz MOXUWCMADAAJCK-KBPBESRZSA-N 2 2 269.389 -0.088 20 0 CBADLP CCC(=O)C[N@H+]1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001277853089 828214681 /nfs/dbraw/zinc/21/46/81/828214681.db2.gz MOXUWCMADAAJCK-KBPBESRZSA-N 2 2 269.389 -0.088 20 0 CBADLP C[NH+](C)CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(N)=O ZINC001277982620 828226889 /nfs/dbraw/zinc/22/68/89/828226889.db2.gz ZFFZIZONKGLHSH-YOGCLGLASA-N 2 2 254.378 -0.382 20 0 CBADLP C[NH+](C)CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(N)=O ZINC001277982620 828226894 /nfs/dbraw/zinc/22/68/94/828226894.db2.gz ZFFZIZONKGLHSH-YOGCLGLASA-N 2 2 254.378 -0.382 20 0 CBADLP C[C@H](CO)C[N@@H+]1C[C@@H]2OCCN(CCn3cc[nH+]c3)[C@H]2C1 ZINC001277998236 828229667 /nfs/dbraw/zinc/22/96/67/828229667.db2.gz GHZAVZKPPAOLQH-KKUMJFAQSA-N 2 2 294.399 -0.104 20 0 CBADLP C[C@H](CO)C[N@H+]1C[C@@H]2OCCN(CCn3cc[nH+]c3)[C@H]2C1 ZINC001277998236 828229674 /nfs/dbraw/zinc/22/96/74/828229674.db2.gz GHZAVZKPPAOLQH-KKUMJFAQSA-N 2 2 294.399 -0.104 20 0 CBADLP C[NH+](C)CCC[N@@H+]1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001278057387 828239256 /nfs/dbraw/zinc/23/92/56/828239256.db2.gz IWKGSPIOCJPSCT-GJZGRUSLSA-N 3 2 284.448 -0.115 20 0 CBADLP C[NH+](C)CCC[N@H+]1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001278057387 828239264 /nfs/dbraw/zinc/23/92/64/828239264.db2.gz IWKGSPIOCJPSCT-GJZGRUSLSA-N 3 2 284.448 -0.115 20 0 CBADLP O=C(CCn1cc[nH+]c1)NC[C@H](CO)[NH2+]CC1CC1 ZINC001278119827 828250515 /nfs/dbraw/zinc/25/05/15/828250515.db2.gz PLUAOVYCCRNROR-GFCCVEGCSA-N 2 2 266.345 -0.250 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1CC[C@@H](C[NH2+]CCO)C1 ZINC001278594937 828274528 /nfs/dbraw/zinc/27/45/28/828274528.db2.gz QKQPLDPCMPWWHG-MNOVXSKESA-N 2 2 266.345 -0.181 20 0 CBADLP CN(C[C@H](O)C[NH2+]CCF)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001278774604 828286765 /nfs/dbraw/zinc/28/67/65/828286765.db2.gz XRPOGZCIANMOKU-VXGBXAGGSA-N 2 2 298.362 -0.176 20 0 CBADLP [NH3+]Cc1nccnc1N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001348051684 890552938 /nfs/dbraw/zinc/55/29/38/890552938.db2.gz JPACRLKJEQWGKR-LLVKDONJSA-N 2 2 263.345 -0.154 20 0 CBADLP O[C@@H](C[NH+]1CCN(c2[nH]cc[nH+]2)CC1)C1(O)CCC1 ZINC001351411383 891138312 /nfs/dbraw/zinc/13/83/12/891138312.db2.gz LHZLZTOTMSQQFY-NSHDSACASA-N 2 2 266.345 -0.192 20 0 CBADLP CC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001090600257 884645974 /nfs/dbraw/zinc/64/59/74/884645974.db2.gz KJNOEZHGLVEEEE-MNOVXSKESA-N 2 2 252.318 -0.477 20 0 CBADLP CC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001090600257 884645983 /nfs/dbraw/zinc/64/59/83/884645983.db2.gz KJNOEZHGLVEEEE-MNOVXSKESA-N 2 2 252.318 -0.477 20 0 CBADLP [NH3+]C[C@@H]1CCCN(C(=O)c2n[nH]c3c2C[NH2+]CC3)C1 ZINC001326256967 884960320 /nfs/dbraw/zinc/96/03/20/884960320.db2.gz CNNJAVXTEQDXDQ-VIFPVBQESA-N 2 2 263.345 -0.134 20 0 CBADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CCc2nn(C)c(=O)cc2C1 ZINC001326800987 885152942 /nfs/dbraw/zinc/15/29/42/885152942.db2.gz QBZIWPMAYQTXNW-ZDUSSCGKSA-N 2 2 266.345 -0.891 20 0 CBADLP C[NH2+]C[C@](C)(O)C[N@H+]1CCc2nn(C)c(=O)cc2C1 ZINC001326800987 885152949 /nfs/dbraw/zinc/15/29/49/885152949.db2.gz QBZIWPMAYQTXNW-ZDUSSCGKSA-N 2 2 266.345 -0.891 20 0 CBADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)C[NH2+]CC1CC1 ZINC001327059216 885242625 /nfs/dbraw/zinc/24/26/25/885242625.db2.gz GZIAUVXGMKYSML-LLVKDONJSA-N 2 2 269.345 -0.651 20 0 CBADLP COCc1ncc2c(n1)CC[N@@H+](CCOCC[NH3+])C2 ZINC001329375742 886037442 /nfs/dbraw/zinc/03/74/42/886037442.db2.gz OQHFJKYXAWSXDI-UHFFFAOYSA-N 2 2 266.345 -0.044 20 0 CBADLP COCc1ncc2c(n1)CC[N@H+](CCOCC[NH3+])C2 ZINC001329375742 886037456 /nfs/dbraw/zinc/03/74/56/886037456.db2.gz OQHFJKYXAWSXDI-UHFFFAOYSA-N 2 2 266.345 -0.044 20 0 CBADLP O=C(NC1CC1)[C@@H]1CCC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC001330584042 886487962 /nfs/dbraw/zinc/48/79/62/886487962.db2.gz FHQDXVAEFCHIIR-YPMHNXCESA-N 2 2 267.373 -0.035 20 0 CBADLP O=C(NC1CC1)[C@@H]1CCC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC001330584042 886487970 /nfs/dbraw/zinc/48/79/70/886487970.db2.gz FHQDXVAEFCHIIR-YPMHNXCESA-N 2 2 267.373 -0.035 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)CC1([NH3+])CC1 ZINC001330584675 886490033 /nfs/dbraw/zinc/49/00/33/886490033.db2.gz MLQZISDAWYKKFL-VIFPVBQESA-N 2 2 255.318 -0.769 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NCC1(O)CC[NH+](C)CC1 ZINC001331151723 886694209 /nfs/dbraw/zinc/69/42/09/886694209.db2.gz FQWQNEATFZFWKV-UHFFFAOYSA-N 2 2 266.345 -0.465 20 0 CBADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ncnn1C ZINC001331258301 886753506 /nfs/dbraw/zinc/75/35/06/886753506.db2.gz UGXTYTYTMIKNMX-LLVKDONJSA-N 2 2 252.366 -0.459 20 0 CBADLP C[N@H+](C[C@H](O)C[NH2+][C@H]1CCCCNC1=O)C1CC1 ZINC001335350386 888511214 /nfs/dbraw/zinc/51/12/14/888511214.db2.gz DVOBEXWDUQDJLN-NEPJUHHUSA-N 2 2 255.362 -0.300 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CCCCNC1=O)C1CC1 ZINC001335350386 888511225 /nfs/dbraw/zinc/51/12/25/888511225.db2.gz DVOBEXWDUQDJLN-NEPJUHHUSA-N 2 2 255.362 -0.300 20 0 CBADLP CCN(CC[NH3+])C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001335623282 888586692 /nfs/dbraw/zinc/58/66/92/888586692.db2.gz NJKUZPBUWGHEHM-UHFFFAOYSA-N 3 2 257.382 -0.600 20 0 CBADLP NC(=O)NC(=O)CC[NH2+]C[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC001336150348 888707017 /nfs/dbraw/zinc/70/70/17/888707017.db2.gz FADGPBLEIHEQEY-NSHDSACASA-N 2 2 284.360 -0.586 20 0 CBADLP NC(=O)NC(=O)CC[NH2+]C[C@@H]1CC[N@H+]1C1CCOCC1 ZINC001336150348 888707021 /nfs/dbraw/zinc/70/70/21/888707021.db2.gz FADGPBLEIHEQEY-NSHDSACASA-N 2 2 284.360 -0.586 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC001340076565 889380270 /nfs/dbraw/zinc/38/02/70/889380270.db2.gz GNXJKQVGKOWKDQ-NDBYEHHHSA-N 2 2 267.373 -0.321 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC001340076565 889380278 /nfs/dbraw/zinc/38/02/78/889380278.db2.gz GNXJKQVGKOWKDQ-NDBYEHHHSA-N 2 2 267.373 -0.321 20 0 CBADLP C[NH2+]C1CC(C(=O)N[C@H]2CCC[N@H+](CC(N)=O)C2)C1 ZINC001340190879 889404032 /nfs/dbraw/zinc/40/40/32/889404032.db2.gz NWLSXWCJRDXSPW-YVNMAJEFSA-N 2 2 268.361 -0.950 20 0 CBADLP C[NH2+]C1CC(C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)C2)C1 ZINC001340190879 889404043 /nfs/dbraw/zinc/40/40/43/889404043.db2.gz NWLSXWCJRDXSPW-YVNMAJEFSA-N 2 2 268.361 -0.950 20 0 CBADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001341056094 889535365 /nfs/dbraw/zinc/53/53/65/889535365.db2.gz GXWPTRMCFMDGJZ-OLZOCXBDSA-N 3 2 268.405 -0.086 20 0 CBADLP CN(C)C(=O)C[NH+]1CC(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001443586823 912234995 /nfs/dbraw/zinc/23/49/95/912234995.db2.gz CIJJRNZMPUCELH-UHFFFAOYSA-N 2 2 296.415 -0.393 20 0 CBADLP CN(C)C(=O)C[NH+]1CC(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001443586823 912234979 /nfs/dbraw/zinc/23/49/79/912234979.db2.gz CIJJRNZMPUCELH-UHFFFAOYSA-N 2 2 296.415 -0.393 20 0 CBADLP C[C@]1(C(=O)NCC[NH+]2CCC([NH3+])CC2)CCC[NH2+]C1 ZINC001341689543 889648310 /nfs/dbraw/zinc/64/83/10/889648310.db2.gz APSCYWIPVVTONT-AWEZNQCLSA-N 3 2 268.405 -0.085 20 0 CBADLP CC[N@@H+]1CC[C@H]1C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC001443601866 912238328 /nfs/dbraw/zinc/23/83/28/912238328.db2.gz OXSVJIIVPLULAG-STQMWFEESA-N 2 2 268.405 -0.167 20 0 CBADLP CC[N@H+]1CC[C@H]1C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC001443601866 912238343 /nfs/dbraw/zinc/23/83/43/912238343.db2.gz OXSVJIIVPLULAG-STQMWFEESA-N 2 2 268.405 -0.167 20 0 CBADLP C[NH+](C)C1(C(=O)NCC2C[NH+]([C@@H]3CCNC3=O)C2)CCC1 ZINC001443588610 912240239 /nfs/dbraw/zinc/24/02/39/912240239.db2.gz LLIWAOAEBLYXDD-GFCCVEGCSA-N 2 2 294.399 -0.593 20 0 CBADLP COC[C@@H](O)C[NH+]1CC(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001443625220 912247811 /nfs/dbraw/zinc/24/78/11/912247811.db2.gz WHNJVIBVAPWLCY-LBPRGKRZSA-N 2 2 282.344 -0.993 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+](C)C ZINC001443690496 912260925 /nfs/dbraw/zinc/26/09/25/912260925.db2.gz TZSROONEMUGUFS-RWMBFGLXSA-N 2 2 296.415 -0.123 20 0 CBADLP CC[C@H](C(N)=O)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+](C)C ZINC001443690496 912260940 /nfs/dbraw/zinc/26/09/40/912260940.db2.gz TZSROONEMUGUFS-RWMBFGLXSA-N 2 2 296.415 -0.123 20 0 CBADLP CC[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@H](C)C(=O)NC ZINC001444010688 912326229 /nfs/dbraw/zinc/32/62/29/912326229.db2.gz QELMDQZGKKLNIM-NXEZZACHSA-N 2 2 281.360 -0.429 20 0 CBADLP CC[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@@H]1CCNC1=O ZINC001444016369 912328491 /nfs/dbraw/zinc/32/84/91/912328491.db2.gz XIZBQZGFPFLLCX-MWLCHTKSSA-N 2 2 279.344 -0.675 20 0 CBADLP C[C@H](NC(=O)[C@H]1CC[NH2+][C@H]1C)[C@H]1CN(C)CC[N@@H+]1C ZINC001343487596 889917879 /nfs/dbraw/zinc/91/78/79/889917879.db2.gz FHGWEDGSMNDTMS-ZDEQEGDKSA-N 2 2 268.405 -0.265 20 0 CBADLP C[C@H](NC(=O)[C@H]1CC[NH2+][C@H]1C)[C@H]1CN(C)CC[N@H+]1C ZINC001343487596 889917892 /nfs/dbraw/zinc/91/78/92/889917892.db2.gz FHGWEDGSMNDTMS-ZDEQEGDKSA-N 2 2 268.405 -0.265 20 0 CBADLP C[C@@H](NC(=O)[C@@H]1C[C@@H]1C[NH3+])[C@H]1CN(C)CC[N@@H+]1C ZINC001343581781 889935276 /nfs/dbraw/zinc/93/52/76/889935276.db2.gz FMADLHMMOUVWQS-DDHJBXDOSA-N 2 2 254.378 -0.668 20 0 CBADLP C[C@@H](NC(=O)[C@@H]1C[C@@H]1C[NH3+])[C@H]1CN(C)CC[N@H+]1C ZINC001343581781 889935287 /nfs/dbraw/zinc/93/52/87/889935287.db2.gz FMADLHMMOUVWQS-DDHJBXDOSA-N 2 2 254.378 -0.668 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)C[NH2+]CC(N)=O ZINC001444329242 912426362 /nfs/dbraw/zinc/42/63/62/912426362.db2.gz UZRSPERZNRZFIA-WDEREUQCSA-N 2 2 293.371 -0.727 20 0 CBADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+][C@@H]1CCN(C)C1=O ZINC001444415798 912446107 /nfs/dbraw/zinc/44/61/07/912446107.db2.gz ARTGDXIMKINABL-VXGBXAGGSA-N 2 2 293.371 -0.544 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@H+](CCCO)CCO1 ZINC001444480829 912457027 /nfs/dbraw/zinc/45/70/27/912457027.db2.gz RMAPBFXUYOCJCD-CYBMUJFWSA-N 2 2 296.371 -0.609 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@@H+](CCCO)CCO1 ZINC001444480829 912457033 /nfs/dbraw/zinc/45/70/33/912457033.db2.gz RMAPBFXUYOCJCD-CYBMUJFWSA-N 2 2 296.371 -0.609 20 0 CBADLP NC(=O)C[NH2+]C1(CNC(=O)CCn2cc[nH+]c2)CCCC1 ZINC001444522699 912460807 /nfs/dbraw/zinc/46/08/07/912460807.db2.gz UKHZEISPIYXCNT-UHFFFAOYSA-N 2 2 293.371 -0.223 20 0 CBADLP CNC(=O)C[NH2+]C1(CNC(=O)Cc2[nH]cc[nH+]2)CCCC1 ZINC001444523172 912461826 /nfs/dbraw/zinc/46/18/26/912461826.db2.gz VSPGVIXUBGLICY-UHFFFAOYSA-N 2 2 293.371 -0.283 20 0 CBADLP CC[N@H+](C)CCC(=O)N1CCC2(C[NH+](CC(N)=O)C2)CC1 ZINC001444565783 912469356 /nfs/dbraw/zinc/46/93/56/912469356.db2.gz XMZSBISMAXNVEE-UHFFFAOYSA-N 2 2 296.415 -0.262 20 0 CBADLP CC[N@@H+](C)CCC(=O)N1CCC2(C[NH+](CC(N)=O)C2)CC1 ZINC001444565783 912469363 /nfs/dbraw/zinc/46/93/63/912469363.db2.gz XMZSBISMAXNVEE-UHFFFAOYSA-N 2 2 296.415 -0.262 20 0 CBADLP C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)CCc1c[nH+]cn1C)C(N)=O ZINC001444708134 912494623 /nfs/dbraw/zinc/49/46/23/912494623.db2.gz CKGPCQGGAOWDML-WDEREUQCSA-N 2 2 295.387 -0.337 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC001346304556 890261086 /nfs/dbraw/zinc/26/10/86/890261086.db2.gz BNTIMYZQUYNSJT-LLVKDONJSA-N 2 2 250.302 -0.840 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC001346304556 890261098 /nfs/dbraw/zinc/26/10/98/890261098.db2.gz BNTIMYZQUYNSJT-LLVKDONJSA-N 2 2 250.302 -0.840 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)NC[C@](C)(O)C[NH+](C)C ZINC001346708517 890341665 /nfs/dbraw/zinc/34/16/65/890341665.db2.gz OHUOQBBBFXOJTE-ZDUSSCGKSA-N 2 2 268.361 -0.219 20 0 CBADLP CC[C@@H]([NH2+]C[C@@H](C)NC(=O)Cc1c[nH+]cn1C)C(N)=O ZINC001445477636 912672127 /nfs/dbraw/zinc/67/21/27/912672127.db2.gz XRULLVWGAJHGPV-MWLCHTKSSA-N 2 2 281.360 -0.679 20 0 CBADLP C[C@H](C[NH2+]CC(=O)N1CCC1)NC(=O)Cc1c[nH+]cn1C ZINC001445470986 912671905 /nfs/dbraw/zinc/67/19/05/912671905.db2.gz AOVINOXJIVHUHX-LLVKDONJSA-N 2 2 293.371 -0.711 20 0 CBADLP CC(C)NC(=O)C[NH2+]C[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001445652175 912723715 /nfs/dbraw/zinc/72/37/15/912723715.db2.gz YYJIQLQHUPPJLH-NSHDSACASA-N 2 2 295.387 -0.419 20 0 CBADLP CC[C@@H]([NH2+]C[C@H](NC(=O)Cc1c[nH]c[nH+]1)C1CC1)C(N)=O ZINC001445977552 912790649 /nfs/dbraw/zinc/79/06/49/912790649.db2.gz IBAHCSQIYMINKB-NEPJUHHUSA-N 2 2 293.371 -0.300 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]C[C@H](NC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001445985799 912796599 /nfs/dbraw/zinc/79/65/99/912796599.db2.gz IGYAGDGFDIYTQG-ONGXEEELSA-N 2 2 293.371 -0.429 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001446061855 912804135 /nfs/dbraw/zinc/80/41/35/912804135.db2.gz VRAPMZDMMARZTG-STQMWFEESA-N 2 2 296.415 -0.075 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001446061855 912804155 /nfs/dbraw/zinc/80/41/55/912804155.db2.gz VRAPMZDMMARZTG-STQMWFEESA-N 2 2 296.415 -0.075 20 0 CBADLP CC[C@@H](C(N)=O)[NH+]1CC[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001446061855 912804176 /nfs/dbraw/zinc/80/41/76/912804176.db2.gz VRAPMZDMMARZTG-STQMWFEESA-N 2 2 296.415 -0.075 20 0 CBADLP CC[C@@H](C(N)=O)[NH+]1CC[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001446061855 912804192 /nfs/dbraw/zinc/80/41/92/912804192.db2.gz VRAPMZDMMARZTG-STQMWFEESA-N 2 2 296.415 -0.075 20 0 CBADLP Cn1ncnc1C[NH2+]C1(CNC(=O)CCC[NH+](C)C)CC1 ZINC001446229505 912843038 /nfs/dbraw/zinc/84/30/38/912843038.db2.gz UODCOBNOWPBZFM-UHFFFAOYSA-N 2 2 294.403 -0.105 20 0 CBADLP O=C(NC[C@@H]1CC[N@@H+](CCO)C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001028643803 884614524 /nfs/dbraw/zinc/61/45/24/884614524.db2.gz SEFIEGDZRWYCGO-QWHCGFSZSA-N 2 2 292.383 -0.124 20 0 CBADLP O=C(NC[C@@H]1CC[N@H+](CCO)C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001028643803 884614534 /nfs/dbraw/zinc/61/45/34/884614534.db2.gz SEFIEGDZRWYCGO-QWHCGFSZSA-N 2 2 292.383 -0.124 20 0 CBADLP CC(C)[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](O)C1 ZINC001090601014 884645870 /nfs/dbraw/zinc/64/58/70/884645870.db2.gz OHPBZLNXAIRRGN-VXGBXAGGSA-N 2 2 266.345 -0.088 20 0 CBADLP CC(C)[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](O)C1 ZINC001090601014 884645879 /nfs/dbraw/zinc/64/58/79/884645879.db2.gz OHPBZLNXAIRRGN-VXGBXAGGSA-N 2 2 266.345 -0.088 20 0 CBADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2C(=O)OC[C@@H]2C1 ZINC001175112728 884688477 /nfs/dbraw/zinc/68/84/77/884688477.db2.gz UXKXYZMIAPCYNS-SRVKXCTJSA-N 2 2 256.346 -0.208 20 0 CBADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H]2C(=O)OC[C@@H]2C1 ZINC001175112728 884688483 /nfs/dbraw/zinc/68/84/83/884688483.db2.gz UXKXYZMIAPCYNS-SRVKXCTJSA-N 2 2 256.346 -0.208 20 0 CBADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1C[C@@H]2C(=O)OC[C@@H]2C1 ZINC001175112728 884688491 /nfs/dbraw/zinc/68/84/91/884688491.db2.gz UXKXYZMIAPCYNS-SRVKXCTJSA-N 2 2 256.346 -0.208 20 0 CBADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H]2C(=O)OC[C@@H]2C1 ZINC001175112728 884688500 /nfs/dbraw/zinc/68/85/00/884688500.db2.gz UXKXYZMIAPCYNS-SRVKXCTJSA-N 2 2 256.346 -0.208 20 0 CBADLP [NH3+]CC(=O)NCC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001326040601 884883344 /nfs/dbraw/zinc/88/33/44/884883344.db2.gz AIWOUDORSPUYEE-SECBINFHSA-N 2 2 265.317 -0.809 20 0 CBADLP O=C(C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1)N1CC[NH2+]CC1 ZINC001326277998 884968921 /nfs/dbraw/zinc/96/89/21/884968921.db2.gz PZQLQCVAFVORPA-CYBMUJFWSA-N 3 2 252.362 -0.896 20 0 CBADLP O=C(C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)N1CC[NH2+]CC1 ZINC001326277998 884968949 /nfs/dbraw/zinc/96/89/49/884968949.db2.gz PZQLQCVAFVORPA-CYBMUJFWSA-N 3 2 252.362 -0.896 20 0 CBADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)CC(C)(C)[NH3+] ZINC001326282303 884972574 /nfs/dbraw/zinc/97/25/74/884972574.db2.gz OCVIRLRMCOXVRF-SECBINFHSA-N 2 2 257.334 -0.523 20 0 CBADLP C[C@H](CNC(=O)C[C@@H]1CC[NH2+]C1)[NH+]1CCN(C)CC1 ZINC001326371578 885008242 /nfs/dbraw/zinc/00/82/42/885008242.db2.gz MSVVBALHGUDXPM-OLZOCXBDSA-N 2 2 268.405 -0.262 20 0 CBADLP COCCC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001327082613 885250014 /nfs/dbraw/zinc/25/00/14/885250014.db2.gz VLWGFEIEMJPJPO-CYBMUJFWSA-N 2 2 296.371 -0.263 20 0 CBADLP C[C@@]1(C2CC[NH+](C[C@H]3C[NH2+]CCO3)CC2)NC(=O)NC1=O ZINC001327597362 885423635 /nfs/dbraw/zinc/42/36/35/885423635.db2.gz RDGYQGHETSQCQN-RISCZKNCSA-N 2 2 296.371 -0.715 20 0 CBADLP CN(CC(C)(C)[NH3+])C(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC001327835886 885493089 /nfs/dbraw/zinc/49/30/89/885493089.db2.gz YXNGDFKZAZOCCT-JTQLQIEISA-N 2 2 293.371 -0.490 20 0 CBADLP C[C@H](F)CC[NH+]1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001446909097 912978545 /nfs/dbraw/zinc/97/85/45/912978545.db2.gz DMPAZXJXNSGRQQ-NWDGAFQWSA-N 2 2 287.379 -0.151 20 0 CBADLP C[C@H](F)CC[NH+]1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001446909097 912978553 /nfs/dbraw/zinc/97/85/53/912978553.db2.gz DMPAZXJXNSGRQQ-NWDGAFQWSA-N 2 2 287.379 -0.151 20 0 CBADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC001328979986 885869943 /nfs/dbraw/zinc/86/99/43/885869943.db2.gz FUVLYPRCVWSXQW-GARJFASQSA-N 2 2 291.355 -0.819 20 0 CBADLP C[C@@H](C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1)[C@H](C)[NH3+] ZINC001329564475 886125479 /nfs/dbraw/zinc/12/54/79/886125479.db2.gz NJETVDFSZPNTCN-KXUCPTDWSA-N 2 2 256.350 -0.964 20 0 CBADLP C[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1)[C@H](C)[NH3+] ZINC001329564475 886125481 /nfs/dbraw/zinc/12/54/81/886125481.db2.gz NJETVDFSZPNTCN-KXUCPTDWSA-N 2 2 256.350 -0.964 20 0 CBADLP Cc1[nH+]c[nH]c1CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC001329570621 886128257 /nfs/dbraw/zinc/12/82/57/886128257.db2.gz SSANTXSPKVCGFA-VIFPVBQESA-N 2 2 265.317 -0.797 20 0 CBADLP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC001329609045 886140720 /nfs/dbraw/zinc/14/07/20/886140720.db2.gz OOYSGVWKKKRVQK-NSHDSACASA-N 2 2 293.371 -0.148 20 0 CBADLP Cn1nncc1C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC001329735284 886190838 /nfs/dbraw/zinc/19/08/38/886190838.db2.gz LPOKWLABUANYMP-NSHDSACASA-N 2 2 266.349 -0.756 20 0 CBADLP Cn1nncc1C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC001329735284 886190847 /nfs/dbraw/zinc/19/08/47/886190847.db2.gz LPOKWLABUANYMP-NSHDSACASA-N 2 2 266.349 -0.756 20 0 CBADLP O=C(NC1CC1)[C@H]1CCC[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC001330584041 886486646 /nfs/dbraw/zinc/48/66/46/886486646.db2.gz FHQDXVAEFCHIIR-WCQYABFASA-N 2 2 267.373 -0.035 20 0 CBADLP O=C(NC1CC1)[C@H]1CCC[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC001330584041 886486660 /nfs/dbraw/zinc/48/66/60/886486660.db2.gz FHQDXVAEFCHIIR-WCQYABFASA-N 2 2 267.373 -0.035 20 0 CBADLP O=C(NC1CC1)[C@H]1CCC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC001330584039 886487406 /nfs/dbraw/zinc/48/74/06/886487406.db2.gz FHQDXVAEFCHIIR-AAEUAGOBSA-N 2 2 267.373 -0.035 20 0 CBADLP O=C(NC1CC1)[C@H]1CCC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC001330584039 886487415 /nfs/dbraw/zinc/48/74/15/886487415.db2.gz FHQDXVAEFCHIIR-AAEUAGOBSA-N 2 2 267.373 -0.035 20 0 CBADLP C[C@@H]([NH3+])CC(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC001330647181 886515624 /nfs/dbraw/zinc/51/56/24/886515624.db2.gz CKBYZUFXYVOFNP-GFCCVEGCSA-N 2 2 268.405 -0.038 20 0 CBADLP O=C1NCCC12CC[NH+](C[C@@H]1C[NH2+]CCO1)CC2 ZINC001330696666 886535152 /nfs/dbraw/zinc/53/51/52/886535152.db2.gz FGPSVGKTAHTNSX-NSHDSACASA-N 2 2 253.346 -0.423 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC2(CCNC2=O)CC1 ZINC001330733161 886546240 /nfs/dbraw/zinc/54/62/40/886546240.db2.gz OGWUGTYHAUGWSM-GFCCVEGCSA-N 2 2 269.389 -0.099 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC2(CCNC2=O)CC1 ZINC001330733161 886546247 /nfs/dbraw/zinc/54/62/47/886546247.db2.gz OGWUGTYHAUGWSM-GFCCVEGCSA-N 2 2 269.389 -0.099 20 0 CBADLP Cn1c[nH+]cc1Cn1cc(CN2CC[NH2+]CC2)nn1 ZINC001330783345 886565234 /nfs/dbraw/zinc/56/52/34/886565234.db2.gz JFGSPXIEYMAJQB-UHFFFAOYSA-N 2 2 261.333 -0.535 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)NCC[C@H](C)[NH3+])CC1 ZINC001330871314 886608280 /nfs/dbraw/zinc/60/82/80/886608280.db2.gz SDNKZMBBKYFPQZ-JTQLQIEISA-N 2 2 256.350 -0.996 20 0 CBADLP Cn1c[nH+]cc1CC[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001330832678 886587669 /nfs/dbraw/zinc/58/76/69/886587669.db2.gz RXXRGXMTNQJUJA-CQSZACIVSA-N 3 2 263.389 -0.058 20 0 CBADLP CC[NH2+][C@@H](C)C(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001331041276 886653518 /nfs/dbraw/zinc/65/35/18/886653518.db2.gz JEBSYEYXRRWFOZ-UWVGGRQHSA-N 2 2 256.350 -0.950 20 0 CBADLP CC[NH2+][C@@H](C)C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001331041276 886653528 /nfs/dbraw/zinc/65/35/28/886653528.db2.gz JEBSYEYXRRWFOZ-UWVGGRQHSA-N 2 2 256.350 -0.950 20 0 CBADLP Cn1c[nH+]c(CCNC(=O)C(=O)N2CCC[C@@H]2C[NH3+])c1 ZINC001331133944 886688330 /nfs/dbraw/zinc/68/83/30/886688330.db2.gz XSBNUWZOQWGOQC-LLVKDONJSA-N 2 2 279.344 -0.972 20 0 CBADLP CCC[N@H+](C)CC(=O)N[C@@H]1COC2(C[NH+](CCOC)C2)C1 ZINC001447412084 913078540 /nfs/dbraw/zinc/07/85/40/913078540.db2.gz JNWZCNWXXMWJRS-ZDUSSCGKSA-N 2 2 299.415 -0.066 20 0 CBADLP CCC[N@@H+](C)CC(=O)N[C@@H]1COC2(C[NH+](CCOC)C2)C1 ZINC001447412084 913078550 /nfs/dbraw/zinc/07/85/50/913078550.db2.gz JNWZCNWXXMWJRS-ZDUSSCGKSA-N 2 2 299.415 -0.066 20 0 CBADLP C[C@H](CN(C)C(=O)CCc1c[nH+]c[nH]1)[NH2+]CCO ZINC001331468312 886814928 /nfs/dbraw/zinc/81/49/28/886814928.db2.gz ARPMRIWNLJHKIZ-SNVBAGLBSA-N 2 2 254.334 -0.229 20 0 CBADLP C[C@H](CN(C)C(=O)CCc1c[nH]c[nH+]1)[NH2+]CCO ZINC001331468312 886814910 /nfs/dbraw/zinc/81/49/10/886814910.db2.gz ARPMRIWNLJHKIZ-SNVBAGLBSA-N 2 2 254.334 -0.229 20 0 CBADLP Cn1c[nH+]cc1CNC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC001331892906 887035502 /nfs/dbraw/zinc/03/55/02/887035502.db2.gz MVBPWEKXOMQPCT-SNVBAGLBSA-N 2 2 266.349 -0.796 20 0 CBADLP CC1(C)C[N@H+](CCNC(=O)[C@@H]2[NH2+]C[C@@H]3C[C@@H]32)CCO1 ZINC001332237177 887168010 /nfs/dbraw/zinc/16/80/10/887168010.db2.gz ICSKNVRVVWOGBT-SDDRHHMPSA-N 2 2 267.373 -0.179 20 0 CBADLP CC1(C)C[N@@H+](CCNC(=O)[C@@H]2[NH2+]C[C@@H]3C[C@@H]32)CCO1 ZINC001332237177 887168016 /nfs/dbraw/zinc/16/80/16/887168016.db2.gz ICSKNVRVVWOGBT-SDDRHHMPSA-N 2 2 267.373 -0.179 20 0 CBADLP C[N@@H+](CC(N)=O)C[C@@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1C ZINC001447763545 913120675 /nfs/dbraw/zinc/12/06/75/913120675.db2.gz RKNNXSUSQKACTK-QWHCGFSZSA-N 2 2 296.415 -0.121 20 0 CBADLP C[N@H+](CC(N)=O)C[C@@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1C ZINC001447763545 913120681 /nfs/dbraw/zinc/12/06/81/913120681.db2.gz RKNNXSUSQKACTK-QWHCGFSZSA-N 2 2 296.415 -0.121 20 0 CBADLP C[NH+](CC(N)=O)C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1C ZINC001447763545 913120689 /nfs/dbraw/zinc/12/06/89/913120689.db2.gz RKNNXSUSQKACTK-QWHCGFSZSA-N 2 2 296.415 -0.121 20 0 CBADLP C[NH+](CC(N)=O)C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1C ZINC001447763545 913120694 /nfs/dbraw/zinc/12/06/94/913120694.db2.gz RKNNXSUSQKACTK-QWHCGFSZSA-N 2 2 296.415 -0.121 20 0 CBADLP C[C@H](C(=O)N1CC[C@@H]([NH3+])C[C@H]1C)[NH+]1CCN(C)CC1 ZINC001332829662 887440730 /nfs/dbraw/zinc/44/07/30/887440730.db2.gz FQDHNGBEEIXXET-JHJVBQTASA-N 2 2 268.405 -0.040 20 0 CBADLP C[C@H](C(=O)N1CC[C@@H]([NH3+])C[C@@H]1C)[NH+]1CCN(C)CC1 ZINC001332829726 887440861 /nfs/dbraw/zinc/44/08/61/887440861.db2.gz FQDHNGBEEIXXET-YNEHKIRRSA-N 2 2 268.405 -0.040 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](N3C(=O)N[C@H](CO)C3=O)C2)CC1 ZINC001332846901 887449681 /nfs/dbraw/zinc/44/96/81/887449681.db2.gz APMNUKHBMNLEJQ-VXGBXAGGSA-N 2 2 296.371 -0.932 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@@H](N3C(=O)N[C@H](CO)C3=O)C2)CC1 ZINC001332846901 887449687 /nfs/dbraw/zinc/44/96/87/887449687.db2.gz APMNUKHBMNLEJQ-VXGBXAGGSA-N 2 2 296.371 -0.932 20 0 CBADLP CCNC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001447879315 913151907 /nfs/dbraw/zinc/15/19/07/913151907.db2.gz DCAASNJHQCUVIV-NWDGAFQWSA-N 2 2 295.387 -0.108 20 0 CBADLP C[C@@H](NC(=O)CCc1[nH+]ccn1C)[C@@H](C)[NH2+]CC(N)=O ZINC001447882295 913153098 /nfs/dbraw/zinc/15/30/98/913153098.db2.gz KBGOMQYYJCSFQF-NXEZZACHSA-N 2 2 281.360 -0.679 20 0 CBADLP C[NH+](C)CC1(O)CC[NH+](Cc2nccc(N)n2)CC1 ZINC001333188495 887555373 /nfs/dbraw/zinc/55/53/73/887555373.db2.gz IKRDELRMJHQVLL-UHFFFAOYSA-N 2 2 265.361 -0.053 20 0 CBADLP C[NH2+]CCOCCNC(=O)NCc1c[nH+]cn1C ZINC001333481627 887656429 /nfs/dbraw/zinc/65/64/29/887656429.db2.gz CIWNSGVWQNIEKB-UHFFFAOYSA-N 2 2 255.322 -0.545 20 0 CBADLP C[C@@H]([NH2+]CC(N)=O)[C@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001447943928 913175204 /nfs/dbraw/zinc/17/52/04/913175204.db2.gz QGVISBRHJJTYHR-MNOVXSKESA-N 2 2 281.360 -0.369 20 0 CBADLP OC1CC[NH+](Cc2cn([C@@H]3CC[NH2+]C3)nn2)CC1 ZINC001333895281 887802402 /nfs/dbraw/zinc/80/24/02/887802402.db2.gz YWYRFHHOIBFFFZ-LLVKDONJSA-N 2 2 251.334 -0.231 20 0 CBADLP CN(CC(C)(C)C[NH2+]CC(N)=O)C(=O)Cc1c[nH+]cn1C ZINC001447980226 913182615 /nfs/dbraw/zinc/18/26/15/913182615.db2.gz XIIVAMLCPSYDLW-UHFFFAOYSA-N 2 2 295.387 -0.478 20 0 CBADLP Cn1c[nH+]cc1[C@@H](CO)NC(=O)C12CC[NH+](CC1)C2 ZINC001334246205 887903111 /nfs/dbraw/zinc/90/31/11/887903111.db2.gz JLTKXFXOXWJUSC-SNVBAGLBSA-N 2 2 264.329 -0.335 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC[C@@H](C)[N@H+](C)[C@H]1CCNC1=O ZINC001448145597 913233976 /nfs/dbraw/zinc/23/39/76/913233976.db2.gz GROATDMJJATYPU-PWSUYJOCSA-N 2 2 293.371 -0.483 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC[C@@H](C)[N@@H+](C)[C@H]1CCNC1=O ZINC001448145597 913233994 /nfs/dbraw/zinc/23/39/94/913233994.db2.gz GROATDMJJATYPU-PWSUYJOCSA-N 2 2 293.371 -0.483 20 0 CBADLP CCC[NH2+]CCNS(=O)(=O)CCC[NH+]1CCOCC1 ZINC001334885783 888352239 /nfs/dbraw/zinc/35/22/39/888352239.db2.gz AXCNRLVSNRBZKI-UHFFFAOYSA-N 2 2 293.433 -0.372 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC[C@H](C)[N@H+](C)[C@H]1CCNC1=O ZINC001448145051 913237805 /nfs/dbraw/zinc/23/78/05/913237805.db2.gz GROATDMJJATYPU-JQWIXIFHSA-N 2 2 293.371 -0.483 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC[C@H](C)[N@@H+](C)[C@H]1CCNC1=O ZINC001448145051 913237824 /nfs/dbraw/zinc/23/78/24/913237824.db2.gz GROATDMJJATYPU-JQWIXIFHSA-N 2 2 293.371 -0.483 20 0 CBADLP C[NH+](C)C[C@@](C)(O)C[NH2+]C[C@H](O)C1(O)CCCC1 ZINC001335461255 888538208 /nfs/dbraw/zinc/53/82/08/888538208.db2.gz VEHKETAOFRCAAI-RYUDHWBXSA-N 2 2 260.378 -0.445 20 0 CBADLP [NH3+]C[C@H](NC(=O)NCC[NH+]1CCC([NH3+])CC1)C1CC1 ZINC001335586929 888574092 /nfs/dbraw/zinc/57/40/92/888574092.db2.gz FNGWPJMXZKXCTO-LBPRGKRZSA-N 3 2 269.393 -0.554 20 0 CBADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)NC(=O)CC[NH+](C)C ZINC001448232267 913257570 /nfs/dbraw/zinc/25/75/70/913257570.db2.gz GWEKZTAVEZCWBP-SNVBAGLBSA-N 2 2 281.360 -0.475 20 0 CBADLP C[C@@H](CO)N(C)C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001335644719 888591433 /nfs/dbraw/zinc/59/14/33/888591433.db2.gz CXFZYERPBHNEIX-JTQLQIEISA-N 2 2 258.366 -0.568 20 0 CBADLP NC(=O)C[NH2+]CC1(NC(=O)Cc2[nH]cc[nH+]2)CCCCC1 ZINC001448228986 913260416 /nfs/dbraw/zinc/26/04/16/913260416.db2.gz MWYJOBOLMLTJQO-UHFFFAOYSA-N 2 2 293.371 -0.154 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)[C@@H]2[NH2+]C[C@@H]3C[C@@H]32)[C@@H](C)CO1 ZINC001335850274 888645399 /nfs/dbraw/zinc/64/53/99/888645399.db2.gz GWXQJYFCWVEFHD-PJSNJIKXSA-N 2 2 267.373 -0.180 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)[C@@H]2[NH2+]C[C@@H]3C[C@@H]32)[C@@H](C)CO1 ZINC001335850274 888645403 /nfs/dbraw/zinc/64/54/03/888645403.db2.gz GWXQJYFCWVEFHD-PJSNJIKXSA-N 2 2 267.373 -0.180 20 0 CBADLP C[NH+](C)CC(=O)N1CCN(c2cc[nH+]c(N)n2)CC1 ZINC001336472494 888772857 /nfs/dbraw/zinc/77/28/57/888772857.db2.gz SQCYQQUFZAODCU-UHFFFAOYSA-N 2 2 264.333 -0.731 20 0 CBADLP COC[C@H]1C[NH2+]CCN1C(=O)NCCCn1cc[nH+]c1 ZINC001336711299 888853159 /nfs/dbraw/zinc/85/31/59/888853159.db2.gz VMOFLRQFTWKEAX-GFCCVEGCSA-N 2 2 281.360 -0.097 20 0 CBADLP NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CC[NH2+]CC2CC2)C1 ZINC001336723546 888855820 /nfs/dbraw/zinc/85/58/20/888855820.db2.gz XFZIJPLELIXFCD-GFCCVEGCSA-N 2 2 282.388 -0.558 20 0 CBADLP NC(=O)C[N@H+]1CCC[C@@H](NC(=O)CC[NH2+]CC2CC2)C1 ZINC001336723546 888855828 /nfs/dbraw/zinc/85/58/28/888855828.db2.gz XFZIJPLELIXFCD-GFCCVEGCSA-N 2 2 282.388 -0.558 20 0 CBADLP CN(C)[C@@H](C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)C1CC1 ZINC001336738937 888862350 /nfs/dbraw/zinc/86/23/50/888862350.db2.gz IXEKGUZXAVEUOD-CABCVRRESA-N 2 2 284.448 -0.476 20 0 CBADLP COCCOC[C@@H](O)C[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC001336779918 888879596 /nfs/dbraw/zinc/87/95/96/888879596.db2.gz LANOPKOCLPEWIE-STQMWFEESA-N 2 2 260.378 -0.058 20 0 CBADLP COCCOC[C@@H](O)C[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC001336779918 888879609 /nfs/dbraw/zinc/87/96/09/888879609.db2.gz LANOPKOCLPEWIE-STQMWFEESA-N 2 2 260.378 -0.058 20 0 CBADLP CSC[C@H](O)C[NH2+][C@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC001336781719 888880394 /nfs/dbraw/zinc/88/03/94/888880394.db2.gz VFKXAMAHZGMNIJ-UTUOFQBUSA-N 2 2 261.435 -0.066 20 0 CBADLP CSC[C@H](O)C[NH2+][C@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC001336781719 888880408 /nfs/dbraw/zinc/88/04/08/888880408.db2.gz VFKXAMAHZGMNIJ-UTUOFQBUSA-N 2 2 261.435 -0.066 20 0 CBADLP COCC[C@H]([NH3+])Cc1cn(Cc2[nH]cc[nH+]2)nn1 ZINC001336879254 888908088 /nfs/dbraw/zinc/90/80/88/888908088.db2.gz MOLMAKSWISHKKK-VIFPVBQESA-N 2 2 250.306 -0.044 20 0 CBADLP COCC[C@@H]([NH3+])Cc1cn(Cc2[nH]cc[nH+]2)nn1 ZINC001336879253 888908142 /nfs/dbraw/zinc/90/81/42/888908142.db2.gz MOLMAKSWISHKKK-SECBINFHSA-N 2 2 250.306 -0.044 20 0 CBADLP [NH3+]CCOCc1cn(CC[NH+]2CCOCC2)nn1 ZINC001336891312 888910033 /nfs/dbraw/zinc/91/00/33/888910033.db2.gz YJQAJEHDULUUJS-UHFFFAOYSA-N 2 2 255.322 -0.914 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)NCCOCCF)CC1 ZINC001336932521 888925587 /nfs/dbraw/zinc/92/55/87/888925587.db2.gz JFQSRJINJPUZAF-UHFFFAOYSA-N 2 2 276.356 -0.305 20 0 CBADLP COC(=O)[C@H]1C[N@H+](CC(C)(C)[NH3+])C[C@H]1C(=O)OC ZINC001337838534 889086169 /nfs/dbraw/zinc/08/61/69/889086169.db2.gz ORUAPGQDTPPHDA-DTORHVGOSA-N 2 2 258.318 -0.382 20 0 CBADLP COC(=O)[C@H]1C[N@@H+](CC(C)(C)[NH3+])C[C@H]1C(=O)OC ZINC001337838534 889086181 /nfs/dbraw/zinc/08/61/81/889086181.db2.gz ORUAPGQDTPPHDA-DTORHVGOSA-N 2 2 258.318 -0.382 20 0 CBADLP C[C@@H](O)C[N@@H+]1CCN(c2cc(N)[nH+]cn2)[C@H](C)C1 ZINC001337939539 889100870 /nfs/dbraw/zinc/10/08/70/889100870.db2.gz PEHBWECUOYDJIK-NXEZZACHSA-N 2 2 251.334 -0.050 20 0 CBADLP C[C@@H](O)C[N@H+]1CCN(c2cc(N)[nH+]cn2)[C@H](C)C1 ZINC001337939539 889100871 /nfs/dbraw/zinc/10/08/71/889100871.db2.gz PEHBWECUOYDJIK-NXEZZACHSA-N 2 2 251.334 -0.050 20 0 CBADLP C[C@H](O)C[N@@H+]1CCN(c2cc(N)[nH+]cn2)[C@H](C)C1 ZINC001337939542 889100963 /nfs/dbraw/zinc/10/09/63/889100963.db2.gz PEHBWECUOYDJIK-ZJUUUORDSA-N 2 2 251.334 -0.050 20 0 CBADLP C[C@H](O)C[N@H+]1CCN(c2cc(N)[nH+]cn2)[C@H](C)C1 ZINC001337939542 889100968 /nfs/dbraw/zinc/10/09/68/889100968.db2.gz PEHBWECUOYDJIK-ZJUUUORDSA-N 2 2 251.334 -0.050 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNc1ncnc(N)n1 ZINC001338046158 889110228 /nfs/dbraw/zinc/11/02/28/889110228.db2.gz BTBJEIXQPPPGJO-UHFFFAOYSA-N 2 2 253.354 -0.251 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNc1ncnc(N)n1 ZINC001338046158 889110232 /nfs/dbraw/zinc/11/02/32/889110232.db2.gz BTBJEIXQPPPGJO-UHFFFAOYSA-N 2 2 253.354 -0.251 20 0 CBADLP C[NH+](C)C[C@@H]1NC(=O)N([C@H]2CCn3cc[nH+]c3C2)C1=O ZINC001339977721 889356743 /nfs/dbraw/zinc/35/67/43/889356743.db2.gz CEDAUKKEFNKAFX-UWVGGRQHSA-N 2 2 277.328 -0.320 20 0 CBADLP C[NH+](C)C[C@H]1NC(=O)N([C@@H]2CCn3cc[nH+]c3C2)C1=O ZINC001339977720 889356981 /nfs/dbraw/zinc/35/69/81/889356981.db2.gz CEDAUKKEFNKAFX-NXEZZACHSA-N 2 2 277.328 -0.320 20 0 CBADLP C[C@H](CN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1)[NH2+]CC(N)=O ZINC001448699988 913352895 /nfs/dbraw/zinc/35/28/95/913352895.db2.gz OOUVNRYBPSSXKH-MNOVXSKESA-N 2 2 293.371 -0.633 20 0 CBADLP C[C@@]1(C(=O)NCC[NH+]2CCC([NH3+])CC2)CC[NH2+]C1 ZINC001340941965 889520284 /nfs/dbraw/zinc/52/02/84/889520284.db2.gz GXGXSTHVJRETMS-CYBMUJFWSA-N 3 2 254.378 -0.475 20 0 CBADLP CN(C(=O)CON)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001341381566 889586095 /nfs/dbraw/zinc/58/60/95/889586095.db2.gz BLLNMJCENUPINU-GFCCVEGCSA-N 2 2 270.377 -0.496 20 0 CBADLP CN(C(=O)CON)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001341381566 889586098 /nfs/dbraw/zinc/58/60/98/889586098.db2.gz BLLNMJCENUPINU-GFCCVEGCSA-N 2 2 270.377 -0.496 20 0 CBADLP Cc1cccn2cc(CC(=O)NC[C@H](O)C[NH3+])[nH+]c12 ZINC001341382043 889587667 /nfs/dbraw/zinc/58/76/67/889587667.db2.gz DMHMTWPSZCUTCK-LLVKDONJSA-N 2 2 262.313 -0.379 20 0 CBADLP CN1CC[NH2+]C[C@@H]1C(=O)NCCCNc1cccc[nH+]1 ZINC001341555800 889622443 /nfs/dbraw/zinc/62/24/43/889622443.db2.gz NUCPNSSNNURHJU-GFCCVEGCSA-N 2 2 277.372 -0.097 20 0 CBADLP C[N@H+](CC(F)F)C1CCN(C(=O)[C@H]([NH3+])CO)CC1 ZINC001341717136 889651313 /nfs/dbraw/zinc/65/13/13/889651313.db2.gz OGGDKVLLXQOTIL-SECBINFHSA-N 2 2 265.304 -0.506 20 0 CBADLP C[N@@H+](CC(F)F)C1CCN(C(=O)[C@H]([NH3+])CO)CC1 ZINC001341717136 889651322 /nfs/dbraw/zinc/65/13/22/889651322.db2.gz OGGDKVLLXQOTIL-SECBINFHSA-N 2 2 265.304 -0.506 20 0 CBADLP C[C@H]1[NH2+]CC[C@H]1C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001342462150 889780751 /nfs/dbraw/zinc/78/07/51/889780751.db2.gz PUOBNECXCBLEDZ-ZYHUDNBSSA-N 3 2 254.378 -0.476 20 0 CBADLP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)/C=C/C[NH+]1CCOCC1 ZINC001342510265 889787399 /nfs/dbraw/zinc/78/73/99/889787399.db2.gz QJRGKKQYUHATKQ-XDYXTIEYSA-N 2 2 267.373 -0.154 20 0 CBADLP C[C@@H]1CC[NH2+][C@H](C(=O)NCC[NH+]2CCC([NH3+])CC2)C1 ZINC001342548209 889791862 /nfs/dbraw/zinc/79/18/62/889791862.db2.gz AJCDQDOVNIZUAZ-YPMHNXCESA-N 3 2 268.405 -0.086 20 0 CBADLP C[C@@]1(C(=O)NCC[NH+]2CCC([NH3+])CC2)CCC[NH2+]1 ZINC001342548819 889792011 /nfs/dbraw/zinc/79/20/11/889792011.db2.gz KAUQUTMYGCFTNN-ZDUSSCGKSA-N 3 2 254.378 -0.332 20 0 CBADLP Cc1ccc(NCCNC(=O)C2(O)C[NH2+]C2)[nH+]c1 ZINC001342721678 889821106 /nfs/dbraw/zinc/82/11/06/889821106.db2.gz LJFJSQNTHGCVLK-UHFFFAOYSA-N 2 2 250.302 -0.748 20 0 CBADLP CC(C)OC[C@H]([NH3+])C(=O)Nc1cc2n(n1)CC[NH2+]C2 ZINC001343026102 889859770 /nfs/dbraw/zinc/85/97/70/889859770.db2.gz QATRXCCOIJDVSE-JTQLQIEISA-N 2 2 267.333 -0.323 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001343421835 889905523 /nfs/dbraw/zinc/90/55/23/889905523.db2.gz RVWUKFGEFRCIAI-WUHRBBMRSA-N 2 2 267.373 -0.036 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001343421835 889905537 /nfs/dbraw/zinc/90/55/37/889905537.db2.gz RVWUKFGEFRCIAI-WUHRBBMRSA-N 2 2 267.373 -0.036 20 0 CBADLP C[C@H](NC(=O)[C@H]1CC[NH2+][C@H]1C)[C@@H]1CN(C)CC[N@@H+]1C ZINC001343487589 889919807 /nfs/dbraw/zinc/91/98/07/889919807.db2.gz FHGWEDGSMNDTMS-CYDGBPFRSA-N 2 2 268.405 -0.265 20 0 CBADLP C[C@H](NC(=O)[C@H]1CC[NH2+][C@H]1C)[C@@H]1CN(C)CC[N@H+]1C ZINC001343487589 889919825 /nfs/dbraw/zinc/91/98/25/889919825.db2.gz FHGWEDGSMNDTMS-CYDGBPFRSA-N 2 2 268.405 -0.265 20 0 CBADLP [NH3+]C[C@@H]1CN(C(=O)C[C@@H]([NH3+])C(F)F)CCCO1 ZINC001343670612 889944699 /nfs/dbraw/zinc/94/46/99/889944699.db2.gz BUDBVRJYFDGUSC-HTQZYQBOSA-N 2 2 251.277 -0.455 20 0 CBADLP O=C(NC[C@H]1COCC[NH2+]1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001344358421 890016653 /nfs/dbraw/zinc/01/66/53/890016653.db2.gz XOBXSFRANJMQBW-MNOVXSKESA-N 2 2 264.329 -0.450 20 0 CBADLP C[NH2+]CC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001345762432 890159938 /nfs/dbraw/zinc/15/99/38/890159938.db2.gz JQKYLQMDNNJMNM-UHFFFAOYSA-N 3 2 268.405 -0.119 20 0 CBADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC001346017148 890195973 /nfs/dbraw/zinc/19/59/73/890195973.db2.gz KNACRTUOLQAXHO-LBPRGKRZSA-N 3 2 256.394 -0.277 20 0 CBADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC001346017148 890195980 /nfs/dbraw/zinc/19/59/80/890195980.db2.gz KNACRTUOLQAXHO-LBPRGKRZSA-N 3 2 256.394 -0.277 20 0 CBADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)CC1CC([NH3+])C1 ZINC001346058075 890208792 /nfs/dbraw/zinc/20/87/92/890208792.db2.gz VKNAMHMUKUBKNZ-VQXHTEKXSA-N 2 2 269.345 -0.523 20 0 CBADLP CCS(=O)(=O)CC[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC001346202912 890238092 /nfs/dbraw/zinc/23/80/92/890238092.db2.gz CLSXKKRETZMANE-GFCCVEGCSA-N 2 2 277.434 -0.353 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)NC[C@@H](CO)[NH2+]CCF ZINC001448873730 913433649 /nfs/dbraw/zinc/43/36/49/913433649.db2.gz BREDNEWEPREXLH-JTQLQIEISA-N 2 2 272.324 -0.611 20 0 CBADLP C[C@@H]1CN(C(=O)NCCc2cn(C)c[nH+]2)C[C@H]1[NH3+] ZINC001346454012 890294714 /nfs/dbraw/zinc/29/47/14/890294714.db2.gz XACDIQOMVVVBSA-MWLCHTKSSA-N 2 2 251.334 -0.049 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)CC[NH2+]C1CC1 ZINC001346493237 890307038 /nfs/dbraw/zinc/30/70/38/890307038.db2.gz PBSKETFZJRAXNW-NSHDSACASA-N 2 2 269.345 -0.508 20 0 CBADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)CC[NH2+]C1CC1 ZINC001346492991 890307136 /nfs/dbraw/zinc/30/71/36/890307136.db2.gz PBSKETFZJRAXNW-LLVKDONJSA-N 2 2 269.345 -0.508 20 0 CBADLP COc1cc[nH+]cc1CC(=O)NC[C@H](CO)[NH2+]C[C@H](C)O ZINC001448889448 913445081 /nfs/dbraw/zinc/44/50/81/913445081.db2.gz WENWSPILVVGSTD-CMPLNLGQSA-N 2 2 297.355 -0.920 20 0 CBADLP O=C(Cn1cc[nH+]c1)NCCC[NH+]1CCC(O)CC1 ZINC001347479432 890469852 /nfs/dbraw/zinc/46/98/52/890469852.db2.gz SVUCYMRMXCZLMH-UHFFFAOYSA-N 2 2 266.345 -0.154 20 0 CBADLP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc2ccon2)C1 ZINC001448959481 913472533 /nfs/dbraw/zinc/47/25/33/913472533.db2.gz VNNNTYLZXHRYHH-PWSUYJOCSA-N 2 2 282.344 -0.807 20 0 CBADLP C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc2ccon2)C1 ZINC001448959481 913472543 /nfs/dbraw/zinc/47/25/43/913472543.db2.gz VNNNTYLZXHRYHH-PWSUYJOCSA-N 2 2 282.344 -0.807 20 0 CBADLP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCCn1cc[nH+]c1 ZINC001348515887 890640828 /nfs/dbraw/zinc/64/08/28/890640828.db2.gz AKOPXDRRAQQHEU-VXGBXAGGSA-N 2 2 263.345 -0.612 20 0 CBADLP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCCn1cc[nH+]c1 ZINC001348515887 890640831 /nfs/dbraw/zinc/64/08/31/890640831.db2.gz AKOPXDRRAQQHEU-VXGBXAGGSA-N 2 2 263.345 -0.612 20 0 CBADLP CC[C@@H](C(=O)NCCNC(=O)Cn1cc[nH+]c1)[NH+](C)C ZINC001349261445 890783478 /nfs/dbraw/zinc/78/34/78/890783478.db2.gz BIPYNTNJQVMXJB-NSHDSACASA-N 2 2 281.360 -0.544 20 0 CBADLP CC(C)[NH+]1CC(NC(=O)[C@@H]2C[N@@H+]3CCN2C[C@H]3C)C1 ZINC001349456778 890817693 /nfs/dbraw/zinc/81/76/93/890817693.db2.gz VZEOCYFUPHVFRG-YPMHNXCESA-N 2 2 266.389 -0.417 20 0 CBADLP CC(C)[NH+]1CC(NC(=O)[C@@H]2C[N@H+]3CCN2C[C@H]3C)C1 ZINC001349456778 890817702 /nfs/dbraw/zinc/81/77/02/890817702.db2.gz VZEOCYFUPHVFRG-YPMHNXCESA-N 2 2 266.389 -0.417 20 0 CBADLP Cc1[nH+]c[nH]c1CNC(=O)c1cn(CCCC[NH3+])nn1 ZINC001349486147 890823852 /nfs/dbraw/zinc/82/38/52/890823852.db2.gz DUUUILOJYPHOGN-UHFFFAOYSA-N 2 2 277.332 -0.021 20 0 CBADLP CCC1([NH3+])CCN(C(=O)C(=O)NCCn2cc[nH+]c2)CC1 ZINC001349992633 890921649 /nfs/dbraw/zinc/92/16/49/890921649.db2.gz PHLNWOUFGFRTOP-UHFFFAOYSA-N 2 2 293.371 -0.271 20 0 CBADLP Cn1c[nH+]cc1CNC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC001350232734 890951035 /nfs/dbraw/zinc/95/10/35/890951035.db2.gz XEBZTFPULLLFBS-NSHDSACASA-N 2 2 267.333 -0.321 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NCCN1CC[NH+](C)CC1 ZINC001351341510 891132820 /nfs/dbraw/zinc/13/28/20/891132820.db2.gz OFLKHSNSPUFABC-UHFFFAOYSA-N 2 2 265.361 -0.445 20 0 CBADLP CN(CCCNC(=O)CC[NH+](C)C)C(=O)Cc1[nH]cc[nH+]1 ZINC001351877603 891203337 /nfs/dbraw/zinc/20/33/37/891203337.db2.gz LKCSHGMAHSSJMA-UHFFFAOYSA-N 2 2 295.387 -0.131 20 0 CBADLP [NH3+]CCCCn1cc(C[NH+]2CCC(O)CC2)nn1 ZINC001352144754 891231932 /nfs/dbraw/zinc/23/19/32/891231932.db2.gz YMBAWZSOKMJPPZ-UHFFFAOYSA-N 2 2 253.350 -0.026 20 0 CBADLP C[C@@H](O)C[N@H+](C)C[C@H](O)CN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001449203233 913539629 /nfs/dbraw/zinc/53/96/29/913539629.db2.gz XXKRYZAOYRPDLP-YPMHNXCESA-N 2 2 298.387 -0.526 20 0 CBADLP C[C@@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001449203233 913539645 /nfs/dbraw/zinc/53/96/45/913539645.db2.gz XXKRYZAOYRPDLP-YPMHNXCESA-N 2 2 298.387 -0.526 20 0 CBADLP C[C@@H](O)C[N@H+](C)C[C@H](O)CN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001449203233 913539667 /nfs/dbraw/zinc/53/96/67/913539667.db2.gz XXKRYZAOYRPDLP-YPMHNXCESA-N 2 2 298.387 -0.526 20 0 CBADLP C[C@@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001449203233 913539687 /nfs/dbraw/zinc/53/96/87/913539687.db2.gz XXKRYZAOYRPDLP-YPMHNXCESA-N 2 2 298.387 -0.526 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N(C)C[C@H](O)C[NH2+]Cc1cnon1 ZINC001449198992 913540617 /nfs/dbraw/zinc/54/06/17/913540617.db2.gz VXZVSYGOYSRWEU-GFCCVEGCSA-N 2 2 299.375 -0.681 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N(C)C[C@H](O)C[NH2+]Cc1cnon1 ZINC001449198992 913540630 /nfs/dbraw/zinc/54/06/30/913540630.db2.gz VXZVSYGOYSRWEU-GFCCVEGCSA-N 2 2 299.375 -0.681 20 0 CBADLP Cn1c[nH+]c(CCNC(=O)C(=O)N2CCCC[C@H]2C[NH3+])c1 ZINC001353258533 891388120 /nfs/dbraw/zinc/38/81/20/891388120.db2.gz FVWVWOAUJCZOLG-LBPRGKRZSA-N 2 2 293.371 -0.581 20 0 CBADLP CON(C)C(=O)CC[NH2+][C@H](C)[C@H]1C[N@H+](C)CCN1C ZINC001353315365 891402650 /nfs/dbraw/zinc/40/26/50/891402650.db2.gz JXMRNUKHLLFVEX-VXGBXAGGSA-N 2 2 272.393 -0.380 20 0 CBADLP CON(C)C(=O)CC[NH2+][C@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC001353315365 891402662 /nfs/dbraw/zinc/40/26/62/891402662.db2.gz JXMRNUKHLLFVEX-VXGBXAGGSA-N 2 2 272.393 -0.380 20 0 CBADLP [NH3+][C@H](CC(=O)N1CCC[C@@H]([NH2+]CCO)C1)C(F)F ZINC001354438761 891581740 /nfs/dbraw/zinc/58/17/40/891581740.db2.gz ZINSPGPWSWVZDD-RKDXNWHRSA-N 2 2 265.304 -0.458 20 0 CBADLP CC(C)C[NH2+]CC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001354770752 891614862 /nfs/dbraw/zinc/61/48/62/891614862.db2.gz DBFHUFFCMGHELB-UHFFFAOYSA-N 3 2 256.394 -0.229 20 0 CBADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)COCC[NH3+] ZINC001354853533 891623209 /nfs/dbraw/zinc/62/32/09/891623209.db2.gz DKNYVNSHQMPSOM-LLVKDONJSA-N 2 2 259.350 -0.811 20 0 CBADLP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC001356438614 891760670 /nfs/dbraw/zinc/76/06/70/891760670.db2.gz PZFVTVMEHQFQGE-OUAUKWLOSA-N 2 2 291.355 -0.962 20 0 CBADLP COCCOC[C@@H](O)C[NH2+][C@H]1Cc2c[nH+]cn2C1 ZINC001357209032 891857870 /nfs/dbraw/zinc/85/78/70/891857870.db2.gz FAEPMZDQFYHSFA-JQWIXIFHSA-N 2 2 255.318 -0.579 20 0 CBADLP Cc1ncoc1C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001357263378 891865080 /nfs/dbraw/zinc/86/50/80/891865080.db2.gz ZZAZANNQJKRKNY-GFCCVEGCSA-N 2 2 268.361 -0.319 20 0 CBADLP [NH3+]CCN1CCC[C@@H](C(=O)NCCCn2cc[nH+]c2)C1=O ZINC001357327709 891871355 /nfs/dbraw/zinc/87/13/55/891871355.db2.gz YDKJBSYGKXGSSS-LBPRGKRZSA-N 2 2 293.371 -0.413 20 0 CBADLP Cn1c[nH+]c(CCNC(=O)N[C@H]2C[C@H](C[NH3+])C2)c1 ZINC001357432905 891893862 /nfs/dbraw/zinc/89/38/62/891893862.db2.gz CIQJQBLANMIOBH-HOMQSWHASA-N 2 2 251.334 -0.001 20 0 CBADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)NC/C=C/C[NH3+] ZINC001357483556 891903356 /nfs/dbraw/zinc/90/33/56/891903356.db2.gz MAPVUKXYAHPFOF-PCAWENJQSA-N 2 2 270.377 -0.089 20 0 CBADLP C[C@H]1C[C@H]([NH3+])CN1C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001357583507 891917441 /nfs/dbraw/zinc/91/74/41/891917441.db2.gz VIQPNYZQIMBPBJ-JQWIXIFHSA-N 3 2 269.393 -0.459 20 0 CBADLP O=C(NC[C@@H]1C[NH2+]CCO1)[C@H]1CCc2c[nH+]cn2C1 ZINC001357618279 891919799 /nfs/dbraw/zinc/91/97/99/891919799.db2.gz DZMQFLUAWJFICA-JQWIXIFHSA-N 2 2 264.329 -0.450 20 0 CBADLP Cc1ncncc1C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001358119646 891975950 /nfs/dbraw/zinc/97/59/50/891975950.db2.gz RDMMPYHEDLDXBG-UHFFFAOYSA-N 2 2 263.345 -0.062 20 0 CBADLP CC1(C)C[NH2+]C[C@@H]1NC(=O)/C=C\C[NH+]1CCOCC1 ZINC001358408237 892001280 /nfs/dbraw/zinc/00/12/80/892001280.db2.gz VEFCOJBGJMSKHN-MVZIDQBPSA-N 2 2 267.373 -0.011 20 0 CBADLP CC[N@@H+]1CC[C@@H]1C(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC001361755452 892222477 /nfs/dbraw/zinc/22/24/77/892222477.db2.gz NCHWYPSJDMXLRB-GFCCVEGCSA-N 2 2 282.388 -0.687 20 0 CBADLP CC[N@H+]1CC[C@@H]1C(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC001361755452 892222497 /nfs/dbraw/zinc/22/24/97/892222497.db2.gz NCHWYPSJDMXLRB-GFCCVEGCSA-N 2 2 282.388 -0.687 20 0 CBADLP C[C@@H](CC(N)=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001362269054 892552895 /nfs/dbraw/zinc/55/28/95/892552895.db2.gz KRIKFVYHQKGFEL-NWDGAFQWSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@@H](CC(N)=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001362269054 892552903 /nfs/dbraw/zinc/55/29/03/892552903.db2.gz KRIKFVYHQKGFEL-NWDGAFQWSA-N 2 2 296.415 -0.217 20 0 CBADLP C[N@@H+]1CC[C@H](C(=O)NC2CC[NH+]([C@H]3CCOC3=O)CC2)C1 ZINC001362319556 892592602 /nfs/dbraw/zinc/59/26/02/892592602.db2.gz MFAPFHKNEKUJDN-AAEUAGOBSA-N 2 2 295.383 -0.166 20 0 CBADLP C[N@H+]1CC[C@H](C(=O)NC2CC[NH+]([C@H]3CCOC3=O)CC2)C1 ZINC001362319556 892592606 /nfs/dbraw/zinc/59/26/06/892592606.db2.gz MFAPFHKNEKUJDN-AAEUAGOBSA-N 2 2 295.383 -0.166 20 0 CBADLP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC[NH+]2C[C@@H](F)C[C@H]2C1 ZINC001362488953 892723432 /nfs/dbraw/zinc/72/34/32/892723432.db2.gz HHKIVRDRCRDSNM-FMSGJZPZSA-N 2 2 285.363 -0.304 20 0 CBADLP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC[NH+]2C[C@@H](F)C[C@H]2C1 ZINC001362488953 892723438 /nfs/dbraw/zinc/72/34/38/892723438.db2.gz HHKIVRDRCRDSNM-FMSGJZPZSA-N 2 2 285.363 -0.304 20 0 CBADLP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC[N@@H+]2C[C@@H](F)C[C@H]2C1 ZINC001362488953 892723443 /nfs/dbraw/zinc/72/34/43/892723443.db2.gz HHKIVRDRCRDSNM-FMSGJZPZSA-N 2 2 285.363 -0.304 20 0 CBADLP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC[N@H+]2C[C@@H](F)C[C@H]2C1 ZINC001362488953 892723447 /nfs/dbraw/zinc/72/34/47/892723447.db2.gz HHKIVRDRCRDSNM-FMSGJZPZSA-N 2 2 285.363 -0.304 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001450485643 913701733 /nfs/dbraw/zinc/70/17/33/913701733.db2.gz UNLPKDXCXSHFAC-UHFFFAOYSA-N 2 2 293.371 -0.381 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001450485643 913701748 /nfs/dbraw/zinc/70/17/48/913701748.db2.gz UNLPKDXCXSHFAC-UHFFFAOYSA-N 2 2 293.371 -0.381 20 0 CBADLP C[C@H]1C[N@H+](CCO)CCN1C(=O)C[NH+](C)[C@@H]1CCC[C@H]1O ZINC001362740881 892986402 /nfs/dbraw/zinc/98/64/02/892986402.db2.gz WBPARDCIHPHABL-BFHYXJOUSA-N 2 2 299.415 -0.643 20 0 CBADLP C[C@H]1C[N@@H+](CCO)CCN1C(=O)C[NH+](C)[C@@H]1CCC[C@H]1O ZINC001362740881 892986420 /nfs/dbraw/zinc/98/64/20/892986420.db2.gz WBPARDCIHPHABL-BFHYXJOUSA-N 2 2 299.415 -0.643 20 0 CBADLP C[C@H]1C[NH+](CCO)CCN1C(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O ZINC001362740881 892986432 /nfs/dbraw/zinc/98/64/32/892986432.db2.gz WBPARDCIHPHABL-BFHYXJOUSA-N 2 2 299.415 -0.643 20 0 CBADLP C[C@H]1C[NH+](CCO)CCN1C(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O ZINC001362740881 892986448 /nfs/dbraw/zinc/98/64/48/892986448.db2.gz WBPARDCIHPHABL-BFHYXJOUSA-N 2 2 299.415 -0.643 20 0 CBADLP C[C@@H]1C[N@H+](CCO)CCN1C(=O)C[NH+](C)[C@@H]1CCC[C@H]1O ZINC001362740883 892986989 /nfs/dbraw/zinc/98/69/89/892986989.db2.gz WBPARDCIHPHABL-MGPQQGTHSA-N 2 2 299.415 -0.643 20 0 CBADLP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)C[NH+](C)[C@@H]1CCC[C@H]1O ZINC001362740883 892987001 /nfs/dbraw/zinc/98/70/01/892987001.db2.gz WBPARDCIHPHABL-MGPQQGTHSA-N 2 2 299.415 -0.643 20 0 CBADLP C[C@@H]1C[NH+](CCO)CCN1C(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O ZINC001362740883 892987010 /nfs/dbraw/zinc/98/70/10/892987010.db2.gz WBPARDCIHPHABL-MGPQQGTHSA-N 2 2 299.415 -0.643 20 0 CBADLP C[C@@H]1C[NH+](CCO)CCN1C(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O ZINC001362740883 892987027 /nfs/dbraw/zinc/98/70/27/892987027.db2.gz WBPARDCIHPHABL-MGPQQGTHSA-N 2 2 299.415 -0.643 20 0 CBADLP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)Cc1c[nH+]cn1C ZINC001362790356 893031784 /nfs/dbraw/zinc/03/17/84/893031784.db2.gz OJMZHZNYYLXYAS-VXGBXAGGSA-N 2 2 280.372 -0.124 20 0 CBADLP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)Cc1c[nH+]cn1C ZINC001362790356 893031806 /nfs/dbraw/zinc/03/18/06/893031806.db2.gz OJMZHZNYYLXYAS-VXGBXAGGSA-N 2 2 280.372 -0.124 20 0 CBADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H](C)[N@H+]1CCO ZINC001362852477 893107879 /nfs/dbraw/zinc/10/78/79/893107879.db2.gz NTCXUHORQHXOKQ-TXEJJXNPSA-N 2 2 280.372 -0.124 20 0 CBADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H](C)[N@@H+]1CCO ZINC001362852477 893107883 /nfs/dbraw/zinc/10/78/83/893107883.db2.gz NTCXUHORQHXOKQ-TXEJJXNPSA-N 2 2 280.372 -0.124 20 0 CBADLP CN1CC[N@H+](C)CC(C(=O)NCc2c[nH+]c3n2CCC3)C1 ZINC001362897515 893147398 /nfs/dbraw/zinc/14/73/98/893147398.db2.gz ZCJNUSIXBYIIFW-UHFFFAOYSA-N 2 2 291.399 -0.061 20 0 CBADLP CN1CC[N@@H+](C)CC(C(=O)NCc2c[nH+]c3n2CCC3)C1 ZINC001362897515 893147403 /nfs/dbraw/zinc/14/74/03/893147403.db2.gz ZCJNUSIXBYIIFW-UHFFFAOYSA-N 2 2 291.399 -0.061 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@@H](c3nn[nH]n3)C2)CC1 ZINC001363812320 894022593 /nfs/dbraw/zinc/02/25/93/894022593.db2.gz AJTGZZIUUQNOTH-LLVKDONJSA-N 2 2 293.375 -0.847 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@@H](c3nn[nH]n3)C2)CC1 ZINC001363812320 894022611 /nfs/dbraw/zinc/02/26/11/894022611.db2.gz AJTGZZIUUQNOTH-LLVKDONJSA-N 2 2 293.375 -0.847 20 0 CBADLP CCC[N@H+](CC)CCNS(=O)(=O)N1CC[NH+](C)CC1 ZINC001363938823 894106404 /nfs/dbraw/zinc/10/64/04/894106404.db2.gz GUJUSYHDSPWBGK-UHFFFAOYSA-N 2 2 292.449 -0.200 20 0 CBADLP CCC[N@@H+](CC)CCNS(=O)(=O)N1CC[NH+](C)CC1 ZINC001363938823 894106412 /nfs/dbraw/zinc/10/64/12/894106412.db2.gz GUJUSYHDSPWBGK-UHFFFAOYSA-N 2 2 292.449 -0.200 20 0 CBADLP CC(C)[C@H]1CN(S(=O)(=O)N2CC[NH+](C)CC2)CC[NH2+]1 ZINC001364025107 894151696 /nfs/dbraw/zinc/15/16/96/894151696.db2.gz AKSYWNNZJONSCQ-GFCCVEGCSA-N 2 2 290.433 -0.592 20 0 CBADLP C[C@H](CN1CC[NH+](C[C@H](C)O)CC1)C[NH+]1CCOCC1 ZINC001364394327 894387604 /nfs/dbraw/zinc/38/76/04/894387604.db2.gz RGCHJHIQKSQXCB-CABCVRRESA-N 2 2 285.432 -0.047 20 0 CBADLP C[C@H](O)C[NH+]1CCN(C[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001364394329 894388340 /nfs/dbraw/zinc/38/83/40/894388340.db2.gz RGCHJHIQKSQXCB-GJZGRUSLSA-N 2 2 285.432 -0.047 20 0 CBADLP C[C@@H]1C[NH+](CCO)CCN1CC[N@@H+]1CCO[C@@H](C)C1 ZINC001364445994 894428659 /nfs/dbraw/zinc/42/86/59/894428659.db2.gz NMYOFDGMZJBKNX-KGLIPLIRSA-N 2 2 271.405 -0.295 20 0 CBADLP C[C@@H]1C[NH+](CCO)CCN1CC[N@H+]1CCO[C@@H](C)C1 ZINC001364445994 894428676 /nfs/dbraw/zinc/42/86/76/894428676.db2.gz NMYOFDGMZJBKNX-KGLIPLIRSA-N 2 2 271.405 -0.295 20 0 CBADLP C[C@@H]1C[N@@H+](CCO)CCN1CC[NH+]1CCO[C@@H](C)C1 ZINC001364445994 894428691 /nfs/dbraw/zinc/42/86/91/894428691.db2.gz NMYOFDGMZJBKNX-KGLIPLIRSA-N 2 2 271.405 -0.295 20 0 CBADLP C[C@@H]1C[N@H+](CCO)CCN1CC[NH+]1CCO[C@@H](C)C1 ZINC001364445994 894428706 /nfs/dbraw/zinc/42/87/06/894428706.db2.gz NMYOFDGMZJBKNX-KGLIPLIRSA-N 2 2 271.405 -0.295 20 0 CBADLP C[C@@H]1CCC[N@@H+]1CCNS(=O)(=O)N1CC[NH+](C)CC1 ZINC001364821977 894639957 /nfs/dbraw/zinc/63/99/57/894639957.db2.gz NVFLPOWCERRWNV-GFCCVEGCSA-N 2 2 290.433 -0.448 20 0 CBADLP C[C@@H]1CCC[N@H+]1CCNS(=O)(=O)N1CC[NH+](C)CC1 ZINC001364821977 894639966 /nfs/dbraw/zinc/63/99/66/894639966.db2.gz NVFLPOWCERRWNV-GFCCVEGCSA-N 2 2 290.433 -0.448 20 0 CBADLP CC[NH+](CC)[C@H](C)CNS(=O)(=O)N1CC[NH+](C)CC1 ZINC001364856266 894656021 /nfs/dbraw/zinc/65/60/21/894656021.db2.gz UPEZKRJJTFCMNJ-GFCCVEGCSA-N 2 2 292.449 -0.202 20 0 CBADLP CC(C)[N@@H+](C)C[C@H](C)NS(=O)(=O)N1CC[NH+](C)CC1 ZINC001364868437 894662631 /nfs/dbraw/zinc/66/26/31/894662631.db2.gz AQJYTQPEJFBHBW-LBPRGKRZSA-N 2 2 292.449 -0.203 20 0 CBADLP CC(C)[N@H+](C)C[C@H](C)NS(=O)(=O)N1CC[NH+](C)CC1 ZINC001364868437 894662640 /nfs/dbraw/zinc/66/26/40/894662640.db2.gz AQJYTQPEJFBHBW-LBPRGKRZSA-N 2 2 292.449 -0.203 20 0 CBADLP C[C@H]1CC[N@H+](CC(=O)NCC(=O)N2CC[NH+](C)CC2)C1 ZINC001365183189 894804628 /nfs/dbraw/zinc/80/46/28/894804628.db2.gz NJOYYEKNMSRCSK-LBPRGKRZSA-N 2 2 282.388 -0.782 20 0 CBADLP C[C@H]1CC[N@@H+](CC(=O)NCC(=O)N2CC[NH+](C)CC2)C1 ZINC001365183189 894804646 /nfs/dbraw/zinc/80/46/46/894804646.db2.gz NJOYYEKNMSRCSK-LBPRGKRZSA-N 2 2 282.388 -0.782 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@](C)(COC)CC(=O)OC ZINC001365273666 894862182 /nfs/dbraw/zinc/86/21/82/894862182.db2.gz GQUHKYSLQVKWFS-WCQYABFASA-N 2 2 276.377 -0.143 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@](C)(COC)CC(=O)OC ZINC001365273666 894862192 /nfs/dbraw/zinc/86/21/92/894862192.db2.gz GQUHKYSLQVKWFS-WCQYABFASA-N 2 2 276.377 -0.143 20 0 CBADLP CCC[N@@H+]1CC[C@H](NS(=O)(=O)N2CC[NH+](C)CC2)C1 ZINC001365444042 894971385 /nfs/dbraw/zinc/97/13/85/894971385.db2.gz AHJHUAUTXVGRTG-LBPRGKRZSA-N 2 2 290.433 -0.448 20 0 CBADLP CCC[N@H+]1CC[C@H](NS(=O)(=O)N2CC[NH+](C)CC2)C1 ZINC001365444042 894971395 /nfs/dbraw/zinc/97/13/95/894971395.db2.gz AHJHUAUTXVGRTG-LBPRGKRZSA-N 2 2 290.433 -0.448 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H]1CN(C)C(=O)C[NH+]1CCCC1 ZINC001365801531 895122416 /nfs/dbraw/zinc/12/24/16/895122416.db2.gz HTVMFLGOFOOOOS-OLZOCXBDSA-N 2 2 296.415 -0.121 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+]1CC[C@@H]1CN(C)C(=O)C[NH+]1CCCC1 ZINC001365801531 895122425 /nfs/dbraw/zinc/12/24/25/895122425.db2.gz HTVMFLGOFOOOOS-OLZOCXBDSA-N 2 2 296.415 -0.121 20 0 CBADLP C[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001366167646 895212858 /nfs/dbraw/zinc/21/28/58/895212858.db2.gz WUXMDLUBQMILRI-SDDRHHMPSA-N 2 2 280.372 -0.030 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001366206319 895221738 /nfs/dbraw/zinc/22/17/38/895221738.db2.gz QXQCRRJOFIUTIZ-NSHDSACASA-N 2 2 293.371 -0.474 20 0 CBADLP CC[C@@H]([NH2+][C@H](C)CNC(=O)CCc1[nH+]ccn1C)C(N)=O ZINC001366305411 895266369 /nfs/dbraw/zinc/26/63/69/895266369.db2.gz HLRRUADCGMNSKV-GHMZBOCLSA-N 2 2 295.387 -0.289 20 0 CBADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]Cc1cnnn1C ZINC001366344284 895284085 /nfs/dbraw/zinc/28/40/85/895284085.db2.gz HAWIOKRQCQPKRL-SECBINFHSA-N 2 2 277.332 -0.625 20 0 CBADLP CC(C)NC(=O)C[NH2+][C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001366347905 895291597 /nfs/dbraw/zinc/29/15/97/895291597.db2.gz VSKQTOFDMSXNIM-SNVBAGLBSA-N 2 2 281.360 -0.429 20 0 CBADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CC(=O)NC1CC1 ZINC001366367747 895293591 /nfs/dbraw/zinc/29/35/91/895293591.db2.gz AECGLBGAOQKKSL-JTQLQIEISA-N 2 2 279.344 -0.744 20 0 CBADLP C[C@@H](CCNC(=O)Cc1c[nH]c[nH+]1)[NH2+]Cc1cn(C)nn1 ZINC001366488771 895332733 /nfs/dbraw/zinc/33/27/33/895332733.db2.gz WDZZYOBERQEMBB-JTQLQIEISA-N 2 2 291.359 -0.235 20 0 CBADLP C[C@@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]Cc1nnn(C)n1 ZINC001366513073 895342156 /nfs/dbraw/zinc/34/21/56/895342156.db2.gz YCKCZYOWRZRUDB-NSHDSACASA-N 2 2 295.391 -0.710 20 0 CBADLP C[C@@H](O)C[N@H+](C)CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001366546113 895369945 /nfs/dbraw/zinc/36/99/45/895369945.db2.gz MNWGGJLWCQMUFE-NEPJUHHUSA-N 2 2 280.372 -0.126 20 0 CBADLP C[C@@H](O)C[N@@H+](C)CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001366546113 895369961 /nfs/dbraw/zinc/36/99/61/895369961.db2.gz MNWGGJLWCQMUFE-NEPJUHHUSA-N 2 2 280.372 -0.126 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001366700092 895434744 /nfs/dbraw/zinc/43/47/44/895434744.db2.gz UXOUDPDAPBUURX-CMPLNLGQSA-N 2 2 291.355 -0.721 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001366700092 895434747 /nfs/dbraw/zinc/43/47/47/895434747.db2.gz UXOUDPDAPBUURX-CMPLNLGQSA-N 2 2 291.355 -0.721 20 0 CBADLP C[C@H]([NH2+]CCN(C)C(=O)C[C@H](C)n1cc[nH+]c1)C(N)=O ZINC001366772283 895456592 /nfs/dbraw/zinc/45/65/92/895456592.db2.gz GQWRERGCKJHSSH-QWRGUYRKSA-N 2 2 281.360 -0.244 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@H](CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001366848032 895466974 /nfs/dbraw/zinc/46/69/74/895466974.db2.gz WQWRSSPYZAFPOZ-QWRGUYRKSA-N 2 2 293.371 -0.346 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CC[C@H](CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001366848032 895466979 /nfs/dbraw/zinc/46/69/79/895466979.db2.gz WQWRSSPYZAFPOZ-QWRGUYRKSA-N 2 2 293.371 -0.346 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+](C)C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001366871700 895474112 /nfs/dbraw/zinc/47/41/12/895474112.db2.gz OZWDPOVGNPYPAO-RYUDHWBXSA-N 2 2 293.371 -0.463 20 0 CBADLP C[NH+](C)CCC(=O)NCC1C[NH+](CC(=O)NCC2CC2)C1 ZINC001366979607 895512898 /nfs/dbraw/zinc/51/28/98/895512898.db2.gz ZUMHFTDGEIAWFO-UHFFFAOYSA-N 2 2 296.415 -0.488 20 0 CBADLP C[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H]1CCCNC1=O ZINC001366995612 895522632 /nfs/dbraw/zinc/52/26/32/895522632.db2.gz DMCQPFPKRDVOBM-AVGNSLFASA-N 2 2 294.399 -0.498 20 0 CBADLP C[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CCCNC1=O ZINC001366995612 895522640 /nfs/dbraw/zinc/52/26/40/895522640.db2.gz DMCQPFPKRDVOBM-AVGNSLFASA-N 2 2 294.399 -0.498 20 0 CBADLP CC[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]Cc1ccon1 ZINC001367092157 895563409 /nfs/dbraw/zinc/56/34/09/895563409.db2.gz WGZCIBMYIDOAHO-YPMHNXCESA-N 2 2 296.371 -0.010 20 0 CBADLP CC[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]Cc1ccon1 ZINC001367092157 895563417 /nfs/dbraw/zinc/56/34/17/895563417.db2.gz WGZCIBMYIDOAHO-YPMHNXCESA-N 2 2 296.371 -0.010 20 0 CBADLP CC[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]Cc1ccon1 ZINC001367092151 895563518 /nfs/dbraw/zinc/56/35/18/895563518.db2.gz WGZCIBMYIDOAHO-WCQYABFASA-N 2 2 296.371 -0.010 20 0 CBADLP CC[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]Cc1ccon1 ZINC001367092151 895563525 /nfs/dbraw/zinc/56/35/25/895563525.db2.gz WGZCIBMYIDOAHO-WCQYABFASA-N 2 2 296.371 -0.010 20 0 CBADLP CC[C@@H]([NH2+][C@@H](CC)CNC(=O)Cc1c[nH+]cn1C)C(N)=O ZINC001367137640 895574790 /nfs/dbraw/zinc/57/47/90/895574790.db2.gz LMSHFYCMNKAKKR-CMPLNLGQSA-N 2 2 295.387 -0.289 20 0 CBADLP C[C@H]([NH2+]C[C@](C)(NC(=O)Cc1c[nH]c[nH+]1)C1CC1)C(N)=O ZINC001367183889 895579816 /nfs/dbraw/zinc/57/98/16/895579816.db2.gz VCTFGBFFQZTXFY-XPTSAGLGSA-N 2 2 293.371 -0.300 20 0 CBADLP COC[C@H](O)C[NH2+]C[C@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001367225872 895585949 /nfs/dbraw/zinc/58/59/49/895585949.db2.gz DHBBRRRHNPKDMJ-VXGBXAGGSA-N 2 2 296.371 -0.460 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001367266318 895598952 /nfs/dbraw/zinc/59/89/52/895598952.db2.gz NFXWDKRWKPLEIO-LLVKDONJSA-N 2 2 281.360 -0.639 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC001367285702 895605028 /nfs/dbraw/zinc/60/50/28/895605028.db2.gz IJWSQGUOWOJIMA-LLVKDONJSA-N 2 2 295.387 -0.559 20 0 CBADLP C[C@@H](C[NH2+]CC(=O)NC1CC1)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001367391154 895628983 /nfs/dbraw/zinc/62/89/83/895628983.db2.gz XYAGKQHTXLLDEK-JTQLQIEISA-N 2 2 293.371 -0.333 20 0 CBADLP CNC(=O)C[NH2+][C@H](CNC(=O)Cn1cc[nH+]c1)C(C)C ZINC001367499541 895645389 /nfs/dbraw/zinc/64/53/89/895645389.db2.gz WVMSPMXTTJEUGX-LLVKDONJSA-N 2 2 281.360 -0.641 20 0 CBADLP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]Cc1cnon1 ZINC001367595094 895690925 /nfs/dbraw/zinc/69/09/25/895690925.db2.gz UIACSJBDPRSUER-VXGBXAGGSA-N 2 2 297.359 -0.879 20 0 CBADLP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]Cc1cnon1 ZINC001367595094 895690932 /nfs/dbraw/zinc/69/09/32/895690932.db2.gz UIACSJBDPRSUER-VXGBXAGGSA-N 2 2 297.359 -0.879 20 0 CBADLP CC[C@@H](F)C[NH2+]C[C@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001367610225 895702072 /nfs/dbraw/zinc/70/20/72/895702072.db2.gz JKJYXUQZCVADSW-KOLCDFICSA-N 2 2 272.324 -0.233 20 0 CBADLP Cc1noc(C[NH2+]C[C@@H](O)CNC(=O)C[NH+]2CCCC2)n1 ZINC001367623315 895710547 /nfs/dbraw/zinc/71/05/47/895710547.db2.gz JSZLUGNVNIGSQK-LLVKDONJSA-N 2 2 297.359 -0.959 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001367689317 895750596 /nfs/dbraw/zinc/75/05/96/895750596.db2.gz AAJYDDVBKBRXRR-GHMZBOCLSA-N 2 2 281.360 -0.498 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001367711814 895760016 /nfs/dbraw/zinc/76/00/16/895760016.db2.gz PGDGSGBSZQAWMR-SCZZXKLOSA-N 2 2 281.360 -0.511 20 0 CBADLP CCCNC(=O)C[NH2+]C[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001367710671 895761242 /nfs/dbraw/zinc/76/12/42/895761242.db2.gz IUFVKZQSUAKCFK-SNVBAGLBSA-N 2 2 295.387 -0.119 20 0 CBADLP C[C@H](C[NH2+]CC(=O)NC1CC1)NC(=O)Cc1c[nH+]cn1C ZINC001367707438 895761734 /nfs/dbraw/zinc/76/17/34/895761734.db2.gz SCEGKNAZRYWDPV-SNVBAGLBSA-N 2 2 293.371 -0.665 20 0 CBADLP C[C@@H](C[NH2+]Cc1cnn(C)c1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001367729218 895776496 /nfs/dbraw/zinc/77/64/96/895776496.db2.gz MFXZGPJTLAFJMI-AAEUAGOBSA-N 2 2 295.387 -0.655 20 0 CBADLP C[C@@H](C[NH2+]Cc1cnn(C)c1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001367729218 895776512 /nfs/dbraw/zinc/77/65/12/895776512.db2.gz MFXZGPJTLAFJMI-AAEUAGOBSA-N 2 2 295.387 -0.655 20 0 CBADLP C[C@@H](C[NH2+][C@@H]1CCN(C)C1=O)NC(=O)Cn1cc[nH+]c1 ZINC001367774864 895800925 /nfs/dbraw/zinc/80/09/25/895800925.db2.gz WLEIJKLSRYFEKQ-WDEREUQCSA-N 2 2 279.344 -0.792 20 0 CBADLP C[C@H](C[N@H+](C)CCO)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001367815633 895818146 /nfs/dbraw/zinc/81/81/46/895818146.db2.gz RRWMIHGGPLNOAZ-VXGBXAGGSA-N 2 2 280.372 -0.126 20 0 CBADLP C[C@H](C[N@@H+](C)CCO)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001367815633 895818151 /nfs/dbraw/zinc/81/81/51/895818151.db2.gz RRWMIHGGPLNOAZ-VXGBXAGGSA-N 2 2 280.372 -0.126 20 0 CBADLP CNC(=O)[C@H](C)[N@H+](C)C[C@@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001367822671 895821499 /nfs/dbraw/zinc/82/14/99/895821499.db2.gz XOZSTADKVUIOPC-PWSUYJOCSA-N 2 2 295.387 -0.237 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+](C)C[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001367822661 895823096 /nfs/dbraw/zinc/82/30/96/895823096.db2.gz XOZSTADKVUIOPC-CMPLNLGQSA-N 2 2 295.387 -0.237 20 0 CBADLP C[C@H](C[N@H+](C)CC(N)=O)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001367877942 895843147 /nfs/dbraw/zinc/84/31/47/895843147.db2.gz JNVVDNVDCLYUGD-LLVKDONJSA-N 2 2 284.404 -0.217 20 0 CBADLP C[C@H](C[N@@H+](C)CC(N)=O)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001367877942 895843152 /nfs/dbraw/zinc/84/31/52/895843152.db2.gz JNVVDNVDCLYUGD-LLVKDONJSA-N 2 2 284.404 -0.217 20 0 CBADLP CC(C)OCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001367936943 895859608 /nfs/dbraw/zinc/85/96/08/895859608.db2.gz OTASIGFNOBROJW-UONOGXRCSA-N 2 2 299.415 -0.068 20 0 CBADLP CC(C)OCC[N@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001367936943 895859620 /nfs/dbraw/zinc/85/96/20/895859620.db2.gz OTASIGFNOBROJW-UONOGXRCSA-N 2 2 299.415 -0.068 20 0 CBADLP CC(C)OCC[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001367936943 895859632 /nfs/dbraw/zinc/85/96/32/895859632.db2.gz OTASIGFNOBROJW-UONOGXRCSA-N 2 2 299.415 -0.068 20 0 CBADLP CC(C)OCC[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001367936943 895859646 /nfs/dbraw/zinc/85/96/46/895859646.db2.gz OTASIGFNOBROJW-UONOGXRCSA-N 2 2 299.415 -0.068 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001367962325 895868983 /nfs/dbraw/zinc/86/89/83/895868983.db2.gz RHYJJFZYHNRUPP-NEPJUHHUSA-N 2 2 284.404 -0.347 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001367962325 895868987 /nfs/dbraw/zinc/86/89/87/895868987.db2.gz RHYJJFZYHNRUPP-NEPJUHHUSA-N 2 2 284.404 -0.347 20 0 CBADLP COC[C@H](O)C[N@@H+]1CC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001367988062 895882341 /nfs/dbraw/zinc/88/23/41/895882341.db2.gz WKZDOLQDDIDNPM-WCQYABFASA-N 2 2 296.371 -0.840 20 0 CBADLP COC[C@H](O)C[N@H+]1CC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001367988062 895882350 /nfs/dbraw/zinc/88/23/50/895882350.db2.gz WKZDOLQDDIDNPM-WCQYABFASA-N 2 2 296.371 -0.840 20 0 CBADLP COC[C@H](O)C[NH+]1CC(N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001368079418 895908259 /nfs/dbraw/zinc/90/82/59/895908259.db2.gz OKVYMEQZYRNZLT-CQSZACIVSA-N 2 2 299.415 -0.522 20 0 CBADLP CCC[N@H+](C)CC(=O)N(C)C1C[NH+](CCn2cncn2)C1 ZINC001368094237 895911766 /nfs/dbraw/zinc/91/17/66/895911766.db2.gz ZEZIWUYNRIGFLW-UHFFFAOYSA-N 2 2 294.403 -0.238 20 0 CBADLP CCC[N@@H+](C)CC(=O)N(C)C1C[NH+](CCn2cncn2)C1 ZINC001368094237 895911774 /nfs/dbraw/zinc/91/17/74/895911774.db2.gz ZEZIWUYNRIGFLW-UHFFFAOYSA-N 2 2 294.403 -0.238 20 0 CBADLP COC[C@H](O)C[NH2+]C[C@@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001368110690 895913939 /nfs/dbraw/zinc/91/39/39/895913939.db2.gz YLFYIOWORJRSSS-QWHCGFSZSA-N 2 2 296.371 -0.460 20 0 CBADLP NC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)CCCn1cc[nH+]c1 ZINC001368114709 895914800 /nfs/dbraw/zinc/91/48/00/895914800.db2.gz IXLYWXASDJAYMD-LBPRGKRZSA-N 2 2 293.371 -0.271 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@]1(C)CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001368177080 895928075 /nfs/dbraw/zinc/92/80/75/895928075.db2.gz WKCOQCFPEIYPDI-QMTHXVAHSA-N 2 2 293.371 -0.354 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@]1(C)CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001368177080 895928089 /nfs/dbraw/zinc/92/80/89/895928089.db2.gz WKCOQCFPEIYPDI-QMTHXVAHSA-N 2 2 293.371 -0.354 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@@]1(C)CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001368177078 895931083 /nfs/dbraw/zinc/93/10/83/895931083.db2.gz WKCOQCFPEIYPDI-HZMBPMFUSA-N 2 2 293.371 -0.354 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@@]1(C)CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001368177078 895931089 /nfs/dbraw/zinc/93/10/89/895931089.db2.gz WKCOQCFPEIYPDI-HZMBPMFUSA-N 2 2 293.371 -0.354 20 0 CBADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1(O)C[NH+](C[C@H](C)O)C1 ZINC001368294559 895969304 /nfs/dbraw/zinc/96/93/04/895969304.db2.gz LTLWKVFLYJCHRM-QWHCGFSZSA-N 2 2 299.415 -0.597 20 0 CBADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1(O)C[NH+](C[C@H](C)O)C1 ZINC001368294559 895969319 /nfs/dbraw/zinc/96/93/19/895969319.db2.gz LTLWKVFLYJCHRM-QWHCGFSZSA-N 2 2 299.415 -0.597 20 0 CBADLP CCCC[NH+]1CC(O)(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001368312091 895975577 /nfs/dbraw/zinc/97/55/77/895975577.db2.gz HASZLRMMWAPFNO-UHFFFAOYSA-N 2 2 299.415 -0.328 20 0 CBADLP COC[C@H](C)[NH+]1CC(O)(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001368318950 895980871 /nfs/dbraw/zinc/98/08/71/895980871.db2.gz OHIUFZCPBOOPPN-STQMWFEESA-N 2 2 299.415 -0.474 20 0 CBADLP COC[C@H](C)[NH+]1CC(O)(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001368318950 895980876 /nfs/dbraw/zinc/98/08/76/895980876.db2.gz OHIUFZCPBOOPPN-STQMWFEESA-N 2 2 299.415 -0.474 20 0 CBADLP C[NH+](C)CCCC(=O)NC[C@H]1COCC[N@@H+]1CCCO ZINC001368446909 896012999 /nfs/dbraw/zinc/01/29/99/896012999.db2.gz SYDQZGLRUPWONW-ZDUSSCGKSA-N 2 2 287.404 -0.472 20 0 CBADLP C[NH+](C)CCCC(=O)NC[C@H]1COCC[N@H+]1CCCO ZINC001368446909 896013010 /nfs/dbraw/zinc/01/30/10/896013010.db2.gz SYDQZGLRUPWONW-ZDUSSCGKSA-N 2 2 287.404 -0.472 20 0 CBADLP CCNC(=O)C[NH2+]C1(CNC(=O)Cc2[nH]cc[nH+]2)CCC1 ZINC001368490690 896019196 /nfs/dbraw/zinc/01/91/96/896019196.db2.gz QTZXDCSQGFQNSU-UHFFFAOYSA-N 2 2 293.371 -0.283 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)NCC1([NH2+]CCO)CCC1 ZINC001368484749 896020265 /nfs/dbraw/zinc/02/02/65/896020265.db2.gz JAGSXYXEZHMQQA-UHFFFAOYSA-N 2 2 280.372 -0.027 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+](C)CCCN(C)C(=O)Cn1cc[nH+]c1 ZINC001368563969 896039924 /nfs/dbraw/zinc/03/99/24/896039924.db2.gz GRXBJOAKGJPBPY-GFCCVEGCSA-N 2 2 295.387 -0.202 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+](C)CCCN(C)C(=O)Cn1cc[nH+]c1 ZINC001368563969 896039938 /nfs/dbraw/zinc/03/99/38/896039938.db2.gz GRXBJOAKGJPBPY-GFCCVEGCSA-N 2 2 295.387 -0.202 20 0 CBADLP C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)[C@@H](C)[NH2+]CCn1cncn1 ZINC001368873223 896103345 /nfs/dbraw/zinc/10/33/45/896103345.db2.gz MVLKYQDCRVVPCQ-GHMZBOCLSA-N 2 2 291.359 -0.273 20 0 CBADLP C[C@H](NC(=O)Cc1c[nH]c[nH+]1)[C@H](C)[NH2+]CCn1cncn1 ZINC001368873230 896105059 /nfs/dbraw/zinc/10/50/59/896105059.db2.gz MVLKYQDCRVVPCQ-QWRGUYRKSA-N 2 2 291.359 -0.273 20 0 CBADLP COC[C@H](O)C[N@H+](C)[C@@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001368992934 896133209 /nfs/dbraw/zinc/13/32/09/896133209.db2.gz CTIQFLRLXBCVGZ-CMPLNLGQSA-N 2 2 298.387 -0.296 20 0 CBADLP COC[C@H](O)C[N@@H+](C)[C@@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001368992934 896133210 /nfs/dbraw/zinc/13/32/10/896133210.db2.gz CTIQFLRLXBCVGZ-CMPLNLGQSA-N 2 2 298.387 -0.296 20 0 CBADLP CC[C@@H](C(N)=O)[NH+]1CC([C@@H](C)NC(=O)Cn2cc[nH+]c2)C1 ZINC001369093466 896150032 /nfs/dbraw/zinc/15/00/32/896150032.db2.gz KZZUCWSIFLZNDN-PWSUYJOCSA-N 2 2 293.371 -0.417 20 0 CBADLP COCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001369138630 896159266 /nfs/dbraw/zinc/15/92/66/896159266.db2.gz FDSUTOXEVHUPKJ-XYYAHUGASA-N 2 2 278.356 -0.107 20 0 CBADLP COCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001369138630 896159272 /nfs/dbraw/zinc/15/92/72/896159272.db2.gz FDSUTOXEVHUPKJ-XYYAHUGASA-N 2 2 278.356 -0.107 20 0 CBADLP CCC[N@H+](C)CC(=O)N[C@@H](C)C1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001369141579 896159930 /nfs/dbraw/zinc/15/99/30/896159930.db2.gz CWVXZRWXVSBKPK-QWRGUYRKSA-N 2 2 284.404 -0.362 20 0 CBADLP CCC[N@@H+](C)CC(=O)N[C@@H](C)C1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001369141579 896159942 /nfs/dbraw/zinc/15/99/42/896159942.db2.gz CWVXZRWXVSBKPK-QWRGUYRKSA-N 2 2 284.404 -0.362 20 0 CBADLP C[C@@H](CN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1)[NH2+]CC(N)=O ZINC001369254989 896180484 /nfs/dbraw/zinc/18/04/84/896180484.db2.gz BEIRXSKWCDEBJY-QWRGUYRKSA-N 2 2 293.371 -0.633 20 0 CBADLP C[NH+](C)C1(C(=O)NC[C@@H](CO)[NH2+]Cc2ccon2)CCC1 ZINC001369321215 896212756 /nfs/dbraw/zinc/21/27/56/896212756.db2.gz CXKMFXNZBAXUIU-LBPRGKRZSA-N 2 2 296.371 -0.274 20 0 CBADLP CO[C@H](C)C[NH2+][C@H](CO)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001369369756 896242899 /nfs/dbraw/zinc/24/28/99/896242899.db2.gz HEYYSMOSYWODEU-ZJUUUORDSA-N 2 2 270.333 -0.946 20 0 CBADLP CC[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc1cc(C)on1)[NH+](C)C ZINC001369375327 896247044 /nfs/dbraw/zinc/24/70/44/896247044.db2.gz BPODOGMWHHEKHR-QWHCGFSZSA-N 2 2 298.387 -0.110 20 0 CBADLP COCC[N@H+](C)C[C@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001369517888 896306988 /nfs/dbraw/zinc/30/69/88/896306988.db2.gz OYFFLDVCOURBBJ-NSHDSACASA-N 2 2 284.360 -0.650 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001369517888 896307002 /nfs/dbraw/zinc/30/70/02/896307002.db2.gz OYFFLDVCOURBBJ-NSHDSACASA-N 2 2 284.360 -0.650 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]C1CC(N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001369581649 896323246 /nfs/dbraw/zinc/32/32/46/896323246.db2.gz FDTIJUXJJMEVPB-BMQDGWLCSA-N 2 2 293.371 -0.334 20 0 CBADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)N(C)C(=O)CC[NH+](C)C ZINC001369873356 896353533 /nfs/dbraw/zinc/35/35/33/896353533.db2.gz DVPBSZDRQSJQFT-LBPRGKRZSA-N 2 2 295.387 -0.202 20 0 CBADLP C[C@@H]([NH2+]C[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1)C(N)=O ZINC001370952595 896524112 /nfs/dbraw/zinc/52/41/12/896524112.db2.gz SBPDYNIKPLITFR-PWSUYJOCSA-N 2 2 293.371 -0.203 20 0 CBADLP Cc1nnc(C[NH2+][C@H](C)CNC(=O)Cn2cc[nH+]c2C)[nH]1 ZINC001371468378 896616433 /nfs/dbraw/zinc/61/64/33/896616433.db2.gz HGWICRCYBUIPDF-SECBINFHSA-N 2 2 291.359 -0.087 20 0 CBADLP COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001371510289 896626981 /nfs/dbraw/zinc/62/69/81/896626981.db2.gz MVOVXZHOOXEJQK-STQMWFEESA-N 2 2 296.371 -0.460 20 0 CBADLP COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001371510289 896626988 /nfs/dbraw/zinc/62/69/88/896626988.db2.gz MVOVXZHOOXEJQK-STQMWFEESA-N 2 2 296.371 -0.460 20 0 CBADLP NC(=O)C[NH2+]C[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001371561830 896635242 /nfs/dbraw/zinc/63/52/42/896635242.db2.gz GWRQYHDWQYPYMV-SNVBAGLBSA-N 2 2 279.344 -0.734 20 0 CBADLP NC(=O)C[NH2+]C[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001371561830 896635243 /nfs/dbraw/zinc/63/52/43/896635243.db2.gz GWRQYHDWQYPYMV-SNVBAGLBSA-N 2 2 279.344 -0.734 20 0 CBADLP NC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001371561828 896635437 /nfs/dbraw/zinc/63/54/37/896635437.db2.gz GWRQYHDWQYPYMV-JTQLQIEISA-N 2 2 279.344 -0.734 20 0 CBADLP NC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001371561828 896635449 /nfs/dbraw/zinc/63/54/49/896635449.db2.gz GWRQYHDWQYPYMV-JTQLQIEISA-N 2 2 279.344 -0.734 20 0 CBADLP C[C@@H](CC(=O)N1CC[C@@H](C[NH2+]CC(N)=O)C1)n1cc[nH+]c1 ZINC001371621992 896643539 /nfs/dbraw/zinc/64/35/39/896643539.db2.gz WSXADIYRCSCTIG-RYUDHWBXSA-N 2 2 293.371 -0.242 20 0 CBADLP CC[C@H]([NH2+]C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1)C(N)=O ZINC001371615343 896645301 /nfs/dbraw/zinc/64/53/01/896645301.db2.gz LBMGNDIQBUNDMJ-QWRGUYRKSA-N 2 2 293.371 -0.346 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@H](C)CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001371883459 896674577 /nfs/dbraw/zinc/67/45/77/896674577.db2.gz RKIHCFIBXPVIPZ-KOLCDFICSA-N 2 2 295.387 -0.120 20 0 CBADLP C[N@H+](CCNC(=O)CC[C@H]1CCC[NH+]1C)CC(N)=O ZINC001371999915 896707403 /nfs/dbraw/zinc/70/74/03/896707403.db2.gz NHVWIGVTRGNWCI-LLVKDONJSA-N 2 2 270.377 -0.606 20 0 CBADLP C[N@@H+](CCNC(=O)CC[C@H]1CCC[NH+]1C)CC(N)=O ZINC001371999915 896707418 /nfs/dbraw/zinc/70/74/18/896707418.db2.gz NHVWIGVTRGNWCI-LLVKDONJSA-N 2 2 270.377 -0.606 20 0 CBADLP C[NH+](CCNC(=O)CC[C@H]1CCC[N@@H+]1C)CC(N)=O ZINC001371999915 896707429 /nfs/dbraw/zinc/70/74/29/896707429.db2.gz NHVWIGVTRGNWCI-LLVKDONJSA-N 2 2 270.377 -0.606 20 0 CBADLP C[NH+](CCNC(=O)CC[C@H]1CCC[N@H+]1C)CC(N)=O ZINC001371999915 896707443 /nfs/dbraw/zinc/70/74/43/896707443.db2.gz NHVWIGVTRGNWCI-LLVKDONJSA-N 2 2 270.377 -0.606 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NCC[N@H+](C)[C@H]1CCNC1=O ZINC001372044041 896714666 /nfs/dbraw/zinc/71/46/66/896714666.db2.gz JVBMSTHYOJUUDX-NSHDSACASA-N 2 2 279.344 -0.872 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NCC[N@@H+](C)[C@H]1CCNC1=O ZINC001372044041 896714648 /nfs/dbraw/zinc/71/46/48/896714648.db2.gz JVBMSTHYOJUUDX-NSHDSACASA-N 2 2 279.344 -0.872 20 0 CBADLP Cn1nccc1CC[N@H+](C)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001372166533 896741590 /nfs/dbraw/zinc/74/15/90/896741590.db2.gz WQLQMLVSGFRRPF-UHFFFAOYSA-N 2 2 290.371 -0.024 20 0 CBADLP Cn1nccc1CC[N@@H+](C)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001372166533 896741599 /nfs/dbraw/zinc/74/15/99/896741599.db2.gz WQLQMLVSGFRRPF-UHFFFAOYSA-N 2 2 290.371 -0.024 20 0 CBADLP Cn1cc(C[N@@H+]2CCC[C@H]2CNC(=O)CC[NH+](C)C)nn1 ZINC001372540744 896801999 /nfs/dbraw/zinc/80/19/99/896801999.db2.gz JEOIHORJPNIFGE-ZDUSSCGKSA-N 2 2 294.403 -0.153 20 0 CBADLP Cn1cc(C[N@H+]2CCC[C@H]2CNC(=O)CC[NH+](C)C)nn1 ZINC001372540744 896802011 /nfs/dbraw/zinc/80/20/11/896802011.db2.gz JEOIHORJPNIFGE-ZDUSSCGKSA-N 2 2 294.403 -0.153 20 0 CBADLP C[NH+](C)CC1(C(=O)NC[C@H]2CCC[N@@H+]2CC(N)=O)CC1 ZINC001372539959 896804330 /nfs/dbraw/zinc/80/43/30/896804330.db2.gz CYHMMJMCYHNAMB-LLVKDONJSA-N 2 2 282.388 -0.606 20 0 CBADLP C[NH+](C)CC1(C(=O)NC[C@H]2CCC[N@H+]2CC(N)=O)CC1 ZINC001372539959 896804337 /nfs/dbraw/zinc/80/43/37/896804337.db2.gz CYHMMJMCYHNAMB-LLVKDONJSA-N 2 2 282.388 -0.606 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)NC(=O)Cn1cc[nH+]c1 ZINC001372809967 896876288 /nfs/dbraw/zinc/87/62/88/896876288.db2.gz FZBUXGQNCMYRAZ-NWDGAFQWSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)NC(=O)Cn1cc[nH+]c1 ZINC001372809967 896876303 /nfs/dbraw/zinc/87/63/03/896876303.db2.gz FZBUXGQNCMYRAZ-NWDGAFQWSA-N 2 2 293.371 -0.402 20 0 CBADLP CC[NH+](CC)CC(=O)NC[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001372886092 896894165 /nfs/dbraw/zinc/89/41/65/896894165.db2.gz FTUMLTONVIGTIS-NSHDSACASA-N 2 2 295.387 -0.085 20 0 CBADLP C[C@H]([NH2+]CCN(C)C(=O)Cc1c[nH+]c[nH]1)C(=O)NC1CC1 ZINC001372948262 896912329 /nfs/dbraw/zinc/91/23/29/896912329.db2.gz INKSLYHFTFRPCV-JTQLQIEISA-N 2 2 293.371 -0.333 20 0 CBADLP CCC[N@@H+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2[C@@H](C)C(N)=O ZINC001373079489 896938220 /nfs/dbraw/zinc/93/82/20/896938220.db2.gz HLXAHIJKMDRSJQ-RWMBFGLXSA-N 2 2 296.415 -0.123 20 0 CBADLP CCC[NH+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)C(N)=O ZINC001373079489 896938223 /nfs/dbraw/zinc/93/82/23/896938223.db2.gz HLXAHIJKMDRSJQ-RWMBFGLXSA-N 2 2 296.415 -0.123 20 0 CBADLP CCC[NH+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(N)=O ZINC001373079489 896938224 /nfs/dbraw/zinc/93/82/24/896938224.db2.gz HLXAHIJKMDRSJQ-RWMBFGLXSA-N 2 2 296.415 -0.123 20 0 CBADLP CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001373385662 896990123 /nfs/dbraw/zinc/99/01/23/896990123.db2.gz REKLKWVIZADEML-TZMCWYRMSA-N 2 2 298.431 -0.101 20 0 CBADLP CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001373385662 896990132 /nfs/dbraw/zinc/99/01/32/896990132.db2.gz REKLKWVIZADEML-TZMCWYRMSA-N 2 2 298.431 -0.101 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001373631188 897082328 /nfs/dbraw/zinc/08/23/28/897082328.db2.gz TYFOQYACZWOCBT-GHMZBOCLSA-N 2 2 282.388 -0.465 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001373631188 897082299 /nfs/dbraw/zinc/08/22/99/897082299.db2.gz TYFOQYACZWOCBT-GHMZBOCLSA-N 2 2 282.388 -0.465 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001373631188 897082306 /nfs/dbraw/zinc/08/23/06/897082306.db2.gz TYFOQYACZWOCBT-GHMZBOCLSA-N 2 2 282.388 -0.465 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001373631188 897082317 /nfs/dbraw/zinc/08/23/17/897082317.db2.gz TYFOQYACZWOCBT-GHMZBOCLSA-N 2 2 282.388 -0.465 20 0 CBADLP CN(C(=O)C1(C[NH+](C)C)CC1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001373678915 897096603 /nfs/dbraw/zinc/09/66/03/897096603.db2.gz GWEDKSQMMADOCN-NSHDSACASA-N 2 2 282.388 -0.654 20 0 CBADLP CN(C(=O)C1(C[NH+](C)C)CC1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001373678915 897096620 /nfs/dbraw/zinc/09/66/20/897096620.db2.gz GWEDKSQMMADOCN-NSHDSACASA-N 2 2 282.388 -0.654 20 0 CBADLP COC[C@H](O)C[N@@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001373695469 897099008 /nfs/dbraw/zinc/09/90/08/897099008.db2.gz KCPPAXGNMQRYGH-QWHCGFSZSA-N 2 2 296.371 -0.577 20 0 CBADLP COC[C@H](O)C[N@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001373695469 897099019 /nfs/dbraw/zinc/09/90/19/897099019.db2.gz KCPPAXGNMQRYGH-QWHCGFSZSA-N 2 2 296.371 -0.577 20 0 CBADLP CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001373690412 897100500 /nfs/dbraw/zinc/10/05/00/897100500.db2.gz UKBNFUFPDDCDOD-ZDUSSCGKSA-N 2 2 296.415 -0.249 20 0 CBADLP CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001373690412 897100510 /nfs/dbraw/zinc/10/05/10/897100510.db2.gz UKBNFUFPDDCDOD-ZDUSSCGKSA-N 2 2 296.415 -0.249 20 0 CBADLP C[C@H](CNC(=O)CCc1c[nH]c[nH+]1)C[NH2+][C@@H]1CCNC1=O ZINC001374032930 897157024 /nfs/dbraw/zinc/15/70/24/897157024.db2.gz VCIVJSMCYPFGJB-CMPLNLGQSA-N 2 2 293.371 -0.427 20 0 CBADLP C[C@H](CNC(=O)CCc1c[nH+]c[nH]1)C[NH2+][C@@H]1CCNC1=O ZINC001374032930 897157034 /nfs/dbraw/zinc/15/70/34/897157034.db2.gz VCIVJSMCYPFGJB-CMPLNLGQSA-N 2 2 293.371 -0.427 20 0 CBADLP C[C@H](C[NH2+][C@H]1CCCNC1=O)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001374302996 897207266 /nfs/dbraw/zinc/20/72/66/897207266.db2.gz NOCVYSRTAFERIM-MNOVXSKESA-N 2 2 293.371 -0.333 20 0 CBADLP C[C@H](C[NH2+][C@H]1CCN(C)C1=O)N(C)C(=O)Cn1cc[nH+]c1 ZINC001374330418 897218444 /nfs/dbraw/zinc/21/84/44/897218444.db2.gz MTYAAKWOUURUKM-NEPJUHHUSA-N 2 2 293.371 -0.450 20 0 CBADLP CCC(=O)N1CC[NH+](CCN(C)C(=O)CC[NH+](C)C)CC1 ZINC001374445670 897229131 /nfs/dbraw/zinc/22/91/31/897229131.db2.gz CUIYNXPZUMIERX-UHFFFAOYSA-N 2 2 298.431 -0.049 20 0 CBADLP CNC(=O)C[N@H+](C)CCN(C)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001374536220 897256476 /nfs/dbraw/zinc/25/64/76/897256476.db2.gz JYBOPPMYMVOOME-LBPRGKRZSA-N 2 2 284.404 -0.536 20 0 CBADLP CNC(=O)C[N@@H+](C)CCN(C)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001374536220 897256491 /nfs/dbraw/zinc/25/64/91/897256491.db2.gz JYBOPPMYMVOOME-LBPRGKRZSA-N 2 2 284.404 -0.536 20 0 CBADLP CNC(=O)C[NH+](C)CCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001374536220 897256505 /nfs/dbraw/zinc/25/65/05/897256505.db2.gz JYBOPPMYMVOOME-LBPRGKRZSA-N 2 2 284.404 -0.536 20 0 CBADLP CNC(=O)C[NH+](C)CCN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001374536220 897256522 /nfs/dbraw/zinc/25/65/22/897256522.db2.gz JYBOPPMYMVOOME-LBPRGKRZSA-N 2 2 284.404 -0.536 20 0 CBADLP NC(=O)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001374571775 897269485 /nfs/dbraw/zinc/26/94/85/897269485.db2.gz KUOJUHWUIYHFOU-VHSXEESVSA-N 2 2 279.344 -0.688 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]Cc1ncccn1 ZINC001374634359 897320951 /nfs/dbraw/zinc/32/09/51/897320951.db2.gz RRCYNWWOZSCPCG-VXGBXAGGSA-N 2 2 293.371 -0.863 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]Cc1ncccn1 ZINC001374634359 897320966 /nfs/dbraw/zinc/32/09/66/897320966.db2.gz RRCYNWWOZSCPCG-VXGBXAGGSA-N 2 2 293.371 -0.863 20 0 CBADLP C[NH+](C)CCC(=O)NC[C@@H](O)C[NH2+]Cc1cnsn1 ZINC001374643528 897326886 /nfs/dbraw/zinc/32/68/86/897326886.db2.gz QMYMFEYUDOXIBG-JTQLQIEISA-N 2 2 287.389 -0.944 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H](O)C[NH2+]C[C@@H]1CCCCO1 ZINC001374656737 897330929 /nfs/dbraw/zinc/33/09/29/897330929.db2.gz HYNYIKIUEACQNK-NEPJUHHUSA-N 2 2 296.371 -0.412 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@H](O)C[NH2+]C[C@H]1CCCCO1 ZINC001374677353 897343195 /nfs/dbraw/zinc/34/31/95/897343195.db2.gz OXOJOOLPEKHOCL-CHWSQXEVSA-N 2 2 296.371 -0.481 20 0 CBADLP C[C@@H](CC[NH2+][C@@H](C)C(N)=O)NC(=O)CCc1c[nH+]cn1C ZINC001374708197 897351937 /nfs/dbraw/zinc/35/19/37/897351937.db2.gz MCLIJUAGDPAVLF-QWRGUYRKSA-N 2 2 295.387 -0.289 20 0 CBADLP CCN(CC[NH2+][C@H]1CCNC1=O)C(=O)Cc1c[nH+]c[nH]1 ZINC001374749834 897372829 /nfs/dbraw/zinc/37/28/29/897372829.db2.gz IDZBTDISRFZABE-NSHDSACASA-N 2 2 279.344 -0.721 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001374779975 897385641 /nfs/dbraw/zinc/38/56/41/897385641.db2.gz CAQWJHYCKLWEIY-MNOVXSKESA-N 2 2 293.371 -0.714 20 0 CBADLP COC[C@H](O)C[NH2+]C[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001374953163 897443129 /nfs/dbraw/zinc/44/31/29/897443129.db2.gz MKWQBAOBZUWLHB-VHSXEESVSA-N 2 2 270.333 -0.946 20 0 CBADLP CCC[N@H+](C)CC(=O)NC[C@H]1CC[NH+]1[C@H](C)C(=O)NC ZINC001375365064 897522189 /nfs/dbraw/zinc/52/21/89/897522189.db2.gz GMBVEZSYFFNMPC-VXGBXAGGSA-N 2 2 284.404 -0.347 20 0 CBADLP CCC[N@@H+](C)CC(=O)NC[C@H]1CC[NH+]1[C@H](C)C(=O)NC ZINC001375365064 897522204 /nfs/dbraw/zinc/52/22/04/897522204.db2.gz GMBVEZSYFFNMPC-VXGBXAGGSA-N 2 2 284.404 -0.347 20 0 CBADLP CCC[NH+](C)CC(=O)NC[C@H]1CC[N@@H+]1[C@H](C)C(=O)NC ZINC001375365064 897522213 /nfs/dbraw/zinc/52/22/13/897522213.db2.gz GMBVEZSYFFNMPC-VXGBXAGGSA-N 2 2 284.404 -0.347 20 0 CBADLP CCC[NH+](C)CC(=O)NC[C@H]1CC[N@H+]1[C@H](C)C(=O)NC ZINC001375365064 897522225 /nfs/dbraw/zinc/52/22/25/897522225.db2.gz GMBVEZSYFFNMPC-VXGBXAGGSA-N 2 2 284.404 -0.347 20 0 CBADLP COCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001375374998 897531762 /nfs/dbraw/zinc/53/17/62/897531762.db2.gz VJCRSCCYJDWZGE-KBPBESRZSA-N 2 2 299.415 -0.208 20 0 CBADLP COCC[N@H+]1CC[C@H]1CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001375374998 897531763 /nfs/dbraw/zinc/53/17/63/897531763.db2.gz VJCRSCCYJDWZGE-KBPBESRZSA-N 2 2 299.415 -0.208 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@@H]1CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001375459838 897546996 /nfs/dbraw/zinc/54/69/96/897546996.db2.gz RGIJOFZBCFUMBC-NWDGAFQWSA-N 2 2 296.415 -0.265 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CC[C@@H]1CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001375459838 897547005 /nfs/dbraw/zinc/54/70/05/897547005.db2.gz RGIJOFZBCFUMBC-NWDGAFQWSA-N 2 2 296.415 -0.265 20 0 CBADLP CN(C)C(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CCC[NH+](C)C ZINC001375462477 897548445 /nfs/dbraw/zinc/54/84/45/897548445.db2.gz XOCNKTMFFOUIIC-CYBMUJFWSA-N 2 2 298.431 -0.051 20 0 CBADLP CN(C)C(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CCC[NH+](C)C ZINC001375462477 897548451 /nfs/dbraw/zinc/54/84/51/897548451.db2.gz XOCNKTMFFOUIIC-CYBMUJFWSA-N 2 2 298.431 -0.051 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)C[NH+](C)C(C)C ZINC001375479827 897553921 /nfs/dbraw/zinc/55/39/21/897553921.db2.gz SWGGRTVCJFGJQA-LBPRGKRZSA-N 2 2 284.404 -0.395 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)C[NH+](C)C(C)C ZINC001375479827 897553933 /nfs/dbraw/zinc/55/39/33/897553933.db2.gz SWGGRTVCJFGJQA-LBPRGKRZSA-N 2 2 284.404 -0.395 20 0 CBADLP CNC(=O)C[NH+]1CC[C@H]1CN(C)C(=O)C[N@H+](C)C(C)C ZINC001375479827 897553943 /nfs/dbraw/zinc/55/39/43/897553943.db2.gz SWGGRTVCJFGJQA-LBPRGKRZSA-N 2 2 284.404 -0.395 20 0 CBADLP CNC(=O)C[NH+]1CC[C@H]1CN(C)C(=O)C[N@@H+](C)C(C)C ZINC001375479827 897553958 /nfs/dbraw/zinc/55/39/58/897553958.db2.gz SWGGRTVCJFGJQA-LBPRGKRZSA-N 2 2 284.404 -0.395 20 0 CBADLP C[C@H](CC(=O)NCC1([NH2+][C@H](C)C(N)=O)CC1)n1cc[nH+]c1 ZINC001375490287 897557300 /nfs/dbraw/zinc/55/73/00/897557300.db2.gz MNQLNWTYGMERHP-GHMZBOCLSA-N 2 2 293.371 -0.054 20 0 CBADLP CC[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)Cn2cc[nH+]c2)C1)C(N)=O ZINC001375512519 897560427 /nfs/dbraw/zinc/56/04/27/897560427.db2.gz REGMWBMGDUGVLS-TUAOUCFPSA-N 2 2 293.371 -0.369 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001375548057 897561998 /nfs/dbraw/zinc/56/19/98/897561998.db2.gz BQXSYPVORRWPGY-DCAQKATOSA-N 2 2 293.371 -0.429 20 0 CBADLP CN(C(=O)C(C)(C)C[NH+]1CCOCC1)C1C[NH+](CCO)C1 ZINC001375687445 897592007 /nfs/dbraw/zinc/59/20/07/897592007.db2.gz QYUYORPVSLLBBQ-UHFFFAOYSA-N 2 2 299.415 -0.520 20 0 CBADLP C[C@@]1(NC(=O)C[NH+]2CCCC2)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001375853388 897614127 /nfs/dbraw/zinc/61/41/27/897614127.db2.gz BPJMCDYLPKAJFL-SWLSCSKDSA-N 2 2 294.399 -0.449 20 0 CBADLP C[C@@]1(NC(=O)C[NH+]2CCCC2)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001375853388 897614132 /nfs/dbraw/zinc/61/41/32/897614132.db2.gz BPJMCDYLPKAJFL-SWLSCSKDSA-N 2 2 294.399 -0.449 20 0 CBADLP C[C@@]1(NC(=O)Cn2cc[nH+]c2)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001375856841 897617180 /nfs/dbraw/zinc/61/71/80/897617180.db2.gz OUYJTTZLQHYQLO-BXUZGUMPSA-N 2 2 291.355 -0.648 20 0 CBADLP C[C@@]1(NC(=O)Cn2cc[nH+]c2)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001375856841 897617186 /nfs/dbraw/zinc/61/71/86/897617186.db2.gz OUYJTTZLQHYQLO-BXUZGUMPSA-N 2 2 291.355 -0.648 20 0 CBADLP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+](CC(N)=O)C1 ZINC001376080753 897649286 /nfs/dbraw/zinc/64/92/86/897649286.db2.gz ZTENSASCDOXIDR-LLVKDONJSA-N 2 2 270.377 -0.606 20 0 CBADLP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[NH+](CC(N)=O)C1 ZINC001376080753 897649291 /nfs/dbraw/zinc/64/92/91/897649291.db2.gz ZTENSASCDOXIDR-LLVKDONJSA-N 2 2 270.377 -0.606 20 0 CBADLP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001376080753 897649303 /nfs/dbraw/zinc/64/93/03/897649303.db2.gz ZTENSASCDOXIDR-LLVKDONJSA-N 2 2 270.377 -0.606 20 0 CBADLP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001376080753 897649306 /nfs/dbraw/zinc/64/93/06/897649306.db2.gz ZTENSASCDOXIDR-LLVKDONJSA-N 2 2 270.377 -0.606 20 0 CBADLP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC(=O)NC2CC2)C1 ZINC001376157337 897674811 /nfs/dbraw/zinc/67/48/11/897674811.db2.gz XZVIHPXXVKFQAS-ZDUSSCGKSA-N 2 2 296.415 -0.203 20 0 CBADLP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CC(=O)NC2CC2)C1 ZINC001376157337 897674819 /nfs/dbraw/zinc/67/48/19/897674819.db2.gz XZVIHPXXVKFQAS-ZDUSSCGKSA-N 2 2 296.415 -0.203 20 0 CBADLP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001376157337 897674839 /nfs/dbraw/zinc/67/48/39/897674839.db2.gz XZVIHPXXVKFQAS-ZDUSSCGKSA-N 2 2 296.415 -0.203 20 0 CBADLP NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001376169948 897680490 /nfs/dbraw/zinc/68/04/90/897680490.db2.gz YPTMANCGINFKJP-CYBMUJFWSA-N 2 2 296.415 -0.072 20 0 CBADLP NC(=O)C[N@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001376169948 897680497 /nfs/dbraw/zinc/68/04/97/897680497.db2.gz YPTMANCGINFKJP-CYBMUJFWSA-N 2 2 296.415 -0.072 20 0 CBADLP C[C@H]([NH2+][C@@H](CNC(=O)CCc1c[nH]c[nH+]1)C1CC1)C(N)=O ZINC001376209903 897690240 /nfs/dbraw/zinc/69/02/40/897690240.db2.gz CZOOQGRLEIHMFG-CABZTGNLSA-N 2 2 293.371 -0.300 20 0 CBADLP C[C@H]([NH2+][C@@H](CNC(=O)CCc1c[nH+]c[nH]1)C1CC1)C(N)=O ZINC001376209903 897690244 /nfs/dbraw/zinc/69/02/44/897690244.db2.gz CZOOQGRLEIHMFG-CABZTGNLSA-N 2 2 293.371 -0.300 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@H](CNC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001376247782 897698888 /nfs/dbraw/zinc/69/88/88/897698888.db2.gz XBYSOSMTDAFPOJ-BXKDBHETSA-N 2 2 293.371 -0.429 20 0 CBADLP C[N@@H+]1CC[C@@H](CC(=O)NCC2(O)C[NH+](CCCF)C2)C1 ZINC001376276808 897701617 /nfs/dbraw/zinc/70/16/17/897701617.db2.gz PUWAZTSSABFSNC-LBPRGKRZSA-N 2 2 287.379 -0.149 20 0 CBADLP C[N@H+]1CC[C@@H](CC(=O)NCC2(O)C[NH+](CCCF)C2)C1 ZINC001376276808 897701629 /nfs/dbraw/zinc/70/16/29/897701629.db2.gz PUWAZTSSABFSNC-LBPRGKRZSA-N 2 2 287.379 -0.149 20 0 CBADLP COC[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001376399906 897726782 /nfs/dbraw/zinc/72/67/82/897726782.db2.gz KXYPXSCTLIVMQH-CKYFFXLPSA-N 2 2 282.344 -0.804 20 0 CBADLP CC[N@@H+]1CCC[C@](CO)(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001376458081 897741569 /nfs/dbraw/zinc/74/15/69/897741569.db2.gz UGRHCFMBVUXYJK-JSGCOSHPSA-N 2 2 285.388 -0.720 20 0 CBADLP CC[N@H+]1CCC[C@](CO)(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001376458081 897741574 /nfs/dbraw/zinc/74/15/74/897741574.db2.gz UGRHCFMBVUXYJK-JSGCOSHPSA-N 2 2 285.388 -0.720 20 0 CBADLP CC[NH+]1CCC[C@](CO)(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001376458081 897741578 /nfs/dbraw/zinc/74/15/78/897741578.db2.gz UGRHCFMBVUXYJK-JSGCOSHPSA-N 2 2 285.388 -0.720 20 0 CBADLP CC[NH+]1CCC[C@](CO)(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001376458081 897741584 /nfs/dbraw/zinc/74/15/84/897741584.db2.gz UGRHCFMBVUXYJK-JSGCOSHPSA-N 2 2 285.388 -0.720 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001376494999 897760418 /nfs/dbraw/zinc/76/04/18/897760418.db2.gz RDLFZQJNMSLYFF-MXWKQRLJSA-N 2 2 293.371 -0.368 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001376562151 897776197 /nfs/dbraw/zinc/77/61/97/897776197.db2.gz WDBAMEQEBURJDJ-NSHDSACASA-N 2 2 293.371 -0.426 20 0 CBADLP NC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001376687479 897802832 /nfs/dbraw/zinc/80/28/32/897802832.db2.gz TWYVLBFHSLWUDN-GFCCVEGCSA-N 2 2 293.371 -0.271 20 0 CBADLP CNC(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001376753207 897835651 /nfs/dbraw/zinc/83/56/51/897835651.db2.gz GWMYNMQFUXBWFQ-MNOVXSKESA-N 2 2 293.371 -0.714 20 0 CBADLP C[C@H](CNC(=O)CCn1cc[nH+]c1)[NH2+][C@@H]1CCCNC1=O ZINC001376777709 897842945 /nfs/dbraw/zinc/84/29/45/897842945.db2.gz NUQROQLQQPMQFM-VXGBXAGGSA-N 2 2 293.371 -0.354 20 0 CBADLP CCN(CC)C(=O)C[NH2+][C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001376889011 897883509 /nfs/dbraw/zinc/88/35/09/897883509.db2.gz SWPQJNQPVIAFAQ-GFCCVEGCSA-N 2 2 295.387 -0.154 20 0 CBADLP CC[C@H](C(=O)NCC[C@H](C)[NH2+]Cc1nnn(C)n1)[NH+](C)C ZINC001377045850 897917808 /nfs/dbraw/zinc/91/78/08/897917808.db2.gz GMDPRYQRQYFTHR-WDEREUQCSA-N 2 2 297.407 -0.465 20 0 CBADLP C[C@@H](CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)[NH2+]CC(N)=O ZINC001377047687 897918401 /nfs/dbraw/zinc/91/84/01/897918401.db2.gz KTGNPKKRDYIGFD-WDEREUQCSA-N 2 2 293.371 -0.585 20 0 CBADLP COC[C@H](C)[NH+]1CC2(C1)C[C@H](NC(=O)CC[NH+](C)C)CO2 ZINC001377070336 897925865 /nfs/dbraw/zinc/92/58/65/897925865.db2.gz AOQMQIIMGUIMLC-STQMWFEESA-N 2 2 299.415 -0.068 20 0 CBADLP COC[C@@H](O)C[N@@H+]1CC[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001377455633 898052482 /nfs/dbraw/zinc/05/24/82/898052482.db2.gz BTKWITWMNKQFOX-AAEUAGOBSA-N 2 2 296.371 -0.602 20 0 CBADLP COC[C@@H](O)C[N@H+]1CC[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001377455633 898052494 /nfs/dbraw/zinc/05/24/94/898052494.db2.gz BTKWITWMNKQFOX-AAEUAGOBSA-N 2 2 296.371 -0.602 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[C@H](C)[NH2+]CC(N)=O ZINC001377496167 898068184 /nfs/dbraw/zinc/06/81/84/898068184.db2.gz QIACQHUMUKSOHB-ZJUUUORDSA-N 2 2 281.360 -0.442 20 0 CBADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[C@H](C)[NH2+]CC(N)=O ZINC001377496167 898068193 /nfs/dbraw/zinc/06/81/93/898068193.db2.gz QIACQHUMUKSOHB-ZJUUUORDSA-N 2 2 281.360 -0.442 20 0 CBADLP CCC[N@H+](CCNC(=O)Cn1cc[nH+]c1C)[C@H](C)C(N)=O ZINC001377512684 898069507 /nfs/dbraw/zinc/06/95/07/898069507.db2.gz YPANQFHLCVQEKJ-LLVKDONJSA-N 2 2 295.387 -0.106 20 0 CBADLP CCC[N@@H+](CCNC(=O)Cn1cc[nH+]c1C)[C@H](C)C(N)=O ZINC001377512684 898069513 /nfs/dbraw/zinc/06/95/13/898069513.db2.gz YPANQFHLCVQEKJ-LLVKDONJSA-N 2 2 295.387 -0.106 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NCC[NH+](CC(=O)N(C)C)C1CC1 ZINC001377571358 898088854 /nfs/dbraw/zinc/08/88/54/898088854.db2.gz SPEYPGAKUIBFSC-UHFFFAOYSA-N 2 2 298.431 -0.005 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NCC[NH+](CC(=O)N(C)C)C1CC1 ZINC001377571358 898088860 /nfs/dbraw/zinc/08/88/60/898088860.db2.gz SPEYPGAKUIBFSC-UHFFFAOYSA-N 2 2 298.431 -0.005 20 0 CBADLP CC(C)[NH+](C)CC(=O)NCC[N@H+](CC(=O)N(C)C)C1CC1 ZINC001377571358 898088866 /nfs/dbraw/zinc/08/88/66/898088866.db2.gz SPEYPGAKUIBFSC-UHFFFAOYSA-N 2 2 298.431 -0.005 20 0 CBADLP CC(C)[NH+](C)CC(=O)NCC[N@@H+](CC(=O)N(C)C)C1CC1 ZINC001377571358 898088871 /nfs/dbraw/zinc/08/88/71/898088871.db2.gz SPEYPGAKUIBFSC-UHFFFAOYSA-N 2 2 298.431 -0.005 20 0 CBADLP O=C(Cn1cc[nH+]c1)NCC[N@H+](C1CC1)[C@@H]1CCNC1=O ZINC001377574363 898088909 /nfs/dbraw/zinc/08/89/09/898088909.db2.gz PWMAYXCIAOZMOR-GFCCVEGCSA-N 2 2 291.355 -0.648 20 0 CBADLP O=C(Cn1cc[nH+]c1)NCC[N@@H+](C1CC1)[C@@H]1CCNC1=O ZINC001377574363 898088915 /nfs/dbraw/zinc/08/89/15/898088915.db2.gz PWMAYXCIAOZMOR-GFCCVEGCSA-N 2 2 291.355 -0.648 20 0 CBADLP CCN1CC[C@H]([NH2+]CCN(C)C(=O)Cn2cc[nH+]c2)C1=O ZINC001377599199 898101474 /nfs/dbraw/zinc/10/14/74/898101474.db2.gz FNLXSTLCIHKFPQ-LBPRGKRZSA-N 2 2 293.371 -0.448 20 0 CBADLP CC(C)NC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001377855646 898146259 /nfs/dbraw/zinc/14/62/59/898146259.db2.gz GHCJRDISFBIJQA-MNOVXSKESA-N 2 2 295.387 -0.040 20 0 CBADLP CC[N@H+](C)CCC(=O)NCC1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001378009380 898195657 /nfs/dbraw/zinc/19/56/57/898195657.db2.gz ZUPFETFBVUJUMN-GFCCVEGCSA-N 2 2 282.388 -0.735 20 0 CBADLP CC[N@@H+](C)CCC(=O)NCC1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001378009380 898195663 /nfs/dbraw/zinc/19/56/63/898195663.db2.gz ZUPFETFBVUJUMN-GFCCVEGCSA-N 2 2 282.388 -0.735 20 0 CBADLP CC(C)[C@H](C(=O)NCC1C[NH+]([C@@H](C)C(N)=O)C1)[NH+](C)C ZINC001378012343 898198037 /nfs/dbraw/zinc/19/80/37/898198037.db2.gz VIYVQQITNPBGQF-CMPLNLGQSA-N 2 2 284.404 -0.506 20 0 CBADLP CCC[N@H+](C)CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2[C@H](CC)C(N)=O ZINC001378047832 898214644 /nfs/dbraw/zinc/21/46/44/898214644.db2.gz XCOUCVBRLXGUEC-RWMBFGLXSA-N 2 2 296.415 -0.123 20 0 CBADLP CCC[N@@H+](C)CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2[C@H](CC)C(N)=O ZINC001378047832 898214659 /nfs/dbraw/zinc/21/46/59/898214659.db2.gz XCOUCVBRLXGUEC-RWMBFGLXSA-N 2 2 296.415 -0.123 20 0 CBADLP CCC[NH+](C)CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H](CC)C(N)=O ZINC001378047832 898214676 /nfs/dbraw/zinc/21/46/76/898214676.db2.gz XCOUCVBRLXGUEC-RWMBFGLXSA-N 2 2 296.415 -0.123 20 0 CBADLP CCC[NH+](C)CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H](CC)C(N)=O ZINC001378047832 898214692 /nfs/dbraw/zinc/21/46/92/898214692.db2.gz XCOUCVBRLXGUEC-RWMBFGLXSA-N 2 2 296.415 -0.123 20 0 CBADLP CC[C@H](C(=O)N[C@H]1CC[N@H+](CC(N)=O)C1)[NH+](CC)CC ZINC001378071891 898221772 /nfs/dbraw/zinc/22/17/72/898221772.db2.gz CQOKQMLHZLFGJA-NWDGAFQWSA-N 2 2 284.404 -0.217 20 0 CBADLP CC[C@H](C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1)[NH+](CC)CC ZINC001378071891 898221792 /nfs/dbraw/zinc/22/17/92/898221792.db2.gz CQOKQMLHZLFGJA-NWDGAFQWSA-N 2 2 284.404 -0.217 20 0 CBADLP CCNC(=O)C[NH2+][C@H](CC)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001378293879 898302521 /nfs/dbraw/zinc/30/25/21/898302521.db2.gz MARAHHHVJYNSRS-SNVBAGLBSA-N 2 2 281.360 -0.427 20 0 CBADLP CC[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@@H]1CCNC1=O ZINC001378306485 898308617 /nfs/dbraw/zinc/30/86/17/898308617.db2.gz BZAWRKKTFRTJKJ-NXEZZACHSA-N 2 2 279.344 -0.675 20 0 CBADLP CC[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@H]1CCNC1=O ZINC001378306492 898310062 /nfs/dbraw/zinc/31/00/62/898310062.db2.gz BZAWRKKTFRTJKJ-ZJUUUORDSA-N 2 2 279.344 -0.675 20 0 CBADLP C[C@@H](O)C[NH+]1CC(CCO)(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001378332643 898317185 /nfs/dbraw/zinc/31/71/85/898317185.db2.gz FRHRFINEYHKGGP-GFCCVEGCSA-N 2 2 299.415 -0.738 20 0 CBADLP CC[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+][C@@H](CC)C(N)=O ZINC001378345846 898319036 /nfs/dbraw/zinc/31/90/36/898319036.db2.gz PSYXPOWXWAFKLX-MNOVXSKESA-N 2 2 281.360 -0.369 20 0 CBADLP CC[C@@H]([NH2+][C@@H](CC)CNC(=O)Cn1cc[nH+]c1)C(N)=O ZINC001378345848 898321747 /nfs/dbraw/zinc/32/17/47/898321747.db2.gz PSYXPOWXWAFKLX-WDEREUQCSA-N 2 2 281.360 -0.369 20 0 CBADLP NC(=O)C[NH2+]CC1(NC(=O)Cc2c[nH]c[nH+]2)CCCC1 ZINC001378364713 898324020 /nfs/dbraw/zinc/32/40/20/898324020.db2.gz LNQIQMMKVSGGFZ-UHFFFAOYSA-N 2 2 279.344 -0.544 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NC1(CCO)C[NH+](C[C@@H](C)O)C1 ZINC001378359750 898324359 /nfs/dbraw/zinc/32/43/59/898324359.db2.gz ACDWQXRCCRZUNE-GFCCVEGCSA-N 2 2 287.404 -0.740 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NC1(CCO)C[NH+](C[C@@H](C)O)C1 ZINC001378359750 898324367 /nfs/dbraw/zinc/32/43/67/898324367.db2.gz ACDWQXRCCRZUNE-GFCCVEGCSA-N 2 2 287.404 -0.740 20 0 CBADLP CCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001378596387 898362198 /nfs/dbraw/zinc/36/21/98/898362198.db2.gz YVDYDHWRVVMQDZ-VXGBXAGGSA-N 2 2 296.415 -0.489 20 0 CBADLP CCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001378596387 898362210 /nfs/dbraw/zinc/36/22/10/898362210.db2.gz YVDYDHWRVVMQDZ-VXGBXAGGSA-N 2 2 296.415 -0.489 20 0 CBADLP CC(C)[C@@H](C(=O)NC[C@H]1C[N@H+](CCO)CCO1)[NH+](C)C ZINC001378657469 898380988 /nfs/dbraw/zinc/38/09/88/898380988.db2.gz AUKUUEWLNOMZJN-STQMWFEESA-N 2 2 287.404 -0.618 20 0 CBADLP CC(C)[C@@H](C(=O)NC[C@H]1C[N@@H+](CCO)CCO1)[NH+](C)C ZINC001378657469 898381000 /nfs/dbraw/zinc/38/10/00/898381000.db2.gz AUKUUEWLNOMZJN-STQMWFEESA-N 2 2 287.404 -0.618 20 0 CBADLP C[C@H](O)C[N@@H+]1CCO[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001378652685 898383247 /nfs/dbraw/zinc/38/32/47/898383247.db2.gz MOMFFGIKPRTRDV-QWHCGFSZSA-N 2 2 299.415 -0.332 20 0 CBADLP C[C@H](O)C[N@H+]1CCO[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001378652685 898383257 /nfs/dbraw/zinc/38/32/57/898383257.db2.gz MOMFFGIKPRTRDV-QWHCGFSZSA-N 2 2 299.415 -0.332 20 0 CBADLP C[NH+](C)CCCC(=O)N1CCC2(C[NH+](CC(N)=O)C2)CC1 ZINC001378727852 898394837 /nfs/dbraw/zinc/39/48/37/898394837.db2.gz ZIYYSPOJXWSABT-UHFFFAOYSA-N 2 2 296.415 -0.262 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@@H](C)C[NH2+][C@H](C)C(N)=O ZINC001378851360 898422316 /nfs/dbraw/zinc/42/23/16/898422316.db2.gz WBKWHNRJWOLTJP-WCBMZHEXSA-N 2 2 281.360 -0.429 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@H](C)C[NH2+][C@@H](C)C(N)=O ZINC001378851357 898422600 /nfs/dbraw/zinc/42/26/00/898422600.db2.gz WBKWHNRJWOLTJP-SCZZXKLOSA-N 2 2 281.360 -0.429 20 0 CBADLP COC[C@@H](O)C[NH2+]C[C@H](C)N(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001378852699 898423430 /nfs/dbraw/zinc/42/34/30/898423430.db2.gz XFPAJYDHUCBOMH-JQWIXIFHSA-N 2 2 298.387 -0.296 20 0 CBADLP CNC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C ZINC001378894729 898429791 /nfs/dbraw/zinc/42/97/91/898429791.db2.gz GMKUHCBQDMJMPB-JQWIXIFHSA-N 2 2 293.371 -0.475 20 0 CBADLP CN(CC[N@H+](C)CC(=O)NC1CC1)C(=O)CC[NH+](C)C ZINC001379094819 898466991 /nfs/dbraw/zinc/46/69/91/898466991.db2.gz MICQKMSBYGFSMD-UHFFFAOYSA-N 2 2 284.404 -0.393 20 0 CBADLP CN(CC[N@@H+](C)CC(=O)NC1CC1)C(=O)CC[NH+](C)C ZINC001379094819 898466997 /nfs/dbraw/zinc/46/69/97/898466997.db2.gz MICQKMSBYGFSMD-UHFFFAOYSA-N 2 2 284.404 -0.393 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1cnsn1 ZINC001379221005 898512862 /nfs/dbraw/zinc/51/28/62/898512862.db2.gz GISMYYYNJRCFQP-WDEREUQCSA-N 2 2 299.400 -0.801 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1cnsn1 ZINC001379221005 898512872 /nfs/dbraw/zinc/51/28/72/898512872.db2.gz GISMYYYNJRCFQP-WDEREUQCSA-N 2 2 299.400 -0.801 20 0 CBADLP CC[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1nnc(C)o1)[NH+](C)C ZINC001379258981 898527372 /nfs/dbraw/zinc/52/73/72/898527372.db2.gz NJXQFOKEPLOZNO-GHMZBOCLSA-N 2 2 299.375 -0.715 20 0 CBADLP COC[C@@H](O)C[NH2+][C@H](C)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001379276143 898531714 /nfs/dbraw/zinc/53/17/14/898531714.db2.gz LGRUURIPMZOHBV-YPMHNXCESA-N 2 2 298.387 -0.594 20 0 CBADLP O=C(C[NH+]1CCCC1)NC[C@H](O)C[NH2+]Cc1nncs1 ZINC001379290584 898539711 /nfs/dbraw/zinc/53/97/11/898539711.db2.gz RFOYBMHDTHKLFJ-SNVBAGLBSA-N 2 2 299.400 -0.799 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]Cc1ccon1 ZINC001379373957 898588192 /nfs/dbraw/zinc/58/81/92/898588192.db2.gz QSDLCJIZLAFGBO-NEPJUHHUSA-N 2 2 282.344 -0.665 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]Cc1ccon1 ZINC001379373957 898588205 /nfs/dbraw/zinc/58/82/05/898588205.db2.gz QSDLCJIZLAFGBO-NEPJUHHUSA-N 2 2 282.344 -0.665 20 0 CBADLP C[C@H](C[NH2+]CC(N)=O)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001379379512 898592908 /nfs/dbraw/zinc/59/29/08/898592908.db2.gz AEDHHUSCXWYNPE-NXEZZACHSA-N 2 2 279.344 -0.975 20 0 CBADLP CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001379405568 898603190 /nfs/dbraw/zinc/60/31/90/898603190.db2.gz RBIKUQRRDWRNFW-MCIONIFRSA-N 2 2 299.415 -0.020 20 0 CBADLP O=C(NC[C@@H](CO)[NH2+]CC1CC1)[C@H]1CCn2c[nH+]cc2C1 ZINC001379433377 898613997 /nfs/dbraw/zinc/61/39/97/898613997.db2.gz KJPKLMCADVBRRU-STQMWFEESA-N 2 2 292.383 -0.078 20 0 CBADLP CC(C)[NH2+][C@H](CO)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001379437871 898614465 /nfs/dbraw/zinc/61/44/65/898614465.db2.gz QWIOBKOEQPRZPK-RYUDHWBXSA-N 2 2 280.372 -0.079 20 0 CBADLP O=C(NC[C@H](CO)[NH2+]CC1CC1)[C@H]1CCn2c[nH+]cc2C1 ZINC001379433374 898615636 /nfs/dbraw/zinc/61/56/36/898615636.db2.gz KJPKLMCADVBRRU-QWHCGFSZSA-N 2 2 292.383 -0.078 20 0 CBADLP Cc1cc(C)c(C(=O)NC[C@@H](CO)[NH2+]CCO)c(C)[nH+]1 ZINC001379441537 898618829 /nfs/dbraw/zinc/61/88/29/898618829.db2.gz OWVWTAIOIRZBEE-LBPRGKRZSA-N 2 2 281.356 -0.321 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@H](CO)[NH2+]CC[C@@H]1CCOC1 ZINC001379485542 898636619 /nfs/dbraw/zinc/63/66/19/898636619.db2.gz UWWJDXYUTBQNNQ-YPMHNXCESA-N 2 2 296.371 -0.555 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@H](CO)[NH2+]C[C@H]1CCCCO1 ZINC001379539870 898662239 /nfs/dbraw/zinc/66/22/39/898662239.db2.gz ODAGTTTUHCUQLZ-CHWSQXEVSA-N 2 2 296.371 -0.481 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+](C)C[C@@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001379697489 898704547 /nfs/dbraw/zinc/70/45/47/898704547.db2.gz ASWMRPDKDSVHBS-PWSUYJOCSA-N 2 2 295.387 -0.108 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+](C)C[C@@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001379697489 898704554 /nfs/dbraw/zinc/70/45/54/898704554.db2.gz ASWMRPDKDSVHBS-PWSUYJOCSA-N 2 2 295.387 -0.108 20 0 CBADLP CNC(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[NH+]1C ZINC001379700825 898704728 /nfs/dbraw/zinc/70/47/28/898704728.db2.gz RSULSRUDQZMSMX-RYUDHWBXSA-N 2 2 284.404 -0.347 20 0 CBADLP CNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[NH+]1C ZINC001379700825 898704736 /nfs/dbraw/zinc/70/47/36/898704736.db2.gz RSULSRUDQZMSMX-RYUDHWBXSA-N 2 2 284.404 -0.347 20 0 CBADLP CNC(=O)C[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001379700825 898704747 /nfs/dbraw/zinc/70/47/47/898704747.db2.gz RSULSRUDQZMSMX-RYUDHWBXSA-N 2 2 284.404 -0.347 20 0 CBADLP CNC(=O)C[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001379700825 898704755 /nfs/dbraw/zinc/70/47/55/898704755.db2.gz RSULSRUDQZMSMX-RYUDHWBXSA-N 2 2 284.404 -0.347 20 0 CBADLP C[C@H]1CC[N@H+](CC(=O)N[C@H](CO)Cc2c[nH+]c[nH]2)C1 ZINC001455024200 914278121 /nfs/dbraw/zinc/27/81/21/914278121.db2.gz FMWKVSVRSKQNOL-JQWIXIFHSA-N 2 2 266.345 -0.229 20 0 CBADLP C[C@H]1CC[N@@H+](CC(=O)N[C@H](CO)Cc2c[nH+]c[nH]2)C1 ZINC001455024200 914278130 /nfs/dbraw/zinc/27/81/30/914278130.db2.gz FMWKVSVRSKQNOL-JQWIXIFHSA-N 2 2 266.345 -0.229 20 0 CBADLP CCNC(=O)C[NH2+]C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001379920731 898762896 /nfs/dbraw/zinc/76/28/96/898762896.db2.gz NKSQVRGBQWBZOJ-LLVKDONJSA-N 2 2 293.371 -0.427 20 0 CBADLP CN(C[C@@H](O)C[N@H+](C)CCO)C(=O)CCn1cc[nH+]c1 ZINC001379942124 898766948 /nfs/dbraw/zinc/76/69/48/898766948.db2.gz IXSKEDKVBPMIJB-LBPRGKRZSA-N 2 2 284.360 -0.983 20 0 CBADLP CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)CCn1cc[nH+]c1 ZINC001379942124 898766956 /nfs/dbraw/zinc/76/69/56/898766956.db2.gz IXSKEDKVBPMIJB-LBPRGKRZSA-N 2 2 284.360 -0.983 20 0 CBADLP CN1CC[C@H]([N@@H+]2CC[C@H]2CNC(=O)CC[NH+](C)C)C1=O ZINC001380013085 898787972 /nfs/dbraw/zinc/78/79/72/898787972.db2.gz LUSOTMBFCLFHCY-RYUDHWBXSA-N 2 2 282.388 -0.641 20 0 CBADLP CN1CC[C@H]([N@H+]2CC[C@H]2CNC(=O)CC[NH+](C)C)C1=O ZINC001380013085 898787977 /nfs/dbraw/zinc/78/79/77/898787977.db2.gz LUSOTMBFCLFHCY-RYUDHWBXSA-N 2 2 282.388 -0.641 20 0 CBADLP CNC(=O)C[NH2+]C1(CNC(=O)CCc2c[nH+]cn2C)CC1 ZINC001380164220 898827402 /nfs/dbraw/zinc/82/74/02/898827402.db2.gz NIXQRFQMZAFZRS-UHFFFAOYSA-N 2 2 293.371 -0.663 20 0 CBADLP O=C(Cn1cc[nH+]c1)NCC1([NH2+]CCn2cncn2)CC1 ZINC001380170304 898828461 /nfs/dbraw/zinc/82/84/61/898828461.db2.gz WIUUMXCBNLIIIQ-UHFFFAOYSA-N 2 2 289.343 -0.587 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NCC1([NH2+][C@H]2CCCNC2=O)CC1 ZINC001380171410 898828520 /nfs/dbraw/zinc/82/85/20/898828520.db2.gz JTKOGHJHEUQJIN-NSHDSACASA-N 2 2 291.355 -0.531 20 0 CBADLP COCC[NH+]1CC(N(C)C(=O)COC2CC[NH+](C)CC2)C1 ZINC001380271212 898845950 /nfs/dbraw/zinc/84/59/50/898845950.db2.gz CYOMZSBJRJWJBH-UHFFFAOYSA-N 2 2 299.415 -0.114 20 0 CBADLP C[C@H]([NH2+]C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1)C(N)=O ZINC001380300979 898853164 /nfs/dbraw/zinc/85/31/64/898853164.db2.gz LRFYAZYTJSKRSM-QWRGUYRKSA-N 2 2 279.344 -0.663 20 0 CBADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@]1(O)CC[N@H+](CCO)C1 ZINC001380555290 898899735 /nfs/dbraw/zinc/89/97/35/898899735.db2.gz UBFDVWXBUXEPRC-FZMZJTMJSA-N 2 2 296.371 -0.866 20 0 CBADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1 ZINC001380555290 898899740 /nfs/dbraw/zinc/89/97/40/898899740.db2.gz UBFDVWXBUXEPRC-FZMZJTMJSA-N 2 2 296.371 -0.866 20 0 CBADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@]1(O)CC[N@H+](CCO)C1 ZINC001380555290 898899744 /nfs/dbraw/zinc/89/97/44/898899744.db2.gz UBFDVWXBUXEPRC-FZMZJTMJSA-N 2 2 296.371 -0.866 20 0 CBADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1 ZINC001380555290 898899750 /nfs/dbraw/zinc/89/97/50/898899750.db2.gz UBFDVWXBUXEPRC-FZMZJTMJSA-N 2 2 296.371 -0.866 20 0 CBADLP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001380647376 898929643 /nfs/dbraw/zinc/92/96/43/898929643.db2.gz CYVQOVKPKXUGOS-STQMWFEESA-N 2 2 299.415 -0.596 20 0 CBADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C[NH2+]CC(N)=O ZINC001380679661 898934036 /nfs/dbraw/zinc/93/40/36/898934036.db2.gz FDMHTBBJRSNJFC-NEPJUHHUSA-N 2 2 293.371 -0.557 20 0 CBADLP NC(=O)C[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001380803927 898953278 /nfs/dbraw/zinc/95/32/78/898953278.db2.gz LXCMLVQBRZUUJK-XYPYZODXSA-N 2 2 293.371 -0.298 20 0 CBADLP CCC[N@@H+]1CCOC[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001380833872 898960944 /nfs/dbraw/zinc/96/09/44/898960944.db2.gz SYLGIVMQYOWNHF-CQSZACIVSA-N 2 2 299.415 -0.064 20 0 CBADLP CCC[N@H+]1CCOC[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001380833872 898960959 /nfs/dbraw/zinc/96/09/59/898960959.db2.gz SYLGIVMQYOWNHF-CQSZACIVSA-N 2 2 299.415 -0.064 20 0 CBADLP CNC(=O)C[NH2+][C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001381113526 898998634 /nfs/dbraw/zinc/99/86/34/898998634.db2.gz KLNZXPFBZKPORT-ZJUUUORDSA-N 2 2 279.344 -0.865 20 0 CBADLP CCNC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001381442830 899051243 /nfs/dbraw/zinc/05/12/43/899051243.db2.gz BQVODJRHHOCUQT-UWVGGRQHSA-N 2 2 295.387 -0.120 20 0 CBADLP C[C@@H]([NH2+]CC(=O)N(C)C)[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001381445814 899053733 /nfs/dbraw/zinc/05/37/33/899053733.db2.gz RKIXTQMKQFKSIC-MNOVXSKESA-N 2 2 295.387 -0.466 20 0 CBADLP CC[C@@H](C(=O)NC1(CCO)C[NH+](C[C@@H](C)O)C1)[NH+](C)C ZINC001381752779 899109885 /nfs/dbraw/zinc/10/98/85/899109885.db2.gz UGHFENFMOWKDEP-NEPJUHHUSA-N 2 2 287.404 -0.740 20 0 CBADLP CC(C)[C@H](CCN(C)C(=O)Cn1cc[nH+]c1)[NH2+]CC(N)=O ZINC001381714572 899109961 /nfs/dbraw/zinc/10/99/61/899109961.db2.gz HWOLZPRVCBUSFX-LBPRGKRZSA-N 2 2 295.387 -0.169 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@@H](C)C1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001381832293 899119615 /nfs/dbraw/zinc/11/96/15/899119615.db2.gz WMIUWDHCYLVRCB-UWVGGRQHSA-N 2 2 293.371 -0.498 20 0 CBADLP CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001382116755 899159554 /nfs/dbraw/zinc/15/95/54/899159554.db2.gz KBNCAKMRFDBMJS-JTQLQIEISA-N 2 2 281.360 -0.475 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]Cc1cscn1 ZINC001382183170 899181288 /nfs/dbraw/zinc/18/12/88/899181288.db2.gz LFELPXVJFABFIW-ZYHUDNBSSA-N 2 2 298.412 -0.196 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]Cc1cscn1 ZINC001382183170 899181298 /nfs/dbraw/zinc/18/12/98/899181298.db2.gz LFELPXVJFABFIW-ZYHUDNBSSA-N 2 2 298.412 -0.196 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H](CO)[NH2+]C[C@H]1CCCCO1 ZINC001382252789 899213979 /nfs/dbraw/zinc/21/39/79/899213979.db2.gz JNKAPUZCWZRDRC-VXGBXAGGSA-N 2 2 296.371 -0.412 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC[C@H](CO)[NH2+]C[C@H]1CCOC1 ZINC001382265413 899220363 /nfs/dbraw/zinc/22/03/63/899220363.db2.gz IRBDGAALOMXASZ-VXGBXAGGSA-N 2 2 296.371 -0.934 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC001455304498 914330701 /nfs/dbraw/zinc/33/07/01/914330701.db2.gz IXPPHRYTBZGZBS-WCQYABFASA-N 2 2 278.356 -0.370 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC001455304498 914330718 /nfs/dbraw/zinc/33/07/18/914330718.db2.gz IXPPHRYTBZGZBS-WCQYABFASA-N 2 2 278.356 -0.370 20 0 CBADLP C[C@H](NC(=O)Cn1cc[nH+]c1)C1CC[NH+](CC(N)=O)CC1 ZINC001382567243 899326727 /nfs/dbraw/zinc/32/67/27/899326727.db2.gz MSTHTRHLKMYSCG-NSHDSACASA-N 2 2 293.371 -0.415 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCCN(C)C(=O)CC[NH+](C)C ZINC001455396580 914357024 /nfs/dbraw/zinc/35/70/24/914357024.db2.gz VXZBDIOZUPZGKS-UHFFFAOYSA-N 2 2 295.387 -0.213 20 0 CBADLP C[C@H](CNC(=O)CCn1cc[nH+]c1)NC(=O)CC[NH+](C)C ZINC001386984513 899738456 /nfs/dbraw/zinc/73/84/56/899738456.db2.gz SMGATJAALAKJLS-GFCCVEGCSA-N 2 2 295.387 -0.154 20 0 CBADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)NC(=O)C[NH+]1CCCC1 ZINC001387076627 899755969 /nfs/dbraw/zinc/75/59/69/899755969.db2.gz WVZUXPIFZKBORI-NSHDSACASA-N 2 2 293.371 -0.331 20 0 CBADLP CN(CCNC(=O)Cc1c[nH]c[nH+]1)C(=O)C[NH+]1CCCC1 ZINC001387132309 899766442 /nfs/dbraw/zinc/76/64/42/899766442.db2.gz KPYPGKPWWUEFEA-UHFFFAOYSA-N 2 2 293.371 -0.377 20 0 CBADLP C[NH+](C)CCC(=O)NC1CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001387811185 899834963 /nfs/dbraw/zinc/83/49/63/899834963.db2.gz JEVZQTARRWSKTQ-UHFFFAOYSA-N 2 2 279.344 -0.769 20 0 CBADLP COC[C@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001388742893 899906539 /nfs/dbraw/zinc/90/65/39/899906539.db2.gz CJEMILDXRCCNPW-JHJVBQTASA-N 2 2 296.371 -0.625 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NC1CN(C(=O)Cn2cc[nH+]c2)C1 ZINC001389251958 899977667 /nfs/dbraw/zinc/97/76/67/899977667.db2.gz ZPJATVHOYVAJOT-UHFFFAOYSA-N 2 2 293.371 -0.450 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NC1CN(C(=O)Cn2cc[nH+]c2)C1 ZINC001389251958 899977676 /nfs/dbraw/zinc/97/76/76/899977676.db2.gz ZPJATVHOYVAJOT-UHFFFAOYSA-N 2 2 293.371 -0.450 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)N[C@H]1CCC[N@H+](CCO)C1 ZINC001389375014 900002999 /nfs/dbraw/zinc/00/29/99/900002999.db2.gz AYQLTEGBKUNVGQ-LBPRGKRZSA-N 2 2 280.372 -0.074 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)N[C@H]1CCC[N@@H+](CCO)C1 ZINC001389375014 900003002 /nfs/dbraw/zinc/00/30/02/900003002.db2.gz AYQLTEGBKUNVGQ-LBPRGKRZSA-N 2 2 280.372 -0.074 20 0 CBADLP CCCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001389488755 900026112 /nfs/dbraw/zinc/02/61/12/900026112.db2.gz PAWNOCKTJXQPCZ-LBPRGKRZSA-N 2 2 284.404 -0.345 20 0 CBADLP CCCNC(=O)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001389488755 900026119 /nfs/dbraw/zinc/02/61/19/900026119.db2.gz PAWNOCKTJXQPCZ-LBPRGKRZSA-N 2 2 284.404 -0.345 20 0 CBADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)NC(=O)CC[NH+](C)C ZINC001389500025 900030270 /nfs/dbraw/zinc/03/02/70/900030270.db2.gz HNWWMVQMMFPTED-NSHDSACASA-N 2 2 281.360 -0.544 20 0 CBADLP C[C@@H]([NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1)C(=O)N(C)C ZINC001389811920 900076592 /nfs/dbraw/zinc/07/65/92/900076592.db2.gz HAQNRNSCQOJDSH-MNOVXSKESA-N 2 2 293.371 -0.381 20 0 CBADLP CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnn(C)n2)C1)[NH+](C)C ZINC001389906960 900090112 /nfs/dbraw/zinc/09/01/12/900090112.db2.gz YVGPRKVWBRCTAH-DCAQKATOSA-N 2 2 295.391 -0.713 20 0 CBADLP O=C(CCn1cc[nH+]c1)N[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001389989138 900101945 /nfs/dbraw/zinc/10/19/45/900101945.db2.gz YRUGTSKXPYAVOQ-TUAOUCFPSA-N 2 2 291.355 -0.602 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]Cc1ccn(C)n1 ZINC001390329847 900138546 /nfs/dbraw/zinc/13/85/46/900138546.db2.gz SGASMIHTDULOTN-WCQYABFASA-N 2 2 295.387 -0.655 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]Cc1ccn(C)n1 ZINC001390329847 900138554 /nfs/dbraw/zinc/13/85/54/900138554.db2.gz SGASMIHTDULOTN-WCQYABFASA-N 2 2 295.387 -0.655 20 0 CBADLP C[C@H](CNC(=O)CCc1[nH+]ccn1C)[NH2+]CC(=O)N(C)C ZINC001390446874 900162306 /nfs/dbraw/zinc/16/23/06/900162306.db2.gz YUDLWPJHLONAOS-LLVKDONJSA-N 2 2 295.387 -0.465 20 0 CBADLP CC[C@H](C)NC(=O)C[NH2+][C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001390492880 900173070 /nfs/dbraw/zinc/17/30/70/900173070.db2.gz GJBBDNWYVIOLJI-WDEREUQCSA-N 2 2 295.387 -0.039 20 0 CBADLP CCn1nncc1C[NH2+][C@@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001390485933 900173855 /nfs/dbraw/zinc/17/38/55/900173855.db2.gz SBGPIUOVPRTVGZ-JTQLQIEISA-N 2 2 291.359 -0.142 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)[NH2+][C@H]1CCCNC1=O ZINC001390520581 900180187 /nfs/dbraw/zinc/18/01/87/900180187.db2.gz HMZBHMGODZAKRT-ONGXEEELSA-N 2 2 293.371 -0.366 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)[NH2+][C@H]1CCCNC1=O ZINC001390520575 900181779 /nfs/dbraw/zinc/18/17/79/900181779.db2.gz HMZBHMGODZAKRT-KOLCDFICSA-N 2 2 293.371 -0.366 20 0 CBADLP CCNC(=O)C[NH2+][C@@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001390525445 900183986 /nfs/dbraw/zinc/18/39/86/900183986.db2.gz PHXHMKWXWUCLLV-VIFPVBQESA-N 2 2 281.360 -0.509 20 0 CBADLP CC(C)CNC(=O)C[NH2+][C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001390548166 900185971 /nfs/dbraw/zinc/18/59/71/900185971.db2.gz YPPJXRXTGBUITR-LBPRGKRZSA-N 2 2 295.387 -0.250 20 0 CBADLP C[C@@H]([NH2+][C@@H](C)CNC(=O)Cn1cc[nH+]c1)C(=O)NC1CC1 ZINC001390540589 900186041 /nfs/dbraw/zinc/18/60/41/900186041.db2.gz GILDMNSRQQITQX-WDEREUQCSA-N 2 2 293.371 -0.356 20 0 CBADLP CN(C)C(=O)C[N@H+](C)CCNC(=O)CCC[NH+](C)C ZINC001390806297 900249150 /nfs/dbraw/zinc/24/91/50/900249150.db2.gz DAXQMLMCNSBYHL-UHFFFAOYSA-N 2 2 272.393 -0.536 20 0 CBADLP CN(C)C(=O)C[N@@H+](C)CCNC(=O)CCC[NH+](C)C ZINC001390806297 900249157 /nfs/dbraw/zinc/24/91/57/900249157.db2.gz DAXQMLMCNSBYHL-UHFFFAOYSA-N 2 2 272.393 -0.536 20 0 CBADLP CCC[N@H+](C)CC(=O)NCC[NH+](C)CC(=O)N1CCC1 ZINC001390849997 900265479 /nfs/dbraw/zinc/26/54/79/900265479.db2.gz JQUDCPSPMGBSLH-UHFFFAOYSA-N 2 2 284.404 -0.392 20 0 CBADLP CCC[N@@H+](C)CC(=O)NCC[NH+](C)CC(=O)N1CCC1 ZINC001390849997 900265485 /nfs/dbraw/zinc/26/54/85/900265485.db2.gz JQUDCPSPMGBSLH-UHFFFAOYSA-N 2 2 284.404 -0.392 20 0 CBADLP CCC[NH+](C)CC(=O)NCC[N@H+](C)CC(=O)N1CCC1 ZINC001390849997 900265494 /nfs/dbraw/zinc/26/54/94/900265494.db2.gz JQUDCPSPMGBSLH-UHFFFAOYSA-N 2 2 284.404 -0.392 20 0 CBADLP CCC[NH+](C)CC(=O)NCC[N@@H+](C)CC(=O)N1CCC1 ZINC001390849997 900265505 /nfs/dbraw/zinc/26/55/05/900265505.db2.gz JQUDCPSPMGBSLH-UHFFFAOYSA-N 2 2 284.404 -0.392 20 0 CBADLP COC[C@H](O)C[N@H+](C)CCNC(=O)Cc1c[nH+]cn1C ZINC001390844683 900269415 /nfs/dbraw/zinc/26/94/15/900269415.db2.gz MDIMTMDJLRLZPJ-GFCCVEGCSA-N 2 2 284.360 -0.982 20 0 CBADLP COC[C@H](O)C[N@@H+](C)CCNC(=O)Cc1c[nH+]cn1C ZINC001390844683 900269419 /nfs/dbraw/zinc/26/94/19/900269419.db2.gz MDIMTMDJLRLZPJ-GFCCVEGCSA-N 2 2 284.360 -0.982 20 0 CBADLP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH+](C)CC(=O)N(C)C ZINC001390861441 900274998 /nfs/dbraw/zinc/27/49/98/900274998.db2.gz GSBYIZFKIYAFTE-ZDUSSCGKSA-N 2 2 298.431 -0.003 20 0 CBADLP CC[N@H+]1CCCC[C@H]1C(=O)NCC[NH+](C)CC(=O)N(C)C ZINC001390861441 900275008 /nfs/dbraw/zinc/27/50/08/900275008.db2.gz GSBYIZFKIYAFTE-ZDUSSCGKSA-N 2 2 298.431 -0.003 20 0 CBADLP CC[NH+]1CCCC[C@H]1C(=O)NCC[N@H+](C)CC(=O)N(C)C ZINC001390861441 900275016 /nfs/dbraw/zinc/27/50/16/900275016.db2.gz GSBYIZFKIYAFTE-ZDUSSCGKSA-N 2 2 298.431 -0.003 20 0 CBADLP CC[NH+]1CCCC[C@H]1C(=O)NCC[N@@H+](C)CC(=O)N(C)C ZINC001390861441 900275025 /nfs/dbraw/zinc/27/50/25/900275025.db2.gz GSBYIZFKIYAFTE-ZDUSSCGKSA-N 2 2 298.431 -0.003 20 0 CBADLP CC[N@H+](CCNC(=O)C12CCC[NH+]1CCC2)CC(=O)NC ZINC001390942612 900284013 /nfs/dbraw/zinc/28/40/13/900284013.db2.gz MOFAGBPLPPCURB-UHFFFAOYSA-N 2 2 296.415 -0.201 20 0 CBADLP CC[N@@H+](CCNC(=O)C12CCC[NH+]1CCC2)CC(=O)NC ZINC001390942612 900284037 /nfs/dbraw/zinc/28/40/37/900284037.db2.gz MOFAGBPLPPCURB-UHFFFAOYSA-N 2 2 296.415 -0.201 20 0 CBADLP CC[N@H+](CCNC(=O)Cn1c[nH+]cc1C)[C@H](C)C(=O)NC ZINC001390935702 900284565 /nfs/dbraw/zinc/28/45/65/900284565.db2.gz FQTPXYMURCTZFG-GFCCVEGCSA-N 2 2 295.387 -0.236 20 0 CBADLP CC[N@@H+](CCNC(=O)Cn1c[nH+]cc1C)[C@H](C)C(=O)NC ZINC001390935702 900284573 /nfs/dbraw/zinc/28/45/73/900284573.db2.gz FQTPXYMURCTZFG-GFCCVEGCSA-N 2 2 295.387 -0.236 20 0 CBADLP CC[N@H+](CCNC(=O)CCn1cc[nH+]c1)[C@@H]1CCNC1=O ZINC001390968321 900288230 /nfs/dbraw/zinc/28/82/30/900288230.db2.gz PTQFGVYQAMVOKP-GFCCVEGCSA-N 2 2 293.371 -0.400 20 0 CBADLP CC[N@@H+](CCNC(=O)CCn1cc[nH+]c1)[C@@H]1CCNC1=O ZINC001390968321 900288245 /nfs/dbraw/zinc/28/82/45/900288245.db2.gz PTQFGVYQAMVOKP-GFCCVEGCSA-N 2 2 293.371 -0.400 20 0 CBADLP CCNC(=O)C[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)C1CC1 ZINC001391156695 900325386 /nfs/dbraw/zinc/32/53/86/900325386.db2.gz RUSKNBYRGFCKRX-ZDUSSCGKSA-N 2 2 296.415 -0.203 20 0 CBADLP CCNC(=O)C[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)C1CC1 ZINC001391156695 900325398 /nfs/dbraw/zinc/32/53/98/900325398.db2.gz RUSKNBYRGFCKRX-ZDUSSCGKSA-N 2 2 296.415 -0.203 20 0 CBADLP CCNC(=O)C[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001391156695 900325406 /nfs/dbraw/zinc/32/54/06/900325406.db2.gz RUSKNBYRGFCKRX-ZDUSSCGKSA-N 2 2 296.415 -0.203 20 0 CBADLP CCNC(=O)C[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001391156695 900325414 /nfs/dbraw/zinc/32/54/14/900325414.db2.gz RUSKNBYRGFCKRX-ZDUSSCGKSA-N 2 2 296.415 -0.203 20 0 CBADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC(N)=O)C1CC1 ZINC001391158008 900328370 /nfs/dbraw/zinc/32/83/70/900328370.db2.gz BNVALXCQPGESCX-ZDUSSCGKSA-N 2 2 296.415 -0.075 20 0 CBADLP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC(N)=O)C1CC1 ZINC001391158008 900328382 /nfs/dbraw/zinc/32/83/82/900328382.db2.gz BNVALXCQPGESCX-ZDUSSCGKSA-N 2 2 296.415 -0.075 20 0 CBADLP CC(C)[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC(N)=O)C1CC1 ZINC001391158008 900328397 /nfs/dbraw/zinc/32/83/97/900328397.db2.gz BNVALXCQPGESCX-ZDUSSCGKSA-N 2 2 296.415 -0.075 20 0 CBADLP CC(C)[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC(N)=O)C1CC1 ZINC001391158008 900328411 /nfs/dbraw/zinc/32/84/11/900328411.db2.gz BNVALXCQPGESCX-ZDUSSCGKSA-N 2 2 296.415 -0.075 20 0 CBADLP C[C@@H](CC(=O)N(C)CC[NH2+][C@H]1CCNC1=O)n1cc[nH+]c1 ZINC001391214506 900340398 /nfs/dbraw/zinc/34/03/98/900340398.db2.gz OZJRJHIWWAFCSE-RYUDHWBXSA-N 2 2 293.371 -0.229 20 0 CBADLP CCCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)Cn1cc[nH+]c1 ZINC001391227031 900347930 /nfs/dbraw/zinc/34/79/30/900347930.db2.gz QSDJUMCPYZHGKK-GFCCVEGCSA-N 2 2 295.387 -0.154 20 0 CBADLP COC[C@H](O)C[NH+]1CC(NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001391420988 900375039 /nfs/dbraw/zinc/37/50/39/900375039.db2.gz PFDCQYFASJZKOB-OLZOCXBDSA-N 2 2 287.404 -0.620 20 0 CBADLP CC[NH+](CC)C[C@@H](F)C(=O)NC1C[NH+](C[C@@H](C)O)C1 ZINC001391429363 900376930 /nfs/dbraw/zinc/37/69/30/900376930.db2.gz KOPMXGFIIMNIRD-ZYHUDNBSSA-N 2 2 275.368 -0.153 20 0 CBADLP CN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001391626758 900421068 /nfs/dbraw/zinc/42/10/68/900421068.db2.gz XCXYXIADEKKOFF-GFCCVEGCSA-N 2 2 298.431 -0.018 20 0 CBADLP CN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001391626758 900421076 /nfs/dbraw/zinc/42/10/76/900421076.db2.gz XCXYXIADEKKOFF-GFCCVEGCSA-N 2 2 298.431 -0.018 20 0 CBADLP CN(C(=O)C[N@H+](C)CC(C)(C)C)[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001391626758 900421081 /nfs/dbraw/zinc/42/10/81/900421081.db2.gz XCXYXIADEKKOFF-GFCCVEGCSA-N 2 2 298.431 -0.018 20 0 CBADLP CN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001391626758 900421087 /nfs/dbraw/zinc/42/10/87/900421087.db2.gz XCXYXIADEKKOFF-GFCCVEGCSA-N 2 2 298.431 -0.018 20 0 CBADLP CN(C(=O)C[NH+](C)CC(C)(C)C)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001391626767 900422839 /nfs/dbraw/zinc/42/28/39/900422839.db2.gz XCXYXIADEKKOFF-LBPRGKRZSA-N 2 2 298.431 -0.018 20 0 CBADLP CN(C(=O)C[NH+](C)CC(C)(C)C)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001391626767 900422843 /nfs/dbraw/zinc/42/28/43/900422843.db2.gz XCXYXIADEKKOFF-LBPRGKRZSA-N 2 2 298.431 -0.018 20 0 CBADLP CN(C(=O)C[N@H+](C)CC(C)(C)C)[C@H]1CC[NH+](CC(N)=O)C1 ZINC001391626767 900422846 /nfs/dbraw/zinc/42/28/46/900422846.db2.gz XCXYXIADEKKOFF-LBPRGKRZSA-N 2 2 298.431 -0.018 20 0 CBADLP CN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@H]1CC[NH+](CC(N)=O)C1 ZINC001391626767 900422850 /nfs/dbraw/zinc/42/28/50/900422850.db2.gz XCXYXIADEKKOFF-LBPRGKRZSA-N 2 2 298.431 -0.018 20 0 CBADLP CC[C@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)[NH2+]CC(N)=O ZINC001391727203 900440824 /nfs/dbraw/zinc/44/08/24/900440824.db2.gz KJKUIZVHTUOAFK-WDEREUQCSA-N 2 2 281.360 -0.196 20 0 CBADLP C[C@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)C[NH2+]CC(N)=O ZINC001391933601 900466182 /nfs/dbraw/zinc/46/61/82/900466182.db2.gz ULGXELCXPBRAKK-QWRGUYRKSA-N 2 2 281.360 -0.339 20 0 CBADLP CC(C)[C@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+][C@@H](C)C(N)=O ZINC001392237276 900536595 /nfs/dbraw/zinc/53/65/95/900536595.db2.gz XOLIPCKZJCUXIB-JQWIXIFHSA-N 2 2 295.387 -0.054 20 0 CBADLP CC(C)[C@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH2+][C@@H](C)C(N)=O ZINC001392237276 900536605 /nfs/dbraw/zinc/53/66/05/900536605.db2.gz XOLIPCKZJCUXIB-JQWIXIFHSA-N 2 2 295.387 -0.054 20 0 CBADLP CC(C)[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@H]1CCNC1=O ZINC001392248217 900538986 /nfs/dbraw/zinc/53/89/86/900538986.db2.gz PBJOFBPBRXXYDD-NWDGAFQWSA-N 2 2 293.371 -0.429 20 0 CBADLP O=C(NC[C@H](O)C[NH2+]CC1CC1)[C@H]1CCn2c[nH+]cc2C1 ZINC001392383914 900596803 /nfs/dbraw/zinc/59/68/03/900596803.db2.gz UEWCIAWJWMCNHF-GXTWGEPZSA-N 2 2 292.383 -0.078 20 0 CBADLP CC[NH2+]C[C@H](O)CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001392388951 900597081 /nfs/dbraw/zinc/59/70/81/900597081.db2.gz FVWLVVAZIGDJFF-UONOGXRCSA-N 2 2 299.415 -0.284 20 0 CBADLP CC[NH2+]C[C@H](O)CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001392388951 900597089 /nfs/dbraw/zinc/59/70/89/900597089.db2.gz FVWLVVAZIGDJFF-UONOGXRCSA-N 2 2 299.415 -0.284 20 0 CBADLP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1ccon1 ZINC001392396912 900601955 /nfs/dbraw/zinc/60/19/55/900601955.db2.gz JVKVIDRWBWFQJE-STQMWFEESA-N 2 2 296.371 -0.274 20 0 CBADLP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1ccon1 ZINC001392396912 900601960 /nfs/dbraw/zinc/60/19/60/900601960.db2.gz JVKVIDRWBWFQJE-STQMWFEESA-N 2 2 296.371 -0.274 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]Cc1ccon1 ZINC001392397952 900602054 /nfs/dbraw/zinc/60/20/54/900602054.db2.gz ZFXIQCGTPGDJHV-VXGBXAGGSA-N 2 2 282.344 -0.665 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]Cc1ccon1 ZINC001392397952 900602064 /nfs/dbraw/zinc/60/20/64/900602064.db2.gz ZFXIQCGTPGDJHV-VXGBXAGGSA-N 2 2 282.344 -0.665 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H](O)C[NH2+]C[C@H]1CCOC1 ZINC001392412007 900608451 /nfs/dbraw/zinc/60/84/51/900608451.db2.gz SJJJNEOPTUFAJN-MNOVXSKESA-N 2 2 282.344 -0.945 20 0 CBADLP Cc1cnc(C[NH2+]C[C@@H](O)CNC(=O)C[NH+]2CCCC2)o1 ZINC001392415748 900611468 /nfs/dbraw/zinc/61/14/68/900611468.db2.gz AFYLCNNDJMHYKU-GFCCVEGCSA-N 2 2 296.371 -0.354 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@@H](O)C[NH2+]Cc1ccccn1 ZINC001392419108 900612350 /nfs/dbraw/zinc/61/23/50/900612350.db2.gz ABMRAFXTIGXCPC-ZDUSSCGKSA-N 2 2 289.339 -0.455 20 0 CBADLP C[C@H](C[NH2+]CC(=O)N(C)C)NC(=O)CCn1cc[nH+]c1 ZINC001392502280 900638730 /nfs/dbraw/zinc/63/87/30/900638730.db2.gz DWOSNXFKSHIKOW-LLVKDONJSA-N 2 2 281.360 -0.544 20 0 CBADLP C[C@@H]([NH2+]C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)C1CC1)C(N)=O ZINC001392764981 900721243 /nfs/dbraw/zinc/72/12/43/900721243.db2.gz NEHIQKBCTGQPFL-BXKDBHETSA-N 2 2 293.371 -0.300 20 0 CBADLP C[C@@H]([NH2+]C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)C1CC1)C(N)=O ZINC001392764981 900721250 /nfs/dbraw/zinc/72/12/50/900721250.db2.gz NEHIQKBCTGQPFL-BXKDBHETSA-N 2 2 293.371 -0.300 20 0 CBADLP C[C@H]([NH2+]C[C@H](NC(=O)CCn1cc[nH+]c1)C1CC1)C(N)=O ZINC001392787538 900723653 /nfs/dbraw/zinc/72/36/53/900723653.db2.gz XUWYNRQPIHWGJH-JQWIXIFHSA-N 2 2 293.371 -0.369 20 0 CBADLP C[C@H]([NH2+]C[C@@H](NC(=O)Cc1c[nH+]cn1C)C1CC1)C(N)=O ZINC001392795826 900729078 /nfs/dbraw/zinc/72/90/78/900729078.db2.gz DIZFZUORVVZFAZ-JOYOIKCWSA-N 2 2 293.371 -0.679 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C[NH2+][C@@H](C)C(N)=O)C1CC1 ZINC001392809866 900732244 /nfs/dbraw/zinc/73/22/44/900732244.db2.gz VYLDDPGLTUTXSJ-CABZTGNLSA-N 2 2 293.371 -0.381 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001392881671 900747944 /nfs/dbraw/zinc/74/79/44/900747944.db2.gz WNNXXDFZLCTMCF-OLZOCXBDSA-N 2 2 296.415 -0.073 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001392881671 900747958 /nfs/dbraw/zinc/74/79/58/900747958.db2.gz WNNXXDFZLCTMCF-OLZOCXBDSA-N 2 2 296.415 -0.073 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCC1([NH2+]CC(=O)N(C)C)CC1 ZINC001392948683 900764795 /nfs/dbraw/zinc/76/47/95/900764795.db2.gz NFLSZFZXGCBVSV-UHFFFAOYSA-N 2 2 293.371 -0.413 20 0 CBADLP Cn1cnnc1C[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001392957265 900768313 /nfs/dbraw/zinc/76/83/13/900768313.db2.gz SWPNBDXISUAFHN-LLVKDONJSA-N 2 2 292.387 -0.495 20 0 CBADLP Cn1cnnc1C[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001392957265 900768322 /nfs/dbraw/zinc/76/83/22/900768322.db2.gz SWPNBDXISUAFHN-LLVKDONJSA-N 2 2 292.387 -0.495 20 0 CBADLP COC[C@@H](O)C[NH2+]C1(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001392961093 900768393 /nfs/dbraw/zinc/76/83/93/900768393.db2.gz AENJITZJBDFSTP-NSHDSACASA-N 2 2 282.344 -0.871 20 0 CBADLP CC[C@@H]([NH2+]C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1)C(N)=O ZINC001393059066 900787288 /nfs/dbraw/zinc/78/72/88/900787288.db2.gz YDNMVVKLBIUJDD-NWDGAFQWSA-N 2 2 293.371 -0.272 20 0 CBADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)NC(=O)CC[NH+](C)C ZINC001393060720 900790846 /nfs/dbraw/zinc/79/08/46/900790846.db2.gz YDOHSSGSAMZBRO-JTQLQIEISA-N 2 2 281.360 -0.475 20 0 CBADLP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@]1(O)CC[NH+](CCF)C1 ZINC001393250502 900814650 /nfs/dbraw/zinc/81/46/50/900814650.db2.gz UCEDHYUUVMMUCS-GXTWGEPZSA-N 2 2 287.379 -0.007 20 0 CBADLP C[N@H+]1CCCC[C@H]1C(=O)NC[C@]1(O)CC[NH+](CCF)C1 ZINC001393250502 900814658 /nfs/dbraw/zinc/81/46/58/900814658.db2.gz UCEDHYUUVMMUCS-GXTWGEPZSA-N 2 2 287.379 -0.007 20 0 CBADLP C[NH+]1CCCC[C@H]1C(=O)NC[C@]1(O)CC[N@H+](CCF)C1 ZINC001393250502 900814667 /nfs/dbraw/zinc/81/46/67/900814667.db2.gz UCEDHYUUVMMUCS-GXTWGEPZSA-N 2 2 287.379 -0.007 20 0 CBADLP C[NH+]1CCCC[C@H]1C(=O)NC[C@]1(O)CC[N@@H+](CCF)C1 ZINC001393250502 900814683 /nfs/dbraw/zinc/81/46/83/900814683.db2.gz UCEDHYUUVMMUCS-GXTWGEPZSA-N 2 2 287.379 -0.007 20 0 CBADLP C[C@@H](O)C[N@@H+]1CC[C@@](O)(CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001393256819 900818576 /nfs/dbraw/zinc/81/85/76/900818576.db2.gz SCFAESFCYYPHHG-BXUZGUMPSA-N 2 2 296.371 -0.724 20 0 CBADLP C[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001393256819 900818586 /nfs/dbraw/zinc/81/85/86/900818586.db2.gz SCFAESFCYYPHHG-BXUZGUMPSA-N 2 2 296.371 -0.724 20 0 CBADLP C[C@@H](O)C[N@@H+]1CC[C@@](O)(CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001393256819 900818593 /nfs/dbraw/zinc/81/85/93/900818593.db2.gz SCFAESFCYYPHHG-BXUZGUMPSA-N 2 2 296.371 -0.724 20 0 CBADLP C[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001393256819 900818600 /nfs/dbraw/zinc/81/86/00/900818600.db2.gz SCFAESFCYYPHHG-BXUZGUMPSA-N 2 2 296.371 -0.724 20 0 CBADLP COCC[N@@H+]1CC[C@](O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001393269026 900822691 /nfs/dbraw/zinc/82/26/91/900822691.db2.gz LOBMGLRGPQJXDO-ZDUSSCGKSA-N 2 2 282.344 -0.848 20 0 CBADLP COCC[N@H+]1CC[C@](O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001393269026 900822698 /nfs/dbraw/zinc/82/26/98/900822698.db2.gz LOBMGLRGPQJXDO-ZDUSSCGKSA-N 2 2 282.344 -0.848 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@]1(O)CC[N@H+](CC2CC2)C1 ZINC001393287218 900825388 /nfs/dbraw/zinc/82/53/88/900825388.db2.gz AHFDYSRYBFEATC-CQSZACIVSA-N 2 2 278.356 -0.154 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@]1(O)CC[N@@H+](CC2CC2)C1 ZINC001393287218 900825395 /nfs/dbraw/zinc/82/53/95/900825395.db2.gz AHFDYSRYBFEATC-CQSZACIVSA-N 2 2 278.356 -0.154 20 0 CBADLP CC(C)[C@@H](C(=O)NCC1(O)C[NH+](C[C@H](C)O)C1)[NH+](C)C ZINC001393316650 900837714 /nfs/dbraw/zinc/83/77/14/900837714.db2.gz TXWVOAGNOFAQHU-RYUDHWBXSA-N 2 2 287.404 -0.884 20 0 CBADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1(O)C[NH+](C[C@@H](C)O)C1 ZINC001393357971 900845294 /nfs/dbraw/zinc/84/52/94/900845294.db2.gz JKKRMRMYNIBHGH-CHWSQXEVSA-N 2 2 299.415 -0.596 20 0 CBADLP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1(O)C[NH+](C[C@@H](C)O)C1 ZINC001393357971 900845299 /nfs/dbraw/zinc/84/52/99/900845299.db2.gz JKKRMRMYNIBHGH-CHWSQXEVSA-N 2 2 299.415 -0.596 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N(C)CCC[N@H+](C)CC(N)=O ZINC001393640872 900887786 /nfs/dbraw/zinc/88/77/86/900887786.db2.gz NFIGJRXIFCPAHJ-UHFFFAOYSA-N 2 2 281.360 -0.474 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N(C)CCC[N@@H+](C)CC(N)=O ZINC001393640872 900887794 /nfs/dbraw/zinc/88/77/94/900887794.db2.gz NFIGJRXIFCPAHJ-UHFFFAOYSA-N 2 2 281.360 -0.474 20 0 CBADLP CCC[N@H+](C)CCC(=O)N[C@H]1COC2(C[NH+](CCO)C2)C1 ZINC001393675865 900892683 /nfs/dbraw/zinc/89/26/83/900892683.db2.gz REYXBEAREHJECO-CYBMUJFWSA-N 2 2 299.415 -0.330 20 0 CBADLP CCC[N@@H+](C)CCC(=O)N[C@H]1COC2(C[NH+](CCO)C2)C1 ZINC001393675865 900892689 /nfs/dbraw/zinc/89/26/89/900892689.db2.gz REYXBEAREHJECO-CYBMUJFWSA-N 2 2 299.415 -0.330 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+](C)[C@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001394135790 900983680 /nfs/dbraw/zinc/98/36/80/900983680.db2.gz XBLDMSUCUYWOGK-GHMZBOCLSA-N 2 2 295.387 -0.237 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001394135790 900983692 /nfs/dbraw/zinc/98/36/92/900983692.db2.gz XBLDMSUCUYWOGK-GHMZBOCLSA-N 2 2 295.387 -0.237 20 0 CBADLP CNC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001394254704 901005036 /nfs/dbraw/zinc/00/50/36/901005036.db2.gz RJCMRBHSKPOFSW-SMDDNHRTSA-N 2 2 298.431 -0.245 20 0 CBADLP C[C@H](NC(=O)CCC[NH+](C)C)C1C[NH+](CC(N)=O)C1 ZINC001394247618 901004006 /nfs/dbraw/zinc/00/40/06/901004006.db2.gz INQUOALNRNZEAG-JTQLQIEISA-N 2 2 270.377 -0.750 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H](CO)[NH2+]CC[C@H]1CCCO1 ZINC001394644555 901102230 /nfs/dbraw/zinc/10/22/30/901102230.db2.gz MWUUNCAPLDOMJM-VXGBXAGGSA-N 2 2 296.371 -0.412 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@@H](CO)[NH2+]CC1CCOCC1 ZINC001394660290 901112589 /nfs/dbraw/zinc/11/25/89/901112589.db2.gz UPHYSHPCULAPBV-ZDUSSCGKSA-N 2 2 296.371 -0.624 20 0 CBADLP CNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001394666156 901115171 /nfs/dbraw/zinc/11/51/71/901115171.db2.gz FZJJHBKXDMWHJL-ZJUUUORDSA-N 2 2 279.344 -0.723 20 0 CBADLP CC[NH+](CC)CC(=O)N[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001397480658 901418850 /nfs/dbraw/zinc/41/88/50/901418850.db2.gz DGXACWPZAMLQGQ-GFCCVEGCSA-N 2 2 295.387 -0.154 20 0 CBADLP CN(CCNC(=O)CCC[NH+](C)C)C(=O)Cc1[nH]cc[nH+]1 ZINC001398014742 901491453 /nfs/dbraw/zinc/49/14/53/901491453.db2.gz BRAUZFQBIMRSOF-UHFFFAOYSA-N 2 2 295.387 -0.131 20 0 CBADLP CN(CCNC(=O)Cc1c[nH]c[nH+]1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001398060925 901496852 /nfs/dbraw/zinc/49/68/52/901496852.db2.gz VTKILTOEDZKJLG-LLVKDONJSA-N 2 2 293.371 -0.522 20 0 CBADLP CN(CCNC(=O)Cc1c[nH]c[nH+]1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001398060925 901496859 /nfs/dbraw/zinc/49/68/59/901496859.db2.gz VTKILTOEDZKJLG-LLVKDONJSA-N 2 2 293.371 -0.522 20 0 CBADLP C[C@H]([NH2+]CC(N)=O)[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001398194650 901505021 /nfs/dbraw/zinc/50/50/21/901505021.db2.gz BKJJALWGBAZDCG-NWDGAFQWSA-N 2 2 293.371 -0.272 20 0 CBADLP CC(C)[C@@H](C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1)[NH+](C)C ZINC001398228359 901507618 /nfs/dbraw/zinc/50/76/18/901507618.db2.gz ITZSAUGBHQMMCH-YPMHNXCESA-N 2 2 284.404 -0.362 20 0 CBADLP CC(C)[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1)[NH+](C)C ZINC001398228359 901507625 /nfs/dbraw/zinc/50/76/25/901507625.db2.gz ITZSAUGBHQMMCH-YPMHNXCESA-N 2 2 284.404 -0.362 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)N[C@H]1CCC[N@H+](CCO)C1 ZINC001398246875 901513263 /nfs/dbraw/zinc/51/32/63/901513263.db2.gz YPQUJBHTPFUCNI-LBPRGKRZSA-N 2 2 280.372 -0.074 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)N[C@H]1CCC[N@@H+](CCO)C1 ZINC001398246875 901513272 /nfs/dbraw/zinc/51/32/72/901513272.db2.gz YPQUJBHTPFUCNI-LBPRGKRZSA-N 2 2 280.372 -0.074 20 0 CBADLP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CCC[NH+](CC(N)=O)C1 ZINC001398239720 901514338 /nfs/dbraw/zinc/51/43/38/901514338.db2.gz WKNZZDAFSGVQFS-CHWSQXEVSA-N 2 2 296.415 -0.073 20 0 CBADLP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CCC[NH+](CC(N)=O)C1 ZINC001398239720 901514355 /nfs/dbraw/zinc/51/43/55/901514355.db2.gz WKNZZDAFSGVQFS-CHWSQXEVSA-N 2 2 296.415 -0.073 20 0 CBADLP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001398239720 901514368 /nfs/dbraw/zinc/51/43/68/901514368.db2.gz WKNZZDAFSGVQFS-CHWSQXEVSA-N 2 2 296.415 -0.073 20 0 CBADLP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001398239720 901514378 /nfs/dbraw/zinc/51/43/78/901514378.db2.gz WKNZZDAFSGVQFS-CHWSQXEVSA-N 2 2 296.415 -0.073 20 0 CBADLP C[C@@H]([NH2+][C@H](CNC(=O)Cc1c[nH]c[nH+]1)C1CC1)C(N)=O ZINC001398437426 901536445 /nfs/dbraw/zinc/53/64/45/901536445.db2.gz ANTYDUNHQGNLJD-LDYMZIIASA-N 2 2 279.344 -0.690 20 0 CBADLP CC[C@@H]([NH2+][C@H](CNC(=O)Cc1c[nH]c[nH+]1)C1CC1)C(N)=O ZINC001398440582 901537464 /nfs/dbraw/zinc/53/74/64/901537464.db2.gz LEBZBRXZCXKWOQ-VXGBXAGGSA-N 2 2 293.371 -0.300 20 0 CBADLP C[C@@H](O)C[NH2+][C@H](CNC(=O)Cc1c[nH+]cn1C)C1CC1 ZINC001398451166 901540460 /nfs/dbraw/zinc/54/04/60/901540460.db2.gz VTSHMHKJGRLVTN-ZWNOBZJWSA-N 2 2 280.372 -0.172 20 0 CBADLP C[C@H](O)C[NH2+][C@H](CNC(=O)Cc1c[nH+]cn1C)C1CC1 ZINC001398451156 901540529 /nfs/dbraw/zinc/54/05/29/901540529.db2.gz VTSHMHKJGRLVTN-GXFFZTMASA-N 2 2 280.372 -0.172 20 0 CBADLP C[C@@H]([NH2+][C@@H](CNC(=O)Cc1c[nH+]cn1C)C1CC1)C(N)=O ZINC001398442370 901542535 /nfs/dbraw/zinc/54/25/35/901542535.db2.gz APDCKNNUBGQFKN-SKDRFNHKSA-N 2 2 293.371 -0.679 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001398611710 901575715 /nfs/dbraw/zinc/57/57/15/901575715.db2.gz JILDMZNUKAHIGE-LPEHRKFASA-N 2 2 279.344 -0.677 20 0 CBADLP C[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001398614635 901576872 /nfs/dbraw/zinc/57/68/72/901576872.db2.gz DTTUVYGZYCOBHK-SDDRHHMPSA-N 2 2 280.372 -0.030 20 0 CBADLP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)CCn2cc[nH+]c2)C1)C(N)=O ZINC001398628423 901579773 /nfs/dbraw/zinc/57/97/73/901579773.db2.gz QGVMXTFBXHOEQC-MXWKQRLJSA-N 2 2 279.344 -0.616 20 0 CBADLP Cc1oncc1C[NH2+][C@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001398903480 901625760 /nfs/dbraw/zinc/62/57/60/901625760.db2.gz XNOUMTIDPZUIRY-MFKMUULPSA-N 2 2 296.371 -0.092 20 0 CBADLP Cc1oncc1C[NH2+][C@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001398903480 901625763 /nfs/dbraw/zinc/62/57/63/901625763.db2.gz XNOUMTIDPZUIRY-MFKMUULPSA-N 2 2 296.371 -0.092 20 0 CBADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CC(=O)N(C)C1CC1 ZINC001399159692 901676355 /nfs/dbraw/zinc/67/63/55/901676355.db2.gz KTKNFSGEEFUNHH-LLVKDONJSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+]CC(=O)N(C)C ZINC001399424355 901713035 /nfs/dbraw/zinc/71/30/35/901713035.db2.gz ATRUIWHRIRLYPO-NSHDSACASA-N 2 2 281.360 -0.544 20 0 CBADLP CC[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)CC(N)=O ZINC001399724227 901781616 /nfs/dbraw/zinc/78/16/16/901781616.db2.gz VLAATTMWBZPNBU-NSHDSACASA-N 2 2 270.377 -0.606 20 0 CBADLP CC[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)CC(N)=O ZINC001399724227 901781621 /nfs/dbraw/zinc/78/16/21/901781621.db2.gz VLAATTMWBZPNBU-NSHDSACASA-N 2 2 270.377 -0.606 20 0 CBADLP CC[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)CC(N)=O ZINC001399724227 901781630 /nfs/dbraw/zinc/78/16/30/901781630.db2.gz VLAATTMWBZPNBU-NSHDSACASA-N 2 2 270.377 -0.606 20 0 CBADLP CC[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1C)CC(N)=O ZINC001399724227 901781637 /nfs/dbraw/zinc/78/16/37/901781637.db2.gz VLAATTMWBZPNBU-NSHDSACASA-N 2 2 270.377 -0.606 20 0 CBADLP Cn1ncnc1C[N@@H+]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001399932107 901837978 /nfs/dbraw/zinc/83/79/78/901837978.db2.gz QTTLXPZBHVKFLT-GFCCVEGCSA-N 2 2 294.403 -0.295 20 0 CBADLP Cn1ncnc1C[N@H+]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001399932107 901837987 /nfs/dbraw/zinc/83/79/87/901837987.db2.gz QTTLXPZBHVKFLT-GFCCVEGCSA-N 2 2 294.403 -0.295 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001400186871 901893781 /nfs/dbraw/zinc/89/37/81/901893781.db2.gz JTLKOPHVKAEYFD-NSHDSACASA-N 2 2 293.371 -0.474 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@H](CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001400186871 901893787 /nfs/dbraw/zinc/89/37/87/901893787.db2.gz JTLKOPHVKAEYFD-NSHDSACASA-N 2 2 293.371 -0.474 20 0 CBADLP C[NH+](C)CC1(C(=O)NCC2C[NH+]([C@H]3CCNC3=O)C2)CC1 ZINC001400531488 901965374 /nfs/dbraw/zinc/96/53/74/901965374.db2.gz RQOOFBYWQWKYDE-LBPRGKRZSA-N 2 2 294.399 -0.735 20 0 CBADLP CN1CC[C@H]([NH+]2CC(CNC(=O)C[NH+]3CCCC3)C2)C1=O ZINC001400560085 901969387 /nfs/dbraw/zinc/96/93/87/901969387.db2.gz HOCKCHHBQHJQKK-ZDUSSCGKSA-N 2 2 294.399 -0.639 20 0 CBADLP CC[C@H](C(=O)N(CC)[C@@H]1CC[N@H+](CC(N)=O)C1)[NH+](C)C ZINC001400754245 902007920 /nfs/dbraw/zinc/00/79/20/902007920.db2.gz BAGOMVXXTSKEJR-VXGBXAGGSA-N 2 2 284.404 -0.265 20 0 CBADLP CC[C@H](C(=O)N(CC)[C@@H]1CC[N@@H+](CC(N)=O)C1)[NH+](C)C ZINC001400754245 902007933 /nfs/dbraw/zinc/00/79/33/902007933.db2.gz BAGOMVXXTSKEJR-VXGBXAGGSA-N 2 2 284.404 -0.265 20 0 CBADLP CCN(C(=O)Cn1c[nH+]cc1C)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001400747723 902010007 /nfs/dbraw/zinc/01/00/07/902010007.db2.gz OYZZAXAVSPVYHD-GFCCVEGCSA-N 2 2 293.371 -0.400 20 0 CBADLP CCN(C(=O)Cn1c[nH+]cc1C)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001400747723 902010021 /nfs/dbraw/zinc/01/00/21/902010021.db2.gz OYZZAXAVSPVYHD-GFCCVEGCSA-N 2 2 293.371 -0.400 20 0 CBADLP CC[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@H](C)C(=O)N(C)C ZINC001400844404 902025861 /nfs/dbraw/zinc/02/58/61/902025861.db2.gz BYKPCDRTWVZDQL-MNOVXSKESA-N 2 2 295.387 -0.087 20 0 CBADLP CC[C@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)[NH2+]CC(N)=O ZINC001400819136 902026480 /nfs/dbraw/zinc/02/64/80/902026480.db2.gz KVOLNQCYOHKUBO-GHMZBOCLSA-N 2 2 293.371 -0.585 20 0 CBADLP CC[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@@H]1CCCNC1=O ZINC001400870906 902033444 /nfs/dbraw/zinc/03/34/44/902033444.db2.gz WLBVMLICNJXWAI-GHMZBOCLSA-N 2 2 293.371 -0.285 20 0 CBADLP CC(C)[C@H](C(=O)NC[C@H]1C[N@H+](CCO)CCO1)[NH+](C)C ZINC001401157810 902067178 /nfs/dbraw/zinc/06/71/78/902067178.db2.gz AUKUUEWLNOMZJN-QWHCGFSZSA-N 2 2 287.404 -0.618 20 0 CBADLP CC(C)[C@H](C(=O)NC[C@H]1C[N@@H+](CCO)CCO1)[NH+](C)C ZINC001401157810 902067185 /nfs/dbraw/zinc/06/71/85/902067185.db2.gz AUKUUEWLNOMZJN-QWHCGFSZSA-N 2 2 287.404 -0.618 20 0 CBADLP C[C@H](C[NH2+]CC(N)=O)N(C)C(=O)CCc1c[nH+]cn1C ZINC001401262707 902096984 /nfs/dbraw/zinc/09/69/84/902096984.db2.gz WKVQSSKZUOHFAH-SNVBAGLBSA-N 2 2 281.360 -0.726 20 0 CBADLP CC(C)C[C@H](C[NH2+]CC(N)=O)NC(=O)Cn1cc[nH+]c1 ZINC001401271871 902100664 /nfs/dbraw/zinc/10/06/64/902100664.db2.gz LMADIAQEPYSZFZ-LLVKDONJSA-N 2 2 281.360 -0.511 20 0 CBADLP CC[C@H]([NH2+][C@@H](CNC(=O)Cn1cc[nH+]c1)C(C)C)C(N)=O ZINC001401359024 902111228 /nfs/dbraw/zinc/11/12/28/902111228.db2.gz XXCWOUJDUYPOJU-RYUDHWBXSA-N 2 2 295.387 -0.123 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001401438545 902125496 /nfs/dbraw/zinc/12/54/96/902125496.db2.gz NQBYMVWWYVRSBR-ZDUSSCGKSA-N 2 2 298.431 -0.147 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001401438545 902125503 /nfs/dbraw/zinc/12/55/03/902125503.db2.gz NQBYMVWWYVRSBR-ZDUSSCGKSA-N 2 2 298.431 -0.147 20 0 CBADLP CC(C)NC(=O)C[NH+](C)CCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001401438545 902125514 /nfs/dbraw/zinc/12/55/14/902125514.db2.gz NQBYMVWWYVRSBR-ZDUSSCGKSA-N 2 2 298.431 -0.147 20 0 CBADLP CC(C)NC(=O)C[NH+](C)CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001401438545 902125523 /nfs/dbraw/zinc/12/55/23/902125523.db2.gz NQBYMVWWYVRSBR-ZDUSSCGKSA-N 2 2 298.431 -0.147 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1csnn1 ZINC001401557652 902165262 /nfs/dbraw/zinc/16/52/62/902165262.db2.gz NRCBULWGHIXKQG-WDEREUQCSA-N 2 2 299.400 -0.801 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1csnn1 ZINC001401557652 902165270 /nfs/dbraw/zinc/16/52/70/902165270.db2.gz NRCBULWGHIXKQG-WDEREUQCSA-N 2 2 299.400 -0.801 20 0 CBADLP CCN(C)C(=O)C[NH2+]C[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001401642006 902206070 /nfs/dbraw/zinc/20/60/70/902206070.db2.gz VLDHEWSDYKWFHR-GFCCVEGCSA-N 2 2 295.387 -0.154 20 0 CBADLP CNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001401689829 902230446 /nfs/dbraw/zinc/23/04/46/902230446.db2.gz LJPHEYCLYLBFPU-WDEREUQCSA-N 2 2 293.371 -0.714 20 0 CBADLP C[C@@H](C[NH2+]CC(=O)N1CCC1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001401687447 902230780 /nfs/dbraw/zinc/23/07/80/902230780.db2.gz KGWXSVNOZNRJAI-NSHDSACASA-N 2 2 293.371 -0.331 20 0 CBADLP C[C@@H](C[NH2+]CC(=O)N1CCC1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001401687447 902230792 /nfs/dbraw/zinc/23/07/92/902230792.db2.gz KGWXSVNOZNRJAI-NSHDSACASA-N 2 2 293.371 -0.331 20 0 CBADLP C[C@@H](C[NH2+][C@@H]1CCCNC1=O)NC(=O)Cc1c[nH+]cn1C ZINC001401718523 902242794 /nfs/dbraw/zinc/24/27/94/902242794.db2.gz QKYUKASLINTQMD-CMPLNLGQSA-N 2 2 293.371 -0.665 20 0 CBADLP C[C@@H](C[NH2+][C@@H](C)C(N)=O)NC(=O)CCCn1cc[nH+]c1 ZINC001401721581 902244212 /nfs/dbraw/zinc/24/42/12/902244212.db2.gz PTIXSUMGJKXHRS-QWRGUYRKSA-N 2 2 281.360 -0.369 20 0 CBADLP C[C@H](C[N@H+](C)[C@@H]1CCNC1=O)NC(=O)Cc1c[nH+]cn1C ZINC001401795160 902276709 /nfs/dbraw/zinc/27/67/09/902276709.db2.gz FWDVQVMMINDHFD-ZYHUDNBSSA-N 2 2 293.371 -0.712 20 0 CBADLP C[C@H](C[N@@H+](C)[C@@H]1CCNC1=O)NC(=O)Cc1c[nH+]cn1C ZINC001401795160 902276721 /nfs/dbraw/zinc/27/67/21/902276721.db2.gz FWDVQVMMINDHFD-ZYHUDNBSSA-N 2 2 293.371 -0.712 20 0 CBADLP CC[C@H]([NH2+]C1(CNC(=O)Cc2[nH]cc[nH+]2)CC1)C(N)=O ZINC001401967956 902326489 /nfs/dbraw/zinc/32/64/89/902326489.db2.gz CULAUJJJIQOCTF-VIFPVBQESA-N 2 2 279.344 -0.546 20 0 CBADLP CN1CC[C@@H]([NH2+]C2(CNC(=O)Cc3c[nH]c[nH+]3)CC2)C1=O ZINC001401964649 902327557 /nfs/dbraw/zinc/32/75/57/902327557.db2.gz VDJDTXKVNAYYNG-LLVKDONJSA-N 2 2 291.355 -0.579 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001402140676 902369555 /nfs/dbraw/zinc/36/95/55/902369555.db2.gz VGMOLVIOCBGJLV-WFASDCNBSA-N 2 2 296.415 -0.345 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@](C)(NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001402140676 902369562 /nfs/dbraw/zinc/36/95/62/902369562.db2.gz VGMOLVIOCBGJLV-WFASDCNBSA-N 2 2 296.415 -0.345 20 0 CBADLP CNC(=O)C[NH+]1CC[C@](C)(NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001402140676 902369569 /nfs/dbraw/zinc/36/95/69/902369569.db2.gz VGMOLVIOCBGJLV-WFASDCNBSA-N 2 2 296.415 -0.345 20 0 CBADLP CNC(=O)C[NH+]1CC[C@](C)(NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001402140676 902369574 /nfs/dbraw/zinc/36/95/74/902369574.db2.gz VGMOLVIOCBGJLV-WFASDCNBSA-N 2 2 296.415 -0.345 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001402225114 902384399 /nfs/dbraw/zinc/38/43/99/902384399.db2.gz FLZLCRZTHXWMHH-LLVKDONJSA-N 2 2 270.377 -0.737 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001402225114 902384413 /nfs/dbraw/zinc/38/44/13/902384413.db2.gz FLZLCRZTHXWMHH-LLVKDONJSA-N 2 2 270.377 -0.737 20 0 CBADLP CNC(=O)C[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001402225114 902384428 /nfs/dbraw/zinc/38/44/28/902384428.db2.gz FLZLCRZTHXWMHH-LLVKDONJSA-N 2 2 270.377 -0.737 20 0 CBADLP CNC(=O)C[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001402225114 902384442 /nfs/dbraw/zinc/38/44/42/902384442.db2.gz FLZLCRZTHXWMHH-LLVKDONJSA-N 2 2 270.377 -0.737 20 0 CBADLP CC(C)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001402221648 902386442 /nfs/dbraw/zinc/38/64/42/902386442.db2.gz VZAVXJHYJUYGBC-QWHCGFSZSA-N 2 2 296.415 -0.347 20 0 CBADLP CC(C)NC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001402221648 902386453 /nfs/dbraw/zinc/38/64/53/902386453.db2.gz VZAVXJHYJUYGBC-QWHCGFSZSA-N 2 2 296.415 -0.347 20 0 CBADLP CC(C)NC(=O)C[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001402221648 902386465 /nfs/dbraw/zinc/38/64/65/902386465.db2.gz VZAVXJHYJUYGBC-QWHCGFSZSA-N 2 2 296.415 -0.347 20 0 CBADLP CC(C)NC(=O)C[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001402221648 902386475 /nfs/dbraw/zinc/38/64/75/902386475.db2.gz VZAVXJHYJUYGBC-QWHCGFSZSA-N 2 2 296.415 -0.347 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC[C@@]1(O)CC[N@H+](CCCF)C1 ZINC001402322460 902421377 /nfs/dbraw/zinc/42/13/77/902421377.db2.gz VUILOCFPZLBSCR-AWEZNQCLSA-N 2 2 298.362 -0.125 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC[C@@]1(O)CC[N@@H+](CCCF)C1 ZINC001402322460 902421385 /nfs/dbraw/zinc/42/13/85/902421385.db2.gz VUILOCFPZLBSCR-AWEZNQCLSA-N 2 2 298.362 -0.125 20 0 CBADLP CC(C)C[NH+]1CC(O)(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001402351608 902431546 /nfs/dbraw/zinc/43/15/46/902431546.db2.gz HMHGWTWQHYEZSB-UHFFFAOYSA-N 2 2 299.415 -0.472 20 0 CBADLP CC(C)[C@H](C(=O)NCC1(O)C[NH+](CCCO)C1)[NH+](C)C ZINC001402366101 902436467 /nfs/dbraw/zinc/43/64/67/902436467.db2.gz AJHRVXDSNFVZML-GFCCVEGCSA-N 2 2 287.404 -0.882 20 0 CBADLP CC(C)OCC[NH+]1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001402390172 902442570 /nfs/dbraw/zinc/44/25/70/902442570.db2.gz VBGARTCDTMOOQV-CYBMUJFWSA-N 2 2 299.415 -0.474 20 0 CBADLP CC(C)OCC[NH+]1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001402390172 902442585 /nfs/dbraw/zinc/44/25/85/902442585.db2.gz VBGARTCDTMOOQV-CYBMUJFWSA-N 2 2 299.415 -0.474 20 0 CBADLP C[C@H]([NH2+]CC(N)=O)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001402418408 902444770 /nfs/dbraw/zinc/44/47/70/902444770.db2.gz VLVUUKAANSHANC-WDEREUQCSA-N 2 2 279.344 -0.805 20 0 CBADLP CC(C)[N@@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001402448924 902451115 /nfs/dbraw/zinc/45/11/15/902451115.db2.gz LPRAWSLMSWUHCH-DZGCQCFKSA-N 2 2 299.415 -0.332 20 0 CBADLP CC(C)[N@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001402448924 902451120 /nfs/dbraw/zinc/45/11/20/902451120.db2.gz LPRAWSLMSWUHCH-DZGCQCFKSA-N 2 2 299.415 -0.332 20 0 CBADLP CC(C)[NH+]1CCC[C@@](CO)(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001402448924 902451126 /nfs/dbraw/zinc/45/11/26/902451126.db2.gz LPRAWSLMSWUHCH-DZGCQCFKSA-N 2 2 299.415 -0.332 20 0 CBADLP CC(C)[NH+]1CCC[C@@](CO)(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001402448924 902451131 /nfs/dbraw/zinc/45/11/31/902451131.db2.gz LPRAWSLMSWUHCH-DZGCQCFKSA-N 2 2 299.415 -0.332 20 0 CBADLP CC(C)[N@@H+]1CCC[C@](CO)(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001402449050 902451872 /nfs/dbraw/zinc/45/18/72/902451872.db2.gz LPRAWSLMSWUHCH-ZFWWWQNUSA-N 2 2 299.415 -0.332 20 0 CBADLP CC(C)[N@H+]1CCC[C@](CO)(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001402449050 902451884 /nfs/dbraw/zinc/45/18/84/902451884.db2.gz LPRAWSLMSWUHCH-ZFWWWQNUSA-N 2 2 299.415 -0.332 20 0 CBADLP CC(C)[NH+]1CCC[C@](CO)(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001402449050 902451892 /nfs/dbraw/zinc/45/18/92/902451892.db2.gz LPRAWSLMSWUHCH-ZFWWWQNUSA-N 2 2 299.415 -0.332 20 0 CBADLP CC(C)[NH+]1CCC[C@](CO)(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001402449050 902451899 /nfs/dbraw/zinc/45/18/99/902451899.db2.gz LPRAWSLMSWUHCH-ZFWWWQNUSA-N 2 2 299.415 -0.332 20 0 CBADLP CNC(=O)C[NH2+][C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001402467262 902461560 /nfs/dbraw/zinc/46/15/60/902461560.db2.gz OMLLVKYZPLWTGO-LBPRGKRZSA-N 2 2 293.371 -0.400 20 0 CBADLP CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001402550728 902474399 /nfs/dbraw/zinc/47/43/99/902474399.db2.gz PZLALCRRVVPHMR-XYPYZODXSA-N 2 2 279.344 -0.744 20 0 CBADLP CNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001402699232 902505917 /nfs/dbraw/zinc/50/59/17/902505917.db2.gz WJXFVZGSAPYQNZ-GFCCVEGCSA-N 2 2 293.371 -0.543 20 0 CBADLP CNC(=O)C[N@H+]1CCC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001402699232 902505925 /nfs/dbraw/zinc/50/59/25/902505925.db2.gz WJXFVZGSAPYQNZ-GFCCVEGCSA-N 2 2 293.371 -0.543 20 0 CBADLP CC[N@H+](C)CCC(=O)N[C@@H]1COC2(C[NH+](CCO)C2)C1 ZINC001402729832 902511582 /nfs/dbraw/zinc/51/15/82/902511582.db2.gz RWDAYDWIBNYXHI-LBPRGKRZSA-N 2 2 285.388 -0.720 20 0 CBADLP CC[N@@H+](C)CCC(=O)N[C@@H]1COC2(C[NH+](CCO)C2)C1 ZINC001402729832 902511585 /nfs/dbraw/zinc/51/15/85/902511585.db2.gz RWDAYDWIBNYXHI-LBPRGKRZSA-N 2 2 285.388 -0.720 20 0 CBADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]Cc1nccn1C ZINC001403082106 902610044 /nfs/dbraw/zinc/61/00/44/902610044.db2.gz MGLXMAIXFGPXQN-LLVKDONJSA-N 2 2 290.371 -0.009 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)[NH2+]CC(=O)N(C)C ZINC001403100048 902615644 /nfs/dbraw/zinc/61/56/44/902615644.db2.gz RFKYXFBANLVPFK-SECBINFHSA-N 2 2 281.360 -0.557 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001403096905 902616146 /nfs/dbraw/zinc/61/61/46/902616146.db2.gz NITNYXBFXYWABE-WPRPVWTQSA-N 2 2 281.360 -0.511 20 0 CBADLP CC(C)NC(=O)C[NH2+][C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001403131702 902622668 /nfs/dbraw/zinc/62/26/68/902622668.db2.gz HSKPXCXHRFALKA-NSHDSACASA-N 2 2 281.360 -0.498 20 0 CBADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CCn1cncn1 ZINC001403142625 902626334 /nfs/dbraw/zinc/62/63/34/902626334.db2.gz QNPJLFBDBUVAPR-NSHDSACASA-N 2 2 277.332 -0.731 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@@H](C)CNC(=O)CCCn1cc[nH+]c1 ZINC001403142467 902626639 /nfs/dbraw/zinc/62/66/39/902626639.db2.gz QDNHJEUYZWABNY-RYUDHWBXSA-N 2 2 295.387 -0.108 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)[N@H+](C)CCO ZINC001403144221 902628604 /nfs/dbraw/zinc/62/86/04/902628604.db2.gz HTTSNLBXTMPMIQ-VXGBXAGGSA-N 2 2 280.372 -0.126 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)[N@@H+](C)CCO ZINC001403144221 902628611 /nfs/dbraw/zinc/62/86/11/902628611.db2.gz HTTSNLBXTMPMIQ-VXGBXAGGSA-N 2 2 280.372 -0.126 20 0 CBADLP C[C@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)[N@H+](C)CCO ZINC001403143652 902628809 /nfs/dbraw/zinc/62/88/09/902628809.db2.gz HTTSNLBXTMPMIQ-NEPJUHHUSA-N 2 2 280.372 -0.126 20 0 CBADLP C[C@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)[N@@H+](C)CCO ZINC001403143652 902628818 /nfs/dbraw/zinc/62/88/18/902628818.db2.gz HTTSNLBXTMPMIQ-NEPJUHHUSA-N 2 2 280.372 -0.126 20 0 CBADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+][C@@H](C)c1nncn1C ZINC001403149749 902632253 /nfs/dbraw/zinc/63/22/53/902632253.db2.gz WXZUJIJFCWEQHG-QWRGUYRKSA-N 2 2 291.359 -0.133 20 0 CBADLP CC[C@H](C(N)=O)[N@H+](C)[C@@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001403162422 902634934 /nfs/dbraw/zinc/63/49/34/902634934.db2.gz YMWWACZSTOQXHL-NWDGAFQWSA-N 2 2 295.387 -0.026 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+](C)[C@@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001403162422 902634941 /nfs/dbraw/zinc/63/49/41/902634941.db2.gz YMWWACZSTOQXHL-NWDGAFQWSA-N 2 2 295.387 -0.026 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+](C)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001403216071 902650526 /nfs/dbraw/zinc/65/05/26/902650526.db2.gz JLSXGLMCZJIOHF-GHMZBOCLSA-N 2 2 281.360 -0.546 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001403216071 902650535 /nfs/dbraw/zinc/65/05/35/902650535.db2.gz JLSXGLMCZJIOHF-GHMZBOCLSA-N 2 2 281.360 -0.546 20 0 CBADLP C[C@H](NC(=O)C1(C[NH+](C)C)CC1)C1C[NH+](CC(N)=O)C1 ZINC001403314349 902668021 /nfs/dbraw/zinc/66/80/21/902668021.db2.gz MMQXAYWGURIQIV-JTQLQIEISA-N 2 2 282.388 -0.750 20 0 CBADLP CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001403332744 902671910 /nfs/dbraw/zinc/67/19/10/902671910.db2.gz UAPHLVDTXNJFFC-NWDGAFQWSA-N 2 2 296.415 -0.489 20 0 CBADLP CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001403332744 902671915 /nfs/dbraw/zinc/67/19/15/902671915.db2.gz UAPHLVDTXNJFFC-NWDGAFQWSA-N 2 2 296.415 -0.489 20 0 CBADLP CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001403332765 902672654 /nfs/dbraw/zinc/67/26/54/902672654.db2.gz UAPHLVDTXNJFFC-VXGBXAGGSA-N 2 2 296.415 -0.489 20 0 CBADLP CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001403332765 902672662 /nfs/dbraw/zinc/67/26/62/902672662.db2.gz UAPHLVDTXNJFFC-VXGBXAGGSA-N 2 2 296.415 -0.489 20 0 CBADLP CCC[N@H+](C)CC(=O)N[C@@H](C)C1C[NH+](CC(=O)NCC)C1 ZINC001403358891 902674054 /nfs/dbraw/zinc/67/40/54/902674054.db2.gz UHPKCOJHOWMJDO-LBPRGKRZSA-N 2 2 298.431 -0.099 20 0 CBADLP CCC[N@@H+](C)CC(=O)N[C@@H](C)C1C[NH+](CC(=O)NCC)C1 ZINC001403358891 902674064 /nfs/dbraw/zinc/67/40/64/902674064.db2.gz UHPKCOJHOWMJDO-LBPRGKRZSA-N 2 2 298.431 -0.099 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C1C[NH+]([C@H](C)C(N)=O)C1 ZINC001403348256 902675191 /nfs/dbraw/zinc/67/51/91/902675191.db2.gz IPPCUZJHGHDZIN-WDEREUQCSA-N 2 2 284.404 -0.363 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C1C[NH+]([C@H](C)C(N)=O)C1 ZINC001403348256 902675203 /nfs/dbraw/zinc/67/52/03/902675203.db2.gz IPPCUZJHGHDZIN-WDEREUQCSA-N 2 2 284.404 -0.363 20 0 CBADLP C[C@@H]([NH2+]CCO)[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001403413980 902683360 /nfs/dbraw/zinc/68/33/60/902683360.db2.gz JQHJIIQKUGRCFL-ZYHUDNBSSA-N 2 2 282.344 -0.850 20 0 CBADLP CNC(=O)C[N@@H+](C)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001403466849 902695754 /nfs/dbraw/zinc/69/57/54/902695754.db2.gz KZYKDKBBJCJTBY-UHFFFAOYSA-N 2 2 293.371 -0.448 20 0 CBADLP C[C@H](CCNC(=O)CCc1c[nH+]cn1C)[NH2+][C@H](C)C(N)=O ZINC001403474788 902696581 /nfs/dbraw/zinc/69/65/81/902696581.db2.gz SBYQMAZKFVQPLQ-GHMZBOCLSA-N 2 2 295.387 -0.289 20 0 CBADLP CC[C@H]([NH2+][C@@H](C)CCNC(=O)Cc1[nH]cc[nH+]1)C(N)=O ZINC001403459432 902696681 /nfs/dbraw/zinc/69/66/81/902696681.db2.gz KUVWPHKVXGNZPT-UWVGGRQHSA-N 2 2 281.360 -0.300 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001403507165 902708299 /nfs/dbraw/zinc/70/82/99/902708299.db2.gz METYBMZSMQTKBX-LBPRGKRZSA-N 2 2 284.404 -0.347 20 0 CBADLP CC(C)NC(=O)C[NH+](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001403507165 902708311 /nfs/dbraw/zinc/70/83/11/902708311.db2.gz METYBMZSMQTKBX-LBPRGKRZSA-N 2 2 284.404 -0.347 20 0 CBADLP CC(C)NC(=O)C[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001403507165 902708321 /nfs/dbraw/zinc/70/83/21/902708321.db2.gz METYBMZSMQTKBX-LBPRGKRZSA-N 2 2 284.404 -0.347 20 0 CBADLP C[C@@H](CN(C)C(=O)CCc1c[nH]c[nH+]1)[NH2+]CC(=O)N(C)C ZINC001403593303 902742735 /nfs/dbraw/zinc/74/27/35/902742735.db2.gz VFMKTOPDTGUAAT-NSHDSACASA-N 2 2 295.387 -0.133 20 0 CBADLP C[C@@H](CN(C)C(=O)CCc1c[nH+]c[nH]1)[NH2+]CC(=O)N(C)C ZINC001403593303 902742748 /nfs/dbraw/zinc/74/27/48/902742748.db2.gz VFMKTOPDTGUAAT-NSHDSACASA-N 2 2 295.387 -0.133 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@@H](C)[NH2+]CC(=O)N(C)C ZINC001403629305 902757462 /nfs/dbraw/zinc/75/74/62/902757462.db2.gz LQHMZUDSYITJIR-SNVBAGLBSA-N 2 2 295.387 -0.215 20 0 CBADLP CNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)CCc1c[nH+]cn1C ZINC001403637512 902760361 /nfs/dbraw/zinc/76/03/61/902760361.db2.gz VZCTUNMYZVSMRU-NSHDSACASA-N 2 2 295.387 -0.465 20 0 CBADLP C[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)CC(=O)NC1CC1 ZINC001403663990 902786096 /nfs/dbraw/zinc/78/60/96/902786096.db2.gz RTILUFTYOYKKCN-GFCCVEGCSA-N 2 2 282.388 -0.593 20 0 CBADLP C[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)CC(=O)NC1CC1 ZINC001403663990 902786105 /nfs/dbraw/zinc/78/61/05/902786105.db2.gz RTILUFTYOYKKCN-GFCCVEGCSA-N 2 2 282.388 -0.593 20 0 CBADLP C[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)CC(=O)NC1CC1 ZINC001403663990 902786113 /nfs/dbraw/zinc/78/61/13/902786113.db2.gz RTILUFTYOYKKCN-GFCCVEGCSA-N 2 2 282.388 -0.593 20 0 CBADLP C[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)CC(=O)NC1CC1 ZINC001403663990 902786120 /nfs/dbraw/zinc/78/61/20/902786120.db2.gz RTILUFTYOYKKCN-GFCCVEGCSA-N 2 2 282.388 -0.593 20 0 CBADLP CNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001403696182 902809678 /nfs/dbraw/zinc/80/96/78/902809678.db2.gz IOBMJRQHSCOOFF-OLZOCXBDSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001403696182 902809691 /nfs/dbraw/zinc/80/96/91/902809691.db2.gz IOBMJRQHSCOOFF-OLZOCXBDSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[NH+](C)CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001403696182 902809707 /nfs/dbraw/zinc/80/97/07/902809707.db2.gz IOBMJRQHSCOOFF-OLZOCXBDSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[NH+](C)CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001403696182 902809720 /nfs/dbraw/zinc/80/97/20/902809720.db2.gz IOBMJRQHSCOOFF-OLZOCXBDSA-N 2 2 296.415 -0.203 20 0 CBADLP C[N@H+](CCNC(=O)Cc1c[nH]c[nH+]1)CCn1cccn1 ZINC001403703822 902810504 /nfs/dbraw/zinc/81/05/04/902810504.db2.gz MHAVAKNZCYKTOM-UHFFFAOYSA-N 2 2 276.344 -0.103 20 0 CBADLP C[N@@H+](CCNC(=O)Cc1c[nH]c[nH+]1)CCn1cccn1 ZINC001403703822 902810519 /nfs/dbraw/zinc/81/05/19/902810519.db2.gz MHAVAKNZCYKTOM-UHFFFAOYSA-N 2 2 276.344 -0.103 20 0 CBADLP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)[C@H]1C ZINC001403780744 902846864 /nfs/dbraw/zinc/84/68/64/902846864.db2.gz XUJACJKITSDCIX-WDEREUQCSA-N 2 2 293.371 -0.414 20 0 CBADLP NC(=O)C[NH2+]C[C@H]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001403815269 902858254 /nfs/dbraw/zinc/85/82/54/902858254.db2.gz OOCBZFKCGQMTDC-WDEREUQCSA-N 2 2 279.344 -0.757 20 0 CBADLP C[C@H](O)C[N@H+](C)C[C@H](O)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001403893653 902895227 /nfs/dbraw/zinc/89/52/27/902895227.db2.gz ANTRXPFNNFGVKG-AAEUAGOBSA-N 2 2 298.387 -0.906 20 0 CBADLP C[C@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001403893653 902895240 /nfs/dbraw/zinc/89/52/40/902895240.db2.gz ANTRXPFNNFGVKG-AAEUAGOBSA-N 2 2 298.387 -0.906 20 0 CBADLP C[C@@H](O)C[N@H+](C)C[C@H](O)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001403893693 902898395 /nfs/dbraw/zinc/89/83/95/902898395.db2.gz ANTRXPFNNFGVKG-YPMHNXCESA-N 2 2 298.387 -0.906 20 0 CBADLP C[C@@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001403893693 902898407 /nfs/dbraw/zinc/89/84/07/902898407.db2.gz ANTRXPFNNFGVKG-YPMHNXCESA-N 2 2 298.387 -0.906 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+]1CCC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001404021896 902924017 /nfs/dbraw/zinc/92/40/17/902924017.db2.gz KXAUEZDJPYJGCN-STQMWFEESA-N 2 2 296.415 -0.073 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+]1CCC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001404021896 902924022 /nfs/dbraw/zinc/92/40/22/902924022.db2.gz KXAUEZDJPYJGCN-STQMWFEESA-N 2 2 296.415 -0.073 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NC1C[NH+](CCCO)C1 ZINC001404838646 903037336 /nfs/dbraw/zinc/03/73/36/903037336.db2.gz PDZHEMRRVVYZGB-LBPRGKRZSA-N 2 2 285.388 -0.863 20 0 CBADLP CCNC(=O)C[NH+]1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001404904571 903049280 /nfs/dbraw/zinc/04/92/80/903049280.db2.gz LLRUMVWMCSWRAQ-UHFFFAOYSA-N 2 2 270.377 -0.878 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001404889209 903051076 /nfs/dbraw/zinc/05/10/76/903051076.db2.gz PJTUKFIERYQFEB-JTQLQIEISA-N 2 2 282.388 -0.608 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CC(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001404889214 903052439 /nfs/dbraw/zinc/05/24/39/903052439.db2.gz PJTUKFIERYQFEB-SNVBAGLBSA-N 2 2 282.388 -0.608 20 0 CBADLP CNC(=O)[C@H](C)[NH+]1CC(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001404930146 903054287 /nfs/dbraw/zinc/05/42/87/903054287.db2.gz FXVGSYAWFAIFBC-JTQLQIEISA-N 2 2 293.371 -0.626 20 0 CBADLP CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001405596435 903185941 /nfs/dbraw/zinc/18/59/41/903185941.db2.gz NHEQKAAFADGGDJ-LLVKDONJSA-N 2 2 293.371 -0.331 20 0 CBADLP CC[C@@H](C(=O)NC[C@@H]1C[N@H+](CCCO)CCO1)[NH+](C)C ZINC001405745872 903213057 /nfs/dbraw/zinc/21/30/57/903213057.db2.gz YGQSQPDSSNKCGV-OLZOCXBDSA-N 2 2 287.404 -0.474 20 0 CBADLP CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](CCCO)CCO1)[NH+](C)C ZINC001405745872 903213066 /nfs/dbraw/zinc/21/30/66/903213066.db2.gz YGQSQPDSSNKCGV-OLZOCXBDSA-N 2 2 287.404 -0.474 20 0 CBADLP C[C@@H](C[NH2+]CC(N)=O)N(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001405833709 903231224 /nfs/dbraw/zinc/23/12/24/903231224.db2.gz FDNZJRZTMKNVKJ-QWRGUYRKSA-N 2 2 293.371 -0.633 20 0 CBADLP CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001405876961 903240539 /nfs/dbraw/zinc/24/05/39/903240539.db2.gz RLTVOMDIDUILNN-SNVBAGLBSA-N 2 2 281.360 -0.475 20 0 CBADLP C[C@H](C[NH2+]CC(N)=O)N(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001405876292 903240920 /nfs/dbraw/zinc/24/09/20/903240920.db2.gz PZDMCBXEQKPFAB-GHMZBOCLSA-N 2 2 281.360 -0.244 20 0 CBADLP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2C[NH+](CCCO)CCO2)C1 ZINC001405891622 903247086 /nfs/dbraw/zinc/24/70/86/903247086.db2.gz SDGMXMAKVOPJIG-UONOGXRCSA-N 2 2 299.415 -0.472 20 0 CBADLP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2C[NH+](CCCO)CCO2)C1 ZINC001405891622 903247098 /nfs/dbraw/zinc/24/70/98/903247098.db2.gz SDGMXMAKVOPJIG-UONOGXRCSA-N 2 2 299.415 -0.472 20 0 CBADLP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@H+](CCCO)CCO2)C1 ZINC001405891622 903247106 /nfs/dbraw/zinc/24/71/06/903247106.db2.gz SDGMXMAKVOPJIG-UONOGXRCSA-N 2 2 299.415 -0.472 20 0 CBADLP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@@H+](CCCO)CCO2)C1 ZINC001405891622 903247116 /nfs/dbraw/zinc/24/71/16/903247116.db2.gz SDGMXMAKVOPJIG-UONOGXRCSA-N 2 2 299.415 -0.472 20 0 CBADLP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)CC[N@H+](C)CC(N)=O ZINC001406179377 903284812 /nfs/dbraw/zinc/28/48/12/903284812.db2.gz WMUZZAZAYJMNMN-RYUDHWBXSA-N 2 2 284.404 -0.265 20 0 CBADLP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)CC[N@@H+](C)CC(N)=O ZINC001406179377 903284821 /nfs/dbraw/zinc/28/48/21/903284821.db2.gz WMUZZAZAYJMNMN-RYUDHWBXSA-N 2 2 284.404 -0.265 20 0 CBADLP Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CCC[N@H+]2C)o1 ZINC001406197753 903294711 /nfs/dbraw/zinc/29/47/11/903294711.db2.gz AINKUDFKAVVQPC-MNOVXSKESA-N 2 2 297.359 -0.961 20 0 CBADLP Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CCC[N@@H+]2C)o1 ZINC001406197753 903294724 /nfs/dbraw/zinc/29/47/24/903294724.db2.gz AINKUDFKAVVQPC-MNOVXSKESA-N 2 2 297.359 -0.961 20 0 CBADLP C[C@H](CC[NH2+][C@@H]1CCNC1=O)NC(=O)CCc1c[nH]c[nH+]1 ZINC001406293064 903341714 /nfs/dbraw/zinc/34/17/14/903341714.db2.gz BBUYVNJTNVMMIK-ZYHUDNBSSA-N 2 2 293.371 -0.285 20 0 CBADLP C[C@H](CC[NH2+][C@@H]1CCNC1=O)NC(=O)CCc1c[nH+]c[nH]1 ZINC001406293064 903341727 /nfs/dbraw/zinc/34/17/27/903341727.db2.gz BBUYVNJTNVMMIK-ZYHUDNBSSA-N 2 2 293.371 -0.285 20 0 CBADLP CCN(CC[NH2+][C@@H](C)C(N)=O)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001406329261 903358820 /nfs/dbraw/zinc/35/88/20/903358820.db2.gz PPKPZEYIGCMUJP-HBNTYKKESA-N 2 2 293.371 -0.175 20 0 CBADLP Cc1cn(C(C)(C)C(=O)N[C@H](C)C[NH2+][C@H](C)C(N)=O)c[nH+]1 ZINC001406360086 903373296 /nfs/dbraw/zinc/37/32/96/903373296.db2.gz AIDZXBVLGKSFLP-MWLCHTKSSA-N 2 2 295.387 -0.105 20 0 CBADLP C[C@H](C[NH2+]CC(=O)N1CCCC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001406413422 903394345 /nfs/dbraw/zinc/39/43/45/903394345.db2.gz XCQBJVALRAXXIW-LLVKDONJSA-N 2 2 293.371 -0.331 20 0 CBADLP CCN1CC[C@H]([NH2+]C[C@@H](C)NC(=O)Cn2cc[nH+]c2)C1=O ZINC001406436339 903399849 /nfs/dbraw/zinc/39/98/49/903399849.db2.gz ZXFNCIVBDBBXIK-NEPJUHHUSA-N 2 2 293.371 -0.402 20 0 CBADLP CC(C)NC(=O)C[NH2+]C[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001406426529 903399932 /nfs/dbraw/zinc/39/99/32/903399932.db2.gz BLMXWSOTLIWCJS-LLVKDONJSA-N 2 2 281.360 -0.498 20 0 CBADLP C[C@@H](C[NH2+][C@H]1CCCNC1=O)NC(=O)Cn1cc[nH+]c1 ZINC001406570139 903435697 /nfs/dbraw/zinc/43/56/97/903435697.db2.gz JRDYFVRGOMJMGW-QWRGUYRKSA-N 2 2 279.344 -0.744 20 0 CBADLP C[C@H](C[N@H+](C)CCO)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001406660640 903456818 /nfs/dbraw/zinc/45/68/18/903456818.db2.gz GWQFTGBRXOQWRJ-IJLUTSLNSA-N 2 2 280.372 -0.048 20 0 CBADLP C[C@H](C[N@@H+](C)CCO)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001406660640 903456825 /nfs/dbraw/zinc/45/68/25/903456825.db2.gz GWQFTGBRXOQWRJ-IJLUTSLNSA-N 2 2 280.372 -0.048 20 0 CBADLP C[C@@H](C[N@H+](C)CCO)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001406660648 903458642 /nfs/dbraw/zinc/45/86/42/903458642.db2.gz GWQFTGBRXOQWRJ-QJPTWQEYSA-N 2 2 280.372 -0.048 20 0 CBADLP C[C@@H](C[N@@H+](C)CCO)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001406660648 903458651 /nfs/dbraw/zinc/45/86/51/903458651.db2.gz GWQFTGBRXOQWRJ-QJPTWQEYSA-N 2 2 280.372 -0.048 20 0 CBADLP C[C@H](CC(=O)N[C@@H](C[NH2+]CC(N)=O)C1CC1)n1cc[nH+]c1 ZINC001406785272 903478425 /nfs/dbraw/zinc/47/84/25/903478425.db2.gz ROEMLAZCGFUZAG-PWSUYJOCSA-N 2 2 293.371 -0.196 20 0 CBADLP C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001406866800 903496034 /nfs/dbraw/zinc/49/60/34/903496034.db2.gz QXUKLROWSJJMCF-VXGBXAGGSA-N 2 2 284.404 -0.395 20 0 CBADLP C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001406866800 903496044 /nfs/dbraw/zinc/49/60/44/903496044.db2.gz QXUKLROWSJJMCF-VXGBXAGGSA-N 2 2 284.404 -0.395 20 0 CBADLP CN(C)C(=O)C[NH2+]C1(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001406969584 903520834 /nfs/dbraw/zinc/52/08/34/903520834.db2.gz CTZNFOYDWCXHPE-UHFFFAOYSA-N 2 2 279.344 -0.721 20 0 CBADLP C[C@H]([NH2+]C1(CNC(=O)Cc2c[nH]c[nH+]2)CC1)C(=O)N(C)C ZINC001406982258 903522176 /nfs/dbraw/zinc/52/21/76/903522176.db2.gz ZGBXQCYFFCDZLZ-JTQLQIEISA-N 2 2 293.371 -0.333 20 0 CBADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C[NH2+]CC(N)=O ZINC001407106646 903545966 /nfs/dbraw/zinc/54/59/66/903545966.db2.gz CZDICQBEIGGJRU-JQWIXIFHSA-N 2 2 293.371 -0.346 20 0 CBADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C[NH2+]CC(N)=O ZINC001407106646 903545971 /nfs/dbraw/zinc/54/59/71/903545971.db2.gz CZDICQBEIGGJRU-JQWIXIFHSA-N 2 2 293.371 -0.346 20 0 CBADLP COC[C@H](C)[N@@H+]1CC[C@](O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001407349988 903575577 /nfs/dbraw/zinc/57/55/77/903575577.db2.gz JOZXAFVXMXWBCH-FZMZJTMJSA-N 2 2 296.371 -0.460 20 0 CBADLP COC[C@H](C)[N@H+]1CC[C@](O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001407349988 903575586 /nfs/dbraw/zinc/57/55/86/903575586.db2.gz JOZXAFVXMXWBCH-FZMZJTMJSA-N 2 2 296.371 -0.460 20 0 CBADLP CC[N@@H+]1CC[C@@](O)(CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001407369634 903584594 /nfs/dbraw/zinc/58/45/94/903584594.db2.gz GDDGBJGNKCLESM-CQSZACIVSA-N 2 2 296.371 -0.077 20 0 CBADLP CC[N@H+]1CC[C@@](O)(CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001407369634 903584600 /nfs/dbraw/zinc/58/46/00/903584600.db2.gz GDDGBJGNKCLESM-CQSZACIVSA-N 2 2 296.371 -0.077 20 0 CBADLP CC[N@@H+]1CC[C@](O)(CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001407369631 903585002 /nfs/dbraw/zinc/58/50/02/903585002.db2.gz GDDGBJGNKCLESM-AWEZNQCLSA-N 2 2 296.371 -0.077 20 0 CBADLP CC[N@H+]1CC[C@](O)(CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001407369631 903585015 /nfs/dbraw/zinc/58/50/15/903585015.db2.gz GDDGBJGNKCLESM-AWEZNQCLSA-N 2 2 296.371 -0.077 20 0 CBADLP C[C@@H](O)C[NH+]1CC(O)(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001407426328 903605564 /nfs/dbraw/zinc/60/55/64/903605564.db2.gz BTZSWDXCQHDFOS-GFCCVEGCSA-N 2 2 299.415 -0.596 20 0 CBADLP C[N@H+](CC(=O)NC[C@@H]1C[NH+](CCO)CCO1)C1CCC1 ZINC001407488645 903620096 /nfs/dbraw/zinc/62/00/96/903620096.db2.gz KAABHHGHZGGNPN-CYBMUJFWSA-N 2 2 285.388 -0.720 20 0 CBADLP C[N@@H+](CC(=O)NC[C@@H]1C[NH+](CCO)CCO1)C1CCC1 ZINC001407488645 903620103 /nfs/dbraw/zinc/62/01/03/903620103.db2.gz KAABHHGHZGGNPN-CYBMUJFWSA-N 2 2 285.388 -0.720 20 0 CBADLP C[NH+](CC(=O)NC[C@@H]1C[N@@H+](CCO)CCO1)C1CCC1 ZINC001407488645 903620119 /nfs/dbraw/zinc/62/01/19/903620119.db2.gz KAABHHGHZGGNPN-CYBMUJFWSA-N 2 2 285.388 -0.720 20 0 CBADLP CNC(=O)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001407537732 903625142 /nfs/dbraw/zinc/62/51/42/903625142.db2.gz HVLZGZAEPKXFRD-VXGBXAGGSA-N 2 2 293.371 -0.544 20 0 CBADLP C[NH+](C)CCC(=O)N1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001407560512 903628829 /nfs/dbraw/zinc/62/88/29/903628829.db2.gz NHFLVAXJGRKDMR-LLVKDONJSA-N 2 2 293.371 -0.379 20 0 CBADLP O=C(CCn1cc[nH+]c1)N1CCC[C@](CO)([NH2+]CCO)C1 ZINC001408038435 903695331 /nfs/dbraw/zinc/69/53/31/903695331.db2.gz MTDJOMRUXYSNBC-AWEZNQCLSA-N 2 2 296.371 -0.791 20 0 CBADLP C[NH+](C)CCC(=O)N1CC(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001409155063 903861182 /nfs/dbraw/zinc/86/11/82/903861182.db2.gz GAEWQAUZCLUZQE-UHFFFAOYSA-N 2 2 293.371 -0.591 20 0 CBADLP C[C@@H]([NH2+]CC1CC(NC(=O)Cc2[nH]cc[nH+]2)C1)C(N)=O ZINC001409284624 903878142 /nfs/dbraw/zinc/87/81/42/903878142.db2.gz QKDLNSHLYMXLMB-XNWIYYODSA-N 2 2 279.344 -0.690 20 0 CBADLP CCN(C)C(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001409449901 903902717 /nfs/dbraw/zinc/90/27/17/903902717.db2.gz DOTHYMBCCWVNOE-VXGBXAGGSA-N 2 2 295.387 -0.156 20 0 CBADLP C[C@H](CN(C)C(=O)CCn1cc[nH+]c1)[NH2+][C@@H]1CCNC1=O ZINC001410420700 904096067 /nfs/dbraw/zinc/09/60/67/904096067.db2.gz JORUUSRWEFOFQP-VXGBXAGGSA-N 2 2 293.371 -0.402 20 0 CBADLP NC(=O)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001410928875 904206487 /nfs/dbraw/zinc/20/64/87/904206487.db2.gz AOGILTOTRCBZBP-NXEZZACHSA-N 2 2 279.344 -0.688 20 0 CBADLP CC[N@@H+]1CC[C@@H]1C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC001412532187 904609952 /nfs/dbraw/zinc/60/99/52/904609952.db2.gz LHBDFHGGMLEEMZ-GFCCVEGCSA-N 2 2 282.388 -0.639 20 0 CBADLP CC[N@H+]1CC[C@@H]1C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC001412532187 904609960 /nfs/dbraw/zinc/60/99/60/904609960.db2.gz LHBDFHGGMLEEMZ-GFCCVEGCSA-N 2 2 282.388 -0.639 20 0 CBADLP CNC(=O)C[N@@H+]1CCCN(C(=O)C2([NH+](C)C)CC2)CC1 ZINC001412662615 904657489 /nfs/dbraw/zinc/65/74/89/904657489.db2.gz JAHLCIUFGUJRNI-UHFFFAOYSA-N 2 2 282.388 -0.639 20 0 CBADLP CNC(=O)C[N@H+]1CCCN(C(=O)C2([NH+](C)C)CC2)CC1 ZINC001412662615 904657495 /nfs/dbraw/zinc/65/74/95/904657495.db2.gz JAHLCIUFGUJRNI-UHFFFAOYSA-N 2 2 282.388 -0.639 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NCCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001415518678 905635863 /nfs/dbraw/zinc/63/58/63/905635863.db2.gz DVOCRODXHUMXRX-UHFFFAOYSA-N 2 2 295.387 -0.133 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NCCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001415518678 905635875 /nfs/dbraw/zinc/63/58/75/905635875.db2.gz DVOCRODXHUMXRX-UHFFFAOYSA-N 2 2 295.387 -0.133 20 0 CBADLP CN(C)C(=O)C[NH2+][C@H]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001418059030 906155359 /nfs/dbraw/zinc/15/53/59/906155359.db2.gz OBSUCOXEHUNDRV-HAQNSBGRSA-N 2 2 293.371 -0.333 20 0 CBADLP CN(C)C(=O)C[NH2+][C@H]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001418059030 906155370 /nfs/dbraw/zinc/15/53/70/906155370.db2.gz OBSUCOXEHUNDRV-HAQNSBGRSA-N 2 2 293.371 -0.333 20 0 CBADLP NC(=O)C[N@@H+]1CCC[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001418122697 906176904 /nfs/dbraw/zinc/17/69/04/906176904.db2.gz GRZCHMVOQATFSO-GFCCVEGCSA-N 2 2 293.371 -0.413 20 0 CBADLP NC(=O)C[N@H+]1CCC[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001418122697 906176912 /nfs/dbraw/zinc/17/69/12/906176912.db2.gz GRZCHMVOQATFSO-GFCCVEGCSA-N 2 2 293.371 -0.413 20 0 CBADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CCN1CCCC1=O ZINC001418291577 906261284 /nfs/dbraw/zinc/26/12/84/906261284.db2.gz MQTZVTKHSDLRFN-LLVKDONJSA-N 2 2 293.371 -0.331 20 0 CBADLP CC(C)CNC(=O)C[N@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001418489503 906366702 /nfs/dbraw/zinc/36/67/02/906366702.db2.gz RRNGAOXQDOOMJN-CYBMUJFWSA-N 2 2 298.431 -0.099 20 0 CBADLP CC(C)CNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001418489503 906366713 /nfs/dbraw/zinc/36/67/13/906366713.db2.gz RRNGAOXQDOOMJN-CYBMUJFWSA-N 2 2 298.431 -0.099 20 0 CBADLP CC(C)CNC(=O)C[NH+](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001418489503 906366730 /nfs/dbraw/zinc/36/67/30/906366730.db2.gz RRNGAOXQDOOMJN-CYBMUJFWSA-N 2 2 298.431 -0.099 20 0 CBADLP CC(C)CNC(=O)C[NH+](C)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001418489503 906366747 /nfs/dbraw/zinc/36/67/47/906366747.db2.gz RRNGAOXQDOOMJN-CYBMUJFWSA-N 2 2 298.431 -0.099 20 0 CBADLP CC(C)NC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+](C)C ZINC001418597549 906418618 /nfs/dbraw/zinc/41/86/18/906418618.db2.gz KJHPTQWJDHIDNB-CYBMUJFWSA-N 2 2 298.431 -0.005 20 0 CBADLP CC(C)NC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+](C)C ZINC001418597549 906418623 /nfs/dbraw/zinc/41/86/23/906418623.db2.gz KJHPTQWJDHIDNB-CYBMUJFWSA-N 2 2 298.431 -0.005 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001418635274 906433762 /nfs/dbraw/zinc/43/37/62/906433762.db2.gz AKSHOMRFOOTAKH-NEPJUHHUSA-N 2 2 293.371 -0.402 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001418635274 906433776 /nfs/dbraw/zinc/43/37/76/906433776.db2.gz AKSHOMRFOOTAKH-NEPJUHHUSA-N 2 2 293.371 -0.402 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001418647382 906438672 /nfs/dbraw/zinc/43/86/72/906438672.db2.gz KQIKYZDNDZNAHL-OUAUKWLOSA-N 2 2 291.355 -0.675 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001418666063 906444068 /nfs/dbraw/zinc/44/40/68/906444068.db2.gz KGPXGQKBECCHLG-SDDRHHMPSA-N 2 2 293.371 -0.498 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001418692591 906448715 /nfs/dbraw/zinc/44/87/15/906448715.db2.gz UWABEOVPOPUNAM-GFCCVEGCSA-N 2 2 293.371 -0.543 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001418692591 906448724 /nfs/dbraw/zinc/44/87/24/906448724.db2.gz UWABEOVPOPUNAM-GFCCVEGCSA-N 2 2 293.371 -0.543 20 0 CBADLP CNC(=O)C[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)C1CC1 ZINC001418764356 906465828 /nfs/dbraw/zinc/46/58/28/906465828.db2.gz CBUTWGCGWLXERL-GFCCVEGCSA-N 2 2 282.388 -0.593 20 0 CBADLP CNC(=O)C[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)C1CC1 ZINC001418764356 906465841 /nfs/dbraw/zinc/46/58/41/906465841.db2.gz CBUTWGCGWLXERL-GFCCVEGCSA-N 2 2 282.388 -0.593 20 0 CBADLP CNC(=O)C[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001418764356 906465851 /nfs/dbraw/zinc/46/58/51/906465851.db2.gz CBUTWGCGWLXERL-GFCCVEGCSA-N 2 2 282.388 -0.593 20 0 CBADLP CNC(=O)C[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001418764356 906465860 /nfs/dbraw/zinc/46/58/60/906465860.db2.gz CBUTWGCGWLXERL-GFCCVEGCSA-N 2 2 282.388 -0.593 20 0 CBADLP CCN1CC[C@@H]([NH2+]CCN(C)C(=O)Cc2[nH]cc[nH+]2)C1=O ZINC001418822910 906490162 /nfs/dbraw/zinc/49/01/62/906490162.db2.gz CAGRTYMYKLZTTJ-LLVKDONJSA-N 2 2 293.371 -0.379 20 0 CBADLP CC[C@@H]([NH2+]CCN(C)C(=O)CCn1cc[nH+]c1)C(N)=O ZINC001418820091 906490198 /nfs/dbraw/zinc/49/01/98/906490198.db2.gz FLBCNQYMNUVMJB-LLVKDONJSA-N 2 2 281.360 -0.415 20 0 CBADLP C[NH+](C)CCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(N)=O ZINC001418849497 906498027 /nfs/dbraw/zinc/49/80/27/906498027.db2.gz RJZIMNIZFJWHQS-TXEJJXNPSA-N 2 2 282.388 -0.511 20 0 CBADLP C[NH+](C)CCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(N)=O ZINC001418849497 906498036 /nfs/dbraw/zinc/49/80/36/906498036.db2.gz RJZIMNIZFJWHQS-TXEJJXNPSA-N 2 2 282.388 -0.511 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001418904632 906510276 /nfs/dbraw/zinc/51/02/76/906510276.db2.gz GRXBIFHKOKPVFV-QWRGUYRKSA-N 2 2 293.371 -0.346 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CC[C@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001418904632 906510291 /nfs/dbraw/zinc/51/02/91/906510291.db2.gz GRXBIFHKOKPVFV-QWRGUYRKSA-N 2 2 293.371 -0.346 20 0 CBADLP CC[C@@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)[NH2+]CC(N)=O ZINC001419199165 906636998 /nfs/dbraw/zinc/63/69/98/906636998.db2.gz CNDXKUBGNYSPQB-MNOVXSKESA-N 2 2 293.371 -0.585 20 0 CBADLP CC[C@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)[NH2+]CC(N)=O ZINC001419199163 906637326 /nfs/dbraw/zinc/63/73/26/906637326.db2.gz CNDXKUBGNYSPQB-GHMZBOCLSA-N 2 2 293.371 -0.585 20 0 CBADLP CC[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1nnn(C)n1 ZINC001419223825 906640685 /nfs/dbraw/zinc/64/06/85/906640685.db2.gz QWFYHDLSZRFVND-SNVBAGLBSA-N 2 2 283.380 -0.854 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]([NH2+]CC(N)=O)C1CC1 ZINC001419289068 906660142 /nfs/dbraw/zinc/66/01/42/906660142.db2.gz AUDDFMAIFCOWIK-BXKDBHETSA-N 2 2 293.371 -0.442 20 0 CBADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]([NH2+]CC(N)=O)C1CC1 ZINC001419289068 906660147 /nfs/dbraw/zinc/66/01/47/906660147.db2.gz AUDDFMAIFCOWIK-BXKDBHETSA-N 2 2 293.371 -0.442 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NC[C@H]1C[NH+](CCCO)CCO1 ZINC001419577134 906732452 /nfs/dbraw/zinc/73/24/52/906732452.db2.gz COMKWFPRQGTMAG-ZDUSSCGKSA-N 2 2 287.404 -0.474 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NC[C@H]1C[NH+](CCCO)CCO1 ZINC001419577134 906732463 /nfs/dbraw/zinc/73/24/63/906732463.db2.gz COMKWFPRQGTMAG-ZDUSSCGKSA-N 2 2 287.404 -0.474 20 0 CBADLP CC(C)[NH+](C)CC(=O)NC[C@H]1C[N@H+](CCCO)CCO1 ZINC001419577134 906732472 /nfs/dbraw/zinc/73/24/72/906732472.db2.gz COMKWFPRQGTMAG-ZDUSSCGKSA-N 2 2 287.404 -0.474 20 0 CBADLP CC(C)[NH+](C)CC(=O)NC[C@H]1C[N@@H+](CCCO)CCO1 ZINC001419577134 906732481 /nfs/dbraw/zinc/73/24/81/906732481.db2.gz COMKWFPRQGTMAG-ZDUSSCGKSA-N 2 2 287.404 -0.474 20 0 CBADLP C[N@H+](CC(=O)NC[C@@H]1CCCC[NH+]1CC(N)=O)C1CCC1 ZINC001419604607 906743202 /nfs/dbraw/zinc/74/32/02/906743202.db2.gz YPDFDJDVKSNQSZ-ZDUSSCGKSA-N 2 2 296.415 -0.073 20 0 CBADLP C[N@@H+](CC(=O)NC[C@@H]1CCCC[NH+]1CC(N)=O)C1CCC1 ZINC001419604607 906743213 /nfs/dbraw/zinc/74/32/13/906743213.db2.gz YPDFDJDVKSNQSZ-ZDUSSCGKSA-N 2 2 296.415 -0.073 20 0 CBADLP C[NH+](CC(=O)NC[C@@H]1CCCC[N@@H+]1CC(N)=O)C1CCC1 ZINC001419604607 906743221 /nfs/dbraw/zinc/74/32/21/906743221.db2.gz YPDFDJDVKSNQSZ-ZDUSSCGKSA-N 2 2 296.415 -0.073 20 0 CBADLP C[NH+](CC(=O)NC[C@@H]1CCCC[N@H+]1CC(N)=O)C1CCC1 ZINC001419604607 906743232 /nfs/dbraw/zinc/74/32/32/906743232.db2.gz YPDFDJDVKSNQSZ-ZDUSSCGKSA-N 2 2 296.415 -0.073 20 0 CBADLP C[C@@H](C[NH2+][C@@H]1CCNC1=O)N(C)C(=O)CCn1cc[nH+]c1 ZINC001419683600 906763881 /nfs/dbraw/zinc/76/38/81/906763881.db2.gz FLBUNEBOHUDLHR-NWDGAFQWSA-N 2 2 293.371 -0.402 20 0 CBADLP Cc1cc(C[NH2+][C@@H](C)CNC(=O)[C@H]2C[N@H+](C)CCO2)on1 ZINC001419719753 906783505 /nfs/dbraw/zinc/78/35/05/906783505.db2.gz QGHIJSBCSAVNAY-WCQYABFASA-N 2 2 296.371 -0.092 20 0 CBADLP Cc1cc(C[NH2+][C@@H](C)CNC(=O)[C@H]2C[N@@H+](C)CCO2)on1 ZINC001419719753 906783517 /nfs/dbraw/zinc/78/35/17/906783517.db2.gz QGHIJSBCSAVNAY-WCQYABFASA-N 2 2 296.371 -0.092 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]Cc1cnn(C)n1 ZINC001419767830 906811143 /nfs/dbraw/zinc/81/11/43/906811143.db2.gz DCGCADBSBNKYCG-YPMHNXCESA-N 2 2 294.403 -0.106 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]Cc1cnn(C)n1 ZINC001419767830 906811161 /nfs/dbraw/zinc/81/11/61/906811161.db2.gz DCGCADBSBNKYCG-YPMHNXCESA-N 2 2 294.403 -0.106 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1nncn1C ZINC001419781433 906816040 /nfs/dbraw/zinc/81/60/40/906816040.db2.gz XBMWQPHBVQKUMS-NWDGAFQWSA-N 2 2 294.403 -0.106 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)[NH2+]Cc1nncn1C ZINC001419781433 906816055 /nfs/dbraw/zinc/81/60/55/906816055.db2.gz XBMWQPHBVQKUMS-NWDGAFQWSA-N 2 2 294.403 -0.106 20 0 CBADLP C[C@@H](CNC(=O)c1cc(C[NH+](C)C)on1)[NH2+][C@@H](C)C(N)=O ZINC001419802311 906820039 /nfs/dbraw/zinc/82/00/39/906820039.db2.gz WCHNNULYEOUZMY-IUCAKERBSA-N 2 2 297.359 -0.682 20 0 CBADLP C[C@@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]Cc1cn(C)nn1 ZINC001419825250 906823619 /nfs/dbraw/zinc/82/36/19/906823619.db2.gz DXHDVMHTQMROQS-NSHDSACASA-N 2 2 291.359 -0.304 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)[NH2+]CCO ZINC001419838040 906832167 /nfs/dbraw/zinc/83/21/67/906832167.db2.gz OSTFPVPWYWXXQK-OCCSQVGLSA-N 2 2 299.415 -0.284 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)[NH2+]CCO ZINC001419838040 906832177 /nfs/dbraw/zinc/83/21/77/906832177.db2.gz OSTFPVPWYWXXQK-OCCSQVGLSA-N 2 2 299.415 -0.284 20 0 CBADLP CC(C)[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@H]1CCNC1=O ZINC001419923156 906858187 /nfs/dbraw/zinc/85/81/87/906858187.db2.gz RLVRXSIFWYOZPV-WDEREUQCSA-N 2 2 293.371 -0.429 20 0 CBADLP CC(C)[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@H]1CCNC1=O ZINC001419923153 906859418 /nfs/dbraw/zinc/85/94/18/906859418.db2.gz RLVRXSIFWYOZPV-QWRGUYRKSA-N 2 2 293.371 -0.429 20 0 CBADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1nccn1C ZINC001419956411 906875257 /nfs/dbraw/zinc/87/52/57/906875257.db2.gz NIKLOPNVOIXURU-NSHDSACASA-N 2 2 276.344 -0.089 20 0 CBADLP CN(CC[N@H+](C)CC(N)=O)C(=O)[C@@H]1CCCC[NH+]1C ZINC001419973689 906880071 /nfs/dbraw/zinc/88/00/71/906880071.db2.gz UNMMEZFVGVOFFL-NSHDSACASA-N 2 2 270.377 -0.654 20 0 CBADLP CN(CC[N@@H+](C)CC(N)=O)C(=O)[C@@H]1CCCC[NH+]1C ZINC001419973689 906880090 /nfs/dbraw/zinc/88/00/90/906880090.db2.gz UNMMEZFVGVOFFL-NSHDSACASA-N 2 2 270.377 -0.654 20 0 CBADLP CN(CC[NH+](C)CC(N)=O)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001419973689 906880125 /nfs/dbraw/zinc/88/01/25/906880125.db2.gz UNMMEZFVGVOFFL-NSHDSACASA-N 2 2 270.377 -0.654 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]Cc1csnn1 ZINC001420111032 906946372 /nfs/dbraw/zinc/94/63/72/906946372.db2.gz NRCBULWGHIXKQG-MNOVXSKESA-N 2 2 299.400 -0.801 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]Cc1csnn1 ZINC001420111032 906946382 /nfs/dbraw/zinc/94/63/82/906946382.db2.gz NRCBULWGHIXKQG-MNOVXSKESA-N 2 2 299.400 -0.801 20 0 CBADLP CNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001420149288 906969379 /nfs/dbraw/zinc/96/93/79/906969379.db2.gz SIQHFWUACZIVKX-WDEREUQCSA-N 2 2 295.387 -0.181 20 0 CBADLP CNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001420149288 906969394 /nfs/dbraw/zinc/96/93/94/906969394.db2.gz SIQHFWUACZIVKX-WDEREUQCSA-N 2 2 295.387 -0.181 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H](O)C[NH2+]Cc1cncs1 ZINC001420190860 907002163 /nfs/dbraw/zinc/00/21/63/907002163.db2.gz ZZZFCQBUFTTWTR-VIFPVBQESA-N 2 2 295.368 -0.324 20 0 CBADLP C[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)CC(=O)NC1CC1 ZINC001420193109 907005980 /nfs/dbraw/zinc/00/59/80/907005980.db2.gz RTILUFTYOYKKCN-LBPRGKRZSA-N 2 2 282.388 -0.593 20 0 CBADLP C[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)CC(=O)NC1CC1 ZINC001420193109 907005995 /nfs/dbraw/zinc/00/59/95/907005995.db2.gz RTILUFTYOYKKCN-LBPRGKRZSA-N 2 2 282.388 -0.593 20 0 CBADLP C[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)CC(=O)NC1CC1 ZINC001420193109 907006012 /nfs/dbraw/zinc/00/60/12/907006012.db2.gz RTILUFTYOYKKCN-LBPRGKRZSA-N 2 2 282.388 -0.593 20 0 CBADLP C[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)CC(=O)NC1CC1 ZINC001420193109 907006029 /nfs/dbraw/zinc/00/60/29/907006029.db2.gz RTILUFTYOYKKCN-LBPRGKRZSA-N 2 2 282.388 -0.593 20 0 CBADLP CC[C@@H]([NH2+]CCN(CC)C(=O)Cc1c[nH+]c[nH]1)C(N)=O ZINC001420232604 907032981 /nfs/dbraw/zinc/03/29/81/907032981.db2.gz GRFYEZZMOXXQHF-LLVKDONJSA-N 2 2 281.360 -0.346 20 0 CBADLP CCN(CC[NH2+][C@H](C)C(N)=O)C(=O)Cc1c[nH+]cn1C ZINC001420238498 907037301 /nfs/dbraw/zinc/03/73/01/907037301.db2.gz DJQLVPDGNZPCRK-SNVBAGLBSA-N 2 2 281.360 -0.726 20 0 CBADLP C[C@H](CC[NH2+][C@H]1CCNC1=O)NC(=O)Cc1c[nH+]cn1C ZINC001420238627 907039164 /nfs/dbraw/zinc/03/91/64/907039164.db2.gz QYOOIEUOSYYERV-PWSUYJOCSA-N 2 2 293.371 -0.665 20 0 CBADLP CCC[N@@H+]1CCC[C@H](C(=O)NCC[NH+](C)CC(N)=O)C1 ZINC001420288553 907072723 /nfs/dbraw/zinc/07/27/23/907072723.db2.gz SXALWXLNAVUDHQ-LBPRGKRZSA-N 2 2 284.404 -0.358 20 0 CBADLP CCC[N@H+]1CCC[C@H](C(=O)NCC[NH+](C)CC(N)=O)C1 ZINC001420288553 907072741 /nfs/dbraw/zinc/07/27/41/907072741.db2.gz SXALWXLNAVUDHQ-LBPRGKRZSA-N 2 2 284.404 -0.358 20 0 CBADLP CCC[NH+]1CCC[C@H](C(=O)NCC[N@H+](C)CC(N)=O)C1 ZINC001420288553 907072758 /nfs/dbraw/zinc/07/27/58/907072758.db2.gz SXALWXLNAVUDHQ-LBPRGKRZSA-N 2 2 284.404 -0.358 20 0 CBADLP CCC[NH+]1CCC[C@H](C(=O)NCC[N@@H+](C)CC(N)=O)C1 ZINC001420288553 907072773 /nfs/dbraw/zinc/07/27/73/907072773.db2.gz SXALWXLNAVUDHQ-LBPRGKRZSA-N 2 2 284.404 -0.358 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001420341518 907108148 /nfs/dbraw/zinc/10/81/48/907108148.db2.gz HWFBTOAALVTWAI-GMTAPVOTSA-N 2 2 293.371 -0.636 20 0 CBADLP CNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001420335360 907110003 /nfs/dbraw/zinc/11/00/03/907110003.db2.gz UKTQTNPDVVVXRJ-CHWSQXEVSA-N 2 2 298.431 -0.099 20 0 CBADLP CNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001420335360 907110012 /nfs/dbraw/zinc/11/00/12/907110012.db2.gz UKTQTNPDVVVXRJ-CHWSQXEVSA-N 2 2 298.431 -0.099 20 0 CBADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC[N@H+](C)CC(N)=O ZINC001420349780 907113558 /nfs/dbraw/zinc/11/35/58/907113558.db2.gz LEFXZWXAVBQBDP-GHMZBOCLSA-N 2 2 270.377 -0.608 20 0 CBADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC[N@@H+](C)CC(N)=O ZINC001420349780 907113566 /nfs/dbraw/zinc/11/35/66/907113566.db2.gz LEFXZWXAVBQBDP-GHMZBOCLSA-N 2 2 270.377 -0.608 20 0 CBADLP CCNC(=O)C[N@H+](C)CCNC(=O)Cn1cc[nH+]c1C ZINC001420348327 907113736 /nfs/dbraw/zinc/11/37/36/907113736.db2.gz SQSUKFUERKEUQG-UHFFFAOYSA-N 2 2 281.360 -0.624 20 0 CBADLP CCNC(=O)C[N@@H+](C)CCNC(=O)Cn1cc[nH+]c1C ZINC001420348327 907113746 /nfs/dbraw/zinc/11/37/46/907113746.db2.gz SQSUKFUERKEUQG-UHFFFAOYSA-N 2 2 281.360 -0.624 20 0 CBADLP CC(C)[C@H](C(=O)NCC[N@H+](C)CC(=O)N(C)C)[NH+](C)C ZINC001420344293 907114379 /nfs/dbraw/zinc/11/43/79/907114379.db2.gz UZTGHVUCVZVYHZ-CYBMUJFWSA-N 2 2 286.420 -0.291 20 0 CBADLP CC(C)[C@H](C(=O)NCC[N@@H+](C)CC(=O)N(C)C)[NH+](C)C ZINC001420344293 907114394 /nfs/dbraw/zinc/11/43/94/907114394.db2.gz UZTGHVUCVZVYHZ-CYBMUJFWSA-N 2 2 286.420 -0.291 20 0 CBADLP C[C@H](C[NH2+]CC(=O)NC1CC1)NC(=O)Cn1cc[nH+]c1 ZINC001420385526 907132443 /nfs/dbraw/zinc/13/24/43/907132443.db2.gz GSXOCFITOAYCCY-SNVBAGLBSA-N 2 2 279.344 -0.744 20 0 CBADLP CCCNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001420386882 907133757 /nfs/dbraw/zinc/13/37/57/907133757.db2.gz KKJCCEVKVFQRQH-NEPJUHHUSA-N 2 2 295.387 -0.108 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NC[C@H]1CCC[N@H+]1[C@H](C)C(N)=O ZINC001420467709 907175264 /nfs/dbraw/zinc/17/52/64/907175264.db2.gz KDBZOMQCEZZVQH-VXGBXAGGSA-N 2 2 293.371 -0.354 20 0 CBADLP C[C@@H](C[NH2+]Cc1cnn(C)c1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001420478949 907177927 /nfs/dbraw/zinc/17/79/27/907177927.db2.gz PGWVXUNNVCKFKL-JTQLQIEISA-N 2 2 276.344 -0.020 20 0 CBADLP CCN(C)C(=O)C[NH2+]C[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001420500976 907182659 /nfs/dbraw/zinc/18/26/59/907182659.db2.gz PYEFPYPKOKOAGO-JTQLQIEISA-N 2 2 295.387 -0.167 20 0 CBADLP CC[C@H]([NH2+]CCN(C)C(=O)CCc1[nH+]ccn1C)C(N)=O ZINC001420726000 907282105 /nfs/dbraw/zinc/28/21/05/907282105.db2.gz GBKWGLIXMOCUFK-NSHDSACASA-N 2 2 295.387 -0.335 20 0 CBADLP CCNC(=O)C[NH2+]C[C@H](NC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001420796970 907303494 /nfs/dbraw/zinc/30/34/94/907303494.db2.gz KKPKKLLFVPFITG-LBPRGKRZSA-N 2 2 293.371 -0.496 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001420831466 907318673 /nfs/dbraw/zinc/31/86/73/907318673.db2.gz FFAUPEXAKFVWSU-WCQYABFASA-N 2 2 296.415 -0.204 20 0 CBADLP CNC(=O)[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001420831466 907318693 /nfs/dbraw/zinc/31/86/93/907318693.db2.gz FFAUPEXAKFVWSU-WCQYABFASA-N 2 2 296.415 -0.204 20 0 CBADLP CNC(=O)[C@H](C)[NH+]1CC[C@@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001420831466 907318711 /nfs/dbraw/zinc/31/87/11/907318711.db2.gz FFAUPEXAKFVWSU-WCQYABFASA-N 2 2 296.415 -0.204 20 0 CBADLP CNC(=O)[C@H](C)[NH+]1CC[C@@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001420831466 907318733 /nfs/dbraw/zinc/31/87/33/907318733.db2.gz FFAUPEXAKFVWSU-WCQYABFASA-N 2 2 296.415 -0.204 20 0 CBADLP CN(C)C(=O)C[NH2+]C1(CNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001420992868 907388122 /nfs/dbraw/zinc/38/81/22/907388122.db2.gz FZVDZHAKCLQJNI-UHFFFAOYSA-N 2 2 293.371 -0.711 20 0 CBADLP CC[C@@H]([NH2+]C[C@@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1)C(N)=O ZINC001421131045 907438066 /nfs/dbraw/zinc/43/80/66/907438066.db2.gz AQCRLHWRWSIASS-NWDGAFQWSA-N 2 2 293.371 -0.203 20 0 CBADLP C[C@@H]1COCC[N@@H+]1C1CCN(c2nc(N)[nH+]c(N)n2)CC1 ZINC001421170844 907452383 /nfs/dbraw/zinc/45/23/83/907452383.db2.gz XPABBDMRFGREPG-SECBINFHSA-N 2 2 293.375 -0.275 20 0 CBADLP C[C@@H]1COCC[N@H+]1C1CCN(c2nc(N)[nH+]c(N)n2)CC1 ZINC001421170844 907452392 /nfs/dbraw/zinc/45/23/92/907452392.db2.gz XPABBDMRFGREPG-SECBINFHSA-N 2 2 293.375 -0.275 20 0 CBADLP COC[C@H](C)[NH+]1CC(O)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001421415748 907539292 /nfs/dbraw/zinc/53/92/92/907539292.db2.gz DGXNDRVCYRAMLD-RYUDHWBXSA-N 2 2 285.388 -0.722 20 0 CBADLP COC[C@H](C)[NH+]1CC(O)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001421415748 907539303 /nfs/dbraw/zinc/53/93/03/907539303.db2.gz DGXNDRVCYRAMLD-RYUDHWBXSA-N 2 2 285.388 -0.722 20 0 CBADLP CC[C@@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]CC(=O)NC ZINC001421441815 907545219 /nfs/dbraw/zinc/54/52/19/907545219.db2.gz IBABAHOWSIKFQM-NSHDSACASA-N 2 2 281.360 -0.496 20 0 CBADLP COC[C@@H](C)[NH+]1CC(O)(CNC(=O)CC[NH+](C)C)C1 ZINC001421471928 907559744 /nfs/dbraw/zinc/55/97/44/907559744.db2.gz GIIPEZXZZFAEJG-LLVKDONJSA-N 2 2 273.377 -0.864 20 0 CBADLP CC[C@H](CNC(=O)Cc1[nH]c[nH+]c1C)[NH2+][C@@H](C)C(N)=O ZINC001421478988 907565864 /nfs/dbraw/zinc/56/58/64/907565864.db2.gz RLLPILGTPRBYEC-VHSXEESVSA-N 2 2 281.360 -0.381 20 0 CBADLP CC[C@H](CNC(=O)Cc1[nH]c[nH+]c1C)[NH2+][C@H](C)C(N)=O ZINC001421478975 907566052 /nfs/dbraw/zinc/56/60/52/907566052.db2.gz RLLPILGTPRBYEC-NXEZZACHSA-N 2 2 281.360 -0.381 20 0 CBADLP COC[C@H](C)[NH+]1CC(O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001421503476 907569478 /nfs/dbraw/zinc/56/94/78/907569478.db2.gz ITZZATYZTIMUKX-LBPRGKRZSA-N 2 2 285.388 -0.720 20 0 CBADLP CC[C@H](C(=O)NCC1(O)C[NH+]([C@@H](C)COC)C1)[NH+](C)C ZINC001421489594 907570024 /nfs/dbraw/zinc/57/00/24/907570024.db2.gz FMIXUTDYFMHRGQ-NWDGAFQWSA-N 2 2 287.404 -0.476 20 0 CBADLP CNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001421652098 907604646 /nfs/dbraw/zinc/60/46/46/907604646.db2.gz TYGBSCSIBQJWGW-LLVKDONJSA-N 2 2 279.344 -0.790 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]C[C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001421743511 907629010 /nfs/dbraw/zinc/62/90/10/907629010.db2.gz CQLOJJGRQVLKPO-NXEZZACHSA-N 2 2 281.360 -0.571 20 0 CBADLP NC(=O)C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCC1 ZINC001421751893 907636359 /nfs/dbraw/zinc/63/63/59/907636359.db2.gz HTMGIAVHUSQLBO-NXEZZACHSA-N 2 2 291.355 -0.373 20 0 CBADLP C[N@H+](CC(=O)NC[C@@H]1C[NH+](CCCO)CCO1)C1CCC1 ZINC001421813511 907652571 /nfs/dbraw/zinc/65/25/71/907652571.db2.gz YNHXDXVHZAXADU-CQSZACIVSA-N 2 2 299.415 -0.330 20 0 CBADLP C[N@@H+](CC(=O)NC[C@@H]1C[NH+](CCCO)CCO1)C1CCC1 ZINC001421813511 907652581 /nfs/dbraw/zinc/65/25/81/907652581.db2.gz YNHXDXVHZAXADU-CQSZACIVSA-N 2 2 299.415 -0.330 20 0 CBADLP C[NH+](CC(=O)NC[C@@H]1C[N@H+](CCCO)CCO1)C1CCC1 ZINC001421813511 907652589 /nfs/dbraw/zinc/65/25/89/907652589.db2.gz YNHXDXVHZAXADU-CQSZACIVSA-N 2 2 299.415 -0.330 20 0 CBADLP CN(C)C(=O)C[N@H+](C)CCCN(C)C(=O)Cn1cc[nH+]c1 ZINC001421899960 907672782 /nfs/dbraw/zinc/67/27/82/907672782.db2.gz CSBYGXVDHRALLJ-UHFFFAOYSA-N 2 2 295.387 -0.248 20 0 CBADLP CN(C)C(=O)C[N@@H+](C)CCCN(C)C(=O)Cn1cc[nH+]c1 ZINC001421899960 907672788 /nfs/dbraw/zinc/67/27/88/907672788.db2.gz CSBYGXVDHRALLJ-UHFFFAOYSA-N 2 2 295.387 -0.248 20 0 CBADLP CN(CC[N@H+](C)CC(N)=O)C(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001422213611 907747816 /nfs/dbraw/zinc/74/78/16/907747816.db2.gz JTZSWIWUOHMKSD-QWHCGFSZSA-N 2 2 296.415 -0.121 20 0 CBADLP CN(CC[N@@H+](C)CC(N)=O)C(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001422213611 907747824 /nfs/dbraw/zinc/74/78/24/907747824.db2.gz JTZSWIWUOHMKSD-QWHCGFSZSA-N 2 2 296.415 -0.121 20 0 CBADLP CN(CC[NH+](C)CC(N)=O)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001422213611 907747831 /nfs/dbraw/zinc/74/78/31/907747831.db2.gz JTZSWIWUOHMKSD-QWHCGFSZSA-N 2 2 296.415 -0.121 20 0 CBADLP CN(CC[NH+](C)CC(N)=O)C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001422213611 907747836 /nfs/dbraw/zinc/74/78/36/907747836.db2.gz JTZSWIWUOHMKSD-QWHCGFSZSA-N 2 2 296.415 -0.121 20 0 CBADLP C[C@H](CC(=O)NC1CC(C[NH2+]CC(N)=O)C1)n1cc[nH+]c1 ZINC001422274176 907773227 /nfs/dbraw/zinc/77/32/27/907773227.db2.gz DFWICQCOWPDHKB-VOMCLLRMSA-N 2 2 293.371 -0.196 20 0 CBADLP CCNC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001422329513 907803771 /nfs/dbraw/zinc/80/37/71/907803771.db2.gz QXTBVUTWYSTOSP-MNOVXSKESA-N 2 2 295.387 -0.039 20 0 CBADLP CCNC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001422329513 907803804 /nfs/dbraw/zinc/80/38/04/907803804.db2.gz QXTBVUTWYSTOSP-MNOVXSKESA-N 2 2 295.387 -0.039 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+](C)CCCN(C)C(=O)Cn1cc[nH+]c1 ZINC001502403200 921354484 /nfs/dbraw/zinc/35/44/84/921354484.db2.gz IQFQLLGQLOLBCL-LBPRGKRZSA-N 2 2 295.387 -0.073 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+](C)CCCN(C)C(=O)Cn1cc[nH+]c1 ZINC001502403200 921354499 /nfs/dbraw/zinc/35/44/99/921354499.db2.gz IQFQLLGQLOLBCL-LBPRGKRZSA-N 2 2 295.387 -0.073 20 0 CBADLP Cc1noc([C@H](C)[NH2+]C[C@@H](O)CNC(=O)CC[NH+](C)C)n1 ZINC001422350057 907818423 /nfs/dbraw/zinc/81/84/23/907818423.db2.gz RVYDYMUVQZZAAW-GXSJLCMTSA-N 2 2 299.375 -0.543 20 0 CBADLP C[C@@H](NC(=O)CCn1cc[nH+]c1)[C@@H](C)[NH2+]CC(=O)N(C)C ZINC001422364377 907825975 /nfs/dbraw/zinc/82/59/75/907825975.db2.gz HWALDBLIRAHNSK-VXGBXAGGSA-N 2 2 295.387 -0.156 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@H](O)C[NH2+]C[C@@H]1CCOC1 ZINC001422372171 907831992 /nfs/dbraw/zinc/83/19/92/907831992.db2.gz PSIORDHRNHRBDM-JQWIXIFHSA-N 2 2 282.344 -0.945 20 0 CBADLP COC[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001422385389 907835025 /nfs/dbraw/zinc/83/50/25/907835025.db2.gz AAOZIKAYPBHZNH-MWLCHTKSSA-N 2 2 284.360 -0.638 20 0 CBADLP CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001422500390 907896424 /nfs/dbraw/zinc/89/64/24/907896424.db2.gz QOFQSAFJXYLZSY-SNVBAGLBSA-N 2 2 281.360 -0.427 20 0 CBADLP CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001422500390 907896436 /nfs/dbraw/zinc/89/64/36/907896436.db2.gz QOFQSAFJXYLZSY-SNVBAGLBSA-N 2 2 281.360 -0.427 20 0 CBADLP C[C@H](C[NH2+][C@H](C)C(N)=O)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001422517076 907903940 /nfs/dbraw/zinc/90/39/40/907903940.db2.gz BZDKHVJBMUJNGT-RKDXNWHRSA-N 2 2 297.359 -0.682 20 0 CBADLP Cc1cn(C(C)(C)C(=O)N[C@@H](C)C[NH2+]CC(N)=O)c[nH+]1 ZINC001422662572 907972729 /nfs/dbraw/zinc/97/27/29/907972729.db2.gz ZTXTXHNTMIWXOS-VIFPVBQESA-N 2 2 281.360 -0.494 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@@H](C)C[NH2+]Cc1cn(C)nn1 ZINC001422750947 907992063 /nfs/dbraw/zinc/99/20/63/907992063.db2.gz ZUDYXOXVRMOPDB-JTQLQIEISA-N 2 2 291.359 -0.385 20 0 CBADLP CC[C@H](C(=O)N[C@H](C)C1C[NH+](CC(N)=O)C1)[NH+](C)C ZINC001422751154 907995453 /nfs/dbraw/zinc/99/54/53/907995453.db2.gz JEHGULMPFIDEHF-MWLCHTKSSA-N 2 2 270.377 -0.752 20 0 CBADLP C[C@@H](O)C[NH2+][C@@]1(CO)CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001502591614 921370558 /nfs/dbraw/zinc/37/05/58/921370558.db2.gz CLNWNMKOWBCOKY-RISCZKNCSA-N 2 2 296.371 -0.724 20 0 CBADLP C[C@H]([NH2+]CCO)[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CCO1 ZINC001422848179 908031701 /nfs/dbraw/zinc/03/17/01/908031701.db2.gz CWCSDIIPAZDPCC-STQMWFEESA-N 2 2 296.371 -0.529 20 0 CBADLP NC(=O)Cn1cc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)nn1 ZINC001422843880 908035296 /nfs/dbraw/zinc/03/52/96/908035296.db2.gz JQKQOJMBPMZGGW-QMMMGPOBSA-N 2 2 275.316 -0.866 20 0 CBADLP COC[C@H](O)C[N@H+](C)C[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001422923382 908056643 /nfs/dbraw/zinc/05/66/43/908056643.db2.gz KQBDYFHUDBWSGP-DGCLKSJQSA-N 2 2 298.387 -0.594 20 0 CBADLP COC[C@H](O)C[N@@H+](C)C[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001422923382 908056662 /nfs/dbraw/zinc/05/66/62/908056662.db2.gz KQBDYFHUDBWSGP-DGCLKSJQSA-N 2 2 298.387 -0.594 20 0 CBADLP CN(C(=O)Cc1c[nH+]cn1C)[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001422995461 908076073 /nfs/dbraw/zinc/07/60/73/908076073.db2.gz OYZZTDZXNRTECQ-GFCCVEGCSA-N 2 2 293.371 -0.726 20 0 CBADLP C[C@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)[NH2+][C@@H]1CCNC1=O ZINC001423129495 908114767 /nfs/dbraw/zinc/11/47/67/908114767.db2.gz GUXPBHKDLZFDOP-MWLCHTKSSA-N 2 2 279.344 -0.723 20 0 CBADLP O=C(NCC1([NH2+]CCO)CC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001423236412 908169891 /nfs/dbraw/zinc/16/98/91/908169891.db2.gz RWPLWXQJCIPQIQ-LLVKDONJSA-N 2 2 278.356 -0.324 20 0 CBADLP Cc1ccnc(C[NH2+][C@@H](CO)CNC(=O)CC[NH+](C)C)n1 ZINC001423258239 908179232 /nfs/dbraw/zinc/17/92/32/908179232.db2.gz KQXYIWSTCZBDPJ-GFCCVEGCSA-N 2 2 295.387 -0.697 20 0 CBADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)NC[C@H](CO)[NH2+]CCF)C2 ZINC001423264127 908182168 /nfs/dbraw/zinc/18/21/68/908182168.db2.gz OQSSAKRYTYZDKE-VXGBXAGGSA-N 2 2 298.362 -0.210 20 0 CBADLP CC[C@H]([NH2+]C1(CNC(=O)Cc2[nH]c[nH+]c2C)CC1)C(N)=O ZINC001423299295 908195551 /nfs/dbraw/zinc/19/55/51/908195551.db2.gz QBRXQUVDXSVLPD-JTQLQIEISA-N 2 2 293.371 -0.237 20 0 CBADLP Cc1oncc1C[NH2+][C@@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001423309305 908197423 /nfs/dbraw/zinc/19/74/23/908197423.db2.gz LGODDSNZDUOEOB-GFCCVEGCSA-N 2 2 293.327 -0.554 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]Cc2cn(C)nn2)CC1 ZINC001423308636 908199805 /nfs/dbraw/zinc/19/98/05/908199805.db2.gz SYQTXIMZFXRPBH-UHFFFAOYSA-N 2 2 294.403 -0.106 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NCC1([NH2+]Cc2cn(C)nn2)CC1 ZINC001423308636 908199809 /nfs/dbraw/zinc/19/98/09/908199809.db2.gz SYQTXIMZFXRPBH-UHFFFAOYSA-N 2 2 294.403 -0.106 20 0 CBADLP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@H]1C ZINC001423331716 908205792 /nfs/dbraw/zinc/20/57/92/908205792.db2.gz RVVRSDJWGIZAOI-WDEREUQCSA-N 2 2 279.344 -0.792 20 0 CBADLP C[C@H]1[C@H]([NH2+]CC(=O)N(C)C)CCN1C(=O)Cn1cc[nH+]c1 ZINC001423329743 908206186 /nfs/dbraw/zinc/20/61/86/908206186.db2.gz OOSMANYYAYUKEI-NWDGAFQWSA-N 2 2 293.371 -0.450 20 0 CBADLP CNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CCn2cc[nH+]c2)C1 ZINC001423334818 908207641 /nfs/dbraw/zinc/20/76/41/908207641.db2.gz RTXKBSWCIBLZCT-NEPJUHHUSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@@H]1[C@H]([NH2+]CC(=O)N(C)C)CCN1C(=O)Cn1cc[nH+]c1 ZINC001423329745 908207865 /nfs/dbraw/zinc/20/78/65/908207865.db2.gz OOSMANYYAYUKEI-VXGBXAGGSA-N 2 2 293.371 -0.450 20 0 CBADLP COC[C@@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001423472619 908248825 /nfs/dbraw/zinc/24/88/25/908248825.db2.gz ZEVHWYFMUNYRHG-ZYHUDNBSSA-N 2 2 284.360 -0.604 20 0 CBADLP CN(C[C@H](O)C[NH2+]C[C@@H]1CCOC1)C(=O)Cn1cc[nH+]c1 ZINC001423489457 908257176 /nfs/dbraw/zinc/25/71/76/908257176.db2.gz KILHESUIBIEPCF-QWHCGFSZSA-N 2 2 296.371 -0.672 20 0 CBADLP C[N@H+](CC(=O)NCC1(O)C[NH+](CCCF)C1)C1CCC1 ZINC001423833732 908350148 /nfs/dbraw/zinc/35/01/48/908350148.db2.gz UWNJPCKQFOZGHZ-UHFFFAOYSA-N 2 2 287.379 -0.007 20 0 CBADLP C[N@@H+](CC(=O)NCC1(O)C[NH+](CCCF)C1)C1CCC1 ZINC001423833732 908350165 /nfs/dbraw/zinc/35/01/65/908350165.db2.gz UWNJPCKQFOZGHZ-UHFFFAOYSA-N 2 2 287.379 -0.007 20 0 CBADLP C[C@@H](O)CCC[NH+]1CC(O)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001423829941 908351447 /nfs/dbraw/zinc/35/14/47/908351447.db2.gz QHBLXCYBDAQYRS-OLZOCXBDSA-N 2 2 299.415 -0.596 20 0 CBADLP C[C@@H](O)CCC[NH+]1CC(O)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001423829941 908351459 /nfs/dbraw/zinc/35/14/59/908351459.db2.gz QHBLXCYBDAQYRS-OLZOCXBDSA-N 2 2 299.415 -0.596 20 0 CBADLP CO[C@H](C)C[NH+]1CC(O)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001423859376 908357580 /nfs/dbraw/zinc/35/75/80/908357580.db2.gz BIEWBUMRDJFSPT-GFCCVEGCSA-N 2 2 296.371 -0.611 20 0 CBADLP CC[C@H](C[NH+]1CC(O)(CNC(=O)CC[NH+](C)C)C1)OC ZINC001423868863 908360608 /nfs/dbraw/zinc/36/06/08/908360608.db2.gz UBPHZVKYERDJKR-GFCCVEGCSA-N 2 2 287.404 -0.474 20 0 CBADLP C[C@@H](NC(=O)CC[NH+](C)C)[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001423980469 908375350 /nfs/dbraw/zinc/37/53/50/908375350.db2.gz WLRIFXQOPDFXTG-MNOVXSKESA-N 2 2 295.387 -0.087 20 0 CBADLP C[N@@H+]1CC[C@@H](C(=O)N[C@@]2(CO)CCC[NH+](CCF)C2)C1 ZINC001424043771 908397146 /nfs/dbraw/zinc/39/71/46/908397146.db2.gz PLSZBSQKQIGKLB-OCCSQVGLSA-N 2 2 287.379 -0.149 20 0 CBADLP C[N@H+]1CC[C@@H](C(=O)N[C@@]2(CO)CCC[NH+](CCF)C2)C1 ZINC001424043771 908397161 /nfs/dbraw/zinc/39/71/61/908397161.db2.gz PLSZBSQKQIGKLB-OCCSQVGLSA-N 2 2 287.379 -0.149 20 0 CBADLP C[NH+]1CC[C@@H](C(=O)N[C@@]2(CO)CCC[N@H+](CCF)C2)C1 ZINC001424043771 908397176 /nfs/dbraw/zinc/39/71/76/908397176.db2.gz PLSZBSQKQIGKLB-OCCSQVGLSA-N 2 2 287.379 -0.149 20 0 CBADLP C[NH+]1CC[C@@H](C(=O)N[C@@]2(CO)CCC[N@@H+](CCF)C2)C1 ZINC001424043771 908397191 /nfs/dbraw/zinc/39/71/91/908397191.db2.gz PLSZBSQKQIGKLB-OCCSQVGLSA-N 2 2 287.379 -0.149 20 0 CBADLP C[N@@H+]1CC[C@H](C(=O)N[C@]2(CO)CCC[NH+](CCF)C2)C1 ZINC001424043767 908398427 /nfs/dbraw/zinc/39/84/27/908398427.db2.gz PLSZBSQKQIGKLB-GXTWGEPZSA-N 2 2 287.379 -0.149 20 0 CBADLP C[N@H+]1CC[C@H](C(=O)N[C@]2(CO)CCC[NH+](CCF)C2)C1 ZINC001424043767 908398444 /nfs/dbraw/zinc/39/84/44/908398444.db2.gz PLSZBSQKQIGKLB-GXTWGEPZSA-N 2 2 287.379 -0.149 20 0 CBADLP C[NH+]1CC[C@H](C(=O)N[C@]2(CO)CCC[N@H+](CCF)C2)C1 ZINC001424043767 908398457 /nfs/dbraw/zinc/39/84/57/908398457.db2.gz PLSZBSQKQIGKLB-GXTWGEPZSA-N 2 2 287.379 -0.149 20 0 CBADLP C[NH+]1CC[C@H](C(=O)N[C@]2(CO)CCC[N@@H+](CCF)C2)C1 ZINC001424043767 908398473 /nfs/dbraw/zinc/39/84/73/908398473.db2.gz PLSZBSQKQIGKLB-GXTWGEPZSA-N 2 2 287.379 -0.149 20 0 CBADLP C[C@@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)N1CC[NH+](C)CC1 ZINC001424110295 908409170 /nfs/dbraw/zinc/40/91/70/908409170.db2.gz CGNDCFPELSIJOC-VXGBXAGGSA-N 2 2 290.433 -0.497 20 0 CBADLP C[C@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)N1CC[NH+](C)CC1 ZINC001424110291 908409694 /nfs/dbraw/zinc/40/96/94/908409694.db2.gz CGNDCFPELSIJOC-NWDGAFQWSA-N 2 2 290.433 -0.497 20 0 CBADLP C[C@H](C(N)=O)[N@H+](C)CCCN(C)C(=O)CCn1cc[nH+]c1 ZINC001424321235 908444422 /nfs/dbraw/zinc/44/44/22/908444422.db2.gz NINSCJKYPHNZKO-GFCCVEGCSA-N 2 2 295.387 -0.073 20 0 CBADLP C[C@H](C(N)=O)[N@@H+](C)CCCN(C)C(=O)CCn1cc[nH+]c1 ZINC001424321235 908444425 /nfs/dbraw/zinc/44/44/25/908444425.db2.gz NINSCJKYPHNZKO-GFCCVEGCSA-N 2 2 295.387 -0.073 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+](C)CCCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001424331141 908444709 /nfs/dbraw/zinc/44/47/09/908444709.db2.gz YZTUHIFPRDGFNS-NSHDSACASA-N 2 2 295.387 -0.004 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+](C)CCCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001424331141 908444717 /nfs/dbraw/zinc/44/47/17/908444717.db2.gz YZTUHIFPRDGFNS-NSHDSACASA-N 2 2 295.387 -0.004 20 0 CBADLP COC[C@H](O)C[NH2+]CC1CC(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001424742349 908497789 /nfs/dbraw/zinc/49/77/89/908497789.db2.gz MGOZOKKAPKSFIY-GCZXYKMCSA-N 2 2 296.371 -0.556 20 0 CBADLP CC[N@H+](C)CCC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1nnn(C)n1 ZINC001424829843 908511497 /nfs/dbraw/zinc/51/14/97/908511497.db2.gz ILDJUUKEEPUEQK-QWRGUYRKSA-N 2 2 297.407 -0.465 20 0 CBADLP CC[N@@H+](C)CCC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1nnn(C)n1 ZINC001424829843 908511511 /nfs/dbraw/zinc/51/15/11/908511511.db2.gz ILDJUUKEEPUEQK-QWRGUYRKSA-N 2 2 297.407 -0.465 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)[N@H+](C)CCO ZINC001424971600 908540680 /nfs/dbraw/zinc/54/06/80/908540680.db2.gz MUZZQIQNUJYICC-NWDGAFQWSA-N 2 2 280.372 -0.126 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)[N@@H+](C)CCO ZINC001424971600 908540689 /nfs/dbraw/zinc/54/06/89/908540689.db2.gz MUZZQIQNUJYICC-NWDGAFQWSA-N 2 2 280.372 -0.126 20 0 CBADLP C[C@H](CNC(=O)CCc1c[nH+]cn1C)[N@H+](C)[C@@H](C)C(N)=O ZINC001425046923 908560856 /nfs/dbraw/zinc/56/08/56/908560856.db2.gz CLDUIPRVSPMUNA-MNOVXSKESA-N 2 2 295.387 -0.337 20 0 CBADLP C[C@H](CNC(=O)CCc1c[nH+]cn1C)[N@@H+](C)[C@@H](C)C(N)=O ZINC001425046923 908560866 /nfs/dbraw/zinc/56/08/66/908560866.db2.gz CLDUIPRVSPMUNA-MNOVXSKESA-N 2 2 295.387 -0.337 20 0 CBADLP C[C@H](O)C[NH+]1CC(CCO)(NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001425106874 908575626 /nfs/dbraw/zinc/57/56/26/908575626.db2.gz VRSKFIMZSQKOOC-LBPRGKRZSA-N 2 2 299.415 -0.596 20 0 CBADLP C[C@H](O)C[NH+]1CC(CCO)(NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001425106874 908575638 /nfs/dbraw/zinc/57/56/38/908575638.db2.gz VRSKFIMZSQKOOC-LBPRGKRZSA-N 2 2 299.415 -0.596 20 0 CBADLP O=C(CCn1cc[nH+]c1)NC[C@@H](CO)[NH2+]C[C@H]1CCOC1 ZINC001425773890 908736648 /nfs/dbraw/zinc/73/66/48/908736648.db2.gz KCDUKJJZXBHDDL-OLZOCXBDSA-N 2 2 296.371 -0.624 20 0 CBADLP O=C(C[NH+]1CCCC1)NC[C@@H](CO)[NH2+]Cc1nccs1 ZINC001425835311 908758315 /nfs/dbraw/zinc/75/83/15/908758315.db2.gz IAIZKTVWEMJBNO-NSHDSACASA-N 2 2 298.412 -0.194 20 0 CBADLP O=C(C[NH+]1CCCC1)NC[C@H](CO)[NH2+]Cc1cnns1 ZINC001425843748 908761794 /nfs/dbraw/zinc/76/17/94/908761794.db2.gz TUJNJSJRMFDEKU-SNVBAGLBSA-N 2 2 299.400 -0.799 20 0 CBADLP CCNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001425918283 908782291 /nfs/dbraw/zinc/78/22/91/908782291.db2.gz ZUFMLLSOIFXZDX-MNOVXSKESA-N 2 2 293.371 -0.333 20 0 CBADLP CCNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001425918287 908783309 /nfs/dbraw/zinc/78/33/09/908783309.db2.gz ZUFMLLSOIFXZDX-QWRGUYRKSA-N 2 2 293.371 -0.333 20 0 CBADLP CCNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001425918290 908783643 /nfs/dbraw/zinc/78/36/43/908783643.db2.gz ZUFMLLSOIFXZDX-WDEREUQCSA-N 2 2 293.371 -0.333 20 0 CBADLP CO[C@H](C)C[N@H+](C)C[C@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001426101727 908830100 /nfs/dbraw/zinc/83/01/00/908830100.db2.gz OCHITHYYJSDBSH-YPMHNXCESA-N 2 2 298.387 -0.262 20 0 CBADLP CO[C@H](C)C[N@@H+](C)C[C@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001426101727 908830112 /nfs/dbraw/zinc/83/01/12/908830112.db2.gz OCHITHYYJSDBSH-YPMHNXCESA-N 2 2 298.387 -0.262 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)[C@@H](C)[NH2+]CC(=O)N(C)C ZINC001505737230 921472059 /nfs/dbraw/zinc/47/20/59/921472059.db2.gz CDWXAMLKLJNSFO-ZJUUUORDSA-N 2 2 295.387 -0.168 20 0 CBADLP CC[NH+](CC)CC(=O)NC1CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001430198811 909310304 /nfs/dbraw/zinc/31/03/04/909310304.db2.gz VDBLHQSZWSMXBJ-UHFFFAOYSA-N 2 2 293.371 -0.379 20 0 CBADLP C[C@H](CNC(=O)CCC[NH+](C)C)NC(=O)Cn1cc[nH+]c1 ZINC001430743126 909383032 /nfs/dbraw/zinc/38/30/32/909383032.db2.gz ONOQBLCIBTUHBD-GFCCVEGCSA-N 2 2 295.387 -0.154 20 0 CBADLP C[C@@H](CNC(=O)CC[NH+](C)C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001430749321 909386578 /nfs/dbraw/zinc/38/65/78/909386578.db2.gz IRDCCCBZNJWVCS-JTQLQIEISA-N 2 2 281.360 -0.475 20 0 CBADLP CC[N@H+](C)CCC(=O)N(C)CCNC(=O)Cn1cc[nH+]c1 ZINC001431338904 909449454 /nfs/dbraw/zinc/44/94/54/909449454.db2.gz YCVRZJHAODXTSD-UHFFFAOYSA-N 2 2 295.387 -0.201 20 0 CBADLP CC[N@@H+](C)CCC(=O)N(C)CCNC(=O)Cn1cc[nH+]c1 ZINC001431338904 909449462 /nfs/dbraw/zinc/44/94/62/909449462.db2.gz YCVRZJHAODXTSD-UHFFFAOYSA-N 2 2 295.387 -0.201 20 0 CBADLP C[C@H](CNC(=O)CC[NH+](C)C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001432996827 909669440 /nfs/dbraw/zinc/66/94/40/909669440.db2.gz XWLGPMCWQXYWEP-LLVKDONJSA-N 2 2 295.387 -0.228 20 0 CBADLP C[C@@H](CNC(=O)CC[NH+](C)C)[N@H+](C)Cc1cnnn1C ZINC001505993508 921520089 /nfs/dbraw/zinc/52/00/89/921520089.db2.gz XRIRZSWNWSOKEX-NSHDSACASA-N 2 2 282.392 -0.297 20 0 CBADLP C[C@@H](CNC(=O)CC[NH+](C)C)[N@@H+](C)Cc1cnnn1C ZINC001505993508 921520097 /nfs/dbraw/zinc/52/00/97/921520097.db2.gz XRIRZSWNWSOKEX-NSHDSACASA-N 2 2 282.392 -0.297 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC[C@@H](C)[N@H+](C)CC(=O)N(C)C ZINC001506058176 921532432 /nfs/dbraw/zinc/53/24/32/921532432.db2.gz ABCSQWKIGKAYMP-LLVKDONJSA-N 2 2 295.387 -0.284 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC[C@@H](C)[N@@H+](C)CC(=O)N(C)C ZINC001506058176 921532440 /nfs/dbraw/zinc/53/24/40/921532440.db2.gz ABCSQWKIGKAYMP-LLVKDONJSA-N 2 2 295.387 -0.284 20 0 CBADLP COCC[NH+]1CC(CCO)(NC(=O)C[N@H+](C)C(C)C)C1 ZINC001506144961 921552581 /nfs/dbraw/zinc/55/25/81/921552581.db2.gz CBKVMIMQETUXCQ-UHFFFAOYSA-N 2 2 287.404 -0.474 20 0 CBADLP C[C@H](O)C[NH+]1CC(CCO)(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001506125594 921549625 /nfs/dbraw/zinc/54/96/25/921549625.db2.gz WHIBVILGKTZDGI-STQMWFEESA-N 2 2 299.415 -0.738 20 0 CBADLP C[C@H](O)C[NH+]1CC(CCO)(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001506125594 921549634 /nfs/dbraw/zinc/54/96/34/921549634.db2.gz WHIBVILGKTZDGI-STQMWFEESA-N 2 2 299.415 -0.738 20 0 CBADLP CC(C)(O)C[NH+]1CCC([NH2+]CC(=O)N2CCCO2)CC1 ZINC001434541519 910253565 /nfs/dbraw/zinc/25/35/65/910253565.db2.gz ZSCDJELIJVNLBN-UHFFFAOYSA-N 2 2 285.388 -0.025 20 0 CBADLP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001436740506 910478632 /nfs/dbraw/zinc/47/86/32/910478632.db2.gz FOGUYDOLPVRIBD-LLVKDONJSA-N 2 2 270.377 -0.606 20 0 CBADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001436740506 910478640 /nfs/dbraw/zinc/47/86/40/910478640.db2.gz FOGUYDOLPVRIBD-LLVKDONJSA-N 2 2 270.377 -0.606 20 0 CBADLP CCC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001436740506 910478647 /nfs/dbraw/zinc/47/86/47/910478647.db2.gz FOGUYDOLPVRIBD-LLVKDONJSA-N 2 2 270.377 -0.606 20 0 CBADLP CCC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001436740506 910478653 /nfs/dbraw/zinc/47/86/53/910478653.db2.gz FOGUYDOLPVRIBD-LLVKDONJSA-N 2 2 270.377 -0.606 20 0 CBADLP CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001436910119 910509986 /nfs/dbraw/zinc/50/99/86/910509986.db2.gz DDUXTTUGZKRLKW-MGCOHNPYSA-N 2 2 279.344 -0.675 20 0 CBADLP NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001436979956 910523551 /nfs/dbraw/zinc/52/35/51/910523551.db2.gz SRFDMHSJBPZBNQ-PHIMTYICSA-N 2 2 279.344 -0.615 20 0 CBADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CC(=O)N1CCCC1 ZINC001437201252 910584039 /nfs/dbraw/zinc/58/40/39/910584039.db2.gz KRYUXPCCEYYBRD-NSHDSACASA-N 2 2 293.371 -0.331 20 0 CBADLP CNC(=O)C[NH2+][C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001437210482 910586043 /nfs/dbraw/zinc/58/60/43/910586043.db2.gz KGZKCYPAFUQBLM-GHMZBOCLSA-N 2 2 281.360 -0.326 20 0 CBADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+][C@H]1CCCNC1=O ZINC001437235829 910597236 /nfs/dbraw/zinc/59/72/36/910597236.db2.gz KHOGQFAQYRQTTQ-PWSUYJOCSA-N 2 2 293.371 -0.665 20 0 CBADLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]Cc1cnnn1C ZINC001437233016 910598773 /nfs/dbraw/zinc/59/87/73/910598773.db2.gz CGXCKBNRFYUHDE-JTQLQIEISA-N 2 2 291.359 -0.614 20 0 CBADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CCN1CCNC1=O ZINC001437275300 910601410 /nfs/dbraw/zinc/60/14/10/910601410.db2.gz WXWAZUPNPQAPKW-NSHDSACASA-N 2 2 294.359 -0.997 20 0 CBADLP CNC(=O)C[NH2+][C@@H]1CCC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001437331576 910612788 /nfs/dbraw/zinc/61/27/88/910612788.db2.gz ODRCACFWKUPQOM-GHMZBOCLSA-N 2 2 293.371 -0.285 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001437323770 910613083 /nfs/dbraw/zinc/61/30/83/910613083.db2.gz IEAAWEHFDPDMQU-RYUDHWBXSA-N 2 2 293.371 -0.544 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001437312468 910613340 /nfs/dbraw/zinc/61/33/40/910613340.db2.gz OXKZXKRZSZYTOU-GHMZBOCLSA-N 2 2 293.371 -0.475 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001437323774 910613496 /nfs/dbraw/zinc/61/34/96/910613496.db2.gz IEAAWEHFDPDMQU-VXGBXAGGSA-N 2 2 293.371 -0.544 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001437312484 910613710 /nfs/dbraw/zinc/61/37/10/910613710.db2.gz OXKZXKRZSZYTOU-WDEREUQCSA-N 2 2 293.371 -0.475 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)NCC[NH+](C)CC(=O)N(C)C)CC[N@@H+]1C ZINC001437464182 910655677 /nfs/dbraw/zinc/65/56/77/910655677.db2.gz UQXDNFBLRZJYDP-QWHCGFSZSA-N 2 2 298.431 -0.147 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)NCC[NH+](C)CC(=O)N(C)C)CC[N@H+]1C ZINC001437464182 910655684 /nfs/dbraw/zinc/65/56/84/910655684.db2.gz UQXDNFBLRZJYDP-QWHCGFSZSA-N 2 2 298.431 -0.147 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)NCC[N@H+](C)CC(=O)N(C)C)CC[NH+]1C ZINC001437464182 910655694 /nfs/dbraw/zinc/65/56/94/910655694.db2.gz UQXDNFBLRZJYDP-QWHCGFSZSA-N 2 2 298.431 -0.147 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)NCC[N@@H+](C)CC(=O)N(C)C)CC[NH+]1C ZINC001437464182 910655707 /nfs/dbraw/zinc/65/57/07/910655707.db2.gz UQXDNFBLRZJYDP-QWHCGFSZSA-N 2 2 298.431 -0.147 20 0 CBADLP CC[N@H+](CCNC(=O)CC[NH+](C)C)Cc1cnnn1C ZINC001437623709 910699093 /nfs/dbraw/zinc/69/90/93/910699093.db2.gz ZRQWGKCAIHDHOF-UHFFFAOYSA-N 2 2 282.392 -0.295 20 0 CBADLP CC[N@@H+](CCNC(=O)CC[NH+](C)C)Cc1cnnn1C ZINC001437623709 910699101 /nfs/dbraw/zinc/69/91/01/910699101.db2.gz ZRQWGKCAIHDHOF-UHFFFAOYSA-N 2 2 282.392 -0.295 20 0 CBADLP CCC[N@H+](CCNC(=O)Cn1cc[nH+]c1)[C@@H](C)C(N)=O ZINC001437765678 910741125 /nfs/dbraw/zinc/74/11/25/910741125.db2.gz GAFFVRYDXQNOHB-NSHDSACASA-N 2 2 281.360 -0.415 20 0 CBADLP CCC[N@@H+](CCNC(=O)Cn1cc[nH+]c1)[C@@H](C)C(N)=O ZINC001437765678 910741144 /nfs/dbraw/zinc/74/11/44/910741144.db2.gz GAFFVRYDXQNOHB-NSHDSACASA-N 2 2 281.360 -0.415 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N(C)CC[NH2+][C@H]1CCNC1=O ZINC001437850770 910771163 /nfs/dbraw/zinc/77/11/63/910771163.db2.gz FEWRLUGFTKWBKC-JTQLQIEISA-N 2 2 279.344 -0.803 20 0 CBADLP C[C@@H]([NH2+]CCN(C)C(=O)Cn1cc[nH+]c1)C(=O)NC1CC1 ZINC001437862356 910772067 /nfs/dbraw/zinc/77/20/67/910772067.db2.gz XRYRMSHQTYRBFF-LLVKDONJSA-N 2 2 293.371 -0.402 20 0 CBADLP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+](CC(=O)NC)C1 ZINC001438022512 910793491 /nfs/dbraw/zinc/79/34/91/910793491.db2.gz JEGCZVZCNLFIQF-GFCCVEGCSA-N 2 2 284.404 -0.345 20 0 CBADLP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[NH+](CC(=O)NC)C1 ZINC001438022512 910793504 /nfs/dbraw/zinc/79/35/04/910793504.db2.gz JEGCZVZCNLFIQF-GFCCVEGCSA-N 2 2 284.404 -0.345 20 0 CBADLP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](CC(=O)NC)C1 ZINC001438022512 910793519 /nfs/dbraw/zinc/79/35/19/910793519.db2.gz JEGCZVZCNLFIQF-GFCCVEGCSA-N 2 2 284.404 -0.345 20 0 CBADLP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NC)C1 ZINC001438022512 910793531 /nfs/dbraw/zinc/79/35/31/910793531.db2.gz JEGCZVZCNLFIQF-GFCCVEGCSA-N 2 2 284.404 -0.345 20 0 CBADLP CCN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001438273344 910856040 /nfs/dbraw/zinc/85/60/40/910856040.db2.gz UHPACYZJBCWYFM-QWHCGFSZSA-N 2 2 296.415 -0.121 20 0 CBADLP CCN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001438273344 910856049 /nfs/dbraw/zinc/85/60/49/910856049.db2.gz UHPACYZJBCWYFM-QWHCGFSZSA-N 2 2 296.415 -0.121 20 0 CBADLP CCN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001438273346 910859798 /nfs/dbraw/zinc/85/97/98/910859798.db2.gz UHPACYZJBCWYFM-STQMWFEESA-N 2 2 296.415 -0.121 20 0 CBADLP CCN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001438273346 910859805 /nfs/dbraw/zinc/85/98/05/910859805.db2.gz UHPACYZJBCWYFM-STQMWFEESA-N 2 2 296.415 -0.121 20 0 CBADLP CC[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@@H](C)C(=O)N(C)C ZINC001438340102 910882512 /nfs/dbraw/zinc/88/25/12/910882512.db2.gz GCGIMLOINNNQJB-WDEREUQCSA-N 2 2 295.387 -0.087 20 0 CBADLP COCC[N@@H+]1CCO[C@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001438561799 910923415 /nfs/dbraw/zinc/92/34/15/910923415.db2.gz BFVYZXHMOBMDRY-CYBMUJFWSA-N 2 2 296.371 -0.345 20 0 CBADLP COCC[N@H+]1CCO[C@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001438561799 910923434 /nfs/dbraw/zinc/92/34/34/910923434.db2.gz BFVYZXHMOBMDRY-CYBMUJFWSA-N 2 2 296.371 -0.345 20 0 CBADLP C[C@@H](C[NH2+]CC(N)=O)N(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001438672538 910950800 /nfs/dbraw/zinc/95/08/00/910950800.db2.gz ZVRIOVAERQFFQK-WDEREUQCSA-N 2 2 293.371 -0.633 20 0 CBADLP C[C@@H](C[NH2+][C@@H](C)C(N)=O)N(C)C(=O)CCCn1cc[nH+]c1 ZINC001438717122 910963485 /nfs/dbraw/zinc/96/34/85/910963485.db2.gz VJYLTSQVOYRKMV-RYUDHWBXSA-N 2 2 295.387 -0.026 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]([NH2+][C@@H](C)C(N)=O)C(C)C ZINC001438840970 910977769 /nfs/dbraw/zinc/97/77/69/910977769.db2.gz MMKLQWFBAXIHPF-JQWIXIFHSA-N 2 2 295.387 -0.135 20 0 CBADLP CCN(C)C(=O)C[N@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001438901130 910988168 /nfs/dbraw/zinc/98/81/68/910988168.db2.gz OKKDMDSDKYHNGC-CYBMUJFWSA-N 2 2 298.431 -0.051 20 0 CBADLP CCN(C)C(=O)C[N@@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001438901130 910988186 /nfs/dbraw/zinc/98/81/86/910988186.db2.gz OKKDMDSDKYHNGC-CYBMUJFWSA-N 2 2 298.431 -0.051 20 0 CBADLP CCN(C)C(=O)C[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001438901130 910988204 /nfs/dbraw/zinc/98/82/04/910988204.db2.gz OKKDMDSDKYHNGC-CYBMUJFWSA-N 2 2 298.431 -0.051 20 0 CBADLP CCN(C)C(=O)C[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001438901130 910988219 /nfs/dbraw/zinc/98/82/19/910988219.db2.gz OKKDMDSDKYHNGC-CYBMUJFWSA-N 2 2 298.431 -0.051 20 0 CBADLP CNC(=O)C[N@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001438903994 910993891 /nfs/dbraw/zinc/99/38/91/910993891.db2.gz ZYRUYZIQTNJIIW-LLVKDONJSA-N 2 2 270.377 -0.783 20 0 CBADLP CNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001438903994 910993901 /nfs/dbraw/zinc/99/39/01/910993901.db2.gz ZYRUYZIQTNJIIW-LLVKDONJSA-N 2 2 270.377 -0.783 20 0 CBADLP CNC(=O)C[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001438903994 910993916 /nfs/dbraw/zinc/99/39/16/910993916.db2.gz ZYRUYZIQTNJIIW-LLVKDONJSA-N 2 2 270.377 -0.783 20 0 CBADLP CNC(=O)C[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001438903994 910993922 /nfs/dbraw/zinc/99/39/22/910993922.db2.gz ZYRUYZIQTNJIIW-LLVKDONJSA-N 2 2 270.377 -0.783 20 0 CBADLP CN(CC[N@H+](C)CC(N)=O)C(=O)C[NH+](C)CC(C)(C)C ZINC001438916075 910998596 /nfs/dbraw/zinc/99/85/96/910998596.db2.gz IRBLBROKEYIVAT-UHFFFAOYSA-N 2 2 286.420 -0.160 20 0 CBADLP CN(CC[N@@H+](C)CC(N)=O)C(=O)C[NH+](C)CC(C)(C)C ZINC001438916075 910998610 /nfs/dbraw/zinc/99/86/10/910998610.db2.gz IRBLBROKEYIVAT-UHFFFAOYSA-N 2 2 286.420 -0.160 20 0 CBADLP CN(CC[NH+](C)CC(N)=O)C(=O)C[N@H+](C)CC(C)(C)C ZINC001438916075 910998616 /nfs/dbraw/zinc/99/86/16/910998616.db2.gz IRBLBROKEYIVAT-UHFFFAOYSA-N 2 2 286.420 -0.160 20 0 CBADLP CN(CC[NH+](C)CC(N)=O)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001438916075 910998627 /nfs/dbraw/zinc/99/86/27/910998627.db2.gz IRBLBROKEYIVAT-UHFFFAOYSA-N 2 2 286.420 -0.160 20 0 CBADLP CC[NH2+]C[C@@H](O)CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001438990908 911040077 /nfs/dbraw/zinc/04/00/77/911040077.db2.gz MCVSWPLUGSHLEK-GFCCVEGCSA-N 2 2 280.372 -0.152 20 0 CBADLP CC[C@H](C)NC(=O)C[NH2+]C[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001439184118 911128417 /nfs/dbraw/zinc/12/84/17/911128417.db2.gz IBGFIHRHCXIUFS-NWDGAFQWSA-N 2 2 295.387 -0.108 20 0 CBADLP C[C@@H](C[NH2+]CC(N)=O)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001439220142 911144948 /nfs/dbraw/zinc/14/49/48/911144948.db2.gz FKSAKMZCGRWCLX-QMMMGPOBSA-N 2 2 275.312 -0.244 20 0 CBADLP CNC(=O)C[NH2+]CCC[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001506946729 921646256 /nfs/dbraw/zinc/64/62/56/921646256.db2.gz RFJQHSGGKJJTHI-JTQLQIEISA-N 2 2 295.387 -0.119 20 0 CBADLP COC[C@H](O)C[NH+]1CC(N(C)C(=O)C2([NH+](C)C)CCC2)C1 ZINC001439723836 911280765 /nfs/dbraw/zinc/28/07/65/911280765.db2.gz DUXQNZFSCDCCIR-CYBMUJFWSA-N 2 2 299.415 -0.379 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N(C)C1C[NH+](CCCO)C1 ZINC001439755276 911283518 /nfs/dbraw/zinc/28/35/18/911283518.db2.gz MCCYKEFYHJTDHC-ZDUSSCGKSA-N 2 2 299.415 -0.520 20 0 CBADLP NC(=O)C[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001440221696 911411372 /nfs/dbraw/zinc/41/13/72/911411372.db2.gz IWIUIFQNTPWXHO-XYPYZODXSA-N 2 2 293.371 -0.298 20 0 CBADLP CCN(C)C(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+](C)C ZINC001440244076 911416806 /nfs/dbraw/zinc/41/68/06/911416806.db2.gz OUNHPZJFUZOLIO-CYBMUJFWSA-N 2 2 298.431 -0.051 20 0 CBADLP CCN(C)C(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+](C)C ZINC001440244076 911416818 /nfs/dbraw/zinc/41/68/18/911416818.db2.gz OUNHPZJFUZOLIO-CYBMUJFWSA-N 2 2 298.431 -0.051 20 0 CBADLP CO[C@H](C)C[N@@H+]1CCOC[C@H]1CNC(=O)CC[NH+](C)C ZINC001440271260 911419607 /nfs/dbraw/zinc/41/96/07/911419607.db2.gz MIISLHJMKPRRIA-CHWSQXEVSA-N 2 2 287.404 -0.210 20 0 CBADLP CO[C@H](C)C[N@H+]1CCOC[C@H]1CNC(=O)CC[NH+](C)C ZINC001440271260 911419618 /nfs/dbraw/zinc/41/96/18/911419618.db2.gz MIISLHJMKPRRIA-CHWSQXEVSA-N 2 2 287.404 -0.210 20 0 CBADLP NC(=O)C[NH2+]C1(CNC(=O)CCCn2cc[nH+]c2)CCC1 ZINC001440358883 911436452 /nfs/dbraw/zinc/43/64/52/911436452.db2.gz OISZGMFUKDNRKV-UHFFFAOYSA-N 2 2 293.371 -0.223 20 0 CBADLP COC[C@@H](C)[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001440372432 911439749 /nfs/dbraw/zinc/43/97/49/911439749.db2.gz HFGGUEARSPBZED-YPMHNXCESA-N 2 2 296.371 -0.196 20 0 CBADLP C[C@@H](CCNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@@H]1CCCNC1=O ZINC001440671624 911490683 /nfs/dbraw/zinc/49/06/83/911490683.db2.gz RKBHVRBCSPHNGO-CMPLNLGQSA-N 2 2 293.371 -0.285 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N1CCC[C@@H]1C[N@@H+](C)CC(N)=O ZINC001440739416 911500631 /nfs/dbraw/zinc/50/06/31/911500631.db2.gz ZODUNYKBWWQCME-GFCCVEGCSA-N 2 2 293.371 -0.400 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N1CCC[C@@H]1C[N@H+](C)CC(N)=O ZINC001440739416 911500651 /nfs/dbraw/zinc/50/06/51/911500651.db2.gz ZODUNYKBWWQCME-GFCCVEGCSA-N 2 2 293.371 -0.400 20 0 CBADLP COC[C@@H](O)C[NH2+]CC1CC(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001440759858 911505786 /nfs/dbraw/zinc/50/57/86/911505786.db2.gz MGOZOKKAPKSFIY-XIVSLSHWSA-N 2 2 296.371 -0.556 20 0 CBADLP C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](C)[NH2+]Cc1nnn(C)n1 ZINC001440824289 911521924 /nfs/dbraw/zinc/52/19/24/911521924.db2.gz CCPULQVRYZTYTN-NXEZZACHSA-N 2 2 283.380 -0.855 20 0 CBADLP CCNC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001440847323 911526529 /nfs/dbraw/zinc/52/65/29/911526529.db2.gz GMFDJNSJSAKSEO-MNOVXSKESA-N 2 2 281.360 -0.498 20 0 CBADLP C[C@@H]([NH2+]Cc1cnnn1C)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001440845224 911528029 /nfs/dbraw/zinc/52/80/29/911528029.db2.gz CDYVTVWPNNWORA-MNOVXSKESA-N 2 2 291.359 -0.305 20 0 CBADLP C[C@@H](CNC(=O)CCn1cc[nH+]c1)[N@H+](C)[C@@H](C)C(N)=O ZINC001440956820 911560007 /nfs/dbraw/zinc/56/00/07/911560007.db2.gz JPZGFTXRQBFKGS-QWRGUYRKSA-N 2 2 281.360 -0.417 20 0 CBADLP C[C@@H](CNC(=O)CCn1cc[nH+]c1)[N@@H+](C)[C@@H](C)C(N)=O ZINC001440956820 911560020 /nfs/dbraw/zinc/56/00/20/911560020.db2.gz JPZGFTXRQBFKGS-QWRGUYRKSA-N 2 2 281.360 -0.417 20 0 CBADLP Cc1[nH+]ccn1CCCC(=O)NC[C@@H](C)[N@H+](C)CC(N)=O ZINC001440987656 911576308 /nfs/dbraw/zinc/57/63/08/911576308.db2.gz ATWRPGRLOBLAHA-LLVKDONJSA-N 2 2 295.387 -0.106 20 0 CBADLP Cc1[nH+]ccn1CCCC(=O)NC[C@@H](C)[N@@H+](C)CC(N)=O ZINC001440987656 911576320 /nfs/dbraw/zinc/57/63/20/911576320.db2.gz ATWRPGRLOBLAHA-LLVKDONJSA-N 2 2 295.387 -0.106 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001441501533 911688993 /nfs/dbraw/zinc/68/89/93/911688993.db2.gz MONDIIAWAAUJNL-UTUOFQBUSA-N 2 2 293.371 -0.356 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@H](C)CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001441623823 911715460 /nfs/dbraw/zinc/71/54/60/911715460.db2.gz HGAAEGGGZRXIBK-KOLCDFICSA-N 2 2 295.387 -0.168 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@@H](C)CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001441623826 911715534 /nfs/dbraw/zinc/71/55/34/911715534.db2.gz HGAAEGGGZRXIBK-ONGXEEELSA-N 2 2 295.387 -0.168 20 0 CBADLP Cc1cc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CCC[N@H+]2C)on1 ZINC001441728958 911771782 /nfs/dbraw/zinc/77/17/82/911771782.db2.gz IFIHIUKXAVXSRH-DGCLKSJQSA-N 2 2 296.371 -0.356 20 0 CBADLP Cc1cc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CCC[N@@H+]2C)on1 ZINC001441728958 911771791 /nfs/dbraw/zinc/77/17/91/911771791.db2.gz IFIHIUKXAVXSRH-DGCLKSJQSA-N 2 2 296.371 -0.356 20 0 CBADLP CC[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc1ccon1)[NH+](C)C ZINC001441751039 911778757 /nfs/dbraw/zinc/77/87/57/911778757.db2.gz LEKAVRYTCCSAPF-NEPJUHHUSA-N 2 2 284.360 -0.419 20 0 CBADLP Cc1cc(C[NH2+][C@H](CO)CNC(=O)C[NH+]2CCCC2)no1 ZINC001441803549 911818326 /nfs/dbraw/zinc/81/83/26/911818326.db2.gz VYSQLXSQBNLDPT-ZDUSSCGKSA-N 2 2 296.371 -0.354 20 0 CBADLP Cc1nnc(C[NH2+][C@@H](CO)CNC(=O)C[N@@H+](C)C(C)C)[nH]1 ZINC001441814723 911822771 /nfs/dbraw/zinc/82/27/71/911822771.db2.gz CTLCZISVDFSYFB-LLVKDONJSA-N 2 2 298.391 -0.980 20 0 CBADLP Cc1nnc(C[NH2+][C@@H](CO)CNC(=O)C[N@H+](C)C(C)C)[nH]1 ZINC001441814723 911822784 /nfs/dbraw/zinc/82/27/84/911822784.db2.gz CTLCZISVDFSYFB-LLVKDONJSA-N 2 2 298.391 -0.980 20 0 CBADLP C[C@@H]([NH2+][C@@H](C)CNC(=O)CCc1c[nH]c[nH+]1)C(=O)N(C)C ZINC001441857773 911835980 /nfs/dbraw/zinc/83/59/80/911835980.db2.gz MHBZZFLXEJJXCC-WDEREUQCSA-N 2 2 295.387 -0.087 20 0 CBADLP C[C@@H]([NH2+][C@@H](C)CNC(=O)CCc1c[nH+]c[nH]1)C(=O)N(C)C ZINC001441857773 911835984 /nfs/dbraw/zinc/83/59/84/911835984.db2.gz MHBZZFLXEJJXCC-WDEREUQCSA-N 2 2 295.387 -0.087 20 0 CBADLP C[C@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+][C@H]1CCCNC1=O ZINC001441869972 911841828 /nfs/dbraw/zinc/84/18/28/911841828.db2.gz WCJISOWZFUMICN-PWSUYJOCSA-N 2 2 293.371 -0.285 20 0 CBADLP C[C@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH2+][C@H]1CCCNC1=O ZINC001441869972 911841842 /nfs/dbraw/zinc/84/18/42/911841842.db2.gz WCJISOWZFUMICN-PWSUYJOCSA-N 2 2 293.371 -0.285 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH2+]CC(N)=O ZINC001441958531 911866940 /nfs/dbraw/zinc/86/69/40/911866940.db2.gz MCUHHCOLNJNAEQ-OPRDCNLKSA-N 2 2 279.344 -0.897 20 0 CBADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001441982214 911880271 /nfs/dbraw/zinc/88/02/71/911880271.db2.gz JNKRRFHUEBEQPV-ZJUUUORDSA-N 2 2 293.371 -0.286 20 0 CBADLP COC[C@H](C)[NH2+]C[C@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001442022416 911892466 /nfs/dbraw/zinc/89/24/66/911892466.db2.gz ONNZGSGOJHCOMM-QWRGUYRKSA-N 2 2 284.360 -0.604 20 0 CBADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+][C@@H]1CCCNC1=O ZINC001442065826 911913976 /nfs/dbraw/zinc/91/39/76/911913976.db2.gz FQCDOKAMSYHVSH-WDEREUQCSA-N 2 2 279.344 -0.744 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC[C@@H](C)[NH2+]Cc1cnn(C)n1 ZINC001442056964 911915736 /nfs/dbraw/zinc/91/57/36/911915736.db2.gz WOWJUXNBTRBVOL-SNVBAGLBSA-N 2 2 291.359 -0.385 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001442152907 911937592 /nfs/dbraw/zinc/93/75/92/911937592.db2.gz OGBKPMFWDJEWJS-MNOVXSKESA-N 2 2 293.371 -0.488 20 0 CBADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001442152907 911937609 /nfs/dbraw/zinc/93/76/09/911937609.db2.gz OGBKPMFWDJEWJS-MNOVXSKESA-N 2 2 293.371 -0.488 20 0 CBADLP C[C@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]CC(N)=O ZINC001442269504 911958968 /nfs/dbraw/zinc/95/89/68/911958968.db2.gz XPAHMIIDKOVFEU-OPRDCNLKSA-N 2 2 279.344 -0.517 20 0 CBADLP C[C@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[NH2+]CC(N)=O ZINC001442269504 911958978 /nfs/dbraw/zinc/95/89/78/911958978.db2.gz XPAHMIIDKOVFEU-OPRDCNLKSA-N 2 2 279.344 -0.517 20 0 CBADLP C[C@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1cnn(C)n1 ZINC001442333569 911974993 /nfs/dbraw/zinc/97/49/93/911974993.db2.gz GJQPXKNIRGACJN-LLVKDONJSA-N 2 2 291.359 -0.304 20 0 CBADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)[C@@H]1CCNC1=O ZINC001442413694 912007521 /nfs/dbraw/zinc/00/75/21/912007521.db2.gz YDVSENVUGYDVAG-CHWSQXEVSA-N 2 2 296.415 -0.203 20 0 CBADLP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)[C@@H]1CCNC1=O ZINC001442413694 912007535 /nfs/dbraw/zinc/00/75/35/912007535.db2.gz YDVSENVUGYDVAG-CHWSQXEVSA-N 2 2 296.415 -0.203 20 0 CBADLP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@H+](C)[C@@H]1CCNC1=O ZINC001442413694 912007551 /nfs/dbraw/zinc/00/75/51/912007551.db2.gz YDVSENVUGYDVAG-CHWSQXEVSA-N 2 2 296.415 -0.203 20 0 CBADLP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@@H+](C)[C@@H]1CCNC1=O ZINC001442413694 912007563 /nfs/dbraw/zinc/00/75/63/912007563.db2.gz YDVSENVUGYDVAG-CHWSQXEVSA-N 2 2 296.415 -0.203 20 0 CBADLP C[N@H+](CCCO)CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001442461234 912020750 /nfs/dbraw/zinc/02/07/50/912020750.db2.gz VMZVFRXWUNUBKD-GFCCVEGCSA-N 2 2 280.372 -0.124 20 0 CBADLP C[N@@H+](CCCO)CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001442461234 912020764 /nfs/dbraw/zinc/02/07/64/912020764.db2.gz VMZVFRXWUNUBKD-GFCCVEGCSA-N 2 2 280.372 -0.124 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@H]1CCC[N@@H+]1[C@@H]1CCNC1=O ZINC001442849218 912112143 /nfs/dbraw/zinc/11/21/43/912112143.db2.gz QQBAHDUKNPDHRS-VXGBXAGGSA-N 2 2 291.355 -0.648 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@H]1CCC[N@H+]1[C@@H]1CCNC1=O ZINC001442849218 912112150 /nfs/dbraw/zinc/11/21/50/912112150.db2.gz QQBAHDUKNPDHRS-VXGBXAGGSA-N 2 2 291.355 -0.648 20 0 CBADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)N(C)C(=O)CC[NH+](C)C ZINC001442914784 912123759 /nfs/dbraw/zinc/12/37/59/912123759.db2.gz ITUMVKMRDBHXCZ-NSHDSACASA-N 2 2 295.387 -0.133 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001442900306 912125550 /nfs/dbraw/zinc/12/55/50/912125550.db2.gz AWYUFVGDRJMRPM-NWDGAFQWSA-N 2 2 293.371 -0.415 20 0 CBADLP CC[C@H](C(N)=O)[N@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001442900306 912125555 /nfs/dbraw/zinc/12/55/55/912125555.db2.gz AWYUFVGDRJMRPM-NWDGAFQWSA-N 2 2 293.371 -0.415 20 0 CBADLP C[C@H](CNC(=O)CC[NH+](C)C)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001442947165 912128301 /nfs/dbraw/zinc/12/83/01/912128301.db2.gz UQJJFXFYUKDXIZ-LLVKDONJSA-N 2 2 295.387 -0.133 20 0 CBADLP CN(CC[NH2+][C@@H]1CCN(C)C1=O)C(=O)Cc1c[nH+]cn1C ZINC001443102448 912157613 /nfs/dbraw/zinc/15/76/13/912157613.db2.gz RNHMBHFHZBQKBZ-GFCCVEGCSA-N 2 2 293.371 -0.759 20 0 CBADLP CC[N@@H+]1CC[C@H]1C(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C ZINC001469344700 915401341 /nfs/dbraw/zinc/40/13/41/915401341.db2.gz YRCBTTROKQHPEQ-RYUDHWBXSA-N 2 2 282.388 -0.341 20 0 CBADLP CC[N@H+]1CC[C@H]1C(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C ZINC001469344700 915401358 /nfs/dbraw/zinc/40/13/58/915401358.db2.gz YRCBTTROKQHPEQ-RYUDHWBXSA-N 2 2 282.388 -0.341 20 0 CBADLP CC[N@@H+]1CC[C@@H]1C(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C ZINC001469344701 915402126 /nfs/dbraw/zinc/40/21/26/915402126.db2.gz YRCBTTROKQHPEQ-VXGBXAGGSA-N 2 2 282.388 -0.341 20 0 CBADLP CC[N@H+]1CC[C@@H]1C(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C ZINC001469344701 915402135 /nfs/dbraw/zinc/40/21/35/915402135.db2.gz YRCBTTROKQHPEQ-VXGBXAGGSA-N 2 2 282.388 -0.341 20 0 CBADLP O=C(CCc1[nH]cc[nH+]1)N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001472080320 915685598 /nfs/dbraw/zinc/68/55/98/915685598.db2.gz NYGHQQYWPYZPGH-SNVBAGLBSA-N 2 2 264.329 -0.068 20 0 CBADLP C[C@@H]1C[N@H+](CCO)CCN1CCC[NH+]1CCOCC1 ZINC001473545382 915829427 /nfs/dbraw/zinc/82/94/27/915829427.db2.gz KMPAHVGZKRIRMP-CQSZACIVSA-N 2 2 271.405 -0.293 20 0 CBADLP C[C@@H]1C[N@@H+](CCO)CCN1CCC[NH+]1CCOCC1 ZINC001473545382 915829443 /nfs/dbraw/zinc/82/94/43/915829443.db2.gz KMPAHVGZKRIRMP-CQSZACIVSA-N 2 2 271.405 -0.293 20 0 CBADLP Cn1nncc1C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC001473995620 915876945 /nfs/dbraw/zinc/87/69/45/915876945.db2.gz IQJKIRJUQZPVKX-CYBMUJFWSA-N 2 2 294.403 -0.689 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N(C)C[C@H]1CC[N@@H+]1CCO ZINC001479266527 916104261 /nfs/dbraw/zinc/10/42/61/916104261.db2.gz QUOLOBUNUKFHHQ-GFCCVEGCSA-N 2 2 266.345 -0.283 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N(C)C[C@H]1CC[N@H+]1CCO ZINC001479266527 916104269 /nfs/dbraw/zinc/10/42/69/916104269.db2.gz QUOLOBUNUKFHHQ-GFCCVEGCSA-N 2 2 266.345 -0.283 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)NC[C@H]1C[C@@H]([NH2+]CCO)C1 ZINC001479300281 916115536 /nfs/dbraw/zinc/11/55/36/916115536.db2.gz NWHAWJPNOCELCG-KLPPZKSPSA-N 2 2 266.345 -0.181 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)NC[C@H]1C[C@@H]([NH2+]CCO)C1 ZINC001479300281 916115545 /nfs/dbraw/zinc/11/55/45/916115545.db2.gz NWHAWJPNOCELCG-KLPPZKSPSA-N 2 2 266.345 -0.181 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)CCc2[nH+]ccn2C)CC[N@@H+]1CCO ZINC001479713047 916160022 /nfs/dbraw/zinc/16/00/22/916160022.db2.gz CKTZEIQSVNWNLP-NEPJUHHUSA-N 2 2 280.372 -0.076 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)CCc2[nH+]ccn2C)CC[N@H+]1CCO ZINC001479713047 916160028 /nfs/dbraw/zinc/16/00/28/916160028.db2.gz CKTZEIQSVNWNLP-NEPJUHHUSA-N 2 2 280.372 -0.076 20 0 CBADLP O=C(NC[C@@H]([NH2+]CCO)C1CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001480026116 916264459 /nfs/dbraw/zinc/26/44/59/916264459.db2.gz BSUJRCPYPFGKEZ-IJLUTSLNSA-N 2 2 278.356 -0.010 20 0 CBADLP O=C(NC[C@@H]([NH2+]CCO)C1CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001480026116 916264477 /nfs/dbraw/zinc/26/44/77/916264477.db2.gz BSUJRCPYPFGKEZ-IJLUTSLNSA-N 2 2 278.356 -0.010 20 0 CBADLP NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001480141722 916308099 /nfs/dbraw/zinc/30/80/99/916308099.db2.gz HNQRAJYACUMAFW-MGCOHNPYSA-N 2 2 265.317 -0.936 20 0 CBADLP NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001480141722 916308121 /nfs/dbraw/zinc/30/81/21/916308121.db2.gz HNQRAJYACUMAFW-MGCOHNPYSA-N 2 2 265.317 -0.936 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H]([NH2+]CCCO)C1 ZINC001480168155 916315441 /nfs/dbraw/zinc/31/54/41/916315441.db2.gz XYWCFAOJGOTVLS-XYPYZODXSA-N 2 2 266.345 -0.418 20 0 CBADLP CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001480226394 916336167 /nfs/dbraw/zinc/33/61/67/916336167.db2.gz QKUTYUROMKXJPL-UTUOFQBUSA-N 2 2 293.371 -0.183 20 0 CBADLP COCC[NH2+][C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001480228222 916338103 /nfs/dbraw/zinc/33/81/03/916338103.db2.gz DGIPLNXYKRIHQI-AOOOYVTPSA-N 2 2 252.318 -0.165 20 0 CBADLP CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001480226393 916339860 /nfs/dbraw/zinc/33/98/60/916339860.db2.gz QKUTYUROMKXJPL-SDDRHHMPSA-N 2 2 293.371 -0.183 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001480238319 916341577 /nfs/dbraw/zinc/34/15/77/916341577.db2.gz RNALTSMGBNIRQS-PHIMTYICSA-N 2 2 295.391 -0.713 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001480238319 916341594 /nfs/dbraw/zinc/34/15/94/916341594.db2.gz RNALTSMGBNIRQS-PHIMTYICSA-N 2 2 295.391 -0.713 20 0 CBADLP NC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001480296959 916355872 /nfs/dbraw/zinc/35/58/72/916355872.db2.gz FYTDBQGVBSNGGY-JTQLQIEISA-N 2 2 279.344 -0.734 20 0 CBADLP CC[C@@H](C)NC(=O)C[NH2+][C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001480542075 916463111 /nfs/dbraw/zinc/46/31/11/916463111.db2.gz JKZJICGWLVRAAY-GHMZBOCLSA-N 2 2 295.387 -0.039 20 0 CBADLP CC[C@H](C)NC(=O)C[NH2+][C@@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001480542078 916464961 /nfs/dbraw/zinc/46/49/61/916464961.db2.gz JKZJICGWLVRAAY-QWRGUYRKSA-N 2 2 295.387 -0.039 20 0 CBADLP CCCNC(=O)[C@H](C)[NH2+][C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001480542256 916465849 /nfs/dbraw/zinc/46/58/49/916465849.db2.gz KQIRHOLJHZOHOF-MNOVXSKESA-N 2 2 295.387 -0.039 20 0 CBADLP CCN1CC[C@H]([NH2+][C@H](C)CNC(=O)Cn2cc[nH+]c2)C1=O ZINC001480605541 916491613 /nfs/dbraw/zinc/49/16/13/916491613.db2.gz XXVXCFKEIWONKG-NEPJUHHUSA-N 2 2 293.371 -0.402 20 0 CBADLP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CC[C@@H](C[NH2+]CCO)C1 ZINC001480650840 916511698 /nfs/dbraw/zinc/51/16/98/916511698.db2.gz GBGPDKKZVBRFLK-QWHCGFSZSA-N 2 2 292.383 -0.124 20 0 CBADLP CN(CC[NH2+]CC(=O)N(C)C1CC1)C(=O)Cc1c[nH+]c[nH]1 ZINC001481285153 916800848 /nfs/dbraw/zinc/80/08/48/916800848.db2.gz SZJCBRZLILCRTK-UHFFFAOYSA-N 2 2 293.371 -0.379 20 0 CBADLP CNC(=O)C[NH2+]CCN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001481290432 916810353 /nfs/dbraw/zinc/81/03/53/916810353.db2.gz JZZCNHLUBDNNJB-JTQLQIEISA-N 2 2 281.360 -0.618 20 0 CBADLP CN(CC[NH2+]CCCO)C(=O)CCc1c[nH+]cn1C ZINC001481309767 916816641 /nfs/dbraw/zinc/81/66/41/916816641.db2.gz ICJHKLADWKVRRB-UHFFFAOYSA-N 2 2 268.361 -0.217 20 0 CBADLP NC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)CCn2cc[nH+]c2)C1 ZINC001481442587 916839702 /nfs/dbraw/zinc/83/97/02/916839702.db2.gz GCFZRLMXWDHJOY-GFCCVEGCSA-N 2 2 293.371 -0.413 20 0 CBADLP NC(=O)C[N@H+]1CC[C@@H](CCNC(=O)CCn2cc[nH+]c2)C1 ZINC001481442587 916839718 /nfs/dbraw/zinc/83/97/18/916839718.db2.gz GCFZRLMXWDHJOY-GFCCVEGCSA-N 2 2 293.371 -0.413 20 0 CBADLP C[NH+](C)CCC(=O)NC1C[NH+](CCOC[C@@H]2CCCO2)C1 ZINC001481581311 916893607 /nfs/dbraw/zinc/89/36/07/916893607.db2.gz TVXYDGHDPGGCFO-AWEZNQCLSA-N 2 2 299.415 -0.066 20 0 CBADLP C[C@H](O)C[NH+]1CC(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001481662894 916934705 /nfs/dbraw/zinc/93/47/05/916934705.db2.gz NRSVDLTXHONMRA-JTQLQIEISA-N 2 2 252.318 -0.688 20 0 CBADLP CC(C)NC(=O)C[NH+]1CC(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001481669316 916942205 /nfs/dbraw/zinc/94/22/05/916942205.db2.gz HZMSIPWVSHUUKB-UHFFFAOYSA-N 2 2 298.431 -0.101 20 0 CBADLP CC(C)NC(=O)C[NH+]1CC(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001481669316 916942217 /nfs/dbraw/zinc/94/22/17/916942217.db2.gz HZMSIPWVSHUUKB-UHFFFAOYSA-N 2 2 298.431 -0.101 20 0 CBADLP CC[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CC(=O)N(C)CC ZINC001481861758 917005641 /nfs/dbraw/zinc/00/56/41/917005641.db2.gz PNXHTMGMCNENQL-LLVKDONJSA-N 2 2 295.387 -0.085 20 0 CBADLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)C[NH2+][C@@H]1CCNC1=O ZINC001482159671 917070610 /nfs/dbraw/zinc/07/06/10/917070610.db2.gz QQLNFMRMWHFCLA-ZYHUDNBSSA-N 2 2 293.371 -0.807 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001482194697 917083267 /nfs/dbraw/zinc/08/32/67/917083267.db2.gz LBQAIRIKGKMZGB-GFCCVEGCSA-N 2 2 282.344 -0.999 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001482194697 917083272 /nfs/dbraw/zinc/08/32/72/917083272.db2.gz LBQAIRIKGKMZGB-GFCCVEGCSA-N 2 2 282.344 -0.999 20 0 CBADLP COCC[N@@H+]1CCO[C@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001482202201 917090953 /nfs/dbraw/zinc/09/09/53/917090953.db2.gz CVFAGFCRGAPFBD-ZIAGYGMSSA-N 2 2 299.415 -0.208 20 0 CBADLP COCC[N@H+]1CCO[C@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001482202201 917090959 /nfs/dbraw/zinc/09/09/59/917090959.db2.gz CVFAGFCRGAPFBD-ZIAGYGMSSA-N 2 2 299.415 -0.208 20 0 CBADLP COCC[NH+]1CCO[C@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001482202201 917090969 /nfs/dbraw/zinc/09/09/69/917090969.db2.gz CVFAGFCRGAPFBD-ZIAGYGMSSA-N 2 2 299.415 -0.208 20 0 CBADLP COCC[NH+]1CCO[C@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001482202201 917090977 /nfs/dbraw/zinc/09/09/77/917090977.db2.gz CVFAGFCRGAPFBD-ZIAGYGMSSA-N 2 2 299.415 -0.208 20 0 CBADLP C[NH+]1CCC(CC(=O)NC[C@H]2C[N@H+](CCO)CCO2)CC1 ZINC001482200686 917091164 /nfs/dbraw/zinc/09/11/64/917091164.db2.gz NFYXCSDQNLTSBS-AWEZNQCLSA-N 2 2 299.415 -0.472 20 0 CBADLP C[NH+]1CCC(CC(=O)NC[C@H]2C[N@@H+](CCO)CCO2)CC1 ZINC001482200686 917091172 /nfs/dbraw/zinc/09/11/72/917091172.db2.gz NFYXCSDQNLTSBS-AWEZNQCLSA-N 2 2 299.415 -0.472 20 0 CBADLP CNC(=O)C[NH2+]C[C@H](CC(C)C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001482392287 917142584 /nfs/dbraw/zinc/14/25/84/917142584.db2.gz FWKUGBINBYGMJD-LBPRGKRZSA-N 2 2 295.387 -0.181 20 0 CBADLP CC(C)C[C@H](C[NH2+][C@H](C)C(N)=O)NC(=O)Cn1cc[nH+]c1 ZINC001482400318 917143450 /nfs/dbraw/zinc/14/34/50/917143450.db2.gz JMTUCLDPHNHEPC-VXGBXAGGSA-N 2 2 295.387 -0.123 20 0 CBADLP CC(C)[C@@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]CCO ZINC001482545393 917158925 /nfs/dbraw/zinc/15/89/25/917158925.db2.gz QPKJYSKSGHPZSS-GFCCVEGCSA-N 2 2 268.361 -0.004 20 0 CBADLP NC(=O)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001482690261 917204411 /nfs/dbraw/zinc/20/44/11/917204411.db2.gz XZDOBVCWFIHGHM-ONGXEEELSA-N 2 2 279.344 -0.688 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CC(N)=O ZINC001482695686 917205369 /nfs/dbraw/zinc/20/53/69/917205369.db2.gz TYOKJDVCDCFFOZ-MNOVXSKESA-N 2 2 293.371 -0.380 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H](O)C[NH2+]Cc1ccccn1 ZINC001482773572 917270822 /nfs/dbraw/zinc/27/08/22/917270822.db2.gz RVCJOZHUGJRZNL-CYBMUJFWSA-N 2 2 289.339 -0.386 20 0 CBADLP CNC(=O)C[NH2+]CC[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001482906371 917329271 /nfs/dbraw/zinc/32/92/71/917329271.db2.gz WZGVUTHHQHLWLG-SNVBAGLBSA-N 2 2 267.333 -0.887 20 0 CBADLP C[C@@H](CC[NH2+]Cc1nnn(C)n1)NC(=O)C[NH+]1CCCC1 ZINC001482899555 917330499 /nfs/dbraw/zinc/33/04/99/917330499.db2.gz RMGJUOIUKHTHDG-NSHDSACASA-N 2 2 295.391 -0.710 20 0 CBADLP C[NH+](C)CCC(=O)NC/C=C/C[NH2+]Cc1cnon1 ZINC001483053092 917393598 /nfs/dbraw/zinc/39/35/98/917393598.db2.gz CAQUVAITATUZRL-ONEGZZNKSA-N 2 2 267.333 -0.217 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]C/C=C\CNC(=O)Cc1c[nH]c[nH+]1 ZINC001483065700 917394901 /nfs/dbraw/zinc/39/49/01/917394901.db2.gz VWIUIPRVNXPUNN-UMBAGQNISA-N 2 2 279.344 -0.651 20 0 CBADLP CCN(C)C(=O)C[NH2+]C/C=C/CNC(=O)Cc1[nH]cc[nH+]1 ZINC001483079384 917400615 /nfs/dbraw/zinc/40/06/15/917400615.db2.gz WJZXEWGVRNNJTC-SNAWJCMRSA-N 2 2 293.371 -0.308 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC/C=C/C[NH2+][C@H]1CCNC1=O ZINC001483086182 917405155 /nfs/dbraw/zinc/40/51/55/917405155.db2.gz DVGGDZZZRIUTHK-VUDBWIFFSA-N 2 2 291.355 -0.589 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC/C=C\C[NH2+][C@@H]1CCNC1=O ZINC001483086178 917405632 /nfs/dbraw/zinc/40/56/32/917405632.db2.gz DVGGDZZZRIUTHK-OTDNITJGSA-N 2 2 291.355 -0.589 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001483134157 917429897 /nfs/dbraw/zinc/42/98/97/917429897.db2.gz FSFMGGOGLPXYBJ-ZJUUUORDSA-N 2 2 281.360 -0.429 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001483134157 917429905 /nfs/dbraw/zinc/42/99/05/917429905.db2.gz FSFMGGOGLPXYBJ-ZJUUUORDSA-N 2 2 281.360 -0.429 20 0 CBADLP CCn1cc(C[NH2+]C[C@@H](C)NC(=O)Cn2cc[nH+]c2)nn1 ZINC001483199490 917461340 /nfs/dbraw/zinc/46/13/40/917461340.db2.gz KMFMBAXUKYDNGW-LLVKDONJSA-N 2 2 291.359 -0.211 20 0 CBADLP C[C@@H](C[NH2+]Cc1ccnn1C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001483217525 917473603 /nfs/dbraw/zinc/47/36/03/917473603.db2.gz SOZXTHZSZRCBBP-WCQYABFASA-N 2 2 295.387 -0.655 20 0 CBADLP C[C@@H](C[NH2+]Cc1ccnn1C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001483217525 917473615 /nfs/dbraw/zinc/47/36/15/917473615.db2.gz SOZXTHZSZRCBBP-WCQYABFASA-N 2 2 295.387 -0.655 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)C1CC1 ZINC001483565133 917594651 /nfs/dbraw/zinc/59/46/51/917594651.db2.gz SGITVKVJMLYINZ-GFCCVEGCSA-N 2 2 293.371 -0.427 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)C1CC1 ZINC001483565133 917594665 /nfs/dbraw/zinc/59/46/65/917594665.db2.gz SGITVKVJMLYINZ-GFCCVEGCSA-N 2 2 293.371 -0.427 20 0 CBADLP C[C@H](O)C[NH2+]C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001483589904 917604879 /nfs/dbraw/zinc/60/48/79/917604879.db2.gz JUEWSGMVAOVRNF-JOYOIKCWSA-N 2 2 266.345 -0.183 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001483656071 917625182 /nfs/dbraw/zinc/62/51/82/917625182.db2.gz WJWFMGRYPUZVRX-VXGBXAGGSA-N 2 2 296.415 -0.075 20 0 CBADLP CC[C@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001483656071 917625199 /nfs/dbraw/zinc/62/51/99/917625199.db2.gz WJWFMGRYPUZVRX-VXGBXAGGSA-N 2 2 296.415 -0.075 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001483656070 917628127 /nfs/dbraw/zinc/62/81/27/917628127.db2.gz WJWFMGRYPUZVRX-RYUDHWBXSA-N 2 2 296.415 -0.075 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001483656070 917628137 /nfs/dbraw/zinc/62/81/37/917628137.db2.gz WJWFMGRYPUZVRX-RYUDHWBXSA-N 2 2 296.415 -0.075 20 0 CBADLP CC(C)N(C)C(=O)C[N@@H+]1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001483676410 917629436 /nfs/dbraw/zinc/62/94/36/917629436.db2.gz KBXUBKBKPZHNRM-ZDUSSCGKSA-N 2 2 298.431 -0.005 20 0 CBADLP CC(C)N(C)C(=O)C[N@H+]1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001483676410 917629447 /nfs/dbraw/zinc/62/94/47/917629447.db2.gz KBXUBKBKPZHNRM-ZDUSSCGKSA-N 2 2 298.431 -0.005 20 0 CBADLP C[C@H]([NH2+]C1(CNC(=O)Cc2[nH]cc[nH+]2)CC1)C(=O)N(C)C ZINC001483778310 917678499 /nfs/dbraw/zinc/67/84/99/917678499.db2.gz CIHHQNVEPPKCTC-JTQLQIEISA-N 2 2 293.371 -0.333 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)NCC1([NH2+]CC(N)=O)CC1 ZINC001483788645 917681046 /nfs/dbraw/zinc/68/10/46/917681046.db2.gz WFGJXRVZIHTTCW-UHFFFAOYSA-N 2 2 279.344 -0.924 20 0 CBADLP C[C@@H](O)C[NH2+]C1(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001483796262 917686285 /nfs/dbraw/zinc/68/62/85/917686285.db2.gz DFIILAXXALXYLX-SNVBAGLBSA-N 2 2 252.318 -0.498 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@H]1C[NH2+]CCO ZINC001483945664 917711258 /nfs/dbraw/zinc/71/12/58/917711258.db2.gz DUBVFAUDTNQTDH-NSHDSACASA-N 2 2 252.318 -0.475 20 0 CBADLP CN(C)C(=O)C[NH2+]C[C@@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001483946109 917713908 /nfs/dbraw/zinc/71/39/08/917713908.db2.gz MRDIWTXKCCZTQS-LBPRGKRZSA-N 2 2 293.371 -0.379 20 0 CBADLP Cn1nncc1C[N@@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001484058882 917730736 /nfs/dbraw/zinc/73/07/36/917730736.db2.gz VOGLNETZNGAFEO-CQSZACIVSA-N 2 2 294.403 -0.153 20 0 CBADLP Cn1nncc1C[N@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001484058882 917730745 /nfs/dbraw/zinc/73/07/45/917730745.db2.gz VOGLNETZNGAFEO-CQSZACIVSA-N 2 2 294.403 -0.153 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+]1CC[C@](C)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001484075195 917736425 /nfs/dbraw/zinc/73/64/25/917736425.db2.gz WBVUBHCASOQJLP-RISCZKNCSA-N 2 2 293.371 -0.272 20 0 CBADLP CC[C@H](C(N)=O)[N@H+]1CC[C@](C)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001484075195 917736441 /nfs/dbraw/zinc/73/64/41/917736441.db2.gz WBVUBHCASOQJLP-RISCZKNCSA-N 2 2 293.371 -0.272 20 0 CBADLP O=C(C[NH+]1CCCC1)NCC1(O)C[NH+](CCCF)C1 ZINC001484310162 917826801 /nfs/dbraw/zinc/82/68/01/917826801.db2.gz WJIXHYULPYKMRX-UHFFFAOYSA-N 2 2 273.352 -0.395 20 0 CBADLP C[NH+](C)CCC(=O)NC[C@H]1COCC[N@@H+]1CCCO ZINC001484600594 917893599 /nfs/dbraw/zinc/89/35/99/917893599.db2.gz HQVRQHPZANNROY-LBPRGKRZSA-N 2 2 273.377 -0.863 20 0 CBADLP C[NH+](C)CCC(=O)NC[C@H]1COCC[N@H+]1CCCO ZINC001484600594 917893606 /nfs/dbraw/zinc/89/36/06/917893606.db2.gz HQVRQHPZANNROY-LBPRGKRZSA-N 2 2 273.377 -0.863 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CCO[C@@H](C[NH2+]CCO)C1 ZINC001484697985 917927317 /nfs/dbraw/zinc/92/73/17/917927317.db2.gz REKRSVOWYZNGEB-NSHDSACASA-N 2 2 282.344 -0.930 20 0 CBADLP C[C@@H](O)C[NH2+]C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001484694643 917927668 /nfs/dbraw/zinc/92/76/68/917927668.db2.gz CTNSSFQZRFZJCE-MNOVXSKESA-N 2 2 282.344 -0.850 20 0 CBADLP CC[NH2+]CC1(NC(=O)[C@@H]2C[N@H+](C)CCO2)CCOCC1 ZINC001484861256 917949949 /nfs/dbraw/zinc/94/99/49/917949949.db2.gz MKOQRGGPCZOCND-LBPRGKRZSA-N 2 2 285.388 -0.408 20 0 CBADLP CC[NH2+]CC1(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CCOCC1 ZINC001484861256 917949964 /nfs/dbraw/zinc/94/99/64/917949964.db2.gz MKOQRGGPCZOCND-LBPRGKRZSA-N 2 2 285.388 -0.408 20 0 CBADLP CC[NH2+]CC1(NC(=O)[C@H]2C[N@H+](C)CCO2)CCOCC1 ZINC001484861255 917951948 /nfs/dbraw/zinc/95/19/48/917951948.db2.gz MKOQRGGPCZOCND-GFCCVEGCSA-N 2 2 285.388 -0.408 20 0 CBADLP CC[NH2+]CC1(NC(=O)[C@H]2C[N@@H+](C)CCO2)CCOCC1 ZINC001484861255 917951962 /nfs/dbraw/zinc/95/19/62/917951962.db2.gz MKOQRGGPCZOCND-GFCCVEGCSA-N 2 2 285.388 -0.408 20 0 CBADLP CCNC(=O)C[NH2+][C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001484899162 917963488 /nfs/dbraw/zinc/96/34/88/917963488.db2.gz KVSVMJHBAKLQCI-PWSUYJOCSA-N 2 2 293.371 -0.475 20 0 CBADLP CNC(=O)C[NH2+]C1(C)CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001484925478 917966317 /nfs/dbraw/zinc/96/63/17/917966317.db2.gz LTJGHUPKLKXHNK-UHFFFAOYSA-N 2 2 293.371 -0.331 20 0 CBADLP O=C(NC1CC(C[NH2+]CCO)C1)[C@H]1CCn2cc[nH+]c2C1 ZINC001485096108 917995279 /nfs/dbraw/zinc/99/52/79/917995279.db2.gz PSRDHLWAORNXOB-CPCZMJQVSA-N 2 2 292.383 -0.078 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC1CC(C[NH2+]CCCO)C1 ZINC001485105831 917999064 /nfs/dbraw/zinc/99/90/64/917999064.db2.gz NLFXAKUNNNDGEM-UHFFFAOYSA-N 2 2 266.345 -0.181 20 0 CBADLP CC(C)NC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001485234888 918039353 /nfs/dbraw/zinc/03/93/53/918039353.db2.gz OYEIHYNNECPFFM-VXGBXAGGSA-N 2 2 295.387 -0.110 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH+](C)Cc1cnnn1C ZINC001485288913 918054741 /nfs/dbraw/zinc/05/47/41/918054741.db2.gz XFCCQEDVWSCLON-AAEUAGOBSA-N 2 2 294.403 -0.154 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH+](C)Cc1cnnn1C ZINC001485288913 918054757 /nfs/dbraw/zinc/05/47/57/918054757.db2.gz XFCCQEDVWSCLON-AAEUAGOBSA-N 2 2 294.403 -0.154 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C)[N@H+](C)Cc1cnnn1C ZINC001485288913 918054774 /nfs/dbraw/zinc/05/47/74/918054774.db2.gz XFCCQEDVWSCLON-AAEUAGOBSA-N 2 2 294.403 -0.154 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C)[N@@H+](C)Cc1cnnn1C ZINC001485288913 918054791 /nfs/dbraw/zinc/05/47/91/918054791.db2.gz XFCCQEDVWSCLON-AAEUAGOBSA-N 2 2 294.403 -0.154 20 0 CBADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[N@H+](C)[C@@H]1CCCNC1=O ZINC001485395239 918110829 /nfs/dbraw/zinc/11/08/29/918110829.db2.gz LIQMKPGFZBQMPT-NWDGAFQWSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[N@@H+](C)[C@@H]1CCCNC1=O ZINC001485395239 918110842 /nfs/dbraw/zinc/11/08/42/918110842.db2.gz LIQMKPGFZBQMPT-NWDGAFQWSA-N 2 2 293.371 -0.402 20 0 CBADLP C[N@@H+]1CC[C@H](C(=O)NC2(CCO)C[NH+](CCCF)C2)C1 ZINC001485424819 918122898 /nfs/dbraw/zinc/12/28/98/918122898.db2.gz VGZLBUMEYRLTJM-LBPRGKRZSA-N 2 2 287.379 -0.149 20 0 CBADLP C[N@H+]1CC[C@H](C(=O)NC2(CCO)C[NH+](CCCF)C2)C1 ZINC001485424819 918122908 /nfs/dbraw/zinc/12/29/08/918122908.db2.gz VGZLBUMEYRLTJM-LBPRGKRZSA-N 2 2 287.379 -0.149 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N[C@H](C)C1C[NH+](CC(N)=O)C1 ZINC001485539903 918140474 /nfs/dbraw/zinc/14/04/74/918140474.db2.gz PQQYUAAAAUPILG-SNVBAGLBSA-N 2 2 270.377 -0.752 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C1C[NH+](CC(N)=O)C1 ZINC001485539903 918140480 /nfs/dbraw/zinc/14/04/80/918140480.db2.gz PQQYUAAAAUPILG-SNVBAGLBSA-N 2 2 270.377 -0.752 20 0 CBADLP C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1C[NH+](CC(N)=O)C1 ZINC001485526356 918140578 /nfs/dbraw/zinc/14/05/78/918140578.db2.gz NGYDZWYKYVPXBH-LLVKDONJSA-N 2 2 298.431 -0.114 20 0 CBADLP C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1C[NH+](CC(N)=O)C1 ZINC001485526356 918140585 /nfs/dbraw/zinc/14/05/85/918140585.db2.gz NGYDZWYKYVPXBH-LLVKDONJSA-N 2 2 298.431 -0.114 20 0 CBADLP C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1C[NH+](CC(N)=O)C1 ZINC001485526358 918141458 /nfs/dbraw/zinc/14/14/58/918141458.db2.gz NGYDZWYKYVPXBH-NSHDSACASA-N 2 2 298.431 -0.114 20 0 CBADLP C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1C[NH+](CC(N)=O)C1 ZINC001485526358 918141475 /nfs/dbraw/zinc/14/14/75/918141475.db2.gz NGYDZWYKYVPXBH-NSHDSACASA-N 2 2 298.431 -0.114 20 0 CBADLP C[C@H](CCC[NH2+]CCO)NC(=O)Cc1[nH]cc[nH+]1 ZINC001485743197 918181356 /nfs/dbraw/zinc/18/13/56/918181356.db2.gz FYWSIATZSKZYTQ-SNVBAGLBSA-N 2 2 254.334 -0.181 20 0 CBADLP C[C@H]([NH2+]C[C@@H](C1CC1)N(C)C(=O)Cc1[nH]cc[nH+]1)C(N)=O ZINC001485830194 918199910 /nfs/dbraw/zinc/19/99/10/918199910.db2.gz AUPYPTOOLDMGTH-ONGXEEELSA-N 2 2 293.371 -0.347 20 0 CBADLP C[C@H](CN(C)C(=O)Cc1[nH]cc[nH+]1)[NH2+]CCCO ZINC001485938732 918235078 /nfs/dbraw/zinc/23/50/78/918235078.db2.gz RSDYXDDLDFRSHM-SNVBAGLBSA-N 2 2 254.334 -0.229 20 0 CBADLP COCC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001486011493 918302002 /nfs/dbraw/zinc/30/20/02/918302002.db2.gz VGOGWXLJYDTURD-NWDGAFQWSA-N 2 2 296.371 -0.841 20 0 CBADLP COCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001486011495 918303307 /nfs/dbraw/zinc/30/33/07/918303307.db2.gz VGOGWXLJYDTURD-VXGBXAGGSA-N 2 2 296.371 -0.841 20 0 CBADLP CC(C)[NH2+][C@H](CO)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001486038448 918331650 /nfs/dbraw/zinc/33/16/50/918331650.db2.gz YMEVZPZLNMUZPC-QJPTWQEYSA-N 2 2 280.372 -0.001 20 0 CBADLP CN(C[C@H](O)C[N@H+](C)CCCO)C(=O)Cc1c[nH+]cn1C ZINC001486357097 918451313 /nfs/dbraw/zinc/45/13/13/918451313.db2.gz VPMAISFKLYBYLT-CYBMUJFWSA-N 2 2 298.387 -0.904 20 0 CBADLP CN(C[C@H](O)C[N@@H+](C)CCCO)C(=O)Cc1c[nH+]cn1C ZINC001486357097 918451324 /nfs/dbraw/zinc/45/13/24/918451324.db2.gz VPMAISFKLYBYLT-CYBMUJFWSA-N 2 2 298.387 -0.904 20 0 CBADLP CCNC(=O)C[NH2+]C1CC(N(C)C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001486479149 918472317 /nfs/dbraw/zinc/47/23/17/918472317.db2.gz BUOXACCOGLPYAN-UHFFFAOYSA-N 2 2 293.371 -0.333 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NCCC[N@H+](C)CCO ZINC001490269682 918882912 /nfs/dbraw/zinc/88/29/12/918882912.db2.gz FGAPPMBYAXOEKR-UHFFFAOYSA-N 2 2 254.334 -0.607 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NCCC[N@@H+](C)CCO ZINC001490269682 918882929 /nfs/dbraw/zinc/88/29/29/918882929.db2.gz FGAPPMBYAXOEKR-UHFFFAOYSA-N 2 2 254.334 -0.607 20 0 CBADLP O=C(NCC[NH+]1CCN(CCF)CC1)C12CC[NH+](CC1)C2 ZINC001490509675 918926157 /nfs/dbraw/zinc/92/61/57/918926157.db2.gz WKCDRHPJVLNWSW-UHFFFAOYSA-N 2 2 298.406 -0.215 20 0 CBADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCNC(=O)CC[NH+](C)C ZINC001491333057 919116392 /nfs/dbraw/zinc/11/63/92/919116392.db2.gz ZVXMAEJSRTZSCA-NSHDSACASA-N 2 2 295.387 -0.228 20 0 CBADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCNC(=O)CC[NH+](C)C ZINC001491333057 919116398 /nfs/dbraw/zinc/11/63/98/919116398.db2.gz ZVXMAEJSRTZSCA-NSHDSACASA-N 2 2 295.387 -0.228 20 0 CBADLP C[C@@H]([NH2+][C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1)C(=O)N(C)C ZINC001491622740 919234532 /nfs/dbraw/zinc/23/45/32/919234532.db2.gz CLIDVTPLQIJBSM-VHSXEESVSA-N 2 2 281.360 -0.477 20 0 CBADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CCNC(=O)C1CC1 ZINC001491622577 919234864 /nfs/dbraw/zinc/23/48/64/919234864.db2.gz AWACMGPLKFHZQS-SNVBAGLBSA-N 2 2 293.371 -0.427 20 0 CBADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CCNC(=O)C1CC1 ZINC001491694426 919255590 /nfs/dbraw/zinc/25/55/90/919255590.db2.gz QVEURYRMXWKKBU-LLVKDONJSA-N 2 2 293.371 -0.496 20 0 CBADLP NC(=O)C[N@@H+]1CCC[C@@H]1CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001492171047 919329336 /nfs/dbraw/zinc/32/93/36/919329336.db2.gz KETQVJQNDBABLY-NSHDSACASA-N 2 2 293.371 -0.202 20 0 CBADLP NC(=O)C[N@H+]1CCC[C@@H]1CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001492171047 919329342 /nfs/dbraw/zinc/32/93/42/919329342.db2.gz KETQVJQNDBABLY-NSHDSACASA-N 2 2 293.371 -0.202 20 0 CBADLP CNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001492304192 919386542 /nfs/dbraw/zinc/38/65/42/919386542.db2.gz TWGCYNBTZYSIAQ-STQMWFEESA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001492304192 919386559 /nfs/dbraw/zinc/38/65/59/919386559.db2.gz TWGCYNBTZYSIAQ-STQMWFEESA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[NH+](C)CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001492304192 919386574 /nfs/dbraw/zinc/38/65/74/919386574.db2.gz TWGCYNBTZYSIAQ-STQMWFEESA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[NH+](C)CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001492304192 919386591 /nfs/dbraw/zinc/38/65/91/919386591.db2.gz TWGCYNBTZYSIAQ-STQMWFEESA-N 2 2 296.415 -0.203 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NCC[N@@H+](C)[C@@H](C)C(N)=O ZINC001492856484 919437655 /nfs/dbraw/zinc/43/76/55/919437655.db2.gz BUZLDAQGZBDDHR-VIFPVBQESA-N 2 2 267.333 -0.887 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NCC[N@H+](C)[C@@H](C)C(N)=O ZINC001492856484 919437663 /nfs/dbraw/zinc/43/76/63/919437663.db2.gz BUZLDAQGZBDDHR-VIFPVBQESA-N 2 2 267.333 -0.887 20 0 CBADLP CC[N@H+](CCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21)CC(N)=O ZINC001493028765 919469695 /nfs/dbraw/zinc/46/96/95/919469695.db2.gz GKLFAHCSMSJLIW-STQMWFEESA-N 2 2 296.415 -0.073 20 0 CBADLP CC[N@@H+](CCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21)CC(N)=O ZINC001493028765 919469701 /nfs/dbraw/zinc/46/97/01/919469701.db2.gz GKLFAHCSMSJLIW-STQMWFEESA-N 2 2 296.415 -0.073 20 0 CBADLP CC[NH+](CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21)CC(N)=O ZINC001493028765 919469705 /nfs/dbraw/zinc/46/97/05/919469705.db2.gz GKLFAHCSMSJLIW-STQMWFEESA-N 2 2 296.415 -0.073 20 0 CBADLP CC[NH+](CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21)CC(N)=O ZINC001493028765 919469710 /nfs/dbraw/zinc/46/97/10/919469710.db2.gz GKLFAHCSMSJLIW-STQMWFEESA-N 2 2 296.415 -0.073 20 0 CBADLP CC[C@H](C(N)=O)[N@H+](CC)CCNC(=O)Cc1c[nH+]cn1C ZINC001493043017 919472134 /nfs/dbraw/zinc/47/21/34/919472134.db2.gz LQNINECWPFFRQE-GFCCVEGCSA-N 2 2 295.387 -0.335 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+](CC)CCNC(=O)Cc1c[nH+]cn1C ZINC001493043017 919472144 /nfs/dbraw/zinc/47/21/44/919472144.db2.gz LQNINECWPFFRQE-GFCCVEGCSA-N 2 2 295.387 -0.335 20 0 CBADLP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+](Cc2cnon2)C1 ZINC001493234732 919509546 /nfs/dbraw/zinc/50/95/46/919509546.db2.gz SNBRWOMBTVTPPW-NSHDSACASA-N 2 2 281.360 -0.041 20 0 CBADLP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+](Cc2cnon2)C1 ZINC001493234732 919509559 /nfs/dbraw/zinc/50/95/59/919509559.db2.gz SNBRWOMBTVTPPW-NSHDSACASA-N 2 2 281.360 -0.041 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001493267657 919513898 /nfs/dbraw/zinc/51/38/98/919513898.db2.gz AGOHYSUTYFLXLE-NSHDSACASA-N 2 2 279.344 -0.933 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001493267657 919513909 /nfs/dbraw/zinc/51/39/09/919513909.db2.gz AGOHYSUTYFLXLE-NSHDSACASA-N 2 2 279.344 -0.933 20 0 CBADLP CCC[N@H+](CCNC(=O)Cn1c[nH+]cc1C)[C@@H](C)C(N)=O ZINC001493304906 919518127 /nfs/dbraw/zinc/51/81/27/919518127.db2.gz SAXPUCVEIPTQEC-LBPRGKRZSA-N 2 2 295.387 -0.106 20 0 CBADLP CCC[N@@H+](CCNC(=O)Cn1c[nH+]cc1C)[C@@H](C)C(N)=O ZINC001493304906 919518140 /nfs/dbraw/zinc/51/81/40/919518140.db2.gz SAXPUCVEIPTQEC-LBPRGKRZSA-N 2 2 295.387 -0.106 20 0 CBADLP CN(CC[NH2+][C@@H]1CCCNC1=O)C(=O)CCn1cc[nH+]c1 ZINC001493643896 919592287 /nfs/dbraw/zinc/59/22/87/919592287.db2.gz KLPNTAKOPFNCNU-GFCCVEGCSA-N 2 2 293.371 -0.400 20 0 CBADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CC[NH2+][C@@H]1CCNC1=O ZINC001493727416 919610718 /nfs/dbraw/zinc/61/07/18/919610718.db2.gz XVCFUEVMHSGVOI-CMPLNLGQSA-N 2 2 293.371 -0.475 20 0 CBADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CC[NH2+][C@@H]1CCNC1=O ZINC001493727416 919610725 /nfs/dbraw/zinc/61/07/25/919610725.db2.gz XVCFUEVMHSGVOI-CMPLNLGQSA-N 2 2 293.371 -0.475 20 0 CBADLP COC[C@@H](O)C[NH2+]CCN(C)C(=O)Cc1c[nH+]cn1C ZINC001493764092 919617270 /nfs/dbraw/zinc/61/72/70/919617270.db2.gz PWCSYPABMJDUBM-LBPRGKRZSA-N 2 2 284.360 -0.982 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N(C)CC[NH2+]Cc1cnn(C)n1 ZINC001493793891 919622230 /nfs/dbraw/zinc/62/22/30/919622230.db2.gz OJCWJVUHTMAMHW-UHFFFAOYSA-N 2 2 291.359 -0.432 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCC[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001494077598 919652174 /nfs/dbraw/zinc/65/21/74/919652174.db2.gz YROFJVOBRYMQPT-LLVKDONJSA-N 2 2 293.371 -0.426 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCC[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001494077598 919652184 /nfs/dbraw/zinc/65/21/84/919652184.db2.gz YROFJVOBRYMQPT-LLVKDONJSA-N 2 2 293.371 -0.426 20 0 CBADLP CNC(=O)C[N@H+](C)C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001494181681 919666241 /nfs/dbraw/zinc/66/62/41/919666241.db2.gz LDVSCBXKYYFING-GFCCVEGCSA-N 2 2 293.371 -0.591 20 0 CBADLP CNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001494181681 919666250 /nfs/dbraw/zinc/66/62/50/919666250.db2.gz LDVSCBXKYYFING-GFCCVEGCSA-N 2 2 293.371 -0.591 20 0 CBADLP C[N@@H+](CC(N)=O)C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001494168001 919668276 /nfs/dbraw/zinc/66/82/76/919668276.db2.gz WTZQBTTYNSCDGR-JTQLQIEISA-N 2 2 279.344 -0.782 20 0 CBADLP C[N@H+](CC(N)=O)C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001494168001 919668289 /nfs/dbraw/zinc/66/82/89/919668289.db2.gz WTZQBTTYNSCDGR-JTQLQIEISA-N 2 2 279.344 -0.782 20 0 CBADLP C[NH+](C)CCCC(=O)NCC1C[NH+]([C@H]2CCNC2=O)C1 ZINC001494584464 919741723 /nfs/dbraw/zinc/74/17/23/919741723.db2.gz HPSQDXRNEFPXHS-LBPRGKRZSA-N 2 2 282.388 -0.735 20 0 CBADLP CC[C@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+]CCO ZINC001494995395 919834959 /nfs/dbraw/zinc/83/49/59/919834959.db2.gz SMLNQVZJUKNIEK-SNVBAGLBSA-N 2 2 254.334 -0.181 20 0 CBADLP CC[C@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH2+]CCO ZINC001494995395 919834968 /nfs/dbraw/zinc/83/49/68/919834968.db2.gz SMLNQVZJUKNIEK-SNVBAGLBSA-N 2 2 254.334 -0.181 20 0 CBADLP C[C@@H](C[NH2+]CC(N)=O)N(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001496077425 920021839 /nfs/dbraw/zinc/02/18/39/920021839.db2.gz DOQNRORRSAUJAV-VIFPVBQESA-N 2 2 267.333 -0.736 20 0 CBADLP C[C@H](O)C[NH2+]C[C@H](C)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001496191909 920040262 /nfs/dbraw/zinc/04/02/62/920040262.db2.gz LTDUCMVMQMBZJI-UWVGGRQHSA-N 2 2 254.334 -0.231 20 0 CBADLP CC[C@@H]([NH2+]C[C@@H](C)N(C)C(=O)Cn1cc[nH+]c1)C(N)=O ZINC001496241695 920053161 /nfs/dbraw/zinc/05/31/61/920053161.db2.gz CDRQLXRNANITOU-GHMZBOCLSA-N 2 2 281.360 -0.417 20 0 CBADLP C[C@@H]([NH2+]CC(N)=O)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001496458327 920073777 /nfs/dbraw/zinc/07/37/77/920073777.db2.gz CTSCFDPMQRKVEO-NEPJUHHUSA-N 2 2 293.371 -0.415 20 0 CBADLP CC(C)[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CCO ZINC001496643799 920100973 /nfs/dbraw/zinc/10/09/73/920100973.db2.gz WFPTUYFRMWEJBJ-NSHDSACASA-N 2 2 254.334 -0.394 20 0 CBADLP CN(CC[N@H+](C)CC(N)=O)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001496816013 920135577 /nfs/dbraw/zinc/13/55/77/920135577.db2.gz ATHPWEVYEVWIBZ-QWHCGFSZSA-N 2 2 298.431 -0.018 20 0 CBADLP CN(CC[N@@H+](C)CC(N)=O)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001496816013 920135586 /nfs/dbraw/zinc/13/55/86/920135586.db2.gz ATHPWEVYEVWIBZ-QWHCGFSZSA-N 2 2 298.431 -0.018 20 0 CBADLP CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001496999852 920199845 /nfs/dbraw/zinc/19/98/45/920199845.db2.gz ZTMDLLWSPNEIAX-IVZWLZJFSA-N 2 2 252.318 -0.400 20 0 CBADLP CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001496999852 920199859 /nfs/dbraw/zinc/19/98/59/920199859.db2.gz ZTMDLLWSPNEIAX-IVZWLZJFSA-N 2 2 252.318 -0.400 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001497830962 920408848 /nfs/dbraw/zinc/40/88/48/920408848.db2.gz ADPXQRDIQRSGSN-OPRDCNLKSA-N 2 2 279.344 -0.647 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001498424548 920582072 /nfs/dbraw/zinc/58/20/72/920582072.db2.gz GLHPIFBPGMWUMJ-GHMZBOCLSA-N 2 2 295.387 -0.466 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001498424548 920582086 /nfs/dbraw/zinc/58/20/86/920582086.db2.gz GLHPIFBPGMWUMJ-GHMZBOCLSA-N 2 2 295.387 -0.466 20 0 CBADLP CC[C@H]([NH2+]C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C1CC1)C(N)=O ZINC001498845325 920646274 /nfs/dbraw/zinc/64/62/74/920646274.db2.gz JAQBZGWARZSDSI-WDEREUQCSA-N 2 2 293.371 -0.300 20 0 CBADLP CCN1CC[C@@H]([N@@H+]2CC[C@H]2CNC(=O)CC[NH+](C)C)C1=O ZINC001499050051 920690413 /nfs/dbraw/zinc/69/04/13/920690413.db2.gz MHEHBFFKFSRFQV-QWHCGFSZSA-N 2 2 296.415 -0.251 20 0 CBADLP CCN1CC[C@@H]([N@H+]2CC[C@H]2CNC(=O)CC[NH+](C)C)C1=O ZINC001499050051 920690419 /nfs/dbraw/zinc/69/04/19/920690419.db2.gz MHEHBFFKFSRFQV-QWHCGFSZSA-N 2 2 296.415 -0.251 20 0 CBADLP NC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001499268505 920729625 /nfs/dbraw/zinc/72/96/25/920729625.db2.gz GJTDKMOTLRJAIQ-SNVBAGLBSA-N 2 2 291.355 -0.831 20 0 CBADLP CN(C)C(=O)C[NH2+]C1(CNC(=O)CCn2cc[nH+]c2)CC1 ZINC001499305393 920733432 /nfs/dbraw/zinc/73/34/32/920733432.db2.gz FXHSKEWTJCOQHR-UHFFFAOYSA-N 2 2 293.371 -0.400 20 0 CBADLP COCC[NH2+]C1(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001499363601 920740494 /nfs/dbraw/zinc/74/04/94/920740494.db2.gz XLFWPVRIUQUOJH-UHFFFAOYSA-N 2 2 252.318 -0.163 20 0 CBADLP C[C@@H](O)C[NH+]1CC(N(C)C(=O)C[N@H+](C)C2CCC2)C1 ZINC001499689728 920767724 /nfs/dbraw/zinc/76/77/24/920767724.db2.gz PGONDFUDAXMHSC-LLVKDONJSA-N 2 2 269.389 -0.006 20 0 CBADLP C[C@@H](O)C[NH+]1CC(N(C)C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001499689728 920767736 /nfs/dbraw/zinc/76/77/36/920767736.db2.gz PGONDFUDAXMHSC-LLVKDONJSA-N 2 2 269.389 -0.006 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NCC1([NH2+]CCO)CCOCC1 ZINC001500587145 920840026 /nfs/dbraw/zinc/84/00/26/920840026.db2.gz YFHHCSJUCOBFLG-UHFFFAOYSA-N 2 2 282.344 -0.801 20 0 CBADLP CC[C@H](C[NH+]1CC(O)(CNC(=O)C[NH+]2CCCC2)C1)OC ZINC001500977943 920933299 /nfs/dbraw/zinc/93/32/99/920933299.db2.gz AQSWFEBILWRSPB-CYBMUJFWSA-N 2 2 299.415 -0.330 20 0 CBADLP CCOCCC[NH+]1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001500978680 920934315 /nfs/dbraw/zinc/93/43/15/920934315.db2.gz ZKTOIHFMENNQKA-ZDUSSCGKSA-N 2 2 299.415 -0.472 20 0 CBADLP CCOCCC[NH+]1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001500978680 920934327 /nfs/dbraw/zinc/93/43/27/920934327.db2.gz ZKTOIHFMENNQKA-ZDUSSCGKSA-N 2 2 299.415 -0.472 20 0 CBADLP CCC[NH2+]CCN(CCO)C(=O)Cc1[nH]cc[nH+]1 ZINC001501503873 921032451 /nfs/dbraw/zinc/03/24/51/921032451.db2.gz KMEPHFASBPOYFU-UHFFFAOYSA-N 2 2 254.334 -0.227 20 0 CBADLP C[NH+](C)CCC(=O)NC/C=C/CNC(=O)Cc1[nH]cc[nH+]1 ZINC001501969204 921076013 /nfs/dbraw/zinc/07/60/13/921076013.db2.gz CRRDKGAQMMWDEY-ONEGZZNKSA-N 2 2 293.371 -0.308 20 0 CBADLP CC[NH2+]C[C@H](O)CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001507549195 921863422 /nfs/dbraw/zinc/86/34/22/921863422.db2.gz WNENQQFYVTVTQI-JTQLQIEISA-N 2 2 254.334 -0.311 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N(C)C[C@H](O)C[N@H+](C)CCF ZINC001507726563 921892342 /nfs/dbraw/zinc/89/23/42/921892342.db2.gz GUEZHWVSWLRQQV-GFCCVEGCSA-N 2 2 286.351 -0.088 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N(C)C[C@H](O)C[N@@H+](C)CCF ZINC001507726563 921892351 /nfs/dbraw/zinc/89/23/51/921892351.db2.gz GUEZHWVSWLRQQV-GFCCVEGCSA-N 2 2 286.351 -0.088 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@]23C[C@H]2CCC[NH2+]3)CC1 ZINC001521425156 922354721 /nfs/dbraw/zinc/35/47/21/922354721.db2.gz STXVVKJAPAKOMX-OCCSQVGLSA-N 2 2 267.373 -0.081 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)CC2CC([NH3+])C2)CCO1 ZINC001521464255 922356104 /nfs/dbraw/zinc/35/61/04/922356104.db2.gz RLBWCALQCUPXPG-UNXYVOJBSA-N 2 2 255.362 -0.049 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)CC2CC([NH3+])C2)CCO1 ZINC001521464255 922356116 /nfs/dbraw/zinc/35/61/16/922356116.db2.gz RLBWCALQCUPXPG-UNXYVOJBSA-N 2 2 255.362 -0.049 20 0 CBADLP CC(C)c1[nH+]ccn1CC(=O)N1CC[NH2+]C[C@@H]1CO ZINC001522418774 922413935 /nfs/dbraw/zinc/41/39/35/922413935.db2.gz SRDHPJIQJYUHDQ-LLVKDONJSA-N 2 2 266.345 -0.201 20 0 CBADLP C[C@]1(C(=O)NCC[NH+]2CCC([NH3+])CC2)CCC[NH2+]1 ZINC001522639175 922493786 /nfs/dbraw/zinc/49/37/86/922493786.db2.gz KAUQUTMYGCFTNN-CYBMUJFWSA-N 3 2 254.378 -0.332 20 0 CBADLP CC[C@@H](C)[C@H]([NH3+])C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001522638562 922494978 /nfs/dbraw/zinc/49/49/78/922494978.db2.gz IWWSBMNAIMZUAD-PWSUYJOCSA-N 3 2 256.394 -0.101 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001526450234 922707508 /nfs/dbraw/zinc/70/75/08/922707508.db2.gz LUCIAHXASZAWAV-PWSUYJOCSA-N 2 2 293.371 -0.333 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001526450234 922707522 /nfs/dbraw/zinc/70/75/22/922707522.db2.gz LUCIAHXASZAWAV-PWSUYJOCSA-N 2 2 293.371 -0.333 20 0 CBADLP CC[N@H+](C)CCC(=O)NC1CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001530644448 922956368 /nfs/dbraw/zinc/95/63/68/922956368.db2.gz LBPAPOFJUQMZER-UHFFFAOYSA-N 2 2 293.371 -0.379 20 0 CBADLP CC[N@@H+](C)CCC(=O)NC1CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001530644448 922956380 /nfs/dbraw/zinc/95/63/80/922956380.db2.gz LBPAPOFJUQMZER-UHFFFAOYSA-N 2 2 293.371 -0.379 20 0 CBADLP CC[N@@H+]1CC[C@@H]1C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC001542651509 923274198 /nfs/dbraw/zinc/27/41/98/923274198.db2.gz WSPRJUDBWAZRNL-GFCCVEGCSA-N 2 2 269.389 -0.004 20 0 CBADLP CC[N@H+]1CC[C@@H]1C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC001542651509 923274213 /nfs/dbraw/zinc/27/42/13/923274213.db2.gz WSPRJUDBWAZRNL-GFCCVEGCSA-N 2 2 269.389 -0.004 20 0 CBADLP CC[N@@H+]1CC[C@H]1C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC001543383394 923289082 /nfs/dbraw/zinc/28/90/82/923289082.db2.gz KIDQNWHOWKKPDW-RYUDHWBXSA-N 2 2 254.378 -0.557 20 0 CBADLP CC[N@H+]1CC[C@H]1C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC001543383394 923289090 /nfs/dbraw/zinc/28/90/90/923289090.db2.gz KIDQNWHOWKKPDW-RYUDHWBXSA-N 2 2 254.378 -0.557 20 0 CBADLP CC[NH+]1CC[C@H]1C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001543383394 923289124 /nfs/dbraw/zinc/28/91/24/923289124.db2.gz KIDQNWHOWKKPDW-RYUDHWBXSA-N 2 2 254.378 -0.557 20 0 CBADLP O=C(C[NH+]1CCC(CO)CC1)NCC[N@@H+]1CCCOCC1 ZINC001548466691 923356234 /nfs/dbraw/zinc/35/62/34/923356234.db2.gz DETPMTGJBPSUNY-UHFFFAOYSA-N 2 2 299.415 -0.471 20 0 CBADLP O=C(C[NH+]1CCC(CO)CC1)NCC[N@H+]1CCCOCC1 ZINC001548466691 923356247 /nfs/dbraw/zinc/35/62/47/923356247.db2.gz DETPMTGJBPSUNY-UHFFFAOYSA-N 2 2 299.415 -0.471 20 0 CBADLP CN1CC[NH2+]C[C@H]1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001548496533 923356771 /nfs/dbraw/zinc/35/67/71/923356771.db2.gz NUABNBWWMJHYNH-ZDUSSCGKSA-N 2 2 289.383 -0.366 20 0 CBADLP Nc1cc(N2CCC(O)(C[NH+]3CCOCC3)CC2)nc[nH+]1 ZINC001548513843 923363825 /nfs/dbraw/zinc/36/38/25/923363825.db2.gz WRHMROLDBRAKDK-UHFFFAOYSA-N 2 2 293.371 -0.278 20 0 CBADLP O=C(NCCn1cc[nH+]c1)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC001548549864 923377528 /nfs/dbraw/zinc/37/75/28/923377528.db2.gz NTMYZGGPWBOWCW-ZDUSSCGKSA-N 2 2 277.328 -0.102 20 0 CBADLP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC001548723974 923474750 /nfs/dbraw/zinc/47/47/50/923474750.db2.gz FLPZZPFMSOMQSJ-YRGRVCCFSA-N 2 2 289.383 -0.298 20 0 CBADLP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC001548723974 923474757 /nfs/dbraw/zinc/47/47/57/923474757.db2.gz FLPZZPFMSOMQSJ-YRGRVCCFSA-N 2 2 289.383 -0.298 20 0 CBADLP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CC[NH+](CCCF)CC1 ZINC001548723912 923476333 /nfs/dbraw/zinc/47/63/33/923476333.db2.gz BHGFTLWDDNTWQS-KBPBESRZSA-N 2 2 298.406 -0.122 20 0 CBADLP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CC[NH+](CCCF)CC1 ZINC001548723912 923476344 /nfs/dbraw/zinc/47/63/44/923476344.db2.gz BHGFTLWDDNTWQS-KBPBESRZSA-N 2 2 298.406 -0.122 20 0 CBADLP Cn1cc([C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@@H]2[NH3+])cn1 ZINC001549074348 923553874 /nfs/dbraw/zinc/55/38/74/923553874.db2.gz RYVVEHNQZCVATF-STQMWFEESA-N 2 2 288.355 -0.040 20 0 CBADLP C[C@H](NC(=O)C[N@@H+]1C[C@H]2CCC[C@@]2(C[NH3+])C1)C(=O)N(C)C ZINC001549116690 923557374 /nfs/dbraw/zinc/55/73/74/923557374.db2.gz OARUSRYTRQSOJY-YWPYICTPSA-N 2 2 296.415 -0.360 20 0 CBADLP C[C@H](NC(=O)C[N@H+]1C[C@H]2CCC[C@@]2(C[NH3+])C1)C(=O)N(C)C ZINC001549116690 923557383 /nfs/dbraw/zinc/55/73/83/923557383.db2.gz OARUSRYTRQSOJY-YWPYICTPSA-N 2 2 296.415 -0.360 20 0 CBADLP O=C(N[C@@H]1C[C@H]([NH+]2CCOCC2)C12CCC2)C1(O)C[NH2+]C1 ZINC001549299231 923586450 /nfs/dbraw/zinc/58/64/50/923586450.db2.gz XHVDAHOQMIPKNL-NEPJUHHUSA-N 2 2 295.383 -0.920 20 0 CBADLP O=C(N[C@H]1C[C@H]([NH+]2CCOCC2)C12CCC2)C1(O)C[NH2+]C1 ZINC001549299233 923588641 /nfs/dbraw/zinc/58/86/41/923588641.db2.gz XHVDAHOQMIPKNL-RYUDHWBXSA-N 2 2 295.383 -0.920 20 0 CBADLP Cn1c[nH+]cc1CN1C[C@@H](n2ccnn2)[C@H]([NH+](C)C)C1 ZINC001549604096 923613576 /nfs/dbraw/zinc/61/35/76/923613576.db2.gz DVAOOAFARDLXKO-CHWSQXEVSA-N 2 2 275.360 -0.001 20 0 CBADLP C[NH+](C)[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1n1ccnn1 ZINC001549671769 923625896 /nfs/dbraw/zinc/62/58/96/923625896.db2.gz OMSCBEKWOVPKKG-WDEREUQCSA-N 2 2 289.343 -0.443 20 0 CBADLP C[NH+](C)[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1n1ccnn1 ZINC001549672547 923626633 /nfs/dbraw/zinc/62/66/33/923626633.db2.gz QYZGXGODYNHPMZ-RYUDHWBXSA-N 2 2 289.343 -0.512 20 0 CBADLP CCOc1nc(N2CC[C@@H](N3CC[NH2+]CC3)C2)cc(N)[nH+]1 ZINC001549910535 923648325 /nfs/dbraw/zinc/64/83/25/923648325.db2.gz LWPIREYOHYYSRI-LLVKDONJSA-N 2 2 292.387 -0.059 20 0 CBADLP COc1c(N)[nH+]cnc1N1CC[C@H](N2CC[NH+](C)CC2)C1 ZINC001549906225 923649156 /nfs/dbraw/zinc/64/91/56/923649156.db2.gz PHQXFWDAOXEWJY-NSHDSACASA-N 2 2 292.387 -0.107 20 0 CBADLP Cn1c[nH+]cc1[C@@H]1CCCCN1C(=O)CNC(=O)C[NH3+] ZINC001550235757 923713529 /nfs/dbraw/zinc/71/35/29/923713529.db2.gz HBIDWLBZYIZUQJ-JTQLQIEISA-N 2 2 279.344 -0.451 20 0 CBADLP CN(CCn1cc[nH+]c1)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC001550737935 923745023 /nfs/dbraw/zinc/74/50/23/923745023.db2.gz XBDXHUVUEMJHLO-GFCCVEGCSA-N 2 2 281.360 -0.097 20 0 CBADLP CNC(=O)[C@@]12C[N@H+](C[C@H]3C[NH2+]CCO3)C[C@H]1COCC2 ZINC001551407116 923774859 /nfs/dbraw/zinc/77/48/59/923774859.db2.gz FUSCAYAOCCPUHJ-SCRDCRAPSA-N 2 2 283.372 -0.941 20 0 CBADLP CNC(=O)[C@@]12C[N@@H+](C[C@H]3C[NH2+]CCO3)C[C@H]1COCC2 ZINC001551407116 923774868 /nfs/dbraw/zinc/77/48/68/923774868.db2.gz FUSCAYAOCCPUHJ-SCRDCRAPSA-N 2 2 283.372 -0.941 20 0 CBADLP [NH3+][C@@H]1CC12CC(NC(=O)N1CC[NH+]([C@H]3CCOC3)CC1)C2 ZINC001551573483 923805492 /nfs/dbraw/zinc/80/54/92/923805492.db2.gz FHMAGCKWLWDOLE-SBEAFCBVSA-N 2 2 294.399 -0.018 20 0 CBADLP O=C(N1CC[NH+]([C@@H]2CCOC2)CC1)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552218811 923870868 /nfs/dbraw/zinc/87/08/68/923870868.db2.gz XTIXASVDMQPCKM-NFAWXSAZSA-N 2 2 295.383 -0.845 20 0 CBADLP O=C(N1CC[NH+]([C@@H]2CCOC2)CC1)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552218810 923871230 /nfs/dbraw/zinc/87/12/30/923871230.db2.gz XTIXASVDMQPCKM-GZBFAFLISA-N 2 2 295.383 -0.845 20 0 CBADLP C[C@H]1[NH2+]CC[C@H]1NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC001552244733 923874802 /nfs/dbraw/zinc/87/48/02/923874802.db2.gz BLUPOKUAMVJQDK-FVCCEPFGSA-N 2 2 282.388 -0.101 20 0 CBADLP C[C@H]1[NH2+]CC[C@H]1NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC001552244733 923874815 /nfs/dbraw/zinc/87/48/15/923874815.db2.gz BLUPOKUAMVJQDK-FVCCEPFGSA-N 2 2 282.388 -0.101 20 0 CBADLP C[C@@H]1C[NH2+]C[C@H]1NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC001552337416 923886413 /nfs/dbraw/zinc/88/64/13/923886413.db2.gz GJDGATQKCPPNBU-FVCCEPFGSA-N 2 2 282.388 -0.243 20 0 CBADLP C[C@@H]1C[NH2+]C[C@H]1NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC001552337416 923886415 /nfs/dbraw/zinc/88/64/15/923886415.db2.gz GJDGATQKCPPNBU-FVCCEPFGSA-N 2 2 282.388 -0.243 20 0 CBADLP [NH3+]C1CC(NC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC001552344667 923888371 /nfs/dbraw/zinc/88/83/71/923888371.db2.gz ILXQXYDXIOWSIN-CAODYFQJSA-N 2 2 268.361 -0.362 20 0 CBADLP [NH3+]C1CC(NC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC001552344667 923888379 /nfs/dbraw/zinc/88/83/79/923888379.db2.gz ILXQXYDXIOWSIN-CAODYFQJSA-N 2 2 268.361 -0.362 20 0 CBADLP CCO[C@H]1C[N@H+](Cc2cnn3c2C[NH2+]CC3)C[C@@H]1C[NH3+] ZINC001552687088 923916201 /nfs/dbraw/zinc/91/62/01/923916201.db2.gz NOFLMTSGKWKPMH-FZMZJTMJSA-N 3 2 279.388 -0.218 20 0 CBADLP CCO[C@H]1C[N@@H+](Cc2cnn3c2C[NH2+]CC3)C[C@@H]1C[NH3+] ZINC001552687088 923916214 /nfs/dbraw/zinc/91/62/14/923916214.db2.gz NOFLMTSGKWKPMH-FZMZJTMJSA-N 3 2 279.388 -0.218 20 0 CBADLP [NH3+][C@@H]1C[C@H]2C[N@H+](C[C@@H]3CCCC[NH2+]C3)CCN2C1=O ZINC001553304952 923946181 /nfs/dbraw/zinc/94/61/81/923946181.db2.gz QHHBLJPCFDTVBN-FRRDWIJNSA-N 3 2 266.389 -0.380 20 0 CBADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](C[C@@H]3CCCC[NH2+]C3)CCN2C1=O ZINC001553304952 923946194 /nfs/dbraw/zinc/94/61/94/923946194.db2.gz QHHBLJPCFDTVBN-FRRDWIJNSA-N 3 2 266.389 -0.380 20 0 CBADLP [NH3+][C@@H]1CCN(C(=O)[C@@H]2CC[C@@H](C[NH+]3CCOCC3)O2)C1 ZINC001553347334 923952251 /nfs/dbraw/zinc/95/22/51/923952251.db2.gz DTYIFKYJAMMJEM-AGIUHOORSA-N 2 2 283.372 -0.574 20 0 CBADLP O=C([C@@H]1CC[C@@H](C[NH+]2CCOCC2)O1)N1CCC[NH2+]CC1 ZINC001553348311 923954663 /nfs/dbraw/zinc/95/46/63/923954663.db2.gz IQLPVWGFAIWADB-KBPBESRZSA-N 2 2 297.399 -0.312 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1C[C@H]2OCC[C@H]2[NH2+]1 ZINC001553409332 923985181 /nfs/dbraw/zinc/98/51/81/923985181.db2.gz NRZQXGROAFDDRT-WISYIIOYSA-N 2 2 264.329 -0.093 20 0 CBADLP CN(CCn1cc[nH+]c1)C(=O)[C@@H]1C[C@H]2OCC[C@H]2[NH2+]1 ZINC001553430176 923997930 /nfs/dbraw/zinc/99/79/30/923997930.db2.gz UGYNDBHVPACODR-GRYCIOLGSA-N 2 2 264.329 -0.139 20 0 CBADLP CN(CCn1cc[nH+]c1)C(=O)[C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1 ZINC001553430186 923998915 /nfs/dbraw/zinc/99/89/15/923998915.db2.gz UGYNDBHVPACODR-WOPDTQHZSA-N 2 2 264.329 -0.139 20 0 CBADLP C[N@@H+]1CCO[C@H](CNC(=O)N2C[C@@H]([NH3+])C3(CCC3)C2)C1 ZINC001553442027 924000417 /nfs/dbraw/zinc/00/04/17/924000417.db2.gz CXJNSKMYZCHHDM-VXGBXAGGSA-N 2 2 282.388 -0.160 20 0 CBADLP C[N@H+]1CCO[C@H](CNC(=O)N2C[C@@H]([NH3+])C3(CCC3)C2)C1 ZINC001553442027 924000430 /nfs/dbraw/zinc/00/04/30/924000430.db2.gz CXJNSKMYZCHHDM-VXGBXAGGSA-N 2 2 282.388 -0.160 20 0 CBADLP C[N@@H+]1CCO[C@H](CNC(=O)N2C[C@H]([NH3+])C3(CCC3)C2)C1 ZINC001553442020 924002622 /nfs/dbraw/zinc/00/26/22/924002622.db2.gz CXJNSKMYZCHHDM-NEPJUHHUSA-N 2 2 282.388 -0.160 20 0 CBADLP C[N@H+]1CCO[C@H](CNC(=O)N2C[C@H]([NH3+])C3(CCC3)C2)C1 ZINC001553442020 924002633 /nfs/dbraw/zinc/00/26/33/924002633.db2.gz CXJNSKMYZCHHDM-NEPJUHHUSA-N 2 2 282.388 -0.160 20 0 CBADLP C[N@@H+]1CCO[C@@H](CNC(=O)N2C[C@H]([NH3+])C3(CCC3)C2)C1 ZINC001553442025 924002838 /nfs/dbraw/zinc/00/28/38/924002838.db2.gz CXJNSKMYZCHHDM-RYUDHWBXSA-N 2 2 282.388 -0.160 20 0 CBADLP C[N@H+]1CCO[C@@H](CNC(=O)N2C[C@H]([NH3+])C3(CCC3)C2)C1 ZINC001553442025 924002847 /nfs/dbraw/zinc/00/28/47/924002847.db2.gz CXJNSKMYZCHHDM-RYUDHWBXSA-N 2 2 282.388 -0.160 20 0 CBADLP C[N@@H+]1CCO[C@H](CNC(=O)N2CC[C@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC001553447874 924003316 /nfs/dbraw/zinc/00/33/16/924003316.db2.gz WKPFOYSVEPODDD-MGPQQGTHSA-N 2 2 296.415 -0.042 20 0 CBADLP C[N@H+]1CCO[C@H](CNC(=O)N2CC[C@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC001553447874 924003328 /nfs/dbraw/zinc/00/33/28/924003328.db2.gz WKPFOYSVEPODDD-MGPQQGTHSA-N 2 2 296.415 -0.042 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)C(=O)NCCn1cc[nH+]c1 ZINC000273031069 230199877 /nfs/dbraw/zinc/19/98/77/230199877.db2.gz DNVOXNCUQZLCFK-GFCCVEGCSA-N 2 2 266.345 -0.032 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000082991995 178333421 /nfs/dbraw/zinc/33/34/21/178333421.db2.gz GGRJZKOWMCNXQF-CQSZACIVSA-N 2 2 297.399 -0.360 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000082991995 178333423 /nfs/dbraw/zinc/33/34/23/178333423.db2.gz GGRJZKOWMCNXQF-CQSZACIVSA-N 2 2 297.399 -0.360 20 0 CBADLP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000305764599 282133118 /nfs/dbraw/zinc/13/31/18/282133118.db2.gz GMRXLFCPWHBSGS-GRYCIOLGSA-N 2 2 278.418 -0.146 20 0 CBADLP C[NH+](C)C[C@](C)(O)CNC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000430257883 282143138 /nfs/dbraw/zinc/14/31/38/282143138.db2.gz LNZHIYYZCTZMLX-SMDDNHRTSA-N 2 2 295.387 -0.190 20 0 CBADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@H]2CCCC(=O)N2)CC1 ZINC000337868621 214293397 /nfs/dbraw/zinc/29/33/97/214293397.db2.gz SLPTUMGQKGCKLN-CYBMUJFWSA-N 2 2 296.415 -0.203 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)C(=O)NCc1[nH]cc[nH+]1 ZINC000273132916 192053084 /nfs/dbraw/zinc/05/30/84/192053084.db2.gz VGGMTTISQDUQII-SNVBAGLBSA-N 2 2 252.318 -0.006 20 0 CBADLP C[N@@H+]1CC[C@](O)(CNC(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493415277 529809141 /nfs/dbraw/zinc/80/91/41/529809141.db2.gz COBVLBIYHJDBRF-JDGPPOGSSA-N 2 2 250.302 -0.394 20 0 CBADLP C[N@H+]1CC[C@](O)(CNC(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493415277 529809142 /nfs/dbraw/zinc/80/91/42/529809142.db2.gz COBVLBIYHJDBRF-JDGPPOGSSA-N 2 2 250.302 -0.394 20 0 CBADLP Cc1cc(NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)cc[nH+]1 ZINC000351559676 219126286 /nfs/dbraw/zinc/12/62/86/219126286.db2.gz VECCCZHUOBDYQB-LLVKDONJSA-N 2 2 262.313 -0.381 20 0 CBADLP C[N@@H+]1CCO[C@@H](CNC(=O)N2CC[NH2+]C[C@](C)(F)C2)C1 ZINC000333518324 290077065 /nfs/dbraw/zinc/07/70/65/290077065.db2.gz GJBSHGYOGWRDFV-AAEUAGOBSA-N 2 2 288.367 -0.340 20 0 CBADLP C[N@H+]1CCO[C@@H](CNC(=O)N2CC[NH2+]C[C@](C)(F)C2)C1 ZINC000333518324 290077070 /nfs/dbraw/zinc/07/70/70/290077070.db2.gz GJBSHGYOGWRDFV-AAEUAGOBSA-N 2 2 288.367 -0.340 20 0 CBADLP C[NH2+]CC(=O)N1CC[N@H+](C[C@@H]2CN(C)CCO2)C[C@H]1C ZINC000376586099 529956192 /nfs/dbraw/zinc/95/61/92/529956192.db2.gz JNZOUKLMFXKEQT-OLZOCXBDSA-N 2 2 284.404 -0.931 20 0 CBADLP C[NH2+]CC(=O)N1CC[N@@H+](C[C@@H]2CN(C)CCO2)C[C@H]1C ZINC000376586099 529956193 /nfs/dbraw/zinc/95/61/93/529956193.db2.gz JNZOUKLMFXKEQT-OLZOCXBDSA-N 2 2 284.404 -0.931 20 0 CBADLP CNC(=O)[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)C(C)C ZINC000351581722 219132888 /nfs/dbraw/zinc/13/28/88/219132888.db2.gz OLOOYCPGYRDTLD-NEPJUHHUSA-N 2 2 257.378 -0.198 20 0 CBADLP CNC(=O)[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)C(C)C ZINC000351581722 219132890 /nfs/dbraw/zinc/13/28/90/219132890.db2.gz OLOOYCPGYRDTLD-NEPJUHHUSA-N 2 2 257.378 -0.198 20 0 CBADLP COc1cc[nH+]c(N2CC[NH+]([C@H]3COC[C@H]3O)CC2)c1 ZINC000361289530 136474527 /nfs/dbraw/zinc/47/45/27/136474527.db2.gz POMIKRDJOBNPEP-QWHCGFSZSA-N 2 2 279.340 -0.028 20 0 CBADLP C[C@H]1CN(C(=O)[C@H]2CC[NH2+]C2)C[C@H]1[NH+]1CCOCC1 ZINC000446370220 290751014 /nfs/dbraw/zinc/75/10/14/290751014.db2.gz KLYGZHBWXUPKCB-RWMBFGLXSA-N 2 2 267.373 -0.225 20 0 CBADLP C[C@H]1CN(C(=O)[C@H]2CSC[NH2+]2)C[C@@H]1[NH+]1CCOCC1 ZINC000431017769 290753777 /nfs/dbraw/zinc/75/37/77/290753777.db2.gz RXMAFQJRQJIFFX-TUAOUCFPSA-N 2 2 285.413 -0.172 20 0 CBADLP C[N@H+](C[C@H](O)C[NH2+][C@@H](C(N)=O)C(C)(C)C)C1CC1 ZINC000351710314 219182257 /nfs/dbraw/zinc/18/22/57/219182257.db2.gz BWTDXQBXVUORBZ-MNOVXSKESA-N 2 2 257.378 -0.069 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH2+][C@@H](C(N)=O)C(C)(C)C)C1CC1 ZINC000351710314 219182258 /nfs/dbraw/zinc/18/22/58/219182258.db2.gz BWTDXQBXVUORBZ-MNOVXSKESA-N 2 2 257.378 -0.069 20 0 CBADLP COCC[N@H+](C)CCNC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000339244735 215037572 /nfs/dbraw/zinc/03/75/72/215037572.db2.gz CTKZIDJSYRRVJD-LBPRGKRZSA-N 2 2 273.377 -0.599 20 0 CBADLP COCC[N@@H+](C)CCNC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000339244735 215037573 /nfs/dbraw/zinc/03/75/73/215037573.db2.gz CTKZIDJSYRRVJD-LBPRGKRZSA-N 2 2 273.377 -0.599 20 0 CBADLP Cc1[nH]c(C(=O)NCC2(O)CC[NH+](C)CC2)c[nH+]1 ZINC000339288003 215066171 /nfs/dbraw/zinc/06/61/71/215066171.db2.gz SJAUBJNSMYEZPB-UHFFFAOYSA-N 2 2 252.318 -0.095 20 0 CBADLP C[N@@H+]1CCCN(C(=O)NCC[NH+]2CCOCC2)CC1 ZINC000339328656 215100147 /nfs/dbraw/zinc/10/01/47/215100147.db2.gz JEKZYJRSZZOTDB-UHFFFAOYSA-N 2 2 270.377 -0.334 20 0 CBADLP C[N@H+]1CCCN(C(=O)NCC[NH+]2CCOCC2)CC1 ZINC000339328656 215100148 /nfs/dbraw/zinc/10/01/48/215100148.db2.gz JEKZYJRSZZOTDB-UHFFFAOYSA-N 2 2 270.377 -0.334 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000091299613 180125949 /nfs/dbraw/zinc/12/59/49/180125949.db2.gz RFFFWVXLVRYFEJ-GHMZBOCLSA-N 2 2 252.318 -0.234 20 0 CBADLP COCC[NH+]1CCN([C@H](C)C[NH+]2CCOCC2)CC1 ZINC000091508106 180175835 /nfs/dbraw/zinc/17/58/35/180175835.db2.gz WDMRXMFXFKPNQF-CQSZACIVSA-N 2 2 271.405 -0.029 20 0 CBADLP CSCC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000091669121 180224352 /nfs/dbraw/zinc/22/43/52/180224352.db2.gz ZSADYVGROYMPEP-ZJUUUORDSA-N 2 2 261.391 -0.486 20 0 CBADLP CSCC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000091669121 180224354 /nfs/dbraw/zinc/22/43/54/180224354.db2.gz ZSADYVGROYMPEP-ZJUUUORDSA-N 2 2 261.391 -0.486 20 0 CBADLP CC[NH+]1CCC(NC(=O)C(=O)NCCn2cc[nH+]c2)CC1 ZINC000339709765 215307775 /nfs/dbraw/zinc/30/77/75/215307775.db2.gz FOZWYYUHOADKIR-UHFFFAOYSA-N 2 2 293.371 -0.400 20 0 CBADLP C[C@H]1[C@@H](NC(=O)C(=O)NCCn2cc[nH+]c2)CCC[N@@H+]1C ZINC000339710028 215307970 /nfs/dbraw/zinc/30/79/70/215307970.db2.gz IIBQYTCLHRTXDX-RYUDHWBXSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@H]1[C@@H](NC(=O)C(=O)NCCn2cc[nH+]c2)CCC[N@H+]1C ZINC000339710028 215307971 /nfs/dbraw/zinc/30/79/71/215307971.db2.gz IIBQYTCLHRTXDX-RYUDHWBXSA-N 2 2 293.371 -0.402 20 0 CBADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@@H]1CCCOC1 ZINC000352185362 219349585 /nfs/dbraw/zinc/34/95/85/219349585.db2.gz BWVNCDYVMQTRDS-GFCCVEGCSA-N 2 2 255.362 -0.129 20 0 CBADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)[C@@H]1CCCOC1 ZINC000352185362 219349589 /nfs/dbraw/zinc/34/95/89/219349589.db2.gz BWVNCDYVMQTRDS-GFCCVEGCSA-N 2 2 255.362 -0.129 20 0 CBADLP COCC[NH2+]CC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000092495333 180396931 /nfs/dbraw/zinc/39/69/31/180396931.db2.gz RAPLKXXRCIIENJ-NSHDSACASA-N 2 2 259.350 -0.941 20 0 CBADLP COCC[NH2+]CC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000092495334 180397034 /nfs/dbraw/zinc/39/70/34/180397034.db2.gz RAPLKXXRCIIENJ-LLVKDONJSA-N 2 2 259.350 -0.941 20 0 CBADLP CCCNC(=O)NC(=O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107575288 186179928 /nfs/dbraw/zinc/17/99/28/186179928.db2.gz KANAALIECDICTC-AOOOYVTPSA-N 2 2 254.334 -0.627 20 0 CBADLP CCCNC(=O)NC(=O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107575288 186179929 /nfs/dbraw/zinc/17/99/29/186179929.db2.gz KANAALIECDICTC-AOOOYVTPSA-N 2 2 254.334 -0.627 20 0 CBADLP O=C(C[NH+]1CCC(n2cc[nH+]c2)CC1)N1CCNC(=O)C1 ZINC000109795868 186271364 /nfs/dbraw/zinc/27/13/64/186271364.db2.gz NAOSBSMUOJIAJW-UHFFFAOYSA-N 2 2 291.355 -0.522 20 0 CBADLP CCC[NH+]1CCC([N@H+](C)CC(=O)NC(N)=O)CC1 ZINC000109788143 186271570 /nfs/dbraw/zinc/27/15/70/186271570.db2.gz GMAISVGEBFFEGT-UHFFFAOYSA-N 2 2 256.350 -0.013 20 0 CBADLP CCC[NH+]1CCC([N@@H+](C)CC(=O)NC(N)=O)CC1 ZINC000109788143 186271572 /nfs/dbraw/zinc/27/15/72/186271572.db2.gz GMAISVGEBFFEGT-UHFFFAOYSA-N 2 2 256.350 -0.013 20 0 CBADLP C[N@H+](CC(=O)NC[C@@H]1CCCO1)C1CC[NH2+]CC1 ZINC000036300761 351390458 /nfs/dbraw/zinc/39/04/58/351390458.db2.gz WPQDYXZOUIVTTG-LBPRGKRZSA-N 2 2 255.362 -0.035 20 0 CBADLP C[N@@H+](CC(=O)NC[C@@H]1CCCO1)C1CC[NH2+]CC1 ZINC000036300761 351390462 /nfs/dbraw/zinc/39/04/62/351390462.db2.gz WPQDYXZOUIVTTG-LBPRGKRZSA-N 2 2 255.362 -0.035 20 0 CBADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(CC[NH3+])CC1 ZINC000037039645 351396961 /nfs/dbraw/zinc/39/69/61/351396961.db2.gz FGINNLIBCINILH-LBPRGKRZSA-N 2 2 254.378 -0.426 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@H](O)C2)CC1 ZINC000043305390 351441493 /nfs/dbraw/zinc/44/14/93/351441493.db2.gz QYXUVEGGOACGHI-STQMWFEESA-N 2 2 269.389 -0.004 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@H](O)C2)CC1 ZINC000043305390 351441497 /nfs/dbraw/zinc/44/14/97/351441497.db2.gz QYXUVEGGOACGHI-STQMWFEESA-N 2 2 269.389 -0.004 20 0 CBADLP CN(C)C(=O)C[N@@H+]1CCCN(C(=O)C2([NH3+])CCCC2)CC1 ZINC000037819307 351407980 /nfs/dbraw/zinc/40/79/80/351407980.db2.gz PEZWDGAQPAWEJT-UHFFFAOYSA-N 2 2 296.415 -0.120 20 0 CBADLP CN(C)C(=O)C[N@H+]1CCCN(C(=O)C2([NH3+])CCCC2)CC1 ZINC000037819307 351407982 /nfs/dbraw/zinc/40/79/82/351407982.db2.gz PEZWDGAQPAWEJT-UHFFFAOYSA-N 2 2 296.415 -0.120 20 0 CBADLP NC(=O)NC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037918035 351411355 /nfs/dbraw/zinc/41/13/55/351411355.db2.gz GHAZCNIBORHCBJ-UWVGGRQHSA-N 2 2 254.334 -0.355 20 0 CBADLP NC(=O)NC(=O)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037918035 351411360 /nfs/dbraw/zinc/41/13/60/351411360.db2.gz GHAZCNIBORHCBJ-UWVGGRQHSA-N 2 2 254.334 -0.355 20 0 CBADLP CS(=O)(=O)CCC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000038047961 351412323 /nfs/dbraw/zinc/41/23/23/351412323.db2.gz GVPJTSRKFFCEOA-LLVKDONJSA-N 2 2 264.391 -0.533 20 0 CBADLP [NH3+]CCNC(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000040605543 351416670 /nfs/dbraw/zinc/41/66/70/351416670.db2.gz FQCZGTAFJNOBJV-UHFFFAOYSA-N 2 2 263.345 -0.722 20 0 CBADLP C[C@@H](C(=O)NCCCC[NH+]1CCOCC1)[NH+]1CCOCC1 ZINC000041573151 351423685 /nfs/dbraw/zinc/42/36/85/351423685.db2.gz MGBZLDIDBMQAMX-AWEZNQCLSA-N 2 2 299.415 -0.064 20 0 CBADLP CCCCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000050247898 351500832 /nfs/dbraw/zinc/50/08/32/351500832.db2.gz AUELSPOGRNEYSD-JTQLQIEISA-N 2 2 256.350 -0.107 20 0 CBADLP CCCCNC(=O)NC(=O)C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000050247898 351500835 /nfs/dbraw/zinc/50/08/35/351500835.db2.gz AUELSPOGRNEYSD-JTQLQIEISA-N 2 2 256.350 -0.107 20 0 CBADLP CC[NH+]1CCN(CCNC(=O)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000339812260 215347876 /nfs/dbraw/zinc/34/78/76/215347876.db2.gz CUWSNHHNPQNPDE-CQSZACIVSA-N 2 2 298.431 -0.539 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@H](O)CN1CCOCC1 ZINC000049235173 351488875 /nfs/dbraw/zinc/48/88/75/351488875.db2.gz UZPICKRURJHBLA-OLZOCXBDSA-N 2 2 268.361 -0.446 20 0 CBADLP CCNC(=O)C[N@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000054226090 351533750 /nfs/dbraw/zinc/53/37/50/351533750.db2.gz POORZTJRVSRIDX-UHFFFAOYSA-N 2 2 296.415 -0.203 20 0 CBADLP CCNC(=O)C[N@@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000054226090 351533754 /nfs/dbraw/zinc/53/37/54/351533754.db2.gz POORZTJRVSRIDX-UHFFFAOYSA-N 2 2 296.415 -0.203 20 0 CBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Cn1cncn1 ZINC000058970537 351561890 /nfs/dbraw/zinc/56/18/90/351561890.db2.gz PHRUGCVDTJDMJQ-UHFFFAOYSA-N 2 2 294.403 -0.238 20 0 CBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Cn1cncn1 ZINC000058970537 351561891 /nfs/dbraw/zinc/56/18/91/351561891.db2.gz PHRUGCVDTJDMJQ-UHFFFAOYSA-N 2 2 294.403 -0.238 20 0 CBADLP CN(C)c1[nH+]cc(C[NH2+]CCNS(C)(=O)=O)n1C ZINC000070142913 351635823 /nfs/dbraw/zinc/63/58/23/351635823.db2.gz CTMKYZXHDXPOPA-UHFFFAOYSA-N 2 2 275.378 -0.875 20 0 CBADLP CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000070174246 351635906 /nfs/dbraw/zinc/63/59/06/351635906.db2.gz IHJXPMVQDQHCLY-NXEZZACHSA-N 2 2 256.350 -0.109 20 0 CBADLP CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000070174246 351635909 /nfs/dbraw/zinc/63/59/09/351635909.db2.gz IHJXPMVQDQHCLY-NXEZZACHSA-N 2 2 256.350 -0.109 20 0 CBADLP CN1CC[N@H+](C)[C@H](CNC(=O)CC[NH2+]C2CC2)C1 ZINC000068807528 351622133 /nfs/dbraw/zinc/62/21/33/351622133.db2.gz WQDYSXUFEVUGMA-GFCCVEGCSA-N 2 2 254.378 -0.510 20 0 CBADLP CN1CC[N@@H+](C)[C@H](CNC(=O)CC[NH2+]C2CC2)C1 ZINC000068807528 351622138 /nfs/dbraw/zinc/62/21/38/351622138.db2.gz WQDYSXUFEVUGMA-GFCCVEGCSA-N 2 2 254.378 -0.510 20 0 CBADLP CN1CC[N@H+](C)[C@H](CNC(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000068807913 351623986 /nfs/dbraw/zinc/62/39/86/351623986.db2.gz FAOXJPHZWKMHLV-NWDGAFQWSA-N 2 2 254.378 -0.510 20 0 CBADLP CN1CC[N@@H+](C)[C@H](CNC(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000068807913 351623990 /nfs/dbraw/zinc/62/39/90/351623990.db2.gz FAOXJPHZWKMHLV-NWDGAFQWSA-N 2 2 254.378 -0.510 20 0 CBADLP Cn1cc(CC[NH+]2CCN(C(=O)C[NH+](C)C)CC2)cn1 ZINC000077654749 351682979 /nfs/dbraw/zinc/68/29/79/351682979.db2.gz YQOVAYZTJPOCAN-UHFFFAOYSA-N 2 2 279.388 -0.332 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)C[C@@H](C)C(=O)NC)CC1 ZINC000081524992 351707502 /nfs/dbraw/zinc/70/75/02/351707502.db2.gz VYFFSUOGOCNBIX-CHWSQXEVSA-N 2 2 298.431 -0.147 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)C(=O)NC)CC1 ZINC000081524992 351707506 /nfs/dbraw/zinc/70/75/06/351707506.db2.gz VYFFSUOGOCNBIX-CHWSQXEVSA-N 2 2 298.431 -0.147 20 0 CBADLP COCC[N@@H+]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000081292286 351703817 /nfs/dbraw/zinc/70/38/17/351703817.db2.gz DXBKRBGHRZAREI-ZDUSSCGKSA-N 2 2 285.388 -0.502 20 0 CBADLP COCC[N@H+]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000081292286 351703819 /nfs/dbraw/zinc/70/38/19/351703819.db2.gz DXBKRBGHRZAREI-ZDUSSCGKSA-N 2 2 285.388 -0.502 20 0 CBADLP COCC[NH+]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000081292286 351703824 /nfs/dbraw/zinc/70/38/24/351703824.db2.gz DXBKRBGHRZAREI-ZDUSSCGKSA-N 2 2 285.388 -0.502 20 0 CBADLP COCC[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000081292286 351703827 /nfs/dbraw/zinc/70/38/27/351703827.db2.gz DXBKRBGHRZAREI-ZDUSSCGKSA-N 2 2 285.388 -0.502 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000081257320 351703902 /nfs/dbraw/zinc/70/39/02/351703902.db2.gz CPEJQGFWHMUAFR-QWRGUYRKSA-N 2 2 252.318 -0.282 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000081257320 351703905 /nfs/dbraw/zinc/70/39/05/351703905.db2.gz CPEJQGFWHMUAFR-QWRGUYRKSA-N 2 2 252.318 -0.282 20 0 CBADLP C[C@@H](CC[NH+]1CCOCC1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000081395064 351705533 /nfs/dbraw/zinc/70/55/33/351705533.db2.gz UDXPISFJIVIMCF-QWHCGFSZSA-N 2 2 285.388 -0.456 20 0 CBADLP C[C@@H](CC[NH+]1CCOCC1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000081395064 351705534 /nfs/dbraw/zinc/70/55/34/351705534.db2.gz UDXPISFJIVIMCF-QWHCGFSZSA-N 2 2 285.388 -0.456 20 0 CBADLP CCNS(=O)(=O)[C@H]1CC[N@H+](CCn2cc[nH+]c2)C1 ZINC000092842383 351752789 /nfs/dbraw/zinc/75/27/89/351752789.db2.gz QICBHXSMXLDHJO-NSHDSACASA-N 2 2 272.374 -0.103 20 0 CBADLP CCNS(=O)(=O)[C@H]1CC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000092842383 351752793 /nfs/dbraw/zinc/75/27/93/351752793.db2.gz QICBHXSMXLDHJO-NSHDSACASA-N 2 2 272.374 -0.103 20 0 CBADLP CCC[N@H+](C)C[C@H]1CC[NH+](CC(=O)NC(N)=O)C1 ZINC000081570409 351708587 /nfs/dbraw/zinc/70/85/87/351708587.db2.gz RVLXQIRAOUHFQR-SNVBAGLBSA-N 2 2 256.350 -0.155 20 0 CBADLP CCC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)NC(N)=O)C1 ZINC000081570409 351708598 /nfs/dbraw/zinc/70/85/98/351708598.db2.gz RVLXQIRAOUHFQR-SNVBAGLBSA-N 2 2 256.350 -0.155 20 0 CBADLP CCC[NH+](C)C[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC000081570409 351708602 /nfs/dbraw/zinc/70/86/02/351708602.db2.gz RVLXQIRAOUHFQR-SNVBAGLBSA-N 2 2 256.350 -0.155 20 0 CBADLP CCC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC000081570409 351708603 /nfs/dbraw/zinc/70/86/03/351708603.db2.gz RVLXQIRAOUHFQR-SNVBAGLBSA-N 2 2 256.350 -0.155 20 0 CBADLP C[C@@H](NC(=O)CN1CC[NH+](C)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000111611288 351804137 /nfs/dbraw/zinc/80/41/37/351804137.db2.gz ONHACSITGTUBNB-KGLIPLIRSA-N 2 2 298.431 -0.541 20 0 CBADLP COC(=O)C1CCN(C(=O)C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000107575326 351795304 /nfs/dbraw/zinc/79/53/04/351795304.db2.gz CRELVSDENMGCAW-CHWSQXEVSA-N 2 2 295.383 -0.451 20 0 CBADLP O=c1n2ccccc2nn1CC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000107580260 351796137 /nfs/dbraw/zinc/79/61/37/351796137.db2.gz HCKSXFLASVNQRJ-VXGBXAGGSA-N 2 2 273.340 -0.353 20 0 CBADLP O=c1n2ccccc2nn1CC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000107580265 351796288 /nfs/dbraw/zinc/79/62/88/351796288.db2.gz HCKSXFLASVNQRJ-RYUDHWBXSA-N 2 2 273.340 -0.353 20 0 CBADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H]1CCC[C@@H]1O ZINC000093208929 351758825 /nfs/dbraw/zinc/75/88/25/351758825.db2.gz JMOLNNUVBMMIDP-STQMWFEESA-N 2 2 269.389 -0.147 20 0 CBADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H]1CCC[C@@H]1O ZINC000093208929 351758829 /nfs/dbraw/zinc/75/88/29/351758829.db2.gz JMOLNNUVBMMIDP-STQMWFEESA-N 2 2 269.389 -0.147 20 0 CBADLP C[C@@H](NC(=O)CN1CC[NH+](C)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000111611282 351803296 /nfs/dbraw/zinc/80/32/96/351803296.db2.gz ONHACSITGTUBNB-ZIAGYGMSSA-N 2 2 298.431 -0.541 20 0 CBADLP C[N@H+](CCCO)C1CC[NH+](CCN2C(=O)CCC2=O)CC1 ZINC000115546807 351820807 /nfs/dbraw/zinc/82/08/07/351820807.db2.gz GCFKUGIOEYZZQD-UHFFFAOYSA-N 2 2 297.399 -0.086 20 0 CBADLP C[N@@H+](CCCO)C1CC[NH+](CCN2C(=O)CCC2=O)CC1 ZINC000115546807 351820810 /nfs/dbraw/zinc/82/08/10/351820810.db2.gz GCFKUGIOEYZZQD-UHFFFAOYSA-N 2 2 297.399 -0.086 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)COC1CC[NH2+]CC1 ZINC000111795529 351806323 /nfs/dbraw/zinc/80/63/23/351806323.db2.gz MVGLFIHVIHIGCW-LBPRGKRZSA-N 2 2 285.388 -0.408 20 0 CBADLP C[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H](C(N)=O)C2)C1 ZINC000113512529 351814090 /nfs/dbraw/zinc/81/40/90/351814090.db2.gz OCZPZRMMAPWRMT-STQMWFEESA-N 2 2 296.415 -0.406 20 0 CBADLP C[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H](C(N)=O)C2)C1 ZINC000113512529 351814091 /nfs/dbraw/zinc/81/40/91/351814091.db2.gz OCZPZRMMAPWRMT-STQMWFEESA-N 2 2 296.415 -0.406 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000114076499 351815990 /nfs/dbraw/zinc/81/59/90/351815990.db2.gz AGWSNRBTVCBMSG-LBPRGKRZSA-N 2 2 255.362 -0.129 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000114076499 351815992 /nfs/dbraw/zinc/81/59/92/351815992.db2.gz AGWSNRBTVCBMSG-LBPRGKRZSA-N 2 2 255.362 -0.129 20 0 CBADLP C[N@@H+]1CCN(C(=O)CCn2cccn2)[C@@H](C[NH3+])C1 ZINC000122617929 351852511 /nfs/dbraw/zinc/85/25/11/351852511.db2.gz AHWVKDSEGXBUAB-NSHDSACASA-N 2 2 251.334 -0.626 20 0 CBADLP C[N@H+]1CCN(C(=O)CCn2cccn2)[C@@H](C[NH3+])C1 ZINC000122617929 351852516 /nfs/dbraw/zinc/85/25/16/351852516.db2.gz AHWVKDSEGXBUAB-NSHDSACASA-N 2 2 251.334 -0.626 20 0 CBADLP CN1CCN(C(=O)CCn2cc[nH+]c2)[C@H](C[NH3+])C1 ZINC000122614368 351852912 /nfs/dbraw/zinc/85/29/12/351852912.db2.gz SXRDWJDSFHFNLT-LLVKDONJSA-N 2 2 251.334 -0.626 20 0 CBADLP C[N@@H+]1CCN(C(=O)CNC(=O)c2ccccc2)[C@@H](C[NH3+])C1 ZINC000120777207 351843057 /nfs/dbraw/zinc/84/30/57/351843057.db2.gz CMEGDABFQGHFJB-ZDUSSCGKSA-N 2 2 290.367 -0.482 20 0 CBADLP C[N@H+]1CCN(C(=O)CNC(=O)c2ccccc2)[C@@H](C[NH3+])C1 ZINC000120777207 351843060 /nfs/dbraw/zinc/84/30/60/351843060.db2.gz CMEGDABFQGHFJB-ZDUSSCGKSA-N 2 2 290.367 -0.482 20 0 CBADLP CCC[N@H+](CC(=O)N(C)C)CC(=O)N1CC[NH+](C)CC1 ZINC000120786963 351843628 /nfs/dbraw/zinc/84/36/28/351843628.db2.gz PCUQHIFDOLUQJL-UHFFFAOYSA-N 2 2 284.404 -0.439 20 0 CBADLP CCC[N@@H+](CC(=O)N(C)C)CC(=O)N1CC[NH+](C)CC1 ZINC000120786963 351843630 /nfs/dbraw/zinc/84/36/30/351843630.db2.gz PCUQHIFDOLUQJL-UHFFFAOYSA-N 2 2 284.404 -0.439 20 0 CBADLP Cc1noc(C)c1CC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000120757875 351843749 /nfs/dbraw/zinc/84/37/49/351843749.db2.gz XQNYQHWCAYTLIB-NSHDSACASA-N 2 2 266.345 -0.065 20 0 CBADLP Cc1noc(C)c1CC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000120757875 351843753 /nfs/dbraw/zinc/84/37/53/351843753.db2.gz XQNYQHWCAYTLIB-NSHDSACASA-N 2 2 266.345 -0.065 20 0 CBADLP C[NH+]1CCN(C(=O)CN2CC[NH+](C3CC3)CC2)CC1 ZINC000120857488 351844527 /nfs/dbraw/zinc/84/45/27/351844527.db2.gz JCNHSCIBYILWEF-UHFFFAOYSA-N 2 2 266.389 -0.460 20 0 CBADLP CC(=O)NC[C@H]1CCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000120861183 351844556 /nfs/dbraw/zinc/84/45/56/351844556.db2.gz LDLRZIGFROTEMP-CQSZACIVSA-N 2 2 296.415 -0.392 20 0 CBADLP CC(=O)NC[C@H]1CCC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000120861183 351844560 /nfs/dbraw/zinc/84/45/60/351844560.db2.gz LDLRZIGFROTEMP-CQSZACIVSA-N 2 2 296.415 -0.392 20 0 CBADLP CC(=O)N[C@@H](C)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000122990393 187064751 /nfs/dbraw/zinc/06/47/51/187064751.db2.gz YDPHHMRSFABWDN-LBPRGKRZSA-N 2 2 298.431 -0.005 20 0 CBADLP CC(=O)N[C@@H](C)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000122990393 187064752 /nfs/dbraw/zinc/06/47/52/187064752.db2.gz YDPHHMRSFABWDN-LBPRGKRZSA-N 2 2 298.431 -0.005 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2C[C@@H](O)C2(C)C)CC1 ZINC000129552628 351871707 /nfs/dbraw/zinc/87/17/07/351871707.db2.gz DPFKVVJNSLPKRN-GHMZBOCLSA-N 2 2 255.362 -0.491 20 0 CBADLP C[C@@H](CNC(=O)C[C@H]1CC[NH2+]C1)[NH+]1CCOCC1 ZINC000130423112 351879087 /nfs/dbraw/zinc/87/90/87/351879087.db2.gz NCKCWMCWRWCSNV-NWDGAFQWSA-N 2 2 255.362 -0.177 20 0 CBADLP CS(=O)(=O)NCC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150750249 351931423 /nfs/dbraw/zinc/93/14/23/351931423.db2.gz YSPSOVYNDAWYAJ-GFCCVEGCSA-N 2 2 275.418 -0.047 20 0 CBADLP CS(=O)(=O)NCC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150750249 351931424 /nfs/dbraw/zinc/93/14/24/351931424.db2.gz YSPSOVYNDAWYAJ-GFCCVEGCSA-N 2 2 275.418 -0.047 20 0 CBADLP C[N@H+](CCNS(C)(=O)=O)C[C@@H]1CCC[NH+](C)C1 ZINC000152383580 351939442 /nfs/dbraw/zinc/93/94/42/351939442.db2.gz LZFPYZQXOUFMSD-LLVKDONJSA-N 2 2 263.407 -0.191 20 0 CBADLP C[N@@H+](CCNS(C)(=O)=O)C[C@@H]1CCC[NH+](C)C1 ZINC000152383580 351939445 /nfs/dbraw/zinc/93/94/45/351939445.db2.gz LZFPYZQXOUFMSD-LLVKDONJSA-N 2 2 263.407 -0.191 20 0 CBADLP C[NH+](CCNS(C)(=O)=O)C[C@@H]1CCC[N@H+](C)C1 ZINC000152383580 351939449 /nfs/dbraw/zinc/93/94/49/351939449.db2.gz LZFPYZQXOUFMSD-LLVKDONJSA-N 2 2 263.407 -0.191 20 0 CBADLP C[NH+](CCNS(C)(=O)=O)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152383580 351939453 /nfs/dbraw/zinc/93/94/53/351939453.db2.gz LZFPYZQXOUFMSD-LLVKDONJSA-N 2 2 263.407 -0.191 20 0 CBADLP CC[N@H+](CC(=O)NC[C@](C)(O)C[NH+]1CCOCC1)C1CC1 ZINC000133031422 351897454 /nfs/dbraw/zinc/89/74/54/351897454.db2.gz ZBUKSUXBEOODCN-HNNXBMFYSA-N 2 2 299.415 -0.330 20 0 CBADLP CC[N@@H+](CC(=O)NC[C@](C)(O)C[NH+]1CCOCC1)C1CC1 ZINC000133031422 351897459 /nfs/dbraw/zinc/89/74/59/351897459.db2.gz ZBUKSUXBEOODCN-HNNXBMFYSA-N 2 2 299.415 -0.330 20 0 CBADLP O[C@@H]1CCC[NH+](CC2(C[N@H+]3CCC[C@H](O)C3)COC2)C1 ZINC000157341402 351954778 /nfs/dbraw/zinc/95/47/78/351954778.db2.gz CHCCGFJBGNHXKM-OKILXGFUSA-N 2 2 284.400 -0.084 20 0 CBADLP O[C@@H]1CCC[NH+](CC2(C[N@@H+]3CCC[C@H](O)C3)COC2)C1 ZINC000157341402 351954780 /nfs/dbraw/zinc/95/47/80/351954780.db2.gz CHCCGFJBGNHXKM-OKILXGFUSA-N 2 2 284.400 -0.084 20 0 CBADLP O[C@@H]1CCC[N@@H+](CC2(C[NH+]3CCC[C@H](O)C3)COC2)C1 ZINC000157341402 351954782 /nfs/dbraw/zinc/95/47/82/351954782.db2.gz CHCCGFJBGNHXKM-OKILXGFUSA-N 2 2 284.400 -0.084 20 0 CBADLP O[C@@H]1CCC[N@H+](CC2(C[NH+]3CCC[C@H](O)C3)COC2)C1 ZINC000157341402 351954783 /nfs/dbraw/zinc/95/47/83/351954783.db2.gz CHCCGFJBGNHXKM-OKILXGFUSA-N 2 2 284.400 -0.084 20 0 CBADLP C[C@@H](O)[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000162771295 351979718 /nfs/dbraw/zinc/97/97/18/351979718.db2.gz WLITWENNVLRSEY-VXGBXAGGSA-N 2 2 255.362 -0.537 20 0 CBADLP C[C@@H](O)[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000162771295 351979721 /nfs/dbraw/zinc/97/97/21/351979721.db2.gz WLITWENNVLRSEY-VXGBXAGGSA-N 2 2 255.362 -0.537 20 0 CBADLP COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1CCCn1cc[nH+]c1 ZINC000163757859 351982634 /nfs/dbraw/zinc/98/26/34/351982634.db2.gz NWKITSGBMFXAFU-QWRGUYRKSA-N 2 2 253.302 -0.119 20 0 CBADLP COC(=O)[C@@H]1C[C@H](O)C[N@H+]1CCCn1cc[nH+]c1 ZINC000163757859 351982635 /nfs/dbraw/zinc/98/26/35/351982635.db2.gz NWKITSGBMFXAFU-QWRGUYRKSA-N 2 2 253.302 -0.119 20 0 CBADLP COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1CCCn1cc[nH+]c1 ZINC000163758232 351982744 /nfs/dbraw/zinc/98/27/44/351982744.db2.gz NWKITSGBMFXAFU-GHMZBOCLSA-N 2 2 253.302 -0.119 20 0 CBADLP COC(=O)[C@H]1C[C@@H](O)C[N@H+]1CCCn1cc[nH+]c1 ZINC000163758232 351982748 /nfs/dbraw/zinc/98/27/48/351982748.db2.gz NWKITSGBMFXAFU-GHMZBOCLSA-N 2 2 253.302 -0.119 20 0 CBADLP COC(=O)[C@H]1C[C@H](O)C[N@@H+]1CCn1cc[nH+]c1C ZINC000163780108 351983136 /nfs/dbraw/zinc/98/31/36/351983136.db2.gz WSFMSYWLLDSYFZ-WDEREUQCSA-N 2 2 253.302 -0.200 20 0 CBADLP COC(=O)[C@H]1C[C@H](O)C[N@H+]1CCn1cc[nH+]c1C ZINC000163780108 351983137 /nfs/dbraw/zinc/98/31/37/351983137.db2.gz WSFMSYWLLDSYFZ-WDEREUQCSA-N 2 2 253.302 -0.200 20 0 CBADLP C[C@H](CNC(=O)[C@@]1(F)CC[NH2+]C1)[NH+]1CCOCC1 ZINC000164916172 351984427 /nfs/dbraw/zinc/98/44/27/351984427.db2.gz DICFQOZWAPLTPI-ZYHUDNBSSA-N 2 2 259.325 -0.475 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000167014048 351988272 /nfs/dbraw/zinc/98/82/72/351988272.db2.gz DRGJWAFRRZXLFY-GFCCVEGCSA-N 2 2 280.372 -0.885 20 0 CBADLP NC(=O)NC(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000173875437 352041697 /nfs/dbraw/zinc/04/16/97/352041697.db2.gz IQTBPZLCRRVGRU-NSHDSACASA-N 2 2 268.361 -0.011 20 0 CBADLP NC(=O)NC(=O)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000173875437 352041700 /nfs/dbraw/zinc/04/17/00/352041700.db2.gz IQTBPZLCRRVGRU-NSHDSACASA-N 2 2 268.361 -0.011 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000174414704 352046835 /nfs/dbraw/zinc/04/68/35/352046835.db2.gz NLIICRNAVYPLIX-GFCCVEGCSA-N 2 2 285.388 -0.456 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000174414704 352046838 /nfs/dbraw/zinc/04/68/38/352046838.db2.gz NLIICRNAVYPLIX-GFCCVEGCSA-N 2 2 285.388 -0.456 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH+]1CCOCC1 ZINC000174590765 352047996 /nfs/dbraw/zinc/04/79/96/352047996.db2.gz ZEUGIDVZSDTFPD-RYUDHWBXSA-N 2 2 271.361 -0.846 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH+]1CCOCC1 ZINC000174590765 352047998 /nfs/dbraw/zinc/04/79/98/352047998.db2.gz ZEUGIDVZSDTFPD-RYUDHWBXSA-N 2 2 271.361 -0.846 20 0 CBADLP C[C@H]1CN(C(=O)C[NH+](C)C)CCN1C(=O)C[NH+](C)C ZINC000174558360 352048649 /nfs/dbraw/zinc/04/86/49/352048649.db2.gz NKIHWDYWOSDXCG-NSHDSACASA-N 2 2 270.377 -0.831 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000174642206 352049753 /nfs/dbraw/zinc/04/97/53/352049753.db2.gz QHHVNEXUYUPXMR-NWDGAFQWSA-N 2 2 271.361 -0.846 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000174642206 352049755 /nfs/dbraw/zinc/04/97/55/352049755.db2.gz QHHVNEXUYUPXMR-NWDGAFQWSA-N 2 2 271.361 -0.846 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@](C)(O)C2)CC1 ZINC000177975137 352076057 /nfs/dbraw/zinc/07/60/57/352076057.db2.gz ZUMCEAPEEHHLRS-GXTWGEPZSA-N 2 2 269.389 -0.004 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@](C)(O)C2)CC1 ZINC000177975137 352076059 /nfs/dbraw/zinc/07/60/59/352076059.db2.gz ZUMCEAPEEHHLRS-GXTWGEPZSA-N 2 2 269.389 -0.004 20 0 CBADLP COC(=O)CNC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000177057454 352070268 /nfs/dbraw/zinc/07/02/68/352070268.db2.gz AJYAUVHJGUCOGF-WDEREUQCSA-N 2 2 271.361 -0.310 20 0 CBADLP COC(=O)CNC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000177057454 352070270 /nfs/dbraw/zinc/07/02/70/352070270.db2.gz AJYAUVHJGUCOGF-WDEREUQCSA-N 2 2 271.361 -0.310 20 0 CBADLP COC(=O)CNC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000177057454 352070271 /nfs/dbraw/zinc/07/02/71/352070271.db2.gz AJYAUVHJGUCOGF-WDEREUQCSA-N 2 2 271.361 -0.310 20 0 CBADLP COC(=O)CNC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000177057454 352070274 /nfs/dbraw/zinc/07/02/74/352070274.db2.gz AJYAUVHJGUCOGF-WDEREUQCSA-N 2 2 271.361 -0.310 20 0 CBADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000172247898 352023703 /nfs/dbraw/zinc/02/37/03/352023703.db2.gz RSAUEKOKJDVABD-CYBMUJFWSA-N 2 2 296.415 -0.075 20 0 CBADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000172247898 352023704 /nfs/dbraw/zinc/02/37/04/352023704.db2.gz RSAUEKOKJDVABD-CYBMUJFWSA-N 2 2 296.415 -0.075 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000172750694 352029624 /nfs/dbraw/zinc/02/96/24/352029624.db2.gz ZLSBIGIZOUNRMA-LBPRGKRZSA-N 2 2 271.361 -0.892 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000172750694 352029628 /nfs/dbraw/zinc/02/96/28/352029628.db2.gz ZLSBIGIZOUNRMA-LBPRGKRZSA-N 2 2 271.361 -0.892 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCO[C@H](COC)C2)CC1 ZINC000172890083 352032647 /nfs/dbraw/zinc/03/26/47/352032647.db2.gz ATWXQTVQVMDFBN-KGLIPLIRSA-N 2 2 299.415 -0.114 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCO[C@H](COC)C2)CC1 ZINC000172890083 352032651 /nfs/dbraw/zinc/03/26/51/352032651.db2.gz ATWXQTVQVMDFBN-KGLIPLIRSA-N 2 2 299.415 -0.114 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)NCCCn2cc[nH+]c2)C1 ZINC000173600217 352039248 /nfs/dbraw/zinc/03/92/48/352039248.db2.gz YUMULHBMSPZOKZ-LLVKDONJSA-N 2 2 252.318 -0.280 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)NCCCn2cc[nH+]c2)C1 ZINC000173600217 352039250 /nfs/dbraw/zinc/03/92/50/352039250.db2.gz YUMULHBMSPZOKZ-LLVKDONJSA-N 2 2 252.318 -0.280 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCCC[C@]2(C)C(N)=O)CC1 ZINC000185883944 352121384 /nfs/dbraw/zinc/12/13/84/352121384.db2.gz QLTCALMOTUOVDJ-CQSZACIVSA-N 2 2 282.388 -0.510 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CCCC[C@]2(C)C(N)=O)CC1 ZINC000185883944 352121387 /nfs/dbraw/zinc/12/13/87/352121387.db2.gz QLTCALMOTUOVDJ-CQSZACIVSA-N 2 2 282.388 -0.510 20 0 CBADLP [NH3+]Cc1ccc(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)cc1 ZINC000186474024 352128049 /nfs/dbraw/zinc/12/80/49/352128049.db2.gz WWYXTMKWGHFNQG-CQSZACIVSA-N 2 2 274.368 -0.125 20 0 CBADLP CC[C@H](C(=O)N1CC[NH+](C[C@@H](C)O)CC1)[NH+](C)C ZINC000186792141 352131361 /nfs/dbraw/zinc/13/13/61/352131361.db2.gz OXTUFGDTICIION-VXGBXAGGSA-N 2 2 257.378 -0.148 20 0 CBADLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@H]1CSC[NH2+]1 ZINC000178764097 352083755 /nfs/dbraw/zinc/08/37/55/352083755.db2.gz FUBNYAAKVHPJKN-SNVBAGLBSA-N 2 2 273.402 -0.124 20 0 CBADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@H]1CSC[NH2+]1 ZINC000178764097 352083758 /nfs/dbraw/zinc/08/37/58/352083758.db2.gz FUBNYAAKVHPJKN-SNVBAGLBSA-N 2 2 273.402 -0.124 20 0 CBADLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000178764131 352083873 /nfs/dbraw/zinc/08/38/73/352083873.db2.gz KHPDGABITMITJQ-CYBMUJFWSA-N 2 2 273.352 -0.085 20 0 CBADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000178764131 352083875 /nfs/dbraw/zinc/08/38/75/352083875.db2.gz KHPDGABITMITJQ-CYBMUJFWSA-N 2 2 273.352 -0.085 20 0 CBADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000178881663 352084256 /nfs/dbraw/zinc/08/42/56/352084256.db2.gz YRLLPXRHYNUMLT-CHWSQXEVSA-N 2 2 268.405 -0.262 20 0 CBADLP O=C([C@H]1CSC[NH2+]1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178844986 352084794 /nfs/dbraw/zinc/08/47/94/352084794.db2.gz ZGZZTLUXVQSFTP-NWDGAFQWSA-N 2 2 285.413 -0.170 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1CCC[NH2+]C1)[NH+]1CCN(C)CC1 ZINC000178880567 352085091 /nfs/dbraw/zinc/08/50/91/352085091.db2.gz FZKYIGFZKNFXOR-QWHCGFSZSA-N 2 2 268.405 -0.262 20 0 CBADLP COC(=O)C[C@H]1CCC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000180647931 352096591 /nfs/dbraw/zinc/09/65/91/352096591.db2.gz FRNOSEZMEBMMOM-GFCCVEGCSA-N 2 2 283.372 -0.212 20 0 CBADLP COC(=O)C[C@H]1CCC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000180647931 352096594 /nfs/dbraw/zinc/09/65/94/352096594.db2.gz FRNOSEZMEBMMOM-GFCCVEGCSA-N 2 2 283.372 -0.212 20 0 CBADLP O=C1C[C@@H]([NH2+][C@H]2CCCOC2)CN1CC[NH+]1CCOCC1 ZINC000181039704 352097334 /nfs/dbraw/zinc/09/73/34/352097334.db2.gz IYDOANFALDGTPO-UONOGXRCSA-N 2 2 297.399 -0.312 20 0 CBADLP CN(C)c1cc[nH+]cc1C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000184009977 352111335 /nfs/dbraw/zinc/11/13/35/352111335.db2.gz KLKPFLUZKCWWEO-LBPRGKRZSA-N 2 2 289.383 -0.123 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)NCC(F)(F)C[NH3+])C1 ZINC000190241362 352178858 /nfs/dbraw/zinc/17/88/58/352178858.db2.gz USJKDEGRZSWMPD-QMMMGPOBSA-N 2 2 251.277 -0.583 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)NCC(F)(F)C[NH3+])C1 ZINC000190241362 352178860 /nfs/dbraw/zinc/17/88/60/352178860.db2.gz USJKDEGRZSWMPD-QMMMGPOBSA-N 2 2 251.277 -0.583 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@H]2C[C@H](OC)C[NH2+]2)CC1 ZINC000187897327 352143957 /nfs/dbraw/zinc/14/39/57/352143957.db2.gz TZOXZUBPHNYCTI-NWDGAFQWSA-N 2 2 271.361 -0.846 20 0 CBADLP CO[C@@H]1C[NH2+][C@@H](C(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000187946860 352144040 /nfs/dbraw/zinc/14/40/40/352144040.db2.gz CEFOARPTLPCCRW-NWDGAFQWSA-N 2 2 285.388 -0.410 20 0 CBADLP CO[C@@H]1C[NH2+][C@@H](C(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000187946860 352144042 /nfs/dbraw/zinc/14/40/42/352144042.db2.gz CEFOARPTLPCCRW-NWDGAFQWSA-N 2 2 285.388 -0.410 20 0 CBADLP CCOCC[N@@H+]1CCN(C(=O)[C@H]2C[C@H](OC)C[NH2+]2)C[C@H]1C ZINC000187950932 352144974 /nfs/dbraw/zinc/14/49/74/352144974.db2.gz KTSAHIRJASAEPQ-HZSPNIEDSA-N 2 2 299.415 -0.068 20 0 CBADLP CCOCC[N@H+]1CCN(C(=O)[C@H]2C[C@H](OC)C[NH2+]2)C[C@H]1C ZINC000187950932 352144978 /nfs/dbraw/zinc/14/49/78/352144978.db2.gz KTSAHIRJASAEPQ-HZSPNIEDSA-N 2 2 299.415 -0.068 20 0 CBADLP C[NH+]1CCN(C(=O)CCNC(=O)c2c[nH+]ccc2N)CC1 ZINC000188070279 352146167 /nfs/dbraw/zinc/14/61/67/352146167.db2.gz XHCOWVYTFNJGOE-UHFFFAOYSA-N 2 2 291.355 -0.442 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1C[NH2+]CCO1)Cn1cc[nH+]c1 ZINC000188109104 352147853 /nfs/dbraw/zinc/14/78/53/352147853.db2.gz UXTACOQTKSRTPI-WDEREUQCSA-N 2 2 252.318 -0.376 20 0 CBADLP Cn1cc(C[NH2+]C[C@@H]2CCC[N@@H+]2C)c(=O)n(C)c1=O ZINC000221140861 352239701 /nfs/dbraw/zinc/23/97/01/352239701.db2.gz SVAXVBOEGAGGQR-NSHDSACASA-N 2 2 266.345 -0.732 20 0 CBADLP Cn1cc(C[NH2+]C[C@@H]2CCC[N@H+]2C)c(=O)n(C)c1=O ZINC000221140861 352239702 /nfs/dbraw/zinc/23/97/02/352239702.db2.gz SVAXVBOEGAGGQR-NSHDSACASA-N 2 2 266.345 -0.732 20 0 CBADLP C[NH2+]CC(=O)N1CC[NH+]([C@@H](C)CC(=O)OC)CC1 ZINC000193131757 352203663 /nfs/dbraw/zinc/20/36/63/352203663.db2.gz JOGCRQDUMABVCG-JTQLQIEISA-N 2 2 257.334 -0.698 20 0 CBADLP C[N@H+]1C[C@@H]2C[NH+](CC(=O)NC[C@H]3CCCO3)C[C@@H]2C1 ZINC000193611974 352207784 /nfs/dbraw/zinc/20/77/84/352207784.db2.gz DPZOUAXUKKYDOG-FRRDWIJNSA-N 2 2 267.373 -0.225 20 0 CBADLP C[N@@H+]1C[C@@H]2C[NH+](CC(=O)NC[C@H]3CCCO3)C[C@@H]2C1 ZINC000193611974 352207786 /nfs/dbraw/zinc/20/77/86/352207786.db2.gz DPZOUAXUKKYDOG-FRRDWIJNSA-N 2 2 267.373 -0.225 20 0 CBADLP C[NH+]1C[C@@H]2C[N@@H+](CC(=O)NC[C@H]3CCCO3)C[C@@H]2C1 ZINC000193611974 352207788 /nfs/dbraw/zinc/20/77/88/352207788.db2.gz DPZOUAXUKKYDOG-FRRDWIJNSA-N 2 2 267.373 -0.225 20 0 CBADLP C[NH+]1C[C@@H]2C[N@H+](CC(=O)NC[C@H]3CCCO3)C[C@@H]2C1 ZINC000193611974 352207789 /nfs/dbraw/zinc/20/77/89/352207789.db2.gz DPZOUAXUKKYDOG-FRRDWIJNSA-N 2 2 267.373 -0.225 20 0 CBADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)c1c[nH+]ccc1N ZINC000221468375 352241155 /nfs/dbraw/zinc/24/11/55/352241155.db2.gz PHCKHWPEROLVCP-JTQLQIEISA-N 2 2 263.345 -0.361 20 0 CBADLP CC[C@H](C)[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C[NH3+])C1)C(=O)OC ZINC000224220554 352246427 /nfs/dbraw/zinc/24/64/27/352246427.db2.gz UKAYHRNMTIBZCE-GMXVVIOVSA-N 2 2 285.388 -0.029 20 0 CBADLP CC[C@H](C)[C@@H](NC(=O)C[N@H+]1CC[C@@H](C[NH3+])C1)C(=O)OC ZINC000224220554 352246432 /nfs/dbraw/zinc/24/64/32/352246432.db2.gz UKAYHRNMTIBZCE-GMXVVIOVSA-N 2 2 285.388 -0.029 20 0 CBADLP CC[NH+]1CCN(CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000244032328 352316941 /nfs/dbraw/zinc/31/69/41/352316941.db2.gz STSQZXBNBDNXKP-UHFFFAOYSA-N 2 2 268.405 -0.212 20 0 CBADLP CCN1CC[NH+](CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000244032328 352316942 /nfs/dbraw/zinc/31/69/42/352316942.db2.gz STSQZXBNBDNXKP-UHFFFAOYSA-N 2 2 268.405 -0.212 20 0 CBADLP CO[C@@H](C[NH3+])CC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000232120334 352279717 /nfs/dbraw/zinc/27/97/17/352279717.db2.gz RIVLDYLWCRUMAN-VXGBXAGGSA-N 2 2 271.361 -0.717 20 0 CBADLP COCCOC[C@H](O)C[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000234910886 352286192 /nfs/dbraw/zinc/28/61/92/352286192.db2.gz RVXIUFRBAFSWPD-VXGBXAGGSA-N 2 2 257.334 -0.115 20 0 CBADLP O[C@H](C[NH2+]C[C@@H](O)C(F)(F)F)C[NH+]1CCCC1 ZINC000236537169 352290465 /nfs/dbraw/zinc/29/04/65/352290465.db2.gz YVUJADDVNYZXCH-RKDXNWHRSA-N 2 2 256.268 -0.044 20 0 CBADLP CC(C)[C@H](CNC(=O)[C@@H]1COCC[NH2+]1)[NH+]1CCOCC1 ZINC000236664047 352291932 /nfs/dbraw/zinc/29/19/32/352291932.db2.gz WQNBKRQEQGMSTM-STQMWFEESA-N 2 2 285.388 -0.552 20 0 CBADLP CC(C)[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000236761260 352293321 /nfs/dbraw/zinc/29/33/21/352293321.db2.gz FNUOTWIWDAAYDF-RYUDHWBXSA-N 2 2 255.362 -0.051 20 0 CBADLP CC(C)[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000236761260 352293325 /nfs/dbraw/zinc/29/33/25/352293325.db2.gz FNUOTWIWDAAYDF-RYUDHWBXSA-N 2 2 255.362 -0.051 20 0 CBADLP CC[NH2+]CCNC(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000236907552 352296171 /nfs/dbraw/zinc/29/61/71/352296171.db2.gz MLEUXPKKZROIBS-UHFFFAOYSA-N 2 2 291.399 -0.071 20 0 CBADLP C[NH2+]C[C@@H](C)C(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000237174375 352301181 /nfs/dbraw/zinc/30/11/81/352301181.db2.gz XLYQYUFFHPMLDT-VXGBXAGGSA-N 2 2 296.415 -0.347 20 0 CBADLP C[NH2+]CC(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000237266730 352302150 /nfs/dbraw/zinc/30/21/50/352302150.db2.gz XJZYUTRZLAMHEW-CYBMUJFWSA-N 2 2 291.399 -0.072 20 0 CBADLP C[NH2+]CC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000237235195 352302442 /nfs/dbraw/zinc/30/24/42/352302442.db2.gz PZXPZFHMHNELJV-LBPRGKRZSA-N 2 2 273.402 -0.470 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1C[NH2+]CCO1)Cn1cc[nH+]c1 ZINC000237440151 352304780 /nfs/dbraw/zinc/30/47/80/352304780.db2.gz UXTACOQTKSRTPI-MNOVXSKESA-N 2 2 252.318 -0.376 20 0 CBADLP C[C@@H]([NH3+])C(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000237452229 352305203 /nfs/dbraw/zinc/30/52/03/352305203.db2.gz BZWNMEBTXFLXIE-NEPJUHHUSA-N 2 2 282.388 -0.511 20 0 CBADLP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C[NH3+] ZINC000237514594 352305765 /nfs/dbraw/zinc/30/57/65/352305765.db2.gz RYEPTLFRZWQKLD-LBPRGKRZSA-N 2 2 277.372 -0.333 20 0 CBADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)[C@@H]2COCC[NH2+]2)C[C@@H](C)O1 ZINC000237494326 352305780 /nfs/dbraw/zinc/30/57/80/352305780.db2.gz NQSXNLOSSBLFTN-UPJWGTAASA-N 2 2 299.415 -0.021 20 0 CBADLP C[C@@H]1C[NH+](CCCNC(=O)[C@@H]2COCC[NH2+]2)C[C@@H](C)O1 ZINC000237506199 352305940 /nfs/dbraw/zinc/30/59/40/352305940.db2.gz PTWLFCABFQEFNI-UPJWGTAASA-N 2 2 285.388 -0.410 20 0 CBADLP C[C@H](C[NH3+])CNC(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000237530245 352306911 /nfs/dbraw/zinc/30/69/11/352306911.db2.gz JNFSARRPFQYNMH-CYBMUJFWSA-N 2 2 291.399 -0.085 20 0 CBADLP C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)CC[NH3+])CC1 ZINC000237649657 352308056 /nfs/dbraw/zinc/30/80/56/352308056.db2.gz YFTUNPJYBYQXKR-CYBMUJFWSA-N 2 2 296.415 -0.120 20 0 CBADLP C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1COCC[NH2+]1 ZINC000237678223 352309077 /nfs/dbraw/zinc/30/90/77/352309077.db2.gz GNVKROKYONMCCF-NEPJUHHUSA-N 2 2 255.362 -0.035 20 0 CBADLP C[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1COCC[NH2+]1 ZINC000237678223 352309081 /nfs/dbraw/zinc/30/90/81/352309081.db2.gz GNVKROKYONMCCF-NEPJUHHUSA-N 2 2 255.362 -0.035 20 0 CBADLP [NH3+]CCCC(=O)N1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000237903189 352311181 /nfs/dbraw/zinc/31/11/81/352311181.db2.gz QTQCUPMQDVDPNW-UHFFFAOYSA-N 2 2 296.415 -0.118 20 0 CBADLP [NH3+]CCC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000237862865 352311312 /nfs/dbraw/zinc/31/13/12/352311312.db2.gz QWXTVCZINHNKPU-LBPRGKRZSA-N 2 2 273.402 -0.341 20 0 CBADLP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]1COCC[NH2+]1 ZINC000245434726 352320557 /nfs/dbraw/zinc/32/05/57/352320557.db2.gz PZZCNPUXBGIBIA-VXGBXAGGSA-N 2 2 255.362 -0.083 20 0 CBADLP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]1COCC[NH2+]1 ZINC000245434726 352320559 /nfs/dbraw/zinc/32/05/59/352320559.db2.gz PZZCNPUXBGIBIA-VXGBXAGGSA-N 2 2 255.362 -0.083 20 0 CBADLP C[C@H]([C@H](C)NC(=O)[C@H]1CCC[NH2+]1)[NH+]1CCOCC1 ZINC000246558154 352335074 /nfs/dbraw/zinc/33/50/74/352335074.db2.gz UGELVUFZPAXQPQ-QJPTWQEYSA-N 2 2 255.362 -0.036 20 0 CBADLP C[C@H]1CN(C(=O)[C@H]2C[NH+](C)CCO2)CC[N@@H+]1CC(C)(C)O ZINC000249419101 352365325 /nfs/dbraw/zinc/36/53/25/352365325.db2.gz WUXBFAZEEDOQIR-QWHCGFSZSA-N 2 2 299.415 -0.379 20 0 CBADLP C[C@H]1CN(C(=O)[C@H]2C[NH+](C)CCO2)CC[N@H+]1CC(C)(C)O ZINC000249419101 352365326 /nfs/dbraw/zinc/36/53/26/352365326.db2.gz WUXBFAZEEDOQIR-QWHCGFSZSA-N 2 2 299.415 -0.379 20 0 CBADLP C[C@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)CC[NH+]1CC(C)(C)O ZINC000249419101 352365327 /nfs/dbraw/zinc/36/53/27/352365327.db2.gz WUXBFAZEEDOQIR-QWHCGFSZSA-N 2 2 299.415 -0.379 20 0 CBADLP C[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC[NH+]1CC(C)(C)O ZINC000249419101 352365328 /nfs/dbraw/zinc/36/53/28/352365328.db2.gz WUXBFAZEEDOQIR-QWHCGFSZSA-N 2 2 299.415 -0.379 20 0 CBADLP C[C@@H]1C[N@H+](CC(=O)NC[C@@H]2CCCO2)CC[C@H]1[NH3+] ZINC000251690922 352374744 /nfs/dbraw/zinc/37/47/44/352374744.db2.gz IIMISLYMMBQHJH-GRYCIOLGSA-N 2 2 255.362 -0.049 20 0 CBADLP C[C@@H]1C[N@@H+](CC(=O)NC[C@@H]2CCCO2)CC[C@H]1[NH3+] ZINC000251690922 352374747 /nfs/dbraw/zinc/37/47/47/352374747.db2.gz IIMISLYMMBQHJH-GRYCIOLGSA-N 2 2 255.362 -0.049 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H]3CC[C@H](O)[C@H]3C2)CC1 ZINC000252859919 352380194 /nfs/dbraw/zinc/38/01/94/352380194.db2.gz JMCYQVYBBBMFOT-AVGNSLFASA-N 2 2 267.373 -0.537 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2C[C@@H]3CC[C@H](O)[C@H]3C2)CC1 ZINC000252859919 352380196 /nfs/dbraw/zinc/38/01/96/352380196.db2.gz JMCYQVYBBBMFOT-AVGNSLFASA-N 2 2 267.373 -0.537 20 0 CBADLP CCN(CC)C(=O)C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261582922 352388690 /nfs/dbraw/zinc/38/86/90/352388690.db2.gz GWVZVZIBIKBLAZ-CYBMUJFWSA-N 2 2 268.405 -0.166 20 0 CBADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261589871 352389891 /nfs/dbraw/zinc/38/98/91/352389891.db2.gz LBIWKGCSIRMVCK-DCAQKATOSA-N 2 2 268.361 -0.238 20 0 CBADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261589871 352389894 /nfs/dbraw/zinc/38/98/94/352389894.db2.gz LBIWKGCSIRMVCK-DCAQKATOSA-N 2 2 268.361 -0.238 20 0 CBADLP CC(=O)N1CCN(C(=O)C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000261598922 352390787 /nfs/dbraw/zinc/39/07/87/352390787.db2.gz BANGIDJPIOAZBO-ZIAGYGMSSA-N 2 2 294.399 -0.782 20 0 CBADLP CC(=O)N1CCN(C(=O)C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000261598922 352390791 /nfs/dbraw/zinc/39/07/91/352390791.db2.gz BANGIDJPIOAZBO-ZIAGYGMSSA-N 2 2 294.399 -0.782 20 0 CBADLP C[C@@H]1C[N@H+](CCOc2ccc(S(N)(=O)=O)cc2)C[C@H]1[NH3+] ZINC000261640296 352391696 /nfs/dbraw/zinc/39/16/96/352391696.db2.gz KRWPVMDMKPGEDZ-ZWNOBZJWSA-N 2 2 299.396 -0.008 20 0 CBADLP C[C@@H]1C[N@@H+](CCOc2ccc(S(N)(=O)=O)cc2)C[C@H]1[NH3+] ZINC000261640296 352391700 /nfs/dbraw/zinc/39/17/00/352391700.db2.gz KRWPVMDMKPGEDZ-ZWNOBZJWSA-N 2 2 299.396 -0.008 20 0 CBADLP CC(=O)N1CCN(C(=O)C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000261622702 352392073 /nfs/dbraw/zinc/39/20/73/352392073.db2.gz GRGVDMXDHXPJPK-ZIAGYGMSSA-N 2 2 294.399 -0.639 20 0 CBADLP CC(=O)N1CCN(C(=O)C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000261622702 352392074 /nfs/dbraw/zinc/39/20/74/352392074.db2.gz GRGVDMXDHXPJPK-ZIAGYGMSSA-N 2 2 294.399 -0.639 20 0 CBADLP COC[C@]1(C(=O)NCC(C)(C)[NH+]2CCOCC2)CC[NH2+]C1 ZINC000261661380 352393194 /nfs/dbraw/zinc/39/31/94/352393194.db2.gz KQABREAQDISWIU-HNNXBMFYSA-N 2 2 299.415 -0.161 20 0 CBADLP CC(C)(C(N)=O)[NH+]1CCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000261707535 352394237 /nfs/dbraw/zinc/39/42/37/352394237.db2.gz DDMSRYIHVXKQKB-CQSZACIVSA-N 2 2 268.405 -0.133 20 0 CBADLP CC(C)(C(N)=O)N1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000261707535 352394238 /nfs/dbraw/zinc/39/42/38/352394238.db2.gz DDMSRYIHVXKQKB-CQSZACIVSA-N 2 2 268.405 -0.133 20 0 CBADLP COC[C@@H](C)NC(=O)NC(=O)C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261747112 352395220 /nfs/dbraw/zinc/39/52/20/352395220.db2.gz PVLNIDBKXKDAJA-ZWNOBZJWSA-N 2 2 286.376 -0.482 20 0 CBADLP COC[C@@H](C)NC(=O)NC(=O)C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261747112 352395225 /nfs/dbraw/zinc/39/52/25/352395225.db2.gz PVLNIDBKXKDAJA-ZWNOBZJWSA-N 2 2 286.376 -0.482 20 0 CBADLP Cn1cc(C[NH+]2CCN(C(=O)[C@@H]3CCC[NH2+]3)CC2)cn1 ZINC000261778017 352396932 /nfs/dbraw/zinc/39/69/32/352396932.db2.gz SYXKZCFZKMWWKK-ZDUSSCGKSA-N 2 2 277.372 -0.184 20 0 CBADLP CCN(CC)C(=O)C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000261822292 352397387 /nfs/dbraw/zinc/39/73/87/352397387.db2.gz UQBXWGBDJHWXMN-ZDUSSCGKSA-N 2 2 296.415 -0.249 20 0 CBADLP CCN(CC)C(=O)C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000261822292 352397391 /nfs/dbraw/zinc/39/73/91/352397391.db2.gz UQBXWGBDJHWXMN-ZDUSSCGKSA-N 2 2 296.415 -0.249 20 0 CBADLP C[NH2+][C@H]1CCC[N@H+](CCC(=O)N2CCOCC2)C1 ZINC000261851234 352398808 /nfs/dbraw/zinc/39/88/08/352398808.db2.gz XZLSIHSSSIIWKX-LBPRGKRZSA-N 2 2 255.362 -0.081 20 0 CBADLP C[NH2+][C@H]1CCC[N@@H+](CCC(=O)N2CCOCC2)C1 ZINC000261851234 352398810 /nfs/dbraw/zinc/39/88/10/352398810.db2.gz XZLSIHSSSIIWKX-LBPRGKRZSA-N 2 2 255.362 -0.081 20 0 CBADLP C[C@@H]([NH3+])C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000261870506 352398833 /nfs/dbraw/zinc/39/88/33/352398833.db2.gz QPYNZBDZHGOLEK-SNVBAGLBSA-N 2 2 264.329 -0.118 20 0 CBADLP CC[C@@H]1CN(C(=O)[C@@H]([NH3+])COC)C[C@H]1[NH+]1CCOCC1 ZINC000262212748 352410514 /nfs/dbraw/zinc/41/05/14/352410514.db2.gz FBGKORFKOCMJJH-FRRDWIJNSA-N 2 2 285.388 -0.471 20 0 CBADLP COC[C@@H]([NH3+])C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000262270120 352413399 /nfs/dbraw/zinc/41/33/99/352413399.db2.gz KGXRCKYUVSIEFP-CHWSQXEVSA-N 2 2 285.388 -0.327 20 0 CBADLP C[NH2+]CCC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000262307001 352415812 /nfs/dbraw/zinc/41/58/12/352415812.db2.gz CJBZRUCKFJPZHI-UHFFFAOYSA-N 2 2 265.361 -0.326 20 0 CBADLP CC1(C)COCC[N@@H+]1CCNC(=O)C[C@@H]1COCC[NH2+]1 ZINC000262401244 352420082 /nfs/dbraw/zinc/42/00/82/352420082.db2.gz POOOOZQNJMWRMU-GFCCVEGCSA-N 2 2 285.388 -0.408 20 0 CBADLP CC1(C)COCC[N@H+]1CCNC(=O)C[C@@H]1COCC[NH2+]1 ZINC000262401244 352420086 /nfs/dbraw/zinc/42/00/86/352420086.db2.gz POOOOZQNJMWRMU-GFCCVEGCSA-N 2 2 285.388 -0.408 20 0 CBADLP CC(C)[C@H](CNC(=O)[C@@H]1C[C@H](O)C[NH2+]1)[NH+]1CCOCC1 ZINC000262498291 352424425 /nfs/dbraw/zinc/42/44/25/352424425.db2.gz KIUKPOHAEKBEGI-AVGNSLFASA-N 2 2 285.388 -0.818 20 0 CBADLP [NH3+]CCCC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000262624487 352428577 /nfs/dbraw/zinc/42/85/77/352428577.db2.gz AUACZALRHYTAOL-UHFFFAOYSA-N 2 2 292.387 -0.546 20 0 CBADLP O=C(C[C@@H]1COCC[NH2+]1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000262028611 352404341 /nfs/dbraw/zinc/40/43/41/352404341.db2.gz BEEISXRQHLGNAN-ZIAGYGMSSA-N 2 2 297.399 -0.312 20 0 CBADLP Cc1nc2n(n1)CC[N@H+](CCC(=O)N1CC[NH2+]CC1)C2 ZINC000262044107 352404426 /nfs/dbraw/zinc/40/44/26/352404426.db2.gz HVJOULMZVZEGQW-UHFFFAOYSA-N 2 2 278.360 -0.776 20 0 CBADLP Cc1nc2n(n1)CC[N@@H+](CCC(=O)N1CC[NH2+]CC1)C2 ZINC000262044107 352404429 /nfs/dbraw/zinc/40/44/29/352404429.db2.gz HVJOULMZVZEGQW-UHFFFAOYSA-N 2 2 278.360 -0.776 20 0 CBADLP C[C@@]1(C[N@@H+]2CC[C@@H](NS(C)(=O)=O)C2)CC[NH2+]C1 ZINC000262058999 352405291 /nfs/dbraw/zinc/40/52/91/352405291.db2.gz QXPWKNISFGSZRE-GHMZBOCLSA-N 2 2 261.391 -0.391 20 0 CBADLP C[C@@]1(C[N@H+]2CC[C@@H](NS(C)(=O)=O)C2)CC[NH2+]C1 ZINC000262058999 352405296 /nfs/dbraw/zinc/40/52/96/352405296.db2.gz QXPWKNISFGSZRE-GHMZBOCLSA-N 2 2 261.391 -0.391 20 0 CBADLP C[C@]1(C[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)CC[NH2+]C1 ZINC000262059002 352405424 /nfs/dbraw/zinc/40/54/24/352405424.db2.gz QXPWKNISFGSZRE-QWRGUYRKSA-N 2 2 261.391 -0.391 20 0 CBADLP C[C@]1(C[N@H+]2CC[C@H](NS(C)(=O)=O)C2)CC[NH2+]C1 ZINC000262059002 352405428 /nfs/dbraw/zinc/40/54/28/352405428.db2.gz QXPWKNISFGSZRE-QWRGUYRKSA-N 2 2 261.391 -0.391 20 0 CBADLP [NH3+]C1(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000262162390 352407939 /nfs/dbraw/zinc/40/79/39/352407939.db2.gz VDRRBLMKIOPFMN-UHFFFAOYSA-N 2 2 290.371 -0.794 20 0 CBADLP C[N@H+](CCCn1cc[nH+]c1)CCC(=O)NC(N)=O ZINC000269190974 352463161 /nfs/dbraw/zinc/46/31/61/352463161.db2.gz QHCVPPUSCSCKOP-UHFFFAOYSA-N 2 2 253.306 -0.210 20 0 CBADLP C[N@@H+](CCCn1cc[nH+]c1)CCC(=O)NC(N)=O ZINC000269190974 352463163 /nfs/dbraw/zinc/46/31/63/352463163.db2.gz QHCVPPUSCSCKOP-UHFFFAOYSA-N 2 2 253.306 -0.210 20 0 CBADLP CN(C)c1ccc(CNC(=O)[C@@H]2COCC[NH2+]2)c[nH+]1 ZINC000269242679 352464866 /nfs/dbraw/zinc/46/48/66/352464866.db2.gz RHALKDAOTWHATB-NSHDSACASA-N 2 2 264.329 -0.248 20 0 CBADLP [NH3+]CCCC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000269277867 352466199 /nfs/dbraw/zinc/46/61/99/352466199.db2.gz YJLUAQJRRACPHF-UHFFFAOYSA-N 2 2 281.360 -0.107 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000269687387 352479418 /nfs/dbraw/zinc/47/94/18/352479418.db2.gz IDLHNZCRPWUIFF-AAEUAGOBSA-N 2 2 283.376 -0.117 20 0 CBADLP Cc1[nH+]ccn1CCC[N@@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000270684946 352497285 /nfs/dbraw/zinc/49/72/85/352497285.db2.gz VDFWLZYQOUXYKO-LBPRGKRZSA-N 2 2 291.355 -0.776 20 0 CBADLP Cc1[nH+]ccn1CCC[N@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000270684946 352497290 /nfs/dbraw/zinc/49/72/90/352497290.db2.gz VDFWLZYQOUXYKO-LBPRGKRZSA-N 2 2 291.355 -0.776 20 0 CBADLP Cn1cc[nH+]c1N1CC[NH+](CC2OCCO2)CC1 ZINC000272196235 352513939 /nfs/dbraw/zinc/51/39/39/352513939.db2.gz ATDSAUNKZQPUGP-UHFFFAOYSA-N 2 2 252.318 -0.085 20 0 CBADLP CCN(CCC[NH+](C)C)C(=O)C(=O)NCc1[nH+]ccn1C ZINC000286692820 352647874 /nfs/dbraw/zinc/64/78/74/352647874.db2.gz CVBFRLYHFVXWNP-UHFFFAOYSA-N 2 2 295.387 -0.164 20 0 CBADLP COCC(=O)N1CC[NH+](CCc2c[nH+]cn2C)CC1 ZINC000290165393 352672505 /nfs/dbraw/zinc/67/25/05/352672505.db2.gz XWVRHOUCGQJDEA-UHFFFAOYSA-N 2 2 266.345 -0.247 20 0 CBADLP Cn1c[nH+]cc1CC[N@H+](C)CC(=O)N1CCOCC1 ZINC000290121393 352672679 /nfs/dbraw/zinc/67/26/79/352672679.db2.gz UFBQEUATBQZHDN-UHFFFAOYSA-N 2 2 266.345 -0.247 20 0 CBADLP Cn1c[nH+]cc1CC[N@@H+](C)CC(=O)N1CCOCC1 ZINC000290121393 352672683 /nfs/dbraw/zinc/67/26/83/352672683.db2.gz UFBQEUATBQZHDN-UHFFFAOYSA-N 2 2 266.345 -0.247 20 0 CBADLP O=C(NCCn1cc[nH+]c1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000283219221 352620396 /nfs/dbraw/zinc/62/03/96/352620396.db2.gz BEADPDDWCGXLKZ-UHFFFAOYSA-N 2 2 291.355 -0.694 20 0 CBADLP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NCCn2cc[nH+]c2)C1 ZINC000283914970 352632166 /nfs/dbraw/zinc/63/21/66/352632166.db2.gz LKXRSKKCZFHDTG-GFCCVEGCSA-N 2 2 293.371 -0.448 20 0 CBADLP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000284140213 352635531 /nfs/dbraw/zinc/63/55/31/352635531.db2.gz VZTUFEGIINSAHO-ZYOFXKKJSA-N 2 2 291.355 -0.121 20 0 CBADLP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000284140213 352635537 /nfs/dbraw/zinc/63/55/37/352635537.db2.gz VZTUFEGIINSAHO-ZYOFXKKJSA-N 2 2 291.355 -0.121 20 0 CBADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCn1cc[nH+]c1 ZINC000284154236 352635570 /nfs/dbraw/zinc/63/55/70/352635570.db2.gz YFIOYAUUGGPJKX-GFCCVEGCSA-N 2 2 293.371 -0.400 20 0 CBADLP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCn1cc[nH+]c1 ZINC000284154236 352635578 /nfs/dbraw/zinc/63/55/78/352635578.db2.gz YFIOYAUUGGPJKX-GFCCVEGCSA-N 2 2 293.371 -0.400 20 0 CBADLP C[C@@H](O)CNc1cc(N2CC[NH+](CCO)CC2)nc[nH+]1 ZINC000294260083 352703268 /nfs/dbraw/zinc/70/32/68/352703268.db2.gz FKSNKARUTMFZEF-LLVKDONJSA-N 2 2 281.360 -0.616 20 0 CBADLP Cc1[nH+]ccn1CCNC(=O)NCC[NH+]1CCOCC1 ZINC000299500900 352724082 /nfs/dbraw/zinc/72/40/82/352724082.db2.gz UMZJFEFPUCTZPM-UHFFFAOYSA-N 2 2 281.360 -0.177 20 0 CBADLP C[C@@H]1C[C@@H](C(=O)NC[C@H]2C[N@H+](C)CCO2)CC[NH2+]1 ZINC000300136364 352732652 /nfs/dbraw/zinc/73/26/52/352732652.db2.gz GYYRSHZLOSBCMG-WOPDTQHZSA-N 2 2 255.362 -0.179 20 0 CBADLP C[C@@H]1C[C@@H](C(=O)NC[C@H]2C[N@@H+](C)CCO2)CC[NH2+]1 ZINC000300136364 352732657 /nfs/dbraw/zinc/73/26/57/352732657.db2.gz GYYRSHZLOSBCMG-WOPDTQHZSA-N 2 2 255.362 -0.179 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@H](O)C2)CC1 ZINC000304092058 352745297 /nfs/dbraw/zinc/74/52/97/352745297.db2.gz CFJKCHDYTBYUBM-NEPJUHHUSA-N 2 2 255.362 -0.394 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@H](O)C2)CC1 ZINC000304092058 352745298 /nfs/dbraw/zinc/74/52/98/352745298.db2.gz CFJKCHDYTBYUBM-NEPJUHHUSA-N 2 2 255.362 -0.394 20 0 CBADLP C[NH2+]C[C@H]1CCC[N@H+](CCS(=O)(=O)N(C)C)C1 ZINC000310272451 352758073 /nfs/dbraw/zinc/75/80/73/352758073.db2.gz DRMOJGVRNLMWOF-LLVKDONJSA-N 2 2 263.407 -0.191 20 0 CBADLP C[NH2+]C[C@H]1CCC[N@@H+](CCS(=O)(=O)N(C)C)C1 ZINC000310272451 352758075 /nfs/dbraw/zinc/75/80/75/352758075.db2.gz DRMOJGVRNLMWOF-LLVKDONJSA-N 2 2 263.407 -0.191 20 0 CBADLP CN(C)S(=O)(=O)CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000310341429 352758853 /nfs/dbraw/zinc/75/88/53/352758853.db2.gz OBZXDPFBXPSQFZ-QWRGUYRKSA-N 2 2 261.391 -0.438 20 0 CBADLP CN(C)S(=O)(=O)CC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000310341429 352758855 /nfs/dbraw/zinc/75/88/55/352758855.db2.gz OBZXDPFBXPSQFZ-QWRGUYRKSA-N 2 2 261.391 -0.438 20 0 CBADLP CN(C)S(=O)(=O)CC[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000310341422 352759379 /nfs/dbraw/zinc/75/93/79/352759379.db2.gz OBZXDPFBXPSQFZ-GHMZBOCLSA-N 2 2 261.391 -0.438 20 0 CBADLP CN(C)S(=O)(=O)CC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000310341422 352759381 /nfs/dbraw/zinc/75/93/81/352759381.db2.gz OBZXDPFBXPSQFZ-GHMZBOCLSA-N 2 2 261.391 -0.438 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](CO)C1 ZINC000310844950 352762287 /nfs/dbraw/zinc/76/22/87/352762287.db2.gz IEBWBYUJQDGCNJ-QWHCGFSZSA-N 2 2 260.378 -0.370 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](CO)C1 ZINC000310844950 352762290 /nfs/dbraw/zinc/76/22/90/352762290.db2.gz IEBWBYUJQDGCNJ-QWHCGFSZSA-N 2 2 260.378 -0.370 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](CO)C1 ZINC000310844950 352762292 /nfs/dbraw/zinc/76/22/92/352762292.db2.gz IEBWBYUJQDGCNJ-QWHCGFSZSA-N 2 2 260.378 -0.370 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](CO)C1 ZINC000310844950 352762294 /nfs/dbraw/zinc/76/22/94/352762294.db2.gz IEBWBYUJQDGCNJ-QWHCGFSZSA-N 2 2 260.378 -0.370 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@](C)(O)C1 ZINC000310875487 352763060 /nfs/dbraw/zinc/76/30/60/352763060.db2.gz MRQJOSVDOBMDFE-CHWSQXEVSA-N 2 2 260.378 -0.228 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@](C)(O)C1 ZINC000310875487 352763064 /nfs/dbraw/zinc/76/30/64/352763064.db2.gz MRQJOSVDOBMDFE-CHWSQXEVSA-N 2 2 260.378 -0.228 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@](C)(O)C1 ZINC000310875487 352763068 /nfs/dbraw/zinc/76/30/68/352763068.db2.gz MRQJOSVDOBMDFE-CHWSQXEVSA-N 2 2 260.378 -0.228 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@](C)(O)C1 ZINC000310875487 352763071 /nfs/dbraw/zinc/76/30/71/352763071.db2.gz MRQJOSVDOBMDFE-CHWSQXEVSA-N 2 2 260.378 -0.228 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]([NH3+])CC(F)F ZINC000310926874 352764338 /nfs/dbraw/zinc/76/43/38/352764338.db2.gz SFRDQKIKZCAXOG-RKDXNWHRSA-N 2 2 265.304 -0.194 20 0 CBADLP CN1C(=O)CC[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C2CC2)C1=O ZINC000311919243 352772476 /nfs/dbraw/zinc/77/24/76/352772476.db2.gz DOXIGDHBPIXGHJ-WDEREUQCSA-N 2 2 269.345 -0.822 20 0 CBADLP CN1C(=O)CC[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)C1=O ZINC000311919243 352772478 /nfs/dbraw/zinc/77/24/78/352772478.db2.gz DOXIGDHBPIXGHJ-WDEREUQCSA-N 2 2 269.345 -0.822 20 0 CBADLP COC(=O)C[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000330416832 352821826 /nfs/dbraw/zinc/82/18/26/352821826.db2.gz CJPLTKSNHXVCMK-UHFFFAOYSA-N 2 2 257.334 -0.745 20 0 CBADLP COC(=O)C[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000330416832 352821829 /nfs/dbraw/zinc/82/18/29/352821829.db2.gz CJPLTKSNHXVCMK-UHFFFAOYSA-N 2 2 257.334 -0.745 20 0 CBADLP C[C@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)CCN1CCO ZINC000330426433 352822872 /nfs/dbraw/zinc/82/28/72/352822872.db2.gz FACDIJSSUXBSTL-AWEZNQCLSA-N 2 2 298.431 -0.851 20 0 CBADLP C[C@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)CCN1CCO ZINC000330426433 352822877 /nfs/dbraw/zinc/82/28/77/352822877.db2.gz FACDIJSSUXBSTL-AWEZNQCLSA-N 2 2 298.431 -0.851 20 0 CBADLP C[C@H]1CN(CCC(=O)N2CC[NH+](C)CC2)CC[N@@H+]1CCO ZINC000330426433 352822880 /nfs/dbraw/zinc/82/28/80/352822880.db2.gz FACDIJSSUXBSTL-AWEZNQCLSA-N 2 2 298.431 -0.851 20 0 CBADLP C[C@H]1CN(CCC(=O)N2CC[NH+](C)CC2)CC[N@H+]1CCO ZINC000330426433 352822884 /nfs/dbraw/zinc/82/28/84/352822884.db2.gz FACDIJSSUXBSTL-AWEZNQCLSA-N 2 2 298.431 -0.851 20 0 CBADLP O[C@@H](Cn1cccn1)C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000328602273 352783881 /nfs/dbraw/zinc/78/38/81/352783881.db2.gz GTPUIXOVROMIML-HUUCEWRRSA-N 2 2 294.399 -0.102 20 0 CBADLP O[C@@H](Cn1cccn1)C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000328602273 352783883 /nfs/dbraw/zinc/78/38/83/352783883.db2.gz GTPUIXOVROMIML-HUUCEWRRSA-N 2 2 294.399 -0.102 20 0 CBADLP CC(C)(CNC(=O)C[N@@H+]1CC[C@@](C)(O)C1)[NH+]1CCOCC1 ZINC000331010770 352866058 /nfs/dbraw/zinc/86/60/58/352866058.db2.gz XTUQLVYNSQYKLZ-OAHLLOKOSA-N 2 2 299.415 -0.330 20 0 CBADLP CC(C)(CNC(=O)C[N@H+]1CC[C@@](C)(O)C1)[NH+]1CCOCC1 ZINC000331010770 352866061 /nfs/dbraw/zinc/86/60/61/352866061.db2.gz XTUQLVYNSQYKLZ-OAHLLOKOSA-N 2 2 299.415 -0.330 20 0 CBADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](NC(N)=O)C2)CC1 ZINC000330529186 352840304 /nfs/dbraw/zinc/84/03/04/352840304.db2.gz QWDFAHJYALYJDW-LBPRGKRZSA-N 2 2 297.403 -0.256 20 0 CBADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](NC(N)=O)C2)CC1 ZINC000330529186 352840308 /nfs/dbraw/zinc/84/03/08/352840308.db2.gz QWDFAHJYALYJDW-LBPRGKRZSA-N 2 2 297.403 -0.256 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)NC[C@@H](C)C[NH+]2CCOCC2)[N@H+](C)C1 ZINC000330529580 352840930 /nfs/dbraw/zinc/84/09/30/352840930.db2.gz FTGIRXCKVBFRLP-RDBSUJKOSA-N 2 2 299.415 -0.210 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)NC[C@@H](C)C[NH+]2CCOCC2)[N@@H+](C)C1 ZINC000330529580 352840940 /nfs/dbraw/zinc/84/09/40/352840940.db2.gz FTGIRXCKVBFRLP-RDBSUJKOSA-N 2 2 299.415 -0.210 20 0 CBADLP CCNC(=O)NC(=O)C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000331557252 352924058 /nfs/dbraw/zinc/92/40/58/352924058.db2.gz GEASYHCHEFYDAJ-CYBMUJFWSA-N 2 2 268.361 -0.092 20 0 CBADLP CCNC(=O)NC(=O)C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000331557252 352924059 /nfs/dbraw/zinc/92/40/59/352924059.db2.gz GEASYHCHEFYDAJ-CYBMUJFWSA-N 2 2 268.361 -0.092 20 0 CBADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CC[N@@H+]1CCO ZINC000331173608 352888434 /nfs/dbraw/zinc/88/84/34/352888434.db2.gz GCEFFEVAGRCBHW-GFCCVEGCSA-N 2 2 266.345 -0.202 20 0 CBADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CC[N@H+]1CCO ZINC000331173608 352888436 /nfs/dbraw/zinc/88/84/36/352888436.db2.gz GCEFFEVAGRCBHW-GFCCVEGCSA-N 2 2 266.345 -0.202 20 0 CBADLP C[C@@H]1CN(C(=O)C(=O)N2CCn3cc[nH+]c3C2)[C@H](C)C[NH2+]1 ZINC000332619268 352970280 /nfs/dbraw/zinc/97/02/80/352970280.db2.gz NKVKKTBUFZCSEG-GHMZBOCLSA-N 2 2 291.355 -0.566 20 0 CBADLP C[C@@H]1CN(C(=O)C(=O)N2CCn3cc[nH+]c3C2)[C@@H](C)C[NH2+]1 ZINC000332619269 352970873 /nfs/dbraw/zinc/97/08/73/352970873.db2.gz NKVKKTBUFZCSEG-MNOVXSKESA-N 2 2 291.355 -0.566 20 0 CBADLP C[C@@H]1CN(C(=O)C(=O)N2CCn3cc[nH+]c3C2)C[C@H](C)[NH2+]1 ZINC000332668735 352974797 /nfs/dbraw/zinc/97/47/97/352974797.db2.gz MLLDJPNWTWSVQT-PHIMTYICSA-N 2 2 291.355 -0.566 20 0 CBADLP C[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000332183049 352939549 /nfs/dbraw/zinc/93/95/49/352939549.db2.gz PCJRPWJLYCUEGW-YNEHKIRRSA-N 2 2 294.399 -0.654 20 0 CBADLP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000332596704 352968247 /nfs/dbraw/zinc/96/82/47/352968247.db2.gz MAIBBXLBOZDHQO-STQMWFEESA-N 2 2 294.399 -0.497 20 0 CBADLP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000332596704 352968250 /nfs/dbraw/zinc/96/82/50/352968250.db2.gz MAIBBXLBOZDHQO-STQMWFEESA-N 2 2 294.399 -0.497 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000332581325 352968288 /nfs/dbraw/zinc/96/82/88/352968288.db2.gz BSMKMMQRCWMCJF-OLZOCXBDSA-N 2 2 294.399 -0.782 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000332611653 352969326 /nfs/dbraw/zinc/96/93/26/352969326.db2.gz LSLFSXFLSHPCBJ-OLZOCXBDSA-N 2 2 294.399 -0.639 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000333967456 353015468 /nfs/dbraw/zinc/01/54/68/353015468.db2.gz SAPICWITNBQBEK-FRRDWIJNSA-N 2 2 283.372 -0.704 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)NCC[NH+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000333967456 353015473 /nfs/dbraw/zinc/01/54/73/353015473.db2.gz SAPICWITNBQBEK-FRRDWIJNSA-N 2 2 283.372 -0.704 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000333967456 353015477 /nfs/dbraw/zinc/01/54/77/353015477.db2.gz SAPICWITNBQBEK-FRRDWIJNSA-N 2 2 283.372 -0.704 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000333967456 353015483 /nfs/dbraw/zinc/01/54/83/353015483.db2.gz SAPICWITNBQBEK-FRRDWIJNSA-N 2 2 283.372 -0.704 20 0 CBADLP [NH3+][C@@H]1CCN(C(=O)NC[C@H]2CC[NH2+]CC2(F)F)C1 ZINC000335056925 353029727 /nfs/dbraw/zinc/02/97/27/353029727.db2.gz BSAMPBKNTBJKPU-RKDXNWHRSA-N 2 2 262.304 -0.026 20 0 CBADLP O=C(N[C@H]1CCn2cc[nH+]c2C1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000332990276 352994736 /nfs/dbraw/zinc/99/47/36/352994736.db2.gz AFJOULOSYGKBSE-QWHCGFSZSA-N 2 2 289.383 -0.296 20 0 CBADLP O=C(N[C@H]1CCn2cc[nH+]c2C1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000332990276 352994738 /nfs/dbraw/zinc/99/47/38/352994738.db2.gz AFJOULOSYGKBSE-QWHCGFSZSA-N 2 2 289.383 -0.296 20 0 CBADLP C[N@H+](CCC[NH+]1CCCC1)CCNS(C)(=O)=O ZINC000336711319 353048644 /nfs/dbraw/zinc/04/86/44/353048644.db2.gz MAXFAWNYLZJDKO-UHFFFAOYSA-N 2 2 263.407 -0.047 20 0 CBADLP C[N@@H+](CCC[NH+]1CCCC1)CCNS(C)(=O)=O ZINC000336711319 353048651 /nfs/dbraw/zinc/04/86/51/353048651.db2.gz MAXFAWNYLZJDKO-UHFFFAOYSA-N 2 2 263.407 -0.047 20 0 CBADLP CN(C)c1[nH+]cc(C[NH2+][C@H]2CC(=O)N(C)C2)n1C ZINC000336793947 353054044 /nfs/dbraw/zinc/05/40/44/353054044.db2.gz ZCISSKZYERQVLZ-VIFPVBQESA-N 2 2 251.334 -0.194 20 0 CBADLP NS(=O)(=O)NC[C@@H]1CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000336797793 353054912 /nfs/dbraw/zinc/05/49/12/353054912.db2.gz BPBPAKQNOGNHRE-NSHDSACASA-N 2 2 287.389 -0.612 20 0 CBADLP NS(=O)(=O)NC[C@@H]1CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000336797793 353054916 /nfs/dbraw/zinc/05/49/16/353054916.db2.gz BPBPAKQNOGNHRE-NSHDSACASA-N 2 2 287.389 -0.612 20 0 CBADLP NS(=O)(=O)NC[C@H]1CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000336797792 353055193 /nfs/dbraw/zinc/05/51/93/353055193.db2.gz BPBPAKQNOGNHRE-LLVKDONJSA-N 2 2 287.389 -0.612 20 0 CBADLP NS(=O)(=O)NC[C@H]1CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000336797792 353055194 /nfs/dbraw/zinc/05/51/94/353055194.db2.gz BPBPAKQNOGNHRE-LLVKDONJSA-N 2 2 287.389 -0.612 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000338182587 353088350 /nfs/dbraw/zinc/08/83/50/353088350.db2.gz NRONCLNZINHRRA-UTUOFQBUSA-N 2 2 275.418 -0.192 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000338182587 353088353 /nfs/dbraw/zinc/08/83/53/353088353.db2.gz NRONCLNZINHRRA-UTUOFQBUSA-N 2 2 275.418 -0.192 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000338182579 353088444 /nfs/dbraw/zinc/08/84/44/353088444.db2.gz NRONCLNZINHRRA-GRYCIOLGSA-N 2 2 275.418 -0.192 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000338182579 353088446 /nfs/dbraw/zinc/08/84/46/353088446.db2.gz NRONCLNZINHRRA-GRYCIOLGSA-N 2 2 275.418 -0.192 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000338182592 353088727 /nfs/dbraw/zinc/08/87/27/353088727.db2.gz NRONCLNZINHRRA-WOPDTQHZSA-N 2 2 275.418 -0.192 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000338182592 353088731 /nfs/dbraw/zinc/08/87/31/353088731.db2.gz NRONCLNZINHRRA-WOPDTQHZSA-N 2 2 275.418 -0.192 20 0 CBADLP COC(=O)[C@H]1CCC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338307471 353094110 /nfs/dbraw/zinc/09/41/10/353094110.db2.gz PDVLURPHNFTTBE-GFCCVEGCSA-N 2 2 283.372 -0.212 20 0 CBADLP COC(=O)[C@H]1CCC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338307471 353094113 /nfs/dbraw/zinc/09/41/13/353094113.db2.gz PDVLURPHNFTTBE-GFCCVEGCSA-N 2 2 283.372 -0.212 20 0 CBADLP CN(C(=O)C[NH+](C)C)[C@@H]1CCCN(C(=O)C[NH+](C)C)CC1 ZINC000152752636 188041698 /nfs/dbraw/zinc/04/16/98/188041698.db2.gz ZEBGAKGNQXNNNP-CYBMUJFWSA-N 2 2 298.431 -0.051 20 0 CBADLP CC[C@H](Cn1cncn1)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000340472784 353172166 /nfs/dbraw/zinc/17/21/66/353172166.db2.gz BOEZIGWHHUBALR-CHWSQXEVSA-N 2 2 294.403 -0.014 20 0 CBADLP CC[C@H](Cn1cncn1)[NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000340472784 353172168 /nfs/dbraw/zinc/17/21/68/353172168.db2.gz BOEZIGWHHUBALR-CHWSQXEVSA-N 2 2 294.403 -0.014 20 0 CBADLP CNC(=O)CCNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000340257539 353160485 /nfs/dbraw/zinc/16/04/85/353160485.db2.gz XKVZEIPSTHWWNR-UHFFFAOYSA-N 2 2 299.419 -0.552 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC000340959639 353194968 /nfs/dbraw/zinc/19/49/68/353194968.db2.gz DPZWDLQQIIJWNK-CQSZACIVSA-N 2 2 298.431 -0.147 20 0 CBADLP COC(=O)CC[C@H]([NH3+])C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000342765387 353232089 /nfs/dbraw/zinc/23/20/89/353232089.db2.gz NRYZRXDHCHFYPG-MNOVXSKESA-N 2 2 287.360 -0.896 20 0 CBADLP Cc1c[nH+]c(CN(C)C[C@H](O)C[NH+]2CCOCC2)n1C ZINC000342775598 353232448 /nfs/dbraw/zinc/23/24/48/353232448.db2.gz HAZKHMOPHHPIIT-ZDUSSCGKSA-N 2 2 282.388 -0.147 20 0 CBADLP C[C@@H](C(=O)N1CC[C@H]([NH+](C)C)C1)[NH+]1CCOCC1 ZINC000342859774 353236684 /nfs/dbraw/zinc/23/66/84/353236684.db2.gz XYPHINUUAKZLHS-RYUDHWBXSA-N 2 2 255.362 -0.130 20 0 CBADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1ncc[nH]1 ZINC000342990424 353245984 /nfs/dbraw/zinc/24/59/84/353245984.db2.gz CWAWWMVCHIJFMK-SNVBAGLBSA-N 2 2 251.334 -0.161 20 0 CBADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1ncc[nH]1 ZINC000342990424 353245986 /nfs/dbraw/zinc/24/59/86/353245986.db2.gz CWAWWMVCHIJFMK-SNVBAGLBSA-N 2 2 251.334 -0.161 20 0 CBADLP CN1CC[C@H]([NH+](C)CCC[N@@H+](C)[C@H]2CCN(C)C2=O)C1=O ZINC000343748332 353289127 /nfs/dbraw/zinc/28/91/27/353289127.db2.gz WIOWCEZPEJVQTD-STQMWFEESA-N 2 2 296.415 -0.299 20 0 CBADLP CN1CC[C@H]([NH+](C)CCC[N@H+](C)[C@H]2CCN(C)C2=O)C1=O ZINC000343748332 353289129 /nfs/dbraw/zinc/28/91/29/353289129.db2.gz WIOWCEZPEJVQTD-STQMWFEESA-N 2 2 296.415 -0.299 20 0 CBADLP C[C@H]1C[N@H+](C)CCN1C(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000343766208 353289649 /nfs/dbraw/zinc/28/96/49/353289649.db2.gz DIYZYFVRWKICIT-WODVXLOZSA-N 2 2 279.384 -0.036 20 0 CBADLP C[C@H]1C[N@@H+](C)CCN1C(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000343766208 353289652 /nfs/dbraw/zinc/28/96/52/353289652.db2.gz DIYZYFVRWKICIT-WODVXLOZSA-N 2 2 279.384 -0.036 20 0 CBADLP CCn1nccc1C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000157052671 188294354 /nfs/dbraw/zinc/29/43/54/188294354.db2.gz FFXIDXQGTCVIEW-UHFFFAOYSA-N 2 2 265.361 -0.233 20 0 CBADLP CCn1nccc1C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000157052671 188294355 /nfs/dbraw/zinc/29/43/55/188294355.db2.gz FFXIDXQGTCVIEW-UHFFFAOYSA-N 2 2 265.361 -0.233 20 0 CBADLP Cn1cc(C[N@@H+]2CCC[C@H]([NH3+])C2)c(=O)n(C)c1=O ZINC000346077830 353360469 /nfs/dbraw/zinc/36/04/69/353360469.db2.gz AWNCOXHAGTZNKB-JTQLQIEISA-N 2 2 252.318 -0.993 20 0 CBADLP Cn1cc(C[N@H+]2CCC[C@H]([NH3+])C2)c(=O)n(C)c1=O ZINC000346077830 353360470 /nfs/dbraw/zinc/36/04/70/353360470.db2.gz AWNCOXHAGTZNKB-JTQLQIEISA-N 2 2 252.318 -0.993 20 0 CBADLP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@H](C)C[NH+]2CCOCC2)C1 ZINC000346167231 353364653 /nfs/dbraw/zinc/36/46/53/353364653.db2.gz XJZNVABJCXIUPH-KGLIPLIRSA-N 2 2 299.415 -0.068 20 0 CBADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@H](C)C[NH+]2CCOCC2)C1 ZINC000346167231 353364655 /nfs/dbraw/zinc/36/46/55/353364655.db2.gz XJZNVABJCXIUPH-KGLIPLIRSA-N 2 2 299.415 -0.068 20 0 CBADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000346167234 353364797 /nfs/dbraw/zinc/36/47/97/353364797.db2.gz XJZNVABJCXIUPH-UONOGXRCSA-N 2 2 299.415 -0.068 20 0 CBADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000346167234 353364801 /nfs/dbraw/zinc/36/48/01/353364801.db2.gz XJZNVABJCXIUPH-UONOGXRCSA-N 2 2 299.415 -0.068 20 0 CBADLP CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@@H](C)[NH+]2CCOCC2)C1 ZINC000346213194 353366211 /nfs/dbraw/zinc/36/62/11/353366211.db2.gz ZGCVXNLCLORRKG-KGLIPLIRSA-N 2 2 299.415 -0.068 20 0 CBADLP CC(C)[N@H+]1CCO[C@H](C(=O)NC[C@@H](C)[NH+]2CCOCC2)C1 ZINC000346213194 353366215 /nfs/dbraw/zinc/36/62/15/353366215.db2.gz ZGCVXNLCLORRKG-KGLIPLIRSA-N 2 2 299.415 -0.068 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000347974423 353403162 /nfs/dbraw/zinc/40/31/62/353403162.db2.gz KUXYZZJTPQRYCT-QWHCGFSZSA-N 2 2 296.415 -0.251 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000347974423 353403163 /nfs/dbraw/zinc/40/31/63/353403163.db2.gz KUXYZZJTPQRYCT-QWHCGFSZSA-N 2 2 296.415 -0.251 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)CCOC1C[NH2+]C1 ZINC000348987303 353443351 /nfs/dbraw/zinc/44/33/51/353443351.db2.gz FFDFZUXMRXJPAC-NSHDSACASA-N 2 2 271.361 -0.798 20 0 CBADLP C[C@@H](CC[NH+](C)C)NC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000349639114 353458106 /nfs/dbraw/zinc/45/81/06/353458106.db2.gz RCULNOIPPWFGIN-STQMWFEESA-N 2 2 285.436 -0.128 20 0 CBADLP C[C@@H](CC[NH+](C)C)NC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000349639114 353458108 /nfs/dbraw/zinc/45/81/08/353458108.db2.gz RCULNOIPPWFGIN-STQMWFEESA-N 2 2 285.436 -0.128 20 0 CBADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CC[NH+](C)CC1 ZINC000350051159 353470762 /nfs/dbraw/zinc/47/07/62/353470762.db2.gz QFXFMJMPGPIULS-LBPRGKRZSA-N 2 2 269.393 -0.811 20 0 CBADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1CC[NH+](C)CC1 ZINC000350051159 353470764 /nfs/dbraw/zinc/47/07/64/353470764.db2.gz QFXFMJMPGPIULS-LBPRGKRZSA-N 2 2 269.393 -0.811 20 0 CBADLP CC[NH+]1CCN(C(=O)NC[C@H]2C[N@H+](C)CCN2C)CC1 ZINC000350047975 353470912 /nfs/dbraw/zinc/47/09/12/353470912.db2.gz HGYCVHAEFHMEPE-ZDUSSCGKSA-N 2 2 283.420 -0.421 20 0 CBADLP CC[NH+]1CCN(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC000350047975 353470915 /nfs/dbraw/zinc/47/09/15/353470915.db2.gz HGYCVHAEFHMEPE-ZDUSSCGKSA-N 2 2 283.420 -0.421 20 0 CBADLP C[N@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)C1(CO)CC1 ZINC000353020869 353518029 /nfs/dbraw/zinc/51/80/29/353518029.db2.gz BJMFLBSCQXKYCQ-UHFFFAOYSA-N 2 2 299.415 -0.330 20 0 CBADLP C[N@@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)C1(CO)CC1 ZINC000353020869 353518030 /nfs/dbraw/zinc/51/80/30/353518030.db2.gz BJMFLBSCQXKYCQ-UHFFFAOYSA-N 2 2 299.415 -0.330 20 0 CBADLP CC[N@H+]1C[C@H]([NH2+]CCS(=O)(=O)N(C)C)[C@@H](C)C1 ZINC000353096053 353521262 /nfs/dbraw/zinc/52/12/62/353521262.db2.gz QPSBWYBEOZSMMW-QWRGUYRKSA-N 2 2 263.407 -0.192 20 0 CBADLP CC[N@@H+]1C[C@H]([NH2+]CCS(=O)(=O)N(C)C)[C@@H](C)C1 ZINC000353096053 353521265 /nfs/dbraw/zinc/52/12/65/353521265.db2.gz QPSBWYBEOZSMMW-QWRGUYRKSA-N 2 2 263.407 -0.192 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](C)C[NH+]2CCOCC2)C1 ZINC000353908916 353534254 /nfs/dbraw/zinc/53/42/54/353534254.db2.gz LFNOYIOYPWKHEX-UONOGXRCSA-N 2 2 299.415 -0.208 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](C)C[NH+]2CCOCC2)C1 ZINC000353908916 353534257 /nfs/dbraw/zinc/53/42/57/353534257.db2.gz LFNOYIOYPWKHEX-UONOGXRCSA-N 2 2 299.415 -0.208 20 0 CBADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)[C@H]([NH3+])COC)CC1 ZINC000354074520 353542302 /nfs/dbraw/zinc/54/23/02/353542302.db2.gz VMQNDKSDNNXUOJ-QWHCGFSZSA-N 2 2 286.420 -0.650 20 0 CBADLP CC[N@H+]1CCN(C[C@@H](O)C[NH+]2CCOCC2)[C@H](C)C1 ZINC000352690868 353501738 /nfs/dbraw/zinc/50/17/38/353501738.db2.gz FWQFGCMRZDUBNY-KGLIPLIRSA-N 2 2 271.405 -0.295 20 0 CBADLP C[NH+]1CCC(O)(CNC(=O)NCCn2cc[nH+]c2)CC1 ZINC000355106499 353585444 /nfs/dbraw/zinc/58/54/44/353585444.db2.gz XJXPJTBCQHYLBO-UHFFFAOYSA-N 2 2 281.360 -0.361 20 0 CBADLP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000356757779 353599165 /nfs/dbraw/zinc/59/91/65/353599165.db2.gz AQNRYVRVWRAECE-MCIONIFRSA-N 2 2 297.399 -0.361 20 0 CBADLP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000356757779 353599169 /nfs/dbraw/zinc/59/91/69/353599169.db2.gz AQNRYVRVWRAECE-MCIONIFRSA-N 2 2 297.399 -0.361 20 0 CBADLP C[C@@H](O)CNc1cc(N2CCC([NH2+]CCO)CC2)nc[nH+]1 ZINC000354466892 353562218 /nfs/dbraw/zinc/56/22/18/353562218.db2.gz KMIXYXRCMARQCI-LLVKDONJSA-N 2 2 295.387 -0.180 20 0 CBADLP C[C@@H](O)CNc1cc(N2CCC([NH2+]CCO)CC2)[nH+]cn1 ZINC000354466892 353562221 /nfs/dbraw/zinc/56/22/21/353562221.db2.gz KMIXYXRCMARQCI-LLVKDONJSA-N 2 2 295.387 -0.180 20 0 CBADLP CC[NH+]1CCC([NH2+][C@@H](C)C(=O)NC(=O)NC)CC1 ZINC000354607071 353571767 /nfs/dbraw/zinc/57/17/67/353571767.db2.gz XAGMIULZDMEBEB-VIFPVBQESA-N 2 2 256.350 -0.096 20 0 CBADLP C[C@H](C[NH+](C)C)NC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000358495643 353648202 /nfs/dbraw/zinc/64/82/02/353648202.db2.gz INMQJLWDPVXJQP-LLVKDONJSA-N 2 2 299.419 -0.472 20 0 CBADLP CNS(=O)(=O)CCC[N@@H+]1CC[C@H](OC)C[C@H]1C[NH3+] ZINC000359040248 353651650 /nfs/dbraw/zinc/65/16/50/353651650.db2.gz IAWLDCIPLMVAOL-QWRGUYRKSA-N 2 2 279.406 -0.636 20 0 CBADLP CNS(=O)(=O)CCC[N@H+]1CC[C@H](OC)C[C@H]1C[NH3+] ZINC000359040248 353651652 /nfs/dbraw/zinc/65/16/52/353651652.db2.gz IAWLDCIPLMVAOL-QWRGUYRKSA-N 2 2 279.406 -0.636 20 0 CBADLP C[N@@H+]1CC[C@@](O)(CNC(=O)NCCn2cc[nH+]c2)C1 ZINC000357734199 353604610 /nfs/dbraw/zinc/60/46/10/353604610.db2.gz VUNSUVNOZGCBNA-GFCCVEGCSA-N 2 2 267.333 -0.751 20 0 CBADLP C[N@H+]1CC[C@@](O)(CNC(=O)NCCn2cc[nH+]c2)C1 ZINC000357734199 353604613 /nfs/dbraw/zinc/60/46/13/353604613.db2.gz VUNSUVNOZGCBNA-GFCCVEGCSA-N 2 2 267.333 -0.751 20 0 CBADLP O=C(NCCc1cn2ccccc2[nH+]1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000357930936 353615267 /nfs/dbraw/zinc/61/52/67/353615267.db2.gz WAZOBMUYWBCNPB-NWDGAFQWSA-N 2 2 274.324 -0.284 20 0 CBADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000362677003 353667590 /nfs/dbraw/zinc/66/75/90/353667590.db2.gz WPOMUVAIULHBJR-ZIAGYGMSSA-N 3 2 280.416 -0.118 20 0 CBADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000362677003 353667594 /nfs/dbraw/zinc/66/75/94/353667594.db2.gz WPOMUVAIULHBJR-ZIAGYGMSSA-N 3 2 280.416 -0.118 20 0 CBADLP CS(=O)(=O)NCC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363118203 353669166 /nfs/dbraw/zinc/66/91/66/353669166.db2.gz UIQCIBBQGPIDML-JHJVBQTASA-N 2 2 287.429 -0.048 20 0 CBADLP CS(=O)(=O)NCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363118203 353669169 /nfs/dbraw/zinc/66/91/69/353669169.db2.gz UIQCIBBQGPIDML-JHJVBQTASA-N 2 2 287.429 -0.048 20 0 CBADLP CS(=O)(=O)NCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363118203 353669172 /nfs/dbraw/zinc/66/91/72/353669172.db2.gz UIQCIBBQGPIDML-JHJVBQTASA-N 2 2 287.429 -0.048 20 0 CBADLP CS(=O)(=O)NCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363118203 353669175 /nfs/dbraw/zinc/66/91/75/353669175.db2.gz UIQCIBBQGPIDML-JHJVBQTASA-N 2 2 287.429 -0.048 20 0 CBADLP O=C(N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)[C@H]1C[NH2+]CCO1 ZINC000364560245 353672204 /nfs/dbraw/zinc/67/22/04/353672204.db2.gz KGTXOJFZVNWGNC-MELADBBJSA-N 2 2 297.399 -0.266 20 0 CBADLP C[C@@H](C(=O)NC[C@]1([NH+]2CCOCC2)CCCOC1)[C@H](C)[NH3+] ZINC000365185138 353673645 /nfs/dbraw/zinc/67/36/45/353673645.db2.gz UHMWPGZGYYSVDY-VNHYZAJKSA-N 2 2 299.415 -0.033 20 0 CBADLP CC[NH+](CC)CCC[N@@H+]1CCCN(S(N)(=O)=O)CC1 ZINC000365185576 353673704 /nfs/dbraw/zinc/67/37/04/353673704.db2.gz VKWSJWKDKXGGFD-UHFFFAOYSA-N 2 2 292.449 -0.071 20 0 CBADLP CC[NH+](CC)CCC[N@H+]1CCCN(S(N)(=O)=O)CC1 ZINC000365185576 353673707 /nfs/dbraw/zinc/67/37/07/353673707.db2.gz VKWSJWKDKXGGFD-UHFFFAOYSA-N 2 2 292.449 -0.071 20 0 CBADLP C[C@@H](C[NH3+])C(=O)NC[C@]1([NH+]2CCOCC2)CCCOC1 ZINC000367644682 353683204 /nfs/dbraw/zinc/68/32/04/353683204.db2.gz USALPUDYQXUYQQ-GXTWGEPZSA-N 2 2 285.388 -0.421 20 0 CBADLP CNS(=O)(=O)[C@@H]1CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000371199722 353697200 /nfs/dbraw/zinc/69/72/00/353697200.db2.gz WHCIMRDHSMUYKQ-LLVKDONJSA-N 2 2 272.374 -0.103 20 0 CBADLP CNS(=O)(=O)[C@@H]1CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000371199722 353697201 /nfs/dbraw/zinc/69/72/01/353697201.db2.gz WHCIMRDHSMUYKQ-LLVKDONJSA-N 2 2 272.374 -0.103 20 0 CBADLP CN(CCO)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371314036 353699596 /nfs/dbraw/zinc/69/95/96/353699596.db2.gz PPESMCOCNYIVTI-LBPRGKRZSA-N 2 2 284.404 -0.211 20 0 CBADLP CN(CCO)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371314036 353699599 /nfs/dbraw/zinc/69/95/99/353699599.db2.gz PPESMCOCNYIVTI-LBPRGKRZSA-N 2 2 284.404 -0.211 20 0 CBADLP COC[C@H](O)C[NH+]1CCC(N2CC[N@H+](C)CC2=O)CC1 ZINC000371638208 353705245 /nfs/dbraw/zinc/70/52/45/353705245.db2.gz PIJQOTJPBZRVIT-CYBMUJFWSA-N 2 2 285.388 -0.768 20 0 CBADLP COC[C@H](O)C[NH+]1CCC(N2CC[N@@H+](C)CC2=O)CC1 ZINC000371638208 353705247 /nfs/dbraw/zinc/70/52/47/353705247.db2.gz PIJQOTJPBZRVIT-CYBMUJFWSA-N 2 2 285.388 -0.768 20 0 CBADLP O=C(NC[C@H](O)C[NH+]1CCOCC1)[C@@H]1C[NH+]2CCC1CC2 ZINC000372285314 353713731 /nfs/dbraw/zinc/71/37/31/353713731.db2.gz LHDAWIRIUCLNRK-UONOGXRCSA-N 2 2 297.399 -0.863 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCN3C(=O)OC[C@@H]3C2)CC1 ZINC000374912443 353750584 /nfs/dbraw/zinc/75/05/84/353750584.db2.gz MLRVHPHEIRYRNJ-LBPRGKRZSA-N 2 2 296.371 -0.713 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCN3C(=O)OC[C@@H]3C2)CC1 ZINC000374912443 353750589 /nfs/dbraw/zinc/75/05/89/353750589.db2.gz MLRVHPHEIRYRNJ-LBPRGKRZSA-N 2 2 296.371 -0.713 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCO[C@]3(CCCOC3)C2)CC1 ZINC000375654283 353765279 /nfs/dbraw/zinc/76/52/79/353765279.db2.gz SXTOVUJSABHMPK-OAHLLOKOSA-N 2 2 297.399 -0.358 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CCO[C@]3(CCCOC3)C2)CC1 ZINC000375654283 353765281 /nfs/dbraw/zinc/76/52/81/353765281.db2.gz SXTOVUJSABHMPK-OAHLLOKOSA-N 2 2 297.399 -0.358 20 0 CBADLP COC(=O)[C@H](C)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000378430114 353781156 /nfs/dbraw/zinc/78/11/56/353781156.db2.gz MTHSCEHVVLGRGK-LBPRGKRZSA-N 2 2 286.372 -0.293 20 0 CBADLP COC(=O)[C@]1(C)C[N@H+](CC(=O)N2CC[NH+](C)CC2)C[C@H]1C ZINC000374377115 353744352 /nfs/dbraw/zinc/74/43/52/353744352.db2.gz ZGOBMVUZOBNORM-IUODEOHRSA-N 2 2 297.399 -0.109 20 0 CBADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CCN(S(C)(=O)=O)C1 ZINC000400145323 353799170 /nfs/dbraw/zinc/79/91/70/353799170.db2.gz NIQNMTZDXGBHPL-IJLUTSLNSA-N 2 2 291.417 -0.623 20 0 CBADLP COC1(CO)CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000401739174 353803551 /nfs/dbraw/zinc/80/35/51/353803551.db2.gz FGPJXYFMJXKNRB-UHFFFAOYSA-N 2 2 285.388 -0.766 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(F)(F)[C@@H](CO)C1 ZINC000404042123 353805384 /nfs/dbraw/zinc/80/53/84/353805384.db2.gz VSARFGHRYJFPKO-NEPJUHHUSA-N 2 2 296.358 -0.125 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC(F)(F)[C@@H](CO)C1 ZINC000404042123 353805387 /nfs/dbraw/zinc/80/53/87/353805387.db2.gz VSARFGHRYJFPKO-NEPJUHHUSA-N 2 2 296.358 -0.125 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000404042123 353805390 /nfs/dbraw/zinc/80/53/90/353805390.db2.gz VSARFGHRYJFPKO-NEPJUHHUSA-N 2 2 296.358 -0.125 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000404042123 353805393 /nfs/dbraw/zinc/80/53/93/353805393.db2.gz VSARFGHRYJFPKO-NEPJUHHUSA-N 2 2 296.358 -0.125 20 0 CBADLP C[C@@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@@H](CO)O1 ZINC000407983180 353817035 /nfs/dbraw/zinc/81/70/35/353817035.db2.gz OCRAVQBYCJCKHY-OLZOCXBDSA-N 2 2 285.388 -0.768 20 0 CBADLP C[C@@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@@H](CO)O1 ZINC000407983180 353817038 /nfs/dbraw/zinc/81/70/38/353817038.db2.gz OCRAVQBYCJCKHY-OLZOCXBDSA-N 2 2 285.388 -0.768 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H](NC(N)=O)C2)CC1 ZINC000408025792 353827915 /nfs/dbraw/zinc/82/79/15/353827915.db2.gz UHYZOQRHBPVYPV-NWDGAFQWSA-N 2 2 297.403 -0.718 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H](NC(N)=O)C2)CC1 ZINC000408025792 353827916 /nfs/dbraw/zinc/82/79/16/353827916.db2.gz UHYZOQRHBPVYPV-NWDGAFQWSA-N 2 2 297.403 -0.718 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)N2CC[NH+](C[C@@H](C)O)C[C@H]2C)[N@H+](C)C1 ZINC000408056049 353839338 /nfs/dbraw/zinc/83/93/38/353839338.db2.gz CDJLJPDDZYZTJX-MQYQWHSLSA-N 2 2 299.415 -0.381 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)N2CC[NH+](C[C@@H](C)O)C[C@H]2C)[N@@H+](C)C1 ZINC000408056049 353839341 /nfs/dbraw/zinc/83/93/41/353839341.db2.gz CDJLJPDDZYZTJX-MQYQWHSLSA-N 2 2 299.415 -0.381 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)[NH+](C)C1 ZINC000408056049 353839344 /nfs/dbraw/zinc/83/93/44/353839344.db2.gz CDJLJPDDZYZTJX-MQYQWHSLSA-N 2 2 299.415 -0.381 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](O)C(C)(C)C1 ZINC000387842030 353788821 /nfs/dbraw/zinc/78/88/21/353788821.db2.gz GHRPWXGZBCQGEY-NWDGAFQWSA-N 2 2 260.378 -0.372 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](O)C(C)(C)C1 ZINC000387842030 353788824 /nfs/dbraw/zinc/78/88/24/353788824.db2.gz GHRPWXGZBCQGEY-NWDGAFQWSA-N 2 2 260.378 -0.372 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000387842030 353788826 /nfs/dbraw/zinc/78/88/26/353788826.db2.gz GHRPWXGZBCQGEY-NWDGAFQWSA-N 2 2 260.378 -0.372 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](O)C(C)(C)C1 ZINC000387842030 353788829 /nfs/dbraw/zinc/78/88/29/353788829.db2.gz GHRPWXGZBCQGEY-NWDGAFQWSA-N 2 2 260.378 -0.372 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@](C)(C(N)=O)C(C)C ZINC000388609889 353789525 /nfs/dbraw/zinc/78/95/25/353789525.db2.gz QPPUQKIMKQWCMN-AAEUAGOBSA-N 2 2 275.393 -0.585 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@](C)(C(N)=O)C(C)C ZINC000388609889 353789528 /nfs/dbraw/zinc/78/95/28/353789528.db2.gz QPPUQKIMKQWCMN-AAEUAGOBSA-N 2 2 275.393 -0.585 20 0 CBADLP CC(C)[N@@H+](C)C[C@H](C)NC[C@H](O)C[NH+]1CCOCC1 ZINC000388279544 353789899 /nfs/dbraw/zinc/78/98/99/353789899.db2.gz QFBKTSCJAQUVOZ-KBPBESRZSA-N 2 2 273.421 -0.002 20 0 CBADLP CC(C)[N@H+](C)C[C@H](C)NC[C@H](O)C[NH+]1CCOCC1 ZINC000388279544 353789900 /nfs/dbraw/zinc/78/99/00/353789900.db2.gz QFBKTSCJAQUVOZ-KBPBESRZSA-N 2 2 273.421 -0.002 20 0 CBADLP O=C(C[NH2+]C[C@H](O)C[NH+]1CCCC1)NCC1CC1 ZINC000393027771 353792545 /nfs/dbraw/zinc/79/25/45/353792545.db2.gz GTHGWAJNQFYKHZ-LBPRGKRZSA-N 2 2 255.362 -0.441 20 0 CBADLP CC[C@](C)([NH3+])c1cn(C[C@H](O)C[NH+]2CCOCC2)nn1 ZINC000395262277 353795369 /nfs/dbraw/zinc/79/53/69/353795369.db2.gz JPLGVMDMOWTLFW-YPMHNXCESA-N 2 2 283.376 -0.445 20 0 CBADLP C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000408422979 353915174 /nfs/dbraw/zinc/91/51/74/353915174.db2.gz VMOFKTZUFDGQCX-NWDGAFQWSA-N 2 2 278.356 -0.108 20 0 CBADLP C[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000408422979 353915177 /nfs/dbraw/zinc/91/51/77/353915177.db2.gz VMOFKTZUFDGQCX-NWDGAFQWSA-N 2 2 278.356 -0.108 20 0 CBADLP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000410430276 353928521 /nfs/dbraw/zinc/92/85/21/353928521.db2.gz FCQIOAUORGGFTR-UHFFFAOYSA-N 2 2 282.388 -0.685 20 0 CBADLP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000410477405 353929397 /nfs/dbraw/zinc/92/93/97/353929397.db2.gz UAPHAAPDJGGFMA-LBPRGKRZSA-N 2 2 282.388 -0.687 20 0 CBADLP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000410477405 353929401 /nfs/dbraw/zinc/92/94/01/353929401.db2.gz UAPHAAPDJGGFMA-LBPRGKRZSA-N 2 2 282.388 -0.687 20 0 CBADLP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N2CC[NH+](C)CC2)C[C@@H]1C ZINC000410714300 353935602 /nfs/dbraw/zinc/93/56/02/353935602.db2.gz SVKHYRKGRLUPDV-QWHCGFSZSA-N 2 2 296.415 -0.299 20 0 CBADLP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N2CC[NH+](C)CC2)C[C@@H]1C ZINC000410714300 353935603 /nfs/dbraw/zinc/93/56/03/353935603.db2.gz SVKHYRKGRLUPDV-QWHCGFSZSA-N 2 2 296.415 -0.299 20 0 CBADLP C[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)CC1 ZINC000410991376 353939564 /nfs/dbraw/zinc/93/95/64/353939564.db2.gz VACKMNGTSNLSGW-QWHCGFSZSA-N 2 2 294.399 -0.687 20 0 CBADLP C[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)CC1 ZINC000410991376 353939566 /nfs/dbraw/zinc/93/95/66/353939566.db2.gz VACKMNGTSNLSGW-QWHCGFSZSA-N 2 2 294.399 -0.687 20 0 CBADLP COC(=O)[C@@H]1CN(Cc2[nH+]ccn2C)CC[N@H+](C)C1 ZINC000411913293 353941958 /nfs/dbraw/zinc/94/19/58/353941958.db2.gz WNUQEWZWFPQNBK-NSHDSACASA-N 2 2 266.345 -0.043 20 0 CBADLP COC(=O)[C@@H]1CN(Cc2[nH+]ccn2C)CC[N@@H+](C)C1 ZINC000411913293 353941962 /nfs/dbraw/zinc/94/19/62/353941962.db2.gz WNUQEWZWFPQNBK-NSHDSACASA-N 2 2 266.345 -0.043 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[NH+](CCO)C[C@H]2C)C1 ZINC000416306803 353967562 /nfs/dbraw/zinc/96/75/62/353967562.db2.gz KCWBLFCNDKQEMX-MCIONIFRSA-N 2 2 299.415 -0.379 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[NH+](CCO)C[C@H]2C)C1 ZINC000416306803 353967565 /nfs/dbraw/zinc/96/75/65/353967565.db2.gz KCWBLFCNDKQEMX-MCIONIFRSA-N 2 2 299.415 -0.379 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H](C)[N@H+](CCO)C[C@H]2C)C1 ZINC000416306803 353967567 /nfs/dbraw/zinc/96/75/67/353967567.db2.gz KCWBLFCNDKQEMX-MCIONIFRSA-N 2 2 299.415 -0.379 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)C1 ZINC000416306803 353967570 /nfs/dbraw/zinc/96/75/70/353967570.db2.gz KCWBLFCNDKQEMX-MCIONIFRSA-N 2 2 299.415 -0.379 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@H](C)[NH+](CCO)C[C@@H]2C)C1 ZINC000416306802 353967883 /nfs/dbraw/zinc/96/78/83/353967883.db2.gz KCWBLFCNDKQEMX-IHRRRGAJSA-N 2 2 299.415 -0.379 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)N2C[C@H](C)[NH+](CCO)C[C@@H]2C)C1 ZINC000416306802 353967885 /nfs/dbraw/zinc/96/78/85/353967885.db2.gz KCWBLFCNDKQEMX-IHRRRGAJSA-N 2 2 299.415 -0.379 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)N2C[C@H](C)[N@H+](CCO)C[C@@H]2C)C1 ZINC000416306802 353967888 /nfs/dbraw/zinc/96/78/88/353967888.db2.gz KCWBLFCNDKQEMX-IHRRRGAJSA-N 2 2 299.415 -0.379 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)N2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)C1 ZINC000416306802 353967891 /nfs/dbraw/zinc/96/78/91/353967891.db2.gz KCWBLFCNDKQEMX-IHRRRGAJSA-N 2 2 299.415 -0.379 20 0 CBADLP C[NH2+]C[C@@H]1CCCN1C(=O)NCC[NH+]1CCOCC1 ZINC000416431519 353968980 /nfs/dbraw/zinc/96/89/80/353968980.db2.gz IDLVQXDOWSFZEL-LBPRGKRZSA-N 2 2 270.377 -0.288 20 0 CBADLP CC[NH2+][C@H](C)CNC(=O)NCC[NH+]1CCOCC1 ZINC000416431647 353969131 /nfs/dbraw/zinc/96/91/31/353969131.db2.gz BZIKVVRAUXGQAV-LLVKDONJSA-N 2 2 258.366 -0.384 20 0 CBADLP C[C@@H]1[NH2+]CCN(C(=O)NCC[NH+]2CCOCC2)[C@H]1C ZINC000416441415 353969871 /nfs/dbraw/zinc/96/98/71/353969871.db2.gz VHDLPGMHYXTPNK-RYUDHWBXSA-N 2 2 270.377 -0.290 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@H]1CCC[NH2+]1 ZINC000417015353 353974667 /nfs/dbraw/zinc/97/46/67/353974667.db2.gz BOSUJGWRDFXEAS-VXGBXAGGSA-N 2 2 270.377 -0.242 20 0 CBADLP C[NH2+]C[C@@H](C)CNC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000417503967 353978419 /nfs/dbraw/zinc/97/84/19/353978419.db2.gz DSVCAHFUZKWCKG-VXGBXAGGSA-N 2 2 272.393 -0.138 20 0 CBADLP C[NH2+]C[C@@H](C)CNC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000417503967 353978422 /nfs/dbraw/zinc/97/84/22/353978422.db2.gz DSVCAHFUZKWCKG-VXGBXAGGSA-N 2 2 272.393 -0.138 20 0 CBADLP CC[C@H]([NH3+])CNC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000417521037 353978776 /nfs/dbraw/zinc/97/87/76/353978776.db2.gz YDXSNSROEGLPTD-QWRGUYRKSA-N 2 2 258.366 -0.256 20 0 CBADLP CC[C@H]([NH3+])CNC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000417521037 353978778 /nfs/dbraw/zinc/97/87/78/353978778.db2.gz YDXSNSROEGLPTD-QWRGUYRKSA-N 2 2 258.366 -0.256 20 0 CBADLP CC[NH2+]CCNC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000417527516 353978934 /nfs/dbraw/zinc/97/89/34/353978934.db2.gz OBQPMHJJYGJVTM-NSHDSACASA-N 2 2 258.366 -0.384 20 0 CBADLP CC[NH2+]CCNC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000417527516 353978935 /nfs/dbraw/zinc/97/89/35/353978935.db2.gz OBQPMHJJYGJVTM-NSHDSACASA-N 2 2 258.366 -0.384 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NCC(F)(F)C[NH3+] ZINC000417521068 353978958 /nfs/dbraw/zinc/97/89/58/353978958.db2.gz YIWKCJPWNFLDLJ-SECBINFHSA-N 2 2 280.319 -0.400 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NCC(F)(F)C[NH3+] ZINC000417521068 353978961 /nfs/dbraw/zinc/97/89/61/353978961.db2.gz YIWKCJPWNFLDLJ-SECBINFHSA-N 2 2 280.319 -0.400 20 0 CBADLP C[C@H]([C@H](C)NC(=O)N1CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000417527901 353979034 /nfs/dbraw/zinc/97/90/34/353979034.db2.gz VVJSFCFJDOXYTJ-NWDGAFQWSA-N 2 2 270.377 -0.290 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)NCC(C)(C)[NH3+] ZINC000417530870 353979060 /nfs/dbraw/zinc/97/90/60/353979060.db2.gz SQGQOVVLZPNJDT-JTQLQIEISA-N 2 2 258.366 -0.256 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)NCC(C)(C)[NH3+] ZINC000417530870 353979061 /nfs/dbraw/zinc/97/90/61/353979061.db2.gz SQGQOVVLZPNJDT-JTQLQIEISA-N 2 2 258.366 -0.256 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N[C@H](C[NH3+])C1CC1 ZINC000417533735 353979870 /nfs/dbraw/zinc/97/98/70/353979870.db2.gz YEUYVTAGDDJNFQ-CMPLNLGQSA-N 2 2 270.377 -0.256 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)N[C@H](C[NH3+])C1CC1 ZINC000417533735 353979873 /nfs/dbraw/zinc/97/98/73/353979873.db2.gz YEUYVTAGDDJNFQ-CMPLNLGQSA-N 2 2 270.377 -0.256 20 0 CBADLP CC(C)([NH3+])CNC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000418114241 353987908 /nfs/dbraw/zinc/98/79/08/353987908.db2.gz LKZSRJOWEBZDJU-UHFFFAOYSA-N 2 2 270.377 -0.112 20 0 CBADLP [NH3+]CC(F)(F)CNC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000418201022 353988199 /nfs/dbraw/zinc/98/81/99/353988199.db2.gz ATCVTPZBCLXIKJ-SNVBAGLBSA-N 2 2 292.330 -0.257 20 0 CBADLP [NH3+]CC(F)(F)CNC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000418201022 353988203 /nfs/dbraw/zinc/98/82/03/353988203.db2.gz ATCVTPZBCLXIKJ-SNVBAGLBSA-N 2 2 292.330 -0.257 20 0 CBADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)NCC[NH3+])CC1 ZINC000418297772 353992013 /nfs/dbraw/zinc/99/20/13/353992013.db2.gz OHRZDYRNCNTJPK-UHFFFAOYSA-N 2 2 285.392 -0.859 20 0 CBADLP CC[NH2+]CCNC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000418328113 353994208 /nfs/dbraw/zinc/99/42/08/353994208.db2.gz RNWNWQWNQHOUGY-GFCCVEGCSA-N 2 2 272.393 -0.042 20 0 CBADLP C[C@H](C[NH3+])CNC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000418462740 353998241 /nfs/dbraw/zinc/99/82/41/353998241.db2.gz BSKXVBLBFZYOFH-NEPJUHHUSA-N 2 2 272.393 -0.057 20 0 CBADLP CC[C@H]1C[N@H+](CCNC(=O)N[C@H](C)C[NH3+])CCO1 ZINC000418528947 354002077 /nfs/dbraw/zinc/00/20/77/354002077.db2.gz SURIRBKEACUHCG-MNOVXSKESA-N 2 2 258.366 -0.256 20 0 CBADLP CC[C@H]1C[N@@H+](CCNC(=O)N[C@H](C)C[NH3+])CCO1 ZINC000418528947 354002082 /nfs/dbraw/zinc/00/20/82/354002082.db2.gz SURIRBKEACUHCG-MNOVXSKESA-N 2 2 258.366 -0.256 20 0 CBADLP C[C@@H](CC[NH3+])NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000418535166 354002310 /nfs/dbraw/zinc/00/23/10/354002310.db2.gz YMTQDHDVWWBCPD-SDDRHHMPSA-N 2 2 270.377 -0.114 20 0 CBADLP C[C@@H](CC[NH3+])NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000418535166 354002313 /nfs/dbraw/zinc/00/23/13/354002313.db2.gz YMTQDHDVWWBCPD-SDDRHHMPSA-N 2 2 270.377 -0.114 20 0 CBADLP CC[NH2+][C@H](C)CNC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000418602469 354004544 /nfs/dbraw/zinc/00/45/44/354004544.db2.gz MPMQYTIZIRHVLJ-LLVKDONJSA-N 2 2 299.419 -0.425 20 0 CBADLP CC[C@@H]([NH3+])CNC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000418737521 354005968 /nfs/dbraw/zinc/00/59/68/354005968.db2.gz VSPHZHJYYMWUNG-UTUOFQBUSA-N 2 2 270.377 -0.114 20 0 CBADLP CC[C@@H]([NH3+])CNC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000418737521 354005971 /nfs/dbraw/zinc/00/59/71/354005971.db2.gz VSPHZHJYYMWUNG-UTUOFQBUSA-N 2 2 270.377 -0.114 20 0 CBADLP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[NH2+]CC1)c1ccco1 ZINC000418827807 354010597 /nfs/dbraw/zinc/01/05/97/354010597.db2.gz HDAIURAOMGSWOC-LLVKDONJSA-N 2 2 294.355 -0.570 20 0 CBADLP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCn1cc[nH+]c1 ZINC000418891001 354014200 /nfs/dbraw/zinc/01/42/00/354014200.db2.gz SWTDUBIQSDZQBN-GFCCVEGCSA-N 2 2 293.371 -0.400 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000419681108 354069426 /nfs/dbraw/zinc/06/94/26/354069426.db2.gz IBEPIUYHMICZJR-WOPDTQHZSA-N 2 2 293.371 -0.403 20 0 CBADLP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000419727396 354072991 /nfs/dbraw/zinc/07/29/91/354072991.db2.gz WJPZSLIWVVRYNW-NWDGAFQWSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@H]1CN(C(=O)C(=O)NCCCn2cc[nH+]c2)C[C@H](C)[NH2+]1 ZINC000419721487 354073168 /nfs/dbraw/zinc/07/31/68/354073168.db2.gz KBJNGUFSHIVCPL-RYUDHWBXSA-N 2 2 293.371 -0.402 20 0 CBADLP [NH3+]CCNC(=O)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000419812397 354079441 /nfs/dbraw/zinc/07/94/41/354079441.db2.gz DZSODDQVIHCRPG-UHFFFAOYSA-N 2 2 290.367 -0.594 20 0 CBADLP O=C(NCCC[NH2+]C1CC1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000419850022 354084624 /nfs/dbraw/zinc/08/46/24/354084624.db2.gz DPPGVRHPFBTPSD-UHFFFAOYSA-N 2 2 294.399 -0.449 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N[C@H](C[NH3+])CC(C)C)CC1 ZINC000419952995 354096306 /nfs/dbraw/zinc/09/63/06/354096306.db2.gz KWEYUXWLQWJSDN-LBPRGKRZSA-N 2 2 284.404 -0.360 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000420009625 354102025 /nfs/dbraw/zinc/10/20/25/354102025.db2.gz DCDBPKNDDSUYKK-OLZOCXBDSA-N 2 2 296.415 -0.216 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)NC[C@@H]([NH3+])C(C)C)CC1 ZINC000420013961 354102077 /nfs/dbraw/zinc/10/20/77/354102077.db2.gz KCAIIFFEVLTHSK-LLVKDONJSA-N 2 2 270.377 -0.750 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)CC1 ZINC000420087259 354108354 /nfs/dbraw/zinc/10/83/54/354108354.db2.gz BIHVCJQRXLEPFF-OAHLLOKOSA-N 2 2 296.415 -0.344 20 0 CBADLP CCC([NH3+])(CC)CNC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000420079871 354108654 /nfs/dbraw/zinc/10/86/54/354108654.db2.gz JGZHSMNRDCTJEN-UHFFFAOYSA-N 2 2 296.415 -0.073 20 0 CBADLP CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000420133061 354110841 /nfs/dbraw/zinc/11/08/41/354110841.db2.gz YNNRIBPLPICJKU-GFCCVEGCSA-N 2 2 296.415 -0.073 20 0 CBADLP CN1CCN(c2cc(N3CCC[C@@H]([NH3+])C3)nc[nH+]2)CC1=O ZINC000420238634 354119852 /nfs/dbraw/zinc/11/98/52/354119852.db2.gz NVENCOQKTFHGSE-LLVKDONJSA-N 2 2 290.371 -0.318 20 0 CBADLP COC(=O)CC[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000420306382 354121528 /nfs/dbraw/zinc/12/15/28/354121528.db2.gz KVZFMQDIGQAVHK-LLVKDONJSA-N 2 2 269.345 -0.554 20 0 CBADLP COC(=O)CC[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000420306382 354121532 /nfs/dbraw/zinc/12/15/32/354121532.db2.gz KVZFMQDIGQAVHK-LLVKDONJSA-N 2 2 269.345 -0.554 20 0 CBADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420309643 354122483 /nfs/dbraw/zinc/12/24/83/354122483.db2.gz OYEZOYFQLLKQBE-ZIAGYGMSSA-N 3 2 280.416 -0.118 20 0 CBADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420309643 354122488 /nfs/dbraw/zinc/12/24/88/354122488.db2.gz OYEZOYFQLLKQBE-ZIAGYGMSSA-N 3 2 280.416 -0.118 20 0 CBADLP CCOC(=O)[C@H](C)[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000420307092 354123038 /nfs/dbraw/zinc/12/30/38/354123038.db2.gz LSXHVCYIGCJZHW-NWDGAFQWSA-N 2 2 283.372 -0.166 20 0 CBADLP CCOC(=O)[C@H](C)[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000420307092 354123039 /nfs/dbraw/zinc/12/30/39/354123039.db2.gz LSXHVCYIGCJZHW-NWDGAFQWSA-N 2 2 283.372 -0.166 20 0 CBADLP Cn1cc(S(=O)(=O)NCC[N@H+](C)C2CC([NH3+])C2)cn1 ZINC000420324685 354123104 /nfs/dbraw/zinc/12/31/04/354123104.db2.gz CIPOYOITVAPNPF-UHFFFAOYSA-N 2 2 287.389 -0.880 20 0 CBADLP Cn1cc(S(=O)(=O)NCC[N@@H+](C)C2CC([NH3+])C2)cn1 ZINC000420324685 354123105 /nfs/dbraw/zinc/12/31/05/354123105.db2.gz CIPOYOITVAPNPF-UHFFFAOYSA-N 2 2 287.389 -0.880 20 0 CBADLP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)[C@H](C[NH3+])C1CC1 ZINC000420310821 354123107 /nfs/dbraw/zinc/12/31/07/354123107.db2.gz GWZQBFDBNGEGMY-CYBMUJFWSA-N 3 2 268.405 -0.180 20 0 CBADLP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)[C@H](C[NH3+])C1CC1 ZINC000420310821 354123108 /nfs/dbraw/zinc/12/31/08/354123108.db2.gz GWZQBFDBNGEGMY-CYBMUJFWSA-N 3 2 268.405 -0.180 20 0 CBADLP CNS(=O)(=O)CCC[N@@H+]1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000420328766 354124566 /nfs/dbraw/zinc/12/45/66/354124566.db2.gz FRCKSVIMNYOQDW-WDEREUQCSA-N 2 2 263.407 -0.015 20 0 CBADLP CNS(=O)(=O)CCC[N@H+]1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000420328766 354124568 /nfs/dbraw/zinc/12/45/68/354124568.db2.gz FRCKSVIMNYOQDW-WDEREUQCSA-N 2 2 263.407 -0.015 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000420367141 354125260 /nfs/dbraw/zinc/12/52/60/354125260.db2.gz MPDCBPICJXPKFM-TYNCELHUSA-N 2 2 298.431 -0.053 20 0 CBADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CC(=O)NC(=O)NC1CC1 ZINC000420372244 354126528 /nfs/dbraw/zinc/12/65/28/354126528.db2.gz QDPWAVZTKYSLTP-KBVBSXBZSA-N 2 2 268.361 -0.049 20 0 CBADLP CCS(=O)(=O)NCC[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000420373584 354126600 /nfs/dbraw/zinc/12/66/00/354126600.db2.gz RJRCMSRABHYEDD-HBNTYKKESA-N 2 2 263.407 -0.098 20 0 CBADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000423201972 354165810 /nfs/dbraw/zinc/16/58/10/354165810.db2.gz JVHUQFIEZADJLS-OCCSQVGLSA-N 3 2 252.406 -0.036 20 0 CBADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000423201972 354165813 /nfs/dbraw/zinc/16/58/13/354165813.db2.gz JVHUQFIEZADJLS-OCCSQVGLSA-N 3 2 252.406 -0.036 20 0 CBADLP C[C@H]1CN(C(=O)C(=O)N2CC[NH+](C3CCC3)CC2)CC[NH2+]1 ZINC000423298818 354166838 /nfs/dbraw/zinc/16/68/38/354166838.db2.gz AQVIAWCCVSVPJA-LBPRGKRZSA-N 2 2 294.399 -0.497 20 0 CBADLP CCOCC[NH+]1CCN(C(=O)C2(C)C[NH2+]C2)CC1 ZINC000423313699 354167973 /nfs/dbraw/zinc/16/79/73/354167973.db2.gz GBHZKHQAUNATDW-UHFFFAOYSA-N 2 2 255.362 -0.223 20 0 CBADLP COC(=O)C[C@H]([NH3+])C(=O)N1CC[NH+](CC(C)C)CC1 ZINC000423314034 354168077 /nfs/dbraw/zinc/16/80/77/354168077.db2.gz XXEFAXUEOWSVBP-NSHDSACASA-N 2 2 271.361 -0.323 20 0 CBADLP COC[C@]1(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)CC[NH2+]C1 ZINC000423374134 354172076 /nfs/dbraw/zinc/17/20/76/354172076.db2.gz HUXFXBJLVNPNLS-IPYPFGDCSA-N 2 2 299.415 -0.162 20 0 CBADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N[C@H]1CC[NH2+]C1 ZINC000422748540 354152607 /nfs/dbraw/zinc/15/26/07/354152607.db2.gz UYYUMOMKIUPOCY-RYUDHWBXSA-N 2 2 255.362 -0.035 20 0 CBADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N[C@H]1CC[NH2+]C1 ZINC000422748540 354152611 /nfs/dbraw/zinc/15/26/11/354152611.db2.gz UYYUMOMKIUPOCY-RYUDHWBXSA-N 2 2 255.362 -0.035 20 0 CBADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000422748538 354152789 /nfs/dbraw/zinc/15/27/89/354152789.db2.gz UYYUMOMKIUPOCY-NEPJUHHUSA-N 2 2 255.362 -0.035 20 0 CBADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000422748538 354152792 /nfs/dbraw/zinc/15/27/92/354152792.db2.gz UYYUMOMKIUPOCY-NEPJUHHUSA-N 2 2 255.362 -0.035 20 0 CBADLP CCOC(=O)[C@H]1[NH2+]CC[C@@H]1NCC[N@H+](C)CCOC ZINC000422906268 354157420 /nfs/dbraw/zinc/15/74/20/354157420.db2.gz JKXDCRZLSCFFEY-RYUDHWBXSA-N 2 2 273.377 -0.552 20 0 CBADLP CCOC(=O)[C@H]1[NH2+]CC[C@@H]1NCC[N@@H+](C)CCOC ZINC000422906268 354157421 /nfs/dbraw/zinc/15/74/21/354157421.db2.gz JKXDCRZLSCFFEY-RYUDHWBXSA-N 2 2 273.377 -0.552 20 0 CBADLP COCCN(C)CC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422903549 354157465 /nfs/dbraw/zinc/15/74/65/354157465.db2.gz FPCLLCHNPNIDGE-KGLIPLIRSA-N 2 2 271.405 -0.079 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)CC1 ZINC000422978904 354159322 /nfs/dbraw/zinc/15/93/22/354159322.db2.gz KWIAEHGTRHOVEJ-TXEJJXNPSA-N 2 2 282.388 -0.641 20 0 CBADLP [NH3+]C[C@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CCO1 ZINC000423535581 354179764 /nfs/dbraw/zinc/17/97/64/354179764.db2.gz DLBYVMJLWMWFOE-KBPBESRZSA-N 2 2 297.399 -0.327 20 0 CBADLP [NH3+]C[C@H]1CN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CCO1 ZINC000423535581 354179767 /nfs/dbraw/zinc/17/97/67/354179767.db2.gz DLBYVMJLWMWFOE-KBPBESRZSA-N 2 2 297.399 -0.327 20 0 CBADLP C[C@H](C[NH3+])NC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000423536232 354179809 /nfs/dbraw/zinc/17/98/09/354179809.db2.gz HEDGEEZWYSWTOA-PWSUYJOCSA-N 2 2 255.362 -0.049 20 0 CBADLP C[C@H](C[NH3+])NC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000423536232 354179812 /nfs/dbraw/zinc/17/98/12/354179812.db2.gz HEDGEEZWYSWTOA-PWSUYJOCSA-N 2 2 255.362 -0.049 20 0 CBADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423543281 354179946 /nfs/dbraw/zinc/17/99/46/354179946.db2.gz UVGSUPDITHJQJH-QWHCGFSZSA-N 2 2 285.388 -0.327 20 0 CBADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423543281 354179948 /nfs/dbraw/zinc/17/99/48/354179948.db2.gz UVGSUPDITHJQJH-QWHCGFSZSA-N 2 2 285.388 -0.327 20 0 CBADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC(F)(F)C[NH3+])C1 ZINC000423543096 354179981 /nfs/dbraw/zinc/17/99/81/354179981.db2.gz MVDSRNFGFMEVIL-SECBINFHSA-N 2 2 265.304 -0.194 20 0 CBADLP CC(C)[N@H+]1CCO[C@@H](C(=O)NCC(F)(F)C[NH3+])C1 ZINC000423543096 354179982 /nfs/dbraw/zinc/17/99/82/354179982.db2.gz MVDSRNFGFMEVIL-SECBINFHSA-N 2 2 265.304 -0.194 20 0 CBADLP C[C@@H](C[NH3+])NC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000423589302 354181437 /nfs/dbraw/zinc/18/14/37/354181437.db2.gz HEDGEEZWYSWTOA-JQWIXIFHSA-N 2 2 255.362 -0.049 20 0 CBADLP C[C@@H](C[NH3+])NC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000423589302 354181443 /nfs/dbraw/zinc/18/14/43/354181443.db2.gz HEDGEEZWYSWTOA-JQWIXIFHSA-N 2 2 255.362 -0.049 20 0 CBADLP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)[C@H](C)C[NH2+]1 ZINC000423634288 354186259 /nfs/dbraw/zinc/18/62/59/354186259.db2.gz QMJJOZTUZNVHJG-LPWJVIDDSA-N 2 2 296.415 -0.254 20 0 CBADLP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)[C@H](C)C[NH2+]1 ZINC000423634288 354186261 /nfs/dbraw/zinc/18/62/61/354186261.db2.gz QMJJOZTUZNVHJG-LPWJVIDDSA-N 2 2 296.415 -0.254 20 0 CBADLP CC(C)[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)CC1 ZINC000423626972 354186789 /nfs/dbraw/zinc/18/67/89/354186789.db2.gz HQTCNVZUDFVHSL-CHWSQXEVSA-N 2 2 296.415 -0.252 20 0 CBADLP O=C(NC[C@@H]1C[NH2+]C[C@H]1O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000423663393 354189830 /nfs/dbraw/zinc/18/98/30/354189830.db2.gz GCZFJEPMTWFHBI-IACUBPJLSA-N 2 2 297.399 -0.674 20 0 CBADLP O=C(NC[C@@H]1C[NH2+]C[C@H]1O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000423663393 354189835 /nfs/dbraw/zinc/18/98/35/354189835.db2.gz GCZFJEPMTWFHBI-IACUBPJLSA-N 2 2 297.399 -0.674 20 0 CBADLP CCCN(C(=O)C(=O)N1CC[NH+](C)CC1)[C@H]1CC[NH2+]C1 ZINC000423660652 354190254 /nfs/dbraw/zinc/19/02/54/354190254.db2.gz KLOXXIUTHFXMEW-LBPRGKRZSA-N 2 2 282.388 -0.639 20 0 CBADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423665655 354190321 /nfs/dbraw/zinc/19/03/21/354190321.db2.gz KEKGFUKFTFXTSW-XQHKEYJVSA-N 2 2 267.373 -0.179 20 0 CBADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423665655 354190323 /nfs/dbraw/zinc/19/03/23/354190323.db2.gz KEKGFUKFTFXTSW-XQHKEYJVSA-N 2 2 267.373 -0.179 20 0 CBADLP CC(C)[NH+]1CCN(C(=O)C(=O)N2CC[NH2+][C@H](C)C2)CC1 ZINC000423674132 354191161 /nfs/dbraw/zinc/19/11/61/354191161.db2.gz GPCCPFHIAIPBCZ-GFCCVEGCSA-N 2 2 282.388 -0.641 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2CCCC[C@H]2[C@H](C)[NH3+])CC1 ZINC000423691005 354192396 /nfs/dbraw/zinc/19/23/96/354192396.db2.gz ZMQBLQHDSBZDCC-STQMWFEESA-N 2 2 296.415 -0.121 20 0 CBADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)N(C)CC[NH+]1CCOCC1 ZINC000423747095 354195915 /nfs/dbraw/zinc/19/59/15/354195915.db2.gz OZHARHFVIPIGJU-NEPJUHHUSA-N 2 2 271.361 -0.846 20 0 CBADLP C[N@@H+]1CCO[C@@H](CNC(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)C1 ZINC000423746150 354196286 /nfs/dbraw/zinc/19/62/86/354196286.db2.gz NIKYSGFQKXAKNB-MBNYWOFBSA-N 2 2 267.373 -0.177 20 0 CBADLP C[N@H+]1CCO[C@@H](CNC(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)C1 ZINC000423746150 354196287 /nfs/dbraw/zinc/19/62/87/354196287.db2.gz NIKYSGFQKXAKNB-MBNYWOFBSA-N 2 2 267.373 -0.177 20 0 CBADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000423786856 354199644 /nfs/dbraw/zinc/19/96/44/354199644.db2.gz QKGUOMJDWHETTN-NEPJUHHUSA-N 2 2 299.371 -0.929 20 0 CBADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000423796255 354200389 /nfs/dbraw/zinc/20/03/89/354200389.db2.gz ZUQJTGFWMHJDLI-NWDGAFQWSA-N 2 2 299.371 -0.929 20 0 CBADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC000423796253 354200958 /nfs/dbraw/zinc/20/09/58/354200958.db2.gz ZUQJTGFWMHJDLI-NEPJUHHUSA-N 2 2 299.371 -0.929 20 0 CBADLP COCC[NH2+]CC(=O)N(CC1CC1)C[C@@H]1C[N@H+](C)CCO1 ZINC000423862860 354201503 /nfs/dbraw/zinc/20/15/03/354201503.db2.gz GRVJIWMGMUXNCA-AWEZNQCLSA-N 2 2 299.415 -0.208 20 0 CBADLP COCC[NH2+]CC(=O)N(CC1CC1)C[C@@H]1C[N@@H+](C)CCO1 ZINC000423862860 354201505 /nfs/dbraw/zinc/20/15/05/354201505.db2.gz GRVJIWMGMUXNCA-AWEZNQCLSA-N 2 2 299.415 -0.208 20 0 CBADLP CO[C@H](C[NH3+])CC(=O)N(CC1CC1)C[C@H]1C[N@H+](C)CCO1 ZINC000423863051 354201765 /nfs/dbraw/zinc/20/17/65/354201765.db2.gz HDRIQRAPKKMOHK-UONOGXRCSA-N 2 2 299.415 -0.081 20 0 CBADLP CO[C@H](C[NH3+])CC(=O)N(CC1CC1)C[C@H]1C[N@@H+](C)CCO1 ZINC000423863051 354201769 /nfs/dbraw/zinc/20/17/69/354201769.db2.gz HDRIQRAPKKMOHK-UONOGXRCSA-N 2 2 299.415 -0.081 20 0 CBADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H](C)[NH3+])C[C@@H]1C ZINC000423896463 354204417 /nfs/dbraw/zinc/20/44/17/354204417.db2.gz OAWAHPVPAPRGBE-UWVGGRQHSA-N 2 2 257.334 -0.571 20 0 CBADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@H](C)[NH3+])C[C@@H]1C ZINC000423896463 354204421 /nfs/dbraw/zinc/20/44/21/354204421.db2.gz OAWAHPVPAPRGBE-UWVGGRQHSA-N 2 2 257.334 -0.571 20 0 CBADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H]2CCC[NH2+]2)C[C@@H]1C ZINC000423903416 354204872 /nfs/dbraw/zinc/20/48/72/354204872.db2.gz WPEBJHSOBTVIEL-RYUDHWBXSA-N 2 2 283.372 -0.166 20 0 CBADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H]2CCC[NH2+]2)C[C@@H]1C ZINC000423903416 354204877 /nfs/dbraw/zinc/20/48/77/354204877.db2.gz WPEBJHSOBTVIEL-RYUDHWBXSA-N 2 2 283.372 -0.166 20 0 CBADLP [NH3+][C@@H]1C[C@@H]1C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000424132886 354209994 /nfs/dbraw/zinc/20/99/94/354209994.db2.gz LALHEKSZZGHEKC-SDDRHHMPSA-N 2 2 253.346 -0.343 20 0 CBADLP [NH3+][C@@H]1C[C@@H]1C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000424157553 354211866 /nfs/dbraw/zinc/21/18/66/354211866.db2.gz PWSTWIQQYFGJOS-NWDGAFQWSA-N 2 2 279.344 -0.499 20 0 CBADLP CC[C@@H]1CN(C(=O)[C@@H]2COCC[NH2+]2)C[C@@H]1[NH+]1CCOCC1 ZINC000424166565 354212899 /nfs/dbraw/zinc/21/28/99/354212899.db2.gz GGFZDYFRFIJQJR-RDBSUJKOSA-N 2 2 297.399 -0.456 20 0 CBADLP C[NH+](C)Cc1nc(C(C)(C)NC(=O)[C@@H]2C[C@@H]2[NH3+])no1 ZINC000424164572 354213410 /nfs/dbraw/zinc/21/34/10/354213410.db2.gz ZVLAAVXGJCFMLC-SFYZADRCSA-N 2 2 267.333 -0.170 20 0 CBADLP CO[C@@H](C[NH3+])CC(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424198333 354218274 /nfs/dbraw/zinc/21/82/74/354218274.db2.gz XVLZBFCDMCWVRL-DTWKUNHWSA-N 2 2 265.304 -0.289 20 0 CBADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)[C@H]1COCC[NH2+]1 ZINC000424177470 354215014 /nfs/dbraw/zinc/21/50/14/354215014.db2.gz UOCUMBOZJNVMEV-NWDGAFQWSA-N 2 2 276.340 -0.235 20 0 CBADLP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1C[C@H]2OCC[NH+](C)[C@H]2C1 ZINC000427035071 354244021 /nfs/dbraw/zinc/24/40/21/354244021.db2.gz QZLZFOMUPXAISL-ZDEQEGDKSA-N 2 2 267.373 -0.275 20 0 CBADLP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1C[C@H]2OCC[NH+](C)[C@H]2C1 ZINC000427035071 354244022 /nfs/dbraw/zinc/24/40/22/354244022.db2.gz QZLZFOMUPXAISL-ZDEQEGDKSA-N 2 2 267.373 -0.275 20 0 CBADLP C[C@H]1C[NH+](C)C[C@@H]1C(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000427035071 354244024 /nfs/dbraw/zinc/24/40/24/354244024.db2.gz QZLZFOMUPXAISL-ZDEQEGDKSA-N 2 2 267.373 -0.275 20 0 CBADLP C[C@H]1C[NH+](C)C[C@@H]1C(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000427035071 354244025 /nfs/dbraw/zinc/24/40/25/354244025.db2.gz QZLZFOMUPXAISL-ZDEQEGDKSA-N 2 2 267.373 -0.275 20 0 CBADLP Cn1c(C[NH2+][C@@](C)(C[NH3+])C2CC2)cc(=O)n(C)c1=O ZINC000430566641 354249593 /nfs/dbraw/zinc/24/95/93/354249593.db2.gz HKVBOZUFPFBTOG-ZDUSSCGKSA-N 2 2 266.345 -0.699 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[NH2+][C@](C)(C[NH3+])C(C)C ZINC000430547637 354249894 /nfs/dbraw/zinc/24/98/94/354249894.db2.gz FTWCUYDLVICJGY-CQSZACIVSA-N 2 2 286.420 -0.066 20 0 CBADLP C[NH2+]C[C@@H]1CC[N@H+](CCNS(=O)(=O)CCCOC)C1 ZINC000430915645 354250801 /nfs/dbraw/zinc/25/08/01/354250801.db2.gz DQMDJGHFRJCEPB-LBPRGKRZSA-N 2 2 293.433 -0.516 20 0 CBADLP C[NH2+]C[C@@H]1CC[N@@H+](CCNS(=O)(=O)CCCOC)C1 ZINC000430915645 354250803 /nfs/dbraw/zinc/25/08/03/354250803.db2.gz DQMDJGHFRJCEPB-LBPRGKRZSA-N 2 2 293.433 -0.516 20 0 CBADLP C[NH2+]C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC(=O)NC2CC2)C1 ZINC000430924344 354251839 /nfs/dbraw/zinc/25/18/39/354251839.db2.gz AMQIFWNDTMXIAC-UWVGGRQHSA-N 2 2 268.361 -0.096 20 0 CBADLP C[NH2+]C[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC(=O)NC2CC2)C1 ZINC000430924344 354251840 /nfs/dbraw/zinc/25/18/40/354251840.db2.gz AMQIFWNDTMXIAC-UWVGGRQHSA-N 2 2 268.361 -0.096 20 0 CBADLP Cn1ncnc1C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000436059202 354256013 /nfs/dbraw/zinc/25/60/13/354256013.db2.gz KHJIYLPGCXYQND-NSHDSACASA-N 2 2 280.376 -0.365 20 0 CBADLP Cn1ncnc1C[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000436059202 354256015 /nfs/dbraw/zinc/25/60/15/354256015.db2.gz KHJIYLPGCXYQND-NSHDSACASA-N 2 2 280.376 -0.365 20 0 CBADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)[C@H]1CC[NH2+]1 ZINC000444168180 354262272 /nfs/dbraw/zinc/26/22/72/354262272.db2.gz OPXWRNLNTIGMRG-GFCCVEGCSA-N 2 2 279.344 -0.484 20 0 CBADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)[C@H]2CC[NH2+]2)CC1 ZINC000444174307 354263446 /nfs/dbraw/zinc/26/34/46/354263446.db2.gz GVCIOVSSHAYBBJ-ZYHUDNBSSA-N 2 2 280.372 -0.840 20 0 CBADLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000424336881 354222664 /nfs/dbraw/zinc/22/26/64/354222664.db2.gz RJTQBFUBWNAGJV-FDYHWXHSSA-N 2 2 296.415 -0.042 20 0 CBADLP COC[C@H](C)NC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424289214 354222935 /nfs/dbraw/zinc/22/29/35/354222935.db2.gz BQEUUVQFCAQZKA-HBNTYKKESA-N 2 2 286.376 -0.293 20 0 CBADLP [NH3+][C@@H]1CCCC[C@H]1NC(=O)NCC[NH+]1CCOCC1 ZINC000424412618 354223430 /nfs/dbraw/zinc/22/34/30/354223430.db2.gz NNWHYOINJHYMNI-VXGBXAGGSA-N 2 2 270.377 -0.112 20 0 CBADLP CO[C@@H]1COC[C@@H]1[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000425372665 354238295 /nfs/dbraw/zinc/23/82/95/354238295.db2.gz UBBVQLVAJPGWPD-WDEREUQCSA-N 2 2 254.334 -0.011 20 0 CBADLP CO[C@@H](C[NH3+])CC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000447437604 354298497 /nfs/dbraw/zinc/29/84/97/354298497.db2.gz ZJTLZOVLZYVDSB-LLVKDONJSA-N 2 2 281.360 -0.582 20 0 CBADLP CC1(C)C[NH+](CC(O)C[N@@H+]2C[C@H](O)C(C)(C)C2)C[C@@H]1O ZINC000447794337 354305233 /nfs/dbraw/zinc/30/52/33/354305233.db2.gz HZBFJUFJIIDMRH-STQMWFEESA-N 2 2 286.416 -0.247 20 0 CBADLP CC1(C)C[NH+](CC(O)C[N@H+]2C[C@H](O)C(C)(C)C2)C[C@@H]1O ZINC000447794337 354305236 /nfs/dbraw/zinc/30/52/36/354305236.db2.gz HZBFJUFJIIDMRH-STQMWFEESA-N 2 2 286.416 -0.247 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@H](CO)[C@@H]2CCCO2)CC1 ZINC000447908494 354307375 /nfs/dbraw/zinc/30/73/75/354307375.db2.gz BNYGRRRXWWBZQS-MJBXVCDLSA-N 2 2 299.415 -0.332 20 0 CBADLP C[C@H](CNC(=O)[C@H]1C[C@@]12CC[NH2+]C2)[NH+]1CCN(C)CC1 ZINC000444270369 354267509 /nfs/dbraw/zinc/26/75/09/354267509.db2.gz OZUMXCAYWCAFFB-UMVBOHGHSA-N 2 2 280.416 -0.262 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@H](C)[NH+](C)C ZINC000454264127 354354929 /nfs/dbraw/zinc/35/49/29/354354929.db2.gz LFNNZCMQQARWIQ-NEPJUHHUSA-N 2 2 272.393 -0.044 20 0 CBADLP C[C@@H](C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21)[NH+]1CCOCC1 ZINC000449736027 354321965 /nfs/dbraw/zinc/32/19/65/354321965.db2.gz VLMCAKKSAWHMHF-RWMBFGLXSA-N 2 2 267.373 -0.083 20 0 CBADLP CC(=O)[C@](C)(O)C[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000450349194 354324270 /nfs/dbraw/zinc/32/42/70/354324270.db2.gz NODGITAPWGRURV-OAHLLOKOSA-N 2 2 297.399 -0.434 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2C[C@@H](O)[C@H](OC)C2)CC1 ZINC000451750504 354341669 /nfs/dbraw/zinc/34/16/69/354341669.db2.gz RFQHAKJYBUDSQU-YNEHKIRRSA-N 2 2 285.388 -0.770 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2C[C@@H](O)[C@H](OC)C2)CC1 ZINC000451750504 354341671 /nfs/dbraw/zinc/34/16/71/354341671.db2.gz RFQHAKJYBUDSQU-YNEHKIRRSA-N 2 2 285.388 -0.770 20 0 CBADLP CN1C[C@@H]2CC[C@H](CC1=O)[N@@H+]2CC(=O)N1CC[NH+](C)CC1 ZINC000451861804 354342519 /nfs/dbraw/zinc/34/25/19/354342519.db2.gz NODATVJRUNOTFD-OLZOCXBDSA-N 2 2 294.399 -0.545 20 0 CBADLP CN1C[C@@H]2CC[C@H](CC1=O)[N@H+]2CC(=O)N1CC[NH+](C)CC1 ZINC000451861804 354342522 /nfs/dbraw/zinc/34/25/22/354342522.db2.gz NODATVJRUNOTFD-OLZOCXBDSA-N 2 2 294.399 -0.545 20 0 CBADLP COC(=O)CC1([NH2+]CC(=O)N2CC[NH+](C)CC2)CCC1 ZINC000459405768 354383758 /nfs/dbraw/zinc/38/37/58/354383758.db2.gz UDUUERGMFBFPDP-UHFFFAOYSA-N 2 2 283.372 -0.164 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@](O)(CO)C2)CC1 ZINC000459646555 354385267 /nfs/dbraw/zinc/38/52/67/354385267.db2.gz IWRBDXWPNOEDAX-DZGCQCFKSA-N 2 2 299.415 -0.642 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@](O)(CO)C2)CC1 ZINC000459646555 354385269 /nfs/dbraw/zinc/38/52/69/354385269.db2.gz IWRBDXWPNOEDAX-DZGCQCFKSA-N 2 2 299.415 -0.642 20 0 CBADLP CC[C@@H]1OCC[C@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000459784753 354387128 /nfs/dbraw/zinc/38/71/28/354387128.db2.gz XZWIKHFSVPECEN-NEPJUHHUSA-N 2 2 255.362 -0.083 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000459806904 354388278 /nfs/dbraw/zinc/38/82/78/354388278.db2.gz GKISGWOSDAANEJ-CYBMUJFWSA-N 2 2 296.415 -0.297 20 0 CBADLP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CC[NH+](C)CC2)CC1 ZINC000459858697 354391604 /nfs/dbraw/zinc/39/16/04/354391604.db2.gz DWNGPXZNSKDFTD-UHFFFAOYSA-N 2 2 296.415 -0.439 20 0 CBADLP CC[NH+](CC)CC(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC000457111841 354368684 /nfs/dbraw/zinc/36/86/84/354368684.db2.gz FLRNMEOMQDTZFU-LBPRGKRZSA-N 2 2 257.378 -0.147 20 0 CBADLP CC[NH+](CC)CC(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC000457111841 354368686 /nfs/dbraw/zinc/36/86/86/354368686.db2.gz FLRNMEOMQDTZFU-LBPRGKRZSA-N 2 2 257.378 -0.147 20 0 CBADLP CC[NH+](CC)CC(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC000457111840 354368714 /nfs/dbraw/zinc/36/87/14/354368714.db2.gz FLRNMEOMQDTZFU-GFCCVEGCSA-N 2 2 257.378 -0.147 20 0 CBADLP CC[NH+](CC)CC(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC000457111840 354368715 /nfs/dbraw/zinc/36/87/15/354368715.db2.gz FLRNMEOMQDTZFU-GFCCVEGCSA-N 2 2 257.378 -0.147 20 0 CBADLP CC(C)[C@H](CN(C)C(=O)C[NH+](C)C)NC(=O)C[NH+](C)C ZINC000489584886 354433849 /nfs/dbraw/zinc/43/38/49/354433849.db2.gz LSHAWPAQEAGSCV-LBPRGKRZSA-N 2 2 286.420 -0.291 20 0 CBADLP CC(C)[C@@H]1CN(C[C@H](O)C[NH+]2CCOCC2)CC[N@@H+]1C ZINC000487982440 354419904 /nfs/dbraw/zinc/41/99/04/354419904.db2.gz RJNFPACAFGWVNH-CABCVRRESA-N 2 2 285.432 -0.049 20 0 CBADLP CC(C)[C@@H]1CN(C[C@H](O)C[NH+]2CCOCC2)CC[N@H+]1C ZINC000487982440 354419908 /nfs/dbraw/zinc/41/99/08/354419908.db2.gz RJNFPACAFGWVNH-CABCVRRESA-N 2 2 285.432 -0.049 20 0 CBADLP C[N@H+](C[C@H](O)C[NH+]1CC[C@@H]2NC(=O)OC[C@H]2C1)C1CC1 ZINC000495945854 354527645 /nfs/dbraw/zinc/52/76/45/354527645.db2.gz KGARFMWUQVWZTO-WXHSDQCUSA-N 2 2 283.372 -0.128 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH+]1CC[C@@H]2NC(=O)OC[C@H]2C1)C1CC1 ZINC000495945854 354527647 /nfs/dbraw/zinc/52/76/47/354527647.db2.gz KGARFMWUQVWZTO-WXHSDQCUSA-N 2 2 283.372 -0.128 20 0 CBADLP C[NH+](C[C@H](O)C[N@@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1)C1CC1 ZINC000495945854 354527649 /nfs/dbraw/zinc/52/76/49/354527649.db2.gz KGARFMWUQVWZTO-WXHSDQCUSA-N 2 2 283.372 -0.128 20 0 CBADLP C[NH+](C[C@H](O)C[N@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1)C1CC1 ZINC000495945854 354527650 /nfs/dbraw/zinc/52/76/50/354527650.db2.gz KGARFMWUQVWZTO-WXHSDQCUSA-N 2 2 283.372 -0.128 20 0 CBADLP C[N@@H+]1CCN(C(=O)/C=C/c2cnccn2)[C@@H](C[NH3+])C1 ZINC000493107353 354488304 /nfs/dbraw/zinc/48/83/04/354488304.db2.gz PQHLALGWYNATLB-JDGPPOGSSA-N 2 2 261.329 -0.409 20 0 CBADLP C[N@H+]1CCN(C(=O)/C=C/c2cnccn2)[C@@H](C[NH3+])C1 ZINC000493107353 354488305 /nfs/dbraw/zinc/48/83/05/354488305.db2.gz PQHLALGWYNATLB-JDGPPOGSSA-N 2 2 261.329 -0.409 20 0 CBADLP Cn1nccc1/C=C\C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000493126289 354488346 /nfs/dbraw/zinc/48/83/46/354488346.db2.gz HDBUPRLDWFLLPS-VSQXVHSFSA-N 2 2 263.345 -0.465 20 0 CBADLP Cn1nccc1/C=C\C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000493126289 354488348 /nfs/dbraw/zinc/48/83/48/354488348.db2.gz HDBUPRLDWFLLPS-VSQXVHSFSA-N 2 2 263.345 -0.465 20 0 CBADLP C[C@](O)(CNC(=O)/C=C\c1[nH]cc[nH+]1)C[NH+]1CCOCC1 ZINC000493290323 354493786 /nfs/dbraw/zinc/49/37/86/354493786.db2.gz PPXFXAUGCZUJOG-SFAKSCPVSA-N 2 2 294.355 -0.378 20 0 CBADLP CC1(C)NC(=O)CC[C@@H]1[NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000495085395 354498100 /nfs/dbraw/zinc/49/81/00/354498100.db2.gz OGYYKISPFAQAMW-NEPJUHHUSA-N 2 2 296.415 -0.027 20 0 CBADLP CC1(C)NC(=O)CC[C@@H]1[NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000495085395 354498101 /nfs/dbraw/zinc/49/81/01/354498101.db2.gz OGYYKISPFAQAMW-NEPJUHHUSA-N 2 2 296.415 -0.027 20 0 CBADLP C[C@@H](C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)[NH+]1CCN(C)CC1 ZINC000514864101 354555971 /nfs/dbraw/zinc/55/59/71/354555971.db2.gz QTROHFBGGDLHLM-GXTWGEPZSA-N 2 2 280.416 -0.025 20 0 CBADLP CNc1[nH+]cnc2c1cnn2C[C@H](O)C[N@@H+](C)CCOC ZINC000519424824 354561410 /nfs/dbraw/zinc/56/14/10/354561410.db2.gz BVPRPIAHBGTVMB-SNVBAGLBSA-N 2 2 294.359 -0.193 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NCC[NH+]1CCC1 ZINC000533566438 354593679 /nfs/dbraw/zinc/59/36/79/354593679.db2.gz BDQXLUUSFUWOJN-GFCCVEGCSA-N 2 2 270.377 -0.288 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NCC[NH+]1CCC1 ZINC000533566439 354594605 /nfs/dbraw/zinc/59/46/05/354594605.db2.gz BDQXLUUSFUWOJN-LBPRGKRZSA-N 2 2 270.377 -0.288 20 0 CBADLP CN1CC[N@H+](C)C[C@@H]1CNc1cc[nH+]cc1C(N)=O ZINC000547280639 354657576 /nfs/dbraw/zinc/65/75/76/354657576.db2.gz LEQDUJOCGSZWCF-JTQLQIEISA-N 2 2 263.345 -0.740 20 0 CBADLP CN1CC[N@@H+](C)C[C@@H]1CNc1cc[nH+]cc1C(N)=O ZINC000547280639 354657583 /nfs/dbraw/zinc/65/75/83/354657583.db2.gz LEQDUJOCGSZWCF-JTQLQIEISA-N 2 2 263.345 -0.740 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000536067058 354605043 /nfs/dbraw/zinc/60/50/43/354605043.db2.gz LDZAAUOGJJMKFQ-BDAKNGLRSA-N 2 2 265.317 -0.207 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000536067058 354605044 /nfs/dbraw/zinc/60/50/44/354605044.db2.gz LDZAAUOGJJMKFQ-BDAKNGLRSA-N 2 2 265.317 -0.207 20 0 CBADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000536067064 354605644 /nfs/dbraw/zinc/60/56/44/354605644.db2.gz LDZAAUOGJJMKFQ-IUCAKERBSA-N 2 2 265.317 -0.207 20 0 CBADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000536067064 354605645 /nfs/dbraw/zinc/60/56/45/354605645.db2.gz LDZAAUOGJJMKFQ-IUCAKERBSA-N 2 2 265.317 -0.207 20 0 CBADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C1CCOCC1 ZINC000536755274 354608877 /nfs/dbraw/zinc/60/88/77/354608877.db2.gz HBESFIFVGLGDBB-UHFFFAOYSA-N 2 2 255.362 -0.129 20 0 CBADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C1CCOCC1 ZINC000536755274 354608881 /nfs/dbraw/zinc/60/88/81/354608881.db2.gz HBESFIFVGLGDBB-UHFFFAOYSA-N 2 2 255.362 -0.129 20 0 CBADLP CC[N@H+](CCNC(=O)N1CC[NH+](C)C[C@H]1C[NH3+])C1CC1 ZINC000557144662 354685182 /nfs/dbraw/zinc/68/51/82/354685182.db2.gz MXUNGPASBOHCEM-CYBMUJFWSA-N 3 2 283.420 -0.245 20 0 CBADLP CC[N@@H+](CCNC(=O)N1CC[NH+](C)C[C@H]1C[NH3+])C1CC1 ZINC000557144662 354685184 /nfs/dbraw/zinc/68/51/84/354685184.db2.gz MXUNGPASBOHCEM-CYBMUJFWSA-N 3 2 283.420 -0.245 20 0 CBADLP CC[NH+](CCNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])C1CC1 ZINC000557144662 354685187 /nfs/dbraw/zinc/68/51/87/354685187.db2.gz MXUNGPASBOHCEM-CYBMUJFWSA-N 3 2 283.420 -0.245 20 0 CBADLP CC[NH+](CCNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])C1CC1 ZINC000557144662 354685189 /nfs/dbraw/zinc/68/51/89/354685189.db2.gz MXUNGPASBOHCEM-CYBMUJFWSA-N 3 2 283.420 -0.245 20 0 CBADLP C[N@@H+]1CCN(C(=O)NCCOCC(F)(F)F)[C@@H](C[NH3+])C1 ZINC000557113531 354685445 /nfs/dbraw/zinc/68/54/45/354685445.db2.gz OCCSAFGYATYWRN-VIFPVBQESA-N 2 2 298.309 -0.150 20 0 CBADLP C[N@H+]1CCN(C(=O)NCCOCC(F)(F)F)[C@@H](C[NH3+])C1 ZINC000557113531 354685448 /nfs/dbraw/zinc/68/54/48/354685448.db2.gz OCCSAFGYATYWRN-VIFPVBQESA-N 2 2 298.309 -0.150 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000562798861 354688020 /nfs/dbraw/zinc/68/80/20/354688020.db2.gz YGBDJLGYZOBAMX-HZSPNIEDSA-N 2 2 296.415 -0.042 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000562798861 354688022 /nfs/dbraw/zinc/68/80/22/354688022.db2.gz YGBDJLGYZOBAMX-HZSPNIEDSA-N 2 2 296.415 -0.042 20 0 CBADLP CC(C)N1CC[C@@H](NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])C1=O ZINC000562811162 354688238 /nfs/dbraw/zinc/68/82/38/354688238.db2.gz SNFOTZKKQRVILC-VXGBXAGGSA-N 2 2 297.403 -0.720 20 0 CBADLP CC(C)N1CC[C@@H](NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])C1=O ZINC000562811162 354688241 /nfs/dbraw/zinc/68/82/41/354688241.db2.gz SNFOTZKKQRVILC-VXGBXAGGSA-N 2 2 297.403 -0.720 20 0 CBADLP COCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](O)Cn1cccn1 ZINC000562986334 354690843 /nfs/dbraw/zinc/69/08/43/354690843.db2.gz XGRCSJWVNXMQDR-KBPBESRZSA-N 2 2 282.388 -0.056 20 0 CBADLP COCC[N@H+]1CCC[C@H]1C[NH2+]C[C@H](O)Cn1cccn1 ZINC000562986334 354690848 /nfs/dbraw/zinc/69/08/48/354690848.db2.gz XGRCSJWVNXMQDR-KBPBESRZSA-N 2 2 282.388 -0.056 20 0 CBADLP Cn1cc[nH+]c1CN1CCN(C(=O)C(C)(C)[NH3+])CC1 ZINC000563073886 354694417 /nfs/dbraw/zinc/69/44/17/354694417.db2.gz WANKOVKZGSXMSX-UHFFFAOYSA-N 2 2 265.361 -0.198 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NC[C@H]1CCC[NH2+]1 ZINC000563105773 354696637 /nfs/dbraw/zinc/69/66/37/354696637.db2.gz XFYFIXRKAGCBBY-LLVKDONJSA-N 2 2 270.377 -0.689 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NC[C@H]1CCC[NH2+]1 ZINC000563105773 354696640 /nfs/dbraw/zinc/69/66/40/354696640.db2.gz XFYFIXRKAGCBBY-LLVKDONJSA-N 2 2 270.377 -0.689 20 0 CBADLP C[C@@H](CC(=O)N1CC[NH+](CCO)CC1)n1cc[nH+]c1 ZINC000563238158 354703685 /nfs/dbraw/zinc/70/36/85/354703685.db2.gz UMFPOXXZWDQQPP-LBPRGKRZSA-N 2 2 266.345 -0.029 20 0 CBADLP O=C([C@@H]1CCCO1)N1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000563887686 354706911 /nfs/dbraw/zinc/70/69/11/354706911.db2.gz LBNJWJBPTPCEPI-AWEZNQCLSA-N 2 2 296.415 -0.785 20 0 CBADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@]2(C)CC[NH2+]C2)CC1 ZINC000563960549 354708693 /nfs/dbraw/zinc/70/86/93/354708693.db2.gz SXSKHDGTPOTSJK-OAHLLOKOSA-N 2 2 296.415 -0.344 20 0 CBADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@]2(C)CC[NH2+]C2)CC1 ZINC000563960549 354708694 /nfs/dbraw/zinc/70/86/94/354708694.db2.gz SXSKHDGTPOTSJK-OAHLLOKOSA-N 2 2 296.415 -0.344 20 0 CBADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]C[C@@H](O)CO)c2cc1C ZINC000564101447 354711063 /nfs/dbraw/zinc/71/10/63/354711063.db2.gz ICSAHPBOKFPRMV-CHWSQXEVSA-N 2 2 293.367 -0.043 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000564953962 354723119 /nfs/dbraw/zinc/72/31/19/354723119.db2.gz IPHWYNXQOBMNTG-UHFFFAOYSA-N 2 2 274.324 -0.340 20 0 CBADLP COC(=O)CCNC(=O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000564986467 354723812 /nfs/dbraw/zinc/72/38/12/354723812.db2.gz PLNHBBOXKQIJSJ-GHMZBOCLSA-N 2 2 269.345 -0.651 20 0 CBADLP COC(=O)CCNC(=O)C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000564986467 354723817 /nfs/dbraw/zinc/72/38/17/354723817.db2.gz PLNHBBOXKQIJSJ-GHMZBOCLSA-N 2 2 269.345 -0.651 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]2CSC[NH2+]2)CCO1 ZINC000565028359 354725731 /nfs/dbraw/zinc/72/57/31/354725731.db2.gz FTGORTBVKDFMLI-NXEZZACHSA-N 2 2 259.375 -0.514 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2CSC[NH2+]2)CCO1 ZINC000565028359 354725733 /nfs/dbraw/zinc/72/57/33/354725733.db2.gz FTGORTBVKDFMLI-NXEZZACHSA-N 2 2 259.375 -0.514 20 0 CBADLP CN(Cc1cnn(C)c1)C(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000565046165 354726414 /nfs/dbraw/zinc/72/64/14/354726414.db2.gz HKGKNLZUMURWML-KBPBESRZSA-N 2 2 291.399 -0.080 20 0 CBADLP CN(Cc1cnn(C)c1)C(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000565046165 354726415 /nfs/dbraw/zinc/72/64/15/354726415.db2.gz HKGKNLZUMURWML-KBPBESRZSA-N 2 2 291.399 -0.080 20 0 CBADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)CC(F)(F)C[NH3+] ZINC000565149952 354729195 /nfs/dbraw/zinc/72/91/95/354729195.db2.gz FHSSEQMBKNJJKT-JTQLQIEISA-N 2 2 278.347 -0.277 20 0 CBADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)CC(F)(F)C[NH3+] ZINC000565149952 354729198 /nfs/dbraw/zinc/72/91/98/354729198.db2.gz FHSSEQMBKNJJKT-JTQLQIEISA-N 2 2 278.347 -0.277 20 0 CBADLP C[N@@H+]1CC[C@@](O)(CNC(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000548000931 354673512 /nfs/dbraw/zinc/67/35/12/354673512.db2.gz MMJKUGLXUMTHGX-SMDDNHRTSA-N 2 2 293.371 -0.436 20 0 CBADLP C[N@H+]1CC[C@@](O)(CNC(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000548000931 354673513 /nfs/dbraw/zinc/67/35/13/354673513.db2.gz MMJKUGLXUMTHGX-SMDDNHRTSA-N 2 2 293.371 -0.436 20 0 CBADLP C[N@@H+]1CC[C@@](O)(CNC(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000548000928 354673708 /nfs/dbraw/zinc/67/37/08/354673708.db2.gz MMJKUGLXUMTHGX-BXUZGUMPSA-N 2 2 293.371 -0.436 20 0 CBADLP C[N@H+]1CC[C@@](O)(CNC(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000548000928 354673711 /nfs/dbraw/zinc/67/37/11/354673711.db2.gz MMJKUGLXUMTHGX-BXUZGUMPSA-N 2 2 293.371 -0.436 20 0 CBADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]C[C@@H](O)C2CC2)C[C@@H](C)O1 ZINC000565775413 354745923 /nfs/dbraw/zinc/74/59/23/354745923.db2.gz RSVFCXDDHRDVGN-HBJVGIJOSA-N 2 2 272.389 -0.183 20 0 CBADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]C(CO)CO)c2cc1C ZINC000566232212 354758178 /nfs/dbraw/zinc/75/81/78/354758178.db2.gz LGOYAFLPOKIEKQ-CYBMUJFWSA-N 2 2 293.367 -0.043 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000566249457 354759713 /nfs/dbraw/zinc/75/97/13/354759713.db2.gz SEMROQNGPZUGLV-QWHCGFSZSA-N 2 2 294.399 -0.591 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCCO[C@@H](CF)C1 ZINC000566429756 354766648 /nfs/dbraw/zinc/76/66/48/354766648.db2.gz YBTOTGDUTNOEIA-STQMWFEESA-N 2 2 278.368 -0.014 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCCO[C@@H](CF)C1 ZINC000566429756 354766651 /nfs/dbraw/zinc/76/66/51/354766651.db2.gz YBTOTGDUTNOEIA-STQMWFEESA-N 2 2 278.368 -0.014 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCCO[C@@H](CF)C1 ZINC000566429756 354766652 /nfs/dbraw/zinc/76/66/52/354766652.db2.gz YBTOTGDUTNOEIA-STQMWFEESA-N 2 2 278.368 -0.014 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCCO[C@@H](CF)C1 ZINC000566429756 354766654 /nfs/dbraw/zinc/76/66/54/354766654.db2.gz YBTOTGDUTNOEIA-STQMWFEESA-N 2 2 278.368 -0.014 20 0 CBADLP NC(=O)c1csc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1 ZINC000566749442 354774628 /nfs/dbraw/zinc/77/46/28/354774628.db2.gz SNWURKLHLNLPFA-GXSJLCMTSA-N 2 2 294.380 -0.409 20 0 CBADLP NC(=O)c1csc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1 ZINC000566749442 354774629 /nfs/dbraw/zinc/77/46/29/354774629.db2.gz SNWURKLHLNLPFA-GXSJLCMTSA-N 2 2 294.380 -0.409 20 0 CBADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CC[NH+](C)C[C@@H]1C[NH3+] ZINC000567096268 354780646 /nfs/dbraw/zinc/78/06/46/354780646.db2.gz LESFQKBCMYEMDS-XBFCOCLRSA-N 3 2 295.431 -0.247 20 0 CBADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CC[NH+](C)C[C@@H]1C[NH3+] ZINC000567096268 354780649 /nfs/dbraw/zinc/78/06/49/354780649.db2.gz LESFQKBCMYEMDS-XBFCOCLRSA-N 3 2 295.431 -0.247 20 0 CBADLP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000567096268 354780651 /nfs/dbraw/zinc/78/06/51/354780651.db2.gz LESFQKBCMYEMDS-XBFCOCLRSA-N 3 2 295.431 -0.247 20 0 CBADLP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000567096268 354780652 /nfs/dbraw/zinc/78/06/52/354780652.db2.gz LESFQKBCMYEMDS-XBFCOCLRSA-N 3 2 295.431 -0.247 20 0 CBADLP CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000567180249 354782508 /nfs/dbraw/zinc/78/25/08/354782508.db2.gz DEIMWBUAKKHLND-BJDJZHNGSA-N 2 2 282.388 -0.467 20 0 CBADLP CC[C@H](C)NC(=O)[C@H](C)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000567180249 354782509 /nfs/dbraw/zinc/78/25/09/354782509.db2.gz DEIMWBUAKKHLND-BJDJZHNGSA-N 2 2 282.388 -0.467 20 0 CBADLP COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000565362099 354736908 /nfs/dbraw/zinc/73/69/08/354736908.db2.gz SWYZZNGCWZLRPC-CHWSQXEVSA-N 2 2 297.399 -0.013 20 0 CBADLP COC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000565362099 354736909 /nfs/dbraw/zinc/73/69/09/354736909.db2.gz SWYZZNGCWZLRPC-CHWSQXEVSA-N 2 2 297.399 -0.013 20 0 CBADLP COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000565362102 354737268 /nfs/dbraw/zinc/73/72/68/354737268.db2.gz SWYZZNGCWZLRPC-STQMWFEESA-N 2 2 297.399 -0.013 20 0 CBADLP COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000565362102 354737272 /nfs/dbraw/zinc/73/72/72/354737272.db2.gz SWYZZNGCWZLRPC-STQMWFEESA-N 2 2 297.399 -0.013 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2C[C@]23CC[NH2+]C3)CCO1 ZINC000565481768 354739670 /nfs/dbraw/zinc/73/96/70/354739670.db2.gz BZLSPTMVWYOCMD-DYEKYZERSA-N 2 2 267.373 -0.177 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2C[C@]23CC[NH2+]C3)CCO1 ZINC000565481768 354739671 /nfs/dbraw/zinc/73/96/71/354739671.db2.gz BZLSPTMVWYOCMD-DYEKYZERSA-N 2 2 267.373 -0.177 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000565545073 354740399 /nfs/dbraw/zinc/74/03/99/354740399.db2.gz TYTZKAUFTYZWSK-LOWVWBTDSA-N 2 2 253.346 -0.425 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000565545073 354740400 /nfs/dbraw/zinc/74/04/00/354740400.db2.gz TYTZKAUFTYZWSK-LOWVWBTDSA-N 2 2 253.346 -0.425 20 0 CBADLP C[C@H](NC(=O)C1CCCC1)C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000565537187 354740495 /nfs/dbraw/zinc/74/04/95/354740495.db2.gz LMYOPLVJGNAMSC-AAEUAGOBSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@H](NC(=O)C1CCCC1)C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000565537187 354740498 /nfs/dbraw/zinc/74/04/98/354740498.db2.gz LMYOPLVJGNAMSC-AAEUAGOBSA-N 2 2 296.415 -0.217 20 0 CBADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)CC[NH3+])CC1 ZINC000565599393 354741967 /nfs/dbraw/zinc/74/19/67/354741967.db2.gz FYJRRIGAYUMFCS-UHFFFAOYSA-N 2 2 256.350 -0.994 20 0 CBADLP CCNC(=O)C[N@H+]1CCCN(C(=O)CC[NH3+])CC1 ZINC000565599393 354741970 /nfs/dbraw/zinc/74/19/70/354741970.db2.gz FYJRRIGAYUMFCS-UHFFFAOYSA-N 2 2 256.350 -0.994 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H](CO)[C@@H](O)C2)CC1 ZINC000565619530 354742354 /nfs/dbraw/zinc/74/23/54/354742354.db2.gz HQOQIAXOUAQROA-MJBXVCDLSA-N 2 2 299.415 -0.786 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H](CO)[C@@H](O)C2)CC1 ZINC000565619530 354742355 /nfs/dbraw/zinc/74/23/55/354742355.db2.gz HQOQIAXOUAQROA-MJBXVCDLSA-N 2 2 299.415 -0.786 20 0 CBADLP COC(C)(C)CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000568848020 354832908 /nfs/dbraw/zinc/83/29/08/354832908.db2.gz JKMHAVXCALSCOE-JTQLQIEISA-N 2 2 258.366 -0.304 20 0 CBADLP COC(C)(C)CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000568848020 354832911 /nfs/dbraw/zinc/83/29/11/354832911.db2.gz JKMHAVXCALSCOE-JTQLQIEISA-N 2 2 258.366 -0.304 20 0 CBADLP CC[C@@H]1C[C@H](C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])CC(=O)N1 ZINC000567830129 354799875 /nfs/dbraw/zinc/79/98/75/354799875.db2.gz QNOVEODPTJZUBC-QJPTWQEYSA-N 2 2 282.388 -0.608 20 0 CBADLP CC[C@@H]1C[C@H](C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])CC(=O)N1 ZINC000567830129 354799877 /nfs/dbraw/zinc/79/98/77/354799877.db2.gz QNOVEODPTJZUBC-QJPTWQEYSA-N 2 2 282.388 -0.608 20 0 CBADLP CC[C@@H]1C[C@H](C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])CC(=O)N1 ZINC000567830130 354800079 /nfs/dbraw/zinc/80/00/79/354800079.db2.gz QNOVEODPTJZUBC-TUAOUCFPSA-N 2 2 282.388 -0.608 20 0 CBADLP CC[C@@H]1C[C@H](C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])CC(=O)N1 ZINC000567830130 354800081 /nfs/dbraw/zinc/80/00/81/354800081.db2.gz QNOVEODPTJZUBC-TUAOUCFPSA-N 2 2 282.388 -0.608 20 0 CBADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)NCCC(=O)OC)C1 ZINC000567893022 354803645 /nfs/dbraw/zinc/80/36/45/354803645.db2.gz DRKULLFWGWUJOH-SNVBAGLBSA-N 2 2 257.334 -0.793 20 0 CBADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)NCCC(=O)OC)C1 ZINC000567893022 354803647 /nfs/dbraw/zinc/80/36/47/354803647.db2.gz DRKULLFWGWUJOH-SNVBAGLBSA-N 2 2 257.334 -0.793 20 0 CBADLP CC(C)(C)CCNC(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000568267634 354818869 /nfs/dbraw/zinc/81/88/69/354818869.db2.gz KAYULECWVJONFF-VXGBXAGGSA-N 2 2 296.415 -0.217 20 0 CBADLP CC(C)(C)CCNC(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000568267634 354818873 /nfs/dbraw/zinc/81/88/73/354818873.db2.gz KAYULECWVJONFF-VXGBXAGGSA-N 2 2 296.415 -0.217 20 0 CBADLP O=C1C[C@H]([N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)C(=O)N1 ZINC000568408985 354823381 /nfs/dbraw/zinc/82/33/81/354823381.db2.gz ONRRFOGBPDPWCK-MNOVXSKESA-N 2 2 261.281 -0.050 20 0 CBADLP O=C1C[C@H]([N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)C(=O)N1 ZINC000568408985 354823385 /nfs/dbraw/zinc/82/33/85/354823385.db2.gz ONRRFOGBPDPWCK-MNOVXSKESA-N 2 2 261.281 -0.050 20 0 CBADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC000568673278 354829311 /nfs/dbraw/zinc/82/93/11/354829311.db2.gz LXDQOCHZDMKPJX-VXGBXAGGSA-N 2 2 255.362 -0.130 20 0 CBADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC000568673278 354829316 /nfs/dbraw/zinc/82/93/16/354829316.db2.gz LXDQOCHZDMKPJX-VXGBXAGGSA-N 2 2 255.362 -0.130 20 0 CBADLP CC[C@@H]1C[NH+](C)CCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000568673278 354829319 /nfs/dbraw/zinc/82/93/19/354829319.db2.gz LXDQOCHZDMKPJX-VXGBXAGGSA-N 2 2 255.362 -0.130 20 0 CBADLP CC[C@@H]1C[NH+](C)CCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000568673278 354829322 /nfs/dbraw/zinc/82/93/22/354829322.db2.gz LXDQOCHZDMKPJX-VXGBXAGGSA-N 2 2 255.362 -0.130 20 0 CBADLP C[C@H]1NC(=O)N(CC[NH+]2CCN(c3[nH]cc[nH+]3)CC2)C1=O ZINC000568648588 354829462 /nfs/dbraw/zinc/82/94/62/354829462.db2.gz CQVYSEVSMNETRG-SNVBAGLBSA-N 2 2 292.343 -0.528 20 0 CBADLP CCCNC(=O)[C@H](C)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000568654854 354829914 /nfs/dbraw/zinc/82/99/14/354829914.db2.gz YGFHFMCOTQXOCY-AXFHLTTASA-N 2 2 268.361 -0.855 20 0 CBADLP CCCNC(=O)[C@H](C)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000568654854 354829917 /nfs/dbraw/zinc/82/99/17/354829917.db2.gz YGFHFMCOTQXOCY-AXFHLTTASA-N 2 2 268.361 -0.855 20 0 CBADLP CCCCN(C)CC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000570676724 354867041 /nfs/dbraw/zinc/86/70/41/354867041.db2.gz VZTRHJBIWZVQRR-OAHLLOKOSA-N 2 2 286.464 -0.084 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000571773089 354879883 /nfs/dbraw/zinc/87/98/83/354879883.db2.gz ZKUOTNLEZVPHMQ-STQMWFEESA-N 2 2 287.404 -0.487 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000571773089 354879884 /nfs/dbraw/zinc/87/98/84/354879884.db2.gz ZKUOTNLEZVPHMQ-STQMWFEESA-N 2 2 287.404 -0.487 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)CC(F)(F)C[NH3+])CCO1 ZINC000570811667 354869432 /nfs/dbraw/zinc/86/94/32/354869432.db2.gz BJNBCVGSQCFNDF-VIFPVBQESA-N 2 2 265.304 -0.193 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)CC(F)(F)C[NH3+])CCO1 ZINC000570811667 354869435 /nfs/dbraw/zinc/86/94/35/354869435.db2.gz BJNBCVGSQCFNDF-VIFPVBQESA-N 2 2 265.304 -0.193 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)CC(F)(F)C[NH3+])CCO1 ZINC000570811666 354869518 /nfs/dbraw/zinc/86/95/18/354869518.db2.gz BJNBCVGSQCFNDF-SECBINFHSA-N 2 2 265.304 -0.193 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)CC(F)(F)C[NH3+])CCO1 ZINC000570811666 354869521 /nfs/dbraw/zinc/86/95/21/354869521.db2.gz BJNBCVGSQCFNDF-SECBINFHSA-N 2 2 265.304 -0.193 20 0 CBADLP Cn1cc(C[C@H](CO)[NH2+]C[C@H](O)C[N@H+](C)C2CC2)cn1 ZINC000570803387 354869604 /nfs/dbraw/zinc/86/96/04/354869604.db2.gz QMPGCQHSECWZAI-OCCSQVGLSA-N 2 2 282.388 -0.632 20 0 CBADLP Cn1cc(C[C@H](CO)[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)cn1 ZINC000570803387 354869606 /nfs/dbraw/zinc/86/96/06/354869606.db2.gz QMPGCQHSECWZAI-OCCSQVGLSA-N 2 2 282.388 -0.632 20 0 CBADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)NCCCN1CCCC1=O ZINC000571058264 354875648 /nfs/dbraw/zinc/87/56/48/354875648.db2.gz RQMVIBDARMCMPP-STQMWFEESA-N 2 2 296.415 -0.073 20 0 CBADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)NCCCN1CCCC1=O ZINC000571058264 354875652 /nfs/dbraw/zinc/87/56/52/354875652.db2.gz RQMVIBDARMCMPP-STQMWFEESA-N 2 2 296.415 -0.073 20 0 CBADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H]2CCC[NH2+]2)[C@H](C)C1 ZINC000568975631 354835791 /nfs/dbraw/zinc/83/57/91/354835791.db2.gz PCQBDVJTXBOFII-NEPJUHHUSA-N 2 2 283.372 -0.166 20 0 CBADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H]2CCC[NH2+]2)[C@H](C)C1 ZINC000568975631 354835794 /nfs/dbraw/zinc/83/57/94/354835794.db2.gz PCQBDVJTXBOFII-NEPJUHHUSA-N 2 2 283.372 -0.166 20 0 CBADLP CCS(=O)(=O)C[C@H](C)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000569928412 354849783 /nfs/dbraw/zinc/84/97/83/354849783.db2.gz QGOHAMVDJUZDEZ-LBPRGKRZSA-N 2 2 277.434 -0.353 20 0 CBADLP CCS(=O)(=O)C[C@H](C)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000569928412 354849786 /nfs/dbraw/zinc/84/97/86/354849786.db2.gz QGOHAMVDJUZDEZ-LBPRGKRZSA-N 2 2 277.434 -0.353 20 0 CBADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCCOC2)[C@H](C[NH3+])C1 ZINC000570066255 354853219 /nfs/dbraw/zinc/85/32/19/354853219.db2.gz FZASVHPKTDDCNU-GHMZBOCLSA-N 2 2 256.350 -0.550 20 0 CBADLP C[N@H+]1CCN(C(=O)N[C@@H]2CCCOC2)[C@H](C[NH3+])C1 ZINC000570066255 354853223 /nfs/dbraw/zinc/85/32/23/354853223.db2.gz FZASVHPKTDDCNU-GHMZBOCLSA-N 2 2 256.350 -0.550 20 0 CBADLP C[C@@H]1C[C@H](NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])CO1 ZINC000570088620 354853520 /nfs/dbraw/zinc/85/35/20/354853520.db2.gz HYPOFRQDRBXGAY-VWYCJHECSA-N 2 2 256.350 -0.552 20 0 CBADLP C[C@@H]1C[C@H](NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])CO1 ZINC000570088620 354853521 /nfs/dbraw/zinc/85/35/21/354853521.db2.gz HYPOFRQDRBXGAY-VWYCJHECSA-N 2 2 256.350 -0.552 20 0 CBADLP CNC(=O)[C@H](C)C[N@H+](C)C[C@@H](O)C[NH+](C)CCOC ZINC000570103698 354854679 /nfs/dbraw/zinc/85/46/79/354854679.db2.gz BKYNRIXMKXFRRI-NEPJUHHUSA-N 2 2 275.393 -0.761 20 0 CBADLP CNC(=O)[C@H](C)C[N@@H+](C)C[C@@H](O)C[NH+](C)CCOC ZINC000570103698 354854681 /nfs/dbraw/zinc/85/46/81/354854681.db2.gz BKYNRIXMKXFRRI-NEPJUHHUSA-N 2 2 275.393 -0.761 20 0 CBADLP CNC(=O)[C@H](C)C[NH+](C)C[C@@H](O)C[N@H+](C)CCOC ZINC000570103698 354854684 /nfs/dbraw/zinc/85/46/84/354854684.db2.gz BKYNRIXMKXFRRI-NEPJUHHUSA-N 2 2 275.393 -0.761 20 0 CBADLP CNC(=O)[C@H](C)C[NH+](C)C[C@@H](O)C[N@@H+](C)CCOC ZINC000570103698 354854689 /nfs/dbraw/zinc/85/46/89/354854689.db2.gz BKYNRIXMKXFRRI-NEPJUHHUSA-N 2 2 275.393 -0.761 20 0 CBADLP [NH3+][C@H]1C[C@H]2C[N@H+](CCOCC(F)F)CCN2C1=O ZINC000570108386 354855044 /nfs/dbraw/zinc/85/50/44/354855044.db2.gz VIPCOZLVPXXJBS-IUCAKERBSA-N 2 2 263.288 -0.488 20 0 CBADLP [NH3+][C@H]1C[C@H]2C[N@@H+](CCOCC(F)F)CCN2C1=O ZINC000570108386 354855049 /nfs/dbraw/zinc/85/50/49/354855049.db2.gz VIPCOZLVPXXJBS-IUCAKERBSA-N 2 2 263.288 -0.488 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](CC(N)=O)C1 ZINC000571773089 354879878 /nfs/dbraw/zinc/87/98/78/354879878.db2.gz ZKUOTNLEZVPHMQ-STQMWFEESA-N 2 2 287.404 -0.487 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](CC(N)=O)C1 ZINC000571773089 354879880 /nfs/dbraw/zinc/87/98/80/354879880.db2.gz ZKUOTNLEZVPHMQ-STQMWFEESA-N 2 2 287.404 -0.487 20 0 CBADLP Nc1[nH+]cnc(N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1Cl ZINC000570464607 354863066 /nfs/dbraw/zinc/86/30/66/354863066.db2.gz SGDVQMJMIISRND-NKWVEPMBSA-N 2 2 282.735 -0.540 20 0 CBADLP Nc1nc[nH+]c(N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1Cl ZINC000570464607 354863069 /nfs/dbraw/zinc/86/30/69/354863069.db2.gz SGDVQMJMIISRND-NKWVEPMBSA-N 2 2 282.735 -0.540 20 0 CBADLP C[C@@H]([NH2+][C@H]1CCN(S(C)(=O)=O)C1)[C@H]1CCC[NH2+]1 ZINC000570574605 354864799 /nfs/dbraw/zinc/86/47/99/354864799.db2.gz QVBGDYUKSAVBQR-OUAUKWLOSA-N 2 2 261.391 -0.250 20 0 CBADLP C[N@@H+]1CCN(C(=O)CC[C@@H]2CC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000570568705 354865083 /nfs/dbraw/zinc/86/50/83/354865083.db2.gz DWTTZWXEWQXIGO-VXGBXAGGSA-N 3 2 254.378 -0.523 20 0 CBADLP C[N@H+]1CCN(C(=O)CC[C@@H]2CC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000570568705 354865086 /nfs/dbraw/zinc/86/50/86/354865086.db2.gz DWTTZWXEWQXIGO-VXGBXAGGSA-N 3 2 254.378 -0.523 20 0 CBADLP [NH3+][C@H]1C[C@@H]2C[N@H+](CCN3C[C@H]4CC[C@@H](C3)O4)CCN2C1=O ZINC000571938292 354883760 /nfs/dbraw/zinc/88/37/60/354883760.db2.gz ABRPJDFAQBCMLD-MQYQWHSLSA-N 2 2 294.399 -0.907 20 0 CBADLP [NH3+][C@H]1C[C@@H]2C[N@@H+](CCN3C[C@H]4CC[C@@H](C3)O4)CCN2C1=O ZINC000571938292 354883762 /nfs/dbraw/zinc/88/37/62/354883762.db2.gz ABRPJDFAQBCMLD-MQYQWHSLSA-N 2 2 294.399 -0.907 20 0 CBADLP CCN1C[C@H]([NH2+]C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1=O ZINC000572114311 354886253 /nfs/dbraw/zinc/88/62/53/354886253.db2.gz NJIGWETXOUIDIY-SYQHCUMBSA-N 2 2 299.415 -0.333 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)NCCNc1cccc[nH+]1 ZINC000572116699 354886411 /nfs/dbraw/zinc/88/64/11/354886411.db2.gz BGSBMYCKLOQUNN-UHFFFAOYSA-N 2 2 277.328 -0.959 20 0 CBADLP CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000572180305 354887947 /nfs/dbraw/zinc/88/79/47/354887947.db2.gz UOTVOZOHBWUUCK-UTUOFQBUSA-N 2 2 282.388 -0.515 20 0 CBADLP CC(C)N(C)C(=O)[C@@H](C)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000572180305 354887950 /nfs/dbraw/zinc/88/79/50/354887950.db2.gz UOTVOZOHBWUUCK-UTUOFQBUSA-N 2 2 282.388 -0.515 20 0 CBADLP C[N@@H+]1CCN(C(=O)NCC2(C)CC[NH2+]CC2)[C@H](C[NH3+])C1 ZINC000572347737 354891144 /nfs/dbraw/zinc/89/11/44/354891144.db2.gz MQWVXGDKRLBBJT-GFCCVEGCSA-N 3 2 283.420 -0.340 20 0 CBADLP C[N@H+]1CCN(C(=O)NCC2(C)CC[NH2+]CC2)[C@H](C[NH3+])C1 ZINC000572347737 354891149 /nfs/dbraw/zinc/89/11/49/354891149.db2.gz MQWVXGDKRLBBJT-GFCCVEGCSA-N 3 2 283.420 -0.340 20 0 CBADLP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000572721828 354895647 /nfs/dbraw/zinc/89/56/47/354895647.db2.gz GSQIQPDQAWSFBC-STQMWFEESA-N 3 2 268.405 -0.133 20 0 CBADLP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000572721828 354895651 /nfs/dbraw/zinc/89/56/51/354895651.db2.gz GSQIQPDQAWSFBC-STQMWFEESA-N 3 2 268.405 -0.133 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](OCCO)C1 ZINC000572732003 354895821 /nfs/dbraw/zinc/89/58/21/354895821.db2.gz MJSSJOQMTAVEAE-OLZOCXBDSA-N 2 2 260.378 -0.228 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](OCCO)C1 ZINC000572732003 354895826 /nfs/dbraw/zinc/89/58/26/354895826.db2.gz MJSSJOQMTAVEAE-OLZOCXBDSA-N 2 2 260.378 -0.228 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](OCCO)C1 ZINC000572732003 354895829 /nfs/dbraw/zinc/89/58/29/354895829.db2.gz MJSSJOQMTAVEAE-OLZOCXBDSA-N 2 2 260.378 -0.228 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](OCCO)C1 ZINC000572732003 354895834 /nfs/dbraw/zinc/89/58/34/354895834.db2.gz MJSSJOQMTAVEAE-OLZOCXBDSA-N 2 2 260.378 -0.228 20 0 CBADLP C[NH2+]C[C@H]1CCC[N@@H+]1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000572721827 354895860 /nfs/dbraw/zinc/89/58/60/354895860.db2.gz GSQIQPDQAWSFBC-QWHCGFSZSA-N 3 2 268.405 -0.133 20 0 CBADLP C[NH2+]C[C@H]1CCC[N@H+]1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000572721827 354895862 /nfs/dbraw/zinc/89/58/62/354895862.db2.gz GSQIQPDQAWSFBC-QWHCGFSZSA-N 3 2 268.405 -0.133 20 0 CBADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000572749319 354896619 /nfs/dbraw/zinc/89/66/19/354896619.db2.gz UWLXICBIALVQQO-DZGCQCFKSA-N 3 2 290.411 -0.034 20 0 CBADLP COC(=O)C[C@@H]1C[N@H+](CCN2CC[NH2+]CC2)CCO1 ZINC000572842639 354899208 /nfs/dbraw/zinc/89/92/08/354899208.db2.gz PEFVNVGIUYTZLU-GFCCVEGCSA-N 2 2 271.361 -0.845 20 0 CBADLP COC(=O)C[C@@H]1C[N@@H+](CCN2CC[NH2+]CC2)CCO1 ZINC000572842639 354899212 /nfs/dbraw/zinc/89/92/12/354899212.db2.gz PEFVNVGIUYTZLU-GFCCVEGCSA-N 2 2 271.361 -0.845 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC(C)(COC)C1 ZINC000571776656 354880212 /nfs/dbraw/zinc/88/02/12/354880212.db2.gz IYCZHPDAKPUGQF-LBPRGKRZSA-N 2 2 260.378 -0.106 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC(C)(COC)C1 ZINC000571776656 354880214 /nfs/dbraw/zinc/88/02/14/354880214.db2.gz IYCZHPDAKPUGQF-LBPRGKRZSA-N 2 2 260.378 -0.106 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](c2nnc[nH]2)C1 ZINC000573740142 354920640 /nfs/dbraw/zinc/92/06/40/354920640.db2.gz FLLVRMIYZXRVIK-NWDGAFQWSA-N 2 2 283.376 -0.467 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](c2nnc[nH]2)C1 ZINC000573740142 354920646 /nfs/dbraw/zinc/92/06/46/354920646.db2.gz FLLVRMIYZXRVIK-NWDGAFQWSA-N 2 2 283.376 -0.467 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000573740142 354920651 /nfs/dbraw/zinc/92/06/51/354920651.db2.gz FLLVRMIYZXRVIK-NWDGAFQWSA-N 2 2 283.376 -0.467 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000573740142 354920656 /nfs/dbraw/zinc/92/06/56/354920656.db2.gz FLLVRMIYZXRVIK-NWDGAFQWSA-N 2 2 283.376 -0.467 20 0 CBADLP C[N@@H+]1CCN(C(=O)CNC(=O)c2cccs2)[C@H](C[NH3+])C1 ZINC000573843615 354922908 /nfs/dbraw/zinc/92/29/08/354922908.db2.gz UHFRXLXVUIZYQK-SNVBAGLBSA-N 2 2 296.396 -0.421 20 0 CBADLP C[N@H+]1CCN(C(=O)CNC(=O)c2cccs2)[C@H](C[NH3+])C1 ZINC000573843615 354922910 /nfs/dbraw/zinc/92/29/10/354922910.db2.gz UHFRXLXVUIZYQK-SNVBAGLBSA-N 2 2 296.396 -0.421 20 0 CBADLP C[N@@H+]1CCN(C(=O)N[C@H]2CCSC2)[C@H](C[NH3+])C1 ZINC000574059532 354927300 /nfs/dbraw/zinc/92/73/00/354927300.db2.gz HRDGDJGJFIEQHB-VHSXEESVSA-N 2 2 258.391 -0.224 20 0 CBADLP C[N@H+]1CCN(C(=O)CCCN2C(=O)CCC2=O)[C@@H](C[NH3+])C1 ZINC000574079150 354928155 /nfs/dbraw/zinc/92/81/55/354928155.db2.gz KDVDLWYAHCVWRV-NSHDSACASA-N 2 2 296.371 -0.983 20 0 CBADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)[NH2+]C2CC2)CC1 ZINC000575402174 354935052 /nfs/dbraw/zinc/93/50/52/354935052.db2.gz MYESTYXBSCKKAD-LBPRGKRZSA-N 2 2 296.415 -0.203 20 0 CBADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C)[NH2+]C2CC2)CC1 ZINC000575402174 354935055 /nfs/dbraw/zinc/93/50/55/354935055.db2.gz MYESTYXBSCKKAD-LBPRGKRZSA-N 2 2 296.415 -0.203 20 0 CBADLP C[C@@H](NC(=O)[C@]12C[C@H]1CC[NH2+]2)[C@H](C)[NH+]1CCOCC1 ZINC000578363197 354944645 /nfs/dbraw/zinc/94/46/45/354944645.db2.gz IAEFMBJFPGNARA-CZXHOFHRSA-N 2 2 267.373 -0.036 20 0 CBADLP CC[C@@H]([NH3+])C(=O)NCC[NH+]1CCN(C(C)=O)CC1 ZINC000578504835 354947629 /nfs/dbraw/zinc/94/76/29/354947629.db2.gz UTXHOOGWOIASNB-LLVKDONJSA-N 2 2 256.350 -0.996 20 0 CBADLP C[NH2+][C@@H](C(=O)N(C)CC[NH+]1CCOCC1)c1cnn(C)c1 ZINC000578763907 354954810 /nfs/dbraw/zinc/95/48/10/354954810.db2.gz QJNADSPRSSUQOF-CYBMUJFWSA-N 2 2 295.387 -0.529 20 0 CBADLP CO[C@@H]1CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)[C@@H](C[NH3+])C1 ZINC000578867981 354956684 /nfs/dbraw/zinc/95/66/84/354956684.db2.gz JWEXCIQSSSISQJ-ZIAGYGMSSA-N 3 2 298.431 -0.411 20 0 CBADLP CO[C@@H]1CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)[C@@H](C[NH3+])C1 ZINC000578867981 354956685 /nfs/dbraw/zinc/95/66/85/354956685.db2.gz JWEXCIQSSSISQJ-ZIAGYGMSSA-N 3 2 298.431 -0.411 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000579123182 354962591 /nfs/dbraw/zinc/96/25/91/354962591.db2.gz NQAJCNSNQMRHST-SKDRFNHKSA-N 2 2 254.334 -0.355 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000579123182 354962593 /nfs/dbraw/zinc/96/25/93/354962593.db2.gz NQAJCNSNQMRHST-SKDRFNHKSA-N 2 2 254.334 -0.355 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CCC(=O)N(C)C1 ZINC000579124923 354963313 /nfs/dbraw/zinc/96/33/13/354963313.db2.gz YKGUEWRADOUVQH-NEPJUHHUSA-N 2 2 257.378 -0.148 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CCC(=O)N(C)C1 ZINC000579124923 354963315 /nfs/dbraw/zinc/96/33/15/354963315.db2.gz YKGUEWRADOUVQH-NEPJUHHUSA-N 2 2 257.378 -0.148 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@@H]1CCC(=O)N(C)C1 ZINC000579124923 354963316 /nfs/dbraw/zinc/96/33/16/354963316.db2.gz YKGUEWRADOUVQH-NEPJUHHUSA-N 2 2 257.378 -0.148 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H]1CCC(=O)N(C)C1 ZINC000579124923 354963318 /nfs/dbraw/zinc/96/33/18/354963318.db2.gz YKGUEWRADOUVQH-NEPJUHHUSA-N 2 2 257.378 -0.148 20 0 CBADLP CC[N@H+](C)C[C@H](O)CN1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000579190226 354964243 /nfs/dbraw/zinc/96/42/43/354964243.db2.gz IJLGMRMVTIHXMY-AWEZNQCLSA-N 2 2 298.431 -0.805 20 0 CBADLP CC[N@@H+](C)C[C@H](O)CN1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000579190226 354964246 /nfs/dbraw/zinc/96/42/46/354964246.db2.gz IJLGMRMVTIHXMY-AWEZNQCLSA-N 2 2 298.431 -0.805 20 0 CBADLP C[N@@H+]1CCN(C(=O)COC[C@@H]2CCCO2)[C@H](C[NH3+])C1 ZINC000579351357 354968411 /nfs/dbraw/zinc/96/84/11/354968411.db2.gz TTZNPAUNWGERGE-NEPJUHHUSA-N 2 2 271.361 -0.717 20 0 CBADLP C[N@H+]1CCN(C(=O)COC[C@@H]2CCCO2)[C@H](C[NH3+])C1 ZINC000579351357 354968414 /nfs/dbraw/zinc/96/84/14/354968414.db2.gz TTZNPAUNWGERGE-NEPJUHHUSA-N 2 2 271.361 -0.717 20 0 CBADLP COC(=O)[C@@H]1CN(C(=O)[C@H](C)[NH+]2CC(C)C2)CC[N@H+](C)C1 ZINC000579373020 354969266 /nfs/dbraw/zinc/96/92/66/354969266.db2.gz NWISGTYMIXYWHY-STQMWFEESA-N 2 2 297.399 -0.110 20 0 CBADLP COC(=O)[C@@H]1CN(C(=O)[C@H](C)[NH+]2CC(C)C2)CC[N@@H+](C)C1 ZINC000579373020 354969270 /nfs/dbraw/zinc/96/92/70/354969270.db2.gz NWISGTYMIXYWHY-STQMWFEESA-N 2 2 297.399 -0.110 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000579491417 354972099 /nfs/dbraw/zinc/97/20/99/354972099.db2.gz AXAMVVCPKCBTKU-CYBMUJFWSA-N 2 2 264.329 -0.544 20 0 CBADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+][C@H]2[C@@H]3COC[C@@H]32)C[C@H](C)O1 ZINC000579704415 354976599 /nfs/dbraw/zinc/97/65/99/354976599.db2.gz SZZKRUVMJLQTHW-XNBXPENISA-N 2 2 270.373 -0.309 20 0 CBADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+][C@H]2[C@@H]3COC[C@@H]32)C[C@H](C)O1 ZINC000579704415 354976603 /nfs/dbraw/zinc/97/66/03/354976603.db2.gz SZZKRUVMJLQTHW-XNBXPENISA-N 2 2 270.373 -0.309 20 0 CBADLP COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[NH2+][C@H]2C)C1 ZINC000579708049 354976964 /nfs/dbraw/zinc/97/69/64/354976964.db2.gz LLLVAYJPXKHXEH-YNEHKIRRSA-N 2 2 297.399 -0.014 20 0 CBADLP COC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[NH2+][C@H]2C)C1 ZINC000579708049 354976965 /nfs/dbraw/zinc/97/69/65/354976965.db2.gz LLLVAYJPXKHXEH-YNEHKIRRSA-N 2 2 297.399 -0.014 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000579758128 354978445 /nfs/dbraw/zinc/97/84/45/354978445.db2.gz FSSAJIGSVKMGEQ-UHFFFAOYSA-N 3 2 281.404 -0.086 20 0 CBADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)[C@H]2C[C@H](O)C[NH2+]2)C[C@H](C)O1 ZINC000579835580 354981030 /nfs/dbraw/zinc/98/10/30/354981030.db2.gz GXYDYTHWSLANOC-QNWHQSFQSA-N 2 2 285.388 -0.723 20 0 CBADLP C[C@@H]1C[N@H+](CCN(C)C(=O)[C@H]2C[C@H](O)C[NH2+]2)C[C@H](C)O1 ZINC000579835580 354981032 /nfs/dbraw/zinc/98/10/32/354981032.db2.gz GXYDYTHWSLANOC-QNWHQSFQSA-N 2 2 285.388 -0.723 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000579854963 354981639 /nfs/dbraw/zinc/98/16/39/354981639.db2.gz QIXSOXZNPUSBFZ-IJLUTSLNSA-N 2 2 255.362 -0.491 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000579854963 354981641 /nfs/dbraw/zinc/98/16/41/354981641.db2.gz QIXSOXZNPUSBFZ-IJLUTSLNSA-N 2 2 255.362 -0.491 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000579854963 354981644 /nfs/dbraw/zinc/98/16/44/354981644.db2.gz QIXSOXZNPUSBFZ-IJLUTSLNSA-N 2 2 255.362 -0.491 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000579854963 354981645 /nfs/dbraw/zinc/98/16/45/354981645.db2.gz QIXSOXZNPUSBFZ-IJLUTSLNSA-N 2 2 255.362 -0.491 20 0 CBADLP C[N@H+](C[C@H](O)C[NH2+]C[C@@H]1CC[C@H](C(N)=O)O1)C1CC1 ZINC000579943273 354983403 /nfs/dbraw/zinc/98/34/03/354983403.db2.gz IICPMRBLOGIQGW-GRYCIOLGSA-N 2 2 271.361 -0.936 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH2+]C[C@@H]1CC[C@H](C(N)=O)O1)C1CC1 ZINC000579943273 354983404 /nfs/dbraw/zinc/98/34/04/354983404.db2.gz IICPMRBLOGIQGW-GRYCIOLGSA-N 2 2 271.361 -0.936 20 0 CBADLP C[C@H](C(=O)N1CC[C@]2(CC[NH2+]C2)C1)[NH+]1CCN(C)CC1 ZINC000581012799 355003316 /nfs/dbraw/zinc/00/33/16/355003316.db2.gz VPXNITHJOXJSBT-HIFRSBDPSA-N 2 2 280.416 -0.166 20 0 CBADLP C[C@H](C[C@H](C)[NH3+])NC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000580323836 354993881 /nfs/dbraw/zinc/99/38/81/354993881.db2.gz LRAIGPGNUUYBOW-TUAOUCFPSA-N 2 2 271.409 -0.343 20 0 CBADLP C[C@H](C[C@H](C)[NH3+])NC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000580323836 354993884 /nfs/dbraw/zinc/99/38/84/354993884.db2.gz LRAIGPGNUUYBOW-TUAOUCFPSA-N 2 2 271.409 -0.343 20 0 CBADLP Cc1cc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)on1 ZINC000580347283 354994809 /nfs/dbraw/zinc/99/48/09/354994809.db2.gz QVECRJYSHFKHMT-KOLCDFICSA-N 2 2 250.302 -0.273 20 0 CBADLP Cc1cc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)on1 ZINC000580347283 354994810 /nfs/dbraw/zinc/99/48/10/354994810.db2.gz QVECRJYSHFKHMT-KOLCDFICSA-N 2 2 250.302 -0.273 20 0 CBADLP COC[C@@H](NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])C(C)C ZINC000580704202 354995860 /nfs/dbraw/zinc/99/58/60/354995860.db2.gz QODXZNRSTVIGEZ-VXGBXAGGSA-N 2 2 272.393 -0.058 20 0 CBADLP COC[C@@H](NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])C(C)C ZINC000580704202 354995863 /nfs/dbraw/zinc/99/58/63/354995863.db2.gz QODXZNRSTVIGEZ-VXGBXAGGSA-N 2 2 272.393 -0.058 20 0 CBADLP CO[C@@H](C[NH3+])C(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1 ZINC000580832708 355000048 /nfs/dbraw/zinc/00/00/48/355000048.db2.gz VKBTXPBHDXBMRZ-MNOVXSKESA-N 2 2 281.360 -0.791 20 0 CBADLP CCC(C)(C)NC(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000584849761 355040774 /nfs/dbraw/zinc/04/07/74/355040774.db2.gz LEZBIIJLTZKFIW-WDEREUQCSA-N 2 2 282.388 -0.465 20 0 CBADLP CCC(C)(C)NC(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000584849761 355040776 /nfs/dbraw/zinc/04/07/76/355040776.db2.gz LEZBIIJLTZKFIW-WDEREUQCSA-N 2 2 282.388 -0.465 20 0 CBADLP CNC(=O)[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)CCOC)C(C)C ZINC000582130272 355008564 /nfs/dbraw/zinc/00/85/64/355008564.db2.gz XKFDVIBSWLYMQI-NEPJUHHUSA-N 2 2 275.393 -0.714 20 0 CBADLP CNC(=O)[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)CCOC)C(C)C ZINC000582130272 355008567 /nfs/dbraw/zinc/00/85/67/355008567.db2.gz XKFDVIBSWLYMQI-NEPJUHHUSA-N 2 2 275.393 -0.714 20 0 CBADLP CNC(=O)[C@@H]([NH2+]C[C@H](O)C[N@H+](C)CCOC)C(C)C ZINC000582130273 355008603 /nfs/dbraw/zinc/00/86/03/355008603.db2.gz XKFDVIBSWLYMQI-RYUDHWBXSA-N 2 2 275.393 -0.714 20 0 CBADLP CNC(=O)[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)CCOC)C(C)C ZINC000582130273 355008605 /nfs/dbraw/zinc/00/86/05/355008605.db2.gz XKFDVIBSWLYMQI-RYUDHWBXSA-N 2 2 275.393 -0.714 20 0 CBADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CCC(=O)N(C)C)C[C@H](C)O1 ZINC000582176117 355009343 /nfs/dbraw/zinc/00/93/43/355009343.db2.gz CKIAPRFXFFTJGE-XQQFMLRXSA-N 2 2 287.404 -0.476 20 0 CBADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CCC(=O)N(C)C)C[C@H](C)O1 ZINC000582176117 355009344 /nfs/dbraw/zinc/00/93/44/355009344.db2.gz CKIAPRFXFFTJGE-XQQFMLRXSA-N 2 2 287.404 -0.476 20 0 CBADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CCC(=O)N(C)C)C[C@H](C)O1 ZINC000582176114 355009499 /nfs/dbraw/zinc/00/94/99/355009499.db2.gz CKIAPRFXFFTJGE-FRRDWIJNSA-N 2 2 287.404 -0.476 20 0 CBADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CCC(=O)N(C)C)C[C@H](C)O1 ZINC000582176114 355009500 /nfs/dbraw/zinc/00/95/00/355009500.db2.gz CKIAPRFXFFTJGE-FRRDWIJNSA-N 2 2 287.404 -0.476 20 0 CBADLP COC(=O)CCC[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000582312498 355014124 /nfs/dbraw/zinc/01/41/24/355014124.db2.gz ZUWNFFRPLHHRPY-NXEZZACHSA-N 2 2 255.318 -0.817 20 0 CBADLP COC(=O)CCC[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000582312498 355014126 /nfs/dbraw/zinc/01/41/26/355014126.db2.gz ZUWNFFRPLHHRPY-NXEZZACHSA-N 2 2 255.318 -0.817 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]2CCCC[NH2+]2)CCO1 ZINC000582303641 355014170 /nfs/dbraw/zinc/01/41/70/355014170.db2.gz GWBJFNXDFBYPOS-VXGBXAGGSA-N 2 2 255.362 -0.035 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2CCCC[NH2+]2)CCO1 ZINC000582303641 355014173 /nfs/dbraw/zinc/01/41/73/355014173.db2.gz GWBJFNXDFBYPOS-VXGBXAGGSA-N 2 2 255.362 -0.035 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000583572570 355020568 /nfs/dbraw/zinc/02/05/68/355020568.db2.gz PEKCRQYJUMBKAN-OLZOCXBDSA-N 2 2 284.404 -0.165 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000583572570 355020573 /nfs/dbraw/zinc/02/05/73/355020573.db2.gz PEKCRQYJUMBKAN-OLZOCXBDSA-N 2 2 284.404 -0.165 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000583572570 355020578 /nfs/dbraw/zinc/02/05/78/355020578.db2.gz PEKCRQYJUMBKAN-OLZOCXBDSA-N 2 2 284.404 -0.165 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000583572570 355020581 /nfs/dbraw/zinc/02/05/81/355020581.db2.gz PEKCRQYJUMBKAN-OLZOCXBDSA-N 2 2 284.404 -0.165 20 0 CBADLP C[NH2+]C[C@@](C)(O)C[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000583636126 355022623 /nfs/dbraw/zinc/02/26/23/355022623.db2.gz JUZSNBFYIQKGQO-GFCCVEGCSA-N 2 2 269.349 -0.340 20 0 CBADLP Cc1noc(CCC[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)n1 ZINC000583883019 355024546 /nfs/dbraw/zinc/02/45/46/355024546.db2.gz CMTHMFVKZIZXSY-MNOVXSKESA-N 2 2 279.344 -0.446 20 0 CBADLP C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000583993193 355025936 /nfs/dbraw/zinc/02/59/36/355025936.db2.gz FRRNADPBJNLVET-GHMZBOCLSA-N 2 2 284.404 -0.362 20 0 CBADLP C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000583993193 355025939 /nfs/dbraw/zinc/02/59/39/355025939.db2.gz FRRNADPBJNLVET-GHMZBOCLSA-N 2 2 284.404 -0.362 20 0 CBADLP NC(=O)NC(=O)CC[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000591735102 355112014 /nfs/dbraw/zinc/11/20/14/355112014.db2.gz ROSHZMLLJIBWNA-JTQLQIEISA-N 2 2 254.334 -0.355 20 0 CBADLP NC(=O)NC(=O)CC[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000591735102 355112018 /nfs/dbraw/zinc/11/20/18/355112018.db2.gz ROSHZMLLJIBWNA-JTQLQIEISA-N 2 2 254.334 -0.355 20 0 CBADLP CN(C)C(=O)C[NH+]1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC000591101983 355091836 /nfs/dbraw/zinc/09/18/36/355091836.db2.gz BEMDLUFLQMLLME-UHFFFAOYSA-N 2 2 298.431 -0.049 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)[C@@H]2CC[NH+](C)C2)CCO1 ZINC000591452662 355095383 /nfs/dbraw/zinc/09/53/83/355095383.db2.gz OIRHCXGCRWHBHJ-NWDGAFQWSA-N 2 2 255.362 -0.225 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)[C@@H]2CC[NH+](C)C2)CCO1 ZINC000591452662 355095385 /nfs/dbraw/zinc/09/53/85/355095385.db2.gz OIRHCXGCRWHBHJ-NWDGAFQWSA-N 2 2 255.362 -0.225 20 0 CBADLP C[C@H]1C[NH+](CCNC(=O)[C@@H]2CC[N@H+](C)C2)CCO1 ZINC000591452662 355095387 /nfs/dbraw/zinc/09/53/87/355095387.db2.gz OIRHCXGCRWHBHJ-NWDGAFQWSA-N 2 2 255.362 -0.225 20 0 CBADLP C[C@H]1C[NH+](CCNC(=O)[C@@H]2CC[N@@H+](C)C2)CCO1 ZINC000591452662 355095388 /nfs/dbraw/zinc/09/53/88/355095388.db2.gz OIRHCXGCRWHBHJ-NWDGAFQWSA-N 2 2 255.362 -0.225 20 0 CBADLP COC(=O)[C@H]1C[C@H](O)C[N@H+](CCn2cc[nH+]c2)C1 ZINC000592193352 355137668 /nfs/dbraw/zinc/13/76/68/355137668.db2.gz FEOCZPYYEIOEAA-QWRGUYRKSA-N 2 2 253.302 -0.261 20 0 CBADLP COC(=O)[C@H]1C[C@H](O)C[N@@H+](CCn2cc[nH+]c2)C1 ZINC000592193352 355137671 /nfs/dbraw/zinc/13/76/71/355137671.db2.gz FEOCZPYYEIOEAA-QWRGUYRKSA-N 2 2 253.302 -0.261 20 0 CBADLP COC(=O)C[C@H]([NH3+])C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000592229087 355144796 /nfs/dbraw/zinc/14/47/96/355144796.db2.gz JARHEDWKXZLOLL-MNOVXSKESA-N 2 2 292.339 -0.333 20 0 CBADLP COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H](C)[NH3+])C1 ZINC000592278483 355146393 /nfs/dbraw/zinc/14/63/93/355146393.db2.gz WTRGHKDXDNGIKD-UWVGGRQHSA-N 2 2 257.334 -0.665 20 0 CBADLP COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@H](C)[NH3+])C1 ZINC000592278483 355146395 /nfs/dbraw/zinc/14/63/95/355146395.db2.gz WTRGHKDXDNGIKD-UWVGGRQHSA-N 2 2 257.334 -0.665 20 0 CBADLP COC(=O)[C@@H]1C[NH2+]CCCN1CC[N@@H+]1CCO[C@H](C)C1 ZINC000592487548 355157151 /nfs/dbraw/zinc/15/71/51/355157151.db2.gz UPVTZEDVBLDORU-OLZOCXBDSA-N 2 2 285.388 -0.456 20 0 CBADLP COC(=O)[C@@H]1C[NH2+]CCCN1CC[N@H+]1CCO[C@H](C)C1 ZINC000592487548 355157155 /nfs/dbraw/zinc/15/71/55/355157155.db2.gz UPVTZEDVBLDORU-OLZOCXBDSA-N 2 2 285.388 -0.456 20 0 CBADLP COC(=O)CCNC(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000592489003 355157476 /nfs/dbraw/zinc/15/74/76/355157476.db2.gz AGHKWHOMYYFRJP-AWEZNQCLSA-N 2 2 283.372 -0.259 20 0 CBADLP COC(=O)CCNC(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000592489003 355157477 /nfs/dbraw/zinc/15/74/77/355157477.db2.gz AGHKWHOMYYFRJP-AWEZNQCLSA-N 2 2 283.372 -0.259 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[NH2+]C[C@H]2C(=O)OC)C1 ZINC000592962713 355187601 /nfs/dbraw/zinc/18/76/01/355187601.db2.gz HNBSEFIJQFEQCT-NWDGAFQWSA-N 2 2 299.371 -0.929 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)N2CCC[NH2+]C[C@H]2C(=O)OC)C1 ZINC000592962713 355187604 /nfs/dbraw/zinc/18/76/04/355187604.db2.gz HNBSEFIJQFEQCT-NWDGAFQWSA-N 2 2 299.371 -0.929 20 0 CBADLP COC(=O)[C@](C)(NC(=O)[C@H]([NH3+])CC[NH+](C)C)C1CC1 ZINC000593902425 355226158 /nfs/dbraw/zinc/22/61/58/355226158.db2.gz SWGRRQBIVBVEAY-ZWNOBZJWSA-N 2 2 271.361 -0.277 20 0 CBADLP COC[C@](C)(CC(=O)OC)NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000593905419 355226745 /nfs/dbraw/zinc/22/67/45/355226745.db2.gz GASLVVNCQDEYCZ-MFKMUULPSA-N 2 2 289.376 -0.650 20 0 CBADLP COC(=O)[C@H]1CCCCN1C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000593907138 355226791 /nfs/dbraw/zinc/22/67/91/355226791.db2.gz MTXZQHHBVUITRY-WDEREUQCSA-N 2 2 271.361 -0.181 20 0 CBADLP COC(=O)[C@@H]1CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C[C@H](C)O1 ZINC000593917932 355230673 /nfs/dbraw/zinc/23/06/73/355230673.db2.gz MCBXLWPCTKQIPM-AXFHLTTASA-N 2 2 287.360 -0.946 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](O)C[C@@H](C(=O)OC)C1 ZINC000594016429 355235507 /nfs/dbraw/zinc/23/55/07/355235507.db2.gz XAYQODHSWGTIAM-UTUOFQBUSA-N 2 2 274.361 -0.845 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](O)C[C@@H](C(=O)OC)C1 ZINC000594016429 355235510 /nfs/dbraw/zinc/23/55/10/355235510.db2.gz XAYQODHSWGTIAM-UTUOFQBUSA-N 2 2 274.361 -0.845 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](O)C[C@@H](C(=O)OC)C1 ZINC000594016429 355235512 /nfs/dbraw/zinc/23/55/12/355235512.db2.gz XAYQODHSWGTIAM-UTUOFQBUSA-N 2 2 274.361 -0.845 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](O)C[C@@H](C(=O)OC)C1 ZINC000594016429 355235515 /nfs/dbraw/zinc/23/55/15/355235515.db2.gz XAYQODHSWGTIAM-UTUOFQBUSA-N 2 2 274.361 -0.845 20 0 CBADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](CCO[C@H]3CC3(F)F)CCN2C1=O ZINC000594876042 355265629 /nfs/dbraw/zinc/26/56/29/355265629.db2.gz AHSVNUNQODRBTB-BBBLOLIVSA-N 2 2 275.299 -0.346 20 0 CBADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](CCO[C@H]3CC3(F)F)CCN2C1=O ZINC000594876042 355265632 /nfs/dbraw/zinc/26/56/32/355265632.db2.gz AHSVNUNQODRBTB-BBBLOLIVSA-N 2 2 275.299 -0.346 20 0 CBADLP CC1CCN(C(=O)C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC1 ZINC000594874314 355265742 /nfs/dbraw/zinc/26/57/42/355265742.db2.gz VLOWMNUMBHGIDZ-QWHCGFSZSA-N 2 2 294.399 -0.511 20 0 CBADLP CC1CCN(C(=O)C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC1 ZINC000594874314 355265744 /nfs/dbraw/zinc/26/57/44/355265744.db2.gz VLOWMNUMBHGIDZ-QWHCGFSZSA-N 2 2 294.399 -0.511 20 0 CBADLP COC(=O)CNC(=O)[C@H]1CCC[N@@H+]1CCn1cc[nH+]c1C ZINC000595553620 355294856 /nfs/dbraw/zinc/29/48/56/355294856.db2.gz ZZYBKYDBRGPPHU-GFCCVEGCSA-N 2 2 294.355 -0.055 20 0 CBADLP COC(=O)CNC(=O)[C@H]1CCC[N@H+]1CCn1cc[nH+]c1C ZINC000595553620 355294862 /nfs/dbraw/zinc/29/48/62/355294862.db2.gz ZZYBKYDBRGPPHU-GFCCVEGCSA-N 2 2 294.355 -0.055 20 0 CBADLP COC(=O)c1cn([C@@H]2CC[N@H+](C[C@H]3C[NH2+]CCO3)C2)nn1 ZINC000595890822 355314476 /nfs/dbraw/zinc/31/44/76/355314476.db2.gz FJKCUQZWILOLDV-GHMZBOCLSA-N 2 2 295.343 -0.700 20 0 CBADLP COC(=O)c1cn([C@@H]2CC[N@@H+](C[C@H]3C[NH2+]CCO3)C2)nn1 ZINC000595890822 355314477 /nfs/dbraw/zinc/31/44/77/355314477.db2.gz FJKCUQZWILOLDV-GHMZBOCLSA-N 2 2 295.343 -0.700 20 0 CBADLP COCC[N@@H+](CC(=O)OC)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000595893154 355315677 /nfs/dbraw/zinc/31/56/77/355315677.db2.gz QLRLPGGUNCIJEC-LLVKDONJSA-N 2 2 272.345 -0.371 20 0 CBADLP COCC[N@H+](CC(=O)OC)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000595893154 355315680 /nfs/dbraw/zinc/31/56/80/355315680.db2.gz QLRLPGGUNCIJEC-LLVKDONJSA-N 2 2 272.345 -0.371 20 0 CBADLP Cn1c[nH+]cc1CCC[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000595903264 355316769 /nfs/dbraw/zinc/31/67/69/355316769.db2.gz QDPKCVNQFHRFQT-OLZOCXBDSA-N 3 2 277.372 -0.404 20 0 CBADLP Cn1c[nH+]cc1CCC[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000595903264 355316772 /nfs/dbraw/zinc/31/67/72/355316772.db2.gz QDPKCVNQFHRFQT-OLZOCXBDSA-N 3 2 277.372 -0.404 20 0 CBADLP Cn1cncc1CCC[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000595903264 355316774 /nfs/dbraw/zinc/31/67/74/355316774.db2.gz QDPKCVNQFHRFQT-OLZOCXBDSA-N 2 2 277.372 -0.404 20 0 CBADLP Cn1cncc1CCC[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000595903264 355316776 /nfs/dbraw/zinc/31/67/76/355316776.db2.gz QDPKCVNQFHRFQT-OLZOCXBDSA-N 2 2 277.372 -0.404 20 0 CBADLP CCc1nocc1C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000595903310 355316895 /nfs/dbraw/zinc/31/68/95/355316895.db2.gz TXOWXPRFNOVPCW-GHMZBOCLSA-N 2 2 264.329 -0.019 20 0 CBADLP CCc1nocc1C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000595903310 355316897 /nfs/dbraw/zinc/31/68/97/355316897.db2.gz TXOWXPRFNOVPCW-GHMZBOCLSA-N 2 2 264.329 -0.019 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000595905257 355317698 /nfs/dbraw/zinc/31/76/98/355317698.db2.gz AQXYFEULHMFYEO-GHMZBOCLSA-N 2 2 286.376 -0.388 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000595905257 355317700 /nfs/dbraw/zinc/31/77/00/355317700.db2.gz AQXYFEULHMFYEO-GHMZBOCLSA-N 2 2 286.376 -0.388 20 0 CBADLP C[NH+](C)CCC[C@@H]1C[N@H+](CC(=O)NC(N)=O)CCO1 ZINC000595904794 355317824 /nfs/dbraw/zinc/31/78/24/355317824.db2.gz LCZLELBDUCCBLA-SNVBAGLBSA-N 2 2 272.349 -0.776 20 0 CBADLP C[NH+](C)CCC[C@@H]1C[N@@H+](CC(=O)NC(N)=O)CCO1 ZINC000595904794 355317825 /nfs/dbraw/zinc/31/78/25/355317825.db2.gz LCZLELBDUCCBLA-SNVBAGLBSA-N 2 2 272.349 -0.776 20 0 CBADLP COC(=O)C[C@H]([NH3+])C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000595939810 355322376 /nfs/dbraw/zinc/32/23/76/355322376.db2.gz LPWQJYIMUGOPQJ-AXFHLTTASA-N 2 2 287.360 -0.898 20 0 CBADLP COC(=O)C[C@H]([NH3+])C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000595939810 355322378 /nfs/dbraw/zinc/32/23/78/355322378.db2.gz LPWQJYIMUGOPQJ-AXFHLTTASA-N 2 2 287.360 -0.898 20 0 CBADLP COC(=O)C[C@@H](CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)C1CC1 ZINC000595972269 355332102 /nfs/dbraw/zinc/33/21/02/355332102.db2.gz KONZTGPPELPWRH-RYUDHWBXSA-N 2 2 285.388 -0.029 20 0 CBADLP COC(=O)C[C@@H](CNC(=O)[C@H]([NH3+])CC[NH+](C)C)C1CC1 ZINC000595972268 355332236 /nfs/dbraw/zinc/33/22/36/355332236.db2.gz KONZTGPPELPWRH-NWDGAFQWSA-N 2 2 285.388 -0.029 20 0 CBADLP COC(=O)C[C@@]1([NH2+]C[C@H](O)C[N@H+](C)C(C)C)CCOC1 ZINC000595442204 355287000 /nfs/dbraw/zinc/28/70/00/355287000.db2.gz QGVCDTXGHWGVNQ-JSGCOSHPSA-N 2 2 288.388 -0.001 20 0 CBADLP COC(=O)C[C@@]1([NH2+]C[C@H](O)C[N@@H+](C)C(C)C)CCOC1 ZINC000595442204 355287003 /nfs/dbraw/zinc/28/70/03/355287003.db2.gz QGVCDTXGHWGVNQ-JSGCOSHPSA-N 2 2 288.388 -0.001 20 0 CBADLP CNC(=O)NC(=O)CC[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000599472409 355493729 /nfs/dbraw/zinc/49/37/29/355493729.db2.gz GBVORFBNROCWCH-UHFFFAOYSA-N 2 2 298.387 -0.371 20 0 CBADLP COC(=O)[C@]1(OC)CC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000599558908 355499138 /nfs/dbraw/zinc/49/91/38/355499138.db2.gz PONROHJAUMLJIG-JSGCOSHPSA-N 2 2 288.388 -0.049 20 0 CBADLP COC(=O)[C@]1(OC)CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000599558908 355499140 /nfs/dbraw/zinc/49/91/40/355499140.db2.gz PONROHJAUMLJIG-JSGCOSHPSA-N 2 2 288.388 -0.049 20 0 CBADLP COC(=O)[C@]1(OC)CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C1 ZINC000599558908 355499144 /nfs/dbraw/zinc/49/91/44/355499144.db2.gz PONROHJAUMLJIG-JSGCOSHPSA-N 2 2 288.388 -0.049 20 0 CBADLP COC(=O)[C@]1(OC)CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000599558908 355499146 /nfs/dbraw/zinc/49/91/46/355499146.db2.gz PONROHJAUMLJIG-JSGCOSHPSA-N 2 2 288.388 -0.049 20 0 CBADLP C[NH+]1CCN(CC(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000599312267 355478762 /nfs/dbraw/zinc/47/87/62/355478762.db2.gz FCGYAGXRBITJKN-UHFFFAOYSA-N 2 2 298.431 -0.538 20 0 CBADLP COC(=O)CN(C)C(=O)CC[N@@H+]1C[C@H]([NH3+])C[C@@H]1C ZINC000601330563 355587629 /nfs/dbraw/zinc/58/76/29/355587629.db2.gz UVSHUIHJFPSLSD-VHSXEESVSA-N 2 2 257.334 -0.571 20 0 CBADLP COC(=O)CN(C)C(=O)CC[N@H+]1C[C@H]([NH3+])C[C@@H]1C ZINC000601330563 355587634 /nfs/dbraw/zinc/58/76/34/355587634.db2.gz UVSHUIHJFPSLSD-VHSXEESVSA-N 2 2 257.334 -0.571 20 0 CBADLP COC[C@@H](C)NC(=O)NC(=O)C[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000601334061 355588421 /nfs/dbraw/zinc/58/84/21/355588421.db2.gz WOZYIZCNAWLGQL-GYSYKLTISA-N 2 2 298.387 -0.421 20 0 CBADLP CNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000601334520 355588453 /nfs/dbraw/zinc/58/84/53/355588453.db2.gz MDRSPOPTQCAPQL-NXEZZACHSA-N 2 2 254.334 -0.484 20 0 CBADLP CNC(=O)NC(=O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000601334520 355588456 /nfs/dbraw/zinc/58/84/56/355588456.db2.gz MDRSPOPTQCAPQL-NXEZZACHSA-N 2 2 254.334 -0.484 20 0 CBADLP CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601335847 355588698 /nfs/dbraw/zinc/58/86/98/355588698.db2.gz YMAFLKWTRUJMHX-QWRGUYRKSA-N 2 2 268.361 -0.094 20 0 CBADLP CCNC(=O)NC(=O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601335847 355588701 /nfs/dbraw/zinc/58/87/01/355588701.db2.gz YMAFLKWTRUJMHX-QWRGUYRKSA-N 2 2 268.361 -0.094 20 0 CBADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000601004974 355575616 /nfs/dbraw/zinc/57/56/16/355575616.db2.gz HINISULXYNXNDT-STQMWFEESA-N 2 2 269.389 -0.004 20 0 CBADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000601004974 355575620 /nfs/dbraw/zinc/57/56/20/355575620.db2.gz HINISULXYNXNDT-STQMWFEESA-N 2 2 269.389 -0.004 20 0 CBADLP COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000601146680 355578223 /nfs/dbraw/zinc/57/82/23/355578223.db2.gz MWLYMNZVQFOPAS-UWVGGRQHSA-N 2 2 271.361 -0.264 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3COCCO3)C2)CC1 ZINC000602201873 355640229 /nfs/dbraw/zinc/64/02/29/355640229.db2.gz OIQORUOMDUSPSU-JSGCOSHPSA-N 2 2 297.399 -0.314 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3COCCO3)C2)CC1 ZINC000602201873 355640233 /nfs/dbraw/zinc/64/02/33/355640233.db2.gz OIQORUOMDUSPSU-JSGCOSHPSA-N 2 2 297.399 -0.314 20 0 CBADLP COC(=O)[C@@H]1CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C[C@@H](C)O1 ZINC000602548111 355660270 /nfs/dbraw/zinc/66/02/70/355660270.db2.gz MCBXLWPCTKQIPM-MXWKQRLJSA-N 2 2 287.360 -0.946 20 0 CBADLP COC(=O)CNC(=O)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000602747944 355668843 /nfs/dbraw/zinc/66/88/43/355668843.db2.gz FCUNWDIORXMGDU-UHFFFAOYSA-N 2 2 269.345 -0.508 20 0 CBADLP COc1c(C)[nH+]cnc1N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000601983055 355625135 /nfs/dbraw/zinc/62/51/35/355625135.db2.gz KNGFBQBQMYXHBS-ZJUUUORDSA-N 2 2 277.328 -0.458 20 0 CBADLP COC(=O)CNC(=O)C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000602749805 355669876 /nfs/dbraw/zinc/66/98/76/355669876.db2.gz MBXXNVDLOVBSGK-UWVGGRQHSA-N 2 2 257.334 -0.652 20 0 CBADLP COC(=O)CNC(=O)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000602749805 355669879 /nfs/dbraw/zinc/66/98/79/355669879.db2.gz MBXXNVDLOVBSGK-UWVGGRQHSA-N 2 2 257.334 -0.652 20 0 CBADLP COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1CCc1c[nH+]cn1C ZINC000602815560 355673480 /nfs/dbraw/zinc/67/34/80/355673480.db2.gz LQMLMVINQQRGAA-QWRGUYRKSA-N 2 2 253.302 -0.429 20 0 CBADLP COC(=O)[C@@H]1C[C@H](O)C[N@H+]1CCc1c[nH+]cn1C ZINC000602815560 355673483 /nfs/dbraw/zinc/67/34/83/355673483.db2.gz LQMLMVINQQRGAA-QWRGUYRKSA-N 2 2 253.302 -0.429 20 0 CBADLP CN(C)c1[nH+]cc(CNC(=O)CN2CC[NH+](C)CC2)n1C ZINC000605892881 355737946 /nfs/dbraw/zinc/73/79/46/355737946.db2.gz FVJZQMNLWFNANZ-UHFFFAOYSA-N 2 2 294.403 -0.650 20 0 CBADLP COC(=O)CNC(=O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609260225 355767551 /nfs/dbraw/zinc/76/75/51/355767551.db2.gz LUGMHWRPUVFOTR-LLVKDONJSA-N 2 2 280.328 -0.191 20 0 CBADLP COC(=O)CNC(=O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609260225 355767554 /nfs/dbraw/zinc/76/75/54/355767554.db2.gz LUGMHWRPUVFOTR-LLVKDONJSA-N 2 2 280.328 -0.191 20 0 CBADLP C[C@H](CO)NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000604208173 355723439 /nfs/dbraw/zinc/72/34/39/355723439.db2.gz HQOGRUDNFJOYJZ-NEPJUHHUSA-N 2 2 284.404 -0.165 20 0 CBADLP C[C@H](CO)NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000604208173 355723442 /nfs/dbraw/zinc/72/34/42/355723442.db2.gz HQOGRUDNFJOYJZ-NEPJUHHUSA-N 2 2 284.404 -0.165 20 0 CBADLP COC[C@H](OC)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000611972971 355817746 /nfs/dbraw/zinc/81/77/46/355817746.db2.gz DWONHNWZQDZWBD-ZDUSSCGKSA-N 2 2 287.404 -0.210 20 0 CBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C1([NH+](C)C)CC1 ZINC000612061448 355821824 /nfs/dbraw/zinc/82/18/24/355821824.db2.gz HAGPJKGBFARBQO-GFCCVEGCSA-N 2 2 285.388 -0.768 20 0 CBADLP C[C@@H](NC(=O)C1([NH+](C)C)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000612671338 355845441 /nfs/dbraw/zinc/84/54/41/355845441.db2.gz SCPHDIMKMAIKTF-GHMZBOCLSA-N 2 2 255.362 -0.084 20 0 CBADLP C[C@@H](NC(=O)C1([NH+](C)C)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000612671338 355845442 /nfs/dbraw/zinc/84/54/42/355845442.db2.gz SCPHDIMKMAIKTF-GHMZBOCLSA-N 2 2 255.362 -0.084 20 0 CBADLP C[NH+](C)C[C@@](C)(O)CNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000612871986 355854254 /nfs/dbraw/zinc/85/42/54/355854254.db2.gz RNIOAKTUXNMEIV-HZMBPMFUSA-N 2 2 280.372 -0.057 20 0 CBADLP C[NH+](C)C[C@@](C)(O)CNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000612871986 355854257 /nfs/dbraw/zinc/85/42/57/355854257.db2.gz RNIOAKTUXNMEIV-HZMBPMFUSA-N 2 2 280.372 -0.057 20 0 CBADLP C[NH+](C)C1(C(=O)N2CC[N@H+](CCO)C(C)(C)C2)CC1 ZINC000613776269 355910990 /nfs/dbraw/zinc/91/09/90/355910990.db2.gz FUYLCOFQJGRPRP-UHFFFAOYSA-N 2 2 269.389 -0.004 20 0 CBADLP C[NH+](C)C1(C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)CC1 ZINC000613776269 355910994 /nfs/dbraw/zinc/91/09/94/355910994.db2.gz FUYLCOFQJGRPRP-UHFFFAOYSA-N 2 2 269.389 -0.004 20 0 CBADLP C[NH+](C)C[C@]1(O)CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000614063776 355932315 /nfs/dbraw/zinc/93/23/15/355932315.db2.gz HNHHUHNNJVDGTD-CYBMUJFWSA-N 2 2 266.345 -0.202 20 0 CBADLP CC[N@H+](CCO)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000613582728 355896737 /nfs/dbraw/zinc/89/67/37/355896737.db2.gz KWPPZBGSUDSYMA-VXGBXAGGSA-N 2 2 280.372 -0.046 20 0 CBADLP CC[N@@H+](CCO)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000613582728 355896742 /nfs/dbraw/zinc/89/67/42/355896742.db2.gz KWPPZBGSUDSYMA-VXGBXAGGSA-N 2 2 280.372 -0.046 20 0 CBADLP C[NH+](C)C[C@H](CO)NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000614842623 355988089 /nfs/dbraw/zinc/98/80/89/355988089.db2.gz QITUJHYULBDJNS-NXEZZACHSA-N 2 2 266.345 -0.447 20 0 CBADLP C[NH+](C)C[C@H](CO)NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000614842623 355988091 /nfs/dbraw/zinc/98/80/91/355988091.db2.gz QITUJHYULBDJNS-NXEZZACHSA-N 2 2 266.345 -0.447 20 0 CBADLP C[NH+](C)C[C@@H](CO)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000614849757 355989799 /nfs/dbraw/zinc/98/97/99/355989799.db2.gz NOKVSIDREIHZJA-QWRGUYRKSA-N 2 2 266.345 -0.516 20 0 CBADLP C[NH+](C)C[C@H](CO)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000614851392 355991260 /nfs/dbraw/zinc/99/12/60/355991260.db2.gz IKXADOBZPGNZRM-GHMZBOCLSA-N 2 2 266.345 -0.516 20 0 CBADLP C[C@H](CC(=O)N[C@H](CO)C[NH+](C)C)n1cc[nH+]c1 ZINC000614859045 355995391 /nfs/dbraw/zinc/99/53/91/355995391.db2.gz VKFYYYHAILODEI-MNOVXSKESA-N 2 2 254.334 -0.127 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+]3CCN2CCC3)C1 ZINC000614507059 355965894 /nfs/dbraw/zinc/96/58/94/355965894.db2.gz LOTVDJJOYDCECI-KGLIPLIRSA-N 2 2 296.415 -0.787 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+]3CCN2CCC3)C1 ZINC000614507059 355965895 /nfs/dbraw/zinc/96/58/95/355965895.db2.gz LOTVDJJOYDCECI-KGLIPLIRSA-N 2 2 296.415 -0.787 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000614507059 355965896 /nfs/dbraw/zinc/96/58/96/355965896.db2.gz LOTVDJJOYDCECI-KGLIPLIRSA-N 2 2 296.415 -0.787 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)C1 ZINC000614507059 355965897 /nfs/dbraw/zinc/96/58/97/355965897.db2.gz LOTVDJJOYDCECI-KGLIPLIRSA-N 2 2 296.415 -0.787 20 0 CBADLP CC[N@@H+]1CCOC[C@H]1C(=O)N1CC(C[NH+](C)C)C1 ZINC000615504767 356037089 /nfs/dbraw/zinc/03/70/89/356037089.db2.gz WGYCNQNWLUKDTR-LBPRGKRZSA-N 2 2 255.362 -0.273 20 0 CBADLP CC[N@H+]1CCOC[C@H]1C(=O)N1CC(C[NH+](C)C)C1 ZINC000615504767 356037096 /nfs/dbraw/zinc/03/70/96/356037096.db2.gz WGYCNQNWLUKDTR-LBPRGKRZSA-N 2 2 255.362 -0.273 20 0 CBADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)C2 ZINC000615080265 356008842 /nfs/dbraw/zinc/00/88/42/356008842.db2.gz QMDOXSWKCMNWGA-SWHYSGLUSA-N 2 2 292.383 -0.044 20 0 CBADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)CC2 ZINC000615080265 356008845 /nfs/dbraw/zinc/00/88/45/356008845.db2.gz QMDOXSWKCMNWGA-SWHYSGLUSA-N 2 2 292.383 -0.044 20 0 CBADLP C[C@@H]1C[N@H+](CCO)CCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000616153876 356068798 /nfs/dbraw/zinc/06/87/98/356068798.db2.gz CTPWMUMXUHKWOY-OLZOCXBDSA-N 2 2 292.383 -0.030 20 0 CBADLP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000616153876 356068802 /nfs/dbraw/zinc/06/88/02/356068802.db2.gz CTPWMUMXUHKWOY-OLZOCXBDSA-N 2 2 292.383 -0.030 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]2C[NH+](C)CCO2)[C@@H](C)CO1 ZINC000617731175 356152579 /nfs/dbraw/zinc/15/25/79/356152579.db2.gz WJLLFYYBLODXDP-YNEHKIRRSA-N 2 2 285.388 -0.458 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2C[NH+](C)CCO2)[C@@H](C)CO1 ZINC000617731175 356152581 /nfs/dbraw/zinc/15/25/81/356152581.db2.gz WJLLFYYBLODXDP-YNEHKIRRSA-N 2 2 285.388 -0.458 20 0 CBADLP C[C@@H]1C[NH+](CCNC(=O)[C@H]2C[N@H+](C)CCO2)[C@@H](C)CO1 ZINC000617731175 356152582 /nfs/dbraw/zinc/15/25/82/356152582.db2.gz WJLLFYYBLODXDP-YNEHKIRRSA-N 2 2 285.388 -0.458 20 0 CBADLP C[C@@H]1C[NH+](CCNC(=O)[C@H]2C[N@@H+](C)CCO2)[C@@H](C)CO1 ZINC000617731175 356152584 /nfs/dbraw/zinc/15/25/84/356152584.db2.gz WJLLFYYBLODXDP-YNEHKIRRSA-N 2 2 285.388 -0.458 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C[C@@H]1CC(=O)N1 ZINC000617762717 356155156 /nfs/dbraw/zinc/15/51/56/356155156.db2.gz XBRRKYGJEIFJRO-LLVKDONJSA-N 2 2 270.377 -0.735 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C[C@@H]1CC(=O)N1 ZINC000617762717 356155158 /nfs/dbraw/zinc/15/51/58/356155158.db2.gz XBRRKYGJEIFJRO-LLVKDONJSA-N 2 2 270.377 -0.735 20 0 CBADLP CN1C(=O)CC[C@H]1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617765131 356155436 /nfs/dbraw/zinc/15/54/36/356155436.db2.gz UXAUNEPDAIQFJN-LBPRGKRZSA-N 2 2 284.404 -0.393 20 0 CBADLP CN1C(=O)CC[C@H]1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617765131 356155441 /nfs/dbraw/zinc/15/54/41/356155441.db2.gz UXAUNEPDAIQFJN-LBPRGKRZSA-N 2 2 284.404 -0.393 20 0 CBADLP Cn1ncc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1N ZINC000617765184 356155659 /nfs/dbraw/zinc/15/56/59/356155659.db2.gz WQSOPRAALPIJQP-UHFFFAOYSA-N 2 2 282.392 -0.384 20 0 CBADLP Cn1ncc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1N ZINC000617765184 356155662 /nfs/dbraw/zinc/15/56/62/356155662.db2.gz WQSOPRAALPIJQP-UHFFFAOYSA-N 2 2 282.392 -0.384 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1CCNC1=O ZINC000617762167 356155750 /nfs/dbraw/zinc/15/57/50/356155750.db2.gz IZTFBXPWNUZCGN-LLVKDONJSA-N 2 2 270.377 -0.878 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1CCNC1=O ZINC000617762167 356155753 /nfs/dbraw/zinc/15/57/53/356155753.db2.gz IZTFBXPWNUZCGN-LLVKDONJSA-N 2 2 270.377 -0.878 20 0 CBADLP Cn1nncc1CC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617762708 356156009 /nfs/dbraw/zinc/15/60/09/356156009.db2.gz WURDYGQIPDLTKH-UHFFFAOYSA-N 2 2 282.392 -0.643 20 0 CBADLP Cn1nncc1CC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617762708 356156011 /nfs/dbraw/zinc/15/60/11/356156011.db2.gz WURDYGQIPDLTKH-UHFFFAOYSA-N 2 2 282.392 -0.643 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C1(O)CCC1 ZINC000617765215 356156368 /nfs/dbraw/zinc/15/63/68/356156368.db2.gz XQHADOPRLWBWNV-UHFFFAOYSA-N 2 2 257.378 -0.099 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C1(O)CCC1 ZINC000617765215 356156370 /nfs/dbraw/zinc/15/63/70/356156370.db2.gz XQHADOPRLWBWNV-UHFFFAOYSA-N 2 2 257.378 -0.099 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1nnc[nH]1 ZINC000617765844 356157140 /nfs/dbraw/zinc/15/71/40/356157140.db2.gz SKXLKIOUBUTXBV-UHFFFAOYSA-N 2 2 254.338 -0.582 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1nnc[nH]1 ZINC000617765844 356157142 /nfs/dbraw/zinc/15/71/42/356157142.db2.gz SKXLKIOUBUTXBV-UHFFFAOYSA-N 2 2 254.338 -0.582 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ncn[nH]1 ZINC000617765844 356157144 /nfs/dbraw/zinc/15/71/44/356157144.db2.gz SKXLKIOUBUTXBV-UHFFFAOYSA-N 2 2 254.338 -0.582 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ncn[nH]1 ZINC000617765844 356157147 /nfs/dbraw/zinc/15/71/47/356157147.db2.gz SKXLKIOUBUTXBV-UHFFFAOYSA-N 2 2 254.338 -0.582 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cc1cc[nH]n1 ZINC000617766375 356157219 /nfs/dbraw/zinc/15/72/19/356157219.db2.gz IDGMKZUYPQBCNH-UHFFFAOYSA-N 2 2 267.377 -0.048 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cc1cc[nH]n1 ZINC000617766375 356157222 /nfs/dbraw/zinc/15/72/22/356157222.db2.gz IDGMKZUYPQBCNH-UHFFFAOYSA-N 2 2 267.377 -0.048 20 0 CBADLP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)CCn1cc[nH+]c1 ZINC000618304927 356185660 /nfs/dbraw/zinc/18/56/60/356185660.db2.gz DGZHQDRJXBVNEG-UHFFFAOYSA-N 2 2 295.387 -0.248 20 0 CBADLP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)Cn1cc[nH+]c1 ZINC000618306352 356186631 /nfs/dbraw/zinc/18/66/31/356186631.db2.gz ZSZQATGMAXVWMU-UHFFFAOYSA-N 2 2 281.360 -0.639 20 0 CBADLP CC[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H](C)[NH2+]1 ZINC000620903400 356251915 /nfs/dbraw/zinc/25/19/15/356251915.db2.gz PZWIUSMKSKTHLV-TUAOUCFPSA-N 2 2 255.362 -0.084 20 0 CBADLP CC[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H](C)[NH2+]1 ZINC000620903400 356251921 /nfs/dbraw/zinc/25/19/21/356251921.db2.gz PZWIUSMKSKTHLV-TUAOUCFPSA-N 2 2 255.362 -0.084 20 0 CBADLP CNS(=O)(=O)CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000621263506 356262147 /nfs/dbraw/zinc/26/21/47/356262147.db2.gz VMSSCAONVVSXSW-VXGBXAGGSA-N 2 2 275.418 -0.048 20 0 CBADLP CNS(=O)(=O)CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000621263506 356262150 /nfs/dbraw/zinc/26/21/50/356262150.db2.gz VMSSCAONVVSXSW-VXGBXAGGSA-N 2 2 275.418 -0.048 20 0 CBADLP CNS(=O)(=O)CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000621263506 356262154 /nfs/dbraw/zinc/26/21/54/356262154.db2.gz VMSSCAONVVSXSW-VXGBXAGGSA-N 2 2 275.418 -0.048 20 0 CBADLP CNS(=O)(=O)CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000621263506 356262159 /nfs/dbraw/zinc/26/21/59/356262159.db2.gz VMSSCAONVVSXSW-VXGBXAGGSA-N 2 2 275.418 -0.048 20 0 CBADLP C[N@@H+]1CCN(C(=O)CC[C@H]2CCC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000621624745 356278318 /nfs/dbraw/zinc/27/83/18/356278318.db2.gz WASYUAJZYYOIEN-CHWSQXEVSA-N 3 2 268.405 -0.133 20 0 CBADLP C[N@H+]1CCN(C(=O)CC[C@H]2CCC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000621624745 356278323 /nfs/dbraw/zinc/27/83/23/356278323.db2.gz WASYUAJZYYOIEN-CHWSQXEVSA-N 3 2 268.405 -0.133 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621682285 356280546 /nfs/dbraw/zinc/28/05/46/356280546.db2.gz CNLLWUCILZICFN-IUODEOHRSA-N 2 2 296.415 -0.217 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621682285 356280548 /nfs/dbraw/zinc/28/05/48/356280548.db2.gz CNLLWUCILZICFN-IUODEOHRSA-N 2 2 296.415 -0.217 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@@H+]2C[C@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000621784597 356284446 /nfs/dbraw/zinc/28/44/46/356284446.db2.gz REUHZXIAHVOCMC-HIFRSBDPSA-N 3 2 280.416 -0.036 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@H+]2C[C@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000621784597 356284449 /nfs/dbraw/zinc/28/44/49/356284449.db2.gz REUHZXIAHVOCMC-HIFRSBDPSA-N 3 2 280.416 -0.036 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000621784598 356284794 /nfs/dbraw/zinc/28/47/94/356284794.db2.gz REUHZXIAHVOCMC-UKRRQHHQSA-N 3 2 280.416 -0.036 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000621784598 356284799 /nfs/dbraw/zinc/28/47/99/356284799.db2.gz REUHZXIAHVOCMC-UKRRQHHQSA-N 3 2 280.416 -0.036 20 0 CBADLP [NH3+][C@]12CCC[C@H]1C[N@H+](CCN1C(=O)CNC1=O)C2 ZINC000621780466 356284951 /nfs/dbraw/zinc/28/49/51/356284951.db2.gz RTVFOSJMOOWFMD-CABZTGNLSA-N 2 2 252.318 -0.649 20 0 CBADLP [NH3+][C@]12CCC[C@H]1C[N@@H+](CCN1C(=O)CNC1=O)C2 ZINC000621780466 356284955 /nfs/dbraw/zinc/28/49/55/356284955.db2.gz RTVFOSJMOOWFMD-CABZTGNLSA-N 2 2 252.318 -0.649 20 0 CBADLP [NH3+][C@@]12CCC[C@H]1CN(C(=O)C(=O)NCCn1cc[nH+]c1)C2 ZINC000621839687 356288833 /nfs/dbraw/zinc/28/88/33/356288833.db2.gz XBUJMEASWQRVNI-SMDDNHRTSA-N 2 2 291.355 -0.661 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCC[NH+](CCCO)C2)C1 ZINC000622631168 356328817 /nfs/dbraw/zinc/32/88/17/356328817.db2.gz HXPYPJGMSPLEKD-CHWSQXEVSA-N 2 2 285.388 -0.720 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCC[NH+](CCCO)C2)C1 ZINC000622631168 356328820 /nfs/dbraw/zinc/32/88/20/356328820.db2.gz HXPYPJGMSPLEKD-CHWSQXEVSA-N 2 2 285.388 -0.720 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2CCC[N@H+](CCCO)C2)C1 ZINC000622631168 356328822 /nfs/dbraw/zinc/32/88/22/356328822.db2.gz HXPYPJGMSPLEKD-CHWSQXEVSA-N 2 2 285.388 -0.720 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)C1 ZINC000622631168 356328824 /nfs/dbraw/zinc/32/88/24/356328824.db2.gz HXPYPJGMSPLEKD-CHWSQXEVSA-N 2 2 285.388 -0.720 20 0 CBADLP Cn1c[nH+]c(CCNC(=O)[C@H]2C[N@H+](C)CCO2)c1 ZINC000622685653 356337309 /nfs/dbraw/zinc/33/73/09/356337309.db2.gz DDVNSCDGWHUYFB-LLVKDONJSA-N 2 2 252.318 -0.591 20 0 CBADLP Cn1c[nH+]c(CCNC(=O)[C@H]2C[N@@H+](C)CCO2)c1 ZINC000622685653 356337312 /nfs/dbraw/zinc/33/73/12/356337312.db2.gz DDVNSCDGWHUYFB-LLVKDONJSA-N 2 2 252.318 -0.591 20 0 CBADLP COCCn1cc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cn1 ZINC000623066227 356353204 /nfs/dbraw/zinc/35/32/04/356353204.db2.gz BVPWIGRVBDKHMD-GFCCVEGCSA-N 2 2 296.375 -0.364 20 0 CBADLP COCCn1cc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cn1 ZINC000623066227 356353206 /nfs/dbraw/zinc/35/32/06/356353206.db2.gz BVPWIGRVBDKHMD-GFCCVEGCSA-N 2 2 296.375 -0.364 20 0 CBADLP Cn1ccnc1C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000623618561 356369155 /nfs/dbraw/zinc/36/91/55/356369155.db2.gz VRWBBNROFBEOCD-NSHDSACASA-N 2 2 265.361 -0.151 20 0 CBADLP Cn1ccnc1C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000623618561 356369161 /nfs/dbraw/zinc/36/91/61/356369161.db2.gz VRWBBNROFBEOCD-NSHDSACASA-N 2 2 265.361 -0.151 20 0 CBADLP C[N@H+](CCNC(=O)NC[C@@H]1COCC[NH+]1C)C1CC1 ZINC000623718500 356372300 /nfs/dbraw/zinc/37/23/00/356372300.db2.gz MXHWFFJKFFUJLW-GFCCVEGCSA-N 2 2 270.377 -0.290 20 0 CBADLP C[N@@H+](CCNC(=O)NC[C@@H]1COCC[NH+]1C)C1CC1 ZINC000623718500 356372304 /nfs/dbraw/zinc/37/23/04/356372304.db2.gz MXHWFFJKFFUJLW-GFCCVEGCSA-N 2 2 270.377 -0.290 20 0 CBADLP C[NH+](CCNC(=O)NC[C@@H]1COCC[N@@H+]1C)C1CC1 ZINC000623718500 356372307 /nfs/dbraw/zinc/37/23/07/356372307.db2.gz MXHWFFJKFFUJLW-GFCCVEGCSA-N 2 2 270.377 -0.290 20 0 CBADLP C[NH+](CCNC(=O)NC[C@@H]1COCC[N@H+]1C)C1CC1 ZINC000623718500 356372311 /nfs/dbraw/zinc/37/23/11/356372311.db2.gz MXHWFFJKFFUJLW-GFCCVEGCSA-N 2 2 270.377 -0.290 20 0 CBADLP Cc1cc(C[NH+]2CCN(c3nc(N)[nH+]c(N)n3)CC2)on1 ZINC000623821382 356377253 /nfs/dbraw/zinc/37/72/53/356377253.db2.gz PZLFXTNCXUAKFN-UHFFFAOYSA-N 2 2 290.331 -0.685 20 0 CBADLP Nc1nc(N2CCC[C@@H](n3cc[nH+]c3)C2)nc(N)[nH+]1 ZINC000623937190 356383628 /nfs/dbraw/zinc/38/36/28/356383628.db2.gz XWQLCJCDDHGETE-MRVPVSSYSA-N 2 2 260.305 -0.265 20 0 CBADLP C[C@@H]1CCN(c2nc(N)[nH+]c(N)n2)C[C@H]1n1cc[nH+]c1 ZINC000624035247 356391183 /nfs/dbraw/zinc/39/11/83/356391183.db2.gz RAMKLMUCJFIGRN-RKDXNWHRSA-N 2 2 274.332 -0.019 20 0 CBADLP Cn1cc[nH+]c1[C@@H]1CCN(c2nc(N)[nH+]c(N)n2)C1 ZINC000624064605 356393775 /nfs/dbraw/zinc/39/37/75/356393775.db2.gz LQCIXGLPQCGNEZ-SSDOTTSWSA-N 2 2 260.305 -0.576 20 0 CBADLP Cn1cc[nH+]c1[C@@H]1CCN(c2nc(N)nc(N)[nH+]2)C1 ZINC000624064605 356393777 /nfs/dbraw/zinc/39/37/77/356393777.db2.gz LQCIXGLPQCGNEZ-SSDOTTSWSA-N 2 2 260.305 -0.576 20 0 CBADLP Nc1nc(N2CCC[C@H](C[NH+]3CCOCC3)C2)nc(N)[nH+]1 ZINC000624188438 356402869 /nfs/dbraw/zinc/40/28/69/356402869.db2.gz MZMHSWHJJOCKHA-SNVBAGLBSA-N 2 2 293.375 -0.755 20 0 CBADLP C[NH+](C)CC(=O)N1CC[NH+](CCOC2CCOCC2)CC1 ZINC000625080678 356446472 /nfs/dbraw/zinc/44/64/72/356446472.db2.gz HJOMQKPEIROUNU-UHFFFAOYSA-N 2 2 299.415 -0.112 20 0 CBADLP CC[N@H+](C)C[C@@H](O)CN1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000625473479 356467587 /nfs/dbraw/zinc/46/75/87/356467587.db2.gz DHFOFTJFSJUSIZ-CQSZACIVSA-N 2 2 281.404 -0.160 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)CN1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000625473479 356467590 /nfs/dbraw/zinc/46/75/90/356467590.db2.gz DHFOFTJFSJUSIZ-CQSZACIVSA-N 2 2 281.404 -0.160 20 0 CBADLP C[N@H+](C[C@H](O)CN1CC[NH+](Cc2cn[nH]c2)CC1)C1CC1 ZINC000625473246 356467801 /nfs/dbraw/zinc/46/78/01/356467801.db2.gz AVOCYIYWOREVNH-HNNXBMFYSA-N 2 2 293.415 -0.018 20 0 CBADLP C[N@@H+](C[C@H](O)CN1CC[NH+](Cc2cn[nH]c2)CC1)C1CC1 ZINC000625473246 356467802 /nfs/dbraw/zinc/46/78/02/356467802.db2.gz AVOCYIYWOREVNH-HNNXBMFYSA-N 2 2 293.415 -0.018 20 0 CBADLP C[NH+](C)CCN1CC[N@H+](CCOC2CCOCC2)CC1=O ZINC000625510382 356470813 /nfs/dbraw/zinc/47/08/13/356470813.db2.gz CJCWYWOTPSBBFL-UHFFFAOYSA-N 2 2 299.415 -0.112 20 0 CBADLP C[NH+](C)CCN1CC[N@@H+](CCOC2CCOCC2)CC1=O ZINC000625510382 356470816 /nfs/dbraw/zinc/47/08/16/356470816.db2.gz CJCWYWOTPSBBFL-UHFFFAOYSA-N 2 2 299.415 -0.112 20 0 CBADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(NS(N)(=O)=O)CC1 ZINC000626035394 356502377 /nfs/dbraw/zinc/50/23/77/356502377.db2.gz NIJQSXCAYKPRPM-GFCCVEGCSA-N 2 2 290.433 -0.272 20 0 CBADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(NS(N)(=O)=O)CC1 ZINC000626035394 356502379 /nfs/dbraw/zinc/50/23/79/356502379.db2.gz NIJQSXCAYKPRPM-GFCCVEGCSA-N 2 2 290.433 -0.272 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)C[C@H]1C[C@@H](O)C1 ZINC000626046514 356503518 /nfs/dbraw/zinc/50/35/18/356503518.db2.gz GVHJIBZEBMXUIM-XQQFMLRXSA-N 2 2 260.378 -0.372 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)C[C@H]1C[C@@H](O)C1 ZINC000626046514 356503521 /nfs/dbraw/zinc/50/35/21/356503521.db2.gz GVHJIBZEBMXUIM-XQQFMLRXSA-N 2 2 260.378 -0.372 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000626046514 356503523 /nfs/dbraw/zinc/50/35/23/356503523.db2.gz GVHJIBZEBMXUIM-XQQFMLRXSA-N 2 2 260.378 -0.372 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000626046514 356503526 /nfs/dbraw/zinc/50/35/26/356503526.db2.gz GVHJIBZEBMXUIM-XQQFMLRXSA-N 2 2 260.378 -0.372 20 0 CBADLP Cc1[nH+]ccn1CC[N@@H+]1CCO[C@H](CC(N)=O)C1 ZINC000626076244 356506010 /nfs/dbraw/zinc/50/60/10/356506010.db2.gz IDCFANIOTUMNMO-LLVKDONJSA-N 2 2 252.318 -0.232 20 0 CBADLP Cc1[nH+]ccn1CC[N@H+]1CCO[C@H](CC(N)=O)C1 ZINC000626076244 356506016 /nfs/dbraw/zinc/50/60/16/356506016.db2.gz IDCFANIOTUMNMO-LLVKDONJSA-N 2 2 252.318 -0.232 20 0 CBADLP Cn1c[nH+]cc1CCC[N@@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000626076695 356506445 /nfs/dbraw/zinc/50/64/45/356506445.db2.gz STKGNMKIXRRBII-LBPRGKRZSA-N 2 2 266.345 -0.071 20 0 CBADLP Cn1c[nH+]cc1CCC[N@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000626076695 356506451 /nfs/dbraw/zinc/50/64/51/356506451.db2.gz STKGNMKIXRRBII-LBPRGKRZSA-N 2 2 266.345 -0.071 20 0 CBADLP COC[C@@]1(C)C[N@H+](CC(=O)N2CC[NH+](C)CC2)CCO1 ZINC000626172492 356517116 /nfs/dbraw/zinc/51/71/16/356517116.db2.gz ABNZAEFRGRJTHT-CQSZACIVSA-N 2 2 285.388 -0.502 20 0 CBADLP COC[C@@]1(C)C[N@@H+](CC(=O)N2CC[NH+](C)CC2)CCO1 ZINC000626172492 356517118 /nfs/dbraw/zinc/51/71/18/356517118.db2.gz ABNZAEFRGRJTHT-CQSZACIVSA-N 2 2 285.388 -0.502 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N(C)CCOCC[NH3+] ZINC000626934537 356557190 /nfs/dbraw/zinc/55/71/90/356557190.db2.gz HQVLRWPXCSXYRN-GFCCVEGCSA-N 2 2 288.392 -0.676 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NCCOCCC[NH3+] ZINC000626939836 356558005 /nfs/dbraw/zinc/55/80/05/356558005.db2.gz OAWDAPRMTITHSM-NSHDSACASA-N 2 2 269.349 -0.064 20 0 CBADLP C[C@@H](NC(=O)N[C@@H]1CC[NH2+]C1)[C@H](C)[NH+]1CCOCC1 ZINC000626970602 356561143 /nfs/dbraw/zinc/56/11/43/356561143.db2.gz QGAKKAJPQSTOMJ-GRYCIOLGSA-N 2 2 270.377 -0.243 20 0 CBADLP [NH3+]CCCOCCNC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000627040264 356569027 /nfs/dbraw/zinc/56/90/27/356569027.db2.gz FSEPRCCLCSEVOE-SNVBAGLBSA-N 2 2 281.360 -0.068 20 0 CBADLP [NH3+]CCCOCCNC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000627040264 356569028 /nfs/dbraw/zinc/56/90/28/356569028.db2.gz FSEPRCCLCSEVOE-SNVBAGLBSA-N 2 2 281.360 -0.068 20 0 CBADLP [NH3+]CCNC(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000627065920 356571654 /nfs/dbraw/zinc/57/16/54/356571654.db2.gz HHTOAWLVEVYVFB-CYBMUJFWSA-N 2 2 293.371 -0.460 20 0 CBADLP [NH3+]CCNC(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000627065920 356571658 /nfs/dbraw/zinc/57/16/58/356571658.db2.gz HHTOAWLVEVYVFB-CYBMUJFWSA-N 2 2 293.371 -0.460 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000627076360 356574211 /nfs/dbraw/zinc/57/42/11/356574211.db2.gz XHDYDADYINKUJL-MNOVXSKESA-N 2 2 256.350 -0.632 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000627076360 356574215 /nfs/dbraw/zinc/57/42/15/356574215.db2.gz XHDYDADYINKUJL-MNOVXSKESA-N 2 2 256.350 -0.632 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)NC1CCC([NH3+])CC1 ZINC000627076654 356574995 /nfs/dbraw/zinc/57/49/95/356574995.db2.gz GWBRYHNAMUUJRK-MCIGGMRASA-N 2 2 270.377 -0.114 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)NC1CCC([NH3+])CC1 ZINC000627076654 356574998 /nfs/dbraw/zinc/57/49/98/356574998.db2.gz GWBRYHNAMUUJRK-MCIGGMRASA-N 2 2 270.377 -0.114 20 0 CBADLP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000627087190 356579709 /nfs/dbraw/zinc/57/97/09/356579709.db2.gz HPTXHRPXCQCONC-IJLUTSLNSA-N 2 2 270.377 -0.386 20 0 CBADLP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000627087190 356579715 /nfs/dbraw/zinc/57/97/15/356579715.db2.gz HPTXHRPXCQCONC-IJLUTSLNSA-N 2 2 270.377 -0.386 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)NCC1=CC[NH2+]CC1 ZINC000627086800 356579997 /nfs/dbraw/zinc/57/99/97/356579997.db2.gz AITOPFGHLISLGN-GFCCVEGCSA-N 2 2 268.361 -0.464 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)NCC1=CC[NH2+]CC1 ZINC000627086800 356580002 /nfs/dbraw/zinc/58/00/02/356580002.db2.gz AITOPFGHLISLGN-GFCCVEGCSA-N 2 2 268.361 -0.464 20 0 CBADLP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000627087189 356580116 /nfs/dbraw/zinc/58/01/16/356580116.db2.gz HPTXHRPXCQCONC-GRYCIOLGSA-N 2 2 270.377 -0.386 20 0 CBADLP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NC[C@H]1COCC[N@H+]1C ZINC000627087189 356580120 /nfs/dbraw/zinc/58/01/20/356580120.db2.gz HPTXHRPXCQCONC-GRYCIOLGSA-N 2 2 270.377 -0.386 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000417021555 295928801 /nfs/dbraw/zinc/92/88/01/295928801.db2.gz IOKTUJJYZUTEKC-RYUDHWBXSA-N 2 2 270.377 -0.290 20 0 CBADLP C[C@H](C[C@H](C)[NH3+])NC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000627107858 356584160 /nfs/dbraw/zinc/58/41/60/356584160.db2.gz NQGQGJPSESYPJL-HBNTYKKESA-N 2 2 258.366 -0.258 20 0 CBADLP C[C@H](C[C@H](C)[NH3+])NC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000627107858 356584166 /nfs/dbraw/zinc/58/41/66/356584166.db2.gz NQGQGJPSESYPJL-HBNTYKKESA-N 2 2 258.366 -0.258 20 0 CBADLP CC(C)[C@H]([NH3+])CCNC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000627117567 356585889 /nfs/dbraw/zinc/58/58/89/356585889.db2.gz ZDRQKYADTQCMQZ-NWDGAFQWSA-N 2 2 272.393 -0.010 20 0 CBADLP CC(C)[C@H]([NH3+])CCNC(=O)NC[C@H]1COCC[N@H+]1C ZINC000627117567 356585891 /nfs/dbraw/zinc/58/58/91/356585891.db2.gz ZDRQKYADTQCMQZ-NWDGAFQWSA-N 2 2 272.393 -0.010 20 0 CBADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000627245103 356611350 /nfs/dbraw/zinc/61/13/50/356611350.db2.gz LEUDEJWCVZWURB-HBNTYKKESA-N 3 2 255.366 -0.979 20 0 CBADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000627245103 356611353 /nfs/dbraw/zinc/61/13/53/356611353.db2.gz LEUDEJWCVZWURB-HBNTYKKESA-N 3 2 255.366 -0.979 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627250778 356613850 /nfs/dbraw/zinc/61/38/50/356613850.db2.gz FKXSMAZLFDAAAS-VXGBXAGGSA-N 2 2 270.377 -0.290 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000627182670 356595102 /nfs/dbraw/zinc/59/51/02/356595102.db2.gz JBEJYDHJERPQAQ-NEPJUHHUSA-N 2 2 286.376 -0.924 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000627182670 356595104 /nfs/dbraw/zinc/59/51/04/356595104.db2.gz JBEJYDHJERPQAQ-NEPJUHHUSA-N 2 2 286.376 -0.924 20 0 CBADLP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000627183509 356595700 /nfs/dbraw/zinc/59/57/00/356595700.db2.gz LLRMYSKZCMLWRJ-GRYCIOLGSA-N 2 2 270.377 -0.304 20 0 CBADLP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000627183509 356595704 /nfs/dbraw/zinc/59/57/04/356595704.db2.gz LLRMYSKZCMLWRJ-GRYCIOLGSA-N 2 2 270.377 -0.304 20 0 CBADLP C[NH2+]C[C@H]1CCCN1C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000627182996 356596135 /nfs/dbraw/zinc/59/61/35/356596135.db2.gz GHWBCWUEQQFDAY-VXGBXAGGSA-N 2 2 270.377 -0.290 20 0 CBADLP C[NH2+]C[C@H]1CCCN1C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000627182996 356596138 /nfs/dbraw/zinc/59/61/38/356596138.db2.gz GHWBCWUEQQFDAY-VXGBXAGGSA-N 2 2 270.377 -0.290 20 0 CBADLP C[C@@H]1CN(C(=O)NC[C@@H]2COCC[N@@H+]2C)CC[C@H]1[NH3+] ZINC000627183787 356596322 /nfs/dbraw/zinc/59/63/22/356596322.db2.gz MXPDMLNCPLWSEY-IJLUTSLNSA-N 2 2 270.377 -0.304 20 0 CBADLP C[C@@H]1CN(C(=O)NC[C@@H]2COCC[N@H+]2C)CC[C@H]1[NH3+] ZINC000627183787 356596326 /nfs/dbraw/zinc/59/63/26/356596326.db2.gz MXPDMLNCPLWSEY-IJLUTSLNSA-N 2 2 270.377 -0.304 20 0 CBADLP C[C@@H]1CC[C@@H](NC(=O)NC[C@H]2COCC[N@@H+]2C)C[NH2+]1 ZINC000627183623 356596688 /nfs/dbraw/zinc/59/66/88/356596688.db2.gz WLGJSYIYDNZZIC-UTUOFQBUSA-N 2 2 270.377 -0.243 20 0 CBADLP C[C@@H]1CC[C@@H](NC(=O)NC[C@H]2COCC[N@H+]2C)C[NH2+]1 ZINC000627183623 356596690 /nfs/dbraw/zinc/59/66/90/356596690.db2.gz WLGJSYIYDNZZIC-UTUOFQBUSA-N 2 2 270.377 -0.243 20 0 CBADLP C[C@H]([NH3+])[C@@H]1CCN(C(=O)NC[C@H]2COCC[N@@H+]2C)C1 ZINC000627182754 356596781 /nfs/dbraw/zinc/59/67/81/356596781.db2.gz CTURUQBIMPAKDP-TUAOUCFPSA-N 2 2 270.377 -0.304 20 0 CBADLP C[C@H]([NH3+])[C@@H]1CCN(C(=O)NC[C@H]2COCC[N@H+]2C)C1 ZINC000627182754 356596783 /nfs/dbraw/zinc/59/67/83/356596783.db2.gz CTURUQBIMPAKDP-TUAOUCFPSA-N 2 2 270.377 -0.304 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000627184544 356597036 /nfs/dbraw/zinc/59/70/36/356597036.db2.gz ZUANMJGWZWREQL-AAEUAGOBSA-N 2 2 288.367 -0.340 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000627184544 356597039 /nfs/dbraw/zinc/59/70/39/356597039.db2.gz ZUANMJGWZWREQL-AAEUAGOBSA-N 2 2 288.367 -0.340 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000627184548 356597271 /nfs/dbraw/zinc/59/72/71/356597271.db2.gz ZUANMJGWZWREQL-YPMHNXCESA-N 2 2 288.367 -0.340 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000627184548 356597272 /nfs/dbraw/zinc/59/72/72/356597272.db2.gz ZUANMJGWZWREQL-YPMHNXCESA-N 2 2 288.367 -0.340 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000627184017 356597623 /nfs/dbraw/zinc/59/76/23/356597623.db2.gz QNQVPLNMDCGWBJ-QWHCGFSZSA-N 2 2 282.388 -0.147 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000627184017 356597626 /nfs/dbraw/zinc/59/76/26/356597626.db2.gz QNQVPLNMDCGWBJ-QWHCGFSZSA-N 2 2 282.388 -0.147 20 0 CBADLP C[C@H](O)C[NH+]1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC000328818203 202070446 /nfs/dbraw/zinc/07/04/46/202070446.db2.gz HBKOWNYXHSCUOH-LBPRGKRZSA-N 2 2 280.372 -0.122 20 0 CBADLP CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)c[nH+]1 ZINC000627352504 356631078 /nfs/dbraw/zinc/63/10/78/356631078.db2.gz YSXSHNLRYUCXBT-LLVKDONJSA-N 2 2 291.355 -0.758 20 0 CBADLP CCN(CC[NH3+])C(=O)C(=O)NCc1[nH+]ccn1CC(C)C ZINC000627360997 356632648 /nfs/dbraw/zinc/63/26/48/356632648.db2.gz CBEPNMLAXZXGRN-UHFFFAOYSA-N 2 2 295.387 -0.038 20 0 CBADLP O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CCc2[nH+]c[nH]c2C1 ZINC000627370021 356634178 /nfs/dbraw/zinc/63/41/78/356634178.db2.gz KUKMVYDOXOUSKE-ZDUSSCGKSA-N 2 2 275.356 -0.316 20 0 CBADLP O=C([C@@H]1C[N@H+]2CCN1CCC2)N1CCc2[nH+]c[nH]c2C1 ZINC000627370021 356634179 /nfs/dbraw/zinc/63/41/79/356634179.db2.gz KUKMVYDOXOUSKE-ZDUSSCGKSA-N 2 2 275.356 -0.316 20 0 CBADLP O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CCc2[nH]c[nH+]c2C1 ZINC000627370021 356634181 /nfs/dbraw/zinc/63/41/81/356634181.db2.gz KUKMVYDOXOUSKE-ZDUSSCGKSA-N 2 2 275.356 -0.316 20 0 CBADLP O=C([C@@H]1C[N@H+]2CCN1CCC2)N1CCc2[nH]c[nH+]c2C1 ZINC000627370021 356634183 /nfs/dbraw/zinc/63/41/83/356634183.db2.gz KUKMVYDOXOUSKE-ZDUSSCGKSA-N 2 2 275.356 -0.316 20 0 CBADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N[C@@H](CO)C[NH+](C)C)CC2 ZINC000627275773 356618685 /nfs/dbraw/zinc/61/86/85/356618685.db2.gz QUOWTUVICKPJHD-NWDGAFQWSA-N 2 2 280.372 -0.207 20 0 CBADLP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCn1cc[nH+]c1 ZINC000627299635 356622537 /nfs/dbraw/zinc/62/25/37/356622537.db2.gz AAUZIHOMWOFGOO-GFCCVEGCSA-N 2 2 293.371 -0.544 20 0 CBADLP C[C@@H]1CC[C@H](NC(=O)C(=O)NCCc2cn(C)c[nH+]2)C[NH2+]1 ZINC000627307634 356623178 /nfs/dbraw/zinc/62/31/78/356623178.db2.gz RXNARHUMPRPDIZ-MNOVXSKESA-N 2 2 293.371 -0.665 20 0 CBADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[NH+](CC)CC1 ZINC000627458368 356649273 /nfs/dbraw/zinc/64/92/73/356649273.db2.gz DTFDPULGHXTIDR-NWDGAFQWSA-N 2 2 282.388 -0.593 20 0 CBADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000627385552 356636414 /nfs/dbraw/zinc/63/64/14/356636414.db2.gz OJYOXJILYJMMLT-GRYCIOLGSA-N 2 2 293.371 -0.356 20 0 CBADLP C[C@@H]1CC[C@H](NC(=O)C(=O)NCCCn2cc[nH+]c2)C[NH2+]1 ZINC000627390294 356638016 /nfs/dbraw/zinc/63/80/16/356638016.db2.gz JBGFOAXACZCRCS-NEPJUHHUSA-N 2 2 293.371 -0.354 20 0 CBADLP C[C@H]1CC[C@H](NC(=O)C(=O)NCCCn2cc[nH+]c2)C[NH2+]1 ZINC000627390296 356638173 /nfs/dbraw/zinc/63/81/73/356638173.db2.gz JBGFOAXACZCRCS-RYUDHWBXSA-N 2 2 293.371 -0.354 20 0 CBADLP Cc1cn2c([nH+]1)CN(C(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C)CC2 ZINC000627503466 356659632 /nfs/dbraw/zinc/65/96/32/356659632.db2.gz NUCBAPBIYQGIIJ-WDEREUQCSA-N 2 2 291.355 -0.600 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](CCCF)CC2)C1 ZINC000627958967 356681802 /nfs/dbraw/zinc/68/18/02/356681802.db2.gz QAGWVFLXHKFASV-GFCCVEGCSA-N 2 2 273.352 -0.179 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](CCCF)CC2)C1 ZINC000627958967 356681805 /nfs/dbraw/zinc/68/18/05/356681805.db2.gz QAGWVFLXHKFASV-GFCCVEGCSA-N 2 2 273.352 -0.179 20 0 CBADLP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2COCC[NH+]2C)C1 ZINC000628914768 356738908 /nfs/dbraw/zinc/73/89/08/356738908.db2.gz QDKAAFHPIWXLMO-NWDGAFQWSA-N 2 2 255.362 -0.225 20 0 CBADLP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2COCC[NH+]2C)C1 ZINC000628914768 356738909 /nfs/dbraw/zinc/73/89/09/356738909.db2.gz QDKAAFHPIWXLMO-NWDGAFQWSA-N 2 2 255.362 -0.225 20 0 CBADLP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2COCC[N@@H+]2C)C1 ZINC000628914768 356738910 /nfs/dbraw/zinc/73/89/10/356738910.db2.gz QDKAAFHPIWXLMO-NWDGAFQWSA-N 2 2 255.362 -0.225 20 0 CBADLP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2COCC[N@H+]2C)C1 ZINC000628914768 356738913 /nfs/dbraw/zinc/73/89/13/356738913.db2.gz QDKAAFHPIWXLMO-NWDGAFQWSA-N 2 2 255.362 -0.225 20 0 CBADLP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2COCC[NH+]2C)C1 ZINC000628914769 356738946 /nfs/dbraw/zinc/73/89/46/356738946.db2.gz QDKAAFHPIWXLMO-RYUDHWBXSA-N 2 2 255.362 -0.225 20 0 CBADLP C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2COCC[NH+]2C)C1 ZINC000628914769 356738948 /nfs/dbraw/zinc/73/89/48/356738948.db2.gz QDKAAFHPIWXLMO-RYUDHWBXSA-N 2 2 255.362 -0.225 20 0 CBADLP C[C@H]1CC[NH+](CC(=O)NC[C@H]2COCC[N@@H+]2C)C1 ZINC000628914769 356738949 /nfs/dbraw/zinc/73/89/49/356738949.db2.gz QDKAAFHPIWXLMO-RYUDHWBXSA-N 2 2 255.362 -0.225 20 0 CBADLP C[C@H]1CC[NH+](CC(=O)NC[C@H]2COCC[N@H+]2C)C1 ZINC000628914769 356738951 /nfs/dbraw/zinc/73/89/51/356738951.db2.gz QDKAAFHPIWXLMO-RYUDHWBXSA-N 2 2 255.362 -0.225 20 0 CBADLP CN(C)S(=O)(=O)CC[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000629535191 356777288 /nfs/dbraw/zinc/77/72/88/356777288.db2.gz FHAUXTRSGWXCMF-LBPRGKRZSA-N 2 2 275.418 -0.047 20 0 CBADLP CN(C)S(=O)(=O)CC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000629535191 356777290 /nfs/dbraw/zinc/77/72/90/356777290.db2.gz FHAUXTRSGWXCMF-LBPRGKRZSA-N 2 2 275.418 -0.047 20 0 CBADLP COc1cncc(C[NH2+]C2(CO)CC[NH2+]CC2)n1 ZINC000629544692 356778351 /nfs/dbraw/zinc/77/83/51/356778351.db2.gz KCVFTGLHEWPERJ-UHFFFAOYSA-N 2 2 252.318 -0.311 20 0 CBADLP CC(C)(C)CNC(=O)C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000629547632 356778819 /nfs/dbraw/zinc/77/88/19/356778819.db2.gz UUYJNNNIAAJTHT-UHFFFAOYSA-N 2 2 257.378 -0.147 20 0 CBADLP O=C(N1CC[NH2+]CC1)N1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000629546608 356778897 /nfs/dbraw/zinc/77/88/97/356778897.db2.gz USBUTILPWJDHBH-CYBMUJFWSA-N 3 2 281.404 -0.761 20 0 CBADLP C[C@H](C[C@H]1COCC[NH2+]1)NCC[N@@H+]1CC[C@H](O)C1 ZINC000629556757 356779435 /nfs/dbraw/zinc/77/94/35/356779435.db2.gz YJDWYPYQFZWULF-AGIUHOORSA-N 2 2 257.378 -0.590 20 0 CBADLP C[C@H](C[C@H]1COCC[NH2+]1)NCC[N@H+]1CC[C@H](O)C1 ZINC000629556757 356779436 /nfs/dbraw/zinc/77/94/36/356779436.db2.gz YJDWYPYQFZWULF-AGIUHOORSA-N 2 2 257.378 -0.590 20 0 CBADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCN1CC[C@H](O)C1 ZINC000629556757 356779441 /nfs/dbraw/zinc/77/94/41/356779441.db2.gz YJDWYPYQFZWULF-AGIUHOORSA-N 2 2 257.378 -0.590 20 0 CBADLP O[C@H]1CC[N@H+](CCN[C@@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000629555935 356779732 /nfs/dbraw/zinc/77/97/32/356779732.db2.gz JOJGZDXIFJEZNL-MJBXVCDLSA-N 2 2 269.389 -0.590 20 0 CBADLP O[C@H]1CC[N@@H+](CCN[C@@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000629555935 356779734 /nfs/dbraw/zinc/77/97/34/356779734.db2.gz JOJGZDXIFJEZNL-MJBXVCDLSA-N 2 2 269.389 -0.590 20 0 CBADLP O[C@H]1CCN(CC[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000629555935 356779737 /nfs/dbraw/zinc/77/97/37/356779737.db2.gz JOJGZDXIFJEZNL-MJBXVCDLSA-N 2 2 269.389 -0.590 20 0 CBADLP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)[C@H]1CN(C)CCO1 ZINC000629570108 356780952 /nfs/dbraw/zinc/78/09/52/356780952.db2.gz IASHRCNDFGAHPO-MELADBBJSA-N 2 2 271.405 -0.248 20 0 CBADLP C[C@H](NC[C@H](O)C[NH+]1CCCC1)[C@H]1C[N@H+](C)CCO1 ZINC000629570108 356780955 /nfs/dbraw/zinc/78/09/55/356780955.db2.gz IASHRCNDFGAHPO-MELADBBJSA-N 2 2 271.405 -0.248 20 0 CBADLP C[C@H](NC[C@H](O)C[NH+]1CCCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000629570108 356780956 /nfs/dbraw/zinc/78/09/56/356780956.db2.gz IASHRCNDFGAHPO-MELADBBJSA-N 2 2 271.405 -0.248 20 0 CBADLP C[C@@H]([C@H]1CC[NH2+]C1)[NH+]1CCN(c2nccnn2)CC1 ZINC000629514038 356776102 /nfs/dbraw/zinc/77/61/02/356776102.db2.gz OXMTVLMMPGZZNE-RYUDHWBXSA-N 2 2 262.361 -0.008 20 0 CBADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CCS(=O)(=O)N(C)C ZINC000629515270 356776141 /nfs/dbraw/zinc/77/61/41/356776141.db2.gz RKIBNCRQGIQKRV-SNVBAGLBSA-N 2 2 251.396 -0.159 20 0 CBADLP CCN(CC[NH3+])C(=O)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000629792608 356793628 /nfs/dbraw/zinc/79/36/28/356793628.db2.gz VFZKRCKPBFHQLL-NSHDSACASA-N 2 2 293.371 -0.077 20 0 CBADLP CCN(CC[NH3+])C(=O)C(=O)N1CCn2c[nH+]cc2C1 ZINC000629811396 356798031 /nfs/dbraw/zinc/79/80/31/356798031.db2.gz GRKVYUWZABPLDI-UHFFFAOYSA-N 2 2 265.317 -0.968 20 0 CBADLP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000629812650 356798142 /nfs/dbraw/zinc/79/81/42/356798142.db2.gz RIVDKWGDUUCLNX-GFCCVEGCSA-N 2 2 282.388 -0.783 20 0 CBADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000629815025 356798205 /nfs/dbraw/zinc/79/82/05/356798205.db2.gz LLNNCZJQEHZABB-LBPRGKRZSA-N 2 2 293.371 -0.176 20 0 CBADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000629815025 356798207 /nfs/dbraw/zinc/79/82/07/356798207.db2.gz LLNNCZJQEHZABB-LBPRGKRZSA-N 2 2 293.371 -0.176 20 0 CBADLP O=C(NCC[N@H+]1CC[C@H](O)C1)[C@H]1CCc2c[nH+]cn2C1 ZINC000629917087 356808115 /nfs/dbraw/zinc/80/81/15/356808115.db2.gz LAVCEKVZLGUQQN-AAEUAGOBSA-N 2 2 278.356 -0.372 20 0 CBADLP O=C(NCC[N@@H+]1CC[C@H](O)C1)[C@H]1CCc2c[nH+]cn2C1 ZINC000629917087 356808117 /nfs/dbraw/zinc/80/81/17/356808117.db2.gz LAVCEKVZLGUQQN-AAEUAGOBSA-N 2 2 278.356 -0.372 20 0 CBADLP C[N@H+](CC(=O)NC[C@H]1C[NH+]2CCN1CC2)C1CCC1 ZINC000629974417 356813339 /nfs/dbraw/zinc/81/33/39/356813339.db2.gz JSFPJRHVEQHPNP-ZDUSSCGKSA-N 2 2 266.389 -0.413 20 0 CBADLP C[N@@H+](CC(=O)NC[C@H]1C[NH+]2CCN1CC2)C1CCC1 ZINC000629974417 356813344 /nfs/dbraw/zinc/81/33/44/356813344.db2.gz JSFPJRHVEQHPNP-ZDUSSCGKSA-N 2 2 266.389 -0.413 20 0 CBADLP CC[C@@H]([NH2+]C)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000629607112 356785763 /nfs/dbraw/zinc/78/57/63/356785763.db2.gz PFBXAMSKLCDRDL-VXGBXAGGSA-N 2 2 273.377 -0.864 20 0 CBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CC[C@@H]1CC[NH2+]C1 ZINC000629606790 356786006 /nfs/dbraw/zinc/78/60/06/356786006.db2.gz MKGCVKFKOVGDQF-ZIAGYGMSSA-N 2 2 299.415 -0.472 20 0 CBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000629606071 356786071 /nfs/dbraw/zinc/78/60/71/356786071.db2.gz CMFZZXXGILAZGF-GUTXKFCHSA-N 2 2 297.399 -0.863 20 0 CBADLP CC(C)C[C@@H]([NH3+])C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000629606459 356786175 /nfs/dbraw/zinc/78/61/75/356786175.db2.gz DQJDAYCAVFABGN-CHWSQXEVSA-N 2 2 287.404 -0.489 20 0 CBADLP CCOC[C@H](O)C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000629606036 356786310 /nfs/dbraw/zinc/78/63/10/356786310.db2.gz MNXLCSBXPBPEPT-NEPJUHHUSA-N 2 2 273.377 -0.687 20 0 CBADLP CCOC[C@H](O)C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000629606036 356786312 /nfs/dbraw/zinc/78/63/12/356786312.db2.gz MNXLCSBXPBPEPT-NEPJUHHUSA-N 2 2 273.377 -0.687 20 0 CBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C1(C[NH3+])CCCC1 ZINC000629607086 356786330 /nfs/dbraw/zinc/78/63/30/356786330.db2.gz KTOBHWFINSAOEI-ZDUSSCGKSA-N 2 2 299.415 -0.343 20 0 CBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1[NH2+]CC1(C)C ZINC000629606501 356786367 /nfs/dbraw/zinc/78/63/67/356786367.db2.gz HVOXTLAAJUAPCY-VXGBXAGGSA-N 2 2 285.388 -0.864 20 0 CBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CC[C@@H]1CC[NH2+]C1 ZINC000629606788 356786373 /nfs/dbraw/zinc/78/63/73/356786373.db2.gz MKGCVKFKOVGDQF-KGLIPLIRSA-N 2 2 299.415 -0.472 20 0 CBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]([NH3+])C1CCC1 ZINC000629606629 356786402 /nfs/dbraw/zinc/78/64/02/356786402.db2.gz KFWUJUMXSNFDOL-OLZOCXBDSA-N 2 2 285.388 -0.735 20 0 CBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CC[NH2+]C1CC1 ZINC000629606462 356786408 /nfs/dbraw/zinc/78/64/08/356786408.db2.gz HOLKAVSXCVMFCZ-ZDUSSCGKSA-N 2 2 285.388 -0.720 20 0 CBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C1([NH3+])CCC1 ZINC000629607728 356786920 /nfs/dbraw/zinc/78/69/20/356786920.db2.gz XXQWEADDJPYRSH-LLVKDONJSA-N 2 2 271.361 -0.981 20 0 CBADLP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NCC[NH+]1CCOCC1 ZINC000631000650 356872436 /nfs/dbraw/zinc/87/24/36/356872436.db2.gz HZNUYVDCXVGZDN-MNOVXSKESA-N 2 2 256.350 -0.550 20 0 CBADLP CNS(=O)(=O)CCC[NH2+][C@@H]1CC[N@H+](CCOC)C1 ZINC000631229369 356878046 /nfs/dbraw/zinc/87/80/46/356878046.db2.gz KXOBGRYNKDTBBL-LLVKDONJSA-N 2 2 279.406 -0.764 20 0 CBADLP CNS(=O)(=O)CCC[NH2+][C@@H]1CC[N@@H+](CCOC)C1 ZINC000631229369 356878048 /nfs/dbraw/zinc/87/80/48/356878048.db2.gz KXOBGRYNKDTBBL-LLVKDONJSA-N 2 2 279.406 -0.764 20 0 CBADLP C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC1=[NH+]CCCN1 ZINC000630387159 356842062 /nfs/dbraw/zinc/84/20/62/356842062.db2.gz IZVDNTSJAZWVEL-AWEZNQCLSA-N 2 2 282.388 -0.459 20 0 CBADLP C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC1=[NH+]CCCN1 ZINC000630387159 356842067 /nfs/dbraw/zinc/84/20/67/356842067.db2.gz IZVDNTSJAZWVEL-AWEZNQCLSA-N 2 2 282.388 -0.459 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCn1cc([C@H]2COCCN2)nn1 ZINC000630612410 356855075 /nfs/dbraw/zinc/85/50/75/356855075.db2.gz VKWDQWYWXHXPCF-CQSZACIVSA-N 2 2 296.419 -0.178 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCn1cc([C@H]2COCCN2)nn1 ZINC000630612410 356855078 /nfs/dbraw/zinc/85/50/78/356855078.db2.gz VKWDQWYWXHXPCF-CQSZACIVSA-N 2 2 296.419 -0.178 20 0 CBADLP C[C@H]([NH3+])[C@@H]1C[N@H+](C[C@H]2CCc3ncnn32)CCO1 ZINC000631822964 356909792 /nfs/dbraw/zinc/90/97/92/356909792.db2.gz SPJVJUSRPNUUSH-AXFHLTTASA-N 2 2 251.334 -0.187 20 0 CBADLP C[C@H]([NH3+])[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)CCO1 ZINC000631822964 356909796 /nfs/dbraw/zinc/90/97/96/356909796.db2.gz SPJVJUSRPNUUSH-AXFHLTTASA-N 2 2 251.334 -0.187 20 0 CBADLP C[C@H]([NH3+])[C@H]1C[N@H+](C[C@@H]2CCc3ncnn32)CCO1 ZINC000631822966 356909865 /nfs/dbraw/zinc/90/98/65/356909865.db2.gz SPJVJUSRPNUUSH-GARJFASQSA-N 2 2 251.334 -0.187 20 0 CBADLP C[C@H]([NH3+])[C@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)CCO1 ZINC000631822966 356909867 /nfs/dbraw/zinc/90/98/67/356909867.db2.gz SPJVJUSRPNUUSH-GARJFASQSA-N 2 2 251.334 -0.187 20 0 CBADLP CS(=O)(=O)NCC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631885856 356915992 /nfs/dbraw/zinc/91/59/92/356915992.db2.gz BUWQJDPVVMSLEQ-GHMZBOCLSA-N 2 2 261.391 -0.391 20 0 CBADLP CS(=O)(=O)NCC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631885856 356915994 /nfs/dbraw/zinc/91/59/94/356915994.db2.gz BUWQJDPVVMSLEQ-GHMZBOCLSA-N 2 2 261.391 -0.391 20 0 CBADLP O=C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)N1CCOCC1 ZINC000631884567 356916295 /nfs/dbraw/zinc/91/62/95/356916295.db2.gz LHQCVRSYIGAAQS-OLZOCXBDSA-N 2 2 267.373 -0.081 20 0 CBADLP O=C(C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)N1CCOCC1 ZINC000631884567 356916299 /nfs/dbraw/zinc/91/62/99/356916299.db2.gz LHQCVRSYIGAAQS-OLZOCXBDSA-N 2 2 267.373 -0.081 20 0 CBADLP C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)N1CC[NH2+]CC1 ZINC000631891031 356916704 /nfs/dbraw/zinc/91/67/04/356916704.db2.gz XKZQHBNOWIIGMQ-ZIAGYGMSSA-N 3 2 252.406 -0.035 20 0 CBADLP C(C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)N1CC[NH2+]CC1 ZINC000631891031 356916706 /nfs/dbraw/zinc/91/67/06/356916706.db2.gz XKZQHBNOWIIGMQ-ZIAGYGMSSA-N 3 2 252.406 -0.035 20 0 CBADLP Cn1c(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc(=O)n(C)c1=O ZINC000631888742 356916714 /nfs/dbraw/zinc/91/67/14/356916714.db2.gz ZYHJPHMBMDJBAG-YPMHNXCESA-N 2 2 292.383 -0.342 20 0 CBADLP Cn1c(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc(=O)n(C)c1=O ZINC000631888742 356916716 /nfs/dbraw/zinc/91/67/16/356916716.db2.gz ZYHJPHMBMDJBAG-YPMHNXCESA-N 2 2 292.383 -0.342 20 0 CBADLP C[C@@H]1C[NH2+]CCN1S(=O)(=O)CC1([NH+](C)C)CC1 ZINC000631903102 356918719 /nfs/dbraw/zinc/91/87/19/356918719.db2.gz YKQFLEFYYZMHNN-SNVBAGLBSA-N 2 2 261.391 -0.296 20 0 CBADLP O=S(=O)(C[C@H]1C[NH2+]CCO1)N1CCc2c[nH+]ccc21 ZINC000631924902 356924360 /nfs/dbraw/zinc/92/43/60/356924360.db2.gz HPWPYQBTVQNVHT-LLVKDONJSA-N 2 2 283.353 -0.238 20 0 CBADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@H]2CCCNC2=O)CC1 ZINC000631625910 356897877 /nfs/dbraw/zinc/89/78/77/356897877.db2.gz RHYMBKKMFKOITN-ZDUSSCGKSA-N 2 2 296.415 -0.345 20 0 CBADLP C[N@@H+]1CCO[C@H](CS(=O)(=O)N2CCC[NH+](C)CC2)C1 ZINC000631644339 356899659 /nfs/dbraw/zinc/89/96/59/356899659.db2.gz FOOWMDFHGTZLTH-LBPRGKRZSA-N 2 2 291.417 -0.716 20 0 CBADLP C[N@H+]1CCO[C@H](CS(=O)(=O)N2CCC[NH+](C)CC2)C1 ZINC000631644339 356899663 /nfs/dbraw/zinc/89/96/63/356899663.db2.gz FOOWMDFHGTZLTH-LBPRGKRZSA-N 2 2 291.417 -0.716 20 0 CBADLP C[NH+]1CCO[C@H](CS(=O)(=O)N2CCC[N@H+](C)CC2)C1 ZINC000631644339 356899666 /nfs/dbraw/zinc/89/96/66/356899666.db2.gz FOOWMDFHGTZLTH-LBPRGKRZSA-N 2 2 291.417 -0.716 20 0 CBADLP C[NH+]1CCO[C@H](CS(=O)(=O)N2CCC[N@@H+](C)CC2)C1 ZINC000631644339 356899668 /nfs/dbraw/zinc/89/96/68/356899668.db2.gz FOOWMDFHGTZLTH-LBPRGKRZSA-N 2 2 291.417 -0.716 20 0 CBADLP C[N@@H+]1CCO[C@H](CS(=O)(=O)NCC[NH+]2CCCC2)C1 ZINC000631680688 356900945 /nfs/dbraw/zinc/90/09/45/356900945.db2.gz QSPTXIUBFCHHJR-LBPRGKRZSA-N 2 2 291.417 -0.668 20 0 CBADLP C[N@H+]1CCO[C@H](CS(=O)(=O)NCC[NH+]2CCCC2)C1 ZINC000631680688 356900949 /nfs/dbraw/zinc/90/09/49/356900949.db2.gz QSPTXIUBFCHHJR-LBPRGKRZSA-N 2 2 291.417 -0.668 20 0 CBADLP C[C@@H](C[NH+](C)C)NS(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000632337527 356974655 /nfs/dbraw/zinc/97/46/55/356974655.db2.gz PJPHHCZKIYNKOD-WDEREUQCSA-N 2 2 279.406 -0.814 20 0 CBADLP C[C@@H](C[NH+](C)C)NS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000632337527 356974658 /nfs/dbraw/zinc/97/46/58/356974658.db2.gz PJPHHCZKIYNKOD-WDEREUQCSA-N 2 2 279.406 -0.814 20 0 CBADLP CC(C)[NH+]1CCN(C(=O)C(=O)N(C)Cc2[nH]cc[nH+]2)CC1 ZINC000632753719 357021563 /nfs/dbraw/zinc/02/15/63/357021563.db2.gz KSYPIUJSTVYGBI-UHFFFAOYSA-N 2 2 293.371 -0.079 20 0 CBADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000633108034 357046755 /nfs/dbraw/zinc/04/67/55/357046755.db2.gz YADCHZWHSVKNAH-PHIMTYICSA-N 2 2 291.355 -0.279 20 0 CBADLP C[C@@H]1CCN(C(=O)C(=O)N(C)Cc2[nH]cc[nH+]2)[C@H](C[NH3+])C1 ZINC000633109849 357047942 /nfs/dbraw/zinc/04/79/42/357047942.db2.gz QXGSCRXSMMKEHP-MNOVXSKESA-N 2 2 293.371 -0.046 20 0 CBADLP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000633114938 357048621 /nfs/dbraw/zinc/04/86/21/357048621.db2.gz DZABGZTZFUJUTE-GHMZBOCLSA-N 2 2 280.372 -0.759 20 0 CBADLP C[NH2+][C@H]1CCCN(C(=O)C(=O)N(C)Cc2[nH]cc[nH+]2)C1 ZINC000633123607 357050799 /nfs/dbraw/zinc/05/07/99/357050799.db2.gz FXFYCWQJYRNWJS-JTQLQIEISA-N 2 2 279.344 -0.422 20 0 CBADLP Cc1cn2c([nH+]1)CN(C(=O)C(=O)N1C[C@@H]([NH3+])C[C@@H]1C)CC2 ZINC000633148341 357052562 /nfs/dbraw/zinc/05/25/62/357052562.db2.gz UWZRREYUOWNHFH-QWRGUYRKSA-N 2 2 291.355 -0.518 20 0 CBADLP C[C@@H](CCNS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1)[NH+](C)C ZINC000632550015 357000909 /nfs/dbraw/zinc/00/09/09/357000909.db2.gz NEAPEWXQXZZZBK-RYUDHWBXSA-N 2 2 293.433 -0.423 20 0 CBADLP C[C@@H](CCNS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1)[NH+](C)C ZINC000632550015 357000913 /nfs/dbraw/zinc/00/09/13/357000913.db2.gz NEAPEWXQXZZZBK-RYUDHWBXSA-N 2 2 293.433 -0.423 20 0 CBADLP CCN(C(=O)C(=O)N(C)Cc1[nH]cc[nH+]1)[C@@H]1CC[N@H+](C)C1 ZINC000632659609 357014016 /nfs/dbraw/zinc/01/40/16/357014016.db2.gz ABFUJDRODDWVAE-LLVKDONJSA-N 2 2 293.371 -0.079 20 0 CBADLP CCN(C(=O)C(=O)N(C)Cc1[nH]cc[nH+]1)[C@@H]1CC[N@@H+](C)C1 ZINC000632659609 357014018 /nfs/dbraw/zinc/01/40/18/357014018.db2.gz ABFUJDRODDWVAE-LLVKDONJSA-N 2 2 293.371 -0.079 20 0 CBADLP CNC(=O)CC(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000634194755 357109388 /nfs/dbraw/zinc/10/93/88/357109388.db2.gz YEOJLFLYLIJIFI-UHFFFAOYSA-N 2 2 291.355 -0.092 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000633480931 357068937 /nfs/dbraw/zinc/06/89/37/357068937.db2.gz ALEOUQAKRPTQAN-GFCCVEGCSA-N 2 2 266.345 -0.154 20 0 CBADLP C[N@@H+]1CCN(C(=O)NC[C@H]2CCCC[NH2+]2)[C@H](C[NH3+])C1 ZINC000634272321 357113908 /nfs/dbraw/zinc/11/39/08/357113908.db2.gz ZWBFMWPLPQGJHQ-VXGBXAGGSA-N 3 2 269.393 -0.587 20 0 CBADLP C[N@H+]1CCN(C(=O)NC[C@H]2CCCC[NH2+]2)[C@H](C[NH3+])C1 ZINC000634272321 357113911 /nfs/dbraw/zinc/11/39/11/357113911.db2.gz ZWBFMWPLPQGJHQ-VXGBXAGGSA-N 3 2 269.393 -0.587 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)N(C)C[C@@H]2C[NH+](C)CCO2)C1 ZINC000633922828 357096468 /nfs/dbraw/zinc/09/64/68/357096468.db2.gz FDLYPENLQVOIFA-QWHCGFSZSA-N 2 2 285.388 -0.504 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)N(C)C[C@@H]2C[NH+](C)CCO2)C1 ZINC000633922828 357096472 /nfs/dbraw/zinc/09/64/72/357096472.db2.gz FDLYPENLQVOIFA-QWHCGFSZSA-N 2 2 285.388 -0.504 20 0 CBADLP CC[NH+]1CCO[C@@H](C(=O)N(C)C[C@@H]2C[N@H+](C)CCO2)C1 ZINC000633922828 357096473 /nfs/dbraw/zinc/09/64/73/357096473.db2.gz FDLYPENLQVOIFA-QWHCGFSZSA-N 2 2 285.388 -0.504 20 0 CBADLP CC[NH+]1CCO[C@@H](C(=O)N(C)C[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000633922828 357096478 /nfs/dbraw/zinc/09/64/78/357096478.db2.gz FDLYPENLQVOIFA-QWHCGFSZSA-N 2 2 285.388 -0.504 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2COC[C@@H]2C1 ZINC000634779568 357136250 /nfs/dbraw/zinc/13/62/50/357136250.db2.gz VVFKEVIXCALTOY-XQQFMLRXSA-N 2 2 258.362 -0.496 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H]2COC[C@@H]2C1 ZINC000634779568 357136255 /nfs/dbraw/zinc/13/62/55/357136255.db2.gz VVFKEVIXCALTOY-XQQFMLRXSA-N 2 2 258.362 -0.496 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000634779568 357136258 /nfs/dbraw/zinc/13/62/58/357136258.db2.gz VVFKEVIXCALTOY-XQQFMLRXSA-N 2 2 258.362 -0.496 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000634779568 357136262 /nfs/dbraw/zinc/13/62/62/357136262.db2.gz VVFKEVIXCALTOY-XQQFMLRXSA-N 2 2 258.362 -0.496 20 0 CBADLP c1nc(N2CC[C@@H]3OCC[NH2+][C@@H]3C2)c2c([nH+]1)NCCO2 ZINC000634809260 357137641 /nfs/dbraw/zinc/13/76/41/357137641.db2.gz NLTZISFXZLATBV-ZJUUUORDSA-N 2 2 277.328 -0.152 20 0 CBADLP CN(C)C(=O)C[NH+]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000635123199 357147938 /nfs/dbraw/zinc/14/79/38/357147938.db2.gz RIMMNIVICAKIIA-CYBMUJFWSA-N 2 2 296.415 -0.439 20 0 CBADLP CN(C)C(=O)C[NH+]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000635123199 357147941 /nfs/dbraw/zinc/14/79/41/357147941.db2.gz RIMMNIVICAKIIA-CYBMUJFWSA-N 2 2 296.415 -0.439 20 0 CBADLP C[C@H](C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)[NH+](C)C ZINC000635532385 357172952 /nfs/dbraw/zinc/17/29/52/357172952.db2.gz KJINYJBOKRPXEB-UPJWGTAASA-N 2 2 269.389 -0.006 20 0 CBADLP C[N@@H+]1CCC[C@@H]([NH2+]C[C@@H](O)CC2(O)CCOCC2)C1 ZINC000634703310 357127701 /nfs/dbraw/zinc/12/77/01/357127701.db2.gz UDEQBHMXPVYDRU-OLZOCXBDSA-N 2 2 272.389 -0.037 20 0 CBADLP C[N@H+]1CCC[C@@H]([NH2+]C[C@@H](O)CC2(O)CCOCC2)C1 ZINC000634703310 357127706 /nfs/dbraw/zinc/12/77/06/357127706.db2.gz UDEQBHMXPVYDRU-OLZOCXBDSA-N 2 2 272.389 -0.037 20 0 CBADLP C[N@@H+]1CCC[C@H]([NH2+]C[C@@H](O)CC2(O)CCOCC2)C1 ZINC000634703312 357127861 /nfs/dbraw/zinc/12/78/61/357127861.db2.gz UDEQBHMXPVYDRU-STQMWFEESA-N 2 2 272.389 -0.037 20 0 CBADLP C[N@H+]1CCC[C@H]([NH2+]C[C@@H](O)CC2(O)CCOCC2)C1 ZINC000634703312 357127865 /nfs/dbraw/zinc/12/78/65/357127865.db2.gz UDEQBHMXPVYDRU-STQMWFEESA-N 2 2 272.389 -0.037 20 0 CBADLP C[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](O)CC1(O)CCOCC1 ZINC000634705133 357128347 /nfs/dbraw/zinc/12/83/47/357128347.db2.gz VSNGFWQECIUKOG-QWHCGFSZSA-N 2 2 272.389 -0.037 20 0 CBADLP C[N@H+]1CCC[C@H]1C[NH2+]C[C@H](O)CC1(O)CCOCC1 ZINC000634705133 357128350 /nfs/dbraw/zinc/12/83/50/357128350.db2.gz VSNGFWQECIUKOG-QWHCGFSZSA-N 2 2 272.389 -0.037 20 0 CBADLP CN1CCCC[C@@H]([N@H+](C)CC(=O)N2CC[NH+](C)CC2)C1=O ZINC000634738630 357131246 /nfs/dbraw/zinc/13/12/46/357131246.db2.gz VLHKHIHGJLPIAV-CYBMUJFWSA-N 2 2 296.415 -0.297 20 0 CBADLP CN1CCCC[C@@H]([N@@H+](C)CC(=O)N2CC[NH+](C)CC2)C1=O ZINC000634738630 357131248 /nfs/dbraw/zinc/13/12/48/357131248.db2.gz VLHKHIHGJLPIAV-CYBMUJFWSA-N 2 2 296.415 -0.297 20 0 CBADLP CC[C@@H](CO)[NH+]1CCN(C(=O)[C@@H](C)[NH+](C)C)CC1 ZINC000635714728 357195828 /nfs/dbraw/zinc/19/58/28/357195828.db2.gz PVSZSSBKGAGDGG-NEPJUHHUSA-N 2 2 257.378 -0.148 20 0 CBADLP C[C@H](C(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C)[NH+](C)C ZINC000635818024 357212094 /nfs/dbraw/zinc/21/20/94/357212094.db2.gz ACWPNCDPNMHYPO-GRYCIOLGSA-N 2 2 257.378 -0.150 20 0 CBADLP C[C@H](C(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C)[NH+](C)C ZINC000635818024 357212099 /nfs/dbraw/zinc/21/20/99/357212099.db2.gz ACWPNCDPNMHYPO-GRYCIOLGSA-N 2 2 257.378 -0.150 20 0 CBADLP CC(C)[NH+]1CC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000635820597 357212494 /nfs/dbraw/zinc/21/24/94/357212494.db2.gz FIMRUGSLEXAYPD-ZYHUDNBSSA-N 2 2 255.362 -0.086 20 0 CBADLP CC(C)[NH+]1CC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000635820597 357212498 /nfs/dbraw/zinc/21/24/98/357212498.db2.gz FIMRUGSLEXAYPD-ZYHUDNBSSA-N 2 2 255.362 -0.086 20 0 CBADLP C[C@H](C(=O)NCC1([NH+]2CCOCC2)CC1)[NH+](C)C ZINC000635858906 357220246 /nfs/dbraw/zinc/22/02/46/357220246.db2.gz IVTIZWIXJYNXLC-LLVKDONJSA-N 2 2 255.362 -0.083 20 0 CBADLP C[NH+]1CCC(CNC(=O)C(N)=O)([NH+]2CCCCC2)CC1 ZINC000635615932 357183667 /nfs/dbraw/zinc/18/36/67/357183667.db2.gz RQTWCVLZSKBLJI-UHFFFAOYSA-N 2 2 282.388 -0.462 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@]1(C)CCNC1=O ZINC000636171653 357268791 /nfs/dbraw/zinc/26/87/91/357268791.db2.gz NYJOCAVQGPZMAE-CQSZACIVSA-N 2 2 284.404 -0.488 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@]1(C)CCNC1=O ZINC000636171653 357268793 /nfs/dbraw/zinc/26/87/93/357268793.db2.gz NYJOCAVQGPZMAE-CQSZACIVSA-N 2 2 284.404 -0.488 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N(C)CC(=O)N1CC[NH+](C)CC1 ZINC000636314577 357278887 /nfs/dbraw/zinc/27/88/87/357278887.db2.gz AYDOOAOSWANHDZ-UHFFFAOYSA-N 2 2 293.371 -0.576 20 0 CBADLP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000636316873 357280325 /nfs/dbraw/zinc/28/03/25/357280325.db2.gz ABNVFUUYAGVPKY-ZDUSSCGKSA-N 2 2 296.415 -0.297 20 0 CBADLP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC000636316873 357280326 /nfs/dbraw/zinc/28/03/26/357280326.db2.gz ABNVFUUYAGVPKY-ZDUSSCGKSA-N 2 2 296.415 -0.297 20 0 CBADLP C[C@H](C(=O)N1CCC([C@H](C)[NH3+])CC1)N1CC[NH2+]CC1=O ZINC000637827903 357373057 /nfs/dbraw/zinc/37/30/57/357373057.db2.gz BUDGRQNJJSUHOM-WDEREUQCSA-N 2 2 282.388 -0.608 20 0 CBADLP C[C@H](C(=O)NC1(C[NH3+])CCCC1)N1CC[NH2+]CC1=O ZINC000637840092 357374595 /nfs/dbraw/zinc/37/45/95/357374595.db2.gz NJLOWPYOFCNLTP-SNVBAGLBSA-N 2 2 268.361 -0.806 20 0 CBADLP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)Cc2[nH]cc[nH+]2)C1 ZINC000637016273 357317373 /nfs/dbraw/zinc/31/73/73/357317373.db2.gz BFNZPDDLFJMKBF-NSHDSACASA-N 2 2 293.371 -0.031 20 0 CBADLP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N(C)Cc2[nH]cc[nH+]2)C1 ZINC000637016273 357317375 /nfs/dbraw/zinc/31/73/75/357317375.db2.gz BFNZPDDLFJMKBF-NSHDSACASA-N 2 2 293.371 -0.031 20 0 CBADLP CCC(CC)(C[NH3+])NC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000637838933 357374816 /nfs/dbraw/zinc/37/48/16/357374816.db2.gz CXBDJSTXUAZGAV-SNVBAGLBSA-N 2 2 270.377 -0.560 20 0 CBADLP C[NH+](C)CCOCCNC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000637079486 357321042 /nfs/dbraw/zinc/32/10/42/357321042.db2.gz YLKFAHQPOSGDSR-GFCCVEGCSA-N 2 2 288.392 -0.806 20 0 CBADLP CC[C@@H](NC(C)=O)C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000637864101 357378324 /nfs/dbraw/zinc/37/83/24/357378324.db2.gz MFCNEZJSJPOQDW-GHMZBOCLSA-N 2 2 256.350 -0.998 20 0 CBADLP CC[C@@H](NC(C)=O)C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000637864101 357378326 /nfs/dbraw/zinc/37/83/26/357378326.db2.gz MFCNEZJSJPOQDW-GHMZBOCLSA-N 2 2 256.350 -0.998 20 0 CBADLP C[C@@H](NC(=O)NCC[N@@H+]1CC[C@H](O)C1)c1[nH+]ccn1C ZINC000637290329 357337859 /nfs/dbraw/zinc/33/78/59/357337859.db2.gz PCFJWUZVKGGIOS-MNOVXSKESA-N 2 2 281.360 -0.153 20 0 CBADLP C[C@@H](NC(=O)NCC[N@H+]1CC[C@H](O)C1)c1[nH+]ccn1C ZINC000637290329 357337863 /nfs/dbraw/zinc/33/78/63/357337863.db2.gz PCFJWUZVKGGIOS-MNOVXSKESA-N 2 2 281.360 -0.153 20 0 CBADLP C[C@@H](C(=O)N(C)CC(C)(C)C[NH3+])N1CC[NH2+]CC1=O ZINC000637861312 357378384 /nfs/dbraw/zinc/37/83/84/357378384.db2.gz IJLMBXIBVKEAIC-JTQLQIEISA-N 2 2 270.377 -0.750 20 0 CBADLP C[NH+]1CCOC[C@H]1CNC(=O)NCC1=CC[N@H+](C)CC1 ZINC000637444043 357351552 /nfs/dbraw/zinc/35/15/52/357351552.db2.gz NWVTZVDQBBYVPM-CYBMUJFWSA-N 2 2 282.388 -0.122 20 0 CBADLP C[NH+]1CCOC[C@H]1CNC(=O)NCC1=CC[N@@H+](C)CC1 ZINC000637444043 357351555 /nfs/dbraw/zinc/35/15/55/357351555.db2.gz NWVTZVDQBBYVPM-CYBMUJFWSA-N 2 2 282.388 -0.122 20 0 CBADLP C[NH+]1CC=C(CNC(=O)NC[C@@H]2COCC[N@@H+]2C)CC1 ZINC000637444043 357351559 /nfs/dbraw/zinc/35/15/59/357351559.db2.gz NWVTZVDQBBYVPM-CYBMUJFWSA-N 2 2 282.388 -0.122 20 0 CBADLP C[NH+]1CC=C(CNC(=O)NC[C@@H]2COCC[N@H+]2C)CC1 ZINC000637444043 357351561 /nfs/dbraw/zinc/35/15/61/357351561.db2.gz NWVTZVDQBBYVPM-CYBMUJFWSA-N 2 2 282.388 -0.122 20 0 CBADLP CC[NH+]1CCN(C(=O)NC[C@@H]2COCC[N@@H+]2C)CC1 ZINC000637444626 357351792 /nfs/dbraw/zinc/35/17/92/357351792.db2.gz DKUZHCKTKAQZMF-GFCCVEGCSA-N 2 2 270.377 -0.336 20 0 CBADLP CC[NH+]1CCN(C(=O)NC[C@@H]2COCC[N@H+]2C)CC1 ZINC000637444626 357351793 /nfs/dbraw/zinc/35/17/93/357351793.db2.gz DKUZHCKTKAQZMF-GFCCVEGCSA-N 2 2 270.377 -0.336 20 0 CBADLP C[C@H](C(=O)N[C@H]1CCCC[C@H]1C[NH3+])N1CC[NH2+]CC1=O ZINC000637853794 357376989 /nfs/dbraw/zinc/37/69/89/357376989.db2.gz YPVOXZGCDZTKGP-WOPDTQHZSA-N 2 2 282.388 -0.560 20 0 CBADLP C[C@@H](C(=O)N1CC[NH2+]CC1(C)C)N1CC[NH2+]CC1=O ZINC000637858010 357377205 /nfs/dbraw/zinc/37/72/05/357377205.db2.gz WIKZSSQSLLSJCS-JTQLQIEISA-N 2 2 268.361 -0.983 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000637863893 357378566 /nfs/dbraw/zinc/37/85/66/357378566.db2.gz JKGOSBQAMUGITC-SNVBAGLBSA-N 2 2 251.334 -0.638 20 0 CBADLP CC(C)[C@](C)(C[NH3+])NC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000637850972 357377589 /nfs/dbraw/zinc/37/75/89/357377589.db2.gz MMXLHGXOHRNRBB-GWCFXTLKSA-N 2 2 270.377 -0.704 20 0 CBADLP C[C@H](C(=O)N(C)C1CC[NH2+]CC1)N1CC[NH2+]CC1=O ZINC000637809499 357367476 /nfs/dbraw/zinc/36/74/76/357367476.db2.gz SBKXUIJWAPZOAA-SNVBAGLBSA-N 2 2 268.361 -0.983 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000637809881 357368127 /nfs/dbraw/zinc/36/81/27/357368127.db2.gz HBFNMIIIWJALOC-UHFFFAOYSA-N 2 2 279.344 -0.849 20 0 CBADLP CC[NH+]1CCC(NC(=O)[C@@H](C)N2CC[NH2+]CC2=O)CC1 ZINC000638052041 357406185 /nfs/dbraw/zinc/40/61/85/357406185.db2.gz VQLPSJBESDTWMU-LLVKDONJSA-N 2 2 282.388 -0.593 20 0 CBADLP CC[NH2+][C@@H](C)C(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000638055754 357406321 /nfs/dbraw/zinc/40/63/21/357406321.db2.gz ISOVSMNPCNUDQD-NWDGAFQWSA-N 2 2 296.415 -0.204 20 0 CBADLP CC(C)C[NH+]1CCN(C(=O)[C@H](C)N2CC[NH2+]CC2=O)CC1 ZINC000638052279 357406649 /nfs/dbraw/zinc/40/66/49/357406649.db2.gz ZFEICWJGKRRRDL-ZDUSSCGKSA-N 2 2 296.415 -0.393 20 0 CBADLP CCOCC[NH+]1CCN(C(=O)[C@@]2(C)C[C@@H](OC)C[NH2+]2)CC1 ZINC000638058007 357407104 /nfs/dbraw/zinc/40/71/04/357407104.db2.gz FVEIUSAPMJDJEP-UKRRQHHQSA-N 2 2 299.415 -0.066 20 0 CBADLP C[C@@]1(C(=O)N2CC[NH+](C3CC3)CC2)C[NH2+]CCO1 ZINC000638061479 357407846 /nfs/dbraw/zinc/40/78/46/357407846.db2.gz DHPKYCIGENMRMC-ZDUSSCGKSA-N 2 2 253.346 -0.329 20 0 CBADLP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638070834 357410139 /nfs/dbraw/zinc/41/01/39/357410139.db2.gz BUKJXUWGQIAJQB-OLZOCXBDSA-N 2 2 298.431 -0.101 20 0 CBADLP C[C@H](C(=O)NCC[N@@H+]1CCCC[C@H]1C)N1CC[NH2+]CC1=O ZINC000638070063 357410150 /nfs/dbraw/zinc/41/01/50/357410150.db2.gz OVUZEZFLIJPPLN-CHWSQXEVSA-N 2 2 296.415 -0.203 20 0 CBADLP C[C@H](C(=O)NCC[N@H+]1CCCC[C@H]1C)N1CC[NH2+]CC1=O ZINC000638070063 357410151 /nfs/dbraw/zinc/41/01/51/357410151.db2.gz OVUZEZFLIJPPLN-CHWSQXEVSA-N 2 2 296.415 -0.203 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638070203 357410159 /nfs/dbraw/zinc/41/01/59/357410159.db2.gz PCJJSMVPHPBHFO-GXTWGEPZSA-N 2 2 285.388 -0.421 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638074415 357410844 /nfs/dbraw/zinc/41/08/44/357410844.db2.gz XJJKWYGROWXVEA-JQWIXIFHSA-N 2 2 252.318 -0.234 20 0 CBADLP CC[NH+]1CCC(CNC(=O)[C@@H](C)N2CC[NH2+]CC2=O)CC1 ZINC000638078544 357411888 /nfs/dbraw/zinc/41/18/88/357411888.db2.gz LGFRBFSVYCYFSM-GFCCVEGCSA-N 2 2 296.415 -0.345 20 0 CBADLP C[C@H](CNC(=O)CN1CC[NH2+]CC1)Cn1cc[nH+]c1 ZINC000638077118 357412303 /nfs/dbraw/zinc/41/23/03/357412303.db2.gz PNHVKTBZAGYZMF-GFCCVEGCSA-N 2 2 265.361 -0.459 20 0 CBADLP C[C@H](C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)N1CC[NH2+]CC1=O ZINC000638081195 357412489 /nfs/dbraw/zinc/41/24/89/357412489.db2.gz IDFAELORVPELRC-GHMZBOCLSA-N 2 2 280.372 -0.840 20 0 CBADLP C[C@H](C(=O)N[C@@H]1CC[N@H+](C2CC2)C1)N1CC[NH2+]CC1=O ZINC000638081195 357412492 /nfs/dbraw/zinc/41/24/92/357412492.db2.gz IDFAELORVPELRC-GHMZBOCLSA-N 2 2 280.372 -0.840 20 0 CBADLP CC[NH+]1CCC(CNC(=O)[C@H](C)N2CC[NH2+]CC2=O)CC1 ZINC000638078546 357412835 /nfs/dbraw/zinc/41/28/35/357412835.db2.gz LGFRBFSVYCYFSM-LBPRGKRZSA-N 2 2 296.415 -0.345 20 0 CBADLP C[C@H](C(=O)N[C@@H](C)CC[NH+](C)C)N1CC[NH2+]CC1=O ZINC000638085890 357412992 /nfs/dbraw/zinc/41/29/92/357412992.db2.gz UYQOJCFWOLWCNM-WDEREUQCSA-N 2 2 270.377 -0.737 20 0 CBADLP O=C(CN1CC[NH2+]CC1)N1CCC(n2cc[nH+]c2)CC1 ZINC000638087437 357413162 /nfs/dbraw/zinc/41/31/62/357413162.db2.gz AFDYJHIXQQYHOV-UHFFFAOYSA-N 2 2 277.372 -0.048 20 0 CBADLP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1c[nH+]c(N)nc1N ZINC000638082532 357413779 /nfs/dbraw/zinc/41/37/79/357413779.db2.gz DQATZTKCWUBFFO-MWLCHTKSSA-N 2 2 262.361 -0.030 20 0 CBADLP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1c[nH+]c(N)nc1N ZINC000638082532 357413780 /nfs/dbraw/zinc/41/37/80/357413780.db2.gz DQATZTKCWUBFFO-MWLCHTKSSA-N 2 2 262.361 -0.030 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)CCC2C[NH2+]C2)CCO1 ZINC000638090671 357414788 /nfs/dbraw/zinc/41/47/88/357414788.db2.gz JRBKKECXENHKLP-NSHDSACASA-N 2 2 255.362 -0.177 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)CCC2C[NH2+]C2)CCO1 ZINC000638090671 357414790 /nfs/dbraw/zinc/41/47/90/357414790.db2.gz JRBKKECXENHKLP-NSHDSACASA-N 2 2 255.362 -0.177 20 0 CBADLP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCC[N@@H+]2CCO[C@H](C)C2)C1 ZINC000638089962 357414929 /nfs/dbraw/zinc/41/49/29/357414929.db2.gz FIEWNWGIOXTOHW-DYEKYZERSA-N 2 2 285.388 -0.410 20 0 CBADLP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCC[N@H+]2CCO[C@H](C)C2)C1 ZINC000638089962 357414931 /nfs/dbraw/zinc/41/49/31/357414931.db2.gz FIEWNWGIOXTOHW-DYEKYZERSA-N 2 2 285.388 -0.410 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)C2=CC[C@@H]([NH3+])C2)CCO1 ZINC000638091784 357415000 /nfs/dbraw/zinc/41/50/00/357415000.db2.gz YVGLXKQTMUDKJM-CMPLNLGQSA-N 2 2 253.346 -0.129 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)C2=CC[C@@H]([NH3+])C2)CCO1 ZINC000638091784 357415002 /nfs/dbraw/zinc/41/50/02/357415002.db2.gz YVGLXKQTMUDKJM-CMPLNLGQSA-N 2 2 253.346 -0.129 20 0 CBADLP C[C@H](C(=O)N[C@@H]1CC12CC[NH2+]CC2)N1CC[NH2+]CC1=O ZINC000638243872 357442622 /nfs/dbraw/zinc/44/26/22/357442622.db2.gz DVXNAHYISFYVGT-GHMZBOCLSA-N 2 2 280.372 -0.935 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638099308 357417162 /nfs/dbraw/zinc/41/71/62/357417162.db2.gz SMQPGFUOXAJBAP-GXTWGEPZSA-N 2 2 285.388 -0.421 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638099308 357417165 /nfs/dbraw/zinc/41/71/65/357417165.db2.gz SMQPGFUOXAJBAP-GXTWGEPZSA-N 2 2 285.388 -0.421 20 0 CBADLP C[C@H](C(=O)NC[C@H](C)[N@H+](C)C1CC1)N1CC[NH2+]CC1=O ZINC000638101072 357417223 /nfs/dbraw/zinc/41/72/23/357417223.db2.gz NAEZGEVSUGDYPL-WDEREUQCSA-N 2 2 282.388 -0.594 20 0 CBADLP C[C@H](C(=O)NC[C@H](C)[N@@H+](C)C1CC1)N1CC[NH2+]CC1=O ZINC000638101072 357417225 /nfs/dbraw/zinc/41/72/25/357417225.db2.gz NAEZGEVSUGDYPL-WDEREUQCSA-N 2 2 282.388 -0.594 20 0 CBADLP COC[C@]1(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)CCCC[NH2+]1 ZINC000638098840 357417244 /nfs/dbraw/zinc/41/72/44/357417244.db2.gz PQLMCCISFXSTCG-ZFWWWQNUSA-N 2 2 299.415 -0.018 20 0 CBADLP COC[C@]1(C(=O)NCC[N@H+]2CCOC[C@@H]2C)CCCC[NH2+]1 ZINC000638098840 357417245 /nfs/dbraw/zinc/41/72/45/357417245.db2.gz PQLMCCISFXSTCG-ZFWWWQNUSA-N 2 2 299.415 -0.018 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638099315 357417324 /nfs/dbraw/zinc/41/73/24/357417324.db2.gz SMQPGFUOXAJBAP-TZMCWYRMSA-N 2 2 285.388 -0.421 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638099315 357417325 /nfs/dbraw/zinc/41/73/25/357417325.db2.gz SMQPGFUOXAJBAP-TZMCWYRMSA-N 2 2 285.388 -0.421 20 0 CBADLP CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000638100180 357417346 /nfs/dbraw/zinc/41/73/46/357417346.db2.gz KOCISHCYQAMZRZ-CXTNEJHOSA-N 2 2 299.415 -0.021 20 0 CBADLP C[C@H](C(=O)NCC[N@@H+]1CC[C@H](C)C1)N1CC[NH2+]CC1=O ZINC000638125041 357421419 /nfs/dbraw/zinc/42/14/19/357421419.db2.gz CDWBMSYRWQNOAE-NWDGAFQWSA-N 2 2 282.388 -0.735 20 0 CBADLP C[C@H](C(=O)NCC[N@H+]1CC[C@H](C)C1)N1CC[NH2+]CC1=O ZINC000638125041 357421424 /nfs/dbraw/zinc/42/14/24/357421424.db2.gz CDWBMSYRWQNOAE-NWDGAFQWSA-N 2 2 282.388 -0.735 20 0 CBADLP CC(C)OCC[NH+]1CCN(C(=O)[C@@]2(C)C[NH2+]CCO2)CC1 ZINC000638122789 357422224 /nfs/dbraw/zinc/42/22/24/357422224.db2.gz QQZREUOEYVSBKM-OAHLLOKOSA-N 2 2 299.415 -0.066 20 0 CBADLP C[C@H](C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)N1CC[NH2+]CC1=O ZINC000638135700 357423802 /nfs/dbraw/zinc/42/38/02/357423802.db2.gz WAPWJKYNJWPESX-UTUOFQBUSA-N 2 2 294.399 -0.452 20 0 CBADLP C[C@H](C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1)N1CC[NH2+]CC1=O ZINC000638135700 357423808 /nfs/dbraw/zinc/42/38/08/357423808.db2.gz WAPWJKYNJWPESX-UTUOFQBUSA-N 2 2 294.399 -0.452 20 0 CBADLP CN1CC[NH+](CCCNC(=O)[C@@]2(C)C[NH2+]CCO2)CC1 ZINC000638137708 357424452 /nfs/dbraw/zinc/42/44/52/357424452.db2.gz ZPOBOZLBJQOMHP-CQSZACIVSA-N 2 2 284.404 -0.881 20 0 CBADLP C[C@@H](C(=O)NC[C@]1(C)CCC[NH2+]C1)N1CC[NH2+]CC1=O ZINC000638162903 357428148 /nfs/dbraw/zinc/42/81/48/357428148.db2.gz BJFUTPHXDXDAIT-SMDDNHRTSA-N 2 2 282.388 -0.687 20 0 CBADLP CCC[C@H]1C[NH2+]CCN1C(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638160525 357428689 /nfs/dbraw/zinc/42/86/89/357428689.db2.gz MCVDPAXKZLPJAN-RYUDHWBXSA-N 2 2 282.388 -0.593 20 0 CBADLP C[C@H](C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)N1CC[NH2+]CC1=O ZINC000638165032 357429595 /nfs/dbraw/zinc/42/95/95/357429595.db2.gz OAROKYQXNCWMLM-MROQNXINSA-N 2 2 294.399 -0.608 20 0 CBADLP C[C@@H](C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)N1CC[NH2+]CC1=O ZINC000638168686 357430402 /nfs/dbraw/zinc/43/04/02/357430402.db2.gz OBPSYEBGOOTQOK-SMDDNHRTSA-N 2 2 280.372 -0.981 20 0 CBADLP COC[C@@]1(C(=O)N2CC[NH+](CCO)CC2)CCCC[NH2+]1 ZINC000638227303 357437742 /nfs/dbraw/zinc/43/77/42/357437742.db2.gz PQKXIOKPVHEPAR-CQSZACIVSA-N 2 2 285.388 -0.718 20 0 CBADLP C[N@@H+]1CCN(C(=O)c2cc(F)c[nH]c2=O)[C@@H](C[NH3+])C1 ZINC000637866707 357379304 /nfs/dbraw/zinc/37/93/04/357379304.db2.gz PDMVAVJHLMBVBP-VIFPVBQESA-N 2 2 268.292 -0.359 20 0 CBADLP C[N@H+]1CCN(C(=O)c2cc(F)c[nH]c2=O)[C@@H](C[NH3+])C1 ZINC000637866707 357379305 /nfs/dbraw/zinc/37/93/05/357379305.db2.gz PDMVAVJHLMBVBP-VIFPVBQESA-N 2 2 268.292 -0.359 20 0 CBADLP C[N@@H+]1CC[C@H](CC(=O)N2CC[NH+](C)C[C@@H]2C[NH3+])C1 ZINC000637866346 357379539 /nfs/dbraw/zinc/37/95/39/357379539.db2.gz KXRNSONKKJYAQN-NEPJUHHUSA-N 3 2 254.378 -0.571 20 0 CBADLP C[N@H+]1CC[C@H](CC(=O)N2CC[NH+](C)C[C@@H]2C[NH3+])C1 ZINC000637866346 357379541 /nfs/dbraw/zinc/37/95/41/357379541.db2.gz KXRNSONKKJYAQN-NEPJUHHUSA-N 3 2 254.378 -0.571 20 0 CBADLP C[NH+]1CC[C@H](CC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])C1 ZINC000637866346 357379542 /nfs/dbraw/zinc/37/95/42/357379542.db2.gz KXRNSONKKJYAQN-NEPJUHHUSA-N 3 2 254.378 -0.571 20 0 CBADLP C[NH+]1CC[C@H](CC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])C1 ZINC000637866346 357379544 /nfs/dbraw/zinc/37/95/44/357379544.db2.gz KXRNSONKKJYAQN-NEPJUHHUSA-N 3 2 254.378 -0.571 20 0 CBADLP Nc1nc(N)c(CN2CC[NH+](C[C@H]3CCCO3)CC2)c[nH+]1 ZINC000637864464 357379575 /nfs/dbraw/zinc/37/95/75/357379575.db2.gz MSLRFUVHHBDIQZ-GFCCVEGCSA-N 2 2 292.387 -0.402 20 0 CBADLP C[NH2+]CCOCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000638577307 357497086 /nfs/dbraw/zinc/49/70/86/357497086.db2.gz WZNBIICNKXBWHT-LLVKDONJSA-N 2 2 266.345 -0.202 20 0 CBADLP CCOC[C@@H]1CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CCO1 ZINC000638606777 357501705 /nfs/dbraw/zinc/50/17/05/357501705.db2.gz YUUXCZCETJYKQG-NWDGAFQWSA-N 2 2 273.377 -0.471 20 0 CBADLP CCO[C@@H]1C[C@]([NH3+])(C(=O)NC[C@@H]2COCC[N@@H+]2C)C1(C)C ZINC000638610302 357502656 /nfs/dbraw/zinc/50/26/56/357502656.db2.gz JXXJSNJXDAQQQB-JMSVASOKSA-N 2 2 299.415 -0.034 20 0 CBADLP CCO[C@@H]1C[C@]([NH3+])(C(=O)NC[C@@H]2COCC[N@H+]2C)C1(C)C ZINC000638610302 357502657 /nfs/dbraw/zinc/50/26/57/357502657.db2.gz JXXJSNJXDAQQQB-JMSVASOKSA-N 2 2 299.415 -0.034 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000638610871 357502710 /nfs/dbraw/zinc/50/27/10/357502710.db2.gz LOJHGKBFPYOTFH-NEPJUHHUSA-N 2 2 271.361 -0.798 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000638610871 357502711 /nfs/dbraw/zinc/50/27/11/357502711.db2.gz LOJHGKBFPYOTFH-NEPJUHHUSA-N 2 2 271.361 -0.798 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000638612647 357504930 /nfs/dbraw/zinc/50/49/30/357504930.db2.gz WMTHLCHIQYSMOE-UTUOFQBUSA-N 2 2 255.362 -0.049 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000638612647 357504932 /nfs/dbraw/zinc/50/49/32/357504932.db2.gz WMTHLCHIQYSMOE-UTUOFQBUSA-N 2 2 255.362 -0.049 20 0 CBADLP O=C(NC[C@@H]1COCC[NH2+]1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000638613750 357506696 /nfs/dbraw/zinc/50/66/96/357506696.db2.gz LHHQFLGMGQIAES-GHMZBOCLSA-N 2 2 264.329 -0.450 20 0 CBADLP C[C@H](C(=O)N[C@@H](C)CCC[NH3+])N1CC[NH2+]CC1=O ZINC000638252075 357444436 /nfs/dbraw/zinc/44/44/36/357444436.db2.gz OLSHUEASLCIMHN-VHSXEESVSA-N 2 2 256.350 -0.950 20 0 CBADLP C[C@H](C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)N1CC[NH2+]CC1=O ZINC000638248286 357444536 /nfs/dbraw/zinc/44/45/36/357444536.db2.gz NVCADVWZJNZXBD-GRYCIOLGSA-N 2 2 280.372 -0.983 20 0 CBADLP C[C@H](C(=O)N[C@H]1CC[C@@H](C[NH3+])C1)N1CC[NH2+]CC1=O ZINC000638267595 357445618 /nfs/dbraw/zinc/44/56/18/357445618.db2.gz HIHUPFAIOYJWPE-MXWKQRLJSA-N 2 2 268.361 -0.950 20 0 CBADLP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000638272825 357446973 /nfs/dbraw/zinc/44/69/73/357446973.db2.gz VGLXNZMQMXFWLX-KGLIPLIRSA-N 2 2 290.367 -0.158 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638275768 357447867 /nfs/dbraw/zinc/44/78/67/357447867.db2.gz PFPRIIGBOBDRQC-CYBMUJFWSA-N 2 2 271.361 -0.845 20 0 CBADLP CO[C@H]1C[NH2+][C@](C)(C(=O)N(C)CC[NH+]2CCOCC2)C1 ZINC000638275732 357448654 /nfs/dbraw/zinc/44/86/54/357448654.db2.gz NRLYDEHYSOIENT-OCCSQVGLSA-N 2 2 285.388 -0.456 20 0 CBADLP CCN1CC[NH+](CCC(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000638618695 357508915 /nfs/dbraw/zinc/50/89/15/357508915.db2.gz OKFYEQLDJFLOTN-ZDUSSCGKSA-N 2 2 284.404 -0.881 20 0 CBADLP C[C@H](C(=O)N[C@H](C[NH3+])C1CCCC1)N1CC[NH2+]CC1=O ZINC000638326050 357458054 /nfs/dbraw/zinc/45/80/54/357458054.db2.gz IHILBXSPQQNZHE-ZYHUDNBSSA-N 2 2 282.388 -0.560 20 0 CBADLP C[C@H](C(=O)N[C@@H]1CCC[NH2+][C@@H]1C)N1CC[NH2+]CC1=O ZINC000638350714 357461520 /nfs/dbraw/zinc/46/15/20/357461520.db2.gz QQGAYFNDVLYTLG-GMTAPVOTSA-N 2 2 268.361 -0.937 20 0 CBADLP C[C@@H](C(=O)N1CC2CCC1(C[NH3+])CC2)N1CC[NH2+]CC1=O ZINC000638381696 357464539 /nfs/dbraw/zinc/46/45/39/357464539.db2.gz MTHDKHMOCPJNOK-BZUNDVKYSA-N 2 2 294.399 -0.463 20 0 CBADLP COc1ccccc1[C@@H]([NH3+])C(=O)NC[C@H]1COCC[NH2+]1 ZINC000638624028 357512631 /nfs/dbraw/zinc/51/26/31/357512631.db2.gz MUJSZYCGAFGHAL-GXFFZTMASA-N 2 2 279.340 -0.200 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@]2(C[NH3+])CCCOC2)[C@H](C)CO1 ZINC000638410295 357470590 /nfs/dbraw/zinc/47/05/90/357470590.db2.gz YMRKYSWNNWRWRG-NFAWXSAZSA-N 2 2 299.415 -0.033 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@]2(C[NH3+])CCCOC2)[C@H](C)CO1 ZINC000638410295 357470596 /nfs/dbraw/zinc/47/05/96/357470596.db2.gz YMRKYSWNNWRWRG-NFAWXSAZSA-N 2 2 299.415 -0.033 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638408229 357470687 /nfs/dbraw/zinc/47/06/87/357470687.db2.gz FOOJKSAABBTQHV-NWDGAFQWSA-N 3 2 272.393 -0.898 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638408229 357470688 /nfs/dbraw/zinc/47/06/88/357470688.db2.gz FOOJKSAABBTQHV-NWDGAFQWSA-N 3 2 272.393 -0.898 20 0 CBADLP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000638414177 357471331 /nfs/dbraw/zinc/47/13/31/357471331.db2.gz MIAGZPGSQMRNFV-UTUOFQBUSA-N 2 2 269.345 -0.964 20 0 CBADLP [NH3+][C@@H]1CC=C(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000638413861 357471572 /nfs/dbraw/zinc/47/15/72/357471572.db2.gz HCQPRWCOTWKPPR-OLZOCXBDSA-N 2 2 265.357 -0.033 20 0 CBADLP C[C@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+])N1CC[NH2+]CC1=O ZINC000638422503 357473087 /nfs/dbraw/zinc/47/30/87/357473087.db2.gz DIKDPZDCEDJPDM-UTUOFQBUSA-N 2 2 282.388 -0.608 20 0 CBADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)CN1CC[NH2+]CC1 ZINC000638425497 357474552 /nfs/dbraw/zinc/47/45/52/357474552.db2.gz GVDSEDQARGYISM-LLVKDONJSA-N 2 2 265.361 -0.015 20 0 CBADLP C[C@H](C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1)N1CC[NH2+]CC1=O ZINC000638440806 357477891 /nfs/dbraw/zinc/47/78/91/357477891.db2.gz BOJUBYHOYQUECH-SUNKGSAMSA-N 2 2 280.372 -0.854 20 0 CBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1CCCC[NH2+]1 ZINC000638446316 357478400 /nfs/dbraw/zinc/47/84/00/357478400.db2.gz OGAJBOOCYQZDHK-CHWSQXEVSA-N 2 2 285.388 -0.720 20 0 CBADLP C[C@@H](C(=O)N[C@@H]1CC[NH2+]C12CCC2)N1CC[NH2+]CC1=O ZINC000638512656 357491677 /nfs/dbraw/zinc/49/16/77/357491677.db2.gz JUTCKWZCMILHCB-WDEREUQCSA-N 2 2 280.372 -0.793 20 0 CBADLP C[N@@H+]1CCN(Cc2c[nH+]c3n2CCC3)[C@@H](CO)C1 ZINC000639334071 357567279 /nfs/dbraw/zinc/56/72/79/357567279.db2.gz PKCWUXOBDSTBEV-GFCCVEGCSA-N 2 2 250.346 -0.062 20 0 CBADLP C[N@H+]1CCN(Cc2c[nH+]c3n2CCC3)[C@@H](CO)C1 ZINC000639334071 357567281 /nfs/dbraw/zinc/56/72/81/357567281.db2.gz PKCWUXOBDSTBEV-GFCCVEGCSA-N 2 2 250.346 -0.062 20 0 CBADLP C[NH+](C)CCC[C@@H]1CN(Cc2c[nH+]c(N)nc2N)CCO1 ZINC000639334591 357568055 /nfs/dbraw/zinc/56/80/55/357568055.db2.gz GVKFDZCDZINAIN-GFCCVEGCSA-N 2 2 294.403 -0.156 20 0 CBADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCCNC(=O)C1 ZINC000639350069 357569099 /nfs/dbraw/zinc/56/90/99/357569099.db2.gz UARWASPVVMURAD-NEPJUHHUSA-N 2 2 282.388 -0.416 20 0 CBADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCCNC(=O)C1 ZINC000639350069 357569103 /nfs/dbraw/zinc/56/91/03/357569103.db2.gz UARWASPVVMURAD-NEPJUHHUSA-N 2 2 282.388 -0.416 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000638640546 357515090 /nfs/dbraw/zinc/51/50/90/357515090.db2.gz CHRXSEZORSBNAD-NEPJUHHUSA-N 2 2 284.404 -0.301 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000638640546 357515095 /nfs/dbraw/zinc/51/50/95/357515095.db2.gz CHRXSEZORSBNAD-NEPJUHHUSA-N 2 2 284.404 -0.301 20 0 CBADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000639507225 357575279 /nfs/dbraw/zinc/57/52/79/357575279.db2.gz ORKKCRKVKBGYHQ-LLVKDONJSA-N 2 2 286.401 -0.037 20 0 CBADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000639507225 357575280 /nfs/dbraw/zinc/57/52/80/357575280.db2.gz ORKKCRKVKBGYHQ-LLVKDONJSA-N 2 2 286.401 -0.037 20 0 CBADLP COC[C@]1(C)CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CCO1 ZINC000638797362 357531224 /nfs/dbraw/zinc/53/12/24/357531224.db2.gz QCJQFHMSXJPYGZ-YPMHNXCESA-N 2 2 273.377 -0.471 20 0 CBADLP C[C@@H](C(=O)N1CCCCC[C@H]([NH3+])C1)N1CC[NH2+]CC1=O ZINC000638814533 357533360 /nfs/dbraw/zinc/53/33/60/357533360.db2.gz CVGNWIDTYJCAPW-RYUDHWBXSA-N 2 2 282.388 -0.463 20 0 CBADLP C[C@H]1CC[N@H+](CCNCc2c[nH+]c(N)nc2N)C1 ZINC000638870976 357540463 /nfs/dbraw/zinc/54/04/63/357540463.db2.gz HSVPGGNOIYRGBY-VIFPVBQESA-N 2 2 250.350 -0.267 20 0 CBADLP C[C@H]1CC[N@@H+](CCNCc2c[nH+]c(N)nc2N)C1 ZINC000638870976 357540467 /nfs/dbraw/zinc/54/04/67/357540467.db2.gz HSVPGGNOIYRGBY-VIFPVBQESA-N 2 2 250.350 -0.267 20 0 CBADLP COCC[NH2+]CC(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638987101 357548732 /nfs/dbraw/zinc/54/87/32/357548732.db2.gz KWRLAIJBQDHUNU-UHFFFAOYSA-N 3 2 293.371 -0.334 20 0 CBADLP C[C@H](C(=O)N1CCC[C@H]2C[NH2+]CC[C@H]21)N1CC[NH2+]CC1=O ZINC000639019131 357552776 /nfs/dbraw/zinc/55/27/76/357552776.db2.gz CNISKGWDAVEOQZ-FRRDWIJNSA-N 2 2 294.399 -0.593 20 0 CBADLP CC(C)[C@H]1CN(C(=O)[C@H]2COCC[NH2+]2)CC[N@@H+]1C ZINC000639018609 357553378 /nfs/dbraw/zinc/55/33/78/357553378.db2.gz PFTGJNRWZVGPRC-VXGBXAGGSA-N 2 2 255.362 -0.227 20 0 CBADLP CC(C)[C@H]1CN(C(=O)[C@H]2COCC[NH2+]2)CC[N@H+]1C ZINC000639018609 357553379 /nfs/dbraw/zinc/55/33/79/357553379.db2.gz PFTGJNRWZVGPRC-VXGBXAGGSA-N 2 2 255.362 -0.227 20 0 CBADLP C[C@H](C(=O)N[C@H]1CC[C@H]([NH3+])CC1)N1CC[NH2+]CC1=O ZINC000639029593 357555269 /nfs/dbraw/zinc/55/52/69/357555269.db2.gz JBVDSUAHLOKHEL-GMTAPVOTSA-N 2 2 268.361 -0.807 20 0 CBADLP CC[N@H+](CCO)CC[NH2+]C[C@H](OC)[C@@H]1CCOC1 ZINC000639053556 357555897 /nfs/dbraw/zinc/55/58/97/357555897.db2.gz JLEGIILILQNDKL-OLZOCXBDSA-N 2 2 260.378 -0.058 20 0 CBADLP CC[N@@H+](CCO)CC[NH2+]C[C@H](OC)[C@@H]1CCOC1 ZINC000639053556 357555899 /nfs/dbraw/zinc/55/58/99/357555899.db2.gz JLEGIILILQNDKL-OLZOCXBDSA-N 2 2 260.378 -0.058 20 0 CBADLP C[N@@H+]1CC[C@@](O)(C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000639049606 357556325 /nfs/dbraw/zinc/55/63/25/357556325.db2.gz VXEMXZCKLNDKKO-OAHLLOKOSA-N 3 2 285.432 -0.122 20 0 CBADLP C[N@H+]1CC[C@@](O)(C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000639049606 357556329 /nfs/dbraw/zinc/55/63/29/357556329.db2.gz VXEMXZCKLNDKKO-OAHLLOKOSA-N 3 2 285.432 -0.122 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](OC)C[C@]1(C)CO ZINC000640001886 357628056 /nfs/dbraw/zinc/62/80/56/357628056.db2.gz FFARMSGKVFLZLH-BFHYXJOUSA-N 2 2 290.404 -0.603 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](OC)C[C@]1(C)CO ZINC000640001886 357628058 /nfs/dbraw/zinc/62/80/58/357628058.db2.gz FFARMSGKVFLZLH-BFHYXJOUSA-N 2 2 290.404 -0.603 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](OC)C[C@]1(C)CO ZINC000640001886 357628059 /nfs/dbraw/zinc/62/80/59/357628059.db2.gz FFARMSGKVFLZLH-BFHYXJOUSA-N 2 2 290.404 -0.603 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](OC)C[C@]1(C)CO ZINC000640001886 357628061 /nfs/dbraw/zinc/62/80/61/357628061.db2.gz FFARMSGKVFLZLH-BFHYXJOUSA-N 2 2 290.404 -0.603 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](OC)C[C@@]1(C)CO ZINC000640001889 357628120 /nfs/dbraw/zinc/62/81/20/357628120.db2.gz FFARMSGKVFLZLH-MJBXVCDLSA-N 2 2 290.404 -0.603 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](OC)C[C@@]1(C)CO ZINC000640001889 357628121 /nfs/dbraw/zinc/62/81/21/357628121.db2.gz FFARMSGKVFLZLH-MJBXVCDLSA-N 2 2 290.404 -0.603 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](OC)C[C@@]1(C)CO ZINC000640001889 357628123 /nfs/dbraw/zinc/62/81/23/357628123.db2.gz FFARMSGKVFLZLH-MJBXVCDLSA-N 2 2 290.404 -0.603 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](OC)C[C@@]1(C)CO ZINC000640001889 357628124 /nfs/dbraw/zinc/62/81/24/357628124.db2.gz FFARMSGKVFLZLH-MJBXVCDLSA-N 2 2 290.404 -0.603 20 0 CBADLP CC(=O)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000639558419 357579231 /nfs/dbraw/zinc/57/92/31/357579231.db2.gz YGLNDOCQKLKNPE-UHFFFAOYSA-N 2 2 256.346 -0.266 20 0 CBADLP C[C@H]1NC(=O)N(CC[N@@H+]2CCC[C@@](O)(C[NH+](C)C)C2)C1=O ZINC000639762054 357595414 /nfs/dbraw/zinc/59/54/14/357595414.db2.gz JMZTXHJUOIBEMS-BXUZGUMPSA-N 2 2 298.387 -0.685 20 0 CBADLP C[C@H]1NC(=O)N(CC[N@H+]2CCC[C@@](O)(C[NH+](C)C)C2)C1=O ZINC000639762054 357595418 /nfs/dbraw/zinc/59/54/18/357595418.db2.gz JMZTXHJUOIBEMS-BXUZGUMPSA-N 2 2 298.387 -0.685 20 0 CBADLP C[NH+](C)C[C@]1(O)CCC[N@H+](C[C@H]2COCCO2)C1 ZINC000639767841 357596924 /nfs/dbraw/zinc/59/69/24/357596924.db2.gz UAOKMXMYNARXNM-QWHCGFSZSA-N 2 2 258.362 -0.210 20 0 CBADLP C[NH+](C)C[C@]1(O)CCC[N@@H+](C[C@H]2COCCO2)C1 ZINC000639767841 357596929 /nfs/dbraw/zinc/59/69/29/357596929.db2.gz UAOKMXMYNARXNM-QWHCGFSZSA-N 2 2 258.362 -0.210 20 0 CBADLP c1cn(C[C@@H]2C[N@H+](CCn3cc[nH+]c3)CCO2)nn1 ZINC000639857699 357610268 /nfs/dbraw/zinc/61/02/68/357610268.db2.gz OPUNORVIBHOBFG-LBPRGKRZSA-N 2 2 262.317 -0.124 20 0 CBADLP c1cn(C[C@@H]2C[N@@H+](CCn3cc[nH+]c3)CCO2)nn1 ZINC000639857699 357610275 /nfs/dbraw/zinc/61/02/75/357610275.db2.gz OPUNORVIBHOBFG-LBPRGKRZSA-N 2 2 262.317 -0.124 20 0 CBADLP C[C@@H]1C[N@@H+](CCN2CC[NH+](C)C[C@H]2CO)C[C@H](C)O1 ZINC000639866272 357612662 /nfs/dbraw/zinc/61/26/62/357612662.db2.gz DCTDJNXJDZAKRX-MJBXVCDLSA-N 2 2 271.405 -0.296 20 0 CBADLP C[C@@H]1C[N@H+](CCN2CC[NH+](C)C[C@H]2CO)C[C@H](C)O1 ZINC000639866272 357612666 /nfs/dbraw/zinc/61/26/66/357612666.db2.gz DCTDJNXJDZAKRX-MJBXVCDLSA-N 2 2 271.405 -0.296 20 0 CBADLP C[C@@H]1C[NH+](CCN2CC[N@H+](C)C[C@H]2CO)C[C@H](C)O1 ZINC000639866272 357612671 /nfs/dbraw/zinc/61/26/71/357612671.db2.gz DCTDJNXJDZAKRX-MJBXVCDLSA-N 2 2 271.405 -0.296 20 0 CBADLP C[C@@H]1C[NH+](CCN2CC[N@@H+](C)C[C@H]2CO)C[C@H](C)O1 ZINC000639866272 357612675 /nfs/dbraw/zinc/61/26/75/357612675.db2.gz DCTDJNXJDZAKRX-MJBXVCDLSA-N 2 2 271.405 -0.296 20 0 CBADLP C[C@H]1C[N@H+](CCN2CC[NH+](C)C[C@@H]2CO)CCO1 ZINC000639869299 357614071 /nfs/dbraw/zinc/61/40/71/357614071.db2.gz BACMKIVDGYQQON-QWHCGFSZSA-N 2 2 257.378 -0.685 20 0 CBADLP C[C@H]1C[N@@H+](CCN2CC[NH+](C)C[C@@H]2CO)CCO1 ZINC000639869299 357614076 /nfs/dbraw/zinc/61/40/76/357614076.db2.gz BACMKIVDGYQQON-QWHCGFSZSA-N 2 2 257.378 -0.685 20 0 CBADLP C[C@H]1C[NH+](CCN2CC[N@H+](C)C[C@@H]2CO)CCO1 ZINC000639869299 357614079 /nfs/dbraw/zinc/61/40/79/357614079.db2.gz BACMKIVDGYQQON-QWHCGFSZSA-N 2 2 257.378 -0.685 20 0 CBADLP C[C@H]1C[NH+](CCN2CC[N@@H+](C)C[C@@H]2CO)CCO1 ZINC000639869299 357614085 /nfs/dbraw/zinc/61/40/85/357614085.db2.gz BACMKIVDGYQQON-QWHCGFSZSA-N 2 2 257.378 -0.685 20 0 CBADLP C[C@@H]1C[N@H+](CCN2CC[NH+](C)C[C@@H]2CO)CCO1 ZINC000639869292 357614130 /nfs/dbraw/zinc/61/41/30/357614130.db2.gz BACMKIVDGYQQON-CHWSQXEVSA-N 2 2 257.378 -0.685 20 0 CBADLP C[C@@H]1C[N@@H+](CCN2CC[NH+](C)C[C@@H]2CO)CCO1 ZINC000639869292 357614136 /nfs/dbraw/zinc/61/41/36/357614136.db2.gz BACMKIVDGYQQON-CHWSQXEVSA-N 2 2 257.378 -0.685 20 0 CBADLP C[C@@H]1C[NH+](CCN2CC[N@H+](C)C[C@@H]2CO)CCO1 ZINC000639869292 357614140 /nfs/dbraw/zinc/61/41/40/357614140.db2.gz BACMKIVDGYQQON-CHWSQXEVSA-N 2 2 257.378 -0.685 20 0 CBADLP C[C@@H]1C[NH+](CCN2CC[N@@H+](C)C[C@@H]2CO)CCO1 ZINC000639869292 357614144 /nfs/dbraw/zinc/61/41/44/357614144.db2.gz BACMKIVDGYQQON-CHWSQXEVSA-N 2 2 257.378 -0.685 20 0 CBADLP Cn1c[nH+]cc1CC[NH+]1C[C@@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000639943472 357619259 /nfs/dbraw/zinc/61/92/59/357619259.db2.gz ZIMIRWUNOGKZDY-KBPBESRZSA-N 2 2 276.340 -0.053 20 0 CBADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)[C@H](C[NH3+])C1 ZINC000641194281 357678281 /nfs/dbraw/zinc/67/82/81/357678281.db2.gz NSXYFCNMJCIKRT-IJLUTSLNSA-N 3 2 269.393 -0.459 20 0 CBADLP C[N@H+]1CCN(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)[C@H](C[NH3+])C1 ZINC000641194281 357678284 /nfs/dbraw/zinc/67/82/84/357678284.db2.gz NSXYFCNMJCIKRT-IJLUTSLNSA-N 3 2 269.393 -0.459 20 0 CBADLP Cn1c[nH+]c(Cn2cc(CN3CC[NH+](C)CC3)nn2)c1 ZINC000641054241 357673585 /nfs/dbraw/zinc/67/35/85/357673585.db2.gz VJFKAWJXXMDMES-UHFFFAOYSA-N 2 2 275.360 -0.193 20 0 CBADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H]1CCNC(=O)CC1 ZINC000640051605 357632579 /nfs/dbraw/zinc/63/25/79/357632579.db2.gz RXLACNVRDRLWDL-CYBMUJFWSA-N 2 2 296.415 -0.392 20 0 CBADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H]1CCNC(=O)CC1 ZINC000640051605 357632583 /nfs/dbraw/zinc/63/25/83/357632583.db2.gz RXLACNVRDRLWDL-CYBMUJFWSA-N 2 2 296.415 -0.392 20 0 CBADLP C[N@H+](CCOCC(F)F)CC(=O)N1CC[NH+](C)CC1 ZINC000640051462 357633030 /nfs/dbraw/zinc/63/30/30/357633030.db2.gz NFSBOBNCPQRLPT-UHFFFAOYSA-N 2 2 279.331 -0.026 20 0 CBADLP C[N@@H+](CCOCC(F)F)CC(=O)N1CC[NH+](C)CC1 ZINC000640051462 357633032 /nfs/dbraw/zinc/63/30/32/357633032.db2.gz NFSBOBNCPQRLPT-UHFFFAOYSA-N 2 2 279.331 -0.026 20 0 CBADLP CC(C)[C@H](O)C[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640051754 357633083 /nfs/dbraw/zinc/63/30/83/357633083.db2.gz YYGNNLPGMSBJNU-GFCCVEGCSA-N 2 2 257.378 -0.291 20 0 CBADLP CC(C)[C@H](O)C[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640051754 357633085 /nfs/dbraw/zinc/63/30/85/357633085.db2.gz YYGNNLPGMSBJNU-GFCCVEGCSA-N 2 2 257.378 -0.291 20 0 CBADLP CCN(C)C(=O)CC[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640058156 357633259 /nfs/dbraw/zinc/63/32/59/357633259.db2.gz JNJFDWMHEBYYLQ-UHFFFAOYSA-N 2 2 284.404 -0.439 20 0 CBADLP CCN(C)C(=O)CC[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640058156 357633260 /nfs/dbraw/zinc/63/32/60/357633260.db2.gz JNJFDWMHEBYYLQ-UHFFFAOYSA-N 2 2 284.404 -0.439 20 0 CBADLP CCN1CC[C@H]([N@H+](C)CC(=O)N2CC[NH+](C)CC2)C1=O ZINC000640064370 357633751 /nfs/dbraw/zinc/63/37/51/357633751.db2.gz UMWHPXOAMPIGNU-LBPRGKRZSA-N 2 2 282.388 -0.687 20 0 CBADLP CCN1CC[C@H]([N@@H+](C)CC(=O)N2CC[NH+](C)CC2)C1=O ZINC000640064370 357633755 /nfs/dbraw/zinc/63/37/55/357633755.db2.gz UMWHPXOAMPIGNU-LBPRGKRZSA-N 2 2 282.388 -0.687 20 0 CBADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H]1CCc2ncnn21 ZINC000640062684 357634128 /nfs/dbraw/zinc/63/41/28/357634128.db2.gz OOWABTMZVUSTQR-LBPRGKRZSA-N 2 2 292.387 -0.529 20 0 CBADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H]1CCc2ncnn21 ZINC000640062684 357634132 /nfs/dbraw/zinc/63/41/32/357634132.db2.gz OOWABTMZVUSTQR-LBPRGKRZSA-N 2 2 292.387 -0.529 20 0 CBADLP CNC(=O)NC[C@H]1COCC[N@@H+]1CCn1cc[nH+]c1 ZINC000640104875 357635773 /nfs/dbraw/zinc/63/57/73/357635773.db2.gz NMRLOBHXPRFTAT-NSHDSACASA-N 2 2 267.333 -0.487 20 0 CBADLP CNC(=O)NC[C@H]1COCC[N@H+]1CCn1cc[nH+]c1 ZINC000640104875 357635775 /nfs/dbraw/zinc/63/57/75/357635775.db2.gz NMRLOBHXPRFTAT-NSHDSACASA-N 2 2 267.333 -0.487 20 0 CBADLP CC[N@H+](C)C[C@H](O)Cn1cc(C[NH+](C)CCOC)nn1 ZINC000641223145 357683067 /nfs/dbraw/zinc/68/30/67/357683067.db2.gz QGEIUFYIQKJNJL-ZDUSSCGKSA-N 2 2 285.392 -0.331 20 0 CBADLP CC[N@@H+](C)C[C@H](O)Cn1cc(C[NH+](C)CCOC)nn1 ZINC000641223145 357683069 /nfs/dbraw/zinc/68/30/69/357683069.db2.gz QGEIUFYIQKJNJL-ZDUSSCGKSA-N 2 2 285.392 -0.331 20 0 CBADLP CC[NH+](C)C[C@H](O)Cn1cc(C[N@H+](C)CCOC)nn1 ZINC000641223145 357683074 /nfs/dbraw/zinc/68/30/74/357683074.db2.gz QGEIUFYIQKJNJL-ZDUSSCGKSA-N 2 2 285.392 -0.331 20 0 CBADLP CC[NH+](C)C[C@H](O)Cn1cc(C[N@@H+](C)CCOC)nn1 ZINC000641223145 357683077 /nfs/dbraw/zinc/68/30/77/357683077.db2.gz QGEIUFYIQKJNJL-ZDUSSCGKSA-N 2 2 285.392 -0.331 20 0 CBADLP CC[NH+]1CCN(S(=O)(=O)CCn2cc[nH+]c2)CC1 ZINC000641249609 357683811 /nfs/dbraw/zinc/68/38/11/357683811.db2.gz NATUNLOTQJLMIY-UHFFFAOYSA-N 2 2 272.374 -0.150 20 0 CBADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2C[C@@H]3C[C@]3(O)C2)CC1 ZINC000641817243 357744701 /nfs/dbraw/zinc/74/47/01/357744701.db2.gz QCJCCFQJVMWFDX-WFASDCNBSA-N 2 2 296.415 -0.211 20 0 CBADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)C(C)(C)C2)[C@H](C)C[NH2+]1 ZINC000641825857 357746229 /nfs/dbraw/zinc/74/62/29/357746229.db2.gz XPJNLPOQOHVWTH-VXGBXAGGSA-N 2 2 296.415 -0.252 20 0 CBADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)C(C)(C)C2)[C@H](C)C[NH2+]1 ZINC000641825857 357746233 /nfs/dbraw/zinc/74/62/33/357746233.db2.gz XPJNLPOQOHVWTH-VXGBXAGGSA-N 2 2 296.415 -0.252 20 0 CBADLP NS(=O)(=O)CCC[N@@H+]1CC2CCC1(C[NH3+])CC2 ZINC000641825468 357746478 /nfs/dbraw/zinc/74/64/78/357746478.db2.gz XVUIWSKRIRPSHC-UHFFFAOYSA-N 2 2 261.391 -0.132 20 0 CBADLP NS(=O)(=O)CCC[N@H+]1CC2CCC1(C[NH3+])CC2 ZINC000641825468 357746480 /nfs/dbraw/zinc/74/64/80/357746480.db2.gz XVUIWSKRIRPSHC-UHFFFAOYSA-N 2 2 261.391 -0.132 20 0 CBADLP C[C@@H]([NH3+])CNC(=O)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000642327638 357753169 /nfs/dbraw/zinc/75/31/69/357753169.db2.gz SCKBZFUDHVDAJS-LLVKDONJSA-N 2 2 290.367 -0.418 20 0 CBADLP C[C@H]([NH3+])CNC(=O)C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000642789291 357763375 /nfs/dbraw/zinc/76/33/75/357763375.db2.gz ZPQXXDYJKMFHCH-GWCFXTLKSA-N 2 2 290.367 -0.247 20 0 CBADLP C[C@H]([NH3+])CNC(=O)C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000642789291 357763380 /nfs/dbraw/zinc/76/33/80/357763380.db2.gz ZPQXXDYJKMFHCH-GWCFXTLKSA-N 2 2 290.367 -0.247 20 0 CBADLP [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC000642911597 357768447 /nfs/dbraw/zinc/76/84/47/357768447.db2.gz HNDDEZVXTLZXQW-RYUDHWBXSA-N 2 2 294.399 -0.321 20 0 CBADLP C[C@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000642989673 357774714 /nfs/dbraw/zinc/77/47/14/357774714.db2.gz GCHZPEJMEXTVOL-DGCLKSJQSA-N 2 2 294.399 -0.450 20 0 CBADLP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000642989674 357774862 /nfs/dbraw/zinc/77/48/62/357774862.db2.gz GCHZPEJMEXTVOL-WCQYABFASA-N 2 2 294.399 -0.450 20 0 CBADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C3CC3)CC2)[C@@H](C)C[NH2+]1 ZINC000643581100 357790061 /nfs/dbraw/zinc/79/00/61/357790061.db2.gz OKCVCHAMNLNNDV-NEPJUHHUSA-N 2 2 294.399 -0.498 20 0 CBADLP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000643581101 357790220 /nfs/dbraw/zinc/79/02/20/357790220.db2.gz OKCVCHAMNLNNDV-NWDGAFQWSA-N 2 2 294.399 -0.498 20 0 CBADLP CNC(=O)NC(=O)CC[N@@H+]1CC[C@@H](OC)C[C@@H]1C[NH3+] ZINC000161181532 283349333 /nfs/dbraw/zinc/34/93/33/283349333.db2.gz YCKSLUFQGDFANG-NXEZZACHSA-N 2 2 272.349 -0.730 20 0 CBADLP CNC(=O)NC(=O)CC[N@H+]1CC[C@@H](OC)C[C@@H]1C[NH3+] ZINC000161181532 283349334 /nfs/dbraw/zinc/34/93/34/283349334.db2.gz YCKSLUFQGDFANG-NXEZZACHSA-N 2 2 272.349 -0.730 20 0 CBADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCO[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000424181870 291210068 /nfs/dbraw/zinc/21/00/68/291210068.db2.gz DUTUBSHBLAKVSB-XQHKEYJVSA-N 2 2 283.372 -0.705 20 0 CBADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCO[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000424181870 291210071 /nfs/dbraw/zinc/21/00/71/291210071.db2.gz DUTUBSHBLAKVSB-XQHKEYJVSA-N 2 2 283.372 -0.705 20 0 CBADLP COC(=O)C[C@@H]1C(=O)NCC[N@H+]1CCn1cc[nH+]c1 ZINC000178473651 189119413 /nfs/dbraw/zinc/11/94/13/189119413.db2.gz OZFCPAJOYRVCMD-SNVBAGLBSA-N 2 2 266.301 -0.753 20 0 CBADLP COC(=O)C[C@@H]1C(=O)NCC[N@@H+]1CCn1cc[nH+]c1 ZINC000178473651 189119414 /nfs/dbraw/zinc/11/94/14/189119414.db2.gz OZFCPAJOYRVCMD-SNVBAGLBSA-N 2 2 266.301 -0.753 20 0 CBADLP O=C1C[C@H]([NH2+]Cc2cc[nH]n2)CN1CC[NH+]1CCOCC1 ZINC000178905134 189153957 /nfs/dbraw/zinc/15/39/57/189153957.db2.gz JKOBKLFIZMDZBH-ZDUSSCGKSA-N 2 2 293.371 -0.568 20 0 CBADLP [NH3+]C1(C[NH2+]CC(=O)NCCCN2CCCC2=O)CCC1 ZINC000342128145 216230113 /nfs/dbraw/zinc/23/01/13/216230113.db2.gz GFWATZPZLJOXPI-UHFFFAOYSA-N 2 2 282.388 -0.414 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N(C)CC[NH+]1CCOCC1 ZINC000342363687 216325806 /nfs/dbraw/zinc/32/58/06/216325806.db2.gz ADCCTRCDHOYXOY-OLZOCXBDSA-N 2 2 269.389 -0.025 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)CC[NH+]1CCOCC1 ZINC000342363687 216325807 /nfs/dbraw/zinc/32/58/07/216325807.db2.gz ADCCTRCDHOYXOY-OLZOCXBDSA-N 2 2 269.389 -0.025 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N(C)CC[NH+]1CCOCC1 ZINC000342363686 216327426 /nfs/dbraw/zinc/32/74/26/216327426.db2.gz ADCCTRCDHOYXOY-CHWSQXEVSA-N 2 2 269.389 -0.025 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)CC[NH+]1CCOCC1 ZINC000342363686 216327429 /nfs/dbraw/zinc/32/74/29/216327429.db2.gz ADCCTRCDHOYXOY-CHWSQXEVSA-N 2 2 269.389 -0.025 20 0 CBADLP C[C@@H]1C[N@H+](CCCn2cc[nH+]c2)C[C@H](C(N)=O)O1 ZINC000183186887 189349675 /nfs/dbraw/zinc/34/96/75/189349675.db2.gz QEXCBIHAMJOBGC-GHMZBOCLSA-N 2 2 252.318 -0.152 20 0 CBADLP C[C@@H]1C[N@@H+](CCCn2cc[nH+]c2)C[C@H](C(N)=O)O1 ZINC000183186887 189349676 /nfs/dbraw/zinc/34/96/76/189349676.db2.gz QEXCBIHAMJOBGC-GHMZBOCLSA-N 2 2 252.318 -0.152 20 0 CBADLP NC(=O)c1ccc(NC(=O)CC[N@H+](CC[NH3+])CCO)cc1 ZINC000342399098 216338535 /nfs/dbraw/zinc/33/85/35/216338535.db2.gz KNRFSHVMTOVAPX-UHFFFAOYSA-N 2 2 294.355 -0.633 20 0 CBADLP NC(=O)c1ccc(NC(=O)CC[N@@H+](CC[NH3+])CCO)cc1 ZINC000342399098 216338536 /nfs/dbraw/zinc/33/85/36/216338536.db2.gz KNRFSHVMTOVAPX-UHFFFAOYSA-N 2 2 294.355 -0.633 20 0 CBADLP Cc1nc(N2CC[NH+](CCCS(N)(=O)=O)CC2)cc[nH+]1 ZINC000183763598 189367479 /nfs/dbraw/zinc/36/74/79/189367479.db2.gz KIKCTMHFTAFPFK-UHFFFAOYSA-N 2 2 299.400 -0.414 20 0 CBADLP C[C@@H](NC(=O)C[N@@H+]1CC[C@](C)(C[NH3+])C1)C(=O)N(C)C ZINC000261652033 296048890 /nfs/dbraw/zinc/04/88/90/296048890.db2.gz HMNQOYFQLXQXAP-ZWNOBZJWSA-N 2 2 270.377 -0.750 20 0 CBADLP C[C@@H](NC(=O)C[N@H+]1CC[C@](C)(C[NH3+])C1)C(=O)N(C)C ZINC000261652033 296048891 /nfs/dbraw/zinc/04/88/91/296048891.db2.gz HMNQOYFQLXQXAP-ZWNOBZJWSA-N 2 2 270.377 -0.750 20 0 CBADLP Cc1nc(N2CC[NH+](CC3(CO)COC3)CC2)cc[nH+]1 ZINC000546104645 283762345 /nfs/dbraw/zinc/76/23/45/283762345.db2.gz MHRUTPPQRJXONE-UHFFFAOYSA-N 2 2 278.356 -0.084 20 0 CBADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)[C@H](C)[C@H](C)[NH3+])CC1 ZINC000192090478 189613680 /nfs/dbraw/zinc/61/36/80/189613680.db2.gz DQICVWSZZDVZFQ-OLZOCXBDSA-N 2 2 298.431 -0.018 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NCCC[NH+]1CCOCC1 ZINC000548191822 283816277 /nfs/dbraw/zinc/81/62/77/283816277.db2.gz QVHYEYPHOAJLDQ-UHFFFAOYSA-N 2 2 266.345 -0.199 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](N2CCCC2=O)C1 ZINC000574336481 335011550 /nfs/dbraw/zinc/01/15/50/335011550.db2.gz QXUFXKYREZZCHP-KGLIPLIRSA-N 2 2 299.415 -0.378 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](N2CCCC2=O)C1 ZINC000574336481 335011551 /nfs/dbraw/zinc/01/15/51/335011551.db2.gz QXUFXKYREZZCHP-KGLIPLIRSA-N 2 2 299.415 -0.378 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000574336481 335011553 /nfs/dbraw/zinc/01/15/53/335011553.db2.gz QXUFXKYREZZCHP-KGLIPLIRSA-N 2 2 299.415 -0.378 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000574336481 335011555 /nfs/dbraw/zinc/01/15/55/335011555.db2.gz QXUFXKYREZZCHP-KGLIPLIRSA-N 2 2 299.415 -0.378 20 0 CBADLP CC[N@H+](C)C[C@H](O)CN1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000574336226 335011684 /nfs/dbraw/zinc/01/16/84/335011684.db2.gz LOVHPYXBGVRDPB-SOUVJXGZSA-N 2 2 285.432 -0.049 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000574336226 335011689 /nfs/dbraw/zinc/01/16/89/335011689.db2.gz LOVHPYXBGVRDPB-SOUVJXGZSA-N 2 2 285.432 -0.049 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000574336226 335011691 /nfs/dbraw/zinc/01/16/91/335011691.db2.gz LOVHPYXBGVRDPB-SOUVJXGZSA-N 2 2 285.432 -0.049 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000574336226 335011692 /nfs/dbraw/zinc/01/16/92/335011692.db2.gz LOVHPYXBGVRDPB-SOUVJXGZSA-N 2 2 285.432 -0.049 20 0 CBADLP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[N@@H+]1CCO ZINC000330788057 203236913 /nfs/dbraw/zinc/23/69/13/203236913.db2.gz YCILCNHRSPKILY-LLVKDONJSA-N 2 2 266.345 -0.133 20 0 CBADLP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[N@H+]1CCO ZINC000330788057 203236916 /nfs/dbraw/zinc/23/69/16/203236916.db2.gz YCILCNHRSPKILY-LLVKDONJSA-N 2 2 266.345 -0.133 20 0 CBADLP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[N@@H+]1CCO ZINC000330788057 203236918 /nfs/dbraw/zinc/23/69/18/203236918.db2.gz YCILCNHRSPKILY-LLVKDONJSA-N 2 2 266.345 -0.133 20 0 CBADLP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[N@H+]1CCO ZINC000330788057 203236921 /nfs/dbraw/zinc/23/69/21/203236921.db2.gz YCILCNHRSPKILY-LLVKDONJSA-N 2 2 266.345 -0.133 20 0 CBADLP CC(=O)[C@](C)(O)C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000330827660 203285269 /nfs/dbraw/zinc/28/52/69/203285269.db2.gz GFDUOEFQNCDAHP-CYBMUJFWSA-N 2 2 266.345 -0.118 20 0 CBADLP COC(=O)[C@@](C)(O)C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000330729185 284225554 /nfs/dbraw/zinc/22/55/54/284225554.db2.gz HLFDKASYRUYSIF-OCCSQVGLSA-N 2 2 286.372 -0.436 20 0 CBADLP COC(=O)[C@@](C)(O)C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000330729185 284225555 /nfs/dbraw/zinc/22/55/55/284225555.db2.gz HLFDKASYRUYSIF-OCCSQVGLSA-N 2 2 286.372 -0.436 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)C[C@H]2COCC[NH2+]2)CCO1 ZINC000574403052 335016759 /nfs/dbraw/zinc/01/67/59/335016759.db2.gz VSZLNDPMFRNLJY-NEPJUHHUSA-N 2 2 271.361 -0.798 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)C[C@H]2COCC[NH2+]2)CCO1 ZINC000574403052 335016760 /nfs/dbraw/zinc/01/67/60/335016760.db2.gz VSZLNDPMFRNLJY-NEPJUHHUSA-N 2 2 271.361 -0.798 20 0 CBADLP C[C@@H]1OCC[NH2+][C@H]1C(=O)NCCCn1cc[nH+]c1 ZINC000344143094 217070178 /nfs/dbraw/zinc/07/01/78/217070178.db2.gz PEHLKTBLMKJMRE-WDEREUQCSA-N 2 2 252.318 -0.234 20 0 CBADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)NCCCC[NH+]1CCOCC1 ZINC000344472464 217201365 /nfs/dbraw/zinc/20/13/65/217201365.db2.gz KBNJCKRMADBFFC-OLZOCXBDSA-N 2 2 285.388 -0.408 20 0 CBADLP C[C@H](C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1)[NH+]1CCOCC1 ZINC000353393666 220061104 /nfs/dbraw/zinc/06/11/04/220061104.db2.gz BFVJDKOXNFUFMX-FRRDWIJNSA-N 2 2 267.373 -0.225 20 0 CBADLP CC[C@H]([NH3+])C(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC000037819288 372758936 /nfs/dbraw/zinc/75/89/36/372758936.db2.gz KBQSUZFNJCUZEA-NSHDSACASA-N 2 2 270.377 -0.654 20 0 CBADLP CC[C@H]([NH3+])C(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC000037819288 372758952 /nfs/dbraw/zinc/75/89/52/372758952.db2.gz KBQSUZFNJCUZEA-NSHDSACASA-N 2 2 270.377 -0.654 20 0 CBADLP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCC[NH+]1CCOCC1 ZINC000333141566 205065830 /nfs/dbraw/zinc/06/58/30/205065830.db2.gz JLABJHAKQVQBTG-RYUDHWBXSA-N 2 2 270.377 -0.384 20 0 CBADLP CC(C)C[C@H](CNC(=O)[C@@H]1COCC[NH2+]1)[NH+]1CCOCC1 ZINC000088371649 372772376 /nfs/dbraw/zinc/77/23/76/372772376.db2.gz IUONSPVHVHTVKB-KGLIPLIRSA-N 2 2 299.415 -0.162 20 0 CBADLP CC1(C)COCC[N@@H+]1CCNC(=O)C[NH2+]C1CC1 ZINC000178925336 372840819 /nfs/dbraw/zinc/84/08/19/372840819.db2.gz RKRPRNMMTNZUMN-UHFFFAOYSA-N 2 2 255.362 -0.035 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@H]2CSC[NH2+]2)C[C@H]1[NH+]1CCOCC1 ZINC000178862309 372841588 /nfs/dbraw/zinc/84/15/88/372841588.db2.gz RXMAFQJRQJIFFX-GRYCIOLGSA-N 2 2 285.413 -0.172 20 0 CBADLP O=C([C@H]1C[NH2+]CCO1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000188111339 372849931 /nfs/dbraw/zinc/84/99/31/372849931.db2.gz LGLNUQRGTSWGFK-CHWSQXEVSA-N 2 2 283.372 -0.702 20 0 CBADLP CC[C@]1(CO)CCC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000189688424 372854330 /nfs/dbraw/zinc/85/43/30/372854330.db2.gz IDVGVLGSMCSJBT-CQSZACIVSA-N 2 2 269.389 -0.003 20 0 CBADLP CC[C@]1(CO)CCC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000189688424 372854334 /nfs/dbraw/zinc/85/43/34/372854334.db2.gz IDVGVLGSMCSJBT-CQSZACIVSA-N 2 2 269.389 -0.003 20 0 CBADLP CO[C@H](C[NH3+])C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000353464762 220099294 /nfs/dbraw/zinc/09/92/94/220099294.db2.gz YTSSCYSRSIJXKH-GFCCVEGCSA-N 3 2 272.393 -0.898 20 0 CBADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]([NH3+])C(C)C)CC1 ZINC000353470816 220102181 /nfs/dbraw/zinc/10/21/81/220102181.db2.gz LBZNLMHPKCVOBL-CYBMUJFWSA-N 2 2 284.404 -0.360 20 0 CBADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]([NH3+])C(C)C)CC1 ZINC000353470816 220102184 /nfs/dbraw/zinc/10/21/84/220102184.db2.gz LBZNLMHPKCVOBL-CYBMUJFWSA-N 2 2 284.404 -0.360 20 0 CBADLP CN(C)C(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000227805454 372877201 /nfs/dbraw/zinc/87/72/01/372877201.db2.gz TXBKZDKBTLWQAQ-QWHCGFSZSA-N 2 2 296.415 -0.264 20 0 CBADLP CN(C)C(=O)C[N@H+]1CCCN(C(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000227805454 372877208 /nfs/dbraw/zinc/87/72/08/372877208.db2.gz TXBKZDKBTLWQAQ-QWHCGFSZSA-N 2 2 296.415 -0.264 20 0 CBADLP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000230216587 372878622 /nfs/dbraw/zinc/87/86/22/372878622.db2.gz YFGGMOHGPOAWJC-SDDRHHMPSA-N 2 2 255.362 -0.097 20 0 CBADLP CN(C)C(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCC[C@H]2[NH3+])CC1 ZINC000250346770 372895922 /nfs/dbraw/zinc/89/59/22/372895922.db2.gz QODWYPYSYFLGGR-QWHCGFSZSA-N 2 2 296.415 -0.264 20 0 CBADLP CN(C)C(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCC[C@H]2[NH3+])CC1 ZINC000250346770 372895930 /nfs/dbraw/zinc/89/59/30/372895930.db2.gz QODWYPYSYFLGGR-QWHCGFSZSA-N 2 2 296.415 -0.264 20 0 CBADLP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H]1COCC[NH2+]1 ZINC000251842591 372896802 /nfs/dbraw/zinc/89/68/02/372896802.db2.gz QPMPXDNCFDUXRE-IJLUTSLNSA-N 2 2 253.346 -0.330 20 0 CBADLP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@H]1COCC[NH2+]1 ZINC000251842591 372896810 /nfs/dbraw/zinc/89/68/10/372896810.db2.gz QPMPXDNCFDUXRE-IJLUTSLNSA-N 2 2 253.346 -0.330 20 0 CBADLP CO[C@H](C[NH3+])C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000353476787 220105808 /nfs/dbraw/zinc/10/58/08/220105808.db2.gz ZGHJQYKAVCBRKQ-HBNTYKKESA-N 2 2 259.350 -0.815 20 0 CBADLP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)CN1CC[NH2+]CC1=O ZINC000238005327 372880578 /nfs/dbraw/zinc/88/05/78/372880578.db2.gz SESDUTRIGGCUPI-GHMZBOCLSA-N 2 2 268.361 -0.948 20 0 CBADLP C[C@@H](NC(=O)[C@@H]1CC[C@H](C[NH3+])O1)[C@@H](C)[NH+]1CCOCC1 ZINC000261778474 372907387 /nfs/dbraw/zinc/90/73/87/372907387.db2.gz MVTRFFGHXFHNAO-LPWJVIDDSA-N 2 2 285.388 -0.282 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](C)CCN2C)C1 ZINC000353497205 220117357 /nfs/dbraw/zinc/11/73/57/220117357.db2.gz CDCFJLKODLHSQH-OLZOCXBDSA-N 2 2 284.404 -0.931 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](C)CCN2C)C1 ZINC000353497205 220117360 /nfs/dbraw/zinc/11/73/60/220117360.db2.gz CDCFJLKODLHSQH-OLZOCXBDSA-N 2 2 284.404 -0.931 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@H+](C)CCN2C)C1 ZINC000353497205 220117363 /nfs/dbraw/zinc/11/73/63/220117363.db2.gz CDCFJLKODLHSQH-OLZOCXBDSA-N 2 2 284.404 -0.931 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)C1 ZINC000353497205 220117365 /nfs/dbraw/zinc/11/73/65/220117365.db2.gz CDCFJLKODLHSQH-OLZOCXBDSA-N 2 2 284.404 -0.931 20 0 CBADLP Cn1cc[nH+]c1[C@H]1CN(C(=O)C2(C)C[NH2+]C2)CCN1C ZINC000333328181 205221181 /nfs/dbraw/zinc/22/11/81/205221181.db2.gz VRGPECOMDKUFFR-LLVKDONJSA-N 2 2 277.372 -0.155 20 0 CBADLP C[NH2+][C@@H](C(=O)N1CC[NH+](C)CC1)c1cnn(C)c1 ZINC000285858405 372943806 /nfs/dbraw/zinc/94/38/06/372943806.db2.gz AXUGBIJRHCVTFU-LLVKDONJSA-N 2 2 251.334 -0.545 20 0 CBADLP C[NH+](C)[C@@H](CNC(=O)[C@@H]([NH3+])CC(N)=O)c1ccsc1 ZINC000353505517 220122606 /nfs/dbraw/zinc/12/26/06/220122606.db2.gz HCUHLOGISNVEKO-UWVGGRQHSA-N 2 2 284.385 -0.330 20 0 CBADLP Cn1c[nH+]cc1CNC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000292681539 372960488 /nfs/dbraw/zinc/96/04/88/372960488.db2.gz MPVZHBXLKRNPPE-NSHDSACASA-N 2 2 293.371 -0.554 20 0 CBADLP C[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+](C)CC2)[C@H]1CO ZINC000305768049 372966658 /nfs/dbraw/zinc/96/66/58/372966658.db2.gz UFADVOYWGKAYEQ-OLZOCXBDSA-N 2 2 269.389 -0.147 20 0 CBADLP C[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)[C@H]1CO ZINC000305768049 372966666 /nfs/dbraw/zinc/96/66/66/372966666.db2.gz UFADVOYWGKAYEQ-OLZOCXBDSA-N 2 2 269.389 -0.147 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2COCC2(C)C)CC1 ZINC000313062604 372968770 /nfs/dbraw/zinc/96/87/70/372968770.db2.gz PJSHIULQXHHVOV-NSHDSACASA-N 2 2 255.362 -0.225 20 0 CBADLP C[C@H]([C@H](C)NC(=O)N[C@@H]1CC[NH2+]C1)[NH+]1CCOCC1 ZINC000333403283 205292475 /nfs/dbraw/zinc/29/24/75/205292475.db2.gz QGAKKAJPQSTOMJ-QJPTWQEYSA-N 2 2 270.377 -0.243 20 0 CBADLP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NCc1[nH+]ccn1C ZINC000286087700 372954533 /nfs/dbraw/zinc/95/45/33/372954533.db2.gz UOBVYMNRSDKCKB-LLVKDONJSA-N 2 2 295.387 -0.117 20 0 CBADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NCc1[nH+]ccn1C ZINC000286087700 372954542 /nfs/dbraw/zinc/95/45/42/372954542.db2.gz UOBVYMNRSDKCKB-LLVKDONJSA-N 2 2 295.387 -0.117 20 0 CBADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH+]1CCNC(=O)C1 ZINC000344748869 217297389 /nfs/dbraw/zinc/29/73/89/217297389.db2.gz VWEDAPMDAOTQSQ-CYBMUJFWSA-N 2 2 296.415 -0.201 20 0 CBADLP CC[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH+]1CCNC(=O)C1 ZINC000344748869 217297390 /nfs/dbraw/zinc/29/73/90/217297390.db2.gz VWEDAPMDAOTQSQ-CYBMUJFWSA-N 2 2 296.415 -0.201 20 0 CBADLP CC[NH+]1CCCC[C@@H]1C(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000344748869 217297393 /nfs/dbraw/zinc/29/73/93/217297393.db2.gz VWEDAPMDAOTQSQ-CYBMUJFWSA-N 2 2 296.415 -0.201 20 0 CBADLP CC[NH+]1CCCC[C@@H]1C(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000344748869 217297394 /nfs/dbraw/zinc/29/73/94/217297394.db2.gz VWEDAPMDAOTQSQ-CYBMUJFWSA-N 2 2 296.415 -0.201 20 0 CBADLP CN1C(=O)N[C@@]2(CC[N@H+](C[C@H](O)C[NH+](C)C3CC3)C2)C1=O ZINC000329826002 372982489 /nfs/dbraw/zinc/98/24/89/372982489.db2.gz IIJBCJMECLDRRO-BXUZGUMPSA-N 2 2 296.371 -0.728 20 0 CBADLP CN1C(=O)N[C@@]2(CC[N@@H+](C[C@H](O)C[NH+](C)C3CC3)C2)C1=O ZINC000329826002 372982496 /nfs/dbraw/zinc/98/24/96/372982496.db2.gz IIJBCJMECLDRRO-BXUZGUMPSA-N 2 2 296.371 -0.728 20 0 CBADLP CN1C(=O)N[C@@]2(CC[NH+](C[C@H](O)C[N@H+](C)C3CC3)C2)C1=O ZINC000329826002 372982503 /nfs/dbraw/zinc/98/25/03/372982503.db2.gz IIJBCJMECLDRRO-BXUZGUMPSA-N 2 2 296.371 -0.728 20 0 CBADLP CN1C(=O)N[C@@]2(CC[NH+](C[C@H](O)C[N@@H+](C)C3CC3)C2)C1=O ZINC000329826002 372982508 /nfs/dbraw/zinc/98/25/08/372982508.db2.gz IIJBCJMECLDRRO-BXUZGUMPSA-N 2 2 296.371 -0.728 20 0 CBADLP CC(C)[C@H]1C[N@H+](C)CCN1C[C@@H](O)C[NH+]1CCOCC1 ZINC000336827008 373024874 /nfs/dbraw/zinc/02/48/74/373024874.db2.gz ZTPISKATUSNQJZ-LSDHHAIUSA-N 2 2 285.432 -0.049 20 0 CBADLP CC(C)[C@H]1C[N@@H+](C)CCN1C[C@@H](O)C[NH+]1CCOCC1 ZINC000336827008 373024877 /nfs/dbraw/zinc/02/48/77/373024877.db2.gz ZTPISKATUSNQJZ-LSDHHAIUSA-N 2 2 285.432 -0.049 20 0 CBADLP CC1(C)C[N@H+](CCNC(=O)N[C@@H]2CC[NH2+]C2)CCO1 ZINC000333804078 373014511 /nfs/dbraw/zinc/01/45/11/373014511.db2.gz ONJFSCJIUDQZNX-LLVKDONJSA-N 2 2 270.377 -0.242 20 0 CBADLP CC1(C)C[N@@H+](CCNC(=O)N[C@@H]2CC[NH2+]C2)CCO1 ZINC000333804078 373014516 /nfs/dbraw/zinc/01/45/16/373014516.db2.gz ONJFSCJIUDQZNX-LLVKDONJSA-N 2 2 270.377 -0.242 20 0 CBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CNC(N)=O ZINC000344789678 217312529 /nfs/dbraw/zinc/31/25/29/217312529.db2.gz MIZOBPAFPOLFFM-UHFFFAOYSA-N 2 2 285.392 -0.861 20 0 CBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CNC(N)=O ZINC000344789678 217312532 /nfs/dbraw/zinc/31/25/32/217312532.db2.gz MIZOBPAFPOLFFM-UHFFFAOYSA-N 2 2 285.392 -0.861 20 0 CBADLP CC(C)[C@H]1C[N@H+](C)CCN1C[C@H](O)C[NH+]1CCOCC1 ZINC000336827007 373023850 /nfs/dbraw/zinc/02/38/50/373023850.db2.gz ZTPISKATUSNQJZ-HUUCEWRRSA-N 2 2 285.432 -0.049 20 0 CBADLP CC(C)[C@H]1C[N@@H+](C)CCN1C[C@H](O)C[NH+]1CCOCC1 ZINC000336827007 373023860 /nfs/dbraw/zinc/02/38/60/373023860.db2.gz ZTPISKATUSNQJZ-HUUCEWRRSA-N 2 2 285.432 -0.049 20 0 CBADLP CC(=O)N1CCN(CC[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000343278450 373049502 /nfs/dbraw/zinc/04/95/02/373049502.db2.gz JXBVXWMDTFDIQX-GXTWGEPZSA-N 2 2 268.405 -0.310 20 0 CBADLP CC(=O)N1CCN(CC[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000343278450 373049516 /nfs/dbraw/zinc/04/95/16/373049516.db2.gz JXBVXWMDTFDIQX-GXTWGEPZSA-N 2 2 268.405 -0.310 20 0 CBADLP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000333495592 205372718 /nfs/dbraw/zinc/37/27/18/205372718.db2.gz CTZKBSSKAFRHTQ-TUAOUCFPSA-N 2 2 270.377 -0.243 20 0 CBADLP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000333495592 205372721 /nfs/dbraw/zinc/37/27/21/205372721.db2.gz CTZKBSSKAFRHTQ-TUAOUCFPSA-N 2 2 270.377 -0.243 20 0 CBADLP C[C@@H](O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000345145576 373061696 /nfs/dbraw/zinc/06/16/96/373061696.db2.gz ARPKNDFXCRKWQU-LLVKDONJSA-N 2 2 257.378 -0.148 20 0 CBADLP C[C@@H](O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000345145576 373061700 /nfs/dbraw/zinc/06/17/00/373061700.db2.gz ARPKNDFXCRKWQU-LLVKDONJSA-N 2 2 257.378 -0.148 20 0 CBADLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC(=O)NCC(=O)N3CCCC3)C[C@@H]12 ZINC000351496683 373094398 /nfs/dbraw/zinc/09/43/98/373094398.db2.gz RULRFMPJCVANTJ-JHJVBQTASA-N 2 2 294.399 -0.606 20 0 CBADLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC(=O)NCC(=O)N3CCCC3)C[C@@H]12 ZINC000351496683 373094409 /nfs/dbraw/zinc/09/44/09/373094409.db2.gz RULRFMPJCVANTJ-JHJVBQTASA-N 2 2 294.399 -0.606 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2[C@H](C1)OCC[NH+]2C ZINC000352276042 373103058 /nfs/dbraw/zinc/10/30/58/373103058.db2.gz RRNIGWQEEYMNAT-NEPJUHHUSA-N 2 2 255.362 -0.132 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]2[C@H](C1)OCC[NH+]2C ZINC000352276042 373103067 /nfs/dbraw/zinc/10/30/67/373103067.db2.gz RRNIGWQEEYMNAT-NEPJUHHUSA-N 2 2 255.362 -0.132 20 0 CBADLP CC(C)[NH+](C)CC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000352276042 373103071 /nfs/dbraw/zinc/10/30/71/373103071.db2.gz RRNIGWQEEYMNAT-NEPJUHHUSA-N 2 2 255.362 -0.132 20 0 CBADLP CC(C)[NH+](C)CC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000352276042 373103077 /nfs/dbraw/zinc/10/30/77/373103077.db2.gz RRNIGWQEEYMNAT-NEPJUHHUSA-N 2 2 255.362 -0.132 20 0 CBADLP CC(C)[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1nncn1C ZINC000352466747 373105871 /nfs/dbraw/zinc/10/58/71/373105871.db2.gz FFBIZVILDBHAAQ-ZDUSSCGKSA-N 2 2 294.403 -0.124 20 0 CBADLP C[C@@H](C(=O)NCC[N@@H+]1CCOC[C@H]1C)N1CC[NH+](C)CC1 ZINC000355703216 373149099 /nfs/dbraw/zinc/14/90/99/373149099.db2.gz XEXHGMMGBCWXOY-KGLIPLIRSA-N 2 2 298.431 -0.541 20 0 CBADLP C[C@@H](C(=O)NCC[N@H+]1CCOC[C@H]1C)N1CC[NH+](C)CC1 ZINC000355703216 373149104 /nfs/dbraw/zinc/14/91/04/373149104.db2.gz XEXHGMMGBCWXOY-KGLIPLIRSA-N 2 2 298.431 -0.541 20 0 CBADLP COCCn1cc(C[NH2+]C[C@](C)(O)C[NH+](C)C)cn1 ZINC000344843464 217330426 /nfs/dbraw/zinc/33/04/26/217330426.db2.gz FYONHNYCRBRXTC-ZDUSSCGKSA-N 2 2 270.377 -0.068 20 0 CBADLP Cn1cc(C[NH+]2CCN(C(=O)C3([NH3+])CC3)CC2)cn1 ZINC000353576123 220168067 /nfs/dbraw/zinc/16/80/67/220168067.db2.gz HLMUZPQXZPEURI-UHFFFAOYSA-N 2 2 263.345 -0.444 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH+]2CCOCC2)C1 ZINC000360490318 373200282 /nfs/dbraw/zinc/20/02/82/373200282.db2.gz SRQIOPRXOUPQOJ-GFCCVEGCSA-N 2 2 271.361 -0.845 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH+]2CCOCC2)C1 ZINC000360490318 373200294 /nfs/dbraw/zinc/20/02/94/373200294.db2.gz SRQIOPRXOUPQOJ-GFCCVEGCSA-N 2 2 271.361 -0.845 20 0 CBADLP COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360566084 373208762 /nfs/dbraw/zinc/20/87/62/373208762.db2.gz XDOUUAJYEVIFER-SMDDNHRTSA-N 2 2 298.387 -0.468 20 0 CBADLP COC[C@H](C)NC(=O)NC(=O)C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360566084 373208772 /nfs/dbraw/zinc/20/87/72/373208772.db2.gz XDOUUAJYEVIFER-SMDDNHRTSA-N 2 2 298.387 -0.468 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC(F)(F)[C@@H](CO)C2)CC1 ZINC000361402019 373291087 /nfs/dbraw/zinc/29/10/87/373291087.db2.gz FPKKOYVVADTASX-LLVKDONJSA-N 2 2 291.342 -0.290 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC(F)(F)[C@@H](CO)C2)CC1 ZINC000361402019 373291097 /nfs/dbraw/zinc/29/10/97/373291097.db2.gz FPKKOYVVADTASX-LLVKDONJSA-N 2 2 291.342 -0.290 20 0 CBADLP CC(C)NC(=O)C[N@@H+]1CCCN(C(=O)C(C)(C)[NH3+])CC1 ZINC000361720103 373330248 /nfs/dbraw/zinc/33/02/48/373330248.db2.gz XIWZIPSTFXRVDA-UHFFFAOYSA-N 2 2 284.404 -0.217 20 0 CBADLP CC(C)NC(=O)C[N@H+]1CCCN(C(=O)C(C)(C)[NH3+])CC1 ZINC000361720103 373330253 /nfs/dbraw/zinc/33/02/53/373330253.db2.gz XIWZIPSTFXRVDA-UHFFFAOYSA-N 2 2 284.404 -0.217 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000362497368 373417372 /nfs/dbraw/zinc/41/73/72/373417372.db2.gz HKFYQKIDPXFZKK-CYBMUJFWSA-N 2 2 298.431 -0.005 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000362497368 373417376 /nfs/dbraw/zinc/41/73/76/373417376.db2.gz HKFYQKIDPXFZKK-CYBMUJFWSA-N 2 2 298.431 -0.005 20 0 CBADLP CCC[N@H+](C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)OC ZINC000344991110 217380236 /nfs/dbraw/zinc/38/02/36/217380236.db2.gz ZHCPQRJBWBRQFW-NSHDSACASA-N 2 2 282.344 -0.048 20 0 CBADLP CCC[N@@H+](C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)OC ZINC000344991110 217380237 /nfs/dbraw/zinc/38/02/37/217380237.db2.gz ZHCPQRJBWBRQFW-NSHDSACASA-N 2 2 282.344 -0.048 20 0 CBADLP CCC[N@H+](C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)OC ZINC000344991110 217380239 /nfs/dbraw/zinc/38/02/39/217380239.db2.gz ZHCPQRJBWBRQFW-NSHDSACASA-N 2 2 282.344 -0.048 20 0 CBADLP CCC[N@@H+](C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)OC ZINC000344991110 217380240 /nfs/dbraw/zinc/38/02/40/217380240.db2.gz ZHCPQRJBWBRQFW-NSHDSACASA-N 2 2 282.344 -0.048 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1C[N@H+](C)C[C@H]1C)[NH+]1CCN(C)CC1 ZINC000362763876 373444029 /nfs/dbraw/zinc/44/40/29/373444029.db2.gz WZWRGWHMEUCJQX-RDBSUJKOSA-N 2 2 282.432 -0.064 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C)[NH+]1CCN(C)CC1 ZINC000362763876 373444034 /nfs/dbraw/zinc/44/40/34/373444034.db2.gz WZWRGWHMEUCJQX-RDBSUJKOSA-N 2 2 282.432 -0.064 20 0 CBADLP C[C@H](C(=O)NC1CC1)[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362836214 373452042 /nfs/dbraw/zinc/45/20/42/373452042.db2.gz FCKBXANFSYSAII-DGCLKSJQSA-N 2 2 294.399 -0.450 20 0 CBADLP C[C@H](C(=O)NC1CC1)[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362836214 373452047 /nfs/dbraw/zinc/45/20/47/373452047.db2.gz FCKBXANFSYSAII-DGCLKSJQSA-N 2 2 294.399 -0.450 20 0 CBADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](C[C@H]2CCOC2)C1 ZINC000362827713 373452194 /nfs/dbraw/zinc/45/21/94/373452194.db2.gz UUNBWQNOKYBITD-OLZOCXBDSA-N 2 2 267.373 -0.081 20 0 CBADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](C[C@H]2CCOC2)C1 ZINC000362827713 373452197 /nfs/dbraw/zinc/45/21/97/373452197.db2.gz UUNBWQNOKYBITD-OLZOCXBDSA-N 2 2 267.373 -0.081 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1C[C@@H]2[C@H](C1)OCC[NH+]2C ZINC000362883395 373458843 /nfs/dbraw/zinc/45/88/43/373458843.db2.gz QZLZFOMUPXAISL-XQHKEYJVSA-N 2 2 267.373 -0.275 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1C[C@@H]2[C@H](C1)OCC[NH+]2C ZINC000362883395 373458851 /nfs/dbraw/zinc/45/88/51/373458851.db2.gz QZLZFOMUPXAISL-XQHKEYJVSA-N 2 2 267.373 -0.275 20 0 CBADLP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000362883395 373458859 /nfs/dbraw/zinc/45/88/59/373458859.db2.gz QZLZFOMUPXAISL-XQHKEYJVSA-N 2 2 267.373 -0.275 20 0 CBADLP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000362883395 373458865 /nfs/dbraw/zinc/45/88/65/373458865.db2.gz QZLZFOMUPXAISL-XQHKEYJVSA-N 2 2 267.373 -0.275 20 0 CBADLP Cn1cc(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cn1 ZINC000362695925 373436108 /nfs/dbraw/zinc/43/61/08/373436108.db2.gz WVEQNTPCEMVKTN-CYBMUJFWSA-N 2 2 277.372 -0.184 20 0 CBADLP Cn1cc(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cn1 ZINC000362695925 373436115 /nfs/dbraw/zinc/43/61/15/373436115.db2.gz WVEQNTPCEMVKTN-CYBMUJFWSA-N 2 2 277.372 -0.184 20 0 CBADLP CNC(=O)NC(=O)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366558284 373531381 /nfs/dbraw/zinc/53/13/81/373531381.db2.gz KTOJJTMAYGZANB-GFCCVEGCSA-N 2 2 254.334 -0.530 20 0 CBADLP CNC(=O)NC(=O)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366558284 373531386 /nfs/dbraw/zinc/53/13/86/373531386.db2.gz KTOJJTMAYGZANB-GFCCVEGCSA-N 2 2 254.334 -0.530 20 0 CBADLP CNC(=O)NC(=O)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000366558284 373531395 /nfs/dbraw/zinc/53/13/95/373531395.db2.gz KTOJJTMAYGZANB-GFCCVEGCSA-N 2 2 254.334 -0.530 20 0 CBADLP CNC(=O)NC(=O)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000366558284 373531399 /nfs/dbraw/zinc/53/13/99/373531399.db2.gz KTOJJTMAYGZANB-GFCCVEGCSA-N 2 2 254.334 -0.530 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]3COC[C@H]32)CC1 ZINC000367081416 373533320 /nfs/dbraw/zinc/53/33/20/373533320.db2.gz SLQIATFKZBBFID-QWHCGFSZSA-N 2 2 267.373 -0.129 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]3COC[C@H]32)CC1 ZINC000367081416 373533330 /nfs/dbraw/zinc/53/33/30/373533330.db2.gz SLQIATFKZBBFID-QWHCGFSZSA-N 2 2 267.373 -0.129 20 0 CBADLP CCC[C@@H](C(=O)N1CCC[N@H+](CC(=O)NC)CC1)[NH+](C)C ZINC000378320487 373577539 /nfs/dbraw/zinc/57/75/39/373577539.db2.gz PSGTYVXSKJOIGW-ZDUSSCGKSA-N 2 2 298.431 -0.003 20 0 CBADLP CCC[C@@H](C(=O)N1CCC[N@@H+](CC(=O)NC)CC1)[NH+](C)C ZINC000378320487 373577548 /nfs/dbraw/zinc/57/75/48/373577548.db2.gz PSGTYVXSKJOIGW-ZDUSSCGKSA-N 2 2 298.431 -0.003 20 0 CBADLP CC[C@H]([NH3+])CNC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000417040776 373626386 /nfs/dbraw/zinc/62/63/86/373626386.db2.gz VVGIBIUFKLRCQA-QWRGUYRKSA-N 2 2 258.366 -0.256 20 0 CBADLP C[C@@H](NC(=O)NCC(F)(F)C[NH3+])[C@@H](C)[NH+]1CCOCC1 ZINC000417516026 373628709 /nfs/dbraw/zinc/62/87/09/373628709.db2.gz FTTKWTGNANOURH-NXEZZACHSA-N 2 2 294.346 -0.011 20 0 CBADLP [NH3+]C[C@H]1CN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)CCO1 ZINC000423535583 373658061 /nfs/dbraw/zinc/65/80/61/373658061.db2.gz DLBYVMJLWMWFOE-UONOGXRCSA-N 2 2 297.399 -0.327 20 0 CBADLP [NH3+]C[C@H]1CN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)CCO1 ZINC000423535583 373658069 /nfs/dbraw/zinc/65/80/69/373658069.db2.gz DLBYVMJLWMWFOE-UONOGXRCSA-N 2 2 297.399 -0.327 20 0 CBADLP C[C@H](O)C[NH+]1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)CC1 ZINC000493335446 373711177 /nfs/dbraw/zinc/71/11/77/373711177.db2.gz NQEVBQQZZMAONT-VUDBWIFFSA-N 2 2 264.329 -0.052 20 0 CBADLP C[N@@H+]1CCO[C@H](CNC(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493464109 373714639 /nfs/dbraw/zinc/71/46/39/373714639.db2.gz LCZSFGJBAZMOQF-VMZHVLLKSA-N 2 2 250.302 -0.130 20 0 CBADLP C[N@H+]1CCO[C@H](CNC(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493464109 373714648 /nfs/dbraw/zinc/71/46/48/373714648.db2.gz LCZSFGJBAZMOQF-VMZHVLLKSA-N 2 2 250.302 -0.130 20 0 CBADLP CO[C@H](C[NH3+])CC(=O)N(CC1CC1)C[C@@H]1C[N@H+](C)CCO1 ZINC000423863049 373663592 /nfs/dbraw/zinc/66/35/92/373663592.db2.gz HDRIQRAPKKMOHK-KBPBESRZSA-N 2 2 299.415 -0.081 20 0 CBADLP CO[C@H](C[NH3+])CC(=O)N(CC1CC1)C[C@@H]1C[N@@H+](C)CCO1 ZINC000423863049 373663610 /nfs/dbraw/zinc/66/36/10/373663610.db2.gz HDRIQRAPKKMOHK-KBPBESRZSA-N 2 2 299.415 -0.081 20 0 CBADLP C[C@H](C(=O)N(C)[C@H](C[NH3+])C1CC1)[NH+]1CCOCC1 ZINC000423965725 373663764 /nfs/dbraw/zinc/66/37/64/373663764.db2.gz YJKNTOFEFKWFMF-ZYHUDNBSSA-N 2 2 255.362 -0.097 20 0 CBADLP Cn1cc[nH+]c1[C@@H]1CN(C(=O)[C@H]2C[NH2+]CCO2)CCN1C ZINC000424171543 373665586 /nfs/dbraw/zinc/66/55/86/373665586.db2.gz MCRRUQLRKOUJQY-NWDGAFQWSA-N 2 2 293.371 -0.776 20 0 CBADLP COCCCS(=O)(=O)NCC[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000430918825 373675418 /nfs/dbraw/zinc/67/54/18/373675418.db2.gz OAGUDNJGMDBNCM-LLVKDONJSA-N 2 2 279.406 -0.777 20 0 CBADLP COCCCS(=O)(=O)NCC[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430918825 373675422 /nfs/dbraw/zinc/67/54/22/373675422.db2.gz OAGUDNJGMDBNCM-LLVKDONJSA-N 2 2 279.406 -0.777 20 0 CBADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)CN1CC[NH2+]CC1=O ZINC000514604951 373757135 /nfs/dbraw/zinc/75/71/35/373757135.db2.gz KBYWQWPXONLEGG-LBPRGKRZSA-N 2 2 282.388 -0.783 20 0 CBADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)CN1CC[NH2+]CC1=O ZINC000514604951 373757140 /nfs/dbraw/zinc/75/71/40/373757140.db2.gz KBYWQWPXONLEGG-LBPRGKRZSA-N 2 2 282.388 -0.783 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@H](CO)C[NH+]1CCCCC1 ZINC000516420066 373811845 /nfs/dbraw/zinc/81/18/45/373811845.db2.gz WZSLRJQUKZRIEQ-LBPRGKRZSA-N 2 2 266.345 -0.154 20 0 CBADLP CC(C)N1CC[C@H]([N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C1=O ZINC000520253945 373830190 /nfs/dbraw/zinc/83/01/90/373830190.db2.gz FHQGHKHNFJPXFB-UTUOFQBUSA-N 2 2 280.372 -0.761 20 0 CBADLP CC(C)N1CC[C@H]([N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C1=O ZINC000520253945 373830197 /nfs/dbraw/zinc/83/01/97/373830197.db2.gz FHQGHKHNFJPXFB-UTUOFQBUSA-N 2 2 280.372 -0.761 20 0 CBADLP CC(C)N1CC[C@H]([N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C1=O ZINC000520253946 373830812 /nfs/dbraw/zinc/83/08/12/373830812.db2.gz FHQGHKHNFJPXFB-WOPDTQHZSA-N 2 2 280.372 -0.761 20 0 CBADLP CC(C)N1CC[C@H]([N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C1=O ZINC000520253946 373830819 /nfs/dbraw/zinc/83/08/19/373830819.db2.gz FHQGHKHNFJPXFB-WOPDTQHZSA-N 2 2 280.372 -0.761 20 0 CBADLP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)CN1CC[NH2+]CC1=O ZINC000521040376 373837292 /nfs/dbraw/zinc/83/72/92/373837292.db2.gz CLEUJEZSVOOVQE-GFCCVEGCSA-N 2 2 296.415 -0.393 20 0 CBADLP C[N@@H+]1CCC[C@@H](CNC(=O)NCC[NH+]2CCOCC2)C1 ZINC000521746187 373848341 /nfs/dbraw/zinc/84/83/41/373848341.db2.gz CUPVYBVJHVFKJS-ZDUSSCGKSA-N 2 2 284.404 -0.040 20 0 CBADLP C[N@H+]1CCC[C@@H](CNC(=O)NCC[NH+]2CCOCC2)C1 ZINC000521746187 373848352 /nfs/dbraw/zinc/84/83/52/373848352.db2.gz CUPVYBVJHVFKJS-ZDUSSCGKSA-N 2 2 284.404 -0.040 20 0 CBADLP C[N@@H+]1CCN(C(=O)N[C@H]2CC[NH2+]C23CCC3)[C@@H](C[NH3+])C1 ZINC000529347343 374008828 /nfs/dbraw/zinc/00/88/28/374008828.db2.gz CKYROCGWOICMMI-RYUDHWBXSA-N 3 2 281.404 -0.445 20 0 CBADLP C[N@H+]1CCN(C(=O)N[C@H]2CC[NH2+]C23CCC3)[C@@H](C[NH3+])C1 ZINC000529347343 374008834 /nfs/dbraw/zinc/00/88/34/374008834.db2.gz CKYROCGWOICMMI-RYUDHWBXSA-N 3 2 281.404 -0.445 20 0 CBADLP C[N@H+](C[C@@H](O)C[NH+]1C[C@](C)(CO)[C@](C)(CO)C1)C1CC1 ZINC000528755317 373984068 /nfs/dbraw/zinc/98/40/68/373984068.db2.gz QEIAQUNSSRLRKI-KFWWJZLASA-N 2 2 286.416 -0.246 20 0 CBADLP C[N@@H+](C[C@@H](O)C[NH+]1C[C@](C)(CO)[C@](C)(CO)C1)C1CC1 ZINC000528755317 373984073 /nfs/dbraw/zinc/98/40/73/373984073.db2.gz QEIAQUNSSRLRKI-KFWWJZLASA-N 2 2 286.416 -0.246 20 0 CBADLP C[NH+](C[C@@H](O)C[N@H+]1C[C@](C)(CO)[C@](C)(CO)C1)C1CC1 ZINC000528755317 373984080 /nfs/dbraw/zinc/98/40/80/373984080.db2.gz QEIAQUNSSRLRKI-KFWWJZLASA-N 2 2 286.416 -0.246 20 0 CBADLP C[NH+](C[C@@H](O)C[N@@H+]1C[C@](C)(CO)[C@](C)(CO)C1)C1CC1 ZINC000528755317 373984086 /nfs/dbraw/zinc/98/40/86/373984086.db2.gz QEIAQUNSSRLRKI-KFWWJZLASA-N 2 2 286.416 -0.246 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)CC1 ZINC000528779036 373984235 /nfs/dbraw/zinc/98/42/35/373984235.db2.gz BBHPFTZPXRDPCT-MTJIALIYSA-N 2 2 299.440 -0.254 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)CC1 ZINC000528779036 373984243 /nfs/dbraw/zinc/98/42/43/373984243.db2.gz BBHPFTZPXRDPCT-MTJIALIYSA-N 2 2 299.440 -0.254 20 0 CBADLP Cn1nnc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)n1 ZINC000530240076 374068370 /nfs/dbraw/zinc/06/83/70/374068370.db2.gz KJALZAGHAGOXBV-GFCCVEGCSA-N 2 2 280.376 -0.199 20 0 CBADLP C[N@@H+]1CC[C@H](C(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)C1 ZINC000531115910 374116454 /nfs/dbraw/zinc/11/64/54/374116454.db2.gz VRQNYFWUTXQHKJ-NSHDSACASA-N 2 2 282.388 -0.654 20 0 CBADLP C[N@H+]1CC[C@H](C(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)C1 ZINC000531115910 374116460 /nfs/dbraw/zinc/11/64/60/374116460.db2.gz VRQNYFWUTXQHKJ-NSHDSACASA-N 2 2 282.388 -0.654 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)[C@H]2C[NH+](C)CCO2)CCO1 ZINC000531296240 374125855 /nfs/dbraw/zinc/12/58/55/374125855.db2.gz QEWFVSJWDCDRRH-NWDGAFQWSA-N 2 2 271.361 -0.846 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)[C@H]2C[NH+](C)CCO2)CCO1 ZINC000531296240 374125860 /nfs/dbraw/zinc/12/58/60/374125860.db2.gz QEWFVSJWDCDRRH-NWDGAFQWSA-N 2 2 271.361 -0.846 20 0 CBADLP C[C@H]1C[NH+](CCNC(=O)[C@H]2C[N@H+](C)CCO2)CCO1 ZINC000531296240 374125864 /nfs/dbraw/zinc/12/58/64/374125864.db2.gz QEWFVSJWDCDRRH-NWDGAFQWSA-N 2 2 271.361 -0.846 20 0 CBADLP C[C@H]1C[NH+](CCNC(=O)[C@H]2C[N@@H+](C)CCO2)CCO1 ZINC000531296240 374125870 /nfs/dbraw/zinc/12/58/70/374125870.db2.gz QEWFVSJWDCDRRH-NWDGAFQWSA-N 2 2 271.361 -0.846 20 0 CBADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCNS(C)(=O)=O)C1 ZINC000530516328 374085472 /nfs/dbraw/zinc/08/54/72/374085472.db2.gz ZXVBFVLTUJKUBK-JTQLQIEISA-N 2 2 272.374 -0.241 20 0 CBADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCNS(C)(=O)=O)C1 ZINC000530516328 374085474 /nfs/dbraw/zinc/08/54/74/374085474.db2.gz ZXVBFVLTUJKUBK-JTQLQIEISA-N 2 2 272.374 -0.241 20 0 CBADLP CC[NH+]1CCN(CC(=O)N2CC(n3cc[nH+]c3)C2)CC1 ZINC000530584871 374089768 /nfs/dbraw/zinc/08/97/68/374089768.db2.gz PZSDKWHIRYVWFK-UHFFFAOYSA-N 2 2 277.372 -0.096 20 0 CBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC000530958101 374107319 /nfs/dbraw/zinc/10/73/19/374107319.db2.gz OEFGOQCDMYJJQF-STQMWFEESA-N 2 2 285.388 -0.910 20 0 CBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000530958101 374107326 /nfs/dbraw/zinc/10/73/26/374107326.db2.gz OEFGOQCDMYJJQF-STQMWFEESA-N 2 2 285.388 -0.910 20 0 CBADLP C[C@@H]1C[NH+](CCC[NH2+]CCC(=O)NC(N)=O)C[C@@H](C)O1 ZINC000548832260 374218210 /nfs/dbraw/zinc/21/82/10/374218210.db2.gz UVQLVGGUVNECKF-GHMZBOCLSA-N 2 2 286.376 -0.340 20 0 CBADLP C[C@@H]1CCNC(=O)[C@H]1[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000554946416 374285680 /nfs/dbraw/zinc/28/56/80/374285680.db2.gz JDWJDBGZQYKUKM-USWWRNFRSA-N 2 2 255.362 -0.444 20 0 CBADLP C[C@@H]1CCNC(=O)[C@H]1[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000554946416 374285685 /nfs/dbraw/zinc/28/56/85/374285685.db2.gz JDWJDBGZQYKUKM-USWWRNFRSA-N 2 2 255.362 -0.444 20 0 CBADLP C[C@H](CC(=O)N1CCN(C)C[C@@H]1C[NH3+])n1cc[nH+]c1 ZINC000577882620 374344594 /nfs/dbraw/zinc/34/45/94/374344594.db2.gz ZCNNSIIKMYRHLY-NEPJUHHUSA-N 2 2 265.361 -0.065 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NC1(C)CC[NH2+]CC1 ZINC000563712717 374324299 /nfs/dbraw/zinc/32/42/99/374324299.db2.gz JLADQHCMPYQIDO-UHFFFAOYSA-N 2 2 284.404 -0.299 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NC1(C)CC[NH2+]CC1 ZINC000563712717 374324307 /nfs/dbraw/zinc/32/43/07/374324307.db2.gz JLADQHCMPYQIDO-UHFFFAOYSA-N 2 2 284.404 -0.299 20 0 CBADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000566739053 374332345 /nfs/dbraw/zinc/33/23/45/374332345.db2.gz KPFPCWPVMVGGOD-QWHCGFSZSA-N 2 2 296.415 -0.345 20 0 CBADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000566739053 374332353 /nfs/dbraw/zinc/33/23/53/374332353.db2.gz KPFPCWPVMVGGOD-QWHCGFSZSA-N 2 2 296.415 -0.345 20 0 CBADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH2+][C@@H]2C)CC1 ZINC000566739051 374333168 /nfs/dbraw/zinc/33/31/68/374333168.db2.gz KPFPCWPVMVGGOD-CHWSQXEVSA-N 2 2 296.415 -0.345 20 0 CBADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CC[NH2+][C@@H]2C)CC1 ZINC000566739051 374333172 /nfs/dbraw/zinc/33/31/72/374333172.db2.gz KPFPCWPVMVGGOD-CHWSQXEVSA-N 2 2 296.415 -0.345 20 0 CBADLP C[N@@H+]1CC[C@@H](NS(=O)(=O)CCC[NH+]2CCOCC2)C1 ZINC000572541516 374336382 /nfs/dbraw/zinc/33/63/82/374336382.db2.gz OKQRICZMUJHLNV-GFCCVEGCSA-N 2 2 291.417 -0.668 20 0 CBADLP C[N@H+]1CC[C@@H](NS(=O)(=O)CCC[NH+]2CCOCC2)C1 ZINC000572541516 374336390 /nfs/dbraw/zinc/33/63/90/374336390.db2.gz OKQRICZMUJHLNV-GFCCVEGCSA-N 2 2 291.417 -0.668 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)C(C)(C)C(N)=O ZINC000583212146 374357727 /nfs/dbraw/zinc/35/77/27/374357727.db2.gz KNDXQELSSUQSKL-JTQLQIEISA-N 2 2 261.366 -0.879 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)C(C)(C)C(N)=O ZINC000583212146 374357732 /nfs/dbraw/zinc/35/77/32/374357732.db2.gz KNDXQELSSUQSKL-JTQLQIEISA-N 2 2 261.366 -0.879 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)C(C)(C)C(N)=O ZINC000583212146 374357736 /nfs/dbraw/zinc/35/77/36/374357736.db2.gz KNDXQELSSUQSKL-JTQLQIEISA-N 2 2 261.366 -0.879 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)C(C)(C)C(N)=O ZINC000583212146 374357741 /nfs/dbraw/zinc/35/77/41/374357741.db2.gz KNDXQELSSUQSKL-JTQLQIEISA-N 2 2 261.366 -0.879 20 0 CBADLP C[C@H](Cn1cncn1)[NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000583494795 374363950 /nfs/dbraw/zinc/36/39/50/374363950.db2.gz GIZKZIWVMBGPJR-RFGFWPKPSA-N 2 2 297.403 -0.274 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)CCOC2C[NH2+]C2)CCO1 ZINC000583814716 374369117 /nfs/dbraw/zinc/36/91/17/374369117.db2.gz JBSMNRBKPYTYBF-NSHDSACASA-N 2 2 271.361 -0.798 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)CCOC2C[NH2+]C2)CCO1 ZINC000583814716 374369125 /nfs/dbraw/zinc/36/91/25/374369125.db2.gz JBSMNRBKPYTYBF-NSHDSACASA-N 2 2 271.361 -0.798 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000584469305 374373268 /nfs/dbraw/zinc/37/32/68/374373268.db2.gz XHPNJOUZROGJPE-VIFPVBQESA-N 2 2 294.346 -0.459 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000584469305 374373273 /nfs/dbraw/zinc/37/32/73/374373273.db2.gz XHPNJOUZROGJPE-VIFPVBQESA-N 2 2 294.346 -0.459 20 0 CBADLP C[NH2+]C[C@H](C)C(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000577950458 374346773 /nfs/dbraw/zinc/34/67/73/374346773.db2.gz JEBMJSBWXVZMQL-LBPRGKRZSA-N 2 2 279.388 -0.080 20 0 CBADLP [NH3+][C@H]1CCCCN(CC(=O)NCc2c[nH+]c[nH]2)C1=O ZINC000643779731 374415618 /nfs/dbraw/zinc/41/56/18/374415618.db2.gz PEAUMEOTFNADFN-JTQLQIEISA-N 2 2 265.317 -0.634 20 0 CBADLP [NH3+][C@H]1CCCCN(CC(=O)NCc2c[nH]c[nH+]2)C1=O ZINC000643779731 374415625 /nfs/dbraw/zinc/41/56/25/374415625.db2.gz PEAUMEOTFNADFN-JTQLQIEISA-N 2 2 265.317 -0.634 20 0 CBADLP CCN1CC[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C2CC2)C1=O ZINC000644642679 374605088 /nfs/dbraw/zinc/60/50/88/374605088.db2.gz NBFMUWFOBOWIBO-NWDGAFQWSA-N 2 2 255.362 -0.348 20 0 CBADLP CCN1CC[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)C1=O ZINC000644642679 374605091 /nfs/dbraw/zinc/60/50/91/374605091.db2.gz NBFMUWFOBOWIBO-NWDGAFQWSA-N 2 2 255.362 -0.348 20 0 CBADLP CN(C)c1[nH+]cc(C[NH2+]C[C@@H](O)[C@@H]2CCOC2)n1C ZINC000644902236 374631996 /nfs/dbraw/zinc/63/19/96/374631996.db2.gz GUDUVJXWJNFPRE-ZYHUDNBSSA-N 2 2 268.361 -0.027 20 0 CBADLP O=C(NCCNc1cccc[nH+]1)[C@H]1C[NH2+]CCO1 ZINC000645332742 374662290 /nfs/dbraw/zinc/66/22/90/374662290.db2.gz YDLDWEFFUARUDR-SNVBAGLBSA-N 2 2 250.302 -0.402 20 0 CBADLP CCC[N@H+](CC)CCNC(=O)CN1CC[NH2+]CC1=O ZINC000646139451 374747955 /nfs/dbraw/zinc/74/79/55/374747955.db2.gz UUYYXJUNGZGUTP-UHFFFAOYSA-N 2 2 270.377 -0.734 20 0 CBADLP CCC[N@@H+](CC)CCNC(=O)CN1CC[NH2+]CC1=O ZINC000646139451 374747956 /nfs/dbraw/zinc/74/79/56/374747956.db2.gz UUYYXJUNGZGUTP-UHFFFAOYSA-N 2 2 270.377 -0.734 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)N[C@@H](CO)C[NH+](C)C ZINC000646208896 374755240 /nfs/dbraw/zinc/75/52/40/374755240.db2.gz NKMDDHKNDOYOSP-SNVBAGLBSA-N 2 2 254.334 -0.609 20 0 CBADLP O=C(Nc1cc[nH+]cc1O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000645952825 374717917 /nfs/dbraw/zinc/71/79/17/374717917.db2.gz ZWJWEXDVRYZMAP-PBINXNQUSA-N 2 2 275.308 -0.038 20 0 CBADLP CC[C@H](C[NH+]1CCCC1)NC(=O)CN1CC[NH2+]CC1=O ZINC000646012083 374727736 /nfs/dbraw/zinc/72/77/36/374727736.db2.gz FVZUZTNUNAJBCD-GFCCVEGCSA-N 2 2 282.388 -0.591 20 0 CBADLP C[C@H](CNC(=O)CC(C)(C)[NH3+])[NH+]1CCN(C)CC1 ZINC000646026961 374732050 /nfs/dbraw/zinc/73/20/50/374732050.db2.gz HYUSWLRJZZFQGZ-LLVKDONJSA-N 2 2 256.394 -0.134 20 0 CBADLP CCOCCNC(=O)C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104658 374740258 /nfs/dbraw/zinc/74/02/58/374740258.db2.gz KCQOFRAUSLCERH-UHFFFAOYSA-N 2 2 299.415 -0.064 20 0 CBADLP CCOCCNC(=O)C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104658 374740260 /nfs/dbraw/zinc/74/02/60/374740260.db2.gz KCQOFRAUSLCERH-UHFFFAOYSA-N 2 2 299.415 -0.064 20 0 CBADLP C[N@@H+]1CCN(C(=O)[C@H]2CC23CCOCC3)[C@H](C[NH3+])C1 ZINC000646831916 374821508 /nfs/dbraw/zinc/82/15/08/374821508.db2.gz IQKJSCSHIAQUEC-VXGBXAGGSA-N 2 2 267.373 -0.096 20 0 CBADLP C[N@H+]1CCN(C(=O)[C@H]2CC23CCOCC3)[C@H](C[NH3+])C1 ZINC000646831916 374821513 /nfs/dbraw/zinc/82/15/13/374821513.db2.gz IQKJSCSHIAQUEC-VXGBXAGGSA-N 2 2 267.373 -0.096 20 0 CBADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)[C@@H]1C[NH2+]CCO1 ZINC000646265405 374764129 /nfs/dbraw/zinc/76/41/29/374764129.db2.gz WMUPPNXSXGZMLC-NEPJUHHUSA-N 2 2 276.340 -0.235 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@H]2[NH2+]CC2(C)C)CC1 ZINC000646408830 374775941 /nfs/dbraw/zinc/77/59/41/374775941.db2.gz LVZHXXZUESLMKC-GFCCVEGCSA-N 2 2 282.388 -0.735 20 0 CBADLP C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000646443092 374779101 /nfs/dbraw/zinc/77/91/01/374779101.db2.gz BZLVYBNPHSAGBZ-IHRRRGAJSA-N 2 2 297.399 -0.361 20 0 CBADLP C[N@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000646443092 374779105 /nfs/dbraw/zinc/77/91/05/374779105.db2.gz BZLVYBNPHSAGBZ-IHRRRGAJSA-N 2 2 297.399 -0.361 20 0 CBADLP C[NH+]1CCC[C@H]1[C@@H]1COCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000646443092 374779109 /nfs/dbraw/zinc/77/91/09/374779109.db2.gz BZLVYBNPHSAGBZ-IHRRRGAJSA-N 2 2 297.399 -0.361 20 0 CBADLP C[NH+]1CCC[C@H]1[C@@H]1COCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000646443092 374779111 /nfs/dbraw/zinc/77/91/11/374779111.db2.gz BZLVYBNPHSAGBZ-IHRRRGAJSA-N 2 2 297.399 -0.361 20 0 CBADLP O=C([C@H]1CCC[NH2+]C1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000062976779 284556349 /nfs/dbraw/zinc/55/63/49/284556349.db2.gz QPJWNMWDZUBEPL-STQMWFEESA-N 2 2 267.373 -0.081 20 0 CBADLP O=C(NCCCNc1cccc[nH+]1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000262485712 190056126 /nfs/dbraw/zinc/05/61/26/190056126.db2.gz YRAIXBBYMZEDAJ-GHMZBOCLSA-N 2 2 264.329 -0.277 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000264325026 190104081 /nfs/dbraw/zinc/10/40/81/190104081.db2.gz QUGCCFUTQFMWEB-NEPJUHHUSA-N 2 2 281.360 -0.099 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000264325026 190104082 /nfs/dbraw/zinc/10/40/82/190104082.db2.gz QUGCCFUTQFMWEB-NEPJUHHUSA-N 2 2 281.360 -0.099 20 0 CBADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)/C=C/C[NH+](C)C)CC1 ZINC000264600715 190121741 /nfs/dbraw/zinc/12/17/41/190121741.db2.gz DHNVTABZYRXWGN-FNORWQNLSA-N 2 2 296.415 -0.225 20 0 CBADLP CCNC(=O)C[N@H+]1CCCN(C(=O)/C=C/C[NH+](C)C)CC1 ZINC000264600715 190121742 /nfs/dbraw/zinc/12/17/42/190121742.db2.gz DHNVTABZYRXWGN-FNORWQNLSA-N 2 2 296.415 -0.225 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCNC(=O)c1ccn[nH]1 ZINC000355765631 248187436 /nfs/dbraw/zinc/18/74/36/248187436.db2.gz KBJTZHBSNULKEL-KOLCDFICSA-N 2 2 251.334 -0.321 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCNC(=O)c1ccn[nH]1 ZINC000355765631 248187443 /nfs/dbraw/zinc/18/74/43/248187443.db2.gz KBJTZHBSNULKEL-KOLCDFICSA-N 2 2 251.334 -0.321 20 0 CBADLP C[C@@H]1[C@@H](C)[N@H+](C)CCN1C[C@H](O)C[NH+]1CCOCC1 ZINC000356978260 248306042 /nfs/dbraw/zinc/30/60/42/248306042.db2.gz CTDUKJFGNACYDI-MGPQQGTHSA-N 2 2 271.405 -0.296 20 0 CBADLP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C[C@H](O)C[NH+]1CCOCC1 ZINC000356978260 248306046 /nfs/dbraw/zinc/30/60/46/248306046.db2.gz CTDUKJFGNACYDI-MGPQQGTHSA-N 2 2 271.405 -0.296 20 0 CBADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(CCOCC[NH3+])CC1 ZINC000357076828 248319619 /nfs/dbraw/zinc/31/96/19/248319619.db2.gz PMXVFUYNACZNLH-AWEZNQCLSA-N 2 2 298.431 -0.410 20 0 CBADLP COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357086967 248319756 /nfs/dbraw/zinc/31/97/56/248319756.db2.gz RXMFUKKMSGNMQN-TUAOUCFPSA-N 2 2 298.387 -0.612 20 0 CBADLP COC[C@H](C)NC(=O)NC(=O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357086967 248319761 /nfs/dbraw/zinc/31/97/61/248319761.db2.gz RXMFUKKMSGNMQN-TUAOUCFPSA-N 2 2 298.387 -0.612 20 0 CBADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)[C@@H](C)C[NH3+])CC1 ZINC000357249293 248339476 /nfs/dbraw/zinc/33/94/76/248339476.db2.gz RQEWEYPJSRSPNE-QWHCGFSZSA-N 2 2 296.415 -0.264 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCSC[C@H]2CCO)CC1 ZINC000357309334 248350097 /nfs/dbraw/zinc/35/00/97/248350097.db2.gz RGTBNCRCFVKAIK-GFCCVEGCSA-N 2 2 287.429 -0.440 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CCSC[C@H]2CCO)CC1 ZINC000357309334 248350102 /nfs/dbraw/zinc/35/01/02/248350102.db2.gz RGTBNCRCFVKAIK-GFCCVEGCSA-N 2 2 287.429 -0.440 20 0 CBADLP C[C@H]1C[N@H+](C)CCN1CC(=O)N1CC[NH+](C)CC1 ZINC000357330576 248350589 /nfs/dbraw/zinc/35/05/89/248350589.db2.gz HKPOSTSOLGEGGO-LBPRGKRZSA-N 2 2 254.378 -0.604 20 0 CBADLP C[C@H]1C[N@@H+](C)CCN1CC(=O)N1CC[NH+](C)CC1 ZINC000357330576 248350593 /nfs/dbraw/zinc/35/05/93/248350593.db2.gz HKPOSTSOLGEGGO-LBPRGKRZSA-N 2 2 254.378 -0.604 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@]3(CNC(=O)C3)C2)CC1 ZINC000357392534 248357684 /nfs/dbraw/zinc/35/76/84/248357684.db2.gz RIMKTBBAMAWAEI-OAHLLOKOSA-N 2 2 294.399 -0.638 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@]3(CNC(=O)C3)C2)CC1 ZINC000357392534 248357689 /nfs/dbraw/zinc/35/76/89/248357689.db2.gz RIMKTBBAMAWAEI-OAHLLOKOSA-N 2 2 294.399 -0.638 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](N3CCCC3=O)C2)CC1 ZINC000357609144 248380318 /nfs/dbraw/zinc/38/03/18/248380318.db2.gz CQYMTDFYESNYGI-CYBMUJFWSA-N 2 2 294.399 -0.543 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](N3CCCC3=O)C2)CC1 ZINC000357609144 248380323 /nfs/dbraw/zinc/38/03/23/248380323.db2.gz CQYMTDFYESNYGI-CYBMUJFWSA-N 2 2 294.399 -0.543 20 0 CBADLP C[N@H+](CC(=O)NCC1CC1)C1CC[NH+](CCO)CC1 ZINC000357648399 248388040 /nfs/dbraw/zinc/38/80/40/248388040.db2.gz LWKSOTIIVNDZGW-UHFFFAOYSA-N 2 2 269.389 -0.099 20 0 CBADLP C[N@@H+](CC(=O)NCC1CC1)C1CC[NH+](CCO)CC1 ZINC000357648399 248388045 /nfs/dbraw/zinc/38/80/45/248388045.db2.gz LWKSOTIIVNDZGW-UHFFFAOYSA-N 2 2 269.389 -0.099 20 0 CBADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[NH+](C)CC1 ZINC000358980107 248559030 /nfs/dbraw/zinc/55/90/30/248559030.db2.gz QQCCHGVDDJORAB-CYBMUJFWSA-N 2 2 283.420 -0.421 20 0 CBADLP COCC[N@@H+]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC000652926103 412875582 /nfs/dbraw/zinc/87/55/82/412875582.db2.gz LCBYQMGUFVJLEL-CYBMUJFWSA-N 2 2 299.415 -0.114 20 0 CBADLP COCC[N@H+]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC000652926103 412875585 /nfs/dbraw/zinc/87/55/85/412875585.db2.gz LCBYQMGUFVJLEL-CYBMUJFWSA-N 2 2 299.415 -0.114 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C(C)(C)C1 ZINC000652926103 412875586 /nfs/dbraw/zinc/87/55/86/412875586.db2.gz LCBYQMGUFVJLEL-CYBMUJFWSA-N 2 2 299.415 -0.114 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C(C)(C)C1 ZINC000652926103 412875589 /nfs/dbraw/zinc/87/55/89/412875589.db2.gz LCBYQMGUFVJLEL-CYBMUJFWSA-N 2 2 299.415 -0.114 20 0 CBADLP CCC[C@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653129001 412885139 /nfs/dbraw/zinc/88/51/39/412885139.db2.gz JFUMYPXVIYVCOQ-RYUDHWBXSA-N 3 2 256.394 -0.134 20 0 CBADLP O=C(CN1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1)NC1CC1 ZINC000346839719 218032326 /nfs/dbraw/zinc/03/23/26/218032326.db2.gz SNRGTTNBEQLICX-ZDUSSCGKSA-N 2 2 280.416 -0.118 20 0 CBADLP O=C(C[NH+]1CCN(C[C@H]2CCC[NH2+]C2)CC1)NC1CC1 ZINC000346839719 218032328 /nfs/dbraw/zinc/03/23/28/218032328.db2.gz SNRGTTNBEQLICX-ZDUSSCGKSA-N 2 2 280.416 -0.118 20 0 CBADLP C[C@@H](CO)[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000347120518 218129937 /nfs/dbraw/zinc/12/99/37/218129937.db2.gz BAJUMAXTEIISLH-QWHCGFSZSA-N 2 2 285.388 -0.768 20 0 CBADLP C[C@@H](CO)[N@H+]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000347120518 218129938 /nfs/dbraw/zinc/12/99/38/218129938.db2.gz BAJUMAXTEIISLH-QWHCGFSZSA-N 2 2 285.388 -0.768 20 0 CBADLP C[C@@H](CO)[NH+]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000347120518 218129940 /nfs/dbraw/zinc/12/99/40/218129940.db2.gz BAJUMAXTEIISLH-QWHCGFSZSA-N 2 2 285.388 -0.768 20 0 CBADLP C[C@@H](CO)[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000347120518 218129942 /nfs/dbraw/zinc/12/99/42/218129942.db2.gz BAJUMAXTEIISLH-QWHCGFSZSA-N 2 2 285.388 -0.768 20 0 CBADLP Cc1ccn2cc(CNC(=O)CNC(=O)C[NH3+])[nH+]c2c1 ZINC000347470803 218248114 /nfs/dbraw/zinc/24/81/14/218248114.db2.gz GOEOJORTIBDPOL-UHFFFAOYSA-N 2 2 275.312 -0.666 20 0 CBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1nc(=O)n(C)[nH]1 ZINC000347478437 218248923 /nfs/dbraw/zinc/24/89/23/218248923.db2.gz AMUZJKMEZWJWAQ-UHFFFAOYSA-N 2 2 296.419 -0.434 20 0 CBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1nc(=O)n(C)[nH]1 ZINC000347478437 218248925 /nfs/dbraw/zinc/24/89/25/218248925.db2.gz AMUZJKMEZWJWAQ-UHFFFAOYSA-N 2 2 296.419 -0.434 20 0 CBADLP C[N@@H+]1CCN(C[C@@H](O)C[NH+]2CCOCC2)C(C)(C)C1 ZINC000347592517 218283416 /nfs/dbraw/zinc/28/34/16/218283416.db2.gz NREICOXQDNBLHK-ZDUSSCGKSA-N 2 2 271.405 -0.295 20 0 CBADLP C[N@H+]1CCN(C[C@@H](O)C[NH+]2CCOCC2)C(C)(C)C1 ZINC000347592517 218283417 /nfs/dbraw/zinc/28/34/17/218283417.db2.gz NREICOXQDNBLHK-ZDUSSCGKSA-N 2 2 271.405 -0.295 20 0 CBADLP Cn1cnnc1C[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000347622976 218295443 /nfs/dbraw/zinc/29/54/43/218295443.db2.gz JXISPOXHEREGEC-UHFFFAOYSA-N 2 2 280.376 -0.589 20 0 CBADLP Cn1cnnc1C[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000347622976 218295445 /nfs/dbraw/zinc/29/54/45/218295445.db2.gz JXISPOXHEREGEC-UHFFFAOYSA-N 2 2 280.376 -0.589 20 0 CBADLP CNC(=O)NC(=O)[C@H](C)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000266908172 190289235 /nfs/dbraw/zinc/28/92/35/190289235.db2.gz IHWKEZBGRNRTBI-JTQLQIEISA-N 2 2 294.359 -0.614 20 0 CBADLP CNC(=O)NC(=O)[C@@H](C)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000266908174 190289624 /nfs/dbraw/zinc/28/96/24/190289624.db2.gz IHWKEZBGRNRTBI-SNVBAGLBSA-N 2 2 294.359 -0.614 20 0 CBADLP CCNC(=O)NC(=O)C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000266933260 190291536 /nfs/dbraw/zinc/29/15/36/190291536.db2.gz PIALAKWAZKWEST-UHFFFAOYSA-N 2 2 294.359 -0.612 20 0 CBADLP Cn1cc[nH+]c1N1CC[NH+](CCOCCO)CC1 ZINC000266953159 190293129 /nfs/dbraw/zinc/29/31/29/190293129.db2.gz UXAILDRXSPKPEZ-UHFFFAOYSA-N 2 2 254.334 -0.449 20 0 CBADLP C[C@@H]1C[N@H+](CCc2c[nH+]cn2C)C[C@@H](C(N)=O)O1 ZINC000347749929 218343546 /nfs/dbraw/zinc/34/35/46/218343546.db2.gz NXGUDHDXDOMTGJ-KOLCDFICSA-N 2 2 252.318 -0.463 20 0 CBADLP C[C@@H]1C[N@@H+](CCc2c[nH+]cn2C)C[C@@H](C(N)=O)O1 ZINC000347749929 218343547 /nfs/dbraw/zinc/34/35/47/218343547.db2.gz NXGUDHDXDOMTGJ-KOLCDFICSA-N 2 2 252.318 -0.463 20 0 CBADLP COC(=O)[C@@H]1C[N@H+](CCc2c[nH+]cn2C)CCO1 ZINC000347760979 218347564 /nfs/dbraw/zinc/34/75/64/218347564.db2.gz VOTFBCWMCMGWSA-NSHDSACASA-N 2 2 253.302 -0.164 20 0 CBADLP COC(=O)[C@@H]1C[N@@H+](CCc2c[nH+]cn2C)CCO1 ZINC000347760979 218347566 /nfs/dbraw/zinc/34/75/66/218347566.db2.gz VOTFBCWMCMGWSA-NSHDSACASA-N 2 2 253.302 -0.164 20 0 CBADLP COC(=O)CNC(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000267503064 190334683 /nfs/dbraw/zinc/33/46/83/190334683.db2.gz VILUCIWJJPXZHZ-UHFFFAOYSA-N 2 2 280.328 -0.122 20 0 CBADLP COC(=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000049801022 207354506 /nfs/dbraw/zinc/35/45/06/207354506.db2.gz PXIQBUKENKVPTC-UHFFFAOYSA-N 2 2 283.372 -0.355 20 0 CBADLP COC(=O)[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000095020725 207365112 /nfs/dbraw/zinc/36/51/12/207365112.db2.gz JOWNJOGTTFTVPK-LLVKDONJSA-N 2 2 269.345 -0.745 20 0 CBADLP COC(=O)[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000095020725 207365120 /nfs/dbraw/zinc/36/51/20/207365120.db2.gz JOWNJOGTTFTVPK-LLVKDONJSA-N 2 2 269.345 -0.745 20 0 CBADLP COC(=O)[C@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000095020724 207365556 /nfs/dbraw/zinc/36/55/56/207365556.db2.gz JOWNJOGTTFTVPK-NSHDSACASA-N 2 2 269.345 -0.745 20 0 CBADLP COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000095020724 207365562 /nfs/dbraw/zinc/36/55/62/207365562.db2.gz JOWNJOGTTFTVPK-NSHDSACASA-N 2 2 269.345 -0.745 20 0 CBADLP CNC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000093173344 207366153 /nfs/dbraw/zinc/36/61/53/207366153.db2.gz IYFGCDMMEUEZIL-GFCCVEGCSA-N 2 2 282.388 -0.782 20 0 CBADLP CNC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000093173344 207366158 /nfs/dbraw/zinc/36/61/58/207366158.db2.gz IYFGCDMMEUEZIL-GFCCVEGCSA-N 2 2 282.388 -0.782 20 0 CBADLP CNC(=O)NC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123486522 207368651 /nfs/dbraw/zinc/36/86/51/207368651.db2.gz JYAKDTRWGLCKGG-VHSXEESVSA-N 2 2 256.350 -0.144 20 0 CBADLP CNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123486522 207368654 /nfs/dbraw/zinc/36/86/54/207368654.db2.gz JYAKDTRWGLCKGG-VHSXEESVSA-N 2 2 256.350 -0.144 20 0 CBADLP CNC(=O)NC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000123486522 207368661 /nfs/dbraw/zinc/36/86/61/207368661.db2.gz JYAKDTRWGLCKGG-VHSXEESVSA-N 2 2 256.350 -0.144 20 0 CBADLP CNC(=O)NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000123486522 207368667 /nfs/dbraw/zinc/36/86/67/207368667.db2.gz JYAKDTRWGLCKGG-VHSXEESVSA-N 2 2 256.350 -0.144 20 0 CBADLP [NH3+][C@H](CNC(=O)CN1CC[NH2+]CC1=O)c1ccccc1 ZINC000152204145 207379528 /nfs/dbraw/zinc/37/95/28/207379528.db2.gz HGSOHSUEWVLBOF-GFCCVEGCSA-N 2 2 276.340 -0.766 20 0 CBADLP O=C(C[NH2+]C[C@H]1CCCO1)NCC[NH+]1CCOCC1 ZINC000163419267 207395610 /nfs/dbraw/zinc/39/56/10/207395610.db2.gz CBZFOAGQTZFXRT-GFCCVEGCSA-N 2 2 271.361 -0.797 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@H]2COCC[NH2+]2)C[C@H]1[NH+]1CCOCC1 ZINC000178860228 207424350 /nfs/dbraw/zinc/42/43/50/207424350.db2.gz XOKGTRZNVQJWJA-FRRDWIJNSA-N 2 2 283.372 -0.846 20 0 CBADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)NCCC[NH3+])CC1 ZINC000418310176 207578669 /nfs/dbraw/zinc/57/86/69/207578669.db2.gz JDTSDMACWQPHNV-UHFFFAOYSA-N 2 2 299.419 -0.469 20 0 CBADLP C[C@@H]([NH3+])[C@H](C)C(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000493968594 532989438 /nfs/dbraw/zinc/98/94/38/532989438.db2.gz LDYFHAUBCMIZPC-GRYCIOLGSA-N 2 2 256.394 -0.278 20 0 CBADLP CN(C)c1[nH+]cc(C[NH+]2CC(CC(N)=O)C2)n1C ZINC000425367938 208020587 /nfs/dbraw/zinc/02/05/87/208020587.db2.gz JDCASVFNDQPSNG-UHFFFAOYSA-N 2 2 251.334 -0.207 20 0 CBADLP CCC[N@H+](C)CC(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000428495963 208089213 /nfs/dbraw/zinc/08/92/13/208089213.db2.gz DPNAFKVHHSYNHI-LBPRGKRZSA-N 2 2 257.378 -0.147 20 0 CBADLP CCC[N@@H+](C)CC(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000428495963 208089216 /nfs/dbraw/zinc/08/92/16/208089216.db2.gz DPNAFKVHHSYNHI-LBPRGKRZSA-N 2 2 257.378 -0.147 20 0 CBADLP C[C@H](O)C[NH+]1CCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC000428512601 208090501 /nfs/dbraw/zinc/09/05/01/208090501.db2.gz HRNBXJAZYYHCRA-NSHDSACASA-N 2 2 296.371 -0.125 20 0 CBADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000428505802 208090936 /nfs/dbraw/zinc/09/09/36/208090936.db2.gz DFYHOECWZXZIKN-KBPBESRZSA-N 2 2 299.415 -0.520 20 0 CBADLP CN1CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C(C)(C)C1=O ZINC000429684720 208129450 /nfs/dbraw/zinc/12/94/50/208129450.db2.gz KSDMABMLQYTHHL-UHFFFAOYSA-N 2 2 296.415 -0.297 20 0 CBADLP CN1CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C(C)(C)C1=O ZINC000429684720 208129455 /nfs/dbraw/zinc/12/94/55/208129455.db2.gz KSDMABMLQYTHHL-UHFFFAOYSA-N 2 2 296.415 -0.297 20 0 CBADLP C[NH+]1CCN(C(=O)CCN2CC[NH+](C3CC3)CC2)CC1 ZINC000429694343 208130068 /nfs/dbraw/zinc/13/00/68/208130068.db2.gz MDPRCIQEQOYMLF-UHFFFAOYSA-N 2 2 280.416 -0.070 20 0 CBADLP CCC[N@H+](CC(N)=O)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000429142631 208113036 /nfs/dbraw/zinc/11/30/36/208113036.db2.gz MRFXBYZJASPZMX-UHFFFAOYSA-N 2 2 296.415 -0.073 20 0 CBADLP CCC[N@@H+](CC(N)=O)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000429142631 208113041 /nfs/dbraw/zinc/11/30/41/208113041.db2.gz MRFXBYZJASPZMX-UHFFFAOYSA-N 2 2 296.415 -0.073 20 0 CBADLP CC(C)[NH+]1CC(NC(=O)[C@@H](C)N2CC[NH+](C)CC2)C1 ZINC000430436426 208160704 /nfs/dbraw/zinc/16/07/04/208160704.db2.gz SEJXSNYNFJNZID-GFCCVEGCSA-N 2 2 268.405 -0.169 20 0 CBADLP O=C(C[NH2+]C[C@@H]1CCCO1)NCCc1[nH]cc[nH+]1 ZINC000430727276 208174883 /nfs/dbraw/zinc/17/48/83/208174883.db2.gz GYTLTWMYMOWGCO-JTQLQIEISA-N 2 2 252.318 -0.163 20 0 CBADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)NCC(=O)N2CCCC2)C1 ZINC000430571146 208165285 /nfs/dbraw/zinc/16/52/85/208165285.db2.gz LJJXAOIYXJBRQG-CHWSQXEVSA-N 2 2 296.415 -0.216 20 0 CBADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)NCC(=O)N2CCCC2)C1 ZINC000430571146 208165288 /nfs/dbraw/zinc/16/52/88/208165288.db2.gz LJJXAOIYXJBRQG-CHWSQXEVSA-N 2 2 296.415 -0.216 20 0 CBADLP COC[C@H](C)NC(=O)NC(=O)C[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000430559145 208165577 /nfs/dbraw/zinc/16/55/77/208165577.db2.gz SGDRWPJXXKDRLJ-GWCFXTLKSA-N 2 2 288.392 -0.190 20 0 CBADLP Cn1c(C[NH2+][C@](C)(C[NH3+])C2CC2)cc(=O)n(C)c1=O ZINC000430566640 208165792 /nfs/dbraw/zinc/16/57/92/208165792.db2.gz HKVBOZUFPFBTOG-CYBMUJFWSA-N 2 2 266.345 -0.699 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000430559842 208166080 /nfs/dbraw/zinc/16/60/80/208166080.db2.gz FFQIDUXDYCHAFW-CQSZACIVSA-N 2 2 284.404 -0.312 20 0 CBADLP COC[C@@H](C)NC(=O)NC(=O)C[N@H+](C)C1CC[NH2+]CC1 ZINC000430600335 208166451 /nfs/dbraw/zinc/16/64/51/208166451.db2.gz HNCDEUROMUZWEO-SNVBAGLBSA-N 2 2 286.376 -0.469 20 0 CBADLP COC[C@@H](C)NC(=O)NC(=O)C[N@@H+](C)C1CC[NH2+]CC1 ZINC000430600335 208166457 /nfs/dbraw/zinc/16/64/57/208166457.db2.gz HNCDEUROMUZWEO-SNVBAGLBSA-N 2 2 286.376 -0.469 20 0 CBADLP CC(=O)N[C@H]1CCCN(C(=O)C[NH2+][C@@](C)(C[NH3+])C2CC2)C1 ZINC000430588806 208166477 /nfs/dbraw/zinc/16/64/77/208166477.db2.gz GAXVIUVISSJFQG-ZFWWWQNUSA-N 2 2 296.415 -0.170 20 0 CBADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)NC(=O)NC1CC1 ZINC000430581207 208166522 /nfs/dbraw/zinc/16/65/22/208166522.db2.gz TWCSQKRQOGHNNY-LBPRGKRZSA-N 2 2 256.350 -0.062 20 0 CBADLP C[C@H](C[N@H+](C)CC(=O)N1CC[NH2+]CC1)CS(C)(=O)=O ZINC000430643949 208168310 /nfs/dbraw/zinc/16/83/10/208168310.db2.gz SMPUDSLKQFKUAO-LLVKDONJSA-N 2 2 291.417 -0.969 20 0 CBADLP C[C@H](C[N@@H+](C)CC(=O)N1CC[NH2+]CC1)CS(C)(=O)=O ZINC000430643949 208168317 /nfs/dbraw/zinc/16/83/17/208168317.db2.gz SMPUDSLKQFKUAO-LLVKDONJSA-N 2 2 291.417 -0.969 20 0 CBADLP COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000430621252 208169242 /nfs/dbraw/zinc/16/92/42/208169242.db2.gz COESUDHIXJOVRY-WDEREUQCSA-N 2 2 286.376 -0.482 20 0 CBADLP COC[C@H](C)NC(=O)NC(=O)C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000430621252 208169247 /nfs/dbraw/zinc/16/92/47/208169247.db2.gz COESUDHIXJOVRY-WDEREUQCSA-N 2 2 286.376 -0.482 20 0 CBADLP C[C@H](NC(=O)C[C@H]1C[NH2+]CCO1)[C@H](C)[NH+]1CCOCC1 ZINC000430718103 208175157 /nfs/dbraw/zinc/17/51/57/208175157.db2.gz BJVMHAPDGGQOLX-AVGNSLFASA-N 2 2 285.388 -0.410 20 0 CBADLP C[N@H+](CC(=O)N1CC[NH2+]CC1)[C@H]1CCN(C2CC2)C1=O ZINC000430619828 208169627 /nfs/dbraw/zinc/16/96/27/208169627.db2.gz AAWMPSCUUJTKMX-LBPRGKRZSA-N 2 2 280.372 -0.887 20 0 CBADLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)[C@H]1CCN(C2CC2)C1=O ZINC000430619828 208169632 /nfs/dbraw/zinc/16/96/32/208169632.db2.gz AAWMPSCUUJTKMX-LBPRGKRZSA-N 2 2 280.372 -0.887 20 0 CBADLP O=C(COC1C[NH2+]C1)NCCCNc1cccc[nH+]1 ZINC000430703381 208172397 /nfs/dbraw/zinc/17/23/97/208172397.db2.gz KBIODNXIUQIYEU-UHFFFAOYSA-N 2 2 264.329 -0.012 20 0 CBADLP CN(C)c1[nH+]cc(CNC(=O)[C@@H]2COCC[NH2+]2)n1C ZINC000430710715 208174138 /nfs/dbraw/zinc/17/41/38/208174138.db2.gz BKBPNLOLZWLWNB-JTQLQIEISA-N 2 2 267.333 -0.909 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)C[C@H](C)[NH3+])CC1 ZINC000430744149 208177345 /nfs/dbraw/zinc/17/73/45/208177345.db2.gz MTNNATLFCIXQNE-JTQLQIEISA-N 2 2 256.350 -0.996 20 0 CBADLP C[NH2+]CC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000430740291 208177430 /nfs/dbraw/zinc/17/74/30/208177430.db2.gz JQWLSZUDGANCNC-UHFFFAOYSA-N 2 2 282.388 -0.734 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)C2([NH3+])CCCC2)CC1 ZINC000430742971 208177654 /nfs/dbraw/zinc/17/76/54/208177654.db2.gz YSRRUQUXAQPYRR-UHFFFAOYSA-N 2 2 282.388 -0.462 20 0 CBADLP CCC[C@](C)([NH3+])C(=O)NCC[NH+]1CCN(C(C)=O)CC1 ZINC000430744122 208178447 /nfs/dbraw/zinc/17/84/47/208178447.db2.gz MKCAEICRDHAABE-AWEZNQCLSA-N 2 2 284.404 -0.216 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)C[C@@H]2CCC[NH2+]2)CC1 ZINC000430737755 208178468 /nfs/dbraw/zinc/17/84/68/208178468.db2.gz CFCPVLSUGZIEKK-ZDUSSCGKSA-N 2 2 282.388 -0.591 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000430736976 208178757 /nfs/dbraw/zinc/17/87/57/208178757.db2.gz HAYPVGXJLTZFTQ-KBPBESRZSA-N 2 2 296.415 -0.216 20 0 CBADLP CC1(C)CCC[NH2+][C@@H]1CNC(=O)CN1CC[NH2+]CC1=O ZINC000430731642 208179368 /nfs/dbraw/zinc/17/93/68/208179368.db2.gz MOGSQWBNYODRKH-LLVKDONJSA-N 2 2 282.388 -0.687 20 0 CBADLP [NH3+]CC(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000430747041 208180085 /nfs/dbraw/zinc/18/00/85/208180085.db2.gz KJRGNVNKTBFFKZ-UHFFFAOYSA-N 2 2 268.361 -0.898 20 0 CBADLP [NH3+]CC(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000430747041 208180091 /nfs/dbraw/zinc/18/00/91/208180091.db2.gz KJRGNVNKTBFFKZ-UHFFFAOYSA-N 2 2 268.361 -0.898 20 0 CBADLP C[C@@H](NC(=O)CN1CC[NH2+]CC1=O)C(C)(C)C[NH+](C)C ZINC000430777850 208180376 /nfs/dbraw/zinc/18/03/76/208180376.db2.gz YRANDTKMCOFEOS-LLVKDONJSA-N 2 2 284.404 -0.489 20 0 CBADLP C[C@@H]1C[C@H](N(C)C(=O)CN2CC[NH2+]CC2=O)CC[N@@H+]1C ZINC000430793514 208181302 /nfs/dbraw/zinc/18/13/02/208181302.db2.gz LVQZKEWFFVHSES-VXGBXAGGSA-N 2 2 282.388 -0.641 20 0 CBADLP C[C@@H]1C[C@H](N(C)C(=O)CN2CC[NH2+]CC2=O)CC[N@H+]1C ZINC000430793514 208181308 /nfs/dbraw/zinc/18/13/08/208181308.db2.gz LVQZKEWFFVHSES-VXGBXAGGSA-N 2 2 282.388 -0.641 20 0 CBADLP O=C(COC1C[NH2+]C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000430859692 208184629 /nfs/dbraw/zinc/18/46/29/208184629.db2.gz XZCRMMKMHJRUFJ-UHFFFAOYSA-N 2 2 276.340 -0.281 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)NCc1ccn2cc[nH+]c2c1 ZINC000430807599 208185546 /nfs/dbraw/zinc/18/55/46/208185546.db2.gz QZZLVBIZDYHDAD-UHFFFAOYSA-N 2 2 287.323 -0.618 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@]1(C)CC[NH2+]C1 ZINC000430880219 208186151 /nfs/dbraw/zinc/18/61/51/208186151.db2.gz SHHYQPACUPHUKF-DGCLKSJQSA-N 2 2 255.362 -0.177 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@]1(C)CC[NH2+]C1 ZINC000430880219 208186157 /nfs/dbraw/zinc/18/61/57/208186157.db2.gz SHHYQPACUPHUKF-DGCLKSJQSA-N 2 2 255.362 -0.177 20 0 CBADLP C[NH2+]CC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000430874427 208187383 /nfs/dbraw/zinc/18/73/83/208187383.db2.gz CWMKEHJNZGKJEV-UHFFFAOYSA-N 2 2 267.333 -0.627 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CCCC[NH2+]1 ZINC000430880226 208187463 /nfs/dbraw/zinc/18/74/63/208187463.db2.gz SIUMBIWCIICHKR-NWDGAFQWSA-N 2 2 255.362 -0.035 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@H]1CCCC[NH2+]1 ZINC000430880226 208187466 /nfs/dbraw/zinc/18/74/66/208187466.db2.gz SIUMBIWCIICHKR-NWDGAFQWSA-N 2 2 255.362 -0.035 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000430881145 208188476 /nfs/dbraw/zinc/18/84/76/208188476.db2.gz YOUYDVRFOJBDHT-CHWSQXEVSA-N 2 2 285.388 -0.408 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000430881145 208188483 /nfs/dbraw/zinc/18/84/83/208188483.db2.gz YOUYDVRFOJBDHT-CHWSQXEVSA-N 2 2 285.388 -0.408 20 0 CBADLP Cn1cc(N2CC[C@@H]([N@@H+]3CC[C@H](C[NH3+])C3)C2=O)cn1 ZINC000430917232 208190878 /nfs/dbraw/zinc/19/08/78/208190878.db2.gz JIKXLERIAMNBTJ-ZYHUDNBSSA-N 2 2 263.345 -0.194 20 0 CBADLP Cn1cc(N2CC[C@@H]([N@H+]3CC[C@H](C[NH3+])C3)C2=O)cn1 ZINC000430917232 208190883 /nfs/dbraw/zinc/19/08/83/208190883.db2.gz JIKXLERIAMNBTJ-ZYHUDNBSSA-N 2 2 263.345 -0.194 20 0 CBADLP COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000430939484 208192069 /nfs/dbraw/zinc/19/20/69/208192069.db2.gz LHIHUBLMXLIFGK-DCAQKATOSA-N 2 2 286.376 -0.484 20 0 CBADLP COC[C@H](C)NC(=O)NC(=O)C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000430939484 208192074 /nfs/dbraw/zinc/19/20/74/208192074.db2.gz LHIHUBLMXLIFGK-DCAQKATOSA-N 2 2 286.376 -0.484 20 0 CBADLP C[NH2+]C1CC[NH+]([C@@H](C)C(=O)N2CCC[C@H](C(N)=O)C2)CC1 ZINC000430950518 208194095 /nfs/dbraw/zinc/19/40/95/208194095.db2.gz RPJWQXZSEFQWQA-RYUDHWBXSA-N 2 2 296.415 -0.217 20 0 CBADLP O=C([C@H]1C[NH2+]CCO1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000431006483 208194774 /nfs/dbraw/zinc/19/47/74/208194774.db2.gz RPQHRXHESRYMAJ-LLVKDONJSA-N 2 2 279.344 -0.958 20 0 CBADLP C[C@H](CNC(=O)c1csc(C[NH3+])n1)N1CC[NH+](C)CC1 ZINC000431004759 208196836 /nfs/dbraw/zinc/19/68/36/208196836.db2.gz SPJKKUJREIIOHQ-SNVBAGLBSA-N 2 2 297.428 -0.033 20 0 CBADLP C[C@@H]1CN(C(=O)COC2C[NH2+]C2)C[C@H]1[NH+]1CCOCC1 ZINC000431011162 208197944 /nfs/dbraw/zinc/19/79/44/208197944.db2.gz BEZDBPZMDWJCPV-DGCLKSJQSA-N 2 2 283.372 -0.846 20 0 CBADLP CC1(C)C[N@H+](CCNC(=O)COC2C[NH2+]C2)CCO1 ZINC000431056343 208201752 /nfs/dbraw/zinc/20/17/52/208201752.db2.gz CDALNCYOMXBAHQ-UHFFFAOYSA-N 2 2 271.361 -0.798 20 0 CBADLP CC1(C)C[N@@H+](CCNC(=O)COC2C[NH2+]C2)CCO1 ZINC000431056343 208201754 /nfs/dbraw/zinc/20/17/54/208201754.db2.gz CDALNCYOMXBAHQ-UHFFFAOYSA-N 2 2 271.361 -0.798 20 0 CBADLP O=C(COC1C[NH2+]C1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000431036397 208202097 /nfs/dbraw/zinc/20/20/97/208202097.db2.gz WBAZSDQNKKILTK-GFCCVEGCSA-N 2 2 283.372 -0.702 20 0 CBADLP CCOCCNC(=O)C[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000440354989 208339790 /nfs/dbraw/zinc/33/97/90/208339790.db2.gz DZJYOILLISEBTC-UHFFFAOYSA-N 2 2 287.404 -0.472 20 0 CBADLP CCOCCNC(=O)C[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000440354989 208339797 /nfs/dbraw/zinc/33/97/97/208339797.db2.gz DZJYOILLISEBTC-UHFFFAOYSA-N 2 2 287.404 -0.472 20 0 CBADLP C[C@H]([NH3+])C[NH+]1CCC(C(=O)N2CCOCC2)CC1 ZINC000442664894 208359678 /nfs/dbraw/zinc/35/96/78/208359678.db2.gz XSGYETBHLITQFB-NSHDSACASA-N 2 2 255.362 -0.096 20 0 CBADLP C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(C[C@H](C)[NH3+])CC1 ZINC000442664490 208359729 /nfs/dbraw/zinc/35/97/29/208359729.db2.gz WLVOQEFTHQIFGE-QWHCGFSZSA-N 2 2 284.404 -0.802 20 0 CBADLP C[C@@H]([NH3+])C[NH+]1CCC(C(=O)N2CCOCC2)CC1 ZINC000442664893 208359799 /nfs/dbraw/zinc/35/97/99/208359799.db2.gz XSGYETBHLITQFB-LLVKDONJSA-N 2 2 255.362 -0.096 20 0 CBADLP CC[NH+]1CCN(CC(=O)NCc2[nH]c[nH+]c2C)CC1 ZINC000443219835 208382962 /nfs/dbraw/zinc/38/29/62/208382962.db2.gz IGPIGDCOPWWHAX-UHFFFAOYSA-N 2 2 265.361 -0.028 20 0 CBADLP COC[C@H]([NH3+])C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000353803359 220339440 /nfs/dbraw/zinc/33/94/40/220339440.db2.gz KKLUSEWNVFKIFC-RYUDHWBXSA-N 2 2 273.377 -0.567 20 0 CBADLP CC(C)C[C@H](C[NH3+])NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000574862098 335052985 /nfs/dbraw/zinc/05/29/85/335052985.db2.gz CPPMGIVNBIHIDX-NEPJUHHUSA-N 3 2 271.409 -0.356 20 0 CBADLP CC(C)C[C@H](C[NH3+])NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000574862098 335052983 /nfs/dbraw/zinc/05/29/83/335052983.db2.gz CPPMGIVNBIHIDX-NEPJUHHUSA-N 3 2 271.409 -0.356 20 0 CBADLP COC[C@@H]([NH3+])C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000262270125 285225012 /nfs/dbraw/zinc/22/50/12/285225012.db2.gz KGXRCKYUVSIEFP-QWHCGFSZSA-N 2 2 285.388 -0.327 20 0 CBADLP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)CN1CC[NH2+]CC1=O ZINC000168421366 285270779 /nfs/dbraw/zinc/27/07/79/285270779.db2.gz OXTRPWHFIDCSPY-LBPRGKRZSA-N 2 2 282.388 -0.639 20 0 CBADLP CC[N@H+]1CCC[C@H]1CN(C)C(=O)CN1CC[NH2+]CC1=O ZINC000168421366 285270781 /nfs/dbraw/zinc/27/07/81/285270781.db2.gz OXTRPWHFIDCSPY-LBPRGKRZSA-N 2 2 282.388 -0.639 20 0 CBADLP CC1(C)C[NH+](CC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)C1 ZINC000655164055 413029906 /nfs/dbraw/zinc/02/99/06/413029906.db2.gz GVWZUZYXFDKZNW-GFCCVEGCSA-N 2 2 267.373 -0.394 20 0 CBADLP CC1(C)C[NH+](CC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)C1 ZINC000655164055 413029910 /nfs/dbraw/zinc/02/99/10/413029910.db2.gz GVWZUZYXFDKZNW-GFCCVEGCSA-N 2 2 267.373 -0.394 20 0 CBADLP COC(=O)C[C@H]([NH3+])C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000575043255 335058281 /nfs/dbraw/zinc/05/82/81/335058281.db2.gz QRMURRMNZRNCAD-MXWKQRLJSA-N 2 2 287.360 -0.898 20 0 CBADLP O[C@@H]1COC[C@H]1[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000340293176 285332246 /nfs/dbraw/zinc/33/22/46/285332246.db2.gz XQCARWWCGDIOGV-JHJVBQTASA-N 2 2 256.346 -0.600 20 0 CBADLP O[C@@H]1COC[C@H]1[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000340293176 285332250 /nfs/dbraw/zinc/33/22/50/285332250.db2.gz XQCARWWCGDIOGV-JHJVBQTASA-N 2 2 256.346 -0.600 20 0 CBADLP COC(=O)CCNC(=O)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366442668 533433643 /nfs/dbraw/zinc/43/36/43/533433643.db2.gz JUUJMYDXKRBTPR-AWEZNQCLSA-N 2 2 283.372 -0.307 20 0 CBADLP COC(=O)CCNC(=O)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366442668 533433649 /nfs/dbraw/zinc/43/36/49/533433649.db2.gz JUUJMYDXKRBTPR-AWEZNQCLSA-N 2 2 283.372 -0.307 20 0 CBADLP COC(=O)CCNC(=O)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000366442668 533433655 /nfs/dbraw/zinc/43/36/55/533433655.db2.gz JUUJMYDXKRBTPR-AWEZNQCLSA-N 2 2 283.372 -0.307 20 0 CBADLP COC(=O)CCNC(=O)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000366442668 533433657 /nfs/dbraw/zinc/43/36/57/533433657.db2.gz JUUJMYDXKRBTPR-AWEZNQCLSA-N 2 2 283.372 -0.307 20 0 CBADLP COC[C@]1(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)CC[NH2+]C1 ZINC000423374135 285478398 /nfs/dbraw/zinc/47/83/98/285478398.db2.gz HUXFXBJLVNPNLS-NFAWXSAZSA-N 2 2 299.415 -0.162 20 0 CBADLP C[C@@H]1[C@H](C)N(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1C ZINC000356901590 289011020 /nfs/dbraw/zinc/01/10/20/289011020.db2.gz MWRFSOKXLPLJRO-WOPDTQHZSA-N 2 2 255.362 -0.132 20 0 CBADLP O=C([C@@H]1COCC[NH2+]1)N1CCN(c2cccc[nH+]2)CC1 ZINC000088357707 135053982 /nfs/dbraw/zinc/05/39/82/135053982.db2.gz BSMJIRWPTMICGP-LBPRGKRZSA-N 2 2 276.340 -0.281 20 0 CBADLP COC1(C(=O)NC[C@H](C)[NH+]2CCOCC2)CC[NH2+]CC1 ZINC000164914785 292094308 /nfs/dbraw/zinc/09/43/08/292094308.db2.gz NWBURZHQVUAIFH-LBPRGKRZSA-N 2 2 285.388 -0.408 20 0 CBADLP C[C@H](C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1)[NH+]1CCN(C)CC1 ZINC000575125055 335069781 /nfs/dbraw/zinc/06/97/81/335069781.db2.gz UHRCSRLPFONVQI-RDBSUJKOSA-N 2 2 280.416 -0.310 20 0 CBADLP CCOCC[NH+]1CCN(C(=O)C2(OC)CC[NH2+]CC2)CC1 ZINC000164472671 286084003 /nfs/dbraw/zinc/08/40/03/286084003.db2.gz SLZLUBPNPCDCAZ-UHFFFAOYSA-N 2 2 299.415 -0.064 20 0 CBADLP CCOCCNC(=O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357070198 286094853 /nfs/dbraw/zinc/09/48/53/286094853.db2.gz AFPIHRVQIBYPKA-VXGBXAGGSA-N 2 2 255.362 -0.320 20 0 CBADLP CCOCCNC(=O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357070198 286094855 /nfs/dbraw/zinc/09/48/55/286094855.db2.gz AFPIHRVQIBYPKA-VXGBXAGGSA-N 2 2 255.362 -0.320 20 0 CBADLP C[C@H](C(=O)NC(C)(C)C)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000515312889 289337471 /nfs/dbraw/zinc/33/74/71/289337471.db2.gz TULWTUQIFDXYAO-MXWKQRLJSA-N 2 2 282.388 -0.467 20 0 CBADLP C[C@H](C(=O)NC(C)(C)C)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000515312889 289337472 /nfs/dbraw/zinc/33/74/72/289337472.db2.gz TULWTUQIFDXYAO-MXWKQRLJSA-N 2 2 282.388 -0.467 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000428990093 298134442 /nfs/dbraw/zinc/13/44/42/298134442.db2.gz HCUMWKFQHOTGKX-SKDRFNHKSA-N 2 2 254.334 -0.403 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000428990093 298134446 /nfs/dbraw/zinc/13/44/46/298134446.db2.gz HCUMWKFQHOTGKX-SKDRFNHKSA-N 2 2 254.334 -0.403 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000331519041 298134565 /nfs/dbraw/zinc/13/45/65/298134565.db2.gz CJYUXEWUVZPTCL-ZWNOBZJWSA-N 2 2 268.361 -0.013 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000331519041 298134569 /nfs/dbraw/zinc/13/45/69/298134569.db2.gz CJYUXEWUVZPTCL-ZWNOBZJWSA-N 2 2 268.361 -0.013 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000331519041 298134572 /nfs/dbraw/zinc/13/45/72/298134572.db2.gz CJYUXEWUVZPTCL-ZWNOBZJWSA-N 2 2 268.361 -0.013 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000428990093 298134434 /nfs/dbraw/zinc/13/44/34/298134434.db2.gz HCUMWKFQHOTGKX-SKDRFNHKSA-N 2 2 254.334 -0.403 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000428990093 298134439 /nfs/dbraw/zinc/13/44/39/298134439.db2.gz HCUMWKFQHOTGKX-SKDRFNHKSA-N 2 2 254.334 -0.403 20 0 CBADLP CC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000051763128 286784167 /nfs/dbraw/zinc/78/41/67/286784167.db2.gz ATLHOFREGBLHPU-OLZOCXBDSA-N 2 2 298.431 -0.005 20 0 CBADLP C[C@@H]1CN(C(=O)NCC2([NH+]3CCOCC3)CC2)C[C@H]1[NH3+] ZINC000333717677 296828129 /nfs/dbraw/zinc/82/81/29/296828129.db2.gz GEJROAFXBJNZQH-VXGBXAGGSA-N 2 2 282.388 -0.160 20 0 CBADLP C[C@@H](NC(=O)C1(C)C[NH2+]C1)[C@@H](C)[NH+]1CCOCC1 ZINC000423391559 286935847 /nfs/dbraw/zinc/93/58/47/286935847.db2.gz XBNUOYIBBWFQEC-GHMZBOCLSA-N 2 2 255.362 -0.179 20 0 CBADLP Cc1nc(N2CC([N@@H+]3CC[C@@H](O)C3)C2)nc(N)[nH+]1 ZINC000631330266 409400174 /nfs/dbraw/zinc/40/01/74/409400174.db2.gz APCGJEOGMGZQFW-SECBINFHSA-N 2 2 250.306 -0.983 20 0 CBADLP Cc1nc(N2CC([N@H+]3CC[C@@H](O)C3)C2)nc(N)[nH+]1 ZINC000631330266 409400180 /nfs/dbraw/zinc/40/01/80/409400180.db2.gz APCGJEOGMGZQFW-SECBINFHSA-N 2 2 250.306 -0.983 20 0 CBADLP C[C@@H]1CC(=O)NCC[NH+]1CCC[N@H+]1CCNC(=O)C[C@@H]1C ZINC000372333468 287200532 /nfs/dbraw/zinc/20/05/32/287200532.db2.gz OLPGDHDSRUFVHL-BETUJISGSA-N 2 2 296.415 -0.203 20 0 CBADLP C[C@@H]1CC(=O)NCC[NH+]1CCC[N@@H+]1CCNC(=O)C[C@@H]1C ZINC000372333468 287200534 /nfs/dbraw/zinc/20/05/34/287200534.db2.gz OLPGDHDSRUFVHL-BETUJISGSA-N 2 2 296.415 -0.203 20 0 CBADLP C[C@@H]1CC(=O)NCC[N@H+]1CCC[NH+]1CCNC(=O)C[C@@H]1C ZINC000372333468 287200536 /nfs/dbraw/zinc/20/05/36/287200536.db2.gz OLPGDHDSRUFVHL-BETUJISGSA-N 2 2 296.415 -0.203 20 0 CBADLP C[C@@H]1CC(=O)NCC[N@@H+]1CCC[NH+]1CCNC(=O)C[C@@H]1C ZINC000372333468 287200538 /nfs/dbraw/zinc/20/05/38/287200538.db2.gz OLPGDHDSRUFVHL-BETUJISGSA-N 2 2 296.415 -0.203 20 0 CBADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC(NC(N)=O)CC1 ZINC000659997993 413570571 /nfs/dbraw/zinc/57/05/71/413570571.db2.gz HIBITHGUTHBREY-LBPRGKRZSA-N 2 2 272.393 -0.180 20 0 CBADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC(NC(N)=O)CC1 ZINC000659997993 413570582 /nfs/dbraw/zinc/57/05/82/413570582.db2.gz HIBITHGUTHBREY-LBPRGKRZSA-N 2 2 272.393 -0.180 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2C[NH3+])C[C@@H]1[NH+]1CCOCC1 ZINC000662753604 413993905 /nfs/dbraw/zinc/99/39/05/413993905.db2.gz URNYEODUPRSUNV-MQYQWHSLSA-N 2 2 297.399 -0.471 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662749409 413994205 /nfs/dbraw/zinc/99/42/05/413994205.db2.gz LLELANCODBRMMZ-GHMZBOCLSA-N 2 2 288.367 -0.660 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662749409 413994215 /nfs/dbraw/zinc/99/42/15/413994215.db2.gz LLELANCODBRMMZ-GHMZBOCLSA-N 2 2 288.367 -0.660 20 0 CBADLP CN(C(=O)COCC[NH3+])[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662901648 414061303 /nfs/dbraw/zinc/06/13/03/414061303.db2.gz XWPIHOXBSXIFTO-CQSZACIVSA-N 3 2 298.431 -0.411 20 0 CBADLP CN(C(=O)COCC[NH3+])[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662901648 414061311 /nfs/dbraw/zinc/06/13/11/414061311.db2.gz XWPIHOXBSXIFTO-CQSZACIVSA-N 3 2 298.431 -0.411 20 0 CBADLP C[C@@H]1CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)[C@H](C[NH3+])C1 ZINC000662896558 414062014 /nfs/dbraw/zinc/06/20/14/414062014.db2.gz NXXWPTRPRKGMMC-WOPDTQHZSA-N 3 2 256.394 -0.149 20 0 CBADLP CC[C@H](C)NC(=O)[C@H](C)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031556 174025883 /nfs/dbraw/zinc/02/58/83/174025883.db2.gz BDKZHALARRERKN-RYUDHWBXSA-N 2 2 284.404 -0.347 20 0 CBADLP CC[C@H](C)NC(=O)[C@H](C)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031556 174025884 /nfs/dbraw/zinc/02/58/84/174025884.db2.gz BDKZHALARRERKN-RYUDHWBXSA-N 2 2 284.404 -0.347 20 0 CBADLP C[C@@H](C(=O)NC1CC1)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031567 174025968 /nfs/dbraw/zinc/02/59/68/174025968.db2.gz RHRZUOBYCRRDPC-JTQLQIEISA-N 2 2 268.361 -0.983 20 0 CBADLP C[C@@H](C(=O)NC1CC1)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031567 174025970 /nfs/dbraw/zinc/02/59/70/174025970.db2.gz RHRZUOBYCRRDPC-JTQLQIEISA-N 2 2 268.361 -0.983 20 0 CBADLP CC(C)CNC(=O)[C@@H](C)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031537 174026598 /nfs/dbraw/zinc/02/65/98/174026598.db2.gz QWAZKALNWROPAK-GFCCVEGCSA-N 2 2 284.404 -0.489 20 0 CBADLP CC(C)CNC(=O)[C@@H](C)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031537 174026599 /nfs/dbraw/zinc/02/65/99/174026599.db2.gz QWAZKALNWROPAK-GFCCVEGCSA-N 2 2 284.404 -0.489 20 0 CBADLP C[NH2+]C[C@H]1CCC[N@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000040600420 174350634 /nfs/dbraw/zinc/35/06/34/174350634.db2.gz UFNUDDGOKSNJII-SNVBAGLBSA-N 2 2 268.361 -0.094 20 0 CBADLP C[NH2+]C[C@H]1CCC[N@@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000040600420 174350635 /nfs/dbraw/zinc/35/06/35/174350635.db2.gz UFNUDDGOKSNJII-SNVBAGLBSA-N 2 2 268.361 -0.094 20 0 CBADLP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@H](C)C[NH+]2CCOCC2)C1 ZINC000040632748 174359026 /nfs/dbraw/zinc/35/90/26/174359026.db2.gz ZCWBVRNREVBWEG-GRYCIOLGSA-N 2 2 271.361 -0.800 20 0 CBADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000071146695 176042446 /nfs/dbraw/zinc/04/24/46/176042446.db2.gz HFHHYJFOOJYFRY-SECBINFHSA-N 2 2 254.334 -0.484 20 0 CBADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000071146695 176042448 /nfs/dbraw/zinc/04/24/48/176042448.db2.gz HFHHYJFOOJYFRY-SECBINFHSA-N 2 2 254.334 -0.484 20 0 CBADLP Cc1[nH+]ccn1CC[NH+]1CCN(S(C)(=O)=O)CC1 ZINC000077121889 177226108 /nfs/dbraw/zinc/22/61/08/177226108.db2.gz CEYLLIANYQOGRL-UHFFFAOYSA-N 2 2 272.374 -0.231 20 0 CBADLP C[C@H]1C(=O)NCC[NH+]1CCCCC[N@@H+]1CCNC(=O)[C@@H]1C ZINC000077278096 177248234 /nfs/dbraw/zinc/24/82/34/177248234.db2.gz GVAZMXWUUGVXOS-STQMWFEESA-N 2 2 296.415 -0.203 20 0 CBADLP C[C@H]1C(=O)NCC[NH+]1CCCCC[N@H+]1CCNC(=O)[C@@H]1C ZINC000077278096 177248236 /nfs/dbraw/zinc/24/82/36/177248236.db2.gz GVAZMXWUUGVXOS-STQMWFEESA-N 2 2 296.415 -0.203 20 0 CBADLP C[C@H](NC(=O)C[NH2+][C@](C)(C[NH3+])C1CC1)C(=O)N(C)C ZINC000430574621 299060600 /nfs/dbraw/zinc/06/06/00/299060600.db2.gz OLSPABRLBJAUKU-TVQRCGJNSA-N 2 2 270.377 -0.704 20 0 CBADLP C[C@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)[C@@H]1C[NH+](C)CCO1 ZINC000127102338 544456533 /nfs/dbraw/zinc/45/65/33/544456533.db2.gz KFVBVSUEYFZOCP-SRVKXCTJSA-N 2 2 271.361 -0.848 20 0 CBADLP C[C@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)[C@@H]1C[NH+](C)CCO1 ZINC000127102338 544456537 /nfs/dbraw/zinc/45/65/37/544456537.db2.gz KFVBVSUEYFZOCP-SRVKXCTJSA-N 2 2 271.361 -0.848 20 0 CBADLP C[C@H](NC(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1C[N@H+](C)CCO1 ZINC000127102338 544456541 /nfs/dbraw/zinc/45/65/41/544456541.db2.gz KFVBVSUEYFZOCP-SRVKXCTJSA-N 2 2 271.361 -0.848 20 0 CBADLP C[C@H](NC(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1C[N@@H+](C)CCO1 ZINC000127102338 544456546 /nfs/dbraw/zinc/45/65/46/544456546.db2.gz KFVBVSUEYFZOCP-SRVKXCTJSA-N 2 2 271.361 -0.848 20 0 CBADLP COCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000081355869 544429616 /nfs/dbraw/zinc/42/96/16/544429616.db2.gz WUWOTLCTRYXHJO-OLZOCXBDSA-N 2 2 285.388 -0.456 20 0 CBADLP COCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000081355869 544429619 /nfs/dbraw/zinc/42/96/19/544429619.db2.gz WUWOTLCTRYXHJO-OLZOCXBDSA-N 2 2 285.388 -0.456 20 0 CBADLP COCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000081355869 544429622 /nfs/dbraw/zinc/42/96/22/544429622.db2.gz WUWOTLCTRYXHJO-OLZOCXBDSA-N 2 2 285.388 -0.456 20 0 CBADLP COCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000081355869 544429624 /nfs/dbraw/zinc/42/96/24/544429624.db2.gz WUWOTLCTRYXHJO-OLZOCXBDSA-N 2 2 285.388 -0.456 20 0 CBADLP COC[C@@H]1CCC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000093178840 544442249 /nfs/dbraw/zinc/44/22/49/544442249.db2.gz CACPKFLGHDMKKT-LBPRGKRZSA-N 2 2 255.362 -0.129 20 0 CBADLP COC[C@@H]1CCC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000093178840 544442254 /nfs/dbraw/zinc/44/22/54/544442254.db2.gz CACPKFLGHDMKKT-LBPRGKRZSA-N 2 2 255.362 -0.129 20 0 CBADLP [NH3+]CCOCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000093230535 544442955 /nfs/dbraw/zinc/44/29/55/544442955.db2.gz RZERGAHIIDUQAU-UHFFFAOYSA-N 2 2 264.329 -0.295 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+](CC(N)=O)C2CCCC2)CC1 ZINC000093172007 544443218 /nfs/dbraw/zinc/44/32/18/544443218.db2.gz DLOGUFOJKHIDFL-UHFFFAOYSA-N 2 2 282.388 -0.510 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+](CC(N)=O)C2CCCC2)CC1 ZINC000093172007 544443220 /nfs/dbraw/zinc/44/32/20/544443220.db2.gz DLOGUFOJKHIDFL-UHFFFAOYSA-N 2 2 282.388 -0.510 20 0 CBADLP CN(C)C(=O)C[NH+]1CCN(C(=O)CC[C@H]2CC[NH2+]C2)CC1 ZINC000134511324 544461057 /nfs/dbraw/zinc/46/10/57/544461057.db2.gz IRZIXTCLUGPWQZ-ZDUSSCGKSA-N 2 2 296.415 -0.392 20 0 CBADLP CN(C)C(=O)C[NH+]1CCN(C(=O)CC[C@@H]2CC[NH2+]C2)CC1 ZINC000134511298 544461503 /nfs/dbraw/zinc/46/15/03/544461503.db2.gz IRZIXTCLUGPWQZ-CYBMUJFWSA-N 2 2 296.415 -0.392 20 0 CBADLP CCN(C)C(=O)[C@@H](C)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000231850935 544502297 /nfs/dbraw/zinc/50/22/97/544502297.db2.gz RDMVCQLADKZEEN-NEPJUHHUSA-N 2 2 257.378 -0.101 20 0 CBADLP C[C@@H]1C[C@@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000156146602 544471232 /nfs/dbraw/zinc/47/12/32/544471232.db2.gz LOHCEORHQOZSRB-OLZOCXBDSA-N 3 2 268.405 -0.167 20 0 CBADLP C[C@@H]1C[C@@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)CC[N@H+]1C ZINC000156146602 544471239 /nfs/dbraw/zinc/47/12/39/544471239.db2.gz LOHCEORHQOZSRB-OLZOCXBDSA-N 3 2 268.405 -0.167 20 0 CBADLP C[C@@H]1C[C@@H](NCC(=O)N2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000156146602 544471240 /nfs/dbraw/zinc/47/12/40/544471240.db2.gz LOHCEORHQOZSRB-OLZOCXBDSA-N 2 2 268.405 -0.167 20 0 CBADLP C[C@@H]1C[C@@H](NCC(=O)N2CC[NH+](C)CC2)CC[N@H+]1C ZINC000156146602 544471243 /nfs/dbraw/zinc/47/12/43/544471243.db2.gz LOHCEORHQOZSRB-OLZOCXBDSA-N 2 2 268.405 -0.167 20 0 CBADLP Cn1cc(CC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cn1 ZINC000162275795 544478023 /nfs/dbraw/zinc/47/80/23/544478023.db2.gz JDNVSELPIQVLKA-LLVKDONJSA-N 2 2 251.334 -0.936 20 0 CBADLP Cn1cc(CC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cn1 ZINC000162275795 544478028 /nfs/dbraw/zinc/47/80/28/544478028.db2.gz JDNVSELPIQVLKA-LLVKDONJSA-N 2 2 251.334 -0.936 20 0 CBADLP C[C@H](CNC(=O)N[C@H]1CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000333755205 544544995 /nfs/dbraw/zinc/54/49/95/544544995.db2.gz AOLQXQLHLOIWNO-NEPJUHHUSA-N 2 2 270.377 -0.242 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@H]([NH3+])CC(C)C)CC1 ZINC000236713427 544506519 /nfs/dbraw/zinc/50/65/19/544506519.db2.gz QFPRUCYIZAPHOH-CYBMUJFWSA-N 2 2 284.404 -0.360 20 0 CBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000237223392 544508056 /nfs/dbraw/zinc/50/80/56/544508056.db2.gz MQYWZUUXSFXYTH-HIFRSBDPSA-N 2 2 299.415 -0.472 20 0 CBADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)CC(C)(C)[NH3+])CC1 ZINC000237471573 544508847 /nfs/dbraw/zinc/50/88/47/544508847.db2.gz AZTRLKAURBVMAB-NSHDSACASA-N 2 2 296.415 -0.075 20 0 CBADLP C[NH+](C)CC(=O)N1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000350562047 544562143 /nfs/dbraw/zinc/56/21/43/544562143.db2.gz KGRFRLCCDYEBBH-UHFFFAOYSA-N 2 2 293.371 -0.425 20 0 CBADLP C[NH+](C)CC(=O)N1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000350562047 544562150 /nfs/dbraw/zinc/56/21/50/544562150.db2.gz KGRFRLCCDYEBBH-UHFFFAOYSA-N 2 2 293.371 -0.425 20 0 CBADLP CN(Cc1[nH+]ccn1C)C(=O)CN1CC[NH2+]CC1 ZINC000037823043 419412736 /nfs/dbraw/zinc/41/27/36/419412736.db2.gz ZPMZLZXAHODGER-UHFFFAOYSA-N 2 2 251.334 -0.716 20 0 CBADLP COCC1([NH2+]CC(=O)N2CC[NH+](C)CC2)CCOCC1 ZINC000660635781 419417517 /nfs/dbraw/zinc/41/75/17/419417517.db2.gz LQSHMGYWLXYFOI-UHFFFAOYSA-N 2 2 285.388 -0.454 20 0 CBADLP CC(C)C[C@@H](CNC(=O)[C@H]1C[C@H](O)C[NH2+]1)[NH+]1CCOCC1 ZINC000040824634 419418189 /nfs/dbraw/zinc/41/81/89/419418189.db2.gz SCFKIQMZXYXLCE-MELADBBJSA-N 2 2 299.415 -0.428 20 0 CBADLP CCS(=O)(=O)CC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000103213164 419479022 /nfs/dbraw/zinc/47/90/22/419479022.db2.gz RVRYYEUPJCZULD-UHFFFAOYSA-N 2 2 293.433 -0.627 20 0 CBADLP C[C@H](O)CNc1cc(NCC[N@@H+]2CC[C@@H](O)C2)nc[nH+]1 ZINC000624677409 419425056 /nfs/dbraw/zinc/42/50/56/419425056.db2.gz GZAOJSDKFRKAFP-WDEREUQCSA-N 2 2 281.360 -0.252 20 0 CBADLP C[C@H](O)CNc1cc(NCC[N@H+]2CC[C@@H](O)C2)nc[nH+]1 ZINC000624677409 419425064 /nfs/dbraw/zinc/42/50/64/419425064.db2.gz GZAOJSDKFRKAFP-WDEREUQCSA-N 2 2 281.360 -0.252 20 0 CBADLP O=C([C@H]1C[NH2+]CCO1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000043709739 419427778 /nfs/dbraw/zinc/42/77/78/419427778.db2.gz IUZPLNAJKMUIEH-QWHCGFSZSA-N 2 2 283.372 -0.702 20 0 CBADLP O=C([C@H]1C[NH2+]CCO1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000043798915 419431595 /nfs/dbraw/zinc/43/15/95/419431595.db2.gz GXFAHKGKGWQKHG-CQSZACIVSA-N 2 2 290.367 -0.286 20 0 CBADLP O=C(NCCCCn1cc[nH+]c1)[C@@H]1C[NH2+]CCO1 ZINC000045109239 419433400 /nfs/dbraw/zinc/43/34/00/419433400.db2.gz OZYABGGEQSMXED-NSHDSACASA-N 2 2 252.318 -0.232 20 0 CBADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000660764970 419434412 /nfs/dbraw/zinc/43/44/12/419434412.db2.gz RYSJNWTWVXJKJB-AVGNSLFASA-N 2 2 285.388 -0.723 20 0 CBADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000660764970 419434420 /nfs/dbraw/zinc/43/44/20/419434420.db2.gz RYSJNWTWVXJKJB-AVGNSLFASA-N 2 2 285.388 -0.723 20 0 CBADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000660764970 419434429 /nfs/dbraw/zinc/43/44/29/419434429.db2.gz RYSJNWTWVXJKJB-AVGNSLFASA-N 2 2 285.388 -0.723 20 0 CBADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000660764970 419434437 /nfs/dbraw/zinc/43/44/37/419434437.db2.gz RYSJNWTWVXJKJB-AVGNSLFASA-N 2 2 285.388 -0.723 20 0 CBADLP C[NH2+]CCOCC[N@H+](C)CC(=O)Nc1ccon1 ZINC000629567451 419459020 /nfs/dbraw/zinc/45/90/20/419459020.db2.gz DTRUGYVZCYQMNX-UHFFFAOYSA-N 2 2 256.306 -0.219 20 0 CBADLP C[NH2+]CCOCC[N@@H+](C)CC(=O)Nc1ccon1 ZINC000629567451 419459030 /nfs/dbraw/zinc/45/90/30/419459030.db2.gz DTRUGYVZCYQMNX-UHFFFAOYSA-N 2 2 256.306 -0.219 20 0 CBADLP Cc1cc(NC(=O)CC[NH2+]CC[N@@H+]2CC[C@@H](O)C2)no1 ZINC000629607641 419459843 /nfs/dbraw/zinc/45/98/43/419459843.db2.gz XGPTUUUSUFKDQE-LLVKDONJSA-N 2 2 282.344 -0.032 20 0 CBADLP Cc1cc(NC(=O)CC[NH2+]CC[N@H+]2CC[C@@H](O)C2)no1 ZINC000629607641 419459851 /nfs/dbraw/zinc/45/98/51/419459851.db2.gz XGPTUUUSUFKDQE-LLVKDONJSA-N 2 2 282.344 -0.032 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](Cn2ccnn2)C1 ZINC000661143611 419470436 /nfs/dbraw/zinc/47/04/36/419470436.db2.gz UZNUSLSSFHQODT-KBPBESRZSA-N 2 2 297.403 -0.461 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](Cn2ccnn2)C1 ZINC000661143611 419470447 /nfs/dbraw/zinc/47/04/47/419470447.db2.gz UZNUSLSSFHQODT-KBPBESRZSA-N 2 2 297.403 -0.461 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000661143611 419470456 /nfs/dbraw/zinc/47/04/56/419470456.db2.gz UZNUSLSSFHQODT-KBPBESRZSA-N 2 2 297.403 -0.461 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000661143611 419470465 /nfs/dbraw/zinc/47/04/65/419470465.db2.gz UZNUSLSSFHQODT-KBPBESRZSA-N 2 2 297.403 -0.461 20 0 CBADLP Cc1nc(N2CC[NH+](CC(C)(C)O)CC2)nc(N)[nH+]1 ZINC000631097712 419472436 /nfs/dbraw/zinc/47/24/36/419472436.db2.gz NZLYCMONBXDRPG-UHFFFAOYSA-N 2 2 266.349 -0.345 20 0 CBADLP Cc1nc(NC[C@@H](C)N2CC[NH+](C)CC2)nc(N)[nH+]1 ZINC000631095736 419474202 /nfs/dbraw/zinc/47/42/02/419474202.db2.gz MQNPWWFKWJNFCF-SECBINFHSA-N 2 2 265.365 -0.768 20 0 CBADLP Cc1nc(N2CCC([N@H+](C)CCO)CC2)nc(N)[nH+]1 ZINC000631103409 419474351 /nfs/dbraw/zinc/47/43/51/419474351.db2.gz GZKHACLFAIPLCS-UHFFFAOYSA-N 2 2 266.349 -0.345 20 0 CBADLP Cc1nc(N2CCC([N@@H+](C)CCO)CC2)nc(N)[nH+]1 ZINC000631103409 419474358 /nfs/dbraw/zinc/47/43/58/419474358.db2.gz GZKHACLFAIPLCS-UHFFFAOYSA-N 2 2 266.349 -0.345 20 0 CBADLP Cc1nc(N)nc(N2CCC([N@H+](C)CCO)CC2)[nH+]1 ZINC000631103409 419474364 /nfs/dbraw/zinc/47/43/64/419474364.db2.gz GZKHACLFAIPLCS-UHFFFAOYSA-N 2 2 266.349 -0.345 20 0 CBADLP Cc1nc(N)nc(N2CCC([N@@H+](C)CCO)CC2)[nH+]1 ZINC000631103409 419474370 /nfs/dbraw/zinc/47/43/70/419474370.db2.gz GZKHACLFAIPLCS-UHFFFAOYSA-N 2 2 266.349 -0.345 20 0 CBADLP Cc1nc(N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)nc(N)[nH+]1 ZINC000631098754 419474569 /nfs/dbraw/zinc/47/45/69/419474569.db2.gz RZLKBPALEHSAPG-QWRGUYRKSA-N 2 2 278.360 -0.202 20 0 CBADLP Cc1nc(NC[C@H](C(C)C)[NH+]2CCOCC2)nc(N)[nH+]1 ZINC000631050179 419474822 /nfs/dbraw/zinc/47/48/22/419474822.db2.gz RAROWEAAEQWFJC-LLVKDONJSA-N 2 2 280.376 -0.047 20 0 CBADLP C[NH+](C)CC(=O)N1CC[NH+](CCOCC(F)F)CC1 ZINC000188724536 419525728 /nfs/dbraw/zinc/52/57/28/419525728.db2.gz DBQMUOPIKCTVOQ-UHFFFAOYSA-N 2 2 279.331 -0.026 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC(=O)N(C)CC2)CC1 ZINC000661808402 419526803 /nfs/dbraw/zinc/52/68/03/419526803.db2.gz HWQMFOVCCMOARZ-ZDUSSCGKSA-N 2 2 296.415 -0.297 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC(=O)N(C)CC2)CC1 ZINC000661808402 419526815 /nfs/dbraw/zinc/52/68/15/419526815.db2.gz HWQMFOVCCMOARZ-ZDUSSCGKSA-N 2 2 296.415 -0.297 20 0 CBADLP CO[C@@H]1CS(=O)(=O)[C@H]2C[N@H+](CCc3c[nH+]cn3C)C[C@H]21 ZINC000661883087 419535600 /nfs/dbraw/zinc/53/56/00/419535600.db2.gz CREAYFPWBGFSGJ-XQQFMLRXSA-N 2 2 299.396 -0.294 20 0 CBADLP CO[C@@H]1CS(=O)(=O)[C@H]2C[N@@H+](CCc3c[nH+]cn3C)C[C@H]21 ZINC000661883087 419535610 /nfs/dbraw/zinc/53/56/10/419535610.db2.gz CREAYFPWBGFSGJ-XQQFMLRXSA-N 2 2 299.396 -0.294 20 0 CBADLP O=C1NCCC[C@H]1[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662152513 419550054 /nfs/dbraw/zinc/55/00/54/419550054.db2.gz GSYDWXMESLCRBU-CHWSQXEVSA-N 2 2 267.373 -0.204 20 0 CBADLP O=C1NCCC[C@H]1[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662152513 419550060 /nfs/dbraw/zinc/55/00/60/419550060.db2.gz GSYDWXMESLCRBU-CHWSQXEVSA-N 2 2 267.373 -0.204 20 0 CBADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)[C@H]2C[NH+](C)CCO2)C[C@H](C)O1 ZINC000194764162 419551374 /nfs/dbraw/zinc/55/13/74/419551374.db2.gz NOLYUAVDKZHLMC-HZSPNIEDSA-N 2 2 299.415 -0.115 20 0 CBADLP C[C@@H]1C[N@H+](CCN(C)C(=O)[C@H]2C[NH+](C)CCO2)C[C@H](C)O1 ZINC000194764162 419551385 /nfs/dbraw/zinc/55/13/85/419551385.db2.gz NOLYUAVDKZHLMC-HZSPNIEDSA-N 2 2 299.415 -0.115 20 0 CBADLP C[C@@H]1C[NH+](CCN(C)C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H](C)O1 ZINC000194764162 419551392 /nfs/dbraw/zinc/55/13/92/419551392.db2.gz NOLYUAVDKZHLMC-HZSPNIEDSA-N 2 2 299.415 -0.115 20 0 CBADLP C[C@@H]1C[NH+](CCN(C)C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H](C)O1 ZINC000194764162 419551397 /nfs/dbraw/zinc/55/13/97/419551397.db2.gz NOLYUAVDKZHLMC-HZSPNIEDSA-N 2 2 299.415 -0.115 20 0 CBADLP C[C@H]([NH3+])CNC(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000194842930 419553203 /nfs/dbraw/zinc/55/32/03/419553203.db2.gz NBHLOYSCUSDBLZ-LBPRGKRZSA-N 2 2 277.372 -0.333 20 0 CBADLP CC[N@H+](C)CCNC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000194838384 419555824 /nfs/dbraw/zinc/55/58/24/419555824.db2.gz DQQIQWFJGCHCBB-LBPRGKRZSA-N 2 2 272.393 -0.042 20 0 CBADLP CC[N@@H+](C)CCNC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000194838384 419555828 /nfs/dbraw/zinc/55/58/28/419555828.db2.gz DQQIQWFJGCHCBB-LBPRGKRZSA-N 2 2 272.393 -0.042 20 0 CBADLP OC[C@@]1(CNc2cc[nH+]c(C3CC3)n2)COCC[NH2+]1 ZINC000641687968 419556992 /nfs/dbraw/zinc/55/69/92/419556992.db2.gz HBWAWPLLRMIWLF-ZDUSSCGKSA-N 2 2 264.329 0.117 20 0 CBADLP O=C1NCCN1[C@@H]1CCC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662254923 419563551 /nfs/dbraw/zinc/56/35/51/419563551.db2.gz VARLNJSMFMNEPV-NEPJUHHUSA-N 2 2 268.361 -0.536 20 0 CBADLP O=C1NCCN1[C@@H]1CCC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662254923 419563560 /nfs/dbraw/zinc/56/35/60/419563560.db2.gz VARLNJSMFMNEPV-NEPJUHHUSA-N 2 2 268.361 -0.536 20 0 CBADLP NC(=O)CC[C@H]1CCC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662253754 419563879 /nfs/dbraw/zinc/56/38/79/419563879.db2.gz KJHONCCOXZTKKA-NEPJUHHUSA-N 2 2 255.362 -0.048 20 0 CBADLP NC(=O)CC[C@H]1CCC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662253754 419563883 /nfs/dbraw/zinc/56/38/83/419563883.db2.gz KJHONCCOXZTKKA-NEPJUHHUSA-N 2 2 255.362 -0.048 20 0 CBADLP C[C@@H](CS(C)(=O)=O)[N@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662256895 419563939 /nfs/dbraw/zinc/56/39/39/419563939.db2.gz ZARLPRDVMWFDQJ-WDEREUQCSA-N 2 2 276.402 -0.128 20 0 CBADLP C[C@@H](CS(C)(=O)=O)[N@@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662256895 419563948 /nfs/dbraw/zinc/56/39/48/419563948.db2.gz ZARLPRDVMWFDQJ-WDEREUQCSA-N 2 2 276.402 -0.128 20 0 CBADLP O=C([C@H]1CCCC[N@@H+]1C[C@@H]1C[NH2+]CCO1)N1CCOCC1 ZINC000662258609 419565171 /nfs/dbraw/zinc/56/51/71/419565171.db2.gz VPWMLTCAUYTRGY-UONOGXRCSA-N 2 2 297.399 -0.312 20 0 CBADLP O=C([C@H]1CCCC[N@H+]1C[C@@H]1C[NH2+]CCO1)N1CCOCC1 ZINC000662258609 419565177 /nfs/dbraw/zinc/56/51/77/419565177.db2.gz VPWMLTCAUYTRGY-UONOGXRCSA-N 2 2 297.399 -0.312 20 0 CBADLP CC(C)(O)C[NH+]1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000389267886 544577952 /nfs/dbraw/zinc/57/79/52/544577952.db2.gz HBPYIUCYTOVEKZ-UHFFFAOYSA-N 2 2 266.345 -0.202 20 0 CBADLP Cc1cn2c([nH+]1)CC[C@H](NC(=O)[C@H]1COCC[NH2+]1)C2 ZINC000167152656 419503436 /nfs/dbraw/zinc/50/34/36/419503436.db2.gz AWANSRLZFYRACZ-WDEREUQCSA-N 2 2 264.329 -0.389 20 0 CBADLP CC1(C)C[N@H+](CCNC(=O)C[NH2+]C2CC2)CCO1 ZINC000178925142 419507020 /nfs/dbraw/zinc/50/70/20/419507020.db2.gz KQVCFHPGUXCPGN-UHFFFAOYSA-N 2 2 255.362 -0.035 20 0 CBADLP CC1(C)C[N@@H+](CCNC(=O)C[NH2+]C2CC2)CCO1 ZINC000178925142 419507028 /nfs/dbraw/zinc/50/70/28/419507028.db2.gz KQVCFHPGUXCPGN-UHFFFAOYSA-N 2 2 255.362 -0.035 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC(O)(CO)CC2)CC1 ZINC000661617961 419509175 /nfs/dbraw/zinc/50/91/75/419509175.db2.gz PXDRAIZEOXMJJX-ZDUSSCGKSA-N 2 2 299.415 -0.642 20 0 CBADLP C[NH2+]CCCC(=O)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000394378746 544578349 /nfs/dbraw/zinc/57/83/49/544578349.db2.gz BFRHDVXGCBRCTC-GFCCVEGCSA-N 2 2 254.378 -0.508 20 0 CBADLP C[NH2+]CCCC(=O)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000394378746 544578353 /nfs/dbraw/zinc/57/83/53/544578353.db2.gz BFRHDVXGCBRCTC-GFCCVEGCSA-N 2 2 254.378 -0.508 20 0 CBADLP [NH3+]Cc1ccc(C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)o1 ZINC000394373019 544579810 /nfs/dbraw/zinc/57/98/10/544579810.db2.gz ATFOIZFWKNEKPM-NSHDSACASA-N 2 2 278.356 -0.142 20 0 CBADLP [NH3+]Cc1ccc(C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)o1 ZINC000394373019 544579812 /nfs/dbraw/zinc/57/98/12/544579812.db2.gz ATFOIZFWKNEKPM-NSHDSACASA-N 2 2 278.356 -0.142 20 0 CBADLP C([C@@H]1CCC[N@@H+]1C[C@@H]1C[NH2+]CCO1)N1CCOCC1 ZINC000662261452 419569959 /nfs/dbraw/zinc/56/99/59/419569959.db2.gz YYOYBGQCNSDNPZ-KBPBESRZSA-N 2 2 269.389 -0.229 20 0 CBADLP C([C@@H]1CCC[N@H+]1C[C@@H]1C[NH2+]CCO1)N1CCOCC1 ZINC000662261452 419569969 /nfs/dbraw/zinc/56/99/69/419569969.db2.gz YYOYBGQCNSDNPZ-KBPBESRZSA-N 2 2 269.389 -0.229 20 0 CBADLP C([C@@H]1CCCN1C[C@@H]1C[NH2+]CCO1)[NH+]1CCOCC1 ZINC000662261452 419569977 /nfs/dbraw/zinc/56/99/77/419569977.db2.gz YYOYBGQCNSDNPZ-KBPBESRZSA-N 2 2 269.389 -0.229 20 0 CBADLP CC[C@@H](C)NC(=O)C[NH+]1CCN(C[C@@H]2C[NH2+]CCO2)CC1 ZINC000662276636 419571065 /nfs/dbraw/zinc/57/10/65/419571065.db2.gz KRDBXFJEDPJFCF-KGLIPLIRSA-N 2 2 298.431 -0.493 20 0 CBADLP CO[C@H](C[N@H+](CC[NH3+])C[C@@H](O)CO)C1CCCC1 ZINC000662285579 419572358 /nfs/dbraw/zinc/57/23/58/419572358.db2.gz DWNGHWCRTFAQBZ-CHWSQXEVSA-N 2 2 260.378 -0.195 20 0 CBADLP CO[C@H](C[N@@H+](CC[NH3+])C[C@@H](O)CO)C1CCCC1 ZINC000662285579 419572365 /nfs/dbraw/zinc/57/23/65/419572365.db2.gz DWNGHWCRTFAQBZ-CHWSQXEVSA-N 2 2 260.378 -0.195 20 0 CBADLP Cc1nc(N2CCN(C[C@@H]3C[NH2+]CCO3)CC2)cc[nH+]1 ZINC000662279571 419572565 /nfs/dbraw/zinc/57/25/65/419572565.db2.gz VRMKZGWJTCSCSJ-ZDUSSCGKSA-N 2 2 277.372 -0.105 20 0 CBADLP Cn1cc[nH+]c1CN1CCN(C[C@@H]2C[NH2+]CCO2)CC1 ZINC000662276742 419574007 /nfs/dbraw/zinc/57/40/07/419574007.db2.gz LYMMOBLWCOPTHT-ZDUSSCGKSA-N 2 2 279.388 -0.474 20 0 CBADLP O=C(CC1CC[NH2+]CC1)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000394385176 544580760 /nfs/dbraw/zinc/58/07/60/544580760.db2.gz LAZKWLOWBIQKMG-AWEZNQCLSA-N 2 2 280.416 -0.118 20 0 CBADLP O=C(CC1CC[NH2+]CC1)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000394385176 544580767 /nfs/dbraw/zinc/58/07/67/544580767.db2.gz LAZKWLOWBIQKMG-AWEZNQCLSA-N 2 2 280.416 -0.118 20 0 CBADLP O=c1n(CC[NH2+]C2(CO)CC[NH2+]CC2)nc2ccccn21 ZINC000662285640 419575596 /nfs/dbraw/zinc/57/55/96/419575596.db2.gz JHGVJESILZAVAW-UHFFFAOYSA-N 2 2 291.355 -0.800 20 0 CBADLP COc1ccc(CC[N@H+](CC[NH3+])C[C@H](O)CO)cc1 ZINC000662288376 419577681 /nfs/dbraw/zinc/57/76/81/419577681.db2.gz GRTJXUPEOUWIDF-ZDUSSCGKSA-N 2 2 268.357 -0.148 20 0 CBADLP COc1ccc(CC[N@@H+](CC[NH3+])C[C@H](O)CO)cc1 ZINC000662288376 419577688 /nfs/dbraw/zinc/57/76/88/419577688.db2.gz GRTJXUPEOUWIDF-ZDUSSCGKSA-N 2 2 268.357 -0.148 20 0 CBADLP CN(CC[N@H+](CC[NH3+])C[C@H](O)CO)c1ccccc1 ZINC000662287549 419578583 /nfs/dbraw/zinc/57/85/83/419578583.db2.gz CGZWQLIXYPUBIE-AWEZNQCLSA-N 2 2 267.373 -0.263 20 0 CBADLP CN(CC[N@@H+](CC[NH3+])C[C@H](O)CO)c1ccccc1 ZINC000662287549 419578589 /nfs/dbraw/zinc/57/85/89/419578589.db2.gz CGZWQLIXYPUBIE-AWEZNQCLSA-N 2 2 267.373 -0.263 20 0 CBADLP c1cn(C[C@@H]2CC[N@H+](C[C@H]3C[NH2+]CCO3)C2)nn1 ZINC000662296856 419579796 /nfs/dbraw/zinc/57/97/96/419579796.db2.gz VATGZYLCKYERJO-VXGBXAGGSA-N 2 2 251.334 -0.412 20 0 CBADLP c1cn(C[C@@H]2CC[N@@H+](C[C@H]3C[NH2+]CCO3)C2)nn1 ZINC000662296856 419579806 /nfs/dbraw/zinc/57/98/06/419579806.db2.gz VATGZYLCKYERJO-VXGBXAGGSA-N 2 2 251.334 -0.412 20 0 CBADLP CN(C)S(=O)(=O)CCC[N@H+](C)CC(C)(C)[NH3+] ZINC000662292749 419580542 /nfs/dbraw/zinc/58/05/42/419580542.db2.gz KWLYYEZZHGWHGV-UHFFFAOYSA-N 2 2 251.396 -0.063 20 0 CBADLP CN(C)S(=O)(=O)CCC[N@@H+](C)CC(C)(C)[NH3+] ZINC000662292749 419580552 /nfs/dbraw/zinc/58/05/52/419580552.db2.gz KWLYYEZZHGWHGV-UHFFFAOYSA-N 2 2 251.396 -0.063 20 0 CBADLP O=C(C[C@H]1CCC[NH2+]1)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000394384395 544581750 /nfs/dbraw/zinc/58/17/50/544581750.db2.gz JCWJRBQURFFMLA-CHWSQXEVSA-N 2 2 266.389 -0.365 20 0 CBADLP O=C(C[C@H]1CCC[NH2+]1)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000394384395 544581754 /nfs/dbraw/zinc/58/17/54/544581754.db2.gz JCWJRBQURFFMLA-CHWSQXEVSA-N 2 2 266.389 -0.365 20 0 CBADLP C[C@@H](CNC(=O)C[NH2+]C[C@@H]1CCCO1)[NH+]1CCOCC1 ZINC000237546505 419583657 /nfs/dbraw/zinc/58/36/57/419583657.db2.gz XMKKSMNWLUPXIX-STQMWFEESA-N 2 2 285.388 -0.408 20 0 CBADLP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)CN1CC[NH2+]CC1=O ZINC000237673659 419583909 /nfs/dbraw/zinc/58/39/09/419583909.db2.gz PFYWZVIQLZCPNT-CYBMUJFWSA-N 2 2 296.415 -0.201 20 0 CBADLP C[C@@H]1CCCC[N@H+]1CCCNC(=O)CN1CC[NH2+]CC1=O ZINC000237673659 419583915 /nfs/dbraw/zinc/58/39/15/419583915.db2.gz PFYWZVIQLZCPNT-CYBMUJFWSA-N 2 2 296.415 -0.201 20 0 CBADLP [NH3+][C@@H]1C[N@H+](CCC(=O)N2CCOCC2)CC[C@H]1F ZINC000662321032 419584232 /nfs/dbraw/zinc/58/42/32/419584232.db2.gz CQVBEDQXXDISQI-GHMZBOCLSA-N 2 2 259.325 -0.394 20 0 CBADLP [NH3+][C@@H]1C[N@@H+](CCC(=O)N2CCOCC2)CC[C@H]1F ZINC000662321032 419584241 /nfs/dbraw/zinc/58/42/41/419584241.db2.gz CQVBEDQXXDISQI-GHMZBOCLSA-N 2 2 259.325 -0.394 20 0 CBADLP C[C@@H](CNC(=O)CN1CC[NH2+]CC1=O)C[NH+]1CCCCC1 ZINC000237544032 419584385 /nfs/dbraw/zinc/58/43/85/419584385.db2.gz GAHCCWPQRLOZOZ-ZDUSSCGKSA-N 2 2 296.415 -0.344 20 0 CBADLP [NH3+]CC12CC(C1)C[N@@H+]2CCC(=O)N1CCOCC1 ZINC000662306713 419584366 /nfs/dbraw/zinc/58/43/66/419584366.db2.gz DRTIBXNBBKAUMR-UHFFFAOYSA-N 2 2 253.346 -0.342 20 0 CBADLP [NH3+]CC12CC(C1)C[N@H+]2CCC(=O)N1CCOCC1 ZINC000662306713 419584382 /nfs/dbraw/zinc/58/43/82/419584382.db2.gz DRTIBXNBBKAUMR-UHFFFAOYSA-N 2 2 253.346 -0.342 20 0 CBADLP CN(C)C(=O)N(C)[C@H]1CC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662314715 419584921 /nfs/dbraw/zinc/58/49/21/419584921.db2.gz BDVAKCXBVIEMIG-RYUDHWBXSA-N 2 2 270.377 -0.338 20 0 CBADLP CN(C)C(=O)N(C)[C@H]1CC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662314715 419584925 /nfs/dbraw/zinc/58/49/25/419584925.db2.gz BDVAKCXBVIEMIG-RYUDHWBXSA-N 2 2 270.377 -0.338 20 0 CBADLP CO[C@@H]1CS(=O)(=O)[C@H]2C[N@H+](C[C@@H]3CC[NH2+]C3)C[C@H]21 ZINC000662313460 419587197 /nfs/dbraw/zinc/58/71/97/419587197.db2.gz LGEKIWNAZVDWGU-KXNHARMFSA-N 2 2 274.386 -0.660 20 0 CBADLP CO[C@@H]1CS(=O)(=O)[C@H]2C[N@@H+](C[C@@H]3CC[NH2+]C3)C[C@H]21 ZINC000662313460 419587200 /nfs/dbraw/zinc/58/72/00/419587200.db2.gz LGEKIWNAZVDWGU-KXNHARMFSA-N 2 2 274.386 -0.660 20 0 CBADLP COCC[N@@H+]1CCN(C(=O)[C@H]2COCC[NH2+]2)C[C@H]1C ZINC000246295947 419593484 /nfs/dbraw/zinc/59/34/84/419593484.db2.gz NQOPGGCUQVCUPM-VXGBXAGGSA-N 2 2 271.361 -0.846 20 0 CBADLP COCC[N@H+]1CCN(C(=O)[C@H]2COCC[NH2+]2)C[C@H]1C ZINC000246295947 419593492 /nfs/dbraw/zinc/59/34/92/419593492.db2.gz NQOPGGCUQVCUPM-VXGBXAGGSA-N 2 2 271.361 -0.846 20 0 CBADLP CS(=O)(=O)N[C@@H]1CCC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000647513803 419596041 /nfs/dbraw/zinc/59/60/41/419596041.db2.gz GBZYBVQPBKVGBW-NWDGAFQWSA-N 2 2 275.418 0.000 20 0 CBADLP CS(=O)(=O)N[C@@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000647513803 419596049 /nfs/dbraw/zinc/59/60/49/419596049.db2.gz GBZYBVQPBKVGBW-NWDGAFQWSA-N 2 2 275.418 0.000 20 0 CBADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1COCC[NH2+]1 ZINC000262625277 419599516 /nfs/dbraw/zinc/59/95/16/419599516.db2.gz BFPLEVMQVIKNPG-NWDGAFQWSA-N 2 2 271.361 -0.798 20 0 CBADLP COCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1COCC[NH2+]1 ZINC000262625277 419599525 /nfs/dbraw/zinc/59/95/25/419599525.db2.gz BFPLEVMQVIKNPG-NWDGAFQWSA-N 2 2 271.361 -0.798 20 0 CBADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CC(=O)NCCO ZINC000647522415 419602766 /nfs/dbraw/zinc/60/27/66/419602766.db2.gz YTCVJCKEMAHUAY-CQSZACIVSA-N 2 2 295.383 -0.823 20 0 CBADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CC(=O)NCCO ZINC000647522415 419602776 /nfs/dbraw/zinc/60/27/76/419602776.db2.gz YTCVJCKEMAHUAY-CQSZACIVSA-N 2 2 295.383 -0.823 20 0 CBADLP CNC(=O)[C@H](CO)[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000647526549 419604553 /nfs/dbraw/zinc/60/45/53/419604553.db2.gz GHSCCDWRBVAINN-KGLIPLIRSA-N 2 2 295.383 -0.824 20 0 CBADLP CNC(=O)[C@H](CO)[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000647526549 419604560 /nfs/dbraw/zinc/60/45/60/419604560.db2.gz GHSCCDWRBVAINN-KGLIPLIRSA-N 2 2 295.383 -0.824 20 0 CBADLP CCCN(C(=O)C(=O)N1CC[NH+](C)CC1)[C@H]1CC[N@H+](C)C1 ZINC000647568859 419611296 /nfs/dbraw/zinc/61/12/96/419611296.db2.gz VNJSQGAYFYOVCN-ZDUSSCGKSA-N 2 2 296.415 -0.297 20 0 CBADLP CCCN(C(=O)C(=O)N1CC[NH+](C)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000647568859 419611303 /nfs/dbraw/zinc/61/13/03/419611303.db2.gz VNJSQGAYFYOVCN-ZDUSSCGKSA-N 2 2 296.415 -0.297 20 0 CBADLP Cn1cnnc1[C@H]1CCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000311757671 419622269 /nfs/dbraw/zinc/62/22/69/419622269.db2.gz DOXRNGXDWDLYPV-GFCCVEGCSA-N 2 2 264.377 -0.143 20 0 CBADLP Cn1cnnc1[C@H]1CCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000311757671 419622277 /nfs/dbraw/zinc/62/22/77/419622277.db2.gz DOXRNGXDWDLYPV-GFCCVEGCSA-N 2 2 264.377 -0.143 20 0 CBADLP O=C(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)NC[C@H]1CCCO1 ZINC000312044316 419623133 /nfs/dbraw/zinc/62/31/33/419623133.db2.gz YAWGAEUKIJOALQ-JHJVBQTASA-N 2 2 267.373 -0.177 20 0 CBADLP O=C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)NC[C@H]1CCCO1 ZINC000312044316 419623141 /nfs/dbraw/zinc/62/31/41/419623141.db2.gz YAWGAEUKIJOALQ-JHJVBQTASA-N 2 2 267.373 -0.177 20 0 CBADLP C[N@@H+]1CCN(C[C@H](O)C[NH+]2CCOCC2)CC1(C)C ZINC000312078828 419625056 /nfs/dbraw/zinc/62/50/56/419625056.db2.gz RRZZBFGWYXJWHR-CYBMUJFWSA-N 2 2 271.405 -0.295 20 0 CBADLP C[N@H+]1CCN(C[C@H](O)C[NH+]2CCOCC2)CC1(C)C ZINC000312078828 419625061 /nfs/dbraw/zinc/62/50/61/419625061.db2.gz RRZZBFGWYXJWHR-CYBMUJFWSA-N 2 2 271.405 -0.295 20 0 CBADLP O=C(CCn1cc[nH+]c1)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000647678819 419630036 /nfs/dbraw/zinc/63/00/36/419630036.db2.gz AALNPOLZUGKMAX-ZDUSSCGKSA-N 2 2 277.372 -0.221 20 0 CBADLP O=C(CCn1cc[nH+]c1)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000647678819 419630043 /nfs/dbraw/zinc/63/00/43/419630043.db2.gz AALNPOLZUGKMAX-ZDUSSCGKSA-N 2 2 277.372 -0.221 20 0 CBADLP C[C@H](c1nc(N)nc(N(C)C)n1)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000647829755 419664095 /nfs/dbraw/zinc/66/40/95/419664095.db2.gz UVHHULJCBWVIQI-BDAKNGLRSA-N 2 2 265.365 -0.139 20 0 CBADLP C[C@H](c1nc(N)nc(N(C)C)n1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000647829755 419664104 /nfs/dbraw/zinc/66/41/04/419664104.db2.gz UVHHULJCBWVIQI-BDAKNGLRSA-N 2 2 265.365 -0.139 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H](N)CC[NH+](C)C)[C@H](C)CO1 ZINC000662635928 419664210 /nfs/dbraw/zinc/66/42/10/419664210.db2.gz WVKFHAXOJCDRJQ-JHJVBQTASA-N 2 2 286.420 -0.509 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H](N)CC[NH+](C)C)[C@H](C)CO1 ZINC000662635928 419664216 /nfs/dbraw/zinc/66/42/16/419664216.db2.gz WVKFHAXOJCDRJQ-JHJVBQTASA-N 2 2 286.420 -0.509 20 0 CBADLP C[C@@H](NC(=O)C[N@H+](C)CCC[NH3+])C(=O)N1CCCCC1 ZINC000647848098 419669625 /nfs/dbraw/zinc/66/96/25/419669625.db2.gz DFAOKFATLFNYGF-GFCCVEGCSA-N 2 2 284.404 -0.216 20 0 CBADLP C[C@@H](NC(=O)C[N@@H+](C)CCC[NH3+])C(=O)N1CCCCC1 ZINC000647848098 419669631 /nfs/dbraw/zinc/66/96/31/419669631.db2.gz DFAOKFATLFNYGF-GFCCVEGCSA-N 2 2 284.404 -0.216 20 0 CBADLP O=C(C[C@@H]1C[NH2+]CCO1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000662655818 419671017 /nfs/dbraw/zinc/67/10/17/419671017.db2.gz KXDYUEITIYMPBR-QWHCGFSZSA-N 2 2 283.372 -0.702 20 0 CBADLP O=C([C@H]1CCC[NH2+]1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000662655856 419671311 /nfs/dbraw/zinc/67/13/11/419671311.db2.gz LYYHFCMKUINVHI-NWDGAFQWSA-N 2 2 253.346 -0.329 20 0 CBADLP C[N@H+](CCC[NH3+])CC(=O)NCCCN1CCCC1=O ZINC000647850136 419674145 /nfs/dbraw/zinc/67/41/45/419674145.db2.gz LTYJQXGNTWOOAV-UHFFFAOYSA-N 2 2 270.377 -0.604 20 0 CBADLP C[N@@H+](CCC[NH3+])CC(=O)NCCCN1CCCC1=O ZINC000647850136 419674151 /nfs/dbraw/zinc/67/41/51/419674151.db2.gz LTYJQXGNTWOOAV-UHFFFAOYSA-N 2 2 270.377 -0.604 20 0 CBADLP C[C@H]([NH3+])[C@H]1C[N@H+](Cc2ccn(C)c(=O)c2)CCO1 ZINC000647864428 419675641 /nfs/dbraw/zinc/67/56/41/419675641.db2.gz WFWGBCSOFHNNEN-CMPLNLGQSA-N 2 2 251.330 -0.067 20 0 CBADLP C[C@H]([NH3+])[C@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)CCO1 ZINC000647864428 419675647 /nfs/dbraw/zinc/67/56/47/419675647.db2.gz WFWGBCSOFHNNEN-CMPLNLGQSA-N 2 2 251.330 -0.067 20 0 CBADLP CC[C@@H]([NH2+]C)C(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000662669983 419678085 /nfs/dbraw/zinc/67/80/85/419678085.db2.gz BLWOEIDRQMDJPO-DGCLKSJQSA-N 2 2 296.415 -0.204 20 0 CBADLP C[NH+](C)C[C@@](C)(O)CNc1nc[nH+]c2c1OCCN2 ZINC000647874103 419680570 /nfs/dbraw/zinc/68/05/70/419680570.db2.gz SGPZRWSXLGRMKX-LBPRGKRZSA-N 2 2 267.333 0.005 20 0 CBADLP C[NH+](C)C[C@@](C)(O)CNc1[nH+]cnc2c1OCCN2 ZINC000647874103 419680574 /nfs/dbraw/zinc/68/05/74/419680574.db2.gz SGPZRWSXLGRMKX-LBPRGKRZSA-N 2 2 267.333 0.005 20 0 CBADLP C[N@H+]1CCN(C(=O)[C@H]2CCc3ncncc3C2)[C@@H](C[NH3+])C1 ZINC000647874197 419681541 /nfs/dbraw/zinc/68/15/41/419681541.db2.gz GUZYHLPWXAANBD-AAEUAGOBSA-N 2 2 289.383 -0.317 20 0 CBADLP CN(C)S(=O)(=O)N1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000647874707 419681958 /nfs/dbraw/zinc/68/19/58/419681958.db2.gz NWHAFGMKEQTJSX-NSHDSACASA-N 2 2 276.406 -0.980 20 0 CBADLP O=C(C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)N1CCNC(=O)C1 ZINC000647901705 419686745 /nfs/dbraw/zinc/68/67/45/419686745.db2.gz UEHVEJGEHBRAEM-OLZOCXBDSA-N 2 2 294.399 -0.591 20 0 CBADLP O=C(C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)N1CCNC(=O)C1 ZINC000647901705 419686764 /nfs/dbraw/zinc/68/67/64/419686764.db2.gz UEHVEJGEHBRAEM-OLZOCXBDSA-N 2 2 294.399 -0.591 20 0 CBADLP C[C@H](CNC(=O)[C@H]1CCO[C@@H]1C[NH3+])Cn1cc[nH+]c1 ZINC000662689316 419687293 /nfs/dbraw/zinc/68/72/93/419687293.db2.gz UINFPOCLUNBWQS-GRYCIOLGSA-N 2 2 266.345 -0.001 20 0 CBADLP CC(=O)N[C@H]1CCCN(C(=O)C[NH+]2CCC(C)([NH3+])CC2)C1 ZINC000647925438 419690117 /nfs/dbraw/zinc/69/01/17/419690117.db2.gz IKPRYZFDPCFSFF-ZDUSSCGKSA-N 2 2 296.415 -0.073 20 0 CBADLP CC[C@@H]1C[N@H+](CCNS(=O)(=O)CC)CC[C@@H]1[NH3+] ZINC000647937354 419690548 /nfs/dbraw/zinc/69/05/48/419690548.db2.gz WMEKSOONXCHAKN-MNOVXSKESA-N 2 2 263.407 -0.015 20 0 CBADLP CC[C@@H]1C[N@@H+](CCNS(=O)(=O)CC)CC[C@@H]1[NH3+] ZINC000647937354 419690557 /nfs/dbraw/zinc/69/05/57/419690557.db2.gz WMEKSOONXCHAKN-MNOVXSKESA-N 2 2 263.407 -0.015 20 0 CBADLP CC[C@@H]1C[N@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)CC[C@@H]1[NH3+] ZINC000647936542 419692309 /nfs/dbraw/zinc/69/23/09/419692309.db2.gz GXLJGTSWPGNWBE-TUAOUCFPSA-N 2 2 284.404 -0.362 20 0 CBADLP CC[C@@H]1C[N@@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)CC[C@@H]1[NH3+] ZINC000647936542 419692312 /nfs/dbraw/zinc/69/23/12/419692312.db2.gz GXLJGTSWPGNWBE-TUAOUCFPSA-N 2 2 284.404 -0.362 20 0 CBADLP [NH3+][C@@H]1CCC[C@@H](NC(=O)NCC[NH+]2CCOCC2)C1 ZINC000416431663 544591280 /nfs/dbraw/zinc/59/12/80/544591280.db2.gz CBFLSPDGKZTKIP-VXGBXAGGSA-N 2 2 270.377 -0.112 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCCC[C@@H]1C(=O)NC ZINC000647967048 419699169 /nfs/dbraw/zinc/69/91/69/419699169.db2.gz OBVGODQISQKQRE-VXGBXAGGSA-N 2 2 257.378 -0.101 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC[C@@H]1C(=O)NC ZINC000647967048 419699175 /nfs/dbraw/zinc/69/91/75/419699175.db2.gz OBVGODQISQKQRE-VXGBXAGGSA-N 2 2 257.378 -0.101 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCCC[C@@H]1C(=O)NC ZINC000647967048 419699183 /nfs/dbraw/zinc/69/91/83/419699183.db2.gz OBVGODQISQKQRE-VXGBXAGGSA-N 2 2 257.378 -0.101 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCCC[C@@H]1C(=O)NC ZINC000647967048 419699188 /nfs/dbraw/zinc/69/91/88/419699188.db2.gz OBVGODQISQKQRE-VXGBXAGGSA-N 2 2 257.378 -0.101 20 0 CBADLP C[C@H](NC(=O)[C@@H]1CCO[C@H]1C[NH3+])[C@H](C)[NH+]1CCOCC1 ZINC000662721311 419701219 /nfs/dbraw/zinc/70/12/19/419701219.db2.gz UCLKCWKFOYKAPH-RVMXOQNASA-N 2 2 285.388 -0.424 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000647973981 419702229 /nfs/dbraw/zinc/70/22/29/419702229.db2.gz OCYIPJRHQQXLPS-KBPBESRZSA-N 3 2 280.416 -0.166 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000647973981 419702235 /nfs/dbraw/zinc/70/22/35/419702235.db2.gz OCYIPJRHQQXLPS-KBPBESRZSA-N 3 2 280.416 -0.166 20 0 CBADLP C[C@@H](NC(=O)[C@H]1C[C@H]([NH3+])C1)[C@@H](C)[NH+]1CCOCC1 ZINC000662721295 419702813 /nfs/dbraw/zinc/70/28/13/419702813.db2.gz TUILYMIJDZVVAY-DDHJBXDOSA-N 2 2 255.362 -0.051 20 0 CBADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000662745431 419705733 /nfs/dbraw/zinc/70/57/33/419705733.db2.gz DPYWFLMOTMUMCA-MGCOHNPYSA-N 2 2 268.361 -0.868 20 0 CBADLP COCc1noc(CN2CC[NH+](C[C@@H]3CC[NH2+]C3)CC2)n1 ZINC000647989539 419705730 /nfs/dbraw/zinc/70/57/30/419705730.db2.gz BCCDFNZCFMECKA-GFCCVEGCSA-N 2 2 295.387 -0.057 20 0 CBADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C2(O)C[NH2+]C2)CC1 ZINC000662755177 419709586 /nfs/dbraw/zinc/70/95/86/419709586.db2.gz CIIGMKIDYKRICO-GFCCVEGCSA-N 2 2 290.367 -0.379 20 0 CBADLP C[C@H](CNC(=O)[C@H]1C[C@H]([NH3+])C1)[NH+]1CCN(C)CC1 ZINC000662755122 419710011 /nfs/dbraw/zinc/71/00/11/419710011.db2.gz DBRJGTZKWRALLR-IJLUTSLNSA-N 2 2 254.378 -0.524 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)C[NH2+]C[C@@H]2CCCO2)[C@H](C)CO1 ZINC000662632217 419657136 /nfs/dbraw/zinc/65/71/36/419657136.db2.gz YSOBTCBHZKNFNW-MCIONIFRSA-N 2 2 299.415 -0.020 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)C[NH2+]C[C@@H]2CCCO2)[C@H](C)CO1 ZINC000662632217 419657145 /nfs/dbraw/zinc/65/71/45/419657145.db2.gz YSOBTCBHZKNFNW-MCIONIFRSA-N 2 2 299.415 -0.020 20 0 CBADLP C[C@H]1[NH2+]CC[C@@H]1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000662632679 419657208 /nfs/dbraw/zinc/65/72/08/419657208.db2.gz SQYVUVDOSVAVSK-OLZOCXBDSA-N 3 2 270.421 -0.016 20 0 CBADLP C[C@H]1[NH2+]CC[C@@H]1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000662632679 419657212 /nfs/dbraw/zinc/65/72/12/419657212.db2.gz SQYVUVDOSVAVSK-OLZOCXBDSA-N 3 2 270.421 -0.016 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000662629933 419657282 /nfs/dbraw/zinc/65/72/82/419657282.db2.gz BJMQZRPTXJTJCL-HIFRSBDPSA-N 3 2 282.432 -0.014 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000662629933 419657288 /nfs/dbraw/zinc/65/72/88/419657288.db2.gz BJMQZRPTXJTJCL-HIFRSBDPSA-N 3 2 282.432 -0.014 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]2C[NH2+]CCO2)[C@@H](C)CO1 ZINC000662631160 419657492 /nfs/dbraw/zinc/65/74/92/419657492.db2.gz POJPWZNOUAVBRC-QJPTWQEYSA-N 2 2 271.361 -0.800 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2C[NH2+]CCO2)[C@@H](C)CO1 ZINC000662631160 419657499 /nfs/dbraw/zinc/65/74/99/419657499.db2.gz POJPWZNOUAVBRC-QJPTWQEYSA-N 2 2 271.361 -0.800 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cnc(N)cn1 ZINC000662634323 419657877 /nfs/dbraw/zinc/65/78/77/419657877.db2.gz RDNJAVWPGDQWFL-UHFFFAOYSA-N 2 2 280.376 -0.328 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cnc(N)cn1 ZINC000662634323 419657886 /nfs/dbraw/zinc/65/78/86/419657886.db2.gz RDNJAVWPGDQWFL-UHFFFAOYSA-N 2 2 280.376 -0.328 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)C[C@@H]2C[NH2+]CCO2)[C@H](C)CO1 ZINC000662632091 419658569 /nfs/dbraw/zinc/65/85/69/419658569.db2.gz XXVCQKINDSIYRJ-JHJVBQTASA-N 2 2 285.388 -0.410 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)C[C@@H]2C[NH2+]CCO2)[C@H](C)CO1 ZINC000662632091 419658577 /nfs/dbraw/zinc/65/85/77/419658577.db2.gz XXVCQKINDSIYRJ-JHJVBQTASA-N 2 2 285.388 -0.410 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)CCOC2C[NH2+]C2)[C@@H](C)CO1 ZINC000662633072 419659541 /nfs/dbraw/zinc/65/95/41/419659541.db2.gz JEMCQRNUNNEWKX-RYUDHWBXSA-N 2 2 285.388 -0.410 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)CCOC2C[NH2+]C2)[C@@H](C)CO1 ZINC000662633072 419659545 /nfs/dbraw/zinc/65/95/45/419659545.db2.gz JEMCQRNUNNEWKX-RYUDHWBXSA-N 2 2 285.388 -0.410 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)CCOC2C[NH2+]C2)[C@H](C)CO1 ZINC000662633073 419660683 /nfs/dbraw/zinc/66/06/83/419660683.db2.gz JEMCQRNUNNEWKX-VXGBXAGGSA-N 2 2 285.388 -0.410 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)CCOC2C[NH2+]C2)[C@H](C)CO1 ZINC000662633073 419660690 /nfs/dbraw/zinc/66/06/90/419660690.db2.gz JEMCQRNUNNEWKX-VXGBXAGGSA-N 2 2 285.388 -0.410 20 0 CBADLP Cn1cc[nH+]c1CN1CCN(C(=O)CC2([NH3+])CC2)CC1 ZINC000662789853 419726775 /nfs/dbraw/zinc/72/67/75/419726775.db2.gz DPCSGFPHJFBJIX-UHFFFAOYSA-N 2 2 277.372 -0.054 20 0 CBADLP C[C@H](C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1)[NH+]1CCN(C)CC1 ZINC000648124126 419740543 /nfs/dbraw/zinc/74/05/43/419740543.db2.gz RPJPYPBFNNYERT-MCIONIFRSA-N 2 2 280.416 -0.167 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000662836986 419744944 /nfs/dbraw/zinc/74/49/44/419744944.db2.gz FPYOJRCZZKAHBR-CHWSQXEVSA-N 2 2 294.399 -0.449 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000662836986 419744952 /nfs/dbraw/zinc/74/49/52/419744952.db2.gz FPYOJRCZZKAHBR-CHWSQXEVSA-N 2 2 294.399 -0.449 20 0 CBADLP O=C(NCc1ccc[nH+]c1N1CCCC1)C1(O)C[NH2+]C1 ZINC000662851223 419748930 /nfs/dbraw/zinc/74/89/30/419748930.db2.gz YTFBDACRGNLWJA-UHFFFAOYSA-N 2 2 276.340 -0.368 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CSC[NH2+]2)[C@@H](C)CO1 ZINC000662859275 419752514 /nfs/dbraw/zinc/75/25/14/419752514.db2.gz MGLNQCQXCQISAQ-AXFHLTTASA-N 2 2 273.402 -0.126 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2CSC[NH2+]2)[C@@H](C)CO1 ZINC000662859275 419752524 /nfs/dbraw/zinc/75/25/24/419752524.db2.gz MGLNQCQXCQISAQ-AXFHLTTASA-N 2 2 273.402 -0.126 20 0 CBADLP COC[C@]1(C(=O)NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)CCC[NH2+]1 ZINC000662858410 419753733 /nfs/dbraw/zinc/75/37/33/419753733.db2.gz GVTCOYRBUMXSGB-YDHLFZDLSA-N 2 2 299.415 -0.020 20 0 CBADLP COC[C@]1(C(=O)NCC[N@H+]2C[C@H](C)OC[C@@H]2C)CCC[NH2+]1 ZINC000662858410 419753741 /nfs/dbraw/zinc/75/37/41/419753741.db2.gz GVTCOYRBUMXSGB-YDHLFZDLSA-N 2 2 299.415 -0.020 20 0 CBADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662860695 419755483 /nfs/dbraw/zinc/75/54/83/419755483.db2.gz UFZCYJYYTLRNBL-WRWGMCAJSA-N 2 2 255.362 -0.051 20 0 CBADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662860695 419755490 /nfs/dbraw/zinc/75/54/90/419755490.db2.gz UFZCYJYYTLRNBL-WRWGMCAJSA-N 2 2 255.362 -0.051 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)COC2(C)C[NH2+]C2)[C@H](C)CO1 ZINC000662860687 419756264 /nfs/dbraw/zinc/75/62/64/419756264.db2.gz UEULEDDLOULOAY-VXGBXAGGSA-N 2 2 285.388 -0.410 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)COC2(C)C[NH2+]C2)[C@H](C)CO1 ZINC000662860687 419756275 /nfs/dbraw/zinc/75/62/75/419756275.db2.gz UEULEDDLOULOAY-VXGBXAGGSA-N 2 2 285.388 -0.410 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@@H](C)CC[NH+](C)C ZINC000346323702 419786971 /nfs/dbraw/zinc/78/69/71/419786971.db2.gz CMPYKZPBDHGGJU-LBPRGKRZSA-N 2 2 286.420 -0.101 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@@H](C)CC[NH+](C)C ZINC000346323702 419786979 /nfs/dbraw/zinc/78/69/79/419786979.db2.gz CMPYKZPBDHGGJU-LBPRGKRZSA-N 2 2 286.420 -0.101 20 0 CBADLP O=C([C@H]1CSC[NH2+]1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000662871354 419756609 /nfs/dbraw/zinc/75/66/09/419756609.db2.gz YQWIRSNQUDKWNG-GHMZBOCLSA-N 2 2 271.386 -0.418 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]2C[C@H]([NH3+])C2)[C@@H](C)CO1 ZINC000662860693 419757651 /nfs/dbraw/zinc/75/76/51/419757651.db2.gz UFZCYJYYTLRNBL-USZNOCQGSA-N 2 2 255.362 -0.051 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2C[C@H]([NH3+])C2)[C@@H](C)CO1 ZINC000662860693 419757657 /nfs/dbraw/zinc/75/76/57/419757657.db2.gz UFZCYJYYTLRNBL-USZNOCQGSA-N 2 2 255.362 -0.051 20 0 CBADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]([NH3+])CC)CC1 ZINC000648150327 419759495 /nfs/dbraw/zinc/75/94/95/419759495.db2.gz XFTPOFOOZXVYBB-NSHDSACASA-N 2 2 270.377 -0.606 20 0 CBADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]([NH3+])CC)CC1 ZINC000648150327 419759499 /nfs/dbraw/zinc/75/94/99/419759499.db2.gz XFTPOFOOZXVYBB-NSHDSACASA-N 2 2 270.377 -0.606 20 0 CBADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2[NH2+]CC2(C)C)CC1 ZINC000648150320 419760407 /nfs/dbraw/zinc/76/04/07/419760407.db2.gz VRZZWPAIDMLIID-ZDUSSCGKSA-N 2 2 296.415 -0.345 20 0 CBADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2[NH2+]CC2(C)C)CC1 ZINC000648150320 419760416 /nfs/dbraw/zinc/76/04/16/419760416.db2.gz VRZZWPAIDMLIID-ZDUSSCGKSA-N 2 2 296.415 -0.345 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000648180462 419771206 /nfs/dbraw/zinc/77/12/06/419771206.db2.gz CIAVDPJWDRHSDN-NSHDSACASA-N 2 2 280.372 -0.791 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC1 ZINC000662920402 419774532 /nfs/dbraw/zinc/77/45/32/419774532.db2.gz UJCIFQVJFRWCRE-GHMZBOCLSA-N 2 2 286.351 -0.952 20 0 CBADLP CN(CCC[NH3+])C(=O)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000662927004 419779347 /nfs/dbraw/zinc/77/93/47/419779347.db2.gz YLDSDKBRLONRGM-NSHDSACASA-N 2 2 293.371 -0.077 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1ccnc(OCCO)c1 ZINC000662933084 419782262 /nfs/dbraw/zinc/78/22/62/419782262.db2.gz CRKOLYMEMGRLMZ-LLVKDONJSA-N 2 2 282.344 -0.330 20 0 CBADLP C[C@@H](NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)c1[nH+]ccn1C ZINC000662932798 419782699 /nfs/dbraw/zinc/78/26/99/419782699.db2.gz GFTXFFUDUXBVKY-GHMZBOCLSA-N 2 2 293.371 -0.144 20 0 CBADLP C[C@@H](NC(=O)[C@]12C[NH2+]C[C@H]1COC2)c1[nH+]ccn1C ZINC000662934587 419784247 /nfs/dbraw/zinc/78/42/47/419784247.db2.gz OPTIPIBOTPGNRZ-NRUUGDAUSA-N 2 2 264.329 -0.167 20 0 CBADLP O=C(N1CC[NH+](CCO)CC1)C1([NH2+]C2CC2)CCC1 ZINC000662779485 419719632 /nfs/dbraw/zinc/71/96/32/419719632.db2.gz MGXGLEWEVUFHFL-UHFFFAOYSA-N 2 2 267.373 -0.202 20 0 CBADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000662787154 419723914 /nfs/dbraw/zinc/72/39/14/419723914.db2.gz GZNCXROJDBRFRZ-OLZOCXBDSA-N 2 2 296.415 -0.216 20 0 CBADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000662787154 419723922 /nfs/dbraw/zinc/72/39/22/419723922.db2.gz GZNCXROJDBRFRZ-OLZOCXBDSA-N 2 2 296.415 -0.216 20 0 CBADLP CN(Cc1c[nH+]c[nH]1)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000662973386 419800435 /nfs/dbraw/zinc/80/04/35/419800435.db2.gz WVXDSGMXONKJHC-CMPLNLGQSA-N 2 2 291.355 -0.422 20 0 CBADLP CN(Cc1c[nH]c[nH+]1)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000662973386 419800445 /nfs/dbraw/zinc/80/04/45/419800445.db2.gz WVXDSGMXONKJHC-CMPLNLGQSA-N 2 2 291.355 -0.422 20 0 CBADLP C[C@@]1(NC(=O)NCC[NH+]2CCOCC2)CC[NH2+]C1 ZINC000663222367 419830451 /nfs/dbraw/zinc/83/04/51/419830451.db2.gz VEBRFZZHTZNCPX-GFCCVEGCSA-N 2 2 256.350 -0.630 20 0 CBADLP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)CCn1cc[nH+]c1 ZINC000649075464 419836280 /nfs/dbraw/zinc/83/62/80/419836280.db2.gz DBGYJMMMNQKFOH-LBPRGKRZSA-N 2 2 293.371 -0.148 20 0 CBADLP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)CCc1c[nH+]c[nH]1 ZINC000649071795 419837173 /nfs/dbraw/zinc/83/71/73/419837173.db2.gz SAYXBHKLJOPJGL-NSHDSACASA-N 2 2 293.371 -0.079 20 0 CBADLP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)CCc1c[nH]c[nH+]1 ZINC000649071795 419837180 /nfs/dbraw/zinc/83/71/80/419837180.db2.gz SAYXBHKLJOPJGL-NSHDSACASA-N 2 2 293.371 -0.079 20 0 CBADLP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000353173024 419837250 /nfs/dbraw/zinc/83/72/50/419837250.db2.gz MBAKNAWIEYWJDD-QWRGUYRKSA-N 2 2 284.404 -0.232 20 0 CBADLP C[N@@H+]1CCN(Cc2nc3c(s2)C[NH2+]CC3)[C@H](C[NH3+])C1 ZINC000663493776 419841866 /nfs/dbraw/zinc/84/18/66/419841866.db2.gz JVPAHDZTASRULC-SNVBAGLBSA-N 3 2 281.429 -0.137 20 0 CBADLP C[N@H+]1CCN(Cc2nc3c(s2)C[NH2+]CC3)[C@H](C[NH3+])C1 ZINC000663493776 419841873 /nfs/dbraw/zinc/84/18/73/419841873.db2.gz JVPAHDZTASRULC-SNVBAGLBSA-N 3 2 281.429 -0.137 20 0 CBADLP C[C@@H]1[C@H](C(=O)N[C@H](CO)C[NH+]2CCOCC2)CC[N@@H+]1C ZINC000649219048 419852469 /nfs/dbraw/zinc/85/24/69/419852469.db2.gz IQTXKQGXLATKPR-FRRDWIJNSA-N 2 2 285.388 -0.864 20 0 CBADLP C[C@@H]1[C@H](C(=O)N[C@H](CO)C[NH+]2CCOCC2)CC[N@H+]1C ZINC000649219048 419852474 /nfs/dbraw/zinc/85/24/74/419852474.db2.gz IQTXKQGXLATKPR-FRRDWIJNSA-N 2 2 285.388 -0.864 20 0 CBADLP C[C@@H]1[C@H](C(=O)N[C@@H](CO)C[NH+]2CCOCC2)CC[N@@H+]1C ZINC000649219049 419852649 /nfs/dbraw/zinc/85/26/49/419852649.db2.gz IQTXKQGXLATKPR-JHJVBQTASA-N 2 2 285.388 -0.864 20 0 CBADLP C[C@@H]1[C@H](C(=O)N[C@@H](CO)C[NH+]2CCOCC2)CC[N@H+]1C ZINC000649219049 419852653 /nfs/dbraw/zinc/85/26/53/419852653.db2.gz IQTXKQGXLATKPR-JHJVBQTASA-N 2 2 285.388 -0.864 20 0 CBADLP O=C(NCC[NH+]1CCOCC1)[C@H]1C[NH2+]CCC1(F)F ZINC000649276391 419856364 /nfs/dbraw/zinc/85/63/64/419856364.db2.gz UBVROZPRFSWADM-SNVBAGLBSA-N 2 2 277.315 -0.320 20 0 CBADLP CN(Cc1c[nH+]c[nH]1)C(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000662947128 419790471 /nfs/dbraw/zinc/79/04/71/419790471.db2.gz LDQXIPBFUCBHGQ-NSHDSACASA-N 2 2 279.344 -0.292 20 0 CBADLP CN(Cc1c[nH]c[nH+]1)C(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000662947128 419790475 /nfs/dbraw/zinc/79/04/75/419790475.db2.gz LDQXIPBFUCBHGQ-NSHDSACASA-N 2 2 279.344 -0.292 20 0 CBADLP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000662953566 419791915 /nfs/dbraw/zinc/79/19/15/419791915.db2.gz MMHGBBGCKBIITO-GFCCVEGCSA-N 2 2 293.371 -0.031 20 0 CBADLP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000662953566 419791920 /nfs/dbraw/zinc/79/19/20/419791920.db2.gz MMHGBBGCKBIITO-GFCCVEGCSA-N 2 2 293.371 -0.031 20 0 CBADLP CN(Cc1c[nH+]c[nH]1)C(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000662951221 419793035 /nfs/dbraw/zinc/79/30/35/419793035.db2.gz JGXSSAWYEYJBCW-MNOVXSKESA-N 2 2 291.355 -0.279 20 0 CBADLP CN(Cc1c[nH]c[nH+]1)C(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000662951221 419793040 /nfs/dbraw/zinc/79/30/40/419793040.db2.gz JGXSSAWYEYJBCW-MNOVXSKESA-N 2 2 291.355 -0.279 20 0 CBADLP C[C@@H]1CN(C(=O)C(=O)N(C)Cc2c[nH+]c[nH]2)[C@H](C)C[NH2+]1 ZINC000662954173 419793074 /nfs/dbraw/zinc/79/30/74/419793074.db2.gz MGYZZBWSJZOCRU-NXEZZACHSA-N 2 2 279.344 -0.423 20 0 CBADLP C[C@@H]1CN(C(=O)C(=O)N(C)Cc2c[nH]c[nH+]2)[C@H](C)C[NH2+]1 ZINC000662954173 419793081 /nfs/dbraw/zinc/79/30/81/419793081.db2.gz MGYZZBWSJZOCRU-NXEZZACHSA-N 2 2 279.344 -0.423 20 0 CBADLP C[C@@H]1CCN(C(=O)C(=O)N(C)Cc2c[nH+]c[nH]2)C[C@H]1C[NH3+] ZINC000662961047 419795603 /nfs/dbraw/zinc/79/56/03/419795603.db2.gz RLRKXBNDDAYVSE-GHMZBOCLSA-N 2 2 293.371 -0.189 20 0 CBADLP C[C@@H]1CCN(C(=O)C(=O)N(C)Cc2c[nH]c[nH+]2)C[C@H]1C[NH3+] ZINC000662961047 419795609 /nfs/dbraw/zinc/79/56/09/419795609.db2.gz RLRKXBNDDAYVSE-GHMZBOCLSA-N 2 2 293.371 -0.189 20 0 CBADLP C[C@H]1CCN(C(=O)C(=O)N(C)Cc2c[nH+]c[nH]2)C[C@H]1C[NH3+] ZINC000662961054 419795888 /nfs/dbraw/zinc/79/58/88/419795888.db2.gz RLRKXBNDDAYVSE-WDEREUQCSA-N 2 2 293.371 -0.189 20 0 CBADLP C[C@H]1CCN(C(=O)C(=O)N(C)Cc2c[nH]c[nH+]2)C[C@H]1C[NH3+] ZINC000662961054 419795893 /nfs/dbraw/zinc/79/58/93/419795893.db2.gz RLRKXBNDDAYVSE-WDEREUQCSA-N 2 2 293.371 -0.189 20 0 CBADLP CC[C@@H](CO)[NH+]1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC000355281134 419866439 /nfs/dbraw/zinc/86/64/39/419866439.db2.gz GGNYAJSZUQIXDJ-KBPBESRZSA-N 2 2 299.415 -0.378 20 0 CBADLP CC[C@@H](CO)[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC000355281134 419866445 /nfs/dbraw/zinc/86/64/45/419866445.db2.gz GGNYAJSZUQIXDJ-KBPBESRZSA-N 2 2 299.415 -0.378 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)NC1CC1 ZINC000664332446 419897767 /nfs/dbraw/zinc/89/77/67/419897767.db2.gz YSKJEIDEONJWHB-UHFFFAOYSA-N 2 2 270.377 -0.735 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649320495 419882301 /nfs/dbraw/zinc/88/23/01/419882301.db2.gz FDPOIZPZCCCLTE-WYUUTHIRSA-N 2 2 253.346 -0.711 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649320495 419882307 /nfs/dbraw/zinc/88/23/07/419882307.db2.gz FDPOIZPZCCCLTE-WYUUTHIRSA-N 2 2 253.346 -0.711 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)NC1CC1 ZINC000664332446 419897773 /nfs/dbraw/zinc/89/77/73/419897773.db2.gz YSKJEIDEONJWHB-UHFFFAOYSA-N 2 2 270.377 -0.735 20 0 CBADLP C[C@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)[C@H](C)[NH+]1CCOCC1 ZINC000649323216 419886151 /nfs/dbraw/zinc/88/61/51/419886151.db2.gz NPUBAKIFIKVQCB-YYHQMBLXSA-N 2 2 267.373 -0.038 20 0 CBADLP C[NH2+]CCC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000357250580 419886330 /nfs/dbraw/zinc/88/63/30/419886330.db2.gz BKLDSHKQTQLSPL-UHFFFAOYSA-N 2 2 281.360 -0.237 20 0 CBADLP CN1CC[C@@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)C1=O ZINC000664193160 419887631 /nfs/dbraw/zinc/88/76/31/419887631.db2.gz RGVBMHFQBWSZNU-GFCCVEGCSA-N 2 2 299.419 -0.600 20 0 CBADLP CN1CC[C@@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)C1=O ZINC000664193160 419887638 /nfs/dbraw/zinc/88/76/38/419887638.db2.gz RGVBMHFQBWSZNU-GFCCVEGCSA-N 2 2 299.419 -0.600 20 0 CBADLP C[NH+]1CCN(CCNC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000665771166 544615185 /nfs/dbraw/zinc/61/51/85/544615185.db2.gz WMEWUXSPQRDEBN-CYBMUJFWSA-N 2 2 291.399 -0.191 20 0 CBADLP C[C@H](NC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1)c1[nH+]ccn1C ZINC000667246410 544657544 /nfs/dbraw/zinc/65/75/44/544657544.db2.gz HFGNKDLWTJIYLB-CMPLNLGQSA-N 2 2 293.371 -0.059 20 0 CBADLP C[C@H](NC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1)c1[nH+]ccn1C ZINC000667246410 544657550 /nfs/dbraw/zinc/65/75/50/544657550.db2.gz HFGNKDLWTJIYLB-CMPLNLGQSA-N 2 2 293.371 -0.059 20 0 CBADLP Cc1[nH+]cc(CN2CC[NH+](CC(=O)N(C)C)CC2)n1C ZINC000667484035 544663681 /nfs/dbraw/zinc/66/36/81/544663681.db2.gz ZWGUYSJQINHOEX-UHFFFAOYSA-N 2 2 279.388 -0.066 20 0 CBADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@@H]2CS(N)(=O)=O)n1C ZINC000667637566 544668839 /nfs/dbraw/zinc/66/88/39/544668839.db2.gz XWCONQNJEGRLSJ-SNVBAGLBSA-N 2 2 272.374 -0.019 20 0 CBADLP Cc1[nH+]cc(C[N@H+]2CCC[C@@H]2CS(N)(=O)=O)n1C ZINC000667637566 544668846 /nfs/dbraw/zinc/66/88/46/544668846.db2.gz XWCONQNJEGRLSJ-SNVBAGLBSA-N 2 2 272.374 -0.019 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000667813694 544673899 /nfs/dbraw/zinc/67/38/99/544673899.db2.gz WWVPDLLWZJQJKZ-QWHCGFSZSA-N 2 2 267.373 -0.083 20 0 CBADLP C[C@@H](C(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C)[NH+](C)C ZINC000668041772 544682787 /nfs/dbraw/zinc/68/27/87/544682787.db2.gz WLMLKSDHZMAMKA-WOPDTQHZSA-N 2 2 257.378 -0.150 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)[NH+]1CCN(C)CC1 ZINC000649351993 419903759 /nfs/dbraw/zinc/90/37/59/419903759.db2.gz CXAXWNUHYUFAGS-WUHRBBMRSA-N 2 2 266.389 -0.796 20 0 CBADLP Cn1cnc(CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)n1 ZINC000664563869 419907937 /nfs/dbraw/zinc/90/79/37/419907937.db2.gz YRROZBPQSUBUBS-UHFFFAOYSA-N 2 2 297.407 -0.502 20 0 CBADLP Cn1cnc(CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)n1 ZINC000664563869 419907942 /nfs/dbraw/zinc/90/79/42/419907942.db2.gz YRROZBPQSUBUBS-UHFFFAOYSA-N 2 2 297.407 -0.502 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@H]1CCOC1 ZINC000664512335 419908841 /nfs/dbraw/zinc/90/88/41/419908841.db2.gz AGFUIFBOCXDXIR-LBPRGKRZSA-N 2 2 272.393 -0.042 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@H]1CCOC1 ZINC000664512335 419908845 /nfs/dbraw/zinc/90/88/45/419908845.db2.gz AGFUIFBOCXDXIR-LBPRGKRZSA-N 2 2 272.393 -0.042 20 0 CBADLP Nc1nsc(N2CC[NH+](C[C@H]3CC[NH2+]C3)CC2)n1 ZINC000649414043 419910273 /nfs/dbraw/zinc/91/02/73/419910273.db2.gz CPZKFZDUUXKCMT-VIFPVBQESA-N 2 2 268.390 -0.148 20 0 CBADLP C[C@@H]([NH3+])CNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000668618285 544711365 /nfs/dbraw/zinc/71/13/65/544711365.db2.gz CFUYXGGZRKLWTR-SNVBAGLBSA-N 2 2 258.366 -0.256 20 0 CBADLP COc1cccc(CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])n1 ZINC000669430481 544749036 /nfs/dbraw/zinc/74/90/36/544749036.db2.gz GPOMMVMUYBXYJD-GFCCVEGCSA-N 2 2 293.371 -0.126 20 0 CBADLP COc1cccc(CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])n1 ZINC000669430481 544749038 /nfs/dbraw/zinc/74/90/38/544749038.db2.gz GPOMMVMUYBXYJD-GFCCVEGCSA-N 2 2 293.371 -0.126 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000669461665 544749917 /nfs/dbraw/zinc/74/99/17/544749917.db2.gz JYDNCTJBDAIVCX-UPJWGTAASA-N 2 2 282.388 -0.290 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000669461665 544749919 /nfs/dbraw/zinc/74/99/19/544749919.db2.gz JYDNCTJBDAIVCX-UPJWGTAASA-N 2 2 282.388 -0.290 20 0 CBADLP C[N@@H+]1CCN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)[C@H](C[NH3+])C1 ZINC000669512558 544751697 /nfs/dbraw/zinc/75/16/97/544751697.db2.gz AFKIIJIWRHTUBC-IJLUTSLNSA-N 3 2 254.378 -0.395 20 0 CBADLP C[N@H+]1CCN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)[C@H](C[NH3+])C1 ZINC000669512558 544751701 /nfs/dbraw/zinc/75/17/01/544751701.db2.gz AFKIIJIWRHTUBC-IJLUTSLNSA-N 3 2 254.378 -0.395 20 0 CBADLP C[N@@H+]1CCN(C(=O)NC[C@]2(C)CCCO2)[C@H](C[NH3+])C1 ZINC000669525207 544752679 /nfs/dbraw/zinc/75/26/79/544752679.db2.gz LSMWRHRHNQHLKO-YPMHNXCESA-N 2 2 270.377 -0.160 20 0 CBADLP C[N@H+]1CCN(C(=O)NC[C@]2(C)CCCO2)[C@H](C[NH3+])C1 ZINC000669525207 544752680 /nfs/dbraw/zinc/75/26/80/544752680.db2.gz LSMWRHRHNQHLKO-YPMHNXCESA-N 2 2 270.377 -0.160 20 0 CBADLP C[N@@H+]1CCN(C(=O)NCCCOC(F)F)[C@H](C[NH3+])C1 ZINC000669581552 544753533 /nfs/dbraw/zinc/75/35/33/544753533.db2.gz DTTIWTTYSPSFQT-SECBINFHSA-N 2 2 280.319 -0.100 20 0 CBADLP C[N@H+]1CCN(C(=O)NCCCOC(F)F)[C@H](C[NH3+])C1 ZINC000669581552 544753540 /nfs/dbraw/zinc/75/35/40/544753540.db2.gz DTTIWTTYSPSFQT-SECBINFHSA-N 2 2 280.319 -0.100 20 0 CBADLP O=C(NCCCn1cc[nH+]c1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000649498391 419917652 /nfs/dbraw/zinc/91/76/52/419917652.db2.gz IWLRBAFWVVMWDK-CYBMUJFWSA-N 2 2 293.371 -0.266 20 0 CBADLP O=C(NCCCn1cc[nH+]c1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000649498391 419917655 /nfs/dbraw/zinc/91/76/55/419917655.db2.gz IWLRBAFWVVMWDK-CYBMUJFWSA-N 2 2 293.371 -0.266 20 0 CBADLP CCOC(=O)[C@H](C)[C@H](C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000358792509 419919303 /nfs/dbraw/zinc/91/93/03/419919303.db2.gz QZQMEQQBGFSFQF-NEPJUHHUSA-N 2 2 285.388 -0.062 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000671153109 544805477 /nfs/dbraw/zinc/80/54/77/544805477.db2.gz HUDLVHMJCONRCL-VXGBXAGGSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000671153109 544805482 /nfs/dbraw/zinc/80/54/82/544805482.db2.gz HUDLVHMJCONRCL-VXGBXAGGSA-N 2 2 293.371 -0.402 20 0 CBADLP COCCOCC[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649685669 419924676 /nfs/dbraw/zinc/92/46/76/419924676.db2.gz IIRMDHUMZMCPJB-UHFFFAOYSA-N 2 2 273.377 -0.645 20 0 CBADLP COCCOCC[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649685669 419924679 /nfs/dbraw/zinc/92/46/79/419924679.db2.gz IIRMDHUMZMCPJB-UHFFFAOYSA-N 2 2 273.377 -0.645 20 0 CBADLP C[NH+](C)CCN1CCN(CCn2cc[nH+]c2)CC1=O ZINC000649685491 419926553 /nfs/dbraw/zinc/92/65/53/419926553.db2.gz ATSNCJSLSSHMEO-UHFFFAOYSA-N 2 2 265.361 -0.411 20 0 CBADLP C[NH+](C)CCN1CC[N@H+](CCn2cc[nH+]c2)CC1=O ZINC000649685491 419926561 /nfs/dbraw/zinc/92/65/61/419926561.db2.gz ATSNCJSLSSHMEO-UHFFFAOYSA-N 3 2 265.361 -0.411 20 0 CBADLP C[NH+](C)CCN1CC[N@@H+](CCn2cc[nH+]c2)CC1=O ZINC000649685491 419926567 /nfs/dbraw/zinc/92/65/67/419926567.db2.gz ATSNCJSLSSHMEO-UHFFFAOYSA-N 3 2 265.361 -0.411 20 0 CBADLP Cn1c[nH+]cc1CC[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649685117 419927097 /nfs/dbraw/zinc/92/70/97/419927097.db2.gz OTEAXLUJDCXWET-UHFFFAOYSA-N 3 2 279.388 -0.332 20 0 CBADLP Cn1c[nH+]cc1CC[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649685117 419927099 /nfs/dbraw/zinc/92/70/99/419927099.db2.gz OTEAXLUJDCXWET-UHFFFAOYSA-N 3 2 279.388 -0.332 20 0 CBADLP Cn1c[nH+]cc1CN1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649687064 419927191 /nfs/dbraw/zinc/92/71/91/419927191.db2.gz HHMGWCZCTWIALQ-UHFFFAOYSA-N 2 2 265.361 -0.374 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@H]1C[C@@H](C(N)=O)C1 ZINC000665224451 419935539 /nfs/dbraw/zinc/93/55/39/419935539.db2.gz RTUVHPBOQDKIAO-TXEJJXNPSA-N 2 2 299.419 -0.567 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@H]1C[C@@H](C(N)=O)C1 ZINC000665224451 419935546 /nfs/dbraw/zinc/93/55/46/419935546.db2.gz RTUVHPBOQDKIAO-TXEJJXNPSA-N 2 2 299.419 -0.567 20 0 CBADLP O=C1CC[C@@H](C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)N1 ZINC000665272717 419937685 /nfs/dbraw/zinc/93/76/85/419937685.db2.gz JRJUEALHVABCBJ-GMXVVIOVSA-N 2 2 253.346 -0.378 20 0 CBADLP C[C@H](C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)S(C)(=O)=O ZINC000665299990 419938484 /nfs/dbraw/zinc/93/84/84/419938484.db2.gz VXOSXZLKZXXUGM-ADEWGFFLSA-N 2 2 276.402 -0.224 20 0 CBADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000359306550 419957126 /nfs/dbraw/zinc/95/71/26/419957126.db2.gz MMXWEXRUDFFRBD-BETUJISGSA-N 3 2 280.416 -0.262 20 0 CBADLP O=C(C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)NC1CC[NH+](C2CC2)CC1 ZINC000359299590 419957308 /nfs/dbraw/zinc/95/73/08/419957308.db2.gz GMGQQCLRNDUXJW-CHWSQXEVSA-N 3 2 292.427 -0.119 20 0 CBADLP CN(C)S(=O)(=O)CCC[N@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000359906104 419995398 /nfs/dbraw/zinc/99/53/98/419995398.db2.gz FBUVMZNYCRBTKO-NSHDSACASA-N 2 2 263.407 -0.063 20 0 CBADLP CN(C)S(=O)(=O)CCC[N@@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000359906104 419995401 /nfs/dbraw/zinc/99/54/01/419995401.db2.gz FBUVMZNYCRBTKO-NSHDSACASA-N 2 2 263.407 -0.063 20 0 CBADLP CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359315268 419959369 /nfs/dbraw/zinc/95/93/69/419959369.db2.gz WBTABDQQYKQOGG-GARJFASQSA-N 2 2 268.361 -0.240 20 0 CBADLP CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359315268 419959376 /nfs/dbraw/zinc/95/93/76/419959376.db2.gz WBTABDQQYKQOGG-GARJFASQSA-N 2 2 268.361 -0.240 20 0 CBADLP C[C@H](C(=O)N1C[C@@H]2C[NH2+]C[C@H]2C1)[NH+]1CCOCC1 ZINC000359427877 419963977 /nfs/dbraw/zinc/96/39/77/419963977.db2.gz GQFUPLXHRSPICK-WOPDTQHZSA-N 2 2 253.346 -0.615 20 0 CBADLP C[C@H]1CCC[N@H+](Cc2cn(CC(N)=O)nn2)[C@@H]1CC[NH3+] ZINC000650711879 419965373 /nfs/dbraw/zinc/96/53/73/419965373.db2.gz HEMSEZNGYSHLES-CMPLNLGQSA-N 2 2 280.376 -0.287 20 0 CBADLP C[C@H]1CCC[N@@H+](Cc2cn(CC(N)=O)nn2)[C@@H]1CC[NH3+] ZINC000650711879 419965379 /nfs/dbraw/zinc/96/53/79/419965379.db2.gz HEMSEZNGYSHLES-CMPLNLGQSA-N 2 2 280.376 -0.287 20 0 CBADLP COCC[NH+]1CCC([NH2+][C@H](C)C(=O)N2CCNC2=O)CC1 ZINC000359952943 419997760 /nfs/dbraw/zinc/99/77/60/419997760.db2.gz RNDZQMLNDKZWNH-LLVKDONJSA-N 2 2 298.387 -0.373 20 0 CBADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@H]1CSC[NH2+]1 ZINC000360172897 420007892 /nfs/dbraw/zinc/00/78/92/420007892.db2.gz ZHWYHDNBIWLMQI-WDEREUQCSA-N 2 2 272.418 -0.599 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CSC[NH2+]1 ZINC000360203993 420009483 /nfs/dbraw/zinc/00/94/83/420009483.db2.gz JNWVKQQVIDRLIV-NXEZZACHSA-N 2 2 259.375 -0.514 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1CSC[NH2+]1 ZINC000360203993 420009486 /nfs/dbraw/zinc/00/94/86/420009486.db2.gz JNWVKQQVIDRLIV-NXEZZACHSA-N 2 2 259.375 -0.514 20 0 CBADLP C[NH+](C)C[C@](C)(O)CNC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000360488924 420017132 /nfs/dbraw/zinc/01/71/32/420017132.db2.gz FHBBXTQZIKVRRB-IINYFYTJSA-N 2 2 295.387 -0.121 20 0 CBADLP C[NH+](C)C[C@](C)(O)CNC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000360488924 420017134 /nfs/dbraw/zinc/01/71/34/420017134.db2.gz FHBBXTQZIKVRRB-IINYFYTJSA-N 2 2 295.387 -0.121 20 0 CBADLP CN(C)c1nc(NC[C@@](C)(O)C[NH+]2CCOCC2)cc[nH+]1 ZINC000361100609 420019983 /nfs/dbraw/zinc/01/99/83/420019983.db2.gz YTJZZJWSXPLOQJ-CQSZACIVSA-N 2 2 295.387 0.038 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+]1CCN(C[C@H]2C[NH+](C)CCO2)C[C@H]1C ZINC000361754940 420021926 /nfs/dbraw/zinc/02/19/26/420021926.db2.gz IVSWGSOENNJZMN-MGPQQGTHSA-N 2 2 298.431 -0.413 20 0 CBADLP CC[C@H](C(N)=O)[N@H+]1CCN(C[C@H]2C[NH+](C)CCO2)C[C@H]1C ZINC000361754940 420021930 /nfs/dbraw/zinc/02/19/30/420021930.db2.gz IVSWGSOENNJZMN-MGPQQGTHSA-N 2 2 298.431 -0.413 20 0 CBADLP CC[C@H](C(N)=O)[NH+]1CCN(C[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC000361754940 420021934 /nfs/dbraw/zinc/02/19/34/420021934.db2.gz IVSWGSOENNJZMN-MGPQQGTHSA-N 2 2 298.431 -0.413 20 0 CBADLP CC[C@H](C(N)=O)[NH+]1CCN(C[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC000361754940 420021937 /nfs/dbraw/zinc/02/19/37/420021937.db2.gz IVSWGSOENNJZMN-MGPQQGTHSA-N 2 2 298.431 -0.413 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@](O)(C3CC3)C2)CC1 ZINC000365836451 420069017 /nfs/dbraw/zinc/06/90/17/420069017.db2.gz IIVSMOBISQECCQ-AWEZNQCLSA-N 2 2 267.373 -0.393 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@](O)(C3CC3)C2)CC1 ZINC000365836451 420069020 /nfs/dbraw/zinc/06/90/20/420069020.db2.gz IIVSMOBISQECCQ-AWEZNQCLSA-N 2 2 267.373 -0.393 20 0 CBADLP CN(C(=O)C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)C1CC1 ZINC000362824681 420027850 /nfs/dbraw/zinc/02/78/50/420027850.db2.gz AYIVIGHIKRSUKK-ZDUSSCGKSA-N 2 2 294.399 -0.497 20 0 CBADLP CN(C(=O)C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)C1CC1 ZINC000362824681 420027855 /nfs/dbraw/zinc/02/78/55/420027855.db2.gz AYIVIGHIKRSUKK-ZDUSSCGKSA-N 2 2 294.399 -0.497 20 0 CBADLP CC(C)NC(=O)C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362827749 420027992 /nfs/dbraw/zinc/02/79/92/420027992.db2.gz VFLCCDMMJCCBHK-GFCCVEGCSA-N 2 2 282.388 -0.593 20 0 CBADLP CC(C)NC(=O)C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362827749 420027998 /nfs/dbraw/zinc/02/79/98/420027998.db2.gz VFLCCDMMJCCBHK-GFCCVEGCSA-N 2 2 282.388 -0.593 20 0 CBADLP CC(C)C[N@H+](C)CCC[NH2+]Cc1cn(CC(N)=O)nn1 ZINC000651864780 420040830 /nfs/dbraw/zinc/04/08/30/420040830.db2.gz DLKIBDAQUPOIJU-UHFFFAOYSA-N 2 2 282.392 -0.169 20 0 CBADLP CC(C)C[N@@H+](C)CCC[NH2+]Cc1cn(CC(N)=O)nn1 ZINC000651864780 420040835 /nfs/dbraw/zinc/04/08/35/420040835.db2.gz DLKIBDAQUPOIJU-UHFFFAOYSA-N 2 2 282.392 -0.169 20 0 CBADLP C[N@@H+]1CCN(C(=O)NCCC2CC[NH2+]CC2)[C@@H](C[NH3+])C1 ZINC000652323635 420057714 /nfs/dbraw/zinc/05/77/14/420057714.db2.gz MCYJDKUYFYLDIK-ZDUSSCGKSA-N 3 2 283.420 -0.340 20 0 CBADLP C[N@H+]1CCN(C(=O)NCCC2CC[NH2+]CC2)[C@@H](C[NH3+])C1 ZINC000652323635 420057717 /nfs/dbraw/zinc/05/77/17/420057717.db2.gz MCYJDKUYFYLDIK-ZDUSSCGKSA-N 3 2 283.420 -0.340 20 0 CBADLP C[N@@H+]1CCN(C(=O)NCCC2CC[NH2+]CC2)[C@H](C[NH3+])C1 ZINC000652323634 420057755 /nfs/dbraw/zinc/05/77/55/420057755.db2.gz MCYJDKUYFYLDIK-CYBMUJFWSA-N 3 2 283.420 -0.340 20 0 CBADLP C[N@H+]1CCN(C(=O)NCCC2CC[NH2+]CC2)[C@H](C[NH3+])C1 ZINC000652323634 420057758 /nfs/dbraw/zinc/05/77/58/420057758.db2.gz MCYJDKUYFYLDIK-CYBMUJFWSA-N 3 2 283.420 -0.340 20 0 CBADLP CCO[C@@H]1C[N@H+](C[C@H](C)CS(C)(=O)=O)C[C@H]1C[NH3+] ZINC000652356706 420059651 /nfs/dbraw/zinc/05/96/51/420059651.db2.gz AKSXFLWUDUXUJP-QJPTWQEYSA-N 2 2 278.418 -0.037 20 0 CBADLP CCO[C@@H]1C[N@@H+](C[C@H](C)CS(C)(=O)=O)C[C@H]1C[NH3+] ZINC000652356706 420059656 /nfs/dbraw/zinc/05/96/56/420059656.db2.gz AKSXFLWUDUXUJP-QJPTWQEYSA-N 2 2 278.418 -0.037 20 0 CBADLP COC(=O)[C@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)C[NH2+]1 ZINC000365671746 420067312 /nfs/dbraw/zinc/06/73/12/420067312.db2.gz FOXJASYAAWOOEY-IEECTRCBSA-N 2 2 295.383 -0.073 20 0 CBADLP CC(C)(C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1)[NH+]1CCOCC1 ZINC000652892973 420095608 /nfs/dbraw/zinc/09/56/08/420095608.db2.gz RPOOKEZSRVCJAV-CYBMUJFWSA-N 2 2 297.399 -0.625 20 0 CBADLP CC(C)(C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1)[NH+]1CCOCC1 ZINC000652892973 420095611 /nfs/dbraw/zinc/09/56/11/420095611.db2.gz RPOOKEZSRVCJAV-CYBMUJFWSA-N 2 2 297.399 -0.625 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000367052284 420097785 /nfs/dbraw/zinc/09/77/85/420097785.db2.gz JRTISITWJGDVFP-CQSZACIVSA-N 2 2 296.415 -0.833 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000367052284 420097787 /nfs/dbraw/zinc/09/77/87/420097787.db2.gz JRTISITWJGDVFP-CQSZACIVSA-N 2 2 296.415 -0.833 20 0 CBADLP C[C@@H](O)C[NH+]1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC000672868635 544861851 /nfs/dbraw/zinc/86/18/51/544861851.db2.gz QTFPZEDOTBNQCS-LLVKDONJSA-N 2 2 266.345 -0.512 20 0 CBADLP C[C@@H](CC(=O)N[C@H](CO)CN1CCOCC1)n1cc[nH+]c1 ZINC000653028704 420106875 /nfs/dbraw/zinc/10/68/75/420106875.db2.gz GPHVTBIPHIUJSX-STQMWFEESA-N 2 2 296.371 -0.357 20 0 CBADLP C[C@@H](CC(=O)N[C@H](CO)C[NH+]1CCOCC1)n1cc[nH+]c1 ZINC000653028704 420106878 /nfs/dbraw/zinc/10/68/78/420106878.db2.gz GPHVTBIPHIUJSX-STQMWFEESA-N 2 2 296.371 -0.357 20 0 CBADLP C[C@H](CC(=O)N[C@@H](CO)CN1CCOCC1)n1cc[nH+]c1 ZINC000653028701 420107271 /nfs/dbraw/zinc/10/72/71/420107271.db2.gz GPHVTBIPHIUJSX-CHWSQXEVSA-N 2 2 296.371 -0.357 20 0 CBADLP C[C@H](CC(=O)N[C@@H](CO)C[NH+]1CCOCC1)n1cc[nH+]c1 ZINC000653028701 420107274 /nfs/dbraw/zinc/10/72/74/420107274.db2.gz GPHVTBIPHIUJSX-CHWSQXEVSA-N 2 2 296.371 -0.357 20 0 CBADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000653040862 420108404 /nfs/dbraw/zinc/10/84/04/420108404.db2.gz SDSDBFQPDKXXSW-SMDDNHRTSA-N 2 2 290.367 -0.277 20 0 CBADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000653040862 420108408 /nfs/dbraw/zinc/10/84/08/420108408.db2.gz SDSDBFQPDKXXSW-SMDDNHRTSA-N 2 2 290.367 -0.277 20 0 CBADLP CNS(=O)(=O)[C@H]1CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000367593575 420110471 /nfs/dbraw/zinc/11/04/71/420110471.db2.gz LADINCPYVQYENY-NSHDSACASA-N 2 2 272.374 -0.103 20 0 CBADLP CNS(=O)(=O)[C@H]1CC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000367593575 420110475 /nfs/dbraw/zinc/11/04/75/420110475.db2.gz LADINCPYVQYENY-NSHDSACASA-N 2 2 272.374 -0.103 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)[NH+]1CCCC1 ZINC000653347593 420142318 /nfs/dbraw/zinc/14/23/18/420142318.db2.gz HBQGAHWQCNVBPF-RYUDHWBXSA-N 3 2 256.394 -0.134 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCCCOC[C@@H]1CCCO1 ZINC000653061881 420112107 /nfs/dbraw/zinc/11/21/07/420112107.db2.gz DBPORFABOKOPKN-QWHCGFSZSA-N 2 2 287.404 -0.033 20 0 CBADLP CN(Cc1nnnn1C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000367661695 420112703 /nfs/dbraw/zinc/11/27/03/420112703.db2.gz SQRDZTMMCFFXME-CYBMUJFWSA-N 2 2 293.419 -0.190 20 0 CBADLP CN(Cc1nnnn1C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000367661695 420112705 /nfs/dbraw/zinc/11/27/05/420112705.db2.gz SQRDZTMMCFFXME-CYBMUJFWSA-N 2 2 293.419 -0.190 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000653082186 420114230 /nfs/dbraw/zinc/11/42/30/420114230.db2.gz LYSLGMRSZNZFRJ-SRVKXCTJSA-N 2 2 282.388 -0.465 20 0 CBADLP CC(C)N1C[C@@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)CC1=O ZINC000653084798 420115081 /nfs/dbraw/zinc/11/50/81/420115081.db2.gz SHEOVZODXZMFOC-QWRGUYRKSA-N 2 2 270.377 -0.609 20 0 CBADLP COC(=O)CNC(=O)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000367847617 420117743 /nfs/dbraw/zinc/11/77/43/420117743.db2.gz QSSAHKPYECGQBK-ZDUSSCGKSA-N 2 2 269.345 -0.697 20 0 CBADLP COC(=O)CNC(=O)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000367847617 420117746 /nfs/dbraw/zinc/11/77/46/420117746.db2.gz QSSAHKPYECGQBK-ZDUSSCGKSA-N 2 2 269.345 -0.697 20 0 CBADLP COC(=O)CNC(=O)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000367847617 420117752 /nfs/dbraw/zinc/11/77/52/420117752.db2.gz QSSAHKPYECGQBK-ZDUSSCGKSA-N 2 2 269.345 -0.697 20 0 CBADLP COC(=O)CNC(=O)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000367847617 420117754 /nfs/dbraw/zinc/11/77/54/420117754.db2.gz QSSAHKPYECGQBK-ZDUSSCGKSA-N 2 2 269.345 -0.697 20 0 CBADLP CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000653117130 420118833 /nfs/dbraw/zinc/11/88/33/420118833.db2.gz AMXHAPOYZXQDAN-OLZOCXBDSA-N 3 2 268.405 -0.040 20 0 CBADLP CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000653117130 420118839 /nfs/dbraw/zinc/11/88/39/420118839.db2.gz AMXHAPOYZXQDAN-OLZOCXBDSA-N 3 2 268.405 -0.040 20 0 CBADLP CN(CCn1cccn1)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653119715 420119596 /nfs/dbraw/zinc/11/95/96/420119596.db2.gz TZPMJUUKTGDOAY-NSHDSACASA-N 2 2 253.350 -0.380 20 0 CBADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@H]2CCC[NH2+]CC2)CC1 ZINC000653121915 420120124 /nfs/dbraw/zinc/12/01/24/420120124.db2.gz GLSGAUSVCHLONH-LBPRGKRZSA-N 2 2 296.415 -0.216 20 0 CBADLP C[C@H]1CC[N@H+](CCNC(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000653121983 420120448 /nfs/dbraw/zinc/12/04/48/420120448.db2.gz HYTOAUBXCLZZLJ-RYUDHWBXSA-N 3 2 256.394 -0.277 20 0 CBADLP C[C@H]1CC[N@@H+](CCNC(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000653121983 420120450 /nfs/dbraw/zinc/12/04/50/420120450.db2.gz HYTOAUBXCLZZLJ-RYUDHWBXSA-N 3 2 256.394 -0.277 20 0 CBADLP Cc1[nH+]c[nH]c1CNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653124134 420120711 /nfs/dbraw/zinc/12/07/11/420120711.db2.gz ROSUVFQETQZONI-CABZTGNLSA-N 2 2 250.302 -0.430 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCOC[C@H]1C1CC1 ZINC000653151908 420122887 /nfs/dbraw/zinc/12/28/87/420122887.db2.gz XFXXWROPJQNPPD-RYUDHWBXSA-N 2 2 255.362 -0.097 20 0 CBADLP C[C@@H]1CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)[C@H](C(N)=O)C1 ZINC000653151935 420122991 /nfs/dbraw/zinc/12/29/91/420122991.db2.gz YAQGDEYTRZHLFF-VWYCJHECSA-N 2 2 270.377 -0.622 20 0 CBADLP C[C@@H]1CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)[C@@H](C(N)=O)C1 ZINC000653151934 420123287 /nfs/dbraw/zinc/12/32/87/420123287.db2.gz YAQGDEYTRZHLFF-OUAUKWLOSA-N 2 2 270.377 -0.622 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000653168699 420126175 /nfs/dbraw/zinc/12/61/75/420126175.db2.gz NBRAAWZFZMCJSW-LXVYMNJGSA-N 3 2 268.405 -0.005 20 0 CBADLP COCCOCC[NH+]1CCN(C(=O)C[C@@H]2CCC[NH2+]2)CC1 ZINC000653276152 420133559 /nfs/dbraw/zinc/13/35/59/420133559.db2.gz WRBJBAYMUOOQCN-AWEZNQCLSA-N 2 2 299.415 -0.064 20 0 CBADLP COCCOCC[NH+]1CCN(C(=O)C[C@H]2CC[NH2+]C2)CC1 ZINC000653275508 420133927 /nfs/dbraw/zinc/13/39/27/420133927.db2.gz HHFOKLDBBGGAAQ-CQSZACIVSA-N 2 2 299.415 -0.207 20 0 CBADLP COCCOCC[NH+]1CCN(C(=O)[C@H](C)[C@H](C)[NH3+])CC1 ZINC000653275692 420134182 /nfs/dbraw/zinc/13/41/82/420134182.db2.gz LNXFXUVNZVUURI-OLZOCXBDSA-N 2 2 287.404 -0.223 20 0 CBADLP C[NH+](C)CCN1C(=O)C[C@@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)C1=O ZINC000653285116 420138489 /nfs/dbraw/zinc/13/84/89/420138489.db2.gz DFNKTIYDEQQAKA-QWHCGFSZSA-N 3 2 296.415 -0.393 20 0 CBADLP C[NH+](C)CCN1C(=O)C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)C1=O ZINC000653285116 420138494 /nfs/dbraw/zinc/13/84/94/420138494.db2.gz DFNKTIYDEQQAKA-QWHCGFSZSA-N 3 2 296.415 -0.393 20 0 CBADLP C[NH+]1CCC(CC(=O)NC[C@@H]2C[NH+]3CCN2CC3)CC1 ZINC000365887829 420071325 /nfs/dbraw/zinc/07/13/25/420071325.db2.gz UPSHLBJGMJPQMV-CQSZACIVSA-N 2 2 280.416 -0.166 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000652725042 420077757 /nfs/dbraw/zinc/07/77/57/420077757.db2.gz VQOFKAOYJWGWMJ-UHFFFAOYSA-N 2 2 296.415 -0.344 20 0 CBADLP COCC[C@@]1(C(=O)N[C@H](C)C[NH+]2CCOCC2)CC[NH2+]C1 ZINC000370762908 420185877 /nfs/dbraw/zinc/18/58/77/420185877.db2.gz COBQRNUWDJTDHL-HIFRSBDPSA-N 2 2 299.415 -0.161 20 0 CBADLP CC[NH2+]CCNC(=O)c1cnn(CC[NH+]2CCOCC2)c1 ZINC000370788610 420186528 /nfs/dbraw/zinc/18/65/28/420186528.db2.gz RWTOCUGGKZDFKU-UHFFFAOYSA-N 2 2 295.387 -0.445 20 0 CBADLP CC(C)[C@H]([NH3+])C(=O)NC[C@@]1([NH+]2CCOCC2)CCCOC1 ZINC000370775688 420187206 /nfs/dbraw/zinc/18/72/06/420187206.db2.gz XKWLDWSBWWXLHD-ZFWWWQNUSA-N 2 2 299.415 -0.033 20 0 CBADLP C[NH+]1CCc2ncnc(NC[C@@H]3C[N@H+](C)CCO3)c2C1 ZINC000377490822 420197013 /nfs/dbraw/zinc/19/70/13/420197013.db2.gz XSHHJJLBMWJCFQ-LLVKDONJSA-N 2 2 277.372 0.207 20 0 CBADLP C[NH+]1CCc2ncnc(NC[C@@H]3C[N@@H+](C)CCO3)c2C1 ZINC000377490822 420197017 /nfs/dbraw/zinc/19/70/17/420197017.db2.gz XSHHJJLBMWJCFQ-LLVKDONJSA-N 2 2 277.372 0.207 20 0 CBADLP C[NH+]1CCO[C@H](CNc2ncnc3c2C[N@H+](C)CC3)C1 ZINC000377490822 420197020 /nfs/dbraw/zinc/19/70/20/420197020.db2.gz XSHHJJLBMWJCFQ-LLVKDONJSA-N 2 2 277.372 0.207 20 0 CBADLP C[NH+]1CCO[C@H](CNc2ncnc3c2C[N@@H+](C)CC3)C1 ZINC000377490822 420197027 /nfs/dbraw/zinc/19/70/27/420197027.db2.gz XSHHJJLBMWJCFQ-LLVKDONJSA-N 2 2 277.372 0.207 20 0 CBADLP C[NH+]1CCc2ncnc(NC[C@H]3C[N@H+](C)CCO3)c2C1 ZINC000377490823 420197265 /nfs/dbraw/zinc/19/72/65/420197265.db2.gz XSHHJJLBMWJCFQ-NSHDSACASA-N 2 2 277.372 0.207 20 0 CBADLP C[NH+]1CCc2ncnc(NC[C@H]3C[N@@H+](C)CCO3)c2C1 ZINC000377490823 420197268 /nfs/dbraw/zinc/19/72/68/420197268.db2.gz XSHHJJLBMWJCFQ-NSHDSACASA-N 2 2 277.372 0.207 20 0 CBADLP C[NH+]1CCO[C@@H](CNc2ncnc3c2C[N@H+](C)CC3)C1 ZINC000377490823 420197270 /nfs/dbraw/zinc/19/72/70/420197270.db2.gz XSHHJJLBMWJCFQ-NSHDSACASA-N 2 2 277.372 0.207 20 0 CBADLP C[NH+]1CCO[C@@H](CNc2ncnc3c2C[N@@H+](C)CC3)C1 ZINC000377490823 420197274 /nfs/dbraw/zinc/19/72/74/420197274.db2.gz XSHHJJLBMWJCFQ-NSHDSACASA-N 2 2 277.372 0.207 20 0 CBADLP C[C@H](CC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)NC(N)=O ZINC000654857193 420198038 /nfs/dbraw/zinc/19/80/38/420198038.db2.gz HFUAROPYCKGREZ-LLVKDONJSA-N 2 2 299.419 -0.425 20 0 CBADLP CC(C)(CNC(=O)C1(C)C[NH2+]C1)[NH+]1CCOCC1 ZINC000399314068 420216946 /nfs/dbraw/zinc/21/69/46/420216946.db2.gz SDUHYTIKMWJAKO-UHFFFAOYSA-N 2 2 255.362 -0.177 20 0 CBADLP C[C@@H]1CC[N@H+](CC(=O)N(CCO)CC[NH+]2CCOCC2)C1 ZINC000654928525 420203273 /nfs/dbraw/zinc/20/32/73/420203273.db2.gz YCLAUUODRYQHDY-CQSZACIVSA-N 2 2 299.415 -0.519 20 0 CBADLP C[C@@H]1CC[N@@H+](CC(=O)N(CCO)CC[NH+]2CCOCC2)C1 ZINC000654928525 420203287 /nfs/dbraw/zinc/20/32/87/420203287.db2.gz YCLAUUODRYQHDY-CQSZACIVSA-N 2 2 299.415 -0.519 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000672992486 544865712 /nfs/dbraw/zinc/86/57/12/544865712.db2.gz HTYCNAMVOBVNEE-LBPRGKRZSA-N 2 2 278.356 -0.104 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)C[C@H](O)C1CC1 ZINC000653567112 420149594 /nfs/dbraw/zinc/14/95/94/420149594.db2.gz SGDYABCCJPIVCG-OLZOCXBDSA-N 2 2 260.378 -0.372 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)C[C@H](O)C1CC1 ZINC000653567112 420149598 /nfs/dbraw/zinc/14/95/98/420149598.db2.gz SGDYABCCJPIVCG-OLZOCXBDSA-N 2 2 260.378 -0.372 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)C[C@H](O)C1CC1 ZINC000653567112 420149601 /nfs/dbraw/zinc/14/96/01/420149601.db2.gz SGDYABCCJPIVCG-OLZOCXBDSA-N 2 2 260.378 -0.372 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)C[C@H](O)C1CC1 ZINC000653567112 420149605 /nfs/dbraw/zinc/14/96/05/420149605.db2.gz SGDYABCCJPIVCG-OLZOCXBDSA-N 2 2 260.378 -0.372 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+](CC(N)=O)C1CCCC1 ZINC000653543919 420150489 /nfs/dbraw/zinc/15/04/89/420150489.db2.gz FUKCCGWMDPQODI-ZDUSSCGKSA-N 2 2 287.404 -0.345 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+](CC(N)=O)C1CCCC1 ZINC000653543919 420150494 /nfs/dbraw/zinc/15/04/94/420150494.db2.gz FUKCCGWMDPQODI-ZDUSSCGKSA-N 2 2 287.404 -0.345 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+](CC(N)=O)C1CCCC1 ZINC000653543919 420150502 /nfs/dbraw/zinc/15/05/02/420150502.db2.gz FUKCCGWMDPQODI-ZDUSSCGKSA-N 2 2 287.404 -0.345 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+](CC(N)=O)C1CCCC1 ZINC000653543919 420150506 /nfs/dbraw/zinc/15/05/06/420150506.db2.gz FUKCCGWMDPQODI-ZDUSSCGKSA-N 2 2 287.404 -0.345 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](NC(=O)NC)C1 ZINC000653618379 420153307 /nfs/dbraw/zinc/15/33/07/420153307.db2.gz DKDXKKRJBHQUKP-MNOVXSKESA-N 2 2 258.366 -0.698 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](NC(=O)NC)C1 ZINC000653618379 420153314 /nfs/dbraw/zinc/15/33/14/420153314.db2.gz DKDXKKRJBHQUKP-MNOVXSKESA-N 2 2 258.366 -0.698 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](NC(=O)NC)C1 ZINC000653618379 420153318 /nfs/dbraw/zinc/15/33/18/420153318.db2.gz DKDXKKRJBHQUKP-MNOVXSKESA-N 2 2 258.366 -0.698 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](NC(=O)NC)C1 ZINC000653618379 420153322 /nfs/dbraw/zinc/15/33/22/420153322.db2.gz DKDXKKRJBHQUKP-MNOVXSKESA-N 2 2 258.366 -0.698 20 0 CBADLP NS(=O)(=O)CCC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000653646085 420154569 /nfs/dbraw/zinc/15/45/69/420154569.db2.gz RIFCTBAJNGUAID-UHFFFAOYSA-N 2 2 273.362 -0.790 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]2C(=O)N(C)C[C@H]21 ZINC000653666544 420155133 /nfs/dbraw/zinc/15/51/33/420155133.db2.gz WBFSXPWIMKUZPY-BFHYXJOUSA-N 2 2 299.415 -0.522 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]2C(=O)N(C)C[C@H]21 ZINC000653666544 420155136 /nfs/dbraw/zinc/15/51/36/420155136.db2.gz WBFSXPWIMKUZPY-BFHYXJOUSA-N 2 2 299.415 -0.522 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]2C(=O)N(C)C[C@H]21 ZINC000653666544 420155140 /nfs/dbraw/zinc/15/51/40/420155140.db2.gz WBFSXPWIMKUZPY-BFHYXJOUSA-N 2 2 299.415 -0.522 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]2C(=O)N(C)C[C@H]21 ZINC000653666544 420155145 /nfs/dbraw/zinc/15/51/45/420155145.db2.gz WBFSXPWIMKUZPY-BFHYXJOUSA-N 2 2 299.415 -0.522 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)C1(CO)CCOCC1 ZINC000653638413 420155579 /nfs/dbraw/zinc/15/55/79/420155579.db2.gz XMUAMRQNFCDCTG-CYBMUJFWSA-N 2 2 290.404 -0.601 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)C1(CO)CCOCC1 ZINC000653638413 420155582 /nfs/dbraw/zinc/15/55/82/420155582.db2.gz XMUAMRQNFCDCTG-CYBMUJFWSA-N 2 2 290.404 -0.601 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)C1(CO)CCOCC1 ZINC000653638413 420155589 /nfs/dbraw/zinc/15/55/89/420155589.db2.gz XMUAMRQNFCDCTG-CYBMUJFWSA-N 2 2 290.404 -0.601 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)C1(CO)CCOCC1 ZINC000653638413 420155590 /nfs/dbraw/zinc/15/55/90/420155590.db2.gz XMUAMRQNFCDCTG-CYBMUJFWSA-N 2 2 290.404 -0.601 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)NCCn2cc[nH+]c2)C1 ZINC000369941843 420168519 /nfs/dbraw/zinc/16/85/19/420168519.db2.gz KETLKJBEQUYLTC-NSHDSACASA-N 2 2 252.318 -0.280 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)NCCn2cc[nH+]c2)C1 ZINC000369941843 420168521 /nfs/dbraw/zinc/16/85/21/420168521.db2.gz KETLKJBEQUYLTC-NSHDSACASA-N 2 2 252.318 -0.280 20 0 CBADLP Cc1noc(C[N@H+](C)CCC(=O)N2CC[NH+](C)CC2)n1 ZINC000653888982 420168589 /nfs/dbraw/zinc/16/85/89/420168589.db2.gz NFJPMMQHEHDXAG-UHFFFAOYSA-N 2 2 281.360 -0.026 20 0 CBADLP Cc1noc(C[N@@H+](C)CCC(=O)N2CC[NH+](C)CC2)n1 ZINC000653888982 420168592 /nfs/dbraw/zinc/16/85/92/420168592.db2.gz NFJPMMQHEHDXAG-UHFFFAOYSA-N 2 2 281.360 -0.026 20 0 CBADLP C[C@@H](C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[NH+](C)C ZINC000653864447 420170448 /nfs/dbraw/zinc/17/04/48/420170448.db2.gz JJZGWAYPUHCCAH-SDDRHHMPSA-N 2 2 255.362 -0.084 20 0 CBADLP C[C@@H](C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[NH+](C)C ZINC000653864447 420170449 /nfs/dbraw/zinc/17/04/49/420170449.db2.gz JJZGWAYPUHCCAH-SDDRHHMPSA-N 2 2 255.362 -0.084 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000370156335 420173666 /nfs/dbraw/zinc/17/36/66/420173666.db2.gz PACUTVGNGLHTTN-CYBMUJFWSA-N 2 2 292.387 -0.484 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000370156335 420173669 /nfs/dbraw/zinc/17/36/69/420173669.db2.gz PACUTVGNGLHTTN-CYBMUJFWSA-N 2 2 292.387 -0.484 20 0 CBADLP CN1CC[N@H+](C)[C@@H](CNC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000654438442 420178674 /nfs/dbraw/zinc/17/86/74/420178674.db2.gz DMPRTLXYRNDFDK-MJBXVCDLSA-N 2 2 297.447 -0.128 20 0 CBADLP CN1CC[N@@H+](C)[C@@H](CNC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000654438442 420178677 /nfs/dbraw/zinc/17/86/77/420178677.db2.gz DMPRTLXYRNDFDK-MJBXVCDLSA-N 2 2 297.447 -0.128 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(CO)(OC)CC1 ZINC000401880254 420222471 /nfs/dbraw/zinc/22/24/71/420222471.db2.gz PZFUAYKAZSLBGG-LBPRGKRZSA-N 2 2 260.378 -0.228 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(CO)(OC)CC1 ZINC000401880254 420222476 /nfs/dbraw/zinc/22/24/76/420222476.db2.gz PZFUAYKAZSLBGG-LBPRGKRZSA-N 2 2 260.378 -0.228 20 0 CBADLP COCC[N@@H+]1CC[C@@H]([NH2+]CC[C@]2(O)CCOC2)C1 ZINC000404169347 420223558 /nfs/dbraw/zinc/22/35/58/420223558.db2.gz CZGUTFYBDAWWRF-OLZOCXBDSA-N 2 2 258.362 -0.162 20 0 CBADLP COCC[N@H+]1CC[C@@H]([NH2+]CC[C@]2(O)CCOC2)C1 ZINC000404169347 420223562 /nfs/dbraw/zinc/22/35/62/420223562.db2.gz CZGUTFYBDAWWRF-OLZOCXBDSA-N 2 2 258.362 -0.162 20 0 CBADLP O=C(NCC[NH+]1CCOCC1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407272390 420227597 /nfs/dbraw/zinc/22/75/97/420227597.db2.gz QAWHZDHKVVTAFA-CHWSQXEVSA-N 2 2 267.373 -0.035 20 0 CBADLP O=C(NCC[NH+]1CCOCC1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407272393 420227798 /nfs/dbraw/zinc/22/77/98/420227798.db2.gz QAWHZDHKVVTAFA-STQMWFEESA-N 2 2 267.373 -0.035 20 0 CBADLP CCO[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1C[NH3+] ZINC000405855501 420227872 /nfs/dbraw/zinc/22/78/72/420227872.db2.gz LEDWTVJZWPNSPR-VXGBXAGGSA-N 2 2 255.362 -0.096 20 0 CBADLP CCO[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1C[NH3+] ZINC000405855501 420227877 /nfs/dbraw/zinc/22/78/77/420227877.db2.gz LEDWTVJZWPNSPR-VXGBXAGGSA-N 2 2 255.362 -0.096 20 0 CBADLP CCO[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1C[NH3+] ZINC000405866341 420227944 /nfs/dbraw/zinc/22/79/44/420227944.db2.gz PLRZXBJTLNXENT-ZYHUDNBSSA-N 2 2 255.362 -0.097 20 0 CBADLP CCO[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1C[NH3+] ZINC000405866341 420227947 /nfs/dbraw/zinc/22/79/47/420227947.db2.gz PLRZXBJTLNXENT-ZYHUDNBSSA-N 2 2 255.362 -0.097 20 0 CBADLP O=C([C@H]1CC[C@@H](C2CC2)[NH2+]1)N1CC[NH+](CCO)CC1 ZINC000407251659 420228692 /nfs/dbraw/zinc/22/86/92/420228692.db2.gz HHHKDHROBQGPJX-QWHCGFSZSA-N 2 2 267.373 -0.347 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655244180 420233921 /nfs/dbraw/zinc/23/39/21/420233921.db2.gz NRZOHJYHPIFDSJ-IGQOVBAYSA-N 2 2 299.415 -0.069 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655244180 420233926 /nfs/dbraw/zinc/23/39/26/420233926.db2.gz NRZOHJYHPIFDSJ-IGQOVBAYSA-N 2 2 299.415 -0.069 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1C[NH+](C)CCO1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655244180 420233930 /nfs/dbraw/zinc/23/39/30/420233930.db2.gz NRZOHJYHPIFDSJ-IGQOVBAYSA-N 2 2 299.415 -0.069 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1C[NH+](C)CCO1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655244180 420233932 /nfs/dbraw/zinc/23/39/32/420233932.db2.gz NRZOHJYHPIFDSJ-IGQOVBAYSA-N 2 2 299.415 -0.069 20 0 CBADLP C[C@@H](C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)[NH+]1CCSCC1 ZINC000655295657 420239197 /nfs/dbraw/zinc/23/91/97/420239197.db2.gz FTWBFKVKITYXLS-RWMBFGLXSA-N 2 2 299.440 -0.299 20 0 CBADLP C[C@@H](C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)[NH+]1CCSCC1 ZINC000655295657 420239204 /nfs/dbraw/zinc/23/92/04/420239204.db2.gz FTWBFKVKITYXLS-RWMBFGLXSA-N 2 2 299.440 -0.299 20 0 CBADLP C[C@@H]1CN(c2cc(-n3cccn3)nc(N)[nH+]2)CC[NH2+]1 ZINC000420242661 420249773 /nfs/dbraw/zinc/24/97/73/420249773.db2.gz PHKUBLRJNXOXLR-SECBINFHSA-N 2 2 259.317 0.043 20 0 CBADLP C[NH2+]CC[N@H+](C)CCCN1C(=O)NC(C)(C)C1=O ZINC000420335304 420251298 /nfs/dbraw/zinc/25/12/98/420251298.db2.gz IKPWAXZLQLBNKB-UHFFFAOYSA-N 2 2 256.350 -0.142 20 0 CBADLP C[NH2+]CC[N@@H+](C)CCCN1C(=O)NC(C)(C)C1=O ZINC000420335304 420251300 /nfs/dbraw/zinc/25/13/00/420251300.db2.gz IKPWAXZLQLBNKB-UHFFFAOYSA-N 2 2 256.350 -0.142 20 0 CBADLP CN1CC[NH2+]C[C@H]1CNc1nc[nH+]c(N)c1Cl ZINC000420264471 420252309 /nfs/dbraw/zinc/25/23/09/420252309.db2.gz CZBVIBYBYXHOQH-ZETCQYMHSA-N 2 2 256.741 0.028 20 0 CBADLP COCC[NH2+]CC(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488223 420254530 /nfs/dbraw/zinc/25/45/30/420254530.db2.gz WLLDLBCVWVXMMC-UPJWGTAASA-N 2 2 287.404 -0.164 20 0 CBADLP COCC[NH2+]CC(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488223 420254535 /nfs/dbraw/zinc/25/45/35/420254535.db2.gz WLLDLBCVWVXMMC-UPJWGTAASA-N 2 2 287.404 -0.164 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000423503923 420257560 /nfs/dbraw/zinc/25/75/60/420257560.db2.gz NEXKMLLXNJWHCF-NWDGAFQWSA-N 2 2 284.404 -0.348 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000423503923 420257562 /nfs/dbraw/zinc/25/75/62/420257562.db2.gz NEXKMLLXNJWHCF-NWDGAFQWSA-N 2 2 284.404 -0.348 20 0 CBADLP COCC[NH+]1CCC([NH2+]C2CN(C(C)=O)C2)CC1 ZINC000655783420 420271232 /nfs/dbraw/zinc/27/12/32/420271232.db2.gz IRYYZOGEGJSVTN-UHFFFAOYSA-N 2 2 255.362 -0.083 20 0 CBADLP C[NH2+]C[C@H](C)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000430720680 420271996 /nfs/dbraw/zinc/27/19/96/420271996.db2.gz NGQBRVFYACLFKL-LBPRGKRZSA-N 2 2 295.387 0.009 20 0 CBADLP [NH3+]C[C@@H]1CCC[N@H+](CC(=O)NCCCN2CCCC2=O)C1 ZINC000430608529 420272320 /nfs/dbraw/zinc/27/23/20/420272320.db2.gz DILQEZYSKWWXAI-ZDUSSCGKSA-N 2 2 296.415 -0.214 20 0 CBADLP [NH3+]C[C@@H]1CCC[N@@H+](CC(=O)NCCCN2CCCC2=O)C1 ZINC000430608529 420272323 /nfs/dbraw/zinc/27/23/23/420272323.db2.gz DILQEZYSKWWXAI-ZDUSSCGKSA-N 2 2 296.415 -0.214 20 0 CBADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000430581131 420272383 /nfs/dbraw/zinc/27/23/83/420272383.db2.gz NWMOFHDEDHQMEV-FZMZJTMJSA-N 2 2 284.404 -0.327 20 0 CBADLP C[N@H+](CC(=O)NCCC(C)(C)C)CC(=O)N1CC[NH2+]CC1 ZINC000430614283 420273246 /nfs/dbraw/zinc/27/32/46/420273246.db2.gz XUJKKCXBIVEQKK-UHFFFAOYSA-N 2 2 298.431 -0.098 20 0 CBADLP C[N@@H+](CC(=O)NCCC(C)(C)C)CC(=O)N1CC[NH2+]CC1 ZINC000430614283 420273250 /nfs/dbraw/zinc/27/32/50/420273250.db2.gz XUJKKCXBIVEQKK-UHFFFAOYSA-N 2 2 298.431 -0.098 20 0 CBADLP C[NH+](C)[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1O ZINC000655095709 420219772 /nfs/dbraw/zinc/21/97/72/420219772.db2.gz LREZPNUOOCQMIF-QWRGUYRKSA-N 2 2 252.318 -0.524 20 0 CBADLP C[NH+](C)[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1O ZINC000655095709 420219777 /nfs/dbraw/zinc/21/97/77/420219777.db2.gz LREZPNUOOCQMIF-QWRGUYRKSA-N 2 2 252.318 -0.524 20 0 CBADLP C[NH+](C)C/C=C\C(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000493842292 420315406 /nfs/dbraw/zinc/31/54/06/420315406.db2.gz YZQAYDWIZRRTOZ-KBIXYVOKSA-N 2 2 253.346 -0.354 20 0 CBADLP COCCC1C[NH+](C[C@H](O)C[N@H+](C)CCOC)C1 ZINC000656702778 420319689 /nfs/dbraw/zinc/31/96/89/420319689.db2.gz IVAIUEMIIAPEFR-CYBMUJFWSA-N 2 2 260.378 -0.106 20 0 CBADLP COCCC1C[NH+](C[C@H](O)C[N@@H+](C)CCOC)C1 ZINC000656702778 420319693 /nfs/dbraw/zinc/31/96/93/420319693.db2.gz IVAIUEMIIAPEFR-CYBMUJFWSA-N 2 2 260.378 -0.106 20 0 CBADLP CO[C@@H]1CS(=O)(=O)[C@H]2C[N@H+](C[C@]3(C)CC[NH2+]C3)C[C@H]21 ZINC000656792453 420321214 /nfs/dbraw/zinc/32/12/14/420321214.db2.gz RDFHETGPXKUICZ-QNWHQSFQSA-N 2 2 288.413 -0.270 20 0 CBADLP CO[C@@H]1CS(=O)(=O)[C@H]2C[N@@H+](C[C@]3(C)CC[NH2+]C3)C[C@H]21 ZINC000656792453 420321217 /nfs/dbraw/zinc/32/12/17/420321217.db2.gz RDFHETGPXKUICZ-QNWHQSFQSA-N 2 2 288.413 -0.270 20 0 CBADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(C)(=O)=O ZINC000657072266 420339349 /nfs/dbraw/zinc/33/93/49/420339349.db2.gz ZGGQPYAJOIJAAT-JTQLQIEISA-N 2 2 251.396 -0.192 20 0 CBADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(C)(=O)=O ZINC000657072266 420339352 /nfs/dbraw/zinc/33/93/52/420339352.db2.gz ZGGQPYAJOIJAAT-JTQLQIEISA-N 2 2 251.396 -0.192 20 0 CBADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(N)(=O)=O ZINC000657071511 420339895 /nfs/dbraw/zinc/33/98/95/420339895.db2.gz OKXKDFMBCROKSW-VIFPVBQESA-N 2 2 252.384 -0.949 20 0 CBADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(N)(=O)=O ZINC000657071511 420339899 /nfs/dbraw/zinc/33/98/99/420339899.db2.gz OKXKDFMBCROKSW-VIFPVBQESA-N 2 2 252.384 -0.949 20 0 CBADLP CO[C@@H](C)CS(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000657091765 420341124 /nfs/dbraw/zinc/34/11/24/420341124.db2.gz PIYBQGIZXRDUSC-LBPRGKRZSA-N 2 2 295.449 -0.176 20 0 CBADLP CO[C@@H](C)CS(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000657091765 420341127 /nfs/dbraw/zinc/34/11/27/420341127.db2.gz PIYBQGIZXRDUSC-LBPRGKRZSA-N 2 2 295.449 -0.176 20 0 CBADLP CN(C)S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000657093366 420342224 /nfs/dbraw/zinc/34/22/24/420342224.db2.gz ZOKIZUBRUZTBIY-UHFFFAOYSA-N 2 2 266.411 -0.734 20 0 CBADLP CN(C)S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000657093366 420342228 /nfs/dbraw/zinc/34/22/28/420342228.db2.gz ZOKIZUBRUZTBIY-UHFFFAOYSA-N 2 2 266.411 -0.734 20 0 CBADLP CCNS(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000657092187 420342737 /nfs/dbraw/zinc/34/27/37/420342737.db2.gz QWNILSSYWUYPHY-UHFFFAOYSA-N 2 2 266.411 -0.686 20 0 CBADLP CCNS(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000657092187 420342740 /nfs/dbraw/zinc/34/27/40/420342740.db2.gz QWNILSSYWUYPHY-UHFFFAOYSA-N 2 2 266.411 -0.686 20 0 CBADLP C[C@@H](C(=O)N[C@@H](CO)C[NH+](C)C)[NH+]1CCSCC1 ZINC000673519863 544877300 /nfs/dbraw/zinc/87/73/00/544877300.db2.gz AQHNGHAEWCOAAU-WDEREUQCSA-N 2 2 275.418 -0.538 20 0 CBADLP CC[C@@H]1C[C@@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)CO1 ZINC000657334054 420352402 /nfs/dbraw/zinc/35/24/02/420352402.db2.gz KAFWESMERRWVNB-VXGBXAGGSA-N 2 2 255.362 -0.083 20 0 CBADLP CNS(=O)(=O)CC[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657441611 420355260 /nfs/dbraw/zinc/35/52/60/420355260.db2.gz CNJCYNIPDWSNKJ-UHFFFAOYSA-N 2 2 258.347 -0.532 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@]1(OCCO)CCOC1 ZINC000657597807 420358531 /nfs/dbraw/zinc/35/85/31/420358531.db2.gz PPPFIQBXGCSRGN-FRRDWIJNSA-N 2 2 258.362 -0.306 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@]1(OCCO)CCOC1 ZINC000657597807 420358534 /nfs/dbraw/zinc/35/85/34/420358534.db2.gz PPPFIQBXGCSRGN-FRRDWIJNSA-N 2 2 258.362 -0.306 20 0 CBADLP C[NH+](C)C[C@@H](CO)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000673524325 544878888 /nfs/dbraw/zinc/87/88/88/544878888.db2.gz REKPQJBBUKZYBR-NSHDSACASA-N 2 2 262.313 -0.013 20 0 CBADLP CC(C)[C@@H](CNC(=O)[C@H]1CC[NH2+]1)[NH+]1CCOCC1 ZINC000444169413 420292795 /nfs/dbraw/zinc/29/27/95/420292795.db2.gz RNYMXUOJHQDHLX-VXGBXAGGSA-N 2 2 255.362 -0.179 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC([C@H]2CCOC2)C1 ZINC000656151710 420300178 /nfs/dbraw/zinc/30/01/78/420300178.db2.gz BZNMQFMPOLCRCN-GXTWGEPZSA-N 2 2 272.389 -0.106 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC([C@@H]2CCOC2)C1 ZINC000656151712 420300440 /nfs/dbraw/zinc/30/04/40/420300440.db2.gz BZNMQFMPOLCRCN-OCCSQVGLSA-N 2 2 272.389 -0.106 20 0 CBADLP Cn1cnnc1N1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000656193290 420302893 /nfs/dbraw/zinc/30/28/93/420302893.db2.gz FDXCZXNSAQYDHT-ZDUSSCGKSA-N 2 2 264.377 -0.063 20 0 CBADLP CC[N@H+](C[C@H](O)C[NH+](C)CCOC)[C@@H]1CCNC1=O ZINC000517038052 420370037 /nfs/dbraw/zinc/37/00/37/420370037.db2.gz HTDMJVSDVJWNNN-VXGBXAGGSA-N 2 2 273.377 -0.864 20 0 CBADLP CC[N@@H+](C[C@H](O)C[NH+](C)CCOC)[C@@H]1CCNC1=O ZINC000517038052 420370041 /nfs/dbraw/zinc/37/00/41/420370041.db2.gz HTDMJVSDVJWNNN-VXGBXAGGSA-N 2 2 273.377 -0.864 20 0 CBADLP CC[NH+](C[C@H](O)C[N@H+](C)CCOC)[C@@H]1CCNC1=O ZINC000517038052 420370044 /nfs/dbraw/zinc/37/00/44/420370044.db2.gz HTDMJVSDVJWNNN-VXGBXAGGSA-N 2 2 273.377 -0.864 20 0 CBADLP CC[NH+](C[C@H](O)C[N@@H+](C)CCOC)[C@@H]1CCNC1=O ZINC000517038052 420370047 /nfs/dbraw/zinc/37/00/47/420370047.db2.gz HTDMJVSDVJWNNN-VXGBXAGGSA-N 2 2 273.377 -0.864 20 0 CBADLP O=C(NCCCNc1cccc[nH+]1)C(=O)NC1C[NH2+]C1 ZINC000517102724 420371542 /nfs/dbraw/zinc/37/15/42/420371542.db2.gz GDMQXJHJGGFQKK-UHFFFAOYSA-N 2 2 277.328 -0.912 20 0 CBADLP CC(C)CCC(=O)NCC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000517368437 420375992 /nfs/dbraw/zinc/37/59/92/420375992.db2.gz HMYCWVBAZLRLFU-LBPRGKRZSA-N 2 2 284.404 -0.360 20 0 CBADLP CC(C)CCC(=O)NCC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000517368437 420375996 /nfs/dbraw/zinc/37/59/96/420375996.db2.gz HMYCWVBAZLRLFU-LBPRGKRZSA-N 2 2 284.404 -0.360 20 0 CBADLP CC(C)CCC(=O)NCC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000517368433 420376387 /nfs/dbraw/zinc/37/63/87/420376387.db2.gz HMYCWVBAZLRLFU-GFCCVEGCSA-N 2 2 284.404 -0.360 20 0 CBADLP CC(C)CCC(=O)NCC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000517368433 420376393 /nfs/dbraw/zinc/37/63/93/420376393.db2.gz HMYCWVBAZLRLFU-GFCCVEGCSA-N 2 2 284.404 -0.360 20 0 CBADLP CCCC[C@H](NC(N)=O)C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000518535761 420382441 /nfs/dbraw/zinc/38/24/41/420382441.db2.gz IWMXOUYURCIVDJ-QWRGUYRKSA-N 2 2 285.392 -0.685 20 0 CBADLP CCCC[C@H](NC(N)=O)C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000518535761 420382446 /nfs/dbraw/zinc/38/24/46/420382446.db2.gz IWMXOUYURCIVDJ-QWRGUYRKSA-N 2 2 285.392 -0.685 20 0 CBADLP C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000659113239 420398216 /nfs/dbraw/zinc/39/82/16/420398216.db2.gz UZKAJJPAMFIZKV-QMMMGPOBSA-N 2 2 266.301 -0.247 20 0 CBADLP COc1cc[nH+]cc1NC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000659100631 420398999 /nfs/dbraw/zinc/39/89/99/420398999.db2.gz YBMFNHNWMVIWRO-UHFFFAOYSA-N 2 2 290.323 -0.022 20 0 CBADLP C[C@H](CC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)n1cc[nH+]c1 ZINC000516878262 420366328 /nfs/dbraw/zinc/36/63/28/420366328.db2.gz FBZSHFQHHQKICM-GRYCIOLGSA-N 2 2 291.355 -0.395 20 0 CBADLP COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000516969273 420368200 /nfs/dbraw/zinc/36/82/00/420368200.db2.gz UKXSOMDRARZIDU-NWDGAFQWSA-N 2 2 283.372 -0.403 20 0 CBADLP COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000516969273 420368203 /nfs/dbraw/zinc/36/82/03/420368203.db2.gz UKXSOMDRARZIDU-NWDGAFQWSA-N 2 2 283.372 -0.403 20 0 CBADLP C[NH+]1CCN(CC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000676341148 544948526 /nfs/dbraw/zinc/94/85/26/544948526.db2.gz HZXBPBFPEPMUIH-AWEZNQCLSA-N 2 2 296.415 -0.833 20 0 CBADLP C[NH+](C)CC(=O)N1CC[NH+]([C@@H]2CCCOC2)CC1 ZINC000676402665 544951792 /nfs/dbraw/zinc/95/17/92/544951792.db2.gz QACDKCVYVYMWIO-GFCCVEGCSA-N 2 2 255.362 -0.129 20 0 CBADLP C[C@@H]1CN(C)C[C@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000674878194 544919724 /nfs/dbraw/zinc/91/97/24/544919724.db2.gz GWDVDBRZJIECLK-VXGBXAGGSA-N 2 2 254.378 -0.700 20 0 CBADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1cnccn1 ZINC000675782208 544936910 /nfs/dbraw/zinc/93/69/10/544936910.db2.gz NZDPKHHZLRDZNC-NSHDSACASA-N 2 2 263.345 -0.099 20 0 CBADLP C[C@@H](NC(=O)N1CC[NH+](C)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000676306936 544946616 /nfs/dbraw/zinc/94/66/16/544946616.db2.gz XFYMLSICOMIAAW-NEPJUHHUSA-N 2 2 270.377 -0.338 20 0 CBADLP C[C@@H](NC(=O)N1CC[NH+](C)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676306936 544946619 /nfs/dbraw/zinc/94/66/19/544946619.db2.gz XFYMLSICOMIAAW-NEPJUHHUSA-N 2 2 270.377 -0.338 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CC2CC1(C[NH3+])C2 ZINC000659436620 420418753 /nfs/dbraw/zinc/41/87/53/420418753.db2.gz WIVORLGMMOTQMK-DCBWTQNWSA-N 2 2 282.388 -0.160 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N(C)CCC[NH3+] ZINC000659435725 420418804 /nfs/dbraw/zinc/41/88/04/420418804.db2.gz LUOVPWOAOQYELI-NSHDSACASA-N 2 2 258.366 -0.303 20 0 CBADLP O=C(NC[C@H]1C[NH+]2CCN1CC2)[C@@H]1CCn2c[nH+]cc2C1 ZINC000676844953 544963810 /nfs/dbraw/zinc/96/38/10/544963810.db2.gz UQGCPSDKXYKQGH-OCCSQVGLSA-N 2 2 289.383 -0.439 20 0 CBADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NCC[NH+]1CCC1 ZINC000677014067 544965966 /nfs/dbraw/zinc/96/59/66/544965966.db2.gz TUVLJVRZZGLLQO-CYBMUJFWSA-N 2 2 283.420 -0.373 20 0 CBADLP C[NH+](C)C[C@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000133762946 230172743 /nfs/dbraw/zinc/17/27/43/230172743.db2.gz QFVYCYMCZMMZRW-CYBMUJFWSA-N 3 2 268.405 -0.356 20 0 CBADLP C[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000133762946 230172747 /nfs/dbraw/zinc/17/27/47/230172747.db2.gz QFVYCYMCZMMZRW-CYBMUJFWSA-N 3 2 268.405 -0.356 20 0 CBADLP O=C(C[C@H]1COCC[NH2+]1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659358158 420413792 /nfs/dbraw/zinc/41/37/92/420413792.db2.gz PWEYFNQUOHEWRK-QWHCGFSZSA-N 2 2 283.372 -0.702 20 0 CBADLP CC1(C)C[NH2+][C@@H]1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659358064 420413804 /nfs/dbraw/zinc/41/38/04/420413804.db2.gz OOLHOWQMIJUCSG-NWDGAFQWSA-N 2 2 267.373 -0.083 20 0 CBADLP COC1(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CC[NH2+]CC1 ZINC000659357780 420414017 /nfs/dbraw/zinc/41/40/17/420414017.db2.gz MQIILBPNQLKALK-ZDUSSCGKSA-N 2 2 297.399 -0.312 20 0 CBADLP CC1(C)C[NH2+][C@H]1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659358065 420415090 /nfs/dbraw/zinc/41/50/90/420415090.db2.gz OOLHOWQMIJUCSG-RYUDHWBXSA-N 2 2 267.373 -0.083 20 0 CBADLP COC[C@@]1(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CCC[NH2+]1 ZINC000659357565 420415179 /nfs/dbraw/zinc/41/51/79/420415179.db2.gz JYYHDPFPBATZOP-UKRRQHHQSA-N 2 2 297.399 -0.312 20 0 CBADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)Cc1cn[nH]c1 ZINC000678521302 545018957 /nfs/dbraw/zinc/01/89/57/545018957.db2.gz CODMIWNTFODNLL-UHFFFAOYSA-N 2 2 251.334 -0.385 20 0 CBADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)Cc1cn[nH]c1 ZINC000678521302 545018960 /nfs/dbraw/zinc/01/89/60/545018960.db2.gz CODMIWNTFODNLL-UHFFFAOYSA-N 2 2 251.334 -0.385 20 0 CBADLP O=C(N[C@H]1CCC[NH2+]C1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659517890 420427010 /nfs/dbraw/zinc/42/70/10/420427010.db2.gz UNIARKYZTXTYGT-QWHCGFSZSA-N 2 2 282.388 -0.146 20 0 CBADLP [NH3+][C@H](CNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)C1CC1 ZINC000659527815 420429017 /nfs/dbraw/zinc/42/90/17/420429017.db2.gz NWVMRDFHBRMLGG-CHWSQXEVSA-N 2 2 282.388 -0.160 20 0 CBADLP [NH3+]CC(F)(F)CNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659532405 420429519 /nfs/dbraw/zinc/42/95/19/420429519.db2.gz MNPLJKNSRJXJFV-JTQLQIEISA-N 2 2 292.330 -0.304 20 0 CBADLP C[NH+]1CCN(c2nccnc2N2CC[NH+](C)CC2)CC1 ZINC000679389929 545028115 /nfs/dbraw/zinc/02/81/15/545028115.db2.gz LISWLNFDCZMRRZ-UHFFFAOYSA-N 2 2 276.388 -0.020 20 0 CBADLP [NH3+]C1(CNC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CCC1 ZINC000659530179 420430586 /nfs/dbraw/zinc/43/05/86/420430586.db2.gz OKEWXBCEHBFRTF-GFCCVEGCSA-N 2 2 282.388 -0.016 20 0 CBADLP CCNC(=O)CC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000679635712 545031011 /nfs/dbraw/zinc/03/10/11/545031011.db2.gz HOUDWIHYPVLCOE-GFCCVEGCSA-N 2 2 296.415 -0.203 20 0 CBADLP CCNC(=O)CC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000679635712 545031013 /nfs/dbraw/zinc/03/10/13/545031013.db2.gz HOUDWIHYPVLCOE-GFCCVEGCSA-N 2 2 296.415 -0.203 20 0 CBADLP C[C@H]([NH3+])[C@H](C)NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659552498 420433297 /nfs/dbraw/zinc/43/32/97/420433297.db2.gz ZGLLFXZLXLSXQG-SRVKXCTJSA-N 2 2 270.377 -0.162 20 0 CBADLP C[C@@H](O)CNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000683417613 545064406 /nfs/dbraw/zinc/06/44/06/545064406.db2.gz BINFDUCRMSQCOG-NEPJUHHUSA-N 2 2 284.404 -0.165 20 0 CBADLP C[C@@H](O)CNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000683417613 545064407 /nfs/dbraw/zinc/06/44/07/545064407.db2.gz BINFDUCRMSQCOG-NEPJUHHUSA-N 2 2 284.404 -0.165 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(C)(C)C(N)=O)C2)CC1 ZINC000683483933 545065566 /nfs/dbraw/zinc/06/55/66/545065566.db2.gz ISGOQIAHXZXEEV-LLVKDONJSA-N 2 2 296.415 -0.217 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(C)(C)C(N)=O)C2)CC1 ZINC000683483933 545065568 /nfs/dbraw/zinc/06/55/68/545065568.db2.gz ISGOQIAHXZXEEV-LLVKDONJSA-N 2 2 296.415 -0.217 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(C)(C)C(N)=O)C2)CC1 ZINC000683483934 545065600 /nfs/dbraw/zinc/06/56/00/545065600.db2.gz ISGOQIAHXZXEEV-NSHDSACASA-N 2 2 296.415 -0.217 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(C)(C)C(N)=O)C2)CC1 ZINC000683483934 545065601 /nfs/dbraw/zinc/06/56/01/545065601.db2.gz ISGOQIAHXZXEEV-NSHDSACASA-N 2 2 296.415 -0.217 20 0 CBADLP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000659753785 420468684 /nfs/dbraw/zinc/46/86/84/420468684.db2.gz NHJVMBICOBUNHP-JTQLQIEISA-N 2 2 268.361 -0.983 20 0 CBADLP C[C@@H](C(=O)N1CCC2(C[NH+](C)C2)C1)N1CC[NH+](C)CC1 ZINC000684172973 545072011 /nfs/dbraw/zinc/07/20/11/545072011.db2.gz RUFWMDLMBHMWQU-ZDUSSCGKSA-N 2 2 280.416 -0.214 20 0 CBADLP C[C@@H](C(=O)N1CCC2(C[NH+](C)C2)C1)[NH+]1CCN(C)CC1 ZINC000684172973 545072013 /nfs/dbraw/zinc/07/20/13/545072013.db2.gz RUFWMDLMBHMWQU-ZDUSSCGKSA-N 2 2 280.416 -0.214 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH+]3CCC3)[C@H](F)C2)C1 ZINC000684180139 545072348 /nfs/dbraw/zinc/07/23/48/545072348.db2.gz VWWBTAKGUZDXLD-AGIUHOORSA-N 2 2 285.363 -0.038 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH+]3CCC3)[C@H](F)C2)C1 ZINC000684180139 545072350 /nfs/dbraw/zinc/07/23/50/545072350.db2.gz VWWBTAKGUZDXLD-AGIUHOORSA-N 2 2 285.363 -0.038 20 0 CBADLP Cc1c[nH+]ccc1NCC[NH+]1CCN(S(C)(=O)=O)CC1 ZINC000684570153 545075615 /nfs/dbraw/zinc/07/56/15/545075615.db2.gz OKLBYHZYDKMINA-UHFFFAOYSA-N 2 2 298.412 -0.199 20 0 CBADLP CC(C)[C@H]([NH3+])CCNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000659619629 420438857 /nfs/dbraw/zinc/43/88/57/420438857.db2.gz QDHWXUGJJFEQOP-VXGBXAGGSA-N 3 2 271.409 -0.356 20 0 CBADLP CC(C)[C@H]([NH3+])CCNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000659619629 420438864 /nfs/dbraw/zinc/43/88/64/420438864.db2.gz QDHWXUGJJFEQOP-VXGBXAGGSA-N 3 2 271.409 -0.356 20 0 CBADLP O=C(NCC[NH+]1CCOCC1)NCC12CC(C1)C[NH2+]2 ZINC000659619825 420439038 /nfs/dbraw/zinc/43/90/38/420439038.db2.gz BQHJECZOMPWHOP-UHFFFAOYSA-N 2 2 268.361 -0.630 20 0 CBADLP C[C@H]1CN(C(=O)[C@H]2CCCC[NH+]2C)CC[N@@H+]1CCO ZINC000681763165 545051387 /nfs/dbraw/zinc/05/13/87/545051387.db2.gz XUUKUZVEVWFLGK-QWHCGFSZSA-N 2 2 269.389 -0.004 20 0 CBADLP C[C@H]1CN(C(=O)[C@H]2CCCC[NH+]2C)CC[N@H+]1CCO ZINC000681763165 545051389 /nfs/dbraw/zinc/05/13/89/545051389.db2.gz XUUKUZVEVWFLGK-QWHCGFSZSA-N 2 2 269.389 -0.004 20 0 CBADLP C[C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)CC[NH+]1CCO ZINC000681763165 545051390 /nfs/dbraw/zinc/05/13/90/545051390.db2.gz XUUKUZVEVWFLGK-QWHCGFSZSA-N 2 2 269.389 -0.004 20 0 CBADLP C[C@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)CC[NH+]1CCO ZINC000681763165 545051392 /nfs/dbraw/zinc/05/13/92/545051392.db2.gz XUUKUZVEVWFLGK-QWHCGFSZSA-N 2 2 269.389 -0.004 20 0 CBADLP C[NH2+]C[C@@H](C)NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659637672 420441398 /nfs/dbraw/zinc/44/13/98/420441398.db2.gz VKCQMFPZZXDEKA-VXGBXAGGSA-N 2 2 270.377 -0.290 20 0 CBADLP Cc1cc(NC(=O)CC[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)no1 ZINC000569595832 420451713 /nfs/dbraw/zinc/45/17/13/420451713.db2.gz QAMAUFNJLKPGQF-GFCCVEGCSA-N 2 2 295.387 0.147 20 0 CBADLP Cc1cc(NC(=O)CC[NH2+]C[C@@H]2C[N@H+](C)CCN2C)no1 ZINC000569595832 420451716 /nfs/dbraw/zinc/45/17/16/420451716.db2.gz QAMAUFNJLKPGQF-GFCCVEGCSA-N 2 2 295.387 0.147 20 0 CBADLP C[N@@H+]1CCN(C(=O)Nc2cc3ccccn3n2)[C@H](C[NH3+])C1 ZINC000581536609 420471353 /nfs/dbraw/zinc/47/13/53/420471353.db2.gz KCMOPAANOYVDNG-GFCCVEGCSA-N 2 2 288.355 0.441 20 0 CBADLP C[N@H+]1CCN(C(=O)Nc2cc3ccccn3n2)[C@H](C[NH3+])C1 ZINC000581536609 420471356 /nfs/dbraw/zinc/47/13/56/420471356.db2.gz KCMOPAANOYVDNG-GFCCVEGCSA-N 2 2 288.355 0.441 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659731811 420460931 /nfs/dbraw/zinc/46/09/31/420460931.db2.gz DPPTZVHJKPPSBA-UHFFFAOYSA-N 2 2 282.388 -0.462 20 0 CBADLP C[N@@H+]1CCN(C(=O)Nc2nnc3ccccn32)[C@H](C[NH3+])C1 ZINC000581655030 420471611 /nfs/dbraw/zinc/47/16/11/420471611.db2.gz LOEQEPSWIRHSSS-SNVBAGLBSA-N 2 2 289.343 -0.164 20 0 CBADLP C[N@H+]1CCN(C(=O)Nc2nnc3ccccn32)[C@H](C[NH3+])C1 ZINC000581655030 420471613 /nfs/dbraw/zinc/47/16/13/420471613.db2.gz LOEQEPSWIRHSSS-SNVBAGLBSA-N 2 2 289.343 -0.164 20 0 CBADLP Cn1ncc2c1nc(NCC[C@H]1CCC[NH2+]1)[nH+]c2N ZINC000581539135 420471815 /nfs/dbraw/zinc/47/18/15/420471815.db2.gz VRRQZNAAMIQMNK-MRVPVSSYSA-N 2 2 261.333 0.500 20 0 CBADLP CO[C@@H](C[NH+]1CCN(C(=O)C[NH+](C)C)CC1)[C@H]1CCOC1 ZINC000659839168 420473528 /nfs/dbraw/zinc/47/35/28/420473528.db2.gz UXKKXLXTKQVCCG-KBPBESRZSA-N 2 2 299.415 -0.256 20 0 CBADLP COc1c(N)[nH+]cnc1NC[C@H](C)N1CC[NH+](C)CC1 ZINC000583273313 420474460 /nfs/dbraw/zinc/47/44/60/420474460.db2.gz MYSVLAPCYIERIM-JTQLQIEISA-N 2 2 280.376 0.115 20 0 CBADLP CO[C@H](C[NH+]1CCN(C(=O)C[NH+](C)C)CC1)[C@H]1CCOC1 ZINC000659839214 420474431 /nfs/dbraw/zinc/47/44/31/420474431.db2.gz UXKKXLXTKQVCCG-UONOGXRCSA-N 2 2 299.415 -0.256 20 0 CBADLP COC[C@H](C[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1)OC ZINC000659878910 420476152 /nfs/dbraw/zinc/47/61/52/420476152.db2.gz RUOZDGFGYCXUGX-AWEZNQCLSA-N 2 2 299.415 -0.112 20 0 CBADLP O=C1C[C@@H](C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)CN1 ZINC000659954950 420479519 /nfs/dbraw/zinc/47/95/19/420479519.db2.gz FHUFQUXTDFSOMS-QWHCGFSZSA-N 2 2 267.373 -0.223 20 0 CBADLP O=C1C[C@@H](C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)CN1 ZINC000659954950 420479522 /nfs/dbraw/zinc/47/95/22/420479522.db2.gz FHUFQUXTDFSOMS-QWHCGFSZSA-N 2 2 267.373 -0.223 20 0 CBADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1CS(N)(=O)=O ZINC000660075149 420483370 /nfs/dbraw/zinc/48/33/70/420483370.db2.gz BYHRWLPICZDIFY-NEPJUHHUSA-N 2 2 293.433 -0.560 20 0 CBADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1CS(N)(=O)=O ZINC000660075149 420483373 /nfs/dbraw/zinc/48/33/73/420483373.db2.gz BYHRWLPICZDIFY-NEPJUHHUSA-N 2 2 293.433 -0.560 20 0 CBADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000660075149 420483375 /nfs/dbraw/zinc/48/33/75/420483375.db2.gz BYHRWLPICZDIFY-NEPJUHHUSA-N 2 2 293.433 -0.560 20 0 CBADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000660075149 420483378 /nfs/dbraw/zinc/48/33/78/420483378.db2.gz BYHRWLPICZDIFY-NEPJUHHUSA-N 2 2 293.433 -0.560 20 0 CBADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCNC(=O)C[C@H]1C ZINC000660144653 420484509 /nfs/dbraw/zinc/48/45/09/420484509.db2.gz FUSRDFDQRAJNKL-NEPJUHHUSA-N 2 2 257.378 -0.102 20 0 CBADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCNC(=O)C[C@H]1C ZINC000660144653 420484511 /nfs/dbraw/zinc/48/45/11/420484511.db2.gz FUSRDFDQRAJNKL-NEPJUHHUSA-N 2 2 257.378 -0.102 20 0 CBADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCNC(=O)C[C@H]1C ZINC000660144653 420484513 /nfs/dbraw/zinc/48/45/13/420484513.db2.gz FUSRDFDQRAJNKL-NEPJUHHUSA-N 2 2 257.378 -0.102 20 0 CBADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCNC(=O)C[C@H]1C ZINC000660144653 420484514 /nfs/dbraw/zinc/48/45/14/420484514.db2.gz FUSRDFDQRAJNKL-NEPJUHHUSA-N 2 2 257.378 -0.102 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)CN(C)Cc1[nH]cc[nH+]1 ZINC000660142984 420485269 /nfs/dbraw/zinc/48/52/69/420485269.db2.gz NSCQNNSQJUWEBF-LLVKDONJSA-N 2 2 256.350 -0.219 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)CN(C)Cc1[nH]cc[nH+]1 ZINC000660142984 420485271 /nfs/dbraw/zinc/48/52/71/420485271.db2.gz NSCQNNSQJUWEBF-LLVKDONJSA-N 2 2 256.350 -0.219 20 0 CBADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](CO)[C@H](O)C1 ZINC000660395545 420490097 /nfs/dbraw/zinc/49/00/97/420490097.db2.gz KFMSBKOFOSCWDZ-RWMBFGLXSA-N 2 2 260.378 -0.637 20 0 CBADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](CO)[C@H](O)C1 ZINC000660395545 420490099 /nfs/dbraw/zinc/49/00/99/420490099.db2.gz KFMSBKOFOSCWDZ-RWMBFGLXSA-N 2 2 260.378 -0.637 20 0 CBADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000660395545 420490101 /nfs/dbraw/zinc/49/01/01/420490101.db2.gz KFMSBKOFOSCWDZ-RWMBFGLXSA-N 2 2 260.378 -0.637 20 0 CBADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000660395545 420490102 /nfs/dbraw/zinc/49/01/02/420490102.db2.gz KFMSBKOFOSCWDZ-RWMBFGLXSA-N 2 2 260.378 -0.637 20 0 CBADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000660441663 420490539 /nfs/dbraw/zinc/49/05/39/420490539.db2.gz XUFMTRTUBPLGBE-FZMZJTMJSA-N 2 2 298.387 -0.639 20 0 CBADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000660441663 420490541 /nfs/dbraw/zinc/49/05/41/420490541.db2.gz XUFMTRTUBPLGBE-FZMZJTMJSA-N 2 2 298.387 -0.639 20 0 CBADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000660441663 420490543 /nfs/dbraw/zinc/49/05/43/420490543.db2.gz XUFMTRTUBPLGBE-FZMZJTMJSA-N 2 2 298.387 -0.639 20 0 CBADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000660441663 420490545 /nfs/dbraw/zinc/49/05/45/420490545.db2.gz XUFMTRTUBPLGBE-FZMZJTMJSA-N 2 2 298.387 -0.639 20 0 CBADLP COC(=O)[C@@H]1CN(c2nc(C)[nH+]c(N)n2)CC[N@H+](C)C1 ZINC000601175949 420492844 /nfs/dbraw/zinc/49/28/44/420492844.db2.gz LZNDJGZUWGJHJY-VIFPVBQESA-N 2 2 280.332 -0.697 20 0 CBADLP COC(=O)[C@@H]1CN(c2nc(C)[nH+]c(N)n2)CC[N@@H+](C)C1 ZINC000601175949 420492845 /nfs/dbraw/zinc/49/28/45/420492845.db2.gz LZNDJGZUWGJHJY-VIFPVBQESA-N 2 2 280.332 -0.697 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH+]2CCC(CCO)CC2)CC1 ZINC000400981424 260129954 /nfs/dbraw/zinc/12/99/54/260129954.db2.gz RZESBPCJHHSVSQ-UHFFFAOYSA-N 2 2 269.389 -0.145 20 0 CBADLP CNC(=O)CCCC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000517936965 260321221 /nfs/dbraw/zinc/32/12/21/260321221.db2.gz FLFQYMOYTYUWIQ-SNVBAGLBSA-N 2 2 256.350 -0.996 20 0 CBADLP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)CN1CC[NH2+]CC1=O ZINC000237874449 269581728 /nfs/dbraw/zinc/58/17/28/269581728.db2.gz SESDUTRIGGCUPI-QWRGUYRKSA-N 2 2 268.361 -0.948 20 0 CBADLP C[C@@H](O)C[NH+]1CCN(c2ncnc3c2C[N@H+](C)CC3)CC1 ZINC000275804107 274272803 /nfs/dbraw/zinc/27/28/03/274272803.db2.gz KORZNFVZABXVKJ-GFCCVEGCSA-N 2 2 291.399 -0.033 20 0 CBADLP C[C@@H](O)C[NH+]1CCN(c2ncnc3c2C[N@@H+](C)CC3)CC1 ZINC000275804107 274272807 /nfs/dbraw/zinc/27/28/07/274272807.db2.gz KORZNFVZABXVKJ-GFCCVEGCSA-N 2 2 291.399 -0.033 20 0 CBADLP Cn1cc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)nn1 ZINC000685191029 545080333 /nfs/dbraw/zinc/08/03/33/545080333.db2.gz AEMGRDINJDDBRN-LLVKDONJSA-N 2 2 292.387 -0.287 20 0 CBADLP Cn1cc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)nn1 ZINC000685191029 545080335 /nfs/dbraw/zinc/08/03/35/545080335.db2.gz AEMGRDINJDDBRN-LLVKDONJSA-N 2 2 292.387 -0.287 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[NH2+]C[C@](C)(F)C2)C1 ZINC000449575731 276205262 /nfs/dbraw/zinc/20/52/62/276205262.db2.gz NXYCNAHGGUNDQF-YPMHNXCESA-N 2 2 273.352 -0.133 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[NH2+]C[C@](C)(F)C2)C1 ZINC000449575731 276205264 /nfs/dbraw/zinc/20/52/64/276205264.db2.gz NXYCNAHGGUNDQF-YPMHNXCESA-N 2 2 273.352 -0.133 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+]C2(C(N)=O)CCCCC2)CC1 ZINC000093199718 276917904 /nfs/dbraw/zinc/91/79/04/276917904.db2.gz KGXAGXLVGYRSOV-UHFFFAOYSA-N 2 2 282.388 -0.462 20 0 CBADLP C[NH2+]C[C@@H](C)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000092136994 277025486 /nfs/dbraw/zinc/02/54/86/277025486.db2.gz ZUCJQVDKJZWIBY-VXGBXAGGSA-N 2 2 255.362 -0.225 20 0 CBADLP CC(=O)N[C@H]1CCCN(C(=O)C[NH2+][C@](C)(C[NH3+])C2CC2)C1 ZINC000430588803 277056813 /nfs/dbraw/zinc/05/68/13/277056813.db2.gz GAXVIUVISSJFQG-DZGCQCFKSA-N 2 2 296.415 -0.170 20 0 CBADLP COCC[C@H](CO)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000302251378 277552836 /nfs/dbraw/zinc/55/28/36/277552836.db2.gz CAIGQEXJWJISMS-SNVBAGLBSA-N 2 2 256.350 -0.027 20 0 CBADLP C[C@@H]1C[C@H](C)CN(C(=O)C[N@H+](C)C[C@H](O)C[NH3+])C1 ZINC000336795399 278000791 /nfs/dbraw/zinc/00/07/91/278000791.db2.gz KHDYJFBXOXHYRO-GRYCIOLGSA-N 2 2 257.378 -0.258 20 0 CBADLP C[C@@H]1C[C@H](C)CN(C(=O)C[N@@H+](C)C[C@H](O)C[NH3+])C1 ZINC000336795399 278000793 /nfs/dbraw/zinc/00/07/93/278000793.db2.gz KHDYJFBXOXHYRO-GRYCIOLGSA-N 2 2 257.378 -0.258 20 0 CBADLP C[C@H]1CCC[N@H+](CCC(=O)N2CC[NH2+]CC2)[C@H]1C[NH3+] ZINC000262103818 278341600 /nfs/dbraw/zinc/34/16/00/278341600.db2.gz MERKJTWECDXILX-STQMWFEESA-N 3 2 268.405 -0.133 20 0 CBADLP C[C@H]1CCC[N@@H+](CCC(=O)N2CC[NH2+]CC2)[C@H]1C[NH3+] ZINC000262103818 278341603 /nfs/dbraw/zinc/34/16/03/278341603.db2.gz MERKJTWECDXILX-STQMWFEESA-N 3 2 268.405 -0.133 20 0 CBADLP CC(C)(C)NC(=O)C[N@@H+]1CCCN(C(=O)CC[NH3+])CC1 ZINC000368796668 278357862 /nfs/dbraw/zinc/35/78/62/278357862.db2.gz FOAWVHKIQCPVJO-UHFFFAOYSA-N 2 2 284.404 -0.216 20 0 CBADLP CC(C)(C)NC(=O)C[N@H+]1CCCN(C(=O)CC[NH3+])CC1 ZINC000368796668 278357864 /nfs/dbraw/zinc/35/78/64/278357864.db2.gz FOAWVHKIQCPVJO-UHFFFAOYSA-N 2 2 284.404 -0.216 20 0 CBADLP C[C@H]1[NH2+]CCC[C@H]1C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000367376569 278512200 /nfs/dbraw/zinc/51/22/00/278512200.db2.gz BPFBKQHTICUHBU-JHJVBQTASA-N 2 2 266.389 -0.510 20 0 CBADLP CC(C)([NH3+])C(=O)NC[C@]1([NH+]2CCOCC2)CCCOC1 ZINC000370770950 278626848 /nfs/dbraw/zinc/62/68/48/278626848.db2.gz FVGNWYJAXHWDIU-CQSZACIVSA-N 2 2 285.388 -0.279 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000358024728 288089887 /nfs/dbraw/zinc/08/98/87/288089887.db2.gz MNMLCHPMZRHWAN-PWSUYJOCSA-N 2 2 275.418 -0.050 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000358024728 288089892 /nfs/dbraw/zinc/08/98/92/288089892.db2.gz MNMLCHPMZRHWAN-PWSUYJOCSA-N 2 2 275.418 -0.050 20 0 CBADLP Cc1cn2c([nH+]1)CC[C@@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C2 ZINC000372672348 279001196 /nfs/dbraw/zinc/00/11/96/279001196.db2.gz CRADMNGIOIRFHG-VXGBXAGGSA-N 2 2 278.356 -0.047 20 0 CBADLP Cc1cn2c([nH+]1)CC[C@@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C2 ZINC000372672348 279001198 /nfs/dbraw/zinc/00/11/98/279001198.db2.gz CRADMNGIOIRFHG-VXGBXAGGSA-N 2 2 278.356 -0.047 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCCN(C)C(=O)C2)CC1 ZINC000191119839 279343203 /nfs/dbraw/zinc/34/32/03/279343203.db2.gz COZCHPLIUNOIOW-CYBMUJFWSA-N 2 2 296.415 -0.297 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCCN(C)C(=O)C2)CC1 ZINC000191119839 279343206 /nfs/dbraw/zinc/34/32/06/279343206.db2.gz COZCHPLIUNOIOW-CYBMUJFWSA-N 2 2 296.415 -0.297 20 0 CBADLP C[C@@H]1C[N@H+](C[C@H]2CCC[NH2+]C2)CCN1S(C)(=O)=O ZINC000346973989 288205023 /nfs/dbraw/zinc/20/50/23/288205023.db2.gz IQDRKZCGJWYRNB-NEPJUHHUSA-N 2 2 275.418 -0.048 20 0 CBADLP C[C@@H]1C[N@@H+](C[C@H]2CCC[NH2+]C2)CCN1S(C)(=O)=O ZINC000346973989 288205025 /nfs/dbraw/zinc/20/50/25/288205025.db2.gz IQDRKZCGJWYRNB-NEPJUHHUSA-N 2 2 275.418 -0.048 20 0 CBADLP CC(C)[C@H](CNC(=O)C1([NH3+])CC1)[NH+]1CCOCC1 ZINC000236654536 280240515 /nfs/dbraw/zinc/24/05/15/280240515.db2.gz NIKGJXZHAJSKBL-NSHDSACASA-N 2 2 255.362 -0.049 20 0 CBADLP CC(C)[C@H](CNC(=O)[C@H](C)[NH3+])[NH+]1CCN(C)CC1 ZINC000040770462 280251133 /nfs/dbraw/zinc/25/11/33/280251133.db2.gz GKNDJSKGRRQDLR-RYUDHWBXSA-N 2 2 256.394 -0.278 20 0 CBADLP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000271146018 280274522 /nfs/dbraw/zinc/27/45/22/280274522.db2.gz YNKZFWJUJGNAFD-AAEUAGOBSA-N 2 2 295.387 -0.265 20 0 CBADLP CC(C)[C@H]([NH3+])CC[N@H+](C)CCNS(C)(=O)=O ZINC000430573827 280282627 /nfs/dbraw/zinc/28/26/27/280282627.db2.gz RITTTZBRHASZTH-SNVBAGLBSA-N 2 2 251.396 -0.159 20 0 CBADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCNS(C)(=O)=O ZINC000430573827 280282629 /nfs/dbraw/zinc/28/26/29/280282629.db2.gz RITTTZBRHASZTH-SNVBAGLBSA-N 2 2 251.396 -0.159 20 0 CBADLP CC(C)[C@H]([NH3+])CNC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000417018880 280285989 /nfs/dbraw/zinc/28/59/89/280285989.db2.gz FXENIHKEYROUNQ-VXGBXAGGSA-N 2 2 272.393 -0.010 20 0 CBADLP CC[C@@H]1CN(C(=O)[C@H]2COCC[NH2+]2)CC[N@@H+]1C[C@H](C)O ZINC000246483570 280378756 /nfs/dbraw/zinc/37/87/56/280378756.db2.gz OUFVFNCKQUODFS-YNEHKIRRSA-N 2 2 285.388 -0.722 20 0 CBADLP CC[C@@H]1CN(C(=O)[C@H]2COCC[NH2+]2)CC[N@H+]1C[C@H](C)O ZINC000246483570 280378759 /nfs/dbraw/zinc/37/87/59/280378759.db2.gz OUFVFNCKQUODFS-YNEHKIRRSA-N 2 2 285.388 -0.722 20 0 CBADLP CC[C@H](C(=O)NC[C@H]1C[NH+]2CCN1CC2)[NH+](C)C ZINC000178974778 280681130 /nfs/dbraw/zinc/68/11/30/280681130.db2.gz DGZSZJXUXXIQEV-NWDGAFQWSA-N 2 2 254.378 -0.557 20 0 CBADLP C[NH+](C)C/C=C\C(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000492141394 282021806 /nfs/dbraw/zinc/02/18/06/282021806.db2.gz YZQAYDWIZRRTOZ-DFPOMNKCSA-N 2 2 253.346 -0.354 20 0 CBADLP C[NH+](C)C/C=C\C(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000492141394 282021808 /nfs/dbraw/zinc/02/18/08/282021808.db2.gz YZQAYDWIZRRTOZ-DFPOMNKCSA-N 2 2 253.346 -0.354 20 0 CBADLP C[NH+](C)C1CC[NH+](CCNC(=O)C[C@@H]2COCC[NH2+]2)CC1 ZINC000262324666 282050874 /nfs/dbraw/zinc/05/08/74/282050874.db2.gz FUHCWPFBJIKFFT-CYBMUJFWSA-N 3 2 298.431 -0.493 20 0 CBADLP C[C@@H]1[C@H](C)N(C(=O)[C@@H]2C[NH+](C)CCO2)CC[N@H+]1C ZINC000356901590 289011015 /nfs/dbraw/zinc/01/10/15/289011015.db2.gz MWRFSOKXLPLJRO-WOPDTQHZSA-N 2 2 255.362 -0.132 20 0 CBADLP C[C@@H]1[C@H](C)N(C(=O)[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1C ZINC000356901590 289011017 /nfs/dbraw/zinc/01/10/17/289011017.db2.gz MWRFSOKXLPLJRO-WOPDTQHZSA-N 2 2 255.362 -0.132 20 0 CBADLP C[C@@H]1[C@H](C)N(C(=O)[C@@H]2C[N@H+](C)CCO2)CC[NH+]1C ZINC000356901590 289011018 /nfs/dbraw/zinc/01/10/18/289011018.db2.gz MWRFSOKXLPLJRO-WOPDTQHZSA-N 2 2 255.362 -0.132 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+](CC(C)(C)O)C2CC2)CC1 ZINC000189913882 290011528 /nfs/dbraw/zinc/01/15/28/290011528.db2.gz KDMZIWSXQPXEAZ-UHFFFAOYSA-N 2 2 269.389 -0.004 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+](CC(C)(C)O)C2CC2)CC1 ZINC000189913882 290011531 /nfs/dbraw/zinc/01/15/31/290011531.db2.gz KDMZIWSXQPXEAZ-UHFFFAOYSA-N 2 2 269.389 -0.004 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCOC[C@@H]2C2CC2)CC1 ZINC000093241266 290011927 /nfs/dbraw/zinc/01/19/27/290011927.db2.gz DLVBLOGDAGYDSH-CYBMUJFWSA-N 2 2 267.373 -0.129 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CCOC[C@@H]2C2CC2)CC1 ZINC000093241266 290011930 /nfs/dbraw/zinc/01/19/30/290011930.db2.gz DLVBLOGDAGYDSH-CYBMUJFWSA-N 2 2 267.373 -0.129 20 0 CBADLP C[N@@H+]1CCO[C@H](CNC(=O)N2CC[NH2+]C[C@@](C)(F)C2)C1 ZINC000333518325 290108294 /nfs/dbraw/zinc/10/82/94/290108294.db2.gz GJBSHGYOGWRDFV-DGCLKSJQSA-N 2 2 288.367 -0.340 20 0 CBADLP C[N@H+]1CCO[C@H](CNC(=O)N2CC[NH2+]C[C@@](C)(F)C2)C1 ZINC000333518325 290108295 /nfs/dbraw/zinc/10/82/95/290108295.db2.gz GJBSHGYOGWRDFV-DGCLKSJQSA-N 2 2 288.367 -0.340 20 0 CBADLP Cn1cc[nH+]c1N1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC000266956450 294411941 /nfs/dbraw/zinc/41/19/41/294411941.db2.gz VSCOXDMJKVEXJK-LLVKDONJSA-N 2 2 263.345 -0.227 20 0 CBADLP C[C@](C[NH3+])([NH2+]CC(=O)NC[C@@H]1CCCO1)C1CC1 ZINC000576280308 335181933 /nfs/dbraw/zinc/18/19/33/335181933.db2.gz IVRIIVWUVJDILQ-WCQYABFASA-N 2 2 255.362 -0.001 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118843572 298132322 /nfs/dbraw/zinc/13/23/22/298132322.db2.gz METGSSYEXKDGGU-NXEZZACHSA-N 2 2 256.350 -0.157 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118843572 298132325 /nfs/dbraw/zinc/13/23/25/298132325.db2.gz METGSSYEXKDGGU-NXEZZACHSA-N 2 2 256.350 -0.157 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118843572 298132326 /nfs/dbraw/zinc/13/23/26/298132326.db2.gz METGSSYEXKDGGU-NXEZZACHSA-N 2 2 256.350 -0.157 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118843572 298132329 /nfs/dbraw/zinc/13/23/29/298132329.db2.gz METGSSYEXKDGGU-NXEZZACHSA-N 2 2 256.350 -0.157 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[N@H+](C)CCC[NH+]1CCCC1 ZINC000337233506 298132674 /nfs/dbraw/zinc/13/26/74/298132674.db2.gz WNNWSRJYOUBZLR-SNVBAGLBSA-N 2 2 256.350 -0.013 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337233506 298132675 /nfs/dbraw/zinc/13/26/75/298132675.db2.gz WNNWSRJYOUBZLR-SNVBAGLBSA-N 2 2 256.350 -0.013 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000331519041 298134563 /nfs/dbraw/zinc/13/45/63/298134563.db2.gz CJYUXEWUVZPTCL-ZWNOBZJWSA-N 2 2 268.361 -0.013 20 0 CBADLP C[C@H](NC(=O)C[N@H+](C)C1CC[NH2+]CC1)C(=O)N(C)C ZINC000430600258 299047699 /nfs/dbraw/zinc/04/76/99/299047699.db2.gz GYPKSTMAVNSTCO-JTQLQIEISA-N 2 2 270.377 -0.737 20 0 CBADLP C[C@H](NC(=O)C[N@@H+](C)C1CC[NH2+]CC1)C(=O)N(C)C ZINC000430600258 299047702 /nfs/dbraw/zinc/04/77/02/299047702.db2.gz GYPKSTMAVNSTCO-JTQLQIEISA-N 2 2 270.377 -0.737 20 0 CBADLP C[C@H](NC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1)C(=O)N(C)C ZINC000123514139 299049516 /nfs/dbraw/zinc/04/95/16/299049516.db2.gz AQPVAKKMBJZILY-AVGNSLFASA-N 2 2 298.431 -0.006 20 0 CBADLP C[C@H](NC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1)C(=O)N(C)C ZINC000123514139 299049520 /nfs/dbraw/zinc/04/95/20/299049520.db2.gz AQPVAKKMBJZILY-AVGNSLFASA-N 2 2 298.431 -0.006 20 0 CBADLP C[C@H](NC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(=O)N(C)C ZINC000123514139 299049523 /nfs/dbraw/zinc/04/95/23/299049523.db2.gz AQPVAKKMBJZILY-AVGNSLFASA-N 2 2 298.431 -0.006 20 0 CBADLP C[C@H](NC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(=O)N(C)C ZINC000123514139 299049527 /nfs/dbraw/zinc/04/95/27/299049527.db2.gz AQPVAKKMBJZILY-AVGNSLFASA-N 2 2 298.431 -0.006 20 0 CBADLP C[C@H](NC(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1)C(=O)N(C)C ZINC000351500210 299056777 /nfs/dbraw/zinc/05/67/77/299056777.db2.gz WVZZEPVNHNWAFW-BJDJZHNGSA-N 2 2 282.388 -0.752 20 0 CBADLP C[C@H](NC(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1)C(=O)N(C)C ZINC000351500210 299056779 /nfs/dbraw/zinc/05/67/79/299056779.db2.gz WVZZEPVNHNWAFW-BJDJZHNGSA-N 2 2 282.388 -0.752 20 0 CBADLP C[C@H]1CN(C(=O)[C@@H]2CC[NH2+]C2)C[C@H]1[NH+]1CCOCC1 ZINC000178862202 300167621 /nfs/dbraw/zinc/16/76/21/300167621.db2.gz KLYGZHBWXUPKCB-YNEHKIRRSA-N 2 2 267.373 -0.225 20 0 CBADLP C[C@H]1CN(C(=O)[C@H]2CC[NH2+]2)C[C@H]1[NH+]1CCOCC1 ZINC000444264122 300177478 /nfs/dbraw/zinc/17/74/78/300177478.db2.gz IRFSBCUNHPDWTD-QJPTWQEYSA-N 2 2 253.346 -0.473 20 0 CBADLP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000362866296 300224019 /nfs/dbraw/zinc/22/40/19/300224019.db2.gz ICOGGJLWYFGGGU-NWDGAFQWSA-N 2 2 296.415 -0.408 20 0 CBADLP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000362866296 300224021 /nfs/dbraw/zinc/22/40/21/300224021.db2.gz ICOGGJLWYFGGGU-NWDGAFQWSA-N 2 2 296.415 -0.408 20 0 CBADLP [NH3+]Cc1ccc(C(=O)NC[C@H]2C[NH+]3CCN2CC3)cc1 ZINC000186474037 303431989 /nfs/dbraw/zinc/43/19/89/303431989.db2.gz WWYXTMKWGHFNQG-AWEZNQCLSA-N 2 2 274.368 -0.125 20 0 CBADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]C[C@@]2(C)CCC(=O)N2)C[C@@H](C)O1 ZINC000563000789 327741210 /nfs/dbraw/zinc/74/12/10/327741210.db2.gz NKTFVYNLYZZRAA-RGCMKSIDSA-N 2 2 299.415 -0.285 20 0 CBADLP COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000563348069 328056730 /nfs/dbraw/zinc/05/67/30/328056730.db2.gz HCPIPOLETONONS-HBNTYKKESA-N 2 2 286.376 -0.341 20 0 CBADLP COC[C@H](C)NC(=O)NC(=O)C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000563348069 328056731 /nfs/dbraw/zinc/05/67/31/328056731.db2.gz HCPIPOLETONONS-HBNTYKKESA-N 2 2 286.376 -0.341 20 0 CBADLP COCCN1C(=O)C[C@@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)C1=O ZINC000563348699 328056487 /nfs/dbraw/zinc/05/64/87/328056487.db2.gz MNGYZIPDCCVTEL-NWDGAFQWSA-N 2 2 283.372 -0.308 20 0 CBADLP COCCN1C(=O)C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)C1=O ZINC000563348699 328056489 /nfs/dbraw/zinc/05/64/89/328056489.db2.gz MNGYZIPDCCVTEL-NWDGAFQWSA-N 2 2 283.372 -0.308 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N(C)CCC[NH3+] ZINC000563455157 328067491 /nfs/dbraw/zinc/06/74/91/328067491.db2.gz SRTFOHSMNMKFSB-SNVBAGLBSA-N 2 2 267.333 -0.805 20 0 CBADLP COCCOC[C@@H](O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000563545408 328072528 /nfs/dbraw/zinc/07/25/28/328072528.db2.gz NABXIVSVVYENSN-LBPRGKRZSA-N 2 2 284.360 -0.444 20 0 CBADLP COC(=O)CCC[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000571316029 328104903 /nfs/dbraw/zinc/10/49/03/328104903.db2.gz SFGQEKZPLKGOEX-XQQFMLRXSA-N 2 2 288.388 -0.001 20 0 CBADLP COC(=O)CCC[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000571316029 328104905 /nfs/dbraw/zinc/10/49/05/328104905.db2.gz SFGQEKZPLKGOEX-XQQFMLRXSA-N 2 2 288.388 -0.001 20 0 CBADLP COC(=O)CCC[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000571316027 328104909 /nfs/dbraw/zinc/10/49/09/328104909.db2.gz SFGQEKZPLKGOEX-FRRDWIJNSA-N 2 2 288.388 -0.001 20 0 CBADLP COC(=O)CCC[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000571316027 328104911 /nfs/dbraw/zinc/10/49/11/328104911.db2.gz SFGQEKZPLKGOEX-FRRDWIJNSA-N 2 2 288.388 -0.001 20 0 CBADLP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000571315314 328104336 /nfs/dbraw/zinc/10/43/36/328104336.db2.gz FLLQNYNIMCMKAO-PMPSAXMXSA-N 3 2 296.459 -0.189 20 0 CBADLP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000571315314 328104337 /nfs/dbraw/zinc/10/43/37/328104337.db2.gz FLLQNYNIMCMKAO-PMPSAXMXSA-N 3 2 296.459 -0.189 20 0 CBADLP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000571315311 328104395 /nfs/dbraw/zinc/10/43/95/328104395.db2.gz FLLQNYNIMCMKAO-OAGGEKHMSA-N 3 2 296.459 -0.189 20 0 CBADLP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000571315311 328104397 /nfs/dbraw/zinc/10/43/97/328104397.db2.gz FLLQNYNIMCMKAO-OAGGEKHMSA-N 3 2 296.459 -0.189 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)CCNC(C)=O)CC1 ZINC000571520213 328131762 /nfs/dbraw/zinc/13/17/62/328131762.db2.gz IWNAPIKIYNMGJJ-LBPRGKRZSA-N 2 2 284.404 -0.393 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)CCNC(C)=O)CC1 ZINC000571520213 328131763 /nfs/dbraw/zinc/13/17/63/328131763.db2.gz IWNAPIKIYNMGJJ-LBPRGKRZSA-N 2 2 284.404 -0.393 20 0 CBADLP O=C1CNC(=O)N1CCC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000571578135 328134839 /nfs/dbraw/zinc/13/48/39/328134839.db2.gz FRBSBGCWQJNIBH-UHFFFAOYSA-N 2 2 292.343 -0.526 20 0 CBADLP CC[NH2+]CCCNC(=O)C(=O)N1CC[NH+](CC)CC1 ZINC000557310474 327001386 /nfs/dbraw/zinc/00/13/86/327001386.db2.gz LPLPXCPOKCMXRO-UHFFFAOYSA-N 2 2 270.377 -0.734 20 0 CBADLP C[NH+](C)CCNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000557376539 327003287 /nfs/dbraw/zinc/00/32/87/327003287.db2.gz GLLFWFMCIVLIFA-UHFFFAOYSA-N 2 2 275.312 -0.049 20 0 CBADLP CO[C@H](CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])C(C)C ZINC000576492206 327033715 /nfs/dbraw/zinc/03/37/15/327033715.db2.gz BLHJISCMTCCVEL-NWDGAFQWSA-N 2 2 272.393 -0.058 20 0 CBADLP CO[C@H](CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])C(C)C ZINC000576492206 327033716 /nfs/dbraw/zinc/03/37/16/327033716.db2.gz BLHJISCMTCCVEL-NWDGAFQWSA-N 2 2 272.393 -0.058 20 0 CBADLP Cn1ncc2c1C[C@H](C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])CC2 ZINC000565891587 327080281 /nfs/dbraw/zinc/08/02/81/327080281.db2.gz SGCNNWVNDFHVPH-YPMHNXCESA-N 2 2 291.399 -0.374 20 0 CBADLP CO[C@@H](C[NH3+])C(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000564448854 327089549 /nfs/dbraw/zinc/08/95/49/327089549.db2.gz SZKPMHKWBLCPNW-ZDUSSCGKSA-N 2 2 295.387 -0.572 20 0 CBADLP CO[C@@H](C[NH3+])C(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000564448854 327089550 /nfs/dbraw/zinc/08/95/50/327089550.db2.gz SZKPMHKWBLCPNW-ZDUSSCGKSA-N 2 2 295.387 -0.572 20 0 CBADLP CC(C)(C)NC(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000573267555 327131068 /nfs/dbraw/zinc/13/10/68/327131068.db2.gz LRSRDIIHDMZWRX-NXEZZACHSA-N 2 2 268.361 -0.855 20 0 CBADLP CC(C)(C)NC(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000573267555 327131069 /nfs/dbraw/zinc/13/10/69/327131069.db2.gz LRSRDIIHDMZWRX-NXEZZACHSA-N 2 2 268.361 -0.855 20 0 CBADLP CC(=O)NCCCCCC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000569487223 327185529 /nfs/dbraw/zinc/18/55/29/327185529.db2.gz LMTWAJFNRBKJRW-CYBMUJFWSA-N 2 2 284.404 -0.216 20 0 CBADLP CC(=O)NCCCCCC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000569487223 327185531 /nfs/dbraw/zinc/18/55/31/327185531.db2.gz LMTWAJFNRBKJRW-CYBMUJFWSA-N 2 2 284.404 -0.216 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N(C)CCC[NH3+] ZINC000569592527 327202139 /nfs/dbraw/zinc/20/21/39/327202139.db2.gz DRCMUVQCSWDHFI-NSHDSACASA-N 2 2 258.366 -0.303 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)N(C)CCC[NH3+] ZINC000569592527 327202141 /nfs/dbraw/zinc/20/21/41/327202141.db2.gz DRCMUVQCSWDHFI-NSHDSACASA-N 2 2 258.366 -0.303 20 0 CBADLP C[NH2+][C@@H](C(=O)N1CC[NH2+]C[C@@](C)(F)C1)c1cnn(C)c1 ZINC000584290716 327222996 /nfs/dbraw/zinc/22/29/96/327222996.db2.gz AOHGDQAVQVLDBH-DGCLKSJQSA-N 2 2 283.351 -0.159 20 0 CBADLP CC(=O)N1CCC[C@@H]1C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000577373913 327259232 /nfs/dbraw/zinc/25/92/32/327259232.db2.gz XRYIFTRMVUQREO-NWDGAFQWSA-N 2 2 268.361 -0.901 20 0 CBADLP CC(=O)N1CCC[C@@H]1C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000577373913 327259233 /nfs/dbraw/zinc/25/92/33/327259233.db2.gz XRYIFTRMVUQREO-NWDGAFQWSA-N 2 2 268.361 -0.901 20 0 CBADLP C[NH+](C)C[C@@H](O)C[NH2+]C[C@H](O)COc1ccccc1 ZINC000578070168 327298092 /nfs/dbraw/zinc/29/80/92/327298092.db2.gz JYGBLBYBKAAFHM-STQMWFEESA-N 2 2 268.357 -0.062 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@](C)(C(=O)OC)C1 ZINC000560466118 327311650 /nfs/dbraw/zinc/31/16/50/327311650.db2.gz QIFWDQZXZUVCGD-TZMCWYRMSA-N 2 2 288.388 -0.190 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@](C)(C(=O)OC)C1 ZINC000560466118 327311651 /nfs/dbraw/zinc/31/16/51/327311651.db2.gz QIFWDQZXZUVCGD-TZMCWYRMSA-N 2 2 288.388 -0.190 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@](C)(C(=O)OC)C1 ZINC000560466118 327311653 /nfs/dbraw/zinc/31/16/53/327311653.db2.gz QIFWDQZXZUVCGD-TZMCWYRMSA-N 2 2 288.388 -0.190 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@](C)(C(=O)OC)C1 ZINC000560466118 327311655 /nfs/dbraw/zinc/31/16/55/327311655.db2.gz QIFWDQZXZUVCGD-TZMCWYRMSA-N 2 2 288.388 -0.190 20 0 CBADLP COC(=O)C[C@H]([NH3+])C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000583383889 327336727 /nfs/dbraw/zinc/33/67/27/327336727.db2.gz XOOSHNNCGAJWIM-UWVGGRQHSA-N 2 2 268.317 -0.474 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000574530249 327343690 /nfs/dbraw/zinc/34/36/90/327343690.db2.gz VNBFKYYIYYLDTE-VXGBXAGGSA-N 2 2 293.433 -0.701 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000574530249 327343691 /nfs/dbraw/zinc/34/36/91/327343691.db2.gz VNBFKYYIYYLDTE-VXGBXAGGSA-N 2 2 293.433 -0.701 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000574530249 327343692 /nfs/dbraw/zinc/34/36/92/327343692.db2.gz VNBFKYYIYYLDTE-VXGBXAGGSA-N 2 2 293.433 -0.701 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000574530249 327343693 /nfs/dbraw/zinc/34/36/93/327343693.db2.gz VNBFKYYIYYLDTE-VXGBXAGGSA-N 2 2 293.433 -0.701 20 0 CBADLP CO[C@@H](C)CCNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000561155963 327369914 /nfs/dbraw/zinc/36/99/14/327369914.db2.gz LJKMLHMUXCVICQ-QWRGUYRKSA-N 2 2 258.366 -0.304 20 0 CBADLP CO[C@@H](C)CCNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000561155963 327369915 /nfs/dbraw/zinc/36/99/15/327369915.db2.gz LJKMLHMUXCVICQ-QWRGUYRKSA-N 2 2 258.366 -0.304 20 0 CBADLP CC[C@@H]1CN(C(=O)[C@H](C[NH3+])OC)C[C@@H]1[NH+]1CCOCC1 ZINC000564564158 327527634 /nfs/dbraw/zinc/52/76/34/327527634.db2.gz MWPGDPHIFADGHC-AGIUHOORSA-N 2 2 285.388 -0.471 20 0 CBADLP C[C@@H](C(=O)NC[C@@](C)(O)C[NH+]1CCOCC1)[NH+]1CC(C)C1 ZINC000570581032 327601746 /nfs/dbraw/zinc/60/17/46/327601746.db2.gz BVKLHPPMGOSLOD-DZGCQCFKSA-N 2 2 299.415 -0.474 20 0 CBADLP C[N@H+](C[C@H](O)C[NH2+]CC1(S(C)(=O)=O)CC1)C1CC1 ZINC000393705254 329088945 /nfs/dbraw/zinc/08/89/45/329088945.db2.gz KEBXDFUIFJCMKR-LLVKDONJSA-N 2 2 276.402 -0.392 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH2+]CC1(S(C)(=O)=O)CC1)C1CC1 ZINC000393705254 329088946 /nfs/dbraw/zinc/08/89/46/329088946.db2.gz KEBXDFUIFJCMKR-LLVKDONJSA-N 2 2 276.402 -0.392 20 0 CBADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC[C@@H](O)C[NH+]1CCOCC1 ZINC000582840625 329276686 /nfs/dbraw/zinc/27/66/86/329276686.db2.gz DNADXUVKQKQYMM-YUELXQCFSA-N 2 2 283.416 -0.248 20 0 CBADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC[C@@H](O)C[NH+]1CCOCC1 ZINC000582840625 329276688 /nfs/dbraw/zinc/27/66/88/329276688.db2.gz DNADXUVKQKQYMM-YUELXQCFSA-N 2 2 283.416 -0.248 20 0 CBADLP C[C@@H]1CCCN(CC[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)C1 ZINC000582840380 329276765 /nfs/dbraw/zinc/27/67/65/329276765.db2.gz ULDXTQNXLGCBPP-CVEARBPZSA-N 2 2 298.475 -0.084 20 0 CBADLP C[C@@H]1CCC[N@H+](CCNC[C@H](O)C[NH+]2CCN(C)CC2)C1 ZINC000582840380 329276766 /nfs/dbraw/zinc/27/67/66/329276766.db2.gz ULDXTQNXLGCBPP-CVEARBPZSA-N 2 2 298.475 -0.084 20 0 CBADLP C[C@@H]1CCC[N@@H+](CCNC[C@H](O)C[NH+]2CCN(C)CC2)C1 ZINC000582840380 329276767 /nfs/dbraw/zinc/27/67/67/329276767.db2.gz ULDXTQNXLGCBPP-CVEARBPZSA-N 2 2 298.475 -0.084 20 0 CBADLP C[N@@H+]1CCN(C(=O)NC[C@@H]2CCC[NH2+]2)[C@@H](C[NH3+])C1 ZINC000582894794 329282231 /nfs/dbraw/zinc/28/22/31/329282231.db2.gz POCXMSLSSWLTAH-QWRGUYRKSA-N 3 2 255.366 -0.977 20 0 CBADLP C[N@H+]1CCN(C(=O)NC[C@@H]2CCC[NH2+]2)[C@@H](C[NH3+])C1 ZINC000582894794 329282232 /nfs/dbraw/zinc/28/22/32/329282232.db2.gz POCXMSLSSWLTAH-QWRGUYRKSA-N 3 2 255.366 -0.977 20 0 CBADLP CCOC[C@@H](O)C[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000582905063 329284075 /nfs/dbraw/zinc/28/40/75/329284075.db2.gz AMPJJPQLLZKEFS-STQMWFEESA-N 2 2 260.378 -0.180 20 0 CBADLP CCOC[C@@H](O)C[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000582905063 329284076 /nfs/dbraw/zinc/28/40/76/329284076.db2.gz AMPJJPQLLZKEFS-STQMWFEESA-N 2 2 260.378 -0.180 20 0 CBADLP Cc1nccc(CCC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])n1 ZINC000583203552 329362875 /nfs/dbraw/zinc/36/28/75/329362875.db2.gz DNOSQKXRVPMAGQ-ZDUSSCGKSA-N 2 2 277.372 -0.181 20 0 CBADLP Cc1nccc(CCC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])n1 ZINC000583203552 329362877 /nfs/dbraw/zinc/36/28/77/329362877.db2.gz DNOSQKXRVPMAGQ-ZDUSSCGKSA-N 2 2 277.372 -0.181 20 0 CBADLP C[N@H+](CCC(=O)N1CC[NH2+]CC1)[C@@H](C[NH3+])C1CC1 ZINC000583204467 329363655 /nfs/dbraw/zinc/36/36/55/329363655.db2.gz WFDYIYCUOYPZPU-LBPRGKRZSA-N 3 2 254.378 -0.523 20 0 CBADLP C[N@@H+](CCC(=O)N1CC[NH2+]CC1)[C@@H](C[NH3+])C1CC1 ZINC000583204467 329363657 /nfs/dbraw/zinc/36/36/57/329363657.db2.gz WFDYIYCUOYPZPU-LBPRGKRZSA-N 3 2 254.378 -0.523 20 0 CBADLP C[C@H](C[NH3+])CNC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000572241816 329960597 /nfs/dbraw/zinc/96/05/97/329960597.db2.gz IOUPLRZNRDOBQK-SECBINFHSA-N 2 2 260.301 -0.013 20 0 CBADLP CC(C)N(C(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)C(C)C ZINC000572424301 330067648 /nfs/dbraw/zinc/06/76/48/330067648.db2.gz CYYTUTVLHQVUGG-CHWSQXEVSA-N 2 2 296.415 -0.124 20 0 CBADLP CC(C)N(C(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)C(C)C ZINC000572424301 330067649 /nfs/dbraw/zinc/06/76/49/330067649.db2.gz CYYTUTVLHQVUGG-CHWSQXEVSA-N 2 2 296.415 -0.124 20 0 CBADLP COCCOCCC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000162618821 330087230 /nfs/dbraw/zinc/08/72/30/330087230.db2.gz GGRSZDMIHFYOIL-LLVKDONJSA-N 2 2 259.350 -0.859 20 0 CBADLP COCCOCCC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000162618821 330087232 /nfs/dbraw/zinc/08/72/32/330087232.db2.gz GGRSZDMIHFYOIL-LLVKDONJSA-N 2 2 259.350 -0.859 20 0 CBADLP COC(=O)C[C@H]1C(=O)NCC[N@H+]1CCCn1cc[nH+]c1 ZINC000182662818 533710978 /nfs/dbraw/zinc/71/09/78/533710978.db2.gz CAVSGMVFHCLPGU-NSHDSACASA-N 2 2 280.328 -0.363 20 0 CBADLP COC(=O)C[C@H]1C(=O)NCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000182662818 533710989 /nfs/dbraw/zinc/71/09/89/533710989.db2.gz CAVSGMVFHCLPGU-NSHDSACASA-N 2 2 280.328 -0.363 20 0 CBADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000553094014 334361077 /nfs/dbraw/zinc/36/10/77/334361077.db2.gz SOUBMWKQNMEAMS-GXTWGEPZSA-N 2 2 291.399 -0.193 20 0 CBADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000553094014 334361078 /nfs/dbraw/zinc/36/10/78/334361078.db2.gz SOUBMWKQNMEAMS-GXTWGEPZSA-N 2 2 291.399 -0.193 20 0 CBADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000553094015 334361124 /nfs/dbraw/zinc/36/11/24/334361124.db2.gz SOUBMWKQNMEAMS-JSGCOSHPSA-N 2 2 291.399 -0.193 20 0 CBADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000553094015 334361126 /nfs/dbraw/zinc/36/11/26/334361126.db2.gz SOUBMWKQNMEAMS-JSGCOSHPSA-N 2 2 291.399 -0.193 20 0 CBADLP [NH3+][C@H]1C[C@H]2CN(C(=O)c3ccc4[nH+]ccn4c3)CCN2C1=O ZINC000568901551 334845969 /nfs/dbraw/zinc/84/59/69/334845969.db2.gz AOYJINNKLWXXEX-RYUDHWBXSA-N 2 2 299.334 -0.282 20 0 CBADLP CN1CC[NH+](CCCCC[N@H+]2CCN(C)C(=O)C2)CC1=O ZINC000172659498 335115880 /nfs/dbraw/zinc/11/58/80/335115880.db2.gz UFMMJAUZTXBZRF-UHFFFAOYSA-N 2 2 296.415 -0.295 20 0 CBADLP CN1CC[NH+](CCCCC[N@@H+]2CCN(C)C(=O)C2)CC1=O ZINC000172659498 335115883 /nfs/dbraw/zinc/11/58/83/335115883.db2.gz UFMMJAUZTXBZRF-UHFFFAOYSA-N 2 2 296.415 -0.295 20 0 CBADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+][C@@H]2CCC[C@H]2O)C[C@H](C)O1 ZINC000575803436 335116839 /nfs/dbraw/zinc/11/68/39/335116839.db2.gz NEHCLSQVBQPLLN-MEBFFEOJSA-N 2 2 272.389 -0.041 20 0 CBADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+][C@@H]2CCC[C@H]2O)C[C@H](C)O1 ZINC000575803436 335116841 /nfs/dbraw/zinc/11/68/41/335116841.db2.gz NEHCLSQVBQPLLN-MEBFFEOJSA-N 2 2 272.389 -0.041 20 0 CBADLP CC(C)[NH2+]C1(CO)CC[NH+](CCOCCO)CC1 ZINC000575812564 335118337 /nfs/dbraw/zinc/11/83/37/335118337.db2.gz NNNVXCGTCZGAGE-UHFFFAOYSA-N 2 2 260.378 -0.180 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(O)(COC)CC1 ZINC000576000031 335140317 /nfs/dbraw/zinc/14/03/17/335140317.db2.gz SFKXGLXUOGWYQG-GFCCVEGCSA-N 2 2 260.378 -0.228 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(O)(COC)CC1 ZINC000576000031 335140318 /nfs/dbraw/zinc/14/03/18/335140318.db2.gz SFKXGLXUOGWYQG-GFCCVEGCSA-N 2 2 260.378 -0.228 20 0 CBADLP C[C@@H](C(=O)N1CCC[NH2+]CC1)[NH+]1CCN(C)CC1 ZINC000576040439 335144374 /nfs/dbraw/zinc/14/43/74/335144374.db2.gz FYHLOPNGJYUFEW-LBPRGKRZSA-N 2 2 254.378 -0.556 20 0 CBADLP NC(=O)NC(=O)CC[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000564329263 334112360 /nfs/dbraw/zinc/11/23/60/334112360.db2.gz RHVXPIGKBSYYFP-SNVBAGLBSA-N 2 2 272.349 -0.992 20 0 CBADLP NC(=O)NC(=O)CC[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000564329263 334112361 /nfs/dbraw/zinc/11/23/61/334112361.db2.gz RHVXPIGKBSYYFP-SNVBAGLBSA-N 2 2 272.349 -0.992 20 0 CBADLP CO[C@H](C[NH3+])CC(=O)NCCNc1cccc[nH+]1 ZINC000564915409 334528019 /nfs/dbraw/zinc/52/80/19/334528019.db2.gz MVGUIRCSLWCHRA-JTQLQIEISA-N 2 2 252.318 -0.027 20 0 CBADLP C[NH+](C)[C@H]1CN(C(=O)C[NH+]2CC(C)(C)C2)C[C@@H]1O ZINC000565195331 334544115 /nfs/dbraw/zinc/54/41/15/334544115.db2.gz JNUZHJTYVXHDBQ-QWRGUYRKSA-N 2 2 255.362 -0.539 20 0 CBADLP C[NH+](C)CCN1C(=O)C[C@@H]([NH2+]Cc2ccncn2)C1=O ZINC000565370182 334557068 /nfs/dbraw/zinc/55/70/68/334557068.db2.gz JXUWOQZHTZJNLA-LLVKDONJSA-N 2 2 277.328 -0.745 20 0 CBADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@@H]2CC[C@H](C(N)=O)C2)C[C@@H](C)O1 ZINC000565829005 334600357 /nfs/dbraw/zinc/60/03/57/334600357.db2.gz PWWBAAMALNWWEA-RKQHYHRCSA-N 2 2 299.415 -0.300 20 0 CBADLP C[NH+]1CCN(C(=O)CN2CCN(c3[nH]cc[nH+]3)CC2)CC1 ZINC000566417055 334647037 /nfs/dbraw/zinc/64/70/37/334647037.db2.gz VZDCKZULYJXZLF-UHFFFAOYSA-N 2 2 292.387 -0.694 20 0 CBADLP CNC(=O)CCC[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000566732656 334662011 /nfs/dbraw/zinc/66/20/11/334662011.db2.gz GKIDDHSBQQSQPG-UPJWGTAASA-N 2 2 287.404 -0.428 20 0 CBADLP [NH3+]CCCn1cc(C(=O)N2CC[NH+](C3CC3)CC2)nn1 ZINC000567782885 334760535 /nfs/dbraw/zinc/76/05/35/334760535.db2.gz FICQKQPAZGFZSO-UHFFFAOYSA-N 2 2 278.360 -0.453 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)NCCCCn1cc[nH+]c1 ZINC000567786721 334760794 /nfs/dbraw/zinc/76/07/94/334760794.db2.gz BNSAPMXWGBWAHX-UHFFFAOYSA-N 2 2 279.344 -0.789 20 0 CBADLP [NH3+]CC(F)(F)CC(=O)NCC[NH+]1CCOCC1 ZINC000568149208 334796594 /nfs/dbraw/zinc/79/65/94/334796594.db2.gz DUPUMSDBPLFLDK-UHFFFAOYSA-N 2 2 251.277 -0.581 20 0 CBADLP COCC[NH2+]C1CC[NH+](CCN2C(=O)CCC2=O)CC1 ZINC000569108030 334855657 /nfs/dbraw/zinc/85/56/57/334855657.db2.gz FCUJUXOEXITFIZ-UHFFFAOYSA-N 2 2 283.372 -0.164 20 0 CBADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C[NH2+]C2CC2)CC1 ZINC000572838994 334882821 /nfs/dbraw/zinc/88/28/21/334882821.db2.gz YPLPLULCUGCRBE-LLVKDONJSA-N 2 2 283.372 -0.166 20 0 CBADLP C[C@H](CC(=O)NC[C@H]1C[NH2+]CCO1)n1cc[nH+]c1 ZINC000576355990 335193540 /nfs/dbraw/zinc/19/35/40/335193540.db2.gz WVKUZYNRXLXUKL-GHMZBOCLSA-N 2 2 252.318 -0.061 20 0 CBADLP CCOC(=O)C[N@@H+]1CCCN(C(=O)CCC[NH3+])CC1 ZINC000576397565 335198233 /nfs/dbraw/zinc/19/82/33/335198233.db2.gz TYMWQZUUIVCXAT-UHFFFAOYSA-N 2 2 271.361 -0.177 20 0 CBADLP CCOC(=O)C[N@H+]1CCCN(C(=O)CCC[NH3+])CC1 ZINC000576397565 335198234 /nfs/dbraw/zinc/19/82/34/335198234.db2.gz TYMWQZUUIVCXAT-UHFFFAOYSA-N 2 2 271.361 -0.177 20 0 CBADLP COCC[C@H](CO)[NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000576517730 335213757 /nfs/dbraw/zinc/21/37/57/335213757.db2.gz OYBDCMHVJBQFJN-FQUUOJAGSA-N 2 2 290.404 -0.557 20 0 CBADLP Cc1noc(CCCC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])n1 ZINC000576986004 335273728 /nfs/dbraw/zinc/27/37/28/335273728.db2.gz HWOFGXSZGHZOHC-NSHDSACASA-N 2 2 281.360 -0.198 20 0 CBADLP O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000580658808 335314694 /nfs/dbraw/zinc/31/46/94/335314694.db2.gz FNNACUPEZZCELX-QWRGUYRKSA-N 2 2 291.355 -0.406 20 0 CBADLP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCCCCn1cc[nH+]c1 ZINC000577175417 335315953 /nfs/dbraw/zinc/31/59/53/335315953.db2.gz WQWMRBBEZPYAKN-LBPRGKRZSA-N 2 2 293.371 -0.352 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000577205005 335321963 /nfs/dbraw/zinc/32/19/63/335321963.db2.gz VPTZEJUETDNGQP-UHFFFAOYSA-N 2 2 293.371 -0.805 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000577395573 335347871 /nfs/dbraw/zinc/34/78/71/335347871.db2.gz RBUURNWRFGJFGT-QWHCGFSZSA-N 2 2 298.431 -0.114 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000577395573 335347873 /nfs/dbraw/zinc/34/78/73/335347873.db2.gz RBUURNWRFGJFGT-QWHCGFSZSA-N 2 2 298.431 -0.114 20 0 CBADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+][C@@H]2C=C[C@H](CO)C2)C[C@H](C)O1 ZINC000577396768 335348127 /nfs/dbraw/zinc/34/81/27/335348127.db2.gz ZQPRXKOXJWYZSW-XPABHHOTSA-N 2 2 284.400 -0.017 20 0 CBADLP C[C@H](C[C@H](C)[NH3+])NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000577489230 335355109 /nfs/dbraw/zinc/35/51/09/335355109.db2.gz QVTAEKNCQORZAS-AXFHLTTASA-N 3 2 257.382 -0.604 20 0 CBADLP C[C@H](C[C@H](C)[NH3+])NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000577489230 335355110 /nfs/dbraw/zinc/35/51/10/335355110.db2.gz QVTAEKNCQORZAS-AXFHLTTASA-N 3 2 257.382 -0.604 20 0 CBADLP Cn1cc[nH+]c1CN1CCN(C(=O)CCC[NH3+])CC1 ZINC000577489831 335358121 /nfs/dbraw/zinc/35/81/21/335358121.db2.gz ZKCFUKHSSKYAFA-UHFFFAOYSA-N 2 2 265.361 -0.197 20 0 CBADLP C[N@H+](C[C@H](O)C[NH2+]CCC[NH+]1CCC(O)CC1)C1CC1 ZINC000577493175 335359000 /nfs/dbraw/zinc/35/90/00/335359000.db2.gz WIZXFAHCGPLDQX-OAHLLOKOSA-N 3 2 285.432 -0.122 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH2+]CCC[NH+]1CCC(O)CC1)C1CC1 ZINC000577493175 335359002 /nfs/dbraw/zinc/35/90/02/335359002.db2.gz WIZXFAHCGPLDQX-OAHLLOKOSA-N 3 2 285.432 -0.122 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)C[C@@H]2CSCC[NH2+]2)CCO1 ZINC000577637338 335384436 /nfs/dbraw/zinc/38/44/36/335384436.db2.gz RUJOTHZBVMJVDY-VXGBXAGGSA-N 2 2 287.429 -0.082 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)C[C@@H]2CSCC[NH2+]2)CCO1 ZINC000577637338 335384438 /nfs/dbraw/zinc/38/44/38/335384438.db2.gz RUJOTHZBVMJVDY-VXGBXAGGSA-N 2 2 287.429 -0.082 20 0 CBADLP C[NH2+][C@H](C(=O)N(C)CC[NH+]1CCOCC1)c1cnn(C)c1 ZINC000578763908 335671819 /nfs/dbraw/zinc/67/18/19/335671819.db2.gz QJNADSPRSSUQOF-ZDUSSCGKSA-N 2 2 295.387 -0.529 20 0 CBADLP CO[C@@H](C[NH3+])C(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1 ZINC000580832709 335972518 /nfs/dbraw/zinc/97/25/18/335972518.db2.gz VKBTXPBHDXBMRZ-QWRGUYRKSA-N 2 2 281.360 -0.791 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)C[NH2+]C[C@H]2CCCO2)CCO1 ZINC000581134539 336013571 /nfs/dbraw/zinc/01/35/71/336013571.db2.gz YFABREVRNDNAFC-QWHCGFSZSA-N 2 2 285.388 -0.408 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)C[NH2+]C[C@H]2CCCO2)CCO1 ZINC000581134539 336013572 /nfs/dbraw/zinc/01/35/72/336013572.db2.gz YFABREVRNDNAFC-QWHCGFSZSA-N 2 2 285.388 -0.408 20 0 CBADLP C[C@@H]1CN(C(=O)c2cc([C@@H]3CC[NH2+]C3)[nH]n2)CC[NH2+]1 ZINC000581189509 336021553 /nfs/dbraw/zinc/02/15/53/336021553.db2.gz UFNDNFGQDACWTM-NXEZZACHSA-N 2 2 263.345 -0.080 20 0 CBADLP C[N@@H+]1CCN(C(=O)COC2CCOCC2)[C@H](C[NH3+])C1 ZINC000581249608 336031820 /nfs/dbraw/zinc/03/18/20/336031820.db2.gz AHPLFEDORAUORM-LLVKDONJSA-N 2 2 271.361 -0.717 20 0 CBADLP C[N@H+]1CCN(C(=O)COC2CCOCC2)[C@H](C[NH3+])C1 ZINC000581249608 336031822 /nfs/dbraw/zinc/03/18/22/336031822.db2.gz AHPLFEDORAUORM-LLVKDONJSA-N 2 2 271.361 -0.717 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])CC1 ZINC000581310901 336045929 /nfs/dbraw/zinc/04/59/29/336045929.db2.gz SOGSRLLHSUJPPK-GHMZBOCLSA-N 2 2 270.377 -0.608 20 0 CBADLP C[N@@H+]1CCN(C(=O)Cc2ccccc2N)[C@H](C[NH3+])C1 ZINC000581428141 336075767 /nfs/dbraw/zinc/07/57/67/336075767.db2.gz KPOHYRBYACSPKX-GFCCVEGCSA-N 2 2 262.357 -0.087 20 0 CBADLP C[N@H+]1CCN(C(=O)Cc2ccccc2N)[C@H](C[NH3+])C1 ZINC000581428141 336075769 /nfs/dbraw/zinc/07/57/69/336075769.db2.gz KPOHYRBYACSPKX-GFCCVEGCSA-N 2 2 262.357 -0.087 20 0 CBADLP C[NH2+]C[C@@](C)(O)C[NH+]1CCN(c2cnccn2)CC1 ZINC000581553676 336101761 /nfs/dbraw/zinc/10/17/61/336101761.db2.gz ZYGCEFSSYZUVJG-CYBMUJFWSA-N 2 2 265.361 -0.431 20 0 CBADLP CCNC(=O)C[NH+]1CCN(C[C@@H](O)C[N@H+](C)CC)CC1 ZINC000581674779 336126735 /nfs/dbraw/zinc/12/67/35/336126735.db2.gz WICQBMUHISMZDG-ZDUSSCGKSA-N 2 2 286.420 -0.947 20 0 CBADLP CCNC(=O)C[NH+]1CCN(C[C@@H](O)C[N@@H+](C)CC)CC1 ZINC000581674779 336126737 /nfs/dbraw/zinc/12/67/37/336126737.db2.gz WICQBMUHISMZDG-ZDUSSCGKSA-N 2 2 286.420 -0.947 20 0 CBADLP COC(=O)CC[N@@H+]1CCN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC000581919815 336166418 /nfs/dbraw/zinc/16/64/18/336166418.db2.gz VRWMUPFCLLGRQN-LBPRGKRZSA-N 2 2 294.355 -0.021 20 0 CBADLP COC(=O)CC[N@H+]1CCN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC000581919815 336166419 /nfs/dbraw/zinc/16/64/19/336166419.db2.gz VRWMUPFCLLGRQN-LBPRGKRZSA-N 2 2 294.355 -0.021 20 0 CBADLP CN(CCCn1cc[nH+]c1)C(=O)CN1CC[NH2+]CC1=O ZINC000582002018 336188747 /nfs/dbraw/zinc/18/87/47/336188747.db2.gz YXNIWFSZMQBURV-UHFFFAOYSA-N 2 2 279.344 -0.837 20 0 CBADLP CCNS(=O)(=O)CC[NH2+]C1CC[NH+](CC)CC1 ZINC000223812468 582129049 /nfs/dbraw/zinc/12/90/49/582129049.db2.gz LBLQUHVSEIBEFR-UHFFFAOYSA-N 2 2 263.407 0.000 20 0 CBADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H]1CCCO1 ZINC000157382954 522437335 /nfs/dbraw/zinc/43/73/35/522437335.db2.gz KLYCFISKCJZNHY-LBPRGKRZSA-N 2 2 255.362 -0.129 20 0 CBADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H]1CCCO1 ZINC000157382954 522437343 /nfs/dbraw/zinc/43/73/43/522437343.db2.gz KLYCFISKCJZNHY-LBPRGKRZSA-N 2 2 255.362 -0.129 20 0 CBADLP O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)NC[C@H]1CCC[NH2+]1 ZINC000333846051 534345093 /nfs/dbraw/zinc/34/50/93/534345093.db2.gz PEBJYDXYESRMCQ-UPJWGTAASA-N 2 2 282.388 -0.099 20 0 CBADLP O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)NC[C@H]1CCC[NH2+]1 ZINC000333846051 534345095 /nfs/dbraw/zinc/34/50/95/534345095.db2.gz PEBJYDXYESRMCQ-UPJWGTAASA-N 2 2 282.388 -0.099 20 0 CBADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)[C@@H](C)C[NH2+]C)CC1 ZINC000163956310 520481805 /nfs/dbraw/zinc/48/18/05/520481805.db2.gz ZMJXWAFTEGFFKN-ZDUSSCGKSA-N 2 2 298.431 -0.146 20 0 CBADLP COC(C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)OC ZINC000161615043 522534238 /nfs/dbraw/zinc/53/42/38/522534238.db2.gz CGSVHKIVMARZOB-LBPRGKRZSA-N 2 2 285.388 -0.156 20 0 CBADLP COC(C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)OC ZINC000161615043 522534247 /nfs/dbraw/zinc/53/42/47/522534247.db2.gz CGSVHKIVMARZOB-LBPRGKRZSA-N 2 2 285.388 -0.156 20 0 CBADLP [NH3+]C[C@@H](C(=O)N1CC[NH+](CCO)CC1)c1ccccc1 ZINC000061611273 527200965 /nfs/dbraw/zinc/20/09/65/527200965.db2.gz BTUPCRPJQAXFEB-CQSZACIVSA-N 2 2 277.368 -0.135 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](C[C@@H](C)O)C[C@H]2C)C1 ZINC000356902224 527733617 /nfs/dbraw/zinc/73/36/17/527733617.db2.gz LHEDTQVGLBHPLW-MCIONIFRSA-N 2 2 299.415 -0.379 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[NH+](C[C@@H](C)O)C[C@H]2C)C1 ZINC000356902224 527733619 /nfs/dbraw/zinc/73/36/19/527733619.db2.gz LHEDTQVGLBHPLW-MCIONIFRSA-N 2 2 299.415 -0.379 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)C1 ZINC000356902224 527733622 /nfs/dbraw/zinc/73/36/22/527733622.db2.gz LHEDTQVGLBHPLW-MCIONIFRSA-N 2 2 299.415 -0.379 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)C1 ZINC000356902224 527733627 /nfs/dbraw/zinc/73/36/27/527733627.db2.gz LHEDTQVGLBHPLW-MCIONIFRSA-N 2 2 299.415 -0.379 20 0 CBADLP CCC[C@H](C(=O)N1CCC[N@H+](CC(=O)NC)CC1)[NH+](C)C ZINC000378320486 527970944 /nfs/dbraw/zinc/97/09/44/527970944.db2.gz PSGTYVXSKJOIGW-CYBMUJFWSA-N 2 2 298.431 -0.003 20 0 CBADLP CCC[C@H](C(=O)N1CCC[N@@H+](CC(=O)NC)CC1)[NH+](C)C ZINC000378320486 527970948 /nfs/dbraw/zinc/97/09/48/527970948.db2.gz PSGTYVXSKJOIGW-CYBMUJFWSA-N 2 2 298.431 -0.003 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000131490836 528376675 /nfs/dbraw/zinc/37/66/75/528376675.db2.gz KGEPUXWNJNVNNF-RYUDHWBXSA-N 2 2 284.404 -0.360 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000131490836 528376680 /nfs/dbraw/zinc/37/66/80/528376680.db2.gz KGEPUXWNJNVNNF-RYUDHWBXSA-N 2 2 284.404 -0.360 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000354969746 529126572 /nfs/dbraw/zinc/12/65/72/529126572.db2.gz BZTWPVHYOPLGNL-CYBMUJFWSA-N 2 2 298.431 -0.147 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000354969746 529126576 /nfs/dbraw/zinc/12/65/76/529126576.db2.gz BZTWPVHYOPLGNL-CYBMUJFWSA-N 2 2 298.431 -0.147 20 0 CBADLP CC[C@@H]1CN(C(=O)[C@H]([NH3+])COC)C[C@@H]1[NH+]1CCOCC1 ZINC000262212753 535837626 /nfs/dbraw/zinc/83/76/26/535837626.db2.gz FBGKORFKOCMJJH-UPJWGTAASA-N 2 2 285.388 -0.471 20 0 CBADLP Cn1cc[nH+]c1CNC(=O)CC[NH+]1CCOCC1 ZINC000728545253 582144059 /nfs/dbraw/zinc/14/40/59/582144059.db2.gz VIXCJYWQRQHVTH-UHFFFAOYSA-N 2 2 252.318 -0.241 20 0 CBADLP C[C@H]([C@H](C)NC(=O)CC[NH+]1CCOCC1)[NH+]1CCOCC1 ZINC000729449082 582146604 /nfs/dbraw/zinc/14/66/04/582146604.db2.gz KEZBJDQVXZJJIQ-UONOGXRCSA-N 2 2 299.415 -0.066 20 0 CBADLP CN1CC[N@H+](C)[C@@H](CNC(=S)NCCC[NH+](C)C)C1 ZINC000731948427 582155889 /nfs/dbraw/zinc/15/58/89/582155889.db2.gz ZGMQYVJUJPPQDB-LBPRGKRZSA-N 2 2 287.477 -0.352 20 0 CBADLP CN1CC[N@@H+](C)[C@@H](CNC(=S)NCCC[NH+](C)C)C1 ZINC000731948427 582155890 /nfs/dbraw/zinc/15/58/90/582155890.db2.gz ZGMQYVJUJPPQDB-LBPRGKRZSA-N 2 2 287.477 -0.352 20 0 CBADLP C[N@H+](CCN1CCCC1=O)C[C@@H](O)C[NH+]1CCCC1 ZINC000733032323 582161347 /nfs/dbraw/zinc/16/13/47/582161347.db2.gz BTBGHZWTIHSSHQ-CYBMUJFWSA-N 2 2 269.389 -0.003 20 0 CBADLP C[N@@H+](CCN1CCCC1=O)C[C@@H](O)C[NH+]1CCCC1 ZINC000733032323 582161349 /nfs/dbraw/zinc/16/13/49/582161349.db2.gz BTBGHZWTIHSSHQ-CYBMUJFWSA-N 2 2 269.389 -0.003 20 0 CBADLP CN1C(=O)C(=O)N(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)C1=O ZINC000738148529 582259866 /nfs/dbraw/zinc/25/98/66/582259866.db2.gz KWGDOSPNRRMZJX-JTQLQIEISA-N 2 2 291.311 -0.102 20 0 CBADLP CN1C(=O)C(=O)N(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)C1=O ZINC000738148529 582259867 /nfs/dbraw/zinc/25/98/67/582259867.db2.gz KWGDOSPNRRMZJX-JTQLQIEISA-N 2 2 291.311 -0.102 20 0 CBADLP C[N@@H+]1CC[C@H](C(=O)N2CC[NH+](CC[S@@](C)=O)CC2)C1 ZINC000741288644 582268701 /nfs/dbraw/zinc/26/87/01/582268701.db2.gz JBEFWQRRDSWXAX-HXPMCKFVSA-N 2 2 287.429 -0.539 20 0 CBADLP C[N@H+]1CC[C@H](C(=O)N2CC[NH+](CC[S@@](C)=O)CC2)C1 ZINC000741288644 582268703 /nfs/dbraw/zinc/26/87/03/582268703.db2.gz JBEFWQRRDSWXAX-HXPMCKFVSA-N 2 2 287.429 -0.539 20 0 CBADLP C[S@](=O)CC[NH+]1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000741294658 582268983 /nfs/dbraw/zinc/26/89/83/582268983.db2.gz OQXJINUZPGPOGM-FQEVSTJZSA-N 2 2 298.412 -0.204 20 0 CBADLP CC[NH+](CC(=O)NC)CC(C)C[N@@H+](CC)CC(=O)NC ZINC000741788045 582270970 /nfs/dbraw/zinc/27/09/70/582270970.db2.gz WSQJOVIMIGKAOG-UHFFFAOYSA-N 2 2 286.420 -0.242 20 0 CBADLP CC[NH+](CC(=O)NC)CC(C)C[N@H+](CC)CC(=O)NC ZINC000741788045 582270972 /nfs/dbraw/zinc/27/09/72/582270972.db2.gz WSQJOVIMIGKAOG-UHFFFAOYSA-N 2 2 286.420 -0.242 20 0 CBADLP NS(=O)(=O)CC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000745984853 582283381 /nfs/dbraw/zinc/28/33/81/582283381.db2.gz UETLMQXQUCAWQM-UHFFFAOYSA-N 2 2 258.347 -0.122 20 0 CBADLP C[NH+]1CCC(NC(=S)NC[C@@H]2C[NH+]3CCN2CC3)CC1 ZINC000746545998 582285079 /nfs/dbraw/zinc/28/50/79/582285079.db2.gz WWYPRXNFZLVRFY-CYBMUJFWSA-N 2 2 297.472 -0.456 20 0 CBADLP C[C@H](C(=O)N1CC[N@H+](C)[C@@H](C)C1)N1CC[NH+](C)CC1 ZINC000748348538 582287599 /nfs/dbraw/zinc/28/75/99/582287599.db2.gz JBJNWRPSNUAYSZ-QWHCGFSZSA-N 2 2 268.405 -0.215 20 0 CBADLP C[C@H](C(=O)N1CC[N@@H+](C)[C@@H](C)C1)N1CC[NH+](C)CC1 ZINC000748348538 582287600 /nfs/dbraw/zinc/28/76/00/582287600.db2.gz JBJNWRPSNUAYSZ-QWHCGFSZSA-N 2 2 268.405 -0.215 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CC(N)=O)CC1 ZINC000748558733 582288268 /nfs/dbraw/zinc/28/82/68/582288268.db2.gz NBEMZLDPVTWZPW-NSHDSACASA-N 2 2 268.361 -0.900 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CC(N)=O)CC1 ZINC000748558733 582288269 /nfs/dbraw/zinc/28/82/69/582288269.db2.gz NBEMZLDPVTWZPW-NSHDSACASA-N 2 2 268.361 -0.900 20 0 CBADLP C[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000748558733 582288270 /nfs/dbraw/zinc/28/82/70/582288270.db2.gz NBEMZLDPVTWZPW-NSHDSACASA-N 2 2 268.361 -0.900 20 0 CBADLP C[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000748558733 582288271 /nfs/dbraw/zinc/28/82/71/582288271.db2.gz NBEMZLDPVTWZPW-NSHDSACASA-N 2 2 268.361 -0.900 20 0 CBADLP CNS(=O)(=O)[C@@H]1CC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000750215540 582290927 /nfs/dbraw/zinc/29/09/27/582290927.db2.gz IHNYHHHHQWIEMO-VXGBXAGGSA-N 2 2 291.417 -0.933 20 0 CBADLP CNS(=O)(=O)[C@@H]1CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000750215540 582290928 /nfs/dbraw/zinc/29/09/28/582290928.db2.gz IHNYHHHHQWIEMO-VXGBXAGGSA-N 2 2 291.417 -0.933 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)CC[NH+]1CCOCC1 ZINC000750853651 582292171 /nfs/dbraw/zinc/29/21/71/582292171.db2.gz GPQFYIAWGPDJCO-ZDUSSCGKSA-N 2 2 285.388 -0.454 20 0 CBADLP Cc1cc(N2CC[NH+](C(C)(C)C(N)=O)CC2)nc(N)[nH+]1 ZINC000751119575 582292383 /nfs/dbraw/zinc/29/23/83/582292383.db2.gz VSZOXIXCIBDPIY-UHFFFAOYSA-N 2 2 278.360 -0.247 20 0 CBADLP CC[C@H](CO)[NH+]1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000759631867 582310436 /nfs/dbraw/zinc/31/04/36/582310436.db2.gz MBSKVPZWNFRATF-CQSZACIVSA-N 2 2 299.415 -0.376 20 0 CBADLP O=C(NC1CC1)N[C@@H]1CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000760905505 582313866 /nfs/dbraw/zinc/31/38/66/582313866.db2.gz FURYLTACIYKEPP-ZIAGYGMSSA-N 2 2 296.415 -0.021 20 0 CBADLP O=C(NC1CC1)N[C@@H]1CC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000760905505 582313867 /nfs/dbraw/zinc/31/38/67/582313867.db2.gz FURYLTACIYKEPP-ZIAGYGMSSA-N 2 2 296.415 -0.021 20 0 CBADLP C[NH+](C)CC(=O)N1CC[NH+](C[C@@H]2CC3(CC3)C(=O)O2)CC1 ZINC000763660524 582320501 /nfs/dbraw/zinc/32/05/01/582320501.db2.gz MKHFCCLHWPVFMB-LBPRGKRZSA-N 2 2 295.383 -0.212 20 0 CBADLP O=C1CC[C@H]([N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)C(=O)N1 ZINC000765961734 582329089 /nfs/dbraw/zinc/32/90/89/582329089.db2.gz FGORUXJKAVZJFZ-RYUDHWBXSA-N 2 2 281.356 -0.554 20 0 CBADLP O=C1CC[C@H]([N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)C(=O)N1 ZINC000765961734 582329090 /nfs/dbraw/zinc/32/90/90/582329090.db2.gz FGORUXJKAVZJFZ-RYUDHWBXSA-N 2 2 281.356 -0.554 20 0 CBADLP COC(=O)C[C@]1([NH2+]C[C@H](O)C[NH+]2CCCC2)CCOC1 ZINC000767034179 582331572 /nfs/dbraw/zinc/33/15/72/582331572.db2.gz XCQSLORJUKFZAK-GXTWGEPZSA-N 2 2 286.372 -0.245 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](C)[C@@H](C)C2)C1 ZINC000768848974 582334785 /nfs/dbraw/zinc/33/47/85/582334785.db2.gz XHTBQUIYABMBRJ-NWDGAFQWSA-N 2 2 255.362 -0.130 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](C)[C@@H](C)C2)C1 ZINC000768848974 582334786 /nfs/dbraw/zinc/33/47/86/582334786.db2.gz XHTBQUIYABMBRJ-NWDGAFQWSA-N 2 2 255.362 -0.130 20 0 CBADLP CC[NH+]1CCO[C@@H](C(=O)N2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000768848974 582334787 /nfs/dbraw/zinc/33/47/87/582334787.db2.gz XHTBQUIYABMBRJ-NWDGAFQWSA-N 2 2 255.362 -0.130 20 0 CBADLP CC[NH+]1CCO[C@@H](C(=O)N2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000768848974 582334788 /nfs/dbraw/zinc/33/47/88/582334788.db2.gz XHTBQUIYABMBRJ-NWDGAFQWSA-N 2 2 255.362 -0.130 20 0 CBADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CCS(N)(=O)=O)C1 ZINC000770018153 582337549 /nfs/dbraw/zinc/33/75/49/582337549.db2.gz KFSZWPNWWQZSPL-JTQLQIEISA-N 2 2 272.374 -0.112 20 0 CBADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CCS(N)(=O)=O)C1 ZINC000770018153 582337550 /nfs/dbraw/zinc/33/75/50/582337550.db2.gz KFSZWPNWWQZSPL-JTQLQIEISA-N 2 2 272.374 -0.112 20 0 CBADLP O=C(CC[NH+]1CCOCC1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000771034586 582340149 /nfs/dbraw/zinc/34/01/49/582340149.db2.gz QWEMDCKNVHMZJZ-AWEZNQCLSA-N 2 2 297.399 -0.358 20 0 CBADLP CON(C)C(=O)C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000774681623 582350884 /nfs/dbraw/zinc/35/08/84/582350884.db2.gz OPYLNMXRPVBYOA-CYBMUJFWSA-N 2 2 284.404 -0.282 20 0 CBADLP CON(C)C(=O)C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000774681623 582350885 /nfs/dbraw/zinc/35/08/85/582350885.db2.gz OPYLNMXRPVBYOA-CYBMUJFWSA-N 2 2 284.404 -0.282 20 0 CBADLP CON(C)C(=O)C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000774763925 582351337 /nfs/dbraw/zinc/35/13/37/582351337.db2.gz OQSPGBOSKVOUBC-UONOGXRCSA-N 2 2 298.431 -0.036 20 0 CBADLP CON(C)C(=O)C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000774763925 582351338 /nfs/dbraw/zinc/35/13/38/582351338.db2.gz OQSPGBOSKVOUBC-UONOGXRCSA-N 2 2 298.431 -0.036 20 0 CBADLP CON(C)C(=O)C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000774763922 582351387 /nfs/dbraw/zinc/35/13/87/582351387.db2.gz OQSPGBOSKVOUBC-KBPBESRZSA-N 2 2 298.431 -0.036 20 0 CBADLP CON(C)C(=O)C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000774763922 582351388 /nfs/dbraw/zinc/35/13/88/582351388.db2.gz OQSPGBOSKVOUBC-KBPBESRZSA-N 2 2 298.431 -0.036 20 0 CBADLP C[C@H]1CN(C(=O)CC[NH+]2CCOCC2)CC[N@@H+]1CCO ZINC000779311991 582360729 /nfs/dbraw/zinc/36/07/29/582360729.db2.gz VJQIPIPHTMLVCR-ZDUSSCGKSA-N 2 2 285.388 -0.766 20 0 CBADLP C[C@H]1CN(C(=O)CC[NH+]2CCOCC2)CC[N@H+]1CCO ZINC000779311991 582360730 /nfs/dbraw/zinc/36/07/30/582360730.db2.gz VJQIPIPHTMLVCR-ZDUSSCGKSA-N 2 2 285.388 -0.766 20 0 CBADLP C[C@@H](CCO)[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000779411741 582361083 /nfs/dbraw/zinc/36/10/83/582361083.db2.gz HKXRLEBGHLVXAA-QWHCGFSZSA-N 2 2 285.388 -0.720 20 0 CBADLP COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)C[N@H+](C)C(C)C ZINC000779568090 582361959 /nfs/dbraw/zinc/36/19/59/582361959.db2.gz XSDHHGANPNVMNU-NSHDSACASA-N 2 2 282.344 -0.119 20 0 CBADLP COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)C[N@@H+](C)C(C)C ZINC000779568090 582361960 /nfs/dbraw/zinc/36/19/60/582361960.db2.gz XSDHHGANPNVMNU-NSHDSACASA-N 2 2 282.344 -0.119 20 0 CBADLP C[C@H](CNC(=S)NCC[NH+]1CCOCC1)C[NH+](C)C ZINC000793261056 582397282 /nfs/dbraw/zinc/39/72/82/582397282.db2.gz WHUMXXSBKXMJAF-GFCCVEGCSA-N 2 2 288.461 -0.020 20 0 CBADLP C[NH+](C)C1CC[NH+](CCNC(=O)CC2OCCO2)CC1 ZINC000793615686 582398074 /nfs/dbraw/zinc/39/80/74/582398074.db2.gz RQUADUOFDVLUTH-UHFFFAOYSA-N 2 2 285.388 -0.108 20 0 CBADLP C[N@@H+]1CC[C@]2(CC[NH+]([C@@H]3CCC(=O)NC3=O)C2)C1 ZINC000795332153 582408497 /nfs/dbraw/zinc/40/84/97/582408497.db2.gz GJTCPKSPPUYXTI-MFKMUULPSA-N 2 2 251.330 -0.181 20 0 CBADLP C[N@H+]1CC[C@]2(CC[NH+]([C@@H]3CCC(=O)NC3=O)C2)C1 ZINC000795332153 582408498 /nfs/dbraw/zinc/40/84/98/582408498.db2.gz GJTCPKSPPUYXTI-MFKMUULPSA-N 2 2 251.330 -0.181 20 0 CBADLP C[NH+]1CC[C@]2(CC[N@@H+]([C@@H]3CCC(=O)NC3=O)C2)C1 ZINC000795332153 582408499 /nfs/dbraw/zinc/40/84/99/582408499.db2.gz GJTCPKSPPUYXTI-MFKMUULPSA-N 2 2 251.330 -0.181 20 0 CBADLP C[NH+]1CC[C@]2(CC[N@H+]([C@@H]3CCC(=O)NC3=O)C2)C1 ZINC000795332153 582408500 /nfs/dbraw/zinc/40/85/00/582408500.db2.gz GJTCPKSPPUYXTI-MFKMUULPSA-N 2 2 251.330 -0.181 20 0 CBADLP CC[N@H+](C[C@H](O)C[NH+]1CCCC1)[C@H]1CCNC1=O ZINC000799354606 582419708 /nfs/dbraw/zinc/41/97/08/582419708.db2.gz UVGSWIZDIFEIPB-NEPJUHHUSA-N 2 2 255.362 -0.347 20 0 CBADLP CC[N@@H+](C[C@H](O)C[NH+]1CCCC1)[C@H]1CCNC1=O ZINC000799354606 582419709 /nfs/dbraw/zinc/41/97/09/582419709.db2.gz UVGSWIZDIFEIPB-NEPJUHHUSA-N 2 2 255.362 -0.347 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)OCC[NH+]2CCO[C@@H](C)C2)C1 ZINC000805468192 582433263 /nfs/dbraw/zinc/43/32/63/582433263.db2.gz CTPJKMBDRALCEN-QWHCGFSZSA-N 2 2 286.372 -0.029 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)OCC[NH+]2CCO[C@@H](C)C2)C1 ZINC000805468192 582433264 /nfs/dbraw/zinc/43/32/64/582433264.db2.gz CTPJKMBDRALCEN-QWHCGFSZSA-N 2 2 286.372 -0.029 20 0 CBADLP CC[NH+]1CCO[C@@H](C(=O)OCC[N@@H+]2CCO[C@@H](C)C2)C1 ZINC000805468192 582433265 /nfs/dbraw/zinc/43/32/65/582433265.db2.gz CTPJKMBDRALCEN-QWHCGFSZSA-N 2 2 286.372 -0.029 20 0 CBADLP CC[NH+]1CCO[C@@H](C(=O)OCC[N@H+]2CCO[C@@H](C)C2)C1 ZINC000805468192 582433266 /nfs/dbraw/zinc/43/32/66/582433266.db2.gz CTPJKMBDRALCEN-QWHCGFSZSA-N 2 2 286.372 -0.029 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000806696311 582437656 /nfs/dbraw/zinc/43/76/56/582437656.db2.gz BEFQTCYYOZMTKA-DGCLKSJQSA-N 2 2 278.356 -0.058 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000806696311 582437657 /nfs/dbraw/zinc/43/76/57/582437657.db2.gz BEFQTCYYOZMTKA-DGCLKSJQSA-N 2 2 278.356 -0.058 20 0 CBADLP OC[C@@H]1CC[N@H+](C[C@H](O)C[NH+]2CCCC2)C[C@@H]1O ZINC000808750248 582444234 /nfs/dbraw/zinc/44/42/34/582444234.db2.gz HEXIKUYDGDFVOE-XQQFMLRXSA-N 2 2 258.362 -0.882 20 0 CBADLP OC[C@@H]1CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C[C@@H]1O ZINC000808750248 582444235 /nfs/dbraw/zinc/44/42/35/582444235.db2.gz HEXIKUYDGDFVOE-XQQFMLRXSA-N 2 2 258.362 -0.882 20 0 CBADLP CC1(C)OCC(CO)([NH2+]C[C@H](O)C[NH+]2CCCC2)CO1 ZINC000812837676 582453169 /nfs/dbraw/zinc/45/31/69/582453169.db2.gz HFPILZFSNMEGNO-LBPRGKRZSA-N 2 2 288.388 -0.453 20 0 CBADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1cnn(C)n1 ZINC000815123089 582461127 /nfs/dbraw/zinc/46/11/27/582461127.db2.gz WEGJZVRHJVORBM-ZDUSSCGKSA-N 2 2 294.403 -0.153 20 0 CBADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cnn(C)n1 ZINC000815123089 582461128 /nfs/dbraw/zinc/46/11/28/582461128.db2.gz WEGJZVRHJVORBM-ZDUSSCGKSA-N 2 2 294.403 -0.153 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NCCC[NH+]1CCOCC1 ZINC000816816987 582485015 /nfs/dbraw/zinc/48/50/15/582485015.db2.gz OYAHESPVJCYTJA-UHFFFAOYSA-N 2 2 252.318 -0.209 20 0 CBADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCS(=O)(=O)N1CCOCC1 ZINC000817909640 582496396 /nfs/dbraw/zinc/49/63/96/582496396.db2.gz XJOSSHSUSUGKPF-VXGBXAGGSA-N 2 2 291.417 -0.764 20 0 CBADLP CS(=O)(=O)CC[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000819003581 582524731 /nfs/dbraw/zinc/52/47/31/582524731.db2.gz GNWQMXJCDDIADU-LLVKDONJSA-N 2 2 291.417 -0.792 20 0 CBADLP CS(=O)(=O)CC[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000819003581 582524733 /nfs/dbraw/zinc/52/47/33/582524733.db2.gz GNWQMXJCDDIADU-LLVKDONJSA-N 2 2 291.417 -0.792 20 0 CBADLP O=C(CCn1cc[nH+]c1)N[C@@H](CO)C[NH+]1CCCC1 ZINC000819837788 582543952 /nfs/dbraw/zinc/54/39/52/582543952.db2.gz RWWVMBWCQSDUJI-GFCCVEGCSA-N 2 2 266.345 -0.154 20 0 CBADLP COCC(COC)[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000823564042 582674160 /nfs/dbraw/zinc/67/41/60/582674160.db2.gz PCKVLQIPUKCNHR-UHFFFAOYSA-N 2 2 299.415 -0.112 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)[NH+](C)C ZINC000823615765 582675381 /nfs/dbraw/zinc/67/53/81/582675381.db2.gz XPPNZVAVBQQPEN-MJBXVCDLSA-N 2 2 299.415 -0.068 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CN1CCOC1=O ZINC000824438386 582697075 /nfs/dbraw/zinc/69/70/75/582697075.db2.gz PAVPLNMQIFDTFG-UHFFFAOYSA-N 2 2 286.376 -0.562 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CN1CCOC1=O ZINC000824438386 582697076 /nfs/dbraw/zinc/69/70/76/582697076.db2.gz PAVPLNMQIFDTFG-UHFFFAOYSA-N 2 2 286.376 -0.562 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000824740911 582708175 /nfs/dbraw/zinc/70/81/75/582708175.db2.gz LZSHKJKAENIFLA-MNOVXSKESA-N 2 2 264.329 -0.068 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000824740911 582708177 /nfs/dbraw/zinc/70/81/77/582708177.db2.gz LZSHKJKAENIFLA-MNOVXSKESA-N 2 2 264.329 -0.068 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H]3C[C@@H]3[NH3+])C2)CC1 ZINC000829484718 582888210 /nfs/dbraw/zinc/88/82/10/582888210.db2.gz WSNQWRCLQJMKFR-RTXFEEFZSA-N 3 2 266.389 -0.382 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H]3C[C@@H]3[NH3+])C2)CC1 ZINC000829484718 582888212 /nfs/dbraw/zinc/88/82/12/582888212.db2.gz WSNQWRCLQJMKFR-RTXFEEFZSA-N 3 2 266.389 -0.382 20 0 CBADLP C[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000830141295 582922403 /nfs/dbraw/zinc/92/24/03/582922403.db2.gz LBUXQPCYMMOFEC-MJBXVCDLSA-N 2 2 297.399 -0.314 20 0 CBADLP C[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000830141295 582922406 /nfs/dbraw/zinc/92/24/06/582922406.db2.gz LBUXQPCYMMOFEC-MJBXVCDLSA-N 2 2 297.399 -0.314 20 0 CBADLP C[N@H+](C[C@@H](O)C[NH+]1CC[C@@H]2COC(=O)N[C@H]2C1)C1CC1 ZINC000830904869 582944062 /nfs/dbraw/zinc/94/40/62/582944062.db2.gz CHQBMLJEYJHTHX-RTXFEEFZSA-N 2 2 283.372 -0.128 20 0 CBADLP C[N@@H+](C[C@@H](O)C[NH+]1CC[C@@H]2COC(=O)N[C@H]2C1)C1CC1 ZINC000830904869 582944064 /nfs/dbraw/zinc/94/40/64/582944064.db2.gz CHQBMLJEYJHTHX-RTXFEEFZSA-N 2 2 283.372 -0.128 20 0 CBADLP C[NH+](C[C@@H](O)C[N@@H+]1CC[C@@H]2COC(=O)N[C@H]2C1)C1CC1 ZINC000830904869 582944066 /nfs/dbraw/zinc/94/40/66/582944066.db2.gz CHQBMLJEYJHTHX-RTXFEEFZSA-N 2 2 283.372 -0.128 20 0 CBADLP C[NH+](C[C@@H](O)C[N@H+]1CC[C@@H]2COC(=O)N[C@H]2C1)C1CC1 ZINC000830904869 582944068 /nfs/dbraw/zinc/94/40/68/582944068.db2.gz CHQBMLJEYJHTHX-RTXFEEFZSA-N 2 2 283.372 -0.128 20 0 CBADLP C[N@@H+]1CCN(C(=O)CN2CCSC2=O)[C@@H](C[NH3+])C1 ZINC000834303783 583120246 /nfs/dbraw/zinc/12/02/46/583120246.db2.gz OWWWIRLEGJGOGK-VIFPVBQESA-N 2 2 272.374 -0.744 20 0 CBADLP C[N@H+]1CCN(C(=O)CN2CCSC2=O)[C@@H](C[NH3+])C1 ZINC000834303783 583120249 /nfs/dbraw/zinc/12/02/49/583120249.db2.gz OWWWIRLEGJGOGK-VIFPVBQESA-N 2 2 272.374 -0.744 20 0 CBADLP C[C@@H](CNC(=O)NCC[N@@H+]1CCO[C@H](C)C1)[NH+](C)C ZINC000838112491 583148765 /nfs/dbraw/zinc/14/87/65/583148765.db2.gz AZFLDOSTWVQKAH-NWDGAFQWSA-N 2 2 272.393 -0.044 20 0 CBADLP C[C@@H](CNC(=O)NCC[N@H+]1CCO[C@H](C)C1)[NH+](C)C ZINC000838112491 583148766 /nfs/dbraw/zinc/14/87/66/583148766.db2.gz AZFLDOSTWVQKAH-NWDGAFQWSA-N 2 2 272.393 -0.044 20 0 CBADLP CC(C)OCCNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000841875786 583175596 /nfs/dbraw/zinc/17/55/96/583175596.db2.gz GHXWDKHCLWPTCT-LLVKDONJSA-N 2 2 258.366 -0.304 20 0 CBADLP CC(C)OCCNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000841875786 583175598 /nfs/dbraw/zinc/17/55/98/583175598.db2.gz GHXWDKHCLWPTCT-LLVKDONJSA-N 2 2 258.366 -0.304 20 0 CBADLP O=C(NCc1ccc(-n2cc[nH+]c2)cc1)C(=O)NC1C[NH2+]C1 ZINC000842056654 583178988 /nfs/dbraw/zinc/17/89/88/583178988.db2.gz BSUXRQQQJYEUQW-UHFFFAOYSA-N 2 2 299.334 -0.424 20 0 CBADLP C[C@@H](C[NH3+])NC(=O)C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000842201791 583181372 /nfs/dbraw/zinc/18/13/72/583181372.db2.gz CGNBSLSEMVNYQB-GWCFXTLKSA-N 2 2 290.367 -0.247 20 0 CBADLP C[C@@H](C[NH3+])NC(=O)C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000842201791 583181376 /nfs/dbraw/zinc/18/13/76/583181376.db2.gz CGNBSLSEMVNYQB-GWCFXTLKSA-N 2 2 290.367 -0.247 20 0 CBADLP O=C(NC[C@H]1C[NH2+]CCO1)c1ccnc(-n2cc[nH+]c2)c1 ZINC000842510238 583184677 /nfs/dbraw/zinc/18/46/77/583184677.db2.gz PKTFJODDFCYWOT-GFCCVEGCSA-N 2 2 287.323 -0.015 20 0 CBADLP CCOC(=O)C1=C(C[N@H+](C)CCC[NH3+])NC(=O)N[C@@H]1C ZINC000843350988 583211830 /nfs/dbraw/zinc/21/18/30/583211830.db2.gz DEHJKNWTTFZBIM-SECBINFHSA-N 2 2 284.360 -0.215 20 0 CBADLP CCOC(=O)C1=C(C[N@@H+](C)CCC[NH3+])NC(=O)N[C@@H]1C ZINC000843350988 583211833 /nfs/dbraw/zinc/21/18/33/583211833.db2.gz DEHJKNWTTFZBIM-SECBINFHSA-N 2 2 284.360 -0.215 20 0 CBADLP C[C@H]1CN(C(=O)C[NH2+][C@@](C)(C[NH3+])C2CC2)CCO1 ZINC000843356639 583212011 /nfs/dbraw/zinc/21/20/11/583212011.db2.gz ZDORPTDMGHWBOQ-GWCFXTLKSA-N 2 2 255.362 -0.049 20 0 CBADLP CC(=O)N1CSC[C@@H]1C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000843357128 583212072 /nfs/dbraw/zinc/21/20/72/583212072.db2.gz DJJHCYDWHCHQNA-GHMZBOCLSA-N 2 2 286.401 -0.991 20 0 CBADLP CC(=O)N1CSC[C@@H]1C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000843357128 583212075 /nfs/dbraw/zinc/21/20/75/583212075.db2.gz DJJHCYDWHCHQNA-GHMZBOCLSA-N 2 2 286.401 -0.991 20 0 CBADLP O=C(CO[C@H]1CCC[NH2+]C1)NCCn1cc[nH+]c1 ZINC000844165672 583255253 /nfs/dbraw/zinc/25/52/53/583255253.db2.gz MRCFSCNWNHMLPN-NSHDSACASA-N 2 2 252.318 -0.232 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)C[C@H]([NH3+])C2CC2)CCO1 ZINC000844178554 583257361 /nfs/dbraw/zinc/25/73/61/583257361.db2.gz AYOHUWGYWFGAEL-PWSUYJOCSA-N 2 2 255.362 -0.049 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)C[C@H]([NH3+])C2CC2)CCO1 ZINC000844178554 583257364 /nfs/dbraw/zinc/25/73/64/583257364.db2.gz AYOHUWGYWFGAEL-PWSUYJOCSA-N 2 2 255.362 -0.049 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@]2(F)CC[NH2+]C2)CCO1 ZINC000844179083 583257872 /nfs/dbraw/zinc/25/78/72/583257872.db2.gz PPPLUBZSOZMJKP-PWSUYJOCSA-N 2 2 259.325 -0.475 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@]2(F)CC[NH2+]C2)CCO1 ZINC000844179083 583257873 /nfs/dbraw/zinc/25/78/73/583257873.db2.gz PPPLUBZSOZMJKP-PWSUYJOCSA-N 2 2 259.325 -0.475 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)[C@]2(F)CC[NH2+]C2)CCO1 ZINC000844179082 583257945 /nfs/dbraw/zinc/25/79/45/583257945.db2.gz PPPLUBZSOZMJKP-JQWIXIFHSA-N 2 2 259.325 -0.475 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)[C@]2(F)CC[NH2+]C2)CCO1 ZINC000844179082 583257947 /nfs/dbraw/zinc/25/79/47/583257947.db2.gz PPPLUBZSOZMJKP-JQWIXIFHSA-N 2 2 259.325 -0.475 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)c2[nH]nc3c2C[NH2+]CC3)CCO1 ZINC000844179707 583257994 /nfs/dbraw/zinc/25/79/94/583257994.db2.gz WYVZSVNGRKDCCH-SNVBAGLBSA-N 2 2 293.371 -0.494 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)c2[nH]nc3c2C[NH2+]CC3)CCO1 ZINC000844179707 583257997 /nfs/dbraw/zinc/25/79/97/583257997.db2.gz WYVZSVNGRKDCCH-SNVBAGLBSA-N 2 2 293.371 -0.494 20 0 CBADLP C[C@H]([C@H](C)NC(=O)CO[C@@H]1CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000844183413 583258793 /nfs/dbraw/zinc/25/87/93/583258793.db2.gz ZUVWBCIFOONTKQ-BFHYXJOUSA-N 2 2 299.415 -0.020 20 0 CBADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000844191538 583259978 /nfs/dbraw/zinc/25/99/78/583259978.db2.gz WVSCXUIRGLOELE-ZIAGYGMSSA-N 2 2 298.431 -0.493 20 0 CBADLP COC[C@@H]1C[C@@H](O)C[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000844393135 583269290 /nfs/dbraw/zinc/26/92/90/583269290.db2.gz HYKHQPVSUVACDU-YNEHKIRRSA-N 2 2 258.362 -0.475 20 0 CBADLP COC[C@@H]1C[C@@H](O)C[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000844393135 583269293 /nfs/dbraw/zinc/26/92/93/583269293.db2.gz HYKHQPVSUVACDU-YNEHKIRRSA-N 2 2 258.362 -0.475 20 0 CBADLP C[C@@H](CC(=O)N1CCC[N@H+](CC(N)=O)CC1)n1cc[nH+]c1 ZINC000845435957 583307067 /nfs/dbraw/zinc/30/70/67/583307067.db2.gz XOHNFBCNDISVHT-LBPRGKRZSA-N 2 2 293.371 -0.146 20 0 CBADLP C[C@@H](CC(=O)N1CCC[N@@H+](CC(N)=O)CC1)n1cc[nH+]c1 ZINC000845435957 583307069 /nfs/dbraw/zinc/30/70/69/583307069.db2.gz XOHNFBCNDISVHT-LBPRGKRZSA-N 2 2 293.371 -0.146 20 0 CBADLP CCO[C@@H]1C[N@H+](CC(=O)NCc2ccccn2)C[C@H]1C[NH3+] ZINC000846226382 583356369 /nfs/dbraw/zinc/35/63/69/583356369.db2.gz LTFOXFSXPRKUIQ-TZMCWYRMSA-N 2 2 292.383 -0.007 20 0 CBADLP CCO[C@@H]1C[N@@H+](CC(=O)NCc2ccccn2)C[C@H]1C[NH3+] ZINC000846226382 583356373 /nfs/dbraw/zinc/35/63/73/583356373.db2.gz LTFOXFSXPRKUIQ-TZMCWYRMSA-N 2 2 292.383 -0.007 20 0 CBADLP COC(=O)CC(C)(C)NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000846671222 583381749 /nfs/dbraw/zinc/38/17/49/583381749.db2.gz PJKSHKITWFPXCZ-VIFPVBQESA-N 2 2 259.350 -0.277 20 0 CBADLP CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)[C@H]1CCCCNC1=O ZINC000846668951 583381775 /nfs/dbraw/zinc/38/17/75/583381775.db2.gz CRQBBZJMYPDWCO-QWRGUYRKSA-N 2 2 270.377 -0.608 20 0 CBADLP CCOC(=O)N1CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CC1 ZINC000846678269 583382679 /nfs/dbraw/zinc/38/26/79/583382679.db2.gz XHROQRSIIKMFOD-NSHDSACASA-N 2 2 286.376 -0.434 20 0 CBADLP CC[NH2+]CC(=O)N1CC[NH+](CCOCCOC)CC1 ZINC000846700720 583384759 /nfs/dbraw/zinc/38/47/59/583384759.db2.gz GMHBTHNXHARBAI-UHFFFAOYSA-N 2 2 273.377 -0.597 20 0 CBADLP COCCOCC[NH+]1CCN(C(=O)[C@@H](C)[NH2+]C2CC2)CC1 ZINC000846701515 583384832 /nfs/dbraw/zinc/38/48/32/583384832.db2.gz XSFYOHSWBPEVOG-CYBMUJFWSA-N 2 2 299.415 -0.066 20 0 CBADLP C[C@H]1CCC[N@@H+]1CCNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000846716614 583385684 /nfs/dbraw/zinc/38/56/84/583385684.db2.gz DFCVWIHDOANTRO-NWDGAFQWSA-N 3 2 256.394 -0.134 20 0 CBADLP C[C@H]1CCC[N@H+]1CCNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000846716614 583385686 /nfs/dbraw/zinc/38/56/86/583385686.db2.gz DFCVWIHDOANTRO-NWDGAFQWSA-N 3 2 256.394 -0.134 20 0 CBADLP CCN1C[C@H](C[NH+]2CCN(C(=O)C[NH+](C)C)CC2)OC1=O ZINC000846770694 583386962 /nfs/dbraw/zinc/38/69/62/583386962.db2.gz WHAPJCCXXNNDEF-LBPRGKRZSA-N 2 2 298.387 -0.467 20 0 CBADLP CNC(=O)C1([NH2+]C[C@H](O)C[N@H+](C)CCOC)CCCC1 ZINC000846827737 583389066 /nfs/dbraw/zinc/38/90/66/583389066.db2.gz XGKUVZPKUKHGRT-LBPRGKRZSA-N 2 2 287.404 -0.426 20 0 CBADLP CNC(=O)C1([NH2+]C[C@H](O)C[N@@H+](C)CCOC)CCCC1 ZINC000846827737 583389068 /nfs/dbraw/zinc/38/90/68/583389068.db2.gz XGKUVZPKUKHGRT-LBPRGKRZSA-N 2 2 287.404 -0.426 20 0 CBADLP CON(C)C(=O)CC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000846875102 583390531 /nfs/dbraw/zinc/39/05/31/583390531.db2.gz CVZQOLJDSVOHPZ-UHFFFAOYSA-N 2 2 267.333 -0.058 20 0 CBADLP CN1C[C@H]([N@H+](C)C[C@@H](O)C[NH+]2CCCC2)CCC1=O ZINC000846920702 583392729 /nfs/dbraw/zinc/39/27/29/583392729.db2.gz JKWRAXJTXNDBPW-CHWSQXEVSA-N 2 2 269.389 -0.004 20 0 CBADLP CN1C[C@H]([N@@H+](C)C[C@@H](O)C[NH+]2CCCC2)CCC1=O ZINC000846920702 583392730 /nfs/dbraw/zinc/39/27/30/583392730.db2.gz JKWRAXJTXNDBPW-CHWSQXEVSA-N 2 2 269.389 -0.004 20 0 CBADLP COc1c(N)[nH+]cnc1N1CCC[N@H+](CC(N)=O)CC1 ZINC000848652005 583453952 /nfs/dbraw/zinc/45/39/52/583453952.db2.gz BKQNNABCXZFDRV-UHFFFAOYSA-N 2 2 280.332 -0.935 20 0 CBADLP COc1c(N)[nH+]cnc1N1CCC[N@@H+](CC(N)=O)CC1 ZINC000848652005 583453954 /nfs/dbraw/zinc/45/39/54/583453954.db2.gz BKQNNABCXZFDRV-UHFFFAOYSA-N 2 2 280.332 -0.935 20 0 CBADLP Cn1c[nH+]c(CCNC(=[NH2+])NCCC[NH+]2CCOCC2)c1 ZINC000849040287 583471003 /nfs/dbraw/zinc/47/10/03/583471003.db2.gz RCQIBLBKUFTDBZ-UHFFFAOYSA-N 3 2 294.403 -0.201 20 0 CBADLP C[NH+](C)C1(CNC(=[NH2+])NCCC[NH+]2CCOCC2)CC1 ZINC000849043796 583471503 /nfs/dbraw/zinc/47/15/03/583471503.db2.gz VJYDYJOPKGXGOB-UHFFFAOYSA-N 3 2 283.420 -0.083 20 0 CBADLP O=C1CC[C@H]([N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)C(=O)N1 ZINC000852008139 583533315 /nfs/dbraw/zinc/53/33/15/583533315.db2.gz FIMRAPIRMVKQMR-STQMWFEESA-N 2 2 295.383 -0.022 20 0 CBADLP O=C1CC[C@H]([N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)C(=O)N1 ZINC000852008139 583533316 /nfs/dbraw/zinc/53/33/16/583533316.db2.gz FIMRAPIRMVKQMR-STQMWFEESA-N 2 2 295.383 -0.022 20 0 CBADLP O=C1OCCN1[C@@H]1CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000852433841 583545812 /nfs/dbraw/zinc/54/58/12/583545812.db2.gz XSOKJEYJUUSQIL-CHWSQXEVSA-N 2 2 283.372 -0.030 20 0 CBADLP O=C1OCCN1[C@@H]1CC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000852433841 583545814 /nfs/dbraw/zinc/54/58/14/583545814.db2.gz XSOKJEYJUUSQIL-CHWSQXEVSA-N 2 2 283.372 -0.030 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](N3CCOC3=O)C2)CC1 ZINC000852432744 583545878 /nfs/dbraw/zinc/54/58/78/583545878.db2.gz OVUFUGSVJKSSJW-LBPRGKRZSA-N 2 2 296.371 -0.713 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](N3CCOC3=O)C2)CC1 ZINC000852432744 583545879 /nfs/dbraw/zinc/54/58/79/583545879.db2.gz OVUFUGSVJKSSJW-LBPRGKRZSA-N 2 2 296.371 -0.713 20 0 CBADLP C[N@H+](C[C@@H](O)C[NH+]1CC[C@H](N2CCOC2=O)C1)C1CC1 ZINC000852439126 583546588 /nfs/dbraw/zinc/54/65/88/583546588.db2.gz BMJAQTXBHGDLJS-QWHCGFSZSA-N 2 2 283.372 -0.032 20 0 CBADLP C[N@@H+](C[C@@H](O)C[NH+]1CC[C@H](N2CCOC2=O)C1)C1CC1 ZINC000852439126 583546589 /nfs/dbraw/zinc/54/65/89/583546589.db2.gz BMJAQTXBHGDLJS-QWHCGFSZSA-N 2 2 283.372 -0.032 20 0 CBADLP C[NH+](C[C@@H](O)C[N@@H+]1CC[C@H](N2CCOC2=O)C1)C1CC1 ZINC000852439126 583546590 /nfs/dbraw/zinc/54/65/90/583546590.db2.gz BMJAQTXBHGDLJS-QWHCGFSZSA-N 2 2 283.372 -0.032 20 0 CBADLP C[NH+](C[C@@H](O)C[N@H+]1CC[C@H](N2CCOC2=O)C1)C1CC1 ZINC000852439126 583546591 /nfs/dbraw/zinc/54/65/91/583546591.db2.gz BMJAQTXBHGDLJS-QWHCGFSZSA-N 2 2 283.372 -0.032 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000852846908 583559839 /nfs/dbraw/zinc/55/98/39/583559839.db2.gz LMMIBXVJFQMMSX-CYBMUJFWSA-N 3 2 274.384 -0.312 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000852846908 583559841 /nfs/dbraw/zinc/55/98/41/583559841.db2.gz LMMIBXVJFQMMSX-CYBMUJFWSA-N 3 2 274.384 -0.312 20 0 CBADLP C[C@H]([C@H](C)NC(=O)C1=NO[C@@H](C[NH3+])C1)[NH+]1CCOCC1 ZINC000852867368 583564358 /nfs/dbraw/zinc/56/43/58/583564358.db2.gz UYXQCPGZVFKAPC-HBNTYKKESA-N 2 2 284.360 -0.685 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)C2=NO[C@H](C[NH3+])C2)[C@@H](C)CO1 ZINC000852903115 583572595 /nfs/dbraw/zinc/57/25/95/583572595.db2.gz VNUAUVNDVYCEFY-AXFHLTTASA-N 2 2 284.360 -0.685 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)C2=NO[C@H](C[NH3+])C2)[C@@H](C)CO1 ZINC000852903115 583572596 /nfs/dbraw/zinc/57/25/96/583572596.db2.gz VNUAUVNDVYCEFY-AXFHLTTASA-N 2 2 284.360 -0.685 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852903306 583572621 /nfs/dbraw/zinc/57/26/21/583572621.db2.gz YJLFAAIPZZOCNX-LLVKDONJSA-N 3 2 285.392 -0.910 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852903306 583572622 /nfs/dbraw/zinc/57/26/22/583572622.db2.gz YJLFAAIPZZOCNX-LLVKDONJSA-N 3 2 285.392 -0.910 20 0 CBADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)CC[NH+]1CCOCC1 ZINC000855409896 583638175 /nfs/dbraw/zinc/63/81/75/583638175.db2.gz HGJFFTGLPXPRHV-KGLIPLIRSA-N 2 2 299.415 -0.066 20 0 CBADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)CC[NH+]1CCOCC1 ZINC000855409896 583638178 /nfs/dbraw/zinc/63/81/78/583638178.db2.gz HGJFFTGLPXPRHV-KGLIPLIRSA-N 2 2 299.415 -0.066 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)CC[NH+]2CCOCC2)[C@@H](C)CO1 ZINC000855409897 583638186 /nfs/dbraw/zinc/63/81/86/583638186.db2.gz HGJFFTGLPXPRHV-UONOGXRCSA-N 2 2 299.415 -0.066 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)CC[NH+]2CCOCC2)[C@@H](C)CO1 ZINC000855409897 583638190 /nfs/dbraw/zinc/63/81/90/583638190.db2.gz HGJFFTGLPXPRHV-UONOGXRCSA-N 2 2 299.415 -0.066 20 0 CBADLP COC(=O)N(C)CC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000855417211 583638886 /nfs/dbraw/zinc/63/88/86/583638886.db2.gz VPXADHSYAISVLV-UHFFFAOYSA-N 2 2 288.392 -0.316 20 0 CBADLP COC(=O)N(C)CC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000855417211 583638888 /nfs/dbraw/zinc/63/88/88/583638888.db2.gz VPXADHSYAISVLV-UHFFFAOYSA-N 2 2 288.392 -0.316 20 0 CBADLP Cn1cc(C[NH2+]CC(=O)N2CC[NH+](C)CC2)c(Cl)n1 ZINC000856768090 583660810 /nfs/dbraw/zinc/66/08/10/583660810.db2.gz NYTJKSDWIILTGH-UHFFFAOYSA-N 2 2 285.779 -0.063 20 0 CBADLP COC(=O)[C@@]1(OC)CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000859560760 583724944 /nfs/dbraw/zinc/72/49/44/583724944.db2.gz JHQVKWTYPHGWND-GXTWGEPZSA-N 2 2 286.372 -0.293 20 0 CBADLP COC(=O)[C@@]1(OC)CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000859560760 583724946 /nfs/dbraw/zinc/72/49/46/583724946.db2.gz JHQVKWTYPHGWND-GXTWGEPZSA-N 2 2 286.372 -0.293 20 0 CBADLP COC(=O)[C@]1(OC)CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000859560764 583724991 /nfs/dbraw/zinc/72/49/91/583724991.db2.gz JHQVKWTYPHGWND-JSGCOSHPSA-N 2 2 286.372 -0.293 20 0 CBADLP COC(=O)[C@]1(OC)CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000859560764 583724993 /nfs/dbraw/zinc/72/49/93/583724993.db2.gz JHQVKWTYPHGWND-JSGCOSHPSA-N 2 2 286.372 -0.293 20 0 CBADLP COC(=O)[C@]1(OC)CC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000859560766 583724999 /nfs/dbraw/zinc/72/49/99/583724999.db2.gz JHQVKWTYPHGWND-OCCSQVGLSA-N 2 2 286.372 -0.293 20 0 CBADLP COC(=O)[C@]1(OC)CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000859560766 583725002 /nfs/dbraw/zinc/72/50/02/583725002.db2.gz JHQVKWTYPHGWND-OCCSQVGLSA-N 2 2 286.372 -0.293 20 0 CBADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000859655221 583726728 /nfs/dbraw/zinc/72/67/28/583726728.db2.gz KSCCDDHTZYHRDE-OLZOCXBDSA-N 2 2 269.389 -0.004 20 0 CBADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000859655221 583726731 /nfs/dbraw/zinc/72/67/31/583726731.db2.gz KSCCDDHTZYHRDE-OLZOCXBDSA-N 2 2 269.389 -0.004 20 0 CBADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860168372 583740847 /nfs/dbraw/zinc/74/08/47/583740847.db2.gz UXKXYZMIAPCYNS-GRYCIOLGSA-N 2 2 256.346 -0.208 20 0 CBADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860168372 583740848 /nfs/dbraw/zinc/74/08/48/583740848.db2.gz UXKXYZMIAPCYNS-GRYCIOLGSA-N 2 2 256.346 -0.208 20 0 CBADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860168372 583740850 /nfs/dbraw/zinc/74/08/50/583740850.db2.gz UXKXYZMIAPCYNS-GRYCIOLGSA-N 2 2 256.346 -0.208 20 0 CBADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860168372 583740852 /nfs/dbraw/zinc/74/08/52/583740852.db2.gz UXKXYZMIAPCYNS-GRYCIOLGSA-N 2 2 256.346 -0.208 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000861682716 583777423 /nfs/dbraw/zinc/77/74/23/583777423.db2.gz YXHZUJGNLXWUAE-NWDGAFQWSA-N 2 2 270.377 -0.303 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000861682716 583777426 /nfs/dbraw/zinc/77/74/26/583777426.db2.gz YXHZUJGNLXWUAE-NWDGAFQWSA-N 2 2 270.377 -0.303 20 0 CBADLP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000861750029 583783675 /nfs/dbraw/zinc/78/36/75/583783675.db2.gz CZHHSRDVHFKGIJ-SNVBAGLBSA-N 2 2 289.339 -0.244 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1CCOC(=O)N1 ZINC000862171201 583801863 /nfs/dbraw/zinc/80/18/63/583801863.db2.gz BQAQRQHPHGIUDO-LLVKDONJSA-N 2 2 286.376 -0.515 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1CCOC(=O)N1 ZINC000862171201 583801865 /nfs/dbraw/zinc/80/18/65/583801865.db2.gz BQAQRQHPHGIUDO-LLVKDONJSA-N 2 2 286.376 -0.515 20 0 CBADLP C[N@@H+]1CCN(C(=O)COCc2cccnc2)[C@@H](C[NH3+])C1 ZINC000863585228 583847651 /nfs/dbraw/zinc/84/76/51/583847651.db2.gz RTVVVDKSLNWPNP-ZDUSSCGKSA-N 2 2 278.356 -0.301 20 0 CBADLP C[N@H+]1CCN(C(=O)COCc2cccnc2)[C@@H](C[NH3+])C1 ZINC000863585228 583847652 /nfs/dbraw/zinc/84/76/52/583847652.db2.gz RTVVVDKSLNWPNP-ZDUSSCGKSA-N 2 2 278.356 -0.301 20 0 CBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C[C@H]([NH3+])C1CC1 ZINC000863582236 583847690 /nfs/dbraw/zinc/84/76/90/583847690.db2.gz DUEOQPAZZBRVMP-STQMWFEESA-N 2 2 285.388 -0.735 20 0 CBADLP CON(C)C(=O)[C@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000863588049 583847917 /nfs/dbraw/zinc/84/79/17/583847917.db2.gz ZBHCAFNLYXVPPH-WDEREUQCSA-N 2 2 259.350 -0.559 20 0 CBADLP CON(C)C(=O)[C@@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000863587572 583847940 /nfs/dbraw/zinc/84/79/40/583847940.db2.gz ZBHCAFNLYXVPPH-GHMZBOCLSA-N 2 2 259.350 -0.559 20 0 CBADLP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000863750894 583852519 /nfs/dbraw/zinc/85/25/19/583852519.db2.gz YWEPUMBKQSDFCH-GHMZBOCLSA-N 2 2 293.371 -0.079 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000864080522 583872481 /nfs/dbraw/zinc/87/24/81/583872481.db2.gz HAHREGLXZFAJPW-LLVKDONJSA-N 2 2 253.346 -0.471 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000864080522 583872482 /nfs/dbraw/zinc/87/24/82/583872482.db2.gz HAHREGLXZFAJPW-LLVKDONJSA-N 2 2 253.346 -0.471 20 0 CBADLP CC(=O)NCCc1cn(CC[N@@H+](C)CCC[NH+](C)C)nn1 ZINC000864645427 583885310 /nfs/dbraw/zinc/88/53/10/583885310.db2.gz AYXFRJIYQGONOT-UHFFFAOYSA-N 2 2 296.419 -0.160 20 0 CBADLP CC(=O)NCCc1cn(CC[N@H+](C)CCC[NH+](C)C)nn1 ZINC000864645427 583885312 /nfs/dbraw/zinc/88/53/12/583885312.db2.gz AYXFRJIYQGONOT-UHFFFAOYSA-N 2 2 296.419 -0.160 20 0 CBADLP COCC[N@H+](C)CCCNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000864864541 583890958 /nfs/dbraw/zinc/89/09/58/583890958.db2.gz BGLKTLFJDRHIHY-HYXAFXHYSA-N 2 2 299.415 -0.041 20 0 CBADLP COCC[N@@H+](C)CCCNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000864864541 583890960 /nfs/dbraw/zinc/89/09/60/583890960.db2.gz BGLKTLFJDRHIHY-HYXAFXHYSA-N 2 2 299.415 -0.041 20 0 CBADLP CN(CC[NH+]1CCCC1)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000865159540 583898721 /nfs/dbraw/zinc/89/87/21/583898721.db2.gz NKWQAGUJGYTPAR-NSHDSACASA-N 2 2 252.318 -0.003 20 0 CBADLP [NH3+][C@H]1C[C@H](CNC(=O)NCC[NH+]2CCOCC2)C1 ZINC000865343998 583903776 /nfs/dbraw/zinc/90/37/76/583903776.db2.gz WUFHVGIXUDOHSX-XYPYZODXSA-N 2 2 256.350 -0.645 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@H]3CCC(=O)O3)C2)CC1 ZINC000865749102 583908578 /nfs/dbraw/zinc/90/85/78/583908578.db2.gz NPTMOAUCJSHDPC-WCQYABFASA-N 2 2 295.383 -0.023 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@H]3CCC(=O)O3)C2)CC1 ZINC000865749102 583908579 /nfs/dbraw/zinc/90/85/79/583908579.db2.gz NPTMOAUCJSHDPC-WCQYABFASA-N 2 2 295.383 -0.023 20 0 CBADLP Cc1nc(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)nc(N)[nH+]1 ZINC000866010787 583914402 /nfs/dbraw/zinc/91/44/02/583914402.db2.gz NFMZWOSTWIXMRQ-VXGBXAGGSA-N 3 2 293.419 -0.062 20 0 CBADLP Cc1nc(N)nc(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)[nH+]1 ZINC000866010787 583914403 /nfs/dbraw/zinc/91/44/03/583914403.db2.gz NFMZWOSTWIXMRQ-VXGBXAGGSA-N 3 2 293.419 -0.062 20 0 CBADLP COCCC[N@H+](C)CCNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000866074856 583915543 /nfs/dbraw/zinc/91/55/43/583915543.db2.gz HOLMGVUSAZHFIS-HWKANZROSA-N 2 2 299.415 -0.041 20 0 CBADLP CNC(=O)NC[C@@H]1CCCC[N@@H+]1C[C@H]1C[NH2+]CCO1 ZINC000866685066 583927073 /nfs/dbraw/zinc/92/70/73/583927073.db2.gz BIXOCMXKYRIBMW-NWDGAFQWSA-N 2 2 270.377 -0.242 20 0 CBADLP CNC(=O)NC[C@@H]1CCCC[N@H+]1C[C@H]1C[NH2+]CCO1 ZINC000866685066 583927075 /nfs/dbraw/zinc/92/70/75/583927075.db2.gz BIXOCMXKYRIBMW-NWDGAFQWSA-N 2 2 270.377 -0.242 20 0 CBADLP O=C1NCCO[C@@H]2CCC[N@H+](C[C@@H]3CC[NH2+]C3)[C@@H]12 ZINC000866717942 583928691 /nfs/dbraw/zinc/92/86/91/583928691.db2.gz USFSIKVHJSKKBQ-IJLUTSLNSA-N 2 2 253.346 -0.425 20 0 CBADLP O=C1NCCO[C@@H]2CCC[N@@H+](C[C@@H]3CC[NH2+]C3)[C@@H]12 ZINC000866717942 583928693 /nfs/dbraw/zinc/92/86/93/583928693.db2.gz USFSIKVHJSKKBQ-IJLUTSLNSA-N 2 2 253.346 -0.425 20 0 CBADLP C[NH+](C)C1CN(C(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000867068587 583940165 /nfs/dbraw/zinc/94/01/65/583940165.db2.gz AICGBGKKCYMZKD-ONEGZZNKSA-N 2 2 253.346 -0.353 20 0 CBADLP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)[C@H](C)C1 ZINC000867525260 583956670 /nfs/dbraw/zinc/95/66/70/583956670.db2.gz OPQUGRLRPGGGOL-SCVCMEIPSA-N 2 2 282.344 -0.643 20 0 CBADLP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)[C@H](C)C1 ZINC000867525260 583956672 /nfs/dbraw/zinc/95/66/72/583956672.db2.gz OPQUGRLRPGGGOL-SCVCMEIPSA-N 2 2 282.344 -0.643 20 0 CBADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000868415220 583978529 /nfs/dbraw/zinc/97/85/29/583978529.db2.gz CKHCWHAQHUJVTR-WDEREUQCSA-N 2 2 291.355 -0.279 20 0 CBADLP C[NH+](C)CCONC(=O)/C=C\C[NH+]1CCOCC1 ZINC000868629515 583982966 /nfs/dbraw/zinc/98/29/66/583982966.db2.gz POQIJFGAUJDUTB-ARJAWSKDSA-N 2 2 257.334 -0.516 20 0 CBADLP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000868896516 583989156 /nfs/dbraw/zinc/98/91/56/583989156.db2.gz NHZTTWQEBXYGMV-FOGDFJRCSA-N 2 2 282.344 -0.643 20 0 CBADLP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000868896516 583989158 /nfs/dbraw/zinc/98/91/58/583989158.db2.gz NHZTTWQEBXYGMV-FOGDFJRCSA-N 2 2 282.344 -0.643 20 0 CBADLP O=C([C@@H](O)c1c[nH+]c[nH]1)N1CC[NH+](CCCF)CC1 ZINC000869113155 583993166 /nfs/dbraw/zinc/99/31/66/583993166.db2.gz JVQJIPQFGKTKJB-NSHDSACASA-N 2 2 270.308 -0.053 20 0 CBADLP O=C(/C=C/C[NH+]1CCOCC1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000869194524 583995624 /nfs/dbraw/zinc/99/56/24/583995624.db2.gz FDZUWWKSWXIHMB-OHVOQOPOSA-N 2 2 295.383 -0.848 20 0 CBADLP O=C(/C=C/C[NH+]1CCOCC1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000869194524 583995625 /nfs/dbraw/zinc/99/56/25/583995625.db2.gz FDZUWWKSWXIHMB-OHVOQOPOSA-N 2 2 295.383 -0.848 20 0 CBADLP O=C(/C=C/C[NH+]1CCOCC1)NCC[N@H+]1CC[C@H](O)C1 ZINC000869502499 584000972 /nfs/dbraw/zinc/00/09/72/584000972.db2.gz RFNSLVQCZMNCPO-AORQRIRUSA-N 2 2 283.372 -0.942 20 0 CBADLP O=C(/C=C/C[NH+]1CCOCC1)NCC[N@@H+]1CC[C@H](O)C1 ZINC000869502499 584000973 /nfs/dbraw/zinc/00/09/73/584000973.db2.gz RFNSLVQCZMNCPO-AORQRIRUSA-N 2 2 283.372 -0.942 20 0 CBADLP C[N@@H+]1CCN(C(=O)[C@H]2CC[C@@H]([NH3+])CC2)[C@@H](C[NH3+])C1 ZINC000870938875 584022283 /nfs/dbraw/zinc/02/22/83/584022283.db2.gz VQJYVTOIMHROAT-TUAOUCFPSA-N 3 2 254.378 -0.395 20 0 CBADLP C[N@H+]1CCN(C(=O)[C@H]2CC[C@@H]([NH3+])CC2)[C@@H](C[NH3+])C1 ZINC000870938875 584022285 /nfs/dbraw/zinc/02/22/85/584022285.db2.gz VQJYVTOIMHROAT-TUAOUCFPSA-N 3 2 254.378 -0.395 20 0 CBADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1C[C@]2(C)CS(=O)(=O)C[C@]2(C)C1 ZINC000872149084 584048071 /nfs/dbraw/zinc/04/80/71/584048071.db2.gz TZCMIXLRHPJFSM-FRRDWIJNSA-N 2 2 290.429 -0.287 20 0 CBADLP C[NH2+]C[C@@](C)(O)C[N@H+]1C[C@]2(C)CS(=O)(=O)C[C@]2(C)C1 ZINC000872149084 584048073 /nfs/dbraw/zinc/04/80/73/584048073.db2.gz TZCMIXLRHPJFSM-FRRDWIJNSA-N 2 2 290.429 -0.287 20 0 CBADLP CS(=O)(=O)NCC[N@@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872148555 584048165 /nfs/dbraw/zinc/04/81/65/584048165.db2.gz KCWTVEADYTZYLY-JGVFFNPUSA-N 2 2 289.323 -0.395 20 0 CBADLP CS(=O)(=O)NCC[N@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872148555 584048167 /nfs/dbraw/zinc/04/81/67/584048167.db2.gz KCWTVEADYTZYLY-JGVFFNPUSA-N 2 2 289.323 -0.395 20 0 CBADLP CON(C)C(=O)CC[NH2+][C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000872219351 584050998 /nfs/dbraw/zinc/05/09/98/584050998.db2.gz YZGLQSRYYXJZGR-NSHDSACASA-N 2 2 273.377 -0.169 20 0 CBADLP CON(C)C(=O)CC[NH2+][C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000872219351 584051000 /nfs/dbraw/zinc/05/10/00/584051000.db2.gz YZGLQSRYYXJZGR-NSHDSACASA-N 2 2 273.377 -0.169 20 0 CBADLP C[C@H](O)[C@@H](O)C[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000872225380 584051225 /nfs/dbraw/zinc/05/12/25/584051225.db2.gz JGJXZXPJOWIDJH-QEJZJMRPSA-N 2 2 282.384 -0.189 20 0 CBADLP C[C@H](O)[C@@H](O)C[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000872225380 584051226 /nfs/dbraw/zinc/05/12/26/584051226.db2.gz JGJXZXPJOWIDJH-QEJZJMRPSA-N 2 2 282.384 -0.189 20 0 CBADLP Cn1ccc(C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)n1 ZINC000872254355 584052385 /nfs/dbraw/zinc/05/23/85/584052385.db2.gz AOAQNYSNLHSIKS-XQQFMLRXSA-N 2 2 291.355 -0.213 20 0 CBADLP Cn1ccc(C[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)n1 ZINC000872254355 584052388 /nfs/dbraw/zinc/05/23/88/584052388.db2.gz AOAQNYSNLHSIKS-XQQFMLRXSA-N 2 2 291.355 -0.213 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CC[NH2+]CCC1(C)C ZINC000872301889 584054975 /nfs/dbraw/zinc/05/49/75/584054975.db2.gz WRKIDFXURCORGN-LLVKDONJSA-N 3 2 256.394 -0.134 20 0 CBADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@]12COC(=O)N1CCOC2 ZINC000873252091 584069150 /nfs/dbraw/zinc/06/91/50/584069150.db2.gz YKSRVSZFNGWQND-NTZNESFSSA-N 2 2 269.345 -0.205 20 0 CBADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@]12COCCN1C(=O)COC2 ZINC000873267222 584069828 /nfs/dbraw/zinc/06/98/28/584069828.db2.gz YDARECOULMNGQE-DYEKYZERSA-N 2 2 283.372 -0.798 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)C[NH+]2CCCC2)CC1 ZINC000874034326 584076084 /nfs/dbraw/zinc/07/60/84/584076084.db2.gz CUHWKCQONWHJDK-UHFFFAOYSA-N 2 2 282.388 -0.638 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)C[NH+]1CCCC1 ZINC000874297761 584080748 /nfs/dbraw/zinc/08/07/48/584080748.db2.gz HHWPDTAPCXFECM-UHFFFAOYSA-N 2 2 255.362 -0.127 20 0 CBADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC000874702887 584088982 /nfs/dbraw/zinc/08/89/82/584088982.db2.gz PFZJTMHLSZBNNL-KGLIPLIRSA-N 2 2 299.415 -0.066 20 0 CBADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC000874702887 584088984 /nfs/dbraw/zinc/08/89/84/584088984.db2.gz PFZJTMHLSZBNNL-KGLIPLIRSA-N 2 2 299.415 -0.066 20 0 CBADLP CC[C@@H]1COCC[NH+]1CCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000874702887 584088987 /nfs/dbraw/zinc/08/89/87/584088987.db2.gz PFZJTMHLSZBNNL-KGLIPLIRSA-N 2 2 299.415 -0.066 20 0 CBADLP CC[C@@H]1COCC[NH+]1CCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000874702887 584088989 /nfs/dbraw/zinc/08/89/89/584088989.db2.gz PFZJTMHLSZBNNL-KGLIPLIRSA-N 2 2 299.415 -0.066 20 0 CBADLP O=C(/C=C/C[NH+]1CCOCC1)NC[C@@H]1CCC[NH2+]1 ZINC000876522179 584131115 /nfs/dbraw/zinc/13/11/15/584131115.db2.gz KGVZIXLJCYPBIA-KMOQFTEPSA-N 2 2 253.346 -0.257 20 0 CBADLP C[NH2+]C[C@@H]1CCN(C(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000876527005 584131225 /nfs/dbraw/zinc/13/12/25/584131225.db2.gz OOMOONRXLOPBRG-IBUXWKBASA-N 2 2 267.373 -0.057 20 0 CBADLP CN(CCN1CC[NH2+]CC1)C(=O)/C=C\C[NH+]1CCOCC1 ZINC000876526390 584131258 /nfs/dbraw/zinc/13/12/58/584131258.db2.gz SLCXBVQEVSCEFE-IHWYPQMZSA-N 2 2 296.415 -0.762 20 0 CBADLP CC(C)[C@@H]([NH3+])CNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000876536878 584132183 /nfs/dbraw/zinc/13/21/83/584132183.db2.gz UBBATZJZRYBKPF-MVZIDQBPSA-N 2 2 255.362 -0.026 20 0 CBADLP CC(C)N1C(=O)CC[C@H]1C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000876542216 584132450 /nfs/dbraw/zinc/13/24/50/584132450.db2.gz LPFASCXNFDWNCC-NEPJUHHUSA-N 2 2 282.388 -0.513 20 0 CBADLP CC(C)N1C(=O)CC[C@H]1C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000876542216 584132453 /nfs/dbraw/zinc/13/24/53/584132453.db2.gz LPFASCXNFDWNCC-NEPJUHHUSA-N 2 2 282.388 -0.513 20 0 CBADLP C[C@@H](C(=O)N(C)C1CCC([NH3+])CC1)N1CC[NH2+]CC1=O ZINC000876540905 584132511 /nfs/dbraw/zinc/13/25/11/584132511.db2.gz QJKOAGOBBDSPPC-UNXYVOJBSA-N 2 2 282.388 -0.465 20 0 CBADLP C[N@@H+]1CCN(C(=O)/C=C\[C@@H]2CCC[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000876542753 584132696 /nfs/dbraw/zinc/13/26/96/584132696.db2.gz SREWDNNTXYHRNT-AIMRDXAKSA-N 3 2 266.389 -0.357 20 0 CBADLP C[N@H+]1CCN(C(=O)/C=C\[C@@H]2CCC[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000876542753 584132698 /nfs/dbraw/zinc/13/26/98/584132698.db2.gz SREWDNNTXYHRNT-AIMRDXAKSA-N 3 2 266.389 -0.357 20 0 CBADLP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)NCC[NH+]1CCOCC1 ZINC000876707760 584140426 /nfs/dbraw/zinc/14/04/26/584140426.db2.gz QPOKINUHZPNXQX-GHMZBOCLSA-N 2 2 255.362 -0.192 20 0 CBADLP C[NH+](C)C[C@H](N)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000876711435 584140433 /nfs/dbraw/zinc/14/04/33/584140433.db2.gz WNHDCMCGGBCZRI-NSHDSACASA-N 2 2 261.329 -0.161 20 0 CBADLP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)NCC[NH+]1CCOCC1 ZINC000876707763 584140457 /nfs/dbraw/zinc/14/04/57/584140457.db2.gz QPOKINUHZPNXQX-WDEREUQCSA-N 2 2 255.362 -0.192 20 0 CBADLP CCOCC[NH+]1CCN(C(=O)[C@@H](N)C[NH+](C)C)CC1 ZINC000876717761 584140662 /nfs/dbraw/zinc/14/06/62/584140662.db2.gz HEPQVTBVXBWIFN-LBPRGKRZSA-N 2 2 272.393 -0.944 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876723989 584140909 /nfs/dbraw/zinc/14/09/09/584140909.db2.gz KGHXFJQJACUHGJ-WOPDTQHZSA-N 2 2 273.352 -0.229 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@H]2C[C@@H]([NH3+])C2(C)C)CC1 ZINC000876723723 584140921 /nfs/dbraw/zinc/14/09/21/584140921.db2.gz GIJXIRDIQVEDFP-CHWSQXEVSA-N 2 2 296.415 -0.360 20 0 CBADLP C[C@H](NC(=O)c1c(C[NH3+])cnn1C)[C@H](C)[NH+]1CCOCC1 ZINC000876756737 584142932 /nfs/dbraw/zinc/14/29/32/584142932.db2.gz XHMLGGRASZRDPN-QWRGUYRKSA-N 2 2 295.387 -0.282 20 0 CBADLP C[C@H](C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)N1CC[NH2+]CC1=O ZINC000876768337 584143555 /nfs/dbraw/zinc/14/35/55/584143555.db2.gz HUVYRCPJPNFYCA-UPJWGTAASA-N 2 2 296.415 -0.204 20 0 CBADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876783114 584144225 /nfs/dbraw/zinc/14/42/25/584144225.db2.gz ZYLREVHSOHTQHR-VWYCJHECSA-N 2 2 290.358 -0.422 20 0 CBADLP C[C@@H](C(=O)N1CCC2(C1)CC[NH2+]CC2)N1CC[NH2+]CC1=O ZINC000876793495 584145174 /nfs/dbraw/zinc/14/51/74/584145174.db2.gz OVGNKOZCFNWSFO-LBPRGKRZSA-N 2 2 294.399 -0.591 20 0 CBADLP O=C(/C=C\C[NH+]1CCOCC1)NCC1=CC[NH2+]CC1 ZINC000876808840 584147170 /nfs/dbraw/zinc/14/71/70/584147170.db2.gz BPDUMRJOSFXSGW-UPHRSURJSA-N 2 2 265.357 -0.089 20 0 CBADLP C[C@@H](C(=O)N1CC[C@]2(C1)CCC[NH2+]C2)N1CC[NH2+]CC1=O ZINC000876843733 584148685 /nfs/dbraw/zinc/14/86/85/584148685.db2.gz UBLGRVVXZZVABF-SWLSCSKDSA-N 2 2 294.399 -0.591 20 0 CBADLP CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000876846503 584149173 /nfs/dbraw/zinc/14/91/73/584149173.db2.gz CEVHAPHNBFTTGY-MNOVXSKESA-N 2 2 255.362 -0.504 20 0 CBADLP O=C(CN1CC[NH2+]CC1)NC[C@H]1CC[NH2+]CC1(F)F ZINC000876862315 584150704 /nfs/dbraw/zinc/15/07/04/584150704.db2.gz MQRXNAXHXJMINL-SNVBAGLBSA-N 2 2 276.331 -0.747 20 0 CBADLP O=C(/C=C/C[NH+]1CCOCC1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000876870711 584151547 /nfs/dbraw/zinc/15/15/47/584151547.db2.gz CSNKQDXFORWWBI-XXUGLENDSA-N 2 2 265.357 -0.305 20 0 CBADLP O=C(CN1CC[NH2+]CC1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000876903084 584154410 /nfs/dbraw/zinc/15/44/10/584154410.db2.gz KFUINBQHDJQGDJ-NSHDSACASA-N 2 2 263.345 -0.022 20 0 CBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C=C1CC[NH2+]CC1 ZINC000876987042 584159842 /nfs/dbraw/zinc/15/98/42/584159842.db2.gz PRWRJEUPWYRUHY-CQSZACIVSA-N 2 2 297.399 -0.552 20 0 CBADLP C[C@H](C(=O)N1CC[N@H+](C)C(C)(C)CC1)N1CC[NH2+]CC1=O ZINC000877206545 584170414 /nfs/dbraw/zinc/17/04/14/584170414.db2.gz JZPXSJVJIWGOLV-GFCCVEGCSA-N 2 2 296.415 -0.251 20 0 CBADLP C[C@H](C(=O)N1CC[N@@H+](C)C(C)(C)CC1)N1CC[NH2+]CC1=O ZINC000877206545 584170417 /nfs/dbraw/zinc/17/04/17/584170417.db2.gz JZPXSJVJIWGOLV-GFCCVEGCSA-N 2 2 296.415 -0.251 20 0 CBADLP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)C1(O)C[NH2+]C1 ZINC000877247522 584172350 /nfs/dbraw/zinc/17/23/50/584172350.db2.gz NSPUSJIKSCOPSH-GFCCVEGCSA-N 2 2 261.325 -0.376 20 0 CBADLP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)C1(O)C[NH2+]C1 ZINC000877247522 584172352 /nfs/dbraw/zinc/17/23/52/584172352.db2.gz NSPUSJIKSCOPSH-GFCCVEGCSA-N 2 2 261.325 -0.376 20 0 CBADLP C[C@H](C(=O)N[C@@H](C)C1CC[NH2+]CC1)N1CC[NH2+]CC1=O ZINC000877254168 584173334 /nfs/dbraw/zinc/17/33/34/584173334.db2.gz QBBVIJMICLZQNE-WDEREUQCSA-N 2 2 282.388 -0.689 20 0 CBADLP C[C@@H](NC(=O)[C@H](C)N1CC[NH2+]CC1=O)C1CC[NH2+]CC1 ZINC000877254261 584173342 /nfs/dbraw/zinc/17/33/42/584173342.db2.gz QBBVIJMICLZQNE-MNOVXSKESA-N 2 2 282.388 -0.689 20 0 CBADLP C[N@@H+]1CCn2nc(NC(=O)[C@@]3(C)C[NH2+]CCO3)cc2C1 ZINC000877265884 584173799 /nfs/dbraw/zinc/17/37/99/584173799.db2.gz KLYSNGLCBOIOKC-CYBMUJFWSA-N 2 2 279.344 -0.355 20 0 CBADLP C[N@H+]1CCn2nc(NC(=O)[C@@]3(C)C[NH2+]CCO3)cc2C1 ZINC000877265884 584173801 /nfs/dbraw/zinc/17/38/01/584173801.db2.gz KLYSNGLCBOIOKC-CYBMUJFWSA-N 2 2 279.344 -0.355 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877276190 584175500 /nfs/dbraw/zinc/17/55/00/584175500.db2.gz DGSPULRZSWBUKN-STQMWFEESA-N 2 2 296.415 -0.204 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877276190 584175501 /nfs/dbraw/zinc/17/55/01/584175501.db2.gz DGSPULRZSWBUKN-STQMWFEESA-N 2 2 296.415 -0.204 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877388744 584180396 /nfs/dbraw/zinc/18/03/96/584180396.db2.gz FFBJIDFVQUIUIX-IUODEOHRSA-N 2 2 296.415 -0.156 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877388744 584180397 /nfs/dbraw/zinc/18/03/97/584180397.db2.gz FFBJIDFVQUIUIX-IUODEOHRSA-N 2 2 296.415 -0.156 20 0 CBADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CSC[NH2+]1 ZINC000877433592 584181156 /nfs/dbraw/zinc/18/11/56/584181156.db2.gz XSBDONMSSXJMSO-WDEREUQCSA-N 2 2 273.402 -0.124 20 0 CBADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@H]1CSC[NH2+]1 ZINC000877433592 584181159 /nfs/dbraw/zinc/18/11/59/584181159.db2.gz XSBDONMSSXJMSO-WDEREUQCSA-N 2 2 273.402 -0.124 20 0 CBADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000877433076 584181262 /nfs/dbraw/zinc/18/12/62/584181262.db2.gz ISFPCTUCWYJFMR-YPMHNXCESA-N 2 2 273.352 -0.085 20 0 CBADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000877433076 584181264 /nfs/dbraw/zinc/18/12/64/584181264.db2.gz ISFPCTUCWYJFMR-YPMHNXCESA-N 2 2 273.352 -0.085 20 0 CBADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000877432785 584181275 /nfs/dbraw/zinc/18/12/75/584181275.db2.gz HARTZEDFOJSNTQ-ZIAGYGMSSA-N 2 2 299.415 -0.018 20 0 CBADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000877432785 584181277 /nfs/dbraw/zinc/18/12/77/584181277.db2.gz HARTZEDFOJSNTQ-ZIAGYGMSSA-N 2 2 299.415 -0.018 20 0 CBADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000877434048 584181507 /nfs/dbraw/zinc/18/15/07/584181507.db2.gz MLMSRNKAIHRWGL-OCCSQVGLSA-N 2 2 285.388 -0.408 20 0 CBADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000877434048 584181510 /nfs/dbraw/zinc/18/15/10/584181510.db2.gz MLMSRNKAIHRWGL-OCCSQVGLSA-N 2 2 285.388 -0.408 20 0 CBADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)c1c(C[NH3+])cnn1C ZINC000877434185 584181672 /nfs/dbraw/zinc/18/16/72/584181672.db2.gz OPFCECNCMKTCKS-LBPRGKRZSA-N 2 2 295.387 -0.281 20 0 CBADLP CC[C@H]1COCC[N@H+]1CCNC(=O)c1c(C[NH3+])cnn1C ZINC000877434185 584181674 /nfs/dbraw/zinc/18/16/74/584181674.db2.gz OPFCECNCMKTCKS-LBPRGKRZSA-N 2 2 295.387 -0.281 20 0 CBADLP c1nnnn1CC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000878136160 584193869 /nfs/dbraw/zinc/19/38/69/584193869.db2.gz XFHBZFVLUKNTSK-LBPRGKRZSA-N 2 2 266.349 -0.673 20 0 CBADLP c1nnnn1CC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000878136160 584193871 /nfs/dbraw/zinc/19/38/71/584193871.db2.gz XFHBZFVLUKNTSK-LBPRGKRZSA-N 2 2 266.349 -0.673 20 0 CBADLP CCN1CCC[N@H+](CC(=O)NC2CC[NH+](C)CC2)CC1=O ZINC000878494987 584205968 /nfs/dbraw/zinc/20/59/68/584205968.db2.gz GNEAKBBMEDATDI-UHFFFAOYSA-N 2 2 296.415 -0.249 20 0 CBADLP CCN1CCC[N@@H+](CC(=O)NC2CC[NH+](C)CC2)CC1=O ZINC000878494987 584205971 /nfs/dbraw/zinc/20/59/71/584205971.db2.gz GNEAKBBMEDATDI-UHFFFAOYSA-N 2 2 296.415 -0.249 20 0 CBADLP COCC[C@@H]1COCC[N@@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000878636308 584211133 /nfs/dbraw/zinc/21/11/33/584211133.db2.gz FIXDKFWIUIEENT-CQSZACIVSA-N 2 2 299.415 -0.066 20 0 CBADLP COCC[C@@H]1COCC[N@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000878636308 584211135 /nfs/dbraw/zinc/21/11/35/584211135.db2.gz FIXDKFWIUIEENT-CQSZACIVSA-N 2 2 299.415 -0.066 20 0 CBADLP C[N@H+](CC(=O)NC1CC[NH+](C)CC1)C(C)(C)C(N)=O ZINC000878658787 584212373 /nfs/dbraw/zinc/21/23/73/584212373.db2.gz HKCDLFFCTOQKOD-UHFFFAOYSA-N 2 2 270.377 -0.608 20 0 CBADLP C[N@@H+](CC(=O)NC1CC[NH+](C)CC1)C(C)(C)C(N)=O ZINC000878658787 584212375 /nfs/dbraw/zinc/21/23/75/584212375.db2.gz HKCDLFFCTOQKOD-UHFFFAOYSA-N 2 2 270.377 -0.608 20 0 CBADLP C[NH+](C)C[C@]1(O)CCC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC000878866544 584219448 /nfs/dbraw/zinc/21/94/48/584219448.db2.gz UXOKLGOQEXSZEJ-GXFFZTMASA-N 2 2 269.345 -0.820 20 0 CBADLP C[NH+](C)C[C@]1(O)CCC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC000878866544 584219449 /nfs/dbraw/zinc/21/94/49/584219449.db2.gz UXOKLGOQEXSZEJ-GXFFZTMASA-N 2 2 269.345 -0.820 20 0 CBADLP NC(=O)[C@@H](F)C1CC[NH+](C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000879047406 584225204 /nfs/dbraw/zinc/22/52/04/584225204.db2.gz OEZCOLMUVCDFSO-OLZOCXBDSA-N 2 2 287.379 -0.022 20 0 CBADLP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879569598 584240898 /nfs/dbraw/zinc/24/08/98/584240898.db2.gz RYECGUYAXREGLF-HBNTYKKESA-N 2 2 268.361 -0.144 20 0 CBADLP CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879569598 584240901 /nfs/dbraw/zinc/24/09/01/584240901.db2.gz RYECGUYAXREGLF-HBNTYKKESA-N 2 2 268.361 -0.144 20 0 CBADLP CNC(=O)NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879569598 584240903 /nfs/dbraw/zinc/24/09/03/584240903.db2.gz RYECGUYAXREGLF-HBNTYKKESA-N 2 2 268.361 -0.144 20 0 CBADLP CNC(=O)NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879569598 584240906 /nfs/dbraw/zinc/24/09/06/584240906.db2.gz RYECGUYAXREGLF-HBNTYKKESA-N 2 2 268.361 -0.144 20 0 CBADLP COC(=O)CCNC(=O)C[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879567044 584240988 /nfs/dbraw/zinc/24/09/88/584240988.db2.gz LKLLEGXSBAWDLX-NEPJUHHUSA-N 2 2 283.372 -0.308 20 0 CBADLP COC(=O)CCNC(=O)C[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879567044 584240989 /nfs/dbraw/zinc/24/09/89/584240989.db2.gz LKLLEGXSBAWDLX-NEPJUHHUSA-N 2 2 283.372 -0.308 20 0 CBADLP COC(=O)CCNC(=O)C[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879567044 584240991 /nfs/dbraw/zinc/24/09/91/584240991.db2.gz LKLLEGXSBAWDLX-NEPJUHHUSA-N 2 2 283.372 -0.308 20 0 CBADLP COC(=O)CCNC(=O)C[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879567044 584240993 /nfs/dbraw/zinc/24/09/93/584240993.db2.gz LKLLEGXSBAWDLX-NEPJUHHUSA-N 2 2 283.372 -0.308 20 0 CBADLP CNS(=O)(=O)CCC[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879573843 584241194 /nfs/dbraw/zinc/24/11/94/584241194.db2.gz SLSLPVAAKUSGGT-RYUDHWBXSA-N 2 2 275.418 -0.048 20 0 CBADLP CNS(=O)(=O)CCC[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879573843 584241197 /nfs/dbraw/zinc/24/11/97/584241197.db2.gz SLSLPVAAKUSGGT-RYUDHWBXSA-N 2 2 275.418 -0.048 20 0 CBADLP CNS(=O)(=O)CCC[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879573843 584241198 /nfs/dbraw/zinc/24/11/98/584241198.db2.gz SLSLPVAAKUSGGT-RYUDHWBXSA-N 2 2 275.418 -0.048 20 0 CBADLP CNS(=O)(=O)CCC[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879573843 584241201 /nfs/dbraw/zinc/24/12/01/584241201.db2.gz SLSLPVAAKUSGGT-RYUDHWBXSA-N 2 2 275.418 -0.048 20 0 CBADLP CCS(=O)(=O)NCC[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879572116 584241398 /nfs/dbraw/zinc/24/13/98/584241398.db2.gz FKQPJPAGSOYUMW-NEPJUHHUSA-N 2 2 275.418 -0.048 20 0 CBADLP CCS(=O)(=O)NCC[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879572116 584241399 /nfs/dbraw/zinc/24/13/99/584241399.db2.gz FKQPJPAGSOYUMW-NEPJUHHUSA-N 2 2 275.418 -0.048 20 0 CBADLP CCS(=O)(=O)NCC[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879572116 584241401 /nfs/dbraw/zinc/24/14/01/584241401.db2.gz FKQPJPAGSOYUMW-NEPJUHHUSA-N 2 2 275.418 -0.048 20 0 CBADLP CCS(=O)(=O)NCC[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879572116 584241402 /nfs/dbraw/zinc/24/14/02/584241402.db2.gz FKQPJPAGSOYUMW-NEPJUHHUSA-N 2 2 275.418 -0.048 20 0 CBADLP COC(=O)CNC(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879575460 584241883 /nfs/dbraw/zinc/24/18/83/584241883.db2.gz LLRIGRDLNMZONA-TUAOUCFPSA-N 2 2 283.372 -0.310 20 0 CBADLP COC(=O)CNC(=O)[C@H](C)[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879575460 584241884 /nfs/dbraw/zinc/24/18/84/584241884.db2.gz LLRIGRDLNMZONA-TUAOUCFPSA-N 2 2 283.372 -0.310 20 0 CBADLP COC(=O)CNC(=O)[C@H](C)[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879575460 584241887 /nfs/dbraw/zinc/24/18/87/584241887.db2.gz LLRIGRDLNMZONA-TUAOUCFPSA-N 2 2 283.372 -0.310 20 0 CBADLP COC(=O)CNC(=O)[C@H](C)[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879575460 584241888 /nfs/dbraw/zinc/24/18/88/584241888.db2.gz LLRIGRDLNMZONA-TUAOUCFPSA-N 2 2 283.372 -0.310 20 0 CBADLP C[N@@H+]1CC[C@@H]2C[NH+]([C@@H]3CCC(=O)NC3=O)CC[C@H]21 ZINC000879579643 584242052 /nfs/dbraw/zinc/24/20/52/584242052.db2.gz AONCMEIQEQPQMC-GMTAPVOTSA-N 2 2 251.330 -0.182 20 0 CBADLP C[N@H+]1CC[C@@H]2C[NH+]([C@@H]3CCC(=O)NC3=O)CC[C@H]21 ZINC000879579643 584242055 /nfs/dbraw/zinc/24/20/55/584242055.db2.gz AONCMEIQEQPQMC-GMTAPVOTSA-N 2 2 251.330 -0.182 20 0 CBADLP C[NH+]1CC[C@@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)CC[C@H]21 ZINC000879579643 584242057 /nfs/dbraw/zinc/24/20/57/584242057.db2.gz AONCMEIQEQPQMC-GMTAPVOTSA-N 2 2 251.330 -0.182 20 0 CBADLP C[NH+]1CC[C@@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)CC[C@H]21 ZINC000879579643 584242059 /nfs/dbraw/zinc/24/20/59/584242059.db2.gz AONCMEIQEQPQMC-GMTAPVOTSA-N 2 2 251.330 -0.182 20 0 CBADLP C[C@H]1C[N@H+](CCN2C[C@@H]3CCC[NH+]3C[C@@H]2CO)CCO1 ZINC000880071628 584261013 /nfs/dbraw/zinc/26/10/13/584261013.db2.gz LNDBKAGUJHXCAN-SOUVJXGZSA-N 2 2 283.416 -0.152 20 0 CBADLP C[C@H]1C[N@@H+](CCN2C[C@@H]3CCC[NH+]3C[C@@H]2CO)CCO1 ZINC000880071628 584261015 /nfs/dbraw/zinc/26/10/15/584261015.db2.gz LNDBKAGUJHXCAN-SOUVJXGZSA-N 2 2 283.416 -0.152 20 0 CBADLP C[C@H]1C[NH+](CCN2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)CCO1 ZINC000880071628 584261017 /nfs/dbraw/zinc/26/10/17/584261017.db2.gz LNDBKAGUJHXCAN-SOUVJXGZSA-N 2 2 283.416 -0.152 20 0 CBADLP C[C@H]1C[NH+](CCN2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)CCO1 ZINC000880071628 584261019 /nfs/dbraw/zinc/26/10/19/584261019.db2.gz LNDBKAGUJHXCAN-SOUVJXGZSA-N 2 2 283.416 -0.152 20 0 CBADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCCS(N)(=O)=O ZINC000880130679 584263565 /nfs/dbraw/zinc/26/35/65/584263565.db2.gz FTUIXDLPROBTDE-WDEREUQCSA-N 2 2 261.391 -0.167 20 0 CBADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCCS(N)(=O)=O ZINC000880130679 584263566 /nfs/dbraw/zinc/26/35/66/584263566.db2.gz FTUIXDLPROBTDE-WDEREUQCSA-N 2 2 261.391 -0.167 20 0 CBADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCCS(N)(=O)=O ZINC000880130679 584263569 /nfs/dbraw/zinc/26/35/69/584263569.db2.gz FTUIXDLPROBTDE-WDEREUQCSA-N 2 2 261.391 -0.167 20 0 CBADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2CCCS(N)(=O)=O ZINC000880130679 584263570 /nfs/dbraw/zinc/26/35/70/584263570.db2.gz FTUIXDLPROBTDE-WDEREUQCSA-N 2 2 261.391 -0.167 20 0 CBADLP COC(=O)[C@]1(O)CC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000880564692 584280805 /nfs/dbraw/zinc/28/08/05/584280805.db2.gz DOUJRNPKOLDPHP-AAEUAGOBSA-N 2 2 272.345 -0.949 20 0 CBADLP COC(=O)[C@]1(O)CC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000880564692 584280807 /nfs/dbraw/zinc/28/08/07/584280807.db2.gz DOUJRNPKOLDPHP-AAEUAGOBSA-N 2 2 272.345 -0.949 20 0 CBADLP COC(=O)[C@]1(O)CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000880564692 584280809 /nfs/dbraw/zinc/28/08/09/584280809.db2.gz DOUJRNPKOLDPHP-AAEUAGOBSA-N 2 2 272.345 -0.949 20 0 CBADLP COC(=O)[C@]1(O)CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000880564692 584280811 /nfs/dbraw/zinc/28/08/11/584280811.db2.gz DOUJRNPKOLDPHP-AAEUAGOBSA-N 2 2 272.345 -0.949 20 0 CBADLP COC[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)[C@@H]1CCCOC1 ZINC000883180313 584338792 /nfs/dbraw/zinc/33/87/92/584338792.db2.gz ABGDDWNNSCJTPC-KGLIPLIRSA-N 2 2 299.415 -0.208 20 0 CBADLP CC[N@@H+]1CC[C@H]1CNC(=O)NC[C@H]1CN(C)CC[NH+]1C ZINC000883385213 584340934 /nfs/dbraw/zinc/34/09/34/584340934.db2.gz HKVGQAHLHJASKJ-STQMWFEESA-N 2 2 283.420 -0.374 20 0 CBADLP CC[N@H+]1CC[C@H]1CNC(=O)NC[C@H]1CN(C)CC[NH+]1C ZINC000883385213 584340936 /nfs/dbraw/zinc/34/09/36/584340936.db2.gz HKVGQAHLHJASKJ-STQMWFEESA-N 2 2 283.420 -0.374 20 0 CBADLP CC[NH+]1CC[C@H]1CNC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000883385213 584340937 /nfs/dbraw/zinc/34/09/37/584340937.db2.gz HKVGQAHLHJASKJ-STQMWFEESA-N 2 2 283.420 -0.374 20 0 CBADLP CC[NH+]1CC[C@H]1CNC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000883385213 584340939 /nfs/dbraw/zinc/34/09/39/584340939.db2.gz HKVGQAHLHJASKJ-STQMWFEESA-N 2 2 283.420 -0.374 20 0 CBADLP [NH3+]CC[N@H+](CCO)C[C@H]1CCC2(CCOCC2)O1 ZINC000883424688 584341784 /nfs/dbraw/zinc/34/17/84/584341784.db2.gz AZEDPTKFKSDUMS-GFCCVEGCSA-N 2 2 258.362 -0.032 20 0 CBADLP [NH3+]CC[N@@H+](CCO)C[C@H]1CCC2(CCOCC2)O1 ZINC000883424688 584341786 /nfs/dbraw/zinc/34/17/86/584341786.db2.gz AZEDPTKFKSDUMS-GFCCVEGCSA-N 2 2 258.362 -0.032 20 0 CBADLP CC[N@@H+]1CC[C@@H]1CNC(=O)NC[C@H]1COCC[NH+]1C ZINC000883742382 584347936 /nfs/dbraw/zinc/34/79/36/584347936.db2.gz DCLBLPYDYHLBPP-NEPJUHHUSA-N 2 2 270.377 -0.290 20 0 CBADLP CC[N@H+]1CC[C@@H]1CNC(=O)NC[C@H]1COCC[NH+]1C ZINC000883742382 584347937 /nfs/dbraw/zinc/34/79/37/584347937.db2.gz DCLBLPYDYHLBPP-NEPJUHHUSA-N 2 2 270.377 -0.290 20 0 CBADLP CC[NH+]1CC[C@@H]1CNC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000883742382 584347939 /nfs/dbraw/zinc/34/79/39/584347939.db2.gz DCLBLPYDYHLBPP-NEPJUHHUSA-N 2 2 270.377 -0.290 20 0 CBADLP CC[NH+]1CC[C@@H]1CNC(=O)NC[C@H]1COCC[N@H+]1C ZINC000883742382 584347940 /nfs/dbraw/zinc/34/79/40/584347940.db2.gz DCLBLPYDYHLBPP-NEPJUHHUSA-N 2 2 270.377 -0.290 20 0 CBADLP C[N@@H+]1CCN(C(=O)Cc2ccc(F)cn2)[C@@H](C[NH3+])C1 ZINC000884042019 584357193 /nfs/dbraw/zinc/35/71/93/584357193.db2.gz NSKQYQBQXJUYQG-LBPRGKRZSA-N 2 2 266.320 -0.136 20 0 CBADLP C[N@H+]1CCN(C(=O)Cc2ccc(F)cn2)[C@@H](C[NH3+])C1 ZINC000884042019 584357195 /nfs/dbraw/zinc/35/71/95/584357195.db2.gz NSKQYQBQXJUYQG-LBPRGKRZSA-N 2 2 266.320 -0.136 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@H]([NH3+])CC2CC2)CC1 ZINC000884189692 584364742 /nfs/dbraw/zinc/36/47/42/584364742.db2.gz LCRHGZTVZYXUII-CYBMUJFWSA-N 2 2 282.388 -0.606 20 0 CBADLP CCOCC[NH+]1CCN(C(=O)[C@@H]([NH3+])CCOC)CC1 ZINC000884184880 584364865 /nfs/dbraw/zinc/36/48/65/584364865.db2.gz CSLUFUQGAFMJAD-LBPRGKRZSA-N 2 2 273.377 -0.469 20 0 CBADLP C[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+]1CCN(C(C)=O)CC1 ZINC000884189839 584365136 /nfs/dbraw/zinc/36/51/36/584365136.db2.gz NZXXVKGFWXHZOB-AWEZNQCLSA-N 2 2 298.431 -0.099 20 0 CBADLP CC1(C)C[N@H+](CCNC(=O)c2ncoc2C[NH3+])CCO1 ZINC000884206225 584366897 /nfs/dbraw/zinc/36/68/97/584366897.db2.gz PHUKVRWKAZEWGX-UHFFFAOYSA-N 2 2 282.344 -0.026 20 0 CBADLP CC1(C)C[N@@H+](CCNC(=O)c2ncoc2C[NH3+])CCO1 ZINC000884206225 584366898 /nfs/dbraw/zinc/36/68/98/584366898.db2.gz PHUKVRWKAZEWGX-UHFFFAOYSA-N 2 2 282.344 -0.026 20 0 CBADLP COCC[C@H]([NH3+])C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000884206269 584366917 /nfs/dbraw/zinc/36/69/17/584366917.db2.gz QMAZZKRBIJKLBF-QWRGUYRKSA-N 2 2 259.350 -0.813 20 0 CBADLP COCC[C@H]([NH3+])C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000884206269 584366918 /nfs/dbraw/zinc/36/69/18/584366918.db2.gz QMAZZKRBIJKLBF-QWRGUYRKSA-N 2 2 259.350 -0.813 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)[C@@H]([NH3+])CC2CC2)CCO1 ZINC000884205776 584366923 /nfs/dbraw/zinc/36/69/23/584366923.db2.gz FZOVXGOJYAMCSE-JQWIXIFHSA-N 2 2 255.362 -0.049 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)[C@@H]([NH3+])CC2CC2)CCO1 ZINC000884205776 584366924 /nfs/dbraw/zinc/36/69/24/584366924.db2.gz FZOVXGOJYAMCSE-JQWIXIFHSA-N 2 2 255.362 -0.049 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)c2ncoc2C[NH3+])[C@H](C)CO1 ZINC000884401508 584379166 /nfs/dbraw/zinc/37/91/66/584379166.db2.gz SBIIKSDBJUEBLD-NXEZZACHSA-N 2 2 282.344 -0.028 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)c2ncoc2C[NH3+])[C@H](C)CO1 ZINC000884401508 584379169 /nfs/dbraw/zinc/37/91/69/584379169.db2.gz SBIIKSDBJUEBLD-NXEZZACHSA-N 2 2 282.344 -0.028 20 0 CBADLP CO[C@@H](C[NH3+])C(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000884413303 584380131 /nfs/dbraw/zinc/38/01/31/584380131.db2.gz PERKXJRKOYGCLU-ZDUSSCGKSA-N 2 2 285.388 -0.469 20 0 CBADLP CO[C@@H](C[NH3+])C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000884465618 584383322 /nfs/dbraw/zinc/38/33/22/584383322.db2.gz GBTNQLIQYZOIPT-ZDUSSCGKSA-N 2 2 293.371 -0.863 20 0 CBADLP O=C(NCc1ccn2cc[nH+]c2c1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884527874 584386489 /nfs/dbraw/zinc/38/64/89/584386489.db2.gz BOABOCIXWZXTPW-RYUDHWBXSA-N 2 2 299.334 -0.477 20 0 CBADLP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)C(=O)NCC[NH3+] ZINC000884672952 584394029 /nfs/dbraw/zinc/39/40/29/584394029.db2.gz IHGXJJDIQHFHSC-GFCCVEGCSA-N 2 2 276.340 -0.636 20 0 CBADLP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)C(=O)NCC[NH3+] ZINC000884672952 584394031 /nfs/dbraw/zinc/39/40/31/584394031.db2.gz IHGXJJDIQHFHSC-GFCCVEGCSA-N 2 2 276.340 -0.636 20 0 CBADLP C[C@H](C[NH3+])NC(=O)C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000884704857 584399203 /nfs/dbraw/zinc/39/92/03/584399203.db2.gz WDZNPFXGBHBWSH-ZWNOBZJWSA-N 2 2 290.367 -0.247 20 0 CBADLP C[C@H](C[NH3+])NC(=O)C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000884704857 584399204 /nfs/dbraw/zinc/39/92/04/584399204.db2.gz WDZNPFXGBHBWSH-ZWNOBZJWSA-N 2 2 290.367 -0.247 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)NCCC(C)(C)[NH3+])CC1 ZINC000885199267 584409937 /nfs/dbraw/zinc/40/99/37/584409937.db2.gz RFBRIZXTNVRMRA-UHFFFAOYSA-N 2 2 270.377 -0.606 20 0 CBADLP CC[C@H](C)[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)C(N)=O ZINC000887055948 584459363 /nfs/dbraw/zinc/45/93/63/584459363.db2.gz SNSHPLXYYYQKTF-WCQGTBRESA-N 2 2 257.378 -0.069 20 0 CBADLP CC[C@H](C)[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)C(N)=O ZINC000887055948 584459364 /nfs/dbraw/zinc/45/93/64/584459364.db2.gz SNSHPLXYYYQKTF-WCQGTBRESA-N 2 2 257.378 -0.069 20 0 CBADLP C[C@@H](C(=O)N1CCN(C)CC[N@H+](C)CC1)[NH+](C)C ZINC000888980984 584510726 /nfs/dbraw/zinc/51/07/26/584510726.db2.gz WSTAUEYBNMPOMW-LBPRGKRZSA-N 2 2 256.394 -0.358 20 0 CBADLP C[C@@H](C(=O)N1CCN(C)CC[N@@H+](C)CC1)[NH+](C)C ZINC000888980984 584510727 /nfs/dbraw/zinc/51/07/27/584510727.db2.gz WSTAUEYBNMPOMW-LBPRGKRZSA-N 2 2 256.394 -0.358 20 0 CBADLP C[C@H](C(=O)N1CCN(C)CC[N@H+](C)CC1)[NH+](C)C ZINC000888979537 584510764 /nfs/dbraw/zinc/51/07/64/584510764.db2.gz WSTAUEYBNMPOMW-GFCCVEGCSA-N 2 2 256.394 -0.358 20 0 CBADLP C[C@H](C(=O)N1CCN(C)CC[N@@H+](C)CC1)[NH+](C)C ZINC000888979537 584510765 /nfs/dbraw/zinc/51/07/65/584510765.db2.gz WSTAUEYBNMPOMW-GFCCVEGCSA-N 2 2 256.394 -0.358 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]3[C@@H]2CCC[NH+]3CCO)C1 ZINC000889766798 584535903 /nfs/dbraw/zinc/53/59/03/584535903.db2.gz DAAVWQYOBYUCRI-RDBSUJKOSA-N 2 2 297.399 -0.625 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]3[C@@H]2CCC[NH+]3CCO)C1 ZINC000889766798 584535904 /nfs/dbraw/zinc/53/59/04/584535904.db2.gz DAAVWQYOBYUCRI-RDBSUJKOSA-N 2 2 297.399 -0.625 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)C1 ZINC000889766798 584535906 /nfs/dbraw/zinc/53/59/06/584535906.db2.gz DAAVWQYOBYUCRI-RDBSUJKOSA-N 2 2 297.399 -0.625 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)C1 ZINC000889766798 584535907 /nfs/dbraw/zinc/53/59/07/584535907.db2.gz DAAVWQYOBYUCRI-RDBSUJKOSA-N 2 2 297.399 -0.625 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3[C@@H]2CCC[NH+]3CCO)C1 ZINC000889766793 584535942 /nfs/dbraw/zinc/53/59/42/584535942.db2.gz DAAVWQYOBYUCRI-IHRRRGAJSA-N 2 2 297.399 -0.625 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3[C@@H]2CCC[NH+]3CCO)C1 ZINC000889766793 584535944 /nfs/dbraw/zinc/53/59/44/584535944.db2.gz DAAVWQYOBYUCRI-IHRRRGAJSA-N 2 2 297.399 -0.625 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)C1 ZINC000889766793 584535947 /nfs/dbraw/zinc/53/59/47/584535947.db2.gz DAAVWQYOBYUCRI-IHRRRGAJSA-N 2 2 297.399 -0.625 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)C1 ZINC000889766793 584535949 /nfs/dbraw/zinc/53/59/49/584535949.db2.gz DAAVWQYOBYUCRI-IHRRRGAJSA-N 2 2 297.399 -0.625 20 0 CBADLP C[C@H](NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)[C@H](C)[NH+]1CCOCC1 ZINC000891518577 584584177 /nfs/dbraw/zinc/58/41/77/584584177.db2.gz RJMDUGJPLWZHMV-CYDGBPFRSA-N 2 2 282.388 -0.149 20 0 CBADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000891527795 584584294 /nfs/dbraw/zinc/58/42/94/584584294.db2.gz LOLJSXUKZDIFAQ-AGIUHOORSA-N 2 2 283.420 -0.247 20 0 CBADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891527841 584584357 /nfs/dbraw/zinc/58/43/57/584584357.db2.gz MBOYVIJIJMYBCN-MELADBBJSA-N 2 2 295.431 -0.232 20 0 CBADLP CN1CC[N@H+](C)[C@@H](CNC(=O)NCCC(C)(C)[NH3+])C1 ZINC000891540796 584584755 /nfs/dbraw/zinc/58/47/55/584584755.db2.gz XQTHAMUPOGBXEG-NSHDSACASA-N 2 2 271.409 -0.341 20 0 CBADLP CN1CC[N@@H+](C)[C@@H](CNC(=O)NCCC(C)(C)[NH3+])C1 ZINC000891540796 584584757 /nfs/dbraw/zinc/58/47/57/584584757.db2.gz XQTHAMUPOGBXEG-NSHDSACASA-N 2 2 271.409 -0.341 20 0 CBADLP CN1CC[NH+](CCNc2cc[nH+]cc2CO)CC1 ZINC000891619647 584588098 /nfs/dbraw/zinc/58/80/98/584588098.db2.gz GVGUWKSDAJNGEL-UHFFFAOYSA-N 2 2 250.346 -0.345 20 0 CBADLP CCNC(=O)C[NH+]1CCN(c2cc[nH+]cc2CO)CC1 ZINC000891702330 584590524 /nfs/dbraw/zinc/59/05/24/584590524.db2.gz QWBIDLCDFZFNJC-UHFFFAOYSA-N 2 2 278.356 -0.168 20 0 CBADLP C[C@H]1C[C@@H]([NH3+])CN1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000891858174 584593318 /nfs/dbraw/zinc/59/33/18/584593318.db2.gz LJLGOEKOUURSCA-NWDGAFQWSA-N 2 2 282.388 -0.018 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000892287555 584612527 /nfs/dbraw/zinc/61/25/27/584612527.db2.gz PIDLNAGZLKYUER-OUCADQQQSA-N 2 2 282.388 -0.099 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000892287555 584612530 /nfs/dbraw/zinc/61/25/30/584612530.db2.gz PIDLNAGZLKYUER-OUCADQQQSA-N 2 2 282.388 -0.099 20 0 CBADLP C[N@@H+]1CCN(C(=O)N[C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)[C@H](C[NH3+])C1 ZINC000892427915 584616738 /nfs/dbraw/zinc/61/67/38/584616738.db2.gz SHAKMGJNFRLNOT-GMDXDWKASA-N 2 2 294.399 -0.306 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)N2C[C@@H]3C[NH+](C)C[C@@H]3C2)CCO1 ZINC000892596907 584620383 /nfs/dbraw/zinc/62/03/83/584620383.db2.gz RBAZUCYAAUAQSC-MCIONIFRSA-N 2 2 296.415 -0.090 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)N2C[C@@H]3C[NH+](C)C[C@@H]3C2)CCO1 ZINC000892596907 584620384 /nfs/dbraw/zinc/62/03/84/584620384.db2.gz RBAZUCYAAUAQSC-MCIONIFRSA-N 2 2 296.415 -0.090 20 0 CBADLP C[C@@H]1C[NH+](CCNC(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)CCO1 ZINC000892596907 584620386 /nfs/dbraw/zinc/62/03/86/584620386.db2.gz RBAZUCYAAUAQSC-MCIONIFRSA-N 2 2 296.415 -0.090 20 0 CBADLP C[C@@H]1C[NH+](CCNC(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)CCO1 ZINC000892596907 584620388 /nfs/dbraw/zinc/62/03/88/584620388.db2.gz RBAZUCYAAUAQSC-MCIONIFRSA-N 2 2 296.415 -0.090 20 0 CBADLP COCC[N@H+](C)CCNC(=O)NCc1cn(C)c[nH+]1 ZINC000892688249 584622650 /nfs/dbraw/zinc/62/26/50/584622650.db2.gz UHTHKKHQYILZPH-UHFFFAOYSA-N 2 2 269.349 -0.203 20 0 CBADLP COCC[N@@H+](C)CCNC(=O)NCc1cn(C)c[nH+]1 ZINC000892688249 584622653 /nfs/dbraw/zinc/62/26/53/584622653.db2.gz UHTHKKHQYILZPH-UHFFFAOYSA-N 2 2 269.349 -0.203 20 0 CBADLP COCCOC[C@H](C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000892714468 584623730 /nfs/dbraw/zinc/62/37/30/584623730.db2.gz PAHNOYIEDVGCLW-LBPRGKRZSA-N 2 2 273.377 -0.599 20 0 CBADLP CC(C)(C(N)=O)[NH+]1CCN(c2cc[nH+]cc2CO)CC1 ZINC000892847469 584627832 /nfs/dbraw/zinc/62/78/32/584627832.db2.gz NVFQLRNCTUEANU-UHFFFAOYSA-N 2 2 278.356 -0.040 20 0 CBADLP COC(=O)[C@@H]1CN(c2nc(N)cc(C)[nH+]2)CC[N@H+](C)C1 ZINC000894189448 584653180 /nfs/dbraw/zinc/65/31/80/584653180.db2.gz INFVBEAAORDXAR-JTQLQIEISA-N 2 2 279.344 -0.092 20 0 CBADLP COC(=O)[C@@H]1CN(c2nc(N)cc(C)[nH+]2)CC[N@@H+](C)C1 ZINC000894189448 584653182 /nfs/dbraw/zinc/65/31/82/584653182.db2.gz INFVBEAAORDXAR-JTQLQIEISA-N 2 2 279.344 -0.092 20 0 CBADLP CNc1cc(N2CCN(CC[NH+](C)C)C(=O)C2)nc[nH+]1 ZINC000894382967 584657116 /nfs/dbraw/zinc/65/71/16/584657116.db2.gz SCQXTMQCMHXRBH-UHFFFAOYSA-N 2 2 278.360 -0.272 20 0 CBADLP CNc1cc(N2CCN(CC[NH+](C)C)C(=O)C2)[nH+]cn1 ZINC000894382967 584657118 /nfs/dbraw/zinc/65/71/18/584657118.db2.gz SCQXTMQCMHXRBH-UHFFFAOYSA-N 2 2 278.360 -0.272 20 0 CBADLP O[C@@H]1C[C@H]2CN(c3nccn4c[nH+]cc34)CC[N@@H+]2C1 ZINC000894432546 584658001 /nfs/dbraw/zinc/65/80/01/584658001.db2.gz RIAKNLSVNFQRMN-WDEREUQCSA-N 2 2 259.313 -0.016 20 0 CBADLP O[C@@H]1C[C@H]2CN(c3nccn4c[nH+]cc34)CC[N@H+]2C1 ZINC000894432546 584658003 /nfs/dbraw/zinc/65/80/03/584658003.db2.gz RIAKNLSVNFQRMN-WDEREUQCSA-N 2 2 259.313 -0.016 20 0 CBADLP C[NH+]1C[C@@]2(C)CN(c3nc(N)nc(N)[nH+]3)C[C@]2(C)C1 ZINC000894802630 584664624 /nfs/dbraw/zinc/66/46/24/584664624.db2.gz QYENHUGZECNHGC-RYUDHWBXSA-N 2 2 263.349 -0.186 20 0 CBADLP COC(=O)[C@@H]1[C@H](C[NH2+]CC[N@@H+]2CC[C@@H](O)C2)C1(F)F ZINC000895406277 584678385 /nfs/dbraw/zinc/67/83/85/584678385.db2.gz SMAXSTBKDPDVPI-UTLUCORTSA-N 2 2 278.299 -0.303 20 0 CBADLP COC(=O)[C@@H]1[C@H](C[NH2+]CC[N@H+]2CC[C@@H](O)C2)C1(F)F ZINC000895406277 584678387 /nfs/dbraw/zinc/67/83/87/584678387.db2.gz SMAXSTBKDPDVPI-UTLUCORTSA-N 2 2 278.299 -0.303 20 0 CBADLP C[NH+]1CCC(C[NH+]2CC(NS(C)(=O)=O)C2)CC1 ZINC000895587929 584682026 /nfs/dbraw/zinc/68/20/26/584682026.db2.gz DYCMRQOWWPZWIA-UHFFFAOYSA-N 2 2 261.391 -0.438 20 0 CBADLP O=C(NCc1c[nH+]c[nH]1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000896498424 584700129 /nfs/dbraw/zinc/70/01/29/584700129.db2.gz XIIPOUUEUVXWRE-NSHDSACASA-N 2 2 250.302 -0.253 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC000896532800 584701135 /nfs/dbraw/zinc/70/11/35/584701135.db2.gz VQDMRULRZQOWNP-STQMWFEESA-N 2 2 279.388 -0.058 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC000896532800 584701136 /nfs/dbraw/zinc/70/11/36/584701136.db2.gz VQDMRULRZQOWNP-STQMWFEESA-N 2 2 279.388 -0.058 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896532800 584701137 /nfs/dbraw/zinc/70/11/37/584701137.db2.gz VQDMRULRZQOWNP-STQMWFEESA-N 2 2 279.388 -0.058 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC000896532800 584701138 /nfs/dbraw/zinc/70/11/38/584701138.db2.gz VQDMRULRZQOWNP-STQMWFEESA-N 2 2 279.388 -0.058 20 0 CBADLP Cc1[nH]c(CNC(=O)[C@@H]2C[N@H+](C)CCO2)[nH+]c1C ZINC000896916231 584706603 /nfs/dbraw/zinc/70/66/03/584706603.db2.gz VGGZTKLASABWEW-JTQLQIEISA-N 2 2 252.318 -0.027 20 0 CBADLP Cc1[nH]c(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)[nH+]c1C ZINC000896916231 584706604 /nfs/dbraw/zinc/70/66/04/584706604.db2.gz VGGZTKLASABWEW-JTQLQIEISA-N 2 2 252.318 -0.027 20 0 CBADLP Cc1[nH]c(CNC(=O)[C@H]2C[N@H+](C)CCO2)[nH+]c1C ZINC000896916232 584706629 /nfs/dbraw/zinc/70/66/29/584706629.db2.gz VGGZTKLASABWEW-SNVBAGLBSA-N 2 2 252.318 -0.027 20 0 CBADLP Cc1[nH]c(CNC(=O)[C@H]2C[N@@H+](C)CCO2)[nH+]c1C ZINC000896916232 584706630 /nfs/dbraw/zinc/70/66/30/584706630.db2.gz VGGZTKLASABWEW-SNVBAGLBSA-N 2 2 252.318 -0.027 20 0 CBADLP C[C@H](NC(=O)C1C[NH+]([C@@H]2CCOC2)C1)[C@H]1C[N@H+](C)CCO1 ZINC000897078236 584708594 /nfs/dbraw/zinc/70/85/94/584708594.db2.gz SPIFSJLFJZDVPM-IACUBPJLSA-N 2 2 297.399 -0.458 20 0 CBADLP C[C@H](NC(=O)C1C[NH+]([C@@H]2CCOC2)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000897078236 584708595 /nfs/dbraw/zinc/70/85/95/584708595.db2.gz SPIFSJLFJZDVPM-IACUBPJLSA-N 2 2 297.399 -0.458 20 0 CBADLP CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000897146451 584709046 /nfs/dbraw/zinc/70/90/46/584709046.db2.gz SWPUELPKVFFIDF-CHWSQXEVSA-N 2 2 280.416 -0.025 20 0 CBADLP CC(C)(C)[N@H+]1CC[C@@H]1C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000897146451 584709047 /nfs/dbraw/zinc/70/90/47/584709047.db2.gz SWPUELPKVFFIDF-CHWSQXEVSA-N 2 2 280.416 -0.025 20 0 CBADLP Cc1nc(N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)nc(N)[nH+]1 ZINC000897218301 584710006 /nfs/dbraw/zinc/71/00/06/584710006.db2.gz CDZGFSXNDGYQSZ-WDEREUQCSA-N 2 2 278.360 -0.202 20 0 CBADLP Cc1nc(N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)nc(N)[nH+]1 ZINC000897218301 584710008 /nfs/dbraw/zinc/71/00/08/584710008.db2.gz CDZGFSXNDGYQSZ-WDEREUQCSA-N 2 2 278.360 -0.202 20 0 CBADLP Cc1nc(N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)nc(N)[nH+]1 ZINC000897218300 584710015 /nfs/dbraw/zinc/71/00/15/584710015.db2.gz CDZGFSXNDGYQSZ-QWRGUYRKSA-N 2 2 278.360 -0.202 20 0 CBADLP Cc1nc(N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)nc(N)[nH+]1 ZINC000897218300 584710017 /nfs/dbraw/zinc/71/00/17/584710017.db2.gz CDZGFSXNDGYQSZ-QWRGUYRKSA-N 2 2 278.360 -0.202 20 0 CBADLP CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)NCCc1cn(C)c[nH+]1 ZINC000898061799 584729949 /nfs/dbraw/zinc/72/99/49/584729949.db2.gz IYFJOICVDUGAEH-LBPRGKRZSA-N 2 2 293.371 -0.711 20 0 CBADLP CC[N@H+]1CC[C@H]1CNC(=O)C(=O)NCCc1cn(C)c[nH+]1 ZINC000898061799 584729951 /nfs/dbraw/zinc/72/99/51/584729951.db2.gz IYFJOICVDUGAEH-LBPRGKRZSA-N 2 2 293.371 -0.711 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCCn1ccc(=O)[nH]c1=O ZINC000898332697 584735223 /nfs/dbraw/zinc/73/52/23/584735223.db2.gz OYCUGWBWVYJAQW-GHMZBOCLSA-N 2 2 266.345 -0.121 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCn1ccc(=O)[nH]c1=O ZINC000898332697 584735224 /nfs/dbraw/zinc/73/52/24/584735224.db2.gz OYCUGWBWVYJAQW-GHMZBOCLSA-N 2 2 266.345 -0.121 20 0 CBADLP CC[NH+](CC)CC(=O)N[C@H](CO)c1c[nH+]cn1C ZINC000898883518 584744295 /nfs/dbraw/zinc/74/42/95/584744295.db2.gz KHIGFEMTXABEPI-SNVBAGLBSA-N 2 2 254.334 -0.089 20 0 CBADLP CCC[N@H+](C)CC(=O)NCC[NH+]1CCC2(C1)OCCO2 ZINC000899057275 584749276 /nfs/dbraw/zinc/74/92/76/584749276.db2.gz ANKMEXDLBCXKMN-UHFFFAOYSA-N 2 2 285.388 -0.107 20 0 CBADLP CCC[N@@H+](C)CC(=O)NCC[NH+]1CCC2(C1)OCCO2 ZINC000899057275 584749278 /nfs/dbraw/zinc/74/92/78/584749278.db2.gz ANKMEXDLBCXKMN-UHFFFAOYSA-N 2 2 285.388 -0.107 20 0 CBADLP CCC[NH+](C)CC(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000899057275 584749281 /nfs/dbraw/zinc/74/92/81/584749281.db2.gz ANKMEXDLBCXKMN-UHFFFAOYSA-N 2 2 285.388 -0.107 20 0 CBADLP CCC[NH+](C)CC(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000899057275 584749282 /nfs/dbraw/zinc/74/92/82/584749282.db2.gz ANKMEXDLBCXKMN-UHFFFAOYSA-N 2 2 285.388 -0.107 20 0 CBADLP O=C(NC[C@H]1CCCO1)N1CC[NH2+]CC[NH2+]CC1 ZINC000899241292 584754172 /nfs/dbraw/zinc/75/41/72/584754172.db2.gz CMOZOMRFCFAIOM-LLVKDONJSA-N 2 2 256.350 -0.630 20 0 CBADLP O=C(NCC[NH+]1CCOCC1)N1CCC[C@@]12CC[NH2+]C2 ZINC000899248886 584754654 /nfs/dbraw/zinc/75/46/54/584754654.db2.gz RVIVEEFLOLIHKU-AWEZNQCLSA-N 2 2 282.388 -0.144 20 0 CBADLP C[N@H+](CCO)CCNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000899737259 584778043 /nfs/dbraw/zinc/77/80/43/584778043.db2.gz FAVBDJCMWVMSMD-UHFFFAOYSA-N 2 2 273.377 -0.863 20 0 CBADLP C[N@@H+](CCO)CCNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000899737259 584778044 /nfs/dbraw/zinc/77/80/44/584778044.db2.gz FAVBDJCMWVMSMD-UHFFFAOYSA-N 2 2 273.377 -0.863 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)CC1 ZINC000899907840 584783803 /nfs/dbraw/zinc/78/38/03/584783803.db2.gz NHDRSMPPIOBOCN-WCQYABFASA-N 2 2 255.362 -0.394 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)CC1 ZINC000899907840 584783805 /nfs/dbraw/zinc/78/38/05/584783805.db2.gz NHDRSMPPIOBOCN-WCQYABFASA-N 2 2 255.362 -0.394 20 0 CBADLP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NCCC[NH+]1CCOCC1 ZINC000899921364 584785214 /nfs/dbraw/zinc/78/52/14/584785214.db2.gz VAALXHDGIYGHDO-TZMCWYRMSA-N 2 2 285.388 -0.720 20 0 CBADLP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NCCC[NH+]1CCOCC1 ZINC000899921364 584785216 /nfs/dbraw/zinc/78/52/16/584785216.db2.gz VAALXHDGIYGHDO-TZMCWYRMSA-N 2 2 285.388 -0.720 20 0 CBADLP C[NH+](C)CCN1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000900009208 584788839 /nfs/dbraw/zinc/78/88/39/584788839.db2.gz GRXGNFNMEVQLFH-UHFFFAOYSA-N 2 2 265.361 -0.342 20 0 CBADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000900171785 584794053 /nfs/dbraw/zinc/79/40/53/584794053.db2.gz PKLNOHHTRJXVRW-UHFFFAOYSA-N 2 2 293.371 -0.377 20 0 CBADLP CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000900171785 584794055 /nfs/dbraw/zinc/79/40/55/584794055.db2.gz PKLNOHHTRJXVRW-UHFFFAOYSA-N 2 2 293.371 -0.377 20 0 CBADLP Cc1[nH+]ccn1CCNC(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC000900448748 584804796 /nfs/dbraw/zinc/80/47/96/584804796.db2.gz NGUPJWBYNDYWJW-DGCLKSJQSA-N 2 2 266.345 -0.237 20 0 CBADLP Cc1[nH+]ccn1CCNC(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000900448748 584804797 /nfs/dbraw/zinc/80/47/97/584804797.db2.gz NGUPJWBYNDYWJW-DGCLKSJQSA-N 2 2 266.345 -0.237 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000900519039 584809675 /nfs/dbraw/zinc/80/96/75/584809675.db2.gz SSGAFWHUYPLYFP-OCCSQVGLSA-N 2 2 285.388 -0.768 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC000900519039 584809676 /nfs/dbraw/zinc/80/96/76/584809676.db2.gz SSGAFWHUYPLYFP-OCCSQVGLSA-N 2 2 285.388 -0.768 20 0 CBADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)C12CC[NH+](CC1)C2 ZINC000900614227 584816386 /nfs/dbraw/zinc/81/63/86/584816386.db2.gz OUMIWRQRAFLURV-ZDUSSCGKSA-N 2 2 280.416 -0.166 20 0 CBADLP COCC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]c[nH]2)C1 ZINC000900622847 584816976 /nfs/dbraw/zinc/81/69/76/584816976.db2.gz GQIHZPLPFCIQLT-JTQLQIEISA-N 2 2 252.318 -0.211 20 0 CBADLP COCC[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]c[nH]2)C1 ZINC000900622847 584816978 /nfs/dbraw/zinc/81/69/78/584816978.db2.gz GQIHZPLPFCIQLT-JTQLQIEISA-N 2 2 252.318 -0.211 20 0 CBADLP COCC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000900622847 584816979 /nfs/dbraw/zinc/81/69/79/584816979.db2.gz GQIHZPLPFCIQLT-JTQLQIEISA-N 2 2 252.318 -0.211 20 0 CBADLP COCC[N@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000900622847 584816981 /nfs/dbraw/zinc/81/69/81/584816981.db2.gz GQIHZPLPFCIQLT-JTQLQIEISA-N 2 2 252.318 -0.211 20 0 CBADLP CN(Cc1[nH]cc[nH+]1)C(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC000900626361 584817242 /nfs/dbraw/zinc/81/72/42/584817242.db2.gz QESDEXLWCKUNMK-CABZTGNLSA-N 2 2 252.318 -0.177 20 0 CBADLP CN(Cc1[nH]cc[nH+]1)C(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC000900626361 584817244 /nfs/dbraw/zinc/81/72/44/584817244.db2.gz QESDEXLWCKUNMK-CABZTGNLSA-N 2 2 252.318 -0.177 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)CC1 ZINC000900684361 584821424 /nfs/dbraw/zinc/82/14/24/584821424.db2.gz NYXXJPMIEMXDFT-GXTWGEPZSA-N 2 2 285.388 -0.768 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)CC1 ZINC000900684361 584821425 /nfs/dbraw/zinc/82/14/25/584821425.db2.gz NYXXJPMIEMXDFT-GXTWGEPZSA-N 2 2 285.388 -0.768 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000901135207 584851387 /nfs/dbraw/zinc/85/13/87/584851387.db2.gz PWSPLPOCWPRZDT-LBPRGKRZSA-N 2 2 266.345 -0.085 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000901135207 584851388 /nfs/dbraw/zinc/85/13/88/584851388.db2.gz PWSPLPOCWPRZDT-LBPRGKRZSA-N 2 2 266.345 -0.085 20 0 CBADLP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000901148579 584852393 /nfs/dbraw/zinc/85/23/93/584852393.db2.gz SQGIDWLCFOBQHU-GPCCPHFNSA-N 2 2 278.356 -0.162 20 0 CBADLP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000901148579 584852395 /nfs/dbraw/zinc/85/23/95/584852395.db2.gz SQGIDWLCFOBQHU-GPCCPHFNSA-N 2 2 278.356 -0.162 20 0 CBADLP CC[C@H](CO)[NH+]1CCN(C(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)CC1 ZINC000901147629 584852420 /nfs/dbraw/zinc/85/24/20/584852420.db2.gz RQPRNPXJXPAREG-UMVBOHGHSA-N 2 2 299.415 -0.643 20 0 CBADLP CC[C@H](CO)[NH+]1CCN(C(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)CC1 ZINC000901147629 584852422 /nfs/dbraw/zinc/85/24/22/584852422.db2.gz RQPRNPXJXPAREG-UMVBOHGHSA-N 2 2 299.415 -0.643 20 0 CBADLP CC[C@H](CO)[NH+]1CCN(C(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)CC1 ZINC000901147626 584852445 /nfs/dbraw/zinc/85/24/45/584852445.db2.gz RQPRNPXJXPAREG-NFAWXSAZSA-N 2 2 299.415 -0.643 20 0 CBADLP CC[C@H](CO)[NH+]1CCN(C(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)CC1 ZINC000901147626 584852447 /nfs/dbraw/zinc/85/24/47/584852447.db2.gz RQPRNPXJXPAREG-NFAWXSAZSA-N 2 2 299.415 -0.643 20 0 CBADLP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000901148581 584852520 /nfs/dbraw/zinc/85/25/20/584852520.db2.gz SQGIDWLCFOBQHU-RBZYPMLTSA-N 2 2 278.356 -0.162 20 0 CBADLP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000901148581 584852521 /nfs/dbraw/zinc/85/25/21/584852521.db2.gz SQGIDWLCFOBQHU-RBZYPMLTSA-N 2 2 278.356 -0.162 20 0 CBADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCCc1nnnn1C ZINC000902463056 584877256 /nfs/dbraw/zinc/87/72/56/584877256.db2.gz ZDKUPTRQLHFMCC-GHMZBOCLSA-N 2 2 268.365 -0.501 20 0 CBADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1cn(C)nn1 ZINC000903064644 584888944 /nfs/dbraw/zinc/88/89/44/584888944.db2.gz PTBUOMDVXTZCCR-JQWIXIFHSA-N 2 2 280.376 -0.195 20 0 CBADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1cn(C)nn1 ZINC000903064644 584888945 /nfs/dbraw/zinc/88/89/45/584888945.db2.gz PTBUOMDVXTZCCR-JQWIXIFHSA-N 2 2 280.376 -0.195 20 0 CBADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCO[C@]12CCOC2 ZINC000903205242 584889497 /nfs/dbraw/zinc/88/94/97/584889497.db2.gz GJMKEDJEEBMLHO-GUTXKFCHSA-N 2 2 297.399 -0.136 20 0 CBADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCO[C@]12CCOC2 ZINC000903205242 584889498 /nfs/dbraw/zinc/88/94/98/584889498.db2.gz GJMKEDJEEBMLHO-GUTXKFCHSA-N 2 2 297.399 -0.136 20 0 CBADLP C[N@H+](CC[NH2+][C@@H]1CCO[C@@]12CCOC2)CCOCCO ZINC000903219686 584889561 /nfs/dbraw/zinc/88/95/61/584889561.db2.gz IOMSZUDQDFSWMF-ZIAGYGMSSA-N 2 2 288.388 -0.535 20 0 CBADLP C[N@@H+](CC[NH2+][C@@H]1CCO[C@@]12CCOC2)CCOCCO ZINC000903219686 584889562 /nfs/dbraw/zinc/88/95/62/584889562.db2.gz IOMSZUDQDFSWMF-ZIAGYGMSSA-N 2 2 288.388 -0.535 20 0 CBADLP O=C([C@H]1CCC[N@H+](C[C@H]2CCC[NH2+]2)C1)N1CC[NH2+]CC1 ZINC000903420914 584890140 /nfs/dbraw/zinc/89/01/40/584890140.db2.gz GEBQKYXDCJSUEC-UONOGXRCSA-N 3 2 280.416 -0.118 20 0 CBADLP O=C([C@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]2)C1)N1CC[NH2+]CC1 ZINC000903420914 584890141 /nfs/dbraw/zinc/89/01/41/584890141.db2.gz GEBQKYXDCJSUEC-UONOGXRCSA-N 3 2 280.416 -0.118 20 0 CBADLP CC(=O)NC[C@@H]1C[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)CCO1 ZINC000903437111 584890294 /nfs/dbraw/zinc/89/02/94/584890294.db2.gz DSGDNKSTUSTYGO-KGYLQXTDSA-N 2 2 255.362 -0.321 20 0 CBADLP CC(=O)NC[C@@H]1C[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)CCO1 ZINC000903437111 584890295 /nfs/dbraw/zinc/89/02/95/584890295.db2.gz DSGDNKSTUSTYGO-KGYLQXTDSA-N 2 2 255.362 -0.321 20 0 CBADLP COCC(=O)N1CC[NH+](C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903429250 584890305 /nfs/dbraw/zinc/89/03/05/584890305.db2.gz BAUCQJZADQASJN-NEPJUHHUSA-N 2 2 255.362 -0.368 20 0 CBADLP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCN(c2nccn(C)c2=O)CC1 ZINC000903444045 584890474 /nfs/dbraw/zinc/89/04/74/584890474.db2.gz OGYQDEYPPILPAC-OLZOCXBDSA-N 2 2 291.399 -0.242 20 0 CBADLP CON1CC[C@H]([N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1=O ZINC000903449597 584890507 /nfs/dbraw/zinc/89/05/07/584890507.db2.gz VLLNZHPMGGRCGE-NEPJUHHUSA-N 2 2 296.371 -0.955 20 0 CBADLP CON1CC[C@H]([N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1=O ZINC000903449597 584890508 /nfs/dbraw/zinc/89/05/08/584890508.db2.gz VLLNZHPMGGRCGE-NEPJUHHUSA-N 2 2 296.371 -0.955 20 0 CBADLP CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903464760 584890934 /nfs/dbraw/zinc/89/09/34/584890934.db2.gz BCCFUGPXMHIZNA-DTWKUNHWSA-N 2 2 254.334 -0.295 20 0 CBADLP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903464762 584890999 /nfs/dbraw/zinc/89/09/99/584890999.db2.gz BCCFUGPXMHIZNA-RKDXNWHRSA-N 2 2 254.334 -0.295 20 0 CBADLP COC[C@H](C)NC(=O)NC(=O)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903466562 584891034 /nfs/dbraw/zinc/89/10/34/584891034.db2.gz VXZRWTDUNGIWBH-WDEREUQCSA-N 2 2 298.387 -0.279 20 0 CBADLP CC1(C)C[N@H+](CCC(=O)N2CCOCC2)C[C@@H]1[NH3+] ZINC000903552534 584892945 /nfs/dbraw/zinc/89/29/45/584892945.db2.gz HDBVRWPHDUVFIV-NSHDSACASA-N 2 2 255.362 -0.096 20 0 CBADLP CC1(C)C[N@@H+](CCC(=O)N2CCOCC2)C[C@@H]1[NH3+] ZINC000903552534 584892946 /nfs/dbraw/zinc/89/29/46/584892946.db2.gz HDBVRWPHDUVFIV-NSHDSACASA-N 2 2 255.362 -0.096 20 0 CBADLP CC1(C)C[N@H+](CCC(=O)N2CC[NH2+]CC2)C[C@H]1[NH3+] ZINC000903557948 584893142 /nfs/dbraw/zinc/89/31/42/584893142.db2.gz IQGANPNLMMQWMC-LLVKDONJSA-N 3 2 254.378 -0.523 20 0 CBADLP CC1(C)C[N@@H+](CCC(=O)N2CC[NH2+]CC2)C[C@H]1[NH3+] ZINC000903557948 584893143 /nfs/dbraw/zinc/89/31/43/584893143.db2.gz IQGANPNLMMQWMC-LLVKDONJSA-N 3 2 254.378 -0.523 20 0 CBADLP COCC[C@H](C)S(=O)(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000903565976 584893462 /nfs/dbraw/zinc/89/34/62/584893462.db2.gz WHXRYTCBGCDUFZ-NSHDSACASA-N 2 2 293.433 -0.246 20 0 CBADLP C[N@H+](C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)[C@@H]1CCS(=O)(=O)C1 ZINC000903716626 584895714 /nfs/dbraw/zinc/89/57/14/584895714.db2.gz AIWJUXZPMNIHDQ-AGIUHOORSA-N 2 2 288.413 -0.126 20 0 CBADLP C[N@@H+](C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)[C@@H]1CCS(=O)(=O)C1 ZINC000903716626 584895715 /nfs/dbraw/zinc/89/57/15/584895715.db2.gz AIWJUXZPMNIHDQ-AGIUHOORSA-N 2 2 288.413 -0.126 20 0 CBADLP CC(=O)NC[C@@H]1C[N@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CCO1 ZINC000903729210 584896282 /nfs/dbraw/zinc/89/62/82/584896282.db2.gz KUJCFOWMLHOABC-RBSFLKMASA-N 2 2 297.399 -0.408 20 0 CBADLP CC(=O)NC[C@@H]1C[N@@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CCO1 ZINC000903729210 584896283 /nfs/dbraw/zinc/89/62/83/584896283.db2.gz KUJCFOWMLHOABC-RBSFLKMASA-N 2 2 297.399 -0.408 20 0 CBADLP [NH3+]C[C@@H]1C[N@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CCO1 ZINC000903743892 584896843 /nfs/dbraw/zinc/89/68/43/584896843.db2.gz OUQBXAOGANRQHF-UPJWGTAASA-N 3 2 255.362 -0.586 20 0 CBADLP [NH3+]C[C@@H]1C[N@@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CCO1 ZINC000903743892 584896844 /nfs/dbraw/zinc/89/68/44/584896844.db2.gz OUQBXAOGANRQHF-UPJWGTAASA-N 3 2 255.362 -0.586 20 0 CBADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CCN1CCCS1(=O)=O ZINC000903751950 584897340 /nfs/dbraw/zinc/89/73/40/584897340.db2.gz JRVONIPTCATXEC-GRYCIOLGSA-N 2 2 275.418 -0.002 20 0 CBADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CCN1CCCS1(=O)=O ZINC000903751951 584897434 /nfs/dbraw/zinc/89/74/34/584897434.db2.gz JRVONIPTCATXEC-IJLUTSLNSA-N 2 2 275.418 -0.002 20 0 CBADLP O=C1NC[C@H]2C[N@H+](C[C@@H]3CCCC[NH2+]C3)CCN2C1=O ZINC000903756128 584897635 /nfs/dbraw/zinc/89/76/35/584897635.db2.gz OZQXIESHSWHGBY-NEPJUHHUSA-N 2 2 280.372 -0.981 20 0 CBADLP O=C1NC[C@H]2C[N@@H+](C[C@@H]3CCCC[NH2+]C3)CCN2C1=O ZINC000903756128 584897636 /nfs/dbraw/zinc/89/76/36/584897636.db2.gz OZQXIESHSWHGBY-NEPJUHHUSA-N 2 2 280.372 -0.981 20 0 CBADLP CNC(=O)[C@@H]1C[N@H+](C[C@@H]2CCCC[NH2+]C2)CCO1 ZINC000903757156 584897705 /nfs/dbraw/zinc/89/77/05/584897705.db2.gz YSELGEVPRIABOD-NEPJUHHUSA-N 2 2 255.362 -0.177 20 0 CBADLP CNC(=O)[C@@H]1C[N@@H+](C[C@@H]2CCCC[NH2+]C2)CCO1 ZINC000903757156 584897706 /nfs/dbraw/zinc/89/77/06/584897706.db2.gz YSELGEVPRIABOD-NEPJUHHUSA-N 2 2 255.362 -0.177 20 0 CBADLP C[C@H]1C[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CC(=O)N1 ZINC000903769187 584898346 /nfs/dbraw/zinc/89/83/46/584898346.db2.gz ZIMKQEJNBKLQKG-NWDGAFQWSA-N 2 2 267.373 -0.035 20 0 CBADLP C[C@H]1C[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CC(=O)N1 ZINC000903769187 584898347 /nfs/dbraw/zinc/89/83/47/584898347.db2.gz ZIMKQEJNBKLQKG-NWDGAFQWSA-N 2 2 267.373 -0.035 20 0 CBADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000903777265 584899288 /nfs/dbraw/zinc/89/92/88/584899288.db2.gz VJOUGMFKOQEEOE-VIFPVBQESA-N 2 2 279.344 -0.436 20 0 CBADLP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000903788413 584899685 /nfs/dbraw/zinc/89/96/85/584899685.db2.gz KJTVSNKVKQIGSC-MJBXVCDLSA-N 3 2 253.390 -0.016 20 0 CBADLP O[C@@H](C[NH+]1CCCC1)C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000903788413 584899687 /nfs/dbraw/zinc/89/96/87/584899687.db2.gz KJTVSNKVKQIGSC-MJBXVCDLSA-N 3 2 253.390 -0.016 20 0 CBADLP O=S1(=O)NC[C@H]2C[N@H+](C[C@@H]3CCCC[NH2+]C3)CCN21 ZINC000903788996 584899937 /nfs/dbraw/zinc/89/99/37/584899937.db2.gz SRZZUMUXZNREBU-NEPJUHHUSA-N 2 2 288.417 -0.790 20 0 CBADLP O=S1(=O)NC[C@H]2C[N@@H+](C[C@@H]3CCCC[NH2+]C3)CCN21 ZINC000903788996 584899939 /nfs/dbraw/zinc/89/99/39/584899939.db2.gz SRZZUMUXZNREBU-NEPJUHHUSA-N 2 2 288.417 -0.790 20 0 CBADLP C[NH2+]CCN(C(=O)C(=O)N1CC[NH+](C2CC2)CC1)C(C)C ZINC000903809110 584900490 /nfs/dbraw/zinc/90/04/90/584900490.db2.gz OPPLZWVRABPXDI-UHFFFAOYSA-N 2 2 296.415 -0.251 20 0 CBADLP O=C1NCCN1CC1CC[NH+](C[C@@H]2C[NH2+]CCO2)CC1 ZINC000903824182 584900838 /nfs/dbraw/zinc/90/08/38/584900838.db2.gz MRKFMWIKUMBNOF-ZDUSSCGKSA-N 2 2 282.388 -0.288 20 0 CBADLP CC(=O)N1CCN(C(=O)C[N@@H+]2CC[C@@H]3CC[C@@]32C[NH3+])CC1 ZINC000903852452 584902076 /nfs/dbraw/zinc/90/20/76/584902076.db2.gz BBXVJIZXUFWWIC-DZGCQCFKSA-N 2 2 294.399 -0.510 20 0 CBADLP CC(=O)N1CCN(C(=O)C[N@H+]2CC[C@@H]3CC[C@@]32C[NH3+])CC1 ZINC000903852452 584902077 /nfs/dbraw/zinc/90/20/77/584902077.db2.gz BBXVJIZXUFWWIC-DZGCQCFKSA-N 2 2 294.399 -0.510 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@H]3CC[C@]32C[NH3+])CC1 ZINC000903856588 584902389 /nfs/dbraw/zinc/90/23/89/584902389.db2.gz AFLWDPSBWHSTRQ-HIFRSBDPSA-N 3 2 280.416 -0.036 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@H]3CC[C@]32C[NH3+])CC1 ZINC000903856588 584902391 /nfs/dbraw/zinc/90/23/91/584902391.db2.gz AFLWDPSBWHSTRQ-HIFRSBDPSA-N 3 2 280.416 -0.036 20 0 CBADLP [NH3+]C[C@]12CC[C@H]1CC[N@@H+]2CCN1C(=O)CNC1=O ZINC000903856875 584902438 /nfs/dbraw/zinc/90/24/38/584902438.db2.gz SETHXGSHPYAXIW-JOYOIKCWSA-N 2 2 252.318 -0.649 20 0 CBADLP [NH3+]C[C@]12CC[C@H]1CC[N@H+]2CCN1C(=O)CNC1=O ZINC000903856875 584902440 /nfs/dbraw/zinc/90/24/40/584902440.db2.gz SETHXGSHPYAXIW-JOYOIKCWSA-N 2 2 252.318 -0.649 20 0 CBADLP CNC(=O)NC(=O)CC[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903867149 584902834 /nfs/dbraw/zinc/90/28/34/584902834.db2.gz ZLHVBETUIYZHNH-GFCCVEGCSA-N 2 2 254.334 -0.340 20 0 CBADLP CNC(=O)NC(=O)CC[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903867149 584902836 /nfs/dbraw/zinc/90/28/36/584902836.db2.gz ZLHVBETUIYZHNH-GFCCVEGCSA-N 2 2 254.334 -0.340 20 0 CBADLP CCOC(=O)[C@@H]1C[N@H+](CCC(=O)N2CC[NH2+]CC2)CCO1 ZINC000903874491 584903157 /nfs/dbraw/zinc/90/31/57/584903157.db2.gz BWSDCHBGUYOHLG-LBPRGKRZSA-N 2 2 299.371 -0.928 20 0 CBADLP CCOC(=O)[C@@H]1C[N@@H+](CCC(=O)N2CC[NH2+]CC2)CCO1 ZINC000903874491 584903158 /nfs/dbraw/zinc/90/31/58/584903158.db2.gz BWSDCHBGUYOHLG-LBPRGKRZSA-N 2 2 299.371 -0.928 20 0 CBADLP COCC[N@H+](CCO)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903892617 584904103 /nfs/dbraw/zinc/90/41/03/584904103.db2.gz VLLBQRMHSKMCGU-GFCCVEGCSA-N 2 2 283.376 -0.357 20 0 CBADLP COCC[N@@H+](CCO)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903892617 584904104 /nfs/dbraw/zinc/90/41/04/584904104.db2.gz VLLBQRMHSKMCGU-GFCCVEGCSA-N 2 2 283.376 -0.357 20 0 CBADLP C[N@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)CC(C)(CO)CO ZINC000903894925 584904145 /nfs/dbraw/zinc/90/41/45/584904145.db2.gz IFPXPWVHQXVYOO-LBPRGKRZSA-N 2 2 297.403 -0.375 20 0 CBADLP C[N@@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)CC(C)(CO)CO ZINC000903894925 584904146 /nfs/dbraw/zinc/90/41/46/584904146.db2.gz IFPXPWVHQXVYOO-LBPRGKRZSA-N 2 2 297.403 -0.375 20 0 CBADLP CC[N@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)[C@H]1CCNC1=O ZINC000903915907 584904564 /nfs/dbraw/zinc/90/45/64/584904564.db2.gz DSVZJDYGMCTEOR-YPMHNXCESA-N 2 2 292.387 -0.087 20 0 CBADLP CC[N@@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)[C@H]1CCNC1=O ZINC000903915907 584904566 /nfs/dbraw/zinc/90/45/66/584904566.db2.gz DSVZJDYGMCTEOR-YPMHNXCESA-N 2 2 292.387 -0.087 20 0 CBADLP CC1(C)C[N@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C[C@H]1[NH3+] ZINC000903986690 584905424 /nfs/dbraw/zinc/90/54/24/584905424.db2.gz PLTDWWGQWRBYOM-VXGBXAGGSA-N 3 2 268.405 -0.147 20 0 CBADLP CC1(C)C[N@@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C[C@H]1[NH3+] ZINC000903986690 584905425 /nfs/dbraw/zinc/90/54/25/584905425.db2.gz PLTDWWGQWRBYOM-VXGBXAGGSA-N 3 2 268.405 -0.147 20 0 CBADLP C[C@@H]1C[NH2+]C[C@@H]([NH2+]CC[C@@H]2CNCCS2(=O)=O)C1 ZINC000903970552 584905430 /nfs/dbraw/zinc/90/54/30/584905430.db2.gz ZGHQQVIQPXCSEI-SDDRHHMPSA-N 2 2 275.418 -0.649 20 0 CBADLP CCN(C(=O)[C@H]1CC[N@H+](C)C1)C1C[NH+](CCO)C1 ZINC000957386414 614676298 /nfs/dbraw/zinc/67/62/98/614676298.db2.gz YAAVHEYDRFYWFT-NSHDSACASA-N 2 2 255.362 -0.537 20 0 CBADLP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)C1C[NH+](CCO)C1 ZINC000957386414 614676301 /nfs/dbraw/zinc/67/63/01/614676301.db2.gz YAAVHEYDRFYWFT-NSHDSACASA-N 2 2 255.362 -0.537 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](CCCO)CC2)C1 ZINC000957724531 615169410 /nfs/dbraw/zinc/16/94/10/615169410.db2.gz VNUZTWXOEYSSCT-CYBMUJFWSA-N 2 2 285.388 -0.766 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](CCCO)CC2)C1 ZINC000957724531 615169411 /nfs/dbraw/zinc/16/94/11/615169411.db2.gz VNUZTWXOEYSSCT-CYBMUJFWSA-N 2 2 285.388 -0.766 20 0 CBADLP CC[C@@H](C(=O)N1CCC[N@@H+]([C@@H](C)C(N)=O)CC1)[NH+](C)C ZINC000981973278 615369788 /nfs/dbraw/zinc/36/97/88/615369788.db2.gz HMLOFNLEZRVBRE-RYUDHWBXSA-N 2 2 284.404 -0.265 20 0 CBADLP CC[C@@H](C(=O)N1CCC[N@H+]([C@@H](C)C(N)=O)CC1)[NH+](C)C ZINC000981973278 615369791 /nfs/dbraw/zinc/36/97/91/615369791.db2.gz HMLOFNLEZRVBRE-RYUDHWBXSA-N 2 2 284.404 -0.265 20 0 CBADLP CC[C@@H](C(=O)N1CCC[N@@H+]([C@H](C)C(=O)NC)CC1)[NH+](C)C ZINC000981975921 615369971 /nfs/dbraw/zinc/36/99/71/615369971.db2.gz DMRFTLICJCFKKK-OLZOCXBDSA-N 2 2 298.431 -0.005 20 0 CBADLP CC[C@@H](C(=O)N1CCC[N@H+]([C@H](C)C(=O)NC)CC1)[NH+](C)C ZINC000981975921 615369974 /nfs/dbraw/zinc/36/99/74/615369974.db2.gz DMRFTLICJCFKKK-OLZOCXBDSA-N 2 2 298.431 -0.005 20 0 CBADLP CC[C@@H]([NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1)C(N)=O ZINC000970341309 615537792 /nfs/dbraw/zinc/53/77/92/615537792.db2.gz NOBAHEFQEOFMLH-NXEZZACHSA-N 2 2 279.344 -0.593 20 0 CBADLP CC[C@H]([NH2+][C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1)C(N)=O ZINC000970577051 615822109 /nfs/dbraw/zinc/82/21/09/615822109.db2.gz LBMWYCXIMAWKKK-MNOVXSKESA-N 2 2 293.371 -0.285 20 0 CBADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2[C@H]3C[N@H+](CCO)C[C@H]32)no1 ZINC000960698436 615953286 /nfs/dbraw/zinc/95/32/86/615953286.db2.gz LYMBSAVMHAWYEO-PJXYFTJBSA-N 2 2 294.355 -0.612 20 0 CBADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCO)C[C@H]32)no1 ZINC000960698436 615953289 /nfs/dbraw/zinc/95/32/89/615953289.db2.gz LYMBSAVMHAWYEO-PJXYFTJBSA-N 2 2 294.355 -0.612 20 0 CBADLP C[NH+](C)[C@@H](C(=O)N1CC[C@@H]([NH2+]CCO)C1)c1cccnc1 ZINC000970803488 615972202 /nfs/dbraw/zinc/97/22/02/615972202.db2.gz JTJIIZDEZWNPDP-ZIAGYGMSSA-N 2 2 292.383 -0.133 20 0 CBADLP C[NH+](C)[C@H](C(=O)N1CC[C@@H]([NH2+]CCO)C1)c1cccnc1 ZINC000970803487 615987749 /nfs/dbraw/zinc/98/77/49/615987749.db2.gz JTJIIZDEZWNPDP-KGLIPLIRSA-N 2 2 292.383 -0.133 20 0 CBADLP C[N@H+](CC(=O)N1CC[NH+](CCCO)CC1)C1CCC1 ZINC000948771147 616044043 /nfs/dbraw/zinc/04/40/43/616044043.db2.gz NAGAWASXLDSBPV-UHFFFAOYSA-N 2 2 269.389 -0.003 20 0 CBADLP C[N@@H+](CC(=O)N1CC[NH+](CCCO)CC1)C1CCC1 ZINC000948771147 616044044 /nfs/dbraw/zinc/04/40/44/616044044.db2.gz NAGAWASXLDSBPV-UHFFFAOYSA-N 2 2 269.389 -0.003 20 0 CBADLP C[N@H+](CC(N)=O)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000972068987 616054798 /nfs/dbraw/zinc/05/47/98/616054798.db2.gz HTRHQGQHJJWMAV-LBPRGKRZSA-N 2 2 296.415 -0.121 20 0 CBADLP C[N@@H+](CC(N)=O)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000972068987 616054799 /nfs/dbraw/zinc/05/47/99/616054799.db2.gz HTRHQGQHJJWMAV-LBPRGKRZSA-N 2 2 296.415 -0.121 20 0 CBADLP C[N@@H+]([C@@H]1CCNC1=O)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000980538339 616116533 /nfs/dbraw/zinc/11/65/33/616116533.db2.gz FIPXXRDNDISLLB-NWDGAFQWSA-N 2 2 291.355 -0.696 20 0 CBADLP C[N@H+]([C@@H]1CCNC1=O)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000980538339 616116534 /nfs/dbraw/zinc/11/65/34/616116534.db2.gz FIPXXRDNDISLLB-NWDGAFQWSA-N 2 2 291.355 -0.696 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[NH+]([C@H]2CCNC2=O)CC1 ZINC000980833301 616191534 /nfs/dbraw/zinc/19/15/34/616191534.db2.gz DSOBWFGWQNLNAP-QWHCGFSZSA-N 2 2 294.399 -0.497 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[NH+]([C@H]2CCNC2=O)CC1 ZINC000980833301 616191535 /nfs/dbraw/zinc/19/15/35/616191535.db2.gz DSOBWFGWQNLNAP-QWHCGFSZSA-N 2 2 294.399 -0.497 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)N1CCC[N@@H+]([C@H]2CCNC2=O)CC1 ZINC000980833301 616191536 /nfs/dbraw/zinc/19/15/36/616191536.db2.gz DSOBWFGWQNLNAP-QWHCGFSZSA-N 2 2 294.399 -0.497 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)N1CCC[N@H+]([C@H]2CCNC2=O)CC1 ZINC000980833301 616191537 /nfs/dbraw/zinc/19/15/37/616191537.db2.gz DSOBWFGWQNLNAP-QWHCGFSZSA-N 2 2 294.399 -0.497 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cnon2)C1 ZINC000967925887 616210101 /nfs/dbraw/zinc/21/01/01/616210101.db2.gz UDYJCUAMHILERN-PWSUYJOCSA-N 2 2 279.344 -0.146 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cnon2)C1 ZINC000967925887 616210102 /nfs/dbraw/zinc/21/01/02/616210102.db2.gz UDYJCUAMHILERN-PWSUYJOCSA-N 2 2 279.344 -0.146 20 0 CBADLP CN1CC[C@@H]([NH2+][C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1=O ZINC000970105718 616281021 /nfs/dbraw/zinc/28/10/21/616281021.db2.gz RNDGNLBZSGQVLL-ZYHUDNBSSA-N 2 2 291.355 -0.627 20 0 CBADLP CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000969969932 616596847 /nfs/dbraw/zinc/59/68/47/616596847.db2.gz QMAJDRGARXDNCL-YPMHNXCESA-N 2 2 296.415 -0.347 20 0 CBADLP CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000969969932 616596849 /nfs/dbraw/zinc/59/68/49/616596849.db2.gz QMAJDRGARXDNCL-YPMHNXCESA-N 2 2 296.415 -0.347 20 0 CBADLP CNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC000981960232 616604420 /nfs/dbraw/zinc/60/44/20/616604420.db2.gz UIWRXQSERSWISI-QWHCGFSZSA-N 2 2 296.415 -0.536 20 0 CBADLP CNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC000981960232 616604422 /nfs/dbraw/zinc/60/44/22/616604422.db2.gz UIWRXQSERSWISI-QWHCGFSZSA-N 2 2 296.415 -0.536 20 0 CBADLP CNC(=O)C[NH+]1CCCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000981960232 616604424 /nfs/dbraw/zinc/60/44/24/616604424.db2.gz UIWRXQSERSWISI-QWHCGFSZSA-N 2 2 296.415 -0.536 20 0 CBADLP CNC(=O)C[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000981960232 616604428 /nfs/dbraw/zinc/60/44/28/616604428.db2.gz UIWRXQSERSWISI-QWHCGFSZSA-N 2 2 296.415 -0.536 20 0 CBADLP COC[C@H](C)[N@@H+]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000980894276 617060394 /nfs/dbraw/zinc/06/03/94/617060394.db2.gz VJRPFTPBWXMDIU-KBPBESRZSA-N 2 2 299.415 -0.114 20 0 CBADLP COC[C@H](C)[N@H+]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000980894276 617060396 /nfs/dbraw/zinc/06/03/96/617060396.db2.gz VJRPFTPBWXMDIU-KBPBESRZSA-N 2 2 299.415 -0.114 20 0 CBADLP COC[C@H](C)[NH+]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000980894276 617060398 /nfs/dbraw/zinc/06/03/98/617060398.db2.gz VJRPFTPBWXMDIU-KBPBESRZSA-N 2 2 299.415 -0.114 20 0 CBADLP COC[C@H](C)[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000980894276 617060399 /nfs/dbraw/zinc/06/03/99/617060399.db2.gz VJRPFTPBWXMDIU-KBPBESRZSA-N 2 2 299.415 -0.114 20 0 CBADLP COC[C@H](C)[NH+]1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000951754479 617064470 /nfs/dbraw/zinc/06/44/70/617064470.db2.gz FXGLMZGREPZGGF-AWEZNQCLSA-N 2 2 299.415 -0.112 20 0 CBADLP CCCCN(C)S(=O)(=O)N1CC[NH2+]CC[NH2+]CC1 ZINC000923690678 658396160 /nfs/dbraw/zinc/39/61/60/658396160.db2.gz OPGYZVRRDJNPFI-UHFFFAOYSA-N 2 2 278.422 -0.542 20 0 CBADLP O=C1N[C@H](C2CC[NH+](C[C@@H]3C[NH2+]CCO3)CC2)CO1 ZINC000923526771 658316148 /nfs/dbraw/zinc/31/61/48/658316148.db2.gz UKZVJJYPVKUCIT-RYUDHWBXSA-N 2 2 269.345 -0.205 20 0 CBADLP COC(=O)c1cn(CC[NH2+][C@@H]2CCC[NH2+][C@H]2C)nn1 ZINC000925665345 658865118 /nfs/dbraw/zinc/86/51/18/658865118.db2.gz DLGLIYJHICGFJY-VHSXEESVSA-N 2 2 267.333 -0.205 20 0 CBADLP CC1(C)[NH2+]CC[C@H]1[NH2+]CC[C@H]1CNCCS1(=O)=O ZINC000925787399 658871794 /nfs/dbraw/zinc/87/17/94/658871794.db2.gz BBIPYRVZTKCSJU-WDEREUQCSA-N 2 2 275.418 -0.507 20 0 CBADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]CC[C@H]1CNCCS1(=O)=O ZINC000925787398 658872140 /nfs/dbraw/zinc/87/21/40/658872140.db2.gz BBIPYRVZTKCSJU-QWRGUYRKSA-N 2 2 275.418 -0.507 20 0 CBADLP O=S1(=O)CCNC[C@@H]1CC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925790005 658872207 /nfs/dbraw/zinc/87/22/07/658872207.db2.gz ZWKNPXQGMXULRI-NWDGAFQWSA-N 2 2 287.429 -0.363 20 0 CBADLP C[C@@H]([NH2+]CC[C@H]1CNCCS1(=O)=O)[C@@H]1CCC[NH2+]1 ZINC000925788928 658872332 /nfs/dbraw/zinc/87/23/32/658872332.db2.gz DKJJHPXEMNLEKL-WOPDTQHZSA-N 2 2 275.418 -0.507 20 0 CBADLP NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000969137920 658954099 /nfs/dbraw/zinc/95/40/99/658954099.db2.gz GUBOZKXHHPUSCU-GHMZBOCLSA-N 2 2 291.355 -0.879 20 0 CBADLP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@H]1C(=O)NCC1(C)C ZINC000931655304 659503006 /nfs/dbraw/zinc/50/30/06/659503006.db2.gz PUJDDOAOYQRHRJ-QWRGUYRKSA-N 2 2 257.378 -0.198 20 0 CBADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@H]1C(=O)NCC1(C)C ZINC000931655304 659503014 /nfs/dbraw/zinc/50/30/14/659503014.db2.gz PUJDDOAOYQRHRJ-QWRGUYRKSA-N 2 2 257.378 -0.198 20 0 CBADLP C[C@H](O)[C@@H](O)C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000931065652 659380050 /nfs/dbraw/zinc/38/00/50/659380050.db2.gz CXCSYOSIKHVROB-UHTWSYAYSA-N 2 2 258.362 -0.741 20 0 CBADLP C[C@H](O)[C@@H](O)C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000931065652 659380057 /nfs/dbraw/zinc/38/00/57/659380057.db2.gz CXCSYOSIKHVROB-UHTWSYAYSA-N 2 2 258.362 -0.741 20 0 CBADLP C[C@H](O)[C@H](O)C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000931065630 659381011 /nfs/dbraw/zinc/38/10/11/659381011.db2.gz CXCSYOSIKHVROB-CYZMBNFOSA-N 2 2 258.362 -0.741 20 0 CBADLP C[C@H](O)[C@H](O)C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000931065630 659381018 /nfs/dbraw/zinc/38/10/18/659381018.db2.gz CXCSYOSIKHVROB-CYZMBNFOSA-N 2 2 258.362 -0.741 20 0 CBADLP C[C@@H](NC(=O)C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1)C(=O)N(C)C ZINC000931433328 659465323 /nfs/dbraw/zinc/46/53/23/659465323.db2.gz XYXQQUJLUOTBJZ-FRRDWIJNSA-N 2 2 296.415 -0.537 20 0 CBADLP C[C@@H](NC(=O)C[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1)C(=O)N(C)C ZINC000931433328 659465334 /nfs/dbraw/zinc/46/53/34/659465334.db2.gz XYXQQUJLUOTBJZ-FRRDWIJNSA-N 2 2 296.415 -0.537 20 0 CBADLP C[C@@H](NC(=O)C[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1)C(=O)N(C)C ZINC000931433328 659465362 /nfs/dbraw/zinc/46/53/62/659465362.db2.gz XYXQQUJLUOTBJZ-FRRDWIJNSA-N 2 2 296.415 -0.537 20 0 CBADLP C[C@@H](NC(=O)C[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1)C(=O)N(C)C ZINC000931433328 659465386 /nfs/dbraw/zinc/46/53/86/659465386.db2.gz XYXQQUJLUOTBJZ-FRRDWIJNSA-N 2 2 296.415 -0.537 20 0 CBADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000935018044 659815806 /nfs/dbraw/zinc/81/58/06/659815806.db2.gz VKYNBYVQMBTLPG-ZIAGYGMSSA-N 2 2 280.416 -0.025 20 0 CBADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000935018044 659815809 /nfs/dbraw/zinc/81/58/09/659815809.db2.gz VKYNBYVQMBTLPG-ZIAGYGMSSA-N 2 2 280.416 -0.025 20 0 CBADLP CC(=O)N1CC[NH+](CCNc2cc(C)[nH+]c(N)n2)CC1 ZINC000052129286 656023629 /nfs/dbraw/zinc/02/36/29/656023629.db2.gz RWNUEQYLXVAXJH-UHFFFAOYSA-N 2 2 278.360 -0.057 20 0 CBADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)N2CCO[C@H](C)C2)C1 ZINC000071146526 656041129 /nfs/dbraw/zinc/04/11/29/656041129.db2.gz PGVSLVOQYLBFMK-VXGBXAGGSA-N 2 2 255.362 -0.225 20 0 CBADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)N2CCO[C@H](C)C2)C1 ZINC000071146526 656041133 /nfs/dbraw/zinc/04/11/33/656041133.db2.gz PGVSLVOQYLBFMK-VXGBXAGGSA-N 2 2 255.362 -0.225 20 0 CBADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)N2CCO[C@@H](C)C2)C1 ZINC000071146529 656041536 /nfs/dbraw/zinc/04/15/36/656041536.db2.gz PGVSLVOQYLBFMK-NWDGAFQWSA-N 2 2 255.362 -0.225 20 0 CBADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)N2CCO[C@@H](C)C2)C1 ZINC000071146529 656041539 /nfs/dbraw/zinc/04/15/39/656041539.db2.gz PGVSLVOQYLBFMK-NWDGAFQWSA-N 2 2 255.362 -0.225 20 0 CBADLP CC[NH+]1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000074693885 656043377 /nfs/dbraw/zinc/04/33/77/656043377.db2.gz KNVJPKBLTSUBBX-UHFFFAOYSA-N 2 2 255.362 -0.127 20 0 CBADLP C[C@@H](CNC(=O)C[C@@H]1CCC[NH2+]1)[NH+]1CCN(C)CC1 ZINC000178880785 656088841 /nfs/dbraw/zinc/08/88/41/656088841.db2.gz MAWHPOMWZCIXQT-STQMWFEESA-N 2 2 268.405 -0.119 20 0 CBADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1ccc(OCC(N)=O)cc1 ZINC000228725376 656110009 /nfs/dbraw/zinc/11/00/09/656110009.db2.gz FYAHQOJJLOXZJF-OAHLLOKOSA-N 2 2 295.383 -0.047 20 0 CBADLP CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000229087224 656111250 /nfs/dbraw/zinc/11/12/50/656111250.db2.gz OLWRIQDSMOACLV-ZJUUUORDSA-N 2 2 256.350 -0.251 20 0 CBADLP CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000229087224 656111253 /nfs/dbraw/zinc/11/12/53/656111253.db2.gz OLWRIQDSMOACLV-ZJUUUORDSA-N 2 2 256.350 -0.251 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCOC[C@@H](C)C1 ZINC000311120970 656144903 /nfs/dbraw/zinc/14/49/03/656144903.db2.gz OQIBBYBSFDFQJC-QWHCGFSZSA-N 2 2 260.378 -0.106 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCOC[C@@H](C)C1 ZINC000311120970 656144905 /nfs/dbraw/zinc/14/49/05/656144905.db2.gz OQIBBYBSFDFQJC-QWHCGFSZSA-N 2 2 260.378 -0.106 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCOC[C@@H](C)C1 ZINC000311120970 656144908 /nfs/dbraw/zinc/14/49/08/656144908.db2.gz OQIBBYBSFDFQJC-QWHCGFSZSA-N 2 2 260.378 -0.106 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCOC[C@@H](C)C1 ZINC000311120970 656144909 /nfs/dbraw/zinc/14/49/09/656144909.db2.gz OQIBBYBSFDFQJC-QWHCGFSZSA-N 2 2 260.378 -0.106 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000313080215 656147669 /nfs/dbraw/zinc/14/76/69/656147669.db2.gz LGGDWXKNUBOUCX-XQLPTFJDSA-N 3 2 285.432 -0.015 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000313080215 656147671 /nfs/dbraw/zinc/14/76/71/656147671.db2.gz LGGDWXKNUBOUCX-XQLPTFJDSA-N 3 2 285.432 -0.015 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000313080215 656147673 /nfs/dbraw/zinc/14/76/73/656147673.db2.gz LGGDWXKNUBOUCX-XQLPTFJDSA-N 3 2 285.432 -0.015 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000313080215 656147675 /nfs/dbraw/zinc/14/76/75/656147675.db2.gz LGGDWXKNUBOUCX-XQLPTFJDSA-N 3 2 285.432 -0.015 20 0 CBADLP C[C@H]1OCC[NH2+][C@H]1C(=O)NCCC[NH+]1CCOCC1 ZINC000328355981 656148784 /nfs/dbraw/zinc/14/87/84/656148784.db2.gz OEOGVKDZIAHHOG-VXGBXAGGSA-N 2 2 271.361 -0.798 20 0 CBADLP CNC(=O)NC1CC[NH+](C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000702144763 656180126 /nfs/dbraw/zinc/18/01/26/656180126.db2.gz NIHWPEYDTSQOBQ-ZDUSSCGKSA-N 2 2 284.404 -0.164 20 0 CBADLP C[N@H+](C[C@@H](O)C[NH+]1CCCC1)CC(C)(CO)CO ZINC000704748145 656185355 /nfs/dbraw/zinc/18/53/55/656185355.db2.gz IFTSRUKXMSJUPD-GFCCVEGCSA-N 2 2 260.378 -0.634 20 0 CBADLP C[N@@H+](C[C@@H](O)C[NH+]1CCCC1)CC(C)(CO)CO ZINC000704748145 656185356 /nfs/dbraw/zinc/18/53/56/656185356.db2.gz IFTSRUKXMSJUPD-GFCCVEGCSA-N 2 2 260.378 -0.634 20 0 CBADLP C[NH+](C)CC1(O)CC[NH+](C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000710571780 656198570 /nfs/dbraw/zinc/19/85/70/656198570.db2.gz WFFORQQALXXAPF-AWEZNQCLSA-N 3 2 285.432 -0.168 20 0 CBADLP C[C@H](C(=O)N[C@]12CCC[C@@H]1[NH2+]CC2)N1CC[NH2+]CC1=O ZINC000877386047 656246914 /nfs/dbraw/zinc/24/69/14/656246914.db2.gz PBDXLXAUAYEOMM-SUNKGSAMSA-N 2 2 280.372 -0.793 20 0 CBADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)COC1CC[NH2+]CC1 ZINC000877432224 656247596 /nfs/dbraw/zinc/24/75/96/656247596.db2.gz BLYIXWKFKFIKMS-CYBMUJFWSA-N 2 2 299.415 -0.018 20 0 CBADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)COC1CC[NH2+]CC1 ZINC000877432224 656247598 /nfs/dbraw/zinc/24/75/98/656247598.db2.gz BLYIXWKFKFIKMS-CYBMUJFWSA-N 2 2 299.415 -0.018 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000884638682 656253695 /nfs/dbraw/zinc/25/36/95/656253695.db2.gz FWZFVUXQKJLPRK-NEPJUHHUSA-N 2 2 293.371 -0.272 20 0 CBADLP Cc1cc(N)nc(N(C)C[C@H](O)C[NH+]2CCOCC2)[nH+]1 ZINC000892856162 656273534 /nfs/dbraw/zinc/27/35/34/656273534.db2.gz FPWYAQOZWGSNKI-NSHDSACASA-N 2 2 281.360 -0.503 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000895739822 656283849 /nfs/dbraw/zinc/28/38/49/656283849.db2.gz IIKXCBMYWRYBDN-OCCSQVGLSA-N 2 2 297.399 -0.456 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC000900813476 656312483 /nfs/dbraw/zinc/31/24/83/656312483.db2.gz ZLLBAKPEMDAIKD-AAEUAGOBSA-N 2 2 279.388 -0.058 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC000900813476 656312487 /nfs/dbraw/zinc/31/24/87/656312487.db2.gz ZLLBAKPEMDAIKD-AAEUAGOBSA-N 2 2 279.388 -0.058 20 0 CBADLP C[C@@H]1CN(C(=O)[C@]2(C)C[C@@H](O)C[NH+]2C)CC[N@@H+]1C ZINC000900846591 656313489 /nfs/dbraw/zinc/31/34/89/656313489.db2.gz IGIFQSWEZRGSTH-WZRBSPASSA-N 2 2 255.362 -0.396 20 0 CBADLP C[C@@H]1CN(C(=O)[C@]2(C)C[C@@H](O)C[NH+]2C)CC[N@H+]1C ZINC000900846591 656313491 /nfs/dbraw/zinc/31/34/91/656313491.db2.gz IGIFQSWEZRGSTH-WZRBSPASSA-N 2 2 255.362 -0.396 20 0 CBADLP C[C@@H]1CN(C(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)CC[NH+]1C ZINC000900846591 656313493 /nfs/dbraw/zinc/31/34/93/656313493.db2.gz IGIFQSWEZRGSTH-WZRBSPASSA-N 2 2 255.362 -0.396 20 0 CBADLP C[C@@H]1CN(C(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)CC[NH+]1C ZINC000900846591 656313495 /nfs/dbraw/zinc/31/34/95/656313495.db2.gz IGIFQSWEZRGSTH-WZRBSPASSA-N 2 2 255.362 -0.396 20 0 CBADLP c1nnn([C@@H]2CCC[NH2+]C2)c1C[NH2+][C@@H]1CNOC1 ZINC000904423590 656327041 /nfs/dbraw/zinc/32/70/41/656327041.db2.gz CUJUHYVTEIFGSA-NXEZZACHSA-N 2 2 252.322 -0.804 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[C@]32C[NH3+])CC1 ZINC000904998273 656331791 /nfs/dbraw/zinc/33/17/91/656331791.db2.gz CJVULZJAFBOXCC-WFASDCNBSA-N 2 2 294.399 -0.510 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)NC[C@H]2CCCO2)CC1 ZINC000905004294 656332355 /nfs/dbraw/zinc/33/23/55/656332355.db2.gz GHTOOZINWYTRBP-GFCCVEGCSA-N 2 2 270.377 -0.112 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2CCC[C@]23CC[NH2+]C3)CC1 ZINC000905010468 656333341 /nfs/dbraw/zinc/33/33/41/656333341.db2.gz WCSBAEUQFVBHAW-OAHLLOKOSA-N 2 2 294.399 -0.495 20 0 CBADLP O[C@H](C[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)C1(O)CCC1 ZINC000905077321 656337174 /nfs/dbraw/zinc/33/71/74/656337174.db2.gz XCYGHMHPYRQTFW-RWMBFGLXSA-N 2 2 270.373 -0.285 20 0 CBADLP O[C@H](C[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)C1(O)CCC1 ZINC000905077321 656337180 /nfs/dbraw/zinc/33/71/80/656337180.db2.gz XCYGHMHPYRQTFW-RWMBFGLXSA-N 2 2 270.373 -0.285 20 0 CBADLP O[C@H](C[NH2+][C@@H]1CC[N@H+](CC2CC2)C1)C1(O)CCOCC1 ZINC000905100393 656339149 /nfs/dbraw/zinc/33/91/49/656339149.db2.gz DRCHZLFBRVBVLL-ZIAGYGMSSA-N 2 2 284.400 -0.037 20 0 CBADLP O[C@H](C[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)C1(O)CCOCC1 ZINC000905100393 656339154 /nfs/dbraw/zinc/33/91/54/656339154.db2.gz DRCHZLFBRVBVLL-ZIAGYGMSSA-N 2 2 284.400 -0.037 20 0 CBADLP CC[NH2+][C@H](C)CNS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000905342646 656350486 /nfs/dbraw/zinc/35/04/86/656350486.db2.gz DGTOFIYERGOGRD-GFCCVEGCSA-N 2 2 293.433 -0.374 20 0 CBADLP C[C@H](C[C@H](C)[NH3+])NS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000905346516 656351087 /nfs/dbraw/zinc/35/10/87/656351087.db2.gz UUJHNFVKNNSVFF-NWDGAFQWSA-N 2 2 293.433 -0.246 20 0 CBADLP C[C@@H]1C[NH2+]C[C@H]1NS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000905362323 656353544 /nfs/dbraw/zinc/35/35/44/656353544.db2.gz ODSUBIFJWGJXCK-VXGBXAGGSA-N 2 2 291.417 -0.764 20 0 CBADLP C[C@@]1(NS(=O)(=O)CCC[NH+]2CCOCC2)CC[NH2+]C1 ZINC000905360931 656353733 /nfs/dbraw/zinc/35/37/33/656353733.db2.gz DNICDPTUMRFQSE-GFCCVEGCSA-N 2 2 291.417 -0.620 20 0 CBADLP C[NH2+]C[C@H](C)NS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000905362363 656353811 /nfs/dbraw/zinc/35/38/11/656353811.db2.gz RKWSAVSHKOZFFT-NSHDSACASA-N 2 2 279.406 -0.764 20 0 CBADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)C1(O)CCC1 ZINC000905367639 656354561 /nfs/dbraw/zinc/35/45/61/656354561.db2.gz LFZSPHHVUKZCOM-CHWSQXEVSA-N 2 2 272.389 -0.301 20 0 CBADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)C1(O)CCC1 ZINC000905367639 656354563 /nfs/dbraw/zinc/35/45/63/656354563.db2.gz LFZSPHHVUKZCOM-CHWSQXEVSA-N 2 2 272.389 -0.301 20 0 CBADLP CCO[C@@H](C[NH2+]C[C@H](O)C1(O)CCC1)C[NH+](C)C ZINC000905577006 656362801 /nfs/dbraw/zinc/36/28/01/656362801.db2.gz SQTPYLDDYQHNCV-RYUDHWBXSA-N 2 2 260.378 -0.181 20 0 CBADLP C[N@H+](C[C@@H](O)C[NH2+]CCO[C@H]1CCOC1)C1CC1 ZINC000905610332 656363569 /nfs/dbraw/zinc/36/35/69/656363569.db2.gz RTFZYEPVPKTUCF-STQMWFEESA-N 2 2 258.362 -0.163 20 0 CBADLP C[N@@H+](C[C@@H](O)C[NH2+]CCO[C@H]1CCOC1)C1CC1 ZINC000905610332 656363570 /nfs/dbraw/zinc/36/35/70/656363570.db2.gz RTFZYEPVPKTUCF-STQMWFEESA-N 2 2 258.362 -0.163 20 0 CBADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@@H](O)CO ZINC000905710107 656366614 /nfs/dbraw/zinc/36/66/14/656366614.db2.gz SXXTYZZDUCYMFE-UONOGXRCSA-N 2 2 268.357 -0.578 20 0 CBADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@@H](O)CO ZINC000905710107 656366616 /nfs/dbraw/zinc/36/66/16/656366616.db2.gz SXXTYZZDUCYMFE-UONOGXRCSA-N 2 2 268.357 -0.578 20 0 CBADLP CC1(C)CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1[NH2+]CC(N)=O ZINC000996355805 656408487 /nfs/dbraw/zinc/40/84/87/656408487.db2.gz NSNGRFCGAIXZJD-JTQLQIEISA-N 2 2 279.344 -0.736 20 0 CBADLP C[C@@H]([NH2+]C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1)C(N)=O ZINC000997037041 656464569 /nfs/dbraw/zinc/46/45/69/656464569.db2.gz RHKGEOAJTJBORE-SECBINFHSA-N 2 2 279.344 -0.593 20 0 CBADLP C[C@@H](O)C[NH2+]C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000997042575 656464673 /nfs/dbraw/zinc/46/46/73/656464673.db2.gz RATYKKQIJCTGEO-SNVBAGLBSA-N 2 2 266.345 -0.086 20 0 CBADLP Cn1c[nH+]cc1CCNC(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000907309002 656485785 /nfs/dbraw/zinc/48/57/85/656485785.db2.gz YIPOBFBYAGAOSP-WCQYABFASA-N 2 2 266.345 -0.466 20 0 CBADLP Cn1c[nH+]cc1CCNC(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC000907309002 656485788 /nfs/dbraw/zinc/48/57/88/656485788.db2.gz YIPOBFBYAGAOSP-WCQYABFASA-N 2 2 266.345 -0.466 20 0 CBADLP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCC[NH+]1CC=CCC1 ZINC000907887619 656604535 /nfs/dbraw/zinc/60/45/35/656604535.db2.gz PVUQYBVTPMIHPN-OCCSQVGLSA-N 2 2 267.373 -0.180 20 0 CBADLP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCC[NH+]1CC=CCC1 ZINC000907887619 656604539 /nfs/dbraw/zinc/60/45/39/656604539.db2.gz PVUQYBVTPMIHPN-OCCSQVGLSA-N 2 2 267.373 -0.180 20 0 CBADLP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)NCC[N@H+]1CC=CCC1 ZINC000907887619 656604544 /nfs/dbraw/zinc/60/45/44/656604544.db2.gz PVUQYBVTPMIHPN-OCCSQVGLSA-N 2 2 267.373 -0.180 20 0 CBADLP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)NCC[N@@H+]1CC=CCC1 ZINC000907887619 656604549 /nfs/dbraw/zinc/60/45/49/656604549.db2.gz PVUQYBVTPMIHPN-OCCSQVGLSA-N 2 2 267.373 -0.180 20 0 CBADLP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CC[NH+](C)C(C)(C)C1 ZINC000907976477 656616778 /nfs/dbraw/zinc/61/67/78/656616778.db2.gz UFHIIZKMGCYDBP-SMDDNHRTSA-N 2 2 269.389 -0.006 20 0 CBADLP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CC[NH+](C)C(C)(C)C1 ZINC000907976477 656616782 /nfs/dbraw/zinc/61/67/82/656616782.db2.gz UFHIIZKMGCYDBP-SMDDNHRTSA-N 2 2 269.389 -0.006 20 0 CBADLP C[NH+]1C[C@@H](O)C[C@]1(C)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000907976477 656616786 /nfs/dbraw/zinc/61/67/86/656616786.db2.gz UFHIIZKMGCYDBP-SMDDNHRTSA-N 2 2 269.389 -0.006 20 0 CBADLP C[NH+]1C[C@@H](O)C[C@]1(C)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000907976477 656616792 /nfs/dbraw/zinc/61/67/92/656616792.db2.gz UFHIIZKMGCYDBP-SMDDNHRTSA-N 2 2 269.389 -0.006 20 0 CBADLP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CC[NH+](C)C(C)(C)C1 ZINC000907976475 656617167 /nfs/dbraw/zinc/61/71/67/656617167.db2.gz UFHIIZKMGCYDBP-FZMZJTMJSA-N 2 2 269.389 -0.006 20 0 CBADLP C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CC[NH+](C)C(C)(C)C1 ZINC000907976475 656617170 /nfs/dbraw/zinc/61/71/70/656617170.db2.gz UFHIIZKMGCYDBP-FZMZJTMJSA-N 2 2 269.389 -0.006 20 0 CBADLP C[NH+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000907976475 656617174 /nfs/dbraw/zinc/61/71/74/656617174.db2.gz UFHIIZKMGCYDBP-FZMZJTMJSA-N 2 2 269.389 -0.006 20 0 CBADLP C[NH+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000907976475 656617183 /nfs/dbraw/zinc/61/71/83/656617183.db2.gz UFHIIZKMGCYDBP-FZMZJTMJSA-N 2 2 269.389 -0.006 20 0 CBADLP NC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000999411093 656628107 /nfs/dbraw/zinc/62/81/07/656628107.db2.gz JCOBAODUNOTUIS-GMTAPVOTSA-N 2 2 291.355 -0.421 20 0 CBADLP CN(C(=O)Cc1c[nH+]c[nH]1)C1CC([NH2+][C@@H]2CCNC2=O)C1 ZINC000999468533 656630769 /nfs/dbraw/zinc/63/07/69/656630769.db2.gz GFUXDYPJFIUWGH-QEWOUOOISA-N 2 2 291.355 -0.580 20 0 CBADLP CN(C(=O)Cc1[nH]cc[nH+]1)C1CC([NH2+][C@@H]2CCNC2=O)C1 ZINC000999606244 656637250 /nfs/dbraw/zinc/63/72/50/656637250.db2.gz SOMKSLYFNXUKAS-VQXHTEKXSA-N 2 2 291.355 -0.580 20 0 CBADLP CN(C(=O)Cc1[nH]cc[nH+]1)C1CC([NH2+]CCO)C1 ZINC000999612010 656639913 /nfs/dbraw/zinc/63/99/13/656639913.db2.gz YGPPRLQYAPYODI-UHFFFAOYSA-N 2 2 252.318 -0.477 20 0 CBADLP CC[N@H+]1CCN(C(=O)[C@]2(C)C[C@H](O)C[NH+]2C)[C@H](C)C1 ZINC000908136248 656651858 /nfs/dbraw/zinc/65/18/58/656651858.db2.gz BKDVZRCFDJORJH-DYEKYZERSA-N 2 2 269.389 -0.006 20 0 CBADLP CC[N@@H+]1CCN(C(=O)[C@]2(C)C[C@H](O)C[NH+]2C)[C@H](C)C1 ZINC000908136248 656651847 /nfs/dbraw/zinc/65/18/47/656651847.db2.gz BKDVZRCFDJORJH-DYEKYZERSA-N 2 2 269.389 -0.006 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)[C@H](C)C1 ZINC000908136248 656651878 /nfs/dbraw/zinc/65/18/78/656651878.db2.gz BKDVZRCFDJORJH-DYEKYZERSA-N 2 2 269.389 -0.006 20 0 CBADLP NC(=O)C[NH2+][C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000999836607 656656024 /nfs/dbraw/zinc/65/60/24/656656024.db2.gz NDRFNWGOJPAMLH-NSHDSACASA-N 2 2 279.344 -0.661 20 0 CBADLP CC[C@@H]([NH2+]C1CC(N(C)C(=O)Cn2cc[nH+]c2)C1)C(N)=O ZINC000999915159 656668748 /nfs/dbraw/zinc/66/87/48/656668748.db2.gz GZMLCXCLQLBXBX-HTAVTVPLSA-N 2 2 293.371 -0.274 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001000319655 656709907 /nfs/dbraw/zinc/70/99/07/656709907.db2.gz COHJGGAFESKWRD-ZYHUDNBSSA-N 2 2 291.355 -0.579 20 0 CBADLP CC[C@H](C(=O)N1CC(NC(=O)Cc2c[nH]c[nH+]2)C1)[NH+](C)C ZINC001000562433 656739885 /nfs/dbraw/zinc/73/98/85/656739885.db2.gz PALGHYLEGGSWKC-GFCCVEGCSA-N 2 2 293.371 -0.381 20 0 CBADLP O=C(N[C@H]1Cc2c[nH+]cn2C1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000908758919 656758568 /nfs/dbraw/zinc/75/85/68/656758568.db2.gz SUHDYDHARNARBU-RYUDHWBXSA-N 2 2 276.340 -0.355 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@]2(C)C[C@H](O)C[NH+]2C)C[C@H](C)[N@H+]1CCO ZINC000909032554 656773716 /nfs/dbraw/zinc/77/37/16/656773716.db2.gz JFRVYYHOUYNLKT-SFDCQRBFSA-N 2 2 299.415 -0.645 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@]2(C)C[C@H](O)C[NH+]2C)C[C@H](C)[N@@H+]1CCO ZINC000909032554 656773726 /nfs/dbraw/zinc/77/37/26/656773726.db2.gz JFRVYYHOUYNLKT-SFDCQRBFSA-N 2 2 299.415 -0.645 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)C[C@H](C)[NH+]1CCO ZINC000909032554 656773732 /nfs/dbraw/zinc/77/37/32/656773732.db2.gz JFRVYYHOUYNLKT-SFDCQRBFSA-N 2 2 299.415 -0.645 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)C[C@H](C)[NH+]1CCO ZINC000909032554 656773741 /nfs/dbraw/zinc/77/37/41/656773741.db2.gz JFRVYYHOUYNLKT-SFDCQRBFSA-N 2 2 299.415 -0.645 20 0 CBADLP C[C@H](O)C[NH2+][C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001001053464 656792003 /nfs/dbraw/zinc/79/20/03/656792003.db2.gz XYEOPQSLIVEULU-NWDGAFQWSA-N 2 2 266.345 -0.156 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CCC[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001001057052 656793267 /nfs/dbraw/zinc/79/32/67/656793267.db2.gz TYDRSVYJYCALTI-RYUDHWBXSA-N 2 2 291.355 -0.648 20 0 CBADLP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CC[NH+](CC)CC1 ZINC000910526447 656867423 /nfs/dbraw/zinc/86/74/23/656867423.db2.gz KRSBBGHAJXIEND-GFCCVEGCSA-N 2 2 282.388 -0.639 20 0 CBADLP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CC[NH+](CC)CC1 ZINC000910526447 656867426 /nfs/dbraw/zinc/86/74/26/656867426.db2.gz KRSBBGHAJXIEND-GFCCVEGCSA-N 2 2 282.388 -0.639 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC1CC[NH+](CCCO)CC1 ZINC001003846130 656875708 /nfs/dbraw/zinc/87/57/08/656875708.db2.gz NTEWYPTZWCRTMF-UHFFFAOYSA-N 2 2 266.345 -0.085 20 0 CBADLP C[C@@H](O)C[NH+]1CCC(NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001003970524 656878911 /nfs/dbraw/zinc/87/89/11/656878911.db2.gz JEYLSMUHCIFSDQ-LLVKDONJSA-N 2 2 280.372 -0.076 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC001004150747 656881082 /nfs/dbraw/zinc/88/10/82/656881082.db2.gz CASSPDLOTSKYOM-UHFFFAOYSA-N 2 2 279.344 -0.743 20 0 CBADLP O=C(NCCn1cc[nH+]c1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000910985930 656923263 /nfs/dbraw/zinc/92/32/63/656923263.db2.gz FSQBPDNHGGHEEE-OUAUKWLOSA-N 2 2 277.328 -0.992 20 0 CBADLP CC1(C)C[NH2+]C[C@H]1NC(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000911247783 656997603 /nfs/dbraw/zinc/99/76/03/656997603.db2.gz RRDCTPLVYBYONA-LLVKDONJSA-N 2 2 293.371 -0.496 20 0 CBADLP Cc1cc(CNC(=O)C(=O)NCC2([NH3+])CC2)cc(C)[nH+]1 ZINC000911313120 657018341 /nfs/dbraw/zinc/01/83/41/657018341.db2.gz CFNILHITLZMIMS-UHFFFAOYSA-N 2 2 276.340 -0.078 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001007943083 657027473 /nfs/dbraw/zinc/02/74/73/657027473.db2.gz HKAGGERWIWXYJR-VXGBXAGGSA-N 2 2 293.371 -0.354 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[N@H+]([C@H](C)C(N)=O)C1 ZINC001007943083 657027477 /nfs/dbraw/zinc/02/74/77/657027477.db2.gz HKAGGERWIWXYJR-VXGBXAGGSA-N 2 2 293.371 -0.354 20 0 CBADLP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCC[NH+](CC(N)=O)C2)CC[N@@H+]1C ZINC001008301553 657038240 /nfs/dbraw/zinc/03/82/40/657038240.db2.gz ZDWGTHCSSWSFJM-RWMBFGLXSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCC[NH+](CC(N)=O)C2)CC[N@H+]1C ZINC001008301553 657038245 /nfs/dbraw/zinc/03/82/45/657038245.db2.gz ZDWGTHCSSWSFJM-RWMBFGLXSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCC[N@H+](CC(N)=O)C2)CC[NH+]1C ZINC001008301553 657038250 /nfs/dbraw/zinc/03/82/50/657038250.db2.gz ZDWGTHCSSWSFJM-RWMBFGLXSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)C2)CC[NH+]1C ZINC001008301553 657038256 /nfs/dbraw/zinc/03/82/56/657038256.db2.gz ZDWGTHCSSWSFJM-RWMBFGLXSA-N 2 2 296.415 -0.217 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000911483750 657054427 /nfs/dbraw/zinc/05/44/27/657054427.db2.gz CLESDHHSGBZXNN-NEPJUHHUSA-N 2 2 282.388 -0.606 20 0 CBADLP CN(CCCn1cc[nH+]c1)C(=O)C(=O)NCC1([NH3+])CC1 ZINC000911503900 657057577 /nfs/dbraw/zinc/05/75/77/657057577.db2.gz DFSKWYHXLUSLET-UHFFFAOYSA-N 2 2 279.344 -0.661 20 0 CBADLP CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001009204584 657068611 /nfs/dbraw/zinc/06/86/11/657068611.db2.gz XSICVIMOTMECFJ-QWHCGFSZSA-N 2 2 296.415 -0.345 20 0 CBADLP CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001009204584 657068617 /nfs/dbraw/zinc/06/86/17/657068617.db2.gz XSICVIMOTMECFJ-QWHCGFSZSA-N 2 2 296.415 -0.345 20 0 CBADLP CNC(=O)C[NH+]1CCC[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001009204584 657068622 /nfs/dbraw/zinc/06/86/22/657068622.db2.gz XSICVIMOTMECFJ-QWHCGFSZSA-N 2 2 296.415 -0.345 20 0 CBADLP CNC(=O)C[NH+]1CCC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001009204584 657068626 /nfs/dbraw/zinc/06/86/26/657068626.db2.gz XSICVIMOTMECFJ-QWHCGFSZSA-N 2 2 296.415 -0.345 20 0 CBADLP NC(=O)C[N@@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001009211125 657069437 /nfs/dbraw/zinc/06/94/37/657069437.db2.gz ANVNQQLFVKKISV-NSHDSACASA-N 2 2 280.372 -0.852 20 0 CBADLP NC(=O)C[N@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001009211125 657069448 /nfs/dbraw/zinc/06/94/48/657069448.db2.gz ANVNQQLFVKKISV-NSHDSACASA-N 2 2 280.372 -0.852 20 0 CBADLP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCC[NH+](CC(N)=O)C2)C1 ZINC001009513500 657077141 /nfs/dbraw/zinc/07/71/41/657077141.db2.gz GRUVTPJOFVHAGX-WDEREUQCSA-N 2 2 268.361 -0.996 20 0 CBADLP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCC[NH+](CC(N)=O)C2)C1 ZINC001009513500 657077146 /nfs/dbraw/zinc/07/71/46/657077146.db2.gz GRUVTPJOFVHAGX-WDEREUQCSA-N 2 2 268.361 -0.996 20 0 CBADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2CCC[N@H+](CC(N)=O)C2)C1 ZINC001009513500 657077154 /nfs/dbraw/zinc/07/71/54/657077154.db2.gz GRUVTPJOFVHAGX-WDEREUQCSA-N 2 2 268.361 -0.996 20 0 CBADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)C2)C1 ZINC001009513500 657077160 /nfs/dbraw/zinc/07/71/60/657077160.db2.gz GRUVTPJOFVHAGX-WDEREUQCSA-N 2 2 268.361 -0.996 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001009524229 657078943 /nfs/dbraw/zinc/07/89/43/657078943.db2.gz NLNODRSOGHKRFD-CMPLNLGQSA-N 2 2 293.371 -0.354 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001009524229 657078946 /nfs/dbraw/zinc/07/89/46/657078946.db2.gz NLNODRSOGHKRFD-CMPLNLGQSA-N 2 2 293.371 -0.354 20 0 CBADLP [NH3+][C@@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000911651723 657095774 /nfs/dbraw/zinc/09/57/74/657095774.db2.gz DTYIFKYJAMMJEM-UPJWGTAASA-N 2 2 283.372 -0.574 20 0 CBADLP O=C(N[C@@H]1CCC[NH2+]C1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000911673071 657101342 /nfs/dbraw/zinc/10/13/42/657101342.db2.gz JRGRICOKNQQUEZ-MCIONIFRSA-N 2 2 297.399 -0.266 20 0 CBADLP C[NH2+]CCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000911748044 657120455 /nfs/dbraw/zinc/12/04/55/657120455.db2.gz IKJSWYNDJGZFLT-NEPJUHHUSA-N 2 2 271.361 -0.798 20 0 CBADLP CC(C)([NH3+])CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000911844862 657144620 /nfs/dbraw/zinc/14/46/20/657144620.db2.gz DUZHRJOMSLDPPQ-NEPJUHHUSA-N 2 2 285.388 -0.280 20 0 CBADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000911875619 657152406 /nfs/dbraw/zinc/15/24/06/657152406.db2.gz RMPRBPYZWYPBSK-QJPTWQEYSA-N 2 2 277.372 -0.375 20 0 CBADLP CN1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)[C@H](C[NH3+])C1 ZINC000911874734 657152881 /nfs/dbraw/zinc/15/28/81/657152881.db2.gz DVSBNANNKJOHSL-WCQYABFASA-N 2 2 277.372 -0.453 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC(=O)NC2CC2)C1 ZINC001010370176 657164288 /nfs/dbraw/zinc/16/42/88/657164288.db2.gz UHTDBZOWFQVQDX-STQMWFEESA-N 2 2 294.399 -0.450 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC(=O)NC2CC2)C1 ZINC001010370176 657164298 /nfs/dbraw/zinc/16/42/98/657164298.db2.gz UHTDBZOWFQVQDX-STQMWFEESA-N 2 2 294.399 -0.450 20 0 CBADLP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001010370176 657164317 /nfs/dbraw/zinc/16/43/17/657164317.db2.gz UHTDBZOWFQVQDX-STQMWFEESA-N 2 2 294.399 -0.450 20 0 CBADLP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001010370176 657164322 /nfs/dbraw/zinc/16/43/22/657164322.db2.gz UHTDBZOWFQVQDX-STQMWFEESA-N 2 2 294.399 -0.450 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CC(=O)NC2CC2)C1 ZINC001010370173 657164763 /nfs/dbraw/zinc/16/47/63/657164763.db2.gz UHTDBZOWFQVQDX-CHWSQXEVSA-N 2 2 294.399 -0.450 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CC(=O)NC2CC2)C1 ZINC001010370173 657164766 /nfs/dbraw/zinc/16/47/66/657164766.db2.gz UHTDBZOWFQVQDX-CHWSQXEVSA-N 2 2 294.399 -0.450 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001010370173 657164768 /nfs/dbraw/zinc/16/47/68/657164768.db2.gz UHTDBZOWFQVQDX-CHWSQXEVSA-N 2 2 294.399 -0.450 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001010370173 657164772 /nfs/dbraw/zinc/16/47/72/657164772.db2.gz UHTDBZOWFQVQDX-CHWSQXEVSA-N 2 2 294.399 -0.450 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@]2(C)C[NH+]3CCC2CC3)C1 ZINC000912379284 657243213 /nfs/dbraw/zinc/24/32/13/657243213.db2.gz NGMFJPSZXQKUAZ-JSGCOSHPSA-N 2 2 267.373 -0.083 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N[C@@]2(C)C[NH+]3CCC2CC3)C1 ZINC000912379284 657243218 /nfs/dbraw/zinc/24/32/18/657243218.db2.gz NGMFJPSZXQKUAZ-JSGCOSHPSA-N 2 2 267.373 -0.083 20 0 CBADLP C[NH+](C)CCn1ccc(C(=O)N2CC[N@H+](C)C[C@@H]2CO)n1 ZINC000912736139 657320108 /nfs/dbraw/zinc/32/01/08/657320108.db2.gz OBMZDTCSQQQQIQ-GFCCVEGCSA-N 2 2 295.387 -0.807 20 0 CBADLP C[NH+](C)CCn1ccc(C(=O)N2CC[N@@H+](C)C[C@@H]2CO)n1 ZINC000912736139 657320119 /nfs/dbraw/zinc/32/01/19/657320119.db2.gz OBMZDTCSQQQQIQ-GFCCVEGCSA-N 2 2 295.387 -0.807 20 0 CBADLP NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001014462408 657361855 /nfs/dbraw/zinc/36/18/55/657361855.db2.gz DCTDOKSPZPSVKY-NEPJUHHUSA-N 2 2 280.372 -0.996 20 0 CBADLP NC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001014462408 657361862 /nfs/dbraw/zinc/36/18/62/657361862.db2.gz DCTDOKSPZPSVKY-NEPJUHHUSA-N 2 2 280.372 -0.996 20 0 CBADLP CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001014964194 657393211 /nfs/dbraw/zinc/39/32/11/657393211.db2.gz QGBUFFTVWVRMNX-QWHCGFSZSA-N 2 2 296.415 -0.251 20 0 CBADLP CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001014964194 657393216 /nfs/dbraw/zinc/39/32/16/657393216.db2.gz QGBUFFTVWVRMNX-QWHCGFSZSA-N 2 2 296.415 -0.251 20 0 CBADLP CN(C)C(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001014964194 657393223 /nfs/dbraw/zinc/39/32/23/657393223.db2.gz QGBUFFTVWVRMNX-QWHCGFSZSA-N 2 2 296.415 -0.251 20 0 CBADLP CN(C)C(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001014964194 657393227 /nfs/dbraw/zinc/39/32/27/657393227.db2.gz QGBUFFTVWVRMNX-QWHCGFSZSA-N 2 2 296.415 -0.251 20 0 CBADLP O=C(N[C@H]1CC[N@@H+](CCO)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC001014989322 657394149 /nfs/dbraw/zinc/39/41/49/657394149.db2.gz GVWHENMCBJELLS-RYUDHWBXSA-N 2 2 278.356 -0.372 20 0 CBADLP O=C(N[C@H]1CC[N@H+](CCO)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC001014989322 657394154 /nfs/dbraw/zinc/39/41/54/657394154.db2.gz GVWHENMCBJELLS-RYUDHWBXSA-N 2 2 278.356 -0.372 20 0 CBADLP Cc1cn(C(C)(C)C(=O)NC[C@@]2(CO)COCC[NH2+]2)c[nH+]1 ZINC000913180133 657396247 /nfs/dbraw/zinc/39/62/47/657396247.db2.gz VGGXARVTTOXDKQ-CQSZACIVSA-N 2 2 296.371 -0.606 20 0 CBADLP C[C@H](O)C[N@@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001015028264 657398162 /nfs/dbraw/zinc/39/81/62/657398162.db2.gz OBNNLCCNKSUHKT-QWRGUYRKSA-N 2 2 296.371 -0.079 20 0 CBADLP C[C@H](O)C[N@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001015028264 657398169 /nfs/dbraw/zinc/39/81/69/657398169.db2.gz OBNNLCCNKSUHKT-QWRGUYRKSA-N 2 2 296.371 -0.079 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001015288809 657427978 /nfs/dbraw/zinc/42/79/78/657427978.db2.gz GLEQCEOMBXEWDN-VXGBXAGGSA-N 2 2 293.371 -0.354 20 0 CBADLP CC[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001015288809 657427986 /nfs/dbraw/zinc/42/79/86/657427986.db2.gz GLEQCEOMBXEWDN-VXGBXAGGSA-N 2 2 293.371 -0.354 20 0 CBADLP C[NH+](C)CCn1ccc(C(=O)N2CC[N@H+](C)[C@@H](CO)C2)n1 ZINC000913541765 657504808 /nfs/dbraw/zinc/50/48/08/657504808.db2.gz UWJNILJGDMPEMC-GFCCVEGCSA-N 2 2 295.387 -0.807 20 0 CBADLP C[NH+](C)CCn1ccc(C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)n1 ZINC000913541765 657504817 /nfs/dbraw/zinc/50/48/17/657504817.db2.gz UWJNILJGDMPEMC-GFCCVEGCSA-N 2 2 295.387 -0.807 20 0 CBADLP C[N@@H+]1CCN(C(=O)[C@H]2CCC[NH+]2C2CC2)C[C@H]1CO ZINC000913543666 657518532 /nfs/dbraw/zinc/51/85/32/657518532.db2.gz NICLJWUTZHARQZ-QWHCGFSZSA-N 2 2 267.373 -0.252 20 0 CBADLP C[N@H+]1CCN(C(=O)[C@H]2CCC[NH+]2C2CC2)C[C@H]1CO ZINC000913543666 657518538 /nfs/dbraw/zinc/51/85/38/657518538.db2.gz NICLJWUTZHARQZ-QWHCGFSZSA-N 2 2 267.373 -0.252 20 0 CBADLP C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CC2)C[C@H]1CO ZINC000913543666 657518545 /nfs/dbraw/zinc/51/85/45/657518545.db2.gz NICLJWUTZHARQZ-QWHCGFSZSA-N 2 2 267.373 -0.252 20 0 CBADLP C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CC2)C[C@H]1CO ZINC000913543666 657518559 /nfs/dbraw/zinc/51/85/59/657518559.db2.gz NICLJWUTZHARQZ-QWHCGFSZSA-N 2 2 267.373 -0.252 20 0 CBADLP C[N@@H+]1CCN(C(=O)CCCC[NH+]2CCOCC2)C[C@@H]1CO ZINC000913544846 657521373 /nfs/dbraw/zinc/52/13/73/657521373.db2.gz NNYGGUJRQJHBSK-CQSZACIVSA-N 2 2 299.415 -0.376 20 0 CBADLP C[N@H+]1CCN(C(=O)CCCC[NH+]2CCOCC2)C[C@@H]1CO ZINC000913544846 657521381 /nfs/dbraw/zinc/52/13/81/657521381.db2.gz NNYGGUJRQJHBSK-CQSZACIVSA-N 2 2 299.415 -0.376 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000913547726 657529237 /nfs/dbraw/zinc/52/92/37/657529237.db2.gz UZUKLYGHAGEXFW-CHWSQXEVSA-N 2 2 285.388 -0.910 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000913547726 657529249 /nfs/dbraw/zinc/52/92/49/657529249.db2.gz UZUKLYGHAGEXFW-CHWSQXEVSA-N 2 2 285.388 -0.910 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001015792752 657549585 /nfs/dbraw/zinc/54/95/85/657549585.db2.gz CXTDNEKDVKNKEN-ZDUSSCGKSA-N 2 2 296.415 -0.345 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001015792752 657549598 /nfs/dbraw/zinc/54/95/98/657549598.db2.gz CXTDNEKDVKNKEN-ZDUSSCGKSA-N 2 2 296.415 -0.345 20 0 CBADLP C[NH+]1CCC(CC(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)CC1 ZINC001015793613 657550765 /nfs/dbraw/zinc/55/07/65/657550765.db2.gz BAJKEALFTQMTEU-GFCCVEGCSA-N 2 2 282.388 -0.606 20 0 CBADLP C[NH+]1CCC(CC(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)CC1 ZINC001015793613 657550769 /nfs/dbraw/zinc/55/07/69/657550769.db2.gz BAJKEALFTQMTEU-GFCCVEGCSA-N 2 2 282.388 -0.606 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](CCCCCO)CC2)C1 ZINC000913692105 657583239 /nfs/dbraw/zinc/58/32/39/657583239.db2.gz XFXJPTGEZDEDMF-CQSZACIVSA-N 2 2 299.415 -0.376 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](CCCCCO)CC2)C1 ZINC000913692105 657583256 /nfs/dbraw/zinc/58/32/56/657583256.db2.gz XFXJPTGEZDEDMF-CQSZACIVSA-N 2 2 299.415 -0.376 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001015901196 657598031 /nfs/dbraw/zinc/59/80/31/657598031.db2.gz ZULUFCDUXHJKLN-OLZOCXBDSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001015901196 657598043 /nfs/dbraw/zinc/59/80/43/657598043.db2.gz ZULUFCDUXHJKLN-OLZOCXBDSA-N 2 2 296.415 -0.217 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001016002384 657627601 /nfs/dbraw/zinc/62/76/01/657627601.db2.gz QVUSNGYOULKVRH-NSHDSACASA-N 2 2 280.372 -0.981 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001016002384 657627604 /nfs/dbraw/zinc/62/76/04/657627604.db2.gz QVUSNGYOULKVRH-NSHDSACASA-N 2 2 280.372 -0.981 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@H+](CCO)C1 ZINC001016113076 657642245 /nfs/dbraw/zinc/64/22/45/657642245.db2.gz HHUSATZMWNGKAF-SNVBAGLBSA-N 2 2 252.318 -0.557 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@@H+](CCO)C1 ZINC001016113076 657642256 /nfs/dbraw/zinc/64/22/56/657642256.db2.gz HHUSATZMWNGKAF-SNVBAGLBSA-N 2 2 252.318 -0.557 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001016251794 657669661 /nfs/dbraw/zinc/66/96/61/657669661.db2.gz OJFRWCATXQNPCH-LLVKDONJSA-N 2 2 268.361 -0.981 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001016251794 657669676 /nfs/dbraw/zinc/66/96/76/657669676.db2.gz OJFRWCATXQNPCH-LLVKDONJSA-N 2 2 268.361 -0.981 20 0 CBADLP C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001016251404 657669709 /nfs/dbraw/zinc/66/97/09/657669709.db2.gz LNCJYFYRVNDEDC-OLZOCXBDSA-N 2 2 296.415 -0.251 20 0 CBADLP C[C@H](C(=O)N(C)C)[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001016251404 657669730 /nfs/dbraw/zinc/66/97/30/657669730.db2.gz LNCJYFYRVNDEDC-OLZOCXBDSA-N 2 2 296.415 -0.251 20 0 CBADLP O=C(C[NH+]1CCCC1)N[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001016250445 657670117 /nfs/dbraw/zinc/67/01/17/657670117.db2.gz CARYZVNMMKXCLZ-NEPJUHHUSA-N 2 2 280.372 -0.839 20 0 CBADLP O=C(C[NH+]1CCCC1)N[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001016250445 657670129 /nfs/dbraw/zinc/67/01/29/657670129.db2.gz CARYZVNMMKXCLZ-NEPJUHHUSA-N 2 2 280.372 -0.839 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001016250140 657670264 /nfs/dbraw/zinc/67/02/64/657670264.db2.gz ANTXHMQFWBTSCD-WDEREUQCSA-N 2 2 268.361 -0.854 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001016250140 657670268 /nfs/dbraw/zinc/67/02/68/657670268.db2.gz ANTXHMQFWBTSCD-WDEREUQCSA-N 2 2 268.361 -0.854 20 0 CBADLP C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001016251407 657670507 /nfs/dbraw/zinc/67/05/07/657670507.db2.gz LNCJYFYRVNDEDC-STQMWFEESA-N 2 2 296.415 -0.251 20 0 CBADLP C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001016251407 657670517 /nfs/dbraw/zinc/67/05/17/657670517.db2.gz LNCJYFYRVNDEDC-STQMWFEESA-N 2 2 296.415 -0.251 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001016260993 657676377 /nfs/dbraw/zinc/67/63/77/657676377.db2.gz TVDQDPZHGPPJGB-PWSUYJOCSA-N 2 2 293.371 -0.483 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001016260993 657676396 /nfs/dbraw/zinc/67/63/96/657676396.db2.gz TVDQDPZHGPPJGB-PWSUYJOCSA-N 2 2 293.371 -0.483 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001016260160 657676450 /nfs/dbraw/zinc/67/64/50/657676450.db2.gz NCAFTAXCOUKCNM-KOLCDFICSA-N 2 2 279.344 -0.744 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001016260160 657676462 /nfs/dbraw/zinc/67/64/62/657676462.db2.gz NCAFTAXCOUKCNM-KOLCDFICSA-N 2 2 279.344 -0.744 20 0 CBADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CC(=O)NC)C1 ZINC001016340712 657693534 /nfs/dbraw/zinc/69/35/34/657693534.db2.gz YYLNPOFHVFLESM-CHWSQXEVSA-N 2 2 296.415 -0.203 20 0 CBADLP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CC(=O)NC)C1 ZINC001016340712 657693539 /nfs/dbraw/zinc/69/35/39/657693539.db2.gz YYLNPOFHVFLESM-CHWSQXEVSA-N 2 2 296.415 -0.203 20 0 CBADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC(=O)NC)C1 ZINC001016340712 657693550 /nfs/dbraw/zinc/69/35/50/657693550.db2.gz YYLNPOFHVFLESM-CHWSQXEVSA-N 2 2 296.415 -0.203 20 0 CBADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001016340712 657693559 /nfs/dbraw/zinc/69/35/59/657693559.db2.gz YYLNPOFHVFLESM-CHWSQXEVSA-N 2 2 296.415 -0.203 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[N@@H+](CCCO)C1 ZINC001016396049 657697339 /nfs/dbraw/zinc/69/73/39/657697339.db2.gz BKLMMMRAZMCORP-NSHDSACASA-N 2 2 252.318 -0.544 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[N@H+](CCCO)C1 ZINC001016396049 657697347 /nfs/dbraw/zinc/69/73/47/657697347.db2.gz BKLMMMRAZMCORP-NSHDSACASA-N 2 2 252.318 -0.544 20 0 CBADLP NC(=O)C[NH+]1CCC2(C[C@H]2NC(=O)Cn2cc[nH+]c2)CC1 ZINC001016995171 657743185 /nfs/dbraw/zinc/74/31/85/657743185.db2.gz RBBCLPDOPXTKCT-LLVKDONJSA-N 2 2 291.355 -0.661 20 0 CBADLP C[NH+](C)CCCNC(=S)NN1CC[NH+](C)CC1 ZINC000916546158 657777654 /nfs/dbraw/zinc/77/76/54/657777654.db2.gz TYLZLSWHINHLCT-UHFFFAOYSA-N 2 2 259.423 -0.435 20 0 CBADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)NC[C@H]1CC[NH+]1C ZINC000917960263 657822016 /nfs/dbraw/zinc/82/20/16/657822016.db2.gz OTMIYMYOBRRELL-VXGBXAGGSA-N 2 2 269.393 -0.765 20 0 CBADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NC[C@H]1CC[NH+]1C ZINC000917960263 657822020 /nfs/dbraw/zinc/82/20/20/657822020.db2.gz OTMIYMYOBRRELL-VXGBXAGGSA-N 2 2 269.393 -0.765 20 0 CBADLP CN1CC[NH+](C)C[C@H]1CNC(=O)NC[C@H]1CC[N@@H+]1C ZINC000917960263 657822023 /nfs/dbraw/zinc/82/20/23/657822023.db2.gz OTMIYMYOBRRELL-VXGBXAGGSA-N 2 2 269.393 -0.765 20 0 CBADLP CN1CC[NH+](C)C[C@H]1CNC(=O)NC[C@H]1CC[N@H+]1C ZINC000917960263 657822031 /nfs/dbraw/zinc/82/20/31/657822031.db2.gz OTMIYMYOBRRELL-VXGBXAGGSA-N 2 2 269.393 -0.765 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)O[C@H]3CNOC3)C2)CC1 ZINC000918913490 657841187 /nfs/dbraw/zinc/84/11/87/657841187.db2.gz MESJDXXWEZLPPF-YPMHNXCESA-N 2 2 298.387 -0.216 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)O[C@H]3CNOC3)C2)CC1 ZINC000918913490 657841191 /nfs/dbraw/zinc/84/11/91/657841191.db2.gz MESJDXXWEZLPPF-YPMHNXCESA-N 2 2 298.387 -0.216 20 0 CBADLP O=C(CCc1[nH]cc[nH+]1)N1CC[C@H]([NH2+]CCO)C1 ZINC001018784198 657845050 /nfs/dbraw/zinc/84/50/50/657845050.db2.gz DXHOFYXNYMOOEA-JTQLQIEISA-N 2 2 252.318 -0.475 20 0 CBADLP C[C@H](O)C[NH2+][C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001018950171 657854583 /nfs/dbraw/zinc/85/45/83/657854583.db2.gz XJEAATFBGAKXSI-JQWIXIFHSA-N 2 2 266.345 -0.086 20 0 CBADLP C[C@H](O)C[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001018950171 657854584 /nfs/dbraw/zinc/85/45/84/657854584.db2.gz XJEAATFBGAKXSI-JQWIXIFHSA-N 2 2 266.345 -0.086 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)N1CC[C@H]([NH2+]CCO)C1 ZINC001018949710 657855203 /nfs/dbraw/zinc/85/52/03/657855203.db2.gz KZWRXDFKZDSZDR-NSHDSACASA-N 2 2 252.318 -0.475 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)N1CC[C@H]([NH2+]CCO)C1 ZINC001018949710 657855205 /nfs/dbraw/zinc/85/52/05/657855205.db2.gz KZWRXDFKZDSZDR-NSHDSACASA-N 2 2 252.318 -0.475 20 0 CBADLP NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001019056115 657860268 /nfs/dbraw/zinc/86/02/68/657860268.db2.gz KXQGPECVCWUTTF-MNOVXSKESA-N 2 2 291.355 -0.879 20 0 CBADLP O=C([C@H]1CCn2cc[nH+]c2C1)N1CC[C@H]([NH2+]CCO)C1 ZINC001019061294 657861179 /nfs/dbraw/zinc/86/11/79/657861179.db2.gz XVLGZAKNDQLBCV-RYUDHWBXSA-N 2 2 278.356 -0.372 20 0 CBADLP O=C(CCn1cc[nH+]c1)N1CC[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001019212900 657870787 /nfs/dbraw/zinc/87/07/87/657870787.db2.gz SQWWLFYKNVWIGV-RYUDHWBXSA-N 2 2 291.355 -0.648 20 0 CBADLP C[C@@H]([NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1)C(N)=O ZINC001019212860 657871182 /nfs/dbraw/zinc/87/11/82/657871182.db2.gz QIUJDSLDGGKQBL-MNOVXSKESA-N 2 2 279.344 -0.663 20 0 CBADLP C[NH+]1CCC(NC(=S)NN2CC[NH+](C)CC2)CC1 ZINC000920306813 657872319 /nfs/dbraw/zinc/87/23/19/657872319.db2.gz OZEMMUOXKPVKPL-UHFFFAOYSA-N 2 2 271.434 -0.293 20 0 CBADLP CC[C@@H]([NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1)C(N)=O ZINC001019435517 657895255 /nfs/dbraw/zinc/89/52/55/657895255.db2.gz HANLUOINHVMPPC-GXSJLCMTSA-N 2 2 279.344 -0.593 20 0 CBADLP O=C(C[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1)N1CCC1 ZINC001019564574 657913061 /nfs/dbraw/zinc/91/30/61/657913061.db2.gz WHQSWUAUPRUUNF-NSHDSACASA-N 2 2 291.355 -0.625 20 0 CBADLP C[C@H](NC(=O)NC[C@H]1CC[N@@H+]1C)[C@H]1C[NH+](C)CCO1 ZINC000921553630 657919080 /nfs/dbraw/zinc/91/90/80/657919080.db2.gz KHWGXBVGOZBSKM-QJPTWQEYSA-N 2 2 270.377 -0.291 20 0 CBADLP C[C@H](NC(=O)NC[C@H]1CC[N@H+]1C)[C@H]1C[NH+](C)CCO1 ZINC000921553630 657919086 /nfs/dbraw/zinc/91/90/86/657919086.db2.gz KHWGXBVGOZBSKM-QJPTWQEYSA-N 2 2 270.377 -0.291 20 0 CBADLP C[C@H](NC(=O)NC[C@H]1CC[NH+]1C)[C@H]1C[N@H+](C)CCO1 ZINC000921553630 657919094 /nfs/dbraw/zinc/91/90/94/657919094.db2.gz KHWGXBVGOZBSKM-QJPTWQEYSA-N 2 2 270.377 -0.291 20 0 CBADLP C[C@H](NC(=O)NC[C@H]1CC[NH+]1C)[C@H]1C[N@@H+](C)CCO1 ZINC000921553630 657919103 /nfs/dbraw/zinc/91/91/03/657919103.db2.gz KHWGXBVGOZBSKM-QJPTWQEYSA-N 2 2 270.377 -0.291 20 0 CBADLP C[C@H](O)C[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001019721825 657933507 /nfs/dbraw/zinc/93/35/07/657933507.db2.gz VXQKNIYMIZAVGL-RYUDHWBXSA-N 2 2 280.372 -0.076 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001019867858 657953156 /nfs/dbraw/zinc/95/31/56/657953156.db2.gz NGRXREQCZILWGV-NWDGAFQWSA-N 2 2 291.355 -0.648 20 0 CBADLP O=C(N[C@H]1C[C@H]([NH2+]CCO)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC001020307860 658036868 /nfs/dbraw/zinc/03/68/68/658036868.db2.gz ULJJUIOJXAADPR-SRVKXCTJSA-N 2 2 278.356 -0.325 20 0 CBADLP CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1)C(N)=O ZINC001020637328 658082435 /nfs/dbraw/zinc/08/24/35/658082435.db2.gz RFVWFJPHRZEWMM-FXPVBKGRSA-N 2 2 279.344 -0.547 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001020635429 658082549 /nfs/dbraw/zinc/08/25/49/658082549.db2.gz WZVXVSQIJDOJHI-QXEWZRGKSA-N 2 2 277.328 -0.923 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001020980297 658124876 /nfs/dbraw/zinc/12/48/76/658124876.db2.gz DHVYIPTYCNQKOJ-OPRDCNLKSA-N 2 2 279.344 -0.629 20 0 CBADLP O[C@@H](COC[C@H]1CCCO1)C[N@@H+]1CCC[NH2+]CC1 ZINC000923278219 658192632 /nfs/dbraw/zinc/19/26/32/658192632.db2.gz RCWWEQAFYGQQCJ-CHWSQXEVSA-N 2 2 258.362 -0.162 20 0 CBADLP O[C@@H](COC[C@H]1CCCO1)C[N@H+]1CCC[NH2+]CC1 ZINC000923278219 658192648 /nfs/dbraw/zinc/19/26/48/658192648.db2.gz RCWWEQAFYGQQCJ-CHWSQXEVSA-N 2 2 258.362 -0.162 20 0 CBADLP Cc1noc([C@@H](C)N2CC[NH+]([C@H]3C[C@H]([NH3+])C[C@@H]3O)CC2)n1 ZINC000923321016 658208140 /nfs/dbraw/zinc/20/81/40/658208140.db2.gz BLIXATSZVCTLOQ-IXOXFDKPSA-N 2 2 295.387 -0.093 20 0 CBADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](CCO[C@H]2CCOC2)C1 ZINC000923333694 658215039 /nfs/dbraw/zinc/21/50/39/658215039.db2.gz RRTLMVKDJGUTQV-KBPBESRZSA-N 2 2 297.399 -0.312 20 0 CBADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](CCO[C@H]2CCOC2)C1 ZINC000923333694 658215062 /nfs/dbraw/zinc/21/50/62/658215062.db2.gz RRTLMVKDJGUTQV-KBPBESRZSA-N 2 2 297.399 -0.312 20 0 CBADLP CCOC[C@H](O)C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000923331723 658218663 /nfs/dbraw/zinc/21/86/63/658218663.db2.gz FQJDQMNVWSMCKM-QWHCGFSZSA-N 2 2 285.388 -0.720 20 0 CBADLP CCOC[C@H](O)C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000923331723 658218690 /nfs/dbraw/zinc/21/86/90/658218690.db2.gz FQJDQMNVWSMCKM-QWHCGFSZSA-N 2 2 285.388 -0.720 20 0 CBADLP Cn1ccnc1CN1CC[NH+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC000923369658 658243391 /nfs/dbraw/zinc/24/33/91/658243391.db2.gz NCVGBZSMYSRQFN-AVGNSLFASA-N 2 2 279.388 -0.612 20 0 CBADLP [NH3+]CC12CC(C1)C[N@@H+]2C[C@@H](O)COC[C@H]1CCCO1 ZINC000923391185 658256659 /nfs/dbraw/zinc/25/66/59/658256659.db2.gz MLXJREYPYZOXOB-CEUNDQEZSA-N 2 2 270.373 -0.034 20 0 CBADLP [NH3+]CC12CC(C1)C[N@H+]2C[C@@H](O)COC[C@H]1CCCO1 ZINC000923391185 658256669 /nfs/dbraw/zinc/25/66/69/658256669.db2.gz MLXJREYPYZOXOB-CEUNDQEZSA-N 2 2 270.373 -0.034 20 0 CBADLP CO[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)[C@](C)(C[NH3+])C1 ZINC000923412621 658262652 /nfs/dbraw/zinc/26/26/52/658262652.db2.gz RUKGNYDRAHJCMC-AGIUHOORSA-N 2 2 268.361 -0.318 20 0 CBADLP CO[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)[C@](C)(C[NH3+])C1 ZINC000923412621 658262678 /nfs/dbraw/zinc/26/26/78/658262678.db2.gz RUKGNYDRAHJCMC-AGIUHOORSA-N 2 2 268.361 -0.318 20 0 CBADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1C[C@@H](O)COC[C@H]1CCCO1 ZINC000923412574 658262776 /nfs/dbraw/zinc/26/27/76/658262776.db2.gz JIARJKBYGMFWIB-YVECIDJPSA-N 2 2 258.362 -0.036 20 0 CBADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1C[C@@H](O)COC[C@H]1CCCO1 ZINC000923412574 658262812 /nfs/dbraw/zinc/26/28/12/658262812.db2.gz JIARJKBYGMFWIB-YVECIDJPSA-N 2 2 258.362 -0.036 20 0 CBADLP CN1CC(=O)N(CC[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C1=O ZINC000923409831 658263351 /nfs/dbraw/zinc/26/33/51/658263351.db2.gz VIAGTQMDKUPEDU-OKILXGFUSA-N 2 2 280.372 -0.188 20 0 CBADLP CN1CC(=O)N(CC[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C1=O ZINC000923409831 658263387 /nfs/dbraw/zinc/26/33/87/658263387.db2.gz VIAGTQMDKUPEDU-OKILXGFUSA-N 2 2 280.372 -0.188 20 0 CBADLP CO[C@@H]1C[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)[C@@](C)(C[NH3+])C1 ZINC000923410702 658267369 /nfs/dbraw/zinc/26/73/69/658267369.db2.gz IHQGWXOUWXFVAB-YNEHKIRRSA-N 3 2 269.389 -0.197 20 0 CBADLP CO[C@@H]1C[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)[C@@](C)(C[NH3+])C1 ZINC000923410702 658267399 /nfs/dbraw/zinc/26/73/99/658267399.db2.gz IHQGWXOUWXFVAB-YNEHKIRRSA-N 3 2 269.389 -0.197 20 0 CBADLP [NH3+][C@H]1CCC[N@H+](C[C@H](O)COC[C@H]2CCCO2)C1 ZINC000923431310 658277969 /nfs/dbraw/zinc/27/79/69/658277969.db2.gz STOWHEYKZFIKJF-RWMBFGLXSA-N 2 2 258.362 -0.034 20 0 CBADLP [NH3+][C@H]1CCC[N@@H+](C[C@H](O)COC[C@H]2CCCO2)C1 ZINC000923431310 658277982 /nfs/dbraw/zinc/27/79/82/658277982.db2.gz STOWHEYKZFIKJF-RWMBFGLXSA-N 2 2 258.362 -0.034 20 0 CBADLP C[C@@H]1[C@H](C)NC[C@H](C)[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000923436952 658278797 /nfs/dbraw/zinc/27/87/97/658278797.db2.gz QWFFSYWYFWKUCC-RWMBFGLXSA-N 2 2 268.405 -0.121 20 0 CBADLP C[C@@H]1[C@H](C)NC[C@H](C)[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000923436952 658278816 /nfs/dbraw/zinc/27/88/16/658278816.db2.gz QWFFSYWYFWKUCC-RWMBFGLXSA-N 2 2 268.405 -0.121 20 0 CBADLP COC[C@@H](C)NC(=O)NC(=O)C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923519119 658313260 /nfs/dbraw/zinc/31/32/60/658313260.db2.gz BFYFIVMIUVCELK-GRYCIOLGSA-N 2 2 298.387 -0.612 20 0 CBADLP COC[C@@H](C)NC(=O)NC(=O)C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923519119 658313266 /nfs/dbraw/zinc/31/32/66/658313266.db2.gz BFYFIVMIUVCELK-GRYCIOLGSA-N 2 2 298.387 -0.612 20 0 CBADLP COC[C@@H]1CC[C@@H]([C@@H]2COCC[N@@H+]2CCOCC[NH3+])O1 ZINC000923553859 658320347 /nfs/dbraw/zinc/32/03/47/658320347.db2.gz KMVBOZRRDBWTMR-IHRRRGAJSA-N 2 2 288.388 -0.144 20 0 CBADLP COC[C@@H]1CC[C@@H]([C@@H]2COCC[N@H+]2CCOCC[NH3+])O1 ZINC000923553859 658320361 /nfs/dbraw/zinc/32/03/61/658320361.db2.gz KMVBOZRRDBWTMR-IHRRRGAJSA-N 2 2 288.388 -0.144 20 0 CBADLP O=S(=O)(NCc1ccn2cc[nH+]c2c1)C1C[NH2+]C1 ZINC000923628595 658363551 /nfs/dbraw/zinc/36/35/51/658363551.db2.gz MHYMVHHMCUWTRM-UHFFFAOYSA-N 2 2 266.326 -0.275 20 0 CBADLP C[C@@H](CN1C(=O)N[C@H](C[NH+](C)C)C1=O)[NH+]1CCOCC1 ZINC000924472243 658604487 /nfs/dbraw/zinc/60/44/87/658604487.db2.gz MDQVMCFVRGKLNR-WDEREUQCSA-N 2 2 284.360 -0.811 20 0 CBADLP C[C@H]([C@H](C)N1C(=O)N[C@H](C[NH+](C)C)C1=O)[NH+]1CCOCC1 ZINC000924596334 658621122 /nfs/dbraw/zinc/62/11/22/658621122.db2.gz YHQNCMYCEOUAIT-GRYCIOLGSA-N 2 2 298.387 -0.422 20 0 CBADLP CC1(C)CNC(=O)[C@@H]1[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000924758230 658636715 /nfs/dbraw/zinc/63/67/15/658636715.db2.gz YYPVMOVUSFOQDQ-LBPRGKRZSA-N 2 2 269.389 -0.053 20 0 CBADLP C[C@H]([C@H]1C[N@H+](C)CCO1)N1C(=O)N[C@@H](C[NH+](C)C)C1=O ZINC000924805315 658639645 /nfs/dbraw/zinc/63/96/45/658639645.db2.gz JTVUWXDGSXPMGI-OUAUKWLOSA-N 2 2 284.360 -0.813 20 0 CBADLP C[C@H]([C@H]1C[N@@H+](C)CCO1)N1C(=O)N[C@@H](C[NH+](C)C)C1=O ZINC000924805315 658639652 /nfs/dbraw/zinc/63/96/52/658639652.db2.gz JTVUWXDGSXPMGI-OUAUKWLOSA-N 2 2 284.360 -0.813 20 0 CBADLP C[N@@H+]1CCC[C@@H](N2C(=O)N[C@@H](Cc3c[nH]c[nH+]3)C2=O)C1 ZINC000925290807 658815734 /nfs/dbraw/zinc/81/57/34/658815734.db2.gz DXGBRDLVZVZWAR-MNOVXSKESA-N 2 2 277.328 -0.033 20 0 CBADLP C[N@H+]1CCC[C@@H](N2C(=O)N[C@@H](Cc3c[nH]c[nH+]3)C2=O)C1 ZINC000925290807 658815738 /nfs/dbraw/zinc/81/57/38/658815738.db2.gz DXGBRDLVZVZWAR-MNOVXSKESA-N 2 2 277.328 -0.033 20 0 CBADLP C[N@@H+]1CC[C@H]1CNC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000925411537 658839169 /nfs/dbraw/zinc/83/91/69/658839169.db2.gz ZKWVRWNRTCPCKZ-LBPRGKRZSA-N 2 2 284.404 -0.211 20 0 CBADLP C[N@H+]1CC[C@H]1CNC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000925411537 658839175 /nfs/dbraw/zinc/83/91/75/658839175.db2.gz ZKWVRWNRTCPCKZ-LBPRGKRZSA-N 2 2 284.404 -0.211 20 0 CBADLP CN(CCCN1CC[NH+](C)CC1)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000925414879 658841240 /nfs/dbraw/zinc/84/12/40/658841240.db2.gz PJKCOPMTWUDRAJ-CQSZACIVSA-N 2 2 297.447 -0.031 20 0 CBADLP CN(CCCN1CC[NH+](C)CC1)C(=O)NC[C@H]1CC[N@H+]1C ZINC000925414879 658841246 /nfs/dbraw/zinc/84/12/46/658841246.db2.gz PJKCOPMTWUDRAJ-CQSZACIVSA-N 2 2 297.447 -0.031 20 0 CBADLP CN(CCC[NH+]1CCN(C)CC1)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000925414879 658841248 /nfs/dbraw/zinc/84/12/48/658841248.db2.gz PJKCOPMTWUDRAJ-CQSZACIVSA-N 2 2 297.447 -0.031 20 0 CBADLP CN(CCC[NH+]1CCN(C)CC1)C(=O)NC[C@H]1CC[N@H+]1C ZINC000925414879 658841250 /nfs/dbraw/zinc/84/12/50/658841250.db2.gz PJKCOPMTWUDRAJ-CQSZACIVSA-N 2 2 297.447 -0.031 20 0 CBADLP C[N@@H+]1CC[C@@H]1CNC(=O)N1CC[C@@H]2OCC[NH+](C)[C@@H]2C1 ZINC000925422905 658844786 /nfs/dbraw/zinc/84/47/86/658844786.db2.gz XIGFJEKPJIUAFK-UPJWGTAASA-N 2 2 282.388 -0.195 20 0 CBADLP C[N@H+]1CC[C@@H]1CNC(=O)N1CC[C@@H]2OCC[NH+](C)[C@@H]2C1 ZINC000925422905 658844788 /nfs/dbraw/zinc/84/47/88/658844788.db2.gz XIGFJEKPJIUAFK-UPJWGTAASA-N 2 2 282.388 -0.195 20 0 CBADLP C[NH+]1CC[C@@H]1CNC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000925422905 658844794 /nfs/dbraw/zinc/84/47/94/658844794.db2.gz XIGFJEKPJIUAFK-UPJWGTAASA-N 2 2 282.388 -0.195 20 0 CBADLP C[NH+]1CC[C@@H]1CNC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000925422905 658844797 /nfs/dbraw/zinc/84/47/97/658844797.db2.gz XIGFJEKPJIUAFK-UPJWGTAASA-N 2 2 282.388 -0.195 20 0 CBADLP C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@H]2CC[NH+]2C)[C@H](C)C1 ZINC000925425207 658847246 /nfs/dbraw/zinc/84/72/46/658847246.db2.gz NEQALLRGFIFAFE-FRRDWIJNSA-N 2 2 284.404 -0.213 20 0 CBADLP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@H]2CC[NH+]2C)[C@H](C)C1 ZINC000925425207 658847252 /nfs/dbraw/zinc/84/72/52/658847252.db2.gz NEQALLRGFIFAFE-FRRDWIJNSA-N 2 2 284.404 -0.213 20 0 CBADLP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@H]2CC[N@@H+]2C)[C@H](C)C1 ZINC000925425207 658847254 /nfs/dbraw/zinc/84/72/54/658847254.db2.gz NEQALLRGFIFAFE-FRRDWIJNSA-N 2 2 284.404 -0.213 20 0 CBADLP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@H]2CC[N@H+]2C)[C@H](C)C1 ZINC000925425207 658847259 /nfs/dbraw/zinc/84/72/59/658847259.db2.gz NEQALLRGFIFAFE-FRRDWIJNSA-N 2 2 284.404 -0.213 20 0 CBADLP C[N@@H+]1CC[C@@H]1CNC(=O)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000925428442 658849384 /nfs/dbraw/zinc/84/93/84/658849384.db2.gz GDTSUFLGQWIORH-ZYHUDNBSSA-N 2 2 268.361 -0.849 20 0 CBADLP C[N@H+]1CC[C@@H]1CNC(=O)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000925428442 658849390 /nfs/dbraw/zinc/84/93/90/658849390.db2.gz GDTSUFLGQWIORH-ZYHUDNBSSA-N 2 2 268.361 -0.849 20 0 CBADLP C[NH+]1CC[C@@H]1CNC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000925428442 658849395 /nfs/dbraw/zinc/84/93/95/658849395.db2.gz GDTSUFLGQWIORH-ZYHUDNBSSA-N 2 2 268.361 -0.849 20 0 CBADLP C[NH+]1CC[C@@H]1CNC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000925428442 658849399 /nfs/dbraw/zinc/84/93/99/658849399.db2.gz GDTSUFLGQWIORH-ZYHUDNBSSA-N 2 2 268.361 -0.849 20 0 CBADLP C[N@@H+]1CC[C@H]1CNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000925434254 658853041 /nfs/dbraw/zinc/85/30/41/658853041.db2.gz IRPMDODFRFNTRA-QWHCGFSZSA-N 2 2 282.388 -0.193 20 0 CBADLP C[N@H+]1CC[C@H]1CNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000925434254 658853045 /nfs/dbraw/zinc/85/30/45/658853045.db2.gz IRPMDODFRFNTRA-QWHCGFSZSA-N 2 2 282.388 -0.193 20 0 CBADLP C[N@@H+]1CC[C@@H]1CNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000925434253 658853342 /nfs/dbraw/zinc/85/33/42/658853342.db2.gz IRPMDODFRFNTRA-OLZOCXBDSA-N 2 2 282.388 -0.193 20 0 CBADLP C[N@H+]1CC[C@@H]1CNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000925434253 658853347 /nfs/dbraw/zinc/85/33/47/658853347.db2.gz IRPMDODFRFNTRA-OLZOCXBDSA-N 2 2 282.388 -0.193 20 0 CBADLP C[C@@H]1COC[C@@H]1[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000925448807 658855667 /nfs/dbraw/zinc/85/56/67/658855667.db2.gz INPLCBOGJSMCIK-MCIONIFRSA-N 2 2 297.399 -0.456 20 0 CBADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NCC[NH+](C)C ZINC000925591921 658860759 /nfs/dbraw/zinc/86/07/59/658860759.db2.gz DSCJIQYXAHWHBZ-GFCCVEGCSA-N 2 2 272.393 -0.042 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC000963015372 658861861 /nfs/dbraw/zinc/86/18/61/658861861.db2.gz GRFQIEIKDCQJJF-PJXYFTJBSA-N 2 2 264.329 -0.688 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC000963015372 658861865 /nfs/dbraw/zinc/86/18/65/658861865.db2.gz GRFQIEIKDCQJJF-PJXYFTJBSA-N 2 2 264.329 -0.688 20 0 CBADLP CS(=O)(=O)N1CCC[C@@H]1C[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925606101 658862168 /nfs/dbraw/zinc/86/21/68/658862168.db2.gz HDZJBXXLBVGIOH-GMDXDWKASA-N 2 2 299.440 -0.004 20 0 CBADLP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925609850 658862513 /nfs/dbraw/zinc/86/25/13/658862513.db2.gz WMRBJNVJLOLOQY-ZIAGYGMSSA-N 3 2 271.405 -0.199 20 0 CBADLP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925609850 658862517 /nfs/dbraw/zinc/86/25/17/658862517.db2.gz WMRBJNVJLOLOQY-ZIAGYGMSSA-N 3 2 271.405 -0.199 20 0 CBADLP CC1(C)[NH2+]CC[C@H]1[NH2+]CCNC(=O)c1ccn[nH]1 ZINC000925631511 658863602 /nfs/dbraw/zinc/86/36/02/658863602.db2.gz HLTUEAUWYUUXLD-SNVBAGLBSA-N 2 2 251.334 -0.130 20 0 CBADLP COC(=O)CCNC(=O)CC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925719331 658868072 /nfs/dbraw/zinc/86/80/72/658868072.db2.gz RIINGYMLDLNJBD-NSHDSACASA-N 2 2 283.372 -0.070 20 0 CBADLP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@@]12COCCN1C(=O)COC2 ZINC000925726472 658868942 /nfs/dbraw/zinc/86/89/42/658868942.db2.gz ILYRXEOUVXUCQX-RISCZKNCSA-N 2 2 283.372 -0.656 20 0 CBADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@@]12COCCN1C(=O)COC2 ZINC000925728885 658869054 /nfs/dbraw/zinc/86/90/54/658869054.db2.gz XRYKEYSOSUALHY-OBJOEFQTSA-N 2 2 283.372 -0.656 20 0 CBADLP O=C1COC[C@@]2(C[NH2+][C@H]3CC[NH2+]C34CCC4)COCCN12 ZINC000925728388 658869086 /nfs/dbraw/zinc/86/90/86/658869086.db2.gz UESRQCJAYUIRDS-GXTWGEPZSA-N 2 2 295.383 -0.512 20 0 CBADLP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1nnc2n1CCNC2=O ZINC000925767499 658871121 /nfs/dbraw/zinc/87/11/21/658871121.db2.gz VHKOHPKYMIIJCL-UWVGGRQHSA-N 2 2 278.360 -0.371 20 0 CBADLP [NH3+]C1CCN(CC[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)CC1 ZINC000925817658 658873113 /nfs/dbraw/zinc/87/31/13/658873113.db2.gz UXJMLSCAFKQTMR-CABCVRRESA-N 3 2 282.432 -0.234 20 0 CBADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@@H](O)c1ccnn1C ZINC000925888656 658875528 /nfs/dbraw/zinc/87/55/28/658875528.db2.gz DXAIQVXWUXTXAU-NTZNESFSSA-N 2 2 268.361 -0.190 20 0 CBADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C)CC2)CC[C@H]1C[NH3+] ZINC000926417070 658899245 /nfs/dbraw/zinc/89/92/45/658899245.db2.gz WJFJKIFVIBNTQM-NEPJUHHUSA-N 2 2 282.388 -0.796 20 0 CBADLP C[C@@H]1COC[C@H]1[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000926750125 658912936 /nfs/dbraw/zinc/91/29/36/658912936.db2.gz PEIIXVTVDLDJDH-UTUOFQBUSA-N 2 2 255.362 -0.049 20 0 CBADLP C[C@@H]1COC[C@H]1[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000926750125 658912938 /nfs/dbraw/zinc/91/29/38/658912938.db2.gz PEIIXVTVDLDJDH-UTUOFQBUSA-N 2 2 255.362 -0.049 20 0 CBADLP C[C@H]1CC[N@H+](CCO)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000968544136 658931179 /nfs/dbraw/zinc/93/11/79/658931179.db2.gz IDGHBXDHRSBFMI-WCQYABFASA-N 2 2 280.372 -0.219 20 0 CBADLP C[C@H]1CC[N@@H+](CCO)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000968544136 658931184 /nfs/dbraw/zinc/93/11/84/658931184.db2.gz IDGHBXDHRSBFMI-WCQYABFASA-N 2 2 280.372 -0.219 20 0 CBADLP C[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000968548993 658931643 /nfs/dbraw/zinc/93/16/43/658931643.db2.gz LFCHNKLIDCCGKG-VXGBXAGGSA-N 2 2 294.399 -0.606 20 0 CBADLP C[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000968548993 658931649 /nfs/dbraw/zinc/93/16/49/658931649.db2.gz LFCHNKLIDCCGKG-VXGBXAGGSA-N 2 2 294.399 -0.606 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)N1CC[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC000968877657 658943137 /nfs/dbraw/zinc/94/31/37/658943137.db2.gz XLBZRSZATTZGCZ-NEPJUHHUSA-N 2 2 291.355 -0.579 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)N1CC[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC000968877657 658943146 /nfs/dbraw/zinc/94/31/46/658943146.db2.gz XLBZRSZATTZGCZ-NEPJUHHUSA-N 2 2 291.355 -0.579 20 0 CBADLP C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1C[NH+](CC(=O)N(C)C)C1 ZINC000969411710 658989266 /nfs/dbraw/zinc/98/92/66/658989266.db2.gz OOXCAPUCWMKCNW-AAEUAGOBSA-N 2 2 296.415 -0.395 20 0 CBADLP C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1C[NH+](CC(=O)N(C)C)C1 ZINC000969411710 658989300 /nfs/dbraw/zinc/98/93/00/658989300.db2.gz OOXCAPUCWMKCNW-AAEUAGOBSA-N 2 2 296.415 -0.395 20 0 CBADLP C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1C[NH+](CC(N)=O)C1 ZINC000969702627 659011049 /nfs/dbraw/zinc/01/10/49/659011049.db2.gz APAOOVPHAPFVPN-CKYFFXLPSA-N 2 2 282.388 -0.752 20 0 CBADLP C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1C[NH+](CC(N)=O)C1 ZINC000969702627 659011051 /nfs/dbraw/zinc/01/10/51/659011051.db2.gz APAOOVPHAPFVPN-CKYFFXLPSA-N 2 2 282.388 -0.752 20 0 CBADLP C[C@@H](NC(=O)[C@@H]1C[NH+]2CCC1CC2)C1C[NH+](CC(N)=O)C1 ZINC000969678147 659011381 /nfs/dbraw/zinc/01/13/81/659011381.db2.gz UHOWYANVMBZAHB-ZWNOBZJWSA-N 2 2 294.399 -0.750 20 0 CBADLP NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000969911394 659023099 /nfs/dbraw/zinc/02/30/99/659023099.db2.gz TYMGGCUNNIXGDD-ZJUUUORDSA-N 2 2 291.355 -0.495 20 0 CBADLP C[C@@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)C1C[NH+](CCO)C1 ZINC000969992428 659028704 /nfs/dbraw/zinc/02/87/04/659028704.db2.gz MFWCUVXNWMLGPX-NEPJUHHUSA-N 2 2 292.383 -0.126 20 0 CBADLP C[C@H](NC(=O)C12CCC[NH+]1CCC2)C1C[NH+](CC(N)=O)C1 ZINC000970050022 659032070 /nfs/dbraw/zinc/03/20/70/659032070.db2.gz JMIZGMUNMVNUEY-NSHDSACASA-N 2 2 294.399 -0.463 20 0 CBADLP C[C@H](C(=O)NC[C@@H]1CC[N@@H+]1C)N1CC[NH+](C)CC1 ZINC000928564287 659046142 /nfs/dbraw/zinc/04/61/42/659046142.db2.gz UPJYOOXATQRGFX-NEPJUHHUSA-N 2 2 254.378 -0.557 20 0 CBADLP C[C@H](C(=O)NC[C@@H]1CC[N@H+]1C)N1CC[NH+](C)CC1 ZINC000928564287 659046149 /nfs/dbraw/zinc/04/61/49/659046149.db2.gz UPJYOOXATQRGFX-NEPJUHHUSA-N 2 2 254.378 -0.557 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC000970343940 659049982 /nfs/dbraw/zinc/04/99/82/659049982.db2.gz SZKZHXFBMGOTMA-NXEZZACHSA-N 2 2 277.328 -0.969 20 0 CBADLP O=C(C[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1)N1CCC1 ZINC000970342190 659050425 /nfs/dbraw/zinc/05/04/25/659050425.db2.gz WHQSWUAUPRUUNF-LLVKDONJSA-N 2 2 291.355 -0.625 20 0 CBADLP C[C@@H]([NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1)C(N)=O ZINC000970341618 659050745 /nfs/dbraw/zinc/05/07/45/659050745.db2.gz SGDFDIGJMYEORR-RKDXNWHRSA-N 2 2 265.317 -0.984 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]([NH2+][C@H](C)C(N)=O)C1 ZINC000970577547 659061277 /nfs/dbraw/zinc/06/12/77/659061277.db2.gz YGTUMPNKMOGBEZ-NXEZZACHSA-N 2 2 279.344 -0.675 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC000970856562 659072612 /nfs/dbraw/zinc/07/26/12/659072612.db2.gz NGRXREQCZILWGV-VXGBXAGGSA-N 2 2 291.355 -0.648 20 0 CBADLP C[NH+](C)CC(=O)N1CC[NH+](CCOC2CC2)CC1 ZINC000929258768 659108619 /nfs/dbraw/zinc/10/86/19/659108619.db2.gz DSZDYJBDCZUSMA-UHFFFAOYSA-N 2 2 255.362 -0.129 20 0 CBADLP C[N@@H+]1CC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000929744303 659166891 /nfs/dbraw/zinc/16/68/91/659166891.db2.gz CNEUDCLGVYWKKS-PWSUYJOCSA-N 2 2 280.372 -0.840 20 0 CBADLP C[N@H+]1CC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000929744303 659166905 /nfs/dbraw/zinc/16/69/05/659166905.db2.gz CNEUDCLGVYWKKS-PWSUYJOCSA-N 2 2 280.372 -0.840 20 0 CBADLP C[NH+]1CC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000929744303 659166912 /nfs/dbraw/zinc/16/69/12/659166912.db2.gz CNEUDCLGVYWKKS-PWSUYJOCSA-N 2 2 280.372 -0.840 20 0 CBADLP C[NH+]1CC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000929744303 659166920 /nfs/dbraw/zinc/16/69/20/659166920.db2.gz CNEUDCLGVYWKKS-PWSUYJOCSA-N 2 2 280.372 -0.840 20 0 CBADLP C[C@H](O)[C@H](O)C[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000930073336 659202188 /nfs/dbraw/zinc/20/21/88/659202188.db2.gz ZGHFYDFVQXRXFG-CYZMBNFOSA-N 2 2 285.388 -0.858 20 0 CBADLP C[C@H](O)[C@H](O)C[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000930073336 659202195 /nfs/dbraw/zinc/20/21/95/659202195.db2.gz ZGHFYDFVQXRXFG-CYZMBNFOSA-N 2 2 285.388 -0.858 20 0 CBADLP Cn1cc[nH+]c1N1CC[NH+](C[C@@H](O)C2(O)CCC2)CC1 ZINC000930066985 659202874 /nfs/dbraw/zinc/20/28/74/659202874.db2.gz IZQVSDLDRCOFPI-GFCCVEGCSA-N 2 2 280.372 -0.182 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]([N@@H+](C)[C@H](C)C(N)=O)C1 ZINC000980406117 659270023 /nfs/dbraw/zinc/27/00/23/659270023.db2.gz AHQWOMNCTYIHFD-ZYHUDNBSSA-N 2 2 293.371 -0.402 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]([N@H+](C)[C@H](C)C(N)=O)C1 ZINC000980406117 659270040 /nfs/dbraw/zinc/27/00/40/659270040.db2.gz AHQWOMNCTYIHFD-ZYHUDNBSSA-N 2 2 293.371 -0.402 20 0 CBADLP CC(C)C[NH2+]C1(CO)CC[NH+](C[C@@H](O)[C@@H](C)O)CC1 ZINC000930625714 659312101 /nfs/dbraw/zinc/31/21/01/659312101.db2.gz IGTVOJIZRGBXTJ-CHWSQXEVSA-N 2 2 274.405 -0.199 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CCC[C@H]([NH2+]CCO)C1 ZINC000981357589 659315981 /nfs/dbraw/zinc/31/59/81/659315981.db2.gz YVPDNISPVLGPBG-WDEREUQCSA-N 2 2 266.345 -0.039 20 0 CBADLP C[C@@H](O)[C@@H](O)C[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000930672578 659317918 /nfs/dbraw/zinc/31/79/18/659317918.db2.gz BMFMVRUJLSBFFK-YPMHNXCESA-N 2 2 272.389 -0.445 20 0 CBADLP C[C@H](O)[C@@H](O)C[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000930672575 659317995 /nfs/dbraw/zinc/31/79/95/659317995.db2.gz BMFMVRUJLSBFFK-AAEUAGOBSA-N 2 2 272.389 -0.445 20 0 CBADLP NC(=O)C[NH2+][C@@H]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000981547327 659322897 /nfs/dbraw/zinc/32/28/97/659322897.db2.gz DWZROAXAXMHPFC-MNOVXSKESA-N 2 2 279.344 -0.615 20 0 CBADLP NC(=O)C[NH2+][C@H]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000981547329 659323421 /nfs/dbraw/zinc/32/34/21/659323421.db2.gz DWZROAXAXMHPFC-WDEREUQCSA-N 2 2 279.344 -0.615 20 0 CBADLP C[C@@H]1NC(=O)[C@H](C)[N@H+](CCC(=O)N2CC[NH+](C)CC2)[C@H]1C ZINC000930840244 659351453 /nfs/dbraw/zinc/35/14/53/659351453.db2.gz SNRMYXYJHVXCLY-AVGNSLFASA-N 2 2 296.415 -0.252 20 0 CBADLP C[C@@H]1NC(=O)[C@H](C)[N@@H+](CCC(=O)N2CC[NH+](C)CC2)[C@H]1C ZINC000930840244 659351462 /nfs/dbraw/zinc/35/14/62/659351462.db2.gz SNRMYXYJHVXCLY-AVGNSLFASA-N 2 2 296.415 -0.252 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC000985171233 659373400 /nfs/dbraw/zinc/37/34/00/659373400.db2.gz MGEPDLXGLPDQIW-SRVKXCTJSA-N 2 2 291.355 -0.744 20 0 CBADLP C[N@H+](CC(N)=O)C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000985562683 659388821 /nfs/dbraw/zinc/38/88/21/659388821.db2.gz MXVZQHKLZDCNNV-UHFFFAOYSA-N 2 2 293.371 -0.319 20 0 CBADLP C[N@@H+](CC(N)=O)C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000985562683 659388827 /nfs/dbraw/zinc/38/88/27/659388827.db2.gz MXVZQHKLZDCNNV-UHFFFAOYSA-N 2 2 293.371 -0.319 20 0 CBADLP CNC(=O)NC(=O)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931281015 659423188 /nfs/dbraw/zinc/42/31/88/659423188.db2.gz UMGDVNTXKLCQFO-JZYVYDRUSA-N 2 2 254.334 -0.676 20 0 CBADLP CNC(=O)NC(=O)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931281015 659423198 /nfs/dbraw/zinc/42/31/98/659423198.db2.gz UMGDVNTXKLCQFO-JZYVYDRUSA-N 2 2 254.334 -0.676 20 0 CBADLP COC[C@@H](C)OC[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931277339 659424702 /nfs/dbraw/zinc/42/47/02/659424702.db2.gz JKCBQTDHXOZKJA-BJJPWKGXSA-N 2 2 272.389 -0.109 20 0 CBADLP COC[C@@H](C)OC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931277339 659424707 /nfs/dbraw/zinc/42/47/07/659424707.db2.gz JKCBQTDHXOZKJA-BJJPWKGXSA-N 2 2 272.389 -0.109 20 0 CBADLP CCC1([NH+]2CCOCC2)CC[NH+](C[C@@H](O)CO)CC1 ZINC000931329595 659429657 /nfs/dbraw/zinc/42/96/57/659429657.db2.gz VEEKEMBHSTWJGT-CYBMUJFWSA-N 2 2 272.389 -0.084 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)N2CC[N@H+](C)[C@@H](CO)C2)CC1 ZINC000931412649 659459027 /nfs/dbraw/zinc/45/90/27/659459027.db2.gz ZIEAVXZKCKCZFK-ZIAGYGMSSA-N 2 2 298.431 -0.853 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)N2CC[N@@H+](C)[C@@H](CO)C2)CC1 ZINC000931412649 659459036 /nfs/dbraw/zinc/45/90/36/659459036.db2.gz ZIEAVXZKCKCZFK-ZIAGYGMSSA-N 2 2 298.431 -0.853 20 0 CBADLP C[C@@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)CCc1[nH+]ccn1C ZINC000986604935 659463686 /nfs/dbraw/zinc/46/36/86/659463686.db2.gz VCVLMYRULGQDSN-MNOVXSKESA-N 2 2 293.371 -0.583 20 0 CBADLP C[C@@H]1[C@H]([NH2+]CCO)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000987056593 659488712 /nfs/dbraw/zinc/48/87/12/659488712.db2.gz GJEQGSADHXGOEH-MWLCHTKSSA-N 2 2 252.318 -0.477 20 0 CBADLP COC1(OC)CC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C[C@@H]1O ZINC000931633008 659496284 /nfs/dbraw/zinc/49/62/84/659496284.db2.gz FMCHIGDDLURRAQ-OLZOCXBDSA-N 2 2 288.388 -0.503 20 0 CBADLP COC1(OC)CC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C[C@@H]1O ZINC000931633008 659496290 /nfs/dbraw/zinc/49/62/90/659496290.db2.gz FMCHIGDDLURRAQ-OLZOCXBDSA-N 2 2 288.388 -0.503 20 0 CBADLP COC1(OC)CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C[C@@H]1O ZINC000931633008 659496301 /nfs/dbraw/zinc/49/63/01/659496301.db2.gz FMCHIGDDLURRAQ-OLZOCXBDSA-N 2 2 288.388 -0.503 20 0 CBADLP COC1(OC)CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C[C@@H]1O ZINC000931633008 659496308 /nfs/dbraw/zinc/49/63/08/659496308.db2.gz FMCHIGDDLURRAQ-OLZOCXBDSA-N 2 2 288.388 -0.503 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@H]2C(=O)NCC2(C)C)CC1 ZINC000931664685 659507306 /nfs/dbraw/zinc/50/73/06/659507306.db2.gz TUDPRRKRDBAFEH-RYUDHWBXSA-N 2 2 296.415 -0.347 20 0 CBADLP C[C@@H]1C[C@H]([NH2+]CC(N)=O)CN1C(=O)CCc1c[nH]c[nH+]1 ZINC000988934078 659562248 /nfs/dbraw/zinc/56/22/48/659562248.db2.gz PZLKJODJBFJPNO-KOLCDFICSA-N 2 2 279.344 -0.593 20 0 CBADLP C[C@@H]1C[C@@H]([NH2+]CCO)CN1C(=O)CCc1c[nH]c[nH+]1 ZINC000988934336 659563693 /nfs/dbraw/zinc/56/36/93/659563693.db2.gz SBJFDYKAXJRNOQ-ZYHUDNBSSA-N 2 2 266.345 -0.086 20 0 CBADLP C[C@@H]1C[C@@H]([NH2+]CCO)CN1C(=O)CCc1c[nH+]c[nH]1 ZINC000988934336 659563697 /nfs/dbraw/zinc/56/36/97/659563697.db2.gz SBJFDYKAXJRNOQ-ZYHUDNBSSA-N 2 2 266.345 -0.086 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+]1CCCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000989669813 659605921 /nfs/dbraw/zinc/60/59/21/659605921.db2.gz JCCKEDKGHHGPIH-CYBMUJFWSA-N 2 2 296.415 -0.120 20 0 CBADLP CC[C@H](C(N)=O)[N@H+]1CCCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000989669813 659605926 /nfs/dbraw/zinc/60/59/26/659605926.db2.gz JCCKEDKGHHGPIH-CYBMUJFWSA-N 2 2 296.415 -0.120 20 0 CBADLP C[N@@H+]1CC[C@@H](C(=O)N2CCC[NH+]([C@@H]3CCNC3=O)CC2)C1 ZINC000989662297 659606587 /nfs/dbraw/zinc/60/65/87/659606587.db2.gz RZXHJTVNQWRMLA-CHWSQXEVSA-N 2 2 294.399 -0.639 20 0 CBADLP C[N@H+]1CC[C@@H](C(=O)N2CCC[NH+]([C@@H]3CCNC3=O)CC2)C1 ZINC000989662297 659606589 /nfs/dbraw/zinc/60/65/89/659606589.db2.gz RZXHJTVNQWRMLA-CHWSQXEVSA-N 2 2 294.399 -0.639 20 0 CBADLP C[NH+]1CC[C@@H](C(=O)N2CCC[N@@H+]([C@@H]3CCNC3=O)CC2)C1 ZINC000989662297 659606594 /nfs/dbraw/zinc/60/65/94/659606594.db2.gz RZXHJTVNQWRMLA-CHWSQXEVSA-N 2 2 294.399 -0.639 20 0 CBADLP C[NH+]1CC[C@@H](C(=O)N2CCC[N@H+]([C@@H]3CCNC3=O)CC2)C1 ZINC000989662297 659606596 /nfs/dbraw/zinc/60/65/96/659606596.db2.gz RZXHJTVNQWRMLA-CHWSQXEVSA-N 2 2 294.399 -0.639 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]([NH2+]CC(N)=O)C[C@@H]1C ZINC000989724672 659609169 /nfs/dbraw/zinc/60/91/69/659609169.db2.gz BMYFXSLKJHMQCG-WCBMZHEXSA-N 2 2 279.344 -0.675 20 0 CBADLP C[C@@H]1C[C@@H]([NH2+]CCO)CN1C(=O)CCc1c[nH+]cn1C ZINC000989737412 659611343 /nfs/dbraw/zinc/61/13/43/659611343.db2.gz YKJVOTGEAWAUQT-VXGBXAGGSA-N 2 2 280.372 -0.076 20 0 CBADLP C[C@H]1C[C@@H]([NH2+]CCO)CN1C(=O)Cn1cc[nH+]c1 ZINC000989856369 659618454 /nfs/dbraw/zinc/61/84/54/659618454.db2.gz ANEMYQVJNXNBCS-WDEREUQCSA-N 2 2 252.318 -0.546 20 0 CBADLP C[C@@H]1C[C@H]([NH2+]CCO)CN1C(=O)Cn1cc[nH+]c1 ZINC000989856367 659618737 /nfs/dbraw/zinc/61/87/37/659618737.db2.gz ANEMYQVJNXNBCS-MNOVXSKESA-N 2 2 252.318 -0.546 20 0 CBADLP C[NH+]1CCC(NC(=O)C[N@@H+]2C3CCC2(C(N)=O)CC3)CC1 ZINC000932937098 659638679 /nfs/dbraw/zinc/63/86/79/659638679.db2.gz HWMXDWJSAYXUIP-UHFFFAOYSA-N 2 2 294.399 -0.321 20 0 CBADLP C[NH+]1CCC(NC(=O)C[N@H+]2C3CCC2(C(N)=O)CC3)CC1 ZINC000932937098 659638687 /nfs/dbraw/zinc/63/86/87/659638687.db2.gz HWMXDWJSAYXUIP-UHFFFAOYSA-N 2 2 294.399 -0.321 20 0 CBADLP O=S1(=O)NC[C@@H]2C[N@H+](CCCn3cc[nH+]c3)CCN21 ZINC000933096617 659672263 /nfs/dbraw/zinc/67/22/63/659672263.db2.gz KHYCYYYDBWIFGU-LLVKDONJSA-N 2 2 285.373 -0.893 20 0 CBADLP O=S1(=O)NC[C@@H]2C[N@@H+](CCCn3cc[nH+]c3)CCN21 ZINC000933096617 659672274 /nfs/dbraw/zinc/67/22/74/659672274.db2.gz KHYCYYYDBWIFGU-LLVKDONJSA-N 2 2 285.373 -0.893 20 0 CBADLP CC[N@H+](CCC(=O)NC)[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000933866145 659743592 /nfs/dbraw/zinc/74/35/92/659743592.db2.gz AVKUYOABXBUKMF-CYBMUJFWSA-N 2 2 298.431 -0.003 20 0 CBADLP CC[N@@H+](CCC(=O)NC)[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000933866145 659743595 /nfs/dbraw/zinc/74/35/95/659743595.db2.gz AVKUYOABXBUKMF-CYBMUJFWSA-N 2 2 298.431 -0.003 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)Cn2cc[nH+]c2)C1 ZINC000990506504 659753280 /nfs/dbraw/zinc/75/32/80/659753280.db2.gz CIUSJKXCTYXAHP-GFCCVEGCSA-N 2 2 291.355 -0.696 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)Cn2cc[nH+]c2)C1 ZINC000990506504 659753287 /nfs/dbraw/zinc/75/32/87/659753287.db2.gz CIUSJKXCTYXAHP-GFCCVEGCSA-N 2 2 291.355 -0.696 20 0 CBADLP C[N@@H+]1CC[C@H](C(=O)NC2CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC000991716627 659842544 /nfs/dbraw/zinc/84/25/44/659842544.db2.gz FEOWEONJIITRAY-NSHDSACASA-N 2 2 291.355 -0.838 20 0 CBADLP C[N@H+]1CC[C@H](C(=O)NC2CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC000991716627 659842547 /nfs/dbraw/zinc/84/25/47/659842547.db2.gz FEOWEONJIITRAY-NSHDSACASA-N 2 2 291.355 -0.838 20 0 CBADLP O=C(C[NH+]1CCCC1)NC1CN(C(=O)Cn2cc[nH+]c2)C1 ZINC000991753612 659844830 /nfs/dbraw/zinc/84/48/30/659844830.db2.gz PNAYLDGUXKSATR-UHFFFAOYSA-N 2 2 291.355 -0.694 20 0 CBADLP C[N@@H+]1CC[C@@H](C(=O)N2CC(NC(=O)Cn3cc[nH+]c3)C2)C1 ZINC000994922534 659888508 /nfs/dbraw/zinc/88/85/08/659888508.db2.gz HPBFBDYUDZVFPT-LLVKDONJSA-N 2 2 291.355 -0.838 20 0 CBADLP C[N@H+]1CC[C@@H](C(=O)N2CC(NC(=O)Cn3cc[nH+]c3)C2)C1 ZINC000994922534 659888510 /nfs/dbraw/zinc/88/85/10/659888510.db2.gz HPBFBDYUDZVFPT-LLVKDONJSA-N 2 2 291.355 -0.838 20 0 CBADLP C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1[NH2+]CC(N)=O ZINC000939644088 659891823 /nfs/dbraw/zinc/89/18/23/659891823.db2.gz YRYAWZAPPVUXCZ-ZYHUDNBSSA-N 2 2 293.371 -0.726 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](CC(N)=O)[C@H](C)C1 ZINC000947547265 659957503 /nfs/dbraw/zinc/95/75/03/659957503.db2.gz PTPKNFOKZUIITE-PWSUYJOCSA-N 2 2 293.371 -0.354 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](CC(N)=O)[C@H](C)C1 ZINC000947547265 659957507 /nfs/dbraw/zinc/95/75/07/659957507.db2.gz PTPKNFOKZUIITE-PWSUYJOCSA-N 2 2 293.371 -0.354 20 0 CBADLP C[C@@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC[N@@H+]1CCO ZINC000947861480 659962187 /nfs/dbraw/zinc/96/21/87/659962187.db2.gz NBMSYBANUNBAGC-GHMZBOCLSA-N 2 2 266.345 -0.086 20 0 CBADLP C[C@@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC[N@H+]1CCO ZINC000947861480 659962189 /nfs/dbraw/zinc/96/21/89/659962189.db2.gz NBMSYBANUNBAGC-GHMZBOCLSA-N 2 2 266.345 -0.086 20 0 CBADLP C[C@@H](O)C[NH+]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC000948759476 659969690 /nfs/dbraw/zinc/96/96/90/659969690.db2.gz ARIZFZJTUQPSKS-YPMHNXCESA-N 2 2 269.389 -0.148 20 0 CBADLP C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC000948759474 659970043 /nfs/dbraw/zinc/97/00/43/659970043.db2.gz ARIZFZJTUQPSKS-DGCLKSJQSA-N 2 2 269.389 -0.148 20 0 CBADLP C[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)[C@@H]2C1 ZINC001076462328 805576410 /nfs/dbraw/zinc/57/64/10/805576410.db2.gz QIFUMKMBJUMLEI-SGMGOOAPSA-N 2 2 292.383 -0.124 20 0 CBADLP C[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)[C@@H]2C1 ZINC001076462328 805576415 /nfs/dbraw/zinc/57/64/15/805576415.db2.gz QIFUMKMBJUMLEI-SGMGOOAPSA-N 2 2 292.383 -0.124 20 0 CBADLP C[NH+]1CCN(CCOCCN2CC[NH+](C)CC2)CC1 ZINC000034426391 790320235 /nfs/dbraw/zinc/32/02/35/790320235.db2.gz XBURSGHPOQPWEC-UHFFFAOYSA-N 2 2 270.421 -0.502 20 0 CBADLP CN1CC[NH+](CCOCCN2CC[NH+](C)CC2)CC1 ZINC000034426391 790320255 /nfs/dbraw/zinc/32/02/55/790320255.db2.gz XBURSGHPOQPWEC-UHFFFAOYSA-N 2 2 270.421 -0.502 20 0 CBADLP CC(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001076838967 805637881 /nfs/dbraw/zinc/63/78/81/805637881.db2.gz VCBSZYHTGDRFBU-JHJVBQTASA-N 2 2 285.388 -0.866 20 0 CBADLP CC(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001076838967 805637884 /nfs/dbraw/zinc/63/78/84/805637884.db2.gz VCBSZYHTGDRFBU-JHJVBQTASA-N 2 2 285.388 -0.866 20 0 CBADLP CC(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001076838967 805637892 /nfs/dbraw/zinc/63/78/92/805637892.db2.gz VCBSZYHTGDRFBU-JHJVBQTASA-N 2 2 285.388 -0.866 20 0 CBADLP CC(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001076838967 805637897 /nfs/dbraw/zinc/63/78/97/805637897.db2.gz VCBSZYHTGDRFBU-JHJVBQTASA-N 2 2 285.388 -0.866 20 0 CBADLP O[C@@H](C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1)C(F)(F)F ZINC000310986426 790476589 /nfs/dbraw/zinc/47/65/89/790476589.db2.gz GYHUJVPBMRZELE-ZJUUUORDSA-N 2 2 267.295 -0.111 20 0 CBADLP Cn1c[nH+]c(CCNC(=O)C[C@@H]2COCC[NH2+]2)c1 ZINC000313272936 790478597 /nfs/dbraw/zinc/47/85/97/790478597.db2.gz XSDMYVYYNPKMNU-LLVKDONJSA-N 2 2 252.318 -0.543 20 0 CBADLP COCCOC[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000385096385 790540235 /nfs/dbraw/zinc/54/02/35/790540235.db2.gz GYIFAIYQQRQBON-WUHRBBMRSA-N 2 2 258.362 -0.498 20 0 CBADLP COCCOC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000385096385 790540241 /nfs/dbraw/zinc/54/02/41/790540241.db2.gz GYIFAIYQQRQBON-WUHRBBMRSA-N 2 2 258.362 -0.498 20 0 CBADLP C[N@H+](CCN1CC[NH2+]CC1)C[C@H](O)C[NH+]1CCCC1 ZINC000388372203 790555057 /nfs/dbraw/zinc/55/50/57/790555057.db2.gz JWZJLRTWDLOVCV-AWEZNQCLSA-N 3 2 270.421 -0.720 20 0 CBADLP C[N@@H+](CCN1CC[NH2+]CC1)C[C@H](O)C[NH+]1CCCC1 ZINC000388372203 790555066 /nfs/dbraw/zinc/55/50/66/790555066.db2.gz JWZJLRTWDLOVCV-AWEZNQCLSA-N 3 2 270.421 -0.720 20 0 CBADLP Cn1c[nH+]cc1CNS(=O)(=O)CC1CC[NH2+]CC1 ZINC000388486524 790557667 /nfs/dbraw/zinc/55/76/67/790557667.db2.gz CPEYIBQJCHKOSE-UHFFFAOYSA-N 2 2 272.374 -0.161 20 0 CBADLP CNC(=O)CN1CCC([NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000399147404 790598816 /nfs/dbraw/zinc/59/88/16/790598816.db2.gz XOQAHSAOXBCZJG-DGCLKSJQSA-N 2 2 268.405 -0.073 20 0 CBADLP CNC(=O)C[NH+]1CCC(N[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000399147404 790598834 /nfs/dbraw/zinc/59/88/34/790598834.db2.gz XOQAHSAOXBCZJG-DGCLKSJQSA-N 2 2 268.405 -0.073 20 0 CBADLP CNC(=O)CN1CCC([NH2+][C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000399147821 790599167 /nfs/dbraw/zinc/59/91/67/790599167.db2.gz XOQAHSAOXBCZJG-YPMHNXCESA-N 2 2 268.405 -0.073 20 0 CBADLP CNC(=O)C[NH+]1CCC(N[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000399147821 790599193 /nfs/dbraw/zinc/59/91/93/790599193.db2.gz XOQAHSAOXBCZJG-YPMHNXCESA-N 2 2 268.405 -0.073 20 0 CBADLP C[C@@H]1[C@@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)CO[C@H]1C ZINC000405711617 790618540 /nfs/dbraw/zinc/61/85/40/790618540.db2.gz GPWNSFFLXPZCIM-SRVKXCTJSA-N 2 2 255.362 -0.227 20 0 CBADLP CC[N@H+](CCS(C)(=O)=O)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000686230494 790649289 /nfs/dbraw/zinc/64/92/89/790649289.db2.gz BYDSUZQQTMPAFT-NSHDSACASA-N 2 2 276.402 -0.126 20 0 CBADLP CC[N@@H+](CCS(C)(=O)=O)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000686230494 790649294 /nfs/dbraw/zinc/64/92/94/790649294.db2.gz BYDSUZQQTMPAFT-NSHDSACASA-N 2 2 276.402 -0.126 20 0 CBADLP C[N@H+](CCS(C)(=O)=O)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000686233915 790648843 /nfs/dbraw/zinc/64/88/43/790648843.db2.gz CSTYRYPFAFFGPR-JTQLQIEISA-N 2 2 262.375 -0.516 20 0 CBADLP C[N@@H+](CCS(C)(=O)=O)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000686233915 790648848 /nfs/dbraw/zinc/64/88/48/790648848.db2.gz CSTYRYPFAFFGPR-JTQLQIEISA-N 2 2 262.375 -0.516 20 0 CBADLP C[NH+]1CCC(C(=O)N2CC[N@H+](C)[C@H](CO)C2)CC1 ZINC000687593598 790658839 /nfs/dbraw/zinc/65/88/39/790658839.db2.gz ZDMLFCGWYHIWLL-LBPRGKRZSA-N 2 2 255.362 -0.537 20 0 CBADLP C[NH+]1CCC(C(=O)N2CC[N@@H+](C)[C@H](CO)C2)CC1 ZINC000687593598 790658847 /nfs/dbraw/zinc/65/88/47/790658847.db2.gz ZDMLFCGWYHIWLL-LBPRGKRZSA-N 2 2 255.362 -0.537 20 0 CBADLP C[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)CC[C@H]1[NH3+] ZINC000695042648 790687700 /nfs/dbraw/zinc/68/77/00/790687700.db2.gz OHFFPCSZDUWVKP-GHMZBOCLSA-N 2 2 261.391 -0.309 20 0 CBADLP C[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)CC[C@H]1[NH3+] ZINC000695042648 790687705 /nfs/dbraw/zinc/68/77/05/790687705.db2.gz OHFFPCSZDUWVKP-GHMZBOCLSA-N 2 2 261.391 -0.309 20 0 CBADLP C[NH2+]C[C@H]1CC[N@H+](CCN2CCCS2(=O)=O)C1 ZINC000695060091 790687751 /nfs/dbraw/zinc/68/77/51/790687751.db2.gz VPTCPMBEIPCZSB-LLVKDONJSA-N 2 2 261.391 -0.437 20 0 CBADLP C[NH2+]C[C@H]1CC[N@@H+](CCN2CCCS2(=O)=O)C1 ZINC000695060091 790687758 /nfs/dbraw/zinc/68/77/58/790687758.db2.gz VPTCPMBEIPCZSB-LLVKDONJSA-N 2 2 261.391 -0.437 20 0 CBADLP C[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)CC[C@@H]1[NH3+] ZINC000695042653 790686996 /nfs/dbraw/zinc/68/69/96/790686996.db2.gz OHFFPCSZDUWVKP-MNOVXSKESA-N 2 2 261.391 -0.309 20 0 CBADLP C[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)CC[C@@H]1[NH3+] ZINC000695042653 790687000 /nfs/dbraw/zinc/68/70/00/790687000.db2.gz OHFFPCSZDUWVKP-MNOVXSKESA-N 2 2 261.391 -0.309 20 0 CBADLP C[NH+]1CCC(C(=O)N2CC[N@H+](C)C[C@H]2CO)CC1 ZINC000699434624 790702845 /nfs/dbraw/zinc/70/28/45/790702845.db2.gz PJBSUYJJPXETJL-LBPRGKRZSA-N 2 2 255.362 -0.537 20 0 CBADLP C[NH+]1CCC(C(=O)N2CC[N@@H+](C)C[C@H]2CO)CC1 ZINC000699434624 790702856 /nfs/dbraw/zinc/70/28/56/790702856.db2.gz PJBSUYJJPXETJL-LBPRGKRZSA-N 2 2 255.362 -0.537 20 0 CBADLP CC[C@H]1COC[C@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000699878606 790707835 /nfs/dbraw/zinc/70/78/35/790707835.db2.gz MOCLYEJYHMLFDE-NWDGAFQWSA-N 2 2 255.362 -0.225 20 0 CBADLP C[C@@H]1CC[C@H](N2CC[NH+](CC(=O)N(C)C)CC2)C[NH2+]1 ZINC000700800778 790709457 /nfs/dbraw/zinc/70/94/57/790709457.db2.gz HRKVBSFAVSFFBN-OLZOCXBDSA-N 2 2 268.405 -0.167 20 0 CBADLP CC(C)[C@@H]1C[N@H+](CC(=O)N2CC[NH2+]CC2)CCO1 ZINC000708884822 790737288 /nfs/dbraw/zinc/73/72/88/790737288.db2.gz LMLMHKJRMJAKLE-LBPRGKRZSA-N 2 2 255.362 -0.225 20 0 CBADLP CC(C)[C@@H]1C[N@@H+](CC(=O)N2CC[NH2+]CC2)CCO1 ZINC000708884822 790737296 /nfs/dbraw/zinc/73/72/96/790737296.db2.gz LMLMHKJRMJAKLE-LBPRGKRZSA-N 2 2 255.362 -0.225 20 0 CBADLP C[NH+](C)C[C@@]1(O)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000713628448 790747209 /nfs/dbraw/zinc/74/72/09/790747209.db2.gz HXTMWARYWCTEKI-LBPRGKRZSA-N 2 2 252.318 -0.592 20 0 CBADLP [NH3+]C[C@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@@H]1C(F)(F)F ZINC000720826281 790772421 /nfs/dbraw/zinc/77/24/21/790772421.db2.gz DQVNUQLTGAPYDQ-YUMQZZPRSA-N 2 2 294.277 -0.393 20 0 CBADLP [NH3+]C[C@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1C(F)(F)F ZINC000720826281 790772429 /nfs/dbraw/zinc/77/24/29/790772429.db2.gz DQVNUQLTGAPYDQ-YUMQZZPRSA-N 2 2 294.277 -0.393 20 0 CBADLP C[NH+](C)CCOCCNC(=O)C[C@H]([NH3+])C(F)F ZINC000724743304 790810870 /nfs/dbraw/zinc/81/08/70/790810870.db2.gz ZXCJJLBLYNDALQ-QMMMGPOBSA-N 2 2 253.293 -0.337 20 0 CBADLP C[C@H](O)[C@@H](O)C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000820689816 790830171 /nfs/dbraw/zinc/83/01/71/790830171.db2.gz MFEHYVUMWDZGMR-MJBXVCDLSA-N 2 2 272.389 -0.085 20 0 CBADLP C[C@H](O)[C@@H](O)C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000820689816 790830186 /nfs/dbraw/zinc/83/01/86/790830186.db2.gz MFEHYVUMWDZGMR-MJBXVCDLSA-N 2 2 272.389 -0.085 20 0 CBADLP CC(C)([NH3+])CNS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000821344941 790830909 /nfs/dbraw/zinc/83/09/09/790830909.db2.gz HADMQAQASKHLQC-UHFFFAOYSA-N 2 2 279.406 -0.635 20 0 CBADLP C[C@H](O)C[NH+]1CCN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)CC1 ZINC000821271062 790831530 /nfs/dbraw/zinc/83/15/30/790831530.db2.gz KYVFTJSHIUYQMA-GXTWGEPZSA-N 2 2 297.399 -0.768 20 0 CBADLP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CC[NH+](CCO)C(C)(C)C1 ZINC000828760377 790896963 /nfs/dbraw/zinc/89/69/63/790896963.db2.gz BUCBZTOGEJHYOX-IUODEOHRSA-N 2 2 299.415 -0.643 20 0 CBADLP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CC[NH+](CCO)C(C)(C)C1 ZINC000828760377 790896978 /nfs/dbraw/zinc/89/69/78/790896978.db2.gz BUCBZTOGEJHYOX-IUODEOHRSA-N 2 2 299.415 -0.643 20 0 CBADLP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000828760377 790896992 /nfs/dbraw/zinc/89/69/92/790896992.db2.gz BUCBZTOGEJHYOX-IUODEOHRSA-N 2 2 299.415 -0.643 20 0 CBADLP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000828760377 790897001 /nfs/dbraw/zinc/89/70/01/790897001.db2.gz BUCBZTOGEJHYOX-IUODEOHRSA-N 2 2 299.415 -0.643 20 0 CBADLP CN(CC[N@H+](C)CCO)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000912598306 790915110 /nfs/dbraw/zinc/91/51/10/790915110.db2.gz BZLPOUJSRZCHIW-GHMZBOCLSA-N 2 2 266.345 -0.104 20 0 CBADLP CN(CC[N@@H+](C)CCO)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000912598306 790915113 /nfs/dbraw/zinc/91/51/13/790915113.db2.gz BZLPOUJSRZCHIW-GHMZBOCLSA-N 2 2 266.345 -0.104 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cnon3)C2)C1 ZINC001021928162 790971407 /nfs/dbraw/zinc/97/14/07/790971407.db2.gz NGHFRTMNHBQSFL-UMNHJUIQSA-N 2 2 295.343 -0.863 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cnon3)C2)C1 ZINC001021928162 790971411 /nfs/dbraw/zinc/97/14/11/790971411.db2.gz NGHFRTMNHBQSFL-UMNHJUIQSA-N 2 2 295.343 -0.863 20 0 CBADLP NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001022302431 791005134 /nfs/dbraw/zinc/00/51/34/791005134.db2.gz INHZCYGQIVZZCI-MXWKQRLJSA-N 2 2 291.355 -0.832 20 0 CBADLP COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001077235937 805703896 /nfs/dbraw/zinc/70/38/96/805703896.db2.gz AZPQKLSYBAOUEX-JHJVBQTASA-N 2 2 285.388 -0.722 20 0 CBADLP COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001077235937 805703905 /nfs/dbraw/zinc/70/39/05/805703905.db2.gz AZPQKLSYBAOUEX-JHJVBQTASA-N 2 2 285.388 -0.722 20 0 CBADLP COCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001077235937 805703912 /nfs/dbraw/zinc/70/39/12/805703912.db2.gz AZPQKLSYBAOUEX-JHJVBQTASA-N 2 2 285.388 -0.722 20 0 CBADLP COCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001077235937 805703921 /nfs/dbraw/zinc/70/39/21/805703921.db2.gz AZPQKLSYBAOUEX-JHJVBQTASA-N 2 2 285.388 -0.722 20 0 CBADLP CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001077259341 805706305 /nfs/dbraw/zinc/70/63/05/805706305.db2.gz OIQGCFTZSCBPGK-IJLUTSLNSA-N 2 2 278.356 -0.373 20 0 CBADLP CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001077259341 805706312 /nfs/dbraw/zinc/70/63/12/805706312.db2.gz OIQGCFTZSCBPGK-IJLUTSLNSA-N 2 2 278.356 -0.373 20 0 CBADLP CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001077275087 805709834 /nfs/dbraw/zinc/70/98/34/805709834.db2.gz RFMBEBOJIIERQI-CHWSQXEVSA-N 2 2 296.371 -0.079 20 0 CBADLP CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001077275087 805709841 /nfs/dbraw/zinc/70/98/41/805709841.db2.gz RFMBEBOJIIERQI-CHWSQXEVSA-N 2 2 296.371 -0.079 20 0 CBADLP C[NH+](C)CCOCC(=O)NCC[NH2+]Cc1nncs1 ZINC001147893799 814924609 /nfs/dbraw/zinc/92/46/09/814924609.db2.gz UCDQKQKHPOFBKM-UHFFFAOYSA-N 2 2 287.389 -0.678 20 0 CBADLP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[NH+](CCF)C[C@H]2O)CC[N@@H+]1C ZINC001077571068 805750764 /nfs/dbraw/zinc/75/07/64/805750764.db2.gz HQNLAFGXJKRDSB-WUHRBBMRSA-N 2 2 287.379 -0.153 20 0 CBADLP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[NH+](CCF)C[C@H]2O)CC[N@H+]1C ZINC001077571068 805750770 /nfs/dbraw/zinc/75/07/70/805750770.db2.gz HQNLAFGXJKRDSB-WUHRBBMRSA-N 2 2 287.379 -0.153 20 0 CBADLP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[N@H+](CCF)C[C@H]2O)CC[NH+]1C ZINC001077571068 805750778 /nfs/dbraw/zinc/75/07/78/805750778.db2.gz HQNLAFGXJKRDSB-WUHRBBMRSA-N 2 2 287.379 -0.153 20 0 CBADLP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[N@@H+](CCF)C[C@H]2O)CC[NH+]1C ZINC001077571068 805750783 /nfs/dbraw/zinc/75/07/83/805750783.db2.gz HQNLAFGXJKRDSB-WUHRBBMRSA-N 2 2 287.379 -0.153 20 0 CBADLP CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001077698208 805769991 /nfs/dbraw/zinc/76/99/91/805769991.db2.gz YXXMZIAGLAXIBK-PRULPYPASA-N 2 2 278.356 -0.295 20 0 CBADLP CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001077698208 805769996 /nfs/dbraw/zinc/76/99/96/805769996.db2.gz YXXMZIAGLAXIBK-PRULPYPASA-N 2 2 278.356 -0.295 20 0 CBADLP CC(C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001078007729 805824546 /nfs/dbraw/zinc/82/45/46/805824546.db2.gz YFZJAQUTBHDMRU-VXGBXAGGSA-N 2 2 266.345 -0.468 20 0 CBADLP CC(C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001078007729 805824556 /nfs/dbraw/zinc/82/45/56/805824556.db2.gz YFZJAQUTBHDMRU-VXGBXAGGSA-N 2 2 266.345 -0.468 20 0 CBADLP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CCF)C[C@H]2O)C1 ZINC001078005923 805819830 /nfs/dbraw/zinc/81/98/30/805819830.db2.gz MWHVRSLIKQNIHP-QJPTWQEYSA-N 2 2 273.352 -0.541 20 0 CBADLP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CCF)C[C@H]2O)C1 ZINC001078005923 805819840 /nfs/dbraw/zinc/81/98/40/805819840.db2.gz MWHVRSLIKQNIHP-QJPTWQEYSA-N 2 2 273.352 -0.541 20 0 CBADLP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@H+](CCF)C[C@H]2O)C1 ZINC001078005923 805819850 /nfs/dbraw/zinc/81/98/50/805819850.db2.gz MWHVRSLIKQNIHP-QJPTWQEYSA-N 2 2 273.352 -0.541 20 0 CBADLP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@@H+](CCF)C[C@H]2O)C1 ZINC001078005923 805819860 /nfs/dbraw/zinc/81/98/60/805819860.db2.gz MWHVRSLIKQNIHP-QJPTWQEYSA-N 2 2 273.352 -0.541 20 0 CBADLP CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001078007059 805822281 /nfs/dbraw/zinc/82/22/81/805822281.db2.gz JMFWZZRKXPFCDD-GHMZBOCLSA-N 2 2 252.318 -0.856 20 0 CBADLP CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001078007059 805822290 /nfs/dbraw/zinc/82/22/90/805822290.db2.gz JMFWZZRKXPFCDD-GHMZBOCLSA-N 2 2 252.318 -0.856 20 0 CBADLP CO[C@H](C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001078009779 805822557 /nfs/dbraw/zinc/82/25/57/805822557.db2.gz SAYKIJIIDVZZOT-RAIGVLPGSA-N 2 2 296.371 -0.841 20 0 CBADLP CO[C@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001078009779 805822561 /nfs/dbraw/zinc/82/25/61/805822561.db2.gz SAYKIJIIDVZZOT-RAIGVLPGSA-N 2 2 296.371 -0.841 20 0 CBADLP CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001078083603 805831400 /nfs/dbraw/zinc/83/14/00/805831400.db2.gz XYFRIVKNSLBWFG-VXGBXAGGSA-N 2 2 266.345 -0.168 20 0 CBADLP CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001078083603 805831408 /nfs/dbraw/zinc/83/14/08/805831408.db2.gz XYFRIVKNSLBWFG-VXGBXAGGSA-N 2 2 266.345 -0.168 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1O ZINC001078083536 805830893 /nfs/dbraw/zinc/83/08/93/805830893.db2.gz WKLNJDFBAFKJNY-VXGBXAGGSA-N 2 2 266.345 -0.170 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1O ZINC001078083536 805830901 /nfs/dbraw/zinc/83/09/01/805830901.db2.gz WKLNJDFBAFKJNY-VXGBXAGGSA-N 2 2 266.345 -0.170 20 0 CBADLP C[C@@H](CCNC(=O)CC[NH+](C)C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001078200046 805855170 /nfs/dbraw/zinc/85/51/70/805855170.db2.gz IHKOCAWUWKXRKW-NSHDSACASA-N 2 2 295.387 -0.085 20 0 CBADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOC)C[C@H]1O ZINC001078228668 805858361 /nfs/dbraw/zinc/85/83/61/805858361.db2.gz ZNKUHLHZASTAES-MGPQQGTHSA-N 2 2 299.415 -0.332 20 0 CBADLP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCOC)C[C@H]1O ZINC001078228668 805858371 /nfs/dbraw/zinc/85/83/71/805858371.db2.gz ZNKUHLHZASTAES-MGPQQGTHSA-N 2 2 299.415 -0.332 20 0 CBADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCOC)C[C@H]1O ZINC001078228668 805858375 /nfs/dbraw/zinc/85/83/75/805858375.db2.gz ZNKUHLHZASTAES-MGPQQGTHSA-N 2 2 299.415 -0.332 20 0 CBADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCOC)C[C@H]1O ZINC001078228668 805858384 /nfs/dbraw/zinc/85/83/84/805858384.db2.gz ZNKUHLHZASTAES-MGPQQGTHSA-N 2 2 299.415 -0.332 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@@H+](CCCF)C[C@H]1O ZINC001078270671 805866505 /nfs/dbraw/zinc/86/65/05/805866505.db2.gz IMMDJPGQSJWWHV-GHMZBOCLSA-N 2 2 270.308 -0.596 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@H+](CCCF)C[C@H]1O ZINC001078270671 805866513 /nfs/dbraw/zinc/86/65/13/805866513.db2.gz IMMDJPGQSJWWHV-GHMZBOCLSA-N 2 2 270.308 -0.596 20 0 CBADLP NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C12CCC2 ZINC001078761812 805890805 /nfs/dbraw/zinc/89/08/05/805890805.db2.gz RDSFKDGZWHXYFE-UWVGGRQHSA-N 2 2 291.355 -0.546 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1C[C@H]([NH2+]CCO)C12CCC2 ZINC001078734783 805888958 /nfs/dbraw/zinc/88/89/58/805888958.db2.gz VIKFSVXSPUDXTC-RYUDHWBXSA-N 2 2 278.356 -0.039 20 0 CBADLP NC(=O)C[NH2+][C@@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C12CCC2 ZINC001078829907 805891900 /nfs/dbraw/zinc/89/19/00/805891900.db2.gz NPJBORHLBFBRDY-GHMZBOCLSA-N 2 2 291.355 -0.615 20 0 CBADLP NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C12CCC2 ZINC001078829910 805892024 /nfs/dbraw/zinc/89/20/24/805892024.db2.gz NPJBORHLBFBRDY-WDEREUQCSA-N 2 2 291.355 -0.615 20 0 CBADLP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC001079494895 805920309 /nfs/dbraw/zinc/92/03/09/805920309.db2.gz RCCJBIZQDOKIMM-MXWKQRLJSA-N 2 2 268.361 -0.998 20 0 CBADLP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC001079494895 805920311 /nfs/dbraw/zinc/92/03/11/805920311.db2.gz RCCJBIZQDOKIMM-MXWKQRLJSA-N 2 2 268.361 -0.998 20 0 CBADLP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001079494895 805920314 /nfs/dbraw/zinc/92/03/14/805920314.db2.gz RCCJBIZQDOKIMM-MXWKQRLJSA-N 2 2 268.361 -0.998 20 0 CBADLP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC001079494895 805920316 /nfs/dbraw/zinc/92/03/16/805920316.db2.gz RCCJBIZQDOKIMM-MXWKQRLJSA-N 2 2 268.361 -0.998 20 0 CBADLP CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001079494561 805921347 /nfs/dbraw/zinc/92/13/47/805921347.db2.gz IBXWTRWGMGJKBF-IJLUTSLNSA-N 2 2 282.388 -0.737 20 0 CBADLP CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001079494561 805921352 /nfs/dbraw/zinc/92/13/52/805921352.db2.gz IBXWTRWGMGJKBF-IJLUTSLNSA-N 2 2 282.388 -0.737 20 0 CBADLP CNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001079494561 805921359 /nfs/dbraw/zinc/92/13/59/805921359.db2.gz IBXWTRWGMGJKBF-IJLUTSLNSA-N 2 2 282.388 -0.737 20 0 CBADLP CNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001079494561 805921365 /nfs/dbraw/zinc/92/13/65/805921365.db2.gz IBXWTRWGMGJKBF-IJLUTSLNSA-N 2 2 282.388 -0.737 20 0 CBADLP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)[C@@H]1CCCC[NH+]1C ZINC001079968728 805954453 /nfs/dbraw/zinc/95/44/53/805954453.db2.gz NIECKQCWCPLSBZ-UTUOFQBUSA-N 2 2 282.388 -0.608 20 0 CBADLP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)[C@@H]1CCCC[NH+]1C ZINC001079968728 805954460 /nfs/dbraw/zinc/95/44/60/805954460.db2.gz NIECKQCWCPLSBZ-UTUOFQBUSA-N 2 2 282.388 -0.608 20 0 CBADLP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001079968728 805954467 /nfs/dbraw/zinc/95/44/67/805954467.db2.gz NIECKQCWCPLSBZ-UTUOFQBUSA-N 2 2 282.388 -0.608 20 0 CBADLP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001079968728 805954470 /nfs/dbraw/zinc/95/44/70/805954470.db2.gz NIECKQCWCPLSBZ-UTUOFQBUSA-N 2 2 282.388 -0.608 20 0 CBADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](CC(N)=O)C[C@H]2C)C1 ZINC001080446139 805986320 /nfs/dbraw/zinc/98/63/20/805986320.db2.gz BQCFBEIGPQLDQH-IJLUTSLNSA-N 2 2 282.388 -0.750 20 0 CBADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CC(N)=O)C[C@H]2C)C1 ZINC001080446139 805986327 /nfs/dbraw/zinc/98/63/27/805986327.db2.gz BQCFBEIGPQLDQH-IJLUTSLNSA-N 2 2 282.388 -0.750 20 0 CBADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CC(N)=O)C[C@H]2C)C1 ZINC001080446139 805986333 /nfs/dbraw/zinc/98/63/33/805986333.db2.gz BQCFBEIGPQLDQH-IJLUTSLNSA-N 2 2 282.388 -0.750 20 0 CBADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2C)C1 ZINC001080446139 805986340 /nfs/dbraw/zinc/98/63/40/805986340.db2.gz BQCFBEIGPQLDQH-IJLUTSLNSA-N 2 2 282.388 -0.750 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001080939982 806017523 /nfs/dbraw/zinc/01/75/23/806017523.db2.gz RYJIESVYZHFPBB-UPJWGTAASA-N 2 2 296.415 -0.217 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001080939982 806017536 /nfs/dbraw/zinc/01/75/36/806017536.db2.gz RYJIESVYZHFPBB-UPJWGTAASA-N 2 2 296.415 -0.217 20 0 CBADLP CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001080946983 806018457 /nfs/dbraw/zinc/01/84/57/806018457.db2.gz VAAFXKJQUJCSOR-ZYHUDNBSSA-N 2 2 293.371 -0.626 20 0 CBADLP CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001080946983 806018466 /nfs/dbraw/zinc/01/84/66/806018466.db2.gz VAAFXKJQUJCSOR-ZYHUDNBSSA-N 2 2 293.371 -0.626 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001081038032 806024339 /nfs/dbraw/zinc/02/43/39/806024339.db2.gz KRYMUVCKDVCUPO-UTUOFQBUSA-N 2 2 293.371 -0.417 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001081038032 806024349 /nfs/dbraw/zinc/02/43/49/806024349.db2.gz KRYMUVCKDVCUPO-UTUOFQBUSA-N 2 2 293.371 -0.417 20 0 CBADLP Cc1nonc1C[NH2+]CCNC(=O)C12CC[NH+](CC1)C2 ZINC001147971147 814928276 /nfs/dbraw/zinc/92/82/76/814928276.db2.gz VIGOCBMYNKBUPD-UHFFFAOYSA-N 2 2 279.344 -0.320 20 0 CBADLP CO[C@@H]1C[N@H+](CC2CC2)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001081481545 806087943 /nfs/dbraw/zinc/08/79/43/806087943.db2.gz MMDKVZHVILHITD-MCIONIFRSA-N 2 2 297.399 -0.458 20 0 CBADLP CO[C@@H]1C[N@@H+](CC2CC2)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001081481545 806087954 /nfs/dbraw/zinc/08/79/54/806087954.db2.gz MMDKVZHVILHITD-MCIONIFRSA-N 2 2 297.399 -0.458 20 0 CBADLP CO[C@@H]1C[NH+](CC2CC2)C[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001081481545 806087962 /nfs/dbraw/zinc/08/79/62/806087962.db2.gz MMDKVZHVILHITD-MCIONIFRSA-N 2 2 297.399 -0.458 20 0 CBADLP CO[C@@H]1C[NH+](CC2CC2)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001081481545 806087972 /nfs/dbraw/zinc/08/79/72/806087972.db2.gz MMDKVZHVILHITD-MCIONIFRSA-N 2 2 297.399 -0.458 20 0 CBADLP CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)[C@@H]1CCCC[NH+]1C ZINC001081855499 806127471 /nfs/dbraw/zinc/12/74/71/806127471.db2.gz HNAFVCCTTVNBJT-FRRDWIJNSA-N 2 2 285.388 -0.722 20 0 CBADLP CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)[C@@H]1CCCC[NH+]1C ZINC001081855499 806127475 /nfs/dbraw/zinc/12/74/75/806127475.db2.gz HNAFVCCTTVNBJT-FRRDWIJNSA-N 2 2 285.388 -0.722 20 0 CBADLP CO[C@@H]1C[NH+](CCO)C[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001081855499 806127476 /nfs/dbraw/zinc/12/74/76/806127476.db2.gz HNAFVCCTTVNBJT-FRRDWIJNSA-N 2 2 285.388 -0.722 20 0 CBADLP CO[C@@H]1C[NH+](CCO)C[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001081855499 806127480 /nfs/dbraw/zinc/12/74/80/806127480.db2.gz HNAFVCCTTVNBJT-FRRDWIJNSA-N 2 2 285.388 -0.722 20 0 CBADLP CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001082271484 806162096 /nfs/dbraw/zinc/16/20/96/806162096.db2.gz CKLIDEYBCKDITI-ZIAGYGMSSA-N 2 2 299.415 -0.474 20 0 CBADLP CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001082271484 806162106 /nfs/dbraw/zinc/16/21/06/806162106.db2.gz CKLIDEYBCKDITI-ZIAGYGMSSA-N 2 2 299.415 -0.474 20 0 CBADLP COCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H](OC)C1 ZINC001082371624 806171627 /nfs/dbraw/zinc/17/16/27/806171627.db2.gz SBQHIFMSKPBJTK-CHWSQXEVSA-N 2 2 296.371 -0.347 20 0 CBADLP COCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H](OC)C1 ZINC001082371624 806171632 /nfs/dbraw/zinc/17/16/32/806171632.db2.gz SBQHIFMSKPBJTK-CHWSQXEVSA-N 2 2 296.371 -0.347 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1[NH2+]CCO ZINC001082601429 806188395 /nfs/dbraw/zinc/18/83/95/806188395.db2.gz BDZQWIPFKFEIHO-YRGRVCCFSA-N 2 2 292.383 -0.126 20 0 CBADLP C[C@H]([NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C)C(N)=O ZINC001082492097 806183286 /nfs/dbraw/zinc/18/32/86/806183286.db2.gz FQQRADJLOSZNBS-OUAUKWLOSA-N 2 2 293.371 -0.347 20 0 CBADLP C[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1[NH2+]CCO ZINC001082604987 806187665 /nfs/dbraw/zinc/18/76/65/806187665.db2.gz NDIDKYMGLOUXKA-MBNYWOFBSA-N 2 2 292.383 -0.126 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H]1[NH2+]CCO ZINC001082603860 806187849 /nfs/dbraw/zinc/18/78/49/806187849.db2.gz SQTZLGUKJKKEDD-JHJVBQTASA-N 2 2 292.383 -0.126 20 0 CBADLP C[C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H]1[NH2+]CCO ZINC001082604250 806188079 /nfs/dbraw/zinc/18/80/79/806188079.db2.gz JFSKXCPEPVGCBE-FRRDWIJNSA-N 2 2 292.383 -0.126 20 0 CBADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+][C@@H]1CCNC1=O ZINC001082766706 806193282 /nfs/dbraw/zinc/19/32/82/806193282.db2.gz SUUWUIFXFAPVDW-YUSALJHKSA-N 2 2 291.355 -0.723 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001082884066 806197287 /nfs/dbraw/zinc/19/72/87/806197287.db2.gz AVPLJJLUAMAXQL-UBHAPETDSA-N 2 2 293.371 -0.429 20 0 CBADLP CC[C@H]([NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C)C(N)=O ZINC001082957597 806198230 /nfs/dbraw/zinc/19/82/30/806198230.db2.gz SLSIBDOWGOKGQV-GRYCIOLGSA-N 2 2 293.371 -0.417 20 0 CBADLP C[C@@H]([NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C)C(N)=O ZINC001082957662 806198830 /nfs/dbraw/zinc/19/88/30/806198830.db2.gz WRVVYPUODKLVFO-GMTAPVOTSA-N 2 2 279.344 -0.807 20 0 CBADLP C[C@@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCCC3)[C@H]2C1 ZINC001083275784 806243551 /nfs/dbraw/zinc/24/35/51/806243551.db2.gz WUSCUNOUZWKIQR-HZSPNIEDSA-N 2 2 297.399 -0.625 20 0 CBADLP C[C@@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCCC3)[C@H]2C1 ZINC001083275784 806243564 /nfs/dbraw/zinc/24/35/64/806243564.db2.gz WUSCUNOUZWKIQR-HZSPNIEDSA-N 2 2 297.399 -0.625 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCF)C[C@@H]1O ZINC001083368972 806286777 /nfs/dbraw/zinc/28/67/77/806286777.db2.gz DEJBSBIDXMKMGH-UTUOFQBUSA-N 2 2 273.352 -0.399 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCF)C[C@@H]1O ZINC001083368972 806286790 /nfs/dbraw/zinc/28/67/90/806286790.db2.gz DEJBSBIDXMKMGH-UTUOFQBUSA-N 2 2 273.352 -0.399 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCCF)C[C@@H]1O ZINC001083368972 806286797 /nfs/dbraw/zinc/28/67/97/806286797.db2.gz DEJBSBIDXMKMGH-UTUOFQBUSA-N 2 2 273.352 -0.399 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCCF)C[C@@H]1O ZINC001083368972 806286802 /nfs/dbraw/zinc/28/68/02/806286802.db2.gz DEJBSBIDXMKMGH-UTUOFQBUSA-N 2 2 273.352 -0.399 20 0 CBADLP CCC[N@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001083955155 806469556 /nfs/dbraw/zinc/46/95/56/806469556.db2.gz YSDZKEGVHLKSCA-NEPJUHHUSA-N 2 2 266.345 -0.466 20 0 CBADLP CCC[N@@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001083955155 806469560 /nfs/dbraw/zinc/46/95/60/806469560.db2.gz YSDZKEGVHLKSCA-NEPJUHHUSA-N 2 2 266.345 -0.466 20 0 CBADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCO)C[C@@H]1O ZINC001084091518 806489846 /nfs/dbraw/zinc/48/98/46/806489846.db2.gz AEOBPPWQHRCSQQ-UPJWGTAASA-N 2 2 285.388 -0.986 20 0 CBADLP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCO)C[C@@H]1O ZINC001084091518 806489852 /nfs/dbraw/zinc/48/98/52/806489852.db2.gz AEOBPPWQHRCSQQ-UPJWGTAASA-N 2 2 285.388 -0.986 20 0 CBADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001084091518 806489857 /nfs/dbraw/zinc/48/98/57/806489857.db2.gz AEOBPPWQHRCSQQ-UPJWGTAASA-N 2 2 285.388 -0.986 20 0 CBADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001084091518 806489862 /nfs/dbraw/zinc/48/98/62/806489862.db2.gz AEOBPPWQHRCSQQ-UPJWGTAASA-N 2 2 285.388 -0.986 20 0 CBADLP O=C(CCc1[nH]cc[nH+]1)N1C[C@H]2CC[N@@H+](CCO)C[C@H]21 ZINC001084311638 806509175 /nfs/dbraw/zinc/50/91/75/806509175.db2.gz SJAWYWOOUDCLRM-VXGBXAGGSA-N 2 2 278.356 -0.133 20 0 CBADLP O=C(CCc1[nH]cc[nH+]1)N1C[C@H]2CC[N@H+](CCO)C[C@H]21 ZINC001084311638 806509183 /nfs/dbraw/zinc/50/91/83/806509183.db2.gz SJAWYWOOUDCLRM-VXGBXAGGSA-N 2 2 278.356 -0.133 20 0 CBADLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1[nH]cc[nH+]1)C(N)=O ZINC001085374012 806553392 /nfs/dbraw/zinc/55/33/92/806553392.db2.gz UEUHCCAWBAVWEY-GMTAPVOTSA-N 2 2 293.371 -0.157 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CC[C@H]1CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001085799361 806610770 /nfs/dbraw/zinc/61/07/70/806610770.db2.gz PPDGTRLBZHQBNK-YPMHNXCESA-N 2 2 296.415 -0.265 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CC[C@H]1CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001085799361 806610775 /nfs/dbraw/zinc/61/07/75/806610775.db2.gz PPDGTRLBZHQBNK-YPMHNXCESA-N 2 2 296.415 -0.265 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CC[C@H]1CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001085927699 806623097 /nfs/dbraw/zinc/62/30/97/806623097.db2.gz FDKVXOKFQDEGHZ-NEPJUHHUSA-N 2 2 294.399 -0.511 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CC[C@H]1CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001085927699 806623102 /nfs/dbraw/zinc/62/31/02/806623102.db2.gz FDKVXOKFQDEGHZ-NEPJUHHUSA-N 2 2 294.399 -0.511 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1C[C@@H]([NH2+]CCn2cncn2)C1 ZINC001022775614 798841256 /nfs/dbraw/zinc/84/12/56/798841256.db2.gz AGAAKSMGZASXNK-PHIMTYICSA-N 2 2 289.343 -0.519 20 0 CBADLP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1)C(N)=O ZINC001022775573 798841279 /nfs/dbraw/zinc/84/12/79/798841279.db2.gz YCEPLJMEPNQATR-HLTSFMKQSA-N 2 2 265.317 -0.937 20 0 CBADLP CN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)C1=O ZINC001022889722 798864038 /nfs/dbraw/zinc/86/40/38/798864038.db2.gz XNGPBIMLRJQRQJ-AXFHLTTASA-N 2 2 291.355 -0.580 20 0 CBADLP Cn1cc(C[NH2+][C@H]2C[C@@H](NC(=O)Cn3cc[nH+]c3)C2)nn1 ZINC001023161254 798887891 /nfs/dbraw/zinc/88/78/91/798887891.db2.gz TUSGIOMXNFLBFA-PHIMTYICSA-N 2 2 289.343 -0.551 20 0 CBADLP NC(=O)C[NH2+]C1CCC(NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001026583774 799009799 /nfs/dbraw/zinc/00/97/99/799009799.db2.gz FAHONZLMLFFUSY-UHFFFAOYSA-N 2 2 279.344 -0.546 20 0 CBADLP C[C@@H]([NH2+]C1CCC(NC(=O)Cc2c[nH]c[nH+]2)CC1)C(N)=O ZINC001026567983 799010233 /nfs/dbraw/zinc/01/02/33/799010233.db2.gz NFFYZMOOWBDPLU-KPPDAEKUSA-N 2 2 293.371 -0.157 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H](C[NH2+]Cc2cnon2)C1 ZINC001027091510 799030872 /nfs/dbraw/zinc/03/08/72/799030872.db2.gz OEHLHVVDHWCQNQ-JTQLQIEISA-N 2 2 290.327 -0.027 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H](C[NH2+]Cc2cnon2)C1 ZINC001027091511 799031186 /nfs/dbraw/zinc/03/11/86/799031186.db2.gz OEHLHVVDHWCQNQ-SNVBAGLBSA-N 2 2 290.327 -0.027 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CC(N)=O ZINC001027795026 799079025 /nfs/dbraw/zinc/07/90/25/799079025.db2.gz MYXFSWIFIGYBOL-MNOVXSKESA-N 2 2 268.361 -0.854 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CC(N)=O ZINC001027795026 799079030 /nfs/dbraw/zinc/07/90/30/799079030.db2.gz MYXFSWIFIGYBOL-MNOVXSKESA-N 2 2 268.361 -0.854 20 0 CBADLP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC(N)=O ZINC001027795026 799079036 /nfs/dbraw/zinc/07/90/36/799079036.db2.gz MYXFSWIFIGYBOL-MNOVXSKESA-N 2 2 268.361 -0.854 20 0 CBADLP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CC(N)=O ZINC001027795026 799079043 /nfs/dbraw/zinc/07/90/43/799079043.db2.gz MYXFSWIFIGYBOL-MNOVXSKESA-N 2 2 268.361 -0.854 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CC(N)=O ZINC001027795027 799079838 /nfs/dbraw/zinc/07/98/38/799079838.db2.gz MYXFSWIFIGYBOL-QWRGUYRKSA-N 2 2 268.361 -0.854 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CC(N)=O ZINC001027795027 799079844 /nfs/dbraw/zinc/07/98/44/799079844.db2.gz MYXFSWIFIGYBOL-QWRGUYRKSA-N 2 2 268.361 -0.854 20 0 CBADLP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC(N)=O ZINC001027795027 799079851 /nfs/dbraw/zinc/07/98/51/799079851.db2.gz MYXFSWIFIGYBOL-QWRGUYRKSA-N 2 2 268.361 -0.854 20 0 CBADLP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC(N)=O ZINC001027795027 799079859 /nfs/dbraw/zinc/07/98/59/799079859.db2.gz MYXFSWIFIGYBOL-QWRGUYRKSA-N 2 2 268.361 -0.854 20 0 CBADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1CC[N@H+](CCO)C1 ZINC001028811586 799170666 /nfs/dbraw/zinc/17/06/66/799170666.db2.gz OFDWIFZZEHNFEG-YNEHKIRRSA-N 2 2 292.383 -0.046 20 0 CBADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CCO)C1 ZINC001028811586 799170670 /nfs/dbraw/zinc/17/06/70/799170670.db2.gz OFDWIFZZEHNFEG-YNEHKIRRSA-N 2 2 292.383 -0.046 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC[NH+]([C@@H]2CCNC2=O)C1 ZINC001030032421 799215517 /nfs/dbraw/zinc/21/55/17/799215517.db2.gz JUFRZRILRRKNPU-YNEHKIRRSA-N 2 2 294.399 -0.450 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC[NH+]([C@@H]2CCNC2=O)C1 ZINC001030032421 799215521 /nfs/dbraw/zinc/21/55/21/799215521.db2.gz JUFRZRILRRKNPU-YNEHKIRRSA-N 2 2 294.399 -0.450 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001030032421 799215525 /nfs/dbraw/zinc/21/55/25/799215525.db2.gz JUFRZRILRRKNPU-YNEHKIRRSA-N 2 2 294.399 -0.450 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001030032421 799215531 /nfs/dbraw/zinc/21/55/31/799215531.db2.gz JUFRZRILRRKNPU-YNEHKIRRSA-N 2 2 294.399 -0.450 20 0 CBADLP COC[C@@H](C)[NH+]1CC(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001030160076 799251767 /nfs/dbraw/zinc/25/17/67/799251767.db2.gz AFMNAULKBMFMPN-ZYHUDNBSSA-N 2 2 255.362 -0.084 20 0 CBADLP COC[C@@H](C)[NH+]1CC(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001030160076 799251773 /nfs/dbraw/zinc/25/17/73/799251773.db2.gz AFMNAULKBMFMPN-ZYHUDNBSSA-N 2 2 255.362 -0.084 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)NC2C[NH+](C[C@@H]3CCOC3)C2)C1 ZINC001030180301 799257326 /nfs/dbraw/zinc/25/73/26/799257326.db2.gz NXGWSGPLACCGBA-WCQYABFASA-N 2 2 283.372 -0.846 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)NC2C[NH+](C[C@@H]3CCOC3)C2)C1 ZINC001030180301 799257328 /nfs/dbraw/zinc/25/73/28/799257328.db2.gz NXGWSGPLACCGBA-WCQYABFASA-N 2 2 283.372 -0.846 20 0 CBADLP O=C(NC1C[NH+](CCO)C1)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001030306135 799294160 /nfs/dbraw/zinc/29/41/60/799294160.db2.gz KSOGIOBNWSZNOQ-DGCLKSJQSA-N 2 2 267.373 -0.347 20 0 CBADLP O=C(NC1C[NH+](CCO)C1)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001030306135 799294161 /nfs/dbraw/zinc/29/41/61/799294161.db2.gz KSOGIOBNWSZNOQ-DGCLKSJQSA-N 2 2 267.373 -0.347 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)NC2C[NH+](C[C@H](C)O)C2)CC[N@@H+]1C ZINC001030339432 799299101 /nfs/dbraw/zinc/29/91/01/799299101.db2.gz SSLUSKLNYXMUOA-WCFLWFBJSA-N 2 2 269.389 -0.102 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)NC2C[NH+](C[C@H](C)O)C2)CC[N@H+]1C ZINC001030339432 799299106 /nfs/dbraw/zinc/29/91/06/799299106.db2.gz SSLUSKLNYXMUOA-WCFLWFBJSA-N 2 2 269.389 -0.102 20 0 CBADLP COCC[NH+]1CC(NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001030960050 799418626 /nfs/dbraw/zinc/41/86/26/799418626.db2.gz HSIWXUXRWKXDRZ-PWSUYJOCSA-N 2 2 255.362 -0.369 20 0 CBADLP COCC[NH+]1CC(NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001030960050 799418630 /nfs/dbraw/zinc/41/86/30/799418630.db2.gz HSIWXUXRWKXDRZ-PWSUYJOCSA-N 2 2 255.362 -0.369 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC1C[NH+](CCn2cccn2)C1 ZINC001030964962 799420204 /nfs/dbraw/zinc/42/02/04/799420204.db2.gz XTLHPBPAPUWXGV-TZMCWYRMSA-N 2 2 291.399 -0.119 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC1C[NH+](CCn2cccn2)C1 ZINC001030964962 799420207 /nfs/dbraw/zinc/42/02/07/799420207.db2.gz XTLHPBPAPUWXGV-TZMCWYRMSA-N 2 2 291.399 -0.119 20 0 CBADLP C[N@@H+]1CC[C@H](CC(=O)NC2C[NH+](CCCO)C2)C1 ZINC001031259853 799464646 /nfs/dbraw/zinc/46/46/46/799464646.db2.gz HOMXGAKSZUXMCO-LLVKDONJSA-N 2 2 255.362 -0.489 20 0 CBADLP C[N@H+]1CC[C@H](CC(=O)NC2C[NH+](CCCO)C2)C1 ZINC001031259853 799464654 /nfs/dbraw/zinc/46/46/54/799464654.db2.gz HOMXGAKSZUXMCO-LLVKDONJSA-N 2 2 255.362 -0.489 20 0 CBADLP COCC[NH+]1CC(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001031258588 799465309 /nfs/dbraw/zinc/46/53/09/799465309.db2.gz NBHWVKRBLBIYQL-LLVKDONJSA-N 2 2 255.362 -0.225 20 0 CBADLP COCC[NH+]1CC(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001031258588 799465311 /nfs/dbraw/zinc/46/53/11/799465311.db2.gz NBHWVKRBLBIYQL-LLVKDONJSA-N 2 2 255.362 -0.225 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001031578455 799512337 /nfs/dbraw/zinc/51/23/37/799512337.db2.gz YEEMHGYKBHFEJP-ONGXEEELSA-N 2 2 268.361 -0.998 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001031578455 799512342 /nfs/dbraw/zinc/51/23/42/799512342.db2.gz YEEMHGYKBHFEJP-ONGXEEELSA-N 2 2 268.361 -0.998 20 0 CBADLP CNC(=O)C[NH+]1CC(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001031674759 799532149 /nfs/dbraw/zinc/53/21/49/799532149.db2.gz ONQRYISGZPPJAL-ZDUSSCGKSA-N 2 2 294.399 -0.878 20 0 CBADLP O=C(NCC1C[NH+](CCF)C1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001031688686 799533235 /nfs/dbraw/zinc/53/32/35/799533235.db2.gz IXRGAASRMJFQSI-OLZOCXBDSA-N 2 2 285.363 -0.133 20 0 CBADLP O=C(NCC1C[NH+](CCF)C1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001031688686 799533238 /nfs/dbraw/zinc/53/32/38/799533238.db2.gz IXRGAASRMJFQSI-OLZOCXBDSA-N 2 2 285.363 -0.133 20 0 CBADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CC(=O)NC)C1 ZINC001031712230 799536278 /nfs/dbraw/zinc/53/62/78/799536278.db2.gz SZBQMHDXHUHTDA-CYBMUJFWSA-N 2 2 296.415 -0.345 20 0 CBADLP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CC(=O)NC)C1 ZINC001031712230 799536280 /nfs/dbraw/zinc/53/62/80/799536280.db2.gz SZBQMHDXHUHTDA-CYBMUJFWSA-N 2 2 296.415 -0.345 20 0 CBADLP CC[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001031772469 799542884 /nfs/dbraw/zinc/54/28/84/799542884.db2.gz VQDCUAWCADQLAM-STQMWFEESA-N 2 2 296.415 -0.217 20 0 CBADLP CC[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001031772469 799542887 /nfs/dbraw/zinc/54/28/87/799542887.db2.gz VQDCUAWCADQLAM-STQMWFEESA-N 2 2 296.415 -0.217 20 0 CBADLP C[NH+](C)Cc1cc(C(=O)NCC2C[NH+](CCCO)C2)no1 ZINC001031800282 799545337 /nfs/dbraw/zinc/54/53/37/799545337.db2.gz YXALIKPFCVRKQF-UHFFFAOYSA-N 2 2 296.371 -0.220 20 0 CBADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1C[NH+](CCO)C1 ZINC001031987089 799569237 /nfs/dbraw/zinc/56/92/37/799569237.db2.gz SHXZFQKGWFNDBV-VXGBXAGGSA-N 2 2 278.356 -0.436 20 0 CBADLP CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+](C)CCO1 ZINC001032331906 799614641 /nfs/dbraw/zinc/61/46/41/799614641.db2.gz MIWKOCICBZODGS-SDDRHHMPSA-N 2 2 253.346 -0.378 20 0 CBADLP CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+](C)CCO1 ZINC001032331906 799614642 /nfs/dbraw/zinc/61/46/42/799614642.db2.gz MIWKOCICBZODGS-SDDRHHMPSA-N 2 2 253.346 -0.378 20 0 CBADLP CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001032331906 799614646 /nfs/dbraw/zinc/61/46/46/799614646.db2.gz MIWKOCICBZODGS-SDDRHHMPSA-N 2 2 253.346 -0.378 20 0 CBADLP CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001032331906 799614649 /nfs/dbraw/zinc/61/46/49/799614649.db2.gz MIWKOCICBZODGS-SDDRHHMPSA-N 2 2 253.346 -0.378 20 0 CBADLP COCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001032331529 799614948 /nfs/dbraw/zinc/61/49/48/799614948.db2.gz DETZULJUHYCEDH-AVGNSLFASA-N 2 2 283.372 -0.752 20 0 CBADLP COCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001032331529 799614951 /nfs/dbraw/zinc/61/49/51/799614951.db2.gz DETZULJUHYCEDH-AVGNSLFASA-N 2 2 283.372 -0.752 20 0 CBADLP COCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001032331529 799614956 /nfs/dbraw/zinc/61/49/56/799614956.db2.gz DETZULJUHYCEDH-AVGNSLFASA-N 2 2 283.372 -0.752 20 0 CBADLP COCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001032331529 799614963 /nfs/dbraw/zinc/61/49/63/799614963.db2.gz DETZULJUHYCEDH-AVGNSLFASA-N 2 2 283.372 -0.752 20 0 CBADLP CC[C@H](C(N)=O)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](CC)[NH+](C)C ZINC001032633718 799650896 /nfs/dbraw/zinc/65/08/96/799650896.db2.gz UMLIHKQWJLILRM-RVMXOQNASA-N 2 2 296.415 -0.124 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](CC)[NH+](C)C ZINC001032633718 799650900 /nfs/dbraw/zinc/65/09/00/799650900.db2.gz UMLIHKQWJLILRM-RVMXOQNASA-N 2 2 296.415 -0.124 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H]1CCNC1=O ZINC001032651617 799653133 /nfs/dbraw/zinc/65/31/33/799653133.db2.gz DLSBCCDFBWGRAF-SDDRHHMPSA-N 2 2 289.339 -0.874 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCNC1=O ZINC001032651617 799653137 /nfs/dbraw/zinc/65/31/37/799653137.db2.gz DLSBCCDFBWGRAF-SDDRHHMPSA-N 2 2 289.339 -0.874 20 0 CBADLP COCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1c[nH+]cn1C ZINC001032733337 799661373 /nfs/dbraw/zinc/66/13/73/799661373.db2.gz RFFIVEXQWUAXEM-STQMWFEESA-N 2 2 278.356 -0.106 20 0 CBADLP COCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1c[nH+]cn1C ZINC001032733337 799661379 /nfs/dbraw/zinc/66/13/79/799661379.db2.gz RFFIVEXQWUAXEM-STQMWFEESA-N 2 2 278.356 -0.106 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCO ZINC001032784367 799668524 /nfs/dbraw/zinc/66/85/24/799668524.db2.gz UNDGSURDNNQYHI-RYUDHWBXSA-N 2 2 264.329 -0.531 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCO ZINC001032784367 799668530 /nfs/dbraw/zinc/66/85/30/799668530.db2.gz UNDGSURDNNQYHI-RYUDHWBXSA-N 2 2 264.329 -0.531 20 0 CBADLP C[C@@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1 ZINC001032814902 799670020 /nfs/dbraw/zinc/67/00/20/799670020.db2.gz OOSHCQPEXIKNNA-WOPDTQHZSA-N 2 2 264.329 -0.451 20 0 CBADLP C[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1 ZINC001032814902 799670025 /nfs/dbraw/zinc/67/00/25/799670025.db2.gz OOSHCQPEXIKNNA-WOPDTQHZSA-N 2 2 264.329 -0.451 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001032828389 799673228 /nfs/dbraw/zinc/67/32/28/799673228.db2.gz UPRYPCMWESRQCZ-SDDRHHMPSA-N 2 2 282.388 -0.465 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001032828389 799673230 /nfs/dbraw/zinc/67/32/30/799673230.db2.gz UPRYPCMWESRQCZ-SDDRHHMPSA-N 2 2 282.388 -0.465 20 0 CBADLP CC[C@@H](C(N)=O)[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001032828389 799673235 /nfs/dbraw/zinc/67/32/35/799673235.db2.gz UPRYPCMWESRQCZ-SDDRHHMPSA-N 2 2 282.388 -0.465 20 0 CBADLP CC[C@@H](C(N)=O)[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001032828389 799673237 /nfs/dbraw/zinc/67/32/37/799673237.db2.gz UPRYPCMWESRQCZ-SDDRHHMPSA-N 2 2 282.388 -0.465 20 0 CBADLP CN(C)C(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001032959483 799697348 /nfs/dbraw/zinc/69/73/48/799697348.db2.gz HHIBOIMJNIDWGS-CHWSQXEVSA-N 2 2 296.415 -0.299 20 0 CBADLP CN(C)C(=O)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001032959483 799697351 /nfs/dbraw/zinc/69/73/51/799697351.db2.gz HHIBOIMJNIDWGS-CHWSQXEVSA-N 2 2 296.415 -0.299 20 0 CBADLP CN(C)C(=O)C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001032959483 799697353 /nfs/dbraw/zinc/69/73/53/799697353.db2.gz HHIBOIMJNIDWGS-CHWSQXEVSA-N 2 2 296.415 -0.299 20 0 CBADLP CN(C)C(=O)C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001032959483 799697358 /nfs/dbraw/zinc/69/73/58/799697358.db2.gz HHIBOIMJNIDWGS-CHWSQXEVSA-N 2 2 296.415 -0.299 20 0 CBADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CC(N)=O)C1 ZINC001033073804 799714309 /nfs/dbraw/zinc/71/43/09/799714309.db2.gz SXRJOMJGEJQUNY-STQMWFEESA-N 2 2 296.415 -0.123 20 0 CBADLP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CC(N)=O)C1 ZINC001033073804 799714315 /nfs/dbraw/zinc/71/43/15/799714315.db2.gz SXRJOMJGEJQUNY-STQMWFEESA-N 2 2 296.415 -0.123 20 0 CBADLP CC(C)[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033073804 799714318 /nfs/dbraw/zinc/71/43/18/799714318.db2.gz SXRJOMJGEJQUNY-STQMWFEESA-N 2 2 296.415 -0.123 20 0 CBADLP CC(C)[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033073804 799714323 /nfs/dbraw/zinc/71/43/23/799714323.db2.gz SXRJOMJGEJQUNY-STQMWFEESA-N 2 2 296.415 -0.123 20 0 CBADLP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CC[NH+](CC(N)=O)C2)CC[N@@H+]1C ZINC001033094485 799716028 /nfs/dbraw/zinc/71/60/28/799716028.db2.gz IHMSPSGZTPDGRW-GRYCIOLGSA-N 2 2 282.388 -0.655 20 0 CBADLP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CC[NH+](CC(N)=O)C2)CC[N@H+]1C ZINC001033094485 799716031 /nfs/dbraw/zinc/71/60/31/799716031.db2.gz IHMSPSGZTPDGRW-GRYCIOLGSA-N 2 2 282.388 -0.655 20 0 CBADLP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CC[N@H+](CC(N)=O)C2)CC[NH+]1C ZINC001033094485 799716036 /nfs/dbraw/zinc/71/60/36/799716036.db2.gz IHMSPSGZTPDGRW-GRYCIOLGSA-N 2 2 282.388 -0.655 20 0 CBADLP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CC[N@@H+](CC(N)=O)C2)CC[NH+]1C ZINC001033094485 799716040 /nfs/dbraw/zinc/71/60/40/799716040.db2.gz IHMSPSGZTPDGRW-GRYCIOLGSA-N 2 2 282.388 -0.655 20 0 CBADLP C[C@H]1CCC[N@@H+]1CC(=O)N(C)[C@H]1CC[NH+](CC(N)=O)C1 ZINC001033414654 799751377 /nfs/dbraw/zinc/75/13/77/799751377.db2.gz DEPANJZUBGFPSB-RYUDHWBXSA-N 2 2 282.388 -0.511 20 0 CBADLP C[C@H]1CCC[N@H+]1CC(=O)N(C)[C@H]1CC[NH+](CC(N)=O)C1 ZINC001033414654 799751379 /nfs/dbraw/zinc/75/13/79/799751379.db2.gz DEPANJZUBGFPSB-RYUDHWBXSA-N 2 2 282.388 -0.511 20 0 CBADLP C[C@H]1CCC[NH+]1CC(=O)N(C)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033414654 799751383 /nfs/dbraw/zinc/75/13/83/799751383.db2.gz DEPANJZUBGFPSB-RYUDHWBXSA-N 2 2 282.388 -0.511 20 0 CBADLP C[C@H]1CCC[NH+]1CC(=O)N(C)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033414654 799751386 /nfs/dbraw/zinc/75/13/86/799751386.db2.gz DEPANJZUBGFPSB-RYUDHWBXSA-N 2 2 282.388 -0.511 20 0 CBADLP CN(C(=O)C[NH+]1CCC(C)(C)C1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033418454 799752279 /nfs/dbraw/zinc/75/22/79/799752279.db2.gz BFWFQZQNEXUBFL-GFCCVEGCSA-N 2 2 296.415 -0.264 20 0 CBADLP CN(C(=O)C[NH+]1CCC(C)(C)C1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033418454 799752285 /nfs/dbraw/zinc/75/22/85/799752285.db2.gz BFWFQZQNEXUBFL-GFCCVEGCSA-N 2 2 296.415 -0.264 20 0 CBADLP CN(C(=O)C[N@@H+]1CCC(C)(C)C1)[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001033418454 799752290 /nfs/dbraw/zinc/75/22/90/799752290.db2.gz BFWFQZQNEXUBFL-GFCCVEGCSA-N 2 2 296.415 -0.264 20 0 CBADLP CN(C(=O)C[N@H+]1CCC(C)(C)C1)[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001033418454 799752294 /nfs/dbraw/zinc/75/22/94/799752294.db2.gz BFWFQZQNEXUBFL-GFCCVEGCSA-N 2 2 296.415 -0.264 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001033454655 799755984 /nfs/dbraw/zinc/75/59/84/799755984.db2.gz FJTJPDCYZKMDKE-PWSUYJOCSA-N 2 2 293.371 -0.381 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001033454655 799755988 /nfs/dbraw/zinc/75/59/88/799755988.db2.gz FJTJPDCYZKMDKE-PWSUYJOCSA-N 2 2 293.371 -0.381 20 0 CBADLP COCC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001034148935 799816294 /nfs/dbraw/zinc/81/62/94/799816294.db2.gz QPLSTWFLAVOODC-UONOGXRCSA-N 2 2 299.415 -0.066 20 0 CBADLP COCC[N@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001034148935 799816300 /nfs/dbraw/zinc/81/63/00/799816300.db2.gz QPLSTWFLAVOODC-UONOGXRCSA-N 2 2 299.415 -0.066 20 0 CBADLP COCC[NH+]1CCCC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001034148935 799816306 /nfs/dbraw/zinc/81/63/06/799816306.db2.gz QPLSTWFLAVOODC-UONOGXRCSA-N 2 2 299.415 -0.066 20 0 CBADLP COCC[NH+]1CCCC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001034148935 799816314 /nfs/dbraw/zinc/81/63/14/799816314.db2.gz QPLSTWFLAVOODC-UONOGXRCSA-N 2 2 299.415 -0.066 20 0 CBADLP CNC(=O)C[N@@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001034527029 799843098 /nfs/dbraw/zinc/84/30/98/799843098.db2.gz CDVOZZBTELJRDK-CYBMUJFWSA-N 2 2 296.415 -0.201 20 0 CBADLP CNC(=O)C[N@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001034527029 799843103 /nfs/dbraw/zinc/84/31/03/799843103.db2.gz CDVOZZBTELJRDK-CYBMUJFWSA-N 2 2 296.415 -0.201 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CCCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001034528060 799843274 /nfs/dbraw/zinc/84/32/74/799843274.db2.gz JCBYHSNCMLANQT-OLZOCXBDSA-N 2 2 296.415 -0.073 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CCCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001034528060 799843278 /nfs/dbraw/zinc/84/32/78/799843278.db2.gz JCBYHSNCMLANQT-OLZOCXBDSA-N 2 2 296.415 -0.073 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001034528059 799845001 /nfs/dbraw/zinc/84/50/01/799845001.db2.gz JCBYHSNCMLANQT-CHWSQXEVSA-N 2 2 296.415 -0.073 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001034528059 799845004 /nfs/dbraw/zinc/84/50/04/799845004.db2.gz JCBYHSNCMLANQT-CHWSQXEVSA-N 2 2 296.415 -0.073 20 0 CBADLP NC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001034762931 799856023 /nfs/dbraw/zinc/85/60/23/799856023.db2.gz FAHONZLMLFFUSY-MGCOHNPYSA-N 2 2 279.344 -0.546 20 0 CBADLP C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC1)C(N)=O ZINC001034801189 799858397 /nfs/dbraw/zinc/85/83/97/799858397.db2.gz HCTMTZZSJKTIOC-SRVKXCTJSA-N 2 2 293.371 -0.226 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCCO)CCO1 ZINC001035313065 799886299 /nfs/dbraw/zinc/88/62/99/799886299.db2.gz MHDJAMHXTHMGHK-OLZOCXBDSA-N 2 2 285.388 -0.720 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCCO)CCO1 ZINC001035313065 799886309 /nfs/dbraw/zinc/88/63/09/799886309.db2.gz MHDJAMHXTHMGHK-OLZOCXBDSA-N 2 2 285.388 -0.720 20 0 CBADLP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCCO)CCO1 ZINC001035313065 799886318 /nfs/dbraw/zinc/88/63/18/799886318.db2.gz MHDJAMHXTHMGHK-OLZOCXBDSA-N 2 2 285.388 -0.720 20 0 CBADLP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCCO)CCO1 ZINC001035313065 799886327 /nfs/dbraw/zinc/88/63/27/799886327.db2.gz MHDJAMHXTHMGHK-OLZOCXBDSA-N 2 2 285.388 -0.720 20 0 CBADLP CC(C)[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001035325495 799891907 /nfs/dbraw/zinc/89/19/07/799891907.db2.gz BDPGCHRDWHZFBB-STQMWFEESA-N 2 2 285.388 -0.458 20 0 CBADLP CC(C)[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001035325495 799891915 /nfs/dbraw/zinc/89/19/15/799891915.db2.gz BDPGCHRDWHZFBB-STQMWFEESA-N 2 2 285.388 -0.458 20 0 CBADLP CC(C)[NH+]1CCO[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001035325495 799891923 /nfs/dbraw/zinc/89/19/23/799891923.db2.gz BDPGCHRDWHZFBB-STQMWFEESA-N 2 2 285.388 -0.458 20 0 CBADLP CC(C)[NH+]1CCO[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001035325495 799891932 /nfs/dbraw/zinc/89/19/32/799891932.db2.gz BDPGCHRDWHZFBB-STQMWFEESA-N 2 2 285.388 -0.458 20 0 CBADLP O=C(NC[C@H]1C[N@H+](CCO)CCO1)[C@H]1C[NH+]2CCC1CC2 ZINC001035369955 799909957 /nfs/dbraw/zinc/90/99/57/799909957.db2.gz LCASZYRUJLQBIO-KBPBESRZSA-N 2 2 297.399 -0.863 20 0 CBADLP O=C(NC[C@H]1C[N@@H+](CCO)CCO1)[C@H]1C[NH+]2CCC1CC2 ZINC001035369955 799909959 /nfs/dbraw/zinc/90/99/59/799909959.db2.gz LCASZYRUJLQBIO-KBPBESRZSA-N 2 2 297.399 -0.863 20 0 CBADLP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[NH+](CCCO)CCO1 ZINC001035418207 799916299 /nfs/dbraw/zinc/91/62/99/799916299.db2.gz WXHWQCQCDXRXRH-KBPBESRZSA-N 2 2 299.415 -0.330 20 0 CBADLP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[NH+](CCCO)CCO1 ZINC001035418207 799916303 /nfs/dbraw/zinc/91/63/03/799916303.db2.gz WXHWQCQCDXRXRH-KBPBESRZSA-N 2 2 299.415 -0.330 20 0 CBADLP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1C[N@H+](CCCO)CCO1 ZINC001035418207 799916308 /nfs/dbraw/zinc/91/63/08/799916308.db2.gz WXHWQCQCDXRXRH-KBPBESRZSA-N 2 2 299.415 -0.330 20 0 CBADLP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1C[N@@H+](CCCO)CCO1 ZINC001035418207 799916313 /nfs/dbraw/zinc/91/63/13/799916313.db2.gz WXHWQCQCDXRXRH-KBPBESRZSA-N 2 2 299.415 -0.330 20 0 CBADLP COCC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001035418111 799917209 /nfs/dbraw/zinc/91/72/09/799917209.db2.gz WNOOHFPDALQQFZ-KGLIPLIRSA-N 2 2 299.415 -0.066 20 0 CBADLP COCC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001035418111 799917214 /nfs/dbraw/zinc/91/72/14/799917214.db2.gz WNOOHFPDALQQFZ-KGLIPLIRSA-N 2 2 299.415 -0.066 20 0 CBADLP COCC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001035418111 799917221 /nfs/dbraw/zinc/91/72/21/799917221.db2.gz WNOOHFPDALQQFZ-KGLIPLIRSA-N 2 2 299.415 -0.066 20 0 CBADLP COCC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001035418111 799917227 /nfs/dbraw/zinc/91/72/27/799917227.db2.gz WNOOHFPDALQQFZ-KGLIPLIRSA-N 2 2 299.415 -0.066 20 0 CBADLP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCO)CCO1 ZINC001035418281 799917922 /nfs/dbraw/zinc/91/79/22/799917922.db2.gz WZPBCQQKXVSWMS-OLZOCXBDSA-N 2 2 285.388 -0.720 20 0 CBADLP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCO)CCO1 ZINC001035418281 799917926 /nfs/dbraw/zinc/91/79/26/799917926.db2.gz WZPBCQQKXVSWMS-OLZOCXBDSA-N 2 2 285.388 -0.720 20 0 CBADLP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001035418281 799917929 /nfs/dbraw/zinc/91/79/29/799917929.db2.gz WZPBCQQKXVSWMS-OLZOCXBDSA-N 2 2 285.388 -0.720 20 0 CBADLP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001035418281 799917934 /nfs/dbraw/zinc/91/79/34/799917934.db2.gz WZPBCQQKXVSWMS-OLZOCXBDSA-N 2 2 285.388 -0.720 20 0 CBADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CCO)CCO1 ZINC001035607922 799950172 /nfs/dbraw/zinc/95/01/72/799950172.db2.gz BUAZKPFQNYUPFW-ZIAGYGMSSA-N 2 2 299.415 -0.330 20 0 CBADLP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CCO)CCO1 ZINC001035607922 799950179 /nfs/dbraw/zinc/95/01/79/799950179.db2.gz BUAZKPFQNYUPFW-ZIAGYGMSSA-N 2 2 299.415 -0.330 20 0 CBADLP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001035607922 799950183 /nfs/dbraw/zinc/95/01/83/799950183.db2.gz BUAZKPFQNYUPFW-ZIAGYGMSSA-N 2 2 299.415 -0.330 20 0 CBADLP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001035607922 799950189 /nfs/dbraw/zinc/95/01/89/799950189.db2.gz BUAZKPFQNYUPFW-ZIAGYGMSSA-N 2 2 299.415 -0.330 20 0 CBADLP C[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[C@H]1[NH2+]CC(N)=O ZINC001036014955 799973409 /nfs/dbraw/zinc/97/34/09/799973409.db2.gz LDDUSKCPRGTNRE-WDEREUQCSA-N 2 2 293.371 -0.346 20 0 CBADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@H]1[NH2+]CC(N)=O ZINC001036122403 799977803 /nfs/dbraw/zinc/97/78/03/799977803.db2.gz DMGWBOXKAKQMKI-VXGBXAGGSA-N 2 2 293.371 -0.415 20 0 CBADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@H]1[NH2+]CCO ZINC001036194857 799982820 /nfs/dbraw/zinc/98/28/20/799982820.db2.gz SICKTCAPXPONIB-ZYHUDNBSSA-N 2 2 266.345 -0.229 20 0 CBADLP C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@@H]1[NH2+]CCO ZINC001036241340 799984008 /nfs/dbraw/zinc/98/40/08/799984008.db2.gz RGIZNSXXYKHBNB-QWRGUYRKSA-N 2 2 266.345 -0.229 20 0 CBADLP C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[C@@H]1[NH2+]CCO ZINC001036265135 799985553 /nfs/dbraw/zinc/98/55/53/799985553.db2.gz KOSJEFPBCZSABQ-AAEUAGOBSA-N 2 2 280.372 -0.219 20 0 CBADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@H]1[NH2+]CCO ZINC001036315606 799986374 /nfs/dbraw/zinc/98/63/74/799986374.db2.gz XYHALHLVFFTPHQ-VXGBXAGGSA-N 2 2 266.345 -0.298 20 0 CBADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@@H]1[NH2+]CC(N)=O ZINC001036312000 799987092 /nfs/dbraw/zinc/98/70/92/799987092.db2.gz DYTDBSNGWHQWQW-MNOVXSKESA-N 2 2 279.344 -0.805 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H]2[C@H](CC[N@H+]2CCO)C1 ZINC001036829632 800009102 /nfs/dbraw/zinc/00/91/02/800009102.db2.gz ITZMUMKAJVXJKA-DGCLKSJQSA-N 2 2 278.356 -0.133 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H]2[C@H](CC[N@@H+]2CCO)C1 ZINC001036829632 800009107 /nfs/dbraw/zinc/00/91/07/800009107.db2.gz ITZMUMKAJVXJKA-DGCLKSJQSA-N 2 2 278.356 -0.133 20 0 CBADLP O=C(NC[C@H]1CC[N@H+]1CCO)[C@H]1CCn2c[nH+]cc2C1 ZINC001038420368 800108410 /nfs/dbraw/zinc/10/84/10/800108410.db2.gz YTFDSHBNDZJTMY-NWDGAFQWSA-N 2 2 278.356 -0.372 20 0 CBADLP O=C(NC[C@H]1CC[N@@H+]1CCO)[C@H]1CCn2c[nH+]cc2C1 ZINC001038420368 800108417 /nfs/dbraw/zinc/10/84/17/800108417.db2.gz YTFDSHBNDZJTMY-NWDGAFQWSA-N 2 2 278.356 -0.372 20 0 CBADLP O=C(NC[C@H]1CC[N@H+]1CCO)[C@H]1CCc2c[nH+]cn2C1 ZINC001038429883 800109138 /nfs/dbraw/zinc/10/91/38/800109138.db2.gz KNSONYYYLFVKJM-WCQYABFASA-N 2 2 278.356 -0.372 20 0 CBADLP O=C(NC[C@H]1CC[N@@H+]1CCO)[C@H]1CCc2c[nH+]cn2C1 ZINC001038429883 800109142 /nfs/dbraw/zinc/10/91/42/800109142.db2.gz KNSONYYYLFVKJM-WCQYABFASA-N 2 2 278.356 -0.372 20 0 CBADLP O=C(NC[C@H]1CC[N@H+]1CCO)[C@@H]1CCc2c[nH+]cn2C1 ZINC001038429881 800109189 /nfs/dbraw/zinc/10/91/89/800109189.db2.gz KNSONYYYLFVKJM-DGCLKSJQSA-N 2 2 278.356 -0.372 20 0 CBADLP O=C(NC[C@H]1CC[N@@H+]1CCO)[C@@H]1CCc2c[nH+]cn2C1 ZINC001038429881 800109192 /nfs/dbraw/zinc/10/91/92/800109192.db2.gz KNSONYYYLFVKJM-DGCLKSJQSA-N 2 2 278.356 -0.372 20 0 CBADLP O=C(NC[C@@H]1CC[N@H+]1CCO)[C@@H]1CCn2c[nH+]cc2C1 ZINC001038420365 800110217 /nfs/dbraw/zinc/11/02/17/800110217.db2.gz YTFDSHBNDZJTMY-NEPJUHHUSA-N 2 2 278.356 -0.372 20 0 CBADLP O=C(NC[C@@H]1CC[N@@H+]1CCO)[C@@H]1CCn2c[nH+]cc2C1 ZINC001038420365 800110222 /nfs/dbraw/zinc/11/02/22/800110222.db2.gz YTFDSHBNDZJTMY-NEPJUHHUSA-N 2 2 278.356 -0.372 20 0 CBADLP C[NH+](C)Cc1cc(C(=O)NC[C@H]2CC[N@@H+]2CCCO)no1 ZINC001038443813 800111248 /nfs/dbraw/zinc/11/12/48/800111248.db2.gz XCGCTHWNXIIPTL-LLVKDONJSA-N 2 2 296.371 -0.077 20 0 CBADLP C[NH+](C)Cc1cc(C(=O)NC[C@H]2CC[N@H+]2CCCO)no1 ZINC001038443813 800111254 /nfs/dbraw/zinc/11/12/54/800111254.db2.gz XCGCTHWNXIIPTL-LLVKDONJSA-N 2 2 296.371 -0.077 20 0 CBADLP C[C@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001038442913 800111702 /nfs/dbraw/zinc/11/17/02/800111702.db2.gz SBZHUIHCSMUIAL-WDEREUQCSA-N 2 2 296.371 -0.079 20 0 CBADLP C[C@H](O)C[N@H+]1CC[C@@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001038442913 800111706 /nfs/dbraw/zinc/11/17/06/800111706.db2.gz SBZHUIHCSMUIAL-WDEREUQCSA-N 2 2 296.371 -0.079 20 0 CBADLP CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[NH+]2CCO)C1 ZINC001038627894 801229165 /nfs/dbraw/zinc/22/91/65/801229165.db2.gz MDKGNVBUEBLMSP-OLZOCXBDSA-N 2 2 285.388 -0.722 20 0 CBADLP CC(C)[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[NH+]2CCO)C1 ZINC001038627894 801229170 /nfs/dbraw/zinc/22/91/70/801229170.db2.gz MDKGNVBUEBLMSP-OLZOCXBDSA-N 2 2 285.388 -0.722 20 0 CBADLP CC(C)[NH+]1CCO[C@H](C(=O)NC[C@H]2CC[N@@H+]2CCO)C1 ZINC001038627894 801229173 /nfs/dbraw/zinc/22/91/73/801229173.db2.gz MDKGNVBUEBLMSP-OLZOCXBDSA-N 2 2 285.388 -0.722 20 0 CBADLP CC(C)[NH+]1CCO[C@H](C(=O)NC[C@H]2CC[N@H+]2CCO)C1 ZINC001038627894 801229174 /nfs/dbraw/zinc/22/91/74/801229174.db2.gz MDKGNVBUEBLMSP-OLZOCXBDSA-N 2 2 285.388 -0.722 20 0 CBADLP CN(C)c1cc[nH+]cc1C(=O)NC[C@@H]1CC[N@@H+]1CCO ZINC001038935558 801269316 /nfs/dbraw/zinc/26/93/16/801269316.db2.gz OQAGPCAOMOLQRA-NSHDSACASA-N 2 2 278.356 -0.056 20 0 CBADLP CN(C)c1cc[nH+]cc1C(=O)NC[C@@H]1CC[N@H+]1CCO ZINC001038935558 801269319 /nfs/dbraw/zinc/26/93/19/801269319.db2.gz OQAGPCAOMOLQRA-NSHDSACASA-N 2 2 278.356 -0.056 20 0 CBADLP CN(C)c1cc[nH+]cc1C(=O)NC[C@H]1CC[N@@H+]1CCO ZINC001038935556 801269822 /nfs/dbraw/zinc/26/98/22/801269822.db2.gz OQAGPCAOMOLQRA-LLVKDONJSA-N 2 2 278.356 -0.056 20 0 CBADLP CN(C)c1cc[nH+]cc1C(=O)NC[C@H]1CC[N@H+]1CCO ZINC001038935556 801269825 /nfs/dbraw/zinc/26/98/25/801269825.db2.gz OQAGPCAOMOLQRA-LLVKDONJSA-N 2 2 278.356 -0.056 20 0 CBADLP NC(=O)C[N@@H+]1CC[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC001042246450 801454301 /nfs/dbraw/zinc/45/43/01/801454301.db2.gz FFKDKUWRIKISOA-CMPLNLGQSA-N 2 2 291.355 -0.640 20 0 CBADLP NC(=O)C[N@H+]1CC[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC001042246450 801454304 /nfs/dbraw/zinc/45/43/04/801454304.db2.gz FFKDKUWRIKISOA-CMPLNLGQSA-N 2 2 291.355 -0.640 20 0 CBADLP COCC[NH+]1CC(N(C)C(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001042755911 801515980 /nfs/dbraw/zinc/51/59/80/801515980.db2.gz GUZKYJKPHKSDLG-GXTWGEPZSA-N 2 2 297.399 -0.361 20 0 CBADLP COCC[NH+]1CC(N(C)C(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001042755911 801515987 /nfs/dbraw/zinc/51/59/87/801515987.db2.gz GUZKYJKPHKSDLG-GXTWGEPZSA-N 2 2 297.399 -0.361 20 0 CBADLP COCC[NH+]1CC(N(C)C(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001042755914 801516125 /nfs/dbraw/zinc/51/61/25/801516125.db2.gz GUZKYJKPHKSDLG-TZMCWYRMSA-N 2 2 297.399 -0.361 20 0 CBADLP COCC[NH+]1CC(N(C)C(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001042755914 801516129 /nfs/dbraw/zinc/51/61/29/801516129.db2.gz GUZKYJKPHKSDLG-TZMCWYRMSA-N 2 2 297.399 -0.361 20 0 CBADLP CO[C@H](C)C[NH+]1CC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001043066842 801538136 /nfs/dbraw/zinc/53/81/36/801538136.db2.gz GPUBNACDWLIUMW-YRGRVCCFSA-N 2 2 299.415 -0.117 20 0 CBADLP CO[C@H](C)C[NH+]1CC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001043066842 801538142 /nfs/dbraw/zinc/53/81/42/801538142.db2.gz GPUBNACDWLIUMW-YRGRVCCFSA-N 2 2 299.415 -0.117 20 0 CBADLP C[C@@H](O)C[NH+]1CC(N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001043875799 801600206 /nfs/dbraw/zinc/60/02/06/801600206.db2.gz NFHCVPUFKLRHFA-NWDGAFQWSA-N 2 2 269.389 -0.148 20 0 CBADLP C[C@@H](O)C[NH+]1CC(N(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001043875799 801600209 /nfs/dbraw/zinc/60/02/09/801600209.db2.gz NFHCVPUFKLRHFA-NWDGAFQWSA-N 2 2 269.389 -0.148 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N(C)C1C[NH+](CCO)C1 ZINC001043883551 801600474 /nfs/dbraw/zinc/60/04/74/801600474.db2.gz YBAITYBHOOCHTH-ZYHUDNBSSA-N 2 2 255.362 -0.681 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)C1C[NH+](CCO)C1 ZINC001043883551 801600475 /nfs/dbraw/zinc/60/04/75/801600475.db2.gz YBAITYBHOOCHTH-ZYHUDNBSSA-N 2 2 255.362 -0.681 20 0 CBADLP CN(C(=O)c1cnn(CC[NH+](C)C)c1)C1C[NH+](CCO)C1 ZINC001044034124 801610238 /nfs/dbraw/zinc/61/02/38/801610238.db2.gz FCSWYZIZPOCRQW-UHFFFAOYSA-N 2 2 295.387 -0.807 20 0 CBADLP COCC[NH+]1CC(N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001044296433 801638581 /nfs/dbraw/zinc/63/85/81/801638581.db2.gz ZJLKWXFZCWSOIV-UHFFFAOYSA-N 2 2 266.345 -0.019 20 0 CBADLP C[C@H]1C[C@H]([NH2+]CC(N)=O)CCN1C(=O)CCn1cc[nH+]c1 ZINC001044694150 801663588 /nfs/dbraw/zinc/66/35/88/801663588.db2.gz PBITVXMZKSCCQQ-NWDGAFQWSA-N 2 2 293.371 -0.272 20 0 CBADLP C[C@H]1C[C@H]([NH2+]CC(N)=O)CCN1C(=O)Cn1cc[nH+]c1 ZINC001044878283 801674635 /nfs/dbraw/zinc/67/46/35/801674635.db2.gz LFQLXMPELBUCLN-WDEREUQCSA-N 2 2 279.344 -0.663 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)NC2(C)CC[NH+](CCCO)CC2)C1 ZINC001045397402 801696177 /nfs/dbraw/zinc/69/61/77/801696177.db2.gz ADLZYNMLISPOJO-CYBMUJFWSA-N 2 2 299.415 -0.330 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)NC2(C)CC[NH+](CCCO)CC2)C1 ZINC001045397402 801696180 /nfs/dbraw/zinc/69/61/80/801696180.db2.gz ADLZYNMLISPOJO-CYBMUJFWSA-N 2 2 299.415 -0.330 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001046191050 801736735 /nfs/dbraw/zinc/73/67/35/801736735.db2.gz YNCIXIBBUIOHAI-FZMZJTMJSA-N 2 2 282.388 -0.593 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001046191050 801736737 /nfs/dbraw/zinc/73/67/37/801736737.db2.gz YNCIXIBBUIOHAI-FZMZJTMJSA-N 2 2 282.388 -0.593 20 0 CBADLP CNC(=O)C[NH+]1CC[C@](C)(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001046191050 801736739 /nfs/dbraw/zinc/73/67/39/801736739.db2.gz YNCIXIBBUIOHAI-FZMZJTMJSA-N 2 2 282.388 -0.593 20 0 CBADLP CNC(=O)C[NH+]1CC[C@](C)(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001046191050 801736742 /nfs/dbraw/zinc/73/67/42/801736742.db2.gz YNCIXIBBUIOHAI-FZMZJTMJSA-N 2 2 282.388 -0.593 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@]1(C)CC[NH+](CC(N)=O)C1 ZINC001046196927 801738520 /nfs/dbraw/zinc/73/85/20/801738520.db2.gz HJEIHRRAMOQEAC-MFKMUULPSA-N 2 2 268.361 -0.854 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@]1(C)CC[NH+](CC(N)=O)C1 ZINC001046196927 801738524 /nfs/dbraw/zinc/73/85/24/801738524.db2.gz HJEIHRRAMOQEAC-MFKMUULPSA-N 2 2 268.361 -0.854 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@]1(C)CC[N@H+](CC(N)=O)C1 ZINC001046196927 801738526 /nfs/dbraw/zinc/73/85/26/801738526.db2.gz HJEIHRRAMOQEAC-MFKMUULPSA-N 2 2 268.361 -0.854 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@]1(C)CC[N@@H+](CC(N)=O)C1 ZINC001046196927 801738533 /nfs/dbraw/zinc/73/85/33/801738533.db2.gz HJEIHRRAMOQEAC-MFKMUULPSA-N 2 2 268.361 -0.854 20 0 CBADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@]1(C)CC[NH+](CC(N)=O)C1 ZINC001046315002 801752469 /nfs/dbraw/zinc/75/24/69/801752469.db2.gz HPUZVKDAZNZZRU-IUODEOHRSA-N 2 2 296.415 -0.075 20 0 CBADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@]1(C)CC[NH+](CC(N)=O)C1 ZINC001046315002 801752477 /nfs/dbraw/zinc/75/24/77/801752477.db2.gz HPUZVKDAZNZZRU-IUODEOHRSA-N 2 2 296.415 -0.075 20 0 CBADLP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@]1(C)CC[N@H+](CC(N)=O)C1 ZINC001046315002 801752482 /nfs/dbraw/zinc/75/24/82/801752482.db2.gz HPUZVKDAZNZZRU-IUODEOHRSA-N 2 2 296.415 -0.075 20 0 CBADLP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@]1(C)CC[N@@H+](CC(N)=O)C1 ZINC001046315002 801752486 /nfs/dbraw/zinc/75/24/86/801752486.db2.gz HPUZVKDAZNZZRU-IUODEOHRSA-N 2 2 296.415 -0.075 20 0 CBADLP COCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001047324737 801834876 /nfs/dbraw/zinc/83/48/76/801834876.db2.gz WGPWCZHLAFDRDH-AVGNSLFASA-N 2 2 285.388 -0.770 20 0 CBADLP COCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001047324737 801834880 /nfs/dbraw/zinc/83/48/80/801834880.db2.gz WGPWCZHLAFDRDH-AVGNSLFASA-N 2 2 285.388 -0.770 20 0 CBADLP COCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001047324737 801834884 /nfs/dbraw/zinc/83/48/84/801834884.db2.gz WGPWCZHLAFDRDH-AVGNSLFASA-N 2 2 285.388 -0.770 20 0 CBADLP COCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001047324737 801834896 /nfs/dbraw/zinc/83/48/96/801834896.db2.gz WGPWCZHLAFDRDH-AVGNSLFASA-N 2 2 285.388 -0.770 20 0 CBADLP CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001047333610 801839482 /nfs/dbraw/zinc/83/94/82/801839482.db2.gz LRBYJSSPBRZJOG-AVGNSLFASA-N 2 2 285.388 -0.770 20 0 CBADLP CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001047333610 801839486 /nfs/dbraw/zinc/83/94/86/801839486.db2.gz LRBYJSSPBRZJOG-AVGNSLFASA-N 2 2 285.388 -0.770 20 0 CBADLP CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001047333610 801839491 /nfs/dbraw/zinc/83/94/91/801839491.db2.gz LRBYJSSPBRZJOG-AVGNSLFASA-N 2 2 285.388 -0.770 20 0 CBADLP CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001047333610 801839498 /nfs/dbraw/zinc/83/94/98/801839498.db2.gz LRBYJSSPBRZJOG-AVGNSLFASA-N 2 2 285.388 -0.770 20 0 CBADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1C[N@@H+](CCCF)C[C@@H]1O ZINC001047544487 801899142 /nfs/dbraw/zinc/89/91/42/801899142.db2.gz BKRLIQMVHDQBPE-RYUDHWBXSA-N 2 2 284.335 -0.185 20 0 CBADLP CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001047598025 801906701 /nfs/dbraw/zinc/90/67/01/801906701.db2.gz RAKDSYXGEJLNDR-STQMWFEESA-N 2 2 280.372 -0.124 20 0 CBADLP CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001047598025 801906704 /nfs/dbraw/zinc/90/67/04/801906704.db2.gz RAKDSYXGEJLNDR-STQMWFEESA-N 2 2 280.372 -0.124 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@H]1C[N@H+](C[C@H](C)O)C[C@@H]1O ZINC001047611972 801911912 /nfs/dbraw/zinc/91/19/12/801911912.db2.gz OAKCJYKYIABBDF-XDTLVQLUSA-N 2 2 296.371 -0.855 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@H]1C[N@@H+](C[C@H](C)O)C[C@@H]1O ZINC001047611972 801911917 /nfs/dbraw/zinc/91/19/17/801911917.db2.gz OAKCJYKYIABBDF-XDTLVQLUSA-N 2 2 296.371 -0.855 20 0 CBADLP CO[C@H](C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001047645905 801917544 /nfs/dbraw/zinc/91/75/44/801917544.db2.gz BCTAANVTUGIIBW-AGIUHOORSA-N 2 2 296.371 -0.579 20 0 CBADLP CO[C@H](C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001047645905 801917548 /nfs/dbraw/zinc/91/75/48/801917548.db2.gz BCTAANVTUGIIBW-AGIUHOORSA-N 2 2 296.371 -0.579 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2C1 ZINC001048938849 801982557 /nfs/dbraw/zinc/98/25/57/801982557.db2.gz RLJSBHASHKCUSL-TXEJJXNPSA-N 2 2 291.355 -0.933 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2C1 ZINC001048938849 801982558 /nfs/dbraw/zinc/98/25/58/801982558.db2.gz RLJSBHASHKCUSL-TXEJJXNPSA-N 2 2 291.355 -0.933 20 0 CBADLP C[C@@H](O)C[N@H+]1C[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C1 ZINC001049083895 801997687 /nfs/dbraw/zinc/99/76/87/801997687.db2.gz YHVZXEHEWKDOEA-UTUOFQBUSA-N 2 2 278.356 -0.277 20 0 CBADLP C[C@@H](O)C[N@@H+]1C[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C1 ZINC001049083895 801997688 /nfs/dbraw/zinc/99/76/88/801997688.db2.gz YHVZXEHEWKDOEA-UTUOFQBUSA-N 2 2 278.356 -0.277 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1C[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C1 ZINC001049083126 801998620 /nfs/dbraw/zinc/99/86/20/801998620.db2.gz RMWUHGWZNXDXEC-GARJFASQSA-N 2 2 291.355 -0.784 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C1 ZINC001049083126 801998622 /nfs/dbraw/zinc/99/86/22/801998622.db2.gz RMWUHGWZNXDXEC-GARJFASQSA-N 2 2 291.355 -0.784 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H]3[C@H]2CC[NH+]3CCO)C1 ZINC001049391347 802018129 /nfs/dbraw/zinc/01/81/29/802018129.db2.gz KBCHTNMTEZCDLH-MJBXVCDLSA-N 2 2 297.399 -0.625 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N2CCC[C@H]3[C@H]2CC[NH+]3CCO)C1 ZINC001049391347 802018131 /nfs/dbraw/zinc/01/81/31/802018131.db2.gz KBCHTNMTEZCDLH-MJBXVCDLSA-N 2 2 297.399 -0.625 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3CCO)C1 ZINC001049391347 802018140 /nfs/dbraw/zinc/01/81/40/802018140.db2.gz KBCHTNMTEZCDLH-MJBXVCDLSA-N 2 2 297.399 -0.625 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3CCO)C1 ZINC001049391347 802018148 /nfs/dbraw/zinc/01/81/48/802018148.db2.gz KBCHTNMTEZCDLH-MJBXVCDLSA-N 2 2 297.399 -0.625 20 0 CBADLP CC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001051245243 802130314 /nfs/dbraw/zinc/13/03/14/802130314.db2.gz KGMIFFNQSSLHDJ-NWDGAFQWSA-N 2 2 255.362 -0.225 20 0 CBADLP CC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001051245243 802130319 /nfs/dbraw/zinc/13/03/19/802130319.db2.gz KGMIFFNQSSLHDJ-NWDGAFQWSA-N 2 2 255.362 -0.225 20 0 CBADLP CC[NH+]1CCOC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001051245243 802130323 /nfs/dbraw/zinc/13/03/23/802130323.db2.gz KGMIFFNQSSLHDJ-NWDGAFQWSA-N 2 2 255.362 -0.225 20 0 CBADLP CC[NH+]1CCOC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001051245243 802130325 /nfs/dbraw/zinc/13/03/25/802130325.db2.gz KGMIFFNQSSLHDJ-NWDGAFQWSA-N 2 2 255.362 -0.225 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001052970203 802226373 /nfs/dbraw/zinc/22/63/73/802226373.db2.gz GRDNRFBJMBUHAT-VXGBXAGGSA-N 2 2 293.371 -0.272 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001052970203 802226379 /nfs/dbraw/zinc/22/63/79/802226379.db2.gz GRDNRFBJMBUHAT-VXGBXAGGSA-N 2 2 293.371 -0.272 20 0 CBADLP NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001052972787 802226730 /nfs/dbraw/zinc/22/67/30/802226730.db2.gz WFICDGGNIICDKK-LLVKDONJSA-N 2 2 279.344 -0.661 20 0 CBADLP NC(=O)C[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001052972787 802226737 /nfs/dbraw/zinc/22/67/37/802226737.db2.gz WFICDGGNIICDKK-LLVKDONJSA-N 2 2 279.344 -0.661 20 0 CBADLP CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)O2 ZINC001053585373 802270121 /nfs/dbraw/zinc/27/01/21/802270121.db2.gz FSEMSHDGVSWQAJ-STQMWFEESA-N 2 2 297.399 -0.314 20 0 CBADLP CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)O2 ZINC001053585373 802270126 /nfs/dbraw/zinc/27/01/26/802270126.db2.gz FSEMSHDGVSWQAJ-STQMWFEESA-N 2 2 297.399 -0.314 20 0 CBADLP C[NH+]1CCC(C(=O)N[C@@H]2COC3(C[NH+](CCO)C3)C2)CC1 ZINC001053912920 802311010 /nfs/dbraw/zinc/31/10/10/802311010.db2.gz JRQXMWCXIXZMBD-ZDUSSCGKSA-N 2 2 297.399 -0.720 20 0 CBADLP COCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)CO2 ZINC001054007357 802323109 /nfs/dbraw/zinc/32/31/09/802323109.db2.gz CTNFNQVXIMPQAI-OLZOCXBDSA-N 2 2 297.399 -0.456 20 0 CBADLP COCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)CO2 ZINC001054007357 802323112 /nfs/dbraw/zinc/32/31/12/802323112.db2.gz CTNFNQVXIMPQAI-OLZOCXBDSA-N 2 2 297.399 -0.456 20 0 CBADLP C[N@@H+]1CC[C@H](C(=O)N[C@H]2COC3(C[NH+](CCCO)C3)C2)C1 ZINC001054008355 802324548 /nfs/dbraw/zinc/32/45/48/802324548.db2.gz XDGDCRXGMCTFFM-QWHCGFSZSA-N 2 2 297.399 -0.720 20 0 CBADLP C[N@H+]1CC[C@H](C(=O)N[C@H]2COC3(C[NH+](CCCO)C3)C2)C1 ZINC001054008355 802324557 /nfs/dbraw/zinc/32/45/57/802324557.db2.gz XDGDCRXGMCTFFM-QWHCGFSZSA-N 2 2 297.399 -0.720 20 0 CBADLP C[C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1[NH2+]CC(N)=O ZINC001054952369 802379742 /nfs/dbraw/zinc/37/97/42/802379742.db2.gz SHLQCWMFLQTRBB-QWRGUYRKSA-N 2 2 279.344 -0.805 20 0 CBADLP [NH3+]C[C@H]1C[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@@H]1C(F)(F)F ZINC001119618771 812835839 /nfs/dbraw/zinc/83/58/39/812835839.db2.gz RGRCZFKPDGKIFH-WYCDGMCDSA-N 3 2 267.295 -0.094 20 0 CBADLP [NH3+]C[C@H]1C[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@@H]1C(F)(F)F ZINC001119618771 812835850 /nfs/dbraw/zinc/83/58/50/812835850.db2.gz RGRCZFKPDGKIFH-WYCDGMCDSA-N 3 2 267.295 -0.094 20 0 CBADLP C[NH2+]C1CC(C(=O)N[C@H](C)[C@H]2CN(C)CC[N@@H+]2C)C1 ZINC001122449042 813167373 /nfs/dbraw/zinc/16/73/73/813167373.db2.gz RGVDADCHSCQIEQ-IKWCTNDRSA-N 2 2 268.405 -0.265 20 0 CBADLP C[NH2+]C1CC(C(=O)N[C@H](C)[C@H]2CN(C)CC[N@H+]2C)C1 ZINC001122449042 813167379 /nfs/dbraw/zinc/16/73/79/813167379.db2.gz RGVDADCHSCQIEQ-IKWCTNDRSA-N 2 2 268.405 -0.265 20 0 CBADLP CN(C)c1noc(C[NH2+]CCNC(=O)CC[NH+](C)C)n1 ZINC001133294271 814236966 /nfs/dbraw/zinc/23/69/66/814236966.db2.gz AGCKABPZYIPMNG-UHFFFAOYSA-N 2 2 284.364 -0.707 20 0 CBADLP Cc1nonc1C[NH2+]CCNC(=O)CC[NH+](C)C ZINC001133294337 814237465 /nfs/dbraw/zinc/23/74/65/814237465.db2.gz DDCUNJBBNNNPMY-UHFFFAOYSA-N 2 2 255.322 -0.464 20 0 CBADLP C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C[NH2+]CCO ZINC001133353778 814246511 /nfs/dbraw/zinc/24/65/11/814246511.db2.gz HIKVZPUUGIGHBD-OLZOCXBDSA-N 2 2 280.372 -0.050 20 0 CBADLP Cc1nonc1C[NH2+]CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001133842253 814305049 /nfs/dbraw/zinc/30/50/49/814305049.db2.gz ISTWSATVNFTODR-SNVBAGLBSA-N 2 2 281.360 -0.074 20 0 CBADLP Cc1nonc1C[NH2+]CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001133842253 814305053 /nfs/dbraw/zinc/30/50/53/814305053.db2.gz ISTWSATVNFTODR-SNVBAGLBSA-N 2 2 281.360 -0.074 20 0 CBADLP CC[C@@H](C(=O)NCC[NH2+]Cc1nonc1C)[NH+](C)C ZINC001133982963 814332845 /nfs/dbraw/zinc/33/28/45/814332845.db2.gz QJYSCZIYTQWVPL-NSHDSACASA-N 2 2 269.349 -0.076 20 0 CBADLP CCC[N@H+](C)CC(=O)NCC[NH2+]Cc1nnc(C)o1 ZINC001148638716 814955047 /nfs/dbraw/zinc/95/50/47/814955047.db2.gz OMWGTFHBHQOINZ-UHFFFAOYSA-N 2 2 269.349 -0.074 20 0 CBADLP CCC[N@@H+](C)CC(=O)NCC[NH2+]Cc1nnc(C)o1 ZINC001148638716 814955051 /nfs/dbraw/zinc/95/50/51/814955051.db2.gz OMWGTFHBHQOINZ-UHFFFAOYSA-N 2 2 269.349 -0.074 20 0 CBADLP CCC[N@H+](C)CC(=O)NCC[NH2+]Cc1nnc(C)[nH]1 ZINC001148643371 814955298 /nfs/dbraw/zinc/95/52/98/814955298.db2.gz XFPUSYDYSDOIAP-UHFFFAOYSA-N 2 2 268.365 -0.339 20 0 CBADLP CCC[N@@H+](C)CC(=O)NCC[NH2+]Cc1nnc(C)[nH]1 ZINC001148643371 814955302 /nfs/dbraw/zinc/95/53/02/814955302.db2.gz XFPUSYDYSDOIAP-UHFFFAOYSA-N 2 2 268.365 -0.339 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+]CCN1CCCC1=O ZINC001149130040 814971396 /nfs/dbraw/zinc/97/13/96/814971396.db2.gz JOZYRZDDODTTQQ-UHFFFAOYSA-N 2 2 293.371 -0.411 20 0 CBADLP C[C@H](C[NH2+]CC(=O)N(C)C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001321662036 803798021 /nfs/dbraw/zinc/79/80/21/803798021.db2.gz SOTPICDMGRYAOW-SECBINFHSA-N 2 2 267.333 -0.865 20 0 CBADLP C[C@@H](C[NH2+]CC(N)=O)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001321878391 803832112 /nfs/dbraw/zinc/83/21/12/803832112.db2.gz NDLHGRJGSDGJSF-DJLDLDEBSA-N 2 2 265.317 -0.907 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+]CC(=O)N(C)C ZINC001149123724 814971562 /nfs/dbraw/zinc/97/15/62/814971562.db2.gz NSGPXMRVUHJBPA-UHFFFAOYSA-N 2 2 267.333 -0.945 20 0 CBADLP CCN(C)C(=O)C[NH2+]CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001149129493 814970735 /nfs/dbraw/zinc/97/07/35/814970735.db2.gz DPAQEIAOONBGCU-UHFFFAOYSA-N 2 2 281.360 -0.555 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+][C@H]1CCCN(C)C1=O ZINC001149122782 814970948 /nfs/dbraw/zinc/97/09/48/814970948.db2.gz BFXWOFLJCUFNAE-NSHDSACASA-N 2 2 293.371 -0.413 20 0 CBADLP C[C@@H](C[NH2+]CCO)NC(=O)CCc1c[nH+]cn1C ZINC001322059417 803855947 /nfs/dbraw/zinc/85/59/47/803855947.db2.gz GOMXDGKDGYXSFW-JTQLQIEISA-N 2 2 254.334 -0.561 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+][C@@H]1CCN(C)C1=O ZINC001149131149 814971747 /nfs/dbraw/zinc/97/17/47/814971747.db2.gz WFUAYWNZOSJIBL-SNVBAGLBSA-N 2 2 279.344 -0.803 20 0 CBADLP C[C@H](C[N@H+](C)CCCO)NC(=O)Cn1cc[nH+]c1 ZINC001322308717 803888116 /nfs/dbraw/zinc/88/81/16/803888116.db2.gz YXRJOMSCPTWULQ-LLVKDONJSA-N 2 2 254.334 -0.298 20 0 CBADLP C[C@H](C[N@@H+](C)CCCO)NC(=O)Cn1cc[nH+]c1 ZINC001322308717 803888124 /nfs/dbraw/zinc/88/81/24/803888124.db2.gz YXRJOMSCPTWULQ-LLVKDONJSA-N 2 2 254.334 -0.298 20 0 CBADLP CN(CCC[NH2+]CCO)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001322698748 803929106 /nfs/dbraw/zinc/92/91/06/803929106.db2.gz BEWNDBULVVKIPG-VXGBXAGGSA-N 2 2 280.372 -0.046 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCC3)C2)CC1 ZINC001322992583 803964377 /nfs/dbraw/zinc/96/43/77/803964377.db2.gz IHEDODVEBDHDFV-LBPRGKRZSA-N 2 2 294.399 -0.497 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCC3)C2)CC1 ZINC001322992583 803964386 /nfs/dbraw/zinc/96/43/86/803964386.db2.gz IHEDODVEBDHDFV-LBPRGKRZSA-N 2 2 294.399 -0.497 20 0 CBADLP CCOCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001323355612 804015784 /nfs/dbraw/zinc/01/57/84/804015784.db2.gz FEGCGZUXPLHJAB-UONOGXRCSA-N 2 2 299.415 -0.066 20 0 CBADLP CCOCC[N@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001323355612 804015793 /nfs/dbraw/zinc/01/57/93/804015793.db2.gz FEGCGZUXPLHJAB-UONOGXRCSA-N 2 2 299.415 -0.066 20 0 CBADLP CCOCC[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001323355612 804015802 /nfs/dbraw/zinc/01/58/02/804015802.db2.gz FEGCGZUXPLHJAB-UONOGXRCSA-N 2 2 299.415 -0.066 20 0 CBADLP CCOCC[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001323355612 804015812 /nfs/dbraw/zinc/01/58/12/804015812.db2.gz FEGCGZUXPLHJAB-UONOGXRCSA-N 2 2 299.415 -0.066 20 0 CBADLP C[C@@H](C(=O)NCC[NH+]1CC=CC1)N1CC[NH+](C)CC1 ZINC001323484394 804031895 /nfs/dbraw/zinc/03/18/95/804031895.db2.gz YNHQGZISPJBZIE-ZDUSSCGKSA-N 2 2 266.389 -0.390 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)NCC[NH2+]CCn1cncn1 ZINC001149570866 815000467 /nfs/dbraw/zinc/00/04/67/815000467.db2.gz CWYVYMUZUFZFNJ-UHFFFAOYSA-N 2 2 291.359 -0.650 20 0 CBADLP C[NH+](C)C[C@](C)(O)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001324988241 804218627 /nfs/dbraw/zinc/21/86/27/804218627.db2.gz NJUWYYYJPDAQBH-GFCCVEGCSA-N 2 2 254.334 -0.229 20 0 CBADLP C[NH+](C)C[C@](C)(O)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001324988241 804218632 /nfs/dbraw/zinc/21/86/32/804218632.db2.gz NJUWYYYJPDAQBH-GFCCVEGCSA-N 2 2 254.334 -0.229 20 0 CBADLP CCOCC[N@@H+]1CC[C@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001325167830 804252415 /nfs/dbraw/zinc/25/24/15/804252415.db2.gz CLZDQGGQTLAURP-AWEZNQCLSA-N 2 2 296.371 -0.527 20 0 CBADLP CCOCC[N@H+]1CC[C@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001325167830 804252423 /nfs/dbraw/zinc/25/24/23/804252423.db2.gz CLZDQGGQTLAURP-AWEZNQCLSA-N 2 2 296.371 -0.527 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)NC[C@](C)(O)C[NH+](C)C ZINC001325278871 804269595 /nfs/dbraw/zinc/26/95/95/804269595.db2.gz MSWKCDFFYCWXNN-ZDUSSCGKSA-N 2 2 268.361 -0.219 20 0 CBADLP CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001325662955 804303304 /nfs/dbraw/zinc/30/33/04/804303304.db2.gz OIOLDZZLQWGDSH-SNVBAGLBSA-N 2 2 268.361 -0.983 20 0 CBADLP CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001325662955 804303314 /nfs/dbraw/zinc/30/33/14/804303314.db2.gz OIOLDZZLQWGDSH-SNVBAGLBSA-N 2 2 268.361 -0.983 20 0 CBADLP COCC[N@@H+]1CCCO[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001150371467 815026129 /nfs/dbraw/zinc/02/61/29/815026129.db2.gz IPLZNGGVFYIYTO-CYBMUJFWSA-N 2 2 296.371 -0.194 20 0 CBADLP COCC[N@H+]1CCCO[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001150371467 815026135 /nfs/dbraw/zinc/02/61/35/815026135.db2.gz IPLZNGGVFYIYTO-CYBMUJFWSA-N 2 2 296.371 -0.194 20 0 CBADLP Cc1nnc(C[NH2+]CCNC(=O)[C@H]2CC[N@@H+](C)C2)o1 ZINC001151049814 815053948 /nfs/dbraw/zinc/05/39/48/815053948.db2.gz ZLBPUUVMJAAHKE-JTQLQIEISA-N 2 2 267.333 -0.464 20 0 CBADLP CC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001070094793 805170976 /nfs/dbraw/zinc/17/09/76/805170976.db2.gz DBITXQLMWGJVEG-OLZOCXBDSA-N 2 2 292.387 -0.265 20 0 CBADLP CC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001070094793 805170985 /nfs/dbraw/zinc/17/09/85/805170985.db2.gz DBITXQLMWGJVEG-OLZOCXBDSA-N 2 2 292.387 -0.265 20 0 CBADLP Cc1nnc(C[NH2+]CCNC(=O)[C@H]2CC[N@H+](C)C2)o1 ZINC001151049814 815053953 /nfs/dbraw/zinc/05/39/53/815053953.db2.gz ZLBPUUVMJAAHKE-JTQLQIEISA-N 2 2 267.333 -0.464 20 0 CBADLP C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]Cc2cnon2)C1 ZINC001151064379 815055130 /nfs/dbraw/zinc/05/51/30/815055130.db2.gz ATPSTQANDXABTJ-SECBINFHSA-N 2 2 253.306 -0.773 20 0 CBADLP C[N@H+]1CC[C@@H](C(=O)NCC[NH2+]Cc2cnon2)C1 ZINC001151064379 815055137 /nfs/dbraw/zinc/05/51/37/815055137.db2.gz ATPSTQANDXABTJ-SECBINFHSA-N 2 2 253.306 -0.773 20 0 CBADLP O=C(C[NH+]1CCCC1)NCC[NH2+]Cc1cnon1 ZINC001151101529 815061447 /nfs/dbraw/zinc/06/14/47/815061447.db2.gz QZFARYLBHYDPFA-UHFFFAOYSA-N 2 2 253.306 -0.629 20 0 CBADLP C[C@@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C[N@@H+]1CC(N)=O ZINC001071796950 805266595 /nfs/dbraw/zinc/26/65/95/805266595.db2.gz ZVYOFZLYGWKRTE-YPMHNXCESA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C[N@H+]1CC(N)=O ZINC001071796950 805266601 /nfs/dbraw/zinc/26/66/01/805266601.db2.gz ZVYOFZLYGWKRTE-YPMHNXCESA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@H]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C[N@@H+]1CCO ZINC001071994867 805279993 /nfs/dbraw/zinc/27/99/93/805279993.db2.gz HRXUVAPKUPOLJK-NWDGAFQWSA-N 2 2 280.372 -0.076 20 0 CBADLP C[C@H]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C[N@H+]1CCO ZINC001071994867 805280002 /nfs/dbraw/zinc/28/00/02/805280002.db2.gz HRXUVAPKUPOLJK-NWDGAFQWSA-N 2 2 280.372 -0.076 20 0 CBADLP C[C@@H]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C[N@@H+]1CC(N)=O ZINC001071994756 805280648 /nfs/dbraw/zinc/28/06/48/805280648.db2.gz HCKRDWQRIPNCGK-NEPJUHHUSA-N 2 2 294.399 -0.463 20 0 CBADLP C[C@@H]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C[N@H+]1CC(N)=O ZINC001071994756 805280655 /nfs/dbraw/zinc/28/06/55/805280655.db2.gz HCKRDWQRIPNCGK-NEPJUHHUSA-N 2 2 294.399 -0.463 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]Cc1ccon1 ZINC001151156407 815064847 /nfs/dbraw/zinc/06/48/47/815064847.db2.gz BQACBODDEXCCFM-LBPRGKRZSA-N 2 2 296.371 -0.151 20 0 CBADLP C[C@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001074693631 805466429 /nfs/dbraw/zinc/46/64/29/805466429.db2.gz KUKJRJNLHHSWNH-ZDCRXTMVSA-N 2 2 291.355 -0.423 20 0 CBADLP C[C@H]1[C@@H]([NH2+][C@@H]2CCNC2=O)CCN1C(=O)Cn1cc[nH+]c1 ZINC001075144857 805484559 /nfs/dbraw/zinc/48/45/59/805484559.db2.gz WECDTVIQPFFUIS-SDDRHHMPSA-N 2 2 291.355 -0.649 20 0 CBADLP CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001075613464 805515862 /nfs/dbraw/zinc/51/58/62/805515862.db2.gz DSAJOPFIJXSXJM-YNEHKIRRSA-N 2 2 294.399 -0.641 20 0 CBADLP CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001075613464 805515865 /nfs/dbraw/zinc/51/58/65/805515865.db2.gz DSAJOPFIJXSXJM-YNEHKIRRSA-N 2 2 294.399 -0.641 20 0 CBADLP CNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001075613464 805515871 /nfs/dbraw/zinc/51/58/71/805515871.db2.gz DSAJOPFIJXSXJM-YNEHKIRRSA-N 2 2 294.399 -0.641 20 0 CBADLP CNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001075613464 805515874 /nfs/dbraw/zinc/51/58/74/805515874.db2.gz DSAJOPFIJXSXJM-YNEHKIRRSA-N 2 2 294.399 -0.641 20 0 CBADLP CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](CC(N)=O)C[C@H]21)[NH+](C)C ZINC001076253388 805563322 /nfs/dbraw/zinc/56/33/22/805563322.db2.gz ILHZYLFVPAGZBF-SDDRHHMPSA-N 2 2 282.388 -0.655 20 0 CBADLP CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](CC(N)=O)C[C@H]21)[NH+](C)C ZINC001076253388 805563325 /nfs/dbraw/zinc/56/33/25/805563325.db2.gz ILHZYLFVPAGZBF-SDDRHHMPSA-N 2 2 282.388 -0.655 20 0 CBADLP C[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001076295633 805566419 /nfs/dbraw/zinc/56/64/19/805566419.db2.gz PQADHDSYHXTWME-NTZNESFSSA-N 2 2 278.356 -0.134 20 0 CBADLP C[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001076295633 805566426 /nfs/dbraw/zinc/56/64/26/805566426.db2.gz PQADHDSYHXTWME-NTZNESFSSA-N 2 2 278.356 -0.134 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2nncs2)C1 ZINC001151740466 815091142 /nfs/dbraw/zinc/09/11/42/815091142.db2.gz UDHNLLQKFFQHCG-SNVBAGLBSA-N 2 2 299.400 -0.535 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2nncs2)C1 ZINC001151740466 815091149 /nfs/dbraw/zinc/09/11/49/815091149.db2.gz UDHNLLQKFFQHCG-SNVBAGLBSA-N 2 2 299.400 -0.535 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2nccn2C)C1 ZINC001151749090 815092239 /nfs/dbraw/zinc/09/22/39/815092239.db2.gz OASVCEJENZECFF-LBPRGKRZSA-N 2 2 295.387 -0.653 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2nccn2C)C1 ZINC001151749090 815092247 /nfs/dbraw/zinc/09/22/47/815092247.db2.gz OASVCEJENZECFF-LBPRGKRZSA-N 2 2 295.387 -0.653 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NCC[NH2+]CCS(C)(=O)=O ZINC001152439914 815121420 /nfs/dbraw/zinc/12/14/20/815121420.db2.gz VFUDGVGZWYCQTK-UHFFFAOYSA-N 2 2 279.406 -0.923 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NCC[NH2+]CCS(C)(=O)=O ZINC001152439914 815121422 /nfs/dbraw/zinc/12/14/22/815121422.db2.gz VFUDGVGZWYCQTK-UHFFFAOYSA-N 2 2 279.406 -0.923 20 0 CBADLP C[C@H]([NH2+]CCNC(=O)[C@H](c1cccnc1)[NH+](C)C)C(N)=O ZINC001152619052 815131917 /nfs/dbraw/zinc/13/19/17/815131917.db2.gz VINVENNCYJONCA-JQWIXIFHSA-N 2 2 293.371 -0.736 20 0 CBADLP CNC(=O)C[NH2+]CCNC(=O)[C@@H](c1cccnc1)[NH+](C)C ZINC001152604206 815131981 /nfs/dbraw/zinc/13/19/81/815131981.db2.gz XRKYDALJVSUMPL-CYBMUJFWSA-N 2 2 293.371 -0.864 20 0 CBADLP C[C@@H]([NH2+]CCNC(=O)[C@@H](c1cccnc1)[NH+](C)C)C(N)=O ZINC001152619054 815131831 /nfs/dbraw/zinc/13/18/31/815131831.db2.gz VINVENNCYJONCA-ZYHUDNBSSA-N 2 2 293.371 -0.736 20 0 CBADLP O=C(CCCn1cc[nH+]c1)NCC[NH2+][C@@H]1CCNC1=O ZINC001153345071 815159963 /nfs/dbraw/zinc/15/99/63/815159963.db2.gz OHAORZXJJJDJAO-LLVKDONJSA-N 2 2 279.344 -0.742 20 0 CBADLP Cn1ccnc1C[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153487560 815163193 /nfs/dbraw/zinc/16/31/93/815163193.db2.gz DKUMGOKPYRQVMG-UHFFFAOYSA-N 2 2 262.317 -0.477 20 0 CBADLP O=C(Cn1cc[nH+]c1)NCC[NH2+]CCCO[C@H]1CCOC1 ZINC001153500315 815164065 /nfs/dbraw/zinc/16/40/65/815164065.db2.gz JRXYQQTZJZYNTI-ZDUSSCGKSA-N 2 2 296.371 -0.216 20 0 CBADLP Cc1nccnc1C[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153495102 815164843 /nfs/dbraw/zinc/16/48/43/815164843.db2.gz ABOQDVDHFDLRAS-UHFFFAOYSA-N 2 2 274.328 -0.112 20 0 CBADLP CCC[C@H](C)NC(=O)C[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153500092 815164926 /nfs/dbraw/zinc/16/49/26/815164926.db2.gz FJLDUUIQTZGGBH-LBPRGKRZSA-N 2 2 295.387 -0.106 20 0 CBADLP Cc1nc(C)n(CC[NH2+]CCNC(=O)Cn2cc[nH+]c2)n1 ZINC001153495275 815165136 /nfs/dbraw/zinc/16/51/36/815165136.db2.gz GQTVRSUWAZIRCV-UHFFFAOYSA-N 2 2 291.359 -0.503 20 0 CBADLP CC[N@@H+]1CC[C@H]1C(=O)N1C[C@@H]2CCC[NH+]2C[C@@H]1CO ZINC001153780384 815176614 /nfs/dbraw/zinc/17/66/14/815176614.db2.gz JKHXIRZMMHWNHN-XQQFMLRXSA-N 2 2 267.373 -0.252 20 0 CBADLP CC[N@H+]1CC[C@H]1C(=O)N1C[C@@H]2CCC[NH+]2C[C@@H]1CO ZINC001153780384 815176615 /nfs/dbraw/zinc/17/66/15/815176615.db2.gz JKHXIRZMMHWNHN-XQQFMLRXSA-N 2 2 267.373 -0.252 20 0 CBADLP CC[NH+]1CC[C@H]1C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC001153780384 815176617 /nfs/dbraw/zinc/17/66/17/815176617.db2.gz JKHXIRZMMHWNHN-XQQFMLRXSA-N 2 2 267.373 -0.252 20 0 CBADLP CC[NH+]1CC[C@H]1C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC001153780384 815176618 /nfs/dbraw/zinc/17/66/18/815176618.db2.gz JKHXIRZMMHWNHN-XQQFMLRXSA-N 2 2 267.373 -0.252 20 0 CBADLP C[N@@H+]1CCO[C@H](CNc2ncnc3c2CC[NH2+]CC3)C1 ZINC001155194471 815268703 /nfs/dbraw/zinc/26/87/03/815268703.db2.gz PRAWYHROSFZMFI-LLVKDONJSA-N 2 2 277.372 -0.093 20 0 CBADLP C[N@H+]1CCO[C@H](CNc2ncnc3c2CC[NH2+]CC3)C1 ZINC001155194471 815268708 /nfs/dbraw/zinc/26/87/08/815268708.db2.gz PRAWYHROSFZMFI-LLVKDONJSA-N 2 2 277.372 -0.093 20 0 CBADLP COC(=O)[C@@H]([NH3+])C1CCN(c2ncnc3c2C[NH2+]C3)CC1 ZINC001155153801 815267232 /nfs/dbraw/zinc/26/72/32/815267232.db2.gz RQYVLEHKMXMTBY-LBPRGKRZSA-N 2 2 291.355 -0.204 20 0 CBADLP O=C(N1CCC[C@H](CCO)C1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160610988 815644939 /nfs/dbraw/zinc/64/49/39/815644939.db2.gz QTXHZFWWSNDRMD-BZPMIXESSA-N 2 2 267.373 -0.441 20 0 CBADLP c1nc(N2CCOCC2)cc(NC[C@@]23C[NH2+][C@@H](CO2)C3)[nH+]1 ZINC001155537328 815291228 /nfs/dbraw/zinc/29/12/28/815291228.db2.gz GMZDSBHHBYUIOF-BXUZGUMPSA-N 2 2 291.355 -0.144 20 0 CBADLP c1nc(NC[C@@]23C[NH2+][C@@H](CO2)C3)cc(N2CCOCC2)[nH+]1 ZINC001155537328 815291232 /nfs/dbraw/zinc/29/12/32/815291232.db2.gz GMZDSBHHBYUIOF-BXUZGUMPSA-N 2 2 291.355 -0.144 20 0 CBADLP C[NH+]1CCN(c2cccc(NC[C@@H](O)CO)[nH+]2)CC1 ZINC001155646186 815303182 /nfs/dbraw/zinc/30/31/82/815303182.db2.gz ANHKSKMLZPUCTO-LLVKDONJSA-N 2 2 266.345 -0.402 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]Cc2ncccn2)C1 ZINC001156144142 815341681 /nfs/dbraw/zinc/34/16/81/815341681.db2.gz AGMSLFYBALRSFA-GFCCVEGCSA-N 2 2 293.371 -0.597 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]Cc2ncccn2)C1 ZINC001156144142 815341685 /nfs/dbraw/zinc/34/16/85/815341685.db2.gz AGMSLFYBALRSFA-GFCCVEGCSA-N 2 2 293.371 -0.597 20 0 CBADLP CC[C@@H]1[C@@H](NC(=O)Cn2c[nH+]cc2C)CC[N@@H+]1CC(N)=O ZINC001087659734 810300706 /nfs/dbraw/zinc/30/07/06/810300706.db2.gz XYTWPUWGNHQSQX-NWDGAFQWSA-N 2 2 293.371 -0.354 20 0 CBADLP CC[C@@H]1[C@@H](NC(=O)Cn2c[nH+]cc2C)CC[N@H+]1CC(N)=O ZINC001087659734 810300713 /nfs/dbraw/zinc/30/07/13/810300713.db2.gz XYTWPUWGNHQSQX-NWDGAFQWSA-N 2 2 293.371 -0.354 20 0 CBADLP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC[N@@H+]1CC(N)=O ZINC001087726370 810304570 /nfs/dbraw/zinc/30/45/70/810304570.db2.gz CGVUDGYVZBBRJX-RWMBFGLXSA-N 2 2 296.415 -0.217 20 0 CBADLP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC[N@H+]1CC(N)=O ZINC001087726370 810304575 /nfs/dbraw/zinc/30/45/75/810304575.db2.gz CGVUDGYVZBBRJX-RWMBFGLXSA-N 2 2 296.415 -0.217 20 0 CBADLP CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CC[NH+]1CC(N)=O ZINC001087726370 810304582 /nfs/dbraw/zinc/30/45/82/810304582.db2.gz CGVUDGYVZBBRJX-RWMBFGLXSA-N 2 2 296.415 -0.217 20 0 CBADLP CC[C@@H]1[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CC[NH+]1CC(N)=O ZINC001087726370 810304589 /nfs/dbraw/zinc/30/45/89/810304589.db2.gz CGVUDGYVZBBRJX-RWMBFGLXSA-N 2 2 296.415 -0.217 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)[C@H]1C ZINC001088494096 810335132 /nfs/dbraw/zinc/33/51/32/810335132.db2.gz LGMROQCLYJCMMB-GRYCIOLGSA-N 2 2 282.388 -0.594 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)[C@H]1C ZINC001088494096 810335135 /nfs/dbraw/zinc/33/51/35/810335135.db2.gz LGMROQCLYJCMMB-GRYCIOLGSA-N 2 2 282.388 -0.594 20 0 CBADLP CNC(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@H]1C ZINC001088494096 810335141 /nfs/dbraw/zinc/33/51/41/810335141.db2.gz LGMROQCLYJCMMB-GRYCIOLGSA-N 2 2 282.388 -0.594 20 0 CBADLP CNC(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@H]1C ZINC001088494096 810335145 /nfs/dbraw/zinc/33/51/45/810335145.db2.gz LGMROQCLYJCMMB-GRYCIOLGSA-N 2 2 282.388 -0.594 20 0 CBADLP COCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)[C@H]1C ZINC001088506538 810337476 /nfs/dbraw/zinc/33/74/76/810337476.db2.gz YRJVNHNBHGGUPJ-FRRDWIJNSA-N 2 2 285.388 -0.458 20 0 CBADLP COCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@H]1C ZINC001088506538 810337465 /nfs/dbraw/zinc/33/74/65/810337465.db2.gz YRJVNHNBHGGUPJ-FRRDWIJNSA-N 2 2 285.388 -0.458 20 0 CBADLP COCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@H]1C ZINC001088506538 810337470 /nfs/dbraw/zinc/33/74/70/810337470.db2.gz YRJVNHNBHGGUPJ-FRRDWIJNSA-N 2 2 285.388 -0.458 20 0 CBADLP COCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)[C@H]1C ZINC001088506538 810337481 /nfs/dbraw/zinc/33/74/81/810337481.db2.gz YRJVNHNBHGGUPJ-FRRDWIJNSA-N 2 2 285.388 -0.458 20 0 CBADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC(N)=O)[C@@H]1C ZINC001088563811 810343614 /nfs/dbraw/zinc/34/36/14/810343614.db2.gz HNARNRDYCLBPOX-AGIUHOORSA-N 2 2 296.415 -0.077 20 0 CBADLP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC(N)=O)[C@@H]1C ZINC001088563811 810343620 /nfs/dbraw/zinc/34/36/20/810343620.db2.gz HNARNRDYCLBPOX-AGIUHOORSA-N 2 2 296.415 -0.077 20 0 CBADLP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC(N)=O)[C@@H]1C ZINC001088563811 810343625 /nfs/dbraw/zinc/34/36/25/810343625.db2.gz HNARNRDYCLBPOX-AGIUHOORSA-N 2 2 296.415 -0.077 20 0 CBADLP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)[C@@H]1C ZINC001088563811 810343631 /nfs/dbraw/zinc/34/36/31/810343631.db2.gz HNARNRDYCLBPOX-AGIUHOORSA-N 2 2 296.415 -0.077 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](CC(N)=O)[C@@H]1C ZINC001088750432 810353215 /nfs/dbraw/zinc/35/32/15/810353215.db2.gz MPYYZVVQVDJLFQ-MNOVXSKESA-N 2 2 279.344 -0.744 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](CC(N)=O)[C@@H]1C ZINC001088750432 810353223 /nfs/dbraw/zinc/35/32/23/810353223.db2.gz MPYYZVVQVDJLFQ-MNOVXSKESA-N 2 2 279.344 -0.744 20 0 CBADLP CC[N@@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@@H](O)C1 ZINC001090382010 810486001 /nfs/dbraw/zinc/48/60/01/810486001.db2.gz NWHIDDYMPJELHM-AAEUAGOBSA-N 2 2 296.371 -0.079 20 0 CBADLP CC[N@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@@H](O)C1 ZINC001090382010 810486011 /nfs/dbraw/zinc/48/60/11/810486011.db2.gz NWHIDDYMPJELHM-AAEUAGOBSA-N 2 2 296.371 -0.079 20 0 CBADLP CC[N@@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H](O)C1 ZINC001090382012 810486748 /nfs/dbraw/zinc/48/67/48/810486748.db2.gz NWHIDDYMPJELHM-DGCLKSJQSA-N 2 2 296.371 -0.079 20 0 CBADLP CC[N@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H](O)C1 ZINC001090382012 810486749 /nfs/dbraw/zinc/48/67/49/810486749.db2.gz NWHIDDYMPJELHM-DGCLKSJQSA-N 2 2 296.371 -0.079 20 0 CBADLP O=C1CC[C@H](Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)C(=O)N1 ZINC001156720016 815376969 /nfs/dbraw/zinc/37/69/69/815376969.db2.gz DHCHIQBJWJEDQR-NSHDSACASA-N 2 2 289.339 -0.292 20 0 CBADLP CC(C)[N@@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001090679744 810549016 /nfs/dbraw/zinc/54/90/16/810549016.db2.gz QIKIYPJTPHJSDA-QWRGUYRKSA-N 2 2 266.345 -0.088 20 0 CBADLP CC(C)[N@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001090679744 810549026 /nfs/dbraw/zinc/54/90/26/810549026.db2.gz QIKIYPJTPHJSDA-QWRGUYRKSA-N 2 2 266.345 -0.088 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[N@H+](CC2CC2)C[C@@H]1O ZINC001090725271 810556114 /nfs/dbraw/zinc/55/61/14/810556114.db2.gz AJAGLFKPLLJQGP-KBPBESRZSA-N 2 2 292.383 -0.076 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[N@@H+](CC2CC2)C[C@@H]1O ZINC001090725271 810556125 /nfs/dbraw/zinc/55/61/25/810556125.db2.gz AJAGLFKPLLJQGP-KBPBESRZSA-N 2 2 292.383 -0.076 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[N@H+](CC2CC2)C[C@H]1O ZINC001090725275 810557878 /nfs/dbraw/zinc/55/78/78/810557878.db2.gz AJAGLFKPLLJQGP-ZIAGYGMSSA-N 2 2 292.383 -0.076 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C[C@H]1O ZINC001090725275 810557883 /nfs/dbraw/zinc/55/78/83/810557883.db2.gz AJAGLFKPLLJQGP-ZIAGYGMSSA-N 2 2 292.383 -0.076 20 0 CBADLP CCC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001090848808 810574887 /nfs/dbraw/zinc/57/48/87/810574887.db2.gz JAHRDFNIEQOGOZ-RYUDHWBXSA-N 2 2 266.345 -0.156 20 0 CBADLP CCC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001090848808 810574893 /nfs/dbraw/zinc/57/48/93/810574893.db2.gz JAHRDFNIEQOGOZ-RYUDHWBXSA-N 2 2 266.345 -0.156 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@@H+](CC2CC2)C[C@H]1O ZINC001090847351 810575123 /nfs/dbraw/zinc/57/51/23/810575123.db2.gz SARUWNVUGMTEBK-CHWSQXEVSA-N 2 2 278.356 -0.156 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@H+](CC2CC2)C[C@H]1O ZINC001090847351 810575128 /nfs/dbraw/zinc/57/51/28/810575128.db2.gz SARUWNVUGMTEBK-CHWSQXEVSA-N 2 2 278.356 -0.156 20 0 CBADLP C[C@]12CN(C(=O)Cn3cc[nH+]c3)C[C@H]1C[N@H+](CC(N)=O)C2 ZINC001092319852 810627540 /nfs/dbraw/zinc/62/75/40/810627540.db2.gz VIBPYULPOLONHD-RISCZKNCSA-N 2 2 291.355 -0.851 20 0 CBADLP C[C@]12CN(C(=O)Cn3cc[nH+]c3)C[C@H]1C[N@@H+](CC(N)=O)C2 ZINC001092319852 810627545 /nfs/dbraw/zinc/62/75/45/810627545.db2.gz VIBPYULPOLONHD-RISCZKNCSA-N 2 2 291.355 -0.851 20 0 CBADLP CC[NH2+]Cc1cn(C2CN(C(=O)Cn3cc[nH+]c3)C2)nn1 ZINC001093345423 810652463 /nfs/dbraw/zinc/65/24/63/810652463.db2.gz KITFGQVELFCSJJ-UHFFFAOYSA-N 2 2 289.343 -0.332 20 0 CBADLP Cc1cc(NCCNC(=O)[C@@H]2C[N@H+](C)CCO2)nc(C)[nH+]1 ZINC001093543178 810667082 /nfs/dbraw/zinc/66/70/82/810667082.db2.gz CDDZFIBPKCVVKY-LBPRGKRZSA-N 2 2 293.371 -0.048 20 0 CBADLP Cc1cc(NCCNC(=O)[C@@H]2C[N@@H+](C)CCO2)nc(C)[nH+]1 ZINC001093543178 810667090 /nfs/dbraw/zinc/66/70/90/810667090.db2.gz CDDZFIBPKCVVKY-LBPRGKRZSA-N 2 2 293.371 -0.048 20 0 CBADLP NC(=O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cc[nH+]c1)C2 ZINC001095067999 810738183 /nfs/dbraw/zinc/73/81/83/810738183.db2.gz SPSCUGAJKQDYLI-SRVKXCTJSA-N 2 2 291.355 -0.663 20 0 CBADLP C[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(N)=O)CC1 ZINC001095962879 810766874 /nfs/dbraw/zinc/76/68/74/810766874.db2.gz KMVPHHPOZKGBFT-AGIUHOORSA-N 2 2 294.399 -0.465 20 0 CBADLP C[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(N)=O)CC1 ZINC001095962879 810766879 /nfs/dbraw/zinc/76/68/79/810766879.db2.gz KMVPHHPOZKGBFT-AGIUHOORSA-N 2 2 294.399 -0.465 20 0 CBADLP C[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc[nH+]c1)C2 ZINC001098492609 810849784 /nfs/dbraw/zinc/84/97/84/810849784.db2.gz XMWVYBLMJLOPEW-LOWDOPEQSA-N 2 2 278.356 -0.015 20 0 CBADLP C[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc[nH+]c1)C2 ZINC001098492609 810849793 /nfs/dbraw/zinc/84/97/93/810849793.db2.gz XMWVYBLMJLOPEW-LOWDOPEQSA-N 2 2 278.356 -0.015 20 0 CBADLP C[NH+](C)C1(C(=O)N[C@H]2CC[N@H+](CCF)C[C@@H]2O)CCC1 ZINC001099871890 810955788 /nfs/dbraw/zinc/95/57/88/810955788.db2.gz LPYYFVVNIDZUPS-RYUDHWBXSA-N 2 2 287.379 -0.008 20 0 CBADLP C[NH+](C)C1(C(=O)N[C@H]2CC[N@@H+](CCF)C[C@@H]2O)CCC1 ZINC001099871890 810955791 /nfs/dbraw/zinc/95/57/91/810955791.db2.gz LPYYFVVNIDZUPS-RYUDHWBXSA-N 2 2 287.379 -0.008 20 0 CBADLP O=C(CCn1cc[nH+]c1)N[C@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001099939967 810971700 /nfs/dbraw/zinc/97/17/00/810971700.db2.gz OSSPNIXDULGLOP-QWHCGFSZSA-N 2 2 296.371 -0.793 20 0 CBADLP O=C(CCn1cc[nH+]c1)N[C@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001099939967 810971708 /nfs/dbraw/zinc/97/17/08/810971708.db2.gz OSSPNIXDULGLOP-QWHCGFSZSA-N 2 2 296.371 -0.793 20 0 CBADLP COCCC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001100048493 811003720 /nfs/dbraw/zinc/00/37/20/811003720.db2.gz MQNWFKCHVFLNAH-NWDGAFQWSA-N 2 2 296.371 -0.460 20 0 CBADLP COCCC[N@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001100048493 811003723 /nfs/dbraw/zinc/00/37/23/811003723.db2.gz MQNWFKCHVFLNAH-NWDGAFQWSA-N 2 2 296.371 -0.460 20 0 CBADLP CCOCC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001100048049 811004741 /nfs/dbraw/zinc/00/47/41/811004741.db2.gz FDGNNCKMGMYWLR-NWDGAFQWSA-N 2 2 296.371 -0.460 20 0 CBADLP CCOCC[N@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001100048049 811004747 /nfs/dbraw/zinc/00/47/47/811004747.db2.gz FDGNNCKMGMYWLR-NWDGAFQWSA-N 2 2 296.371 -0.460 20 0 CBADLP CC[C@@H]([NH2+]CCCNC(=O)CCc1[nH]cc[nH+]1)C(N)=O ZINC001157265478 815415369 /nfs/dbraw/zinc/41/53/69/815415369.db2.gz SFORVJOUIUVBLZ-SNVBAGLBSA-N 2 2 281.360 -0.298 20 0 CBADLP COCCC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001100136464 811029063 /nfs/dbraw/zinc/02/90/63/811029063.db2.gz NESFTYBKFLCBDC-OLZOCXBDSA-N 2 2 296.371 -0.529 20 0 CBADLP COCCC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001100136464 811029072 /nfs/dbraw/zinc/02/90/72/811029072.db2.gz NESFTYBKFLCBDC-OLZOCXBDSA-N 2 2 296.371 -0.529 20 0 CBADLP CN(C)C(=O)C[NH2+]CCCNC(=O)CCc1[nH]cc[nH+]1 ZINC001157255984 815415773 /nfs/dbraw/zinc/41/57/73/815415773.db2.gz GVECEKLADIVNSY-UHFFFAOYSA-N 2 2 281.360 -0.474 20 0 CBADLP O=C(CCc1[nH]cc[nH+]1)NCCC[NH2+][C@H]1CCCNC1=O ZINC001157264050 815415853 /nfs/dbraw/zinc/41/58/53/815415853.db2.gz ASHYPHULOQOQHT-NSHDSACASA-N 2 2 293.371 -0.283 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CCc1[nH]cc[nH+]1 ZINC001157265752 815415996 /nfs/dbraw/zinc/41/59/96/815415996.db2.gz VVPCIJXYVSXARI-SNVBAGLBSA-N 2 2 281.360 -0.427 20 0 CBADLP Cn1cnnc1C[NH2+]CCCNC(=O)CCc1[nH]cc[nH+]1 ZINC001157257833 815416130 /nfs/dbraw/zinc/41/61/30/815416130.db2.gz YBDKLIVSJFGBCL-UHFFFAOYSA-N 2 2 291.359 -0.233 20 0 CBADLP C[C@@H]([NH2+]C1CC(CNC(=O)CCn2cc[nH+]c2)C1)C(N)=O ZINC001100550444 811063521 /nfs/dbraw/zinc/06/35/21/811063521.db2.gz JXVOSEPCLYSSTF-VOMCLLRMSA-N 2 2 293.371 -0.369 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NCC1CC([NH2+]CCCO)C1 ZINC001100710506 811074244 /nfs/dbraw/zinc/07/42/44/811074244.db2.gz URDOBMXEMRJNKX-UHFFFAOYSA-N 2 2 266.345 -0.181 20 0 CBADLP C[C@H]([NH2+]C1CC(CNC(=O)Cc2c[nH]c[nH+]2)C1)C(N)=O ZINC001100710263 811075505 /nfs/dbraw/zinc/07/55/05/811075505.db2.gz KEGNTXUOFQRJQC-IDKOKCKLSA-N 2 2 279.344 -0.690 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]C1CC(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001100789671 811079356 /nfs/dbraw/zinc/07/93/56/811079356.db2.gz HVXAPQGHTDBAGI-KPPDAEKUSA-N 2 2 293.371 -0.429 20 0 CBADLP C[C@H](O)C[NH2+]C1CC(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001100871504 811082880 /nfs/dbraw/zinc/08/28/80/811082880.db2.gz UVPXJPIJPRQZJD-UNXYVOJBSA-N 2 2 280.372 -0.172 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCC1CC([NH2+][C@@H](C)C(N)=O)C1 ZINC001100918146 811085122 /nfs/dbraw/zinc/08/51/22/811085122.db2.gz GFIQZWJAEAIDBO-WHXUTIOJSA-N 2 2 293.371 -0.381 20 0 CBADLP CC[N@H+](CC(=O)NC)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001157287238 815420179 /nfs/dbraw/zinc/42/01/79/815420179.db2.gz KCRNWDNXKHPLAR-LLVKDONJSA-N 2 2 281.360 -0.544 20 0 CBADLP CC[N@@H+](CC(=O)NC)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001157287238 815420183 /nfs/dbraw/zinc/42/01/83/815420183.db2.gz KCRNWDNXKHPLAR-LLVKDONJSA-N 2 2 281.360 -0.544 20 0 CBADLP O=C(Cn1cc[nH+]c1)NCC1CC([NH2+][C@@H]2CCNC2=O)C1 ZINC001101071399 811094701 /nfs/dbraw/zinc/09/47/01/811094701.db2.gz GOWIBXBVXFEOEP-HTAVTVPLSA-N 2 2 291.355 -0.744 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C ZINC001102532010 811157210 /nfs/dbraw/zinc/15/72/10/811157210.db2.gz POYKAYMKGYYLAW-MWLCHTKSSA-N 2 2 293.371 -0.570 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C ZINC001102532010 811157216 /nfs/dbraw/zinc/15/72/16/811157216.db2.gz POYKAYMKGYYLAW-MWLCHTKSSA-N 2 2 293.371 -0.570 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC001102615951 811160078 /nfs/dbraw/zinc/16/00/78/811160078.db2.gz ZDUCNZCQQNVETO-GRYCIOLGSA-N 2 2 293.371 -0.559 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC001102615951 811160085 /nfs/dbraw/zinc/16/00/85/811160085.db2.gz ZDUCNZCQQNVETO-GRYCIOLGSA-N 2 2 293.371 -0.559 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC001102615952 811160442 /nfs/dbraw/zinc/16/04/42/811160442.db2.gz ZDUCNZCQQNVETO-IJLUTSLNSA-N 2 2 293.371 -0.559 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC001102615952 811160445 /nfs/dbraw/zinc/16/04/45/811160445.db2.gz ZDUCNZCQQNVETO-IJLUTSLNSA-N 2 2 293.371 -0.559 20 0 CBADLP C[C@@H]1C[N@H+](CCO)C[C@H]1CCNC(=O)Cn1cc[nH+]c1 ZINC001103779934 811186016 /nfs/dbraw/zinc/18/60/16/811186016.db2.gz SOFWPCATXJLWRU-CHWSQXEVSA-N 2 2 280.372 -0.050 20 0 CBADLP C[C@@H]1C[N@@H+](CCO)C[C@H]1CCNC(=O)Cn1cc[nH+]c1 ZINC001103779934 811186019 /nfs/dbraw/zinc/18/60/19/811186019.db2.gz SOFWPCATXJLWRU-CHWSQXEVSA-N 2 2 280.372 -0.050 20 0 CBADLP C[NH+](C)CCC(=O)N1CCC(OC2C[NH+](CCO)C2)CC1 ZINC001105724115 811243757 /nfs/dbraw/zinc/24/37/57/811243757.db2.gz OFAFMCZGRPALPE-UHFFFAOYSA-N 2 2 299.415 -0.378 20 0 CBADLP C[C@H](NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2)[C@@H]1CCCO1 ZINC001157424308 815432686 /nfs/dbraw/zinc/43/26/86/815432686.db2.gz RLWHDCBTOWSULR-YHMTXAQFSA-N 2 2 253.346 -0.108 20 0 CBADLP Cc1nc(NC[C@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)C2)cc[nH+]1 ZINC001105853222 811269385 /nfs/dbraw/zinc/26/93/85/811269385.db2.gz JEWGTFPSLXUBFY-NEPJUHHUSA-N 2 2 293.371 -0.374 20 0 CBADLP Cc1nc(NC[C@H](O)CNC(=O)[C@@H]2CC[N@H+](C)C2)cc[nH+]1 ZINC001105853222 811269391 /nfs/dbraw/zinc/26/93/91/811269391.db2.gz JEWGTFPSLXUBFY-NEPJUHHUSA-N 2 2 293.371 -0.374 20 0 CBADLP Cn1cncc1C[C@H]([NH3+])C(=O)N1CC[NH+](C)CC1 ZINC001157450867 815435238 /nfs/dbraw/zinc/43/52/38/815435238.db2.gz HBENLJBOBWBMGP-NSHDSACASA-N 2 2 251.334 -0.936 20 0 CBADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+]CCO ZINC001106705153 811315511 /nfs/dbraw/zinc/31/55/11/811315511.db2.gz UKWDLXIBMAVBIT-GHMZBOCLSA-N 2 2 266.345 -0.371 20 0 CBADLP COC(=O)N1CCN(C(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)CC1 ZINC001157508572 815440004 /nfs/dbraw/zinc/44/00/04/815440004.db2.gz VQSSPWIUQXXGRA-JTQLQIEISA-N 2 2 281.316 -0.810 20 0 CBADLP COC(=O)[C@H]1C[C@@H](C(=O)N2C[C@@H](F)[C@@H]([NH3+])C2)CC[NH2+]1 ZINC001157536235 815442294 /nfs/dbraw/zinc/44/22/94/815442294.db2.gz JGVHNCLWSFZSJJ-QCLAVDOMSA-N 2 2 273.308 -0.965 20 0 CBADLP [NH3+][C@H]1CN(C(=O)[C@@H]2C[NH2+]CC(F)(F)C2)C[C@H]1F ZINC001157535518 815442496 /nfs/dbraw/zinc/44/24/96/815442496.db2.gz AQEZVQGKFBJMIY-RNJXMRFFSA-N 2 2 251.252 -0.261 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@]1(C)C[NH+](CCO)CCO1 ZINC001107816684 811375331 /nfs/dbraw/zinc/37/53/31/811375331.db2.gz HMPGCPJCZCXGRK-TZMCWYRMSA-N 2 2 285.388 -0.720 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@]1(C)C[NH+](CCO)CCO1 ZINC001107816684 811375342 /nfs/dbraw/zinc/37/53/42/811375342.db2.gz HMPGCPJCZCXGRK-TZMCWYRMSA-N 2 2 285.388 -0.720 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@]1(C)C[N@H+](CCO)CCO1 ZINC001107816684 811375350 /nfs/dbraw/zinc/37/53/50/811375350.db2.gz HMPGCPJCZCXGRK-TZMCWYRMSA-N 2 2 285.388 -0.720 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@]1(C)C[N@@H+](CCO)CCO1 ZINC001107816684 811375354 /nfs/dbraw/zinc/37/53/54/811375354.db2.gz HMPGCPJCZCXGRK-TZMCWYRMSA-N 2 2 285.388 -0.720 20 0 CBADLP CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001107838836 811381320 /nfs/dbraw/zinc/38/13/20/811381320.db2.gz GGZRCPZARZOOJA-GXTWGEPZSA-N 2 2 285.388 -0.456 20 0 CBADLP CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001107838836 811381327 /nfs/dbraw/zinc/38/13/27/811381327.db2.gz GGZRCPZARZOOJA-GXTWGEPZSA-N 2 2 285.388 -0.456 20 0 CBADLP CC[NH+]1CCO[C@](C)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001107838836 811381335 /nfs/dbraw/zinc/38/13/35/811381335.db2.gz GGZRCPZARZOOJA-GXTWGEPZSA-N 2 2 285.388 -0.456 20 0 CBADLP CC[NH+]1CCO[C@](C)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001107838836 811381345 /nfs/dbraw/zinc/38/13/45/811381345.db2.gz GGZRCPZARZOOJA-GXTWGEPZSA-N 2 2 285.388 -0.456 20 0 CBADLP CC(C)[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001107839240 811382385 /nfs/dbraw/zinc/38/23/85/811382385.db2.gz KVAJSBXBTCZEDJ-UKRRQHHQSA-N 2 2 299.415 -0.068 20 0 CBADLP CC(C)[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001107839240 811382395 /nfs/dbraw/zinc/38/23/95/811382395.db2.gz KVAJSBXBTCZEDJ-UKRRQHHQSA-N 2 2 299.415 -0.068 20 0 CBADLP CC(C)[NH+]1CCO[C@](C)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001107839240 811382407 /nfs/dbraw/zinc/38/24/07/811382407.db2.gz KVAJSBXBTCZEDJ-UKRRQHHQSA-N 2 2 299.415 -0.068 20 0 CBADLP CC(C)[NH+]1CCO[C@](C)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001107839240 811382415 /nfs/dbraw/zinc/38/24/15/811382415.db2.gz KVAJSBXBTCZEDJ-UKRRQHHQSA-N 2 2 299.415 -0.068 20 0 CBADLP CC[C@H](C(=O)NC[C@]1(C)C[N@H+](CCO)CCO1)[NH+](C)C ZINC001108023333 811404783 /nfs/dbraw/zinc/40/47/83/811404783.db2.gz ZHXHQDKJDRKXGO-TZMCWYRMSA-N 2 2 287.404 -0.474 20 0 CBADLP CC[C@H](C(=O)NC[C@]1(C)C[N@@H+](CCO)CCO1)[NH+](C)C ZINC001108023333 811404786 /nfs/dbraw/zinc/40/47/86/811404786.db2.gz ZHXHQDKJDRKXGO-TZMCWYRMSA-N 2 2 287.404 -0.474 20 0 CBADLP Cn1nc2c(c1C(=O)N1C[C@@H](F)[C@@H]([NH3+])C1)C[NH2+]C2 ZINC001157564678 815445888 /nfs/dbraw/zinc/44/58/88/815445888.db2.gz NZKVEEAVAUWARK-SFYZADRCSA-N 2 2 253.281 -0.856 20 0 CBADLP CN(Cc1ncccn1)C(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001157682175 815452365 /nfs/dbraw/zinc/45/23/65/815452365.db2.gz YTRRMWBYSRKXHU-SNVBAGLBSA-N 2 2 260.301 -0.272 20 0 CBADLP CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001110159379 811510733 /nfs/dbraw/zinc/51/07/33/811510733.db2.gz NTNNYQXKFCTTRN-AGIUHOORSA-N 2 2 296.415 -0.206 20 0 CBADLP CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001110159379 811510735 /nfs/dbraw/zinc/51/07/35/811510735.db2.gz NTNNYQXKFCTTRN-AGIUHOORSA-N 2 2 296.415 -0.206 20 0 CBADLP CNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)C(C)C)C2 ZINC001110159379 811510737 /nfs/dbraw/zinc/51/07/37/811510737.db2.gz NTNNYQXKFCTTRN-AGIUHOORSA-N 2 2 296.415 -0.206 20 0 CBADLP CNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)C(C)C)C2 ZINC001110159379 811510739 /nfs/dbraw/zinc/51/07/39/811510739.db2.gz NTNNYQXKFCTTRN-AGIUHOORSA-N 2 2 296.415 -0.206 20 0 CBADLP CN(Cc1ncccn1)C(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001157681417 815453097 /nfs/dbraw/zinc/45/30/97/815453097.db2.gz HACRTEYFAVYQFQ-GXFFZTMASA-N 2 2 261.329 -0.614 20 0 CBADLP CCNC(=O)CN(C)C(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001157678562 815453212 /nfs/dbraw/zinc/45/32/12/815453212.db2.gz AULFDGOREHJMSI-GFCCVEGCSA-N 2 2 278.356 -0.147 20 0 CBADLP C[N@H+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(N)=O)C1CCC1 ZINC001110673881 811530545 /nfs/dbraw/zinc/53/05/45/811530545.db2.gz XJQDOAFSOOLCFF-UPJWGTAASA-N 2 2 294.399 -0.323 20 0 CBADLP O=C(N1CC(F)(C2CC2)C1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001157702998 815454613 /nfs/dbraw/zinc/45/46/13/815454613.db2.gz GTTYSKNNDXIKFQ-GXFFZTMASA-N 2 2 253.321 -0.102 20 0 CBADLP C[N@@H+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(N)=O)C1CCC1 ZINC001110673881 811530549 /nfs/dbraw/zinc/53/05/49/811530549.db2.gz XJQDOAFSOOLCFF-UPJWGTAASA-N 2 2 294.399 -0.323 20 0 CBADLP C[NH+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O)C1CCC1 ZINC001110673881 811530553 /nfs/dbraw/zinc/53/05/53/811530553.db2.gz XJQDOAFSOOLCFF-UPJWGTAASA-N 2 2 294.399 -0.323 20 0 CBADLP C[NH+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O)C1CCC1 ZINC001110673881 811530560 /nfs/dbraw/zinc/53/05/60/811530560.db2.gz XJQDOAFSOOLCFF-UPJWGTAASA-N 2 2 294.399 -0.323 20 0 CBADLP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC ZINC001111169141 811541349 /nfs/dbraw/zinc/54/13/49/811541349.db2.gz DNJLTTKBEHBYQF-UPJWGTAASA-N 2 2 296.415 -0.204 20 0 CBADLP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC ZINC001111169141 811541354 /nfs/dbraw/zinc/54/13/54/811541354.db2.gz DNJLTTKBEHBYQF-UPJWGTAASA-N 2 2 296.415 -0.204 20 0 CBADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC ZINC001111309470 811542778 /nfs/dbraw/zinc/54/27/78/811542778.db2.gz QTWARKKCXDIMAE-UPJWGTAASA-N 2 2 296.415 -0.204 20 0 CBADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)NC ZINC001111309470 811542785 /nfs/dbraw/zinc/54/27/85/811542785.db2.gz QTWARKKCXDIMAE-UPJWGTAASA-N 2 2 296.415 -0.204 20 0 CBADLP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC ZINC001111309470 811542790 /nfs/dbraw/zinc/54/27/90/811542790.db2.gz QTWARKKCXDIMAE-UPJWGTAASA-N 2 2 296.415 -0.204 20 0 CBADLP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC ZINC001111309470 811542796 /nfs/dbraw/zinc/54/27/96/811542796.db2.gz QTWARKKCXDIMAE-UPJWGTAASA-N 2 2 296.415 -0.204 20 0 CBADLP Cc1nc(NCCN(CCO)C(=O)CC[NH+](C)C)cc[nH+]1 ZINC001111555885 811550542 /nfs/dbraw/zinc/55/05/42/811550542.db2.gz IMZGOZKGSLUQFB-UHFFFAOYSA-N 2 2 295.387 -0.030 20 0 CBADLP O=C(N1C[C@H](F)C[C@H](CO)C1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001157730110 815458429 /nfs/dbraw/zinc/45/84/29/815458429.db2.gz JZDKLMMDRMPKQZ-SBFPOUOMSA-N 2 2 271.336 -0.883 20 0 CBADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](F)C[C@H](CO)C1 ZINC001157730770 815458974 /nfs/dbraw/zinc/45/89/74/815458974.db2.gz ONDQXRYETDVFHV-QXEWZRGKSA-N 2 2 270.308 -0.542 20 0 CBADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H](F)C[C@H](CO)C1 ZINC001157730767 815459262 /nfs/dbraw/zinc/45/92/62/815459262.db2.gz ONDQXRYETDVFHV-IQJOONFLSA-N 2 2 270.308 -0.542 20 0 CBADLP [NH3+]C[C@]1(F)CCCN(C(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)CC1 ZINC001157730813 815459495 /nfs/dbraw/zinc/45/94/95/815459495.db2.gz PLCHXSABUUALTN-AAEUAGOBSA-N 3 2 283.351 -0.041 20 0 CBADLP [NH3+]C[C@]1(F)CCCN(C(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)CC1 ZINC001157740886 815460435 /nfs/dbraw/zinc/46/04/35/815460435.db2.gz QPFJSCUMGFNKBH-UBHSHLNASA-N 3 2 284.379 -0.383 20 0 CBADLP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[NH+](CCO)CC1 ZINC001112908599 811610320 /nfs/dbraw/zinc/61/03/20/811610320.db2.gz BNYCTWRTXAQLSL-GFCCVEGCSA-N 2 2 275.368 -0.197 20 0 CBADLP COC[C@@H](O)C[NH+]1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001112969402 811613835 /nfs/dbraw/zinc/61/38/35/811613835.db2.gz DNXAQNDSTLUQDG-AWEZNQCLSA-N 2 2 299.415 -0.378 20 0 CBADLP COC[C@@H](O)C[NH+]1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001112969402 811613840 /nfs/dbraw/zinc/61/38/40/811613840.db2.gz DNXAQNDSTLUQDG-AWEZNQCLSA-N 2 2 299.415 -0.378 20 0 CBADLP [NH3+]C[C@]1(F)CCCN(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)CC1 ZINC001157745236 815461397 /nfs/dbraw/zinc/46/13/97/815461397.db2.gz MWMLRFMPUNPTCK-SCVCMEIPSA-N 3 2 258.341 -0.645 20 0 CBADLP CN1CCC[C@H]([NH+]2CCN(C(=O)CC[NH+](C)C)CC2)C1=O ZINC001113300409 811630686 /nfs/dbraw/zinc/63/06/86/811630686.db2.gz UVAFDSGHPBSGQG-ZDUSSCGKSA-N 2 2 296.415 -0.297 20 0 CBADLP C[NH+](C)CCC(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC001113301184 811631086 /nfs/dbraw/zinc/63/10/86/811631086.db2.gz KLTHSFKAFVSYJU-UHFFFAOYSA-N 2 2 280.376 -0.626 20 0 CBADLP COC[C@@H](O)C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001113344273 811632249 /nfs/dbraw/zinc/63/22/49/811632249.db2.gz RAUVIKICSXXQHU-KBPBESRZSA-N 2 2 299.415 -0.378 20 0 CBADLP COC[C@@H](O)C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001113344273 811632256 /nfs/dbraw/zinc/63/22/56/811632256.db2.gz RAUVIKICSXXQHU-KBPBESRZSA-N 2 2 299.415 -0.378 20 0 CBADLP COC[C@H](O)C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001113346208 811632690 /nfs/dbraw/zinc/63/26/90/811632690.db2.gz SBMMLRUPXFQJRZ-ZIAGYGMSSA-N 2 2 299.415 -0.520 20 0 CBADLP COC[C@H](O)C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001113346208 811632694 /nfs/dbraw/zinc/63/26/94/811632694.db2.gz SBMMLRUPXFQJRZ-ZIAGYGMSSA-N 2 2 299.415 -0.520 20 0 CBADLP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CC[NH+](CCOCCO)CC1 ZINC001113346423 811632959 /nfs/dbraw/zinc/63/29/59/811632959.db2.gz ZFKHESSKUQLOAA-UONOGXRCSA-N 2 2 299.415 -0.663 20 0 CBADLP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC[NH+](CCOCCO)CC1 ZINC001113346423 811632963 /nfs/dbraw/zinc/63/29/63/811632963.db2.gz ZFKHESSKUQLOAA-UONOGXRCSA-N 2 2 299.415 -0.663 20 0 CBADLP [NH3+]C1(C(=O)N2CCC[C@](O)(CF)CC2)CC[NH2+]CC1 ZINC001157781609 815465915 /nfs/dbraw/zinc/46/59/15/815465915.db2.gz RGUZCEIRKFGJMK-GFCCVEGCSA-N 2 2 273.352 -0.220 20 0 CBADLP O=C(N1CCC[C@](O)(CF)CC1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001157780054 815466007 /nfs/dbraw/zinc/46/60/07/815466007.db2.gz BJPKXOBNHPTWAN-IACUBPJLSA-N 2 2 285.363 -0.349 20 0 CBADLP C[N@@H+]1CC[C@H](C(=O)N2CC[NH+](CCOCCO)CC2)C1 ZINC001113629510 811651897 /nfs/dbraw/zinc/65/18/97/811651897.db2.gz LRXODPFJHSKEIF-ZDUSSCGKSA-N 2 2 285.388 -0.909 20 0 CBADLP C[N@H+]1CC[C@H](C(=O)N2CC[NH+](CCOCCO)CC2)C1 ZINC001113629510 811651901 /nfs/dbraw/zinc/65/19/01/811651901.db2.gz LRXODPFJHSKEIF-ZDUSSCGKSA-N 2 2 285.388 -0.909 20 0 CBADLP C[C@@H]1CCN(C(=O)[C@@H](CO)n2cc[nH+]c2)C[C@@H]1[NH3+] ZINC001157794011 815467599 /nfs/dbraw/zinc/46/75/99/815467599.db2.gz QMQCRDKMWDTZCY-OUAUKWLOSA-N 2 2 252.318 -0.388 20 0 CBADLP [NH3+]C1(C(=O)N2CCCC(=O)[C@@H](F)C2)CC[NH2+]CC1 ZINC001157856989 815474468 /nfs/dbraw/zinc/47/44/68/815474468.db2.gz YPIUDDIFDHUZOF-VIFPVBQESA-N 2 2 257.309 -0.403 20 0 CBADLP C[C@@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001157841930 815470828 /nfs/dbraw/zinc/47/08/28/815470828.db2.gz IXKMOKSAHKPGFM-NAWOPXAZSA-N 3 2 266.389 -0.478 20 0 CBADLP C[C@H]1C[C@@H](CO)N(C(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)C1 ZINC001157853756 815471604 /nfs/dbraw/zinc/47/16/04/815471604.db2.gz NITVSAQHDYHTBX-NOHGZBONSA-N 2 2 253.346 -0.833 20 0 CBADLP C[C@H]1CC[C@@H](CO)CN1C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001157856549 815473041 /nfs/dbraw/zinc/47/30/41/815473041.db2.gz VNFUMRXHEFCOKM-UMNHJUIQSA-N 2 2 266.345 -0.101 20 0 CBADLP O=C(N1CCCC(=O)[C@H](F)C1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001157856571 815473072 /nfs/dbraw/zinc/47/30/72/815473072.db2.gz WJLSTEIUWBURAW-CWSCBRNRSA-N 2 2 269.320 -0.533 20 0 CBADLP C[C@H]1CC[C@@H](CO)CN1C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001157854970 815473146 /nfs/dbraw/zinc/47/31/46/815473146.db2.gz KQWLIVHGBYHCDF-FPYNETTCSA-N 2 2 267.373 -0.444 20 0 CBADLP C[C@@H]1CC[C@@H](CO)CN1C(=O)C1([NH3+])CC[NH2+]CC1 ZINC001157855313 815473288 /nfs/dbraw/zinc/47/32/88/815473288.db2.gz MJHRCCYSOYDQNV-GHMZBOCLSA-N 2 2 255.362 -0.313 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CC[C@@H](O)[C@H](F)C1 ZINC001157856295 815473438 /nfs/dbraw/zinc/47/34/38/815473438.db2.gz UPZLIGYBUNXISP-OUAUKWLOSA-N 2 2 270.308 -0.779 20 0 CBADLP C[C@@H]1CC[C@H](CO)CN1C(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001157854860 815473767 /nfs/dbraw/zinc/47/37/67/815473767.db2.gz JFMRNTWTLBYOEP-CZXHOFHRSA-N 2 2 267.373 -0.443 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](CC(N)=O)C[C@H]21 ZINC001190363745 823813449 /nfs/dbraw/zinc/81/34/49/823813449.db2.gz ZWXSWQQEUJHJPY-NWDGAFQWSA-N 2 2 282.388 -0.655 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+](CC(N)=O)C[C@H]21 ZINC001190363745 823813452 /nfs/dbraw/zinc/81/34/52/823813452.db2.gz ZWXSWQQEUJHJPY-NWDGAFQWSA-N 2 2 282.388 -0.655 20 0 CBADLP C[C@]1(CO)CCCN(C(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)CC1 ZINC001157901258 815478907 /nfs/dbraw/zinc/47/89/07/815478907.db2.gz YINJHPCGIJFUIP-VHDGCEQUSA-N 2 2 281.400 -0.051 20 0 CBADLP CC(C)[NH+](C)CC(=O)N1CC[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001190363745 823813458 /nfs/dbraw/zinc/81/34/58/823813458.db2.gz ZWXSWQQEUJHJPY-NWDGAFQWSA-N 2 2 282.388 -0.655 20 0 CBADLP CC(C)[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001190363745 823813462 /nfs/dbraw/zinc/81/34/62/823813462.db2.gz ZWXSWQQEUJHJPY-NWDGAFQWSA-N 2 2 282.388 -0.655 20 0 CBADLP C[NH+]1CCN(C(=[NH2+])Nc2ccc(S(N)(=O)=O)cn2)CC1 ZINC001157914498 815482092 /nfs/dbraw/zinc/48/20/92/815482092.db2.gz GBCQPSBSJDZCGT-UHFFFAOYSA-N 2 2 298.372 -0.677 20 0 CBADLP CC1(C)CN(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)[C@@](C)(CO)C1 ZINC001157926806 815484311 /nfs/dbraw/zinc/48/43/11/815484311.db2.gz SIZQJWUAHYEGLQ-GBIKHYSHSA-N 2 2 255.362 -0.315 20 0 CBADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CCC[C@@](F)(CO)CC1 ZINC001157934474 815487669 /nfs/dbraw/zinc/48/76/69/815487669.db2.gz KIPIURWOILBPQB-FMSGJZPZSA-N 2 2 285.363 -0.351 20 0 CBADLP Cc1nc(CCN(C)C(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)no1 ZINC001157983029 815494574 /nfs/dbraw/zinc/49/45/74/815494574.db2.gz LFAXZZYBIKKYOQ-SNVBAGLBSA-N 2 2 278.316 -0.328 20 0 CBADLP [NH3+]C1(C(=O)N2CCC[C@](F)(CO)CC2)CC[NH2+]CC1 ZINC001157935333 815488513 /nfs/dbraw/zinc/48/85/13/815488513.db2.gz UFNUNIHCXBDCOG-GFCCVEGCSA-N 2 2 273.352 -0.220 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CCc2cc3c(cc2C1)OCO3 ZINC001157983307 815494694 /nfs/dbraw/zinc/49/46/94/815494694.db2.gz NBSXCEYCZLDNPJ-RYUDHWBXSA-N 2 2 289.335 -0.153 20 0 CBADLP CN(C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)[C@H]1CC[C@H](O)CC1 ZINC001157989800 815495837 /nfs/dbraw/zinc/49/58/37/815495837.db2.gz UWNANOMVMLUDDK-PJSNJIKXSA-N 2 2 267.373 -0.302 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)CC1CC[NH2+]CC1 ZINC001157997633 815495947 /nfs/dbraw/zinc/49/59/47/815495947.db2.gz BFDCPBPOMXQWPQ-LBPRGKRZSA-N 2 2 283.372 -0.260 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@H]1C[C@H](C)CC[NH2+]1 ZINC001157999110 815496616 /nfs/dbraw/zinc/49/66/16/815496616.db2.gz OSUVKUZKIXHANG-UTUOFQBUSA-N 2 2 283.372 -0.262 20 0 CBADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@@H]1CCCC[NH2+]C1 ZINC001157999710 815497119 /nfs/dbraw/zinc/49/71/19/815497119.db2.gz SLAKPXTXDPBEBG-VXGBXAGGSA-N 2 2 283.372 -0.260 20 0 CBADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@H]1C[NH2+]CC1(C)C ZINC001158007833 815498386 /nfs/dbraw/zinc/49/83/86/815498386.db2.gz WLCFDJSANZOVOC-GHMZBOCLSA-N 2 2 283.372 -0.405 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)CCCCNC(N)=[NH2+] ZINC001158007763 815498659 /nfs/dbraw/zinc/49/86/59/815498659.db2.gz VPMGKUKOCZHTFW-JTQLQIEISA-N 2 2 299.375 -0.997 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCC3(C[C@H]3CCO)CC2)C1 ZINC001158111034 815504978 /nfs/dbraw/zinc/50/49/78/815504978.db2.gz JJNWRRDMHSAIES-UTUOFQBUSA-N 2 2 267.373 -0.313 20 0 CBADLP O=C(N1CCC2(C[C@@H]2CCO)CC1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001158112117 815505113 /nfs/dbraw/zinc/50/51/13/815505113.db2.gz VOEZFBSEJQMKPB-XEZPLFJOSA-N 2 2 293.411 -0.051 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CCC2(C[C@H]2CCO)CC1 ZINC001158111242 815505174 /nfs/dbraw/zinc/50/51/74/815505174.db2.gz MAUQADMEUGKCHU-WOPDTQHZSA-N 2 2 267.373 -0.456 20 0 CBADLP COC[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1[nH]cc[nH+]1 ZINC001115013339 812173416 /nfs/dbraw/zinc/17/34/16/812173416.db2.gz KIEOEEVWCOWUNX-PUHVVEEASA-N 2 2 294.355 -0.994 20 0 CBADLP COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1[nH]cc[nH+]1 ZINC001115013339 812173422 /nfs/dbraw/zinc/17/34/22/812173422.db2.gz KIEOEEVWCOWUNX-PUHVVEEASA-N 2 2 294.355 -0.994 20 0 CBADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccc(-n2ccnc2)nn1 ZINC001158206279 815514416 /nfs/dbraw/zinc/51/44/16/815514416.db2.gz HMYPVMZZEIRXOH-SNVBAGLBSA-N 2 2 285.311 -0.290 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC001115188879 812184203 /nfs/dbraw/zinc/18/42/03/812184203.db2.gz RRTHZGUVQCSPLF-NHAGDIPZSA-N 2 2 292.383 -0.219 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC001115188879 812184210 /nfs/dbraw/zinc/18/42/10/812184210.db2.gz RRTHZGUVQCSPLF-NHAGDIPZSA-N 2 2 292.383 -0.219 20 0 CBADLP Cn1cnc2c1ncnc2-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001158203852 815512558 /nfs/dbraw/zinc/51/25/58/815512558.db2.gz RLHNVHJGZFXCQN-MRVPVSSYSA-N 2 2 273.300 -0.589 20 0 CBADLP COC(=O)c1cc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)ncn1 ZINC001158203512 815512845 /nfs/dbraw/zinc/51/28/45/815512845.db2.gz BSADWBDKZYNELL-MRVPVSSYSA-N 2 2 277.284 -0.689 20 0 CBADLP CN(C)c1ccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nn1 ZINC001158203110 815512893 /nfs/dbraw/zinc/51/28/93/815512893.db2.gz FHPXPKABEWHTFA-SECBINFHSA-N 2 2 262.317 -0.410 20 0 CBADLP CNC(=O)c1cccnc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001158206258 815513737 /nfs/dbraw/zinc/51/37/37/815513737.db2.gz GIYALUTULFIAFZ-SECBINFHSA-N 2 2 275.312 -0.511 20 0 CBADLP CN(C)C(=O)c1cncc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001158209178 815513811 /nfs/dbraw/zinc/51/38/11/815513811.db2.gz JMQLJIKBHMNLMJ-SECBINFHSA-N 2 2 290.327 -0.774 20 0 CBADLP COCCOc1ccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nn1 ZINC001158209366 815514158 /nfs/dbraw/zinc/51/41/58/815514158.db2.gz SMVJHBASPVIGND-SNVBAGLBSA-N 2 2 293.327 -0.450 20 0 CBADLP Cc1nc(N(C)C)nc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001158206727 815514233 /nfs/dbraw/zinc/51/42/33/815514233.db2.gz YOCSWVABMMCZQG-SECBINFHSA-N 2 2 277.332 -0.706 20 0 CBADLP Cc1cc(C(N)=O)cc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001158209012 815514240 /nfs/dbraw/zinc/51/42/40/815514240.db2.gz DGLMKWZYHMADJY-SNVBAGLBSA-N 2 2 275.312 -0.463 20 0 CBADLP CS(=O)(=O)c1ccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nc1 ZINC001158206408 815514257 /nfs/dbraw/zinc/51/42/57/815514257.db2.gz NAUPPCIHZOMJDD-SECBINFHSA-N 2 2 296.352 -0.467 20 0 CBADLP [NH3+]CC12CC(C1)CN2C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001158185735 815510731 /nfs/dbraw/zinc/51/07/31/815510731.db2.gz BVCNCLDPFYIILH-LOJHMKGZSA-N 3 2 250.346 -0.842 20 0 CBADLP O=S1(=O)CCC[C@H](C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC001117094453 812364146 /nfs/dbraw/zinc/36/41/46/812364146.db2.gz VKQNXKIXSJTHJH-IJLUTSLNSA-N 2 2 258.387 -0.038 20 0 CBADLP Cc1[nH]c2c([nH+]1)CCN(C(=O)[C@@H]1C[NH2+]CC13C[NH2+]C3)CC2 ZINC001158339251 815521319 /nfs/dbraw/zinc/52/13/19/815521319.db2.gz MSIWXSKMSJFPDD-NSHDSACASA-N 3 2 289.383 -0.546 20 0 CBADLP O=C(N1CC[C@@H]2CCO[C@H]2C1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001158340018 815521823 /nfs/dbraw/zinc/52/18/23/815521823.db2.gz XRTBWYSLBNSZDR-NRWUCQMLSA-N 2 2 265.357 -0.425 20 0 CBADLP O=C(N1CC[C@@H]2CCO[C@H]2C1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001158340021 815521892 /nfs/dbraw/zinc/52/18/92/815521892.db2.gz XRTBWYSLBNSZDR-UHXUPSOCSA-N 2 2 265.357 -0.425 20 0 CBADLP Cc1[nH]c2c([nH+]1)CCN(C(=O)CNCC[NH3+])CC2 ZINC001158347411 815521900 /nfs/dbraw/zinc/52/19/00/815521900.db2.gz KDDACXJBBXSNQX-UHFFFAOYSA-N 2 2 251.334 -0.806 20 0 CBADLP COC(=O)C[C@H]([NH3+])C(=O)NCCCCn1cc[nH+]c1 ZINC001118128147 812473573 /nfs/dbraw/zinc/47/35/73/812473573.db2.gz YHRLALFPVWAGCH-JTQLQIEISA-N 2 2 268.317 -0.330 20 0 CBADLP [NH3+]CCCn1cc(C(=O)NCCCn2cc[nH+]c2)nn1 ZINC001118183939 812487455 /nfs/dbraw/zinc/48/74/55/812487455.db2.gz YSUTZTBMMLVMGO-UHFFFAOYSA-N 2 2 277.332 -0.357 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H](N)CC[NH+](C)C ZINC001118273410 812516788 /nfs/dbraw/zinc/51/67/88/812516788.db2.gz VSFJFYZGFKIAGL-GHMZBOCLSA-N 2 2 253.350 -0.333 20 0 CBADLP [NH3+]CC1(CCNC(=O)C(=O)NCCCn2cc[nH+]c2)CC1 ZINC001118328218 812530705 /nfs/dbraw/zinc/53/07/05/812530705.db2.gz IYNJTVKLEYCXHI-UHFFFAOYSA-N 2 2 293.371 -0.365 20 0 CBADLP CCOC(=O)[C@@]12C[C@@H]1CCN2C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001158532591 815536740 /nfs/dbraw/zinc/53/67/40/815536740.db2.gz CRZXJGNIOPRAAI-MTLGCJRHSA-N 2 2 293.367 -0.238 20 0 CBADLP Cn1cc[nH+]c1N1CC[NH+](C[C@H]2CNC(=O)C2)CC1 ZINC001118557482 812576070 /nfs/dbraw/zinc/57/60/70/812576070.db2.gz PNRLYXUQUUFLTN-LLVKDONJSA-N 2 2 263.345 -0.322 20 0 CBADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC001118569439 812579051 /nfs/dbraw/zinc/57/90/51/812579051.db2.gz WNCAGWRFNMBRJI-OPRDCNLKSA-N 2 2 255.318 -0.913 20 0 CBADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001158567166 815538083 /nfs/dbraw/zinc/53/80/83/815538083.db2.gz FKTJUIFUYOTHIC-MVWJERBFSA-N 3 2 295.362 -0.185 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1C[C@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001158579521 815539746 /nfs/dbraw/zinc/53/97/46/815539746.db2.gz UKOARLPRQFVLGZ-MMWGEVLESA-N 3 2 270.352 -0.932 20 0 CBADLP O=C(N1CCCC(=O)CC1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001158658907 815542861 /nfs/dbraw/zinc/54/28/61/815542861.db2.gz MQMUXZYYOSDNAT-GWCFXTLKSA-N 2 2 251.330 -0.481 20 0 CBADLP CN(C[C@H](O)CO)C(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001158805137 815548957 /nfs/dbraw/zinc/54/89/57/815548957.db2.gz ZJXRRQQHRACYRT-RYUDHWBXSA-N 2 2 267.329 -0.930 20 0 CBADLP C[C@H]1C[C@H]2CN(C(=O)[C@]34C[NH2+]C[C@@H]3CC[NH2+]4)CC[C@H]2O1 ZINC001158855180 815549574 /nfs/dbraw/zinc/54/95/74/815549574.db2.gz FNBFBWHRPCYPCU-BAYHKCFCSA-N 2 2 279.384 -0.036 20 0 CBADLP CCN(C(=O)C(=O)NCCn1cc[nH+]c1)[C@H]1CC[NH2+]C1 ZINC001119406301 812776418 /nfs/dbraw/zinc/77/64/18/812776418.db2.gz HZPMLWSYCBZHID-NSHDSACASA-N 2 2 279.344 -0.790 20 0 CBADLP C(CN1CC[NH2+]CC[NH2+]CC1)C[NH+]1CCOCC1 ZINC001119618461 812835428 /nfs/dbraw/zinc/83/54/28/812835428.db2.gz KVWLZNVDZKUFSY-UHFFFAOYSA-N 3 2 256.394 -0.797 20 0 CBADLP Cn1nccc1[C@H](O)C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC001120277603 812946165 /nfs/dbraw/zinc/94/61/65/812946165.db2.gz KNXNSMJSFAVLTJ-WCQYABFASA-N 2 2 268.361 -0.502 20 0 CBADLP Cn1nccc1[C@H](O)C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC001120277603 812946171 /nfs/dbraw/zinc/94/61/71/812946171.db2.gz KNXNSMJSFAVLTJ-WCQYABFASA-N 2 2 268.361 -0.502 20 0 CBADLP O=C1NCCCC[C@@H]1[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC001120480135 812972369 /nfs/dbraw/zinc/97/23/69/812972369.db2.gz LIFCQCQLOMQZPK-RYUDHWBXSA-N 2 2 255.362 -0.299 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001159291170 815567676 /nfs/dbraw/zinc/56/76/76/815567676.db2.gz LUYKSIQJRLBVPM-STQMWFEESA-N 3 2 278.400 -0.523 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001159291170 815567680 /nfs/dbraw/zinc/56/76/80/815567680.db2.gz LUYKSIQJRLBVPM-STQMWFEESA-N 3 2 278.400 -0.523 20 0 CBADLP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@H]2CCCC[N@H+](C)C2)CC1 ZINC001120596348 812996880 /nfs/dbraw/zinc/99/68/80/812996880.db2.gz SXSCEQYCEUQHRS-CVEARBPZSA-N 3 2 298.475 -0.084 20 0 CBADLP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)CC1 ZINC001120596348 812996887 /nfs/dbraw/zinc/99/68/87/812996887.db2.gz SXSCEQYCEUQHRS-CVEARBPZSA-N 3 2 298.475 -0.084 20 0 CBADLP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@H]2CCCC[N@H+](C)C2)CC1 ZINC001120596350 812997785 /nfs/dbraw/zinc/99/77/85/812997785.db2.gz SXSCEQYCEUQHRS-HZPDHXFCSA-N 3 2 298.475 -0.084 20 0 CBADLP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)CC1 ZINC001120596350 812997790 /nfs/dbraw/zinc/99/77/90/812997790.db2.gz SXSCEQYCEUQHRS-HZPDHXFCSA-N 3 2 298.475 -0.084 20 0 CBADLP Cc1nc(N[C@H](CO)CNC(=O)[C@@H]2CC[N@@H+](C)C2)cc[nH+]1 ZINC001121589487 813071343 /nfs/dbraw/zinc/07/13/43/813071343.db2.gz GERIAPMSOOTMOZ-NEPJUHHUSA-N 2 2 293.371 -0.374 20 0 CBADLP Cc1nc(N[C@H](CO)CNC(=O)[C@@H]2CC[N@H+](C)C2)cc[nH+]1 ZINC001121589487 813071347 /nfs/dbraw/zinc/07/13/47/813071347.db2.gz GERIAPMSOOTMOZ-NEPJUHHUSA-N 2 2 293.371 -0.374 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)[C@H]2CCCC[NH2+]2)CC1 ZINC001122157288 813126180 /nfs/dbraw/zinc/12/61/80/813126180.db2.gz HUGBPIMUUJALLQ-GFCCVEGCSA-N 3 2 254.378 -0.332 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001159537517 815578907 /nfs/dbraw/zinc/57/89/07/815578907.db2.gz YQZUVHRSKCRCGN-SNVBAGLBSA-N 2 2 281.360 -0.427 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CCc1c[nH+]c[nH]1 ZINC001159537517 815578913 /nfs/dbraw/zinc/57/89/13/815578913.db2.gz YQZUVHRSKCRCGN-SNVBAGLBSA-N 2 2 281.360 -0.427 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)NCCC[NH2+][C@@H]1CCCNC1=O ZINC001159537161 815579036 /nfs/dbraw/zinc/57/90/36/815579036.db2.gz MSFSRKGABVJYOG-GFCCVEGCSA-N 2 2 293.371 -0.283 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)NCCC[NH2+][C@@H]1CCCNC1=O ZINC001159537161 815579038 /nfs/dbraw/zinc/57/90/38/815579038.db2.gz MSFSRKGABVJYOG-GFCCVEGCSA-N 2 2 293.371 -0.283 20 0 CBADLP CN1CC[C@@H]([NH2+]CCCNC(=O)CCc2c[nH]c[nH+]2)C1=O ZINC001159540704 815579074 /nfs/dbraw/zinc/57/90/74/815579074.db2.gz WSEMBNFDPTUBQY-GFCCVEGCSA-N 2 2 293.371 -0.331 20 0 CBADLP CN1CC[C@@H]([NH2+]CCCNC(=O)CCc2c[nH+]c[nH]2)C1=O ZINC001159540704 815579079 /nfs/dbraw/zinc/57/90/79/815579079.db2.gz WSEMBNFDPTUBQY-GFCCVEGCSA-N 2 2 293.371 -0.331 20 0 CBADLP CCCNC(=O)C[NH2+]CCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001159537046 815579140 /nfs/dbraw/zinc/57/91/40/815579140.db2.gz HKQXJHOIKMJZFR-UHFFFAOYSA-N 2 2 295.387 -0.036 20 0 CBADLP CCCNC(=O)C[NH2+]CCCNC(=O)CCc1c[nH+]c[nH]1 ZINC001159537046 815579143 /nfs/dbraw/zinc/57/91/43/815579143.db2.gz HKQXJHOIKMJZFR-UHFFFAOYSA-N 2 2 295.387 -0.036 20 0 CBADLP C[C@@H]([NH2+]CCCNC(=O)CCc1c[nH]c[nH+]1)C(N)=O ZINC001159537382 815579255 /nfs/dbraw/zinc/57/92/55/815579255.db2.gz WUIVXVDSCXTHLD-SECBINFHSA-N 2 2 267.333 -0.688 20 0 CBADLP C[C@@H]([NH2+]CCCNC(=O)CCc1c[nH+]c[nH]1)C(N)=O ZINC001159537382 815579258 /nfs/dbraw/zinc/57/92/58/815579258.db2.gz WUIVXVDSCXTHLD-SECBINFHSA-N 2 2 267.333 -0.688 20 0 CBADLP COC[C@H]([NH3+])C(=O)NCCNc1ccc(C)c[nH+]1 ZINC001122234996 813137470 /nfs/dbraw/zinc/13/74/70/813137470.db2.gz LETDZSSVSOWSKY-JTQLQIEISA-N 2 2 252.318 -0.108 20 0 CBADLP [NH3+]CCC[C@H]([NH3+])Nc1cc(N2CCOCC2)[nH+]cn1 ZINC001159780234 815594568 /nfs/dbraw/zinc/59/45/68/815594568.db2.gz UXNYWDGHNCIBJX-SNVBAGLBSA-N 3 2 266.349 -0.251 20 0 CBADLP [NH3+]CCC[C@@H]([NH3+])Nc1cc[nH+]c(N2CCOCC2)n1 ZINC001159786974 815596430 /nfs/dbraw/zinc/59/64/30/815596430.db2.gz OXPUHXFALPPVIX-JTQLQIEISA-N 3 2 266.349 -0.251 20 0 CBADLP Cn1nnc(C[NH2+]CCCNC(=O)C2([NH+](C)C)CCC2)n1 ZINC001159853258 815600400 /nfs/dbraw/zinc/60/04/00/815600400.db2.gz BLLWKLSOGHLOTO-UHFFFAOYSA-N 2 2 295.391 -0.710 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC001123786312 813272232 /nfs/dbraw/zinc/27/22/32/813272232.db2.gz PLHRBFWLPAQSRA-CYBMUJFWSA-N 2 2 266.345 -0.465 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC001123786312 813272238 /nfs/dbraw/zinc/27/22/38/813272238.db2.gz PLHRBFWLPAQSRA-CYBMUJFWSA-N 2 2 266.345 -0.465 20 0 CBADLP Cc1nnc([C@H](C)[NH2+]CCNC(=O)[C@H]2CCC[N@@H+]2C)[nH]1 ZINC001124877084 813494893 /nfs/dbraw/zinc/49/48/93/813494893.db2.gz BMNNPBPDMLZMNM-GXSJLCMTSA-N 2 2 280.376 -0.026 20 0 CBADLP Cc1nnc([C@H](C)[NH2+]CCNC(=O)[C@H]2CCC[N@H+]2C)[nH]1 ZINC001124877084 813494897 /nfs/dbraw/zinc/49/48/97/813494897.db2.gz BMNNPBPDMLZMNM-GXSJLCMTSA-N 2 2 280.376 -0.026 20 0 CBADLP Cc1csc(C[NH2+]CCNC(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC001125213919 813533865 /nfs/dbraw/zinc/53/38/65/813533865.db2.gz MTCPAMHQINSSBZ-NSHDSACASA-N 2 2 298.412 -0.012 20 0 CBADLP Cc1csc(C[NH2+]CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001125213919 813533867 /nfs/dbraw/zinc/53/38/67/813533867.db2.gz MTCPAMHQINSSBZ-NSHDSACASA-N 2 2 298.412 -0.012 20 0 CBADLP Cc1nc(C)c(C[NH2+]CCNC(=O)[C@@H]2C[N@H+](C)CCO2)o1 ZINC001125222326 813536794 /nfs/dbraw/zinc/53/67/94/813536794.db2.gz UVMLAXBECOXVMP-ZDUSSCGKSA-N 2 2 296.371 -0.172 20 0 CBADLP Cc1nc(C)c(C[NH2+]CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)o1 ZINC001125222326 813536800 /nfs/dbraw/zinc/53/68/00/813536800.db2.gz UVMLAXBECOXVMP-ZDUSSCGKSA-N 2 2 296.371 -0.172 20 0 CBADLP CCN1CC[C@H]([NH2+]CCNC(=O)CCc2[nH]cc[nH+]2)C1=O ZINC001126442189 813647389 /nfs/dbraw/zinc/64/73/89/813647389.db2.gz IZBSQSFWJLQCGJ-NSHDSACASA-N 2 2 293.371 -0.331 20 0 CBADLP CS(=O)(=O)CC[NH2+]CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001126437241 813647763 /nfs/dbraw/zinc/64/77/63/813647763.db2.gz XIDOXVPEWVUDQN-UHFFFAOYSA-N 2 2 288.373 -0.907 20 0 CBADLP O=C(CCc1[nH]cc[nH+]1)NCC[NH2+][C@H]1CCCNC1=O ZINC001126436724 813647789 /nfs/dbraw/zinc/64/77/89/813647789.db2.gz JPFBWKBVQPAIPB-JTQLQIEISA-N 2 2 279.344 -0.673 20 0 CBADLP O=C(CCc1[nH]cc[nH+]1)NCC[NH2+]CCOCCO ZINC001126436709 813648002 /nfs/dbraw/zinc/64/80/02/813648002.db2.gz IRJVBXATRLEGAI-UHFFFAOYSA-N 2 2 270.333 -0.943 20 0 CBADLP CC(C)N(C)C(=O)C[NH2+]CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001126436503 813648151 /nfs/dbraw/zinc/64/81/51/813648151.db2.gz CZLVKRUKWFTDDV-UHFFFAOYSA-N 2 2 295.387 -0.085 20 0 CBADLP Cc1nnc(C[NH2+]CCNC(=O)[C@H]2C[NH+]3CCC2CC3)o1 ZINC001127474222 813731899 /nfs/dbraw/zinc/73/18/99/813731899.db2.gz KGGXWCSSFWSEIE-LBPRGKRZSA-N 2 2 293.371 -0.074 20 0 CBADLP Cc1noc(C[NH2+]CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)n1 ZINC001127475147 813732324 /nfs/dbraw/zinc/73/23/24/813732324.db2.gz ROWFFMIAMWGQPM-GFCCVEGCSA-N 2 2 293.371 -0.074 20 0 CBADLP C[C@@H](O)C[NH2+]CCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001127772237 813747612 /nfs/dbraw/zinc/74/76/12/813747612.db2.gz FHRUBOIYADSNRB-ZWNOBZJWSA-N 2 2 295.387 -0.123 20 0 CBADLP C[C@@H](O)C[NH2+]CCNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001127772237 813747615 /nfs/dbraw/zinc/74/76/15/813747615.db2.gz FHRUBOIYADSNRB-ZWNOBZJWSA-N 2 2 295.387 -0.123 20 0 CBADLP O=C(NCC[NH2+]Cc1cnon1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127784822 813748523 /nfs/dbraw/zinc/74/85/23/813748523.db2.gz BNZZXGCUBRFNCY-VXGBXAGGSA-N 2 2 295.343 -0.861 20 0 CBADLP O=C(NCC[NH2+]Cc1cnon1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127784822 813748528 /nfs/dbraw/zinc/74/85/28/813748528.db2.gz BNZZXGCUBRFNCY-VXGBXAGGSA-N 2 2 295.343 -0.861 20 0 CBADLP C[C@H]([NH2+]CCNC(=O)CCc1c[nH]c[nH+]1)C(=O)N(C)C ZINC001128967097 813811335 /nfs/dbraw/zinc/81/13/35/813811335.db2.gz AZRCOYIYTJOJQR-JTQLQIEISA-N 2 2 281.360 -0.475 20 0 CBADLP C[C@H]([NH2+]CCNC(=O)CCc1c[nH+]c[nH]1)C(=O)N(C)C ZINC001128967097 813811344 /nfs/dbraw/zinc/81/13/44/813811344.db2.gz AZRCOYIYTJOJQR-JTQLQIEISA-N 2 2 281.360 -0.475 20 0 CBADLP CCN1CC[C@H]([NH2+]CCNC(=O)CCc2c[nH]c[nH+]2)C1=O ZINC001128967454 813812128 /nfs/dbraw/zinc/81/21/28/813812128.db2.gz QMBSJZVPGGTBIO-LBPRGKRZSA-N 2 2 293.371 -0.331 20 0 CBADLP CCN1CC[C@H]([NH2+]CCNC(=O)CCc2c[nH+]c[nH]2)C1=O ZINC001128967454 813812139 /nfs/dbraw/zinc/81/21/39/813812139.db2.gz QMBSJZVPGGTBIO-LBPRGKRZSA-N 2 2 293.371 -0.331 20 0 CBADLP CCNC(=O)C[NH2+]CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001128992229 813814214 /nfs/dbraw/zinc/81/42/14/813814214.db2.gz VSOOBHXERSEUOZ-UHFFFAOYSA-N 2 2 267.333 -0.816 20 0 CBADLP O=C(NCC[NH2+][C@H]1CCCNC1=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001129891950 813876912 /nfs/dbraw/zinc/87/69/12/813876912.db2.gz ZLHAIDCAYCMPST-MXWKQRLJSA-N 2 2 291.355 -0.502 20 0 CBADLP CC(C)[C@@H](C(=O)NCC[NH2+]Cc1nnnn1C)[NH+](C)C ZINC001129947387 813882128 /nfs/dbraw/zinc/88/21/28/813882128.db2.gz XPQJUXRCGYHGLB-NSHDSACASA-N 2 2 283.380 -0.998 20 0 CBADLP CC(C)C[C@H](C(=O)NCC[NH2+]CC(N)=O)n1cc[nH+]c1 ZINC001130001432 813895501 /nfs/dbraw/zinc/89/55/01/813895501.db2.gz ODMMMNSILAQXHF-LLVKDONJSA-N 2 2 281.360 -0.339 20 0 CBADLP Cc1cn(C(C)(C)C(=O)NCC[NH2+][C@H]2CCNC2=O)c[nH+]1 ZINC001130164930 813913427 /nfs/dbraw/zinc/91/34/27/813913427.db2.gz IPIHJLQDESCCJB-NSHDSACASA-N 2 2 293.371 -0.479 20 0 CBADLP Cc1nonc1C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001130180731 813914082 /nfs/dbraw/zinc/91/40/82/813914082.db2.gz VYPZSXRZLHDPGK-BXKDBHETSA-N 2 2 297.359 -0.697 20 0 CBADLP Cc1nonc1C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001130180731 813914084 /nfs/dbraw/zinc/91/40/84/813914084.db2.gz VYPZSXRZLHDPGK-BXKDBHETSA-N 2 2 297.359 -0.697 20 0 CBADLP CC[C@H](C(=O)NCC[NH2+]Cc1nnc(C)o1)[NH+](C)C ZINC001130198140 813916462 /nfs/dbraw/zinc/91/64/62/813916462.db2.gz XCDIHVHAAAMQCG-SNVBAGLBSA-N 2 2 269.349 -0.076 20 0 CBADLP CNC(=O)C[NH2+]CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001130266016 813922815 /nfs/dbraw/zinc/92/28/15/813922815.db2.gz IKKUMYYYLFPYSR-UHFFFAOYSA-N 2 2 275.312 -0.372 20 0 CBADLP Cn1ncc(C[NH2+]CCNC(=O)[C@H]2CCCC[N@@H+]2C)n1 ZINC001130297098 813922999 /nfs/dbraw/zinc/92/29/99/813922999.db2.gz HWPNJQPVLFOPGI-GFCCVEGCSA-N 2 2 280.376 -0.495 20 0 CBADLP Cn1ncc(C[NH2+]CCNC(=O)[C@H]2CCCC[N@H+]2C)n1 ZINC001130297098 813923006 /nfs/dbraw/zinc/92/30/06/813923006.db2.gz HWPNJQPVLFOPGI-GFCCVEGCSA-N 2 2 280.376 -0.495 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001130403734 813936516 /nfs/dbraw/zinc/93/65/16/813936516.db2.gz BHMZEZWUGMJTNO-MNOVXSKESA-N 2 2 293.371 -0.714 20 0 CBADLP CN(C)C(=O)C[NH2+]CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001130403952 813936981 /nfs/dbraw/zinc/93/69/81/813936981.db2.gz FKZXOCYXSXKQMI-NSHDSACASA-N 2 2 293.371 -0.761 20 0 CBADLP CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001130487610 813943882 /nfs/dbraw/zinc/94/38/82/813943882.db2.gz ICGNTDKOQMNDKY-LLVKDONJSA-N 2 2 293.371 -0.713 20 0 CBADLP CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001130477120 813943976 /nfs/dbraw/zinc/94/39/76/813943976.db2.gz AWXYSORJMZUJKP-LLVKDONJSA-N 2 2 293.371 -0.713 20 0 CBADLP COC[C@@H](O)C[NH2+]CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001130481618 813944144 /nfs/dbraw/zinc/94/41/44/813944144.db2.gz XQPYGQDZHXDZLF-NEPJUHHUSA-N 2 2 296.371 -0.841 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001130487460 813944151 /nfs/dbraw/zinc/94/41/51/813944151.db2.gz GUIGLHXVYATORZ-MNOVXSKESA-N 2 2 293.371 -0.714 20 0 CBADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC[NH2+]CCO)C2 ZINC001130491355 813944987 /nfs/dbraw/zinc/94/49/87/813944987.db2.gz QXXICPAOVZAXOT-SNVBAGLBSA-N 2 2 266.345 -0.479 20 0 CBADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)NCC[NH2+]CCO)CC2 ZINC001130491355 813944991 /nfs/dbraw/zinc/94/49/91/813944991.db2.gz QXXICPAOVZAXOT-SNVBAGLBSA-N 2 2 266.345 -0.479 20 0 CBADLP COC[C@@H](O)C[NH2+]CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001130488156 813945435 /nfs/dbraw/zinc/94/54/35/813945435.db2.gz NFZXETVWJADUGK-YPMHNXCESA-N 2 2 296.371 -0.841 20 0 CBADLP CCNC(=O)C[NH2+]CCNC(=O)c1cc(C[NH+](C)C)on1 ZINC001130653730 813961653 /nfs/dbraw/zinc/96/16/53/813961653.db2.gz WYIFFZORDVAXCM-UHFFFAOYSA-N 2 2 297.359 -0.808 20 0 CBADLP Cn1ncnc1C[NH2+]CCNC(=O)c1ccn2c[nH+]cc2c1 ZINC001130867684 813987730 /nfs/dbraw/zinc/98/77/30/813987730.db2.gz LOBMTZPVCRUTLT-UHFFFAOYSA-N 2 2 299.338 -0.018 20 0 CBADLP Cn1ncc(C[NH2+]CCNC(=O)c2ccn3c[nH+]cc3c2)n1 ZINC001130867905 813988790 /nfs/dbraw/zinc/98/87/90/813988790.db2.gz TYJBZELOPSPNJP-UHFFFAOYSA-N 2 2 299.338 -0.018 20 0 CBADLP O=C(NCC[NH2+]CCn1cncn1)c1cccc2[nH+]ccn21 ZINC001131273655 814015828 /nfs/dbraw/zinc/01/58/28/814015828.db2.gz RAEFOHWTRPKVGO-UHFFFAOYSA-N 2 2 299.338 -0.055 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NCC[NH2+]Cc1nncn1C ZINC001131380723 814028452 /nfs/dbraw/zinc/02/84/52/814028452.db2.gz YCGCLMFSLUBJPW-UHFFFAOYSA-N 2 2 277.332 -0.774 20 0 CBADLP CNC(=O)C[NH2+]CCNC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001131417552 814029180 /nfs/dbraw/zinc/02/91/80/814029180.db2.gz CAEKMEKDEZSTGV-UHFFFAOYSA-N 2 2 293.371 -0.786 20 0 CBADLP CC(C)[NH2+]CCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001131613662 814048117 /nfs/dbraw/zinc/04/81/17/814048117.db2.gz JLZAJZOQWBSBFB-KGLIPLIRSA-N 2 2 299.415 -0.020 20 0 CBADLP COCCOCC[NH2+]CCNC(=O)CCc1[nH+]ccn1C ZINC001131641268 814048776 /nfs/dbraw/zinc/04/87/76/814048776.db2.gz LZVQVCBJHPYOFO-UHFFFAOYSA-N 2 2 298.387 -0.279 20 0 CBADLP CCNC(=O)C[NH2+]CCNC(=O)CCc1[nH+]ccn1C ZINC001131639294 814049918 /nfs/dbraw/zinc/04/99/18/814049918.db2.gz FTEITBATCYMDFZ-UHFFFAOYSA-N 2 2 281.360 -0.805 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]CCNC(=O)CCc1[nH+]ccn1C ZINC001131656441 814051992 /nfs/dbraw/zinc/05/19/92/814051992.db2.gz OYCXQGOGWKVMDP-JTQLQIEISA-N 2 2 281.360 -0.807 20 0 CBADLP O=C(NCC[NH2+]CCCO)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC001131824701 814072499 /nfs/dbraw/zinc/07/24/99/814072499.db2.gz FVIXOJYOOUGZHF-AWEZNQCLSA-N 2 2 299.415 -0.425 20 0 CBADLP O=C(NCC[NH2+]CCCO)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC001131824701 814072506 /nfs/dbraw/zinc/07/25/06/814072506.db2.gz FVIXOJYOOUGZHF-AWEZNQCLSA-N 2 2 299.415 -0.425 20 0 CBADLP O=C(CCn1cc[nH+]c1)NCC[NH2+]CCNC(=O)C1CC1 ZINC001132081939 814099522 /nfs/dbraw/zinc/09/95/22/814099522.db2.gz GZLQBOFXSMRJOQ-UHFFFAOYSA-N 2 2 293.371 -0.495 20 0 CBADLP CS(=O)(=O)CC[NH2+]CCNC(=O)CCn1cc[nH+]c1 ZINC001132079663 814100129 /nfs/dbraw/zinc/10/01/29/814100129.db2.gz HIPIPAMIMVQVAN-UHFFFAOYSA-N 2 2 288.373 -0.976 20 0 CBADLP CCn1nncc1C[NH2+]CCNC(=O)CCn1cc[nH+]c1 ZINC001132079795 814100805 /nfs/dbraw/zinc/10/08/05/814100805.db2.gz MYGMZFJYIVSYRZ-UHFFFAOYSA-N 2 2 291.359 -0.209 20 0 CBADLP CCN(C)C(=O)C[NH2+]CCNC(=O)CCn1cc[nH+]c1 ZINC001132079853 814100819 /nfs/dbraw/zinc/10/08/19/814100819.db2.gz PPFFIEAPLNLYMS-UHFFFAOYSA-N 2 2 281.360 -0.543 20 0 CBADLP CCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CCn1cc[nH+]c1 ZINC001132084708 814101577 /nfs/dbraw/zinc/10/15/77/814101577.db2.gz HIQYLWOPCAOUID-GFCCVEGCSA-N 2 2 295.387 -0.106 20 0 CBADLP COCc1noc(C[NH2+]CCNC(=O)CCC[NH+](C)C)n1 ZINC001133040164 814210522 /nfs/dbraw/zinc/21/05/22/814210522.db2.gz DHWIQPLGVCSJST-UHFFFAOYSA-N 2 2 299.375 -0.236 20 0 CBADLP COCc1noc([C@H](C)[NH2+]CCNC(=O)CC[NH+](C)C)n1 ZINC001133297938 814239396 /nfs/dbraw/zinc/23/93/96/814239396.db2.gz TYKRIUIWQHYOAW-JTQLQIEISA-N 2 2 299.375 -0.066 20 0 CBADLP C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C[NH2+]CC(N)=O ZINC001133354321 814248862 /nfs/dbraw/zinc/24/88/62/814248862.db2.gz OQQCBMPPVOQGRQ-NEPJUHHUSA-N 2 2 293.371 -0.557 20 0 CBADLP C[C@H](O)C[NH2+]CCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001133664454 814282975 /nfs/dbraw/zinc/28/29/75/814282975.db2.gz RHBFPPLNSHKPHI-VHSXEESVSA-N 2 2 266.345 -0.084 20 0 CBADLP C[C@H]([NH2+]CCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21)C(N)=O ZINC001133664631 814283738 /nfs/dbraw/zinc/28/37/38/814283738.db2.gz VUKIDPCZCXVWKI-DTWKUNHWSA-N 2 2 279.344 -0.591 20 0 CBADLP C[C@H]1CC[N@H+](CC(=O)NCC[NH2+]Cc2cnon2)C1 ZINC001133846192 814307789 /nfs/dbraw/zinc/30/77/89/814307789.db2.gz VQKOJCRRCSMVPZ-JTQLQIEISA-N 2 2 267.333 -0.383 20 0 CBADLP C[C@H]1CC[N@@H+](CC(=O)NCC[NH2+]Cc2cnon2)C1 ZINC001133846192 814307798 /nfs/dbraw/zinc/30/77/98/814307798.db2.gz VQKOJCRRCSMVPZ-JTQLQIEISA-N 2 2 267.333 -0.383 20 0 CBADLP Cc1noc(C[NH2+]CCNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)n1 ZINC001133868119 814314932 /nfs/dbraw/zinc/31/49/32/814314932.db2.gz ZKYGVFAJJWICCO-GXSJLCMTSA-N 2 2 281.360 -0.218 20 0 CBADLP Cc1noc(C[NH2+]CCNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)n1 ZINC001133868119 814314941 /nfs/dbraw/zinc/31/49/41/814314941.db2.gz ZKYGVFAJJWICCO-GXSJLCMTSA-N 2 2 281.360 -0.218 20 0 CBADLP CC(C)(C)CNC(=O)C[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001134396899 814380418 /nfs/dbraw/zinc/38/04/18/814380418.db2.gz HWXRGMYWEHPSFB-UHFFFAOYSA-N 2 2 295.387 -0.180 20 0 CBADLP CCCC[C@H]([NH2+]CCNC(=O)Cc1c[nH]c[nH+]1)C(N)=O ZINC001134397841 814380719 /nfs/dbraw/zinc/38/07/19/814380719.db2.gz WAZXIXMCKRCNAK-NSHDSACASA-N 2 2 281.360 -0.298 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NCC[NH2+]CCOC[C@@H]1CCCO1 ZINC001134397914 814381363 /nfs/dbraw/zinc/38/13/63/814381363.db2.gz YPTBCMFSKFDFCB-ZDUSSCGKSA-N 2 2 296.371 -0.146 20 0 CBADLP CC[C@H](C)NC(=O)C[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001134407023 814382782 /nfs/dbraw/zinc/38/27/82/814382782.db2.gz MWZOPSJNDVLAQK-JTQLQIEISA-N 2 2 281.360 -0.427 20 0 CBADLP COC[C@@H](O)C[NH2+]CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001134498677 814388288 /nfs/dbraw/zinc/38/82/88/814388288.db2.gz MVGHKGYBUYTQEQ-RYUDHWBXSA-N 2 2 284.360 -0.453 20 0 CBADLP CNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001134544886 814396032 /nfs/dbraw/zinc/39/60/32/814396032.db2.gz JSDPGHHASLQFQC-QWRGUYRKSA-N 2 2 295.387 -0.039 20 0 CBADLP CNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001134544886 814396041 /nfs/dbraw/zinc/39/60/41/814396041.db2.gz JSDPGHHASLQFQC-QWRGUYRKSA-N 2 2 295.387 -0.039 20 0 CBADLP COC[C@H](O)C[NH2+]CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001135079648 814434658 /nfs/dbraw/zinc/43/46/58/814434658.db2.gz BKJOIZJOBPBMHK-ZYHUDNBSSA-N 2 2 284.360 -0.699 20 0 CBADLP COC[C@H](O)C[NH2+]CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001135079648 814434661 /nfs/dbraw/zinc/43/46/61/814434661.db2.gz BKJOIZJOBPBMHK-ZYHUDNBSSA-N 2 2 284.360 -0.699 20 0 CBADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+][C@@H](C)C(=O)N(C)C ZINC001135079631 814434893 /nfs/dbraw/zinc/43/48/93/814434893.db2.gz BAJFHDMJYULQCU-QWRGUYRKSA-N 2 2 295.387 -0.229 20 0 CBADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[NH2+][C@@H](C)C(=O)N(C)C ZINC001135079631 814434898 /nfs/dbraw/zinc/43/48/98/814434898.db2.gz BAJFHDMJYULQCU-QWRGUYRKSA-N 2 2 295.387 -0.229 20 0 CBADLP CCNC(=O)C[NH2+]CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001135079998 814435139 /nfs/dbraw/zinc/43/51/39/814435139.db2.gz IWKBYKYTEQPPML-SNVBAGLBSA-N 2 2 281.360 -0.570 20 0 CBADLP CCCNC(=O)C[NH2+]CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001135080145 814435189 /nfs/dbraw/zinc/43/51/89/814435189.db2.gz LJYIPTOGTQLIGT-LLVKDONJSA-N 2 2 295.387 -0.180 20 0 CBADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+][C@@H](C)C(N)=O ZINC001135071357 814435393 /nfs/dbraw/zinc/43/53/93/814435393.db2.gz FDEPYCLREWPAIJ-IUCAKERBSA-N 2 2 267.333 -0.832 20 0 CBADLP CC[NH+](CC)CC(=O)NCC[NH2+]Cc1cnon1 ZINC001135511198 814480899 /nfs/dbraw/zinc/48/08/99/814480899.db2.gz LRXGNRJGVQLXCH-UHFFFAOYSA-N 2 2 255.322 -0.383 20 0 CBADLP C[C@H](C[C@H](C)[NH2+]CCO)NC(=O)Cc1c[nH]c[nH+]1 ZINC001135558128 814490841 /nfs/dbraw/zinc/49/08/41/814490841.db2.gz YWTONDKLEYWRJD-VHSXEESVSA-N 2 2 254.334 -0.183 20 0 CBADLP C[C@H]([NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(N)=O ZINC001160325624 815616879 /nfs/dbraw/zinc/61/68/79/815616879.db2.gz BXNWKWRLJVHQKP-IVZWLZJFSA-N 2 2 279.344 -0.517 20 0 CBADLP C[C@H]([NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(N)=O ZINC001160325624 815616883 /nfs/dbraw/zinc/61/68/83/815616883.db2.gz BXNWKWRLJVHQKP-IVZWLZJFSA-N 2 2 279.344 -0.517 20 0 CBADLP CC[C@H]([NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(N)=O ZINC001160331976 815617228 /nfs/dbraw/zinc/61/72/28/815617228.db2.gz DHOUFHZCMOTUFZ-MXWKQRLJSA-N 2 2 293.371 -0.127 20 0 CBADLP CC[C@H]([NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(N)=O ZINC001160331976 815617232 /nfs/dbraw/zinc/61/72/32/815617232.db2.gz DHOUFHZCMOTUFZ-MXWKQRLJSA-N 2 2 293.371 -0.127 20 0 CBADLP CCN(CC)C(=O)C[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001135755908 814519579 /nfs/dbraw/zinc/51/95/79/814519579.db2.gz TVRKSUHVYXVDJZ-UHFFFAOYSA-N 2 2 281.360 -0.474 20 0 CBADLP CC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001135755167 814520042 /nfs/dbraw/zinc/52/00/42/814520042.db2.gz MNCCJRLLADLVDT-SNVBAGLBSA-N 2 2 281.360 -0.427 20 0 CBADLP Cn1cc(CC[NH2+]CCNC(=O)Cc2[nH]cc[nH+]2)cn1 ZINC001135757675 814520491 /nfs/dbraw/zinc/52/04/91/814520491.db2.gz KWGRLGXVNWFVEF-UHFFFAOYSA-N 2 2 276.344 -0.366 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NCC[NH2+]C[C@H]1CCOC1 ZINC001135759710 814521131 /nfs/dbraw/zinc/52/11/31/814521131.db2.gz CAPUESHRGITRFB-SNVBAGLBSA-N 2 2 252.318 -0.306 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NCC[NH2+]CC(=O)N1CCCC1 ZINC001135761124 814521236 /nfs/dbraw/zinc/52/12/36/814521236.db2.gz ZLWAAMNYIISIBD-UHFFFAOYSA-N 2 2 279.344 -0.720 20 0 CBADLP CNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001135774504 814521610 /nfs/dbraw/zinc/52/16/10/814521610.db2.gz KVHGPKGSEQTTLS-NXEZZACHSA-N 2 2 281.360 -0.429 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NCC[NH2+]CCCO[C@H]1CCOC1 ZINC001135760642 814522122 /nfs/dbraw/zinc/52/21/22/814522122.db2.gz RLPDGBSSNKBUJX-LBPRGKRZSA-N 2 2 296.371 -0.146 20 0 CBADLP CNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001135774507 814523023 /nfs/dbraw/zinc/52/30/23/814523023.db2.gz KVHGPKGSEQTTLS-ZJUUUORDSA-N 2 2 281.360 -0.429 20 0 CBADLP C[C@@H](C[C@H](C)[NH2+]CCOCCO)NC(=O)Cc1[nH]cc[nH+]1 ZINC001135799057 814528309 /nfs/dbraw/zinc/52/83/09/814528309.db2.gz QUZCREFKODAALC-RYUDHWBXSA-N 2 2 298.387 -0.166 20 0 CBADLP C[C@H](C[C@H](C)[NH2+]CC(N)=O)NC(=O)Cc1[nH]cc[nH+]1 ZINC001135798856 814529320 /nfs/dbraw/zinc/52/93/20/814529320.db2.gz MXOQLUBXAAWXFS-DTWKUNHWSA-N 2 2 267.333 -0.690 20 0 CBADLP C[NH+]1CC(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC001142592489 814720923 /nfs/dbraw/zinc/72/09/23/814720923.db2.gz ZBHZNRQHIBELHY-UHFFFAOYSA-N 2 2 293.371 -0.285 20 0 CBADLP CC(C)[NH+]1CC(NC(=O)CC[NH+]2CCN(C)CC2)C1 ZINC001143236668 814764421 /nfs/dbraw/zinc/76/44/21/814764421.db2.gz PKUXWZHMNHMWGX-UHFFFAOYSA-N 2 2 268.405 -0.167 20 0 CBADLP CN(CC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)C(N)=[NH2+] ZINC001144132384 814773365 /nfs/dbraw/zinc/77/33/65/814773365.db2.gz PEQJQSKTOVZDOA-VIFPVBQESA-N 2 2 264.333 -0.059 20 0 CBADLP C[C@@H](C[C@H](C)[NH2+]CCOCCO)NC(=O)Cn1cc[nH+]c1 ZINC001146755165 814846468 /nfs/dbraw/zinc/84/64/68/814846468.db2.gz HOTBJYBKIAWYJK-STQMWFEESA-N 2 2 298.387 -0.235 20 0 CBADLP CCc1nnc(C[NH2+]CCNC(=O)COCC[NH+](C)C)o1 ZINC001147848562 814920203 /nfs/dbraw/zinc/92/02/03/814920203.db2.gz PPUPWSMXSDYCEY-UHFFFAOYSA-N 2 2 299.375 -0.584 20 0 CBADLP CC(C)NC(=O)C[NH2+]CCNC(=O)Cc1c[nH+]cn1C ZINC001147871822 814920733 /nfs/dbraw/zinc/92/07/33/814920733.db2.gz NMDPRWQAKMQEHZ-UHFFFAOYSA-N 2 2 281.360 -0.807 20 0 CBADLP C[C@@H]([NH2+]CCNC(=O)Cc1c[nH+]cn1C)C(=O)N(C)C ZINC001147877223 814922232 /nfs/dbraw/zinc/92/22/32/814922232.db2.gz HBHHRQIXADACNZ-SNVBAGLBSA-N 2 2 281.360 -0.855 20 0 CBADLP Cc1cnc(C[NH2+]CCNC(=O)Cc2c[nH+]cn2C)cn1 ZINC001147878216 814922791 /nfs/dbraw/zinc/92/27/91/814922791.db2.gz VERZWHJGDZMBGD-UHFFFAOYSA-N 2 2 288.355 -0.033 20 0 CBADLP CCCC[C@@H]([NH2+]CCNC(=O)Cc1c[nH+]cn1C)C(N)=O ZINC001147878222 814923245 /nfs/dbraw/zinc/92/32/45/814923245.db2.gz VMIODRZLFUYJAH-GFCCVEGCSA-N 2 2 295.387 -0.288 20 0 CBADLP C[NH2+]CC1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)CC1 ZINC001160456270 815625404 /nfs/dbraw/zinc/62/54/04/815625404.db2.gz FJJIVNLUNNVGMO-OCCSQVGLSA-N 3 2 266.389 -0.604 20 0 CBADLP COC(=O)CCN(Cc1ccco1)C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001160471552 815627088 /nfs/dbraw/zinc/62/70/88/815627088.db2.gz VHCDYGXLIGXMEO-PWSUYJOCSA-N 2 2 295.339 -0.140 20 0 CBADLP CCN(C(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2)C1CCOCC1 ZINC001160494233 815629435 /nfs/dbraw/zinc/62/94/35/815629435.db2.gz RLXHHFFYCRNIND-RISCZKNCSA-N 2 2 267.373 -0.035 20 0 CBADLP CC(C)CC(=O)NC1CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])CC1 ZINC001160498637 815629833 /nfs/dbraw/zinc/62/98/33/815629833.db2.gz NIVZZMDZBALRJI-STQMWFEESA-N 2 2 296.415 -0.314 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CC[C@@H](c2cccnc2)C1 ZINC001160524392 815632281 /nfs/dbraw/zinc/63/22/81/815632281.db2.gz LNAMYHPJAIQCER-AGIUHOORSA-N 2 2 260.341 -0.056 20 0 CBADLP COC(=O)[C@H]1C[C@H](C(=O)N2CCC([NH3+])CC2)CC[NH2+]1 ZINC001160513279 815632616 /nfs/dbraw/zinc/63/26/16/815632616.db2.gz ARSHTTHJQMLXBF-MWLCHTKSSA-N 2 2 269.345 -0.523 20 0 CBADLP Cn1cc2c(n1)CCN(C(=O)[C@@]13CC[C@@H]([NH2+]1)[C@H]([NH3+])C3)C2 ZINC001160558380 815637708 /nfs/dbraw/zinc/63/77/08/815637708.db2.gz NTVPUEZENHWFPI-QKCSRTOESA-N 2 2 275.356 -0.473 20 0 CBADLP CC(C)(C)[NH+]1CCN(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)CC1 ZINC001160578315 815639675 /nfs/dbraw/zinc/63/96/75/815639675.db2.gz VMZFRSBCSLJBPJ-MNOVXSKESA-N 3 2 254.378 -0.382 20 0 CBADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC2(CCC(=O)O2)CC1 ZINC001160575508 815639796 /nfs/dbraw/zinc/63/97/96/815639796.db2.gz AXFXOLJFMOGDEN-NSHDSACASA-N 2 2 292.339 -0.022 20 0 CBADLP O=C(N1CCC2(CCC(=O)O2)CC1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160575795 815640338 /nfs/dbraw/zinc/64/03/38/815640338.db2.gz JERGHCPKIWTZJF-NHYWBVRUSA-N 2 2 293.367 -0.364 20 0 CBADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H](CCO)C1 ZINC001160611845 815645304 /nfs/dbraw/zinc/64/53/04/815645304.db2.gz XHCONJPAJCYSLE-CMPLNLGQSA-N 2 2 266.345 -0.100 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCC[C@H](n3cncn3)C2)C1 ZINC001160638511 815649373 /nfs/dbraw/zinc/64/93/73/815649373.db2.gz VMMHRDFFHSPNLG-VWYCJHECSA-N 2 2 264.333 -0.869 20 0 CBADLP C[C@H]1CC(=O)CCN1C(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160642523 815650571 /nfs/dbraw/zinc/65/05/71/815650571.db2.gz KOGVHQUHJHRAHI-OUJBWJOFSA-N 2 2 251.330 -0.482 20 0 CBADLP C[C@H]1CC(=O)CCN1C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001160642978 815650851 /nfs/dbraw/zinc/65/08/51/815650851.db2.gz TXTGZHYAHHYCKQ-FSZOTQKASA-N 2 2 251.330 -0.484 20 0 CBADLP COC(CN(C)C(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2)OC ZINC001160684409 815656796 /nfs/dbraw/zinc/65/67/96/815656796.db2.gz UGZWGPYULJQNNU-SKDRFNHKSA-N 2 2 257.334 -0.985 20 0 CBADLP CN(CC[NH+]1CCCC1)C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001160688462 815656944 /nfs/dbraw/zinc/65/69/44/815656944.db2.gz PRIIEKQWWQFNSH-ZDUSSCGKSA-N 3 2 279.388 -0.156 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCO[C@H](C(F)(F)F)C2)C1 ZINC001160706065 815661730 /nfs/dbraw/zinc/66/17/30/815661730.db2.gz WLQCGJMZIOUSAZ-CSMHCCOUSA-N 2 2 267.251 -0.535 20 0 CBADLP Cn1cnnc1C1CCN(C(=O)C2([NH3+])CC[NH2+]CC2)CC1 ZINC001160705833 815662426 /nfs/dbraw/zinc/66/24/26/815662426.db2.gz SRAHTCZBIXQQEX-UHFFFAOYSA-N 2 2 292.387 -0.398 20 0 CBADLP [NH3+][C@@H](Cc1c[nH]cn1)C(=O)N1CC[NH+]2CCC1CC2 ZINC001160726211 815664872 /nfs/dbraw/zinc/66/48/72/815664872.db2.gz LMSXFUZSAAABID-LBPRGKRZSA-N 2 2 263.345 -0.414 20 0 CBADLP [NH3+][C@@H](Cc1cnc[nH]1)C(=O)N1CC[NH+]2CCC1CC2 ZINC001160726211 815664876 /nfs/dbraw/zinc/66/48/76/815664876.db2.gz LMSXFUZSAAABID-LBPRGKRZSA-N 2 2 263.345 -0.414 20 0 CBADLP O=C([C@@H]1C[NH2+]CCN1)N1CCC(n2cc[nH+]c2)CC1 ZINC001160726218 815665029 /nfs/dbraw/zinc/66/50/29/815665029.db2.gz MCTFYPJFYWNSCD-LBPRGKRZSA-N 2 2 263.345 -0.392 20 0 CBADLP [NH3+]C[C@@H](O)CC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC001160726154 815665517 /nfs/dbraw/zinc/66/55/17/815665517.db2.gz JRKLEMIEYDWGJD-NSHDSACASA-N 2 2 252.318 -0.244 20 0 CBADLP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCC(n2cc[nH+]c2)CC1 ZINC001160726178 815665758 /nfs/dbraw/zinc/66/57/58/815665758.db2.gz KFJHMUPTNQXDJH-ZDUSSCGKSA-N 3 2 289.383 -0.144 20 0 CBADLP Nc1ccc[nH+]c1N1CCN(C(=O)[C@@H]2COC[NH2+]2)CC1 ZINC001160825604 815675297 /nfs/dbraw/zinc/67/52/97/815675297.db2.gz FKTFWGQBTHZKDG-NSHDSACASA-N 2 2 277.328 -0.742 20 0 CBADLP O=C(N1CCC(n2cccn2)CC1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160845329 815677648 /nfs/dbraw/zinc/67/76/48/815677648.db2.gz CECDVADEKLTQQU-DOMZBBRYSA-N 2 2 289.383 -0.002 20 0 CBADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N(c1ncccn1)C1C[NH2+]C1 ZINC001160915819 815687489 /nfs/dbraw/zinc/68/74/89/815687489.db2.gz NPHKKYJXMIXAGT-NSHDSACASA-N 3 2 287.327 -0.926 20 0 CBADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H]([NH3+])CC(F)(F)C1 ZINC001160967016 815691951 /nfs/dbraw/zinc/69/19/51/815691951.db2.gz IJMCDPJEEFLYFT-CBAPKCEASA-N 3 2 273.287 -0.526 20 0 CBADLP CCn1nnc2c1[C@H](C(=O)N1CC[NH2+][C@H](C)C1)C[NH2+]C2 ZINC001161014313 815694778 /nfs/dbraw/zinc/69/47/78/815694778.db2.gz AHAAAZBIDOXSJE-NXEZZACHSA-N 2 2 278.360 -0.695 20 0 CBADLP CC(=O)[C@H]1CCN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)C1 ZINC001161034274 815701463 /nfs/dbraw/zinc/70/14/63/815701463.db2.gz FNQBNLJRGDNONA-FIQHERPVSA-N 2 2 251.330 -0.626 20 0 CBADLP Cn1nnc(C[NH2+]CCCNC(=O)[C@H]2CCCC[N@@H+]2C)n1 ZINC001161041089 815704410 /nfs/dbraw/zinc/70/44/10/815704410.db2.gz FUBGUYQCWXORLC-LLVKDONJSA-N 2 2 295.391 -0.710 20 0 CBADLP Cn1nnc(C[NH2+]CCCNC(=O)[C@H]2CCCC[N@H+]2C)n1 ZINC001161041089 815704416 /nfs/dbraw/zinc/70/44/16/815704416.db2.gz FUBGUYQCWXORLC-LLVKDONJSA-N 2 2 295.391 -0.710 20 0 CBADLP CN(C(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2)[C@@H]1CCCC[C@H]1[NH3+] ZINC001161058225 815706077 /nfs/dbraw/zinc/70/60/77/815706077.db2.gz PXKDENBZIJLPCF-SFTQSGBHSA-N 3 2 266.389 -0.334 20 0 CBADLP CN(C(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2)C1(C)CC[NH2+]CC1 ZINC001161067741 815706838 /nfs/dbraw/zinc/70/68/38/815706838.db2.gz KXFYDMZYVBJAAN-FZMZJTMJSA-N 3 2 266.389 -0.462 20 0 CBADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@]34CC[C@@H]([NH2+]3)[C@H]([NH3+])C4)C[C@H]21 ZINC001161081015 815708590 /nfs/dbraw/zinc/70/85/90/815708590.db2.gz CEFSPSSNKWBEOE-HVNMYJMUSA-N 3 2 278.400 -0.239 20 0 CBADLP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@]34CC[C@@H]([NH2+]3)[C@H]([NH3+])C4)C[C@H]21 ZINC001161081015 815708596 /nfs/dbraw/zinc/70/85/96/815708596.db2.gz CEFSPSSNKWBEOE-HVNMYJMUSA-N 3 2 278.400 -0.239 20 0 CBADLP CCN(CCC(=O)OC)C(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001161130274 815716963 /nfs/dbraw/zinc/71/69/63/815716963.db2.gz HDHKWQFVESTJLO-MFKMUULPSA-N 2 2 269.345 -0.651 20 0 CBADLP COC(=O)[C@@H]1CCCN(C(=O)C2([NH3+])CC[NH2+]CC2)[C@@H]1C ZINC001161117388 815717583 /nfs/dbraw/zinc/71/75/83/815717583.db2.gz JCIRERCFOHADEM-GHMZBOCLSA-N 2 2 283.372 -0.133 20 0 CBADLP CC(=O)N1CCC[C@@H](N(C)C(=O)C2([NH3+])CC[NH2+]CC2)C1 ZINC001161130424 815717722 /nfs/dbraw/zinc/71/77/22/815717722.db2.gz KWOXQKLWADPHIL-GFCCVEGCSA-N 2 2 282.388 -0.463 20 0 CBADLP COC(=O)[C@]1([NH3+])CCN(C(=O)C2CC[NH2+]CC2)C1 ZINC001161138100 815719092 /nfs/dbraw/zinc/71/90/92/815719092.db2.gz NFQFESJWJGFHRX-LBPRGKRZSA-N 2 2 255.318 -0.911 20 0 CBADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@@H]2C[C@H](C)CC[NH2+]2)C1 ZINC001161138792 815720096 /nfs/dbraw/zinc/72/00/96/815720096.db2.gz ZERWKJWRIAZNET-NRUUGDAUSA-N 2 2 269.345 -0.523 20 0 CBADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)C=C2CC[NH2+]CC2)C1 ZINC001161139104 815720314 /nfs/dbraw/zinc/72/03/14/815720314.db2.gz KXMIEURPVWNJEZ-CYBMUJFWSA-N 2 2 267.329 -0.601 20 0 CBADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@@H]2CC[NH2+]C[C@H]2F)C1 ZINC001161138947 815720713 /nfs/dbraw/zinc/72/07/13/815720713.db2.gz HTABPJIHQICXPC-LNLATYFQSA-N 2 2 273.308 -0.963 20 0 CBADLP CO[C@H](C)C1CN(C(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)C1 ZINC001161147347 815722273 /nfs/dbraw/zinc/72/22/73/815722273.db2.gz WLVZZDDJKYYOON-LDYMZIIASA-N 2 2 252.318 -0.227 20 0 CBADLP CO[C@@H](C)C1CN(C(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)C1 ZINC001161147342 815722382 /nfs/dbraw/zinc/72/23/82/815722382.db2.gz WLVZZDDJKYYOON-GZMMTYOYSA-N 2 2 252.318 -0.227 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCC(C3CC[NH2+]CC3)CC2)C1 ZINC001161207940 815727625 /nfs/dbraw/zinc/72/76/25/815727625.db2.gz FHHWFBFZEJWGQI-KGLIPLIRSA-N 3 2 280.416 -0.086 20 0 CBADLP O=C(NCCC[NH2+]CCCO)[C@@H]1CCn2c[nH+]cc2C1 ZINC001161215488 815728683 /nfs/dbraw/zinc/72/86/83/815728683.db2.gz UHABRNOZRNPLRV-GFCCVEGCSA-N 2 2 280.372 -0.076 20 0 CBADLP COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)[C@H]1CC[C@@H]1[NH3+] ZINC001161237268 815731444 /nfs/dbraw/zinc/73/14/44/815731444.db2.gz KHMRSEFEIWQMAU-LPEHRKFASA-N 2 2 255.318 -0.961 20 0 CBADLP COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)[C@H]1CC[C@@H]1[NH3+] ZINC001161237268 815731449 /nfs/dbraw/zinc/73/14/49/815731449.db2.gz KHMRSEFEIWQMAU-LPEHRKFASA-N 2 2 255.318 -0.961 20 0 CBADLP COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)[C@@H]([NH3+])CC1CCC1 ZINC001161238417 815731623 /nfs/dbraw/zinc/73/16/23/815731623.db2.gz TVRDEGILQZNACO-NWDGAFQWSA-N 2 2 283.372 -0.181 20 0 CBADLP COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H]([NH3+])CC1CCC1 ZINC001161238417 815731628 /nfs/dbraw/zinc/73/16/28/815731628.db2.gz TVRDEGILQZNACO-NWDGAFQWSA-N 2 2 283.372 -0.181 20 0 CBADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CCC[C@@H](n2ccnn2)C1 ZINC001161235030 815731640 /nfs/dbraw/zinc/73/16/40/815731640.db2.gz LLCYVYDBNLUJEZ-QNWHQSFQSA-N 2 2 290.371 -0.609 20 0 CBADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H](n2ccnn2)C1 ZINC001161235702 815731976 /nfs/dbraw/zinc/73/19/76/815731976.db2.gz WHIHQPYUMVXPTQ-NWDGAFQWSA-N 2 2 289.343 -0.265 20 0 CBADLP COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)[C@]1(C)CC[NH2+]C1 ZINC001161236283 815732077 /nfs/dbraw/zinc/73/20/77/815732077.db2.gz CJYACRCJOZYHAI-GXFFZTMASA-N 2 2 269.345 -0.698 20 0 CBADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@]1(C)CC[NH2+]C1 ZINC001161236283 815732081 /nfs/dbraw/zinc/73/20/81/815732081.db2.gz CJYACRCJOZYHAI-GXFFZTMASA-N 2 2 269.345 -0.698 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)[C@@H](C)CO1 ZINC001161235814 815732751 /nfs/dbraw/zinc/73/27/51/815732751.db2.gz ZOJWUPCYNRGCPK-KZZRWZIVSA-N 2 2 253.346 -0.428 20 0 CBADLP Cc1ccnc(N2CCN(C(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)CC2)n1 ZINC001161298175 815738426 /nfs/dbraw/zinc/73/84/26/815738426.db2.gz HVBNLRPYQVPBPI-NEPJUHHUSA-N 2 2 290.371 -0.877 20 0 CBADLP O=C(NCCC[NH2+]CCO)[C@H]1CCn2cc[nH+]c2C1 ZINC001161308666 815738736 /nfs/dbraw/zinc/73/87/36/815738736.db2.gz CNEYJGXQLXIGDE-NSHDSACASA-N 2 2 266.345 -0.466 20 0 CBADLP CCN(C(=O)C[C@H]([NH3+])C(=O)OC)[C@H]1CCC[NH2+]C1 ZINC001161329687 815741512 /nfs/dbraw/zinc/74/15/12/815741512.db2.gz BVJSXGGYWBWYCA-UWVGGRQHSA-N 2 2 257.334 -0.523 20 0 CBADLP CC(C)N(C(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2)[C@H]1CC[NH2+]C1 ZINC001161350667 815746421 /nfs/dbraw/zinc/74/64/21/815746421.db2.gz AZEODHMWLPQJCJ-DYEKYZERSA-N 3 2 266.389 -0.463 20 0 CBADLP COC(=O)[C@]1(C)COCCN1C(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001161372581 815746705 /nfs/dbraw/zinc/74/67/05/815746705.db2.gz LCDXUWILXDOXTN-MFKMUULPSA-N 2 2 296.327 -0.930 20 0 CBADLP CC(C)N(C(=O)C1([NH3+])CC[NH2+]CC1)[C@H]1CC[NH2+]C1 ZINC001161353734 815747586 /nfs/dbraw/zinc/74/75/86/815747586.db2.gz YKQNAQLZTUEOJN-NSHDSACASA-N 3 2 254.378 -0.334 20 0 CBADLP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@]34C[NH2+]C[C@@H]3CC[NH2+]4)C[C@H]12 ZINC001161413348 815751137 /nfs/dbraw/zinc/75/11/37/815751137.db2.gz PJCPUGJKSURKSW-LARJDALCSA-N 3 2 264.373 -0.866 20 0 CBADLP [NH3+][C@@H]1CC[C@H]2CN(C(=O)C3([NH3+])CC[NH2+]CC3)C[C@@H]12 ZINC001161413775 815751686 /nfs/dbraw/zinc/75/16/86/815751686.db2.gz REZGVCZJQDNNKD-HBNTYKKESA-N 3 2 252.362 -0.737 20 0 CBADLP [NH3+][C@@H]1C[C@]2(C(=O)N3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)CC[C@H]1[NH2+]2 ZINC001161412429 815752003 /nfs/dbraw/zinc/75/20/03/815752003.db2.gz KGSFZIPCGGQUNC-DZXXBYIOSA-N 3 2 264.373 -0.596 20 0 CBADLP O=C(C[NH2+]C1CC[NH2+]CC1)N1CC[N@@H+]2CC[C@@H]2C1 ZINC001161421952 815754745 /nfs/dbraw/zinc/75/47/45/815754745.db2.gz YSNDRMFTEVRXNC-GFCCVEGCSA-N 3 2 252.362 -0.756 20 0 CBADLP O=C(C[NH2+]C1CC[NH2+]CC1)N1CC[N@H+]2CC[C@@H]2C1 ZINC001161421952 815754748 /nfs/dbraw/zinc/75/47/48/815754748.db2.gz YSNDRMFTEVRXNC-GFCCVEGCSA-N 3 2 252.362 -0.756 20 0 CBADLP COC(=O)[C@H]1CN(C(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)C[C@@H]1C ZINC001161459198 815756946 /nfs/dbraw/zinc/75/69/46/815756946.db2.gz AIHFWAGFTGNUAB-INTQDDNPSA-N 2 2 280.328 -0.453 20 0 CBADLP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)C1(F)C[NH2+]C1)CC2 ZINC001161476005 815758449 /nfs/dbraw/zinc/75/84/49/815758449.db2.gz AJLUZXCSQWZCJA-CABZTGNLSA-N 2 2 285.319 -0.949 20 0 CBADLP COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)C1(F)C[NH2+]C1)CC2 ZINC001161476006 815758629 /nfs/dbraw/zinc/75/86/29/815758629.db2.gz AJLUZXCSQWZCJA-JOYOIKCWSA-N 2 2 285.319 -0.949 20 0 CBADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)N2C[C@H]([NH3+])C3(COC3)C2)cc1 ZINC001161507282 815764860 /nfs/dbraw/zinc/76/48/60/815764860.db2.gz RTSILXDTIOTKRU-STQMWFEESA-N 3 2 290.367 -0.555 20 0 CBADLP Cc1nc2c(o1)CCN(C(=O)[C@]13C[NH2+]C[C@@H]1CC[NH2+]3)C2 ZINC001161522747 815766749 /nfs/dbraw/zinc/76/67/49/815766749.db2.gz GMHNZWCBMHAHBC-HZMBPMFUSA-N 2 2 276.340 -0.181 20 0 CBADLP CC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001161527206 815767831 /nfs/dbraw/zinc/76/78/31/815767831.db2.gz WXMWXMLTOZLENE-RYUDHWBXSA-N 2 2 264.329 -0.130 20 0 CBADLP Cn1nc2c(c1C(=O)N1CC[NH2+]C3(CC3)C1)C[NH2+]C2 ZINC001161559632 815771682 /nfs/dbraw/zinc/77/16/82/815771682.db2.gz GDOXBYBKMAPJKP-UHFFFAOYSA-N 2 2 261.329 -0.399 20 0 CBADLP CCOC(=O)[C@H]([NH3+])CNc1ccc(N2CC[NH2+]CC2)nn1 ZINC001161945647 815795377 /nfs/dbraw/zinc/79/53/77/815795377.db2.gz MDMVKXBNJJBNGP-SNVBAGLBSA-N 2 2 294.359 -0.812 20 0 CBADLP CC[N@@H+]1CC[C@@H]1C(=O)N1C[C@H](C)[NH+](CCO)C[C@H]1C ZINC001162250454 815810807 /nfs/dbraw/zinc/81/08/07/815810807.db2.gz ZMYGFMBXXQUSDQ-YNEHKIRRSA-N 2 2 269.389 -0.006 20 0 CBADLP CC[N@H+]1CC[C@@H]1C(=O)N1C[C@H](C)[NH+](CCO)C[C@H]1C ZINC001162250454 815810816 /nfs/dbraw/zinc/81/08/16/815810816.db2.gz ZMYGFMBXXQUSDQ-YNEHKIRRSA-N 2 2 269.389 -0.006 20 0 CBADLP CC[NH+]1CC[C@@H]1C(=O)N1C[C@H](C)[N@H+](CCO)C[C@H]1C ZINC001162250454 815810825 /nfs/dbraw/zinc/81/08/25/815810825.db2.gz ZMYGFMBXXQUSDQ-YNEHKIRRSA-N 2 2 269.389 -0.006 20 0 CBADLP CC[NH+]1CC[C@@H]1C(=O)N1C[C@H](C)[N@@H+](CCO)C[C@H]1C ZINC001162250454 815810834 /nfs/dbraw/zinc/81/08/34/815810834.db2.gz ZMYGFMBXXQUSDQ-YNEHKIRRSA-N 2 2 269.389 -0.006 20 0 CBADLP C[N@@H+]1CCO[C@@H](CNc2cnc(O[C@H]3CC[NH2+]C3)nc2)C1 ZINC001162689114 815841135 /nfs/dbraw/zinc/84/11/35/815841135.db2.gz ZLZVIQYEMDRIQX-STQMWFEESA-N 2 2 293.371 -0.040 20 0 CBADLP C[N@H+]1CCO[C@@H](CNc2cnc(O[C@H]3CC[NH2+]C3)nc2)C1 ZINC001162689114 815841144 /nfs/dbraw/zinc/84/11/44/815841144.db2.gz ZLZVIQYEMDRIQX-STQMWFEESA-N 2 2 293.371 -0.040 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)NCCC[NH2+][C@@H]1CCNC1=O ZINC001163044269 815855161 /nfs/dbraw/zinc/85/51/61/815855161.db2.gz RRUCYUMCFPAIGH-LLVKDONJSA-N 2 2 293.371 -0.663 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)NCCC[NH2+]CCCO ZINC001163051306 815855269 /nfs/dbraw/zinc/85/52/69/815855269.db2.gz VSQRFJFMOGNGNT-UHFFFAOYSA-N 2 2 268.361 -0.169 20 0 CBADLP CCN(C)c1cc(N[C@]23CC[NH2+][C@H]2CC(=O)N3)nc[nH+]1 ZINC001163237418 815868814 /nfs/dbraw/zinc/86/88/14/815868814.db2.gz KYGPVXVVOBCAOA-ZANVPECISA-N 2 2 276.344 -0.077 20 0 CBADLP C[N@@H+]1CCc2ncnc(N[C@@]34CC[NH2+][C@@H]3CC(=O)N4)c2C1 ZINC001163242876 815871463 /nfs/dbraw/zinc/87/14/63/815871463.db2.gz RBOJNXQNXNRVBJ-RISCZKNCSA-N 2 2 288.355 -0.546 20 0 CBADLP C[N@H+]1CCc2ncnc(N[C@@]34CC[NH2+][C@@H]3CC(=O)N4)c2C1 ZINC001163242876 815871475 /nfs/dbraw/zinc/87/14/75/815871475.db2.gz RBOJNXQNXNRVBJ-RISCZKNCSA-N 2 2 288.355 -0.546 20 0 CBADLP O=C1C[C@H]2[NH2+]CC[C@@]2(Nc2c[nH+]c3c(c2)CCCN3)N1 ZINC001163253538 815875089 /nfs/dbraw/zinc/87/50/89/815875089.db2.gz GKJHNNWJMMIMSG-BXUZGUMPSA-N 2 2 273.340 -0.283 20 0 CBADLP CC[C@H]([NH2+]CCCNC(=O)CCn1cc[nH+]c1)C(N)=O ZINC001163593109 815890168 /nfs/dbraw/zinc/89/01/68/815890168.db2.gz DKYQCULNXXCIMX-NSHDSACASA-N 2 2 281.360 -0.367 20 0 CBADLP CCCNC(=O)C[NH2+]CCCNC(=O)CCn1cc[nH+]c1 ZINC001163594316 815890939 /nfs/dbraw/zinc/89/09/39/815890939.db2.gz WCFQKYRJUDONET-UHFFFAOYSA-N 2 2 295.387 -0.105 20 0 CBADLP O=C(CCn1cc[nH+]c1)NCCC[NH2+]CC(=O)NC1CC1 ZINC001163593579 815891025 /nfs/dbraw/zinc/89/10/25/815891025.db2.gz LLPPQMTVMOGTAY-UHFFFAOYSA-N 2 2 293.371 -0.352 20 0 CBADLP O=C(CCn1cc[nH+]c1)NCCC[NH2+][C@@H]1CCCNC1=O ZINC001163593992 815891149 /nfs/dbraw/zinc/89/11/49/815891149.db2.gz QCHFCUIGSYHPCM-GFCCVEGCSA-N 2 2 293.371 -0.352 20 0 CBADLP CC[C@@H](C(=O)NCCCNC(=O)Cc1[nH]cc[nH+]1)[NH+](C)C ZINC001293493570 816519320 /nfs/dbraw/zinc/51/93/20/816519320.db2.gz JXAHYFBWIFAOOG-NSHDSACASA-N 2 2 295.387 -0.085 20 0 CBADLP C[NH+]1CCN(C(=O)CC[NH2+]Cc2nc(CO)cs2)CC1 ZINC001308251614 816823501 /nfs/dbraw/zinc/82/35/01/816823501.db2.gz WSHRPFBLYJZOIK-UHFFFAOYSA-N 2 2 298.412 -0.111 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC[C@H]1C[C@@H]([NH2+]CCO)C1 ZINC001316623629 816872243 /nfs/dbraw/zinc/87/22/43/816872243.db2.gz WFHJBRDHHOYLKD-PHIMTYICSA-N 2 2 266.345 -0.561 20 0 CBADLP C[C@@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001316636662 816873311 /nfs/dbraw/zinc/87/33/11/816873311.db2.gz QGLDEAKMKHGQHT-GMTAPVOTSA-N 2 2 266.345 -0.183 20 0 CBADLP C[C@H](O)C[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001316982983 816915132 /nfs/dbraw/zinc/91/51/32/816915132.db2.gz MMYFQWUYNNLQPD-CMPLNLGQSA-N 2 2 266.345 -0.086 20 0 CBADLP C[C@H](O)C[N@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001316982983 816915134 /nfs/dbraw/zinc/91/51/34/816915134.db2.gz MMYFQWUYNNLQPD-CMPLNLGQSA-N 2 2 266.345 -0.086 20 0 CBADLP C[C@H](O)C[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001316982983 816915141 /nfs/dbraw/zinc/91/51/41/816915141.db2.gz MMYFQWUYNNLQPD-CMPLNLGQSA-N 2 2 266.345 -0.086 20 0 CBADLP C[C@H](O)C[N@H+]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001316982983 816915146 /nfs/dbraw/zinc/91/51/46/816915146.db2.gz MMYFQWUYNNLQPD-CMPLNLGQSA-N 2 2 266.345 -0.086 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@H]([NH2+]CCCO)C1 ZINC001317063496 816925458 /nfs/dbraw/zinc/92/54/58/816925458.db2.gz AJLCYNJRXZBXLN-JTQLQIEISA-N 2 2 252.318 -0.475 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)NC[C@@H]1CC[N@@H+](CCO)C1 ZINC001317520091 817003372 /nfs/dbraw/zinc/00/33/72/817003372.db2.gz JERRYJXDKABZKA-NSHDSACASA-N 2 2 266.345 -0.227 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)NC[C@@H]1CC[N@H+](CCO)C1 ZINC001317520091 817003378 /nfs/dbraw/zinc/00/33/78/817003378.db2.gz JERRYJXDKABZKA-NSHDSACASA-N 2 2 266.345 -0.227 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)NC[C@@H]1CC[N@@H+](CCO)C1 ZINC001317520091 817003385 /nfs/dbraw/zinc/00/33/85/817003385.db2.gz JERRYJXDKABZKA-NSHDSACASA-N 2 2 266.345 -0.227 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)NC[C@@H]1CC[N@H+](CCO)C1 ZINC001317520091 817003393 /nfs/dbraw/zinc/00/33/93/817003393.db2.gz JERRYJXDKABZKA-NSHDSACASA-N 2 2 266.345 -0.227 20 0 CBADLP C[C@H]1CC[N@H+](CC(=O)N(C)CC[NH2+]Cc2cnon2)C1 ZINC001317625885 817032911 /nfs/dbraw/zinc/03/29/11/817032911.db2.gz KCHKOAMSJSGHJV-NSHDSACASA-N 2 2 281.360 -0.041 20 0 CBADLP C[C@H]1CC[N@@H+](CC(=O)N(C)CC[NH2+]Cc2cnon2)C1 ZINC001317625885 817032918 /nfs/dbraw/zinc/03/29/18/817032918.db2.gz KCHKOAMSJSGHJV-NSHDSACASA-N 2 2 281.360 -0.041 20 0 CBADLP C[N@@H+]1CCC[C@H]1CCC(=O)NC1C[NH+](CCO)C1 ZINC001318034935 817068105 /nfs/dbraw/zinc/06/81/05/817068105.db2.gz ZHLJMGYGBGMGIX-LBPRGKRZSA-N 2 2 255.362 -0.347 20 0 CBADLP C[N@H+]1CCC[C@H]1CCC(=O)NC1C[NH+](CCO)C1 ZINC001318034935 817068112 /nfs/dbraw/zinc/06/81/12/817068112.db2.gz ZHLJMGYGBGMGIX-LBPRGKRZSA-N 2 2 255.362 -0.347 20 0 CBADLP COCCOCC[NH+]1CC(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001318059649 817069996 /nfs/dbraw/zinc/06/99/96/817069996.db2.gz SEBYCAGIZRBWQE-UHFFFAOYSA-N 2 2 299.415 -0.208 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)N[C@H]1CC[N@@H+](CCCO)C1 ZINC001318257919 817091858 /nfs/dbraw/zinc/09/18/58/817091858.db2.gz XIYVIVKUJZSCLG-LBPRGKRZSA-N 2 2 266.345 -0.085 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)N[C@H]1CC[N@H+](CCCO)C1 ZINC001318257919 817091865 /nfs/dbraw/zinc/09/18/65/817091865.db2.gz XIYVIVKUJZSCLG-LBPRGKRZSA-N 2 2 266.345 -0.085 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)N[C@H]1CC[N@@H+](CCCO)C1 ZINC001318257919 817091872 /nfs/dbraw/zinc/09/18/72/817091872.db2.gz XIYVIVKUJZSCLG-LBPRGKRZSA-N 2 2 266.345 -0.085 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)N[C@H]1CC[N@H+](CCCO)C1 ZINC001318257919 817091877 /nfs/dbraw/zinc/09/18/77/817091877.db2.gz XIYVIVKUJZSCLG-LBPRGKRZSA-N 2 2 266.345 -0.085 20 0 CBADLP C[C@@H](O)C[NH2+]C[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001319114261 817167318 /nfs/dbraw/zinc/16/73/18/817167318.db2.gz XGCHQRGEQNRWMR-ZYHUDNBSSA-N 2 2 266.345 -0.086 20 0 CBADLP CCNC(=O)C[NH2+]CCN(CC)C(=O)Cc1[nH]c[nH+]c1C ZINC001320902687 817408154 /nfs/dbraw/zinc/40/81/54/817408154.db2.gz KYHWBXHDHRCMPV-UHFFFAOYSA-N 2 2 295.387 -0.165 20 0 CBADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CC[C@H](CO)[C@H](O)C1 ZINC001253390419 825911954 /nfs/dbraw/zinc/91/19/54/825911954.db2.gz SSAYUHWUOYJIMU-IJLUTSLNSA-N 2 2 260.378 -0.590 20 0 CBADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CC[C@H](CO)[C@H](O)C1 ZINC001253390419 825911957 /nfs/dbraw/zinc/91/19/57/825911957.db2.gz SSAYUHWUOYJIMU-IJLUTSLNSA-N 2 2 260.378 -0.590 20 0 CBADLP C[NH+](C)C1CN(c2cc(N3CCC[C@@H]3C(N)=O)[nH+]cn2)C1 ZINC001163942759 819871701 /nfs/dbraw/zinc/87/17/01/819871701.db2.gz NWYYVIFGIVYUII-LLVKDONJSA-N 2 2 290.371 -0.319 20 0 CBADLP CN1CCN(c2cc(N3CC[C@H]([NH3+])C3)nc[nH+]2)CC1=O ZINC001164279349 819897208 /nfs/dbraw/zinc/89/72/08/819897208.db2.gz PRUXEXMXMLYDNP-JTQLQIEISA-N 2 2 276.344 -0.708 20 0 CBADLP O=C1CN(c2ccc(N3CC[NH2+]CC3)c[nH+]2)CCCN1 ZINC001164280075 819897309 /nfs/dbraw/zinc/89/73/09/819897309.db2.gz UMDOQKUEHWBEEK-UHFFFAOYSA-N 2 2 275.356 -0.183 20 0 CBADLP COC(=O)[C@@H]1C[C@H](Nc2cccnc2OC2C[NH2+]C2)C[NH2+]1 ZINC001164312002 819907535 /nfs/dbraw/zinc/90/75/35/819907535.db2.gz IMIZRRFNQMCAKK-CABZTGNLSA-N 2 2 292.339 -0.252 20 0 CBADLP C[NH+]1CCC(NC(=O)c2ccc(NOCC[NH3+])nn2)CC1 ZINC001164423673 819914132 /nfs/dbraw/zinc/91/41/32/819914132.db2.gz IUIOJHXCJJHHJF-UHFFFAOYSA-N 2 2 294.359 -0.397 20 0 CBADLP O=C(NCCC[NH2+]CCO)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001164491520 819916296 /nfs/dbraw/zinc/91/62/96/819916296.db2.gz JLBCCAOPZKPHIA-AWEZNQCLSA-N 2 2 299.415 -0.282 20 0 CBADLP O=C(NCCC[NH2+]CCO)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001164491520 819916302 /nfs/dbraw/zinc/91/63/02/819916302.db2.gz JLBCCAOPZKPHIA-AWEZNQCLSA-N 2 2 299.415 -0.282 20 0 CBADLP FC1(F)C[NH2+]CCN(c2ccc(N3CC[NH2+]CC3)nn2)C1 ZINC001164488300 819917008 /nfs/dbraw/zinc/91/70/08/819917008.db2.gz DAQOEDQLPRYAKT-UHFFFAOYSA-N 2 2 298.341 -0.069 20 0 CBADLP O[C@@H]1COCCN(c2ccc(N3CC[NH2+]CC3)c[nH+]2)C1 ZINC001164511917 819917694 /nfs/dbraw/zinc/91/76/94/819917694.db2.gz PEQROZKCWUHDOJ-ZDUSSCGKSA-N 2 2 278.356 -0.311 20 0 CBADLP NC(=O)[C@@H]1CCCN1c1cc(N2C[C@@H]3C[C@]3([NH3+])C2)nc[nH+]1 ZINC001165316819 819956056 /nfs/dbraw/zinc/95/60/56/819956056.db2.gz QKPVGHCYPODJSZ-BHDSKKPTSA-N 2 2 288.355 -0.532 20 0 CBADLP COC(=O)C1([NH3+])CCN(c2ncc3c(n2)C[NH2+]C3)CC1 ZINC001166797138 820038252 /nfs/dbraw/zinc/03/82/52/820038252.db2.gz ILYBLMYPMDETDG-UHFFFAOYSA-N 2 2 277.328 -0.450 20 0 CBADLP NC(=O)[C@@H]1CCCN1c1cc(N2C[C@@H]([NH3+])[C@@H](F)C2)nc[nH+]1 ZINC001166929597 820046208 /nfs/dbraw/zinc/04/62/08/820046208.db2.gz FWLWEOCHBSKMJE-AEJSXWLSSA-N 2 2 294.334 -0.584 20 0 CBADLP CN(C)c1cc(N2C[C@H]3COC[C@@H](C2)C3[NH3+])nc[nH+]1 ZINC001167183779 820073376 /nfs/dbraw/zinc/07/33/76/820073376.db2.gz DJEBOZFBUKPXDR-HWYHXSKPSA-N 2 2 263.345 -0.048 20 0 CBADLP CN(C)c1cc(N2C[C@H]3COC[C@@H](C2)C3[NH3+])[nH+]cn1 ZINC001167183779 820073387 /nfs/dbraw/zinc/07/33/87/820073387.db2.gz DJEBOZFBUKPXDR-HWYHXSKPSA-N 2 2 263.345 -0.048 20 0 CBADLP C[C@@H]([NH2+]CC1(CCNC(=O)Cc2c[nH]c[nH+]2)CC1)C(N)=O ZINC001167331322 820080254 /nfs/dbraw/zinc/08/02/54/820080254.db2.gz FDZUGJHQJPMKHW-SNVBAGLBSA-N 2 2 293.371 -0.298 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001167346107 820081213 /nfs/dbraw/zinc/08/12/13/820081213.db2.gz HIWFMVUQPXFCDE-VIFPVBQESA-N 2 2 267.333 -0.817 20 0 CBADLP O=C(C[NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1)NCC1CC1 ZINC001167355339 820085149 /nfs/dbraw/zinc/08/51/49/820085149.db2.gz CEZIGPOJUFNGQL-UHFFFAOYSA-N 2 2 293.371 -0.426 20 0 CBADLP Cn1cc(C[NH2+]CCCNC(=O)Cc2c[nH]c[nH+]2)nn1 ZINC001167355743 820086967 /nfs/dbraw/zinc/08/69/67/820086967.db2.gz YQPRQOZELALYNK-UHFFFAOYSA-N 2 2 277.332 -0.623 20 0 CBADLP C[C@@H](CC(=O)NCCC[NH2+]CCO)n1cc[nH+]c1 ZINC001167429819 820090385 /nfs/dbraw/zinc/09/03/85/820090385.db2.gz YDEKBJAEKMAFKT-NSHDSACASA-N 2 2 254.334 -0.078 20 0 CBADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCC[NH2+][C@@H](C)C(N)=O ZINC001167978348 820137833 /nfs/dbraw/zinc/13/78/33/820137833.db2.gz MMJAJEWXAFIXSR-UWVGGRQHSA-N 2 2 281.360 -0.442 20 0 CBADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCC[NH2+][C@@H](C)C(N)=O ZINC001167978348 820137837 /nfs/dbraw/zinc/13/78/37/820137837.db2.gz MMJAJEWXAFIXSR-UWVGGRQHSA-N 2 2 281.360 -0.442 20 0 CBADLP C[C@@H]([NH2+]CC1(CCNC(=O)Cn2cc[nH+]c2)CC1)C(N)=O ZINC001168493013 820163619 /nfs/dbraw/zinc/16/36/19/820163619.db2.gz GXYFWWMTGYGVRZ-LLVKDONJSA-N 2 2 293.371 -0.367 20 0 CBADLP NC(=O)C[NH2+]CC1(CCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001168500027 820164144 /nfs/dbraw/zinc/16/41/44/820164144.db2.gz OYIMWOTVSGPZDW-UHFFFAOYSA-N 2 2 279.344 -0.756 20 0 CBADLP C[NH+]1CCN(C(=[NH2+])Nc2ncnc3c2CC(=O)N3)CC1 ZINC001168736678 820169061 /nfs/dbraw/zinc/16/90/61/820169061.db2.gz PEZNUFHJCLXFAD-UHFFFAOYSA-N 2 2 275.316 -0.435 20 0 CBADLP C[NH+]1CCN(C(=[NH2+])Nc2ccc(-c3nn[nH]n3)nc2)CC1 ZINC001168736859 820169857 /nfs/dbraw/zinc/16/98/57/820169857.db2.gz LPRGLUVXUOCRBM-UHFFFAOYSA-N 2 2 287.331 -0.144 20 0 CBADLP C[NH+]1CCN(C(=[NH2+])Nc2cncn3cnnc23)CC1 ZINC001168740452 820172551 /nfs/dbraw/zinc/17/25/51/820172551.db2.gz JZDMAUFZPIZTLX-UHFFFAOYSA-N 2 2 260.305 -0.282 20 0 CBADLP [NH3+]Cc1nnnn1-c1ccc(Cn2cc[nH+]c2)cn1 ZINC001168920801 820192823 /nfs/dbraw/zinc/19/28/23/820192823.db2.gz KIJLZGVVOZUFNE-UHFFFAOYSA-N 2 2 256.273 -0.239 20 0 CBADLP COC(=O)c1nc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)cnc1C ZINC001169071176 820203331 /nfs/dbraw/zinc/20/33/31/820203331.db2.gz GHHGVRNAVOVEGD-SECBINFHSA-N 2 2 291.311 -0.381 20 0 CBADLP Nc1cc(Cl)nc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001169071192 820203479 /nfs/dbraw/zinc/20/34/79/820203479.db2.gz GYJVIKRCUBPFKK-ZCFIWIBFSA-N 2 2 268.708 -0.240 20 0 CBADLP COCc1cnc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nc1 ZINC001169067015 820204012 /nfs/dbraw/zinc/20/40/12/820204012.db2.gz KZMZXOGSHJSCLP-SNVBAGLBSA-N 2 2 263.301 -0.329 20 0 CBADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ncc2cc[nH]c2n1 ZINC001169071773 820204464 /nfs/dbraw/zinc/20/44/64/820204464.db2.gz KLXZAHAOMXIAAC-SECBINFHSA-N 2 2 258.285 -0.043 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](Nc2cnc(C[NH3+])nc2)C[NH2+]1 ZINC001169131988 820210225 /nfs/dbraw/zinc/21/02/25/820210225.db2.gz AMAAXHFSZIAMDC-APPZFPTMSA-N 2 2 251.290 -0.749 20 0 CBADLP CCCNC(=O)C[NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001169204067 820215227 /nfs/dbraw/zinc/21/52/27/820215227.db2.gz GSBRDCFNSJWAHJ-UHFFFAOYSA-N 2 2 281.360 -0.426 20 0 CBADLP CC(=O)N1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)C[NH+](C)C)C2)C1 ZINC001169564743 820257131 /nfs/dbraw/zinc/25/71/31/820257131.db2.gz ZOSBXMMIYJEWRQ-ZIAGYGMSSA-N 2 2 296.415 -0.251 20 0 CBADLP CC(=O)N1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)C[NH+](C)C)C2)C1 ZINC001169564743 820257134 /nfs/dbraw/zinc/25/71/34/820257134.db2.gz ZOSBXMMIYJEWRQ-ZIAGYGMSSA-N 2 2 296.415 -0.251 20 0 CBADLP O=C(NCCC[NH2+]CCO)c1cc(-n2cc[nH+]c2)ccn1 ZINC001170088826 820277086 /nfs/dbraw/zinc/27/70/86/820277086.db2.gz AZIZHATZCXCQIP-UHFFFAOYSA-N 2 2 289.339 -0.031 20 0 CBADLP CC[N@H+](C)CCC(=O)NCCC[NH2+]Cc1nnn(C)n1 ZINC001170210566 820280492 /nfs/dbraw/zinc/28/04/92/820280492.db2.gz CXOQDOBLSDIYMB-UHFFFAOYSA-N 2 2 283.380 -0.852 20 0 CBADLP CC[N@@H+](C)CCC(=O)NCCC[NH2+]Cc1nnn(C)n1 ZINC001170210566 820280498 /nfs/dbraw/zinc/28/04/98/820280498.db2.gz CXOQDOBLSDIYMB-UHFFFAOYSA-N 2 2 283.380 -0.852 20 0 CBADLP Cc1c(CC[NH3+])c(=O)[nH]n1-c1cc2c(nn1)C[NH2+]C2 ZINC001170338227 820288451 /nfs/dbraw/zinc/28/84/51/820288451.db2.gz PROFUDKEOASFFP-UHFFFAOYSA-N 2 2 260.301 -0.219 20 0 CBADLP CN1CCN(c2cc(N[C@H]([NH3+])CCC[NH3+])nc[nH+]2)CC1=O ZINC001170898779 820336083 /nfs/dbraw/zinc/33/60/83/820336083.db2.gz VXHJASQKHPAVPY-JTQLQIEISA-N 3 2 293.375 -0.809 20 0 CBADLP C[C@H](O)C[NH2+]CCCNC(=O)Cc1c[nH+]cn1C ZINC001171238030 820353766 /nfs/dbraw/zinc/35/37/66/820353766.db2.gz KPAPIVXLMWOMGG-JTQLQIEISA-N 2 2 254.334 -0.561 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NCCC[NH2+][C@@H]1CCCNC1=O ZINC001171238495 820354275 /nfs/dbraw/zinc/35/42/75/820354275.db2.gz QGQLNZIQZBEKCO-GFCCVEGCSA-N 2 2 293.371 -0.663 20 0 CBADLP CCNC(=O)C[NH2+]CCCNC(=O)Cc1c[nH+]cn1C ZINC001171238537 820355164 /nfs/dbraw/zinc/35/51/64/820355164.db2.gz SDNMIZMEBHCYML-UHFFFAOYSA-N 2 2 281.360 -0.805 20 0 CBADLP COC(=O)[C@@H]1C[N@H+](C)CCN1C1C[C@@H]2COC[C@H](C1)[NH+]2C ZINC001172142950 820384854 /nfs/dbraw/zinc/38/48/54/820384854.db2.gz OGGYJAUBXYTEDK-GSPSYOTPSA-N 2 2 297.399 -0.363 20 0 CBADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1C1C[C@@H]2COC[C@H](C1)[NH+]2C ZINC001172142950 820384864 /nfs/dbraw/zinc/38/48/64/820384864.db2.gz OGGYJAUBXYTEDK-GSPSYOTPSA-N 2 2 297.399 -0.363 20 0 CBADLP COC(=O)[C@@H]1C[NH+](C)CCN1C1C[C@@H]2COC[C@H](C1)[N@@H+]2C ZINC001172142950 820384874 /nfs/dbraw/zinc/38/48/74/820384874.db2.gz OGGYJAUBXYTEDK-GSPSYOTPSA-N 2 2 297.399 -0.363 20 0 CBADLP COC(=O)[C@@H]1C[NH+](C)CCN1C1C[C@@H]2COC[C@H](C1)[N@H+]2C ZINC001172142950 820384886 /nfs/dbraw/zinc/38/48/86/820384886.db2.gz OGGYJAUBXYTEDK-GSPSYOTPSA-N 2 2 297.399 -0.363 20 0 CBADLP [NH3+]C[C@@H]1C[N@@H+]([C@H]2CCN3C(=O)CC[C@@H]3C2)CCO1 ZINC001172150771 820386728 /nfs/dbraw/zinc/38/67/28/820386728.db2.gz PRZOVGZXKFGPKG-QJPTWQEYSA-N 2 2 253.346 -0.201 20 0 CBADLP [NH3+]C[C@@H]1C[N@H+]([C@H]2CCN3C(=O)CC[C@@H]3C2)CCO1 ZINC001172150771 820386736 /nfs/dbraw/zinc/38/67/36/820386736.db2.gz PRZOVGZXKFGPKG-QJPTWQEYSA-N 2 2 253.346 -0.201 20 0 CBADLP C[NH+]1CCN(C(=[NH2+])N[C@H]2CCN3C(=O)CC[C@@H]3C2)CC1 ZINC001172172003 820388552 /nfs/dbraw/zinc/38/85/52/820388552.db2.gz QBMLITIIZBKTFH-NWDGAFQWSA-N 2 2 279.388 -0.088 20 0 CBADLP COC(=O)N1CCC(NC(=[NH2+])N2CC[NH+](C)CC2)CC1 ZINC001172732144 820396754 /nfs/dbraw/zinc/39/67/54/820396754.db2.gz JHFBSTRAVXLECC-UHFFFAOYSA-N 2 2 283.376 -0.011 20 0 CBADLP C[NH+]1CCN(C(=[NH2+])N[C@H]2CCC[C@@H](n3ncnn3)C2)CC1 ZINC001173743798 820410318 /nfs/dbraw/zinc/41/03/18/820410318.db2.gz RAWSVNCYCSVWDD-NWDGAFQWSA-N 2 2 292.391 -0.071 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCCC[NH2+]CC(=O)N(C)C ZINC001174682799 820415058 /nfs/dbraw/zinc/41/50/58/820415058.db2.gz NRVJZRZNJJGZDZ-UHFFFAOYSA-N 2 2 281.360 -0.555 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCCC[NH2+][C@H]1CCN(C)C1=O ZINC001174692597 820416031 /nfs/dbraw/zinc/41/60/31/820416031.db2.gz WFNZDKIMTRXAJN-NSHDSACASA-N 2 2 293.371 -0.413 20 0 CBADLP CCNC(=O)C[NH2+]CCCNC(=O)CCc1c[nH+]cn1C ZINC001175003081 820419811 /nfs/dbraw/zinc/41/98/11/820419811.db2.gz OEMXMTFDVMLEIQ-UHFFFAOYSA-N 2 2 295.387 -0.415 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)NCCC[NH2+]CCOCCO ZINC001175002254 820420171 /nfs/dbraw/zinc/42/01/71/820420171.db2.gz DTHOZAWHRDZRLH-UHFFFAOYSA-N 2 2 298.387 -0.543 20 0 CBADLP O=C(NCCC[NH2+]CCO)[C@H](C1CC1)[NH+]1CCOCC1 ZINC001176675585 820456405 /nfs/dbraw/zinc/45/64/05/820456405.db2.gz KKWZUKZLCGDLFK-ZDUSSCGKSA-N 2 2 285.388 -0.815 20 0 CBADLP C[C@@H](O)C[NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+]1CCOCC1 ZINC001176675718 820456570 /nfs/dbraw/zinc/45/65/70/820456570.db2.gz LZXBVYOEDYVAQN-TZMCWYRMSA-N 2 2 299.415 -0.426 20 0 CBADLP C[C@@H](CCCC[NH2+]CC(N)=O)NC(=O)Cn1cc[nH+]c1 ZINC001176829853 820459941 /nfs/dbraw/zinc/45/99/41/820459941.db2.gz RRHFUWJVZBGLOO-NSHDSACASA-N 2 2 281.360 -0.367 20 0 CBADLP C[NH+](C)CCC(=O)N1CC[C@H]2OCC[N@H+](CCCO)[C@H]2C1 ZINC001177089322 820492602 /nfs/dbraw/zinc/49/26/02/820492602.db2.gz RLSHTRVIKNQIDM-UONOGXRCSA-N 2 2 299.415 -0.378 20 0 CBADLP C[NH+](C)CCC(=O)N1CC[C@H]2OCC[N@@H+](CCCO)[C@H]2C1 ZINC001177089322 820492607 /nfs/dbraw/zinc/49/26/07/820492607.db2.gz RLSHTRVIKNQIDM-UONOGXRCSA-N 2 2 299.415 -0.378 20 0 CBADLP COC[C@H](O)C[NH2+]CCCNC(=O)CCCn1cc[nH+]c1 ZINC001177351478 820506418 /nfs/dbraw/zinc/50/64/18/820506418.db2.gz DOKYFOQVXBNTOL-CYBMUJFWSA-N 2 2 298.387 -0.234 20 0 CBADLP Cc1nnc(C[NH2+]CCCNC(=O)Cn2cc[nH+]c2)o1 ZINC001177400208 820510521 /nfs/dbraw/zinc/51/05/21/820510521.db2.gz FGKFYWBRCXQBFK-UHFFFAOYSA-N 2 2 278.316 -0.129 20 0 CBADLP C[C@H]([NH2+]CCCNC(=O)Cn1cc[nH+]c1)c1nnnn1C ZINC001177404477 820511326 /nfs/dbraw/zinc/51/13/26/820511326.db2.gz BEXXKRXNJMNYMZ-JTQLQIEISA-N 2 2 292.347 -0.736 20 0 CBADLP CC(C)CNC(=O)C[NH2+]CCCNC(=O)Cn1cc[nH+]c1 ZINC001177404866 820511490 /nfs/dbraw/zinc/51/14/90/820511490.db2.gz IOMYTWKZZAXOKN-UHFFFAOYSA-N 2 2 295.387 -0.249 20 0 CBADLP CCCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)Cn1cc[nH+]c1 ZINC001177414510 820515389 /nfs/dbraw/zinc/51/53/89/820515389.db2.gz DMAXWIFEJRSGFS-GFCCVEGCSA-N 2 2 295.387 -0.106 20 0 CBADLP CNC(=O)C[NH2+][C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)[C@H]1C ZINC001178566437 820592249 /nfs/dbraw/zinc/59/22/49/820592249.db2.gz BYYDDSGWULXPEQ-QWRGUYRKSA-N 2 2 293.371 -0.333 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N1CC([NH2+]C2COC2)C1 ZINC001179462031 820629557 /nfs/dbraw/zinc/62/95/57/820629557.db2.gz SRYPVHIWYUFBEC-UHFFFAOYSA-N 2 2 250.302 -0.609 20 0 CBADLP NC(=O)C[NH2+]CCCCCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001179902576 820645029 /nfs/dbraw/zinc/64/50/29/820645029.db2.gz NAWNOCHKVOYAEQ-UHFFFAOYSA-N 2 2 281.360 -0.296 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NCCCCCC[NH2+]CC(N)=O ZINC001180065352 820650783 /nfs/dbraw/zinc/65/07/83/820650783.db2.gz OMDJDLKYOUCPFG-UHFFFAOYSA-N 2 2 295.387 -0.286 20 0 CBADLP CNC(=O)C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@H]1C ZINC001180280092 820665399 /nfs/dbraw/zinc/66/53/99/820665399.db2.gz RVVRSDJWGIZAOI-QWRGUYRKSA-N 2 2 279.344 -0.792 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@H]1C ZINC001180288445 820666096 /nfs/dbraw/zinc/66/60/96/820666096.db2.gz XUQSGIBVILCGPA-SRVKXCTJSA-N 2 2 293.371 -0.403 20 0 CBADLP C[C@@H](C(=O)NC[C@@H]1C[N@H+](C)CCO1)[NH+]1CCCC1 ZINC001180585146 820696824 /nfs/dbraw/zinc/69/68/24/820696824.db2.gz NLNNZKZXEAUCRK-NWDGAFQWSA-N 2 2 255.362 -0.083 20 0 CBADLP C[C@@H](C(=O)NC[C@@H]1C[N@@H+](C)CCO1)[NH+]1CCCC1 ZINC001180585146 820696827 /nfs/dbraw/zinc/69/68/27/820696827.db2.gz NLNNZKZXEAUCRK-NWDGAFQWSA-N 2 2 255.362 -0.083 20 0 CBADLP C[C@H](C(=O)NC[C@H]1C[N@H+](C)CCO1)[NH+]1CCCC1 ZINC001180585144 820697203 /nfs/dbraw/zinc/69/72/03/820697203.db2.gz NLNNZKZXEAUCRK-NEPJUHHUSA-N 2 2 255.362 -0.083 20 0 CBADLP C[C@H](C(=O)NC[C@H]1C[N@@H+](C)CCO1)[NH+]1CCCC1 ZINC001180585144 820697207 /nfs/dbraw/zinc/69/72/07/820697207.db2.gz NLNNZKZXEAUCRK-NEPJUHHUSA-N 2 2 255.362 -0.083 20 0 CBADLP Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001180760221 820717436 /nfs/dbraw/zinc/71/74/36/820717436.db2.gz MUGXATSMZLLWKQ-SNVBAGLBSA-N 2 2 265.317 -0.900 20 0 CBADLP Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001180760221 820717443 /nfs/dbraw/zinc/71/74/43/820717443.db2.gz MUGXATSMZLLWKQ-SNVBAGLBSA-N 2 2 265.317 -0.900 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)n2ccc([C@H]3CCC[NH2+]3)nc2=N)C1 ZINC001180759596 820718705 /nfs/dbraw/zinc/71/87/05/820718705.db2.gz QGDIRSJQDNTNEW-ZYHUDNBSSA-N 2 2 291.355 -0.242 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)n2ccc([C@H]3CCC[NH2+]3)nc2=N)C1 ZINC001180759596 820718714 /nfs/dbraw/zinc/71/87/14/820718714.db2.gz QGDIRSJQDNTNEW-ZYHUDNBSSA-N 2 2 291.355 -0.242 20 0 CBADLP COCCN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CC[NH+](C)CC1 ZINC001180761466 820720798 /nfs/dbraw/zinc/72/07/98/820720798.db2.gz ZKRLJAOICHTQDV-CQSZACIVSA-N 2 2 299.415 -0.114 20 0 CBADLP COCCN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CC[NH+](C)CC1 ZINC001180761466 820720799 /nfs/dbraw/zinc/72/07/99/820720799.db2.gz ZKRLJAOICHTQDV-CQSZACIVSA-N 2 2 299.415 -0.114 20 0 CBADLP C[NH+](C)C1(C(=O)NCC[NH+]2CC3(COC3)C2)CC1 ZINC001182603498 820929433 /nfs/dbraw/zinc/92/94/33/820929433.db2.gz ZRLJIBQHSACTEI-UHFFFAOYSA-N 2 2 253.346 -0.471 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)N1CC[C@@H]([NH2+]CCCO)C1 ZINC001183115660 820974680 /nfs/dbraw/zinc/97/46/80/820974680.db2.gz JWMHAWUHIVZNBT-GFCCVEGCSA-N 2 2 266.345 -0.085 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)N1CC[C@@H]([NH2+]CCCO)C1 ZINC001183115660 820974688 /nfs/dbraw/zinc/97/46/88/820974688.db2.gz JWMHAWUHIVZNBT-GFCCVEGCSA-N 2 2 266.345 -0.085 20 0 CBADLP CN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001184710223 821083783 /nfs/dbraw/zinc/08/37/83/821083783.db2.gz WTUONPRNKXCHPK-GFCCVEGCSA-N 2 2 293.371 -0.448 20 0 CBADLP CCN(C(=O)[C@H]1C[N@H+](C)CCN1C)C1C[NH+](C)C1 ZINC001185257288 821112462 /nfs/dbraw/zinc/11/24/62/821112462.db2.gz IPFBTDHGVGZZDA-GFCCVEGCSA-N 2 2 254.378 -0.605 20 0 CBADLP CCN(C(=O)[C@H]1C[N@@H+](C)CCN1C)C1C[NH+](C)C1 ZINC001185257288 821112467 /nfs/dbraw/zinc/11/24/67/821112467.db2.gz IPFBTDHGVGZZDA-GFCCVEGCSA-N 2 2 254.378 -0.605 20 0 CBADLP CC(C)[NH+]1CC(NC(=O)[C@@H]2C[N@H+](C)CCN2C)C1 ZINC001185262190 821116200 /nfs/dbraw/zinc/11/62/00/821116200.db2.gz KZFLUHTZXDWNRR-LBPRGKRZSA-N 2 2 254.378 -0.559 20 0 CBADLP CC(C)[NH+]1CC(NC(=O)[C@@H]2C[N@@H+](C)CCN2C)C1 ZINC001185262190 821116203 /nfs/dbraw/zinc/11/62/03/821116203.db2.gz KZFLUHTZXDWNRR-LBPRGKRZSA-N 2 2 254.378 -0.559 20 0 CBADLP O=C(C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1)NC1CC1 ZINC001185919086 821144483 /nfs/dbraw/zinc/14/44/83/821144483.db2.gz TXBQTNLAPLEGHG-LLVKDONJSA-N 2 2 291.355 -0.579 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001185926627 821146738 /nfs/dbraw/zinc/14/67/38/821146738.db2.gz YJFPSDDIFAWAPQ-VHSXEESVSA-N 2 2 279.344 -0.723 20 0 CBADLP Cc1[nH+]ccn1CCNC(=O)C[N@@H+]1CC[C@@H](O)C1 ZINC001186049767 821159439 /nfs/dbraw/zinc/15/94/39/821159439.db2.gz OHBVMTAOHMDYKA-LLVKDONJSA-N 2 2 252.318 -0.626 20 0 CBADLP Cc1[nH+]ccn1CCNC(=O)C[N@H+]1CC[C@@H](O)C1 ZINC001186049767 821159446 /nfs/dbraw/zinc/15/94/46/821159446.db2.gz OHBVMTAOHMDYKA-LLVKDONJSA-N 2 2 252.318 -0.626 20 0 CBADLP [NH3+]Cc1ncccc1NC(=O)C[N@@H+]1CC[C@@H](O)C1 ZINC001186054291 821161769 /nfs/dbraw/zinc/16/17/69/821161769.db2.gz CFMKUSILXOVPEE-SECBINFHSA-N 2 2 250.302 -0.455 20 0 CBADLP [NH3+]Cc1ncccc1NC(=O)C[N@H+]1CC[C@@H](O)C1 ZINC001186054291 821161773 /nfs/dbraw/zinc/16/17/73/821161773.db2.gz CFMKUSILXOVPEE-SECBINFHSA-N 2 2 250.302 -0.455 20 0 CBADLP [NH3+]Cc1ccc2c(n1)N(C(=O)C[N@@H+]1CC[C@@H](O)C1)CCC2 ZINC001186056318 821164495 /nfs/dbraw/zinc/16/44/95/821164495.db2.gz XQLGXHBPPQNTOP-CYBMUJFWSA-N 2 2 290.367 -0.114 20 0 CBADLP [NH3+]Cc1ccc2c(n1)N(C(=O)C[N@H+]1CC[C@@H](O)C1)CCC2 ZINC001186056318 821164501 /nfs/dbraw/zinc/16/45/01/821164501.db2.gz XQLGXHBPPQNTOP-CYBMUJFWSA-N 2 2 290.367 -0.114 20 0 CBADLP C[N@@H+]1CCC[C@H](C(=O)N[C@@H](CO)Cc2c[nH]c[nH+]2)C1 ZINC001186363575 821181034 /nfs/dbraw/zinc/18/10/34/821181034.db2.gz CXUUXOWBUSTWMJ-CMPLNLGQSA-N 2 2 266.345 -0.229 20 0 CBADLP C[N@H+]1CCC[C@H](C(=O)N[C@@H](CO)Cc2c[nH]c[nH+]2)C1 ZINC001186363575 821181037 /nfs/dbraw/zinc/18/10/37/821181037.db2.gz CXUUXOWBUSTWMJ-CMPLNLGQSA-N 2 2 266.345 -0.229 20 0 CBADLP C[N@@H+]1CCC[C@H](C(=O)N[C@@H](CO)Cc2c[nH+]c[nH]2)C1 ZINC001186363575 821181040 /nfs/dbraw/zinc/18/10/40/821181040.db2.gz CXUUXOWBUSTWMJ-CMPLNLGQSA-N 2 2 266.345 -0.229 20 0 CBADLP C[N@H+]1CCC[C@H](C(=O)N[C@@H](CO)Cc2c[nH+]c[nH]2)C1 ZINC001186363575 821181042 /nfs/dbraw/zinc/18/10/42/821181042.db2.gz CXUUXOWBUSTWMJ-CMPLNLGQSA-N 2 2 266.345 -0.229 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001186575854 821188647 /nfs/dbraw/zinc/18/86/47/821188647.db2.gz GCDDZGCXNJPSLZ-VHSXEESVSA-N 2 2 279.344 -0.723 20 0 CBADLP C[NH+](C)CCOCC(=O)N1CC[C@@H]([NH2+]Cc2cnon2)C1 ZINC001187121755 821213675 /nfs/dbraw/zinc/21/36/75/821213675.db2.gz KJXJWBYZQSAQIX-LLVKDONJSA-N 2 2 297.359 -0.662 20 0 CBADLP CC[NH2+]CCN(CCO)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001279746281 828336653 /nfs/dbraw/zinc/33/66/53/828336653.db2.gz KDPUSOCUBBDQAD-GFCCVEGCSA-N 2 2 280.372 -0.124 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]CCCO)C1 ZINC001280437394 828352791 /nfs/dbraw/zinc/35/27/91/828352791.db2.gz XXLTYXQTYHRPIF-KGLIPLIRSA-N 2 2 299.415 -0.330 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]CCCO)C1 ZINC001280437394 828352799 /nfs/dbraw/zinc/35/27/99/828352799.db2.gz XXLTYXQTYHRPIF-KGLIPLIRSA-N 2 2 299.415 -0.330 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]([NH2+]CCCO)C1 ZINC001187421263 822277434 /nfs/dbraw/zinc/27/74/34/822277434.db2.gz ZTNYOBFWKGUJLS-LLVKDONJSA-N 2 2 266.345 -0.166 20 0 CBADLP CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001188369095 822334021 /nfs/dbraw/zinc/33/40/21/822334021.db2.gz QCNXDRLUJOEIMW-LLVKDONJSA-N 2 2 279.344 -0.790 20 0 CBADLP C[C@H](CNC(=O)CCc1c[nH]c[nH+]1)[N@H+](C)CCO ZINC001282400522 828444805 /nfs/dbraw/zinc/44/48/05/828444805.db2.gz ZQWOSVJQLJABIM-SNVBAGLBSA-N 2 2 254.334 -0.229 20 0 CBADLP C[C@H](CNC(=O)CCc1c[nH]c[nH+]1)[N@@H+](C)CCO ZINC001282400522 828444811 /nfs/dbraw/zinc/44/48/11/828444811.db2.gz ZQWOSVJQLJABIM-SNVBAGLBSA-N 2 2 254.334 -0.229 20 0 CBADLP C[C@H](CNC(=O)CCc1c[nH+]c[nH]1)[N@H+](C)CCO ZINC001282400522 828444813 /nfs/dbraw/zinc/44/48/13/828444813.db2.gz ZQWOSVJQLJABIM-SNVBAGLBSA-N 2 2 254.334 -0.229 20 0 CBADLP C[C@H](CNC(=O)CCc1c[nH+]c[nH]1)[N@@H+](C)CCO ZINC001282400522 828444820 /nfs/dbraw/zinc/44/48/20/828444820.db2.gz ZQWOSVJQLJABIM-SNVBAGLBSA-N 2 2 254.334 -0.229 20 0 CBADLP CCC[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](CC(=O)NC)C[C@H]21 ZINC001189898012 823786710 /nfs/dbraw/zinc/78/67/10/823786710.db2.gz AIEYCDQAOJEVEP-QWHCGFSZSA-N 2 2 296.415 -0.393 20 0 CBADLP CCC[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+](CC(=O)NC)C[C@H]21 ZINC001189898012 823786713 /nfs/dbraw/zinc/78/67/13/823786713.db2.gz AIEYCDQAOJEVEP-QWHCGFSZSA-N 2 2 296.415 -0.393 20 0 CBADLP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@H+](CC(=O)NC)C[C@H]21 ZINC001189898012 823786717 /nfs/dbraw/zinc/78/67/17/823786717.db2.gz AIEYCDQAOJEVEP-QWHCGFSZSA-N 2 2 296.415 -0.393 20 0 CBADLP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC)C[C@H]21 ZINC001189898012 823786720 /nfs/dbraw/zinc/78/67/20/823786720.db2.gz AIEYCDQAOJEVEP-QWHCGFSZSA-N 2 2 296.415 -0.393 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CC[C@@H](C[NH2+]CCO)C1 ZINC001284224465 828576454 /nfs/dbraw/zinc/57/64/54/828576454.db2.gz IZQKQFWRZFSJSD-MNOVXSKESA-N 2 2 266.345 -0.181 20 0 CBADLP C[N@H+](CCOCCO)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001192550276 823974613 /nfs/dbraw/zinc/97/46/13/823974613.db2.gz GFEVFRUVCKLNLH-ZDUSSCGKSA-N 2 2 296.371 -0.506 20 0 CBADLP C[N@@H+](CCOCCO)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001192550276 823974616 /nfs/dbraw/zinc/97/46/16/823974616.db2.gz GFEVFRUVCKLNLH-ZDUSSCGKSA-N 2 2 296.371 -0.506 20 0 CBADLP CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001192580348 823978110 /nfs/dbraw/zinc/97/81/10/823978110.db2.gz CGUZKRPBCSHKGH-VXGBXAGGSA-N 2 2 296.371 -0.460 20 0 CBADLP CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001192580348 823978115 /nfs/dbraw/zinc/97/81/15/823978115.db2.gz CGUZKRPBCSHKGH-VXGBXAGGSA-N 2 2 296.371 -0.460 20 0 CBADLP CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001192591715 823978348 /nfs/dbraw/zinc/97/83/48/823978348.db2.gz USFGOXWIWWJQMV-GHMZBOCLSA-N 2 2 266.345 -0.086 20 0 CBADLP CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001192591715 823978355 /nfs/dbraw/zinc/97/83/55/823978355.db2.gz USFGOXWIWWJQMV-GHMZBOCLSA-N 2 2 266.345 -0.086 20 0 CBADLP C[N@H+](CCCO)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001193047297 824001026 /nfs/dbraw/zinc/00/10/26/824001026.db2.gz DYLAQKPANGABLW-LLVKDONJSA-N 2 2 266.345 -0.133 20 0 CBADLP C[N@@H+](CCCO)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001193047297 824001032 /nfs/dbraw/zinc/00/10/32/824001032.db2.gz DYLAQKPANGABLW-LLVKDONJSA-N 2 2 266.345 -0.133 20 0 CBADLP COCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001193602666 824037097 /nfs/dbraw/zinc/03/70/97/824037097.db2.gz XZADCQRFNMICCE-CHWSQXEVSA-N 2 2 296.371 -0.460 20 0 CBADLP COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001193602666 824037103 /nfs/dbraw/zinc/03/71/03/824037103.db2.gz XZADCQRFNMICCE-CHWSQXEVSA-N 2 2 296.371 -0.460 20 0 CBADLP COC[C@H](O)C[N@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194449192 824073655 /nfs/dbraw/zinc/07/36/55/824073655.db2.gz QJAAEUJPFFPISK-QWHCGFSZSA-N 2 2 296.371 -0.577 20 0 CBADLP COC[C@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194449192 824073660 /nfs/dbraw/zinc/07/36/60/824073660.db2.gz QJAAEUJPFFPISK-QWHCGFSZSA-N 2 2 296.371 -0.577 20 0 CBADLP COC[C@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194449186 824073792 /nfs/dbraw/zinc/07/37/92/824073792.db2.gz QJAAEUJPFFPISK-CHWSQXEVSA-N 2 2 296.371 -0.577 20 0 CBADLP COC[C@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194449186 824073795 /nfs/dbraw/zinc/07/37/95/824073795.db2.gz QJAAEUJPFFPISK-CHWSQXEVSA-N 2 2 296.371 -0.577 20 0 CBADLP CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001194917253 824096033 /nfs/dbraw/zinc/09/60/33/824096033.db2.gz MCVZZCFAYXHLML-GHMZBOCLSA-N 2 2 266.345 -0.466 20 0 CBADLP CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001194917253 824096036 /nfs/dbraw/zinc/09/60/36/824096036.db2.gz MCVZZCFAYXHLML-GHMZBOCLSA-N 2 2 266.345 -0.466 20 0 CBADLP CNC(=O)C[N@@H+]1CCCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001196943656 824173160 /nfs/dbraw/zinc/17/31/60/824173160.db2.gz SMMAXOYQNCTZMA-UHFFFAOYSA-N 2 2 296.415 -0.392 20 0 CBADLP CNC(=O)C[N@H+]1CCCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001196943656 824173163 /nfs/dbraw/zinc/17/31/63/824173163.db2.gz SMMAXOYQNCTZMA-UHFFFAOYSA-N 2 2 296.415 -0.392 20 0 CBADLP CC[N@H+](C)CCC(=O)N1CCC[NH+]([C@@H](C)C(N)=O)CC1 ZINC001197692309 824198653 /nfs/dbraw/zinc/19/86/53/824198653.db2.gz TYETYGRZIZGUTL-LBPRGKRZSA-N 2 2 284.404 -0.264 20 0 CBADLP CC[N@@H+](C)CCC(=O)N1CCC[NH+]([C@@H](C)C(N)=O)CC1 ZINC001197692309 824198655 /nfs/dbraw/zinc/19/86/55/824198655.db2.gz TYETYGRZIZGUTL-LBPRGKRZSA-N 2 2 284.404 -0.264 20 0 CBADLP CC[NH+](C)CCC(=O)N1CCC[N@@H+]([C@@H](C)C(N)=O)CC1 ZINC001197692309 824198658 /nfs/dbraw/zinc/19/86/58/824198658.db2.gz TYETYGRZIZGUTL-LBPRGKRZSA-N 2 2 284.404 -0.264 20 0 CBADLP CC[NH+](C)CCC(=O)N1CCC[N@H+]([C@@H](C)C(N)=O)CC1 ZINC001197692309 824198661 /nfs/dbraw/zinc/19/86/61/824198661.db2.gz TYETYGRZIZGUTL-LBPRGKRZSA-N 2 2 284.404 -0.264 20 0 CBADLP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCF)C[C@H]1O ZINC001199023435 824246307 /nfs/dbraw/zinc/24/63/07/824246307.db2.gz JRBCMZTVWXOQOE-CHWSQXEVSA-N 2 2 287.379 -0.007 20 0 CBADLP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@H+](CCF)C[C@H]1O ZINC001199023435 824246314 /nfs/dbraw/zinc/24/63/14/824246314.db2.gz JRBCMZTVWXOQOE-CHWSQXEVSA-N 2 2 287.379 -0.007 20 0 CBADLP C[NH+]1CCN(c2cc[nH+]cc2C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC001199359393 824265537 /nfs/dbraw/zinc/26/55/37/824265537.db2.gz MDDFKXUVNBQLEM-LBPRGKRZSA-N 3 2 289.383 -0.075 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CCCO[C@@H](C[NH2+]CCO)C1 ZINC001201856071 824336796 /nfs/dbraw/zinc/33/67/96/824336796.db2.gz IDAJSUCBAMZTAF-ZDUSSCGKSA-N 2 2 296.371 -0.838 20 0 CBADLP CCNC(=O)C[NH2+]C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001203052676 824357999 /nfs/dbraw/zinc/35/79/99/824357999.db2.gz QVLNEDKECITUKQ-UHFFFAOYSA-N 2 2 293.371 -0.331 20 0 CBADLP CN(C)C(=O)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C)C1 ZINC001203022445 824358056 /nfs/dbraw/zinc/35/80/56/824358056.db2.gz YKHPSNCRHWRPCE-LLVKDONJSA-N 2 2 270.377 -0.783 20 0 CBADLP CN(C)C(=O)C[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C)C1 ZINC001203022445 824358060 /nfs/dbraw/zinc/35/80/60/824358060.db2.gz YKHPSNCRHWRPCE-LLVKDONJSA-N 2 2 270.377 -0.783 20 0 CBADLP COC[C@@H](O)C[NH2+]C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001203052427 824358275 /nfs/dbraw/zinc/35/82/75/824358275.db2.gz OSHZXUVVTCOXLR-LBPRGKRZSA-N 2 2 296.371 -0.460 20 0 CBADLP [NH3+]C[C@]1(O)CCCC[N@H+](Cc2cnc3n2CC[NH2+]CC3)C1 ZINC001205671380 824380398 /nfs/dbraw/zinc/38/03/98/824380398.db2.gz AWDVKJCMELBFIX-OAHLLOKOSA-N 3 2 293.415 -0.296 20 0 CBADLP [NH3+]C[C@]1(O)CCCC[N@@H+](Cc2cnc3n2CC[NH2+]CC3)C1 ZINC001205671380 824380402 /nfs/dbraw/zinc/38/04/02/824380402.db2.gz AWDVKJCMELBFIX-OAHLLOKOSA-N 3 2 293.415 -0.296 20 0 CBADLP Nc1ncc(C[N@@H+]2CCCC[C@@](O)(C[NH3+])C2)cn1 ZINC001205672920 824380637 /nfs/dbraw/zinc/38/06/37/824380637.db2.gz MNWMLRVXUUECRN-GFCCVEGCSA-N 2 2 251.334 -0.266 20 0 CBADLP Nc1ncc(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)cn1 ZINC001205672920 824380642 /nfs/dbraw/zinc/38/06/42/824380642.db2.gz MNWMLRVXUUECRN-GFCCVEGCSA-N 2 2 251.334 -0.266 20 0 CBADLP Nc1nccnc1C[N@@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001205682731 824381201 /nfs/dbraw/zinc/38/12/01/824381201.db2.gz UAWMZUKEDCXVKP-LBPRGKRZSA-N 2 2 251.334 -0.266 20 0 CBADLP Nc1nccnc1C[N@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001205682731 824381204 /nfs/dbraw/zinc/38/12/04/824381204.db2.gz UAWMZUKEDCXVKP-LBPRGKRZSA-N 2 2 251.334 -0.266 20 0 CBADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)nc2)C[C@H]1O ZINC001205952903 824390261 /nfs/dbraw/zinc/39/02/61/824390261.db2.gz GDUAEHROHGFYCJ-ZIAGYGMSSA-N 2 2 292.383 -0.188 20 0 CBADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)nc2)C[C@H]1O ZINC001205952903 824390267 /nfs/dbraw/zinc/39/02/67/824390267.db2.gz GDUAEHROHGFYCJ-ZIAGYGMSSA-N 2 2 292.383 -0.188 20 0 CBADLP Cc1ncc(CO)c(C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c1O ZINC001205959766 824391280 /nfs/dbraw/zinc/39/12/80/824391280.db2.gz VNBZKZSOKPZGDO-VXGBXAGGSA-N 2 2 267.329 -0.518 20 0 CBADLP Cc1ncc(CO)c(C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c1O ZINC001205959766 824391283 /nfs/dbraw/zinc/39/12/83/824391283.db2.gz VNBZKZSOKPZGDO-VXGBXAGGSA-N 2 2 267.329 -0.518 20 0 CBADLP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206511807 824401987 /nfs/dbraw/zinc/40/19/87/824401987.db2.gz CCNQUQABKPVGPQ-NAKRPEOUSA-N 3 2 263.332 -0.271 20 0 CBADLP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206511807 824401991 /nfs/dbraw/zinc/40/19/91/824401991.db2.gz CCNQUQABKPVGPQ-NAKRPEOUSA-N 3 2 263.332 -0.271 20 0 CBADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1C[C@@H]2COC[C@H]12 ZINC001206661311 824405417 /nfs/dbraw/zinc/40/54/17/824405417.db2.gz SWEWQIDITUFHLW-XQHKEYJVSA-N 2 2 267.373 -0.049 20 0 CBADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1C[C@@H]2COC[C@H]12 ZINC001206661311 824405422 /nfs/dbraw/zinc/40/54/22/824405422.db2.gz SWEWQIDITUFHLW-XQHKEYJVSA-N 2 2 267.373 -0.049 20 0 CBADLP NC(=O)C[NH2+]CC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001206971020 824415706 /nfs/dbraw/zinc/41/57/06/824415706.db2.gz VVKHXKUDRFVRLQ-UHFFFAOYSA-N 2 2 279.344 -0.803 20 0 CBADLP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C)[NH+](C)C ZINC001208530084 824455519 /nfs/dbraw/zinc/45/55/19/824455519.db2.gz FDCHCDDJUUUXAU-NQBHXWOUSA-N 2 2 284.404 -0.506 20 0 CBADLP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C)[NH+](C)C ZINC001208530084 824455521 /nfs/dbraw/zinc/45/55/21/824455521.db2.gz FDCHCDDJUUUXAU-NQBHXWOUSA-N 2 2 284.404 -0.506 20 0 CBADLP C[NH+](C)CCN(CC[NH+](C)C)CC[NH+]1CCOCC1 ZINC001209292735 824467355 /nfs/dbraw/zinc/46/73/55/824467355.db2.gz XJVNQIUTCFOVDR-UHFFFAOYSA-N 3 2 272.437 -0.256 20 0 CBADLP CC1(C)CN(Cc2c[nH+]ccc2N)CC[N@@H+]1CC(N)=O ZINC001209730946 824474776 /nfs/dbraw/zinc/47/47/76/824474776.db2.gz MRIUGXLEPXSOFB-UHFFFAOYSA-N 2 2 277.372 -0.124 20 0 CBADLP CC1(C)CN(Cc2c[nH+]ccc2N)CC[N@H+]1CC(N)=O ZINC001209730946 824474782 /nfs/dbraw/zinc/47/47/82/824474782.db2.gz MRIUGXLEPXSOFB-UHFFFAOYSA-N 2 2 277.372 -0.124 20 0 CBADLP Nc1cc[nH+]cc1C[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC001209736556 824475214 /nfs/dbraw/zinc/47/52/14/824475214.db2.gz FIZCUUCTZWBJAZ-UHFFFAOYSA-N 2 2 275.312 -0.332 20 0 CBADLP CN(C)C(=O)C[NH2+][C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001209838032 824476143 /nfs/dbraw/zinc/47/61/43/824476143.db2.gz VPBBPUPYGNMTGK-NSHDSACASA-N 2 2 293.371 -0.379 20 0 CBADLP CNC(=O)C[NH2+][C@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001210667560 824480763 /nfs/dbraw/zinc/48/07/63/824480763.db2.gz HAKCRULNIYGXGS-NSHDSACASA-N 2 2 293.371 -0.711 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1c1nc(-c2ccc3c(n2)CC[NH2+]C3)no1 ZINC001211757756 824488350 /nfs/dbraw/zinc/48/83/50/824488350.db2.gz ORTFCYOJSNQUKY-UWVGGRQHSA-N 3 2 286.339 -0.209 20 0 CBADLP C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1[NH2+]CC(N)=O ZINC001216988734 824551077 /nfs/dbraw/zinc/55/10/77/824551077.db2.gz YIQIPVPGJPWWIK-VXGBXAGGSA-N 2 2 293.371 -0.415 20 0 CBADLP COC(=O)[C@@H]1C[C@H](OC[C@H]2C[C@H]3CC[NH2+]C[C@@H]3O2)C[NH2+]1 ZINC001217822214 824562415 /nfs/dbraw/zinc/56/24/15/824562415.db2.gz NJIGLQLEUSPCKP-FHUSYTEZSA-N 2 2 284.356 -0.327 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1nnc(Br)s1 ZINC001218510045 824575714 /nfs/dbraw/zinc/57/57/14/824575714.db2.gz HUPXCXRKOGZRBH-IMJSIDKUSA-N 2 2 292.162 -0.214 20 0 CBADLP C[NH+]1CCN(c2ccc(NC(=O)[C@@H]([NH3+])CC[NH3+])nc2)CC1 ZINC001218515540 824578503 /nfs/dbraw/zinc/57/85/03/824578503.db2.gz IGOFUCCHTOTHMN-LBPRGKRZSA-N 3 2 292.387 -0.552 20 0 CBADLP COc1nc(Cl)cc(NC(=O)[C@@H]([NH3+])CC[NH3+])n1 ZINC001218517784 824579990 /nfs/dbraw/zinc/57/99/90/824579990.db2.gz IUKSJIADBDGDRY-YFKPBYRVSA-N 2 2 259.697 -0.247 20 0 CBADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)C1 ZINC001218532513 824585698 /nfs/dbraw/zinc/58/56/98/824585698.db2.gz FTBHNFTVJKHLLA-ZKWXMUAHSA-N 3 2 281.385 -0.413 20 0 CBADLP Nc1nonc1NC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001218542830 824589236 /nfs/dbraw/zinc/58/92/36/824589236.db2.gz ONWVEKIWNGCTGP-QMMMGPOBSA-N 2 2 262.273 -0.137 20 0 CBADLP [NH3+]C1(C(=O)Nc2ncnc3[nH]ccc32)CC[NH2+]CC1 ZINC001218558738 824591227 /nfs/dbraw/zinc/59/12/27/824591227.db2.gz HWVHGAIJMYWQKH-UHFFFAOYSA-N 2 2 260.301 -0.023 20 0 CBADLP N=c1c(N)c(Cl)ccn1C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001218567472 824594955 /nfs/dbraw/zinc/59/49/55/824594955.db2.gz RFMJLIAKZSAXJU-VDTYLAMSSA-N 2 2 255.709 -0.467 20 0 CBADLP COC(=O)c1cc(C)cnc1NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001218580925 824598796 /nfs/dbraw/zinc/59/87/96/824598796.db2.gz YEWCZMIDVYKJPY-UWVGGRQHSA-N 2 2 278.312 -0.338 20 0 CBADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1cc(OCc2cccnc2)n[nH]1 ZINC001218611992 824603162 /nfs/dbraw/zinc/60/31/62/824603162.db2.gz LKQWTTORVHPKFZ-JTQLQIEISA-N 2 2 290.327 -0.002 20 0 CBADLP CC(=O)Nc1cc(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)ncn1 ZINC001218609193 824603185 /nfs/dbraw/zinc/60/31/85/824603185.db2.gz CNJHRYKLMOWAGI-SFYZADRCSA-N 2 2 264.289 -0.937 20 0 CBADLP O=C(Nc1cc[nH+]c2c1CCC2)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001218619710 824604357 /nfs/dbraw/zinc/60/43/57/824604357.db2.gz DWXYNZKMSZYCFR-QCZZGDTMSA-N 2 2 272.352 -0.119 20 0 CBADLP Cc1nc(NC(=O)[C@@H]([NH3+])CC[NH3+])cc(N2CCOCC2)n1 ZINC001218619291 824605033 /nfs/dbraw/zinc/60/50/33/824605033.db2.gz DJEXNHCTKCVYQF-JTQLQIEISA-N 2 2 294.359 -0.764 20 0 CBADLP O=C(Nc1cc[nH+]c2c1CCC2)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001218620276 824605552 /nfs/dbraw/zinc/60/55/52/824605552.db2.gz JYWWDYVNRMARPJ-BMIGLBTASA-N 2 2 272.352 -0.118 20 0 CBADLP COC(=O)c1scnc1NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001218623156 824606010 /nfs/dbraw/zinc/60/60/10/824606010.db2.gz ASCWWSMVZRAOJW-WDSKDSINSA-N 2 2 270.314 -0.585 20 0 CBADLP O=C(Nc1cc[nH+]c2c1CCC2)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001218622356 824606155 /nfs/dbraw/zinc/60/61/55/824606155.db2.gz ZXBASAIZEAARFD-ZDUSSCGKSA-N 2 2 288.351 -0.739 20 0 CBADLP O=C(Nc1cc[nH+]c2c1CCC2)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218621286 824606434 /nfs/dbraw/zinc/60/64/34/824606434.db2.gz QRARDJXRWWWMGK-NSHDSACASA-N 3 2 272.352 -0.260 20 0 CBADLP O=C(Nc1cc[nH+]c2c1CCC2)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001218620283 824606665 /nfs/dbraw/zinc/60/66/65/824606665.db2.gz JYWWDYVNRMARPJ-MEBBXXQBSA-N 2 2 272.352 -0.118 20 0 CBADLP Cc1cc(C)n2nc(NC(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])cc2n1 ZINC001218627270 824609077 /nfs/dbraw/zinc/60/90/77/824609077.db2.gz DSJKTOIKJOCMHB-UWVGGRQHSA-N 2 2 274.328 -0.169 20 0 CBADLP O=C(Nc1cc(=O)[nH]c(Cl)n1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218646690 824613744 /nfs/dbraw/zinc/61/37/44/824613744.db2.gz BFXIJJZIFXRPHB-LURJTMIESA-N 2 2 283.719 -0.417 20 0 CBADLP CC(=O)Nc1cc(NC(=O)[C@@H]([NH3+])CC[NH3+])ccn1 ZINC001218649566 824614004 /nfs/dbraw/zinc/61/40/04/824614004.db2.gz DYXTVSMYLMBIIN-VIFPVBQESA-N 2 2 251.290 -0.345 20 0 CBADLP Cc1c[nH]c(=O)cc1NC(=O)[C@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001218651374 824615466 /nfs/dbraw/zinc/61/54/66/824615466.db2.gz IMAOSXHVPKHFEX-LLVKDONJSA-N 2 2 293.371 -0.215 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1c(N)cc[nH]c1=O ZINC001218679178 824620680 /nfs/dbraw/zinc/62/06/80/824620680.db2.gz PCXGBVQHAKJBMA-VIFPVBQESA-N 2 2 276.300 -0.389 20 0 CBADLP Nc1cc[nH]c(=O)c1NC(=O)[C@@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001218678186 824620751 /nfs/dbraw/zinc/62/07/51/824620751.db2.gz GLISLLRQBZFVAK-JTQLQIEISA-N 2 2 294.359 -0.942 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cc(Cl)ncc1CO ZINC001218692955 824621900 /nfs/dbraw/zinc/62/19/00/824621900.db2.gz OUQYMMUPPFPMAH-YUMQZZPRSA-N 2 2 270.720 -0.288 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cc(Cl)[nH]c(=O)c1 ZINC001218694702 824622257 /nfs/dbraw/zinc/62/22/57/824622257.db2.gz CWVKCHIPRVKUOP-BQBZGAKWSA-N 2 2 256.693 -0.074 20 0 CBADLP Cc1nc2[nH]cnc2c(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])n1 ZINC001218700077 824623839 /nfs/dbraw/zinc/62/38/39/824623839.db2.gz VIYAZYHRFNEIAZ-BQBZGAKWSA-N 2 2 261.289 -0.853 20 0 CBADLP COCn1cc(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)cn1 ZINC001218701707 824624767 /nfs/dbraw/zinc/62/47/67/824624767.db2.gz XTYGWUVPRPMUTA-FOGDFJRCSA-N 2 2 265.317 -0.353 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1oncc1C(N)=O ZINC001218702484 824624844 /nfs/dbraw/zinc/62/48/44/824624844.db2.gz RNAALBAWKUHBJJ-QMMMGPOBSA-N 2 2 278.272 -0.985 20 0 CBADLP [NH3+]Cc1cncc(NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)c1 ZINC001218704366 824625865 /nfs/dbraw/zinc/62/58/65/824625865.db2.gz PMAFMLUVXMVXKT-LLVKDONJSA-N 3 2 260.301 -0.228 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2cc([C@@H]3CCC[NH2+]3)no2)C1 ZINC001218713936 824628057 /nfs/dbraw/zinc/62/80/57/824628057.db2.gz VADRNDBXVUNUTI-WEDXCCLWSA-N 3 2 265.317 -0.273 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2ncccc2N2CCOCC2)C1 ZINC001218711363 824628161 /nfs/dbraw/zinc/62/81/61/824628161.db2.gz BUJMKZNJQFMDJC-MNOVXSKESA-N 2 2 291.355 -0.454 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccnn1CC(F)(F)F ZINC001218752392 824634753 /nfs/dbraw/zinc/63/47/53/824634753.db2.gz VWPAIBWWTRCTGT-BQBZGAKWSA-N 2 2 277.250 -0.069 20 0 CBADLP COc1cc(OC)c(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])cn1 ZINC001218759618 824634856 /nfs/dbraw/zinc/63/48/56/824634856.db2.gz MCJLHSZCGCVQHO-YUMQZZPRSA-N 2 2 266.301 -0.416 20 0 CBADLP CCc1c(NC(=O)C2([NH3+])CC[NH2+]CC2)c(C(N)=O)nn1C ZINC001218788952 824638850 /nfs/dbraw/zinc/63/88/50/824638850.db2.gz WIKFKLPPFSDDCD-UHFFFAOYSA-N 2 2 294.359 -0.899 20 0 CBADLP CCOc1cc(C(N)=O)ccc1NC(=O)[C@@H]([NH3+])CC[NH3+] ZINC001218816931 824641831 /nfs/dbraw/zinc/64/18/31/824641831.db2.gz XJUKRXHLNGNWIW-VIFPVBQESA-N 2 2 280.328 -0.201 20 0 CBADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1ccc2c(c1)OCC(=O)N2 ZINC001218851298 824642723 /nfs/dbraw/zinc/64/27/23/824642723.db2.gz MBUFVTHFNGJOBR-QMMMGPOBSA-N 2 2 264.285 -0.368 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC001218835913 824642756 /nfs/dbraw/zinc/64/27/56/824642756.db2.gz PHVSZJBBRSLZRF-YUMQZZPRSA-N 2 2 261.285 -0.246 20 0 CBADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)Nc1ccccc1CO ZINC001218829507 824643051 /nfs/dbraw/zinc/64/30/51/824643051.db2.gz IATRSPJNGMVFBN-CYBMUJFWSA-N 2 2 292.383 -0.132 20 0 CBADLP [NH3+]C1(C(=O)Nc2ccc3c(c2)CCNC3=O)CC[NH2+]CC1 ZINC001218934933 824649013 /nfs/dbraw/zinc/64/90/13/824649013.db2.gz MKBATJBAXDSTMT-UHFFFAOYSA-N 2 2 288.351 -0.008 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc2c(c1)[nH]c(=O)[nH]c2=O ZINC001218991058 824652147 /nfs/dbraw/zinc/65/21/47/824652147.db2.gz OUZVEIZOYPRHFA-IUCAKERBSA-N 2 2 289.295 -0.474 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccccc1-n1cncn1 ZINC001219007653 824652423 /nfs/dbraw/zinc/65/24/23/824652423.db2.gz VDJYTLUZDPIISV-UWVGGRQHSA-N 2 2 272.312 -0.248 20 0 CBADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)Nc2cccc(N3CC[NH2+]CC3)c2)C1 ZINC001219119470 824665217 /nfs/dbraw/zinc/66/52/17/824665217.db2.gz ZIJYXAXXXRUYFM-FZMZJTMJSA-N 3 2 289.383 -0.276 20 0 CBADLP CCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@@H](O)C1 ZINC001219411684 824704970 /nfs/dbraw/zinc/70/49/70/824704970.db2.gz SWFIEEDLBBNMLA-RDBSUJKOSA-N 2 2 299.415 -0.332 20 0 CBADLP CCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@@H](O)C1 ZINC001219411684 824704975 /nfs/dbraw/zinc/70/49/75/824704975.db2.gz SWFIEEDLBBNMLA-RDBSUJKOSA-N 2 2 299.415 -0.332 20 0 CBADLP CCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)[C@@H](O)C1 ZINC001219411684 824704981 /nfs/dbraw/zinc/70/49/81/824704981.db2.gz SWFIEEDLBBNMLA-RDBSUJKOSA-N 2 2 299.415 -0.332 20 0 CBADLP CCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@@H](O)C1 ZINC001219411684 824704986 /nfs/dbraw/zinc/70/49/86/824704986.db2.gz SWFIEEDLBBNMLA-RDBSUJKOSA-N 2 2 299.415 -0.332 20 0 CBADLP NC(=O)c1cc2[nH]ccc2c(NC(=O)[C@@H]([NH3+])CC[NH3+])c1 ZINC001219416892 824706213 /nfs/dbraw/zinc/70/62/13/824706213.db2.gz DHEJHRNTPWKPKF-VIFPVBQESA-N 2 2 275.312 -0.119 20 0 CBADLP CC[NH+](CC)CCNC(=O)[C@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001219555593 824727055 /nfs/dbraw/zinc/72/70/55/824727055.db2.gz HTJWSCJHAVBJER-CYBMUJFWSA-N 3 2 285.436 -0.805 20 0 CBADLP O=C(NCc1ccc2c(c1)OCO2)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001219551623 824727801 /nfs/dbraw/zinc/72/78/01/824727801.db2.gz DTUKGTJUYGIHLU-XHDPSFHLSA-N 2 2 289.335 -0.017 20 0 CBADLP [NH3+]CCSC[C@H]([NH3+])C(=O)NCCn1cc[nH+]c1 ZINC001219564166 824731442 /nfs/dbraw/zinc/73/14/42/824731442.db2.gz ULKLDXWBJLYHCP-VIFPVBQESA-N 3 2 257.363 -0.982 20 0 CBADLP O=C(NCCn1cc[nH+]c1)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001219564319 824732330 /nfs/dbraw/zinc/73/23/30/824732330.db2.gz XXSXIWFZAGKVGE-LBPRGKRZSA-N 3 2 277.372 -0.127 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NCCN1CCCCC1=O ZINC001219567511 824733263 /nfs/dbraw/zinc/73/32/63/824733263.db2.gz MYZVLPUASQOHRN-LBPRGKRZSA-N 2 2 293.371 -0.581 20 0 CBADLP O=C(NCCN1CCCCC1=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001219567430 824733416 /nfs/dbraw/zinc/73/34/16/824733416.db2.gz JXPJNXZJZSZFGQ-SDDRHHMPSA-N 2 2 280.372 -0.935 20 0 CBADLP C[C@H]1CC[C@H](NC(=O)c2cnc3n2CC[NH2+]C3)C[NH2+]1 ZINC001219592177 824738179 /nfs/dbraw/zinc/73/81/79/824738179.db2.gz PUWWQEHMXUJJFM-UWVGGRQHSA-N 2 2 263.345 -0.143 20 0 CBADLP Cc1ccnc(CNC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)n1 ZINC001219600212 824740222 /nfs/dbraw/zinc/74/02/22/824740222.db2.gz LJKIXUGFYSEPNT-BREBYQMCSA-N 2 2 261.329 -0.377 20 0 CBADLP Cc1cccn2c(CNC(=O)[C@@H]([NH3+])Cc3c[nH+]c[nH]3)nnc12 ZINC001219597742 824741044 /nfs/dbraw/zinc/74/10/44/824741044.db2.gz SVLZQINXHAGJCC-NSHDSACASA-N 2 2 299.338 -0.053 20 0 CBADLP O=C(NC[C@H](O)c1ccco1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001219604443 824849614 /nfs/dbraw/zinc/84/96/14/824849614.db2.gz OSEHLSGRHZLSFK-OUJBWJOFSA-N 2 2 265.313 -0.619 20 0 CBADLP Cc1nocc1CNC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001219607893 824852051 /nfs/dbraw/zinc/85/20/51/824852051.db2.gz GHXFXGNELNPZCR-NSHDSACASA-N 2 2 263.301 -0.097 20 0 CBADLP Cc1cc2c(cc1CNC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])OCCO2 ZINC001219606948 824852402 /nfs/dbraw/zinc/85/24/02/824852402.db2.gz XHULQZKDLJHJLD-RYUDHWBXSA-N 2 2 291.351 -0.071 20 0 CBADLP O=C(N[C@@]1(C(F)(F)F)CC[NH2+]C1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001219610411 824854488 /nfs/dbraw/zinc/85/44/88/824854488.db2.gz NLBAYXGYJDCKEC-CKEKPRIKSA-N 3 2 292.305 -0.653 20 0 CBADLP COC(=O)[C@@H]([NH3+])CC(=O)N[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219610436 824855267 /nfs/dbraw/zinc/85/52/67/824855267.db2.gz NWNIJBRIFPNYTL-RCOVLWMOSA-N 2 2 283.250 -0.713 20 0 CBADLP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@H]1C[NH2+]CC(F)(F)C1 ZINC001219618098 824859354 /nfs/dbraw/zinc/85/93/54/824859354.db2.gz UMGXOBXFQYTDIF-WCABBAIRSA-N 2 2 295.305 -0.590 20 0 CBADLP CCOC(=O)CC(=N)NC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001219883928 824909069 /nfs/dbraw/zinc/90/90/69/824909069.db2.gz YXAZNANPXJPOQD-UHFFFAOYSA-N 2 2 256.306 -0.886 20 0 CBADLP C[C@H]1OCC[C@H]1CNC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001219633910 824867160 /nfs/dbraw/zinc/86/71/60/824867160.db2.gz IJOFHJBZMXRMGA-YWVKMMECSA-N 2 2 252.318 -0.179 20 0 CBADLP Cn1c[nH+]c(CCNC(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)c1 ZINC001219634100 824868048 /nfs/dbraw/zinc/86/80/48/824868048.db2.gz NTUMRTZLQUBJGD-CYBMUJFWSA-N 3 2 291.399 -0.047 20 0 CBADLP C[C@H]1OCC[C@H]1CNC(=O)[C@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001219636354 824868262 /nfs/dbraw/zinc/86/82/62/824868262.db2.gz ZHWVGALQZSDJBQ-NTZNESFSSA-N 2 2 284.404 -0.722 20 0 CBADLP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)C1 ZINC001219641872 824869527 /nfs/dbraw/zinc/86/95/27/824869527.db2.gz MHGKWTSAOFDAGQ-OPDFLTKYSA-N 3 2 266.389 -0.700 20 0 CBADLP C[C@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)C1 ZINC001219640873 824869887 /nfs/dbraw/zinc/86/98/87/824869887.db2.gz CMIUTWXUVXLVAZ-MDZLAQPJSA-N 3 2 279.388 -0.348 20 0 CBADLP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@H](CO)n2cc[nH+]c2)C1 ZINC001219640914 824870586 /nfs/dbraw/zinc/87/05/86/824870586.db2.gz DCCPGRSEPWRDJT-TUAOUCFPSA-N 2 2 266.345 -0.222 20 0 CBADLP C[C@H]1C[NH2+]C[C@H](CNC(=O)C2([NH3+])CC[NH2+]CC2)C1 ZINC001219644574 824871439 /nfs/dbraw/zinc/87/14/39/824871439.db2.gz CPZKZLUCHOVMKN-GHMZBOCLSA-N 3 2 254.378 -0.571 20 0 CBADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 ZINC001219671507 824876225 /nfs/dbraw/zinc/87/62/25/824876225.db2.gz IMTAMXNRDWGGKI-NWDGAFQWSA-N 2 2 297.380 -0.438 20 0 CBADLP CCOC(=O)CCNC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001219691314 824880357 /nfs/dbraw/zinc/88/03/57/824880357.db2.gz NJHOCIHJKOGREQ-JTQLQIEISA-N 2 2 268.317 -0.641 20 0 CBADLP CN(C(=O)CCNC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C)C1CC1 ZINC001219693452 824881240 /nfs/dbraw/zinc/88/12/40/824881240.db2.gz YGXVSILCRBLYFH-LBPRGKRZSA-N 2 2 293.371 -0.583 20 0 CBADLP C[N@@H+]1CCO[C@@H](CNC(=O)C[C@@H]([NH3+])COC(C)(C)C)C1 ZINC001219694494 824881866 /nfs/dbraw/zinc/88/18/66/824881866.db2.gz KAKAUKBFTYXFMP-NEPJUHHUSA-N 2 2 287.404 -0.034 20 0 CBADLP C[N@H+]1CCO[C@@H](CNC(=O)C[C@@H]([NH3+])COC(C)(C)C)C1 ZINC001219694494 824881872 /nfs/dbraw/zinc/88/18/72/824881872.db2.gz KAKAUKBFTYXFMP-NEPJUHHUSA-N 2 2 287.404 -0.034 20 0 CBADLP COC(=O)[C@@H]([NH3+])CC(=O)NC[C@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219743503 824890268 /nfs/dbraw/zinc/89/02/68/824890268.db2.gz FTKYVEKJXNNHFP-MNOVXSKESA-N 2 2 299.371 -0.706 20 0 CBADLP [NH3+]Cc1ncc(C(=O)NC[C@H]2C[C@H]3C[NH2+]CCN3C2)s1 ZINC001219766479 824891869 /nfs/dbraw/zinc/89/18/69/824891869.db2.gz UKSWBOOWOGKTJB-ZJUUUORDSA-N 2 2 295.412 -0.375 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NC[C@]1(F)CCC[NH2+]C1 ZINC001219768965 824892124 /nfs/dbraw/zinc/89/21/24/824892124.db2.gz RWOQLGVKCMIGBI-AAEUAGOBSA-N 3 2 283.351 -0.502 20 0 CBADLP [NH3+]C1(C(=O)NC[C@]2(F)CCC[NH2+]C2)CC[NH2+]CC1 ZINC001219769647 824892289 /nfs/dbraw/zinc/89/22/89/824892289.db2.gz YPNHQDORIPREKB-NSHDSACASA-N 3 2 258.341 -0.725 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N[C@@H]2CC[NH2+][C@H]2c2ccccc2)C1 ZINC001219818805 824898571 /nfs/dbraw/zinc/89/85/71/824898571.db2.gz OABZPJNMLROWBP-MQYQWHSLSA-N 3 2 274.368 -0.105 20 0 CBADLP O=C(N[C@@H]1C[NH2+]Cc2ccsc21)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001219823273 824900329 /nfs/dbraw/zinc/90/03/29/824900329.db2.gz OJXIUMWDVHXBAN-WDMOLILDSA-N 3 2 292.408 -0.040 20 0 CBADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N[C@@H]2C[NH2+]Cc3ccsc32)C1 ZINC001219827094 824900402 /nfs/dbraw/zinc/90/04/02/824900402.db2.gz ZFMSONJYLCCFJO-LPEHRKFASA-N 3 2 266.370 -0.302 20 0 CBADLP [NH3+][C@@H]1CN[C@H](C(=O)N[C@@H]2C[NH2+]Cc3ccsc32)C1 ZINC001219827094 824900406 /nfs/dbraw/zinc/90/04/06/824900406.db2.gz ZFMSONJYLCCFJO-LPEHRKFASA-N 2 2 266.370 -0.302 20 0 CBADLP C[C@@]1(C(=O)N[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)CC(F)(F)C[NH2+]1 ZINC001219854111 824902832 /nfs/dbraw/zinc/90/28/32/824902832.db2.gz CTWIJDDMOFOPEW-LOKLDPHHSA-N 2 2 275.299 -0.523 20 0 CBADLP COc1ccc(CCNC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])cc1O ZINC001219910121 824913796 /nfs/dbraw/zinc/91/37/96/824913796.db2.gz OUOMEJGDESWLJG-QWRGUYRKSA-N 2 2 279.340 -0.394 20 0 CBADLP C[NH+](C)CCCCCNC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001219917961 824915085 /nfs/dbraw/zinc/91/50/85/824915085.db2.gz AAHKNNWMYXYATK-OCCSQVGLSA-N 3 2 268.405 -0.214 20 0 CBADLP COC(=O)[C@@H]([NH3+])CC(=O)NCCCCC[NH+](C)C ZINC001219920969 824915571 /nfs/dbraw/zinc/91/55/71/824915571.db2.gz NQKWBDUGBFJPDL-JTQLQIEISA-N 2 2 259.350 -0.275 20 0 CBADLP Nc1ccccc1CNC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001219925887 824916442 /nfs/dbraw/zinc/91/64/42/824916442.db2.gz ZWARMPZAUQKLOT-BXUZGUMPSA-N 2 2 260.341 -0.164 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NC[C@@H]1Cc2ccccc2O1 ZINC001219925474 824917572 /nfs/dbraw/zinc/91/75/72/824917572.db2.gz LQCNLXKUTASQNH-SRVKXCTJSA-N 2 2 261.325 -0.347 20 0 CBADLP Cc1[nH+]ccn1CCNC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001219934725 824917625 /nfs/dbraw/zinc/91/76/25/824917625.db2.gz JRFITWMHELNEHF-CYBMUJFWSA-N 3 2 294.403 -0.942 20 0 CBADLP CC(C)(C)C(=O)CNC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001219943342 824918474 /nfs/dbraw/zinc/91/84/74/824918474.db2.gz FAFXBQLNEYNDEH-RNCFNFMXSA-N 2 2 253.346 -0.331 20 0 CBADLP Cc1c[nH]c(CCNC(=O)CN2CC[NH2+]CC2)[nH+]1 ZINC001219952134 824920848 /nfs/dbraw/zinc/92/08/48/824920848.db2.gz PMDRVORXSWMPSV-UHFFFAOYSA-N 2 2 251.334 -0.718 20 0 CBADLP Cc1c[nH]c(CCNC(=O)CN2CCCC[C@H]([NH3+])C2=O)[nH+]1 ZINC001219951785 824920897 /nfs/dbraw/zinc/92/08/97/824920897.db2.gz BITLVPFHQIJOKT-NSHDSACASA-N 2 2 293.371 -0.283 20 0 CBADLP CCC[NH+]1CCC(NC(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)CC1 ZINC001219954875 824922656 /nfs/dbraw/zinc/92/26/56/824922656.db2.gz WGSJLOQOLAXPES-IUODEOHRSA-N 3 2 280.416 -0.072 20 0 CBADLP O=C(NCc1ccc2nonc2c1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001219965093 824924931 /nfs/dbraw/zinc/92/49/31/824924931.db2.gz BHYLLYYAPFYETI-YGRLFVJLSA-N 2 2 287.323 -0.210 20 0 CBADLP COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CC[NH2+]C2)C1 ZINC001219974872 824927069 /nfs/dbraw/zinc/92/70/69/824927069.db2.gz HTSBIKMMIIEGBX-GHMZBOCLSA-N 2 2 269.345 -0.651 20 0 CBADLP COC(=O)CNC(=O)[C@@H]1CCC[N@H+]([C@@H]2CC[NH2+]C2)C1 ZINC001219974872 824927074 /nfs/dbraw/zinc/92/70/74/824927074.db2.gz HTSBIKMMIIEGBX-GHMZBOCLSA-N 2 2 269.345 -0.651 20 0 CBADLP COC(=O)CNC(=O)[C@H]1CCC[N@@H+]([C@H]2CC[NH2+]C2)C1 ZINC001219974874 824928183 /nfs/dbraw/zinc/92/81/83/824928183.db2.gz HTSBIKMMIIEGBX-QWRGUYRKSA-N 2 2 269.345 -0.651 20 0 CBADLP COC(=O)CNC(=O)[C@H]1CCC[N@H+]([C@H]2CC[NH2+]C2)C1 ZINC001219974874 824928186 /nfs/dbraw/zinc/92/81/86/824928186.db2.gz HTSBIKMMIIEGBX-QWRGUYRKSA-N 2 2 269.345 -0.651 20 0 CBADLP C[N@@H+]1CCC[C@H](CCNC(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)C1 ZINC001219978968 824929178 /nfs/dbraw/zinc/92/91/78/824929178.db2.gz WWSYWMRMYBHSCV-VNHYZAJKSA-N 3 2 280.416 -0.214 20 0 CBADLP C[N@H+]1CCC[C@H](CCNC(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)C1 ZINC001219978968 824929183 /nfs/dbraw/zinc/92/91/83/824929183.db2.gz WWSYWMRMYBHSCV-VNHYZAJKSA-N 3 2 280.416 -0.214 20 0 CBADLP C[N@@H+]1CCC[C@H](CCNC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])C1 ZINC001219980702 824929276 /nfs/dbraw/zinc/92/92/76/824929276.db2.gz NHGAJWMLTHXIJR-WOPDTQHZSA-N 3 2 254.378 -0.619 20 0 CBADLP C[N@H+]1CCC[C@H](CCNC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])C1 ZINC001219980702 824929281 /nfs/dbraw/zinc/92/92/81/824929281.db2.gz NHGAJWMLTHXIJR-WOPDTQHZSA-N 3 2 254.378 -0.619 20 0 CBADLP C[N@@H+]1CCC[C@H](CCNC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)C1 ZINC001219980890 824930042 /nfs/dbraw/zinc/93/00/42/824930042.db2.gz QKCLIFGQTYXLOD-ZOBORPQBSA-N 3 2 280.416 -0.216 20 0 CBADLP C[N@H+]1CCC[C@H](CCNC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)C1 ZINC001219980890 824930046 /nfs/dbraw/zinc/93/00/46/824930046.db2.gz QKCLIFGQTYXLOD-ZOBORPQBSA-N 3 2 280.416 -0.216 20 0 CBADLP CN1C[C@@H](NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)CCC1=O ZINC001220005030 824931024 /nfs/dbraw/zinc/93/10/24/824931024.db2.gz NJZAVNYKTTXRQV-WCBMZHEXSA-N 2 2 265.317 -0.984 20 0 CBADLP C[NH+]1CC(NC(=O)CNC(=O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC001220013449 824934154 /nfs/dbraw/zinc/93/41/54/824934154.db2.gz WIMDBIYVLMKPPO-ZDUSSCGKSA-N 2 2 290.367 -0.897 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NCc1ccc2n[nH]cc2c1 ZINC001220025778 824937885 /nfs/dbraw/zinc/93/78/85/824937885.db2.gz XJQOMIGYYYISJE-QWRGUYRKSA-N 2 2 259.313 -0.274 20 0 CBADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)N[C@@H]2CCC(=O)NC2=O)cc1 ZINC001220031558 824938811 /nfs/dbraw/zinc/93/88/11/824938811.db2.gz XKPRYNLXOZUZOL-WDEREUQCSA-N 2 2 290.323 -0.820 20 0 CBADLP COC(=O)c1ccnc(CNC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)c1 ZINC001220037996 824940620 /nfs/dbraw/zinc/94/06/20/824940620.db2.gz OCWOFBKFXBNITQ-KOLCDFICSA-N 2 2 278.312 -0.826 20 0 CBADLP O=C(NCc1ccncc1F)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220036576 824940873 /nfs/dbraw/zinc/94/08/73/824940873.db2.gz QDRNHEJAJQNIFU-ZMLRMANQSA-N 2 2 264.304 -0.213 20 0 CBADLP N=c1cc(C[NH3+])ccn1C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220044874 824941817 /nfs/dbraw/zinc/94/18/17/824941817.db2.gz CMDZOBQISKFRBX-JTQLQIEISA-N 3 2 260.301 -0.640 20 0 CBADLP COC(=O)CCCCCNC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220048589 824943349 /nfs/dbraw/zinc/94/33/49/824943349.db2.gz QIQXAIHMUYXWIL-BXUZGUMPSA-N 2 2 283.372 -0.213 20 0 CBADLP CC(C)[N@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@@H](O)C1 ZINC001220051420 824945472 /nfs/dbraw/zinc/94/54/72/824945472.db2.gz AFDLXRHGZWHYND-NEPJUHHUSA-N 2 2 280.372 -0.078 20 0 CBADLP CC(C)[N@@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@@H](O)C1 ZINC001220051420 824945476 /nfs/dbraw/zinc/94/54/76/824945476.db2.gz AFDLXRHGZWHYND-NEPJUHHUSA-N 2 2 280.372 -0.078 20 0 CBADLP CCOC(=O)C(C)(C)NC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001220064329 824948807 /nfs/dbraw/zinc/94/88/07/824948807.db2.gz ZWLIZCPHGYMIGO-JTQLQIEISA-N 2 2 282.344 -0.252 20 0 CBADLP CO[C@H](C)C[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001220103911 824954562 /nfs/dbraw/zinc/95/45/62/824954562.db2.gz OKDABKFFHOOSNW-UPJWGTAASA-N 2 2 296.371 -0.531 20 0 CBADLP CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001220103911 824954565 /nfs/dbraw/zinc/95/45/65/824954565.db2.gz OKDABKFFHOOSNW-UPJWGTAASA-N 2 2 296.371 -0.531 20 0 CBADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H](O)c1ccc(O)cc1 ZINC001220113219 824958329 /nfs/dbraw/zinc/95/83/29/824958329.db2.gz NRVCSEISQMIAJD-CHWSQXEVSA-N 2 2 290.323 -0.165 20 0 CBADLP O=C(NCc1cccc(F)n1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220124725 824960274 /nfs/dbraw/zinc/96/02/74/824960274.db2.gz IPNDJATZFSEWSA-INTQDDNPSA-N 2 2 264.304 -0.213 20 0 CBADLP O=C(NCC1(F)CCOCC1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220136886 824963151 /nfs/dbraw/zinc/96/31/51/824963151.db2.gz KEVMQJHVBMEGNV-MFKMUULPSA-N 2 2 271.336 -0.427 20 0 CBADLP [NH3+]C1(C(=O)NCC2(F)CCOCC2)CC[NH2+]CC1 ZINC001220136799 824964191 /nfs/dbraw/zinc/96/41/91/824964191.db2.gz HOXNRTYKGHKWSY-UHFFFAOYSA-N 2 2 259.325 -0.298 20 0 CBADLP CSCC[C@@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])C(C)(C)O ZINC001220145933 824968461 /nfs/dbraw/zinc/96/84/61/824968461.db2.gz WWEXMFNTGRKBJN-LPEHRKFASA-N 2 2 275.418 -0.458 20 0 CBADLP C[N@@H+]1CCC[C@H](NC(=O)[C@@H]([NH3+])Cc2cnc[nH]2)C1 ZINC001220156865 824972059 /nfs/dbraw/zinc/97/20/59/824972059.db2.gz NYDNKIJJWDVILF-ONGXEEELSA-N 2 2 251.334 -0.510 20 0 CBADLP C[N@H+]1CCC[C@H](NC(=O)[C@@H]([NH3+])Cc2cnc[nH]2)C1 ZINC001220156865 824972061 /nfs/dbraw/zinc/97/20/61/824972061.db2.gz NYDNKIJJWDVILF-ONGXEEELSA-N 2 2 251.334 -0.510 20 0 CBADLP C[N@@H+]1CCC[C@H](NC(=O)[C@@H]([NH3+])Cc2c[nH]cn2)C1 ZINC001220156865 824972043 /nfs/dbraw/zinc/97/20/43/824972043.db2.gz NYDNKIJJWDVILF-ONGXEEELSA-N 2 2 251.334 -0.510 20 0 CBADLP C[N@H+]1CCC[C@H](NC(=O)[C@@H]([NH3+])Cc2c[nH]cn2)C1 ZINC001220156865 824972053 /nfs/dbraw/zinc/97/20/53/824972053.db2.gz NYDNKIJJWDVILF-ONGXEEELSA-N 2 2 251.334 -0.510 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NC2(C(F)(F)F)CCOCC2)C1 ZINC001220156838 824972659 /nfs/dbraw/zinc/97/26/59/824972659.db2.gz MRLWJDFUZDVZRD-SFYZADRCSA-N 2 2 281.278 -0.097 20 0 CBADLP O=C(N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220161402 824974493 /nfs/dbraw/zinc/97/44/93/824974493.db2.gz CGJAHHJFMBABAZ-XRGAULLZSA-N 3 2 292.427 -0.024 20 0 CBADLP COC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001220163615 824975053 /nfs/dbraw/zinc/97/50/53/824975053.db2.gz SDMHVMOOHWKMEG-UHIISALHSA-N 2 2 283.372 -0.085 20 0 CBADLP CC(C)[NH+]1CC(NC(=O)[C@]23C[NH2+]C[C@H]2CCN3)C1 ZINC001220159918 824975070 /nfs/dbraw/zinc/97/50/70/824975070.db2.gz SHNYNXQYDUPJCG-MFKMUULPSA-N 2 2 252.362 -0.853 20 0 CBADLP CCC1(CNC(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)COC1 ZINC001220170986 824976036 /nfs/dbraw/zinc/97/60/36/824976036.db2.gz ZXXWKTKNZGYNAI-GXFFZTMASA-N 2 2 253.346 -0.519 20 0 CBADLP N=C(NC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2)c1ccc(F)cn1 ZINC001220170416 824976047 /nfs/dbraw/zinc/97/60/47/824976047.db2.gz KAQDFDGOQCPYGT-OQPBUACISA-N 2 2 277.303 -0.386 20 0 CBADLP N=C(NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)c1ccc(F)cn1 ZINC001220170240 824976278 /nfs/dbraw/zinc/97/62/78/824976278.db2.gz FABYJUQORKILHG-BKDNQFJXSA-N 2 2 277.303 -0.388 20 0 CBADLP C[C@@H](NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)c1cncnc1 ZINC001220183331 824980449 /nfs/dbraw/zinc/98/04/49/824980449.db2.gz LVRCZUQNLTVHIA-LLHIFLOGSA-N 2 2 261.329 -0.396 20 0 CBADLP COC(=O)[C@@H]([NH3+])CCC(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC001220186360 824982481 /nfs/dbraw/zinc/98/24/81/824982481.db2.gz OSXOTCSLUNTOJP-IUCAKERBSA-N 2 2 293.314 -0.372 20 0 CBADLP N[C@]1(C(=O)NC[C@H]2CC[NH2+]CC2(F)F)CCC[NH2+]C1 ZINC001220186402 824982833 /nfs/dbraw/zinc/98/28/33/824982833.db2.gz PFVKHAOADOJNLD-MWLCHTKSSA-N 2 2 276.331 -0.572 20 0 CBADLP O=C(NCC1([NH+]2CCCC2)COC1)[C@@H]1CC[NH2+]C[C@@H]1F ZINC001220197838 824985256 /nfs/dbraw/zinc/98/52/56/824985256.db2.gz UDRBPWHTXKZEFU-NEPJUHHUSA-N 2 2 285.363 -0.085 20 0 CBADLP CCOC(=O)CC1(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)COC1 ZINC001220214721 824987258 /nfs/dbraw/zinc/98/72/58/824987258.db2.gz FZAMWAYGCRFJKL-JTQLQIEISA-N 2 2 296.327 -0.882 20 0 CBADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NC1(c2cccnn2)CC1 ZINC001220209708 824987395 /nfs/dbraw/zinc/98/73/95/824987395.db2.gz BBIWYUUSEVFNJX-SNVBAGLBSA-N 2 2 272.312 -0.125 20 0 CBADLP CCOC(=O)CC1(NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)COC1 ZINC001220214722 824987423 /nfs/dbraw/zinc/98/74/23/824987423.db2.gz FZAMWAYGCRFJKL-SNVBAGLBSA-N 2 2 296.327 -0.882 20 0 CBADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](CCF)C[C@@H]1O ZINC001220237495 824991562 /nfs/dbraw/zinc/99/15/62/824991562.db2.gz ZDJRFLUOFHXNNN-MNOVXSKESA-N 2 2 261.341 -0.541 20 0 CBADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001220237495 824991567 /nfs/dbraw/zinc/99/15/67/824991567.db2.gz ZDJRFLUOFHXNNN-MNOVXSKESA-N 2 2 261.341 -0.541 20 0 CBADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCc1cnccn1 ZINC001220243690 824992264 /nfs/dbraw/zinc/99/22/64/824992264.db2.gz WNUBBGURBPFVKL-NSHDSACASA-N 2 2 260.301 -0.572 20 0 CBADLP O=C(NCCc1cnccn1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220242988 824992829 /nfs/dbraw/zinc/99/28/29/824992829.db2.gz MLKKWVPTEZIFJL-GXFFZTMASA-N 2 2 261.329 -0.913 20 0 CBADLP C[N@@H+]1CCC[C@@H]1CCNC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220252266 824996240 /nfs/dbraw/zinc/99/62/40/824996240.db2.gz UDWCYASKTATQHN-BZPMIXESSA-N 3 2 266.389 -0.462 20 0 CBADLP C[N@H+]1CCC[C@@H]1CCNC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220252266 824996242 /nfs/dbraw/zinc/99/62/42/824996242.db2.gz UDWCYASKTATQHN-BZPMIXESSA-N 3 2 266.389 -0.462 20 0 CBADLP C[N@@H+]1CCC[C@@H]1CCNC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220252268 824997091 /nfs/dbraw/zinc/99/70/91/824997091.db2.gz UDWCYASKTATQHN-SCRDCRAPSA-N 3 2 266.389 -0.462 20 0 CBADLP C[N@H+]1CCC[C@@H]1CCNC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220252268 824997095 /nfs/dbraw/zinc/99/70/95/824997095.db2.gz UDWCYASKTATQHN-SCRDCRAPSA-N 3 2 266.389 -0.462 20 0 CBADLP [NH3+]CCN(C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)c1cccnc1 ZINC001220261094 824997543 /nfs/dbraw/zinc/99/75/43/824997543.db2.gz QLWUZANTIVOTQN-LBPRGKRZSA-N 3 2 274.328 -0.334 20 0 CBADLP Cc1[nH+]c[nH]c1CSCCNC(=O)CN1CC[NH2+]CC1 ZINC001220257086 824998076 /nfs/dbraw/zinc/99/80/76/824998076.db2.gz NIMVYLVYWWIQSY-UHFFFAOYSA-N 2 2 297.428 -0.027 20 0 CBADLP O=C(N[C@@H]1CCc2n[nH]cc2C1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220260715 824998734 /nfs/dbraw/zinc/99/87/34/824998734.db2.gz DWVGWECDIIMWRW-WDMOLILDSA-N 2 2 275.356 -0.665 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NCCn1nnc2ccccc21 ZINC001220273046 825000778 /nfs/dbraw/zinc/00/07/78/825000778.db2.gz YZGTUEDAHJHLKN-UWVGGRQHSA-N 2 2 274.328 -0.906 20 0 CBADLP Cn1cc(CCNC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)cn1 ZINC001220277014 825003176 /nfs/dbraw/zinc/00/31/76/825003176.db2.gz XDNKTNHOMIYKQW-WZRBSPASSA-N 2 2 263.345 -0.699 20 0 CBADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)N[C@H]2COC(=O)C2)cc1 ZINC001220296032 825007268 /nfs/dbraw/zinc/00/72/68/825007268.db2.gz FFIVOWCUZBZBIT-GHMZBOCLSA-N 2 2 263.297 -0.310 20 0 CBADLP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N[C@@H](CO)Cc1c[nH]c[nH+]1 ZINC001220290628 825007295 /nfs/dbraw/zinc/00/72/95/825007295.db2.gz ARSMPRFRAWPXPQ-WCQGTBRESA-N 2 2 266.345 -0.183 20 0 CBADLP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N[C@@H](CO)Cc1c[nH+]c[nH]1 ZINC001220290628 825007303 /nfs/dbraw/zinc/00/73/03/825007303.db2.gz ARSMPRFRAWPXPQ-WCQGTBRESA-N 2 2 266.345 -0.183 20 0 CBADLP C[C@H]1CC[NH2+][C@H](C(=O)N[C@@H](CO)Cc2c[nH]c[nH+]2)C1 ZINC001220292059 825008453 /nfs/dbraw/zinc/00/84/53/825008453.db2.gz ZKLWJKZBJSDADP-WCQGTBRESA-N 2 2 266.345 -0.183 20 0 CBADLP C[C@H]1CC[NH2+][C@H](C(=O)N[C@@H](CO)Cc2c[nH+]c[nH]2)C1 ZINC001220292059 825008461 /nfs/dbraw/zinc/00/84/61/825008461.db2.gz ZKLWJKZBJSDADP-WCQGTBRESA-N 2 2 266.345 -0.183 20 0 CBADLP Cc1cc(NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)n(N)c(=O)c1 ZINC001220323157 825015895 /nfs/dbraw/zinc/01/58/95/825015895.db2.gz CMGUPJXJLNWCSA-SECBINFHSA-N 2 2 276.300 -0.898 20 0 CBADLP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001220334060 825016649 /nfs/dbraw/zinc/01/66/49/825016649.db2.gz ZYOKKHLJVFWQGO-MNOVXSKESA-N 2 2 295.391 -0.694 20 0 CBADLP COc1ccc(CNC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)nn1 ZINC001220342907 825017669 /nfs/dbraw/zinc/01/76/69/825017669.db2.gz ALYUWFJWIFRMQU-JTQLQIEISA-N 2 2 276.300 -0.606 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2cccn(CC3CC3)c2=O)C1 ZINC001220343704 825020013 /nfs/dbraw/zinc/02/00/13/825020013.db2.gz YXQNRIHVNCLDGR-PWSUYJOCSA-N 2 2 276.340 -0.114 20 0 CBADLP C[C@@H](NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)c1cnccn1 ZINC001220368429 825021240 /nfs/dbraw/zinc/02/12/40/825021240.db2.gz DXZDWIWUTLMDLR-FYLLDIAZSA-N 2 2 261.329 -0.396 20 0 CBADLP [NH3+]Cc1ccc2c(n1)N(C(=O)[C@@H]1COCC[NH2+]1)CCC2 ZINC001220377323 825025847 /nfs/dbraw/zinc/02/58/47/825025847.db2.gz SILKHOAAVQBBSE-LBPRGKRZSA-N 2 2 276.340 -0.192 20 0 CBADLP O=C(NCc1ncccc1O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220389688 825026425 /nfs/dbraw/zinc/02/64/25/825026425.db2.gz BULVMQIYBYKZHG-RNCFNFMXSA-N 2 2 262.313 -0.645 20 0 CBADLP C[NH+](C)CCC(C)(C)NC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220385923 825027546 /nfs/dbraw/zinc/02/75/46/825027546.db2.gz DKLRFXIHNAKHNC-BXUZGUMPSA-N 3 2 268.405 -0.216 20 0 CBADLP CCOC(=O)c1cccc(CNC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])n1 ZINC001220403673 825031950 /nfs/dbraw/zinc/03/19/50/825031950.db2.gz ZUEDBTGJMNZKNB-QWRGUYRKSA-N 2 2 292.339 -0.579 20 0 CBADLP COC(=O)[C@H]1CC[C@@H](NC(=O)C2([NH3+])CC[NH2+]CC2)C1 ZINC001220406743 825032616 /nfs/dbraw/zinc/03/26/16/825032616.db2.gz WIDPNXHWBSNUSE-VHSXEESVSA-N 2 2 269.345 -0.475 20 0 CBADLP COC(=O)[C@@H]1CC[C@@H](NC(=O)C2([NH3+])CC[NH2+]CC2)C1 ZINC001220406741 825033648 /nfs/dbraw/zinc/03/36/48/825033648.db2.gz WIDPNXHWBSNUSE-NXEZZACHSA-N 2 2 269.345 -0.475 20 0 CBADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](CO)C(F)(F)F ZINC001220447152 825041545 /nfs/dbraw/zinc/04/15/45/825041545.db2.gz CUCZVQPDVKEFLC-RNFRBKRXSA-N 2 2 266.223 -0.681 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N[C@@H](CO)C(F)(F)F ZINC001220447749 825041811 /nfs/dbraw/zinc/04/18/11/825041811.db2.gz OTZXHBFKDAQMCS-YUMQZZPRSA-N 2 2 280.250 -0.671 20 0 CBADLP COCCOc1ccc(CNC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])cn1 ZINC001220458385 825042321 /nfs/dbraw/zinc/04/23/21/825042321.db2.gz POAWKSMTJKQLFE-RYUDHWBXSA-N 2 2 294.355 -0.730 20 0 CBADLP CC(C)NC(=O)[C@@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])C(C)C ZINC001220464288 825044723 /nfs/dbraw/zinc/04/47/23/825044723.db2.gz HMYRFYCMDVJZEV-DCAQKATOSA-N 2 2 270.377 -0.802 20 0 CBADLP Cc1[nH][nH]c(=O)c1CCNC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220492492 825048089 /nfs/dbraw/zinc/04/80/89/825048089.db2.gz MOZVKQSMKVAADZ-NOZJJQNGSA-N 2 2 279.344 -0.966 20 0 CBADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NCC1([NH3+])CCCC1 ZINC001220494611 825050687 /nfs/dbraw/zinc/05/06/87/825050687.db2.gz PISNCBSIJNIJKK-SNVBAGLBSA-N 3 2 251.334 -0.333 20 0 CBADLP COC(C)(CNC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1)OC ZINC001220509287 825052560 /nfs/dbraw/zinc/05/25/60/825052560.db2.gz RVJCIMZIDSDPAU-SECBINFHSA-N 2 2 256.306 -0.595 20 0 CBADLP COC(C)(CNC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2)OC ZINC001220509224 825052805 /nfs/dbraw/zinc/05/28/05/825052805.db2.gz PKUHYYVHLXDHDQ-LNLATYFQSA-N 2 2 257.334 -0.667 20 0 CBADLP C[C@@H]1COCC[C@H]1NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220565985 825062718 /nfs/dbraw/zinc/06/27/18/825062718.db2.gz WMTFJVDDQGIFGS-DVVUODLYSA-N 2 2 252.318 -0.179 20 0 CBADLP C[C@H]1COCC[C@H]1NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001220565887 825064379 /nfs/dbraw/zinc/06/43/79/825064379.db2.gz UNFOTKHQRJTGQQ-KSLZLVKMSA-N 2 2 253.346 -0.251 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCC(F)(F)c2ccccn2)C1 ZINC001220571192 825065847 /nfs/dbraw/zinc/06/58/47/825065847.db2.gz LKJXPWYHAJEZJA-BDAKNGLRSA-N 2 2 270.283 -0.021 20 0 CBADLP COC(=O)[C@H](NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)C(F)(F)F ZINC001220587526 825071654 /nfs/dbraw/zinc/07/16/54/825071654.db2.gz DTKCBZFCPNTGOK-BQBZGAKWSA-N 2 2 294.233 -0.500 20 0 CBADLP COC(=O)[C@@H](NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)C(F)(F)F ZINC001220587527 825071821 /nfs/dbraw/zinc/07/18/21/825071821.db2.gz DTKCBZFCPNTGOK-NKWVEPMBSA-N 2 2 294.233 -0.500 20 0 CBADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N[C@H]2CNc3ccccc3C2)C1 ZINC001220601950 825074690 /nfs/dbraw/zinc/07/46/90/825074690.db2.gz PNLXXAPACSKXNN-LOWVWBTDSA-N 2 2 260.341 -0.171 20 0 CBADLP CCOC(=O)[C@@H]1CCC[C@@H]1NC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001220660620 825082676 /nfs/dbraw/zinc/08/26/76/825082676.db2.gz IZVIJHJNKKTCRJ-MNOVXSKESA-N 2 2 283.372 -0.085 20 0 CBADLP CC(=O)CC(C)(C)NC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220687205 825085981 /nfs/dbraw/zinc/08/59/81/825085981.db2.gz IUDOIPUSDKLFIN-GWCFXTLKSA-N 2 2 253.346 -0.188 20 0 CBADLP Nc1ncc(CCNC(=O)[C@@H]2C[C@H]([NH3+])C[NH2+]2)s1 ZINC001220703647 825088549 /nfs/dbraw/zinc/08/85/49/825088549.db2.gz DUYXDEOYEWBODC-XPUUQOCRSA-N 2 2 255.347 -0.927 20 0 CBADLP Nc1ncc(CCNC(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)s1 ZINC001220704260 825088656 /nfs/dbraw/zinc/08/86/56/825088656.db2.gz MSYNAXDCRAXDCL-PELKAZGASA-N 2 2 281.385 -0.665 20 0 CBADLP CC(C)(C)NC(=O)CCNC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220709010 825089579 /nfs/dbraw/zinc/08/95/79/825089579.db2.gz PCRFEAAHPPNRNH-IINYFYTJSA-N 2 2 282.388 -0.641 20 0 CBADLP C[C@](CO)(NC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2)c1ccccc1 ZINC001220711721 825090620 /nfs/dbraw/zinc/09/06/20/825090620.db2.gz RRZRQSKHZXARFY-IMJJTQAJSA-N 2 2 289.379 -0.038 20 0 CBADLP [NH3+]Cc1ncccc1NC(=O)[C@@H]([NH3+])Cc1c[nH]cn1 ZINC001220711033 825091250 /nfs/dbraw/zinc/09/12/50/825091250.db2.gz INPGEKVQXFRYEH-VIFPVBQESA-N 2 2 260.301 -0.228 20 0 CBADLP C[C@](CO)(NC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2)c1ccccc1 ZINC001220711720 825091269 /nfs/dbraw/zinc/09/12/69/825091269.db2.gz RRZRQSKHZXARFY-FVQBIDKESA-N 2 2 289.379 -0.038 20 0 CBADLP [NH3+]CC[C@H]([NH3+])C(=O)N[C@@H]1Cc2ccc(Cl)cc2NC1=O ZINC001220711202 825091310 /nfs/dbraw/zinc/09/13/10/825091310.db2.gz MGTGEXHFZQCYNE-GXSJLCMTSA-N 2 2 296.758 -0.005 20 0 CBADLP C[C@@](CO)(NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])c1ccccc1 ZINC001220711546 825091873 /nfs/dbraw/zinc/09/18/73/825091873.db2.gz PJJCLMZRGJSNLV-OBJOEFQTSA-N 2 2 263.341 -0.443 20 0 CBADLP CC(C)(C)NC(=O)CCNC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001220709472 825091898 /nfs/dbraw/zinc/09/18/98/825091898.db2.gz YVAMWEOTGXUPQK-BDAKNGLRSA-N 2 2 256.350 -0.903 20 0 CBADLP COC(CCCNC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2)OC ZINC001220741721 825095398 /nfs/dbraw/zinc/09/53/98/825095398.db2.gz QRQNODJLKQWOFH-GXFFZTMASA-N 2 2 271.361 -0.547 20 0 CBADLP CCOCC[N@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001220757631 825097251 /nfs/dbraw/zinc/09/72/51/825097251.db2.gz PMRSWQPEITYKSH-OLZOCXBDSA-N 2 2 296.371 -0.840 20 0 CBADLP CCOCC[N@@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001220757631 825097259 /nfs/dbraw/zinc/09/72/59/825097259.db2.gz PMRSWQPEITYKSH-OLZOCXBDSA-N 2 2 296.371 -0.840 20 0 CBADLP [NH3+][C@@]12CC[C@@](NC(=O)[C@@]34C[NH2+]C[C@H]3CC[NH2+]4)(C1)CCC2 ZINC001220777514 825100929 /nfs/dbraw/zinc/10/09/29/825100929.db2.gz UCEMYCHZFSVUSV-FAAHXZRKSA-N 3 2 278.400 -0.142 20 0 CBADLP C[NH2+]CCC(=O)N[C@@H](Cc1c[nH+]cn1C)C(=O)OC ZINC001220771723 825100998 /nfs/dbraw/zinc/10/09/98/825100998.db2.gz CIBBPCQIQSBDLM-JTQLQIEISA-N 2 2 268.317 -0.770 20 0 CBADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N[C@H]2CC[NH2+]C[C@@H]2C(F)(F)F)C1 ZINC001220806043 825104157 /nfs/dbraw/zinc/10/41/57/825104157.db2.gz XEXRLXJMJRDRRX-JBDRJPRFSA-N 3 2 280.294 -0.668 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N[C@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001220802944 825104159 /nfs/dbraw/zinc/10/41/59/825104159.db2.gz AJMFLVTVLCATRW-KZVJFYERSA-N 3 2 280.294 -0.810 20 0 CBADLP CCOC(=O)C1=C(NC(=O)[C@@H](C)n2cc[nH+]c2)C[NH2+]C1 ZINC001220825633 825107574 /nfs/dbraw/zinc/10/75/74/825107574.db2.gz OWAHCSBVJVYPDT-SECBINFHSA-N 2 2 278.312 -0.019 20 0 CBADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001220829529 825108321 /nfs/dbraw/zinc/10/83/21/825108321.db2.gz WEYUKTZSWRAFCR-MNOVXSKESA-N 2 2 261.341 -0.541 20 0 CBADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCF)C[C@@H]1O ZINC001220829529 825108313 /nfs/dbraw/zinc/10/83/13/825108313.db2.gz WEYUKTZSWRAFCR-MNOVXSKESA-N 2 2 261.341 -0.541 20 0 CBADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCF)C[C@@H]1O ZINC001220829529 825108314 /nfs/dbraw/zinc/10/83/14/825108314.db2.gz WEYUKTZSWRAFCR-MNOVXSKESA-N 2 2 261.341 -0.541 20 0 CBADLP CCOC(=O)C1=C(NC(=O)Cc2cc[nH+]c(N)c2)C[NH2+]C1 ZINC001220830060 825109312 /nfs/dbraw/zinc/10/93/12/825109312.db2.gz LUVSVHWMZNXWBH-UHFFFAOYSA-N 2 2 290.323 -0.257 20 0 CBADLP CCOC(=O)[C@H](C)CNC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220848706 825110388 /nfs/dbraw/zinc/11/03/88/825110388.db2.gz GMHWBBSXAHUODL-NRUUGDAUSA-N 2 2 269.345 -0.747 20 0 CBADLP CCOC(=O)[C@@H](C)CNC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001220848784 825111236 /nfs/dbraw/zinc/11/12/36/825111236.db2.gz IWIIKPRRFGOYOP-WTBMIXGQSA-N 2 2 269.345 -0.476 20 0 CBADLP CCOC(=O)[C@H](C)CNC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220849036 825112259 /nfs/dbraw/zinc/11/22/59/825112259.db2.gz QSFHCQXGCPMFNR-VPOLOUISSA-N 2 2 269.345 -0.748 20 0 CBADLP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220857794 825113413 /nfs/dbraw/zinc/11/34/13/825113413.db2.gz RYMYIXJRRSNEHN-ZJUUUORDSA-N 3 2 253.350 -0.231 20 0 CBADLP O=C(NCCO[C@@H]1CCCCO1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220862083 825113438 /nfs/dbraw/zinc/11/34/38/825113438.db2.gz OOBJXMOXVXXRKZ-SCRDCRAPSA-N 2 2 283.372 -0.403 20 0 CBADLP [NH3+]Cc1ccccc1CNC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001220855292 825113737 /nfs/dbraw/zinc/11/37/37/825113737.db2.gz SVVYSGOZVDIVMB-UHFFFAOYSA-N 3 2 262.357 -0.158 20 0 CBADLP COC(=O)[C@@H]1C[C@H]1CNC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220881972 825120218 /nfs/dbraw/zinc/12/02/18/825120218.db2.gz QRKISORNUQERIU-FXBDTBDDSA-N 2 2 266.301 -0.795 20 0 CBADLP Cc1noc(C2(NC(=O)[C@@]34CC[C@@H]([NH2+]3)[C@H]([NH3+])C4)CC2)n1 ZINC001220932145 825125847 /nfs/dbraw/zinc/12/58/47/825125847.db2.gz HMVQBKPDQZVTEI-KKFJDGPESA-N 2 2 277.328 -0.295 20 0 CBADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)[C@@H]1C[NH2+]C[C@H]1O ZINC001220933879 825125859 /nfs/dbraw/zinc/12/58/59/825125859.db2.gz DTMLKGOWQJAHIE-IJLUTSLNSA-N 2 2 276.340 -0.643 20 0 CBADLP Cc1noc(C2(NC(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)CC2)n1 ZINC001220932017 825125892 /nfs/dbraw/zinc/12/58/92/825125892.db2.gz FMQDDJMEFVPBRW-SFYZADRCSA-N 2 2 251.290 -0.827 20 0 CBADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)NCCO[C@@H]2CC[NH2+]C2)cc1 ZINC001220939826 825127929 /nfs/dbraw/zinc/12/79/29/825127929.db2.gz XNRRWBYINGBTNM-KGLIPLIRSA-N 3 2 292.383 -0.247 20 0 CBADLP COc1ccc(CNC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)nc1OC ZINC001220955294 825128733 /nfs/dbraw/zinc/12/87/33/825128733.db2.gz HSEIPBUJEHHCQU-SCZZXKLOSA-N 2 2 280.328 -0.596 20 0 CBADLP O=C(NCC1(c2cnccn2)CC1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220992162 825131764 /nfs/dbraw/zinc/13/17/64/825131764.db2.gz GETOWORFZWNOBC-SDDRHHMPSA-N 2 2 287.367 -0.426 20 0 CBADLP C[C@@H]1C[C@@H](NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)CCO1 ZINC001221007813 825134324 /nfs/dbraw/zinc/13/43/24/825134324.db2.gz DJGYYCLSMILKFM-WCABBAIRSA-N 2 2 252.318 -0.037 20 0 CBADLP C[C@@H]1C[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)CCO1 ZINC001221008272 825135622 /nfs/dbraw/zinc/13/56/22/825135622.db2.gz PDWOOVKWUAMAFM-UZWSLXQKSA-N 2 2 253.346 -0.378 20 0 CBADLP COC[C@H](NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)C1CC1 ZINC001221013816 825137591 /nfs/dbraw/zinc/13/75/91/825137591.db2.gz XXJFTFCHFZTQAU-QWRGUYRKSA-N 2 2 252.318 -0.179 20 0 CBADLP [NH3+]C[C@H](O)CC(=O)NCc1c[nH+]cn1C1CCC1 ZINC001221023379 825139143 /nfs/dbraw/zinc/13/91/43/825139143.db2.gz JTAUPYHFIRKIMV-LLVKDONJSA-N 2 2 252.318 -0.066 20 0 CBADLP O=C(NCc1c[nH+]cn1C1CCC1)[C@H]1C[NH2+]C[C@@H]1O ZINC001221023455 825139253 /nfs/dbraw/zinc/13/92/53/825139253.db2.gz LZTNFFJOUNYMKR-RYUDHWBXSA-N 2 2 264.329 -0.195 20 0 CBADLP CCOc1cccc(CNC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)n1 ZINC001221065356 825139961 /nfs/dbraw/zinc/13/99/61/825139961.db2.gz HNXAXDMVJCLLNG-KOLCDFICSA-N 2 2 264.329 -0.214 20 0 CBADLP COC(=O)c1ccc(CNC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)[nH]1 ZINC001221079449 825141276 /nfs/dbraw/zinc/14/12/76/825141276.db2.gz AGZGEVSUINCRBM-JTQLQIEISA-N 2 2 291.311 -0.289 20 0 CBADLP O=C(NC1(c2cnccn2)CC1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001221082477 825141327 /nfs/dbraw/zinc/14/13/27/825141327.db2.gz VLINRMNNFNLPIG-QMTHXVAHSA-N 2 2 273.340 -0.467 20 0 CBADLP COC(=O)c1ccc(CNC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)[nH]1 ZINC001221079499 825141527 /nfs/dbraw/zinc/14/15/27/825141527.db2.gz CCEWDCHFOLBZSO-RULNRJAQSA-N 2 2 292.339 -0.361 20 0 CBADLP O=C(NCc1ccnn1CCF)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001221105872 825145193 /nfs/dbraw/zinc/14/51/93/825145193.db2.gz DWIRMIPJIUUWLU-GXFFZTMASA-N 2 2 281.335 -0.580 20 0 CBADLP C[C@H](O)CCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001221164554 825148911 /nfs/dbraw/zinc/14/89/11/825148911.db2.gz LWHCKLVUSLJNRV-XQQFMLRXSA-N 2 2 296.371 -0.795 20 0 CBADLP C[C@H](O)CCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001221164554 825148914 /nfs/dbraw/zinc/14/89/14/825148914.db2.gz LWHCKLVUSLJNRV-XQQFMLRXSA-N 2 2 296.371 -0.795 20 0 CBADLP COCC1(CNC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)CCOCC1 ZINC001221176719 825150392 /nfs/dbraw/zinc/15/03/92/825150392.db2.gz KTSNJGTWIKFYFT-JMSVASOKSA-N 2 2 297.399 -0.232 20 0 CBADLP CC(C)(C)[NH+]1CC(NC(=O)[C@@H]([NH3+])Cc2c[nH]cn2)C1 ZINC001221195133 825152517 /nfs/dbraw/zinc/15/25/17/825152517.db2.gz ZNTMOYXXUDWMPB-NSHDSACASA-N 2 2 265.361 -0.122 20 0 CBADLP CC(C)(C)[NH+]1CC(NC(=O)[C@@H]([NH3+])Cc2cnc[nH]2)C1 ZINC001221195133 825152522 /nfs/dbraw/zinc/15/25/22/825152522.db2.gz ZNTMOYXXUDWMPB-NSHDSACASA-N 2 2 265.361 -0.122 20 0 CBADLP O=C(NCc1nc2cc[nH]cc-2n1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001221194070 825153174 /nfs/dbraw/zinc/15/31/74/825153174.db2.gz KUGYTJUHIIMSQE-YMTOWFKASA-N 2 2 286.339 -0.474 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N[C@H]1C[C@@](C)([NH3+])C1 ZINC001221238643 825159380 /nfs/dbraw/zinc/15/93/80/825159380.db2.gz BAIFEWAHOOGHPG-PTOFAABTSA-N 3 2 251.334 -0.714 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N[C@@H]1CCOC[C@@H]1F ZINC001221244228 825160163 /nfs/dbraw/zinc/16/01/63/825160163.db2.gz SRUWHSIMQZUZSD-GARJFASQSA-N 2 2 270.308 -0.467 20 0 CBADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)NC2CN(C3COC3)C2)cc1 ZINC001221245774 825160313 /nfs/dbraw/zinc/16/03/13/825160313.db2.gz CAFAVJLXHBVALG-CQSZACIVSA-N 2 2 290.367 -0.542 20 0 CBADLP CC(C)(O)[C@H](F)CNC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001221260647 825163215 /nfs/dbraw/zinc/16/32/15/825163215.db2.gz UFZBMJRWKBAWAQ-YGOYTEALSA-N 2 2 259.325 -0.837 20 0 CBADLP CC(C)(O)[C@H](F)CNC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001221260112 825163281 /nfs/dbraw/zinc/16/32/81/825163281.db2.gz HVBCHZDPWBOWBL-RKDXNWHRSA-N 2 2 258.297 -0.495 20 0 CBADLP CC(C)(O)[C@H](F)CNC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001221260140 825164434 /nfs/dbraw/zinc/16/44/34/825164434.db2.gz IUVIUYIKYDLRTD-AXTSPUMRSA-N 2 2 259.325 -0.839 20 0 CBADLP CC[C@H](C)[C@H](NC(=O)[C@@H]([NH3+])CC[NH3+])C(=O)N(C)C ZINC001221278532 825167322 /nfs/dbraw/zinc/16/73/22/825167322.db2.gz WPTQJVDWAWGWOR-GUBZILKMSA-N 2 2 258.366 -0.718 20 0 CBADLP [NH3+]C1(C(=O)NCc2cnc(Cl)cn2)CC[NH2+]CC1 ZINC001221319181 825171294 /nfs/dbraw/zinc/17/12/94/825171294.db2.gz PHPHUGSTNKRAQS-UHFFFAOYSA-N 2 2 269.736 -0.173 20 0 CBADLP O=C(NCc1cnc(Cl)cn1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001221319289 825171397 /nfs/dbraw/zinc/17/13/97/825171397.db2.gz UONRESBJCWBLGI-PRHODGIISA-N 2 2 281.747 -0.302 20 0 CBADLP [NH3+]C[C@@H]1Cc2ccccc2CN1C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001221332410 825171985 /nfs/dbraw/zinc/17/19/85/825171985.db2.gz JYHSOYXZMSLVCP-IHRRRGAJSA-N 3 2 274.368 -0.555 20 0 CBADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)NC2=CCOC2=O)cc1 ZINC001221329531 825172621 /nfs/dbraw/zinc/17/26/21/825172621.db2.gz RHMLXQQTJNVVFQ-JTQLQIEISA-N 2 2 261.281 -0.184 20 0 CBADLP COC(=O)[C@@H]1C[C@H](C(=O)NCCCC[NH3+])CC[NH2+]1 ZINC001221345247 825174790 /nfs/dbraw/zinc/17/47/90/825174790.db2.gz ROHFNZVPUJYDMA-ZJUUUORDSA-N 2 2 257.334 -0.617 20 0 CBADLP COC1CC(CNC(=O)[C@@H](N)C[NH+]2CCC([NH3+])CC2)C1 ZINC001221367991 825177142 /nfs/dbraw/zinc/17/71/42/825177142.db2.gz VKYMCPGQPXYEMV-GDKBPFBDSA-N 2 2 284.404 -0.722 20 0 CBADLP COC1CC(CNC(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)C1 ZINC001221368777 825177220 /nfs/dbraw/zinc/17/72/20/825177220.db2.gz ZOOZIZYZXJNLIF-DTZXXLCVSA-N 2 2 253.346 -0.521 20 0 CBADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)NC[C@@H]2CNC(=O)O2)cc1 ZINC001221371022 825177475 /nfs/dbraw/zinc/17/74/75/825177475.db2.gz VQDYZKXCWXWHNI-MNOVXSKESA-N 2 2 278.312 -0.517 20 0 CBADLP NC1=CC=C(C2CCN(C(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)CC2)[NH2+]C1 ZINC001221391707 825180658 /nfs/dbraw/zinc/18/06/58/825180658.db2.gz FUGXRXXZYWZAQF-OCCSQVGLSA-N 3 2 291.399 -0.756 20 0 CBADLP C[S@](=O)CC[C@H]([NH3+])C(=O)NCCOc1cc[nH+]cc1 ZINC001221393413 825181384 /nfs/dbraw/zinc/18/13/84/825181384.db2.gz CWLPQKWUOXHECM-WLRWDXFRSA-N 2 2 285.369 -0.328 20 0 CBADLP O=C(C[C@H]1COCC[NH2+]1)NCCOc1cc[nH+]cc1 ZINC001221394267 825181422 /nfs/dbraw/zinc/18/14/22/825181422.db2.gz YRUGTAKIKRFUJV-NSHDSACASA-N 2 2 265.313 -0.045 20 0 CBADLP C[C@]1(NC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)CCCOC1 ZINC001221402585 825183353 /nfs/dbraw/zinc/18/33/53/825183353.db2.gz ISVLBHSAFWHOGD-KQXIARHKSA-N 2 2 253.346 -0.378 20 0 CBADLP CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)[C@@H](C)C1 ZINC001221407237 825184533 /nfs/dbraw/zinc/18/45/33/825184533.db2.gz KPSIWTRPNFBCER-GARJFASQSA-N 2 2 295.391 -0.696 20 0 CBADLP CC(C)[N@H+]1CC[C@@H](NC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)[C@@H](C)C1 ZINC001221407237 825184534 /nfs/dbraw/zinc/18/45/34/825184534.db2.gz KPSIWTRPNFBCER-GARJFASQSA-N 2 2 295.391 -0.696 20 0 CBADLP O=C(N[C@H](C1CCC1)C1C[NH2+]C1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001221410207 825185650 /nfs/dbraw/zinc/18/56/50/825185650.db2.gz QFZDSWXFGNVBTK-UMVBOHGHSA-N 3 2 278.400 -0.558 20 0 CBADLP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])[C@H](C)C1 ZINC001221409529 825186164 /nfs/dbraw/zinc/18/61/64/825186164.db2.gz OSQYEBRINRIXBZ-VOAKCMCISA-N 3 2 268.405 -0.232 20 0 CBADLP CC(C)[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])[C@H](C)C1 ZINC001221409529 825186169 /nfs/dbraw/zinc/18/61/69/825186169.db2.gz OSQYEBRINRIXBZ-VOAKCMCISA-N 3 2 268.405 -0.232 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001222097865 825200832 /nfs/dbraw/zinc/20/08/32/825200832.db2.gz IBMBDKAAMUYAFS-NWDGAFQWSA-N 2 2 293.371 -0.402 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NCC1CC[NH+](CC(N)=O)CC1 ZINC001225435660 825255756 /nfs/dbraw/zinc/25/57/56/825255756.db2.gz NEDMRNFCJQCMSO-UHFFFAOYSA-N 2 2 293.371 -0.495 20 0 CBADLP c1c(CN2CC[NH2+]C[C@]23CC[NH2+]C3)nc2n1CC[NH2+]C2 ZINC001234979365 825480538 /nfs/dbraw/zinc/48/05/38/825480538.db2.gz CRSJGQCIUUAIBA-CQSZACIVSA-N 3 2 276.388 -0.876 20 0 CBADLP c1nc2n(c1CN1CC[NH2+]C[C@@]13CC[NH2+]C3)CC[NH2+]C2 ZINC001234992687 825482578 /nfs/dbraw/zinc/48/25/78/825482578.db2.gz KQEQRFGDEXJWPU-AWEZNQCLSA-N 3 2 276.388 -0.876 20 0 CBADLP FC1(C[N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)CC[NH2+]CC1 ZINC001235054374 825484847 /nfs/dbraw/zinc/48/48/47/825484847.db2.gz WVWRQZOFZGHZPE-ZDUSSCGKSA-N 3 2 256.369 -0.285 20 0 CBADLP FC1(C[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)CC[NH2+]CC1 ZINC001235054374 825484851 /nfs/dbraw/zinc/48/48/51/825484851.db2.gz WVWRQZOFZGHZPE-ZDUSSCGKSA-N 3 2 256.369 -0.285 20 0 CBADLP CNC(=O)CO[C@@H]1CO[C@]2(C1)CCC[N@H+](C[C@@H](C)[NH3+])C2 ZINC001235517676 825500107 /nfs/dbraw/zinc/50/01/07/825500107.db2.gz PYZGWJBDFDOYOX-DYEKYZERSA-N 2 2 285.388 -0.280 20 0 CBADLP CNC(=O)CO[C@@H]1CO[C@]2(C1)CCC[N@@H+](C[C@@H](C)[NH3+])C2 ZINC001235517676 825500112 /nfs/dbraw/zinc/50/01/12/825500112.db2.gz PYZGWJBDFDOYOX-DYEKYZERSA-N 2 2 285.388 -0.280 20 0 CBADLP CN(C)C(=O)[C@@H]1CCO[C@@H]2CC[N@H+](CC[NH3+])C[C@H]21 ZINC001235550343 825503553 /nfs/dbraw/zinc/50/35/53/825503553.db2.gz QITYROFKKPOKRV-GRYCIOLGSA-N 2 2 255.362 -0.240 20 0 CBADLP CN(C)C(=O)[C@@H]1CCO[C@@H]2CC[N@@H+](CC[NH3+])C[C@H]21 ZINC001235550343 825503556 /nfs/dbraw/zinc/50/35/56/825503556.db2.gz QITYROFKKPOKRV-GRYCIOLGSA-N 2 2 255.362 -0.240 20 0 CBADLP C[C@H]([NH3+])C[N@@H+]1CCC[C@]2(CCN(CC(=O)N(C)C)C2=O)C1 ZINC001235552204 825503688 /nfs/dbraw/zinc/50/36/88/825503688.db2.gz ZJDQIYPHQNQPRS-WFASDCNBSA-N 2 2 296.415 -0.264 20 0 CBADLP C[C@H]([NH3+])C[N@H+]1CCC[C@]2(CCN(CC(=O)N(C)C)C2=O)C1 ZINC001235552204 825503690 /nfs/dbraw/zinc/50/36/90/825503690.db2.gz ZJDQIYPHQNQPRS-WFASDCNBSA-N 2 2 296.415 -0.264 20 0 CBADLP [NH3+]CCN1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001235567074 825504217 /nfs/dbraw/zinc/50/42/17/825504217.db2.gz BVEQUSDPTFPKFW-UHFFFAOYSA-N 2 2 288.355 -0.348 20 0 CBADLP CC1(C)[NH2+]C[C@@H](CN2CC[N@H+](CC(N)=O)C(C)(C)C2)O1 ZINC001235890731 825517565 /nfs/dbraw/zinc/51/75/65/825517565.db2.gz GDMMIDNELMMDDQ-NSHDSACASA-N 2 2 284.404 -0.408 20 0 CBADLP CC1(C)[NH2+]C[C@@H](CN2CC[N@@H+](CC(N)=O)C(C)(C)C2)O1 ZINC001235890731 825517571 /nfs/dbraw/zinc/51/75/71/825517571.db2.gz GDMMIDNELMMDDQ-NSHDSACASA-N 2 2 284.404 -0.408 20 0 CBADLP COc1ncc(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])cn1 ZINC001235994348 825519232 /nfs/dbraw/zinc/51/92/32/825519232.db2.gz VGQFINLRHVIWGB-FOSCPWQOSA-N 2 2 264.329 -0.109 20 0 CBADLP COc1ncc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])cn1 ZINC001235994348 825519240 /nfs/dbraw/zinc/51/92/40/825519240.db2.gz VGQFINLRHVIWGB-FOSCPWQOSA-N 2 2 264.329 -0.109 20 0 CBADLP CC1(C)[NH2+]C[C@@H](C[N@H+]2CCC[C@H](N3CC([NH3+])C3)C2)O1 ZINC001236073420 825522329 /nfs/dbraw/zinc/52/23/29/825522329.db2.gz MYLASWTUYBOVKF-STQMWFEESA-N 3 2 268.405 -0.182 20 0 CBADLP CC1(C)[NH2+]C[C@@H](C[N@@H+]2CCC[C@H](N3CC([NH3+])C3)C2)O1 ZINC001236073420 825522327 /nfs/dbraw/zinc/52/23/27/825522327.db2.gz MYLASWTUYBOVKF-STQMWFEESA-N 3 2 268.405 -0.182 20 0 CBADLP COC(=O)[C@@H]1CN(Cc2c(C)[nH+]cn2C)C[C@@H]1[NH3+] ZINC001236357718 825531869 /nfs/dbraw/zinc/53/18/69/825531869.db2.gz SUSATBGVCUDFPM-ZJUUUORDSA-N 2 2 252.318 -0.339 20 0 CBADLP COC(=O)[C@H]1CN(Cc2c(C)[nH+]cn2C)C[C@H]1[NH3+] ZINC001236357714 825531876 /nfs/dbraw/zinc/53/18/76/825531876.db2.gz SUSATBGVCUDFPM-VHSXEESVSA-N 2 2 252.318 -0.339 20 0 CBADLP [NH3+]CCS(=O)(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC001238812058 825564212 /nfs/dbraw/zinc/56/42/12/825564212.db2.gz MLAKWJQHRIYBSM-SNVBAGLBSA-N 2 2 270.358 -0.462 20 0 CBADLP [NH3+]CCS(=O)(=O)N1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001239171648 825594985 /nfs/dbraw/zinc/59/49/85/825594985.db2.gz ZLHKGCZAYQTSEA-ZCFIWIBFSA-N 2 2 261.269 -0.889 20 0 CBADLP O=C(Nc1nccs1)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001239287032 825598985 /nfs/dbraw/zinc/59/89/85/825598985.db2.gz SOBIITQZHAPGKP-UHFFFAOYSA-N 2 2 298.416 -0.241 20 0 CBADLP CCCCCNC(=O)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001239288994 825599458 /nfs/dbraw/zinc/59/94/58/825599458.db2.gz YXXDQNWMUOHDIS-UHFFFAOYSA-N 2 2 285.436 -0.029 20 0 CBADLP O[C@H](C[NH2+]C[C@H]1CCC[NH2+]1)CC1(O)CC[NH2+]CC1 ZINC001245982270 825616168 /nfs/dbraw/zinc/61/61/68/825616168.db2.gz OAQPSOFAMHJYSM-NEPJUHHUSA-N 3 2 257.378 -0.807 20 0 CBADLP O[C@H](C[NH2+][C@@H]1CCCC[NH2+]C1)CC1(O)CC[NH2+]CC1 ZINC001245986951 825618056 /nfs/dbraw/zinc/61/80/56/825618056.db2.gz AHMFHMCMFRCNAN-OLZOCXBDSA-N 3 2 271.405 -0.416 20 0 CBADLP CCOC(=O)[C@H]([NH3+])CNC[C@H](O)C[NH+](CC)CC ZINC001246006018 825620577 /nfs/dbraw/zinc/62/05/77/825620577.db2.gz GKJLPYPRTUSQEY-WDEREUQCSA-N 2 2 261.366 -0.831 20 0 CBADLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1C[C@H](O)CN1CCOCC1 ZINC001246017053 825620623 /nfs/dbraw/zinc/62/06/23/825620623.db2.gz PZDRSNIFOAEEPX-RWMBFGLXSA-N 2 2 257.378 -0.509 20 0 CBADLP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1C[C@H](O)CN1CCOCC1 ZINC001246017053 825620629 /nfs/dbraw/zinc/62/06/29/825620629.db2.gz PZDRSNIFOAEEPX-RWMBFGLXSA-N 2 2 257.378 -0.509 20 0 CBADLP C[C@]1([NH3+])CC[N@H+](C[C@H](O)CC2(O)CC[NH2+]CC2)C1 ZINC001246014519 825620697 /nfs/dbraw/zinc/62/06/97/825620697.db2.gz OSRWTYKZCNLDFT-NEPJUHHUSA-N 3 2 257.378 -0.725 20 0 CBADLP C[C@]1([NH3+])CC[N@@H+](C[C@H](O)CC2(O)CC[NH2+]CC2)C1 ZINC001246014519 825620700 /nfs/dbraw/zinc/62/07/00/825620700.db2.gz OSRWTYKZCNLDFT-NEPJUHHUSA-N 3 2 257.378 -0.725 20 0 CBADLP [NH3+]CCCC[NH2+]CCC[NH2+]C[C@]1(O)CCC[NH2+]C1 ZINC001246011155 825621473 /nfs/dbraw/zinc/62/14/73/825621473.db2.gz SHXAOXVICGTPFT-ZDUSSCGKSA-N 4 2 258.410 -0.591 20 0 CBADLP [NH3+]C[C@@H](NC[C@H](O)C[NH+]1CCOCC1)c1ccccc1 ZINC001246022454 825623925 /nfs/dbraw/zinc/62/39/25/825623925.db2.gz YDGADJGBKIMUQS-LSDHHAIUSA-N 2 2 279.384 -0.031 20 0 CBADLP [NH3+][C@@H]1C[C@H](F)CN(C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC001246021007 825624340 /nfs/dbraw/zinc/62/43/40/825624340.db2.gz KUIWDWOYICFNRI-TUAOUCFPSA-N 2 2 261.341 -0.949 20 0 CBADLP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1C[C@@H](O)CC1(O)CC[NH2+]CC1 ZINC001246025671 825626153 /nfs/dbraw/zinc/62/61/53/825626153.db2.gz ZHQWYKUVDDXTPG-GRYCIOLGSA-N 3 2 257.378 -0.727 20 0 CBADLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1C[C@@H](O)CC1(O)CC[NH2+]CC1 ZINC001246025671 825626155 /nfs/dbraw/zinc/62/61/55/825626155.db2.gz ZHQWYKUVDDXTPG-GRYCIOLGSA-N 3 2 257.378 -0.727 20 0 CBADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](C[C@@H](O)CN2CCOCC2)C1 ZINC001246027779 825626201 /nfs/dbraw/zinc/62/62/01/825626201.db2.gz YMNMTWKTSZIIBD-MCIONIFRSA-N 2 2 271.405 -0.261 20 0 CBADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](C[C@@H](O)CN2CCOCC2)C1 ZINC001246027779 825626206 /nfs/dbraw/zinc/62/62/06/825626206.db2.gz YMNMTWKTSZIIBD-MCIONIFRSA-N 2 2 271.405 -0.261 20 0 CBADLP [NH3+][C@@H]1CN(C[C@@H](O)CC2(O)CC[NH2+]CC2)CCC1(F)F ZINC001246031070 825627141 /nfs/dbraw/zinc/62/71/41/825627141.db2.gz HMAQDZRSCWVCHV-WDEREUQCSA-N 2 2 293.358 -0.480 20 0 CBADLP COC(=O)[C@@H]1CC[C@@H]([NH2+]CCn2cc[nH+]c2)CN1 ZINC001246072902 825632750 /nfs/dbraw/zinc/63/27/50/825632750.db2.gz MWASSWWGYGNHOK-MNOVXSKESA-N 2 2 252.318 -0.234 20 0 CBADLP CCOC(=O)c1c(C[NH3+])ncn1[C@@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001246094446 825635171 /nfs/dbraw/zinc/63/51/71/825635171.db2.gz MLDKMWUEAYZEGM-IUCAKERBSA-N 2 2 296.327 -0.406 20 0 CBADLP C[C@@H](CC(=O)N1CCOCC1)[NH2+][C@H]1CCC[NH2+]C1 ZINC001246119052 825637653 /nfs/dbraw/zinc/63/76/53/825637653.db2.gz AJEUMARLQJDCMI-RYUDHWBXSA-N 2 2 255.362 -0.035 20 0 CBADLP CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H]2C[NH2+][C@@H]3COC[C@H]23)CN1 ZINC001246132420 825638634 /nfs/dbraw/zinc/63/86/34/825638634.db2.gz CQHZKEYUSUYEAA-UJPOAAIJSA-N 2 2 283.372 -0.754 20 0 CBADLP COC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H]2C[NH2+]CC23CC3)CN1 ZINC001246131467 825638939 /nfs/dbraw/zinc/63/89/39/825638939.db2.gz KENYBFSRVJUJLH-OUAUKWLOSA-N 2 2 253.346 -0.378 20 0 CBADLP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@]2(F)CC[NH2+]C2)CN1 ZINC001246139431 825640468 /nfs/dbraw/zinc/64/04/68/825640468.db2.gz CZFMHVTURPJPSA-JBLDHEPKSA-N 2 2 259.325 -0.429 20 0 CBADLP C([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001246148481 825641367 /nfs/dbraw/zinc/64/13/67/825641367.db2.gz SOXSEEMVWFKYBM-ZIAGYGMSSA-N 4 2 293.459 -0.456 20 0 CBADLP CC(C)(C)OC(=O)[C@@H]1C[C@@H]([NH2+][C@H]2CO[C@@H]3C[NH2+]C[C@H]23)CN1 ZINC001246149694 825641682 /nfs/dbraw/zinc/64/16/82/825641682.db2.gz SSGOSTXNVCRGJD-NAWOPXAZSA-N 2 2 297.399 -0.365 20 0 CBADLP CC(C)(C)OC(=O)[C@@H]1C[C@@H](N[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)C[NH2+]1 ZINC001246149694 825641686 /nfs/dbraw/zinc/64/16/86/825641686.db2.gz SSGOSTXNVCRGJD-NAWOPXAZSA-N 2 2 297.399 -0.365 20 0 CBADLP COC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@@H]3[NH2+]CCO[C@@H]23)CN1 ZINC001246151167 825642061 /nfs/dbraw/zinc/64/20/61/825642061.db2.gz PEIUUOPBHVFTMO-PJSNJIKXSA-N 2 2 283.372 -0.611 20 0 CBADLP C[C@H]1CC[C@@H]([NH2+]CCOCCOCCOCCO)C[NH2+]1 ZINC001246203374 825649975 /nfs/dbraw/zinc/64/99/75/825649975.db2.gz VDWNKPFAJBZCKV-UONOGXRCSA-N 2 2 290.404 -0.241 20 0 CBADLP C[C@H]1CC[C@@H]([NH2+]CCNC(=O)N2CCOCC2)C[NH2+]1 ZINC001246209433 825650402 /nfs/dbraw/zinc/65/04/02/825650402.db2.gz HZUDTUXXPZGDCQ-NWDGAFQWSA-N 2 2 270.377 -0.242 20 0 CBADLP COC(=O)[C@@H]1CC[C@@H](NC(=[NH2+])N2CC[NH+](C)CC2)CN1 ZINC001246233243 825653958 /nfs/dbraw/zinc/65/39/58/825653958.db2.gz INSZARWWWGBWTK-MNOVXSKESA-N 2 2 283.376 -0.948 20 0 CBADLP COC(=O)[C@H]1C[C@H](NC2(C(F)(F)F)C[NH2+]C2)C[NH2+]1 ZINC001246251865 825656533 /nfs/dbraw/zinc/65/65/33/825656533.db2.gz FNDKEQKBLYDCLN-NKWVEPMBSA-N 2 2 267.251 -0.616 20 0 CBADLP COC(=O)[C@@H]1C[C@H]([NH2+]CCC[N@H+](C)CCC[NH3+])CN1 ZINC001246285768 825659124 /nfs/dbraw/zinc/65/91/24/825659124.db2.gz VWEIVSINWRAPRM-RYUDHWBXSA-N 3 2 272.393 -0.850 20 0 CBADLP COC(=O)[C@@H]1C[C@H]([NH2+]CCC[N@@H+](C)CCC[NH3+])CN1 ZINC001246285768 825659128 /nfs/dbraw/zinc/65/91/28/825659128.db2.gz VWEIVSINWRAPRM-RYUDHWBXSA-N 3 2 272.393 -0.850 20 0 CBADLP C[N@H+](CCC[NH3+])CCC[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246285334 825659312 /nfs/dbraw/zinc/65/93/12/825659312.db2.gz RZPHLTDPGHRVFW-CYBMUJFWSA-N 4 2 269.437 -0.659 20 0 CBADLP C[N@@H+](CCC[NH3+])CCC[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246285334 825659319 /nfs/dbraw/zinc/65/93/19/825659319.db2.gz RZPHLTDPGHRVFW-CYBMUJFWSA-N 4 2 269.437 -0.659 20 0 CBADLP CC[C@]1(C(=O)OC)C[C@H](N[C@H]2C[NH2+]CCC2=O)C[NH2+]1 ZINC001246285932 825659409 /nfs/dbraw/zinc/65/94/09/825659409.db2.gz AGEOLHWECWANJN-OUJBWJOFSA-N 2 2 269.345 -0.809 20 0 CBADLP COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)[C@@H]2C[NH2+]CCO2)CN1 ZINC001246289314 825661178 /nfs/dbraw/zinc/66/11/78/825661178.db2.gz CJMMAAGOUXBSQB-BJDJZHNGSA-N 2 2 271.361 -0.754 20 0 CBADLP OC[C@@H]1C[NH2+]C[C@H]1[NH2+]C1CCN(c2ncccn2)CC1 ZINC001246301238 825661882 /nfs/dbraw/zinc/66/18/82/825661882.db2.gz WYFZNKYYEKEXMA-WCQYABFASA-N 2 2 277.372 -0.385 20 0 CBADLP CCOC(=O)CN1CCC([NH2+][C@@H]2C[NH2+]C[C@H]2CO)CC1 ZINC001246300321 825661896 /nfs/dbraw/zinc/66/18/96/825661896.db2.gz QTYSLIOFHNPLQA-WCQYABFASA-N 2 2 285.388 -0.816 20 0 CBADLP CC(C)(C)OC(=O)[C@@H]1C[C@H](N[C@@H]2C[NH2+]C[C@@H]2CO)C[NH2+]1 ZINC001246305997 825663131 /nfs/dbraw/zinc/66/31/31/825663131.db2.gz KGXBWZQKXRDYMF-NOOOWODRSA-N 2 2 285.388 -0.772 20 0 CBADLP COC(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2C[NH2+]C[C@@H]2CO)C1 ZINC001246308983 825663674 /nfs/dbraw/zinc/66/36/74/825663674.db2.gz QGMWCJKEBZUAAH-WYUUTHIRSA-N 2 2 256.346 -0.112 20 0 CBADLP O=C1C[C@H]([NH2+][C@H]2C[NH2+]C[C@H]2CO)CCN1C1CC1 ZINC001246312688 825663703 /nfs/dbraw/zinc/66/37/03/825663703.db2.gz YNNMSVHJPUIKCX-UMNHJUIQSA-N 2 2 253.346 -0.690 20 0 CBADLP [NH3+]CCC(=O)NCCc1c[nH+]cn1C1CC[NH2+]CC1 ZINC001246326422 825664653 /nfs/dbraw/zinc/66/46/53/825664653.db2.gz UUHXWTULRNCATA-UHFFFAOYSA-N 3 2 265.361 -0.185 20 0 CBADLP COC(=O)[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1CC[C@@H](C(=O)OC)NC1 ZINC001246319632 825664671 /nfs/dbraw/zinc/66/46/71/825664671.db2.gz FNYOLSVOFPZXCP-USZNOCQGSA-N 2 2 299.371 -0.979 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](Nc2cccnc2C[NH3+])C[NH2+]1 ZINC001246327553 825664735 /nfs/dbraw/zinc/66/47/35/825664735.db2.gz SRNXAMFGZABDIY-SCZZXKLOSA-N 2 2 250.302 -0.144 20 0 CBADLP C[C@H]1CC[C@H]([NH2+]CCN2CCS(=O)(=O)CC2)C[NH2+]1 ZINC001246337956 825667319 /nfs/dbraw/zinc/66/73/19/825667319.db2.gz YPHLMGJLEKOCRK-RYUDHWBXSA-N 2 2 275.418 -0.553 20 0 CBADLP COC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CN1 ZINC001246349498 825667856 /nfs/dbraw/zinc/66/78/56/825667856.db2.gz RESOAEJDFNNHFM-MTVMDMGHSA-N 2 2 253.346 -0.238 20 0 CBADLP C1[NH2+]CC12C[C@@H]([NH2+][C@H]1CC[N@@H+](C3CCOCC3)C1)CCN2 ZINC001246362252 825669079 /nfs/dbraw/zinc/66/90/79/825669079.db2.gz OKKVHTWNPCSFGV-KBPBESRZSA-N 3 2 294.443 -0.077 20 0 CBADLP C1[NH2+]CC12C[C@@H]([NH2+][C@H]1CC[N@H+](C3CCOCC3)C1)CCN2 ZINC001246362252 825669086 /nfs/dbraw/zinc/66/90/86/825669086.db2.gz OKKVHTWNPCSFGV-KBPBESRZSA-N 3 2 294.443 -0.077 20 0 CBADLP COC(=O)[C@@H]1CC[C@@H]([NH2+][C@H]2C[C@@H]3COC[C@H](C2)[NH2+]3)CN1 ZINC001246391765 825670805 /nfs/dbraw/zinc/67/08/05/825670805.db2.gz URLSFWKPDSNFCG-LBELIVKGSA-N 2 2 283.372 -0.611 20 0 CBADLP CC[C@]1(C(=O)OC)C[C@H]([NH2+]CCC[NH2+]CCC[NH3+])CN1 ZINC001246453413 825674089 /nfs/dbraw/zinc/67/40/89/825674089.db2.gz NULWZIAUAZFPEZ-GXTWGEPZSA-N 3 2 286.420 -0.412 20 0 CBADLP CCOC(=O)[C@@H]1C[C@@H]([NH2+]CCC[NH2+]CCC[NH3+])CCN1 ZINC001246453764 825674225 /nfs/dbraw/zinc/67/42/25/825674225.db2.gz PJYVFMREPIOMBW-STQMWFEESA-N 3 2 286.420 -0.412 20 0 CBADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCC[NH2+]CCC[NH3+])CN1 ZINC001246450824 825674261 /nfs/dbraw/zinc/67/42/61/825674261.db2.gz DDWKCSUMURBMFB-STQMWFEESA-N 3 2 286.420 -0.412 20 0 CBADLP COC(=O)[C@@H]1CC[C@@H]([NH2+]C2(CO)CC[NH+](C)CC2)CN1 ZINC001246509311 825678694 /nfs/dbraw/zinc/67/86/94/825678694.db2.gz HGOFXOVFIAXTBH-NEPJUHHUSA-N 2 2 285.388 -0.674 20 0 CBADLP COC(=O)[C@@H]1C[C@H](n2cc[nH+]c2CCC[NH3+])C[NH2+]1 ZINC001246522485 825680027 /nfs/dbraw/zinc/68/00/27/825680027.db2.gz CWDJYRXEFXGBSG-UWVGGRQHSA-N 3 2 252.318 -0.150 20 0 CBADLP COC(=O)[C@@H]1C[C@@H]([NH2+]CCc2[nH+]ccn2C)CN1 ZINC001246525805 825681943 /nfs/dbraw/zinc/68/19/43/825681943.db2.gz OEUDMYTXUSNTAB-ZJUUUORDSA-N 2 2 252.318 -0.544 20 0 CBADLP COC(=O)[C@@H]1C[C@H]([N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)CN1 ZINC001246548338 825684997 /nfs/dbraw/zinc/68/49/97/825684997.db2.gz GENWKUUEPDLRLX-RHYQMDGZSA-N 2 2 255.362 -0.193 20 0 CBADLP COC(=O)[C@@H]1C[C@H]([N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)CN1 ZINC001246548338 825685002 /nfs/dbraw/zinc/68/50/02/825685002.db2.gz GENWKUUEPDLRLX-RHYQMDGZSA-N 2 2 255.362 -0.193 20 0 CBADLP [NH3+][C@@H]1C[N@@H+]([C@H]2CCC[C@@H](n3ncnn3)C2)C[C@H]1O ZINC001246558871 825686763 /nfs/dbraw/zinc/68/67/63/825686763.db2.gz RMXAESHKHOQMGA-LNFKQOIKSA-N 2 2 252.322 -0.839 20 0 CBADLP [NH3+][C@@H]1C[N@H+]([C@H]2CCC[C@@H](n3ncnn3)C2)C[C@H]1O ZINC001246558871 825686780 /nfs/dbraw/zinc/68/67/80/825686780.db2.gz RMXAESHKHOQMGA-LNFKQOIKSA-N 2 2 252.322 -0.839 20 0 CBADLP COC(=O)[C@@H]1C[C@H]([N@@H+]2CCC[C@@H](C[NH3+])[C@H]2C)CN1 ZINC001246567331 825688025 /nfs/dbraw/zinc/68/80/25/825688025.db2.gz XISZLVPKJCOVPS-RHYQMDGZSA-N 2 2 255.362 -0.051 20 0 CBADLP COC(=O)[C@@H]1C[C@H]([N@H+]2CCC[C@@H](C[NH3+])[C@H]2C)CN1 ZINC001246567331 825688027 /nfs/dbraw/zinc/68/80/27/825688027.db2.gz XISZLVPKJCOVPS-RHYQMDGZSA-N 2 2 255.362 -0.051 20 0 CBADLP COC(=O)[C@@H]1CC[C@@H]([N@@H+]2CC[NH2+]C[C@H](C)C2)CN1 ZINC001246576027 825688739 /nfs/dbraw/zinc/68/87/39/825688739.db2.gz YKKQKCGWVKCQEA-TUAOUCFPSA-N 2 2 255.362 -0.179 20 0 CBADLP COC(=O)[C@@H]1CC[C@@H]([N@H+]2CC[NH2+]C[C@H](C)C2)CN1 ZINC001246576027 825688745 /nfs/dbraw/zinc/68/87/45/825688745.db2.gz YKKQKCGWVKCQEA-TUAOUCFPSA-N 2 2 255.362 -0.179 20 0 CBADLP COCCC[NH+]1CCC([N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)CC1 ZINC001246578798 825689116 /nfs/dbraw/zinc/68/91/16/825689116.db2.gz CHIKDQNQYKRIPC-JSGCOSHPSA-N 3 2 271.405 -0.261 20 0 CBADLP COCCC[NH+]1CCC([N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)CC1 ZINC001246578798 825689120 /nfs/dbraw/zinc/68/91/20/825689120.db2.gz CHIKDQNQYKRIPC-JSGCOSHPSA-N 3 2 271.405 -0.261 20 0 CBADLP COC(=O)[C@@H]1C[C@H]([N@@H+]2C[C@H](C[NH3+])CC[C@@H]2C)CN1 ZINC001246588936 825690499 /nfs/dbraw/zinc/69/04/99/825690499.db2.gz BRVWOZJQXMVRCC-BJDJZHNGSA-N 2 2 255.362 -0.051 20 0 CBADLP COC(=O)[C@@H]1C[C@H]([N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)CN1 ZINC001246588936 825690502 /nfs/dbraw/zinc/69/05/02/825690502.db2.gz BRVWOZJQXMVRCC-BJDJZHNGSA-N 2 2 255.362 -0.051 20 0 CBADLP CCOC(=O)[C@@H]1C[C@H]([NH+]2CC(C)(C[NH3+])C2)CCN1 ZINC001246595545 825692088 /nfs/dbraw/zinc/69/20/88/825692088.db2.gz IGWMRJMCVGMJSY-MNOVXSKESA-N 2 2 255.362 -0.049 20 0 CBADLP CC(=O)N1CC[C@@H]([N@@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)C1 ZINC001246617542 825695282 /nfs/dbraw/zinc/69/52/82/825695282.db2.gz GXFNIGBYAUJWDM-RDBSUJKOSA-N 2 2 266.389 -0.367 20 0 CBADLP CC(=O)N1CC[C@@H]([N@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)C1 ZINC001246617542 825695288 /nfs/dbraw/zinc/69/52/88/825695288.db2.gz GXFNIGBYAUJWDM-RDBSUJKOSA-N 2 2 266.389 -0.367 20 0 CBADLP C[C@@H]1C[C@H]([N@@H+]2CC3(C[NH2+]C3)[C@]3(CCNC3=O)C2)CC[NH2+]1 ZINC001246623118 825696583 /nfs/dbraw/zinc/69/65/83/825696583.db2.gz BEEFLXBDUYESSU-LALPHHSUSA-N 3 2 278.400 -0.462 20 0 CBADLP C[C@@H]1C[C@H]([N@H+]2CC3(C[NH2+]C3)[C@]3(CCNC3=O)C2)CC[NH2+]1 ZINC001246623118 825696587 /nfs/dbraw/zinc/69/65/87/825696587.db2.gz BEEFLXBDUYESSU-LALPHHSUSA-N 3 2 278.400 -0.462 20 0 CBADLP C[C@@H]1C[C@H]([N@@H+]2CC3(C[NH2+]C3)[C@@]3(CCNC3=O)C2)CC[NH2+]1 ZINC001246623105 825696878 /nfs/dbraw/zinc/69/68/78/825696878.db2.gz BEEFLXBDUYESSU-JMSVASOKSA-N 3 2 278.400 -0.462 20 0 CBADLP C[C@@H]1C[C@H]([N@H+]2CC3(C[NH2+]C3)[C@@]3(CCNC3=O)C2)CC[NH2+]1 ZINC001246623105 825696882 /nfs/dbraw/zinc/69/68/82/825696882.db2.gz BEEFLXBDUYESSU-JMSVASOKSA-N 3 2 278.400 -0.462 20 0 CBADLP C[C@H]1C[C@@H]([N@@H+]2CC(=O)NC3(CC[NH2+]CC3)C2)CC[NH2+]1 ZINC001246626581 825698199 /nfs/dbraw/zinc/69/81/99/825698199.db2.gz JUWJVZFNOXYCMV-RYUDHWBXSA-N 3 2 266.389 -0.319 20 0 CBADLP C[C@H]1C[C@@H]([N@H+]2CC(=O)NC3(CC[NH2+]CC3)C2)CC[NH2+]1 ZINC001246626581 825698203 /nfs/dbraw/zinc/69/82/03/825698203.db2.gz JUWJVZFNOXYCMV-RYUDHWBXSA-N 3 2 266.389 -0.319 20 0 CBADLP CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)CO1 ZINC001246638144 825699804 /nfs/dbraw/zinc/69/98/04/825699804.db2.gz BNPYNSOLDZNLTE-VNHYZAJKSA-N 2 2 297.399 -0.266 20 0 CBADLP CCOC(=O)[C@@H]1CC[C@@H]([N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)CO1 ZINC001246638144 825699809 /nfs/dbraw/zinc/69/98/09/825699809.db2.gz BNPYNSOLDZNLTE-VNHYZAJKSA-N 2 2 297.399 -0.266 20 0 CBADLP C1[NH2+]CC12C[C@@H]([N@@H+]1CCC[C@@]3(C[NH2+]CCO3)C1)CCN2 ZINC001246645110 825702038 /nfs/dbraw/zinc/70/20/38/825702038.db2.gz BCJBQUJMCVRFJS-DZGCQCFKSA-N 3 2 280.416 -0.465 20 0 CBADLP C1[NH2+]CC12C[C@@H]([N@H+]1CCC[C@@]3(C[NH2+]CCO3)C1)CCN2 ZINC001246645110 825702042 /nfs/dbraw/zinc/70/20/42/825702042.db2.gz BCJBQUJMCVRFJS-DZGCQCFKSA-N 3 2 280.416 -0.465 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](N2CC[NH+](C[C@@H]3CCCO3)CC2)C[NH2+]1 ZINC001246775053 825710760 /nfs/dbraw/zinc/71/07/60/825710760.db2.gz GVJWRZUHDSRKSV-RDBSUJKOSA-N 2 2 297.399 -0.314 20 0 CBADLP Cc1nnc2n1CC[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246799054 825713215 /nfs/dbraw/zinc/71/32/15/825713215.db2.gz VHIRYNYDZXHKAT-NSHDSACASA-N 2 2 262.361 -0.504 20 0 CBADLP Cc1nnc2n1CC[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246799054 825713221 /nfs/dbraw/zinc/71/32/21/825713221.db2.gz VHIRYNYDZXHKAT-NSHDSACASA-N 2 2 262.361 -0.504 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](N2CC([NH+]3CCCC3)C2)C[NH2+]1 ZINC001246802763 825713303 /nfs/dbraw/zinc/71/33/03/825713303.db2.gz WJJRYEQWIWMNSL-PWSUYJOCSA-N 2 2 253.346 -0.330 20 0 CBADLP CC1(C)CN([C@H]2CCC[NH2+]C2)CC[N@@H+]1CC(N)=O ZINC001246819959 825715806 /nfs/dbraw/zinc/71/58/06/825715806.db2.gz LRWZXNAJPRYQIO-NSHDSACASA-N 2 2 254.378 -0.380 20 0 CBADLP CC1(C)CN([C@H]2CCC[NH2+]C2)CC[N@H+]1CC(N)=O ZINC001246819959 825715809 /nfs/dbraw/zinc/71/58/09/825715809.db2.gz LRWZXNAJPRYQIO-NSHDSACASA-N 2 2 254.378 -0.380 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](N2CC([N@H+](C)[C@@H]3CCOC3)C2)C[NH2+]1 ZINC001246819793 825716224 /nfs/dbraw/zinc/71/62/24/825716224.db2.gz JSLAAOIWDRGQCF-WZRBSPASSA-N 2 2 283.372 -0.705 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](N2CC([N@@H+](C)[C@@H]3CCOC3)C2)C[NH2+]1 ZINC001246819793 825716229 /nfs/dbraw/zinc/71/62/29/825716229.db2.gz JSLAAOIWDRGQCF-WZRBSPASSA-N 2 2 283.372 -0.705 20 0 CBADLP COC(=O)[C@@H]1C[C@H](N2CCC[C@H]3C[N@H+](C)C[C@@H]32)C[NH2+]1 ZINC001246830469 825718727 /nfs/dbraw/zinc/71/87/27/825718727.db2.gz HRXFOXLMAXMUFW-CYDGBPFRSA-N 2 2 267.373 -0.084 20 0 CBADLP COC(=O)[C@@H]1C[C@H](N2CCC[C@H]3C[N@@H+](C)C[C@@H]32)C[NH2+]1 ZINC001246830469 825718733 /nfs/dbraw/zinc/71/87/33/825718733.db2.gz HRXFOXLMAXMUFW-CYDGBPFRSA-N 2 2 267.373 -0.084 20 0 CBADLP COC(=O)[C@@H]1C[C@H](N2CC[C@H]([NH3+])C(F)(F)C2)C[NH2+]1 ZINC001246832407 825719383 /nfs/dbraw/zinc/71/93/83/825719383.db2.gz BYOSEATWDLYITH-CIUDSAMLSA-N 2 2 263.288 -0.442 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)C[NH2+]1 ZINC001246841782 825720109 /nfs/dbraw/zinc/72/01/09/825720109.db2.gz OLUUHWARHWOVRY-KXNHARMFSA-N 2 2 253.346 -0.617 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)C[NH2+]1 ZINC001246841782 825720114 /nfs/dbraw/zinc/72/01/14/825720114.db2.gz OLUUHWARHWOVRY-KXNHARMFSA-N 2 2 253.346 -0.617 20 0 CBADLP COC(=O)[C@@H]1C[C@@H]([N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)CN1 ZINC001246841782 825720120 /nfs/dbraw/zinc/72/01/20/825720120.db2.gz OLUUHWARHWOVRY-KXNHARMFSA-N 2 2 253.346 -0.617 20 0 CBADLP COC(=O)[C@@H]1C[C@@H]([N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)CN1 ZINC001246841782 825720124 /nfs/dbraw/zinc/72/01/24/825720124.db2.gz OLUUHWARHWOVRY-KXNHARMFSA-N 2 2 253.346 -0.617 20 0 CBADLP COC(=O)[C@@H]1C[C@@H]([NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)CN1 ZINC001246841782 825720130 /nfs/dbraw/zinc/72/01/30/825720130.db2.gz OLUUHWARHWOVRY-KXNHARMFSA-N 2 2 253.346 -0.617 20 0 CBADLP COC(=O)[C@@H]1C[C@@H]([NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)CN1 ZINC001246841782 825720135 /nfs/dbraw/zinc/72/01/35/825720135.db2.gz OLUUHWARHWOVRY-KXNHARMFSA-N 2 2 253.346 -0.617 20 0 CBADLP CCOC(=O)C1([NH3+])CCN([C@H]2C[NH2+][C@H](C(=O)OC)C2)CC1 ZINC001246867865 825726111 /nfs/dbraw/zinc/72/61/11/825726111.db2.gz KUQRLAXXHRUWRJ-MNOVXSKESA-N 2 2 299.371 -0.754 20 0 CBADLP COC(=O)[C@@H]1C[C@H]([NH+]2CC3(C2)CC[NH+](C)CC3)CN1 ZINC001246869184 825726131 /nfs/dbraw/zinc/72/61/31/825726131.db2.gz FRMFERZAZTVAQQ-RYUDHWBXSA-N 2 2 267.373 -0.083 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](N2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[NH2+]1 ZINC001246869201 825726174 /nfs/dbraw/zinc/72/61/74/825726174.db2.gz UMYNNOJPITYQOD-KXNHARMFSA-N 2 2 253.346 -0.332 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](N2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[NH2+]1 ZINC001246869201 825726179 /nfs/dbraw/zinc/72/61/79/825726179.db2.gz UMYNNOJPITYQOD-KXNHARMFSA-N 2 2 253.346 -0.332 20 0 CBADLP O=C1COC2(CC[NH+]([C@H]3CCC[NH2+]C3)CC2)CN1 ZINC001246880793 825727613 /nfs/dbraw/zinc/72/76/13/825727613.db2.gz SMSVTLVTXVOAEY-NSHDSACASA-N 2 2 253.346 -0.281 20 0 CBADLP CCOC(=O)CN1CCC([N@@H+]2C[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC001246916475 825731182 /nfs/dbraw/zinc/73/11/82/825731182.db2.gz HTLDZHFJYWQXPJ-AAEUAGOBSA-N 2 2 267.373 -0.083 20 0 CBADLP CCOC(=O)CN1CCC([N@H+]2C[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC001246916475 825731186 /nfs/dbraw/zinc/73/11/86/825731186.db2.gz HTLDZHFJYWQXPJ-AAEUAGOBSA-N 2 2 267.373 -0.083 20 0 CBADLP CCOC(=O)C[NH+]1CCC(N2C[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC001246916475 825731190 /nfs/dbraw/zinc/73/11/90/825731190.db2.gz HTLDZHFJYWQXPJ-AAEUAGOBSA-N 2 2 267.373 -0.083 20 0 CBADLP CCOC(=O)CN1CCC([N@@H+]2C[C@H]3C[NH2+]C[C@@H]32)CC1 ZINC001246916478 825731216 /nfs/dbraw/zinc/73/12/16/825731216.db2.gz HTLDZHFJYWQXPJ-YPMHNXCESA-N 2 2 267.373 -0.083 20 0 CBADLP CCOC(=O)CN1CCC([N@H+]2C[C@H]3C[NH2+]C[C@@H]32)CC1 ZINC001246916478 825731218 /nfs/dbraw/zinc/73/12/18/825731218.db2.gz HTLDZHFJYWQXPJ-YPMHNXCESA-N 2 2 267.373 -0.083 20 0 CBADLP CCOC(=O)C[NH+]1CCC(N2C[C@H]3C[NH2+]C[C@@H]32)CC1 ZINC001246916478 825731224 /nfs/dbraw/zinc/73/12/24/825731224.db2.gz HTLDZHFJYWQXPJ-YPMHNXCESA-N 2 2 267.373 -0.083 20 0 CBADLP COC(=O)[C@H]([NH3+])[C@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC001246920822 825731854 /nfs/dbraw/zinc/73/18/54/825731854.db2.gz JYWCWGAXHUWITI-CMPLNLGQSA-N 2 2 255.362 -0.049 20 0 CBADLP COC(=O)[C@@H]1CN(C2C[C@@H]3COC[C@H](C2)[N@@H+]3C)C[C@H]1[NH3+] ZINC001246937319 825734613 /nfs/dbraw/zinc/73/46/13/825734613.db2.gz NCYLNCRFJDSMCF-ZLOUSURVSA-N 2 2 283.372 -0.720 20 0 CBADLP COC(=O)[C@@H]1CN(C2C[C@@H]3COC[C@H](C2)[N@H+]3C)C[C@H]1[NH3+] ZINC001246937319 825734617 /nfs/dbraw/zinc/73/46/17/825734617.db2.gz NCYLNCRFJDSMCF-ZLOUSURVSA-N 2 2 283.372 -0.720 20 0 CBADLP COC(=O)[C@@H]1CC[C@@H]([N@H+](C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)CN1 ZINC001246949631 825736530 /nfs/dbraw/zinc/73/65/30/825736530.db2.gz UVNDPIXXDWEWIY-GCHJQGSQSA-N 2 2 253.346 -0.570 20 0 CBADLP COC(=O)[C@@H]1CC[C@@H]([N@@H+](C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)CN1 ZINC001246949631 825736534 /nfs/dbraw/zinc/73/65/34/825736534.db2.gz UVNDPIXXDWEWIY-GCHJQGSQSA-N 2 2 253.346 -0.570 20 0 CBADLP Cc1[nH]c2c([nH+]1)CC[NH+](C[C@H](O)CN1CCOCC1)CC2 ZINC001251008473 825759771 /nfs/dbraw/zinc/75/97/71/825759771.db2.gz AJYHUKVSOHHMFN-ZDUSSCGKSA-N 2 2 294.399 -0.188 20 0 CBADLP Cc1[nH+]cc(NC[C@H](O)C[NH+]2CCOCC2)n1C ZINC001251011544 825761524 /nfs/dbraw/zinc/76/15/24/825761524.db2.gz MQBYDVPFPMQKMN-NSHDSACASA-N 2 2 254.334 -0.166 20 0 CBADLP C[N@H+](C1CN(C[C@@H](O)C[NH+]2CCOCC2)C1)[C@H]1CCOC1 ZINC001251018436 825763095 /nfs/dbraw/zinc/76/30/95/825763095.db2.gz ILVHNLACHKDFQQ-ZFWWWQNUSA-N 2 2 299.415 -0.916 20 0 CBADLP C[N@@H+](C1CN(C[C@@H](O)C[NH+]2CCOCC2)C1)[C@H]1CCOC1 ZINC001251018436 825763099 /nfs/dbraw/zinc/76/30/99/825763099.db2.gz ILVHNLACHKDFQQ-ZFWWWQNUSA-N 2 2 299.415 -0.916 20 0 CBADLP OC[C@@H](O)C[NH+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001252057100 825819706 /nfs/dbraw/zinc/81/97/06/825819706.db2.gz FGENHQGYOJZTLT-KKUMJFAQSA-N 2 2 277.368 -0.202 20 0 CBADLP OC[C@@H](O)C[NH+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001252059129 825821907 /nfs/dbraw/zinc/82/19/07/825821907.db2.gz QRRHPCFGQBTORE-NFAWXSAZSA-N 2 2 277.368 -0.202 20 0 CBADLP CCCCOC[C@@H](O)CNC(=[NH2+])N1CC[NH+](C)CC1 ZINC001252531429 825874841 /nfs/dbraw/zinc/87/48/41/825874841.db2.gz YVPSZSUURXNZGM-LBPRGKRZSA-N 2 2 272.393 -0.064 20 0 CBADLP CC(C)OC[C@H](O)CNC(=[NH2+])N1CC[NH+](C)CC1 ZINC001252693872 825885203 /nfs/dbraw/zinc/88/52/03/825885203.db2.gz WDQYFVCHJSQKKT-LLVKDONJSA-N 2 2 258.366 -0.456 20 0 CBADLP CNC(=O)C[N@@H+]1CCCC12CC[NH+](C[C@H](O)COC)CC2 ZINC001252814818 825889933 /nfs/dbraw/zinc/88/99/33/825889933.db2.gz GRSINJMEVWDFES-ZDUSSCGKSA-N 2 2 299.415 -0.330 20 0 CBADLP CNC(=O)C[N@H+]1CCCC12CC[NH+](C[C@H](O)COC)CC2 ZINC001252814818 825889941 /nfs/dbraw/zinc/88/99/41/825889941.db2.gz GRSINJMEVWDFES-ZDUSSCGKSA-N 2 2 299.415 -0.330 20 0 CBADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1CC[C@@H](O)[C@](C)(CO)C1 ZINC001253180396 825903000 /nfs/dbraw/zinc/90/30/00/825903000.db2.gz BRCBUFBKNNCSSR-MJBXVCDLSA-N 2 2 274.405 -0.246 20 0 CBADLP CC[NH+](CC)C[C@H](O)C[N@H+]1CC[C@@H](O)[C@](C)(CO)C1 ZINC001253180396 825903004 /nfs/dbraw/zinc/90/30/04/825903004.db2.gz BRCBUFBKNNCSSR-MJBXVCDLSA-N 2 2 274.405 -0.246 20 0 CBADLP CC[NH+](CC)C[C@H](O)C[N@H+]1CCC(=O)N(C)CC1 ZINC001253189176 825904362 /nfs/dbraw/zinc/90/43/62/825904362.db2.gz HIIQWLQLRRYPJO-LBPRGKRZSA-N 2 2 257.378 -0.147 20 0 CBADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1CCC(=O)N(C)CC1 ZINC001253189176 825904369 /nfs/dbraw/zinc/90/43/69/825904369.db2.gz HIIQWLQLRRYPJO-LBPRGKRZSA-N 2 2 257.378 -0.147 20 0 CBADLP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CC[C@H](OCC(=O)OC)C1 ZINC001253194727 825904472 /nfs/dbraw/zinc/90/44/72/825904472.db2.gz KCMDBUAKPHFAJY-OLZOCXBDSA-N 2 2 288.388 -0.047 20 0 CBADLP CC[NH+](CC)C[C@@H](O)C[N@H+]1CC[C@H](OCC(=O)OC)C1 ZINC001253194727 825904478 /nfs/dbraw/zinc/90/44/78/825904478.db2.gz KCMDBUAKPHFAJY-OLZOCXBDSA-N 2 2 288.388 -0.047 20 0 CBADLP CC[NH+](CC)C[C@@H](O)CN[C@@H](Cc1c[nH]c[nH+]1)C(=O)OC ZINC001253203521 825905327 /nfs/dbraw/zinc/90/53/27/825905327.db2.gz VHAIWNVCSGKVPD-STQMWFEESA-N 2 2 298.387 -0.214 20 0 CBADLP CC[NH+](CC)C[C@@H](O)CN[C@@H](Cc1c[nH+]c[nH]1)C(=O)OC ZINC001253203521 825905332 /nfs/dbraw/zinc/90/53/32/825905332.db2.gz VHAIWNVCSGKVPD-STQMWFEESA-N 2 2 298.387 -0.214 20 0 CBADLP CC[NH+](CC)C[C@H](O)C[NH2+]C1CC2(C1)CS(=O)(=O)C2 ZINC001253205747 825905740 /nfs/dbraw/zinc/90/57/40/825905740.db2.gz FVNKTUFJUPFUEH-GFCCVEGCSA-N 2 2 290.429 -0.144 20 0 CBADLP CC[NH+](CC)C[C@H](O)C[NH2+][C@@]1(C)CCC(=O)NC1=O ZINC001253209629 825905766 /nfs/dbraw/zinc/90/57/66/825905766.db2.gz GRJRJROITKIRKL-MFKMUULPSA-N 2 2 271.361 -0.526 20 0 CBADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CC[C@H](O)[C@@](C)(CO)C1 ZINC001253389646 825910343 /nfs/dbraw/zinc/91/03/43/825910343.db2.gz HGDRYGIHDONBMQ-MBNYWOFBSA-N 2 2 274.405 -0.199 20 0 CBADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CC[C@H](O)[C@@](C)(CO)C1 ZINC001253389646 825910350 /nfs/dbraw/zinc/91/03/50/825910350.db2.gz HGDRYGIHDONBMQ-MBNYWOFBSA-N 2 2 274.405 -0.199 20 0 CBADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CC[C@@H](O)[C@@](C)(CO)C1 ZINC001253389647 825910835 /nfs/dbraw/zinc/91/08/35/825910835.db2.gz HGDRYGIHDONBMQ-YRGRVCCFSA-N 2 2 274.405 -0.199 20 0 CBADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CC[C@@H](O)[C@@](C)(CO)C1 ZINC001253389647 825910840 /nfs/dbraw/zinc/91/08/40/825910840.db2.gz HGDRYGIHDONBMQ-YRGRVCCFSA-N 2 2 274.405 -0.199 20 0 CBADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CCOC[C@](C)(O)C1 ZINC001253390957 825912413 /nfs/dbraw/zinc/91/24/13/825912413.db2.gz ZZGNRQUVJRHHJQ-DGCLKSJQSA-N 2 2 260.378 -0.181 20 0 CBADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CCOC[C@](C)(O)C1 ZINC001253390957 825912418 /nfs/dbraw/zinc/91/24/18/825912418.db2.gz ZZGNRQUVJRHHJQ-DGCLKSJQSA-N 2 2 260.378 -0.181 20 0 CBADLP CCOC(=O)C[NH+]1CCC(NC2(C[NH3+])COC2)CC1 ZINC001254395385 825961515 /nfs/dbraw/zinc/96/15/15/825961515.db2.gz JJLQRISNZLMQSZ-UHFFFAOYSA-N 2 2 271.361 -0.669 20 0 CBADLP C[N@@H+]1CCC[C@H]([NH2+]CCC[NH+](CCO)CCO)CC1 ZINC001254499163 825964670 /nfs/dbraw/zinc/96/46/70/825964670.db2.gz BLOZOSALWOVAHA-AWEZNQCLSA-N 3 2 273.421 -0.263 20 0 CBADLP C[N@H+]1CCC[C@H]([NH2+]CCC[NH+](CCO)CCO)CC1 ZINC001254499163 825964673 /nfs/dbraw/zinc/96/46/73/825964673.db2.gz BLOZOSALWOVAHA-AWEZNQCLSA-N 3 2 273.421 -0.263 20 0 CBADLP COC(=O)CC[C@H]([NH2+][C@@H]1CCC[N@H+](C)CC1)C(N)=O ZINC001254510726 825965474 /nfs/dbraw/zinc/96/54/74/825965474.db2.gz PNMPHUQCHLYYCX-MNOVXSKESA-N 2 2 271.361 -0.133 20 0 CBADLP COC(=O)CC[C@H]([NH2+][C@@H]1CCC[N@@H+](C)CC1)C(N)=O ZINC001254510726 825965477 /nfs/dbraw/zinc/96/54/77/825965477.db2.gz PNMPHUQCHLYYCX-MNOVXSKESA-N 2 2 271.361 -0.133 20 0 CBADLP COC(=O)[C@H](Cc1c[nH+]cn1C)N[C@@H]1CC[N@H+](C)C1 ZINC001255419019 825981590 /nfs/dbraw/zinc/98/15/90/825981590.db2.gz GHQCVLRDNKCSBL-PWSUYJOCSA-N 2 2 266.345 -0.202 20 0 CBADLP COC(=O)[C@H](Cc1c[nH+]cn1C)N[C@@H]1CC[N@@H+](C)C1 ZINC001255419019 825981593 /nfs/dbraw/zinc/98/15/93/825981593.db2.gz GHQCVLRDNKCSBL-PWSUYJOCSA-N 2 2 266.345 -0.202 20 0 CBADLP CC[NH+](CC)CC[C@H](C)[NH2+][C@@H](CC(N)=O)C(N)=O ZINC001255950875 825996107 /nfs/dbraw/zinc/99/61/07/825996107.db2.gz DPSKHAAVIPKADY-UWVGGRQHSA-N 2 2 258.366 -0.574 20 0 CBADLP [NH3+]CC[N@H+](CCO)C1CCN(C(=O)C(F)(F)F)CC1 ZINC001255969455 825996462 /nfs/dbraw/zinc/99/64/62/825996462.db2.gz BEWRDEIFVGNPNL-UHFFFAOYSA-N 2 2 283.294 -0.207 20 0 CBADLP [NH3+]CC[N@@H+](CCO)C1CCN(C(=O)C(F)(F)F)CC1 ZINC001255969455 825996466 /nfs/dbraw/zinc/99/64/66/825996466.db2.gz BEWRDEIFVGNPNL-UHFFFAOYSA-N 2 2 283.294 -0.207 20 0 CBADLP CNC(=O)CN1CCO[C@H]2C[N@@H+](C3CC[NH+](C)CC3)C[C@H]21 ZINC001256205267 826003946 /nfs/dbraw/zinc/00/39/46/826003946.db2.gz SCUMPXABDVFQRO-KGLIPLIRSA-N 2 2 296.415 -0.788 20 0 CBADLP CNC(=O)CN1CCO[C@H]2C[N@H+](C3CC[NH+](C)CC3)C[C@H]21 ZINC001256205267 826003957 /nfs/dbraw/zinc/00/39/57/826003957.db2.gz SCUMPXABDVFQRO-KGLIPLIRSA-N 2 2 296.415 -0.788 20 0 CBADLP C[C@@H](CC(=O)N1CCOCC1)[NH2+]CC1C[NH+](C)C1 ZINC001256326534 826010949 /nfs/dbraw/zinc/01/09/49/826010949.db2.gz PUPGRKRRAZHKJF-NSHDSACASA-N 2 2 255.362 -0.225 20 0 CBADLP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)NCCn2cc[nH+]c2)C1 ZINC001256767879 826032796 /nfs/dbraw/zinc/03/27/96/826032796.db2.gz KWQOCUACWWRULU-GFCCVEGCSA-N 2 2 293.371 -0.591 20 0 CBADLP CC(C)[NH+]1CCC([NH2+][C@@H](C)C(=O)N[C@@H](C)C(N)=O)CC1 ZINC001257213988 826041176 /nfs/dbraw/zinc/04/11/76/826041176.db2.gz VNKBNUFQFFQDSK-QWRGUYRKSA-N 2 2 284.404 -0.173 20 0 CBADLP C[C@@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001261457479 826515715 /nfs/dbraw/zinc/51/57/15/826515715.db2.gz LHYQELOTGIFXAP-MNOVXSKESA-N 3 2 254.378 -0.382 20 0 CBADLP C[C@@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001261457479 826515718 /nfs/dbraw/zinc/51/57/18/826515718.db2.gz LHYQELOTGIFXAP-MNOVXSKESA-N 3 2 254.378 -0.382 20 0 CBADLP C[NH+]1CCN(C(=O)c2cn(CCCC[NH3+])nn2)CC1 ZINC001261459569 826517161 /nfs/dbraw/zinc/51/71/61/826517161.db2.gz TVPXUWZTKAUKOV-UHFFFAOYSA-N 2 2 266.349 -0.595 20 0 CBADLP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC001261839036 826595609 /nfs/dbraw/zinc/59/56/09/826595609.db2.gz UQAWKDMNDHBSMB-GHMZBOCLSA-N 2 2 293.371 -0.458 20 0 CBADLP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC001261839039 826596295 /nfs/dbraw/zinc/59/62/95/826596295.db2.gz UQAWKDMNDHBSMB-WDEREUQCSA-N 2 2 293.371 -0.458 20 0 CBADLP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCCCCn1cc[nH+]c1 ZINC001262060106 826629423 /nfs/dbraw/zinc/62/94/23/826629423.db2.gz QLRPHNUFWWZAJZ-NWDGAFQWSA-N 2 2 293.371 -0.272 20 0 CBADLP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCCCCn1cc[nH+]c1 ZINC001262060105 826629446 /nfs/dbraw/zinc/62/94/46/826629446.db2.gz QLRPHNUFWWZAJZ-NEPJUHHUSA-N 2 2 293.371 -0.272 20 0 CBADLP C[C@H](NC(=O)Cn1cc[nH+]c1)[C@H]1C[N@H+](C)CCN1C ZINC001262155762 826645236 /nfs/dbraw/zinc/64/52/36/826645236.db2.gz UYQMLQDZDTZPJJ-NWDGAFQWSA-N 2 2 265.361 -0.366 20 0 CBADLP C[C@H](NC(=O)Cn1cc[nH+]c1)[C@H]1C[N@@H+](C)CCN1C ZINC001262155762 826645241 /nfs/dbraw/zinc/64/52/41/826645241.db2.gz UYQMLQDZDTZPJJ-NWDGAFQWSA-N 2 2 265.361 -0.366 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCN1C(=O)N[C@H](C[NH+](C)C)C1=O ZINC001262199648 826659566 /nfs/dbraw/zinc/65/95/66/826659566.db2.gz VHJCTCLPJFQAQP-GHMZBOCLSA-N 2 2 284.360 -0.811 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCN1C(=O)N[C@H](C[NH+](C)C)C1=O ZINC001262199648 826659569 /nfs/dbraw/zinc/65/95/69/826659569.db2.gz VHJCTCLPJFQAQP-GHMZBOCLSA-N 2 2 284.360 -0.811 20 0 CBADLP C[C@@H]1CN(CC[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)CCO1 ZINC001262563982 826710445 /nfs/dbraw/zinc/71/04/45/826710445.db2.gz URKBJDYIBKMITA-TZMCWYRMSA-N 2 2 271.405 -0.248 20 0 CBADLP C[C@@H]1CN(CC[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)CCO1 ZINC001262563982 826710450 /nfs/dbraw/zinc/71/04/50/826710450.db2.gz URKBJDYIBKMITA-TZMCWYRMSA-N 2 2 271.405 -0.248 20 0 CBADLP C[C@H]1CN(CC[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)CCO1 ZINC001262563979 826710483 /nfs/dbraw/zinc/71/04/83/826710483.db2.gz URKBJDYIBKMITA-GXTWGEPZSA-N 2 2 271.405 -0.248 20 0 CBADLP C[C@H]1CN(CC[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)CCO1 ZINC001262563979 826710488 /nfs/dbraw/zinc/71/04/88/826710488.db2.gz URKBJDYIBKMITA-GXTWGEPZSA-N 2 2 271.405 -0.248 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)NC/C=C/CO)CC1 ZINC001262592425 826715112 /nfs/dbraw/zinc/71/51/12/826715112.db2.gz QHHZFKDRILCEFY-OWOJBTEDSA-N 2 2 256.350 -0.743 20 0 CBADLP C[C@H]1C[N@H+](CCO)[C@@H](C)CN1c1cc[nH+]c(N)n1 ZINC001262699607 826724037 /nfs/dbraw/zinc/72/40/37/826724037.db2.gz GCCVBMWPBMRDNG-UWVGGRQHSA-N 2 2 251.334 -0.050 20 0 CBADLP [NH3+]C[C@H](O)CC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC001263096109 826737007 /nfs/dbraw/zinc/73/70/07/826737007.db2.gz HRGDKWNENKWVFO-LLVKDONJSA-N 2 2 266.345 -0.412 20 0 CBADLP CCO[C@@H]1CN(C(=O)C[C@@H]([NH3+])C(F)F)C[C@H]1C[NH3+] ZINC001263150206 826744080 /nfs/dbraw/zinc/74/40/80/826744080.db2.gz UDZRKOFTNAKFKS-IWSPIJDZSA-N 2 2 265.304 -0.209 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC001263192133 826752747 /nfs/dbraw/zinc/75/27/47/826752747.db2.gz OIUVJECQJGLZRR-NSHDSACASA-N 3 2 290.358 -0.230 20 0 CBADLP CC(C)C[C@@H]([NH3+])C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001263192027 826753030 /nfs/dbraw/zinc/75/30/30/826753030.db2.gz KZJUHXZOOQVUCI-GFCCVEGCSA-N 3 2 256.394 -0.101 20 0 CBADLP C[C@H](NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)[C@@H]1CN(C)CC[N@@H+]1C ZINC001263305680 826762911 /nfs/dbraw/zinc/76/29/11/826762911.db2.gz DJAFQULWRFMZBP-IEECTRCBSA-N 2 2 266.389 -0.798 20 0 CBADLP C[C@H](NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)[C@@H]1CN(C)CC[N@H+]1C ZINC001263305680 826762916 /nfs/dbraw/zinc/76/29/16/826762916.db2.gz DJAFQULWRFMZBP-IEECTRCBSA-N 2 2 266.389 -0.798 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@H]1C[C@H]([NH2+]CCCO)C1 ZINC001264440734 826810973 /nfs/dbraw/zinc/81/09/73/826810973.db2.gz LRHZOXMINAEUJZ-HAQNSBGRSA-N 2 2 266.345 -0.250 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)CCn2cc[nH+]c2)CC[N@@H+]1CCO ZINC001264714124 826819389 /nfs/dbraw/zinc/81/93/89/826819389.db2.gz PMFUJCTWMQDMLG-NEPJUHHUSA-N 2 2 266.345 -0.156 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)CCn2cc[nH+]c2)CC[N@H+]1CCO ZINC001264714124 826819401 /nfs/dbraw/zinc/81/94/01/826819401.db2.gz PMFUJCTWMQDMLG-NEPJUHHUSA-N 2 2 266.345 -0.156 20 0 CBADLP C[C@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)[NH2+]CCO ZINC001265792187 826920071 /nfs/dbraw/zinc/92/00/71/826920071.db2.gz JEVMIAJIUYJYKA-MNOVXSKESA-N 2 2 266.345 -0.468 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)[NH2+]CCO ZINC001265792186 826920419 /nfs/dbraw/zinc/92/04/19/826920419.db2.gz JEVMIAJIUYJYKA-GHMZBOCLSA-N 2 2 266.345 -0.468 20 0 CBADLP C[N@H+](CCO)CCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001265877304 826933300 /nfs/dbraw/zinc/93/33/00/826933300.db2.gz FGTULBRBXBIICR-GFCCVEGCSA-N 2 2 280.372 -0.124 20 0 CBADLP C[N@@H+](CCO)CCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001265877304 826933309 /nfs/dbraw/zinc/93/33/09/826933309.db2.gz FGTULBRBXBIICR-GFCCVEGCSA-N 2 2 280.372 -0.124 20 0 CBADLP C[C@@H](O)C[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001266018293 826947172 /nfs/dbraw/zinc/94/71/72/826947172.db2.gz NVQKRFCOCZBQBL-MNOVXSKESA-N 2 2 266.345 -0.229 20 0 CBADLP CN(CC[NH2+]CCO)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001266746117 827061472 /nfs/dbraw/zinc/06/14/72/827061472.db2.gz SGMLHOGUSJQRII-NSHDSACASA-N 2 2 266.345 -0.514 20 0 CBADLP CN(CC[NH2+]CCCO)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001266749490 827063459 /nfs/dbraw/zinc/06/34/59/827063459.db2.gz USXJVDBQSCZRBK-GFCCVEGCSA-N 2 2 280.372 -0.124 20 0 CBADLP Cc1noc(C[NH2+][C@H](C)CNC(=O)CC[NH+](C)C)n1 ZINC001266969059 827100635 /nfs/dbraw/zinc/10/06/35/827100635.db2.gz ZEDSZLBSKHOTMD-SECBINFHSA-N 2 2 269.349 -0.076 20 0 CBADLP CN(CC[NH2+]CCn1cncn1)C(=O)Cn1cc[nH+]c1 ZINC001267143872 827118193 /nfs/dbraw/zinc/11/81/93/827118193.db2.gz RMXHYCROMVAVKS-UHFFFAOYSA-N 2 2 277.332 -0.777 20 0 CBADLP CC[N@H+](CCO)CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001267254919 827138412 /nfs/dbraw/zinc/13/84/12/827138412.db2.gz KFICFPHKROWWNX-UHFFFAOYSA-N 2 2 254.334 -0.309 20 0 CBADLP CC[N@@H+](CCO)CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001267254919 827138419 /nfs/dbraw/zinc/13/84/19/827138419.db2.gz KFICFPHKROWWNX-UHFFFAOYSA-N 2 2 254.334 -0.309 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC[C@@H]1CCC[N@@H+]1CCO ZINC001267279931 827141874 /nfs/dbraw/zinc/14/18/74/827141874.db2.gz NULDIQNCEFPUHT-NSHDSACASA-N 2 2 266.345 -0.465 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC[C@@H]1CCC[N@H+]1CCO ZINC001267279931 827141879 /nfs/dbraw/zinc/14/18/79/827141879.db2.gz NULDIQNCEFPUHT-NSHDSACASA-N 2 2 266.345 -0.465 20 0 CBADLP CCCNC(=O)C[NH2+]CCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001267434249 827171121 /nfs/dbraw/zinc/17/11/21/827171121.db2.gz IGMSESZNXALYNY-UHFFFAOYSA-N 2 2 281.360 -0.474 20 0 CBADLP CCNC(=O)C[NH2+]CCN(C)C(=O)CCc1c[nH+]cn1C ZINC001267463401 827175215 /nfs/dbraw/zinc/17/52/15/827175215.db2.gz VEAJKFRPCYKPJA-UHFFFAOYSA-N 2 2 295.387 -0.463 20 0 CBADLP CC[C@@H]([NH2+]CCN(C)C(=O)Cn1cc[nH+]c1)C(N)=O ZINC001267479386 827176360 /nfs/dbraw/zinc/17/63/60/827176360.db2.gz TXSZJVCKCUQZTI-SNVBAGLBSA-N 2 2 267.333 -0.805 20 0 CBADLP CCCNC(=O)C[NH2+]CCN(C)C(=O)Cn1cc[nH+]c1 ZINC001267479430 827176953 /nfs/dbraw/zinc/17/69/53/827176953.db2.gz UTPKARBRJKELEW-UHFFFAOYSA-N 2 2 281.360 -0.543 20 0 CBADLP CC(C)[N@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)CC(N)=O ZINC001267511162 827178279 /nfs/dbraw/zinc/17/82/79/827178279.db2.gz HRQVWYQQFKDWAV-UHFFFAOYSA-N 2 2 281.360 -0.346 20 0 CBADLP CC(C)[N@@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)CC(N)=O ZINC001267511162 827178280 /nfs/dbraw/zinc/17/82/80/827178280.db2.gz HRQVWYQQFKDWAV-UHFFFAOYSA-N 2 2 281.360 -0.346 20 0 CBADLP C[C@@H](C[NH2+]CCO)N(C)C(=O)CCc1[nH+]ccn1C ZINC001268074571 827253468 /nfs/dbraw/zinc/25/34/68/827253468.db2.gz BEUWSSOZQLFTAS-NSHDSACASA-N 2 2 268.361 -0.219 20 0 CBADLP C[C@H](C[NH2+]CCO)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001268088131 827255357 /nfs/dbraw/zinc/25/53/57/827255357.db2.gz TYVZUXXOGAPAQJ-IJLUTSLNSA-N 2 2 280.372 -0.048 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)NC[C@H](O)C[NH2+]CCF ZINC001268304805 827288934 /nfs/dbraw/zinc/28/89/34/827288934.db2.gz AZBFBFLIQGSLGZ-SNVBAGLBSA-N 2 2 258.297 -0.622 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)NC[C@H](O)C[NH2+]CCF ZINC001268304805 827288942 /nfs/dbraw/zinc/28/89/42/827288942.db2.gz AZBFBFLIQGSLGZ-SNVBAGLBSA-N 2 2 258.297 -0.622 20 0 CBADLP O=C(NC[C@@H](O)C[NH2+]CCF)c1cccc2[nH+]ccn21 ZINC001268313554 827294536 /nfs/dbraw/zinc/29/45/36/827294536.db2.gz DZOWYXYFODYNQV-JTQLQIEISA-N 2 2 280.303 -0.016 20 0 CBADLP COCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001268315196 827295041 /nfs/dbraw/zinc/29/50/41/827295041.db2.gz MYZJOBXDWJZAOL-DGCLKSJQSA-N 2 2 296.371 -0.841 20 0 CBADLP CCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001268316467 827295462 /nfs/dbraw/zinc/29/54/62/827295462.db2.gz SSYNRALSJVMIMQ-NWDGAFQWSA-N 2 2 280.372 -0.078 20 0 CBADLP COCC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001268315195 827295614 /nfs/dbraw/zinc/29/56/14/827295614.db2.gz MYZJOBXDWJZAOL-AAEUAGOBSA-N 2 2 296.371 -0.841 20 0 CBADLP C[C@H](CC[NH2+]CC(=O)NC1CC1)NC(=O)Cn1cc[nH+]c1 ZINC001268432421 827327020 /nfs/dbraw/zinc/32/70/20/827327020.db2.gz RXISSVIYFZJBSL-LLVKDONJSA-N 2 2 293.371 -0.354 20 0 CBADLP CCN(CC[NH2+]CC(=O)N1CCC1)C(=O)Cn1cc[nH+]c1 ZINC001268501690 827344511 /nfs/dbraw/zinc/34/45/11/827344511.db2.gz HGESMOVJGFTFDY-UHFFFAOYSA-N 2 2 293.371 -0.447 20 0 CBADLP CC(C)NC(=O)C[NH2+]C/C=C\CNC(=O)Cc1c[nH]c[nH+]1 ZINC001268599172 827374875 /nfs/dbraw/zinc/37/48/75/827374875.db2.gz UMAWTYYOECIDDM-ARJAWSKDSA-N 2 2 293.371 -0.261 20 0 CBADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC/C=C\C[NH2+]CC(N)=O ZINC001268593502 827376180 /nfs/dbraw/zinc/37/61/80/827376180.db2.gz YUOZUGGMLOVYAW-LVUHIJSRSA-N 2 2 291.355 -0.729 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]C/C=C/CNC(=O)Cc1[nH]cc[nH+]1 ZINC001268607384 827379431 /nfs/dbraw/zinc/37/94/31/827379431.db2.gz HXEYJLMWEBZZAJ-FSIBCCDJSA-N 2 2 279.344 -0.651 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC/C=C\C[NH2+]CCO ZINC001268616760 827380951 /nfs/dbraw/zinc/38/09/51/827380951.db2.gz DAPOPKLJBQPTHB-IHWYPQMZSA-N 2 2 252.318 -0.485 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NC/C=C/C[NH2+]Cc1nnnn1C ZINC001268630040 827382530 /nfs/dbraw/zinc/38/25/30/827382530.db2.gz DJXLJHQRIZSTBG-AATRIKPKSA-N 2 2 295.391 -0.688 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NC/C=C/C[NH2+]Cc1nnnn1C ZINC001268630040 827382538 /nfs/dbraw/zinc/38/25/38/827382538.db2.gz DJXLJHQRIZSTBG-AATRIKPKSA-N 2 2 295.391 -0.688 20 0 CBADLP C[C@H](C[NH2+]C[C@H](C)O)NC(=O)Cc1c[nH+]cn1C ZINC001268670064 827398220 /nfs/dbraw/zinc/39/82/20/827398220.db2.gz RSHCUVNVOSNGKF-ZJUUUORDSA-N 2 2 254.334 -0.562 20 0 CBADLP C[C@@H](C[NH2+]CCCO)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001268693428 827404775 /nfs/dbraw/zinc/40/47/75/827404775.db2.gz BMKVBFGKGBXBSU-RYUDHWBXSA-N 2 2 280.372 -0.078 20 0 CBADLP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CCOCCO ZINC001269271771 827485928 /nfs/dbraw/zinc/48/59/28/827485928.db2.gz CXTJCDGKTQCSAU-KBPBESRZSA-N 2 2 299.415 -0.330 20 0 CBADLP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CCOCCO ZINC001269271771 827485934 /nfs/dbraw/zinc/48/59/34/827485934.db2.gz CXTJCDGKTQCSAU-KBPBESRZSA-N 2 2 299.415 -0.330 20 0 CBADLP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCOCCO ZINC001269271771 827485939 /nfs/dbraw/zinc/48/59/39/827485939.db2.gz CXTJCDGKTQCSAU-KBPBESRZSA-N 2 2 299.415 -0.330 20 0 CBADLP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CCOCCO ZINC001269271771 827485944 /nfs/dbraw/zinc/48/59/44/827485944.db2.gz CXTJCDGKTQCSAU-KBPBESRZSA-N 2 2 299.415 -0.330 20 0 CBADLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N2C(=O)Cn1cc[nH+]c1 ZINC001269842571 827534267 /nfs/dbraw/zinc/53/42/67/827534267.db2.gz WJYPDNQPVXOBIF-BETUJISGSA-N 2 2 277.372 -0.270 20 0 CBADLP C[C@@H](O)C[NH2+]C[C@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001270159362 827551110 /nfs/dbraw/zinc/55/11/10/827551110.db2.gz RXIIMURBSFEYRG-GHMZBOCLSA-N 2 2 266.345 -0.086 20 0 CBADLP C[C@H](O)C[NH2+]C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001270315605 827558414 /nfs/dbraw/zinc/55/84/14/827558414.db2.gz DEKPNJKVXPYHOE-NWDGAFQWSA-N 2 2 266.345 -0.156 20 0 CBADLP C[NH+]1CC2(C1)CCCN(C(=O)[C@@H](CO)n1cc[nH+]c1)C2 ZINC001270400201 827562489 /nfs/dbraw/zinc/56/24/89/827562489.db2.gz ZLAKGIRTWGIPDR-GFCCVEGCSA-N 2 2 278.356 -0.029 20 0 CBADLP C[N@@H+]1CCC2(CN(C(=O)[C@@H](CO)n3cc[nH+]c3)C2)C1 ZINC001270399250 827563260 /nfs/dbraw/zinc/56/32/60/827563260.db2.gz NDFIHSIBOCTRCJ-LLVKDONJSA-N 2 2 264.329 -0.419 20 0 CBADLP C[N@H+]1CCC2(CN(C(=O)[C@@H](CO)n3cc[nH+]c3)C2)C1 ZINC001270399250 827563264 /nfs/dbraw/zinc/56/32/64/827563264.db2.gz NDFIHSIBOCTRCJ-LLVKDONJSA-N 2 2 264.329 -0.419 20 0 CBADLP C[C@@H](C(=O)N1CC[C@H]2C[N@H+](CC(=O)N(C)C)C[C@H]21)[NH+](C)C ZINC001271146869 827630338 /nfs/dbraw/zinc/63/03/38/827630338.db2.gz HJRBHVOUBHNNMM-RWMBFGLXSA-N 2 2 296.415 -0.443 20 0 CBADLP C[C@@H](C(=O)N1CC[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]21)[NH+](C)C ZINC001271146869 827630343 /nfs/dbraw/zinc/63/03/43/827630343.db2.gz HJRBHVOUBHNNMM-RWMBFGLXSA-N 2 2 296.415 -0.443 20 0 CBADLP CCC[N@H+](C)CCC(=O)NCC1(O)C[NH+](CC)C1 ZINC001271380046 827698463 /nfs/dbraw/zinc/69/84/63/827698463.db2.gz DWNZLGQXBDWZJF-UHFFFAOYSA-N 2 2 257.378 -0.099 20 0 CBADLP CCC[N@@H+](C)CCC(=O)NCC1(O)C[NH+](CC)C1 ZINC001271380046 827698466 /nfs/dbraw/zinc/69/84/66/827698466.db2.gz DWNZLGQXBDWZJF-UHFFFAOYSA-N 2 2 257.378 -0.099 20 0 CBADLP C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C[NH2+]CCO ZINC001271684605 827718453 /nfs/dbraw/zinc/71/84/53/827718453.db2.gz OEQVXFPOZIALTD-WDEREUQCSA-N 2 2 266.345 -0.371 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CCC[C@H]1C[NH2+]CCO ZINC001272322251 827780214 /nfs/dbraw/zinc/78/02/14/827780214.db2.gz JHLHUWDHZJIBHI-AAEUAGOBSA-N 2 2 280.372 -0.171 20 0 CBADLP CN1CC[N@H+](C)C[C@@H]1C(=O)N1CC2(CC[NH+]2C)C1 ZINC001272554993 827819906 /nfs/dbraw/zinc/81/99/06/827819906.db2.gz JJHALBJCEWXHNP-LLVKDONJSA-N 2 2 252.362 -0.851 20 0 CBADLP CN1CC[N@@H+](C)C[C@@H]1C(=O)N1CC2(CC[NH+]2C)C1 ZINC001272554993 827819910 /nfs/dbraw/zinc/81/99/10/827819910.db2.gz JJHALBJCEWXHNP-LLVKDONJSA-N 2 2 252.362 -0.851 20 0 CBADLP CN1CC[NH+](C)C[C@@H]1C(=O)N1CC2(CC[N@@H+]2C)C1 ZINC001272554993 827819916 /nfs/dbraw/zinc/81/99/16/827819916.db2.gz JJHALBJCEWXHNP-LLVKDONJSA-N 2 2 252.362 -0.851 20 0 CBADLP CN1CC[NH+](C)C[C@@H]1C(=O)N1CC2(CC[N@H+]2C)C1 ZINC001272554993 827819925 /nfs/dbraw/zinc/81/99/25/827819925.db2.gz JJHALBJCEWXHNP-LLVKDONJSA-N 2 2 252.362 -0.851 20 0 CBADLP C[NH+](C)CCN1C(=O)COCC12C[NH+](Cc1cc[nH]c1)C2 ZINC001272647925 827829275 /nfs/dbraw/zinc/82/92/75/827829275.db2.gz DOPYSFOHJIJZKV-UHFFFAOYSA-N 2 2 292.383 -0.011 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CCCC[C@@H]1C[NH2+]CCO ZINC001273010095 827856578 /nfs/dbraw/zinc/85/65/78/827856578.db2.gz AZHRYBOBHFEXGS-GFCCVEGCSA-N 2 2 280.372 -0.074 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CCCC[C@@H]1C[NH2+]CCO ZINC001273025591 827857640 /nfs/dbraw/zinc/85/76/40/827857640.db2.gz YLRZQFXFWNUINQ-GFCCVEGCSA-N 2 2 266.345 -0.154 20 0 CBADLP COCC[NH+]1CC2(C1)COCC(=O)N2CC[NH+](C)C ZINC001273506884 827904958 /nfs/dbraw/zinc/90/49/58/827904958.db2.gz WFNLVFHYXNPMQU-UHFFFAOYSA-N 2 2 271.361 -0.892 20 0 CBADLP C[C@H](O)C[NH2+]C/C=C\CNC(=O)CCc1c[nH]c[nH+]1 ZINC001274082896 827968285 /nfs/dbraw/zinc/96/82/85/827968285.db2.gz VHLVVSHIIQLVJH-QUCGXOGASA-N 2 2 266.345 -0.015 20 0 CBADLP C[C@H](O)C[NH2+]C/C=C\CNC(=O)CCc1c[nH+]c[nH]1 ZINC001274082896 827968286 /nfs/dbraw/zinc/96/82/86/827968286.db2.gz VHLVVSHIIQLVJH-QUCGXOGASA-N 2 2 266.345 -0.015 20 0 CBADLP C[NH+](C)CCN1CC2(C[NH+](CC(C)(C)O)C2)OCC1=O ZINC001274594031 828006149 /nfs/dbraw/zinc/00/61/49/828006149.db2.gz XPBIBLMGLHFWGV-UHFFFAOYSA-N 2 2 285.388 -0.768 20 0 CBADLP CN(C)C(=O)C[NH+]1CC2(C1)CCN(CC[NH+](C)C)C2 ZINC001275199522 828066114 /nfs/dbraw/zinc/06/61/14/828066114.db2.gz MWIVLEKAFIAGGY-UHFFFAOYSA-N 2 2 268.405 -0.356 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC1CC(C[NH2+]CCO)C1 ZINC001275310901 828077998 /nfs/dbraw/zinc/07/79/98/828077998.db2.gz VADSNCGSROWJKD-UHFFFAOYSA-N 2 2 266.345 -0.561 20 0 CBADLP CC[C@@H](C(=O)N[C@@H](C)C[NH2+]CCS(C)(=O)=O)[NH+](C)C ZINC001275410486 828084830 /nfs/dbraw/zinc/08/48/30/828084830.db2.gz HEDYVYYTCMZRJN-QWRGUYRKSA-N 2 2 293.433 -0.535 20 0 CBADLP C[NH+](C)CCN1CCO[C@H]2C[N@H+](Cc3cccnn3)C[C@@H]21 ZINC001275878918 828119831 /nfs/dbraw/zinc/11/98/31/828119831.db2.gz WGSXKOIBLHHHRF-GJZGRUSLSA-N 2 2 291.399 -0.077 20 0 CBADLP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](Cc3cccnn3)C[C@@H]21 ZINC001275878918 828119837 /nfs/dbraw/zinc/11/98/37/828119837.db2.gz WGSXKOIBLHHHRF-GJZGRUSLSA-N 2 2 291.399 -0.077 20 0 CBADLP CC[N@H+](C)CCC(=O)NC1(CCO)C[NH+](CC)C1 ZINC001276094354 828134133 /nfs/dbraw/zinc/13/41/33/828134133.db2.gz FVTKIYHGEPUNEI-UHFFFAOYSA-N 2 2 257.378 -0.099 20 0 CBADLP CC[N@@H+](C)CCC(=O)NC1(CCO)C[NH+](CC)C1 ZINC001276094354 828134139 /nfs/dbraw/zinc/13/41/39/828134139.db2.gz FVTKIYHGEPUNEI-UHFFFAOYSA-N 2 2 257.378 -0.099 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)NC2(C[NH2+]CCO)CCCCC2)C1 ZINC001276188513 828137353 /nfs/dbraw/zinc/13/73/53/828137353.db2.gz NAFKZSOHZKOWJF-CYBMUJFWSA-N 2 2 299.415 -0.282 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)NC2(C[NH2+]CCO)CCCCC2)C1 ZINC001276188513 828137357 /nfs/dbraw/zinc/13/73/57/828137357.db2.gz NAFKZSOHZKOWJF-CYBMUJFWSA-N 2 2 299.415 -0.282 20 0 CBADLP CNC(=O)C[NH2+]CCCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001276296209 828141005 /nfs/dbraw/zinc/14/10/05/828141005.db2.gz ADEJTVBKXRFUAR-UHFFFAOYSA-N 2 2 267.333 -0.864 20 0 CBADLP C[C@@H](O)C[NH+]1CC([C@H](C)NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001276440601 828146272 /nfs/dbraw/zinc/14/62/72/828146272.db2.gz ZYZUXSNGVXZVQR-ZJUUUORDSA-N 2 2 266.345 -0.231 20 0 CBADLP CN(C)C(=O)CN1CCC12C[NH+](Cc1c[nH+]ccc1N)C2 ZINC001276712842 828156876 /nfs/dbraw/zinc/15/68/76/828156876.db2.gz AITKJNUVUUGQGD-UHFFFAOYSA-N 2 2 289.383 -0.158 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC[C@@H]1CC[N@@H+]1CCO ZINC001276954782 828168107 /nfs/dbraw/zinc/16/81/07/828168107.db2.gz CQANRLAXLPMQDZ-JTQLQIEISA-N 2 2 252.318 -0.855 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC[C@@H]1CC[N@H+]1CCO ZINC001276954782 828168111 /nfs/dbraw/zinc/16/81/11/828168111.db2.gz CQANRLAXLPMQDZ-JTQLQIEISA-N 2 2 252.318 -0.855 20 0 CBADLP Cn1cnnc1C[N@@H+]1C[C@@H]2C[C@H]1CN(CC[NH+](C)C)C2 ZINC001277619945 828198956 /nfs/dbraw/zinc/19/89/56/828198956.db2.gz ACNWSYFXXAKMDQ-OLZOCXBDSA-N 2 2 278.404 -0.117 20 0 CBADLP Cn1cnnc1C[N@H+]1C[C@@H]2C[C@H]1CN(CC[NH+](C)C)C2 ZINC001277619945 828198958 /nfs/dbraw/zinc/19/89/58/828198958.db2.gz ACNWSYFXXAKMDQ-OLZOCXBDSA-N 2 2 278.404 -0.117 20 0 CBADLP C[C@H](O)C[N@H+]1C[C@@H]2[C@H](C1)OCCN2CCn1cc[nH+]c1 ZINC001277960446 828223036 /nfs/dbraw/zinc/22/30/36/828223036.db2.gz IYBWMJYLMWQNRR-MJBXVCDLSA-N 2 2 280.372 -0.351 20 0 CBADLP C[C@H](O)C[N@@H+]1C[C@@H]2[C@H](C1)OCCN2CCn1cc[nH+]c1 ZINC001277960446 828223043 /nfs/dbraw/zinc/22/30/43/828223043.db2.gz IYBWMJYLMWQNRR-MJBXVCDLSA-N 2 2 280.372 -0.351 20 0 CBADLP CCNC(=O)C[NH+]1CC2(CN(CC[NH+](C)C)C2)C1 ZINC001278027641 828232133 /nfs/dbraw/zinc/23/21/33/828232133.db2.gz GTEOYZHFTKRQHD-UHFFFAOYSA-N 2 2 254.378 -0.698 20 0 CBADLP CC[C@H](C(N)=O)[NH+]1CC2(CCN2CC[NH+](C)C)C1 ZINC001278032176 828233140 /nfs/dbraw/zinc/23/31/40/828233140.db2.gz IHETZCINSTYRKG-LLVKDONJSA-N 2 2 254.378 -0.428 20 0 CBADLP CCC[NH2+][C@@H](CO)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001278093501 828244685 /nfs/dbraw/zinc/24/46/85/828244685.db2.gz MHRJFUFSEQJRTM-LLVKDONJSA-N 2 2 254.334 -0.181 20 0 CBADLP CCC[NH2+][C@@H](CO)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001278093501 828244695 /nfs/dbraw/zinc/24/46/95/828244695.db2.gz MHRJFUFSEQJRTM-LLVKDONJSA-N 2 2 254.334 -0.181 20 0 CBADLP COCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001278106146 828248920 /nfs/dbraw/zinc/24/89/20/828248920.db2.gz UZWBWORKBWFFNV-VXGBXAGGSA-N 2 2 296.371 -0.841 20 0 CBADLP COCC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001278106143 828249341 /nfs/dbraw/zinc/24/93/41/828249341.db2.gz UZWBWORKBWFFNV-NEPJUHHUSA-N 2 2 296.371 -0.841 20 0 CBADLP CC[NH2+][C@@H](CO)CNC(=O)CCc1c[nH+]cn1C ZINC001278187756 828258551 /nfs/dbraw/zinc/25/85/51/828258551.db2.gz XLWOZMQWDHYGKL-SNVBAGLBSA-N 2 2 254.334 -0.561 20 0 CBADLP C[C@@H](O)C[N@@H+]1CC[C@](C)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001278451303 828270955 /nfs/dbraw/zinc/27/09/55/828270955.db2.gz UYQLCLHLIIDMTH-YPMHNXCESA-N 2 2 266.345 -0.156 20 0 CBADLP C[C@@H](O)C[N@H+]1CC[C@](C)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001278451303 828270960 /nfs/dbraw/zinc/27/09/60/828270960.db2.gz UYQLCLHLIIDMTH-YPMHNXCESA-N 2 2 266.345 -0.156 20 0 CBADLP C[C@H](O)C[N@@H+]1CC[C@](C)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001278451300 828271323 /nfs/dbraw/zinc/27/13/23/828271323.db2.gz UYQLCLHLIIDMTH-AAEUAGOBSA-N 2 2 266.345 -0.156 20 0 CBADLP C[C@H](O)C[N@H+]1CC[C@](C)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001278451300 828271326 /nfs/dbraw/zinc/27/13/26/828271326.db2.gz UYQLCLHLIIDMTH-AAEUAGOBSA-N 2 2 266.345 -0.156 20 0 CBADLP CN(C[C@H](O)C[NH2+]CCF)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001278774602 828286454 /nfs/dbraw/zinc/28/64/54/828286454.db2.gz XRPOGZCIANMOKU-NWDGAFQWSA-N 2 2 298.362 -0.176 20 0 CBADLP [NH3+]CCN1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC001326310300 884981774 /nfs/dbraw/zinc/98/17/74/884981774.db2.gz BLRLJTFGKLSJCV-UHFFFAOYSA-N 2 2 250.350 -0.481 20 0 CBADLP CN(CC(C)(C)[NH3+])C(=O)C(=O)NCCc1cn(C)c[nH+]1 ZINC001327473016 885368350 /nfs/dbraw/zinc/36/83/50/885368350.db2.gz XOFZRFCLNPDDJB-UHFFFAOYSA-N 2 2 281.360 -0.726 20 0 CBADLP O[C@H]1CC[N@@H+](C2CC[NH+](CCn3cnnn3)CC2)C1 ZINC001330683777 886531550 /nfs/dbraw/zinc/53/15/50/886531550.db2.gz MSLREJLEBUDTGJ-LBPRGKRZSA-N 2 2 266.349 -0.796 20 0 CBADLP O[C@H]1CC[N@H+](C2CC[NH+](CCn3cnnn3)CC2)C1 ZINC001330683777 886531561 /nfs/dbraw/zinc/53/15/61/886531561.db2.gz MSLREJLEBUDTGJ-LBPRGKRZSA-N 2 2 266.349 -0.796 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)NC[C@H](CO)[NH2+]CC1CC1 ZINC001331724767 886935152 /nfs/dbraw/zinc/93/51/52/886935152.db2.gz INBZSTKGNLRGTA-GFCCVEGCSA-N 2 2 266.345 -0.181 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)NC[C@H](CO)[NH2+]CC1CC1 ZINC001331724767 886935158 /nfs/dbraw/zinc/93/51/58/886935158.db2.gz INBZSTKGNLRGTA-GFCCVEGCSA-N 2 2 266.345 -0.181 20 0 CBADLP C[C@H](O)C[NH+]1CCN(CCc2c[nH+]cn2C)CC1 ZINC001331768926 886968982 /nfs/dbraw/zinc/96/89/82/886968982.db2.gz BZRMPGYAKJZTSM-LBPRGKRZSA-N 2 2 252.362 -0.039 20 0 CBADLP OC[C@@H]1CC[NH+]1CC1(C[N@H+]2CC[C@H]2CO)COC1 ZINC001335243098 888463949 /nfs/dbraw/zinc/46/39/49/888463949.db2.gz GPWUEPGHSBVODI-RYUDHWBXSA-N 2 2 256.346 -0.864 20 0 CBADLP OC[C@@H]1CC[NH+]1CC1(C[N@@H+]2CC[C@H]2CO)COC1 ZINC001335243098 888463960 /nfs/dbraw/zinc/46/39/60/888463960.db2.gz GPWUEPGHSBVODI-RYUDHWBXSA-N 2 2 256.346 -0.864 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2[NH2+]C[C@@H]3C[C@@H]32)[C@H](C)CO1 ZINC001335850273 888644684 /nfs/dbraw/zinc/64/46/84/888644684.db2.gz GWXQJYFCWVEFHD-NAWOPXAZSA-N 2 2 267.373 -0.180 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2[NH2+]C[C@@H]3C[C@@H]32)[C@H](C)CO1 ZINC001335850273 888644687 /nfs/dbraw/zinc/64/46/87/888644687.db2.gz GWXQJYFCWVEFHD-NAWOPXAZSA-N 2 2 267.373 -0.180 20 0 CBADLP CN(CC[NH3+])C(=O)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC001338330960 889143421 /nfs/dbraw/zinc/14/34/21/889143421.db2.gz YCGOBGVLMXDQAI-UHFFFAOYSA-N 2 2 299.400 -0.762 20 0 CBADLP CCOCC[NH+]1CCN(C(=O)[C@@H]([NH3+])C(C)(C)O)CC1 ZINC001340032720 889370832 /nfs/dbraw/zinc/37/08/32/889370832.db2.gz GCYAUANCBVVVNW-LLVKDONJSA-N 2 2 273.377 -0.735 20 0 CBADLP C[NH2+]C1CC(C(=O)NCC[N@@H+]2CCO[C@H](C)C2)C1 ZINC001341677037 889645143 /nfs/dbraw/zinc/64/51/43/889645143.db2.gz IKWBILDYAOYVTK-VOMCLLRMSA-N 2 2 255.362 -0.179 20 0 CBADLP C[NH2+]C1CC(C(=O)NCC[N@H+]2CCO[C@H](C)C2)C1 ZINC001341677037 889645151 /nfs/dbraw/zinc/64/51/51/889645151.db2.gz IKWBILDYAOYVTK-VOMCLLRMSA-N 2 2 255.362 -0.179 20 0 CBADLP CC[N@@H+]1CC[C@@H]1C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC001443601576 912238047 /nfs/dbraw/zinc/23/80/47/912238047.db2.gz OXSVJIIVPLULAG-QWHCGFSZSA-N 2 2 268.405 -0.167 20 0 CBADLP CC[N@H+]1CC[C@@H]1C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC001443601576 912238066 /nfs/dbraw/zinc/23/80/66/912238066.db2.gz OXSVJIIVPLULAG-QWHCGFSZSA-N 2 2 268.405 -0.167 20 0 CBADLP CCC[N@H+](C)CCC(=O)NCC1C[NH+]([C@H]2CCNC2=O)C1 ZINC001443636520 912248208 /nfs/dbraw/zinc/24/82/08/912248208.db2.gz RZHYCNWOBMLNGM-ZDUSSCGKSA-N 2 2 296.415 -0.345 20 0 CBADLP CCC[N@@H+](C)CCC(=O)NCC1C[NH+]([C@H]2CCNC2=O)C1 ZINC001443636520 912248227 /nfs/dbraw/zinc/24/82/27/912248227.db2.gz RZHYCNWOBMLNGM-ZDUSSCGKSA-N 2 2 296.415 -0.345 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+](C)C ZINC001443690494 912257404 /nfs/dbraw/zinc/25/74/04/912257404.db2.gz TZSROONEMUGUFS-AVGNSLFASA-N 2 2 296.415 -0.123 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+](C)C ZINC001443690494 912257419 /nfs/dbraw/zinc/25/74/19/912257419.db2.gz TZSROONEMUGUFS-AVGNSLFASA-N 2 2 296.415 -0.123 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC001342303799 889751026 /nfs/dbraw/zinc/75/10/26/889751026.db2.gz QKXKMEJNSKQYIS-SRVKXCTJSA-N 2 2 255.362 -0.097 20 0 CBADLP CC[C@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+]CC(=O)NC ZINC001443925394 912304534 /nfs/dbraw/zinc/30/45/34/912304534.db2.gz CSMUPTAJXRZEDZ-SNVBAGLBSA-N 2 2 281.360 -0.427 20 0 CBADLP CC[C@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH2+]CC(=O)NC ZINC001443925394 912304552 /nfs/dbraw/zinc/30/45/52/912304552.db2.gz CSMUPTAJXRZEDZ-SNVBAGLBSA-N 2 2 281.360 -0.427 20 0 CBADLP CC[C@@H](CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[NH2+]CC(N)=O ZINC001444017533 912330503 /nfs/dbraw/zinc/33/05/03/912330503.db2.gz XKXUSGGLYQKZNX-UWVGGRQHSA-N 2 2 281.360 -0.442 20 0 CBADLP CC[C@@H](CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[NH2+]CC(N)=O ZINC001444017533 912330523 /nfs/dbraw/zinc/33/05/23/912330523.db2.gz XKXUSGGLYQKZNX-UWVGGRQHSA-N 2 2 281.360 -0.442 20 0 CBADLP C[N@@H+]1CCN(C(=O)c2coc(C[NH3+])c2)[C@@H](CO)C1 ZINC001343493603 889922898 /nfs/dbraw/zinc/92/28/98/889922898.db2.gz YVGBPIQTQHZNKC-SNVBAGLBSA-N 2 2 253.302 -0.513 20 0 CBADLP C[N@H+]1CCN(C(=O)c2coc(C[NH3+])c2)[C@@H](CO)C1 ZINC001343493603 889922905 /nfs/dbraw/zinc/92/29/05/889922905.db2.gz YVGBPIQTQHZNKC-SNVBAGLBSA-N 2 2 253.302 -0.513 20 0 CBADLP C[C@H](CNC(=O)CCc1c[nH]c[nH+]1)C[NH2+]CC(=O)N(C)C ZINC001444327016 912426486 /nfs/dbraw/zinc/42/64/86/912426486.db2.gz QZRXDNHSBITULU-NSHDSACASA-N 2 2 295.387 -0.228 20 0 CBADLP C[C@H](CNC(=O)CCc1c[nH+]c[nH]1)C[NH2+]CC(=O)N(C)C ZINC001444327016 912426500 /nfs/dbraw/zinc/42/65/00/912426500.db2.gz QZRXDNHSBITULU-NSHDSACASA-N 2 2 295.387 -0.228 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)C[NH2+]CC(N)=O ZINC001444341492 912427859 /nfs/dbraw/zinc/42/78/59/912427859.db2.gz CFTLRFJLZPUKMW-GHMZBOCLSA-N 2 2 293.371 -0.727 20 0 CBADLP C[C@H](CNC(=O)CCc1[nH+]ccn1C)C[NH2+][C@@H](C)C(N)=O ZINC001444343922 912431171 /nfs/dbraw/zinc/43/11/71/912431171.db2.gz CZMVICPASMBNOM-QWRGUYRKSA-N 2 2 295.387 -0.432 20 0 CBADLP CNC(=O)C[NH2+]C[C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001444380392 912438345 /nfs/dbraw/zinc/43/83/45/912438345.db2.gz AMJGZTDXYJQNAS-JTQLQIEISA-N 2 2 281.360 -0.950 20 0 CBADLP COCC[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001444479133 912455726 /nfs/dbraw/zinc/45/57/26/912455726.db2.gz PMPWRFFTCWBEDZ-CYBMUJFWSA-N 2 2 287.404 -0.210 20 0 CBADLP COCC[N@H+]1CCO[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001444479133 912455737 /nfs/dbraw/zinc/45/57/37/912455737.db2.gz PMPWRFFTCWBEDZ-CYBMUJFWSA-N 2 2 287.404 -0.210 20 0 CBADLP COCC[NH+]1CCO[C@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001444479133 912455751 /nfs/dbraw/zinc/45/57/51/912455751.db2.gz PMPWRFFTCWBEDZ-CYBMUJFWSA-N 2 2 287.404 -0.210 20 0 CBADLP COCC[NH+]1CCO[C@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001444479133 912455762 /nfs/dbraw/zinc/45/57/62/912455762.db2.gz PMPWRFFTCWBEDZ-CYBMUJFWSA-N 2 2 287.404 -0.210 20 0 CBADLP C[C@H](C[NH2+][C@H]1CCNC1=O)N(C)C(=O)Cn1cc[nH+]c1 ZINC001444727036 912496142 /nfs/dbraw/zinc/49/61/42/912496142.db2.gz NFHMIEJKYYLRHQ-MNOVXSKESA-N 2 2 279.344 -0.792 20 0 CBADLP C[C@H](C[NH2+]Cc1ncnn1C)N(C)C(=O)Cn1cc[nH+]c1 ZINC001444736438 912497368 /nfs/dbraw/zinc/49/73/68/912497368.db2.gz YNNWPVRJQFKXEX-LLVKDONJSA-N 2 2 291.359 -0.352 20 0 CBADLP C[C@H](C[NH2+][C@@H]1CCCNC1=O)N(C)C(=O)Cn1cc[nH+]c1 ZINC001444727321 912497562 /nfs/dbraw/zinc/49/75/62/912497562.db2.gz NLAWSXVZYIQBQA-VXGBXAGGSA-N 2 2 293.371 -0.402 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001444957549 912527668 /nfs/dbraw/zinc/52/76/68/912527668.db2.gz QMTBVUWQKBHUHJ-ZDUSSCGKSA-N 2 2 298.431 -0.005 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001444957549 912527677 /nfs/dbraw/zinc/52/76/77/912527677.db2.gz QMTBVUWQKBHUHJ-ZDUSSCGKSA-N 2 2 298.431 -0.005 20 0 CBADLP CC(C)NC(=O)C[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001444957549 912527685 /nfs/dbraw/zinc/52/76/85/912527685.db2.gz QMTBVUWQKBHUHJ-ZDUSSCGKSA-N 2 2 298.431 -0.005 20 0 CBADLP CC(C)NC(=O)C[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001444957549 912527694 /nfs/dbraw/zinc/52/76/94/912527694.db2.gz QMTBVUWQKBHUHJ-ZDUSSCGKSA-N 2 2 298.431 -0.005 20 0 CBADLP CNC(=O)C[N@H+](C)CCN(C)C(=O)C[NH+](C)C(C)C ZINC001445081900 912556209 /nfs/dbraw/zinc/55/62/09/912556209.db2.gz CIPPUDLIHSFEHC-UHFFFAOYSA-N 2 2 272.393 -0.537 20 0 CBADLP CNC(=O)C[N@@H+](C)CCN(C)C(=O)C[NH+](C)C(C)C ZINC001445081900 912556221 /nfs/dbraw/zinc/55/62/21/912556221.db2.gz CIPPUDLIHSFEHC-UHFFFAOYSA-N 2 2 272.393 -0.537 20 0 CBADLP CNC(=O)C[NH+](C)CCN(C)C(=O)C[N@H+](C)C(C)C ZINC001445081900 912556229 /nfs/dbraw/zinc/55/62/29/912556229.db2.gz CIPPUDLIHSFEHC-UHFFFAOYSA-N 2 2 272.393 -0.537 20 0 CBADLP CNC(=O)C[NH+](C)CCN(C)C(=O)C[N@@H+](C)C(C)C ZINC001445081900 912556243 /nfs/dbraw/zinc/55/62/43/912556243.db2.gz CIPPUDLIHSFEHC-UHFFFAOYSA-N 2 2 272.393 -0.537 20 0 CBADLP CNC(=O)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001445103193 912556681 /nfs/dbraw/zinc/55/66/81/912556681.db2.gz DBAWIVMKIJXMOU-GHMZBOCLSA-N 2 2 293.371 -0.427 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)CC1CC([NH3+])C1 ZINC001346058074 890206369 /nfs/dbraw/zinc/20/63/69/890206369.db2.gz VKNAMHMUKUBKNZ-ILDUYXDCSA-N 2 2 269.345 -0.523 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001445103208 912558778 /nfs/dbraw/zinc/55/87/78/912558778.db2.gz DBAWIVMKIJXMOU-WDEREUQCSA-N 2 2 293.371 -0.427 20 0 CBADLP C[C@H](NC(=O)[C@H]1C[C@@H]([NH3+])C1)[C@H]1CN(C)CC[N@@H+]1C ZINC001346228791 890244295 /nfs/dbraw/zinc/24/42/95/890244295.db2.gz MEZGFYYOSILBMF-NNYUYHANSA-N 2 2 254.378 -0.526 20 0 CBADLP C[C@H](NC(=O)[C@H]1C[C@@H]([NH3+])C1)[C@H]1CN(C)CC[N@H+]1C ZINC001346228791 890244313 /nfs/dbraw/zinc/24/43/13/890244313.db2.gz MEZGFYYOSILBMF-NNYUYHANSA-N 2 2 254.378 -0.526 20 0 CBADLP CC[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ncc(C)o1)[NH+](C)C ZINC001445220740 912603631 /nfs/dbraw/zinc/60/36/31/912603631.db2.gz ZXGHTWQNJONMHT-NWDGAFQWSA-N 2 2 298.387 -0.110 20 0 CBADLP O=C(C[NH+]1CCCC1)NC[C@@H](O)C[NH2+]Cc1cnsn1 ZINC001445267008 912615391 /nfs/dbraw/zinc/61/53/91/912615391.db2.gz IGLXSRBCUFZDKU-NSHDSACASA-N 2 2 299.400 -0.799 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@H](O)C[NH2+]Cc1cncs1 ZINC001445279269 912624784 /nfs/dbraw/zinc/62/47/84/912624784.db2.gz NRZKNPNIGPHQRQ-SNVBAGLBSA-N 2 2 295.368 -0.394 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001445397369 912656988 /nfs/dbraw/zinc/65/69/88/912656988.db2.gz LJPHEYCLYLBFPU-MNOVXSKESA-N 2 2 293.371 -0.714 20 0 CBADLP C[C@H](C[NH2+]CC(N)=O)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001445397155 912657441 /nfs/dbraw/zinc/65/74/41/912657441.db2.gz IIAWQIFATPLHMS-ZJUUUORDSA-N 2 2 279.344 -0.975 20 0 CBADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)C[C@H]1CC[NH2+]C1 ZINC001347147694 890415884 /nfs/dbraw/zinc/41/58/84/890415884.db2.gz HZSDHLHTTPDXTD-GHMZBOCLSA-N 2 2 269.345 -0.651 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@H](C)C[NH2+]Cc1ncnn1C ZINC001445501593 912680111 /nfs/dbraw/zinc/68/01/11/912680111.db2.gz JNZHNURNKBOGLT-SNVBAGLBSA-N 2 2 291.359 -0.385 20 0 CBADLP C[C@@H](C[NH2+]CC(=O)NCC1CC1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001445624812 912714749 /nfs/dbraw/zinc/71/47/49/912714749.db2.gz OQIRIZGJESERLW-JTQLQIEISA-N 2 2 293.371 -0.427 20 0 CBADLP CC[C@H](C(N)=O)[N@H+](C)C[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001445851710 912769565 /nfs/dbraw/zinc/76/95/65/912769565.db2.gz HUPNSGYOVBOXCM-JOYOIKCWSA-N 2 2 295.387 -0.039 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+](C)C[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001445851710 912769578 /nfs/dbraw/zinc/76/95/78/912769578.db2.gz HUPNSGYOVBOXCM-JOYOIKCWSA-N 2 2 295.387 -0.039 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+](C)C[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001445851692 912769613 /nfs/dbraw/zinc/76/96/13/912769613.db2.gz HUPNSGYOVBOXCM-CABZTGNLSA-N 2 2 295.387 -0.039 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+](C)C[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001445851692 912769622 /nfs/dbraw/zinc/76/96/22/912769622.db2.gz HUPNSGYOVBOXCM-CABZTGNLSA-N 2 2 295.387 -0.039 20 0 CBADLP C[C@@H](C[N@H+](C)Cc1cnnn1C)NC(=O)C[NH+]1CCCC1 ZINC001445866642 912774867 /nfs/dbraw/zinc/77/48/67/912774867.db2.gz HNKWHSMJAOVXFE-LBPRGKRZSA-N 2 2 294.403 -0.153 20 0 CBADLP C[C@@H](C[N@@H+](C)Cc1cnnn1C)NC(=O)C[NH+]1CCCC1 ZINC001445866642 912774870 /nfs/dbraw/zinc/77/48/70/912774870.db2.gz HNKWHSMJAOVXFE-LBPRGKRZSA-N 2 2 294.403 -0.153 20 0 CBADLP CC[C@H]([NH2+]C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)C1CC1)C(N)=O ZINC001445977553 912792063 /nfs/dbraw/zinc/79/20/63/912792063.db2.gz IBAHCSQIYMINKB-NWDGAFQWSA-N 2 2 293.371 -0.300 20 0 CBADLP CC[N@H+](C)CCC(=O)NC[C@@H]1CC[NH+]1[C@H](C)C(=O)NC ZINC001446131776 912818808 /nfs/dbraw/zinc/81/88/08/912818808.db2.gz SCANIOIVVHHGAQ-NEPJUHHUSA-N 2 2 284.404 -0.347 20 0 CBADLP CC[N@@H+](C)CCC(=O)NC[C@@H]1CC[NH+]1[C@H](C)C(=O)NC ZINC001446131776 912818825 /nfs/dbraw/zinc/81/88/25/912818825.db2.gz SCANIOIVVHHGAQ-NEPJUHHUSA-N 2 2 284.404 -0.347 20 0 CBADLP CC[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+]1[C@H](C)C(=O)NC ZINC001446131776 912818845 /nfs/dbraw/zinc/81/88/45/912818845.db2.gz SCANIOIVVHHGAQ-NEPJUHHUSA-N 2 2 284.404 -0.347 20 0 CBADLP CC[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+]1[C@H](C)C(=O)NC ZINC001446131776 912818857 /nfs/dbraw/zinc/81/88/57/912818857.db2.gz SCANIOIVVHHGAQ-NEPJUHHUSA-N 2 2 284.404 -0.347 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001446130377 912819108 /nfs/dbraw/zinc/81/91/08/912819108.db2.gz OKMSEXANJAPJCA-NWDGAFQWSA-N 2 2 293.371 -0.354 20 0 CBADLP CC[C@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001446130377 912819125 /nfs/dbraw/zinc/81/91/25/912819125.db2.gz OKMSEXANJAPJCA-NWDGAFQWSA-N 2 2 293.371 -0.354 20 0 CBADLP CC[N@H+](C)CCC(=O)NC[C@@H]1CC[NH+]1[C@@H]1CCCNC1=O ZINC001446124669 912820313 /nfs/dbraw/zinc/82/03/13/912820313.db2.gz HUFORNYDPPIMAB-QWHCGFSZSA-N 2 2 296.415 -0.203 20 0 CBADLP CC[N@@H+](C)CCC(=O)NC[C@@H]1CC[NH+]1[C@@H]1CCCNC1=O ZINC001446124669 912820326 /nfs/dbraw/zinc/82/03/26/912820326.db2.gz HUFORNYDPPIMAB-QWHCGFSZSA-N 2 2 296.415 -0.203 20 0 CBADLP CC[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+]1[C@@H]1CCCNC1=O ZINC001446124669 912820344 /nfs/dbraw/zinc/82/03/44/912820344.db2.gz HUFORNYDPPIMAB-QWHCGFSZSA-N 2 2 296.415 -0.203 20 0 CBADLP CC[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+]1[C@@H]1CCCNC1=O ZINC001446124669 912820362 /nfs/dbraw/zinc/82/03/62/912820362.db2.gz HUFORNYDPPIMAB-QWHCGFSZSA-N 2 2 296.415 -0.203 20 0 CBADLP O=C(C[NH+]1CCCC1)NC[C@H]1CC[N@@H+]1CCn1cncn1 ZINC001446133180 912826279 /nfs/dbraw/zinc/82/62/79/912826279.db2.gz ZOBJKAKYTIIRRO-CYBMUJFWSA-N 2 2 292.387 -0.436 20 0 CBADLP O=C(C[NH+]1CCCC1)NC[C@H]1CC[N@H+]1CCn1cncn1 ZINC001446133180 912826303 /nfs/dbraw/zinc/82/63/03/912826303.db2.gz ZOBJKAKYTIIRRO-CYBMUJFWSA-N 2 2 292.387 -0.436 20 0 CBADLP CC[N@H+](C)C(C)(C)C(=O)N1CC[NH+](CCO)CC1 ZINC000131016582 884559982 /nfs/dbraw/zinc/55/99/82/884559982.db2.gz VODGDJBVMLUNLL-UHFFFAOYSA-N 2 2 257.378 -0.147 20 0 CBADLP CC[N@@H+](C)C(C)(C)C(=O)N1CC[NH+](CCO)CC1 ZINC000131016582 884559995 /nfs/dbraw/zinc/55/99/95/884559995.db2.gz VODGDJBVMLUNLL-UHFFFAOYSA-N 2 2 257.378 -0.147 20 0 CBADLP O=C(NC[C@H]1CC[N@@H+](CCO)C1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001028641635 884614853 /nfs/dbraw/zinc/61/48/53/884614853.db2.gz HWAQJGOFNVPUHG-CHWSQXEVSA-N 2 2 292.383 -0.124 20 0 CBADLP O=C(NC[C@H]1CC[N@H+](CCO)C1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001028641635 884614867 /nfs/dbraw/zinc/61/48/67/884614867.db2.gz HWAQJGOFNVPUHG-CHWSQXEVSA-N 2 2 292.383 -0.124 20 0 CBADLP O=C(NC[C@@H]1CC[N@@H+](CCO)C1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001028641637 884615121 /nfs/dbraw/zinc/61/51/21/884615121.db2.gz HWAQJGOFNVPUHG-QWHCGFSZSA-N 2 2 292.383 -0.124 20 0 CBADLP O=C(NC[C@@H]1CC[N@H+](CCO)C1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001028641637 884615130 /nfs/dbraw/zinc/61/51/30/884615130.db2.gz HWAQJGOFNVPUHG-QWHCGFSZSA-N 2 2 292.383 -0.124 20 0 CBADLP O=C(NC[C@H]1CC[N@@H+](CCO)C1)[C@H]1CCc2c[nH+]cn2C1 ZINC001028643802 884615776 /nfs/dbraw/zinc/61/57/76/884615776.db2.gz SEFIEGDZRWYCGO-OLZOCXBDSA-N 2 2 292.383 -0.124 20 0 CBADLP O=C(NC[C@H]1CC[N@H+](CCO)C1)[C@H]1CCc2c[nH+]cn2C1 ZINC001028643802 884615783 /nfs/dbraw/zinc/61/57/83/884615783.db2.gz SEFIEGDZRWYCGO-OLZOCXBDSA-N 2 2 292.383 -0.124 20 0 CBADLP COCC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001090599367 884644704 /nfs/dbraw/zinc/64/47/04/884644704.db2.gz DPBWYXHIHDEZMY-RYUDHWBXSA-N 2 2 282.344 -0.850 20 0 CBADLP COCC[N@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001090599367 884644709 /nfs/dbraw/zinc/64/47/09/884644709.db2.gz DPBWYXHIHDEZMY-RYUDHWBXSA-N 2 2 282.344 -0.850 20 0 CBADLP CCNC(=O)C[NH2+]C1(CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001446256253 912850656 /nfs/dbraw/zinc/85/06/56/912850656.db2.gz CZFSWSOHRVTNJK-UHFFFAOYSA-N 2 2 279.344 -0.673 20 0 CBADLP CNC(=O)C[NH2+][C@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001210847273 884765424 /nfs/dbraw/zinc/76/54/24/884765424.db2.gz NGKZLHSJWKBLFN-NSHDSACASA-N 2 2 293.371 -0.413 20 0 CBADLP Nc1ccc(-c2nc(=O)on2C(=O)[C@@H]([NH3+])CC[NH3+])cc1 ZINC001219386004 884790844 /nfs/dbraw/zinc/79/08/44/884790844.db2.gz BBBGFVMCINDJPC-VIFPVBQESA-N 2 2 277.284 -0.598 20 0 CBADLP CN(C)C(=O)C[NH+]1CC2(CN(c3c[nH+]cn3C)C2)C1 ZINC001277765234 884815613 /nfs/dbraw/zinc/81/56/13/884815613.db2.gz CVISSIILTJUJOY-UHFFFAOYSA-N 2 2 263.345 -0.370 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)C[C@@H](O)C[NH2+]CCF ZINC001278817063 884821251 /nfs/dbraw/zinc/82/12/51/884821251.db2.gz MHAPOGUCASWEIS-PWSUYJOCSA-N 2 2 286.351 -0.033 20 0 CBADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)C[C@@H](O)C[NH2+]CCF ZINC001278817063 884821266 /nfs/dbraw/zinc/82/12/66/884821266.db2.gz MHAPOGUCASWEIS-PWSUYJOCSA-N 2 2 286.351 -0.033 20 0 CBADLP C[C@H](C[NH2+]CCNC(=O)C1CC1)NC(=O)Cn1cc[nH+]c1 ZINC001321760583 884832528 /nfs/dbraw/zinc/83/25/28/884832528.db2.gz SUXUVADKIIXARU-LLVKDONJSA-N 2 2 293.371 -0.496 20 0 CBADLP COC[C@H](O)C[NH+]1CC(N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001446380321 912873812 /nfs/dbraw/zinc/87/38/12/912873812.db2.gz DJYZBUGOTSHMKR-GXTWGEPZSA-N 2 2 299.415 -0.522 20 0 CBADLP COC[C@H](O)C[NH+]1CC(N(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001446380321 912873835 /nfs/dbraw/zinc/87/38/35/912873835.db2.gz DJYZBUGOTSHMKR-GXTWGEPZSA-N 2 2 299.415 -0.522 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@H](C)[C@@H](C)[NH3+] ZINC001326244884 884955660 /nfs/dbraw/zinc/95/56/60/884955660.db2.gz KJWQIAJVYZHBFM-BBBLOLIVSA-N 2 2 257.334 -0.667 20 0 CBADLP [NH3+]CCCn1cc(C(=O)NCCc2[nH]cc[nH+]2)nn1 ZINC001326354463 885001068 /nfs/dbraw/zinc/00/10/68/885001068.db2.gz WDFFZIZYXLOQLQ-UHFFFAOYSA-N 2 2 263.305 -0.678 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC1(C)CC[NH+](CCO)CC1 ZINC001446483861 912892816 /nfs/dbraw/zinc/89/28/16/912892816.db2.gz UVQDQWUESGYVFU-UHFFFAOYSA-N 2 2 280.372 -0.074 20 0 CBADLP C[NH+]1CCN(CCNC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001326785849 885143551 /nfs/dbraw/zinc/14/35/51/885143551.db2.gz ABJSHQWCLVKTNW-UHFFFAOYSA-N 2 2 265.361 -0.294 20 0 CBADLP C[C@@H]([NH2+]C[C@]1(C)CCN(C(=O)Cn2cc[nH+]c2)C1)C(N)=O ZINC001446609479 912915003 /nfs/dbraw/zinc/91/50/03/912915003.db2.gz HAQUKPNHGVOIHE-RISCZKNCSA-N 2 2 293.371 -0.415 20 0 CBADLP C[C@]1(C2CC[NH+](C[C@H]3C[NH2+]CCO3)CC2)NC(=O)NC1=O ZINC001327597358 885423971 /nfs/dbraw/zinc/42/39/71/885423971.db2.gz RDGYQGHETSQCQN-BXUZGUMPSA-N 2 2 296.371 -0.715 20 0 CBADLP O=C1NCC[C@H]1[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC001327628813 885435262 /nfs/dbraw/zinc/43/52/62/885435262.db2.gz HOIPAQLIAUBNJQ-NWDGAFQWSA-N 2 2 253.346 -0.282 20 0 CBADLP CC[N@@H+]1CC[C@](O)(CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001446756315 912939236 /nfs/dbraw/zinc/93/92/36/912939236.db2.gz MFUJHVAGTAYPGQ-AWEZNQCLSA-N 2 2 280.372 -0.074 20 0 CBADLP CC[N@H+]1CC[C@](O)(CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001446756315 912939242 /nfs/dbraw/zinc/93/92/42/912939242.db2.gz MFUJHVAGTAYPGQ-AWEZNQCLSA-N 2 2 280.372 -0.074 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@]1(O)CC[N@@H+](C[C@H](C)O)C1 ZINC001446800043 912955053 /nfs/dbraw/zinc/95/50/53/912955053.db2.gz QGXYIFWARHRMMB-HZMBPMFUSA-N 2 2 296.371 -0.806 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@]1(O)CC[N@H+](C[C@H](C)O)C1 ZINC001446800043 912955067 /nfs/dbraw/zinc/95/50/67/912955067.db2.gz QGXYIFWARHRMMB-HZMBPMFUSA-N 2 2 296.371 -0.806 20 0 CBADLP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC001328451098 885690153 /nfs/dbraw/zinc/69/01/53/885690153.db2.gz ORDZKDUCRSQPGX-GARJFASQSA-N 2 2 293.371 -0.444 20 0 CBADLP C[NH+]1CCC(O)(CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001328455358 885693736 /nfs/dbraw/zinc/69/37/36/885693736.db2.gz GHNPXIJWUJURQR-UHFFFAOYSA-N 2 2 252.318 -0.475 20 0 CBADLP C[NH2+][C@H](C(=O)NCCn1cc[nH+]c1)c1cnn(C)c1 ZINC001328581091 885733183 /nfs/dbraw/zinc/73/31/83/885733183.db2.gz GZMYEQZJPLVLNH-NSHDSACASA-N 2 2 262.317 -0.307 20 0 CBADLP CC1(C)C[NH2+][C@@H]1C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001328593491 885739899 /nfs/dbraw/zinc/73/98/99/885739899.db2.gz JOUODTKDNSJPFD-MWLCHTKSSA-N 2 2 268.361 -0.950 20 0 CBADLP CC1(C)C[NH2+][C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001328593491 885739903 /nfs/dbraw/zinc/73/99/03/885739903.db2.gz JOUODTKDNSJPFD-MWLCHTKSSA-N 2 2 268.361 -0.950 20 0 CBADLP O=C(CCc1[nH]cc[nH+]1)NCC[NH+]1CCC(O)CC1 ZINC001328675198 885771391 /nfs/dbraw/zinc/77/13/91/885771391.db2.gz OMYNRWNJYFTKQI-UHFFFAOYSA-N 2 2 266.345 -0.085 20 0 CBADLP C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C[NH2+]CC(N)=O ZINC001446968877 912991370 /nfs/dbraw/zinc/99/13/70/912991370.db2.gz SXCCAQANVOWUTB-WDEREUQCSA-N 2 2 293.371 -0.488 20 0 CBADLP C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C[NH2+]CC(N)=O ZINC001446968877 912991372 /nfs/dbraw/zinc/99/13/72/912991372.db2.gz SXCCAQANVOWUTB-WDEREUQCSA-N 2 2 293.371 -0.488 20 0 CBADLP Nc1ccc2c(c1)OCC[N@@H+](CC(=O)N1CC[NH2+]CC1)C2 ZINC001329376374 886037052 /nfs/dbraw/zinc/03/70/52/886037052.db2.gz SIPDWWDBVCGLFA-UHFFFAOYSA-N 2 2 290.367 -0.105 20 0 CBADLP Nc1ccc2c(c1)OCC[N@H+](CC(=O)N1CC[NH2+]CC1)C2 ZINC001329376374 886037062 /nfs/dbraw/zinc/03/70/62/886037062.db2.gz SIPDWWDBVCGLFA-UHFFFAOYSA-N 2 2 290.367 -0.105 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)C[C@@H]1CCC[NH2+]1 ZINC001329465276 886080360 /nfs/dbraw/zinc/08/03/60/886080360.db2.gz JFCUWAMZCIILAF-QWRGUYRKSA-N 2 2 269.345 -0.508 20 0 CBADLP C[C@H]1C[N@H+](CCN2CCN([C@@H]3CC[NH2+]C3)CC2)CCO1 ZINC001329500229 886097185 /nfs/dbraw/zinc/09/71/85/886097185.db2.gz ZWOLLBXXGHGYBJ-LSDHHAIUSA-N 2 2 282.432 -0.313 20 0 CBADLP C[C@H]1C[N@@H+](CCN2CCN([C@@H]3CC[NH2+]C3)CC2)CCO1 ZINC001329500229 886097200 /nfs/dbraw/zinc/09/72/00/886097200.db2.gz ZWOLLBXXGHGYBJ-LSDHHAIUSA-N 2 2 282.432 -0.313 20 0 CBADLP C[C@@H](c1nc([C@H]2CCC[NH2+]2)no1)N1CC[NH2+]CC1=O ZINC001329632756 886151936 /nfs/dbraw/zinc/15/19/36/886151936.db2.gz OHBXEWQUSRFEAB-DTWKUNHWSA-N 2 2 265.317 -0.013 20 0 CBADLP C[C@@H](C[NH3+])C(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC001329651273 886161299 /nfs/dbraw/zinc/16/12/99/886161299.db2.gz IEZNFAYLSPDJAF-LBPRGKRZSA-N 2 2 268.405 -0.180 20 0 CBADLP O=C1CC[C@@H](C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)N1 ZINC001330581360 886486114 /nfs/dbraw/zinc/48/61/14/886486114.db2.gz JQUZFSYRUAEHLB-WCQYABFASA-N 2 2 267.373 -0.204 20 0 CBADLP O=C1CC[C@@H](C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)N1 ZINC001330581360 886486124 /nfs/dbraw/zinc/48/61/24/886486124.db2.gz JQUZFSYRUAEHLB-WCQYABFASA-N 2 2 267.373 -0.204 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC2(CCNC2=O)CC1 ZINC001330733162 886548030 /nfs/dbraw/zinc/54/80/30/886548030.db2.gz OGWUGTYHAUGWSM-LBPRGKRZSA-N 2 2 269.389 -0.099 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC2(CCNC2=O)CC1 ZINC001330733162 886548047 /nfs/dbraw/zinc/54/80/47/886548047.db2.gz OGWUGTYHAUGWSM-LBPRGKRZSA-N 2 2 269.389 -0.099 20 0 CBADLP COCC[C@H]([NH3+])Cc1cn(Cc2c[nH+]cn2C)nn1 ZINC001330773401 886559620 /nfs/dbraw/zinc/55/96/20/886559620.db2.gz APIMLRGHOOIUGQ-JTQLQIEISA-N 2 2 264.333 -0.034 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]CCC[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001330946704 886633534 /nfs/dbraw/zinc/63/35/34/886633534.db2.gz MJLBMULHKMBZCQ-WDEREUQCSA-N 2 2 295.387 -0.039 20 0 CBADLP [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)NCCn1cc[nH+]c1 ZINC001331135066 886689114 /nfs/dbraw/zinc/68/91/14/886689114.db2.gz OIMQMBCMXPPXQL-NSHDSACASA-N 2 2 279.344 -0.661 20 0 CBADLP Cn1c[nH+]c(CCNC(=O)NC[C@H]2C[C@@H]([NH3+])C2)c1 ZINC001331393552 886790193 /nfs/dbraw/zinc/79/01/93/886790193.db2.gz QBQKKEJTSVLQIF-AOOOYVTPSA-N 2 2 251.334 -0.001 20 0 CBADLP O=C(NCCn1cc[nH+]c1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC001331566365 886846181 /nfs/dbraw/zinc/84/61/81/886846181.db2.gz UKPRNKZBFCIURH-GFCCVEGCSA-N 2 2 264.329 -0.280 20 0 CBADLP C[NH2+][C@@H](C)CCNC(=O)/C=C/C[NH+]1CCOCC1 ZINC001331673512 886899500 /nfs/dbraw/zinc/89/95/00/886899500.db2.gz FCHXSYIYWXXONS-PCAWENJQSA-N 2 2 255.362 -0.011 20 0 CBADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@@H](C)[NH+](C)C ZINC001331689131 886912118 /nfs/dbraw/zinc/91/21/18/886912118.db2.gz IZJDZKURYXRIJM-NXEZZACHSA-N 2 2 257.334 -0.700 20 0 CBADLP CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001331726180 886940315 /nfs/dbraw/zinc/94/03/15/886940315.db2.gz RZVCMSVVGIEFQL-OPRDCNLKSA-N 2 2 252.318 -0.400 20 0 CBADLP CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001331726180 886940321 /nfs/dbraw/zinc/94/03/21/886940321.db2.gz RZVCMSVVGIEFQL-OPRDCNLKSA-N 2 2 252.318 -0.400 20 0 CBADLP COCC[NH2+]C1CC[NH+](CCn2cncn2)CC1 ZINC001331828340 887001022 /nfs/dbraw/zinc/00/10/22/887001022.db2.gz WSTHIAMJECVUDN-UHFFFAOYSA-N 2 2 253.350 -0.022 20 0 CBADLP CON1CC[C@H]([NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)C1=O ZINC001331965653 887068391 /nfs/dbraw/zinc/06/83/91/887068391.db2.gz KCFJLXQUEYVJKJ-NEPJUHHUSA-N 2 2 268.361 -0.872 20 0 CBADLP [NH3+]C[C@H]1CC[N@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC001331980653 887075008 /nfs/dbraw/zinc/07/50/08/887075008.db2.gz JJROUUSZUSRVHW-NEPJUHHUSA-N 3 2 264.377 -0.017 20 0 CBADLP [NH3+]C[C@H]1CC[N@@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC001331980653 887075020 /nfs/dbraw/zinc/07/50/20/887075020.db2.gz JJROUUSZUSRVHW-NEPJUHHUSA-N 3 2 264.377 -0.017 20 0 CBADLP [NH3+]CC(=O)NCC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC001332117789 887115936 /nfs/dbraw/zinc/11/59/36/887115936.db2.gz DHKVNNMTTQUVJV-UHFFFAOYSA-N 2 2 265.317 -0.809 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@@H]2[NH2+]C[C@@H]3C[C@@H]32)CC1 ZINC001332291799 887185920 /nfs/dbraw/zinc/18/59/20/887185920.db2.gz JLCJLBOSEIXFRZ-SDDRHHMPSA-N 2 2 253.346 -0.615 20 0 CBADLP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCCc1cn(C)c[nH+]1 ZINC001332390050 887247987 /nfs/dbraw/zinc/24/79/87/887247987.db2.gz DDFFFWPEWZWCOT-UWVGGRQHSA-N 2 2 281.360 -0.679 20 0 CBADLP C[NH2+]CCC[N@@H+]1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001332425163 887273486 /nfs/dbraw/zinc/27/34/86/887273486.db2.gz WHAXXXWBTWAVAV-ZIAGYGMSSA-N 3 2 295.431 -0.184 20 0 CBADLP C[NH2+]CCC[N@H+]1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001332425163 887273500 /nfs/dbraw/zinc/27/35/00/887273500.db2.gz WHAXXXWBTWAVAV-ZIAGYGMSSA-N 3 2 295.431 -0.184 20 0 CBADLP C[C@H]([NH3+])[C@@H]1CN(C(=O)NCc2c[nH+]cn2C)CCO1 ZINC001332558255 887354361 /nfs/dbraw/zinc/35/43/61/887354361.db2.gz USHNOWKDMRECDQ-ONGXEEELSA-N 2 2 267.333 -0.322 20 0 CBADLP C[C@@H]([NH3+])[C@H]1CN(C(=O)NCc2c[nH+]cn2C)CCO1 ZINC001332558254 887356429 /nfs/dbraw/zinc/35/64/29/887356429.db2.gz USHNOWKDMRECDQ-MWLCHTKSSA-N 2 2 267.333 -0.322 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@H](N3C(=O)N[C@@H](CO)C3=O)C2)CC1 ZINC001332846899 887449478 /nfs/dbraw/zinc/44/94/78/887449478.db2.gz APMNUKHBMNLEJQ-RYUDHWBXSA-N 2 2 296.371 -0.932 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@H](N3C(=O)N[C@@H](CO)C3=O)C2)CC1 ZINC001332846899 887449488 /nfs/dbraw/zinc/44/94/88/887449488.db2.gz APMNUKHBMNLEJQ-RYUDHWBXSA-N 2 2 296.371 -0.932 20 0 CBADLP OC[C@H]1C=CC[NH+]1CC1(C[N@H+]2CC=C[C@@H]2CO)COC1 ZINC001333084304 887520455 /nfs/dbraw/zinc/52/04/55/887520455.db2.gz KDUWDDHQCVCNFF-ZIAGYGMSSA-N 2 2 280.368 -0.532 20 0 CBADLP OC[C@H]1C=CC[NH+]1CC1(C[N@@H+]2CC=C[C@@H]2CO)COC1 ZINC001333084304 887520463 /nfs/dbraw/zinc/52/04/63/887520463.db2.gz KDUWDDHQCVCNFF-ZIAGYGMSSA-N 2 2 280.368 -0.532 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(O)(COCCO)CC1 ZINC001333473776 887654651 /nfs/dbraw/zinc/65/46/51/887654651.db2.gz BDSKBUCAMSWWDE-CYBMUJFWSA-N 2 2 290.404 -0.865 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(O)(COCCO)CC1 ZINC001333473776 887654660 /nfs/dbraw/zinc/65/46/60/887654660.db2.gz BDSKBUCAMSWWDE-CYBMUJFWSA-N 2 2 290.404 -0.865 20 0 CBADLP CCNC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001447929307 913167941 /nfs/dbraw/zinc/16/79/41/913167941.db2.gz LUMFGLBDHCLECH-WDEREUQCSA-N 2 2 295.387 -0.419 20 0 CBADLP C[NH+](C)CC(=O)NC1CC[NH+]([C@H]2CCOC2=O)CC1 ZINC001466302622 915108849 /nfs/dbraw/zinc/10/88/49/915108849.db2.gz FURAKRBWXYDOHN-NSHDSACASA-N 2 2 269.345 -0.556 20 0 CBADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC001333548507 887686583 /nfs/dbraw/zinc/68/65/83/887686583.db2.gz OQDKXRFAWYDXNX-MNOVXSKESA-N 2 2 291.355 -0.786 20 0 CBADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC001333548509 887687675 /nfs/dbraw/zinc/68/76/75/887687675.db2.gz OQDKXRFAWYDXNX-QWRGUYRKSA-N 2 2 291.355 -0.786 20 0 CBADLP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCCc1cn(C)c[nH+]1 ZINC001333914923 887806161 /nfs/dbraw/zinc/80/61/61/887806161.db2.gz VQPLCTAALJAHJZ-UWVGGRQHSA-N 2 2 279.344 -0.973 20 0 CBADLP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1C[C@@H](O)COC1CCOCC1 ZINC001334339649 887928631 /nfs/dbraw/zinc/92/86/31/887928631.db2.gz XOZFSGJCQBCQJU-IJLUTSLNSA-N 2 2 258.362 -0.036 20 0 CBADLP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1C[C@@H](O)COC1CCOCC1 ZINC001334339649 887928634 /nfs/dbraw/zinc/92/86/34/887928634.db2.gz XOZFSGJCQBCQJU-IJLUTSLNSA-N 2 2 258.362 -0.036 20 0 CBADLP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH+](C)Cc1cnnn1C ZINC001448071431 913210315 /nfs/dbraw/zinc/21/03/15/913210315.db2.gz XFCCQEDVWSCLON-DGCLKSJQSA-N 2 2 294.403 -0.154 20 0 CBADLP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH+](C)Cc1cnnn1C ZINC001448071431 913210333 /nfs/dbraw/zinc/21/03/33/913210333.db2.gz XFCCQEDVWSCLON-DGCLKSJQSA-N 2 2 294.403 -0.154 20 0 CBADLP C[C@H](CNC(=O)[C@H]1CCC[NH+]1C)[N@H+](C)Cc1cnnn1C ZINC001448071431 913210350 /nfs/dbraw/zinc/21/03/50/913210350.db2.gz XFCCQEDVWSCLON-DGCLKSJQSA-N 2 2 294.403 -0.154 20 0 CBADLP C[C@H](CNC(=O)[C@H]1CCC[NH+]1C)[N@@H+](C)Cc1cnnn1C ZINC001448071431 913210362 /nfs/dbraw/zinc/21/03/62/913210362.db2.gz XFCCQEDVWSCLON-DGCLKSJQSA-N 2 2 294.403 -0.154 20 0 CBADLP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CC(N)=O ZINC001448139943 913233337 /nfs/dbraw/zinc/23/33/37/913233337.db2.gz BCPJGSQXYIQWJZ-RYUDHWBXSA-N 2 2 284.404 -0.217 20 0 CBADLP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CC(N)=O ZINC001448139943 913233353 /nfs/dbraw/zinc/23/33/53/913233353.db2.gz BCPJGSQXYIQWJZ-RYUDHWBXSA-N 2 2 284.404 -0.217 20 0 CBADLP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H](C)[N@H+](C)CC(N)=O ZINC001448139943 913233374 /nfs/dbraw/zinc/23/33/74/913233374.db2.gz BCPJGSQXYIQWJZ-RYUDHWBXSA-N 2 2 284.404 -0.217 20 0 CBADLP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H](C)[N@@H+](C)CC(N)=O ZINC001448139943 913233398 /nfs/dbraw/zinc/23/33/98/913233398.db2.gz BCPJGSQXYIQWJZ-RYUDHWBXSA-N 2 2 284.404 -0.217 20 0 CBADLP [NH3+]CC[C@H]1CCN(C(=O)C(=O)NCCn2cc[nH+]c2)C1 ZINC001335169027 888430264 /nfs/dbraw/zinc/43/02/64/888430264.db2.gz LIDITZYAWULVND-NSHDSACASA-N 2 2 279.344 -0.803 20 0 CBADLP C[NH+](C)CC1(C(=O)NC2(CCO)C[NH+](CCCO)C2)CC1 ZINC001448185685 913247779 /nfs/dbraw/zinc/24/77/79/913247779.db2.gz GKEWKWLZNSNAGO-UHFFFAOYSA-N 2 2 299.415 -0.736 20 0 CBADLP O[C@H](C[NH2+]CCn1cc[nH+]c1)C[C@]1(O)CCOC1 ZINC001335304547 888493758 /nfs/dbraw/zinc/49/37/58/888493758.db2.gz SUTGJYXFWCUIET-NWDGAFQWSA-N 2 2 255.318 -0.625 20 0 CBADLP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@H]2CCC[N@H+](C)C2)CC1 ZINC001335369545 888517604 /nfs/dbraw/zinc/51/76/04/888517604.db2.gz WOCINOBTUWPAFX-HUUCEWRRSA-N 3 2 284.448 -0.474 20 0 CBADLP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC001335369545 888517609 /nfs/dbraw/zinc/51/76/09/888517609.db2.gz WOCINOBTUWPAFX-HUUCEWRRSA-N 3 2 284.448 -0.474 20 0 CBADLP C[C@H]1CC[N@H+](CC[NH2+]C[C@H](O)C2(O)CCOCC2)C1 ZINC001335445438 888535814 /nfs/dbraw/zinc/53/58/14/888535814.db2.gz RVZCMGNLUYKPQN-STQMWFEESA-N 2 2 272.389 -0.180 20 0 CBADLP C[C@H]1CC[N@@H+](CC[NH2+]C[C@H](O)C2(O)CCOCC2)C1 ZINC001335445438 888535826 /nfs/dbraw/zinc/53/58/26/888535826.db2.gz RVZCMGNLUYKPQN-STQMWFEESA-N 2 2 272.389 -0.180 20 0 CBADLP O[C@H](C[NH2+][C@H]1Cc2c[nH+]cn2C1)C[C@@]1(O)CCOC1 ZINC001335468792 888542014 /nfs/dbraw/zinc/54/20/14/888542014.db2.gz VYAWACGNMJFEPD-DRZSPHRISA-N 2 2 267.329 -0.700 20 0 CBADLP CC(C)[C@@H](CCN(C)C(=O)Cc1c[nH+]c[nH]1)[NH2+]CC(N)=O ZINC001448210929 913259918 /nfs/dbraw/zinc/25/99/18/913259918.db2.gz CCLSYUJRRJGZLM-GFCCVEGCSA-N 2 2 295.387 -0.100 20 0 CBADLP COC[C@@H](C)NC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001335546791 888560300 /nfs/dbraw/zinc/56/03/00/888560300.db2.gz RXJHKOBTZRSBIP-SNVBAGLBSA-N 2 2 258.366 -0.256 20 0 CBADLP C[C@H]([NH3+])CN(C)C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001335622849 888585605 /nfs/dbraw/zinc/58/56/05/888585605.db2.gz JWICAYRYHQHMQM-JTQLQIEISA-N 3 2 257.382 -0.602 20 0 CBADLP CC(C)[C@H](CCN(C)C(=O)Cc1c[nH+]c[nH]1)[NH2+]CC(N)=O ZINC001448210930 913259547 /nfs/dbraw/zinc/25/95/47/913259547.db2.gz CCLSYUJRRJGZLM-LBPRGKRZSA-N 2 2 295.387 -0.100 20 0 CBADLP CC[C@H](CO)NC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001335648003 888593421 /nfs/dbraw/zinc/59/34/21/888593421.db2.gz ZRJKLZYECQOECB-LLVKDONJSA-N 2 2 258.366 -0.520 20 0 CBADLP C[C@H]1CCN(CC[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)C1 ZINC001335986735 888667145 /nfs/dbraw/zinc/66/71/45/888667145.db2.gz PQIZSNXTXUZXBS-LSDHHAIUSA-N 2 2 284.448 -0.474 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC001336117620 888697674 /nfs/dbraw/zinc/69/76/74/888697674.db2.gz SFSXPPQZAIJQET-LBPRGKRZSA-N 3 2 269.393 -0.539 20 0 CBADLP CCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)CCC[NH+](C)C)C1 ZINC001448316348 913271483 /nfs/dbraw/zinc/27/14/83/913271483.db2.gz AJXTYBYCPKSBEX-GFCCVEGCSA-N 2 2 298.431 -0.099 20 0 CBADLP C[C@H](NC(=O)C[N@H+](C)C1CCC1)C1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001448299221 913272184 /nfs/dbraw/zinc/27/21/84/913272184.db2.gz FQGHWJHISRFONZ-QWRGUYRKSA-N 2 2 296.415 -0.219 20 0 CBADLP C[C@H](NC(=O)C[N@@H+](C)C1CCC1)C1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001448299221 913272196 /nfs/dbraw/zinc/27/21/96/913272196.db2.gz FQGHWJHISRFONZ-QWRGUYRKSA-N 2 2 296.415 -0.219 20 0 CBADLP C[C@@H](NC(=O)C[N@H+](C)C1CCC1)C1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001448299218 913275549 /nfs/dbraw/zinc/27/55/49/913275549.db2.gz FQGHWJHISRFONZ-MNOVXSKESA-N 2 2 296.415 -0.219 20 0 CBADLP C[C@@H](NC(=O)C[N@@H+](C)C1CCC1)C1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001448299218 913275562 /nfs/dbraw/zinc/27/55/62/913275562.db2.gz FQGHWJHISRFONZ-MNOVXSKESA-N 2 2 296.415 -0.219 20 0 CBADLP COCCOCCNC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001336782977 888880496 /nfs/dbraw/zinc/88/04/96/888880496.db2.gz CULBUEKRGMWORE-UHFFFAOYSA-N 2 2 288.392 -0.628 20 0 CBADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)NCCC[NH3+] ZINC001336882415 888907513 /nfs/dbraw/zinc/90/75/13/888907513.db2.gz BRJPYADBFNQDTR-NSHDSACASA-N 2 2 258.366 -0.255 20 0 CBADLP COCC[C@H]([NH3+])C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC001336977215 888941101 /nfs/dbraw/zinc/94/11/01/888941101.db2.gz GUTGXMLJCBXACA-MNOVXSKESA-N 2 2 254.334 -0.001 20 0 CBADLP C[NH2+]CCOCCN(C)C(=O)NCc1c[nH+]cn1C ZINC001337637889 889058910 /nfs/dbraw/zinc/05/89/10/889058910.db2.gz UXXGCAYTRIVMQI-UHFFFAOYSA-N 2 2 269.349 -0.203 20 0 CBADLP Cn1c[nH+]c(CCNC(=O)C(=O)N2CC[C@H](CC[NH3+])C2)c1 ZINC001338278333 889133016 /nfs/dbraw/zinc/13/30/16/889133016.db2.gz PRHRDZWVBZXYDA-NSHDSACASA-N 2 2 293.371 -0.724 20 0 CBADLP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC001340043903 889368175 /nfs/dbraw/zinc/36/81/75/889368175.db2.gz CQMSLGVMEXLARX-NXEZZACHSA-N 2 2 268.317 -0.332 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC001340076564 889379447 /nfs/dbraw/zinc/37/94/47/889379447.db2.gz GNXJKQVGKOWKDQ-FVCCEPFGSA-N 2 2 267.373 -0.321 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC001340076564 889379460 /nfs/dbraw/zinc/37/94/60/889379460.db2.gz GNXJKQVGKOWKDQ-FVCCEPFGSA-N 2 2 267.373 -0.321 20 0 CBADLP CC1(C)CC[NH2+][C@@H]1C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001340943346 889518613 /nfs/dbraw/zinc/51/86/13/889518613.db2.gz SMKYFSNVQUPCPY-GFCCVEGCSA-N 3 2 268.405 -0.086 20 0 CBADLP [NH3+][C@]1(CO)CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001341117367 889544647 /nfs/dbraw/zinc/54/46/47/889544647.db2.gz XYSMMMGXPKIILC-GFCCVEGCSA-N 2 2 252.318 -0.415 20 0 CBADLP COC[C@@H]1C[NH2+]CCN1C(=O)[C@H](C)n1cc[nH+]c1 ZINC001341517001 889611907 /nfs/dbraw/zinc/61/19/07/889611907.db2.gz PVVZTPLFBBNPLE-QWRGUYRKSA-N 2 2 252.318 -0.109 20 0 CBADLP C[C@@]1(C(=O)N2CC[NH+](C3CC3)CC2)C[C@@H](O)C[NH2+]1 ZINC001341552460 889620606 /nfs/dbraw/zinc/62/06/06/889620606.db2.gz MUCCGQWQVFEEPR-YPMHNXCESA-N 2 2 253.346 -0.594 20 0 CBADLP CCOCC[NH+]1CCN(C(=O)C23CC(C2)C[NH2+]3)CC1 ZINC001341647264 889640763 /nfs/dbraw/zinc/64/07/63/889640763.db2.gz URVOGCACFOACMF-UHFFFAOYSA-N 2 2 267.373 -0.081 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)COCC2CC2)CC1 ZINC001341690900 889649538 /nfs/dbraw/zinc/64/95/38/889649538.db2.gz POBPYCJRLUWGJP-UHFFFAOYSA-N 2 2 255.362 -0.048 20 0 CBADLP C[NH2+]CCOCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001342301396 889749799 /nfs/dbraw/zinc/74/97/99/889749799.db2.gz JMVUHABNMBYEAA-LLVKDONJSA-N 2 2 266.345 -0.202 20 0 CBADLP [NH3+]Cc1ncc(C(=O)N2CC[NH2+]C[C@@H]2CO)s1 ZINC001342360290 889761379 /nfs/dbraw/zinc/76/13/79/889761379.db2.gz WXTAJTDGOIULOC-SSDOTTSWSA-N 2 2 256.331 -0.992 20 0 CBADLP C[C@H]1CC[NH2+][C@@H](C(=O)NCC[NH+]2CCC([NH3+])CC2)C1 ZINC001342548208 889791688 /nfs/dbraw/zinc/79/16/88/889791688.db2.gz AJCDQDOVNIZUAZ-WCQYABFASA-N 3 2 268.405 -0.086 20 0 CBADLP C[NH+]1CCN(C(=O)c2ccn(CCC[NH3+])n2)CC1 ZINC001343460400 889911719 /nfs/dbraw/zinc/91/17/19/889911719.db2.gz ZPUNLLCGTUGAIM-UHFFFAOYSA-N 2 2 251.334 -0.381 20 0 CBADLP O=C(NC[C@H]1COCC[NH2+]1)[C@@H]1[NH2+]CCc2occc21 ZINC001344356182 890016425 /nfs/dbraw/zinc/01/64/25/890016425.db2.gz BGBSUCCUGBJGIM-JOYOIKCWSA-N 2 2 265.313 -0.429 20 0 CBADLP O=C(NC[C@@H]1COCC[NH2+]1)[C@H]1CCc2c[nH+]cn2C1 ZINC001344358430 890020728 /nfs/dbraw/zinc/02/07/28/890020728.db2.gz XOBXSFRANJMQBW-WDEREUQCSA-N 2 2 264.329 -0.450 20 0 CBADLP C[NH+]1CCN(C[C@@H](O)C[NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC001345607200 890144737 /nfs/dbraw/zinc/14/47/37/890144737.db2.gz VGVYOJQEVIJMIW-INIZCTEOSA-N 3 2 296.459 -0.189 20 0 CBADLP CC(C)[C@H]([NH3+])CC[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC001346017147 890195582 /nfs/dbraw/zinc/19/55/82/890195582.db2.gz KNACRTUOLQAXHO-GFCCVEGCSA-N 3 2 256.394 -0.277 20 0 CBADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC001346017147 890195588 /nfs/dbraw/zinc/19/55/88/890195588.db2.gz KNACRTUOLQAXHO-GFCCVEGCSA-N 3 2 256.394 -0.277 20 0 CBADLP C[N@@H+]1CCN(C(=O)[C@H](F)[C@@H]2CC[NH2+]C2)[C@H](CO)C1 ZINC001346229070 890245828 /nfs/dbraw/zinc/24/58/28/890245828.db2.gz PKWMMYSERBQGJI-OUAUKWLOSA-N 2 2 259.325 -0.931 20 0 CBADLP C[N@H+]1CCN(C(=O)[C@H](F)[C@@H]2CC[NH2+]C2)[C@H](CO)C1 ZINC001346229070 890245844 /nfs/dbraw/zinc/24/58/44/890245844.db2.gz PKWMMYSERBQGJI-OUAUKWLOSA-N 2 2 259.325 -0.931 20 0 CBADLP Cc1cn(C(C)(C)C(=O)NC[C@H](CO)[NH2+]C[C@@H](C)O)c[nH+]1 ZINC001448867150 913434579 /nfs/dbraw/zinc/43/45/79/913434579.db2.gz SVCJBPDLWUDLFF-VXGBXAGGSA-N 2 2 298.387 -0.626 20 0 CBADLP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@H]1C ZINC001448973040 913474562 /nfs/dbraw/zinc/47/45/62/913474562.db2.gz ATMAQBMLVOLQNH-VHSXEESVSA-N 2 2 279.344 -0.723 20 0 CBADLP CC(C)[NH+]1CC(NC(=O)[C@H]2C[N@@H+]3CCN2C[C@H]3C)C1 ZINC001349456774 890818261 /nfs/dbraw/zinc/81/82/61/890818261.db2.gz VZEOCYFUPHVFRG-DGCLKSJQSA-N 2 2 266.389 -0.417 20 0 CBADLP CC(C)[NH+]1CC(NC(=O)[C@H]2C[N@H+]3CCN2C[C@H]3C)C1 ZINC001349456774 890818273 /nfs/dbraw/zinc/81/82/73/890818273.db2.gz VZEOCYFUPHVFRG-DGCLKSJQSA-N 2 2 266.389 -0.417 20 0 CBADLP C[NH2+]CCOCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001349607569 890846024 /nfs/dbraw/zinc/84/60/24/890846024.db2.gz CIOQYFYICDXLKR-NXEZZACHSA-N 2 2 252.318 -0.135 20 0 CBADLP C[NH2+]CCOCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001349607569 890846035 /nfs/dbraw/zinc/84/60/35/890846035.db2.gz CIOQYFYICDXLKR-NXEZZACHSA-N 2 2 252.318 -0.135 20 0 CBADLP OC/C=C\C[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC001350154831 890942642 /nfs/dbraw/zinc/94/26/42/890942642.db2.gz OIVJTBWLGVJKBX-UPHRSURJSA-N 2 2 283.416 -0.079 20 0 CBADLP [NH3+]CC12CC(C1)CN2C(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC001350404886 890979521 /nfs/dbraw/zinc/97/95/21/890979521.db2.gz FZXXSFQAQUMQTJ-UHFFFAOYSA-N 2 2 261.329 -0.381 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NCC[NH+]1CCC(O)CC1 ZINC001351249526 891123474 /nfs/dbraw/zinc/12/34/74/891123474.db2.gz WMJJWIGEDHOXKX-UHFFFAOYSA-N 2 2 266.345 -0.465 20 0 CBADLP C[C@@H]([NH3+])CN(C)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC001351538879 891152359 /nfs/dbraw/zinc/15/23/59/891152359.db2.gz KUXZOSNGDPCQKE-MNOVXSKESA-N 2 2 258.366 -0.304 20 0 CBADLP C[C@@H]([NH3+])CN(C)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC001351538879 891152362 /nfs/dbraw/zinc/15/23/62/891152362.db2.gz KUXZOSNGDPCQKE-MNOVXSKESA-N 2 2 258.366 -0.304 20 0 CBADLP C[NH2+]C[C@](C)(O)C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC001351798619 891189809 /nfs/dbraw/zinc/18/98/09/891189809.db2.gz APUGGHRQLNBYCF-HNNXBMFYSA-N 3 2 284.448 -0.331 20 0 CBADLP CN(C[C@H](O)C[N@H+](C)CCF)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001449186883 913534440 /nfs/dbraw/zinc/53/44/40/913534440.db2.gz KJPSVOGVSZXAHQ-VXGBXAGGSA-N 2 2 291.367 -0.962 20 0 CBADLP CN(C[C@H](O)C[N@@H+](C)CCF)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001449186883 913534451 /nfs/dbraw/zinc/53/44/51/913534451.db2.gz KJPSVOGVSZXAHQ-VXGBXAGGSA-N 2 2 291.367 -0.962 20 0 CBADLP CN(C[C@H](O)C[NH+](C)CCF)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001449186883 913534462 /nfs/dbraw/zinc/53/44/62/913534462.db2.gz KJPSVOGVSZXAHQ-VXGBXAGGSA-N 2 2 291.367 -0.962 20 0 CBADLP CN(C[C@H](O)C[NH+](C)CCF)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001449186883 913534478 /nfs/dbraw/zinc/53/44/78/913534478.db2.gz KJPSVOGVSZXAHQ-VXGBXAGGSA-N 2 2 291.367 -0.962 20 0 CBADLP CC[NH2+][C@H](C)C(=O)N1CC[NH2+]C[C@H]1C(=O)OCC ZINC001352837711 891305782 /nfs/dbraw/zinc/30/57/82/891305782.db2.gz XPRPIVNAEYNRGC-ZJUUUORDSA-N 2 2 257.334 -0.652 20 0 CBADLP C[C@@H](C(=O)N1CC(CN2CC[NH+](C)CC2)C1)[NH+](C)C ZINC001352901431 891318690 /nfs/dbraw/zinc/31/86/90/891318690.db2.gz UXUPACPPPXVRFI-LBPRGKRZSA-N 2 2 268.405 -0.358 20 0 CBADLP CC(=O)NCCCNC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001353272959 891390949 /nfs/dbraw/zinc/39/09/49/891390949.db2.gz LKFRSSKBTXMVKG-UHFFFAOYSA-N 2 2 285.392 -0.765 20 0 CBADLP C[C@@H](CNC(=O)CC1CC([NH3+])C1)[NH+]1CCN(C)CC1 ZINC001353584364 891450108 /nfs/dbraw/zinc/45/01/08/891450108.db2.gz VGSHQOXGNPNRFA-HIFPTAJRSA-N 2 2 268.405 -0.134 20 0 CBADLP [NH3+][C@@H](C(=O)NCC[NH+]1CCC([NH3+])CC1)C1CCC1 ZINC001354771180 891614992 /nfs/dbraw/zinc/61/49/92/891614992.db2.gz RCMZXYXLWCXOFE-GFCCVEGCSA-N 3 2 254.378 -0.347 20 0 CBADLP Cc1ncc(C(=O)NCC[NH+]2CCC([NH3+])CC2)n1C ZINC001358110908 891971780 /nfs/dbraw/zinc/97/17/80/891971780.db2.gz CEHGHYZASXCWTI-UHFFFAOYSA-N 2 2 265.361 -0.119 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC001358239045 891981878 /nfs/dbraw/zinc/98/18/78/891981878.db2.gz WCMXJFWCGRNVJF-ZWNOBZJWSA-N 2 2 266.345 -0.100 20 0 CBADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC001358239045 891981886 /nfs/dbraw/zinc/98/18/86/891981886.db2.gz WCMXJFWCGRNVJF-ZWNOBZJWSA-N 2 2 266.345 -0.100 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC001358239043 891982628 /nfs/dbraw/zinc/98/26/28/891982628.db2.gz WCMXJFWCGRNVJF-MFKMUULPSA-N 2 2 266.345 -0.100 20 0 CBADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC001358239043 891982641 /nfs/dbraw/zinc/98/26/41/891982641.db2.gz WCMXJFWCGRNVJF-MFKMUULPSA-N 2 2 266.345 -0.100 20 0 CBADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC001358239041 891983187 /nfs/dbraw/zinc/98/31/87/891983187.db2.gz WCMXJFWCGRNVJF-GWCFXTLKSA-N 2 2 266.345 -0.100 20 0 CBADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC001358239041 891983193 /nfs/dbraw/zinc/98/31/93/891983193.db2.gz WCMXJFWCGRNVJF-GWCFXTLKSA-N 2 2 266.345 -0.100 20 0 CBADLP CN(C(=O)C1(O)COC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001361950162 892334332 /nfs/dbraw/zinc/33/43/32/892334332.db2.gz PWYJEXHVRXGMQV-CYBMUJFWSA-N 2 2 297.399 -0.625 20 0 CBADLP CN(C(=O)C1(O)COC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001361950162 892334347 /nfs/dbraw/zinc/33/43/47/892334347.db2.gz PWYJEXHVRXGMQV-CYBMUJFWSA-N 2 2 297.399 -0.625 20 0 CBADLP CN(C(=O)C1(O)COC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001361950163 892334886 /nfs/dbraw/zinc/33/48/86/892334886.db2.gz PWYJEXHVRXGMQV-ZDUSSCGKSA-N 2 2 297.399 -0.625 20 0 CBADLP CN(C(=O)C1(O)COC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001361950163 892334903 /nfs/dbraw/zinc/33/49/03/892334903.db2.gz PWYJEXHVRXGMQV-ZDUSSCGKSA-N 2 2 297.399 -0.625 20 0 CBADLP C[NH+](C)C1(C(=O)NC2CC[NH+]([C@H]3CCOC3=O)CC2)CC1 ZINC001362317976 892590277 /nfs/dbraw/zinc/59/02/77/892590277.db2.gz HOMAJHJHUYSJMW-LBPRGKRZSA-N 2 2 295.383 -0.023 20 0 CBADLP C[NH+](C)CCCC(=O)NC1CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001450476436 913700069 /nfs/dbraw/zinc/70/00/69/913700069.db2.gz CYFGJULJGSVNCZ-UHFFFAOYSA-N 2 2 293.371 -0.379 20 0 CBADLP CC[N@H+]1CC[C@H]1C(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC001450605663 913720744 /nfs/dbraw/zinc/72/07/44/913720744.db2.gz RDCDDJCLRZBVNC-NEPJUHHUSA-N 2 2 255.362 -0.347 20 0 CBADLP C[C@@H](C(=O)NCC[NH+]1CCC(O)CC1)N1CC[NH+](C)CC1 ZINC001363250251 893494598 /nfs/dbraw/zinc/49/45/98/893494598.db2.gz AZOXRKZCKUCOSC-ZDUSSCGKSA-N 2 2 298.431 -0.805 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@H](c3nn[nH]n3)C2)CC1 ZINC001363812334 894021441 /nfs/dbraw/zinc/02/14/41/894021441.db2.gz AJTGZZIUUQNOTH-NSHDSACASA-N 2 2 293.375 -0.847 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@H](c3nn[nH]n3)C2)CC1 ZINC001363812334 894021458 /nfs/dbraw/zinc/02/14/58/894021458.db2.gz AJTGZZIUUQNOTH-NSHDSACASA-N 2 2 293.375 -0.847 20 0 CBADLP C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](c3nn[nH]n3)C2)CC1 ZINC001363820762 894035261 /nfs/dbraw/zinc/03/52/61/894035261.db2.gz SFNOJDDAUIYNSL-JTQLQIEISA-N 2 2 293.375 -0.801 20 0 CBADLP C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](c3nn[nH]n3)C2)CC1 ZINC001363820762 894035278 /nfs/dbraw/zinc/03/52/78/894035278.db2.gz SFNOJDDAUIYNSL-JTQLQIEISA-N 2 2 293.375 -0.801 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCN1C[C@@H]2CCC[NH+]2C[C@@H]1CO ZINC001363824991 894037790 /nfs/dbraw/zinc/03/77/90/894037790.db2.gz KYWHDZAJFMVFGW-QLFBSQMISA-N 2 2 283.416 -0.152 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCN1C[C@@H]2CCC[NH+]2C[C@@H]1CO ZINC001363824991 894037808 /nfs/dbraw/zinc/03/78/08/894037808.db2.gz KYWHDZAJFMVFGW-QLFBSQMISA-N 2 2 283.416 -0.152 20 0 CBADLP C[C@@H]1COCC[NH+]1CCN1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC001363824991 894037825 /nfs/dbraw/zinc/03/78/25/894037825.db2.gz KYWHDZAJFMVFGW-QLFBSQMISA-N 2 2 283.416 -0.152 20 0 CBADLP C[C@@H]1COCC[NH+]1CCN1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC001363824991 894037843 /nfs/dbraw/zinc/03/78/43/894037843.db2.gz KYWHDZAJFMVFGW-QLFBSQMISA-N 2 2 283.416 -0.152 20 0 CBADLP Cn1c[nH+]cc1CC[N@@H+]1CCN2CCOC[C@@]2(CO)C1 ZINC001363849626 894058267 /nfs/dbraw/zinc/05/82/67/894058267.db2.gz VYMJISVONWAXDR-AWEZNQCLSA-N 2 2 280.372 -0.659 20 0 CBADLP Cn1c[nH+]cc1CC[N@H+]1CCN2CCOC[C@@]2(CO)C1 ZINC001363849626 894058284 /nfs/dbraw/zinc/05/82/84/894058284.db2.gz VYMJISVONWAXDR-AWEZNQCLSA-N 2 2 280.372 -0.659 20 0 CBADLP Cn1c[nH+]cc1CC[N@@H+]1CCN2CCOC[C@]2(CO)C1 ZINC001363849629 894059263 /nfs/dbraw/zinc/05/92/63/894059263.db2.gz VYMJISVONWAXDR-CQSZACIVSA-N 2 2 280.372 -0.659 20 0 CBADLP Cn1c[nH+]cc1CC[N@H+]1CCN2CCOC[C@]2(CO)C1 ZINC001363849629 894059277 /nfs/dbraw/zinc/05/92/77/894059277.db2.gz VYMJISVONWAXDR-CQSZACIVSA-N 2 2 280.372 -0.659 20 0 CBADLP CC[N@@H+]1CC[C@@H]1C(=O)NC[C@@]1(CO)COC[C@@H]2CCC[NH+]21 ZINC001363973198 894121933 /nfs/dbraw/zinc/12/19/33/894121933.db2.gz LBEJFCYVDAOMRZ-GZBFAFLISA-N 2 2 297.399 -0.578 20 0 CBADLP CC[N@H+]1CC[C@@H]1C(=O)NC[C@@]1(CO)COC[C@@H]2CCC[NH+]21 ZINC001363973198 894121945 /nfs/dbraw/zinc/12/19/45/894121945.db2.gz LBEJFCYVDAOMRZ-GZBFAFLISA-N 2 2 297.399 -0.578 20 0 CBADLP CC[NH+]1CC[C@@H]1C(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001363973198 894121957 /nfs/dbraw/zinc/12/19/57/894121957.db2.gz LBEJFCYVDAOMRZ-GZBFAFLISA-N 2 2 297.399 -0.578 20 0 CBADLP CC[NH+]1CC[C@@H]1C(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001363973198 894121968 /nfs/dbraw/zinc/12/19/68/894121968.db2.gz LBEJFCYVDAOMRZ-GZBFAFLISA-N 2 2 297.399 -0.578 20 0 CBADLP CC(C)[C@@H]1CN(S(=O)(=O)N2CC[NH+](C)CC2)CC[NH2+]1 ZINC001364025126 894153830 /nfs/dbraw/zinc/15/38/30/894153830.db2.gz AKSYWNNZJONSCQ-LBPRGKRZSA-N 2 2 290.433 -0.592 20 0 CBADLP C[NH+](C)Cc1ccc(C(=O)NC[C@]2(CO)COCC[NH2+]2)o1 ZINC001364470256 894442730 /nfs/dbraw/zinc/44/27/30/894442730.db2.gz AIRXHNCFQUCNOU-AWEZNQCLSA-N 2 2 297.355 -0.578 20 0 CBADLP NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+](C[C@@H]2CNC(=O)C2)CC1 ZINC001364654936 894549337 /nfs/dbraw/zinc/54/93/37/894549337.db2.gz FNYSKFLJBYVOQI-WCQYABFASA-N 2 2 294.399 -0.463 20 0 CBADLP NC(=O)[C@H]1CCC[N@H+]1C1CC[NH+](C[C@@H]2CNC(=O)C2)CC1 ZINC001364654936 894549347 /nfs/dbraw/zinc/54/93/47/894549347.db2.gz FNYSKFLJBYVOQI-WCQYABFASA-N 2 2 294.399 -0.463 20 0 CBADLP C[C@@H](CN1CC[N@H+](CCO)[C@H](C)C1)C[NH+]1CCOCC1 ZINC001364691500 894566096 /nfs/dbraw/zinc/56/60/96/894566096.db2.gz UGDNTHZGVBQFGX-HUUCEWRRSA-N 2 2 285.432 -0.047 20 0 CBADLP C[C@@H](CN1CC[N@@H+](CCO)[C@H](C)C1)C[NH+]1CCOCC1 ZINC001364691500 894566108 /nfs/dbraw/zinc/56/61/08/894566108.db2.gz UGDNTHZGVBQFGX-HUUCEWRRSA-N 2 2 285.432 -0.047 20 0 CBADLP O=C(C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)N1CCCO1 ZINC001364772460 894611417 /nfs/dbraw/zinc/61/14/17/894611417.db2.gz QEDJSFVKWLEYGY-ZDUSSCGKSA-N 2 2 283.372 -0.007 20 0 CBADLP C[C@H](CNS(=O)(=O)N1CC[NH+](C)CC1)[N@H+](C)C1CC1 ZINC001364794543 894621673 /nfs/dbraw/zinc/62/16/73/894621673.db2.gz FPFUMVFPHWKJSX-LLVKDONJSA-N 2 2 290.433 -0.449 20 0 CBADLP C[C@H](CNS(=O)(=O)N1CC[NH+](C)CC1)[N@@H+](C)C1CC1 ZINC001364794543 894621682 /nfs/dbraw/zinc/62/16/82/894621682.db2.gz FPFUMVFPHWKJSX-LLVKDONJSA-N 2 2 290.433 -0.449 20 0 CBADLP C[C@H](CNS(=O)(=O)N1CC[NH+](C)CC1)C[NH+](C)C ZINC001364873247 894665507 /nfs/dbraw/zinc/66/55/07/894665507.db2.gz SURQXVZDADREQX-LLVKDONJSA-N 2 2 278.422 -0.734 20 0 CBADLP CC(C)(O)[C@@H](O)C[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001365269809 894858307 /nfs/dbraw/zinc/85/83/07/894858307.db2.gz FGJFKFJIWRNMGU-ZDUSSCGKSA-N 2 2 299.415 -0.642 20 0 CBADLP C[C@@H]1C[N@H+](CCO)CCN1CC[NH+]1CCOC[C@H]1C ZINC001365308727 894889192 /nfs/dbraw/zinc/88/91/92/894889192.db2.gz FRMMBWUEBGTPBD-ZIAGYGMSSA-N 2 2 271.405 -0.295 20 0 CBADLP C[C@@H]1C[N@@H+](CCO)CCN1CC[NH+]1CCOC[C@H]1C ZINC001365308727 894889203 /nfs/dbraw/zinc/88/92/03/894889203.db2.gz FRMMBWUEBGTPBD-ZIAGYGMSSA-N 2 2 271.405 -0.295 20 0 CBADLP C[C@@H]1C[NH+](CCO)CCN1CC[N@H+]1CCOC[C@H]1C ZINC001365308727 894889224 /nfs/dbraw/zinc/88/92/24/894889224.db2.gz FRMMBWUEBGTPBD-ZIAGYGMSSA-N 2 2 271.405 -0.295 20 0 CBADLP O=C(CCn1cc[nH+]c1)N1CC2(C1)CC[N@@H+](CCO)C2 ZINC001365528834 895003057 /nfs/dbraw/zinc/00/30/57/895003057.db2.gz XHIBQYZPEYJQPN-UHFFFAOYSA-N 2 2 278.356 -0.200 20 0 CBADLP O=C(CCn1cc[nH+]c1)N1CC2(C1)CC[N@H+](CCO)C2 ZINC001365528834 895003074 /nfs/dbraw/zinc/00/30/74/895003074.db2.gz XHIBQYZPEYJQPN-UHFFFAOYSA-N 2 2 278.356 -0.200 20 0 CBADLP CN(C[C@H]1CC[N@@H+]1[C@@H]1CCNC1=O)C(=O)CC[NH+](C)C ZINC001365787532 895122961 /nfs/dbraw/zinc/12/29/61/895122961.db2.gz BFWZOPXCCQSZBN-VXGBXAGGSA-N 2 2 282.388 -0.641 20 0 CBADLP CN(C[C@H]1CC[N@H+]1[C@@H]1CCNC1=O)C(=O)CC[NH+](C)C ZINC001365787532 895122970 /nfs/dbraw/zinc/12/29/70/895122970.db2.gz BFWZOPXCCQSZBN-VXGBXAGGSA-N 2 2 282.388 -0.641 20 0 CBADLP COC[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001365998870 895165862 /nfs/dbraw/zinc/16/58/62/895165862.db2.gz MSMHPLQLMHRHAB-RYUDHWBXSA-N 2 2 296.371 -0.542 20 0 CBADLP COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001365998870 895165871 /nfs/dbraw/zinc/16/58/71/895165871.db2.gz MSMHPLQLMHRHAB-RYUDHWBXSA-N 2 2 296.371 -0.542 20 0 CBADLP C[C@@H](CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1)[NH2+]CCO ZINC001366286669 895260010 /nfs/dbraw/zinc/26/00/10/895260010.db2.gz HYXDWYZWMVRWOE-GWCFXTLKSA-N 2 2 295.387 -0.123 20 0 CBADLP C[C@@H](CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1)[NH2+]CCO ZINC001366286669 895260020 /nfs/dbraw/zinc/26/00/20/895260020.db2.gz HYXDWYZWMVRWOE-GWCFXTLKSA-N 2 2 295.387 -0.123 20 0 CBADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]Cc1cnnn1C ZINC001366344286 895285861 /nfs/dbraw/zinc/28/58/61/895285861.db2.gz HAWIOKRQCQPKRL-VIFPVBQESA-N 2 2 277.332 -0.625 20 0 CBADLP CC[C@H]([NH2+][C@H](C)CNC(=O)Cc1[nH]c[nH+]c1C)C(N)=O ZINC001366363814 895292711 /nfs/dbraw/zinc/29/27/11/895292711.db2.gz SXWMWRIGGVACGH-SCZZXKLOSA-N 2 2 281.360 -0.381 20 0 CBADLP C[C@@H]([NH2+]C[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1)C(N)=O ZINC001366410618 895312349 /nfs/dbraw/zinc/31/23/49/895312349.db2.gz BKHBEXFKPHVHLX-VXGBXAGGSA-N 2 2 293.371 -0.415 20 0 CBADLP NC(=O)C[NH2+][C@H]1CCC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001366433160 895319756 /nfs/dbraw/zinc/31/97/56/895319756.db2.gz NGSFLWONBNOJGM-WDEREUQCSA-N 2 2 293.371 -0.155 20 0 CBADLP NC(=O)C[NH2+][C@H]1CCC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001366433160 895319744 /nfs/dbraw/zinc/31/97/44/895319744.db2.gz NGSFLWONBNOJGM-WDEREUQCSA-N 2 2 293.371 -0.155 20 0 CBADLP C[C@@H](CCNC(=O)CCc1c[nH]c[nH+]1)[NH2+][C@H]1CCNC1=O ZINC001366458536 895323997 /nfs/dbraw/zinc/32/39/97/895323997.db2.gz DKAWLAKJOKGBMZ-JQWIXIFHSA-N 2 2 293.371 -0.285 20 0 CBADLP C[C@@H](CCNC(=O)CCc1c[nH+]c[nH]1)[NH2+][C@H]1CCNC1=O ZINC001366458536 895324009 /nfs/dbraw/zinc/32/40/09/895324009.db2.gz DKAWLAKJOKGBMZ-JQWIXIFHSA-N 2 2 293.371 -0.285 20 0 CBADLP C[C@@H]([NH2+][C@@H](C)CCNC(=O)CCn1cc[nH+]c1)C(N)=O ZINC001366471922 895328151 /nfs/dbraw/zinc/32/81/51/895328151.db2.gz LKJAXNBHYSDROB-WDEREUQCSA-N 2 2 281.360 -0.369 20 0 CBADLP C[C@@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+][C@H]1CCNC1=O ZINC001366510876 895338273 /nfs/dbraw/zinc/33/82/73/895338273.db2.gz UCIVBTSMEYLXHE-QWRGUYRKSA-N 2 2 279.344 -0.744 20 0 CBADLP C[C@H](C(=O)NCC[N@H+](C)CC(N)=O)[NH+]1CCCCCC1 ZINC001366570221 895391981 /nfs/dbraw/zinc/39/19/81/895391981.db2.gz KOEDEPIOFMCWDU-GFCCVEGCSA-N 2 2 284.404 -0.216 20 0 CBADLP C[C@H](C(=O)NCC[N@@H+](C)CC(N)=O)[NH+]1CCCCCC1 ZINC001366570221 895391998 /nfs/dbraw/zinc/39/19/98/895391998.db2.gz KOEDEPIOFMCWDU-GFCCVEGCSA-N 2 2 284.404 -0.216 20 0 CBADLP COC[C@@H](O)C[N@H+](C)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001366579302 895395250 /nfs/dbraw/zinc/39/52/50/895395250.db2.gz QVHIDZREDZYPLP-JTQLQIEISA-N 2 2 270.333 -0.993 20 0 CBADLP COC[C@@H](O)C[N@@H+](C)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001366579302 895395264 /nfs/dbraw/zinc/39/52/64/895395264.db2.gz QVHIDZREDZYPLP-JTQLQIEISA-N 2 2 270.333 -0.993 20 0 CBADLP C[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)CC(=O)NC(C)(C)C ZINC001366591457 895403579 /nfs/dbraw/zinc/40/35/79/895403579.db2.gz FNQMNLIMZFXBRH-GFCCVEGCSA-N 2 2 298.431 -0.099 20 0 CBADLP C[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)CC(=O)NC(C)(C)C ZINC001366591457 895403590 /nfs/dbraw/zinc/40/35/90/895403590.db2.gz FNQMNLIMZFXBRH-GFCCVEGCSA-N 2 2 298.431 -0.099 20 0 CBADLP C[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)CC(=O)NC(C)(C)C ZINC001366591457 895403600 /nfs/dbraw/zinc/40/36/00/895403600.db2.gz FNQMNLIMZFXBRH-GFCCVEGCSA-N 2 2 298.431 -0.099 20 0 CBADLP C[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)CC(=O)NC(C)(C)C ZINC001366591457 895403612 /nfs/dbraw/zinc/40/36/12/895403612.db2.gz FNQMNLIMZFXBRH-GFCCVEGCSA-N 2 2 298.431 -0.099 20 0 CBADLP C[C@H](CC(=O)N(C)CC[NH2+][C@@H](C)C(N)=O)n1cc[nH+]c1 ZINC001366772279 895456657 /nfs/dbraw/zinc/45/66/57/895456657.db2.gz GQWRERGCKJHSSH-MNOVXSKESA-N 2 2 281.360 -0.244 20 0 CBADLP COC[C@@H](O)C[NH+]1CC(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001366935385 895496068 /nfs/dbraw/zinc/49/60/68/895496068.db2.gz HBPNAVPXMCFWOQ-ZDUSSCGKSA-N 2 2 285.388 -0.864 20 0 CBADLP O=C(CC[NH+]1CCOCC1)NC1C[NH+](C[C@@H]2CCOC2)C1 ZINC001366940021 895499401 /nfs/dbraw/zinc/49/94/01/895499401.db2.gz KEBXZPAXKJFYFC-ZDUSSCGKSA-N 2 2 297.399 -0.454 20 0 CBADLP CCN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001367005551 895527884 /nfs/dbraw/zinc/52/78/84/895527884.db2.gz BNSLBOZOQOQLJN-STQMWFEESA-N 2 2 296.415 -0.251 20 0 CBADLP CCN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001367005551 895527893 /nfs/dbraw/zinc/52/78/93/895527893.db2.gz BNSLBOZOQOQLJN-STQMWFEESA-N 2 2 296.415 -0.251 20 0 CBADLP CCN(C)C(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001367005551 895527902 /nfs/dbraw/zinc/52/79/02/895527902.db2.gz BNSLBOZOQOQLJN-STQMWFEESA-N 2 2 296.415 -0.251 20 0 CBADLP CCN(C)C(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001367005551 895527918 /nfs/dbraw/zinc/52/79/18/895527918.db2.gz BNSLBOZOQOQLJN-STQMWFEESA-N 2 2 296.415 -0.251 20 0 CBADLP CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001367015391 895529741 /nfs/dbraw/zinc/52/97/41/895529741.db2.gz BZTMCQYRASDNFS-RYUDHWBXSA-N 2 2 284.404 -0.347 20 0 CBADLP CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001367015391 895529750 /nfs/dbraw/zinc/52/97/50/895529750.db2.gz BZTMCQYRASDNFS-RYUDHWBXSA-N 2 2 284.404 -0.347 20 0 CBADLP CN(C(=O)C[NH+](C)C1CCC1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001367042624 895540067 /nfs/dbraw/zinc/54/00/67/895540067.db2.gz BXVHMPGQRYASPM-LBPRGKRZSA-N 2 2 282.388 -0.511 20 0 CBADLP CN(C(=O)C[NH+](C)C1CCC1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001367042624 895540080 /nfs/dbraw/zinc/54/00/80/895540080.db2.gz BXVHMPGQRYASPM-LBPRGKRZSA-N 2 2 282.388 -0.511 20 0 CBADLP CN(C(=O)C[N@H+](C)C1CCC1)[C@H]1CC[NH+](CC(N)=O)C1 ZINC001367042624 895540096 /nfs/dbraw/zinc/54/00/96/895540096.db2.gz BXVHMPGQRYASPM-LBPRGKRZSA-N 2 2 282.388 -0.511 20 0 CBADLP CN(C(=O)C[N@@H+](C)C1CCC1)[C@H]1CC[NH+](CC(N)=O)C1 ZINC001367042624 895540106 /nfs/dbraw/zinc/54/01/06/895540106.db2.gz BXVHMPGQRYASPM-LBPRGKRZSA-N 2 2 282.388 -0.511 20 0 CBADLP COC[C@@H](O)C[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001367036599 895541638 /nfs/dbraw/zinc/54/16/38/895541638.db2.gz YIBAPVCSRFZKPC-YPMHNXCESA-N 2 2 296.371 -0.840 20 0 CBADLP COC[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001367036599 895541647 /nfs/dbraw/zinc/54/16/47/895541647.db2.gz YIBAPVCSRFZKPC-YPMHNXCESA-N 2 2 296.371 -0.840 20 0 CBADLP CN(C(=O)C[NH+](C)C1CCC1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001367042622 895541798 /nfs/dbraw/zinc/54/17/98/895541798.db2.gz BXVHMPGQRYASPM-GFCCVEGCSA-N 2 2 282.388 -0.511 20 0 CBADLP CN(C(=O)C[NH+](C)C1CCC1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001367042622 895541803 /nfs/dbraw/zinc/54/18/03/895541803.db2.gz BXVHMPGQRYASPM-GFCCVEGCSA-N 2 2 282.388 -0.511 20 0 CBADLP CN(C(=O)C[N@H+](C)C1CCC1)[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001367042622 895541809 /nfs/dbraw/zinc/54/18/09/895541809.db2.gz BXVHMPGQRYASPM-GFCCVEGCSA-N 2 2 282.388 -0.511 20 0 CBADLP CN(C(=O)C[N@@H+](C)C1CCC1)[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001367042622 895541820 /nfs/dbraw/zinc/54/18/20/895541820.db2.gz BXVHMPGQRYASPM-GFCCVEGCSA-N 2 2 282.388 -0.511 20 0 CBADLP CC[C@H](CNC(=O)CCc1[nH+]ccn1C)[NH2+][C@@H](C)C(N)=O ZINC001367115193 895566252 /nfs/dbraw/zinc/56/62/52/895566252.db2.gz GKWLTWVMWHSEST-WDEREUQCSA-N 2 2 295.387 -0.289 20 0 CBADLP CC[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CC(=O)N1CCC1 ZINC001367125437 895571906 /nfs/dbraw/zinc/57/19/06/895571906.db2.gz LPESJLNULINKLH-LLVKDONJSA-N 2 2 293.371 -0.331 20 0 CBADLP CNC(=O)C[NH2+]C[C@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001367266320 895598826 /nfs/dbraw/zinc/59/88/26/895598826.db2.gz NFXWDKRWKPLEIO-NSHDSACASA-N 2 2 281.360 -0.639 20 0 CBADLP CCNC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001367524641 895652693 /nfs/dbraw/zinc/65/26/93/895652693.db2.gz QXFNGPWUHQUXGE-ZDUSSCGKSA-N 2 2 298.431 -0.003 20 0 CBADLP CCNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001367524641 895652697 /nfs/dbraw/zinc/65/26/97/895652697.db2.gz QXFNGPWUHQUXGE-ZDUSSCGKSA-N 2 2 298.431 -0.003 20 0 CBADLP CCNC(=O)C[NH+](C)CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001367524641 895652699 /nfs/dbraw/zinc/65/26/99/895652699.db2.gz QXFNGPWUHQUXGE-ZDUSSCGKSA-N 2 2 298.431 -0.003 20 0 CBADLP CCNC(=O)C[NH+](C)CCN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001367524641 895652702 /nfs/dbraw/zinc/65/27/02/895652702.db2.gz QXFNGPWUHQUXGE-ZDUSSCGKSA-N 2 2 298.431 -0.003 20 0 CBADLP CN(CC[N@H+](C)CCO)C(=O)c1cc(C[NH+](C)C)on1 ZINC001367517035 895654234 /nfs/dbraw/zinc/65/42/34/895654234.db2.gz CXXIGFVMZLLNGT-UHFFFAOYSA-N 2 2 284.360 -0.268 20 0 CBADLP CN(CC[N@@H+](C)CCO)C(=O)c1cc(C[NH+](C)C)on1 ZINC001367517035 895654241 /nfs/dbraw/zinc/65/42/41/895654241.db2.gz CXXIGFVMZLLNGT-UHFFFAOYSA-N 2 2 284.360 -0.268 20 0 CBADLP Cc1nonc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001367579775 895678059 /nfs/dbraw/zinc/67/80/59/895678059.db2.gz LLJOYBWHDXVXHL-PWSUYJOCSA-N 2 2 297.359 -0.961 20 0 CBADLP Cc1nonc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001367579775 895678067 /nfs/dbraw/zinc/67/80/67/895678067.db2.gz LLJOYBWHDXVXHL-PWSUYJOCSA-N 2 2 297.359 -0.961 20 0 CBADLP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](O)C[NH2+]Cc1cnon1 ZINC001367595088 895691502 /nfs/dbraw/zinc/69/15/02/895691502.db2.gz UIACSJBDPRSUER-NEPJUHHUSA-N 2 2 297.359 -0.879 20 0 CBADLP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H](O)C[NH2+]Cc1cnon1 ZINC001367595088 895691511 /nfs/dbraw/zinc/69/15/11/895691511.db2.gz UIACSJBDPRSUER-NEPJUHHUSA-N 2 2 297.359 -0.879 20 0 CBADLP CC(C)[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001367603100 895693206 /nfs/dbraw/zinc/69/32/06/895693206.db2.gz TYMGXSDGQPBBIU-WCQYABFASA-N 2 2 280.372 -0.079 20 0 CBADLP C[C@H](C[NH2+][C@@H]1CCNC1=O)NC(=O)CCc1[nH+]ccn1C ZINC001367687954 895746633 /nfs/dbraw/zinc/74/66/33/895746633.db2.gz JVWGLDNSJKQXOT-GHMZBOCLSA-N 2 2 293.371 -0.665 20 0 CBADLP CC[C@H]([NH2+]CCN(CC)C(=O)Cc1c[nH+]cn1C)C(N)=O ZINC001367691082 895749418 /nfs/dbraw/zinc/74/94/18/895749418.db2.gz POPKFBFQUFYHBN-LBPRGKRZSA-N 2 2 295.387 -0.335 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)C[NH2+][C@@H]1CCN(C)C1=O ZINC001367712409 895758929 /nfs/dbraw/zinc/75/89/29/895758929.db2.gz QKRNHSDHYMPRNI-MWLCHTKSSA-N 2 2 293.371 -0.414 20 0 CBADLP C[C@@H](C[NH2+]Cc1ccn(C)n1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001367729085 895774953 /nfs/dbraw/zinc/77/49/53/895774953.db2.gz LPOZZKSUAVNUFU-WCQYABFASA-N 2 2 295.387 -0.655 20 0 CBADLP C[C@@H](C[NH2+]Cc1ccn(C)n1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001367729085 895774963 /nfs/dbraw/zinc/77/49/63/895774963.db2.gz LPOZZKSUAVNUFU-WCQYABFASA-N 2 2 295.387 -0.655 20 0 CBADLP C[C@@H](C[NH2+]Cc1cnn(C)c1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001367729222 895777703 /nfs/dbraw/zinc/77/77/03/895777703.db2.gz MFXZGPJTLAFJMI-WCQYABFASA-N 2 2 295.387 -0.655 20 0 CBADLP C[C@@H](C[NH2+]Cc1cnn(C)c1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001367729222 895777729 /nfs/dbraw/zinc/77/77/29/895777729.db2.gz MFXZGPJTLAFJMI-WCQYABFASA-N 2 2 295.387 -0.655 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@@H](C)C[NH2+]Cc1nncn1C ZINC001367772019 895800867 /nfs/dbraw/zinc/80/08/67/895800867.db2.gz OREQAIFFNLFDFZ-JTQLQIEISA-N 2 2 291.359 -0.385 20 0 CBADLP C[C@@H](C[NH2+]Cc1cnn(C)c1)NC(=O)Cn1cc[nH+]c1 ZINC001367773714 895803655 /nfs/dbraw/zinc/80/36/55/895803655.db2.gz MUQCVIBRSQYCMJ-NSHDSACASA-N 2 2 276.344 -0.089 20 0 CBADLP C[C@@H](C[N@H+](C)CCO)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001367815631 895820072 /nfs/dbraw/zinc/82/00/72/895820072.db2.gz RRWMIHGGPLNOAZ-NWDGAFQWSA-N 2 2 280.372 -0.126 20 0 CBADLP C[C@@H](C[N@@H+](C)CCO)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001367815631 895820095 /nfs/dbraw/zinc/82/00/95/895820095.db2.gz RRWMIHGGPLNOAZ-NWDGAFQWSA-N 2 2 280.372 -0.126 20 0 CBADLP CC[C@H](C(N)=O)[N@H+](C)C[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001367820919 895823619 /nfs/dbraw/zinc/82/36/19/895823619.db2.gz OMYULBNUWWYIKS-NWDGAFQWSA-N 2 2 295.387 -0.026 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+](C)C[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001367820919 895823621 /nfs/dbraw/zinc/82/36/21/895823621.db2.gz OMYULBNUWWYIKS-NWDGAFQWSA-N 2 2 295.387 -0.026 20 0 CBADLP NC(=O)C[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001367858345 895833714 /nfs/dbraw/zinc/83/37/14/895833714.db2.gz CNMXADIUULFJFP-PWSUYJOCSA-N 2 2 293.371 -0.298 20 0 CBADLP C[C@@H](C[N@H+](C)[C@@H](C)C(=O)N(C)C)NC(=O)Cn1cc[nH+]c1 ZINC001367871929 895838477 /nfs/dbraw/zinc/83/84/77/895838477.db2.gz UTNNHONDGOFSJX-RYUDHWBXSA-N 2 2 295.387 -0.204 20 0 CBADLP C[C@@H](C[N@@H+](C)[C@@H](C)C(=O)N(C)C)NC(=O)Cn1cc[nH+]c1 ZINC001367871929 895838490 /nfs/dbraw/zinc/83/84/90/895838490.db2.gz UTNNHONDGOFSJX-RYUDHWBXSA-N 2 2 295.387 -0.204 20 0 CBADLP CN(C)C(=O)C[N@@H+]1CC[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001367988815 895881879 /nfs/dbraw/zinc/88/18/79/895881879.db2.gz WUBIPNBPXUWZMT-CHWSQXEVSA-N 2 2 296.415 -0.393 20 0 CBADLP CN(C)C(=O)C[N@H+]1CC[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001367988815 895881881 /nfs/dbraw/zinc/88/18/81/895881881.db2.gz WUBIPNBPXUWZMT-CHWSQXEVSA-N 2 2 296.415 -0.393 20 0 CBADLP CN(C)C(=O)C[NH+]1CC[C@@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001367988815 895881882 /nfs/dbraw/zinc/88/18/82/895881882.db2.gz WUBIPNBPXUWZMT-CHWSQXEVSA-N 2 2 296.415 -0.393 20 0 CBADLP CN(C)C(=O)C[NH+]1CC[C@@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001367988815 895881884 /nfs/dbraw/zinc/88/18/84/895881884.db2.gz WUBIPNBPXUWZMT-CHWSQXEVSA-N 2 2 296.415 -0.393 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]C[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001368108343 895915981 /nfs/dbraw/zinc/91/59/81/895915981.db2.gz PAFIAIWWHGIVQX-CMPLNLGQSA-N 2 2 293.371 -0.333 20 0 CBADLP C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C[NH2+]CC(N)=O ZINC001368351709 895985818 /nfs/dbraw/zinc/98/58/18/895985818.db2.gz MRGIZENKMVFYPW-VHSXEESVSA-N 2 2 279.344 -0.878 20 0 CBADLP CN(C[C@H]1CC[N@@H+]1[C@@H]1CCN(C)C1=O)C(=O)CC[NH+](C)C ZINC001368405485 896004413 /nfs/dbraw/zinc/00/44/13/896004413.db2.gz VZFKETNYAZJLOE-CHWSQXEVSA-N 2 2 296.415 -0.299 20 0 CBADLP CN(C[C@H]1CC[N@H+]1[C@@H]1CCN(C)C1=O)C(=O)CC[NH+](C)C ZINC001368405485 896004427 /nfs/dbraw/zinc/00/44/27/896004427.db2.gz VZFKETNYAZJLOE-CHWSQXEVSA-N 2 2 296.415 -0.299 20 0 CBADLP C[C@@H](O)C[NH2+]C[C@H]1CN(C(=O)CCn2cc[nH+]c2)CCO1 ZINC001368511625 896027954 /nfs/dbraw/zinc/02/79/54/896027954.db2.gz VMDDLUGLWGKMHN-OLZOCXBDSA-N 2 2 296.371 -0.529 20 0 CBADLP CN(C)C(=O)C[N@H+](C)CCCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001368559793 896034636 /nfs/dbraw/zinc/03/46/36/896034636.db2.gz MDABIHAWKSCCMX-UHFFFAOYSA-N 2 2 295.387 -0.179 20 0 CBADLP CN(C)C(=O)C[N@@H+](C)CCCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001368559793 896034651 /nfs/dbraw/zinc/03/46/51/896034651.db2.gz MDABIHAWKSCCMX-UHFFFAOYSA-N 2 2 295.387 -0.179 20 0 CBADLP COCC[NH+]1CCC(CO)(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001368772649 896077497 /nfs/dbraw/zinc/07/74/97/896077497.db2.gz GERUSHBHKYRJSD-UHFFFAOYSA-N 2 2 296.371 -0.527 20 0 CBADLP CCNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001368969560 896123058 /nfs/dbraw/zinc/12/30/58/896123058.db2.gz WBIJTIOGGWGQNR-NSHDSACASA-N 2 2 295.387 -0.236 20 0 CBADLP CCNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001368969560 896123064 /nfs/dbraw/zinc/12/30/64/896123064.db2.gz WBIJTIOGGWGQNR-NSHDSACASA-N 2 2 295.387 -0.236 20 0 CBADLP COC[C@H](O)C[N@H+](C)[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001368985348 896127051 /nfs/dbraw/zinc/12/70/51/896127051.db2.gz SCIQCVBQWJEJTL-ZYHUDNBSSA-N 2 2 284.360 -0.604 20 0 CBADLP COC[C@H](O)C[N@@H+](C)[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001368985348 896127058 /nfs/dbraw/zinc/12/70/58/896127058.db2.gz SCIQCVBQWJEJTL-ZYHUDNBSSA-N 2 2 284.360 -0.604 20 0 CBADLP COC[C@H](O)C[N@H+](C)[C@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001368992948 896130664 /nfs/dbraw/zinc/13/06/64/896130664.db2.gz CTIQFLRLXBCVGZ-ZYHUDNBSSA-N 2 2 298.387 -0.296 20 0 CBADLP COC[C@H](O)C[N@@H+](C)[C@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001368992948 896130670 /nfs/dbraw/zinc/13/06/70/896130670.db2.gz CTIQFLRLXBCVGZ-ZYHUDNBSSA-N 2 2 298.387 -0.296 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@H](C)[NH2+][C@@H](C)C(N)=O ZINC001369304715 896193885 /nfs/dbraw/zinc/19/38/85/896193885.db2.gz YMXWRAHQWIQXNS-WPRPVWTQSA-N 2 2 281.360 -0.429 20 0 CBADLP CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc1cc(C)on1)[NH+](C)C ZINC001369375329 896249218 /nfs/dbraw/zinc/24/92/18/896249218.db2.gz BPODOGMWHHEKHR-STQMWFEESA-N 2 2 298.387 -0.110 20 0 CBADLP CO[C@@H](C)C[NH2+][C@H](CO)CNC(=O)Cc1c[nH+]cn1C ZINC001369380151 896249998 /nfs/dbraw/zinc/24/99/98/896249998.db2.gz KWGKCJJRSXLHER-QWRGUYRKSA-N 2 2 284.360 -0.936 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)NC[C@@H]([NH2+]CCO)C1CC1 ZINC001370265038 896413887 /nfs/dbraw/zinc/41/38/87/896413887.db2.gz PAUCUXHIVPYFSO-CYBMUJFWSA-N 2 2 280.372 -0.171 20 0 CBADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001370541816 896442009 /nfs/dbraw/zinc/44/20/09/896442009.db2.gz PIKRRRBVHFVYLM-GUBZILKMSA-N 2 2 279.344 -0.690 20 0 CBADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001370541816 896442015 /nfs/dbraw/zinc/44/20/15/896442015.db2.gz PIKRRRBVHFVYLM-GUBZILKMSA-N 2 2 279.344 -0.690 20 0 CBADLP COC[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001370712815 896487196 /nfs/dbraw/zinc/48/71/96/896487196.db2.gz PXINGJGIMHZRCT-GRYCIOLGSA-N 2 2 296.371 -0.495 20 0 CBADLP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001371422051 896605157 /nfs/dbraw/zinc/60/51/57/896605157.db2.gz CKYIPTHRXQZGMP-SNVBAGLBSA-N 2 2 298.391 -0.956 20 0 CBADLP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001371422051 896605164 /nfs/dbraw/zinc/60/51/64/896605164.db2.gz CKYIPTHRXQZGMP-SNVBAGLBSA-N 2 2 298.391 -0.956 20 0 CBADLP C[C@H](O)C[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001371641888 896643442 /nfs/dbraw/zinc/64/34/42/896643442.db2.gz ZCVMARKFUDFJBQ-RYUDHWBXSA-N 2 2 280.372 -0.219 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@H](C)CCNC(=O)Cc1c[nH+]cn1C ZINC001371870694 896672942 /nfs/dbraw/zinc/67/29/42/896672942.db2.gz VEPYXIDNPRPHPN-GHMZBOCLSA-N 2 2 295.387 -0.419 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@@H](C)CCNC(=O)Cc1c[nH+]cn1C ZINC001371870697 896674777 /nfs/dbraw/zinc/67/47/77/896674777.db2.gz VEPYXIDNPRPHPN-WDEREUQCSA-N 2 2 295.387 -0.419 20 0 CBADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)CC(=O)NC ZINC001371997733 896702534 /nfs/dbraw/zinc/70/25/34/896702534.db2.gz RRQDXSBZAWPGFW-GFCCVEGCSA-N 2 2 284.404 -0.345 20 0 CBADLP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)CC(=O)NC ZINC001371997733 896702542 /nfs/dbraw/zinc/70/25/42/896702542.db2.gz RRQDXSBZAWPGFW-GFCCVEGCSA-N 2 2 284.404 -0.345 20 0 CBADLP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@H+](C)CC(=O)NC ZINC001371997733 896702546 /nfs/dbraw/zinc/70/25/46/896702546.db2.gz RRQDXSBZAWPGFW-GFCCVEGCSA-N 2 2 284.404 -0.345 20 0 CBADLP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@@H+](C)CC(=O)NC ZINC001371997733 896702550 /nfs/dbraw/zinc/70/25/50/896702550.db2.gz RRQDXSBZAWPGFW-GFCCVEGCSA-N 2 2 284.404 -0.345 20 0 CBADLP CCN(C)C(=O)C[N@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001372008449 896708220 /nfs/dbraw/zinc/70/82/20/896708220.db2.gz JUKJHAVDASGDPT-ZDUSSCGKSA-N 2 2 298.431 -0.003 20 0 CBADLP CCN(C)C(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001372008449 896708229 /nfs/dbraw/zinc/70/82/29/896708229.db2.gz JUKJHAVDASGDPT-ZDUSSCGKSA-N 2 2 298.431 -0.003 20 0 CBADLP CCN(C)C(=O)C[NH+](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001372008449 896708236 /nfs/dbraw/zinc/70/82/36/896708236.db2.gz JUKJHAVDASGDPT-ZDUSSCGKSA-N 2 2 298.431 -0.003 20 0 CBADLP CCN(C)C(=O)C[NH+](C)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001372008449 896708241 /nfs/dbraw/zinc/70/82/41/896708241.db2.gz JUKJHAVDASGDPT-ZDUSSCGKSA-N 2 2 298.431 -0.003 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NCC[N@@H+](C)[C@@H]1CCCNC1=O ZINC001372046786 896716865 /nfs/dbraw/zinc/71/68/65/896716865.db2.gz YKUCYSUYLUVUFQ-GFCCVEGCSA-N 2 2 293.371 -0.482 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NCC[N@H+](C)[C@@H]1CCCNC1=O ZINC001372046786 896716874 /nfs/dbraw/zinc/71/68/74/896716874.db2.gz YKUCYSUYLUVUFQ-GFCCVEGCSA-N 2 2 293.371 -0.482 20 0 CBADLP C[N@H+](CCNC(=O)CC1CC[NH+](C)CC1)CC(N)=O ZINC001372139702 896733891 /nfs/dbraw/zinc/73/38/91/896733891.db2.gz FVPDABOQZPKBOQ-UHFFFAOYSA-N 2 2 270.377 -0.748 20 0 CBADLP C[N@@H+](CCNC(=O)CC1CC[NH+](C)CC1)CC(N)=O ZINC001372139702 896733900 /nfs/dbraw/zinc/73/39/00/896733900.db2.gz FVPDABOQZPKBOQ-UHFFFAOYSA-N 2 2 270.377 -0.748 20 0 CBADLP CC(C)CNC(=O)C[N@H+](C)CCNC(=O)C[NH+]1CCCC1 ZINC001372221768 896747285 /nfs/dbraw/zinc/74/72/85/896747285.db2.gz GJNUZBAYYXFTQY-UHFFFAOYSA-N 2 2 298.431 -0.098 20 0 CBADLP CC(C)CNC(=O)C[N@@H+](C)CCNC(=O)C[NH+]1CCCC1 ZINC001372221768 896747301 /nfs/dbraw/zinc/74/73/01/896747301.db2.gz GJNUZBAYYXFTQY-UHFFFAOYSA-N 2 2 298.431 -0.098 20 0 CBADLP CCN(C)C(=O)C[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001372216470 896749876 /nfs/dbraw/zinc/74/98/76/896749876.db2.gz CGRADVHOYVJXST-GFCCVEGCSA-N 2 2 284.404 -0.536 20 0 CBADLP CCN(C)C(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001372216470 896749879 /nfs/dbraw/zinc/74/98/79/896749879.db2.gz CGRADVHOYVJXST-GFCCVEGCSA-N 2 2 284.404 -0.536 20 0 CBADLP CCN(C)C(=O)C[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001372216470 896749885 /nfs/dbraw/zinc/74/98/85/896749885.db2.gz CGRADVHOYVJXST-GFCCVEGCSA-N 2 2 284.404 -0.536 20 0 CBADLP CCN(C)C(=O)C[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001372216470 896749890 /nfs/dbraw/zinc/74/98/90/896749890.db2.gz CGRADVHOYVJXST-GFCCVEGCSA-N 2 2 284.404 -0.536 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NCC[N@@H+](C)[C@@H]1CCNC1=O ZINC001372225825 896753024 /nfs/dbraw/zinc/75/30/24/896753024.db2.gz WFDNBWUVELZFDW-LLVKDONJSA-N 2 2 279.344 -0.872 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NCC[N@H+](C)[C@@H]1CCNC1=O ZINC001372225825 896753034 /nfs/dbraw/zinc/75/30/34/896753034.db2.gz WFDNBWUVELZFDW-LLVKDONJSA-N 2 2 279.344 -0.872 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC[C@H]1CCC[N@H+]1[C@@H](C)C(N)=O ZINC001372567147 896809448 /nfs/dbraw/zinc/80/94/48/896809448.db2.gz MVLSVDZUJPDSPT-CMPLNLGQSA-N 2 2 293.371 -0.354 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC[C@H]1CCC[N@@H+]1[C@@H](C)C(N)=O ZINC001372567147 896809458 /nfs/dbraw/zinc/80/94/58/896809458.db2.gz MVLSVDZUJPDSPT-CMPLNLGQSA-N 2 2 293.371 -0.354 20 0 CBADLP NC(=O)C[N@@H+]1CC[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001372631622 896829999 /nfs/dbraw/zinc/82/99/99/896829999.db2.gz FUUSQELBHNMEHD-NSHDSACASA-N 2 2 279.344 -0.803 20 0 CBADLP NC(=O)C[N@H+]1CC[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001372631622 896830014 /nfs/dbraw/zinc/83/00/14/896830014.db2.gz FUUSQELBHNMEHD-NSHDSACASA-N 2 2 279.344 -0.803 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001372648304 896831867 /nfs/dbraw/zinc/83/18/67/896831867.db2.gz KCTCPSUMHRITPZ-QWRGUYRKSA-N 2 2 293.371 -0.475 20 0 CBADLP CNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001372648304 896831884 /nfs/dbraw/zinc/83/18/84/896831884.db2.gz KCTCPSUMHRITPZ-QWRGUYRKSA-N 2 2 293.371 -0.475 20 0 CBADLP C[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH+](CC(N)=O)C1CC1 ZINC001372828712 896878191 /nfs/dbraw/zinc/87/81/91/896878191.db2.gz AJFLBPUYAQXKCX-GFCCVEGCSA-N 2 2 282.388 -0.463 20 0 CBADLP C[N@H+]1CCCC[C@@H]1C(=O)NCC[NH+](CC(N)=O)C1CC1 ZINC001372828712 896878200 /nfs/dbraw/zinc/87/82/00/896878200.db2.gz AJFLBPUYAQXKCX-GFCCVEGCSA-N 2 2 282.388 -0.463 20 0 CBADLP C[NH+]1CCCC[C@@H]1C(=O)NCC[N@H+](CC(N)=O)C1CC1 ZINC001372828712 896878212 /nfs/dbraw/zinc/87/82/12/896878212.db2.gz AJFLBPUYAQXKCX-GFCCVEGCSA-N 2 2 282.388 -0.463 20 0 CBADLP C[NH+]1CCCC[C@@H]1C(=O)NCC[N@@H+](CC(N)=O)C1CC1 ZINC001372828712 896878218 /nfs/dbraw/zinc/87/82/18/896878218.db2.gz AJFLBPUYAQXKCX-GFCCVEGCSA-N 2 2 282.388 -0.463 20 0 CBADLP CCNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001373501317 897034463 /nfs/dbraw/zinc/03/44/63/897034463.db2.gz DDUKHMHQZUDZBP-LBPRGKRZSA-N 2 2 282.388 -0.735 20 0 CBADLP CCNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001373501317 897034471 /nfs/dbraw/zinc/03/44/71/897034471.db2.gz DDUKHMHQZUDZBP-LBPRGKRZSA-N 2 2 282.388 -0.735 20 0 CBADLP CN(C)C(=O)C[NH+]1CC(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001373513823 897039145 /nfs/dbraw/zinc/03/91/45/897039145.db2.gz NZCWEHRZBFVBLX-UHFFFAOYSA-N 2 2 296.415 -0.393 20 0 CBADLP C[C@@H]([NH2+]CC1(NC(=O)Cn2cc[nH+]c2)CCCC1)C(N)=O ZINC001373864876 897133388 /nfs/dbraw/zinc/13/33/88/897133388.db2.gz KVOFKTOUTBKTMU-LLVKDONJSA-N 2 2 293.371 -0.225 20 0 CBADLP NC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001373963054 897140128 /nfs/dbraw/zinc/14/01/28/897140128.db2.gz FKMCHGUSAFOWRO-GMTAPVOTSA-N 2 2 291.355 -0.421 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C[NH2+]CC(N)=O ZINC001374071132 897165667 /nfs/dbraw/zinc/16/56/67/897165667.db2.gz KFTHZNOPGPPJAY-HBNTYKKESA-N 2 2 293.371 -0.649 20 0 CBADLP NC(=O)C[NH2+]C1(CNC(=O)Cn2cc[nH+]c2)CCCC1 ZINC001374179668 897182786 /nfs/dbraw/zinc/18/27/86/897182786.db2.gz NUUVAHZXHVDIJT-UHFFFAOYSA-N 2 2 279.344 -0.613 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)Cc1c[nH+]cn1C ZINC001374310991 897210442 /nfs/dbraw/zinc/21/04/42/897210442.db2.gz FXXIHEUEDYZTHR-GHMZBOCLSA-N 2 2 295.387 -0.466 20 0 CBADLP C[C@@H](C[NH2+][C@H]1CCN(C)C1=O)N(C)C(=O)Cn1cc[nH+]c1 ZINC001374330428 897217216 /nfs/dbraw/zinc/21/72/16/897217216.db2.gz MTYAAKWOUURUKM-RYUDHWBXSA-N 2 2 293.371 -0.450 20 0 CBADLP CNC(=O)C[N@H+](C)CCN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001374540335 897255165 /nfs/dbraw/zinc/25/51/65/897255165.db2.gz USMGAEYSKIEKRH-UHFFFAOYSA-N 2 2 298.431 -0.146 20 0 CBADLP CNC(=O)C[N@@H+](C)CCN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001374540335 897255180 /nfs/dbraw/zinc/25/51/80/897255180.db2.gz USMGAEYSKIEKRH-UHFFFAOYSA-N 2 2 298.431 -0.146 20 0 CBADLP C[NH+](C)CCC(=O)NC[C@H](O)C[NH2+]Cc1cnsn1 ZINC001374643534 897325006 /nfs/dbraw/zinc/32/50/06/897325006.db2.gz QMYMFEYUDOXIBG-SNVBAGLBSA-N 2 2 287.389 -0.944 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H](O)C[NH2+]Cc1cccnc1 ZINC001374662208 897333555 /nfs/dbraw/zinc/33/35/55/897333555.db2.gz VANLHTRFTUKARG-LBPRGKRZSA-N 2 2 289.339 -0.386 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@H](O)C[NH2+]C[C@@H]1CCCOC1 ZINC001374676692 897339352 /nfs/dbraw/zinc/33/93/52/897339352.db2.gz MXVAJLGICMTHCU-QWHCGFSZSA-N 2 2 296.371 -0.624 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](O)C[NH2+]C[C@@H]1CCOC1 ZINC001374682639 897341540 /nfs/dbraw/zinc/34/15/40/897341540.db2.gz XVJQWPUWFPAOQQ-NWDGAFQWSA-N 2 2 296.371 -0.636 20 0 CBADLP C[C@H](C[NH2+][C@@H](C)C(=O)N(C)C)NC(=O)Cn1cc[nH+]c1 ZINC001374851798 897412378 /nfs/dbraw/zinc/41/23/78/897412378.db2.gz ILYYYKXHYLNDOJ-MNOVXSKESA-N 2 2 281.360 -0.546 20 0 CBADLP C[C@@H](C[NH2+]Cc1cn(C)nn1)NC(=O)CCn1cc[nH+]c1 ZINC001374921756 897434792 /nfs/dbraw/zinc/43/47/92/897434792.db2.gz QRRVDFIGKOCEIF-NSHDSACASA-N 2 2 291.359 -0.304 20 0 CBADLP C[C@H](C[N@H+](C)Cc1cnnn1C)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001375153005 897486813 /nfs/dbraw/zinc/48/68/13/897486813.db2.gz BOBXIMJKLJOGRN-NEPJUHHUSA-N 2 2 294.403 -0.297 20 0 CBADLP C[C@H](C[N@@H+](C)Cc1cnnn1C)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001375153005 897486821 /nfs/dbraw/zinc/48/68/21/897486821.db2.gz BOBXIMJKLJOGRN-NEPJUHHUSA-N 2 2 294.403 -0.297 20 0 CBADLP C[C@H](C[NH+](C)Cc1cnnn1C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001375153005 897486838 /nfs/dbraw/zinc/48/68/38/897486838.db2.gz BOBXIMJKLJOGRN-NEPJUHHUSA-N 2 2 294.403 -0.297 20 0 CBADLP C[C@H](C[NH+](C)Cc1cnnn1C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001375153005 897486850 /nfs/dbraw/zinc/48/68/50/897486850.db2.gz BOBXIMJKLJOGRN-NEPJUHHUSA-N 2 2 294.403 -0.297 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]C1(CNC(=O)CCn2cc[nH+]c2)CC1 ZINC001375452854 897545684 /nfs/dbraw/zinc/54/56/84/897545684.db2.gz BLYHZYWVDAYRDL-NSHDSACASA-N 2 2 293.371 -0.354 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CCC[NH+](C)C ZINC001375461953 897549283 /nfs/dbraw/zinc/54/92/83/897549283.db2.gz XDORFVDJKGQAJZ-GFCCVEGCSA-N 2 2 284.404 -0.393 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CCC[NH+](C)C ZINC001375461953 897549297 /nfs/dbraw/zinc/54/92/97/897549297.db2.gz XDORFVDJKGQAJZ-GFCCVEGCSA-N 2 2 284.404 -0.393 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001375548058 897562742 /nfs/dbraw/zinc/56/27/42/897562742.db2.gz BQXSYPVORRWPGY-GMTAPVOTSA-N 2 2 293.371 -0.429 20 0 CBADLP C[C@H](O)C[NH+]1CC(N(C)C(=O)CC[NH+]2CCOCC2)C1 ZINC001375715701 897596139 /nfs/dbraw/zinc/59/61/39/897596139.db2.gz LCDKKHKMKHZRKI-LBPRGKRZSA-N 2 2 285.388 -0.768 20 0 CBADLP CC(C)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001376120778 897662060 /nfs/dbraw/zinc/66/20/60/897662060.db2.gz UFQHDUVXHWNAOV-OLZOCXBDSA-N 2 2 296.415 -0.204 20 0 CBADLP CC(C)NC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001376120778 897662074 /nfs/dbraw/zinc/66/20/74/897662074.db2.gz UFQHDUVXHWNAOV-OLZOCXBDSA-N 2 2 296.415 -0.204 20 0 CBADLP CC(C)NC(=O)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001376120778 897662081 /nfs/dbraw/zinc/66/20/81/897662081.db2.gz UFQHDUVXHWNAOV-OLZOCXBDSA-N 2 2 296.415 -0.204 20 0 CBADLP CC(C)NC(=O)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001376120778 897662092 /nfs/dbraw/zinc/66/20/92/897662092.db2.gz UFQHDUVXHWNAOV-OLZOCXBDSA-N 2 2 296.415 -0.204 20 0 CBADLP C[C@@H](O)C[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001376159204 897675132 /nfs/dbraw/zinc/67/51/32/897675132.db2.gz SECZSTIMBBKDQL-VXGBXAGGSA-N 2 2 280.372 -0.076 20 0 CBADLP C[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001376159204 897675142 /nfs/dbraw/zinc/67/51/42/897675142.db2.gz SECZSTIMBBKDQL-VXGBXAGGSA-N 2 2 280.372 -0.076 20 0 CBADLP COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001376150960 897677259 /nfs/dbraw/zinc/67/72/59/897677259.db2.gz VSXQJNSUNYFCPV-STQMWFEESA-N 2 2 296.371 -0.529 20 0 CBADLP NC(=O)C[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001376169949 897678997 /nfs/dbraw/zinc/67/89/97/897678997.db2.gz YPTMANCGINFKJP-ZDUSSCGKSA-N 2 2 296.415 -0.072 20 0 CBADLP NC(=O)C[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001376169949 897678999 /nfs/dbraw/zinc/67/89/99/897678999.db2.gz YPTMANCGINFKJP-ZDUSSCGKSA-N 2 2 296.415 -0.072 20 0 CBADLP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001376407810 897725877 /nfs/dbraw/zinc/72/58/77/897725877.db2.gz VSZVDEZIRZCZQT-XYPYZODXSA-N 2 2 295.391 -0.711 20 0 CBADLP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001376407810 897725890 /nfs/dbraw/zinc/72/58/90/897725890.db2.gz VSZVDEZIRZCZQT-XYPYZODXSA-N 2 2 295.391 -0.711 20 0 CBADLP CN(C)C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001376488718 897757108 /nfs/dbraw/zinc/75/71/08/897757108.db2.gz LTCJCFZLIBKIKH-PHIMTYICSA-N 2 2 293.371 -0.712 20 0 CBADLP C[C@@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]CCn1cncn1 ZINC001376772973 897840247 /nfs/dbraw/zinc/84/02/47/897840247.db2.gz GGTHNQXJLCDEDI-LBPRGKRZSA-N 2 2 291.359 -0.341 20 0 CBADLP C[C@@H]([NH2+][C@@H](C)CNC(=O)CCn1cc[nH+]c1)C(=O)N(C)C ZINC001376776597 897842579 /nfs/dbraw/zinc/84/25/79/897842579.db2.gz MCCUTWFDXVFHNG-NWDGAFQWSA-N 2 2 295.387 -0.156 20 0 CBADLP C[C@H](CNC(=O)CCn1cc[nH+]c1)[NH2+][C@H](C)C(=O)N(C)C ZINC001376776607 897842696 /nfs/dbraw/zinc/84/26/96/897842696.db2.gz MCCUTWFDXVFHNG-VXGBXAGGSA-N 2 2 295.387 -0.156 20 0 CBADLP CC[N@H+](C)CCC(=O)N[C@@H]1COC2(C[NH+](CCCO)C2)C1 ZINC001377071814 897925462 /nfs/dbraw/zinc/92/54/62/897925462.db2.gz CMABWVRMJOKJDC-ZDUSSCGKSA-N 2 2 299.415 -0.330 20 0 CBADLP CC[N@@H+](C)CCC(=O)N[C@@H]1COC2(C[NH+](CCCO)C2)C1 ZINC001377071814 897925476 /nfs/dbraw/zinc/92/54/76/897925476.db2.gz CMABWVRMJOKJDC-ZDUSSCGKSA-N 2 2 299.415 -0.330 20 0 CBADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)CC(N)=O ZINC001377149247 897952912 /nfs/dbraw/zinc/95/29/12/897952912.db2.gz FELGONMEUGWIHX-LLVKDONJSA-N 2 2 270.377 -0.608 20 0 CBADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)CC(N)=O ZINC001377149247 897952923 /nfs/dbraw/zinc/95/29/23/897952923.db2.gz FELGONMEUGWIHX-LLVKDONJSA-N 2 2 270.377 -0.608 20 0 CBADLP CC(C)[NH+]1CCC[C@@H]1C(=O)NCC[N@H+](C)CC(N)=O ZINC001377149247 897952936 /nfs/dbraw/zinc/95/29/36/897952936.db2.gz FELGONMEUGWIHX-LLVKDONJSA-N 2 2 270.377 -0.608 20 0 CBADLP CC(C)[NH+]1CCC[C@@H]1C(=O)NCC[N@@H+](C)CC(N)=O ZINC001377149247 897952945 /nfs/dbraw/zinc/95/29/45/897952945.db2.gz FELGONMEUGWIHX-LLVKDONJSA-N 2 2 270.377 -0.608 20 0 CBADLP CC[N@H+](CCNC(=O)Cn1cc[nH+]c1)[C@H]1CCCNC1=O ZINC001377387148 898032874 /nfs/dbraw/zinc/03/28/74/898032874.db2.gz XNCRPZKAKLZSMQ-LBPRGKRZSA-N 2 2 293.371 -0.400 20 0 CBADLP CC[N@@H+](CCNC(=O)Cn1cc[nH+]c1)[C@H]1CCCNC1=O ZINC001377387148 898032879 /nfs/dbraw/zinc/03/28/79/898032879.db2.gz XNCRPZKAKLZSMQ-LBPRGKRZSA-N 2 2 293.371 -0.400 20 0 CBADLP COC[C@H](O)C[N@@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001377474355 898057406 /nfs/dbraw/zinc/05/74/06/898057406.db2.gz IEUMBKMAQBOLNA-QWHCGFSZSA-N 2 2 296.371 -0.672 20 0 CBADLP COC[C@H](O)C[N@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001377474355 898057422 /nfs/dbraw/zinc/05/74/22/898057422.db2.gz IEUMBKMAQBOLNA-QWHCGFSZSA-N 2 2 296.371 -0.672 20 0 CBADLP COC[C@H](O)C[N@@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001377474352 898058089 /nfs/dbraw/zinc/05/80/89/898058089.db2.gz IEUMBKMAQBOLNA-CHWSQXEVSA-N 2 2 296.371 -0.672 20 0 CBADLP COC[C@H](O)C[N@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001377474352 898058098 /nfs/dbraw/zinc/05/80/98/898058098.db2.gz IEUMBKMAQBOLNA-CHWSQXEVSA-N 2 2 296.371 -0.672 20 0 CBADLP NC(=O)C[N@@H+]1CC[C@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001377717641 898122263 /nfs/dbraw/zinc/12/22/63/898122263.db2.gz MPDNWWAHZIEOCC-JTQLQIEISA-N 2 2 279.344 -0.734 20 0 CBADLP NC(=O)C[N@H+]1CC[C@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001377717641 898122272 /nfs/dbraw/zinc/12/22/72/898122272.db2.gz MPDNWWAHZIEOCC-JTQLQIEISA-N 2 2 279.344 -0.734 20 0 CBADLP C[C@@H](O)C[NH2+]CC1CC(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001377737141 898123548 /nfs/dbraw/zinc/12/35/48/898123548.db2.gz SOTTUSYMJQPSHM-VOMCLLRMSA-N 2 2 280.372 -0.172 20 0 CBADLP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@@H](C)[NH2+]Cc1nncn1C ZINC001377912555 898168979 /nfs/dbraw/zinc/16/89/79/898168979.db2.gz WSQCNTPUASJORC-GHMZBOCLSA-N 2 2 291.359 -0.305 20 0 CBADLP CC[N@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[NH+]2[C@H]1CCNC1=O ZINC001378043008 898208138 /nfs/dbraw/zinc/20/81/38/898208138.db2.gz BIJDLLWIHNTIKP-AVGNSLFASA-N 2 2 294.399 -0.498 20 0 CBADLP CC[N@@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[NH+]2[C@H]1CCNC1=O ZINC001378043008 898208152 /nfs/dbraw/zinc/20/81/52/898208152.db2.gz BIJDLLWIHNTIKP-AVGNSLFASA-N 2 2 294.399 -0.498 20 0 CBADLP CC[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H]1CCNC1=O ZINC001378043008 898208159 /nfs/dbraw/zinc/20/81/59/898208159.db2.gz BIJDLLWIHNTIKP-AVGNSLFASA-N 2 2 294.399 -0.498 20 0 CBADLP CC[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CCNC1=O ZINC001378043008 898208176 /nfs/dbraw/zinc/20/81/76/898208176.db2.gz BIJDLLWIHNTIKP-AVGNSLFASA-N 2 2 294.399 -0.498 20 0 CBADLP CC[C@@H](C(=O)N[C@@H]1CC[N@H+](CC(=O)NC)C1)[NH+](C)C ZINC001378130165 898248351 /nfs/dbraw/zinc/24/83/51/898248351.db2.gz OHTKIGUGTSKPLO-MNOVXSKESA-N 2 2 270.377 -0.737 20 0 CBADLP CC[C@@H](C(=O)N[C@@H]1CC[N@@H+](CC(=O)NC)C1)[NH+](C)C ZINC001378130165 898248366 /nfs/dbraw/zinc/24/83/66/898248366.db2.gz OHTKIGUGTSKPLO-MNOVXSKESA-N 2 2 270.377 -0.737 20 0 CBADLP CC[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](CC(=O)NC)C1)[NH+](C)C ZINC001378167394 898261611 /nfs/dbraw/zinc/26/16/11/898261611.db2.gz HDPPZSCYFURDLJ-NEPJUHHUSA-N 2 2 284.404 -0.395 20 0 CBADLP CC[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](CC(=O)NC)C1)[NH+](C)C ZINC001378167394 898261631 /nfs/dbraw/zinc/26/16/31/898261631.db2.gz HDPPZSCYFURDLJ-NEPJUHHUSA-N 2 2 284.404 -0.395 20 0 CBADLP COC[C@H](C)[NH+]1CC(CCO)(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001378274589 898298686 /nfs/dbraw/zinc/29/86/86/898298686.db2.gz LBJOVDCMGIIBJV-STQMWFEESA-N 2 2 299.415 -0.332 20 0 CBADLP COC[C@H](C)[NH+]1CC(CCO)(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001378274589 898298699 /nfs/dbraw/zinc/29/86/99/898298699.db2.gz LBJOVDCMGIIBJV-STQMWFEESA-N 2 2 299.415 -0.332 20 0 CBADLP CN(C)C(=O)C[NH2+]C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001378524080 898345542 /nfs/dbraw/zinc/34/55/42/898345542.db2.gz QWZNBAVASVFBOG-GFCCVEGCSA-N 2 2 293.371 -0.448 20 0 CBADLP C[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1C[NH+](CC(N)=O)C1 ZINC001378589001 898359277 /nfs/dbraw/zinc/35/92/77/898359277.db2.gz VVTIBDSYZNACSK-QWRGUYRKSA-N 2 2 282.388 -0.750 20 0 CBADLP C[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1C[NH+](CC(N)=O)C1 ZINC001378589001 898359290 /nfs/dbraw/zinc/35/92/90/898359290.db2.gz VVTIBDSYZNACSK-QWRGUYRKSA-N 2 2 282.388 -0.750 20 0 CBADLP COC[C@@H](O)C[NH+]1CC([C@@H](C)NC(=O)Cn2cc[nH+]c2)C1 ZINC001378597279 898362952 /nfs/dbraw/zinc/36/29/52/898362952.db2.gz VDXQSNKBDSHEPI-YPMHNXCESA-N 2 2 296.371 -0.673 20 0 CBADLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CC(N)=O)CC1(C)C)[NH+](C)C ZINC001378638752 898372054 /nfs/dbraw/zinc/37/20/54/898372054.db2.gz DDSRNTMBGMROFS-YPMHNXCESA-N 2 2 298.431 -0.116 20 0 CBADLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(N)=O)CC1(C)C)[NH+](C)C ZINC001378638752 898372061 /nfs/dbraw/zinc/37/20/61/898372061.db2.gz DDSRNTMBGMROFS-YPMHNXCESA-N 2 2 298.431 -0.116 20 0 CBADLP C[C@H](CNC(=O)CCC[NH+](C)C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001454722705 914250286 /nfs/dbraw/zinc/25/02/86/914250286.db2.gz RAIFGQKMOLYCRY-LLVKDONJSA-N 2 2 295.387 -0.085 20 0 CBADLP CC(C)[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CC(=O)N(C)C ZINC001379012215 898444499 /nfs/dbraw/zinc/44/44/99/898444499.db2.gz UUEKJADLRMYHBV-NSHDSACASA-N 2 2 295.387 -0.229 20 0 CBADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH+](C)CC(N)=O ZINC001379057147 898455378 /nfs/dbraw/zinc/45/53/78/898455378.db2.gz VRZJYIPQZRNERG-GFCCVEGCSA-N 2 2 284.404 -0.264 20 0 CBADLP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CC[NH+](C)CC(N)=O ZINC001379057147 898455388 /nfs/dbraw/zinc/45/53/88/898455388.db2.gz VRZJYIPQZRNERG-GFCCVEGCSA-N 2 2 284.404 -0.264 20 0 CBADLP CCC[NH+]1CCC[C@@H]1C(=O)N(C)CC[N@H+](C)CC(N)=O ZINC001379057147 898455392 /nfs/dbraw/zinc/45/53/92/898455392.db2.gz VRZJYIPQZRNERG-GFCCVEGCSA-N 2 2 284.404 -0.264 20 0 CBADLP CCC[NH+]1CCC[C@@H]1C(=O)N(C)CC[N@@H+](C)CC(N)=O ZINC001379057147 898455397 /nfs/dbraw/zinc/45/53/97/898455397.db2.gz VRZJYIPQZRNERG-GFCCVEGCSA-N 2 2 284.404 -0.264 20 0 CBADLP CC(C)[NH2+]C[C@H](O)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001379203340 898505466 /nfs/dbraw/zinc/50/54/66/898505466.db2.gz AKTKPPKGHVACDO-RYUDHWBXSA-N 2 2 280.372 -0.079 20 0 CBADLP C[C@H](CN(C)C(=O)Cc1c[nH+]cn1C)[NH2+]CC(=O)N(C)C ZINC001379270662 898533465 /nfs/dbraw/zinc/53/34/65/898533465.db2.gz BTWPJLLNIQLPIU-LLVKDONJSA-N 2 2 295.387 -0.513 20 0 CBADLP C[C@H](C[NH2+]CC(=O)N(C)C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001379382665 898591589 /nfs/dbraw/zinc/59/15/89/898591589.db2.gz ARWXZDOABPZVFY-GMTAPVOTSA-N 2 2 293.371 -0.304 20 0 CBADLP CN(C(=O)Cn1cc[nH+]c1)C1CN(C(=O)CC[NH+](C)C)C1 ZINC001379379695 898592373 /nfs/dbraw/zinc/59/23/73/898592373.db2.gz VDEWGJZMZFKRKX-UHFFFAOYSA-N 2 2 293.371 -0.496 20 0 CBADLP C[C@H](C[NH2+][C@@H]1CCN(C)C1=O)NC(=O)Cn1cc[nH+]c1 ZINC001379483816 898631492 /nfs/dbraw/zinc/63/14/92/898631492.db2.gz WLEIJKLSRYFEKQ-GHMZBOCLSA-N 2 2 279.344 -0.792 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[NH2+]Cc1cnn(C)n1 ZINC001379529943 898658409 /nfs/dbraw/zinc/65/84/09/898658409.db2.gz CKJQEYFZZZBALJ-JTQLQIEISA-N 2 2 291.359 -0.385 20 0 CBADLP CNC(=O)C[N@H+](C)C[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001379697762 898703311 /nfs/dbraw/zinc/70/33/11/898703311.db2.gz BXCPCOLAVQMGHN-JTQLQIEISA-N 2 2 281.360 -0.626 20 0 CBADLP CNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001379697762 898703319 /nfs/dbraw/zinc/70/33/19/898703319.db2.gz BXCPCOLAVQMGHN-JTQLQIEISA-N 2 2 281.360 -0.626 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001379789542 898731196 /nfs/dbraw/zinc/73/11/96/898731196.db2.gz NEMRWJFYXRKEOE-PWSUYJOCSA-N 2 2 295.387 -0.108 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001379789542 898731203 /nfs/dbraw/zinc/73/12/03/898731203.db2.gz NEMRWJFYXRKEOE-PWSUYJOCSA-N 2 2 295.387 -0.108 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001379792895 898732187 /nfs/dbraw/zinc/73/21/87/898732187.db2.gz SZDYPFNLWQOZFE-GHMZBOCLSA-N 2 2 295.387 -0.237 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001379792895 898732201 /nfs/dbraw/zinc/73/22/01/898732201.db2.gz SZDYPFNLWQOZFE-GHMZBOCLSA-N 2 2 295.387 -0.237 20 0 CBADLP NC(=O)C[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC001379802574 898736837 /nfs/dbraw/zinc/73/68/37/898736837.db2.gz GLTDUNVOYSDLQY-NEPJUHHUSA-N 2 2 293.371 -0.367 20 0 CBADLP CN1CC[C@@H]([N@@H+]2CC[C@@H]2CNC(=O)CC[NH+](C)C)C1=O ZINC001380013087 898787372 /nfs/dbraw/zinc/78/73/72/898787372.db2.gz LUSOTMBFCLFHCY-VXGBXAGGSA-N 2 2 282.388 -0.641 20 0 CBADLP CN1CC[C@@H]([N@H+]2CC[C@@H]2CNC(=O)CC[NH+](C)C)C1=O ZINC001380013087 898787381 /nfs/dbraw/zinc/78/73/81/898787381.db2.gz LUSOTMBFCLFHCY-VXGBXAGGSA-N 2 2 282.388 -0.641 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001380005424 898787622 /nfs/dbraw/zinc/78/76/22/898787622.db2.gz ATYRLMNSLHREFX-VXGBXAGGSA-N 2 2 296.415 -0.347 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+]1CC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001380005424 898787636 /nfs/dbraw/zinc/78/76/36/898787636.db2.gz ATYRLMNSLHREFX-VXGBXAGGSA-N 2 2 296.415 -0.347 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]C1(CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001380152279 898823058 /nfs/dbraw/zinc/82/30/58/898823058.db2.gz NBFQNXLDTLSWRE-VIFPVBQESA-N 2 2 279.344 -0.675 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NCC1([NH2+][C@@H]2CCCNC2=O)CC1 ZINC001380171407 898824924 /nfs/dbraw/zinc/82/49/24/898824924.db2.gz JTKOGHJHEUQJIN-LLVKDONJSA-N 2 2 291.355 -0.531 20 0 CBADLP CCNC(=O)C[NH2+]C1CC(N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001380184206 898831357 /nfs/dbraw/zinc/83/13/57/898831357.db2.gz XDKRUDUEMUXEFP-UHFFFAOYSA-N 2 2 293.371 -0.402 20 0 CBADLP CNC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@@H](C)C1 ZINC001380267153 898847174 /nfs/dbraw/zinc/84/71/74/898847174.db2.gz LAEAGVNWJQBEJA-QWRGUYRKSA-N 2 2 293.371 -0.333 20 0 CBADLP CCC[NH+]1CC(O)(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001380630177 898925218 /nfs/dbraw/zinc/92/52/18/898925218.db2.gz WCBPGMDNXSFOMI-UHFFFAOYSA-N 2 2 285.388 -0.718 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]CC(N)=O)C1 ZINC001380661508 898931599 /nfs/dbraw/zinc/93/15/99/898931599.db2.gz CRDNQKRCWNOAIG-MWLCHTKSSA-N 2 2 293.371 -0.427 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N[C@H]1COC2(C[NH+](C[C@@H](C)O)C2)C1 ZINC001381017880 898984814 /nfs/dbraw/zinc/98/48/14/898984814.db2.gz XYUAVQATFLPDOA-CHWSQXEVSA-N 2 2 299.415 -0.333 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N[C@H]1COC2(C[NH+](C[C@@H](C)O)C2)C1 ZINC001381017880 898984823 /nfs/dbraw/zinc/98/48/23/898984823.db2.gz XYUAVQATFLPDOA-CHWSQXEVSA-N 2 2 299.415 -0.333 20 0 CBADLP C[C@@H](CCNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CC(=O)NC1CC1 ZINC001381218524 899011880 /nfs/dbraw/zinc/01/18/80/899011880.db2.gz HMSPVQGQKRNQQZ-JTQLQIEISA-N 2 2 293.371 -0.285 20 0 CBADLP C[C@@H](CCNC(=O)[C@H]1CCc2c[nH+]cn2C1)[NH2+]CCO ZINC001381206132 899012569 /nfs/dbraw/zinc/01/25/69/899012569.db2.gz WCTAGZRVUMBDDR-RYUDHWBXSA-N 2 2 280.372 -0.078 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@@H](C)CCNC(=O)Cn1cc[nH+]c1 ZINC001381239419 899016232 /nfs/dbraw/zinc/01/62/32/899016232.db2.gz PJYABXUMHRKITD-QWRGUYRKSA-N 2 2 281.360 -0.498 20 0 CBADLP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)[NH2+]Cc1cnn(C)n1 ZINC001381449275 899056302 /nfs/dbraw/zinc/05/63/02/899056302.db2.gz OMKVWBOVGOCEHV-WDEREUQCSA-N 2 2 291.359 -0.305 20 0 CBADLP CC[NH+]1CC(CCO)(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001381653698 899104395 /nfs/dbraw/zinc/10/43/95/899104395.db2.gz CJGLVWCVEKCLGH-ZDUSSCGKSA-N 2 2 281.400 -0.099 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001381804890 899115738 /nfs/dbraw/zinc/11/57/38/899115738.db2.gz SYNOZNUIDWWEBL-QWRGUYRKSA-N 2 2 293.371 -0.498 20 0 CBADLP CC[C@H](C(=O)N[C@@H](C)C1C[NH+](CC(=O)NC)C1)[NH+](C)C ZINC001381801923 899115878 /nfs/dbraw/zinc/11/58/78/899115878.db2.gz BBKVIGVWCONTEQ-CMPLNLGQSA-N 2 2 284.404 -0.491 20 0 CBADLP COC[C@@H](O)C[NH+]1CC([C@H](C)NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001381816154 899118001 /nfs/dbraw/zinc/11/80/01/899118001.db2.gz RZMZFQCEAVVTNF-JQWIXIFHSA-N 2 2 296.371 -0.604 20 0 CBADLP COC[C@@H](O)C[NH+]1CC([C@@H](C)NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001381816157 899118964 /nfs/dbraw/zinc/11/89/64/899118964.db2.gz RZMZFQCEAVVTNF-PWSUYJOCSA-N 2 2 296.371 -0.604 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1[C@H]2C[N@H+](C[C@H](C)O)C[C@H]21 ZINC001381913445 899128505 /nfs/dbraw/zinc/12/85/05/899128505.db2.gz DDEQLOXCYCCCHB-XYJRDEOASA-N 2 2 292.383 -0.065 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1[C@H]2C[N@@H+](C[C@H](C)O)C[C@H]21 ZINC001381913445 899128511 /nfs/dbraw/zinc/12/85/11/899128511.db2.gz DDEQLOXCYCCCHB-XYJRDEOASA-N 2 2 292.383 -0.065 20 0 CBADLP O=C(NC[C@H](CO)[NH2+]CCO)c1cc2c[nH+]ccc2[nH]1 ZINC001382208647 899194440 /nfs/dbraw/zinc/19/44/40/899194440.db2.gz GOTCNIGKTJIGQS-SNVBAGLBSA-N 2 2 278.312 -0.765 20 0 CBADLP C[NH+](C)CCC(=O)NC[C@H](CO)[NH2+]Cc1nccs1 ZINC001382234431 899203208 /nfs/dbraw/zinc/20/32/08/899203208.db2.gz KAIHGXPRCRCSGD-SNVBAGLBSA-N 2 2 286.401 -0.339 20 0 CBADLP C[C@@H]1[C@H]([NH2+]Cc2nnn(C)n2)CCN1C(=O)CC[NH+](C)C ZINC001382293205 899238336 /nfs/dbraw/zinc/23/83/36/899238336.db2.gz XTHDMQALZJVOMO-GHMZBOCLSA-N 2 2 295.391 -0.759 20 0 CBADLP CN(C[C@@H](O)C[N@H+](C)CCO)C(=O)CCc1[nH+]ccn1C ZINC001382461571 899305914 /nfs/dbraw/zinc/30/59/14/899305914.db2.gz OKMFLVGXIKTIFT-LBPRGKRZSA-N 2 2 298.387 -0.904 20 0 CBADLP CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)CCc1[nH+]ccn1C ZINC001382461571 899305924 /nfs/dbraw/zinc/30/59/24/899305924.db2.gz OKMFLVGXIKTIFT-LBPRGKRZSA-N 2 2 298.387 -0.904 20 0 CBADLP C[C@H]([NH2+]C1CC(N(C)C(=O)CCc2c[nH]c[nH+]2)C1)C(N)=O ZINC001382576053 899331997 /nfs/dbraw/zinc/33/19/97/899331997.db2.gz CXESRPWKGZZKMH-GCVQQVDUSA-N 2 2 293.371 -0.205 20 0 CBADLP C[C@H]([NH2+]C1CC(N(C)C(=O)CCc2c[nH+]c[nH]2)C1)C(N)=O ZINC001382576053 899332012 /nfs/dbraw/zinc/33/20/12/899332012.db2.gz CXESRPWKGZZKMH-GCVQQVDUSA-N 2 2 293.371 -0.205 20 0 CBADLP CC[NH+](CC)CC(=O)N[C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001386438751 899664661 /nfs/dbraw/zinc/66/46/61/899664661.db2.gz GLEPVBNDCCMTEB-NSHDSACASA-N 2 2 295.387 -0.085 20 0 CBADLP C[C@H](CCNC(=O)Cn1cc[nH+]c1)NC(=O)CC[NH+](C)C ZINC001386708157 899695503 /nfs/dbraw/zinc/69/55/03/899695503.db2.gz MZFGUMIXNSIUAR-GFCCVEGCSA-N 2 2 295.387 -0.154 20 0 CBADLP CC(=O)N(C)CC[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001387588842 899793362 /nfs/dbraw/zinc/79/33/62/899793362.db2.gz CIOHEFNRTRGNRE-AWEZNQCLSA-N 2 2 296.415 -0.439 20 0 CBADLP CC(=O)N(C)CC[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001387588842 899793368 /nfs/dbraw/zinc/79/33/68/899793368.db2.gz CIOHEFNRTRGNRE-AWEZNQCLSA-N 2 2 296.415 -0.439 20 0 CBADLP CCC[N@H+](C)CC(=O)NCCN(C)C(=O)Cn1cc[nH+]c1 ZINC001387950165 899852653 /nfs/dbraw/zinc/85/26/53/899852653.db2.gz OMMJVEMQKTUGAV-UHFFFAOYSA-N 2 2 295.387 -0.201 20 0 CBADLP CCC[N@@H+](C)CC(=O)NCCN(C)C(=O)Cn1cc[nH+]c1 ZINC001387950165 899852656 /nfs/dbraw/zinc/85/26/56/899852656.db2.gz OMMJVEMQKTUGAV-UHFFFAOYSA-N 2 2 295.387 -0.201 20 0 CBADLP CC[N@H+](C)CCC(=O)NCCN(C)C(=O)Cn1cc[nH+]c1 ZINC001388095544 899866794 /nfs/dbraw/zinc/86/67/94/899866794.db2.gz REZDYQYCKDWTIB-UHFFFAOYSA-N 2 2 295.387 -0.201 20 0 CBADLP CC[N@@H+](C)CCC(=O)NCCN(C)C(=O)Cn1cc[nH+]c1 ZINC001388095544 899866802 /nfs/dbraw/zinc/86/68/02/899866802.db2.gz REZDYQYCKDWTIB-UHFFFAOYSA-N 2 2 295.387 -0.201 20 0 CBADLP CC[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1)C(N)=O ZINC001388689186 899902465 /nfs/dbraw/zinc/90/24/65/899902465.db2.gz BAPMVIZMRYLYSM-UMNHJUIQSA-N 2 2 293.371 -0.300 20 0 CBADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)NC(=O)CC[NH+](C)C ZINC001389263669 899981156 /nfs/dbraw/zinc/98/11/56/899981156.db2.gz HNWWMVQMMFPTED-LLVKDONJSA-N 2 2 281.360 -0.544 20 0 CBADLP CCCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001389488742 900025194 /nfs/dbraw/zinc/02/51/94/900025194.db2.gz PAWNOCKTJXQPCZ-GFCCVEGCSA-N 2 2 284.404 -0.345 20 0 CBADLP CCCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001389488742 900025202 /nfs/dbraw/zinc/02/52/02/900025202.db2.gz PAWNOCKTJXQPCZ-GFCCVEGCSA-N 2 2 284.404 -0.345 20 0 CBADLP O=C(CC[NH+]1CCOCC1)N[C@@H]1CC[N@@H+](CCF)C1 ZINC001389495650 900030338 /nfs/dbraw/zinc/03/03/38/900030338.db2.gz YCIOSWPKEWKLCI-GFCCVEGCSA-N 2 2 273.352 -0.131 20 0 CBADLP O=C(CC[NH+]1CCOCC1)N[C@@H]1CC[N@H+](CCF)C1 ZINC001389495650 900030348 /nfs/dbraw/zinc/03/03/48/900030348.db2.gz YCIOSWPKEWKLCI-GFCCVEGCSA-N 2 2 273.352 -0.131 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001389874166 900086023 /nfs/dbraw/zinc/08/60/23/900086023.db2.gz OFOCFRHRCRJRSM-MGCOHNPYSA-N 2 2 279.344 -0.925 20 0 CBADLP C[C@@H](CNC(=O)Cc1cn2c([nH+]1)CCCC2)[NH2+]CCO ZINC001390372751 900147626 /nfs/dbraw/zinc/14/76/26/900147626.db2.gz PVEDTEGINDHWMY-NSHDSACASA-N 2 2 280.372 -0.152 20 0 CBADLP CC(C)CNC(=O)C[NH2+][C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001390496940 900177535 /nfs/dbraw/zinc/17/75/35/900177535.db2.gz VJYBQORCYRVBLJ-LLVKDONJSA-N 2 2 295.387 -0.181 20 0 CBADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+][C@H](C)C(=O)N(C)C ZINC001390508788 900179422 /nfs/dbraw/zinc/17/94/22/900179422.db2.gz MRDHJWWBODEDCJ-GHMZBOCLSA-N 2 2 295.387 -0.466 20 0 CBADLP CC[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1)[NH+](C)C ZINC001390508892 900181035 /nfs/dbraw/zinc/18/10/35/900181035.db2.gz NFKYEUKVTSADQW-NXEZZACHSA-N 2 2 298.391 -0.957 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)[NH2+][C@H]1CCNC1=O ZINC001390523987 900182873 /nfs/dbraw/zinc/18/28/73/900182873.db2.gz NEWBPKSGLCTNGO-SCZZXKLOSA-N 2 2 279.344 -0.757 20 0 CBADLP NC(=O)C[NH2+]C[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001390601116 900196372 /nfs/dbraw/zinc/19/63/72/900196372.db2.gz XANHQPPPMKVRPC-GFCCVEGCSA-N 2 2 293.371 -0.413 20 0 CBADLP C[C@@H](CCNC(=O)Cc1c[nH+]cn1C)[NH2+]CC(=O)N(C)C ZINC001390714802 900214569 /nfs/dbraw/zinc/21/45/69/900214569.db2.gz OVQHVNNRIDXBFY-NSHDSACASA-N 2 2 295.387 -0.465 20 0 CBADLP C[C@@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+][C@@H]1CCCNC1=O ZINC001390724919 900216628 /nfs/dbraw/zinc/21/66/28/900216628.db2.gz AERAODVVROXOHL-NWDGAFQWSA-N 2 2 293.371 -0.354 20 0 CBADLP C[NH+](C)CCC(=O)NCC[N@H+](C)CC(=O)N1CCCCC1 ZINC001390808073 900251582 /nfs/dbraw/zinc/25/15/82/900251582.db2.gz DFUOHEPEMKQPPV-UHFFFAOYSA-N 2 2 298.431 -0.001 20 0 CBADLP C[NH+](C)CCC(=O)NCC[N@@H+](C)CC(=O)N1CCCCC1 ZINC001390808073 900251591 /nfs/dbraw/zinc/25/15/91/900251591.db2.gz DFUOHEPEMKQPPV-UHFFFAOYSA-N 2 2 298.431 -0.001 20 0 CBADLP CC[N@H+](CCNC(=O)Cc1c[nH]c[nH+]1)CCn1cncn1 ZINC001390959811 900289249 /nfs/dbraw/zinc/28/92/49/900289249.db2.gz FHDYSMMNESXOAE-UHFFFAOYSA-N 2 2 291.359 -0.318 20 0 CBADLP CC[N@@H+](CCNC(=O)Cc1c[nH]c[nH+]1)CCn1cncn1 ZINC001390959811 900289260 /nfs/dbraw/zinc/28/92/60/900289260.db2.gz FHDYSMMNESXOAE-UHFFFAOYSA-N 2 2 291.359 -0.318 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2[C@@H](C)C(N)=O ZINC001391256908 900348148 /nfs/dbraw/zinc/34/81/48/900348148.db2.gz SYZPDUKFAYLWLZ-RWMBFGLXSA-N 2 2 296.415 -0.124 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2[C@@H](C)C(N)=O ZINC001391256908 900348156 /nfs/dbraw/zinc/34/81/56/900348156.db2.gz SYZPDUKFAYLWLZ-RWMBFGLXSA-N 2 2 296.415 -0.124 20 0 CBADLP CC(C)[NH+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)C(N)=O ZINC001391256908 900348168 /nfs/dbraw/zinc/34/81/68/900348168.db2.gz SYZPDUKFAYLWLZ-RWMBFGLXSA-N 2 2 296.415 -0.124 20 0 CBADLP CC(C)[NH+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(N)=O ZINC001391256908 900348176 /nfs/dbraw/zinc/34/81/76/900348176.db2.gz SYZPDUKFAYLWLZ-RWMBFGLXSA-N 2 2 296.415 -0.124 20 0 CBADLP CCCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001391287259 900350505 /nfs/dbraw/zinc/35/05/05/900350505.db2.gz GEYGKHJHFQDXTE-CHWSQXEVSA-N 2 2 296.415 -0.264 20 0 CBADLP CCCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001391287259 900350523 /nfs/dbraw/zinc/35/05/23/900350523.db2.gz GEYGKHJHFQDXTE-CHWSQXEVSA-N 2 2 296.415 -0.264 20 0 CBADLP CCCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001391287259 900350537 /nfs/dbraw/zinc/35/05/37/900350537.db2.gz GEYGKHJHFQDXTE-CHWSQXEVSA-N 2 2 296.415 -0.264 20 0 CBADLP CCCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001391287259 900350550 /nfs/dbraw/zinc/35/05/50/900350550.db2.gz GEYGKHJHFQDXTE-CHWSQXEVSA-N 2 2 296.415 -0.264 20 0 CBADLP COC[C@@H](O)C[NH+]1CC(NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001391446276 900381666 /nfs/dbraw/zinc/38/16/66/900381666.db2.gz GRZLAJIMEDTCOQ-AAEUAGOBSA-N 2 2 285.388 -0.864 20 0 CBADLP CCC[N@H+](C)CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2[C@@H](C)C(=O)NC ZINC001391536767 900405971 /nfs/dbraw/zinc/40/59/71/900405971.db2.gz NNEBAAJJMHWOOS-AVGNSLFASA-N 2 2 296.415 -0.252 20 0 CBADLP CCC[N@@H+](C)CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2[C@@H](C)C(=O)NC ZINC001391536767 900405985 /nfs/dbraw/zinc/40/59/85/900405985.db2.gz NNEBAAJJMHWOOS-AVGNSLFASA-N 2 2 296.415 -0.252 20 0 CBADLP CCC[NH+](C)CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H](C)C(=O)NC ZINC001391536767 900405997 /nfs/dbraw/zinc/40/59/97/900405997.db2.gz NNEBAAJJMHWOOS-AVGNSLFASA-N 2 2 296.415 -0.252 20 0 CBADLP CCC[NH+](C)CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H](C)C(=O)NC ZINC001391536767 900406007 /nfs/dbraw/zinc/40/60/07/900406007.db2.gz NNEBAAJJMHWOOS-AVGNSLFASA-N 2 2 296.415 -0.252 20 0 CBADLP CC[C@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)[NH2+]CCO ZINC001391710220 900435407 /nfs/dbraw/zinc/43/54/07/900435407.db2.gz WROMYONNLDBUCQ-NWDGAFQWSA-N 2 2 280.372 -0.078 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C[NH2+]Cc1nnn(C)n1 ZINC001391882624 900459773 /nfs/dbraw/zinc/45/97/73/900459773.db2.gz RYZOFMUDNMUIKR-QWRGUYRKSA-N 2 2 295.391 -0.854 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)C[NH2+]Cc1nnn(C)n1 ZINC001391882624 900459774 /nfs/dbraw/zinc/45/97/74/900459774.db2.gz RYZOFMUDNMUIKR-QWRGUYRKSA-N 2 2 295.391 -0.854 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]C[C@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001391894223 900461457 /nfs/dbraw/zinc/46/14/57/900461457.db2.gz OAYXDRKSTVTOAO-QWRGUYRKSA-N 2 2 295.387 -0.181 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]C[C@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001391894223 900461465 /nfs/dbraw/zinc/46/14/65/900461465.db2.gz OAYXDRKSTVTOAO-QWRGUYRKSA-N 2 2 295.387 -0.181 20 0 CBADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)C[NH2+][C@H]1CCNC1=O ZINC001391946359 900469080 /nfs/dbraw/zinc/46/90/80/900469080.db2.gz YVHDHDXDQMTKFB-UWVGGRQHSA-N 2 2 279.344 -0.817 20 0 CBADLP CC(C)NC(=O)C[NH2+]C[C@H](C)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001392112140 900516766 /nfs/dbraw/zinc/51/67/66/900516766.db2.gz WSUXRFPQIGARFO-NSHDSACASA-N 2 2 295.387 -0.087 20 0 CBADLP CN(C)C(=O)C[N@@H+](C)CCN(C)C(=O)C[NH+]1CCCC1 ZINC001392326859 900563408 /nfs/dbraw/zinc/56/34/08/900563408.db2.gz NIBWNDREUGSNHP-UHFFFAOYSA-N 2 2 284.404 -0.439 20 0 CBADLP CNC(=O)C[N@H+](C)CCN(C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001392338209 900567898 /nfs/dbraw/zinc/56/78/98/900567898.db2.gz SOIYQEIAKCEPSN-STQMWFEESA-N 2 2 298.431 -0.005 20 0 CBADLP CNC(=O)C[N@@H+](C)CCN(C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001392338209 900567905 /nfs/dbraw/zinc/56/79/05/900567905.db2.gz SOIYQEIAKCEPSN-STQMWFEESA-N 2 2 298.431 -0.005 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1ccon1 ZINC001392397950 900604108 /nfs/dbraw/zinc/60/41/08/900604108.db2.gz ZFXIQCGTPGDJHV-NWDGAFQWSA-N 2 2 282.344 -0.665 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1ccon1 ZINC001392397950 900604115 /nfs/dbraw/zinc/60/41/15/900604115.db2.gz ZFXIQCGTPGDJHV-NWDGAFQWSA-N 2 2 282.344 -0.665 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H](O)C[NH2+]C[C@H]1CCCOC1 ZINC001392410669 900608397 /nfs/dbraw/zinc/60/83/97/900608397.db2.gz OPJBMVCRXPPOFK-NEPJUHHUSA-N 2 2 296.371 -0.555 20 0 CBADLP O=C(C[NH+]1CCCC1)NC[C@@H](O)C[NH2+]Cc1ncccn1 ZINC001392419573 900611941 /nfs/dbraw/zinc/61/19/41/900611941.db2.gz DRNZTQVUOPHNJX-LBPRGKRZSA-N 2 2 293.371 -0.861 20 0 CBADLP CC[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1nc(C)no1)[NH+](C)C ZINC001392425142 900613808 /nfs/dbraw/zinc/61/38/08/900613808.db2.gz OYSWBWUFMIYBBX-WDEREUQCSA-N 2 2 299.375 -0.715 20 0 CBADLP C[C@H](C[NH2+][C@@H](C)C(=O)N(C)C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001392509522 900641955 /nfs/dbraw/zinc/64/19/55/900641955.db2.gz BSRZWFNXWXMWKG-ZJUUUORDSA-N 2 2 281.360 -0.477 20 0 CBADLP CC[C@H](C(=O)N[C@H](C)C[NH2+]Cc1nc(=O)n(C)[nH]1)[NH+](C)C ZINC001392524379 900647424 /nfs/dbraw/zinc/64/74/24/900647424.db2.gz OTOCBKVSLRHMHJ-NXEZZACHSA-N 2 2 298.391 -0.957 20 0 CBADLP Cc1nnc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)o1 ZINC001392612061 900677941 /nfs/dbraw/zinc/67/79/41/900677941.db2.gz FJABJKTZALXOIS-GXSJLCMTSA-N 2 2 281.360 -0.076 20 0 CBADLP Cc1nnc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)o1 ZINC001392612061 900677952 /nfs/dbraw/zinc/67/79/52/900677952.db2.gz FJABJKTZALXOIS-GXSJLCMTSA-N 2 2 281.360 -0.076 20 0 CBADLP C[C@@H](C[N@H+](C)[C@H]1CCCNC1=O)NC(=O)Cn1cc[nH+]c1 ZINC001392728032 900716397 /nfs/dbraw/zinc/71/63/97/900716397.db2.gz VYWLNZIGZSKLTA-RYUDHWBXSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@@H](C[N@@H+](C)[C@H]1CCCNC1=O)NC(=O)Cn1cc[nH+]c1 ZINC001392728032 900716404 /nfs/dbraw/zinc/71/64/04/900716404.db2.gz VYWLNZIGZSKLTA-RYUDHWBXSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@@H]([NH2+]C[C@H](NC(=O)CCn1cc[nH+]c1)C1CC1)C(N)=O ZINC001392787542 900723344 /nfs/dbraw/zinc/72/33/44/900723344.db2.gz XUWYNRQPIHWGJH-PWSUYJOCSA-N 2 2 293.371 -0.369 20 0 CBADLP CC[N@H+](C)CCC(=O)NC[C@H]1CC[NH+]1[C@H]1CCNC1=O ZINC001392871219 900744261 /nfs/dbraw/zinc/74/42/61/900744261.db2.gz UPWPHOIQCZMQEJ-NEPJUHHUSA-N 2 2 282.388 -0.593 20 0 CBADLP CC[N@@H+](C)CCC(=O)NC[C@H]1CC[NH+]1[C@H]1CCNC1=O ZINC001392871219 900744270 /nfs/dbraw/zinc/74/42/70/900744270.db2.gz UPWPHOIQCZMQEJ-NEPJUHHUSA-N 2 2 282.388 -0.593 20 0 CBADLP CC[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+]1[C@H]1CCNC1=O ZINC001392871219 900744278 /nfs/dbraw/zinc/74/42/78/900744278.db2.gz UPWPHOIQCZMQEJ-NEPJUHHUSA-N 2 2 282.388 -0.593 20 0 CBADLP CC[NH+](C)CCC(=O)NC[C@H]1CC[N@H+]1[C@H]1CCNC1=O ZINC001392871219 900744284 /nfs/dbraw/zinc/74/42/84/900744284.db2.gz UPWPHOIQCZMQEJ-NEPJUHHUSA-N 2 2 282.388 -0.593 20 0 CBADLP C[C@H](O)C[N@@H+]1CC[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001392874423 900749446 /nfs/dbraw/zinc/74/94/46/900749446.db2.gz IRLBKJAGCNQEBC-AAEUAGOBSA-N 2 2 280.372 -0.076 20 0 CBADLP C[C@H](O)C[N@H+]1CC[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001392874423 900749455 /nfs/dbraw/zinc/74/94/55/900749455.db2.gz IRLBKJAGCNQEBC-AAEUAGOBSA-N 2 2 280.372 -0.076 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)NCC1(O)C[NH+](C[C@@H]2CCOC2)C1 ZINC001393304639 900834688 /nfs/dbraw/zinc/83/46/88/900834688.db2.gz QGEYYODKXZUDDN-QWHCGFSZSA-N 2 2 297.399 -0.720 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)NCC1(O)C[NH+](C[C@@H]2CCOC2)C1 ZINC001393304639 900834697 /nfs/dbraw/zinc/83/46/97/900834697.db2.gz QGEYYODKXZUDDN-QWHCGFSZSA-N 2 2 297.399 -0.720 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)NCC1(O)C[NH+](C[C@@H]2CCOC2)C1 ZINC001393304643 900835401 /nfs/dbraw/zinc/83/54/01/900835401.db2.gz QGEYYODKXZUDDN-STQMWFEESA-N 2 2 297.399 -0.720 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)NCC1(O)C[NH+](C[C@@H]2CCOC2)C1 ZINC001393304643 900835406 /nfs/dbraw/zinc/83/54/06/900835406.db2.gz QGEYYODKXZUDDN-STQMWFEESA-N 2 2 297.399 -0.720 20 0 CBADLP COC[C@H](C)[NH+]1CC(O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001393357806 900845364 /nfs/dbraw/zinc/84/53/64/900845364.db2.gz GMOGYJPSDGERRM-LBPRGKRZSA-N 2 2 297.399 -0.720 20 0 CBADLP COC[C@@H](C)[NH+]1CC(O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001393357786 900845523 /nfs/dbraw/zinc/84/55/23/900845523.db2.gz GMOGYJPSDGERRM-GFCCVEGCSA-N 2 2 297.399 -0.720 20 0 CBADLP C[C@H](O)C[NH2+]CC1(O)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001393770153 900903548 /nfs/dbraw/zinc/90/35/48/900903548.db2.gz DNEDBMATIFVPKH-NSHDSACASA-N 2 2 296.371 -0.724 20 0 CBADLP C[C@@H]([NH2+]Cc1nnn(C)n1)[C@H](C)NC(=O)CCC[NH+](C)C ZINC001393966547 900944810 /nfs/dbraw/zinc/94/48/10/900944810.db2.gz QFKVRGDNVIEJHG-MNOVXSKESA-N 2 2 297.407 -0.465 20 0 CBADLP C[C@@H](NC(=O)CCC[NH+](C)C)C1C[NH+](CC(N)=O)C1 ZINC001394247623 901002272 /nfs/dbraw/zinc/00/22/72/901002272.db2.gz INQUOALNRNZEAG-SNVBAGLBSA-N 2 2 270.377 -0.750 20 0 CBADLP CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)Cn2cc[nH+]c2C)C1 ZINC001394247889 901002721 /nfs/dbraw/zinc/00/27/21/901002721.db2.gz BZCJINGSODEWTH-SNVBAGLBSA-N 2 2 293.371 -0.626 20 0 CBADLP CNC(=O)C[NH+]1CC([C@H](C)NC(=O)Cn2cc[nH+]c2C)C1 ZINC001394247888 901003979 /nfs/dbraw/zinc/00/39/79/901003979.db2.gz BZCJINGSODEWTH-JTQLQIEISA-N 2 2 293.371 -0.626 20 0 CBADLP CC(C)[C@@H](CCNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CC(N)=O ZINC001394412087 901023314 /nfs/dbraw/zinc/02/33/14/901023314.db2.gz URTCRPYRHGDCLL-LLVKDONJSA-N 2 2 281.360 -0.442 20 0 CBADLP CNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001394397191 901024598 /nfs/dbraw/zinc/02/45/98/901024598.db2.gz XFXFOUFLEVHWMQ-XYPYZODXSA-N 2 2 293.371 -0.807 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H](CO)[NH2+]C/C=C/Cl ZINC001394646641 901103092 /nfs/dbraw/zinc/10/30/92/901103092.db2.gz QLYSIDBMNOMBOJ-GPYPMJJRSA-N 2 2 272.736 -0.229 20 0 CBADLP C[N@@H+]1CC[C@H](C(=O)NC[C@H](CO)[NH2+]Cc2cscn2)C1 ZINC001394653579 901110273 /nfs/dbraw/zinc/11/02/73/901110273.db2.gz OEIYGHIVJSYBBT-WDEREUQCSA-N 2 2 298.412 -0.339 20 0 CBADLP C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)[NH2+]Cc2cscn2)C1 ZINC001394653579 901110279 /nfs/dbraw/zinc/11/02/79/901110279.db2.gz OEIYGHIVJSYBBT-WDEREUQCSA-N 2 2 298.412 -0.339 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@H](CO)[NH2+]CC1CCOCC1 ZINC001394660289 901111792 /nfs/dbraw/zinc/11/17/92/901111792.db2.gz UPHYSHPCULAPBV-CYBMUJFWSA-N 2 2 296.371 -0.624 20 0 CBADLP C[C@@H]1C[C@H]([NH2+]CC(=O)N(C)C)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001394666138 901116624 /nfs/dbraw/zinc/11/66/24/901116624.db2.gz FSTSXNFNOJLKSJ-MNOVXSKESA-N 2 2 293.371 -0.381 20 0 CBADLP CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001394741733 901135939 /nfs/dbraw/zinc/13/59/39/901135939.db2.gz KBLICYCSWJRIIK-YPMHNXCESA-N 2 2 280.372 -0.126 20 0 CBADLP CO[C@H](C)C[N@H+](C)C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001394786077 901155185 /nfs/dbraw/zinc/15/51/85/901155185.db2.gz CECUZODZIZCRPQ-OLZOCXBDSA-N 2 2 298.387 -0.331 20 0 CBADLP CO[C@H](C)C[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001394786077 901155191 /nfs/dbraw/zinc/15/51/91/901155191.db2.gz CECUZODZIZCRPQ-OLZOCXBDSA-N 2 2 298.387 -0.331 20 0 CBADLP CN(C)C(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)CC[NH+](C)C ZINC001396991055 901352690 /nfs/dbraw/zinc/35/26/90/901352690.db2.gz GUUCANJWDVVTRE-LBPRGKRZSA-N 2 2 284.404 -0.441 20 0 CBADLP CN(C)C(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)CC[NH+](C)C ZINC001396991055 901352700 /nfs/dbraw/zinc/35/27/00/901352700.db2.gz GUUCANJWDVVTRE-LBPRGKRZSA-N 2 2 284.404 -0.441 20 0 CBADLP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CC(N)=O)[C@@H]1C)[NH+](C)C ZINC001397262882 901385124 /nfs/dbraw/zinc/38/51/24/901385124.db2.gz IZGDLGFNXHNBDX-VWYCJHECSA-N 2 2 270.377 -0.609 20 0 CBADLP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](CC(N)=O)[C@@H]1C)[NH+](C)C ZINC001397262882 901385134 /nfs/dbraw/zinc/38/51/34/901385134.db2.gz IZGDLGFNXHNBDX-VWYCJHECSA-N 2 2 270.377 -0.609 20 0 CBADLP CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](CC)[NH+](C)C ZINC001397561472 901430601 /nfs/dbraw/zinc/43/06/01/901430601.db2.gz IGGMMMQUQUNKTG-STQMWFEESA-N 2 2 298.431 -0.005 20 0 CBADLP CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](CC)[NH+](C)C ZINC001397561472 901430611 /nfs/dbraw/zinc/43/06/11/901430611.db2.gz IGGMMMQUQUNKTG-STQMWFEESA-N 2 2 298.431 -0.005 20 0 CBADLP CC[C@@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)N(C)C)[NH+](C)C ZINC001397584913 901436383 /nfs/dbraw/zinc/43/63/83/901436383.db2.gz XGIOGUMBKMLVIO-STQMWFEESA-N 2 2 298.431 -0.053 20 0 CBADLP CC[C@@H](C(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)N(C)C)[NH+](C)C ZINC001397584913 901436390 /nfs/dbraw/zinc/43/63/90/901436390.db2.gz XGIOGUMBKMLVIO-STQMWFEESA-N 2 2 298.431 -0.053 20 0 CBADLP CC[C@@H](C(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)N(C)C)[NH+](C)C ZINC001397584912 901437553 /nfs/dbraw/zinc/43/75/53/901437553.db2.gz XGIOGUMBKMLVIO-OLZOCXBDSA-N 2 2 298.431 -0.053 20 0 CBADLP CC[C@@H](C(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)N(C)C)[NH+](C)C ZINC001397584912 901437562 /nfs/dbraw/zinc/43/75/62/901437562.db2.gz XGIOGUMBKMLVIO-OLZOCXBDSA-N 2 2 298.431 -0.053 20 0 CBADLP C[C@H](O)C[NH2+][C@H]1C[C@@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001397612374 901440110 /nfs/dbraw/zinc/44/01/10/901440110.db2.gz UVPXJPIJPRQZJD-SDDRHHMPSA-N 2 2 280.372 -0.172 20 0 CBADLP COC[C@@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001397679347 901444779 /nfs/dbraw/zinc/44/47/79/901444779.db2.gz DHKILIMESYBSEN-SRVKXCTJSA-N 2 2 296.371 -0.556 20 0 CBADLP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](CC(=O)N(C)C)C1 ZINC001398251736 901511978 /nfs/dbraw/zinc/51/19/78/901511978.db2.gz MZZVQDXKWAKVNR-CYBMUJFWSA-N 2 2 298.431 -0.003 20 0 CBADLP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[NH+](CC(=O)N(C)C)C1 ZINC001398251736 901511985 /nfs/dbraw/zinc/51/19/85/901511985.db2.gz MZZVQDXKWAKVNR-CYBMUJFWSA-N 2 2 298.431 -0.003 20 0 CBADLP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](CC(=O)N(C)C)C1 ZINC001398251736 901511992 /nfs/dbraw/zinc/51/19/92/901511992.db2.gz MZZVQDXKWAKVNR-CYBMUJFWSA-N 2 2 298.431 -0.003 20 0 CBADLP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](CC(=O)N(C)C)C1 ZINC001398251736 901512003 /nfs/dbraw/zinc/51/20/03/901512003.db2.gz MZZVQDXKWAKVNR-CYBMUJFWSA-N 2 2 298.431 -0.003 20 0 CBADLP CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](CC(N)=O)C1)[NH+](C)C ZINC001398340899 901526908 /nfs/dbraw/zinc/52/69/08/901526908.db2.gz TZFCFYKJPDPOKG-CMPLNLGQSA-N 2 2 270.377 -0.752 20 0 CBADLP CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1)[NH+](C)C ZINC001398340899 901526919 /nfs/dbraw/zinc/52/69/19/901526919.db2.gz TZFCFYKJPDPOKG-CMPLNLGQSA-N 2 2 270.377 -0.752 20 0 CBADLP CC[C@H]([NH2+][C@H](CNC(=O)Cc1c[nH]c[nH+]1)C1CC1)C(N)=O ZINC001398440580 901537853 /nfs/dbraw/zinc/53/78/53/901537853.db2.gz LEBZBRXZCXKWOQ-NWDGAFQWSA-N 2 2 293.371 -0.300 20 0 CBADLP C[C@H](O)C[NH2+][C@@H](CNC(=O)Cc1c[nH+]cn1C)C1CC1 ZINC001398451151 901539642 /nfs/dbraw/zinc/53/96/42/901539642.db2.gz VTSHMHKJGRLVTN-GWCFXTLKSA-N 2 2 280.372 -0.172 20 0 CBADLP C[C@H]([NH2+][C@H](CNC(=O)Cc1c[nH+]cn1C)C1CC1)C(N)=O ZINC001398442367 901539712 /nfs/dbraw/zinc/53/97/12/901539712.db2.gz APDCKNNUBGQFKN-JOYOIKCWSA-N 2 2 293.371 -0.679 20 0 CBADLP C[C@H](CC(=O)N[C@@H]1C[C@@H]([NH2+][C@@H](C)C(N)=O)C1)n1cc[nH+]c1 ZINC001398564098 901561975 /nfs/dbraw/zinc/56/19/75/901561975.db2.gz NPQYHENFMZGZMC-WRWGMCAJSA-N 2 2 293.371 -0.055 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001398611707 901576523 /nfs/dbraw/zinc/57/65/23/901576523.db2.gz JILDMZNUKAHIGE-BBBLOLIVSA-N 2 2 279.344 -0.677 20 0 CBADLP C[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001398614636 901576738 /nfs/dbraw/zinc/57/67/38/901576738.db2.gz DTTUVYGZYCOBHK-UTUOFQBUSA-N 2 2 280.372 -0.030 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc2ccon2)C1 ZINC001399166750 901676403 /nfs/dbraw/zinc/67/64/03/901676403.db2.gz WGFRTRNVGLDUAK-DGCLKSJQSA-N 2 2 296.371 -0.010 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc2ccon2)C1 ZINC001399166750 901676410 /nfs/dbraw/zinc/67/64/10/901676410.db2.gz WGFRTRNVGLDUAK-DGCLKSJQSA-N 2 2 296.371 -0.010 20 0 CBADLP CN(C)C(=O)C[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001399239468 901685841 /nfs/dbraw/zinc/68/58/41/901685841.db2.gz GSHRPLUPUCDFEB-LLVKDONJSA-N 2 2 293.371 -0.522 20 0 CBADLP CNC(=O)C[NH2+][C@H](C)CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001399418130 901712160 /nfs/dbraw/zinc/71/21/60/901712160.db2.gz MOZJLXNDZMHQCL-SECBINFHSA-N 2 2 281.360 -0.509 20 0 CBADLP C[C@@H](CCNC(=O)Cc1c[nH+]cn1C)[NH2+][C@@H]1CCNC1=O ZINC001399412196 901712366 /nfs/dbraw/zinc/71/23/66/901712366.db2.gz GOHBIQGVGPBEDG-CMPLNLGQSA-N 2 2 293.371 -0.665 20 0 CBADLP CCNC(=O)C[NH2+][C@H](C)CCNC(=O)Cc1c[nH+]cn1C ZINC001399411439 901713506 /nfs/dbraw/zinc/71/35/06/901713506.db2.gz CVNNUGSSYBFWSJ-LLVKDONJSA-N 2 2 295.387 -0.417 20 0 CBADLP C[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)CC(=O)N1CCCC1 ZINC001399652182 901766018 /nfs/dbraw/zinc/76/60/18/901766018.db2.gz GKGPZVWKFWZKPU-ZDUSSCGKSA-N 2 2 296.415 -0.392 20 0 CBADLP C[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)CC(=O)N1CCCC1 ZINC001399652182 901766030 /nfs/dbraw/zinc/76/60/30/901766030.db2.gz GKGPZVWKFWZKPU-ZDUSSCGKSA-N 2 2 296.415 -0.392 20 0 CBADLP C[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)CC(=O)N1CCCC1 ZINC001399652182 901766040 /nfs/dbraw/zinc/76/60/40/901766040.db2.gz GKGPZVWKFWZKPU-ZDUSSCGKSA-N 2 2 296.415 -0.392 20 0 CBADLP C[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)CC(=O)N1CCCC1 ZINC001399652182 901766048 /nfs/dbraw/zinc/76/60/48/901766048.db2.gz GKGPZVWKFWZKPU-ZDUSSCGKSA-N 2 2 296.415 -0.392 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH+]2CCC(O)CC2)C1 ZINC001468122952 915271853 /nfs/dbraw/zinc/27/18/53/915271853.db2.gz UZUHUPPVRFAQCP-CYBMUJFWSA-N 2 2 285.388 -0.720 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH+]2CCC(O)CC2)C1 ZINC001468122952 915271867 /nfs/dbraw/zinc/27/18/67/915271867.db2.gz UZUHUPPVRFAQCP-CYBMUJFWSA-N 2 2 285.388 -0.720 20 0 CBADLP CC[N@H+](CCNC(=O)Cn1cc[nH+]c1C)[C@@H](C)C(=O)NC ZINC001399823117 901813672 /nfs/dbraw/zinc/81/36/72/901813672.db2.gz KJOIWGXTQHOGJJ-NSHDSACASA-N 2 2 295.387 -0.236 20 0 CBADLP CC[N@@H+](CCNC(=O)Cn1cc[nH+]c1C)[C@@H](C)C(=O)NC ZINC001399823117 901813679 /nfs/dbraw/zinc/81/36/79/901813679.db2.gz KJOIWGXTQHOGJJ-NSHDSACASA-N 2 2 295.387 -0.236 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)NCC[N@H+](CCO)C1CC1 ZINC001400016538 901854674 /nfs/dbraw/zinc/85/46/74/901854674.db2.gz YTOKDRRVVLUFLN-UHFFFAOYSA-N 2 2 280.372 -0.074 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)NCC[N@@H+](CCO)C1CC1 ZINC001400016538 901854681 /nfs/dbraw/zinc/85/46/81/901854681.db2.gz YTOKDRRVVLUFLN-UHFFFAOYSA-N 2 2 280.372 -0.074 20 0 CBADLP CO[C@@H](C)C[NH+]1CC(NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001400448518 901943226 /nfs/dbraw/zinc/94/32/26/901943226.db2.gz JCSHGPAFOBWPMM-OLZOCXBDSA-N 2 2 299.415 -0.210 20 0 CBADLP CCNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001400532402 901964077 /nfs/dbraw/zinc/96/40/77/901964077.db2.gz RIWOIYGVMJHAGT-ZDUSSCGKSA-N 2 2 296.415 -0.345 20 0 CBADLP CCNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001400532402 901964085 /nfs/dbraw/zinc/96/40/85/901964085.db2.gz RIWOIYGVMJHAGT-ZDUSSCGKSA-N 2 2 296.415 -0.345 20 0 CBADLP CC(C)[C@@H](C(=O)NCC1C[NH+](CC(=O)N(C)C)C1)[NH+](C)C ZINC001400550118 901969173 /nfs/dbraw/zinc/96/91/73/901969173.db2.gz WGDOTGYJCCORQJ-AWEZNQCLSA-N 2 2 298.431 -0.291 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001400624523 901983200 /nfs/dbraw/zinc/98/32/00/901983200.db2.gz LUVAMWPKQYPENW-AAEUAGOBSA-N 2 2 284.404 -0.491 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001400624523 901983214 /nfs/dbraw/zinc/98/32/14/901983214.db2.gz LUVAMWPKQYPENW-AAEUAGOBSA-N 2 2 284.404 -0.491 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001400633999 901984978 /nfs/dbraw/zinc/98/49/78/901984978.db2.gz YUNMUDZFGSNCHO-LBPRGKRZSA-N 2 2 298.431 -0.099 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001400633999 901984984 /nfs/dbraw/zinc/98/49/84/901984984.db2.gz YUNMUDZFGSNCHO-LBPRGKRZSA-N 2 2 298.431 -0.099 20 0 CBADLP CNC(=O)C[NH+]1CC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001400633999 901984992 /nfs/dbraw/zinc/98/49/92/901984992.db2.gz YUNMUDZFGSNCHO-LBPRGKRZSA-N 2 2 298.431 -0.099 20 0 CBADLP CNC(=O)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001400633999 901985002 /nfs/dbraw/zinc/98/50/02/901985002.db2.gz YUNMUDZFGSNCHO-LBPRGKRZSA-N 2 2 298.431 -0.099 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001400642811 901985101 /nfs/dbraw/zinc/98/51/01/901985101.db2.gz FLZLCRZTHXWMHH-NSHDSACASA-N 2 2 270.377 -0.737 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001400642811 901985107 /nfs/dbraw/zinc/98/51/07/901985107.db2.gz FLZLCRZTHXWMHH-NSHDSACASA-N 2 2 270.377 -0.737 20 0 CBADLP CNC(=O)C[NH+]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001400642811 901985113 /nfs/dbraw/zinc/98/51/13/901985113.db2.gz FLZLCRZTHXWMHH-NSHDSACASA-N 2 2 270.377 -0.737 20 0 CBADLP CNC(=O)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001400642811 901985119 /nfs/dbraw/zinc/98/51/19/901985119.db2.gz FLZLCRZTHXWMHH-NSHDSACASA-N 2 2 270.377 -0.737 20 0 CBADLP CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001400677707 901996161 /nfs/dbraw/zinc/99/61/61/901996161.db2.gz SOZDYNYRWSZZGY-QWHCGFSZSA-N 2 2 296.415 -0.345 20 0 CBADLP CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001400677707 901996171 /nfs/dbraw/zinc/99/61/71/901996171.db2.gz SOZDYNYRWSZZGY-QWHCGFSZSA-N 2 2 296.415 -0.345 20 0 CBADLP CCNC(=O)C[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001400677707 901996178 /nfs/dbraw/zinc/99/61/78/901996178.db2.gz SOZDYNYRWSZZGY-QWHCGFSZSA-N 2 2 296.415 -0.345 20 0 CBADLP CCNC(=O)C[NH+]1CC[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001400677707 901996190 /nfs/dbraw/zinc/99/61/90/901996190.db2.gz SOZDYNYRWSZZGY-QWHCGFSZSA-N 2 2 296.415 -0.345 20 0 CBADLP CC(C)[C@H](C(=O)N(C)[C@H]1CC[N@H+](CC(N)=O)C1)[NH+](C)C ZINC001400737819 902008509 /nfs/dbraw/zinc/00/85/09/902008509.db2.gz GGVOXYFAVDDLFG-WCQYABFASA-N 2 2 284.404 -0.409 20 0 CBADLP CC(C)[C@H](C(=O)N(C)[C@H]1CC[N@@H+](CC(N)=O)C1)[NH+](C)C ZINC001400737819 902008515 /nfs/dbraw/zinc/00/85/15/902008515.db2.gz GGVOXYFAVDDLFG-WCQYABFASA-N 2 2 284.404 -0.409 20 0 CBADLP CC(C)[C@@H](C(=O)N(C)[C@H]1CC[N@H+](CC(N)=O)C1)[NH+](C)C ZINC001400737805 902008842 /nfs/dbraw/zinc/00/88/42/902008842.db2.gz GGVOXYFAVDDLFG-AAEUAGOBSA-N 2 2 284.404 -0.409 20 0 CBADLP CC(C)[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](CC(N)=O)C1)[NH+](C)C ZINC001400737805 902008851 /nfs/dbraw/zinc/00/88/51/902008851.db2.gz GGVOXYFAVDDLFG-AAEUAGOBSA-N 2 2 284.404 -0.409 20 0 CBADLP CC[C@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+][C@H](C)C(=O)NC ZINC001400810967 902022138 /nfs/dbraw/zinc/02/21/38/902022138.db2.gz YUVDPEZTVISOTJ-GHMZBOCLSA-N 2 2 295.387 -0.039 20 0 CBADLP CC[C@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH2+][C@H](C)C(=O)NC ZINC001400810967 902022146 /nfs/dbraw/zinc/02/21/46/902022146.db2.gz YUVDPEZTVISOTJ-GHMZBOCLSA-N 2 2 295.387 -0.039 20 0 CBADLP CC[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@H]1CCCNC1=O ZINC001400870915 902031891 /nfs/dbraw/zinc/03/18/91/902031891.db2.gz WLBVMLICNJXWAI-QWRGUYRKSA-N 2 2 293.371 -0.285 20 0 CBADLP CC[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+][C@H](C)C(=O)N(C)C ZINC001400913302 902035978 /nfs/dbraw/zinc/03/59/78/902035978.db2.gz GKODSYIFZDAENT-VXGBXAGGSA-N 2 2 295.387 -0.156 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001401149205 902064320 /nfs/dbraw/zinc/06/43/20/902064320.db2.gz WVKAIBJGJRRPNR-VXGBXAGGSA-N 2 2 295.387 -0.078 20 0 CBADLP CC(C)NC(=O)C[NH2+]C[C@@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001401149454 902064827 /nfs/dbraw/zinc/06/48/27/902064827.db2.gz ZHUJLUKUUZIZOF-LLVKDONJSA-N 2 2 295.387 -0.181 20 0 CBADLP CC[C@H](C(=O)NC[C@H]1C[N@H+](CCOC)CCO1)[NH+](C)C ZINC001401173446 902071714 /nfs/dbraw/zinc/07/17/14/902071714.db2.gz XULSVERSQJZXGM-QWHCGFSZSA-N 2 2 287.404 -0.210 20 0 CBADLP CC[C@H](C(=O)NC[C@H]1C[N@@H+](CCOC)CCO1)[NH+](C)C ZINC001401173446 902071720 /nfs/dbraw/zinc/07/17/20/902071720.db2.gz XULSVERSQJZXGM-QWHCGFSZSA-N 2 2 287.404 -0.210 20 0 CBADLP C[C@@H](C[NH2+]CC(=O)NC1CC1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001401265255 902094181 /nfs/dbraw/zinc/09/41/81/902094181.db2.gz CASAMENLVCEBMD-NSHDSACASA-N 2 2 293.371 -0.402 20 0 CBADLP CC[C@H]([NH2+]C[C@H](C)N(C)C(=O)Cc1[nH]cc[nH+]1)C(N)=O ZINC001401261215 902094487 /nfs/dbraw/zinc/09/44/87/902094487.db2.gz YWLNBWXXWKMSFA-UWVGGRQHSA-N 2 2 281.360 -0.347 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC[C@H]([NH2+][C@H](C)C(N)=O)C(C)C ZINC001401348273 902105404 /nfs/dbraw/zinc/10/54/04/902105404.db2.gz CGHYHPAAIKZMBS-PWSUYJOCSA-N 2 2 295.387 -0.204 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]([NH2+]CCO)C(C)C)C1 ZINC001401350028 902105846 /nfs/dbraw/zinc/10/58/46/902105846.db2.gz MLXCZJKPAHIIDO-QWHCGFSZSA-N 2 2 287.404 -0.570 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]([NH2+]CCO)C(C)C)C1 ZINC001401350028 902105859 /nfs/dbraw/zinc/10/58/59/902105859.db2.gz MLXCZJKPAHIIDO-QWHCGFSZSA-N 2 2 287.404 -0.570 20 0 CBADLP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CC[NH+](C)CC(=O)NC ZINC001401371421 902113382 /nfs/dbraw/zinc/11/33/82/902113382.db2.gz MWDCDBDDFYNOMQ-CYBMUJFWSA-N 2 2 298.431 -0.003 20 0 CBADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH+](C)CC(=O)NC ZINC001401371421 902113376 /nfs/dbraw/zinc/11/33/76/902113376.db2.gz MWDCDBDDFYNOMQ-CYBMUJFWSA-N 2 2 298.431 -0.003 20 0 CBADLP CCC[NH+]1CCC[C@@H]1C(=O)N(C)CC[N@H+](C)CC(=O)NC ZINC001401371421 902113394 /nfs/dbraw/zinc/11/33/94/902113394.db2.gz MWDCDBDDFYNOMQ-CYBMUJFWSA-N 2 2 298.431 -0.003 20 0 CBADLP CCC[NH+]1CCC[C@@H]1C(=O)N(C)CC[N@@H+](C)CC(=O)NC ZINC001401371421 902113405 /nfs/dbraw/zinc/11/34/05/902113405.db2.gz MWDCDBDDFYNOMQ-CYBMUJFWSA-N 2 2 298.431 -0.003 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC[C@H](O)C[NH2+]CC1CCC1 ZINC001401575648 902171918 /nfs/dbraw/zinc/17/19/18/902171918.db2.gz FROCWDWPBZDTGU-CYBMUJFWSA-N 2 2 280.372 -0.171 20 0 CBADLP Cc1nocc1C[NH2+]C[C@@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001401573139 902172889 /nfs/dbraw/zinc/17/28/89/902172889.db2.gz LTUHLSNHKAXLPP-GFCCVEGCSA-N 2 2 293.327 -0.484 20 0 CBADLP CC[C@H]([NH2+]CCN(CC)C(=O)Cc1[nH]c[nH+]c1C)C(N)=O ZINC001401595292 902182779 /nfs/dbraw/zinc/18/27/79/902182779.db2.gz IXMCIYIXBYCMOP-NSHDSACASA-N 2 2 295.387 -0.037 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]CC[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001401609888 902190142 /nfs/dbraw/zinc/19/01/42/902190142.db2.gz ORRROOIEGVHRPU-VHSXEESVSA-N 2 2 281.360 -0.429 20 0 CBADLP C[C@H](C[NH2+]CC(=O)N(C)C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001401626263 902200707 /nfs/dbraw/zinc/20/07/07/902200707.db2.gz ZQUYOQLKUJRRJI-SNVBAGLBSA-N 2 2 281.360 -0.475 20 0 CBADLP C[C@H](C[NH2+]CC(=O)N(C)C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001401626263 902200721 /nfs/dbraw/zinc/20/07/21/902200721.db2.gz ZQUYOQLKUJRRJI-SNVBAGLBSA-N 2 2 281.360 -0.475 20 0 CBADLP C[C@H](C[NH2+][C@H](C)C(=O)NC1CC1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001401653112 902207093 /nfs/dbraw/zinc/20/70/93/902207093.db2.gz GYWUWRSANFORIM-NXEZZACHSA-N 2 2 293.371 -0.286 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001401659773 902212550 /nfs/dbraw/zinc/21/25/50/902212550.db2.gz WBQQUJKCGJRRAR-SNVBAGLBSA-N 2 2 281.360 -0.807 20 0 CBADLP C[C@@H](C[NH2+]CC(=O)N(C)C)NC(=O)CCc1[nH+]ccn1C ZINC001401690679 902229831 /nfs/dbraw/zinc/22/98/31/902229831.db2.gz GUHSUCOHISEKJZ-NSHDSACASA-N 2 2 295.387 -0.465 20 0 CBADLP C[C@@H](C[NH2+][C@@H]1CCN(C)C1=O)NC(=O)Cc1c[nH]c[nH+]1 ZINC001401708710 902238749 /nfs/dbraw/zinc/23/87/49/902238749.db2.gz VFPGNNMJENLDNV-GXSJLCMTSA-N 2 2 279.344 -0.723 20 0 CBADLP CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001401713271 902239621 /nfs/dbraw/zinc/23/96/21/902239621.db2.gz QSDCZTULXSCIIB-QWRGUYRKSA-N 2 2 295.387 -0.181 20 0 CBADLP CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001401713271 902239635 /nfs/dbraw/zinc/23/96/35/902239635.db2.gz QSDCZTULXSCIIB-QWRGUYRKSA-N 2 2 295.387 -0.181 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)CC ZINC001401923709 902312012 /nfs/dbraw/zinc/31/20/12/902312012.db2.gz LUXIGMPSHIPSNQ-VXGBXAGGSA-N 2 2 284.404 -0.217 20 0 CBADLP CC[C@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)CC ZINC001401923709 902312024 /nfs/dbraw/zinc/31/20/24/902312024.db2.gz LUXIGMPSHIPSNQ-VXGBXAGGSA-N 2 2 284.404 -0.217 20 0 CBADLP CC[C@H](C(N)=O)[NH+]1CC[C@@H]1CNC(=O)CC[N@H+](C)CC ZINC001401923709 902312037 /nfs/dbraw/zinc/31/20/37/902312037.db2.gz LUXIGMPSHIPSNQ-VXGBXAGGSA-N 2 2 284.404 -0.217 20 0 CBADLP CC[C@H](C(N)=O)[NH+]1CC[C@@H]1CNC(=O)CC[N@@H+](C)CC ZINC001401923709 902312053 /nfs/dbraw/zinc/31/20/53/902312053.db2.gz LUXIGMPSHIPSNQ-VXGBXAGGSA-N 2 2 284.404 -0.217 20 0 CBADLP C[C@@H]([NH2+]CC(N)=O)[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001402041782 902341990 /nfs/dbraw/zinc/34/19/90/902341990.db2.gz MODXVVISNGMNPL-PWSUYJOCSA-N 2 2 293.371 -0.203 20 0 CBADLP COC[C@H](O)C[NH+]1CC(N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001402035959 902343273 /nfs/dbraw/zinc/34/32/73/902343273.db2.gz ZEHCGMHCYJJMDG-CYBMUJFWSA-N 2 2 285.388 -0.768 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001402143714 902371043 /nfs/dbraw/zinc/37/10/43/902371043.db2.gz UOKRCJOLRPIRAI-CQSZACIVSA-N 2 2 293.371 -0.482 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001402143714 902371055 /nfs/dbraw/zinc/37/10/55/902371055.db2.gz UOKRCJOLRPIRAI-CQSZACIVSA-N 2 2 293.371 -0.482 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001402143705 902371290 /nfs/dbraw/zinc/37/12/90/902371290.db2.gz UOKRCJOLRPIRAI-AWEZNQCLSA-N 2 2 293.371 -0.482 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@](C)(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001402143705 902371302 /nfs/dbraw/zinc/37/13/02/902371302.db2.gz UOKRCJOLRPIRAI-AWEZNQCLSA-N 2 2 293.371 -0.482 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC[C@]1(O)CC[N@H+](CCF)C1 ZINC001402314671 902421876 /nfs/dbraw/zinc/42/18/76/902421876.db2.gz MDLAJAAABAFIHA-CYBMUJFWSA-N 2 2 284.335 -0.286 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC[C@]1(O)CC[N@@H+](CCF)C1 ZINC001402314671 902421883 /nfs/dbraw/zinc/42/18/83/902421883.db2.gz MDLAJAAABAFIHA-CYBMUJFWSA-N 2 2 284.335 -0.286 20 0 CBADLP CC[NH+]1CC(O)(CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001402361504 902436019 /nfs/dbraw/zinc/43/60/19/902436019.db2.gz XKXGFWPPUNSTIN-UHFFFAOYSA-N 2 2 295.387 -0.759 20 0 CBADLP CCC[N@H+](C)CCC(=O)NCC1(O)C[NH+](C[C@@H](C)O)C1 ZINC001402384698 902440190 /nfs/dbraw/zinc/44/01/90/902440190.db2.gz UNJTXSWRSIWGBY-GFCCVEGCSA-N 2 2 287.404 -0.738 20 0 CBADLP CCC[N@@H+](C)CCC(=O)NCC1(O)C[NH+](C[C@@H](C)O)C1 ZINC001402384698 902440195 /nfs/dbraw/zinc/44/01/95/902440195.db2.gz UNJTXSWRSIWGBY-GFCCVEGCSA-N 2 2 287.404 -0.738 20 0 CBADLP CC(C)OCC[NH+]1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001402390174 902443176 /nfs/dbraw/zinc/44/31/76/902443176.db2.gz VBGARTCDTMOOQV-ZDUSSCGKSA-N 2 2 299.415 -0.474 20 0 CBADLP CC(C)OCC[NH+]1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001402390174 902443189 /nfs/dbraw/zinc/44/31/89/902443189.db2.gz VBGARTCDTMOOQV-ZDUSSCGKSA-N 2 2 299.415 -0.474 20 0 CBADLP CC(C)[N@@H+]1CCC[C@](CO)(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001402449043 902452339 /nfs/dbraw/zinc/45/23/39/902452339.db2.gz LPRAWSLMSWUHCH-HIFRSBDPSA-N 2 2 299.415 -0.332 20 0 CBADLP CC(C)[N@H+]1CCC[C@](CO)(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001402449043 902452345 /nfs/dbraw/zinc/45/23/45/902452345.db2.gz LPRAWSLMSWUHCH-HIFRSBDPSA-N 2 2 299.415 -0.332 20 0 CBADLP CC(C)[NH+]1CCC[C@](CO)(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001402449043 902452354 /nfs/dbraw/zinc/45/23/54/902452354.db2.gz LPRAWSLMSWUHCH-HIFRSBDPSA-N 2 2 299.415 -0.332 20 0 CBADLP CC(C)[NH+]1CCC[C@](CO)(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001402449043 902452364 /nfs/dbraw/zinc/45/23/64/902452364.db2.gz LPRAWSLMSWUHCH-HIFRSBDPSA-N 2 2 299.415 -0.332 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001402547826 902475506 /nfs/dbraw/zinc/47/55/06/902475506.db2.gz MANYUBAJHULQBI-GMTAPVOTSA-N 2 2 279.344 -0.746 20 0 CBADLP NC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001402758788 902515069 /nfs/dbraw/zinc/51/50/69/902515069.db2.gz TWYVLBFHSLWUDN-LBPRGKRZSA-N 2 2 293.371 -0.271 20 0 CBADLP C[N@H+](CCCO)C[C@H]1CCCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001402904258 902558399 /nfs/dbraw/zinc/55/83/99/902558399.db2.gz MOJKKTNXHUTXSH-KGLIPLIRSA-N 2 2 299.415 -0.378 20 0 CBADLP C[N@@H+](CCCO)C[C@H]1CCCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001402904258 902558408 /nfs/dbraw/zinc/55/84/08/902558408.db2.gz MOJKKTNXHUTXSH-KGLIPLIRSA-N 2 2 299.415 -0.378 20 0 CBADLP C[NH+](CCCO)C[C@H]1CCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001402904258 902558415 /nfs/dbraw/zinc/55/84/15/902558415.db2.gz MOJKKTNXHUTXSH-KGLIPLIRSA-N 2 2 299.415 -0.378 20 0 CBADLP C[NH+](CCCO)C[C@H]1CCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001402904258 902558424 /nfs/dbraw/zinc/55/84/24/902558424.db2.gz MOJKKTNXHUTXSH-KGLIPLIRSA-N 2 2 299.415 -0.378 20 0 CBADLP C[C@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+][C@H]1CCN(C)C1=O ZINC001402911706 902559986 /nfs/dbraw/zinc/55/99/86/902559986.db2.gz QBQIQNLHCFQVDM-PWSUYJOCSA-N 2 2 293.371 -0.333 20 0 CBADLP C[C@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH2+][C@H]1CCN(C)C1=O ZINC001402911706 902560001 /nfs/dbraw/zinc/56/00/01/902560001.db2.gz QBQIQNLHCFQVDM-PWSUYJOCSA-N 2 2 293.371 -0.333 20 0 CBADLP C[C@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+][C@@H]1CCN(C)C1=O ZINC001402911715 902561767 /nfs/dbraw/zinc/56/17/67/902561767.db2.gz QBQIQNLHCFQVDM-ZYHUDNBSSA-N 2 2 293.371 -0.333 20 0 CBADLP C[C@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH2+][C@@H]1CCN(C)C1=O ZINC001402911715 902561780 /nfs/dbraw/zinc/56/17/80/902561780.db2.gz QBQIQNLHCFQVDM-ZYHUDNBSSA-N 2 2 293.371 -0.333 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001402994029 902588293 /nfs/dbraw/zinc/58/82/93/902588293.db2.gz YSVIJAIZBNZVFO-QWRGUYRKSA-N 2 2 281.360 -0.498 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)CCCn1cc[nH+]c1 ZINC001403142464 902626572 /nfs/dbraw/zinc/62/65/72/902626572.db2.gz QDNHJEUYZWABNY-NWDGAFQWSA-N 2 2 295.387 -0.108 20 0 CBADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+][C@H](C)c1nncn1C ZINC001403149734 902632548 /nfs/dbraw/zinc/63/25/48/902632548.db2.gz WXZUJIJFCWEQHG-GHMZBOCLSA-N 2 2 291.359 -0.133 20 0 CBADLP CNC(=O)[C@H](C)[N@H+](C)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001403216074 902651376 /nfs/dbraw/zinc/65/13/76/902651376.db2.gz JLSXGLMCZJIOHF-MNOVXSKESA-N 2 2 281.360 -0.546 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+](C)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001403216074 902651386 /nfs/dbraw/zinc/65/13/86/902651386.db2.gz JLSXGLMCZJIOHF-MNOVXSKESA-N 2 2 281.360 -0.546 20 0 CBADLP CN(C)C(=O)C[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001403253962 902658824 /nfs/dbraw/zinc/65/88/24/902658824.db2.gz GPBGTAHWPWIHLC-LBPRGKRZSA-N 2 2 293.371 -0.591 20 0 CBADLP C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C1C[NH+](CC(N)=O)C1 ZINC001403314352 902667575 /nfs/dbraw/zinc/66/75/75/902667575.db2.gz MMQXAYWGURIQIV-SNVBAGLBSA-N 2 2 282.388 -0.750 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001403443032 902691559 /nfs/dbraw/zinc/69/15/59/902691559.db2.gz UHAYOCGGUOYWCM-DCAQKATOSA-N 2 2 293.371 -0.429 20 0 CBADLP C[C@@H]([NH2+][C@@H](C)CCNC(=O)CCc1c[nH+]cn1C)C(N)=O ZINC001403474818 902696065 /nfs/dbraw/zinc/69/60/65/902696065.db2.gz SBYQMAZKFVQPLQ-WDEREUQCSA-N 2 2 295.387 -0.289 20 0 CBADLP C[C@@H](CN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1)[NH2+]CCO ZINC001403585290 902743337 /nfs/dbraw/zinc/74/33/37/902743337.db2.gz YWCCFGDESITIBS-NWDGAFQWSA-N 2 2 280.372 -0.126 20 0 CBADLP O=C(NC[C@@H](CO)[NH2+]CCF)[C@H]1CCn2c[nH+]cc2C1 ZINC001403657811 902780796 /nfs/dbraw/zinc/78/07/96/902780796.db2.gz CHKWUXWBWSVFIU-QWRGUYRKSA-N 2 2 284.335 -0.518 20 0 CBADLP CC[NH2+][C@@H](CO)CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001403666491 902789766 /nfs/dbraw/zinc/78/97/66/902789766.db2.gz IFZMPLRIVOIHIS-ZWNOBZJWSA-N 2 2 295.387 -0.123 20 0 CBADLP CC[NH2+][C@@H](CO)CNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001403666491 902789778 /nfs/dbraw/zinc/78/97/78/902789778.db2.gz IFZMPLRIVOIHIS-ZWNOBZJWSA-N 2 2 295.387 -0.123 20 0 CBADLP CC(C)c1[nH+]ccn1CC(=O)NCC[N@H+](C)[C@@H](C)C(N)=O ZINC001403694397 902804530 /nfs/dbraw/zinc/80/45/30/902804530.db2.gz UGUAWBRGCVLEKJ-NSHDSACASA-N 2 2 295.387 -0.072 20 0 CBADLP CC(C)c1[nH+]ccn1CC(=O)NCC[N@@H+](C)[C@@H](C)C(N)=O ZINC001403694397 902804541 /nfs/dbraw/zinc/80/45/41/902804541.db2.gz UGUAWBRGCVLEKJ-NSHDSACASA-N 2 2 295.387 -0.072 20 0 CBADLP CC(C)c1[nH+]ccn1CC(=O)NCC[N@H+](C)[C@H](C)C(N)=O ZINC001403694391 902805191 /nfs/dbraw/zinc/80/51/91/902805191.db2.gz UGUAWBRGCVLEKJ-LLVKDONJSA-N 2 2 295.387 -0.072 20 0 CBADLP CC(C)c1[nH+]ccn1CC(=O)NCC[N@@H+](C)[C@H](C)C(N)=O ZINC001403694391 902805203 /nfs/dbraw/zinc/80/52/03/902805203.db2.gz UGUAWBRGCVLEKJ-LLVKDONJSA-N 2 2 295.387 -0.072 20 0 CBADLP Cc1cc(C[NH2+][C@H](CO)CNC(=O)CC[NH+](C)C)no1 ZINC001403697810 902806913 /nfs/dbraw/zinc/80/69/13/902806913.db2.gz ISSJZVIQPLSUJO-LBPRGKRZSA-N 2 2 284.360 -0.499 20 0 CBADLP Cc1cc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CC[N@@H+](C)C2)no1 ZINC001403749353 902835735 /nfs/dbraw/zinc/83/57/35/902835735.db2.gz QJHLIGKNSONSAG-WCQYABFASA-N 2 2 296.371 -0.499 20 0 CBADLP Cc1cc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CC[N@H+](C)C2)no1 ZINC001403749353 902835748 /nfs/dbraw/zinc/83/57/48/902835748.db2.gz QJHLIGKNSONSAG-WCQYABFASA-N 2 2 296.371 -0.499 20 0 CBADLP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)[C@@H]1C ZINC001403780718 902845711 /nfs/dbraw/zinc/84/57/11/902845711.db2.gz XUJACJKITSDCIX-GHMZBOCLSA-N 2 2 293.371 -0.414 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CCC[N@@H+]1CC(N)=O ZINC001403819734 902860438 /nfs/dbraw/zinc/86/04/38/902860438.db2.gz MYNIQJVODGXPIY-NEPJUHHUSA-N 2 2 296.415 -0.075 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CCC[N@H+]1CC(N)=O ZINC001403819734 902860450 /nfs/dbraw/zinc/86/04/50/902860450.db2.gz MYNIQJVODGXPIY-NEPJUHHUSA-N 2 2 296.415 -0.075 20 0 CBADLP CN(C[C@@H](O)C[N@H+](C)CCCO)C(=O)Cc1[nH]cc[nH+]1 ZINC001403887154 902892270 /nfs/dbraw/zinc/89/22/70/902892270.db2.gz AEEFMOKEHBKSOF-NSHDSACASA-N 2 2 284.360 -0.914 20 0 CBADLP CN(C[C@@H](O)C[N@@H+](C)CCCO)C(=O)Cc1[nH]cc[nH+]1 ZINC001403887154 902892280 /nfs/dbraw/zinc/89/22/80/902892280.db2.gz AEEFMOKEHBKSOF-NSHDSACASA-N 2 2 284.360 -0.914 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+]1CCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001404017908 902926929 /nfs/dbraw/zinc/92/69/29/902926929.db2.gz FSYJRZRAXGGWQN-RYUDHWBXSA-N 2 2 293.371 -0.272 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+]1CCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001404017908 902926934 /nfs/dbraw/zinc/92/69/34/902926934.db2.gz FSYJRZRAXGGWQN-RYUDHWBXSA-N 2 2 293.371 -0.272 20 0 CBADLP C[NH+]1CCC(CC(=O)NCC[N@H+](CC(N)=O)C2CC2)CC1 ZINC001404260690 902960129 /nfs/dbraw/zinc/96/01/29/902960129.db2.gz MXIXYNBGZGTNMK-UHFFFAOYSA-N 2 2 296.415 -0.216 20 0 CBADLP C[NH+]1CCC(CC(=O)NCC[N@@H+](CC(N)=O)C2CC2)CC1 ZINC001404260690 902960144 /nfs/dbraw/zinc/96/01/44/902960144.db2.gz MXIXYNBGZGTNMK-UHFFFAOYSA-N 2 2 296.415 -0.216 20 0 CBADLP CNC(=O)C[N@H+](C)C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001404588655 903004833 /nfs/dbraw/zinc/00/48/33/903004833.db2.gz LMIDRKMKJVJZDQ-LLVKDONJSA-N 2 2 293.371 -0.522 20 0 CBADLP CNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001404588655 903004851 /nfs/dbraw/zinc/00/48/51/903004851.db2.gz LMIDRKMKJVJZDQ-LLVKDONJSA-N 2 2 293.371 -0.522 20 0 CBADLP CC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](CC(=O)NC)C1 ZINC001404711260 903014949 /nfs/dbraw/zinc/01/49/49/903014949.db2.gz JEGCZVZCNLFIQF-LBPRGKRZSA-N 2 2 284.404 -0.345 20 0 CBADLP CC[N@@H+](C)CCC(=O)N[C@H]1CCC[NH+](CC(=O)NC)C1 ZINC001404711260 903014965 /nfs/dbraw/zinc/01/49/65/903014965.db2.gz JEGCZVZCNLFIQF-LBPRGKRZSA-N 2 2 284.404 -0.345 20 0 CBADLP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](CC(=O)NC)C1 ZINC001404711260 903014979 /nfs/dbraw/zinc/01/49/79/903014979.db2.gz JEGCZVZCNLFIQF-LBPRGKRZSA-N 2 2 284.404 -0.345 20 0 CBADLP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+](CC(=O)NC)C1 ZINC001404711260 903014994 /nfs/dbraw/zinc/01/49/94/903014994.db2.gz JEGCZVZCNLFIQF-LBPRGKRZSA-N 2 2 284.404 -0.345 20 0 CBADLP COC[C@@H](O)C[NH+]1CC(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001404817294 903036740 /nfs/dbraw/zinc/03/67/40/903036740.db2.gz BPLCGNLAQPCFKY-AWEZNQCLSA-N 2 2 299.415 -0.474 20 0 CBADLP CCC[N@H+](C)CCC(=O)NCC1C[NH+](CC(=O)N(C)C)C1 ZINC001404922328 903055334 /nfs/dbraw/zinc/05/53/34/903055334.db2.gz RJNCUMNFFCNOME-UHFFFAOYSA-N 2 2 298.431 -0.146 20 0 CBADLP CCC[N@@H+](C)CCC(=O)NCC1C[NH+](CC(=O)N(C)C)C1 ZINC001404922328 903055344 /nfs/dbraw/zinc/05/53/44/903055344.db2.gz RJNCUMNFFCNOME-UHFFFAOYSA-N 2 2 298.431 -0.146 20 0 CBADLP NC(=O)C[NH+]1CC(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001404955047 903058538 /nfs/dbraw/zinc/05/85/38/903058538.db2.gz YAHFCQSZVRCNHK-UHFFFAOYSA-N 2 2 282.388 -0.604 20 0 CBADLP CC[C@H](C(=O)N[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1)[NH+](C)C ZINC001405067319 903078475 /nfs/dbraw/zinc/07/84/75/903078475.db2.gz YSVNFDDPFLJBBH-IJLUTSLNSA-N 2 2 282.388 -0.594 20 0 CBADLP CC[C@H](C(=O)N[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1)[NH+](C)C ZINC001405067319 903078490 /nfs/dbraw/zinc/07/84/90/903078490.db2.gz YSVNFDDPFLJBBH-IJLUTSLNSA-N 2 2 282.388 -0.594 20 0 CBADLP CC[C@H](C(=O)N[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1)[NH+](C)C ZINC001405067328 903080205 /nfs/dbraw/zinc/08/02/05/903080205.db2.gz YSVNFDDPFLJBBH-UTUOFQBUSA-N 2 2 282.388 -0.594 20 0 CBADLP CC[C@H](C(=O)N[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1)[NH+](C)C ZINC001405067328 903080215 /nfs/dbraw/zinc/08/02/15/903080215.db2.gz YSVNFDDPFLJBBH-UTUOFQBUSA-N 2 2 282.388 -0.594 20 0 CBADLP CNC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001405518099 903172722 /nfs/dbraw/zinc/17/27/22/903172722.db2.gz DIUUWSDMAJEGNE-XYPYZODXSA-N 2 2 293.371 -0.285 20 0 CBADLP CC[C@H]([NH2+]C[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1)C(N)=O ZINC001405696365 903205701 /nfs/dbraw/zinc/20/57/01/903205701.db2.gz PXCHNQZPUMNJOY-ONGXEEELSA-N 2 2 281.360 -0.442 20 0 CBADLP C[NH+](C)CCCC(=O)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001405731500 903209429 /nfs/dbraw/zinc/20/94/29/903209429.db2.gz RXFMLZLJJUYTSM-GFCCVEGCSA-N 2 2 273.377 -0.863 20 0 CBADLP C[NH+](C)CCCC(=O)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001405731500 903209442 /nfs/dbraw/zinc/20/94/42/903209442.db2.gz RXFMLZLJJUYTSM-GFCCVEGCSA-N 2 2 273.377 -0.863 20 0 CBADLP C[C@H](C[NH2+]CC(N)=O)N(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001405833707 903231501 /nfs/dbraw/zinc/23/15/01/903231501.db2.gz FDNZJRZTMKNVKJ-MNOVXSKESA-N 2 2 293.371 -0.633 20 0 CBADLP C[C@@H](C[NH2+]CC(N)=O)N(C)C(=O)c1cc(C[NH+](C)C)on1 ZINC001405841294 903233634 /nfs/dbraw/zinc/23/36/34/903233634.db2.gz GUKVCSNBCYQDGR-VIFPVBQESA-N 2 2 297.359 -0.728 20 0 CBADLP CNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)CCc1[nH+]ccn1C ZINC001405850725 903235738 /nfs/dbraw/zinc/23/57/38/903235738.db2.gz PEBXSOZVAKUBKE-NSHDSACASA-N 2 2 295.387 -0.465 20 0 CBADLP CC[C@@H]([NH2+]C[C@H](C)N(C)C(=O)Cc1c[nH+]c[nH]1)C(N)=O ZINC001405876635 903240298 /nfs/dbraw/zinc/24/02/98/903240298.db2.gz RDICICJKXQRKSD-GXSJLCMTSA-N 2 2 281.360 -0.347 20 0 CBADLP CC(C)[C@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+]CC(N)=O ZINC001406043573 903256535 /nfs/dbraw/zinc/25/65/35/903256535.db2.gz QWWQZFOHRXWMGP-NSHDSACASA-N 2 2 281.360 -0.442 20 0 CBADLP CC(C)[C@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH2+]CC(N)=O ZINC001406043573 903256549 /nfs/dbraw/zinc/25/65/49/903256549.db2.gz QWWQZFOHRXWMGP-NSHDSACASA-N 2 2 281.360 -0.442 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N(C)CC[N@@H+](C)[C@H](C)C(N)=O ZINC001406112637 903275523 /nfs/dbraw/zinc/27/55/23/903275523.db2.gz GUCKRZABTRTANK-LLVKDONJSA-N 2 2 281.360 -0.544 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N(C)CC[N@H+](C)[C@H](C)C(N)=O ZINC001406112637 903275533 /nfs/dbraw/zinc/27/55/33/903275533.db2.gz GUCKRZABTRTANK-LLVKDONJSA-N 2 2 281.360 -0.544 20 0 CBADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)CC[N@H+](C)CC(N)=O ZINC001406179406 903286313 /nfs/dbraw/zinc/28/63/13/903286313.db2.gz WMUZZAZAYJMNMN-VXGBXAGGSA-N 2 2 284.404 -0.265 20 0 CBADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)CC[N@@H+](C)CC(N)=O ZINC001406179406 903286321 /nfs/dbraw/zinc/28/63/21/903286321.db2.gz WMUZZAZAYJMNMN-VXGBXAGGSA-N 2 2 284.404 -0.265 20 0 CBADLP C[C@H](CC[NH2+][C@H]1CCNC1=O)NC(=O)CCc1c[nH]c[nH+]1 ZINC001406293062 903344210 /nfs/dbraw/zinc/34/42/10/903344210.db2.gz BBUYVNJTNVMMIK-PWSUYJOCSA-N 2 2 293.371 -0.285 20 0 CBADLP C[C@H](CC[NH2+][C@H]1CCNC1=O)NC(=O)CCc1c[nH+]c[nH]1 ZINC001406293062 903344224 /nfs/dbraw/zinc/34/42/24/903344224.db2.gz BBUYVNJTNVMMIK-PWSUYJOCSA-N 2 2 293.371 -0.285 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]CC[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001406303280 903347111 /nfs/dbraw/zinc/34/71/11/903347111.db2.gz GAMYDKJOPXNWES-UWVGGRQHSA-N 2 2 281.360 -0.429 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]CC[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001406304461 903352603 /nfs/dbraw/zinc/35/26/03/903352603.db2.gz CMTCAXPVLBTVMT-RYUDHWBXSA-N 2 2 295.387 -0.108 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]CC[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001406327099 903361191 /nfs/dbraw/zinc/36/11/91/903361191.db2.gz YOODWPJBHPKQMN-WDEREUQCSA-N 2 2 295.387 -0.419 20 0 CBADLP CCN(CC)C(=O)C[NH2+]C[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001406414748 903396237 /nfs/dbraw/zinc/39/62/37/903396237.db2.gz SPOOKIOTASYQSW-LLVKDONJSA-N 2 2 295.387 -0.085 20 0 CBADLP C[C@@H](C[NH2+]Cc1nccn1C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001406456560 903408125 /nfs/dbraw/zinc/40/81/25/903408125.db2.gz XWBBUOQGQARKPA-RYUDHWBXSA-N 2 2 295.387 -0.655 20 0 CBADLP C[C@@H](C[NH2+]Cc1nccn1C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001406456560 903408136 /nfs/dbraw/zinc/40/81/36/903408136.db2.gz XWBBUOQGQARKPA-RYUDHWBXSA-N 2 2 295.387 -0.655 20 0 CBADLP CNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001406485397 903416164 /nfs/dbraw/zinc/41/61/64/903416164.db2.gz CPYNLGGBPPQVRI-QWRGUYRKSA-N 2 2 293.371 -0.714 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C[NH2+]CC(=O)NC(C)C ZINC001406549751 903429845 /nfs/dbraw/zinc/42/98/45/903429845.db2.gz DMAPEGWAZBQXLC-JTQLQIEISA-N 2 2 295.387 -0.120 20 0 CBADLP C[C@@H](C[NH2+]Cc1ccnn1C)NC(=O)Cc1c[nH+]cn1C ZINC001406547941 903430310 /nfs/dbraw/zinc/43/03/10/903430310.db2.gz YDBISYSZEUDCQX-NSHDSACASA-N 2 2 290.371 -0.009 20 0 CBADLP C[C@@H]([NH2+]C[C@H](C)NC(=O)Cn1cc[nH+]c1)c1nncn1C ZINC001406574871 903432993 /nfs/dbraw/zinc/43/29/93/903432993.db2.gz VJILSBRPAFUCIO-WDEREUQCSA-N 2 2 291.359 -0.133 20 0 CBADLP Cc1nnc(C[NH2+]C[C@H](C)NC(=O)Cn2cc[nH+]c2C)[nH]1 ZINC001406566458 903433483 /nfs/dbraw/zinc/43/34/83/903433483.db2.gz YYCZLTWAEJWVCD-VIFPVBQESA-N 2 2 291.359 -0.087 20 0 CBADLP C[C@H](C[N@H+](C)CC(N)=O)NC(=O)[C@@H]1CCCC[NH+]1C ZINC001406614206 903446685 /nfs/dbraw/zinc/44/66/85/903446685.db2.gz HAHWFZKDQUPTIB-MNOVXSKESA-N 2 2 270.377 -0.608 20 0 CBADLP C[C@H](C[N@@H+](C)CC(N)=O)NC(=O)[C@@H]1CCCC[NH+]1C ZINC001406614206 903446690 /nfs/dbraw/zinc/44/66/90/903446690.db2.gz HAHWFZKDQUPTIB-MNOVXSKESA-N 2 2 270.377 -0.608 20 0 CBADLP C[C@H](C[NH+](C)CC(N)=O)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001406614206 903446700 /nfs/dbraw/zinc/44/67/00/903446700.db2.gz HAHWFZKDQUPTIB-MNOVXSKESA-N 2 2 270.377 -0.608 20 0 CBADLP C[C@H](C[NH+](C)CC(N)=O)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001406614206 903446708 /nfs/dbraw/zinc/44/67/08/903446708.db2.gz HAHWFZKDQUPTIB-MNOVXSKESA-N 2 2 270.377 -0.608 20 0 CBADLP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)CC(N)=O ZINC001406610304 903448832 /nfs/dbraw/zinc/44/88/32/903448832.db2.gz OAARMXLFIJOCJO-NEPJUHHUSA-N 2 2 284.404 -0.217 20 0 CBADLP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)CC(N)=O ZINC001406610304 903448840 /nfs/dbraw/zinc/44/88/40/903448840.db2.gz OAARMXLFIJOCJO-NEPJUHHUSA-N 2 2 284.404 -0.217 20 0 CBADLP CCC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)CC(N)=O ZINC001406610304 903448849 /nfs/dbraw/zinc/44/88/49/903448849.db2.gz OAARMXLFIJOCJO-NEPJUHHUSA-N 2 2 284.404 -0.217 20 0 CBADLP CCC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)CC(N)=O ZINC001406610304 903448858 /nfs/dbraw/zinc/44/88/58/903448858.db2.gz OAARMXLFIJOCJO-NEPJUHHUSA-N 2 2 284.404 -0.217 20 0 CBADLP C[C@@H](C[N@H+](C)CC(N)=O)NC(=O)C[NH+]1CCC(C)CC1 ZINC001406676006 903460316 /nfs/dbraw/zinc/46/03/16/903460316.db2.gz BHLGPZCWUWPNAD-LBPRGKRZSA-N 2 2 284.404 -0.360 20 0 CBADLP C[C@@H](C[N@@H+](C)CC(N)=O)NC(=O)C[NH+]1CCC(C)CC1 ZINC001406676006 903460329 /nfs/dbraw/zinc/46/03/29/903460329.db2.gz BHLGPZCWUWPNAD-LBPRGKRZSA-N 2 2 284.404 -0.360 20 0 CBADLP C[C@@H](CC(=O)N[C@@H](C[NH2+]CC(N)=O)C1CC1)n1cc[nH+]c1 ZINC001406785254 903480362 /nfs/dbraw/zinc/48/03/62/903480362.db2.gz ROEMLAZCGFUZAG-JQWIXIFHSA-N 2 2 293.371 -0.196 20 0 CBADLP COC[C@H](O)C[N@@H+]1CC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001406853832 903492773 /nfs/dbraw/zinc/49/27/73/903492773.db2.gz XOPTXZSKROEFLH-QWHCGFSZSA-N 2 2 296.371 -0.529 20 0 CBADLP COC[C@H](O)C[N@H+]1CC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001406853832 903492782 /nfs/dbraw/zinc/49/27/82/903492782.db2.gz XOPTXZSKROEFLH-QWHCGFSZSA-N 2 2 296.371 -0.529 20 0 CBADLP CN1CC[C@@H]([N@@H+]2CC[C@@H]2CNC(=O)CCC[NH+](C)C)C1=O ZINC001406861018 903493789 /nfs/dbraw/zinc/49/37/89/903493789.db2.gz NPZROHKWGHDMCQ-CHWSQXEVSA-N 2 2 296.415 -0.251 20 0 CBADLP CN1CC[C@@H]([N@H+]2CC[C@@H]2CNC(=O)CCC[NH+](C)C)C1=O ZINC001406861018 903493792 /nfs/dbraw/zinc/49/37/92/903493792.db2.gz NPZROHKWGHDMCQ-CHWSQXEVSA-N 2 2 296.415 -0.251 20 0 CBADLP COC[C@@H](O)C[N@@H+]1CC[C@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001406876693 903502630 /nfs/dbraw/zinc/50/26/30/903502630.db2.gz KXQMQKHNLNDOTG-RYUDHWBXSA-N 2 2 296.371 -0.542 20 0 CBADLP COC[C@@H](O)C[N@H+]1CC[C@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001406876693 903502644 /nfs/dbraw/zinc/50/26/44/903502644.db2.gz KXQMQKHNLNDOTG-RYUDHWBXSA-N 2 2 296.371 -0.542 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CC[NH+]1[C@H]1CCCNC1=O ZINC001406898769 903507622 /nfs/dbraw/zinc/50/76/22/903507622.db2.gz LHOXSZUBZZYVBU-STQMWFEESA-N 2 2 296.415 -0.204 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CC[NH+]1[C@H]1CCCNC1=O ZINC001406898769 903507636 /nfs/dbraw/zinc/50/76/36/903507636.db2.gz LHOXSZUBZZYVBU-STQMWFEESA-N 2 2 296.415 -0.204 20 0 CBADLP CC(C)[NH+](C)CC(=O)NC[C@@H]1CC[N@@H+]1[C@H]1CCCNC1=O ZINC001406898769 903507650 /nfs/dbraw/zinc/50/76/50/903507650.db2.gz LHOXSZUBZZYVBU-STQMWFEESA-N 2 2 296.415 -0.204 20 0 CBADLP CC(C)[NH+](C)CC(=O)NC[C@@H]1CC[N@H+]1[C@H]1CCCNC1=O ZINC001406898769 903507663 /nfs/dbraw/zinc/50/76/63/903507663.db2.gz LHOXSZUBZZYVBU-STQMWFEESA-N 2 2 296.415 -0.204 20 0 CBADLP C[C@@H](O)C[NH2+]C[C@@H]1CCCN1C(=O)Cc1c[nH+]cn1C ZINC001407106860 903544531 /nfs/dbraw/zinc/54/45/31/903544531.db2.gz NGUPRJONGPOEEY-NEPJUHHUSA-N 2 2 280.372 -0.076 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C[NH2+]CC(N)=O ZINC001407106649 903544871 /nfs/dbraw/zinc/54/48/71/903544871.db2.gz CZDICQBEIGGJRU-PWSUYJOCSA-N 2 2 293.371 -0.346 20 0 CBADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C[NH2+]CC(N)=O ZINC001407106649 903544894 /nfs/dbraw/zinc/54/48/94/903544894.db2.gz CZDICQBEIGGJRU-PWSUYJOCSA-N 2 2 293.371 -0.346 20 0 CBADLP CN(C)C(=O)C[N@@H+]1CC[C@@](C)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001407221101 903557337 /nfs/dbraw/zinc/55/73/37/903557337.db2.gz XNVQYXIGIFRXBN-CQSZACIVSA-N 2 2 293.371 -0.448 20 0 CBADLP CN(C)C(=O)C[N@H+]1CC[C@@](C)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001407221101 903557347 /nfs/dbraw/zinc/55/73/47/903557347.db2.gz XNVQYXIGIFRXBN-CQSZACIVSA-N 2 2 293.371 -0.448 20 0 CBADLP CCNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001407208577 903558440 /nfs/dbraw/zinc/55/84/40/903558440.db2.gz RCQBEEBHJSYFLE-IUODEOHRSA-N 2 2 296.415 -0.203 20 0 CBADLP CCNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001407208577 903558449 /nfs/dbraw/zinc/55/84/49/903558449.db2.gz RCQBEEBHJSYFLE-IUODEOHRSA-N 2 2 296.415 -0.203 20 0 CBADLP CCNC(=O)C[NH+]1CC[C@@](C)(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001407208577 903558461 /nfs/dbraw/zinc/55/84/61/903558461.db2.gz RCQBEEBHJSYFLE-IUODEOHRSA-N 2 2 296.415 -0.203 20 0 CBADLP CCNC(=O)C[NH+]1CC[C@@](C)(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001407208577 903558469 /nfs/dbraw/zinc/55/84/69/903558469.db2.gz RCQBEEBHJSYFLE-IUODEOHRSA-N 2 2 296.415 -0.203 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@]1(O)CC[NH+](CCF)C1 ZINC001407353276 903579651 /nfs/dbraw/zinc/57/96/51/903579651.db2.gz JWIBXLOZXUKMED-AAEUAGOBSA-N 2 2 273.352 -0.397 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@@]1(O)CC[NH+](CCF)C1 ZINC001407353276 903579660 /nfs/dbraw/zinc/57/96/60/903579660.db2.gz JWIBXLOZXUKMED-AAEUAGOBSA-N 2 2 273.352 -0.397 20 0 CBADLP C[NH+]1CCC[C@H]1C(=O)NC[C@@]1(O)CC[N@H+](CCF)C1 ZINC001407353276 903579667 /nfs/dbraw/zinc/57/96/67/903579667.db2.gz JWIBXLOZXUKMED-AAEUAGOBSA-N 2 2 273.352 -0.397 20 0 CBADLP C[NH+]1CCC[C@H]1C(=O)NC[C@@]1(O)CC[N@@H+](CCF)C1 ZINC001407353276 903579672 /nfs/dbraw/zinc/57/96/72/903579672.db2.gz JWIBXLOZXUKMED-AAEUAGOBSA-N 2 2 273.352 -0.397 20 0 CBADLP CO[C@@H](C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001407465357 903611605 /nfs/dbraw/zinc/61/16/05/903611605.db2.gz LCWIJTURJNZHDR-KBPBESRZSA-N 2 2 299.415 -0.066 20 0 CBADLP CO[C@@H](C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001407465357 903611613 /nfs/dbraw/zinc/61/16/13/903611613.db2.gz LCWIJTURJNZHDR-KBPBESRZSA-N 2 2 299.415 -0.066 20 0 CBADLP CO[C@H](C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001407465360 903612024 /nfs/dbraw/zinc/61/20/24/903612024.db2.gz LCWIJTURJNZHDR-KGLIPLIRSA-N 2 2 299.415 -0.066 20 0 CBADLP CO[C@H](C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001407465360 903612033 /nfs/dbraw/zinc/61/20/33/903612033.db2.gz LCWIJTURJNZHDR-KGLIPLIRSA-N 2 2 299.415 -0.066 20 0 CBADLP CO[C@H](C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001407465367 903612110 /nfs/dbraw/zinc/61/21/10/903612110.db2.gz LCWIJTURJNZHDR-ZIAGYGMSSA-N 2 2 299.415 -0.066 20 0 CBADLP CO[C@H](C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001407465367 903612116 /nfs/dbraw/zinc/61/21/16/903612116.db2.gz LCWIJTURJNZHDR-ZIAGYGMSSA-N 2 2 299.415 -0.066 20 0 CBADLP CO[C@@H](C)C[NH+]1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001407509050 903620834 /nfs/dbraw/zinc/62/08/34/903620834.db2.gz CYAHNAPYRFDNJE-YNEHKIRRSA-N 2 2 299.415 -0.476 20 0 CBADLP CO[C@@H](C)C[NH+]1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001407509050 903620842 /nfs/dbraw/zinc/62/08/42/903620842.db2.gz CYAHNAPYRFDNJE-YNEHKIRRSA-N 2 2 299.415 -0.476 20 0 CBADLP C[C@H]([NH2+]CC(N)=O)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001407535106 903624453 /nfs/dbraw/zinc/62/44/53/903624453.db2.gz JSURKWIBKBAJOK-UWVGGRQHSA-N 2 2 279.344 -0.736 20 0 CBADLP CCC[N@H+](C)CC(=O)N[C@@H]1COC2(C[NH+](CCCO)C2)C1 ZINC001407975000 903689371 /nfs/dbraw/zinc/68/93/71/903689371.db2.gz NZAIPZUPOZZVME-ZDUSSCGKSA-N 2 2 299.415 -0.330 20 0 CBADLP CCC[N@@H+](C)CC(=O)N[C@@H]1COC2(C[NH+](CCCO)C2)C1 ZINC001407975000 903689381 /nfs/dbraw/zinc/68/93/81/903689381.db2.gz NZAIPZUPOZZVME-ZDUSSCGKSA-N 2 2 299.415 -0.330 20 0 CBADLP CNC(=O)C[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001408085837 903705757 /nfs/dbraw/zinc/70/57/57/903705757.db2.gz GBTQVTJIKXNLHD-NWDGAFQWSA-N 2 2 293.371 -0.544 20 0 CBADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)NC(=O)C[NH+]1CCCC1 ZINC001408225434 903734464 /nfs/dbraw/zinc/73/44/64/903734464.db2.gz QFNBGMQXRSKLJA-GFCCVEGCSA-N 2 2 293.371 -0.400 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@H](O)C(C)(C)O)CC1 ZINC001459794478 914744464 /nfs/dbraw/zinc/74/44/64/914744464.db2.gz BEGUVHDHKIJSJG-STQMWFEESA-N 2 2 299.415 -0.643 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@H](O)C(C)(C)O)CC1 ZINC001459794478 914744479 /nfs/dbraw/zinc/74/44/79/914744479.db2.gz BEGUVHDHKIJSJG-STQMWFEESA-N 2 2 299.415 -0.643 20 0 CBADLP C[C@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)[NH2+]CC(=O)NC1CC1 ZINC001409465656 903902105 /nfs/dbraw/zinc/90/21/05/903902105.db2.gz KIBOPKPRQGDNAL-QWRGUYRKSA-N 2 2 293.371 -0.356 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NC[C@@H](C)[N@H+](C)[C@@H](C)C(N)=O ZINC001409581993 903930544 /nfs/dbraw/zinc/93/05/44/903930544.db2.gz NDGCFRLJEQRRDT-KOLCDFICSA-N 2 2 281.360 -0.498 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NC[C@@H](C)[N@@H+](C)[C@@H](C)C(N)=O ZINC001409581993 903930552 /nfs/dbraw/zinc/93/05/52/903930552.db2.gz NDGCFRLJEQRRDT-KOLCDFICSA-N 2 2 281.360 -0.498 20 0 CBADLP O=C(NC1(CCO)C[NH+](CCCO)C1)C12CC[NH+](CC1)C2 ZINC001409750740 903971925 /nfs/dbraw/zinc/97/19/25/903971925.db2.gz PHQGRSOICDFRBD-UHFFFAOYSA-N 2 2 297.399 -0.982 20 0 CBADLP NC(=O)C[N@@H+]1CCCCC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001409851482 903976139 /nfs/dbraw/zinc/97/61/39/903976139.db2.gz UTSSMOJTVMKILE-CYBMUJFWSA-N 2 2 296.415 -0.072 20 0 CBADLP NC(=O)C[N@H+]1CCCCC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001409851482 903976149 /nfs/dbraw/zinc/97/61/49/903976149.db2.gz UTSSMOJTVMKILE-CYBMUJFWSA-N 2 2 296.415 -0.072 20 0 CBADLP C[C@@H](NC(=O)Cc1c[nH+]cn1C)C1C[NH+](C[C@H](C)O)C1 ZINC001409970243 903987849 /nfs/dbraw/zinc/98/78/49/903987849.db2.gz RNUKMSVXCXKWLM-WDEREUQCSA-N 2 2 280.372 -0.220 20 0 CBADLP C[C@H](CN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1)[NH2+]CC(N)=O ZINC001410377042 904088277 /nfs/dbraw/zinc/08/82/77/904088277.db2.gz JAJNJTJZWSHIES-MNOVXSKESA-N 2 2 293.371 -0.633 20 0 CBADLP C[NH+](C)CCC(=O)NC[C@@H]1CCN1C(=O)Cn1cc[nH+]c1 ZINC001410644559 904151279 /nfs/dbraw/zinc/15/12/79/904151279.db2.gz PZZUZDPAXGLNMM-LBPRGKRZSA-N 2 2 293.371 -0.448 20 0 CBADLP CO[C@@H](C)C[NH2+][C@@H](CO)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001410720503 904168888 /nfs/dbraw/zinc/16/88/88/904168888.db2.gz HELUZVVLWVDGDL-GXSJLCMTSA-N 2 2 270.333 -0.946 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H](CO)[NH2+]C[C@@H]1CCOC1 ZINC001410725889 904174667 /nfs/dbraw/zinc/17/46/67/904174667.db2.gz NZEBDNUQSKSBKL-CMPLNLGQSA-N 2 2 282.344 -0.945 20 0 CBADLP NC(=O)C[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001410948279 904211416 /nfs/dbraw/zinc/21/14/16/904211416.db2.gz UETWDEYQDNFEKK-UWVGGRQHSA-N 2 2 279.344 -0.688 20 0 CBADLP CC(C)N(CC[N@H+](C)CC(N)=O)C(=O)C[NH+](C)C(C)C ZINC001411200778 904265546 /nfs/dbraw/zinc/26/55/46/904265546.db2.gz BLCCHGMDKBPTIE-UHFFFAOYSA-N 2 2 286.420 -0.019 20 0 CBADLP CC(C)N(CC[N@@H+](C)CC(N)=O)C(=O)C[NH+](C)C(C)C ZINC001411200778 904265563 /nfs/dbraw/zinc/26/55/63/904265563.db2.gz BLCCHGMDKBPTIE-UHFFFAOYSA-N 2 2 286.420 -0.019 20 0 CBADLP CC(C)N(CC[NH+](C)CC(N)=O)C(=O)C[N@H+](C)C(C)C ZINC001411200778 904265580 /nfs/dbraw/zinc/26/55/80/904265580.db2.gz BLCCHGMDKBPTIE-UHFFFAOYSA-N 2 2 286.420 -0.019 20 0 CBADLP CC(C)N(CC[NH+](C)CC(N)=O)C(=O)C[N@@H+](C)C(C)C ZINC001411200778 904265593 /nfs/dbraw/zinc/26/55/93/904265593.db2.gz BLCCHGMDKBPTIE-UHFFFAOYSA-N 2 2 286.420 -0.019 20 0 CBADLP Cc1[nH+]ccn1CC[N@@H+]1CCN2CCOC[C@@]2(CO)C1 ZINC001460848241 914824854 /nfs/dbraw/zinc/82/48/54/914824854.db2.gz KLRGLQAYUKRTNS-AWEZNQCLSA-N 2 2 280.372 -0.430 20 0 CBADLP Cc1[nH+]ccn1CC[N@H+]1CCN2CCOC[C@@]2(CO)C1 ZINC001460848241 914824870 /nfs/dbraw/zinc/82/48/70/914824870.db2.gz KLRGLQAYUKRTNS-AWEZNQCLSA-N 2 2 280.372 -0.430 20 0 CBADLP Cc1[nH+]ccn1CC[N@@H+]1CCN2CCOC[C@]2(CO)C1 ZINC001460848244 914826950 /nfs/dbraw/zinc/82/69/50/914826950.db2.gz KLRGLQAYUKRTNS-CQSZACIVSA-N 2 2 280.372 -0.430 20 0 CBADLP Cc1[nH+]ccn1CC[N@H+]1CCN2CCOC[C@]2(CO)C1 ZINC001460848244 914826967 /nfs/dbraw/zinc/82/69/67/914826967.db2.gz KLRGLQAYUKRTNS-CQSZACIVSA-N 2 2 280.372 -0.430 20 0 CBADLP COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001412687251 904665090 /nfs/dbraw/zinc/66/50/90/904665090.db2.gz MVUHSWNOWZGPNN-YUSALJHKSA-N 2 2 294.355 -0.050 20 0 CBADLP COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001412687251 904665092 /nfs/dbraw/zinc/66/50/92/904665092.db2.gz MVUHSWNOWZGPNN-YUSALJHKSA-N 2 2 294.355 -0.050 20 0 CBADLP COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001412687251 904665096 /nfs/dbraw/zinc/66/50/96/904665096.db2.gz MVUHSWNOWZGPNN-YUSALJHKSA-N 2 2 294.355 -0.050 20 0 CBADLP COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001412687251 904665100 /nfs/dbraw/zinc/66/51/00/904665100.db2.gz MVUHSWNOWZGPNN-YUSALJHKSA-N 2 2 294.355 -0.050 20 0 CBADLP Cn1c[nH+]cc1[C@@H](CO)NC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O ZINC001413327048 905020012 /nfs/dbraw/zinc/02/00/12/905020012.db2.gz OAJVIIPCOBZVLL-NQBHXWOUSA-N 2 2 296.371 -0.585 20 0 CBADLP Cn1c[nH+]cc1[C@@H](CO)NC(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O ZINC001413327048 905020032 /nfs/dbraw/zinc/02/00/32/905020032.db2.gz OAJVIIPCOBZVLL-NQBHXWOUSA-N 2 2 296.371 -0.585 20 0 CBADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NC[C@H](C)[NH+](C)C ZINC001413724792 905178772 /nfs/dbraw/zinc/17/87/72/905178772.db2.gz DFTNEKISYAUSAR-STQMWFEESA-N 2 2 285.436 -0.128 20 0 CBADLP COC(=O)c1cc(C[NH2+]CC(=O)N2CC[NH+](C)CC2)c[nH]1 ZINC001414063059 905347313 /nfs/dbraw/zinc/34/73/13/905347313.db2.gz FUTIOUKCAKKECK-UHFFFAOYSA-N 2 2 294.355 -0.335 20 0 CBADLP C[NH+](C)CCC(=O)N[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001414797895 905515571 /nfs/dbraw/zinc/51/55/71/905515571.db2.gz XSOGKSUYNSRNQL-LLVKDONJSA-N 2 2 293.371 -0.379 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001415252705 905588593 /nfs/dbraw/zinc/58/85/93/905588593.db2.gz OTPKFCHGUIEBGM-LLVKDONJSA-N 2 2 295.387 -0.087 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001415252705 905588598 /nfs/dbraw/zinc/58/85/98/905588598.db2.gz OTPKFCHGUIEBGM-LLVKDONJSA-N 2 2 295.387 -0.087 20 0 CBADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)NC(=O)CC[NH+](C)C ZINC001415253928 905589081 /nfs/dbraw/zinc/58/90/81/905589081.db2.gz YDOHSSGSAMZBRO-SNVBAGLBSA-N 2 2 281.360 -0.475 20 0 CBADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001416897024 905830390 /nfs/dbraw/zinc/83/03/90/905830390.db2.gz WTOIFNRMPNXNES-QWRGUYRKSA-N 2 2 293.371 -0.475 20 0 CBADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001416897024 905830408 /nfs/dbraw/zinc/83/04/08/905830408.db2.gz WTOIFNRMPNXNES-QWRGUYRKSA-N 2 2 293.371 -0.475 20 0 CBADLP C[C@H](CC(N)=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC001417636566 905948956 /nfs/dbraw/zinc/94/89/56/905948956.db2.gz LCQSRRGQWMRGFM-GFCCVEGCSA-N 2 2 298.431 -0.018 20 0 CBADLP C[C@H](CC(N)=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC001417636566 905948966 /nfs/dbraw/zinc/94/89/66/905948966.db2.gz LCQSRRGQWMRGFM-GFCCVEGCSA-N 2 2 298.431 -0.018 20 0 CBADLP C[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)CCc2c[nH]c[nH+]2)C1)C(N)=O ZINC001417789477 906050154 /nfs/dbraw/zinc/05/01/54/906050154.db2.gz ALAAZBSDPJKFEK-CKYFFXLPSA-N 2 2 293.371 -0.300 20 0 CBADLP C[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)CCc2c[nH+]c[nH]2)C1)C(N)=O ZINC001417789477 906050171 /nfs/dbraw/zinc/05/01/71/906050171.db2.gz ALAAZBSDPJKFEK-CKYFFXLPSA-N 2 2 293.371 -0.300 20 0 CBADLP CC[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1)C(N)=O ZINC001417802082 906059767 /nfs/dbraw/zinc/05/97/67/906059767.db2.gz OKOXTDKFWFMTAG-GMTAPVOTSA-N 2 2 293.371 -0.300 20 0 CBADLP COC[C@H](O)C[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001417915254 906103734 /nfs/dbraw/zinc/10/37/34/906103734.db2.gz CMQZELKXVPDTST-CHWSQXEVSA-N 2 2 296.371 -0.529 20 0 CBADLP COC[C@H](O)C[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001417915254 906103745 /nfs/dbraw/zinc/10/37/45/906103745.db2.gz CMQZELKXVPDTST-CHWSQXEVSA-N 2 2 296.371 -0.529 20 0 CBADLP CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001417947808 906118763 /nfs/dbraw/zinc/11/87/63/906118763.db2.gz KYPUGNQMFOBJRQ-GFCCVEGCSA-N 2 2 294.399 -0.591 20 0 CBADLP CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001417947808 906118774 /nfs/dbraw/zinc/11/87/74/906118774.db2.gz KYPUGNQMFOBJRQ-GFCCVEGCSA-N 2 2 294.399 -0.591 20 0 CBADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001418110088 906171502 /nfs/dbraw/zinc/17/15/02/906171502.db2.gz PIKRRRBVHFVYLM-LPEHRKFASA-N 2 2 279.344 -0.690 20 0 CBADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001418110088 906171511 /nfs/dbraw/zinc/17/15/11/906171511.db2.gz PIKRRRBVHFVYLM-LPEHRKFASA-N 2 2 279.344 -0.690 20 0 CBADLP NC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001418122700 906174828 /nfs/dbraw/zinc/17/48/28/906174828.db2.gz GRZCHMVOQATFSO-LBPRGKRZSA-N 2 2 293.371 -0.413 20 0 CBADLP NC(=O)C[N@H+]1CCC[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001418122700 906174835 /nfs/dbraw/zinc/17/48/35/906174835.db2.gz GRZCHMVOQATFSO-LBPRGKRZSA-N 2 2 293.371 -0.413 20 0 CBADLP Cc1ncc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2C[N@H+](C)CCO2)o1 ZINC001418209792 906207403 /nfs/dbraw/zinc/20/74/03/906207403.db2.gz NHHQYKXOEUNKMP-GWCFXTLKSA-N 2 2 296.371 -0.092 20 0 CBADLP Cc1ncc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2C[N@@H+](C)CCO2)o1 ZINC001418209792 906207414 /nfs/dbraw/zinc/20/74/14/906207414.db2.gz NHHQYKXOEUNKMP-GWCFXTLKSA-N 2 2 296.371 -0.092 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NC[C@H](C)[NH2+]Cc1cnon1 ZINC001418261802 906242205 /nfs/dbraw/zinc/24/22/05/906242205.db2.gz YWPFFKNFEKZCKS-VIFPVBQESA-N 2 2 278.316 -0.131 20 0 CBADLP CCN(C)C(=O)C[NH2+][C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001418321229 906278498 /nfs/dbraw/zinc/27/84/98/906278498.db2.gz JXKPYDMXARLITQ-LLVKDONJSA-N 2 2 281.360 -0.544 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001418344058 906291083 /nfs/dbraw/zinc/29/10/83/906291083.db2.gz OCJBQUQPIUGONN-NSHDSACASA-N 2 2 293.371 -0.474 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001418344058 906291093 /nfs/dbraw/zinc/29/10/93/906291093.db2.gz OCJBQUQPIUGONN-NSHDSACASA-N 2 2 293.371 -0.474 20 0 CBADLP C[C@@H]([NH2+][C@@H](C)CCNC(=O)Cc1[nH]cc[nH+]1)C(=O)N(C)C ZINC001418432386 906321431 /nfs/dbraw/zinc/32/14/31/906321431.db2.gz XCEJUNBBQYTMLV-WDEREUQCSA-N 2 2 295.387 -0.087 20 0 CBADLP C[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)CC(=O)N1CCCC1 ZINC001418448092 906328492 /nfs/dbraw/zinc/32/84/92/906328492.db2.gz KFCUQVMJPYODLD-ZDUSSCGKSA-N 2 2 296.415 -0.249 20 0 CBADLP C[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)CC(=O)N1CCCC1 ZINC001418448092 906328500 /nfs/dbraw/zinc/32/85/00/906328500.db2.gz KFCUQVMJPYODLD-ZDUSSCGKSA-N 2 2 296.415 -0.249 20 0 CBADLP C[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)CC(=O)N1CCCC1 ZINC001418448092 906328511 /nfs/dbraw/zinc/32/85/11/906328511.db2.gz KFCUQVMJPYODLD-ZDUSSCGKSA-N 2 2 296.415 -0.249 20 0 CBADLP C[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)CC(=O)N1CCCC1 ZINC001418448092 906328519 /nfs/dbraw/zinc/32/85/19/906328519.db2.gz KFCUQVMJPYODLD-ZDUSSCGKSA-N 2 2 296.415 -0.249 20 0 CBADLP C[C@@H](C(=O)N(C)C)[N@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001418488303 906366425 /nfs/dbraw/zinc/36/64/25/906366425.db2.gz CPYMLELLTAHMCK-STQMWFEESA-N 2 2 298.431 -0.005 20 0 CBADLP C[C@@H](C(=O)N(C)C)[N@@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001418488303 906366442 /nfs/dbraw/zinc/36/64/42/906366442.db2.gz CPYMLELLTAHMCK-STQMWFEESA-N 2 2 298.431 -0.005 20 0 CBADLP C[C@@H](C(=O)N(C)C)[NH+](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001418488303 906366458 /nfs/dbraw/zinc/36/64/58/906366458.db2.gz CPYMLELLTAHMCK-STQMWFEESA-N 2 2 298.431 -0.005 20 0 CBADLP C[C@@H](C(=O)N(C)C)[NH+](C)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001418488303 906366475 /nfs/dbraw/zinc/36/64/75/906366475.db2.gz CPYMLELLTAHMCK-STQMWFEESA-N 2 2 298.431 -0.005 20 0 CBADLP CC[N@H+](CCNC(=O)Cn1cc[nH+]c1C)CC(=O)NC ZINC001418583398 906415450 /nfs/dbraw/zinc/41/54/50/906415450.db2.gz TZWFYJGBYFBDDR-UHFFFAOYSA-N 2 2 281.360 -0.624 20 0 CBADLP CC[N@@H+](CCNC(=O)Cn1cc[nH+]c1C)CC(=O)NC ZINC001418583398 906415455 /nfs/dbraw/zinc/41/54/55/906415455.db2.gz TZWFYJGBYFBDDR-UHFFFAOYSA-N 2 2 281.360 -0.624 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N(C)C[C@H]1CC[NH+]1[C@H](C)C(N)=O ZINC001418601378 906425220 /nfs/dbraw/zinc/42/52/20/906425220.db2.gz LBIYQVYRJNEYOA-VXGBXAGGSA-N 2 2 284.404 -0.267 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N(C)C[C@H]1CC[NH+]1[C@H](C)C(N)=O ZINC001418601378 906425231 /nfs/dbraw/zinc/42/52/31/906425231.db2.gz LBIYQVYRJNEYOA-VXGBXAGGSA-N 2 2 284.404 -0.267 20 0 CBADLP CC(C)[NH+](C)CC(=O)N(C)C[C@H]1CC[N@@H+]1[C@H](C)C(N)=O ZINC001418601378 906425239 /nfs/dbraw/zinc/42/52/39/906425239.db2.gz LBIYQVYRJNEYOA-VXGBXAGGSA-N 2 2 284.404 -0.267 20 0 CBADLP CC(C)[NH+](C)CC(=O)N(C)C[C@H]1CC[N@H+]1[C@H](C)C(N)=O ZINC001418601378 906425247 /nfs/dbraw/zinc/42/52/47/906425247.db2.gz LBIYQVYRJNEYOA-VXGBXAGGSA-N 2 2 284.404 -0.267 20 0 CBADLP NC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001418721173 906457101 /nfs/dbraw/zinc/45/71/01/906457101.db2.gz DAHPVVBJXAIQDN-VHSXEESVSA-N 2 2 279.344 -0.688 20 0 CBADLP C[N@@H+]1CCN(C(=O)CC[NH+]2CC[C@H](F)C2)C[C@@H]1CO ZINC001418912604 906511522 /nfs/dbraw/zinc/51/15/22/906511522.db2.gz ZZUIYJGWKLCOCV-NWDGAFQWSA-N 2 2 273.352 -0.445 20 0 CBADLP C[N@H+]1CCN(C(=O)CC[NH+]2CC[C@H](F)C2)C[C@@H]1CO ZINC001418912604 906511528 /nfs/dbraw/zinc/51/15/28/906511528.db2.gz ZZUIYJGWKLCOCV-NWDGAFQWSA-N 2 2 273.352 -0.445 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@H](F)C2)C[C@@H]1CO ZINC001418912604 906511533 /nfs/dbraw/zinc/51/15/33/906511533.db2.gz ZZUIYJGWKLCOCV-NWDGAFQWSA-N 2 2 273.352 -0.445 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@H](F)C2)C[C@@H]1CO ZINC001418912604 906511542 /nfs/dbraw/zinc/51/15/42/906511542.db2.gz ZZUIYJGWKLCOCV-NWDGAFQWSA-N 2 2 273.352 -0.445 20 0 CBADLP C[N@@H+]1CCN(C(=O)CC[NH+]2CC[C@H](F)C2)C[C@H]1CO ZINC001418912606 906511840 /nfs/dbraw/zinc/51/18/40/906511840.db2.gz ZZUIYJGWKLCOCV-RYUDHWBXSA-N 2 2 273.352 -0.445 20 0 CBADLP C[N@H+]1CCN(C(=O)CC[NH+]2CC[C@H](F)C2)C[C@H]1CO ZINC001418912606 906511848 /nfs/dbraw/zinc/51/18/48/906511848.db2.gz ZZUIYJGWKLCOCV-RYUDHWBXSA-N 2 2 273.352 -0.445 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@H](F)C2)C[C@H]1CO ZINC001418912606 906511859 /nfs/dbraw/zinc/51/18/59/906511859.db2.gz ZZUIYJGWKLCOCV-RYUDHWBXSA-N 2 2 273.352 -0.445 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@H](F)C2)C[C@H]1CO ZINC001418912606 906511868 /nfs/dbraw/zinc/51/18/68/906511868.db2.gz ZZUIYJGWKLCOCV-RYUDHWBXSA-N 2 2 273.352 -0.445 20 0 CBADLP C[C@H](O)CCC[NH+]1CC(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001418995643 906551625 /nfs/dbraw/zinc/55/16/25/906551625.db2.gz VOENSXAOPKFIQK-ZDUSSCGKSA-N 2 2 299.415 -0.330 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001419020619 906567248 /nfs/dbraw/zinc/56/72/48/906567248.db2.gz FDMTZKVLTAVCMQ-JTQLQIEISA-N 2 2 282.388 -0.608 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001419020619 906567255 /nfs/dbraw/zinc/56/72/55/906567255.db2.gz FDMTZKVLTAVCMQ-JTQLQIEISA-N 2 2 282.388 -0.608 20 0 CBADLP CCN(C)C(=O)C[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001419037113 906569848 /nfs/dbraw/zinc/56/98/48/906569848.db2.gz FCCSASZCWFJQSP-CYBMUJFWSA-N 2 2 296.415 -0.536 20 0 CBADLP CCN(C)C(=O)C[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001419037113 906569863 /nfs/dbraw/zinc/56/98/63/906569863.db2.gz FCCSASZCWFJQSP-CYBMUJFWSA-N 2 2 296.415 -0.536 20 0 CBADLP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1nnn(C)n1 ZINC001419292137 906658992 /nfs/dbraw/zinc/65/89/92/906658992.db2.gz WWUMTZWPAOEMSL-MNOVXSKESA-N 2 2 295.391 -0.854 20 0 CBADLP CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1nnn(C)n1 ZINC001419292137 906658997 /nfs/dbraw/zinc/65/89/97/906658997.db2.gz WWUMTZWPAOEMSL-MNOVXSKESA-N 2 2 295.391 -0.854 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@@H]([NH2+][C@@H]1CCNC1=O)C1CC1 ZINC001419322836 906662373 /nfs/dbraw/zinc/66/23/73/906662373.db2.gz JUXOFWCJFPFGDB-VXGBXAGGSA-N 2 2 291.355 -0.744 20 0 CBADLP CN(C)C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001419478884 906701542 /nfs/dbraw/zinc/70/15/42/906701542.db2.gz IEPGMVUIXJVVTG-TXEJJXNPSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@H](CNC(=O)c1cccc2[nH+]ccn21)C[NH2+]CC(N)=O ZINC001419486121 906702163 /nfs/dbraw/zinc/70/21/63/906702163.db2.gz PTCWRNMYXVITJB-JTQLQIEISA-N 2 2 289.339 -0.225 20 0 CBADLP CC[C@H]([NH2+]C[C@@H](C)CNC(=O)Cc1[nH]c[nH+]c1C)C(N)=O ZINC001419528539 906714724 /nfs/dbraw/zinc/71/47/24/906714724.db2.gz QAGIDONPXVRLQK-KOLCDFICSA-N 2 2 295.387 -0.134 20 0 CBADLP CC[C@@H]([NH2+]C[C@@H](C)CNC(=O)Cc1[nH]c[nH+]c1C)C(N)=O ZINC001419528541 906717212 /nfs/dbraw/zinc/71/72/12/906717212.db2.gz QAGIDONPXVRLQK-MWLCHTKSSA-N 2 2 295.387 -0.134 20 0 CBADLP CC[C@@H]([NH2+]C[C@@H](C)CNC(=O)Cc1c[nH+]cn1C)C(N)=O ZINC001419547364 906722196 /nfs/dbraw/zinc/72/21/96/906722196.db2.gz VCEHTASNYLAQLE-ZYHUDNBSSA-N 2 2 295.387 -0.432 20 0 CBADLP COCC[N@@H+]1CCO[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001419563382 906729204 /nfs/dbraw/zinc/72/92/04/906729204.db2.gz FEPYSJBQZKYLME-CYBMUJFWSA-N 2 2 299.415 -0.208 20 0 CBADLP COCC[N@H+]1CCO[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001419563382 906729218 /nfs/dbraw/zinc/72/92/18/906729218.db2.gz FEPYSJBQZKYLME-CYBMUJFWSA-N 2 2 299.415 -0.208 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CCO)CCO1 ZINC001419579897 906738667 /nfs/dbraw/zinc/73/86/67/906738667.db2.gz LHTQHMPWBYRASK-GFCCVEGCSA-N 2 2 273.377 -0.864 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](CCO)CCO1 ZINC001419579897 906738677 /nfs/dbraw/zinc/73/86/77/906738677.db2.gz LHTQHMPWBYRASK-GFCCVEGCSA-N 2 2 273.377 -0.864 20 0 CBADLP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001419579897 906738689 /nfs/dbraw/zinc/73/86/89/906738689.db2.gz LHTQHMPWBYRASK-GFCCVEGCSA-N 2 2 273.377 -0.864 20 0 CBADLP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001419579897 906738702 /nfs/dbraw/zinc/73/87/02/906738702.db2.gz LHTQHMPWBYRASK-GFCCVEGCSA-N 2 2 273.377 -0.864 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)CCn1cc[nH+]c1 ZINC001419693958 906768578 /nfs/dbraw/zinc/76/85/78/906768578.db2.gz BVHDNUWCVBWZMM-NEPJUHHUSA-N 2 2 295.387 -0.156 20 0 CBADLP CCCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001419728340 906786529 /nfs/dbraw/zinc/78/65/29/906786529.db2.gz VIOGFFRYXWFTLK-NSHDSACASA-N 2 2 295.387 -0.085 20 0 CBADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@H]1CCCNC1=O ZINC001419894420 906850211 /nfs/dbraw/zinc/85/02/11/906850211.db2.gz KIHLMAHYMHQNPO-UWVGGRQHSA-N 2 2 279.344 -0.675 20 0 CBADLP CNC(=O)C[N@@H+]1CCCN(C(=O)C[NH2+]C(C)(C)C)CC1 ZINC001419911677 906855103 /nfs/dbraw/zinc/85/51/03/906855103.db2.gz QLHVTAKROIXCQR-UHFFFAOYSA-N 2 2 284.404 -0.345 20 0 CBADLP CNC(=O)C[N@H+]1CCCN(C(=O)C[NH2+]C(C)(C)C)CC1 ZINC001419911677 906855115 /nfs/dbraw/zinc/85/51/15/906855115.db2.gz QLHVTAKROIXCQR-UHFFFAOYSA-N 2 2 284.404 -0.345 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@H](CNC(=O)Cn1cc[nH+]c1)C(C)C ZINC001419944976 906867625 /nfs/dbraw/zinc/86/76/25/906867625.db2.gz VRAPYSZEUXSJBY-VXGBXAGGSA-N 2 2 295.387 -0.252 20 0 CBADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CCc1cnn(C)c1 ZINC001419951410 906870431 /nfs/dbraw/zinc/87/04/31/906870431.db2.gz BPLLKACWNGBHCQ-GFCCVEGCSA-N 2 2 290.371 -0.046 20 0 CBADLP CNC(=O)C[N@H+](C)CCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001419990727 906888950 /nfs/dbraw/zinc/88/89/50/906888950.db2.gz IALFMJHUVSQOBJ-UHFFFAOYSA-N 2 2 298.431 -0.003 20 0 CBADLP CNC(=O)C[N@@H+](C)CCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001419990727 906888957 /nfs/dbraw/zinc/88/89/57/906888957.db2.gz IALFMJHUVSQOBJ-UHFFFAOYSA-N 2 2 298.431 -0.003 20 0 CBADLP C[C@H](CCNC(=O)c1cccc2[nH+]ccn21)[NH2+]CC(N)=O ZINC001420091588 906929255 /nfs/dbraw/zinc/92/92/55/906929255.db2.gz HMRSLRIXVACIHA-SNVBAGLBSA-N 2 2 289.339 -0.082 20 0 CBADLP COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C12CC[NH+](CC1)C2 ZINC001420143224 906968827 /nfs/dbraw/zinc/96/88/27/906968827.db2.gz PZVWTLQIZAPOGR-LLVKDONJSA-N 2 2 292.339 -0.294 20 0 CBADLP COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C12CC[NH+](CC1)C2 ZINC001420143224 906968841 /nfs/dbraw/zinc/96/88/41/906968841.db2.gz PZVWTLQIZAPOGR-LLVKDONJSA-N 2 2 292.339 -0.294 20 0 CBADLP O=C(NC[C@H](O)C[NH2+]CC1CC1)[C@H]1CCc2[nH+]ccn2C1 ZINC001420143818 906972432 /nfs/dbraw/zinc/97/24/32/906972432.db2.gz KLUORLNRKBOJNK-QWHCGFSZSA-N 2 2 292.383 -0.078 20 0 CBADLP CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)Cn1cc[nH+]c1 ZINC001420167897 906978555 /nfs/dbraw/zinc/97/85/55/906978555.db2.gz HTHHAMQXBLQHPX-NSHDSACASA-N 2 2 281.360 -0.496 20 0 CBADLP C[N@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)Cc1cccnc1 ZINC001420200059 907004695 /nfs/dbraw/zinc/00/46/95/907004695.db2.gz ZABHLVOQMIQMOD-AWEZNQCLSA-N 2 2 292.383 -0.040 20 0 CBADLP C[N@@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)Cc1cccnc1 ZINC001420200059 907004711 /nfs/dbraw/zinc/00/47/11/907004711.db2.gz ZABHLVOQMIQMOD-AWEZNQCLSA-N 2 2 292.383 -0.040 20 0 CBADLP C[NH+](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)Cc1cccnc1 ZINC001420200059 907004731 /nfs/dbraw/zinc/00/47/31/907004731.db2.gz ZABHLVOQMIQMOD-AWEZNQCLSA-N 2 2 292.383 -0.040 20 0 CBADLP C[NH+](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)Cc1cccnc1 ZINC001420200059 907004748 /nfs/dbraw/zinc/00/47/48/907004748.db2.gz ZABHLVOQMIQMOD-AWEZNQCLSA-N 2 2 292.383 -0.040 20 0 CBADLP Cc1cnc(C[NH2+]C[C@@H](O)CNC(=O)C[N@@H+](C)C(C)C)o1 ZINC001420217036 907022444 /nfs/dbraw/zinc/02/24/44/907022444.db2.gz RPNQMSKUHLCQGV-GFCCVEGCSA-N 2 2 298.387 -0.110 20 0 CBADLP Cc1cnc(C[NH2+]C[C@@H](O)CNC(=O)C[N@H+](C)C(C)C)o1 ZINC001420217036 907022476 /nfs/dbraw/zinc/02/24/76/907022476.db2.gz RPNQMSKUHLCQGV-GFCCVEGCSA-N 2 2 298.387 -0.110 20 0 CBADLP C[NH+](C)CCC(=O)NCC[N@H+](C)CC(=O)NC1CC1 ZINC001420288194 907070650 /nfs/dbraw/zinc/07/06/50/907070650.db2.gz FKIFFOOAFNIZNL-UHFFFAOYSA-N 2 2 270.377 -0.735 20 0 CBADLP C[NH+](C)CCC(=O)NCC[N@@H+](C)CC(=O)NC1CC1 ZINC001420288194 907070663 /nfs/dbraw/zinc/07/06/63/907070663.db2.gz FKIFFOOAFNIZNL-UHFFFAOYSA-N 2 2 270.377 -0.735 20 0 CBADLP CC1CC[NH+](CC(=O)NCC[N@H+](C)[C@H]2CCNC2=O)CC1 ZINC001420321520 907096595 /nfs/dbraw/zinc/09/65/95/907096595.db2.gz YEIHROIGZRFNIT-ZDUSSCGKSA-N 2 2 296.415 -0.345 20 0 CBADLP CC1CC[NH+](CC(=O)NCC[N@@H+](C)[C@H]2CCNC2=O)CC1 ZINC001420321520 907096615 /nfs/dbraw/zinc/09/66/15/907096615.db2.gz YEIHROIGZRFNIT-ZDUSSCGKSA-N 2 2 296.415 -0.345 20 0 CBADLP C[C@H](C[NH2+]Cc1ccon1)NC(=O)CC[NH+]1CCOCC1 ZINC001420338156 907108051 /nfs/dbraw/zinc/10/80/51/907108051.db2.gz OFHYBKPWTLIYBL-GFCCVEGCSA-N 2 2 296.371 -0.009 20 0 CBADLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC[NH+](C)CC(N)=O ZINC001420349781 907115502 /nfs/dbraw/zinc/11/55/02/907115502.db2.gz LEFXZWXAVBQBDP-PHIMTYICSA-N 2 2 270.377 -0.608 20 0 CBADLP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NCC[N@H+](C)CC(N)=O ZINC001420349781 907115506 /nfs/dbraw/zinc/11/55/06/907115506.db2.gz LEFXZWXAVBQBDP-PHIMTYICSA-N 2 2 270.377 -0.608 20 0 CBADLP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NCC[N@@H+](C)CC(N)=O ZINC001420349781 907115509 /nfs/dbraw/zinc/11/55/09/907115509.db2.gz LEFXZWXAVBQBDP-PHIMTYICSA-N 2 2 270.377 -0.608 20 0 CBADLP C[C@@H]([NH2+]C[C@H](C)NC(=O)CCc1c[nH]c[nH+]1)C(=O)N(C)C ZINC001420429906 907159549 /nfs/dbraw/zinc/15/95/49/907159549.db2.gz SRJWLHUUUWGJSB-WDEREUQCSA-N 2 2 295.387 -0.087 20 0 CBADLP C[C@@H]([NH2+]C[C@H](C)NC(=O)CCc1c[nH+]c[nH]1)C(=O)N(C)C ZINC001420429906 907159560 /nfs/dbraw/zinc/15/95/60/907159560.db2.gz SRJWLHUUUWGJSB-WDEREUQCSA-N 2 2 295.387 -0.087 20 0 CBADLP CCCNC(=O)C[NH2+]C[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001420497677 907184660 /nfs/dbraw/zinc/18/46/60/907184660.db2.gz IUFVKZQSUAKCFK-JTQLQIEISA-N 2 2 295.387 -0.119 20 0 CBADLP C[C@@H]([NH2+]C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)C1CC1)C(N)=O ZINC001420772428 907299023 /nfs/dbraw/zinc/29/90/23/907299023.db2.gz QKNOCFZMMVMADM-LDYMZIIASA-N 2 2 279.344 -0.690 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001420831470 907312635 /nfs/dbraw/zinc/31/26/35/907312635.db2.gz FFAUPEXAKFVWSU-YPMHNXCESA-N 2 2 296.415 -0.204 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001420831470 907312645 /nfs/dbraw/zinc/31/26/45/907312645.db2.gz FFAUPEXAKFVWSU-YPMHNXCESA-N 2 2 296.415 -0.204 20 0 CBADLP CNC(=O)[C@@H](C)[NH+]1CC[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001420831470 907312666 /nfs/dbraw/zinc/31/26/66/907312666.db2.gz FFAUPEXAKFVWSU-YPMHNXCESA-N 2 2 296.415 -0.204 20 0 CBADLP CNC(=O)[C@@H](C)[NH+]1CC[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001420831470 907312684 /nfs/dbraw/zinc/31/26/84/907312684.db2.gz FFAUPEXAKFVWSU-YPMHNXCESA-N 2 2 296.415 -0.204 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001420831462 907314618 /nfs/dbraw/zinc/31/46/18/907314618.db2.gz FFAUPEXAKFVWSU-DGCLKSJQSA-N 2 2 296.415 -0.204 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+]1CC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001420831462 907314636 /nfs/dbraw/zinc/31/46/36/907314636.db2.gz FFAUPEXAKFVWSU-DGCLKSJQSA-N 2 2 296.415 -0.204 20 0 CBADLP CNC(=O)[C@@H](C)[NH+]1CC[C@@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001420831462 907314653 /nfs/dbraw/zinc/31/46/53/907314653.db2.gz FFAUPEXAKFVWSU-DGCLKSJQSA-N 2 2 296.415 -0.204 20 0 CBADLP CNC(=O)[C@@H](C)[NH+]1CC[C@@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001420831462 907314671 /nfs/dbraw/zinc/31/46/71/907314671.db2.gz FFAUPEXAKFVWSU-DGCLKSJQSA-N 2 2 296.415 -0.204 20 0 CBADLP CC[N@H+](C)CCC(=O)NC[C@@H]1CC[NH+]1[C@@H](C)C(=O)N(C)C ZINC001420870631 907332355 /nfs/dbraw/zinc/33/23/55/907332355.db2.gz JWGFANJAANWLTJ-STQMWFEESA-N 2 2 298.431 -0.005 20 0 CBADLP CC[N@@H+](C)CCC(=O)NC[C@@H]1CC[NH+]1[C@@H](C)C(=O)N(C)C ZINC001420870631 907332370 /nfs/dbraw/zinc/33/23/70/907332370.db2.gz JWGFANJAANWLTJ-STQMWFEESA-N 2 2 298.431 -0.005 20 0 CBADLP CC[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)N(C)C ZINC001420870631 907332385 /nfs/dbraw/zinc/33/23/85/907332385.db2.gz JWGFANJAANWLTJ-STQMWFEESA-N 2 2 298.431 -0.005 20 0 CBADLP CC[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+]1[C@@H](C)C(=O)N(C)C ZINC001420870631 907332398 /nfs/dbraw/zinc/33/23/98/907332398.db2.gz JWGFANJAANWLTJ-STQMWFEESA-N 2 2 298.431 -0.005 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NCC[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001420899501 907341229 /nfs/dbraw/zinc/34/12/29/907341229.db2.gz VMRFTTZHKYMTAD-LLVKDONJSA-N 2 2 293.371 -0.724 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NCC[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001420899501 907341253 /nfs/dbraw/zinc/34/12/53/907341253.db2.gz VMRFTTZHKYMTAD-LLVKDONJSA-N 2 2 293.371 -0.724 20 0 CBADLP CCC[N@H+](C)CC(=O)NC[C@H]1CC[NH+]1[C@@H]1CCN(C)C1=O ZINC001420896014 907344676 /nfs/dbraw/zinc/34/46/76/907344676.db2.gz PIUYNPVFJADMBL-CHWSQXEVSA-N 2 2 296.415 -0.251 20 0 CBADLP CCC[N@@H+](C)CC(=O)NC[C@H]1CC[NH+]1[C@@H]1CCN(C)C1=O ZINC001420896014 907344689 /nfs/dbraw/zinc/34/46/89/907344689.db2.gz PIUYNPVFJADMBL-CHWSQXEVSA-N 2 2 296.415 -0.251 20 0 CBADLP CCC[NH+](C)CC(=O)NC[C@H]1CC[N@@H+]1[C@@H]1CCN(C)C1=O ZINC001420896014 907344706 /nfs/dbraw/zinc/34/47/06/907344706.db2.gz PIUYNPVFJADMBL-CHWSQXEVSA-N 2 2 296.415 -0.251 20 0 CBADLP CCC[NH+](C)CC(=O)NC[C@H]1CC[N@H+]1[C@@H]1CCN(C)C1=O ZINC001420896014 907344716 /nfs/dbraw/zinc/34/47/16/907344716.db2.gz PIUYNPVFJADMBL-CHWSQXEVSA-N 2 2 296.415 -0.251 20 0 CBADLP COC[C@@H](O)C[N@@H+]1CC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001420906767 907349022 /nfs/dbraw/zinc/34/90/22/907349022.db2.gz AEKIFWSQIWJCJZ-RYUDHWBXSA-N 2 2 282.344 -0.919 20 0 CBADLP COC[C@@H](O)C[N@H+]1CC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001420906767 907349042 /nfs/dbraw/zinc/34/90/42/907349042.db2.gz AEKIFWSQIWJCJZ-RYUDHWBXSA-N 2 2 282.344 -0.919 20 0 CBADLP CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001421003540 907386704 /nfs/dbraw/zinc/38/67/04/907386704.db2.gz UBTLGLSVRAJDSD-LBPRGKRZSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[N@H+]1CCC[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001421003540 907386714 /nfs/dbraw/zinc/38/67/14/907386714.db2.gz UBTLGLSVRAJDSD-LBPRGKRZSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001421003540 907386748 /nfs/dbraw/zinc/38/67/48/907386748.db2.gz UBTLGLSVRAJDSD-LBPRGKRZSA-N 2 2 296.415 -0.203 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]1C[NH2+][C@H](C)C(N)=O ZINC001421143080 907444556 /nfs/dbraw/zinc/44/45/56/907444556.db2.gz XENPNTXTLIQJBR-MNOVXSKESA-N 2 2 293.371 -0.285 20 0 CBADLP O=C(CC[NH+]1CCOCC1)NCC1C[NH+](CCF)C1 ZINC001421173741 907451360 /nfs/dbraw/zinc/45/13/60/907451360.db2.gz SZHLIQBBBKDHRW-UHFFFAOYSA-N 2 2 273.352 -0.274 20 0 CBADLP C[C@]1(CNC(=O)Cn2cc[nH+]c2)CCC[N@H+](CC(N)=O)C1 ZINC001421291330 907482952 /nfs/dbraw/zinc/48/29/52/907482952.db2.gz CLKZPWFVLSELHZ-CQSZACIVSA-N 2 2 293.371 -0.413 20 0 CBADLP C[C@]1(CNC(=O)Cn2cc[nH+]c2)CCC[N@@H+](CC(N)=O)C1 ZINC001421291330 907482958 /nfs/dbraw/zinc/48/29/58/907482958.db2.gz CLKZPWFVLSELHZ-CQSZACIVSA-N 2 2 293.371 -0.413 20 0 CBADLP CC[C@@H](CNC(=O)C(C)(C)n1c[nH+]c(C)c1)[NH2+]CC(N)=O ZINC001421418296 907538999 /nfs/dbraw/zinc/53/89/99/907538999.db2.gz IDGWZHLZIKDHSL-NSHDSACASA-N 2 2 295.387 -0.104 20 0 CBADLP COC[C@H](C)[NH+]1CC(O)(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001421457068 907556964 /nfs/dbraw/zinc/55/69/64/907556964.db2.gz MLGDCIZJYLBTER-QWHCGFSZSA-N 2 2 299.415 -0.332 20 0 CBADLP COC[C@H](C)[NH+]1CC(O)(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001421457068 907556973 /nfs/dbraw/zinc/55/69/73/907556973.db2.gz MLGDCIZJYLBTER-QWHCGFSZSA-N 2 2 299.415 -0.332 20 0 CBADLP CC[C@H](C(=O)NCC1(O)C[NH+]([C@H](C)COC)C1)[NH+](C)C ZINC001421489599 907567082 /nfs/dbraw/zinc/56/70/82/907567082.db2.gz FMIXUTDYFMHRGQ-VXGBXAGGSA-N 2 2 287.404 -0.476 20 0 CBADLP COCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001502079380 921336225 /nfs/dbraw/zinc/33/62/25/921336225.db2.gz OWMGZVGPZLSNBL-GFCCVEGCSA-N 2 2 282.344 -0.584 20 0 CBADLP CC[N@@H+]1CCC[C@](CO)(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001421622158 907595135 /nfs/dbraw/zinc/59/51/35/907595135.db2.gz RUSQZVGMMXAVJW-AWEZNQCLSA-N 2 2 280.372 -0.074 20 0 CBADLP CC[N@H+]1CCC[C@](CO)(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001421622158 907595143 /nfs/dbraw/zinc/59/51/43/907595143.db2.gz RUSQZVGMMXAVJW-AWEZNQCLSA-N 2 2 280.372 -0.074 20 0 CBADLP COCC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001502097637 921338005 /nfs/dbraw/zinc/33/80/05/921338005.db2.gz ROFIOWMPTGEZOO-LBPRGKRZSA-N 2 2 282.344 -0.654 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]C[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001421724887 907624934 /nfs/dbraw/zinc/62/49/34/907624934.db2.gz HMQMJOWZAQMFBK-VHSXEESVSA-N 2 2 281.360 -0.571 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001421730611 907629320 /nfs/dbraw/zinc/62/93/20/907629320.db2.gz LOZSZVUFCWRASW-GMTAPVOTSA-N 2 2 293.371 -0.399 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001421730611 907629325 /nfs/dbraw/zinc/62/93/25/907629325.db2.gz LOZSZVUFCWRASW-GMTAPVOTSA-N 2 2 293.371 -0.399 20 0 CBADLP CCN(C)C(=O)C[NH2+]C[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001421768652 907635683 /nfs/dbraw/zinc/63/56/83/907635683.db2.gz LOYMBEDNWFBZEK-LBPRGKRZSA-N 2 2 295.387 -0.297 20 0 CBADLP CCN(C)C(=O)C[NH2+]C[C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001421768651 907636961 /nfs/dbraw/zinc/63/69/61/907636961.db2.gz LOYMBEDNWFBZEK-GFCCVEGCSA-N 2 2 295.387 -0.297 20 0 CBADLP C[N@H+](CC(=O)NC[C@H]1C[NH+](CCCO)CCO1)C1CCC1 ZINC001421813510 907654141 /nfs/dbraw/zinc/65/41/41/907654141.db2.gz YNHXDXVHZAXADU-AWEZNQCLSA-N 2 2 299.415 -0.330 20 0 CBADLP C[N@@H+](CC(=O)NC[C@H]1C[NH+](CCCO)CCO1)C1CCC1 ZINC001421813510 907654152 /nfs/dbraw/zinc/65/41/52/907654152.db2.gz YNHXDXVHZAXADU-AWEZNQCLSA-N 2 2 299.415 -0.330 20 0 CBADLP C[NH+](CC(=O)NC[C@H]1C[N@H+](CCCO)CCO1)C1CCC1 ZINC001421813510 907654163 /nfs/dbraw/zinc/65/41/63/907654163.db2.gz YNHXDXVHZAXADU-AWEZNQCLSA-N 2 2 299.415 -0.330 20 0 CBADLP COC[C@@H](O)C[NH2+]C[C@@H](C)N(C)C(=O)Cc1c[nH+]cn1C ZINC001421998274 907703078 /nfs/dbraw/zinc/70/30/78/907703078.db2.gz UCTUJBFCIIOSTR-YPMHNXCESA-N 2 2 298.387 -0.594 20 0 CBADLP CNC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC001422057272 907708993 /nfs/dbraw/zinc/70/89/93/907708993.db2.gz XHOQTBKVQYOVFN-JOYOIKCWSA-N 2 2 293.371 -0.557 20 0 CBADLP CC(C)[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@H](C)C(N)=O ZINC001422141389 907726414 /nfs/dbraw/zinc/72/64/14/907726414.db2.gz WHNRSAHSZFPBIY-NXEZZACHSA-N 2 2 281.360 -0.444 20 0 CBADLP CN(C)C(=O)C[N@H+](C)CCN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001422174033 907737955 /nfs/dbraw/zinc/73/79/55/907737955.db2.gz IKLNZCWTCGAJPT-CYBMUJFWSA-N 2 2 298.431 -0.051 20 0 CBADLP CN(C)C(=O)C[N@@H+](C)CCN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001422174033 907737965 /nfs/dbraw/zinc/73/79/65/907737965.db2.gz IKLNZCWTCGAJPT-CYBMUJFWSA-N 2 2 298.431 -0.051 20 0 CBADLP CN(C)C(=O)C[NH+](C)CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001422174033 907737973 /nfs/dbraw/zinc/73/79/73/907737973.db2.gz IKLNZCWTCGAJPT-CYBMUJFWSA-N 2 2 298.431 -0.051 20 0 CBADLP CN(C)C(=O)C[NH+](C)CCN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001422174033 907737980 /nfs/dbraw/zinc/73/79/80/907737980.db2.gz IKLNZCWTCGAJPT-CYBMUJFWSA-N 2 2 298.431 -0.051 20 0 CBADLP Cc1noc([C@@H](C)[NH2+]C[C@H](O)CNC(=O)CC[NH+](C)C)n1 ZINC001422350063 907814672 /nfs/dbraw/zinc/81/46/72/907814672.db2.gz RVYDYMUVQZZAAW-KOLCDFICSA-N 2 2 299.375 -0.543 20 0 CBADLP Cc1noc([C@H](C)[NH2+]C[C@H](O)CNC(=O)CC[NH+](C)C)n1 ZINC001422350074 907816016 /nfs/dbraw/zinc/81/60/16/907816016.db2.gz RVYDYMUVQZZAAW-ONGXEEELSA-N 2 2 299.375 -0.543 20 0 CBADLP O=C(NC[C@H](O)C[NH2+]CC1CC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001422353756 907820758 /nfs/dbraw/zinc/82/07/58/907820758.db2.gz RNBUABVDNNVHRJ-CHWSQXEVSA-N 2 2 292.383 -0.078 20 0 CBADLP CO[C@H](C)C[NH+]1CC2(C1)CN(C(=O)CC[NH+](C)C)CCO2 ZINC001502419751 921355670 /nfs/dbraw/zinc/35/56/70/921355670.db2.gz CNLZYXGJOIRJPI-CYBMUJFWSA-N 2 2 299.415 -0.114 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@H](O)C[NH2+]C[C@H]1CCOC1 ZINC001422372175 907828707 /nfs/dbraw/zinc/82/87/07/907828707.db2.gz PSIORDHRNHRBDM-PWSUYJOCSA-N 2 2 282.344 -0.945 20 0 CBADLP CCCNC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001422371209 907830243 /nfs/dbraw/zinc/83/02/43/907830243.db2.gz HOWNICXEKWKMNX-GHMZBOCLSA-N 2 2 295.387 -0.039 20 0 CBADLP C[C@@H]([NH2+]CC[C@H](C)NC(=O)CCc1c[nH]c[nH+]1)C(N)=O ZINC001422420677 907849060 /nfs/dbraw/zinc/84/90/60/907849060.db2.gz QWDQMTKJTLYWSJ-VHSXEESVSA-N 2 2 281.360 -0.300 20 0 CBADLP C[C@@H]([NH2+]CC[C@H](C)NC(=O)CCc1c[nH+]c[nH]1)C(N)=O ZINC001422420677 907849075 /nfs/dbraw/zinc/84/90/75/907849075.db2.gz QWDQMTKJTLYWSJ-VHSXEESVSA-N 2 2 281.360 -0.300 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@]2(CCOC2=O)C1 ZINC001422506234 907896647 /nfs/dbraw/zinc/89/66/47/907896647.db2.gz VNHQPDQGNGYZMX-JSGCOSHPSA-N 2 2 286.372 -0.436 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@]2(CCOC2=O)C1 ZINC001422506234 907896658 /nfs/dbraw/zinc/89/66/58/907896658.db2.gz VNHQPDQGNGYZMX-JSGCOSHPSA-N 2 2 286.372 -0.436 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@]2(CCOC2=O)C1 ZINC001422506234 907896671 /nfs/dbraw/zinc/89/66/71/907896671.db2.gz VNHQPDQGNGYZMX-JSGCOSHPSA-N 2 2 286.372 -0.436 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@]2(CCOC2=O)C1 ZINC001422506234 907896678 /nfs/dbraw/zinc/89/66/78/907896678.db2.gz VNHQPDQGNGYZMX-JSGCOSHPSA-N 2 2 286.372 -0.436 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@]2(CCOC2=O)C1 ZINC001422506244 907898677 /nfs/dbraw/zinc/89/86/77/907898677.db2.gz VNHQPDQGNGYZMX-TZMCWYRMSA-N 2 2 286.372 -0.436 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@]2(CCOC2=O)C1 ZINC001422506244 907898687 /nfs/dbraw/zinc/89/86/87/907898687.db2.gz VNHQPDQGNGYZMX-TZMCWYRMSA-N 2 2 286.372 -0.436 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@]2(CCOC2=O)C1 ZINC001422506244 907898703 /nfs/dbraw/zinc/89/87/03/907898703.db2.gz VNHQPDQGNGYZMX-TZMCWYRMSA-N 2 2 286.372 -0.436 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@]2(CCOC2=O)C1 ZINC001422506244 907898714 /nfs/dbraw/zinc/89/87/14/907898714.db2.gz VNHQPDQGNGYZMX-TZMCWYRMSA-N 2 2 286.372 -0.436 20 0 CBADLP CNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001422568451 907926012 /nfs/dbraw/zinc/92/60/12/907926012.db2.gz GCHHNEQATYWDNT-ZDUSSCGKSA-N 2 2 298.431 -0.099 20 0 CBADLP CNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001422568451 907926017 /nfs/dbraw/zinc/92/60/17/907926017.db2.gz GCHHNEQATYWDNT-ZDUSSCGKSA-N 2 2 298.431 -0.099 20 0 CBADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[N@H+](C)CCn1cncn1 ZINC001422577399 907930855 /nfs/dbraw/zinc/93/08/55/907930855.db2.gz VAETYNRSRCLVGT-LLVKDONJSA-N 2 2 291.359 -0.320 20 0 CBADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[N@@H+](C)CCn1cncn1 ZINC001422577399 907930868 /nfs/dbraw/zinc/93/08/68/907930868.db2.gz VAETYNRSRCLVGT-LLVKDONJSA-N 2 2 291.359 -0.320 20 0 CBADLP CC(C)N(C)C(=O)C[NH2+]C[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001422713137 907982346 /nfs/dbraw/zinc/98/23/46/907982346.db2.gz HMDBPAYLDRALLD-NSHDSACASA-N 2 2 295.387 -0.087 20 0 CBADLP C[C@@H](C[NH2+]CC(=O)N(C)C)NC(=O)Cc1c[nH+]cn1C ZINC001422728165 907987792 /nfs/dbraw/zinc/98/77/92/907987792.db2.gz HUGQDDZLYPEGKS-JTQLQIEISA-N 2 2 281.360 -0.855 20 0 CBADLP CC[N@H+](C)CCC(=O)N[C@H]1C[NH+](CC(N)=O)CC1(C)C ZINC001422800177 908018338 /nfs/dbraw/zinc/01/83/38/908018338.db2.gz GGSAWNGKKPNAKX-NSHDSACASA-N 2 2 284.404 -0.360 20 0 CBADLP CC[N@@H+](C)CCC(=O)N[C@H]1C[NH+](CC(N)=O)CC1(C)C ZINC001422800177 908018355 /nfs/dbraw/zinc/01/83/55/908018355.db2.gz GGSAWNGKKPNAKX-NSHDSACASA-N 2 2 284.404 -0.360 20 0 CBADLP CC[NH+](C)CCC(=O)N[C@H]1C[N@H+](CC(N)=O)CC1(C)C ZINC001422800177 908018371 /nfs/dbraw/zinc/01/83/71/908018371.db2.gz GGSAWNGKKPNAKX-NSHDSACASA-N 2 2 284.404 -0.360 20 0 CBADLP CC[NH+](C)CCC(=O)N[C@H]1C[N@@H+](CC(N)=O)CC1(C)C ZINC001422800177 908018386 /nfs/dbraw/zinc/01/83/86/908018386.db2.gz GGSAWNGKKPNAKX-NSHDSACASA-N 2 2 284.404 -0.360 20 0 CBADLP C[N@H+](CC(=O)N[C@H]1C[NH+](CC(N)=O)CC1(C)C)C1CCC1 ZINC001422797443 908018653 /nfs/dbraw/zinc/01/86/53/908018653.db2.gz OGBDWIUEWPIJCK-LBPRGKRZSA-N 2 2 296.415 -0.217 20 0 CBADLP C[N@@H+](CC(=O)N[C@H]1C[NH+](CC(N)=O)CC1(C)C)C1CCC1 ZINC001422797443 908018663 /nfs/dbraw/zinc/01/86/63/908018663.db2.gz OGBDWIUEWPIJCK-LBPRGKRZSA-N 2 2 296.415 -0.217 20 0 CBADLP C[NH+](CC(=O)N[C@H]1C[N@H+](CC(N)=O)CC1(C)C)C1CCC1 ZINC001422797443 908018676 /nfs/dbraw/zinc/01/86/76/908018676.db2.gz OGBDWIUEWPIJCK-LBPRGKRZSA-N 2 2 296.415 -0.217 20 0 CBADLP C[NH+](CC(=O)N[C@H]1C[N@@H+](CC(N)=O)CC1(C)C)C1CCC1 ZINC001422797443 908018691 /nfs/dbraw/zinc/01/86/91/908018691.db2.gz OGBDWIUEWPIJCK-LBPRGKRZSA-N 2 2 296.415 -0.217 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001423029896 908085317 /nfs/dbraw/zinc/08/53/17/908085317.db2.gz XBJPETBDLPBOSX-BXKDBHETSA-N 2 2 293.371 -0.429 20 0 CBADLP C[C@@H](CN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1)[NH2+]CCO ZINC001423083448 908102174 /nfs/dbraw/zinc/10/21/74/908102174.db2.gz NEUUCMAYTVLTQM-RYUDHWBXSA-N 2 2 280.372 -0.126 20 0 CBADLP C[C@H](CN(C)C(=O)CCn1cc[nH+]c1)[NH2+][C@H](C)C(N)=O ZINC001423098379 908106005 /nfs/dbraw/zinc/10/60/05/908106005.db2.gz LEQJGEQNIIWZCQ-GHMZBOCLSA-N 2 2 281.360 -0.417 20 0 CBADLP C[C@H](CN(C)C(=O)Cc1[nH]cc[nH+]1)[NH2+][C@H](C)C(=O)N(C)C ZINC001423128296 908113623 /nfs/dbraw/zinc/11/36/23/908113623.db2.gz BJWSOGQRIMLEJO-GHMZBOCLSA-N 2 2 295.387 -0.135 20 0 CBADLP Cn1cc(C[NH2+]C2(CNC(=O)C[NH+]3CCCC3)CC2)nn1 ZINC001423302639 908195921 /nfs/dbraw/zinc/19/59/21/908195921.db2.gz LLGIREARMCGHNG-UHFFFAOYSA-N 2 2 292.387 -0.351 20 0 CBADLP CCC[N@H+](C)CC(=O)NCC1([NH2+]Cc2nnnn2C)CC1 ZINC001423294258 908196018 /nfs/dbraw/zinc/19/60/18/908196018.db2.gz PAWXVPBGHMLCAJ-UHFFFAOYSA-N 2 2 295.391 -0.710 20 0 CBADLP CCC[N@@H+](C)CC(=O)NCC1([NH2+]Cc2nnnn2C)CC1 ZINC001423294258 908196022 /nfs/dbraw/zinc/19/60/22/908196022.db2.gz PAWXVPBGHMLCAJ-UHFFFAOYSA-N 2 2 295.391 -0.710 20 0 CBADLP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC001502747893 921389365 /nfs/dbraw/zinc/38/93/65/921389365.db2.gz KOOIGLMBDPCOID-WDEREUQCSA-N 2 2 293.371 -0.475 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)N1CCC[C@@H]1C[NH2+]CC(N)=O ZINC001423493853 908256326 /nfs/dbraw/zinc/25/63/26/908256326.db2.gz XTKKXZKHODWPDR-GFCCVEGCSA-N 2 2 293.371 -0.581 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)C[C@H](O)C[N@H+](C)CCO ZINC001423530105 908269979 /nfs/dbraw/zinc/26/99/79/908269979.db2.gz AEPGBBBZDRYMBQ-DGCLKSJQSA-N 2 2 298.387 -0.668 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)C[C@H](O)C[N@@H+](C)CCO ZINC001423530105 908269994 /nfs/dbraw/zinc/26/99/94/908269994.db2.gz AEPGBBBZDRYMBQ-DGCLKSJQSA-N 2 2 298.387 -0.668 20 0 CBADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)C[C@H](O)C[N@H+](C)CCO ZINC001423530105 908270011 /nfs/dbraw/zinc/27/00/11/908270011.db2.gz AEPGBBBZDRYMBQ-DGCLKSJQSA-N 2 2 298.387 -0.668 20 0 CBADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)C[C@H](O)C[N@@H+](C)CCO ZINC001423530105 908270029 /nfs/dbraw/zinc/27/00/29/908270029.db2.gz AEPGBBBZDRYMBQ-DGCLKSJQSA-N 2 2 298.387 -0.668 20 0 CBADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)C[C@H](O)C[N@H+](C)CCO ZINC001423530113 908272259 /nfs/dbraw/zinc/27/22/59/908272259.db2.gz AEPGBBBZDRYMBQ-WCQYABFASA-N 2 2 298.387 -0.668 20 0 CBADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)C[C@H](O)C[N@@H+](C)CCO ZINC001423530113 908272274 /nfs/dbraw/zinc/27/22/74/908272274.db2.gz AEPGBBBZDRYMBQ-WCQYABFASA-N 2 2 298.387 -0.668 20 0 CBADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)C[C@H](O)C[N@H+](C)CCO ZINC001423530113 908272291 /nfs/dbraw/zinc/27/22/91/908272291.db2.gz AEPGBBBZDRYMBQ-WCQYABFASA-N 2 2 298.387 -0.668 20 0 CBADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)C[C@H](O)C[N@@H+](C)CCO ZINC001423530113 908272308 /nfs/dbraw/zinc/27/23/08/908272308.db2.gz AEPGBBBZDRYMBQ-WCQYABFASA-N 2 2 298.387 -0.668 20 0 CBADLP C[NH+](C)CC1(C(=O)N[C@]2(C)CC[N@H+](CC(N)=O)C2)CC1 ZINC001423579319 908281842 /nfs/dbraw/zinc/28/18/42/908281842.db2.gz UBQRPKCXVZNXSV-CYBMUJFWSA-N 2 2 282.388 -0.606 20 0 CBADLP C[NH+](C)CC1(C(=O)N[C@]2(C)CC[N@@H+](CC(N)=O)C2)CC1 ZINC001423579319 908281852 /nfs/dbraw/zinc/28/18/52/908281852.db2.gz UBQRPKCXVZNXSV-CYBMUJFWSA-N 2 2 282.388 -0.606 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H](NC(=O)Cn1cc[nH+]c1)C(C)(C)C ZINC001423622392 908293656 /nfs/dbraw/zinc/29/36/56/908293656.db2.gz VHJWDURROVWNRV-LLVKDONJSA-N 2 2 295.387 -0.250 20 0 CBADLP CC(C)OCC[NH+]1CC(O)(CNC(=O)CC[NH+](C)C)C1 ZINC001423868825 908361817 /nfs/dbraw/zinc/36/18/17/908361817.db2.gz SYJUHKIKVKOTLO-UHFFFAOYSA-N 2 2 287.404 -0.474 20 0 CBADLP CCC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001424027876 908390631 /nfs/dbraw/zinc/39/06/31/908390631.db2.gz NHEDKMJGOBLSRC-UKRRQHHQSA-N 2 2 299.415 -0.330 20 0 CBADLP CCC[N@H+]1CCC[C@@](CO)(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001424027876 908390648 /nfs/dbraw/zinc/39/06/48/908390648.db2.gz NHEDKMJGOBLSRC-UKRRQHHQSA-N 2 2 299.415 -0.330 20 0 CBADLP CCC[NH+]1CCC[C@@](CO)(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001424027876 908390660 /nfs/dbraw/zinc/39/06/60/908390660.db2.gz NHEDKMJGOBLSRC-UKRRQHHQSA-N 2 2 299.415 -0.330 20 0 CBADLP CCC[NH+]1CCC[C@@](CO)(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001424027876 908390675 /nfs/dbraw/zinc/39/06/75/908390675.db2.gz NHEDKMJGOBLSRC-UKRRQHHQSA-N 2 2 299.415 -0.330 20 0 CBADLP C[C@H]1[C@@H]([NH+](C)C)CCN1S(=O)(=O)N1CC[NH+](C)CC1 ZINC001424110293 908409727 /nfs/dbraw/zinc/40/97/27/908409727.db2.gz CGNDCFPELSIJOC-RYUDHWBXSA-N 2 2 290.433 -0.497 20 0 CBADLP CC[N@H+](C)CCC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1nnn(C)n1 ZINC001424829846 908513009 /nfs/dbraw/zinc/51/30/09/908513009.db2.gz ILDJUUKEEPUEQK-WDEREUQCSA-N 2 2 297.407 -0.465 20 0 CBADLP CC[N@@H+](C)CCC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1nnn(C)n1 ZINC001424829846 908513020 /nfs/dbraw/zinc/51/30/20/908513020.db2.gz ILDJUUKEEPUEQK-WDEREUQCSA-N 2 2 297.407 -0.465 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)[N@H+](C)CCO ZINC001424971603 908538381 /nfs/dbraw/zinc/53/83/81/908538381.db2.gz MUZZQIQNUJYICC-RYUDHWBXSA-N 2 2 280.372 -0.126 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)[N@@H+](C)CCO ZINC001424971603 908538395 /nfs/dbraw/zinc/53/83/95/908538395.db2.gz MUZZQIQNUJYICC-RYUDHWBXSA-N 2 2 280.372 -0.126 20 0 CBADLP C[C@H](CNC(=O)CCc1c[nH+]cn1C)[N@H+](C)[C@H](C)C(N)=O ZINC001425046919 908558954 /nfs/dbraw/zinc/55/89/54/908558954.db2.gz CLDUIPRVSPMUNA-GHMZBOCLSA-N 2 2 295.387 -0.337 20 0 CBADLP C[C@H](CNC(=O)CCc1c[nH+]cn1C)[N@@H+](C)[C@H](C)C(N)=O ZINC001425046919 908558962 /nfs/dbraw/zinc/55/89/62/908558962.db2.gz CLDUIPRVSPMUNA-GHMZBOCLSA-N 2 2 295.387 -0.337 20 0 CBADLP C[C@@H](CN(C)C(=O)CC[NH+](C)C)NC(=O)Cn1cc[nH+]c1 ZINC001425223298 908588276 /nfs/dbraw/zinc/58/82/76/908588276.db2.gz BHVAWYOASSWCGO-LBPRGKRZSA-N 2 2 295.387 -0.202 20 0 CBADLP C[C@H](CC(=O)NC[C@H](CO)[NH2+]CCF)n1cc[nH+]c1 ZINC001425823070 908755864 /nfs/dbraw/zinc/75/58/64/908755864.db2.gz MXIMJRDUNNJQDL-GHMZBOCLSA-N 2 2 272.324 -0.130 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NC[C@@H](CO)[NH2+]Cc1ccn(C)n1 ZINC001425843666 908763307 /nfs/dbraw/zinc/76/33/07/908763307.db2.gz SWSZJCMIYQVNBZ-ZDUSSCGKSA-N 2 2 297.403 -0.673 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NC[C@@H](CO)[NH2+]Cc1ccn(C)n1 ZINC001425843666 908763321 /nfs/dbraw/zinc/76/33/21/908763321.db2.gz SWSZJCMIYQVNBZ-ZDUSSCGKSA-N 2 2 297.403 -0.673 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[C@H](C[NH2+]CC(N)=O)C1 ZINC001425973983 908790386 /nfs/dbraw/zinc/79/03/86/908790386.db2.gz USXLAYVYSMQCJE-WDEREUQCSA-N 2 2 293.371 -0.380 20 0 CBADLP CO[C@@H](C)C[NH2+]C[C@H](O)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001426031048 908803929 /nfs/dbraw/zinc/80/39/29/908803929.db2.gz MDCHIXJQUOZMFW-AAEUAGOBSA-N 2 2 298.387 -0.594 20 0 CBADLP C[C@@H](O)C[NH2+]C[C@H](O)CN(C)C(=O)CCc1[nH+]ccn1C ZINC001426034805 908807562 /nfs/dbraw/zinc/80/75/62/908807562.db2.gz VAARHCREZJKTEJ-NEPJUHHUSA-N 2 2 298.387 -0.858 20 0 CBADLP COC[C@@H](C)[NH2+]C[C@H](O)CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001426054992 908811763 /nfs/dbraw/zinc/81/17/63/908811763.db2.gz ZXHPYBQFAWEVSY-PWSUYJOCSA-N 2 2 298.387 -0.296 20 0 CBADLP CO[C@@H](C)C[NH2+]C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001426061284 908812774 /nfs/dbraw/zinc/81/27/74/908812774.db2.gz WKXINVWUQYZMBI-NWDGAFQWSA-N 2 2 284.360 -0.673 20 0 CBADLP CO[C@@H](C)C[N@H+](C)C[C@@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001426101725 908828542 /nfs/dbraw/zinc/82/85/42/908828542.db2.gz OCHITHYYJSDBSH-WCQYABFASA-N 2 2 298.387 -0.262 20 0 CBADLP CO[C@@H](C)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001426101725 908828555 /nfs/dbraw/zinc/82/85/55/908828555.db2.gz OCHITHYYJSDBSH-WCQYABFASA-N 2 2 298.387 -0.262 20 0 CBADLP C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)[C@H](C)[NH2+]CC(=O)N(C)C ZINC001505699375 921466135 /nfs/dbraw/zinc/46/61/35/921466135.db2.gz WPKRHQFPLANVJU-VHSXEESVSA-N 2 2 281.360 -0.477 20 0 CBADLP C[C@H](CNC(=O)CC[NH+](C)C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001430749325 909383686 /nfs/dbraw/zinc/38/36/86/909383686.db2.gz IRDCCCBZNJWVCS-SNVBAGLBSA-N 2 2 281.360 -0.475 20 0 CBADLP CN(CCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)Cc1c[nH+]c[nH]1 ZINC001431267358 909442194 /nfs/dbraw/zinc/44/21/94/909442194.db2.gz VVUFFXUMDRISST-NSHDSACASA-N 2 2 293.371 -0.522 20 0 CBADLP CN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)Cc1c[nH+]c[nH]1 ZINC001431267358 909442209 /nfs/dbraw/zinc/44/22/09/909442209.db2.gz VVUFFXUMDRISST-NSHDSACASA-N 2 2 293.371 -0.522 20 0 CBADLP CN(CCNC(=O)CC[NH+](C)C)C(=O)CCn1cc[nH+]c1 ZINC001431493298 909485556 /nfs/dbraw/zinc/48/55/56/909485556.db2.gz KNNAOKPEVWKXOK-UHFFFAOYSA-N 2 2 295.387 -0.201 20 0 CBADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)CC(N)=O ZINC001505931329 921506596 /nfs/dbraw/zinc/50/65/96/921506596.db2.gz YDSRUKHUPYNSTF-VXGBXAGGSA-N 2 2 284.404 -0.217 20 0 CBADLP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)CC(N)=O ZINC001505931329 921506601 /nfs/dbraw/zinc/50/66/01/921506601.db2.gz YDSRUKHUPYNSTF-VXGBXAGGSA-N 2 2 284.404 -0.217 20 0 CBADLP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H](C)[N@H+](C)CC(N)=O ZINC001505931329 921506607 /nfs/dbraw/zinc/50/66/07/921506607.db2.gz YDSRUKHUPYNSTF-VXGBXAGGSA-N 2 2 284.404 -0.217 20 0 CBADLP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+](C)CC(N)=O ZINC001505931329 921506608 /nfs/dbraw/zinc/50/66/08/921506608.db2.gz YDSRUKHUPYNSTF-VXGBXAGGSA-N 2 2 284.404 -0.217 20 0 CBADLP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CC(N)=O ZINC001505931328 921506810 /nfs/dbraw/zinc/50/68/10/921506810.db2.gz YDSRUKHUPYNSTF-RYUDHWBXSA-N 2 2 284.404 -0.217 20 0 CBADLP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CC(N)=O ZINC001505931328 921506815 /nfs/dbraw/zinc/50/68/15/921506815.db2.gz YDSRUKHUPYNSTF-RYUDHWBXSA-N 2 2 284.404 -0.217 20 0 CBADLP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@H+](C)CC(N)=O ZINC001505931328 921506819 /nfs/dbraw/zinc/50/68/19/921506819.db2.gz YDSRUKHUPYNSTF-RYUDHWBXSA-N 2 2 284.404 -0.217 20 0 CBADLP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@@H+](C)CC(N)=O ZINC001505931328 921506823 /nfs/dbraw/zinc/50/68/23/921506823.db2.gz YDSRUKHUPYNSTF-RYUDHWBXSA-N 2 2 284.404 -0.217 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)[N@H+](C)CCO ZINC001505947978 921510858 /nfs/dbraw/zinc/51/08/58/921510858.db2.gz FNLCDXGMTYCOKP-NWDGAFQWSA-N 2 2 280.372 -0.126 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)[N@@H+](C)CCO ZINC001505947978 921510865 /nfs/dbraw/zinc/51/08/65/921510865.db2.gz FNLCDXGMTYCOKP-NWDGAFQWSA-N 2 2 280.372 -0.126 20 0 CBADLP C[C@@H](C(=O)NC1CC[NH+]([C@H]2CCOC2=O)CC1)[NH+](C)C ZINC001433832729 909873249 /nfs/dbraw/zinc/87/32/49/909873249.db2.gz LZHWNTFICCQQBS-JQWIXIFHSA-N 2 2 283.372 -0.167 20 0 CBADLP CC[N@@H+]1CC[C@H]1C(=O)N1CC(C[NH+]2CCN(C)CC2)C1 ZINC001434009725 909952686 /nfs/dbraw/zinc/95/26/86/909952686.db2.gz HRFYPDZWALNDBZ-AWEZNQCLSA-N 2 2 280.416 -0.214 20 0 CBADLP CC[N@H+]1CC[C@H]1C(=O)N1CC(C[NH+]2CCN(C)CC2)C1 ZINC001434009725 909952705 /nfs/dbraw/zinc/95/27/05/909952705.db2.gz HRFYPDZWALNDBZ-AWEZNQCLSA-N 2 2 280.416 -0.214 20 0 CBADLP CC[N@@H+]1CC[C@H]1C(=O)N1CC(CN2CC[NH+](C)CC2)C1 ZINC001434009725 909952720 /nfs/dbraw/zinc/95/27/20/909952720.db2.gz HRFYPDZWALNDBZ-AWEZNQCLSA-N 2 2 280.416 -0.214 20 0 CBADLP CC[N@H+]1CC[C@H]1C(=O)N1CC(CN2CC[NH+](C)CC2)C1 ZINC001434009725 909952737 /nfs/dbraw/zinc/95/27/37/909952737.db2.gz HRFYPDZWALNDBZ-AWEZNQCLSA-N 2 2 280.416 -0.214 20 0 CBADLP CO[C@H](C)C[NH+]1CC(CCO)(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001506141535 921554394 /nfs/dbraw/zinc/55/43/94/921554394.db2.gz YFKYFHAJQJKYDN-OLZOCXBDSA-N 2 2 299.415 -0.474 20 0 CBADLP CO[C@H](C)C[NH+]1CC(CCO)(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001506141535 921554406 /nfs/dbraw/zinc/55/44/06/921554406.db2.gz YFKYFHAJQJKYDN-OLZOCXBDSA-N 2 2 299.415 -0.474 20 0 CBADLP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC001434473906 910211955 /nfs/dbraw/zinc/21/19/55/910211955.db2.gz RCWMLOMFIQVJRU-CHWSQXEVSA-N 2 2 278.356 -0.058 20 0 CBADLP C[NH+](C)C[C@@H]1CCN(S(=O)(=O)N2CC[NH+](C)CC2)C1 ZINC001434561099 910262958 /nfs/dbraw/zinc/26/29/58/910262958.db2.gz AGOSPBYIPDATAA-LBPRGKRZSA-N 2 2 290.433 -0.638 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@@H]([NH+](CCO)CCO)C1 ZINC001436466079 910446202 /nfs/dbraw/zinc/44/62/02/910446202.db2.gz KIDYQUHGGBFTEK-CYBMUJFWSA-N 2 2 296.371 -0.770 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)NCCN1CC[NH+](CCF)CC1 ZINC001436700622 910464685 /nfs/dbraw/zinc/46/46/85/910464685.db2.gz SWGYLKDUASIIJM-ZDUSSCGKSA-N 2 2 286.395 -0.216 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)NCCN1CC[NH+](CCF)CC1 ZINC001436700622 910464700 /nfs/dbraw/zinc/46/47/00/910464700.db2.gz SWGYLKDUASIIJM-ZDUSSCGKSA-N 2 2 286.395 -0.216 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CCCC[N@@H+]1CC(N)=O ZINC001437029429 910534361 /nfs/dbraw/zinc/53/43/61/910534361.db2.gz IWZYWDRBQVSMPE-LBPRGKRZSA-N 2 2 293.371 -0.352 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CCCC[N@H+]1CC(N)=O ZINC001437029429 910534375 /nfs/dbraw/zinc/53/43/75/910534375.db2.gz IWZYWDRBQVSMPE-LBPRGKRZSA-N 2 2 293.371 -0.352 20 0 CBADLP Cc1nnc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CCC[N@@H+]2C)[nH]1 ZINC001437132338 910561268 /nfs/dbraw/zinc/56/12/68/910561268.db2.gz XYMZZIDDDLHWRR-KOLCDFICSA-N 2 2 280.376 -0.198 20 0 CBADLP Cc1nnc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CCC[N@H+]2C)[nH]1 ZINC001437132338 910561277 /nfs/dbraw/zinc/56/12/77/910561277.db2.gz XYMZZIDDDLHWRR-KOLCDFICSA-N 2 2 280.376 -0.198 20 0 CBADLP CC[C@H]([NH2+][C@H](C)CNC(=O)CCc1c[nH]c[nH+]1)C(N)=O ZINC001437147611 910566000 /nfs/dbraw/zinc/56/60/00/910566000.db2.gz MTQLSSNDDGXTRF-KOLCDFICSA-N 2 2 281.360 -0.300 20 0 CBADLP CC[C@H]([NH2+][C@H](C)CNC(=O)CCc1c[nH+]c[nH]1)C(N)=O ZINC001437147611 910566017 /nfs/dbraw/zinc/56/60/17/910566017.db2.gz MTQLSSNDDGXTRF-KOLCDFICSA-N 2 2 281.360 -0.300 20 0 CBADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@@H]1CCCN(C)C1=O ZINC001437203138 910586435 /nfs/dbraw/zinc/58/64/35/910586435.db2.gz NKUAMKBFRBFCSF-ZYHUDNBSSA-N 2 2 293.371 -0.333 20 0 CBADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@@H]1CCN(C)C1=O ZINC001437219266 910589532 /nfs/dbraw/zinc/58/95/32/910589532.db2.gz IGUARCIHJRJDLH-VHSXEESVSA-N 2 2 279.344 -0.723 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001437310403 910610715 /nfs/dbraw/zinc/61/07/15/910610715.db2.gz FCUQYRRNZUIDSG-NSHDSACASA-N 2 2 293.371 -0.555 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@H](C)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001437406803 910629631 /nfs/dbraw/zinc/62/96/31/910629631.db2.gz TZOYBDATBIXQMX-ZJUUUORDSA-N 2 2 281.360 -0.429 20 0 CBADLP C[C@H](C(N)=O)[N@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001437483806 910658870 /nfs/dbraw/zinc/65/88/70/910658870.db2.gz PWAXEJYYTASKNP-GHMZBOCLSA-N 2 2 270.377 -0.608 20 0 CBADLP C[C@H](C(N)=O)[N@@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001437483806 910658877 /nfs/dbraw/zinc/65/88/77/910658877.db2.gz PWAXEJYYTASKNP-GHMZBOCLSA-N 2 2 270.377 -0.608 20 0 CBADLP C[C@H](C(N)=O)[NH+](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001437483806 910658880 /nfs/dbraw/zinc/65/88/80/910658880.db2.gz PWAXEJYYTASKNP-GHMZBOCLSA-N 2 2 270.377 -0.608 20 0 CBADLP C[C@H](C(N)=O)[NH+](C)CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001437483806 910658885 /nfs/dbraw/zinc/65/88/85/910658885.db2.gz PWAXEJYYTASKNP-GHMZBOCLSA-N 2 2 270.377 -0.608 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NCC[NH+](C)CC(=O)N(C)C ZINC001437570109 910688177 /nfs/dbraw/zinc/68/81/77/910688177.db2.gz NTMVKHRJRIHUNV-UHFFFAOYSA-N 2 2 272.393 -0.537 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NCC[NH+](C)CC(=O)N(C)C ZINC001437570109 910688184 /nfs/dbraw/zinc/68/81/84/910688184.db2.gz NTMVKHRJRIHUNV-UHFFFAOYSA-N 2 2 272.393 -0.537 20 0 CBADLP CC(C)[NH+](C)CC(=O)NCC[N@H+](C)CC(=O)N(C)C ZINC001437570109 910688194 /nfs/dbraw/zinc/68/81/94/910688194.db2.gz NTMVKHRJRIHUNV-UHFFFAOYSA-N 2 2 272.393 -0.537 20 0 CBADLP CC(C)[NH+](C)CC(=O)NCC[N@@H+](C)CC(=O)N(C)C ZINC001437570109 910688205 /nfs/dbraw/zinc/68/82/05/910688205.db2.gz NTMVKHRJRIHUNV-UHFFFAOYSA-N 2 2 272.393 -0.537 20 0 CBADLP COC[C@H](O)C[N@@H+]1CC[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001437726028 910734774 /nfs/dbraw/zinc/73/47/74/910734774.db2.gz BTKWITWMNKQFOX-WCQYABFASA-N 2 2 296.371 -0.602 20 0 CBADLP COC[C@H](O)C[N@H+]1CC[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001437726028 910734786 /nfs/dbraw/zinc/73/47/86/910734786.db2.gz BTKWITWMNKQFOX-WCQYABFASA-N 2 2 296.371 -0.602 20 0 CBADLP COC[C@H](O)C[N@@H+]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001437726026 910736432 /nfs/dbraw/zinc/73/64/32/910736432.db2.gz BTKWITWMNKQFOX-DGCLKSJQSA-N 2 2 296.371 -0.602 20 0 CBADLP COC[C@H](O)C[N@H+]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001437726026 910736442 /nfs/dbraw/zinc/73/64/42/910736442.db2.gz BTKWITWMNKQFOX-DGCLKSJQSA-N 2 2 296.371 -0.602 20 0 CBADLP C[C@H](NC(=O)CC[NH+](C)C)C1C[NH+](Cc2cnnn2C)C1 ZINC001506650700 921601750 /nfs/dbraw/zinc/60/17/50/921601750.db2.gz PKNOCSZGWWCHNS-NSHDSACASA-N 2 2 294.403 -0.297 20 0 CBADLP C[C@@H]([NH2+]CC(N)=O)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001437856459 910770757 /nfs/dbraw/zinc/77/07/57/910770757.db2.gz OTIIYFTVBCWCNO-LLVKDONJSA-N 2 2 293.371 -0.415 20 0 CBADLP CC[C@@H](C(=O)NCC1C[NH+]([C@H](C)C(N)=O)C1)[NH+](C)C ZINC001438156650 910830487 /nfs/dbraw/zinc/83/04/87/910830487.db2.gz FLIUWPRJJHNOLB-KOLCDFICSA-N 2 2 270.377 -0.752 20 0 CBADLP CCC[N@H+](C)CC(=O)NCC1C[NH+](CC(=O)N2CCC2)C1 ZINC001438162561 910837664 /nfs/dbraw/zinc/83/76/64/910837664.db2.gz ZSOIXUNZGRQREY-UHFFFAOYSA-N 2 2 296.415 -0.392 20 0 CBADLP CCC[N@@H+](C)CC(=O)NCC1C[NH+](CC(=O)N2CCC2)C1 ZINC001438162561 910837679 /nfs/dbraw/zinc/83/76/79/910837679.db2.gz ZSOIXUNZGRQREY-UHFFFAOYSA-N 2 2 296.415 -0.392 20 0 CBADLP CC[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@H]1CCCNC1=O ZINC001438342431 910882804 /nfs/dbraw/zinc/88/28/04/910882804.db2.gz IZRGDEIGUIKULX-JQWIXIFHSA-N 2 2 293.371 -0.285 20 0 CBADLP CC[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@H]1CCCNC1=O ZINC001438342433 910883712 /nfs/dbraw/zinc/88/37/12/910883712.db2.gz IZRGDEIGUIKULX-PWSUYJOCSA-N 2 2 293.371 -0.285 20 0 CBADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)C[NH2+]CC(=O)N(C)C ZINC001438523176 910913388 /nfs/dbraw/zinc/91/33/88/910913388.db2.gz FRYMEGHNDZTKSU-JTQLQIEISA-N 2 2 281.360 -0.618 20 0 CBADLP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CCO)CCO1 ZINC001438587407 910930314 /nfs/dbraw/zinc/93/03/14/910930314.db2.gz PRQADLOXHKJRLX-GFCCVEGCSA-N 2 2 273.377 -0.863 20 0 CBADLP CCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](CCO)CCO1 ZINC001438587407 910930341 /nfs/dbraw/zinc/93/03/41/910930341.db2.gz PRQADLOXHKJRLX-GFCCVEGCSA-N 2 2 273.377 -0.863 20 0 CBADLP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001438587407 910930361 /nfs/dbraw/zinc/93/03/61/910930361.db2.gz PRQADLOXHKJRLX-GFCCVEGCSA-N 2 2 273.377 -0.863 20 0 CBADLP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001438587407 910930378 /nfs/dbraw/zinc/93/03/78/910930378.db2.gz PRQADLOXHKJRLX-GFCCVEGCSA-N 2 2 273.377 -0.863 20 0 CBADLP C[C@H](O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001506820806 921620626 /nfs/dbraw/zinc/62/06/26/921620626.db2.gz PGAHJWILNBIMJR-FIQHERPVSA-N 2 2 278.356 -0.373 20 0 CBADLP C[C@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001506820806 921620637 /nfs/dbraw/zinc/62/06/37/921620637.db2.gz PGAHJWILNBIMJR-FIQHERPVSA-N 2 2 278.356 -0.373 20 0 CBADLP CNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001438712860 910959673 /nfs/dbraw/zinc/95/96/73/910959673.db2.gz WHBIPNRDCUJJAU-JTQLQIEISA-N 2 2 295.387 -0.130 20 0 CBADLP CN(CC[N@H+](C)CC(N)=O)C(=O)C1(C[NH+](C)C)CC1 ZINC001438900296 910992281 /nfs/dbraw/zinc/99/22/81/910992281.db2.gz AWHOPDCCRVIDOF-UHFFFAOYSA-N 2 2 270.377 -0.796 20 0 CBADLP CN(CC[N@@H+](C)CC(N)=O)C(=O)C1(C[NH+](C)C)CC1 ZINC001438900296 910992295 /nfs/dbraw/zinc/99/22/95/910992295.db2.gz AWHOPDCCRVIDOF-UHFFFAOYSA-N 2 2 270.377 -0.796 20 0 CBADLP CO[C@H](C)C[NH2+]C[C@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001439036641 911066794 /nfs/dbraw/zinc/06/67/94/911066794.db2.gz SQCQAHKEKYWBJX-ZJUUUORDSA-N 2 2 270.333 -0.946 20 0 CBADLP CO[C@@H](C)C[NH2+]C[C@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001439036637 911069677 /nfs/dbraw/zinc/06/96/77/911069677.db2.gz SQCQAHKEKYWBJX-UWVGGRQHSA-N 2 2 270.333 -0.946 20 0 CBADLP CCN(CC[NH2+][C@@H](C)C(N)=O)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001439075827 911089776 /nfs/dbraw/zinc/08/97/76/911089776.db2.gz CKWYJTHEFXNLCA-QWRGUYRKSA-N 2 2 295.387 -0.100 20 0 CBADLP CCN(CC[NH2+][C@@H](C)C(N)=O)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001439075827 911089797 /nfs/dbraw/zinc/08/97/97/911089797.db2.gz CKWYJTHEFXNLCA-QWRGUYRKSA-N 2 2 295.387 -0.100 20 0 CBADLP CC[C@H]([NH2+]C[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1)C(N)=O ZINC001439126803 911110794 /nfs/dbraw/zinc/11/07/94/911110794.db2.gz PRDFXSHOHPREKP-KOLCDFICSA-N 2 2 281.360 -0.300 20 0 CBADLP CC[C@H]([NH2+]C[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1)C(N)=O ZINC001439126803 911110809 /nfs/dbraw/zinc/11/08/09/911110809.db2.gz PRDFXSHOHPREKP-KOLCDFICSA-N 2 2 281.360 -0.300 20 0 CBADLP C[C@@H](C[NH2+]CC(=O)N(C)C1CC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001439253283 911155949 /nfs/dbraw/zinc/15/59/49/911155949.db2.gz QXHARUCFOMNKRD-JTQLQIEISA-N 2 2 293.371 -0.333 20 0 CBADLP CC[C@@H]([NH2+]C[C@H](C)NC(=O)Cc1c[nH+]cn1C)C(N)=O ZINC001439269956 911159129 /nfs/dbraw/zinc/15/91/29/911159129.db2.gz XRULLVWGAJHGPV-GXSJLCMTSA-N 2 2 281.360 -0.679 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@H](C[NH2+]CC(N)=O)C1 ZINC001506903472 921638621 /nfs/dbraw/zinc/63/86/21/921638621.db2.gz UYBPLYXAZHBIEH-MGCOHNPYSA-N 2 2 279.344 -0.770 20 0 CBADLP CN(C)C(=O)C[N@@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001439555492 911237688 /nfs/dbraw/zinc/23/76/88/911237688.db2.gz WLAKODRCVHDDAJ-LLVKDONJSA-N 2 2 270.377 -0.783 20 0 CBADLP CN(C)C(=O)C[N@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001439555492 911237702 /nfs/dbraw/zinc/23/77/02/911237702.db2.gz WLAKODRCVHDDAJ-LLVKDONJSA-N 2 2 270.377 -0.783 20 0 CBADLP NC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC001439783717 911287803 /nfs/dbraw/zinc/28/78/03/911287803.db2.gz DPHQKLSZYYXQRP-NSHDSACASA-N 2 2 279.344 -0.661 20 0 CBADLP C[C@@H](O)CCC[NH+]1CC(O)(CNC(=O)CC[NH+](C)C)C1 ZINC001440068143 911375946 /nfs/dbraw/zinc/37/59/46/911375946.db2.gz FWINPPYYRNLMCT-GFCCVEGCSA-N 2 2 287.404 -0.738 20 0 CBADLP C[C@H]([NH2+]CCO)[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001440126904 911390165 /nfs/dbraw/zinc/39/01/65/911390165.db2.gz SQVLFCIWAPVJPS-RYUDHWBXSA-N 2 2 280.372 -0.219 20 0 CBADLP CO[C@H](C)C[N@@H+]1CCOC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001440271264 911419913 /nfs/dbraw/zinc/41/99/13/911419913.db2.gz MIISLHJMKPRRIA-OLZOCXBDSA-N 2 2 287.404 -0.210 20 0 CBADLP CO[C@H](C)C[N@H+]1CCOC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001440271264 911419921 /nfs/dbraw/zinc/41/99/21/911419921.db2.gz MIISLHJMKPRRIA-OLZOCXBDSA-N 2 2 287.404 -0.210 20 0 CBADLP CCC[N@H+](C)CC(=O)N(C)C[C@@H]1CC[NH+]1[C@@H](C)C(N)=O ZINC001440262316 911420263 /nfs/dbraw/zinc/42/02/63/911420263.db2.gz RABUUJDXEWPOAS-RYUDHWBXSA-N 2 2 284.404 -0.265 20 0 CBADLP CCC[N@@H+](C)CC(=O)N(C)C[C@@H]1CC[NH+]1[C@@H](C)C(N)=O ZINC001440262316 911420271 /nfs/dbraw/zinc/42/02/71/911420271.db2.gz RABUUJDXEWPOAS-RYUDHWBXSA-N 2 2 284.404 -0.265 20 0 CBADLP CCC[NH+](C)CC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@@H](C)C(N)=O ZINC001440262316 911420278 /nfs/dbraw/zinc/42/02/78/911420278.db2.gz RABUUJDXEWPOAS-RYUDHWBXSA-N 2 2 284.404 -0.265 20 0 CBADLP CCC[NH+](C)CC(=O)N(C)C[C@@H]1CC[N@H+]1[C@@H](C)C(N)=O ZINC001440262316 911420291 /nfs/dbraw/zinc/42/02/91/911420291.db2.gz RABUUJDXEWPOAS-RYUDHWBXSA-N 2 2 284.404 -0.265 20 0 CBADLP CNC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001440853377 911529172 /nfs/dbraw/zinc/52/91/72/911529172.db2.gz WTSHXJBLKGZUIV-DTWKUNHWSA-N 2 2 281.360 -0.511 20 0 CBADLP C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)[C@H](C)[NH2+]Cc1cnnn1C ZINC001440856454 911533411 /nfs/dbraw/zinc/53/34/11/911533411.db2.gz ULTWKDFUPXAICS-VHSXEESVSA-N 2 2 291.359 -0.236 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)[N@H+](C)CCO ZINC001440936143 911555537 /nfs/dbraw/zinc/55/55/37/911555537.db2.gz BCQDLXCRGGLZQV-VXGBXAGGSA-N 2 2 280.372 -0.126 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)[N@@H+](C)CCO ZINC001440936143 911555549 /nfs/dbraw/zinc/55/55/49/911555549.db2.gz BCQDLXCRGGLZQV-VXGBXAGGSA-N 2 2 280.372 -0.126 20 0 CBADLP C[NH+]1CCC(CC(=O)NC2(CCO)C[NH+](CCO)C2)CC1 ZINC001441063675 911600543 /nfs/dbraw/zinc/60/05/43/911600543.db2.gz NOJYJNZAOUJTER-UHFFFAOYSA-N 2 2 299.415 -0.736 20 0 CBADLP C[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1)C(N)=O ZINC001441368300 911652614 /nfs/dbraw/zinc/65/26/14/911652614.db2.gz QDOTZWHRXWEWLH-DCAQKATOSA-N 2 2 279.344 -0.759 20 0 CBADLP CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001441410330 911664913 /nfs/dbraw/zinc/66/49/13/911664913.db2.gz YXPASDDRDLIKMX-XYPYZODXSA-N 2 2 279.344 -0.744 20 0 CBADLP CN(C(=O)CCn1cc[nH+]c1)[C@@H](C[NH2+]CC(N)=O)C1CC1 ZINC001441436354 911671114 /nfs/dbraw/zinc/67/11/14/911671114.db2.gz HMNCYCWTDRXXNW-LBPRGKRZSA-N 2 2 293.371 -0.415 20 0 CBADLP C[C@@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)[NH2+]CCn1cncn1 ZINC001507128596 921684577 /nfs/dbraw/zinc/68/45/77/921684577.db2.gz KACYTSGCTUCAHQ-NSHDSACASA-N 2 2 291.359 -0.320 20 0 CBADLP C[C@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)[NH2+]CCn1cncn1 ZINC001507128595 921685683 /nfs/dbraw/zinc/68/56/83/921685683.db2.gz KACYTSGCTUCAHQ-LLVKDONJSA-N 2 2 291.359 -0.320 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@H](C)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001441610251 911716373 /nfs/dbraw/zinc/71/63/73/911716373.db2.gz SAWZEQTYENCHFB-ZJUUUORDSA-N 2 2 281.360 -0.477 20 0 CBADLP C[C@@H](CN(C)C(=O)CCc1c[nH+]cn1C)[NH2+][C@@H](C)C(N)=O ZINC001441632276 911721822 /nfs/dbraw/zinc/72/18/22/911721822.db2.gz ADRJLWSBDVOURO-QWRGUYRKSA-N 2 2 295.387 -0.337 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](CO)[NH2+]C/C=C\Cl)C1 ZINC001441693449 911752397 /nfs/dbraw/zinc/75/23/97/911752397.db2.gz GUGKLRFFPDAXEZ-NPRAVPSUSA-N 2 2 291.779 -0.864 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)NC[C@@H](CO)[NH2+]C/C=C\Cl)C1 ZINC001441693449 911752411 /nfs/dbraw/zinc/75/24/11/911752411.db2.gz GUGKLRFFPDAXEZ-NPRAVPSUSA-N 2 2 291.779 -0.864 20 0 CBADLP Cc1[nH+]cc2n1C[C@@H](C(=O)NC[C@@H](CO)[NH2+]CCF)CC2 ZINC001441742334 911775620 /nfs/dbraw/zinc/77/56/20/911775620.db2.gz OVDUKCLLQDCFSU-RYUDHWBXSA-N 2 2 298.362 -0.210 20 0 CBADLP Cc1nnc(C[NH2+][C@H](CO)CNC(=O)C[N@@H+](C)C(C)C)[nH]1 ZINC001441814731 911820157 /nfs/dbraw/zinc/82/01/57/911820157.db2.gz CTLCZISVDFSYFB-NSHDSACASA-N 2 2 298.391 -0.980 20 0 CBADLP Cc1nnc(C[NH2+][C@H](CO)CNC(=O)C[N@H+](C)C(C)C)[nH]1 ZINC001441814731 911820166 /nfs/dbraw/zinc/82/01/66/911820166.db2.gz CTLCZISVDFSYFB-NSHDSACASA-N 2 2 298.391 -0.980 20 0 CBADLP CNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001441833992 911830852 /nfs/dbraw/zinc/83/08/52/911830852.db2.gz HYCGHVZRQNDFHN-MWLCHTKSSA-N 2 2 279.344 -0.723 20 0 CBADLP COC[C@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001442022423 911893010 /nfs/dbraw/zinc/89/30/10/911893010.db2.gz ONNZGSGOJHCOMM-WDEREUQCSA-N 2 2 284.360 -0.604 20 0 CBADLP CN(C[C@@H](O)C[NH2+]Cc1cnon1)C(=O)C[NH+]1CCCC1 ZINC001442043863 911905304 /nfs/dbraw/zinc/90/53/04/911905304.db2.gz YFUNMONARJXQCD-LBPRGKRZSA-N 2 2 297.359 -0.926 20 0 CBADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+][C@@H]1CCCNC1=O ZINC001442065822 911913491 /nfs/dbraw/zinc/91/34/91/911913491.db2.gz FQCDOKAMSYHVSH-GHMZBOCLSA-N 2 2 279.344 -0.744 20 0 CBADLP CCNC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001442108570 911928588 /nfs/dbraw/zinc/92/85/88/911928588.db2.gz JXWDHXVOASHDDD-NSHDSACASA-N 2 2 293.371 -0.711 20 0 CBADLP C[C@@H]([NH2+][C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1)C(N)=O ZINC001442129179 911932042 /nfs/dbraw/zinc/93/20/42/911932042.db2.gz AUYKYTONFDVHEW-NEPJUHHUSA-N 2 2 293.371 -0.272 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H](C[NH2+]CC(N)=O)C1 ZINC001442152897 911936827 /nfs/dbraw/zinc/93/68/27/911936827.db2.gz OGBKPMFWDJEWJS-GHMZBOCLSA-N 2 2 293.371 -0.488 20 0 CBADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H](C[NH2+]CC(N)=O)C1 ZINC001442152897 911936844 /nfs/dbraw/zinc/93/68/44/911936844.db2.gz OGBKPMFWDJEWJS-GHMZBOCLSA-N 2 2 293.371 -0.488 20 0 CBADLP CC(C)(C)[C@@H](C[NH2+]CC(N)=O)NC(=O)Cc1c[nH]c[nH+]1 ZINC001442162432 911943201 /nfs/dbraw/zinc/94/32/01/911943201.db2.gz KMUPYNFYPOLHHG-SNVBAGLBSA-N 2 2 281.360 -0.442 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001442164653 911943678 /nfs/dbraw/zinc/94/36/78/911943678.db2.gz XVQQTQORUPNXSC-QWRGUYRKSA-N 2 2 293.371 -0.475 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001442164648 911943856 /nfs/dbraw/zinc/94/38/56/911943856.db2.gz XVQQTQORUPNXSC-GHMZBOCLSA-N 2 2 293.371 -0.475 20 0 CBADLP CN(C)C(=O)C[N@H+](C)CCNC(=O)CCC[NH+]1CCCC1 ZINC001442602605 912062825 /nfs/dbraw/zinc/06/28/25/912062825.db2.gz NOTFHLOKVRFWQV-UHFFFAOYSA-N 2 2 298.431 -0.001 20 0 CBADLP CN(C)C(=O)C[N@@H+](C)CCNC(=O)CCC[NH+]1CCCC1 ZINC001442602605 912062840 /nfs/dbraw/zinc/06/28/40/912062840.db2.gz NOTFHLOKVRFWQV-UHFFFAOYSA-N 2 2 298.431 -0.001 20 0 CBADLP CC[N@H+](CCNC(=O)Cc1c[nH+]cn1C)[C@@H]1CCNC1=O ZINC001442755265 912099569 /nfs/dbraw/zinc/09/95/69/912099569.db2.gz ZJYMSUHWJFSWAZ-GFCCVEGCSA-N 2 2 293.371 -0.711 20 0 CBADLP CC[N@@H+](CCNC(=O)Cc1c[nH+]cn1C)[C@@H]1CCNC1=O ZINC001442755265 912099584 /nfs/dbraw/zinc/09/95/84/912099584.db2.gz ZJYMSUHWJFSWAZ-GFCCVEGCSA-N 2 2 293.371 -0.711 20 0 CBADLP C[C@@H](O)C[N@@H+]1CC[C@@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001442909515 912123818 /nfs/dbraw/zinc/12/38/18/912123818.db2.gz VJAJVQAFWVAJGE-NEPJUHHUSA-N 2 2 280.372 -0.219 20 0 CBADLP C[C@@H](O)C[N@H+]1CC[C@@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001442909515 912123829 /nfs/dbraw/zinc/12/38/29/912123829.db2.gz VJAJVQAFWVAJGE-NEPJUHHUSA-N 2 2 280.372 -0.219 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001442907981 912125884 /nfs/dbraw/zinc/12/58/84/912125884.db2.gz SUJIARZPZGWCCR-LLVKDONJSA-N 2 2 293.371 -0.853 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001442907981 912125889 /nfs/dbraw/zinc/12/58/89/912125889.db2.gz SUJIARZPZGWCCR-LLVKDONJSA-N 2 2 293.371 -0.853 20 0 CBADLP CC[C@@H]([NH2+]CCN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C(N)=O ZINC001443081283 912147739 /nfs/dbraw/zinc/14/77/39/912147739.db2.gz SLIPCXCZACOACP-CMPLNLGQSA-N 2 2 295.387 -0.100 20 0 CBADLP CC[C@@H]([NH2+]CCN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C(N)=O ZINC001443081283 912147747 /nfs/dbraw/zinc/14/77/47/912147747.db2.gz SLIPCXCZACOACP-CMPLNLGQSA-N 2 2 295.387 -0.100 20 0 CBADLP C[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1)C(N)=O ZINC001443085193 912151464 /nfs/dbraw/zinc/15/14/64/912151464.db2.gz RICHLSWFKSEDSR-GHMZBOCLSA-N 2 2 293.371 -0.633 20 0 CBADLP C[C@H]([NH2+]CCN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1)C(N)=O ZINC001443102249 912155431 /nfs/dbraw/zinc/15/54/31/912155431.db2.gz QFUZXUCBIBLZKS-VIFPVBQESA-N 2 2 281.360 -0.391 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)Cc1c[nH+]cn1C ZINC001443099814 912158150 /nfs/dbraw/zinc/15/81/50/912158150.db2.gz MSHXSYSHDWBCBD-SNVBAGLBSA-N 2 2 281.360 -0.855 20 0 CBADLP COCC[NH+]1CCN(C(=O)C[N@H+](C)[C@@H]2CCC[C@H]2O)CC1 ZINC001443415202 912195169 /nfs/dbraw/zinc/19/51/69/912195169.db2.gz ARWHMCCQGDRAFJ-ZIAGYGMSSA-N 2 2 299.415 -0.378 20 0 CBADLP COCC[NH+]1CCN(C(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2O)CC1 ZINC001443415202 912195177 /nfs/dbraw/zinc/19/51/77/912195177.db2.gz ARWHMCCQGDRAFJ-ZIAGYGMSSA-N 2 2 299.415 -0.378 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)NC2C[NH+](C[C@@H](O)COC)C2)CC[N@@H+]1C ZINC001443468150 912201754 /nfs/dbraw/zinc/20/17/54/912201754.db2.gz IKJSILYJEQIEFM-HZSPNIEDSA-N 2 2 299.415 -0.476 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)NC2C[NH+](C[C@@H](O)COC)C2)CC[N@H+]1C ZINC001443468150 912201772 /nfs/dbraw/zinc/20/17/72/912201772.db2.gz IKJSILYJEQIEFM-HZSPNIEDSA-N 2 2 299.415 -0.476 20 0 CBADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C3(O)COC3)CC2)CC1 ZINC001464609972 914995586 /nfs/dbraw/zinc/99/55/86/914995586.db2.gz NPFAQLNGWPSLGB-UHFFFAOYSA-N 2 2 297.399 -0.578 20 0 CBADLP O=C(NC[C@@H](CO)[NH2+]CCO)c1cccc2[nH+]ccn21 ZINC001507221405 921756414 /nfs/dbraw/zinc/75/64/14/921756414.db2.gz YVYNRFJJEGCTJZ-JTQLQIEISA-N 2 2 278.312 -0.993 20 0 CBADLP Cc1nnc([C@@H](C)[NH2+][C@@H](CO)CNC(=O)CC[NH+](C)C)[nH]1 ZINC001507232072 921763472 /nfs/dbraw/zinc/76/34/72/921763472.db2.gz LGWHMRKTRWTDPN-MWLCHTKSSA-N 2 2 298.391 -0.807 20 0 CBADLP COC[C@@H](C)[NH2+][C@@H](CO)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001507258155 921788215 /nfs/dbraw/zinc/78/82/15/921788215.db2.gz YQQONVYUHOMMKW-MWLCHTKSSA-N 2 2 284.360 -0.638 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NC[C@@H](CO)[NH2+]Cc1ccon1 ZINC001507264918 921797554 /nfs/dbraw/zinc/79/75/54/921797554.db2.gz MQQDXOMGNAMBKU-LBPRGKRZSA-N 2 2 284.360 -0.419 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NC[C@@H](CO)[NH2+]Cc1ccon1 ZINC001507264918 921797567 /nfs/dbraw/zinc/79/75/67/921797567.db2.gz MQQDXOMGNAMBKU-LBPRGKRZSA-N 2 2 284.360 -0.419 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001473703337 915848829 /nfs/dbraw/zinc/84/88/29/915848829.db2.gz IUEYMKMPRLMNSW-QLFBSQMISA-N 3 2 285.432 -0.191 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001473703337 915848847 /nfs/dbraw/zinc/84/88/47/915848847.db2.gz IUEYMKMPRLMNSW-QLFBSQMISA-N 3 2 285.432 -0.191 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001473703337 915848859 /nfs/dbraw/zinc/84/88/59/915848859.db2.gz IUEYMKMPRLMNSW-QLFBSQMISA-N 3 2 285.432 -0.191 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001473703337 915848870 /nfs/dbraw/zinc/84/88/70/915848870.db2.gz IUEYMKMPRLMNSW-QLFBSQMISA-N 3 2 285.432 -0.191 20 0 CBADLP C[NH+]1CCN(S(=O)(=O)N2CCC[N@H+](C)CC2)CC1 ZINC001474778733 915904459 /nfs/dbraw/zinc/90/44/59/915904459.db2.gz DETQNQKSODBTDZ-UHFFFAOYSA-N 2 2 276.406 -0.884 20 0 CBADLP C[NH+]1CCN(S(=O)(=O)N2CCC[N@@H+](C)CC2)CC1 ZINC001474778733 915904480 /nfs/dbraw/zinc/90/44/80/915904480.db2.gz DETQNQKSODBTDZ-UHFFFAOYSA-N 2 2 276.406 -0.884 20 0 CBADLP C[NH+](C)CCCS(=O)(=O)N1CC[N@@H+]2C[C@@H](F)C[C@H]2C1 ZINC001475754985 915958003 /nfs/dbraw/zinc/95/80/03/915958003.db2.gz OKIOWTNBINDJIR-RYUDHWBXSA-N 2 2 293.408 -0.004 20 0 CBADLP C[NH+](C)CCCS(=O)(=O)N1CC[N@H+]2C[C@@H](F)C[C@H]2C1 ZINC001475754985 915958017 /nfs/dbraw/zinc/95/80/17/915958017.db2.gz OKIOWTNBINDJIR-RYUDHWBXSA-N 2 2 293.408 -0.004 20 0 CBADLP CC[N@H+](C)CCC(=O)N(C)C[C@@H]1CC[NH+]1CC(=O)N(C)C ZINC001479254182 916107081 /nfs/dbraw/zinc/10/70/81/916107081.db2.gz GVCBCBMOSQXMGD-ZDUSSCGKSA-N 2 2 298.431 -0.051 20 0 CBADLP CC[N@@H+](C)CCC(=O)N(C)C[C@@H]1CC[NH+]1CC(=O)N(C)C ZINC001479254182 916107092 /nfs/dbraw/zinc/10/70/92/916107092.db2.gz GVCBCBMOSQXMGD-ZDUSSCGKSA-N 2 2 298.431 -0.051 20 0 CBADLP CC[NH+](C)CCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)N(C)C ZINC001479254182 916107109 /nfs/dbraw/zinc/10/71/09/916107109.db2.gz GVCBCBMOSQXMGD-ZDUSSCGKSA-N 2 2 298.431 -0.051 20 0 CBADLP CC[NH+](C)CCC(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)N(C)C ZINC001479254182 916107117 /nfs/dbraw/zinc/10/71/17/916107117.db2.gz GVCBCBMOSQXMGD-ZDUSSCGKSA-N 2 2 298.431 -0.051 20 0 CBADLP CC[N@H+](C)CCC(=O)N(C)C[C@H]1CC[NH+]1CC(=O)N(C)C ZINC001479254181 916107852 /nfs/dbraw/zinc/10/78/52/916107852.db2.gz GVCBCBMOSQXMGD-CYBMUJFWSA-N 2 2 298.431 -0.051 20 0 CBADLP CC[N@@H+](C)CCC(=O)N(C)C[C@H]1CC[NH+]1CC(=O)N(C)C ZINC001479254181 916107864 /nfs/dbraw/zinc/10/78/64/916107864.db2.gz GVCBCBMOSQXMGD-CYBMUJFWSA-N 2 2 298.431 -0.051 20 0 CBADLP CC[NH+](C)CCC(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)N(C)C ZINC001479254181 916107876 /nfs/dbraw/zinc/10/78/76/916107876.db2.gz GVCBCBMOSQXMGD-CYBMUJFWSA-N 2 2 298.431 -0.051 20 0 CBADLP CC[NH+](C)CCC(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)N(C)C ZINC001479254181 916107887 /nfs/dbraw/zinc/10/78/87/916107887.db2.gz GVCBCBMOSQXMGD-CYBMUJFWSA-N 2 2 298.431 -0.051 20 0 CBADLP CN(C[C@@H]1CC[N@@H+]1CCO)C(=O)Cn1cc[nH+]c1 ZINC001479276625 916111014 /nfs/dbraw/zinc/11/10/14/916111014.db2.gz ZLILQSFHPCEJLO-NSHDSACASA-N 2 2 252.318 -0.592 20 0 CBADLP CN(C[C@@H]1CC[N@H+]1CCO)C(=O)Cn1cc[nH+]c1 ZINC001479276625 916111026 /nfs/dbraw/zinc/11/10/26/916111026.db2.gz ZLILQSFHPCEJLO-NSHDSACASA-N 2 2 252.318 -0.592 20 0 CBADLP C[C@H](C(=O)N(C)C)[N@H+](C)CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001479804646 916187864 /nfs/dbraw/zinc/18/78/64/916187864.db2.gz KVSCNRSAJKKLCX-LLVKDONJSA-N 2 2 295.387 -0.133 20 0 CBADLP C[C@H](C(=O)N(C)C)[N@@H+](C)CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001479804646 916187869 /nfs/dbraw/zinc/18/78/69/916187869.db2.gz KVSCNRSAJKKLCX-LLVKDONJSA-N 2 2 295.387 -0.133 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[N@@H+](CCOCCO)C1 ZINC001479971799 916246844 /nfs/dbraw/zinc/24/68/44/916246844.db2.gz FACQITHLUSTXNY-LBPRGKRZSA-N 2 2 282.344 -0.918 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[N@H+](CCOCCO)C1 ZINC001479971799 916246867 /nfs/dbraw/zinc/24/68/67/916246867.db2.gz FACQITHLUSTXNY-LBPRGKRZSA-N 2 2 282.344 -0.918 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H]([NH2+]CCCO)C1CC1 ZINC001480054958 916275307 /nfs/dbraw/zinc/27/53/07/916275307.db2.gz HJJFWKYPEOYDPO-LLVKDONJSA-N 2 2 266.345 -0.181 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@@H](CNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001480069156 916275858 /nfs/dbraw/zinc/27/58/58/916275858.db2.gz NOJNRGIWYINURI-JQWIXIFHSA-N 2 2 293.371 -0.498 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@@H]([NH2+]CCCO)C1 ZINC001480228988 916337089 /nfs/dbraw/zinc/33/70/89/916337089.db2.gz PCUXXDVKHNYJNW-AOOOYVTPSA-N 2 2 252.318 -0.429 20 0 CBADLP C[C@H]([NH2+]C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1)C(N)=O ZINC001480307565 916355820 /nfs/dbraw/zinc/35/58/20/916355820.db2.gz UXTKEOPUPJKTRM-RYUDHWBXSA-N 2 2 293.371 -0.415 20 0 CBADLP C[C@@H]([NH2+][C@@H](C)CNC(=O)CCc1c[nH]c[nH+]1)C(N)=O ZINC001480473478 916430212 /nfs/dbraw/zinc/43/02/12/916430212.db2.gz GABJQPMATLKDLL-DTWKUNHWSA-N 2 2 267.333 -0.690 20 0 CBADLP C[C@@H]([NH2+][C@@H](C)CNC(=O)CCc1c[nH+]c[nH]1)C(N)=O ZINC001480473478 916430218 /nfs/dbraw/zinc/43/02/18/916430218.db2.gz GABJQPMATLKDLL-DTWKUNHWSA-N 2 2 267.333 -0.690 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)[NH2+]CC(N)=O ZINC001480490612 916436079 /nfs/dbraw/zinc/43/60/79/916436079.db2.gz RFSKRGJBFDIPHC-NXEZZACHSA-N 2 2 279.344 -0.975 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)[NH2+]CC(N)=O ZINC001480490613 916436569 /nfs/dbraw/zinc/43/65/69/916436569.db2.gz RFSKRGJBFDIPHC-UWVGGRQHSA-N 2 2 279.344 -0.975 20 0 CBADLP CCCNC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001480542259 916462967 /nfs/dbraw/zinc/46/29/67/916462967.db2.gz KQIRHOLJHZOHOF-WDEREUQCSA-N 2 2 295.387 -0.039 20 0 CBADLP C[C@@H](CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)[NH2+]CCO ZINC001480774695 916537448 /nfs/dbraw/zinc/53/74/48/916537448.db2.gz NRZWKUDVLGKHRV-NWDGAFQWSA-N 2 2 280.372 -0.078 20 0 CBADLP C[C@H](CCNC(=O)[C@H]1CCn2cc[nH+]c2C1)[NH2+]CCO ZINC001480774694 916537981 /nfs/dbraw/zinc/53/79/81/916537981.db2.gz NRZWKUDVLGKHRV-NEPJUHHUSA-N 2 2 280.372 -0.078 20 0 CBADLP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)[C@H](C)C(N)=O ZINC001480872143 916593677 /nfs/dbraw/zinc/59/36/77/916593677.db2.gz WTFQBTZUCBHECM-NEPJUHHUSA-N 2 2 284.404 -0.217 20 0 CBADLP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)[C@H](C)C(N)=O ZINC001480872143 916593691 /nfs/dbraw/zinc/59/36/91/916593691.db2.gz WTFQBTZUCBHECM-NEPJUHHUSA-N 2 2 284.404 -0.217 20 0 CBADLP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)[C@H](C)C(N)=O ZINC001480872143 916593705 /nfs/dbraw/zinc/59/37/05/916593705.db2.gz WTFQBTZUCBHECM-NEPJUHHUSA-N 2 2 284.404 -0.217 20 0 CBADLP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)[C@H](C)C(N)=O ZINC001480872143 916593718 /nfs/dbraw/zinc/59/37/18/916593718.db2.gz WTFQBTZUCBHECM-NEPJUHHUSA-N 2 2 284.404 -0.217 20 0 CBADLP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC[N@H+](C)CC(=O)N(C)C ZINC001480950880 916649297 /nfs/dbraw/zinc/64/92/97/916649297.db2.gz MAZRFWFZSKXUEW-STQMWFEESA-N 2 2 298.431 -0.005 20 0 CBADLP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC[N@@H+](C)CC(=O)N(C)C ZINC001480950880 916649309 /nfs/dbraw/zinc/64/93/09/916649309.db2.gz MAZRFWFZSKXUEW-STQMWFEESA-N 2 2 298.431 -0.005 20 0 CBADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](CC)CC(N)=O ZINC001480979250 916669819 /nfs/dbraw/zinc/66/98/19/916669819.db2.gz BOWXRXYRUREHKP-GFCCVEGCSA-N 2 2 284.404 -0.216 20 0 CBADLP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH+](CC)CC(N)=O ZINC001480979250 916669826 /nfs/dbraw/zinc/66/98/26/916669826.db2.gz BOWXRXYRUREHKP-GFCCVEGCSA-N 2 2 284.404 -0.216 20 0 CBADLP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@H+](CC)CC(N)=O ZINC001480979250 916669837 /nfs/dbraw/zinc/66/98/37/916669837.db2.gz BOWXRXYRUREHKP-GFCCVEGCSA-N 2 2 284.404 -0.216 20 0 CBADLP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@@H+](CC)CC(N)=O ZINC001480979250 916669852 /nfs/dbraw/zinc/66/98/52/916669852.db2.gz BOWXRXYRUREHKP-GFCCVEGCSA-N 2 2 284.404 -0.216 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH+](CCF)C2CC2)C1 ZINC001481163227 916739909 /nfs/dbraw/zinc/73/99/09/916739909.db2.gz RBTGTNZQJXDVNB-GFCCVEGCSA-N 2 2 273.352 -0.133 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)NCC[NH+](CCF)C2CC2)C1 ZINC001481163227 916739918 /nfs/dbraw/zinc/73/99/18/916739918.db2.gz RBTGTNZQJXDVNB-GFCCVEGCSA-N 2 2 273.352 -0.133 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)NCC[N@H+](CCF)C2CC2)C1 ZINC001481163227 916739930 /nfs/dbraw/zinc/73/99/30/916739930.db2.gz RBTGTNZQJXDVNB-GFCCVEGCSA-N 2 2 273.352 -0.133 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)NCC[N@@H+](CCF)C2CC2)C1 ZINC001481163227 916739938 /nfs/dbraw/zinc/73/99/38/916739938.db2.gz RBTGTNZQJXDVNB-GFCCVEGCSA-N 2 2 273.352 -0.133 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)NCC[NH+](CCF)C2CC2)C1 ZINC001481163229 916741465 /nfs/dbraw/zinc/74/14/65/916741465.db2.gz RBTGTNZQJXDVNB-LBPRGKRZSA-N 2 2 273.352 -0.133 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)NCC[NH+](CCF)C2CC2)C1 ZINC001481163229 916741475 /nfs/dbraw/zinc/74/14/75/916741475.db2.gz RBTGTNZQJXDVNB-LBPRGKRZSA-N 2 2 273.352 -0.133 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)NCC[N@H+](CCF)C2CC2)C1 ZINC001481163229 916741490 /nfs/dbraw/zinc/74/14/90/916741490.db2.gz RBTGTNZQJXDVNB-LBPRGKRZSA-N 2 2 273.352 -0.133 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)NCC[N@@H+](CCF)C2CC2)C1 ZINC001481163229 916741506 /nfs/dbraw/zinc/74/15/06/916741506.db2.gz RBTGTNZQJXDVNB-LBPRGKRZSA-N 2 2 273.352 -0.133 20 0 CBADLP CC[C@@H]([NH2+]CCN(C)C(=O)Cc1c[nH+]c[nH]1)C(N)=O ZINC001481284705 916801155 /nfs/dbraw/zinc/80/11/55/916801155.db2.gz DECUILRFGFIYGN-SNVBAGLBSA-N 2 2 267.333 -0.736 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001481291068 916808621 /nfs/dbraw/zinc/80/86/21/916808621.db2.gz WBBKWDAUUZZHHC-GHMZBOCLSA-N 2 2 295.387 -0.229 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001481291068 916808638 /nfs/dbraw/zinc/80/86/38/916808638.db2.gz WBBKWDAUUZZHHC-GHMZBOCLSA-N 2 2 295.387 -0.229 20 0 CBADLP C[C@H]1C[C@@H](C(=O)NC2C[NH+](CCOCCO)C2)CC[N@@H+]1C ZINC001481577438 916894263 /nfs/dbraw/zinc/89/42/63/916894263.db2.gz BQKUMYUXJMVNGI-STQMWFEESA-N 2 2 299.415 -0.474 20 0 CBADLP C[C@H]1C[C@@H](C(=O)NC2C[NH+](CCOCCO)C2)CC[N@H+]1C ZINC001481577438 916894275 /nfs/dbraw/zinc/89/42/75/916894275.db2.gz BQKUMYUXJMVNGI-STQMWFEESA-N 2 2 299.415 -0.474 20 0 CBADLP C[C@@H](O)C[NH+]1CC(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001481662895 916937883 /nfs/dbraw/zinc/93/78/83/916937883.db2.gz NRSVDLTXHONMRA-SNVBAGLBSA-N 2 2 252.318 -0.688 20 0 CBADLP CC[N@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[NH+]2[C@@H](C)C(=O)NC ZINC001481681586 916939144 /nfs/dbraw/zinc/93/91/44/916939144.db2.gz IHCUZWJXUGDETL-AVGNSLFASA-N 2 2 296.415 -0.252 20 0 CBADLP CC[N@@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[NH+]2[C@@H](C)C(=O)NC ZINC001481681586 916939151 /nfs/dbraw/zinc/93/91/51/916939151.db2.gz IHCUZWJXUGDETL-AVGNSLFASA-N 2 2 296.415 -0.252 20 0 CBADLP CC[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H](C)C(=O)NC ZINC001481681586 916939157 /nfs/dbraw/zinc/93/91/57/916939157.db2.gz IHCUZWJXUGDETL-AVGNSLFASA-N 2 2 296.415 -0.252 20 0 CBADLP CC[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H](C)C(=O)NC ZINC001481681586 916939163 /nfs/dbraw/zinc/93/91/63/916939163.db2.gz IHCUZWJXUGDETL-AVGNSLFASA-N 2 2 296.415 -0.252 20 0 CBADLP CC[C@@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]CC(=O)N(C)C ZINC001481837879 916999128 /nfs/dbraw/zinc/99/91/28/916999128.db2.gz QXGMOXBESSUIHN-LBPRGKRZSA-N 2 2 295.387 -0.154 20 0 CBADLP COCC[N@@H+]1CCO[C@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001482202200 917090465 /nfs/dbraw/zinc/09/04/65/917090465.db2.gz CVFAGFCRGAPFBD-UONOGXRCSA-N 2 2 299.415 -0.208 20 0 CBADLP COCC[N@H+]1CCO[C@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001482202200 917090479 /nfs/dbraw/zinc/09/04/79/917090479.db2.gz CVFAGFCRGAPFBD-UONOGXRCSA-N 2 2 299.415 -0.208 20 0 CBADLP COCC[NH+]1CCO[C@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001482202200 917090494 /nfs/dbraw/zinc/09/04/94/917090494.db2.gz CVFAGFCRGAPFBD-UONOGXRCSA-N 2 2 299.415 -0.208 20 0 CBADLP COCC[NH+]1CCO[C@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001482202200 917090508 /nfs/dbraw/zinc/09/05/08/917090508.db2.gz CVFAGFCRGAPFBD-UONOGXRCSA-N 2 2 299.415 -0.208 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC[C@H]1C[N@H+](C[C@@H](C)O)CCO1 ZINC001482205930 917091194 /nfs/dbraw/zinc/09/11/94/917091194.db2.gz QWAHZVQJLRHWQO-YPMHNXCESA-N 2 2 296.371 -0.611 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC[C@H]1C[N@@H+](C[C@@H](C)O)CCO1 ZINC001482205930 917091201 /nfs/dbraw/zinc/09/12/01/917091201.db2.gz QWAHZVQJLRHWQO-YPMHNXCESA-N 2 2 296.371 -0.611 20 0 CBADLP CC(C)C[C@@H](C[NH2+][C@H](C)C(N)=O)NC(=O)Cn1cc[nH+]c1 ZINC001482400315 917142986 /nfs/dbraw/zinc/14/29/86/917142986.db2.gz JMTUCLDPHNHEPC-NEPJUHHUSA-N 2 2 295.387 -0.123 20 0 CBADLP NC(=O)C[NH2+]CC[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001482458831 917145838 /nfs/dbraw/zinc/14/58/38/917145838.db2.gz OKPKCMDMZZFYSI-LLVKDONJSA-N 2 2 293.371 -0.202 20 0 CBADLP NC(=O)C[NH2+]CC[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001482458832 917147628 /nfs/dbraw/zinc/14/76/28/917147628.db2.gz OKPKCMDMZZFYSI-NSHDSACASA-N 2 2 293.371 -0.202 20 0 CBADLP CCNC(=O)C[N@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001482650325 917196213 /nfs/dbraw/zinc/19/62/13/917196213.db2.gz UZTWLINUZHKMBL-LBPRGKRZSA-N 2 2 284.404 -0.536 20 0 CBADLP CCNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001482650325 917196221 /nfs/dbraw/zinc/19/62/21/917196221.db2.gz UZTWLINUZHKMBL-LBPRGKRZSA-N 2 2 284.404 -0.536 20 0 CBADLP CCNC(=O)C[NH+](C)CCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001482650325 917196229 /nfs/dbraw/zinc/19/62/29/917196229.db2.gz UZTWLINUZHKMBL-LBPRGKRZSA-N 2 2 284.404 -0.536 20 0 CBADLP CCNC(=O)C[NH+](C)CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001482650325 917196236 /nfs/dbraw/zinc/19/62/36/917196236.db2.gz UZTWLINUZHKMBL-LBPRGKRZSA-N 2 2 284.404 -0.536 20 0 CBADLP NC(=O)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001482683925 917205942 /nfs/dbraw/zinc/20/59/42/917205942.db2.gz KDTFRWHSHSZPRA-VXGBXAGGSA-N 2 2 293.371 -0.367 20 0 CBADLP COCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001482743905 917247433 /nfs/dbraw/zinc/24/74/33/917247433.db2.gz LMFAGKQHKYGRGB-NWDGAFQWSA-N 2 2 296.371 -0.841 20 0 CBADLP CC[NH2+]C[C@@H](O)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001482776653 917272720 /nfs/dbraw/zinc/27/27/20/917272720.db2.gz GGROTWPFZICZGM-MWLCHTKSSA-N 2 2 254.334 -0.325 20 0 CBADLP CC[NH2+]C[C@@H](O)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001482776653 917272727 /nfs/dbraw/zinc/27/27/27/917272727.db2.gz GGROTWPFZICZGM-MWLCHTKSSA-N 2 2 254.334 -0.325 20 0 CBADLP C[C@@H](CC[NH2+]CCO)NC(=O)CCc1c[nH]c[nH+]1 ZINC001482838214 917308525 /nfs/dbraw/zinc/30/85/25/917308525.db2.gz DNWITZDAGDFCED-JTQLQIEISA-N 2 2 254.334 -0.181 20 0 CBADLP C[C@@H](CC[NH2+]CCO)NC(=O)CCc1c[nH+]c[nH]1 ZINC001482838214 917308533 /nfs/dbraw/zinc/30/85/33/917308533.db2.gz DNWITZDAGDFCED-JTQLQIEISA-N 2 2 254.334 -0.181 20 0 CBADLP C[C@H](CC[NH2+]CCO)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001482846940 917309831 /nfs/dbraw/zinc/30/98/31/917309831.db2.gz YNAAEBSUQSQTAC-NEPJUHHUSA-N 2 2 280.372 -0.078 20 0 CBADLP C[C@H](CC[NH2+]CCO)NC(=O)Cc1c[nH+]cn1C ZINC001482888415 917325990 /nfs/dbraw/zinc/32/59/90/917325990.db2.gz KEJFZUWAFROAIA-SNVBAGLBSA-N 2 2 254.334 -0.561 20 0 CBADLP CNC(=O)C[NH2+]CC[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001482906370 917327804 /nfs/dbraw/zinc/32/78/04/917327804.db2.gz WZGVUTHHQHLWLG-JTQLQIEISA-N 2 2 267.333 -0.887 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N[C@H](C)CC[NH2+]Cc1nnn(C)n1 ZINC001482900580 917330021 /nfs/dbraw/zinc/33/00/21/917330021.db2.gz DUOXSJIZRWFDAW-LLVKDONJSA-N 2 2 297.407 -0.465 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N[C@H](C)CC[NH2+]Cc1nnn(C)n1 ZINC001482900580 917330039 /nfs/dbraw/zinc/33/00/39/917330039.db2.gz DUOXSJIZRWFDAW-LLVKDONJSA-N 2 2 297.407 -0.465 20 0 CBADLP CCN(CC[NH2+]CC(N)=O)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001482935956 917341145 /nfs/dbraw/zinc/34/11/45/917341145.db2.gz OUCCAMMTKBOVPJ-NSHDSACASA-N 2 2 293.371 -0.631 20 0 CBADLP CCN(CC[NH2+][C@@H]1CCN(C)C1=O)C(=O)Cc1[nH]cc[nH+]1 ZINC001482959997 917351919 /nfs/dbraw/zinc/35/19/19/917351919.db2.gz LRZRQINXKBHXJC-LLVKDONJSA-N 2 2 293.371 -0.379 20 0 CBADLP O=C(CCn1cc[nH+]c1)NC/C=C/C[NH2+][C@@H]1CCNC1=O ZINC001483046954 917387483 /nfs/dbraw/zinc/38/74/83/917387483.db2.gz UHQTZJCCINDGAA-YYRQZUAOSA-N 2 2 291.355 -0.576 20 0 CBADLP CC[C@H](C(=O)N[C@H](C)C[NH2+]CCS(C)(=O)=O)[NH+](C)C ZINC001483185950 917457486 /nfs/dbraw/zinc/45/74/86/917457486.db2.gz HEDYVYYTCMZRJN-GHMZBOCLSA-N 2 2 293.433 -0.535 20 0 CBADLP C[C@H](C[NH2+]CCn1cncn1)NC(=O)Cc1c[nH+]cn1C ZINC001483183752 917457810 /nfs/dbraw/zinc/45/78/10/917457810.db2.gz CZLQETQBHWRXOV-LLVKDONJSA-N 2 2 291.359 -0.651 20 0 CBADLP CCn1nncc1C[NH2+]C[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001483199638 917461541 /nfs/dbraw/zinc/46/15/41/917461541.db2.gz PSNYBZMKCYPUCX-LLVKDONJSA-N 2 2 291.359 -0.211 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+](C)C[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001483407436 917556950 /nfs/dbraw/zinc/55/69/50/917556950.db2.gz LUPKXEKEHINYSR-PWSUYJOCSA-N 2 2 295.387 -0.337 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+](C)C[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001483407436 917556961 /nfs/dbraw/zinc/55/69/61/917556961.db2.gz LUPKXEKEHINYSR-PWSUYJOCSA-N 2 2 295.387 -0.337 20 0 CBADLP CN(CCC[NH2+][C@@H]1CCNC1=O)C(=O)Cc1[nH]cc[nH+]1 ZINC001483500610 917580923 /nfs/dbraw/zinc/58/09/23/917580923.db2.gz WANUCMHRSILDMP-SNVBAGLBSA-N 2 2 279.344 -0.721 20 0 CBADLP CN(CCC[NH2+][C@H]1CCN(C)C1=O)C(=O)Cc1c[nH+]c[nH]1 ZINC001483495159 917581375 /nfs/dbraw/zinc/58/13/75/917581375.db2.gz QWMANNGIPHZRHG-LBPRGKRZSA-N 2 2 293.371 -0.379 20 0 CBADLP C[C@@H](CC(=O)N(C)CCC[NH2+]CC(N)=O)n1cc[nH+]c1 ZINC001483494455 917582747 /nfs/dbraw/zinc/58/27/47/917582747.db2.gz LOBLXAUUIOITDJ-NSHDSACASA-N 2 2 281.360 -0.242 20 0 CBADLP CNC(=O)C[NH2+]CCCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001483494540 917583149 /nfs/dbraw/zinc/58/31/49/917583149.db2.gz HYURYWKKOWHRRE-UHFFFAOYSA-N 2 2 267.333 -0.864 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N(C)C1C[NH+](CCOCCO)C1 ZINC001483890915 917699727 /nfs/dbraw/zinc/69/97/27/917699727.db2.gz MSUOZJCKXCIPFT-UHFFFAOYSA-N 2 2 296.371 -0.657 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+]1CC[C@](C)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001484075193 917736235 /nfs/dbraw/zinc/73/62/35/917736235.db2.gz WBVUBHCASOQJLP-FZMZJTMJSA-N 2 2 293.371 -0.272 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+]1CC[C@](C)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001484075193 917736251 /nfs/dbraw/zinc/73/62/51/917736251.db2.gz WBVUBHCASOQJLP-FZMZJTMJSA-N 2 2 293.371 -0.272 20 0 CBADLP COCCC[NH+]1CC(O)(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001484295497 917819971 /nfs/dbraw/zinc/81/99/71/917819971.db2.gz YCOAQARGFXFXIX-CYBMUJFWSA-N 2 2 299.415 -0.472 20 0 CBADLP COCCC[NH+]1CC(O)(CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001484295497 917819988 /nfs/dbraw/zinc/81/99/88/917819988.db2.gz YCOAQARGFXFXIX-CYBMUJFWSA-N 2 2 299.415 -0.472 20 0 CBADLP C[NH+](C)CCC(=O)NCC1(O)C[NH+](C[C@H]2CCCCO2)C1 ZINC001484293275 917820020 /nfs/dbraw/zinc/82/00/20/917820020.db2.gz DBEZCZQYCCZSFF-CYBMUJFWSA-N 2 2 299.415 -0.330 20 0 CBADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[N@H+](C)CCn1cncn1 ZINC001485358171 918095046 /nfs/dbraw/zinc/09/50/46/918095046.db2.gz QLTWSECIHNXBLL-NSHDSACASA-N 2 2 291.359 -0.320 20 0 CBADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[N@@H+](C)CCn1cncn1 ZINC001485358171 918095057 /nfs/dbraw/zinc/09/50/57/918095057.db2.gz QLTWSECIHNXBLL-NSHDSACASA-N 2 2 291.359 -0.320 20 0 CBADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[N@H+](C)[C@H]1CCCNC1=O ZINC001485395237 918108616 /nfs/dbraw/zinc/10/86/16/918108616.db2.gz LIQMKPGFZBQMPT-NEPJUHHUSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[N@@H+](C)[C@H]1CCCNC1=O ZINC001485395237 918108630 /nfs/dbraw/zinc/10/86/30/918108630.db2.gz LIQMKPGFZBQMPT-NEPJUHHUSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[N@H+](C)[C@@H]1CCNC1=O ZINC001485394461 918108936 /nfs/dbraw/zinc/10/89/36/918108936.db2.gz GNQGDQRGLYZHDC-WDEREUQCSA-N 2 2 279.344 -0.792 20 0 CBADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[N@@H+](C)[C@@H]1CCNC1=O ZINC001485394461 918108942 /nfs/dbraw/zinc/10/89/42/918108942.db2.gz GNQGDQRGLYZHDC-WDEREUQCSA-N 2 2 279.344 -0.792 20 0 CBADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[N@H+](C)[C@@H]1CCCNC1=O ZINC001485395241 918110290 /nfs/dbraw/zinc/11/02/90/918110290.db2.gz LIQMKPGFZBQMPT-VXGBXAGGSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[N@@H+](C)[C@@H]1CCCNC1=O ZINC001485395241 918110302 /nfs/dbraw/zinc/11/03/02/918110302.db2.gz LIQMKPGFZBQMPT-VXGBXAGGSA-N 2 2 293.371 -0.402 20 0 CBADLP CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)Cn2c[nH+]cc2C)C1 ZINC001485512730 918136503 /nfs/dbraw/zinc/13/65/03/918136503.db2.gz RCFZEFVRDFNYDR-LLVKDONJSA-N 2 2 293.371 -0.626 20 0 CBADLP C[C@@H](NC(=O)C[NH+]1CCCC1)C1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001485537755 918140738 /nfs/dbraw/zinc/14/07/38/918140738.db2.gz SOHRTWKBQAJYKV-MNOVXSKESA-N 2 2 282.388 -0.608 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC001485624956 918157617 /nfs/dbraw/zinc/15/76/17/918157617.db2.gz YMZACDGRXPBXLN-XYYAHUGASA-N 2 2 292.383 -0.063 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC001485624956 918157628 /nfs/dbraw/zinc/15/76/28/918157628.db2.gz YMZACDGRXPBXLN-XYYAHUGASA-N 2 2 292.383 -0.063 20 0 CBADLP CN(C)C(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001485706574 918170513 /nfs/dbraw/zinc/17/05/13/918170513.db2.gz CTTMGZFVHVXRAB-HAQNSBGRSA-N 2 2 293.371 -0.544 20 0 CBADLP C[C@H](CCC[NH2+]CC(N)=O)NC(=O)Cc1[nH]cc[nH+]1 ZINC001485742668 918182926 /nfs/dbraw/zinc/18/29/26/918182926.db2.gz CGUIONIGYWETMX-SECBINFHSA-N 2 2 267.333 -0.688 20 0 CBADLP CNC(=O)C[NH2+][C@H](CCNC(=O)Cn1cc[nH+]c1)C(C)C ZINC001485792904 918191834 /nfs/dbraw/zinc/19/18/34/918191834.db2.gz HBHULQNGTXVDKV-GFCCVEGCSA-N 2 2 295.387 -0.250 20 0 CBADLP C[C@@H](CN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1)[NH2+]CCO ZINC001485893170 918222028 /nfs/dbraw/zinc/22/20/28/918222028.db2.gz IJXVKVZEXHWMCV-NWDGAFQWSA-N 2 2 280.372 -0.126 20 0 CBADLP C[C@@H]([NH2+][C@@H](C)CN(C)C(=O)Cn1cc[nH+]c1)C(N)=O ZINC001485961821 918238186 /nfs/dbraw/zinc/23/81/86/918238186.db2.gz HAABBYLYPBJOQJ-VHSXEESVSA-N 2 2 267.333 -0.807 20 0 CBADLP C[C@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+][C@H]1CCN(C)C1=O ZINC001485963508 918246115 /nfs/dbraw/zinc/24/61/15/918246115.db2.gz RLLDRLLQZKMNNQ-NEPJUHHUSA-N 2 2 293.371 -0.450 20 0 CBADLP COCC[NH2+][C@H](CO)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001486011494 918302272 /nfs/dbraw/zinc/30/22/72/918302272.db2.gz VGOGWXLJYDTURD-RYUDHWBXSA-N 2 2 296.371 -0.841 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@H](CO)[NH2+]C[C@H]1CCCOC1 ZINC001486038224 918330925 /nfs/dbraw/zinc/33/09/25/918330925.db2.gz KURFCQDGURIEKN-YPMHNXCESA-N 2 2 296.371 -0.555 20 0 CBADLP CCCC[NH2+][C@@H](CO)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001486048836 918344769 /nfs/dbraw/zinc/34/47/69/918344769.db2.gz WNMOCPCNJNJFIF-SNVBAGLBSA-N 2 2 254.334 -0.181 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[C@H](C[NH2+]CC(N)=O)C1 ZINC001486214122 918385646 /nfs/dbraw/zinc/38/56/46/918385646.db2.gz BJATWQBGFSRWKG-QWRGUYRKSA-N 2 2 293.371 -0.678 20 0 CBADLP CN(C[C@@H](O)C[N@H+](C)CCCO)C(=O)Cc1c[nH+]cn1C ZINC001486357098 918451048 /nfs/dbraw/zinc/45/10/48/918451048.db2.gz VPMAISFKLYBYLT-ZDUSSCGKSA-N 2 2 298.387 -0.904 20 0 CBADLP CN(C[C@@H](O)C[N@@H+](C)CCCO)C(=O)Cc1c[nH+]cn1C ZINC001486357098 918451055 /nfs/dbraw/zinc/45/10/55/918451055.db2.gz VPMAISFKLYBYLT-ZDUSSCGKSA-N 2 2 298.387 -0.904 20 0 CBADLP CN(C(=O)CCc1[nH+]ccn1C)C1CC([NH2+]CCO)C1 ZINC001486472382 918468196 /nfs/dbraw/zinc/46/81/96/918468196.db2.gz DXVYGVPOIWNYPY-UHFFFAOYSA-N 2 2 280.372 -0.076 20 0 CBADLP CCNC(=O)C[NH2+]C1CC(N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001486477236 918470846 /nfs/dbraw/zinc/47/08/46/918470846.db2.gz HQOYDNOBXDVHLN-UHFFFAOYSA-N 2 2 293.371 -0.333 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NCC1=CC[N@H+](CCO)CC1 ZINC001486517744 918477732 /nfs/dbraw/zinc/47/77/32/918477732.db2.gz JWXLZTMXHBDTJI-UHFFFAOYSA-N 2 2 264.329 -0.307 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NCC1=CC[N@@H+](CCO)CC1 ZINC001486517744 918477748 /nfs/dbraw/zinc/47/77/48/918477748.db2.gz JWXLZTMXHBDTJI-UHFFFAOYSA-N 2 2 264.329 -0.307 20 0 CBADLP CC[N@H+](C)CCC(=O)N(C)C[C@@H]1CC[NH+]1[C@@H](C)C(N)=O ZINC001488676907 918748077 /nfs/dbraw/zinc/74/80/77/918748077.db2.gz LLVPMYRMRVSACK-RYUDHWBXSA-N 2 2 284.404 -0.265 20 0 CBADLP CC[N@@H+](C)CCC(=O)N(C)C[C@@H]1CC[NH+]1[C@@H](C)C(N)=O ZINC001488676907 918748093 /nfs/dbraw/zinc/74/80/93/918748093.db2.gz LLVPMYRMRVSACK-RYUDHWBXSA-N 2 2 284.404 -0.265 20 0 CBADLP CC[NH+](C)CCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@@H](C)C(N)=O ZINC001488676907 918748106 /nfs/dbraw/zinc/74/81/06/918748106.db2.gz LLVPMYRMRVSACK-RYUDHWBXSA-N 2 2 284.404 -0.265 20 0 CBADLP CC[NH+](C)CCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@@H](C)C(N)=O ZINC001488676907 918748118 /nfs/dbraw/zinc/74/81/18/918748118.db2.gz LLVPMYRMRVSACK-RYUDHWBXSA-N 2 2 284.404 -0.265 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N(C)C[C@H]1CC[NH+]1CC(=O)N(C)C ZINC001488699117 918754765 /nfs/dbraw/zinc/75/47/65/918754765.db2.gz NGCMMMHJUPSJMD-CYBMUJFWSA-N 2 2 298.431 -0.053 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N(C)C[C@H]1CC[NH+]1CC(=O)N(C)C ZINC001488699117 918754777 /nfs/dbraw/zinc/75/47/77/918754777.db2.gz NGCMMMHJUPSJMD-CYBMUJFWSA-N 2 2 298.431 -0.053 20 0 CBADLP CC(C)[NH+](C)CC(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)N(C)C ZINC001488699117 918754793 /nfs/dbraw/zinc/75/47/93/918754793.db2.gz NGCMMMHJUPSJMD-CYBMUJFWSA-N 2 2 298.431 -0.053 20 0 CBADLP CC(C)[NH+](C)CC(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)N(C)C ZINC001488699117 918754803 /nfs/dbraw/zinc/75/48/03/918754803.db2.gz NGCMMMHJUPSJMD-CYBMUJFWSA-N 2 2 298.431 -0.053 20 0 CBADLP C[N@H+](CCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)CC(N)=O ZINC001490217253 918867714 /nfs/dbraw/zinc/86/77/14/918867714.db2.gz LVBJEOPDGWIXOQ-LLVKDONJSA-N 2 2 293.371 -0.631 20 0 CBADLP C[N@@H+](CCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)CC(N)=O ZINC001490217253 918867732 /nfs/dbraw/zinc/86/77/32/918867732.db2.gz LVBJEOPDGWIXOQ-LLVKDONJSA-N 2 2 293.371 -0.631 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+](C)CCCNC(=O)Cc1[nH]c[nH+]c1C ZINC001490276985 918883230 /nfs/dbraw/zinc/88/32/30/918883230.db2.gz MOMBVMKWTWEUIL-LLVKDONJSA-N 2 2 295.387 -0.167 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+](C)CCCNC(=O)Cc1[nH]c[nH+]c1C ZINC001490276985 918883249 /nfs/dbraw/zinc/88/32/49/918883249.db2.gz MOMBVMKWTWEUIL-LLVKDONJSA-N 2 2 295.387 -0.167 20 0 CBADLP CC[N@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)[C@@H]1CCNC1=O ZINC001490352265 918898820 /nfs/dbraw/zinc/89/88/20/918898820.db2.gz WYIHULXPUCUYJP-LLVKDONJSA-N 2 2 293.371 -0.331 20 0 CBADLP CC[N@@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)[C@@H]1CCNC1=O ZINC001490352265 918898827 /nfs/dbraw/zinc/89/88/27/918898827.db2.gz WYIHULXPUCUYJP-LLVKDONJSA-N 2 2 293.371 -0.331 20 0 CBADLP O=C(NC[C@@H]([NH2+]CCO)C1CC1)[C@H]1CCn2cc[nH+]c2C1 ZINC001490685069 918959550 /nfs/dbraw/zinc/95/95/50/918959550.db2.gz WZLSTOMQYFPWBP-QWHCGFSZSA-N 2 2 292.383 -0.078 20 0 CBADLP O=C(NC[C@@H]([NH2+]CCO)C1CC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001490682292 918960284 /nfs/dbraw/zinc/96/02/84/918960284.db2.gz JCTZUWJDLAIGKF-TZMCWYRMSA-N 2 2 292.383 -0.078 20 0 CBADLP O=C(NC[C@H]([NH2+]CCO)C1CC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001490685068 918961596 /nfs/dbraw/zinc/96/15/96/918961596.db2.gz WZLSTOMQYFPWBP-OLZOCXBDSA-N 2 2 292.383 -0.078 20 0 CBADLP COCC[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001490847979 918976447 /nfs/dbraw/zinc/97/64/47/918976447.db2.gz MPEYTQNVYVIYOO-JTQLQIEISA-N 2 2 252.318 -0.211 20 0 CBADLP COCC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001490860132 918978191 /nfs/dbraw/zinc/97/81/91/918978191.db2.gz IHSXWOJDJBPTGD-NSHDSACASA-N 2 2 252.318 -0.280 20 0 CBADLP CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001491070303 919021934 /nfs/dbraw/zinc/02/19/34/919021934.db2.gz UZWNKOCAAYMKAW-PHIMTYICSA-N 2 2 293.371 -0.665 20 0 CBADLP CCN(CC)C(=O)C[NH2+][C@@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001491591185 919219274 /nfs/dbraw/zinc/21/92/74/919219274.db2.gz TXNIWZXUIPXIEP-NSHDSACASA-N 2 2 295.387 -0.085 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)[NH2+]CCCO ZINC001491652007 919242434 /nfs/dbraw/zinc/24/24/34/919242434.db2.gz USFODUSTOUSDEK-VIFPVBQESA-N 2 2 254.334 -0.263 20 0 CBADLP CC[C@H]([NH2+][C@H](C)CNC(=O)CCc1c[nH+]cn1C)C(N)=O ZINC001491656724 919243655 /nfs/dbraw/zinc/24/36/55/919243655.db2.gz KBPIELAPUNYGQY-PWSUYJOCSA-N 2 2 295.387 -0.289 20 0 CBADLP C[C@@H]([NH2+][C@@H](C)CCNC(=O)Cc1c[nH]c[nH+]1)C(N)=O ZINC001492090179 919322864 /nfs/dbraw/zinc/32/28/64/919322864.db2.gz LSXZEGNGWYQEIV-DTWKUNHWSA-N 2 2 267.333 -0.690 20 0 CBADLP CC[C@H]([NH2+][C@H](C)CCNC(=O)Cc1c[nH+]cn1C)C(N)=O ZINC001492110774 919327624 /nfs/dbraw/zinc/32/76/24/919327624.db2.gz QJZPQEHJAZKKBO-PWSUYJOCSA-N 2 2 295.387 -0.289 20 0 CBADLP Cn1cc(C[N@H+](C)CCNC(=O)[C@@H]2C[NH+](C)CCO2)cn1 ZINC001492221314 919363586 /nfs/dbraw/zinc/36/35/86/919363586.db2.gz SVUZCIAHCPVPKN-ZDUSSCGKSA-N 2 2 295.387 -0.701 20 0 CBADLP Cn1cc(C[N@@H+](C)CCNC(=O)[C@@H]2C[NH+](C)CCO2)cn1 ZINC001492221314 919363602 /nfs/dbraw/zinc/36/36/02/919363602.db2.gz SVUZCIAHCPVPKN-ZDUSSCGKSA-N 2 2 295.387 -0.701 20 0 CBADLP Cn1cc(C[NH+](C)CCNC(=O)[C@@H]2C[N@H+](C)CCO2)cn1 ZINC001492221314 919363617 /nfs/dbraw/zinc/36/36/17/919363617.db2.gz SVUZCIAHCPVPKN-ZDUSSCGKSA-N 2 2 295.387 -0.701 20 0 CBADLP Cn1cc(C[NH+](C)CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)cn1 ZINC001492221314 919363633 /nfs/dbraw/zinc/36/36/33/919363633.db2.gz SVUZCIAHCPVPKN-ZDUSSCGKSA-N 2 2 295.387 -0.701 20 0 CBADLP C[N@@H+](CCCO)CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001492309457 919387833 /nfs/dbraw/zinc/38/78/33/919387833.db2.gz TWUGAMLEHUUUID-LBPRGKRZSA-N 2 2 280.372 -0.124 20 0 CBADLP C[C@@H](O)C[N@H+](C)CCNC(=O)CCc1c[nH+]cn1C ZINC001492834888 919435420 /nfs/dbraw/zinc/43/54/20/919435420.db2.gz ARGOBTVMUGGKPD-LLVKDONJSA-N 2 2 268.361 -0.219 20 0 CBADLP C[C@@H](O)C[N@@H+](C)CCNC(=O)CCc1c[nH+]cn1C ZINC001492834888 919435429 /nfs/dbraw/zinc/43/54/29/919435429.db2.gz ARGOBTVMUGGKPD-LLVKDONJSA-N 2 2 268.361 -0.219 20 0 CBADLP CC[N@H+](CCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21)CC(N)=O ZINC001493028758 919469303 /nfs/dbraw/zinc/46/93/03/919469303.db2.gz GKLFAHCSMSJLIW-OLZOCXBDSA-N 2 2 296.415 -0.073 20 0 CBADLP CC[N@@H+](CCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21)CC(N)=O ZINC001493028758 919469308 /nfs/dbraw/zinc/46/93/08/919469308.db2.gz GKLFAHCSMSJLIW-OLZOCXBDSA-N 2 2 296.415 -0.073 20 0 CBADLP CC[NH+](CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21)CC(N)=O ZINC001493028758 919469310 /nfs/dbraw/zinc/46/93/10/919469310.db2.gz GKLFAHCSMSJLIW-OLZOCXBDSA-N 2 2 296.415 -0.073 20 0 CBADLP CC[NH+](CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21)CC(N)=O ZINC001493028758 919469316 /nfs/dbraw/zinc/46/93/16/919469316.db2.gz GKLFAHCSMSJLIW-OLZOCXBDSA-N 2 2 296.415 -0.073 20 0 CBADLP CC[N@H+](CCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21)CC(N)=O ZINC001493028749 919470030 /nfs/dbraw/zinc/47/00/30/919470030.db2.gz GKLFAHCSMSJLIW-CHWSQXEVSA-N 2 2 296.415 -0.073 20 0 CBADLP CC[N@@H+](CCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21)CC(N)=O ZINC001493028749 919470038 /nfs/dbraw/zinc/47/00/38/919470038.db2.gz GKLFAHCSMSJLIW-CHWSQXEVSA-N 2 2 296.415 -0.073 20 0 CBADLP CC[NH+](CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21)CC(N)=O ZINC001493028749 919470043 /nfs/dbraw/zinc/47/00/43/919470043.db2.gz GKLFAHCSMSJLIW-CHWSQXEVSA-N 2 2 296.415 -0.073 20 0 CBADLP CC[NH+](CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21)CC(N)=O ZINC001493028749 919470049 /nfs/dbraw/zinc/47/00/49/919470049.db2.gz GKLFAHCSMSJLIW-CHWSQXEVSA-N 2 2 296.415 -0.073 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001493240356 919509438 /nfs/dbraw/zinc/50/94/38/919509438.db2.gz KDAGNZYGYZHZMX-CMPLNLGQSA-N 2 2 293.371 -0.346 20 0 CBADLP CC[C@H](C(N)=O)[N@H+]1CC[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001493240356 919509452 /nfs/dbraw/zinc/50/94/52/919509452.db2.gz KDAGNZYGYZHZMX-CMPLNLGQSA-N 2 2 293.371 -0.346 20 0 CBADLP C[C@@H](O)C[NH2+]CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001493585391 919584106 /nfs/dbraw/zinc/58/41/06/919584106.db2.gz UGUUWDOLDGDRFN-GMTAPVOTSA-N 2 2 266.345 -0.058 20 0 CBADLP C[C@@H](O)C[NH2+]CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001493585391 919584114 /nfs/dbraw/zinc/58/41/14/919584114.db2.gz UGUUWDOLDGDRFN-GMTAPVOTSA-N 2 2 266.345 -0.058 20 0 CBADLP CCCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@H]1CC[N@H+](CCO)C1 ZINC001493948605 919636832 /nfs/dbraw/zinc/63/68/32/919636832.db2.gz ODMNNHRUVTXGFS-UONOGXRCSA-N 2 2 299.415 -0.378 20 0 CBADLP CCCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@H]1CC[N@@H+](CCO)C1 ZINC001493948605 919636845 /nfs/dbraw/zinc/63/68/45/919636845.db2.gz ODMNNHRUVTXGFS-UONOGXRCSA-N 2 2 299.415 -0.378 20 0 CBADLP CCCN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@H]1CC[NH+](CCO)C1 ZINC001493948605 919636857 /nfs/dbraw/zinc/63/68/57/919636857.db2.gz ODMNNHRUVTXGFS-UONOGXRCSA-N 2 2 299.415 -0.378 20 0 CBADLP CCCN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@H]1CC[NH+](CCO)C1 ZINC001493948605 919636867 /nfs/dbraw/zinc/63/68/67/919636867.db2.gz ODMNNHRUVTXGFS-UONOGXRCSA-N 2 2 299.415 -0.378 20 0 CBADLP CC[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@H]1CCN(C)C1=O ZINC001495078638 919856252 /nfs/dbraw/zinc/85/62/52/919856252.db2.gz BYSGGHKAEWCRKD-QWRGUYRKSA-N 2 2 293.371 -0.333 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)C[NH2+]CCO ZINC001495693995 919926351 /nfs/dbraw/zinc/92/63/51/919926351.db2.gz GGVLHUIIGDNLLH-VXGBXAGGSA-N 2 2 280.372 -0.220 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)C[NH2+]CC(N)=O ZINC001495697082 919931943 /nfs/dbraw/zinc/93/19/43/919931943.db2.gz SXMCKLGJWIPTKL-GHMZBOCLSA-N 2 2 293.371 -0.727 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)C[NH2+][C@@H](C)C(N)=O ZINC001495798533 919944651 /nfs/dbraw/zinc/94/46/51/919944651.db2.gz XWUHTAHDVSWSGI-WPRPVWTQSA-N 2 2 281.360 -0.524 20 0 CBADLP CC(C)NC(=O)C[NH2+]C[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001495816034 919954373 /nfs/dbraw/zinc/95/43/73/919954373.db2.gz VFHVZLLWRGPRQY-LBPRGKRZSA-N 2 2 295.387 -0.250 20 0 CBADLP COCC[N@@H+]1CCO[C@@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001495880930 919976929 /nfs/dbraw/zinc/97/69/29/919976929.db2.gz BYBFWZZOLZLIQQ-ZDUSSCGKSA-N 2 2 296.371 -0.345 20 0 CBADLP COCC[N@H+]1CCO[C@@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001495880930 919976944 /nfs/dbraw/zinc/97/69/44/919976944.db2.gz BYBFWZZOLZLIQQ-ZDUSSCGKSA-N 2 2 296.371 -0.345 20 0 CBADLP C[C@H](C[NH2+]CC(N)=O)N(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001496077423 920023918 /nfs/dbraw/zinc/02/39/18/920023918.db2.gz DOQNRORRSAUJAV-SECBINFHSA-N 2 2 267.333 -0.736 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001496219127 920042735 /nfs/dbraw/zinc/04/27/35/920042735.db2.gz USFUGQLRJNUCHY-GXSJLCMTSA-N 2 2 295.387 -0.168 20 0 CBADLP C[C@@H](C[NH2+]CC(=O)N(C)C)N(C)C(=O)Cn1cc[nH+]c1 ZINC001496245420 920050128 /nfs/dbraw/zinc/05/01/28/920050128.db2.gz UEQBGZASYIVBCS-NSHDSACASA-N 2 2 281.360 -0.592 20 0 CBADLP C[C@H](C[NH2+]CC(=O)N(C)C)N(C)C(=O)Cn1cc[nH+]c1 ZINC001496245418 920053111 /nfs/dbraw/zinc/05/31/11/920053111.db2.gz UEQBGZASYIVBCS-LLVKDONJSA-N 2 2 281.360 -0.592 20 0 CBADLP C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)[C@H]1C[NH2+]CC(N)=O ZINC001496492706 920077217 /nfs/dbraw/zinc/07/72/17/920077217.db2.gz XUVUKMQDJHKTHG-RYUDHWBXSA-N 2 2 293.371 -0.415 20 0 CBADLP CC(C)[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]C[C@H](C)O ZINC001496641152 920100347 /nfs/dbraw/zinc/10/03/47/920100347.db2.gz HCUTYWYFRPMPNX-NWDGAFQWSA-N 2 2 268.361 -0.006 20 0 CBADLP C[C@H](O)C[NH2+]CC[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001497300275 920281896 /nfs/dbraw/zinc/28/18/96/920281896.db2.gz XNKVVQUAHPMASJ-UWVGGRQHSA-N 2 2 254.334 -0.183 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]CC[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001497336685 920283556 /nfs/dbraw/zinc/28/35/56/920283556.db2.gz IBJDHHCSNLXCRS-MNOVXSKESA-N 2 2 281.360 -0.498 20 0 CBADLP C[C@H](CC[NH2+][C@@H]1CCNC1=O)NC(=O)Cn1cc[nH+]c1 ZINC001497338100 920283890 /nfs/dbraw/zinc/28/38/90/920283890.db2.gz YPMKRLVIUCXMRR-GHMZBOCLSA-N 2 2 279.344 -0.744 20 0 CBADLP CCN(CC[NH2+][C@H](C)C(N)=O)C(=O)CCc1c[nH]c[nH+]1 ZINC001497404689 920302476 /nfs/dbraw/zinc/30/24/76/920302476.db2.gz MUZHKGCBRGSIEO-SNVBAGLBSA-N 2 2 281.360 -0.346 20 0 CBADLP CCN(CC[NH2+][C@H](C)C(N)=O)C(=O)CCc1c[nH+]c[nH]1 ZINC001497404689 920302494 /nfs/dbraw/zinc/30/24/94/920302494.db2.gz MUZHKGCBRGSIEO-SNVBAGLBSA-N 2 2 281.360 -0.346 20 0 CBADLP O=C(C[NH2+]C/C=C/CNC(=O)Cc1c[nH]c[nH+]1)NC1CC1 ZINC001497684729 920366308 /nfs/dbraw/zinc/36/63/08/920366308.db2.gz GHKOVLLGIJRDPH-OWOJBTEDSA-N 2 2 291.355 -0.507 20 0 CBADLP CN1CC[C@@H]([NH2+]C/C=C\CNC(=O)Cc2[nH]cc[nH+]2)C1=O ZINC001497713280 920375330 /nfs/dbraw/zinc/37/53/30/920375330.db2.gz GBDVAEZVIXMMEE-OTDNITJGSA-N 2 2 291.355 -0.555 20 0 CBADLP C[C@H](C[NH2+][C@@H]1CCCNC1=O)NC(=O)CCc1c[nH]c[nH+]1 ZINC001497826567 920403679 /nfs/dbraw/zinc/40/36/79/920403679.db2.gz DQSNPBFHGMLOAP-ZYHUDNBSSA-N 2 2 293.371 -0.285 20 0 CBADLP C[C@H](C[NH2+][C@@H]1CCCNC1=O)NC(=O)CCc1c[nH+]c[nH]1 ZINC001497826567 920403687 /nfs/dbraw/zinc/40/36/87/920403687.db2.gz DQSNPBFHGMLOAP-ZYHUDNBSSA-N 2 2 293.371 -0.285 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)C[NH2+]Cc1cnnn1C ZINC001497970941 920428759 /nfs/dbraw/zinc/42/87/59/920428759.db2.gz GQBMLTKQFKCZLX-SECBINFHSA-N 2 2 291.359 -0.316 20 0 CBADLP C[C@@H]([NH2+]C[C@H](C)NC(=O)CCc1c[nH+]cn1C)C(N)=O ZINC001498176354 920510895 /nfs/dbraw/zinc/51/08/95/920510895.db2.gz IOCQYBLEYPPVMF-VHSXEESVSA-N 2 2 281.360 -0.679 20 0 CBADLP CN(C)C(=O)C[N@@H+]1CC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001498992194 920680623 /nfs/dbraw/zinc/68/06/23/920680623.db2.gz WEXLALBNYMPAPO-ZDUSSCGKSA-N 2 2 296.415 -0.251 20 0 CBADLP CN(C)C(=O)C[N@H+]1CC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001498992194 920680636 /nfs/dbraw/zinc/68/06/36/920680636.db2.gz WEXLALBNYMPAPO-ZDUSSCGKSA-N 2 2 296.415 -0.251 20 0 CBADLP CN(C)C(=O)C[NH+]1CC[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001498992194 920680648 /nfs/dbraw/zinc/68/06/48/920680648.db2.gz WEXLALBNYMPAPO-ZDUSSCGKSA-N 2 2 296.415 -0.251 20 0 CBADLP CN(C)C(=O)C[NH+]1CC[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001498992194 920680665 /nfs/dbraw/zinc/68/06/65/920680665.db2.gz WEXLALBNYMPAPO-ZDUSSCGKSA-N 2 2 296.415 -0.251 20 0 CBADLP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+]1CC(=O)N1CCCC1 ZINC001499050957 920689080 /nfs/dbraw/zinc/68/90/80/920689080.db2.gz QJNVCFJZDRFZRW-ZDUSSCGKSA-N 2 2 296.415 -0.249 20 0 CBADLP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+]1CC(=O)N1CCCC1 ZINC001499050957 920689092 /nfs/dbraw/zinc/68/90/92/920689092.db2.gz QJNVCFJZDRFZRW-ZDUSSCGKSA-N 2 2 296.415 -0.249 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+]1CC[C@@](C)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001500296744 920826856 /nfs/dbraw/zinc/82/68/56/920826856.db2.gz WSCUXBLUPVASHE-BXUZGUMPSA-N 2 2 293.371 -0.402 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+]1CC[C@@](C)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001500296744 920826868 /nfs/dbraw/zinc/82/68/68/920826868.db2.gz WSCUXBLUPVASHE-BXUZGUMPSA-N 2 2 293.371 -0.402 20 0 CBADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001500834830 920902050 /nfs/dbraw/zinc/90/20/50/920902050.db2.gz XJAZHRZVSYIXQI-CYBMUJFWSA-N 2 2 299.415 -0.596 20 0 CBADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001500834830 920902067 /nfs/dbraw/zinc/90/20/67/920902067.db2.gz XJAZHRZVSYIXQI-CYBMUJFWSA-N 2 2 299.415 -0.596 20 0 CBADLP CC(C)[NH+]1CC(O)(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001500946163 920926229 /nfs/dbraw/zinc/92/62/29/920926229.db2.gz DZSSRHMORGRXDY-UHFFFAOYSA-N 2 2 285.388 -0.720 20 0 CBADLP C[NH+](C)CCC(=O)N[C@@]1(CO)CCC[N@H+](CCF)C1 ZINC001501345103 920974972 /nfs/dbraw/zinc/97/49/72/920974972.db2.gz BIOMMPJKKXJGHQ-ZDUSSCGKSA-N 2 2 275.368 -0.149 20 0 CBADLP C[NH+](C)CCC(=O)N[C@@]1(CO)CCC[N@@H+](CCF)C1 ZINC001501345103 920974989 /nfs/dbraw/zinc/97/49/89/920974989.db2.gz BIOMMPJKKXJGHQ-ZDUSSCGKSA-N 2 2 275.368 -0.149 20 0 CBADLP CN(C[C@@H](O)C[NH2+]CCF)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001507486754 921849792 /nfs/dbraw/zinc/84/97/92/921849792.db2.gz ZZQSNSGIIMTRHO-HBNTYKKESA-N 2 2 284.335 -0.108 20 0 CBADLP CC[NH2+]C[C@@H](O)CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001507549198 921864647 /nfs/dbraw/zinc/86/46/47/921864647.db2.gz WNENQQFYVTVTQI-SNVBAGLBSA-N 2 2 254.334 -0.311 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]C1CC(N(C)C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001508143899 921918021 /nfs/dbraw/zinc/91/80/21/921918021.db2.gz XXLAERKYPOHCRD-WHXUTIOJSA-N 2 2 293.371 -0.334 20 0 CBADLP COC[C@@H]1C[NH2+]CCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001514597919 922209775 /nfs/dbraw/zinc/20/97/75/922209775.db2.gz VFMYDALUAMNWEC-JTQLQIEISA-N 2 2 252.318 -0.293 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)[C@@H]2CCC[NH2+]CC2)CC1 ZINC001522641082 922496211 /nfs/dbraw/zinc/49/62/11/922496211.db2.gz WWLGLOLDBUEYRB-GFCCVEGCSA-N 3 2 268.405 -0.085 20 0 CBADLP C[C@@H]1CCC[N@@H+]1CC(=O)NCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001522800156 922521463 /nfs/dbraw/zinc/52/14/63/922521463.db2.gz SVUQLMQGLVMEQT-LLVKDONJSA-N 2 2 293.371 -0.331 20 0 CBADLP C[C@@H]1CCC[N@H+]1CC(=O)NCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001522800156 922521480 /nfs/dbraw/zinc/52/14/80/922521480.db2.gz SVUQLMQGLVMEQT-LLVKDONJSA-N 2 2 293.371 -0.331 20 0 CBADLP C[N@@H+]1CC[C@@H](C(=O)NCCCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001522918955 922548257 /nfs/dbraw/zinc/54/82/57/922548257.db2.gz DMAQNCAXBKJLAR-LLVKDONJSA-N 2 2 293.371 -0.474 20 0 CBADLP C[N@H+]1CC[C@@H](C(=O)NCCCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001522918955 922548262 /nfs/dbraw/zinc/54/82/62/922548262.db2.gz DMAQNCAXBKJLAR-LLVKDONJSA-N 2 2 293.371 -0.474 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@](O)(C[NH+](C)C)C1 ZINC001528688086 922850296 /nfs/dbraw/zinc/85/02/96/922850296.db2.gz OQTADGUVPYDRBK-CYBMUJFWSA-N 2 2 266.345 -0.512 20 0 CBADLP C[NH+](C)CCC(=O)N1CC[C@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001534996796 923171790 /nfs/dbraw/zinc/17/17/90/923171790.db2.gz XOJSLBDVIKTIEE-NSHDSACASA-N 2 2 293.371 -0.379 20 0 CBADLP CC[N@@H+]1CC[C@@H]1C(=O)N[C@H](C)[C@H]1C[NH+](C)CCN1C ZINC001544138699 923300160 /nfs/dbraw/zinc/30/01/60/923300160.db2.gz DPMNEDVLSXWLGU-JHJVBQTASA-N 2 2 268.405 -0.169 20 0 CBADLP CC[N@H+]1CC[C@@H]1C(=O)N[C@H](C)[C@H]1C[NH+](C)CCN1C ZINC001544138699 923300172 /nfs/dbraw/zinc/30/01/72/923300172.db2.gz DPMNEDVLSXWLGU-JHJVBQTASA-N 2 2 268.405 -0.169 20 0 CBADLP CC[NH+]1CC[C@@H]1C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCN1C ZINC001544138699 923300178 /nfs/dbraw/zinc/30/01/78/923300178.db2.gz DPMNEDVLSXWLGU-JHJVBQTASA-N 2 2 268.405 -0.169 20 0 CBADLP CC[NH+]1CC[C@@H]1C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC001544138699 923300190 /nfs/dbraw/zinc/30/01/90/923300190.db2.gz DPMNEDVLSXWLGU-JHJVBQTASA-N 2 2 268.405 -0.169 20 0 CBADLP COCC[N@@H+]1CCN(C(=O)c2cnc(C[NH3+])nc2)C[C@@H]1C ZINC001548444199 923355275 /nfs/dbraw/zinc/35/52/75/923355275.db2.gz LWHMQHUSHSFQAA-NSHDSACASA-N 2 2 293.371 -0.272 20 0 CBADLP COCC[N@H+]1CCN(C(=O)c2cnc(C[NH3+])nc2)C[C@@H]1C ZINC001548444199 923355288 /nfs/dbraw/zinc/35/52/88/923355288.db2.gz LWHMQHUSHSFQAA-NSHDSACASA-N 2 2 293.371 -0.272 20 0 CBADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C[C@@H](O)C[NH3+])CC1 ZINC001548555608 923378143 /nfs/dbraw/zinc/37/81/43/923378143.db2.gz TYWDFFZCRBJFFB-TZMCWYRMSA-N 2 2 292.383 -0.004 20 0 CBADLP CN1CC[NH2+]C[C@@H]1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC001548560385 923384026 /nfs/dbraw/zinc/38/40/26/923384026.db2.gz WYOAAFCCUBQWAP-CHWSQXEVSA-N 2 2 289.383 -0.320 20 0 CBADLP C[NH+](C)C[C@]1(O)CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001548751180 923494818 /nfs/dbraw/zinc/49/48/18/923494818.db2.gz VHDNRWDCKJLWAM-SWLSCSKDSA-N 2 2 292.383 -0.030 20 0 CBADLP Cn1cc(O[C@H]2C[N@H+](CCn3cc[nH+]c3)C[C@@H]2O)cn1 ZINC001549597296 923608840 /nfs/dbraw/zinc/60/88/40/923608840.db2.gz MQGLXSNSALSHGT-STQMWFEESA-N 2 2 277.328 -0.259 20 0 CBADLP Cn1cc(O[C@H]2C[N@@H+](CCn3cc[nH+]c3)C[C@@H]2O)cn1 ZINC001549597296 923608870 /nfs/dbraw/zinc/60/88/70/923608870.db2.gz MQGLXSNSALSHGT-STQMWFEESA-N 2 2 277.328 -0.259 20 0 CBADLP CO[C@@H]1C[C@@H](C(=O)NC2CC([NH+]3CCOCC3)C2)[N@H+](C)C1 ZINC001549624178 923617773 /nfs/dbraw/zinc/61/77/73/923617773.db2.gz PDPDXQXCCHXDID-PQAZSJQKSA-N 2 2 297.399 -0.315 20 0 CBADLP CO[C@@H]1C[C@@H](C(=O)NC2CC([NH+]3CCOCC3)C2)[N@@H+](C)C1 ZINC001549624178 923617779 /nfs/dbraw/zinc/61/77/79/923617779.db2.gz PDPDXQXCCHXDID-PQAZSJQKSA-N 2 2 297.399 -0.315 20 0 CBADLP O=C(C[C@@H]1C[NH2+]CCO1)Nc1cn[nH]c1[C@@H]1CC[NH2+]C1 ZINC001549747153 923637818 /nfs/dbraw/zinc/63/78/18/923637818.db2.gz RLOKYBTVCLVTCJ-NXEZZACHSA-N 2 2 279.344 -0.196 20 0 CBADLP C[C@@H](C(=O)N1CC[NH2+]CCC12CCC2)N1CC[NH2+]CC1=O ZINC001550204696 923709523 /nfs/dbraw/zinc/70/95/23/923709523.db2.gz WEQGBYGFRMZVCO-LBPRGKRZSA-N 2 2 294.399 -0.449 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)N1CC[NH2+]CCC12CCC2 ZINC001550210022 923710687 /nfs/dbraw/zinc/71/06/87/923710687.db2.gz QNJIOYARSIWXSH-UHFFFAOYSA-N 2 2 280.372 -0.837 20 0 CBADLP CC[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@]12COCCN1C(=O)COC2 ZINC001550474936 923731099 /nfs/dbraw/zinc/73/10/99/923731099.db2.gz WFEUCWJDPDPDDR-KCQAQPDRSA-N 2 2 297.399 -0.266 20 0 CBADLP O=C1CC[C@H]([NH2+]C[C@@H]2C[C@@H](F)C[NH2+]2)[C@@H](C2CC[NH2+]CC2)N1 ZINC001550914527 923754098 /nfs/dbraw/zinc/75/40/98/923754098.db2.gz VLDADWNKLPDPQL-UKTARXLSSA-N 3 2 298.406 -0.077 20 0 CBADLP [NH3+][C@@H]1CC12CC(NC(=O)N1CC[C@@H]([NH+]3CCOCC3)C1)C2 ZINC001551572980 923804048 /nfs/dbraw/zinc/80/40/48/923804048.db2.gz DSXHKTBRUWPKNH-DNCHLWJUSA-N 2 2 294.399 -0.018 20 0 CBADLP [NH3+][C@@H]1CC12CC(NC(=O)N1CC[C@H]([NH+]3CCOCC3)C1)C2 ZINC001551573002 923806012 /nfs/dbraw/zinc/80/60/12/923806012.db2.gz DSXHKTBRUWPKNH-SBEAFCBVSA-N 2 2 294.399 -0.018 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NC1CC2(C[C@H]2[NH3+])C1 ZINC001551599710 923807206 /nfs/dbraw/zinc/80/72/06/923807206.db2.gz OKBCWFFIACLZCY-WDBLDGLGSA-N 2 2 282.388 -0.114 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NC1CC2(C[C@@H]2[NH3+])C1 ZINC001551599707 923807906 /nfs/dbraw/zinc/80/79/06/923807906.db2.gz OKBCWFFIACLZCY-ATWGWHJKSA-N 2 2 282.388 -0.114 20 0 CBADLP O=C([C@H]1C[C@@H]1C1CC[NH2+]CC1)N1CC[NH+](CCO)CC1 ZINC001552157008 923837998 /nfs/dbraw/zinc/83/79/98/923837998.db2.gz XMLPRFALJGABKX-KGLIPLIRSA-N 2 2 281.400 -0.241 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552199317 923854756 /nfs/dbraw/zinc/85/47/56/923854756.db2.gz AMZHHRCZLBBYKJ-NTZNESFSSA-N 2 2 264.329 -0.376 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552200764 923860303 /nfs/dbraw/zinc/86/03/03/923860303.db2.gz WOAWWIYEYWKIKK-MBNYWOFBSA-N 2 2 283.372 -0.941 20 0 CBADLP O=C(N[C@@H]1C[NH2+]CC(F)(F)C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC001552204627 923865340 /nfs/dbraw/zinc/86/53/40/923865340.db2.gz STNDGLMUIAJNMD-QXEWZRGKSA-N 2 2 275.299 -0.664 20 0 CBADLP O=C(N1CC[C@H]([NH+]2CCOCC2)C1)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552218805 923871705 /nfs/dbraw/zinc/87/17/05/923871705.db2.gz XDLDGPWJMSKTPQ-VNHYZAJKSA-N 2 2 295.383 -0.845 20 0 CBADLP C[NH+]1CCC[C@H]1c1cc(C(=O)N[C@H]2C[N@H+](C)C[C@@H]2O)[nH]n1 ZINC001552362488 923890351 /nfs/dbraw/zinc/89/03/51/923890351.db2.gz QZARDBNPSVIEFV-AVGNSLFASA-N 2 2 293.371 -0.419 20 0 CBADLP C[NH+]1CCC[C@H]1c1cc(C(=O)N[C@H]2C[N@@H+](C)C[C@@H]2O)[nH]n1 ZINC001552362488 923890363 /nfs/dbraw/zinc/89/03/63/923890363.db2.gz QZARDBNPSVIEFV-AVGNSLFASA-N 2 2 293.371 -0.419 20 0 CBADLP C[NH+]1C[C@H](O)[C@@H](NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001552362488 923890370 /nfs/dbraw/zinc/89/03/70/923890370.db2.gz QZARDBNPSVIEFV-AVGNSLFASA-N 2 2 293.371 -0.419 20 0 CBADLP C[NH+]1C[C@H](O)[C@@H](NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001552362488 923890377 /nfs/dbraw/zinc/89/03/77/923890377.db2.gz QZARDBNPSVIEFV-AVGNSLFASA-N 2 2 293.371 -0.419 20 0 CBADLP CCO[C@@H]1C[N@H+](Cc2cnn3c2C[NH2+]CC3)C[C@@H]1C[NH3+] ZINC001552687422 923916266 /nfs/dbraw/zinc/91/62/66/923916266.db2.gz NOFLMTSGKWKPMH-SMDDNHRTSA-N 3 2 279.388 -0.218 20 0 CBADLP CCO[C@@H]1C[N@@H+](Cc2cnn3c2C[NH2+]CC3)C[C@@H]1C[NH3+] ZINC001552687422 923916277 /nfs/dbraw/zinc/91/62/77/923916277.db2.gz NOFLMTSGKWKPMH-SMDDNHRTSA-N 3 2 279.388 -0.218 20 0 CBADLP CCO[C@@H]1C[N@H+](Cc2cnn3c2C[NH2+]CC3)C[C@H]1C[NH3+] ZINC001552687084 923917848 /nfs/dbraw/zinc/91/78/48/923917848.db2.gz NOFLMTSGKWKPMH-BXUZGUMPSA-N 3 2 279.388 -0.218 20 0 CBADLP CCO[C@@H]1C[N@@H+](Cc2cnn3c2C[NH2+]CC3)C[C@H]1C[NH3+] ZINC001552687084 923917859 /nfs/dbraw/zinc/91/78/59/923917859.db2.gz NOFLMTSGKWKPMH-BXUZGUMPSA-N 3 2 279.388 -0.218 20 0 CBADLP C[C@H](CNC(=O)[C@H]1CC[C@@H](C[NH+]2CCOCC2)O1)[NH+](C)C ZINC001553084208 923943685 /nfs/dbraw/zinc/94/36/85/923943685.db2.gz XPPNZVAVBQQPEN-HZSPNIEDSA-N 2 2 299.415 -0.068 20 0 CBADLP [NH3+][C@@H]1C[C@H]2C[N@H+](C[C@H]3CCCC[NH2+]C3)CCN2C1=O ZINC001553304956 923946255 /nfs/dbraw/zinc/94/62/55/923946255.db2.gz QHHBLJPCFDTVBN-RWMBFGLXSA-N 3 2 266.389 -0.380 20 0 CBADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](C[C@H]3CCCC[NH2+]C3)CCN2C1=O ZINC001553304956 923946268 /nfs/dbraw/zinc/94/62/68/923946268.db2.gz QHHBLJPCFDTVBN-RWMBFGLXSA-N 3 2 266.389 -0.380 20 0 CBADLP [NH3+]C1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001553342388 923949546 /nfs/dbraw/zinc/94/95/46/923949546.db2.gz CCKZOZRCQFMSSB-KGLIPLIRSA-N 2 2 297.399 -0.184 20 0 CBADLP O=C(N[C@@H]1CCC[NH2+]C1)[C@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001553350841 923954112 /nfs/dbraw/zinc/95/41/12/923954112.db2.gz JRGRICOKNQQUEZ-MGPQQGTHSA-N 2 2 297.399 -0.266 20 0 CBADLP C[C@@H]1C[NH2+]CCN1C(=O)[C@H]1CC[C@@H](C[NH+]2CCOCC2)O1 ZINC001553360348 923964972 /nfs/dbraw/zinc/96/49/72/923964972.db2.gz VZTMAXVYUIJCGO-HZSPNIEDSA-N 2 2 297.399 -0.314 20 0 CBADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)[C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1 ZINC001553404121 923976648 /nfs/dbraw/zinc/97/66/48/923976648.db2.gz AMOLRVRXEIHJKJ-VLEAKVRGSA-N 2 2 289.326 -0.133 20 0 CBADLP COCC[N@@H+]1CCN(C(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)C[C@H]1C ZINC001553406797 923981658 /nfs/dbraw/zinc/98/16/58/923981658.db2.gz FYVFKPJZYWROSX-MQYQWHSLSA-N 2 2 297.399 -0.315 20 0 CBADLP COCC[N@H+]1CCN(C(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)C[C@H]1C ZINC001553406797 923981670 /nfs/dbraw/zinc/98/16/70/923981670.db2.gz FYVFKPJZYWROSX-MQYQWHSLSA-N 2 2 297.399 -0.315 20 0 CBADLP Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1C[C@H]2OCC[C@@H]2[NH2+]1 ZINC001553414020 923986949 /nfs/dbraw/zinc/98/69/49/923986949.db2.gz WSOJRKMHTJAPGO-ATZCPNFKSA-N 2 2 250.302 -0.146 20 0 CBADLP O=C(NCCc1[nH]cc[nH+]1)[C@@H]1C[C@H]2OCC[C@H]2[NH2+]1 ZINC001553411121 923987107 /nfs/dbraw/zinc/98/71/07/923987107.db2.gz LXKODDBMCMNHCM-KXUCPTDWSA-N 2 2 250.302 -0.412 20 0 CBADLP O=C(NCCc1[nH]cc[nH+]1)[C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1 ZINC001553411106 923987151 /nfs/dbraw/zinc/98/71/51/923987151.db2.gz LXKODDBMCMNHCM-GUBZILKMSA-N 2 2 250.302 -0.412 20 0 CBADLP Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1 ZINC001553414021 923987187 /nfs/dbraw/zinc/98/71/87/923987187.db2.gz WSOJRKMHTJAPGO-QXEWZRGKSA-N 2 2 250.302 -0.146 20 0 CBADLP O=C(NCCc1[nH]cc[nH+]1)[C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1 ZINC001553411139 923987563 /nfs/dbraw/zinc/98/75/63/923987563.db2.gz LXKODDBMCMNHCM-UTLUCORTSA-N 2 2 250.302 -0.412 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)[C@@H]2C[C@H]3OCC[C@H]3[NH2+]2)CC1 ZINC001553429957 923995350 /nfs/dbraw/zinc/99/53/50/923995350.db2.gz LLXINFLUQCOTPR-FRRDWIJNSA-N 3 2 282.388 -0.955 20 0 CBADLP C[C@H](Cc1[nH+]ccn1C)NC(=O)[C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1 ZINC001553427977 923996110 /nfs/dbraw/zinc/99/61/10/923996110.db2.gz KMWCBKKGFAYAAG-RHYQMDGZSA-N 2 2 278.356 -0.013 20 0 CBADLP Cn1c[nH+]cc1CNC(=O)N[C@@H]1C[NH2+]CC12CCOCC2 ZINC001553522204 924021896 /nfs/dbraw/zinc/02/18/96/924021896.db2.gz SBWLEMTUNPIOEG-GFCCVEGCSA-N 2 2 293.371 -0.012 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)N[C@]23CCC[C@@H]2[NH2+]CC3)CC1 ZINC001553526210 924021973 /nfs/dbraw/zinc/02/19/73/924021973.db2.gz IFYZLFZUWWKJIJ-ZFWWWQNUSA-N 3 2 295.431 -0.007 20 0 CBADLP Cn1c[nH+]cc1CNC(=O)N[C@H]1C[NH2+]CC12CCOCC2 ZINC001553522207 924023366 /nfs/dbraw/zinc/02/33/66/924023366.db2.gz SBWLEMTUNPIOEG-LBPRGKRZSA-N 2 2 293.371 -0.012 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)N[C@@]23CCC[C@H]2C[NH2+]C3)CC1 ZINC001553530020 924025412 /nfs/dbraw/zinc/02/54/12/924025412.db2.gz QBKYAYDXXYCBAQ-SWLSCSKDSA-N 3 2 295.431 -0.149 20 0 CBADLP COCCCNC(=O)C[N@H+](C)CCn1cc[nH+]c1 ZINC000121363949 230170284 /nfs/dbraw/zinc/17/02/84/230170284.db2.gz ISQIDLQXDKHHPK-UHFFFAOYSA-N 2 2 254.334 -0.032 20 0 CBADLP COCCCNC(=O)C[N@@H+](C)CCn1cc[nH+]c1 ZINC000121363949 230170288 /nfs/dbraw/zinc/17/02/88/230170288.db2.gz ISQIDLQXDKHHPK-UHFFFAOYSA-N 2 2 254.334 -0.032 20 0 CBADLP C[N@H+](C[C@H](O)CNCC[NH+]1CCCOCC1)C1CC1 ZINC000576393177 335197543 /nfs/dbraw/zinc/19/75/43/335197543.db2.gz WCMJCJDIAOOZGP-CQSZACIVSA-N 2 2 271.405 -0.247 20 0 CBADLP C[N@@H+](C[C@H](O)CNCC[NH+]1CCCOCC1)C1CC1 ZINC000576393177 335197544 /nfs/dbraw/zinc/19/75/44/335197544.db2.gz WCMJCJDIAOOZGP-CQSZACIVSA-N 2 2 271.405 -0.247 20 0 CBADLP C[NH+](C[C@H](O)CNCC[N@@H+]1CCCOCC1)C1CC1 ZINC000576393177 335197545 /nfs/dbraw/zinc/19/75/45/335197545.db2.gz WCMJCJDIAOOZGP-CQSZACIVSA-N 2 2 271.405 -0.247 20 0 CBADLP C[NH+](C[C@H](O)CNCC[N@H+]1CCCOCC1)C1CC1 ZINC000576393177 335197546 /nfs/dbraw/zinc/19/75/46/335197546.db2.gz WCMJCJDIAOOZGP-CQSZACIVSA-N 2 2 271.405 -0.247 20 0 CBADLP C[N@H+](C[C@H](O)C[NH2+]CCN1CCCOCC1)C1CC1 ZINC000576393177 335197547 /nfs/dbraw/zinc/19/75/47/335197547.db2.gz WCMJCJDIAOOZGP-CQSZACIVSA-N 2 2 271.405 -0.247 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH2+]CCN1CCCOCC1)C1CC1 ZINC000576393177 335197548 /nfs/dbraw/zinc/19/75/48/335197548.db2.gz WCMJCJDIAOOZGP-CQSZACIVSA-N 2 2 271.405 -0.247 20 0 CBADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC000124763461 187152613 /nfs/dbraw/zinc/15/26/13/187152613.db2.gz KBOAWECBSGSLPW-ZDUSSCGKSA-N 2 2 298.431 -0.003 20 0 CBADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC000124763461 187152614 /nfs/dbraw/zinc/15/26/14/187152614.db2.gz KBOAWECBSGSLPW-ZDUSSCGKSA-N 2 2 298.431 -0.003 20 0 CBADLP C[C@H](C(=O)NCC[NH+]1CCC1)N1CC[NH+](C)CC1 ZINC000337587726 214169798 /nfs/dbraw/zinc/16/97/98/214169798.db2.gz LRRZPZLMVJSHRR-GFCCVEGCSA-N 2 2 254.378 -0.556 20 0 CBADLP C[C@H](CNC(=O)NCC[NH+]1CCC1)CN1CC[NH+](C)CC1 ZINC000337657068 214200196 /nfs/dbraw/zinc/20/01/96/214200196.db2.gz NXIVVKCGQWVYSQ-CQSZACIVSA-N 2 2 297.447 -0.125 20 0 CBADLP C[C@@H](CNC(=O)NCC[NH+]1CCC1)C[NH+]1CCOCC1 ZINC000337670082 214208873 /nfs/dbraw/zinc/20/88/73/214208873.db2.gz XCIDNIJIQBJYEU-ZDUSSCGKSA-N 2 2 284.404 -0.040 20 0 CBADLP NC(=O)C1([NH+]2CCN(C(=O)[C@@H]3CCC[NH2+]3)CC2)CCCC1 ZINC000376790021 230263346 /nfs/dbraw/zinc/26/33/46/230263346.db2.gz RUBKUUDTEVDBLJ-LBPRGKRZSA-N 2 2 294.399 -0.319 20 0 CBADLP C[NH+](C)C[C@](C)(O)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000284506320 282141593 /nfs/dbraw/zinc/14/15/93/282141593.db2.gz VJAAXRBILXNIDG-ZYOFXKKJSA-N 2 2 252.318 -0.148 20 0 CBADLP [NH3+]CCCC(=O)N1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000378212945 230317011 /nfs/dbraw/zinc/31/70/11/230317011.db2.gz XMKMTQUCXQWWAY-LBPRGKRZSA-N 2 2 282.388 -0.462 20 0 CBADLP C[NH2+]CCC(=O)N1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000367506914 290641169 /nfs/dbraw/zinc/64/11/69/290641169.db2.gz HMUNRAGVVKMCTA-LBPRGKRZSA-N 2 2 282.388 -0.591 20 0 CBADLP CN1CC[N@H+](C)[C@@H](CNC(=O)/C=C/C[NH+](C)C)C1 ZINC000491844736 230330692 /nfs/dbraw/zinc/33/06/92/230330692.db2.gz IWWMLLAFZIUOAH-FYJFLYSWSA-N 2 2 254.378 -0.534 20 0 CBADLP CN1CC[N@@H+](C)[C@@H](CNC(=O)/C=C/C[NH+](C)C)C1 ZINC000491844736 230330698 /nfs/dbraw/zinc/33/06/98/230330698.db2.gz IWWMLLAFZIUOAH-FYJFLYSWSA-N 2 2 254.378 -0.534 20 0 CBADLP CN1CC[N@@H+](C)[C@@H](CNC(=O)/C=C\C[NH+](C)C)C1 ZINC000491844734 230331689 /nfs/dbraw/zinc/33/16/89/230331689.db2.gz IWWMLLAFZIUOAH-FJOGCWAESA-N 2 2 254.378 -0.534 20 0 CBADLP C[C@@H]1CC[NH2+][C@H](C(=O)NCC[NH+]2CCOCC2)C1 ZINC000126012698 187210330 /nfs/dbraw/zinc/21/03/30/187210330.db2.gz HZJGLPUATBHNMW-NEPJUHHUSA-N 2 2 255.362 -0.177 20 0 CBADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000495058656 290034883 /nfs/dbraw/zinc/03/48/83/290034883.db2.gz KFMOORDNIHPDJK-RYUDHWBXSA-N 2 2 268.405 -0.121 20 0 CBADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000495058656 290034885 /nfs/dbraw/zinc/03/48/85/290034885.db2.gz KFMOORDNIHPDJK-RYUDHWBXSA-N 2 2 268.405 -0.121 20 0 CBADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)c1c[nH+]ccc1N ZINC000127865962 187337218 /nfs/dbraw/zinc/33/72/18/187337218.db2.gz PHCKHWPEROLVCP-SNVBAGLBSA-N 2 2 263.345 -0.361 20 0 CBADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1c[nH+]ccc1N ZINC000127865962 187337219 /nfs/dbraw/zinc/33/72/19/187337219.db2.gz PHCKHWPEROLVCP-SNVBAGLBSA-N 2 2 263.345 -0.361 20 0 CBADLP C[NH+](C)CCNC(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000130676817 136388638 /nfs/dbraw/zinc/38/86/38/136388638.db2.gz QOJWYLZEIDSBRG-UHFFFAOYSA-N 2 2 291.399 -0.119 20 0 CBADLP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NCCCn1cc[nH+]c1 ZINC000351535233 219117977 /nfs/dbraw/zinc/11/79/77/219117977.db2.gz DRMYCIXAXDSQEJ-LLVKDONJSA-N 2 2 279.344 -0.742 20 0 CBADLP Cc1cc(NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)cc[nH+]1 ZINC000351559677 219127326 /nfs/dbraw/zinc/12/73/26/219127326.db2.gz VECCCZHUOBDYQB-NSHDSACASA-N 2 2 262.313 -0.381 20 0 CBADLP C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)[C@H]2CCC[NH+]2C)CCO1 ZINC000331255971 282338414 /nfs/dbraw/zinc/33/84/14/282338414.db2.gz YYWUIIZOEOMXTA-VXGBXAGGSA-N 2 2 298.387 -0.225 20 0 CBADLP C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)[C@H]2CCC[NH+]2C)CCO1 ZINC000331255971 282338415 /nfs/dbraw/zinc/33/84/15/282338415.db2.gz YYWUIIZOEOMXTA-VXGBXAGGSA-N 2 2 298.387 -0.225 20 0 CBADLP C[NH+](CC(N)=O)C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CCO1 ZINC000331255971 282338416 /nfs/dbraw/zinc/33/84/16/282338416.db2.gz YYWUIIZOEOMXTA-VXGBXAGGSA-N 2 2 298.387 -0.225 20 0 CBADLP C[NH+](CC(N)=O)C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CCO1 ZINC000331255971 282338417 /nfs/dbraw/zinc/33/84/17/282338417.db2.gz YYWUIIZOEOMXTA-VXGBXAGGSA-N 2 2 298.387 -0.225 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)CC1 ZINC000493709853 530068050 /nfs/dbraw/zinc/06/80/50/530068050.db2.gz JTQADOMMRKRTHE-NEPJUHHUSA-N 2 2 296.371 -0.809 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)CC1 ZINC000493709853 530068051 /nfs/dbraw/zinc/06/80/51/530068051.db2.gz JTQADOMMRKRTHE-NEPJUHHUSA-N 2 2 296.371 -0.809 20 0 CBADLP C[NH+](CC(O)C[N@@H+](C)[C@H]1CCOC1)[C@H]1CCOC1 ZINC000447351951 282379837 /nfs/dbraw/zinc/37/98/37/282379837.db2.gz VIGLERZMZWQBSE-RYUDHWBXSA-N 2 2 258.362 -0.211 20 0 CBADLP C[NH+](CC(O)C[N@H+](C)[C@H]1CCOC1)[C@H]1CCOC1 ZINC000447351951 282379838 /nfs/dbraw/zinc/37/98/38/282379838.db2.gz VIGLERZMZWQBSE-RYUDHWBXSA-N 2 2 258.362 -0.211 20 0 CBADLP CC(=O)N1CCN(C(=O)C[N@H+](C)CC[C@H]([NH3+])C(C)C)CC1 ZINC000128459424 187372331 /nfs/dbraw/zinc/37/23/31/187372331.db2.gz XZSRAPMLPGAVCK-AWEZNQCLSA-N 2 2 298.431 -0.018 20 0 CBADLP CC(=O)N1CCN(C(=O)C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)CC1 ZINC000128459203 187371980 /nfs/dbraw/zinc/37/19/80/187371980.db2.gz XZSRAPMLPGAVCK-CQSZACIVSA-N 2 2 298.431 -0.018 20 0 CBADLP CC(=O)N1CCN(C(=O)C[N@H+](C)CC[C@@H]([NH3+])C(C)C)CC1 ZINC000128459203 187371981 /nfs/dbraw/zinc/37/19/81/187371981.db2.gz XZSRAPMLPGAVCK-CQSZACIVSA-N 2 2 298.431 -0.018 20 0 CBADLP CC(=O)N1CCN(C(=O)C[N@@H+](C)CC[C@H]([NH3+])C(C)C)CC1 ZINC000128459424 187372329 /nfs/dbraw/zinc/37/23/29/187372329.db2.gz XZSRAPMLPGAVCK-AWEZNQCLSA-N 2 2 298.431 -0.018 20 0 CBADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)C1 ZINC000351862123 219230173 /nfs/dbraw/zinc/23/01/73/219230173.db2.gz NGXNGCREZDAQPM-GARJFASQSA-N 2 2 270.377 -0.752 20 0 CBADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)C1 ZINC000351862123 219230175 /nfs/dbraw/zinc/23/01/75/219230175.db2.gz NGXNGCREZDAQPM-GARJFASQSA-N 2 2 270.377 -0.752 20 0 CBADLP CCOC(=O)c1nn(C)cc1C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000351982010 219274922 /nfs/dbraw/zinc/27/49/22/219274922.db2.gz MZJUDAPDRZINHE-CQSZACIVSA-N 2 2 296.371 -0.247 20 0 CBADLP CCOC(=O)c1nn(C)cc1C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000351982010 219274924 /nfs/dbraw/zinc/27/49/24/219274924.db2.gz MZJUDAPDRZINHE-CQSZACIVSA-N 2 2 296.371 -0.247 20 0 CBADLP COCC[N@H+](C)CCCNC(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000339683948 215297308 /nfs/dbraw/zinc/29/73/08/215297308.db2.gz POMVUHHIDLNCSJ-CYBMUJFWSA-N 2 2 287.404 -0.208 20 0 CBADLP COCC[N@@H+](C)CCCNC(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000339683948 215297310 /nfs/dbraw/zinc/29/73/10/215297310.db2.gz POMVUHHIDLNCSJ-CYBMUJFWSA-N 2 2 287.404 -0.208 20 0 CBADLP CNC(=O)CC[NH+]1CCN(Cc2[nH+]ccn2C)CC1 ZINC000105930462 186093034 /nfs/dbraw/zinc/09/30/34/186093034.db2.gz HAQKFFGSRXZVST-UHFFFAOYSA-N 2 2 265.361 -0.326 20 0 CBADLP C[N@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)[C@H]1CCOC1 ZINC000106936820 186154417 /nfs/dbraw/zinc/15/44/17/186154417.db2.gz UPIOCHOSUWDPIZ-ZDUSSCGKSA-N 2 2 299.415 -0.066 20 0 CBADLP C[N@@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)[C@H]1CCOC1 ZINC000106936820 186154419 /nfs/dbraw/zinc/15/44/19/186154419.db2.gz UPIOCHOSUWDPIZ-ZDUSSCGKSA-N 2 2 299.415 -0.066 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000109752416 186270871 /nfs/dbraw/zinc/27/08/71/186270871.db2.gz ORISOSXVUUKMKI-STQMWFEESA-N 2 2 268.405 -0.038 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000109752416 186270872 /nfs/dbraw/zinc/27/08/72/186270872.db2.gz ORISOSXVUUKMKI-STQMWFEESA-N 2 2 268.405 -0.038 20 0 CBADLP [NH3+]CC(=O)NCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000037802043 351405525 /nfs/dbraw/zinc/40/55/25/351405525.db2.gz QZGMKBCHNSOWMX-UHFFFAOYSA-N 2 2 296.396 -0.533 20 0 CBADLP CC1(C)NC(=O)N(CC[NH+]2CCC([NH3+])CC2)C1=O ZINC000036754367 351392383 /nfs/dbraw/zinc/39/23/83/351392383.db2.gz XADRXFKBRSZOPI-UHFFFAOYSA-N 2 2 254.334 -0.260 20 0 CBADLP Cn1cc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)c(=O)n(C)c1=O ZINC000036996270 351395373 /nfs/dbraw/zinc/39/53/73/351395373.db2.gz YOKNKDBJJXTBLR-QWHCGFSZSA-N 2 2 292.383 -0.200 20 0 CBADLP Cn1cc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)c(=O)n(C)c1=O ZINC000036996270 351395378 /nfs/dbraw/zinc/39/53/78/351395378.db2.gz YOKNKDBJJXTBLR-QWHCGFSZSA-N 2 2 292.383 -0.200 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000037008654 351396360 /nfs/dbraw/zinc/39/63/60/351396360.db2.gz UGDQYVYECSFNOR-VXGBXAGGSA-N 2 2 255.362 -0.177 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CSC[NH2+]1 ZINC000037008747 351396514 /nfs/dbraw/zinc/39/65/14/351396514.db2.gz DZWWFSUKANEUTH-NXEZZACHSA-N 2 2 259.375 -0.514 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C[C@H]1CCC[NH2+]1 ZINC000042166537 351427990 /nfs/dbraw/zinc/42/79/90/351427990.db2.gz CZJPEGMLSJWXMV-VXGBXAGGSA-N 2 2 255.362 -0.035 20 0 CBADLP CC(C)(CNC(=O)C[NH2+]C1CC1)[NH+]1CCOCC1 ZINC000040420319 351415245 /nfs/dbraw/zinc/41/52/45/351415245.db2.gz FTFSFZKBYKURHH-UHFFFAOYSA-N 2 2 255.362 -0.035 20 0 CBADLP CCOC(=O)CC[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000050067154 351498782 /nfs/dbraw/zinc/49/87/82/351498782.db2.gz YKDCOLHCQSLBIJ-UHFFFAOYSA-N 2 2 271.361 -0.355 20 0 CBADLP CCOC(=O)CC[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000050067154 351498785 /nfs/dbraw/zinc/49/87/85/351498785.db2.gz YKDCOLHCQSLBIJ-UHFFFAOYSA-N 2 2 271.361 -0.355 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+]C2(CO)CCCC2)CC1 ZINC000053070001 351523502 /nfs/dbraw/zinc/52/35/02/351523502.db2.gz OIJYOXWAXDVWBC-UHFFFAOYSA-N 2 2 255.362 -0.345 20 0 CBADLP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N2CC[NH2+]CC2)CC1 ZINC000055084560 351541287 /nfs/dbraw/zinc/54/12/87/351541287.db2.gz VDCOPBAUPXWXCQ-GFCCVEGCSA-N 2 2 282.388 -0.639 20 0 CBADLP O[C@@H](CN1CCC[N@@H+](C2CC2)CC1)C[NH+]1CCOCC1 ZINC000061041194 351567290 /nfs/dbraw/zinc/56/72/90/351567290.db2.gz BFJDABMKIPKKLE-HNNXBMFYSA-N 2 2 283.416 -0.150 20 0 CBADLP O[C@@H](CN1CCC[N@H+](C2CC2)CC1)C[NH+]1CCOCC1 ZINC000061041194 351567291 /nfs/dbraw/zinc/56/72/91/351567291.db2.gz BFJDABMKIPKKLE-HNNXBMFYSA-N 2 2 283.416 -0.150 20 0 CBADLP CC[C@@]1(C(=O)NCC[NH+]2CCOCC2)CC[NH2+]C1 ZINC000062889411 351577087 /nfs/dbraw/zinc/57/70/87/351577087.db2.gz LVLPAFQLVRWWDL-CYBMUJFWSA-N 2 2 255.362 -0.176 20 0 CBADLP O=C(C[NH2+]CC1CC1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000062976784 351578116 /nfs/dbraw/zinc/57/81/16/351578116.db2.gz FAYVKMXCDRLPKD-CYBMUJFWSA-N 2 2 267.373 -0.081 20 0 CBADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](CC(N)=O)CC2)CC1 ZINC000066568326 351600662 /nfs/dbraw/zinc/60/06/62/351600662.db2.gz KOZQKVCHWGBIHS-UHFFFAOYSA-N 2 2 296.415 -0.262 20 0 CBADLP CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000070174245 351636073 /nfs/dbraw/zinc/63/60/73/351636073.db2.gz IHJXPMVQDQHCLY-ZJUUUORDSA-N 2 2 256.350 -0.109 20 0 CBADLP CCNC(=O)NC(=O)C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000070174245 351636075 /nfs/dbraw/zinc/63/60/75/351636075.db2.gz IHJXPMVQDQHCLY-ZJUUUORDSA-N 2 2 256.350 -0.109 20 0 CBADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CCCO2)C1 ZINC000071146885 351643302 /nfs/dbraw/zinc/64/33/02/351643302.db2.gz MDYIOQNCDGWLIS-NEPJUHHUSA-N 2 2 255.362 -0.177 20 0 CBADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2CCCO2)C1 ZINC000071146885 351643304 /nfs/dbraw/zinc/64/33/04/351643304.db2.gz MDYIOQNCDGWLIS-NEPJUHHUSA-N 2 2 255.362 -0.177 20 0 CBADLP CC[N@H+](C)C[C@H]1CC[NH+](CCNS(C)(=O)=O)C1 ZINC000072858928 351651560 /nfs/dbraw/zinc/65/15/60/351651560.db2.gz QRMLKIWAMKCNHO-LLVKDONJSA-N 2 2 263.407 -0.191 20 0 CBADLP CC[N@@H+](C)C[C@H]1CC[NH+](CCNS(C)(=O)=O)C1 ZINC000072858928 351651564 /nfs/dbraw/zinc/65/15/64/351651564.db2.gz QRMLKIWAMKCNHO-LLVKDONJSA-N 2 2 263.407 -0.191 20 0 CBADLP CC[NH+](C)C[C@H]1CC[N@H+](CCNS(C)(=O)=O)C1 ZINC000072858928 351651566 /nfs/dbraw/zinc/65/15/66/351651566.db2.gz QRMLKIWAMKCNHO-LLVKDONJSA-N 2 2 263.407 -0.191 20 0 CBADLP CC[NH+](C)C[C@H]1CC[N@@H+](CCNS(C)(=O)=O)C1 ZINC000072858928 351651568 /nfs/dbraw/zinc/65/15/68/351651568.db2.gz QRMLKIWAMKCNHO-LLVKDONJSA-N 2 2 263.407 -0.191 20 0 CBADLP O=S1(=O)CCC[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000069144324 351626012 /nfs/dbraw/zinc/62/60/12/351626012.db2.gz QUEOEYZFUYHFFU-NWDGAFQWSA-N 2 2 276.402 -0.390 20 0 CBADLP OCC[NH+]1CCN(c2cc(-n3cc[nH+]c3)ncn2)CC1 ZINC000077210521 351680031 /nfs/dbraw/zinc/68/00/31/351680031.db2.gz DZYFGTHWKMHERZ-UHFFFAOYSA-N 2 2 274.328 -0.223 20 0 CBADLP CC[NH+]1CCN(CCCNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000080989512 351701349 /nfs/dbraw/zinc/70/13/49/351701349.db2.gz NVTPUXKAJXGRJZ-AWEZNQCLSA-N 2 2 298.431 -0.539 20 0 CBADLP CC[NH+]1CCN(CCCNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000080989512 351701351 /nfs/dbraw/zinc/70/13/51/351701351.db2.gz NVTPUXKAJXGRJZ-AWEZNQCLSA-N 2 2 298.431 -0.539 20 0 CBADLP CCN1CC[NH+](CCCNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000080989512 351701352 /nfs/dbraw/zinc/70/13/52/351701352.db2.gz NVTPUXKAJXGRJZ-AWEZNQCLSA-N 2 2 298.431 -0.539 20 0 CBADLP CCN1CC[NH+](CCCNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000080989512 351701354 /nfs/dbraw/zinc/70/13/54/351701354.db2.gz NVTPUXKAJXGRJZ-AWEZNQCLSA-N 2 2 298.431 -0.539 20 0 CBADLP C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C[NH+]1CCN(C)CC1 ZINC000081396526 351705768 /nfs/dbraw/zinc/70/57/68/351705768.db2.gz CBCURDXRNCBGMT-ZIAGYGMSSA-N 2 2 298.431 -0.683 20 0 CBADLP C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C[NH+]1CCN(C)CC1 ZINC000081396526 351705771 /nfs/dbraw/zinc/70/57/71/351705771.db2.gz CBCURDXRNCBGMT-ZIAGYGMSSA-N 2 2 298.431 -0.683 20 0 CBADLP C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)CN1CC[NH+](C)CC1 ZINC000081396526 351705774 /nfs/dbraw/zinc/70/57/74/351705774.db2.gz CBCURDXRNCBGMT-ZIAGYGMSSA-N 2 2 298.431 -0.683 20 0 CBADLP C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)CN1CC[NH+](C)CC1 ZINC000081396526 351705779 /nfs/dbraw/zinc/70/57/79/351705779.db2.gz CBCURDXRNCBGMT-ZIAGYGMSSA-N 2 2 298.431 -0.683 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+]([C@@H]3CCSC3)CC2)C1 ZINC000087495444 351721790 /nfs/dbraw/zinc/72/17/90/351721790.db2.gz NQDOZIHSYXFZNE-CHWSQXEVSA-N 2 2 299.440 -0.033 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N2CC[NH+]([C@@H]3CCSC3)CC2)C1 ZINC000087495444 351721792 /nfs/dbraw/zinc/72/17/92/351721792.db2.gz NQDOZIHSYXFZNE-CHWSQXEVSA-N 2 2 299.440 -0.033 20 0 CBADLP O=C([C@@H]1COCC[NH2+]1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000088370786 351724271 /nfs/dbraw/zinc/72/42/71/351724271.db2.gz WWSSIUXZLSXKLN-NEPJUHHUSA-N 2 2 253.346 -0.329 20 0 CBADLP O=C([C@@H]1COCC[NH2+]1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000088370786 351724274 /nfs/dbraw/zinc/72/42/74/351724274.db2.gz WWSSIUXZLSXKLN-NEPJUHHUSA-N 2 2 253.346 -0.329 20 0 CBADLP CC1CC[NH+](CCNC(=O)[C@H]2COCC[NH2+]2)CC1 ZINC000088371579 351725109 /nfs/dbraw/zinc/72/51/09/351725109.db2.gz ZRXZTVPZPHUHLW-GFCCVEGCSA-N 2 2 255.362 -0.177 20 0 CBADLP CC(=O)N[C@@H]1CCCN(C(=O)C[NH+]2CCC([NH3+])CC2)C1 ZINC000092714158 351752023 /nfs/dbraw/zinc/75/20/23/351752023.db2.gz VOLMASBILJBGGX-CYBMUJFWSA-N 2 2 282.388 -0.463 20 0 CBADLP Nc1cc[nH+]cc1C(=O)NCC[NH+]1CCOCC1 ZINC000082303314 351712549 /nfs/dbraw/zinc/71/25/49/351712549.db2.gz HSIWYOUVCOYXCP-UHFFFAOYSA-N 2 2 250.302 -0.274 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000107575856 351794988 /nfs/dbraw/zinc/79/49/88/351794988.db2.gz BJXANSNKOWQNBK-RYUDHWBXSA-N 2 2 282.388 -0.878 20 0 CBADLP C[C@@H]1CN(C(=O)C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C[C@@H](C)O1 ZINC000107576144 351795071 /nfs/dbraw/zinc/79/50/71/351795071.db2.gz PXRUZGBODGRMIC-LPWJVIDDSA-N 2 2 267.373 -0.227 20 0 CBADLP C[C@@H]1CN(C(=O)C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C[C@@H](C)O1 ZINC000107576144 351795073 /nfs/dbraw/zinc/79/50/73/351795073.db2.gz PXRUZGBODGRMIC-LPWJVIDDSA-N 2 2 267.373 -0.227 20 0 CBADLP CC(C)(C)NC(=O)NC(=O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000107577331 351795231 /nfs/dbraw/zinc/79/52/31/351795231.db2.gz MPYAKIXWISSYQS-UWVGGRQHSA-N 2 2 268.361 -0.238 20 0 CBADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107855382 351795964 /nfs/dbraw/zinc/79/59/64/351795964.db2.gz NMWKCUYYOXDVJA-LPEHRKFASA-N 2 2 254.334 -0.628 20 0 CBADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107855382 351795967 /nfs/dbraw/zinc/79/59/67/351795967.db2.gz NMWKCUYYOXDVJA-LPEHRKFASA-N 2 2 254.334 -0.628 20 0 CBADLP CC(C)CNC(=O)NC(=O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000107577407 351796262 /nfs/dbraw/zinc/79/62/62/351796262.db2.gz YVVCZVYYKMYMET-QWRGUYRKSA-N 2 2 268.361 -0.381 20 0 CBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CNC(=O)C1 ZINC000110433174 351799172 /nfs/dbraw/zinc/79/91/72/351799172.db2.gz XKTRPDANBRHVJD-GFCCVEGCSA-N 2 2 296.415 -0.393 20 0 CBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CNC(=O)C1 ZINC000110433174 351799177 /nfs/dbraw/zinc/79/91/77/351799177.db2.gz XKTRPDANBRHVJD-GFCCVEGCSA-N 2 2 296.415 -0.393 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](CC(N)=O)C2)CC1 ZINC000093178188 351757576 /nfs/dbraw/zinc/75/75/76/351757576.db2.gz ZJHHQKGYIACBDL-LBPRGKRZSA-N 2 2 282.388 -0.652 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](CC(N)=O)C2)CC1 ZINC000093178188 351757581 /nfs/dbraw/zinc/75/75/81/351757581.db2.gz ZJHHQKGYIACBDL-LBPRGKRZSA-N 2 2 282.388 -0.652 20 0 CBADLP CC(C)[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H](C)O ZINC000093172821 351757947 /nfs/dbraw/zinc/75/79/47/351757947.db2.gz CYDDKKKJMCEXBE-GFCCVEGCSA-N 2 2 257.378 -0.148 20 0 CBADLP CC(C)[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H](C)O ZINC000093172821 351757950 /nfs/dbraw/zinc/75/79/50/351757950.db2.gz CYDDKKKJMCEXBE-GFCCVEGCSA-N 2 2 257.378 -0.148 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+][C@H](C(N)=O)C(C)(C)C)CC1 ZINC000093194237 351758035 /nfs/dbraw/zinc/75/80/35/351758035.db2.gz FJUJVEJWCWVTMZ-LLVKDONJSA-N 2 2 270.377 -0.750 20 0 CBADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)CC1(O)CCCC1 ZINC000093204843 351758177 /nfs/dbraw/zinc/75/81/77/351758177.db2.gz IDFQLEUKJXARHQ-UHFFFAOYSA-N 2 2 269.389 -0.003 20 0 CBADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)CC1(O)CCCC1 ZINC000093204843 351758178 /nfs/dbraw/zinc/75/81/78/351758178.db2.gz IDFQLEUKJXARHQ-UHFFFAOYSA-N 2 2 269.389 -0.003 20 0 CBADLP COCCOC1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000093174601 351758609 /nfs/dbraw/zinc/75/86/09/351758609.db2.gz LQVXSAPVQHCGIH-UHFFFAOYSA-N 2 2 299.415 -0.112 20 0 CBADLP C[C@@H]1OCC[N@H+](CC(=O)N2CC[NH+](C)CC2)[C@H]1C ZINC000093190774 351758852 /nfs/dbraw/zinc/75/88/52/351758852.db2.gz PYGDTDCYAXUSDA-RYUDHWBXSA-N 2 2 255.362 -0.130 20 0 CBADLP C[C@@H]1OCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)[C@H]1C ZINC000093190774 351758854 /nfs/dbraw/zinc/75/88/54/351758854.db2.gz PYGDTDCYAXUSDA-RYUDHWBXSA-N 2 2 255.362 -0.130 20 0 CBADLP CCCNC(=O)NC(=O)C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000094341463 351763011 /nfs/dbraw/zinc/76/30/11/351763011.db2.gz CVYQSOGAIWRKNN-NXEZZACHSA-N 2 2 256.350 -0.109 20 0 CBADLP CCCNC(=O)NC(=O)C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000094341463 351763013 /nfs/dbraw/zinc/76/30/13/351763013.db2.gz CVYQSOGAIWRKNN-NXEZZACHSA-N 2 2 256.350 -0.109 20 0 CBADLP C[C@@H]1C[N@H+](Cc2cc(=O)n(C)c(=O)n2C)CC[C@@H]1[NH3+] ZINC000094341496 351763108 /nfs/dbraw/zinc/76/31/08/351763108.db2.gz KTECFAADHGMRHM-KOLCDFICSA-N 2 2 266.345 -0.747 20 0 CBADLP C[C@@H]1C[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)CC[C@@H]1[NH3+] ZINC000094341496 351763112 /nfs/dbraw/zinc/76/31/12/351763112.db2.gz KTECFAADHGMRHM-KOLCDFICSA-N 2 2 266.345 -0.747 20 0 CBADLP C[C@@H]1C[N@H+](CC(=O)NC[C@@H]2CCCO2)CC[C@@H]1[NH3+] ZINC000094341830 351763144 /nfs/dbraw/zinc/76/31/44/351763144.db2.gz IIMISLYMMBQHJH-WOPDTQHZSA-N 2 2 255.362 -0.049 20 0 CBADLP C[C@@H]1C[N@@H+](CC(=O)NC[C@@H]2CCCO2)CC[C@@H]1[NH3+] ZINC000094341830 351763148 /nfs/dbraw/zinc/76/31/48/351763148.db2.gz IIMISLYMMBQHJH-WOPDTQHZSA-N 2 2 255.362 -0.049 20 0 CBADLP CC(C)(CNC(=O)[C@@H]1CC[C@H](C[NH3+])O1)[NH+]1CCOCC1 ZINC000094570048 351764288 /nfs/dbraw/zinc/76/42/88/351764288.db2.gz BFBGOFDAWSNFRH-NEPJUHHUSA-N 2 2 285.388 -0.280 20 0 CBADLP C[N@H+](CCCn1cc[nH+]c1)C[C@H](O)CN1CCOCC1 ZINC000119329071 351832968 /nfs/dbraw/zinc/83/29/68/351832968.db2.gz IICVKQRRSWFKRG-AWEZNQCLSA-N 2 2 282.388 -0.102 20 0 CBADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@H](O)CN1CCOCC1 ZINC000119329071 351832970 /nfs/dbraw/zinc/83/29/70/351832970.db2.gz IICVKQRRSWFKRG-AWEZNQCLSA-N 2 2 282.388 -0.102 20 0 CBADLP CC(C[NH+]1CCC[C@@H]1C(N)=O)C[N@@H+]1CCC[C@@H]1C(N)=O ZINC000112662460 351809734 /nfs/dbraw/zinc/80/97/34/351809734.db2.gz QEHRIJZPWHPAPJ-VXGBXAGGSA-N 2 2 282.388 -0.478 20 0 CBADLP CC(C[NH+]1CCC[C@@H]1C(N)=O)C[N@H+]1CCC[C@@H]1C(N)=O ZINC000112662460 351809742 /nfs/dbraw/zinc/80/97/42/351809742.db2.gz QEHRIJZPWHPAPJ-VXGBXAGGSA-N 2 2 282.388 -0.478 20 0 CBADLP CC[N@@H+]1CCO[C@H](CN2CC[NH+](CCC(=O)OC)CC2)C1 ZINC000113163980 351811830 /nfs/dbraw/zinc/81/18/30/351811830.db2.gz BCLMGXWXPGDJDE-AWEZNQCLSA-N 2 2 299.415 -0.112 20 0 CBADLP CC[N@H+]1CCO[C@H](CN2CC[NH+](CCC(=O)OC)CC2)C1 ZINC000113163980 351811835 /nfs/dbraw/zinc/81/18/35/351811835.db2.gz BCLMGXWXPGDJDE-AWEZNQCLSA-N 2 2 299.415 -0.112 20 0 CBADLP C[NH+](C)C[C@H]1CC[N@H+](CC(=O)N2CCOCC2)C1 ZINC000113513888 351814610 /nfs/dbraw/zinc/81/46/10/351814610.db2.gz YCLYRLQIBCNCNZ-GFCCVEGCSA-N 2 2 255.362 -0.271 20 0 CBADLP C[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC000113513888 351814616 /nfs/dbraw/zinc/81/46/16/351814616.db2.gz YCLYRLQIBCNCNZ-GFCCVEGCSA-N 2 2 255.362 -0.271 20 0 CBADLP CC(=O)N1CCN(C(=O)C[N@H+]2CC[C@H](C[NH+](C)C)C2)CC1 ZINC000113514681 351815108 /nfs/dbraw/zinc/81/51/08/351815108.db2.gz IBWLITFBAQIBIC-CQSZACIVSA-N 2 2 296.415 -0.439 20 0 CBADLP CC(=O)N1CCN(C(=O)C[N@@H+]2CC[C@H](C[NH+](C)C)C2)CC1 ZINC000113514681 351815109 /nfs/dbraw/zinc/81/51/09/351815109.db2.gz IBWLITFBAQIBIC-CQSZACIVSA-N 2 2 296.415 -0.439 20 0 CBADLP COC(=O)CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114478027 351817381 /nfs/dbraw/zinc/81/73/81/351817381.db2.gz PEBGTGRWGQZMMT-GHMZBOCLSA-N 2 2 271.361 -0.452 20 0 CBADLP COC(=O)CNC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114478027 351817384 /nfs/dbraw/zinc/81/73/84/351817384.db2.gz PEBGTGRWGQZMMT-GHMZBOCLSA-N 2 2 271.361 -0.452 20 0 CBADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)NC(=O)NC1CC1 ZINC000124582088 351855481 /nfs/dbraw/zinc/85/54/81/351855481.db2.gz YKFHINZZWQCWPM-IUCAKERBSA-N 2 2 254.334 -0.214 20 0 CBADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)NC(=O)NC1CC1 ZINC000124582088 351855483 /nfs/dbraw/zinc/85/54/83/351855483.db2.gz YKFHINZZWQCWPM-IUCAKERBSA-N 2 2 254.334 -0.214 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCNC(=O)CC2)CC1 ZINC000122601119 187040752 /nfs/dbraw/zinc/04/07/52/187040752.db2.gz NZPRCWNBKRPWRB-LBPRGKRZSA-N 2 2 282.388 -0.639 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCNC(=O)CC2)CC1 ZINC000122601119 187040753 /nfs/dbraw/zinc/04/07/53/187040753.db2.gz NZPRCWNBKRPWRB-LBPRGKRZSA-N 2 2 282.388 -0.639 20 0 CBADLP Cc1noc(C)c1CC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000120758021 351843197 /nfs/dbraw/zinc/84/31/97/351843197.db2.gz XQNYQHWCAYTLIB-LLVKDONJSA-N 2 2 266.345 -0.065 20 0 CBADLP Cc1noc(C)c1CC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000120758021 351843200 /nfs/dbraw/zinc/84/32/00/351843200.db2.gz XQNYQHWCAYTLIB-LLVKDONJSA-N 2 2 266.345 -0.065 20 0 CBADLP CCC[N@H+](CC(=O)NC)CC(=O)N1CC[NH+](C)CC1 ZINC000120784162 351843578 /nfs/dbraw/zinc/84/35/78/351843578.db2.gz ARHGGEVIZGQWGA-UHFFFAOYSA-N 2 2 270.377 -0.782 20 0 CBADLP CCC[N@@H+](CC(=O)NC)CC(=O)N1CC[NH+](C)CC1 ZINC000120784162 351843580 /nfs/dbraw/zinc/84/35/80/351843580.db2.gz ARHGGEVIZGQWGA-UHFFFAOYSA-N 2 2 270.377 -0.782 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH+]2CCC(n3cncn3)CC2)CC1 ZINC000120912247 351844085 /nfs/dbraw/zinc/84/40/85/351844085.db2.gz CPTYOKNLZZGUMR-UHFFFAOYSA-N 2 2 292.387 -0.311 20 0 CBADLP OCC[NH+]1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000121785326 351850248 /nfs/dbraw/zinc/85/02/48/351850248.db2.gz MVNRKFTUXMZMEW-UHFFFAOYSA-N 2 2 293.371 -0.573 20 0 CBADLP CC[C@@H]([NH3+])C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000130473166 351879264 /nfs/dbraw/zinc/87/92/64/351879264.db2.gz WCSLGKPVICKKEM-GFCCVEGCSA-N 2 2 281.360 -0.109 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2C[C@H](O)C2(C)C)CC1 ZINC000129552401 351871733 /nfs/dbraw/zinc/87/17/33/351871733.db2.gz DPFKVVJNSLPKRN-QWRGUYRKSA-N 2 2 255.362 -0.491 20 0 CBADLP CN(C)C(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000129574403 351871916 /nfs/dbraw/zinc/87/19/16/351871916.db2.gz WRTVAEAFYBINPV-LBPRGKRZSA-N 2 2 255.362 -0.271 20 0 CBADLP CC[C@@H]([NH3+])C(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000130287516 351877839 /nfs/dbraw/zinc/87/78/39/351877839.db2.gz CWWNCIJASULSFW-ZYHUDNBSSA-N 2 2 282.388 -0.465 20 0 CBADLP C[C@@]1(C(=O)NCC[NH+]2CCOCC2)CCCC[NH2+]1 ZINC000136193035 351918620 /nfs/dbraw/zinc/91/86/20/351918620.db2.gz GPLVHKTUYLKFTH-ZDUSSCGKSA-N 2 2 255.362 -0.033 20 0 CBADLP C[N@@H+](CC(=O)N1CCNC1=O)C[C@@H]1CCC[NH+](C)C1 ZINC000152462347 351939414 /nfs/dbraw/zinc/93/94/14/351939414.db2.gz LMRUCQKFPOPLIO-LLVKDONJSA-N 2 2 268.361 -0.188 20 0 CBADLP C[N@H+](CC(=O)N1CCNC1=O)C[C@@H]1CCC[NH+](C)C1 ZINC000152462347 351939417 /nfs/dbraw/zinc/93/94/17/351939417.db2.gz LMRUCQKFPOPLIO-LLVKDONJSA-N 2 2 268.361 -0.188 20 0 CBADLP C[NH+](CC(=O)N1CCNC1=O)C[C@@H]1CCC[N@H+](C)C1 ZINC000152462347 351939422 /nfs/dbraw/zinc/93/94/22/351939422.db2.gz LMRUCQKFPOPLIO-LLVKDONJSA-N 2 2 268.361 -0.188 20 0 CBADLP C[NH+](CC(=O)N1CCNC1=O)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152462347 351939426 /nfs/dbraw/zinc/93/94/26/351939426.db2.gz LMRUCQKFPOPLIO-LLVKDONJSA-N 2 2 268.361 -0.188 20 0 CBADLP COCC[NH+](CCOC)CC(=O)N1CC[NH+](C)CC1 ZINC000154009404 351944447 /nfs/dbraw/zinc/94/44/47/351944447.db2.gz SWGKKIWLKZKVPV-UHFFFAOYSA-N 2 2 273.377 -0.645 20 0 CBADLP C[NH+](C)C[C@@](C)(O)CNC(=O)NCCn1cc[nH+]c1 ZINC000132703907 351895017 /nfs/dbraw/zinc/89/50/17/351895017.db2.gz LBDIXJIPWHTEEE-LBPRGKRZSA-N 2 2 269.349 -0.505 20 0 CBADLP CC[C@@H](C)[C@@H](NC(=O)C[N@H+](C)CCC[NH3+])C(=O)OC ZINC000133788633 351901975 /nfs/dbraw/zinc/90/19/75/351901975.db2.gz WMUVDNXJVYJTLX-ZYHUDNBSSA-N 2 2 273.377 -0.029 20 0 CBADLP CC[C@@H](C)[C@@H](NC(=O)C[N@@H+](C)CCC[NH3+])C(=O)OC ZINC000133788633 351901977 /nfs/dbraw/zinc/90/19/77/351901977.db2.gz WMUVDNXJVYJTLX-ZYHUDNBSSA-N 2 2 273.377 -0.029 20 0 CBADLP CN(C)c1nc(N2CC[NH+](CCOCCO)CC2)cc[nH+]1 ZINC000134130553 351904297 /nfs/dbraw/zinc/90/42/97/351904297.db2.gz HDRKQSWOVNWJLQ-UHFFFAOYSA-N 2 2 295.387 -0.327 20 0 CBADLP CN(C)C(=O)C[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000134115789 351904672 /nfs/dbraw/zinc/90/46/72/351904672.db2.gz ZNEHJDUNZHYAJC-UHFFFAOYSA-N 2 2 292.387 -0.247 20 0 CBADLP C[N@@H+]1CCN(C(=O)CCC2CC[NH2+]CC2)[C@@H](C[NH3+])C1 ZINC000154530251 351946684 /nfs/dbraw/zinc/94/66/84/351946684.db2.gz SOFZXLKJGCMHPX-ZDUSSCGKSA-N 3 2 268.405 -0.133 20 0 CBADLP C[N@H+]1CCN(C(=O)CCC2CC[NH2+]CC2)[C@@H](C[NH3+])C1 ZINC000154530251 351946686 /nfs/dbraw/zinc/94/66/86/351946686.db2.gz SOFZXLKJGCMHPX-ZDUSSCGKSA-N 3 2 268.405 -0.133 20 0 CBADLP C[C@@H](C(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1)[C@H](C)[NH3+] ZINC000156635587 351952527 /nfs/dbraw/zinc/95/25/27/351952527.db2.gz GIAQCYJELMZTIV-NEPJUHHUSA-N 2 2 284.404 -0.408 20 0 CBADLP C[C@@H](C(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1)[C@H](C)[NH3+] ZINC000156635587 351952530 /nfs/dbraw/zinc/95/25/30/351952530.db2.gz GIAQCYJELMZTIV-NEPJUHHUSA-N 2 2 284.404 -0.408 20 0 CBADLP O=S1(=O)CCC[C@H]1C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000156700293 351954216 /nfs/dbraw/zinc/95/42/16/351954216.db2.gz XZUWEDDLGCCBGK-NEPJUHHUSA-N 2 2 276.402 -0.390 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCOCCO)CC1 ZINC000162771228 351979339 /nfs/dbraw/zinc/97/93/39/351979339.db2.gz MJKJOWFPPIEBTG-ZDUSSCGKSA-N 2 2 285.388 -0.766 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCOCCO)CC1 ZINC000162771228 351979340 /nfs/dbraw/zinc/97/93/40/351979340.db2.gz MJKJOWFPPIEBTG-ZDUSSCGKSA-N 2 2 285.388 -0.766 20 0 CBADLP COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1CCn1cc[nH+]c1C ZINC000163779980 351983061 /nfs/dbraw/zinc/98/30/61/351983061.db2.gz WSFMSYWLLDSYFZ-GHMZBOCLSA-N 2 2 253.302 -0.200 20 0 CBADLP COC(=O)[C@H]1C[C@@H](O)C[N@H+]1CCn1cc[nH+]c1C ZINC000163779980 351983064 /nfs/dbraw/zinc/98/30/64/351983064.db2.gz WSFMSYWLLDSYFZ-GHMZBOCLSA-N 2 2 253.302 -0.200 20 0 CBADLP CC(C)C[C@H](CNC(=O)CN1CC[NH2+]CC1=O)[NH+](C)C ZINC000164352060 351983707 /nfs/dbraw/zinc/98/37/07/351983707.db2.gz HJZQDRLAHJFUQU-GFCCVEGCSA-N 2 2 284.404 -0.489 20 0 CBADLP O=C([C@@H]1CC[NH2+]C1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000165684729 351986946 /nfs/dbraw/zinc/98/69/46/351986946.db2.gz FEJRYQKMNIMSLA-OLZOCXBDSA-N 2 2 267.373 -0.081 20 0 CBADLP COCC[NH2+]CC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000167694432 351989712 /nfs/dbraw/zinc/98/97/12/351989712.db2.gz OIBLDZYCQTUHRS-NWDGAFQWSA-N 2 2 273.377 -0.552 20 0 CBADLP C[C@@H](NC(=O)[C@@H]1CSC[NH2+]1)[C@H](C)[NH+]1CCOCC1 ZINC000167696041 351990756 /nfs/dbraw/zinc/99/07/56/351990756.db2.gz JMWFWENXBFOGLJ-VWYCJHECSA-N 2 2 273.402 -0.126 20 0 CBADLP COCC[N@@H+]1CCN(C(=O)[C@]2(F)CC[NH2+]C2)C[C@@H]1C ZINC000168033686 351991470 /nfs/dbraw/zinc/99/14/70/351991470.db2.gz HVNXTIFVSOWTTI-AAEUAGOBSA-N 2 2 273.352 -0.133 20 0 CBADLP COCC[N@H+]1CCN(C(=O)[C@]2(F)CC[NH2+]C2)C[C@@H]1C ZINC000168033686 351991475 /nfs/dbraw/zinc/99/14/75/351991475.db2.gz HVNXTIFVSOWTTI-AAEUAGOBSA-N 2 2 273.352 -0.133 20 0 CBADLP C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000171604638 352013621 /nfs/dbraw/zinc/01/36/21/352013621.db2.gz GZAUIDMIUQPAMN-NEPJUHHUSA-N 2 2 255.362 -0.394 20 0 CBADLP C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000171604638 352013625 /nfs/dbraw/zinc/01/36/25/352013625.db2.gz GZAUIDMIUQPAMN-NEPJUHHUSA-N 2 2 255.362 -0.394 20 0 CBADLP CC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)N2CCNC2=O)C1 ZINC000173881982 352041802 /nfs/dbraw/zinc/04/18/02/352041802.db2.gz OKXHOJTVOBNCSZ-NSHDSACASA-N 2 2 268.361 -0.188 20 0 CBADLP CC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)N2CCNC2=O)C1 ZINC000173881982 352041803 /nfs/dbraw/zinc/04/18/03/352041803.db2.gz OKXHOJTVOBNCSZ-NSHDSACASA-N 2 2 268.361 -0.188 20 0 CBADLP CC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N2CCNC2=O)C1 ZINC000173881982 352041805 /nfs/dbraw/zinc/04/18/05/352041805.db2.gz OKXHOJTVOBNCSZ-NSHDSACASA-N 2 2 268.361 -0.188 20 0 CBADLP CC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N2CCNC2=O)C1 ZINC000173881982 352041808 /nfs/dbraw/zinc/04/18/08/352041808.db2.gz OKXHOJTVOBNCSZ-NSHDSACASA-N 2 2 268.361 -0.188 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)NCC[NH+]2CCOC(C)(C)C2)C1 ZINC000174462495 352047523 /nfs/dbraw/zinc/04/75/23/352047523.db2.gz OIINFUBGBJIPTG-LBPRGKRZSA-N 2 2 285.388 -0.456 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)NCC[NH+]2CCOC(C)(C)C2)C1 ZINC000174462495 352047527 /nfs/dbraw/zinc/04/75/27/352047527.db2.gz OIINFUBGBJIPTG-LBPRGKRZSA-N 2 2 285.388 -0.456 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)NCC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000174462495 352047531 /nfs/dbraw/zinc/04/75/31/352047531.db2.gz OIINFUBGBJIPTG-LBPRGKRZSA-N 2 2 285.388 -0.456 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)NCC[N@H+]2CCOC(C)(C)C2)C1 ZINC000174462495 352047534 /nfs/dbraw/zinc/04/75/34/352047534.db2.gz OIINFUBGBJIPTG-LBPRGKRZSA-N 2 2 285.388 -0.456 20 0 CBADLP C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH+]1CCOCC1 ZINC000174590797 352047838 /nfs/dbraw/zinc/04/78/38/352047838.db2.gz ZEUGIDVZSDTFPD-VXGBXAGGSA-N 2 2 271.361 -0.846 20 0 CBADLP C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH+]1CCOCC1 ZINC000174590797 352047843 /nfs/dbraw/zinc/04/78/43/352047843.db2.gz ZEUGIDVZSDTFPD-VXGBXAGGSA-N 2 2 271.361 -0.846 20 0 CBADLP CC(C)[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000174575436 352048113 /nfs/dbraw/zinc/04/81/13/352048113.db2.gz OZMMZEXHOPCEBZ-LBPRGKRZSA-N 2 2 255.362 -0.130 20 0 CBADLP CC(C)[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000174575436 352048115 /nfs/dbraw/zinc/04/81/15/352048115.db2.gz OZMMZEXHOPCEBZ-LBPRGKRZSA-N 2 2 255.362 -0.130 20 0 CBADLP CC(C)N1CC[C@H]([NH+]2CCN(C(=O)C[NH+](C)C)CC2)C1=O ZINC000175085512 352053155 /nfs/dbraw/zinc/05/31/55/352053155.db2.gz CHLCJESNHICEQC-ZDUSSCGKSA-N 2 2 296.415 -0.299 20 0 CBADLP COCCOCC[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000176890158 352069324 /nfs/dbraw/zinc/06/93/24/352069324.db2.gz FTEQZLYNACVKPO-UHFFFAOYSA-N 2 2 273.377 -0.645 20 0 CBADLP CC(=O)N[C@@H](C)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000177118759 352070465 /nfs/dbraw/zinc/07/04/65/352070465.db2.gz FEAGKMIYSKOTAT-NSHDSACASA-N 2 2 284.404 -0.347 20 0 CBADLP COCC[NH+]1CCN(CCC[NH+]2CCOCC2)CC1 ZINC000173512559 352037852 /nfs/dbraw/zinc/03/78/52/352037852.db2.gz KWGQPRRDWZBDRB-UHFFFAOYSA-N 2 2 271.405 -0.027 20 0 CBADLP COC[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000178070462 352076960 /nfs/dbraw/zinc/07/69/60/352076960.db2.gz BTXQOWJUSNELEW-LBPRGKRZSA-N 2 2 255.362 -0.225 20 0 CBADLP CC1(C)C[N@H+](CCNC(=O)[C@@H]2COCC[NH2+]2)CCO1 ZINC000178743899 352083049 /nfs/dbraw/zinc/08/30/49/352083049.db2.gz OJQYGTJIJADMFT-NSHDSACASA-N 2 2 271.361 -0.798 20 0 CBADLP CC1(C)C[N@@H+](CCNC(=O)[C@@H]2COCC[NH2+]2)CCO1 ZINC000178743899 352083052 /nfs/dbraw/zinc/08/30/52/352083052.db2.gz OJQYGTJIJADMFT-NSHDSACASA-N 2 2 271.361 -0.798 20 0 CBADLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000178763795 352083482 /nfs/dbraw/zinc/08/34/82/352083482.db2.gz YSDUMQMAMIIGSE-LLVKDONJSA-N 2 2 255.362 -0.035 20 0 CBADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000178763795 352083483 /nfs/dbraw/zinc/08/34/83/352083483.db2.gz YSDUMQMAMIIGSE-LLVKDONJSA-N 2 2 255.362 -0.035 20 0 CBADLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000178763868 352083605 /nfs/dbraw/zinc/08/36/05/352083605.db2.gz WJQXPZVHQQMPTB-NSHDSACASA-N 2 2 271.361 -0.798 20 0 CBADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000178763868 352083608 /nfs/dbraw/zinc/08/36/08/352083608.db2.gz WJQXPZVHQQMPTB-NSHDSACASA-N 2 2 271.361 -0.798 20 0 CBADLP COCC[NH2+]CC(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000178862026 352084268 /nfs/dbraw/zinc/08/42/68/352084268.db2.gz OWPVMUYLNWODFK-QWHCGFSZSA-N 2 2 285.388 -0.599 20 0 CBADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000178881654 352084782 /nfs/dbraw/zinc/08/47/82/352084782.db2.gz YRLLPXRHYNUMLT-QWHCGFSZSA-N 2 2 268.405 -0.262 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+]2)C[C@H]1[NH+]1CCOCC1 ZINC000178861495 352084851 /nfs/dbraw/zinc/08/48/51/352084851.db2.gz AWQUWWKYXNQPTC-FRRDWIJNSA-N 2 2 267.373 -0.083 20 0 CBADLP COC[C@H](C)[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181026317 352097213 /nfs/dbraw/zinc/09/72/13/352097213.db2.gz QZQHGNKMRICMFX-QWHCGFSZSA-N 2 2 285.388 -0.456 20 0 CBADLP CCOC[C@H](C)[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181046091 352097520 /nfs/dbraw/zinc/09/75/20/352097520.db2.gz YIRWLPYFSDFRDQ-KBPBESRZSA-N 2 2 299.415 -0.066 20 0 CBADLP C[C@@H](O)CC[N@H+](C)CC(O)C[NH+](C)CC[C@H](C)O ZINC000181801025 352100835 /nfs/dbraw/zinc/10/08/35/352100835.db2.gz OIYFBXKVYGPGBN-FUNVUKJBSA-N 2 2 262.394 -0.247 20 0 CBADLP C[C@@H](O)CC[N@@H+](C)CC(O)C[NH+](C)CC[C@H](C)O ZINC000181801025 352100838 /nfs/dbraw/zinc/10/08/38/352100838.db2.gz OIYFBXKVYGPGBN-FUNVUKJBSA-N 2 2 262.394 -0.247 20 0 CBADLP C[C@@H](O)CC[NH+](C)CC(O)C[N@H+](C)CC[C@H](C)O ZINC000181801025 352100840 /nfs/dbraw/zinc/10/08/40/352100840.db2.gz OIYFBXKVYGPGBN-FUNVUKJBSA-N 2 2 262.394 -0.247 20 0 CBADLP C[C@@H](O)CC[NH+](C)CC(O)C[N@@H+](C)CC[C@H](C)O ZINC000181801025 352100842 /nfs/dbraw/zinc/10/08/42/352100842.db2.gz OIYFBXKVYGPGBN-FUNVUKJBSA-N 2 2 262.394 -0.247 20 0 CBADLP O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188901739 352160811 /nfs/dbraw/zinc/16/08/11/352160811.db2.gz ZHKPKKAAKIWJDW-MVWJERBFSA-N 2 2 271.336 -0.334 20 0 CBADLP O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188901739 352160816 /nfs/dbraw/zinc/16/08/16/352160816.db2.gz ZHKPKKAAKIWJDW-MVWJERBFSA-N 2 2 271.336 -0.334 20 0 CBADLP C[C@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)[C@@H]1CO ZINC000189730692 352173927 /nfs/dbraw/zinc/17/39/27/352173927.db2.gz NCKSLHSWKAJBSL-NWDGAFQWSA-N 2 2 255.362 -0.537 20 0 CBADLP C[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)[C@@H]1CO ZINC000189730692 352173932 /nfs/dbraw/zinc/17/39/32/352173932.db2.gz NCKSLHSWKAJBSL-NWDGAFQWSA-N 2 2 255.362 -0.537 20 0 CBADLP C[C@@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)C[C@H]1CO ZINC000190857752 352184556 /nfs/dbraw/zinc/18/45/56/352184556.db2.gz YWMLOIZHHGOGNY-NEPJUHHUSA-N 2 2 255.362 -0.679 20 0 CBADLP C[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)C[C@H]1CO ZINC000190857752 352184560 /nfs/dbraw/zinc/18/45/60/352184560.db2.gz YWMLOIZHHGOGNY-NEPJUHHUSA-N 2 2 255.362 -0.679 20 0 CBADLP COCC[NH+]1CCN(CC[N@H+]2CCO[C@@H](C)C2)CC1 ZINC000191422481 352188016 /nfs/dbraw/zinc/18/80/16/352188016.db2.gz YHZYDCQXAPNETK-AWEZNQCLSA-N 2 2 271.405 -0.029 20 0 CBADLP COCC[NH+]1CCN(CC[N@H+]2CCO[C@H](C)C2)CC1 ZINC000191422471 352188267 /nfs/dbraw/zinc/18/82/67/352188267.db2.gz YHZYDCQXAPNETK-CQSZACIVSA-N 2 2 271.405 -0.029 20 0 CBADLP COC(=O)[C@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)C[C@H]1C ZINC000191831526 352192834 /nfs/dbraw/zinc/19/28/34/352192834.db2.gz VUBGVXHBZXLNMJ-OLZOCXBDSA-N 2 2 297.399 -0.109 20 0 CBADLP COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C[C@H]1C ZINC000191831526 352192835 /nfs/dbraw/zinc/19/28/35/352192835.db2.gz VUBGVXHBZXLNMJ-OLZOCXBDSA-N 2 2 297.399 -0.109 20 0 CBADLP CO[C@@H]1C[NH2+][C@@H](C(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)C1 ZINC000187976739 352145055 /nfs/dbraw/zinc/14/50/55/352145055.db2.gz CPHMAOSKBMOFHD-XJFOESAGSA-N 2 2 297.399 -0.458 20 0 CBADLP C[C@H]1CN(C(=O)[C@H]2C[NH2+]CCO2)C[C@@H]1[NH+]1CCOCC1 ZINC000188269570 352149691 /nfs/dbraw/zinc/14/96/91/352149691.db2.gz CCUBOSBKJIFLRB-RWMBFGLXSA-N 2 2 283.372 -0.846 20 0 CBADLP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000221298214 352239642 /nfs/dbraw/zinc/23/96/42/352239642.db2.gz NLDBNJNHFPKPER-ZJUUUORDSA-N 2 2 256.350 -0.238 20 0 CBADLP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000221298214 352239643 /nfs/dbraw/zinc/23/96/43/352239643.db2.gz NLDBNJNHFPKPER-ZJUUUORDSA-N 2 2 256.350 -0.238 20 0 CBADLP C[C@@H]([NH3+])CCC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000193292320 352204122 /nfs/dbraw/zinc/20/41/22/352204122.db2.gz BGDWXCIOWZSTRA-CYBMUJFWSA-N 2 2 296.415 -0.120 20 0 CBADLP CCOC(=O)CCCNC(=O)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193644477 352207796 /nfs/dbraw/zinc/20/77/96/352207796.db2.gz CKQPBKZCJODZCW-BETUJISGSA-N 2 2 297.399 -0.061 20 0 CBADLP CCOC(=O)CCCNC(=O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193644477 352207798 /nfs/dbraw/zinc/20/77/98/352207798.db2.gz CKQPBKZCJODZCW-BETUJISGSA-N 2 2 297.399 -0.061 20 0 CBADLP CCOC(=O)CCCNC(=O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193644477 352207799 /nfs/dbraw/zinc/20/77/99/352207799.db2.gz CKQPBKZCJODZCW-BETUJISGSA-N 2 2 297.399 -0.061 20 0 CBADLP CCOC(=O)CCCNC(=O)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193644477 352207801 /nfs/dbraw/zinc/20/78/01/352207801.db2.gz CKQPBKZCJODZCW-BETUJISGSA-N 2 2 297.399 -0.061 20 0 CBADLP C[N@H+](CCCCCO)CC(=O)N1CC[NH+](C)CC1 ZINC000227116789 352255494 /nfs/dbraw/zinc/25/54/94/352255494.db2.gz UUGTVTOFXSVILF-UHFFFAOYSA-N 2 2 257.378 -0.145 20 0 CBADLP C[N@@H+](CCCCCO)CC(=O)N1CC[NH+](C)CC1 ZINC000227116789 352255500 /nfs/dbraw/zinc/25/55/00/352255500.db2.gz UUGTVTOFXSVILF-UHFFFAOYSA-N 2 2 257.378 -0.145 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000227066747 352255814 /nfs/dbraw/zinc/25/58/14/352255814.db2.gz KXPPXPPOEPXEJA-RYUDHWBXSA-N 2 2 284.404 -0.360 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000227066747 352255817 /nfs/dbraw/zinc/25/58/17/352255817.db2.gz KXPPXPPOEPXEJA-RYUDHWBXSA-N 2 2 284.404 -0.360 20 0 CBADLP O=C(NCC[NH+]1CCSCC1)[C@H]1CSC[NH2+]1 ZINC000226390328 352252127 /nfs/dbraw/zinc/25/21/27/352252127.db2.gz RWJPBGXDHLQVAQ-SECBINFHSA-N 2 2 261.416 -0.186 20 0 CBADLP C[N@@H+]1CCN(Cc2ccc(C(N)=O)cc2)[C@@H](C[NH3+])C1 ZINC000226618954 352254060 /nfs/dbraw/zinc/25/40/60/352254060.db2.gz PMQBKASPFUJNMQ-ZDUSSCGKSA-N 2 2 262.357 -0.140 20 0 CBADLP C[N@H+]1CCN(Cc2ccc(C(N)=O)cc2)[C@@H](C[NH3+])C1 ZINC000226618954 352254062 /nfs/dbraw/zinc/25/40/62/352254062.db2.gz PMQBKASPFUJNMQ-ZDUSSCGKSA-N 2 2 262.357 -0.140 20 0 CBADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000245460707 352320732 /nfs/dbraw/zinc/32/07/32/352320732.db2.gz MMDPJPYZDZRDFL-ZIAGYGMSSA-N 2 2 299.415 -0.210 20 0 CBADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000245460707 352320734 /nfs/dbraw/zinc/32/07/34/352320734.db2.gz MMDPJPYZDZRDFL-ZIAGYGMSSA-N 2 2 299.415 -0.210 20 0 CBADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000245460707 352320735 /nfs/dbraw/zinc/32/07/35/352320735.db2.gz MMDPJPYZDZRDFL-ZIAGYGMSSA-N 2 2 299.415 -0.210 20 0 CBADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000245460707 352320738 /nfs/dbraw/zinc/32/07/38/352320738.db2.gz MMDPJPYZDZRDFL-ZIAGYGMSSA-N 2 2 299.415 -0.210 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCO[C@H]2C2CC2)CC1 ZINC000234380483 352282524 /nfs/dbraw/zinc/28/25/24/352282524.db2.gz PHORTMBMPSUAOJ-OCCSQVGLSA-N 2 2 267.373 -0.083 20 0 CBADLP C[C@@H]1C[C@H](C(=O)NC[C@@H]2C[N@H+](C)CCO2)CC[NH2+]1 ZINC000235364110 352286786 /nfs/dbraw/zinc/28/67/86/352286786.db2.gz GYYRSHZLOSBCMG-IJLUTSLNSA-N 2 2 255.362 -0.179 20 0 CBADLP C[C@@H]1C[C@H](C(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC[NH2+]1 ZINC000235364110 352286791 /nfs/dbraw/zinc/28/67/91/352286791.db2.gz GYYRSHZLOSBCMG-IJLUTSLNSA-N 2 2 255.362 -0.179 20 0 CBADLP CC(C)(CNC(=O)C[NH2+]C[C@@H]1CCCO1)[NH+]1CCOCC1 ZINC000236655581 352292186 /nfs/dbraw/zinc/29/21/86/352292186.db2.gz WZUHHECWMZBVPR-ZDUSSCGKSA-N 2 2 299.415 -0.018 20 0 CBADLP COCC[NH2+]CC(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000237187934 352301800 /nfs/dbraw/zinc/30/18/00/352301800.db2.gz BCQZSOAGLRHFLP-ZDUSSCGKSA-N 2 2 287.404 -0.305 20 0 CBADLP C[C@H]([NH3+])C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000237400691 352303734 /nfs/dbraw/zinc/30/37/34/352303734.db2.gz PNROJUDYZAIMFH-NSHDSACASA-N 2 2 278.360 -0.938 20 0 CBADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000237500835 352306410 /nfs/dbraw/zinc/30/64/10/352306410.db2.gz PLJYZZXJWNTFBH-WCQYABFASA-N 2 2 294.399 -0.450 20 0 CBADLP C[C@H](CNC(=O)[C@H]1COCC[NH2+]1)Cn1cc[nH+]c1 ZINC000237467724 352306483 /nfs/dbraw/zinc/30/64/83/352306483.db2.gz ZCXVICVHCOEVDR-GHMZBOCLSA-N 2 2 252.318 -0.376 20 0 CBADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)[C@H]1COCC[NH2+]1 ZINC000237599988 352308108 /nfs/dbraw/zinc/30/81/08/352308108.db2.gz DXRHMHXZFQXRHS-CMPLNLGQSA-N 2 2 266.345 -0.068 20 0 CBADLP C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)C[NH3+])CC1 ZINC000237649709 352308218 /nfs/dbraw/zinc/30/82/18/352308218.db2.gz DUIVZMVAGKNDNC-GFCCVEGCSA-N 2 2 282.388 -0.510 20 0 CBADLP [NH3+][C@@H]1CCN(C(=O)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000237913439 352310777 /nfs/dbraw/zinc/31/07/77/352310777.db2.gz ZLIAPFXBFQGOES-CYBMUJFWSA-N 2 2 289.383 -0.237 20 0 CBADLP O=C([C@@H]1CSC[NH2+]1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000237962130 352312030 /nfs/dbraw/zinc/31/20/30/352312030.db2.gz PMMWZDWKWXQABX-RYUDHWBXSA-N 2 2 285.413 -0.170 20 0 CBADLP O=C([C@@H]1CSC[NH2+]1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000237962160 352312382 /nfs/dbraw/zinc/31/23/82/352312382.db2.gz PMMWZDWKWXQABX-NEPJUHHUSA-N 2 2 285.413 -0.170 20 0 CBADLP CC[C@@H]1CN(C(=O)[C@H]2C[NH+](C)CCO2)CC[N@@H+]1C[C@H](C)O ZINC000245422431 352320610 /nfs/dbraw/zinc/32/06/10/352320610.db2.gz ITPKGALIFUOIFQ-BFHYXJOUSA-N 2 2 299.415 -0.379 20 0 CBADLP CC[C@@H]1CN(C(=O)[C@H]2C[NH+](C)CCO2)CC[N@H+]1C[C@H](C)O ZINC000245422431 352320612 /nfs/dbraw/zinc/32/06/12/352320612.db2.gz ITPKGALIFUOIFQ-BFHYXJOUSA-N 2 2 299.415 -0.379 20 0 CBADLP CC[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)CC[NH+]1C[C@H](C)O ZINC000245422431 352320615 /nfs/dbraw/zinc/32/06/15/352320615.db2.gz ITPKGALIFUOIFQ-BFHYXJOUSA-N 2 2 299.415 -0.379 20 0 CBADLP CC[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC[NH+]1C[C@H](C)O ZINC000245422431 352320618 /nfs/dbraw/zinc/32/06/18/352320618.db2.gz ITPKGALIFUOIFQ-BFHYXJOUSA-N 2 2 299.415 -0.379 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2C[NH+](C3CC3)CCO2)C1 ZINC000245470147 352321527 /nfs/dbraw/zinc/32/15/27/352321527.db2.gz WADJWNJHTLPUNL-UONOGXRCSA-N 2 2 297.399 -0.314 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2C[NH+](C3CC3)CCO2)C1 ZINC000245470147 352321529 /nfs/dbraw/zinc/32/15/29/352321529.db2.gz WADJWNJHTLPUNL-UONOGXRCSA-N 2 2 297.399 -0.314 20 0 CBADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)C1 ZINC000245470147 352321531 /nfs/dbraw/zinc/32/15/31/352321531.db2.gz WADJWNJHTLPUNL-UONOGXRCSA-N 2 2 297.399 -0.314 20 0 CBADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)C1 ZINC000245470147 352321532 /nfs/dbraw/zinc/32/15/32/352321532.db2.gz WADJWNJHTLPUNL-UONOGXRCSA-N 2 2 297.399 -0.314 20 0 CBADLP C[N@@H+]1CCCC[C@H]1CN1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC000245693282 352323985 /nfs/dbraw/zinc/32/39/85/352323985.db2.gz QLBSIMUOBZSIIG-KBPBESRZSA-N 2 2 280.416 -0.023 20 0 CBADLP C[N@H+]1CCCC[C@H]1CN1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC000245693282 352323987 /nfs/dbraw/zinc/32/39/87/352323987.db2.gz QLBSIMUOBZSIIG-KBPBESRZSA-N 2 2 280.416 -0.023 20 0 CBADLP OC[C@H]1CCC[N@@H+]1C[C@H](O)C[NH+]1CCC[C@H]1CO ZINC000246045055 352327359 /nfs/dbraw/zinc/32/73/59/352327359.db2.gz XMRVUDHHSQONKS-ITGUQSILSA-N 2 2 258.362 -0.739 20 0 CBADLP OC[C@H]1CCC[N@H+]1C[C@H](O)C[NH+]1CCC[C@H]1CO ZINC000246045055 352327361 /nfs/dbraw/zinc/32/73/61/352327361.db2.gz XMRVUDHHSQONKS-ITGUQSILSA-N 2 2 258.362 -0.739 20 0 CBADLP OC[C@H]1CCC[NH+]1C[C@H](O)C[N@@H+]1CCC[C@H]1CO ZINC000246045055 352327362 /nfs/dbraw/zinc/32/73/62/352327362.db2.gz XMRVUDHHSQONKS-ITGUQSILSA-N 2 2 258.362 -0.739 20 0 CBADLP OC[C@H]1CCC[NH+]1C[C@H](O)C[N@H+]1CCC[C@H]1CO ZINC000246045055 352327364 /nfs/dbraw/zinc/32/73/64/352327364.db2.gz XMRVUDHHSQONKS-ITGUQSILSA-N 2 2 258.362 -0.739 20 0 CBADLP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246304826 352331366 /nfs/dbraw/zinc/33/13/66/352331366.db2.gz CNZJETZQMKOIQY-UWVGGRQHSA-N 2 2 256.350 -0.286 20 0 CBADLP CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246304826 352331367 /nfs/dbraw/zinc/33/13/67/352331367.db2.gz CNZJETZQMKOIQY-UWVGGRQHSA-N 2 2 256.350 -0.286 20 0 CBADLP C[C@@H]1CN(C(=O)[C@H]2COCC[NH2+]2)C[C@@H]1[NH+]1CCOCC1 ZINC000246720951 352337398 /nfs/dbraw/zinc/33/73/98/352337398.db2.gz XOKGTRZNVQJWJA-UPJWGTAASA-N 2 2 283.372 -0.846 20 0 CBADLP C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000248838488 352355959 /nfs/dbraw/zinc/35/59/59/352355959.db2.gz OOWYXJXPGLCYGW-CLLJXQQHSA-N 2 2 269.389 -0.006 20 0 CBADLP C[NH+](C)C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H](C(N)=O)C2)C1 ZINC000247311774 352346429 /nfs/dbraw/zinc/34/64/29/352346429.db2.gz OCZPZRMMAPWRMT-CHWSQXEVSA-N 2 2 296.415 -0.406 20 0 CBADLP C[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@@H](C(N)=O)C2)C1 ZINC000247311774 352346434 /nfs/dbraw/zinc/34/64/34/352346434.db2.gz OCZPZRMMAPWRMT-CHWSQXEVSA-N 2 2 296.415 -0.406 20 0 CBADLP C[C@H](O)C[N@@H+]1CCN(CC(=O)N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000249516409 352366915 /nfs/dbraw/zinc/36/69/15/352366915.db2.gz RIZAFHDZSSEHIP-KGLIPLIRSA-N 2 2 298.431 -0.853 20 0 CBADLP C[C@H](O)C[N@H+]1CCN(CC(=O)N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000249516409 352366919 /nfs/dbraw/zinc/36/69/19/352366919.db2.gz RIZAFHDZSSEHIP-KGLIPLIRSA-N 2 2 298.431 -0.853 20 0 CBADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000250303078 352371937 /nfs/dbraw/zinc/37/19/37/352371937.db2.gz QWMBEDSOZUPLSP-KXUCPTDWSA-N 2 2 256.350 -0.110 20 0 CBADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000250303078 352371939 /nfs/dbraw/zinc/37/19/39/352371939.db2.gz QWMBEDSOZUPLSP-KXUCPTDWSA-N 2 2 256.350 -0.110 20 0 CBADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@H]1CSC[NH2+]1 ZINC000250398610 352371982 /nfs/dbraw/zinc/37/19/82/352371982.db2.gz RTIMPCVGSSAPBY-VHSXEESVSA-N 2 2 258.391 -0.989 20 0 CBADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@H]1CSC[NH2+]1 ZINC000250398610 352371983 /nfs/dbraw/zinc/37/19/83/352371983.db2.gz RTIMPCVGSSAPBY-VHSXEESVSA-N 2 2 258.391 -0.989 20 0 CBADLP O[C@H](CN[C@H]1CC[N@@H+]2CCCC[C@H]12)C[NH+]1CCOCC1 ZINC000250811445 352374325 /nfs/dbraw/zinc/37/43/25/352374325.db2.gz DLBGKIKGDIVDDM-QLFBSQMISA-N 2 2 283.416 -0.104 20 0 CBADLP O[C@H](CN[C@H]1CC[N@H+]2CCCC[C@H]12)C[NH+]1CCOCC1 ZINC000250811445 352374328 /nfs/dbraw/zinc/37/43/28/352374328.db2.gz DLBGKIKGDIVDDM-QLFBSQMISA-N 2 2 283.416 -0.104 20 0 CBADLP O[C@H](C[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)CN1CCOCC1 ZINC000250811445 352374333 /nfs/dbraw/zinc/37/43/33/352374333.db2.gz DLBGKIKGDIVDDM-QLFBSQMISA-N 2 2 283.416 -0.104 20 0 CBADLP O[C@H](C[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)CN1CCOCC1 ZINC000250811445 352374336 /nfs/dbraw/zinc/37/43/36/352374336.db2.gz DLBGKIKGDIVDDM-QLFBSQMISA-N 2 2 283.416 -0.104 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000252600442 352378078 /nfs/dbraw/zinc/37/80/78/352378078.db2.gz LPSLOGFSCLWRLF-GRYCIOLGSA-N 2 2 255.362 -0.179 20 0 CBADLP O=C(NCC[NH+]1CCOCC1)N[C@H]1CCCC[NH2+]C1 ZINC000258203649 352386918 /nfs/dbraw/zinc/38/69/18/352386918.db2.gz PTOUNYLTDZETBC-LBPRGKRZSA-N 2 2 270.377 -0.240 20 0 CBADLP [NH3+]C[C@H]1CC[C@@H](C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)O1 ZINC000261923907 352400677 /nfs/dbraw/zinc/40/06/77/352400677.db2.gz ZAMQLQUNQJZZNR-MJBXVCDLSA-N 2 2 297.399 -0.184 20 0 CBADLP O=C(C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)N1CCOCC1 ZINC000261590988 352389908 /nfs/dbraw/zinc/38/99/08/352389908.db2.gz XGVPJQAUHMSMQL-RYUDHWBXSA-N 2 2 253.346 -0.471 20 0 CBADLP O=C(C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)N1CCOCC1 ZINC000261590988 352389911 /nfs/dbraw/zinc/38/99/11/352389911.db2.gz XGVPJQAUHMSMQL-RYUDHWBXSA-N 2 2 253.346 -0.471 20 0 CBADLP CCCNC(=O)[C@@H](C)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261606126 352390727 /nfs/dbraw/zinc/39/07/27/352390727.db2.gz RKUGJTFWMOPHBM-OLZOCXBDSA-N 2 2 268.405 -0.119 20 0 CBADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)[C@H]1CCC[NH2+]1 ZINC000261603211 352391016 /nfs/dbraw/zinc/39/10/16/352391016.db2.gz AOXHJEVWAGVVCQ-GFCCVEGCSA-N 2 2 293.371 -0.094 20 0 CBADLP C[C@]1(C[NH3+])CC[N@H+](CC(=O)NCC(=O)N2CCCC2)C1 ZINC000261603867 352391335 /nfs/dbraw/zinc/39/13/35/352391335.db2.gz AIQUSWDOFVSWIC-CQSZACIVSA-N 2 2 282.388 -0.604 20 0 CBADLP C[C@]1(C[NH3+])CC[N@@H+](CC(=O)NCC(=O)N2CCCC2)C1 ZINC000261603867 352391337 /nfs/dbraw/zinc/39/13/37/352391337.db2.gz AIQUSWDOFVSWIC-CQSZACIVSA-N 2 2 282.388 -0.604 20 0 CBADLP CC(=O)N1CCN(C(=O)C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000261622701 352391842 /nfs/dbraw/zinc/39/18/42/352391842.db2.gz GRGVDMXDHXPJPK-UONOGXRCSA-N 2 2 294.399 -0.639 20 0 CBADLP CC(=O)N1CCN(C(=O)C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000261622701 352391849 /nfs/dbraw/zinc/39/18/49/352391849.db2.gz GRGVDMXDHXPJPK-UONOGXRCSA-N 2 2 294.399 -0.639 20 0 CBADLP CC[C@H](C)NC(=O)C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261620950 352392257 /nfs/dbraw/zinc/39/22/57/352392257.db2.gz UQRAULFTBXLNNC-QWHCGFSZSA-N 2 2 268.405 -0.119 20 0 CBADLP C[NH2+][C@@H](C)CNC(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000261727135 352393737 /nfs/dbraw/zinc/39/37/37/352393737.db2.gz LHLCSBJBUZMKBM-ZDUSSCGKSA-N 2 2 291.399 -0.072 20 0 CBADLP Cn1c(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc(=O)n(C)c1=O ZINC000261691766 352394484 /nfs/dbraw/zinc/39/44/84/352394484.db2.gz HPDQAWXZKRVKSS-ZYHUDNBSSA-N 2 2 278.356 -0.732 20 0 CBADLP Cn1c(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc(=O)n(C)c1=O ZINC000261691766 352394489 /nfs/dbraw/zinc/39/44/89/352394489.db2.gz HPDQAWXZKRVKSS-ZYHUDNBSSA-N 2 2 278.356 -0.732 20 0 CBADLP Cn1c(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc(=O)n(C)c1=O ZINC000261691763 352394535 /nfs/dbraw/zinc/39/45/35/352394535.db2.gz HPDQAWXZKRVKSS-JQWIXIFHSA-N 2 2 278.356 -0.732 20 0 CBADLP Cn1c(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc(=O)n(C)c1=O ZINC000261691763 352394539 /nfs/dbraw/zinc/39/45/39/352394539.db2.gz HPDQAWXZKRVKSS-JQWIXIFHSA-N 2 2 278.356 -0.732 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261763800 352394821 /nfs/dbraw/zinc/39/48/21/352394821.db2.gz VFZDBXWWGPHQAZ-STQMWFEESA-N 2 2 296.415 -0.488 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261763800 352394822 /nfs/dbraw/zinc/39/48/22/352394822.db2.gz VFZDBXWWGPHQAZ-STQMWFEESA-N 2 2 296.415 -0.488 20 0 CBADLP Cn1c(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc(=O)n(C)c1=O ZINC000261754302 352394948 /nfs/dbraw/zinc/39/49/48/352394948.db2.gz NDEQRCBLCOPYPA-MNOVXSKESA-N 2 2 278.356 -0.875 20 0 CBADLP Cn1c(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc(=O)n(C)c1=O ZINC000261754302 352394952 /nfs/dbraw/zinc/39/49/52/352394952.db2.gz NDEQRCBLCOPYPA-MNOVXSKESA-N 2 2 278.356 -0.875 20 0 CBADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)CC1 ZINC000261788640 352396707 /nfs/dbraw/zinc/39/67/07/352396707.db2.gz NKLMFSPXPRDDMP-KGLIPLIRSA-N 3 2 298.431 -0.365 20 0 CBADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)[C@@H](C)[C@H](C)[NH3+])CC1 ZINC000248974753 352358012 /nfs/dbraw/zinc/35/80/12/352358012.db2.gz DTEXLBNBYJECRK-SDDRHHMPSA-N 2 2 296.415 -0.219 20 0 CBADLP C[C@@H](C(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1)[C@H](C)[NH3+] ZINC000248974752 352358872 /nfs/dbraw/zinc/35/88/72/352358872.db2.gz DTEXLBNBYJECRK-GRYCIOLGSA-N 2 2 296.415 -0.219 20 0 CBADLP CCNC(=O)C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000262150216 352408509 /nfs/dbraw/zinc/40/85/09/352408509.db2.gz RDNZUOHABLBVNH-LLVKDONJSA-N 2 2 268.361 -0.981 20 0 CBADLP CCNC(=O)C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000262150216 352408512 /nfs/dbraw/zinc/40/85/12/352408512.db2.gz RDNZUOHABLBVNH-LLVKDONJSA-N 2 2 268.361 -0.981 20 0 CBADLP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)C2C[NH2+]C2)CC1 ZINC000262187869 352409348 /nfs/dbraw/zinc/40/93/48/352409348.db2.gz FOBCKSSDRNZXNA-UHFFFAOYSA-N 2 2 291.399 -0.099 20 0 CBADLP C[N@H+](CCC(=O)N1CC[NH2+]CC1)Cc1ccon1 ZINC000262258870 352412334 /nfs/dbraw/zinc/41/23/34/352412334.db2.gz XJHYHAPXXCDYDH-UHFFFAOYSA-N 2 2 252.318 -0.072 20 0 CBADLP C[N@@H+](CCC(=O)N1CC[NH2+]CC1)Cc1ccon1 ZINC000262258870 352412335 /nfs/dbraw/zinc/41/23/35/352412335.db2.gz XJHYHAPXXCDYDH-UHFFFAOYSA-N 2 2 252.318 -0.072 20 0 CBADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)C2C[NH2+]C2)CC1 ZINC000262249308 352412474 /nfs/dbraw/zinc/41/24/74/352412474.db2.gz PHUKOSSVQGWSDB-UHFFFAOYSA-N 2 2 282.388 -0.782 20 0 CBADLP O=C(C1C[NH2+]C1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000262275624 352413635 /nfs/dbraw/zinc/41/36/35/352413635.db2.gz UUQVDTCJLLEZIB-LBPRGKRZSA-N 2 2 253.346 -0.471 20 0 CBADLP C[C@@H](C[NH3+])C(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000262374636 352419184 /nfs/dbraw/zinc/41/91/84/352419184.db2.gz MDLWBZPUVJUXLA-NSHDSACASA-N 2 2 265.361 -0.341 20 0 CBADLP C[C@H](C[NH3+])C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000262412838 352421123 /nfs/dbraw/zinc/42/11/23/352421123.db2.gz QSCBSPQJFYSKQS-YPMHNXCESA-N 2 2 287.429 -0.095 20 0 CBADLP C[NH2+]CCC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000262438742 352421233 /nfs/dbraw/zinc/42/12/33/352421233.db2.gz URUQJRKTAYZXDZ-UHFFFAOYSA-N 2 2 282.388 -0.638 20 0 CBADLP C[C@H](C[NH3+])C(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000262497670 352424335 /nfs/dbraw/zinc/42/43/35/352424335.db2.gz IJGZMTITYRTIMA-MNOVXSKESA-N 2 2 282.388 -0.608 20 0 CBADLP COCC[NH+]1CCN(C(=O)C[C@@H]2COCC[NH2+]2)CC1 ZINC000262565791 352426535 /nfs/dbraw/zinc/42/65/35/352426535.db2.gz RQAQZGDYGBDTHI-GFCCVEGCSA-N 2 2 271.361 -0.845 20 0 CBADLP CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1COCC[NH2+]1 ZINC000262663110 352430700 /nfs/dbraw/zinc/43/07/00/352430700.db2.gz ZRIQKLQMGNDLGQ-NWDGAFQWSA-N 2 2 255.362 -0.035 20 0 CBADLP CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1COCC[NH2+]1 ZINC000262663110 352430701 /nfs/dbraw/zinc/43/07/01/352430701.db2.gz ZRIQKLQMGNDLGQ-NWDGAFQWSA-N 2 2 255.362 -0.035 20 0 CBADLP C[C@H]1CN(C(=O)C(C)(C)[NH3+])C[C@H]1[NH+]1CCOCC1 ZINC000262661449 352430724 /nfs/dbraw/zinc/43/07/24/352430724.db2.gz YFHYPHBNEZNULH-WDEREUQCSA-N 2 2 255.362 -0.097 20 0 CBADLP CC[N@@H+]1CCc2nc(NC(=O)CNC(=O)C[NH3+])sc2C1 ZINC000262667127 352430732 /nfs/dbraw/zinc/43/07/32/352430732.db2.gz PFNMFZXIFZRHSH-UHFFFAOYSA-N 2 2 297.384 -0.466 20 0 CBADLP CC[N@H+]1CCc2nc(NC(=O)CNC(=O)C[NH3+])sc2C1 ZINC000262667127 352430733 /nfs/dbraw/zinc/43/07/33/352430733.db2.gz PFNMFZXIFZRHSH-UHFFFAOYSA-N 2 2 297.384 -0.466 20 0 CBADLP CO[C@H](C[NH3+])CC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000262930958 352436542 /nfs/dbraw/zinc/43/65/42/352436542.db2.gz SRVUVLOGMNNTHB-SRVKXCTJSA-N 2 2 273.377 -0.424 20 0 CBADLP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263183166 352438560 /nfs/dbraw/zinc/43/85/60/352438560.db2.gz GYQRBLTTYKKDSL-UWVGGRQHSA-N 2 2 277.315 -0.180 20 0 CBADLP COCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263183166 352438565 /nfs/dbraw/zinc/43/85/65/352438565.db2.gz GYQRBLTTYKKDSL-UWVGGRQHSA-N 2 2 277.315 -0.180 20 0 CBADLP O=C(CC[N@H+](C1CC1)[C@H]1CC[NH2+]C1)N1CC[NH2+]CC1 ZINC000261967838 352401716 /nfs/dbraw/zinc/40/17/16/352401716.db2.gz BDQGOURCNKBTNJ-ZDUSSCGKSA-N 3 2 266.389 -0.365 20 0 CBADLP O=C(CC[N@@H+](C1CC1)[C@H]1CC[NH2+]C1)N1CC[NH2+]CC1 ZINC000261967838 352401720 /nfs/dbraw/zinc/40/17/20/352401720.db2.gz BDQGOURCNKBTNJ-ZDUSSCGKSA-N 3 2 266.389 -0.365 20 0 CBADLP C[C@]1(C[N@@H+]2CC[C@@H](NS(C)(=O)=O)C2)CC[NH2+]C1 ZINC000262059001 352405465 /nfs/dbraw/zinc/40/54/65/352405465.db2.gz QXPWKNISFGSZRE-MNOVXSKESA-N 2 2 261.391 -0.391 20 0 CBADLP C[C@]1(C[N@H+]2CC[C@@H](NS(C)(=O)=O)C2)CC[NH2+]C1 ZINC000262059001 352405467 /nfs/dbraw/zinc/40/54/67/352405467.db2.gz QXPWKNISFGSZRE-MNOVXSKESA-N 2 2 261.391 -0.391 20 0 CBADLP [NH3+]C[C@H]1CCCC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000262097021 352407314 /nfs/dbraw/zinc/40/73/14/352407314.db2.gz LTESEGWOJCADSS-GFCCVEGCSA-N 3 2 254.378 -0.379 20 0 CBADLP [NH3+]C[C@H]1CCCC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000262097021 352407317 /nfs/dbraw/zinc/40/73/17/352407317.db2.gz LTESEGWOJCADSS-GFCCVEGCSA-N 3 2 254.378 -0.379 20 0 CBADLP Cn1cc[nH+]c1N1CC[NH+](CCCC(=O)NC(N)=O)CC1 ZINC000270515706 352493857 /nfs/dbraw/zinc/49/38/57/352493857.db2.gz KWDQBKVEQXYGFM-UHFFFAOYSA-N 2 2 294.359 -0.483 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000269687396 352479161 /nfs/dbraw/zinc/47/91/61/352479161.db2.gz IDLHNZCRPWUIFF-YPMHNXCESA-N 2 2 283.376 -0.117 20 0 CBADLP COC(=O)CC[C@@H]([NH3+])C(=O)NCCNc1cccc[nH+]1 ZINC000289685874 352666491 /nfs/dbraw/zinc/66/64/91/352666491.db2.gz DTJBQSJTJYMXOF-SNVBAGLBSA-N 2 2 280.328 -0.110 20 0 CBADLP CO[C@@H](C[NH3+])C(=O)NCCCNc1cccc[nH+]1 ZINC000289872543 352669600 /nfs/dbraw/zinc/66/96/00/352669600.db2.gz HDXUBZDANCENBY-JTQLQIEISA-N 2 2 252.318 -0.027 20 0 CBADLP CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)NCCn1cc[nH+]c1 ZINC000283276345 352622427 /nfs/dbraw/zinc/62/24/27/352622427.db2.gz GHUJBFNGBSWLLE-LBPRGKRZSA-N 2 2 295.387 -0.154 20 0 CBADLP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NCCn2cc[nH+]c2)C1 ZINC000283914973 352632155 /nfs/dbraw/zinc/63/21/55/352632155.db2.gz LKXRSKKCZFHDTG-LBPRGKRZSA-N 2 2 293.371 -0.448 20 0 CBADLP CNS(=O)(=O)NC1CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000291055505 352681568 /nfs/dbraw/zinc/68/15/68/352681568.db2.gz CLOVJCNIBHKMKI-UHFFFAOYSA-N 2 2 287.389 -0.599 20 0 CBADLP O=C(CCn1cc[nH+]c1)NCC[NH+]1CCOCC1 ZINC000299645908 352727080 /nfs/dbraw/zinc/72/70/80/352727080.db2.gz WEAIMEGRKUXCJP-UHFFFAOYSA-N 2 2 252.318 -0.278 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H](O)C2)CC1 ZINC000304092061 352745048 /nfs/dbraw/zinc/74/50/48/352745048.db2.gz CFJKCHDYTBYUBM-RYUDHWBXSA-N 2 2 255.362 -0.394 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H](O)C2)CC1 ZINC000304092061 352745050 /nfs/dbraw/zinc/74/50/50/352745050.db2.gz CFJKCHDYTBYUBM-RYUDHWBXSA-N 2 2 255.362 -0.394 20 0 CBADLP C[C@@H](CO)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000305089834 352747721 /nfs/dbraw/zinc/74/77/21/352747721.db2.gz WGHRUSJIHHETMB-NSHDSACASA-N 2 2 272.393 -0.308 20 0 CBADLP CN(C)S(=O)(=O)CC[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000310129866 352758370 /nfs/dbraw/zinc/75/83/70/352758370.db2.gz HHKUWAHTXNXQSI-LLVKDONJSA-N 2 2 261.391 -0.437 20 0 CBADLP CN(C)S(=O)(=O)CC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000310129866 352758373 /nfs/dbraw/zinc/75/83/73/352758373.db2.gz HHKUWAHTXNXQSI-LLVKDONJSA-N 2 2 261.391 -0.437 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](O)C1(C)C ZINC000310860247 352763201 /nfs/dbraw/zinc/76/32/01/352763201.db2.gz RKLHDXMBCNNVDM-VXGBXAGGSA-N 2 2 260.378 -0.229 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](O)C1(C)C ZINC000310860247 352763205 /nfs/dbraw/zinc/76/32/05/352763205.db2.gz RKLHDXMBCNNVDM-VXGBXAGGSA-N 2 2 260.378 -0.229 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](O)C1(C)C ZINC000310860247 352763209 /nfs/dbraw/zinc/76/32/09/352763209.db2.gz RKLHDXMBCNNVDM-VXGBXAGGSA-N 2 2 260.378 -0.229 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](O)C1(C)C ZINC000310860247 352763211 /nfs/dbraw/zinc/76/32/11/352763211.db2.gz RKLHDXMBCNNVDM-VXGBXAGGSA-N 2 2 260.378 -0.229 20 0 CBADLP C[N@@H+](CC(=O)NCCCc1ccccc1)C[C@@H](O)C[NH3+] ZINC000313514137 352776864 /nfs/dbraw/zinc/77/68/64/352776864.db2.gz KQCSIQJXJBJGAI-AWEZNQCLSA-N 2 2 279.384 -0.013 20 0 CBADLP C[N@H+](CC(=O)NCCCc1ccccc1)C[C@@H](O)C[NH3+] ZINC000313514137 352776866 /nfs/dbraw/zinc/77/68/66/352776866.db2.gz KQCSIQJXJBJGAI-AWEZNQCLSA-N 2 2 279.384 -0.013 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]([NH3+])CC(F)F ZINC000310926872 352764000 /nfs/dbraw/zinc/76/40/00/352764000.db2.gz SFRDQKIKZCAXOG-DTWKUNHWSA-N 2 2 265.304 -0.194 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000313168523 352777062 /nfs/dbraw/zinc/77/70/62/352777062.db2.gz UHRYWBKRYAJTCD-AVGNSLFASA-N 2 2 287.404 -0.489 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000313168523 352777064 /nfs/dbraw/zinc/77/70/64/352777064.db2.gz UHRYWBKRYAJTCD-AVGNSLFASA-N 2 2 287.404 -0.489 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000313168523 352777065 /nfs/dbraw/zinc/77/70/65/352777065.db2.gz UHRYWBKRYAJTCD-AVGNSLFASA-N 2 2 287.404 -0.489 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000313168523 352777069 /nfs/dbraw/zinc/77/70/69/352777069.db2.gz UHRYWBKRYAJTCD-AVGNSLFASA-N 2 2 287.404 -0.489 20 0 CBADLP O=C(C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1)NC[C@H]1CCCO1 ZINC000311832495 352771260 /nfs/dbraw/zinc/77/12/60/352771260.db2.gz LTYROYXDYNIDCF-OCCSQVGLSA-N 2 2 267.373 -0.033 20 0 CBADLP O=C(C[N@H+]1CC[C@]2(CC[NH2+]C2)C1)NC[C@H]1CCCO1 ZINC000311832495 352771262 /nfs/dbraw/zinc/77/12/62/352771262.db2.gz LTYROYXDYNIDCF-OCCSQVGLSA-N 2 2 267.373 -0.033 20 0 CBADLP CN1C(=O)CC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)C1=O ZINC000311919236 352771996 /nfs/dbraw/zinc/77/19/96/352771996.db2.gz DOXIGDHBPIXGHJ-MNOVXSKESA-N 2 2 269.345 -0.822 20 0 CBADLP CN1C(=O)CC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)C1=O ZINC000311919236 352771998 /nfs/dbraw/zinc/77/19/98/352771998.db2.gz DOXIGDHBPIXGHJ-MNOVXSKESA-N 2 2 269.345 -0.822 20 0 CBADLP CN1C(=O)CC[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)C1=O ZINC000311919235 352772127 /nfs/dbraw/zinc/77/21/27/352772127.db2.gz DOXIGDHBPIXGHJ-GHMZBOCLSA-N 2 2 269.345 -0.822 20 0 CBADLP CN1C(=O)CC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)C1=O ZINC000311919235 352772132 /nfs/dbraw/zinc/77/21/32/352772132.db2.gz DOXIGDHBPIXGHJ-GHMZBOCLSA-N 2 2 269.345 -0.822 20 0 CBADLP C[C@H](O)C[NH+]1CCN(CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000330434253 352823738 /nfs/dbraw/zinc/82/37/38/352823738.db2.gz LNKSGDJIZBZOPG-AWEZNQCLSA-N 2 2 298.431 -0.851 20 0 CBADLP C[C@H](O)CN1CC[NH+](CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000330434253 352823742 /nfs/dbraw/zinc/82/37/42/352823742.db2.gz LNKSGDJIZBZOPG-AWEZNQCLSA-N 2 2 298.431 -0.851 20 0 CBADLP CC[C@H](C(=O)N1CC[NH+](CCn2cncn2)CC1)[NH+](C)C ZINC000330448769 352826644 /nfs/dbraw/zinc/82/66/44/352826644.db2.gz ZEWLMFOXJKCSQI-CYBMUJFWSA-N 2 2 294.403 -0.238 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)[N@H+](C)C1 ZINC000330557981 352847819 /nfs/dbraw/zinc/84/78/19/352847819.db2.gz WVKZPDCQPUTOGG-CRWXNKLISA-N 2 2 299.415 -0.069 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)[N@@H+](C)C1 ZINC000330557981 352847821 /nfs/dbraw/zinc/84/78/21/352847821.db2.gz WVKZPDCQPUTOGG-CRWXNKLISA-N 2 2 299.415 -0.069 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CCC[C@@H]2CCO)CC1 ZINC000330556047 352848042 /nfs/dbraw/zinc/84/80/42/352848042.db2.gz FNEUKFVGLCRZIW-OLZOCXBDSA-N 2 2 269.389 -0.099 20 0 CBADLP [NH3+]CC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000347483180 303367216 /nfs/dbraw/zinc/36/72/16/303367216.db2.gz UYVDJJHHKLAJNF-NSHDSACASA-N 2 2 259.375 -0.731 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N(C)C1CC([NH3+])C1 ZINC000331385080 352911065 /nfs/dbraw/zinc/91/10/65/352911065.db2.gz AZNZTVGQXVZSMP-UNXYVOJBSA-N 2 2 270.377 -0.162 20 0 CBADLP COC[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)[C@@H]1CCCO1 ZINC000331252617 352896663 /nfs/dbraw/zinc/89/66/63/352896663.db2.gz UPFRJSKQQNAQNQ-STQMWFEESA-N 2 2 285.388 -0.456 20 0 CBADLP C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000331267983 352899046 /nfs/dbraw/zinc/89/90/46/352899046.db2.gz DFYHOECWZXZIKN-UONOGXRCSA-N 2 2 299.415 -0.520 20 0 CBADLP CC1(C)CN(C(=O)C(=O)N2CCn3cc[nH+]c3C2)CC[NH2+]1 ZINC000332626455 352970111 /nfs/dbraw/zinc/97/01/11/352970111.db2.gz CVUJEISHLXYWLS-UHFFFAOYSA-N 2 2 291.355 -0.564 20 0 CBADLP CN(C)c1[nH+]cc(C[N@@H+]2C[C@@H](O)C[C@H]2CO)n1C ZINC000332721277 352980118 /nfs/dbraw/zinc/98/01/18/352980118.db2.gz RHGABVXSTAVVPE-ONGXEEELSA-N 2 2 254.334 -0.586 20 0 CBADLP CN(C)c1[nH+]cc(C[N@H+]2C[C@@H](O)C[C@H]2CO)n1C ZINC000332721277 352980121 /nfs/dbraw/zinc/98/01/21/352980121.db2.gz RHGABVXSTAVVPE-ONGXEEELSA-N 2 2 254.334 -0.586 20 0 CBADLP C[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000332795642 352986964 /nfs/dbraw/zinc/98/69/64/352986964.db2.gz DNKPMFWZTYDOLS-NEPJUHHUSA-N 2 2 270.377 -0.290 20 0 CBADLP C[N@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000332795642 352986967 /nfs/dbraw/zinc/98/69/67/352986967.db2.gz DNKPMFWZTYDOLS-NEPJUHHUSA-N 2 2 270.377 -0.290 20 0 CBADLP C[NH+]1CCC[C@@H]1CNC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000332795642 352986968 /nfs/dbraw/zinc/98/69/68/352986968.db2.gz DNKPMFWZTYDOLS-NEPJUHHUSA-N 2 2 270.377 -0.290 20 0 CBADLP C[NH+]1CCC[C@@H]1CNC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000332795642 352986971 /nfs/dbraw/zinc/98/69/71/352986971.db2.gz DNKPMFWZTYDOLS-NEPJUHHUSA-N 2 2 270.377 -0.290 20 0 CBADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000332543549 352965077 /nfs/dbraw/zinc/96/50/77/352965077.db2.gz AAARVJMXEFSXDA-MGPQQGTHSA-N 2 2 299.415 -0.332 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000332611651 352968997 /nfs/dbraw/zinc/96/89/97/352968997.db2.gz LSLFSXFLSHPCBJ-CHWSQXEVSA-N 2 2 294.399 -0.639 20 0 CBADLP CC[N@@H+]1CC[C@@H](NC(=O)NC[C@H]2C[NH+](C)CCO2)C1 ZINC000334050633 353019006 /nfs/dbraw/zinc/01/90/06/353019006.db2.gz RPEUUEOGSXGFBY-NEPJUHHUSA-N 2 2 270.377 -0.290 20 0 CBADLP CC[N@H+]1CC[C@@H](NC(=O)NC[C@H]2C[NH+](C)CCO2)C1 ZINC000334050633 353019010 /nfs/dbraw/zinc/01/90/10/353019010.db2.gz RPEUUEOGSXGFBY-NEPJUHHUSA-N 2 2 270.377 -0.290 20 0 CBADLP CC[NH+]1CC[C@@H](NC(=O)NC[C@H]2C[N@H+](C)CCO2)C1 ZINC000334050633 353019012 /nfs/dbraw/zinc/01/90/12/353019012.db2.gz RPEUUEOGSXGFBY-NEPJUHHUSA-N 2 2 270.377 -0.290 20 0 CBADLP CC[NH+]1CC[C@@H](NC(=O)NC[C@H]2C[N@@H+](C)CCO2)C1 ZINC000334050633 353019014 /nfs/dbraw/zinc/01/90/14/353019014.db2.gz RPEUUEOGSXGFBY-NEPJUHHUSA-N 2 2 270.377 -0.290 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000332997324 352995139 /nfs/dbraw/zinc/99/51/39/352995139.db2.gz FGEISWZJHHYSEG-WDEREUQCSA-N 2 2 264.329 -0.355 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000332997324 352995140 /nfs/dbraw/zinc/99/51/40/352995140.db2.gz FGEISWZJHHYSEG-WDEREUQCSA-N 2 2 264.329 -0.355 20 0 CBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1CCC[N@@H+]1C ZINC000333005412 352995932 /nfs/dbraw/zinc/99/59/32/352995932.db2.gz DUCZWJTZZZLFNG-CHWSQXEVSA-N 2 2 285.388 -0.768 20 0 CBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1CCC[N@H+]1C ZINC000333005412 352995935 /nfs/dbraw/zinc/99/59/35/352995935.db2.gz DUCZWJTZZZLFNG-CHWSQXEVSA-N 2 2 285.388 -0.768 20 0 CBADLP CN1CCN(c2cc(N[C@@H]3CCC[NH2+]C3)nc[nH+]2)CC1=O ZINC000333517136 353002726 /nfs/dbraw/zinc/00/27/26/353002726.db2.gz JXQQLGRTMOJUQX-LLVKDONJSA-N 2 2 290.371 -0.081 20 0 CBADLP O=C(NCC1([NH+]2CCOCC2)CC1)N[C@@H]1CCC[NH2+]C1 ZINC000333818520 353011756 /nfs/dbraw/zinc/01/17/56/353011756.db2.gz QSGRJFJVDAMYCV-GFCCVEGCSA-N 2 2 282.388 -0.098 20 0 CBADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N(C)CC[NH+]1CCOCC1 ZINC000333876070 353012429 /nfs/dbraw/zinc/01/24/29/353012429.db2.gz VIQFXKJABZPEDY-CHWSQXEVSA-N 2 2 284.404 -0.042 20 0 CBADLP O=C(NC[C@H]1CCC[NH2+]1)NCC1([NH+]2CCOCC2)CC1 ZINC000333857750 353012941 /nfs/dbraw/zinc/01/29/41/353012941.db2.gz YQGRSTMWZPMGOO-GFCCVEGCSA-N 2 2 282.388 -0.098 20 0 CBADLP C[N@H+](C[C@H](O)C[NH+]1CCC(OCCO)CC1)C1CC1 ZINC000336811562 353058558 /nfs/dbraw/zinc/05/85/58/353058558.db2.gz NNBBYNQEEJVWBH-ZDUSSCGKSA-N 2 2 272.389 -0.085 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH+]1CCC(OCCO)CC1)C1CC1 ZINC000336811562 353058560 /nfs/dbraw/zinc/05/85/60/353058560.db2.gz NNBBYNQEEJVWBH-ZDUSSCGKSA-N 2 2 272.389 -0.085 20 0 CBADLP C[N@H+](C[C@H](O)C[NH+]1CCC[C@@H](OCCO)C1)C1CC1 ZINC000336819421 353060383 /nfs/dbraw/zinc/06/03/83/353060383.db2.gz ZREUXODDGBJYSY-UONOGXRCSA-N 2 2 272.389 -0.085 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@@H](OCCO)C1)C1CC1 ZINC000336819421 353060384 /nfs/dbraw/zinc/06/03/84/353060384.db2.gz ZREUXODDGBJYSY-UONOGXRCSA-N 2 2 272.389 -0.085 20 0 CBADLP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@@H](OCCO)C1)C1CC1 ZINC000336819421 353060385 /nfs/dbraw/zinc/06/03/85/353060385.db2.gz ZREUXODDGBJYSY-UONOGXRCSA-N 2 2 272.389 -0.085 20 0 CBADLP C[NH+](C[C@H](O)C[N@H+]1CCC[C@@H](OCCO)C1)C1CC1 ZINC000336819421 353060387 /nfs/dbraw/zinc/06/03/87/353060387.db2.gz ZREUXODDGBJYSY-UONOGXRCSA-N 2 2 272.389 -0.085 20 0 CBADLP Cn1ccnc(N2CC[NH+](CCn3cc[nH+]c3)CC2)c1=O ZINC000336840623 353063193 /nfs/dbraw/zinc/06/31/93/353063193.db2.gz XJUOOBYSYIQXEB-UHFFFAOYSA-N 2 2 288.355 -0.201 20 0 CBADLP C[NH+](C[C@H](O)C[N@@H+](C)CC(C)(CO)CO)C1CC1 ZINC000336792943 353053143 /nfs/dbraw/zinc/05/31/43/353053143.db2.gz UVBCOWUOLFZFGU-GFCCVEGCSA-N 2 2 260.378 -0.636 20 0 CBADLP C[NH+](C[C@H](O)C[N@H+](C)CC(C)(CO)CO)C1CC1 ZINC000336792943 353053146 /nfs/dbraw/zinc/05/31/46/353053146.db2.gz UVBCOWUOLFZFGU-GFCCVEGCSA-N 2 2 260.378 -0.636 20 0 CBADLP C[NH+](C[C@@H](O)C[N@H+](C)C1CC1)CC(C)(CO)CO ZINC000336792943 353053148 /nfs/dbraw/zinc/05/31/48/353053148.db2.gz UVBCOWUOLFZFGU-GFCCVEGCSA-N 2 2 260.378 -0.636 20 0 CBADLP C[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)CC(C)(CO)CO ZINC000336792943 353053153 /nfs/dbraw/zinc/05/31/53/353053153.db2.gz UVBCOWUOLFZFGU-GFCCVEGCSA-N 2 2 260.378 -0.636 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@](F)(CO)C2)CC1 ZINC000338594650 353107346 /nfs/dbraw/zinc/10/73/46/353107346.db2.gz QDFSECNCAKEINU-LBPRGKRZSA-N 2 2 259.325 -0.833 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@](F)(CO)C2)CC1 ZINC000338594650 353107348 /nfs/dbraw/zinc/10/73/48/353107348.db2.gz QDFSECNCAKEINU-LBPRGKRZSA-N 2 2 259.325 -0.833 20 0 CBADLP C[N@@H+]1CC[C@](O)(CNC(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC000338185330 353088476 /nfs/dbraw/zinc/08/84/76/353088476.db2.gz GAACLPFAFJDRSM-AWEZNQCLSA-N 2 2 285.388 -0.720 20 0 CBADLP C[N@H+]1CC[C@](O)(CNC(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC000338185330 353088480 /nfs/dbraw/zinc/08/84/80/353088480.db2.gz GAACLPFAFJDRSM-AWEZNQCLSA-N 2 2 285.388 -0.720 20 0 CBADLP C[NH+]1CCC(O)(CNC(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC000338225885 353090033 /nfs/dbraw/zinc/09/00/33/353090033.db2.gz OPSZUGIMHHEHNY-UHFFFAOYSA-N 2 2 299.415 -0.330 20 0 CBADLP C[C@H](CC[NH+](C)C)NC(=O)NCC[NH+]1CCOCC1 ZINC000338230727 353090281 /nfs/dbraw/zinc/09/02/81/353090281.db2.gz JJAHZCWEUNHEED-GFCCVEGCSA-N 2 2 272.393 -0.042 20 0 CBADLP CN(C(=O)C[NH+](C)C)[C@H]1CCCN(C(=O)C[NH+](C)C)CC1 ZINC000152752519 188041206 /nfs/dbraw/zinc/04/12/06/188041206.db2.gz ZEBGAKGNQXNNNP-ZDUSSCGKSA-N 2 2 298.431 -0.051 20 0 CBADLP COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C[N@H+](C)C(C)C ZINC000340590277 353178513 /nfs/dbraw/zinc/17/85/13/353178513.db2.gz PCUOFEUZDRRDPB-LLVKDONJSA-N 2 2 282.344 -0.050 20 0 CBADLP COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C[N@@H+](C)C(C)C ZINC000340590277 353178517 /nfs/dbraw/zinc/17/85/17/353178517.db2.gz PCUOFEUZDRRDPB-LLVKDONJSA-N 2 2 282.344 -0.050 20 0 CBADLP COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C[N@H+](C)C(C)C ZINC000340590277 353178521 /nfs/dbraw/zinc/17/85/21/353178521.db2.gz PCUOFEUZDRRDPB-LLVKDONJSA-N 2 2 282.344 -0.050 20 0 CBADLP COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C[N@@H+](C)C(C)C ZINC000340590277 353178525 /nfs/dbraw/zinc/17/85/25/353178525.db2.gz PCUOFEUZDRRDPB-LLVKDONJSA-N 2 2 282.344 -0.050 20 0 CBADLP CC[NH+](CC)CC(=O)N1CC[NH+]([C@H]2COC[C@H]2O)CC1 ZINC000340286740 353162093 /nfs/dbraw/zinc/16/20/93/353162093.db2.gz UMEAIYRYZAINAP-QWHCGFSZSA-N 2 2 285.388 -0.768 20 0 CBADLP O[C@@H]1COC[C@@H]1[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000340293177 353162853 /nfs/dbraw/zinc/16/28/53/353162853.db2.gz XQCARWWCGDIOGV-RWMBFGLXSA-N 2 2 256.346 -0.600 20 0 CBADLP O[C@@H]1COC[C@@H]1[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000340293177 353162855 /nfs/dbraw/zinc/16/28/55/353162855.db2.gz XQCARWWCGDIOGV-RWMBFGLXSA-N 2 2 256.346 -0.600 20 0 CBADLP CC[N@H+]1C[C@H]([NH2+]CCn2cc(C(=O)OC)nn2)[C@@H](C)C1 ZINC000341269554 353207375 /nfs/dbraw/zinc/20/73/75/353207375.db2.gz LPUBRQKWUFCXMR-QWRGUYRKSA-N 2 2 281.360 -0.006 20 0 CBADLP CC[N@@H+]1C[C@H]([NH2+]CCn2cc(C(=O)OC)nn2)[C@@H](C)C1 ZINC000341269554 353207377 /nfs/dbraw/zinc/20/73/77/353207377.db2.gz LPUBRQKWUFCXMR-QWRGUYRKSA-N 2 2 281.360 -0.006 20 0 CBADLP CN1CC[N@H+](C)[C@@H](CNC(=O)NCC[NH+](C)C)C1 ZINC000342665307 353226540 /nfs/dbraw/zinc/22/65/40/353226540.db2.gz LSAVOVJGGDLSPC-NSHDSACASA-N 2 2 257.382 -0.907 20 0 CBADLP CN1CC[N@@H+](C)[C@@H](CNC(=O)NCC[NH+](C)C)C1 ZINC000342665307 353226542 /nfs/dbraw/zinc/22/65/42/353226542.db2.gz LSAVOVJGGDLSPC-NSHDSACASA-N 2 2 257.382 -0.907 20 0 CBADLP COC(=O)CC[C@H]([NH3+])C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000342700700 353228104 /nfs/dbraw/zinc/22/81/04/353228104.db2.gz YDENOZCDUXFCLG-MNOVXSKESA-N 2 2 287.360 -0.896 20 0 CBADLP COC(=O)CC[C@H]([NH3+])C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000342700700 353228108 /nfs/dbraw/zinc/22/81/08/353228108.db2.gz YDENOZCDUXFCLG-MNOVXSKESA-N 2 2 287.360 -0.896 20 0 CBADLP CC1CC[NH+](CC(=O)NCCC[N@@H+]2CCNC(=O)C2)CC1 ZINC000343022001 353247757 /nfs/dbraw/zinc/24/77/57/353247757.db2.gz CZQPOPQAAMOFRJ-UHFFFAOYSA-N 2 2 296.415 -0.344 20 0 CBADLP CC1CC[NH+](CC(=O)NCCC[N@H+]2CCNC(=O)C2)CC1 ZINC000343022001 353247759 /nfs/dbraw/zinc/24/77/59/353247759.db2.gz CZQPOPQAAMOFRJ-UHFFFAOYSA-N 2 2 296.415 -0.344 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NC[C@H]1CC[NH+](C)C1 ZINC000343130144 353255317 /nfs/dbraw/zinc/25/53/17/353255317.db2.gz JYUVBCIBVBRLLU-GFCCVEGCSA-N 2 2 284.404 -0.489 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NC[C@H]1CC[NH+](C)C1 ZINC000343130144 353255319 /nfs/dbraw/zinc/25/53/19/353255319.db2.gz JYUVBCIBVBRLLU-GFCCVEGCSA-N 2 2 284.404 -0.489 20 0 CBADLP CC(C)NC(=O)C[NH+](C)CC(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000343130144 353255322 /nfs/dbraw/zinc/25/53/22/353255322.db2.gz JYUVBCIBVBRLLU-GFCCVEGCSA-N 2 2 284.404 -0.489 20 0 CBADLP CC(C)NC(=O)C[NH+](C)CC(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000343130144 353255326 /nfs/dbraw/zinc/25/53/26/353255326.db2.gz JYUVBCIBVBRLLU-GFCCVEGCSA-N 2 2 284.404 -0.489 20 0 CBADLP [NH3+]CC(F)(F)CNC(=O)[C@@H]1CC[NH2+]CC1(F)F ZINC000343530784 353277341 /nfs/dbraw/zinc/27/73/41/353277341.db2.gz OZXOVMWUGLIXFC-LURJTMIESA-N 2 2 257.231 -0.059 20 0 CBADLP Cn1cc[nH+]c1CNC(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000343315700 353267217 /nfs/dbraw/zinc/26/72/17/353267217.db2.gz YQRWAUWMAZQKQS-UHFFFAOYSA-N 2 2 279.344 -0.753 20 0 CBADLP Cn1cc[nH+]c1CNC(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000343315700 353267220 /nfs/dbraw/zinc/26/72/20/353267220.db2.gz YQRWAUWMAZQKQS-UHFFFAOYSA-N 2 2 279.344 -0.753 20 0 CBADLP C[C@@H]1C[N@H+](C)CCN1C(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000343766207 353290136 /nfs/dbraw/zinc/29/01/36/353290136.db2.gz DIYZYFVRWKICIT-ODWCKFRGSA-N 2 2 279.384 -0.036 20 0 CBADLP C[C@@H]1C[N@@H+](C)CCN1C(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000343766207 353290138 /nfs/dbraw/zinc/29/01/38/353290138.db2.gz DIYZYFVRWKICIT-ODWCKFRGSA-N 2 2 279.384 -0.036 20 0 CBADLP CC[NH+]1CCN(C(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)CC1 ZINC000343770938 353290912 /nfs/dbraw/zinc/29/09/12/353290912.db2.gz NHNFSXWHNVZHSM-YHWZYXNKSA-N 2 2 279.384 -0.035 20 0 CBADLP CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000156344058 188257122 /nfs/dbraw/zinc/25/71/22/188257122.db2.gz CCGNSZRUZMADJW-LLVKDONJSA-N 2 2 278.312 -0.010 20 0 CBADLP CNC(=O)NC(=O)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000156344058 188257123 /nfs/dbraw/zinc/25/71/23/188257123.db2.gz CCGNSZRUZMADJW-LLVKDONJSA-N 2 2 278.312 -0.010 20 0 CBADLP C[C@@H]1CC[N@H+](C)CCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC000346147214 353363750 /nfs/dbraw/zinc/36/37/50/353363750.db2.gz JDPYQBQGJZCKPA-VXGBXAGGSA-N 2 2 255.362 -0.130 20 0 CBADLP C[C@@H]1CC[N@@H+](C)CCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC000346147214 353363752 /nfs/dbraw/zinc/36/37/52/353363752.db2.gz JDPYQBQGJZCKPA-VXGBXAGGSA-N 2 2 255.362 -0.130 20 0 CBADLP C[C@@H]1CC[NH+](C)CCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000346147214 353363754 /nfs/dbraw/zinc/36/37/54/353363754.db2.gz JDPYQBQGJZCKPA-VXGBXAGGSA-N 2 2 255.362 -0.130 20 0 CBADLP C[C@@H]1CC[NH+](C)CCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000346147214 353363757 /nfs/dbraw/zinc/36/37/57/353363757.db2.gz JDPYQBQGJZCKPA-VXGBXAGGSA-N 2 2 255.362 -0.130 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]([NH3+])CC(F)F ZINC000345688470 353343874 /nfs/dbraw/zinc/34/38/74/353343874.db2.gz IRBWAQNUVKTYDZ-RKDXNWHRSA-N 2 2 265.304 -0.194 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]([NH3+])CC(F)F ZINC000345688470 353343875 /nfs/dbraw/zinc/34/38/75/353343875.db2.gz IRBWAQNUVKTYDZ-RKDXNWHRSA-N 2 2 265.304 -0.194 20 0 CBADLP C[C@@H](CNC(=O)[C@H]([NH3+])CC(F)F)[NH+]1CCOCC1 ZINC000345749339 353346390 /nfs/dbraw/zinc/34/63/90/353346390.db2.gz SUZOKZQCGSXPKI-DTWKUNHWSA-N 2 2 265.304 -0.194 20 0 CBADLP CC[N@H+](CCO)CCN[C@H]1CC[NH+](CCOC)C1 ZINC000346256324 353367872 /nfs/dbraw/zinc/36/78/72/353367872.db2.gz RXFMBMMELMXIBA-ZDUSSCGKSA-N 2 2 259.394 -0.389 20 0 CBADLP CC[N@@H+](CCO)CCN[C@H]1CC[NH+](CCOC)C1 ZINC000346256324 353367874 /nfs/dbraw/zinc/36/78/74/353367874.db2.gz RXFMBMMELMXIBA-ZDUSSCGKSA-N 2 2 259.394 -0.389 20 0 CBADLP CC[NH+](CCO)CCN[C@H]1CC[N@H+](CCOC)C1 ZINC000346256324 353367877 /nfs/dbraw/zinc/36/78/77/353367877.db2.gz RXFMBMMELMXIBA-ZDUSSCGKSA-N 2 2 259.394 -0.389 20 0 CBADLP CC[NH+](CCO)CCN[C@H]1CC[N@@H+](CCOC)C1 ZINC000346256324 353367879 /nfs/dbraw/zinc/36/78/79/353367879.db2.gz RXFMBMMELMXIBA-ZDUSSCGKSA-N 2 2 259.394 -0.389 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC000346556117 353383258 /nfs/dbraw/zinc/38/32/58/353383258.db2.gz XQJYZIBXUBDEEO-NWDGAFQWSA-N 2 2 255.362 -0.083 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CCC[N@H+]1C ZINC000346556117 353383260 /nfs/dbraw/zinc/38/32/60/353383260.db2.gz XQJYZIBXUBDEEO-NWDGAFQWSA-N 2 2 255.362 -0.083 20 0 CBADLP CC[N@H+](C)CCNC(=O)C[NH+](C)CC(=O)NC(C)C ZINC000347942229 353401227 /nfs/dbraw/zinc/40/12/27/353401227.db2.gz HWNWJNRTXXMHPK-UHFFFAOYSA-N 2 2 272.393 -0.489 20 0 CBADLP CC[N@@H+](C)CCNC(=O)C[NH+](C)CC(=O)NC(C)C ZINC000347942229 353401229 /nfs/dbraw/zinc/40/12/29/353401229.db2.gz HWNWJNRTXXMHPK-UHFFFAOYSA-N 2 2 272.393 -0.489 20 0 CBADLP CC[NH+](C)CCNC(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000347942229 353401231 /nfs/dbraw/zinc/40/12/31/353401231.db2.gz HWNWJNRTXXMHPK-UHFFFAOYSA-N 2 2 272.393 -0.489 20 0 CBADLP CC[NH+](C)CCNC(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000347942229 353401233 /nfs/dbraw/zinc/40/12/33/353401233.db2.gz HWNWJNRTXXMHPK-UHFFFAOYSA-N 2 2 272.393 -0.489 20 0 CBADLP C[NH+](C)CC(=O)NC[C@H]1CCC[C@H](NC(=O)C[NH+](C)C)C1 ZINC000348916677 353440839 /nfs/dbraw/zinc/44/08/39/353440839.db2.gz FZNJDJJSKNAXCN-STQMWFEESA-N 2 2 298.431 -0.099 20 0 CBADLP C[N@H+](C[C@H](O)C[NH2+][C@H](CO)[C@@H]1CCCO1)C1CC1 ZINC000352355398 353482034 /nfs/dbraw/zinc/48/20/34/353482034.db2.gz CHIJTGCZTGEWCT-UPJWGTAASA-N 2 2 258.362 -0.429 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH2+][C@H](CO)[C@@H]1CCCO1)C1CC1 ZINC000352355398 353482037 /nfs/dbraw/zinc/48/20/37/353482037.db2.gz CHIJTGCZTGEWCT-UPJWGTAASA-N 2 2 258.362 -0.429 20 0 CBADLP O=C(C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1)NCC1CCC1 ZINC000352503345 353488060 /nfs/dbraw/zinc/48/80/60/353488060.db2.gz FLKVKQZVCGXIPM-CQSZACIVSA-N 2 2 280.416 -0.118 20 0 CBADLP C[C@H](NC(=O)C[N@@H+]1CCCC[C@@H]1CC[NH3+])C(=O)N(C)C ZINC000352503022 353488193 /nfs/dbraw/zinc/48/81/93/353488193.db2.gz BBKBIXFHEYKCPZ-NWDGAFQWSA-N 2 2 284.404 -0.217 20 0 CBADLP C[C@H](NC(=O)C[N@H+]1CCCC[C@@H]1CC[NH3+])C(=O)N(C)C ZINC000352503022 353488196 /nfs/dbraw/zinc/48/81/96/353488196.db2.gz BBKBIXFHEYKCPZ-NWDGAFQWSA-N 2 2 284.404 -0.217 20 0 CBADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)NCCn1cc[nH+]c1 ZINC000349778963 353463025 /nfs/dbraw/zinc/46/30/25/353463025.db2.gz RQRSRJXPJRTVRF-GFCCVEGCSA-N 2 2 280.376 -0.572 20 0 CBADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NCCn1cc[nH+]c1 ZINC000349778963 353463027 /nfs/dbraw/zinc/46/30/27/353463027.db2.gz RQRSRJXPJRTVRF-GFCCVEGCSA-N 2 2 280.376 -0.572 20 0 CBADLP CC(C)C[N@@H+](CC(N)=O)C[C@H](O)C[NH+](C)C1CC1 ZINC000351287998 353474848 /nfs/dbraw/zinc/47/48/48/353474848.db2.gz KSMYAPDAAMRJET-GFCCVEGCSA-N 2 2 257.378 -0.115 20 0 CBADLP CC(C)C[N@H+](CC(N)=O)C[C@H](O)C[NH+](C)C1CC1 ZINC000351287998 353474852 /nfs/dbraw/zinc/47/48/52/353474852.db2.gz KSMYAPDAAMRJET-GFCCVEGCSA-N 2 2 257.378 -0.115 20 0 CBADLP CC(C)C[NH+](CC(N)=O)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351287998 353474858 /nfs/dbraw/zinc/47/48/58/353474858.db2.gz KSMYAPDAAMRJET-GFCCVEGCSA-N 2 2 257.378 -0.115 20 0 CBADLP NC(=O)C[C@@H]([NH3+])C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000353031813 353517850 /nfs/dbraw/zinc/51/78/50/353517850.db2.gz FIOBAJFBNOTDJI-SECBINFHSA-N 2 2 295.730 -0.193 20 0 CBADLP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCC[NH+]1CCOCC1 ZINC000353052479 353519084 /nfs/dbraw/zinc/51/90/84/353519084.db2.gz PRVLLGBKFNSJJL-VXGBXAGGSA-N 2 2 255.362 -0.177 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H](CO)C2CCCC2)CC1 ZINC000352709677 353503275 /nfs/dbraw/zinc/50/32/75/353503275.db2.gz NEYIZAQLZFKYPP-ZDUSSCGKSA-N 2 2 269.389 -0.099 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@H]2COCCO2)CC1 ZINC000354920941 353584231 /nfs/dbraw/zinc/58/42/31/353584231.db2.gz PGMGSPKBPIEVKL-KBPBESRZSA-N 2 2 297.399 -0.360 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@H]2COCCO2)CC1 ZINC000354920941 353584233 /nfs/dbraw/zinc/58/42/33/353584233.db2.gz PGMGSPKBPIEVKL-KBPBESRZSA-N 2 2 297.399 -0.360 20 0 CBADLP C[N@@H+]1CC[C@@](O)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC000358064670 353623547 /nfs/dbraw/zinc/62/35/47/353623547.db2.gz LPNKDWTWKLHFLR-GFCCVEGCSA-N 2 2 252.318 -0.544 20 0 CBADLP C[N@H+]1CC[C@@](O)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC000358064670 353623550 /nfs/dbraw/zinc/62/35/50/353623550.db2.gz LPNKDWTWKLHFLR-GFCCVEGCSA-N 2 2 252.318 -0.544 20 0 CBADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)CC(N)=O)CC1 ZINC000358203471 353632846 /nfs/dbraw/zinc/63/28/46/353632846.db2.gz CRQOBUAJCDALRN-UHFFFAOYSA-N 2 2 270.377 -0.608 20 0 CBADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)CC(N)=O)CC1 ZINC000358203471 353632848 /nfs/dbraw/zinc/63/28/48/353632848.db2.gz CRQOBUAJCDALRN-UHFFFAOYSA-N 2 2 270.377 -0.608 20 0 CBADLP C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359294298 353653204 /nfs/dbraw/zinc/65/32/04/353653204.db2.gz BOIJZNBLBSBQHD-LPEHRKFASA-N 2 2 266.345 -0.486 20 0 CBADLP C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359294298 353653209 /nfs/dbraw/zinc/65/32/09/353653209.db2.gz BOIJZNBLBSBQHD-LPEHRKFASA-N 2 2 266.345 -0.486 20 0 CBADLP CC(C)Cn1cc[nH+]c1CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000357899993 353613092 /nfs/dbraw/zinc/61/30/92/353613092.db2.gz AIOSWUJDIKTHIU-GHMZBOCLSA-N 2 2 266.345 -0.122 20 0 CBADLP CN(C)c1nc(N2CC[NH+]([C@@H]3COC[C@H]3O)CC2)cc[nH+]1 ZINC000361310891 353660918 /nfs/dbraw/zinc/66/09/18/353660918.db2.gz VDUHMRFKLACUOP-VXGBXAGGSA-N 2 2 293.371 -0.576 20 0 CBADLP C[C@H]1COCC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000362338942 353665965 /nfs/dbraw/zinc/66/59/65/353665965.db2.gz DFEKOPHWOLGRJD-GFCCVEGCSA-N 2 2 255.362 -0.271 20 0 CBADLP C[C@H]1COCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000362338942 353665971 /nfs/dbraw/zinc/66/59/71/353665971.db2.gz DFEKOPHWOLGRJD-GFCCVEGCSA-N 2 2 255.362 -0.271 20 0 CBADLP COC(=O)[C@H]1C[C@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)C[NH2+]1 ZINC000366171809 353675215 /nfs/dbraw/zinc/67/52/15/353675215.db2.gz OAVJFWLGBYOARP-DJLDLDEBSA-N 2 2 257.334 -0.621 20 0 CBADLP O=C(NC[C@H](O)C[NH+]1CCOCC1)C12CCC[NH+]1CCC2 ZINC000370543351 353691011 /nfs/dbraw/zinc/69/10/11/353691011.db2.gz YXKAWUSLBSKZBE-ZDUSSCGKSA-N 2 2 297.399 -0.576 20 0 CBADLP CCNC(=O)CC[NH+]1CCC(N2CC[N@H+](C)CC2=O)CC1 ZINC000371642200 353704952 /nfs/dbraw/zinc/70/49/52/353704952.db2.gz MEGKERSZSVWOPW-UHFFFAOYSA-N 2 2 296.415 -0.249 20 0 CBADLP CCNC(=O)CC[NH+]1CCC(N2CC[N@@H+](C)CC2=O)CC1 ZINC000371642200 353704955 /nfs/dbraw/zinc/70/49/55/353704955.db2.gz MEGKERSZSVWOPW-UHFFFAOYSA-N 2 2 296.415 -0.249 20 0 CBADLP CN(C)C(=O)C[NH+]1CCC(N2CC[N@H+](C)CC2=O)CC1 ZINC000371648382 353705051 /nfs/dbraw/zinc/70/50/51/353705051.db2.gz YYUYSKJYQQLPQN-UHFFFAOYSA-N 2 2 282.388 -0.687 20 0 CBADLP CN(C)C(=O)C[NH+]1CCC(N2CC[N@@H+](C)CC2=O)CC1 ZINC000371648382 353705055 /nfs/dbraw/zinc/70/50/55/353705055.db2.gz YYUYSKJYQQLPQN-UHFFFAOYSA-N 2 2 282.388 -0.687 20 0 CBADLP O=C([C@H]1C[C@@H]2CCCC[N@@H+]2C1)N1CC[NH+](CCO)CC1 ZINC000371902343 353708086 /nfs/dbraw/zinc/70/80/86/353708086.db2.gz QPPSVVPNXWSUFM-KBPBESRZSA-N 2 2 281.400 -0.003 20 0 CBADLP O=C([C@H]1C[C@@H]2CCCC[N@H+]2C1)N1CC[NH+](CCO)CC1 ZINC000371902343 353708090 /nfs/dbraw/zinc/70/80/90/353708090.db2.gz QPPSVVPNXWSUFM-KBPBESRZSA-N 2 2 281.400 -0.003 20 0 CBADLP O=C([C@@H]1C[C@@H]2CCCC[N@@H+]2C1)N1CC[NH+](CCO)CC1 ZINC000371902344 353708292 /nfs/dbraw/zinc/70/82/92/353708292.db2.gz QPPSVVPNXWSUFM-KGLIPLIRSA-N 2 2 281.400 -0.003 20 0 CBADLP O=C([C@@H]1C[C@@H]2CCCC[N@H+]2C1)N1CC[NH+](CCO)CC1 ZINC000371902344 353708295 /nfs/dbraw/zinc/70/82/95/353708295.db2.gz QPPSVVPNXWSUFM-KGLIPLIRSA-N 2 2 281.400 -0.003 20 0 CBADLP O=C([C@@H]1COCC[NH2+]1)N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000372103570 353710405 /nfs/dbraw/zinc/71/04/05/353710405.db2.gz VHZSNOQXMNHRPT-RYUDHWBXSA-N 2 2 285.413 -0.376 20 0 CBADLP C[NH+](C)CC(=O)NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000372368894 353715556 /nfs/dbraw/zinc/71/55/56/353715556.db2.gz WJUMUATYXFWHLJ-RYUDHWBXSA-N 2 2 255.362 -0.083 20 0 CBADLP C[NH+](C)CC(=O)NC[C@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000372368894 353715560 /nfs/dbraw/zinc/71/55/60/353715560.db2.gz WJUMUATYXFWHLJ-RYUDHWBXSA-N 2 2 255.362 -0.083 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CC(O)(C3CC3)C2)CC1 ZINC000372689560 353720990 /nfs/dbraw/zinc/72/09/90/353720990.db2.gz DWIKGKZOCGKZSA-GFCCVEGCSA-N 2 2 281.400 -0.004 20 0 CBADLP CC(C)[C@@H](O)C[N@@H+]1CCO[C@H](CN2CC[NH+](C)CC2)C1 ZINC000373004518 353725106 /nfs/dbraw/zinc/72/51/06/353725106.db2.gz YJJNYVQVNIFQDY-CABCVRRESA-N 2 2 285.432 -0.049 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](n3cncn3)C2)CC1 ZINC000375343494 353759529 /nfs/dbraw/zinc/75/95/29/353759529.db2.gz FBWREQAVIKCDJR-GFCCVEGCSA-N 2 2 278.360 -0.701 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](n3cncn3)C2)CC1 ZINC000375343494 353759533 /nfs/dbraw/zinc/75/95/33/353759533.db2.gz FBWREQAVIKCDJR-GFCCVEGCSA-N 2 2 278.360 -0.701 20 0 CBADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+]([C@@H]2CC(=O)N(C)C2=O)C1 ZINC000378288336 353780407 /nfs/dbraw/zinc/78/04/07/353780407.db2.gz XNGFSURSCRXWDF-NXEZZACHSA-N 2 2 262.313 -0.033 20 0 CBADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+]([C@@H]2CC(=O)N(C)C2=O)C1 ZINC000378288336 353780410 /nfs/dbraw/zinc/78/04/10/353780410.db2.gz XNGFSURSCRXWDF-NXEZZACHSA-N 2 2 262.313 -0.033 20 0 CBADLP C[C@@H]([NH3+])[C@@H](C)C(=O)N1CC[NH+](C2(C(N)=O)CCCC2)CC1 ZINC000373798753 353736573 /nfs/dbraw/zinc/73/65/73/353736573.db2.gz FRJUGCYWLXWJPL-VXGBXAGGSA-N 2 2 296.415 -0.088 20 0 CBADLP CNC(=O)NC(=O)C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000374426130 353745614 /nfs/dbraw/zinc/74/56/14/353745614.db2.gz COCXBZJHSANLCZ-SDDRHHMPSA-N 2 2 298.387 -0.375 20 0 CBADLP CNC(=O)NC(=O)C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000374426130 353745617 /nfs/dbraw/zinc/74/56/17/353745617.db2.gz COCXBZJHSANLCZ-SDDRHHMPSA-N 2 2 298.387 -0.375 20 0 CBADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H]1CCN(S(C)(=O)=O)C1 ZINC000400145325 353798963 /nfs/dbraw/zinc/79/89/63/353798963.db2.gz NIQNMTZDXGBHPL-WOPDTQHZSA-N 2 2 291.417 -0.623 20 0 CBADLP C[N@@H+]1CCN(C(=O)CC[C@H]2CCOC2)[C@H](C[NH3+])C1 ZINC000401418992 353802654 /nfs/dbraw/zinc/80/26/54/353802654.db2.gz DMKRHDZCCHKNLT-NWDGAFQWSA-N 2 2 255.362 -0.096 20 0 CBADLP C[N@H+]1CCN(C(=O)CC[C@H]2CCOC2)[C@H](C[NH3+])C1 ZINC000401418992 353802657 /nfs/dbraw/zinc/80/26/57/353802657.db2.gz DMKRHDZCCHKNLT-NWDGAFQWSA-N 2 2 255.362 -0.096 20 0 CBADLP CCO[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(=O)NC)C[C@H]1C[NH3+] ZINC000405494874 353808010 /nfs/dbraw/zinc/80/80/10/353808010.db2.gz AVOUMJABNKZDNP-OPRDCNLKSA-N 2 2 272.349 -0.874 20 0 CBADLP CCO[C@@H]1C[N@H+]([C@H](C)C(=O)NC(=O)NC)C[C@H]1C[NH3+] ZINC000405494874 353808011 /nfs/dbraw/zinc/80/80/11/353808011.db2.gz AVOUMJABNKZDNP-OPRDCNLKSA-N 2 2 272.349 -0.874 20 0 CBADLP CCN(C)C(=O)[C@H](C)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000386469645 353788048 /nfs/dbraw/zinc/78/80/48/353788048.db2.gz UOVCOLYGJCNITO-JQWIXIFHSA-N 2 2 257.378 -0.102 20 0 CBADLP CCN(C)C(=O)[C@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000386469645 353788052 /nfs/dbraw/zinc/78/80/52/353788052.db2.gz UOVCOLYGJCNITO-JQWIXIFHSA-N 2 2 257.378 -0.102 20 0 CBADLP CCN(C)C(=O)[C@@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000386469649 353788125 /nfs/dbraw/zinc/78/81/25/353788125.db2.gz UOVCOLYGJCNITO-ZYHUDNBSSA-N 2 2 257.378 -0.102 20 0 CBADLP CCN(C)C(=O)[C@@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000386469649 353788129 /nfs/dbraw/zinc/78/81/29/353788129.db2.gz UOVCOLYGJCNITO-ZYHUDNBSSA-N 2 2 257.378 -0.102 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH2+][C@@](C)(C(N)=O)C(C)C ZINC000388609890 353789989 /nfs/dbraw/zinc/78/99/89/353789989.db2.gz QPPUQKIMKQWCMN-DGCLKSJQSA-N 2 2 275.393 -0.585 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@](C)(C(N)=O)C(C)C ZINC000388609890 353789991 /nfs/dbraw/zinc/78/99/91/353789991.db2.gz QPPUQKIMKQWCMN-DGCLKSJQSA-N 2 2 275.393 -0.585 20 0 CBADLP CC(=O)NCC1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000408087881 353847133 /nfs/dbraw/zinc/84/71/33/353847133.db2.gz FWSVTNRQPWBYOE-UHFFFAOYSA-N 2 2 296.415 -0.392 20 0 CBADLP CC(=O)[C@](C)(O)C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000408456035 353922694 /nfs/dbraw/zinc/92/26/94/353922694.db2.gz FYFWJKXVFWZJSM-UKRRQHHQSA-N 2 2 297.399 -0.435 20 0 CBADLP CC(=O)[C@](C)(O)C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000408456035 353922696 /nfs/dbraw/zinc/92/26/96/353922696.db2.gz FYFWJKXVFWZJSM-UKRRQHHQSA-N 2 2 297.399 -0.435 20 0 CBADLP C[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)CC1 ZINC000410991378 353939287 /nfs/dbraw/zinc/93/92/87/353939287.db2.gz VACKMNGTSNLSGW-STQMWFEESA-N 2 2 294.399 -0.687 20 0 CBADLP C[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)CC1 ZINC000410991378 353939289 /nfs/dbraw/zinc/93/92/89/353939289.db2.gz VACKMNGTSNLSGW-STQMWFEESA-N 2 2 294.399 -0.687 20 0 CBADLP COCC(COC)[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000412436800 353947244 /nfs/dbraw/zinc/94/72/44/353947244.db2.gz PKTNXWIYIDIYJS-AWEZNQCLSA-N 2 2 299.415 -0.114 20 0 CBADLP COCC(COC)[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000412436800 353947246 /nfs/dbraw/zinc/94/72/46/353947246.db2.gz PKTNXWIYIDIYJS-AWEZNQCLSA-N 2 2 299.415 -0.114 20 0 CBADLP C[C@@H]1CN(C(=O)NCC[NH+]2CCOCC2)C[C@@]1(C)C[NH3+] ZINC000416446228 353969770 /nfs/dbraw/zinc/96/97/70/353969770.db2.gz OKDHMIKMJAOAKC-TZMCWYRMSA-N 2 2 284.404 -0.055 20 0 CBADLP C[C@H](C[NH3+])CNC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000417018861 353974559 /nfs/dbraw/zinc/97/45/59/353974559.db2.gz FUXHRWNBVHBYCT-GHMZBOCLSA-N 2 2 258.366 -0.399 20 0 CBADLP C[C@H](C[NH3+])CNC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000417018862 353974679 /nfs/dbraw/zinc/97/46/79/353974679.db2.gz FUXHRWNBVHBYCT-MNOVXSKESA-N 2 2 258.366 -0.399 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H](C)C[NH3+] ZINC000417018864 353974713 /nfs/dbraw/zinc/97/47/13/353974713.db2.gz FUXHRWNBVHBYCT-WDEREUQCSA-N 2 2 258.366 -0.399 20 0 CBADLP C[NH2+]C[C@H](C)CNC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000417026435 353975582 /nfs/dbraw/zinc/97/55/82/353975582.db2.gz MHLRZKUUYYYHQN-RYUDHWBXSA-N 2 2 272.393 -0.138 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000417031638 353975778 /nfs/dbraw/zinc/97/57/78/353975778.db2.gz PFHPBIUNYXQQDZ-ZYHUDNBSSA-N 2 2 270.377 -0.256 20 0 CBADLP C[C@@H](C[NH3+])NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000417427359 353977870 /nfs/dbraw/zinc/97/78/70/353977870.db2.gz PULXHLYRCAKCEK-JTQLQIEISA-N 2 2 258.366 -0.256 20 0 CBADLP C[C@@H](C[NH3+])NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000417427359 353977872 /nfs/dbraw/zinc/97/78/72/353977872.db2.gz PULXHLYRCAKCEK-JTQLQIEISA-N 2 2 258.366 -0.256 20 0 CBADLP C[NH2+]C[C@H](C)CNC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000417503966 353978635 /nfs/dbraw/zinc/97/86/35/353978635.db2.gz DSVCAHFUZKWCKG-RYUDHWBXSA-N 2 2 272.393 -0.138 20 0 CBADLP C[NH2+]C[C@H](C)CNC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000417503966 353978637 /nfs/dbraw/zinc/97/86/37/353978637.db2.gz DSVCAHFUZKWCKG-RYUDHWBXSA-N 2 2 272.393 -0.138 20 0 CBADLP C[C@H]([C@H](C)NC(=O)NCC(F)(F)C[NH3+])[NH+]1CCOCC1 ZINC000417516028 353979020 /nfs/dbraw/zinc/97/90/20/353979020.db2.gz FTTKWTGNANOURH-VHSXEESVSA-N 2 2 294.346 -0.011 20 0 CBADLP CC[C@H]([NH3+])CNC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000417521036 353979039 /nfs/dbraw/zinc/97/90/39/353979039.db2.gz YDXSNSROEGLPTD-MNOVXSKESA-N 2 2 258.366 -0.256 20 0 CBADLP CC[C@H]([NH3+])CNC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000417521036 353979040 /nfs/dbraw/zinc/97/90/40/353979040.db2.gz YDXSNSROEGLPTD-MNOVXSKESA-N 2 2 258.366 -0.256 20 0 CBADLP CN(C)c1[nH+]cc(CNC(=O)NCC(F)(F)C[NH3+])n1C ZINC000417854630 353984528 /nfs/dbraw/zinc/98/45/28/353984528.db2.gz UKHPZMPCEGPZSA-UHFFFAOYSA-N 2 2 290.318 -0.121 20 0 CBADLP C[C@@H](C[NH3+])CNC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000418211959 353988381 /nfs/dbraw/zinc/98/83/81/353988381.db2.gz LDSUJZLPHVXWPK-CMPLNLGQSA-N 2 2 270.377 -0.256 20 0 CBADLP C[C@@H](C[NH3+])CNC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000418211959 353988386 /nfs/dbraw/zinc/98/83/86/353988386.db2.gz LDSUJZLPHVXWPK-CMPLNLGQSA-N 2 2 270.377 -0.256 20 0 CBADLP C[C@H](C[NH3+])CNC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000418211966 353988541 /nfs/dbraw/zinc/98/85/41/353988541.db2.gz LDSUJZLPHVXWPK-PWSUYJOCSA-N 2 2 270.377 -0.256 20 0 CBADLP C[C@H](C[NH3+])CNC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000418211966 353988544 /nfs/dbraw/zinc/98/85/44/353988544.db2.gz LDSUJZLPHVXWPK-PWSUYJOCSA-N 2 2 270.377 -0.256 20 0 CBADLP CC[C@@H](C(=O)N1CC[N@H+](CCO)C[C@H]1C)[NH+](C)C ZINC000413865795 353959968 /nfs/dbraw/zinc/95/99/68/353959968.db2.gz SZDVWJKLMAJYBE-NEPJUHHUSA-N 2 2 257.378 -0.148 20 0 CBADLP CC[C@@H](C(=O)N1CC[N@@H+](CCO)C[C@H]1C)[NH+](C)C ZINC000413865795 353959969 /nfs/dbraw/zinc/95/99/69/353959969.db2.gz SZDVWJKLMAJYBE-NEPJUHHUSA-N 2 2 257.378 -0.148 20 0 CBADLP COC(=O)COc1ccc(C[N@H+](CC[NH3+])CCO)cc1 ZINC000414907103 353963243 /nfs/dbraw/zinc/96/32/43/353963243.db2.gz DDKCPCSZOUNEMN-UHFFFAOYSA-N 2 2 282.340 -0.009 20 0 CBADLP COC(=O)COc1ccc(C[N@@H+](CC[NH3+])CCO)cc1 ZINC000414907103 353963246 /nfs/dbraw/zinc/96/32/46/353963246.db2.gz DDKCPCSZOUNEMN-UHFFFAOYSA-N 2 2 282.340 -0.009 20 0 CBADLP CC(C)C[C@@H]([NH3+])CN(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000414713663 353963534 /nfs/dbraw/zinc/96/35/34/353963534.db2.gz VDBGQEBGSRSDFY-KGLIPLIRSA-N 2 2 273.421 -0.015 20 0 CBADLP CC(C)C[C@@H]([NH3+])C[N@H+](C)C[C@H](O)CN1CCOCC1 ZINC000414713663 353963537 /nfs/dbraw/zinc/96/35/37/353963537.db2.gz VDBGQEBGSRSDFY-KGLIPLIRSA-N 2 2 273.421 -0.015 20 0 CBADLP CC(C)C[C@@H]([NH3+])C[N@@H+](C)C[C@H](O)CN1CCOCC1 ZINC000414713663 353963538 /nfs/dbraw/zinc/96/35/38/353963538.db2.gz VDBGQEBGSRSDFY-KGLIPLIRSA-N 2 2 273.421 -0.015 20 0 CBADLP CCOCC[NH+]1CCN(C(=O)NCC(F)(F)C[NH3+])CC1 ZINC000418507210 354000171 /nfs/dbraw/zinc/00/01/71/354000171.db2.gz BEVFGMJQFNJCAL-UHFFFAOYSA-N 2 2 294.346 -0.056 20 0 CBADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)N[C@H](C)C[NH3+])CC1 ZINC000418512405 354001255 /nfs/dbraw/zinc/00/12/55/354001255.db2.gz LESNWFFVUOFPBY-GFCCVEGCSA-N 2 2 299.419 -0.471 20 0 CBADLP C[C@@H](O)C[NH+]1CCN(C(=O)NCC(F)(F)C[NH3+])CC1 ZINC000418525219 354001373 /nfs/dbraw/zinc/00/13/73/354001373.db2.gz OOOLDUMIVWUZIE-SECBINFHSA-N 2 2 280.319 -0.712 20 0 CBADLP CC1=CC[N@H+](CCNC(=O)C(=O)N2CC[NH2+]CC2)CC1 ZINC000419219944 354038369 /nfs/dbraw/zinc/03/83/69/354038369.db2.gz IBKAQLQRCAMBMG-UHFFFAOYSA-N 2 2 280.372 -0.814 20 0 CBADLP CC1=CC[N@@H+](CCNC(=O)C(=O)N2CC[NH2+]CC2)CC1 ZINC000419219944 354038374 /nfs/dbraw/zinc/03/83/74/354038374.db2.gz IBKAQLQRCAMBMG-UHFFFAOYSA-N 2 2 280.372 -0.814 20 0 CBADLP CC[NH2+]CCNC(=O)C(=O)NCCCNc1cccc[nH+]1 ZINC000419657477 354068104 /nfs/dbraw/zinc/06/81/04/354068104.db2.gz VXUYEPQDGUTLKY-UHFFFAOYSA-N 2 2 293.371 -0.275 20 0 CBADLP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000419690687 354070441 /nfs/dbraw/zinc/07/04/41/354070441.db2.gz VRVXIIKEJCFHGK-RYUDHWBXSA-N 2 2 295.387 -0.123 20 0 CBADLP C[C@@H]1CN(C(=O)C(=O)NCCCn2cc[nH+]c2)[C@H](C)C[NH2+]1 ZINC000419727398 354073048 /nfs/dbraw/zinc/07/30/48/354073048.db2.gz WJPZSLIWVVRYNW-VXGBXAGGSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NCCn1cc[nH+]c1 ZINC000419402299 354051254 /nfs/dbraw/zinc/05/12/54/354051254.db2.gz OPCLUEJRHWYMKX-QWHCGFSZSA-N 2 2 295.387 -0.020 20 0 CBADLP C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)NCCn1cc[nH+]c1 ZINC000419402299 354051260 /nfs/dbraw/zinc/05/12/60/354051260.db2.gz OPCLUEJRHWYMKX-QWHCGFSZSA-N 2 2 295.387 -0.020 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000419886952 354089683 /nfs/dbraw/zinc/08/96/83/354089683.db2.gz KVPATIGMMHHUSJ-STQMWFEESA-N 2 2 296.415 -0.345 20 0 CBADLP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000419933697 354094100 /nfs/dbraw/zinc/09/41/00/354094100.db2.gz FPSQKNIDCRPVLZ-LLVKDONJSA-N 2 2 282.388 -0.735 20 0 CBADLP C[C@@H](C[NH3+])CNC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000419961947 354097304 /nfs/dbraw/zinc/09/73/04/354097304.db2.gz UPNMZFZXHVSABG-JTQLQIEISA-N 2 2 268.361 -0.996 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000420144104 354112116 /nfs/dbraw/zinc/11/21/16/354112116.db2.gz MJOCQOMVNIHYFT-VXGBXAGGSA-N 2 2 282.388 -0.735 20 0 CBADLP [NH3+]CC(F)(F)CNC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000420146815 354113089 /nfs/dbraw/zinc/11/30/89/354113089.db2.gz BHNLNWFGZPHPIG-UHFFFAOYSA-N 2 2 290.314 -0.997 20 0 CBADLP C[C@H]1CN(CC[N@H+](C)CC(=O)N2CC[NH2+]CC2)CCO1 ZINC000420287957 354121591 /nfs/dbraw/zinc/12/15/91/354121591.db2.gz GTTBRYVNHINECI-ZDUSSCGKSA-N 2 2 284.404 -0.929 20 0 CBADLP C[C@H]1CN(CC[N@@H+](C)CC(=O)N2CC[NH2+]CC2)CCO1 ZINC000420287957 354121595 /nfs/dbraw/zinc/12/15/95/354121595.db2.gz GTTBRYVNHINECI-ZDUSSCGKSA-N 2 2 284.404 -0.929 20 0 CBADLP C[C@H]1C[N@H+](CCN(C)CC(=O)N2CC[NH2+]CC2)CCO1 ZINC000420287957 354121600 /nfs/dbraw/zinc/12/16/00/354121600.db2.gz GTTBRYVNHINECI-ZDUSSCGKSA-N 2 2 284.404 -0.929 20 0 CBADLP C[C@H]1C[N@@H+](CCN(C)CC(=O)N2CC[NH2+]CC2)CCO1 ZINC000420287957 354121604 /nfs/dbraw/zinc/12/16/04/354121604.db2.gz GTTBRYVNHINECI-ZDUSSCGKSA-N 2 2 284.404 -0.929 20 0 CBADLP C[NH2+][C@@H]1CCC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000420288404 354121708 /nfs/dbraw/zinc/12/17/08/354121708.db2.gz GZCKHWALNVUHEC-CYBMUJFWSA-N 3 2 268.405 -0.166 20 0 CBADLP C[NH2+][C@@H]1CCC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000420288404 354121710 /nfs/dbraw/zinc/12/17/10/354121710.db2.gz GZCKHWALNVUHEC-CYBMUJFWSA-N 3 2 268.405 -0.166 20 0 CBADLP C[NH2+][C@@H]1CCC[N@H+](CCC(=O)N(C)CC(=O)OC)C1 ZINC000420285726 354121717 /nfs/dbraw/zinc/12/17/17/354121717.db2.gz DTYBTGGFKXKUKY-LLVKDONJSA-N 2 2 271.361 -0.308 20 0 CBADLP C[NH2+][C@@H]1CCC[N@@H+](CCC(=O)N(C)CC(=O)OC)C1 ZINC000420285726 354121720 /nfs/dbraw/zinc/12/17/20/354121720.db2.gz DTYBTGGFKXKUKY-LLVKDONJSA-N 2 2 271.361 -0.308 20 0 CBADLP CCOC(=O)CC[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000420301431 354121970 /nfs/dbraw/zinc/12/19/70/354121970.db2.gz DRYZWJAFMWQMQF-LBPRGKRZSA-N 2 2 283.372 -0.164 20 0 CBADLP CCOC(=O)CC[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000420301431 354121971 /nfs/dbraw/zinc/12/19/71/354121971.db2.gz DRYZWJAFMWQMQF-LBPRGKRZSA-N 2 2 283.372 -0.164 20 0 CBADLP COC(=O)CCNC(=O)C[N@H+](C)CC(C)(C)C[NH3+] ZINC000420288933 354122008 /nfs/dbraw/zinc/12/20/08/354122008.db2.gz JUBYDPPZHIWXKP-UHFFFAOYSA-N 2 2 259.350 -0.418 20 0 CBADLP COC(=O)CCNC(=O)C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000420288933 354122009 /nfs/dbraw/zinc/12/20/09/354122009.db2.gz JUBYDPPZHIWXKP-UHFFFAOYSA-N 2 2 259.350 -0.418 20 0 CBADLP COC(=O)[C@H](C)[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000420316043 354122883 /nfs/dbraw/zinc/12/28/83/354122883.db2.gz XNPPZZJDUKUACF-WDEREUQCSA-N 2 2 269.345 -0.556 20 0 CBADLP COC(=O)[C@H](C)[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000420316043 354122884 /nfs/dbraw/zinc/12/28/84/354122884.db2.gz XNPPZZJDUKUACF-WDEREUQCSA-N 2 2 269.345 -0.556 20 0 CBADLP O=C(C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)N1CCCC1 ZINC000420312530 354123255 /nfs/dbraw/zinc/12/32/55/354123255.db2.gz SGMBEONSTRXLMS-CYBMUJFWSA-N 2 2 294.399 -0.495 20 0 CBADLP O=C(C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)N1CCCC1 ZINC000420312530 354123256 /nfs/dbraw/zinc/12/32/56/354123256.db2.gz SGMBEONSTRXLMS-CYBMUJFWSA-N 2 2 294.399 -0.495 20 0 CBADLP C[C@@H]1CC[N@H+](CCC(=O)N2CC[NH2+]CC2)[C@H](C[NH3+])C1 ZINC000420333987 354124587 /nfs/dbraw/zinc/12/45/87/354124587.db2.gz KOXOQZAQMSYFEX-OLZOCXBDSA-N 3 2 268.405 -0.133 20 0 CBADLP C[C@@H]1CC[N@@H+](CCC(=O)N2CC[NH2+]CC2)[C@H](C[NH3+])C1 ZINC000420333987 354124589 /nfs/dbraw/zinc/12/45/89/354124589.db2.gz KOXOQZAQMSYFEX-OLZOCXBDSA-N 3 2 268.405 -0.133 20 0 CBADLP COC(=O)C[N@H+](CC[C@H]1CC[NH2+]C1)CCN1CCOCC1 ZINC000420356188 354125375 /nfs/dbraw/zinc/12/53/75/354125375.db2.gz GACVJYIVVPEEJJ-CQSZACIVSA-N 2 2 299.415 -0.207 20 0 CBADLP COC(=O)C[N@@H+](CC[C@H]1CC[NH2+]C1)CCN1CCOCC1 ZINC000420356188 354125377 /nfs/dbraw/zinc/12/53/77/354125377.db2.gz GACVJYIVVPEEJJ-CQSZACIVSA-N 2 2 299.415 -0.207 20 0 CBADLP COC(=O)CN(CC[C@H]1CC[NH2+]C1)CC[NH+]1CCOCC1 ZINC000420356188 354125379 /nfs/dbraw/zinc/12/53/79/354125379.db2.gz GACVJYIVVPEEJJ-CQSZACIVSA-N 2 2 299.415 -0.207 20 0 CBADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CC(=O)NC(=O)NC1CC1 ZINC000420372246 354126982 /nfs/dbraw/zinc/12/69/82/354126982.db2.gz QDPWAVZTKYSLTP-PTRXPTGYSA-N 2 2 268.361 -0.049 20 0 CBADLP CCNC(=O)NC(=O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000420367678 354127012 /nfs/dbraw/zinc/12/70/12/354127012.db2.gz NAWMKYUCMJPQEV-FXPVBKGRSA-N 2 2 256.350 -0.192 20 0 CBADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CC(=O)N1CCOCC1 ZINC000420379116 354127131 /nfs/dbraw/zinc/12/71/31/354127131.db2.gz XKIKRQJFTTVCRH-NTZNESFSSA-N 2 2 255.362 -0.179 20 0 CBADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1N[C@H]1C[NH2+]CC[C@@H]1C ZINC000423363153 354172364 /nfs/dbraw/zinc/17/23/64/354172364.db2.gz NODRFJGFGHOQIH-FIQHERPVSA-N 2 2 255.362 -0.132 20 0 CBADLP CC1(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)C[NH2+]C1 ZINC000423374984 354173954 /nfs/dbraw/zinc/17/39/54/354173954.db2.gz IMPLKFRNLIQTOR-UHFFFAOYSA-N 2 2 255.362 -0.177 20 0 CBADLP CC1(C(=O)NCC[N@H+]2CCOC(C)(C)C2)C[NH2+]C1 ZINC000423374984 354173956 /nfs/dbraw/zinc/17/39/56/354173956.db2.gz IMPLKFRNLIQTOR-UHFFFAOYSA-N 2 2 255.362 -0.177 20 0 CBADLP C[C@@H]1CN(C(=O)C2(C)C[NH2+]C2)C[C@@H]1[NH+]1CCOCC1 ZINC000423428050 354175846 /nfs/dbraw/zinc/17/58/46/354175846.db2.gz JTZACMYVFYPIMW-NEPJUHHUSA-N 2 2 267.373 -0.225 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H](NC(C)=O)C2)CC1 ZINC000420987574 354139350 /nfs/dbraw/zinc/13/93/50/354139350.db2.gz OMLXBHOIEPTNJZ-GXTWGEPZSA-N 2 2 296.415 -0.251 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H](NC(C)=O)C2)CC1 ZINC000420987574 354139354 /nfs/dbraw/zinc/13/93/54/354139354.db2.gz OMLXBHOIEPTNJZ-GXTWGEPZSA-N 2 2 296.415 -0.251 20 0 CBADLP C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)[C@H]1CCC[NH2+]1 ZINC000422709501 354151148 /nfs/dbraw/zinc/15/11/48/354151148.db2.gz DRVCTDHIQRDSBT-QWHCGFSZSA-N 3 2 268.405 -0.119 20 0 CBADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1CC[NH2+]CC1 ZINC000422699220 354151906 /nfs/dbraw/zinc/15/19/06/354151906.db2.gz COUCJRZEXCMIPA-LBPRGKRZSA-N 2 2 255.362 -0.081 20 0 CBADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1CC[NH2+]CC1 ZINC000422699220 354151910 /nfs/dbraw/zinc/15/19/10/354151910.db2.gz COUCJRZEXCMIPA-LBPRGKRZSA-N 2 2 255.362 -0.081 20 0 CBADLP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]C[C@@H](C)C[NH+]1CCOCC1 ZINC000422755605 354153602 /nfs/dbraw/zinc/15/36/02/354153602.db2.gz FWPBAWJNEGMIFE-HZSPNIEDSA-N 2 2 299.415 -0.162 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC[NH2+]C[C@@H]1C ZINC000422753995 354153792 /nfs/dbraw/zinc/15/37/92/354153792.db2.gz JEHHENNTIONQTG-NSHDSACASA-N 2 2 270.377 -0.737 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CC[NH2+]C[C@@H]1C ZINC000422753995 354153795 /nfs/dbraw/zinc/15/37/95/354153795.db2.gz JEHHENNTIONQTG-NSHDSACASA-N 2 2 270.377 -0.737 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)CC1 ZINC000422980877 354159372 /nfs/dbraw/zinc/15/93/72/354159372.db2.gz RKTSQHXFJOEULQ-STQMWFEESA-N 2 2 296.415 -0.406 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000422980366 354159689 /nfs/dbraw/zinc/15/96/89/354159689.db2.gz PCVXRONPDWUBBN-NEPJUHHUSA-N 2 2 282.388 -0.654 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000422981252 354159760 /nfs/dbraw/zinc/15/97/60/354159760.db2.gz SKCJMHRQLMVHPM-CHWSQXEVSA-N 2 2 296.415 -0.264 20 0 CBADLP C[C@@H]([NH2+]CCNC(=O)c1ccn[nH]1)[C@@H]1CCC[NH2+]1 ZINC000423047412 354160729 /nfs/dbraw/zinc/16/07/29/354160729.db2.gz VEFCPVPNUXVTNJ-ZJUUUORDSA-N 2 2 251.334 -0.130 20 0 CBADLP COC(=O)c1cn(CC[NH2+][C@H]2C[NH2+]CC[C@H]2C)nn1 ZINC000423098508 354162656 /nfs/dbraw/zinc/16/26/56/354162656.db2.gz CYDVFUSFVMHCLU-ZJUUUORDSA-N 2 2 267.333 -0.348 20 0 CBADLP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000423665657 354190125 /nfs/dbraw/zinc/19/01/25/354190125.db2.gz KETBVOHETSPNEG-RFQIPJPRSA-N 2 2 279.384 -0.179 20 0 CBADLP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000423665657 354190130 /nfs/dbraw/zinc/19/01/30/354190130.db2.gz KETBVOHETSPNEG-RFQIPJPRSA-N 2 2 279.384 -0.179 20 0 CBADLP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N2CC[NH2+][C@@H](C)C2)CC1 ZINC000423682749 354191038 /nfs/dbraw/zinc/19/10/38/354191038.db2.gz PCCBGCLFMWKZCS-QWHCGFSZSA-N 2 2 296.415 -0.251 20 0 CBADLP CC(C)[NH+]1CCN(C(=O)C(=O)N2CC[NH2+][C@@H](C)C2)CC1 ZINC000423674136 354191151 /nfs/dbraw/zinc/19/11/51/354191151.db2.gz GPCCPFHIAIPBCZ-LBPRGKRZSA-N 2 2 282.388 -0.641 20 0 CBADLP C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](C)CC2)C[C@H]1C[NH3+] ZINC000423708896 354192876 /nfs/dbraw/zinc/19/28/76/354192876.db2.gz NHGVZTFOHXDLFS-NWDGAFQWSA-N 2 2 282.388 -0.796 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])CC1 ZINC000423747006 354196414 /nfs/dbraw/zinc/19/64/14/354196414.db2.gz YRQCOJYHFHYEBJ-STQMWFEESA-N 2 2 296.415 -0.264 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)[C@H]([NH3+])C1CCC1 ZINC000423751661 354197240 /nfs/dbraw/zinc/19/72/40/354197240.db2.gz VIEYXIUZLFMHTP-GFCCVEGCSA-N 2 2 255.362 -0.096 20 0 CBADLP COCC[NH2+]CC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000423766979 354198613 /nfs/dbraw/zinc/19/86/13/354198613.db2.gz WKQYFKUCZUFFMN-BETUJISGSA-N 2 2 287.404 -0.210 20 0 CBADLP COCC[NH2+]CC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000423766979 354198617 /nfs/dbraw/zinc/19/86/17/354198617.db2.gz WKQYFKUCZUFFMN-BETUJISGSA-N 2 2 287.404 -0.210 20 0 CBADLP C[NH2+]CC(=O)N(CC1CC1)C[C@H]1C[N@H+](C)CCO1 ZINC000423875573 354203258 /nfs/dbraw/zinc/20/32/58/354203258.db2.gz RTYVWFZOIJBCQP-GFCCVEGCSA-N 2 2 255.362 -0.225 20 0 CBADLP C[NH2+]CC(=O)N(CC1CC1)C[C@H]1C[N@@H+](C)CCO1 ZINC000423875573 354203262 /nfs/dbraw/zinc/20/32/62/354203262.db2.gz RTYVWFZOIJBCQP-GFCCVEGCSA-N 2 2 255.362 -0.225 20 0 CBADLP C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000423864047 354203452 /nfs/dbraw/zinc/20/34/52/354203452.db2.gz ISABRKLGZACNKH-UONOGXRCSA-N 2 2 297.399 -0.456 20 0 CBADLP C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000423864047 354203455 /nfs/dbraw/zinc/20/34/55/354203455.db2.gz ISABRKLGZACNKH-UONOGXRCSA-N 2 2 297.399 -0.456 20 0 CBADLP CN(CC[NH3+])C(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000423998569 354207316 /nfs/dbraw/zinc/20/73/16/354207316.db2.gz JHFZDQURSOTHBL-LBPRGKRZSA-N 2 2 255.362 -0.096 20 0 CBADLP CN(CC[NH3+])C(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000423998569 354207317 /nfs/dbraw/zinc/20/73/17/354207317.db2.gz JHFZDQURSOTHBL-LBPRGKRZSA-N 2 2 255.362 -0.096 20 0 CBADLP O=C(NC[C@H]1CC[NH2+]CC1(F)F)[C@H]1C[NH2+]CCO1 ZINC000424182603 354216557 /nfs/dbraw/zinc/21/65/57/354216557.db2.gz ZSWAHSKAGRPCJT-RKDXNWHRSA-N 2 2 263.288 -0.664 20 0 CBADLP CC(=O)N1CCN(C(=O)C[NH2+][C@](C)(C[NH3+])C2CC2)CC1 ZINC000430564937 354249789 /nfs/dbraw/zinc/24/97/89/354249789.db2.gz DKRBKFFHJYVLIL-CQSZACIVSA-N 2 2 282.388 -0.606 20 0 CBADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)CCNS(C)(=O)=O ZINC000430573826 354250714 /nfs/dbraw/zinc/25/07/14/354250714.db2.gz RITTTZBRHASZTH-JTQLQIEISA-N 2 2 251.396 -0.159 20 0 CBADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCNS(C)(=O)=O ZINC000430573826 354250716 /nfs/dbraw/zinc/25/07/16/354250716.db2.gz RITTTZBRHASZTH-JTQLQIEISA-N 2 2 251.396 -0.159 20 0 CBADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000431023511 354251639 /nfs/dbraw/zinc/25/16/39/354251639.db2.gz RFBAQABLCRRABG-UPJWGTAASA-N 2 2 268.405 -0.134 20 0 CBADLP C[NH+](C)C1CC[NH+](CCNC(=O)CN2CN=NC2=O)CC1 ZINC000444096536 354260503 /nfs/dbraw/zinc/26/05/03/354260503.db2.gz KCXNLEDDRUAVPG-UHFFFAOYSA-N 2 2 296.375 -0.874 20 0 CBADLP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)[C@H]1CC[NH2+]1 ZINC000444170289 354262082 /nfs/dbraw/zinc/26/20/82/354262082.db2.gz MRGGCNQQRIADPW-DGCLKSJQSA-N 2 2 285.413 -0.328 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000444177033 354263027 /nfs/dbraw/zinc/26/30/27/354263027.db2.gz SGNQCZCZBMSLRR-DYEKYZERSA-N 2 2 267.373 -0.177 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000444177033 354263028 /nfs/dbraw/zinc/26/30/28/354263028.db2.gz SGNQCZCZBMSLRR-DYEKYZERSA-N 2 2 267.373 -0.177 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@H]2C[C@]23CC[NH2+]C3)CC1 ZINC000444193929 354264178 /nfs/dbraw/zinc/26/41/78/354264178.db2.gz RYCXIMJPPYVFDR-HIFRSBDPSA-N 2 2 294.399 -0.734 20 0 CBADLP COCC(C)(C)[NH+]1CCN(C(=O)[C@H]2COCC[NH2+]2)CC1 ZINC000424217534 354219209 /nfs/dbraw/zinc/21/92/09/354219209.db2.gz MCGSXHDOEOMAFI-GFCCVEGCSA-N 2 2 285.388 -0.456 20 0 CBADLP O=C(NC[C@@H]1C[NH2+]C[C@H]1O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424464031 354224640 /nfs/dbraw/zinc/22/46/40/354224640.db2.gz HKSRDHRQBVLNBD-IVZWLZJFSA-N 2 2 292.330 -0.889 20 0 CBADLP O=C(NC[C@H]1CC[NH2+]CC1(F)F)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000424471910 354225415 /nfs/dbraw/zinc/22/54/15/354225415.db2.gz TZTMIHLVOKPIIJ-IMSYWVGJSA-N 2 2 274.315 -0.252 20 0 CBADLP C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(CC[NH3+])CC1 ZINC000262694683 137724016 /nfs/dbraw/zinc/72/40/16/137724016.db2.gz BAFGMXABUINLDO-CYBMUJFWSA-N 2 2 268.405 -0.036 20 0 CBADLP C[C@@H](NC(=O)[C@H]1CC[NH2+]C1)[C@H](C)[NH+]1CCOCC1 ZINC000446360587 354286479 /nfs/dbraw/zinc/28/64/79/354286479.db2.gz AXLSTMUZNZDZDD-WOPDTQHZSA-N 2 2 255.362 -0.179 20 0 CBADLP Cn1cc[nH+]c1CN1CCN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000446405124 354287482 /nfs/dbraw/zinc/28/74/82/354287482.db2.gz JLFUEWFPBFPDCW-NWDGAFQWSA-N 2 2 295.362 -0.236 20 0 CBADLP CO[C@@H]1CC[NH+](CC(O)C[N@H+]2CC[C@@H](OC)C2)C1 ZINC000447306891 354296099 /nfs/dbraw/zinc/29/60/99/354296099.db2.gz VYTXLDHZUZIWEF-CHWSQXEVSA-N 2 2 258.362 -0.211 20 0 CBADLP CO[C@@H]1CC[NH+](CC(O)C[N@@H+]2CC[C@@H](OC)C2)C1 ZINC000447306891 354296100 /nfs/dbraw/zinc/29/61/00/354296100.db2.gz VYTXLDHZUZIWEF-CHWSQXEVSA-N 2 2 258.362 -0.211 20 0 CBADLP CC(C)OCC[NH+]1CCN(C(=O)[C@H]2CC[NH2+]2)CC1 ZINC000444266713 354267754 /nfs/dbraw/zinc/26/77/54/354267754.db2.gz LHNMSNDTDIAARE-GFCCVEGCSA-N 2 2 255.362 -0.083 20 0 CBADLP CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000449441802 354320136 /nfs/dbraw/zinc/32/01/36/354320136.db2.gz ISBCOZFSQUPMRC-GMTAPVOTSA-N 2 2 263.407 -0.146 20 0 CBADLP CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000449441802 354320140 /nfs/dbraw/zinc/32/01/40/354320140.db2.gz ISBCOZFSQUPMRC-GMTAPVOTSA-N 2 2 263.407 -0.146 20 0 CBADLP C[NH+]1CCN(C(=O)C(=O)N2CC[NH+](CC3CC3)CC2)CC1 ZINC000460023480 354395917 /nfs/dbraw/zinc/39/59/17/354395917.db2.gz POBSCKGKJSMOBD-UHFFFAOYSA-N 2 2 294.399 -0.685 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2C[C@H](OC)[C@@H](OC)C2)CC1 ZINC000488020845 354420361 /nfs/dbraw/zinc/42/03/61/354420361.db2.gz CHEFQNUBYNGQQR-IHRRRGAJSA-N 2 2 299.415 -0.115 20 0 CBADLP C[C@@](O)(CNC(=O)C=Cc1c[nH]c[nH+]1)C[NH+]1CCOCC1 ZINC000492872191 354484324 /nfs/dbraw/zinc/48/43/24/354484324.db2.gz YITIIVDEDZIZTJ-BAABZTOOSA-N 2 2 294.355 -0.378 20 0 CBADLP C[NH+](C)C/C=C/C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000492070452 354465898 /nfs/dbraw/zinc/46/58/98/354465898.db2.gz VRDPWIZGHHHLDA-ONEGZZNKSA-N 2 2 292.387 -0.460 20 0 CBADLP CCOC(=O)N1CCN(C(=O)C[N@H+](C)C2CC([NH3+])C2)CC1 ZINC000496109668 354533147 /nfs/dbraw/zinc/53/31/47/354533147.db2.gz XWZGILSNHXHOSV-UHFFFAOYSA-N 2 2 298.387 -0.291 20 0 CBADLP CCOC(=O)N1CCN(C(=O)C[N@@H+](C)C2CC([NH3+])C2)CC1 ZINC000496109668 354533151 /nfs/dbraw/zinc/53/31/51/354533151.db2.gz XWZGILSNHXHOSV-UHFFFAOYSA-N 2 2 298.387 -0.291 20 0 CBADLP COC(=O)N1CC([NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)C1 ZINC000496315281 354541417 /nfs/dbraw/zinc/54/14/17/354541417.db2.gz WBJHUNAFRGXVMO-NXEZZACHSA-N 2 2 257.334 -0.206 20 0 CBADLP O=C(/C=C\c1[nH]cc[nH+]1)N1CC[NH+](CCO)CC1 ZINC000493069116 354487716 /nfs/dbraw/zinc/48/77/16/354487716.db2.gz FXZOZCZYVFCDDN-UPHRSURJSA-N 2 2 250.302 -0.441 20 0 CBADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@H]1CCCN1S(C)(=O)=O ZINC000513526486 354555119 /nfs/dbraw/zinc/55/51/19/354555119.db2.gz ONSPKQQUHHRREM-TUAOUCFPSA-N 2 2 275.418 -0.050 20 0 CBADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@H]1CCCN1S(C)(=O)=O ZINC000513526486 354555123 /nfs/dbraw/zinc/55/51/23/354555123.db2.gz ONSPKQQUHHRREM-TUAOUCFPSA-N 2 2 275.418 -0.050 20 0 CBADLP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)CN3CC[NH2+]CC3=O)C[C@H]21 ZINC000518531827 354558693 /nfs/dbraw/zinc/55/86/93/354558693.db2.gz CBEBVXATCDFCCY-QJPTWQEYSA-N 2 2 280.372 -0.996 20 0 CBADLP CN(C)c1cc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])ncn1 ZINC000519353027 354560015 /nfs/dbraw/zinc/56/00/15/354560015.db2.gz GKOUXCLBYYNWJW-JTQLQIEISA-N 2 2 293.375 -0.351 20 0 CBADLP CN(C)c1cc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])ncn1 ZINC000519353027 354560017 /nfs/dbraw/zinc/56/00/17/354560017.db2.gz GKOUXCLBYYNWJW-JTQLQIEISA-N 2 2 293.375 -0.351 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[NH+](C)C[C@H]2C)O1 ZINC000527544494 354578135 /nfs/dbraw/zinc/57/81/35/354578135.db2.gz HWEAZZQGWYGFLH-IJLUTSLNSA-N 2 2 255.362 -0.132 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[NH+](C)C[C@H]2C)O1 ZINC000527544494 354578137 /nfs/dbraw/zinc/57/81/37/354578137.db2.gz HWEAZZQGWYGFLH-IJLUTSLNSA-N 2 2 255.362 -0.132 20 0 CBADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[N@H+](C)C[C@H]2C)O1 ZINC000527544494 354578139 /nfs/dbraw/zinc/57/81/39/354578139.db2.gz HWEAZZQGWYGFLH-IJLUTSLNSA-N 2 2 255.362 -0.132 20 0 CBADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[N@@H+](C)C[C@H]2C)O1 ZINC000527544494 354578141 /nfs/dbraw/zinc/57/81/41/354578141.db2.gz HWEAZZQGWYGFLH-IJLUTSLNSA-N 2 2 255.362 -0.132 20 0 CBADLP COC(=O)CNC(=O)[C@H](C)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000533429666 354592886 /nfs/dbraw/zinc/59/28/86/354592886.db2.gz DZEOLMLKGWTWBY-RYUDHWBXSA-N 2 2 285.388 -0.062 20 0 CBADLP COC(=O)CNC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000533429666 354592888 /nfs/dbraw/zinc/59/28/88/354592888.db2.gz DZEOLMLKGWTWBY-RYUDHWBXSA-N 2 2 285.388 -0.062 20 0 CBADLP COC(=O)CNC(=O)[C@H](C)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000533429666 354592890 /nfs/dbraw/zinc/59/28/90/354592890.db2.gz DZEOLMLKGWTWBY-RYUDHWBXSA-N 2 2 285.388 -0.062 20 0 CBADLP COC(=O)CNC(=O)[C@H](C)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000533429666 354592892 /nfs/dbraw/zinc/59/28/92/354592892.db2.gz DZEOLMLKGWTWBY-RYUDHWBXSA-N 2 2 285.388 -0.062 20 0 CBADLP C[N@@H+]1CCN(C(=O)NCCOCC(F)(F)F)[C@H](C[NH3+])C1 ZINC000557113530 354685210 /nfs/dbraw/zinc/68/52/10/354685210.db2.gz OCCSAFGYATYWRN-SECBINFHSA-N 2 2 298.309 -0.150 20 0 CBADLP C[N@H+]1CCN(C(=O)NCCOCC(F)(F)F)[C@H](C[NH3+])C1 ZINC000557113530 354685213 /nfs/dbraw/zinc/68/52/13/354685213.db2.gz OCCSAFGYATYWRN-SECBINFHSA-N 2 2 298.309 -0.150 20 0 CBADLP CC[N@H+](CCNC(=O)N1CC[NH+](C)C[C@@H]1C[NH3+])C1CC1 ZINC000557144676 354685244 /nfs/dbraw/zinc/68/52/44/354685244.db2.gz MXUNGPASBOHCEM-ZDUSSCGKSA-N 3 2 283.420 -0.245 20 0 CBADLP CC[N@@H+](CCNC(=O)N1CC[NH+](C)C[C@@H]1C[NH3+])C1CC1 ZINC000557144676 354685246 /nfs/dbraw/zinc/68/52/46/354685246.db2.gz MXUNGPASBOHCEM-ZDUSSCGKSA-N 3 2 283.420 -0.245 20 0 CBADLP CC[NH+](CCNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])C1CC1 ZINC000557144676 354685249 /nfs/dbraw/zinc/68/52/49/354685249.db2.gz MXUNGPASBOHCEM-ZDUSSCGKSA-N 3 2 283.420 -0.245 20 0 CBADLP CC[NH+](CCNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])C1CC1 ZINC000557144676 354685253 /nfs/dbraw/zinc/68/52/53/354685253.db2.gz MXUNGPASBOHCEM-ZDUSSCGKSA-N 3 2 283.420 -0.245 20 0 CBADLP C[N@@H+]1CCN(C(=O)NCCC(=O)NC(C)(C)C)[C@@H](C[NH3+])C1 ZINC000557153986 354685506 /nfs/dbraw/zinc/68/55/06/354685506.db2.gz ANPAIRSRARDJLF-NSHDSACASA-N 2 2 299.419 -0.425 20 0 CBADLP C[N@H+]1CCN(C(=O)NCCC(=O)NC(C)(C)C)[C@@H](C[NH3+])C1 ZINC000557153986 354685507 /nfs/dbraw/zinc/68/55/07/354685507.db2.gz ANPAIRSRARDJLF-NSHDSACASA-N 2 2 299.419 -0.425 20 0 CBADLP CC(C)N1C[C@@H](NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])CC1=O ZINC000557167166 354685562 /nfs/dbraw/zinc/68/55/62/354685562.db2.gz JZUXRCIZXVNEEA-RYUDHWBXSA-N 2 2 297.403 -0.720 20 0 CBADLP CC(C)N1C[C@@H](NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])CC1=O ZINC000557167166 354685564 /nfs/dbraw/zinc/68/55/64/354685564.db2.gz JZUXRCIZXVNEEA-RYUDHWBXSA-N 2 2 297.403 -0.720 20 0 CBADLP [NH3+][C@H](CNC(=O)NCC1([NH+]2CCOCC2)CC1)C1CC1 ZINC000557204722 354685604 /nfs/dbraw/zinc/68/56/04/354685604.db2.gz GOYXGWSALQBYCX-GFCCVEGCSA-N 2 2 282.388 -0.112 20 0 CBADLP CC(C)N1CC[C@@H](NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])C1=O ZINC000562811158 354687962 /nfs/dbraw/zinc/68/79/62/354687962.db2.gz SNFOTZKKQRVILC-NWDGAFQWSA-N 2 2 297.403 -0.720 20 0 CBADLP CC(C)N1CC[C@@H](NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])C1=O ZINC000562811158 354687964 /nfs/dbraw/zinc/68/79/64/354687964.db2.gz SNFOTZKKQRVILC-NWDGAFQWSA-N 2 2 297.403 -0.720 20 0 CBADLP CC1CC[NH+](CC[NH2+]CCC(=O)NC(N)=O)CC1 ZINC000562987231 354691036 /nfs/dbraw/zinc/69/10/36/354691036.db2.gz FJWMENDHDBTSJA-UHFFFAOYSA-N 2 2 256.350 -0.107 20 0 CBADLP COCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)Cn1cccn1 ZINC000562986340 354691090 /nfs/dbraw/zinc/69/10/90/354691090.db2.gz XGRCSJWVNXMQDR-UONOGXRCSA-N 2 2 282.388 -0.056 20 0 CBADLP COCC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)Cn1cccn1 ZINC000562986340 354691091 /nfs/dbraw/zinc/69/10/91/354691091.db2.gz XGRCSJWVNXMQDR-UONOGXRCSA-N 2 2 282.388 -0.056 20 0 CBADLP Cc1cnn(CC[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c1 ZINC000565240223 354734439 /nfs/dbraw/zinc/73/44/39/354734439.db2.gz TWIRGXJHCXPUDZ-VXGBXAGGSA-N 2 2 263.345 -0.565 20 0 CBADLP Cc1cnn(CC[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c1 ZINC000565240223 354734444 /nfs/dbraw/zinc/73/44/44/354734444.db2.gz TWIRGXJHCXPUDZ-VXGBXAGGSA-N 2 2 263.345 -0.565 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)CC1(C[NH3+])CC1 ZINC000563047382 354693380 /nfs/dbraw/zinc/69/33/80/354693380.db2.gz KKWNILBRXCXEFP-UHFFFAOYSA-N 2 2 255.362 -0.094 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)Nc1ccc2[nH+]ccn2c1 ZINC000563069513 354694659 /nfs/dbraw/zinc/69/46/59/354694659.db2.gz LBJSESWHAKZKSU-UHFFFAOYSA-N 2 2 273.296 -0.295 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000563088809 354695339 /nfs/dbraw/zinc/69/53/39/354695339.db2.gz JVIXGIKSUDIEKY-AWEZNQCLSA-N 2 2 280.372 -0.980 20 0 CBADLP C[NH+]1CCC(C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])CC1 ZINC000563101633 354696876 /nfs/dbraw/zinc/69/68/76/354696876.db2.gz JZSIPKIQINMKSY-LBPRGKRZSA-N 3 2 254.378 -0.571 20 0 CBADLP C[NH+]1CCC(C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])CC1 ZINC000563101633 354696878 /nfs/dbraw/zinc/69/68/78/354696878.db2.gz JZSIPKIQINMKSY-LBPRGKRZSA-N 3 2 254.378 -0.571 20 0 CBADLP COCCc1noc(C[N@H+](C)CCN2CC[NH2+]CC2)n1 ZINC000563153368 354700025 /nfs/dbraw/zinc/70/00/25/354700025.db2.gz UZDMDZWMNCRVFT-UHFFFAOYSA-N 2 2 283.376 -0.405 20 0 CBADLP COCCc1noc(C[N@@H+](C)CCN2CC[NH2+]CC2)n1 ZINC000563153368 354700029 /nfs/dbraw/zinc/70/00/29/354700029.db2.gz UZDMDZWMNCRVFT-UHFFFAOYSA-N 2 2 283.376 -0.405 20 0 CBADLP [NH3+][C@@H]1Cc2ccccc2N(C(=O)CN2CC[NH2+]CC2=O)C1 ZINC000563171068 354701719 /nfs/dbraw/zinc/70/17/19/354701719.db2.gz XYIGHZCRARYTTM-GFCCVEGCSA-N 2 2 288.351 -0.665 20 0 CBADLP Cc1c(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cnn1C ZINC000563430406 354704646 /nfs/dbraw/zinc/70/46/46/354704646.db2.gz AZSDLXBHOHLDID-RYUDHWBXSA-N 2 2 263.345 -0.528 20 0 CBADLP Cc1c(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cnn1C ZINC000563430406 354704647 /nfs/dbraw/zinc/70/46/47/354704647.db2.gz AZSDLXBHOHLDID-RYUDHWBXSA-N 2 2 263.345 -0.528 20 0 CBADLP Cc1cc(NC(=O)NCC(=O)N2CC[NH2+]CC2)cc[nH+]1 ZINC000563797639 354705287 /nfs/dbraw/zinc/70/52/87/354705287.db2.gz WRJXNFNENKIJDM-UHFFFAOYSA-N 2 2 277.328 -0.635 20 0 CBADLP CO[C@@H](CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])C1CC1 ZINC000563875607 354707210 /nfs/dbraw/zinc/70/72/10/354707210.db2.gz QSOREQWALMAQEY-NEPJUHHUSA-N 2 2 270.377 -0.304 20 0 CBADLP CO[C@@H](CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])C1CC1 ZINC000563875607 354707212 /nfs/dbraw/zinc/70/72/12/354707212.db2.gz QSOREQWALMAQEY-NEPJUHHUSA-N 2 2 270.377 -0.304 20 0 CBADLP CCC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000565240306 354734527 /nfs/dbraw/zinc/73/45/27/354734527.db2.gz UUZHAKANLNOLGP-CYDGBPFRSA-N 2 2 296.415 -0.077 20 0 CBADLP CCC[C@H](C)NC(=O)[C@H](C)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000565240306 354734529 /nfs/dbraw/zinc/73/45/29/354734529.db2.gz UUZHAKANLNOLGP-CYDGBPFRSA-N 2 2 296.415 -0.077 20 0 CBADLP NC(=O)c1c[nH+]ccc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000563925034 354708003 /nfs/dbraw/zinc/70/80/03/354708003.db2.gz WJHUCOUZBOJNHU-JTQLQIEISA-N 2 2 262.313 -0.299 20 0 CBADLP NC(=O)c1c[nH+]ccc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000563925034 354708005 /nfs/dbraw/zinc/70/80/05/354708005.db2.gz WJHUCOUZBOJNHU-JTQLQIEISA-N 2 2 262.313 -0.299 20 0 CBADLP CC(C)NC(=O)CCCC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000564944279 354722301 /nfs/dbraw/zinc/72/23/01/354722301.db2.gz KNBWOSAFWXHAJJ-LBPRGKRZSA-N 2 2 284.404 -0.217 20 0 CBADLP CC(C)NC(=O)CCCC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000564944279 354722303 /nfs/dbraw/zinc/72/23/03/354722303.db2.gz KNBWOSAFWXHAJJ-LBPRGKRZSA-N 2 2 284.404 -0.217 20 0 CBADLP Cc1cnn(CC[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c1 ZINC000565240222 354734588 /nfs/dbraw/zinc/73/45/88/354734588.db2.gz TWIRGXJHCXPUDZ-RYUDHWBXSA-N 2 2 263.345 -0.565 20 0 CBADLP Cc1cnn(CC[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c1 ZINC000565240222 354734590 /nfs/dbraw/zinc/73/45/90/354734590.db2.gz TWIRGXJHCXPUDZ-RYUDHWBXSA-N 2 2 263.345 -0.565 20 0 CBADLP COC(=O)CCNC(=O)C[NH2+][C@](C)(C[NH3+])C(C)C ZINC000564989853 354724699 /nfs/dbraw/zinc/72/46/99/354724699.db2.gz QWKBPMHHXWOSHB-GFCCVEGCSA-N 2 2 259.350 -0.371 20 0 CBADLP CN(Cc1cnn(C)c1)C(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000565046167 354726863 /nfs/dbraw/zinc/72/68/63/354726863.db2.gz HKGKNLZUMURWML-UONOGXRCSA-N 2 2 291.399 -0.080 20 0 CBADLP CN(Cc1cnn(C)c1)C(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000565046167 354726866 /nfs/dbraw/zinc/72/68/66/354726866.db2.gz HKGKNLZUMURWML-UONOGXRCSA-N 2 2 291.399 -0.080 20 0 CBADLP OCC1([NH2+]CC2CC2)CC[NH+]([C@@H]2COC[C@H]2O)CC1 ZINC000565050842 354727674 /nfs/dbraw/zinc/72/76/74/354727674.db2.gz IAHHMKGQCBBQGV-CHWSQXEVSA-N 2 2 270.373 -0.427 20 0 CBADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)CC(F)(F)C[NH3+] ZINC000565149955 354729301 /nfs/dbraw/zinc/72/93/01/354729301.db2.gz FHSSEQMBKNJJKT-SNVBAGLBSA-N 2 2 278.347 -0.277 20 0 CBADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)CC(F)(F)C[NH3+] ZINC000565149955 354729305 /nfs/dbraw/zinc/72/93/05/354729305.db2.gz FHSSEQMBKNJJKT-SNVBAGLBSA-N 2 2 278.347 -0.277 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)[C@]1(CO)CCOC1 ZINC000565157714 354729842 /nfs/dbraw/zinc/72/98/42/354729842.db2.gz OVEYBJWWEUBPFS-OLZOCXBDSA-N 2 2 276.377 -0.991 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@]1(CO)CCOC1 ZINC000565157714 354729846 /nfs/dbraw/zinc/72/98/46/354729846.db2.gz OVEYBJWWEUBPFS-OLZOCXBDSA-N 2 2 276.377 -0.991 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)[C@]1(CO)CCOC1 ZINC000565157714 354729848 /nfs/dbraw/zinc/72/98/48/354729848.db2.gz OVEYBJWWEUBPFS-OLZOCXBDSA-N 2 2 276.377 -0.991 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@]1(CO)CCOC1 ZINC000565157714 354729853 /nfs/dbraw/zinc/72/98/53/354729853.db2.gz OVEYBJWWEUBPFS-OLZOCXBDSA-N 2 2 276.377 -0.991 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)CCn1cccn1 ZINC000565167218 354730409 /nfs/dbraw/zinc/73/04/09/354730409.db2.gz WZJBMRNTVGEGCW-CYBMUJFWSA-N 2 2 270.377 -0.246 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)CCn1cccn1 ZINC000565167218 354730410 /nfs/dbraw/zinc/73/04/10/354730410.db2.gz WZJBMRNTVGEGCW-CYBMUJFWSA-N 2 2 270.377 -0.246 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)CCn1cccn1 ZINC000565167218 354730412 /nfs/dbraw/zinc/73/04/12/354730412.db2.gz WZJBMRNTVGEGCW-CYBMUJFWSA-N 2 2 270.377 -0.246 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)CCn1cccn1 ZINC000565167218 354730414 /nfs/dbraw/zinc/73/04/14/354730414.db2.gz WZJBMRNTVGEGCW-CYBMUJFWSA-N 2 2 270.377 -0.246 20 0 CBADLP CNC(=O)[C@@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+](C)CCOC ZINC000567565693 354790636 /nfs/dbraw/zinc/79/06/36/354790636.db2.gz ZDVNPWVNTYDXJD-STQMWFEESA-N 2 2 287.404 -0.474 20 0 CBADLP CNC(=O)[C@@H]1CCCC[N@H+]1C[C@@H](O)C[NH+](C)CCOC ZINC000567565693 354790639 /nfs/dbraw/zinc/79/06/39/354790639.db2.gz ZDVNPWVNTYDXJD-STQMWFEESA-N 2 2 287.404 -0.474 20 0 CBADLP CNC(=O)[C@@H]1CCCC[NH+]1C[C@@H](O)C[N@H+](C)CCOC ZINC000567565693 354790644 /nfs/dbraw/zinc/79/06/44/354790644.db2.gz ZDVNPWVNTYDXJD-STQMWFEESA-N 2 2 287.404 -0.474 20 0 CBADLP CNC(=O)[C@@H]1CCCC[NH+]1C[C@@H](O)C[N@@H+](C)CCOC ZINC000567565693 354790649 /nfs/dbraw/zinc/79/06/49/354790649.db2.gz ZDVNPWVNTYDXJD-STQMWFEESA-N 2 2 287.404 -0.474 20 0 CBADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000566012827 354750510 /nfs/dbraw/zinc/75/05/10/354750510.db2.gz UPVOLVWODPVTLS-UTUOFQBUSA-N 2 2 254.378 -0.524 20 0 CBADLP COC(=O)CNC(=O)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000566017834 354750558 /nfs/dbraw/zinc/75/05/58/354750558.db2.gz MHFRTUAUBOCSEP-SNVBAGLBSA-N 2 2 280.328 -0.501 20 0 CBADLP COC(=O)CNC(=O)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000566017834 354750560 /nfs/dbraw/zinc/75/05/60/354750560.db2.gz MHFRTUAUBOCSEP-SNVBAGLBSA-N 2 2 280.328 -0.501 20 0 CBADLP O=C(NCC[N@@H+]1CCCOCC1)[C@@H]1CSC[NH2+]1 ZINC000566250656 354759987 /nfs/dbraw/zinc/75/99/87/354759987.db2.gz DBFYBECNDTXXHI-JTQLQIEISA-N 2 2 259.375 -0.513 20 0 CBADLP O=C(NCC[N@H+]1CCCOCC1)[C@@H]1CSC[NH2+]1 ZINC000566250656 354759990 /nfs/dbraw/zinc/75/99/90/354759990.db2.gz DBFYBECNDTXXHI-JTQLQIEISA-N 2 2 259.375 -0.513 20 0 CBADLP CCC(=O)N[C@H]1CCC[N@H+](C[C@](C)(O)C[NH2+]C)C1 ZINC000566351329 354764346 /nfs/dbraw/zinc/76/43/46/354764346.db2.gz FXXMPRHUMLBDRD-WCQYABFASA-N 2 2 257.378 -0.053 20 0 CBADLP CCC(=O)N[C@H]1CCC[N@@H+](C[C@](C)(O)C[NH2+]C)C1 ZINC000566351329 354764347 /nfs/dbraw/zinc/76/43/47/354764347.db2.gz FXXMPRHUMLBDRD-WCQYABFASA-N 2 2 257.378 -0.053 20 0 CBADLP COCC[NH+]1CCN(c2nc[nH+]c(N)c2OC)CC1 ZINC000566477594 354769131 /nfs/dbraw/zinc/76/91/31/354769131.db2.gz ABTMERBHXPRVOP-UHFFFAOYSA-N 2 2 267.333 -0.164 20 0 CBADLP OCCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](O)Cn1cccn1 ZINC000566620286 354771695 /nfs/dbraw/zinc/77/16/95/354771695.db2.gz WHVNDFZUVFJKRJ-KBPBESRZSA-N 2 2 282.388 -0.320 20 0 CBADLP OCCC[N@H+]1CCC[C@H]1C[NH2+]C[C@H](O)Cn1cccn1 ZINC000566620286 354771698 /nfs/dbraw/zinc/77/16/98/354771698.db2.gz WHVNDFZUVFJKRJ-KBPBESRZSA-N 2 2 282.388 -0.320 20 0 CBADLP CNC(=O)CCC[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000566732655 354773833 /nfs/dbraw/zinc/77/38/33/354773833.db2.gz GKIDDHSBQQSQPG-FRRDWIJNSA-N 2 2 287.404 -0.428 20 0 CBADLP CNC(=O)CCC[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000566732655 354773834 /nfs/dbraw/zinc/77/38/34/354773834.db2.gz GKIDDHSBQQSQPG-FRRDWIJNSA-N 2 2 287.404 -0.428 20 0 CBADLP COCC(COC)[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000567104095 354780635 /nfs/dbraw/zinc/78/06/35/354780635.db2.gz FXUCNSHSEWIXRX-MBNYWOFBSA-N 2 2 290.404 -0.293 20 0 CBADLP COCC(COC)[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000567104095 354780637 /nfs/dbraw/zinc/78/06/37/354780637.db2.gz FXUCNSHSEWIXRX-MBNYWOFBSA-N 2 2 290.404 -0.293 20 0 CBADLP CC(=O)NCC[N@@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000567232088 354783345 /nfs/dbraw/zinc/78/33/45/354783345.db2.gz ARCVEMPBBMQVCN-UHFFFAOYSA-N 2 2 296.415 -0.203 20 0 CBADLP CC(=O)NCC[N@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000567232088 354783346 /nfs/dbraw/zinc/78/33/46/354783346.db2.gz ARCVEMPBBMQVCN-UHFFFAOYSA-N 2 2 296.415 -0.203 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](O)C[C@@H]1C ZINC000567246074 354784102 /nfs/dbraw/zinc/78/41/02/354784102.db2.gz FGYOVMFMQACSGC-RWMBFGLXSA-N 2 2 260.378 -0.229 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](O)C[C@@H]1C ZINC000567246074 354784104 /nfs/dbraw/zinc/78/41/04/354784104.db2.gz FGYOVMFMQACSGC-RWMBFGLXSA-N 2 2 260.378 -0.229 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](O)C[C@@H]1C ZINC000567246074 354784107 /nfs/dbraw/zinc/78/41/07/354784107.db2.gz FGYOVMFMQACSGC-RWMBFGLXSA-N 2 2 260.378 -0.229 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](O)C[C@@H]1C ZINC000567246074 354784108 /nfs/dbraw/zinc/78/41/08/354784108.db2.gz FGYOVMFMQACSGC-RWMBFGLXSA-N 2 2 260.378 -0.229 20 0 CBADLP COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000565362101 354737204 /nfs/dbraw/zinc/73/72/04/354737204.db2.gz SWYZZNGCWZLRPC-QWHCGFSZSA-N 2 2 297.399 -0.013 20 0 CBADLP COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000565362101 354737207 /nfs/dbraw/zinc/73/72/07/354737207.db2.gz SWYZZNGCWZLRPC-QWHCGFSZSA-N 2 2 297.399 -0.013 20 0 CBADLP COC(=O)C[C@H]([NH3+])C(=O)NCCCn1cc[nH+]c1C ZINC000565477397 354738475 /nfs/dbraw/zinc/73/84/75/354738475.db2.gz JZUJFNLJOJLILK-JTQLQIEISA-N 2 2 268.317 -0.412 20 0 CBADLP C[N@@H+]1CCN(C(=O)NCCC2(O)CCC2)[C@@H](C[NH3+])C1 ZINC000565470770 354738639 /nfs/dbraw/zinc/73/86/39/354738639.db2.gz KZVKOAVFFFYMJS-NSHDSACASA-N 2 2 270.377 -0.424 20 0 CBADLP C[N@H+]1CCN(C(=O)NCCC2(O)CCC2)[C@@H](C[NH3+])C1 ZINC000565470770 354738642 /nfs/dbraw/zinc/73/86/42/354738642.db2.gz KZVKOAVFFFYMJS-NSHDSACASA-N 2 2 270.377 -0.424 20 0 CBADLP C[C@@H]1C[C@@H](NC[C@@H](O)C[NH+]2CCOCC2)C[N@@H+]1C1CC1 ZINC000565534640 354740406 /nfs/dbraw/zinc/74/04/06/354740406.db2.gz BVHVAAQQWNSNCY-UMVBOHGHSA-N 2 2 283.416 -0.106 20 0 CBADLP C[C@@H]1C[C@@H](NC[C@@H](O)C[NH+]2CCOCC2)C[N@H+]1C1CC1 ZINC000565534640 354740407 /nfs/dbraw/zinc/74/04/07/354740407.db2.gz BVHVAAQQWNSNCY-UMVBOHGHSA-N 2 2 283.416 -0.106 20 0 CBADLP C[C@@H]1CCN(C(=O)C(=O)NC2C[NH2+]C2)C[C@@H]1n1cc[nH+]c1 ZINC000565647997 354743319 /nfs/dbraw/zinc/74/33/19/354743319.db2.gz KDDRADIWYSACET-PWSUYJOCSA-N 2 2 291.355 -0.619 20 0 CBADLP COC1CCN(C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])CC1 ZINC000567592844 354790457 /nfs/dbraw/zinc/79/04/57/354790457.db2.gz HWYHDPKFFAYUFR-LLVKDONJSA-N 2 2 270.377 -0.208 20 0 CBADLP COC1CCN(C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])CC1 ZINC000567592844 354790461 /nfs/dbraw/zinc/79/04/61/354790461.db2.gz HWYHDPKFFAYUFR-LLVKDONJSA-N 2 2 270.377 -0.208 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1CS(N)(=O)=O ZINC000568163933 354812431 /nfs/dbraw/zinc/81/24/31/354812431.db2.gz FBINRHAHPHSNDQ-GHMZBOCLSA-N 2 2 279.406 -0.948 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1CS(N)(=O)=O ZINC000568163933 354812432 /nfs/dbraw/zinc/81/24/32/354812432.db2.gz FBINRHAHPHSNDQ-GHMZBOCLSA-N 2 2 279.406 -0.948 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000568163933 354812433 /nfs/dbraw/zinc/81/24/33/354812433.db2.gz FBINRHAHPHSNDQ-GHMZBOCLSA-N 2 2 279.406 -0.948 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000568163933 354812434 /nfs/dbraw/zinc/81/24/34/354812434.db2.gz FBINRHAHPHSNDQ-GHMZBOCLSA-N 2 2 279.406 -0.948 20 0 CBADLP CC(=O)[C@](C)(O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000568167963 354813214 /nfs/dbraw/zinc/81/32/14/354813214.db2.gz UBCLUJXXNNVLAJ-GFCCVEGCSA-N 2 2 252.318 -0.128 20 0 CBADLP C[NH+]1CCN(CCNC(=O)C[NH+]2CC(C)(C)C2)CC1 ZINC000568184536 354814670 /nfs/dbraw/zinc/81/46/70/354814670.db2.gz ZRZPWNQCJHNRSL-UHFFFAOYSA-N 2 2 268.405 -0.308 20 0 CBADLP CC[C@H](C)NC(=O)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000568267736 354819090 /nfs/dbraw/zinc/81/90/90/354819090.db2.gz MBIHYAPLEKBXTK-AXFHLTTASA-N 2 2 268.361 -0.855 20 0 CBADLP CC[C@H](C)NC(=O)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000568267736 354819092 /nfs/dbraw/zinc/81/90/92/354819092.db2.gz MBIHYAPLEKBXTK-AXFHLTTASA-N 2 2 268.361 -0.855 20 0 CBADLP CCCCCNC(=O)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000568268300 354819325 /nfs/dbraw/zinc/81/93/25/354819325.db2.gz UTNDWLKTXVWARF-RYUDHWBXSA-N 2 2 282.388 -0.463 20 0 CBADLP CCCCCNC(=O)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000568268300 354819327 /nfs/dbraw/zinc/81/93/27/354819327.db2.gz UTNDWLKTXVWARF-RYUDHWBXSA-N 2 2 282.388 -0.463 20 0 CBADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C)[C@H](C)[NH3+])CC1 ZINC000568867213 354833851 /nfs/dbraw/zinc/83/38/51/354833851.db2.gz PAYRTEMBKFZXMY-RYUDHWBXSA-N 2 2 284.404 -0.360 20 0 CBADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](C)[C@H](C)[NH3+])CC1 ZINC000568867213 354833861 /nfs/dbraw/zinc/83/38/61/354833861.db2.gz PAYRTEMBKFZXMY-RYUDHWBXSA-N 2 2 284.404 -0.360 20 0 CBADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N(C)CCC[NH3+] ZINC000568535082 354827751 /nfs/dbraw/zinc/82/77/51/354827751.db2.gz QBDYAAVMMZAVKM-GFCCVEGCSA-N 2 2 271.409 -0.388 20 0 CBADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C)[C@@H](C)[NH3+])CC1 ZINC000568867211 354834134 /nfs/dbraw/zinc/83/41/34/354834134.db2.gz PAYRTEMBKFZXMY-NWDGAFQWSA-N 2 2 284.404 -0.360 20 0 CBADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](C)[C@@H](C)[NH3+])CC1 ZINC000568867211 354834135 /nfs/dbraw/zinc/83/41/35/354834135.db2.gz PAYRTEMBKFZXMY-NWDGAFQWSA-N 2 2 284.404 -0.360 20 0 CBADLP CCCNC(=O)[C@H](C)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000568654856 354829804 /nfs/dbraw/zinc/82/98/04/354829804.db2.gz YGFHFMCOTQXOCY-GARJFASQSA-N 2 2 268.361 -0.855 20 0 CBADLP CCCNC(=O)[C@H](C)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000568654856 354829807 /nfs/dbraw/zinc/82/98/07/354829807.db2.gz YGFHFMCOTQXOCY-GARJFASQSA-N 2 2 268.361 -0.855 20 0 CBADLP COC(=O)C[C@H]([NH3+])C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000567754857 354796550 /nfs/dbraw/zinc/79/65/50/354796550.db2.gz IKMAMANHISOLML-JTQLQIEISA-N 2 2 287.360 -0.896 20 0 CBADLP COC(=O)C[C@H]([NH3+])C(=O)NCC[N@H+]1CC=CCC1 ZINC000571677504 354877806 /nfs/dbraw/zinc/87/78/06/354877806.db2.gz ZDGWJFVGXDSVCL-JTQLQIEISA-N 2 2 255.318 -0.745 20 0 CBADLP COC(=O)C[C@H]([NH3+])C(=O)NCC[N@@H+]1CC=CCC1 ZINC000571677504 354877808 /nfs/dbraw/zinc/87/78/08/354877808.db2.gz ZDGWJFVGXDSVCL-JTQLQIEISA-N 2 2 255.318 -0.745 20 0 CBADLP [NH3+]CC12CCC(CC1)CN2C(=O)CN1CC[NH2+]CC1=O ZINC000568996006 354836241 /nfs/dbraw/zinc/83/62/41/354836241.db2.gz NXOBJMOPYWXMFI-UHFFFAOYSA-N 2 2 280.372 -0.852 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)NCCC[NH2+]C(C)C)CC1 ZINC000569699106 354844015 /nfs/dbraw/zinc/84/40/15/354844015.db2.gz GKUMLDLXFCJVPI-UHFFFAOYSA-N 2 2 284.404 -0.345 20 0 CBADLP C[NH+]1CCN(C(=O)CN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000569706462 354844341 /nfs/dbraw/zinc/84/43/41/354844341.db2.gz OPKHGHWNJWGPMG-UHFFFAOYSA-N 2 2 268.405 -0.214 20 0 CBADLP C[NH+]1CCN(C(=O)CN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000569706462 354844344 /nfs/dbraw/zinc/84/43/44/354844344.db2.gz OPKHGHWNJWGPMG-UHFFFAOYSA-N 2 2 268.405 -0.214 20 0 CBADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1CC[C@@H](S(=O)(=O)NC(C)C)C1 ZINC000569854577 354848581 /nfs/dbraw/zinc/84/85/81/354848581.db2.gz GCPFCUJDPCDYDC-VXGBXAGGSA-N 2 2 293.433 -0.641 20 0 CBADLP C[NH2+]C[C@@](C)(O)C[N@H+]1CC[C@@H](S(=O)(=O)NC(C)C)C1 ZINC000569854577 354848584 /nfs/dbraw/zinc/84/85/84/354848584.db2.gz GCPFCUJDPCDYDC-VXGBXAGGSA-N 2 2 293.433 -0.641 20 0 CBADLP CCS(=O)(=O)NCCC[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000569971708 354851894 /nfs/dbraw/zinc/85/18/94/354851894.db2.gz DEDOFTMSPKDXFJ-VXGBXAGGSA-N 2 2 275.418 0.000 20 0 CBADLP CCS(=O)(=O)NCCC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000569971708 354851896 /nfs/dbraw/zinc/85/18/96/354851896.db2.gz DEDOFTMSPKDXFJ-VXGBXAGGSA-N 2 2 275.418 0.000 20 0 CBADLP C[C@H](C(=O)N1CC[NH2+][C@@H](C)C1)[NH+]1CCN(C)CC1 ZINC000570046304 354852425 /nfs/dbraw/zinc/85/24/25/354852425.db2.gz NXUHDNRMIKZZGZ-NWDGAFQWSA-N 2 2 254.378 -0.557 20 0 CBADLP CN1C[C@@H]([N@H+](C)CC(=O)N2CC[NH+](C)CC2)CCC1=O ZINC000570104556 354854472 /nfs/dbraw/zinc/85/44/72/354854472.db2.gz LRUOUHIROHVQIA-LBPRGKRZSA-N 2 2 282.388 -0.687 20 0 CBADLP CN1C[C@@H]([N@@H+](C)CC(=O)N2CC[NH+](C)CC2)CCC1=O ZINC000570104556 354854475 /nfs/dbraw/zinc/85/44/75/354854475.db2.gz LRUOUHIROHVQIA-LBPRGKRZSA-N 2 2 282.388 -0.687 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)CC2(C[NH3+])CC2)CCO1 ZINC000570096538 354854819 /nfs/dbraw/zinc/85/48/19/354854819.db2.gz NVKDPHZIKMXJDO-LLVKDONJSA-N 2 2 255.362 -0.048 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)CC2(C[NH3+])CC2)CCO1 ZINC000570096538 354854825 /nfs/dbraw/zinc/85/48/25/354854825.db2.gz NVKDPHZIKMXJDO-LLVKDONJSA-N 2 2 255.362 -0.048 20 0 CBADLP CNC(=O)[C@@H](C)C[N@H+](C)C[C@H](O)C[NH+](C)CCOC ZINC000570103699 354855028 /nfs/dbraw/zinc/85/50/28/354855028.db2.gz BKYNRIXMKXFRRI-NWDGAFQWSA-N 2 2 275.393 -0.761 20 0 CBADLP CNC(=O)[C@@H](C)C[N@@H+](C)C[C@H](O)C[NH+](C)CCOC ZINC000570103699 354855033 /nfs/dbraw/zinc/85/50/33/354855033.db2.gz BKYNRIXMKXFRRI-NWDGAFQWSA-N 2 2 275.393 -0.761 20 0 CBADLP CNC(=O)[C@@H](C)C[NH+](C)C[C@H](O)C[N@H+](C)CCOC ZINC000570103699 354855035 /nfs/dbraw/zinc/85/50/35/354855035.db2.gz BKYNRIXMKXFRRI-NWDGAFQWSA-N 2 2 275.393 -0.761 20 0 CBADLP CNC(=O)[C@@H](C)C[NH+](C)C[C@H](O)C[N@@H+](C)CCOC ZINC000570103699 354855038 /nfs/dbraw/zinc/85/50/38/354855038.db2.gz BKYNRIXMKXFRRI-NWDGAFQWSA-N 2 2 275.393 -0.761 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000571762786 354878938 /nfs/dbraw/zinc/87/89/38/354878938.db2.gz MKADSGUPPLFQNW-QWRGUYRKSA-N 2 2 268.361 -0.854 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000571762786 354878940 /nfs/dbraw/zinc/87/89/40/354878940.db2.gz MKADSGUPPLFQNW-QWRGUYRKSA-N 2 2 268.361 -0.854 20 0 CBADLP CC(=O)N1CCC[C@H](C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])C1 ZINC000570278206 354859057 /nfs/dbraw/zinc/85/90/57/354859057.db2.gz QOEDVSOOGRHMQE-QWHCGFSZSA-N 2 2 282.388 -0.654 20 0 CBADLP CC(=O)N1CCC[C@H](C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])C1 ZINC000570278206 354859062 /nfs/dbraw/zinc/85/90/62/354859062.db2.gz QOEDVSOOGRHMQE-QWHCGFSZSA-N 2 2 282.388 -0.654 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)[C@@H]2CCC[NH2+]C2)CCO1 ZINC000570335230 354859458 /nfs/dbraw/zinc/85/94/58/354859458.db2.gz VWXPWEBJSQIZPJ-NWDGAFQWSA-N 2 2 255.362 -0.177 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)[C@@H]2CCC[NH2+]C2)CCO1 ZINC000570335230 354859459 /nfs/dbraw/zinc/85/94/59/354859459.db2.gz VWXPWEBJSQIZPJ-NWDGAFQWSA-N 2 2 255.362 -0.177 20 0 CBADLP C[C@H](C(=O)NCCC[NH2+]C1CC1)[NH+]1CCN(C)CC1 ZINC000570399995 354861188 /nfs/dbraw/zinc/86/11/88/354861188.db2.gz XYHGVVSAJNGKTJ-GFCCVEGCSA-N 2 2 268.405 -0.119 20 0 CBADLP CCC(=O)N1CCC[C@@H](C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])C1 ZINC000571919056 354883538 /nfs/dbraw/zinc/88/35/38/354883538.db2.gz WYKMIEMDEPFPMR-OLZOCXBDSA-N 2 2 296.415 -0.264 20 0 CBADLP CCC(=O)N1CCC[C@@H](C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])C1 ZINC000571919056 354883542 /nfs/dbraw/zinc/88/35/42/354883542.db2.gz WYKMIEMDEPFPMR-OLZOCXBDSA-N 2 2 296.415 -0.264 20 0 CBADLP O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000571941441 354884527 /nfs/dbraw/zinc/88/45/27/354884527.db2.gz MNLSINPNRGZWSG-RYUDHWBXSA-N 2 2 291.355 -0.648 20 0 CBADLP COC(=O)c1cc(CN2CC[N@H+](C)C[C@H]2C[NH3+])c[nH]1 ZINC000572001551 354885346 /nfs/dbraw/zinc/88/53/46/354885346.db2.gz IZGJSEFDZGTNSW-LLVKDONJSA-N 2 2 266.345 -0.124 20 0 CBADLP COC(=O)c1cc(CN2CC[N@@H+](C)C[C@H]2C[NH3+])c[nH]1 ZINC000572001551 354885348 /nfs/dbraw/zinc/88/53/48/354885348.db2.gz IZGJSEFDZGTNSW-LLVKDONJSA-N 2 2 266.345 -0.124 20 0 CBADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000572347027 354891456 /nfs/dbraw/zinc/89/14/56/354891456.db2.gz PJZQAOBAAWISGX-TUAOUCFPSA-N 3 2 254.378 -0.524 20 0 CBADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000572347027 354891459 /nfs/dbraw/zinc/89/14/59/354891459.db2.gz PJZQAOBAAWISGX-TUAOUCFPSA-N 3 2 254.378 -0.524 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NC[C@H]([NH3+])C(C)C ZINC000572481211 354892013 /nfs/dbraw/zinc/89/20/13/354892013.db2.gz XUEMWXWXCJZXIW-NSHDSACASA-N 2 2 272.393 -0.458 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NC[C@H]([NH3+])C(C)C ZINC000572481211 354892017 /nfs/dbraw/zinc/89/20/17/354892017.db2.gz XUEMWXWXCJZXIW-NSHDSACASA-N 2 2 272.393 -0.458 20 0 CBADLP CCNC(=O)CCCC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000572480948 354892409 /nfs/dbraw/zinc/89/24/09/354892409.db2.gz GENGVQITYXIEDR-LLVKDONJSA-N 2 2 270.377 -0.606 20 0 CBADLP CCNC(=O)CCCC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000572480948 354892413 /nfs/dbraw/zinc/89/24/13/354892413.db2.gz GENGVQITYXIEDR-LLVKDONJSA-N 2 2 270.377 -0.606 20 0 CBADLP CC[C@H]1C[N@H+](C)CCN1C[C@H](O)C[NH+]1CCOCC1 ZINC000572633948 354894465 /nfs/dbraw/zinc/89/44/65/354894465.db2.gz ULERLBIJZXFSFM-UONOGXRCSA-N 2 2 271.405 -0.295 20 0 CBADLP CC[C@H]1C[N@@H+](C)CCN1C[C@H](O)C[NH+]1CCOCC1 ZINC000572633948 354894466 /nfs/dbraw/zinc/89/44/66/354894466.db2.gz ULERLBIJZXFSFM-UONOGXRCSA-N 2 2 271.405 -0.295 20 0 CBADLP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000572749322 354896593 /nfs/dbraw/zinc/89/65/93/354896593.db2.gz UWLXICBIALVQQO-UKRRQHHQSA-N 3 2 290.411 -0.034 20 0 CBADLP C[C@H](C(=O)N1CC[N@H+](CCO)C[C@@H]1C)[NH+]1CC(C)C1 ZINC000572780550 354898262 /nfs/dbraw/zinc/89/82/62/354898262.db2.gz NWWYMWFGGBRGJR-QWHCGFSZSA-N 2 2 269.389 -0.148 20 0 CBADLP C[C@H](C(=O)N1CC[N@@H+](CCO)C[C@@H]1C)[NH+]1CC(C)C1 ZINC000572780550 354898264 /nfs/dbraw/zinc/89/82/64/354898264.db2.gz NWWYMWFGGBRGJR-QWHCGFSZSA-N 2 2 269.389 -0.148 20 0 CBADLP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000572842567 354898877 /nfs/dbraw/zinc/89/88/77/354898877.db2.gz JRVNWQNJDWCDCZ-DCAQKATOSA-N 2 2 281.360 -0.370 20 0 CBADLP CC[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+](CC(=O)OC)C1 ZINC000573204073 354906625 /nfs/dbraw/zinc/90/66/25/354906625.db2.gz GOKRHTTZRXZOKH-GHMZBOCLSA-N 2 2 271.361 -0.275 20 0 CBADLP CC[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+](CC(=O)OC)C1 ZINC000573204073 354906627 /nfs/dbraw/zinc/90/66/27/354906627.db2.gz GOKRHTTZRXZOKH-GHMZBOCLSA-N 2 2 271.361 -0.275 20 0 CBADLP C[C@H]([NH3+])C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000571801970 354880917 /nfs/dbraw/zinc/88/09/17/354880917.db2.gz BEAVUMFLDQGBOD-AVGNSLFASA-N 3 2 268.405 -0.086 20 0 CBADLP C[C@H]([NH3+])C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000571801970 354880920 /nfs/dbraw/zinc/88/09/20/354880920.db2.gz BEAVUMFLDQGBOD-AVGNSLFASA-N 3 2 268.405 -0.086 20 0 CBADLP CN1CC[C@H]([N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1=O ZINC000571802533 354881191 /nfs/dbraw/zinc/88/11/91/354881191.db2.gz WFBBNXPDXHCVHA-NEPJUHHUSA-N 2 2 280.372 -0.887 20 0 CBADLP CN1CC[C@H]([N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1=O ZINC000571802533 354881194 /nfs/dbraw/zinc/88/11/94/354881194.db2.gz WFBBNXPDXHCVHA-NEPJUHHUSA-N 2 2 280.372 -0.887 20 0 CBADLP C[C@@H](C(=O)N1CC[NH2+]C[C@H]1C(F)F)N1CC[NH+](C)CC1 ZINC000573728036 354920024 /nfs/dbraw/zinc/92/00/24/354920024.db2.gz VTNXQUSGQZIKFE-QWRGUYRKSA-N 2 2 290.358 -0.312 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000573740146 354920688 /nfs/dbraw/zinc/92/06/88/354920688.db2.gz FLLVRMIYZXRVIK-VXGBXAGGSA-N 2 2 283.376 -0.467 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000573740146 354920690 /nfs/dbraw/zinc/92/06/90/354920690.db2.gz FLLVRMIYZXRVIK-VXGBXAGGSA-N 2 2 283.376 -0.467 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000573740146 354920693 /nfs/dbraw/zinc/92/06/93/354920693.db2.gz FLLVRMIYZXRVIK-VXGBXAGGSA-N 2 2 283.376 -0.467 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000573740146 354920695 /nfs/dbraw/zinc/92/06/95/354920695.db2.gz FLLVRMIYZXRVIK-VXGBXAGGSA-N 2 2 283.376 -0.467 20 0 CBADLP C[N@H+]1CCN(C(=O)CCCN2C(=O)CCC2=O)[C@H](C[NH3+])C1 ZINC000574079142 354928178 /nfs/dbraw/zinc/92/81/78/354928178.db2.gz KDVDLWYAHCVWRV-LLVKDONJSA-N 2 2 296.371 -0.983 20 0 CBADLP CC[C@H](CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])OC ZINC000578226906 354941980 /nfs/dbraw/zinc/94/19/80/354941980.db2.gz PQTZAIOHLQWKOL-GHMZBOCLSA-N 2 2 258.366 -0.304 20 0 CBADLP CC[C@H](CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])OC ZINC000578226906 354941983 /nfs/dbraw/zinc/94/19/83/354941983.db2.gz PQTZAIOHLQWKOL-GHMZBOCLSA-N 2 2 258.366 -0.304 20 0 CBADLP C[NH+](C[C@@H](O)C[N@H+](C)CCN1CCCC1=O)C1CC1 ZINC000578265437 354942732 /nfs/dbraw/zinc/94/27/32/354942732.db2.gz NLWLFYAXQSVQBP-ZDUSSCGKSA-N 2 2 269.389 -0.004 20 0 CBADLP C[NH+](C[C@@H](O)C[N@@H+](C)CCN1CCCC1=O)C1CC1 ZINC000578265437 354942738 /nfs/dbraw/zinc/94/27/38/354942738.db2.gz NLWLFYAXQSVQBP-ZDUSSCGKSA-N 2 2 269.389 -0.004 20 0 CBADLP C[NH+](CCN1CCCC1=O)C[C@H](O)C[N@H+](C)C1CC1 ZINC000578265437 354942742 /nfs/dbraw/zinc/94/27/42/354942742.db2.gz NLWLFYAXQSVQBP-ZDUSSCGKSA-N 2 2 269.389 -0.004 20 0 CBADLP C[NH+](CCN1CCCC1=O)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000578265437 354942748 /nfs/dbraw/zinc/94/27/48/354942748.db2.gz NLWLFYAXQSVQBP-ZDUSSCGKSA-N 2 2 269.389 -0.004 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000578659123 354951942 /nfs/dbraw/zinc/95/19/42/354951942.db2.gz DFJUCOWYTVGHPI-RDBSUJKOSA-N 2 2 269.389 -0.230 20 0 CBADLP Cc1cc(NC(=O)N2CCN(C)C[C@@H]2C[NH3+])cc[nH+]1 ZINC000578846696 354955607 /nfs/dbraw/zinc/95/56/07/354955607.db2.gz QCKXCMHJYZUJCW-LBPRGKRZSA-N 2 2 263.345 -0.081 20 0 CBADLP Cc1nc(N2CCN(C(=O)C3([NH3+])CC3)CC2)cc[nH+]1 ZINC000579008722 354959727 /nfs/dbraw/zinc/95/97/27/354959727.db2.gz VPRZCKTVEPWFPR-UHFFFAOYSA-N 2 2 261.329 -0.075 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)C[NH2+]CC2CC2)CCO1 ZINC000579126003 354962724 /nfs/dbraw/zinc/96/27/24/354962724.db2.gz UUYSKTJBRGIOHX-LLVKDONJSA-N 2 2 255.362 -0.177 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)C[NH2+]CC2CC2)CCO1 ZINC000579126003 354962727 /nfs/dbraw/zinc/96/27/27/354962727.db2.gz UUYSKTJBRGIOHX-LLVKDONJSA-N 2 2 255.362 -0.177 20 0 CBADLP C[NH+](C)C1(CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])CCC1 ZINC000579333269 354967128 /nfs/dbraw/zinc/96/71/28/354967128.db2.gz WTUGTEKFUQEXOH-LBPRGKRZSA-N 3 2 283.420 -0.245 20 0 CBADLP C[NH+](C)C1(CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])CCC1 ZINC000579333269 354967131 /nfs/dbraw/zinc/96/71/31/354967131.db2.gz WTUGTEKFUQEXOH-LBPRGKRZSA-N 3 2 283.420 -0.245 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@H](C)CCC[NH3+] ZINC000579352912 354967927 /nfs/dbraw/zinc/96/79/27/354967927.db2.gz LVORWFLCIIEBHU-LLVKDONJSA-N 2 2 272.393 -0.314 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@H](C)CCC[NH3+] ZINC000579352912 354967930 /nfs/dbraw/zinc/96/79/30/354967930.db2.gz LVORWFLCIIEBHU-LLVKDONJSA-N 2 2 272.393 -0.314 20 0 CBADLP COC(=O)CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000579370547 354969240 /nfs/dbraw/zinc/96/92/40/354969240.db2.gz LQVCYFSWWIFOPM-MNOVXSKESA-N 2 2 294.355 -0.113 20 0 CBADLP COC(=O)CNC(=O)[C@@H](C)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000579370547 354969243 /nfs/dbraw/zinc/96/92/43/354969243.db2.gz LQVCYFSWWIFOPM-MNOVXSKESA-N 2 2 294.355 -0.113 20 0 CBADLP C[NH2+][C@@H]1CCN(C(=O)[C@H](C)[NH+]2CCN(C)CC2)C1 ZINC000579474794 354971383 /nfs/dbraw/zinc/97/13/83/354971383.db2.gz OCUFXJGLPCQNLE-NWDGAFQWSA-N 2 2 254.378 -0.557 20 0 CBADLP C[NH2+]CCC(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000580070337 354987077 /nfs/dbraw/zinc/98/70/77/354987077.db2.gz AVEWFCJMBPQSKD-UHFFFAOYSA-N 2 2 265.361 -0.326 20 0 CBADLP CC(CC[NH+]1CCNC(=O)C1)CC[N@@H+]1CCNC(=O)C1 ZINC000580166151 354989129 /nfs/dbraw/zinc/98/91/29/354989129.db2.gz SCOQNDYOACWXPX-UHFFFAOYSA-N 2 2 282.388 -0.734 20 0 CBADLP CC(CC[NH+]1CCNC(=O)C1)CC[N@H+]1CCNC(=O)C1 ZINC000580166151 354989130 /nfs/dbraw/zinc/98/91/30/354989130.db2.gz SCOQNDYOACWXPX-UHFFFAOYSA-N 2 2 282.388 -0.734 20 0 CBADLP [NH3+]CC[C@@H]1CCCCN1C(=O)CN1CC[NH2+]CC1=O ZINC000580300480 354991924 /nfs/dbraw/zinc/99/19/24/354991924.db2.gz RNLNNSLLEMSLCN-NSHDSACASA-N 2 2 268.361 -0.852 20 0 CBADLP CO[C@H](C[NH3+])C(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1 ZINC000580832710 354999532 /nfs/dbraw/zinc/99/95/32/354999532.db2.gz VKBTXPBHDXBMRZ-WDEREUQCSA-N 2 2 281.360 -0.791 20 0 CBADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CC[NH+](C3CC3)C2)[C@H](C[NH3+])C1 ZINC000584519393 355030813 /nfs/dbraw/zinc/03/08/13/355030813.db2.gz HMVKFYNNQVCAMP-DGCLKSJQSA-N 3 2 281.404 -0.493 20 0 CBADLP C[N@H+]1CCN(C(=O)N[C@@H]2CC[NH+](C3CC3)C2)[C@H](C[NH3+])C1 ZINC000584519393 355030816 /nfs/dbraw/zinc/03/08/16/355030816.db2.gz HMVKFYNNQVCAMP-DGCLKSJQSA-N 3 2 281.404 -0.493 20 0 CBADLP C[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)[C@H](C[NH3+])C1 ZINC000584519393 355030818 /nfs/dbraw/zinc/03/08/18/355030818.db2.gz HMVKFYNNQVCAMP-DGCLKSJQSA-N 3 2 281.404 -0.493 20 0 CBADLP C[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)[C@H](C[NH3+])C1 ZINC000584519393 355030821 /nfs/dbraw/zinc/03/08/21/355030821.db2.gz HMVKFYNNQVCAMP-DGCLKSJQSA-N 3 2 281.404 -0.493 20 0 CBADLP CC(C)C[C@@H]([NH3+])C[NH2+][C@H]1CCN(S(C)(=O)=O)C1 ZINC000584622892 355033627 /nfs/dbraw/zinc/03/36/27/355033627.db2.gz SMMKKMIUCXIPKT-MNOVXSKESA-N 2 2 263.407 -0.017 20 0 CBADLP C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000584837796 355040058 /nfs/dbraw/zinc/04/00/58/355040058.db2.gz JYYNAZCVDPNZJE-MNOVXSKESA-N 2 2 282.388 -0.608 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000581020663 355004434 /nfs/dbraw/zinc/00/44/34/355004434.db2.gz ZNHLILOWPCTUJD-TZMCWYRMSA-N 2 2 285.388 -0.863 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000581020663 355004438 /nfs/dbraw/zinc/00/44/38/355004438.db2.gz ZNHLILOWPCTUJD-TZMCWYRMSA-N 2 2 285.388 -0.863 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000581020663 355004440 /nfs/dbraw/zinc/00/44/40/355004440.db2.gz ZNHLILOWPCTUJD-TZMCWYRMSA-N 2 2 285.388 -0.863 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000581020663 355004444 /nfs/dbraw/zinc/00/44/44/355004444.db2.gz ZNHLILOWPCTUJD-TZMCWYRMSA-N 2 2 285.388 -0.863 20 0 CBADLP Cn1cccc(C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c1=O ZINC000582061187 355006652 /nfs/dbraw/zinc/00/66/52/355006652.db2.gz DKRKQOKYOWCROZ-JTQLQIEISA-N 2 2 264.329 -0.900 20 0 CBADLP Cn1cccc(C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c1=O ZINC000582061187 355006654 /nfs/dbraw/zinc/00/66/54/355006654.db2.gz DKRKQOKYOWCROZ-JTQLQIEISA-N 2 2 264.329 -0.900 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]([NH3+])C2CCC2)CCO1 ZINC000582243749 355011464 /nfs/dbraw/zinc/01/14/64/355011464.db2.gz WOFPSLKSINXTHT-ZYHUDNBSSA-N 2 2 255.362 -0.049 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]([NH3+])C2CCC2)CCO1 ZINC000582243749 355011468 /nfs/dbraw/zinc/01/14/68/355011468.db2.gz WOFPSLKSINXTHT-ZYHUDNBSSA-N 2 2 255.362 -0.049 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]([NH3+])C2CCC2)CCO1 ZINC000582243748 355012148 /nfs/dbraw/zinc/01/21/48/355012148.db2.gz WOFPSLKSINXTHT-PWSUYJOCSA-N 2 2 255.362 -0.049 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]([NH3+])C2CCC2)CCO1 ZINC000582243748 355012150 /nfs/dbraw/zinc/01/21/50/355012150.db2.gz WOFPSLKSINXTHT-PWSUYJOCSA-N 2 2 255.362 -0.049 20 0 CBADLP COC(=O)[C@@H]1C[C@H](OC)C[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000583995139 355025921 /nfs/dbraw/zinc/02/59/21/355025921.db2.gz KZZMDTWVQPGENG-RYUDHWBXSA-N 2 2 299.371 -0.929 20 0 CBADLP COC(=O)[C@@H]1C[C@H](OC)C[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000583995139 355025925 /nfs/dbraw/zinc/02/59/25/355025925.db2.gz KZZMDTWVQPGENG-RYUDHWBXSA-N 2 2 299.371 -0.929 20 0 CBADLP C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000583993194 355026137 /nfs/dbraw/zinc/02/61/37/355026137.db2.gz FRRNADPBJNLVET-MNOVXSKESA-N 2 2 284.404 -0.362 20 0 CBADLP C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000583993194 355026138 /nfs/dbraw/zinc/02/61/38/355026138.db2.gz FRRNADPBJNLVET-MNOVXSKESA-N 2 2 284.404 -0.362 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CC[NH+](C)C2)CCO1 ZINC000591452723 355095101 /nfs/dbraw/zinc/09/51/01/355095101.db2.gz OIRHCXGCRWHBHJ-VXGBXAGGSA-N 2 2 255.362 -0.225 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2CC[NH+](C)C2)CCO1 ZINC000591452723 355095104 /nfs/dbraw/zinc/09/51/04/355095104.db2.gz OIRHCXGCRWHBHJ-VXGBXAGGSA-N 2 2 255.362 -0.225 20 0 CBADLP C[C@@H]1C[NH+](CCNC(=O)[C@@H]2CC[N@H+](C)C2)CCO1 ZINC000591452723 355095108 /nfs/dbraw/zinc/09/51/08/355095108.db2.gz OIRHCXGCRWHBHJ-VXGBXAGGSA-N 2 2 255.362 -0.225 20 0 CBADLP C[C@@H]1C[NH+](CCNC(=O)[C@@H]2CC[N@@H+](C)C2)CCO1 ZINC000591452723 355095111 /nfs/dbraw/zinc/09/51/11/355095111.db2.gz OIRHCXGCRWHBHJ-VXGBXAGGSA-N 2 2 255.362 -0.225 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000591432824 355095521 /nfs/dbraw/zinc/09/55/21/355095521.db2.gz YCNCQOSJVLTZAH-CYBMUJFWSA-N 2 2 282.388 -0.782 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000591432824 355095522 /nfs/dbraw/zinc/09/55/22/355095522.db2.gz YCNCQOSJVLTZAH-CYBMUJFWSA-N 2 2 282.388 -0.782 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)NCCC[NH+](C)C ZINC000591538710 355096279 /nfs/dbraw/zinc/09/62/79/355096279.db2.gz LMXHSCPOHMIRBU-LBPRGKRZSA-N 2 2 272.393 -0.042 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)NCCC[NH+](C)C ZINC000591538710 355096280 /nfs/dbraw/zinc/09/62/80/355096280.db2.gz LMXHSCPOHMIRBU-LBPRGKRZSA-N 2 2 272.393 -0.042 20 0 CBADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C[C@@H]1C ZINC000592565882 355165365 /nfs/dbraw/zinc/16/53/65/355165365.db2.gz AQLWMLKETVCHLJ-LOWDOPEQSA-N 2 2 295.383 -0.167 20 0 CBADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C[C@@H]1C ZINC000592565882 355165369 /nfs/dbraw/zinc/16/53/69/355165369.db2.gz AQLWMLKETVCHLJ-LOWDOPEQSA-N 2 2 295.383 -0.167 20 0 CBADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C[C@H]1C ZINC000592565883 355165545 /nfs/dbraw/zinc/16/55/45/355165545.db2.gz AQLWMLKETVCHLJ-LPWJVIDDSA-N 2 2 295.383 -0.167 20 0 CBADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C[C@H]1C ZINC000592565883 355165546 /nfs/dbraw/zinc/16/55/46/355165546.db2.gz AQLWMLKETVCHLJ-LPWJVIDDSA-N 2 2 295.383 -0.167 20 0 CBADLP COC(=O)C[C@H]([NH3+])C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000592229088 355144742 /nfs/dbraw/zinc/14/47/42/355144742.db2.gz JARHEDWKXZLOLL-QWRGUYRKSA-N 2 2 292.339 -0.333 20 0 CBADLP COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)C[NH2+]C2CC2)C1 ZINC000592278437 355146375 /nfs/dbraw/zinc/14/63/75/355146375.db2.gz VAQRHYVCNSAIIF-NSHDSACASA-N 2 2 283.372 -0.260 20 0 CBADLP COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)C[NH2+]C2CC2)C1 ZINC000592278437 355146376 /nfs/dbraw/zinc/14/63/76/355146376.db2.gz VAQRHYVCNSAIIF-NSHDSACASA-N 2 2 283.372 -0.260 20 0 CBADLP COC(=O)CN(C)C(=O)CC[N@@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000592475248 355156049 /nfs/dbraw/zinc/15/60/49/355156049.db2.gz FKHRJKMKPHBXGE-MNOVXSKESA-N 2 2 287.360 -0.944 20 0 CBADLP COC(=O)CN(C)C(=O)CC[N@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000592475248 355156055 /nfs/dbraw/zinc/15/60/55/355156055.db2.gz FKHRJKMKPHBXGE-MNOVXSKESA-N 2 2 287.360 -0.944 20 0 CBADLP COC[C@@H](C)NC(=O)NC(=O)C[NH+]1CCC(C)([NH3+])CC1 ZINC000592484406 355156139 /nfs/dbraw/zinc/15/61/39/355156139.db2.gz AWUALMHPOOBXGW-SNVBAGLBSA-N 2 2 286.376 -0.340 20 0 CBADLP COC[C@@H](C)NC(=O)NC(=O)C[N@H+](C)CCC[NH3+] ZINC000592473652 355156325 /nfs/dbraw/zinc/15/63/25/355156325.db2.gz MDKAITAYZTXEIP-SECBINFHSA-N 2 2 260.338 -0.872 20 0 CBADLP COC[C@@H](C)NC(=O)NC(=O)C[N@@H+](C)CCC[NH3+] ZINC000592473652 355156328 /nfs/dbraw/zinc/15/63/28/355156328.db2.gz MDKAITAYZTXEIP-SECBINFHSA-N 2 2 260.338 -0.872 20 0 CBADLP COC(=O)CN(CC[NH+]1CCOCC1)C[C@@H]1CC[NH2+]C1 ZINC000592493244 355158038 /nfs/dbraw/zinc/15/80/38/355158038.db2.gz ATQZQZDLTZGTEJ-CYBMUJFWSA-N 2 2 285.388 -0.597 20 0 CBADLP COC(=O)CN(CC[NH+]1CCOCC1)C[C@H]1CC[NH2+]C1 ZINC000592493247 355158483 /nfs/dbraw/zinc/15/84/83/355158483.db2.gz ATQZQZDLTZGTEJ-ZDUSSCGKSA-N 2 2 285.388 -0.597 20 0 CBADLP COC(=O)C1(NC(=O)[C@H]([NH3+])CC[NH+](C)C)CCCC1 ZINC000593901267 355225907 /nfs/dbraw/zinc/22/59/07/355225907.db2.gz DJNFCQFEAAKOHJ-SNVBAGLBSA-N 2 2 271.361 -0.133 20 0 CBADLP COC(=O)[C@@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)C(C)C ZINC000593901195 355226217 /nfs/dbraw/zinc/22/62/17/355226217.db2.gz AXVUFGFTQUREHZ-ZJUUUORDSA-N 2 2 259.350 -0.421 20 0 CBADLP CC[C@@](C)(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C(=O)OC ZINC000593903671 355226449 /nfs/dbraw/zinc/22/64/49/355226449.db2.gz JLDYAPRJMHAPJN-JOYOIKCWSA-N 2 2 259.350 -0.277 20 0 CBADLP COC(=O)[C@@H](CC(C)C)NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000593901788 355226473 /nfs/dbraw/zinc/22/64/73/355226473.db2.gz IMEUVGOGGHKUKM-GHMZBOCLSA-N 2 2 273.377 -0.031 20 0 CBADLP COC(=O)[C@@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C(C)C ZINC000593901192 355226514 /nfs/dbraw/zinc/22/65/14/355226514.db2.gz AXVUFGFTQUREHZ-UWVGGRQHSA-N 2 2 259.350 -0.421 20 0 CBADLP CCOC(=O)[C@H]1CCCN1C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000593907142 355227119 /nfs/dbraw/zinc/22/71/19/355227119.db2.gz MWDCKYLJMMKIKY-GHMZBOCLSA-N 2 2 271.361 -0.181 20 0 CBADLP COC(=O)[C@@H](C)CN(C)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000593907953 355228337 /nfs/dbraw/zinc/22/83/37/355228337.db2.gz WHRFYIYXZNPVOK-UWVGGRQHSA-N 2 2 259.350 -0.467 20 0 CBADLP C[NH2+][C@@H](C)C(=O)N1CC[NH+]([C@@H](C)CC(=O)OC)CC1 ZINC000594438872 355247748 /nfs/dbraw/zinc/24/77/48/355247748.db2.gz XUHXLCCWPCIMFG-QWRGUYRKSA-N 2 2 271.361 -0.310 20 0 CBADLP COC(=O)c1ccc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)o1 ZINC000594736416 355258869 /nfs/dbraw/zinc/25/88/69/355258869.db2.gz HKGSNTCHVCLJJR-KOLCDFICSA-N 2 2 293.323 -0.190 20 0 CBADLP COC(=O)c1ccc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)o1 ZINC000594736416 355258871 /nfs/dbraw/zinc/25/88/71/355258871.db2.gz HKGSNTCHVCLJJR-KOLCDFICSA-N 2 2 293.323 -0.190 20 0 CBADLP [NH3+][C@H]1C[C@@H]2C[N@H+](Cc3cnc4cnccn34)CCN2C1=O ZINC000594736359 355258935 /nfs/dbraw/zinc/25/89/35/355258935.db2.gz CYITYQUHRGYRJT-PWSUYJOCSA-N 2 2 286.339 -0.527 20 0 CBADLP [NH3+][C@H]1C[C@@H]2C[N@@H+](Cc3cnc4cnccn34)CCN2C1=O ZINC000594736359 355258939 /nfs/dbraw/zinc/25/89/39/355258939.db2.gz CYITYQUHRGYRJT-PWSUYJOCSA-N 2 2 286.339 -0.527 20 0 CBADLP CCC[N@H+](CC(=O)N1CCNC(=O)C1)C1CC[NH2+]CC1 ZINC000431081658 283092331 /nfs/dbraw/zinc/09/23/31/283092331.db2.gz GCMSXVLAHHZEJV-UHFFFAOYSA-N 2 2 282.388 -0.591 20 0 CBADLP CCC[N@@H+](CC(=O)N1CCNC(=O)C1)C1CC[NH2+]CC1 ZINC000431081658 283092332 /nfs/dbraw/zinc/09/23/32/283092332.db2.gz GCMSXVLAHHZEJV-UHFFFAOYSA-N 2 2 282.388 -0.591 20 0 CBADLP Cc1cc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)nc(C)n1 ZINC000594876048 355265714 /nfs/dbraw/zinc/26/57/14/355265714.db2.gz AUNSTVCWEUTBIV-STQMWFEESA-N 2 2 275.356 -0.163 20 0 CBADLP Cc1cc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)nc(C)n1 ZINC000594876048 355265716 /nfs/dbraw/zinc/26/57/16/355265716.db2.gz AUNSTVCWEUTBIV-STQMWFEESA-N 2 2 275.356 -0.163 20 0 CBADLP [NH3+][C@@H]1C[C@H]2C[N@H+](CCO[C@H]3CC3(F)F)CCN2C1=O ZINC000594876041 355266424 /nfs/dbraw/zinc/26/64/24/355266424.db2.gz AHSVNUNQODRBTB-AEJSXWLSSA-N 2 2 275.299 -0.346 20 0 CBADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](CCO[C@H]3CC3(F)F)CCN2C1=O ZINC000594876041 355266425 /nfs/dbraw/zinc/26/64/25/355266425.db2.gz AHSVNUNQODRBTB-AEJSXWLSSA-N 2 2 275.299 -0.346 20 0 CBADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](CC(=O)N3CCCCCC3)CCN2C1=O ZINC000594873954 355266470 /nfs/dbraw/zinc/26/64/70/355266470.db2.gz XFXRRYAXGRTSLM-CHWSQXEVSA-N 2 2 294.399 -0.367 20 0 CBADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](CC(=O)N3CCCCCC3)CCN2C1=O ZINC000594873954 355266473 /nfs/dbraw/zinc/26/64/73/355266473.db2.gz XFXRRYAXGRTSLM-CHWSQXEVSA-N 2 2 294.399 -0.367 20 0 CBADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CC(=O)NC(N)=O)C2 ZINC000595507996 355290611 /nfs/dbraw/zinc/29/06/11/355290611.db2.gz STFQAPVSYQUHBI-GFCCVEGCSA-N 2 2 254.334 -0.401 20 0 CBADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CC(=O)NC(N)=O)C2 ZINC000595507996 355290612 /nfs/dbraw/zinc/29/06/12/355290612.db2.gz STFQAPVSYQUHBI-GFCCVEGCSA-N 2 2 254.334 -0.401 20 0 CBADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CC(=O)NC(N)=O)C2 ZINC000595507996 355290616 /nfs/dbraw/zinc/29/06/16/355290616.db2.gz STFQAPVSYQUHBI-GFCCVEGCSA-N 2 2 254.334 -0.401 20 0 CBADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CC(=O)NC(N)=O)C2 ZINC000595507996 355290620 /nfs/dbraw/zinc/29/06/20/355290620.db2.gz STFQAPVSYQUHBI-GFCCVEGCSA-N 2 2 254.334 -0.401 20 0 CBADLP COC(=O)[C@H]1C[C@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000595983054 355334984 /nfs/dbraw/zinc/33/49/84/355334984.db2.gz MYRDWZGOWAUPNO-OPRDCNLKSA-N 2 2 257.334 -0.667 20 0 CBADLP COC(=O)[C@H]1C[C@@H](N(C)C(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000595985869 355335437 /nfs/dbraw/zinc/33/54/37/355335437.db2.gz DUBRKGADDLQXHN-OUAUKWLOSA-N 2 2 271.361 -0.325 20 0 CBADLP COC(=O)[C@H]1C[C@@H](N(C)C(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000595985868 355335634 /nfs/dbraw/zinc/33/56/34/355335634.db2.gz DUBRKGADDLQXHN-AXFHLTTASA-N 2 2 271.361 -0.325 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)[C@H]1C[C@@H](C(=O)OC)C1 ZINC000595856174 355311476 /nfs/dbraw/zinc/31/14/76/355311476.db2.gz JLGUEASJPUFNOB-XQQFMLRXSA-N 2 2 288.388 -0.191 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)[C@H]1C[C@@H](C(=O)OC)C1 ZINC000595856174 355311478 /nfs/dbraw/zinc/31/14/78/355311478.db2.gz JLGUEASJPUFNOB-XQQFMLRXSA-N 2 2 288.388 -0.191 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)[C@H]1C[C@@H](C(=O)OC)C1 ZINC000595856174 355311481 /nfs/dbraw/zinc/31/14/81/355311481.db2.gz JLGUEASJPUFNOB-XQQFMLRXSA-N 2 2 288.388 -0.191 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)[C@H]1C[C@@H](C(=O)OC)C1 ZINC000595856174 355311484 /nfs/dbraw/zinc/31/14/84/355311484.db2.gz JLGUEASJPUFNOB-XQQFMLRXSA-N 2 2 288.388 -0.191 20 0 CBADLP COC(=O)CCN1CCC[C@@H]([N@@H+]2CCC[NH2+]CC2)C1=O ZINC000595886992 355313344 /nfs/dbraw/zinc/31/33/44/355313344.db2.gz BHIYJPZJSTYQSG-GFCCVEGCSA-N 2 2 283.372 -0.164 20 0 CBADLP COC(=O)CCN1CCC[C@@H]([N@H+]2CCC[NH2+]CC2)C1=O ZINC000595886992 355313346 /nfs/dbraw/zinc/31/33/46/355313346.db2.gz BHIYJPZJSTYQSG-GFCCVEGCSA-N 2 2 283.372 -0.164 20 0 CBADLP COC(=O)CCN1CCC[C@H]([N@@H+]2CCC[NH2+]CC2)C1=O ZINC000595886993 355313819 /nfs/dbraw/zinc/31/38/19/355313819.db2.gz BHIYJPZJSTYQSG-LBPRGKRZSA-N 2 2 283.372 -0.164 20 0 CBADLP COC(=O)CCN1CCC[C@H]([N@H+]2CCC[NH2+]CC2)C1=O ZINC000595886993 355313822 /nfs/dbraw/zinc/31/38/22/355313822.db2.gz BHIYJPZJSTYQSG-LBPRGKRZSA-N 2 2 283.372 -0.164 20 0 CBADLP COC(=O)CCN1CC[C@@H]([NH2+]CC2([NH3+])CCC2)C1=O ZINC000595888410 355314459 /nfs/dbraw/zinc/31/44/59/355314459.db2.gz LPSQQPXEZLFPCB-SNVBAGLBSA-N 2 2 269.345 -0.379 20 0 CBADLP COC(=O)[C@@H]1C[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000595891632 355314789 /nfs/dbraw/zinc/31/47/89/355314789.db2.gz JJPPQJSTGKMWHU-QWRGUYRKSA-N 2 2 270.329 -0.619 20 0 CBADLP COC(=O)[C@@H]1C[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000595891632 355314793 /nfs/dbraw/zinc/31/47/93/355314793.db2.gz JJPPQJSTGKMWHU-QWRGUYRKSA-N 2 2 270.329 -0.619 20 0 CBADLP COC(=O)CCN1CC[C@H]([NH+]2CCC([NH3+])CC2)C1=O ZINC000595894152 355315671 /nfs/dbraw/zinc/31/56/71/355315671.db2.gz SBHUYINYIRXROY-NSHDSACASA-N 2 2 269.345 -0.427 20 0 CBADLP Cn1c[nH+]cc1CCC[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000595903265 355316387 /nfs/dbraw/zinc/31/63/87/355316387.db2.gz QDPKCVNQFHRFQT-QWHCGFSZSA-N 3 2 277.372 -0.404 20 0 CBADLP Cn1c[nH+]cc1CCC[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000595903265 355316393 /nfs/dbraw/zinc/31/63/93/355316393.db2.gz QDPKCVNQFHRFQT-QWHCGFSZSA-N 3 2 277.372 -0.404 20 0 CBADLP Cn1cncc1CCC[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000595903265 355316397 /nfs/dbraw/zinc/31/63/97/355316397.db2.gz QDPKCVNQFHRFQT-QWHCGFSZSA-N 2 2 277.372 -0.404 20 0 CBADLP Cn1cncc1CCC[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000595903265 355316402 /nfs/dbraw/zinc/31/64/02/355316402.db2.gz QDPKCVNQFHRFQT-QWHCGFSZSA-N 2 2 277.372 -0.404 20 0 CBADLP CCc1nocc1C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000595903312 355316598 /nfs/dbraw/zinc/31/65/98/355316598.db2.gz TXOWXPRFNOVPCW-QWRGUYRKSA-N 2 2 264.329 -0.019 20 0 CBADLP CCc1nocc1C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000595903312 355316600 /nfs/dbraw/zinc/31/66/00/355316600.db2.gz TXOWXPRFNOVPCW-QWRGUYRKSA-N 2 2 264.329 -0.019 20 0 CBADLP CCOC(=O)C12CC(C1)C[N@@H+]2CCN1CC[NH2+]CC1 ZINC000595904564 355317831 /nfs/dbraw/zinc/31/78/31/355317831.db2.gz GMZYPLVKJXNMTG-UHFFFAOYSA-N 2 2 267.373 -0.081 20 0 CBADLP CCOC(=O)C12CC(C1)C[N@H+]2CCN1CC[NH2+]CC1 ZINC000595904564 355317832 /nfs/dbraw/zinc/31/78/32/355317832.db2.gz GMZYPLVKJXNMTG-UHFFFAOYSA-N 2 2 267.373 -0.081 20 0 CBADLP CSCC[C@@H]([NH3+])C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000595941485 355322570 /nfs/dbraw/zinc/32/25/70/355322570.db2.gz QIQOHKDXXBNGMB-VXGBXAGGSA-N 2 2 287.429 0.000 20 0 CBADLP COC(=O)[C@@H]1CCC[C@@H]1NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000595974516 355332072 /nfs/dbraw/zinc/33/20/72/355332072.db2.gz FGKVTVAIKSYIRB-MXWKQRLJSA-N 2 2 271.361 -0.277 20 0 CBADLP COc1ccc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cn1 ZINC000598684296 355450017 /nfs/dbraw/zinc/45/00/17/355450017.db2.gz VJOFKKQXVQXOFP-VXGBXAGGSA-N 2 2 276.340 -0.166 20 0 CBADLP COc1ccc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cn1 ZINC000598684296 355450018 /nfs/dbraw/zinc/45/00/18/355450018.db2.gz VJOFKKQXVQXOFP-VXGBXAGGSA-N 2 2 276.340 -0.166 20 0 CBADLP COC(=O)[C@@]1(OC)CC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000599557982 355498572 /nfs/dbraw/zinc/49/85/72/355498572.db2.gz CLKLLOPMFSYZHL-TZMCWYRMSA-N 2 2 286.372 -0.295 20 0 CBADLP COC(=O)[C@@]1(OC)CC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000599557982 355498577 /nfs/dbraw/zinc/49/85/77/355498577.db2.gz CLKLLOPMFSYZHL-TZMCWYRMSA-N 2 2 286.372 -0.295 20 0 CBADLP COC(=O)[C@@]1(OC)CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000599557982 355498582 /nfs/dbraw/zinc/49/85/82/355498582.db2.gz CLKLLOPMFSYZHL-TZMCWYRMSA-N 2 2 286.372 -0.295 20 0 CBADLP COC(=O)[C@@]1(OC)CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000599557982 355498586 /nfs/dbraw/zinc/49/85/86/355498586.db2.gz CLKLLOPMFSYZHL-TZMCWYRMSA-N 2 2 286.372 -0.295 20 0 CBADLP COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000599008738 355459350 /nfs/dbraw/zinc/45/93/50/355459350.db2.gz HIKWNYFNLWEHAM-WISYIIOYSA-N 2 2 256.346 -0.160 20 0 CBADLP COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000599008738 355459352 /nfs/dbraw/zinc/45/93/52/355459352.db2.gz HIKWNYFNLWEHAM-WISYIIOYSA-N 2 2 256.346 -0.160 20 0 CBADLP Cc1[nH+]ccn1CCCNC(=O)CN1CC[NH+](C)CC1 ZINC000599315290 355479537 /nfs/dbraw/zinc/47/95/37/355479537.db2.gz PNJLNNSBQOFWCR-UHFFFAOYSA-N 2 2 279.388 -0.055 20 0 CBADLP CCOC(=O)C[C@H](O)C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000599334163 355480984 /nfs/dbraw/zinc/48/09/84/355480984.db2.gz CXSVAQGOOUENMW-LBPRGKRZSA-N 2 2 296.371 -0.144 20 0 CBADLP COC(=O)CNC(=O)CC[N@@H+]1CCc2[nH+]c[nH]c2C1 ZINC000599430510 355487948 /nfs/dbraw/zinc/48/79/48/355487948.db2.gz UNZNGNYPIZYVGO-UHFFFAOYSA-N 2 2 266.301 -0.553 20 0 CBADLP COC(=O)CNC(=O)CC[N@H+]1CCc2[nH+]c[nH]c2C1 ZINC000599430510 355487950 /nfs/dbraw/zinc/48/79/50/355487950.db2.gz UNZNGNYPIZYVGO-UHFFFAOYSA-N 2 2 266.301 -0.553 20 0 CBADLP CCn1nnc(C)c1C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000600707619 355561822 /nfs/dbraw/zinc/56/18/22/355561822.db2.gz CPHTWALPWFYWIP-MNOVXSKESA-N 2 2 278.360 -0.650 20 0 CBADLP CCn1nnc(C)c1C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000600707619 355561823 /nfs/dbraw/zinc/56/18/23/355561823.db2.gz CPHTWALPWFYWIP-MNOVXSKESA-N 2 2 278.360 -0.650 20 0 CBADLP [NH3+][C@@H]1C[C@H]2C[N@@H+]([C@H]3CCN(C4CCC4)C3=O)CCN2C1=O ZINC000601326603 355586149 /nfs/dbraw/zinc/58/61/49/355586149.db2.gz UJVHYCMMPKHZRH-XQQFMLRXSA-N 2 2 292.383 -0.616 20 0 CBADLP [NH3+][C@@H]1C[C@H]2C[N@H+]([C@H]3CCN(C4CCC4)C3=O)CCN2C1=O ZINC000601326603 355586150 /nfs/dbraw/zinc/58/61/50/355586150.db2.gz UJVHYCMMPKHZRH-XQQFMLRXSA-N 2 2 292.383 -0.616 20 0 CBADLP CNC(=O)NC(=O)CC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601335437 355588245 /nfs/dbraw/zinc/58/82/45/355588245.db2.gz UJFAWKPIMBGUIE-QWRGUYRKSA-N 2 2 268.361 -0.094 20 0 CBADLP CNC(=O)NC(=O)CC[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601335437 355588249 /nfs/dbraw/zinc/58/82/49/355588249.db2.gz UJFAWKPIMBGUIE-QWRGUYRKSA-N 2 2 268.361 -0.094 20 0 CBADLP CCNC(=O)NC(=O)C[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000601334328 355588720 /nfs/dbraw/zinc/58/87/20/355588720.db2.gz XWLOWHHJNMYXEE-SKDRFNHKSA-N 2 2 254.334 -0.436 20 0 CBADLP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000600749426 355564767 /nfs/dbraw/zinc/56/47/67/355564767.db2.gz QLOJWLUEMVKONY-WQAKAFBOSA-N 2 2 268.361 -0.238 20 0 CBADLP CNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000600749426 355564770 /nfs/dbraw/zinc/56/47/70/355564770.db2.gz QLOJWLUEMVKONY-WQAKAFBOSA-N 2 2 268.361 -0.238 20 0 CBADLP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)CCn1cc[nH+]c1 ZINC000601043394 355577349 /nfs/dbraw/zinc/57/73/49/355577349.db2.gz QUGUMISHYSUQRT-UHFFFAOYSA-N 2 2 293.371 -0.494 20 0 CBADLP [NH3+][C@H]1C[C@H]2CN(c3nc[nH+]c4c3OCCN4)CCN2C1=O ZINC000601982553 355624679 /nfs/dbraw/zinc/62/46/79/355624679.db2.gz HSEBZODWVMVGBY-IUCAKERBSA-N 2 2 290.327 -0.971 20 0 CBADLP [NH3+][C@H]1C[C@H]2CN(c3[nH+]cnc4c3OCCN4)CCN2C1=O ZINC000601982553 355624681 /nfs/dbraw/zinc/62/46/81/355624681.db2.gz HSEBZODWVMVGBY-IUCAKERBSA-N 2 2 290.327 -0.971 20 0 CBADLP COC(=O)c1ccc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)n1C ZINC000602017136 355625589 /nfs/dbraw/zinc/62/55/89/355625589.db2.gz NMDXYJODJKETFO-CQSZACIVSA-N 2 2 281.356 -0.032 20 0 CBADLP COC(=O)c1ccc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)n1C ZINC000602017136 355625591 /nfs/dbraw/zinc/62/55/91/355625591.db2.gz NMDXYJODJKETFO-CQSZACIVSA-N 2 2 281.356 -0.032 20 0 CBADLP COC(=O)[C@H]1[C@H](O)CCC[N@@H+]1CCc1c[nH+]cn1C ZINC000602816928 355673332 /nfs/dbraw/zinc/67/33/32/355673332.db2.gz VLKIDRKPPJTIMC-VXGBXAGGSA-N 2 2 267.329 -0.039 20 0 CBADLP COC(=O)[C@H]1[C@H](O)CCC[N@H+]1CCc1c[nH+]cn1C ZINC000602816928 355673334 /nfs/dbraw/zinc/67/33/34/355673334.db2.gz VLKIDRKPPJTIMC-VXGBXAGGSA-N 2 2 267.329 -0.039 20 0 CBADLP COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1CCc1c[nH+]cn1C ZINC000602844201 355674156 /nfs/dbraw/zinc/67/41/56/355674156.db2.gz BQDMGWBOBDZDGY-LBPRGKRZSA-N 2 2 294.355 -0.284 20 0 CBADLP COC(=O)CNC(=O)[C@@H]1CCC[N@H+]1CCc1c[nH+]cn1C ZINC000602844201 355674159 /nfs/dbraw/zinc/67/41/59/355674159.db2.gz BQDMGWBOBDZDGY-LBPRGKRZSA-N 2 2 294.355 -0.284 20 0 CBADLP COC(=O)[C@@H]1CN(CCc2c[nH+]cn2C)CC[N@H+](C)C1 ZINC000602839148 355674431 /nfs/dbraw/zinc/67/44/31/355674431.db2.gz HRHSDUNBYCMQLI-LBPRGKRZSA-N 2 2 280.372 -0.001 20 0 CBADLP COC(=O)[C@@H]1CN(CCc2c[nH+]cn2C)CC[N@@H+](C)C1 ZINC000602839148 355674436 /nfs/dbraw/zinc/67/44/36/355674436.db2.gz HRHSDUNBYCMQLI-LBPRGKRZSA-N 2 2 280.372 -0.001 20 0 CBADLP NC(=O)NC(=O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609157438 355765908 /nfs/dbraw/zinc/76/59/08/355765908.db2.gz PCOAHFCTEKEVDV-SECBINFHSA-N 2 2 251.290 -0.285 20 0 CBADLP NC(=O)NC(=O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609157438 355765914 /nfs/dbraw/zinc/76/59/14/355765914.db2.gz PCOAHFCTEKEVDV-SECBINFHSA-N 2 2 251.290 -0.285 20 0 CBADLP NC(=O)NC(=O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609157439 355766561 /nfs/dbraw/zinc/76/65/61/355766561.db2.gz PCOAHFCTEKEVDV-VIFPVBQESA-N 2 2 251.290 -0.285 20 0 CBADLP NC(=O)NC(=O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609157439 355766562 /nfs/dbraw/zinc/76/65/62/355766562.db2.gz PCOAHFCTEKEVDV-VIFPVBQESA-N 2 2 251.290 -0.285 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCCC(N)=O)C2)CC1 ZINC000604167340 355723277 /nfs/dbraw/zinc/72/32/77/355723277.db2.gz SSNRYUNBHUBYKT-LLVKDONJSA-N 2 2 297.403 -0.671 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCCC(N)=O)C2)CC1 ZINC000604167340 355723279 /nfs/dbraw/zinc/72/32/79/355723279.db2.gz SSNRYUNBHUBYKT-LLVKDONJSA-N 2 2 297.403 -0.671 20 0 CBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C1([NH+](C)C)CC1 ZINC000612061449 355821850 /nfs/dbraw/zinc/82/18/50/355821850.db2.gz HAGPJKGBFARBQO-LBPRGKRZSA-N 2 2 285.388 -0.768 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000612867559 355853324 /nfs/dbraw/zinc/85/33/24/355853324.db2.gz BQPSINCPODIWCZ-DGCLKSJQSA-N 2 2 270.377 -0.242 20 0 CBADLP CCn1nccc1CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000612936750 355857769 /nfs/dbraw/zinc/85/77/69/355857769.db2.gz ZCAGHTMXRZPGRL-GFCCVEGCSA-N 2 2 280.376 -0.313 20 0 CBADLP CCn1nccc1CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000612936750 355857770 /nfs/dbraw/zinc/85/77/70/355857770.db2.gz ZCAGHTMXRZPGRL-GFCCVEGCSA-N 2 2 280.376 -0.313 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000614065626 355932895 /nfs/dbraw/zinc/93/28/95/355932895.db2.gz RCDUYXWFOHTRKX-CQSZACIVSA-N 2 2 280.372 -0.122 20 0 CBADLP C[NH+](C)C[C@@H](CO)NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000614842624 355988385 /nfs/dbraw/zinc/98/83/85/355988385.db2.gz QITUJHYULBDJNS-UWVGGRQHSA-N 2 2 266.345 -0.447 20 0 CBADLP C[NH+](C)C[C@@H](CO)NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000614842624 355988387 /nfs/dbraw/zinc/98/83/87/355988387.db2.gz QITUJHYULBDJNS-UWVGGRQHSA-N 2 2 266.345 -0.447 20 0 CBADLP CN(C)[C@H](C(=O)N[C@@H](CO)C[NH+](C)C)c1c[nH+]cn1C ZINC000614847484 355989284 /nfs/dbraw/zinc/98/92/84/355989284.db2.gz MDANOEPNOSENFW-PWSUYJOCSA-N 2 2 283.376 -0.939 20 0 CBADLP C[NH+](C)C[C@@H](CO)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000614849756 355990358 /nfs/dbraw/zinc/99/03/58/355990358.db2.gz NOKVSIDREIHZJA-MNOVXSKESA-N 2 2 266.345 -0.516 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000614413377 355956914 /nfs/dbraw/zinc/95/69/14/355956914.db2.gz QLJBLNIJMLXQRS-LBPRGKRZSA-N 2 2 282.344 -0.999 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000614503719 355963363 /nfs/dbraw/zinc/96/33/63/355963363.db2.gz QUOSPVQGMWLBBG-ZDUSSCGKSA-N 2 2 277.372 -0.531 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000614503719 355963365 /nfs/dbraw/zinc/96/33/65/355963365.db2.gz QUOSPVQGMWLBBG-ZDUSSCGKSA-N 2 2 277.372 -0.531 20 0 CBADLP O=C(CCc1[nH]cc[nH+]1)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000614506763 355965096 /nfs/dbraw/zinc/96/50/96/355965096.db2.gz ZVUXIULJFZSMNK-LBPRGKRZSA-N 2 2 277.372 -0.152 20 0 CBADLP O=C(CCc1[nH]cc[nH+]1)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000614506763 355965100 /nfs/dbraw/zinc/96/51/00/355965100.db2.gz ZVUXIULJFZSMNK-LBPRGKRZSA-N 2 2 277.372 -0.152 20 0 CBADLP C[C@H](NC(=O)[C@H]1CSC[NH2+]1)[C@H](C)[NH+]1CCOCC1 ZINC000237533903 299236417 /nfs/dbraw/zinc/23/64/17/299236417.db2.gz JMWFWENXBFOGLJ-GARJFASQSA-N 2 2 273.402 -0.126 20 0 CBADLP C[C@@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)c1[nH]cc[nH+]1 ZINC000615159948 356011998 /nfs/dbraw/zinc/01/19/98/356011998.db2.gz FXJMDILEFBMYQV-GHMZBOCLSA-N 2 2 293.371 -0.003 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000615309307 356020381 /nfs/dbraw/zinc/02/03/81/356020381.db2.gz SNXJRASEPVTTHP-QWHCGFSZSA-N 2 2 298.431 -0.006 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000615309307 356020382 /nfs/dbraw/zinc/02/03/82/356020382.db2.gz SNXJRASEPVTTHP-QWHCGFSZSA-N 2 2 298.431 -0.006 20 0 CBADLP C[NH+](C)CC(=O)N[C@@H]1CCCC[C@@H]1NC(=O)C[NH+](C)C ZINC000616784524 356114015 /nfs/dbraw/zinc/11/40/15/356114015.db2.gz UBIHVANMDFVGON-TXEJJXNPSA-N 2 2 284.404 -0.347 20 0 CBADLP C[C@@H]1C[N@H+](CCO)CCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000616155403 356069099 /nfs/dbraw/zinc/06/90/99/356069099.db2.gz JXZHLKZWNMPHFG-OLZOCXBDSA-N 2 2 292.383 -0.030 20 0 CBADLP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000616155403 356069101 /nfs/dbraw/zinc/06/91/01/356069101.db2.gz JXZHLKZWNMPHFG-OLZOCXBDSA-N 2 2 292.383 -0.030 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH+]2C[C@H](C)OC[C@@H]2C)C1 ZINC000617733946 356152269 /nfs/dbraw/zinc/15/22/69/356152269.db2.gz XWNIBVVJLSOCKN-IHRRRGAJSA-N 2 2 299.415 -0.068 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)NCC[NH+]2C[C@H](C)OC[C@@H]2C)C1 ZINC000617733946 356152272 /nfs/dbraw/zinc/15/22/72/356152272.db2.gz XWNIBVVJLSOCKN-IHRRRGAJSA-N 2 2 299.415 -0.068 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)C1 ZINC000617733946 356152274 /nfs/dbraw/zinc/15/22/74/356152274.db2.gz XWNIBVVJLSOCKN-IHRRRGAJSA-N 2 2 299.415 -0.068 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)NCC[N@H+]2C[C@H](C)OC[C@@H]2C)C1 ZINC000617733946 356152278 /nfs/dbraw/zinc/15/22/78/356152278.db2.gz XWNIBVVJLSOCKN-IHRRRGAJSA-N 2 2 299.415 -0.068 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH+]2C[C@H](C)OC[C@H]2C)C1 ZINC000617733949 356152777 /nfs/dbraw/zinc/15/27/77/356152777.db2.gz XWNIBVVJLSOCKN-RDBSUJKOSA-N 2 2 299.415 -0.068 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)NCC[NH+]2C[C@H](C)OC[C@H]2C)C1 ZINC000617733949 356152780 /nfs/dbraw/zinc/15/27/80/356152780.db2.gz XWNIBVVJLSOCKN-RDBSUJKOSA-N 2 2 299.415 -0.068 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)NCC[N@@H+]2C[C@H](C)OC[C@H]2C)C1 ZINC000617733949 356152781 /nfs/dbraw/zinc/15/27/81/356152781.db2.gz XWNIBVVJLSOCKN-RDBSUJKOSA-N 2 2 299.415 -0.068 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)NCC[N@H+]2C[C@H](C)OC[C@H]2C)C1 ZINC000617733949 356152784 /nfs/dbraw/zinc/15/27/84/356152784.db2.gz XWNIBVVJLSOCKN-RDBSUJKOSA-N 2 2 299.415 -0.068 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cn[nH]c(=O)c1 ZINC000617763390 356155197 /nfs/dbraw/zinc/15/51/97/356155197.db2.gz PGGGFVZTMCFNLA-UHFFFAOYSA-N 2 2 281.360 -0.205 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cn[nH]c(=O)c1 ZINC000617763390 356155199 /nfs/dbraw/zinc/15/51/99/356155199.db2.gz PGGGFVZTMCFNLA-UHFFFAOYSA-N 2 2 281.360 -0.205 20 0 CBADLP CC(=O)N1CC(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)C1 ZINC000617765045 356155264 /nfs/dbraw/zinc/15/52/64/356155264.db2.gz RFTPXGNPVWRZRU-UHFFFAOYSA-N 2 2 284.404 -0.536 20 0 CBADLP CC(=O)N1CC(C(=O)NCC[N@H+](C)CCC[NH+](C)C)C1 ZINC000617765045 356155268 /nfs/dbraw/zinc/15/52/68/356155268.db2.gz RFTPXGNPVWRZRU-UHFFFAOYSA-N 2 2 284.404 -0.536 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@]1(C)CCC(=O)NC1 ZINC000617764228 356155526 /nfs/dbraw/zinc/15/55/26/356155526.db2.gz OBDALZLPXPCIHV-OAHLLOKOSA-N 2 2 298.431 -0.098 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@]1(C)CCC(=O)NC1 ZINC000617764228 356155531 /nfs/dbraw/zinc/15/55/31/356155531.db2.gz OBDALZLPXPCIHV-OAHLLOKOSA-N 2 2 298.431 -0.098 20 0 CBADLP CN(C)C(=O)C1(C(=O)NCC[N@H+](C)CCC[NH+](C)C)CC1 ZINC000617764286 356155699 /nfs/dbraw/zinc/15/56/99/356155699.db2.gz QPYHMTDGWZKFFX-UHFFFAOYSA-N 2 2 298.431 -0.146 20 0 CBADLP CN(C)C(=O)C1(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)CC1 ZINC000617764286 356155702 /nfs/dbraw/zinc/15/57/02/356155702.db2.gz QPYHMTDGWZKFFX-UHFFFAOYSA-N 2 2 298.431 -0.146 20 0 CBADLP C[C@@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)[NH+](C)C ZINC000617765760 356156344 /nfs/dbraw/zinc/15/63/44/356156344.db2.gz PJIHFTLQHQBYHJ-LBPRGKRZSA-N 3 2 258.410 -0.064 20 0 CBADLP C[C@@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)[NH+](C)C ZINC000617765760 356156347 /nfs/dbraw/zinc/15/63/47/356156347.db2.gz PJIHFTLQHQBYHJ-LBPRGKRZSA-N 3 2 258.410 -0.064 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CN1CC[NH+](C)CC1 ZINC000617766297 356156429 /nfs/dbraw/zinc/15/64/29/356156429.db2.gz FNUDDKCOYRAJKM-UHFFFAOYSA-N 3 2 299.463 -0.767 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CN1CC[NH+](C)CC1 ZINC000617766297 356156431 /nfs/dbraw/zinc/15/64/31/356156431.db2.gz FNUDDKCOYRAJKM-UHFFFAOYSA-N 3 2 299.463 -0.767 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CCNC(N)=O ZINC000617768639 356157010 /nfs/dbraw/zinc/15/70/10/356157010.db2.gz NQNZEVKPJVDEKB-UHFFFAOYSA-N 2 2 273.381 -0.956 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CCNC(N)=O ZINC000617768639 356157014 /nfs/dbraw/zinc/15/70/14/356157014.db2.gz NQNZEVKPJVDEKB-UHFFFAOYSA-N 2 2 273.381 -0.956 20 0 CBADLP CN(CC(=O)NCC[N@H+](C)CCC[NH+](C)C)C(=O)C1CC1 ZINC000617766266 356157068 /nfs/dbraw/zinc/15/70/68/356157068.db2.gz DJKMFQXWCOONDA-UHFFFAOYSA-N 2 2 298.431 -0.146 20 0 CBADLP CN(CC(=O)NCC[N@@H+](C)CCC[NH+](C)C)C(=O)C1CC1 ZINC000617766266 356157072 /nfs/dbraw/zinc/15/70/72/356157072.db2.gz DJKMFQXWCOONDA-UHFFFAOYSA-N 2 2 298.431 -0.146 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000618307405 356186282 /nfs/dbraw/zinc/18/62/82/356186282.db2.gz DONMGIGPUDTEBF-UHFFFAOYSA-N 2 2 295.387 -0.261 20 0 CBADLP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)CCc1[nH]cc[nH+]1 ZINC000618307322 356186777 /nfs/dbraw/zinc/18/67/77/356186777.db2.gz AJZGKVRTGZMBFY-UHFFFAOYSA-N 2 2 295.387 -0.179 20 0 CBADLP CC[N@H+](C)C[C@@H]1CC[NH+](CCS(=O)(=O)NC)C1 ZINC000621261335 356261812 /nfs/dbraw/zinc/26/18/12/356261812.db2.gz MORKTNXWHQTEKH-NSHDSACASA-N 2 2 263.407 -0.191 20 0 CBADLP CC[N@@H+](C)C[C@@H]1CC[NH+](CCS(=O)(=O)NC)C1 ZINC000621261335 356261818 /nfs/dbraw/zinc/26/18/18/356261818.db2.gz MORKTNXWHQTEKH-NSHDSACASA-N 2 2 263.407 -0.191 20 0 CBADLP CC[NH+](C)C[C@@H]1CC[N@H+](CCS(=O)(=O)NC)C1 ZINC000621261335 356261823 /nfs/dbraw/zinc/26/18/23/356261823.db2.gz MORKTNXWHQTEKH-NSHDSACASA-N 2 2 263.407 -0.191 20 0 CBADLP CC[NH+](C)C[C@@H]1CC[N@@H+](CCS(=O)(=O)NC)C1 ZINC000621261335 356261828 /nfs/dbraw/zinc/26/18/28/356261828.db2.gz MORKTNXWHQTEKH-NSHDSACASA-N 2 2 263.407 -0.191 20 0 CBADLP CNS(=O)(=O)CC[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000621298104 356268105 /nfs/dbraw/zinc/26/81/05/356268105.db2.gz JOFSURYNJSYDET-LBPRGKRZSA-N 2 2 275.418 -0.047 20 0 CBADLP CNS(=O)(=O)CC[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000621298104 356268106 /nfs/dbraw/zinc/26/81/06/356268106.db2.gz JOFSURYNJSYDET-LBPRGKRZSA-N 2 2 275.418 -0.047 20 0 CBADLP CNS(=O)(=O)CC[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000621298104 356268107 /nfs/dbraw/zinc/26/81/07/356268107.db2.gz JOFSURYNJSYDET-LBPRGKRZSA-N 2 2 275.418 -0.047 20 0 CBADLP CNS(=O)(=O)CC[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000621298104 356268108 /nfs/dbraw/zinc/26/81/08/356268108.db2.gz JOFSURYNJSYDET-LBPRGKRZSA-N 2 2 275.418 -0.047 20 0 CBADLP CNS(=O)(=O)CC[NH2+]C(C)(C)C[NH+]1CCCC1 ZINC000621300540 356269056 /nfs/dbraw/zinc/26/90/56/356269056.db2.gz PKKALNJWWGQZJC-UHFFFAOYSA-N 2 2 263.407 0.000 20 0 CBADLP CNS(=O)(=O)CC[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000621312230 356269778 /nfs/dbraw/zinc/26/97/78/356269778.db2.gz NOTIOLRLFILXNZ-UHFFFAOYSA-N 2 2 291.417 -0.668 20 0 CBADLP CNS(=O)(=O)CC[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000621312230 356269779 /nfs/dbraw/zinc/26/97/79/356269779.db2.gz NOTIOLRLFILXNZ-UHFFFAOYSA-N 2 2 291.417 -0.668 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621680893 356279971 /nfs/dbraw/zinc/27/99/71/356279971.db2.gz JZSTXZQDSNGDFF-MDZLAQPJSA-N 3 2 254.378 -0.395 20 0 CBADLP C[C@H](NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)c1[nH+]ccn1C ZINC000620603369 356247241 /nfs/dbraw/zinc/24/72/41/356247241.db2.gz HCNBJJWPEUZOCS-RYUDHWBXSA-N 2 2 277.372 -0.013 20 0 CBADLP C[C@H](NC(=O)[C@@H]1C[N@H+]2CCN1CCC2)c1[nH+]ccn1C ZINC000620603369 356247243 /nfs/dbraw/zinc/24/72/43/356247243.db2.gz HCNBJJWPEUZOCS-RYUDHWBXSA-N 2 2 277.372 -0.013 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000621784596 356284318 /nfs/dbraw/zinc/28/43/18/356284318.db2.gz REUHZXIAHVOCMC-DZGCQCFKSA-N 3 2 280.416 -0.036 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000621784596 356284321 /nfs/dbraw/zinc/28/43/21/356284321.db2.gz REUHZXIAHVOCMC-DZGCQCFKSA-N 3 2 280.416 -0.036 20 0 CBADLP [NH3+][C@@]12CCC[C@H]1C[N@H+](CCN1C(=O)CNC1=O)C2 ZINC000621780467 356284371 /nfs/dbraw/zinc/28/43/71/356284371.db2.gz RTVFOSJMOOWFMD-JOYOIKCWSA-N 2 2 252.318 -0.649 20 0 CBADLP [NH3+][C@@]12CCC[C@H]1C[N@@H+](CCN1C(=O)CNC1=O)C2 ZINC000621780467 356284372 /nfs/dbraw/zinc/28/43/72/356284372.db2.gz RTVFOSJMOOWFMD-JOYOIKCWSA-N 2 2 252.318 -0.649 20 0 CBADLP [NH3+][C@]12CCC[C@@H]1C[N@H+](CCN1C(=O)CCC1=O)C2 ZINC000621779979 356284996 /nfs/dbraw/zinc/28/49/96/356284996.db2.gz LXLMMXXGVQNCQU-MFKMUULPSA-N 2 2 251.330 -0.051 20 0 CBADLP [NH3+][C@]12CCC[C@@H]1C[N@@H+](CCN1C(=O)CCC1=O)C2 ZINC000621779979 356284998 /nfs/dbraw/zinc/28/49/98/356284998.db2.gz LXLMMXXGVQNCQU-MFKMUULPSA-N 2 2 251.330 -0.051 20 0 CBADLP CN(Cc1c[nH+]c[nH]1)C(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000622030872 356301790 /nfs/dbraw/zinc/30/17/90/356301790.db2.gz CLZZFCHKZCEZBY-HZMBPMFUSA-N 2 2 291.355 -0.292 20 0 CBADLP CN(Cc1c[nH]c[nH+]1)C(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000622030872 356301792 /nfs/dbraw/zinc/30/17/92/356301792.db2.gz CLZZFCHKZCEZBY-HZMBPMFUSA-N 2 2 291.355 -0.292 20 0 CBADLP Cn1c[nH+]c(CCNC(=O)[C@@H]2C[N@H+](C)CCO2)c1 ZINC000622685654 356337738 /nfs/dbraw/zinc/33/77/38/356337738.db2.gz DDVNSCDGWHUYFB-NSHDSACASA-N 2 2 252.318 -0.591 20 0 CBADLP Cn1c[nH+]c(CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000622685654 356337742 /nfs/dbraw/zinc/33/77/42/356337742.db2.gz DDVNSCDGWHUYFB-NSHDSACASA-N 2 2 252.318 -0.591 20 0 CBADLP CC(C)[N@H+](C)CCNC(=O)NC[C@H]1COCC[NH+]1C ZINC000623573511 356368142 /nfs/dbraw/zinc/36/81/42/356368142.db2.gz LINNMQIVBFSDMO-LBPRGKRZSA-N 2 2 272.393 -0.044 20 0 CBADLP CC(C)[N@@H+](C)CCNC(=O)NC[C@H]1COCC[NH+]1C ZINC000623573511 356368145 /nfs/dbraw/zinc/36/81/45/356368145.db2.gz LINNMQIVBFSDMO-LBPRGKRZSA-N 2 2 272.393 -0.044 20 0 CBADLP CC(C)[NH+](C)CCNC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000623573511 356368149 /nfs/dbraw/zinc/36/81/49/356368149.db2.gz LINNMQIVBFSDMO-LBPRGKRZSA-N 2 2 272.393 -0.044 20 0 CBADLP CC(C)[NH+](C)CCNC(=O)NC[C@H]1COCC[N@H+]1C ZINC000623573511 356368151 /nfs/dbraw/zinc/36/81/51/356368151.db2.gz LINNMQIVBFSDMO-LBPRGKRZSA-N 2 2 272.393 -0.044 20 0 CBADLP CC(C)[N@H+](C)CCNC(=O)NC[C@@H]1COCC[NH+]1C ZINC000623573510 356368468 /nfs/dbraw/zinc/36/84/68/356368468.db2.gz LINNMQIVBFSDMO-GFCCVEGCSA-N 2 2 272.393 -0.044 20 0 CBADLP CC(C)[N@@H+](C)CCNC(=O)NC[C@@H]1COCC[NH+]1C ZINC000623573510 356368472 /nfs/dbraw/zinc/36/84/72/356368472.db2.gz LINNMQIVBFSDMO-GFCCVEGCSA-N 2 2 272.393 -0.044 20 0 CBADLP CC(C)[NH+](C)CCNC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000623573510 356368478 /nfs/dbraw/zinc/36/84/78/356368478.db2.gz LINNMQIVBFSDMO-GFCCVEGCSA-N 2 2 272.393 -0.044 20 0 CBADLP CC(C)[NH+](C)CCNC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000623573510 356368481 /nfs/dbraw/zinc/36/84/81/356368481.db2.gz LINNMQIVBFSDMO-GFCCVEGCSA-N 2 2 272.393 -0.044 20 0 CBADLP CN1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)[C@H](C[NH3+])C1 ZINC000623176505 356356507 /nfs/dbraw/zinc/35/65/07/356356507.db2.gz CHBKOTZSPTXEKY-NWDGAFQWSA-N 2 2 277.372 -0.453 20 0 CBADLP Cn1ccc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)n1 ZINC000623618652 356369221 /nfs/dbraw/zinc/36/92/21/356369221.db2.gz ZPRPJXNCQYKGNJ-LBPRGKRZSA-N 2 2 265.361 -0.151 20 0 CBADLP Cn1ccc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)n1 ZINC000623618652 356369224 /nfs/dbraw/zinc/36/92/24/356369224.db2.gz ZPRPJXNCQYKGNJ-LBPRGKRZSA-N 2 2 265.361 -0.151 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000623477218 356365509 /nfs/dbraw/zinc/36/55/09/356365509.db2.gz CLOWRKJNKFZUNH-VXGBXAGGSA-N 2 2 281.360 -0.099 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000623477218 356365513 /nfs/dbraw/zinc/36/55/13/356365513.db2.gz CLOWRKJNKFZUNH-VXGBXAGGSA-N 2 2 281.360 -0.099 20 0 CBADLP CN(C)S(=O)(=O)N1CC([NH2+]C2CC[NH+](C)CC2)C1 ZINC000623792797 356375625 /nfs/dbraw/zinc/37/56/25/356375625.db2.gz DFBWPOHTNIOFNB-UHFFFAOYSA-N 2 2 276.406 -0.839 20 0 CBADLP Nc1nc(N2CCC[C@@H](c3[nH]cc[nH+]3)C2)nc(N)[nH+]1 ZINC000623934440 356383092 /nfs/dbraw/zinc/38/30/92/356383092.db2.gz SLRFTUNVPXDYSN-SSDOTTSWSA-N 2 2 260.305 -0.196 20 0 CBADLP Nc1nc(N)[nH+]c(N2CCC[C@@H](c3[nH]cc[nH+]3)C2)n1 ZINC000623934440 356383094 /nfs/dbraw/zinc/38/30/94/356383094.db2.gz SLRFTUNVPXDYSN-SSDOTTSWSA-N 2 2 260.305 -0.196 20 0 CBADLP Nc1nc(N2CCC[C@H](c3[nH]cc[nH+]3)C2)nc(N)[nH+]1 ZINC000623934441 356383235 /nfs/dbraw/zinc/38/32/35/356383235.db2.gz SLRFTUNVPXDYSN-ZETCQYMHSA-N 2 2 260.305 -0.196 20 0 CBADLP Nc1nc(N)[nH+]c(N2CCC[C@H](c3[nH]cc[nH+]3)C2)n1 ZINC000623934441 356383236 /nfs/dbraw/zinc/38/32/36/356383236.db2.gz SLRFTUNVPXDYSN-ZETCQYMHSA-N 2 2 260.305 -0.196 20 0 CBADLP C[C@H]1C[C@H](N(C)c2nc(N)nc(N)[nH+]2)CC[N@@H+]1C ZINC000623991985 356386298 /nfs/dbraw/zinc/38/62/98/356386298.db2.gz YIDAIAWDPFAGMB-JGVFFNPUSA-N 2 2 251.338 -0.384 20 0 CBADLP C[C@H]1C[C@H](N(C)c2nc(N)nc(N)[nH+]2)CC[N@H+]1C ZINC000623991985 356386300 /nfs/dbraw/zinc/38/63/00/356386300.db2.gz YIDAIAWDPFAGMB-JGVFFNPUSA-N 2 2 251.338 -0.384 20 0 CBADLP C[C@@H]1C[C@H](N(C)c2nc(N)nc(N)[nH+]2)CC[N@@H+]1C ZINC000623991984 356386719 /nfs/dbraw/zinc/38/67/19/356386719.db2.gz YIDAIAWDPFAGMB-HTQZYQBOSA-N 2 2 251.338 -0.384 20 0 CBADLP C[C@@H]1C[C@H](N(C)c2nc(N)nc(N)[nH+]2)CC[N@H+]1C ZINC000623991984 356386723 /nfs/dbraw/zinc/38/67/23/356386723.db2.gz YIDAIAWDPFAGMB-HTQZYQBOSA-N 2 2 251.338 -0.384 20 0 CBADLP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)c1nc(N)nc(N)[nH+]1 ZINC000624024286 356390983 /nfs/dbraw/zinc/39/09/83/356390983.db2.gz CENMGEMHCIFOAI-SFYZADRCSA-N 2 2 251.338 -0.527 20 0 CBADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)c1nc(N)nc(N)[nH+]1 ZINC000624024286 356390987 /nfs/dbraw/zinc/39/09/87/356390987.db2.gz CENMGEMHCIFOAI-SFYZADRCSA-N 2 2 251.338 -0.527 20 0 CBADLP CN(CC(C)(C)C[NH+]1CCOCC1)c1nc(N)[nH+]c(N)n1 ZINC000624059401 356393769 /nfs/dbraw/zinc/39/37/69/356393769.db2.gz UTNXGGLFUBWZRN-UHFFFAOYSA-N 2 2 295.391 -0.509 20 0 CBADLP C[C@H](Cn1cncn1)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000624087356 356396582 /nfs/dbraw/zinc/39/65/82/356396582.db2.gz SUIPAUQZFQLPPB-NEPJUHHUSA-N 2 2 280.376 -0.404 20 0 CBADLP C[C@H](Cn1cncn1)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000624087356 356396587 /nfs/dbraw/zinc/39/65/87/356396587.db2.gz SUIPAUQZFQLPPB-NEPJUHHUSA-N 2 2 280.376 -0.404 20 0 CBADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1cc[nH]n1 ZINC000623618655 356369512 /nfs/dbraw/zinc/36/95/12/356369512.db2.gz ZVDLQJNDEHSLHE-NSHDSACASA-N 2 2 251.334 -0.161 20 0 CBADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cc[nH]n1 ZINC000623618655 356369514 /nfs/dbraw/zinc/36/95/14/356369514.db2.gz ZVDLQJNDEHSLHE-NSHDSACASA-N 2 2 251.334 -0.161 20 0 CBADLP C[NH+]1CCC(NC(=O)NC[C@H]2COCC[N@@H+]2C)CC1 ZINC000623704978 356370939 /nfs/dbraw/zinc/37/09/39/356370939.db2.gz XGOIRCDUSVETRZ-LBPRGKRZSA-N 2 2 270.377 -0.290 20 0 CBADLP C[NH+]1CCC(NC(=O)NC[C@H]2COCC[N@H+]2C)CC1 ZINC000623704978 356370940 /nfs/dbraw/zinc/37/09/40/356370940.db2.gz XGOIRCDUSVETRZ-LBPRGKRZSA-N 2 2 270.377 -0.290 20 0 CBADLP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC[C@H]2COCC[N@@H+]2C)C1 ZINC000624306771 356411446 /nfs/dbraw/zinc/41/14/46/356411446.db2.gz OOTFQKIJXGVYPO-XQQFMLRXSA-N 2 2 284.404 -0.044 20 0 CBADLP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC[C@H]2COCC[N@H+]2C)C1 ZINC000624306771 356411448 /nfs/dbraw/zinc/41/14/48/356411448.db2.gz OOTFQKIJXGVYPO-XQQFMLRXSA-N 2 2 284.404 -0.044 20 0 CBADLP CN(CC[N@@H+]1CCOC(C)(C)C1)c1nc(N)[nH+]c(N)n1 ZINC000624167767 356401724 /nfs/dbraw/zinc/40/17/24/356401724.db2.gz MCIMGOWQVZBDSY-UHFFFAOYSA-N 2 2 281.364 -0.756 20 0 CBADLP CN(CC[N@H+]1CCOC(C)(C)C1)c1nc(N)[nH+]c(N)n1 ZINC000624167767 356401728 /nfs/dbraw/zinc/40/17/28/356401728.db2.gz MCIMGOWQVZBDSY-UHFFFAOYSA-N 2 2 281.364 -0.756 20 0 CBADLP C[N@@H+]1CCC[C@]2(CCN(c3nc(N)nc(N)[nH+]3)C2)C1 ZINC000624245436 356406178 /nfs/dbraw/zinc/40/61/78/356406178.db2.gz DFOCBZXKKNZBNT-LBPRGKRZSA-N 2 2 263.349 -0.381 20 0 CBADLP C[N@H+]1CCC[C@]2(CCN(c3nc(N)nc(N)[nH+]3)C2)C1 ZINC000624245436 356406182 /nfs/dbraw/zinc/40/61/82/356406182.db2.gz DFOCBZXKKNZBNT-LBPRGKRZSA-N 2 2 263.349 -0.381 20 0 CBADLP C[C@H]1C[C@@H]([NH2+]C2CN(S(=O)(=O)N(C)C)C2)CC[N@@H+]1C ZINC000624283147 356409290 /nfs/dbraw/zinc/40/92/90/356409290.db2.gz FZUYNWWPSROICF-QWRGUYRKSA-N 2 2 290.433 -0.451 20 0 CBADLP C[C@H]1C[C@@H]([NH2+]C2CN(S(=O)(=O)N(C)C)C2)CC[N@H+]1C ZINC000624283147 356409294 /nfs/dbraw/zinc/40/92/94/356409294.db2.gz FZUYNWWPSROICF-QWRGUYRKSA-N 2 2 290.433 -0.451 20 0 CBADLP Cn1cc(CC[NH+]2CCN(c3[nH+]ccn3C)CC2)nn1 ZINC000625263651 356454246 /nfs/dbraw/zinc/45/42/46/356454246.db2.gz KTFHGBPIJRTVTE-UHFFFAOYSA-N 2 2 275.360 -0.087 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000625316190 356457060 /nfs/dbraw/zinc/45/70/60/356457060.db2.gz XCDCQUKHYUWLSY-GFCCVEGCSA-N 2 2 266.345 -0.283 20 0 CBADLP C[N@H+](C[C@@H](O)CN1CC[NH+](Cc2cn[nH]c2)CC1)C1CC1 ZINC000625473248 356467355 /nfs/dbraw/zinc/46/73/55/356467355.db2.gz AVOCYIYWOREVNH-OAHLLOKOSA-N 2 2 293.415 -0.018 20 0 CBADLP C[N@@H+](C[C@@H](O)CN1CC[NH+](Cc2cn[nH]c2)CC1)C1CC1 ZINC000625473248 356467359 /nfs/dbraw/zinc/46/73/59/356467359.db2.gz AVOCYIYWOREVNH-OAHLLOKOSA-N 2 2 293.415 -0.018 20 0 CBADLP COC[C@@H](O)C[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000625546067 356473591 /nfs/dbraw/zinc/47/35/91/356473591.db2.gz MTIJAPOJFDXQRD-ZDUSSCGKSA-N 2 2 258.362 -0.210 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)CC1(C)COC1 ZINC000625791058 356492865 /nfs/dbraw/zinc/49/28/65/356492865.db2.gz HMTJTNSSHDIVKK-GFCCVEGCSA-N 2 2 260.378 -0.106 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)CC1(C)COC1 ZINC000625791058 356492868 /nfs/dbraw/zinc/49/28/68/356492868.db2.gz HMTJTNSSHDIVKK-GFCCVEGCSA-N 2 2 260.378 -0.106 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)CC1(C)COC1 ZINC000625791058 356492871 /nfs/dbraw/zinc/49/28/71/356492871.db2.gz HMTJTNSSHDIVKK-GFCCVEGCSA-N 2 2 260.378 -0.106 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)CC1(C)COC1 ZINC000625791058 356492875 /nfs/dbraw/zinc/49/28/75/356492875.db2.gz HMTJTNSSHDIVKK-GFCCVEGCSA-N 2 2 260.378 -0.106 20 0 CBADLP C[N@@H+]1CCN(C(=O)Nc2cnn(CCF)c2)[C@@H](C[NH3+])C1 ZINC000625923214 356497615 /nfs/dbraw/zinc/49/76/15/356497615.db2.gz BSFHDRWSHRSTQX-NSHDSACASA-N 2 2 284.339 -0.041 20 0 CBADLP C[N@H+]1CCN(C(=O)Nc2cnn(CCF)c2)[C@@H](C[NH3+])C1 ZINC000625923214 356497619 /nfs/dbraw/zinc/49/76/19/356497619.db2.gz BSFHDRWSHRSTQX-NSHDSACASA-N 2 2 284.339 -0.041 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@@H]3CC[NH2+]C3)C2)CC1 ZINC000626979252 356562473 /nfs/dbraw/zinc/56/24/73/356562473.db2.gz VBJVUWPNXDXZGK-OLZOCXBDSA-N 3 2 295.431 -0.184 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@@H]3CC[NH2+]C3)C2)CC1 ZINC000626979252 356562477 /nfs/dbraw/zinc/56/24/77/356562477.db2.gz VBJVUWPNXDXZGK-OLZOCXBDSA-N 3 2 295.431 -0.184 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CC[NH2+]C1 ZINC000626935166 356557205 /nfs/dbraw/zinc/55/72/05/356557205.db2.gz YPMMKMXPUGYVEF-WDEREUQCSA-N 2 2 256.350 -0.632 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N(C)CCOCC[NH3+] ZINC000626939405 356557966 /nfs/dbraw/zinc/55/79/66/356557966.db2.gz BXWSKUBTTOJPAX-NSHDSACASA-N 2 2 269.349 -0.112 20 0 CBADLP C[C@@H]1CC[C@H](NC(=O)NC[C@H]2CN(C)CC[N@@H+]2C)C[NH2+]1 ZINC000626974626 356561731 /nfs/dbraw/zinc/56/17/31/356561731.db2.gz JPGIGVNINXNPEN-AGIUHOORSA-N 2 2 283.420 -0.328 20 0 CBADLP C[C@@H]1CC[C@H](NC(=O)NC[C@H]2CN(C)CC[N@H+]2C)C[NH2+]1 ZINC000626974626 356561733 /nfs/dbraw/zinc/56/17/33/356561733.db2.gz JPGIGVNINXNPEN-AGIUHOORSA-N 2 2 283.420 -0.328 20 0 CBADLP C[NH2+]CCOCCNC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000627040339 356569605 /nfs/dbraw/zinc/56/96/05/356569605.db2.gz HPBWTMAHNANIBR-SNVBAGLBSA-N 2 2 281.360 -0.198 20 0 CBADLP C[NH2+]CCOCCNC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000627040339 356569608 /nfs/dbraw/zinc/56/96/08/356569608.db2.gz HPBWTMAHNANIBR-SNVBAGLBSA-N 2 2 281.360 -0.198 20 0 CBADLP C[NH2+]CCOCCN(C)C(=O)NCCc1cn(C)c[nH+]1 ZINC000627056511 356570704 /nfs/dbraw/zinc/57/07/04/356570704.db2.gz BHLSUKJGDUQYAD-UHFFFAOYSA-N 2 2 283.376 -0.160 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)NC1CC[NH2+]CC1 ZINC000627061983 356570840 /nfs/dbraw/zinc/57/08/40/356570840.db2.gz URJSRIWJQOZFRW-NSHDSACASA-N 2 2 256.350 -0.632 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)NC1CC[NH2+]CC1 ZINC000627061983 356570842 /nfs/dbraw/zinc/57/08/42/356570842.db2.gz URJSRIWJQOZFRW-NSHDSACASA-N 2 2 256.350 -0.632 20 0 CBADLP O=C(NCC[NH+]1CCOCC1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627134141 356588123 /nfs/dbraw/zinc/58/81/23/356588123.db2.gz KNHYQSBEOWNEOA-GFCCVEGCSA-N 2 2 282.388 -0.098 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000627073136 356573674 /nfs/dbraw/zinc/57/36/74/356573674.db2.gz KUUNYQYZFFACIE-VXGBXAGGSA-N 2 2 270.377 -0.384 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000627073136 356573677 /nfs/dbraw/zinc/57/36/77/356573677.db2.gz KUUNYQYZFFACIE-VXGBXAGGSA-N 2 2 270.377 -0.384 20 0 CBADLP CCC[NH2+]CCNC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000627080477 356577696 /nfs/dbraw/zinc/57/76/96/356577696.db2.gz AXDCRXMJGKRLPC-NSHDSACASA-N 2 2 258.366 -0.384 20 0 CBADLP CCC[NH2+]CCNC(=O)NC[C@H]1COCC[N@H+]1C ZINC000627080477 356577702 /nfs/dbraw/zinc/57/77/02/356577702.db2.gz AXDCRXMJGKRLPC-NSHDSACASA-N 2 2 258.366 -0.384 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)NC[C@H]1CC[NH2+]C1 ZINC000627085180 356578743 /nfs/dbraw/zinc/57/87/43/356578743.db2.gz JINUYGODYAVSHX-QWRGUYRKSA-N 2 2 256.350 -0.774 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)NC[C@H]1CC[NH2+]C1 ZINC000627085180 356578747 /nfs/dbraw/zinc/57/87/47/356578747.db2.gz JINUYGODYAVSHX-QWRGUYRKSA-N 2 2 256.350 -0.774 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)NCC1=CC[NH2+]CC1 ZINC000627086801 356580025 /nfs/dbraw/zinc/58/00/25/356580025.db2.gz AITOPFGHLISLGN-LBPRGKRZSA-N 2 2 268.361 -0.464 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)NCC1=CC[NH2+]CC1 ZINC000627086801 356580028 /nfs/dbraw/zinc/58/00/28/356580028.db2.gz AITOPFGHLISLGN-LBPRGKRZSA-N 2 2 268.361 -0.464 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000627101729 356582844 /nfs/dbraw/zinc/58/28/44/356582844.db2.gz DVSFFJAXVAVEKH-TUAOUCFPSA-N 2 2 270.377 -0.256 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000627101729 356582846 /nfs/dbraw/zinc/58/28/46/356582846.db2.gz DVSFFJAXVAVEKH-TUAOUCFPSA-N 2 2 270.377 -0.256 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)NCCC1(C[NH3+])CC1 ZINC000627109031 356584076 /nfs/dbraw/zinc/58/40/76/356584076.db2.gz BFVSQYVIYGGFIR-LLVKDONJSA-N 2 2 270.377 -0.255 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)NCCC1(C[NH3+])CC1 ZINC000627109031 356584081 /nfs/dbraw/zinc/58/40/81/356584081.db2.gz BFVSQYVIYGGFIR-LLVKDONJSA-N 2 2 270.377 -0.255 20 0 CBADLP O=C(NCC[NH+]1CCOCC1)N[C@H]1CC[NH2+]C12CCC2 ZINC000627134142 356587429 /nfs/dbraw/zinc/58/74/29/356587429.db2.gz KNHYQSBEOWNEOA-LBPRGKRZSA-N 2 2 282.388 -0.098 20 0 CBADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627251261 356614144 /nfs/dbraw/zinc/61/41/44/356614144.db2.gz DGPLVFFQVBGDMH-YNEHKIRRSA-N 2 2 282.388 -0.147 20 0 CBADLP CO[C@H]1C[C@@H](CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])C1 ZINC000627253613 356615010 /nfs/dbraw/zinc/61/50/10/356615010.db2.gz DCMANMQISXFGAV-SDDRHHMPSA-N 2 2 270.377 -0.304 20 0 CBADLP CO[C@H]1C[C@@H](CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])C1 ZINC000627253613 356615015 /nfs/dbraw/zinc/61/50/15/356615015.db2.gz DCMANMQISXFGAV-SDDRHHMPSA-N 2 2 270.377 -0.304 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000627182565 356595427 /nfs/dbraw/zinc/59/54/27/356595427.db2.gz ATSIQSMKUOZIDU-HZSPNIEDSA-N 2 2 296.415 -0.042 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000627182565 356595431 /nfs/dbraw/zinc/59/54/31/356595431.db2.gz ATSIQSMKUOZIDU-HZSPNIEDSA-N 2 2 296.415 -0.042 20 0 CBADLP C[C@H]([NH3+])[C@@H]1CCN(C(=O)NC[C@@H]2COCC[N@@H+]2C)C1 ZINC000627182746 356595913 /nfs/dbraw/zinc/59/59/13/356595913.db2.gz CTURUQBIMPAKDP-QJPTWQEYSA-N 2 2 270.377 -0.304 20 0 CBADLP C[C@H]([NH3+])[C@@H]1CCN(C(=O)NC[C@@H]2COCC[N@H+]2C)C1 ZINC000627182746 356595918 /nfs/dbraw/zinc/59/59/18/356595918.db2.gz CTURUQBIMPAKDP-QJPTWQEYSA-N 2 2 270.377 -0.304 20 0 CBADLP C[NH2+]C[C@@H]1CCCN1C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000627182993 356596118 /nfs/dbraw/zinc/59/61/18/356596118.db2.gz GHWBCWUEQQFDAY-RYUDHWBXSA-N 2 2 270.377 -0.290 20 0 CBADLP C[NH2+]C[C@@H]1CCCN1C(=O)NC[C@H]1COCC[N@H+]1C ZINC000627182993 356596123 /nfs/dbraw/zinc/59/61/23/356596123.db2.gz GHWBCWUEQQFDAY-RYUDHWBXSA-N 2 2 270.377 -0.290 20 0 CBADLP C[C@@H]1CN(C(=O)NC[C@H]2COCC[N@@H+]2C)[C@@H](C)C[NH2+]1 ZINC000627183201 356596267 /nfs/dbraw/zinc/59/62/67/356596267.db2.gz HXHULEKAEDJEQG-WOPDTQHZSA-N 2 2 270.377 -0.291 20 0 CBADLP C[C@@H]1CN(C(=O)NC[C@H]2COCC[N@H+]2C)[C@@H](C)C[NH2+]1 ZINC000627183201 356596272 /nfs/dbraw/zinc/59/62/72/356596272.db2.gz HXHULEKAEDJEQG-WOPDTQHZSA-N 2 2 270.377 -0.291 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000627183275 356596365 /nfs/dbraw/zinc/59/63/65/356596365.db2.gz QSRHLWCZJCQZDO-GMTAPVOTSA-N 2 2 274.340 -0.602 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000627183275 356596370 /nfs/dbraw/zinc/59/63/70/356596370.db2.gz QSRHLWCZJCQZDO-GMTAPVOTSA-N 2 2 274.340 -0.602 20 0 CBADLP CC(C)[C@H]1C[NH2+]CCN1C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000627182736 356596422 /nfs/dbraw/zinc/59/64/22/356596422.db2.gz JUXJEZGVSQMFEB-CHWSQXEVSA-N 2 2 284.404 -0.044 20 0 CBADLP CC(C)[C@H]1C[NH2+]CCN1C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000627182736 356596427 /nfs/dbraw/zinc/59/64/27/356596427.db2.gz JUXJEZGVSQMFEB-CHWSQXEVSA-N 2 2 284.404 -0.044 20 0 CBADLP CN(C(=O)NC[C@@H]1COCC[N@@H+]1C)C1CC([NH3+])C1 ZINC000627184345 356597415 /nfs/dbraw/zinc/59/74/15/356597415.db2.gz VRDDROFIVWTNPL-VQXHTEKXSA-N 2 2 256.350 -0.552 20 0 CBADLP CN(C(=O)NC[C@@H]1COCC[N@H+]1C)C1CC([NH3+])C1 ZINC000627184345 356597417 /nfs/dbraw/zinc/59/74/17/356597417.db2.gz VRDDROFIVWTNPL-VQXHTEKXSA-N 2 2 256.350 -0.552 20 0 CBADLP CN(CCCn1cc[nH+]c1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627187202 356598697 /nfs/dbraw/zinc/59/86/97/356598697.db2.gz QQYQIQMAXDCPJS-GFCCVEGCSA-N 2 2 281.360 -0.097 20 0 CBADLP C[C@H]1CC[C@@H](NC(=O)NCC[NH+]2CCOCC2)C[NH2+]1 ZINC000627193324 356603575 /nfs/dbraw/zinc/60/35/75/356603575.db2.gz IAXLJXYIURHZMT-NWDGAFQWSA-N 2 2 270.377 -0.242 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)NCCOCCC[NH3+] ZINC000627212750 356606898 /nfs/dbraw/zinc/60/68/98/356606898.db2.gz BKWUAFHKPOLUJZ-UHFFFAOYSA-N 2 2 288.392 -0.675 20 0 CBADLP CCN(CC[NH3+])C(=O)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000627352103 356630982 /nfs/dbraw/zinc/63/09/82/356630982.db2.gz LXIDBGFYWWPZMH-UHFFFAOYSA-N 2 2 293.371 -0.429 20 0 CBADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N[C@H](CO)C[NH+](C)C)CC2 ZINC000627275774 356618970 /nfs/dbraw/zinc/61/89/70/356618970.db2.gz QUOWTUVICKPJHD-RYUDHWBXSA-N 2 2 280.372 -0.207 20 0 CBADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCCc1cn(C)c[nH+]1 ZINC000627307745 356624129 /nfs/dbraw/zinc/62/41/29/356624129.db2.gz VXRFMBFUUAPODL-NWDGAFQWSA-N 2 2 293.371 -0.665 20 0 CBADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)CC2 ZINC000627425491 356644537 /nfs/dbraw/zinc/64/45/37/356644537.db2.gz RDGFQRODSIKNEW-AGIUHOORSA-N 2 2 292.383 -0.113 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000627443150 356647610 /nfs/dbraw/zinc/64/76/10/356647610.db2.gz ARSCPSBLNZNLAW-GFCCVEGCSA-N 2 2 294.399 -0.449 20 0 CBADLP C[C@H]1CC[C@H](NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)C[NH2+]1 ZINC000627476646 356653458 /nfs/dbraw/zinc/65/34/58/356653458.db2.gz IWGICXAIADPXOO-RYUDHWBXSA-N 2 2 294.399 -0.450 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627480102 356654722 /nfs/dbraw/zinc/65/47/22/356654722.db2.gz KVIVEGAFWWZMJD-VXGBXAGGSA-N 2 2 282.388 -0.593 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627480099 356654940 /nfs/dbraw/zinc/65/49/40/356654940.db2.gz KVIVEGAFWWZMJD-NEPJUHHUSA-N 2 2 282.388 -0.593 20 0 CBADLP COCC[NH+]1CCC([NH2+][C@H]2COC[C@H]2n2ccnn2)CC1 ZINC000328976079 202138511 /nfs/dbraw/zinc/13/85/11/202138511.db2.gz WIGXQIBLPOMHSD-UONOGXRCSA-N 2 2 295.387 -0.082 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NC[C@H]1COCC[N@H+]1C ZINC000628912213 356736883 /nfs/dbraw/zinc/73/68/83/356736883.db2.gz RTSNDNKDSZPXKR-NSHDSACASA-N 2 2 252.318 -0.362 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628912213 356736885 /nfs/dbraw/zinc/73/68/85/356736885.db2.gz RTSNDNKDSZPXKR-NSHDSACASA-N 2 2 252.318 -0.362 20 0 CBADLP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2COCC[NH+]2C)C1 ZINC000628914770 356738762 /nfs/dbraw/zinc/73/87/62/356738762.db2.gz QDKAAFHPIWXLMO-VXGBXAGGSA-N 2 2 255.362 -0.225 20 0 CBADLP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2COCC[NH+]2C)C1 ZINC000628914770 356738765 /nfs/dbraw/zinc/73/87/65/356738765.db2.gz QDKAAFHPIWXLMO-VXGBXAGGSA-N 2 2 255.362 -0.225 20 0 CBADLP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2COCC[N@@H+]2C)C1 ZINC000628914770 356738768 /nfs/dbraw/zinc/73/87/68/356738768.db2.gz QDKAAFHPIWXLMO-VXGBXAGGSA-N 2 2 255.362 -0.225 20 0 CBADLP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2COCC[N@H+]2C)C1 ZINC000628914770 356738770 /nfs/dbraw/zinc/73/87/70/356738770.db2.gz QDKAAFHPIWXLMO-VXGBXAGGSA-N 2 2 255.362 -0.225 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)CCCC[NH+]1CCOCC1 ZINC000628916408 356739489 /nfs/dbraw/zinc/73/94/89/356739489.db2.gz YLKVTFDGYRVHRP-CQSZACIVSA-N 2 2 299.415 -0.064 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)CCCC[NH+]1CCOCC1 ZINC000628916408 356739492 /nfs/dbraw/zinc/73/94/92/356739492.db2.gz YLKVTFDGYRVHRP-CQSZACIVSA-N 2 2 299.415 -0.064 20 0 CBADLP C[N@H+](CC(=O)NC[C@H]1COCC[NH+]1C)[C@H]1CCSC1 ZINC000628918856 356740310 /nfs/dbraw/zinc/74/03/10/356740310.db2.gz PUGRITIPIBJVRE-RYUDHWBXSA-N 2 2 287.429 -0.130 20 0 CBADLP C[N@@H+](CC(=O)NC[C@H]1COCC[NH+]1C)[C@H]1CCSC1 ZINC000628918856 356740314 /nfs/dbraw/zinc/74/03/14/356740314.db2.gz PUGRITIPIBJVRE-RYUDHWBXSA-N 2 2 287.429 -0.130 20 0 CBADLP C[NH+](CC(=O)NC[C@H]1COCC[N@@H+]1C)[C@H]1CCSC1 ZINC000628918856 356740315 /nfs/dbraw/zinc/74/03/15/356740315.db2.gz PUGRITIPIBJVRE-RYUDHWBXSA-N 2 2 287.429 -0.130 20 0 CBADLP C[NH+](CC(=O)NC[C@H]1COCC[N@H+]1C)[C@H]1CCSC1 ZINC000628918856 356740320 /nfs/dbraw/zinc/74/03/20/356740320.db2.gz PUGRITIPIBJVRE-RYUDHWBXSA-N 2 2 287.429 -0.130 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2COCC[NH+]2C)C1 ZINC000628919812 356741869 /nfs/dbraw/zinc/74/18/69/356741869.db2.gz WBFPIQOCKSRMFK-NWDGAFQWSA-N 2 2 271.361 -0.846 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2COCC[NH+]2C)C1 ZINC000628919812 356741870 /nfs/dbraw/zinc/74/18/70/356741870.db2.gz WBFPIQOCKSRMFK-NWDGAFQWSA-N 2 2 271.361 -0.846 20 0 CBADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@H]2COCC[N@@H+]2C)C1 ZINC000628919812 356741871 /nfs/dbraw/zinc/74/18/71/356741871.db2.gz WBFPIQOCKSRMFK-NWDGAFQWSA-N 2 2 271.361 -0.846 20 0 CBADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@H]2COCC[N@H+]2C)C1 ZINC000628919812 356741872 /nfs/dbraw/zinc/74/18/72/356741872.db2.gz WBFPIQOCKSRMFK-NWDGAFQWSA-N 2 2 271.361 -0.846 20 0 CBADLP [NH3+]CCCOCC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000629539379 356777298 /nfs/dbraw/zinc/77/72/98/356777298.db2.gz QMWFTHGONAGPMW-QWHCGFSZSA-N 3 2 257.378 -0.292 20 0 CBADLP [NH3+]CCCOCC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000629539380 356777743 /nfs/dbraw/zinc/77/77/43/356777743.db2.gz QMWFTHGONAGPMW-STQMWFEESA-N 3 2 257.378 -0.292 20 0 CBADLP C[C@@H](C[NH2+]C[C@H](O)C[NH+]1CCCC1)CN1CC[NH+](C)CC1 ZINC000629559561 356779868 /nfs/dbraw/zinc/77/98/68/356779868.db2.gz BGMANNXDTFKKEB-HOTGVXAUSA-N 3 2 298.475 -0.084 20 0 CBADLP C[C@H](C[NH2+]C[C@@H](O)C[NH+]1CCCC1)CN1CC[NH+](C)CC1 ZINC000629559562 356779890 /nfs/dbraw/zinc/77/98/90/356779890.db2.gz BGMANNXDTFKKEB-HZPDHXFCSA-N 3 2 298.475 -0.084 20 0 CBADLP c1nnc2ccc(N3CC[C@@H]([NH2+][C@@H]4CC[NH2+]C4)C3)nn12 ZINC000629525445 356776171 /nfs/dbraw/zinc/77/61/71/356776171.db2.gz ZGUFTLMUTZXFGV-GHMZBOCLSA-N 2 2 273.344 -0.346 20 0 CBADLP CCN(CC[NH3+])C(=O)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000629793921 356793314 /nfs/dbraw/zinc/79/33/14/356793314.db2.gz KOYVNLSKOIVPOP-UHFFFAOYSA-N 2 2 293.371 -0.146 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[NH2+]C[C@H]2C(C)C)CC1 ZINC000629811054 356798018 /nfs/dbraw/zinc/79/80/18/356798018.db2.gz GANYIFITYHVFDZ-ZDUSSCGKSA-N 2 2 296.415 -0.393 20 0 CBADLP O=C(NCC[N@H+]1CC[C@H](O)C1)[C@H]1CCc2[nH+]ccn2C1 ZINC000629912864 356805550 /nfs/dbraw/zinc/80/55/50/356805550.db2.gz OPGDSHZXWCXNHE-RYUDHWBXSA-N 2 2 278.356 -0.372 20 0 CBADLP O=C(NCC[N@@H+]1CC[C@H](O)C1)[C@H]1CCc2[nH+]ccn2C1 ZINC000629912864 356805554 /nfs/dbraw/zinc/80/55/54/356805554.db2.gz OPGDSHZXWCXNHE-RYUDHWBXSA-N 2 2 278.356 -0.372 20 0 CBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CC1CC[NH2+]CC1 ZINC000629607480 356785814 /nfs/dbraw/zinc/78/58/14/356785814.db2.gz UTZZHPGJVJCHEI-CQSZACIVSA-N 2 2 299.415 -0.472 20 0 CBADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000629606357 356786191 /nfs/dbraw/zinc/78/61/91/356786191.db2.gz GJORPTYFOKXILS-IHRRRGAJSA-N 2 2 299.415 -0.474 20 0 CBADLP CC(C)[NH2+]CC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000629606616 356786275 /nfs/dbraw/zinc/78/62/75/356786275.db2.gz JXXOVCLVRPCTRX-LBPRGKRZSA-N 2 2 273.377 -0.864 20 0 CBADLP CCC[NH2+][C@@H](C)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000629607907 356787257 /nfs/dbraw/zinc/78/72/57/356787257.db2.gz RUJBSCOHDPMGCF-STQMWFEESA-N 2 2 287.404 -0.474 20 0 CBADLP C[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000629607799 356787283 /nfs/dbraw/zinc/78/72/83/356787283.db2.gz ZOVLMZNBXJTOJA-RWMBFGLXSA-N 2 2 285.388 -0.864 20 0 CBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C[C@@H]1CCC[NH2+]1 ZINC000629607553 356787290 /nfs/dbraw/zinc/78/72/90/356787290.db2.gz WFTMUBPAEFGNEL-QWHCGFSZSA-N 2 2 285.388 -0.720 20 0 CBADLP CO[C@@H]1C[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)[C@@](C)(C[NH3+])C1 ZINC000630365422 356838781 /nfs/dbraw/zinc/83/87/81/356838781.db2.gz HVRABPORTCOKDV-RWMBFGLXSA-N 3 2 269.389 -0.055 20 0 CBADLP CO[C@@H]1C[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)[C@@](C)(C[NH3+])C1 ZINC000630365422 356838782 /nfs/dbraw/zinc/83/87/82/356838782.db2.gz HVRABPORTCOKDV-RWMBFGLXSA-N 3 2 269.389 -0.055 20 0 CBADLP CO[C@@H]1C[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)[C@@](C)(C[NH3+])C1 ZINC000630365421 356838952 /nfs/dbraw/zinc/83/89/52/356838952.db2.gz HVRABPORTCOKDV-FRRDWIJNSA-N 3 2 269.389 -0.055 20 0 CBADLP CO[C@@H]1C[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)[C@@](C)(C[NH3+])C1 ZINC000630365421 356838955 /nfs/dbraw/zinc/83/89/55/356838955.db2.gz HVRABPORTCOKDV-FRRDWIJNSA-N 3 2 269.389 -0.055 20 0 CBADLP C[C@@H](O)C[NH+]1CCN(S(=O)(=O)CCC[NH+](C)C)CC1 ZINC000632007642 356943001 /nfs/dbraw/zinc/94/30/01/356943001.db2.gz RAYQFOBQSCGKFE-GFCCVEGCSA-N 2 2 293.433 -0.734 20 0 CBADLP O=C(C[NH+]1CCC([NH2+]CCO)CC1)N1CCCC1 ZINC000631862072 356913596 /nfs/dbraw/zinc/91/35/96/356913596.db2.gz DURJRTPBEMCDFJ-UHFFFAOYSA-N 2 2 255.362 -0.345 20 0 CBADLP CN(C(=O)C[NH+]1CCC([NH2+]CCO)CC1)C1CC1 ZINC000631862744 356913719 /nfs/dbraw/zinc/91/37/19/356913719.db2.gz MXMMYGSRVTYTPU-UHFFFAOYSA-N 2 2 255.362 -0.347 20 0 CBADLP O=C(CC[NH2+][C@]12CCC[C@@H]1C[NH2+]C2)N1CCOCC1 ZINC000631869371 356914839 /nfs/dbraw/zinc/91/48/39/356914839.db2.gz WWAIISBASIBBKV-OCCSQVGLSA-N 2 2 267.373 -0.033 20 0 CBADLP CCS(=O)(=O)NCC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631887847 356915929 /nfs/dbraw/zinc/91/59/29/356915929.db2.gz QZNSYHODBDLNFT-NEPJUHHUSA-N 2 2 275.418 0.000 20 0 CBADLP CCS(=O)(=O)NCC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631887847 356915932 /nfs/dbraw/zinc/91/59/32/356915932.db2.gz QZNSYHODBDLNFT-NEPJUHHUSA-N 2 2 275.418 0.000 20 0 CBADLP C[C@H]1CN(S(=O)(=O)CC2([NH+](C)C)CC2)CC[NH2+]1 ZINC000631903982 356919554 /nfs/dbraw/zinc/91/95/54/356919554.db2.gz AEGDTNDJPCFORO-JTQLQIEISA-N 2 2 261.391 -0.296 20 0 CBADLP C[N@@H+]1CCO[C@H](CS(=O)(=O)NCCn2cc[nH+]c2)C1 ZINC000631663241 356899308 /nfs/dbraw/zinc/89/93/08/356899308.db2.gz HOUOVINSXLSRJH-NSHDSACASA-N 2 2 288.373 -0.867 20 0 CBADLP C[N@H+]1CCO[C@H](CS(=O)(=O)NCCn2cc[nH+]c2)C1 ZINC000631663241 356899309 /nfs/dbraw/zinc/89/93/09/356899309.db2.gz HOUOVINSXLSRJH-NSHDSACASA-N 2 2 288.373 -0.867 20 0 CBADLP C[NH+](C)CCCS(=O)(=O)NCCn1cc[nH+]c1 ZINC000631666670 356900446 /nfs/dbraw/zinc/90/04/46/356900446.db2.gz XWWHTTJSRFYJFO-UHFFFAOYSA-N 2 2 260.363 -0.246 20 0 CBADLP O[C@@H]1COC[C@@H]1[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000631673050 356900886 /nfs/dbraw/zinc/90/08/86/356900886.db2.gz FRBLQUPJNHADMS-MELADBBJSA-N 2 2 270.373 -0.021 20 0 CBADLP CNS(=O)(=O)CCC[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000631709931 356902516 /nfs/dbraw/zinc/90/25/16/356902516.db2.gz MZKAILJFDWXGCD-ZYHUDNBSSA-N 2 2 275.418 -0.002 20 0 CBADLP CNS(=O)(=O)CCC[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000631709931 356902518 /nfs/dbraw/zinc/90/25/18/356902518.db2.gz MZKAILJFDWXGCD-ZYHUDNBSSA-N 2 2 275.418 -0.002 20 0 CBADLP C[C@H]1CN(S(=O)(=O)CCC[NH+](C)C)CC[N@@H+]1CCO ZINC000632243481 356963972 /nfs/dbraw/zinc/96/39/72/356963972.db2.gz QKQYOLIIYFHXOM-LBPRGKRZSA-N 2 2 293.433 -0.734 20 0 CBADLP C[C@H]1CN(S(=O)(=O)CCC[NH+](C)C)CC[N@H+]1CCO ZINC000632243481 356963975 /nfs/dbraw/zinc/96/39/75/356963975.db2.gz QKQYOLIIYFHXOM-LBPRGKRZSA-N 2 2 293.433 -0.734 20 0 CBADLP C[C@@H](C[NH+](C)C)NS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000632337526 356975169 /nfs/dbraw/zinc/97/51/69/356975169.db2.gz PJPHHCZKIYNKOD-QWRGUYRKSA-N 2 2 279.406 -0.814 20 0 CBADLP C[C@@H](C[NH+](C)C)NS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000632337526 356975172 /nfs/dbraw/zinc/97/51/72/356975172.db2.gz PJPHHCZKIYNKOD-QWRGUYRKSA-N 2 2 279.406 -0.814 20 0 CBADLP CN(CC[NH+](C)C)C(=O)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000632382270 356981274 /nfs/dbraw/zinc/98/12/74/356981274.db2.gz KOFNIQVNYDFKIL-UHFFFAOYSA-N 2 2 267.333 -0.612 20 0 CBADLP C[NH+](C)CC1CN(S(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)C1 ZINC000632382839 356981345 /nfs/dbraw/zinc/98/13/45/356981345.db2.gz JWXOGZGMVRSWMQ-LBPRGKRZSA-N 2 2 291.417 -0.860 20 0 CBADLP C[NH+](C)CC1CN(S(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000632382839 356981348 /nfs/dbraw/zinc/98/13/48/356981348.db2.gz JWXOGZGMVRSWMQ-LBPRGKRZSA-N 2 2 291.417 -0.860 20 0 CBADLP C[C@@H]1C[N@H+](CCO)CCN1S(=O)(=O)CCC[NH+](C)C ZINC000632429405 356987542 /nfs/dbraw/zinc/98/75/42/356987542.db2.gz JFXSQKPVDDRCBQ-GFCCVEGCSA-N 2 2 293.433 -0.734 20 0 CBADLP C[C@@H]1C[N@@H+](CCO)CCN1S(=O)(=O)CCC[NH+](C)C ZINC000632429405 356987544 /nfs/dbraw/zinc/98/75/44/356987544.db2.gz JFXSQKPVDDRCBQ-GFCCVEGCSA-N 2 2 293.433 -0.734 20 0 CBADLP C[NH+](C)CC(C)(C)NS(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000632431647 356988558 /nfs/dbraw/zinc/98/85/58/356988558.db2.gz NILKCHGHPVAULJ-LLVKDONJSA-N 2 2 293.433 -0.423 20 0 CBADLP C[NH+](C)CC(C)(C)NS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000632431647 356988563 /nfs/dbraw/zinc/98/85/63/356988563.db2.gz NILKCHGHPVAULJ-LLVKDONJSA-N 2 2 293.433 -0.423 20 0 CBADLP CN(CC[NH+](C)C)S(=O)(=O)CC1([NH+](C)C)CC1 ZINC000632061186 356948692 /nfs/dbraw/zinc/94/86/92/356948692.db2.gz JFXKYNSBXQQMHZ-UHFFFAOYSA-N 2 2 263.407 -0.096 20 0 CBADLP Cn1cc[nH+]c1CNS(=O)(=O)CC1([NH+](C)C)CC1 ZINC000632190097 356958752 /nfs/dbraw/zinc/95/87/52/356958752.db2.gz VZVFIKDCQMEHOL-UHFFFAOYSA-N 2 2 272.374 -0.066 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)N[C@@H](CO)C[NH+]2CCOCC2)CC[N@@H+]1C ZINC000632856167 357029157 /nfs/dbraw/zinc/02/91/57/357029157.db2.gz YTKLZELLOQJCEF-HZSPNIEDSA-N 2 2 299.415 -0.474 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)N[C@@H](CO)C[NH+]2CCOCC2)CC[N@H+]1C ZINC000632856167 357029159 /nfs/dbraw/zinc/02/91/59/357029159.db2.gz YTKLZELLOQJCEF-HZSPNIEDSA-N 2 2 299.415 -0.474 20 0 CBADLP Cn1cc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cn1 ZINC000632957424 357032368 /nfs/dbraw/zinc/03/23/68/357032368.db2.gz HZPHZVPQRGXHMF-JTQLQIEISA-N 2 2 252.322 -0.473 20 0 CBADLP Cn1cc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cn1 ZINC000632957424 357032373 /nfs/dbraw/zinc/03/23/73/357032373.db2.gz HZPHZVPQRGXHMF-JTQLQIEISA-N 2 2 252.322 -0.473 20 0 CBADLP CCCN(C(=O)C(=O)N(C)Cc1[nH]cc[nH+]1)[C@@H]1CC[NH2+]C1 ZINC000633104399 357045927 /nfs/dbraw/zinc/04/59/27/357045927.db2.gz ARSLVFGHBHTWCX-LLVKDONJSA-N 2 2 293.371 -0.031 20 0 CBADLP C[C@H]1CCN(C(=O)C(=O)N(C)Cc2[nH]cc[nH+]2)C[C@@H]1C[NH3+] ZINC000633108678 357047255 /nfs/dbraw/zinc/04/72/55/357047255.db2.gz ZMFIVFSQRRTCSE-QWRGUYRKSA-N 2 2 293.371 -0.189 20 0 CBADLP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N(C)Cc1[nH+]ccn1C ZINC000633114645 357048659 /nfs/dbraw/zinc/04/86/59/357048659.db2.gz DNZCXDFLIBFDRD-NXEZZACHSA-N 2 2 279.344 -0.673 20 0 CBADLP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000633114941 357048762 /nfs/dbraw/zinc/04/87/62/357048762.db2.gz DZABGZTZFUJUTE-WDEREUQCSA-N 2 2 280.372 -0.759 20 0 CBADLP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000633137953 357051070 /nfs/dbraw/zinc/05/10/70/357051070.db2.gz AKHZEDJOVUVMTI-NEPJUHHUSA-N 2 2 293.371 -0.320 20 0 CBADLP C[C@@H](CCNS(=O)(=O)C[C@H]1C[N@H+](C)CCO1)[NH+](C)C ZINC000632550014 357000965 /nfs/dbraw/zinc/00/09/65/357000965.db2.gz NEAPEWXQXZZZBK-NWDGAFQWSA-N 2 2 293.433 -0.423 20 0 CBADLP C[C@@H](CCNS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1)[NH+](C)C ZINC000632550014 357000969 /nfs/dbraw/zinc/00/09/69/357000969.db2.gz NEAPEWXQXZZZBK-NWDGAFQWSA-N 2 2 293.433 -0.423 20 0 CBADLP CN(CC1C[NH+](C)C1)S(=O)(=O)CC1([NH+](C)C)CC1 ZINC000632554869 357001607 /nfs/dbraw/zinc/00/16/07/357001607.db2.gz OWOHAXUGUPNUDT-UHFFFAOYSA-N 2 2 275.418 -0.096 20 0 CBADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)[C@@H]3CC(=O)N3)c2)CC1 ZINC000634193558 357109459 /nfs/dbraw/zinc/10/94/59/357109459.db2.gz KROIJXSQOFCKJP-NSHDSACASA-N 2 2 289.339 -0.340 20 0 CBADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Cc1nc[nH]n1 ZINC000633613921 357075085 /nfs/dbraw/zinc/07/50/85/357075085.db2.gz HUKQHVQQROEWIU-NSHDSACASA-N 2 2 282.392 -0.265 20 0 CBADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Cc1nc[nH]n1 ZINC000633613921 357075086 /nfs/dbraw/zinc/07/50/86/357075086.db2.gz HUKQHVQQROEWIU-NSHDSACASA-N 2 2 282.392 -0.265 20 0 CBADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Cc1nnc[nH]1 ZINC000633613921 357075088 /nfs/dbraw/zinc/07/50/88/357075088.db2.gz HUKQHVQQROEWIU-NSHDSACASA-N 2 2 282.392 -0.265 20 0 CBADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Cc1nnc[nH]1 ZINC000633613921 357075090 /nfs/dbraw/zinc/07/50/90/357075090.db2.gz HUKQHVQQROEWIU-NSHDSACASA-N 2 2 282.392 -0.265 20 0 CBADLP CCO[C@@H]1COC[C@H]1NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000633714047 357082817 /nfs/dbraw/zinc/08/28/17/357082817.db2.gz LMOGPBNENBYPJT-QJPTWQEYSA-N 2 2 286.376 -0.925 20 0 CBADLP C[C@H](C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1)N1CC[NH2+]CC1=O ZINC000634765284 357134325 /nfs/dbraw/zinc/13/43/25/357134325.db2.gz OKICKYQAFZTCQT-VXGBXAGGSA-N 2 2 296.415 -0.299 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H]2COC[C@@H]2C1 ZINC000634779567 357135663 /nfs/dbraw/zinc/13/56/63/357135663.db2.gz VVFKEVIXCALTOY-FRRDWIJNSA-N 2 2 258.362 -0.496 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H]2COC[C@@H]2C1 ZINC000634779567 357135666 /nfs/dbraw/zinc/13/56/66/357135666.db2.gz VVFKEVIXCALTOY-FRRDWIJNSA-N 2 2 258.362 -0.496 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000634779567 357135669 /nfs/dbraw/zinc/13/56/69/357135669.db2.gz VVFKEVIXCALTOY-FRRDWIJNSA-N 2 2 258.362 -0.496 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000634779567 357135670 /nfs/dbraw/zinc/13/56/70/357135670.db2.gz VVFKEVIXCALTOY-FRRDWIJNSA-N 2 2 258.362 -0.496 20 0 CBADLP C[C@H]([NH3+])CNc1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000634808923 357137627 /nfs/dbraw/zinc/13/76/27/357137627.db2.gz GPQPNFKEZPGPMN-VIFPVBQESA-N 2 2 264.333 -0.486 20 0 CBADLP CN1CCN(c2cc(N3CC[NH2+]CC3)nc[nH+]2)CC1=O ZINC000634807189 357137803 /nfs/dbraw/zinc/13/78/03/357137803.db2.gz AUNWEENDYUKPCF-UHFFFAOYSA-N 2 2 276.344 -0.835 20 0 CBADLP CS(=O)(=O)NC[C@@H]1CCC[N@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634991993 357141141 /nfs/dbraw/zinc/14/11/41/357141141.db2.gz ZCRYONMBZDYNIE-HIFPTAJRSA-N 2 2 287.429 0.000 20 0 CBADLP CS(=O)(=O)NC[C@@H]1CCC[N@@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634991993 357141146 /nfs/dbraw/zinc/14/11/46/357141146.db2.gz ZCRYONMBZDYNIE-HIFPTAJRSA-N 2 2 287.429 0.000 20 0 CBADLP CC(C)NC(=O)C[NH+]1CCN(CC23CC(C2)C[NH2+]3)CC1 ZINC000634991564 357141592 /nfs/dbraw/zinc/14/15/92/357141592.db2.gz JDARIFALYATMMK-UHFFFAOYSA-N 2 2 280.416 -0.119 20 0 CBADLP CNS(=O)(=O)CCC[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000635009647 357143494 /nfs/dbraw/zinc/14/34/94/357143494.db2.gz YRRJRYIGGAKIAE-MNOVXSKESA-N 2 2 279.406 -0.718 20 0 CBADLP CN1CC[N@H+](C)[C@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC000635546995 357174028 /nfs/dbraw/zinc/17/40/28/357174028.db2.gz DNXRJGNFIWJFIL-CHWSQXEVSA-N 2 2 268.405 -0.310 20 0 CBADLP CN1CC[N@@H+](C)[C@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC000635546995 357174031 /nfs/dbraw/zinc/17/40/31/357174031.db2.gz DNXRJGNFIWJFIL-CHWSQXEVSA-N 2 2 268.405 -0.310 20 0 CBADLP CN1CC[NH+](C)[C@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000635546995 357174034 /nfs/dbraw/zinc/17/40/34/357174034.db2.gz DNXRJGNFIWJFIL-CHWSQXEVSA-N 2 2 268.405 -0.310 20 0 CBADLP CN1CC[NH+](C)[C@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000635546995 357174036 /nfs/dbraw/zinc/17/40/36/357174036.db2.gz DNXRJGNFIWJFIL-CHWSQXEVSA-N 2 2 268.405 -0.310 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@]1(N)CC1(F)F ZINC000634296757 357115896 /nfs/dbraw/zinc/11/58/96/357115896.db2.gz OOXTWXNZAVMXMV-NSHDSACASA-N 2 2 278.347 -0.277 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@]1(N)CC1(F)F ZINC000634296757 357115900 /nfs/dbraw/zinc/11/59/00/357115900.db2.gz OOXTWXNZAVMXMV-NSHDSACASA-N 2 2 278.347 -0.277 20 0 CBADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]C[C@H](O)C[C@@](C)(O)C1CC1 ZINC000634704094 357128139 /nfs/dbraw/zinc/12/81/39/357128139.db2.gz FWVQDMULOCPALY-RBSFLKMASA-N 2 2 285.432 -0.266 20 0 CBADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]C[C@H](O)C[C@@](C)(O)C1CC1 ZINC000634704094 357128144 /nfs/dbraw/zinc/12/81/44/357128144.db2.gz FWVQDMULOCPALY-RBSFLKMASA-N 2 2 285.432 -0.266 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)CC1(O)CCOCC1 ZINC000634705132 357128449 /nfs/dbraw/zinc/12/84/49/357128449.db2.gz VSNGFWQECIUKOG-OLZOCXBDSA-N 2 2 272.389 -0.037 20 0 CBADLP C[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)CC1(O)CCOCC1 ZINC000634705132 357128450 /nfs/dbraw/zinc/12/84/50/357128450.db2.gz VSNGFWQECIUKOG-OLZOCXBDSA-N 2 2 272.389 -0.037 20 0 CBADLP NC(=O)[C@H](CO)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634720486 357128687 /nfs/dbraw/zinc/12/86/87/357128687.db2.gz KPISJJQRZJSBCE-ZFWWWQNUSA-N 2 2 293.367 -0.941 20 0 CBADLP NC(=O)[C@H](CO)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634720486 357128693 /nfs/dbraw/zinc/12/86/93/357128693.db2.gz KPISJJQRZJSBCE-ZFWWWQNUSA-N 2 2 293.367 -0.941 20 0 CBADLP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2cn(CC(N)=O)nn2)C1 ZINC000634734026 357130897 /nfs/dbraw/zinc/13/08/97/357130897.db2.gz UZHCERBBTFKOMP-JTQLQIEISA-N 2 2 280.376 -0.369 20 0 CBADLP CCc1c[nH]c(CC(=O)NC[C@]2(O)CC[N@H+](C)C2)[nH+]1 ZINC000635801399 357209859 /nfs/dbraw/zinc/20/98/59/357209859.db2.gz JFYVUGBDCWJILV-CYBMUJFWSA-N 2 2 266.345 -0.303 20 0 CBADLP CCc1c[nH]c(CC(=O)NC[C@]2(O)CC[N@@H+](C)C2)[nH+]1 ZINC000635801399 357209863 /nfs/dbraw/zinc/20/98/63/357209863.db2.gz JFYVUGBDCWJILV-CYBMUJFWSA-N 2 2 266.345 -0.303 20 0 CBADLP C[NH+](C)CC1(C(=O)N[C@H](CO)C[NH+]2CCOCC2)CC1 ZINC000635893344 357225551 /nfs/dbraw/zinc/22/55/51/357225551.db2.gz QVIZIVBZQRMEST-LBPRGKRZSA-N 2 2 285.388 -0.863 20 0 CBADLP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CN3CC[NH+]2CCC3)C1 ZINC000635900877 357228091 /nfs/dbraw/zinc/22/80/91/357228091.db2.gz YOLDYDSPPXVUOH-KBPBESRZSA-N 2 2 280.416 -0.166 20 0 CBADLP C[N@H+]1CC[C@@H](CC(=O)NC[C@H]2CN3CC[NH+]2CCC3)C1 ZINC000635900877 357228093 /nfs/dbraw/zinc/22/80/93/357228093.db2.gz YOLDYDSPPXVUOH-KBPBESRZSA-N 2 2 280.416 -0.166 20 0 CBADLP C[NH+]1CC[C@@H](CC(=O)NC[C@H]2CN3CC[N@@H+]2CCC3)C1 ZINC000635900877 357228095 /nfs/dbraw/zinc/22/80/95/357228095.db2.gz YOLDYDSPPXVUOH-KBPBESRZSA-N 2 2 280.416 -0.166 20 0 CBADLP C[NH+]1CC[C@@H](CC(=O)NC[C@H]2CN3CC[N@H+]2CCC3)C1 ZINC000635900877 357228097 /nfs/dbraw/zinc/22/80/97/357228097.db2.gz YOLDYDSPPXVUOH-KBPBESRZSA-N 2 2 280.416 -0.166 20 0 CBADLP C[C@H](CNC(=O)[C@@H](C)[NH+](C)C)CN1CC[NH+](C)CC1 ZINC000635558523 357176249 /nfs/dbraw/zinc/17/62/49/357176249.db2.gz AIIWVSKPJUUJHC-CHWSQXEVSA-N 2 2 270.421 -0.064 20 0 CBADLP C[C@H](C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1)[NH+](C)C ZINC000635627140 357184782 /nfs/dbraw/zinc/18/47/82/357184782.db2.gz VXJJFDMGOTUSBO-SNVBAGLBSA-N 2 2 270.377 -0.655 20 0 CBADLP C[NH+]1CCC(CNC(=O)NC[C@@H]2COCC[N@@H+]2C)CC1 ZINC000636731837 357299213 /nfs/dbraw/zinc/29/92/13/357299213.db2.gz DBYZPGZYOKWERY-CYBMUJFWSA-N 2 2 284.404 -0.042 20 0 CBADLP C[NH+]1CCC(CNC(=O)NC[C@@H]2COCC[N@H+]2C)CC1 ZINC000636731837 357299218 /nfs/dbraw/zinc/29/92/18/357299218.db2.gz DBYZPGZYOKWERY-CYBMUJFWSA-N 2 2 284.404 -0.042 20 0 CBADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000636741972 357300677 /nfs/dbraw/zinc/30/06/77/357300677.db2.gz SGXJXCRLLRGYCN-UHFFFAOYSA-N 2 2 293.371 -0.031 20 0 CBADLP C[C@@H]1C[C@H](C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])[C@@H](C)O1 ZINC000637863641 357378292 /nfs/dbraw/zinc/37/82/92/357378292.db2.gz FERIKSXOBFSDIC-WYUUTHIRSA-N 2 2 255.362 -0.099 20 0 CBADLP C[C@@H]1C[C@H](C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])[C@@H](C)O1 ZINC000637863641 357378293 /nfs/dbraw/zinc/37/82/93/357378293.db2.gz FERIKSXOBFSDIC-WYUUTHIRSA-N 2 2 255.362 -0.099 20 0 CBADLP C[NH+]1CCN(C(=O)NCC(C)(C)N2CC[NH+](C)CC2)CC1 ZINC000636980865 357314562 /nfs/dbraw/zinc/31/45/62/357314562.db2.gz DLSSXEYQDSQUSO-UHFFFAOYSA-N 2 2 297.447 -0.031 20 0 CBADLP CN1CC[NH+](C(C)(C)CNC(=O)N2CC[NH+](C)CC2)CC1 ZINC000636980865 357314566 /nfs/dbraw/zinc/31/45/66/357314566.db2.gz DLSSXEYQDSQUSO-UHFFFAOYSA-N 2 2 297.447 -0.031 20 0 CBADLP C[C@H](C(=O)N[C@@](C)(C[NH3+])C1CC1)N1CC[NH2+]CC1=O ZINC000637840779 357375219 /nfs/dbraw/zinc/37/52/19/357375219.db2.gz IVWQVRCFJFUGRI-RNCFNFMXSA-N 2 2 268.361 -0.950 20 0 CBADLP C[C@@H](C(=O)N[C@](C)(C[NH3+])C1CC1)N1CC[NH2+]CC1=O ZINC000637840781 357375255 /nfs/dbraw/zinc/37/52/55/357375255.db2.gz IVWQVRCFJFUGRI-TVQRCGJNSA-N 2 2 268.361 -0.950 20 0 CBADLP O=C(NCC[N@H+]1CC[C@H](O)C1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000637157301 357326929 /nfs/dbraw/zinc/32/69/29/357326929.db2.gz SNPIRDBTCNZAHV-QWRGUYRKSA-N 2 2 293.371 -0.367 20 0 CBADLP O=C(NCC[N@@H+]1CC[C@H](O)C1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000637157301 357326933 /nfs/dbraw/zinc/32/69/33/357326933.db2.gz SNPIRDBTCNZAHV-QWRGUYRKSA-N 2 2 293.371 -0.367 20 0 CBADLP C[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[NH2+]CC1=O ZINC000637859845 357378354 /nfs/dbraw/zinc/37/83/54/357378354.db2.gz PSDZIVBXOUIESO-TUAOUCFPSA-N 2 2 280.372 -0.840 20 0 CBADLP O=C(NCC[NH2+]C1CC1)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000637347822 357339320 /nfs/dbraw/zinc/33/93/20/357339320.db2.gz MBDIVIAFILYATA-BETUJISGSA-N 2 2 282.388 -0.099 20 0 CBADLP O=C(NCC[NH2+]C1CC1)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000637347822 357339323 /nfs/dbraw/zinc/33/93/23/357339323.db2.gz MBDIVIAFILYATA-BETUJISGSA-N 2 2 282.388 -0.099 20 0 CBADLP CC(C)C[C@@H](C[NH3+])NC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000637843308 357376305 /nfs/dbraw/zinc/37/63/05/357376305.db2.gz CNUGOGYEMJJFGY-QWRGUYRKSA-N 2 2 270.377 -0.704 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)NCC[NH+]1CC=CCC1 ZINC000637440102 357345555 /nfs/dbraw/zinc/34/55/55/357345555.db2.gz FICQYRYUSCOWTL-ZDUSSCGKSA-N 2 2 282.388 -0.122 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)NCC[NH+]1CC=CCC1 ZINC000637440102 357345561 /nfs/dbraw/zinc/34/55/61/357345561.db2.gz FICQYRYUSCOWTL-ZDUSSCGKSA-N 2 2 282.388 -0.122 20 0 CBADLP C[NH+]1CCOC[C@@H]1CNC(=O)NCC[N@H+]1CC=CCC1 ZINC000637440102 357345565 /nfs/dbraw/zinc/34/55/65/357345565.db2.gz FICQYRYUSCOWTL-ZDUSSCGKSA-N 2 2 282.388 -0.122 20 0 CBADLP C[NH+]1CCOC[C@@H]1CNC(=O)NCC[N@@H+]1CC=CCC1 ZINC000637440102 357345569 /nfs/dbraw/zinc/34/55/69/357345569.db2.gz FICQYRYUSCOWTL-ZDUSSCGKSA-N 2 2 282.388 -0.122 20 0 CBADLP C[NH+]1CCOC[C@@H]1CNC(=O)NCC1=CC[N@H+](C)CC1 ZINC000637444044 357351722 /nfs/dbraw/zinc/35/17/22/357351722.db2.gz NWVTZVDQBBYVPM-ZDUSSCGKSA-N 2 2 282.388 -0.122 20 0 CBADLP C[NH+]1CCOC[C@@H]1CNC(=O)NCC1=CC[N@@H+](C)CC1 ZINC000637444044 357351724 /nfs/dbraw/zinc/35/17/24/357351724.db2.gz NWVTZVDQBBYVPM-ZDUSSCGKSA-N 2 2 282.388 -0.122 20 0 CBADLP C[NH+]1CC=C(CNC(=O)NC[C@H]2COCC[N@@H+]2C)CC1 ZINC000637444044 357351725 /nfs/dbraw/zinc/35/17/25/357351725.db2.gz NWVTZVDQBBYVPM-ZDUSSCGKSA-N 2 2 282.388 -0.122 20 0 CBADLP C[NH+]1CC=C(CNC(=O)NC[C@H]2COCC[N@H+]2C)CC1 ZINC000637444044 357351727 /nfs/dbraw/zinc/35/17/27/357351727.db2.gz NWVTZVDQBBYVPM-ZDUSSCGKSA-N 2 2 282.388 -0.122 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)NCC[NH+]1CCC1 ZINC000637445642 357351753 /nfs/dbraw/zinc/35/17/53/357351753.db2.gz YQHJVVUMBBYBAR-LLVKDONJSA-N 2 2 256.350 -0.678 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)NCC[NH+]1CCC1 ZINC000637445642 357351755 /nfs/dbraw/zinc/35/17/55/357351755.db2.gz YQHJVVUMBBYBAR-LLVKDONJSA-N 2 2 256.350 -0.678 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000637448989 357352371 /nfs/dbraw/zinc/35/23/71/357352371.db2.gz XUROUKKDKKNKCM-ZIAGYGMSSA-N 2 2 294.399 -0.027 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000637448989 357352376 /nfs/dbraw/zinc/35/23/76/357352376.db2.gz XUROUKKDKKNKCM-ZIAGYGMSSA-N 2 2 294.399 -0.027 20 0 CBADLP C[NH2+]C[C@H]1CCCN(C(=O)[C@H](C)N2CC[NH2+]CC2=O)C1 ZINC000637797499 357364415 /nfs/dbraw/zinc/36/44/15/357364415.db2.gz AOIPKUAAWVCNCI-NWDGAFQWSA-N 2 2 282.388 -0.735 20 0 CBADLP C[NH2+]C[C@H]1CCCN(C(=O)[C@@H](C)N2CC[NH2+]CC2=O)C1 ZINC000637797501 357364534 /nfs/dbraw/zinc/36/45/34/357364534.db2.gz AOIPKUAAWVCNCI-VXGBXAGGSA-N 2 2 282.388 -0.735 20 0 CBADLP C[C@H](C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)N1CC[NH2+]CC1=O ZINC000638236444 357441020 /nfs/dbraw/zinc/44/10/20/357441020.db2.gz YFBXFHMDRHYGLN-DOMZBBRYSA-N 2 2 294.399 -0.591 20 0 CBADLP C[C@@H](C(=O)N1CCCC[C@H]1CC[NH3+])N1CC[NH2+]CC1=O ZINC000638234760 357441362 /nfs/dbraw/zinc/44/13/62/357441362.db2.gz PEOXMVBWLMEBBN-RYUDHWBXSA-N 2 2 282.388 -0.463 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@]2(C[NH3+])CCCOC2)CC1 ZINC000638055291 357406174 /nfs/dbraw/zinc/40/61/74/357406174.db2.gz HVCFOAYXWDKPOY-AWEZNQCLSA-N 2 2 285.388 -0.468 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@@]2(C[NH3+])CCCOC2)CC1 ZINC000638055298 357406357 /nfs/dbraw/zinc/40/63/57/357406357.db2.gz HVCFOAYXWDKPOY-CQSZACIVSA-N 2 2 285.388 -0.468 20 0 CBADLP C[C@@]1(C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C[NH2+]CCO1 ZINC000638051967 357406501 /nfs/dbraw/zinc/40/65/01/357406501.db2.gz VGUSEVCXTPXTFB-HIFRSBDPSA-N 2 2 297.399 -0.312 20 0 CBADLP [NH3+]C[C@]1(C(=O)NCCn2cc[nH+]c2)CCCOC1 ZINC000638051871 357406588 /nfs/dbraw/zinc/40/65/88/357406588.db2.gz UGJHSQPDMUKHFV-GFCCVEGCSA-N 2 2 252.318 -0.245 20 0 CBADLP CC(C)C[C@H](CNC(=O)[C@H](C)N1CC[NH2+]CC1=O)[NH+](C)C ZINC000638060897 357407073 /nfs/dbraw/zinc/40/70/73/357407073.db2.gz UKJIDZRNVDPLTH-QWHCGFSZSA-N 2 2 298.431 -0.101 20 0 CBADLP CC(C)[NH+]1CCN(C(=O)[C@@H](C)N2CC[NH2+]CC2=O)CC1 ZINC000638059073 357407711 /nfs/dbraw/zinc/40/77/11/357407711.db2.gz JVBGHVFDHUNQOY-GFCCVEGCSA-N 2 2 282.388 -0.641 20 0 CBADLP CC(C)[C@H](CNC(=O)[C@@]1(C)C[NH2+]CCO1)[NH+]1CCOCC1 ZINC000638060986 357407860 /nfs/dbraw/zinc/40/78/60/357407860.db2.gz WNQQAYZWUCVQLH-DZGCQCFKSA-N 2 2 299.415 -0.162 20 0 CBADLP CCOCC[NH+]1CCN(C(=O)[C@]2(C)C[C@H](OC)C[NH2+]2)CC1 ZINC000638058008 357407952 /nfs/dbraw/zinc/40/79/52/357407952.db2.gz FVEIUSAPMJDJEP-ZFWWWQNUSA-N 2 2 299.415 -0.066 20 0 CBADLP COC[C@]1(C(=O)N[C@H](C)C[NH+]2CCOCC2)CCCC[NH2+]1 ZINC000638070384 357409708 /nfs/dbraw/zinc/40/97/08/357409708.db2.gz QSAMMPBAVGQENW-HIFRSBDPSA-N 2 2 299.415 -0.018 20 0 CBADLP C[C@@H](C(=O)NCC[NH+]1CCC(C)CC1)N1CC[NH2+]CC1=O ZINC000638070264 357409730 /nfs/dbraw/zinc/40/97/30/357409730.db2.gz PVBMMEZTEDPCJY-ZDUSSCGKSA-N 2 2 296.415 -0.345 20 0 CBADLP COC[C@@]1(C(=O)N[C@@H](C)C[NH+]2CCOCC2)CCCC[NH2+]1 ZINC000638070382 357410179 /nfs/dbraw/zinc/41/01/79/357410179.db2.gz QSAMMPBAVGQENW-DZGCQCFKSA-N 2 2 299.415 -0.018 20 0 CBADLP C[C@H](C(=O)N[C@@H](C)Cn1cc[nH+]c1)N1CC[NH2+]CC1=O ZINC000638073584 357411195 /nfs/dbraw/zinc/41/11/95/357411195.db2.gz NRXWEAICTRSFDS-WDEREUQCSA-N 2 2 279.344 -0.792 20 0 CBADLP CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C)N2CC[NH2+]CC2=O)C1 ZINC000638071624 357411247 /nfs/dbraw/zinc/41/12/47/357411247.db2.gz GEUOOKBAMHTEFQ-NEPJUHHUSA-N 2 2 282.388 -0.735 20 0 CBADLP CC[N@H+]1CC[C@@H](CNC(=O)[C@@H](C)N2CC[NH2+]CC2=O)C1 ZINC000638071624 357411248 /nfs/dbraw/zinc/41/12/48/357411248.db2.gz GEUOOKBAMHTEFQ-NEPJUHHUSA-N 2 2 282.388 -0.735 20 0 CBADLP C[C@H](C(=O)NC[C@H](C)Cn1cc[nH+]c1)N1CC[NH2+]CC1=O ZINC000638077395 357412787 /nfs/dbraw/zinc/41/27/87/357412787.db2.gz RWWDFPJECCJFBL-NWDGAFQWSA-N 2 2 293.371 -0.544 20 0 CBADLP C[C@H](C(=O)N[C@H]1CC12CC[NH2+]CC2)N1CC[NH2+]CC1=O ZINC000638243873 357442371 /nfs/dbraw/zinc/44/23/71/357442371.db2.gz DVXNAHYISFYVGT-MNOVXSKESA-N 2 2 280.372 -0.935 20 0 CBADLP C[C@@H](C(=O)NCCC1CC[NH+](C)CC1)N1CC[NH2+]CC1=O ZINC000638082594 357413178 /nfs/dbraw/zinc/41/31/78/357413178.db2.gz FHCZVSUATRYZHP-LBPRGKRZSA-N 2 2 296.415 -0.345 20 0 CBADLP CCCC[N@H+](C)CCNC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638089676 357413698 /nfs/dbraw/zinc/41/36/98/357413698.db2.gz CRIQNAZBXQOQGB-GFCCVEGCSA-N 2 2 284.404 -0.345 20 0 CBADLP CCCC[N@@H+](C)CCNC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638089676 357413700 /nfs/dbraw/zinc/41/37/00/357413700.db2.gz CRIQNAZBXQOQGB-GFCCVEGCSA-N 2 2 284.404 -0.345 20 0 CBADLP C[C@H](CC[NH+](C)C)NC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638085886 357413722 /nfs/dbraw/zinc/41/37/22/357413722.db2.gz UYQOJCFWOLWCNM-GHMZBOCLSA-N 2 2 270.377 -0.737 20 0 CBADLP C[C@@H](C(=O)N1CCC[C@H]([NH+](C)C)C1)N1CC[NH2+]CC1=O ZINC000638095628 357416120 /nfs/dbraw/zinc/41/61/20/357416120.db2.gz AABIKDDAAYDQMJ-RYUDHWBXSA-N 2 2 282.388 -0.641 20 0 CBADLP Cc1c[nH+]ccc1NC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638099272 357416924 /nfs/dbraw/zinc/41/69/24/357416924.db2.gz RPBBAEUOZSGWLV-JTQLQIEISA-N 2 2 262.313 -0.429 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638100321 357417312 /nfs/dbraw/zinc/41/73/12/357417312.db2.gz YJWFSQYPEDZQCV-YPMHNXCESA-N 2 2 271.361 -0.798 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638100321 357417313 /nfs/dbraw/zinc/41/73/13/357417313.db2.gz YJWFSQYPEDZQCV-YPMHNXCESA-N 2 2 271.361 -0.798 20 0 CBADLP C[C@@H](C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)N1CC[NH2+]CC1=O ZINC000638101225 357417395 /nfs/dbraw/zinc/41/73/95/357417395.db2.gz OTSVTCHZWYAVJF-AAEUAGOBSA-N 2 2 294.399 -0.593 20 0 CBADLP C[C@@H](C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)N1CC[NH2+]CC1=O ZINC000638101225 357417397 /nfs/dbraw/zinc/41/73/97/357417397.db2.gz OTSVTCHZWYAVJF-AAEUAGOBSA-N 2 2 294.399 -0.593 20 0 CBADLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638098930 357417416 /nfs/dbraw/zinc/41/74/16/357417416.db2.gz QRJKKWIUPGOODE-CQSZACIVSA-N 2 2 285.388 -0.408 20 0 CBADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638098930 357417417 /nfs/dbraw/zinc/41/74/17/357417417.db2.gz QRJKKWIUPGOODE-CQSZACIVSA-N 2 2 285.388 -0.408 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)c1cnc(C[NH3+])nc1 ZINC000638099893 357417488 /nfs/dbraw/zinc/41/74/88/357417488.db2.gz WGULYNSLNROVFI-SNVBAGLBSA-N 2 2 279.344 -0.614 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)c1cnc(C[NH3+])nc1 ZINC000638099893 357417492 /nfs/dbraw/zinc/41/74/92/357417492.db2.gz WGULYNSLNROVFI-SNVBAGLBSA-N 2 2 279.344 -0.614 20 0 CBADLP Cc1c[nH+]ccc1NC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638099273 357417587 /nfs/dbraw/zinc/41/75/87/357417587.db2.gz RPBBAEUOZSGWLV-SNVBAGLBSA-N 2 2 262.313 -0.429 20 0 CBADLP C[C@H](C(=O)N1CC[NH+](C2CCC2)CC1)N1CC[NH2+]CC1=O ZINC000638118326 357420645 /nfs/dbraw/zinc/42/06/45/357420645.db2.gz XOONZFOHNKRRMH-GFCCVEGCSA-N 2 2 294.399 -0.497 20 0 CBADLP CC(C)OCC[NH+]1CCN(C(=O)[C@@H]2OCC[C@@H]2[NH3+])CC1 ZINC000638123663 357422290 /nfs/dbraw/zinc/42/22/90/357422290.db2.gz WZJZRJZKWYEPBJ-QWHCGFSZSA-N 2 2 285.388 -0.328 20 0 CBADLP C[C@H](C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)N1CC[NH2+]CC1=O ZINC000638121372 357422351 /nfs/dbraw/zinc/42/23/51/357422351.db2.gz FLXYPMQNNFNKTL-NEPJUHHUSA-N 2 2 298.431 -0.101 20 0 CBADLP CC[NH2+][C@H](C)C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000638126808 357422638 /nfs/dbraw/zinc/42/26/38/357422638.db2.gz ZLCCRFLHYPSHRM-SNVBAGLBSA-N 2 2 270.377 -0.608 20 0 CBADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@]2(N)CC2(F)F)CC1 ZINC000638129051 357423247 /nfs/dbraw/zinc/42/32/47/357423247.db2.gz RUMWSNLNJGONQY-GFCCVEGCSA-N 2 2 290.358 -0.135 20 0 CBADLP C[C@H](C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)N1CC[NH2+]CC1=O ZINC000638135698 357423933 /nfs/dbraw/zinc/42/39/33/357423933.db2.gz WAPWJKYNJWPESX-QJPTWQEYSA-N 2 2 294.399 -0.452 20 0 CBADLP C[C@H](C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1)N1CC[NH2+]CC1=O ZINC000638135698 357423938 /nfs/dbraw/zinc/42/39/38/357423938.db2.gz WAPWJKYNJWPESX-QJPTWQEYSA-N 2 2 294.399 -0.452 20 0 CBADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638142119 357424689 /nfs/dbraw/zinc/42/46/89/357424689.db2.gz YKDWYHHARLJNRR-DZGCQCFKSA-N 2 2 298.431 -0.506 20 0 CBADLP C[C@H](C(=O)N(C1CC1)[C@H]1CC[NH2+]C1)N1CC[NH2+]CC1=O ZINC000638138794 357424712 /nfs/dbraw/zinc/42/47/12/357424712.db2.gz NNRSACZRPUHSBJ-PWSUYJOCSA-N 2 2 280.372 -0.840 20 0 CBADLP C[C@H](CNC(=O)C1=CC[C@H]([NH3+])C1)[NH+]1CCN(C)CC1 ZINC000638139961 357425440 /nfs/dbraw/zinc/42/54/40/357425440.db2.gz IJJLOJAOBHOWJE-YPMHNXCESA-N 2 2 266.389 -0.214 20 0 CBADLP C[NH2+]CCC1CCN(C(=O)[C@@H](C)N2CC[NH2+]CC2=O)CC1 ZINC000638151704 357426637 /nfs/dbraw/zinc/42/66/37/357426637.db2.gz LOIWZIYZMHUEJK-GFCCVEGCSA-N 2 2 296.415 -0.345 20 0 CBADLP C[C@H](C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C)N1CC[NH2+]CC1=O ZINC000638158335 357427891 /nfs/dbraw/zinc/42/78/91/357427891.db2.gz PIKJZNMWIAQGGL-OUAUKWLOSA-N 2 2 268.361 -0.985 20 0 CBADLP C[C@H](C(=O)NC[C@@]1(C)CCC[NH2+]C1)N1CC[NH2+]CC1=O ZINC000638162902 357428670 /nfs/dbraw/zinc/42/86/70/357428670.db2.gz BJFUTPHXDXDAIT-RISCZKNCSA-N 2 2 282.388 -0.687 20 0 CBADLP C[C@H](C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1)N1CC[NH2+]CC1=O ZINC000638170045 357430417 /nfs/dbraw/zinc/43/04/17/357430417.db2.gz ZMGLUMXZSURFDD-RHYQMDGZSA-N 2 2 280.372 -0.998 20 0 CBADLP C[C@H](C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)N1CC[NH2+]CC1=O ZINC000638198223 357434035 /nfs/dbraw/zinc/43/40/35/357434035.db2.gz TWSZLJXFOOIOKT-OUAUKWLOSA-N 2 2 268.361 -0.807 20 0 CBADLP C[C@H](C(=O)N1CC[NH2+][C@@H](C)[C@H]1C)N1CC[NH2+]CC1=O ZINC000638205590 357435483 /nfs/dbraw/zinc/43/54/83/357435483.db2.gz IHIZOAKFTZSXJY-HBNTYKKESA-N 2 2 268.361 -0.985 20 0 CBADLP COC[C@]1(C(=O)N2CC[NH+](CCO)CC2)CCCC[NH2+]1 ZINC000638227297 357437177 /nfs/dbraw/zinc/43/71/77/357437177.db2.gz PQKXIOKPVHEPAR-AWEZNQCLSA-N 2 2 285.388 -0.718 20 0 CBADLP COc1cccc([C@H]([NH3+])C(=O)N2CC[NH+](CCO)CC2)c1 ZINC000638227032 357437532 /nfs/dbraw/zinc/43/75/32/357437532.db2.gz MBGAXSWJKXBBAU-AWEZNQCLSA-N 2 2 293.367 -0.169 20 0 CBADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CCN(C)C[C@@H]1C[NH3+])CC2 ZINC000637864090 357378765 /nfs/dbraw/zinc/37/87/65/357378765.db2.gz LSNOCTCDHLUNCJ-STQMWFEESA-N 2 2 291.399 -0.145 20 0 CBADLP CN1CCCC[C@H](C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])C1=O ZINC000637867002 357379342 /nfs/dbraw/zinc/37/93/42/357379342.db2.gz RGURNILKALWYBS-RYUDHWBXSA-N 2 2 282.388 -0.654 20 0 CBADLP CN1CCCC[C@H](C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])C1=O ZINC000637867002 357379345 /nfs/dbraw/zinc/37/93/45/357379345.db2.gz RGURNILKALWYBS-RYUDHWBXSA-N 2 2 282.388 -0.654 20 0 CBADLP C[NH2+]CCOCCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000638576016 357496771 /nfs/dbraw/zinc/49/67/71/357496771.db2.gz CBWSIZOWBJCCQF-CQSZACIVSA-N 2 2 299.415 -0.018 20 0 CBADLP C[NH2+]CCOCCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000638576016 357496776 /nfs/dbraw/zinc/49/67/76/357496776.db2.gz CBWSIZOWBJCCQF-CQSZACIVSA-N 2 2 299.415 -0.018 20 0 CBADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnc(N)nc2N)C1 ZINC000638587856 357498670 /nfs/dbraw/zinc/49/86/70/357498670.db2.gz IBNHGOWMKAGQNC-VIFPVBQESA-N 2 2 250.350 -0.267 20 0 CBADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cnc(N)nc2N)C1 ZINC000638587856 357498672 /nfs/dbraw/zinc/49/86/72/357498672.db2.gz IBNHGOWMKAGQNC-VIFPVBQESA-N 2 2 250.350 -0.267 20 0 CBADLP CC1([NH+]2CCOCC2)CCN(C(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000638604138 357499970 /nfs/dbraw/zinc/49/99/70/357499970.db2.gz ZAKALRVVNICKQX-ZDUSSCGKSA-N 2 2 297.399 -0.312 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000638608369 357501355 /nfs/dbraw/zinc/50/13/55/357501355.db2.gz AKCVMFOTDRRXRD-RWMBFGLXSA-N 2 2 267.373 -0.036 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000638608369 357501357 /nfs/dbraw/zinc/50/13/57/357501357.db2.gz AKCVMFOTDRRXRD-RWMBFGLXSA-N 2 2 267.373 -0.036 20 0 CBADLP CCOC[C@@H]1CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CCO1 ZINC000638606778 357501426 /nfs/dbraw/zinc/50/14/26/357501426.db2.gz YUUXCZCETJYKQG-RYUDHWBXSA-N 2 2 273.377 -0.471 20 0 CBADLP CCOC[C@H]1CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CCO1 ZINC000638606779 357501627 /nfs/dbraw/zinc/50/16/27/357501627.db2.gz YUUXCZCETJYKQG-VXGBXAGGSA-N 2 2 273.377 -0.471 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)CC[C@H]1CC[NH2+]C1 ZINC000638610888 357502856 /nfs/dbraw/zinc/50/28/56/357502856.db2.gz LRVFTGIQZFRNQV-RYUDHWBXSA-N 2 2 255.362 -0.177 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)CC[C@H]1CC[NH2+]C1 ZINC000638610888 357502857 /nfs/dbraw/zinc/50/28/57/357502857.db2.gz LRVFTGIQZFRNQV-RYUDHWBXSA-N 2 2 255.362 -0.177 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000638612034 357504036 /nfs/dbraw/zinc/50/40/36/357504036.db2.gz RYAFPENVVUSDHL-MNOVXSKESA-N 2 2 255.362 -0.179 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000638612034 357504037 /nfs/dbraw/zinc/50/40/37/357504037.db2.gz RYAFPENVVUSDHL-MNOVXSKESA-N 2 2 255.362 -0.179 20 0 CBADLP CC[C@@]1(C(=O)NC[C@@H]2COCC[N@@H+]2C)CCC[NH2+]1 ZINC000638612969 357504857 /nfs/dbraw/zinc/50/48/57/357504857.db2.gz YVBIIVJNUQLXJQ-YPMHNXCESA-N 2 2 255.362 -0.035 20 0 CBADLP CC[C@@]1(C(=O)NC[C@@H]2COCC[N@H+]2C)CCC[NH2+]1 ZINC000638612969 357504862 /nfs/dbraw/zinc/50/48/62/357504862.db2.gz YVBIIVJNUQLXJQ-YPMHNXCESA-N 2 2 255.362 -0.035 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)C1(C[NH3+])CCCC1 ZINC000638612973 357505415 /nfs/dbraw/zinc/50/54/15/357505415.db2.gz YWFOMNHLDKCPGA-NSHDSACASA-N 2 2 255.362 -0.048 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)C1(C[NH3+])CCCC1 ZINC000638612973 357505418 /nfs/dbraw/zinc/50/54/18/357505418.db2.gz YWFOMNHLDKCPGA-NSHDSACASA-N 2 2 255.362 -0.048 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000638612679 357505496 /nfs/dbraw/zinc/50/54/96/357505496.db2.gz XJJUPQQLZQMPKJ-NWDGAFQWSA-N 2 2 255.362 -0.035 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000638612679 357505498 /nfs/dbraw/zinc/50/54/98/357505498.db2.gz XJJUPQQLZQMPKJ-NWDGAFQWSA-N 2 2 255.362 -0.035 20 0 CBADLP O=C(NC[C@H]1COCC[NH2+]1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000638613751 357506486 /nfs/dbraw/zinc/50/64/86/357506486.db2.gz LHHQFLGMGQIAES-MNOVXSKESA-N 2 2 264.329 -0.450 20 0 CBADLP C[C@H](CC(=O)NC[C@H]1COCC[NH2+]1)n1cc[nH+]c1 ZINC000638613763 357506534 /nfs/dbraw/zinc/50/65/34/357506534.db2.gz LPQYGQOCRFWEDD-MNOVXSKESA-N 2 2 252.318 -0.061 20 0 CBADLP O=C(NC[C@H]1COCC[NH2+]1)[C@H]1CCc2[nH+]ccn2C1 ZINC000638613752 357506555 /nfs/dbraw/zinc/50/65/55/357506555.db2.gz LHHQFLGMGQIAES-QWRGUYRKSA-N 2 2 264.329 -0.450 20 0 CBADLP O=C(NC[C@@H]1COCC[NH2+]1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000638616645 357507548 /nfs/dbraw/zinc/50/75/48/357507548.db2.gz SKUHRCUWKAOLEB-LLVKDONJSA-N 2 2 287.323 -0.015 20 0 CBADLP C[C@@H](C(=O)N[C@H]1CC[NH2+]CC1(C)C)N1CC[NH2+]CC1=O ZINC000638261063 357444737 /nfs/dbraw/zinc/44/47/37/357444737.db2.gz BOSUAOMZCWOTTP-QWRGUYRKSA-N 2 2 282.388 -0.689 20 0 CBADLP C[C@H](C(=O)N[C@H]1CC[C@H](C[NH3+])C1)N1CC[NH2+]CC1=O ZINC000638267597 357445701 /nfs/dbraw/zinc/44/57/01/357445701.db2.gz HIHUPFAIOYJWPE-VWYCJHECSA-N 2 2 268.361 -0.950 20 0 CBADLP C[C@@H](C(=O)N[C@H]1CC[NH2+]C1(C)C)N1CC[NH2+]CC1=O ZINC000638270058 357446942 /nfs/dbraw/zinc/44/69/42/357446942.db2.gz FDUFEZNSPFBRTD-UWVGGRQHSA-N 2 2 268.361 -0.937 20 0 CBADLP C[C@@H](C(=O)N1CCC[C@H]1C[NH+](C)C)N1CC[NH2+]CC1=O ZINC000638275286 357448005 /nfs/dbraw/zinc/44/80/05/357448005.db2.gz LTMKMWACCZOFBO-RYUDHWBXSA-N 2 2 282.388 -0.641 20 0 CBADLP C[C@@H](C(=O)N[C@H](C[NH3+])C1CCCC1)N1CC[NH2+]CC1=O ZINC000638326047 357458084 /nfs/dbraw/zinc/45/80/84/357458084.db2.gz IHILBXSPQQNZHE-CMPLNLGQSA-N 2 2 282.388 -0.560 20 0 CBADLP C[C@@H](C(=O)NCc1ccc(C[NH3+])cc1)N1CC[NH2+]CC1=O ZINC000638374096 357463272 /nfs/dbraw/zinc/46/32/72/357463272.db2.gz MFTHGMQDGMACLY-NSHDSACASA-N 2 2 290.367 -0.418 20 0 CBADLP C[C@H](C(=O)NCc1ccc(C[NH3+])cc1)N1CC[NH2+]CC1=O ZINC000638374094 357463886 /nfs/dbraw/zinc/46/38/86/357463886.db2.gz MFTHGMQDGMACLY-LLVKDONJSA-N 2 2 290.367 -0.418 20 0 CBADLP C[C@@H](C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1)N1CC[NH2+]CC1=O ZINC000638405465 357469344 /nfs/dbraw/zinc/46/93/44/357469344.db2.gz ZXZBULSFTBBASS-RYUDHWBXSA-N 2 2 296.415 -0.204 20 0 CBADLP C[C@@H](C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1)N1CC[NH2+]CC1=O ZINC000638405465 357469346 /nfs/dbraw/zinc/46/93/46/357469346.db2.gz ZXZBULSFTBBASS-RYUDHWBXSA-N 2 2 296.415 -0.204 20 0 CBADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)c1cnc(C[NH3+])nc1 ZINC000638407421 357469717 /nfs/dbraw/zinc/46/97/17/357469717.db2.gz VPLWZXLHXWABOS-MNOVXSKESA-N 2 2 293.371 -0.226 20 0 CBADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1cnc(C[NH3+])nc1 ZINC000638407421 357469721 /nfs/dbraw/zinc/46/97/21/357469721.db2.gz VPLWZXLHXWABOS-MNOVXSKESA-N 2 2 293.371 -0.226 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638409172 357470917 /nfs/dbraw/zinc/47/09/17/357470917.db2.gz MUYJTEYUADGWTK-CQSZACIVSA-N 3 2 286.420 -0.635 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638409172 357470918 /nfs/dbraw/zinc/47/09/18/357470918.db2.gz MUYJTEYUADGWTK-CQSZACIVSA-N 3 2 286.420 -0.635 20 0 CBADLP C[C@@]1(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C[NH2+]CCO1 ZINC000638413878 357471512 /nfs/dbraw/zinc/47/15/12/357471512.db2.gz HLSWDJONQFMXIW-JSGCOSHPSA-N 2 2 283.372 -0.702 20 0 CBADLP [NH3+]C[C@@]1(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CCCOC1 ZINC000638413587 357471839 /nfs/dbraw/zinc/47/18/39/357471839.db2.gz AQJZOAPRPDNCME-HIFRSBDPSA-N 2 2 297.399 -0.325 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+]CCC[C@@H]2CCO2)CC1 ZINC000638439193 357476281 /nfs/dbraw/zinc/47/62/81/357476281.db2.gz CDCZEMNWRMZDMY-GFCCVEGCSA-N 2 2 255.362 -0.081 20 0 CBADLP C[C@H](C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1)N1CC[NH2+]CC1=O ZINC000638440805 357477608 /nfs/dbraw/zinc/47/76/08/357477608.db2.gz BOJUBYHOYQUECH-JTNHKYCSSA-N 2 2 280.372 -0.854 20 0 CBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CCC[NH2+]CC1 ZINC000638444866 357478514 /nfs/dbraw/zinc/47/85/14/357478514.db2.gz BNSMPVIPTVSNDG-KGLIPLIRSA-N 2 2 299.415 -0.472 20 0 CBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638445025 357478626 /nfs/dbraw/zinc/47/86/26/357478626.db2.gz DPOAVTLAZWPNKD-CHWSQXEVSA-N 2 2 283.372 -0.815 20 0 CBADLP CC[C@@]1(C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)CCC[NH2+]1 ZINC000638446875 357479723 /nfs/dbraw/zinc/47/97/23/357479723.db2.gz VCLUXDYGLJVIDC-ZFWWWQNUSA-N 2 2 299.415 -0.330 20 0 CBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]([NH3+])C(C)(C)C ZINC000638447004 357479937 /nfs/dbraw/zinc/47/99/37/357479937.db2.gz YZBPWQCNSZQTFH-VXGBXAGGSA-N 2 2 287.404 -0.489 20 0 CBADLP C[NH+](C)CCC[C@H]1CN(Cc2c[nH+]c(N)nc2N)CCO1 ZINC000639334592 357567805 /nfs/dbraw/zinc/56/78/05/357567805.db2.gz GVKFDZCDZINAIN-LBPRGKRZSA-N 2 2 294.403 -0.156 20 0 CBADLP Cn1cc(C[N@H+](C)[C@H]2C[NH+]3CCC2CC3)c(=O)n(C)c1=O ZINC000639396944 357571296 /nfs/dbraw/zinc/57/12/96/357571296.db2.gz MNLUAJRGQCVOOZ-ZDUSSCGKSA-N 2 2 292.383 -0.390 20 0 CBADLP Cn1cc(C[N@@H+](C)[C@H]2C[NH+]3CCC2CC3)c(=O)n(C)c1=O ZINC000639396944 357571299 /nfs/dbraw/zinc/57/12/99/357571299.db2.gz MNLUAJRGQCVOOZ-ZDUSSCGKSA-N 2 2 292.383 -0.390 20 0 CBADLP CN(Cc1c[nH+]c(N)nc1N)[C@@H]1C[NH+]2CCC1CC2 ZINC000639393464 357571717 /nfs/dbraw/zinc/57/17/17/357571717.db2.gz YONHSUCGPGQJQC-LLVKDONJSA-N 2 2 262.361 -0.172 20 0 CBADLP COCC[N@H+](CCc1c[nH+]cn1C)[C@@H](C)C(N)=O ZINC000639481521 357574191 /nfs/dbraw/zinc/57/41/91/357574191.db2.gz WTNKMNILRYPTEL-JTQLQIEISA-N 2 2 254.334 -0.215 20 0 CBADLP COCC[N@@H+](CCc1c[nH+]cn1C)[C@@H](C)C(N)=O ZINC000639481521 357574194 /nfs/dbraw/zinc/57/41/94/357574194.db2.gz WTNKMNILRYPTEL-JTQLQIEISA-N 2 2 254.334 -0.215 20 0 CBADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000639482495 357574462 /nfs/dbraw/zinc/57/44/62/357574462.db2.gz BMEUPLHSVLVEES-NSHDSACASA-N 2 2 286.401 -0.024 20 0 CBADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000639482495 357574465 /nfs/dbraw/zinc/57/44/65/357574465.db2.gz BMEUPLHSVLVEES-NSHDSACASA-N 2 2 286.401 -0.024 20 0 CBADLP COc1ccccc1[C@H]([NH3+])C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000638624029 357512903 /nfs/dbraw/zinc/51/29/03/357512903.db2.gz MUJSZYCGAFGHAL-MFKMUULPSA-N 2 2 279.340 -0.200 20 0 CBADLP CCc1c[nH]c(CC(=O)NCCOCCC[NH3+])[nH+]1 ZINC000638664666 357518367 /nfs/dbraw/zinc/51/83/67/357518367.db2.gz RNXDETPQJWLYQF-UHFFFAOYSA-N 2 2 254.334 -0.004 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCO[C@@H](CCF)C1 ZINC000638683157 357520955 /nfs/dbraw/zinc/52/09/55/357520955.db2.gz CSSBDRWIPUORSV-QWRGUYRKSA-N 2 2 261.341 -0.148 20 0 CBADLP C[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000638732336 357526425 /nfs/dbraw/zinc/52/64/25/357526425.db2.gz VTNURPJQOMFMRH-WCQYABFASA-N 2 2 278.356 -0.254 20 0 CBADLP C[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000638732336 357526428 /nfs/dbraw/zinc/52/64/28/357526428.db2.gz VTNURPJQOMFMRH-WCQYABFASA-N 2 2 278.356 -0.254 20 0 CBADLP [NH3+]C1(C(=O)NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)CC1 ZINC000638728488 357526436 /nfs/dbraw/zinc/52/64/36/357526436.db2.gz AJNHEZITJDSSKR-ZDUSSCGKSA-N 2 2 290.367 -0.110 20 0 CBADLP [NH3+]C1(C(=O)NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)CC1 ZINC000638728488 357526439 /nfs/dbraw/zinc/52/64/39/357526439.db2.gz AJNHEZITJDSSKR-ZDUSSCGKSA-N 2 2 290.367 -0.110 20 0 CBADLP C[C@H](C(=O)N1CCCCC[C@H]([NH3+])C1)N1CC[NH2+]CC1=O ZINC000638814531 357533572 /nfs/dbraw/zinc/53/35/72/357533572.db2.gz CVGNWIDTYJCAPW-NEPJUHHUSA-N 2 2 282.388 -0.463 20 0 CBADLP CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)[C@@H]1C[NH+]2CCC1CC2 ZINC000638853784 357539204 /nfs/dbraw/zinc/53/92/04/357539204.db2.gz JSYINICGKDFAGK-CHWSQXEVSA-N 3 2 268.405 -0.182 20 0 CBADLP CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)[C@@H]1C[NH+]2CCC1CC2 ZINC000638853786 357539286 /nfs/dbraw/zinc/53/92/86/357539286.db2.gz JSYINICGKDFAGK-QWHCGFSZSA-N 3 2 268.405 -0.182 20 0 CBADLP C[C@H](C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)[NH+]1CCN(C)CC1 ZINC000638914982 357542768 /nfs/dbraw/zinc/54/27/68/357542768.db2.gz GOFUVMMZTVBZOR-WOPDTQHZSA-N 2 2 252.362 -0.805 20 0 CBADLP Cn1c[nH+]cc1CC[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000639583383 357578514 /nfs/dbraw/zinc/57/85/14/357578514.db2.gz LOANUPZQHIIWJV-CYBMUJFWSA-N 2 2 250.346 -0.021 20 0 CBADLP Cn1c[nH+]cc1CC[N@H+]1CCN2CCOC[C@H]2C1 ZINC000639583383 357578519 /nfs/dbraw/zinc/57/85/19/357578519.db2.gz LOANUPZQHIIWJV-CYBMUJFWSA-N 2 2 250.346 -0.021 20 0 CBADLP [NH3+]C1(C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)CC1 ZINC000638987536 357549315 /nfs/dbraw/zinc/54/93/15/357549315.db2.gz UJUCDHZCPRVDEZ-UHFFFAOYSA-N 3 2 261.329 -0.079 20 0 CBADLP C[C@@H](C(=O)NC1(C[NH3+])CCCCC1)N1CC[NH2+]CC1=O ZINC000638997536 357550114 /nfs/dbraw/zinc/55/01/14/357550114.db2.gz JWYSBAINFFMEOQ-NSHDSACASA-N 2 2 282.388 -0.416 20 0 CBADLP C[NH2+]CCC(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000639003568 357550659 /nfs/dbraw/zinc/55/06/59/357550659.db2.gz IEJCCZJHDRQOHJ-UHFFFAOYSA-N 2 2 277.372 -0.227 20 0 CBADLP CCC[C@@]1(C)C(=O)NCCN1C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000639016861 357552316 /nfs/dbraw/zinc/55/23/16/357552316.db2.gz OOXDXYIKVQHHIJ-FZMZJTMJSA-N 2 2 284.404 -0.217 20 0 CBADLP C[C@@H]1C[N@H+](C)[C@@H](C)CN1Cc1c[nH+]c(N)nc1N ZINC000639057575 357556131 /nfs/dbraw/zinc/55/61/31/357556131.db2.gz BTPPHFYRNHARMB-DTWKUNHWSA-N 2 2 250.350 -0.174 20 0 CBADLP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1Cc1c[nH+]c(N)nc1N ZINC000639057575 357556134 /nfs/dbraw/zinc/55/61/34/357556134.db2.gz BTPPHFYRNHARMB-DTWKUNHWSA-N 2 2 250.350 -0.174 20 0 CBADLP CO[C@@H]1C[N@H+](C[C@@H](O)C[NH+](C)C2CC2)[C@@](C)(CO)C1 ZINC000640003998 357626949 /nfs/dbraw/zinc/62/69/49/357626949.db2.gz KOVUZALDGREFRI-MELADBBJSA-N 2 2 272.389 -0.087 20 0 CBADLP CO[C@@H]1C[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)[C@@](C)(CO)C1 ZINC000640003998 357626950 /nfs/dbraw/zinc/62/69/50/357626950.db2.gz KOVUZALDGREFRI-MELADBBJSA-N 2 2 272.389 -0.087 20 0 CBADLP CO[C@@H]1C[NH+](C[C@@H](O)C[N@H+](C)C2CC2)[C@@](C)(CO)C1 ZINC000640003998 357626952 /nfs/dbraw/zinc/62/69/52/357626952.db2.gz KOVUZALDGREFRI-MELADBBJSA-N 2 2 272.389 -0.087 20 0 CBADLP CO[C@@H]1C[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)[C@@](C)(CO)C1 ZINC000640003998 357626953 /nfs/dbraw/zinc/62/69/53/357626953.db2.gz KOVUZALDGREFRI-MELADBBJSA-N 2 2 272.389 -0.087 20 0 CBADLP CO[C@@H]1C[N@H+](C[C@@H](O)C[NH+](C)C2CC2)[C@](C)(CO)C1 ZINC000640003997 357627233 /nfs/dbraw/zinc/62/72/33/357627233.db2.gz KOVUZALDGREFRI-IHRRRGAJSA-N 2 2 272.389 -0.087 20 0 CBADLP CO[C@@H]1C[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)[C@](C)(CO)C1 ZINC000640003997 357627240 /nfs/dbraw/zinc/62/72/40/357627240.db2.gz KOVUZALDGREFRI-IHRRRGAJSA-N 2 2 272.389 -0.087 20 0 CBADLP CO[C@@H]1C[NH+](C[C@@H](O)C[N@H+](C)C2CC2)[C@](C)(CO)C1 ZINC000640003997 357627244 /nfs/dbraw/zinc/62/72/44/357627244.db2.gz KOVUZALDGREFRI-IHRRRGAJSA-N 2 2 272.389 -0.087 20 0 CBADLP CO[C@@H]1C[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)[C@](C)(CO)C1 ZINC000640003997 357627247 /nfs/dbraw/zinc/62/72/47/357627247.db2.gz KOVUZALDGREFRI-IHRRRGAJSA-N 2 2 272.389 -0.087 20 0 CBADLP Cn1c[nH+]cc1CC[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000639583384 357579218 /nfs/dbraw/zinc/57/92/18/357579218.db2.gz LOANUPZQHIIWJV-ZDUSSCGKSA-N 2 2 250.346 -0.021 20 0 CBADLP Cn1c[nH+]cc1CC[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000639583384 357579221 /nfs/dbraw/zinc/57/92/21/357579221.db2.gz LOANUPZQHIIWJV-ZDUSSCGKSA-N 2 2 250.346 -0.021 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](c2cc(=O)[nH]c(=O)[nH]2)C1 ZINC000639712877 357587933 /nfs/dbraw/zinc/58/79/33/357587933.db2.gz DHEHGTCLDXHYEO-GHMZBOCLSA-N 2 2 296.371 -0.010 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](c2cc(=O)[nH]c(=O)[nH]2)C1 ZINC000639712877 357587936 /nfs/dbraw/zinc/58/79/36/357587936.db2.gz DHEHGTCLDXHYEO-GHMZBOCLSA-N 2 2 296.371 -0.010 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](c2cc(=O)[nH]c(=O)[nH]2)C1 ZINC000639712877 357587938 /nfs/dbraw/zinc/58/79/38/357587938.db2.gz DHEHGTCLDXHYEO-GHMZBOCLSA-N 2 2 296.371 -0.010 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](c2cc(=O)[nH]c(=O)[nH]2)C1 ZINC000639712877 357587940 /nfs/dbraw/zinc/58/79/40/357587940.db2.gz DHEHGTCLDXHYEO-GHMZBOCLSA-N 2 2 296.371 -0.010 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](c2cc(=O)[nH]c(=O)[nH]2)C1 ZINC000639712880 357588083 /nfs/dbraw/zinc/58/80/83/357588083.db2.gz DHEHGTCLDXHYEO-WDEREUQCSA-N 2 2 296.371 -0.010 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](c2cc(=O)[nH]c(=O)[nH]2)C1 ZINC000639712880 357588084 /nfs/dbraw/zinc/58/80/84/357588084.db2.gz DHEHGTCLDXHYEO-WDEREUQCSA-N 2 2 296.371 -0.010 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](c2cc(=O)[nH]c(=O)[nH]2)C1 ZINC000639712880 357588086 /nfs/dbraw/zinc/58/80/86/357588086.db2.gz DHEHGTCLDXHYEO-WDEREUQCSA-N 2 2 296.371 -0.010 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](c2cc(=O)[nH]c(=O)[nH]2)C1 ZINC000639712880 357588087 /nfs/dbraw/zinc/58/80/87/357588087.db2.gz DHEHGTCLDXHYEO-WDEREUQCSA-N 2 2 296.371 -0.010 20 0 CBADLP C[NH+](C)C[C@]1(O)CCC[N@H+](CCc2c[nH]nn2)C1 ZINC000639761697 357595616 /nfs/dbraw/zinc/59/56/16/357595616.db2.gz CZXZYFGLOBCGBE-GFCCVEGCSA-N 2 2 253.350 -0.264 20 0 CBADLP C[NH+](C)C[C@]1(O)CCC[N@@H+](CCc2c[nH]nn2)C1 ZINC000639761697 357595620 /nfs/dbraw/zinc/59/56/20/357595620.db2.gz CZXZYFGLOBCGBE-GFCCVEGCSA-N 2 2 253.350 -0.264 20 0 CBADLP C[NH+](C)C[C@]1(O)CCC[N@H+](CCc2cn[nH]n2)C1 ZINC000639761697 357595624 /nfs/dbraw/zinc/59/56/24/357595624.db2.gz CZXZYFGLOBCGBE-GFCCVEGCSA-N 2 2 253.350 -0.264 20 0 CBADLP C[NH+](C)C[C@]1(O)CCC[N@@H+](CCc2cn[nH]n2)C1 ZINC000639761697 357595628 /nfs/dbraw/zinc/59/56/28/357595628.db2.gz CZXZYFGLOBCGBE-GFCCVEGCSA-N 2 2 253.350 -0.264 20 0 CBADLP CN1CC(=O)N(CC[N@@H+]2CCC[C@@](O)(C[NH+](C)C)C2)C1=O ZINC000639761684 357595855 /nfs/dbraw/zinc/59/58/55/357595855.db2.gz HVILCYUHJSDXDW-CQSZACIVSA-N 2 2 298.387 -0.731 20 0 CBADLP CN1CC(=O)N(CC[N@H+]2CCC[C@@](O)(C[NH+](C)C)C2)C1=O ZINC000639761684 357595859 /nfs/dbraw/zinc/59/58/59/357595859.db2.gz HVILCYUHJSDXDW-CQSZACIVSA-N 2 2 298.387 -0.731 20 0 CBADLP C[C@@H]1NC(=O)N(CC[N@@H+]2CCC[C@](O)(C[NH+](C)C)C2)C1=O ZINC000639762056 357596530 /nfs/dbraw/zinc/59/65/30/357596530.db2.gz JMZTXHJUOIBEMS-FZMZJTMJSA-N 2 2 298.387 -0.685 20 0 CBADLP C[C@@H]1NC(=O)N(CC[N@H+]2CCC[C@](O)(C[NH+](C)C)C2)C1=O ZINC000639762056 357596532 /nfs/dbraw/zinc/59/65/32/357596532.db2.gz JMZTXHJUOIBEMS-FZMZJTMJSA-N 2 2 298.387 -0.685 20 0 CBADLP CC(=O)[C@](C)(O)C[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639765975 357597653 /nfs/dbraw/zinc/59/76/53/357597653.db2.gz LAPLEOYWQBMLJT-OLZOCXBDSA-N 2 2 258.362 -0.285 20 0 CBADLP CC(=O)[C@](C)(O)C[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639765975 357597654 /nfs/dbraw/zinc/59/76/54/357597654.db2.gz LAPLEOYWQBMLJT-OLZOCXBDSA-N 2 2 258.362 -0.285 20 0 CBADLP C[N@H+](C[C@H](O)C[NH+]1C[C@H](O)C[C@@]1(C)CO)C1CC1 ZINC000639847374 357604809 /nfs/dbraw/zinc/60/48/09/357604809.db2.gz AVLXCLZJHVFCDT-AGIUHOORSA-N 2 2 258.362 -0.741 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH+]1C[C@H](O)C[C@@]1(C)CO)C1CC1 ZINC000639847374 357604810 /nfs/dbraw/zinc/60/48/10/357604810.db2.gz AVLXCLZJHVFCDT-AGIUHOORSA-N 2 2 258.362 -0.741 20 0 CBADLP C[NH+](C[C@H](O)C[N@@H+]1C[C@H](O)C[C@@]1(C)CO)C1CC1 ZINC000639847374 357604812 /nfs/dbraw/zinc/60/48/12/357604812.db2.gz AVLXCLZJHVFCDT-AGIUHOORSA-N 2 2 258.362 -0.741 20 0 CBADLP C[NH+](C[C@H](O)C[N@H+]1C[C@H](O)C[C@@]1(C)CO)C1CC1 ZINC000639847374 357604814 /nfs/dbraw/zinc/60/48/14/357604814.db2.gz AVLXCLZJHVFCDT-AGIUHOORSA-N 2 2 258.362 -0.741 20 0 CBADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@H](O)C[C@]1(C)CO ZINC000639848849 357606083 /nfs/dbraw/zinc/60/60/83/357606083.db2.gz JLHSGVDGQMQZOC-FRRDWIJNSA-N 2 2 260.378 -0.495 20 0 CBADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](O)C[C@]1(C)CO ZINC000639848849 357606086 /nfs/dbraw/zinc/60/60/86/357606086.db2.gz JLHSGVDGQMQZOC-FRRDWIJNSA-N 2 2 260.378 -0.495 20 0 CBADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](O)C[C@]1(C)CO ZINC000639848849 357606089 /nfs/dbraw/zinc/60/60/89/357606089.db2.gz JLHSGVDGQMQZOC-FRRDWIJNSA-N 2 2 260.378 -0.495 20 0 CBADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1C[C@H](O)C[C@]1(C)CO ZINC000639848849 357606090 /nfs/dbraw/zinc/60/60/90/357606090.db2.gz JLHSGVDGQMQZOC-FRRDWIJNSA-N 2 2 260.378 -0.495 20 0 CBADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](O)C[C@@]1(C)CO ZINC000639848848 357606163 /nfs/dbraw/zinc/60/61/63/357606163.db2.gz JLHSGVDGQMQZOC-AVGNSLFASA-N 2 2 260.378 -0.495 20 0 CBADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](O)C[C@@]1(C)CO ZINC000639848848 357606166 /nfs/dbraw/zinc/60/61/66/357606166.db2.gz JLHSGVDGQMQZOC-AVGNSLFASA-N 2 2 260.378 -0.495 20 0 CBADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](O)C[C@@]1(C)CO ZINC000639848848 357606167 /nfs/dbraw/zinc/60/61/67/357606167.db2.gz JLHSGVDGQMQZOC-AVGNSLFASA-N 2 2 260.378 -0.495 20 0 CBADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](O)C[C@@]1(C)CO ZINC000639848848 357606170 /nfs/dbraw/zinc/60/61/70/357606170.db2.gz JLHSGVDGQMQZOC-AVGNSLFASA-N 2 2 260.378 -0.495 20 0 CBADLP Cn1c[nH+]cc1CC[N@@H+]1CCO[C@@H](Cn2ccnn2)C1 ZINC000639856817 357609973 /nfs/dbraw/zinc/60/99/73/357609973.db2.gz XHRSFJALDOHQPM-CYBMUJFWSA-N 2 2 276.344 -0.045 20 0 CBADLP Cn1c[nH+]cc1CC[N@H+]1CCO[C@@H](Cn2ccnn2)C1 ZINC000639856817 357609974 /nfs/dbraw/zinc/60/99/74/357609974.db2.gz XHRSFJALDOHQPM-CYBMUJFWSA-N 2 2 276.344 -0.045 20 0 CBADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)[C@H](C[NH3+])C1 ZINC000641194282 357678259 /nfs/dbraw/zinc/67/82/59/357678259.db2.gz NSXYFCNMJCIKRT-QJPTWQEYSA-N 3 2 269.393 -0.459 20 0 CBADLP C[N@H+]1CCN(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)[C@H](C[NH3+])C1 ZINC000641194282 357678263 /nfs/dbraw/zinc/67/82/63/357678263.db2.gz NSXYFCNMJCIKRT-QJPTWQEYSA-N 3 2 269.393 -0.459 20 0 CBADLP C[NH2+]C(C)(C)c1cn(C[C@@H](O)C[NH+]2CCOCC2)nn1 ZINC000641208353 357679174 /nfs/dbraw/zinc/67/91/74/357679174.db2.gz QHZIXKINCWJBBW-NSHDSACASA-N 2 2 283.376 -0.574 20 0 CBADLP C[N@H+](CCOC[C@H]1CCCO1)CC(=O)N1CC[NH+](C)CC1 ZINC000640058299 357632204 /nfs/dbraw/zinc/63/22/04/357632204.db2.gz LIMRLUDJBJHYGM-CQSZACIVSA-N 2 2 299.415 -0.112 20 0 CBADLP C[N@@H+](CCOC[C@H]1CCCO1)CC(=O)N1CC[NH+](C)CC1 ZINC000640058299 357632209 /nfs/dbraw/zinc/63/22/09/357632209.db2.gz LIMRLUDJBJHYGM-CQSZACIVSA-N 2 2 299.415 -0.112 20 0 CBADLP Cn1cc(CC[N@H+](C)CC(=O)N2CC[NH+](C)CC2)cn1 ZINC000640057772 357632291 /nfs/dbraw/zinc/63/22/91/357632291.db2.gz CBLSAAAGENIJOG-UHFFFAOYSA-N 2 2 279.388 -0.332 20 0 CBADLP Cn1cc(CC[N@@H+](C)CC(=O)N2CC[NH+](C)CC2)cn1 ZINC000640057772 357632292 /nfs/dbraw/zinc/63/22/92/357632292.db2.gz CBLSAAAGENIJOG-UHFFFAOYSA-N 2 2 279.388 -0.332 20 0 CBADLP CCCCNC(=O)CC[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640057899 357633185 /nfs/dbraw/zinc/63/31/85/357633185.db2.gz HTNQEUOERVIJON-UHFFFAOYSA-N 2 2 298.431 -0.001 20 0 CBADLP CCCCNC(=O)CC[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640057899 357633186 /nfs/dbraw/zinc/63/31/86/357633186.db2.gz HTNQEUOERVIJON-UHFFFAOYSA-N 2 2 298.431 -0.001 20 0 CBADLP CCCNC(=O)CCC[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640051691 357633192 /nfs/dbraw/zinc/63/31/92/357633192.db2.gz WGCNKTHCFOZBQZ-UHFFFAOYSA-N 2 2 298.431 -0.001 20 0 CBADLP CCCNC(=O)CCC[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640051691 357633193 /nfs/dbraw/zinc/63/31/93/357633193.db2.gz WGCNKTHCFOZBQZ-UHFFFAOYSA-N 2 2 298.431 -0.001 20 0 CBADLP Cc1cnn(CC[N@@H+](C)CC(=O)N2CC[NH+](C)CC2)c1 ZINC000640059025 357633274 /nfs/dbraw/zinc/63/32/74/357633274.db2.gz NQPHRMAIPQNRNX-UHFFFAOYSA-N 2 2 279.388 -0.103 20 0 CBADLP Cc1cnn(CC[N@H+](C)CC(=O)N2CC[NH+](C)CC2)c1 ZINC000640059025 357633275 /nfs/dbraw/zinc/63/32/75/357633275.db2.gz NQPHRMAIPQNRNX-UHFFFAOYSA-N 2 2 279.388 -0.103 20 0 CBADLP CCOC[C@@H](O)C[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640060075 357633617 /nfs/dbraw/zinc/63/36/17/357633617.db2.gz YYENOHRIBVELCY-LBPRGKRZSA-N 2 2 273.377 -0.910 20 0 CBADLP CCOC[C@@H](O)C[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640060075 357633621 /nfs/dbraw/zinc/63/36/21/357633621.db2.gz YYENOHRIBVELCY-LBPRGKRZSA-N 2 2 273.377 -0.910 20 0 CBADLP COC[C@@H](C[N@H+](C)CC(=O)N1CC[NH+](C)CC1)OC ZINC000640061952 357633699 /nfs/dbraw/zinc/63/36/99/357633699.db2.gz OIFGMMWPEZPOHM-GFCCVEGCSA-N 2 2 273.377 -0.646 20 0 CBADLP COC[C@@H](C[N@@H+](C)CC(=O)N1CC[NH+](C)CC1)OC ZINC000640061952 357633704 /nfs/dbraw/zinc/63/37/04/357633704.db2.gz OIFGMMWPEZPOHM-GFCCVEGCSA-N 2 2 273.377 -0.646 20 0 CBADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H](O)CC1(O)CCC1 ZINC000640065258 357633862 /nfs/dbraw/zinc/63/38/62/357633862.db2.gz XYYHBKBMJALTRP-ZDUSSCGKSA-N 2 2 299.415 -0.642 20 0 CBADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H](O)CC1(O)CCC1 ZINC000640065258 357633868 /nfs/dbraw/zinc/63/38/68/357633868.db2.gz XYYHBKBMJALTRP-ZDUSSCGKSA-N 2 2 299.415 -0.642 20 0 CBADLP C[N@@H+]1C[C@@H]2CN(S(=O)(=O)CCn3cc[nH+]c3)C[C@@H]2C1 ZINC000641463550 357708496 /nfs/dbraw/zinc/70/84/96/357708496.db2.gz OZYXBOKJBAOZDF-TXEJJXNPSA-N 2 2 284.385 -0.294 20 0 CBADLP C[N@H+]1C[C@@H]2CN(S(=O)(=O)CCn3cc[nH+]c3)C[C@@H]2C1 ZINC000641463550 357708497 /nfs/dbraw/zinc/70/84/97/357708497.db2.gz OZYXBOKJBAOZDF-TXEJJXNPSA-N 2 2 284.385 -0.294 20 0 CBADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2C[C@H]3C[C@@]3(O)C2)CC1 ZINC000641817239 357744632 /nfs/dbraw/zinc/74/46/32/357744632.db2.gz QCJCCFQJVMWFDX-IUODEOHRSA-N 2 2 296.415 -0.211 20 0 CBADLP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000641825051 357746292 /nfs/dbraw/zinc/74/62/92/357746292.db2.gz PXSUTUACIADCAU-LLVKDONJSA-N 2 2 282.388 -0.641 20 0 CBADLP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000641825051 357746295 /nfs/dbraw/zinc/74/62/95/357746295.db2.gz PXSUTUACIADCAU-LLVKDONJSA-N 2 2 282.388 -0.641 20 0 CBADLP C[C@H]([NH3+])CNC(=O)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000642327639 357753547 /nfs/dbraw/zinc/75/35/47/357753547.db2.gz SCKBZFUDHVDAJS-NSHDSACASA-N 2 2 290.367 -0.418 20 0 CBADLP C[C@H](C[NH3+])NC(=O)C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000642788779 357763421 /nfs/dbraw/zinc/76/34/21/357763421.db2.gz CGNBSLSEMVNYQB-MFKMUULPSA-N 2 2 290.367 -0.247 20 0 CBADLP C[C@H](C[NH3+])NC(=O)C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000642788779 357763429 /nfs/dbraw/zinc/76/34/29/357763429.db2.gz CGNBSLSEMVNYQB-MFKMUULPSA-N 2 2 290.367 -0.247 20 0 CBADLP CN(CC[NH3+])C(=O)C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000642789142 357763558 /nfs/dbraw/zinc/76/35/58/357763558.db2.gz SNHRUQBUWSVTDG-ZDUSSCGKSA-N 2 2 290.367 -0.294 20 0 CBADLP CN(CC[NH3+])C(=O)C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000642789142 357763560 /nfs/dbraw/zinc/76/35/60/357763560.db2.gz SNHRUQBUWSVTDG-ZDUSSCGKSA-N 2 2 290.367 -0.294 20 0 CBADLP O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000642914726 357769329 /nfs/dbraw/zinc/76/93/29/357769329.db2.gz QOLJSFQCICUBPV-LLVKDONJSA-N 2 2 280.372 -0.839 20 0 CBADLP C[NH+](C)[C@H]1CN(C(=O)NCCn2cc[nH+]c2)C[C@@H]1O ZINC000642935787 357771268 /nfs/dbraw/zinc/77/12/68/357771268.db2.gz ZKTQXSGXVGPVID-QWRGUYRKSA-N 2 2 267.333 -0.801 20 0 CBADLP O=C(N[C@H]1CCCC[NH2+]C1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000642929666 357771432 /nfs/dbraw/zinc/77/14/32/357771432.db2.gz UHZYSUBNSDEEGQ-LBPRGKRZSA-N 2 2 294.399 -0.449 20 0 CBADLP C[NH+](C)[C@H]1CN(C(=O)NCCCn2cc[nH+]c2)C[C@@H]1O ZINC000642935994 357771484 /nfs/dbraw/zinc/77/14/84/357771484.db2.gz HLGSRNOWEQOZSG-RYUDHWBXSA-N 2 2 281.360 -0.411 20 0 CBADLP [NH3+]C1(CNC(=O)C(=O)N2CC[NH+](C3CC3)CC2)CCC1 ZINC000642979337 357773231 /nfs/dbraw/zinc/77/32/31/357773231.db2.gz LELGWKAQCZOJSD-UHFFFAOYSA-N 2 2 280.372 -0.709 20 0 CBADLP C[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000643591550 357791249 /nfs/dbraw/zinc/79/12/49/357791249.db2.gz KCFOONFMMVHYPP-NEPJUHHUSA-N 2 2 280.372 -0.887 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000643472257 357784190 /nfs/dbraw/zinc/78/41/90/357784190.db2.gz MQNMNNDQBHVUIL-STQMWFEESA-N 3 2 268.405 -0.133 20 0 CBADLP CC[C@H]1CN(C(=O)C(=O)N2CC[NH+](CC)CC2)CC[C@H]1[NH3+] ZINC000643472976 357785161 /nfs/dbraw/zinc/78/51/61/357785161.db2.gz ZCLVFQXWUHSRAC-QWHCGFSZSA-N 2 2 296.415 -0.264 20 0 CBADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C3CC3)CC2)C[C@@H]1[NH3+] ZINC000643483832 357785256 /nfs/dbraw/zinc/78/52/56/357785256.db2.gz LLNRDKFIPFGAEX-PWSUYJOCSA-N 2 2 280.372 -0.901 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[NH2+][C@@H](C(C)C)C2)CC1 ZINC000643472950 357785281 /nfs/dbraw/zinc/78/52/81/357785281.db2.gz UISSUJCFKMOBNW-CYBMUJFWSA-N 2 2 296.415 -0.393 20 0 CBADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C3CC3)CC2)C[C@@H](C)[NH2+]1 ZINC000643483876 357785846 /nfs/dbraw/zinc/78/58/46/357785846.db2.gz MOTOJNKIAJIIPS-VXGBXAGGSA-N 2 2 294.399 -0.498 20 0 CBADLP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC000643483866 357785943 /nfs/dbraw/zinc/78/59/43/357785943.db2.gz MHRPZKRWQYQLLU-LLVKDONJSA-N 2 2 280.372 -0.887 20 0 CBADLP CNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000377571643 283318269 /nfs/dbraw/zinc/31/82/69/283318269.db2.gz LUVQYOMUYOLAKH-CHWSQXEVSA-N 2 2 296.415 -0.345 20 0 CBADLP CNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000377571643 283318272 /nfs/dbraw/zinc/31/82/72/283318272.db2.gz LUVQYOMUYOLAKH-CHWSQXEVSA-N 2 2 296.415 -0.345 20 0 CBADLP CNC(=O)NC(=O)CC[N@@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000373135894 283348906 /nfs/dbraw/zinc/34/89/06/283348906.db2.gz BKVHQFDCPADOMD-GHMZBOCLSA-N 2 2 268.361 -0.142 20 0 CBADLP CNC(=O)NC(=O)CC[N@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000373135894 283348909 /nfs/dbraw/zinc/34/89/09/283348909.db2.gz BKVHQFDCPADOMD-GHMZBOCLSA-N 2 2 268.361 -0.142 20 0 CBADLP CNC(=O)NC(=O)CC[NH+]1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000373135894 283348911 /nfs/dbraw/zinc/34/89/11/283348911.db2.gz BKVHQFDCPADOMD-GHMZBOCLSA-N 2 2 268.361 -0.142 20 0 CBADLP CNC(=O)NC(=O)CC[NH+]1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000373135894 283348912 /nfs/dbraw/zinc/34/89/12/283348912.db2.gz BKVHQFDCPADOMD-GHMZBOCLSA-N 2 2 268.361 -0.142 20 0 CBADLP C[N@@H+]1CCO[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC000329211143 202234433 /nfs/dbraw/zinc/23/44/33/202234433.db2.gz ZCYYFYRVTKRERM-NWDGAFQWSA-N 2 2 264.329 -0.185 20 0 CBADLP C[N@H+]1CCO[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC000329211143 202234437 /nfs/dbraw/zinc/23/44/37/202234437.db2.gz ZCYYFYRVTKRERM-NWDGAFQWSA-N 2 2 264.329 -0.185 20 0 CBADLP CNC(=O)NCC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000341365014 283368098 /nfs/dbraw/zinc/36/80/98/283368098.db2.gz NDYSEONJVSNCOV-UHFFFAOYSA-N 2 2 299.419 -0.600 20 0 CBADLP CNC(=O)NCC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000341365014 283368100 /nfs/dbraw/zinc/36/81/00/283368100.db2.gz NDYSEONJVSNCOV-UHFFFAOYSA-N 2 2 299.419 -0.600 20 0 CBADLP C[C@H]1[NH2+]CCC[C@H]1C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000367376568 291192225 /nfs/dbraw/zinc/19/22/25/291192225.db2.gz BPFBKQHTICUHBU-FRRDWIJNSA-N 2 2 266.389 -0.510 20 0 CBADLP O=C(C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1)N1CCC1 ZINC000329508375 202365791 /nfs/dbraw/zinc/36/57/91/202365791.db2.gz BEIBNRKPZZWBLQ-UHFFFAOYSA-N 2 2 297.399 -0.622 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000094565619 296008794 /nfs/dbraw/zinc/00/87/94/296008794.db2.gz CNDITACXISGTIV-AXFHLTTASA-N 2 2 252.318 -0.106 20 0 CBADLP C[C@@H](CC(N)=O)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000341891127 216141174 /nfs/dbraw/zinc/14/11/74/216141174.db2.gz GZXGGVWAAQMSNG-VHSXEESVSA-N 2 2 256.350 -0.820 20 0 CBADLP C[C@@H](CC(N)=O)[NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000341891127 216141176 /nfs/dbraw/zinc/14/11/76/216141176.db2.gz GZXGGVWAAQMSNG-VHSXEESVSA-N 2 2 256.350 -0.820 20 0 CBADLP C[C@H]1OCC[C@@]12C[N@H+](CC(=O)N1CC[NH+](C)CC1)CCO2 ZINC000375926066 291222929 /nfs/dbraw/zinc/22/29/29/291222929.db2.gz CZCFEHDGJOXLON-UKRRQHHQSA-N 2 2 297.399 -0.360 20 0 CBADLP C[C@H]1OCC[C@@]12C[N@@H+](CC(=O)N1CC[NH+](C)CC1)CCO2 ZINC000375926066 291222930 /nfs/dbraw/zinc/22/29/30/291222930.db2.gz CZCFEHDGJOXLON-UKRRQHHQSA-N 2 2 297.399 -0.360 20 0 CBADLP O=C([C@@H]1CCC[NH2+]1)N1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000378209227 296015651 /nfs/dbraw/zinc/01/56/51/296015651.db2.gz JVXCVWYCOIESSL-STQMWFEESA-N 2 2 294.399 -0.449 20 0 CBADLP C[C@@H]([NH3+])C[N@@H+]1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000420382917 296020253 /nfs/dbraw/zinc/02/02/53/296020253.db2.gz ZDAMPZKOIZQVJI-MNOVXSKESA-N 2 2 263.407 -0.063 20 0 CBADLP C[C@@H]([NH3+])C[N@H+]1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000420382917 296020255 /nfs/dbraw/zinc/02/02/55/296020255.db2.gz ZDAMPZKOIZQVJI-MNOVXSKESA-N 2 2 263.407 -0.063 20 0 CBADLP C[C@@H]([NH3+])CN1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000442653914 296020168 /nfs/dbraw/zinc/02/01/68/296020168.db2.gz AOTYOMVCODHQEZ-MNOVXSKESA-N 2 2 254.378 -0.382 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)NC[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC000342074579 216209811 /nfs/dbraw/zinc/20/98/11/216209811.db2.gz GAXVWWOZHLVMQQ-GFCCVEGCSA-N 2 2 296.415 -0.251 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC000342074579 216209815 /nfs/dbraw/zinc/20/98/15/216209815.db2.gz GAXVWWOZHLVMQQ-GFCCVEGCSA-N 2 2 296.415 -0.251 20 0 CBADLP CC(=O)N1CCN(C(=O)[C@H](C)[NH2+]CC2([NH3+])CCC2)CC1 ZINC000342130241 216230384 /nfs/dbraw/zinc/23/03/84/216230384.db2.gz LWHSQBBAZNUAMJ-NSHDSACASA-N 2 2 282.388 -0.463 20 0 CBADLP C[C@@H]([NH2+]CC1([NH3+])CCC1)C(=O)N(C)CC(=O)NC1CC1 ZINC000342145887 216237499 /nfs/dbraw/zinc/23/74/99/216237499.db2.gz VMWMSIDEOMAVGV-SNVBAGLBSA-N 2 2 282.388 -0.417 20 0 CBADLP C[C@H](C(=O)N1CCO[C@@H](C[NH+](C)C)C1)[NH+]1CCOCC1 ZINC000342376405 216329771 /nfs/dbraw/zinc/32/97/71/216329771.db2.gz IWSWBAPLRXUFFD-OLZOCXBDSA-N 2 2 285.388 -0.504 20 0 CBADLP CN1CCC[C@H]([NH+]2CCN(C(=O)C[NH+](C)C)CC2)C1=O ZINC000538703181 283679965 /nfs/dbraw/zinc/67/99/65/283679965.db2.gz PNWWUQXFUXQBME-LBPRGKRZSA-N 2 2 282.388 -0.687 20 0 CBADLP CC[N@@H+]1CCOC[C@@H]1C(=O)N[C@H](C)CC[NH+]1CCOCC1 ZINC000342474815 216363497 /nfs/dbraw/zinc/36/34/97/216363497.db2.gz MWLNZVHFKAKEOS-ZIAGYGMSSA-N 2 2 299.415 -0.066 20 0 CBADLP CC[N@H+]1CCOC[C@@H]1C(=O)N[C@H](C)CC[NH+]1CCOCC1 ZINC000342474815 216363499 /nfs/dbraw/zinc/36/34/99/216363499.db2.gz MWLNZVHFKAKEOS-ZIAGYGMSSA-N 2 2 299.415 -0.066 20 0 CBADLP C[C@@H](NC(=O)C[N@H+](C)[C@H]1CCC[NH2+]CC1)C(=O)N(C)C ZINC000435621215 296046608 /nfs/dbraw/zinc/04/66/08/296046608.db2.gz JTFYYZUDLSJGRG-NEPJUHHUSA-N 2 2 284.404 -0.347 20 0 CBADLP C[C@@H](NC(=O)C[N@@H+](C)[C@H]1CCC[NH2+]CC1)C(=O)N(C)C ZINC000435621215 296046611 /nfs/dbraw/zinc/04/66/11/296046611.db2.gz JTFYYZUDLSJGRG-NEPJUHHUSA-N 2 2 284.404 -0.347 20 0 CBADLP O=C(NC[C@H]1C[NH+]2CCN1CC2)C1CC[NH+](C2CC2)CC1 ZINC000365985520 284001234 /nfs/dbraw/zinc/00/12/34/284001234.db2.gz KSOGTVJDQIQIBR-HNNXBMFYSA-N 2 2 292.427 -0.023 20 0 CBADLP C[C@@H]([NH2+]C1CC1)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000449112644 296113370 /nfs/dbraw/zinc/11/33/70/296113370.db2.gz DHNHGTYUAMHFRF-LLVKDONJSA-N 2 2 255.362 -0.083 20 0 CBADLP COC[C@H](O)C[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000330583468 203002897 /nfs/dbraw/zinc/00/28/97/203002897.db2.gz KIVUFQFKQZYILF-LLVKDONJSA-N 2 2 254.334 -0.465 20 0 CBADLP COC(=O)[C@](C)(O)C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000330729183 203162181 /nfs/dbraw/zinc/16/21/81/203162181.db2.gz HLFDKASYRUYSIF-GXTWGEPZSA-N 2 2 286.372 -0.436 20 0 CBADLP COC(=O)[C@](C)(O)C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000330729183 203162184 /nfs/dbraw/zinc/16/21/84/203162184.db2.gz HLFDKASYRUYSIF-GXTWGEPZSA-N 2 2 286.372 -0.436 20 0 CBADLP C[C@@H](O)C[NH+]1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000330785432 203233507 /nfs/dbraw/zinc/23/35/07/203233507.db2.gz UATNOVJFAOOSRT-LLVKDONJSA-N 2 2 266.345 -0.133 20 0 CBADLP NS(=O)(=O)[C@H]1CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000330827460 203284019 /nfs/dbraw/zinc/28/40/19/203284019.db2.gz IZPWDKKGMKVNIA-JTQLQIEISA-N 2 2 258.347 -0.364 20 0 CBADLP NS(=O)(=O)[C@H]1CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000330827460 203284022 /nfs/dbraw/zinc/28/40/22/203284022.db2.gz IZPWDKKGMKVNIA-JTQLQIEISA-N 2 2 258.347 -0.364 20 0 CBADLP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H]1CC(C(N)=O)=NO1 ZINC000276438305 193330323 /nfs/dbraw/zinc/33/03/23/193330323.db2.gz IIGFWJMFQJVRIM-JTQLQIEISA-N 2 2 277.328 -0.133 20 0 CBADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCCn1cc[nH+]c1 ZINC000331715093 204101094 /nfs/dbraw/zinc/10/10/94/204101094.db2.gz NIWGMGMWQRESPT-CYBMUJFWSA-N 2 2 294.403 -0.182 20 0 CBADLP C[C@@H]1C[N@H+](CCN2CCN(C(=O)C[NH+](C)C)CC2)CCO1 ZINC000337323048 214007391 /nfs/dbraw/zinc/00/73/91/214007391.db2.gz DWJZFEYBHQAFRZ-CQSZACIVSA-N 2 2 298.431 -0.587 20 0 CBADLP C[C@@H]1C[N@@H+](CCN2CCN(C(=O)C[NH+](C)C)CC2)CCO1 ZINC000337323048 214007394 /nfs/dbraw/zinc/00/73/94/214007394.db2.gz DWJZFEYBHQAFRZ-CQSZACIVSA-N 2 2 298.431 -0.587 20 0 CBADLP C[C@H](C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1)[NH+]1CCOCC1 ZINC000353393667 220062000 /nfs/dbraw/zinc/06/20/00/220062000.db2.gz BFVJDKOXNFUFMX-JHJVBQTASA-N 2 2 267.373 -0.225 20 0 CBADLP C[N@@H+]1CCN(C(=O)C(=O)NCC[NH3+])[C@@H](c2ccccc2)C1 ZINC000037243376 372760695 /nfs/dbraw/zinc/76/06/95/372760695.db2.gz KHQKZAPOFDCXPV-CYBMUJFWSA-N 2 2 290.367 -0.423 20 0 CBADLP C[N@H+]1CCN(C(=O)C(=O)NCC[NH3+])[C@@H](c2ccccc2)C1 ZINC000037243376 372760704 /nfs/dbraw/zinc/76/07/04/372760704.db2.gz KHQKZAPOFDCXPV-CYBMUJFWSA-N 2 2 290.367 -0.423 20 0 CBADLP O=C([C@@H]1CC[NH2+]C1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000062976711 372763801 /nfs/dbraw/zinc/76/38/01/372763801.db2.gz BONGVBYNAQAAPB-NEPJUHHUSA-N 2 2 253.346 -0.471 20 0 CBADLP CC[C@@H](Cn1cncn1)[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000353427865 220078809 /nfs/dbraw/zinc/07/88/09/220078809.db2.gz PNNKYOAKKWCTHV-STQMWFEESA-N 2 2 266.393 -0.108 20 0 CBADLP CC[C@@H](Cn1cncn1)[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000353427865 220078811 /nfs/dbraw/zinc/07/88/11/220078811.db2.gz PNNKYOAKKWCTHV-STQMWFEESA-N 2 2 266.393 -0.108 20 0 CBADLP CCOCC[NH+]1CCN(C(=O)[C@H](C[NH3+])OC)CC1 ZINC000353441869 220086589 /nfs/dbraw/zinc/08/65/89/220086589.db2.gz FNAWLKXTPTZXAG-NSHDSACASA-N 2 2 259.350 -0.859 20 0 CBADLP C[N@@H+]1CCC[C@@H]2C[NH+](CCNS(C)(=O)=O)CC[C@@H]21 ZINC000158692206 372815344 /nfs/dbraw/zinc/81/53/44/372815344.db2.gz KMYUQLVBURFJKK-NEPJUHHUSA-N 2 2 275.418 -0.048 20 0 CBADLP C[N@H+]1CCC[C@@H]2C[NH+](CCNS(C)(=O)=O)CC[C@@H]21 ZINC000158692206 372815348 /nfs/dbraw/zinc/81/53/48/372815348.db2.gz KMYUQLVBURFJKK-NEPJUHHUSA-N 2 2 275.418 -0.048 20 0 CBADLP C[NH+]1CCC[C@@H]2C[N@H+](CCNS(C)(=O)=O)CC[C@@H]21 ZINC000158692206 372815352 /nfs/dbraw/zinc/81/53/52/372815352.db2.gz KMYUQLVBURFJKK-NEPJUHHUSA-N 2 2 275.418 -0.048 20 0 CBADLP C[NH+]1CCC[C@@H]2C[N@@H+](CCNS(C)(=O)=O)CC[C@@H]21 ZINC000158692206 372815355 /nfs/dbraw/zinc/81/53/55/372815355.db2.gz KMYUQLVBURFJKK-NEPJUHHUSA-N 2 2 275.418 -0.048 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178969788 372840127 /nfs/dbraw/zinc/84/01/27/372840127.db2.gz KZSKMDQPTWUQPI-GFCCVEGCSA-N 2 2 254.378 -0.557 20 0 CBADLP CC[N@H+](CC(=O)N1CC[NH+](C[C@H](C)O)CC1)C1CC1 ZINC000189703740 372855756 /nfs/dbraw/zinc/85/57/56/372855756.db2.gz GUWFNABMEPQAFU-LBPRGKRZSA-N 2 2 269.389 -0.004 20 0 CBADLP CC[N@@H+](CC(=O)N1CC[NH+](C[C@H](C)O)CC1)C1CC1 ZINC000189703740 372855761 /nfs/dbraw/zinc/85/57/61/372855761.db2.gz GUWFNABMEPQAFU-LBPRGKRZSA-N 2 2 269.389 -0.004 20 0 CBADLP O=C(c1n[nH]c2c1C[NH2+]CC2)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000188763958 372851331 /nfs/dbraw/zinc/85/13/31/372851331.db2.gz JXLWRTBSTHCFGE-JTQLQIEISA-N 2 2 275.356 -0.024 20 0 CBADLP O=C(c1n[nH]c2c1C[NH2+]CC2)N1CC[N@H+]2CCC[C@H]2C1 ZINC000188763958 372851335 /nfs/dbraw/zinc/85/13/35/372851335.db2.gz JXLWRTBSTHCFGE-JTQLQIEISA-N 2 2 275.356 -0.024 20 0 CBADLP CC[C@H]1CN(C(=O)[C@@H]2COCC[NH2+]2)CC[N@@H+]1CCOC ZINC000168054272 372827046 /nfs/dbraw/zinc/82/70/46/372827046.db2.gz DLBVRLDOCDXZOG-STQMWFEESA-N 2 2 285.388 -0.456 20 0 CBADLP CC[C@H]1CN(C(=O)[C@@H]2COCC[NH2+]2)CC[N@H+]1CCOC ZINC000168054272 372827052 /nfs/dbraw/zinc/82/70/52/372827052.db2.gz DLBVRLDOCDXZOG-STQMWFEESA-N 2 2 285.388 -0.456 20 0 CBADLP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCC[NH+]1CCN(C(C)=O)CC1 ZINC000353447745 220088465 /nfs/dbraw/zinc/08/84/65/220088465.db2.gz LMBSSKLEVJHMEL-ZIAGYGMSSA-N 2 2 296.415 -0.345 20 0 CBADLP CO[C@@H](C[NH3+])C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000353465782 220098461 /nfs/dbraw/zinc/09/84/61/220098461.db2.gz FXLVOIQSIVUOEK-JTQLQIEISA-N 2 2 252.318 -0.191 20 0 CBADLP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261569171 372907292 /nfs/dbraw/zinc/90/72/92/372907292.db2.gz JOHUCBXYROMLHR-CABZTGNLSA-N 2 2 254.334 -0.484 20 0 CBADLP CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261569171 372907297 /nfs/dbraw/zinc/90/72/97/372907297.db2.gz JOHUCBXYROMLHR-CABZTGNLSA-N 2 2 254.334 -0.484 20 0 CBADLP [NH3+][C@H]1CCc2ncc(NC(=O)[C@H]3COCC[NH2+]3)cc2C1 ZINC000348996299 373087364 /nfs/dbraw/zinc/08/73/64/373087364.db2.gz XGCYLTJXMJBEIJ-GXFFZTMASA-N 2 2 276.340 -0.176 20 0 CBADLP C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC000351986489 373100603 /nfs/dbraw/zinc/10/06/03/373100603.db2.gz JHTWBHHPZUGJIS-IJLUTSLNSA-N 2 2 255.362 -0.132 20 0 CBADLP C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC000351986489 373100609 /nfs/dbraw/zinc/10/06/09/373100609.db2.gz JHTWBHHPZUGJIS-IJLUTSLNSA-N 2 2 255.362 -0.132 20 0 CBADLP C[C@@H]1C[NH+](C)[C@H](C)CN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000351986489 373100612 /nfs/dbraw/zinc/10/06/12/373100612.db2.gz JHTWBHHPZUGJIS-IJLUTSLNSA-N 2 2 255.362 -0.132 20 0 CBADLP C[C@@H]1C[NH+](C)[C@H](C)CN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000351986489 373100617 /nfs/dbraw/zinc/10/06/17/373100617.db2.gz JHTWBHHPZUGJIS-IJLUTSLNSA-N 2 2 255.362 -0.132 20 0 CBADLP C[C@H](CNC(=O)C[NH+](C)C)N(C)C(=O)C[NH+](C)C ZINC000355300811 373125174 /nfs/dbraw/zinc/12/51/74/373125174.db2.gz BVIFBFFNNYYNLS-SNVBAGLBSA-N 2 2 258.366 -0.927 20 0 CBADLP CC[N@H+](CC(N)=O)CC(=O)NC1CC[NH+](CC)CC1 ZINC000355609391 373138267 /nfs/dbraw/zinc/13/82/67/373138267.db2.gz QRQHQNVSQQBRNK-UHFFFAOYSA-N 2 2 270.377 -0.606 20 0 CBADLP CC[N@@H+](CC(N)=O)CC(=O)NC1CC[NH+](CC)CC1 ZINC000355609391 373138287 /nfs/dbraw/zinc/13/82/87/373138287.db2.gz QRQHQNVSQQBRNK-UHFFFAOYSA-N 2 2 270.377 -0.606 20 0 CBADLP C[C@H](O)C[N@H+](C)C1CC[NH+]([C@H]2COC[C@@H]2O)CC1 ZINC000361294196 373274717 /nfs/dbraw/zinc/27/47/17/373274717.db2.gz CWOLGEXWZYTDJU-DRZSPHRISA-N 2 2 258.362 -0.477 20 0 CBADLP C[C@H](O)C[N@@H+](C)C1CC[NH+]([C@H]2COC[C@@H]2O)CC1 ZINC000361294196 373274724 /nfs/dbraw/zinc/27/47/24/373274724.db2.gz CWOLGEXWZYTDJU-DRZSPHRISA-N 2 2 258.362 -0.477 20 0 CBADLP CN(C)C(=O)CC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000360896340 373243867 /nfs/dbraw/zinc/24/38/67/373243867.db2.gz FUYHYMKFACEDIH-UHFFFAOYSA-N 2 2 284.404 -0.393 20 0 CBADLP CS(=O)(=O)NCC[N@H+](CCn1cc[nH+]c1)C1CC1 ZINC000361381642 373287694 /nfs/dbraw/zinc/28/76/94/373287694.db2.gz PDFFRHKEEOXFOG-UHFFFAOYSA-N 2 2 272.374 -0.103 20 0 CBADLP CS(=O)(=O)NCC[N@@H+](CCn1cc[nH+]c1)C1CC1 ZINC000361381642 373287699 /nfs/dbraw/zinc/28/76/99/373287699.db2.gz PDFFRHKEEOXFOG-UHFFFAOYSA-N 2 2 272.374 -0.103 20 0 CBADLP O=C(NCC1([NH+]2CCOCC2)CCCC1)[C@H]1C[NH2+]CCO1 ZINC000361718361 373330755 /nfs/dbraw/zinc/33/07/55/373330755.db2.gz NFWNEDWHUAZGMJ-CYBMUJFWSA-N 2 2 297.399 -0.264 20 0 CBADLP CC(C)NC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000361720123 373330471 /nfs/dbraw/zinc/33/04/71/373330471.db2.gz XRFAKCOAQQBMNV-CYBMUJFWSA-N 2 2 296.415 -0.345 20 0 CBADLP CC(C)NC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000361720123 373330478 /nfs/dbraw/zinc/33/04/78/373330478.db2.gz XRFAKCOAQQBMNV-CYBMUJFWSA-N 2 2 296.415 -0.345 20 0 CBADLP CN(C)c1[nH+]cc(C[NH2+][C@]2(CO)CCOC2)n1C ZINC000362286986 373388056 /nfs/dbraw/zinc/38/80/56/373388056.db2.gz SKHATDNWAQQOIU-LBPRGKRZSA-N 2 2 254.334 -0.273 20 0 CBADLP CCC[N@H+](C)CC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000344995963 217380728 /nfs/dbraw/zinc/38/07/28/217380728.db2.gz CGAUUYADKJDNPR-ZDUSSCGKSA-N 2 2 287.404 -0.520 20 0 CBADLP CCC[N@@H+](C)CC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000344995963 217380730 /nfs/dbraw/zinc/38/07/30/217380730.db2.gz CGAUUYADKJDNPR-ZDUSSCGKSA-N 2 2 287.404 -0.520 20 0 CBADLP Cn1cncc1C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362836721 373452007 /nfs/dbraw/zinc/45/20/07/373452007.db2.gz JAOMUNUPAMSLPH-GFCCVEGCSA-N 2 2 277.372 -0.184 20 0 CBADLP Cn1cncc1C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362836721 373452013 /nfs/dbraw/zinc/45/20/13/373452013.db2.gz JAOMUNUPAMSLPH-GFCCVEGCSA-N 2 2 277.372 -0.184 20 0 CBADLP CC[C@@H](C)NC(=O)C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362831752 373453076 /nfs/dbraw/zinc/45/30/76/373453076.db2.gz SRIMMBKQVXEMMV-CHWSQXEVSA-N 2 2 296.415 -0.203 20 0 CBADLP CC[C@@H](C)NC(=O)C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362831752 373453084 /nfs/dbraw/zinc/45/30/84/373453084.db2.gz SRIMMBKQVXEMMV-CHWSQXEVSA-N 2 2 296.415 -0.203 20 0 CBADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](CCn2cccn2)C1 ZINC000362824707 373454061 /nfs/dbraw/zinc/45/40/61/373454061.db2.gz BHVMRCCUPFHAST-CYBMUJFWSA-N 2 2 277.372 -0.221 20 0 CBADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](CCn2cccn2)C1 ZINC000362824707 373454068 /nfs/dbraw/zinc/45/40/68/373454068.db2.gz BHVMRCCUPFHAST-CYBMUJFWSA-N 2 2 277.372 -0.221 20 0 CBADLP Cn1cc(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)nn1 ZINC000362696511 373437001 /nfs/dbraw/zinc/43/70/01/373437001.db2.gz CWZDXTRWTGJTAX-GFCCVEGCSA-N 2 2 278.360 -0.789 20 0 CBADLP Cn1cc(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)nn1 ZINC000362696511 373437004 /nfs/dbraw/zinc/43/70/04/373437004.db2.gz CWZDXTRWTGJTAX-GFCCVEGCSA-N 2 2 278.360 -0.789 20 0 CBADLP C[C@@H]1C(=O)NCCC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000367213762 373536469 /nfs/dbraw/zinc/53/64/69/373536469.db2.gz PPHNQCOWRJEAJV-GFCCVEGCSA-N 2 2 282.388 -0.639 20 0 CBADLP C[C@@H]1C(=O)NCCC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000367213762 373536478 /nfs/dbraw/zinc/53/64/78/373536478.db2.gz PPHNQCOWRJEAJV-GFCCVEGCSA-N 2 2 282.388 -0.639 20 0 CBADLP COCC[N@H+](C)CCNC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000367828651 373539151 /nfs/dbraw/zinc/53/91/51/373539151.db2.gz VKOZQIUTGWSSHD-UHFFFAOYSA-N 2 2 299.415 -0.064 20 0 CBADLP COCC[N@@H+](C)CCNC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000367828651 373539160 /nfs/dbraw/zinc/53/91/60/373539160.db2.gz VKOZQIUTGWSSHD-UHFFFAOYSA-N 2 2 299.415 -0.064 20 0 CBADLP CNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000376824248 373571213 /nfs/dbraw/zinc/57/12/13/373571213.db2.gz UYSNLOUFXMKKSE-LBPRGKRZSA-N 2 2 270.377 -0.750 20 0 CBADLP CNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000376824248 373571220 /nfs/dbraw/zinc/57/12/20/373571220.db2.gz UYSNLOUFXMKKSE-LBPRGKRZSA-N 2 2 270.377 -0.750 20 0 CBADLP C[C@H]([NH3+])C[N@@H+]1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000420382919 373651904 /nfs/dbraw/zinc/65/19/04/373651904.db2.gz ZDAMPZKOIZQVJI-WDEREUQCSA-N 2 2 263.407 -0.063 20 0 CBADLP C[C@H]([NH3+])C[N@H+]1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000420382919 373651910 /nfs/dbraw/zinc/65/19/10/373651910.db2.gz ZDAMPZKOIZQVJI-WDEREUQCSA-N 2 2 263.407 -0.063 20 0 CBADLP CNC(=O)C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000428301483 373670407 /nfs/dbraw/zinc/67/04/07/373670407.db2.gz JWFDSWUPZMBYAV-UHFFFAOYSA-N 2 2 256.394 -0.310 20 0 CBADLP CNC(=O)C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000428301483 373670423 /nfs/dbraw/zinc/67/04/23/373670423.db2.gz JWFDSWUPZMBYAV-UHFFFAOYSA-N 2 2 256.394 -0.310 20 0 CBADLP CNC(=O)CN(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000428301483 373670433 /nfs/dbraw/zinc/67/04/33/373670433.db2.gz JWFDSWUPZMBYAV-UHFFFAOYSA-N 2 2 256.394 -0.310 20 0 CBADLP CNC(=O)CN(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000428301483 373670441 /nfs/dbraw/zinc/67/04/41/373670441.db2.gz JWFDSWUPZMBYAV-UHFFFAOYSA-N 2 2 256.394 -0.310 20 0 CBADLP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)CN1CC[NH2+]CC1=O ZINC000431040420 373674751 /nfs/dbraw/zinc/67/47/51/373674751.db2.gz MANUAFBFZXGLGN-STQMWFEESA-N 2 2 296.415 -0.345 20 0 CBADLP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)CN1CC[NH2+]CC1=O ZINC000431040420 373674756 /nfs/dbraw/zinc/67/47/56/373674756.db2.gz MANUAFBFZXGLGN-STQMWFEESA-N 2 2 296.415 -0.345 20 0 CBADLP [NH3+]C1(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000353651268 220226571 /nfs/dbraw/zinc/22/65/71/220226571.db2.gz XFNPOFRAWJORIK-UHFFFAOYSA-N 2 2 279.344 -0.355 20 0 CBADLP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493563735 373719667 /nfs/dbraw/zinc/71/96/67/373719667.db2.gz VZTUFEGIINSAHO-RXNFCKPNSA-N 2 2 291.355 -0.121 20 0 CBADLP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493563735 373719672 /nfs/dbraw/zinc/71/96/72/373719672.db2.gz VZTUFEGIINSAHO-RXNFCKPNSA-N 2 2 291.355 -0.121 20 0 CBADLP COC(=O)c1coc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c1 ZINC000514872879 373770885 /nfs/dbraw/zinc/77/08/85/373770885.db2.gz IQGBSRRBYIZBAX-JQWIXIFHSA-N 2 2 293.323 -0.190 20 0 CBADLP COC(=O)c1coc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c1 ZINC000514872879 373770889 /nfs/dbraw/zinc/77/08/89/373770889.db2.gz IQGBSRRBYIZBAX-JQWIXIFHSA-N 2 2 293.323 -0.190 20 0 CBADLP COC(=O)[C@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CC[N@H+](C)C1 ZINC000493809053 373730372 /nfs/dbraw/zinc/73/03/72/373730372.db2.gz GMMKACQSDKVMMM-PGLGOXFNSA-N 2 2 292.339 -0.014 20 0 CBADLP COC(=O)[C@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CC[N@@H+](C)C1 ZINC000493809053 373730381 /nfs/dbraw/zinc/73/03/81/373730381.db2.gz GMMKACQSDKVMMM-PGLGOXFNSA-N 2 2 292.339 -0.014 20 0 CBADLP CO[C@@H]1COC[C@H]1[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000515060050 373774937 /nfs/dbraw/zinc/77/49/37/373774937.db2.gz UBBVQLVAJPGWPD-GHMZBOCLSA-N 2 2 254.334 -0.011 20 0 CBADLP COC(=O)N1CCC[C@H](C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])C1 ZINC000496062172 373748087 /nfs/dbraw/zinc/74/80/87/373748087.db2.gz AJSBLPRMTXFWNU-NWDGAFQWSA-N 2 2 298.387 -0.434 20 0 CBADLP COC(=O)N1CCC[C@H](C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])C1 ZINC000496062172 373748098 /nfs/dbraw/zinc/74/80/98/373748098.db2.gz AJSBLPRMTXFWNU-NWDGAFQWSA-N 2 2 298.387 -0.434 20 0 CBADLP C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)NCC[NH3+] ZINC000514937602 373769857 /nfs/dbraw/zinc/76/98/57/373769857.db2.gz BWLQOOAJJLHCNE-UHFFFAOYSA-N 2 2 299.396 -0.290 20 0 CBADLP COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000516969274 373819844 /nfs/dbraw/zinc/81/98/44/373819844.db2.gz UKXSOMDRARZIDU-VXGBXAGGSA-N 2 2 283.372 -0.403 20 0 CBADLP COC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000516969274 373819850 /nfs/dbraw/zinc/81/98/50/373819850.db2.gz UKXSOMDRARZIDU-VXGBXAGGSA-N 2 2 283.372 -0.403 20 0 CBADLP C[C@H](C[NH2+]CCC(=O)NC(N)=O)C[NH+]1CCOCC1 ZINC000520798065 373832061 /nfs/dbraw/zinc/83/20/61/373832061.db2.gz NPLZYLNUMBEUPS-SNVBAGLBSA-N 2 2 272.349 -0.871 20 0 CBADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCCO[C@H](C[NH3+])C2)CC1 ZINC000520819471 373834453 /nfs/dbraw/zinc/83/44/53/373834453.db2.gz BGABBVBXGDVPGO-CQSZACIVSA-N 3 2 298.431 -0.364 20 0 CBADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCCO[C@H](C[NH3+])C2)CC1 ZINC000520819471 373834465 /nfs/dbraw/zinc/83/44/65/373834465.db2.gz BGABBVBXGDVPGO-CQSZACIVSA-N 3 2 298.431 -0.364 20 0 CBADLP COCCC[N@@H+](C)CCNC(=O)Cn1cc[nH+]c1 ZINC000515403144 373787519 /nfs/dbraw/zinc/78/75/19/373787519.db2.gz LDFGBKJCQSQPIR-UHFFFAOYSA-N 2 2 254.334 -0.032 20 0 CBADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)Cc2c[nH+]cn2C)[C@@H](C)C1 ZINC000527003523 373900341 /nfs/dbraw/zinc/90/03/41/373900341.db2.gz DFSGLDKDHMYGEG-NWDGAFQWSA-N 2 2 280.372 -0.124 20 0 CBADLP C[C@@H](O)C[N@H+]1CCN(C(=O)Cc2c[nH+]cn2C)[C@@H](C)C1 ZINC000527003523 373900347 /nfs/dbraw/zinc/90/03/47/373900347.db2.gz DFSGLDKDHMYGEG-NWDGAFQWSA-N 2 2 280.372 -0.124 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000521458643 373844974 /nfs/dbraw/zinc/84/49/74/373844974.db2.gz IUJFNNOQPBCWJW-UHFFFAOYSA-N 2 2 260.301 -0.045 20 0 CBADLP CC[NH+]1CCC(CNC(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000521868737 373852078 /nfs/dbraw/zinc/85/20/78/373852078.db2.gz NCUWKWMANIQNFF-UHFFFAOYSA-N 2 2 282.388 -0.734 20 0 CBADLP C[N@@H+]1CCN(C(=O)NC[C@]2(C)CCC[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000521986467 373853512 /nfs/dbraw/zinc/85/35/12/373853512.db2.gz HFWGIHKHBYPKQO-GXTWGEPZSA-N 3 2 283.420 -0.340 20 0 CBADLP C[N@H+]1CCN(C(=O)NC[C@]2(C)CCC[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000521986467 373853519 /nfs/dbraw/zinc/85/35/19/373853519.db2.gz HFWGIHKHBYPKQO-GXTWGEPZSA-N 3 2 283.420 -0.340 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC([C@@H](O)C(=O)OC)CC1 ZINC000521893965 373853802 /nfs/dbraw/zinc/85/38/02/373853802.db2.gz DQQCUBUPNXBVOL-CHWSQXEVSA-N 2 2 288.388 -0.455 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC([C@@H](O)C(=O)OC)CC1 ZINC000521893965 373853808 /nfs/dbraw/zinc/85/38/08/373853808.db2.gz DQQCUBUPNXBVOL-CHWSQXEVSA-N 2 2 288.388 -0.455 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH+]1CCN(C)CC1 ZINC000522265190 373867123 /nfs/dbraw/zinc/86/71/23/373867123.db2.gz LHEKIAZQPLVZJH-CHWSQXEVSA-N 2 2 268.405 -0.310 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH+]1CCN(C)CC1 ZINC000522265190 373867133 /nfs/dbraw/zinc/86/71/33/373867133.db2.gz LHEKIAZQPLVZJH-CHWSQXEVSA-N 2 2 268.405 -0.310 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH+]1CCN(C)CC1 ZINC000522265192 373868116 /nfs/dbraw/zinc/86/81/16/373868116.db2.gz LHEKIAZQPLVZJH-QWHCGFSZSA-N 2 2 268.405 -0.310 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH+]1CCN(C)CC1 ZINC000522265192 373868121 /nfs/dbraw/zinc/86/81/21/373868121.db2.gz LHEKIAZQPLVZJH-QWHCGFSZSA-N 2 2 268.405 -0.310 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000528458284 373951331 /nfs/dbraw/zinc/95/13/31/373951331.db2.gz HUQSSPCZOHIZBL-GFCCVEGCSA-N 2 2 279.388 -0.056 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000528458284 373951334 /nfs/dbraw/zinc/95/13/34/373951334.db2.gz HUQSSPCZOHIZBL-GFCCVEGCSA-N 2 2 279.388 -0.056 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2C[C@@H](CO)[C@H](CO)C2)CC1 ZINC000528610457 373962974 /nfs/dbraw/zinc/96/29/74/373962974.db2.gz ZDMOLJBWDUSVHV-RDBSUJKOSA-N 2 2 299.415 -0.928 20 0 CBADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CC[NH2+]C23CCC3)[C@@H](C[NH3+])C1 ZINC000529347341 374008497 /nfs/dbraw/zinc/00/84/97/374008497.db2.gz CKYROCGWOICMMI-NWDGAFQWSA-N 3 2 281.404 -0.445 20 0 CBADLP C[N@H+]1CCN(C(=O)N[C@@H]2CC[NH2+]C23CCC3)[C@@H](C[NH3+])C1 ZINC000529347341 374008501 /nfs/dbraw/zinc/00/85/01/374008501.db2.gz CKYROCGWOICMMI-NWDGAFQWSA-N 3 2 281.404 -0.445 20 0 CBADLP C[N@@H+]1CCN(C(=O)NCCc2cncnc2)[C@@H](C[NH3+])C1 ZINC000529373987 374014679 /nfs/dbraw/zinc/01/46/79/374014679.db2.gz VEWCRBQYDOCMRD-LBPRGKRZSA-N 2 2 278.360 -0.697 20 0 CBADLP C[N@H+]1CCN(C(=O)NCCc2cncnc2)[C@@H](C[NH3+])C1 ZINC000529373987 374014683 /nfs/dbraw/zinc/01/46/83/374014683.db2.gz VEWCRBQYDOCMRD-LBPRGKRZSA-N 2 2 278.360 -0.697 20 0 CBADLP CCOC[C@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)CCO1 ZINC000528725267 373976723 /nfs/dbraw/zinc/97/67/23/373976723.db2.gz OXPKADFOWOLQSG-CQSZACIVSA-N 2 2 299.415 -0.112 20 0 CBADLP CCOC[C@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)CCO1 ZINC000528725267 373976731 /nfs/dbraw/zinc/97/67/31/373976731.db2.gz OXPKADFOWOLQSG-CQSZACIVSA-N 2 2 299.415 -0.112 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000528874955 373985968 /nfs/dbraw/zinc/98/59/68/373985968.db2.gz HGTRCDKVBVUWJB-LBPRGKRZSA-N 2 2 263.345 -0.692 20 0 CBADLP C[C@H](C(=O)N(C)C)[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000530220605 374065711 /nfs/dbraw/zinc/06/57/11/374065711.db2.gz BFDPAKWODPMPRQ-GFCCVEGCSA-N 2 2 297.403 -0.894 20 0 CBADLP Cn1c[nH+]cc1CN1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000530225497 374066322 /nfs/dbraw/zinc/06/63/22/374066322.db2.gz ZMHWDYYLXSJDJX-UHFFFAOYSA-N 2 2 292.387 -0.437 20 0 CBADLP C[NH+](C)CC(=O)N1CC[NH+](CC2(O)CCCC2)CC1 ZINC000533000910 374180363 /nfs/dbraw/zinc/18/03/63/374180363.db2.gz CZQAAZDJNUSETQ-UHFFFAOYSA-N 2 2 269.389 -0.003 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCNC(=O)c1cnccn1 ZINC000532220422 374161968 /nfs/dbraw/zinc/16/19/68/374161968.db2.gz YWWUBMURMJHQMF-ZYHUDNBSSA-N 2 2 263.345 -0.254 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCNC(=O)c1cnccn1 ZINC000532220422 374161973 /nfs/dbraw/zinc/16/19/73/374161973.db2.gz YWWUBMURMJHQMF-ZYHUDNBSSA-N 2 2 263.345 -0.254 20 0 CBADLP C[C@H](CC[N@H+](C)[C@@H]1COC[C@H]1O)[NH+](C)[C@@H]1COC[C@H]1O ZINC000552006523 374256554 /nfs/dbraw/zinc/25/65/54/374256554.db2.gz JMDDOGKAGYNWMB-DHGKCCLASA-N 2 2 288.388 -0.852 20 0 CBADLP C[C@H](CC[N@@H+](C)[C@@H]1COC[C@H]1O)[NH+](C)[C@@H]1COC[C@H]1O ZINC000552006523 374256562 /nfs/dbraw/zinc/25/65/62/374256562.db2.gz JMDDOGKAGYNWMB-DHGKCCLASA-N 2 2 288.388 -0.852 20 0 CBADLP C[C@H](CC[NH+](C)[C@@H]1COC[C@H]1O)[N@H+](C)[C@@H]1COC[C@H]1O ZINC000552006523 374256568 /nfs/dbraw/zinc/25/65/68/374256568.db2.gz JMDDOGKAGYNWMB-DHGKCCLASA-N 2 2 288.388 -0.852 20 0 CBADLP C[C@H](CC[NH+](C)[C@@H]1COC[C@H]1O)[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000552006523 374256575 /nfs/dbraw/zinc/25/65/75/374256575.db2.gz JMDDOGKAGYNWMB-DHGKCCLASA-N 2 2 288.388 -0.852 20 0 CBADLP C[C@@H]1CCNC(=O)[C@@H]1[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000554946417 374285207 /nfs/dbraw/zinc/28/52/07/374285207.db2.gz JDWJDBGZQYKUKM-YUSALJHKSA-N 2 2 255.362 -0.444 20 0 CBADLP C[C@@H]1CCNC(=O)[C@@H]1[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000554946417 374285212 /nfs/dbraw/zinc/28/52/12/374285212.db2.gz JDWJDBGZQYKUKM-YUSALJHKSA-N 2 2 255.362 -0.444 20 0 CBADLP CCN(CC)C(=O)C[NH+]1CCC(NC(=O)C[NH+](C)C)CC1 ZINC000577919239 374344361 /nfs/dbraw/zinc/34/43/61/374344361.db2.gz VJOSATQVFXIXSK-UHFFFAOYSA-N 2 2 298.431 -0.003 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000562477299 374318653 /nfs/dbraw/zinc/31/86/53/374318653.db2.gz GPGXITKSZUORNM-ZIAGYGMSSA-N 2 2 299.415 -0.332 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000562477299 374318658 /nfs/dbraw/zinc/31/86/58/374318658.db2.gz GPGXITKSZUORNM-ZIAGYGMSSA-N 2 2 299.415 -0.332 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000562477299 374318661 /nfs/dbraw/zinc/31/86/61/374318661.db2.gz GPGXITKSZUORNM-ZIAGYGMSSA-N 2 2 299.415 -0.332 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000562477299 374318662 /nfs/dbraw/zinc/31/86/62/374318662.db2.gz GPGXITKSZUORNM-ZIAGYGMSSA-N 2 2 299.415 -0.332 20 0 CBADLP C[C@@H]1C[NH+](CCCC[N@@H+]2CC(=O)N[C@H](C)C2)CC(=O)N1 ZINC000562553778 374321430 /nfs/dbraw/zinc/32/14/30/374321430.db2.gz LQYNADGPKPDEQT-VXGBXAGGSA-N 2 2 282.388 -0.593 20 0 CBADLP C[C@@H]1C[NH+](CCCC[N@H+]2CC(=O)N[C@H](C)C2)CC(=O)N1 ZINC000562553778 374321436 /nfs/dbraw/zinc/32/14/36/374321436.db2.gz LQYNADGPKPDEQT-VXGBXAGGSA-N 2 2 282.388 -0.593 20 0 CBADLP C[C@@H]1C[NH+](CCCC[N@@H+]2CC(=O)N[C@@H](C)C2)CC(=O)N1 ZINC000562553777 374321503 /nfs/dbraw/zinc/32/15/03/374321503.db2.gz LQYNADGPKPDEQT-TXEJJXNPSA-N 2 2 282.388 -0.593 20 0 CBADLP C[C@@H]1C[NH+](CCCC[N@H+]2CC(=O)N[C@@H](C)C2)CC(=O)N1 ZINC000562553777 374321514 /nfs/dbraw/zinc/32/15/14/374321514.db2.gz LQYNADGPKPDEQT-TXEJJXNPSA-N 2 2 282.388 -0.593 20 0 CBADLP C[C@@H]1C[N@@H+](CCCC[NH+]2CC(=O)N[C@@H](C)C2)CC(=O)N1 ZINC000562553777 374321521 /nfs/dbraw/zinc/32/15/21/374321521.db2.gz LQYNADGPKPDEQT-TXEJJXNPSA-N 2 2 282.388 -0.593 20 0 CBADLP C[C@@H]1C[N@H+](CCCC[NH+]2CC(=O)N[C@@H](C)C2)CC(=O)N1 ZINC000562553777 374321530 /nfs/dbraw/zinc/32/15/30/374321530.db2.gz LQYNADGPKPDEQT-TXEJJXNPSA-N 2 2 282.388 -0.593 20 0 CBADLP Cc1nn(C)c(C)c1CC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000563708970 374324549 /nfs/dbraw/zinc/32/45/49/374324549.db2.gz WYCQLHHLNFNNIT-LBPRGKRZSA-N 2 2 279.388 -0.319 20 0 CBADLP Cc1nn(C)c(C)c1CC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000563708970 374324557 /nfs/dbraw/zinc/32/45/57/374324557.db2.gz WYCQLHHLNFNNIT-LBPRGKRZSA-N 2 2 279.388 -0.319 20 0 CBADLP C[C@@H](CNC(=O)c1cn(CCC[NH3+])nn1)Cn1cc[nH+]c1 ZINC000565032838 374327281 /nfs/dbraw/zinc/32/72/81/374327281.db2.gz YNXNYZBPVGYVMA-NSHDSACASA-N 2 2 291.359 -0.111 20 0 CBADLP C[C@H](CNC(=O)c1cn(CCC[NH3+])nn1)Cn1cc[nH+]c1 ZINC000565032837 374327599 /nfs/dbraw/zinc/32/75/99/374327599.db2.gz YNXNYZBPVGYVMA-LLVKDONJSA-N 2 2 291.359 -0.111 20 0 CBADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CC[NH+](CCO)CC1 ZINC000583755032 374365575 /nfs/dbraw/zinc/36/55/75/374365575.db2.gz AJWRNOSXCBJNHP-GFCCVEGCSA-N 2 2 278.356 -0.418 20 0 CBADLP CC[C@H](O)C[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000583812403 374370070 /nfs/dbraw/zinc/37/00/70/374370070.db2.gz GAAODOTYAHIPPL-QNWHQSFQSA-N 2 2 260.378 -0.183 20 0 CBADLP CC[C@H](O)C[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000583812403 374370073 /nfs/dbraw/zinc/37/00/73/374370073.db2.gz GAAODOTYAHIPPL-QNWHQSFQSA-N 2 2 260.378 -0.183 20 0 CBADLP CC[C@H](O)C[NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000583812401 374370144 /nfs/dbraw/zinc/37/01/44/374370144.db2.gz GAAODOTYAHIPPL-CYDGBPFRSA-N 2 2 260.378 -0.183 20 0 CBADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)CCC[NH2+]C)CC1 ZINC000584411448 374371085 /nfs/dbraw/zinc/37/10/85/374371085.db2.gz ZMDFDTKXFFFWFO-UHFFFAOYSA-N 2 2 284.404 -0.344 20 0 CBADLP CCNC(=O)C[N@H+]1CCCN(C(=O)CCC[NH2+]C)CC1 ZINC000584411448 374371093 /nfs/dbraw/zinc/37/10/93/374371093.db2.gz ZMDFDTKXFFFWFO-UHFFFAOYSA-N 2 2 284.404 -0.344 20 0 CBADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[NH+](CCO)CC1 ZINC000584478247 374375452 /nfs/dbraw/zinc/37/54/52/374375452.db2.gz MFBLTKXBUWDKFJ-LLVKDONJSA-N 2 2 266.345 -0.275 20 0 CBADLP COC[C@]1(C(N)=O)CCC[N@@H+]1CCn1cc[nH+]c1 ZINC000643823382 374447967 /nfs/dbraw/zinc/44/79/67/374447967.db2.gz QTJWYLRXPZXDTJ-LBPRGKRZSA-N 2 2 252.318 -0.151 20 0 CBADLP COC[C@]1(C(N)=O)CCC[N@H+]1CCn1cc[nH+]c1 ZINC000643823382 374447969 /nfs/dbraw/zinc/44/79/69/374447969.db2.gz QTJWYLRXPZXDTJ-LBPRGKRZSA-N 2 2 252.318 -0.151 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@]23C[C@H]2CC[NH2+]3)CC1 ZINC000574521354 335026454 /nfs/dbraw/zinc/02/64/54/335026454.db2.gz CCPWIQNSIVWNQA-YPMHNXCESA-N 2 2 253.346 -0.471 20 0 CBADLP CC(=O)N1CC[C@H]([NH2+]C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000644595188 374599548 /nfs/dbraw/zinc/59/95/48/374599548.db2.gz BTAUWMSJTBKBEM-MYZSUADSSA-N 2 2 299.415 -0.333 20 0 CBADLP CC(=O)N1CC[C@H]([NH2+]C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000644595188 374599556 /nfs/dbraw/zinc/59/95/56/374599556.db2.gz BTAUWMSJTBKBEM-MYZSUADSSA-N 2 2 299.415 -0.333 20 0 CBADLP C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)[C@@H]1CN(C)CCO1 ZINC000644602939 374600340 /nfs/dbraw/zinc/60/03/40/374600340.db2.gz VORCDGDEMMNRDJ-YUTCNCBUSA-N 2 2 271.405 -0.250 20 0 CBADLP C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)[C@@H]1CN(C)CCO1 ZINC000644602939 374600346 /nfs/dbraw/zinc/60/03/46/374600346.db2.gz VORCDGDEMMNRDJ-YUTCNCBUSA-N 2 2 271.405 -0.250 20 0 CBADLP C[C@H](NC[C@@H](O)C[N@H+](C)C1CC1)[C@@H]1C[NH+](C)CCO1 ZINC000644602939 374600353 /nfs/dbraw/zinc/60/03/53/374600353.db2.gz VORCDGDEMMNRDJ-YUTCNCBUSA-N 2 2 271.405 -0.250 20 0 CBADLP C[C@H](NC[C@@H](O)C[N@@H+](C)C1CC1)[C@@H]1C[NH+](C)CCO1 ZINC000644602939 374600358 /nfs/dbraw/zinc/60/03/58/374600358.db2.gz VORCDGDEMMNRDJ-YUTCNCBUSA-N 2 2 271.405 -0.250 20 0 CBADLP C[C@H](NC[C@@H](O)C[NH+](C)C1CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000644602939 374600367 /nfs/dbraw/zinc/60/03/67/374600367.db2.gz VORCDGDEMMNRDJ-YUTCNCBUSA-N 2 2 271.405 -0.250 20 0 CBADLP C[C@H](NC[C@@H](O)C[NH+](C)C1CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000644602939 374600371 /nfs/dbraw/zinc/60/03/71/374600371.db2.gz VORCDGDEMMNRDJ-YUTCNCBUSA-N 2 2 271.405 -0.250 20 0 CBADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CCCn2ccnn2)C[C@H](C)O1 ZINC000644620234 374602431 /nfs/dbraw/zinc/60/24/31/374602431.db2.gz AOSOBWOAJNYFPN-MJBXVCDLSA-N 2 2 297.403 -0.272 20 0 CBADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CCCn2ccnn2)C[C@H](C)O1 ZINC000644620234 374602435 /nfs/dbraw/zinc/60/24/35/374602435.db2.gz AOSOBWOAJNYFPN-MJBXVCDLSA-N 2 2 297.403 -0.272 20 0 CBADLP CN(C)c1[nH+]cc(C[NH2+]CCc2nnnn2C)n1C ZINC000644902356 374632060 /nfs/dbraw/zinc/63/20/60/374632060.db2.gz WNLABXNCKGOWAQ-UHFFFAOYSA-N 2 2 264.337 -0.658 20 0 CBADLP CC[NH+](CC)[C@@H](C)CNC(=O)CN1CC[NH2+]CC1=O ZINC000645472420 374673768 /nfs/dbraw/zinc/67/37/68/374673768.db2.gz GQXCLZOQHCUQAK-NSHDSACASA-N 2 2 270.377 -0.735 20 0 CBADLP C[C@H]([NH2+]C1CC1)C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000646125192 374744988 /nfs/dbraw/zinc/74/49/88/374744988.db2.gz GYSXSYALSIQIKY-JTQLQIEISA-N 2 2 282.388 -0.465 20 0 CBADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000645947223 374717040 /nfs/dbraw/zinc/71/70/40/374717040.db2.gz FAPZTPBCABNLAV-JHJVBQTASA-N 2 2 268.405 -0.264 20 0 CBADLP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])c2cscn2)C1 ZINC000645951631 374717956 /nfs/dbraw/zinc/71/79/56/374717956.db2.gz MGFWORVZOSBGPQ-ONGXEEELSA-N 2 2 284.385 -0.020 20 0 CBADLP COCC[N@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])c2cscn2)C1 ZINC000645951631 374717961 /nfs/dbraw/zinc/71/79/61/374717961.db2.gz MGFWORVZOSBGPQ-ONGXEEELSA-N 2 2 284.385 -0.020 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CC[NH3+])C2)CC1 ZINC000645978016 374721497 /nfs/dbraw/zinc/72/14/97/374721497.db2.gz QTBWPHKZIQLKKB-NSHDSACASA-N 3 2 254.378 -0.380 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CC[NH3+])C2)CC1 ZINC000645978016 374721501 /nfs/dbraw/zinc/72/15/01/374721501.db2.gz QTBWPHKZIQLKKB-NSHDSACASA-N 3 2 254.378 -0.380 20 0 CBADLP CC(=O)NCC[NH+](C)CCC[N@@H+](C)CCNC(C)=O ZINC000646047215 374735505 /nfs/dbraw/zinc/73/55/05/374735505.db2.gz WHPIGVIFKFFDQK-UHFFFAOYSA-N 2 2 272.393 -0.488 20 0 CBADLP CC(=O)NCC[NH+](C)CCC[N@H+](C)CCNC(C)=O ZINC000646047215 374735510 /nfs/dbraw/zinc/73/55/10/374735510.db2.gz WHPIGVIFKFFDQK-UHFFFAOYSA-N 2 2 272.393 -0.488 20 0 CBADLP [NH3+]CCOCC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000646103116 374740133 /nfs/dbraw/zinc/74/01/33/374740133.db2.gz BYILVAKVMAORED-LBPRGKRZSA-N 2 2 271.361 -0.715 20 0 CBADLP C[C@H](NC(=O)c1ccco1)C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000646835444 374823887 /nfs/dbraw/zinc/82/38/87/374823887.db2.gz DCYQAWLLOZLYOR-QWRGUYRKSA-N 2 2 294.355 -0.501 20 0 CBADLP C[C@H](NC(=O)c1ccco1)C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000646835444 374823892 /nfs/dbraw/zinc/82/38/92/374823892.db2.gz DCYQAWLLOZLYOR-QWRGUYRKSA-N 2 2 294.355 -0.501 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N2CC(C[NH+]3CCOCC3)C2)C1 ZINC000646355073 374772253 /nfs/dbraw/zinc/77/22/53/374772253.db2.gz BCZWVPWLRLZKQU-ZDUSSCGKSA-N 2 2 283.372 -0.892 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N2CC(C[NH+]3CCOCC3)C2)C1 ZINC000646355073 374772262 /nfs/dbraw/zinc/77/22/62/374772262.db2.gz BCZWVPWLRLZKQU-ZDUSSCGKSA-N 2 2 283.372 -0.892 20 0 CBADLP C[NH+]1CCN(C(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)CC1 ZINC000646391719 374775864 /nfs/dbraw/zinc/77/58/64/374775864.db2.gz MCKLAKHRRMJTAY-LLVKDONJSA-N 2 2 278.360 -0.582 20 0 CBADLP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000646473830 374780760 /nfs/dbraw/zinc/78/07/60/374780760.db2.gz VCMYNEKFPYEAMP-UTUOFQBUSA-N 2 2 255.362 -0.132 20 0 CBADLP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000646473830 374780764 /nfs/dbraw/zinc/78/07/64/374780764.db2.gz VCMYNEKFPYEAMP-UTUOFQBUSA-N 2 2 255.362 -0.132 20 0 CBADLP C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000646473825 374781670 /nfs/dbraw/zinc/78/16/70/374781670.db2.gz VCMYNEKFPYEAMP-GRYCIOLGSA-N 2 2 255.362 -0.132 20 0 CBADLP C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000646473825 374781671 /nfs/dbraw/zinc/78/16/71/374781671.db2.gz VCMYNEKFPYEAMP-GRYCIOLGSA-N 2 2 255.362 -0.132 20 0 CBADLP C[NH+](C)C[C@](C)(O)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000646937292 374843947 /nfs/dbraw/zinc/84/39/47/374843947.db2.gz JIGAUNPIJFIESP-BXUZGUMPSA-N 2 2 280.372 -0.126 20 0 CBADLP C[NH+](C)C[C@@](C)(O)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000646937293 374844055 /nfs/dbraw/zinc/84/40/55/374844055.db2.gz JIGAUNPIJFIESP-FZMZJTMJSA-N 2 2 280.372 -0.126 20 0 CBADLP C[C@@H](CNC[C@H](O)C[NH+]1CCN(C)CC1)[N@H+](C)C1CC1 ZINC000574632498 335035180 /nfs/dbraw/zinc/03/51/80/335035180.db2.gz XGYWUQXQSVTTRT-ZFWWWQNUSA-N 2 2 284.448 -0.333 20 0 CBADLP C[C@@H](CNC[C@H](O)C[NH+]1CCN(C)CC1)[N@@H+](C)C1CC1 ZINC000574632498 335035181 /nfs/dbraw/zinc/03/51/81/335035181.db2.gz XGYWUQXQSVTTRT-ZFWWWQNUSA-N 2 2 284.448 -0.333 20 0 CBADLP Cc1[nH+]ccn1CCNC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000262090954 190048137 /nfs/dbraw/zinc/04/81/37/190048137.db2.gz CZBWNTVFSJQBMR-KOLCDFICSA-N 2 2 252.318 -0.315 20 0 CBADLP Cc1cccn2cc(CNC(=O)[C@H]3C[C@H](O)C[NH2+]3)[nH+]c12 ZINC000262333676 190053327 /nfs/dbraw/zinc/05/33/27/190053327.db2.gz FIEFWFIDIJJYMG-NWDGAFQWSA-N 2 2 274.324 -0.018 20 0 CBADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCNC(=O)c1ccn[nH]1 ZINC000355765634 248190093 /nfs/dbraw/zinc/19/00/93/248190093.db2.gz KBJTZHBSNULKEL-ONGXEEELSA-N 2 2 251.334 -0.321 20 0 CBADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCNC(=O)c1ccn[nH]1 ZINC000355765634 248190096 /nfs/dbraw/zinc/19/00/96/248190096.db2.gz KBJTZHBSNULKEL-ONGXEEELSA-N 2 2 251.334 -0.321 20 0 CBADLP C[C@@H]1[C@H](C)N(C[C@@H](O)C[NH+]2CCOCC2)CC[N@H+]1C ZINC000356978261 248306891 /nfs/dbraw/zinc/30/68/91/248306891.db2.gz CTDUKJFGNACYDI-RDBSUJKOSA-N 2 2 271.405 -0.296 20 0 CBADLP C[C@@H]1[C@H](C)N(C[C@@H](O)C[NH+]2CCOCC2)CC[N@@H+]1C ZINC000356978261 248306895 /nfs/dbraw/zinc/30/68/95/248306895.db2.gz CTDUKJFGNACYDI-RDBSUJKOSA-N 2 2 271.405 -0.296 20 0 CBADLP C[C@H](C[NH3+])C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000357229319 248336578 /nfs/dbraw/zinc/33/65/78/248336578.db2.gz VQPBIVYGSQPAPJ-SNVBAGLBSA-N 2 2 251.334 -0.351 20 0 CBADLP C[NH2+][C@@H](C(=O)N1CC[N@H+](C)C[C@@H]1C)c1cnn(C)c1 ZINC000357240011 248336710 /nfs/dbraw/zinc/33/67/10/248336710.db2.gz KXWBPTBGDJDNBD-CMPLNLGQSA-N 2 2 265.361 -0.157 20 0 CBADLP C[NH2+][C@@H](C(=O)N1CC[N@@H+](C)C[C@@H]1C)c1cnn(C)c1 ZINC000357240011 248336715 /nfs/dbraw/zinc/33/67/15/248336715.db2.gz KXWBPTBGDJDNBD-CMPLNLGQSA-N 2 2 265.361 -0.157 20 0 CBADLP Cc1ccc2[nH+]c(CNC(=O)CNC(=O)C[NH3+])cn2c1 ZINC000357128894 248325643 /nfs/dbraw/zinc/32/56/43/248325643.db2.gz HXUMRXPDGWNAAU-UHFFFAOYSA-N 2 2 275.312 -0.666 20 0 CBADLP C[NH2+]CCC(=O)N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC000357234513 248338433 /nfs/dbraw/zinc/33/84/33/248338433.db2.gz ATBXWGRIJJNFBB-CYBMUJFWSA-N 2 2 296.415 -0.249 20 0 CBADLP C[NH2+]CCC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000357249577 248341216 /nfs/dbraw/zinc/34/12/16/248341216.db2.gz SJZAZNMQMBNADB-UHFFFAOYSA-N 2 2 296.415 -0.344 20 0 CBADLP C[C@@H]1C[N@H+](C)[C@H](C)CN1CC(=O)N1CC[NH+](C)CC1 ZINC000357617332 248380390 /nfs/dbraw/zinc/38/03/90/248380390.db2.gz OGQJIKYTCOWUPR-CHWSQXEVSA-N 2 2 268.405 -0.215 20 0 CBADLP C[C@@H]1C[N@@H+](C)[C@H](C)CN1CC(=O)N1CC[NH+](C)CC1 ZINC000357617332 248380396 /nfs/dbraw/zinc/38/03/96/248380396.db2.gz OGQJIKYTCOWUPR-CHWSQXEVSA-N 2 2 268.405 -0.215 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](N3CCCC3=O)C2)CC1 ZINC000357609145 248382590 /nfs/dbraw/zinc/38/25/90/248382590.db2.gz CQYMTDFYESNYGI-ZDUSSCGKSA-N 2 2 294.399 -0.543 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](N3CCCC3=O)C2)CC1 ZINC000357609145 248382593 /nfs/dbraw/zinc/38/25/93/248382593.db2.gz CQYMTDFYESNYGI-ZDUSSCGKSA-N 2 2 294.399 -0.543 20 0 CBADLP C[N@H+](CC(=O)N1CCOCC1)C1CC[NH+](CCO)CC1 ZINC000357647992 248386296 /nfs/dbraw/zinc/38/62/96/248386296.db2.gz NTQVREPAVWZIRC-UHFFFAOYSA-N 2 2 285.388 -0.766 20 0 CBADLP C[N@@H+](CC(=O)N1CCOCC1)C1CC[NH+](CCO)CC1 ZINC000357647992 248386302 /nfs/dbraw/zinc/38/63/02/248386302.db2.gz NTQVREPAVWZIRC-UHFFFAOYSA-N 2 2 285.388 -0.766 20 0 CBADLP C[N@H+](CC(=O)NC[C@@H]1CCCO1)C1CC[NH+](CCO)CC1 ZINC000357721477 248398700 /nfs/dbraw/zinc/39/87/00/248398700.db2.gz LLDWEYBSZAWLOH-AWEZNQCLSA-N 2 2 299.415 -0.330 20 0 CBADLP C[N@@H+](CC(=O)NC[C@@H]1CCCO1)C1CC[NH+](CCO)CC1 ZINC000357721477 248398703 /nfs/dbraw/zinc/39/87/03/248398703.db2.gz LLDWEYBSZAWLOH-AWEZNQCLSA-N 2 2 299.415 -0.330 20 0 CBADLP CC[C@H](CO)[NH+]1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000375421460 248855941 /nfs/dbraw/zinc/85/59/41/248855941.db2.gz HSRABRYRJPQCIY-MNOVXSKESA-N 2 2 291.342 -0.101 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000653125534 412885491 /nfs/dbraw/zinc/88/54/91/412885491.db2.gz CXGXVHHKHRQYHL-NWDGAFQWSA-N 3 2 254.378 -0.382 20 0 CBADLP C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(CC(C)(C)[NH3+])CC1 ZINC000346847539 218033988 /nfs/dbraw/zinc/03/39/88/218033988.db2.gz CVSHUCYOYDVFRV-CYBMUJFWSA-N 2 2 298.431 -0.411 20 0 CBADLP C[C@H](CO)[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000347120509 218130025 /nfs/dbraw/zinc/13/00/25/218130025.db2.gz BAJUMAXTEIISLH-CHWSQXEVSA-N 2 2 285.388 -0.768 20 0 CBADLP C[C@H](CO)[N@H+]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000347120509 218130026 /nfs/dbraw/zinc/13/00/26/218130026.db2.gz BAJUMAXTEIISLH-CHWSQXEVSA-N 2 2 285.388 -0.768 20 0 CBADLP C[C@H](CO)[NH+]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000347120509 218130028 /nfs/dbraw/zinc/13/00/28/218130028.db2.gz BAJUMAXTEIISLH-CHWSQXEVSA-N 2 2 285.388 -0.768 20 0 CBADLP C[C@H](CO)[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000347120509 218130029 /nfs/dbraw/zinc/13/00/29/218130029.db2.gz BAJUMAXTEIISLH-CHWSQXEVSA-N 2 2 285.388 -0.768 20 0 CBADLP Cc1cn[nH]c1C[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000289456091 197355187 /nfs/dbraw/zinc/35/51/87/197355187.db2.gz HNDFRXBPSHAJRN-UHFFFAOYSA-N 2 2 265.361 -0.028 20 0 CBADLP Cc1c[nH]nc1C[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000289456091 197355188 /nfs/dbraw/zinc/35/51/88/197355188.db2.gz HNDFRXBPSHAJRN-UHFFFAOYSA-N 2 2 265.361 -0.028 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)Cn1cc[nH+]c1 ZINC000267082049 190302483 /nfs/dbraw/zinc/30/24/83/190302483.db2.gz JEMOUHBCWLVPTD-NWDGAFQWSA-N 2 2 266.345 -0.034 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)Cn1cc[nH+]c1 ZINC000267082049 190302484 /nfs/dbraw/zinc/30/24/84/190302484.db2.gz JEMOUHBCWLVPTD-NWDGAFQWSA-N 2 2 266.345 -0.034 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000347705669 218329185 /nfs/dbraw/zinc/32/91/85/218329185.db2.gz ULUTYJHNFAYUSG-KGLIPLIRSA-N 2 2 298.431 -0.683 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000347705669 218329187 /nfs/dbraw/zinc/32/91/87/218329187.db2.gz ULUTYJHNFAYUSG-KGLIPLIRSA-N 2 2 298.431 -0.683 20 0 CBADLP O=C(NCC[NH+]1CCOCC1)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000279100470 194284408 /nfs/dbraw/zinc/28/44/08/194284408.db2.gz XEOUFWJRYHEBLG-LLVKDONJSA-N 2 2 293.371 -0.451 20 0 CBADLP C[C@H]([C@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1)[NH+]1CCOCC1 ZINC000081355106 207361498 /nfs/dbraw/zinc/36/14/98/207361498.db2.gz BJJLVOXDLLEHNQ-XQQFMLRXSA-N 2 2 285.388 -0.458 20 0 CBADLP C[C@H]([C@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH+]1CCOCC1 ZINC000081355106 207361503 /nfs/dbraw/zinc/36/15/03/207361503.db2.gz BJJLVOXDLLEHNQ-XQQFMLRXSA-N 2 2 285.388 -0.458 20 0 CBADLP C[C@H]1C[C@@H]([NH+](C)CCNS(C)(=O)=O)CC[N@@H+]1C ZINC000123129252 207367195 /nfs/dbraw/zinc/36/71/95/207367195.db2.gz RZNKEAVDNQIKEV-QWRGUYRKSA-N 2 2 263.407 -0.050 20 0 CBADLP C[C@H]1C[C@@H]([NH+](C)CCNS(C)(=O)=O)CC[N@H+]1C ZINC000123129252 207367203 /nfs/dbraw/zinc/36/72/03/207367203.db2.gz RZNKEAVDNQIKEV-QWRGUYRKSA-N 2 2 263.407 -0.050 20 0 CBADLP C[C@H]1C[C@@H]([N@H+](C)CCNS(C)(=O)=O)CC[NH+]1C ZINC000123129252 207367208 /nfs/dbraw/zinc/36/72/08/207367208.db2.gz RZNKEAVDNQIKEV-QWRGUYRKSA-N 2 2 263.407 -0.050 20 0 CBADLP C[C@H]1C[C@@H]([N@@H+](C)CCNS(C)(=O)=O)CC[NH+]1C ZINC000123129252 207367215 /nfs/dbraw/zinc/36/72/15/207367215.db2.gz RZNKEAVDNQIKEV-QWRGUYRKSA-N 2 2 263.407 -0.050 20 0 CBADLP CC[N@@H+]1CCC[C@@H](NC(=O)CN2CC[NH2+]CC2=O)C1 ZINC000165944351 207397200 /nfs/dbraw/zinc/39/72/00/207397200.db2.gz GASYLAOADOQNPF-LLVKDONJSA-N 2 2 268.361 -0.981 20 0 CBADLP CC[N@H+]1CCC[C@@H](NC(=O)CN2CC[NH2+]CC2=O)C1 ZINC000165944351 207397207 /nfs/dbraw/zinc/39/72/07/207397207.db2.gz GASYLAOADOQNPF-LLVKDONJSA-N 2 2 268.361 -0.981 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@H]([NH3+])CCSC)CC1 ZINC000164006507 207397860 /nfs/dbraw/zinc/39/78/60/207397860.db2.gz JUDHFIMPXVLHOW-LLVKDONJSA-N 2 2 275.418 -0.143 20 0 CBADLP O=C(C[NH2+]C[C@@H]1CCCO1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000165522078 207397798 /nfs/dbraw/zinc/39/77/98/207397798.db2.gz LBCIVCQACQDVCJ-KBPBESRZSA-N 2 2 297.399 -0.312 20 0 CBADLP C[C@H](CNC(=O)[C@]1(C)CC[NH2+]C1)[NH+]1CCOCC1 ZINC000164912408 207398404 /nfs/dbraw/zinc/39/84/04/207398404.db2.gz ODZMUYRSHNKNJE-DGCLKSJQSA-N 2 2 255.362 -0.177 20 0 CBADLP C[C@H](CNC(=O)C[C@H]1C[NH2+]CCO1)[NH+]1CCOCC1 ZINC000164913895 207398673 /nfs/dbraw/zinc/39/86/73/207398673.db2.gz HYOOBKRIOFJLCS-NEPJUHHUSA-N 2 2 271.361 -0.798 20 0 CBADLP CCNC(=O)NC(=O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261554963 207475596 /nfs/dbraw/zinc/47/55/96/207475596.db2.gz BDSKZBXEGRBTSL-VHSXEESVSA-N 2 2 254.334 -0.484 20 0 CBADLP CCNC(=O)NC(=O)C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261554963 207475599 /nfs/dbraw/zinc/47/55/99/207475599.db2.gz BDSKZBXEGRBTSL-VHSXEESVSA-N 2 2 254.334 -0.484 20 0 CBADLP CC[C@H]([NH3+])CNC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000417040775 207553788 /nfs/dbraw/zinc/55/37/88/207553788.db2.gz VVGIBIUFKLRCQA-MNOVXSKESA-N 2 2 258.366 -0.256 20 0 CBADLP COC(=O)CCNC(=O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000420380683 207816688 /nfs/dbraw/zinc/81/66/88/207816688.db2.gz YPDAODNSVMWCCL-GBIKHYSHSA-N 2 2 271.361 -0.358 20 0 CBADLP O=S1(=O)CCC[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000069144322 285058427 /nfs/dbraw/zinc/05/84/27/285058427.db2.gz QUEOEYZFUYHFFU-VXGBXAGGSA-N 2 2 276.402 -0.390 20 0 CBADLP CN(C)c1[nH+]cc(C[N@@H+]2C[C@H](O)C[C@H]2CO)n1C ZINC000425343194 208018434 /nfs/dbraw/zinc/01/84/34/208018434.db2.gz RHGABVXSTAVVPE-GXSJLCMTSA-N 2 2 254.334 -0.586 20 0 CBADLP CN(C)c1[nH+]cc(C[N@H+]2C[C@H](O)C[C@H]2CO)n1C ZINC000425343194 208018441 /nfs/dbraw/zinc/01/84/41/208018441.db2.gz RHGABVXSTAVVPE-GXSJLCMTSA-N 2 2 254.334 -0.586 20 0 CBADLP C[C@H](C(=O)NCC1=CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000427608389 208065719 /nfs/dbraw/zinc/06/57/19/208065719.db2.gz YISQJYNKGPQKSG-LLVKDONJSA-N 2 2 253.346 -0.257 20 0 CBADLP CCCN(C(=O)CN1CC[NH2+]CC1=O)[C@H]1CC[NH2+]C1 ZINC000429109275 208109245 /nfs/dbraw/zinc/10/92/45/208109245.db2.gz ZKYYAOOVLXHQRR-NSHDSACASA-N 2 2 268.361 -0.981 20 0 CBADLP C[C@H](C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1)[NH+]1CCOCC1 ZINC000429367239 208118503 /nfs/dbraw/zinc/11/85/03/208118503.db2.gz VGWHNBGBODVLMX-GRYCIOLGSA-N 2 2 255.362 -0.084 20 0 CBADLP C[C@H](NC(=O)COC1C[NH2+]C1)[C@H](C)[NH+]1CCOCC1 ZINC000430718562 208175423 /nfs/dbraw/zinc/17/54/23/208175423.db2.gz CQYLUZFGGAXUNO-QWRGUYRKSA-N 2 2 271.361 -0.800 20 0 CBADLP CC(=O)N1CCN(C(=O)C[NH2+][C@@](C)(C[NH3+])C2CC2)CC1 ZINC000430564935 208164531 /nfs/dbraw/zinc/16/45/31/208164531.db2.gz DKRBKFFHJYVLIL-AWEZNQCLSA-N 2 2 282.388 -0.606 20 0 CBADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)C1 ZINC000430573700 208165968 /nfs/dbraw/zinc/16/59/68/208165968.db2.gz MOYGWDOPTHIEPY-GRYCIOLGSA-N 2 2 284.404 -0.362 20 0 CBADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)C1 ZINC000430573700 208165976 /nfs/dbraw/zinc/16/59/76/208165976.db2.gz MOYGWDOPTHIEPY-GRYCIOLGSA-N 2 2 284.404 -0.362 20 0 CBADLP C[N@H+](CC(=O)NCC1CCC1)CC(=O)N1CC[NH2+]CC1 ZINC000430636228 208168154 /nfs/dbraw/zinc/16/81/54/208168154.db2.gz IZCMGDPEHYHJKG-UHFFFAOYSA-N 2 2 282.388 -0.734 20 0 CBADLP C[N@@H+](CC(=O)NCC1CCC1)CC(=O)N1CC[NH2+]CC1 ZINC000430636228 208168162 /nfs/dbraw/zinc/16/81/62/208168162.db2.gz IZCMGDPEHYHJKG-UHFFFAOYSA-N 2 2 282.388 -0.734 20 0 CBADLP CCCCN(CC)C(=O)C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430625748 208168902 /nfs/dbraw/zinc/16/89/02/208168902.db2.gz KJFFPAFVBQJZBJ-UHFFFAOYSA-N 2 2 298.431 -0.001 20 0 CBADLP CCCCN(CC)C(=O)C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430625748 208168908 /nfs/dbraw/zinc/16/89/08/208168908.db2.gz KJFFPAFVBQJZBJ-UHFFFAOYSA-N 2 2 298.431 -0.001 20 0 CBADLP [NH3+][C@@H]1CC[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000430632148 208169844 /nfs/dbraw/zinc/16/98/44/208169844.db2.gz XILSLEIDTDYRTO-SSDOTTSWSA-N 2 2 282.266 -0.202 20 0 CBADLP [NH3+][C@@H]1CC[N@@H+](CCC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000430632148 208169848 /nfs/dbraw/zinc/16/98/48/208169848.db2.gz XILSLEIDTDYRTO-SSDOTTSWSA-N 2 2 282.266 -0.202 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000430676845 208171260 /nfs/dbraw/zinc/17/12/60/208171260.db2.gz FDZCVMFLVNOCKR-VXGBXAGGSA-N 2 2 280.372 -0.839 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000430676845 208171266 /nfs/dbraw/zinc/17/12/66/208171266.db2.gz FDZCVMFLVNOCKR-VXGBXAGGSA-N 2 2 280.372 -0.839 20 0 CBADLP O=C(COC1C[NH2+]C1)NCCc1cn2ccccc2[nH+]1 ZINC000430690561 208171803 /nfs/dbraw/zinc/17/18/03/208171803.db2.gz DLBWZPPQRAWVDT-UHFFFAOYSA-N 2 2 274.324 -0.019 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000430676843 208172646 /nfs/dbraw/zinc/17/26/46/208172646.db2.gz FDZCVMFLVNOCKR-NWDGAFQWSA-N 2 2 280.372 -0.839 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000430676843 208172651 /nfs/dbraw/zinc/17/26/51/208172651.db2.gz FDZCVMFLVNOCKR-NWDGAFQWSA-N 2 2 280.372 -0.839 20 0 CBADLP [NH3+]CC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000430695723 208173446 /nfs/dbraw/zinc/17/34/46/208173446.db2.gz HSCBLCAFDGEKGW-UHFFFAOYSA-N 2 2 268.361 -0.994 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)CC2CC[NH2+]CC2)CC1 ZINC000430735553 208179331 /nfs/dbraw/zinc/17/93/31/208179331.db2.gz ABMVXRRJDWKRBY-UHFFFAOYSA-N 2 2 296.415 -0.344 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)C(C)(C)C[NH3+])CC1 ZINC000430736734 208179357 /nfs/dbraw/zinc/17/93/57/208179357.db2.gz FUQBZUPOBNZNNP-UHFFFAOYSA-N 2 2 270.377 -0.748 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000430767346 208180391 /nfs/dbraw/zinc/18/03/91/208180391.db2.gz WHTSWMOFXVPXNF-OLZOCXBDSA-N 2 2 282.388 -0.606 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000430767345 208181496 /nfs/dbraw/zinc/18/14/96/208181496.db2.gz WHTSWMOFXVPXNF-CHWSQXEVSA-N 2 2 282.388 -0.606 20 0 CBADLP C[C@H](NC(=O)CN1CC[NH2+]CC1=O)C(C)(C)C[NH+](C)C ZINC000430777851 208181843 /nfs/dbraw/zinc/18/18/43/208181843.db2.gz YRANDTKMCOFEOS-NSHDSACASA-N 2 2 284.404 -0.489 20 0 CBADLP C[NH2+]CCCC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000430794539 208181921 /nfs/dbraw/zinc/18/19/21/208181921.db2.gz QUBSJKKSWWQMPN-UHFFFAOYSA-N 2 2 270.377 -0.606 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000430767348 208182658 /nfs/dbraw/zinc/18/26/58/208182658.db2.gz WHTSWMOFXVPXNF-STQMWFEESA-N 2 2 282.388 -0.606 20 0 CBADLP CC[N@H+](C)C[C@H]1CCN(C(=O)CN2CC[NH2+]CC2=O)C1 ZINC000430798122 208183046 /nfs/dbraw/zinc/18/30/46/208183046.db2.gz RQYKCSUTJKZLNT-GFCCVEGCSA-N 2 2 282.388 -0.782 20 0 CBADLP CC[N@@H+](C)C[C@H]1CCN(C(=O)CN2CC[NH2+]CC2=O)C1 ZINC000430798122 208183054 /nfs/dbraw/zinc/18/30/54/208183054.db2.gz RQYKCSUTJKZLNT-GFCCVEGCSA-N 2 2 282.388 -0.782 20 0 CBADLP CC[N@@H+]1CC[C@@H](N(C)C(=O)CN2CC[NH2+]CC2=O)C[C@@H]1C ZINC000430804157 208183349 /nfs/dbraw/zinc/18/33/49/208183349.db2.gz XUJMMJQAMALOPI-QWHCGFSZSA-N 2 2 296.415 -0.251 20 0 CBADLP CC[N@H+]1CC[C@@H](N(C)C(=O)CN2CC[NH2+]CC2=O)C[C@@H]1C ZINC000430804157 208183354 /nfs/dbraw/zinc/18/33/54/208183354.db2.gz XUJMMJQAMALOPI-QWHCGFSZSA-N 2 2 296.415 -0.251 20 0 CBADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000430802707 208184179 /nfs/dbraw/zinc/18/41/79/208184179.db2.gz ACKFVVFCAIIWDO-SNVBAGLBSA-N 2 2 268.361 -0.996 20 0 CBADLP COCC[NH2+]CC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000430894270 208187412 /nfs/dbraw/zinc/18/74/12/208187412.db2.gz MBMDGEGYYPKYSC-NSHDSACASA-N 2 2 259.350 -0.941 20 0 CBADLP COCC[NH2+]CC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000430894270 208187416 /nfs/dbraw/zinc/18/74/16/208187416.db2.gz MBMDGEGYYPKYSC-NSHDSACASA-N 2 2 259.350 -0.941 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@]1(C)CC[NH2+]C1 ZINC000430880220 208187721 /nfs/dbraw/zinc/18/77/21/208187721.db2.gz SHHYQPACUPHUKF-WCQYABFASA-N 2 2 255.362 -0.177 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@]1(C)CC[NH2+]C1 ZINC000430880220 208187727 /nfs/dbraw/zinc/18/77/27/208187727.db2.gz SHHYQPACUPHUKF-WCQYABFASA-N 2 2 255.362 -0.177 20 0 CBADLP C[NH2+]C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N2CCC[C@H](C(N)=O)C2)C1 ZINC000430917403 208190573 /nfs/dbraw/zinc/19/05/73/208190573.db2.gz DABBVEHOZALTCO-AVGNSLFASA-N 2 2 296.415 -0.360 20 0 CBADLP C[NH2+]C[C@@H]1CC[N@H+]([C@@H](C)C(=O)N2CCC[C@H](C(N)=O)C2)C1 ZINC000430917403 208190579 /nfs/dbraw/zinc/19/05/79/208190579.db2.gz DABBVEHOZALTCO-AVGNSLFASA-N 2 2 296.415 -0.360 20 0 CBADLP CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)C1 ZINC000430918195 208191243 /nfs/dbraw/zinc/19/12/43/208191243.db2.gz GRPUGVGWZBRRFP-IACUBPJLSA-N 2 2 296.415 -0.217 20 0 CBADLP CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)C1 ZINC000430918195 208191247 /nfs/dbraw/zinc/19/12/47/208191247.db2.gz GRPUGVGWZBRRFP-IACUBPJLSA-N 2 2 296.415 -0.217 20 0 CBADLP Cn1cc(C[NH+]2CCN(C(=O)CCC[NH3+])CC2)cn1 ZINC000431005761 208194629 /nfs/dbraw/zinc/19/46/29/208194629.db2.gz WPPUIRKVBARPIZ-UHFFFAOYSA-N 2 2 265.361 -0.197 20 0 CBADLP C[NH2+]C[C@H](C)C(=O)NC[C@H](C)[NH+]1CCN(C)CC1 ZINC000431006579 208196450 /nfs/dbraw/zinc/19/64/50/208196450.db2.gz YZBXKKCMSFYADX-RYUDHWBXSA-N 2 2 256.394 -0.406 20 0 CBADLP [NH3+]C[C@@H]1CC[N@H+](CC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000430964954 208196691 /nfs/dbraw/zinc/19/66/91/208196691.db2.gz GVBQQWKZWYOZEJ-ZETCQYMHSA-N 2 2 282.266 -0.345 20 0 CBADLP [NH3+]C[C@@H]1CC[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000430964954 208196700 /nfs/dbraw/zinc/19/67/00/208196700.db2.gz GVBQQWKZWYOZEJ-ZETCQYMHSA-N 2 2 282.266 -0.345 20 0 CBADLP O=C(COC1C[NH2+]C1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000431005763 208196745 /nfs/dbraw/zinc/19/67/45/208196745.db2.gz WPYRRLOZTVGSDG-UHFFFAOYSA-N 2 2 279.344 -0.958 20 0 CBADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)CN1CC[NH2+]CC1=O ZINC000431021222 208198120 /nfs/dbraw/zinc/19/81/20/208198120.db2.gz IGZMDKCELPTXIH-JQWIXIFHSA-N 2 2 280.372 -0.983 20 0 CBADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)CN1CC[NH2+]CC1=O ZINC000431021222 208198126 /nfs/dbraw/zinc/19/81/26/208198126.db2.gz IGZMDKCELPTXIH-JQWIXIFHSA-N 2 2 280.372 -0.983 20 0 CBADLP CCN1CC[NH+](CCCNC(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC000431017368 208198525 /nfs/dbraw/zinc/19/85/25/208198525.db2.gz PYEBJQCFKRCEAJ-ZDUSSCGKSA-N 2 2 284.404 -0.881 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000431064988 208201013 /nfs/dbraw/zinc/20/10/13/208201013.db2.gz LJMWAMWRYLASOQ-UHFFFAOYSA-N 2 2 291.355 -0.522 20 0 CBADLP O=C(COC1C[NH2+]C1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000431027665 208201556 /nfs/dbraw/zinc/20/15/56/208201556.db2.gz XOFZIBBSMOJTCN-UHFFFAOYSA-N 2 2 290.367 -0.286 20 0 CBADLP O=C(NCCn1cc[nH+]c1)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000433412101 208246095 /nfs/dbraw/zinc/24/60/95/208246095.db2.gz IAQPIRXYPUUFNF-NSHDSACASA-N 2 2 289.343 -0.171 20 0 CBADLP CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000433493761 208247415 /nfs/dbraw/zinc/24/74/15/208247415.db2.gz MJVHTCZALZSLKQ-PELKAZGASA-N 2 2 256.350 -0.062 20 0 CBADLP C[NH+]1CCN(C(=O)NCC2([NH+]3CCOCC3)CC2)CC1 ZINC000434457074 208259944 /nfs/dbraw/zinc/25/99/44/208259944.db2.gz RUNKXAFOFSUEKZ-UHFFFAOYSA-N 2 2 282.388 -0.192 20 0 CBADLP C[NH2+]CCCN1CC[NH+](CC(=O)N2CCOCC2)CC1 ZINC000435876474 208284410 /nfs/dbraw/zinc/28/44/10/208284410.db2.gz YMQHVSQBPYQJQC-UHFFFAOYSA-N 2 2 284.404 -0.928 20 0 CBADLP C[NH2+]CCC[NH+]1CCN(c2ccc3nncn3n2)CC1 ZINC000435869558 208284791 /nfs/dbraw/zinc/28/47/91/208284791.db2.gz CGJLJAMBGZJPPX-UHFFFAOYSA-N 2 2 275.360 -0.144 20 0 CBADLP CC[NH+](CCC[N@@H+](CC)[C@@H]1CCNC1=O)[C@H]1CCNC1=O ZINC000440959792 208347510 /nfs/dbraw/zinc/34/75/10/208347510.db2.gz LHZCIEWSIQTOBI-BETUJISGSA-N 2 2 296.415 -0.203 20 0 CBADLP CC[NH+](CCC[N@H+](CC)[C@@H]1CCNC1=O)[C@H]1CCNC1=O ZINC000440959792 208347514 /nfs/dbraw/zinc/34/75/14/208347514.db2.gz LHZCIEWSIQTOBI-BETUJISGSA-N 2 2 296.415 -0.203 20 0 CBADLP CC[NH+](CCC[N@H+](CC)[C@H]1CCNC1=O)[C@@H]1CCNC1=O ZINC000440959792 208347515 /nfs/dbraw/zinc/34/75/15/208347515.db2.gz LHZCIEWSIQTOBI-BETUJISGSA-N 2 2 296.415 -0.203 20 0 CBADLP CC[NH+](CCC[N@@H+](CC)[C@H]1CCNC1=O)[C@@H]1CCNC1=O ZINC000440959792 208347518 /nfs/dbraw/zinc/34/75/18/208347518.db2.gz LHZCIEWSIQTOBI-BETUJISGSA-N 2 2 296.415 -0.203 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)CCCO)CC1 ZINC000440959359 208348248 /nfs/dbraw/zinc/34/82/48/208348248.db2.gz LJEDDSWEBCDCSE-GFCCVEGCSA-N 2 2 257.378 -0.147 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)CCCO)CC1 ZINC000440959359 208348250 /nfs/dbraw/zinc/34/82/50/208348250.db2.gz LJEDDSWEBCDCSE-GFCCVEGCSA-N 2 2 257.378 -0.147 20 0 CBADLP CC[C@@H](C(N)=O)[NH+]1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000350629264 219040112 /nfs/dbraw/zinc/04/01/12/219040112.db2.gz MLBABNJGLGMKIJ-LBPRGKRZSA-N 2 2 284.404 -0.264 20 0 CBADLP COC[C@@H](C)[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362830716 285205353 /nfs/dbraw/zinc/20/53/53/285205353.db2.gz MHKUTZNYJKCMCZ-NEPJUHHUSA-N 2 2 255.362 -0.083 20 0 CBADLP COC[C@@H](C)[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362830716 285205358 /nfs/dbraw/zinc/20/53/58/285205358.db2.gz MHKUTZNYJKCMCZ-NEPJUHHUSA-N 2 2 255.362 -0.083 20 0 CBADLP C[NH+](C)CCN1CCN(C(=O)C[NH+]2CC(C)(C)C2)CC1=O ZINC000655164853 413028748 /nfs/dbraw/zinc/02/87/48/413028748.db2.gz UVIRDIUYNNVAIS-UHFFFAOYSA-N 2 2 296.415 -0.439 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2C[C@@H]3COC[C@H](C2)O3)CC1 ZINC000338370809 285305327 /nfs/dbraw/zinc/30/53/27/285305327.db2.gz COEZVZWOVBZOLX-MELADBBJSA-N 2 2 297.399 -0.361 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2C[C@@H]3COC[C@H](C2)O3)CC1 ZINC000338370809 285305329 /nfs/dbraw/zinc/30/53/29/285305329.db2.gz COEZVZWOVBZOLX-MELADBBJSA-N 2 2 297.399 -0.361 20 0 CBADLP COC(=O)C[C@H]([NH3+])C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000575043256 335058330 /nfs/dbraw/zinc/05/83/30/335058330.db2.gz QRMURRMNZRNCAD-VWYCJHECSA-N 2 2 287.360 -0.898 20 0 CBADLP C[C@@H](CC[NH+]1CCOCC1)NC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000493998650 533586724 /nfs/dbraw/zinc/58/67/24/533586724.db2.gz MWUYVCWYFIJAOM-XQQFMLRXSA-N 2 2 285.388 -0.410 20 0 CBADLP CCOCCNC(=O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428037493 286094700 /nfs/dbraw/zinc/09/47/00/286094700.db2.gz UEYZCNFREFOMIE-NEPJUHHUSA-N 2 2 255.362 -0.177 20 0 CBADLP CCOCCNC(=O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428037493 286094702 /nfs/dbraw/zinc/09/47/02/286094702.db2.gz UEYZCNFREFOMIE-NEPJUHHUSA-N 2 2 255.362 -0.177 20 0 CBADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000332543548 296647107 /nfs/dbraw/zinc/64/71/07/296647107.db2.gz AAARVJMXEFSXDA-MCIONIFRSA-N 2 2 299.415 -0.332 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C[C@H]1COCC[NH2+]1 ZINC000128941255 286848270 /nfs/dbraw/zinc/84/82/70/286848270.db2.gz WPDBOXYDRPTKOD-RYUDHWBXSA-N 2 2 271.361 -0.798 20 0 CBADLP C[N@@H+]1CC[C@H]2OCCN(C(=O)Cn3cc[nH+]c3)[C@H]2C1 ZINC000284908384 196155294 /nfs/dbraw/zinc/15/52/94/196155294.db2.gz HPLITGDWYMMGHJ-NWDGAFQWSA-N 2 2 264.329 -0.185 20 0 CBADLP C[N@H+]1CC[C@H]2OCCN(C(=O)Cn3cc[nH+]c3)[C@H]2C1 ZINC000284908384 196155296 /nfs/dbraw/zinc/15/52/96/196155296.db2.gz HPLITGDWYMMGHJ-NWDGAFQWSA-N 2 2 264.329 -0.185 20 0 CBADLP [NH3+]Cc1ccc(C(=O)N2CC[NH+](CCO)CC2)cc1 ZINC000035609641 172294991 /nfs/dbraw/zinc/29/49/91/172294991.db2.gz YIKTVIKJZKNIFN-UHFFFAOYSA-N 2 2 263.341 -0.105 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C1CC[NH2+]CC1 ZINC000037008647 172866976 /nfs/dbraw/zinc/86/69/76/172866976.db2.gz DRHCRMWXMSUHDM-NSHDSACASA-N 2 2 255.362 -0.177 20 0 CBADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)CC2([NH3+])CC2)CC1 ZINC000662746384 413992012 /nfs/dbraw/zinc/99/20/12/413992012.db2.gz KUNKUJQMRFYWTK-UHFFFAOYSA-N 2 2 268.361 -0.724 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@H]2CCO[C@@H]2C[NH3+])C[C@@H]1[NH+]1CCOCC1 ZINC000662753606 413992157 /nfs/dbraw/zinc/99/21/57/413992157.db2.gz URNYEODUPRSUNV-YIYPIFLZSA-N 2 2 297.399 -0.471 20 0 CBADLP CN(C(=O)CC[NH3+])[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662901342 414060253 /nfs/dbraw/zinc/06/02/53/414060253.db2.gz VOUNVZDXUSPTTH-CYBMUJFWSA-N 3 2 268.405 -0.038 20 0 CBADLP CN(C(=O)CC[NH3+])[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662901342 414060263 /nfs/dbraw/zinc/06/02/63/414060263.db2.gz VOUNVZDXUSPTTH-CYBMUJFWSA-N 3 2 268.405 -0.038 20 0 CBADLP C[N@H+](CC(=O)NC1CCCCC1)CC(=O)N1CC[NH2+]CC1 ZINC000038031312 174025394 /nfs/dbraw/zinc/02/53/94/174025394.db2.gz PNGMWPWLCVFKLD-UHFFFAOYSA-N 2 2 296.415 -0.201 20 0 CBADLP C[N@@H+](CC(=O)NC1CCCCC1)CC(=O)N1CC[NH2+]CC1 ZINC000038031312 174025397 /nfs/dbraw/zinc/02/53/97/174025397.db2.gz PNGMWPWLCVFKLD-UHFFFAOYSA-N 2 2 296.415 -0.201 20 0 CBADLP COC(=O)c1ccc(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)o1 ZINC000038031466 174025609 /nfs/dbraw/zinc/02/56/09/174025609.db2.gz QJCAAWQXVDPHDT-UHFFFAOYSA-N 2 2 295.339 -0.070 20 0 CBADLP COC(=O)c1ccc(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)o1 ZINC000038031466 174025611 /nfs/dbraw/zinc/02/56/11/174025611.db2.gz QJCAAWQXVDPHDT-UHFFFAOYSA-N 2 2 295.339 -0.070 20 0 CBADLP CC[C@H](C)NC(=O)C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031499 174025903 /nfs/dbraw/zinc/02/59/03/174025903.db2.gz ALWFIVXBPMZYQX-NSHDSACASA-N 2 2 270.377 -0.735 20 0 CBADLP CC[C@H](C)NC(=O)C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031499 174025905 /nfs/dbraw/zinc/02/59/05/174025905.db2.gz ALWFIVXBPMZYQX-NSHDSACASA-N 2 2 270.377 -0.735 20 0 CBADLP CC[C@@H](C)NC(=O)[C@@H](C)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031553 174025995 /nfs/dbraw/zinc/02/59/95/174025995.db2.gz BDKZHALARRERKN-VXGBXAGGSA-N 2 2 284.404 -0.347 20 0 CBADLP CC[C@@H](C)NC(=O)[C@@H](C)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031553 174025996 /nfs/dbraw/zinc/02/59/96/174025996.db2.gz BDKZHALARRERKN-VXGBXAGGSA-N 2 2 284.404 -0.347 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+]C[C@@H]2CCCOC2)CC1 ZINC000038045924 174054562 /nfs/dbraw/zinc/05/45/62/174054562.db2.gz BYRFJLRNYXZPKE-LBPRGKRZSA-N 2 2 255.362 -0.223 20 0 CBADLP C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+](C)C[C@H](O)C[NH3+] ZINC000336794644 287291156 /nfs/dbraw/zinc/29/11/56/287291156.db2.gz DONYIDLSZAZMDW-UTUOFQBUSA-N 2 2 257.378 -0.067 20 0 CBADLP C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000336794644 287291159 /nfs/dbraw/zinc/29/11/59/287291159.db2.gz DONYIDLSZAZMDW-UTUOFQBUSA-N 2 2 257.378 -0.067 20 0 CBADLP CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000040599082 174349712 /nfs/dbraw/zinc/34/97/12/174349712.db2.gz QRZHQYCTZGSAEE-JTQLQIEISA-N 2 2 256.350 -0.237 20 0 CBADLP CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000040599082 174349713 /nfs/dbraw/zinc/34/97/13/174349713.db2.gz QRZHQYCTZGSAEE-JTQLQIEISA-N 2 2 256.350 -0.237 20 0 CBADLP O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000575138799 335071873 /nfs/dbraw/zinc/07/18/73/335071873.db2.gz NADMBTCLKNPDTO-QWRGUYRKSA-N 2 2 291.355 -0.059 20 0 CBADLP C[C@H](C(=O)NCCNc1cc[nH+]cc1)[NH+]1CCOCC1 ZINC000355821366 228009444 /nfs/dbraw/zinc/00/94/44/228009444.db2.gz SLRYYMWSZIEJIY-GFCCVEGCSA-N 2 2 278.356 -0.248 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N(C)CC[NH+](C)C ZINC000356106769 228122839 /nfs/dbraw/zinc/12/28/39/228122839.db2.gz DKJUJGWNLQMQHA-GFCCVEGCSA-N 2 2 272.393 -0.090 20 0 CBADLP C[NH2+][C@@H](C)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000054074739 544421498 /nfs/dbraw/zinc/42/14/98/544421498.db2.gz IHBWGDHRKLIRIF-RYUDHWBXSA-N 2 2 255.362 -0.083 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H](CCO)C2)CC1 ZINC000051895467 544421773 /nfs/dbraw/zinc/42/17/73/544421773.db2.gz XRNANUGQTNHLFQ-CYBMUJFWSA-N 2 2 269.389 -0.145 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H](CCO)C2)CC1 ZINC000051895467 544421777 /nfs/dbraw/zinc/42/17/77/544421777.db2.gz XRNANUGQTNHLFQ-CYBMUJFWSA-N 2 2 269.389 -0.145 20 0 CBADLP C[NH+](C)CCC[NH2+]Cc1ccc(S(N)(=O)=O)o1 ZINC000088538774 544435349 /nfs/dbraw/zinc/43/53/49/544435349.db2.gz ZSQSCGDKRHGTMU-UHFFFAOYSA-N 2 2 261.347 -0.032 20 0 CBADLP [NH3+]CCOCC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000093231331 544442893 /nfs/dbraw/zinc/44/28/93/544442893.db2.gz DYDSWPNUJSSCKF-UHFFFAOYSA-N 2 2 278.356 -0.299 20 0 CBADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H](O)C1CC1 ZINC000093188206 544442936 /nfs/dbraw/zinc/44/29/36/544442936.db2.gz FCFZVJIIFGQXCU-GFCCVEGCSA-N 2 2 255.362 -0.537 20 0 CBADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H](O)C1CC1 ZINC000093188206 544442942 /nfs/dbraw/zinc/44/29/42/544442942.db2.gz FCFZVJIIFGQXCU-GFCCVEGCSA-N 2 2 255.362 -0.537 20 0 CBADLP O=C(NCC[NH+]1CCOCC1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111243154 544448592 /nfs/dbraw/zinc/44/85/92/544448592.db2.gz LZGIVJJLRBPQTH-NSHDSACASA-N 2 2 295.305 -0.023 20 0 CBADLP OCC[N@H+](CCn1cc[nH+]c1)CCN1CCOCC1 ZINC000131756156 544459127 /nfs/dbraw/zinc/45/91/27/544459127.db2.gz VAALLRKFPAUYSB-UHFFFAOYSA-N 2 2 268.361 -0.490 20 0 CBADLP OCC[N@@H+](CCn1cc[nH+]c1)CCN1CCOCC1 ZINC000131756156 544459130 /nfs/dbraw/zinc/45/91/30/544459130.db2.gz VAALLRKFPAUYSB-UHFFFAOYSA-N 2 2 268.361 -0.490 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000157972468 544473292 /nfs/dbraw/zinc/47/32/92/544473292.db2.gz ZOYDAKCJYGVFOE-UONOGXRCSA-N 3 2 280.416 -0.023 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000157972468 544473294 /nfs/dbraw/zinc/47/32/94/544473294.db2.gz ZOYDAKCJYGVFOE-UONOGXRCSA-N 3 2 280.416 -0.023 20 0 CBADLP C[NH+](C)CC(=O)N1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000179157450 544482279 /nfs/dbraw/zinc/48/22/79/544482279.db2.gz VIZWKVSPBQKEKJ-CHWSQXEVSA-N 2 2 269.389 -0.004 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000236577144 544506414 /nfs/dbraw/zinc/50/64/14/544506414.db2.gz RIFLJAPSOMJDKK-HNNXBMFYSA-N 2 2 296.415 -0.344 20 0 CBADLP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(=O)NC[C@H]2CCCO2)C1 ZINC000252790672 544514696 /nfs/dbraw/zinc/51/46/96/544514696.db2.gz SQPFUZPMZSLWCU-SDDRHHMPSA-N 2 2 255.362 -0.049 20 0 CBADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)NC[C@H]2CCCO2)C1 ZINC000252790672 544514701 /nfs/dbraw/zinc/51/47/01/544514701.db2.gz SQPFUZPMZSLWCU-SDDRHHMPSA-N 2 2 255.362 -0.049 20 0 CBADLP O=C(NCC[NH+]1CCOCC1)NC[C@@H]1CCCC[NH2+]1 ZINC000257975039 544515708 /nfs/dbraw/zinc/51/57/08/544515708.db2.gz CEQSPKOECDVFLM-LBPRGKRZSA-N 2 2 270.377 -0.240 20 0 CBADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000261833492 544517830 /nfs/dbraw/zinc/51/78/30/544517830.db2.gz YZVYNYRCIQWPDH-SNVBAGLBSA-N 2 2 268.361 -0.854 20 0 CBADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCN1C(=O)CNC1=O)C2 ZINC000660658708 419416096 /nfs/dbraw/zinc/41/60/96/419416096.db2.gz JIEVJBHGFAMDPI-CQSZACIVSA-N 2 2 280.372 -0.044 20 0 CBADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCN1C(=O)CNC1=O)C2 ZINC000660658708 419416102 /nfs/dbraw/zinc/41/61/02/419416102.db2.gz JIEVJBHGFAMDPI-CQSZACIVSA-N 2 2 280.372 -0.044 20 0 CBADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCN1C(=O)CNC1=O)C2 ZINC000660658708 419416116 /nfs/dbraw/zinc/41/61/16/419416116.db2.gz JIEVJBHGFAMDPI-CQSZACIVSA-N 2 2 280.372 -0.044 20 0 CBADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCN1C(=O)CNC1=O)C2 ZINC000660658708 419416124 /nfs/dbraw/zinc/41/61/24/419416124.db2.gz JIEVJBHGFAMDPI-CQSZACIVSA-N 2 2 280.372 -0.044 20 0 CBADLP Cc1nc(N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)nc(N)[nH+]1 ZINC000631299726 419478958 /nfs/dbraw/zinc/47/89/58/419478958.db2.gz BEEYZHPNOZPVKE-DTORHVGOSA-N 2 2 266.349 -0.346 20 0 CBADLP Cc1nc(N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)nc(N)[nH+]1 ZINC000631299726 419478963 /nfs/dbraw/zinc/47/89/63/419478963.db2.gz BEEYZHPNOZPVKE-DTORHVGOSA-N 2 2 266.349 -0.346 20 0 CBADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CC(=O)N1CCNC1=O)C2 ZINC000660653744 419420525 /nfs/dbraw/zinc/42/05/25/419420525.db2.gz VPNNATIEAWBWQW-AWEZNQCLSA-N 2 2 280.372 -0.044 20 0 CBADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](CC(=O)N1CCNC1=O)C2 ZINC000660653744 419420535 /nfs/dbraw/zinc/42/05/35/419420535.db2.gz VPNNATIEAWBWQW-AWEZNQCLSA-N 2 2 280.372 -0.044 20 0 CBADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](CC(=O)N1CCNC1=O)C2 ZINC000660653744 419420542 /nfs/dbraw/zinc/42/05/42/419420542.db2.gz VPNNATIEAWBWQW-AWEZNQCLSA-N 2 2 280.372 -0.044 20 0 CBADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CC(=O)N1CCNC1=O)C2 ZINC000660653744 419420547 /nfs/dbraw/zinc/42/05/47/419420547.db2.gz VPNNATIEAWBWQW-AWEZNQCLSA-N 2 2 280.372 -0.044 20 0 CBADLP Cc1nc(NCC[N@@H+]2CC[C@H](O)C2)nc(N(C)C)[nH+]1 ZINC000624773252 419428009 /nfs/dbraw/zinc/42/80/09/419428009.db2.gz FVTRIPMMDBVGCM-JTQLQIEISA-N 2 2 266.349 -0.275 20 0 CBADLP Cc1nc(NCC[N@H+]2CC[C@H](O)C2)nc(N(C)C)[nH+]1 ZINC000624773252 419428018 /nfs/dbraw/zinc/42/80/18/419428018.db2.gz FVTRIPMMDBVGCM-JTQLQIEISA-N 2 2 266.349 -0.275 20 0 CBADLP O[C@H]1CC[N@H+](CCNc2cc[nH+]c(N3CCOCC3)n2)C1 ZINC000624772671 419428318 /nfs/dbraw/zinc/42/83/18/419428318.db2.gz BVICASVIADKFAL-LBPRGKRZSA-N 2 2 293.371 -0.208 20 0 CBADLP O[C@H]1CC[N@@H+](CCNc2cc[nH+]c(N3CCOCC3)n2)C1 ZINC000624772671 419428326 /nfs/dbraw/zinc/42/83/26/419428326.db2.gz BVICASVIADKFAL-LBPRGKRZSA-N 2 2 293.371 -0.208 20 0 CBADLP O=C([C@H]1C[NH2+]CCO1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000043709737 419428848 /nfs/dbraw/zinc/42/88/48/419428848.db2.gz IUZPLNAJKMUIEH-CHWSQXEVSA-N 2 2 283.372 -0.702 20 0 CBADLP O=C([C@@H]1C[NH2+]CCO1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000043709794 419429219 /nfs/dbraw/zinc/42/92/19/419429219.db2.gz NRXVTOPAUPBHQC-AWEZNQCLSA-N 2 2 290.367 -0.286 20 0 CBADLP CN(C)c1nc(N)nc(C[NH+]2CCC(C[NH3+])CC2)n1 ZINC000044513454 419432134 /nfs/dbraw/zinc/43/21/34/419432134.db2.gz DUQCPVWZCXAMPE-UHFFFAOYSA-N 2 2 265.365 -0.310 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000626027131 419432282 /nfs/dbraw/zinc/43/22/82/419432282.db2.gz MJTYJFUMNVWESP-CYBMUJFWSA-N 2 2 296.371 -0.657 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N(C)CC1C[NH+](C)C1 ZINC000660856298 419450835 /nfs/dbraw/zinc/45/08/35/419450835.db2.gz IAEFTWGLGBWSAN-GFCCVEGCSA-N 2 2 284.404 -0.090 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N(C)CC1C[NH+](C)C1 ZINC000660856298 419450839 /nfs/dbraw/zinc/45/08/39/419450839.db2.gz IAEFTWGLGBWSAN-GFCCVEGCSA-N 2 2 284.404 -0.090 20 0 CBADLP Cn1c[nH+]c(CN2CCN(CC[NH+](C)C)C(=O)C2)c1 ZINC000660913180 419459244 /nfs/dbraw/zinc/45/92/44/419459244.db2.gz MARAQRLQNREQFJ-UHFFFAOYSA-N 2 2 265.361 -0.374 20 0 CBADLP CO[C@@H](C[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1)[C@H]1CCOC1 ZINC000660912748 419459837 /nfs/dbraw/zinc/45/98/37/419459837.db2.gz PFDAJVHFLGJIEW-KBPBESRZSA-N 2 2 299.415 -0.256 20 0 CBADLP CO[C@@H](C[N@H+]1CCN(CC[NH+](C)C)C(=O)C1)[C@H]1CCOC1 ZINC000660912748 419459845 /nfs/dbraw/zinc/45/98/45/419459845.db2.gz PFDAJVHFLGJIEW-KBPBESRZSA-N 2 2 299.415 -0.256 20 0 CBADLP CO[C@H](C[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1)[C@H]1CCOC1 ZINC000660912755 419460479 /nfs/dbraw/zinc/46/04/79/419460479.db2.gz PFDAJVHFLGJIEW-UONOGXRCSA-N 2 2 299.415 -0.256 20 0 CBADLP CO[C@H](C[N@H+]1CCN(CC[NH+](C)C)C(=O)C1)[C@H]1CCOC1 ZINC000660912755 419460489 /nfs/dbraw/zinc/46/04/89/419460489.db2.gz PFDAJVHFLGJIEW-UONOGXRCSA-N 2 2 299.415 -0.256 20 0 CBADLP Cc1cc(NC(=O)C[N@H+](C)CCN2CC[NH2+]CC2)on1 ZINC000071150308 419462201 /nfs/dbraw/zinc/46/22/01/419462201.db2.gz HPCXFPDYJUFKFR-UHFFFAOYSA-N 2 2 281.360 -0.241 20 0 CBADLP Cc1cc(NC(=O)C[N@@H+](C)CCN2CC[NH2+]CC2)on1 ZINC000071150308 419462208 /nfs/dbraw/zinc/46/22/08/419462208.db2.gz HPCXFPDYJUFKFR-UHFFFAOYSA-N 2 2 281.360 -0.241 20 0 CBADLP COCC[N@H+](C)C[C@H](O)CN(C)Cc1c[nH+]c[nH]1 ZINC000661091564 419469004 /nfs/dbraw/zinc/46/90/04/419469004.db2.gz ZRJDGTMJAAAUFG-LBPRGKRZSA-N 2 2 256.350 -0.219 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)CN(C)Cc1c[nH+]c[nH]1 ZINC000661091564 419469007 /nfs/dbraw/zinc/46/90/07/419469007.db2.gz ZRJDGTMJAAAUFG-LBPRGKRZSA-N 2 2 256.350 -0.219 20 0 CBADLP COCC[N@H+](C)C[C@H](O)CN(C)Cc1c[nH]c[nH+]1 ZINC000661091564 419469012 /nfs/dbraw/zinc/46/90/12/419469012.db2.gz ZRJDGTMJAAAUFG-LBPRGKRZSA-N 2 2 256.350 -0.219 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)CN(C)Cc1c[nH]c[nH+]1 ZINC000661091564 419469016 /nfs/dbraw/zinc/46/90/16/419469016.db2.gz ZRJDGTMJAAAUFG-LBPRGKRZSA-N 2 2 256.350 -0.219 20 0 CBADLP Cc1nc(N2CC[C@H](C[NH+]3CCOCC3)C2)nc(N)[nH+]1 ZINC000631130981 419470365 /nfs/dbraw/zinc/47/03/65/419470365.db2.gz PFSWRSVAEQVHSI-LLVKDONJSA-N 2 2 278.360 -0.079 20 0 CBADLP Cc1nc(N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)nc(N)[nH+]1 ZINC000631215325 419470752 /nfs/dbraw/zinc/47/07/52/419470752.db2.gz QSQOWPRDRLWGEY-DTWKUNHWSA-N 2 2 266.349 -0.346 20 0 CBADLP Cc1nc(N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)nc(N)[nH+]1 ZINC000631215325 419470761 /nfs/dbraw/zinc/47/07/61/419470761.db2.gz QSQOWPRDRLWGEY-DTWKUNHWSA-N 2 2 266.349 -0.346 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+](CCOCCO)C2CCC2)CC1 ZINC000661103700 419471041 /nfs/dbraw/zinc/47/10/41/419471041.db2.gz UNFDYHHXWZZCAZ-UHFFFAOYSA-N 2 2 299.415 -0.376 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+](CCOCCO)C2CCC2)CC1 ZINC000661103700 419471050 /nfs/dbraw/zinc/47/10/50/419471050.db2.gz UNFDYHHXWZZCAZ-UHFFFAOYSA-N 2 2 299.415 -0.376 20 0 CBADLP CC[NH+]1CCN([C@H](C)CNc2nc(C)[nH+]c(N)n2)CC1 ZINC000631059303 419474016 /nfs/dbraw/zinc/47/40/16/419474016.db2.gz KTGUWHZDJOJOFR-SNVBAGLBSA-N 2 2 279.392 -0.378 20 0 CBADLP Cc1nc(N2CC[NH+](C[C@H](C)O)CC2)nc(N)[nH+]1 ZINC000631099020 419474323 /nfs/dbraw/zinc/47/43/23/419474323.db2.gz UFFGMLZERKCYIU-QMMMGPOBSA-N 2 2 252.322 -0.735 20 0 CBADLP Cc1nc(N2CC[N@@H+]3CCOC[C@@H]3C2)nc(N)[nH+]1 ZINC000631207239 419474517 /nfs/dbraw/zinc/47/45/17/419474517.db2.gz GBCNKSUDLIUAIJ-VIFPVBQESA-N 2 2 250.306 -0.717 20 0 CBADLP Cc1nc(N2CC[N@H+]3CCOC[C@@H]3C2)nc(N)[nH+]1 ZINC000631207239 419474521 /nfs/dbraw/zinc/47/45/21/419474521.db2.gz GBCNKSUDLIUAIJ-VIFPVBQESA-N 2 2 250.306 -0.717 20 0 CBADLP Cc1nc(N2CC[NH+](C(C)(C)CO)CC2)nc(N)[nH+]1 ZINC000631120643 419474796 /nfs/dbraw/zinc/47/47/96/419474796.db2.gz VTISNLFTOVIDRK-UHFFFAOYSA-N 2 2 266.349 -0.345 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)CC1 ZINC000661715960 419522961 /nfs/dbraw/zinc/52/29/61/419522961.db2.gz QTFJLJNECGGEGO-WCQYABFASA-N 2 2 253.346 -0.783 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@]3(O)C[C@H]3C2)CC1 ZINC000661715960 419522966 /nfs/dbraw/zinc/52/29/66/419522966.db2.gz QTFJLJNECGGEGO-WCQYABFASA-N 2 2 253.346 -0.783 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)N2CC[NH+](C)CC2)CC1 ZINC000192687408 419537832 /nfs/dbraw/zinc/53/78/32/419537832.db2.gz KOOHDFRYNIWYDD-CYBMUJFWSA-N 2 2 268.405 -0.214 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC(CO)(CO)C2)CC1 ZINC000661971973 419538398 /nfs/dbraw/zinc/53/83/98/419538398.db2.gz YODFEYRRSPDYRN-ZDUSSCGKSA-N 2 2 299.415 -0.784 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC(CO)(CO)C2)CC1 ZINC000661971973 419538406 /nfs/dbraw/zinc/53/84/06/419538406.db2.gz YODFEYRRSPDYRN-ZDUSSCGKSA-N 2 2 299.415 -0.784 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC2(COC2)C1 ZINC000662075083 419544169 /nfs/dbraw/zinc/54/41/69/419544169.db2.gz WGKKDRIMRYTCOJ-LBPRGKRZSA-N 2 2 258.362 -0.352 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC2(COC2)C1 ZINC000662075083 419544173 /nfs/dbraw/zinc/54/41/73/419544173.db2.gz WGKKDRIMRYTCOJ-LBPRGKRZSA-N 2 2 258.362 -0.352 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC2(COC2)C1 ZINC000662075083 419544178 /nfs/dbraw/zinc/54/41/78/419544178.db2.gz WGKKDRIMRYTCOJ-LBPRGKRZSA-N 2 2 258.362 -0.352 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC2(COC2)C1 ZINC000662075083 419544184 /nfs/dbraw/zinc/54/41/84/419544184.db2.gz WGKKDRIMRYTCOJ-LBPRGKRZSA-N 2 2 258.362 -0.352 20 0 CBADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)[C@@H]2C[NH+](C)CCO2)C[C@H](C)O1 ZINC000194764150 419555954 /nfs/dbraw/zinc/55/59/54/419555954.db2.gz NOLYUAVDKZHLMC-MJBXVCDLSA-N 2 2 299.415 -0.115 20 0 CBADLP C[C@@H]1C[N@H+](CCN(C)C(=O)[C@@H]2C[NH+](C)CCO2)C[C@H](C)O1 ZINC000194764150 419555961 /nfs/dbraw/zinc/55/59/61/419555961.db2.gz NOLYUAVDKZHLMC-MJBXVCDLSA-N 2 2 299.415 -0.115 20 0 CBADLP C[C@@H]1C[NH+](CCN(C)C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H](C)O1 ZINC000194764150 419555971 /nfs/dbraw/zinc/55/59/71/419555971.db2.gz NOLYUAVDKZHLMC-MJBXVCDLSA-N 2 2 299.415 -0.115 20 0 CBADLP C[C@@H]1C[NH+](CCN(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H](C)O1 ZINC000194764150 419555974 /nfs/dbraw/zinc/55/59/74/419555974.db2.gz NOLYUAVDKZHLMC-MJBXVCDLSA-N 2 2 299.415 -0.115 20 0 CBADLP CCC(=O)N1CCC[N@H+](C[C@@H]2C[NH2+]CCO2)CC1 ZINC000662252804 419560824 /nfs/dbraw/zinc/56/08/24/419560824.db2.gz PNGGJQLBECGULT-LBPRGKRZSA-N 2 2 255.362 -0.081 20 0 CBADLP CCC(=O)N1CCC[N@@H+](C[C@@H]2C[NH2+]CCO2)CC1 ZINC000662252804 419560827 /nfs/dbraw/zinc/56/08/27/419560827.db2.gz PNGGJQLBECGULT-LBPRGKRZSA-N 2 2 255.362 -0.081 20 0 CBADLP COCC(=O)N1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662248576 419560865 /nfs/dbraw/zinc/56/08/65/419560865.db2.gz GMSLNZAUMICUAV-GFCCVEGCSA-N 2 2 283.372 -0.702 20 0 CBADLP CC(C)OCCOC[C@@H](O)C[N@H+](C)C[C@H]1C[NH2+]CCO1 ZINC000662255030 419563050 /nfs/dbraw/zinc/56/30/50/419563050.db2.gz VVBNCBYQIQIGSZ-UONOGXRCSA-N 2 2 290.404 -0.291 20 0 CBADLP CC(C)OCCOC[C@@H](O)C[N@@H+](C)C[C@H]1C[NH2+]CCO1 ZINC000662255030 419563055 /nfs/dbraw/zinc/56/30/55/419563055.db2.gz VVBNCBYQIQIGSZ-UONOGXRCSA-N 2 2 290.404 -0.291 20 0 CBADLP CC(C)(CO)N1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662263554 419565314 /nfs/dbraw/zinc/56/53/14/419565314.db2.gz MZRPMFMDOZCQJI-CYBMUJFWSA-N 2 2 283.416 -0.104 20 0 CBADLP OCC[N@H+](CCOCC(F)(F)F)C[C@H]1C[NH2+]CCO1 ZINC000662258998 419565387 /nfs/dbraw/zinc/56/53/87/419565387.db2.gz ZXFBGDFZZMAOGI-SNVBAGLBSA-N 2 2 286.294 -0.152 20 0 CBADLP OCC[N@@H+](CCOCC(F)(F)F)C[C@H]1C[NH2+]CCO1 ZINC000662258998 419565392 /nfs/dbraw/zinc/56/53/92/419565392.db2.gz ZXFBGDFZZMAOGI-SNVBAGLBSA-N 2 2 286.294 -0.152 20 0 CBADLP COCCOC[C@@H]1CC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662257249 419566488 /nfs/dbraw/zinc/56/64/88/419566488.db2.gz NVQXLVAYLSUILU-OLZOCXBDSA-N 2 2 258.362 -0.040 20 0 CBADLP COCCOC[C@@H]1CC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662257249 419566497 /nfs/dbraw/zinc/56/64/97/419566497.db2.gz NVQXLVAYLSUILU-OLZOCXBDSA-N 2 2 258.362 -0.040 20 0 CBADLP CCOCC[N@@H+]1CCN(C(=O)[C@@H]2C[C@H](O)C[NH2+]2)C[C@@H]1C ZINC000168044441 419503123 /nfs/dbraw/zinc/50/31/23/419503123.db2.gz WDIKMDGJUCCDQU-AVGNSLFASA-N 2 2 285.388 -0.722 20 0 CBADLP CCOCC[N@H+]1CCN(C(=O)[C@@H]2C[C@H](O)C[NH2+]2)C[C@@H]1C ZINC000168044441 419503134 /nfs/dbraw/zinc/50/31/34/419503134.db2.gz WDIKMDGJUCCDQU-AVGNSLFASA-N 2 2 285.388 -0.722 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000661620167 419509515 /nfs/dbraw/zinc/50/95/15/419509515.db2.gz HUPFQZJWLSNZKV-RFQIPJPRSA-N 2 2 274.405 -0.126 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000661620167 419509521 /nfs/dbraw/zinc/50/95/21/419509521.db2.gz HUPFQZJWLSNZKV-RFQIPJPRSA-N 2 2 274.405 -0.126 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000661620167 419509526 /nfs/dbraw/zinc/50/95/26/419509526.db2.gz HUPFQZJWLSNZKV-RFQIPJPRSA-N 2 2 274.405 -0.126 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000661620167 419509529 /nfs/dbraw/zinc/50/95/29/419509529.db2.gz HUPFQZJWLSNZKV-RFQIPJPRSA-N 2 2 274.405 -0.126 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@](O)(C3CC3)C2)CC1 ZINC000661634378 419514324 /nfs/dbraw/zinc/51/43/24/419514324.db2.gz YKVFFDOGQNEGCH-HNNXBMFYSA-N 2 2 281.400 -0.003 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@](O)(C3CC3)C2)CC1 ZINC000661634378 419514329 /nfs/dbraw/zinc/51/43/29/419514329.db2.gz YKVFFDOGQNEGCH-HNNXBMFYSA-N 2 2 281.400 -0.003 20 0 CBADLP O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)[C@H]1CSC[NH2+]1 ZINC000394374412 544579597 /nfs/dbraw/zinc/57/95/97/544579597.db2.gz UKRUBIWJNVGFAB-GHMZBOCLSA-N 2 2 270.402 -0.845 20 0 CBADLP O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)[C@H]1CSC[NH2+]1 ZINC000394374412 544579601 /nfs/dbraw/zinc/57/96/01/544579601.db2.gz UKRUBIWJNVGFAB-GHMZBOCLSA-N 2 2 270.402 -0.845 20 0 CBADLP C[NH2+]CCCC(=O)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000394378748 544579944 /nfs/dbraw/zinc/57/99/44/544579944.db2.gz BFRHDVXGCBRCTC-LBPRGKRZSA-N 2 2 254.378 -0.508 20 0 CBADLP C[NH2+]CCCC(=O)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000394378748 544579948 /nfs/dbraw/zinc/57/99/48/544579948.db2.gz BFRHDVXGCBRCTC-LBPRGKRZSA-N 2 2 254.378 -0.508 20 0 CBADLP CCC[C@H]([NH3+])C(=O)NCC[NH+]1CCN(C(C)=O)CC1 ZINC000236855371 419570255 /nfs/dbraw/zinc/57/02/55/419570255.db2.gz LOCLVCYJSJQCFU-LBPRGKRZSA-N 2 2 270.377 -0.606 20 0 CBADLP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](C[C@H]2C[NH2+]CCO2)CC1 ZINC000662273282 419570478 /nfs/dbraw/zinc/57/04/78/419570478.db2.gz LCBINJGKOUXFRE-MCIONIFRSA-N 3 2 269.389 -0.197 20 0 CBADLP CO[C@H](C[N@H+](CC[NH3+])C[C@H](O)CO)C1CCCC1 ZINC000662285583 419571092 /nfs/dbraw/zinc/57/10/92/419571092.db2.gz DWNGHWCRTFAQBZ-QWHCGFSZSA-N 2 2 260.378 -0.195 20 0 CBADLP CO[C@H](C[N@@H+](CC[NH3+])C[C@H](O)CO)C1CCCC1 ZINC000662285583 419571098 /nfs/dbraw/zinc/57/10/98/419571098.db2.gz DWNGHWCRTFAQBZ-QWHCGFSZSA-N 2 2 260.378 -0.195 20 0 CBADLP CS(=O)(=O)NCC1CC[NH+](C[C@@H]2C[NH2+]CCO2)CC1 ZINC000662278636 419571428 /nfs/dbraw/zinc/57/14/28/419571428.db2.gz JDEYMVXJJDAYHT-LBPRGKRZSA-N 2 2 291.417 -0.764 20 0 CBADLP CC[NH+](CC)[C@@H]1CCN(C(=O)CN2CC[NH2+]CC2=O)C1 ZINC000236861442 419573806 /nfs/dbraw/zinc/57/38/06/419573806.db2.gz ZHLVQODDENSYEH-GFCCVEGCSA-N 2 2 282.388 -0.639 20 0 CBADLP CC1CCN(C(=O)C[NH2+]C2(CO)CC[NH2+]CC2)CC1 ZINC000662285539 419573895 /nfs/dbraw/zinc/57/38/95/419573895.db2.gz CTZNNDMIUAFYLY-UHFFFAOYSA-N 2 2 269.389 -0.051 20 0 CBADLP CN(C)c1noc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)n1 ZINC000662276756 419574517 /nfs/dbraw/zinc/57/45/17/419574517.db2.gz PMBVZGWUBLXTQZ-NSHDSACASA-N 2 2 280.376 -0.385 20 0 CBADLP CN(C)c1noc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)n1 ZINC000662276756 419574523 /nfs/dbraw/zinc/57/45/23/419574523.db2.gz PMBVZGWUBLXTQZ-NSHDSACASA-N 2 2 280.376 -0.385 20 0 CBADLP [NH3+]CC[N@@H+](Cc1cccc(-n2cccn2)c1)C[C@H](O)CO ZINC000662287835 419576839 /nfs/dbraw/zinc/57/68/39/419576839.db2.gz KOOZFXGVRJZHDD-HNNXBMFYSA-N 2 2 290.367 -0.014 20 0 CBADLP [NH3+]CC[N@H+](Cc1cccc(-n2cccn2)c1)C[C@H](O)CO ZINC000662287835 419576845 /nfs/dbraw/zinc/57/68/45/419576845.db2.gz KOOZFXGVRJZHDD-HNNXBMFYSA-N 2 2 290.367 -0.014 20 0 CBADLP [NH3+]CC[N@H+](CCC(=O)Nc1ccc(F)cc1)C[C@H](O)CO ZINC000662288293 419577105 /nfs/dbraw/zinc/57/71/05/419577105.db2.gz NSHNYRSMFOISBL-ZDUSSCGKSA-N 2 2 299.346 -0.232 20 0 CBADLP [NH3+]CC[N@@H+](CCC(=O)Nc1ccc(F)cc1)C[C@H](O)CO ZINC000662288293 419577107 /nfs/dbraw/zinc/57/71/07/419577107.db2.gz NSHNYRSMFOISBL-ZDUSSCGKSA-N 2 2 299.346 -0.232 20 0 CBADLP [NH3+]CC[N@@H+](Cc1ccc(-n2cccn2)cc1)C[C@@H](O)CO ZINC000662287921 419577545 /nfs/dbraw/zinc/57/75/45/419577545.db2.gz KQHUXOBSCJHAHP-OAHLLOKOSA-N 2 2 290.367 -0.014 20 0 CBADLP [NH3+]CC[N@H+](Cc1ccc(-n2cccn2)cc1)C[C@@H](O)CO ZINC000662287921 419577551 /nfs/dbraw/zinc/57/75/51/419577551.db2.gz KQHUXOBSCJHAHP-OAHLLOKOSA-N 2 2 290.367 -0.014 20 0 CBADLP [NH3+]CC[N@H+](CCC(=O)Nc1cccc(F)c1)C[C@H](O)CO ZINC000662288570 419578526 /nfs/dbraw/zinc/57/85/26/419578526.db2.gz QHEVWXYGTFKZLV-ZDUSSCGKSA-N 2 2 299.346 -0.232 20 0 CBADLP [NH3+]CC[N@@H+](CCC(=O)Nc1cccc(F)c1)C[C@H](O)CO ZINC000662288570 419578532 /nfs/dbraw/zinc/57/85/32/419578532.db2.gz QHEVWXYGTFKZLV-ZDUSSCGKSA-N 2 2 299.346 -0.232 20 0 CBADLP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+](C)CC(C)(C)[NH3+] ZINC000662297724 419581015 /nfs/dbraw/zinc/58/10/15/419581015.db2.gz PPZREJQEKOYLAF-MNOVXSKESA-N 2 2 284.404 -0.232 20 0 CBADLP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+](C)CC(C)(C)[NH3+] ZINC000662297724 419581020 /nfs/dbraw/zinc/58/10/20/419581020.db2.gz PPZREJQEKOYLAF-MNOVXSKESA-N 2 2 284.404 -0.232 20 0 CBADLP C[C@H](C[NH+]1CCCCC1)NC(=O)CN1CC[NH2+]CC1=O ZINC000237660825 419582325 /nfs/dbraw/zinc/58/23/25/419582325.db2.gz LJIBTKGEVRHRHC-GFCCVEGCSA-N 2 2 282.388 -0.591 20 0 CBADLP C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(C(=O)CC[NH3+])CC1 ZINC000237396012 419583709 /nfs/dbraw/zinc/58/37/09/419583709.db2.gz APTQYVZPRZBVQA-GFCCVEGCSA-N 2 2 296.415 -0.073 20 0 CBADLP O=C1CCCN1C[C@H]1CC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662314672 419584316 /nfs/dbraw/zinc/58/43/16/419584316.db2.gz AKKUGERSSBVXKS-STQMWFEESA-N 2 2 267.373 -0.081 20 0 CBADLP O=C1CCCN1C[C@H]1CC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662314672 419584323 /nfs/dbraw/zinc/58/43/23/419584323.db2.gz AKKUGERSSBVXKS-STQMWFEESA-N 2 2 267.373 -0.081 20 0 CBADLP O=C(CC1CC[NH2+]CC1)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000394385177 544581928 /nfs/dbraw/zinc/58/19/28/544581928.db2.gz LAZKWLOWBIQKMG-CQSZACIVSA-N 2 2 280.416 -0.118 20 0 CBADLP O=C(CC1CC[NH2+]CC1)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000394385177 544581932 /nfs/dbraw/zinc/58/19/32/544581932.db2.gz LAZKWLOWBIQKMG-CQSZACIVSA-N 2 2 280.416 -0.118 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)NCC[NH+]1CCCCC1 ZINC000238106690 419587060 /nfs/dbraw/zinc/58/70/60/419587060.db2.gz XDDSYRGPGHDIIE-UHFFFAOYSA-N 2 2 268.361 -0.980 20 0 CBADLP CCOCC[N@@H+]1CCN(C(=O)[C@H]2COCC[NH2+]2)C[C@@H]1C ZINC000246510831 419592348 /nfs/dbraw/zinc/59/23/48/419592348.db2.gz QOGGWFYLZLAROW-QWHCGFSZSA-N 2 2 285.388 -0.456 20 0 CBADLP CCOCC[N@H+]1CCN(C(=O)[C@H]2COCC[NH2+]2)C[C@@H]1C ZINC000246510831 419592357 /nfs/dbraw/zinc/59/23/57/419592357.db2.gz QOGGWFYLZLAROW-QWHCGFSZSA-N 2 2 285.388 -0.456 20 0 CBADLP O=C(NCc1ccc(N2CCCC2)[nH+]c1)C1(O)C[NH2+]C1 ZINC000662392675 419592278 /nfs/dbraw/zinc/59/22/78/419592278.db2.gz XMFLZROCTFOYCO-UHFFFAOYSA-N 2 2 276.340 -0.368 20 0 CBADLP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccc(N)nc1 ZINC000647486157 419592795 /nfs/dbraw/zinc/59/27/95/419592795.db2.gz VSVDRNZYIREFSL-UHFFFAOYSA-N 2 2 263.345 -0.473 20 0 CBADLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccc(N)nc1 ZINC000647486157 419592801 /nfs/dbraw/zinc/59/28/01/419592801.db2.gz VSVDRNZYIREFSL-UHFFFAOYSA-N 2 2 263.345 -0.473 20 0 CBADLP CO[C@]1(CO)CCC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000401706107 544585979 /nfs/dbraw/zinc/58/59/79/544585979.db2.gz DRAYDUWQJRNSEG-UONOGXRCSA-N 2 2 272.389 -0.085 20 0 CBADLP CO[C@]1(CO)CCC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000401706107 544585981 /nfs/dbraw/zinc/58/59/81/544585981.db2.gz DRAYDUWQJRNSEG-UONOGXRCSA-N 2 2 272.389 -0.085 20 0 CBADLP CO[C@]1(CO)CCC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000401706107 544585984 /nfs/dbraw/zinc/58/59/84/544585984.db2.gz DRAYDUWQJRNSEG-UONOGXRCSA-N 2 2 272.389 -0.085 20 0 CBADLP CO[C@]1(CO)CCC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000401706107 544585985 /nfs/dbraw/zinc/58/59/85/544585985.db2.gz DRAYDUWQJRNSEG-UONOGXRCSA-N 2 2 272.389 -0.085 20 0 CBADLP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CC[C@H]3CC[NH2+][C@H]3C2)C1 ZINC000647534022 419601413 /nfs/dbraw/zinc/60/14/13/419601413.db2.gz DREBDJNWPWKAAV-MCIONIFRSA-N 3 2 280.416 -0.133 20 0 CBADLP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CC[C@H]3CC[NH2+][C@H]3C2)C1 ZINC000647534022 419601418 /nfs/dbraw/zinc/60/14/18/419601418.db2.gz DREBDJNWPWKAAV-MCIONIFRSA-N 3 2 280.416 -0.133 20 0 CBADLP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CC[C@H]3CC[NH2+][C@@H]3C2)C1 ZINC000647534023 419604302 /nfs/dbraw/zinc/60/43/02/419604302.db2.gz DREBDJNWPWKAAV-MGPQQGTHSA-N 3 2 280.416 -0.133 20 0 CBADLP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CC[C@H]3CC[NH2+][C@@H]3C2)C1 ZINC000647534023 419604308 /nfs/dbraw/zinc/60/43/08/419604308.db2.gz DREBDJNWPWKAAV-MGPQQGTHSA-N 3 2 280.416 -0.133 20 0 CBADLP CC(C)OC[C@H]([NH3+])C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000662434051 419605805 /nfs/dbraw/zinc/60/58/05/419605805.db2.gz GIPJGONZKSZTKF-LBPRGKRZSA-N 2 2 287.404 -0.034 20 0 CBADLP CC(C)OC[C@H]([NH3+])C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000662434051 419605810 /nfs/dbraw/zinc/60/58/10/419605810.db2.gz GIPJGONZKSZTKF-LBPRGKRZSA-N 2 2 287.404 -0.034 20 0 CBADLP CC(C)OC[C@H]([NH3+])C(=O)N(C)CC[NH+]1CCOCC1 ZINC000662440026 419605852 /nfs/dbraw/zinc/60/58/52/419605852.db2.gz SXKYVRQALMTAFL-LBPRGKRZSA-N 2 2 273.377 -0.471 20 0 CBADLP C[C@@H]1C[NH2+]C[C@@H]([NH2+]C[C@H]2CCCN2S(C)(=O)=O)C1 ZINC000647549683 419607435 /nfs/dbraw/zinc/60/74/35/419607435.db2.gz NBKRJKYZJXYPHQ-SDDRHHMPSA-N 2 2 275.418 -0.002 20 0 CBADLP CC(C)OC[C@H]([NH3+])C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000662444955 419607941 /nfs/dbraw/zinc/60/79/41/419607941.db2.gz LBYZNIOXOFOTEE-NEPJUHHUSA-N 2 2 273.377 -0.424 20 0 CBADLP CC(C)OC[C@H]([NH3+])C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000662444955 419607949 /nfs/dbraw/zinc/60/79/49/419607949.db2.gz LBYZNIOXOFOTEE-NEPJUHHUSA-N 2 2 273.377 -0.424 20 0 CBADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1COC[C@H]1O ZINC000647536874 419608574 /nfs/dbraw/zinc/60/85/74/419608574.db2.gz QBEDUSPRLCJYLH-RBSFLKMASA-N 2 2 280.368 -0.171 20 0 CBADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1COC[C@H]1O ZINC000647536874 419608582 /nfs/dbraw/zinc/60/85/82/419608582.db2.gz QBEDUSPRLCJYLH-RBSFLKMASA-N 2 2 280.368 -0.171 20 0 CBADLP CO[C@@]1(CO)CCC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000401706102 544585043 /nfs/dbraw/zinc/58/50/43/544585043.db2.gz DRAYDUWQJRNSEG-KBPBESRZSA-N 2 2 272.389 -0.085 20 0 CBADLP CO[C@@]1(CO)CCC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000401706102 544585045 /nfs/dbraw/zinc/58/50/45/544585045.db2.gz DRAYDUWQJRNSEG-KBPBESRZSA-N 2 2 272.389 -0.085 20 0 CBADLP CO[C@@]1(CO)CCC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000401706102 544585046 /nfs/dbraw/zinc/58/50/46/544585046.db2.gz DRAYDUWQJRNSEG-KBPBESRZSA-N 2 2 272.389 -0.085 20 0 CBADLP CO[C@@]1(CO)CCC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000401706102 544585048 /nfs/dbraw/zinc/58/50/48/544585048.db2.gz DRAYDUWQJRNSEG-KBPBESRZSA-N 2 2 272.389 -0.085 20 0 CBADLP Cc1cn2c([nH+]1)CN(C(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])CC2 ZINC000647597929 419618890 /nfs/dbraw/zinc/61/88/90/419618890.db2.gz ZTOZMYQTKIFSRR-NXEZZACHSA-N 2 2 293.371 -0.224 20 0 CBADLP C[N@H+](C[C@@H](O)C[NH2+]CC(C)(C)S(C)(=O)=O)C1CC1 ZINC000310849866 419619213 /nfs/dbraw/zinc/61/92/13/419619213.db2.gz IWNLURYBZRXDRD-NSHDSACASA-N 2 2 278.418 -0.146 20 0 CBADLP C[N@@H+](C[C@@H](O)C[NH2+]CC(C)(C)S(C)(=O)=O)C1CC1 ZINC000310849866 419619220 /nfs/dbraw/zinc/61/92/20/419619220.db2.gz IWNLURYBZRXDRD-NSHDSACASA-N 2 2 278.418 -0.146 20 0 CBADLP O=C(c1c[nH]nc1[C@H]1CC[NH2+]C1)N1CC[NH+](CCO)CC1 ZINC000662517734 419629515 /nfs/dbraw/zinc/62/95/15/419629515.db2.gz XLSPURWRUGDDMW-NSHDSACASA-N 2 2 293.371 -0.763 20 0 CBADLP C[C@@H]([NH3+])[C@H](C)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000662630593 419661105 /nfs/dbraw/zinc/66/11/05/419661105.db2.gz FZNKIVPESFTGII-NWDGAFQWSA-N 3 2 258.410 -0.031 20 0 CBADLP C[C@@H]([NH3+])[C@H](C)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000662630593 419661111 /nfs/dbraw/zinc/66/11/11/419661111.db2.gz FZNKIVPESFTGII-NWDGAFQWSA-N 3 2 258.410 -0.031 20 0 CBADLP [NH3+]C1(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CCC1 ZINC000662655560 419669581 /nfs/dbraw/zinc/66/95/81/419669581.db2.gz JLTIGJLGHNIJOL-NSHDSACASA-N 2 2 253.346 -0.199 20 0 CBADLP C[C@@H](C(=O)N1CC[NH2+]CC1(C)C)[NH+]1CCN(C)CC1 ZINC000647841277 419670126 /nfs/dbraw/zinc/67/01/26/419670126.db2.gz FVOKFIIWRCNILD-LBPRGKRZSA-N 2 2 268.405 -0.167 20 0 CBADLP O=C([C@H]1CCC[NH2+]1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000662655857 419671613 /nfs/dbraw/zinc/67/16/13/419671613.db2.gz LYYHFCMKUINVHI-VXGBXAGGSA-N 2 2 253.346 -0.329 20 0 CBADLP O=C(N1CC[NH+](Cc2ccccc2)CC1)C1(O)C[NH2+]C1 ZINC000662660923 419674732 /nfs/dbraw/zinc/67/47/32/419674732.db2.gz ZUKUOJFSSKGQOE-UHFFFAOYSA-N 2 2 275.352 -0.335 20 0 CBADLP C[C@@H]([NH3+])[C@H]1C[N@H+](CCCN2C(=O)NC(C)(C)C2=O)CCO1 ZINC000647864618 419676672 /nfs/dbraw/zinc/67/66/72/419676672.db2.gz YGICWFSMLCFRMX-GHMZBOCLSA-N 2 2 298.387 -0.245 20 0 CBADLP C[C@@H]([NH3+])[C@H]1C[N@@H+](CCCN2C(=O)NC(C)(C)C2=O)CCO1 ZINC000647864618 419676682 /nfs/dbraw/zinc/67/66/82/419676682.db2.gz YGICWFSMLCFRMX-GHMZBOCLSA-N 2 2 298.387 -0.245 20 0 CBADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000662669533 419677152 /nfs/dbraw/zinc/67/71/52/419677152.db2.gz DMQXDHUURBVAOP-JOCQHMNTSA-N 2 2 296.415 -0.264 20 0 CBADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C2(O)C[NH2+]C2)C[C@@H](C)O1 ZINC000662671074 419679013 /nfs/dbraw/zinc/67/90/13/419679013.db2.gz LPVSNJPSSARVCV-GHMZBOCLSA-N 2 2 285.388 -0.675 20 0 CBADLP CC[C@H]([NH2+]C)C(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000662669985 419679072 /nfs/dbraw/zinc/67/90/72/419679072.db2.gz BLWOEIDRQMDJPO-YPMHNXCESA-N 2 2 296.415 -0.204 20 0 CBADLP CN(C)c1[nH+]cccc1CNC(=O)C1(O)C[NH2+]C1 ZINC000662679075 419679325 /nfs/dbraw/zinc/67/93/25/419679325.db2.gz KNIUIMDTAXTRME-UHFFFAOYSA-N 2 2 250.302 -0.902 20 0 CBADLP OCC[NH2+]C1CCN(c2nc[nH+]c3c2OCCN3)CC1 ZINC000647875591 419682090 /nfs/dbraw/zinc/68/20/90/419682090.db2.gz ILNNPVUDJDXWBW-UHFFFAOYSA-N 2 2 279.344 -0.168 20 0 CBADLP OCC[NH2+]C1CCN(c2[nH+]cnc3c2OCCN3)CC1 ZINC000647875591 419682102 /nfs/dbraw/zinc/68/21/02/419682102.db2.gz ILNNPVUDJDXWBW-UHFFFAOYSA-N 2 2 279.344 -0.168 20 0 CBADLP CS(=O)(=O)N[C@H]1CCC[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647877261 419683305 /nfs/dbraw/zinc/68/33/05/419683305.db2.gz MNFIOHPTXCAINV-MNOVXSKESA-N 2 2 261.391 -0.391 20 0 CBADLP CS(=O)(=O)N[C@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647877261 419683311 /nfs/dbraw/zinc/68/33/11/419683311.db2.gz MNFIOHPTXCAINV-MNOVXSKESA-N 2 2 261.391 -0.391 20 0 CBADLP CNS(=O)(=O)[C@H]1CCC[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647885861 419685114 /nfs/dbraw/zinc/68/51/14/419685114.db2.gz YZHMUBVGDDUNKV-QWRGUYRKSA-N 2 2 261.391 -0.391 20 0 CBADLP CNS(=O)(=O)[C@H]1CCC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647885861 419685119 /nfs/dbraw/zinc/68/51/19/419685119.db2.gz YZHMUBVGDDUNKV-QWRGUYRKSA-N 2 2 261.391 -0.391 20 0 CBADLP O=C(C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)N1CCNC(=O)C1 ZINC000647901707 419687067 /nfs/dbraw/zinc/68/70/67/419687067.db2.gz UEHVEJGEHBRAEM-STQMWFEESA-N 2 2 294.399 -0.591 20 0 CBADLP O=C(C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)N1CCNC(=O)C1 ZINC000647901707 419687073 /nfs/dbraw/zinc/68/70/73/419687073.db2.gz UEHVEJGEHBRAEM-STQMWFEESA-N 2 2 294.399 -0.591 20 0 CBADLP CO[C@@H]1CC[N@H+](CCC(=O)N2CC[NH2+]CC2)[C@@H](C[NH3+])C1 ZINC000647907026 419688474 /nfs/dbraw/zinc/68/84/74/419688474.db2.gz ZSEPPLBSIDYLLF-CHWSQXEVSA-N 3 2 284.404 -0.754 20 0 CBADLP CS(=O)(=O)NCC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647904132 419688502 /nfs/dbraw/zinc/68/85/02/419688502.db2.gz XKRWBJRHMRYNKH-VXGBXAGGSA-N 2 2 275.418 0.000 20 0 CBADLP CS(=O)(=O)NCC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647904132 419688505 /nfs/dbraw/zinc/68/85/05/419688505.db2.gz XKRWBJRHMRYNKH-VXGBXAGGSA-N 2 2 275.418 0.000 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CCO[C@@H]2C[NH3+])CCO1 ZINC000662701187 419691702 /nfs/dbraw/zinc/69/17/02/419691702.db2.gz MRMJRXVPGGMJGH-IJLUTSLNSA-N 2 2 271.361 -0.813 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2CCO[C@@H]2C[NH3+])CCO1 ZINC000662701187 419691708 /nfs/dbraw/zinc/69/17/08/419691708.db2.gz MRMJRXVPGGMJGH-IJLUTSLNSA-N 2 2 271.361 -0.813 20 0 CBADLP [NH3+]CCC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000662704228 419693857 /nfs/dbraw/zinc/69/38/57/419693857.db2.gz WZRVETLHOHQVDM-UHFFFAOYSA-N 2 2 255.362 -0.094 20 0 CBADLP CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000662704232 419694293 /nfs/dbraw/zinc/69/42/93/419694293.db2.gz XAQUPDSBKHADQU-RYUDHWBXSA-N 3 2 256.394 -0.134 20 0 CBADLP CCC[N@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000662704232 419694300 /nfs/dbraw/zinc/69/43/00/419694300.db2.gz XAQUPDSBKHADQU-RYUDHWBXSA-N 3 2 256.394 -0.134 20 0 CBADLP [NH3+][C@@H]1CCC[C@H](NC(=O)NCC[NH+]2CCOCC2)C1 ZINC000416431660 544591094 /nfs/dbraw/zinc/59/10/94/544591094.db2.gz CBFLSPDGKZTKIP-NEPJUHHUSA-N 2 2 270.377 -0.112 20 0 CBADLP CC1(C)C[N@H+](CCNC(=O)[C@H]2CCO[C@H]2C[NH3+])CCO1 ZINC000662702084 419694889 /nfs/dbraw/zinc/69/48/89/419694889.db2.gz XCDPINSIJXYBJO-RYUDHWBXSA-N 2 2 285.388 -0.423 20 0 CBADLP CC1(C)C[N@@H+](CCNC(=O)[C@H]2CCO[C@H]2C[NH3+])CCO1 ZINC000662702084 419694891 /nfs/dbraw/zinc/69/48/91/419694891.db2.gz XCDPINSIJXYBJO-RYUDHWBXSA-N 2 2 285.388 -0.423 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000662714597 419696881 /nfs/dbraw/zinc/69/68/81/419696881.db2.gz JJNDSYBRBRRJDF-UTUOFQBUSA-N 2 2 271.361 -0.813 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000662714597 419696889 /nfs/dbraw/zinc/69/68/89/419696889.db2.gz JJNDSYBRBRRJDF-UTUOFQBUSA-N 2 2 271.361 -0.813 20 0 CBADLP CNC(=O)[C@H]1CCC[N@@H+]1C[C@H](O)C[NH+](C)C(C)C ZINC000647960621 419697201 /nfs/dbraw/zinc/69/72/01/419697201.db2.gz AFDQBVZHBBFJIW-VXGBXAGGSA-N 2 2 257.378 -0.102 20 0 CBADLP CNC(=O)[C@H]1CCC[N@H+]1C[C@H](O)C[NH+](C)C(C)C ZINC000647960621 419697208 /nfs/dbraw/zinc/69/72/08/419697208.db2.gz AFDQBVZHBBFJIW-VXGBXAGGSA-N 2 2 257.378 -0.102 20 0 CBADLP CNC(=O)[C@H]1CCC[NH+]1C[C@H](O)C[N@H+](C)C(C)C ZINC000647960621 419697215 /nfs/dbraw/zinc/69/72/15/419697215.db2.gz AFDQBVZHBBFJIW-VXGBXAGGSA-N 2 2 257.378 -0.102 20 0 CBADLP CNC(=O)[C@H]1CCC[NH+]1C[C@H](O)C[N@@H+](C)C(C)C ZINC000647960621 419697223 /nfs/dbraw/zinc/69/72/23/419697223.db2.gz AFDQBVZHBBFJIW-VXGBXAGGSA-N 2 2 257.378 -0.102 20 0 CBADLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000662715504 419697680 /nfs/dbraw/zinc/69/76/80/419697680.db2.gz UDYLCNMNMCSOAN-RYUDHWBXSA-N 2 2 285.388 -0.423 20 0 CBADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000662715504 419697686 /nfs/dbraw/zinc/69/76/86/419697686.db2.gz UDYLCNMNMCSOAN-RYUDHWBXSA-N 2 2 285.388 -0.423 20 0 CBADLP CC(C)(C)[C@H](C[NH3+])[NH2+]CCC(=O)N1CC[NH2+]CC1 ZINC000647988046 419701762 /nfs/dbraw/zinc/70/17/62/419701762.db2.gz IQRAWPFOVDUHSI-NSHDSACASA-N 3 2 256.394 -0.229 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000647973982 419702195 /nfs/dbraw/zinc/70/21/95/419702195.db2.gz OCYIPJRHQQXLPS-KGLIPLIRSA-N 3 2 280.416 -0.166 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000647973982 419702201 /nfs/dbraw/zinc/70/22/01/419702201.db2.gz OCYIPJRHQQXLPS-KGLIPLIRSA-N 3 2 280.416 -0.166 20 0 CBADLP [NH3+][C@H]1C[C@H](C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000662728471 419703306 /nfs/dbraw/zinc/70/33/06/419703306.db2.gz RSLAKUQWRIXYIE-TXEJJXNPSA-N 2 2 293.371 -0.109 20 0 CBADLP C[C@H](NC(=O)C[N@H+](C)C1CC([NH3+])C1)C(=O)N(C)C ZINC000647982802 419703916 /nfs/dbraw/zinc/70/39/16/419703916.db2.gz LXYMGZZAZUQEMA-IDKOKCKLSA-N 2 2 256.350 -0.999 20 0 CBADLP C[C@H](NC(=O)C[N@@H+](C)C1CC([NH3+])C1)C(=O)N(C)C ZINC000647982802 419703920 /nfs/dbraw/zinc/70/39/20/419703920.db2.gz LXYMGZZAZUQEMA-IDKOKCKLSA-N 2 2 256.350 -0.999 20 0 CBADLP C[C@H](NC(=O)[C@@H]1CCO[C@@H]1C[NH3+])[C@H](C)[NH+]1CCOCC1 ZINC000662721313 419704468 /nfs/dbraw/zinc/70/44/68/419704468.db2.gz UCLKCWKFOYKAPH-WUHRBBMRSA-N 2 2 285.388 -0.424 20 0 CBADLP O=C(CC[N@@H+]1CC[C@@H]2CC[NH2+][C@H]2C1)N1CC[NH2+]CC1 ZINC000647987652 419705799 /nfs/dbraw/zinc/70/57/99/419705799.db2.gz NUICXOQVMMYUQF-STQMWFEESA-N 3 2 266.389 -0.508 20 0 CBADLP O=C(CC[N@H+]1CC[C@@H]2CC[NH2+][C@H]2C1)N1CC[NH2+]CC1 ZINC000647987652 419705803 /nfs/dbraw/zinc/70/58/03/419705803.db2.gz NUICXOQVMMYUQF-STQMWFEESA-N 3 2 266.389 -0.508 20 0 CBADLP CO[C@@]1(CO)CCC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000401973514 544586731 /nfs/dbraw/zinc/58/67/31/544586731.db2.gz QBLMNOIHDYVBDD-AWEZNQCLSA-N 2 2 285.388 -0.766 20 0 CBADLP CO[C@@]1(CO)CCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000401973514 544586733 /nfs/dbraw/zinc/58/67/33/544586733.db2.gz QBLMNOIHDYVBDD-AWEZNQCLSA-N 2 2 285.388 -0.766 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N(C)CC(C)(C)[NH3+] ZINC000662605629 419651044 /nfs/dbraw/zinc/65/10/44/419651044.db2.gz PKHVIZNFNHDIOL-UHFFFAOYSA-N 2 2 272.393 -0.362 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N(C)CC(C)(C)[NH3+] ZINC000662605629 419651053 /nfs/dbraw/zinc/65/10/53/419651053.db2.gz PKHVIZNFNHDIOL-UHFFFAOYSA-N 2 2 272.393 -0.362 20 0 CBADLP C[C@@H](CCCCNC(=O)C[NH+](C)C)NC(=O)C[NH+](C)C ZINC000647776971 419655498 /nfs/dbraw/zinc/65/54/98/419655498.db2.gz JKOHKOVFULUJBY-LBPRGKRZSA-N 2 2 286.420 -0.099 20 0 CBADLP C[C@H]1[NH2+]CC[C@H]1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000662632678 419657738 /nfs/dbraw/zinc/65/77/38/419657738.db2.gz SQYVUVDOSVAVSK-CHWSQXEVSA-N 3 2 270.421 -0.016 20 0 CBADLP C[C@H]1[NH2+]CC[C@H]1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000662632678 419657740 /nfs/dbraw/zinc/65/77/40/419657740.db2.gz SQYVUVDOSVAVSK-CHWSQXEVSA-N 3 2 270.421 -0.016 20 0 CBADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)C1(C)C[NH2+]C1 ZINC000662634950 419658086 /nfs/dbraw/zinc/65/80/86/419658086.db2.gz SWXCJRZNCOVSIK-MNOVXSKESA-N 2 2 255.362 -0.179 20 0 CBADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)C1(C)C[NH2+]C1 ZINC000662634950 419658090 /nfs/dbraw/zinc/65/80/90/419658090.db2.gz SWXCJRZNCOVSIK-MNOVXSKESA-N 2 2 255.362 -0.179 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)COCC[NH3+])[C@H](C)CO1 ZINC000662629743 419658679 /nfs/dbraw/zinc/65/86/79/419658679.db2.gz HBBKRCXVKLZRLW-GHMZBOCLSA-N 2 2 259.350 -0.813 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)COCC[NH3+])[C@H](C)CO1 ZINC000662629743 419658685 /nfs/dbraw/zinc/65/86/85/419658685.db2.gz HBBKRCXVKLZRLW-GHMZBOCLSA-N 2 2 259.350 -0.813 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H](N)C(F)(F)F ZINC000662633265 419659802 /nfs/dbraw/zinc/65/98/02/419659802.db2.gz YIRDRRYOEMOEQY-SECBINFHSA-N 2 2 284.326 -0.124 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H](N)C(F)(F)F ZINC000662633265 419659805 /nfs/dbraw/zinc/65/98/05/419659805.db2.gz YIRDRRYOEMOEQY-SECBINFHSA-N 2 2 284.326 -0.124 20 0 CBADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)[C@H]1CSC[NH2+]1 ZINC000662859283 419750982 /nfs/dbraw/zinc/75/09/82/419750982.db2.gz MGLNQCQXCQISAQ-OUAUKWLOSA-N 2 2 273.402 -0.126 20 0 CBADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)[C@H]1CSC[NH2+]1 ZINC000662859283 419750990 /nfs/dbraw/zinc/75/09/90/419750990.db2.gz MGLNQCQXCQISAQ-OUAUKWLOSA-N 2 2 273.402 -0.126 20 0 CBADLP COC1(C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)CC[NH2+]CC1 ZINC000662858756 419751342 /nfs/dbraw/zinc/75/13/42/419751342.db2.gz HVFBCMRGGICRFX-QWHCGFSZSA-N 2 2 299.415 -0.020 20 0 CBADLP COC1(C(=O)NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)CC[NH2+]CC1 ZINC000662858756 419751346 /nfs/dbraw/zinc/75/13/46/419751346.db2.gz HVFBCMRGGICRFX-QWHCGFSZSA-N 2 2 299.415 -0.020 20 0 CBADLP COC1(C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)CC[NH2+]CC1 ZINC000662858752 419752692 /nfs/dbraw/zinc/75/26/92/419752692.db2.gz HVFBCMRGGICRFX-CHWSQXEVSA-N 2 2 299.415 -0.020 20 0 CBADLP COC1(C(=O)NCC[N@H+]2C[C@@H](C)OC[C@H]2C)CC[NH2+]CC1 ZINC000662858752 419752700 /nfs/dbraw/zinc/75/27/00/419752700.db2.gz HVFBCMRGGICRFX-CHWSQXEVSA-N 2 2 299.415 -0.020 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000430883989 544592622 /nfs/dbraw/zinc/59/26/22/544592622.db2.gz SYOSVDVOCHAOAE-UTUOFQBUSA-N 2 2 255.362 -0.049 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000430883989 544592625 /nfs/dbraw/zinc/59/26/25/544592625.db2.gz SYOSVDVOCHAOAE-UTUOFQBUSA-N 2 2 255.362 -0.049 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)COC1(C)C[NH2+]C1 ZINC000648152322 419758058 /nfs/dbraw/zinc/75/80/58/419758058.db2.gz NJYUGWNQRRCQQO-UHFFFAOYSA-N 2 2 271.361 -0.845 20 0 CBADLP [NH3+]C[C@@H]1OCC[C@H]1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000662870313 419758345 /nfs/dbraw/zinc/75/83/45/419758345.db2.gz CVWTWVGDLKSIHN-UPJWGTAASA-N 2 2 283.372 -0.717 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC000662918246 419773933 /nfs/dbraw/zinc/77/39/33/419773933.db2.gz ATBVHSJSVMXIFS-UHFFFAOYSA-N 2 2 280.372 -0.900 20 0 CBADLP C[C@@H](NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)c1[nH+]ccn1C ZINC000662932799 419781762 /nfs/dbraw/zinc/78/17/62/419781762.db2.gz GFTXFFUDUXBVKY-MNOVXSKESA-N 2 2 293.371 -0.144 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CCCC2(CCC[N@@H+]([C@@H](C)C(N)=O)C2)C1 ZINC000352018798 419824504 /nfs/dbraw/zinc/82/45/04/419824504.db2.gz SISMSMWUXYGODI-GYZKLXCISA-N 2 2 296.415 -0.088 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CCCC2(CCC[N@H+]([C@@H](C)C(N)=O)C2)C1 ZINC000352018798 419824511 /nfs/dbraw/zinc/82/45/11/419824511.db2.gz SISMSMWUXYGODI-GYZKLXCISA-N 2 2 296.415 -0.088 20 0 CBADLP CC(C)N1CC[C@H]([NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)C1=O ZINC000352519319 419830484 /nfs/dbraw/zinc/83/04/84/419830484.db2.gz NUHKLIWBXUZGBJ-KGLIPLIRSA-N 2 2 280.416 -0.025 20 0 CBADLP CCCN1CC[C@@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)C1 ZINC000663366569 419835109 /nfs/dbraw/zinc/83/51/09/419835109.db2.gz WQBBBRODBZYZSI-HUUCEWRRSA-N 2 2 284.448 -0.331 20 0 CBADLP CC[NH+]1CCN(C(=O)CNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC000649225171 419855322 /nfs/dbraw/zinc/85/53/22/419855322.db2.gz AXTDFCCQIDSJNK-CYBMUJFWSA-N 2 2 296.415 -0.249 20 0 CBADLP CC[NH+]1CCN(C(=O)CNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000649225171 419855330 /nfs/dbraw/zinc/85/53/30/419855330.db2.gz AXTDFCCQIDSJNK-CYBMUJFWSA-N 2 2 296.415 -0.249 20 0 CBADLP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000662947502 419790747 /nfs/dbraw/zinc/79/07/47/419790747.db2.gz RNQRNPLHMFCVMR-LLVKDONJSA-N 2 2 279.344 -0.422 20 0 CBADLP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000662947502 419790755 /nfs/dbraw/zinc/79/07/55/419790755.db2.gz RNQRNPLHMFCVMR-LLVKDONJSA-N 2 2 279.344 -0.422 20 0 CBADLP CCOC[C@@H](O)C[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000355379750 419868342 /nfs/dbraw/zinc/86/83/42/419868342.db2.gz FYETVKHMDSPRFR-ZDUSSCGKSA-N 2 2 260.378 -0.228 20 0 CBADLP CCOC[C@@H](O)C[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000355379750 419868349 /nfs/dbraw/zinc/86/83/49/419868349.db2.gz FYETVKHMDSPRFR-ZDUSSCGKSA-N 2 2 260.378 -0.228 20 0 CBADLP C[C@@H]([NH2+]C1CC1)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000649312514 419877154 /nfs/dbraw/zinc/87/71/54/419877154.db2.gz VVAIUFXWLPZGBB-WDEREUQCSA-N 2 2 255.362 -0.036 20 0 CBADLP C[C@@H]([NH2+]C1CC1)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000649312514 419877158 /nfs/dbraw/zinc/87/71/58/419877158.db2.gz VVAIUFXWLPZGBB-WDEREUQCSA-N 2 2 255.362 -0.036 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649320685 419882107 /nfs/dbraw/zinc/88/21/07/419882107.db2.gz WPRSBSGVFHGWEK-KKOKHZNYSA-N 2 2 253.346 -0.426 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649320685 419882114 /nfs/dbraw/zinc/88/21/14/419882114.db2.gz WPRSBSGVFHGWEK-KKOKHZNYSA-N 2 2 253.346 -0.426 20 0 CBADLP CC1(OCC(=O)NCC[N@@H+]2CCOCC2(C)C)C[NH2+]C1 ZINC000649320614 419882595 /nfs/dbraw/zinc/88/25/95/419882595.db2.gz PRVWSXSSBCIIJI-UHFFFAOYSA-N 2 2 285.388 -0.408 20 0 CBADLP CC1(OCC(=O)NCC[N@H+]2CCOCC2(C)C)C[NH2+]C1 ZINC000649320614 419882598 /nfs/dbraw/zinc/88/25/98/419882598.db2.gz PRVWSXSSBCIIJI-UHFFFAOYSA-N 2 2 285.388 -0.408 20 0 CBADLP O=C([C@H]1CSC[NH2+]1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000649321352 419885123 /nfs/dbraw/zinc/88/51/23/419885123.db2.gz VAMACHVMIQIOTK-UTUOFQBUSA-N 2 2 285.413 -0.294 20 0 CBADLP C[C@H]([C@H](C)NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)[NH+]1CCOCC1 ZINC000649323293 419886509 /nfs/dbraw/zinc/88/65/09/419886509.db2.gz SXEMNPPNMPKVFK-OBPIAQAESA-N 2 2 267.373 -0.323 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)C2)CC1 ZINC000649334114 419894614 /nfs/dbraw/zinc/89/46/14/419894614.db2.gz KXOKPDMZWHAFNB-RZFFKMDDSA-N 3 2 292.427 -0.264 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)C2)CC1 ZINC000649334114 419894616 /nfs/dbraw/zinc/89/46/16/419894616.db2.gz KXOKPDMZWHAFNB-RZFFKMDDSA-N 3 2 292.427 -0.264 20 0 CBADLP COCCN1CC[C@H]([NH2+]C[C@]2(O)CC[N@H+](C)C2)C1 ZINC000358119595 419895331 /nfs/dbraw/zinc/89/53/31/419895331.db2.gz OTUMBMNBRRBMEU-QWHCGFSZSA-N 2 2 257.378 -0.637 20 0 CBADLP COCCN1CC[C@H]([NH2+]C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC000358119595 419895336 /nfs/dbraw/zinc/89/53/36/419895336.db2.gz OTUMBMNBRRBMEU-QWHCGFSZSA-N 2 2 257.378 -0.637 20 0 CBADLP Cc1nc(NC[C@@]2(O)CC[N@H+](C)C2)nc(N(C)C)[nH+]1 ZINC000358308507 419895385 /nfs/dbraw/zinc/89/53/85/419895385.db2.gz PAOVEBJFFCHQRC-LBPRGKRZSA-N 2 2 266.349 -0.275 20 0 CBADLP Cc1nc(NC[C@@]2(O)CC[N@@H+](C)C2)nc(N(C)C)[nH+]1 ZINC000358308507 419895391 /nfs/dbraw/zinc/89/53/91/419895391.db2.gz PAOVEBJFFCHQRC-LBPRGKRZSA-N 2 2 266.349 -0.275 20 0 CBADLP Cc1nc(N(C)C)nc(NC[C@@]2(O)CC[N@H+](C)C2)[nH+]1 ZINC000358308507 419895395 /nfs/dbraw/zinc/89/53/95/419895395.db2.gz PAOVEBJFFCHQRC-LBPRGKRZSA-N 2 2 266.349 -0.275 20 0 CBADLP Cc1nc(N(C)C)nc(NC[C@@]2(O)CC[N@@H+](C)C2)[nH+]1 ZINC000358308507 419895397 /nfs/dbraw/zinc/89/53/97/419895397.db2.gz PAOVEBJFFCHQRC-LBPRGKRZSA-N 2 2 266.349 -0.275 20 0 CBADLP C[C@H]1C[N@H+](CCO)CCN1c1nc[nH+]c2c1OCCN2 ZINC000665722728 544614024 /nfs/dbraw/zinc/61/40/24/544614024.db2.gz OYJOZVXQLKTUBI-JTQLQIEISA-N 2 2 279.344 -0.216 20 0 CBADLP C[C@H]1C[N@@H+](CCO)CCN1c1nc[nH+]c2c1OCCN2 ZINC000665722728 544614028 /nfs/dbraw/zinc/61/40/28/544614028.db2.gz OYJOZVXQLKTUBI-JTQLQIEISA-N 2 2 279.344 -0.216 20 0 CBADLP C[N@@H+]1CCO[C@@H]2CN(c3nc[nH+]c4c3OCCN4)C[C@@H]21 ZINC000665742309 544615240 /nfs/dbraw/zinc/61/52/40/544615240.db2.gz YNPCRQFTQKAIFI-VHSXEESVSA-N 2 2 277.328 -0.200 20 0 CBADLP C[N@H+]1CCO[C@@H]2CN(c3nc[nH+]c4c3OCCN4)C[C@@H]21 ZINC000665742309 544615241 /nfs/dbraw/zinc/61/52/41/544615241.db2.gz YNPCRQFTQKAIFI-VHSXEESVSA-N 2 2 277.328 -0.200 20 0 CBADLP C[C@@H](C[NH+](C)C)NC(=O)N(C)CC[NH+]1CCOCC1 ZINC000358535757 419902453 /nfs/dbraw/zinc/90/24/53/419902453.db2.gz XVBATMXRSDNBHN-LBPRGKRZSA-N 2 2 272.393 -0.090 20 0 CBADLP NC(=O)c1ccc(N2CC[NH+](C[C@H]3CC[NH2+]C3)CC2)nc1 ZINC000649411548 419908751 /nfs/dbraw/zinc/90/87/51/419908751.db2.gz DMYLPJTYFOFRNS-LBPRGKRZSA-N 2 2 289.383 -0.088 20 0 CBADLP CC(C)NC(=O)CN1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000649411047 419910514 /nfs/dbraw/zinc/91/05/14/419910514.db2.gz JHDBUHKTFYNUMT-ZDUSSCGKSA-N 2 2 268.405 -0.262 20 0 CBADLP CC(C)NC(=O)C[NH+]1CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000649411047 419910519 /nfs/dbraw/zinc/91/05/19/419910519.db2.gz JHDBUHKTFYNUMT-ZDUSSCGKSA-N 2 2 268.405 -0.262 20 0 CBADLP CN(Cc1cnn(C)c1)C(=O)C[N@H+](C)C1CC([NH3+])C1 ZINC000649418167 419910670 /nfs/dbraw/zinc/91/06/70/419910670.db2.gz AJFOONOMGZNVDI-UHFFFAOYSA-N 2 2 265.361 -0.200 20 0 CBADLP CN(Cc1cnn(C)c1)C(=O)C[N@@H+](C)C1CC([NH3+])C1 ZINC000649418167 419910674 /nfs/dbraw/zinc/91/06/74/419910674.db2.gz AJFOONOMGZNVDI-UHFFFAOYSA-N 2 2 265.361 -0.200 20 0 CBADLP Cn1cc(CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)nn1 ZINC000664632172 419912951 /nfs/dbraw/zinc/91/29/51/419912951.db2.gz VIBXKFWLWUHTFA-UHFFFAOYSA-N 2 2 297.407 -0.502 20 0 CBADLP Cn1cc(CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)nn1 ZINC000664632172 419912956 /nfs/dbraw/zinc/91/29/56/419912956.db2.gz VIBXKFWLWUHTFA-UHFFFAOYSA-N 2 2 297.407 -0.502 20 0 CBADLP C[C@@H]1C[C@@H](C(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)CC[NH2+]1 ZINC000358693768 419913100 /nfs/dbraw/zinc/91/31/00/419913100.db2.gz QUUJUTQONCUFLU-NEPJUHHUSA-N 2 2 296.415 -0.217 20 0 CBADLP C[N@@H+]1CCC[C@@H]1CN1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000649475282 419914944 /nfs/dbraw/zinc/91/49/44/419914944.db2.gz VURRPTFIGHNMMC-CQSZACIVSA-N 2 2 280.416 -0.023 20 0 CBADLP C[N@H+]1CCC[C@@H]1CN1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000649475282 419914949 /nfs/dbraw/zinc/91/49/49/419914949.db2.gz VURRPTFIGHNMMC-CQSZACIVSA-N 2 2 280.416 -0.023 20 0 CBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CC(=O)N1 ZINC000668690654 544716876 /nfs/dbraw/zinc/71/68/76/544716876.db2.gz XOZSDSDWHIYRFL-GFCCVEGCSA-N 2 2 282.388 -0.641 20 0 CBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CC(=O)N1 ZINC000668690654 544716880 /nfs/dbraw/zinc/71/68/80/544716880.db2.gz XOZSDSDWHIYRFL-GFCCVEGCSA-N 2 2 282.388 -0.641 20 0 CBADLP C[C@H](C(=O)NCCC[NH+](C)C)[NH+]1CCN(C)CC1 ZINC000358805457 419921845 /nfs/dbraw/zinc/92/18/45/419921845.db2.gz XBQRBVXOQVWVBH-GFCCVEGCSA-N 2 2 256.394 -0.310 20 0 CBADLP CCNC(=O)C[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000669927701 544768015 /nfs/dbraw/zinc/76/80/15/544768015.db2.gz CPEIYRKZPJTUNN-UHFFFAOYSA-N 2 2 270.377 -0.782 20 0 CBADLP CCNC(=O)C[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000669927701 544768019 /nfs/dbraw/zinc/76/80/19/544768019.db2.gz CPEIYRKZPJTUNN-UHFFFAOYSA-N 2 2 270.377 -0.782 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000671153108 544806500 /nfs/dbraw/zinc/80/65/00/544806500.db2.gz HUDLVHMJCONRCL-RYUDHWBXSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000671153108 544806505 /nfs/dbraw/zinc/80/65/05/544806505.db2.gz HUDLVHMJCONRCL-RYUDHWBXSA-N 2 2 293.371 -0.402 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NC[C@@H]1CNC(=O)C1 ZINC000665129525 419933930 /nfs/dbraw/zinc/93/39/30/419933930.db2.gz VMAFYGMISXMXON-LBPRGKRZSA-N 2 2 299.419 -0.695 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NC[C@@H]1CNC(=O)C1 ZINC000665129525 419933936 /nfs/dbraw/zinc/93/39/36/419933936.db2.gz VMAFYGMISXMXON-LBPRGKRZSA-N 2 2 299.419 -0.695 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649685548 419925943 /nfs/dbraw/zinc/92/59/43/419925943.db2.gz DDHDVNGXOUUENM-CQSZACIVSA-N 2 2 298.431 -0.587 20 0 CBADLP C[C@H](CN1CCOCC1)[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649685548 419925949 /nfs/dbraw/zinc/92/59/49/419925949.db2.gz DDHDVNGXOUUENM-CQSZACIVSA-N 2 2 298.431 -0.587 20 0 CBADLP C[C@H](CN1CCOCC1)[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649685548 419925953 /nfs/dbraw/zinc/92/59/53/419925953.db2.gz DDHDVNGXOUUENM-CQSZACIVSA-N 2 2 298.431 -0.587 20 0 CBADLP Cn1ccc(C[N@@H+]2CCN(CC[NH+](C)C)C(=O)C2)cc1=O ZINC000649687851 419926472 /nfs/dbraw/zinc/92/64/72/419926472.db2.gz ICMXIVJWBVZZGF-UHFFFAOYSA-N 2 2 292.383 -0.409 20 0 CBADLP Cn1ccc(C[N@H+]2CCN(CC[NH+](C)C)C(=O)C2)cc1=O ZINC000649687851 419926476 /nfs/dbraw/zinc/92/64/76/419926476.db2.gz ICMXIVJWBVZZGF-UHFFFAOYSA-N 2 2 292.383 -0.409 20 0 CBADLP C[NH+](C)CCN1CC[N@H+](C[C@@H]2CCCO2)CC1=O ZINC000649688546 419926947 /nfs/dbraw/zinc/92/69/47/419926947.db2.gz GXJMYUHHBJLTLI-LBPRGKRZSA-N 2 2 255.362 -0.129 20 0 CBADLP C[NH+](C)CCN1CC[N@@H+](C[C@@H]2CCCO2)CC1=O ZINC000649688546 419926951 /nfs/dbraw/zinc/92/69/51/419926951.db2.gz GXJMYUHHBJLTLI-LBPRGKRZSA-N 2 2 255.362 -0.129 20 0 CBADLP C[NH+](C)CCN1CC[N@H+](CCCn2cc[nH+]c2)CC1=O ZINC000649685544 419927032 /nfs/dbraw/zinc/92/70/32/419927032.db2.gz DAKRNFWVOIDEHB-UHFFFAOYSA-N 3 2 279.388 -0.021 20 0 CBADLP C[NH+](C)CCN1CC[N@@H+](CCCn2cc[nH+]c2)CC1=O ZINC000649685544 419927035 /nfs/dbraw/zinc/92/70/35/419927035.db2.gz DAKRNFWVOIDEHB-UHFFFAOYSA-N 3 2 279.388 -0.021 20 0 CBADLP C[NH+](C)CCN1CC[N@H+](CCCn2ccnc2)CC1=O ZINC000649685544 419927038 /nfs/dbraw/zinc/92/70/38/419927038.db2.gz DAKRNFWVOIDEHB-UHFFFAOYSA-N 2 2 279.388 -0.021 20 0 CBADLP C[NH+](C)CCN1CC[N@@H+](CCCn2ccnc2)CC1=O ZINC000649685544 419927040 /nfs/dbraw/zinc/92/70/40/419927040.db2.gz DAKRNFWVOIDEHB-UHFFFAOYSA-N 2 2 279.388 -0.021 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H](CO)C2CCOCC2)CC1 ZINC000359894538 419993162 /nfs/dbraw/zinc/99/31/62/419993162.db2.gz MOWQVZRDPRLMSJ-ZDUSSCGKSA-N 2 2 285.388 -0.863 20 0 CBADLP O=C1CC[C@@H](C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)N1 ZINC000665272716 419938640 /nfs/dbraw/zinc/93/86/40/419938640.db2.gz JRJUEALHVABCBJ-DMDPSCGWSA-N 2 2 253.346 -0.378 20 0 CBADLP [NH3+]Cc1cc(=O)[nH]c(C[NH2+][C@H]2CCC[C@H]2C[NH3+])n1 ZINC000665295021 419938730 /nfs/dbraw/zinc/93/87/30/419938730.db2.gz ZRNZEDWNKYYWBZ-WPRPVWTQSA-N 3 2 251.334 -0.142 20 0 CBADLP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359313310 419960167 /nfs/dbraw/zinc/96/01/67/419960167.db2.gz VTAGSNIZIONROA-LPWJVIDDSA-N 2 2 294.399 -0.750 20 0 CBADLP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359313310 419960172 /nfs/dbraw/zinc/96/01/72/419960172.db2.gz VTAGSNIZIONROA-LPWJVIDDSA-N 2 2 294.399 -0.750 20 0 CBADLP C[C@@H]1CCC[N@H+](Cc2cn(CC(N)=O)nn2)[C@H]1CC[NH3+] ZINC000650711881 419967320 /nfs/dbraw/zinc/96/73/20/419967320.db2.gz HEMSEZNGYSHLES-PWSUYJOCSA-N 2 2 280.376 -0.287 20 0 CBADLP C[C@@H]1CCC[N@@H+](Cc2cn(CC(N)=O)nn2)[C@H]1CC[NH3+] ZINC000650711881 419967327 /nfs/dbraw/zinc/96/73/27/419967327.db2.gz HEMSEZNGYSHLES-PWSUYJOCSA-N 2 2 280.376 -0.287 20 0 CBADLP CC[N@H+]1C[C@H]([NH2+]CCCNS(C)(=O)=O)[C@@H](C)C1 ZINC000359684030 419979859 /nfs/dbraw/zinc/97/98/59/419979859.db2.gz YZZURLCVAHHXFY-QWRGUYRKSA-N 2 2 263.407 -0.145 20 0 CBADLP CC[N@@H+]1C[C@H]([NH2+]CCCNS(C)(=O)=O)[C@@H](C)C1 ZINC000359684030 419979861 /nfs/dbraw/zinc/97/98/61/419979861.db2.gz YZZURLCVAHHXFY-QWRGUYRKSA-N 2 2 263.407 -0.145 20 0 CBADLP CCC[N@H+](C)CC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000359807062 419989783 /nfs/dbraw/zinc/98/97/83/419989783.db2.gz RGQIBRSDACEUKU-CQSZACIVSA-N 2 2 287.404 -0.472 20 0 CBADLP CCC[N@@H+](C)CC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000359807062 419989788 /nfs/dbraw/zinc/98/97/88/419989788.db2.gz RGQIBRSDACEUKU-CQSZACIVSA-N 2 2 287.404 -0.472 20 0 CBADLP CC[NH+]1CCN(CC(=O)N(C)CC[NH+]2CCOCC2)CC1 ZINC000360136947 420005392 /nfs/dbraw/zinc/00/53/92/420005392.db2.gz QVHHIZNARNIVRX-UHFFFAOYSA-N 2 2 298.431 -0.586 20 0 CBADLP Cn1c[nH+]cc1CNC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000360119741 420005506 /nfs/dbraw/zinc/00/55/06/420005506.db2.gz QJPQUKROPIPALO-LBPRGKRZSA-N 2 2 269.349 -0.468 20 0 CBADLP CC[NH+]1CCN(CC(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000360176880 420007968 /nfs/dbraw/zinc/00/79/68/420007968.db2.gz YQTZKEMQXTURAH-UHFFFAOYSA-N 2 2 298.431 -0.538 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1CSC[NH2+]1)N1CC[NH+](C)CC1 ZINC000360170039 420008199 /nfs/dbraw/zinc/00/81/99/420008199.db2.gz LTKYEILEKNDLGF-QWRGUYRKSA-N 2 2 272.418 -0.599 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1CSC[NH2+]1)N1CC[NH+](C)CC1 ZINC000360170038 420008397 /nfs/dbraw/zinc/00/83/97/420008397.db2.gz LTKYEILEKNDLGF-MNOVXSKESA-N 2 2 272.418 -0.599 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)N1CC[NH+](C)CC1 ZINC000360225920 420011944 /nfs/dbraw/zinc/01/19/44/420011944.db2.gz SZPRYMOXAXPWNT-OLZOCXBDSA-N 2 2 284.404 -0.931 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@H](C)N2CC[NH+](C)CC2)C1 ZINC000360223928 420011976 /nfs/dbraw/zinc/01/19/76/420011976.db2.gz CTTYVLOERNKSRD-KBPBESRZSA-N 2 2 298.431 -0.541 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)N1CC[NH+](C)CC1 ZINC000360225922 420012088 /nfs/dbraw/zinc/01/20/88/420012088.db2.gz SZPRYMOXAXPWNT-STQMWFEESA-N 2 2 284.404 -0.931 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](C)N2CC[NH+](C)CC2)C1 ZINC000360223930 420012358 /nfs/dbraw/zinc/01/23/58/420012358.db2.gz CTTYVLOERNKSRD-UONOGXRCSA-N 2 2 298.431 -0.541 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000364209565 420031931 /nfs/dbraw/zinc/03/19/31/420031931.db2.gz CGXVKHFEYFSBNG-MBNYWOFBSA-N 2 2 267.373 -0.177 20 0 CBADLP C[N@@H+]1CC[C@](O)(CNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000651736235 420032298 /nfs/dbraw/zinc/03/22/98/420032298.db2.gz QZJNWGGWGGRCCQ-HNNXBMFYSA-N 2 2 292.383 -0.055 20 0 CBADLP C[N@H+]1CC[C@](O)(CNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000651736235 420032301 /nfs/dbraw/zinc/03/23/01/420032301.db2.gz QZJNWGGWGGRCCQ-HNNXBMFYSA-N 2 2 292.383 -0.055 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2C[C@H](O)C3(CC3)C2)CC1 ZINC000364312234 420035574 /nfs/dbraw/zinc/03/55/74/420035574.db2.gz BNLDSRBMDDFJIW-STQMWFEESA-N 2 2 281.400 -0.004 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2C[C@H](O)C3(CC3)C2)CC1 ZINC000364312234 420035579 /nfs/dbraw/zinc/03/55/79/420035579.db2.gz BNLDSRBMDDFJIW-STQMWFEESA-N 2 2 281.400 -0.004 20 0 CBADLP COCCOCC[NH+]1CCN(C(=O)NCCC[NH3+])CC1 ZINC000652203531 420050744 /nfs/dbraw/zinc/05/07/44/420050744.db2.gz PKHVNWPOHIJBPR-UHFFFAOYSA-N 2 2 288.392 -0.675 20 0 CBADLP C[NH2+]CCNC(=O)N1CC[NH+](CCOCCOC)CC1 ZINC000652204191 420051163 /nfs/dbraw/zinc/05/11/63/420051163.db2.gz IUQCAQIOYAEHNH-UHFFFAOYSA-N 2 2 288.392 -0.804 20 0 CBADLP C[C@@H](C(=O)NC[C@@]1([NH+]2CCOCC2)CCCOC1)[C@H](C)[NH3+] ZINC000365185136 420056122 /nfs/dbraw/zinc/05/61/22/420056122.db2.gz UHMWPGZGYYSVDY-IPYPFGDCSA-N 2 2 299.415 -0.033 20 0 CBADLP CCn1nc2c(cc1=O)C[N@@H+](C[C@@](C)(O)C[NH2+]C)CC2 ZINC000652338509 420056951 /nfs/dbraw/zinc/05/69/51/420056951.db2.gz MXQLRYBIYFLMSD-AWEZNQCLSA-N 2 2 280.372 -0.408 20 0 CBADLP CCn1nc2c(cc1=O)C[N@H+](C[C@@](C)(O)C[NH2+]C)CC2 ZINC000652338509 420056954 /nfs/dbraw/zinc/05/69/54/420056954.db2.gz MXQLRYBIYFLMSD-AWEZNQCLSA-N 2 2 280.372 -0.408 20 0 CBADLP C[C@@H](NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1)C(=O)N(C)C ZINC000652351962 420058786 /nfs/dbraw/zinc/05/87/86/420058786.db2.gz OARUSRYTRQSOJY-XUJVJEKNSA-N 2 2 296.415 -0.360 20 0 CBADLP C[C@@H](NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1)C(=O)N(C)C ZINC000652351962 420058790 /nfs/dbraw/zinc/05/87/90/420058790.db2.gz OARUSRYTRQSOJY-XUJVJEKNSA-N 2 2 296.415 -0.360 20 0 CBADLP CCO[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC[C@H]2CCCO2)C[C@H]1C[NH3+] ZINC000652358255 420059530 /nfs/dbraw/zinc/05/95/30/420059530.db2.gz OWOFTJMFZXBRJD-REWJHTLYSA-N 2 2 299.415 -0.034 20 0 CBADLP CCO[C@@H]1C[N@H+]([C@@H](C)C(=O)NC[C@H]2CCCO2)C[C@H]1C[NH3+] ZINC000652358255 420059533 /nfs/dbraw/zinc/05/95/33/420059533.db2.gz OWOFTJMFZXBRJD-REWJHTLYSA-N 2 2 299.415 -0.034 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000652890465 420095077 /nfs/dbraw/zinc/09/50/77/420095077.db2.gz AAKPMMIDWDSUCL-TZMCWYRMSA-N 2 2 297.399 -0.768 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000652890465 420095082 /nfs/dbraw/zinc/09/50/82/420095082.db2.gz AAKPMMIDWDSUCL-TZMCWYRMSA-N 2 2 297.399 -0.768 20 0 CBADLP O=C(C[N@@H+]1CCc2sccc2C1)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000367476990 420108889 /nfs/dbraw/zinc/10/88/89/420108889.db2.gz LRGXNGSUDFAXII-NWDGAFQWSA-N 2 2 295.408 -0.197 20 0 CBADLP O=C(C[N@H+]1CCc2sccc2C1)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000367476990 420108894 /nfs/dbraw/zinc/10/88/94/420108894.db2.gz LRGXNGSUDFAXII-NWDGAFQWSA-N 2 2 295.408 -0.197 20 0 CBADLP C[C@@H]1CCCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)[C@H]1C[NH3+] ZINC000653052048 420112183 /nfs/dbraw/zinc/11/21/83/420112183.db2.gz SIBVMUMAZSKSLA-WOPDTQHZSA-N 3 2 256.394 -0.149 20 0 CBADLP CC(C)CN(CC(N)=O)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653071438 420112659 /nfs/dbraw/zinc/11/26/59/420112659.db2.gz HUCFWISPGVZFAI-JTQLQIEISA-N 2 2 258.366 -0.765 20 0 CBADLP COC[C@H]([NH3+])C(=O)N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000367644481 420112736 /nfs/dbraw/zinc/11/27/36/420112736.db2.gz SZOYGTTZJJLJTN-MNOVXSKESA-N 2 2 273.402 -0.390 20 0 CBADLP CCN(CC(=O)N(C)C)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653068581 420113452 /nfs/dbraw/zinc/11/34/52/420113452.db2.gz JHMMDQFSUAEXKN-SNVBAGLBSA-N 2 2 258.366 -0.798 20 0 CBADLP CC(C)N1C[C@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)CC1=O ZINC000653084797 420114498 /nfs/dbraw/zinc/11/44/98/420114498.db2.gz SHEOVZODXZMFOC-MNOVXSKESA-N 2 2 270.377 -0.609 20 0 CBADLP CC(C)[C@@H]1C(=O)NCCN1C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653086618 420114933 /nfs/dbraw/zinc/11/49/33/420114933.db2.gz XLTVFOWDLBGWRJ-GHMZBOCLSA-N 2 2 270.377 -0.752 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCN(C2CC2)C(=O)C1 ZINC000653090949 420115273 /nfs/dbraw/zinc/11/52/73/420115273.db2.gz DETICSKBTBIVBA-LLVKDONJSA-N 2 2 268.361 -0.901 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000653105756 420115925 /nfs/dbraw/zinc/11/59/25/420115925.db2.gz IOVMZCTZOZGLFZ-UONOGXRCSA-N 3 2 298.431 -0.411 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000653111457 420116440 /nfs/dbraw/zinc/11/64/40/420116440.db2.gz OTVAQFCZXRHSKY-ZDUSSCGKSA-N 3 2 268.405 -0.180 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000653112614 420117178 /nfs/dbraw/zinc/11/71/78/420117178.db2.gz DEDAAPZDFMJJSX-PWSUYJOCSA-N 3 2 254.378 -0.382 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000653112614 420117180 /nfs/dbraw/zinc/11/71/80/420117180.db2.gz DEDAAPZDFMJJSX-PWSUYJOCSA-N 3 2 254.378 -0.382 20 0 CBADLP COc1ncc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)cc1C(N)=O ZINC000653123392 420118774 /nfs/dbraw/zinc/11/87/74/420118774.db2.gz XHSAFHZUVHUSTN-SNVBAGLBSA-N 2 2 295.343 -0.593 20 0 CBADLP C[C@H](CNC(=O)[C@H]([NH3+])CC[NH+](C)C)C[NH+]1CCOCC1 ZINC000653114764 420118998 /nfs/dbraw/zinc/11/89/98/420118998.db2.gz WCDJVUIZGMBRAX-CHWSQXEVSA-N 3 2 286.420 -0.650 20 0 CBADLP C[NH+](C)CC[C@H](N)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000653116398 420119737 /nfs/dbraw/zinc/11/97/37/420119737.db2.gz FOZIEAIQINJGNA-LBPRGKRZSA-N 2 2 286.420 -0.508 20 0 CBADLP C[NH+](C)CC[C@H](N)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000653116398 420119741 /nfs/dbraw/zinc/11/97/41/420119741.db2.gz FOZIEAIQINJGNA-LBPRGKRZSA-N 2 2 286.420 -0.508 20 0 CBADLP CC(C)[C@H]1CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CC[NH2+]1 ZINC000653132830 420121730 /nfs/dbraw/zinc/12/17/30/420121730.db2.gz DDCJFYQJAQSGLV-VXGBXAGGSA-N 3 2 256.394 -0.278 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000653133759 420122067 /nfs/dbraw/zinc/12/20/67/420122067.db2.gz ZPGIDUVYLGZYEI-TUAOUCFPSA-N 3 2 254.378 -0.382 20 0 CBADLP CC(C)C[C@H]1C(=O)NCCN1C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653152442 420123265 /nfs/dbraw/zinc/12/32/65/420123265.db2.gz NAFRCOBQOAMCGY-RYUDHWBXSA-N 2 2 284.404 -0.362 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CC[NH+]2CCC1CC2 ZINC000653151171 420123379 /nfs/dbraw/zinc/12/33/79/420123379.db2.gz ZGICGJGQFCDMOL-GFCCVEGCSA-N 3 2 254.378 -0.428 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000653147650 420123600 /nfs/dbraw/zinc/12/36/00/420123600.db2.gz YHHZGLWXYKOIKU-SDDRHHMPSA-N 3 2 254.378 -0.524 20 0 CBADLP CCC[C@H]1C(=O)NCCN1C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653153713 420124130 /nfs/dbraw/zinc/12/41/30/420124130.db2.gz XQJYWWCJTDJTGQ-MNOVXSKESA-N 2 2 270.377 -0.608 20 0 CBADLP CN(C[C@@H]1CCC[C@@H]1O)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653157134 420124875 /nfs/dbraw/zinc/12/48/75/420124875.db2.gz VQIDVYNDJGWFLL-SRVKXCTJSA-N 2 2 257.378 -0.115 20 0 CBADLP C[NH2+]Cc1ccccc1CNC(=O)CN1CC[NH2+]CC1=O ZINC000653210710 420127468 /nfs/dbraw/zinc/12/74/68/420127468.db2.gz GHGDUDOLGUEQCP-UHFFFAOYSA-N 2 2 290.367 -0.546 20 0 CBADLP C[C@H]1CCCN(C(=O)CN2CC[NH2+]CC2=O)[C@@H]1CC[NH3+] ZINC000653233148 420128109 /nfs/dbraw/zinc/12/81/09/420128109.db2.gz RAOKWXVPIAQWLG-NWDGAFQWSA-N 2 2 282.388 -0.606 20 0 CBADLP CCS(=O)(=O)NCC[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000368313221 420129110 /nfs/dbraw/zinc/12/91/10/420129110.db2.gz BYMOQXWPVRJXNU-LBPRGKRZSA-N 2 2 275.418 -0.047 20 0 CBADLP CCS(=O)(=O)NCC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000368313221 420129114 /nfs/dbraw/zinc/12/91/14/420129114.db2.gz BYMOQXWPVRJXNU-LBPRGKRZSA-N 2 2 275.418 -0.047 20 0 CBADLP CCS(=O)(=O)NCC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000368313221 420129115 /nfs/dbraw/zinc/12/91/15/420129115.db2.gz BYMOQXWPVRJXNU-LBPRGKRZSA-N 2 2 275.418 -0.047 20 0 CBADLP CCS(=O)(=O)NCC[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000368313221 420129119 /nfs/dbraw/zinc/12/91/19/420129119.db2.gz BYMOQXWPVRJXNU-LBPRGKRZSA-N 2 2 275.418 -0.047 20 0 CBADLP COCCOCC[NH+]1CCN(C(=O)[C@]2(C)CC[NH2+]C2)CC1 ZINC000653276106 420134029 /nfs/dbraw/zinc/13/40/29/420134029.db2.gz VSQPDFGDKHNKIB-OAHLLOKOSA-N 2 2 299.415 -0.207 20 0 CBADLP COCCOCC[NH+]1CCN(C(=O)C[C@@H]2CC[NH2+]C2)CC1 ZINC000653275507 420134231 /nfs/dbraw/zinc/13/42/31/420134231.db2.gz HHFOKLDBBGGAAQ-AWEZNQCLSA-N 2 2 299.415 -0.207 20 0 CBADLP C[NH2+]C[C@H](C)C(=O)N1CC[NH+](CCOCCOC)CC1 ZINC000653275993 420134554 /nfs/dbraw/zinc/13/45/54/420134554.db2.gz SWYFYJBCCUOMED-ZDUSSCGKSA-N 2 2 287.404 -0.351 20 0 CBADLP COCCOCC[NH+]1CCN(C(=O)CC(C)(C)[NH3+])CC1 ZINC000653276171 420134589 /nfs/dbraw/zinc/13/45/89/420134589.db2.gz XBVALCKLTDVAJV-UHFFFAOYSA-N 2 2 287.404 -0.079 20 0 CBADLP COCCOCC[NH+]1CCN(C(=O)[C@H]([NH3+])C2CCC2)CC1 ZINC000653274244 420134702 /nfs/dbraw/zinc/13/47/02/420134702.db2.gz AXBIOQZVGNYZOZ-CQSZACIVSA-N 2 2 299.415 -0.079 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCNc1cc[nH+]cc1 ZINC000653346097 420140747 /nfs/dbraw/zinc/14/07/47/420140747.db2.gz ILOFVHSOFWYBGY-LBPRGKRZSA-N 3 2 265.361 -0.689 20 0 CBADLP CC1CC[NH+](CC(=O)N2CCC[N@H+](CC(N)=O)CC2)CC1 ZINC000366143268 420078063 /nfs/dbraw/zinc/07/80/63/420078063.db2.gz OHFJLDFCKRPUJQ-UHFFFAOYSA-N 2 2 296.415 -0.262 20 0 CBADLP CC1CC[NH+](CC(=O)N2CCC[N@@H+](CC(N)=O)CC2)CC1 ZINC000366143268 420078066 /nfs/dbraw/zinc/07/80/66/420078066.db2.gz OHFJLDFCKRPUJQ-UHFFFAOYSA-N 2 2 296.415 -0.262 20 0 CBADLP CCNC(=O)C[NH+]1CCN(C[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC000370769091 420184421 /nfs/dbraw/zinc/18/44/21/420184421.db2.gz YSYOPKMGOVXGKY-AWEZNQCLSA-N 2 2 298.431 -0.539 20 0 CBADLP CCNC(=O)C[NH+]1CCN(C[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC000370769091 420184426 /nfs/dbraw/zinc/18/44/26/420184426.db2.gz YSYOPKMGOVXGKY-AWEZNQCLSA-N 2 2 298.431 -0.539 20 0 CBADLP O=C(NC[C@]1([NH+]2CCOCC2)CCCOC1)[C@H]1CC[NH2+]C1 ZINC000370770132 420185562 /nfs/dbraw/zinc/18/55/62/420185562.db2.gz CDDQWBVXAVBJNB-DZGCQCFKSA-N 2 2 297.399 -0.407 20 0 CBADLP C[C@@H]([NH3+])CCNC(=O)c1cnn(CC[NH+]2CCOCC2)c1 ZINC000370790126 420187289 /nfs/dbraw/zinc/18/72/89/420187289.db2.gz ZFDHIKYLSMIGPM-GFCCVEGCSA-N 2 2 295.387 -0.318 20 0 CBADLP C[NH2+]C[C@@H](C)C(=O)NC[C@@]1([NH+]2CCOCC2)CCCOC1 ZINC000370771466 420187859 /nfs/dbraw/zinc/18/78/59/420187859.db2.gz GQZSYCCZTDDTBL-HIFRSBDPSA-N 2 2 299.415 -0.161 20 0 CBADLP CC(C)([NH3+])C(=O)NC[C@@]1([NH+]2CCOCC2)CCCOC1 ZINC000370770949 420188251 /nfs/dbraw/zinc/18/82/51/420188251.db2.gz FVGNWYJAXHWDIU-AWEZNQCLSA-N 2 2 285.388 -0.279 20 0 CBADLP CC(C)NC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)C[NH3+])CC1 ZINC000375912973 420194124 /nfs/dbraw/zinc/19/41/24/420194124.db2.gz SHTPCCJDQYLCBI-GFCCVEGCSA-N 2 2 284.404 -0.360 20 0 CBADLP CC(C)NC(=O)C[N@H+]1CCCN(C(=O)[C@H](C)C[NH3+])CC1 ZINC000375912973 420194127 /nfs/dbraw/zinc/19/41/27/420194127.db2.gz SHTPCCJDQYLCBI-GFCCVEGCSA-N 2 2 284.404 -0.360 20 0 CBADLP CC(=O)NCC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000377376081 420195036 /nfs/dbraw/zinc/19/50/36/420195036.db2.gz YCVMHLURCZHVJV-LBPRGKRZSA-N 2 2 296.415 -0.251 20 0 CBADLP CC(=O)NCC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000377376081 420195042 /nfs/dbraw/zinc/19/50/42/420195042.db2.gz YCVMHLURCZHVJV-LBPRGKRZSA-N 2 2 296.415 -0.251 20 0 CBADLP CC(C)NC(=O)C[N@@H+]1CCCN(C(=O)C2C[NH2+]C2)CC1 ZINC000376863907 420195882 /nfs/dbraw/zinc/19/58/82/420195882.db2.gz IPGOAYRYAZVNHC-UHFFFAOYSA-N 2 2 282.388 -0.735 20 0 CBADLP CC(C)NC(=O)C[N@H+]1CCCN(C(=O)C2C[NH2+]C2)CC1 ZINC000376863907 420195888 /nfs/dbraw/zinc/19/58/88/420195888.db2.gz IPGOAYRYAZVNHC-UHFFFAOYSA-N 2 2 282.388 -0.735 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(NC(=O)COC)CC1 ZINC000653494756 420148046 /nfs/dbraw/zinc/14/80/46/420148046.db2.gz MWYCDQWOUSWSQK-CYBMUJFWSA-N 2 2 287.404 -0.474 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(NC(=O)COC)CC1 ZINC000653494756 420148047 /nfs/dbraw/zinc/14/80/47/420148047.db2.gz MWYCDQWOUSWSQK-CYBMUJFWSA-N 2 2 287.404 -0.474 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@]1(C)CO ZINC000653617700 420153207 /nfs/dbraw/zinc/15/32/07/420153207.db2.gz WNOQSTZKPPDHBG-QWHCGFSZSA-N 2 2 260.378 -0.228 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@]1(C)CO ZINC000653617700 420153209 /nfs/dbraw/zinc/15/32/09/420153209.db2.gz WNOQSTZKPPDHBG-QWHCGFSZSA-N 2 2 260.378 -0.228 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@]1(C)CO ZINC000653617700 420153212 /nfs/dbraw/zinc/15/32/12/420153212.db2.gz WNOQSTZKPPDHBG-QWHCGFSZSA-N 2 2 260.378 -0.228 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@]1(C)CO ZINC000653617700 420153218 /nfs/dbraw/zinc/15/32/18/420153218.db2.gz WNOQSTZKPPDHBG-QWHCGFSZSA-N 2 2 260.378 -0.228 20 0 CBADLP CC[N@H+](C)C[C@H](O)CN(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000653649579 420154838 /nfs/dbraw/zinc/15/48/38/420154838.db2.gz NBQADPADXYUGIG-KBPBESRZSA-N 2 2 273.421 -0.049 20 0 CBADLP CC[N@@H+](C)C[C@H](O)CN(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000653649579 420154839 /nfs/dbraw/zinc/15/48/39/420154839.db2.gz NBQADPADXYUGIG-KBPBESRZSA-N 2 2 273.421 -0.049 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)CN1CCOCC1 ZINC000653649579 420154841 /nfs/dbraw/zinc/15/48/41/420154841.db2.gz NBQADPADXYUGIG-KBPBESRZSA-N 2 2 273.421 -0.049 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)CN1CCOCC1 ZINC000653649579 420154843 /nfs/dbraw/zinc/15/48/43/420154843.db2.gz NBQADPADXYUGIG-KBPBESRZSA-N 2 2 273.421 -0.049 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@@H](C)CN1CCOCC1 ZINC000653649579 420154845 /nfs/dbraw/zinc/15/48/45/420154845.db2.gz NBQADPADXYUGIG-KBPBESRZSA-N 2 2 273.421 -0.049 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H](C)CN1CCOCC1 ZINC000653649579 420154849 /nfs/dbraw/zinc/15/48/49/420154849.db2.gz NBQADPADXYUGIG-KBPBESRZSA-N 2 2 273.421 -0.049 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@](CO)(COC)C1 ZINC000653755173 420160239 /nfs/dbraw/zinc/16/02/39/420160239.db2.gz FVAXRVIWKKIQFD-KGLIPLIRSA-N 2 2 290.404 -0.744 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@](CO)(COC)C1 ZINC000653755173 420160243 /nfs/dbraw/zinc/16/02/43/420160243.db2.gz FVAXRVIWKKIQFD-KGLIPLIRSA-N 2 2 290.404 -0.744 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@](CO)(COC)C1 ZINC000653755173 420160249 /nfs/dbraw/zinc/16/02/49/420160249.db2.gz FVAXRVIWKKIQFD-KGLIPLIRSA-N 2 2 290.404 -0.744 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@](CO)(COC)C1 ZINC000653755173 420160252 /nfs/dbraw/zinc/16/02/52/420160252.db2.gz FVAXRVIWKKIQFD-KGLIPLIRSA-N 2 2 290.404 -0.744 20 0 CBADLP O=C([C@H]1CCCc2[nH+]c[nH]c21)N1CC[NH+](CCO)CC1 ZINC000370489190 420180861 /nfs/dbraw/zinc/18/08/61/420180861.db2.gz ATVYJPRDUIUWDE-NSHDSACASA-N 2 2 278.356 -0.034 20 0 CBADLP C[C@@H]1C[NH2+]C[C@@H]([NH2+][C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000401859145 420222568 /nfs/dbraw/zinc/22/25/68/420222568.db2.gz WUORLEWEMFHUNR-DCAQKATOSA-N 2 2 261.391 -0.392 20 0 CBADLP O[C@@H]1C[C@H]2CN(CC[NH+]3CCOCC3)CC[N@@H+]2C1 ZINC000405405344 420225931 /nfs/dbraw/zinc/22/59/31/420225931.db2.gz LLRYAEXUAVBRNB-QWHCGFSZSA-N 2 2 255.362 -0.931 20 0 CBADLP O[C@@H]1C[C@H]2CN(CC[NH+]3CCOCC3)CC[N@H+]2C1 ZINC000405405344 420225935 /nfs/dbraw/zinc/22/59/35/420225935.db2.gz LLRYAEXUAVBRNB-QWHCGFSZSA-N 2 2 255.362 -0.931 20 0 CBADLP C[NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000655448842 420250403 /nfs/dbraw/zinc/25/04/03/420250403.db2.gz ZLFLNIMCUHWQSQ-NWDGAFQWSA-N 3 2 268.405 -0.121 20 0 CBADLP C[NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000655448842 420250409 /nfs/dbraw/zinc/25/04/09/420250409.db2.gz ZLFLNIMCUHWQSQ-NWDGAFQWSA-N 3 2 268.405 -0.121 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1C[NH2+]CCO1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655487502 420255049 /nfs/dbraw/zinc/25/50/49/420255049.db2.gz GLEHUROIZKXEBS-WUHRBBMRSA-N 2 2 285.388 -0.411 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1C[NH2+]CCO1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655487502 420255053 /nfs/dbraw/zinc/25/50/53/420255053.db2.gz GLEHUROIZKXEBS-WUHRBBMRSA-N 2 2 285.388 -0.411 20 0 CBADLP CCC(C)(C)[NH+]1CCN(C(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000655494857 420257787 /nfs/dbraw/zinc/25/77/87/420257787.db2.gz PDCKVMCMAMLIMN-UHFFFAOYSA-N 2 2 296.415 -0.249 20 0 CBADLP CN1C(=O)CC[C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1=O ZINC000655779002 420271077 /nfs/dbraw/zinc/27/10/77/420271077.db2.gz ZXMJYIBMYOFSBB-CHWSQXEVSA-N 2 2 295.383 -0.023 20 0 CBADLP C[N@H+](CC(=O)NCCCN1CCCC1=O)C1CC[NH2+]CC1 ZINC000430613356 420273263 /nfs/dbraw/zinc/27/32/63/420273263.db2.gz VZBRZUQTGKFHKM-UHFFFAOYSA-N 2 2 296.415 -0.201 20 0 CBADLP C[N@@H+](CC(=O)NCCCN1CCCC1=O)C1CC[NH2+]CC1 ZINC000430613356 420273264 /nfs/dbraw/zinc/27/32/64/420273264.db2.gz VZBRZUQTGKFHKM-UHFFFAOYSA-N 2 2 296.415 -0.201 20 0 CBADLP C[C@@H](NC(=O)Cc1c[nH+]cn1C)[C@H]1C[N@H+](C)CCO1 ZINC000673017402 544867406 /nfs/dbraw/zinc/86/74/06/544867406.db2.gz XJHZBSIVNPUHSO-ZYHUDNBSSA-N 2 2 266.345 -0.202 20 0 CBADLP C[C@@H](NC(=O)Cc1c[nH+]cn1C)[C@H]1C[N@@H+](C)CCO1 ZINC000673017402 544867413 /nfs/dbraw/zinc/86/74/13/544867413.db2.gz XJHZBSIVNPUHSO-ZYHUDNBSSA-N 2 2 266.345 -0.202 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]([NH3+])C1CCC1 ZINC000399077123 420217808 /nfs/dbraw/zinc/21/78/08/420217808.db2.gz ODUCWVAPNKTUIW-CMPLNLGQSA-N 2 2 255.362 -0.049 20 0 CBADLP C[C@@H]1C[C@H](CO)C[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000398786922 420218979 /nfs/dbraw/zinc/21/89/79/420218979.db2.gz QOWGHIRVIZCTIQ-OLZOCXBDSA-N 2 2 269.389 -0.289 20 0 CBADLP C[C@@H]1C[C@H](CO)C[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000398786922 420218981 /nfs/dbraw/zinc/21/89/81/420218981.db2.gz QOWGHIRVIZCTIQ-OLZOCXBDSA-N 2 2 269.389 -0.289 20 0 CBADLP C[C@H]1C[C@@H](CO)C[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000398786929 420219395 /nfs/dbraw/zinc/21/93/95/420219395.db2.gz QOWGHIRVIZCTIQ-QWHCGFSZSA-N 2 2 269.389 -0.289 20 0 CBADLP C[C@H]1C[C@@H](CO)C[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000398786929 420219399 /nfs/dbraw/zinc/21/93/99/420219399.db2.gz QOWGHIRVIZCTIQ-QWHCGFSZSA-N 2 2 269.389 -0.289 20 0 CBADLP C[C@@H](CCNC(=O)NCC[NH+]1CCOCC1)[NH+](C)C ZINC000656542530 420315230 /nfs/dbraw/zinc/31/52/30/420315230.db2.gz IIJPIPDMXXBRLJ-LBPRGKRZSA-N 2 2 272.393 -0.042 20 0 CBADLP C[C@@H](CNC[C@@H](O)C[NH+]1CCN(C)CC1)[NH+](C)C ZINC000516761404 420363141 /nfs/dbraw/zinc/36/31/41/420363141.db2.gz DAWMPJFTTQBEHZ-QWHCGFSZSA-N 2 2 258.410 -0.866 20 0 CBADLP Cn1cc[nH+]c1N1CC[NH+](C[C@@H]2CN(C)C(=O)O2)CC1 ZINC000496995126 420337641 /nfs/dbraw/zinc/33/76/41/420337641.db2.gz PBBWRDHPIKIUQW-NSHDSACASA-N 2 2 279.344 -0.007 20 0 CBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1COC(=O)N1 ZINC000497070337 420338025 /nfs/dbraw/zinc/33/80/25/420338025.db2.gz IEDJLAXAZGOWSI-GFCCVEGCSA-N 2 2 298.387 -0.421 20 0 CBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1COC(=O)N1 ZINC000497070337 420338030 /nfs/dbraw/zinc/33/80/30/420338030.db2.gz IEDJLAXAZGOWSI-GFCCVEGCSA-N 2 2 298.387 -0.421 20 0 CBADLP COCCS(=O)(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000657071840 420339295 /nfs/dbraw/zinc/33/92/95/420339295.db2.gz WDOCKOCCXJOBPA-LBPRGKRZSA-N 2 2 295.449 -0.176 20 0 CBADLP COCCS(=O)(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000657071840 420339298 /nfs/dbraw/zinc/33/92/98/420339298.db2.gz WDOCKOCCXJOBPA-LBPRGKRZSA-N 2 2 295.449 -0.176 20 0 CBADLP O=S1(=O)CCCN1CC[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657350004 420353316 /nfs/dbraw/zinc/35/33/16/420353316.db2.gz RQFWDBDSAPUIRX-UHFFFAOYSA-N 2 2 284.385 -0.046 20 0 CBADLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2cc3n(n2)CCC3)C1 ZINC000657435700 420355202 /nfs/dbraw/zinc/35/52/02/420355202.db2.gz OJNLKQZMHSAUSN-CYBMUJFWSA-N 2 2 250.346 -0.015 20 0 CBADLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2cc3n(n2)CCC3)C1 ZINC000657435700 420355206 /nfs/dbraw/zinc/35/52/06/420355206.db2.gz OJNLKQZMHSAUSN-CYBMUJFWSA-N 2 2 250.346 -0.015 20 0 CBADLP Cc1[nH+]cc(C[NH2+]CCCN2CCNC(=O)C2)n1C ZINC000657499427 420355538 /nfs/dbraw/zinc/35/55/38/420355538.db2.gz DWUSDKKBXLWDOD-UHFFFAOYSA-N 2 2 265.361 -0.360 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@@]1(OCCO)CCOC1 ZINC000657597806 420358373 /nfs/dbraw/zinc/35/83/73/420358373.db2.gz PPPFIQBXGCSRGN-AGIUHOORSA-N 2 2 258.362 -0.306 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@@]1(OCCO)CCOC1 ZINC000657597806 420358377 /nfs/dbraw/zinc/35/83/77/420358377.db2.gz PPPFIQBXGCSRGN-AGIUHOORSA-N 2 2 258.362 -0.306 20 0 CBADLP C[C@@H]1CC[NH+](C[C@@H](O)C[N@H+]2CC[C@H](C)[C@H](O)C2)C[C@H]1O ZINC000447311985 420293993 /nfs/dbraw/zinc/29/39/93/420293993.db2.gz JYXROXAXCIPQEG-XLWJZTARSA-N 2 2 286.416 -0.247 20 0 CBADLP C[C@@H]1CC[NH+](C[C@@H](O)C[N@@H+]2CC[C@H](C)[C@H](O)C2)C[C@H]1O ZINC000447311985 420293996 /nfs/dbraw/zinc/29/39/96/420293996.db2.gz JYXROXAXCIPQEG-XLWJZTARSA-N 2 2 286.416 -0.247 20 0 CBADLP C[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+]2CC[C@H](C)[C@H](O)C2)C[C@H]1O ZINC000447311985 420294000 /nfs/dbraw/zinc/29/40/00/420294000.db2.gz JYXROXAXCIPQEG-XLWJZTARSA-N 2 2 286.416 -0.247 20 0 CBADLP C[C@@H]1CC[N@H+](C[C@@H](O)C[NH+]2CC[C@H](C)[C@H](O)C2)C[C@H]1O ZINC000447311985 420294003 /nfs/dbraw/zinc/29/40/03/420294003.db2.gz JYXROXAXCIPQEG-XLWJZTARSA-N 2 2 286.416 -0.247 20 0 CBADLP Cc1nc(NC[C@@H]2CCC[N@@H+]2CCCO)nc(N(C)C)[nH+]1 ZINC000450588509 420299684 /nfs/dbraw/zinc/29/96/84/420299684.db2.gz BNLPXGFHSFLYDS-LBPRGKRZSA-N 2 2 294.403 0.505 20 0 CBADLP Cc1nc(NC[C@@H]2CCC[N@H+]2CCCO)nc(N(C)C)[nH+]1 ZINC000450588509 420299688 /nfs/dbraw/zinc/29/96/88/420299688.db2.gz BNLPXGFHSFLYDS-LBPRGKRZSA-N 2 2 294.403 0.505 20 0 CBADLP O[C@@H]1C[C@H]2CN(c3nc[nH+]c4c3OCCN4)CC[N@@H+]2C1 ZINC000656218628 420304279 /nfs/dbraw/zinc/30/42/79/420304279.db2.gz DILAOZAFTWMWDC-VHSXEESVSA-N 2 2 277.328 -0.464 20 0 CBADLP O[C@@H]1C[C@H]2CN(c3nc[nH+]c4c3OCCN4)CC[N@H+]2C1 ZINC000656218628 420304284 /nfs/dbraw/zinc/30/42/84/420304284.db2.gz DILAOZAFTWMWDC-VHSXEESVSA-N 2 2 277.328 -0.464 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N(C)CC2C[NH+](C)C2)CC1 ZINC000658411548 420376166 /nfs/dbraw/zinc/37/61/66/420376166.db2.gz IKIKONPAPNDAKJ-UHFFFAOYSA-N 2 2 282.388 -0.830 20 0 CBADLP CC[NH+]1CCN(CC(=O)NCC[N@@H+]2CCO[C@H](C)C2)CC1 ZINC000517796748 420379730 /nfs/dbraw/zinc/37/97/30/420379730.db2.gz NCOPPSKIZJUKHX-CQSZACIVSA-N 2 2 298.431 -0.539 20 0 CBADLP CC[NH+]1CCN(CC(=O)NCC[N@H+]2CCO[C@H](C)C2)CC1 ZINC000517796748 420379738 /nfs/dbraw/zinc/37/97/38/420379738.db2.gz NCOPPSKIZJUKHX-CQSZACIVSA-N 2 2 298.431 -0.539 20 0 CBADLP CCCC[C@H](NC(N)=O)C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000518535760 420381874 /nfs/dbraw/zinc/38/18/74/420381874.db2.gz IWMXOUYURCIVDJ-MNOVXSKESA-N 2 2 285.392 -0.685 20 0 CBADLP CCCC[C@H](NC(N)=O)C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000518535760 420381877 /nfs/dbraw/zinc/38/18/77/420381877.db2.gz IWMXOUYURCIVDJ-MNOVXSKESA-N 2 2 285.392 -0.685 20 0 CBADLP CSCC[C@H]([NH3+])C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000518540384 420382472 /nfs/dbraw/zinc/38/24/72/420382472.db2.gz JXGMMAFHEKXWKG-MNOVXSKESA-N 2 2 275.418 -0.096 20 0 CBADLP CSCC[C@H]([NH3+])C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000518540384 420382478 /nfs/dbraw/zinc/38/24/78/420382478.db2.gz JXGMMAFHEKXWKG-MNOVXSKESA-N 2 2 275.418 -0.096 20 0 CBADLP C[C@@H](CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])Cn1cccn1 ZINC000519753409 420387680 /nfs/dbraw/zinc/38/76/80/420387680.db2.gz MGAIBMYALNAGNA-STQMWFEESA-N 2 2 294.403 -0.197 20 0 CBADLP C[C@@H](CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])Cn1cccn1 ZINC000519753409 420387685 /nfs/dbraw/zinc/38/76/85/420387685.db2.gz MGAIBMYALNAGNA-STQMWFEESA-N 2 2 294.403 -0.197 20 0 CBADLP CCN(C(=O)C(=O)N1CC[NH+](C)CC1)[C@H]1CC[N@H+](CC)C1 ZINC000658828970 420390753 /nfs/dbraw/zinc/39/07/53/420390753.db2.gz HDIKVCBLOBMPGB-ZDUSSCGKSA-N 2 2 296.415 -0.297 20 0 CBADLP CCN(C(=O)C(=O)N1CC[NH+](C)CC1)[C@H]1CC[N@@H+](CC)C1 ZINC000658828970 420390757 /nfs/dbraw/zinc/39/07/57/420390757.db2.gz HDIKVCBLOBMPGB-ZDUSSCGKSA-N 2 2 296.415 -0.297 20 0 CBADLP Cc1cn(C)nc1NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000659055733 420395018 /nfs/dbraw/zinc/39/50/18/420395018.db2.gz IQACAXYBAQPZPD-SNVBAGLBSA-N 2 2 266.349 -0.165 20 0 CBADLP C[C@@H](CNC(=O)[C@H](C)[NH+](C)C)CN1CC[NH+](C)CC1 ZINC000674263799 544901363 /nfs/dbraw/zinc/90/13/63/544901363.db2.gz AIIWVSKPJUUJHC-STQMWFEESA-N 2 2 270.421 -0.064 20 0 CBADLP C[C@@H](C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1)[NH+](C)C ZINC000674289813 544902453 /nfs/dbraw/zinc/90/24/53/544902453.db2.gz VXJJFDMGOTUSBO-JTQLQIEISA-N 2 2 270.377 -0.655 20 0 CBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC000674369109 544903584 /nfs/dbraw/zinc/90/35/84/544903584.db2.gz YERQZLFNWMSUEP-ZIAGYGMSSA-N 2 2 299.415 -0.378 20 0 CBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1CCCC[N@H+]1C ZINC000674369109 544903585 /nfs/dbraw/zinc/90/35/85/544903585.db2.gz YERQZLFNWMSUEP-ZIAGYGMSSA-N 2 2 299.415 -0.378 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000676345022 544948774 /nfs/dbraw/zinc/94/87/74/544948774.db2.gz UUCUTBWJPXTIRY-UONOGXRCSA-N 2 2 297.399 -0.314 20 0 CBADLP C[C@@H](C(=O)N1CC[NH+]([C@H]2CCOC2)CC1)[NH+](C)C ZINC000676390590 544950548 /nfs/dbraw/zinc/95/05/48/544950548.db2.gz ZBYIAJWCUDGTMU-RYUDHWBXSA-N 2 2 255.362 -0.130 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCCN1CCCS1(=O)=O ZINC000674878083 544920065 /nfs/dbraw/zinc/92/00/65/544920065.db2.gz DOEUSRAUSMMRML-VXGBXAGGSA-N 2 2 275.418 -0.048 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCN1CCCS1(=O)=O ZINC000674878083 544920067 /nfs/dbraw/zinc/92/00/67/544920067.db2.gz DOEUSRAUSMMRML-VXGBXAGGSA-N 2 2 275.418 -0.048 20 0 CBADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1cnccn1 ZINC000675782207 544937313 /nfs/dbraw/zinc/93/73/13/544937313.db2.gz NZDPKHHZLRDZNC-LLVKDONJSA-N 2 2 263.345 -0.099 20 0 CBADLP CC[N@H+](CC(=O)N(C)C)[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000677884245 544988191 /nfs/dbraw/zinc/98/81/91/544988191.db2.gz NJMQXPFZKBQHFN-ZDUSSCGKSA-N 2 2 298.431 -0.051 20 0 CBADLP CC[N@@H+](CC(=O)N(C)C)[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000677884245 544988196 /nfs/dbraw/zinc/98/81/96/544988196.db2.gz NJMQXPFZKBQHFN-ZDUSSCGKSA-N 2 2 298.431 -0.051 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659435128 420418724 /nfs/dbraw/zinc/41/87/24/420418724.db2.gz GZXJNFIEIDSNNE-LKSINWNRSA-N 2 2 282.388 -0.242 20 0 CBADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CC2CC1(C[NH3+])C2 ZINC000659451525 420421030 /nfs/dbraw/zinc/42/10/30/420421030.db2.gz GGTSEOKMSHLGAX-DNOWBOINSA-N 2 2 295.431 -0.245 20 0 CBADLP C[NH2+]C[C@@H](C)NC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000659487009 420423017 /nfs/dbraw/zinc/42/30/17/420423017.db2.gz MTWRRWHIVYFFJU-LLVKDONJSA-N 2 2 270.377 -0.242 20 0 CBADLP C[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000133763156 230172274 /nfs/dbraw/zinc/17/22/74/230172274.db2.gz QFVYCYMCZMMZRW-ZDUSSCGKSA-N 3 2 268.405 -0.356 20 0 CBADLP C[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000133763156 230172278 /nfs/dbraw/zinc/17/22/78/230172278.db2.gz QFVYCYMCZMMZRW-ZDUSSCGKSA-N 3 2 268.405 -0.356 20 0 CBADLP COC[C@@]1(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CCC[NH2+]1 ZINC000659357563 420414707 /nfs/dbraw/zinc/41/47/07/420414707.db2.gz JYYHDPFPBATZOP-DZGCQCFKSA-N 2 2 297.399 -0.312 20 0 CBADLP O=C(C[NH2+]C[C@H]1CCCO1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659359249 420416385 /nfs/dbraw/zinc/41/63/85/420416385.db2.gz XKAVCIXJYYOFHX-ZIAGYGMSSA-N 2 2 297.399 -0.312 20 0 CBADLP CC1(OCC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C[NH2+]C1 ZINC000659358724 420416571 /nfs/dbraw/zinc/41/65/71/420416571.db2.gz STMIDCKATDXPFB-LBPRGKRZSA-N 2 2 283.372 -0.702 20 0 CBADLP O=C(C[NH2+]C[C@@H]1CCCO1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659359246 420416706 /nfs/dbraw/zinc/41/67/06/420416706.db2.gz XKAVCIXJYYOFHX-KBPBESRZSA-N 2 2 297.399 -0.312 20 0 CBADLP C[N@@H+]1CCN(C(=O)NCCO[C@H]2CC2(F)F)[C@@H](C[NH3+])C1 ZINC000659568883 420434284 /nfs/dbraw/zinc/43/42/84/420434284.db2.gz RABXMHNJLIABNC-UWVGGRQHSA-N 2 2 292.330 -0.305 20 0 CBADLP C[N@H+]1CCN(C(=O)NCCO[C@H]2CC2(F)F)[C@@H](C[NH3+])C1 ZINC000659568883 420434290 /nfs/dbraw/zinc/43/42/90/420434290.db2.gz RABXMHNJLIABNC-UWVGGRQHSA-N 2 2 292.330 -0.305 20 0 CBADLP CCn1cc(CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])nn1 ZINC000659568843 420435173 /nfs/dbraw/zinc/43/51/73/420435173.db2.gz FNFINLIIJUWSNW-NSHDSACASA-N 2 2 281.364 -0.918 20 0 CBADLP CCn1cc(CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])nn1 ZINC000659568843 420435178 /nfs/dbraw/zinc/43/51/78/420435178.db2.gz FNFINLIIJUWSNW-NSHDSACASA-N 2 2 281.364 -0.918 20 0 CBADLP C[N@@H+]1CCN(C(=O)NCC23CC(C2)C[NH2+]3)[C@H](C[NH3+])C1 ZINC000659612479 420437170 /nfs/dbraw/zinc/43/71/70/420437170.db2.gz VYBQRXPTSNLENW-QWKFWESOSA-N 3 2 267.377 -0.977 20 0 CBADLP C[N@H+]1CCN(C(=O)NCC23CC(C2)C[NH2+]3)[C@H](C[NH3+])C1 ZINC000659612479 420437172 /nfs/dbraw/zinc/43/71/72/420437172.db2.gz VYBQRXPTSNLENW-QWKFWESOSA-N 3 2 267.377 -0.977 20 0 CBADLP O=C(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)N1CCOC[C@H]1C1CC1 ZINC000677980863 545010298 /nfs/dbraw/zinc/01/02/98/545010298.db2.gz LSJXHXZNJCCPHA-MJBXVCDLSA-N 2 2 279.384 -0.225 20 0 CBADLP O=C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)N1CCOC[C@H]1C1CC1 ZINC000677980863 545010299 /nfs/dbraw/zinc/01/02/99/545010299.db2.gz LSJXHXZNJCCPHA-MJBXVCDLSA-N 2 2 279.384 -0.225 20 0 CBADLP O=C(NC1CC[NH2+]CC1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659504378 420424819 /nfs/dbraw/zinc/42/48/19/420424819.db2.gz BKRDSQDRKFVTRA-ZDUSSCGKSA-N 2 2 282.388 -0.146 20 0 CBADLP COC[C@H](O)C[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000678081739 545012897 /nfs/dbraw/zinc/01/28/97/545012897.db2.gz YMFPNQSHIKTMGT-OLZOCXBDSA-N 2 2 285.388 -0.592 20 0 CBADLP COC[C@H](O)C[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000678081739 545012898 /nfs/dbraw/zinc/01/28/98/545012898.db2.gz YMFPNQSHIKTMGT-OLZOCXBDSA-N 2 2 285.388 -0.592 20 0 CBADLP C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)CN1CC[NH+](C)CC1 ZINC000678180462 545014218 /nfs/dbraw/zinc/01/42/18/545014218.db2.gz XNCAWKVVQGMTEB-QWHCGFSZSA-N 2 2 268.405 -0.215 20 0 CBADLP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)CN1CC[NH+](C)CC1 ZINC000678180462 545014220 /nfs/dbraw/zinc/01/42/20/545014220.db2.gz XNCAWKVVQGMTEB-QWHCGFSZSA-N 2 2 268.405 -0.215 20 0 CBADLP C[C@@H](NC(=O)NCC(=O)N1CC[NH2+]CC1)c1[nH+]ccn1C ZINC000659507875 420425960 /nfs/dbraw/zinc/42/59/60/420425960.db2.gz LNOKKXXTEUEPGS-SNVBAGLBSA-N 2 2 294.359 -0.788 20 0 CBADLP C[C@@H]1[C@H](C)N(C(=O)CN2CC[NH+](C)CC2)CC[N@H+]1C ZINC000678427994 545016271 /nfs/dbraw/zinc/01/62/71/545016271.db2.gz GDOPEALIFZMAOO-OLZOCXBDSA-N 2 2 268.405 -0.215 20 0 CBADLP C[C@@H]1[C@H](C)N(C(=O)CN2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000678427994 545016273 /nfs/dbraw/zinc/01/62/73/545016273.db2.gz GDOPEALIFZMAOO-OLZOCXBDSA-N 2 2 268.405 -0.215 20 0 CBADLP C[C@@H](NC(=O)NCCN1CC[NH2+]CC1)c1[nH+]ccn1C ZINC000659507808 420426294 /nfs/dbraw/zinc/42/62/94/420426294.db2.gz OXZSLUZDSZIYDD-LLVKDONJSA-N 2 2 280.376 -0.315 20 0 CBADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCc1nnnn1C ZINC000678547040 545019391 /nfs/dbraw/zinc/01/93/91/545019391.db2.gz OTBROFPWNGRXGF-GXSJLCMTSA-N 2 2 250.350 -0.175 20 0 CBADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCc1nnnn1C ZINC000678547040 545019392 /nfs/dbraw/zinc/01/93/92/545019392.db2.gz OTBROFPWNGRXGF-GXSJLCMTSA-N 2 2 250.350 -0.175 20 0 CBADLP O=C(N[C@H]1CC[NH2+]C1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659514734 420427788 /nfs/dbraw/zinc/42/77/88/420427788.db2.gz CSGOZALVEVVKHC-RYUDHWBXSA-N 2 2 268.361 -0.536 20 0 CBADLP C[C@H](C[NH3+])CNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659527913 420428334 /nfs/dbraw/zinc/42/83/34/420428334.db2.gz XXIDCWYMRGODOE-VXGBXAGGSA-N 2 2 270.377 -0.303 20 0 CBADLP [NH3+][C@@H](CNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1)C1CC1 ZINC000659527818 420428624 /nfs/dbraw/zinc/42/86/24/420428624.db2.gz NWVMRDFHBRMLGG-STQMWFEESA-N 2 2 282.388 -0.160 20 0 CBADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1N1CC[NH+](C)CC1 ZINC000377081136 230275412 /nfs/dbraw/zinc/27/54/12/230275412.db2.gz UBRLFSWSQNIFML-KBPBESRZSA-N 2 2 268.405 -0.056 20 0 CBADLP [NH3+]C/C=C\CNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659544750 420430934 /nfs/dbraw/zinc/43/09/34/420430934.db2.gz WUGWFXIWYXGSHB-BIOMNHJASA-N 2 2 268.361 -0.383 20 0 CBADLP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659546478 420431147 /nfs/dbraw/zinc/43/11/47/420431147.db2.gz CIDFGAZHSFMELW-NDBYEHHHSA-N 2 2 280.372 -0.680 20 0 CBADLP O=C(NC[C@@H]1C[NH2+]CCO1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659555572 420432921 /nfs/dbraw/zinc/43/29/21/420432921.db2.gz ROPQLPIVYKWKMR-STQMWFEESA-N 2 2 298.387 -0.909 20 0 CBADLP C[C@@H](NC(=O)NC[C@H]1C[NH2+]CCO1)c1[nH+]ccn1C ZINC000659555656 420433458 /nfs/dbraw/zinc/43/34/58/420433458.db2.gz SIEPAYQIIJQHOA-NXEZZACHSA-N 2 2 267.333 -0.231 20 0 CBADLP C[C@@H](C(=O)NCC1([NH+]2CCOCC2)CC1)[NH+](C)C ZINC000683423076 545064414 /nfs/dbraw/zinc/06/44/14/545064414.db2.gz IVTIZWIXJYNXLC-NSHDSACASA-N 2 2 255.362 -0.083 20 0 CBADLP COCC[C@]1([NH2+]CC(=O)N2CC[NH+](C)CC2)CCOC1 ZINC000683679240 545066909 /nfs/dbraw/zinc/06/69/09/545066909.db2.gz LTFAKWUZQJJDCQ-AWEZNQCLSA-N 2 2 285.388 -0.454 20 0 CBADLP C[NH+](C)CC(=O)N1CCC(N2CC[N@H+](C)CC2=O)CC1 ZINC000378564371 230325286 /nfs/dbraw/zinc/32/52/86/230325286.db2.gz OAWUEPWWOXQYOP-UHFFFAOYSA-N 2 2 282.388 -0.687 20 0 CBADLP C[NH+](C)CC(=O)N1CCC(N2CC[N@@H+](C)CC2=O)CC1 ZINC000378564371 230325291 /nfs/dbraw/zinc/32/52/91/230325291.db2.gz OAWUEPWWOXQYOP-UHFFFAOYSA-N 2 2 282.388 -0.687 20 0 CBADLP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H](C)[NH+](C)C)[C@@H](C)C1 ZINC000684480300 545074416 /nfs/dbraw/zinc/07/44/16/545074416.db2.gz ACWPNCDPNMHYPO-SRVKXCTJSA-N 2 2 257.378 -0.150 20 0 CBADLP C[C@H](O)C[N@H+]1CCN(C(=O)[C@H](C)[NH+](C)C)[C@@H](C)C1 ZINC000684480300 545074417 /nfs/dbraw/zinc/07/44/17/545074417.db2.gz ACWPNCDPNMHYPO-SRVKXCTJSA-N 2 2 257.378 -0.150 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)/C=C\C[NH+](C)C ZINC000491686728 230330935 /nfs/dbraw/zinc/33/09/35/230330935.db2.gz SGFFDGFMLVPMQG-QMAVJUDZSA-N 2 2 255.362 -0.059 20 0 CBADLP CN(C)[C@H](C(=O)NC[C@@](C)(O)C[NH+](C)C)c1c[nH+]cn1C ZINC000684834569 545077253 /nfs/dbraw/zinc/07/72/53/545077253.db2.gz BAUOFWZQYNXLCL-GXTWGEPZSA-N 2 2 297.403 -0.548 20 0 CBADLP CN1CC[N@H+](C)[C@@H](CNC(=O)/C=C\C[NH+](C)C)C1 ZINC000491844734 230331685 /nfs/dbraw/zinc/33/16/85/230331685.db2.gz IWWMLLAFZIUOAH-FJOGCWAESA-N 2 2 254.378 -0.534 20 0 CBADLP Nc1cc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)ccn1 ZINC000564227460 420438392 /nfs/dbraw/zinc/43/83/92/420438392.db2.gz OBPHWDJBDDKZCA-QWRGUYRKSA-N 2 2 261.329 -0.592 20 0 CBADLP Nc1cc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)ccn1 ZINC000564227460 420438395 /nfs/dbraw/zinc/43/83/95/420438395.db2.gz OBPHWDJBDDKZCA-QWRGUYRKSA-N 2 2 261.329 -0.592 20 0 CBADLP Nc1cc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)ccn1 ZINC000564227461 420438848 /nfs/dbraw/zinc/43/88/48/420438848.db2.gz OBPHWDJBDDKZCA-WDEREUQCSA-N 2 2 261.329 -0.592 20 0 CBADLP Nc1cc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)ccn1 ZINC000564227461 420438852 /nfs/dbraw/zinc/43/88/52/420438852.db2.gz OBPHWDJBDDKZCA-WDEREUQCSA-N 2 2 261.329 -0.592 20 0 CBADLP O=C([C@H]1CCC[N@@H+]1C1CC1)N1CC[NH+](CCO)CC1 ZINC000494201458 230349151 /nfs/dbraw/zinc/34/91/51/230349151.db2.gz MOSKGSBQBHYTRL-CYBMUJFWSA-N 2 2 267.373 -0.250 20 0 CBADLP O=C([C@H]1CCC[N@H+]1C1CC1)N1CC[NH+](CCO)CC1 ZINC000494201458 230349155 /nfs/dbraw/zinc/34/91/55/230349155.db2.gz MOSKGSBQBHYTRL-CYBMUJFWSA-N 2 2 267.373 -0.250 20 0 CBADLP C[NH+](C)CC(=O)NC[C@H]1CCC[C@H]1NC(=O)C[NH+](C)C ZINC000682360830 545055575 /nfs/dbraw/zinc/05/55/75/545055575.db2.gz VGQHYDLJIOIIKM-VXGBXAGGSA-N 2 2 284.404 -0.489 20 0 CBADLP C[C@H](O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000682501006 545056894 /nfs/dbraw/zinc/05/68/94/545056894.db2.gz ZMLBUPUWRCOHLE-AAEUAGOBSA-N 2 2 269.389 -0.006 20 0 CBADLP C[C@H](O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000682501006 545056895 /nfs/dbraw/zinc/05/68/95/545056895.db2.gz ZMLBUPUWRCOHLE-AAEUAGOBSA-N 2 2 269.389 -0.006 20 0 CBADLP [NH3+]C1(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CCC1 ZINC000565041733 420441342 /nfs/dbraw/zinc/44/13/42/420441342.db2.gz USYYXLFPRIDPSI-UHFFFAOYSA-N 2 2 293.371 0.035 20 0 CBADLP C[NH2+]C[C@@H](C)NC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000659636364 420441863 /nfs/dbraw/zinc/44/18/63/420441863.db2.gz KRYYMETVIZKIAO-SNVBAGLBSA-N 2 2 285.392 -0.815 20 0 CBADLP C[NH2+]C[C@H](C)NC(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000659640177 420442059 /nfs/dbraw/zinc/44/20/59/420442059.db2.gz FDKCIIZMSTZWRP-LBPRGKRZSA-N 2 2 294.403 -0.145 20 0 CBADLP C[NH2+]C[C@H](C)NC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000659636363 420442124 /nfs/dbraw/zinc/44/21/24/420442124.db2.gz KRYYMETVIZKIAO-JTQLQIEISA-N 2 2 285.392 -0.815 20 0 CBADLP C[NH2+]C[C@@H](C)NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000659641491 420443299 /nfs/dbraw/zinc/44/32/99/420443299.db2.gz GCHCQKIWGLFOCH-UTUOFQBUSA-N 2 2 270.377 -0.243 20 0 CBADLP C[NH2+]C[C@@H](C)NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000659641491 420443301 /nfs/dbraw/zinc/44/33/01/420443301.db2.gz GCHCQKIWGLFOCH-UTUOFQBUSA-N 2 2 270.377 -0.243 20 0 CBADLP C[NH2+]C[C@H](C)NC(=O)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000659677254 420447060 /nfs/dbraw/zinc/44/70/60/420447060.db2.gz MPIRVWYNTVOXRE-JTQLQIEISA-N 2 2 289.339 -0.325 20 0 CBADLP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NCCc1cn(C)c[nH+]1 ZINC000659681557 420447268 /nfs/dbraw/zinc/44/72/68/420447268.db2.gz JXGPBCCINRNNHZ-GFCCVEGCSA-N 2 2 295.387 -0.432 20 0 CBADLP Nc1nc(N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)[nH+]c2ccccc12 ZINC000568257592 420450141 /nfs/dbraw/zinc/45/01/41/420450141.db2.gz QTBIMKPYXHURLR-MWLCHTKSSA-N 2 2 298.350 -0.040 20 0 CBADLP Nc1ncc(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)s1 ZINC000576280125 420462448 /nfs/dbraw/zinc/46/24/48/420462448.db2.gz SZJIYWGNVWWOML-SNVBAGLBSA-N 2 2 295.412 0.122 20 0 CBADLP Nc1ncc(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)s1 ZINC000576280125 420462450 /nfs/dbraw/zinc/46/24/50/420462450.db2.gz SZJIYWGNVWWOML-SNVBAGLBSA-N 2 2 295.412 0.122 20 0 CBADLP CO[C@H](C[NH+]1CCN(C(=O)C[NH+](C)C)CC1)[C@@H]1CCOC1 ZINC000659839222 420474846 /nfs/dbraw/zinc/47/48/46/420474846.db2.gz UXKKXLXTKQVCCG-ZIAGYGMSSA-N 2 2 299.415 -0.256 20 0 CBADLP COC[C@@H](C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)OC ZINC000660010477 420480298 /nfs/dbraw/zinc/48/02/98/420480298.db2.gz ASYMWVCMHMVYIU-ZIAGYGMSSA-N 2 2 299.415 -0.114 20 0 CBADLP COC[C@@H](C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)OC ZINC000660010477 420480301 /nfs/dbraw/zinc/48/03/01/420480301.db2.gz ASYMWVCMHMVYIU-ZIAGYGMSSA-N 2 2 299.415 -0.114 20 0 CBADLP COC(=O)[C@@H]1C[NH2+]CCCN1Cc1cc[nH+]c(N)c1 ZINC000592486394 420483365 /nfs/dbraw/zinc/48/33/65/420483365.db2.gz BQVHCRJWSZPJNA-NSHDSACASA-N 2 2 264.329 0.001 20 0 CBADLP Nc1ccc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cn1 ZINC000594738633 420485849 /nfs/dbraw/zinc/48/58/49/420485849.db2.gz IWUBINSWXYYMHA-QWRGUYRKSA-N 2 2 261.329 -0.592 20 0 CBADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](NC(N)=O)C1 ZINC000660150906 420485915 /nfs/dbraw/zinc/48/59/15/420485915.db2.gz VBJAXKJWJRJMDT-QWRGUYRKSA-N 2 2 258.366 -0.570 20 0 CBADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](NC(N)=O)C1 ZINC000660150906 420485917 /nfs/dbraw/zinc/48/59/17/420485917.db2.gz VBJAXKJWJRJMDT-QWRGUYRKSA-N 2 2 258.366 -0.570 20 0 CBADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](NC(N)=O)C1 ZINC000660150906 420485918 /nfs/dbraw/zinc/48/59/18/420485918.db2.gz VBJAXKJWJRJMDT-QWRGUYRKSA-N 2 2 258.366 -0.570 20 0 CBADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](NC(N)=O)C1 ZINC000660150906 420485919 /nfs/dbraw/zinc/48/59/19/420485919.db2.gz VBJAXKJWJRJMDT-QWRGUYRKSA-N 2 2 258.366 -0.570 20 0 CBADLP Nc1ccc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cn1 ZINC000594738632 420486030 /nfs/dbraw/zinc/48/60/30/420486030.db2.gz IWUBINSWXYYMHA-MNOVXSKESA-N 2 2 261.329 -0.592 20 0 CBADLP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)CCNC(=O)N(C)C ZINC000660166021 420486565 /nfs/dbraw/zinc/48/65/65/420486565.db2.gz OTVVZKHSQKPWAV-GFCCVEGCSA-N 2 2 274.409 -0.110 20 0 CBADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)CCNC(=O)N(C)C ZINC000660166021 420486566 /nfs/dbraw/zinc/48/65/66/420486566.db2.gz OTVVZKHSQKPWAV-GFCCVEGCSA-N 2 2 274.409 -0.110 20 0 CBADLP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)CCNC(=O)N(C)C ZINC000660166021 420486567 /nfs/dbraw/zinc/48/65/67/420486567.db2.gz OTVVZKHSQKPWAV-GFCCVEGCSA-N 2 2 274.409 -0.110 20 0 CBADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)CCNC(=O)N(C)C ZINC000660166021 420486568 /nfs/dbraw/zinc/48/65/68/420486568.db2.gz OTVVZKHSQKPWAV-GFCCVEGCSA-N 2 2 274.409 -0.110 20 0 CBADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCN2CCOC[C@H]2C1 ZINC000660274438 420488008 /nfs/dbraw/zinc/48/80/08/420488008.db2.gz RUNNVJHEEJVBJC-ZIAGYGMSSA-N 2 2 271.405 -0.296 20 0 CBADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCN2CCOC[C@H]2C1 ZINC000660274438 420488010 /nfs/dbraw/zinc/48/80/10/420488010.db2.gz RUNNVJHEEJVBJC-ZIAGYGMSSA-N 2 2 271.405 -0.296 20 0 CBADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000660274438 420488012 /nfs/dbraw/zinc/48/80/12/420488012.db2.gz RUNNVJHEEJVBJC-ZIAGYGMSSA-N 2 2 271.405 -0.296 20 0 CBADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCN2CCOC[C@H]2C1 ZINC000660274438 420488013 /nfs/dbraw/zinc/48/80/13/420488013.db2.gz RUNNVJHEEJVBJC-ZIAGYGMSSA-N 2 2 271.405 -0.296 20 0 CBADLP COC(=O)c1cncnc1NCC[N@H+](C)CCC[NH+](C)C ZINC000596425159 420488572 /nfs/dbraw/zinc/48/85/72/420488572.db2.gz NOHUMFXHQHXJHJ-UHFFFAOYSA-N 2 2 295.387 0.559 20 0 CBADLP COC(=O)c1cncnc1NCC[N@@H+](C)CCC[NH+](C)C ZINC000596425159 420488574 /nfs/dbraw/zinc/48/85/74/420488574.db2.gz NOHUMFXHQHXJHJ-UHFFFAOYSA-N 2 2 295.387 0.559 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N(C)CC1C[NH+](C)C1 ZINC000660344251 420489230 /nfs/dbraw/zinc/48/92/30/420489230.db2.gz FOTYCMDNQRHJNR-LBPRGKRZSA-N 2 2 284.404 -0.090 20 0 CBADLP Cc1ncc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c(N)n1 ZINC000617763728 420497638 /nfs/dbraw/zinc/49/76/38/420497638.db2.gz YTOIEEGMMKEOFW-UHFFFAOYSA-N 2 2 294.403 -0.019 20 0 CBADLP Cc1ncc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)c(N)n1 ZINC000617763728 420497639 /nfs/dbraw/zinc/49/76/39/420497639.db2.gz YTOIEEGMMKEOFW-UHFFFAOYSA-N 2 2 294.403 -0.019 20 0 CBADLP C[C@H](C(=O)N1CC[N@H+](CCO)[C@@H](C)C1)[NH+]1CC(C)C1 ZINC000521066768 260362438 /nfs/dbraw/zinc/36/24/38/260362438.db2.gz OWWFONWGFMWVHE-QWHCGFSZSA-N 2 2 269.389 -0.148 20 0 CBADLP C[C@H](C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1)[NH+]1CC(C)C1 ZINC000521066768 260362439 /nfs/dbraw/zinc/36/24/39/260362439.db2.gz OWWFONWGFMWVHE-QWHCGFSZSA-N 2 2 269.389 -0.148 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000518762788 261361081 /nfs/dbraw/zinc/36/10/81/261361081.db2.gz NZXSDOJHACKJGK-UHFFFAOYSA-N 2 2 298.431 -0.539 20 0 CBADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCC(=O)NC(N)=O ZINC000521029411 262170570 /nfs/dbraw/zinc/17/05/70/262170570.db2.gz DFSWFUJQBXFWFI-WCBMZHEXSA-N 2 2 254.334 -0.356 20 0 CBADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCC(=O)NC(N)=O ZINC000521029411 262170572 /nfs/dbraw/zinc/17/05/72/262170572.db2.gz DFSWFUJQBXFWFI-WCBMZHEXSA-N 2 2 254.334 -0.356 20 0 CBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C[NH2+]C2CC2)[C@@H](C)C1 ZINC000521425831 262327936 /nfs/dbraw/zinc/32/79/36/262327936.db2.gz YPIOMEOSQJGLSQ-NSHDSACASA-N 2 2 283.372 -0.166 20 0 CBADLP COC(=O)CC[N@H+]1CCN(C(=O)C[NH2+]C2CC2)[C@@H](C)C1 ZINC000521425831 262327937 /nfs/dbraw/zinc/32/79/37/262327937.db2.gz YPIOMEOSQJGLSQ-NSHDSACASA-N 2 2 283.372 -0.166 20 0 CBADLP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@@H](C)[NH+]1CCN(C)CC1 ZINC000520409786 265805377 /nfs/dbraw/zinc/80/53/77/265805377.db2.gz XBLQHNUVIRWIML-QJPTWQEYSA-N 2 2 256.394 -0.136 20 0 CBADLP CN(C)c1cc[nH+]c(N(C)C[C@@H](O)C[NH+]2CCOCC2)n1 ZINC000301737221 276890321 /nfs/dbraw/zinc/89/03/21/276890321.db2.gz BTQSPCTWVUJLQE-GFCCVEGCSA-N 2 2 295.387 -0.328 20 0 CBADLP C[N@H+](C[C@H](O)C[NH+]1CC[C@H](n2cncn2)C1)C1CC1 ZINC000685573213 545082092 /nfs/dbraw/zinc/08/20/92/545082092.db2.gz XARNPECZGXCOTE-STQMWFEESA-N 2 2 265.361 -0.020 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH+]1CC[C@H](n2cncn2)C1)C1CC1 ZINC000685573213 545082093 /nfs/dbraw/zinc/08/20/93/545082093.db2.gz XARNPECZGXCOTE-STQMWFEESA-N 2 2 265.361 -0.020 20 0 CBADLP C[NH+](C[C@H](O)C[N@@H+]1CC[C@H](n2cncn2)C1)C1CC1 ZINC000685573213 545082094 /nfs/dbraw/zinc/08/20/94/545082094.db2.gz XARNPECZGXCOTE-STQMWFEESA-N 2 2 265.361 -0.020 20 0 CBADLP C[NH+](C[C@H](O)C[N@H+]1CC[C@H](n2cncn2)C1)C1CC1 ZINC000685573213 545082095 /nfs/dbraw/zinc/08/20/95/545082095.db2.gz XARNPECZGXCOTE-STQMWFEESA-N 2 2 265.361 -0.020 20 0 CBADLP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366485040 277004732 /nfs/dbraw/zinc/00/47/32/277004732.db2.gz VFSYIKBQLPZOBW-GWCFXTLKSA-N 2 2 268.361 -0.142 20 0 CBADLP CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366485040 277004735 /nfs/dbraw/zinc/00/47/35/277004735.db2.gz VFSYIKBQLPZOBW-GWCFXTLKSA-N 2 2 268.361 -0.142 20 0 CBADLP CNC(=O)NC(=O)[C@H](C)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000366485040 277004737 /nfs/dbraw/zinc/00/47/37/277004737.db2.gz VFSYIKBQLPZOBW-GWCFXTLKSA-N 2 2 268.361 -0.142 20 0 CBADLP CNC(=O)NC(=O)[C@H](C)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000366485040 277004738 /nfs/dbraw/zinc/00/47/38/277004738.db2.gz VFSYIKBQLPZOBW-GWCFXTLKSA-N 2 2 268.361 -0.142 20 0 CBADLP CNC(=O)[C@H]1CCC[C@@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000408065331 277013064 /nfs/dbraw/zinc/01/30/64/277013064.db2.gz YMEZZNVQQMXTEO-RYUDHWBXSA-N 2 2 282.388 -0.735 20 0 CBADLP CC(=O)NCC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371626623 277026597 /nfs/dbraw/zinc/02/65/97/277026597.db2.gz CBNAAVRFBZKHGW-AWEZNQCLSA-N 2 2 296.415 -0.251 20 0 CBADLP CC(=O)NCC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371626623 277026598 /nfs/dbraw/zinc/02/65/98/277026598.db2.gz CBNAAVRFBZKHGW-AWEZNQCLSA-N 2 2 296.415 -0.251 20 0 CBADLP CC(=O)N[C@H]1CCCN(C(=O)C[NH2+][C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000424330395 277056923 /nfs/dbraw/zinc/05/69/23/277056923.db2.gz HUOYAYYHDCAZKA-BFHYXJOUSA-N 2 2 296.415 -0.027 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)CC1 ZINC000368974997 277090271 /nfs/dbraw/zinc/09/02/71/277090271.db2.gz PKUTWDCBJKKZHN-SGMGOOAPSA-N 2 2 294.399 -0.654 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)CC1 ZINC000368974997 277090273 /nfs/dbraw/zinc/09/02/73/277090273.db2.gz PKUTWDCBJKKZHN-SGMGOOAPSA-N 2 2 294.399 -0.654 20 0 CBADLP COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1CCn1cc[nH+]c1C ZINC000226577732 277106604 /nfs/dbraw/zinc/10/66/04/277106604.db2.gz WSFMSYWLLDSYFZ-QWRGUYRKSA-N 2 2 253.302 -0.200 20 0 CBADLP COC(=O)[C@@H]1C[C@H](O)C[N@H+]1CCn1cc[nH+]c1C ZINC000226577732 277106606 /nfs/dbraw/zinc/10/66/06/277106606.db2.gz WSFMSYWLLDSYFZ-QWRGUYRKSA-N 2 2 253.302 -0.200 20 0 CBADLP COC(=O)N1CC([NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)C1 ZINC000496315283 277332822 /nfs/dbraw/zinc/33/28/22/277332822.db2.gz WBJHUNAFRGXVMO-UWVGGRQHSA-N 2 2 257.334 -0.206 20 0 CBADLP COC(=O)[C@H]1C[C@H](NC(=O)[C@@H]2CCC[NH2+][C@@H]2C)C[NH2+]1 ZINC000367993015 277407638 /nfs/dbraw/zinc/40/76/38/277407638.db2.gz HUACBLTUKRAKCL-LMLFDSFASA-N 2 2 269.345 -0.606 20 0 CBADLP C[C@@H](C(=O)N[C@@H](C)C[NH+]1CCOCC1)C1C[NH2+]C1 ZINC000163941378 277553264 /nfs/dbraw/zinc/55/32/64/277553264.db2.gz IGSMOMGNNRPPQC-WDEREUQCSA-N 2 2 255.362 -0.321 20 0 CBADLP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)C[NH+](C)C ZINC000378002165 278099859 /nfs/dbraw/zinc/09/98/59/278099859.db2.gz JWVTYRKFZCAVPM-VXGBXAGGSA-N 2 2 255.362 -0.130 20 0 CBADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC000063196169 278313213 /nfs/dbraw/zinc/31/32/13/278313213.db2.gz OTSHJCMUEYXSSU-PWSUYJOCSA-N 2 2 280.372 -0.214 20 0 CBADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC000063196169 278313214 /nfs/dbraw/zinc/31/32/14/278313214.db2.gz OTSHJCMUEYXSSU-PWSUYJOCSA-N 2 2 280.372 -0.214 20 0 CBADLP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC000063196171 278317605 /nfs/dbraw/zinc/31/76/05/278317605.db2.gz OTSHJCMUEYXSSU-ZYHUDNBSSA-N 2 2 280.372 -0.214 20 0 CBADLP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC000063196171 278317606 /nfs/dbraw/zinc/31/76/06/278317606.db2.gz OTSHJCMUEYXSSU-ZYHUDNBSSA-N 2 2 280.372 -0.214 20 0 CBADLP CC(C)(C)NC(=O)C[N@@H+]1CCCN(C(=O)C2C[NH2+]C2)CC1 ZINC000367828720 278357687 /nfs/dbraw/zinc/35/76/87/278357687.db2.gz VXLVBDDHEQVUOM-UHFFFAOYSA-N 2 2 296.415 -0.345 20 0 CBADLP CC(C)(C)NC(=O)C[N@H+]1CCCN(C(=O)C2C[NH2+]C2)CC1 ZINC000367828720 278357689 /nfs/dbraw/zinc/35/76/89/278357689.db2.gz VXLVBDDHEQVUOM-UHFFFAOYSA-N 2 2 296.415 -0.345 20 0 CBADLP C[C@H]1CN(C(=O)C(C)(C)[NH3+])C[C@@H]1[NH+]1CCOCC1 ZINC000262661446 278395392 /nfs/dbraw/zinc/39/53/92/278395392.db2.gz YFHYPHBNEZNULH-QWRGUYRKSA-N 2 2 255.362 -0.097 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC2(COC(=O)N2)CC1 ZINC000496400500 279033556 /nfs/dbraw/zinc/03/35/56/279033556.db2.gz QSLIZIBZASYLAW-LLVKDONJSA-N 2 2 271.361 -0.127 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC2(COC(=O)N2)CC1 ZINC000496400500 279033559 /nfs/dbraw/zinc/03/35/59/279033559.db2.gz QSLIZIBZASYLAW-LLVKDONJSA-N 2 2 271.361 -0.127 20 0 CBADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1COCC[NH2+]1 ZINC000373039741 288121673 /nfs/dbraw/zinc/12/16/73/288121673.db2.gz MGABTQOBVAUHNA-USWWRNFRSA-N 2 2 253.346 -0.426 20 0 CBADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1COCC[NH2+]1 ZINC000373039741 288121674 /nfs/dbraw/zinc/12/16/74/288121674.db2.gz MGABTQOBVAUHNA-USWWRNFRSA-N 2 2 253.346 -0.426 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCCN(C)C(=O)C2)CC1 ZINC000191119854 279346137 /nfs/dbraw/zinc/34/61/37/279346137.db2.gz COZCHPLIUNOIOW-ZDUSSCGKSA-N 2 2 296.415 -0.297 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCCN(C)C(=O)C2)CC1 ZINC000191119854 279346140 /nfs/dbraw/zinc/34/61/40/279346140.db2.gz COZCHPLIUNOIOW-ZDUSSCGKSA-N 2 2 296.415 -0.297 20 0 CBADLP C[C@@H]1C[N@@H+](CCCNC(=O)[C@@H]2[NH2+]CCO[C@@H]2C)C[C@H](C)O1 ZINC000344475141 288163527 /nfs/dbraw/zinc/16/35/27/288163527.db2.gz PWKYFMNUDUNDAR-XJFOESAGSA-N 2 2 299.415 -0.021 20 0 CBADLP C[C@@H]1C[N@H+](CCCNC(=O)[C@@H]2[NH2+]CCO[C@@H]2C)C[C@H](C)O1 ZINC000344475141 288163528 /nfs/dbraw/zinc/16/35/28/288163528.db2.gz PWKYFMNUDUNDAR-XJFOESAGSA-N 2 2 299.415 -0.021 20 0 CBADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000410699191 280008292 /nfs/dbraw/zinc/00/82/92/280008292.db2.gz PIXXVCZHWSZXHV-ZDUSSCGKSA-N 2 2 296.415 -0.441 20 0 CBADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000410699191 280008294 /nfs/dbraw/zinc/00/82/94/280008294.db2.gz PIXXVCZHWSZXHV-ZDUSSCGKSA-N 2 2 296.415 -0.441 20 0 CBADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CC[NH2+]CC1 ZINC000423365275 280008581 /nfs/dbraw/zinc/00/85/81/280008581.db2.gz WLIRPLHJZIEQOK-LBPRGKRZSA-N 2 2 282.388 -0.783 20 0 CBADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CC[NH2+]CC1 ZINC000423365275 280008585 /nfs/dbraw/zinc/00/85/85/280008585.db2.gz WLIRPLHJZIEQOK-LBPRGKRZSA-N 2 2 282.388 -0.783 20 0 CBADLP CC[C@@H](C(=O)NC[C@@H]1C[NH+]2CCN1CC2)[NH+](C)C ZINC000178974750 280078028 /nfs/dbraw/zinc/07/80/28/280078028.db2.gz DGZSZJXUXXIQEV-NEPJUHHUSA-N 2 2 254.378 -0.557 20 0 CBADLP CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC000037819278 280116779 /nfs/dbraw/zinc/11/67/79/280116779.db2.gz ZNORKQQZFVCOEN-TZMCWYRMSA-N 2 2 298.431 -0.018 20 0 CBADLP CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC000037819278 280116781 /nfs/dbraw/zinc/11/67/81/280116781.db2.gz ZNORKQQZFVCOEN-TZMCWYRMSA-N 2 2 298.431 -0.018 20 0 CBADLP C[C@]1(C[N@@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)CC[NH2+]C1 ZINC000262080936 280154970 /nfs/dbraw/zinc/15/49/70/280154970.db2.gz TVIGWBCNMFAKKP-CABZTGNLSA-N 2 2 252.318 -0.778 20 0 CBADLP C[C@]1(C[N@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)CC[NH2+]C1 ZINC000262080936 280154972 /nfs/dbraw/zinc/15/49/72/280154972.db2.gz TVIGWBCNMFAKKP-CABZTGNLSA-N 2 2 252.318 -0.778 20 0 CBADLP O=C1NC(=O)N2CC[N@H+](C[C@@H]3CCC[NH2+]C3)C[C@@H]12 ZINC000346979006 280279038 /nfs/dbraw/zinc/27/90/38/280279038.db2.gz LNZPBSFHKYCHBX-ZJUUUORDSA-N 2 2 252.318 -0.778 20 0 CBADLP O=C1NC(=O)N2CC[N@@H+](C[C@@H]3CCC[NH2+]C3)C[C@@H]12 ZINC000346979006 280279040 /nfs/dbraw/zinc/27/90/40/280279040.db2.gz LNZPBSFHKYCHBX-ZJUUUORDSA-N 2 2 252.318 -0.778 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C[C@H]1CSCC[NH2+]1 ZINC000434876814 288347116 /nfs/dbraw/zinc/34/71/16/288347116.db2.gz KOXHYNHOJYEKBL-NEPJUHHUSA-N 2 2 287.429 -0.082 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C[C@H]1CSCC[NH2+]1 ZINC000434876814 288347117 /nfs/dbraw/zinc/34/71/17/288347117.db2.gz KOXHYNHOJYEKBL-NEPJUHHUSA-N 2 2 287.429 -0.082 20 0 CBADLP C[NH+](C)CC(=O)N1CC[NH+](C[C@H](O)C(F)(F)F)CC1 ZINC000121045198 282056219 /nfs/dbraw/zinc/05/62/19/282056219.db2.gz QHOOWUMSPOPXAL-VIFPVBQESA-N 2 2 283.294 -0.385 20 0 CBADLP C[NH+](C)CC1(NC(=O)[C@H]2C[N@H+](C)CCO2)CCC1 ZINC000339406166 282078172 /nfs/dbraw/zinc/07/81/72/282078172.db2.gz FOWSIVZVBBCVFJ-LLVKDONJSA-N 2 2 255.362 -0.083 20 0 CBADLP C[NH+](C)CC1(NC(=O)[C@H]2C[N@@H+](C)CCO2)CCC1 ZINC000339406166 282078174 /nfs/dbraw/zinc/07/81/74/282078174.db2.gz FOWSIVZVBBCVFJ-LLVKDONJSA-N 2 2 255.362 -0.083 20 0 CBADLP C[NH+](C)C1CCN(C[C@H](O)C[NH+]2CCOCC2)CC1 ZINC000193811270 289070165 /nfs/dbraw/zinc/07/01/65/289070165.db2.gz UFUVRSIQBVZRPF-AWEZNQCLSA-N 2 2 271.405 -0.295 20 0 CBADLP C[NH+](C)C1CC[NH+](C[C@H](O)CN2CCOCC2)CC1 ZINC000193811270 289070169 /nfs/dbraw/zinc/07/01/69/289070169.db2.gz UFUVRSIQBVZRPF-AWEZNQCLSA-N 2 2 271.405 -0.295 20 0 CBADLP C[C@@]1(C[N@@H+]2CCC[C@@H](S(N)(=O)=O)C2)CC[NH2+]C1 ZINC000261992903 289164036 /nfs/dbraw/zinc/16/40/36/289164036.db2.gz KLPSPZATKRVDRF-GHMZBOCLSA-N 2 2 261.391 -0.261 20 0 CBADLP C[C@@]1(C[N@H+]2CCC[C@@H](S(N)(=O)=O)C2)CC[NH2+]C1 ZINC000261992903 289164039 /nfs/dbraw/zinc/16/40/39/289164039.db2.gz KLPSPZATKRVDRF-GHMZBOCLSA-N 2 2 261.391 -0.261 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000085360174 289618428 /nfs/dbraw/zinc/61/84/28/289618428.db2.gz FLOTZNUWEUOGNS-UTUOFQBUSA-N 2 2 255.362 -0.049 20 0 CBADLP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000423678390 289789406 /nfs/dbraw/zinc/78/94/06/289789406.db2.gz KZCOOSWEBUEBQC-NWDGAFQWSA-N 2 2 282.388 -0.511 20 0 CBADLP C[C@H](O)C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000346579336 290065691 /nfs/dbraw/zinc/06/56/91/290065691.db2.gz TYQAAHHACJAETH-NEPJUHHUSA-N 2 2 269.389 -0.006 20 0 CBADLP C[C@H](O)C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000346579336 290065693 /nfs/dbraw/zinc/06/56/93/290065693.db2.gz TYQAAHHACJAETH-NEPJUHHUSA-N 2 2 269.389 -0.006 20 0 CBADLP C[C@@H]1C[N@H+](C[C@@H]2CCC[NH2+]C2)CCN1S(C)(=O)=O ZINC000346973998 297019975 /nfs/dbraw/zinc/01/99/75/297019975.db2.gz IQDRKZCGJWYRNB-VXGBXAGGSA-N 2 2 275.418 -0.048 20 0 CBADLP C[C@@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)CCN1S(C)(=O)=O ZINC000346973998 297019978 /nfs/dbraw/zinc/01/99/78/297019978.db2.gz IQDRKZCGJWYRNB-VXGBXAGGSA-N 2 2 275.418 -0.048 20 0 CBADLP Cn1cc[nH+]c1[C@H]1CN(C(=O)[C@@H]2COCC[NH2+]2)CCN1C ZINC000424169522 294433294 /nfs/dbraw/zinc/43/32/94/294433294.db2.gz JTCWQUGCHXQGLR-NWDGAFQWSA-N 2 2 293.371 -0.776 20 0 CBADLP [NH3+][C@H]1C[C@H]2C[N@H+](CCOCC(F)(F)F)CCN2C1=O ZINC000515071604 295343044 /nfs/dbraw/zinc/34/30/44/295343044.db2.gz BBSCOHBDIZVHLJ-IUCAKERBSA-N 2 2 281.278 -0.191 20 0 CBADLP [NH3+][C@H]1C[C@H]2C[N@@H+](CCOCC(F)(F)F)CCN2C1=O ZINC000515071604 295343047 /nfs/dbraw/zinc/34/30/47/295343047.db2.gz BBSCOHBDIZVHLJ-IUCAKERBSA-N 2 2 281.278 -0.191 20 0 CBADLP O=C(C[NH2+]C[C@H]1CCCO1)NCCc1[nH]cc[nH+]1 ZINC000430727278 295519964 /nfs/dbraw/zinc/51/99/64/295519964.db2.gz GYTLTWMYMOWGCO-SNVBAGLBSA-N 2 2 252.318 -0.163 20 0 CBADLP C[C@@H]1C[C@H](C)[N@H+](CC(=O)N2CCNC(=O)C2)C[C@@H]1C[NH3+] ZINC000422637812 297366871 /nfs/dbraw/zinc/36/68/71/297366871.db2.gz PHTHCNURAKLXHT-WOPDTQHZSA-N 2 2 282.388 -0.750 20 0 CBADLP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)N2CCNC(=O)C2)C[C@@H]1C[NH3+] ZINC000422637812 297366872 /nfs/dbraw/zinc/36/68/72/297366872.db2.gz PHTHCNURAKLXHT-WOPDTQHZSA-N 2 2 282.388 -0.750 20 0 CBADLP C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359294296 298123419 /nfs/dbraw/zinc/12/34/19/298123419.db2.gz BOIJZNBLBSBQHD-BBBLOLIVSA-N 2 2 266.345 -0.486 20 0 CBADLP C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359294296 298123421 /nfs/dbraw/zinc/12/34/21/298123421.db2.gz BOIJZNBLBSBQHD-BBBLOLIVSA-N 2 2 266.345 -0.486 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000139975427 298134618 /nfs/dbraw/zinc/13/46/18/298134618.db2.gz HIJMLOSALDZLHX-GMTAPVOTSA-N 2 2 268.361 -0.014 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000139975427 298134620 /nfs/dbraw/zinc/13/46/20/298134620.db2.gz HIJMLOSALDZLHX-GMTAPVOTSA-N 2 2 268.361 -0.014 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000139975427 298134621 /nfs/dbraw/zinc/13/46/21/298134621.db2.gz HIJMLOSALDZLHX-GMTAPVOTSA-N 2 2 268.361 -0.014 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000139975427 298134623 /nfs/dbraw/zinc/13/46/23/298134623.db2.gz HIJMLOSALDZLHX-GMTAPVOTSA-N 2 2 268.361 -0.014 20 0 CBADLP C[C@H](NC(=O)C[N@H+](C)[C@H]1CCC[NH2+]CC1)C(=O)N(C)C ZINC000435621217 299049444 /nfs/dbraw/zinc/04/94/44/299049444.db2.gz JTFYYZUDLSJGRG-RYUDHWBXSA-N 2 2 284.404 -0.347 20 0 CBADLP C[C@H](NC(=O)C[N@@H+](C)[C@H]1CCC[NH2+]CC1)C(=O)N(C)C ZINC000435621217 299049447 /nfs/dbraw/zinc/04/94/47/299049447.db2.gz JTFYYZUDLSJGRG-RYUDHWBXSA-N 2 2 284.404 -0.347 20 0 CBADLP C[C@H](NC(=O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C(=O)N(C)C ZINC000357082787 299055025 /nfs/dbraw/zinc/05/50/25/299055025.db2.gz PHKHKYAANQTLHH-QJPTWQEYSA-N 2 2 282.388 -0.879 20 0 CBADLP C[C@H](NC(=O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C(=O)N(C)C ZINC000357082787 299055026 /nfs/dbraw/zinc/05/50/26/299055026.db2.gz PHKHKYAANQTLHH-QJPTWQEYSA-N 2 2 282.388 -0.879 20 0 CBADLP C[C@H](NC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C)C(=O)N(C)C ZINC000422640406 299057480 /nfs/dbraw/zinc/05/74/80/299057480.db2.gz VKWABWKBKXOVCM-VOAKCMCISA-N 2 2 298.431 -0.116 20 0 CBADLP C[C@H](NC(=O)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C)C(=O)N(C)C ZINC000422640406 299057483 /nfs/dbraw/zinc/05/74/83/299057483.db2.gz VKWABWKBKXOVCM-VOAKCMCISA-N 2 2 298.431 -0.116 20 0 CBADLP C[C@H]1CC[NH2+][C@H](C(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)C1 ZINC000423427533 300004568 /nfs/dbraw/zinc/00/45/68/300004568.db2.gz FVTXPNBGQKEAMG-RYUDHWBXSA-N 2 2 296.415 -0.217 20 0 CBADLP O=C(CC[C@@H]1CCC[NH2+]1)NCC[NH+]1CCOCC1 ZINC000261568851 303587704 /nfs/dbraw/zinc/58/77/04/303587704.db2.gz JNGSZODFFFAJQX-LBPRGKRZSA-N 2 2 255.362 -0.033 20 0 CBADLP [NH3+]CCCCn1cc(C(=O)Nc2cc[nH+]cc2O)nn1 ZINC000570713739 327613484 /nfs/dbraw/zinc/61/34/84/327613484.db2.gz WPYXFNYBJZAZJC-UHFFFAOYSA-N 2 2 276.300 -0.208 20 0 CBADLP C[NH2+]C[C@@](C)(O)CN1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000574921986 327642260 /nfs/dbraw/zinc/64/22/60/327642260.db2.gz YHNYMNVBDQDVOC-CQSZACIVSA-N 2 2 281.404 -0.492 20 0 CBADLP O=C(C[NH2+]C1CC1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000563070301 327877005 /nfs/dbraw/zinc/87/70/05/327877005.db2.gz WRUXLHQQEGNPMP-UHFFFAOYSA-N 2 2 263.345 -0.194 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000563349212 328056882 /nfs/dbraw/zinc/05/68/82/328056882.db2.gz FGEHMYZWIZURGT-HIFRSBDPSA-N 2 2 299.415 -0.472 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000563349212 328056884 /nfs/dbraw/zinc/05/68/84/328056884.db2.gz FGEHMYZWIZURGT-HIFRSBDPSA-N 2 2 299.415 -0.472 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000563349212 328056885 /nfs/dbraw/zinc/05/68/85/328056885.db2.gz FGEHMYZWIZURGT-HIFRSBDPSA-N 2 2 299.415 -0.472 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000563349212 328056887 /nfs/dbraw/zinc/05/68/87/328056887.db2.gz FGEHMYZWIZURGT-HIFRSBDPSA-N 2 2 299.415 -0.472 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC000563375097 328058388 /nfs/dbraw/zinc/05/83/88/328058388.db2.gz ALUPTSDVPASMPI-CYBMUJFWSA-N 2 2 296.415 -0.392 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000563375097 328058389 /nfs/dbraw/zinc/05/83/89/328058389.db2.gz ALUPTSDVPASMPI-CYBMUJFWSA-N 2 2 296.415 -0.392 20 0 CBADLP CC[C@@H]1C[N@H+](CCNC(=O)N[C@H]2CC[NH2+]C2)CCO1 ZINC000563454374 328067515 /nfs/dbraw/zinc/06/75/15/328067515.db2.gz QRPKIEDUGBHCMS-NWDGAFQWSA-N 2 2 270.377 -0.242 20 0 CBADLP CC[C@@H]1C[N@@H+](CCNC(=O)N[C@H]2CC[NH2+]C2)CCO1 ZINC000563454374 328067517 /nfs/dbraw/zinc/06/75/17/328067517.db2.gz QRPKIEDUGBHCMS-NWDGAFQWSA-N 2 2 270.377 -0.242 20 0 CBADLP C[N@@H+]1CCN(C(=O)NCCNC(=O)C(C)(C)C)[C@@H](C[NH3+])C1 ZINC000571268373 328096317 /nfs/dbraw/zinc/09/63/17/328096317.db2.gz FKTHELJSICIBRJ-NSHDSACASA-N 2 2 299.419 -0.567 20 0 CBADLP C[N@H+]1CCN(C(=O)NCCNC(=O)C(C)(C)C)[C@@H](C[NH3+])C1 ZINC000571268373 328096318 /nfs/dbraw/zinc/09/63/18/328096318.db2.gz FKTHELJSICIBRJ-NSHDSACASA-N 2 2 299.419 -0.567 20 0 CBADLP C[NH2+]C[C@H](O)C[NH2+]CCS(=O)(=O)c1ccc(F)cc1 ZINC000571642113 328168785 /nfs/dbraw/zinc/16/87/85/328168785.db2.gz GFHLEJTXOHQMLV-NSHDSACASA-N 2 2 290.360 -0.231 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CCN(S(C)(=O)=O)C1 ZINC000575321744 335093420 /nfs/dbraw/zinc/09/34/20/335093420.db2.gz HWOVGDQCJQMODE-VWYCJHECSA-N 2 2 261.391 -0.440 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CCN(S(C)(=O)=O)C1 ZINC000575321744 335093422 /nfs/dbraw/zinc/09/34/22/335093422.db2.gz HWOVGDQCJQMODE-VWYCJHECSA-N 2 2 261.391 -0.440 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H]1CCN(S(C)(=O)=O)C1 ZINC000575321741 335093479 /nfs/dbraw/zinc/09/34/79/335093479.db2.gz HWOVGDQCJQMODE-GMTAPVOTSA-N 2 2 261.391 -0.440 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H]1CCN(S(C)(=O)=O)C1 ZINC000575321741 335093481 /nfs/dbraw/zinc/09/34/81/335093481.db2.gz HWOVGDQCJQMODE-GMTAPVOTSA-N 2 2 261.391 -0.440 20 0 CBADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CCNC(=O)C2CC2)C[C@@H](C)O1 ZINC000564846581 327010891 /nfs/dbraw/zinc/01/08/91/327010891.db2.gz PVYVWKVLFFQHRA-YRGRVCCFSA-N 2 2 299.415 -0.428 20 0 CBADLP C[N@H+]1CC=C(CNC(=O)NCC[NH+]2CCOCC2)CC1 ZINC000557618376 327016452 /nfs/dbraw/zinc/01/64/52/327016452.db2.gz JMCGKLAROYEYDF-UHFFFAOYSA-N 2 2 282.388 -0.120 20 0 CBADLP C[N@@H+]1CC=C(CNC(=O)NCC[NH+]2CCOCC2)CC1 ZINC000557618376 327016454 /nfs/dbraw/zinc/01/64/54/327016454.db2.gz JMCGKLAROYEYDF-UHFFFAOYSA-N 2 2 282.388 -0.120 20 0 CBADLP C[C@@H]1C[N@@H+](CCC(=O)N2CC[NH2+]CC2)C[C@H](C)N1 ZINC000576636979 327036729 /nfs/dbraw/zinc/03/67/29/327036729.db2.gz NKGAOYPADQUFHY-TXEJJXNPSA-N 2 2 254.378 -0.510 20 0 CBADLP C[C@@H]1C[N@H+](CCC(=O)N2CC[NH2+]CC2)C[C@H](C)N1 ZINC000576636979 327036730 /nfs/dbraw/zinc/03/67/30/327036730.db2.gz NKGAOYPADQUFHY-TXEJJXNPSA-N 2 2 254.378 -0.510 20 0 CBADLP C[C@@H]1C[NH+](CCC(=O)N2CC[NH2+]CC2)C[C@@H](C)N1 ZINC000576636980 327036771 /nfs/dbraw/zinc/03/67/71/327036771.db2.gz NKGAOYPADQUFHY-VXGBXAGGSA-N 2 2 254.378 -0.510 20 0 CBADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)C[NH+]1CCOCC1 ZINC000569167491 327039098 /nfs/dbraw/zinc/03/90/98/327039098.db2.gz BEQRPSSBUUZANM-LBPRGKRZSA-N 2 2 266.345 -0.032 20 0 CBADLP [NH3+][C@H]1C[C@@H]2C[N@H+](CC(=O)NCC3CCC3)CCN2C1=O ZINC000573339724 327137626 /nfs/dbraw/zinc/13/76/26/327137626.db2.gz VOUJDCDLAYBWKB-NEPJUHHUSA-N 2 2 280.372 -0.854 20 0 CBADLP [NH3+][C@H]1C[C@@H]2C[N@@H+](CC(=O)NCC3CCC3)CCN2C1=O ZINC000573339724 327137628 /nfs/dbraw/zinc/13/76/28/327137628.db2.gz VOUJDCDLAYBWKB-NEPJUHHUSA-N 2 2 280.372 -0.854 20 0 CBADLP C[N@H+](C[C@H](O)C[NH3+])C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000582122804 327220101 /nfs/dbraw/zinc/22/01/01/327220101.db2.gz ASLLSKZPAWNXCI-RDBSUJKOSA-N 3 2 267.373 -0.831 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH3+])C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000582122804 327220102 /nfs/dbraw/zinc/22/01/02/327220102.db2.gz ASLLSKZPAWNXCI-RDBSUJKOSA-N 3 2 267.373 -0.831 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)C[C@H]2CCC[NH2+]2)CCO1 ZINC000566286442 327287977 /nfs/dbraw/zinc/28/79/77/327287977.db2.gz NMWAOMDRXYHQFT-VXGBXAGGSA-N 2 2 255.362 -0.035 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)C[C@H]2CCC[NH2+]2)CCO1 ZINC000566286442 327287978 /nfs/dbraw/zinc/28/79/78/327287978.db2.gz NMWAOMDRXYHQFT-VXGBXAGGSA-N 2 2 255.362 -0.035 20 0 CBADLP C[NH+](C)C[C@@H](O)C[NH2+]C[C@@H](O)COc1ccccc1 ZINC000578070167 327298167 /nfs/dbraw/zinc/29/81/67/327298167.db2.gz JYGBLBYBKAAFHM-QWHCGFSZSA-N 2 2 268.357 -0.062 20 0 CBADLP O=C(NCCc1[nH]cc[nH+]1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000560333807 327300136 /nfs/dbraw/zinc/30/01/36/327300136.db2.gz IKCKEVWQOYSQDO-NSHDSACASA-N 2 2 263.345 -0.542 20 0 CBADLP O=C(NCCc1[nH]cc[nH+]1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000560333807 327300138 /nfs/dbraw/zinc/30/01/38/327300138.db2.gz IKCKEVWQOYSQDO-NSHDSACASA-N 2 2 263.345 -0.542 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000574530247 327343731 /nfs/dbraw/zinc/34/37/31/327343731.db2.gz VNBFKYYIYYLDTE-NWDGAFQWSA-N 2 2 293.433 -0.701 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000574530247 327343732 /nfs/dbraw/zinc/34/37/32/327343732.db2.gz VNBFKYYIYYLDTE-NWDGAFQWSA-N 2 2 293.433 -0.701 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000574530247 327343733 /nfs/dbraw/zinc/34/37/33/327343733.db2.gz VNBFKYYIYYLDTE-NWDGAFQWSA-N 2 2 293.433 -0.701 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000574530247 327343734 /nfs/dbraw/zinc/34/37/34/327343734.db2.gz VNBFKYYIYYLDTE-NWDGAFQWSA-N 2 2 293.433 -0.701 20 0 CBADLP C[C@H](CC(=O)NCC(=O)N1CC[NH2+]CC1)n1cc[nH+]c1 ZINC000570578080 327601362 /nfs/dbraw/zinc/60/13/62/327601362.db2.gz MKBVUVRAQXYWBI-LLVKDONJSA-N 2 2 279.344 -0.618 20 0 CBADLP O=C(Nc1ccc2[nH+]ccn2c1)C(=O)NC1C[NH2+]C1 ZINC000570646159 327608293 /nfs/dbraw/zinc/60/82/93/327608293.db2.gz FKJLBUPBNBFOOB-UHFFFAOYSA-N 2 2 259.269 -0.639 20 0 CBADLP CO[C@H]1C[NH2+][C@@H](C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000583633720 328723566 /nfs/dbraw/zinc/72/35/66/328723566.db2.gz STKMIHCYTVUZQQ-UMSGYPCISA-N 2 2 285.388 -0.411 20 0 CBADLP CO[C@H]1C[NH2+][C@@H](C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)C1 ZINC000583633722 328723688 /nfs/dbraw/zinc/72/36/88/328723688.db2.gz STKMIHCYTVUZQQ-YVECIDJPSA-N 2 2 285.388 -0.411 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCSC[C@H]1CCO ZINC000583211867 329368171 /nfs/dbraw/zinc/36/81/71/329368171.db2.gz GCBIJTDGRCXREW-OLZOCXBDSA-N 2 2 292.445 -0.275 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCSC[C@H]1CCO ZINC000583211867 329368173 /nfs/dbraw/zinc/36/81/73/329368173.db2.gz GCBIJTDGRCXREW-OLZOCXBDSA-N 2 2 292.445 -0.275 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCSC[C@H]1CCO ZINC000583211867 329368174 /nfs/dbraw/zinc/36/81/74/329368174.db2.gz GCBIJTDGRCXREW-OLZOCXBDSA-N 2 2 292.445 -0.275 20 0 CBADLP NC(=O)NC(=O)CC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000583212741 329368726 /nfs/dbraw/zinc/36/87/26/329368726.db2.gz UZJGSGUVPGOGLU-UHFFFAOYSA-N 2 2 266.305 -0.883 20 0 CBADLP O=C(NC1C[NH2+]C1)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000571898621 329928847 /nfs/dbraw/zinc/92/88/47/329928847.db2.gz BBCADXXSMOHCDQ-JTQLQIEISA-N 2 2 277.328 -0.449 20 0 CBADLP C[N@@H+]1CCN(C(=O)CC[C@@H]2CCOC2)[C@@H](C[NH3+])C1 ZINC000162505855 330063162 /nfs/dbraw/zinc/06/31/62/330063162.db2.gz DMKRHDZCCHKNLT-NEPJUHHUSA-N 2 2 255.362 -0.096 20 0 CBADLP C[N@H+]1CCN(C(=O)CC[C@@H]2CCOC2)[C@@H](C[NH3+])C1 ZINC000162505855 330063164 /nfs/dbraw/zinc/06/31/64/330063164.db2.gz DMKRHDZCCHKNLT-NEPJUHHUSA-N 2 2 255.362 -0.096 20 0 CBADLP [NH3+]C[C@@H]1CN(CCC[NH+]2CCOCC2)CCCO1 ZINC000572410379 330064499 /nfs/dbraw/zinc/06/44/99/330064499.db2.gz YHCNWGMBXUNHJO-CYBMUJFWSA-N 2 2 257.378 -0.242 20 0 CBADLP C[N@@H+]1CCN(C(=O)COC[C@@H]2CCOC2)[C@@H](C[NH3+])C1 ZINC000162696160 330108417 /nfs/dbraw/zinc/10/84/17/330108417.db2.gz BCZZOQFVFVOSHL-NEPJUHHUSA-N 2 2 271.361 -0.859 20 0 CBADLP C[N@H+]1CCN(C(=O)COC[C@@H]2CCOC2)[C@@H](C[NH3+])C1 ZINC000162696160 330108419 /nfs/dbraw/zinc/10/84/19/330108419.db2.gz BCZZOQFVFVOSHL-NEPJUHHUSA-N 2 2 271.361 -0.859 20 0 CBADLP CCn1cc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cn1 ZINC000575430961 335103457 /nfs/dbraw/zinc/10/34/57/335103457.db2.gz QABJKZDRFIDMPT-NEPJUHHUSA-N 2 2 263.345 -0.353 20 0 CBADLP CCn1cc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cn1 ZINC000575430961 335103458 /nfs/dbraw/zinc/10/34/58/335103458.db2.gz QABJKZDRFIDMPT-NEPJUHHUSA-N 2 2 263.345 -0.353 20 0 CBADLP C[N@@H+]1CCN(C(=O)CCOCC2CC2)[C@@H](C[NH3+])C1 ZINC000575399737 335100456 /nfs/dbraw/zinc/10/04/56/335100456.db2.gz SVAUOUYCSBHGTA-LBPRGKRZSA-N 2 2 255.362 -0.096 20 0 CBADLP C[N@H+]1CCN(C(=O)CCOCC2CC2)[C@@H](C[NH3+])C1 ZINC000575399737 335100457 /nfs/dbraw/zinc/10/04/57/335100457.db2.gz SVAUOUYCSBHGTA-LBPRGKRZSA-N 2 2 255.362 -0.096 20 0 CBADLP CCn1cc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cn1 ZINC000575430964 335103663 /nfs/dbraw/zinc/10/36/63/335103663.db2.gz QABJKZDRFIDMPT-VXGBXAGGSA-N 2 2 263.345 -0.353 20 0 CBADLP CCn1cc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cn1 ZINC000575430964 335103664 /nfs/dbraw/zinc/10/36/64/335103664.db2.gz QABJKZDRFIDMPT-VXGBXAGGSA-N 2 2 263.345 -0.353 20 0 CBADLP C[C@@H](C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C)[NH+]1CCN(C)CC1 ZINC000575803777 335116966 /nfs/dbraw/zinc/11/69/66/335116966.db2.gz FUUSXAVUFAQHOS-AGIUHOORSA-N 2 2 268.405 -0.169 20 0 CBADLP C[N@@H+]1CCC[C@H]2CN(C(=O)CN3CC[NH2+]CC3=O)CC[C@H]21 ZINC000572518198 333048135 /nfs/dbraw/zinc/04/81/35/333048135.db2.gz DHULAVOLMRGFCU-QWHCGFSZSA-N 2 2 294.399 -0.639 20 0 CBADLP C[N@H+]1CCC[C@H]2CN(C(=O)CN3CC[NH2+]CC3=O)CC[C@H]21 ZINC000572518198 333048136 /nfs/dbraw/zinc/04/81/36/333048136.db2.gz DHULAVOLMRGFCU-QWHCGFSZSA-N 2 2 294.399 -0.639 20 0 CBADLP Cc1noc(CC[NH2+]C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000575916540 335130586 /nfs/dbraw/zinc/13/05/86/335130586.db2.gz MOSTZZNBYHILHM-LOWVWBTDSA-N 2 2 298.387 -0.020 20 0 CBADLP Cc1noc(CC[NH2+]C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000575916540 335130587 /nfs/dbraw/zinc/13/05/87/335130587.db2.gz MOSTZZNBYHILHM-LOWVWBTDSA-N 2 2 298.387 -0.020 20 0 CBADLP CN(CC[NH+](C)C)C(=O)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000576003831 335140887 /nfs/dbraw/zinc/14/08/87/335140887.db2.gz GHINPDOMYFMHOO-UHFFFAOYSA-N 2 2 267.333 -0.612 20 0 CBADLP CN(CC[NH+](C)C)C(=O)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000576003831 335140888 /nfs/dbraw/zinc/14/08/88/335140888.db2.gz GHINPDOMYFMHOO-UHFFFAOYSA-N 2 2 267.333 -0.612 20 0 CBADLP CC[NH+](CC)C[C@H](C)NC[C@H](O)C[NH+]1CCN(C)CC1 ZINC000576220066 335172383 /nfs/dbraw/zinc/17/23/83/335172383.db2.gz BRYZDSNVPWBRIL-GJZGRUSLSA-N 2 2 286.464 -0.085 20 0 CBADLP CC[NH+](CC)C[C@H](C)NC[C@H](O)CN1CC[NH+](C)CC1 ZINC000576220066 335172384 /nfs/dbraw/zinc/17/23/84/335172384.db2.gz BRYZDSNVPWBRIL-GJZGRUSLSA-N 2 2 286.464 -0.085 20 0 CBADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CCc2ncn(C)n2)C[C@@H](C)O1 ZINC000564722025 334518052 /nfs/dbraw/zinc/51/80/52/334518052.db2.gz IBMYRXVPNLMGFH-UPJWGTAASA-N 2 2 297.403 -0.583 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000567972829 334780108 /nfs/dbraw/zinc/78/01/08/334780108.db2.gz UCTGATXJUSFTBG-TXEJJXNPSA-N 2 2 268.361 -0.996 20 0 CBADLP C[N@H+](C[C@@H](O)CNCC[NH+]1CCCOCC1)C1CC1 ZINC000576393176 335197568 /nfs/dbraw/zinc/19/75/68/335197568.db2.gz WCMJCJDIAOOZGP-AWEZNQCLSA-N 2 2 271.405 -0.247 20 0 CBADLP C[N@@H+](C[C@@H](O)CNCC[NH+]1CCCOCC1)C1CC1 ZINC000576393176 335197569 /nfs/dbraw/zinc/19/75/69/335197569.db2.gz WCMJCJDIAOOZGP-AWEZNQCLSA-N 2 2 271.405 -0.247 20 0 CBADLP C[NH+](C[C@@H](O)CNCC[N@@H+]1CCCOCC1)C1CC1 ZINC000576393176 335197570 /nfs/dbraw/zinc/19/75/70/335197570.db2.gz WCMJCJDIAOOZGP-AWEZNQCLSA-N 2 2 271.405 -0.247 20 0 CBADLP C[NH+](C[C@@H](O)CNCC[N@H+]1CCCOCC1)C1CC1 ZINC000576393176 335197571 /nfs/dbraw/zinc/19/75/71/335197571.db2.gz WCMJCJDIAOOZGP-AWEZNQCLSA-N 2 2 271.405 -0.247 20 0 CBADLP C[N@H+](C[C@@H](O)C[NH2+]CCN1CCCOCC1)C1CC1 ZINC000576393176 335197572 /nfs/dbraw/zinc/19/75/72/335197572.db2.gz WCMJCJDIAOOZGP-AWEZNQCLSA-N 2 2 271.405 -0.247 20 0 CBADLP C[N@@H+](C[C@@H](O)C[NH2+]CCN1CCCOCC1)C1CC1 ZINC000576393176 335197573 /nfs/dbraw/zinc/19/75/73/335197573.db2.gz WCMJCJDIAOOZGP-AWEZNQCLSA-N 2 2 271.405 -0.247 20 0 CBADLP C1C[C@@H]([C@H]2COCC[NH2+]2)[C@@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000576399517 335198855 /nfs/dbraw/zinc/19/88/55/335198855.db2.gz MUEVPHQCOWDXRZ-WCQYUDONSA-N 3 2 251.374 -0.049 20 0 CBADLP C[NH2+][C@@H](C)C(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000576597620 335224702 /nfs/dbraw/zinc/22/47/02/335224702.db2.gz XDOLOBILBVUVPR-NSHDSACASA-N 2 2 265.361 -0.328 20 0 CBADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000576640111 335229406 /nfs/dbraw/zinc/22/94/06/335229406.db2.gz PNNBMILIBQSFJT-SDDRHHMPSA-N 2 2 294.399 -0.465 20 0 CBADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000576640114 335229476 /nfs/dbraw/zinc/22/94/76/335229476.db2.gz PNNBMILIBQSFJT-UTUOFQBUSA-N 2 2 294.399 -0.465 20 0 CBADLP CC[C@@H](C)NC(=O)CCNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000576807513 335249733 /nfs/dbraw/zinc/24/97/33/335249733.db2.gz ZHGIZZVZJARXJH-VXGBXAGGSA-N 2 2 299.419 -0.425 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000576873036 335258619 /nfs/dbraw/zinc/25/86/19/335258619.db2.gz YRGBJGLHTBAFKL-RYUDHWBXSA-N 2 2 284.404 -0.301 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000576873036 335258620 /nfs/dbraw/zinc/25/86/20/335258620.db2.gz YRGBJGLHTBAFKL-RYUDHWBXSA-N 2 2 284.404 -0.301 20 0 CBADLP C[C@H](CC(=O)NC[C@H]1C[NH+]2CCN1CC2)n1cc[nH+]c1 ZINC000576947448 335268071 /nfs/dbraw/zinc/26/80/71/335268071.db2.gz RCOCLHYECZWSCG-OLZOCXBDSA-N 2 2 277.372 -0.050 20 0 CBADLP CO[C@H](C[NH3+])C(=O)N(CC1CC1)C[C@H]1C[N@H+](C)CCO1 ZINC000576986800 335273839 /nfs/dbraw/zinc/27/38/39/335273839.db2.gz XNNJBRCHFITKQE-CHWSQXEVSA-N 2 2 285.388 -0.471 20 0 CBADLP CO[C@H](C[NH3+])C(=O)N(CC1CC1)C[C@H]1C[N@@H+](C)CCO1 ZINC000576986800 335273841 /nfs/dbraw/zinc/27/38/41/335273841.db2.gz XNNJBRCHFITKQE-CHWSQXEVSA-N 2 2 285.388 -0.471 20 0 CBADLP CO[C@@H]1C[NH2+][C@@H](C(=O)NCC[N@@H+]2CCOC[C@@H]2C)C1 ZINC000580559613 335281052 /nfs/dbraw/zinc/28/10/52/335281052.db2.gz RNYAEEUNVPAALJ-SDDRHHMPSA-N 2 2 271.361 -0.800 20 0 CBADLP CO[C@@H]1C[NH2+][C@@H](C(=O)NCC[N@H+]2CCOC[C@@H]2C)C1 ZINC000580559613 335281053 /nfs/dbraw/zinc/28/10/53/335281053.db2.gz RNYAEEUNVPAALJ-SDDRHHMPSA-N 2 2 271.361 -0.800 20 0 CBADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]([NH3+])CC)CC1 ZINC000580566559 335282907 /nfs/dbraw/zinc/28/29/07/335282907.db2.gz XFTPOFOOZXVYBB-LLVKDONJSA-N 2 2 270.377 -0.606 20 0 CBADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]([NH3+])CC)CC1 ZINC000580566559 335282908 /nfs/dbraw/zinc/28/29/08/335282908.db2.gz XFTPOFOOZXVYBB-LLVKDONJSA-N 2 2 270.377 -0.606 20 0 CBADLP C[C@H](C(=O)N1CCCCC1)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000577077301 335296507 /nfs/dbraw/zinc/29/65/07/335296507.db2.gz IPIVJUXAKFFKHJ-JHJVBQTASA-N 2 2 294.399 -0.369 20 0 CBADLP CC[C@H](CO)[NH+]1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000580609262 335297798 /nfs/dbraw/zinc/29/77/98/335297798.db2.gz PCTQJVALXZLRPU-GFCCVEGCSA-N 2 2 266.345 -0.202 20 0 CBADLP COC(=O)c1ccc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)[nH]1 ZINC000580658645 335314622 /nfs/dbraw/zinc/31/46/22/335314622.db2.gz IJDLRALMEAONSK-QWRGUYRKSA-N 2 2 292.339 -0.455 20 0 CBADLP COC(=O)c1ccc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)[nH]1 ZINC000580658645 335314623 /nfs/dbraw/zinc/31/46/23/335314623.db2.gz IJDLRALMEAONSK-QWRGUYRKSA-N 2 2 292.339 -0.455 20 0 CBADLP COCC[NH2+]CC(=O)N(C)CCCn1cc[nH+]c1 ZINC000577369945 335343602 /nfs/dbraw/zinc/34/36/02/335343602.db2.gz QIJKGPBZSYFZQU-UHFFFAOYSA-N 2 2 254.334 -0.032 20 0 CBADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CCn2cncn2)C[C@@H](C)O1 ZINC000577384774 335345986 /nfs/dbraw/zinc/34/59/86/335345986.db2.gz ACKDVFTVOKHLMB-JHJVBQTASA-N 2 2 283.376 -0.662 20 0 CBADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+][C@@H]2C=C[C@H](CO)C2)C[C@H](C)O1 ZINC000577396769 335348256 /nfs/dbraw/zinc/34/82/56/335348256.db2.gz ZQPRXKOXJWYZSW-ZQNQSHIBSA-N 2 2 284.400 -0.017 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000577404338 335349252 /nfs/dbraw/zinc/34/92/52/335349252.db2.gz JVOOXSZSUWWDAR-GFCCVEGCSA-N 2 2 266.345 -0.154 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000577404338 335349253 /nfs/dbraw/zinc/34/92/53/335349253.db2.gz JVOOXSZSUWWDAR-GFCCVEGCSA-N 2 2 266.345 -0.154 20 0 CBADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]C[C@H](O)C(F)F)C[C@@H](C)O1 ZINC000577492827 335358786 /nfs/dbraw/zinc/35/87/86/335358786.db2.gz NZFJUEJGGPXFGC-DBIOUOCHSA-N 2 2 282.331 -0.328 20 0 CBADLP C[N@@H+]1CCN(Cc2cnc3cnccn23)[C@@H](C[NH3+])C1 ZINC000577493237 335359029 /nfs/dbraw/zinc/35/90/29/335359029.db2.gz YXDBWFHNEYJMAC-NSHDSACASA-N 2 2 260.345 -0.196 20 0 CBADLP C[N@H+]1CCN(Cc2cnc3cnccn23)[C@@H](C[NH3+])C1 ZINC000577493237 335359030 /nfs/dbraw/zinc/35/90/30/335359030.db2.gz YXDBWFHNEYJMAC-NSHDSACASA-N 2 2 260.345 -0.196 20 0 CBADLP C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177374865 335371317 /nfs/dbraw/zinc/37/13/17/335371317.db2.gz HVAWCROAWMSZQG-NSHDSACASA-N 2 2 299.419 -0.472 20 0 CBADLP C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177374865 335371318 /nfs/dbraw/zinc/37/13/18/335371318.db2.gz HVAWCROAWMSZQG-NSHDSACASA-N 2 2 299.419 -0.472 20 0 CBADLP C[C@@H](C(=O)NC(N)=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000177374865 335371319 /nfs/dbraw/zinc/37/13/19/335371319.db2.gz HVAWCROAWMSZQG-NSHDSACASA-N 2 2 299.419 -0.472 20 0 CBADLP C[C@@H](C(=O)NC(N)=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000177374865 335371320 /nfs/dbraw/zinc/37/13/20/335371320.db2.gz HVAWCROAWMSZQG-NSHDSACASA-N 2 2 299.419 -0.472 20 0 CBADLP C[NH+](C)[C@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@@H]1O ZINC000577624822 335381118 /nfs/dbraw/zinc/38/11/18/335381118.db2.gz VPOJCEXGCRZRMK-DRZSPHRISA-N 2 2 278.356 -0.421 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)C[C@H]2CSCC[NH2+]2)CCO1 ZINC000577637335 335384093 /nfs/dbraw/zinc/38/40/93/335384093.db2.gz RUJOTHZBVMJVDY-NEPJUHHUSA-N 2 2 287.429 -0.082 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)C[C@H]2CSCC[NH2+]2)CCO1 ZINC000577637335 335384095 /nfs/dbraw/zinc/38/40/95/335384095.db2.gz RUJOTHZBVMJVDY-NEPJUHHUSA-N 2 2 287.429 -0.082 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+](CC(N)=O)C(C)C ZINC000577699840 335390191 /nfs/dbraw/zinc/39/01/91/335390191.db2.gz QJZMFLXMEYALKZ-NSHDSACASA-N 2 2 261.366 -0.879 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+](CC(N)=O)C(C)C ZINC000577699840 335390193 /nfs/dbraw/zinc/39/01/93/335390193.db2.gz QJZMFLXMEYALKZ-NSHDSACASA-N 2 2 261.366 -0.879 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+](CC(N)=O)C(C)C ZINC000577699840 335390194 /nfs/dbraw/zinc/39/01/94/335390194.db2.gz QJZMFLXMEYALKZ-NSHDSACASA-N 2 2 261.366 -0.879 20 0 CBADLP Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)CC[NH3+])cn1 ZINC000577727604 335393175 /nfs/dbraw/zinc/39/31/75/335393175.db2.gz STLCYKWULSATSJ-RYUDHWBXSA-N 2 2 283.351 -0.203 20 0 CBADLP Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)CC[NH3+])cn1 ZINC000577727604 335393177 /nfs/dbraw/zinc/39/31/77/335393177.db2.gz STLCYKWULSATSJ-RYUDHWBXSA-N 2 2 283.351 -0.203 20 0 CBADLP COC[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000178070473 335411531 /nfs/dbraw/zinc/41/15/31/335411531.db2.gz BTXQOWJUSNELEW-GFCCVEGCSA-N 2 2 255.362 -0.225 20 0 CBADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CCCOCCO)C[C@@H](C)O1 ZINC000578237493 335590488 /nfs/dbraw/zinc/59/04/88/335590488.db2.gz OPPSNEPNEYTXTH-MCIONIFRSA-N 2 2 290.404 -0.555 20 0 CBADLP C[C@@H]1CCCN(C(=O)C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C1 ZINC000581142626 336015262 /nfs/dbraw/zinc/01/52/62/336015262.db2.gz PNXSJTHAHQNTQD-AGIUHOORSA-N 2 2 294.399 -0.511 20 0 CBADLP C[C@@H]1CCCN(C(=O)C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C1 ZINC000581142626 336015263 /nfs/dbraw/zinc/01/52/63/336015263.db2.gz PNXSJTHAHQNTQD-AGIUHOORSA-N 2 2 294.399 -0.511 20 0 CBADLP C[C@@H]1CN(C(=O)c2cc([C@H]3CC[NH2+]C3)[nH]n2)CC[NH2+]1 ZINC000581189510 336021622 /nfs/dbraw/zinc/02/16/22/336021622.db2.gz UFNDNFGQDACWTM-ZJUUUORDSA-N 2 2 263.345 -0.080 20 0 CBADLP C[C@@H](CC(=O)NC[C@@H]1C[NH2+]CCN1C)n1cc[nH+]c1 ZINC000581376805 336064517 /nfs/dbraw/zinc/06/45/17/336064517.db2.gz FPDMXKFBYNXQTP-RYUDHWBXSA-N 2 2 265.361 -0.146 20 0 CBADLP C[N@@H+]1CCN(C(=O)Cc2ccccc2N)[C@@H](C[NH3+])C1 ZINC000581428142 336075827 /nfs/dbraw/zinc/07/58/27/336075827.db2.gz KPOHYRBYACSPKX-LBPRGKRZSA-N 2 2 262.357 -0.087 20 0 CBADLP C[N@H+]1CCN(C(=O)Cc2ccccc2N)[C@@H](C[NH3+])C1 ZINC000581428142 336075828 /nfs/dbraw/zinc/07/58/28/336075828.db2.gz KPOHYRBYACSPKX-LBPRGKRZSA-N 2 2 262.357 -0.087 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+](C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000382396506 336086991 /nfs/dbraw/zinc/08/69/91/336086991.db2.gz WCBOSXBSRJBQBI-NWDGAFQWSA-N 2 2 293.433 -0.735 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000382396506 336086992 /nfs/dbraw/zinc/08/69/92/336086992.db2.gz WCBOSXBSRJBQBI-NWDGAFQWSA-N 2 2 293.433 -0.735 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@H+](C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000382396506 336086994 /nfs/dbraw/zinc/08/69/94/336086994.db2.gz WCBOSXBSRJBQBI-NWDGAFQWSA-N 2 2 293.433 -0.735 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000382396506 336086996 /nfs/dbraw/zinc/08/69/96/336086996.db2.gz WCBOSXBSRJBQBI-NWDGAFQWSA-N 2 2 293.433 -0.735 20 0 CBADLP C[NH2+]CCC(=O)NC[C@@H]1CCC[N@H+](CC(=O)OC)C1 ZINC000581487312 336087963 /nfs/dbraw/zinc/08/79/63/336087963.db2.gz GFKOGACNKQWTOC-NSHDSACASA-N 2 2 271.361 -0.403 20 0 CBADLP C[NH2+]CCC(=O)NC[C@@H]1CCC[N@@H+](CC(=O)OC)C1 ZINC000581487312 336087964 /nfs/dbraw/zinc/08/79/64/336087964.db2.gz GFKOGACNKQWTOC-NSHDSACASA-N 2 2 271.361 -0.403 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)CN(C)Cc1[nH+]ccn1C ZINC000382441461 336089655 /nfs/dbraw/zinc/08/96/55/336089655.db2.gz PXQLJSCLFBTHKV-GFCCVEGCSA-N 2 2 270.377 -0.209 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)CN(C)Cc1[nH+]ccn1C ZINC000382441461 336089656 /nfs/dbraw/zinc/08/96/56/336089656.db2.gz PXQLJSCLFBTHKV-GFCCVEGCSA-N 2 2 270.377 -0.209 20 0 CBADLP C[C@@H](C[NH3+])[N@H+](C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000382968165 336100016 /nfs/dbraw/zinc/10/00/16/336100016.db2.gz FBJXUWIDOAPIDY-JTQLQIEISA-N 2 2 287.385 -0.008 20 0 CBADLP C[C@@H](C[NH3+])[N@@H+](C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000382968165 336100018 /nfs/dbraw/zinc/10/00/18/336100018.db2.gz FBJXUWIDOAPIDY-JTQLQIEISA-N 2 2 287.385 -0.008 20 0 CBADLP CCCC[C@H](C[NH3+])NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000581716184 336136031 /nfs/dbraw/zinc/13/60/31/336136031.db2.gz QLPIIHATHHECPK-VXGBXAGGSA-N 3 2 271.409 -0.212 20 0 CBADLP CCN(CC)C(=O)CCC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000581725080 336137825 /nfs/dbraw/zinc/13/78/25/336137825.db2.gz RIMGWYXRFJXGAP-GFCCVEGCSA-N 2 2 284.404 -0.264 20 0 CBADLP C[C@@H]1[C@H](CO)CC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000385645447 336153130 /nfs/dbraw/zinc/15/31/30/336153130.db2.gz DMRDTQDBMNNHQL-NEPJUHHUSA-N 2 2 255.362 -0.537 20 0 CBADLP C[C@@H]1[C@H](CO)CC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000385645447 336153131 /nfs/dbraw/zinc/15/31/31/336153131.db2.gz DMRDTQDBMNNHQL-NEPJUHHUSA-N 2 2 255.362 -0.537 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1CCO ZINC000386325757 336170724 /nfs/dbraw/zinc/17/07/24/336170724.db2.gz JFROCKUANHOIJU-CHWSQXEVSA-N 2 2 260.378 -0.228 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1CCO ZINC000386325757 336170726 /nfs/dbraw/zinc/17/07/26/336170726.db2.gz JFROCKUANHOIJU-CHWSQXEVSA-N 2 2 260.378 -0.228 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H]1CCO ZINC000386325757 336170727 /nfs/dbraw/zinc/17/07/27/336170727.db2.gz JFROCKUANHOIJU-CHWSQXEVSA-N 2 2 260.378 -0.228 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H]1CCO ZINC000386325757 336170729 /nfs/dbraw/zinc/17/07/29/336170729.db2.gz JFROCKUANHOIJU-CHWSQXEVSA-N 2 2 260.378 -0.228 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1CCO ZINC000386325758 336170785 /nfs/dbraw/zinc/17/07/85/336170785.db2.gz JFROCKUANHOIJU-OLZOCXBDSA-N 2 2 260.378 -0.228 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1CCO ZINC000386325758 336170786 /nfs/dbraw/zinc/17/07/86/336170786.db2.gz JFROCKUANHOIJU-OLZOCXBDSA-N 2 2 260.378 -0.228 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]1CCO ZINC000386325758 336170788 /nfs/dbraw/zinc/17/07/88/336170788.db2.gz JFROCKUANHOIJU-OLZOCXBDSA-N 2 2 260.378 -0.228 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]1CCO ZINC000386325758 336170789 /nfs/dbraw/zinc/17/07/89/336170789.db2.gz JFROCKUANHOIJU-OLZOCXBDSA-N 2 2 260.378 -0.228 20 0 CBADLP C[C@@H]([NH2+]CCS(=O)(=O)N(C)C)[C@H]1CCCC[NH2+]1 ZINC000386499519 336175909 /nfs/dbraw/zinc/17/59/09/336175909.db2.gz VOAUBCQHLPVGBT-GHMZBOCLSA-N 2 2 263.407 -0.002 20 0 CBADLP C[N@@H+]1CCC[C@H]2C[NH+](CCS(N)(=O)=O)CC[C@@H]21 ZINC000766124653 582329805 /nfs/dbraw/zinc/32/98/05/582329805.db2.gz ZUGLORQYVVSQFX-QWRGUYRKSA-N 2 2 261.391 -0.309 20 0 CBADLP C[N@H+]1CCC[C@H]2C[NH+](CCS(N)(=O)=O)CC[C@@H]21 ZINC000766124653 582329806 /nfs/dbraw/zinc/32/98/06/582329806.db2.gz ZUGLORQYVVSQFX-QWRGUYRKSA-N 2 2 261.391 -0.309 20 0 CBADLP C[NH+]1CCC[C@H]2C[N@H+](CCS(N)(=O)=O)CC[C@@H]21 ZINC000766124653 582329807 /nfs/dbraw/zinc/32/98/07/582329807.db2.gz ZUGLORQYVVSQFX-QWRGUYRKSA-N 2 2 261.391 -0.309 20 0 CBADLP C[NH+]1CCC[C@H]2C[N@@H+](CCS(N)(=O)=O)CC[C@@H]21 ZINC000766124653 582329808 /nfs/dbraw/zinc/32/98/08/582329808.db2.gz ZUGLORQYVVSQFX-QWRGUYRKSA-N 2 2 261.391 -0.309 20 0 CBADLP CC(C)[C@H](CNC(=O)[C@H]1C[NH2+]CCO1)[NH+]1CCOCC1 ZINC000164312841 519815629 /nfs/dbraw/zinc/81/56/29/519815629.db2.gz VDKHUJYQAMPVMU-QWHCGFSZSA-N 2 2 285.388 -0.552 20 0 CBADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@@H](C)[NH3+])CC1 ZINC000157389142 523263127 /nfs/dbraw/zinc/26/31/27/523263127.db2.gz FMNNKMLSYRIIDD-NXEZZACHSA-N 2 2 257.334 -0.571 20 0 CBADLP C[NH+]1CCN(S(=O)(=O)CC2CC[NH2+]CC2)CC1 ZINC000049631945 523912493 /nfs/dbraw/zinc/91/24/93/523912493.db2.gz RSVFSQOFEMDZJV-UHFFFAOYSA-N 2 2 261.391 -0.437 20 0 CBADLP O=C1[C@H]([NH2+]C2COC2)CCCN1CC[NH+]1CCOCC1 ZINC000376861016 534841744 /nfs/dbraw/zinc/84/17/44/534841744.db2.gz QYSFMTOGMHIACA-CYBMUJFWSA-N 2 2 283.372 -0.702 20 0 CBADLP CC[NH+](CC)CC(=O)N1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC000116277401 528086543 /nfs/dbraw/zinc/08/65/43/528086543.db2.gz FCLXZIDDKKUYDW-ZDUSSCGKSA-N 2 2 296.415 -0.297 20 0 CBADLP CCOCC[N@@H+]1CCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)C[C@@H]1C ZINC000377293716 528746602 /nfs/dbraw/zinc/74/66/02/528746602.db2.gz WDIKMDGJUCCDQU-RWMBFGLXSA-N 2 2 285.388 -0.722 20 0 CBADLP CCOCC[N@H+]1CCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)C[C@@H]1C ZINC000377293716 528746607 /nfs/dbraw/zinc/74/66/07/528746607.db2.gz WDIKMDGJUCCDQU-RWMBFGLXSA-N 2 2 285.388 -0.722 20 0 CBADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC[NH+]2CCCOCC2)C1 ZINC000377291733 529047377 /nfs/dbraw/zinc/04/73/77/529047377.db2.gz IHUCLJFZGPTSIX-CQSZACIVSA-N 2 2 299.415 -0.066 20 0 CBADLP CC(C)[N@H+]1CCO[C@@H](C(=O)NCC[NH+]2CCCOCC2)C1 ZINC000377291733 529047384 /nfs/dbraw/zinc/04/73/84/529047384.db2.gz IHUCLJFZGPTSIX-CQSZACIVSA-N 2 2 299.415 -0.066 20 0 CBADLP CC(C)[NH+]1CCO[C@@H](C(=O)NCC[N@@H+]2CCCOCC2)C1 ZINC000377291733 529047387 /nfs/dbraw/zinc/04/73/87/529047387.db2.gz IHUCLJFZGPTSIX-CQSZACIVSA-N 2 2 299.415 -0.066 20 0 CBADLP CC(C)[NH+]1CCO[C@@H](C(=O)NCC[N@H+]2CCCOCC2)C1 ZINC000377291733 529047389 /nfs/dbraw/zinc/04/73/89/529047389.db2.gz IHUCLJFZGPTSIX-CQSZACIVSA-N 2 2 299.415 -0.066 20 0 CBADLP C[N@H+](CCC(=O)N1CCOCC1)C1CC[NH+](CCO)CC1 ZINC000357645819 536304266 /nfs/dbraw/zinc/30/42/66/536304266.db2.gz FZTWZJLKMCKPFR-UHFFFAOYSA-N 2 2 299.415 -0.376 20 0 CBADLP C[N@@H+](CCC(=O)N1CCOCC1)C1CC[NH+](CCO)CC1 ZINC000357645819 536304270 /nfs/dbraw/zinc/30/42/70/536304270.db2.gz FZTWZJLKMCKPFR-UHFFFAOYSA-N 2 2 299.415 -0.376 20 0 CBADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CC[C@@H](O)C3)cn2)CC1 ZINC000271048337 536425400 /nfs/dbraw/zinc/42/54/00/536425400.db2.gz STYTZRROXLWHOW-CYBMUJFWSA-N 2 2 277.372 -0.205 20 0 CBADLP C[NH+]1CCN(c2ncc(C[N@H+]3CC[C@@H](O)C3)cn2)CC1 ZINC000271048337 536425404 /nfs/dbraw/zinc/42/54/04/536425404.db2.gz STYTZRROXLWHOW-CYBMUJFWSA-N 2 2 277.372 -0.205 20 0 CBADLP O=C1C[NH+](CCCCCC[N@@H+]2CCNC(=O)C2)CCN1 ZINC000105570114 582113627 /nfs/dbraw/zinc/11/36/27/582113627.db2.gz XARYFRWXFTYSKD-UHFFFAOYSA-N 2 2 282.388 -0.590 20 0 CBADLP O=C1C[NH+](CCCCCC[N@H+]2CCNC(=O)C2)CCN1 ZINC000105570114 582113628 /nfs/dbraw/zinc/11/36/28/582113628.db2.gz XARYFRWXFTYSKD-UHFFFAOYSA-N 2 2 282.388 -0.590 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)CC[NH+]2CCOCC2)CCO1 ZINC000725718332 582135331 /nfs/dbraw/zinc/13/53/31/582135331.db2.gz WRVGORVLYJQZPN-CYBMUJFWSA-N 2 2 285.388 -0.454 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)CC[NH+]2CCOCC2)CCO1 ZINC000725718332 582135332 /nfs/dbraw/zinc/13/53/32/582135332.db2.gz WRVGORVLYJQZPN-CYBMUJFWSA-N 2 2 285.388 -0.454 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)NCCn2cc[nH+]c2)CCO1 ZINC000726259079 582137114 /nfs/dbraw/zinc/13/71/14/582137114.db2.gz ZOELZMYTAKOOQT-GFCCVEGCSA-N 2 2 281.360 -0.097 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)NCCn2cc[nH+]c2)CCO1 ZINC000726259079 582137115 /nfs/dbraw/zinc/13/71/15/582137115.db2.gz ZOELZMYTAKOOQT-GFCCVEGCSA-N 2 2 281.360 -0.097 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCCNC(=O)C2)CC1 ZINC000726791701 582138196 /nfs/dbraw/zinc/13/81/96/582138196.db2.gz GWMUIJZBAJMDDM-LBPRGKRZSA-N 2 2 282.388 -0.639 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCCNC(=O)C2)CC1 ZINC000726791701 582138197 /nfs/dbraw/zinc/13/81/97/582138197.db2.gz GWMUIJZBAJMDDM-LBPRGKRZSA-N 2 2 282.388 -0.639 20 0 CBADLP CCOCC[NH+]1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000732122192 582156778 /nfs/dbraw/zinc/15/67/78/582156778.db2.gz ZTGPEGVYMBDDJE-UHFFFAOYSA-N 2 2 299.415 -0.111 20 0 CBADLP C[N@@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC000732264757 582157476 /nfs/dbraw/zinc/15/74/76/582157476.db2.gz WNGKOKLAHIVDGF-LBPRGKRZSA-N 2 2 282.388 -0.463 20 0 CBADLP C[N@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC000732264757 582157477 /nfs/dbraw/zinc/15/74/77/582157477.db2.gz WNGKOKLAHIVDGF-LBPRGKRZSA-N 2 2 282.388 -0.463 20 0 CBADLP O=C(CC[NH+]1CCOCC1)NCC[NH+]1CCSCC1 ZINC000732777908 582160875 /nfs/dbraw/zinc/16/08/75/582160875.db2.gz DKAJLQFHDSGVAS-UHFFFAOYSA-N 2 2 287.429 -0.126 20 0 CBADLP C[C@@H](CNC(=O)CC[NH+]1CCOCC1)N1CC[NH+](C)CC1 ZINC000733977461 582167137 /nfs/dbraw/zinc/16/71/37/582167137.db2.gz LVWKAWZDBGVRQN-AWEZNQCLSA-N 2 2 298.431 -0.539 20 0 CBADLP C[C@@H](CNC(=O)CC[NH+]1CCOCC1)[NH+]1CCN(C)CC1 ZINC000733977461 582167138 /nfs/dbraw/zinc/16/71/38/582167138.db2.gz LVWKAWZDBGVRQN-AWEZNQCLSA-N 2 2 298.431 -0.539 20 0 CBADLP CN1CC[C@@H]([N@H+](C)C[C@H](O)C[NH+]2CCCC2)C1=O ZINC000738883102 582262816 /nfs/dbraw/zinc/26/28/16/582262816.db2.gz YEHBGQMHNXCXLR-NWDGAFQWSA-N 2 2 255.362 -0.394 20 0 CBADLP CN1CC[C@@H]([N@@H+](C)C[C@H](O)C[NH+]2CCCC2)C1=O ZINC000738883102 582262817 /nfs/dbraw/zinc/26/28/17/582262817.db2.gz YEHBGQMHNXCXLR-NWDGAFQWSA-N 2 2 255.362 -0.394 20 0 CBADLP C[N@@H+]1CC[C@@H](C(=O)N2CC[NH+](CC[S@](C)=O)CC2)C1 ZINC000741288637 582268874 /nfs/dbraw/zinc/26/88/74/582268874.db2.gz JBEFWQRRDSWXAX-BLVKFPJESA-N 2 2 287.429 -0.539 20 0 CBADLP C[N@H+]1CC[C@@H](C(=O)N2CC[NH+](CC[S@](C)=O)CC2)C1 ZINC000741288637 582268875 /nfs/dbraw/zinc/26/88/75/582268875.db2.gz JBEFWQRRDSWXAX-BLVKFPJESA-N 2 2 287.429 -0.539 20 0 CBADLP Cn1nc2c(cc1=O)C[N@@H+](C[C@H](O)C[NH+]1CCCC1)CC2 ZINC000742428335 582273126 /nfs/dbraw/zinc/27/31/26/582273126.db2.gz IURGMTSTJQGLNS-CYBMUJFWSA-N 2 2 292.383 -0.405 20 0 CBADLP Cn1nc2c(cc1=O)C[N@H+](C[C@H](O)C[NH+]1CCCC1)CC2 ZINC000742428335 582273127 /nfs/dbraw/zinc/27/31/27/582273127.db2.gz IURGMTSTJQGLNS-CYBMUJFWSA-N 2 2 292.383 -0.405 20 0 CBADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCS(N)(=O)=O)C1 ZINC000746666937 582285119 /nfs/dbraw/zinc/28/51/19/582285119.db2.gz FFEADKKLIHGVEE-LBPRGKRZSA-N 2 2 275.418 -0.061 20 0 CBADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCS(N)(=O)=O)C1 ZINC000746666937 582285120 /nfs/dbraw/zinc/28/51/20/582285120.db2.gz FFEADKKLIHGVEE-LBPRGKRZSA-N 2 2 275.418 -0.061 20 0 CBADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCS(N)(=O)=O)C1 ZINC000746666937 582285121 /nfs/dbraw/zinc/28/51/21/582285121.db2.gz FFEADKKLIHGVEE-LBPRGKRZSA-N 2 2 275.418 -0.061 20 0 CBADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCS(N)(=O)=O)C1 ZINC000746666937 582285122 /nfs/dbraw/zinc/28/51/22/582285122.db2.gz FFEADKKLIHGVEE-LBPRGKRZSA-N 2 2 275.418 -0.061 20 0 CBADLP O=C(NC1CC1)N[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000760905464 582313836 /nfs/dbraw/zinc/31/38/36/582313836.db2.gz FURYLTACIYKEPP-KGLIPLIRSA-N 2 2 296.415 -0.021 20 0 CBADLP O=C(NC1CC1)N[C@@H]1CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000760905464 582313837 /nfs/dbraw/zinc/31/38/37/582313837.db2.gz FURYLTACIYKEPP-KGLIPLIRSA-N 2 2 296.415 -0.021 20 0 CBADLP C[N@H+](C[C@@H](O)C[NH+]1CCCC1)[C@]1(CO)CCOC1 ZINC000763892696 582321622 /nfs/dbraw/zinc/32/16/22/582321622.db2.gz HSKKNXCIMBMJQS-OLZOCXBDSA-N 2 2 258.362 -0.474 20 0 CBADLP C[N@@H+](C[C@@H](O)C[NH+]1CCCC1)[C@]1(CO)CCOC1 ZINC000763892696 582321623 /nfs/dbraw/zinc/32/16/23/582321623.db2.gz HSKKNXCIMBMJQS-OLZOCXBDSA-N 2 2 258.362 -0.474 20 0 CBADLP C[N@@H+]1CCC[C@@H]2C[NH+](CCS(N)(=O)=O)CC[C@@H]21 ZINC000766124651 582329750 /nfs/dbraw/zinc/32/97/50/582329750.db2.gz ZUGLORQYVVSQFX-MNOVXSKESA-N 2 2 261.391 -0.309 20 0 CBADLP C[N@H+]1CCC[C@@H]2C[NH+](CCS(N)(=O)=O)CC[C@@H]21 ZINC000766124651 582329751 /nfs/dbraw/zinc/32/97/51/582329751.db2.gz ZUGLORQYVVSQFX-MNOVXSKESA-N 2 2 261.391 -0.309 20 0 CBADLP C[NH+]1CCC[C@@H]2C[N@H+](CCS(N)(=O)=O)CC[C@@H]21 ZINC000766124651 582329752 /nfs/dbraw/zinc/32/97/52/582329752.db2.gz ZUGLORQYVVSQFX-MNOVXSKESA-N 2 2 261.391 -0.309 20 0 CBADLP C[NH+]1CCC[C@@H]2C[N@@H+](CCS(N)(=O)=O)CC[C@@H]21 ZINC000766124651 582329753 /nfs/dbraw/zinc/32/97/53/582329753.db2.gz ZUGLORQYVVSQFX-MNOVXSKESA-N 2 2 261.391 -0.309 20 0 CBADLP C[C@@H](NC(=S)NCC[NH+](C)C)[C@H]1C[N@H+](C)CCO1 ZINC000769791772 582336644 /nfs/dbraw/zinc/33/66/44/582336644.db2.gz IAQBTGOIGJXYJR-GHMZBOCLSA-N 2 2 274.434 -0.269 20 0 CBADLP C[C@@H](NC(=S)NCC[NH+](C)C)[C@H]1C[N@@H+](C)CCO1 ZINC000769791772 582336645 /nfs/dbraw/zinc/33/66/45/582336645.db2.gz IAQBTGOIGJXYJR-GHMZBOCLSA-N 2 2 274.434 -0.269 20 0 CBADLP O=C(CC[NH+]1CCOCC1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000771034587 582340146 /nfs/dbraw/zinc/34/01/46/582340146.db2.gz QWEMDCKNVHMZJZ-CQSZACIVSA-N 2 2 297.399 -0.358 20 0 CBADLP NC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2C2CC2)CC1 ZINC000787316547 582381460 /nfs/dbraw/zinc/38/14/60/582381460.db2.gz IIGZEFMMOKXCFX-CYBMUJFWSA-N 2 2 294.399 -0.367 20 0 CBADLP NC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2C2CC2)CC1 ZINC000787316547 582381461 /nfs/dbraw/zinc/38/14/61/582381461.db2.gz IIGZEFMMOKXCFX-CYBMUJFWSA-N 2 2 294.399 -0.367 20 0 CBADLP NC(=O)C[NH+]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000787316547 582381462 /nfs/dbraw/zinc/38/14/62/582381462.db2.gz IIGZEFMMOKXCFX-CYBMUJFWSA-N 2 2 294.399 -0.367 20 0 CBADLP NC(=O)C[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CC2)CC1 ZINC000787316547 582381463 /nfs/dbraw/zinc/38/14/63/582381463.db2.gz IIGZEFMMOKXCFX-CYBMUJFWSA-N 2 2 294.399 -0.367 20 0 CBADLP COC(=O)C[C@H]1C(=O)NCC[N@H+]1CC1CC[NH+](C)CC1 ZINC000788471323 582386161 /nfs/dbraw/zinc/38/61/61/582386161.db2.gz PBSUDNQEEYAPRM-LBPRGKRZSA-N 2 2 283.372 -0.308 20 0 CBADLP COC(=O)C[C@H]1C(=O)NCC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000788471323 582386162 /nfs/dbraw/zinc/38/61/62/582386162.db2.gz PBSUDNQEEYAPRM-LBPRGKRZSA-N 2 2 283.372 -0.308 20 0 CBADLP COCCONC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000789141664 582387543 /nfs/dbraw/zinc/38/75/43/582387543.db2.gz YDZKOJIIGACVJN-UHFFFAOYSA-N 2 2 288.392 -0.110 20 0 CBADLP COC(=O)[C@H]1[C@@H]2C[N@@H+](C[C@H](O)C[NH+](C)C3CC3)C[C@@H]21 ZINC000794966585 582407316 /nfs/dbraw/zinc/40/73/16/582407316.db2.gz FVUIKLWEGDJZOF-NDBYEHHHSA-N 2 2 268.357 -0.208 20 0 CBADLP COC(=O)[C@H]1[C@@H]2C[N@H+](C[C@H](O)C[NH+](C)C3CC3)C[C@@H]21 ZINC000794966585 582407317 /nfs/dbraw/zinc/40/73/17/582407317.db2.gz FVUIKLWEGDJZOF-NDBYEHHHSA-N 2 2 268.357 -0.208 20 0 CBADLP COC(=O)[C@H]1[C@@H]2C[NH+](C[C@H](O)C[N@H+](C)C3CC3)C[C@@H]21 ZINC000794966585 582407318 /nfs/dbraw/zinc/40/73/18/582407318.db2.gz FVUIKLWEGDJZOF-NDBYEHHHSA-N 2 2 268.357 -0.208 20 0 CBADLP COC(=O)[C@H]1[C@@H]2C[NH+](C[C@H](O)C[N@@H+](C)C3CC3)C[C@@H]21 ZINC000794966585 582407319 /nfs/dbraw/zinc/40/73/19/582407319.db2.gz FVUIKLWEGDJZOF-NDBYEHHHSA-N 2 2 268.357 -0.208 20 0 CBADLP COC(=O)[C@H]1[C@@H]2C[N@@H+](C[C@@H](O)C[NH+](C)C3CC3)C[C@@H]21 ZINC000794966586 582407323 /nfs/dbraw/zinc/40/73/23/582407323.db2.gz FVUIKLWEGDJZOF-WUHRBBMRSA-N 2 2 268.357 -0.208 20 0 CBADLP COC(=O)[C@H]1[C@@H]2C[N@H+](C[C@@H](O)C[NH+](C)C3CC3)C[C@@H]21 ZINC000794966586 582407324 /nfs/dbraw/zinc/40/73/24/582407324.db2.gz FVUIKLWEGDJZOF-WUHRBBMRSA-N 2 2 268.357 -0.208 20 0 CBADLP COC(=O)[C@H]1[C@@H]2C[NH+](C[C@@H](O)C[N@H+](C)C3CC3)C[C@@H]21 ZINC000794966586 582407325 /nfs/dbraw/zinc/40/73/25/582407325.db2.gz FVUIKLWEGDJZOF-WUHRBBMRSA-N 2 2 268.357 -0.208 20 0 CBADLP COC(=O)[C@H]1[C@@H]2C[NH+](C[C@@H](O)C[N@@H+](C)C3CC3)C[C@@H]21 ZINC000794966586 582407326 /nfs/dbraw/zinc/40/73/26/582407326.db2.gz FVUIKLWEGDJZOF-WUHRBBMRSA-N 2 2 268.357 -0.208 20 0 CBADLP C[N@H+](C[C@@H](O)C[NH2+]C1(C(N)=O)CCCC1)C1CC1 ZINC000809963550 582447517 /nfs/dbraw/zinc/44/75/17/582447517.db2.gz RKKAPDACSLCHLX-NSHDSACASA-N 2 2 255.362 -0.171 20 0 CBADLP C[N@@H+](C[C@@H](O)C[NH2+]C1(C(N)=O)CCCC1)C1CC1 ZINC000809963550 582447518 /nfs/dbraw/zinc/44/75/18/582447518.db2.gz RKKAPDACSLCHLX-NSHDSACASA-N 2 2 255.362 -0.171 20 0 CBADLP C[N@@H+]1CCC[C@@]2(CC[NH+](CCS(N)(=O)=O)C2)C1 ZINC000815145192 582461708 /nfs/dbraw/zinc/46/17/08/582461708.db2.gz PCTRPDRXGJTPTG-LLVKDONJSA-N 2 2 261.391 -0.307 20 0 CBADLP C[N@H+]1CCC[C@@]2(CC[NH+](CCS(N)(=O)=O)C2)C1 ZINC000815145192 582461709 /nfs/dbraw/zinc/46/17/09/582461709.db2.gz PCTRPDRXGJTPTG-LLVKDONJSA-N 2 2 261.391 -0.307 20 0 CBADLP C[NH+]1CCC[C@@]2(CC[N@H+](CCS(N)(=O)=O)C2)C1 ZINC000815145192 582461711 /nfs/dbraw/zinc/46/17/11/582461711.db2.gz PCTRPDRXGJTPTG-LLVKDONJSA-N 2 2 261.391 -0.307 20 0 CBADLP C[NH+]1CCC[C@@]2(CC[N@@H+](CCS(N)(=O)=O)C2)C1 ZINC000815145192 582461714 /nfs/dbraw/zinc/46/17/14/582461714.db2.gz PCTRPDRXGJTPTG-LLVKDONJSA-N 2 2 261.391 -0.307 20 0 CBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C[NH+]1CCCC1 ZINC000820682934 582580192 /nfs/dbraw/zinc/58/01/92/582580192.db2.gz XPYYFFAFUSTEFL-CYBMUJFWSA-N 2 2 285.388 -0.766 20 0 CBADLP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)Cc1[nH]cc[nH+]1 ZINC000825293728 582731223 /nfs/dbraw/zinc/73/12/23/582731223.db2.gz UWLIQBWHMGKUJR-UHFFFAOYSA-N 2 2 279.344 -0.815 20 0 CBADLP C[NH+](C)C1(C(=O)N2CCC[N@H+](CC(N)=O)CC2)CC1 ZINC000826075527 582758124 /nfs/dbraw/zinc/75/81/24/582758124.db2.gz WKPQVUHFXNHDIQ-UHFFFAOYSA-N 2 2 268.361 -0.900 20 0 CBADLP C[NH+](C)C1(C(=O)N2CCC[N@@H+](CC(N)=O)CC2)CC1 ZINC000826075527 582758127 /nfs/dbraw/zinc/75/81/27/582758127.db2.gz WKPQVUHFXNHDIQ-UHFFFAOYSA-N 2 2 268.361 -0.900 20 0 CBADLP Cc1cc[nH+]c(NC[C@@H](O)C[NH+](C)C)c1-c1nn[nH]n1 ZINC000826312418 582766669 /nfs/dbraw/zinc/76/66/69/582766669.db2.gz DCTDGOWRZUJWQL-SECBINFHSA-N 2 2 277.332 -0.095 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000828714855 582871450 /nfs/dbraw/zinc/87/14/50/582871450.db2.gz FZJBKLDVZXLUCF-PWSUYJOCSA-N 2 2 259.325 -0.475 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000828714855 582871452 /nfs/dbraw/zinc/87/14/52/582871452.db2.gz FZJBKLDVZXLUCF-PWSUYJOCSA-N 2 2 259.325 -0.475 20 0 CBADLP C[C@H]1CN(C(=O)c2n[nH]c3c2C[NH2+]CC3)[C@@H](C)C[NH2+]1 ZINC000831539950 582985352 /nfs/dbraw/zinc/98/53/52/582985352.db2.gz BTUWFXDYWFLCJC-IUCAKERBSA-N 2 2 263.345 -0.122 20 0 CBADLP CCO[C@H](CNC(=O)Cn1cc[nH+]c1)C[NH+](C)C ZINC000831719167 582998257 /nfs/dbraw/zinc/99/82/57/582998257.db2.gz QQZWKPQABKDGHQ-LLVKDONJSA-N 2 2 254.334 -0.034 20 0 CBADLP CCO[C@H](CNC(=O)/C=C\C[NH+]1CCOCC1)C[NH+](C)C ZINC000831718360 582998278 /nfs/dbraw/zinc/99/82/78/582998278.db2.gz KZNGDUKZPXGYRK-GEXIGZQTSA-N 2 2 299.415 -0.042 20 0 CBADLP C[NH2+]C[C@H]1CCCN1C(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC000832828504 583049475 /nfs/dbraw/zinc/04/94/75/583049475.db2.gz DDOBNBSLHVFBEM-SECBINFHSA-N 2 2 263.345 -0.121 20 0 CBADLP C[N@@H+]1CCN(C(=O)CCCCCC[NH3+])[C@@H](C[NH3+])C1 ZINC000834299221 583119844 /nfs/dbraw/zinc/11/98/44/583119844.db2.gz MWGQLLGNLUMDQG-LBPRGKRZSA-N 3 2 256.394 -0.003 20 0 CBADLP C[N@H+]1CCN(C(=O)CCCCCC[NH3+])[C@@H](C[NH3+])C1 ZINC000834299221 583119846 /nfs/dbraw/zinc/11/98/46/583119846.db2.gz MWGQLLGNLUMDQG-LBPRGKRZSA-N 3 2 256.394 -0.003 20 0 CBADLP CC(C)(C[NH+]1CCOCC1)NC(=O)CC[NH+]1CCOCC1 ZINC000840526174 583165700 /nfs/dbraw/zinc/16/57/00/583165700.db2.gz SHJWTCGYAIUSHT-UHFFFAOYSA-N 2 2 299.415 -0.064 20 0 CBADLP CC[C@H](C)C[NH+]1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000843054702 583198639 /nfs/dbraw/zinc/19/86/39/583198639.db2.gz CGWRISAMKSTONB-NSHDSACASA-N 2 2 275.418 -0.048 20 0 CBADLP CON(C)C(=O)CC[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000843091633 583201274 /nfs/dbraw/zinc/20/12/74/583201274.db2.gz FRRMADRAKWTWIY-LBPRGKRZSA-N 2 2 273.377 -0.167 20 0 CBADLP CON(C)C(=O)CC[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000843091633 583201277 /nfs/dbraw/zinc/20/12/77/583201277.db2.gz FRRMADRAKWTWIY-LBPRGKRZSA-N 2 2 273.377 -0.167 20 0 CBADLP CNC(=O)[C@@H](O)C[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000843111546 583203051 /nfs/dbraw/zinc/20/30/51/583203051.db2.gz TZRSUFGNLZYNAC-KGLIPLIRSA-N 2 2 295.383 -0.824 20 0 CBADLP CNC(=O)[C@@H](O)C[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000843111546 583203054 /nfs/dbraw/zinc/20/30/54/583203054.db2.gz TZRSUFGNLZYNAC-KGLIPLIRSA-N 2 2 295.383 -0.824 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)NCCCCCC[NH3+])CC1 ZINC000843262263 583205440 /nfs/dbraw/zinc/20/54/40/583205440.db2.gz NVEYTKWPGHZZAW-UHFFFAOYSA-N 2 2 284.404 -0.214 20 0 CBADLP Cn1ncc(C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])n1 ZINC000843376813 583213708 /nfs/dbraw/zinc/21/37/08/583213708.db2.gz GGKCBVGXTIJBBX-GFCCVEGCSA-N 2 2 280.376 -0.365 20 0 CBADLP Cn1ncc(C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])n1 ZINC000843376813 583213709 /nfs/dbraw/zinc/21/37/09/583213709.db2.gz GGKCBVGXTIJBBX-GFCCVEGCSA-N 2 2 280.376 -0.365 20 0 CBADLP CCOC(=O)C1=C(C[N@H+](C)C2CC([NH3+])C2)NC(=O)N[C@H]1C ZINC000843387553 583214567 /nfs/dbraw/zinc/21/45/67/583214567.db2.gz LVSIZXFORWWYEH-IDKOKCKLSA-N 2 2 296.371 -0.074 20 0 CBADLP CCOC(=O)C1=C(C[N@@H+](C)C2CC([NH3+])C2)NC(=O)N[C@H]1C ZINC000843387553 583214572 /nfs/dbraw/zinc/21/45/72/583214572.db2.gz LVSIZXFORWWYEH-IDKOKCKLSA-N 2 2 296.371 -0.074 20 0 CBADLP Cn1cc[nH+]c1CNC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000844183132 583258868 /nfs/dbraw/zinc/25/88/68/583258868.db2.gz TXMOFSIKCNJVOS-JTQLQIEISA-N 2 2 252.318 -0.195 20 0 CBADLP C[NH+](C)CCN1CC[N@H+](CCC2OCCCO2)CC1=O ZINC000844377330 583268975 /nfs/dbraw/zinc/26/89/75/583268975.db2.gz VRDHUXTTZYIYSY-UHFFFAOYSA-N 2 2 285.388 -0.155 20 0 CBADLP C[NH+](C)CCN1CC[N@@H+](CCC2OCCCO2)CC1=O ZINC000844377330 583268979 /nfs/dbraw/zinc/26/89/79/583268979.db2.gz VRDHUXTTZYIYSY-UHFFFAOYSA-N 2 2 285.388 -0.155 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000846678662 583382506 /nfs/dbraw/zinc/38/25/06/583382506.db2.gz NBTVQWQYHBQFKA-IUCAKERBSA-N 3 2 264.320 -0.669 20 0 CBADLP CCOC(=O)N1CC[C@@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000846682349 583383062 /nfs/dbraw/zinc/38/30/62/583383062.db2.gz OHEQUFUILSHCOX-GHMZBOCLSA-N 2 2 286.376 -0.388 20 0 CBADLP C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CC(=O)N(CCCO)C2=O)C1 ZINC000846701397 583384878 /nfs/dbraw/zinc/38/48/78/583384878.db2.gz FQGXWTPZJKCWSO-NWDGAFQWSA-N 2 2 283.372 -0.572 20 0 CBADLP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CC(=O)N(CCCO)C2=O)C1 ZINC000846701397 583384880 /nfs/dbraw/zinc/38/48/80/583384880.db2.gz FQGXWTPZJKCWSO-NWDGAFQWSA-N 2 2 283.372 -0.572 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)[C@H]1CCCCNC1=O ZINC000846797667 583387627 /nfs/dbraw/zinc/38/76/27/583387627.db2.gz CUWKYLWRZDYXNN-STQMWFEESA-N 2 2 287.404 -0.474 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)[C@H]1CCCCNC1=O ZINC000846797667 583387630 /nfs/dbraw/zinc/38/76/30/583387630.db2.gz CUWKYLWRZDYXNN-STQMWFEESA-N 2 2 287.404 -0.474 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)[C@H]1CCCCNC1=O ZINC000846797667 583387632 /nfs/dbraw/zinc/38/76/32/583387632.db2.gz CUWKYLWRZDYXNN-STQMWFEESA-N 2 2 287.404 -0.474 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)[C@H]1CCCCNC1=O ZINC000846797667 583387634 /nfs/dbraw/zinc/38/76/34/583387634.db2.gz CUWKYLWRZDYXNN-STQMWFEESA-N 2 2 287.404 -0.474 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@H]1CCCCNC1=O ZINC000846799664 583387964 /nfs/dbraw/zinc/38/79/64/583387964.db2.gz VTFVBFMXHBKSMJ-RYUDHWBXSA-N 2 2 257.378 -0.101 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@H]1CCCCNC1=O ZINC000846799664 583387965 /nfs/dbraw/zinc/38/79/65/583387965.db2.gz VTFVBFMXHBKSMJ-RYUDHWBXSA-N 2 2 257.378 -0.101 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@H]1CCCCNC1=O ZINC000846799664 583387966 /nfs/dbraw/zinc/38/79/66/583387966.db2.gz VTFVBFMXHBKSMJ-RYUDHWBXSA-N 2 2 257.378 -0.101 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@H]1CCCCNC1=O ZINC000846799664 583387967 /nfs/dbraw/zinc/38/79/67/583387967.db2.gz VTFVBFMXHBKSMJ-RYUDHWBXSA-N 2 2 257.378 -0.101 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC(OC(C)=O)CC1 ZINC000846835297 583389076 /nfs/dbraw/zinc/38/90/76/583389076.db2.gz WYPMMSFIQNKILW-CYBMUJFWSA-N 2 2 288.388 -0.047 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(OC(C)=O)CC1 ZINC000846835297 583389077 /nfs/dbraw/zinc/38/90/77/583389077.db2.gz WYPMMSFIQNKILW-CYBMUJFWSA-N 2 2 288.388 -0.047 20 0 CBADLP CNC(=O)C1([NH2+]C[C@@H](O)C[N@H+](C)CCOC)CCCC1 ZINC000846827734 583389104 /nfs/dbraw/zinc/38/91/04/583389104.db2.gz XGKUVZPKUKHGRT-GFCCVEGCSA-N 2 2 287.404 -0.426 20 0 CBADLP CNC(=O)C1([NH2+]C[C@@H](O)C[N@@H+](C)CCOC)CCCC1 ZINC000846827734 583389108 /nfs/dbraw/zinc/38/91/08/583389108.db2.gz XGKUVZPKUKHGRT-GFCCVEGCSA-N 2 2 287.404 -0.426 20 0 CBADLP COc1c(N)[nH+]cnc1N1CC[NH+](CCCCO)CC1 ZINC000848668910 583454116 /nfs/dbraw/zinc/45/41/16/583454116.db2.gz TZMMFFUTEBQCJU-UHFFFAOYSA-N 2 2 281.360 -0.038 20 0 CBADLP CCONC(=O)CNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC ZINC000849049607 583472016 /nfs/dbraw/zinc/47/20/16/583472016.db2.gz SHENRTMENUBJLZ-SNVBAGLBSA-N 2 2 271.365 -0.348 20 0 CBADLP CCONC(=O)CNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC ZINC000849049607 583472018 /nfs/dbraw/zinc/47/20/18/583472018.db2.gz SHENRTMENUBJLZ-SNVBAGLBSA-N 2 2 271.365 -0.348 20 0 CBADLP COC(CC[NH+]1CCN(C(=O)C[NH+](C)C)CC1)OC ZINC000851726175 583523935 /nfs/dbraw/zinc/52/39/35/583523935.db2.gz MDZGSSMXXFAGJA-UHFFFAOYSA-N 2 2 273.377 -0.299 20 0 CBADLP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2cnon2)CC1 ZINC000851837546 583528234 /nfs/dbraw/zinc/52/82/34/583528234.db2.gz YUINXJABQCDZGQ-UHFFFAOYSA-N 2 2 281.360 -0.041 20 0 CBADLP COC(=O)[C@@H]1OCC[C@@H]1[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000852416989 583545099 /nfs/dbraw/zinc/54/50/99/583545099.db2.gz OUUCWSCCMYGOPZ-SDDRHHMPSA-N 2 2 272.345 -0.637 20 0 CBADLP CN1CC[N@H+](C[C@H](O)C[NH+]2CCCC2)CCC1=O ZINC000852578873 583549317 /nfs/dbraw/zinc/54/93/17/583549317.db2.gz BVHUWBCHICSTDJ-GFCCVEGCSA-N 2 2 255.362 -0.393 20 0 CBADLP CN1CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)CCC1=O ZINC000852578873 583549318 /nfs/dbraw/zinc/54/93/18/583549318.db2.gz BVHUWBCHICSTDJ-GFCCVEGCSA-N 2 2 255.362 -0.393 20 0 CBADLP O=C1OCCN1CC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000852710791 583550772 /nfs/dbraw/zinc/55/07/72/583550772.db2.gz WLDDECFKYQWYIV-ZDUSSCGKSA-N 2 2 283.372 -0.030 20 0 CBADLP O=C1OCCN1CC[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000852710791 583550774 /nfs/dbraw/zinc/55/07/74/583550774.db2.gz WLDDECFKYQWYIV-ZDUSSCGKSA-N 2 2 283.372 -0.030 20 0 CBADLP C[NH+](C)CCC[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)CCO1 ZINC000852761755 583552263 /nfs/dbraw/zinc/55/22/63/583552263.db2.gz ZSEOBXPZCWWNLU-VXGBXAGGSA-N 2 2 283.372 -0.166 20 0 CBADLP C[NH+](C)CCC[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)CCO1 ZINC000852761755 583552264 /nfs/dbraw/zinc/55/22/64/583552264.db2.gz ZSEOBXPZCWWNLU-VXGBXAGGSA-N 2 2 283.372 -0.166 20 0 CBADLP [NH3+]C[C@H]1CC(C(=O)NCCc2cn3c([nH+]2)CCCC3)=NO1 ZINC000852859867 583562110 /nfs/dbraw/zinc/56/21/10/583562110.db2.gz CGDGHSSBPXHSRZ-LLVKDONJSA-N 2 2 291.355 -0.018 20 0 CBADLP CN(C)c1[nH+]cccc1CNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852859645 583562197 /nfs/dbraw/zinc/56/21/97/583562197.db2.gz YCQJYBNNDRTKFI-SNVBAGLBSA-N 2 2 277.328 -0.133 20 0 CBADLP [NH3+]C[C@H]1CC(C(=O)NCCCCn2cc[nH+]c2)=NO1 ZINC000852861393 583562856 /nfs/dbraw/zinc/56/28/56/583562856.db2.gz UDVJDOIHGVEDDJ-SNVBAGLBSA-N 2 2 265.317 -0.117 20 0 CBADLP C[C@H]([C@H](C)NC(=O)C1=NO[C@H](C[NH3+])C1)[NH+]1CCOCC1 ZINC000852867365 583564330 /nfs/dbraw/zinc/56/43/30/583564330.db2.gz UYXQCPGZVFKAPC-AXFHLTTASA-N 2 2 284.360 -0.685 20 0 CBADLP [NH3+]C[C@H]1CC(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)=NO1 ZINC000852906748 583573339 /nfs/dbraw/zinc/57/33/39/583573339.db2.gz QHUONFVQZZOLPS-WDEREUQCSA-N 2 2 282.344 -0.977 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1COC(=O)N1 ZINC000855415407 583639012 /nfs/dbraw/zinc/63/90/12/583639012.db2.gz XNXLGVNAWPVEDG-JTQLQIEISA-N 2 2 272.349 -0.906 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1COC(=O)N1 ZINC000855415407 583639014 /nfs/dbraw/zinc/63/90/14/583639014.db2.gz XNXLGVNAWPVEDG-JTQLQIEISA-N 2 2 272.349 -0.906 20 0 CBADLP C[C@H]([NH3+])CCNC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000857109439 583665330 /nfs/dbraw/zinc/66/53/30/583665330.db2.gz KGVAIZIXJMFRRL-SDDRHHMPSA-N 2 2 270.377 -0.114 20 0 CBADLP C[C@H]([NH3+])CCNC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000857109439 583665331 /nfs/dbraw/zinc/66/53/31/583665331.db2.gz KGVAIZIXJMFRRL-SDDRHHMPSA-N 2 2 270.377 -0.114 20 0 CBADLP C[C@H]([NH3+])CCNC(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000857112947 583665789 /nfs/dbraw/zinc/66/57/89/583665789.db2.gz KTXYMYOVGTYFJH-LBPRGKRZSA-N 2 2 294.403 -0.015 20 0 CBADLP O=C(CC[NH+]1CCOCC1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000857888658 583684935 /nfs/dbraw/zinc/68/49/35/583684935.db2.gz YPYINKFSMIHEIG-NSHDSACASA-N 2 2 264.329 -0.354 20 0 CBADLP C[C@@H]([NH3+])CN(C)C(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000861573348 583771294 /nfs/dbraw/zinc/77/12/94/583771294.db2.gz GCBZTTDSRKBTEE-VXGBXAGGSA-N 2 2 271.409 -0.389 20 0 CBADLP COC(=O)C1=CC[C@@H](NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])C1 ZINC000861657437 583776082 /nfs/dbraw/zinc/77/60/82/583776082.db2.gz BBDBVUOUJAXCSA-VXGBXAGGSA-N 2 2 296.371 -0.468 20 0 CBADLP COC(=O)C1=CC[C@@H](NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])C1 ZINC000861657437 583776084 /nfs/dbraw/zinc/77/60/84/583776084.db2.gz BBDBVUOUJAXCSA-VXGBXAGGSA-N 2 2 296.371 -0.468 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1CCOC(=O)N1 ZINC000862171202 583801907 /nfs/dbraw/zinc/80/19/07/583801907.db2.gz BQAQRQHPHGIUDO-NSHDSACASA-N 2 2 286.376 -0.515 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1CCOC(=O)N1 ZINC000862171202 583801909 /nfs/dbraw/zinc/80/19/09/583801909.db2.gz BQAQRQHPHGIUDO-NSHDSACASA-N 2 2 286.376 -0.515 20 0 CBADLP C=CC(=O)N(C)CC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000862172475 583802197 /nfs/dbraw/zinc/80/21/97/583802197.db2.gz YLILBKJPFOSLDN-UHFFFAOYSA-N 2 2 284.404 -0.370 20 0 CBADLP C=CC(=O)N(C)CC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000862172475 583802200 /nfs/dbraw/zinc/80/22/00/583802200.db2.gz YLILBKJPFOSLDN-UHFFFAOYSA-N 2 2 284.404 -0.370 20 0 CBADLP C[N@@H+]1CCC[C@@H]1CNC(=S)NCC[NH+]1CCOCC1 ZINC000863214674 583834206 /nfs/dbraw/zinc/83/42/06/583834206.db2.gz DKWMCDXACFBTMY-GFCCVEGCSA-N 2 2 286.445 -0.123 20 0 CBADLP C[N@H+]1CCC[C@@H]1CNC(=S)NCC[NH+]1CCOCC1 ZINC000863214674 583834208 /nfs/dbraw/zinc/83/42/08/583834208.db2.gz DKWMCDXACFBTMY-GFCCVEGCSA-N 2 2 286.445 -0.123 20 0 CBADLP COC(=O)[C@H](C)[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863550164 583846492 /nfs/dbraw/zinc/84/64/92/583846492.db2.gz ZVKZBEFIQLWMEL-WCQGTBRESA-N 2 2 297.355 -0.195 20 0 CBADLP CCOC(=O)C[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863549731 583846515 /nfs/dbraw/zinc/84/65/15/583846515.db2.gz QDENHAHGWKQBRE-NEPJUHHUSA-N 2 2 297.355 -0.194 20 0 CBADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C[C@@H](O)C1CC1 ZINC000863570168 583847170 /nfs/dbraw/zinc/84/71/70/583847170.db2.gz FBMYFTFIHNQJBF-NWDGAFQWSA-N 2 2 255.362 -0.313 20 0 CBADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C[C@@H](O)C1CC1 ZINC000863570168 583847172 /nfs/dbraw/zinc/84/71/72/583847172.db2.gz FBMYFTFIHNQJBF-NWDGAFQWSA-N 2 2 255.362 -0.313 20 0 CBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C[C@H]([NH3+])C1CC1 ZINC000863582234 583847647 /nfs/dbraw/zinc/84/76/47/583847647.db2.gz DUEOQPAZZBRVMP-OLZOCXBDSA-N 2 2 285.388 -0.735 20 0 CBADLP C[N@H+](CC(=O)N1CCC[NH+](CC(N)=O)CC1)C1CCC1 ZINC000863858467 583860326 /nfs/dbraw/zinc/86/03/26/583860326.db2.gz BNPUMUUJQFXDLA-UHFFFAOYSA-N 2 2 282.388 -0.510 20 0 CBADLP C[N@@H+](CC(=O)N1CCC[NH+](CC(N)=O)CC1)C1CCC1 ZINC000863858467 583860328 /nfs/dbraw/zinc/86/03/28/583860328.db2.gz BNPUMUUJQFXDLA-UHFFFAOYSA-N 2 2 282.388 -0.510 20 0 CBADLP C[NH+](CC(=O)N1CCC[N@H+](CC(N)=O)CC1)C1CCC1 ZINC000863858467 583860329 /nfs/dbraw/zinc/86/03/29/583860329.db2.gz BNPUMUUJQFXDLA-UHFFFAOYSA-N 2 2 282.388 -0.510 20 0 CBADLP C[NH+](CC(=O)N1CCC[N@@H+](CC(N)=O)CC1)C1CCC1 ZINC000863858467 583860331 /nfs/dbraw/zinc/86/03/31/583860331.db2.gz BNPUMUUJQFXDLA-UHFFFAOYSA-N 2 2 282.388 -0.510 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000864080528 583872478 /nfs/dbraw/zinc/87/24/78/583872478.db2.gz HCBOXLHZQXUDOC-QWHCGFSZSA-N 2 2 283.372 -0.846 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000864080528 583872479 /nfs/dbraw/zinc/87/24/79/583872479.db2.gz HCBOXLHZQXUDOC-QWHCGFSZSA-N 2 2 283.372 -0.846 20 0 CBADLP COC(=O)Cc1cn(CC[N@H+](C)CCC[NH+](C)C)nn1 ZINC000864645588 583885491 /nfs/dbraw/zinc/88/54/91/583885491.db2.gz FVJIHHHOXNIYBK-UHFFFAOYSA-N 2 2 283.376 -0.123 20 0 CBADLP COC(=O)Cc1cn(CC[N@@H+](C)CCC[NH+](C)C)nn1 ZINC000864645588 583885493 /nfs/dbraw/zinc/88/54/93/583885493.db2.gz FVJIHHHOXNIYBK-UHFFFAOYSA-N 2 2 283.376 -0.123 20 0 CBADLP CC(C)(O)C[NH+]1CCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)CC1 ZINC000865196719 583900434 /nfs/dbraw/zinc/90/04/34/583900434.db2.gz PDCXOPAYCAPSBH-NSHDSACASA-N 2 2 282.344 -0.642 20 0 CBADLP [NH3+]CC12CCC(CC1)N2C(=O)NCC[NH+]1CCOCC1 ZINC000865344112 583903781 /nfs/dbraw/zinc/90/37/81/583903781.db2.gz ZUJBIGBHGAZGAT-UHFFFAOYSA-N 2 2 282.388 -0.016 20 0 CBADLP CN(C(=O)[C@@H](O)c1c[nH+]c[nH]1)[C@H]1C[NH+]2CCC1CC2 ZINC000865712681 583908086 /nfs/dbraw/zinc/90/80/86/583908086.db2.gz DUCYGGXMDNNBBH-RYUDHWBXSA-N 2 2 264.329 -0.004 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H]3CCC(=O)O3)C2)CC1 ZINC000865749101 583908534 /nfs/dbraw/zinc/90/85/34/583908534.db2.gz NPTMOAUCJSHDPC-DGCLKSJQSA-N 2 2 295.383 -0.023 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@H]3CCC(=O)O3)C2)CC1 ZINC000865749101 583908535 /nfs/dbraw/zinc/90/85/35/583908535.db2.gz NPTMOAUCJSHDPC-DGCLKSJQSA-N 2 2 295.383 -0.023 20 0 CBADLP C[N@@H+]1CC[C@H]2C[NH+](CCN3CC[NH2+]CC3)CC[C@@H]21 ZINC000866703361 583927726 /nfs/dbraw/zinc/92/77/26/583927726.db2.gz HQKXUDYBSKBANM-KBPBESRZSA-N 3 2 252.406 -0.082 20 0 CBADLP C[N@H+]1CC[C@H]2C[NH+](CCN3CC[NH2+]CC3)CC[C@@H]21 ZINC000866703361 583927727 /nfs/dbraw/zinc/92/77/27/583927727.db2.gz HQKXUDYBSKBANM-KBPBESRZSA-N 3 2 252.406 -0.082 20 0 CBADLP C[NH+]1CC[C@H]2C[N@H+](CCN3CC[NH2+]CC3)CC[C@@H]21 ZINC000866703361 583927729 /nfs/dbraw/zinc/92/77/29/583927729.db2.gz HQKXUDYBSKBANM-KBPBESRZSA-N 3 2 252.406 -0.082 20 0 CBADLP C[NH+]1CC[C@H]2C[N@@H+](CCN3CC[NH2+]CC3)CC[C@@H]21 ZINC000866703361 583927730 /nfs/dbraw/zinc/92/77/30/583927730.db2.gz HQKXUDYBSKBANM-KBPBESRZSA-N 3 2 252.406 -0.082 20 0 CBADLP C[NH2+]CCC[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866714817 583928394 /nfs/dbraw/zinc/92/83/94/583928394.db2.gz YDROQPCAACKPRW-UTUOFQBUSA-N 3 2 268.361 -0.537 20 0 CBADLP C[NH2+]CCC[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866714817 583928395 /nfs/dbraw/zinc/92/83/95/583928395.db2.gz YDROQPCAACKPRW-UTUOFQBUSA-N 3 2 268.361 -0.537 20 0 CBADLP O=C1NCCO[C@@H]2CCC[N@H+](C[C@H]3CC[NH2+]C3)[C@H]12 ZINC000866717945 583928619 /nfs/dbraw/zinc/92/86/19/583928619.db2.gz USFSIKVHJSKKBQ-TUAOUCFPSA-N 2 2 253.346 -0.425 20 0 CBADLP O=C1NCCO[C@@H]2CCC[N@@H+](C[C@H]3CC[NH2+]C3)[C@H]12 ZINC000866717945 583928621 /nfs/dbraw/zinc/92/86/21/583928621.db2.gz USFSIKVHJSKKBQ-TUAOUCFPSA-N 2 2 253.346 -0.425 20 0 CBADLP CNC(=O)NC(=O)CC[N@@H+]1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000866723116 583928905 /nfs/dbraw/zinc/92/89/05/583928905.db2.gz DKQYCMFGLCMNOL-ZJUUUORDSA-N 2 2 254.334 -0.342 20 0 CBADLP CNC(=O)NC(=O)CC[N@H+]1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000866723116 583928907 /nfs/dbraw/zinc/92/89/07/583928907.db2.gz DKQYCMFGLCMNOL-ZJUUUORDSA-N 2 2 254.334 -0.342 20 0 CBADLP CC[C@H](CO)[NH+]1CCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)CC1 ZINC000866810866 583933645 /nfs/dbraw/zinc/93/36/45/583933645.db2.gz XIPSFVSWNOGFNO-PWSUYJOCSA-N 2 2 282.344 -0.642 20 0 CBADLP O=C(/C=C\C[NH+]1CCOCC1)NCC[NH+]1CCC1 ZINC000866906521 583936418 /nfs/dbraw/zinc/93/64/18/583936418.db2.gz KWQKGRPNQKBGKR-IWQZZHSRSA-N 2 2 253.346 -0.303 20 0 CBADLP C[N@@H+]1CCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)C(C)(C)C1 ZINC000867122033 583941427 /nfs/dbraw/zinc/94/14/27/583941427.db2.gz JWMSJXNYANCPQO-JTQLQIEISA-N 2 2 252.318 -0.004 20 0 CBADLP C[N@H+]1CCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)C(C)(C)C1 ZINC000867122033 583941428 /nfs/dbraw/zinc/94/14/28/583941428.db2.gz JWMSJXNYANCPQO-JTQLQIEISA-N 2 2 252.318 -0.004 20 0 CBADLP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[NH+](C)CC3)CC[C@@H]21 ZINC000867801315 583963466 /nfs/dbraw/zinc/96/34/66/583963466.db2.gz MOEOGADPCYXQDQ-OLZOCXBDSA-N 2 2 294.399 -0.687 20 0 CBADLP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[NH+](C)CC3)CC[C@@H]21 ZINC000867801315 583963468 /nfs/dbraw/zinc/96/34/68/583963468.db2.gz MOEOGADPCYXQDQ-OLZOCXBDSA-N 2 2 294.399 -0.687 20 0 CBADLP C[NH+](C)C[C@@]1(O)CCCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)C1 ZINC000867848080 583965025 /nfs/dbraw/zinc/96/50/25/583965025.db2.gz KUOUJGZCQQUJKG-YPMHNXCESA-N 2 2 282.344 -0.642 20 0 CBADLP C[NH+](C)C[C@@]1(O)CCCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)C1 ZINC000867848077 583965115 /nfs/dbraw/zinc/96/51/15/583965115.db2.gz KUOUJGZCQQUJKG-AAEUAGOBSA-N 2 2 282.344 -0.642 20 0 CBADLP C[N@@H+]1CCN(C(=O)Nc2ccn(CCF)n2)[C@@H](C[NH3+])C1 ZINC000868199082 583972341 /nfs/dbraw/zinc/97/23/41/583972341.db2.gz PEGGELDGSWALPZ-JTQLQIEISA-N 2 2 284.339 -0.041 20 0 CBADLP C[N@H+]1CCN(C(=O)Nc2ccn(CCF)n2)[C@@H](C[NH3+])C1 ZINC000868199082 583972342 /nfs/dbraw/zinc/97/23/42/583972342.db2.gz PEGGELDGSWALPZ-JTQLQIEISA-N 2 2 284.339 -0.041 20 0 CBADLP C[N@@H+]1CCn2nc(NC(=O)NC3C[NH2+]C3)cc2C1 ZINC000868205448 583972631 /nfs/dbraw/zinc/97/26/31/583972631.db2.gz MESIRHFSBVFCAJ-UHFFFAOYSA-N 2 2 250.306 -0.578 20 0 CBADLP C[N@H+]1CCn2nc(NC(=O)NC3C[NH2+]C3)cc2C1 ZINC000868205448 583972633 /nfs/dbraw/zinc/97/26/33/583972633.db2.gz MESIRHFSBVFCAJ-UHFFFAOYSA-N 2 2 250.306 -0.578 20 0 CBADLP C[NH2+]CCNC(=O)Nc1cc2n(n1)CC[N@H+](C)C2 ZINC000868205438 583972662 /nfs/dbraw/zinc/97/26/62/583972662.db2.gz LQYVVGCQAAJRNX-UHFFFAOYSA-N 2 2 252.322 -0.331 20 0 CBADLP C[NH2+]CCNC(=O)Nc1cc2n(n1)CC[N@@H+](C)C2 ZINC000868205438 583972665 /nfs/dbraw/zinc/97/26/65/583972665.db2.gz LQYVVGCQAAJRNX-UHFFFAOYSA-N 2 2 252.322 -0.331 20 0 CBADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000868415219 583978522 /nfs/dbraw/zinc/97/85/22/583978522.db2.gz CKHCWHAQHUJVTR-QWRGUYRKSA-N 2 2 291.355 -0.279 20 0 CBADLP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@H](O)c2c[nH+]c[nH]2)C1 ZINC000868519566 583980553 /nfs/dbraw/zinc/98/05/53/583980553.db2.gz CKUWRIXNOBKJDT-INTQDDNPSA-N 2 2 250.302 -0.394 20 0 CBADLP C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@H](O)c2c[nH+]c[nH]2)C1 ZINC000868519566 583980555 /nfs/dbraw/zinc/98/05/55/583980555.db2.gz CKUWRIXNOBKJDT-INTQDDNPSA-N 2 2 250.302 -0.394 20 0 CBADLP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@@H](O)c2c[nH+]c[nH]2)C1 ZINC000868519569 583980569 /nfs/dbraw/zinc/98/05/69/583980569.db2.gz CKUWRIXNOBKJDT-LSJOCFKGSA-N 2 2 250.302 -0.394 20 0 CBADLP C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@@H](O)c2c[nH+]c[nH]2)C1 ZINC000868519569 583980570 /nfs/dbraw/zinc/98/05/70/583980570.db2.gz CKUWRIXNOBKJDT-LSJOCFKGSA-N 2 2 250.302 -0.394 20 0 CBADLP CC[C@H]1C[N@H+](C)CCN1C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000868587254 583982173 /nfs/dbraw/zinc/98/21/73/583982173.db2.gz XXYMMNXYEGAFFV-GXSJLCMTSA-N 2 2 252.318 -0.004 20 0 CBADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000868587254 583982175 /nfs/dbraw/zinc/98/21/75/583982175.db2.gz XXYMMNXYEGAFFV-GXSJLCMTSA-N 2 2 252.318 -0.004 20 0 CBADLP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](O)c3c[nH+]c[nH]3)C[C@@H]21 ZINC000868717341 583984641 /nfs/dbraw/zinc/98/46/41/583984641.db2.gz OPBNTXLXEQSTFI-DVVUODLYSA-N 2 2 250.302 -0.394 20 0 CBADLP C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](O)c3c[nH+]c[nH]3)C[C@@H]21 ZINC000868717341 583984642 /nfs/dbraw/zinc/98/46/42/583984642.db2.gz OPBNTXLXEQSTFI-DVVUODLYSA-N 2 2 250.302 -0.394 20 0 CBADLP COC(=O)[C@H]1CN(C(=O)[C@H](O)c2c[nH+]c[nH]2)CC[N@H+](C)C1 ZINC000868866383 583988483 /nfs/dbraw/zinc/98/84/83/583988483.db2.gz SQKMHCOALVTVEC-MWLCHTKSSA-N 2 2 296.327 -0.994 20 0 CBADLP COC(=O)[C@H]1CN(C(=O)[C@H](O)c2c[nH+]c[nH]2)CC[N@@H+](C)C1 ZINC000868866383 583988484 /nfs/dbraw/zinc/98/84/84/583988484.db2.gz SQKMHCOALVTVEC-MWLCHTKSSA-N 2 2 296.327 -0.994 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)[C@@H](C)C[N@@H+]1CCO ZINC000868896518 583989182 /nfs/dbraw/zinc/98/91/82/583989182.db2.gz NHZTTWQEBXYGMV-SCVCMEIPSA-N 2 2 282.344 -0.643 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)[C@@H](C)C[N@H+]1CCO ZINC000868896518 583989184 /nfs/dbraw/zinc/98/91/84/583989184.db2.gz NHZTTWQEBXYGMV-SCVCMEIPSA-N 2 2 282.344 -0.643 20 0 CBADLP CN(C[C@H]1CCC[N@@H+]1C)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000868926626 583990051 /nfs/dbraw/zinc/99/00/51/583990051.db2.gz BFRHYNYQQUECNA-MWLCHTKSSA-N 2 2 252.318 -0.004 20 0 CBADLP CN(C[C@H]1CCC[N@H+]1C)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000868926626 583990052 /nfs/dbraw/zinc/99/00/52/583990052.db2.gz BFRHYNYQQUECNA-MWLCHTKSSA-N 2 2 252.318 -0.004 20 0 CBADLP CCN(C(=O)[C@H](O)c1c[nH+]c[nH]1)[C@@H]1CC[N@H+](C)C1 ZINC000869240159 583996145 /nfs/dbraw/zinc/99/61/45/583996145.db2.gz XDKIDKGCIOCEQQ-MWLCHTKSSA-N 2 2 252.318 -0.004 20 0 CBADLP CCN(C(=O)[C@H](O)c1c[nH+]c[nH]1)[C@@H]1CC[N@@H+](C)C1 ZINC000869240159 583996147 /nfs/dbraw/zinc/99/61/47/583996147.db2.gz XDKIDKGCIOCEQQ-MWLCHTKSSA-N 2 2 252.318 -0.004 20 0 CBADLP CC[C@@]1(C(=O)NCC[N@H+](C)CCC[NH+](C)C)CCNC1=O ZINC000869242098 583996189 /nfs/dbraw/zinc/99/61/89/583996189.db2.gz HNLRPSOWIMRJJU-OAHLLOKOSA-N 2 2 298.431 -0.098 20 0 CBADLP CC[C@@]1(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)CCNC1=O ZINC000869242098 583996191 /nfs/dbraw/zinc/99/61/91/583996191.db2.gz HNLRPSOWIMRJJU-OAHLLOKOSA-N 2 2 298.431 -0.098 20 0 CBADLP CN(CC1C[NH+](C)C1)C(=O)/C=C\C[NH+]1CCOCC1 ZINC000869256348 583996624 /nfs/dbraw/zinc/99/66/24/583996624.db2.gz UXCPJUPCZATKAG-ARJAWSKDSA-N 2 2 267.373 -0.105 20 0 CBADLP O=C(/C=C\C[NH+]1CCOCC1)NCC[N@H+]1CC[C@@H](O)C1 ZINC000869462361 584000116 /nfs/dbraw/zinc/00/01/16/584000116.db2.gz RFNSLVQCZMNCPO-UIIMQBOASA-N 2 2 283.372 -0.942 20 0 CBADLP O=C(/C=C\C[NH+]1CCOCC1)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000869462361 584000118 /nfs/dbraw/zinc/00/01/18/584000118.db2.gz RFNSLVQCZMNCPO-UIIMQBOASA-N 2 2 283.372 -0.942 20 0 CBADLP C[NH+](C)C1(C(=O)N2CCO[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC000870058672 584007886 /nfs/dbraw/zinc/00/78/86/584007886.db2.gz UUXMYROTBIZOFY-CYBMUJFWSA-N 2 2 297.399 -0.360 20 0 CBADLP O=C(CCC12CC(C1)C[NH2+]2)NCC[NH+]1CCOCC1 ZINC000870854889 584019761 /nfs/dbraw/zinc/01/97/61/584019761.db2.gz JHINXYPKZFLMOW-UHFFFAOYSA-N 2 2 267.373 -0.033 20 0 CBADLP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)CNC(=O)C[NH3+] ZINC000870978979 584023903 /nfs/dbraw/zinc/02/39/03/584023903.db2.gz DXSOAJUCNDOYCT-GFCCVEGCSA-N 2 2 276.340 -0.636 20 0 CBADLP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)CNC(=O)C[NH3+] ZINC000870978979 584023905 /nfs/dbraw/zinc/02/39/05/584023905.db2.gz DXSOAJUCNDOYCT-GFCCVEGCSA-N 2 2 276.340 -0.636 20 0 CBADLP C[S@](=N)(=O)N1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000872146360 584048173 /nfs/dbraw/zinc/04/81/73/584048173.db2.gz MGKZRAWREDIPGM-JEOXALJRSA-N 2 2 288.417 -0.283 20 0 CBADLP CC(C)(O)C[N@@H+]1CC[C@H]([NH2+]C[C@H](O)Cn2cccn2)C1 ZINC000872218515 584050733 /nfs/dbraw/zinc/05/07/33/584050733.db2.gz PAXIZXHBMFXRDZ-STQMWFEESA-N 2 2 282.388 -0.321 20 0 CBADLP CC(C)(O)C[N@H+]1CC[C@H]([NH2+]C[C@H](O)Cn2cccn2)C1 ZINC000872218515 584050735 /nfs/dbraw/zinc/05/07/35/584050735.db2.gz PAXIZXHBMFXRDZ-STQMWFEESA-N 2 2 282.388 -0.321 20 0 CBADLP COCCOC[C@@H](O)C[NH2+][C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000872218305 584050742 /nfs/dbraw/zinc/05/07/42/584050742.db2.gz MEFWSJYPQZFLAV-STQMWFEESA-N 2 2 290.404 -0.555 20 0 CBADLP COCCOC[C@@H](O)C[NH2+][C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000872218305 584050743 /nfs/dbraw/zinc/05/07/43/584050743.db2.gz MEFWSJYPQZFLAV-STQMWFEESA-N 2 2 290.404 -0.555 20 0 CBADLP Nc1cnc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)cn1 ZINC000873210742 584068957 /nfs/dbraw/zinc/06/89/57/584068957.db2.gz PZFPGDQTWDKITK-LBPRGKRZSA-N 2 2 262.361 -0.462 20 0 CBADLP Cn1cc(C[NH2+][C@]23CCC[C@H]2[NH2+]CC3)c(=O)n(C)c1=O ZINC000873230186 584069264 /nfs/dbraw/zinc/06/92/64/584069264.db2.gz NGHXTNNYAVSRLT-RISCZKNCSA-N 2 2 278.356 -0.542 20 0 CBADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CC(C)(C)CS(N)(=O)=O ZINC000873261776 584069521 /nfs/dbraw/zinc/06/95/21/584069521.db2.gz GVZJUGDEPGMKTI-VHSXEESVSA-N 2 2 263.407 -0.111 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C[NH+]1CCCC1 ZINC000874041011 584076159 /nfs/dbraw/zinc/07/61/59/584076159.db2.gz KLHBYWZUCJGUPL-GFCCVEGCSA-N 2 2 255.362 -0.081 20 0 CBADLP C[NH+](C)CC1(C(=O)N2CCC[N@H+](CC(N)=O)CC2)CC1 ZINC000874352895 584082054 /nfs/dbraw/zinc/08/20/54/584082054.db2.gz WPCGRXDRLRUNEM-UHFFFAOYSA-N 2 2 282.388 -0.652 20 0 CBADLP C[NH+](C)CC1(C(=O)N2CCC[N@@H+](CC(N)=O)CC2)CC1 ZINC000874352895 584082055 /nfs/dbraw/zinc/08/20/55/584082055.db2.gz WPCGRXDRLRUNEM-UHFFFAOYSA-N 2 2 282.388 -0.652 20 0 CBADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)CC[NH+]1CCOCC1 ZINC000874702352 584089071 /nfs/dbraw/zinc/08/90/71/584089071.db2.gz FMFIYPRPQGXYCR-CQSZACIVSA-N 2 2 299.415 -0.064 20 0 CBADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)CC[NH+]1CCOCC1 ZINC000874702352 584089074 /nfs/dbraw/zinc/08/90/74/584089074.db2.gz FMFIYPRPQGXYCR-CQSZACIVSA-N 2 2 299.415 -0.064 20 0 CBADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)CN1CC[NH+](C)CC1 ZINC000874701804 584089184 /nfs/dbraw/zinc/08/91/84/584089184.db2.gz DMARKBMYLZJGLX-CQSZACIVSA-N 2 2 298.431 -0.539 20 0 CBADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)CN1CC[NH+](C)CC1 ZINC000874701804 584089187 /nfs/dbraw/zinc/08/91/87/584089187.db2.gz DMARKBMYLZJGLX-CQSZACIVSA-N 2 2 298.431 -0.539 20 0 CBADLP [NH3+]C[C@@H]1CCN(C(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000876517797 584130862 /nfs/dbraw/zinc/13/08/62/584130862.db2.gz DEFQEGLBLPWHCI-BIOMNHJASA-N 2 2 253.346 -0.318 20 0 CBADLP CN1C(=O)CS/C1=C/C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000876542470 584132851 /nfs/dbraw/zinc/13/28/51/584132851.db2.gz PICQPMJAZVOAQR-JOZRWXFHSA-N 2 2 284.385 -0.866 20 0 CBADLP CN1C(=O)CS/C1=C/C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000876542470 584132853 /nfs/dbraw/zinc/13/28/53/584132853.db2.gz PICQPMJAZVOAQR-JOZRWXFHSA-N 2 2 284.385 -0.866 20 0 CBADLP O=C(NCC[NH+]1CCOCC1)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876707493 584140466 /nfs/dbraw/zinc/14/04/66/584140466.db2.gz ICRHILYYABERJH-GHMZBOCLSA-N 2 2 259.325 -0.618 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@H](F)[C@@H]2CC[NH2+]C2)CC1 ZINC000876715708 584140632 /nfs/dbraw/zinc/14/06/32/584140632.db2.gz PRRPRFUPNUJIIK-VXGBXAGGSA-N 2 2 273.352 -0.275 20 0 CBADLP C[NH+](C)C[C@H](N)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000876717130 584140741 /nfs/dbraw/zinc/14/07/41/584140741.db2.gz XGMLNZUVURMARI-LBPRGKRZSA-N 2 2 275.356 -0.118 20 0 CBADLP C[C@@H](CNC(=O)[C@@H](N)C[NH+](C)C)Cn1cc[nH+]c1 ZINC000876730403 584141398 /nfs/dbraw/zinc/14/13/98/584141398.db2.gz FTZPEBQBCGJBQE-QWRGUYRKSA-N 2 2 253.350 -0.476 20 0 CBADLP C[NH+](C)C[C@H](N)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000876733235 584141578 /nfs/dbraw/zinc/14/15/78/584141578.db2.gz SDRLYLGRGXHVMZ-OLZOCXBDSA-N 2 2 284.404 -0.802 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)CCO1 ZINC000876746641 584141934 /nfs/dbraw/zinc/14/19/34/584141934.db2.gz MNCVAJRWPXYSNY-UTLUCORTSA-N 2 2 277.315 -0.337 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)CCO1 ZINC000876746641 584141936 /nfs/dbraw/zinc/14/19/36/584141936.db2.gz MNCVAJRWPXYSNY-UTLUCORTSA-N 2 2 277.315 -0.337 20 0 CBADLP C[NH+](C)C[C@H](N)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000876776991 584143919 /nfs/dbraw/zinc/14/39/19/584143919.db2.gz MTLAGNUSPCVLOD-ZDUSSCGKSA-N 3 2 285.436 -0.983 20 0 CBADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000876811930 584147454 /nfs/dbraw/zinc/14/74/54/584147454.db2.gz ITQLRNNBDZQWKS-FAQRPARDSA-N 2 2 267.373 -0.011 20 0 CBADLP CC[NH2+][C@H](C)CNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000876837657 584148535 /nfs/dbraw/zinc/14/85/35/584148535.db2.gz STYCGFLEMDJZGR-QMAVJUDZSA-N 2 2 255.362 -0.011 20 0 CBADLP CN(C(=O)/C=C/C[NH+]1CCOCC1)C1CC([NH3+])C1 ZINC000876861768 584150515 /nfs/dbraw/zinc/15/05/15/584150515.db2.gz GKCUIFIOJLELSK-NSCUHMNNSA-N 2 2 253.346 -0.177 20 0 CBADLP O=C(/C=C\C[NH+]1CCOCC1)NC[C@H]1C[NH2+]CCCO1 ZINC000876871915 584151915 /nfs/dbraw/zinc/15/19/15/584151915.db2.gz ZXMLXPCVPIBGBO-GIDQFRGBSA-N 2 2 283.372 -0.631 20 0 CBADLP C[C@@H](C(=O)N1CC[C@]2(CCC[NH2+]2)C1)N1CC[NH2+]CC1=O ZINC000876925088 584155906 /nfs/dbraw/zinc/15/59/06/584155906.db2.gz TUTJTFJRWYUBEG-SMDDNHRTSA-N 2 2 280.372 -0.839 20 0 CBADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@@H](N)C[NH+](C)C ZINC000876971922 584159252 /nfs/dbraw/zinc/15/92/52/584159252.db2.gz GRFVGCAHFJGYNA-ZJUUUORDSA-N 2 2 253.350 -0.031 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)C=C1CC[NH2+]CC1 ZINC000877034555 584162699 /nfs/dbraw/zinc/16/26/99/584162699.db2.gz KHOFKQPOBMCVFF-LBPRGKRZSA-N 2 2 253.346 -0.257 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)C=C1CC[NH2+]CC1 ZINC000877034555 584162702 /nfs/dbraw/zinc/16/27/02/584162702.db2.gz KHOFKQPOBMCVFF-LBPRGKRZSA-N 2 2 253.346 -0.257 20 0 CBADLP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000877034426 584162790 /nfs/dbraw/zinc/16/27/90/584162790.db2.gz HSQPQDASRMTWDI-SPZUQMAPSA-N 2 2 267.373 -0.155 20 0 CBADLP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]1COCC[N@H+]1C ZINC000877034426 584162791 /nfs/dbraw/zinc/16/27/91/584162791.db2.gz HSQPQDASRMTWDI-SPZUQMAPSA-N 2 2 267.373 -0.155 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000877034190 584162793 /nfs/dbraw/zinc/16/27/93/584162793.db2.gz AZTKKUSPKZNXHY-TUAOUCFPSA-N 2 2 255.362 -0.049 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000877034190 584162794 /nfs/dbraw/zinc/16/27/94/584162794.db2.gz AZTKKUSPKZNXHY-TUAOUCFPSA-N 2 2 255.362 -0.049 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)/C=C\[C@@H]1CCC[NH2+]C1 ZINC000877034185 584162802 /nfs/dbraw/zinc/16/28/02/584162802.db2.gz ATMBSKMXLCNWCR-AIMRDXAKSA-N 2 2 267.373 -0.011 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)/C=C\[C@@H]1CCC[NH2+]C1 ZINC000877034185 584162803 /nfs/dbraw/zinc/16/28/03/584162803.db2.gz ATMBSKMXLCNWCR-AIMRDXAKSA-N 2 2 267.373 -0.011 20 0 CBADLP CN(CCOCC[NH3+])C(=O)/C=C/C[NH+]1CCOCC1 ZINC000877057041 584164497 /nfs/dbraw/zinc/16/44/97/584164497.db2.gz RUUBBUONANOJJC-NSCUHMNNSA-N 2 2 271.361 -0.692 20 0 CBADLP O=C(/C=C\C[NH+]1CCOCC1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877172553 584169086 /nfs/dbraw/zinc/16/90/86/584169086.db2.gz TTWOBNWNUBNVOW-JPIVSMNTSA-N 2 2 265.357 -0.162 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877187334 584169881 /nfs/dbraw/zinc/16/98/81/584169881.db2.gz NHANJXKZMGQEQB-UHFFFAOYSA-N 2 2 296.415 -0.075 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877187334 584169882 /nfs/dbraw/zinc/16/98/82/584169882.db2.gz NHANJXKZMGQEQB-UHFFFAOYSA-N 2 2 296.415 -0.075 20 0 CBADLP C[N@@H+]1CCn2nc(NC(=O)[C@]3(C)C[NH2+]CCO3)cc2C1 ZINC000877265885 584173872 /nfs/dbraw/zinc/17/38/72/584173872.db2.gz KLYSNGLCBOIOKC-ZDUSSCGKSA-N 2 2 279.344 -0.355 20 0 CBADLP C[N@H+]1CCn2nc(NC(=O)[C@]3(C)C[NH2+]CCO3)cc2C1 ZINC000877265885 584173873 /nfs/dbraw/zinc/17/38/73/584173873.db2.gz KLYSNGLCBOIOKC-ZDUSSCGKSA-N 2 2 279.344 -0.355 20 0 CBADLP C[N@@H+]1CCn2nc(NC(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)cc2C1 ZINC000877265405 584173897 /nfs/dbraw/zinc/17/38/97/584173897.db2.gz DZQQKWFXTGBXIH-IAZYJMLFSA-N 2 2 261.329 -0.268 20 0 CBADLP C[N@H+]1CCn2nc(NC(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)cc2C1 ZINC000877265405 584173899 /nfs/dbraw/zinc/17/38/99/584173899.db2.gz DZQQKWFXTGBXIH-IAZYJMLFSA-N 2 2 261.329 -0.268 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000877373570 584179887 /nfs/dbraw/zinc/17/98/87/584179887.db2.gz DAOIOAGNKOFRLQ-SWLSCSKDSA-N 2 2 296.415 -0.489 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000877373570 584179888 /nfs/dbraw/zinc/17/98/88/584179888.db2.gz DAOIOAGNKOFRLQ-SWLSCSKDSA-N 2 2 296.415 -0.489 20 0 CBADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000877432782 584181003 /nfs/dbraw/zinc/18/10/03/584181003.db2.gz HARTZEDFOJSNTQ-KBPBESRZSA-N 2 2 299.415 -0.018 20 0 CBADLP CC[C@H]1COCC[N@H+]1CCNC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000877432782 584181005 /nfs/dbraw/zinc/18/10/05/584181005.db2.gz HARTZEDFOJSNTQ-KBPBESRZSA-N 2 2 299.415 -0.018 20 0 CBADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)C[C@H]1C[NH2+]CCO1 ZINC000877433152 584181220 /nfs/dbraw/zinc/18/12/20/584181220.db2.gz KNSURJDECFJOJF-STQMWFEESA-N 2 2 285.388 -0.408 20 0 CBADLP CC[C@H]1COCC[N@H+]1CCNC(=O)C[C@H]1C[NH2+]CCO1 ZINC000877433152 584181221 /nfs/dbraw/zinc/18/12/21/584181221.db2.gz KNSURJDECFJOJF-STQMWFEESA-N 2 2 285.388 -0.408 20 0 CBADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000877433515 584181238 /nfs/dbraw/zinc/18/12/38/584181238.db2.gz VOUDCLJMIURHFT-NWDGAFQWSA-N 2 2 255.362 -0.035 20 0 CBADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000877433515 584181241 /nfs/dbraw/zinc/18/12/41/584181241.db2.gz VOUDCLJMIURHFT-NWDGAFQWSA-N 2 2 255.362 -0.035 20 0 CBADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000877434047 584181596 /nfs/dbraw/zinc/18/15/96/584181596.db2.gz MLMSRNKAIHRWGL-JSGCOSHPSA-N 2 2 285.388 -0.408 20 0 CBADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000877434047 584181597 /nfs/dbraw/zinc/18/15/97/584181597.db2.gz MLMSRNKAIHRWGL-JSGCOSHPSA-N 2 2 285.388 -0.408 20 0 CBADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)c1cnc(C[NH3+])nc1 ZINC000877434172 584181616 /nfs/dbraw/zinc/18/16/16/584181616.db2.gz OKZZXIBLGDSIKM-LBPRGKRZSA-N 2 2 293.371 -0.224 20 0 CBADLP CC[C@H]1COCC[N@H+]1CCNC(=O)c1cnc(C[NH3+])nc1 ZINC000877434172 584181618 /nfs/dbraw/zinc/18/16/18/584181618.db2.gz OKZZXIBLGDSIKM-LBPRGKRZSA-N 2 2 293.371 -0.224 20 0 CBADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000877433961 584181679 /nfs/dbraw/zinc/18/16/79/584181679.db2.gz KVGYKJIFQOAHAN-TUAOUCFPSA-N 2 2 255.362 -0.049 20 0 CBADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000877433961 584181681 /nfs/dbraw/zinc/18/16/81/584181681.db2.gz KVGYKJIFQOAHAN-TUAOUCFPSA-N 2 2 255.362 -0.049 20 0 CBADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)C[NH2+]C1CC1 ZINC000877434012 584181696 /nfs/dbraw/zinc/18/16/96/584181696.db2.gz LXUVITLZUYJZKT-LBPRGKRZSA-N 2 2 255.362 -0.035 20 0 CBADLP CC[C@H]1COCC[N@H+]1CCNC(=O)C[NH2+]C1CC1 ZINC000877434012 584181697 /nfs/dbraw/zinc/18/16/97/584181697.db2.gz LXUVITLZUYJZKT-LBPRGKRZSA-N 2 2 255.362 -0.035 20 0 CBADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)C[C@H]1COCC[NH2+]1 ZINC000877434812 584181906 /nfs/dbraw/zinc/18/19/06/584181906.db2.gz UXFQCYFTMKOIKD-QWHCGFSZSA-N 2 2 285.388 -0.408 20 0 CBADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)C[C@H]1COCC[NH2+]1 ZINC000877434812 584181908 /nfs/dbraw/zinc/18/19/08/584181908.db2.gz UXFQCYFTMKOIKD-QWHCGFSZSA-N 2 2 285.388 -0.408 20 0 CBADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000877434560 584181963 /nfs/dbraw/zinc/18/19/63/584181963.db2.gz SGPAXUPYVIDSFL-XQHKEYJVSA-N 2 2 267.373 -0.036 20 0 CBADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000877434560 584181965 /nfs/dbraw/zinc/18/19/65/584181965.db2.gz SGPAXUPYVIDSFL-XQHKEYJVSA-N 2 2 267.373 -0.036 20 0 CBADLP C[C@H](C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C)N1CC[NH2+]CC1=O ZINC000877451446 584182322 /nfs/dbraw/zinc/18/23/22/584182322.db2.gz MGTSVCCXQMHNBC-FRRDWIJNSA-N 2 2 294.399 -0.498 20 0 CBADLP C[C@H](C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2C)N1CC[NH2+]CC1=O ZINC000877451446 584182324 /nfs/dbraw/zinc/18/23/24/584182324.db2.gz MGTSVCCXQMHNBC-FRRDWIJNSA-N 2 2 294.399 -0.498 20 0 CBADLP C[C@H](C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2C)N1CC[NH2+]CC1=O ZINC000877451445 584182375 /nfs/dbraw/zinc/18/23/75/584182375.db2.gz MGTSVCCXQMHNBC-AGIUHOORSA-N 2 2 294.399 -0.498 20 0 CBADLP C[C@H](C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2C)N1CC[NH2+]CC1=O ZINC000877451445 584182377 /nfs/dbraw/zinc/18/23/77/584182377.db2.gz MGTSVCCXQMHNBC-AGIUHOORSA-N 2 2 294.399 -0.498 20 0 CBADLP CCC[N@H+](CC(=O)NC1CC[NH+](C)CC1)CC(=O)N(C)C ZINC000877987027 584189777 /nfs/dbraw/zinc/18/97/77/584189777.db2.gz XNNDBJURLOHUEV-UHFFFAOYSA-N 2 2 298.431 -0.003 20 0 CBADLP CCC[N@@H+](CC(=O)NC1CC[NH+](C)CC1)CC(=O)N(C)C ZINC000877987027 584189779 /nfs/dbraw/zinc/18/97/79/584189779.db2.gz XNNDBJURLOHUEV-UHFFFAOYSA-N 2 2 298.431 -0.003 20 0 CBADLP Cn1nnnc1CC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000878136099 584193881 /nfs/dbraw/zinc/19/38/81/584193881.db2.gz WHYRXDJHOBOYPO-LBPRGKRZSA-N 2 2 280.376 -0.593 20 0 CBADLP Cn1nnnc1CC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000878136099 584193883 /nfs/dbraw/zinc/19/38/83/584193883.db2.gz WHYRXDJHOBOYPO-LBPRGKRZSA-N 2 2 280.376 -0.593 20 0 CBADLP C[C@H]1C[NH+]=C(N2CC[NH+](CCn3cnnn3)CC2)S1 ZINC000878263736 584198108 /nfs/dbraw/zinc/19/81/08/584198108.db2.gz SZWKCSCIYPINFH-JTQLQIEISA-N 2 2 281.389 -0.218 20 0 CBADLP C[NH+]1CCC(NC(=O)C[N@@H+]2CCN3C(=O)CC[C@H]3C2)CC1 ZINC000878331349 584200389 /nfs/dbraw/zinc/20/03/89/584200389.db2.gz SHCMOOOPHYDSMR-ZDUSSCGKSA-N 2 2 294.399 -0.497 20 0 CBADLP C[NH+]1CCC(NC(=O)C[N@H+]2CCN3C(=O)CC[C@H]3C2)CC1 ZINC000878331349 584200391 /nfs/dbraw/zinc/20/03/91/584200391.db2.gz SHCMOOOPHYDSMR-ZDUSSCGKSA-N 2 2 294.399 -0.497 20 0 CBADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC000878866546 584219321 /nfs/dbraw/zinc/21/93/21/584219321.db2.gz UXOKLGOQEXSZEJ-MFKMUULPSA-N 2 2 269.345 -0.820 20 0 CBADLP C[NH+](C)C[C@@]1(O)CCC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC000878866546 584219323 /nfs/dbraw/zinc/21/93/23/584219323.db2.gz UXOKLGOQEXSZEJ-MFKMUULPSA-N 2 2 269.345 -0.820 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC([C@@H](F)C(N)=O)CC1 ZINC000879043158 584225093 /nfs/dbraw/zinc/22/50/93/584225093.db2.gz FSZZMDVCWUQWTI-VXGBXAGGSA-N 2 2 275.368 -0.166 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC([C@@H](F)C(N)=O)CC1 ZINC000879043158 584225095 /nfs/dbraw/zinc/22/50/95/584225095.db2.gz FSZZMDVCWUQWTI-VXGBXAGGSA-N 2 2 275.368 -0.166 20 0 CBADLP C[N@H+](CC[C@H]1CCOC1=O)CC(=O)N1CC[NH+](C)CC1 ZINC000879353932 584232877 /nfs/dbraw/zinc/23/28/77/584232877.db2.gz ASLYLBOZYDRLMP-LBPRGKRZSA-N 2 2 283.372 -0.355 20 0 CBADLP C[N@@H+](CC[C@H]1CCOC1=O)CC(=O)N1CC[NH+](C)CC1 ZINC000879353932 584232880 /nfs/dbraw/zinc/23/28/80/584232880.db2.gz ASLYLBOZYDRLMP-LBPRGKRZSA-N 2 2 283.372 -0.355 20 0 CBADLP COC(CC[N@H+](C)CC(=O)N1CC[NH+](C)CC1)OC ZINC000879356076 584233314 /nfs/dbraw/zinc/23/33/14/584233314.db2.gz YIIZJHSSPWASCN-UHFFFAOYSA-N 2 2 273.377 -0.299 20 0 CBADLP COC(CC[N@@H+](C)CC(=O)N1CC[NH+](C)CC1)OC ZINC000879356076 584233315 /nfs/dbraw/zinc/23/33/15/584233315.db2.gz YIIZJHSSPWASCN-UHFFFAOYSA-N 2 2 273.377 -0.299 20 0 CBADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H](O)CC(C)(C)O ZINC000879356370 584233371 /nfs/dbraw/zinc/23/33/71/584233371.db2.gz JFFPJLIPVQHSFU-GFCCVEGCSA-N 2 2 287.404 -0.786 20 0 CBADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H](O)CC(C)(C)O ZINC000879356370 584233372 /nfs/dbraw/zinc/23/33/72/584233372.db2.gz JFFPJLIPVQHSFU-GFCCVEGCSA-N 2 2 287.404 -0.786 20 0 CBADLP COC(=O)CCNC(=O)C[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879567047 584240651 /nfs/dbraw/zinc/24/06/51/584240651.db2.gz LKLLEGXSBAWDLX-VXGBXAGGSA-N 2 2 283.372 -0.308 20 0 CBADLP COC(=O)CCNC(=O)C[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879567047 584240653 /nfs/dbraw/zinc/24/06/53/584240653.db2.gz LKLLEGXSBAWDLX-VXGBXAGGSA-N 2 2 283.372 -0.308 20 0 CBADLP COC(=O)CCNC(=O)C[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879567047 584240655 /nfs/dbraw/zinc/24/06/55/584240655.db2.gz LKLLEGXSBAWDLX-VXGBXAGGSA-N 2 2 283.372 -0.308 20 0 CBADLP COC(=O)CCNC(=O)C[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879567047 584240657 /nfs/dbraw/zinc/24/06/57/584240657.db2.gz LKLLEGXSBAWDLX-VXGBXAGGSA-N 2 2 283.372 -0.308 20 0 CBADLP C[N@@H+]1CC[C@H]2C[NH+](CC(=O)N3CCNC3=O)CC[C@@H]21 ZINC000879570355 584240887 /nfs/dbraw/zinc/24/08/87/584240887.db2.gz YPPPXKVFUQRKSL-QWRGUYRKSA-N 2 2 266.345 -0.436 20 0 CBADLP C[N@H+]1CC[C@H]2C[NH+](CC(=O)N3CCNC3=O)CC[C@@H]21 ZINC000879570355 584240889 /nfs/dbraw/zinc/24/08/89/584240889.db2.gz YPPPXKVFUQRKSL-QWRGUYRKSA-N 2 2 266.345 -0.436 20 0 CBADLP C[NH+]1CC[C@H]2C[N@H+](CC(=O)N3CCNC3=O)CC[C@@H]21 ZINC000879570355 584240890 /nfs/dbraw/zinc/24/08/90/584240890.db2.gz YPPPXKVFUQRKSL-QWRGUYRKSA-N 2 2 266.345 -0.436 20 0 CBADLP C[NH+]1CC[C@H]2C[N@@H+](CC(=O)N3CCNC3=O)CC[C@@H]21 ZINC000879570355 584240892 /nfs/dbraw/zinc/24/08/92/584240892.db2.gz YPPPXKVFUQRKSL-QWRGUYRKSA-N 2 2 266.345 -0.436 20 0 CBADLP C[N@@H+]1CC[C@H]2C[NH+](CC(=O)N3CCNC3=O)CC[C@H]21 ZINC000879570356 584240967 /nfs/dbraw/zinc/24/09/67/584240967.db2.gz YPPPXKVFUQRKSL-WDEREUQCSA-N 2 2 266.345 -0.436 20 0 CBADLP C[N@H+]1CC[C@H]2C[NH+](CC(=O)N3CCNC3=O)CC[C@H]21 ZINC000879570356 584240968 /nfs/dbraw/zinc/24/09/68/584240968.db2.gz YPPPXKVFUQRKSL-WDEREUQCSA-N 2 2 266.345 -0.436 20 0 CBADLP C[NH+]1CC[C@H]2C[N@H+](CC(=O)N3CCNC3=O)CC[C@H]21 ZINC000879570356 584240970 /nfs/dbraw/zinc/24/09/70/584240970.db2.gz YPPPXKVFUQRKSL-WDEREUQCSA-N 2 2 266.345 -0.436 20 0 CBADLP C[NH+]1CC[C@H]2C[N@@H+](CC(=O)N3CCNC3=O)CC[C@H]21 ZINC000879570356 584240972 /nfs/dbraw/zinc/24/09/72/584240972.db2.gz YPPPXKVFUQRKSL-WDEREUQCSA-N 2 2 266.345 -0.436 20 0 CBADLP C[N@@H+]1CC[C@H]2C[NH+](CCN3C(=O)CNC3=O)CC[C@H]21 ZINC000879571814 584241150 /nfs/dbraw/zinc/24/11/50/584241150.db2.gz CIRFYVZTXLTYOP-WDEREUQCSA-N 2 2 266.345 -0.436 20 0 CBADLP C[N@H+]1CC[C@H]2C[NH+](CCN3C(=O)CNC3=O)CC[C@H]21 ZINC000879571814 584241152 /nfs/dbraw/zinc/24/11/52/584241152.db2.gz CIRFYVZTXLTYOP-WDEREUQCSA-N 2 2 266.345 -0.436 20 0 CBADLP C[NH+]1CC[C@H]2C[N@H+](CCN3C(=O)CNC3=O)CC[C@H]21 ZINC000879571814 584241154 /nfs/dbraw/zinc/24/11/54/584241154.db2.gz CIRFYVZTXLTYOP-WDEREUQCSA-N 2 2 266.345 -0.436 20 0 CBADLP C[NH+]1CC[C@H]2C[N@@H+](CCN3C(=O)CNC3=O)CC[C@H]21 ZINC000879571814 584241156 /nfs/dbraw/zinc/24/11/56/584241156.db2.gz CIRFYVZTXLTYOP-WDEREUQCSA-N 2 2 266.345 -0.436 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879572803 584241350 /nfs/dbraw/zinc/24/13/50/584241350.db2.gz RPGZBOLHLNPJTA-UTLUCORTSA-N 2 2 254.334 -0.404 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879572803 584241352 /nfs/dbraw/zinc/24/13/52/584241352.db2.gz RPGZBOLHLNPJTA-UTLUCORTSA-N 2 2 254.334 -0.404 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879572803 584241354 /nfs/dbraw/zinc/24/13/54/584241354.db2.gz RPGZBOLHLNPJTA-UTLUCORTSA-N 2 2 254.334 -0.404 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879572803 584241357 /nfs/dbraw/zinc/24/13/57/584241357.db2.gz RPGZBOLHLNPJTA-UTLUCORTSA-N 2 2 254.334 -0.404 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(C(=O)NOC)CC1 ZINC000879925610 584254146 /nfs/dbraw/zinc/25/41/46/584254146.db2.gz FKIVETVJKMVJMS-LBPRGKRZSA-N 2 2 273.377 -0.311 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(C(=O)NOC)CC1 ZINC000879925610 584254147 /nfs/dbraw/zinc/25/41/47/584254147.db2.gz FKIVETVJKMVJMS-LBPRGKRZSA-N 2 2 273.377 -0.311 20 0 CBADLP C[N@@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCC(=O)NC(N)=O ZINC000880130649 584263370 /nfs/dbraw/zinc/26/33/70/584263370.db2.gz HBWXXMWQVQCHSI-UWVGGRQHSA-N 2 2 254.334 -0.260 20 0 CBADLP C[N@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCC(=O)NC(N)=O ZINC000880130649 584263372 /nfs/dbraw/zinc/26/33/72/584263372.db2.gz HBWXXMWQVQCHSI-UWVGGRQHSA-N 2 2 254.334 -0.260 20 0 CBADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@@H+]2CCC(=O)NC(N)=O ZINC000880130649 584263374 /nfs/dbraw/zinc/26/33/74/584263374.db2.gz HBWXXMWQVQCHSI-UWVGGRQHSA-N 2 2 254.334 -0.260 20 0 CBADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@H+]2CCC(=O)NC(N)=O ZINC000880130649 584263375 /nfs/dbraw/zinc/26/33/75/584263375.db2.gz HBWXXMWQVQCHSI-UWVGGRQHSA-N 2 2 254.334 -0.260 20 0 CBADLP COC(=O)CNC(=O)CC[N@@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000880135122 584263907 /nfs/dbraw/zinc/26/39/07/584263907.db2.gz ZVLQIDZQVPARLI-RYUDHWBXSA-N 2 2 283.372 -0.166 20 0 CBADLP COC(=O)CNC(=O)CC[N@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000880135122 584263909 /nfs/dbraw/zinc/26/39/09/584263909.db2.gz ZVLQIDZQVPARLI-RYUDHWBXSA-N 2 2 283.372 -0.166 20 0 CBADLP COC(=O)CNC(=O)CC[NH+]1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000880135122 584263910 /nfs/dbraw/zinc/26/39/10/584263910.db2.gz ZVLQIDZQVPARLI-RYUDHWBXSA-N 2 2 283.372 -0.166 20 0 CBADLP COC(=O)CNC(=O)CC[NH+]1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000880135122 584263912 /nfs/dbraw/zinc/26/39/12/584263912.db2.gz ZVLQIDZQVPARLI-RYUDHWBXSA-N 2 2 283.372 -0.166 20 0 CBADLP COC[C@H](O)C[NH+]1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000880250953 584267809 /nfs/dbraw/zinc/26/78/09/584267809.db2.gz XUFZIWJZNHKDDE-CYBMUJFWSA-N 2 2 299.415 -0.201 20 0 CBADLP Cn1c[nH+]cc1CCC[N@@H+]1CCC(=O)NCC12COC2 ZINC000880402490 584272329 /nfs/dbraw/zinc/27/23/29/584272329.db2.gz YNUVDGCMKFEVHA-UHFFFAOYSA-N 2 2 278.356 -0.056 20 0 CBADLP Cn1c[nH+]cc1CCC[N@H+]1CCC(=O)NCC12COC2 ZINC000880402490 584272330 /nfs/dbraw/zinc/27/23/30/584272330.db2.gz YNUVDGCMKFEVHA-UHFFFAOYSA-N 2 2 278.356 -0.056 20 0 CBADLP COC(=O)[C@]1(O)CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000880559201 584279097 /nfs/dbraw/zinc/27/90/97/584279097.db2.gz BOBXYVRLOOWPDA-AAEUAGOBSA-N 2 2 272.345 -0.947 20 0 CBADLP COC(=O)[C@]1(O)CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000880559201 584279099 /nfs/dbraw/zinc/27/90/99/584279099.db2.gz BOBXYVRLOOWPDA-AAEUAGOBSA-N 2 2 272.345 -0.947 20 0 CBADLP COC(=O)[C@@]1(O)CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000880564542 584280786 /nfs/dbraw/zinc/28/07/86/584280786.db2.gz AWIGNUOULBJWHE-DGCLKSJQSA-N 2 2 274.361 -0.703 20 0 CBADLP COC(=O)[C@@]1(O)CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000880564542 584280788 /nfs/dbraw/zinc/28/07/88/584280788.db2.gz AWIGNUOULBJWHE-DGCLKSJQSA-N 2 2 274.361 -0.703 20 0 CBADLP COC(=O)[C@@]1(O)CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C1 ZINC000880564542 584280789 /nfs/dbraw/zinc/28/07/89/584280789.db2.gz AWIGNUOULBJWHE-DGCLKSJQSA-N 2 2 274.361 -0.703 20 0 CBADLP COC(=O)[C@@]1(O)CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000880564542 584280791 /nfs/dbraw/zinc/28/07/91/584280791.db2.gz AWIGNUOULBJWHE-DGCLKSJQSA-N 2 2 274.361 -0.703 20 0 CBADLP COC(=O)[C@@]1(O)CC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000880564544 584280883 /nfs/dbraw/zinc/28/08/83/584280883.db2.gz AWIGNUOULBJWHE-WCQYABFASA-N 2 2 274.361 -0.703 20 0 CBADLP COC(=O)[C@@]1(O)CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000880564544 584280884 /nfs/dbraw/zinc/28/08/84/584280884.db2.gz AWIGNUOULBJWHE-WCQYABFASA-N 2 2 274.361 -0.703 20 0 CBADLP COC(=O)[C@@]1(O)CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C1 ZINC000880564544 584280885 /nfs/dbraw/zinc/28/08/85/584280885.db2.gz AWIGNUOULBJWHE-WCQYABFASA-N 2 2 274.361 -0.703 20 0 CBADLP COC(=O)[C@@]1(O)CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000880564544 584280886 /nfs/dbraw/zinc/28/08/86/584280886.db2.gz AWIGNUOULBJWHE-WCQYABFASA-N 2 2 274.361 -0.703 20 0 CBADLP COC(=O)[C@]1(O)CC[N@H+](CCn2cc[nH+]c2C)C1 ZINC000880565753 584281455 /nfs/dbraw/zinc/28/14/55/584281455.db2.gz HKXWTTJLDFDFBZ-LBPRGKRZSA-N 2 2 253.302 -0.199 20 0 CBADLP COC(=O)[C@]1(O)CC[N@@H+](CCn2cc[nH+]c2C)C1 ZINC000880565753 584281460 /nfs/dbraw/zinc/28/14/60/584281460.db2.gz HKXWTTJLDFDFBZ-LBPRGKRZSA-N 2 2 253.302 -0.199 20 0 CBADLP COC(=O)[C@]1(O)CC[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000880567711 584282624 /nfs/dbraw/zinc/28/26/24/584282624.db2.gz MRIUFWKYSYJCSA-ZDUSSCGKSA-N 2 2 267.329 -0.038 20 0 CBADLP COC(=O)[C@]1(O)CC[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000880567711 584282625 /nfs/dbraw/zinc/28/26/25/584282625.db2.gz MRIUFWKYSYJCSA-ZDUSSCGKSA-N 2 2 267.329 -0.038 20 0 CBADLP CC[N@@H+]1CC[C@H]1CNC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000882485734 584318771 /nfs/dbraw/zinc/31/87/71/584318771.db2.gz LNGLAYJLNNEXEJ-STQMWFEESA-N 2 2 268.405 -0.167 20 0 CBADLP CC[N@H+]1CC[C@H]1CNC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000882485734 584318773 /nfs/dbraw/zinc/31/87/73/584318773.db2.gz LNGLAYJLNNEXEJ-STQMWFEESA-N 2 2 268.405 -0.167 20 0 CBADLP COC[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)[C@@H]1CCCOC1 ZINC000883180315 584338820 /nfs/dbraw/zinc/33/88/20/584338820.db2.gz ABGDDWNNSCJTPC-ZIAGYGMSSA-N 2 2 299.415 -0.208 20 0 CBADLP CC[N@@H+]1CC[C@H]1CNC(=O)NC[C@@H]1CN(C)CC[NH+]1C ZINC000883385212 584340893 /nfs/dbraw/zinc/34/08/93/584340893.db2.gz HKVGQAHLHJASKJ-QWHCGFSZSA-N 2 2 283.420 -0.374 20 0 CBADLP CC[N@H+]1CC[C@H]1CNC(=O)NC[C@@H]1CN(C)CC[NH+]1C ZINC000883385212 584340895 /nfs/dbraw/zinc/34/08/95/584340895.db2.gz HKVGQAHLHJASKJ-QWHCGFSZSA-N 2 2 283.420 -0.374 20 0 CBADLP CC[NH+]1CC[C@H]1CNC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000883385212 584340898 /nfs/dbraw/zinc/34/08/98/584340898.db2.gz HKVGQAHLHJASKJ-QWHCGFSZSA-N 2 2 283.420 -0.374 20 0 CBADLP CC[NH+]1CC[C@H]1CNC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000883385212 584340901 /nfs/dbraw/zinc/34/09/01/584340901.db2.gz HKVGQAHLHJASKJ-QWHCGFSZSA-N 2 2 283.420 -0.374 20 0 CBADLP O=C(C[NH+]1CCN(C[C@@H]2C[C@H](F)C[NH2+]2)CC1)N1CCCC1 ZINC000883422235 584341480 /nfs/dbraw/zinc/34/14/80/584341480.db2.gz IMAHXOHNIWPIPP-KBPBESRZSA-N 2 2 298.406 -0.074 20 0 CBADLP [NH3+]CC[N@H+](CCCOC(F)(F)F)C[C@H](O)CO ZINC000883435203 584342356 /nfs/dbraw/zinc/34/23/56/584342356.db2.gz MOUCJSBNDQOEHQ-QMMMGPOBSA-N 2 2 260.256 -0.473 20 0 CBADLP [NH3+]CC[N@@H+](CCCOC(F)(F)F)C[C@H](O)CO ZINC000883435203 584342357 /nfs/dbraw/zinc/34/23/57/584342357.db2.gz MOUCJSBNDQOEHQ-QMMMGPOBSA-N 2 2 260.256 -0.473 20 0 CBADLP O=C1NCC[C@@H]2CCC[N@H+](C[C@H]3C[NH2+]CCO3)[C@@H]12 ZINC000883462412 584343119 /nfs/dbraw/zinc/34/31/19/584343119.db2.gz QRAXSDZILHOEPK-QJPTWQEYSA-N 2 2 253.346 -0.425 20 0 CBADLP O=C1NCC[C@@H]2CCC[N@@H+](C[C@H]3C[NH2+]CCO3)[C@@H]12 ZINC000883462412 584343120 /nfs/dbraw/zinc/34/31/20/584343120.db2.gz QRAXSDZILHOEPK-QJPTWQEYSA-N 2 2 253.346 -0.425 20 0 CBADLP CC[N@@H+]1CC[C@H]1CNC(=O)NC[C@H]1COCC[NH+]1C ZINC000883742384 584347959 /nfs/dbraw/zinc/34/79/59/584347959.db2.gz DCLBLPYDYHLBPP-RYUDHWBXSA-N 2 2 270.377 -0.290 20 0 CBADLP CC[N@H+]1CC[C@H]1CNC(=O)NC[C@H]1COCC[NH+]1C ZINC000883742384 584347961 /nfs/dbraw/zinc/34/79/61/584347961.db2.gz DCLBLPYDYHLBPP-RYUDHWBXSA-N 2 2 270.377 -0.290 20 0 CBADLP CC[NH+]1CC[C@H]1CNC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000883742384 584347963 /nfs/dbraw/zinc/34/79/63/584347963.db2.gz DCLBLPYDYHLBPP-RYUDHWBXSA-N 2 2 270.377 -0.290 20 0 CBADLP CC[NH+]1CC[C@H]1CNC(=O)NC[C@H]1COCC[N@H+]1C ZINC000883742384 584347964 /nfs/dbraw/zinc/34/79/64/584347964.db2.gz DCLBLPYDYHLBPP-RYUDHWBXSA-N 2 2 270.377 -0.290 20 0 CBADLP C[N@@H+]1CCN(C(=O)COCc2ccccn2)[C@H](C[NH3+])C1 ZINC000884042142 584357187 /nfs/dbraw/zinc/35/71/87/584357187.db2.gz RIOYHISMSKYLGM-CYBMUJFWSA-N 2 2 278.356 -0.301 20 0 CBADLP C[N@H+]1CCN(C(=O)COCc2ccccn2)[C@H](C[NH3+])C1 ZINC000884042142 584357188 /nfs/dbraw/zinc/35/71/88/584357188.db2.gz RIOYHISMSKYLGM-CYBMUJFWSA-N 2 2 278.356 -0.301 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)[C@H]([NH3+])CC1CC1 ZINC000884309002 584373457 /nfs/dbraw/zinc/37/34/57/584373457.db2.gz JFHCTIHBGHQERW-GFCCVEGCSA-N 2 2 255.362 -0.096 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)c2ncoc2C[NH3+])[C@@H](C)CO1 ZINC000884401510 584379176 /nfs/dbraw/zinc/37/91/76/584379176.db2.gz SBIIKSDBJUEBLD-VHSXEESVSA-N 2 2 282.344 -0.028 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)c2ncoc2C[NH3+])[C@@H](C)CO1 ZINC000884401510 584379179 /nfs/dbraw/zinc/37/91/79/584379179.db2.gz SBIIKSDBJUEBLD-VHSXEESVSA-N 2 2 282.344 -0.028 20 0 CBADLP COCC[C@H]([NH3+])C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000884463227 584383001 /nfs/dbraw/zinc/38/30/01/584383001.db2.gz AHBIVWCETFJNEB-LBPRGKRZSA-N 3 2 293.371 -0.207 20 0 CBADLP Cn1cc[nH+]c1CNC(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000884629426 584391942 /nfs/dbraw/zinc/39/19/42/584391942.db2.gz MMWCXOPCKZFYQJ-QWRGUYRKSA-N 2 2 291.355 -0.611 20 0 CBADLP Cn1cc[nH+]c1CNC(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000884630103 584392173 /nfs/dbraw/zinc/39/21/73/584392173.db2.gz ZDUDXTZTAGZRTB-IINYFYTJSA-N 2 2 291.355 -0.896 20 0 CBADLP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)C(=O)NCC[NH3+] ZINC000884672953 584394078 /nfs/dbraw/zinc/39/40/78/584394078.db2.gz IHGXJJDIQHFHSC-LBPRGKRZSA-N 2 2 276.340 -0.636 20 0 CBADLP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)C(=O)NCC[NH3+] ZINC000884672953 584394079 /nfs/dbraw/zinc/39/40/79/584394079.db2.gz IHGXJJDIQHFHSC-LBPRGKRZSA-N 2 2 276.340 -0.636 20 0 CBADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000884694156 584398176 /nfs/dbraw/zinc/39/81/76/584398176.db2.gz CRTYTQMZFHCKBZ-SNVBAGLBSA-N 2 2 279.344 -0.374 20 0 CBADLP C[N@@H+]1CCN(C(=O)C(=O)NCC(F)(F)C[NH3+])CC1(C)C ZINC000884722515 584400639 /nfs/dbraw/zinc/40/06/39/584400639.db2.gz ZDAIHBILIGFYCA-UHFFFAOYSA-N 2 2 292.330 -0.751 20 0 CBADLP C[N@H+]1CCN(C(=O)C(=O)NCC(F)(F)C[NH3+])CC1(C)C ZINC000884722515 584400641 /nfs/dbraw/zinc/40/06/41/584400641.db2.gz ZDAIHBILIGFYCA-UHFFFAOYSA-N 2 2 292.330 -0.751 20 0 CBADLP C[N@H+](CCO)CCNc1nc(N2CCOCC2)cc[nH+]1 ZINC000884824755 584403903 /nfs/dbraw/zinc/40/39/03/584403903.db2.gz MGJBSYCBAGZMTP-UHFFFAOYSA-N 2 2 281.360 -0.351 20 0 CBADLP C[N@@H+](CCO)CCNc1nc(N2CCOCC2)cc[nH+]1 ZINC000884824755 584403905 /nfs/dbraw/zinc/40/39/05/584403905.db2.gz MGJBSYCBAGZMTP-UHFFFAOYSA-N 2 2 281.360 -0.351 20 0 CBADLP COC(=O)[C@@H]1CC[C@H]([NH2+]CC[N@@H+]2CC[C@@H](O)C2)C1 ZINC000886643108 584444210 /nfs/dbraw/zinc/44/42/10/584444210.db2.gz LIBIWLMQMPJBNY-GRYCIOLGSA-N 2 2 256.346 -0.016 20 0 CBADLP COC(=O)[C@@H]1CC[C@H]([NH2+]CC[N@H+]2CC[C@@H](O)C2)C1 ZINC000886643108 584444212 /nfs/dbraw/zinc/44/42/12/584444212.db2.gz LIBIWLMQMPJBNY-GRYCIOLGSA-N 2 2 256.346 -0.016 20 0 CBADLP O=C(C[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1)N1CCNC(=O)C1 ZINC000886868165 584450094 /nfs/dbraw/zinc/45/00/94/584450094.db2.gz WXKASLMVTSGVGS-OAHLLOKOSA-N 2 2 294.399 -0.590 20 0 CBADLP O=C(C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1)N1CCNC(=O)C1 ZINC000886868165 584450096 /nfs/dbraw/zinc/45/00/96/584450096.db2.gz WXKASLMVTSGVGS-OAHLLOKOSA-N 2 2 294.399 -0.590 20 0 CBADLP CCN(C(=O)C(=O)N1CC[NH+](C2CC2)CC1)[C@H]1CC[NH2+]C1 ZINC000887066649 584460965 /nfs/dbraw/zinc/46/09/65/584460965.db2.gz QKTNULYAVNGQBV-ZDUSSCGKSA-N 2 2 294.399 -0.497 20 0 CBADLP Nc1cc[nH+]c(CNC(=O)NCC[NH+]2CCOCC2)c1 ZINC000887278717 584465793 /nfs/dbraw/zinc/46/57/93/584465793.db2.gz LMXQLSKJIKUBEL-UHFFFAOYSA-N 2 2 279.344 -0.205 20 0 CBADLP [NH3+][C@@H]1CCCN(Cc2cn(CC[NH+]3CCOCC3)nn2)C1 ZINC000887442693 584467775 /nfs/dbraw/zinc/46/77/75/584467775.db2.gz PABVTPGPDXLGKX-CYBMUJFWSA-N 2 2 294.403 -0.467 20 0 CBADLP CN1CCN(C(=O)[C@]2(C)C[C@H](O)C[NH+]2C)CC[N@H+](C)CC1 ZINC000888979454 584510517 /nfs/dbraw/zinc/51/05/17/584510517.db2.gz TZUVELWGWBYFFJ-ZFWWWQNUSA-N 2 2 298.431 -0.853 20 0 CBADLP CN1CCN(C(=O)[C@]2(C)C[C@H](O)C[NH+]2C)CC[N@@H+](C)CC1 ZINC000888979454 584510519 /nfs/dbraw/zinc/51/05/19/584510519.db2.gz TZUVELWGWBYFFJ-ZFWWWQNUSA-N 2 2 298.431 -0.853 20 0 CBADLP CN1CCN(C(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)CC[NH+](C)CC1 ZINC000888979454 584510521 /nfs/dbraw/zinc/51/05/21/584510521.db2.gz TZUVELWGWBYFFJ-ZFWWWQNUSA-N 2 2 298.431 -0.853 20 0 CBADLP CN1CCN(C(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)CC[NH+](C)CC1 ZINC000888979454 584510522 /nfs/dbraw/zinc/51/05/22/584510522.db2.gz TZUVELWGWBYFFJ-ZFWWWQNUSA-N 2 2 298.431 -0.853 20 0 CBADLP Cn1c[nH+]c(CNC(=O)C[C@@]2(O)CCC[N@H+](C)C2)c1 ZINC000890102841 584543411 /nfs/dbraw/zinc/54/34/11/584543411.db2.gz BAJCMOAMVORRFZ-ZDUSSCGKSA-N 2 2 266.345 -0.117 20 0 CBADLP Cn1c[nH+]c(CNC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)c1 ZINC000890102841 584543412 /nfs/dbraw/zinc/54/34/12/584543412.db2.gz BAJCMOAMVORRFZ-ZDUSSCGKSA-N 2 2 266.345 -0.117 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000891349557 584579614 /nfs/dbraw/zinc/57/96/14/584579614.db2.gz IYAMZOHEPQLTED-KCQAQPDRSA-N 2 2 296.415 -0.042 20 0 CBADLP CC[C@H](CO)Nc1cc(N2CC[NH+](CCO)CC2)nc[nH+]1 ZINC000891433026 584581542 /nfs/dbraw/zinc/58/15/42/584581542.db2.gz AGQWUPZRVLQROH-GFCCVEGCSA-N 2 2 295.387 -0.226 20 0 CBADLP C[C@@H]1CC[N@H+](CCNC(=O)NCC[NH+]2CCOCC2)C1 ZINC000891449623 584581854 /nfs/dbraw/zinc/58/18/54/584581854.db2.gz ZQQYURBSFZQBNI-CYBMUJFWSA-N 2 2 284.404 -0.040 20 0 CBADLP C[C@@H]1CC[N@@H+](CCNC(=O)NCC[NH+]2CCOCC2)C1 ZINC000891449623 584581855 /nfs/dbraw/zinc/58/18/55/584581855.db2.gz ZQQYURBSFZQBNI-CYBMUJFWSA-N 2 2 284.404 -0.040 20 0 CBADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCC[C@@H]1C[NH3+] ZINC000891529626 584584350 /nfs/dbraw/zinc/58/43/50/584584350.db2.gz XBQLCAIVZOTBFN-QWHCGFSZSA-N 2 2 283.420 -0.245 20 0 CBADLP CN1CC[N@H+](C)[C@H](CNC(=O)N[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000891539464 584584630 /nfs/dbraw/zinc/58/46/30/584584630.db2.gz BBCJKILVYSKGBY-RWMBFGLXSA-N 2 2 283.420 -0.199 20 0 CBADLP CN1CC[N@@H+](C)[C@H](CNC(=O)N[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000891539464 584584633 /nfs/dbraw/zinc/58/46/33/584584633.db2.gz BBCJKILVYSKGBY-RWMBFGLXSA-N 2 2 283.420 -0.199 20 0 CBADLP CN1CC[N@H+](C)[C@H](CNC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000891539463 584584645 /nfs/dbraw/zinc/58/46/45/584584645.db2.gz BBCJKILVYSKGBY-JHJVBQTASA-N 2 2 283.420 -0.199 20 0 CBADLP CN1CC[N@@H+](C)[C@H](CNC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000891539463 584584647 /nfs/dbraw/zinc/58/46/47/584584647.db2.gz BBCJKILVYSKGBY-JHJVBQTASA-N 2 2 283.420 -0.199 20 0 CBADLP CN1CC[N@H+](C)[C@H](CNC(=O)N[C@@]23CCC[C@H]2[NH2+]CC3)C1 ZINC000891539445 584584700 /nfs/dbraw/zinc/58/47/00/584584700.db2.gz ARPQQDPCBZYARR-UMVBOHGHSA-N 2 2 295.431 -0.184 20 0 CBADLP CN1CC[N@@H+](C)[C@H](CNC(=O)N[C@@]23CCC[C@H]2[NH2+]CC3)C1 ZINC000891539445 584584702 /nfs/dbraw/zinc/58/47/02/584584702.db2.gz ARPQQDPCBZYARR-UMVBOHGHSA-N 2 2 295.431 -0.184 20 0 CBADLP CN(C)C(=O)C[NH+]1CCN(c2nccn3c[nH+]cc23)CC1 ZINC000891551704 584585386 /nfs/dbraw/zinc/58/53/86/584585386.db2.gz JBVLMPKWWPEDMK-UHFFFAOYSA-N 2 2 288.355 -0.061 20 0 CBADLP CCc1cc(N2CC[NH2+][C@@H](C(N)=O)C2)nc(CC)[nH+]1 ZINC000891648509 584588686 /nfs/dbraw/zinc/58/86/86/584588686.db2.gz PTAQSVLWHBVIRX-SNVBAGLBSA-N 2 2 263.345 -0.135 20 0 CBADLP O=C(NCC1([NH+]2CCOCC2)CC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891858825 584593263 /nfs/dbraw/zinc/59/32/63/584593263.db2.gz WIYJJDIUNUKTGP-RYUDHWBXSA-N 2 2 280.372 -0.393 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000892286997 584612511 /nfs/dbraw/zinc/61/25/11/584612511.db2.gz FPYABZJXTZHWIT-DCAQKATOSA-N 2 2 254.334 -0.927 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000892286997 584612513 /nfs/dbraw/zinc/61/25/13/584612513.db2.gz FPYABZJXTZHWIT-DCAQKATOSA-N 2 2 254.334 -0.927 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892287581 584612565 /nfs/dbraw/zinc/61/25/65/584612565.db2.gz PWGVXSGZKQLIKX-GMTAPVOTSA-N 2 2 256.350 -0.647 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892287581 584612568 /nfs/dbraw/zinc/61/25/68/584612568.db2.gz PWGVXSGZKQLIKX-GMTAPVOTSA-N 2 2 256.350 -0.647 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)NCc1cc(N)cc[nH+]1 ZINC000892287781 584612843 /nfs/dbraw/zinc/61/28/43/584612843.db2.gz VONXGANUFLTLCP-GFCCVEGCSA-N 2 2 279.344 -0.206 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)NCc1cc(N)cc[nH+]1 ZINC000892287781 584612845 /nfs/dbraw/zinc/61/28/45/584612845.db2.gz VONXGANUFLTLCP-GFCCVEGCSA-N 2 2 279.344 -0.206 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)NCc1cc(N)cc[nH+]1 ZINC000892287782 584612898 /nfs/dbraw/zinc/61/28/98/584612898.db2.gz VONXGANUFLTLCP-LBPRGKRZSA-N 2 2 279.344 -0.206 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)NCc1cc(N)cc[nH+]1 ZINC000892287782 584612901 /nfs/dbraw/zinc/61/29/01/584612901.db2.gz VONXGANUFLTLCP-LBPRGKRZSA-N 2 2 279.344 -0.206 20 0 CBADLP C[C@@H]1C[C@H](NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])[C@@H](C)O1 ZINC000892425500 584616728 /nfs/dbraw/zinc/61/67/28/584616728.db2.gz OGKIPSQATKPENQ-KKOKHZNYSA-N 2 2 270.377 -0.163 20 0 CBADLP C[C@@H]1C[C@H](NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])[C@@H](C)O1 ZINC000892425500 584616729 /nfs/dbraw/zinc/61/67/29/584616729.db2.gz OGKIPSQATKPENQ-KKOKHZNYSA-N 2 2 270.377 -0.163 20 0 CBADLP C[N@@H+]1CCN(C(=O)NCCC[C@@H]2CCOC2=O)[C@@H](C[NH3+])C1 ZINC000892707558 584623422 /nfs/dbraw/zinc/62/34/22/584623422.db2.gz HBEGDGZBCVKCMR-NEPJUHHUSA-N 2 2 298.387 -0.386 20 0 CBADLP C[N@H+]1CCN(C(=O)NCCC[C@@H]2CCOC2=O)[C@@H](C[NH3+])C1 ZINC000892707558 584623424 /nfs/dbraw/zinc/62/34/24/584623424.db2.gz HBEGDGZBCVKCMR-NEPJUHHUSA-N 2 2 298.387 -0.386 20 0 CBADLP CCn1cc(C[NH2+]CCC(=O)N2CC[NH+](C)CC2)nn1 ZINC000892926579 584629734 /nfs/dbraw/zinc/62/97/34/584629734.db2.gz LAHYREFBXDIBGS-UHFFFAOYSA-N 2 2 280.376 -0.448 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CC[C@@H]3CO)C2)CC1 ZINC000893020650 584632717 /nfs/dbraw/zinc/63/27/17/584632717.db2.gz AYHFSWAOMMJFCM-TZMCWYRMSA-N 2 2 296.415 -0.069 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CC[C@@H]3CO)C2)CC1 ZINC000893020650 584632719 /nfs/dbraw/zinc/63/27/19/584632719.db2.gz AYHFSWAOMMJFCM-TZMCWYRMSA-N 2 2 296.415 -0.069 20 0 CBADLP COC(=O)[C@@H]1[C@H](C[NH2+]C[C@@H]2C[N@H+](C)CCN2C)C1(F)F ZINC000894255773 584654536 /nfs/dbraw/zinc/65/45/36/584654536.db2.gz INZRNJJPLTVVOP-VWYCJHECSA-N 2 2 291.342 -0.124 20 0 CBADLP COC(=O)[C@@H]1[C@H](C[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)C1(F)F ZINC000894255773 584654537 /nfs/dbraw/zinc/65/45/37/584654537.db2.gz INZRNJJPLTVVOP-VWYCJHECSA-N 2 2 291.342 -0.124 20 0 CBADLP c1ncc(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)[nH]1 ZINC000894257070 584654556 /nfs/dbraw/zinc/65/45/56/584654556.db2.gz YPUDNPBUTWCCQX-CYBMUJFWSA-N 2 2 279.388 -0.094 20 0 CBADLP O=S(=O)(NCC[NH2+]Cc1c[nH+]c[nH]1)c1cccnc1 ZINC000894359482 584656197 /nfs/dbraw/zinc/65/61/97/584656197.db2.gz PNGUMKBIPCFXOB-UHFFFAOYSA-N 2 2 281.341 -0.127 20 0 CBADLP CN(C)c1cc(N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)nc[nH+]1 ZINC000894429744 584658018 /nfs/dbraw/zinc/65/80/18/584658018.db2.gz JTIZUDWWQCTBAE-WDEREUQCSA-N 2 2 263.345 -0.202 20 0 CBADLP CN(C)c1cc(N2CC[N@H+]3C[C@H](O)C[C@H]3C2)nc[nH+]1 ZINC000894429744 584658020 /nfs/dbraw/zinc/65/80/20/584658020.db2.gz JTIZUDWWQCTBAE-WDEREUQCSA-N 2 2 263.345 -0.202 20 0 CBADLP C[N@@H+]1C[C@@]2(C)CN(c3nc(N)nc(N)[nH+]3)C[C@@]2(C)C1 ZINC000894802631 584664534 /nfs/dbraw/zinc/66/45/34/584664534.db2.gz QYENHUGZECNHGC-TXEJJXNPSA-N 2 2 263.349 -0.186 20 0 CBADLP C[N@H+]1C[C@@]2(C)CN(c3nc(N)nc(N)[nH+]3)C[C@@]2(C)C1 ZINC000894802631 584664536 /nfs/dbraw/zinc/66/45/36/584664536.db2.gz QYENHUGZECNHGC-TXEJJXNPSA-N 2 2 263.349 -0.186 20 0 CBADLP Cc1nc(N(C)CC(=O)N2CC[NH+](C)CC2)cc[nH+]1 ZINC000894957799 584667689 /nfs/dbraw/zinc/66/76/89/584667689.db2.gz JWKDQIHOUNCTNN-UHFFFAOYSA-N 2 2 263.345 -0.005 20 0 CBADLP COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1c[nH+]c[nH]1 ZINC000895440797 584679135 /nfs/dbraw/zinc/67/91/35/584679135.db2.gz YTTZHGNIZJYXFL-YUMQZZPRSA-N 2 2 254.290 -0.435 20 0 CBADLP COC(=O)[C@]1(O)CC[N@H+](Cc2c[nH+]c(C)n2C)C1 ZINC000895703137 584685999 /nfs/dbraw/zinc/68/59/99/584685999.db2.gz YVNDESWFKHQJMQ-LBPRGKRZSA-N 2 2 253.302 -0.162 20 0 CBADLP COC(=O)[C@]1(O)CC[N@@H+](Cc2c[nH+]c(C)n2C)C1 ZINC000895703137 584686000 /nfs/dbraw/zinc/68/60/00/584686000.db2.gz YVNDESWFKHQJMQ-LBPRGKRZSA-N 2 2 253.302 -0.162 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC000896532796 584700995 /nfs/dbraw/zinc/70/09/95/584700995.db2.gz VQDMRULRZQOWNP-OLZOCXBDSA-N 2 2 279.388 -0.058 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC000896532796 584700998 /nfs/dbraw/zinc/70/09/98/584700998.db2.gz VQDMRULRZQOWNP-OLZOCXBDSA-N 2 2 279.388 -0.058 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896532796 584701001 /nfs/dbraw/zinc/70/10/01/584701001.db2.gz VQDMRULRZQOWNP-OLZOCXBDSA-N 2 2 279.388 -0.058 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC000896532796 584701003 /nfs/dbraw/zinc/70/10/03/584701003.db2.gz VQDMRULRZQOWNP-OLZOCXBDSA-N 2 2 279.388 -0.058 20 0 CBADLP C[C@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)[C@H]1C[NH+](C)CCN1C ZINC000896558113 584702044 /nfs/dbraw/zinc/70/20/44/584702044.db2.gz YBAOEIYJCJUTMM-XQQFMLRXSA-N 2 2 284.404 -0.933 20 0 CBADLP C[C@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)[C@H]1C[NH+](C)CCN1C ZINC000896558113 584702046 /nfs/dbraw/zinc/70/20/46/584702046.db2.gz YBAOEIYJCJUTMM-XQQFMLRXSA-N 2 2 284.404 -0.933 20 0 CBADLP C[C@H](NC(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1C[N@H+](C)CCN1C ZINC000896558113 584702047 /nfs/dbraw/zinc/70/20/47/584702047.db2.gz YBAOEIYJCJUTMM-XQQFMLRXSA-N 2 2 284.404 -0.933 20 0 CBADLP C[C@H](NC(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1C[N@@H+](C)CCN1C ZINC000896558113 584702048 /nfs/dbraw/zinc/70/20/48/584702048.db2.gz YBAOEIYJCJUTMM-XQQFMLRXSA-N 2 2 284.404 -0.933 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@H](C)[C@@H]2C[NH+](C)CCN2C)C1 ZINC000896554473 584702419 /nfs/dbraw/zinc/70/24/19/584702419.db2.gz GJPAJOVGSAAWFC-RDBSUJKOSA-N 2 2 298.431 -0.542 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)N[C@H](C)[C@@H]2C[NH+](C)CCN2C)C1 ZINC000896554473 584702421 /nfs/dbraw/zinc/70/24/21/584702421.db2.gz GJPAJOVGSAAWFC-RDBSUJKOSA-N 2 2 298.431 -0.542 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)C1 ZINC000896554473 584702423 /nfs/dbraw/zinc/70/24/23/584702423.db2.gz GJPAJOVGSAAWFC-RDBSUJKOSA-N 2 2 298.431 -0.542 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCN2C)C1 ZINC000896554473 584702425 /nfs/dbraw/zinc/70/24/25/584702425.db2.gz GJPAJOVGSAAWFC-RDBSUJKOSA-N 2 2 298.431 -0.542 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000897146302 584709109 /nfs/dbraw/zinc/70/91/09/584709109.db2.gz QBGZATKDBVOCQE-NWDGAFQWSA-N 2 2 252.362 -0.803 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000897146302 584709110 /nfs/dbraw/zinc/70/91/10/584709110.db2.gz QBGZATKDBVOCQE-NWDGAFQWSA-N 2 2 252.362 -0.803 20 0 CBADLP Cn1c[nH+]cc1CCNC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897364520 584714122 /nfs/dbraw/zinc/71/41/22/584714122.db2.gz BEMJYWOSCYDZHF-ZDUSSCGKSA-N 2 2 278.356 -0.201 20 0 CBADLP CC(C)[NH+]1CC(NC(=O)C2C[NH+]([C@@H]3CCOC3)C2)C1 ZINC000897493106 584717829 /nfs/dbraw/zinc/71/78/29/584717829.db2.gz REAZIWZHXFJEIY-CYBMUJFWSA-N 2 2 267.373 -0.084 20 0 CBADLP CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000897490178 584717897 /nfs/dbraw/zinc/71/78/97/584717897.db2.gz WECYTOBXMNWARH-NEPJUHHUSA-N 2 2 293.371 -0.402 20 0 CBADLP CC[N@H+]1CC[C@H]1CNC(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000897490178 584717899 /nfs/dbraw/zinc/71/78/99/584717899.db2.gz WECYTOBXMNWARH-NEPJUHHUSA-N 2 2 293.371 -0.402 20 0 CBADLP Cn1c[nH+]cc1CNC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000897791788 584724865 /nfs/dbraw/zinc/72/48/65/584724865.db2.gz WTGLWAAGIMZGCW-LLVKDONJSA-N 2 2 264.329 -0.243 20 0 CBADLP Cn1c[nH+]cc1[C@@H](CO)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000898885357 584744363 /nfs/dbraw/zinc/74/43/63/584744363.db2.gz XEHKULGMKUKEJK-ZJUUUORDSA-N 2 2 252.318 -0.336 20 0 CBADLP Cn1c[nH+]cc1[C@@H](CO)NC(=O)[C@@H]1CCC[N@H+]1C ZINC000898885357 584744364 /nfs/dbraw/zinc/74/43/64/584744364.db2.gz XEHKULGMKUKEJK-ZJUUUORDSA-N 2 2 252.318 -0.336 20 0 CBADLP C[NH+]1CCN(CC(=O)NCC(C)(C)n2cc[nH+]c2)CC1 ZINC000898902518 584744991 /nfs/dbraw/zinc/74/49/91/584744991.db2.gz PRKSVHUAMPHXMP-UHFFFAOYSA-N 2 2 279.388 -0.018 20 0 CBADLP C[C@H]1CN(C(=O)NCC[NH+]2CCOCC2)CC[C@H]1C[NH3+] ZINC000899241884 584754222 /nfs/dbraw/zinc/75/42/22/584754222.db2.gz MREFWNWCLBIHES-STQMWFEESA-N 2 2 284.404 -0.055 20 0 CBADLP CC1(C)C[NH2+]C[C@H]1NC(=O)NCC[NH+]1CCOCC1 ZINC000899248411 584754705 /nfs/dbraw/zinc/75/47/05/584754705.db2.gz PDKQMPZOUXRRNU-LLVKDONJSA-N 2 2 270.377 -0.384 20 0 CBADLP [NH3+]C[C@@]12CC[C@@H]1CCN2C(=O)NCC[NH+]1CCOCC1 ZINC000899247814 584754757 /nfs/dbraw/zinc/75/47/57/584754757.db2.gz KSAPFUUJKCPOFE-OCCSQVGLSA-N 2 2 282.388 -0.159 20 0 CBADLP C[N@H+](CCO)CCNC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC000899737680 584777805 /nfs/dbraw/zinc/77/78/05/584777805.db2.gz OGTRTBABRDFEFD-AWEZNQCLSA-N 2 2 299.415 -0.330 20 0 CBADLP C[N@@H+](CCO)CCNC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC000899737680 584777807 /nfs/dbraw/zinc/77/78/07/584777807.db2.gz OGTRTBABRDFEFD-AWEZNQCLSA-N 2 2 299.415 -0.330 20 0 CBADLP C[NH+](CCO)CCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000899737680 584777808 /nfs/dbraw/zinc/77/78/08/584777808.db2.gz OGTRTBABRDFEFD-AWEZNQCLSA-N 2 2 299.415 -0.330 20 0 CBADLP C[NH+](CCO)CCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000899737680 584777810 /nfs/dbraw/zinc/77/78/10/584777810.db2.gz OGTRTBABRDFEFD-AWEZNQCLSA-N 2 2 299.415 -0.330 20 0 CBADLP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCCn1cc[nH+]c1 ZINC000900193310 584795011 /nfs/dbraw/zinc/79/50/11/584795011.db2.gz GSWKGMAJYDDAMB-PWSUYJOCSA-N 2 2 252.318 -0.546 20 0 CBADLP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCCn1cc[nH+]c1 ZINC000900193310 584795013 /nfs/dbraw/zinc/79/50/13/584795013.db2.gz GSWKGMAJYDDAMB-PWSUYJOCSA-N 2 2 252.318 -0.546 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)C[C@]2(O)CCC[NH+](C)C2)CCO1 ZINC000900486160 584807458 /nfs/dbraw/zinc/80/74/58/584807458.db2.gz SSSYYTGQKIAQLF-UKRRQHHQSA-N 2 2 299.415 -0.330 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)C[C@]2(O)CCC[NH+](C)C2)CCO1 ZINC000900486160 584807459 /nfs/dbraw/zinc/80/74/59/584807459.db2.gz SSSYYTGQKIAQLF-UKRRQHHQSA-N 2 2 299.415 -0.330 20 0 CBADLP C[C@@H]1C[NH+](CCNC(=O)C[C@]2(O)CCC[N@H+](C)C2)CCO1 ZINC000900486160 584807460 /nfs/dbraw/zinc/80/74/60/584807460.db2.gz SSSYYTGQKIAQLF-UKRRQHHQSA-N 2 2 299.415 -0.330 20 0 CBADLP C[C@@H]1C[NH+](CCNC(=O)C[C@]2(O)CCC[N@@H+](C)C2)CCO1 ZINC000900486160 584807461 /nfs/dbraw/zinc/80/74/61/584807461.db2.gz SSSYYTGQKIAQLF-UKRRQHHQSA-N 2 2 299.415 -0.330 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000900519040 584809704 /nfs/dbraw/zinc/80/97/04/584809704.db2.gz SSGAFWHUYPLYFP-TZMCWYRMSA-N 2 2 285.388 -0.768 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC000900519040 584809705 /nfs/dbraw/zinc/80/97/05/584809705.db2.gz SSGAFWHUYPLYFP-TZMCWYRMSA-N 2 2 285.388 -0.768 20 0 CBADLP C[C@@H](O)C[NH+]1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000900603682 584815436 /nfs/dbraw/zinc/81/54/36/584815436.db2.gz PCGOYCIVYLLKMH-SNVBAGLBSA-N 2 2 252.318 -0.523 20 0 CBADLP C[N@@H+]1CCC[C@@](O)(CC(=O)NCc2[nH]cc[nH+]2)C1 ZINC000900664161 584819769 /nfs/dbraw/zinc/81/97/69/584819769.db2.gz AXEFWQRFRLTYKI-GFCCVEGCSA-N 2 2 252.318 -0.127 20 0 CBADLP C[N@H+]1CCC[C@@](O)(CC(=O)NCc2[nH]cc[nH+]2)C1 ZINC000900664161 584819771 /nfs/dbraw/zinc/81/97/71/584819771.db2.gz AXEFWQRFRLTYKI-GFCCVEGCSA-N 2 2 252.318 -0.127 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3C[C@@H]3C(N)=O)C2)CC1 ZINC000900676051 584820511 /nfs/dbraw/zinc/82/05/11/584820511.db2.gz ZVTRFBMRMAUXOP-WCFLWFBJSA-N 2 2 294.399 -0.608 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3C[C@@H]3C(N)=O)C2)CC1 ZINC000900676051 584820513 /nfs/dbraw/zinc/82/05/13/584820513.db2.gz ZVTRFBMRMAUXOP-WCFLWFBJSA-N 2 2 294.399 -0.608 20 0 CBADLP CN(C)c1[nH+]cc(CNC(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)n1C ZINC000900679839 584820910 /nfs/dbraw/zinc/82/09/10/584820910.db2.gz AANVJRWPTQUVFH-FZMZJTMJSA-N 2 2 295.387 -0.443 20 0 CBADLP CN(C)c1[nH+]cc(CNC(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)n1C ZINC000900679839 584820911 /nfs/dbraw/zinc/82/09/11/584820911.db2.gz AANVJRWPTQUVFH-FZMZJTMJSA-N 2 2 295.387 -0.443 20 0 CBADLP C[C@H](CNC(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C)C[NH+]1CCOCC1 ZINC000900783850 584826726 /nfs/dbraw/zinc/82/67/26/584826726.db2.gz OZVNTPIACUWTCM-IPYPFGDCSA-N 2 2 299.415 -0.474 20 0 CBADLP C[C@H](CNC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C)C[NH+]1CCOCC1 ZINC000900783850 584826727 /nfs/dbraw/zinc/82/67/27/584826727.db2.gz OZVNTPIACUWTCM-IPYPFGDCSA-N 2 2 299.415 -0.474 20 0 CBADLP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)[C@@H]1CN(C)CC[N@@H+]1C ZINC000900802287 584827740 /nfs/dbraw/zinc/82/77/40/584827740.db2.gz DOAILMUNZBDGRF-OLZOCXBDSA-N 2 2 280.416 -0.167 20 0 CBADLP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)[C@@H]1CN(C)CC[N@H+]1C ZINC000900802287 584827742 /nfs/dbraw/zinc/82/77/42/584827742.db2.gz DOAILMUNZBDGRF-OLZOCXBDSA-N 2 2 280.416 -0.167 20 0 CBADLP Cc1[nH+]c[nH]c1CNC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC000900918038 584832829 /nfs/dbraw/zinc/83/28/29/584832829.db2.gz FIKUNQNRWJDBPK-SKDRFNHKSA-N 2 2 252.318 -0.211 20 0 CBADLP Cc1[nH+]c[nH]c1CNC(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000900918038 584832830 /nfs/dbraw/zinc/83/28/30/584832830.db2.gz FIKUNQNRWJDBPK-SKDRFNHKSA-N 2 2 252.318 -0.211 20 0 CBADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCS(=O)(=O)N1CCCC1 ZINC000902450058 584877038 /nfs/dbraw/zinc/87/70/38/584877038.db2.gz CCSVIUCBXVXYAV-NEPJUHHUSA-N 2 2 275.418 0.000 20 0 CBADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCS(=O)(=O)N1CCCC1 ZINC000902450059 584877083 /nfs/dbraw/zinc/87/70/83/584877083.db2.gz CCSVIUCBXVXYAV-NWDGAFQWSA-N 2 2 275.418 0.000 20 0 CBADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCS(=O)(=O)N1CCCC1 ZINC000902450283 584877102 /nfs/dbraw/zinc/87/71/02/584877102.db2.gz CCSVIUCBXVXYAV-RYUDHWBXSA-N 2 2 275.418 0.000 20 0 CBADLP Cn1nnnc1CCC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000902462651 584877289 /nfs/dbraw/zinc/87/72/89/584877289.db2.gz WWYBCSZOURREJD-WCQYABFASA-N 2 2 280.376 -0.501 20 0 CBADLP CCOC(=O)[C@H]1[NH2+]CC[C@@H]1N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902468283 584877407 /nfs/dbraw/zinc/87/74/07/584877407.db2.gz UCSLDGOVWRPUIW-IIRVCBMXSA-N 2 2 253.346 -0.238 20 0 CBADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCO[C@@]12CCOC2 ZINC000903205243 584889505 /nfs/dbraw/zinc/88/95/05/584889505.db2.gz GJMKEDJEEBMLHO-GZBFAFLISA-N 2 2 297.399 -0.136 20 0 CBADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCO[C@@]12CCOC2 ZINC000903205243 584889506 /nfs/dbraw/zinc/88/95/06/584889506.db2.gz GJMKEDJEEBMLHO-GZBFAFLISA-N 2 2 297.399 -0.136 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@]1(CO)COCCN1C ZINC000903280377 584889845 /nfs/dbraw/zinc/88/98/45/584889845.db2.gz NABSRYOCCVIGTQ-UPJWGTAASA-N 2 2 257.378 -0.781 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@]1(CO)COCCN1C ZINC000903280377 584889847 /nfs/dbraw/zinc/88/98/47/584889847.db2.gz NABSRYOCCVIGTQ-UPJWGTAASA-N 2 2 257.378 -0.781 20 0 CBADLP COCCCNC(=O)C[N@H+](C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903429632 584890242 /nfs/dbraw/zinc/89/02/42/584890242.db2.gz JQKVJUIEIFOEHV-NEPJUHHUSA-N 2 2 257.378 -0.074 20 0 CBADLP COCCCNC(=O)C[N@@H+](C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903429632 584890243 /nfs/dbraw/zinc/89/02/43/584890243.db2.gz JQKVJUIEIFOEHV-NEPJUHHUSA-N 2 2 257.378 -0.074 20 0 CBADLP CCNC(=O)C[NH+]1CCN(C[C@H]2CCC[NH2+]2)CC1 ZINC000903442425 584890449 /nfs/dbraw/zinc/89/04/49/584890449.db2.gz PUQRIMRJGSOBIY-GFCCVEGCSA-N 2 2 254.378 -0.508 20 0 CBADLP O=C(C[NH+]1CCN(C[C@H]2CCC[NH2+]2)CC1)N1CCCC1 ZINC000903441310 584890476 /nfs/dbraw/zinc/89/04/76/584890476.db2.gz MZEFUCULMANTBZ-CQSZACIVSA-N 2 2 280.416 -0.022 20 0 CBADLP CNC(=O)NC[C@@H]1C[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)CCO1 ZINC000903464427 584890841 /nfs/dbraw/zinc/89/08/41/584890841.db2.gz MXUHIKQXSRBTBO-GRYCIOLGSA-N 2 2 270.377 -0.528 20 0 CBADLP CNC(=O)NC[C@@H]1C[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)CCO1 ZINC000903464427 584890842 /nfs/dbraw/zinc/89/08/42/584890842.db2.gz MXUHIKQXSRBTBO-GRYCIOLGSA-N 2 2 270.377 -0.528 20 0 CBADLP O=C1CNC(=O)N1CC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903468061 584890978 /nfs/dbraw/zinc/89/09/78/584890978.db2.gz HLUXULBVFZTBIL-SECBINFHSA-N 2 2 252.318 -0.588 20 0 CBADLP CC(=O)N1CCN(C(=O)C[NH2+][C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000903466108 584890986 /nfs/dbraw/zinc/89/09/86/584890986.db2.gz PRZMAZMMTIAFHF-CYBMUJFWSA-N 2 2 294.399 -0.449 20 0 CBADLP O=C(C[NH2+][C@H]1CC[NH2+]C12CCC2)NC(=O)NC1CC1 ZINC000903466117 584891030 /nfs/dbraw/zinc/89/10/30/584891030.db2.gz PVHPRECQDGNQQL-JTQLQIEISA-N 2 2 266.345 -0.151 20 0 CBADLP CS(=O)(=O)NC[C@H]1COCC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903474490 584891110 /nfs/dbraw/zinc/89/11/10/584891110.db2.gz NJCMBJFMLBCODS-WOPDTQHZSA-N 2 2 291.417 -0.636 20 0 CBADLP CS(=O)(=O)NC[C@H]1COCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903474490 584891111 /nfs/dbraw/zinc/89/11/11/584891111.db2.gz NJCMBJFMLBCODS-WOPDTQHZSA-N 2 2 291.417 -0.636 20 0 CBADLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@@H]2OCCNC(=O)[C@H]21 ZINC000903476250 584891154 /nfs/dbraw/zinc/89/11/54/584891154.db2.gz RWLOOXWLUHWYJZ-VOAKCMCISA-N 2 2 267.373 -0.179 20 0 CBADLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@@H]2OCCNC(=O)[C@H]21 ZINC000903476250 584891155 /nfs/dbraw/zinc/89/11/55/584891155.db2.gz RWLOOXWLUHWYJZ-VOAKCMCISA-N 2 2 267.373 -0.179 20 0 CBADLP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](C[C@H]1C[NH2+]CCO1)C2 ZINC000903495108 584891920 /nfs/dbraw/zinc/89/19/20/584891920.db2.gz VOMCOCBNICOQOM-SFTQSGBHSA-N 3 2 283.372 -0.813 20 0 CBADLP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](C[C@H]1C[NH2+]CCO1)C2 ZINC000903495108 584891922 /nfs/dbraw/zinc/89/19/22/584891922.db2.gz VOMCOCBNICOQOM-SFTQSGBHSA-N 3 2 283.372 -0.813 20 0 CBADLP [NH3+]C1(CNS(=O)(=O)CCC[NH+]2CCOCC2)CC1 ZINC000903524746 584892445 /nfs/dbraw/zinc/89/24/45/584892445.db2.gz XDYNHRUUWSOFCO-UHFFFAOYSA-N 2 2 277.390 -0.881 20 0 CBADLP Cn1c[nH+]c(CNS(=O)(=O)[C@H]2CCC[NH2+]C2)c1 ZINC000903559302 584893228 /nfs/dbraw/zinc/89/32/28/584893228.db2.gz JVDMLIHEDVCHJA-JTQLQIEISA-N 2 2 258.347 -0.409 20 0 CBADLP COCC1(S(=O)(=O)NCC[NH+]2CCC([NH3+])CC2)CC1 ZINC000903565793 584893392 /nfs/dbraw/zinc/89/33/92/584893392.db2.gz QMSQQKOUOLJOTR-UHFFFAOYSA-N 2 2 291.417 -0.492 20 0 CBADLP C[C@@H]1C(=O)NCC[N@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903727864 584896135 /nfs/dbraw/zinc/89/61/35/584896135.db2.gz YOJDNVRJFPNNLN-NEPJUHHUSA-N 2 2 267.373 -0.035 20 0 CBADLP C[C@@H]1C(=O)NCC[N@@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903727864 584896136 /nfs/dbraw/zinc/89/61/36/584896136.db2.gz YOJDNVRJFPNNLN-NEPJUHHUSA-N 2 2 267.373 -0.035 20 0 CBADLP CN1CC[N@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1=O ZINC000903728906 584896250 /nfs/dbraw/zinc/89/62/50/584896250.db2.gz HBSMCTCDHGBZKK-YPMHNXCESA-N 2 2 253.346 -0.471 20 0 CBADLP CN1CC[N@@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1=O ZINC000903728906 584896251 /nfs/dbraw/zinc/89/62/51/584896251.db2.gz HBSMCTCDHGBZKK-YPMHNXCESA-N 2 2 253.346 -0.471 20 0 CBADLP O=C1NC[C@H]2C[N@H+](C[C@H]3CCCC[NH2+]C3)CCN2C1=O ZINC000903756134 584897723 /nfs/dbraw/zinc/89/77/23/584897723.db2.gz OZQXIESHSWHGBY-RYUDHWBXSA-N 2 2 280.372 -0.981 20 0 CBADLP O=C1NC[C@H]2C[N@@H+](C[C@H]3CCCC[NH2+]C3)CCN2C1=O ZINC000903756134 584897724 /nfs/dbraw/zinc/89/77/24/584897724.db2.gz OZQXIESHSWHGBY-RYUDHWBXSA-N 2 2 280.372 -0.981 20 0 CBADLP CNC(=O)[C@H]1C[N@H+](C[C@@H]2CCCC[NH2+]C2)CCO1 ZINC000903757159 584897726 /nfs/dbraw/zinc/89/77/26/584897726.db2.gz YSELGEVPRIABOD-VXGBXAGGSA-N 2 2 255.362 -0.177 20 0 CBADLP CNC(=O)[C@H]1C[N@@H+](C[C@@H]2CCCC[NH2+]C2)CCO1 ZINC000903757159 584897727 /nfs/dbraw/zinc/89/77/27/584897727.db2.gz YSELGEVPRIABOD-VXGBXAGGSA-N 2 2 255.362 -0.177 20 0 CBADLP C[C@@H]1C[N@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC(=O)N1 ZINC000903768694 584898100 /nfs/dbraw/zinc/89/81/00/584898100.db2.gz PJKBWPLFTOYVTC-WZRBSPASSA-N 2 2 253.346 -0.425 20 0 CBADLP C[C@@H]1C[N@@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC(=O)N1 ZINC000903768694 584898101 /nfs/dbraw/zinc/89/81/01/584898101.db2.gz PJKBWPLFTOYVTC-WZRBSPASSA-N 2 2 253.346 -0.425 20 0 CBADLP OCC[NH2+][C@@H]1CCC[N@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903770306 584898479 /nfs/dbraw/zinc/89/84/79/584898479.db2.gz FQMDXYLFYSWREN-RBSFLKMASA-N 3 2 283.416 -0.199 20 0 CBADLP OCC[NH2+][C@@H]1CCC[N@@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903770306 584898480 /nfs/dbraw/zinc/89/84/80/584898480.db2.gz FQMDXYLFYSWREN-RBSFLKMASA-N 3 2 283.416 -0.199 20 0 CBADLP NC(=O)C[C@@H]1C[N@H+](C[C@@H]2CCCC[NH2+]C2)CCO1 ZINC000903775456 584899193 /nfs/dbraw/zinc/89/91/93/584899193.db2.gz LBPJPNBCUUOJDJ-VXGBXAGGSA-N 2 2 255.362 -0.048 20 0 CBADLP NC(=O)C[C@@H]1C[N@@H+](C[C@@H]2CCCC[NH2+]C2)CCO1 ZINC000903775456 584899194 /nfs/dbraw/zinc/89/91/94/584899194.db2.gz LBPJPNBCUUOJDJ-VXGBXAGGSA-N 2 2 255.362 -0.048 20 0 CBADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903777264 584899337 /nfs/dbraw/zinc/89/93/37/584899337.db2.gz VJOUGMFKOQEEOE-SECBINFHSA-N 2 2 279.344 -0.436 20 0 CBADLP [NH3+][C@]1(CO)CCC[N@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903787448 584899658 /nfs/dbraw/zinc/89/96/58/584899658.db2.gz WQWZYAXVCMZQES-MELADBBJSA-N 3 2 269.389 -0.459 20 0 CBADLP [NH3+][C@]1(CO)CCC[N@@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903787448 584899659 /nfs/dbraw/zinc/89/96/59/584899659.db2.gz WQWZYAXVCMZQES-MELADBBJSA-N 3 2 269.389 -0.459 20 0 CBADLP Cn1nnnc1CC[N@@H+]1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC000903802321 584900369 /nfs/dbraw/zinc/90/03/69/584900369.db2.gz RTULZLJEUXHNBN-ZYHUDNBSSA-N 2 2 250.350 -0.044 20 0 CBADLP Cn1nnnc1CC[N@H+]1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC000903802321 584900371 /nfs/dbraw/zinc/90/03/71/584900371.db2.gz RTULZLJEUXHNBN-ZYHUDNBSSA-N 2 2 250.350 -0.044 20 0 CBADLP CCNC(=O)C[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903817623 584900801 /nfs/dbraw/zinc/90/08/01/584900801.db2.gz ASGRBSLPEQRDOK-UHFFFAOYSA-N 2 2 255.362 -0.033 20 0 CBADLP CCNC(=O)C[N@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903817623 584900802 /nfs/dbraw/zinc/90/08/02/584900802.db2.gz ASGRBSLPEQRDOK-UHFFFAOYSA-N 2 2 255.362 -0.033 20 0 CBADLP Cn1nccc1[C@@H]1C[N@H+](CCOCC[NH3+])CCO1 ZINC000903823390 584900850 /nfs/dbraw/zinc/90/08/50/584900850.db2.gz GDBZCIWZRLPYQF-LBPRGKRZSA-N 2 2 254.334 -0.231 20 0 CBADLP Cn1nccc1[C@@H]1C[N@@H+](CCOCC[NH3+])CCO1 ZINC000903823390 584900851 /nfs/dbraw/zinc/90/08/51/584900851.db2.gz GDBZCIWZRLPYQF-LBPRGKRZSA-N 2 2 254.334 -0.231 20 0 CBADLP Nc1nc(C2CC2)nc(N2CC[NH+](CCC[NH3+])CC2)n1 ZINC000903823254 584900871 /nfs/dbraw/zinc/90/08/71/584900871.db2.gz FFXFDWMQLPNUIM-UHFFFAOYSA-N 2 2 277.376 -0.198 20 0 CBADLP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CC(=O)NCC(=O)N1CCCC1)C2 ZINC000903845314 584901897 /nfs/dbraw/zinc/90/18/97/584901897.db2.gz HXBDZRJNFYPSCZ-XQQFMLRXSA-N 2 2 294.399 -0.463 20 0 CBADLP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(=O)NCC(=O)N1CCCC1)C2 ZINC000903845314 584901899 /nfs/dbraw/zinc/90/18/99/584901899.db2.gz HXBDZRJNFYPSCZ-XQQFMLRXSA-N 2 2 294.399 -0.463 20 0 CBADLP [NH3+]C[C@@]12CC[C@@H]1CC[N@@H+]2CCN1C(=O)CNC1=O ZINC000903856877 584902351 /nfs/dbraw/zinc/90/23/51/584902351.db2.gz SETHXGSHPYAXIW-SKDRFNHKSA-N 2 2 252.318 -0.649 20 0 CBADLP [NH3+]C[C@@]12CC[C@@H]1CC[N@H+]2CCN1C(=O)CNC1=O ZINC000903856877 584902352 /nfs/dbraw/zinc/90/23/52/584902352.db2.gz SETHXGSHPYAXIW-SKDRFNHKSA-N 2 2 252.318 -0.649 20 0 CBADLP [NH3+]C[C@]12CC[C@H]1CC[N@@H+]2CCN1CCCS1(=O)=O ZINC000903864753 584902499 /nfs/dbraw/zinc/90/24/99/584902499.db2.gz WNRVTNPFOBOZDX-NWDGAFQWSA-N 2 2 273.402 -0.165 20 0 CBADLP [NH3+]C[C@]12CC[C@H]1CC[N@H+]2CCN1CCCS1(=O)=O ZINC000903864753 584902500 /nfs/dbraw/zinc/90/25/00/584902500.db2.gz WNRVTNPFOBOZDX-NWDGAFQWSA-N 2 2 273.402 -0.165 20 0 CBADLP COC(=O)[C@](C)(Cn1cccn1)[NH2+]CCN1CC[NH2+]CC1 ZINC000903863125 584902559 /nfs/dbraw/zinc/90/25/59/584902559.db2.gz JDEXWZPTANQGIA-AWEZNQCLSA-N 2 2 295.387 -0.690 20 0 CBADLP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000903873820 584902882 /nfs/dbraw/zinc/90/28/82/584902882.db2.gz MNBKNYUILPASIY-NXEZZACHSA-N 3 2 278.347 -0.244 20 0 CBADLP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000903873820 584902884 /nfs/dbraw/zinc/90/28/84/584902884.db2.gz MNBKNYUILPASIY-NXEZZACHSA-N 3 2 278.347 -0.244 20 0 CBADLP CCOC(=O)[C@@H]1C[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC000903875379 584903108 /nfs/dbraw/zinc/90/31/08/584903108.db2.gz OYPHSCYTUKPNNP-RYUDHWBXSA-N 2 2 284.356 -0.371 20 0 CBADLP CCOC(=O)[C@@H]1C[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC000903875379 584903110 /nfs/dbraw/zinc/90/31/10/584903110.db2.gz OYPHSCYTUKPNNP-RYUDHWBXSA-N 2 2 284.356 -0.371 20 0 CBADLP CCOC(=O)[C@H]1C[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC000903875377 584903121 /nfs/dbraw/zinc/90/31/21/584903121.db2.gz OYPHSCYTUKPNNP-NWDGAFQWSA-N 2 2 284.356 -0.371 20 0 CBADLP CCOC(=O)[C@H]1C[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC000903875377 584903123 /nfs/dbraw/zinc/90/31/23/584903123.db2.gz OYPHSCYTUKPNNP-NWDGAFQWSA-N 2 2 284.356 -0.371 20 0 CBADLP Cc1c(C[C@H](C[NH3+])C[N@H+]2C[C@H](CO)OC[C@H]2C)cnn1C ZINC000903898381 584904161 /nfs/dbraw/zinc/90/41/61/584904161.db2.gz KMHWEXVWWPXAJZ-UXIGCNINSA-N 2 2 296.415 -0.072 20 0 CBADLP Cc1c(C[C@H](C[NH3+])C[N@@H+]2C[C@H](CO)OC[C@H]2C)cnn1C ZINC000903898381 584904162 /nfs/dbraw/zinc/90/41/62/584904162.db2.gz KMHWEXVWWPXAJZ-UXIGCNINSA-N 2 2 296.415 -0.072 20 0 CBADLP C[NH2+]CCC[NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903918039 584904556 /nfs/dbraw/zinc/90/45/56/584904556.db2.gz QRTMVFWOLDKRHV-NSHDSACASA-N 3 2 252.366 -0.098 20 0 CBADLP CC[N@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)[C@H]1CCNC1=O ZINC000903915904 584904623 /nfs/dbraw/zinc/90/46/23/584904623.db2.gz DSVZJDYGMCTEOR-AAEUAGOBSA-N 2 2 292.387 -0.087 20 0 CBADLP CC[N@@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)[C@H]1CCNC1=O ZINC000903915904 584904624 /nfs/dbraw/zinc/90/46/24/584904624.db2.gz DSVZJDYGMCTEOR-AAEUAGOBSA-N 2 2 292.387 -0.087 20 0 CBADLP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCO[C@H]([C@H](C)O)C2)cnn1C ZINC000903930123 584904772 /nfs/dbraw/zinc/90/47/72/584904772.db2.gz SRGNKKYIKFKLRS-GUTXKFCHSA-N 2 2 296.415 -0.072 20 0 CBADLP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCO[C@H]([C@H](C)O)C2)cnn1C ZINC000903930123 584904774 /nfs/dbraw/zinc/90/47/74/584904774.db2.gz SRGNKKYIKFKLRS-GUTXKFCHSA-N 2 2 296.415 -0.072 20 0 CBADLP O=S1(=O)CCNC[C@@H]1CC[NH2+]CC12CC(C1)C[NH2+]2 ZINC000903970164 584905339 /nfs/dbraw/zinc/90/53/39/584905339.db2.gz RLEFAHVKELCQQW-CXQJBGSLSA-N 2 2 273.402 -0.895 20 0 CBADLP CC1(C)C[N@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C[C@@H]1[NH3+] ZINC000903986689 584905434 /nfs/dbraw/zinc/90/54/34/584905434.db2.gz PLTDWWGQWRBYOM-RYUDHWBXSA-N 3 2 268.405 -0.147 20 0 CBADLP CC1(C)C[N@@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C[C@@H]1[NH3+] ZINC000903986689 584905435 /nfs/dbraw/zinc/90/54/35/584905435.db2.gz PLTDWWGQWRBYOM-RYUDHWBXSA-N 3 2 268.405 -0.147 20 0 CBADLP CC(C)(CNS(C)(=O)=O)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000903988416 584905680 /nfs/dbraw/zinc/90/56/80/584905680.db2.gz QUDLWMQOJBVSNM-UHFFFAOYSA-N 2 2 261.391 -0.344 20 0 CBADLP CCN(C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)C1C[NH+](CCO)C1 ZINC000951750029 614636871 /nfs/dbraw/zinc/63/68/71/614636871.db2.gz NPFINCJDULHZBG-WCQYABFASA-N 2 2 269.389 -0.291 20 0 CBADLP CCN(C(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)C1C[NH+](CCO)C1 ZINC000951750029 614636874 /nfs/dbraw/zinc/63/68/74/614636874.db2.gz NPFINCJDULHZBG-WCQYABFASA-N 2 2 269.389 -0.291 20 0 CBADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH+](C)CC(N)=O)C1 ZINC000971640371 614660628 /nfs/dbraw/zinc/66/06/28/614660628.db2.gz FHJZRKOAWNUVNQ-QWHCGFSZSA-N 2 2 296.415 -0.121 20 0 CBADLP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH+](C)CC(N)=O)C1 ZINC000971640371 614660632 /nfs/dbraw/zinc/66/06/32/614660632.db2.gz FHJZRKOAWNUVNQ-QWHCGFSZSA-N 2 2 296.415 -0.121 20 0 CBADLP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)CC(N)=O)C1 ZINC000971640371 614660633 /nfs/dbraw/zinc/66/06/33/614660633.db2.gz FHJZRKOAWNUVNQ-QWHCGFSZSA-N 2 2 296.415 -0.121 20 0 CBADLP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)CC(N)=O)C1 ZINC000971640371 614660636 /nfs/dbraw/zinc/66/06/36/614660636.db2.gz FHJZRKOAWNUVNQ-QWHCGFSZSA-N 2 2 296.415 -0.121 20 0 CBADLP CC1(C)C[N@H+](CCO)C[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000977641463 614662062 /nfs/dbraw/zinc/66/20/62/614662062.db2.gz DTMSJVCDUSLBOR-NSHDSACASA-N 2 2 266.345 -0.298 20 0 CBADLP CC1(C)C[N@@H+](CCO)C[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000977641463 614662064 /nfs/dbraw/zinc/66/20/64/614662064.db2.gz DTMSJVCDUSLBOR-NSHDSACASA-N 2 2 266.345 -0.298 20 0 CBADLP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CC(N)=O)C1 ZINC000969798078 614679817 /nfs/dbraw/zinc/67/98/17/614679817.db2.gz RMFLLLMOAQSCGZ-AAEUAGOBSA-N 2 2 296.415 -0.217 20 0 CBADLP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CC(N)=O)C1 ZINC000969798078 614679825 /nfs/dbraw/zinc/67/98/25/614679825.db2.gz RMFLLLMOAQSCGZ-AAEUAGOBSA-N 2 2 296.415 -0.217 20 0 CBADLP CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)C1C[NH+](CCO)C1 ZINC000950096813 614685263 /nfs/dbraw/zinc/68/52/63/614685263.db2.gz DFGOQJICBCRCDM-AWEZNQCLSA-N 2 2 281.400 -0.147 20 0 CBADLP CCN(C(=O)[C@H]1C[N@H+](C)C[C@H]1C)C1C[NH+](CCO)C1 ZINC000951750030 614685411 /nfs/dbraw/zinc/68/54/11/614685411.db2.gz NPFINCJDULHZBG-YPMHNXCESA-N 2 2 269.389 -0.291 20 0 CBADLP CCN(C(=O)[C@H]1C[N@@H+](C)C[C@H]1C)C1C[NH+](CCO)C1 ZINC000951750030 614685414 /nfs/dbraw/zinc/68/54/14/614685414.db2.gz NPFINCJDULHZBG-YPMHNXCESA-N 2 2 269.389 -0.291 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](C[C@@H](C)OC)CC2)C1 ZINC000957721076 615169617 /nfs/dbraw/zinc/16/96/17/615169617.db2.gz VRBAZAOOZPLEGL-ZIAGYGMSSA-N 2 2 299.415 -0.114 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](C[C@@H](C)OC)CC2)C1 ZINC000957721076 615169618 /nfs/dbraw/zinc/16/96/18/615169618.db2.gz VRBAZAOOZPLEGL-ZIAGYGMSSA-N 2 2 299.415 -0.114 20 0 CBADLP CC[C@H](C(N)=O)[N@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000980539339 615616202 /nfs/dbraw/zinc/61/62/02/615616202.db2.gz QBLSXPRWQUMUBX-NWDGAFQWSA-N 2 2 293.371 -0.320 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000980539339 615616203 /nfs/dbraw/zinc/61/62/03/615616203.db2.gz QBLSXPRWQUMUBX-NWDGAFQWSA-N 2 2 293.371 -0.320 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000980839564 615619824 /nfs/dbraw/zinc/61/98/24/615619824.db2.gz JMYLOCOHCBGGJP-CHWSQXEVSA-N 2 2 296.415 -0.121 20 0 CBADLP CC[C@H](C(N)=O)[N@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000980839564 615619826 /nfs/dbraw/zinc/61/98/26/615619826.db2.gz JMYLOCOHCBGGJP-CHWSQXEVSA-N 2 2 296.415 -0.121 20 0 CBADLP CC[C@H](C(N)=O)[NH+]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000980839564 615619828 /nfs/dbraw/zinc/61/98/28/615619828.db2.gz JMYLOCOHCBGGJP-CHWSQXEVSA-N 2 2 296.415 -0.121 20 0 CBADLP CC[C@H](C(N)=O)[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000980839564 615619829 /nfs/dbraw/zinc/61/98/29/615619829.db2.gz JMYLOCOHCBGGJP-CHWSQXEVSA-N 2 2 296.415 -0.121 20 0 CBADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CCC[N@H+](CC(N)=O)CC1 ZINC000948812003 615826802 /nfs/dbraw/zinc/82/68/02/615826802.db2.gz DEPFDSLZAIHHNY-GFCCVEGCSA-N 2 2 293.371 -0.250 20 0 CBADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CCC[N@@H+](CC(N)=O)CC1 ZINC000948812003 615826804 /nfs/dbraw/zinc/82/68/04/615826804.db2.gz DEPFDSLZAIHHNY-GFCCVEGCSA-N 2 2 293.371 -0.250 20 0 CBADLP C[N@H+](CC(N)=O)[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000971862291 616054958 /nfs/dbraw/zinc/05/49/58/616054958.db2.gz YCZMNPGNLBBHBG-LBPRGKRZSA-N 2 2 294.399 -0.367 20 0 CBADLP C[N@@H+](CC(N)=O)[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000971862291 616054959 /nfs/dbraw/zinc/05/49/59/616054959.db2.gz YCZMNPGNLBBHBG-LBPRGKRZSA-N 2 2 294.399 -0.367 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]([N@H+](C)CCO)C1 ZINC000972727542 616110273 /nfs/dbraw/zinc/11/02/73/616110273.db2.gz DLQUFKPNTRSLJE-LLVKDONJSA-N 2 2 266.345 -0.512 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]([N@@H+](C)CCO)C1 ZINC000972727542 616110274 /nfs/dbraw/zinc/11/02/74/616110274.db2.gz DLQUFKPNTRSLJE-LLVKDONJSA-N 2 2 266.345 -0.512 20 0 CBADLP C[N@H+](CCO)[C@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000971821828 616113240 /nfs/dbraw/zinc/11/32/40/616113240.db2.gz PUGZKNYFJLHPRW-OLZOCXBDSA-N 2 2 292.383 -0.030 20 0 CBADLP C[N@@H+](CCO)[C@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000971821828 616113241 /nfs/dbraw/zinc/11/32/41/616113241.db2.gz PUGZKNYFJLHPRW-OLZOCXBDSA-N 2 2 292.383 -0.030 20 0 CBADLP C[N@H+]([C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1)[C@@H]1CCNC1=O ZINC000972430066 616114969 /nfs/dbraw/zinc/11/49/69/616114969.db2.gz YRSZJKOAMPWQQO-VXGBXAGGSA-N 2 2 291.355 -0.627 20 0 CBADLP C[N@@H+]([C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1)[C@@H]1CCNC1=O ZINC000972430066 616114970 /nfs/dbraw/zinc/11/49/70/616114970.db2.gz YRSZJKOAMPWQQO-VXGBXAGGSA-N 2 2 291.355 -0.627 20 0 CBADLP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[NH+](CCCO)CC1 ZINC000948888915 616182919 /nfs/dbraw/zinc/18/29/19/616182919.db2.gz PSUWTDOOWZRHHJ-ZDUSSCGKSA-N 2 2 269.389 -0.003 20 0 CBADLP C[N@H+]1CCCC[C@H]1C(=O)N1CC[NH+](CCCO)CC1 ZINC000948888915 616182920 /nfs/dbraw/zinc/18/29/20/616182920.db2.gz PSUWTDOOWZRHHJ-ZDUSSCGKSA-N 2 2 269.389 -0.003 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH+]([C@H]2CCNC2=O)CC1 ZINC000980833302 616209213 /nfs/dbraw/zinc/20/92/13/616209213.db2.gz DSOBWFGWQNLNAP-STQMWFEESA-N 2 2 294.399 -0.497 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)N1CCC[NH+]([C@H]2CCNC2=O)CC1 ZINC000980833302 616209214 /nfs/dbraw/zinc/20/92/14/616209214.db2.gz DSOBWFGWQNLNAP-STQMWFEESA-N 2 2 294.399 -0.497 20 0 CBADLP C[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+]([C@H]2CCNC2=O)CC1 ZINC000980833302 616209215 /nfs/dbraw/zinc/20/92/15/616209215.db2.gz DSOBWFGWQNLNAP-STQMWFEESA-N 2 2 294.399 -0.497 20 0 CBADLP C[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+]([C@H]2CCNC2=O)CC1 ZINC000980833302 616209216 /nfs/dbraw/zinc/20/92/16/616209216.db2.gz DSOBWFGWQNLNAP-STQMWFEESA-N 2 2 294.399 -0.497 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH2+]CCF)C2)C1 ZINC000968303044 616258021 /nfs/dbraw/zinc/25/80/21/616258021.db2.gz PVTQBTUBKPNIHL-MNOVXSKESA-N 2 2 259.325 -0.523 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH2+]CCF)C2)C1 ZINC000968303044 616258022 /nfs/dbraw/zinc/25/80/22/616258022.db2.gz PVTQBTUBKPNIHL-MNOVXSKESA-N 2 2 259.325 -0.523 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCCO)CC2(C)C)C1 ZINC000972991032 616259862 /nfs/dbraw/zinc/25/98/62/616259862.db2.gz CNOXLUBDTIQXDZ-QWHCGFSZSA-N 2 2 299.415 -0.474 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCCO)CC2(C)C)C1 ZINC000972991032 616259863 /nfs/dbraw/zinc/25/98/63/616259863.db2.gz CNOXLUBDTIQXDZ-QWHCGFSZSA-N 2 2 299.415 -0.474 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCCO)CC2(C)C)C1 ZINC000972991032 616259864 /nfs/dbraw/zinc/25/98/64/616259864.db2.gz CNOXLUBDTIQXDZ-QWHCGFSZSA-N 2 2 299.415 -0.474 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCCO)CC2(C)C)C1 ZINC000972991032 616259865 /nfs/dbraw/zinc/25/98/65/616259865.db2.gz CNOXLUBDTIQXDZ-QWHCGFSZSA-N 2 2 299.415 -0.474 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC000945806566 616614389 /nfs/dbraw/zinc/61/43/89/616614389.db2.gz FFVHVVNHNCSHMZ-VXGBXAGGSA-N 2 2 293.371 -0.544 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC000945806566 616614392 /nfs/dbraw/zinc/61/43/92/616614392.db2.gz FFVHVVNHNCSHMZ-VXGBXAGGSA-N 2 2 293.371 -0.544 20 0 CBADLP COC[C@@H](C)[N@@H+]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000980894277 616800141 /nfs/dbraw/zinc/80/01/41/616800141.db2.gz VJRPFTPBWXMDIU-KGLIPLIRSA-N 2 2 299.415 -0.114 20 0 CBADLP COC[C@@H](C)[N@H+]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000980894277 616800142 /nfs/dbraw/zinc/80/01/42/616800142.db2.gz VJRPFTPBWXMDIU-KGLIPLIRSA-N 2 2 299.415 -0.114 20 0 CBADLP COC[C@@H](C)[NH+]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000980894277 616800145 /nfs/dbraw/zinc/80/01/45/616800145.db2.gz VJRPFTPBWXMDIU-KGLIPLIRSA-N 2 2 299.415 -0.114 20 0 CBADLP COC[C@@H](C)[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000980894277 616800146 /nfs/dbraw/zinc/80/01/46/616800146.db2.gz VJRPFTPBWXMDIU-KGLIPLIRSA-N 2 2 299.415 -0.114 20 0 CBADLP CO[C@@H](C)C[NH+]1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000951754528 617153243 /nfs/dbraw/zinc/15/32/43/617153243.db2.gz HPPAPJMFUZNXMO-AWEZNQCLSA-N 2 2 299.415 -0.112 20 0 CBADLP [NH3+]C[C@H]1CC2(CO1)CC[NH+](C[C@@H]1C[NH2+]CCO1)CC2 ZINC000923450984 658288829 /nfs/dbraw/zinc/28/88/29/658288829.db2.gz IZTSONGPWNOJFQ-OLZOCXBDSA-N 3 2 269.389 -0.195 20 0 CBADLP C[C@@H](C1CC1)N(C)S(=O)(=O)N1CC[NH2+]CC[NH2+]CC1 ZINC000923690493 658397211 /nfs/dbraw/zinc/39/72/11/658397211.db2.gz BFRJEFCLJXMPRX-NSHDSACASA-N 2 2 290.433 -0.544 20 0 CBADLP O=S(=O)([C@@H]1CCC[NH2+]C1)N1CC[NH2+]C[C@@H]1C(F)F ZINC000923641759 658371214 /nfs/dbraw/zinc/37/12/14/658371214.db2.gz XYLOTIBWCANEDW-RKDXNWHRSA-N 2 2 283.344 -0.393 20 0 CBADLP O=S(=O)([C@@H]1CCC[NH2+]C1)N1CC[NH2+]C[C@H]1C(F)F ZINC000923641751 658371280 /nfs/dbraw/zinc/37/12/80/658371280.db2.gz XYLOTIBWCANEDW-BDAKNGLRSA-N 2 2 283.344 -0.393 20 0 CBADLP C[C@@H]([NH2+]CC[C@H]1CNCCS1(=O)=O)[C@H]1CCCC[NH2+]1 ZINC000925790038 658872027 /nfs/dbraw/zinc/87/20/27/658872027.db2.gz FGXWARPAEWGDJS-FRRDWIJNSA-N 2 2 289.445 -0.117 20 0 CBADLP C[C@@H]([NH2+]CC[C@H]1CNCCS1(=O)=O)[C@H]1CCC[NH2+]1 ZINC000925788921 658872131 /nfs/dbraw/zinc/87/21/31/658872131.db2.gz DKJJHPXEMNLEKL-GRYCIOLGSA-N 2 2 275.418 -0.507 20 0 CBADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC[C@H]1CNCCS1(=O)=O ZINC000925788110 658872258 /nfs/dbraw/zinc/87/22/58/658872258.db2.gz FZNSKIJWIMCOLN-GRYCIOLGSA-N 2 2 275.418 -0.649 20 0 CBADLP C[C@@H]([NH2+]CC[C@@H]1CNCCS1(=O)=O)[C@H]1CCCC[NH2+]1 ZINC000925790039 658872322 /nfs/dbraw/zinc/87/23/22/658872322.db2.gz FGXWARPAEWGDJS-JHJVBQTASA-N 2 2 289.445 -0.117 20 0 CBADLP C[NH+](C)CCCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000929163406 659095754 /nfs/dbraw/zinc/09/57/54/659095754.db2.gz HHARFNJTHSAACQ-KGLIPLIRSA-N 2 2 299.415 -0.066 20 0 CBADLP Cc1[nH+]ccn1CCCC[NH+]1CC(S(N)(=O)=O)C1 ZINC000930731682 659330257 /nfs/dbraw/zinc/33/02/57/659330257.db2.gz JMHCYMCWIBGWRU-UHFFFAOYSA-N 2 2 272.374 -0.056 20 0 CBADLP CCN1OC[C@@H]([NH+]2CCC(O)(C[NH+](C)C)CC2)C1=O ZINC000931482565 659470304 /nfs/dbraw/zinc/47/03/04/659470304.db2.gz XPDIFMKRIZEZEG-LLVKDONJSA-N 2 2 271.361 -0.463 20 0 CBADLP CCOC(=O)[C@@H]1C[C@H]1C[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000931487524 659470445 /nfs/dbraw/zinc/47/04/45/659470445.db2.gz DGFGURFIFPSJNP-QWHCGFSZSA-N 2 2 297.399 -0.109 20 0 CBADLP CCOC(=O)[C@@H]1C[C@H]1C[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000931487524 659470462 /nfs/dbraw/zinc/47/04/62/659470462.db2.gz DGFGURFIFPSJNP-QWHCGFSZSA-N 2 2 297.399 -0.109 20 0 CBADLP CCN1OC[C@H]([NH+]2CCC(O)(C[NH+](C)C)CC2)C1=O ZINC000931482566 659471009 /nfs/dbraw/zinc/47/10/09/659471009.db2.gz XPDIFMKRIZEZEG-NSHDSACASA-N 2 2 271.361 -0.463 20 0 CBADLP CC(C)(C)[NH2+]CCC(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000037823714 656004029 /nfs/dbraw/zinc/00/40/29/656004029.db2.gz ZFYIFQMTRPCXKH-UHFFFAOYSA-N 2 2 284.404 -0.216 20 0 CBADLP CC(C)(C)[NH2+]CCC(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000037823714 656004031 /nfs/dbraw/zinc/00/40/31/656004031.db2.gz ZFYIFQMTRPCXKH-UHFFFAOYSA-N 2 2 284.404 -0.216 20 0 CBADLP COCC[C@H]([NH3+])C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000052809656 656025221 /nfs/dbraw/zinc/02/52/21/656025221.db2.gz UFMXIMAOFNPXNN-NSHDSACASA-N 2 2 273.377 -0.423 20 0 CBADLP CN(C)C(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000121178463 656066645 /nfs/dbraw/zinc/06/66/45/656066645.db2.gz TUVCCZBCEZLJOK-ZDUSSCGKSA-N 2 2 296.415 -0.297 20 0 CBADLP CN(C)C(=O)C[NH+]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000121178463 656066653 /nfs/dbraw/zinc/06/66/53/656066653.db2.gz TUVCCZBCEZLJOK-ZDUSSCGKSA-N 2 2 296.415 -0.297 20 0 CBADLP CN(C)C(=O)C[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000121178463 656066657 /nfs/dbraw/zinc/06/66/57/656066657.db2.gz TUVCCZBCEZLJOK-ZDUSSCGKSA-N 2 2 296.415 -0.297 20 0 CBADLP Cc1[nH+]ccn1CCC[N@@H+](C)CN1C(=O)C(=O)N(C)C1=O ZINC000162832719 656078595 /nfs/dbraw/zinc/07/85/95/656078595.db2.gz VTLJXRZGDOOFHC-UHFFFAOYSA-N 2 2 293.327 -0.108 20 0 CBADLP Cc1[nH+]ccn1CCC[N@H+](C)CN1C(=O)C(=O)N(C)C1=O ZINC000162832719 656078597 /nfs/dbraw/zinc/07/85/97/656078597.db2.gz VTLJXRZGDOOFHC-UHFFFAOYSA-N 2 2 293.327 -0.108 20 0 CBADLP C[N@H+](CCCN1CC[NH+](C)CC1)[C@@H]1CCOC1=O ZINC000174724044 656086524 /nfs/dbraw/zinc/08/65/24/656086524.db2.gz TZTKYIIEAVGECL-GFCCVEGCSA-N 2 2 255.362 -0.129 20 0 CBADLP C[N@@H+](CCCN1CC[NH+](C)CC1)[C@@H]1CCOC1=O ZINC000174724044 656086530 /nfs/dbraw/zinc/08/65/30/656086530.db2.gz TZTKYIIEAVGECL-GFCCVEGCSA-N 2 2 255.362 -0.129 20 0 CBADLP CO[C@@H](C[NH3+])C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000227362490 656108306 /nfs/dbraw/zinc/10/83/06/656108306.db2.gz UIANQFIIAKEIRY-NEPJUHHUSA-N 2 2 271.361 -0.717 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]([NH3+])CC1CC1 ZINC000310771438 656143957 /nfs/dbraw/zinc/14/39/57/656143957.db2.gz UDQSLLBQJBITIS-PWSUYJOCSA-N 2 2 255.362 -0.049 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]([NH3+])CC1CC1 ZINC000310771440 656144415 /nfs/dbraw/zinc/14/44/15/656144415.db2.gz UDQSLLBQJBITIS-ZYHUDNBSSA-N 2 2 255.362 -0.049 20 0 CBADLP C[C@H]1CN(C(=O)C[N@@H+]2CC[C@](C)(C[NH3+])C2)CCO1 ZINC000311152091 656145400 /nfs/dbraw/zinc/14/54/00/656145400.db2.gz NLNUAPNRFAUDKZ-WCQYABFASA-N 2 2 255.362 -0.096 20 0 CBADLP C[C@H]1CN(C(=O)C[N@H+]2CC[C@](C)(C[NH3+])C2)CCO1 ZINC000311152091 656145401 /nfs/dbraw/zinc/14/54/01/656145401.db2.gz NLNUAPNRFAUDKZ-WCQYABFASA-N 2 2 255.362 -0.096 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000311752068 656146296 /nfs/dbraw/zinc/14/62/96/656146296.db2.gz VBYIZVACTFDCOD-MCIONIFRSA-N 3 2 273.421 -0.015 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000311752068 656146299 /nfs/dbraw/zinc/14/62/99/656146299.db2.gz VBYIZVACTFDCOD-MCIONIFRSA-N 3 2 273.421 -0.015 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000311752068 656146301 /nfs/dbraw/zinc/14/63/01/656146301.db2.gz VBYIZVACTFDCOD-MCIONIFRSA-N 3 2 273.421 -0.015 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000311752068 656146306 /nfs/dbraw/zinc/14/63/06/656146306.db2.gz VBYIZVACTFDCOD-MCIONIFRSA-N 3 2 273.421 -0.015 20 0 CBADLP C[NH+](C)CC1(O)CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000710572024 656198622 /nfs/dbraw/zinc/19/86/22/656198622.db2.gz YJFXWEMKVCQQDO-CQSZACIVSA-N 3 2 285.432 -0.170 20 0 CBADLP C[NH+](C)CC1(O)CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000710572024 656198623 /nfs/dbraw/zinc/19/86/23/656198623.db2.gz YJFXWEMKVCQQDO-CQSZACIVSA-N 3 2 285.432 -0.170 20 0 CBADLP COC[C@]1(C(=O)NCCCn2cc[nH+]c2)C[NH2+]CCO1 ZINC000710712651 656199699 /nfs/dbraw/zinc/19/96/99/656199699.db2.gz QPVZQXSHVQHVNE-ZDUSSCGKSA-N 2 2 282.344 -0.606 20 0 CBADLP O=C(N1CC[NH+](CCO)CC1)C12CC[NH+](CC1)C2 ZINC000715839243 656220808 /nfs/dbraw/zinc/22/08/08/656220808.db2.gz UKXSFRHXXJSIDV-UHFFFAOYSA-N 2 2 253.346 -0.781 20 0 CBADLP [NH3+][C@H]1C[C@@H](CNC(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000877241204 656246172 /nfs/dbraw/zinc/24/61/72/656246172.db2.gz MVRORTXYOYVPRG-ZLLARURESA-N 2 2 253.346 -0.272 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000884639424 656253596 /nfs/dbraw/zinc/25/35/96/656253596.db2.gz XTGZQAFNYOVCGY-WDEREUQCSA-N 2 2 279.344 -0.663 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC([NH+]3CCCC3)C2)C1 ZINC000898609170 656300669 /nfs/dbraw/zinc/30/06/69/656300669.db2.gz RLJWOBPGVDUFDT-GFCCVEGCSA-N 2 2 253.346 -0.376 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N2CC([NH+]3CCCC3)C2)C1 ZINC000898609170 656300670 /nfs/dbraw/zinc/30/06/70/656300670.db2.gz RLJWOBPGVDUFDT-GFCCVEGCSA-N 2 2 253.346 -0.376 20 0 CBADLP COC(=O)[C@@H]1C[N@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CCO1 ZINC000903753329 656322611 /nfs/dbraw/zinc/32/26/11/656322611.db2.gz TYKFKJDCPAHAMO-OBJOEFQTSA-N 2 2 284.356 -0.371 20 0 CBADLP COC(=O)[C@@H]1C[N@@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CCO1 ZINC000903753329 656322617 /nfs/dbraw/zinc/32/26/17/656322617.db2.gz TYKFKJDCPAHAMO-OBJOEFQTSA-N 2 2 284.356 -0.371 20 0 CBADLP CNS(=O)(=O)[C@H]1CC[N@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000904329452 656325398 /nfs/dbraw/zinc/32/53/98/656325398.db2.gz ZDFWHVMBAQCHQI-NWDGAFQWSA-N 2 2 275.418 0.000 20 0 CBADLP CNS(=O)(=O)[C@H]1CC[N@@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000904329452 656325401 /nfs/dbraw/zinc/32/54/01/656325401.db2.gz ZDFWHVMBAQCHQI-NWDGAFQWSA-N 2 2 275.418 0.000 20 0 CBADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CC[C@H](CS(N)(=O)=O)C1 ZINC000904428601 656327096 /nfs/dbraw/zinc/32/70/96/656327096.db2.gz MSPVAFQCHKSLMA-WDEREUQCSA-N 2 2 263.407 -0.030 20 0 CBADLP CC(C)C[C@@H]([NH3+])C[N@H+]1CC[C@H](CS(N)(=O)=O)C1 ZINC000904428601 656327100 /nfs/dbraw/zinc/32/71/00/656327100.db2.gz MSPVAFQCHKSLMA-WDEREUQCSA-N 2 2 263.407 -0.030 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)NC[C@@H]2CCCO2)CC1 ZINC000905004295 656332213 /nfs/dbraw/zinc/33/22/13/656332213.db2.gz GHTOOZINWYTRBP-LBPRGKRZSA-N 2 2 270.377 -0.112 20 0 CBADLP C[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@]32C[NH3+])CC1 ZINC000905001763 656332236 /nfs/dbraw/zinc/33/22/36/656332236.db2.gz QBPHDCQMDVBDRX-RISCZKNCSA-N 2 2 280.372 -0.900 20 0 CBADLP C[NH+]1CCN(C(=O)C(=O)N2CCC[C@@]23CC[NH2+]C3)CC1 ZINC000905007446 656332851 /nfs/dbraw/zinc/33/28/51/656332851.db2.gz IBSJRIOETXZZTI-AWEZNQCLSA-N 2 2 280.372 -0.885 20 0 CBADLP [NH3+]C[C@@H](NS(=O)(=O)CCC[NH+]1CCOCC1)C1CC1 ZINC000905331030 656349267 /nfs/dbraw/zinc/34/92/67/656349267.db2.gz XZGMGSYLDMGDCL-GFCCVEGCSA-N 2 2 291.417 -0.635 20 0 CBADLP O=S(=O)(CCC[NH+]1CCOCC1)N[C@@H]1CCC[NH2+]C1 ZINC000905330685 656349390 /nfs/dbraw/zinc/34/93/90/656349390.db2.gz WDEDYMNMBNHXLB-GFCCVEGCSA-N 2 2 291.417 -0.620 20 0 CBADLP OCCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)C1(O)CCC1 ZINC000905367641 656354294 /nfs/dbraw/zinc/35/42/94/656354294.db2.gz LFZSPHHVUKZCOM-QWHCGFSZSA-N 2 2 272.389 -0.301 20 0 CBADLP OCCC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)C1(O)CCC1 ZINC000905367641 656354296 /nfs/dbraw/zinc/35/42/96/656354296.db2.gz LFZSPHHVUKZCOM-QWHCGFSZSA-N 2 2 272.389 -0.301 20 0 CBADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C[C@@H](O)C1(O)CCCC1 ZINC000905391551 656356038 /nfs/dbraw/zinc/35/60/38/656356038.db2.gz VTTCZRDQQSANLZ-QWHCGFSZSA-N 2 2 299.415 -0.418 20 0 CBADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C[C@@H](O)C1(O)CCCC1 ZINC000905391551 656356043 /nfs/dbraw/zinc/35/60/43/656356043.db2.gz VTTCZRDQQSANLZ-QWHCGFSZSA-N 2 2 299.415 -0.418 20 0 CBADLP CN1CC[NH+](C[C@H](O)CNCC[N@@H+]2CCC(C)(C)C2)CC1 ZINC000905678953 656365445 /nfs/dbraw/zinc/36/54/45/656365445.db2.gz NQIJWTOMMNSMLB-OAHLLOKOSA-N 2 2 298.475 -0.084 20 0 CBADLP CN1CC[NH+](C[C@H](O)CNCC[N@H+]2CCC(C)(C)C2)CC1 ZINC000905678953 656365448 /nfs/dbraw/zinc/36/54/48/656365448.db2.gz NQIJWTOMMNSMLB-OAHLLOKOSA-N 2 2 298.475 -0.084 20 0 CBADLP COCC[NH+]1CCC([NH2+][C@@H]2CCN(OC)C2=O)CC1 ZINC000905761715 656367090 /nfs/dbraw/zinc/36/70/90/656367090.db2.gz PIWQBIJILPSOAT-GFCCVEGCSA-N 2 2 271.361 -0.151 20 0 CBADLP COCC[NH+]1CCN(C(=O)C2CN(C)CC[N@H+](C)C2)CC1 ZINC000906670064 656395873 /nfs/dbraw/zinc/39/58/73/656395873.db2.gz IRSWJUXVGCKIPT-UHFFFAOYSA-N 2 2 298.431 -0.730 20 0 CBADLP COCC[NH+]1CCN(C(=O)C2CN(C)CC[N@@H+](C)C2)CC1 ZINC000906670064 656395876 /nfs/dbraw/zinc/39/58/76/656395876.db2.gz IRSWJUXVGCKIPT-UHFFFAOYSA-N 2 2 298.431 -0.730 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CCC([NH2+]CCO)CC1 ZINC000997037142 656464454 /nfs/dbraw/zinc/46/44/54/656464454.db2.gz UMFMDTBSGIFNOQ-UHFFFAOYSA-N 2 2 252.318 -0.475 20 0 CBADLP C[C@H]([NH2+]C1CCN(C(=O)Cc2c[nH+]cn2C)CC1)C(N)=O ZINC000997181407 656469066 /nfs/dbraw/zinc/46/90/66/656469066.db2.gz ZTSQRMNVLLSOMX-JTQLQIEISA-N 2 2 293.371 -0.583 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)N1CCC([NH2+]CCO)CC1 ZINC000997238756 656470034 /nfs/dbraw/zinc/47/00/34/656470034.db2.gz WXBHSHRZAVDONI-UHFFFAOYSA-N 2 2 280.372 -0.074 20 0 CBADLP O=C(CNc1cccc[nH+]1)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000908028586 656625239 /nfs/dbraw/zinc/62/52/39/656625239.db2.gz BGHVIFAWQWOYKB-CYBMUJFWSA-N 2 2 289.383 0.000 20 0 CBADLP O=C(CNc1cccc[nH+]1)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000908028586 656625259 /nfs/dbraw/zinc/62/52/59/656625259.db2.gz BGHVIFAWQWOYKB-CYBMUJFWSA-N 2 2 289.383 0.000 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C1CC([NH2+]CCO)C1 ZINC000999752674 656647880 /nfs/dbraw/zinc/64/78/80/656647880.db2.gz GXCDVNZACYSMFD-UHFFFAOYSA-N 2 2 266.345 -0.168 20 0 CBADLP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000908134089 656652446 /nfs/dbraw/zinc/65/24/46/656652446.db2.gz MYSWJPWYRQEDLP-MPKXVKKWSA-N 2 2 278.356 -0.231 20 0 CBADLP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000908134089 656652452 /nfs/dbraw/zinc/65/24/52/656652452.db2.gz MYSWJPWYRQEDLP-MPKXVKKWSA-N 2 2 278.356 -0.231 20 0 CBADLP CC[N@@H+]1CCN(C(=O)[C@]2(C)C[C@@H](O)C[NH+]2C)[C@@H](C)C1 ZINC000908136250 656653363 /nfs/dbraw/zinc/65/33/63/656653363.db2.gz BKDVZRCFDJORJH-SCRDCRAPSA-N 2 2 269.389 -0.006 20 0 CBADLP CC[N@H+]1CCN(C(=O)[C@]2(C)C[C@@H](O)C[NH+]2C)[C@@H](C)C1 ZINC000908136250 656653376 /nfs/dbraw/zinc/65/33/76/656653376.db2.gz BKDVZRCFDJORJH-SCRDCRAPSA-N 2 2 269.389 -0.006 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)[C@@H](C)C1 ZINC000908136250 656653393 /nfs/dbraw/zinc/65/33/93/656653393.db2.gz BKDVZRCFDJORJH-SCRDCRAPSA-N 2 2 269.389 -0.006 20 0 CBADLP C[C@@H]([NH2+][C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1)C(N)=O ZINC000999837861 656656124 /nfs/dbraw/zinc/65/61/24/656656124.db2.gz SZEQJYVHWMMTRK-VXGBXAGGSA-N 2 2 293.371 -0.272 20 0 CBADLP C[C@H]([NH2+][C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1)C(N)=O ZINC000999837854 656656383 /nfs/dbraw/zinc/65/63/83/656656383.db2.gz SZEQJYVHWMMTRK-NWDGAFQWSA-N 2 2 293.371 -0.272 20 0 CBADLP CC[C@H]([NH2+][C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1)C(N)=O ZINC001000305210 656709094 /nfs/dbraw/zinc/70/90/94/656709094.db2.gz AYEKSEUMQYRLPY-PWSUYJOCSA-N 2 2 293.371 -0.203 20 0 CBADLP C[C@@H](CC(=O)N1CCC[C@H]([NH2+]CC(N)=O)C1)n1cc[nH+]c1 ZINC001000332878 656709948 /nfs/dbraw/zinc/70/99/48/656709948.db2.gz AUDZKHZEOWEQSH-RYUDHWBXSA-N 2 2 293.371 -0.100 20 0 CBADLP C[C@@H]([NH2+][C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1)C(N)=O ZINC001000314559 656710638 /nfs/dbraw/zinc/71/06/38/656710638.db2.gz YPFFFNGFQBYMDB-ZJUUUORDSA-N 2 2 279.344 -0.593 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@]2(C)C[C@H](O)C[NH+]2C)C[C@H](C)[N@H+]1C ZINC000908435063 656726902 /nfs/dbraw/zinc/72/69/02/656726902.db2.gz APGJIWOGVLVRBH-KZVDOYCCSA-N 2 2 269.389 -0.008 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@]2(C)C[C@H](O)C[NH+]2C)C[C@H](C)[N@@H+]1C ZINC000908435063 656726906 /nfs/dbraw/zinc/72/69/06/656726906.db2.gz APGJIWOGVLVRBH-KZVDOYCCSA-N 2 2 269.389 -0.008 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)C[C@H](C)[NH+]1C ZINC000908435063 656726914 /nfs/dbraw/zinc/72/69/14/656726914.db2.gz APGJIWOGVLVRBH-KZVDOYCCSA-N 2 2 269.389 -0.008 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)C[C@H](C)[NH+]1C ZINC000908435063 656726929 /nfs/dbraw/zinc/72/69/29/656726929.db2.gz APGJIWOGVLVRBH-KZVDOYCCSA-N 2 2 269.389 -0.008 20 0 CBADLP C[N@@H+]1CCC[C@@](O)(CC(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000908759992 656758217 /nfs/dbraw/zinc/75/82/17/656758217.db2.gz JUXVXRWDYTVIFM-SMDDNHRTSA-N 2 2 278.356 -0.229 20 0 CBADLP C[N@H+]1CCC[C@@](O)(CC(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000908759992 656758220 /nfs/dbraw/zinc/75/82/20/656758220.db2.gz JUXVXRWDYTVIFM-SMDDNHRTSA-N 2 2 278.356 -0.229 20 0 CBADLP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCC[NH+]1CCC(O)CC1 ZINC000909272564 656803974 /nfs/dbraw/zinc/80/39/74/656803974.db2.gz LDQYDOVWFSPRNL-GXTWGEPZSA-N 2 2 285.388 -0.986 20 0 CBADLP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCC[NH+]1CCC(O)CC1 ZINC000909272564 656803975 /nfs/dbraw/zinc/80/39/75/656803975.db2.gz LDQYDOVWFSPRNL-GXTWGEPZSA-N 2 2 285.388 -0.986 20 0 CBADLP C[C@@H]1C[N@H+](CCO)CCN1C(=O)C1CN(C)CC[NH+](C)C1 ZINC000909437753 656813822 /nfs/dbraw/zinc/81/38/22/656813822.db2.gz MIRFXPKMIAICQM-CYBMUJFWSA-N 2 2 298.431 -0.995 20 0 CBADLP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)C1CN(C)CC[NH+](C)C1 ZINC000909437753 656813825 /nfs/dbraw/zinc/81/38/25/656813825.db2.gz MIRFXPKMIAICQM-CYBMUJFWSA-N 2 2 298.431 -0.995 20 0 CBADLP C[C@@H]1C[NH+](CCO)CCN1C(=O)C1CN(C)CC[N@H+](C)C1 ZINC000909437753 656813826 /nfs/dbraw/zinc/81/38/26/656813826.db2.gz MIRFXPKMIAICQM-CYBMUJFWSA-N 2 2 298.431 -0.995 20 0 CBADLP C[C@@H]1C[NH+](CCO)CCN1C(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000909437753 656813827 /nfs/dbraw/zinc/81/38/27/656813827.db2.gz MIRFXPKMIAICQM-CYBMUJFWSA-N 2 2 298.431 -0.995 20 0 CBADLP CNC(=O)C[NH+]1CCC(NC(=O)Cn2c[nH+]cc2C)CC1 ZINC001003312824 656855092 /nfs/dbraw/zinc/85/50/92/656855092.db2.gz PWKRYSPYBVIUEN-UHFFFAOYSA-N 2 2 293.371 -0.482 20 0 CBADLP COC(=O)[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[N@H+](C)C1 ZINC000910413834 656856799 /nfs/dbraw/zinc/85/67/99/656856799.db2.gz WMQNLOFRKNKYMD-SNVBAGLBSA-N 2 2 280.328 -0.485 20 0 CBADLP COC(=O)[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[N@@H+](C)C1 ZINC000910413834 656856803 /nfs/dbraw/zinc/85/68/03/656856803.db2.gz WMQNLOFRKNKYMD-SNVBAGLBSA-N 2 2 280.328 -0.485 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC1CC[NH+](CCCO)CC1 ZINC001003702106 656869484 /nfs/dbraw/zinc/86/94/84/656869484.db2.gz DQIQCXHFTAUUHY-UHFFFAOYSA-N 2 2 266.345 -0.085 20 0 CBADLP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000910557143 656875530 /nfs/dbraw/zinc/87/55/30/656875530.db2.gz TYZBTLAFUVPDLF-CYBMUJFWSA-N 2 2 294.399 -0.497 20 0 CBADLP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000910557143 656875534 /nfs/dbraw/zinc/87/55/34/656875534.db2.gz TYZBTLAFUVPDLF-CYBMUJFWSA-N 2 2 294.399 -0.497 20 0 CBADLP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CC[NH+](C)C(C)(C)C1 ZINC000910774569 656891590 /nfs/dbraw/zinc/89/15/90/656891590.db2.gz KRMPXGKKGFNOCR-GFCCVEGCSA-N 2 2 296.415 -0.251 20 0 CBADLP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CC[NH+](C)C(C)(C)C1 ZINC000910774569 656891592 /nfs/dbraw/zinc/89/15/92/656891592.db2.gz KRMPXGKKGFNOCR-GFCCVEGCSA-N 2 2 296.415 -0.251 20 0 CBADLP CC[NH+]1CC[C@@H]1CNC(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000910774569 656891593 /nfs/dbraw/zinc/89/15/93/656891593.db2.gz KRMPXGKKGFNOCR-GFCCVEGCSA-N 2 2 296.415 -0.251 20 0 CBADLP CC[NH+]1CC[C@@H]1CNC(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000910774569 656891594 /nfs/dbraw/zinc/89/15/94/656891594.db2.gz KRMPXGKKGFNOCR-GFCCVEGCSA-N 2 2 296.415 -0.251 20 0 CBADLP C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)NCCn1cc[nH+]c1 ZINC000910985530 656922103 /nfs/dbraw/zinc/92/21/03/656922103.db2.gz BLDJDJXAHKQYQC-LBPRGKRZSA-N 2 2 293.371 -0.400 20 0 CBADLP C[C@@H]1CN(C(=O)C(=O)NCCn2cc[nH+]c2)C[C@H]1C[NH3+] ZINC000910987447 656922127 /nfs/dbraw/zinc/92/21/27/656922127.db2.gz OVRBOYKKFBXQRW-GHMZBOCLSA-N 2 2 279.344 -0.948 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000911228539 656990722 /nfs/dbraw/zinc/99/07/22/656990722.db2.gz HEGGBURSAJBPIR-GHMZBOCLSA-N 2 2 293.371 -0.498 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000911229661 656990830 /nfs/dbraw/zinc/99/08/30/656990830.db2.gz LGWDBSXKDSTQIH-QWRGUYRKSA-N 2 2 279.344 -0.663 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC000911229685 656990848 /nfs/dbraw/zinc/99/08/48/656990848.db2.gz LXFJSOYJIHOPRW-GMTAPVOTSA-N 2 2 279.344 -0.888 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000911230731 656990903 /nfs/dbraw/zinc/99/09/03/656990903.db2.gz UWHUXMCBHSGOHT-VXGBXAGGSA-N 2 2 293.371 -0.415 20 0 CBADLP [NH3+][C@H]1CCCN(C(=O)C(=O)NCCCn2cc[nH+]c2)C1 ZINC000911246578 656996015 /nfs/dbraw/zinc/99/60/15/656996015.db2.gz IMHIWYPNKWEQCQ-NSHDSACASA-N 2 2 279.344 -0.661 20 0 CBADLP [NH3+]CC[C@H]1CCN(C(=O)C(=O)NCCCn2cc[nH+]c2)C1 ZINC000911246213 656996658 /nfs/dbraw/zinc/99/66/58/656996658.db2.gz GEDBTRDXVAFAMQ-LBPRGKRZSA-N 2 2 293.371 -0.413 20 0 CBADLP [NH3+]CC[C@@H]1CCN(C(=O)C(=O)NCCCn2cc[nH+]c2)C1 ZINC000911246212 656996987 /nfs/dbraw/zinc/99/69/87/656996987.db2.gz GEDBTRDXVAFAMQ-GFCCVEGCSA-N 2 2 293.371 -0.413 20 0 CBADLP NC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001007350209 657005706 /nfs/dbraw/zinc/00/57/06/657005706.db2.gz PKXDTHMGNDGKIG-QWHCGFSZSA-N 2 2 294.399 -0.606 20 0 CBADLP NC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001007350209 657005709 /nfs/dbraw/zinc/00/57/09/657005709.db2.gz PKXDTHMGNDGKIG-QWHCGFSZSA-N 2 2 294.399 -0.606 20 0 CBADLP C[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CC(N)=O)C2)CC1 ZINC001008404131 657043732 /nfs/dbraw/zinc/04/37/32/657043732.db2.gz IEMVLSVPPVNPNU-GFCCVEGCSA-N 2 2 282.388 -0.606 20 0 CBADLP C[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)C2)CC1 ZINC001008404131 657043743 /nfs/dbraw/zinc/04/37/43/657043743.db2.gz IEMVLSVPPVNPNU-GFCCVEGCSA-N 2 2 282.388 -0.606 20 0 CBADLP CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001008531197 657048543 /nfs/dbraw/zinc/04/85/43/657048543.db2.gz KRVWTDKLPGADCD-CHWSQXEVSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001008531197 657048547 /nfs/dbraw/zinc/04/85/47/657048547.db2.gz KRVWTDKLPGADCD-CHWSQXEVSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[NH+]1CCC[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001008531197 657048552 /nfs/dbraw/zinc/04/85/52/657048552.db2.gz KRVWTDKLPGADCD-CHWSQXEVSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[NH+]1CCC[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001008531197 657048558 /nfs/dbraw/zinc/04/85/58/657048558.db2.gz KRVWTDKLPGADCD-CHWSQXEVSA-N 2 2 296.415 -0.203 20 0 CBADLP C[NH+]1CCC(CC(=O)N[C@@H]2CCC[N@H+](CC(N)=O)C2)CC1 ZINC001008761193 657056714 /nfs/dbraw/zinc/05/67/14/657056714.db2.gz OTOWDLPZZUBFDQ-CYBMUJFWSA-N 2 2 296.415 -0.216 20 0 CBADLP C[NH+]1CCC(CC(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)C2)CC1 ZINC001008761193 657056719 /nfs/dbraw/zinc/05/67/19/657056719.db2.gz OTOWDLPZZUBFDQ-CYBMUJFWSA-N 2 2 296.415 -0.216 20 0 CBADLP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CCC[NH+](CC(N)=O)C2)C1 ZINC001009201484 657068875 /nfs/dbraw/zinc/06/88/75/657068875.db2.gz KTJUWTHQUYFASQ-RYUDHWBXSA-N 2 2 282.388 -0.606 20 0 CBADLP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CCC[NH+](CC(N)=O)C2)C1 ZINC001009201484 657068881 /nfs/dbraw/zinc/06/88/81/657068881.db2.gz KTJUWTHQUYFASQ-RYUDHWBXSA-N 2 2 282.388 -0.606 20 0 CBADLP C[NH+]1CC[C@@H](CC(=O)N[C@H]2CCC[N@H+](CC(N)=O)C2)C1 ZINC001009201484 657068885 /nfs/dbraw/zinc/06/88/85/657068885.db2.gz KTJUWTHQUYFASQ-RYUDHWBXSA-N 2 2 282.388 -0.606 20 0 CBADLP C[NH+]1CC[C@@H](CC(=O)N[C@H]2CCC[N@@H+](CC(N)=O)C2)C1 ZINC001009201484 657068888 /nfs/dbraw/zinc/06/88/88/657068888.db2.gz KTJUWTHQUYFASQ-RYUDHWBXSA-N 2 2 282.388 -0.606 20 0 CBADLP CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001009223282 657069498 /nfs/dbraw/zinc/06/94/98/657069498.db2.gz GQYJUCJQJCHJHI-LBPRGKRZSA-N 2 2 294.399 -0.591 20 0 CBADLP CNC(=O)C[N@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001009223282 657069501 /nfs/dbraw/zinc/06/95/01/657069501.db2.gz GQYJUCJQJCHJHI-LBPRGKRZSA-N 2 2 294.399 -0.591 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC1 ZINC000911537545 657071326 /nfs/dbraw/zinc/07/13/26/657071326.db2.gz ISTAWRBVGRQWQM-QJPTWQEYSA-N 2 2 280.372 -0.840 20 0 CBADLP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000911551480 657076050 /nfs/dbraw/zinc/07/60/50/657076050.db2.gz NDTFKOPFDLCKKO-KGYLQXTDSA-N 2 2 292.383 -0.698 20 0 CBADLP CN(C)C(=O)C[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001009518184 657077427 /nfs/dbraw/zinc/07/74/27/657077427.db2.gz PXJNJKVYUYNDAK-ZDUSSCGKSA-N 2 2 296.415 -0.249 20 0 CBADLP CN(C)C(=O)C[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001009518184 657077433 /nfs/dbraw/zinc/07/74/33/657077433.db2.gz PXJNJKVYUYNDAK-ZDUSSCGKSA-N 2 2 296.415 -0.249 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001009535975 657079228 /nfs/dbraw/zinc/07/92/28/657079228.db2.gz IFQBWBCPFHFEKN-CHWSQXEVSA-N 2 2 296.415 -0.073 20 0 CBADLP CC[C@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001009535975 657079238 /nfs/dbraw/zinc/07/92/38/657079238.db2.gz IFQBWBCPFHFEKN-CHWSQXEVSA-N 2 2 296.415 -0.073 20 0 CBADLP O=C(CNC(=O)c1cc2c[nH+]ccc2[nH]1)N1CC[NH2+]CC1 ZINC000911702563 657110830 /nfs/dbraw/zinc/11/08/30/657110830.db2.gz OAIQPXGIQIZJHW-UHFFFAOYSA-N 2 2 287.323 -0.276 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CC(=O)N2CCC2)C1 ZINC001010370252 657165679 /nfs/dbraw/zinc/16/56/79/657165679.db2.gz UYOAHEHKMOLGLJ-CHWSQXEVSA-N 2 2 294.399 -0.497 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CC(=O)N2CCC2)C1 ZINC001010370252 657165688 /nfs/dbraw/zinc/16/56/88/657165688.db2.gz UYOAHEHKMOLGLJ-CHWSQXEVSA-N 2 2 294.399 -0.497 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001010370252 657165698 /nfs/dbraw/zinc/16/56/98/657165698.db2.gz UYOAHEHKMOLGLJ-CHWSQXEVSA-N 2 2 294.399 -0.497 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001010370252 657165708 /nfs/dbraw/zinc/16/57/08/657165708.db2.gz UYOAHEHKMOLGLJ-CHWSQXEVSA-N 2 2 294.399 -0.497 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)/C=C/Cn1cncn1 ZINC000912388878 657249791 /nfs/dbraw/zinc/24/97/91/657249791.db2.gz ZFTPZMSEHYLHBE-GQCTYLIASA-N 2 2 294.403 -0.166 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)/C=C/Cn1cncn1 ZINC000912388878 657249797 /nfs/dbraw/zinc/24/97/97/657249797.db2.gz ZFTPZMSEHYLHBE-GQCTYLIASA-N 2 2 294.403 -0.166 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001014401145 657355545 /nfs/dbraw/zinc/35/55/45/657355545.db2.gz UIYRBZMFZGNUIK-OLZOCXBDSA-N 2 2 296.415 -0.204 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001014401145 657355547 /nfs/dbraw/zinc/35/55/47/657355547.db2.gz UIYRBZMFZGNUIK-OLZOCXBDSA-N 2 2 296.415 -0.204 20 0 CBADLP CNC(=O)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001014401145 657355554 /nfs/dbraw/zinc/35/55/54/657355554.db2.gz UIYRBZMFZGNUIK-OLZOCXBDSA-N 2 2 296.415 -0.204 20 0 CBADLP CNC(=O)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001014401145 657355561 /nfs/dbraw/zinc/35/55/61/657355561.db2.gz UIYRBZMFZGNUIK-OLZOCXBDSA-N 2 2 296.415 -0.204 20 0 CBADLP NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001014462419 657360774 /nfs/dbraw/zinc/36/07/74/657360774.db2.gz DCTDOKSPZPSVKY-RYUDHWBXSA-N 2 2 280.372 -0.996 20 0 CBADLP NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001014462419 657360781 /nfs/dbraw/zinc/36/07/81/657360781.db2.gz DCTDOKSPZPSVKY-RYUDHWBXSA-N 2 2 280.372 -0.996 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001014456265 657361532 /nfs/dbraw/zinc/36/15/32/657361532.db2.gz NSYTUBPYMWBYKZ-STQMWFEESA-N 2 2 294.399 -0.735 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001014456265 657361537 /nfs/dbraw/zinc/36/15/37/657361537.db2.gz NSYTUBPYMWBYKZ-STQMWFEESA-N 2 2 294.399 -0.735 20 0 CBADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CC(=O)NC)C1 ZINC001014636646 657372619 /nfs/dbraw/zinc/37/26/19/657372619.db2.gz ZSAMPOBJFUYPFM-CHWSQXEVSA-N 2 2 296.415 -0.203 20 0 CBADLP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CC(=O)NC)C1 ZINC001014636646 657372622 /nfs/dbraw/zinc/37/26/22/657372622.db2.gz ZSAMPOBJFUYPFM-CHWSQXEVSA-N 2 2 296.415 -0.203 20 0 CBADLP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC(=O)NC)C1 ZINC001014636646 657372628 /nfs/dbraw/zinc/37/26/28/657372628.db2.gz ZSAMPOBJFUYPFM-CHWSQXEVSA-N 2 2 296.415 -0.203 20 0 CBADLP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001014636646 657372632 /nfs/dbraw/zinc/37/26/32/657372632.db2.gz ZSAMPOBJFUYPFM-CHWSQXEVSA-N 2 2 296.415 -0.203 20 0 CBADLP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001014704848 657377754 /nfs/dbraw/zinc/37/77/54/657377754.db2.gz NELHWIAKLVKMBE-CHWSQXEVSA-N 2 2 296.415 -0.360 20 0 CBADLP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001014704848 657377755 /nfs/dbraw/zinc/37/77/55/657377755.db2.gz NELHWIAKLVKMBE-CHWSQXEVSA-N 2 2 296.415 -0.360 20 0 CBADLP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)C1 ZINC001014704848 657377766 /nfs/dbraw/zinc/37/77/66/657377766.db2.gz NELHWIAKLVKMBE-CHWSQXEVSA-N 2 2 296.415 -0.360 20 0 CBADLP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)C1 ZINC001014704848 657377773 /nfs/dbraw/zinc/37/77/73/657377773.db2.gz NELHWIAKLVKMBE-CHWSQXEVSA-N 2 2 296.415 -0.360 20 0 CBADLP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001014704849 657378385 /nfs/dbraw/zinc/37/83/85/657378385.db2.gz NELHWIAKLVKMBE-OLZOCXBDSA-N 2 2 296.415 -0.360 20 0 CBADLP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001014704849 657378389 /nfs/dbraw/zinc/37/83/89/657378389.db2.gz NELHWIAKLVKMBE-OLZOCXBDSA-N 2 2 296.415 -0.360 20 0 CBADLP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)C1 ZINC001014704849 657378397 /nfs/dbraw/zinc/37/83/97/657378397.db2.gz NELHWIAKLVKMBE-OLZOCXBDSA-N 2 2 296.415 -0.360 20 0 CBADLP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)C1 ZINC001014704849 657378401 /nfs/dbraw/zinc/37/84/01/657378401.db2.gz NELHWIAKLVKMBE-OLZOCXBDSA-N 2 2 296.415 -0.360 20 0 CBADLP O=C(N[C@@H]1CC[N@@H+](CCO)C1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001014999557 657396503 /nfs/dbraw/zinc/39/65/03/657396503.db2.gz JSDVTLXMRLQWOJ-VXGBXAGGSA-N 2 2 278.356 -0.372 20 0 CBADLP O=C(N[C@@H]1CC[N@H+](CCO)C1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001014999557 657396507 /nfs/dbraw/zinc/39/65/07/657396507.db2.gz JSDVTLXMRLQWOJ-VXGBXAGGSA-N 2 2 278.356 -0.372 20 0 CBADLP C[C@@H](O)C[N@@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001015028260 657397790 /nfs/dbraw/zinc/39/77/90/657397790.db2.gz OBNNLCCNKSUHKT-GHMZBOCLSA-N 2 2 296.371 -0.079 20 0 CBADLP C[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001015028260 657397797 /nfs/dbraw/zinc/39/77/97/657397797.db2.gz OBNNLCCNKSUHKT-GHMZBOCLSA-N 2 2 296.371 -0.079 20 0 CBADLP C[C@H](O)C[N@@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001015028265 657399032 /nfs/dbraw/zinc/39/90/32/657399032.db2.gz OBNNLCCNKSUHKT-WDEREUQCSA-N 2 2 296.371 -0.079 20 0 CBADLP C[C@H](O)C[N@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001015028265 657399035 /nfs/dbraw/zinc/39/90/35/657399035.db2.gz OBNNLCCNKSUHKT-WDEREUQCSA-N 2 2 296.371 -0.079 20 0 CBADLP Cc1[nH+]ccn1CCCC(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC000913190513 657418776 /nfs/dbraw/zinc/41/87/76/657418776.db2.gz KWNHQBGHBDMNOL-AWEZNQCLSA-N 2 2 296.371 -0.561 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001015288840 657429612 /nfs/dbraw/zinc/42/96/12/657429612.db2.gz GPKBHVWLTAJQGC-NWDGAFQWSA-N 2 2 293.371 -0.483 20 0 CBADLP CNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001015288840 657429627 /nfs/dbraw/zinc/42/96/27/657429627.db2.gz GPKBHVWLTAJQGC-NWDGAFQWSA-N 2 2 293.371 -0.483 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001015296168 657431828 /nfs/dbraw/zinc/43/18/28/657431828.db2.gz VPXGQAZOSYCWBC-VXGBXAGGSA-N 2 2 291.355 -0.729 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001015296168 657431842 /nfs/dbraw/zinc/43/18/42/657431842.db2.gz VPXGQAZOSYCWBC-VXGBXAGGSA-N 2 2 291.355 -0.729 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001015497116 657446749 /nfs/dbraw/zinc/44/67/49/657446749.db2.gz AIGIHGSTZRGRCI-VXGBXAGGSA-N 2 2 296.415 -0.075 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001015497116 657446759 /nfs/dbraw/zinc/44/67/59/657446759.db2.gz AIGIHGSTZRGRCI-VXGBXAGGSA-N 2 2 296.415 -0.075 20 0 CBADLP Cn1cc([C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)CC[NH2+]2)cn1 ZINC000913460636 657457917 /nfs/dbraw/zinc/45/79/17/657457917.db2.gz LSISUOPPYIWMEZ-YPMHNXCESA-N 2 2 277.372 -0.155 20 0 CBADLP Cn1cc([C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC[NH2+]2)cn1 ZINC000913460636 657457923 /nfs/dbraw/zinc/45/79/23/657457923.db2.gz LSISUOPPYIWMEZ-YPMHNXCESA-N 2 2 277.372 -0.155 20 0 CBADLP Cn1cc([C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)CC[NH2+]2)cn1 ZINC000913460633 657459349 /nfs/dbraw/zinc/45/93/49/657459349.db2.gz LSISUOPPYIWMEZ-AAEUAGOBSA-N 2 2 277.372 -0.155 20 0 CBADLP Cn1cc([C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)CC[NH2+]2)cn1 ZINC000913460633 657459350 /nfs/dbraw/zinc/45/93/50/657459350.db2.gz LSISUOPPYIWMEZ-AAEUAGOBSA-N 2 2 277.372 -0.155 20 0 CBADLP C[C@H]1C[C@@H](C(=O)N[C@@H]2CC[NH+](CC(N)=O)C2)CC[N@@H+]1C ZINC001015607258 657474721 /nfs/dbraw/zinc/47/47/21/657474721.db2.gz JARUDCHFZAEVDV-SDDRHHMPSA-N 2 2 282.388 -0.608 20 0 CBADLP C[C@H]1C[C@@H](C(=O)N[C@@H]2CC[NH+](CC(N)=O)C2)CC[N@H+]1C ZINC001015607258 657474738 /nfs/dbraw/zinc/47/47/38/657474738.db2.gz JARUDCHFZAEVDV-SDDRHHMPSA-N 2 2 282.388 -0.608 20 0 CBADLP C[C@H]1C[C@@H](C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)CC[NH+]1C ZINC001015607258 657474748 /nfs/dbraw/zinc/47/47/48/657474748.db2.gz JARUDCHFZAEVDV-SDDRHHMPSA-N 2 2 282.388 -0.608 20 0 CBADLP C[C@H]1C[C@@H](C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)CC[NH+]1C ZINC001015607258 657474757 /nfs/dbraw/zinc/47/47/57/657474757.db2.gz JARUDCHFZAEVDV-SDDRHHMPSA-N 2 2 282.388 -0.608 20 0 CBADLP CN(C[C@@H]1C[N@H+](C)CCO1)C(=O)[C@@]1(C)C[C@H](O)C[NH+]1C ZINC000913508029 657481659 /nfs/dbraw/zinc/48/16/59/657481659.db2.gz UJHLMARZVHSLNC-SGMGOOAPSA-N 2 2 285.388 -0.770 20 0 CBADLP CN(C[C@@H]1C[N@@H+](C)CCO1)C(=O)[C@@]1(C)C[C@H](O)C[NH+]1C ZINC000913508029 657481667 /nfs/dbraw/zinc/48/16/67/657481667.db2.gz UJHLMARZVHSLNC-SGMGOOAPSA-N 2 2 285.388 -0.770 20 0 CBADLP CN(C[C@@H]1C[NH+](C)CCO1)C(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000913508029 657481682 /nfs/dbraw/zinc/48/16/82/657481682.db2.gz UJHLMARZVHSLNC-SGMGOOAPSA-N 2 2 285.388 -0.770 20 0 CBADLP CN(C[C@@H]1C[NH+](C)CCO1)C(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC000913508029 657481698 /nfs/dbraw/zinc/48/16/98/657481698.db2.gz UJHLMARZVHSLNC-SGMGOOAPSA-N 2 2 285.388 -0.770 20 0 CBADLP C[NH+](C)CC1(C(=O)N2CC[N@H+](C)[C@H](CO)C2)CC1 ZINC000913541994 657505290 /nfs/dbraw/zinc/50/52/90/657505290.db2.gz ZTNIJLKDWWMQET-NSHDSACASA-N 2 2 255.362 -0.537 20 0 CBADLP C[NH+](C)CC1(C(=O)N2CC[N@@H+](C)[C@H](CO)C2)CC1 ZINC000913541994 657505295 /nfs/dbraw/zinc/50/52/95/657505295.db2.gz ZTNIJLKDWWMQET-NSHDSACASA-N 2 2 255.362 -0.537 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000913542170 657506709 /nfs/dbraw/zinc/50/67/09/657506709.db2.gz DQMIBXJWOJQDEN-NSHDSACASA-N 2 2 252.318 -0.674 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000913542170 657506720 /nfs/dbraw/zinc/50/67/20/657506720.db2.gz DQMIBXJWOJQDEN-NSHDSACASA-N 2 2 252.318 -0.674 20 0 CBADLP C[N@@H+]1CCN(C(=O)[C@H]2CCC[NH+]2C2CC2)C[C@@H]1CO ZINC000913543664 657518791 /nfs/dbraw/zinc/51/87/91/657518791.db2.gz NICLJWUTZHARQZ-CHWSQXEVSA-N 2 2 267.373 -0.252 20 0 CBADLP C[N@H+]1CCN(C(=O)[C@H]2CCC[NH+]2C2CC2)C[C@@H]1CO ZINC000913543664 657518802 /nfs/dbraw/zinc/51/88/02/657518802.db2.gz NICLJWUTZHARQZ-CHWSQXEVSA-N 2 2 267.373 -0.252 20 0 CBADLP C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CC2)C[C@@H]1CO ZINC000913543664 657518813 /nfs/dbraw/zinc/51/88/13/657518813.db2.gz NICLJWUTZHARQZ-CHWSQXEVSA-N 2 2 267.373 -0.252 20 0 CBADLP C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CC2)C[C@@H]1CO ZINC000913543664 657518818 /nfs/dbraw/zinc/51/88/18/657518818.db2.gz NICLJWUTZHARQZ-CHWSQXEVSA-N 2 2 267.373 -0.252 20 0 CBADLP C[C@H]1C[C@@H](C(=O)N2CC[NH+](C)[C@@H](CO)C2)CC[N@@H+]1C ZINC000913545136 657521789 /nfs/dbraw/zinc/52/17/89/657521789.db2.gz VFERHQJQVGATQD-RWMBFGLXSA-N 2 2 269.389 -0.148 20 0 CBADLP C[C@H]1C[C@@H](C(=O)N2CC[NH+](C)[C@@H](CO)C2)CC[N@H+]1C ZINC000913545136 657521792 /nfs/dbraw/zinc/52/17/92/657521792.db2.gz VFERHQJQVGATQD-RWMBFGLXSA-N 2 2 269.389 -0.148 20 0 CBADLP C[C@H]1C[C@@H](C(=O)N2CC[N@H+](C)[C@@H](CO)C2)CC[NH+]1C ZINC000913545136 657521797 /nfs/dbraw/zinc/52/17/97/657521797.db2.gz VFERHQJQVGATQD-RWMBFGLXSA-N 2 2 269.389 -0.148 20 0 CBADLP C[C@H]1C[C@@H](C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)CC[NH+]1C ZINC000913545136 657521804 /nfs/dbraw/zinc/52/18/04/657521804.db2.gz VFERHQJQVGATQD-RWMBFGLXSA-N 2 2 269.389 -0.148 20 0 CBADLP C[N@H+](CC(=O)N1CC[NH+](C)[C@@H](CO)C1)[C@@H]1CCSC1 ZINC000913547857 657528787 /nfs/dbraw/zinc/52/87/87/657528787.db2.gz XZPRNXBQYWKUJU-VXGBXAGGSA-N 2 2 287.429 -0.441 20 0 CBADLP C[N@@H+](CC(=O)N1CC[NH+](C)[C@@H](CO)C1)[C@@H]1CCSC1 ZINC000913547857 657528796 /nfs/dbraw/zinc/52/87/96/657528796.db2.gz XZPRNXBQYWKUJU-VXGBXAGGSA-N 2 2 287.429 -0.441 20 0 CBADLP C[NH+](CC(=O)N1CC[N@H+](C)[C@@H](CO)C1)[C@@H]1CCSC1 ZINC000913547857 657528801 /nfs/dbraw/zinc/52/88/01/657528801.db2.gz XZPRNXBQYWKUJU-VXGBXAGGSA-N 2 2 287.429 -0.441 20 0 CBADLP C[NH+](CC(=O)N1CC[N@@H+](C)[C@@H](CO)C1)[C@@H]1CCSC1 ZINC000913547857 657528806 /nfs/dbraw/zinc/52/88/06/657528806.db2.gz XZPRNXBQYWKUJU-VXGBXAGGSA-N 2 2 287.429 -0.441 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000913547728 657529136 /nfs/dbraw/zinc/52/91/36/657529136.db2.gz UZUKLYGHAGEXFW-QWHCGFSZSA-N 2 2 285.388 -0.910 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000913547728 657529144 /nfs/dbraw/zinc/52/91/44/657529144.db2.gz UZUKLYGHAGEXFW-QWHCGFSZSA-N 2 2 285.388 -0.910 20 0 CBADLP CCC[C@H](C(=O)N1CC[N@H+](C)[C@H](CO)C1)[NH+](C)C ZINC000913547621 657529304 /nfs/dbraw/zinc/52/93/04/657529304.db2.gz SHCBDMZJJQBIIH-NWDGAFQWSA-N 2 2 257.378 -0.148 20 0 CBADLP CCC[C@H](C(=O)N1CC[N@@H+](C)[C@H](CO)C1)[NH+](C)C ZINC000913547621 657529311 /nfs/dbraw/zinc/52/93/11/657529311.db2.gz SHCBDMZJJQBIIH-NWDGAFQWSA-N 2 2 257.378 -0.148 20 0 CBADLP C[C@H]1C[N@H+](C)C[C@@H](C(=O)NC23CC[NH+](CC2)C3)O1 ZINC000913636422 657573390 /nfs/dbraw/zinc/57/33/90/657573390.db2.gz FUUNJUVQDKFOPC-QWRGUYRKSA-N 2 2 253.346 -0.330 20 0 CBADLP C[C@H]1C[N@@H+](C)C[C@@H](C(=O)NC23CC[NH+](CC2)C3)O1 ZINC000913636422 657573416 /nfs/dbraw/zinc/57/34/16/657573416.db2.gz FUUNJUVQDKFOPC-QWRGUYRKSA-N 2 2 253.346 -0.330 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001015901198 657599341 /nfs/dbraw/zinc/59/93/41/657599341.db2.gz ZULUFCDUXHJKLN-STQMWFEESA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001015901198 657599344 /nfs/dbraw/zinc/59/93/44/657599344.db2.gz ZULUFCDUXHJKLN-STQMWFEESA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@@H](CNC(=O)NC[C@H]1CC[N@@H+]1C)[NH+]1CCOCC1 ZINC000914067527 657653298 /nfs/dbraw/zinc/65/32/98/657653298.db2.gz VEUIOXUVTCIMKW-NWDGAFQWSA-N 2 2 270.377 -0.290 20 0 CBADLP C[C@@H](CNC(=O)NC[C@H]1CC[N@H+]1C)[NH+]1CCOCC1 ZINC000914067527 657653308 /nfs/dbraw/zinc/65/33/08/657653308.db2.gz VEUIOXUVTCIMKW-NWDGAFQWSA-N 2 2 270.377 -0.290 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001016250707 657669945 /nfs/dbraw/zinc/66/99/45/657669945.db2.gz FPILYEFTXFJWFL-RYUDHWBXSA-N 2 2 282.388 -0.463 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001016250707 657669957 /nfs/dbraw/zinc/66/99/57/657669957.db2.gz FPILYEFTXFJWFL-RYUDHWBXSA-N 2 2 282.388 -0.463 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001016252833 657670392 /nfs/dbraw/zinc/67/03/92/657670392.db2.gz VEBUBVTXHJMYNH-VXGBXAGGSA-N 2 2 282.388 -0.593 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001016252833 657670398 /nfs/dbraw/zinc/67/03/98/657670398.db2.gz VEBUBVTXHJMYNH-VXGBXAGGSA-N 2 2 282.388 -0.593 20 0 CBADLP O=C(C[NH+]1CCCC1)N[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001016250786 657671185 /nfs/dbraw/zinc/67/11/85/657671185.db2.gz GYNFEZJTPQBGBJ-CYBMUJFWSA-N 2 2 294.399 -0.449 20 0 CBADLP O=C(C[NH+]1CCCC1)N[C@@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001016250786 657671193 /nfs/dbraw/zinc/67/11/93/657671193.db2.gz GYNFEZJTPQBGBJ-CYBMUJFWSA-N 2 2 294.399 -0.449 20 0 CBADLP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CC[NH+](CC(=O)NC3CC3)C2)C1 ZINC001016253450 657672332 /nfs/dbraw/zinc/67/23/32/657672332.db2.gz GAZXKKBAAPNGJN-WCQYABFASA-N 2 2 294.399 -0.593 20 0 CBADLP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CC[NH+](CC(=O)NC3CC3)C2)C1 ZINC001016253450 657672338 /nfs/dbraw/zinc/67/23/38/657672338.db2.gz GAZXKKBAAPNGJN-WCQYABFASA-N 2 2 294.399 -0.593 20 0 CBADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2CC[N@H+](CC(=O)NC3CC3)C2)C1 ZINC001016253450 657672343 /nfs/dbraw/zinc/67/23/43/657672343.db2.gz GAZXKKBAAPNGJN-WCQYABFASA-N 2 2 294.399 -0.593 20 0 CBADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC3CC3)C2)C1 ZINC001016253450 657672354 /nfs/dbraw/zinc/67/23/54/657672354.db2.gz GAZXKKBAAPNGJN-WCQYABFASA-N 2 2 294.399 -0.593 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001016260991 657673234 /nfs/dbraw/zinc/67/32/34/657673234.db2.gz TVDQDPZHGPPJGB-CMPLNLGQSA-N 2 2 293.371 -0.483 20 0 CBADLP CNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001016260991 657673244 /nfs/dbraw/zinc/67/32/44/657673244.db2.gz TVDQDPZHGPPJGB-CMPLNLGQSA-N 2 2 293.371 -0.483 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001016260161 657674262 /nfs/dbraw/zinc/67/42/62/657674262.db2.gz NCAFTAXCOUKCNM-MWLCHTKSSA-N 2 2 279.344 -0.744 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001016260161 657674269 /nfs/dbraw/zinc/67/42/69/657674269.db2.gz NCAFTAXCOUKCNM-MWLCHTKSSA-N 2 2 279.344 -0.744 20 0 CBADLP O=C(C[NH+]1CCCC1)N[C@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001016258024 657674780 /nfs/dbraw/zinc/67/47/80/657674780.db2.gz BXAGGVZMKHCWHU-ZDUSSCGKSA-N 2 2 294.399 -0.495 20 0 CBADLP O=C(C[NH+]1CCCC1)N[C@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001016258024 657674791 /nfs/dbraw/zinc/67/47/91/657674791.db2.gz BXAGGVZMKHCWHU-ZDUSSCGKSA-N 2 2 294.399 -0.495 20 0 CBADLP Cn1nncc1C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001016254735 657675558 /nfs/dbraw/zinc/67/55/58/657675558.db2.gz KELIOZSCNYYZOH-VXGBXAGGSA-N 2 2 292.387 -0.543 20 0 CBADLP Cn1nncc1C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001016254735 657675567 /nfs/dbraw/zinc/67/55/67/657675567.db2.gz KELIOZSCNYYZOH-VXGBXAGGSA-N 2 2 292.387 -0.543 20 0 CBADLP Cn1nncc1C[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001016254735 657675574 /nfs/dbraw/zinc/67/55/74/657675574.db2.gz KELIOZSCNYYZOH-VXGBXAGGSA-N 2 2 292.387 -0.543 20 0 CBADLP Cn1nncc1C[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001016254735 657675583 /nfs/dbraw/zinc/67/55/83/657675583.db2.gz KELIOZSCNYYZOH-VXGBXAGGSA-N 2 2 292.387 -0.543 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC001016397322 657698652 /nfs/dbraw/zinc/69/86/52/657698652.db2.gz JRUYWZWRFDWALM-NWDGAFQWSA-N 2 2 291.355 -0.648 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001016397322 657698667 /nfs/dbraw/zinc/69/86/67/657698667.db2.gz JRUYWZWRFDWALM-NWDGAFQWSA-N 2 2 291.355 -0.648 20 0 CBADLP C[C@H](O)C[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001016398497 657700410 /nfs/dbraw/zinc/70/04/10/657700410.db2.gz SRIMUBMZYYWLFR-WDEREUQCSA-N 2 2 252.318 -0.546 20 0 CBADLP C[C@H](O)C[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001016398497 657700433 /nfs/dbraw/zinc/70/04/33/657700433.db2.gz SRIMUBMZYYWLFR-WDEREUQCSA-N 2 2 252.318 -0.546 20 0 CBADLP COCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](C)CCO1 ZINC001017441989 657761415 /nfs/dbraw/zinc/76/14/15/657761415.db2.gz SYPUNNVONDGUFM-HZSPNIEDSA-N 2 2 297.399 -0.361 20 0 CBADLP COCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](C)CCO1 ZINC001017441989 657761422 /nfs/dbraw/zinc/76/14/22/657761422.db2.gz SYPUNNVONDGUFM-HZSPNIEDSA-N 2 2 297.399 -0.361 20 0 CBADLP COCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001017441989 657761432 /nfs/dbraw/zinc/76/14/32/657761432.db2.gz SYPUNNVONDGUFM-HZSPNIEDSA-N 2 2 297.399 -0.361 20 0 CBADLP COCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001017441989 657761439 /nfs/dbraw/zinc/76/14/39/657761439.db2.gz SYPUNNVONDGUFM-HZSPNIEDSA-N 2 2 297.399 -0.361 20 0 CBADLP C[NH+](C)C1(CNC(=O)NC[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000916883995 657792339 /nfs/dbraw/zinc/79/23/39/657792339.db2.gz SITXUKAKLMOMCH-LLVKDONJSA-N 2 2 270.377 -0.290 20 0 CBADLP C[NH+](C)C1(CNC(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000916883995 657792355 /nfs/dbraw/zinc/79/23/55/657792355.db2.gz SITXUKAKLMOMCH-LLVKDONJSA-N 2 2 270.377 -0.290 20 0 CBADLP C[C@@H]([NH2+][C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1)C(N)=O ZINC001018950047 657854755 /nfs/dbraw/zinc/85/47/55/657854755.db2.gz VLFKZAHDQVUOPN-KOLCDFICSA-N 2 2 279.344 -0.593 20 0 CBADLP C[C@@H]([NH2+][C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1)C(N)=O ZINC001018950047 657854757 /nfs/dbraw/zinc/85/47/57/657854757.db2.gz VLFKZAHDQVUOPN-KOLCDFICSA-N 2 2 279.344 -0.593 20 0 CBADLP CC[C@@H]([NH2+][C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1)C(N)=O ZINC001018949350 657855192 /nfs/dbraw/zinc/85/51/92/657855192.db2.gz DRRLFLHYWIHZIM-NWDGAFQWSA-N 2 2 293.371 -0.203 20 0 CBADLP CC[C@@H]([NH2+][C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1)C(N)=O ZINC001018949350 657855191 /nfs/dbraw/zinc/85/51/91/657855191.db2.gz DRRLFLHYWIHZIM-NWDGAFQWSA-N 2 2 293.371 -0.203 20 0 CBADLP NC(=O)C[NH2+][C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001019139683 657866472 /nfs/dbraw/zinc/86/64/72/657866472.db2.gz PGBZTCXZFYJIKG-JTQLQIEISA-N 2 2 287.323 -0.376 20 0 CBADLP NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001019365838 657889797 /nfs/dbraw/zinc/88/97/97/657889797.db2.gz TYMGGCUNNIXGDD-VHSXEESVSA-N 2 2 291.355 -0.495 20 0 CBADLP C[NH+](C)C1(CS(=O)(=O)NC[C@@H]2CC[N@@H+]2C)CC1 ZINC000921412689 657899210 /nfs/dbraw/zinc/89/92/10/657899210.db2.gz SWWFJUAHAOTYLX-JTQLQIEISA-N 2 2 261.391 -0.296 20 0 CBADLP C[NH+](C)C1(CS(=O)(=O)NC[C@@H]2CC[N@H+]2C)CC1 ZINC000921412689 657899212 /nfs/dbraw/zinc/89/92/12/657899212.db2.gz SWWFJUAHAOTYLX-JTQLQIEISA-N 2 2 261.391 -0.296 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+]Cc2cnn(CCF)c2)CC1 ZINC000921607750 657921511 /nfs/dbraw/zinc/92/15/11/657921511.db2.gz AZJDUJNAVXQXQG-UHFFFAOYSA-N 2 2 283.351 -0.284 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001019655335 657926161 /nfs/dbraw/zinc/92/61/61/657926161.db2.gz OPBAIIIRXHZLAL-JQWIXIFHSA-N 2 2 291.355 -0.958 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001019655334 657927337 /nfs/dbraw/zinc/92/73/37/657927337.db2.gz OPBAIIIRXHZLAL-CMPLNLGQSA-N 2 2 291.355 -0.958 20 0 CBADLP CC[C@H]([NH2+][C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1)C(N)=O ZINC001019708515 657931225 /nfs/dbraw/zinc/93/12/25/657931225.db2.gz LBMWYCXIMAWKKK-QWRGUYRKSA-N 2 2 293.371 -0.285 20 0 CBADLP C[C@H]([NH2+][C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1)C(N)=O ZINC001019721300 657933062 /nfs/dbraw/zinc/93/30/62/657933062.db2.gz KHKFUWUKQHZYGO-QWRGUYRKSA-N 2 2 293.371 -0.583 20 0 CBADLP CN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)C1=O ZINC001019867806 657953787 /nfs/dbraw/zinc/95/37/87/657953787.db2.gz LIAAHMFUJQUZBR-NWDGAFQWSA-N 2 2 291.355 -0.696 20 0 CBADLP CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@H](OC)C[NH+]1C ZINC000922159529 658011360 /nfs/dbraw/zinc/01/13/60/658011360.db2.gz ONFMKEIWFUDQSM-SRVKXCTJSA-N 2 2 255.362 -0.084 20 0 CBADLP CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@H](OC)C[NH+]1C ZINC000922159529 658011370 /nfs/dbraw/zinc/01/13/70/658011370.db2.gz ONFMKEIWFUDQSM-SRVKXCTJSA-N 2 2 255.362 -0.084 20 0 CBADLP CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1C[C@H](OC)C[N@@H+]1C ZINC000922159529 658011379 /nfs/dbraw/zinc/01/13/79/658011379.db2.gz ONFMKEIWFUDQSM-SRVKXCTJSA-N 2 2 255.362 -0.084 20 0 CBADLP CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1C[C@H](OC)C[N@H+]1C ZINC000922159529 658011397 /nfs/dbraw/zinc/01/13/97/658011397.db2.gz ONFMKEIWFUDQSM-SRVKXCTJSA-N 2 2 255.362 -0.084 20 0 CBADLP O=C(N[C@H]1C[C@H]([NH2+]CCO)C1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001020314862 658037586 /nfs/dbraw/zinc/03/75/86/658037586.db2.gz WUDLTXCZOXYYNC-IJLUTSLNSA-N 2 2 278.356 -0.325 20 0 CBADLP CN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)C1=O ZINC001020633644 658082053 /nfs/dbraw/zinc/08/20/53/658082053.db2.gz UVQBLGNSXNTORZ-CKYFFXLPSA-N 2 2 291.355 -0.580 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001020816866 658093399 /nfs/dbraw/zinc/09/33/99/658093399.db2.gz PHGPEQAEEXJASC-DCAQKATOSA-N 2 2 291.355 -0.532 20 0 CBADLP Cn1nnc(C[NH2+][C@H]2C[C@H](NC(=O)C[NH+]3CCCC3)C2)n1 ZINC001021051932 658141852 /nfs/dbraw/zinc/14/18/52/658141852.db2.gz RAUIKDSZBRUAPI-XYPYZODXSA-N 2 2 293.375 -0.957 20 0 CBADLP Cn1nncc1C[NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001021126806 658154048 /nfs/dbraw/zinc/15/40/48/658154048.db2.gz XIWITGFGCFUNJT-XYPYZODXSA-N 2 2 289.343 -0.551 20 0 CBADLP CN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)Cn3cc[nH+]c3)C2)C1=O ZINC001021128701 658155306 /nfs/dbraw/zinc/15/53/06/658155306.db2.gz PQQQLMPVZKWIAQ-IJLUTSLNSA-N 2 2 291.355 -0.649 20 0 CBADLP [NH3+][C@@H]1CCC[N@H+](C[C@H](O)COC[C@H]2CCCO2)C1 ZINC000923282503 658190517 /nfs/dbraw/zinc/19/05/17/658190517.db2.gz STOWHEYKZFIKJF-FRRDWIJNSA-N 2 2 258.362 -0.034 20 0 CBADLP [NH3+][C@@H]1CCC[N@@H+](C[C@H](O)COC[C@H]2CCCO2)C1 ZINC000923282503 658190559 /nfs/dbraw/zinc/19/05/59/658190559.db2.gz STOWHEYKZFIKJF-FRRDWIJNSA-N 2 2 258.362 -0.034 20 0 CBADLP [NH3+]C[C@@H]1CCC[N@@H+]1C[C@H](O)COC[C@@H]1CCCO1 ZINC000923291610 658195324 /nfs/dbraw/zinc/19/53/24/658195324.db2.gz DRVRNLICTDMSKX-AVGNSLFASA-N 2 2 258.362 -0.034 20 0 CBADLP [NH3+]C[C@@H]1CCC[N@H+]1C[C@H](O)COC[C@@H]1CCCO1 ZINC000923291610 658195331 /nfs/dbraw/zinc/19/53/31/658195331.db2.gz DRVRNLICTDMSKX-AVGNSLFASA-N 2 2 258.362 -0.034 20 0 CBADLP C[N@H+](CCS(C)(=O)=O)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923302985 658198068 /nfs/dbraw/zinc/19/80/68/658198068.db2.gz GGTBKKFVZITIRT-SNVBAGLBSA-N 2 2 262.375 -0.659 20 0 CBADLP C[N@@H+](CCS(C)(=O)=O)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923302985 658198083 /nfs/dbraw/zinc/19/80/83/658198083.db2.gz GGTBKKFVZITIRT-SNVBAGLBSA-N 2 2 262.375 -0.659 20 0 CBADLP [NH3+][C@@H]1C[C@H](O)[C@@H]([NH+]2CCN(c3cccnn3)CC2)C1 ZINC000923323531 658208848 /nfs/dbraw/zinc/20/88/48/658208848.db2.gz ILOKKTDDKJFTGY-SRVKXCTJSA-N 2 2 263.345 -0.551 20 0 CBADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](CCO[C@@H]2CCOC2)C1 ZINC000923333697 658216122 /nfs/dbraw/zinc/21/61/22/658216122.db2.gz RRTLMVKDJGUTQV-UONOGXRCSA-N 2 2 297.399 -0.312 20 0 CBADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](CCO[C@@H]2CCOC2)C1 ZINC000923333697 658216155 /nfs/dbraw/zinc/21/61/55/658216155.db2.gz RRTLMVKDJGUTQV-UONOGXRCSA-N 2 2 297.399 -0.312 20 0 CBADLP CCn1ccnc1CN1CC[NH+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC000923325967 658216845 /nfs/dbraw/zinc/21/68/45/658216845.db2.gz DEOYJNFRILYUHW-IHRRRGAJSA-N 2 2 293.415 -0.129 20 0 CBADLP CN1CC(=O)N(CC[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)C1=O ZINC000923359743 658227755 /nfs/dbraw/zinc/22/77/55/658227755.db2.gz UHLXOJARWPWJHD-GHMZBOCLSA-N 2 2 266.345 -0.436 20 0 CBADLP CN1CC(=O)N(CC[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)C1=O ZINC000923359743 658227765 /nfs/dbraw/zinc/22/77/65/658227765.db2.gz UHLXOJARWPWJHD-GHMZBOCLSA-N 2 2 266.345 -0.436 20 0 CBADLP CC(C)OCC[C@H](O)C[N@H+]1CCC[C@]([NH3+])(CO)C1 ZINC000923472004 658296362 /nfs/dbraw/zinc/29/63/62/658296362.db2.gz MIRFXKNRSDBFBG-QWHCGFSZSA-N 2 2 260.378 -0.052 20 0 CBADLP COC(=O)C[C@H]1C[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC000923373765 658240882 /nfs/dbraw/zinc/24/08/82/658240882.db2.gz QZJMWKWFMOXUFA-RYUDHWBXSA-N 2 2 284.356 -0.371 20 0 CBADLP COC(=O)C[C@H]1C[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC000923373765 658240907 /nfs/dbraw/zinc/24/09/07/658240907.db2.gz QZJMWKWFMOXUFA-RYUDHWBXSA-N 2 2 284.356 -0.371 20 0 CBADLP CC[N@H+](CCS(C)(=O)=O)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923370958 658241270 /nfs/dbraw/zinc/24/12/70/658241270.db2.gz MHWCUESBJHDLBZ-NSHDSACASA-N 2 2 276.402 -0.269 20 0 CBADLP CC[N@@H+](CCS(C)(=O)=O)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923370958 658241284 /nfs/dbraw/zinc/24/12/84/658241284.db2.gz MHWCUESBJHDLBZ-NSHDSACASA-N 2 2 276.402 -0.269 20 0 CBADLP CO[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)[C@@](C)(C[NH3+])C1 ZINC000923412624 658271724 /nfs/dbraw/zinc/27/17/24/658271724.db2.gz RUKGNYDRAHJCMC-FRRDWIJNSA-N 2 2 268.361 -0.318 20 0 CBADLP CO[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)[C@@](C)(C[NH3+])C1 ZINC000923412624 658271732 /nfs/dbraw/zinc/27/17/32/658271732.db2.gz RUKGNYDRAHJCMC-FRRDWIJNSA-N 2 2 268.361 -0.318 20 0 CBADLP [NH3+]C[C@H]1CCC[N@@H+]1C[C@@H](O)COC[C@H]1CCCO1 ZINC000923426437 658273364 /nfs/dbraw/zinc/27/33/64/658273364.db2.gz DRVRNLICTDMSKX-JHJVBQTASA-N 2 2 258.362 -0.034 20 0 CBADLP [NH3+]C[C@H]1CCC[N@H+]1C[C@@H](O)COC[C@H]1CCCO1 ZINC000923426437 658273380 /nfs/dbraw/zinc/27/33/80/658273380.db2.gz DRVRNLICTDMSKX-JHJVBQTASA-N 2 2 258.362 -0.034 20 0 CBADLP C[C@@H]1CN[C@@H](C)[C@@H](C)[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000923436951 658279423 /nfs/dbraw/zinc/27/94/23/658279423.db2.gz QWFFSYWYFWKUCC-FRRDWIJNSA-N 2 2 268.405 -0.121 20 0 CBADLP C[C@@H]1CN[C@@H](C)[C@@H](C)[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000923436951 658279439 /nfs/dbraw/zinc/27/94/39/658279439.db2.gz QWFFSYWYFWKUCC-FRRDWIJNSA-N 2 2 268.405 -0.121 20 0 CBADLP O=S(=O)(C1C[NH+](C[C@@H]2C[C@H]3C[C@H]3C2)C1)N1CC[NH2+]CC1 ZINC000923437590 658280728 /nfs/dbraw/zinc/28/07/28/658280728.db2.gz UYYDPHBCNTZNJR-CLLJXQQHSA-N 2 2 299.440 -0.048 20 0 CBADLP Cn1c[nH+]cc1CCCN1CC[NH2+]CC[NH2+]CC1 ZINC000923461206 658290482 /nfs/dbraw/zinc/29/04/82/658290482.db2.gz ULDPWQNXZRTZGY-UHFFFAOYSA-N 3 2 251.378 -0.153 20 0 CBADLP COCCOCCOCCCN1CC[NH2+]CC[NH2+]CC1 ZINC000923460720 658294340 /nfs/dbraw/zinc/29/43/40/658294340.db2.gz PQNHQXCVJHZHCE-UHFFFAOYSA-N 2 2 289.420 -0.449 20 0 CBADLP COCCOCCOCCC[N@@H+]1CCNCC[NH2+]CC1 ZINC000923460720 658294358 /nfs/dbraw/zinc/29/43/58/658294358.db2.gz PQNHQXCVJHZHCE-UHFFFAOYSA-N 2 2 289.420 -0.449 20 0 CBADLP COCCOCCOCCC[N@H+]1CCNCC[NH2+]CC1 ZINC000923460720 658294386 /nfs/dbraw/zinc/29/43/86/658294386.db2.gz PQNHQXCVJHZHCE-UHFFFAOYSA-N 2 2 289.420 -0.449 20 0 CBADLP CC(C)OCC[C@H](O)C[N@@H+]1CCC[C@]([NH3+])(CO)C1 ZINC000923472004 658296348 /nfs/dbraw/zinc/29/63/48/658296348.db2.gz MIRFXKNRSDBFBG-QWHCGFSZSA-N 2 2 260.378 -0.052 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923491492 658306866 /nfs/dbraw/zinc/30/68/66/658306866.db2.gz IERXAUYEFCFYLF-MCIONIFRSA-N 3 2 273.421 -0.158 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923491492 658306879 /nfs/dbraw/zinc/30/68/79/658306879.db2.gz IERXAUYEFCFYLF-MCIONIFRSA-N 3 2 273.421 -0.158 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923491492 658306892 /nfs/dbraw/zinc/30/68/92/658306892.db2.gz IERXAUYEFCFYLF-MCIONIFRSA-N 3 2 273.421 -0.158 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923491492 658306902 /nfs/dbraw/zinc/30/69/02/658306902.db2.gz IERXAUYEFCFYLF-MCIONIFRSA-N 3 2 273.421 -0.158 20 0 CBADLP O=S(=O)(C1C[NH2+]C1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000923626573 658361687 /nfs/dbraw/zinc/36/16/87/658361687.db2.gz VZCLLPCSHCYWEA-VIFPVBQESA-N 2 2 270.358 -0.109 20 0 CBADLP O=S(=O)(NC[C@H]1CC[NH2+]CC1(F)F)[C@H]1CCC[NH2+]C1 ZINC000923645134 658373107 /nfs/dbraw/zinc/37/31/07/658373107.db2.gz KZPPLGASKDJCNG-ZJUUUORDSA-N 2 2 297.371 -0.097 20 0 CBADLP O=S(=O)(NC[C@@H]1CC[NH2+]CC1(F)F)[C@@H]1CCC[NH2+]C1 ZINC000923645133 658373534 /nfs/dbraw/zinc/37/35/34/658373534.db2.gz KZPPLGASKDJCNG-VHSXEESVSA-N 2 2 297.371 -0.097 20 0 CBADLP C[NH+](C)C[C@H]1NC(=O)N(CCC[NH+]2CCOCC2)C1=O ZINC000924430111 658598554 /nfs/dbraw/zinc/59/85/54/658598554.db2.gz IOTQYEKADBMALS-LLVKDONJSA-N 2 2 284.360 -0.809 20 0 CBADLP C[C@H]([C@@H](C)[NH+]1CCOCC1)N1C(=O)N[C@H](C[NH+](C)C)C1=O ZINC000924596335 658617963 /nfs/dbraw/zinc/61/79/63/658617963.db2.gz YHQNCMYCEOUAIT-IJLUTSLNSA-N 2 2 298.387 -0.422 20 0 CBADLP CC1(C)CNC(=O)[C@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000924758447 658635846 /nfs/dbraw/zinc/63/58/46/658635846.db2.gz VPMBYSSVRQYOTG-GHMZBOCLSA-N 2 2 255.362 -0.443 20 0 CBADLP CC1(C)CNC(=O)[C@@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000924758452 658636533 /nfs/dbraw/zinc/63/65/33/658636533.db2.gz VPMBYSSVRQYOTG-MNOVXSKESA-N 2 2 255.362 -0.443 20 0 CBADLP CCON1CCC([NH2+]CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000924841606 658643930 /nfs/dbraw/zinc/64/39/30/658643930.db2.gz KMINQWNOQWRMNE-UHFFFAOYSA-N 2 2 284.404 -0.234 20 0 CBADLP O=C(N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21)[C@H]1CCn2c[nH+]cc2C1 ZINC000960629150 658805378 /nfs/dbraw/zinc/80/53/78/658805378.db2.gz IEZLAEBDLSTNGU-SCUASFONSA-N 2 2 290.367 -0.516 20 0 CBADLP O=C(N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21)[C@H]1CCn2c[nH+]cc2C1 ZINC000960629150 658805383 /nfs/dbraw/zinc/80/53/83/658805383.db2.gz IEZLAEBDLSTNGU-SCUASFONSA-N 2 2 290.367 -0.516 20 0 CBADLP C[N@@H+]1CCC[C@@H]1CN1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000925290674 658816740 /nfs/dbraw/zinc/81/67/40/658816740.db2.gz FUPFLYGJZSINKC-MNOVXSKESA-N 2 2 277.328 -0.033 20 0 CBADLP C[N@H+]1CCC[C@@H]1CN1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000925290674 658816743 /nfs/dbraw/zinc/81/67/43/658816743.db2.gz FUPFLYGJZSINKC-MNOVXSKESA-N 2 2 277.328 -0.033 20 0 CBADLP C[N@@H+]1CCC[C@@H]1CN1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000925290674 658816747 /nfs/dbraw/zinc/81/67/47/658816747.db2.gz FUPFLYGJZSINKC-MNOVXSKESA-N 2 2 277.328 -0.033 20 0 CBADLP C[N@H+]1CCC[C@@H]1CN1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000925290674 658816752 /nfs/dbraw/zinc/81/67/52/658816752.db2.gz FUPFLYGJZSINKC-MNOVXSKESA-N 2 2 277.328 -0.033 20 0 CBADLP C[N@@H+]1CC[C@@H]1CNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000925411203 658839564 /nfs/dbraw/zinc/83/95/64/658839564.db2.gz MVYDOKXSHPJMIE-OLZOCXBDSA-N 2 2 282.388 -0.193 20 0 CBADLP C[N@H+]1CC[C@@H]1CNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000925411203 658839570 /nfs/dbraw/zinc/83/95/70/658839570.db2.gz MVYDOKXSHPJMIE-OLZOCXBDSA-N 2 2 282.388 -0.193 20 0 CBADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCOCCS(C)(=O)=O ZINC000925572293 658859012 /nfs/dbraw/zinc/85/90/12/658859012.db2.gz LSJCQPAFIWEZAY-GHMZBOCLSA-N 2 2 264.391 -0.222 20 0 CBADLP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@H]2CC[N@@H+]2C)CC1 ZINC000925424032 658845824 /nfs/dbraw/zinc/84/58/24/658845824.db2.gz IGUDGPPRNVKDTD-NWDGAFQWSA-N 2 2 270.377 -0.602 20 0 CBADLP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@H]2CC[N@H+]2C)CC1 ZINC000925424032 658845827 /nfs/dbraw/zinc/84/58/27/658845827.db2.gz IGUDGPPRNVKDTD-NWDGAFQWSA-N 2 2 270.377 -0.602 20 0 CBADLP C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@@H]2CC[NH+]2C)[C@@H](C)C1 ZINC000925425206 658847880 /nfs/dbraw/zinc/84/78/80/658847880.db2.gz NEQALLRGFIFAFE-AVGNSLFASA-N 2 2 284.404 -0.213 20 0 CBADLP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@@H]2CC[NH+]2C)[C@@H](C)C1 ZINC000925425206 658847892 /nfs/dbraw/zinc/84/78/92/658847892.db2.gz NEQALLRGFIFAFE-AVGNSLFASA-N 2 2 284.404 -0.213 20 0 CBADLP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2CC[N@@H+]2C)[C@@H](C)C1 ZINC000925425206 658847894 /nfs/dbraw/zinc/84/78/94/658847894.db2.gz NEQALLRGFIFAFE-AVGNSLFASA-N 2 2 284.404 -0.213 20 0 CBADLP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2CC[N@H+]2C)[C@@H](C)C1 ZINC000925425206 658847897 /nfs/dbraw/zinc/84/78/97/658847897.db2.gz NEQALLRGFIFAFE-AVGNSLFASA-N 2 2 284.404 -0.213 20 0 CBADLP C[C@@H]1CN(C(=O)NC[C@H]2CC[NH+]2C)C[C@H](C)[N@H+]1CCO ZINC000925428654 658850357 /nfs/dbraw/zinc/85/03/57/658850357.db2.gz DDXJNEGLJLAPOR-FRRDWIJNSA-N 2 2 284.404 -0.213 20 0 CBADLP C[C@@H]1CN(C(=O)NC[C@H]2CC[NH+]2C)C[C@H](C)[N@@H+]1CCO ZINC000925428654 658850360 /nfs/dbraw/zinc/85/03/60/658850360.db2.gz DDXJNEGLJLAPOR-FRRDWIJNSA-N 2 2 284.404 -0.213 20 0 CBADLP C[C@@H]1CN(C(=O)NC[C@H]2CC[N@@H+]2C)C[C@H](C)[NH+]1CCO ZINC000925428654 658850365 /nfs/dbraw/zinc/85/03/65/658850365.db2.gz DDXJNEGLJLAPOR-FRRDWIJNSA-N 2 2 284.404 -0.213 20 0 CBADLP C[C@@H]1CN(C(=O)NC[C@H]2CC[N@H+]2C)C[C@H](C)[NH+]1CCO ZINC000925428654 658850370 /nfs/dbraw/zinc/85/03/70/658850370.db2.gz DDXJNEGLJLAPOR-FRRDWIJNSA-N 2 2 284.404 -0.213 20 0 CBADLP C[C@@H]1C[N@H+](CCO)CCN1C(=O)NC[C@@H]1CC[NH+]1C ZINC000925431944 658852341 /nfs/dbraw/zinc/85/23/41/658852341.db2.gz OPWDVCKEVZDRKG-NEPJUHHUSA-N 2 2 270.377 -0.602 20 0 CBADLP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NC[C@@H]1CC[NH+]1C ZINC000925431944 658852347 /nfs/dbraw/zinc/85/23/47/658852347.db2.gz OPWDVCKEVZDRKG-NEPJUHHUSA-N 2 2 270.377 -0.602 20 0 CBADLP C[C@@H]1C[NH+](CCO)CCN1C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000925431944 658852351 /nfs/dbraw/zinc/85/23/51/658852351.db2.gz OPWDVCKEVZDRKG-NEPJUHHUSA-N 2 2 270.377 -0.602 20 0 CBADLP C[C@@H]1C[NH+](CCO)CCN1C(=O)NC[C@@H]1CC[N@H+]1C ZINC000925431944 658852355 /nfs/dbraw/zinc/85/23/55/658852355.db2.gz OPWDVCKEVZDRKG-NEPJUHHUSA-N 2 2 270.377 -0.602 20 0 CBADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCNC(=O)c1ccn[nH]1 ZINC000925631629 658863240 /nfs/dbraw/zinc/86/32/40/658863240.db2.gz IYALJHKXTPHROD-NXEZZACHSA-N 2 2 251.334 -0.130 20 0 CBADLP CC1(C)[C@H]([NH2+]CC(=O)N2CC[NH2+]CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925690698 658866151 /nfs/dbraw/zinc/86/61/51/658866151.db2.gz KUKMJTXBENRQJC-KWCYVHTRSA-N 3 2 280.416 -0.216 20 0 CBADLP NC(=O)C[C@@H]1C[N@@H+]([C@H]2C[C@H]([NH3+])C23CCC3)CCO1 ZINC000925717902 658868086 /nfs/dbraw/zinc/86/80/86/658868086.db2.gz IMBGFCPDAIOZDV-VWYCJHECSA-N 2 2 253.346 -0.168 20 0 CBADLP NC(=O)C[C@@H]1C[N@H+]([C@H]2C[C@H]([NH3+])C23CCC3)CCO1 ZINC000925717902 658868091 /nfs/dbraw/zinc/86/80/91/658868091.db2.gz IMBGFCPDAIOZDV-VWYCJHECSA-N 2 2 253.346 -0.168 20 0 CBADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@@]12COC(=O)N1CCOC2 ZINC000925732975 658868710 /nfs/dbraw/zinc/86/87/10/658868710.db2.gz HZIOJEBOTPRAEU-DMDPSCGWSA-N 2 2 269.345 -0.062 20 0 CBADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@@]12COC(=O)N1CCOC2 ZINC000925731681 658868976 /nfs/dbraw/zinc/86/89/76/658868976.db2.gz CMPVOIYMZWBBPY-GXFFZTMASA-N 2 2 269.345 -0.062 20 0 CBADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCN1CCNC1=O ZINC000925778660 658870829 /nfs/dbraw/zinc/87/08/29/658870829.db2.gz WHRXQXKMKRMAJS-QWRGUYRKSA-N 2 2 256.350 -0.632 20 0 CBADLP Cn1nccc1[C@H](O)C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000925890383 658875537 /nfs/dbraw/zinc/87/55/37/658875537.db2.gz OSWXFPTXIWFLDV-RDBSUJKOSA-N 2 2 280.372 -0.190 20 0 CBADLP Cn1nccc1NC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000926089698 658886037 /nfs/dbraw/zinc/88/60/37/658886037.db2.gz AXUWFKWYYFFWIM-UHFFFAOYSA-N 2 2 266.349 -0.035 20 0 CBADLP CC1(C)CNC(=O)[C@@H]1[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000926748275 658912559 /nfs/dbraw/zinc/91/25/59/658912559.db2.gz DYDIJIUOQBJMSN-QWRGUYRKSA-N 2 2 282.388 -0.560 20 0 CBADLP CC1(C)CNC(=O)[C@@H]1[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000926748275 658912562 /nfs/dbraw/zinc/91/25/62/658912562.db2.gz DYDIJIUOQBJMSN-QWRGUYRKSA-N 2 2 282.388 -0.560 20 0 CBADLP O=C(CCc1[nH]cc[nH+]1)N1CC[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC000968538678 658931614 /nfs/dbraw/zinc/93/16/14/658931614.db2.gz UNLNLKHSTZDTQD-GHMZBOCLSA-N 2 2 291.355 -0.579 20 0 CBADLP C[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000968548990 658932001 /nfs/dbraw/zinc/93/20/01/658932001.db2.gz LFCHNKLIDCCGKG-NEPJUHHUSA-N 2 2 294.399 -0.606 20 0 CBADLP C[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000968548990 658932003 /nfs/dbraw/zinc/93/20/03/658932003.db2.gz LFCHNKLIDCCGKG-NEPJUHHUSA-N 2 2 294.399 -0.606 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@H]1C[N@@H+](CC(N)=O)CC[C@H]1C ZINC000968655250 658937782 /nfs/dbraw/zinc/93/77/82/658937782.db2.gz NGRCPYAHWSDIES-PWSUYJOCSA-N 2 2 293.371 -0.497 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@H]1C[N@H+](CC(N)=O)CC[C@H]1C ZINC000968655250 658937785 /nfs/dbraw/zinc/93/77/85/658937785.db2.gz NGRCPYAHWSDIES-PWSUYJOCSA-N 2 2 293.371 -0.497 20 0 CBADLP C[C@H]1CC[N@H+](CCO)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000968702674 658939493 /nfs/dbraw/zinc/93/94/93/658939493.db2.gz OFNLLQLANKKJMT-NWDGAFQWSA-N 2 2 266.345 -0.298 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)N1CC[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC000968877658 658942857 /nfs/dbraw/zinc/94/28/57/658942857.db2.gz XLBZRSZATTZGCZ-VXGBXAGGSA-N 2 2 291.355 -0.579 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)N1CC[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC000968877658 658942864 /nfs/dbraw/zinc/94/28/64/658942864.db2.gz XLBZRSZATTZGCZ-VXGBXAGGSA-N 2 2 291.355 -0.579 20 0 CBADLP C[C@H](O)C[NH2+][C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000968877653 658943523 /nfs/dbraw/zinc/94/35/23/658943523.db2.gz XJEAATFBGAKXSI-CMPLNLGQSA-N 2 2 266.345 -0.086 20 0 CBADLP C[C@H](O)C[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000968877653 658943529 /nfs/dbraw/zinc/94/35/29/658943529.db2.gz XJEAATFBGAKXSI-CMPLNLGQSA-N 2 2 266.345 -0.086 20 0 CBADLP C[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC000969437334 658990654 /nfs/dbraw/zinc/99/06/54/658990654.db2.gz SESGXQNCPXQPAB-VXGBXAGGSA-N 2 2 280.372 -0.076 20 0 CBADLP C[C@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)C1C[NH+](CCO)C1 ZINC000969979141 659027247 /nfs/dbraw/zinc/02/72/47/659027247.db2.gz FTCQHAZEZQGVSR-RYUDHWBXSA-N 2 2 292.383 -0.126 20 0 CBADLP C[C@@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)C1C[NH+](CCO)C1 ZINC000969996878 659028276 /nfs/dbraw/zinc/02/82/76/659028276.db2.gz LFKNLHBCBKOTMV-VXGBXAGGSA-N 2 2 292.383 -0.126 20 0 CBADLP C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1C[NH+](CCO)C1 ZINC000970439328 659055725 /nfs/dbraw/zinc/05/57/25/659055725.db2.gz GITCBSYZPGQZBT-RAIGVLPGSA-N 2 2 292.383 -0.048 20 0 CBADLP C[N@H+](CCO)[C@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000971816553 659098544 /nfs/dbraw/zinc/09/85/44/659098544.db2.gz BMASLHQNTZRHEB-STQMWFEESA-N 2 2 292.383 -0.030 20 0 CBADLP C[N@@H+](CCO)[C@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000971816553 659098551 /nfs/dbraw/zinc/09/85/51/659098551.db2.gz BMASLHQNTZRHEB-STQMWFEESA-N 2 2 292.383 -0.030 20 0 CBADLP C[N@H+](CCO)[C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000971818471 659098746 /nfs/dbraw/zinc/09/87/46/659098746.db2.gz ORHBSQOXNPOYMG-JSGCOSHPSA-N 2 2 292.383 -0.030 20 0 CBADLP C[N@@H+](CCO)[C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000971818471 659098753 /nfs/dbraw/zinc/09/87/53/659098753.db2.gz ORHBSQOXNPOYMG-JSGCOSHPSA-N 2 2 292.383 -0.030 20 0 CBADLP Cn1cc(C2=NC[C@@H](C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)O2)cn1 ZINC000929313040 659115969 /nfs/dbraw/zinc/11/59/69/659115969.db2.gz PGRJSRKICKKFOS-LOWVWBTDSA-N 2 2 275.356 -0.283 20 0 CBADLP Cn1cc(C2=NC[C@@H](C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)O2)cn1 ZINC000929313040 659115975 /nfs/dbraw/zinc/11/59/75/659115975.db2.gz PGRJSRKICKKFOS-LOWVWBTDSA-N 2 2 275.356 -0.283 20 0 CBADLP C[C@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000972433584 659118197 /nfs/dbraw/zinc/11/81/97/659118197.db2.gz PPBUSWMTLBGYPR-CMPLNLGQSA-N 2 2 266.345 -0.134 20 0 CBADLP C[C@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000972433584 659118198 /nfs/dbraw/zinc/11/81/98/659118198.db2.gz PPBUSWMTLBGYPR-CMPLNLGQSA-N 2 2 266.345 -0.134 20 0 CBADLP CC[NH+](CC)CC(=O)N1CC[NH+](C[C@@H](O)[C@@H](C)O)CC1 ZINC000929516688 659136823 /nfs/dbraw/zinc/13/68/23/659136823.db2.gz BWQXJYAMTUFIGC-CHWSQXEVSA-N 2 2 287.404 -0.786 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](CC(N)=O)CC1(C)C ZINC000974845487 659173422 /nfs/dbraw/zinc/17/34/22/659173422.db2.gz TWXYSAOWBIYYTD-LLVKDONJSA-N 2 2 293.371 -0.497 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](CC(N)=O)CC1(C)C ZINC000974845487 659173425 /nfs/dbraw/zinc/17/34/25/659173425.db2.gz TWXYSAOWBIYYTD-LLVKDONJSA-N 2 2 293.371 -0.497 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@H]1C[N@H+](CC(N)=O)CC1(C)C ZINC000977593175 659199669 /nfs/dbraw/zinc/19/96/69/659199669.db2.gz FYEGFDCLDFCPDH-NSHDSACASA-N 2 2 293.371 -0.497 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@H]1C[N@@H+](CC(N)=O)CC1(C)C ZINC000977593175 659199671 /nfs/dbraw/zinc/19/96/71/659199671.db2.gz FYEGFDCLDFCPDH-NSHDSACASA-N 2 2 293.371 -0.497 20 0 CBADLP C[C@@H](O)[C@H](O)C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000930062540 659201211 /nfs/dbraw/zinc/20/12/11/659201211.db2.gz VKSLOOHIJWSCIE-GHMZBOCLSA-N 2 2 254.334 -0.716 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CCC[C@H]([NH2+]CC(N)=O)C1 ZINC000981458502 659319693 /nfs/dbraw/zinc/31/96/93/659319693.db2.gz ZAZUKSIHFYAFEP-QWRGUYRKSA-N 2 2 293.371 -0.535 20 0 CBADLP NC(=O)C[NH2+][C@@H]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000981547326 659322222 /nfs/dbraw/zinc/32/22/22/659322222.db2.gz DWZROAXAXMHPFC-GHMZBOCLSA-N 2 2 279.344 -0.615 20 0 CBADLP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC[NH+](CC(N)=O)CC1 ZINC000981959969 659336957 /nfs/dbraw/zinc/33/69/57/659336957.db2.gz QYRSWHDVGBIMQN-NWDGAFQWSA-N 2 2 282.388 -0.796 20 0 CBADLP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC[NH+](CC(N)=O)CC1 ZINC000981959969 659336962 /nfs/dbraw/zinc/33/69/62/659336962.db2.gz QYRSWHDVGBIMQN-NWDGAFQWSA-N 2 2 282.388 -0.796 20 0 CBADLP C[C@H]1C[NH+](C)C[C@H]1C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000981959969 659336966 /nfs/dbraw/zinc/33/69/66/659336966.db2.gz QYRSWHDVGBIMQN-NWDGAFQWSA-N 2 2 282.388 -0.796 20 0 CBADLP C[C@H]1C[NH+](C)C[C@H]1C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000981959969 659336971 /nfs/dbraw/zinc/33/69/71/659336971.db2.gz QYRSWHDVGBIMQN-NWDGAFQWSA-N 2 2 282.388 -0.796 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@H](C[NH2+]Cc2cnon2)C1 ZINC000985171760 659373485 /nfs/dbraw/zinc/37/34/85/659373485.db2.gz ULUGGMPAVGQSBU-XYPYZODXSA-N 2 2 290.327 -0.049 20 0 CBADLP C[N@H+](CC(N)=O)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000985674385 659394085 /nfs/dbraw/zinc/39/40/85/659394085.db2.gz BGMPFIVNCJVRLK-UHFFFAOYSA-N 2 2 279.344 -0.640 20 0 CBADLP C[N@@H+](CC(N)=O)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000985674385 659394091 /nfs/dbraw/zinc/39/40/91/659394091.db2.gz BGMPFIVNCJVRLK-UHFFFAOYSA-N 2 2 279.344 -0.640 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CCC([N@H+](C)CC(N)=O)CC1 ZINC000985752338 659398274 /nfs/dbraw/zinc/39/82/74/659398274.db2.gz RYKAUQILYJDUKV-UHFFFAOYSA-N 2 2 293.371 -0.629 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CCC([N@@H+](C)CC(N)=O)CC1 ZINC000985752338 659398279 /nfs/dbraw/zinc/39/82/79/659398279.db2.gz RYKAUQILYJDUKV-UHFFFAOYSA-N 2 2 293.371 -0.629 20 0 CBADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@H](O)C3(O)CCOCC3)C[C@H]21 ZINC000931276411 659425082 /nfs/dbraw/zinc/42/50/82/659425082.db2.gz HXFKKQQSKIQFBN-QNWHQSFQSA-N 2 2 270.373 -0.619 20 0 CBADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[C@H](O)C3(O)CCOCC3)C[C@H]21 ZINC000931276411 659425090 /nfs/dbraw/zinc/42/50/90/659425090.db2.gz HXFKKQQSKIQFBN-QNWHQSFQSA-N 2 2 270.373 -0.619 20 0 CBADLP COC(=O)Cn1cc(CC[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)nn1 ZINC000931280547 659425518 /nfs/dbraw/zinc/42/55/18/659425518.db2.gz OGCWSZYGBMBPBL-IMRBUKKESA-N 2 2 293.371 -0.515 20 0 CBADLP COC(=O)Cn1cc(CC[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)nn1 ZINC000931280547 659425536 /nfs/dbraw/zinc/42/55/36/659425536.db2.gz OGCWSZYGBMBPBL-IMRBUKKESA-N 2 2 293.371 -0.515 20 0 CBADLP CCOC(=O)[C@@](C)(O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931278866 659425583 /nfs/dbraw/zinc/42/55/83/659425583.db2.gz PSDQGOIOYCSMGL-WGBDABJCSA-N 2 2 256.346 -0.208 20 0 CBADLP CCOC(=O)[C@@](C)(O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931278866 659425599 /nfs/dbraw/zinc/42/55/99/659425599.db2.gz PSDQGOIOYCSMGL-WGBDABJCSA-N 2 2 256.346 -0.208 20 0 CBADLP C[C@H]1[C@@H]([NH2+]CCO)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000986211652 659430850 /nfs/dbraw/zinc/43/08/50/659430850.db2.gz JBRVBOJDBAWTMN-QWRGUYRKSA-N 2 2 266.345 -0.086 20 0 CBADLP C[C@@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)CCn1cc[nH+]c1 ZINC000986629706 659464672 /nfs/dbraw/zinc/46/46/72/659464672.db2.gz SQKBDDRMECGXGV-MNOVXSKESA-N 2 2 279.344 -0.663 20 0 CBADLP Nc1cc[nH+]c2c1C[N@H+](C[C@H](O)C[C@@]1(O)CCOC1)CC2 ZINC000931516085 659477995 /nfs/dbraw/zinc/47/79/95/659477995.db2.gz HCQKOSNYFSMHQI-ABAIWWIYSA-N 2 2 293.367 -0.076 20 0 CBADLP Nc1cc[nH+]c2c1C[N@@H+](C[C@H](O)C[C@@]1(O)CCOC1)CC2 ZINC000931516085 659478007 /nfs/dbraw/zinc/47/80/07/659478007.db2.gz HCQKOSNYFSMHQI-ABAIWWIYSA-N 2 2 293.367 -0.076 20 0 CBADLP C[C@@H]1[C@@H]([NH2+]CCO)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000987056592 659488124 /nfs/dbraw/zinc/48/81/24/659488124.db2.gz GJEQGSADHXGOEH-KOLCDFICSA-N 2 2 252.318 -0.477 20 0 CBADLP C[C@@H]1[C@H]([NH2+]CC(N)=O)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000987072278 659488145 /nfs/dbraw/zinc/48/81/45/659488145.db2.gz ZTQWLBORNKFMPV-PSASIEDQSA-N 2 2 265.317 -0.984 20 0 CBADLP C[C@H]1[C@H]([NH2+]CC(N)=O)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000987072288 659488225 /nfs/dbraw/zinc/48/82/25/659488225.db2.gz ZTQWLBORNKFMPV-WCBMZHEXSA-N 2 2 265.317 -0.984 20 0 CBADLP COC1(OC)CC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C[C@H]1O ZINC000931636836 659498782 /nfs/dbraw/zinc/49/87/82/659498782.db2.gz ZIHSVLDSGJXEJO-QWHCGFSZSA-N 2 2 290.404 -0.257 20 0 CBADLP COC1(OC)CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C[C@H]1O ZINC000931636836 659498788 /nfs/dbraw/zinc/49/87/88/659498788.db2.gz ZIHSVLDSGJXEJO-QWHCGFSZSA-N 2 2 290.404 -0.257 20 0 CBADLP COC1(OC)CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C[C@H]1O ZINC000931636836 659498805 /nfs/dbraw/zinc/49/88/05/659498805.db2.gz ZIHSVLDSGJXEJO-QWHCGFSZSA-N 2 2 290.404 -0.257 20 0 CBADLP COC1(OC)CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C[C@H]1O ZINC000931636836 659498810 /nfs/dbraw/zinc/49/88/10/659498810.db2.gz ZIHSVLDSGJXEJO-QWHCGFSZSA-N 2 2 290.404 -0.257 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@H]2C(=O)NCC2(C)C)CC1 ZINC000931664679 659506364 /nfs/dbraw/zinc/50/63/64/659506364.db2.gz TUDPRRKRDBAFEH-NEPJUHHUSA-N 2 2 296.415 -0.347 20 0 CBADLP C[C@H]1C[C@H]([NH2+]CC(N)=O)CN1C(=O)CCc1c[nH]c[nH+]1 ZINC000988934080 659563463 /nfs/dbraw/zinc/56/34/63/659563463.db2.gz PZLKJODJBFJPNO-ONGXEEELSA-N 2 2 279.344 -0.593 20 0 CBADLP C[C@H]1C[C@H]([NH2+]CCO)CN1C(=O)CCc1[nH+]ccn1C ZINC000989228737 659575038 /nfs/dbraw/zinc/57/50/38/659575038.db2.gz IFQURXSXQOWKKZ-RYUDHWBXSA-N 2 2 280.372 -0.076 20 0 CBADLP C[C@@H]1C[C@H]([NH2+]CC(N)=O)CN1C(=O)CCn1cc[nH+]c1 ZINC000989265648 659577844 /nfs/dbraw/zinc/57/78/44/659577844.db2.gz HVALOURBXMKVPP-MNOVXSKESA-N 2 2 279.344 -0.663 20 0 CBADLP C[C@@H]1C[C@H]([NH2+]CCO)CN1C(=O)CCn1cc[nH+]c1 ZINC000989267282 659577932 /nfs/dbraw/zinc/57/79/32/659577932.db2.gz SPDUGZYEYROOHW-NEPJUHHUSA-N 2 2 266.345 -0.156 20 0 CBADLP O=C(C[NH+]1CCCC1)N1CCC[N@@H+]([C@H]2CCNC2=O)CC1 ZINC000989670369 659606460 /nfs/dbraw/zinc/60/64/60/659606460.db2.gz UZSNBPUPXYKWHG-ZDUSSCGKSA-N 2 2 294.399 -0.495 20 0 CBADLP O=C(C[NH+]1CCCC1)N1CCC[N@H+]([C@H]2CCNC2=O)CC1 ZINC000989670369 659606466 /nfs/dbraw/zinc/60/64/66/659606466.db2.gz UZSNBPUPXYKWHG-ZDUSSCGKSA-N 2 2 294.399 -0.495 20 0 CBADLP C[C@@H]1COC[C@H]1[NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000932498513 659607572 /nfs/dbraw/zinc/60/75/72/659607572.db2.gz XLFXJPWKKHHNMQ-CHWSQXEVSA-N 2 2 299.415 -0.162 20 0 CBADLP C[C@H]1C[C@H]([NH2+]CCO)CN1C(=O)CCc1c[nH+]cn1C ZINC000989737410 659611376 /nfs/dbraw/zinc/61/13/76/659611376.db2.gz YKJVOTGEAWAUQT-RYUDHWBXSA-N 2 2 280.372 -0.076 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@]12CCC[C@@H]1[NH+](CC(N)=O)CC2 ZINC000990025276 659645732 /nfs/dbraw/zinc/64/57/32/659645732.db2.gz IFFLUSMQYFPZOF-XUJVJEKNSA-N 2 2 294.399 -0.321 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@]12CCC[C@@H]1[NH+](CC(N)=O)CC2 ZINC000990025276 659645739 /nfs/dbraw/zinc/64/57/39/659645739.db2.gz IFFLUSMQYFPZOF-XUJVJEKNSA-N 2 2 294.399 -0.321 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)N[C@]12CCC[C@@H]1[N@H+](CC(N)=O)CC2 ZINC000990025276 659645751 /nfs/dbraw/zinc/64/57/51/659645751.db2.gz IFFLUSMQYFPZOF-XUJVJEKNSA-N 2 2 294.399 -0.321 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)N[C@]12CCC[C@@H]1[N@@H+](CC(N)=O)CC2 ZINC000990025276 659645755 /nfs/dbraw/zinc/64/57/55/659645755.db2.gz IFFLUSMQYFPZOF-XUJVJEKNSA-N 2 2 294.399 -0.321 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000990522213 659757368 /nfs/dbraw/zinc/75/73/68/659757368.db2.gz HAOHFWZRKMPPEC-GFCCVEGCSA-N 2 2 291.355 -0.627 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000990522213 659757374 /nfs/dbraw/zinc/75/73/74/659757374.db2.gz HAOHFWZRKMPPEC-GFCCVEGCSA-N 2 2 291.355 -0.627 20 0 CBADLP C[NH+]1CCC(OCC(=O)NC[C@@H]2C[NH+]3CCN2CC3)CC1 ZINC000935015096 659815076 /nfs/dbraw/zinc/81/50/76/659815076.db2.gz GYPTWKBMJVKDKE-CYBMUJFWSA-N 2 2 296.415 -0.787 20 0 CBADLP NC(=O)C[N@@H+]1CC[C@]2(NC(=O)Cn3cc[nH+]c3)CCC[C@H]12 ZINC000992536093 659858034 /nfs/dbraw/zinc/85/80/34/659858034.db2.gz QWOIMKDWAUWBCN-SMDDNHRTSA-N 2 2 291.355 -0.518 20 0 CBADLP NC(=O)C[N@H+]1CC[C@]2(NC(=O)Cn3cc[nH+]c3)CCC[C@H]12 ZINC000992536093 659858037 /nfs/dbraw/zinc/85/80/37/659858037.db2.gz QWOIMKDWAUWBCN-SMDDNHRTSA-N 2 2 291.355 -0.518 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CCC[N@@H+]1CCO ZINC000994509161 659882873 /nfs/dbraw/zinc/88/28/73/659882873.db2.gz QWZRXCNABKAJLZ-NEPJUHHUSA-N 2 2 266.345 -0.156 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CCC[N@H+]1CCO ZINC000994509161 659882874 /nfs/dbraw/zinc/88/28/74/659882874.db2.gz QWZRXCNABKAJLZ-NEPJUHHUSA-N 2 2 266.345 -0.156 20 0 CBADLP C[C@@H]1C[N@H+](CC(N)=O)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945810426 659943442 /nfs/dbraw/zinc/94/34/42/659943442.db2.gz XPQCAXFWGVIABR-GHMZBOCLSA-N 2 2 279.344 -0.805 20 0 CBADLP C[C@@H]1C[N@@H+](CC(N)=O)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945810426 659943445 /nfs/dbraw/zinc/94/34/45/659943445.db2.gz XPQCAXFWGVIABR-GHMZBOCLSA-N 2 2 279.344 -0.805 20 0 CBADLP C[C@H]1C[N@H+](CCO)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945810868 659943535 /nfs/dbraw/zinc/94/35/35/659943535.db2.gz YDLOFQVGDHIFKB-RYUDHWBXSA-N 2 2 266.345 -0.298 20 0 CBADLP C[C@H]1C[N@@H+](CCO)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945810868 659943540 /nfs/dbraw/zinc/94/35/40/659943540.db2.gz YDLOFQVGDHIFKB-RYUDHWBXSA-N 2 2 266.345 -0.298 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](CC(N)=O)[C@H](C)C1 ZINC000948052199 659964206 /nfs/dbraw/zinc/96/42/06/659964206.db2.gz BWXRTARCFUSZTO-ZYHUDNBSSA-N 2 2 293.371 -0.354 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)[C@H](C)C1 ZINC000948052199 659964219 /nfs/dbraw/zinc/96/42/19/659964219.db2.gz BWXRTARCFUSZTO-ZYHUDNBSSA-N 2 2 293.371 -0.354 20 0 CBADLP C[C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@@H+]1CC(N)=O ZINC000948089293 659965473 /nfs/dbraw/zinc/96/54/73/659965473.db2.gz BUJWBNNHYXSZHI-QWRGUYRKSA-N 2 2 279.344 -0.663 20 0 CBADLP C[C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@H+]1CC(N)=O ZINC000948089293 659965475 /nfs/dbraw/zinc/96/54/75/659965475.db2.gz BUJWBNNHYXSZHI-QWRGUYRKSA-N 2 2 279.344 -0.663 20 0 CBADLP C[C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@@H+]1CCO ZINC000948090247 659965557 /nfs/dbraw/zinc/96/55/57/659965557.db2.gz HNDBSDZIFQDBRW-RYUDHWBXSA-N 2 2 266.345 -0.156 20 0 CBADLP C[C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@H+]1CCO ZINC000948090247 659965566 /nfs/dbraw/zinc/96/55/66/659965566.db2.gz HNDBSDZIFQDBRW-RYUDHWBXSA-N 2 2 266.345 -0.156 20 0 CBADLP C[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001076633323 805583503 /nfs/dbraw/zinc/58/35/03/805583503.db2.gz IQFASCKWLKMNAI-RWMBFGLXSA-N 2 2 278.356 -0.203 20 0 CBADLP C[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001076633323 805583510 /nfs/dbraw/zinc/58/35/10/805583510.db2.gz IQFASCKWLKMNAI-RWMBFGLXSA-N 2 2 278.356 -0.203 20 0 CBADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCOC2(CC[NH2+]CC2)C1 ZINC000063527834 790341966 /nfs/dbraw/zinc/34/19/66/790341966.db2.gz DHOSVYISPRAYQU-LBPRGKRZSA-N 3 2 293.371 -0.740 20 0 CBADLP CC(C)NC(=O)[C@@H](C)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000229012455 790436796 /nfs/dbraw/zinc/43/67/96/790436796.db2.gz CSRMDNXUPRZPRB-NEPJUHHUSA-N 2 2 257.378 -0.054 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(CC[NH3+])CC1 ZINC000394074091 790577476 /nfs/dbraw/zinc/57/74/76/790577476.db2.gz SXAYFFIRHRNUNX-AWEZNQCLSA-N 3 2 273.421 -0.014 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC(CC[NH3+])CC1 ZINC000394074091 790577482 /nfs/dbraw/zinc/57/74/82/790577482.db2.gz SXAYFFIRHRNUNX-AWEZNQCLSA-N 3 2 273.421 -0.014 20 0 CBADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1CC[C@H](O)[C@H](CO)C1 ZINC000396883548 790589363 /nfs/dbraw/zinc/58/93/63/790589363.db2.gz MJFDMJCIHFCGFL-AVGNSLFASA-N 2 2 260.378 -0.636 20 0 CBADLP CC[NH+](CC)C[C@H](O)C[N@H+]1CC[C@H](O)[C@H](CO)C1 ZINC000396883548 790589373 /nfs/dbraw/zinc/58/93/73/790589373.db2.gz MJFDMJCIHFCGFL-AVGNSLFASA-N 2 2 260.378 -0.636 20 0 CBADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC000396883546 790590279 /nfs/dbraw/zinc/59/02/79/790590279.db2.gz MJFDMJCIHFCGFL-AGIUHOORSA-N 2 2 260.378 -0.636 20 0 CBADLP CC[NH+](CC)C[C@H](O)C[N@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC000396883546 790590284 /nfs/dbraw/zinc/59/02/84/790590284.db2.gz MJFDMJCIHFCGFL-AGIUHOORSA-N 2 2 260.378 -0.636 20 0 CBADLP OCC[NH+]1CCC([NH2+]C[C@H](O)C(F)(F)F)CC1 ZINC000399131486 790597874 /nfs/dbraw/zinc/59/78/74/790597874.db2.gz NSEQYWPAWQOUFT-VIFPVBQESA-N 2 2 256.268 -0.044 20 0 CBADLP C[C@@H]1CC[C@@H]([NH2+]CCC(=O)N2CCOCC2)C[NH2+]1 ZINC000398967946 790598651 /nfs/dbraw/zinc/59/86/51/790598651.db2.gz SRHDKVHTVWAMNZ-VXGBXAGGSA-N 2 2 255.362 -0.035 20 0 CBADLP CO[C@]1(CO)CCC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000401726854 790607717 /nfs/dbraw/zinc/60/77/17/790607717.db2.gz QZHFUQGFNPZWFF-UONOGXRCSA-N 2 2 272.389 -0.084 20 0 CBADLP CO[C@]1(CO)CCC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000401726854 790607722 /nfs/dbraw/zinc/60/77/22/790607722.db2.gz QZHFUQGFNPZWFF-UONOGXRCSA-N 2 2 272.389 -0.084 20 0 CBADLP CCO[C@@H]1C[N@H+](CC(=O)N2CCO[C@H](C)C2)C[C@H]1C[NH3+] ZINC000405212687 790616711 /nfs/dbraw/zinc/61/67/11/790616711.db2.gz LYKDCKQTXYXLLA-JHJVBQTASA-N 2 2 285.388 -0.471 20 0 CBADLP CCO[C@@H]1C[N@@H+](CC(=O)N2CCO[C@H](C)C2)C[C@H]1C[NH3+] ZINC000405212687 790616715 /nfs/dbraw/zinc/61/67/15/790616715.db2.gz LYKDCKQTXYXLLA-JHJVBQTASA-N 2 2 285.388 -0.471 20 0 CBADLP Cn1c[nH+]cc1CCCN1CC[N@H+](C)[C@H](CO)C1 ZINC000687593175 790656981 /nfs/dbraw/zinc/65/69/81/790656981.db2.gz KLVAWONVDPBQRU-ZDUSSCGKSA-N 2 2 252.362 -0.039 20 0 CBADLP Cn1c[nH+]cc1CCCN1CC[N@@H+](C)[C@H](CO)C1 ZINC000687593175 790656989 /nfs/dbraw/zinc/65/69/89/790656989.db2.gz KLVAWONVDPBQRU-ZDUSSCGKSA-N 2 2 252.362 -0.039 20 0 CBADLP CN(CC[N@H+](C)CCO)C(=O)CCn1cc[nH+]c1 ZINC000691353319 790673962 /nfs/dbraw/zinc/67/39/62/790673962.db2.gz SOBHZEGTDIGLJF-UHFFFAOYSA-N 2 2 254.334 -0.344 20 0 CBADLP CN(CC[N@@H+](C)CCO)C(=O)CCn1cc[nH+]c1 ZINC000691353319 790673965 /nfs/dbraw/zinc/67/39/65/790673965.db2.gz SOBHZEGTDIGLJF-UHFFFAOYSA-N 2 2 254.334 -0.344 20 0 CBADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCN1CCCS1(=O)=O ZINC000695077271 790687679 /nfs/dbraw/zinc/68/76/79/790687679.db2.gz ZJFWIDVFVBTAPG-GHMZBOCLSA-N 2 2 261.391 -0.167 20 0 CBADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCN1CCCS1(=O)=O ZINC000695077271 790687683 /nfs/dbraw/zinc/68/76/83/790687683.db2.gz ZJFWIDVFVBTAPG-GHMZBOCLSA-N 2 2 261.391 -0.167 20 0 CBADLP CC1([NH3+])CC[NH+](CCN2CCCS2(=O)=O)CC1 ZINC000695042620 790686731 /nfs/dbraw/zinc/68/67/31/790686731.db2.gz KIRFTPJGMRKDEV-UHFFFAOYSA-N 2 2 261.391 -0.165 20 0 CBADLP [NH3+]CCS(=O)(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000722225328 790790050 /nfs/dbraw/zinc/79/00/50/790790050.db2.gz DJFSIDVQAOLNEA-LLVKDONJSA-N 2 2 277.390 -0.929 20 0 CBADLP CO[C@@H]1CCOC[C@H]1[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000724892367 790811640 /nfs/dbraw/zinc/81/16/40/790811640.db2.gz XSTLRFZPBXWPAC-YNEHKIRRSA-N 2 2 258.362 -0.163 20 0 CBADLP CN(C)S(=O)(=O)CCC[N@H+](C)C1(C[NH3+])CCOCC1 ZINC000725064014 790818063 /nfs/dbraw/zinc/81/80/63/790818063.db2.gz NXXWFMBAVNRWLQ-UHFFFAOYSA-N 2 2 293.433 -0.292 20 0 CBADLP CN(C)S(=O)(=O)CCC[N@@H+](C)C1(C[NH3+])CCOCC1 ZINC000725064014 790818068 /nfs/dbraw/zinc/81/80/68/790818068.db2.gz NXXWFMBAVNRWLQ-UHFFFAOYSA-N 2 2 293.433 -0.292 20 0 CBADLP O=C1N[C@@H](C2CC[NH+](C[C@@H]3C[NH2+]CCO3)CC2)CO1 ZINC000923526769 790923411 /nfs/dbraw/zinc/92/34/11/790923411.db2.gz UKZVJJYPVKUCIT-NWDGAFQWSA-N 2 2 269.345 -0.205 20 0 CBADLP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCF)C[C@H]1O ZINC001077235948 805702883 /nfs/dbraw/zinc/70/28/83/805702883.db2.gz BBNLMUJNODVEDB-JHJVBQTASA-N 2 2 287.379 -0.008 20 0 CBADLP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCF)C[C@H]1O ZINC001077235948 805702890 /nfs/dbraw/zinc/70/28/90/805702890.db2.gz BBNLMUJNODVEDB-JHJVBQTASA-N 2 2 287.379 -0.008 20 0 CBADLP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCCF)C[C@H]1O ZINC001077235948 805702897 /nfs/dbraw/zinc/70/28/97/805702897.db2.gz BBNLMUJNODVEDB-JHJVBQTASA-N 2 2 287.379 -0.008 20 0 CBADLP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCCF)C[C@H]1O ZINC001077235948 805702898 /nfs/dbraw/zinc/70/28/98/805702898.db2.gz BBNLMUJNODVEDB-JHJVBQTASA-N 2 2 287.379 -0.008 20 0 CBADLP CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001077274817 805709696 /nfs/dbraw/zinc/70/96/96/805709696.db2.gz FKYXNDAVTJELFR-VXGBXAGGSA-N 2 2 282.344 -0.469 20 0 CBADLP CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001077274817 805709699 /nfs/dbraw/zinc/70/96/99/805709699.db2.gz FKYXNDAVTJELFR-VXGBXAGGSA-N 2 2 282.344 -0.469 20 0 CBADLP C[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001077685414 805765996 /nfs/dbraw/zinc/76/59/96/805765996.db2.gz PXXBNDBNZJIWPO-YNEHKIRRSA-N 2 2 299.415 -0.740 20 0 CBADLP C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001077685414 805766010 /nfs/dbraw/zinc/76/60/10/805766010.db2.gz PXXBNDBNZJIWPO-YNEHKIRRSA-N 2 2 299.415 -0.740 20 0 CBADLP C[C@H](O)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001077685414 805766018 /nfs/dbraw/zinc/76/60/18/805766018.db2.gz PXXBNDBNZJIWPO-YNEHKIRRSA-N 2 2 299.415 -0.740 20 0 CBADLP C[C@H](O)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001077685414 805766029 /nfs/dbraw/zinc/76/60/29/805766029.db2.gz PXXBNDBNZJIWPO-YNEHKIRRSA-N 2 2 299.415 -0.740 20 0 CBADLP CC1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCCO)C[C@H]2O)CC1 ZINC001077893019 805803795 /nfs/dbraw/zinc/80/37/95/805803795.db2.gz VXNYZDQYCASHIK-ZIAGYGMSSA-N 2 2 299.415 -0.738 20 0 CBADLP CC1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)CC1 ZINC001077893019 805803805 /nfs/dbraw/zinc/80/38/05/805803805.db2.gz VXNYZDQYCASHIK-ZIAGYGMSSA-N 2 2 299.415 -0.738 20 0 CBADLP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CCF)C[C@H]2O)C1 ZINC001078005922 805819397 /nfs/dbraw/zinc/81/93/97/805819397.db2.gz MWHVRSLIKQNIHP-IJLUTSLNSA-N 2 2 273.352 -0.541 20 0 CBADLP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CCF)C[C@H]2O)C1 ZINC001078005922 805819404 /nfs/dbraw/zinc/81/94/04/805819404.db2.gz MWHVRSLIKQNIHP-IJLUTSLNSA-N 2 2 273.352 -0.541 20 0 CBADLP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@H+](CCF)C[C@H]2O)C1 ZINC001078005922 805819411 /nfs/dbraw/zinc/81/94/11/805819411.db2.gz MWHVRSLIKQNIHP-IJLUTSLNSA-N 2 2 273.352 -0.541 20 0 CBADLP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@@H+](CCF)C[C@H]2O)C1 ZINC001078005922 805819418 /nfs/dbraw/zinc/81/94/18/805819418.db2.gz MWHVRSLIKQNIHP-IJLUTSLNSA-N 2 2 273.352 -0.541 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@H+](CC2CC2)C[C@H]1O ZINC001078008853 805821333 /nfs/dbraw/zinc/82/13/33/805821333.db2.gz ZWLGONGPCQQXSW-CHWSQXEVSA-N 2 2 278.356 -0.466 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@H]1O ZINC001078008853 805821342 /nfs/dbraw/zinc/82/13/42/805821342.db2.gz ZWLGONGPCQQXSW-CHWSQXEVSA-N 2 2 278.356 -0.466 20 0 CBADLP CCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)Cc1c[nH+]cn1C ZINC001147914651 814925806 /nfs/dbraw/zinc/92/58/06/814925806.db2.gz DZVIUGUKMXROKH-LLVKDONJSA-N 2 2 295.387 -0.417 20 0 CBADLP NC(=O)C[NH2+][C@@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C12CCC2 ZINC001078761811 805889632 /nfs/dbraw/zinc/88/96/32/805889632.db2.gz RDSFKDGZWHXYFE-NXEZZACHSA-N 2 2 291.355 -0.546 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1C[C@@H]([NH2+]CCO)C12CCC2 ZINC001078761475 805891080 /nfs/dbraw/zinc/89/10/80/805891080.db2.gz MKUWFFFCUYNDPC-GHMZBOCLSA-N 2 2 278.356 -0.039 20 0 CBADLP C[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001079991173 805954518 /nfs/dbraw/zinc/95/45/18/805954518.db2.gz YFDMYZWUNJRGJB-FRRDWIJNSA-N 2 2 292.383 -0.126 20 0 CBADLP C[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001079993598 805954655 /nfs/dbraw/zinc/95/46/55/805954655.db2.gz RMIGFACFTXHIDK-YRGRVCCFSA-N 2 2 292.383 -0.126 20 0 CBADLP C[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001079993598 805954659 /nfs/dbraw/zinc/95/46/59/805954659.db2.gz RMIGFACFTXHIDK-YRGRVCCFSA-N 2 2 292.383 -0.126 20 0 CBADLP C[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001079991173 805954523 /nfs/dbraw/zinc/95/45/23/805954523.db2.gz YFDMYZWUNJRGJB-FRRDWIJNSA-N 2 2 292.383 -0.126 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001080782444 806010377 /nfs/dbraw/zinc/01/03/77/806010377.db2.gz KTMLHRYQOYBLPT-CKYFFXLPSA-N 2 2 293.371 -0.727 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001080782444 806010385 /nfs/dbraw/zinc/01/03/85/806010385.db2.gz KTMLHRYQOYBLPT-CKYFFXLPSA-N 2 2 293.371 -0.727 20 0 CBADLP C[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001081036903 806023022 /nfs/dbraw/zinc/02/30/22/806023022.db2.gz FCUKLIXLQSPEEE-IJLUTSLNSA-N 2 2 266.345 -0.300 20 0 CBADLP C[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001081036903 806023030 /nfs/dbraw/zinc/02/30/30/806023030.db2.gz FCUKLIXLQSPEEE-IJLUTSLNSA-N 2 2 266.345 -0.300 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001081038011 806026324 /nfs/dbraw/zinc/02/63/24/806026324.db2.gz KGVSEHNCIRHGAX-GRYCIOLGSA-N 2 2 293.371 -0.546 20 0 CBADLP CNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001081038011 806026333 /nfs/dbraw/zinc/02/63/33/806026333.db2.gz KGVSEHNCIRHGAX-GRYCIOLGSA-N 2 2 293.371 -0.546 20 0 CBADLP COCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)[C@H](OC)C1 ZINC001081855502 806127869 /nfs/dbraw/zinc/12/78/69/806127869.db2.gz HNUWNESKUBTTGT-HZSPNIEDSA-N 2 2 299.415 -0.068 20 0 CBADLP COCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)[C@H](OC)C1 ZINC001081855502 806127876 /nfs/dbraw/zinc/12/78/76/806127876.db2.gz HNUWNESKUBTTGT-HZSPNIEDSA-N 2 2 299.415 -0.068 20 0 CBADLP COCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@H](OC)C1 ZINC001081855502 806127856 /nfs/dbraw/zinc/12/78/56/806127856.db2.gz HNUWNESKUBTTGT-HZSPNIEDSA-N 2 2 299.415 -0.068 20 0 CBADLP COCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@H](OC)C1 ZINC001081855502 806127861 /nfs/dbraw/zinc/12/78/61/806127861.db2.gz HNUWNESKUBTTGT-HZSPNIEDSA-N 2 2 299.415 -0.068 20 0 CBADLP COCC[N@@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@H](OC)C1 ZINC001082327430 806163586 /nfs/dbraw/zinc/16/35/86/806163586.db2.gz SRBYGSKKJTUMPO-CHWSQXEVSA-N 2 2 296.371 -0.576 20 0 CBADLP COCC[N@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@H](OC)C1 ZINC001082327430 806163592 /nfs/dbraw/zinc/16/35/92/806163592.db2.gz SRBYGSKKJTUMPO-CHWSQXEVSA-N 2 2 296.371 -0.576 20 0 CBADLP C[C@@H]([NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C)C(N)=O ZINC001082492096 806182954 /nfs/dbraw/zinc/18/29/54/806182954.db2.gz FQQRADJLOSZNBS-GMTAPVOTSA-N 2 2 293.371 -0.347 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1[NH2+]CCO ZINC001082751482 806192814 /nfs/dbraw/zinc/19/28/14/806192814.db2.gz FXYXGCLRBVHNQS-FDYHWXHSSA-N 2 2 292.383 -0.048 20 0 CBADLP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001082766505 806193549 /nfs/dbraw/zinc/19/35/49/806193549.db2.gz AXXKEZYKWHBSBL-JFGNBEQYSA-N 2 2 266.345 -0.231 20 0 CBADLP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001082861205 806196788 /nfs/dbraw/zinc/19/67/88/806196788.db2.gz OCEQOBVESYHLIN-NQBHXWOUSA-N 2 2 280.372 -0.220 20 0 CBADLP COCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCC[NH+]3C)[C@H]2C1 ZINC001083023426 806215327 /nfs/dbraw/zinc/21/53/27/806215327.db2.gz BMQOCBAKKTVHRK-MELADBBJSA-N 2 2 297.399 -0.361 20 0 CBADLP COCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCC[NH+]3C)[C@H]2C1 ZINC001083023426 806215334 /nfs/dbraw/zinc/21/53/34/806215334.db2.gz BMQOCBAKKTVHRK-MELADBBJSA-N 2 2 297.399 -0.361 20 0 CBADLP COCC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CCC[N@@H+]3C)[C@H]2C1 ZINC001083023426 806215339 /nfs/dbraw/zinc/21/53/39/806215339.db2.gz BMQOCBAKKTVHRK-MELADBBJSA-N 2 2 297.399 -0.361 20 0 CBADLP COCC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CCC[N@H+]3C)[C@H]2C1 ZINC001083023426 806215344 /nfs/dbraw/zinc/21/53/44/806215344.db2.gz BMQOCBAKKTVHRK-MELADBBJSA-N 2 2 297.399 -0.361 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001083259958 806241732 /nfs/dbraw/zinc/24/17/32/806241732.db2.gz ZUCNZLAKOQCWJP-QWHCGFSZSA-N 2 2 294.355 -0.835 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001083259958 806241739 /nfs/dbraw/zinc/24/17/39/806241739.db2.gz ZUCNZLAKOQCWJP-QWHCGFSZSA-N 2 2 294.355 -0.835 20 0 CBADLP O=C(N[C@@H]1C[N@@H+](CCF)C[C@@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001083465422 806335223 /nfs/dbraw/zinc/33/52/23/806335223.db2.gz DOAWRHPNEVRRRA-XQQFMLRXSA-N 2 2 285.363 -0.541 20 0 CBADLP O=C(N[C@@H]1C[N@H+](CCF)C[C@@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001083465422 806335232 /nfs/dbraw/zinc/33/52/32/806335232.db2.gz DOAWRHPNEVRRRA-XQQFMLRXSA-N 2 2 285.363 -0.541 20 0 CBADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCF)C[C@@H]1O ZINC001083573203 806372298 /nfs/dbraw/zinc/37/22/98/806372298.db2.gz BBNLMUJNODVEDB-AGIUHOORSA-N 2 2 287.379 -0.008 20 0 CBADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCF)C[C@@H]1O ZINC001083573203 806372307 /nfs/dbraw/zinc/37/23/07/806372307.db2.gz BBNLMUJNODVEDB-AGIUHOORSA-N 2 2 287.379 -0.008 20 0 CBADLP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCF)C[C@@H]1O ZINC001083573203 806372315 /nfs/dbraw/zinc/37/23/15/806372315.db2.gz BBNLMUJNODVEDB-AGIUHOORSA-N 2 2 287.379 -0.008 20 0 CBADLP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCF)C[C@@H]1O ZINC001083573203 806372323 /nfs/dbraw/zinc/37/23/23/806372323.db2.gz BBNLMUJNODVEDB-AGIUHOORSA-N 2 2 287.379 -0.008 20 0 CBADLP CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)[C@@H](O)C1 ZINC001083583702 806373448 /nfs/dbraw/zinc/37/34/48/806373448.db2.gz OIQGCFTZSCBPGK-UTUOFQBUSA-N 2 2 278.356 -0.373 20 0 CBADLP CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)[C@@H](O)C1 ZINC001083583702 806373459 /nfs/dbraw/zinc/37/34/59/806373459.db2.gz OIQGCFTZSCBPGK-UTUOFQBUSA-N 2 2 278.356 -0.373 20 0 CBADLP CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)[C@@H](O)C1 ZINC001083583701 806374186 /nfs/dbraw/zinc/37/41/86/806374186.db2.gz OIQGCFTZSCBPGK-TUAOUCFPSA-N 2 2 278.356 -0.373 20 0 CBADLP CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)[C@@H](O)C1 ZINC001083583701 806374195 /nfs/dbraw/zinc/37/41/95/806374195.db2.gz OIQGCFTZSCBPGK-TUAOUCFPSA-N 2 2 278.356 -0.373 20 0 CBADLP CCC[N@H+]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@@H](O)C1 ZINC001083590696 806375308 /nfs/dbraw/zinc/37/53/08/806375308.db2.gz RFMBEBOJIIERQI-OLZOCXBDSA-N 2 2 296.371 -0.079 20 0 CBADLP CCC[N@@H+]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@@H](O)C1 ZINC001083590696 806375317 /nfs/dbraw/zinc/37/53/17/806375317.db2.gz RFMBEBOJIIERQI-OLZOCXBDSA-N 2 2 296.371 -0.079 20 0 CBADLP CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)[C@@H](O)C1 ZINC001083583393 806375559 /nfs/dbraw/zinc/37/55/59/806375559.db2.gz FEHUQXAGLPWCCI-UHTWSYAYSA-N 2 2 278.356 -0.373 20 0 CBADLP CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)[C@@H](O)C1 ZINC001083583393 806375570 /nfs/dbraw/zinc/37/55/70/806375570.db2.gz FEHUQXAGLPWCCI-UHTWSYAYSA-N 2 2 278.356 -0.373 20 0 CBADLP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001083733310 806416311 /nfs/dbraw/zinc/41/63/11/806416311.db2.gz JDSGENASCKKABY-NEPJUHHUSA-N 2 2 297.355 -0.892 20 0 CBADLP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001083733310 806416315 /nfs/dbraw/zinc/41/63/15/806416315.db2.gz JDSGENASCKKABY-NEPJUHHUSA-N 2 2 297.355 -0.892 20 0 CBADLP COCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001083781337 806429774 /nfs/dbraw/zinc/42/97/74/806429774.db2.gz CSKDOQPBUCPEEN-OLZOCXBDSA-N 2 2 299.415 -0.474 20 0 CBADLP COCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001083781337 806429779 /nfs/dbraw/zinc/42/97/79/806429779.db2.gz CSKDOQPBUCPEEN-OLZOCXBDSA-N 2 2 299.415 -0.474 20 0 CBADLP COCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001083781337 806429784 /nfs/dbraw/zinc/42/97/84/806429784.db2.gz CSKDOQPBUCPEEN-OLZOCXBDSA-N 2 2 299.415 -0.474 20 0 CBADLP COCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001083781337 806429790 /nfs/dbraw/zinc/42/97/90/806429790.db2.gz CSKDOQPBUCPEEN-OLZOCXBDSA-N 2 2 299.415 -0.474 20 0 CBADLP CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@@H](O)C1 ZINC001083789831 806433262 /nfs/dbraw/zinc/43/32/62/806433262.db2.gz YXXMZIAGLAXIBK-UZWSLXQKSA-N 2 2 278.356 -0.295 20 0 CBADLP CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@@H](O)C1 ZINC001083789831 806433268 /nfs/dbraw/zinc/43/32/68/806433268.db2.gz YXXMZIAGLAXIBK-UZWSLXQKSA-N 2 2 278.356 -0.295 20 0 CBADLP COCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](O)C1 ZINC001083888022 806454855 /nfs/dbraw/zinc/45/48/55/806454855.db2.gz WMSMRFJDHZLCDW-KGLIPLIRSA-N 2 2 299.415 -0.474 20 0 CBADLP COCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](O)C1 ZINC001083888022 806454861 /nfs/dbraw/zinc/45/48/61/806454861.db2.gz WMSMRFJDHZLCDW-KGLIPLIRSA-N 2 2 299.415 -0.474 20 0 CBADLP C[C@H](O)C[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](O)C1 ZINC001083887876 806456365 /nfs/dbraw/zinc/45/63/65/806456365.db2.gz PBNYSHMDQUPPKX-MJBXVCDLSA-N 2 2 299.415 -0.740 20 0 CBADLP C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](O)C1 ZINC001083887876 806456370 /nfs/dbraw/zinc/45/63/70/806456370.db2.gz PBNYSHMDQUPPKX-MJBXVCDLSA-N 2 2 299.415 -0.740 20 0 CBADLP CC[C@H](C[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1)OC ZINC001084115254 806491187 /nfs/dbraw/zinc/49/11/87/806491187.db2.gz CLWFKUXFJLFJBR-UPJWGTAASA-N 2 2 296.371 -0.531 20 0 CBADLP CC[C@H](C[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1)OC ZINC001084115254 806491194 /nfs/dbraw/zinc/49/11/94/806491194.db2.gz CLWFKUXFJLFJBR-UPJWGTAASA-N 2 2 296.371 -0.531 20 0 CBADLP CC[C@@H](C[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1)OC ZINC001084115255 806492041 /nfs/dbraw/zinc/49/20/41/806492041.db2.gz CLWFKUXFJLFJBR-XQQFMLRXSA-N 2 2 296.371 -0.531 20 0 CBADLP CC[C@@H](C[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1)OC ZINC001084115255 806492046 /nfs/dbraw/zinc/49/20/46/806492046.db2.gz CLWFKUXFJLFJBR-XQQFMLRXSA-N 2 2 296.371 -0.531 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)N1C[C@H]2CC[N@@H+](CCO)C[C@H]21 ZINC001084395456 806518545 /nfs/dbraw/zinc/51/85/45/806518545.db2.gz VQXLHLZPOKMUKQ-DGCLKSJQSA-N 2 2 278.356 -0.133 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)N1C[C@H]2CC[N@H+](CCO)C[C@H]21 ZINC001084395456 806518553 /nfs/dbraw/zinc/51/85/53/806518553.db2.gz VQXLHLZPOKMUKQ-DGCLKSJQSA-N 2 2 278.356 -0.133 20 0 CBADLP CN(C[C@H]1CC[N@@H+]1CCCO)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001085531189 806573001 /nfs/dbraw/zinc/57/30/01/806573001.db2.gz NOQZCWZHDBNZCO-OLZOCXBDSA-N 2 2 285.388 -0.768 20 0 CBADLP CN(C[C@H]1CC[N@H+]1CCCO)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001085531189 806573007 /nfs/dbraw/zinc/57/30/07/806573007.db2.gz NOQZCWZHDBNZCO-OLZOCXBDSA-N 2 2 285.388 -0.768 20 0 CBADLP CN(C[C@H]1CC[NH+]1CCCO)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001085531189 806573012 /nfs/dbraw/zinc/57/30/12/806573012.db2.gz NOQZCWZHDBNZCO-OLZOCXBDSA-N 2 2 285.388 -0.768 20 0 CBADLP CN(C[C@H]1CC[NH+]1CCCO)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001085531189 806573016 /nfs/dbraw/zinc/57/30/16/806573016.db2.gz NOQZCWZHDBNZCO-OLZOCXBDSA-N 2 2 285.388 -0.768 20 0 CBADLP COCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001085667206 806592575 /nfs/dbraw/zinc/59/25/75/806592575.db2.gz CQCMQCMZOCDXLZ-HZSPNIEDSA-N 2 2 299.415 -0.115 20 0 CBADLP COCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001085667206 806592584 /nfs/dbraw/zinc/59/25/84/806592584.db2.gz CQCMQCMZOCDXLZ-HZSPNIEDSA-N 2 2 299.415 -0.115 20 0 CBADLP COCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001085667206 806592589 /nfs/dbraw/zinc/59/25/89/806592589.db2.gz CQCMQCMZOCDXLZ-HZSPNIEDSA-N 2 2 299.415 -0.115 20 0 CBADLP COCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001085667206 806592594 /nfs/dbraw/zinc/59/25/94/806592594.db2.gz CQCMQCMZOCDXLZ-HZSPNIEDSA-N 2 2 299.415 -0.115 20 0 CBADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N(C)C[C@H]2CC[NH+]2CCO)C1 ZINC001085782241 806608108 /nfs/dbraw/zinc/60/81/08/806608108.db2.gz PQZWJMWDLGLTDC-ZIAGYGMSSA-N 2 2 299.415 -0.379 20 0 CBADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N(C)C[C@H]2CC[NH+]2CCO)C1 ZINC001085782241 806608112 /nfs/dbraw/zinc/60/81/12/806608112.db2.gz PQZWJMWDLGLTDC-ZIAGYGMSSA-N 2 2 299.415 -0.379 20 0 CBADLP CC(C)[NH+]1CCO[C@@H](C(=O)N(C)C[C@H]2CC[N@@H+]2CCO)C1 ZINC001085782241 806608116 /nfs/dbraw/zinc/60/81/16/806608116.db2.gz PQZWJMWDLGLTDC-ZIAGYGMSSA-N 2 2 299.415 -0.379 20 0 CBADLP CC(C)[NH+]1CCO[C@@H](C(=O)N(C)C[C@H]2CC[N@H+]2CCO)C1 ZINC001085782241 806608122 /nfs/dbraw/zinc/60/81/22/806608122.db2.gz PQZWJMWDLGLTDC-ZIAGYGMSSA-N 2 2 299.415 -0.379 20 0 CBADLP C[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001022977819 798871725 /nfs/dbraw/zinc/87/17/25/798871725.db2.gz BFBJGZZELXLZDP-GARJFASQSA-N 2 2 266.345 -0.420 20 0 CBADLP C[NH+]1CCC(C(=O)NC[C@@H]2CCCC[N@@H+]2CC(N)=O)CC1 ZINC001024634205 798944477 /nfs/dbraw/zinc/94/44/77/798944477.db2.gz SINLHCXCCLKXLR-ZDUSSCGKSA-N 2 2 296.415 -0.216 20 0 CBADLP C[NH+]1CCC(C(=O)NC[C@@H]2CCCC[N@H+]2CC(N)=O)CC1 ZINC001024634205 798944480 /nfs/dbraw/zinc/94/44/80/798944480.db2.gz SINLHCXCCLKXLR-ZDUSSCGKSA-N 2 2 296.415 -0.216 20 0 CBADLP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CCCC[NH+]2CC(N)=O)C1 ZINC001024800396 798948166 /nfs/dbraw/zinc/94/81/66/798948166.db2.gz DTZOUKQKYMKBFE-VXGBXAGGSA-N 2 2 282.388 -0.606 20 0 CBADLP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCCC[NH+]2CC(N)=O)C1 ZINC001024800396 798948169 /nfs/dbraw/zinc/94/81/69/798948169.db2.gz DTZOUKQKYMKBFE-VXGBXAGGSA-N 2 2 282.388 -0.606 20 0 CBADLP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CCCC[N@@H+]2CC(N)=O)C1 ZINC001024800396 798948173 /nfs/dbraw/zinc/94/81/73/798948173.db2.gz DTZOUKQKYMKBFE-VXGBXAGGSA-N 2 2 282.388 -0.606 20 0 CBADLP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CCCC[N@H+]2CC(N)=O)C1 ZINC001024800396 798948176 /nfs/dbraw/zinc/94/81/76/798948176.db2.gz DTZOUKQKYMKBFE-VXGBXAGGSA-N 2 2 282.388 -0.606 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2CC[C@@H]([NH2+]CCO)[C@H]2C1 ZINC001026366986 799001241 /nfs/dbraw/zinc/00/12/41/799001241.db2.gz RSQAOBLBBSTODP-WCFLWFBJSA-N 2 2 278.356 -0.229 20 0 CBADLP NC(=O)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]12 ZINC001026432324 799004084 /nfs/dbraw/zinc/00/40/84/799004084.db2.gz RIDAYDLXFFSDLJ-IJLUTSLNSA-N 2 2 291.355 -0.805 20 0 CBADLP NC(=O)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC001026432326 799004307 /nfs/dbraw/zinc/00/43/07/799004307.db2.gz RIDAYDLXFFSDLJ-SDDRHHMPSA-N 2 2 291.355 -0.805 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC1CCC([NH2+]CC(N)=O)CC1 ZINC001026598525 799011207 /nfs/dbraw/zinc/01/12/07/799011207.db2.gz LCMAUXJCOUWUFX-UHFFFAOYSA-N 2 2 293.371 -0.237 20 0 CBADLP NC(=O)C[NH2+]C1CCC(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001026613458 799011622 /nfs/dbraw/zinc/01/16/22/799011622.db2.gz LXCBZKMMVCFLHP-UHFFFAOYSA-N 2 2 279.344 -0.615 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@@H]([N@H+](C)CCO)C1 ZINC001027649757 799062841 /nfs/dbraw/zinc/06/28/41/799062841.db2.gz SHMUGDPFUGWQOZ-GFCCVEGCSA-N 2 2 280.372 -0.122 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@@H]([N@@H+](C)CCO)C1 ZINC001027649757 799062842 /nfs/dbraw/zinc/06/28/42/799062842.db2.gz SHMUGDPFUGWQOZ-GFCCVEGCSA-N 2 2 280.372 -0.122 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N1CCC[C@@H]([N@H+](C)CC(N)=O)C1 ZINC001027681941 799065470 /nfs/dbraw/zinc/06/54/70/799065470.db2.gz GCODGJMDHNYRHD-GFCCVEGCSA-N 2 2 293.371 -0.400 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N1CCC[C@@H]([N@@H+](C)CC(N)=O)C1 ZINC001027681941 799065474 /nfs/dbraw/zinc/06/54/74/799065474.db2.gz GCODGJMDHNYRHD-GFCCVEGCSA-N 2 2 293.371 -0.400 20 0 CBADLP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CC(N)=O ZINC001027917433 799092648 /nfs/dbraw/zinc/09/26/48/799092648.db2.gz AYYYUJNDFQPJEC-STQMWFEESA-N 2 2 296.415 -0.073 20 0 CBADLP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CC(N)=O ZINC001027917433 799092654 /nfs/dbraw/zinc/09/26/54/799092654.db2.gz AYYYUJNDFQPJEC-STQMWFEESA-N 2 2 296.415 -0.073 20 0 CBADLP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC(N)=O ZINC001027917433 799092660 /nfs/dbraw/zinc/09/26/60/799092660.db2.gz AYYYUJNDFQPJEC-STQMWFEESA-N 2 2 296.415 -0.073 20 0 CBADLP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC(N)=O ZINC001027917433 799092665 /nfs/dbraw/zinc/09/26/65/799092665.db2.gz AYYYUJNDFQPJEC-STQMWFEESA-N 2 2 296.415 -0.073 20 0 CBADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CC(N)=O ZINC001027878609 799094530 /nfs/dbraw/zinc/09/45/30/799094530.db2.gz FLFLEXHVDPSEEO-OLZOCXBDSA-N 2 2 296.415 -0.075 20 0 CBADLP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CC(N)=O ZINC001027878609 799094538 /nfs/dbraw/zinc/09/45/38/799094538.db2.gz FLFLEXHVDPSEEO-OLZOCXBDSA-N 2 2 296.415 -0.075 20 0 CBADLP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC(N)=O ZINC001027878609 799094546 /nfs/dbraw/zinc/09/45/46/799094546.db2.gz FLFLEXHVDPSEEO-OLZOCXBDSA-N 2 2 296.415 -0.075 20 0 CBADLP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CC(N)=O ZINC001027878609 799094554 /nfs/dbraw/zinc/09/45/54/799094554.db2.gz FLFLEXHVDPSEEO-OLZOCXBDSA-N 2 2 296.415 -0.075 20 0 CBADLP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CC(N)=O ZINC001027971760 799098994 /nfs/dbraw/zinc/09/89/94/799098994.db2.gz LSBMEJSRDCFVKH-NWDGAFQWSA-N 2 2 282.388 -0.463 20 0 CBADLP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CC(N)=O ZINC001027971760 799099000 /nfs/dbraw/zinc/09/90/00/799099000.db2.gz LSBMEJSRDCFVKH-NWDGAFQWSA-N 2 2 282.388 -0.463 20 0 CBADLP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC(N)=O ZINC001027971760 799099009 /nfs/dbraw/zinc/09/90/09/799099009.db2.gz LSBMEJSRDCFVKH-NWDGAFQWSA-N 2 2 282.388 -0.463 20 0 CBADLP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC(N)=O ZINC001027971760 799099017 /nfs/dbraw/zinc/09/90/17/799099017.db2.gz LSBMEJSRDCFVKH-NWDGAFQWSA-N 2 2 282.388 -0.463 20 0 CBADLP CNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001027972179 799100235 /nfs/dbraw/zinc/10/02/35/799100235.db2.gz RHIYWLNFZSQCSV-STQMWFEESA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001027972179 799100242 /nfs/dbraw/zinc/10/02/42/799100242.db2.gz RHIYWLNFZSQCSV-STQMWFEESA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001027972179 799100247 /nfs/dbraw/zinc/10/02/47/799100247.db2.gz RHIYWLNFZSQCSV-STQMWFEESA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001027972179 799100253 /nfs/dbraw/zinc/10/02/53/799100253.db2.gz RHIYWLNFZSQCSV-STQMWFEESA-N 2 2 296.415 -0.203 20 0 CBADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CC(N)=O ZINC001028335351 799124802 /nfs/dbraw/zinc/12/48/02/799124802.db2.gz SNFGUEVQYPNUOL-CHWSQXEVSA-N 2 2 296.415 -0.073 20 0 CBADLP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CC(N)=O ZINC001028335351 799124807 /nfs/dbraw/zinc/12/48/07/799124807.db2.gz SNFGUEVQYPNUOL-CHWSQXEVSA-N 2 2 296.415 -0.073 20 0 CBADLP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC(N)=O ZINC001028335351 799124812 /nfs/dbraw/zinc/12/48/12/799124812.db2.gz SNFGUEVQYPNUOL-CHWSQXEVSA-N 2 2 296.415 -0.073 20 0 CBADLP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CC(N)=O ZINC001028335351 799124815 /nfs/dbraw/zinc/12/48/15/799124815.db2.gz SNFGUEVQYPNUOL-CHWSQXEVSA-N 2 2 296.415 -0.073 20 0 CBADLP O=C(CCn1cc[nH+]c1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCO ZINC001029414415 799197604 /nfs/dbraw/zinc/19/76/04/799197604.db2.gz QRIXQQBORYANJO-BETUJISGSA-N 2 2 278.356 -0.059 20 0 CBADLP O=C(CCn1cc[nH+]c1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO ZINC001029414415 799197608 /nfs/dbraw/zinc/19/76/08/799197608.db2.gz QRIXQQBORYANJO-BETUJISGSA-N 2 2 278.356 -0.059 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCO ZINC001029606974 799204055 /nfs/dbraw/zinc/20/40/55/799204055.db2.gz IUIDONRPJHQGKU-TXEJJXNPSA-N 2 2 264.329 -0.449 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO ZINC001029606974 799204060 /nfs/dbraw/zinc/20/40/60/799204060.db2.gz IUIDONRPJHQGKU-TXEJJXNPSA-N 2 2 264.329 -0.449 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001030026222 799213276 /nfs/dbraw/zinc/21/32/76/799213276.db2.gz HLQYCNGTRIFGOW-UPJWGTAASA-N 2 2 296.415 -0.075 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001030026222 799213280 /nfs/dbraw/zinc/21/32/80/799213280.db2.gz HLQYCNGTRIFGOW-UPJWGTAASA-N 2 2 296.415 -0.075 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001030026222 799213285 /nfs/dbraw/zinc/21/32/85/799213285.db2.gz HLQYCNGTRIFGOW-UPJWGTAASA-N 2 2 296.415 -0.075 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001030026222 799213287 /nfs/dbraw/zinc/21/32/87/799213287.db2.gz HLQYCNGTRIFGOW-UPJWGTAASA-N 2 2 296.415 -0.075 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001030025763 799213646 /nfs/dbraw/zinc/21/36/46/799213646.db2.gz ZJTAIQXCGOAIKN-FRRDWIJNSA-N 2 2 296.415 -0.075 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001030025763 799213653 /nfs/dbraw/zinc/21/36/53/799213653.db2.gz ZJTAIQXCGOAIKN-FRRDWIJNSA-N 2 2 296.415 -0.075 20 0 CBADLP CC[C@@H](C(N)=O)[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001030025763 799213657 /nfs/dbraw/zinc/21/36/57/799213657.db2.gz ZJTAIQXCGOAIKN-FRRDWIJNSA-N 2 2 296.415 -0.075 20 0 CBADLP CC[C@@H](C(N)=O)[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001030025763 799213661 /nfs/dbraw/zinc/21/36/61/799213661.db2.gz ZJTAIQXCGOAIKN-FRRDWIJNSA-N 2 2 296.415 -0.075 20 0 CBADLP CC(C)C[NH+]1CC(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001030180293 799257219 /nfs/dbraw/zinc/25/72/19/799257219.db2.gz NVWALXACFSQQCT-GFCCVEGCSA-N 2 2 255.362 -0.227 20 0 CBADLP CC(C)C[NH+]1CC(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001030180293 799257223 /nfs/dbraw/zinc/25/72/23/799257223.db2.gz NVWALXACFSQQCT-GFCCVEGCSA-N 2 2 255.362 -0.227 20 0 CBADLP COCC[NH+]1CC(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001030321356 799295936 /nfs/dbraw/zinc/29/59/36/799295936.db2.gz HNLNEVZUFVFOJH-ZDUSSCGKSA-N 2 2 267.373 -0.225 20 0 CBADLP COCC[NH+]1CC(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001030321355 799296279 /nfs/dbraw/zinc/29/62/79/799296279.db2.gz HNLNEVZUFVFOJH-CYBMUJFWSA-N 2 2 267.373 -0.225 20 0 CBADLP CC[NH+]1CC(NC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001030347949 799300248 /nfs/dbraw/zinc/30/02/48/799300248.db2.gz QDXDPFDDZVJOPB-NWDGAFQWSA-N 2 2 253.346 -0.330 20 0 CBADLP CC[NH+]1CC(NC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001030347949 799300257 /nfs/dbraw/zinc/30/02/57/799300257.db2.gz QDXDPFDDZVJOPB-NWDGAFQWSA-N 2 2 253.346 -0.330 20 0 CBADLP CC[NH+]1CC(NC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001030347947 799300908 /nfs/dbraw/zinc/30/09/08/799300908.db2.gz QDXDPFDDZVJOPB-NEPJUHHUSA-N 2 2 253.346 -0.330 20 0 CBADLP CC[NH+]1CC(NC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001030347947 799300912 /nfs/dbraw/zinc/30/09/12/799300912.db2.gz QDXDPFDDZVJOPB-NEPJUHHUSA-N 2 2 253.346 -0.330 20 0 CBADLP O=C(NC1C[NH+](CCCO)C1)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001030705192 799364442 /nfs/dbraw/zinc/36/44/42/799364442.db2.gz PQVUFNFNSUNUBP-QRJNDHJOSA-N 2 2 295.383 -0.968 20 0 CBADLP O=C(NC1C[NH+](CCCO)C1)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001030705192 799364449 /nfs/dbraw/zinc/36/44/49/799364449.db2.gz PQVUFNFNSUNUBP-QRJNDHJOSA-N 2 2 295.383 -0.968 20 0 CBADLP CO[C@H](C)C[NH+]1CC(NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001030838126 799393552 /nfs/dbraw/zinc/39/35/52/799393552.db2.gz ACVRSRSKEMFLMP-OCCSQVGLSA-N 2 2 299.415 -0.069 20 0 CBADLP CO[C@H](C)C[NH+]1CC(NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001030838126 799393559 /nfs/dbraw/zinc/39/35/59/799393559.db2.gz ACVRSRSKEMFLMP-OCCSQVGLSA-N 2 2 299.415 -0.069 20 0 CBADLP COC[C@@H](C)[NH+]1CC(NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001030839715 799394690 /nfs/dbraw/zinc/39/46/90/799394690.db2.gz QZYSVWVOHZCLKR-TZMCWYRMSA-N 2 2 299.415 -0.069 20 0 CBADLP COC[C@@H](C)[NH+]1CC(NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001030839715 799394694 /nfs/dbraw/zinc/39/46/94/799394694.db2.gz QZYSVWVOHZCLKR-TZMCWYRMSA-N 2 2 299.415 -0.069 20 0 CBADLP CC(C)[N@H+]1CCO[C@@H](C(=O)NC2C[NH+](C[C@@H](C)O)C2)C1 ZINC001030839376 799395053 /nfs/dbraw/zinc/39/50/53/799395053.db2.gz KBMHBLMOSRGABB-DGCLKSJQSA-N 2 2 285.388 -0.723 20 0 CBADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)NC2C[NH+](C[C@@H](C)O)C2)C1 ZINC001030839376 799395061 /nfs/dbraw/zinc/39/50/61/799395061.db2.gz KBMHBLMOSRGABB-DGCLKSJQSA-N 2 2 285.388 -0.723 20 0 CBADLP C[C@@H](O)C[NH+]1CC(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001030843900 799395959 /nfs/dbraw/zinc/39/59/59/799395959.db2.gz AANQPYCNSBSLBS-TUAOUCFPSA-N 2 2 269.389 -0.102 20 0 CBADLP C[C@@H](O)C[NH+]1CC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001030843900 799395963 /nfs/dbraw/zinc/39/59/63/799395963.db2.gz AANQPYCNSBSLBS-TUAOUCFPSA-N 2 2 269.389 -0.102 20 0 CBADLP C[C@H](O)C[NH+]1CC(NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001030956167 799416399 /nfs/dbraw/zinc/41/63/99/799416399.db2.gz UNDDTVKZALAPNJ-MNOVXSKESA-N 2 2 255.362 -0.348 20 0 CBADLP C[C@H](O)C[NH+]1CC(NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001030956167 799416403 /nfs/dbraw/zinc/41/64/03/799416403.db2.gz UNDDTVKZALAPNJ-MNOVXSKESA-N 2 2 255.362 -0.348 20 0 CBADLP C[C@@H](O)C[NH+]1CC(NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001030959191 799417076 /nfs/dbraw/zinc/41/70/76/799417076.db2.gz FIOJWWXVUWOZBS-WDEREUQCSA-N 2 2 255.362 -0.491 20 0 CBADLP C[C@@H](O)C[NH+]1CC(NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001030959191 799417078 /nfs/dbraw/zinc/41/70/78/799417078.db2.gz FIOJWWXVUWOZBS-WDEREUQCSA-N 2 2 255.362 -0.491 20 0 CBADLP C[C@H](O)C[NH+]1CC(NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001030959190 799418534 /nfs/dbraw/zinc/41/85/34/799418534.db2.gz FIOJWWXVUWOZBS-QWRGUYRKSA-N 2 2 255.362 -0.491 20 0 CBADLP C[C@H](O)C[NH+]1CC(NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001030959190 799418540 /nfs/dbraw/zinc/41/85/40/799418540.db2.gz FIOJWWXVUWOZBS-QWRGUYRKSA-N 2 2 255.362 -0.491 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC1C[NH+](CCCO)C1 ZINC001030964861 799419960 /nfs/dbraw/zinc/41/99/60/799419960.db2.gz XDMWCAAZXCEAOJ-PWSUYJOCSA-N 2 2 255.362 -0.633 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1C[NH+](CCCO)C1 ZINC001030964861 799419965 /nfs/dbraw/zinc/41/99/65/799419965.db2.gz XDMWCAAZXCEAOJ-PWSUYJOCSA-N 2 2 255.362 -0.633 20 0 CBADLP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NC1C[NH+](CCn2cccn2)C1 ZINC001030964957 799420400 /nfs/dbraw/zinc/42/04/00/799420400.db2.gz XTLHPBPAPUWXGV-GXTWGEPZSA-N 2 2 291.399 -0.119 20 0 CBADLP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC1C[NH+](CCn2cccn2)C1 ZINC001030964957 799420403 /nfs/dbraw/zinc/42/04/03/799420403.db2.gz XTLHPBPAPUWXGV-GXTWGEPZSA-N 2 2 291.399 -0.119 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CC(=O)N2CCC2)C1 ZINC001031576850 799511099 /nfs/dbraw/zinc/51/10/99/799511099.db2.gz FVJRJRKKBZUFCW-CYBMUJFWSA-N 2 2 294.399 -0.639 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CC(=O)N2CCC2)C1 ZINC001031576850 799511100 /nfs/dbraw/zinc/51/11/00/799511100.db2.gz FVJRJRKKBZUFCW-CYBMUJFWSA-N 2 2 294.399 -0.639 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001031675071 799531517 /nfs/dbraw/zinc/53/15/17/799531517.db2.gz TZSMQAXKETXMFE-GXFFZTMASA-N 2 2 294.399 -0.750 20 0 CBADLP CNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001031681202 799532018 /nfs/dbraw/zinc/53/20/18/799532018.db2.gz IEWGIFLVSZTWSX-ZYHUDNBSSA-N 2 2 282.388 -0.879 20 0 CBADLP CNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001031681202 799532024 /nfs/dbraw/zinc/53/20/24/799532024.db2.gz IEWGIFLVSZTWSX-ZYHUDNBSSA-N 2 2 282.388 -0.879 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001031681349 799532366 /nfs/dbraw/zinc/53/23/66/799532366.db2.gz NRDPMCVBDCSDCG-JFGNBEQYSA-N 2 2 282.388 -0.752 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001031681349 799532369 /nfs/dbraw/zinc/53/23/69/799532369.db2.gz NRDPMCVBDCSDCG-JFGNBEQYSA-N 2 2 282.388 -0.752 20 0 CBADLP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001031714752 799536255 /nfs/dbraw/zinc/53/62/55/799536255.db2.gz MBAUOQULPRLXNT-AAEUAGOBSA-N 2 2 296.415 -0.217 20 0 CBADLP CCC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001031714752 799536257 /nfs/dbraw/zinc/53/62/57/799536257.db2.gz MBAUOQULPRLXNT-AAEUAGOBSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@H](O)C[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001031743977 799538944 /nfs/dbraw/zinc/53/89/44/799538944.db2.gz CQPXAYLTGLYJPW-MVWJERBFSA-N 2 2 278.356 -0.058 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CC(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001031812218 799548323 /nfs/dbraw/zinc/54/83/23/799548323.db2.gz RUAKNOKSRQROBA-LLVKDONJSA-N 2 2 294.399 -0.463 20 0 CBADLP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1C[NH+](CC(=O)N(C)C)C1 ZINC001031976260 799567982 /nfs/dbraw/zinc/56/79/82/799567982.db2.gz HYPNWEDTOZPOOE-WCQYABFASA-N 2 2 296.415 -0.680 20 0 CBADLP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1C[NH+](CC(=O)N(C)C)C1 ZINC001031976260 799567987 /nfs/dbraw/zinc/56/79/87/799567987.db2.gz HYPNWEDTOZPOOE-WCQYABFASA-N 2 2 296.415 -0.680 20 0 CBADLP Cn1cncc1C[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001032182568 799589989 /nfs/dbraw/zinc/58/99/89/799589989.db2.gz NRVBDYSOROOSCH-ZDUSSCGKSA-N 2 2 291.399 -0.080 20 0 CBADLP Cn1cncc1C[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001032182568 799589993 /nfs/dbraw/zinc/58/99/93/799589993.db2.gz NRVBDYSOROOSCH-ZDUSSCGKSA-N 2 2 291.399 -0.080 20 0 CBADLP C[N@@H+]1CC[C@H](C(=O)NCC2C[NH+](CC(=O)N3CCC3)C2)C1 ZINC001032182180 799591019 /nfs/dbraw/zinc/59/10/19/799591019.db2.gz GGAQZNYJRFSUFM-ZDUSSCGKSA-N 2 2 294.399 -0.782 20 0 CBADLP C[N@H+]1CC[C@H](C(=O)NCC2C[NH+](CC(=O)N3CCC3)C2)C1 ZINC001032182180 799591021 /nfs/dbraw/zinc/59/10/21/799591021.db2.gz GGAQZNYJRFSUFM-ZDUSSCGKSA-N 2 2 294.399 -0.782 20 0 CBADLP CN(C)C(=O)C[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001032182541 799591110 /nfs/dbraw/zinc/59/11/10/799591110.db2.gz NBKGHLOKXVGHFL-LBPRGKRZSA-N 2 2 282.388 -0.926 20 0 CBADLP CN(C)C(=O)C[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001032182541 799591113 /nfs/dbraw/zinc/59/11/13/799591113.db2.gz NBKGHLOKXVGHFL-LBPRGKRZSA-N 2 2 282.388 -0.926 20 0 CBADLP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](CC(=O)NC)C1 ZINC001032205784 799593090 /nfs/dbraw/zinc/59/30/90/799593090.db2.gz IYJPBLIDPSXQGP-ZDUSSCGKSA-N 2 2 296.415 -0.345 20 0 CBADLP CC[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](CC(=O)NC)C1 ZINC001032205784 799593093 /nfs/dbraw/zinc/59/30/93/799593093.db2.gz IYJPBLIDPSXQGP-ZDUSSCGKSA-N 2 2 296.415 -0.345 20 0 CBADLP COCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+](C)CCO1 ZINC001032331530 799614328 /nfs/dbraw/zinc/61/43/28/799614328.db2.gz DETZULJUHYCEDH-RWMBFGLXSA-N 2 2 283.372 -0.752 20 0 CBADLP COCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+](C)CCO1 ZINC001032331530 799614334 /nfs/dbraw/zinc/61/43/34/799614334.db2.gz DETZULJUHYCEDH-RWMBFGLXSA-N 2 2 283.372 -0.752 20 0 CBADLP COCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001032331530 799614338 /nfs/dbraw/zinc/61/43/38/799614338.db2.gz DETZULJUHYCEDH-RWMBFGLXSA-N 2 2 283.372 -0.752 20 0 CBADLP COCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001032331530 799614343 /nfs/dbraw/zinc/61/43/43/799614343.db2.gz DETZULJUHYCEDH-RWMBFGLXSA-N 2 2 283.372 -0.752 20 0 CBADLP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H](CC)C(N)=O)[NH+](C)C ZINC001032633717 799651393 /nfs/dbraw/zinc/65/13/93/799651393.db2.gz UMLIHKQWJLILRM-CYDGBPFRSA-N 2 2 296.415 -0.124 20 0 CBADLP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H](CC)C(N)=O)[NH+](C)C ZINC001032633717 799651397 /nfs/dbraw/zinc/65/13/97/799651397.db2.gz UMLIHKQWJLILRM-CYDGBPFRSA-N 2 2 296.415 -0.124 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[C@H]1C[N@H+]2CCCO ZINC001032814586 799670140 /nfs/dbraw/zinc/67/01/40/799670140.db2.gz FHPGVICUHDYULQ-RYUDHWBXSA-N 2 2 264.329 -0.449 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCO ZINC001032814586 799670146 /nfs/dbraw/zinc/67/01/46/799670146.db2.gz FHPGVICUHDYULQ-RYUDHWBXSA-N 2 2 264.329 -0.449 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H]1CCNC1=O ZINC001032815355 799670669 /nfs/dbraw/zinc/67/06/69/799670669.db2.gz UGCKKPUMYDBJHS-SDDRHHMPSA-N 2 2 289.339 -0.943 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCNC1=O ZINC001032815355 799670672 /nfs/dbraw/zinc/67/06/72/799670672.db2.gz UGCKKPUMYDBJHS-SDDRHHMPSA-N 2 2 289.339 -0.943 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001032829847 799674199 /nfs/dbraw/zinc/67/41/99/799674199.db2.gz JNEZBMKTDTWULS-XQQFMLRXSA-N 2 2 296.415 -0.075 20 0 CBADLP CC[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001032829847 799674203 /nfs/dbraw/zinc/67/42/03/799674203.db2.gz JNEZBMKTDTWULS-XQQFMLRXSA-N 2 2 296.415 -0.075 20 0 CBADLP CC[C@H](C(N)=O)[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001032829847 799674206 /nfs/dbraw/zinc/67/42/06/799674206.db2.gz JNEZBMKTDTWULS-XQQFMLRXSA-N 2 2 296.415 -0.075 20 0 CBADLP CC[C@H](C(N)=O)[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001032829847 799674207 /nfs/dbraw/zinc/67/42/07/799674207.db2.gz JNEZBMKTDTWULS-XQQFMLRXSA-N 2 2 296.415 -0.075 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001032828388 799674566 /nfs/dbraw/zinc/67/45/66/799674566.db2.gz UPRYPCMWESRQCZ-QJPTWQEYSA-N 2 2 282.388 -0.465 20 0 CBADLP CC[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001032828388 799674570 /nfs/dbraw/zinc/67/45/70/799674570.db2.gz UPRYPCMWESRQCZ-QJPTWQEYSA-N 2 2 282.388 -0.465 20 0 CBADLP CC[C@H](C(N)=O)[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001032828388 799674576 /nfs/dbraw/zinc/67/45/76/799674576.db2.gz UPRYPCMWESRQCZ-QJPTWQEYSA-N 2 2 282.388 -0.465 20 0 CBADLP CC[C@H](C(N)=O)[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001032828388 799674582 /nfs/dbraw/zinc/67/45/82/799674582.db2.gz UPRYPCMWESRQCZ-QJPTWQEYSA-N 2 2 282.388 -0.465 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001032828339 799674634 /nfs/dbraw/zinc/67/46/34/799674634.db2.gz JGDODAJQHWXLFO-GARJFASQSA-N 2 2 268.361 -0.855 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001032828339 799674638 /nfs/dbraw/zinc/67/46/38/799674638.db2.gz JGDODAJQHWXLFO-GARJFASQSA-N 2 2 268.361 -0.855 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001032828339 799674643 /nfs/dbraw/zinc/67/46/43/799674643.db2.gz JGDODAJQHWXLFO-GARJFASQSA-N 2 2 268.361 -0.855 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001032828339 799674645 /nfs/dbraw/zinc/67/46/45/799674645.db2.gz JGDODAJQHWXLFO-GARJFASQSA-N 2 2 268.361 -0.855 20 0 CBADLP CN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)[C@H]3CCC[NH+]3C)C2)C1=O ZINC001032828304 799674906 /nfs/dbraw/zinc/67/49/06/799674906.db2.gz BORZWVVHZKMDJC-YNEHKIRRSA-N 2 2 294.399 -0.498 20 0 CBADLP CN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)[C@H]3CCC[NH+]3C)C2)C1=O ZINC001032828304 799674909 /nfs/dbraw/zinc/67/49/09/799674909.db2.gz BORZWVVHZKMDJC-YNEHKIRRSA-N 2 2 294.399 -0.498 20 0 CBADLP CN1CC[C@@H]([NH+]2CC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)C1=O ZINC001032828304 799674912 /nfs/dbraw/zinc/67/49/12/799674912.db2.gz BORZWVVHZKMDJC-YNEHKIRRSA-N 2 2 294.399 -0.498 20 0 CBADLP CN1CC[C@@H]([NH+]2CC[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)C1=O ZINC001032828304 799674916 /nfs/dbraw/zinc/67/49/16/799674916.db2.gz BORZWVVHZKMDJC-YNEHKIRRSA-N 2 2 294.399 -0.498 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001032838266 799677744 /nfs/dbraw/zinc/67/77/44/799677744.db2.gz CDMCZOZHSZKRSF-QJPTWQEYSA-N 2 2 282.388 -0.594 20 0 CBADLP CNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001032838266 799677748 /nfs/dbraw/zinc/67/77/48/799677748.db2.gz CDMCZOZHSZKRSF-QJPTWQEYSA-N 2 2 282.388 -0.594 20 0 CBADLP CNC(=O)[C@H](C)[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001032838266 799677754 /nfs/dbraw/zinc/67/77/54/799677754.db2.gz CDMCZOZHSZKRSF-QJPTWQEYSA-N 2 2 282.388 -0.594 20 0 CBADLP CNC(=O)[C@H](C)[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001032838266 799677757 /nfs/dbraw/zinc/67/77/57/799677757.db2.gz CDMCZOZHSZKRSF-QJPTWQEYSA-N 2 2 282.388 -0.594 20 0 CBADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+]([C@H]2CCNC2=O)C1 ZINC001032839598 799678135 /nfs/dbraw/zinc/67/81/35/799678135.db2.gz DEEMBFYYFBEIAT-AGIUHOORSA-N 2 2 294.399 -0.450 20 0 CBADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+]([C@H]2CCNC2=O)C1 ZINC001032839598 799678137 /nfs/dbraw/zinc/67/81/37/799678137.db2.gz DEEMBFYYFBEIAT-AGIUHOORSA-N 2 2 294.399 -0.450 20 0 CBADLP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001032839598 799678139 /nfs/dbraw/zinc/67/81/39/799678139.db2.gz DEEMBFYYFBEIAT-AGIUHOORSA-N 2 2 294.399 -0.450 20 0 CBADLP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001032839598 799678140 /nfs/dbraw/zinc/67/81/40/799678140.db2.gz DEEMBFYYFBEIAT-AGIUHOORSA-N 2 2 294.399 -0.450 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001032838265 799678224 /nfs/dbraw/zinc/67/82/24/799678224.db2.gz CDMCZOZHSZKRSF-IJLUTSLNSA-N 2 2 282.388 -0.594 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001032838265 799678226 /nfs/dbraw/zinc/67/82/26/799678226.db2.gz CDMCZOZHSZKRSF-IJLUTSLNSA-N 2 2 282.388 -0.594 20 0 CBADLP CNC(=O)[C@@H](C)[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001032838265 799678227 /nfs/dbraw/zinc/67/82/27/799678227.db2.gz CDMCZOZHSZKRSF-IJLUTSLNSA-N 2 2 282.388 -0.594 20 0 CBADLP CNC(=O)[C@@H](C)[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001032838265 799678229 /nfs/dbraw/zinc/67/82/29/799678229.db2.gz CDMCZOZHSZKRSF-IJLUTSLNSA-N 2 2 282.388 -0.594 20 0 CBADLP CN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)[C@H]3CCC[NH+]3C)C2)C1=O ZINC001032838260 799678244 /nfs/dbraw/zinc/67/82/44/799678244.db2.gz BORZWVVHZKMDJC-UPJWGTAASA-N 2 2 294.399 -0.498 20 0 CBADLP CN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)[C@H]3CCC[NH+]3C)C2)C1=O ZINC001032838260 799678245 /nfs/dbraw/zinc/67/82/45/799678245.db2.gz BORZWVVHZKMDJC-UPJWGTAASA-N 2 2 294.399 -0.498 20 0 CBADLP CN1CC[C@H]([NH+]2CC[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)C1=O ZINC001032838260 799678247 /nfs/dbraw/zinc/67/82/47/799678247.db2.gz BORZWVVHZKMDJC-UPJWGTAASA-N 2 2 294.399 -0.498 20 0 CBADLP CN1CC[C@H]([NH+]2CC[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)C1=O ZINC001032838260 799678248 /nfs/dbraw/zinc/67/82/48/799678248.db2.gz BORZWVVHZKMDJC-UPJWGTAASA-N 2 2 294.399 -0.498 20 0 CBADLP CN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)[C@H]3CCC[NH+]3C)C2)C1=O ZINC001032838259 799678344 /nfs/dbraw/zinc/67/83/44/799678344.db2.gz BORZWVVHZKMDJC-JHJVBQTASA-N 2 2 294.399 -0.498 20 0 CBADLP CN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)[C@H]3CCC[NH+]3C)C2)C1=O ZINC001032838259 799678345 /nfs/dbraw/zinc/67/83/45/799678345.db2.gz BORZWVVHZKMDJC-JHJVBQTASA-N 2 2 294.399 -0.498 20 0 CBADLP CN1CC[C@@H]([NH+]2CC[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)C1=O ZINC001032838259 799678350 /nfs/dbraw/zinc/67/83/50/799678350.db2.gz BORZWVVHZKMDJC-JHJVBQTASA-N 2 2 294.399 -0.498 20 0 CBADLP CN1CC[C@@H]([NH+]2CC[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)C1=O ZINC001032838259 799678353 /nfs/dbraw/zinc/67/83/53/799678353.db2.gz BORZWVVHZKMDJC-JHJVBQTASA-N 2 2 294.399 -0.498 20 0 CBADLP CN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001032967712 799698124 /nfs/dbraw/zinc/69/81/24/799698124.db2.gz KGWVLOMHODGVCU-WDEREUQCSA-N 2 2 268.361 -0.901 20 0 CBADLP CN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001032967712 799698128 /nfs/dbraw/zinc/69/81/28/799698128.db2.gz KGWVLOMHODGVCU-WDEREUQCSA-N 2 2 268.361 -0.901 20 0 CBADLP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](CC(N)=O)C1 ZINC001032967712 799698133 /nfs/dbraw/zinc/69/81/33/799698133.db2.gz KGWVLOMHODGVCU-WDEREUQCSA-N 2 2 268.361 -0.901 20 0 CBADLP CN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CC[NH+](CC(N)=O)C1 ZINC001032967712 799698137 /nfs/dbraw/zinc/69/81/37/799698137.db2.gz KGWVLOMHODGVCU-WDEREUQCSA-N 2 2 268.361 -0.901 20 0 CBADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001033073790 799713766 /nfs/dbraw/zinc/71/37/66/799713766.db2.gz SXRJOMJGEJQUNY-CHWSQXEVSA-N 2 2 296.415 -0.123 20 0 CBADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001033073790 799713770 /nfs/dbraw/zinc/71/37/70/799713770.db2.gz SXRJOMJGEJQUNY-CHWSQXEVSA-N 2 2 296.415 -0.123 20 0 CBADLP CC(C)[NH+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033073790 799713776 /nfs/dbraw/zinc/71/37/76/799713776.db2.gz SXRJOMJGEJQUNY-CHWSQXEVSA-N 2 2 296.415 -0.123 20 0 CBADLP CC(C)[NH+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033073790 799713780 /nfs/dbraw/zinc/71/37/80/799713780.db2.gz SXRJOMJGEJQUNY-CHWSQXEVSA-N 2 2 296.415 -0.123 20 0 CBADLP CN(C(=O)[C@H]1CCCC[NH+]1C)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033199780 799725743 /nfs/dbraw/zinc/72/57/43/799725743.db2.gz YFWSHAXPOLVFLF-VXGBXAGGSA-N 2 2 282.388 -0.511 20 0 CBADLP CN(C(=O)[C@H]1CCCC[NH+]1C)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033199780 799725747 /nfs/dbraw/zinc/72/57/47/799725747.db2.gz YFWSHAXPOLVFLF-VXGBXAGGSA-N 2 2 282.388 -0.511 20 0 CBADLP CN(C(=O)[C@H]1CCCC[N@@H+]1C)[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001033199780 799725750 /nfs/dbraw/zinc/72/57/50/799725750.db2.gz YFWSHAXPOLVFLF-VXGBXAGGSA-N 2 2 282.388 -0.511 20 0 CBADLP CN(C(=O)[C@H]1CCCC[N@H+]1C)[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001033199780 799725754 /nfs/dbraw/zinc/72/57/54/799725754.db2.gz YFWSHAXPOLVFLF-VXGBXAGGSA-N 2 2 282.388 -0.511 20 0 CBADLP CN(C(=O)[C@H]1CCc2c[nH+]cn2C1)[C@H]1CC[N@H+](CCO)C1 ZINC001033204643 799725899 /nfs/dbraw/zinc/72/58/99/799725899.db2.gz ZTFUCPASGVZSIJ-JSGCOSHPSA-N 2 2 292.383 -0.030 20 0 CBADLP CN(C(=O)[C@H]1CCc2c[nH+]cn2C1)[C@H]1CC[N@@H+](CCO)C1 ZINC001033204643 799725901 /nfs/dbraw/zinc/72/59/01/799725901.db2.gz ZTFUCPASGVZSIJ-JSGCOSHPSA-N 2 2 292.383 -0.030 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N(C)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033268513 799734826 /nfs/dbraw/zinc/73/48/26/799734826.db2.gz ZHXGCYVILOJEHZ-LLVKDONJSA-N 2 2 279.344 -0.790 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N(C)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033268513 799734832 /nfs/dbraw/zinc/73/48/32/799734832.db2.gz ZHXGCYVILOJEHZ-LLVKDONJSA-N 2 2 279.344 -0.790 20 0 CBADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CC[N@H+](CCCO)C1 ZINC001033456052 799756092 /nfs/dbraw/zinc/75/60/92/799756092.db2.gz QSLKKFUTZZWLOM-LBPRGKRZSA-N 2 2 266.345 -0.133 20 0 CBADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CC[N@@H+](CCCO)C1 ZINC001033456052 799756094 /nfs/dbraw/zinc/75/60/94/799756094.db2.gz QSLKKFUTZZWLOM-LBPRGKRZSA-N 2 2 266.345 -0.133 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001033454651 799757077 /nfs/dbraw/zinc/75/70/77/799757077.db2.gz FJTJPDCYZKMDKE-CMPLNLGQSA-N 2 2 293.371 -0.381 20 0 CBADLP CNC(=O)[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001033454651 799757082 /nfs/dbraw/zinc/75/70/82/799757082.db2.gz FJTJPDCYZKMDKE-CMPLNLGQSA-N 2 2 293.371 -0.381 20 0 CBADLP CN(C(=O)Cc1c[nH+]cn1C)[C@H]1CC[N@H+](CCCO)C1 ZINC001033594613 799769269 /nfs/dbraw/zinc/76/92/69/799769269.db2.gz OJYCGRGVLYMPDM-LBPRGKRZSA-N 2 2 280.372 -0.122 20 0 CBADLP CN(C(=O)Cc1c[nH+]cn1C)[C@H]1CC[N@@H+](CCCO)C1 ZINC001033594613 799769275 /nfs/dbraw/zinc/76/92/75/799769275.db2.gz OJYCGRGVLYMPDM-LBPRGKRZSA-N 2 2 280.372 -0.122 20 0 CBADLP CN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033657279 799776543 /nfs/dbraw/zinc/77/65/43/799776543.db2.gz IQGCMAYMVXTDDV-NSHDSACASA-N 2 2 268.361 -0.900 20 0 CBADLP CN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033657279 799776545 /nfs/dbraw/zinc/77/65/45/799776545.db2.gz IQGCMAYMVXTDDV-NSHDSACASA-N 2 2 268.361 -0.900 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001033704629 799782506 /nfs/dbraw/zinc/78/25/06/799782506.db2.gz YPQUUTQVVPBMAQ-RYUDHWBXSA-N 2 2 293.371 -0.450 20 0 CBADLP CNC(=O)[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001033704629 799782511 /nfs/dbraw/zinc/78/25/11/799782511.db2.gz YPQUUTQVVPBMAQ-RYUDHWBXSA-N 2 2 293.371 -0.450 20 0 CBADLP CCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033939799 799801071 /nfs/dbraw/zinc/80/10/71/799801071.db2.gz COODZEHSOUTPFS-ZDUSSCGKSA-N 2 2 296.415 -0.264 20 0 CBADLP CCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033939799 799801082 /nfs/dbraw/zinc/80/10/82/799801082.db2.gz COODZEHSOUTPFS-ZDUSSCGKSA-N 2 2 296.415 -0.264 20 0 CBADLP CCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001034017910 799806690 /nfs/dbraw/zinc/80/66/90/799806690.db2.gz VBLDVMWTGRUTTF-LBPRGKRZSA-N 2 2 294.399 -0.510 20 0 CBADLP CCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001034017910 799806696 /nfs/dbraw/zinc/80/66/96/799806696.db2.gz VBLDVMWTGRUTTF-LBPRGKRZSA-N 2 2 294.399 -0.510 20 0 CBADLP CNC(=O)C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001034129118 799815321 /nfs/dbraw/zinc/81/53/21/799815321.db2.gz AHHUXMGJSUMWPE-CHWSQXEVSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001034129118 799815325 /nfs/dbraw/zinc/81/53/25/799815325.db2.gz AHHUXMGJSUMWPE-CHWSQXEVSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001034129118 799815330 /nfs/dbraw/zinc/81/53/30/799815330.db2.gz AHHUXMGJSUMWPE-CHWSQXEVSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001034129118 799815332 /nfs/dbraw/zinc/81/53/32/799815332.db2.gz AHHUXMGJSUMWPE-CHWSQXEVSA-N 2 2 296.415 -0.203 20 0 CBADLP COCC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001034148933 799816344 /nfs/dbraw/zinc/81/63/44/799816344.db2.gz QPLSTWFLAVOODC-KBPBESRZSA-N 2 2 299.415 -0.066 20 0 CBADLP COCC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001034148933 799816352 /nfs/dbraw/zinc/81/63/52/799816352.db2.gz QPLSTWFLAVOODC-KBPBESRZSA-N 2 2 299.415 -0.066 20 0 CBADLP COCC[NH+]1CCCC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001034148933 799816360 /nfs/dbraw/zinc/81/63/60/799816360.db2.gz QPLSTWFLAVOODC-KBPBESRZSA-N 2 2 299.415 -0.066 20 0 CBADLP COCC[NH+]1CCCC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001034148933 799816364 /nfs/dbraw/zinc/81/63/64/799816364.db2.gz QPLSTWFLAVOODC-KBPBESRZSA-N 2 2 299.415 -0.066 20 0 CBADLP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CC(N)=O)C1 ZINC001034272828 799826944 /nfs/dbraw/zinc/82/69/44/799826944.db2.gz WYOCQACAIVCHDN-CHWSQXEVSA-N 2 2 296.415 -0.073 20 0 CBADLP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CC(N)=O)C1 ZINC001034272828 799826949 /nfs/dbraw/zinc/82/69/49/799826949.db2.gz WYOCQACAIVCHDN-CHWSQXEVSA-N 2 2 296.415 -0.073 20 0 CBADLP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](CC(N)=O)C1 ZINC001034272828 799826956 /nfs/dbraw/zinc/82/69/56/799826956.db2.gz WYOCQACAIVCHDN-CHWSQXEVSA-N 2 2 296.415 -0.073 20 0 CBADLP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](CC(N)=O)C1 ZINC001034272828 799826961 /nfs/dbraw/zinc/82/69/61/799826961.db2.gz WYOCQACAIVCHDN-CHWSQXEVSA-N 2 2 296.415 -0.073 20 0 CBADLP NC(=O)C[N@@H+]1CCCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001034528526 799846702 /nfs/dbraw/zinc/84/67/02/799846702.db2.gz OSUZBGLLUQNSKJ-LBPRGKRZSA-N 2 2 282.388 -0.462 20 0 CBADLP NC(=O)C[N@H+]1CCCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001034528526 799846712 /nfs/dbraw/zinc/84/67/12/799846712.db2.gz OSUZBGLLUQNSKJ-LBPRGKRZSA-N 2 2 282.388 -0.462 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CCCO)CCO1 ZINC001035313064 799886881 /nfs/dbraw/zinc/88/68/81/799886881.db2.gz MHDJAMHXTHMGHK-CHWSQXEVSA-N 2 2 285.388 -0.720 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CCCO)CCO1 ZINC001035313064 799886886 /nfs/dbraw/zinc/88/68/86/799886886.db2.gz MHDJAMHXTHMGHK-CHWSQXEVSA-N 2 2 285.388 -0.720 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CCCO)CCO1 ZINC001035313064 799886891 /nfs/dbraw/zinc/88/68/91/799886891.db2.gz MHDJAMHXTHMGHK-CHWSQXEVSA-N 2 2 285.388 -0.720 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CCCO)CCO1 ZINC001035313064 799886895 /nfs/dbraw/zinc/88/68/95/799886895.db2.gz MHDJAMHXTHMGHK-CHWSQXEVSA-N 2 2 285.388 -0.720 20 0 CBADLP CC(C)[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001035325493 799890862 /nfs/dbraw/zinc/89/08/62/799890862.db2.gz BDPGCHRDWHZFBB-OLZOCXBDSA-N 2 2 285.388 -0.458 20 0 CBADLP CC(C)[N@H+]1CCO[C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001035325493 799890869 /nfs/dbraw/zinc/89/08/69/799890869.db2.gz BDPGCHRDWHZFBB-OLZOCXBDSA-N 2 2 285.388 -0.458 20 0 CBADLP CC(C)[NH+]1CCO[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001035325493 799890876 /nfs/dbraw/zinc/89/08/76/799890876.db2.gz BDPGCHRDWHZFBB-OLZOCXBDSA-N 2 2 285.388 -0.458 20 0 CBADLP CC(C)[NH+]1CCO[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001035325493 799890881 /nfs/dbraw/zinc/89/08/81/799890881.db2.gz BDPGCHRDWHZFBB-OLZOCXBDSA-N 2 2 285.388 -0.458 20 0 CBADLP COCC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001035371578 799909343 /nfs/dbraw/zinc/90/93/43/799909343.db2.gz FVNKOYQQHFTBRW-MGPQQGTHSA-N 2 2 299.415 -0.210 20 0 CBADLP COCC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001035371578 799909351 /nfs/dbraw/zinc/90/93/51/799909351.db2.gz FVNKOYQQHFTBRW-MGPQQGTHSA-N 2 2 299.415 -0.210 20 0 CBADLP COCC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001035371578 799909359 /nfs/dbraw/zinc/90/93/59/799909359.db2.gz FVNKOYQQHFTBRW-MGPQQGTHSA-N 2 2 299.415 -0.210 20 0 CBADLP COCC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001035371578 799909365 /nfs/dbraw/zinc/90/93/65/799909365.db2.gz FVNKOYQQHFTBRW-MGPQQGTHSA-N 2 2 299.415 -0.210 20 0 CBADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](CCO)CCO2)CC[N@@H+]1C ZINC001035372003 799910921 /nfs/dbraw/zinc/91/09/21/799910921.db2.gz KCVMRHWAVXHBCM-JHJVBQTASA-N 2 2 285.388 -0.864 20 0 CBADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](CCO)CCO2)CC[N@H+]1C ZINC001035372003 799910924 /nfs/dbraw/zinc/91/09/24/799910924.db2.gz KCVMRHWAVXHBCM-JHJVBQTASA-N 2 2 285.388 -0.864 20 0 CBADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@H+](CCO)CCO2)CC[NH+]1C ZINC001035372003 799910928 /nfs/dbraw/zinc/91/09/28/799910928.db2.gz KCVMRHWAVXHBCM-JHJVBQTASA-N 2 2 285.388 -0.864 20 0 CBADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@@H+](CCO)CCO2)CC[NH+]1C ZINC001035372003 799910933 /nfs/dbraw/zinc/91/09/33/799910933.db2.gz KCVMRHWAVXHBCM-JHJVBQTASA-N 2 2 285.388 -0.864 20 0 CBADLP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH+](CCO)CCO1 ZINC001035390009 799912488 /nfs/dbraw/zinc/91/24/88/799912488.db2.gz UVHYSNPWHSCNOH-KBPBESRZSA-N 2 2 299.415 -0.330 20 0 CBADLP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH+](CCO)CCO1 ZINC001035390009 799912493 /nfs/dbraw/zinc/91/24/93/799912493.db2.gz UVHYSNPWHSCNOH-KBPBESRZSA-N 2 2 299.415 -0.330 20 0 CBADLP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001035390009 799912496 /nfs/dbraw/zinc/91/24/96/799912496.db2.gz UVHYSNPWHSCNOH-KBPBESRZSA-N 2 2 299.415 -0.330 20 0 CBADLP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001035390009 799912501 /nfs/dbraw/zinc/91/25/01/799912501.db2.gz UVHYSNPWHSCNOH-KBPBESRZSA-N 2 2 299.415 -0.330 20 0 CBADLP C[NH+]1CCC(C(=O)NC[C@H]2C[N@H+](CCO)CCO2)CC1 ZINC001035502136 799933585 /nfs/dbraw/zinc/93/35/85/799933585.db2.gz KZWCKUIANRXEPC-ZDUSSCGKSA-N 2 2 285.388 -0.863 20 0 CBADLP C[NH+]1CCC(C(=O)NC[C@H]2C[N@@H+](CCO)CCO2)CC1 ZINC001035502136 799933593 /nfs/dbraw/zinc/93/35/93/799933593.db2.gz KZWCKUIANRXEPC-ZDUSSCGKSA-N 2 2 285.388 -0.863 20 0 CBADLP CC[C@H](C(=O)N1CCC2(C[NH+](CC(N)=O)C2)CC1)[NH+](C)C ZINC001035732786 799962338 /nfs/dbraw/zinc/96/23/38/799962338.db2.gz GQNVSRXDSNHRCY-GFCCVEGCSA-N 2 2 296.415 -0.264 20 0 CBADLP C[N@@H+]1CC[C@@H](C(=O)N2CCC3(C[NH+](CC(N)=O)C3)CC2)C1 ZINC001035853488 799965159 /nfs/dbraw/zinc/96/51/59/799965159.db2.gz XKCHKEPAQHANCF-GFCCVEGCSA-N 2 2 294.399 -0.652 20 0 CBADLP C[N@H+]1CC[C@@H](C(=O)N2CCC3(C[NH+](CC(N)=O)C3)CC2)C1 ZINC001035853488 799965162 /nfs/dbraw/zinc/96/51/62/799965162.db2.gz XKCHKEPAQHANCF-GFCCVEGCSA-N 2 2 294.399 -0.652 20 0 CBADLP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[C@@H]1[NH2+]CC(N)=O ZINC001036044439 799975260 /nfs/dbraw/zinc/97/52/60/799975260.db2.gz BDKVTZDPAVFDFJ-PWSUYJOCSA-N 2 2 293.371 -0.346 20 0 CBADLP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[C@@H]1[NH2+]CC(N)=O ZINC001036044439 799975265 /nfs/dbraw/zinc/97/52/65/799975265.db2.gz BDKVTZDPAVFDFJ-PWSUYJOCSA-N 2 2 293.371 -0.346 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@H]2[C@H](CC[N@H+]2CCO)C1 ZINC001036854139 800009336 /nfs/dbraw/zinc/00/93/36/800009336.db2.gz GOHKCFOGJCGXAJ-NEPJUHHUSA-N 2 2 278.356 -0.133 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@H]2[C@H](CC[N@@H+]2CCO)C1 ZINC001036854139 800009343 /nfs/dbraw/zinc/00/93/43/800009343.db2.gz GOHKCFOGJCGXAJ-NEPJUHHUSA-N 2 2 278.356 -0.133 20 0 CBADLP CC[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@H]1[NH2+]CC(N)=O ZINC001037933012 800025531 /nfs/dbraw/zinc/02/55/31/800025531.db2.gz KEDWSCOPZVAMER-CMPLNLGQSA-N 2 2 293.371 -0.346 20 0 CBADLP COCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001038134125 800059748 /nfs/dbraw/zinc/05/97/48/800059748.db2.gz DYQMZZSZBNSYQB-NEPJUHHUSA-N 2 2 271.361 -0.846 20 0 CBADLP COCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001038134125 800059756 /nfs/dbraw/zinc/05/97/56/800059756.db2.gz DYQMZZSZBNSYQB-NEPJUHHUSA-N 2 2 271.361 -0.846 20 0 CBADLP COCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001038134125 800059764 /nfs/dbraw/zinc/05/97/64/800059764.db2.gz DYQMZZSZBNSYQB-NEPJUHHUSA-N 2 2 271.361 -0.846 20 0 CBADLP COCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001038134125 800059772 /nfs/dbraw/zinc/05/97/72/800059772.db2.gz DYQMZZSZBNSYQB-NEPJUHHUSA-N 2 2 271.361 -0.846 20 0 CBADLP COCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001038397743 800107244 /nfs/dbraw/zinc/10/72/44/800107244.db2.gz CCQFNAKRBSSBOY-FRRDWIJNSA-N 2 2 285.388 -0.458 20 0 CBADLP COCC[N@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001038397743 800107247 /nfs/dbraw/zinc/10/72/47/800107247.db2.gz CCQFNAKRBSSBOY-FRRDWIJNSA-N 2 2 285.388 -0.458 20 0 CBADLP COCC[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001038397743 800107252 /nfs/dbraw/zinc/10/72/52/800107252.db2.gz CCQFNAKRBSSBOY-FRRDWIJNSA-N 2 2 285.388 -0.458 20 0 CBADLP COCC[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001038397743 800107257 /nfs/dbraw/zinc/10/72/57/800107257.db2.gz CCQFNAKRBSSBOY-FRRDWIJNSA-N 2 2 285.388 -0.458 20 0 CBADLP C[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+]2[C@H]2CCNC2=O)CC1 ZINC001038663928 801233527 /nfs/dbraw/zinc/23/35/27/801233527.db2.gz RDROQILKDRAXQW-OLZOCXBDSA-N 2 2 294.399 -0.593 20 0 CBADLP C[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+]2[C@H]2CCNC2=O)CC1 ZINC001038663928 801233536 /nfs/dbraw/zinc/23/35/36/801233536.db2.gz RDROQILKDRAXQW-OLZOCXBDSA-N 2 2 294.399 -0.593 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001038926833 801268583 /nfs/dbraw/zinc/26/85/83/801268583.db2.gz RZFQOJXXFFSNJN-VXGBXAGGSA-N 2 2 294.399 -0.463 20 0 CBADLP CC[C@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001038926833 801268587 /nfs/dbraw/zinc/26/85/87/801268587.db2.gz RZFQOJXXFFSNJN-VXGBXAGGSA-N 2 2 294.399 -0.463 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[NH+]2CCOC)C1 ZINC001039041343 801285048 /nfs/dbraw/zinc/28/50/48/801285048.db2.gz XWVZBESPDNBQCL-OLZOCXBDSA-N 2 2 285.388 -0.456 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[NH+]2CCOC)C1 ZINC001039041343 801285056 /nfs/dbraw/zinc/28/50/56/801285056.db2.gz XWVZBESPDNBQCL-OLZOCXBDSA-N 2 2 285.388 -0.456 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)NC[C@H]2CC[N@@H+]2CCOC)C1 ZINC001039041343 801285060 /nfs/dbraw/zinc/28/50/60/801285060.db2.gz XWVZBESPDNBQCL-OLZOCXBDSA-N 2 2 285.388 -0.456 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)NC[C@H]2CC[N@H+]2CCOC)C1 ZINC001039041343 801285065 /nfs/dbraw/zinc/28/50/65/801285065.db2.gz XWVZBESPDNBQCL-OLZOCXBDSA-N 2 2 285.388 -0.456 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2CC[N@@H+](CCO)[C@H]2C1 ZINC001042251598 801454436 /nfs/dbraw/zinc/45/44/36/801454436.db2.gz ZVMNTOIHGGDQNE-YPMHNXCESA-N 2 2 278.356 -0.133 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2CC[N@H+](CCO)[C@H]2C1 ZINC001042251598 801454438 /nfs/dbraw/zinc/45/44/38/801454438.db2.gz ZVMNTOIHGGDQNE-YPMHNXCESA-N 2 2 278.356 -0.133 20 0 CBADLP CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1C[NH+](CCCO)C1 ZINC001042538760 801486293 /nfs/dbraw/zinc/48/62/93/801486293.db2.gz RSGWYVNEKWVMPV-LBPRGKRZSA-N 2 2 255.362 -0.394 20 0 CBADLP CN(C(=O)[C@@H]1CCC[N@H+]1C)C1C[NH+](CCCO)C1 ZINC001042538760 801486299 /nfs/dbraw/zinc/48/62/99/801486299.db2.gz RSGWYVNEKWVMPV-LBPRGKRZSA-N 2 2 255.362 -0.394 20 0 CBADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N(C)C2C[NH+](C[C@@H](C)O)C2)C1 ZINC001043629009 801580401 /nfs/dbraw/zinc/58/04/01/801580401.db2.gz NIHAKUZIJKMRFH-TZMCWYRMSA-N 2 2 299.415 -0.381 20 0 CBADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N(C)C2C[NH+](C[C@@H](C)O)C2)C1 ZINC001043629009 801580407 /nfs/dbraw/zinc/58/04/07/801580407.db2.gz NIHAKUZIJKMRFH-TZMCWYRMSA-N 2 2 299.415 -0.381 20 0 CBADLP C[C@@H]1C[C@@H]([NH2+]CC(N)=O)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001044623795 801660311 /nfs/dbraw/zinc/66/03/11/801660311.db2.gz DVHQUFNCAQEFQB-MNOVXSKESA-N 2 2 293.371 -0.203 20 0 CBADLP C[C@@H]1C[C@@H]([NH2+]CC(N)=O)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001044623795 801660316 /nfs/dbraw/zinc/66/03/16/801660316.db2.gz DVHQUFNCAQEFQB-MNOVXSKESA-N 2 2 293.371 -0.203 20 0 CBADLP C[C@H]1C[C@@H]([NH2+]CC(N)=O)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001044750458 801667537 /nfs/dbraw/zinc/66/75/37/801667537.db2.gz OQNYJFRQADMXPU-UWVGGRQHSA-N 2 2 279.344 -0.593 20 0 CBADLP C[C@H]1C[C@@H]([NH2+]CCO)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001044804819 801669944 /nfs/dbraw/zinc/66/99/44/801669944.db2.gz BJNBNTLKYWECTQ-QWRGUYRKSA-N 2 2 266.345 -0.086 20 0 CBADLP C[C@@H]1C[C@@H]([NH2+]CCO)CCN1C(=O)Cc1c[nH+]cn1C ZINC001044819849 801672048 /nfs/dbraw/zinc/67/20/48/801672048.db2.gz NBWOVSBAZYJEOE-NEPJUHHUSA-N 2 2 280.372 -0.076 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CCC[C@H]1C[NH2+][C@H]1CCNC1=O ZINC001045329286 801692550 /nfs/dbraw/zinc/69/25/50/801692550.db2.gz FQPBGNKUGPYZPL-RYUDHWBXSA-N 2 2 291.355 -0.648 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)NC2(C)CC[NH+](CCCO)CC2)C1 ZINC001045397403 801695553 /nfs/dbraw/zinc/69/55/53/801695553.db2.gz ADLZYNMLISPOJO-ZDUSSCGKSA-N 2 2 299.415 -0.330 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)NC2(C)CC[NH+](CCCO)CC2)C1 ZINC001045397403 801695557 /nfs/dbraw/zinc/69/55/57/801695557.db2.gz ADLZYNMLISPOJO-ZDUSSCGKSA-N 2 2 299.415 -0.330 20 0 CBADLP COCC[NH+]1CCC(C)(NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001045397422 801695943 /nfs/dbraw/zinc/69/59/43/801695943.db2.gz BKIYPSZYXZPISC-CYBMUJFWSA-N 2 2 299.415 -0.066 20 0 CBADLP COCC[NH+]1CCC(C)(NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001045397422 801695948 /nfs/dbraw/zinc/69/59/48/801695948.db2.gz BKIYPSZYXZPISC-CYBMUJFWSA-N 2 2 299.415 -0.066 20 0 CBADLP C[C@H](O)C[NH+]1CCC(C)(NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001045398076 801696231 /nfs/dbraw/zinc/69/62/31/801696231.db2.gz TYUKWBZQNIBFJK-STQMWFEESA-N 2 2 299.415 -0.332 20 0 CBADLP C[C@H](O)C[NH+]1CCC(C)(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001045398076 801696234 /nfs/dbraw/zinc/69/62/34/801696234.db2.gz TYUKWBZQNIBFJK-STQMWFEESA-N 2 2 299.415 -0.332 20 0 CBADLP COCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001046215008 801740340 /nfs/dbraw/zinc/74/03/40/801740340.db2.gz KPXYWHBVTFHXLF-JSGCOSHPSA-N 2 2 285.388 -0.456 20 0 CBADLP COCC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001046215008 801740342 /nfs/dbraw/zinc/74/03/42/801740342.db2.gz KPXYWHBVTFHXLF-JSGCOSHPSA-N 2 2 285.388 -0.456 20 0 CBADLP COCC[NH+]1CC[C@](C)(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001046215008 801740345 /nfs/dbraw/zinc/74/03/45/801740345.db2.gz KPXYWHBVTFHXLF-JSGCOSHPSA-N 2 2 285.388 -0.456 20 0 CBADLP COCC[NH+]1CC[C@](C)(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001046215008 801740347 /nfs/dbraw/zinc/74/03/47/801740347.db2.gz KPXYWHBVTFHXLF-JSGCOSHPSA-N 2 2 285.388 -0.456 20 0 CBADLP C[NH+](C)Cc1cc(C(=O)N[C@]2(C)CC[N@H+](CCO)C2)no1 ZINC001046433421 801762833 /nfs/dbraw/zinc/76/28/33/801762833.db2.gz WJPGJMMQDCEHSA-CQSZACIVSA-N 2 2 296.371 -0.077 20 0 CBADLP C[NH+](C)Cc1cc(C(=O)N[C@]2(C)CC[N@@H+](CCO)C2)no1 ZINC001046433421 801762836 /nfs/dbraw/zinc/76/28/36/801762836.db2.gz WJPGJMMQDCEHSA-CQSZACIVSA-N 2 2 296.371 -0.077 20 0 CBADLP C[C@@]1(NC(=O)C23CC[NH+](CC2)C3)CC[N@H+](CC(N)=O)C1 ZINC001046776638 801793611 /nfs/dbraw/zinc/79/36/11/801793611.db2.gz GWJJDUYBDFHRKD-CYBMUJFWSA-N 2 2 280.372 -0.852 20 0 CBADLP C[C@@]1(NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+](CC(N)=O)C1 ZINC001046776638 801793615 /nfs/dbraw/zinc/79/36/15/801793615.db2.gz GWJJDUYBDFHRKD-CYBMUJFWSA-N 2 2 280.372 -0.852 20 0 CBADLP CO[C@@H](C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001047545034 801896960 /nfs/dbraw/zinc/89/69/60/801896960.db2.gz NWYRSMQELHGQOW-DRZSPHRISA-N 2 2 296.371 -0.509 20 0 CBADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1C[N@H+](CC2CC2)C[C@@H]1O ZINC001047545742 801898862 /nfs/dbraw/zinc/89/88/62/801898862.db2.gz WNXXSMIXUQWAIF-STQMWFEESA-N 2 2 278.356 -0.134 20 0 CBADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1C[N@@H+](CC2CC2)C[C@@H]1O ZINC001047545742 801898871 /nfs/dbraw/zinc/89/88/71/801898871.db2.gz WNXXSMIXUQWAIF-STQMWFEESA-N 2 2 278.356 -0.134 20 0 CBADLP COCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001047597966 801906572 /nfs/dbraw/zinc/90/65/72/801906572.db2.gz OKSPCZSUGNAMMX-STQMWFEESA-N 2 2 296.371 -0.888 20 0 CBADLP COCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001047597966 801906575 /nfs/dbraw/zinc/90/65/75/801906575.db2.gz OKSPCZSUGNAMMX-STQMWFEESA-N 2 2 296.371 -0.888 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCO ZINC001049928995 802043109 /nfs/dbraw/zinc/04/31/09/802043109.db2.gz XXBQYHXGOICMGT-OLZOCXBDSA-N 2 2 278.356 -0.059 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCO ZINC001049928995 802043118 /nfs/dbraw/zinc/04/31/18/802043118.db2.gz XXBQYHXGOICMGT-OLZOCXBDSA-N 2 2 278.356 -0.059 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001052970200 802227660 /nfs/dbraw/zinc/22/76/60/802227660.db2.gz GRDNRFBJMBUHAT-NEPJUHHUSA-N 2 2 293.371 -0.272 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001052970200 802227665 /nfs/dbraw/zinc/22/76/65/802227665.db2.gz GRDNRFBJMBUHAT-NEPJUHHUSA-N 2 2 293.371 -0.272 20 0 CBADLP CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)CO2 ZINC001053845376 802301456 /nfs/dbraw/zinc/30/14/56/802301456.db2.gz RQEWBACKGBETQY-FRRDWIJNSA-N 2 2 297.399 -0.315 20 0 CBADLP CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)CO2 ZINC001053845376 802301462 /nfs/dbraw/zinc/30/14/62/802301462.db2.gz RQEWBACKGBETQY-FRRDWIJNSA-N 2 2 297.399 -0.315 20 0 CBADLP COCC[NH+]1CC2(C1)C[C@H](NC(=O)C[NH+]1CCCC1)CO2 ZINC001054009240 802322961 /nfs/dbraw/zinc/32/29/61/802322961.db2.gz SAEPTSHUZKDEOI-ZDUSSCGKSA-N 2 2 297.399 -0.312 20 0 CBADLP COCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)CO2 ZINC001054007358 802324181 /nfs/dbraw/zinc/32/41/81/802324181.db2.gz CTNFNQVXIMPQAI-QWHCGFSZSA-N 2 2 297.399 -0.456 20 0 CBADLP COCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)CO2 ZINC001054007358 802324189 /nfs/dbraw/zinc/32/41/89/802324189.db2.gz CTNFNQVXIMPQAI-QWHCGFSZSA-N 2 2 297.399 -0.456 20 0 CBADLP C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1[NH2+]CCO ZINC001054927663 802379354 /nfs/dbraw/zinc/37/93/54/802379354.db2.gz MIYVMQONDHCKAG-VXGBXAGGSA-N 2 2 280.372 -0.219 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC001119569597 812812301 /nfs/dbraw/zinc/81/23/01/812812301.db2.gz OOSFNZYPWYBYSQ-NWDGAFQWSA-N 2 2 264.329 -0.380 20 0 CBADLP CC(C)N1CC[NH+](CCCNC(C[NH3+])C[NH3+])CC1 ZINC001119683183 812866678 /nfs/dbraw/zinc/86/66/78/812866678.db2.gz ZZFNNDKFXCQLPF-UHFFFAOYSA-N 3 2 257.426 -0.722 20 0 CBADLP C[C@H](NC(=O)C1=CC[C@H]([NH3+])C1)[C@H]1CN(C)CC[N@@H+]1C ZINC001122450056 813166946 /nfs/dbraw/zinc/16/69/46/813166946.db2.gz ZJENEJCEQIUVGS-WCFLWFBJSA-N 2 2 266.389 -0.216 20 0 CBADLP C[C@H](NC(=O)C1=CC[C@H]([NH3+])C1)[C@H]1CN(C)CC[N@H+]1C ZINC001122450056 813166950 /nfs/dbraw/zinc/16/69/50/813166950.db2.gz ZJENEJCEQIUVGS-WCFLWFBJSA-N 2 2 266.389 -0.216 20 0 CBADLP CO[C@@H](C)c1noc(C[NH2+]CCNC(=O)CC[NH+](C)C)n1 ZINC001133294443 814237130 /nfs/dbraw/zinc/23/71/30/814237130.db2.gz JEPGSFXHUXRUDC-JTQLQIEISA-N 2 2 299.375 -0.066 20 0 CBADLP CCC[N@H+](C)CC(=O)NCC[NH2+]Cc1nc(N(C)C)no1 ZINC001148638738 814954044 /nfs/dbraw/zinc/95/40/44/814954044.db2.gz POLLBRMYCXOYMW-UHFFFAOYSA-N 2 2 298.391 -0.317 20 0 CBADLP CCC[N@@H+](C)CC(=O)NCC[NH2+]Cc1nc(N(C)C)no1 ZINC001148638738 814954052 /nfs/dbraw/zinc/95/40/52/814954052.db2.gz POLLBRMYCXOYMW-UHFFFAOYSA-N 2 2 298.391 -0.317 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+]Cc1cncn1C ZINC001149131107 814971446 /nfs/dbraw/zinc/97/14/46/814971446.db2.gz VKSAXDWCWIMMGR-UHFFFAOYSA-N 2 2 276.344 -0.100 20 0 CBADLP CC[C@@H]([NH2+]CCNC(=O)Cc1[nH]c[nH+]c1C)C(N)=O ZINC001149130454 814971867 /nfs/dbraw/zinc/97/18/67/814971867.db2.gz OUFCZJZETULVRA-SECBINFHSA-N 2 2 267.333 -0.770 20 0 CBADLP C[C@@H](C[N@H+](C)CCCO)NC(=O)Cn1cc[nH+]c1 ZINC001322308718 803887755 /nfs/dbraw/zinc/88/77/55/803887755.db2.gz YXRJOMSCPTWULQ-NSHDSACASA-N 2 2 254.334 -0.298 20 0 CBADLP C[C@@H](C[N@@H+](C)CCCO)NC(=O)Cn1cc[nH+]c1 ZINC001322308718 803887762 /nfs/dbraw/zinc/88/77/62/803887762.db2.gz YXRJOMSCPTWULQ-NSHDSACASA-N 2 2 254.334 -0.298 20 0 CBADLP COCCOCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001323277061 804002169 /nfs/dbraw/zinc/00/21/69/804002169.db2.gz IYSWFRGRQZBJLB-ZIAGYGMSSA-N 2 2 299.415 -0.066 20 0 CBADLP COCCOCC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001323277061 804002178 /nfs/dbraw/zinc/00/21/78/804002178.db2.gz IYSWFRGRQZBJLB-ZIAGYGMSSA-N 2 2 299.415 -0.066 20 0 CBADLP COCCOCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001323277061 804002186 /nfs/dbraw/zinc/00/21/86/804002186.db2.gz IYSWFRGRQZBJLB-ZIAGYGMSSA-N 2 2 299.415 -0.066 20 0 CBADLP COCCOCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001323277061 804002195 /nfs/dbraw/zinc/00/21/95/804002195.db2.gz IYSWFRGRQZBJLB-ZIAGYGMSSA-N 2 2 299.415 -0.066 20 0 CBADLP CCOCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001323355610 804013142 /nfs/dbraw/zinc/01/31/42/804013142.db2.gz FEGCGZUXPLHJAB-KBPBESRZSA-N 2 2 299.415 -0.066 20 0 CBADLP CCOCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001323355610 804013151 /nfs/dbraw/zinc/01/31/51/804013151.db2.gz FEGCGZUXPLHJAB-KBPBESRZSA-N 2 2 299.415 -0.066 20 0 CBADLP C[C@H](O)C[NH2+]C1(CNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001323460051 804030399 /nfs/dbraw/zinc/03/03/99/804030399.db2.gz RDMSRXMNPGYDDL-JTQLQIEISA-N 2 2 266.345 -0.039 20 0 CBADLP C[C@H](O)C[NH2+]C1(CNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001323460051 804030407 /nfs/dbraw/zinc/03/04/07/804030407.db2.gz RDMSRXMNPGYDDL-JTQLQIEISA-N 2 2 266.345 -0.039 20 0 CBADLP CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC001323886568 804079605 /nfs/dbraw/zinc/07/96/05/804079605.db2.gz VTZZESNMMQMEAS-LLVKDONJSA-N 2 2 293.371 -0.666 20 0 CBADLP CN1CC[NH+](CC2CN(C(=O)C[NH+](C)C)C2)CC1 ZINC001324339667 804139552 /nfs/dbraw/zinc/13/95/52/804139552.db2.gz CCEQIGHHQXGAOE-UHFFFAOYSA-N 2 2 254.378 -0.746 20 0 CBADLP C[NH+](C)CC(=O)N1CC(CN2CC[NH+](C)CC2)C1 ZINC001324339667 804139557 /nfs/dbraw/zinc/13/95/57/804139557.db2.gz CCEQIGHHQXGAOE-UHFFFAOYSA-N 2 2 254.378 -0.746 20 0 CBADLP Cn1ccc(C[NH2+]CCNC(=O)CCc2c[nH+]cn2C)n1 ZINC001149557775 814999440 /nfs/dbraw/zinc/99/94/40/814999440.db2.gz BCYSIDIOSXWCOZ-UHFFFAOYSA-N 2 2 290.371 -0.008 20 0 CBADLP COC[C@@H](O)C[NH2+]CCNC(=O)CCc1c[nH+]cn1C ZINC001149557711 814999815 /nfs/dbraw/zinc/99/98/15/814999815.db2.gz ABQUFQSFTAXCPK-LBPRGKRZSA-N 2 2 284.360 -0.934 20 0 CBADLP C[C@H]1CN(C(=O)C(=O)N2CC[NH+](C(C)(C)C)CC2)CC[NH2+]1 ZINC001325718721 804308292 /nfs/dbraw/zinc/30/82/92/804308292.db2.gz SYDKGTSCTRWGRI-LBPRGKRZSA-N 2 2 296.415 -0.251 20 0 CBADLP Cc1cc(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)on1 ZINC001325871568 804328826 /nfs/dbraw/zinc/32/88/26/804328826.db2.gz PQAXVLJSJBMMET-LBPRGKRZSA-N 2 2 268.361 -0.319 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@H]1C[N@H+](CCO)CCCO1 ZINC001150380578 815027811 /nfs/dbraw/zinc/02/78/11/815027811.db2.gz VVZJZXKCIXMVPQ-GFCCVEGCSA-N 2 2 282.344 -0.848 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@H]1C[N@@H+](CCO)CCCO1 ZINC001150380578 815027817 /nfs/dbraw/zinc/02/78/17/815027817.db2.gz VVZJZXKCIXMVPQ-GFCCVEGCSA-N 2 2 282.344 -0.848 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC[C@@H]1C[N@H+](CCO)CCCO1 ZINC001150595845 815036830 /nfs/dbraw/zinc/03/68/30/815036830.db2.gz DLHJGVZXFSPKSY-CYBMUJFWSA-N 2 2 296.371 -0.838 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC[C@@H]1C[N@@H+](CCO)CCCO1 ZINC001150595845 815036835 /nfs/dbraw/zinc/03/68/35/815036835.db2.gz DLHJGVZXFSPKSY-CYBMUJFWSA-N 2 2 296.371 -0.838 20 0 CBADLP CCc1noc(C[NH2+]CCNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001151065964 815056483 /nfs/dbraw/zinc/05/64/83/815056483.db2.gz OXPLCXYUFXVZJZ-JTQLQIEISA-N 2 2 281.360 -0.211 20 0 CBADLP CCc1noc(C[NH2+]CCNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001151065964 815056489 /nfs/dbraw/zinc/05/64/89/815056489.db2.gz OXPLCXYUFXVZJZ-JTQLQIEISA-N 2 2 281.360 -0.211 20 0 CBADLP Cc1nnc(C[NH2+]CCNC(=O)Cn2cc[nH+]c2C)[nH]1 ZINC001151115422 815062407 /nfs/dbraw/zinc/06/24/07/815062407.db2.gz XAMXUVVPKQUBNP-UHFFFAOYSA-N 2 2 277.332 -0.476 20 0 CBADLP C[C@@H](O)C[N@@H+]1CCC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001073018414 805356613 /nfs/dbraw/zinc/35/66/13/805356613.db2.gz ALRXEYVDNUTLKR-LLVKDONJSA-N 2 2 278.356 -0.133 20 0 CBADLP C[C@@H](O)C[N@H+]1CCC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001073018414 805356619 /nfs/dbraw/zinc/35/66/19/805356619.db2.gz ALRXEYVDNUTLKR-LLVKDONJSA-N 2 2 278.356 -0.133 20 0 CBADLP C[C@H]([NH2+][C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)[C@H]1C)C(N)=O ZINC001074629248 805462995 /nfs/dbraw/zinc/46/29/95/805462995.db2.gz LKYZXFGBUBYPNW-DCAQKATOSA-N 2 2 293.371 -0.205 20 0 CBADLP C[C@@H]([NH2+][C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)[C@H]1C)C(N)=O ZINC001074680693 805464499 /nfs/dbraw/zinc/46/44/99/805464499.db2.gz STVANKFJDAEYKJ-SCVCMEIPSA-N 2 2 293.371 -0.205 20 0 CBADLP C[C@@H]([NH2+][C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)[C@H]1C)C(N)=O ZINC001074680693 805464504 /nfs/dbraw/zinc/46/45/04/805464504.db2.gz STVANKFJDAEYKJ-SCVCMEIPSA-N 2 2 293.371 -0.205 20 0 CBADLP C[C@H]1[C@@H]([NH2+][C@H]2CCNC2=O)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001074996337 805479957 /nfs/dbraw/zinc/47/99/57/805479957.db2.gz BVBSCBOHTRTKED-DCAQKATOSA-N 2 2 291.355 -0.580 20 0 CBADLP COCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001075644175 805520237 /nfs/dbraw/zinc/52/02/37/805520237.db2.gz ZBFVLPDBMYCWNK-MJBXVCDLSA-N 2 2 297.399 -0.504 20 0 CBADLP COCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001075644175 805520238 /nfs/dbraw/zinc/52/02/38/805520238.db2.gz ZBFVLPDBMYCWNK-MJBXVCDLSA-N 2 2 297.399 -0.504 20 0 CBADLP COCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001075644175 805520248 /nfs/dbraw/zinc/52/02/48/805520248.db2.gz ZBFVLPDBMYCWNK-MJBXVCDLSA-N 2 2 297.399 -0.504 20 0 CBADLP COCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC001075644175 805520253 /nfs/dbraw/zinc/52/02/53/805520253.db2.gz ZBFVLPDBMYCWNK-MJBXVCDLSA-N 2 2 297.399 -0.504 20 0 CBADLP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CC(N)=O)C[C@H]21 ZINC001076145000 805556049 /nfs/dbraw/zinc/55/60/49/805556049.db2.gz OPEGPHHYYMLKGO-RWMBFGLXSA-N 2 2 294.399 -0.511 20 0 CBADLP C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CC(N)=O)C[C@H]21 ZINC001076145000 805556057 /nfs/dbraw/zinc/55/60/57/805556057.db2.gz OPEGPHHYYMLKGO-RWMBFGLXSA-N 2 2 294.399 -0.511 20 0 CBADLP C[NH+]1CCCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001076145000 805556065 /nfs/dbraw/zinc/55/60/65/805556065.db2.gz OPEGPHHYYMLKGO-RWMBFGLXSA-N 2 2 294.399 -0.511 20 0 CBADLP C[NH+]1CCCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001076145000 805556071 /nfs/dbraw/zinc/55/60/71/805556071.db2.gz OPEGPHHYYMLKGO-RWMBFGLXSA-N 2 2 294.399 -0.511 20 0 CBADLP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]2C[NH+](CC(N)=O)C[C@H]21 ZINC001076241314 805562017 /nfs/dbraw/zinc/56/20/17/805562017.db2.gz LAUQZYNPXMCQQM-RWMBFGLXSA-N 2 2 294.399 -0.511 20 0 CBADLP C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H]2C[NH+](CC(N)=O)C[C@H]21 ZINC001076241314 805562026 /nfs/dbraw/zinc/56/20/26/805562026.db2.gz LAUQZYNPXMCQQM-RWMBFGLXSA-N 2 2 294.399 -0.511 20 0 CBADLP C[C@H]1CCC[NH+]1CC(=O)N1CC[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001076241314 805562036 /nfs/dbraw/zinc/56/20/36/805562036.db2.gz LAUQZYNPXMCQQM-RWMBFGLXSA-N 2 2 294.399 -0.511 20 0 CBADLP C[C@H]1CCC[NH+]1CC(=O)N1CC[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001076241314 805562040 /nfs/dbraw/zinc/56/20/40/805562040.db2.gz LAUQZYNPXMCQQM-RWMBFGLXSA-N 2 2 294.399 -0.511 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001076295802 805566382 /nfs/dbraw/zinc/56/63/82/805566382.db2.gz YSWRXPRWUSCKNZ-CMPLNLGQSA-N 2 2 264.329 -0.523 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001076295802 805566390 /nfs/dbraw/zinc/56/63/90/805566390.db2.gz YSWRXPRWUSCKNZ-CMPLNLGQSA-N 2 2 264.329 -0.523 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2ocnc2C)C1 ZINC001151739353 815090212 /nfs/dbraw/zinc/09/02/12/815090212.db2.gz LDJAICMCFSPWMG-ZDUSSCGKSA-N 2 2 296.371 -0.090 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2ocnc2C)C1 ZINC001151739353 815090218 /nfs/dbraw/zinc/09/02/18/815090218.db2.gz LDJAICMCFSPWMG-ZDUSSCGKSA-N 2 2 296.371 -0.090 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2cc(C)on2)C1 ZINC001151749161 815091501 /nfs/dbraw/zinc/09/15/01/815091501.db2.gz PZYKALFVWQYIFD-CYBMUJFWSA-N 2 2 296.371 -0.090 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2cc(C)on2)C1 ZINC001151749161 815091510 /nfs/dbraw/zinc/09/15/10/815091510.db2.gz PZYKALFVWQYIFD-CYBMUJFWSA-N 2 2 296.371 -0.090 20 0 CBADLP COC[C@@H](C)[NH2+]CCNC(=O)[C@H](C1CC1)[NH+]1CCOCC1 ZINC001151814836 815095212 /nfs/dbraw/zinc/09/52/12/815095212.db2.gz MYBVIPMAYBBBGQ-OCCSQVGLSA-N 2 2 299.415 -0.162 20 0 CBADLP NC(=O)C[NH2+]CCNC(=O)C[N@@H+]1CCc2sccc2C1 ZINC001152201765 815111455 /nfs/dbraw/zinc/11/14/55/815111455.db2.gz GRFLSELXIRXWAO-UHFFFAOYSA-N 2 2 296.396 -0.703 20 0 CBADLP NC(=O)C[NH2+]CCNC(=O)C[N@H+]1CCc2sccc2C1 ZINC001152201765 815111461 /nfs/dbraw/zinc/11/14/61/815111461.db2.gz GRFLSELXIRXWAO-UHFFFAOYSA-N 2 2 296.396 -0.703 20 0 CBADLP O=C(Cn1cc[nH+]c1)NCC[NH2+]C[C@H]1CCc2ncnn21 ZINC001153495819 815165147 /nfs/dbraw/zinc/16/51/47/815165147.db2.gz OPLNJFMJFQUFAX-LLVKDONJSA-N 2 2 289.343 -0.632 20 0 CBADLP COc1ccc(C[NH2+]CCNC(=O)Cn2cc[nH+]c2)nn1 ZINC001153487945 815165186 /nfs/dbraw/zinc/16/51/86/815165186.db2.gz UVSPGRCQYAGLJK-UHFFFAOYSA-N 2 2 290.327 -0.412 20 0 CBADLP CCCNC(=O)[C@H](C)[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153499920 815164190 /nfs/dbraw/zinc/16/41/90/815164190.db2.gz ABPTUPWCZQUHQC-NSHDSACASA-N 2 2 281.360 -0.496 20 0 CBADLP CCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153500918 815164335 /nfs/dbraw/zinc/16/43/35/815164335.db2.gz ZXWCAPSBMSTVRM-LBPRGKRZSA-N 2 2 295.387 -0.106 20 0 CBADLP O=C(Cn1cc[nH+]c1)NCC[NH2+]CCCN1CCCC1=O ZINC001153508110 815165549 /nfs/dbraw/zinc/16/55/49/815165549.db2.gz PTQYVYMWZDDTQE-UHFFFAOYSA-N 2 2 293.371 -0.399 20 0 CBADLP C[N@@H+]1CCO[C@H](CNc2ccc(N3CC[NH2+]CC3)nn2)C1 ZINC001155194839 815268839 /nfs/dbraw/zinc/26/88/39/815268839.db2.gz VPAAAISYBMZIJD-GFCCVEGCSA-N 2 2 292.387 -0.371 20 0 CBADLP C[N@H+]1CCO[C@H](CNc2ccc(N3CC[NH2+]CC3)nn2)C1 ZINC001155194839 815268845 /nfs/dbraw/zinc/26/88/45/815268845.db2.gz VPAAAISYBMZIJD-GFCCVEGCSA-N 2 2 292.387 -0.371 20 0 CBADLP [NH3+][C@H]1COC[C@H]1Nc1cc(N2CCOCC2)[nH+]cn1 ZINC001155345851 815278597 /nfs/dbraw/zinc/27/85/97/815278597.db2.gz CVLSPFNXUCHCOO-VHSXEESVSA-N 2 2 265.317 -0.549 20 0 CBADLP [NH3+]CCN(CCO)c1cc(N2CCSCC2)[nH+]cn1 ZINC001155953166 815325399 /nfs/dbraw/zinc/32/53/99/815325399.db2.gz HWWYCBGDGJIJJF-UHFFFAOYSA-N 2 2 283.401 -0.213 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]Cc2ncccn2)C1 ZINC001156144143 815341335 /nfs/dbraw/zinc/34/13/35/815341335.db2.gz AGMSLFYBALRSFA-LBPRGKRZSA-N 2 2 293.371 -0.597 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]Cc2ncccn2)C1 ZINC001156144143 815341342 /nfs/dbraw/zinc/34/13/42/815341342.db2.gz AGMSLFYBALRSFA-LBPRGKRZSA-N 2 2 293.371 -0.597 20 0 CBADLP COC(=O)[C@@H]1C[C@H](Nc2cc(C3C[NH2+]C3)ncn2)C[NH2+]1 ZINC001156249387 815352558 /nfs/dbraw/zinc/35/25/58/815352558.db2.gz HZLZJRXQGVWIRK-ONGXEEELSA-N 2 2 277.328 -0.521 20 0 CBADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC[N@@H+]1CC(N)=O ZINC001087522891 810295732 /nfs/dbraw/zinc/29/57/32/810295732.db2.gz BFMOOTOSGVNMBG-QJPTWQEYSA-N 2 2 282.388 -0.465 20 0 CBADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC[N@H+]1CC(N)=O ZINC001087522891 810295734 /nfs/dbraw/zinc/29/57/34/810295734.db2.gz BFMOOTOSGVNMBG-QJPTWQEYSA-N 2 2 282.388 -0.465 20 0 CBADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC[NH+]1CC(N)=O ZINC001087522891 810295737 /nfs/dbraw/zinc/29/57/37/810295737.db2.gz BFMOOTOSGVNMBG-QJPTWQEYSA-N 2 2 282.388 -0.465 20 0 CBADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CC[NH+]1CC(N)=O ZINC001087522891 810295742 /nfs/dbraw/zinc/29/57/42/810295742.db2.gz BFMOOTOSGVNMBG-QJPTWQEYSA-N 2 2 282.388 -0.465 20 0 CBADLP NC(=O)C[NH2+][C@H]1CCCCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001088405414 810330631 /nfs/dbraw/zinc/33/06/31/810330631.db2.gz WVZDOUOAIDGRMV-NSHDSACASA-N 2 2 293.371 -0.202 20 0 CBADLP C[C@H](O)C[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC001088981988 810370401 /nfs/dbraw/zinc/37/04/01/810370401.db2.gz YBDMEQWWPDVNMX-LOWVWBTDSA-N 2 2 280.372 -0.078 20 0 CBADLP C[C@H](O)C[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC001088981988 810370407 /nfs/dbraw/zinc/37/04/07/810370407.db2.gz YBDMEQWWPDVNMX-LOWVWBTDSA-N 2 2 280.372 -0.078 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1CC(=O)N(C)C ZINC001089038075 810372744 /nfs/dbraw/zinc/37/27/44/810372744.db2.gz CIVOULJMMXAIPF-OLZOCXBDSA-N 2 2 296.415 -0.251 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1CC(=O)N(C)C ZINC001089038075 810372751 /nfs/dbraw/zinc/37/27/51/810372751.db2.gz CIVOULJMMXAIPF-OLZOCXBDSA-N 2 2 296.415 -0.251 20 0 CBADLP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CC(N)=O)[C@@H]1C ZINC001089060762 810377362 /nfs/dbraw/zinc/37/73/62/810377362.db2.gz FPMXTQYTMDNYTP-AGIUHOORSA-N 2 2 296.415 -0.075 20 0 CBADLP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CC(N)=O)[C@@H]1C ZINC001089060762 810377365 /nfs/dbraw/zinc/37/73/65/810377365.db2.gz FPMXTQYTMDNYTP-AGIUHOORSA-N 2 2 296.415 -0.075 20 0 CBADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC(N)=O)[C@@H]1C ZINC001089060762 810377370 /nfs/dbraw/zinc/37/73/70/810377370.db2.gz FPMXTQYTMDNYTP-AGIUHOORSA-N 2 2 296.415 -0.075 20 0 CBADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)[C@@H]1C ZINC001089060762 810377374 /nfs/dbraw/zinc/37/73/74/810377374.db2.gz FPMXTQYTMDNYTP-AGIUHOORSA-N 2 2 296.415 -0.075 20 0 CBADLP C[C@@H]1CN(c2cc(N3CCC[C@@H]3C(N)=O)[nH+]cn2)CC[NH2+]1 ZINC001156699589 815374284 /nfs/dbraw/zinc/37/42/84/815374284.db2.gz FWKSXEJQJRXCHE-GHMZBOCLSA-N 2 2 290.371 -0.271 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CC[N@@H+](CC2CC2)C[C@H]1O ZINC001090675163 810547122 /nfs/dbraw/zinc/54/71/22/810547122.db2.gz GMWPLFHUTHELCF-VXGBXAGGSA-N 2 2 278.356 -0.086 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CC[N@H+](CC2CC2)C[C@H]1O ZINC001090675163 810547128 /nfs/dbraw/zinc/54/71/28/810547128.db2.gz GMWPLFHUTHELCF-VXGBXAGGSA-N 2 2 278.356 -0.086 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001090762966 810562292 /nfs/dbraw/zinc/56/22/92/810562292.db2.gz CRYUZVDGCZBHJQ-DGCLKSJQSA-N 2 2 296.371 -0.806 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001090762966 810562297 /nfs/dbraw/zinc/56/22/97/810562297.db2.gz CRYUZVDGCZBHJQ-DGCLKSJQSA-N 2 2 296.371 -0.806 20 0 CBADLP CC(C)[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H](O)C1 ZINC001090847882 810574670 /nfs/dbraw/zinc/57/46/70/810574670.db2.gz CBGMGOVTJIHDQU-NWDGAFQWSA-N 2 2 266.345 -0.157 20 0 CBADLP CC(C)[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H](O)C1 ZINC001090847882 810574679 /nfs/dbraw/zinc/57/46/79/810574679.db2.gz CBGMGOVTJIHDQU-NWDGAFQWSA-N 2 2 266.345 -0.157 20 0 CBADLP O=C(NCC1CC([NH2+]CCO)C1)[C@H]1CCc2c[nH+]cn2C1 ZINC001091106721 810592987 /nfs/dbraw/zinc/59/29/87/810592987.db2.gz UEGJHVSUZOTFDW-CPCZMJQVSA-N 2 2 292.383 -0.078 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCCO)C1 ZINC001095267530 810744060 /nfs/dbraw/zinc/74/40/60/810744060.db2.gz DHNJGUXDUWOFEH-ZOBORPQBSA-N 2 2 297.399 -0.579 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCCO)C1 ZINC001095267530 810744065 /nfs/dbraw/zinc/74/40/65/810744065.db2.gz DHNJGUXDUWOFEH-ZOBORPQBSA-N 2 2 297.399 -0.579 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCO)C1 ZINC001095267530 810744070 /nfs/dbraw/zinc/74/40/70/810744070.db2.gz DHNJGUXDUWOFEH-ZOBORPQBSA-N 2 2 297.399 -0.579 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCO)C1 ZINC001095267530 810744073 /nfs/dbraw/zinc/74/40/73/810744073.db2.gz DHNJGUXDUWOFEH-ZOBORPQBSA-N 2 2 297.399 -0.579 20 0 CBADLP COCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+](C)CCO1)C2 ZINC001096914564 810790393 /nfs/dbraw/zinc/79/03/93/810790393.db2.gz YVFJWWYYKXVHIF-MQYQWHSLSA-N 2 2 297.399 -0.315 20 0 CBADLP COCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C2 ZINC001096914564 810790405 /nfs/dbraw/zinc/79/04/05/810790405.db2.gz YVFJWWYYKXVHIF-MQYQWHSLSA-N 2 2 297.399 -0.315 20 0 CBADLP COCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C2 ZINC001096914564 810790410 /nfs/dbraw/zinc/79/04/10/810790410.db2.gz YVFJWWYYKXVHIF-MQYQWHSLSA-N 2 2 297.399 -0.315 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCO ZINC001098285729 810840710 /nfs/dbraw/zinc/84/07/10/810840710.db2.gz KZQOJZJSKNRSFC-RTXFEEFZSA-N 2 2 278.356 -0.026 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO ZINC001098285729 810840718 /nfs/dbraw/zinc/84/07/18/810840718.db2.gz KZQOJZJSKNRSFC-RTXFEEFZSA-N 2 2 278.356 -0.026 20 0 CBADLP CC[N@@H+]1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001099804221 810945576 /nfs/dbraw/zinc/94/55/76/810945576.db2.gz KBIIAOBVXJONRW-MNOVXSKESA-N 2 2 266.345 -0.086 20 0 CBADLP CC[N@H+]1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001099804221 810945581 /nfs/dbraw/zinc/94/55/81/810945581.db2.gz KBIIAOBVXJONRW-MNOVXSKESA-N 2 2 266.345 -0.086 20 0 CBADLP CC[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@H](O)C1 ZINC001100094193 811020066 /nfs/dbraw/zinc/02/00/66/811020066.db2.gz IOELQBQCJOWLKU-CHWSQXEVSA-N 2 2 280.372 -0.076 20 0 CBADLP CC[N@H+]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@H](O)C1 ZINC001100094193 811020075 /nfs/dbraw/zinc/02/00/75/811020075.db2.gz IOELQBQCJOWLKU-CHWSQXEVSA-N 2 2 280.372 -0.076 20 0 CBADLP COCCC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](O)C1 ZINC001100136463 811027190 /nfs/dbraw/zinc/02/71/90/811027190.db2.gz NESFTYBKFLCBDC-CHWSQXEVSA-N 2 2 296.371 -0.529 20 0 CBADLP COCCC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](O)C1 ZINC001100136463 811027197 /nfs/dbraw/zinc/02/71/97/811027197.db2.gz NESFTYBKFLCBDC-CHWSQXEVSA-N 2 2 296.371 -0.529 20 0 CBADLP CC(C)NC(=O)C[NH2+]CCCNC(=O)CCc1[nH]cc[nH+]1 ZINC001157257580 815416079 /nfs/dbraw/zinc/41/60/79/815416079.db2.gz VAHSHVKGOOEQEO-UHFFFAOYSA-N 2 2 295.387 -0.037 20 0 CBADLP C[C@H](O)C[NH2+]C1CC(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001100710413 811074409 /nfs/dbraw/zinc/07/44/09/811074409.db2.gz QGLDEAKMKHGQHT-WHXUTIOJSA-N 2 2 266.345 -0.183 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NCC1CC([NH2+]CCO)C1 ZINC001100710099 811074901 /nfs/dbraw/zinc/07/49/01/811074901.db2.gz BTUIKVSQTNNQIV-UHFFFAOYSA-N 2 2 252.318 -0.571 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]C1CC(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001100789672 811079957 /nfs/dbraw/zinc/07/99/57/811079957.db2.gz HVXAPQGHTDBAGI-WHXUTIOJSA-N 2 2 293.371 -0.429 20 0 CBADLP CNC(=O)C[NH2+]C1CC(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001100787223 811080039 /nfs/dbraw/zinc/08/00/39/811080039.db2.gz VSDVUCMEGUNBQA-UHFFFAOYSA-N 2 2 279.344 -0.817 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCC1CC([NH2+][C@H](C)C(N)=O)C1 ZINC001100918145 811085366 /nfs/dbraw/zinc/08/53/66/811085366.db2.gz GFIQZWJAEAIDBO-KPPDAEKUSA-N 2 2 293.371 -0.381 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)NCC1CC([NH2+]CC(N)=O)C1 ZINC001100933871 811086964 /nfs/dbraw/zinc/08/69/64/811086964.db2.gz BAHDAROUMJXRDZ-UHFFFAOYSA-N 2 2 293.371 -0.678 20 0 CBADLP CNC(=O)C[N@H+]1C[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102406531 811155597 /nfs/dbraw/zinc/15/55/97/811155597.db2.gz YBBYOXIJCQCCGA-GHMZBOCLSA-N 2 2 293.371 -0.618 20 0 CBADLP CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102406531 811155600 /nfs/dbraw/zinc/15/56/00/811155600.db2.gz YBBYOXIJCQCCGA-GHMZBOCLSA-N 2 2 293.371 -0.618 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1C[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102406077 811155888 /nfs/dbraw/zinc/15/58/88/811155888.db2.gz APSXAGQUMFKKIJ-OUAUKWLOSA-N 2 2 293.371 -0.490 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102406077 811155891 /nfs/dbraw/zinc/15/58/91/811155891.db2.gz APSXAGQUMFKKIJ-OUAUKWLOSA-N 2 2 293.371 -0.490 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1C[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001102482786 811157714 /nfs/dbraw/zinc/15/77/14/811157714.db2.gz JEVCUHIRORZMPV-GMTAPVOTSA-N 2 2 293.371 -0.490 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001102482786 811157723 /nfs/dbraw/zinc/15/77/23/811157723.db2.gz JEVCUHIRORZMPV-GMTAPVOTSA-N 2 2 293.371 -0.490 20 0 CBADLP C[C@H](NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)[C@@H]1CCCO1 ZINC001157423614 815432508 /nfs/dbraw/zinc/43/25/08/815432508.db2.gz MRWCMAGQNHGTQC-LSJOCFKGSA-N 2 2 252.318 -0.037 20 0 CBADLP CC[NH+]1CC(n2cc(CNC(=O)C[NH+]3CCCC3)nn2)C1 ZINC001107236305 811332834 /nfs/dbraw/zinc/33/28/34/811332834.db2.gz ULJXVUSMHGIRPB-UHFFFAOYSA-N 2 2 292.387 -0.133 20 0 CBADLP CN(CC(F)(F)F)C(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001157519289 815440884 /nfs/dbraw/zinc/44/08/84/815440884.db2.gz MNKCCFORGMDNKM-CBAPKCEASA-N 2 2 251.252 -0.041 20 0 CBADLP COCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001107816966 811376807 /nfs/dbraw/zinc/37/68/07/811376807.db2.gz KXVUWIJEPXXABR-ZFWWWQNUSA-N 2 2 299.415 -0.066 20 0 CBADLP COCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001107816966 811376819 /nfs/dbraw/zinc/37/68/19/811376819.db2.gz KXVUWIJEPXXABR-ZFWWWQNUSA-N 2 2 299.415 -0.066 20 0 CBADLP COCC[NH+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001107816966 811376829 /nfs/dbraw/zinc/37/68/29/811376829.db2.gz KXVUWIJEPXXABR-ZFWWWQNUSA-N 2 2 299.415 -0.066 20 0 CBADLP COCC[NH+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001107816966 811376838 /nfs/dbraw/zinc/37/68/38/811376838.db2.gz KXVUWIJEPXXABR-ZFWWWQNUSA-N 2 2 299.415 -0.066 20 0 CBADLP [NH3+][C@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H]1F ZINC001157530814 815442716 /nfs/dbraw/zinc/44/27/16/815442716.db2.gz JMOPMMAPVBMWPL-AEJSXWLSSA-N 2 2 252.293 -0.047 20 0 CBADLP CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001107838839 811380207 /nfs/dbraw/zinc/38/02/07/811380207.db2.gz GGZRCPZARZOOJA-TZMCWYRMSA-N 2 2 285.388 -0.456 20 0 CBADLP CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001107838839 811380217 /nfs/dbraw/zinc/38/02/17/811380217.db2.gz GGZRCPZARZOOJA-TZMCWYRMSA-N 2 2 285.388 -0.456 20 0 CBADLP CC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001107838839 811380228 /nfs/dbraw/zinc/38/02/28/811380228.db2.gz GGZRCPZARZOOJA-TZMCWYRMSA-N 2 2 285.388 -0.456 20 0 CBADLP CC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001107838839 811380241 /nfs/dbraw/zinc/38/02/41/811380241.db2.gz GGZRCPZARZOOJA-TZMCWYRMSA-N 2 2 285.388 -0.456 20 0 CBADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC(N2CC(F)C2)C1 ZINC001157527300 815442893 /nfs/dbraw/zinc/44/28/93/815442893.db2.gz LPQQYVQIFXTABW-NSHDSACASA-N 2 2 267.308 -0.856 20 0 CBADLP C[NH+](C)C1(C(=O)NC[C@]2(C)C[N@H+](CCO)CCO2)CCC1 ZINC001107993361 811402698 /nfs/dbraw/zinc/40/26/98/811402698.db2.gz NZKUODZYCZJGFI-CQSZACIVSA-N 2 2 299.415 -0.330 20 0 CBADLP C[NH+](C)C1(C(=O)NC[C@]2(C)C[N@@H+](CCO)CCO2)CCC1 ZINC001107993361 811402707 /nfs/dbraw/zinc/40/27/07/811402707.db2.gz NZKUODZYCZJGFI-CQSZACIVSA-N 2 2 299.415 -0.330 20 0 CBADLP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@]1(C)C[NH+](CCO)CCO1 ZINC001108023720 811405194 /nfs/dbraw/zinc/40/51/94/811405194.db2.gz FKUQZEMFCCNUQK-DZGCQCFKSA-N 2 2 299.415 -0.330 20 0 CBADLP C[N@H+]1CCCC[C@H]1C(=O)NC[C@]1(C)C[NH+](CCO)CCO1 ZINC001108023720 811405197 /nfs/dbraw/zinc/40/51/97/811405197.db2.gz FKUQZEMFCCNUQK-DZGCQCFKSA-N 2 2 299.415 -0.330 20 0 CBADLP C[NH+]1CCCC[C@H]1C(=O)NC[C@]1(C)C[N@H+](CCO)CCO1 ZINC001108023720 811405200 /nfs/dbraw/zinc/40/52/00/811405200.db2.gz FKUQZEMFCCNUQK-DZGCQCFKSA-N 2 2 299.415 -0.330 20 0 CBADLP C[NH+]1CCCC[C@H]1C(=O)NC[C@]1(C)C[N@@H+](CCO)CCO1 ZINC001108023720 811405206 /nfs/dbraw/zinc/40/52/06/811405206.db2.gz FKUQZEMFCCNUQK-DZGCQCFKSA-N 2 2 299.415 -0.330 20 0 CBADLP C[N@@H+]1CCCn2nc(C(=O)N3C[C@@H](F)[C@@H]([NH3+])C3)cc2C1 ZINC001157565112 815446061 /nfs/dbraw/zinc/44/60/61/815446061.db2.gz VXFFHCJHBXFASI-MNOVXSKESA-N 2 2 281.335 -0.160 20 0 CBADLP C[N@H+]1CCCn2nc(C(=O)N3C[C@@H](F)[C@@H]([NH3+])C3)cc2C1 ZINC001157565112 815446063 /nfs/dbraw/zinc/44/60/63/815446063.db2.gz VXFFHCJHBXFASI-MNOVXSKESA-N 2 2 281.335 -0.160 20 0 CBADLP CC[C@@H](C(=O)NC[C@@]1(C)C[N@H+](CCO)CCO1)[NH+](C)C ZINC001108221334 811425178 /nfs/dbraw/zinc/42/51/78/811425178.db2.gz ZHXHQDKJDRKXGO-JSGCOSHPSA-N 2 2 287.404 -0.474 20 0 CBADLP CC[C@@H](C(=O)NC[C@@]1(C)C[N@@H+](CCO)CCO1)[NH+](C)C ZINC001108221334 811425184 /nfs/dbraw/zinc/42/51/84/811425184.db2.gz ZHXHQDKJDRKXGO-JSGCOSHPSA-N 2 2 287.404 -0.474 20 0 CBADLP C[C@H]1CCC[N@@H+]1CC(=O)NC[C@]1(C)C[NH+](CCO)CCO1 ZINC001108213410 811425613 /nfs/dbraw/zinc/42/56/13/811425613.db2.gz OLDQFCKJUCPHFK-DZGCQCFKSA-N 2 2 299.415 -0.330 20 0 CBADLP C[C@H]1CCC[N@H+]1CC(=O)NC[C@]1(C)C[NH+](CCO)CCO1 ZINC001108213410 811425615 /nfs/dbraw/zinc/42/56/15/811425615.db2.gz OLDQFCKJUCPHFK-DZGCQCFKSA-N 2 2 299.415 -0.330 20 0 CBADLP C[C@H]1CCC[NH+]1CC(=O)NC[C@]1(C)C[N@H+](CCO)CCO1 ZINC001108213410 811425619 /nfs/dbraw/zinc/42/56/19/811425619.db2.gz OLDQFCKJUCPHFK-DZGCQCFKSA-N 2 2 299.415 -0.330 20 0 CBADLP C[C@H]1CCC[NH+]1CC(=O)NC[C@]1(C)C[N@@H+](CCO)CCO1 ZINC001108213410 811425622 /nfs/dbraw/zinc/42/56/22/811425622.db2.gz OLDQFCKJUCPHFK-DZGCQCFKSA-N 2 2 299.415 -0.330 20 0 CBADLP C[C@]1(CNC(=O)C[NH+]2CCCC2)C[N@H+](CCCO)CCO1 ZINC001108398662 811446787 /nfs/dbraw/zinc/44/67/87/811446787.db2.gz JOKHVAOUDIWBTH-HNNXBMFYSA-N 2 2 299.415 -0.328 20 0 CBADLP C[C@]1(CNC(=O)C[NH+]2CCCC2)C[N@@H+](CCCO)CCO1 ZINC001108398662 811446792 /nfs/dbraw/zinc/44/67/92/811446792.db2.gz JOKHVAOUDIWBTH-HNNXBMFYSA-N 2 2 299.415 -0.328 20 0 CBADLP NC(=O)[C@@H]1CCCN1c1cc(N2C[C@@H]3C[NH2+][C@@H]3C2)nc[nH+]1 ZINC001157624278 815448712 /nfs/dbraw/zinc/44/87/12/815448712.db2.gz VUDCBEAFTYNAJM-AXFHLTTASA-N 2 2 288.355 -0.661 20 0 CBADLP COC(=O)[C@@H]1C[C@H](C(=O)N2CC(C)([NH3+])C2)CC[NH2+]1 ZINC001157644690 815450308 /nfs/dbraw/zinc/45/03/08/815450308.db2.gz VSZXOARXVOQLSF-BDAKNGLRSA-N 2 2 255.318 -0.913 20 0 CBADLP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O)[NH+](C)C ZINC001109446112 811496096 /nfs/dbraw/zinc/49/60/96/811496096.db2.gz LEWIUUPMHNGDJW-KXNHARMFSA-N 2 2 282.388 -0.467 20 0 CBADLP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O)[NH+](C)C ZINC001109446112 811496103 /nfs/dbraw/zinc/49/61/03/811496103.db2.gz LEWIUUPMHNGDJW-KXNHARMFSA-N 2 2 282.388 -0.467 20 0 CBADLP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC)[NH+](C)C ZINC001109731998 811500579 /nfs/dbraw/zinc/50/05/79/811500579.db2.gz WZGMUUPFAOVISB-VOAKCMCISA-N 2 2 296.415 -0.206 20 0 CBADLP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC)[NH+](C)C ZINC001109731998 811500582 /nfs/dbraw/zinc/50/05/82/811500582.db2.gz WZGMUUPFAOVISB-VOAKCMCISA-N 2 2 296.415 -0.206 20 0 CBADLP CN(Cc1ncccn1)C(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001157681416 815452956 /nfs/dbraw/zinc/45/29/56/815452956.db2.gz HACRTEYFAVYQFQ-GWCFXTLKSA-N 2 2 261.329 -0.614 20 0 CBADLP C[C@H]1CN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)CCCO1 ZINC001157703417 815453877 /nfs/dbraw/zinc/45/38/77/815453877.db2.gz OPIDBGIQAVMEBY-WGBDABJCSA-N 2 2 253.346 -0.154 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)CCCO1 ZINC001157704261 815453959 /nfs/dbraw/zinc/45/39/59/815453959.db2.gz WIRXFYXUXZMZPE-NQBHXWOUSA-N 2 2 253.346 -0.425 20 0 CBADLP COC(=O)[C@@]1(F)CCN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)C1 ZINC001157715837 815455660 /nfs/dbraw/zinc/45/56/60/815455660.db2.gz JDUCPWGWNLDDSY-RQSQLSILSA-N 2 2 285.319 -0.678 20 0 CBADLP COC(=O)[C@]1(F)CCN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)C1 ZINC001157715508 815455666 /nfs/dbraw/zinc/45/56/66/815455666.db2.gz FASKLWIVBABMDD-XHSYRHOGSA-N 2 2 285.319 -0.950 20 0 CBADLP O=C(N1Cc2cncnc2C1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001157708459 815455735 /nfs/dbraw/zinc/45/57/35/815455735.db2.gz QIRLQQIEJXYXJO-ZWNOBZJWSA-N 2 2 259.313 -0.730 20 0 CBADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(N)=O ZINC001111230769 811543152 /nfs/dbraw/zinc/54/31/52/811543152.db2.gz WEUOXCZQTABOGE-UTUOFQBUSA-N 2 2 282.388 -0.465 20 0 CBADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(N)=O ZINC001111230769 811543160 /nfs/dbraw/zinc/54/31/60/811543160.db2.gz WEUOXCZQTABOGE-UTUOFQBUSA-N 2 2 282.388 -0.465 20 0 CBADLP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001111230769 811543169 /nfs/dbraw/zinc/54/31/69/811543169.db2.gz WEUOXCZQTABOGE-UTUOFQBUSA-N 2 2 282.388 -0.465 20 0 CBADLP CC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001111230769 811543179 /nfs/dbraw/zinc/54/31/79/811543179.db2.gz WEUOXCZQTABOGE-UTUOFQBUSA-N 2 2 282.388 -0.465 20 0 CBADLP CN(C[C@@H]1C[NH2+]CCO1)C(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001157720229 815456579 /nfs/dbraw/zinc/45/65/79/815456579.db2.gz DBAWKQPSJUEPRR-UONOGXRCSA-N 3 2 292.383 -0.295 20 0 CBADLP [NH3+]C1(C(=O)N2C[C@H](CO)C[C@H](F)C2)CC[NH2+]CC1 ZINC001157728806 815456620 /nfs/dbraw/zinc/45/66/20/815456620.db2.gz BRCZKSSLIMUABG-ZJUUUORDSA-N 2 2 259.325 -0.754 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1C[C@@H](F)C[C@H](CO)C1 ZINC001157731857 815459378 /nfs/dbraw/zinc/45/93/78/815459378.db2.gz XKTDWIKKICSPAG-NHCYSSNCSA-N 2 2 284.335 -0.531 20 0 CBADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1C[C@@H](F)C[C@H](CO)C1 ZINC001157731854 815459434 /nfs/dbraw/zinc/45/94/34/815459434.db2.gz XJSPUHZRAOJSQC-UHFZAUJKSA-N 2 2 271.336 -0.885 20 0 CBADLP COCCCC[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001112740070 811592256 /nfs/dbraw/zinc/59/22/56/811592256.db2.gz VPRKXYVYRARFQB-AWEZNQCLSA-N 2 2 299.415 -0.112 20 0 CBADLP COCCCC[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001112740070 811592261 /nfs/dbraw/zinc/59/22/61/811592261.db2.gz VPRKXYVYRARFQB-AWEZNQCLSA-N 2 2 299.415 -0.112 20 0 CBADLP [NH3+]C[C@@]1(F)CCCN(C(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)CC1 ZINC001157730814 815459458 /nfs/dbraw/zinc/45/94/58/815459458.db2.gz PLCHXSABUUALTN-DGCLKSJQSA-N 3 2 283.351 -0.041 20 0 CBADLP COC[C@H](O)C[NH+]1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001113106730 811617334 /nfs/dbraw/zinc/61/73/34/811617334.db2.gz GTSVUQWLXBMMQS-CYBMUJFWSA-N 2 2 296.371 -0.657 20 0 CBADLP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC[NH+](CCOCCO)CC1 ZINC001113346421 811633246 /nfs/dbraw/zinc/63/32/46/811633246.db2.gz ZFKHESSKUQLOAA-KBPBESRZSA-N 2 2 299.415 -0.663 20 0 CBADLP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC[NH+](CCOCCO)CC1 ZINC001113346421 811633249 /nfs/dbraw/zinc/63/32/49/811633249.db2.gz ZFKHESSKUQLOAA-KBPBESRZSA-N 2 2 299.415 -0.663 20 0 CBADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CCC[C@](O)(CF)CC1 ZINC001157780644 815465982 /nfs/dbraw/zinc/46/59/82/815465982.db2.gz HRRIRPMDKRHLKU-CIQGVGRVSA-N 2 2 285.363 -0.351 20 0 CBADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@](O)(CF)CC1 ZINC001157781978 815466207 /nfs/dbraw/zinc/46/62/07/815466207.db2.gz WGAPATUULKWIIQ-DGCLKSJQSA-N 2 2 284.335 -0.007 20 0 CBADLP COC[C@H](O)C[NH+]1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001113686705 811655758 /nfs/dbraw/zinc/65/57/58/811655758.db2.gz RMDLXULQIMMJOE-CYBMUJFWSA-N 2 2 287.404 -0.522 20 0 CBADLP COC[C@H](O)C[NH+]1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001113686705 811655764 /nfs/dbraw/zinc/65/57/64/811655764.db2.gz RMDLXULQIMMJOE-CYBMUJFWSA-N 2 2 287.404 -0.522 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N1CC[NH+](CCCO)CC1 ZINC001113687750 811656164 /nfs/dbraw/zinc/65/61/64/811656164.db2.gz JPGGDVGCCXFPJF-UHFFFAOYSA-N 2 2 257.378 -0.147 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N1CC[NH+](CCCO)CC1 ZINC001113687750 811656168 /nfs/dbraw/zinc/65/61/68/811656168.db2.gz JPGGDVGCCXFPJF-UHFFFAOYSA-N 2 2 257.378 -0.147 20 0 CBADLP COC(=O)[C@H]1C[C@H](C(=O)N2CC[C@@H](C)[C@@H]([NH3+])C2)CC[NH2+]1 ZINC001157798447 815466897 /nfs/dbraw/zinc/46/68/97/815466897.db2.gz BCDNSCDDLOMGFI-WISYIIOYSA-N 2 2 283.372 -0.277 20 0 CBADLP COC(=O)[C@H]1C[C@@H](C(=O)N2CC[C@@H](C)[C@@H]([NH3+])C2)CC[NH2+]1 ZINC001157798434 815466995 /nfs/dbraw/zinc/46/69/95/815466995.db2.gz BCDNSCDDLOMGFI-NOOOWODRSA-N 2 2 283.372 -0.277 20 0 CBADLP C[C@@H]1[C@H](C[NH3+])CCCN1C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001157844304 815470595 /nfs/dbraw/zinc/47/05/95/815470595.db2.gz VWXOMMRBBJAHRM-SCVCMEIPSA-N 3 2 265.361 -0.135 20 0 CBADLP C[C@H]1[C@H](C[NH3+])CCCN1C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001157842059 815470808 /nfs/dbraw/zinc/47/08/08/815470808.db2.gz IXKMOKSAHKPGFM-PJSNJIKXSA-N 3 2 266.389 -0.478 20 0 CBADLP C[C@H]1C[C@@H](CO)N(C(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)C1 ZINC001157853827 815472144 /nfs/dbraw/zinc/47/21/44/815472144.db2.gz PRKFFWUUROBJOM-DLOVCJGASA-N 2 2 266.345 -0.481 20 0 CBADLP C[C@H]1C[C@@H](CO)N(C(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)C1 ZINC001157853755 815472305 /nfs/dbraw/zinc/47/23/05/815472305.db2.gz NITVSAQHDYHTBX-MRBYEJRBSA-N 2 2 253.346 -0.833 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cc[nH+]c1 ZINC001114652786 811758922 /nfs/dbraw/zinc/75/89/22/811758922.db2.gz SSPFWSHCNFHGHF-DCQANWLSSA-N 2 2 291.355 -0.807 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cc[nH+]c1 ZINC001114652786 811758926 /nfs/dbraw/zinc/75/89/26/811758926.db2.gz SSPFWSHCNFHGHF-DCQANWLSSA-N 2 2 291.355 -0.807 20 0 CBADLP C[C@H]1CC[C@H](CO)CN1C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001157854733 815473052 /nfs/dbraw/zinc/47/30/52/815473052.db2.gz HROBDIJMVNZOFB-GVXVVHGQSA-N 2 2 280.372 -0.091 20 0 CBADLP C[C@H]1CC[C@@H](CO)N1C(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001157914736 815481224 /nfs/dbraw/zinc/48/12/24/815481224.db2.gz MSYVWZWFHKIGRL-ZPFDUUQYSA-N 2 2 253.346 -0.690 20 0 CBADLP C[NH+]1CCN(C(=[NH2+])Nc2cc(S(N)(=O)=O)ccn2)CC1 ZINC001157916418 815481241 /nfs/dbraw/zinc/48/12/41/815481241.db2.gz XQUNNYNKBAWACM-UHFFFAOYSA-N 2 2 298.372 -0.677 20 0 CBADLP C[NH+]1CCN(C(=[NH2+])Nc2cc(C(N)=O)ccn2)CC1 ZINC001157914881 815481283 /nfs/dbraw/zinc/48/12/83/815481283.db2.gz OAENHMIYTRYAAD-UHFFFAOYSA-N 2 2 262.317 -0.225 20 0 CBADLP O=C(N1C[C@H](CO)CC(F)(F)C1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001157901429 815479563 /nfs/dbraw/zinc/47/95/63/815479563.db2.gz ZYOQIBNZAMSADP-GBIKHYSHSA-N 2 2 289.326 -0.586 20 0 CBADLP CC1(C)CN(C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])[C@](C)(CO)C1 ZINC001157926382 815484702 /nfs/dbraw/zinc/48/47/02/815484702.db2.gz PJMRLFBQILLWOL-KWBADKCTSA-N 2 2 255.362 -0.457 20 0 CBADLP C[NH+]1CCN(c2nccc(-n3cnc(C[NH3+])n3)n2)CC1 ZINC001157931728 815484721 /nfs/dbraw/zinc/48/47/21/815484721.db2.gz WRAFYZHGNPHZSV-UHFFFAOYSA-N 2 2 274.332 -0.732 20 0 CBADLP O=C(N1CCC[C@](F)(CO)CC1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001157936202 815488303 /nfs/dbraw/zinc/48/83/03/815488303.db2.gz YQIQQUMUEBVTBQ-IACUBPJLSA-N 2 2 285.363 -0.349 20 0 CBADLP [NH3+]C1(C(=O)N2CCNCC(F)(F)C2)CC[NH2+]CC1 ZINC001157944281 815490727 /nfs/dbraw/zinc/49/07/27/815490727.db2.gz JIRBUONSYCORPC-UHFFFAOYSA-N 2 2 262.304 -0.866 20 0 CBADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@H]1[NH2+][C@H]2CC[C@@H]1C2 ZINC001158000555 815496524 /nfs/dbraw/zinc/49/65/24/815496524.db2.gz YSGWOLUUXVIKSB-KXNHARMFSA-N 2 2 281.356 -0.510 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@H]1C[C@@H](C)CC[NH2+]1 ZINC001157999109 815496822 /nfs/dbraw/zinc/49/68/22/815496822.db2.gz OSUVKUZKIXHANG-TUAOUCFPSA-N 2 2 283.372 -0.262 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1CCCC[NH2+]1 ZINC001157998938 815497223 /nfs/dbraw/zinc/49/72/23/815497223.db2.gz KWAXXBMWKKGUCV-QWRGUYRKSA-N 2 2 269.345 -0.508 20 0 CBADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@H]([NH2+]C)[C@@H](C)CC ZINC001158005670 815497889 /nfs/dbraw/zinc/49/78/89/815497889.db2.gz BCSNJSHTDOCNMW-QJPTWQEYSA-N 2 2 285.388 -0.016 20 0 CBADLP CC(C)(C)N(C[C@@H](O)CO)C(=O)C1([NH3+])CC[NH2+]CC1 ZINC001158014539 815498435 /nfs/dbraw/zinc/49/84/35/815498435.db2.gz NDSWBTZJXHDYPK-SNVBAGLBSA-N 2 2 273.377 -0.952 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@]1(C)CC[NH2+]C1 ZINC001158005673 815498498 /nfs/dbraw/zinc/49/84/98/815498498.db2.gz BCUKHUGUWRCNIX-GXFFZTMASA-N 2 2 269.345 -0.651 20 0 CBADLP [NH3+]C1CC2(C1)CCN(C(=O)C1([NH3+])CC[NH2+]CC1)CC2 ZINC001158082389 815502708 /nfs/dbraw/zinc/50/27/08/815502708.db2.gz PDPGQFQSHIGSDL-UHFFFAOYSA-N 3 2 266.389 -0.203 20 0 CBADLP [NH3+]C1(C(=O)N2CCC3(CCC[NH2+]3)CC2)CC[NH2+]CC1 ZINC001158168960 815508152 /nfs/dbraw/zinc/50/81/52/815508152.db2.gz KQQYEYGMRKDWCN-UHFFFAOYSA-N 3 2 266.389 -0.188 20 0 CBADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CCC2(C[C@H]2CCO)CC1 ZINC001158110740 815504997 /nfs/dbraw/zinc/50/49/97/815504997.db2.gz IOOANFRBTZTNNJ-RFQIPJPRSA-N 2 2 293.411 -0.053 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCC3(C[C@@H]3CCO)CC2)C1 ZINC001158111033 815505040 /nfs/dbraw/zinc/50/50/40/815505040.db2.gz JJNWRRDMHSAIES-TUAOUCFPSA-N 2 2 267.373 -0.313 20 0 CBADLP O=C(N1CCC[C@]12CCC[NH2+]C2)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001158159488 815507602 /nfs/dbraw/zinc/50/76/02/815507602.db2.gz CJQCAPRFLVGQAG-SNPRPXQTSA-N 3 2 278.400 -0.318 20 0 CBADLP O=C([C@H](CO)n1cc[nH+]c1)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158192890 815512052 /nfs/dbraw/zinc/51/20/52/815512052.db2.gz HWKHAEXDRDXVOJ-AXFHLTTASA-N 2 2 250.302 -0.621 20 0 CBADLP COc1cc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nc(C)n1 ZINC001158203545 815512230 /nfs/dbraw/zinc/51/22/30/815512230.db2.gz DQOCDUHORMIOBK-SECBINFHSA-N 2 2 263.301 -0.159 20 0 CBADLP COc1cc(C)nc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001158203954 815512860 /nfs/dbraw/zinc/51/28/60/815512860.db2.gz KCIMPJNOLIZCDM-SECBINFHSA-N 2 2 263.301 -0.159 20 0 CBADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ncc2c(n1)CCCN2 ZINC001158203522 815512922 /nfs/dbraw/zinc/51/29/22/815512922.db2.gz CDXAONOMQRPTKJ-SECBINFHSA-N 2 2 274.328 -0.118 20 0 CBADLP Cc1cnc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nc1C1C[NH2+]C1 ZINC001158209315 815513688 /nfs/dbraw/zinc/51/36/88/815513688.db2.gz QLQYYLISCGZJDT-LLVKDONJSA-N 3 2 288.355 -0.480 20 0 CBADLP NC(=O)c1c(Cl)ncnc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001158206579 815513775 /nfs/dbraw/zinc/51/37/75/815513775.db2.gz VJXRGNZUKOVISE-ZCFIWIBFSA-N 2 2 296.718 -0.723 20 0 CBADLP O=C(N1CCC2(COC2)C1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001158170062 815509415 /nfs/dbraw/zinc/50/94/15/815509415.db2.gz ZOGISSBMRZOTHL-MFKMUULPSA-N 2 2 251.330 -0.813 20 0 CBADLP O=C(N1CCC2(COC2)C1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001158170063 815509484 /nfs/dbraw/zinc/50/94/84/815509484.db2.gz ZOGISSBMRZOTHL-ZWNOBZJWSA-N 2 2 251.330 -0.813 20 0 CBADLP CCOc1nccnc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001158209123 815514264 /nfs/dbraw/zinc/51/42/64/815514264.db2.gz GXHOOTSLDZFYPN-SECBINFHSA-N 2 2 263.301 -0.077 20 0 CBADLP O=C(N1CC2(C1)CCCO2)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001158235771 815515258 /nfs/dbraw/zinc/51/52/58/815515258.db2.gz QBVIWPWKXGJOFB-MFKMUULPSA-N 2 2 251.330 -0.671 20 0 CBADLP NC(=O)c1ccc(N2CCC([N@@H+]3CC[C@H]([NH3+])C3)CC2)nn1 ZINC001158259621 815516974 /nfs/dbraw/zinc/51/69/74/815516974.db2.gz TVZLBAJNMAXZHL-JTQLQIEISA-N 2 2 290.371 -0.423 20 0 CBADLP NC(=O)c1ccc(N2CCC([N@H+]3CC[C@H]([NH3+])C3)CC2)nn1 ZINC001158259621 815516978 /nfs/dbraw/zinc/51/69/78/815516978.db2.gz TVZLBAJNMAXZHL-JTQLQIEISA-N 2 2 290.371 -0.423 20 0 CBADLP [NH3+]Cc1cc(N2CCC([N@@H+]3CC[C@@H]([NH3+])C3)CC2)ncn1 ZINC001158259289 815517404 /nfs/dbraw/zinc/51/74/04/815517404.db2.gz PYDSEZQTDJRHNM-LLVKDONJSA-N 3 2 276.388 -0.063 20 0 CBADLP [NH3+]Cc1cc(N2CCC([N@H+]3CC[C@@H]([NH3+])C3)CC2)ncn1 ZINC001158259289 815517410 /nfs/dbraw/zinc/51/74/10/815517410.db2.gz PYDSEZQTDJRHNM-LLVKDONJSA-N 3 2 276.388 -0.063 20 0 CBADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1C[C@@H]2OCC(F)(F)[C@@H]2C1 ZINC001158318969 815519373 /nfs/dbraw/zinc/51/93/73/815519373.db2.gz BRIZZDOETZGAAF-HWUMTFDVSA-N 2 2 287.310 -0.571 20 0 CBADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H]2OCC(F)(F)[C@@H]2C1 ZINC001158319312 815519688 /nfs/dbraw/zinc/51/96/88/815519688.db2.gz DOCIQRFCQVMZSR-UTLUCORTSA-N 2 2 286.282 -0.228 20 0 CBADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H]2OCC(F)(F)[C@@H]2C1 ZINC001158319311 815519773 /nfs/dbraw/zinc/51/97/73/815519773.db2.gz DOCIQRFCQVMZSR-BBBLOLIVSA-N 2 2 286.282 -0.228 20 0 CBADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CC[C@@H]2CCO[C@H]2C1 ZINC001158339588 815521396 /nfs/dbraw/zinc/52/13/96/815521396.db2.gz RZQDGWSRKKFNSR-SJHCENCUSA-N 2 2 265.357 -0.426 20 0 CBADLP CC[NH+]1CCC([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)CC1 ZINC001118085515 812468897 /nfs/dbraw/zinc/46/88/97/812468897.db2.gz GMTFLWWLPIKYMX-HNNXBMFYSA-N 3 2 284.448 -0.331 20 0 CBADLP Cc1[nH+]c[nH]c1CNC(=O)c1cn(CCC[NH3+])nn1 ZINC001118222326 812499079 /nfs/dbraw/zinc/49/90/79/812499079.db2.gz XXIGPQSHWBHFGA-UHFFFAOYSA-N 2 2 263.305 -0.412 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@H]1CC[NH2+][C@H]1C ZINC001118255855 812510246 /nfs/dbraw/zinc/51/02/46/812510246.db2.gz GPBGWOXCHCPRDM-DCAQKATOSA-N 2 2 269.345 -0.652 20 0 CBADLP CC[C@@H]1C[N@H+](CC(=O)N2CC[NH2+]CC2)CC[C@H]1[NH3+] ZINC001118264235 812511246 /nfs/dbraw/zinc/51/12/46/812511246.db2.gz ZCCSJNMVHUGWAC-VXGBXAGGSA-N 3 2 254.378 -0.523 20 0 CBADLP CC[C@@H]1C[N@@H+](CC(=O)N2CC[NH2+]CC2)CC[C@H]1[NH3+] ZINC001118264235 812511249 /nfs/dbraw/zinc/51/12/49/812511249.db2.gz ZCCSJNMVHUGWAC-VXGBXAGGSA-N 3 2 254.378 -0.523 20 0 CBADLP CCS(=O)(=O)C1CC[NH+](CCOCC[NH3+])CC1 ZINC001118263938 812511810 /nfs/dbraw/zinc/51/18/10/812511810.db2.gz POKCQWFUHIUBRW-UHFFFAOYSA-N 2 2 264.391 -0.139 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H](N)CC[NH+](C)C ZINC001118273412 812516417 /nfs/dbraw/zinc/51/64/17/812516417.db2.gz VSFJFYZGFKIAGL-QWRGUYRKSA-N 2 2 253.350 -0.333 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H](N)CC[NH+](C)C ZINC001118273411 812516472 /nfs/dbraw/zinc/51/64/72/812516472.db2.gz VSFJFYZGFKIAGL-MNOVXSKESA-N 2 2 253.350 -0.333 20 0 CBADLP COC[C@H](CO)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC001118325472 812529391 /nfs/dbraw/zinc/52/93/91/812529391.db2.gz IRPTXCOGCFARIS-STQMWFEESA-N 2 2 258.362 -0.163 20 0 CBADLP C[N@@H+]1CCC[C@H]1c1cc(C(=O)NCCC[NH2+]CCO)[nH]n1 ZINC001158471631 815535365 /nfs/dbraw/zinc/53/53/65/815535365.db2.gz MOYCMXDTFXVVTP-ZDUSSCGKSA-N 2 2 295.387 -0.122 20 0 CBADLP C[N@H+]1CCC[C@H]1c1cc(C(=O)NCCC[NH2+]CCO)[nH]n1 ZINC001158471631 815535370 /nfs/dbraw/zinc/53/53/70/815535370.db2.gz MOYCMXDTFXVVTP-ZDUSSCGKSA-N 2 2 295.387 -0.122 20 0 CBADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H](CF)[C@@H](C2([NH3+])CC2)C1 ZINC001158567170 815538521 /nfs/dbraw/zinc/53/85/21/815538521.db2.gz FKTJUIFUYOTHIC-ZMLRMANQSA-N 3 2 295.362 -0.185 20 0 CBADLP [NH3+]C1([C@@H]2CN(C(=O)[C@@H]3C[C@H]4C[NH2+]C[C@H]4[NH2+]3)C[C@H]2CF)CC1 ZINC001158566316 815538046 /nfs/dbraw/zinc/53/80/46/815538046.db2.gz BSOWKIJGDADURX-CKIKVBCHSA-N 3 2 296.390 -0.528 20 0 CBADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N2C[C@H](CF)[C@H](C3([NH3+])CC3)C2)C1 ZINC001158576607 815539365 /nfs/dbraw/zinc/53/93/65/815539365.db2.gz CCPJKOXRIMNRTF-MMWGEVLESA-N 3 2 270.352 -0.789 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3CCNC3=O)C2)CC1 ZINC001118660190 812594959 /nfs/dbraw/zinc/59/49/59/812594959.db2.gz CBDQHJKHXVIYDY-WCQYABFASA-N 2 2 294.399 -0.593 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3CCNC3=O)C2)CC1 ZINC001118660190 812594961 /nfs/dbraw/zinc/59/49/61/812594961.db2.gz CBDQHJKHXVIYDY-WCQYABFASA-N 2 2 294.399 -0.593 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H]3CCNC3=O)C2)CC1 ZINC001118660189 812595334 /nfs/dbraw/zinc/59/53/34/812595334.db2.gz CBDQHJKHXVIYDY-DGCLKSJQSA-N 2 2 294.399 -0.593 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H]3CCNC3=O)C2)CC1 ZINC001118660189 812595338 /nfs/dbraw/zinc/59/53/38/812595338.db2.gz CBDQHJKHXVIYDY-DGCLKSJQSA-N 2 2 294.399 -0.593 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNc1cc(C2C[NH2+]C2)ncn1 ZINC001158709815 815543500 /nfs/dbraw/zinc/54/35/00/815543500.db2.gz IJCLWZXDBXBGJK-NSHDSACASA-N 2 2 263.345 -0.094 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNc1cc(C2C[NH2+]C2)ncn1 ZINC001158709815 815543508 /nfs/dbraw/zinc/54/35/08/815543508.db2.gz IJCLWZXDBXBGJK-NSHDSACASA-N 2 2 263.345 -0.094 20 0 CBADLP CO[C@@H]1CN(c2cc(N3CCOCC3)[nH+]cn2)C[C@@H]1[NH3+] ZINC001158703985 815543707 /nfs/dbraw/zinc/54/37/07/815543707.db2.gz GKHYMKUSPSKSHG-WDEREUQCSA-N 2 2 279.344 -0.525 20 0 CBADLP CCN(CC[NH3+])C(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC001118925085 812664633 /nfs/dbraw/zinc/66/46/33/812664633.db2.gz NDSYNNXXNLCEJI-JTQLQIEISA-N 2 2 279.344 -0.879 20 0 CBADLP CN(C)C(=O)C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC001119253141 812732594 /nfs/dbraw/zinc/73/25/94/812732594.db2.gz AJTCFJSCFVXWPV-UHFFFAOYSA-N 2 2 268.405 -0.214 20 0 CBADLP C[NH2+]C[C@@H](C)CNC(=O)/C=C\C[NH+]1CCOCC1 ZINC001119291503 812743293 /nfs/dbraw/zinc/74/32/93/812743293.db2.gz OVEBQSZFUUWLDF-VSQXVHSFSA-N 2 2 255.362 -0.154 20 0 CBADLP C[NH2+]C[C@@H](C)CNC(=O)/C=C/C[NH+]1CCOCC1 ZINC001119291500 812743466 /nfs/dbraw/zinc/74/34/66/812743466.db2.gz OVEBQSZFUUWLDF-AAOUONPWSA-N 2 2 255.362 -0.154 20 0 CBADLP C[C@@H](CNC(=O)CCC1C[NH2+]C1)[NH+]1CCN(C)CC1 ZINC001119296651 812745467 /nfs/dbraw/zinc/74/54/67/812745467.db2.gz YZROLNORTIIBCU-LBPRGKRZSA-N 2 2 268.405 -0.262 20 0 CBADLP C[NH+]1CC2(CN(c3ccnc(N4CC[NH+](C)CC4)n3)C2)C1 ZINC001158869279 815550761 /nfs/dbraw/zinc/55/07/61/815550761.db2.gz ZAGALZVPBAWFLN-UHFFFAOYSA-N 2 2 288.399 -0.020 20 0 CBADLP CC1(C)CN(C(=O)C(=O)N2CCn3c[nH+]cc3C2)C[C@@H]1[NH3+] ZINC001119544160 812805233 /nfs/dbraw/zinc/80/52/33/812805233.db2.gz GEKFJAQEJSNCHT-NSHDSACASA-N 2 2 291.355 -0.579 20 0 CBADLP COCc1n[nH]c2c1CN(C(=O)[C@@]13C[NH2+]C[C@@H]1CC[NH2+]3)C2 ZINC001159090959 815558585 /nfs/dbraw/zinc/55/85/85/815558585.db2.gz IKBMINNKLWWIJH-LKFCYVNXSA-N 2 2 291.355 -0.650 20 0 CBADLP COCc1n[nH]c2c1CN(C(=O)[C@]13C[NH2+]C[C@H]1CC[NH2+]3)C2 ZINC001159090960 815558981 /nfs/dbraw/zinc/55/89/81/815558981.db2.gz IKBMINNKLWWIJH-OTYXRUKQSA-N 2 2 291.355 -0.650 20 0 CBADLP CCO[C@@H]1CN(C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])[C@@H]2CCCO[C@H]12 ZINC001159084494 815557706 /nfs/dbraw/zinc/55/77/06/815557706.db2.gz LUBPKQNYEBTWLJ-YYHQMBLXSA-N 2 2 283.372 -0.672 20 0 CBADLP CC(C)[N@H+](C)CCNC[C@@H](O)C[NH+]1CCN(C)CC1 ZINC001120576584 812994941 /nfs/dbraw/zinc/99/49/41/812994941.db2.gz LAXGQXVTFVVFFI-CQSZACIVSA-N 2 2 272.437 -0.476 20 0 CBADLP CC(C)[N@@H+](C)CCNC[C@@H](O)C[NH+]1CCN(C)CC1 ZINC001120576584 812994944 /nfs/dbraw/zinc/99/49/44/812994944.db2.gz LAXGQXVTFVVFFI-CQSZACIVSA-N 2 2 272.437 -0.476 20 0 CBADLP O[C@@H](C[NH2+][C@@H]1Cc2cncn2C1)C[NH+]1CCCC1 ZINC001120602740 812998577 /nfs/dbraw/zinc/99/85/77/812998577.db2.gz GUOWVTLIYNTHKD-YPMHNXCESA-N 2 2 250.346 -0.146 20 0 CBADLP Cc1nc(N[C@@H](CO)CNC(=O)[C@H]2CCC[N@H+]2C)cc[nH+]1 ZINC001121241727 813056135 /nfs/dbraw/zinc/05/61/35/813056135.db2.gz OAZOEQGADDFZTG-VXGBXAGGSA-N 2 2 293.371 -0.232 20 0 CBADLP Cc1nc(N[C@@H](CO)CNC(=O)[C@H]2CCC[N@@H+]2C)cc[nH+]1 ZINC001121241727 813056140 /nfs/dbraw/zinc/05/61/40/813056140.db2.gz OAZOEQGADDFZTG-VXGBXAGGSA-N 2 2 293.371 -0.232 20 0 CBADLP COCC[N@@H+]1CC[C@H](NC(=O)C[C@@H]([NH3+])C(F)F)C1 ZINC001121920692 813090116 /nfs/dbraw/zinc/09/01/16/813090116.db2.gz KGQDADVRORMLHV-DTWKUNHWSA-N 2 2 265.304 -0.194 20 0 CBADLP COCC[N@H+]1CC[C@H](NC(=O)C[C@@H]([NH3+])C(F)F)C1 ZINC001121920692 813090122 /nfs/dbraw/zinc/09/01/22/813090122.db2.gz KGQDADVRORMLHV-DTWKUNHWSA-N 2 2 265.304 -0.194 20 0 CBADLP CN(CCCn1cc[nH+]c1)C(=O)[C@]1(C)C[C@H](O)C[NH2+]1 ZINC001121970565 813097349 /nfs/dbraw/zinc/09/73/49/813097349.db2.gz XXHNJKYIWJIRFF-AAEUAGOBSA-N 2 2 266.345 -0.156 20 0 CBADLP [NH3+][C@@H](CC(=O)NCC[N@@H+]1CCCOCC1)C(F)F ZINC001121963667 813097993 /nfs/dbraw/zinc/09/79/93/813097993.db2.gz KOMCFIWDSRYSRU-VIFPVBQESA-N 2 2 265.304 -0.193 20 0 CBADLP [NH3+][C@@H](CC(=O)NCC[N@H+]1CCCOCC1)C(F)F ZINC001121963667 813098001 /nfs/dbraw/zinc/09/80/01/813098001.db2.gz KOMCFIWDSRYSRU-VIFPVBQESA-N 2 2 265.304 -0.193 20 0 CBADLP C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC001121990846 813100951 /nfs/dbraw/zinc/10/09/51/813100951.db2.gz IZPVDALFUVZZRY-VWYCJHECSA-N 2 2 254.334 -0.396 20 0 CBADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1COC2(C[NH2+]C2)C1 ZINC001122063913 813112138 /nfs/dbraw/zinc/11/21/38/813112138.db2.gz QLLDOIZPDZLVDD-GXSJLCMTSA-N 2 2 264.329 -0.165 20 0 CBADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1COC2(C[NH2+]C2)C1 ZINC001122063913 813112144 /nfs/dbraw/zinc/11/21/44/813112144.db2.gz QLLDOIZPDZLVDD-GXSJLCMTSA-N 2 2 264.329 -0.165 20 0 CBADLP CC(C)C[C@@H](C(=O)NC[C@H](O)C[NH3+])n1cc[nH+]c1 ZINC001122072708 813113226 /nfs/dbraw/zinc/11/32/26/813113226.db2.gz DGVKSOFPVFNGAG-MNOVXSKESA-N 2 2 254.334 -0.094 20 0 CBADLP C[NH2+]CCOCCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001122089193 813115766 /nfs/dbraw/zinc/11/57/66/813115766.db2.gz RKUOSLANQLXDJE-SNVBAGLBSA-N 2 2 254.334 -0.060 20 0 CBADLP C[NH2+]CCOCCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001122089193 813115771 /nfs/dbraw/zinc/11/57/71/813115771.db2.gz RKUOSLANQLXDJE-SNVBAGLBSA-N 2 2 254.334 -0.060 20 0 CBADLP [NH3+]CC1(NC(=O)C[C@@H]([NH3+])C(F)F)CCOCC1 ZINC001122096083 813116976 /nfs/dbraw/zinc/11/69/76/813116976.db2.gz ODQGQRBYFFGPBF-SSDOTTSWSA-N 2 2 251.277 -0.407 20 0 CBADLP CC[C@H]1N(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)CCC[C@]12CCC(=O)N2 ZINC001159584626 815580874 /nfs/dbraw/zinc/58/08/74/815580874.db2.gz KYLYJZMYNQPKBY-ZAZJYDDPSA-N 2 2 294.399 -0.275 20 0 CBADLP CC[C@@H](C(=O)NCC[NH+]1CCC([NH3+])CC1)[NH+](C)C ZINC001122157674 813126075 /nfs/dbraw/zinc/12/60/75/813126075.db2.gz SBTNCYAZAMYOMW-LBPRGKRZSA-N 3 2 256.394 -0.134 20 0 CBADLP [NH3+][C@@H](CC(F)F)C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001122157791 813126208 /nfs/dbraw/zinc/12/62/08/813126208.db2.gz VQNUQOJSLFHOLE-VIFPVBQESA-N 3 2 264.320 -0.492 20 0 CBADLP [NH3+][C@]1(CO)CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001122205076 813133178 /nfs/dbraw/zinc/13/31/78/813133178.db2.gz BPWACVCBSSZXPP-GIPNMCIBSA-N 2 2 264.329 -0.175 20 0 CBADLP [NH3+][C@]1(CO)CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001122205076 813133184 /nfs/dbraw/zinc/13/31/84/813133184.db2.gz BPWACVCBSSZXPP-GIPNMCIBSA-N 2 2 264.329 -0.175 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)NCCC[NH2+][C@@H]1CCNC1=O ZINC001159537386 815579963 /nfs/dbraw/zinc/57/99/63/815579963.db2.gz XAQYQYHHKTUZKQ-LLVKDONJSA-N 2 2 279.344 -0.673 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)NCCC[NH2+][C@@H]1CCNC1=O ZINC001159537386 815579969 /nfs/dbraw/zinc/57/99/69/815579969.db2.gz XAQYQYHHKTUZKQ-LLVKDONJSA-N 2 2 279.344 -0.673 20 0 CBADLP [NH3+]CCC[C@@H]([NH3+])Nc1cc(N2CCOCC2)[nH+]cn1 ZINC001159780233 815594933 /nfs/dbraw/zinc/59/49/33/815594933.db2.gz UXNYWDGHNCIBJX-JTQLQIEISA-N 3 2 266.349 -0.251 20 0 CBADLP O=C(/C=C/C[NH+]1CCOCC1)N[C@H]1C[NH2+]CC12CC2 ZINC001122498075 813170263 /nfs/dbraw/zinc/17/02/63/813170263.db2.gz JSCPEABALBWSJP-ISUDXETCSA-N 2 2 265.357 -0.257 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1csnn1 ZINC001124872418 813490955 /nfs/dbraw/zinc/49/09/55/813490955.db2.gz FPJLJXXWQFGIMA-SNVBAGLBSA-N 2 2 269.374 -0.162 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1csnn1 ZINC001124872418 813490959 /nfs/dbraw/zinc/49/09/59/813490959.db2.gz FPJLJXXWQFGIMA-SNVBAGLBSA-N 2 2 269.374 -0.162 20 0 CBADLP C[C@@H]([NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C)c1nnnn1C ZINC001124879122 813494452 /nfs/dbraw/zinc/49/44/52/813494452.db2.gz QFDNLIVCOJPPAS-NXEZZACHSA-N 2 2 281.364 -0.929 20 0 CBADLP C[C@@H]([NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C)c1nnnn1C ZINC001124879122 813494454 /nfs/dbraw/zinc/49/44/54/813494454.db2.gz QFDNLIVCOJPPAS-NXEZZACHSA-N 2 2 281.364 -0.929 20 0 CBADLP CCc1nocc1C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125214075 813531594 /nfs/dbraw/zinc/53/15/94/813531594.db2.gz OKBJMQQIYQAGPX-CYBMUJFWSA-N 2 2 296.371 -0.227 20 0 CBADLP CCc1nocc1C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125214075 813531603 /nfs/dbraw/zinc/53/16/03/813531603.db2.gz OKBJMQQIYQAGPX-CYBMUJFWSA-N 2 2 296.371 -0.227 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2ccc(F)cn2)C1 ZINC001125213083 813533004 /nfs/dbraw/zinc/53/30/04/813533004.db2.gz AWNGMLAGPIRESO-CYBMUJFWSA-N 2 2 296.346 -0.243 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2ccc(F)cn2)C1 ZINC001125213083 813533009 /nfs/dbraw/zinc/53/30/09/813533009.db2.gz AWNGMLAGPIRESO-CYBMUJFWSA-N 2 2 296.346 -0.243 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2nccs2)C1 ZINC001125213791 813533564 /nfs/dbraw/zinc/53/35/64/813533564.db2.gz LCUCHBVRRIHDJB-JTQLQIEISA-N 2 2 284.385 -0.321 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2nccs2)C1 ZINC001125213791 813533572 /nfs/dbraw/zinc/53/35/72/813533572.db2.gz LCUCHBVRRIHDJB-JTQLQIEISA-N 2 2 284.385 -0.321 20 0 CBADLP Cc1cnc(C[NH2+]CCNC(=O)[C@H]2C[N@H+](C)CCO2)cn1 ZINC001125222845 813535417 /nfs/dbraw/zinc/53/54/17/813535417.db2.gz XOFVGYVTQQUGMB-CYBMUJFWSA-N 2 2 293.371 -0.679 20 0 CBADLP Cc1cnc(C[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)CCO2)cn1 ZINC001125222845 813535424 /nfs/dbraw/zinc/53/54/24/813535424.db2.gz XOFVGYVTQQUGMB-CYBMUJFWSA-N 2 2 293.371 -0.679 20 0 CBADLP Cc1oncc1C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125222375 813535872 /nfs/dbraw/zinc/53/58/72/813535872.db2.gz VLHNKUYPXDYUDC-LBPRGKRZSA-N 2 2 282.344 -0.481 20 0 CBADLP Cc1oncc1C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125222375 813535877 /nfs/dbraw/zinc/53/58/77/813535877.db2.gz VLHNKUYPXDYUDC-LBPRGKRZSA-N 2 2 282.344 -0.481 20 0 CBADLP C[C@H]([NH2+]CCNC(=O)Cc1cn2c([nH+]1)CCCC2)C(N)=O ZINC001127785759 813748818 /nfs/dbraw/zinc/74/88/18/813748818.db2.gz PQWJSEJEKYIZMY-JTQLQIEISA-N 2 2 293.371 -0.659 20 0 CBADLP CC(C)(C)NC(=O)C[NH2+]CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001128986466 813813148 /nfs/dbraw/zinc/81/31/48/813813148.db2.gz XYOUIYRAXBIXCV-UHFFFAOYSA-N 2 2 295.387 -0.037 20 0 CBADLP CCCNC(=O)[C@H](C)[NH2+]CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001128992316 813813927 /nfs/dbraw/zinc/81/39/27/813813927.db2.gz ZTEBZXBGJJABOQ-NSHDSACASA-N 2 2 295.387 -0.037 20 0 CBADLP CCCNC(=O)[C@H](C)[NH2+]CCNC(=O)CCc1c[nH+]c[nH]1 ZINC001128992316 813813936 /nfs/dbraw/zinc/81/39/36/813813936.db2.gz ZTEBZXBGJJABOQ-NSHDSACASA-N 2 2 295.387 -0.037 20 0 CBADLP CN1CC[C@H]([NH2+]CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1=O ZINC001129892942 813875414 /nfs/dbraw/zinc/87/54/14/813875414.db2.gz FNYFEKZPRKXOGY-MXWKQRLJSA-N 2 2 291.355 -0.550 20 0 CBADLP C[C@H]([NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(N)=O ZINC001129891400 813877171 /nfs/dbraw/zinc/87/71/71/813877171.db2.gz KNZPDBAAJYVKMB-DJLDLDEBSA-N 2 2 265.317 -0.907 20 0 CBADLP COC[C@H](O)C[NH2+]CCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001130164775 813914037 /nfs/dbraw/zinc/91/40/37/813914037.db2.gz FTAVNZHENBSZPO-GFCCVEGCSA-N 2 2 298.387 -0.360 20 0 CBADLP CC[C@H](C(=O)NCC[NH2+]Cc1nc(N(C)C)no1)[NH+](C)C ZINC001130197944 813916073 /nfs/dbraw/zinc/91/60/73/813916073.db2.gz SELRQSCNYPTIEG-SNVBAGLBSA-N 2 2 298.391 -0.318 20 0 CBADLP CC[C@H](C(=O)NCC[NH2+]Cc1nnc(C)[nH]1)[NH+](C)C ZINC001130203662 813917887 /nfs/dbraw/zinc/91/78/87/813917887.db2.gz RYZFOZUKDPXISK-SNVBAGLBSA-N 2 2 268.365 -0.341 20 0 CBADLP CCn1ncc(C[NH2+]CCNC(=O)[C@@H]2CCCC[N@@H+]2C)n1 ZINC001130296722 813923151 /nfs/dbraw/zinc/92/31/51/813923151.db2.gz BMOATFSNGQLIBT-ZDUSSCGKSA-N 2 2 294.403 -0.012 20 0 CBADLP CCn1ncc(C[NH2+]CCNC(=O)[C@@H]2CCCC[N@H+]2C)n1 ZINC001130296722 813923155 /nfs/dbraw/zinc/92/31/55/813923155.db2.gz BMOATFSNGQLIBT-ZDUSSCGKSA-N 2 2 294.403 -0.012 20 0 CBADLP CCn1ncnc1C[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001130297295 813924473 /nfs/dbraw/zinc/92/44/73/813924473.db2.gz KEJZUVIZUICZPS-GFCCVEGCSA-N 2 2 294.403 -0.012 20 0 CBADLP CCn1ncnc1C[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001130297295 813924477 /nfs/dbraw/zinc/92/44/77/813924477.db2.gz KEJZUVIZUICZPS-GFCCVEGCSA-N 2 2 294.403 -0.012 20 0 CBADLP CCn1ncnc1C[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001130297297 813924493 /nfs/dbraw/zinc/92/44/93/813924493.db2.gz KEJZUVIZUICZPS-LBPRGKRZSA-N 2 2 294.403 -0.012 20 0 CBADLP CCn1ncnc1C[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001130297297 813924497 /nfs/dbraw/zinc/92/44/97/813924497.db2.gz KEJZUVIZUICZPS-LBPRGKRZSA-N 2 2 294.403 -0.012 20 0 CBADLP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C)c1nnnn1C ZINC001130300617 813925625 /nfs/dbraw/zinc/92/56/25/813925625.db2.gz SMBAUSIMSNBWBD-MNOVXSKESA-N 2 2 295.391 -0.539 20 0 CBADLP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C)c1nnnn1C ZINC001130300617 813925629 /nfs/dbraw/zinc/92/56/29/813925629.db2.gz SMBAUSIMSNBWBD-MNOVXSKESA-N 2 2 295.391 -0.539 20 0 CBADLP Cn1ncnc1C[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001130297661 813925884 /nfs/dbraw/zinc/92/58/84/813925884.db2.gz OKZUGTQBEKSHAL-NSHDSACASA-N 2 2 280.376 -0.495 20 0 CBADLP Cn1ncnc1C[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001130297661 813925890 /nfs/dbraw/zinc/92/58/90/813925890.db2.gz OKZUGTQBEKSHAL-NSHDSACASA-N 2 2 280.376 -0.495 20 0 CBADLP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1)C(N)=O ZINC001130404373 813936391 /nfs/dbraw/zinc/93/63/91/813936391.db2.gz ISJGIAYLPKGLOT-NXEZZACHSA-N 2 2 279.344 -0.975 20 0 CBADLP O=C(NCC[NH2+][C@@H]1CCNC1=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001130405052 813936775 /nfs/dbraw/zinc/93/67/75/813936775.db2.gz VZZBGQSTURZRPT-CMPLNLGQSA-N 2 2 291.355 -0.960 20 0 CBADLP O=C(NCC[NH2+][C@@H]1CCNC1=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001130405055 813936918 /nfs/dbraw/zinc/93/69/18/813936918.db2.gz VZZBGQSTURZRPT-ZYHUDNBSSA-N 2 2 291.355 -0.960 20 0 CBADLP C[C@@H](O)C[NH2+]CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001130477535 813943222 /nfs/dbraw/zinc/94/32/22/813943222.db2.gz GIJKGRQHIQJTDD-MNOVXSKESA-N 2 2 266.345 -0.468 20 0 CBADLP COCC[NH2+]CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001130481607 813943351 /nfs/dbraw/zinc/94/33/51/813943351.db2.gz XLYMQCGUBLBTCQ-NSHDSACASA-N 2 2 266.345 -0.202 20 0 CBADLP C[C@H]([NH2+]CCNC(=O)[C@H]1CCc2[nH+]ccn2C1)C(N)=O ZINC001130477181 813943754 /nfs/dbraw/zinc/94/37/54/813943754.db2.gz BZMCPVUQMLWTKE-UWVGGRQHSA-N 2 2 279.344 -0.975 20 0 CBADLP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1)C(N)=O ZINC001130477180 813944095 /nfs/dbraw/zinc/94/40/95/813944095.db2.gz BZMCPVUQMLWTKE-NXEZZACHSA-N 2 2 279.344 -0.975 20 0 CBADLP O=C(NCC[NH2+][C@@H]1CCNC1=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001130477580 813944171 /nfs/dbraw/zinc/94/41/71/813944171.db2.gz HCABSMFZEFJMHA-GHMZBOCLSA-N 2 2 291.355 -0.960 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001130487477 813944310 /nfs/dbraw/zinc/94/43/10/813944310.db2.gz GUIGLHXVYATORZ-WDEREUQCSA-N 2 2 293.371 -0.714 20 0 CBADLP O=C(NCC[NH2+]CCOCCO)[C@H]1CCc2c[nH+]cn2C1 ZINC001130488576 813945120 /nfs/dbraw/zinc/94/51/20/813945120.db2.gz RQYODMGGKOYPQH-LBPRGKRZSA-N 2 2 296.371 -0.840 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NCC[NH2+]Cc1cnns1 ZINC001131385434 814027136 /nfs/dbraw/zinc/02/71/36/814027136.db2.gz RGVQFNWMSOJOBE-UHFFFAOYSA-N 2 2 280.357 -0.051 20 0 CBADLP C[C@@H](O)C[NH2+]CCNC(=O)CCc1[nH+]ccn1C ZINC001131653816 814051758 /nfs/dbraw/zinc/05/17/58/814051758.db2.gz VCSJFBWVGVYDOZ-SNVBAGLBSA-N 2 2 254.334 -0.561 20 0 CBADLP CC(C)N(C)C(=O)C[NH2+]CCNC(=O)CCn1cc[nH+]c1 ZINC001132079691 814099257 /nfs/dbraw/zinc/09/92/57/814099257.db2.gz IIMZJRQIMNBGLF-UHFFFAOYSA-N 2 2 295.387 -0.154 20 0 CBADLP C[C@@H]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C[N@@H+]1CC(N)=O ZINC001132106370 814102233 /nfs/dbraw/zinc/10/22/33/814102233.db2.gz TZDOFRCEYWFEIJ-VXGBXAGGSA-N 2 2 296.415 -0.075 20 0 CBADLP C[C@@H]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C[N@H+]1CC(N)=O ZINC001132106370 814102237 /nfs/dbraw/zinc/10/22/37/814102237.db2.gz TZDOFRCEYWFEIJ-VXGBXAGGSA-N 2 2 296.415 -0.075 20 0 CBADLP C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C[NH2+]CC(N)=O ZINC001133135659 814220599 /nfs/dbraw/zinc/22/05/99/814220599.db2.gz VFLSUWSABRSVIG-QWRGUYRKSA-N 2 2 293.371 -0.488 20 0 CBADLP COCc1noc([C@@H](C)[NH2+]CCNC(=O)CC[NH+](C)C)n1 ZINC001133297939 814239688 /nfs/dbraw/zinc/23/96/88/814239688.db2.gz TYKRIUIWQHYOAW-SNVBAGLBSA-N 2 2 299.375 -0.066 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001133663538 814283146 /nfs/dbraw/zinc/28/31/46/814283146.db2.gz FMKXERZWJCSQIQ-VHSXEESVSA-N 2 2 293.371 -0.330 20 0 CBADLP Cc1nnc(C[NH2+]CCNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)o1 ZINC001133870124 814317050 /nfs/dbraw/zinc/31/70/50/814317050.db2.gz QFIFODDWAPDLME-GXSJLCMTSA-N 2 2 281.360 -0.218 20 0 CBADLP Cc1nnc(C[NH2+]CCNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)o1 ZINC001133870124 814317058 /nfs/dbraw/zinc/31/70/58/814317058.db2.gz QFIFODDWAPDLME-GXSJLCMTSA-N 2 2 281.360 -0.218 20 0 CBADLP Cc1nnc(C[NH2+]CCNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)o1 ZINC001133870126 814317372 /nfs/dbraw/zinc/31/73/72/814317372.db2.gz QFIFODDWAPDLME-MWLCHTKSSA-N 2 2 281.360 -0.218 20 0 CBADLP Cc1nnc(C[NH2+]CCNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)o1 ZINC001133870126 814317380 /nfs/dbraw/zinc/31/73/80/814317380.db2.gz QFIFODDWAPDLME-MWLCHTKSSA-N 2 2 281.360 -0.218 20 0 CBADLP Cc1nnc(C[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)o1 ZINC001133870125 814318689 /nfs/dbraw/zinc/31/86/89/814318689.db2.gz QFIFODDWAPDLME-KOLCDFICSA-N 2 2 281.360 -0.218 20 0 CBADLP Cc1nnc(C[NH2+]CCNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)o1 ZINC001133870125 814318698 /nfs/dbraw/zinc/31/86/98/814318698.db2.gz QFIFODDWAPDLME-KOLCDFICSA-N 2 2 281.360 -0.218 20 0 CBADLP COC[C@H](O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001134049407 814346199 /nfs/dbraw/zinc/34/61/99/814346199.db2.gz GFWQDDUZOWGEMD-IJLUTSLNSA-N 2 2 296.371 -0.763 20 0 CBADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[NH2+]CCOCCO ZINC001134042664 814347433 /nfs/dbraw/zinc/34/74/33/814347433.db2.gz LDFNGMQUSWEZOZ-VXGBXAGGSA-N 2 2 296.371 -0.762 20 0 CBADLP CC(C)CNC(=O)[C@H](C)[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001134400314 814379230 /nfs/dbraw/zinc/37/92/30/814379230.db2.gz JTQURMBZXGDYLE-NSHDSACASA-N 2 2 295.387 -0.181 20 0 CBADLP CC(C)NC(=O)NCC[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001134397862 814379347 /nfs/dbraw/zinc/37/93/47/814379347.db2.gz WQXQUYLSGWBHAA-UHFFFAOYSA-N 2 2 296.375 -0.634 20 0 CBADLP CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001134400677 814379595 /nfs/dbraw/zinc/37/95/95/814379595.db2.gz MXCZAXPWUDKNKT-GHMZBOCLSA-N 2 2 295.387 -0.039 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NCC[NH2+]CCCO[C@@H]1CCOC1 ZINC001134397214 814380171 /nfs/dbraw/zinc/38/01/71/814380171.db2.gz LXLGVKZYQQTVTL-CYBMUJFWSA-N 2 2 296.371 -0.146 20 0 CBADLP C[C@@H]([NH2+]CCNC(=O)Cc1c[nH]c[nH+]1)C(=O)NC(C)(C)C ZINC001134400722 814381459 /nfs/dbraw/zinc/38/14/59/814381459.db2.gz PBBUMCMFQCAMBZ-SNVBAGLBSA-N 2 2 295.387 -0.039 20 0 CBADLP COCCOCC[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001134394332 814381490 /nfs/dbraw/zinc/38/14/90/814381490.db2.gz ZXXRPSWNTSCQJI-UHFFFAOYSA-N 2 2 270.333 -0.679 20 0 CBADLP CC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001134407024 814381939 /nfs/dbraw/zinc/38/19/39/814381939.db2.gz MWZOPSJNDVLAQK-SNVBAGLBSA-N 2 2 281.360 -0.427 20 0 CBADLP CC(C)[C@H](C)NC(=O)C[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001134406923 814383703 /nfs/dbraw/zinc/38/37/03/814383703.db2.gz IEBCSTGFFVLTKG-NSHDSACASA-N 2 2 295.387 -0.181 20 0 CBADLP C[C@@H](O)C[NH2+]CCNC(=O)C1([NH+]2CCOCC2)CCCC1 ZINC001134616980 814399133 /nfs/dbraw/zinc/39/91/33/814399133.db2.gz GKBLYLYAAXOGEB-CYBMUJFWSA-N 2 2 299.415 -0.282 20 0 CBADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+]CCOCCO ZINC001135079794 814435053 /nfs/dbraw/zinc/43/50/53/814435053.db2.gz DEFQVAMGUSCGJT-NSHDSACASA-N 2 2 284.360 -0.697 20 0 CBADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[NH2+]CCOCCO ZINC001135079794 814435063 /nfs/dbraw/zinc/43/50/63/814435063.db2.gz DEFQVAMGUSCGJT-NSHDSACASA-N 2 2 284.360 -0.697 20 0 CBADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+]CC(=O)NC1CC1 ZINC001135080219 814435242 /nfs/dbraw/zinc/43/52/42/814435242.db2.gz NBTYAHUWWXIZTB-JTQLQIEISA-N 2 2 293.371 -0.427 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+]CCCO ZINC001135071908 814435291 /nfs/dbraw/zinc/43/52/91/814435291.db2.gz LYJFPESLYZGXTH-SNVBAGLBSA-N 2 2 254.334 -0.324 20 0 CBADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[NH2+]CCCO ZINC001135071908 814435296 /nfs/dbraw/zinc/43/52/96/814435296.db2.gz LYJFPESLYZGXTH-SNVBAGLBSA-N 2 2 254.334 -0.324 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001135080602 814437796 /nfs/dbraw/zinc/43/77/96/814437796.db2.gz XZQIGEGNXRBCBE-NXEZZACHSA-N 2 2 281.360 -0.571 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001135080602 814437812 /nfs/dbraw/zinc/43/78/12/814437812.db2.gz XZQIGEGNXRBCBE-NXEZZACHSA-N 2 2 281.360 -0.571 20 0 CBADLP COCCOCC[NH2+]CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001135080632 814438092 /nfs/dbraw/zinc/43/80/92/814438092.db2.gz YQONSBBNYYIJST-GFCCVEGCSA-N 2 2 298.387 -0.043 20 0 CBADLP COCCOCC[NH2+]CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001135080632 814438100 /nfs/dbraw/zinc/43/81/00/814438100.db2.gz YQONSBBNYYIJST-GFCCVEGCSA-N 2 2 298.387 -0.043 20 0 CBADLP O=C(CC[NH+]1CCOCC1)NCC[NH2+]Cc1cnns1 ZINC001135352858 814467901 /nfs/dbraw/zinc/46/79/01/814467901.db2.gz WJYSVMIGNMCMFT-UHFFFAOYSA-N 2 2 299.400 -0.534 20 0 CBADLP CC1CC[NH+](CC(=O)NCC[NH2+]Cc2nnnn2C)CC1 ZINC001135706756 814513911 /nfs/dbraw/zinc/51/39/11/814513911.db2.gz CPTCOVMPBWUWJI-UHFFFAOYSA-N 2 2 295.391 -0.852 20 0 CBADLP O=C(C[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1)NC1CCCC1 ZINC001135754423 814519538 /nfs/dbraw/zinc/51/95/38/814519538.db2.gz CBLHPJOKAZHDET-UHFFFAOYSA-N 2 2 293.371 -0.283 20 0 CBADLP CC[C@H](C)NC(=O)C[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001135755166 814520433 /nfs/dbraw/zinc/52/04/33/814520433.db2.gz MNCCJRLLADLVDT-JTQLQIEISA-N 2 2 281.360 -0.427 20 0 CBADLP CC(C)COC[C@@H](O)C[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001135766240 814521652 /nfs/dbraw/zinc/52/16/52/814521652.db2.gz NDXAETZEKWPBNW-LBPRGKRZSA-N 2 2 298.387 -0.309 20 0 CBADLP Cn1ccc(C[NH2+]CCNC(=O)Cc2[nH]cc[nH+]2)cc1=O ZINC001135760123 814522236 /nfs/dbraw/zinc/52/22/36/814522236.db2.gz IROOVINYSHFDGX-UHFFFAOYSA-N 2 2 289.339 -0.443 20 0 CBADLP C[C@H](C[C@@H](C)[NH2+]CC(=O)N(C)C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001135798267 814529329 /nfs/dbraw/zinc/52/93/29/814529329.db2.gz DEFUCWGOZMNMAD-GHMZBOCLSA-N 2 2 295.387 -0.087 20 0 CBADLP O=C(N1C[C@@H]2C[C@H]1C[C@H]2F)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160426107 815619353 /nfs/dbraw/zinc/61/93/53/815619353.db2.gz BQHPUSDYBVWLLO-VLLVSFFDSA-N 2 2 253.321 -0.103 20 0 CBADLP CNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001135945066 814539704 /nfs/dbraw/zinc/53/97/04/814539704.db2.gz UTFNHHSOGAURTK-GHMZBOCLSA-N 2 2 295.387 -0.419 20 0 CBADLP C[C@H](C[C@@H](C)[NH2+]CC(N)=O)NC(=O)CCc1c[nH+]cn1C ZINC001136051899 814549664 /nfs/dbraw/zinc/54/96/64/814549664.db2.gz HNCWOAOEVWZZOE-GHMZBOCLSA-N 2 2 295.387 -0.289 20 0 CBADLP CC[C@H]1N(C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])CCC[C@]12CCC(=O)N2 ZINC001159585912 815581512 /nfs/dbraw/zinc/58/15/12/815581512.db2.gz VGJVVWPBZZYQSK-OHTBPHCPSA-N 2 2 294.399 -0.417 20 0 CBADLP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001142904920 814739117 /nfs/dbraw/zinc/73/91/17/814739117.db2.gz PKHAFARRVARINP-LLVKDONJSA-N 2 2 293.371 -0.344 20 0 CBADLP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001142904920 814739120 /nfs/dbraw/zinc/73/91/20/814739120.db2.gz PKHAFARRVARINP-LLVKDONJSA-N 2 2 293.371 -0.344 20 0 CBADLP OC[C@H]1C[NH2+]C[C@@H]1Nc1cccc(N2CCOCC2)[nH+]1 ZINC001159676167 815586185 /nfs/dbraw/zinc/58/61/85/815586185.db2.gz FXOIOZYUAHBCSK-NEPJUHHUSA-N 2 2 278.356 -0.090 20 0 CBADLP CC[N@H+](C)CCC(=O)NCC[NH2+]Cc1nc(COC)no1 ZINC001146719302 814844761 /nfs/dbraw/zinc/84/47/61/814844761.db2.gz PEJBQTICTBMGBR-UHFFFAOYSA-N 2 2 299.375 -0.236 20 0 CBADLP CC[N@@H+](C)CCC(=O)NCC[NH2+]Cc1nc(COC)no1 ZINC001146719302 814844766 /nfs/dbraw/zinc/84/47/66/814844766.db2.gz PEJBQTICTBMGBR-UHFFFAOYSA-N 2 2 299.375 -0.236 20 0 CBADLP CC[N@H+](C)CCC(=O)NCC[NH2+]Cc1nc(N(C)C)no1 ZINC001146719979 814845177 /nfs/dbraw/zinc/84/51/77/814845177.db2.gz ZBLMOJRJSJRTPD-UHFFFAOYSA-N 2 2 298.391 -0.317 20 0 CBADLP CC[N@@H+](C)CCC(=O)NCC[NH2+]Cc1nc(N(C)C)no1 ZINC001146719979 814845182 /nfs/dbraw/zinc/84/51/82/814845182.db2.gz ZBLMOJRJSJRTPD-UHFFFAOYSA-N 2 2 298.391 -0.317 20 0 CBADLP CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001146755251 814847244 /nfs/dbraw/zinc/84/72/44/814847244.db2.gz IIDZJNOIWWYTKH-NEPJUHHUSA-N 2 2 295.387 -0.108 20 0 CBADLP Cc1cnc(C[NH2+]CCNC(=O)COCC[NH+](C)C)o1 ZINC001147841229 814919183 /nfs/dbraw/zinc/91/91/83/814919183.db2.gz ACMBOADNURWFQX-UHFFFAOYSA-N 2 2 284.360 -0.233 20 0 CBADLP CCCCNC(=O)C[NH2+]CCNC(=O)Cc1c[nH+]cn1C ZINC001147871983 814921009 /nfs/dbraw/zinc/92/10/09/814921009.db2.gz VWNAOLXOYPBUPX-UHFFFAOYSA-N 2 2 295.387 -0.415 20 0 CBADLP Cc1cc(C[NH2+]CCNC(=O)Cc2c[nH+]cn2C)nn1C ZINC001147871873 814921040 /nfs/dbraw/zinc/92/10/40/814921040.db2.gz PXGUCPQANQJVHN-UHFFFAOYSA-N 2 2 290.371 -0.089 20 0 CBADLP CN(CC1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001160454695 815623289 /nfs/dbraw/zinc/62/32/89/815623289.db2.gz QLPTYRFYFONPRI-NEPJUHHUSA-N 3 2 254.378 -0.524 20 0 CBADLP C[C@@H]1C(=O)NCCN1C(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001160451355 815623938 /nfs/dbraw/zinc/62/39/38/815623938.db2.gz MSGFKQHXTJOQFA-BXKDBHETSA-N 2 2 276.340 -0.394 20 0 CBADLP Cc1cc(CN(C)C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)n(C)n1 ZINC001160475091 815626760 /nfs/dbraw/zinc/62/67/60/815626760.db2.gz NFEHETBLBKUVDD-WCFLWFBJSA-N 2 2 277.372 -0.363 20 0 CBADLP Cc1cc(CN(C)C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)n(C)n1 ZINC001160474706 815626777 /nfs/dbraw/zinc/62/67/77/815626777.db2.gz KHUIGQKREYHCRK-BZPMIXESSA-N 2 2 277.372 -0.091 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CC(Oc3ccccc3)C2)C1 ZINC001160500224 815629757 /nfs/dbraw/zinc/62/97/57/815629757.db2.gz QKTOLCRPRWSDHK-MFKMUULPSA-N 2 2 261.325 -0.035 20 0 CBADLP CCn1nnc2c1[C@H](C(=O)N1CCC([NH3+])CC1)C[NH2+]C2 ZINC001160504752 815631590 /nfs/dbraw/zinc/63/15/90/815631590.db2.gz PCHHOZWSIUKJQS-SNVBAGLBSA-N 2 2 278.360 -0.566 20 0 CBADLP CC[NH+]1CCC(N(C)C(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)CC1 ZINC001160537597 815633928 /nfs/dbraw/zinc/63/39/28/815633928.db2.gz NHLQVXLNUCJCFM-WFASDCNBSA-N 3 2 280.416 -0.119 20 0 CBADLP CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)CC1 ZINC001160538504 815634702 /nfs/dbraw/zinc/63/47/02/815634702.db2.gz ZJQGMYXTGZFFTI-FPMFFAJLSA-N 3 2 280.416 -0.121 20 0 CBADLP O=C(N1CCCC12COC2)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160541400 815636143 /nfs/dbraw/zinc/63/61/43/815636143.db2.gz BAWKEFWQMPSQBR-MFKMUULPSA-N 2 2 251.330 -0.671 20 0 CBADLP CCOC(=O)[C@@H]1CCCCN1C(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160580845 815640940 /nfs/dbraw/zinc/64/09/40/815640940.db2.gz CVZIRTYDNDZBQH-TYNCELHUSA-N 2 2 295.383 -0.118 20 0 CBADLP CCOC(=O)[C@H]1CN(C(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)CCO1 ZINC001160596092 815643181 /nfs/dbraw/zinc/64/31/81/815643181.db2.gz BCNNSTAAIGLZOV-GHMZBOCLSA-N 2 2 296.327 -0.930 20 0 CBADLP Cc1cc[nH+]c(N2CCN(C(=O)[C@@H]3COC[NH2+]3)CC2)c1 ZINC001160602118 815644303 /nfs/dbraw/zinc/64/43/03/815644303.db2.gz LBVFMPKJAODBFQ-LBPRGKRZSA-N 2 2 276.340 -0.015 20 0 CBADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CCN(CCF)CC1 ZINC001160630029 815646715 /nfs/dbraw/zinc/64/67/15/815646715.db2.gz WTLTYIWUMSQSBJ-SDDRHHMPSA-N 2 2 270.352 -0.950 20 0 CBADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H](n2cncn2)C1 ZINC001160637397 815647486 /nfs/dbraw/zinc/64/74/86/815647486.db2.gz MYONOIAPNYDVFO-NWDGAFQWSA-N 2 2 289.343 -0.265 20 0 CBADLP CO[C@@H]1CCCN(C(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)C1 ZINC001160648048 815652217 /nfs/dbraw/zinc/65/22/17/815652217.db2.gz ZYHOFDDOYLYHGH-NEPJUHHUSA-N 2 2 266.345 -0.073 20 0 CBADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC001160647466 815652252 /nfs/dbraw/zinc/65/22/52/815652252.db2.gz KNCFCMWGRNUKBS-AEJSXWLSSA-N 3 2 255.297 -0.823 20 0 CBADLP C[C@@H]1C[C@H](O)CCN1C(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160655817 815652813 /nfs/dbraw/zinc/65/28/13/815652813.db2.gz PKFHWIXHESEUBA-PRULPYPASA-N 2 2 253.346 -0.690 20 0 CBADLP C[C@@H]1C[C@H](O)CCN1C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001160655918 815653386 /nfs/dbraw/zinc/65/33/86/815653386.db2.gz RPHUCRJFCDZXDZ-IEBDPFPHSA-N 2 2 252.318 -0.349 20 0 CBADLP O=C(N1CCC(=O)C(F)(F)C1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160663403 815654602 /nfs/dbraw/zinc/65/46/02/815654602.db2.gz GPLUIWPUMUZQSO-KWQFWETISA-N 2 2 273.283 -0.625 20 0 CBADLP COC(CN(C)C(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1)OC ZINC001160684677 815656843 /nfs/dbraw/zinc/65/68/43/815656843.db2.gz YPHWVRIVJXCGHO-SECBINFHSA-N 2 2 256.306 -0.643 20 0 CBADLP CN(C[C@H]1CCC[NH2+]C1)C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001160695105 815658331 /nfs/dbraw/zinc/65/83/31/815658331.db2.gz ILVLCHRSSJSJTF-SFTQSGBHSA-N 3 2 266.389 -0.334 20 0 CBADLP COC(=O)[C@@H]([NH3+])CC(=O)N(C)C[C@H]1CCC[NH2+]C1 ZINC001160695732 815658353 /nfs/dbraw/zinc/65/83/53/815658353.db2.gz POCMJLFRZSPGQR-UWVGGRQHSA-N 2 2 257.334 -0.665 20 0 CBADLP N[C@]1(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC[NH2+]C1 ZINC001160694179 815658629 /nfs/dbraw/zinc/65/86/29/815658629.db2.gz RWZIUMQRJMZCNP-ZWNOBZJWSA-N 2 2 263.345 -0.194 20 0 CBADLP O=C([C@@H]1C[NH2+]C[C@@H]1O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001160692824 815658708 /nfs/dbraw/zinc/65/87/08/815658708.db2.gz FDSWXGHKJSDKKH-AXFHLTTASA-N 2 2 264.329 -0.304 20 0 CBADLP N[C@]1(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CC[NH2+]C1 ZINC001160694177 815658953 /nfs/dbraw/zinc/65/89/53/815658953.db2.gz RWZIUMQRJMZCNP-GXFFZTMASA-N 2 2 263.345 -0.194 20 0 CBADLP COC(=O)[C@H](Cc1c[nH+]cn1C)Nc1cc(C[NH3+])ncn1 ZINC001160692025 815659065 /nfs/dbraw/zinc/65/90/65/815659065.db2.gz AQHCAZKROPMHBZ-NSHDSACASA-N 2 2 290.327 -0.135 20 0 CBADLP CCN(CCn1cccn1)C(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160694409 815659181 /nfs/dbraw/zinc/65/91/81/815659181.db2.gz VBCWKDZCSOBCID-TZMCWYRMSA-N 2 2 277.372 -0.317 20 0 CBADLP CN(C[C@@H]1CCC[NH2+]C1)C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001160694749 815659222 /nfs/dbraw/zinc/65/92/22/815659222.db2.gz DOAJBJCSLKLNNM-PWSUYJOCSA-N 3 2 265.361 -0.263 20 0 CBADLP COC(=O)[C@H](C)N(C)C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001160718668 815663197 /nfs/dbraw/zinc/66/31/97/815663197.db2.gz QAOXLSWKMVSHTJ-WPRPVWTQSA-N 2 2 268.317 -0.690 20 0 CBADLP O=C(N1CCC(n2cnnc2)CC1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160718329 815664016 /nfs/dbraw/zinc/66/40/16/815664016.db2.gz FPLXUXNKVJVTMT-RISCZKNCSA-N 2 2 290.371 -0.607 20 0 CBADLP O=C([C@H]1[NH2+]CC[C@@H]1O)N1CCC(n2cc[nH+]c2)CC1 ZINC001160727038 815665667 /nfs/dbraw/zinc/66/56/67/815665667.db2.gz YCFZDBAHAROVMO-RYUDHWBXSA-N 2 2 264.329 -0.231 20 0 CBADLP O=C([C@H]1C[NH2+]C[C@@H]1O)N1CCC(n2cc[nH+]c2)CC1 ZINC001160726226 815665742 /nfs/dbraw/zinc/66/57/42/815665742.db2.gz MKEQSBPSLGOEGF-RYUDHWBXSA-N 2 2 264.329 -0.373 20 0 CBADLP O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CCC(n2cc[nH+]c2)CC1 ZINC001160727103 815665840 /nfs/dbraw/zinc/66/58/40/815665840.db2.gz ZNBHDCSAFYNCJJ-VXGBXAGGSA-N 2 2 264.329 -0.231 20 0 CBADLP C[C@@H]1CO[C@@H]2CN(C(=O)[C@@]34C[NH2+]C[C@@H]3CC[NH2+]4)C[C@H]12 ZINC001160756650 815667456 /nfs/dbraw/zinc/66/74/56/815667456.db2.gz TZZQPUBLPJQBQX-CYRBOEJBSA-N 2 2 265.357 -0.569 20 0 CBADLP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CCc2[nH+]ccn2CC1 ZINC001160761187 815668537 /nfs/dbraw/zinc/66/85/37/815668537.db2.gz WYRYAZTXHRTBKM-JTQLQIEISA-N 3 2 283.401 -0.713 20 0 CBADLP [NH3+][C@H](C(=O)N1CCc2[nH+]ccn2CC1)C1CC[NH2+]CC1 ZINC001160760203 815668587 /nfs/dbraw/zinc/66/85/87/815668587.db2.gz HGFAKTIFIMEGPR-ZDUSSCGKSA-N 3 2 277.372 -0.405 20 0 CBADLP CCOC(=O)[C@]12CN(C(=O)C3(F)C[NH2+]C3)C[C@H]1C[NH2+]CC2 ZINC001160811128 815673035 /nfs/dbraw/zinc/67/30/35/815673035.db2.gz JUCWXVRVIOAWIV-ZWNOBZJWSA-N 2 2 299.346 -0.701 20 0 CBADLP COc1cc[nH+]cc1CC(=O)NCCC[NH2+][C@@H](C)C(N)=O ZINC001160838172 815676128 /nfs/dbraw/zinc/67/61/28/815676128.db2.gz HKFKMTKWTQKEBY-JTQLQIEISA-N 2 2 294.355 -0.398 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCC(Oc3cnccn3)CC2)C1 ZINC001160890781 815685889 /nfs/dbraw/zinc/68/58/89/815685889.db2.gz RCIMKUYTKMXCRG-PWSUYJOCSA-N 2 2 291.355 -0.464 20 0 CBADLP CC(C)(C)C(=O)N1CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])CC1 ZINC001160947630 815690131 /nfs/dbraw/zinc/69/01/31/815690131.db2.gz IFISBMBYWLMTCY-QWRGUYRKSA-N 2 2 282.388 -0.750 20 0 CBADLP C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)[C@@]13C[NH2+]C[C@@H]1CC[NH2+]3)C2 ZINC001160962277 815691802 /nfs/dbraw/zinc/69/18/02/815691802.db2.gz BTYVRVMXYKYAFR-CTHBEMJXSA-N 3 2 278.400 -0.652 20 0 CBADLP C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)[C@@]13C[NH2+]C[C@H]1CC[NH2+]3)C2 ZINC001160962283 815691917 /nfs/dbraw/zinc/69/19/17/815691917.db2.gz BTYVRVMXYKYAFR-QHSBEEBCSA-N 3 2 278.400 -0.652 20 0 CBADLP [NH3+][C@H]1CN(C(=O)C2([NH3+])CC[NH2+]CC2)CC(F)(F)C1 ZINC001160971335 815693353 /nfs/dbraw/zinc/69/33/53/815693353.db2.gz FUAUIUXIVPPNGZ-MRVPVSSYSA-N 3 2 262.304 -0.738 20 0 CBADLP CC(C)OC1CN(C(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)C1 ZINC001161010477 815694316 /nfs/dbraw/zinc/69/43/16/815694316.db2.gz RFVGOBBKDNWOGU-ZWNOBZJWSA-N 2 2 253.346 -0.426 20 0 CBADLP NC(=S)C1CCN(C(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)CC1 ZINC001161031214 815699311 /nfs/dbraw/zinc/69/93/11/815699311.db2.gz WTJFPBYKTUWYFR-SNVBAGLBSA-N 2 2 281.385 -0.196 20 0 CBADLP NC(=S)C1CCN(C(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)CC1 ZINC001161031245 815700239 /nfs/dbraw/zinc/70/02/39/815700239.db2.gz XSVYFGCULOKSSZ-ZWNOBZJWSA-N 2 2 282.413 -0.537 20 0 CBADLP CC(=O)[C@@H]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)C1 ZINC001161034518 815701133 /nfs/dbraw/zinc/70/11/33/815701133.db2.gz KZAGWALJRCLOOU-WZRBSPASSA-N 2 2 251.330 -0.625 20 0 CBADLP CC(C)[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)C1 ZINC001161050138 815702683 /nfs/dbraw/zinc/70/26/83/815702683.db2.gz LVFRXIBHBZTVHL-RFQIPJPRSA-N 3 2 280.416 -0.123 20 0 CBADLP CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)C1 ZINC001161050138 815702695 /nfs/dbraw/zinc/70/26/95/815702695.db2.gz LVFRXIBHBZTVHL-RFQIPJPRSA-N 3 2 280.416 -0.123 20 0 CBADLP CN(C(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001161058222 815705935 /nfs/dbraw/zinc/70/59/35/815705935.db2.gz PXKDENBZIJLPCF-FMSGJZPZSA-N 3 2 266.389 -0.334 20 0 CBADLP CN(C(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2)C1(C)CC[NH2+]CC1 ZINC001161067749 815706865 /nfs/dbraw/zinc/70/68/65/815706865.db2.gz KXFYDMZYVBJAAN-SMDDNHRTSA-N 3 2 266.389 -0.462 20 0 CBADLP CN(C(=O)C1([NH3+])CC[NH2+]CC1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001161064956 815707839 /nfs/dbraw/zinc/70/78/39/815707839.db2.gz UGRAJCKQLWISQT-GHMZBOCLSA-N 3 2 254.378 -0.204 20 0 CBADLP CCN(C)c1cc[nH+]c(NCCN(CC[NH3+])N(O)N=O)n1 ZINC001161087267 815713002 /nfs/dbraw/zinc/71/30/02/815713002.db2.gz KFDFTLVPSTVBJX-UHFFFAOYSA-N 2 2 298.351 -0.107 20 0 CBADLP CC(=O)N1CCC[C@H](N(C)C(=O)C2([NH3+])CC[NH2+]CC2)C1 ZINC001161130427 815717202 /nfs/dbraw/zinc/71/72/02/815717202.db2.gz KWOXQKLWADPHIL-LBPRGKRZSA-N 2 2 282.388 -0.463 20 0 CBADLP CCN(CCC(=O)OC)C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001161129534 815717294 /nfs/dbraw/zinc/71/72/94/815717294.db2.gz CQMLAUPMBSKUKW-GARJFASQSA-N 2 2 269.345 -0.652 20 0 CBADLP COC(=O)[C@@H]1CCCN(C(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)[C@@H]1C ZINC001161117984 815717602 /nfs/dbraw/zinc/71/76/02/815717602.db2.gz YPECGWUADYCBHH-RTWAVKEYSA-N 2 2 295.383 -0.262 20 0 CBADLP CNC(=O)C[NH+]1CCC(Nc2ncnc3c2C[NH2+]C3)CC1 ZINC001161135169 815718878 /nfs/dbraw/zinc/71/88/78/815718878.db2.gz ADGHKRXMMIIDOX-UHFFFAOYSA-N 2 2 290.371 -0.298 20 0 CBADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)[C@@H]2C[C@@H](F)CC[NH2+]2)C1 ZINC001161136929 815718922 /nfs/dbraw/zinc/71/89/22/815718922.db2.gz AHBQLPCAAJRQJC-HOTUBEGUSA-N 2 2 273.308 -0.821 20 0 CBADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@H]2C[C@H](C)CC[NH2+]2)C1 ZINC001161138789 815719875 /nfs/dbraw/zinc/71/98/75/815719875.db2.gz ZERWKJWRIAZNET-BREBYQMCSA-N 2 2 269.345 -0.523 20 0 CBADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)[C@]2(C)CC[NH2+]C2)C1 ZINC001161139204 815720559 /nfs/dbraw/zinc/72/05/59/815720559.db2.gz NCFYURPWIDAKTR-VXGBXAGGSA-N 2 2 255.318 -0.911 20 0 CBADLP CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]4C[NH2+]C[C@H]4[NH2+]3)C[C@H]2C1 ZINC001161175303 815724513 /nfs/dbraw/zinc/72/45/13/815724513.db2.gz KQRLZLCSCIWZRL-VYDRJRHOSA-N 3 2 292.427 -0.264 20 0 CBADLP CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)C[C@H]2C1 ZINC001161174781 815724771 /nfs/dbraw/zinc/72/47/71/815724771.db2.gz FKXZIMCNOBLJDG-XQHKEYJVSA-N 3 2 266.389 -0.524 20 0 CBADLP CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)C[C@H]2C1 ZINC001161174781 815724777 /nfs/dbraw/zinc/72/47/77/815724777.db2.gz FKXZIMCNOBLJDG-XQHKEYJVSA-N 3 2 266.389 -0.524 20 0 CBADLP CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)C[C@H]2C1 ZINC001161174777 815725258 /nfs/dbraw/zinc/72/52/58/815725258.db2.gz FKXZIMCNOBLJDG-LPWJVIDDSA-N 3 2 266.389 -0.524 20 0 CBADLP CN(C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)[C@@H]1CCC2(C1)OCCO2 ZINC001161220464 815728625 /nfs/dbraw/zinc/72/86/25/815728625.db2.gz YSDRLYCDSJRKFT-MXWKQRLJSA-N 2 2 269.345 -0.570 20 0 CBADLP C[C@@H](O)C[NH2+]CCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001161215193 815728659 /nfs/dbraw/zinc/72/86/59/815728659.db2.gz MWGKFOWRURJKIZ-NEPJUHHUSA-N 2 2 280.372 -0.078 20 0 CBADLP C[C@@H]([NH2+]CCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1)C(N)=O ZINC001161215390 815728688 /nfs/dbraw/zinc/72/86/88/815728688.db2.gz SDKZIQVUGPTBOZ-GHMZBOCLSA-N 2 2 293.371 -0.585 20 0 CBADLP CN(C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)[C@H]1CCC2(C1)OCCO2 ZINC001161220465 815728699 /nfs/dbraw/zinc/72/86/99/815728699.db2.gz YSDRLYCDSJRKFT-VWYCJHECSA-N 2 2 269.345 -0.570 20 0 CBADLP CN(C(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2)[C@H]1CCC2(C1)OCCO2 ZINC001161218651 815728947 /nfs/dbraw/zinc/72/89/47/815728947.db2.gz KCMMJOGABYNQSH-HUBLWGQQSA-N 2 2 295.383 -0.308 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCC[C@@H](n3ccnn3)C2)C1 ZINC001161234594 815730028 /nfs/dbraw/zinc/73/00/28/815730028.db2.gz DSBUHQJQRRCSNL-MXWKQRLJSA-N 2 2 264.333 -0.869 20 0 CBADLP C[C@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)C[C@H](C)[NH2+]1 ZINC001161229785 815730230 /nfs/dbraw/zinc/73/02/30/815730230.db2.gz VYBVRNAKEYJORO-KQXIARHKSA-N 3 2 252.362 -0.853 20 0 CBADLP [NH3+]C1(C(=O)N2CCC[C@H](n3ccnn3)C2)CC[NH2+]CC1 ZINC001161235439 815731914 /nfs/dbraw/zinc/73/19/14/815731914.db2.gz QZMCPMCEBMKXOI-NSHDSACASA-N 2 2 278.360 -0.478 20 0 CBADLP COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CC[NH2+]C[C@@H]1F ZINC001161238413 815732508 /nfs/dbraw/zinc/73/25/08/815732508.db2.gz SYZIZWXOEGGMIR-VWYCJHECSA-N 2 2 287.335 -0.750 20 0 CBADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CC[NH2+]C[C@@H]1F ZINC001161238413 815732513 /nfs/dbraw/zinc/73/25/13/815732513.db2.gz SYZIZWXOEGGMIR-VWYCJHECSA-N 2 2 287.335 -0.750 20 0 CBADLP [NH3+]C1(C(=O)N2CCC[C@@H](n3ccnn3)C2)CC[NH2+]CC1 ZINC001161235438 815732580 /nfs/dbraw/zinc/73/25/80/815732580.db2.gz QZMCPMCEBMKXOI-LLVKDONJSA-N 2 2 278.360 -0.478 20 0 CBADLP COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]([NH3+])CC1CCC1 ZINC001161238418 815732833 /nfs/dbraw/zinc/73/28/33/815732833.db2.gz TVRDEGILQZNACO-RYUDHWBXSA-N 2 2 283.372 -0.181 20 0 CBADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]([NH3+])CC1CCC1 ZINC001161238418 815732839 /nfs/dbraw/zinc/73/28/39/815732839.db2.gz TVRDEGILQZNACO-RYUDHWBXSA-N 2 2 283.372 -0.181 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CCCN(c2cccnc2)CC1 ZINC001161239914 815733557 /nfs/dbraw/zinc/73/35/57/815733557.db2.gz URARHJKPRWRUOD-KBPBESRZSA-N 2 2 289.383 -0.333 20 0 CBADLP COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)C1CC[NH2+]CC1 ZINC001161239401 815734144 /nfs/dbraw/zinc/73/41/44/815734144.db2.gz ZTOWXSSZUGPNHS-NSHDSACASA-N 2 2 269.345 -0.698 20 0 CBADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)C1CC[NH2+]CC1 ZINC001161239401 815734152 /nfs/dbraw/zinc/73/41/52/815734152.db2.gz ZTOWXSSZUGPNHS-NSHDSACASA-N 2 2 269.345 -0.698 20 0 CBADLP CC(=O)N[C@@H]1CCCN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)C1 ZINC001161269707 815735268 /nfs/dbraw/zinc/73/52/68/815735268.db2.gz DVDYFRWPPKRTBM-BYNQJWBRSA-N 2 2 280.372 -0.665 20 0 CBADLP CNC(=O)NC1CCN(C(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)CC1 ZINC001161268100 815735443 /nfs/dbraw/zinc/73/54/43/815735443.db2.gz CWABWEOGBNMFBY-LLVKDONJSA-N 2 2 294.359 -0.801 20 0 CBADLP CC(=O)N[C@@H]1CCCN(C(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)C1 ZINC001161271263 815737266 /nfs/dbraw/zinc/73/72/66/815737266.db2.gz ZTPZBCJGXDNJAQ-ZYHUDNBSSA-N 2 2 279.344 -0.593 20 0 CBADLP C[C@H]([NH2+]CCCNC(=O)[C@H]1CCc2[nH+]ccn2C1)C(N)=O ZINC001161301683 815738644 /nfs/dbraw/zinc/73/86/44/815738644.db2.gz WHVIXEUOHRULKR-QWRGUYRKSA-N 2 2 293.371 -0.585 20 0 CBADLP C[C@@H]([NH2+]CCCNC(=O)[C@H]1CCn2cc[nH+]c2C1)C(N)=O ZINC001161310633 815739692 /nfs/dbraw/zinc/73/96/92/815739692.db2.gz WWRFYPOMWPVBPN-MNOVXSKESA-N 2 2 293.371 -0.585 20 0 CBADLP O=C(NCCC[NH2+]CCO)[C@H]1CCc2[nH+]ccn2C1 ZINC001161315625 815739872 /nfs/dbraw/zinc/73/98/72/815739872.db2.gz QXNHQEZVGQFTGB-NSHDSACASA-N 2 2 266.345 -0.466 20 0 CBADLP O=C(NCCC[NH2+]CCO)[C@@H]1CCc2c[nH+]cn2C1 ZINC001161323534 815740228 /nfs/dbraw/zinc/74/02/28/815740228.db2.gz MZIXFIPKNGUTMR-LLVKDONJSA-N 2 2 266.345 -0.466 20 0 CBADLP CNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001161308930 815740233 /nfs/dbraw/zinc/74/02/33/815740233.db2.gz HJCQBUSDJHCMJL-NSHDSACASA-N 2 2 293.371 -0.713 20 0 CBADLP CC(C)N(C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C)[C@H]1CC[NH2+]C1 ZINC001161352110 815746372 /nfs/dbraw/zinc/74/63/72/815746372.db2.gz RBQAUNRVEMNFFD-AAEUAGOBSA-N 3 2 279.388 -0.111 20 0 CBADLP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@]34C[NH2+]C[C@@H]3CC[NH2+]4)C[C@@H]12 ZINC001161413350 815751476 /nfs/dbraw/zinc/75/14/76/815751476.db2.gz PJCPUGJKSURKSW-OJROKELRSA-N 3 2 264.373 -0.866 20 0 CBADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001161412040 815751604 /nfs/dbraw/zinc/75/16/04/815751604.db2.gz FKLXWOSKLZKZHL-GMNPVEAJSA-N 3 2 263.345 -0.525 20 0 CBADLP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@]34CC[C@@H]([NH2+]3)[C@H]([NH3+])C4)C[C@H]12 ZINC001161412425 815751782 /nfs/dbraw/zinc/75/17/82/815751782.db2.gz KGSFZIPCGGQUNC-AIUQGNKQSA-N 3 2 264.373 -0.596 20 0 CBADLP C[NH+](C)CCN(C(=O)C1([NH3+])CC[NH2+]CC1)[C@H]1CCC[NH2+]C1 ZINC001161444466 815755780 /nfs/dbraw/zinc/75/57/80/815755780.db2.gz IJPFEZRTMPQHMO-ZDUSSCGKSA-N 4 2 297.447 -0.791 20 0 CBADLP C[C@]1(C[NH3+])CCCN(C(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)C1 ZINC001161489969 815761222 /nfs/dbraw/zinc/76/12/22/815761222.db2.gz SMZYQDBMRHYWFT-DGCLKSJQSA-N 3 2 265.361 -0.133 20 0 CBADLP CCOC(=O)C[C@@H]1CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])C[C@H]1C ZINC001161501198 815765158 /nfs/dbraw/zinc/76/51/58/815765158.db2.gz YOTXVXORWMJLMV-VOAKCMCISA-N 2 2 297.399 -0.029 20 0 CBADLP COCCOC1CN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)C1 ZINC001161572182 815773510 /nfs/dbraw/zinc/77/35/10/815773510.db2.gz FGIQWQONWGASEX-WZRBSPASSA-N 2 2 269.345 -0.918 20 0 CBADLP CCOC(=O)[C@H]([NH3+])CNc1ncnc2c1CC[NH2+]C2 ZINC001161945501 815795233 /nfs/dbraw/zinc/79/52/33/815795233.db2.gz KPPMDNRMFPJTLD-SECBINFHSA-N 2 2 265.317 -0.575 20 0 CBADLP C[C@H]([NH2+]CCCNC(=O)c1cccc2[nH+]ccn21)C(N)=O ZINC001162427148 815816256 /nfs/dbraw/zinc/81/62/56/815816256.db2.gz BKUVRYDMRGEKQQ-JTQLQIEISA-N 2 2 289.339 -0.082 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NCCC[NH2+]Cc1nnc(C)[nH]1 ZINC001162605373 815836346 /nfs/dbraw/zinc/83/63/46/815836346.db2.gz ALBNJNNAWHBELK-UHFFFAOYSA-N 2 2 291.359 -0.086 20 0 CBADLP C[N@@H+]1CCO[C@H](CNc2ncc3c(n2)C[NH2+]CC3)C1 ZINC001162680570 815839236 /nfs/dbraw/zinc/83/92/36/815839236.db2.gz LYXNEWMJVCMUDE-LLVKDONJSA-N 2 2 263.345 -0.135 20 0 CBADLP C[N@H+]1CCO[C@H](CNc2ncc3c(n2)C[NH2+]CC3)C1 ZINC001162680570 815839244 /nfs/dbraw/zinc/83/92/44/815839244.db2.gz LYXNEWMJVCMUDE-LLVKDONJSA-N 2 2 263.345 -0.135 20 0 CBADLP COc1c(NC[C@@H]2C[N@H+](C)CCO2)ncnc1C1C[NH2+]C1 ZINC001162683861 815839390 /nfs/dbraw/zinc/83/93/90/815839390.db2.gz NUHUXOYPUQTECL-LLVKDONJSA-N 2 2 293.371 -0.086 20 0 CBADLP COc1c(NC[C@@H]2C[N@@H+](C)CCO2)ncnc1C1C[NH2+]C1 ZINC001162683861 815839398 /nfs/dbraw/zinc/83/93/98/815839398.db2.gz NUHUXOYPUQTECL-LLVKDONJSA-N 2 2 293.371 -0.086 20 0 CBADLP CN(C)C(=O)C[NH2+]CCCNC(=O)CCc1[nH+]ccn1C ZINC001163044359 815855537 /nfs/dbraw/zinc/85/55/37/815855537.db2.gz WRMLDMFZBFEEIY-UHFFFAOYSA-N 2 2 295.387 -0.463 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CCc1[nH+]ccn1C ZINC001163044304 815855807 /nfs/dbraw/zinc/85/58/07/815855807.db2.gz UBDKWMXCSXSPDI-LLVKDONJSA-N 2 2 295.387 -0.417 20 0 CBADLP Nc1cn2ccc(N[C@@]34CC[NH2+][C@H]3CC(=O)N4)cc2[nH+]1 ZINC001163252001 815874155 /nfs/dbraw/zinc/87/41/55/815874155.db2.gz SOBJEOMZZVINPA-TVQRCGJNSA-N 2 2 272.312 -0.094 20 0 CBADLP O=C(CCn1cc[nH+]c1)NCCC[NH2+]CCCO ZINC001163593609 815890821 /nfs/dbraw/zinc/89/08/21/815890821.db2.gz NGZZPIZTEHDKOQ-UHFFFAOYSA-N 2 2 254.334 -0.249 20 0 CBADLP C[NH+](C)C1(C(=O)NCCNC(=O)Cc2[nH]cc[nH+]2)CCC1 ZINC001292866453 816488402 /nfs/dbraw/zinc/48/84/02/816488402.db2.gz MHVFYOMKAOMIKW-UHFFFAOYSA-N 2 2 293.371 -0.331 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@H]1C[C@@H]([NH2+]CCCO)C1 ZINC001316624591 816872429 /nfs/dbraw/zinc/87/24/29/816872429.db2.gz LRHZOXMINAEUJZ-TXEJJXNPSA-N 2 2 266.345 -0.250 20 0 CBADLP CC[N@H+](CCCNC(=O)Cn1cc[nH+]c1)CC(=O)N(C)C ZINC001316912027 816902599 /nfs/dbraw/zinc/90/25/99/816902599.db2.gz YZGQBMIFXSEQIW-UHFFFAOYSA-N 2 2 295.387 -0.201 20 0 CBADLP CC[N@@H+](CCCNC(=O)Cn1cc[nH+]c1)CC(=O)N(C)C ZINC001316912027 816902605 /nfs/dbraw/zinc/90/26/05/816902605.db2.gz YZGQBMIFXSEQIW-UHFFFAOYSA-N 2 2 295.387 -0.201 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)N[C@H]1C[C@H]([NH2+]CCCO)C1 ZINC001317091883 816930944 /nfs/dbraw/zinc/93/09/44/816930944.db2.gz MMNJOMKWGVTBDA-HAQNSBGRSA-N 2 2 280.372 -0.028 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)[NH2+]CCCO ZINC001317257144 816951670 /nfs/dbraw/zinc/95/16/70/816951670.db2.gz SGXPAVNHODBWCZ-RYUDHWBXSA-N 2 2 280.372 -0.078 20 0 CBADLP COCC[NH2+][C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001317282088 816957667 /nfs/dbraw/zinc/95/76/67/816957667.db2.gz GULQJMUURVPZFD-SNVBAGLBSA-N 2 2 254.334 -0.297 20 0 CBADLP Cc1cc(C[NH2+]CCN(C)C(=O)[C@@H]2C[N@H+](C)CCO2)on1 ZINC001317578107 817018916 /nfs/dbraw/zinc/01/89/16/817018916.db2.gz FXGOQRRZPBNYOJ-ZDUSSCGKSA-N 2 2 296.371 -0.138 20 0 CBADLP Cc1cc(C[NH2+]CCN(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)on1 ZINC001317578107 817018923 /nfs/dbraw/zinc/01/89/23/817018923.db2.gz FXGOQRRZPBNYOJ-ZDUSSCGKSA-N 2 2 296.371 -0.138 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)C[NH2+]CCO ZINC001319271806 817183691 /nfs/dbraw/zinc/18/36/91/817183691.db2.gz MPZJZODCEHPQCW-VIFPVBQESA-N 2 2 254.334 -0.405 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)C[NH2+]C[C@H](C)O ZINC001319272130 817184678 /nfs/dbraw/zinc/18/46/78/817184678.db2.gz QFRCUSKPNPUERM-UWVGGRQHSA-N 2 2 268.361 -0.017 20 0 CBADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+][C@@H](C)C(N)=O ZINC001319291792 817186262 /nfs/dbraw/zinc/18/62/62/817186262.db2.gz SULASSBPOZDMGO-ZJUUUORDSA-N 2 2 267.333 -0.901 20 0 CBADLP C[C@@H]([NH2+]C[C@@H](C)CNC(=O)Cn1cc[nH+]c1)C(N)=O ZINC001319291776 817186471 /nfs/dbraw/zinc/18/64/71/817186471.db2.gz SULASSBPOZDMGO-NXEZZACHSA-N 2 2 267.333 -0.901 20 0 CBADLP Cc1[nH+]ccn1CCC[NH+]1CCN(CC(N)=O)CC1 ZINC001319717098 817235605 /nfs/dbraw/zinc/23/56/05/817235605.db2.gz KTHCCUKBFSNKAM-UHFFFAOYSA-N 2 2 265.361 -0.315 20 0 CBADLP O=C(NC[C@@H](O)C[NH2+]CCCF)[C@H]1CCn2c[nH+]cc2C1 ZINC001320243481 817303233 /nfs/dbraw/zinc/30/32/33/817303233.db2.gz TWSOGEXCRCNFSP-AAEUAGOBSA-N 2 2 298.362 -0.128 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@H](O)C[NH2+]CC1CC1 ZINC001320283845 817312643 /nfs/dbraw/zinc/31/26/43/817312643.db2.gz ZGPRXWBEVHCZDA-NSHDSACASA-N 2 2 252.318 -0.571 20 0 CBADLP CC[N@H+](CCO)CCNC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001320327338 817322566 /nfs/dbraw/zinc/32/25/66/817322566.db2.gz GDNJDJYCTDIJNJ-LLVKDONJSA-N 2 2 254.334 -0.126 20 0 CBADLP CC[N@@H+](CCO)CCNC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001320327338 817322568 /nfs/dbraw/zinc/32/25/68/817322568.db2.gz GDNJDJYCTDIJNJ-LLVKDONJSA-N 2 2 254.334 -0.126 20 0 CBADLP Cc1[nH+]ccn1CC[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC001320402523 817332764 /nfs/dbraw/zinc/33/27/64/817332764.db2.gz DUDZKDPMOQZOJD-UHFFFAOYSA-N 2 2 277.328 -0.134 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C)CC[NH2+]CC(N)=O ZINC001320575009 817356668 /nfs/dbraw/zinc/35/66/68/817356668.db2.gz YXJUOGKUUDVCRB-ZJUUUORDSA-N 2 2 281.360 -0.442 20 0 CBADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C)CC[NH2+]CC(N)=O ZINC001320575009 817356675 /nfs/dbraw/zinc/35/66/75/817356675.db2.gz YXJUOGKUUDVCRB-ZJUUUORDSA-N 2 2 281.360 -0.442 20 0 CBADLP CN(C)C(=O)C[NH2+]C/C=C/CNC(=O)CCn1cc[nH+]c1 ZINC001321177670 817454470 /nfs/dbraw/zinc/45/44/70/817454470.db2.gz IPZVJNNQPYXDQU-ONEGZZNKSA-N 2 2 293.371 -0.377 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC/C=C/C[NH2+]CC(N)=O ZINC001321353349 817486985 /nfs/dbraw/zinc/48/69/85/817486985.db2.gz QFPMPTYMTMFPHY-NSCUHMNNSA-N 2 2 265.317 -0.992 20 0 CBADLP COC(=O)[C@@H]1C[C@H](Nc2nccc(C3C[NH2+]C3)n2)C[NH2+]1 ZINC001164304678 819907269 /nfs/dbraw/zinc/90/72/69/819907269.db2.gz CIKISPUGCCRZJV-ONGXEEELSA-N 2 2 277.328 -0.521 20 0 CBADLP Cn1nnc(C[NH2+]CCCNC(=O)C2(C[NH+](C)C)CC2)n1 ZINC001165252818 819944611 /nfs/dbraw/zinc/94/46/11/819944611.db2.gz AOSCSDMHUDINND-UHFFFAOYSA-N 2 2 295.391 -0.852 20 0 CBADLP c1cc(N2CCOCC23C[NH2+]C3)nc(N2CCOCC2)[nH+]1 ZINC001165288808 819949425 /nfs/dbraw/zinc/94/94/25/819949425.db2.gz QUXYXKJDTAZHKT-UHFFFAOYSA-N 2 2 291.355 -0.508 20 0 CBADLP CCc1nc(N2CCNC(=O)C23C[NH2+]C3)cc(C)[nH+]1 ZINC001165301811 819954049 /nfs/dbraw/zinc/95/40/49/819954049.db2.gz CMAAMBPFKYJOBR-UHFFFAOYSA-N 2 2 261.329 -0.374 20 0 CBADLP CCc1cc(N2CCNC(=O)C23C[NH2+]C3)nc(C)[nH+]1 ZINC001165301932 819954907 /nfs/dbraw/zinc/95/49/07/819954907.db2.gz FNMUIUQAKNGNEB-UHFFFAOYSA-N 2 2 261.329 -0.374 20 0 CBADLP Cc1[nH+]c2c(n1-c1cncc(C(N)=O)n1)CC[NH2+]CC2 ZINC001165352861 819957099 /nfs/dbraw/zinc/95/70/99/819957099.db2.gz GDJRFRGVIUKKCR-UHFFFAOYSA-N 2 2 272.312 -0.242 20 0 CBADLP Nc1cc(N2CCCO[C@@]3(C[NH2+]CCOC3)C2)[nH+]cn1 ZINC001165344987 819957476 /nfs/dbraw/zinc/95/74/76/819957476.db2.gz HBDCBMFHHUDLAS-ZDUSSCGKSA-N 2 2 279.344 -0.356 20 0 CBADLP NC(=O)N1CCN(c2ccc(N3CC[NH2+]CC3)c[nH+]2)CC1 ZINC001166572907 820006711 /nfs/dbraw/zinc/00/67/11/820006711.db2.gz LYEVSOFULXQABQ-UHFFFAOYSA-N 2 2 290.371 -0.308 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCC[NH2+]Cc1nnn(C)n1 ZINC001166709203 820019591 /nfs/dbraw/zinc/01/95/91/820019591.db2.gz YIMMVJKSEXULQU-GHMZBOCLSA-N 2 2 295.391 -0.996 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCC[NH2+]Cc1nnn(C)n1 ZINC001166709203 820019599 /nfs/dbraw/zinc/01/95/99/820019599.db2.gz YIMMVJKSEXULQU-GHMZBOCLSA-N 2 2 295.391 -0.996 20 0 CBADLP CN(c1cc(N2CCC[C@H]2C(N)=O)[nH+]cn1)C1C[NH2+]C1 ZINC001166983349 820060626 /nfs/dbraw/zinc/06/06/26/820060626.db2.gz VEADHGAVRNAPEV-JTQLQIEISA-N 2 2 276.344 -0.661 20 0 CBADLP CCNC(=O)C[NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001167355717 820085665 /nfs/dbraw/zinc/08/56/65/820085665.db2.gz XBWAECUMOPSQSU-UHFFFAOYSA-N 2 2 267.333 -0.816 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCC[NH2+]CCOCCO ZINC001167976360 820136462 /nfs/dbraw/zinc/13/64/62/820136462.db2.gz BHRNHKDVSVJPIV-GFCCVEGCSA-N 2 2 298.387 -0.307 20 0 CBADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCC[NH2+]CCOCCO ZINC001167976360 820136468 /nfs/dbraw/zinc/13/64/68/820136468.db2.gz BHRNHKDVSVJPIV-GFCCVEGCSA-N 2 2 298.387 -0.307 20 0 CBADLP NC(=O)C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)C(N)=O ZINC001167978139 820136533 /nfs/dbraw/zinc/13/65/33/820136533.db2.gz KPDHVIGBRPTRJH-WVMKXHBISA-N 2 2 294.399 -0.289 20 0 CBADLP NC(=O)C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)C(N)=O ZINC001167978139 820136536 /nfs/dbraw/zinc/13/65/36/820136536.db2.gz KPDHVIGBRPTRJH-WVMKXHBISA-N 2 2 294.399 -0.289 20 0 CBADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCC[NH2+]CCOCCO ZINC001167976361 820137332 /nfs/dbraw/zinc/13/73/32/820137332.db2.gz BHRNHKDVSVJPIV-LBPRGKRZSA-N 2 2 298.387 -0.307 20 0 CBADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCC[NH2+]CCOCCO ZINC001167976361 820137338 /nfs/dbraw/zinc/13/73/38/820137338.db2.gz BHRNHKDVSVJPIV-LBPRGKRZSA-N 2 2 298.387 -0.307 20 0 CBADLP CCC1(Nc2cc(N3CCN(C)C(=O)C3)[nH+]cn2)C[NH2+]C1 ZINC001168582963 820165229 /nfs/dbraw/zinc/16/52/29/820165229.db2.gz ASFSJMBCXRJZTP-UHFFFAOYSA-N 2 2 290.371 -0.081 20 0 CBADLP CN1C(=O)Cc2c1ncnc2NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001168735283 820170077 /nfs/dbraw/zinc/17/00/77/820170077.db2.gz MDHGTJXDTKITKF-UHFFFAOYSA-N 2 2 289.343 -0.410 20 0 CBADLP C[NH+]1CCN(C(=[NH2+])Nc2cnc([S@@](C)=O)nc2)CC1 ZINC001168746520 820171761 /nfs/dbraw/zinc/17/17/61/820171761.db2.gz UMSGHRYYHFEPPH-LJQANCHMSA-N 2 2 282.373 -0.192 20 0 CBADLP [NH3+]Cc1nc(=O)[nH]n1-c1c[nH+]ccc1N1CCOCC1 ZINC001168761730 820181061 /nfs/dbraw/zinc/18/10/61/820181061.db2.gz UPFZIANVPYIFSY-UHFFFAOYSA-N 2 2 276.300 -0.337 20 0 CBADLP Cc1[nH+]ccn1-c1cc(-n2nnnc2C[NH3+])ncn1 ZINC001168918797 820191652 /nfs/dbraw/zinc/19/16/52/820191652.db2.gz LGXYDLAQCXYQKH-UHFFFAOYSA-N 2 2 257.261 -0.595 20 0 CBADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cc2c(cn1)OCC(=O)N2 ZINC001169066492 820203319 /nfs/dbraw/zinc/20/33/19/820203319.db2.gz FUWZPRDDPSPFQH-MRVPVSSYSA-N 2 2 289.295 -0.540 20 0 CBADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ncnc2c1C[NH2+]CC2 ZINC001169067663 820203553 /nfs/dbraw/zinc/20/35/53/820203553.db2.gz VISURJBBGJTVNP-SECBINFHSA-N 3 2 274.328 -0.830 20 0 CBADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1nc(F)nc2nc[nH]c21 ZINC001169067053 820203788 /nfs/dbraw/zinc/20/37/88/820203788.db2.gz MRZYHXLCVDBMFG-ZCFIWIBFSA-N 2 2 277.263 -0.460 20 0 CBADLP Nc1cc(Cl)nnc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169067430 820204076 /nfs/dbraw/zinc/20/40/76/820204076.db2.gz SPWYQFNPZRHJKD-ZCFIWIBFSA-N 2 2 268.708 -0.240 20 0 CBADLP CN(C)C(=O)c1cncc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c1 ZINC001169073498 820204703 /nfs/dbraw/zinc/20/47/03/820204703.db2.gz JVZFLFCKKYQRFE-LLVKDONJSA-N 2 2 289.339 -0.169 20 0 CBADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cncc2c1CC(=O)N2 ZINC001169073762 820204907 /nfs/dbraw/zinc/20/49/07/820204907.db2.gz CACVCBDLBXDSMG-MRVPVSSYSA-N 2 2 273.296 -0.376 20 0 CBADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1c[nH]c2cc(=O)[nH]c-2c1 ZINC001169073817 820205011 /nfs/dbraw/zinc/20/50/11/820205011.db2.gz MDDGFYCXEXWVBE-MRVPVSSYSA-N 2 2 273.296 -0.376 20 0 CBADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1nccc2c1OCC(=O)N2 ZINC001169071789 820205323 /nfs/dbraw/zinc/20/53/23/820205323.db2.gz LETVKBBGCTWPOB-MRVPVSSYSA-N 2 2 289.295 -0.540 20 0 CBADLP C[S@@](=O)c1ccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nc1 ZINC001169074255 820205595 /nfs/dbraw/zinc/20/55/95/820205595.db2.gz HTVLFTMVSPVDRT-AYLIAGHASA-N 2 2 280.353 -0.133 20 0 CBADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccc(-c2nn[nH]n2)nc1 ZINC001169075163 820205625 /nfs/dbraw/zinc/20/56/25/820205625.db2.gz WGBRRPZEKRPRCF-MRVPVSSYSA-N 2 2 286.299 -0.691 20 0 CBADLP NC(=O)c1ccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)cn1 ZINC001169073156 820205699 /nfs/dbraw/zinc/20/56/99/820205699.db2.gz ANZAOMYUGZQFMD-MRVPVSSYSA-N 2 2 261.285 -0.772 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](Nc2ncc3c(n2)C[NH2+]CC3)C[NH2+]1 ZINC001169129978 820210699 /nfs/dbraw/zinc/21/06/99/820210699.db2.gz QFSKITVSAXMOJG-ZJUUUORDSA-N 2 2 277.328 -0.562 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](Nc2cc3c(nn2)C[NH2+]C3)C[NH2+]1 ZINC001169131119 820211277 /nfs/dbraw/zinc/21/12/77/820211277.db2.gz ZSAUPMMLSYNQIP-BDAKNGLRSA-N 2 2 263.301 -0.605 20 0 CBADLP C[C@H]([NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1)C(=O)N(C)C ZINC001169211314 820214527 /nfs/dbraw/zinc/21/45/27/820214527.db2.gz CXONVHPCPQUMNI-JTQLQIEISA-N 2 2 281.360 -0.475 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NCCC[NH2+]CCNC(=O)C1CC1 ZINC001169211575 820214599 /nfs/dbraw/zinc/21/45/99/820214599.db2.gz GLJJWAZYOLWBSG-UHFFFAOYSA-N 2 2 293.371 -0.426 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NCCC[NH2+]CC(=O)N1CCCC1 ZINC001169204472 820215174 /nfs/dbraw/zinc/21/51/74/820215174.db2.gz LCSFCRRAEWGHMC-UHFFFAOYSA-N 2 2 293.371 -0.330 20 0 CBADLP CN1CCN(c2cc(NCC3C[NH+](C)C3)nc[nH+]2)CC1=O ZINC001170253211 820283030 /nfs/dbraw/zinc/28/30/30/820283030.db2.gz HZLHWJNQXPTGQS-UHFFFAOYSA-N 2 2 290.371 -0.272 20 0 CBADLP C[C@H](Nc1[nH+]cnc2[nH]cc(C(N)=O)c21)[C@H]1C[NH2+]CCO1 ZINC001170568244 820307468 /nfs/dbraw/zinc/30/74/68/820307468.db2.gz HTSZZWFKNOETLF-IONNQARKSA-N 2 2 290.327 -0.154 20 0 CBADLP CN1CCOc2c1cn[nH+]c2N[C@H]1C[NH2+]C[C@H]1CO ZINC001170775502 820319259 /nfs/dbraw/zinc/31/92/59/820319259.db2.gz NBKMLOIRUFDCIL-IUCAKERBSA-N 2 2 265.317 -0.703 20 0 CBADLP CC[C@@]([NH3+])(CO)Nc1[nH+]ncc2c1OCCN2C ZINC001170860499 820330078 /nfs/dbraw/zinc/33/00/78/820330078.db2.gz XCXAEPPPVBAKMR-NSHDSACASA-N 2 2 253.306 -0.226 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NCCC[NH2+]Cc1cnon1 ZINC001171236823 820352656 /nfs/dbraw/zinc/35/26/56/820352656.db2.gz DKPGYHQYAOLCMV-UHFFFAOYSA-N 2 2 278.316 -0.358 20 0 CBADLP COCC[NH2+]CCCNC(=O)Cc1c[nH+]cn1C ZINC001171238092 820353256 /nfs/dbraw/zinc/35/32/56/820353256.db2.gz LPBFIVDDFXIYPR-UHFFFAOYSA-N 2 2 254.334 -0.295 20 0 CBADLP [NH3+]C[C@H]1C[N@@H+]([C@@H]2CCN(C3CC3)C(=O)C2)CCO1 ZINC001172000595 820373228 /nfs/dbraw/zinc/37/32/28/820373228.db2.gz QODYJMVCBJGRCV-NEPJUHHUSA-N 2 2 253.346 -0.201 20 0 CBADLP [NH3+]C[C@H]1C[N@H+]([C@@H]2CCN(C3CC3)C(=O)C2)CCO1 ZINC001172000595 820373239 /nfs/dbraw/zinc/37/32/39/820373239.db2.gz QODYJMVCBJGRCV-NEPJUHHUSA-N 2 2 253.346 -0.201 20 0 CBADLP COC(=O)[C@@H]1C[C@@H]([NH2+]CC2C[NH+](C)C2)C[C@@H]1C(=O)OC ZINC001173572245 820406174 /nfs/dbraw/zinc/40/61/74/820406174.db2.gz CYSWCRRVNBASOD-CNDDSTCGSA-N 2 2 284.356 -0.122 20 0 CBADLP [NH3+]C[C@@H]1C[N@@H+]([C@H]2CCC[C@H](n3ncnn3)C2)CCO1 ZINC001173733081 820408778 /nfs/dbraw/zinc/40/87/78/820408778.db2.gz IATDEDYVAFWPLE-SDDRHHMPSA-N 2 2 266.349 -0.184 20 0 CBADLP [NH3+]C[C@@H]1C[N@H+]([C@H]2CCC[C@H](n3ncnn3)C2)CCO1 ZINC001173733081 820408783 /nfs/dbraw/zinc/40/87/83/820408783.db2.gz IATDEDYVAFWPLE-SDDRHHMPSA-N 2 2 266.349 -0.184 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCCC[NH2+][C@@H](C)C(=O)N(C)C ZINC001174692490 820414935 /nfs/dbraw/zinc/41/49/35/820414935.db2.gz UOFMLWUTTGRWDQ-NSHDSACASA-N 2 2 295.387 -0.167 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCCC[NH2+][C@H]1CCCNC1=O ZINC001174682200 820415279 /nfs/dbraw/zinc/41/52/79/820415279.db2.gz FTHFOKNABAUVIF-NSHDSACASA-N 2 2 293.371 -0.365 20 0 CBADLP C[NH+](C)C[C@H]1COCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001176831498 820458761 /nfs/dbraw/zinc/45/87/61/820458761.db2.gz UCNTYNZBWMKNOX-NSHDSACASA-N 2 2 252.318 -0.259 20 0 CBADLP C[NH+]1CCC(CO)(NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001176836942 820461258 /nfs/dbraw/zinc/46/12/58/820461258.db2.gz ZMRYSVUVRSDIEJ-UHFFFAOYSA-N 2 2 252.318 -0.475 20 0 CBADLP CCOC(=O)CN(CC[NH3+])C(=O)CCn1cc[nH+]c1 ZINC001176883901 820475166 /nfs/dbraw/zinc/47/51/66/820475166.db2.gz PRBPMAKQRKBSGK-UHFFFAOYSA-N 2 2 268.317 -0.376 20 0 CBADLP C[NH+](C)[C@H](C(=O)NCCC[NH2+]CCO)c1cccnc1 ZINC001177064444 820491418 /nfs/dbraw/zinc/49/14/18/820491418.db2.gz QFZQBDBWPDGRBX-ZDUSSCGKSA-N 2 2 280.372 -0.228 20 0 CBADLP C[NH+](C)CCC(=O)N1CC[C@H]2OCC[N@H+](CCCO)[C@@H]2C1 ZINC001177089323 820492915 /nfs/dbraw/zinc/49/29/15/820492915.db2.gz RLSHTRVIKNQIDM-ZIAGYGMSSA-N 2 2 299.415 -0.378 20 0 CBADLP C[NH+](C)CCC(=O)N1CC[C@H]2OCC[N@@H+](CCCO)[C@@H]2C1 ZINC001177089323 820492919 /nfs/dbraw/zinc/49/29/19/820492919.db2.gz RLSHTRVIKNQIDM-ZIAGYGMSSA-N 2 2 299.415 -0.378 20 0 CBADLP C[NH+](C)CCC(=O)N1CC[C@@H]2OCC[N@H+](CCCO)[C@H]2C1 ZINC001177089318 820493079 /nfs/dbraw/zinc/49/30/79/820493079.db2.gz RLSHTRVIKNQIDM-KBPBESRZSA-N 2 2 299.415 -0.378 20 0 CBADLP C[NH+](C)CCC(=O)N1CC[C@@H]2OCC[N@@H+](CCCO)[C@H]2C1 ZINC001177089318 820493084 /nfs/dbraw/zinc/49/30/84/820493084.db2.gz RLSHTRVIKNQIDM-KBPBESRZSA-N 2 2 299.415 -0.378 20 0 CBADLP CC[N@@H+]1CCO[C@@H]2CCN(C(=O)COCC[NH+](C)C)C[C@@H]21 ZINC001177138018 820494469 /nfs/dbraw/zinc/49/44/69/820494469.db2.gz HTWTWINPVHEFIN-UONOGXRCSA-N 2 2 299.415 -0.114 20 0 CBADLP CC[N@H+]1CCO[C@@H]2CCN(C(=O)COCC[NH+](C)C)C[C@@H]21 ZINC001177138018 820494471 /nfs/dbraw/zinc/49/44/71/820494471.db2.gz HTWTWINPVHEFIN-UONOGXRCSA-N 2 2 299.415 -0.114 20 0 CBADLP O=C(CCCn1cc[nH+]c1)NCCC[NH2+][C@H]1CCNC1=O ZINC001177351625 820505912 /nfs/dbraw/zinc/50/59/12/820505912.db2.gz KRGIWVJPQLEGGT-LBPRGKRZSA-N 2 2 293.371 -0.352 20 0 CBADLP Cn1nncc1C[NH2+]CCCNC(=O)Cn1cc[nH+]c1 ZINC001177401564 820511506 /nfs/dbraw/zinc/51/15/06/820511506.db2.gz VSCRKVHTGCPTOH-UHFFFAOYSA-N 2 2 277.332 -0.692 20 0 CBADLP C[C@@H]([NH2+]CCCNC(=O)Cn1cc[nH+]c1)C(=O)N(C)C ZINC001177404550 820511556 /nfs/dbraw/zinc/51/15/56/820511556.db2.gz DHBMTPJKYANSPP-LLVKDONJSA-N 2 2 281.360 -0.544 20 0 CBADLP Cn1cc(C[NH2+]CCCNC(=O)Cn2cc[nH+]c2)cn1 ZINC001177401523 820511782 /nfs/dbraw/zinc/51/17/82/820511782.db2.gz VBECHGZTLQDNTL-UHFFFAOYSA-N 2 2 276.344 -0.087 20 0 CBADLP CS(=O)(=O)CC[NH2+]CCCNC(=O)Cn1cc[nH+]c1 ZINC001177401909 820512031 /nfs/dbraw/zinc/51/20/31/820512031.db2.gz XXDWCQINSBYXSF-UHFFFAOYSA-N 2 2 288.373 -0.976 20 0 CBADLP CN(CC(=O)N(CC[NH3+])S(C)(=O)=O)c1cccc[nH+]1 ZINC001177409752 820513306 /nfs/dbraw/zinc/51/33/06/820513306.db2.gz ZJLHEYWQZFMIGI-UHFFFAOYSA-N 2 2 286.357 -0.735 20 0 CBADLP C[C@@H]([NH2+]CCCNC(=O)Cn1cc[nH+]c1)C(=O)NC1CC1 ZINC001177415137 820514404 /nfs/dbraw/zinc/51/44/04/820514404.db2.gz OLQFWNPSUFHEQZ-LLVKDONJSA-N 2 2 293.371 -0.354 20 0 CBADLP CCCNC(=O)[C@H](C)[NH2+]CCCNC(=O)Cn1cc[nH+]c1 ZINC001177414511 820515424 /nfs/dbraw/zinc/51/54/24/820515424.db2.gz DMAXWIFEJRSGFS-LBPRGKRZSA-N 2 2 295.387 -0.106 20 0 CBADLP NC(=[NH2+])N(CCCC[NH3+])C(=O)CCc1[nH]cc[nH+]1 ZINC001177997995 820552602 /nfs/dbraw/zinc/55/26/02/820552602.db2.gz JPNXDHYUJZCRED-UHFFFAOYSA-N 3 2 252.322 -0.197 20 0 CBADLP C[NH+]1CC2(CN(C(=O)CN3CC[NH+](C)CC3)C2)C1 ZINC001178952188 820608636 /nfs/dbraw/zinc/60/86/36/820608636.db2.gz YDDBPYTVFSCCOU-UHFFFAOYSA-N 2 2 252.362 -0.992 20 0 CBADLP C[C@H]1[C@@H]([NH2+]CCOCCO)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001179783120 820640040 /nfs/dbraw/zinc/64/00/40/820640040.db2.gz CTXZHBODYWTCFC-RYUDHWBXSA-N 2 2 296.371 -0.460 20 0 CBADLP C[C@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)CCCn1cc[nH+]c1 ZINC001180276191 820665501 /nfs/dbraw/zinc/66/55/01/820665501.db2.gz OZHHRZHHKKEQJT-RYUDHWBXSA-N 2 2 293.371 -0.272 20 0 CBADLP CC(C)[NH+]1CCN(CC(=O)NC[C@H]2C[N@H+](C)CCO2)CC1 ZINC001180349104 820671203 /nfs/dbraw/zinc/67/12/03/820671203.db2.gz FBSNGTBGPZRSJQ-AWEZNQCLSA-N 2 2 298.431 -0.541 20 0 CBADLP CC(C)[NH+]1CCN(CC(=O)NC[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001180349104 820671208 /nfs/dbraw/zinc/67/12/08/820671208.db2.gz FBSNGTBGPZRSJQ-AWEZNQCLSA-N 2 2 298.431 -0.541 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](CCC(C)(C)O)CC2)C1 ZINC001180757850 820715955 /nfs/dbraw/zinc/71/59/55/820715955.db2.gz AYEGVLALKWUMPW-CYBMUJFWSA-N 2 2 299.415 -0.378 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](CCC(C)(C)O)CC2)C1 ZINC001180757850 820715956 /nfs/dbraw/zinc/71/59/56/820715956.db2.gz AYEGVLALKWUMPW-CYBMUJFWSA-N 2 2 299.415 -0.378 20 0 CBADLP C[NH+](C)C[C@H]1COCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001180759264 820719493 /nfs/dbraw/zinc/71/94/93/820719493.db2.gz MKDIGRPMXKANFN-NWDGAFQWSA-N 2 2 271.361 -0.894 20 0 CBADLP C[NH+](C)C[C@H]1COCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001180759264 820719500 /nfs/dbraw/zinc/71/95/00/820719500.db2.gz MKDIGRPMXKANFN-NWDGAFQWSA-N 2 2 271.361 -0.894 20 0 CBADLP COC(=O)[C@H](CCc1cn(C)c[nH+]1)NC(=O)[C@H](C)[NH+](C)C ZINC001180863509 820734709 /nfs/dbraw/zinc/73/47/09/820734709.db2.gz KIOIJEKQOYKXOX-JQWIXIFHSA-N 2 2 296.371 -0.039 20 0 CBADLP Cc1ncc(C[NH3+])c(=N)n1C(=O)Cc1cc[nH+]c(N)c1 ZINC001181263677 820769587 /nfs/dbraw/zinc/76/95/87/820769587.db2.gz AGHDWPYUDQEFQD-UHFFFAOYSA-N 2 2 272.312 -0.010 20 0 CBADLP N=c1cc(C[NH3+])ncn1C(=O)Cc1cc[nH+]c(N)c1 ZINC001181266486 820770346 /nfs/dbraw/zinc/77/03/46/820770346.db2.gz ZZGLEOUOCBIDOU-UHFFFAOYSA-N 2 2 258.285 -0.319 20 0 CBADLP CCOC(=O)CN(CC[NH3+])C(=O)Cc1cc[nH+]c(N)c1 ZINC001181280112 820772071 /nfs/dbraw/zinc/77/20/71/820772071.db2.gz RSQORUOWXHWMAI-UHFFFAOYSA-N 2 2 280.328 -0.443 20 0 CBADLP O=C(N[C@@H](CO)Cc1c[nH]c[nH+]1)C12CC[NH+](CC1)CC2 ZINC001181551707 820796739 /nfs/dbraw/zinc/79/67/39/820796739.db2.gz LNSVOAWIEKEWHC-GFCCVEGCSA-N 2 2 278.356 -0.085 20 0 CBADLP O=C(N[C@@H](CO)Cc1c[nH+]c[nH]1)C12CC[NH+](CC1)CC2 ZINC001181551707 820796744 /nfs/dbraw/zinc/79/67/44/820796744.db2.gz LNSVOAWIEKEWHC-GFCCVEGCSA-N 2 2 278.356 -0.085 20 0 CBADLP COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)C12CC[NH+](CC1)CC2 ZINC001181546223 820796941 /nfs/dbraw/zinc/79/69/41/820796941.db2.gz ILRCXCFGPMBWQL-LBPRGKRZSA-N 2 2 295.383 -0.212 20 0 CBADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)C12CC[NH+](CC1)CC2 ZINC001181546223 820796945 /nfs/dbraw/zinc/79/69/45/820796945.db2.gz ILRCXCFGPMBWQL-LBPRGKRZSA-N 2 2 295.383 -0.212 20 0 CBADLP C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001182010295 820848349 /nfs/dbraw/zinc/84/83/49/820848349.db2.gz KXMHECPASZLNIR-OLZOCXBDSA-N 2 2 267.373 -0.225 20 0 CBADLP C[N@H+]1CCO[C@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001182010295 820848358 /nfs/dbraw/zinc/84/83/58/820848358.db2.gz KXMHECPASZLNIR-OLZOCXBDSA-N 2 2 267.373 -0.225 20 0 CBADLP C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001182010294 820848680 /nfs/dbraw/zinc/84/86/80/820848680.db2.gz KXMHECPASZLNIR-CHWSQXEVSA-N 2 2 267.373 -0.225 20 0 CBADLP C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001182010294 820848691 /nfs/dbraw/zinc/84/86/91/820848691.db2.gz KXMHECPASZLNIR-CHWSQXEVSA-N 2 2 267.373 -0.225 20 0 CBADLP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001182204993 820890376 /nfs/dbraw/zinc/89/03/76/820890376.db2.gz XZHCAFSXXXVFFP-SNVBAGLBSA-N 2 2 279.344 -0.721 20 0 CBADLP COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001182204448 820891145 /nfs/dbraw/zinc/89/11/45/820891145.db2.gz OQXSBWADAYCRAX-VXGBXAGGSA-N 2 2 296.371 -0.460 20 0 CBADLP C[C@H]([NH2+][C@@H]1CCCNC(=O)C1)[C@H]1C[N@H+](C)CCN1C ZINC001183919031 821039889 /nfs/dbraw/zinc/03/98/89/821039889.db2.gz FCRHBAZSCCCWRW-YNEHKIRRSA-N 2 2 268.405 -0.121 20 0 CBADLP C[C@H]([NH2+][C@@H]1CCCNC(=O)C1)[C@H]1C[N@@H+](C)CCN1C ZINC001183919031 821039899 /nfs/dbraw/zinc/03/98/99/821039899.db2.gz FCRHBAZSCCCWRW-YNEHKIRRSA-N 2 2 268.405 -0.121 20 0 CBADLP COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001184710167 821082536 /nfs/dbraw/zinc/08/25/36/821082536.db2.gz SULXARZLVRCLND-CHWSQXEVSA-N 2 2 296.371 -0.529 20 0 CBADLP Cn1c[nH+]c(CCNC(=O)[C@H]2C[N@H+](C)CCN2C)c1 ZINC001185262747 821117283 /nfs/dbraw/zinc/11/72/83/821117283.db2.gz PMLGPESODTUZSY-GFCCVEGCSA-N 2 2 265.361 -0.675 20 0 CBADLP Cn1c[nH+]c(CCNC(=O)[C@H]2C[N@@H+](C)CCN2C)c1 ZINC001185262747 821117285 /nfs/dbraw/zinc/11/72/85/821117285.db2.gz PMLGPESODTUZSY-GFCCVEGCSA-N 2 2 265.361 -0.675 20 0 CBADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@H]1C[NH2+]CC(N)=O ZINC001185381834 821126349 /nfs/dbraw/zinc/12/63/49/821126349.db2.gz SNLQJMKYMANHGA-MNOVXSKESA-N 2 2 293.371 -0.488 20 0 CBADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@@H]1C[NH2+]CC(N)=O ZINC001185381833 821126591 /nfs/dbraw/zinc/12/65/91/821126591.db2.gz SNLQJMKYMANHGA-GHMZBOCLSA-N 2 2 293.371 -0.488 20 0 CBADLP C[NH+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2cnon2)C1 ZINC001185416452 821129381 /nfs/dbraw/zinc/12/93/81/821129381.db2.gz WASXEFJOHRBZGQ-SNVBAGLBSA-N 2 2 267.333 -0.288 20 0 CBADLP C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@@H]1C[NH2+]CCO ZINC001185790119 821142232 /nfs/dbraw/zinc/14/22/32/821142232.db2.gz XVGLYZKGZFCVOU-QWHCGFSZSA-N 2 2 280.372 -0.050 20 0 CBADLP CCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001185918563 821144508 /nfs/dbraw/zinc/14/45/08/821144508.db2.gz NQEONRVBIHSYCD-LLVKDONJSA-N 2 2 293.371 -0.331 20 0 CBADLP COCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001185918992 821144556 /nfs/dbraw/zinc/14/45/56/821144556.db2.gz QTOMYNLJMKONCW-SNVBAGLBSA-N 2 2 252.318 -0.211 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H]([NH2+]CCCO)C1 ZINC001185924563 821146294 /nfs/dbraw/zinc/14/62/94/821146294.db2.gz BZUWQZWZTBWDEG-SNVBAGLBSA-N 2 2 252.318 -0.475 20 0 CBADLP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001186221787 821176760 /nfs/dbraw/zinc/17/67/60/821176760.db2.gz PINSTOJNLNGCLN-GHMZBOCLSA-N 2 2 293.371 -0.475 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@H](CC[NH2+]CCO)C1 ZINC001280241022 828346823 /nfs/dbraw/zinc/34/68/23/828346823.db2.gz KFBAVXAWAQOWHY-NSHDSACASA-N 2 2 266.345 -0.227 20 0 CBADLP CCOCC[NH+]1CC2(C1)C[C@H](NC(=O)CC[NH+](C)C)CO2 ZINC001280969746 828384583 /nfs/dbraw/zinc/38/45/83/828384583.db2.gz SOGJWEHTZSYARZ-ZDUSSCGKSA-N 2 2 299.415 -0.066 20 0 CBADLP C[C@@H]([NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1)C(=O)N(C)C ZINC001188369334 822332848 /nfs/dbraw/zinc/33/28/48/822332848.db2.gz UMPZUWYMQLAAKT-VXGBXAGGSA-N 2 2 293.371 -0.450 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001188369344 822334122 /nfs/dbraw/zinc/33/41/22/822334122.db2.gz VGUSMZUYZCSZQB-WDEREUQCSA-N 2 2 279.344 -0.792 20 0 CBADLP C[N@@H+]1CC[C@@H](C(=O)NCCNC(=O)Cn2cc[nH+]c2)C1 ZINC001283026233 828490203 /nfs/dbraw/zinc/49/02/03/828490203.db2.gz UFDLAXBPDPTOTF-LLVKDONJSA-N 2 2 279.344 -0.933 20 0 CBADLP C[N@H+]1CC[C@@H](C(=O)NCCNC(=O)Cn2cc[nH+]c2)C1 ZINC001283026233 828490206 /nfs/dbraw/zinc/49/02/06/828490206.db2.gz UFDLAXBPDPTOTF-LLVKDONJSA-N 2 2 279.344 -0.933 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NCCNC(=O)C[NH+]1CCCC1 ZINC001283025110 828490883 /nfs/dbraw/zinc/49/08/83/828490883.db2.gz OMHLMPQWVNDSMM-UHFFFAOYSA-N 2 2 293.371 -0.709 20 0 CBADLP C[C@@H](C[NH+](C)C)NS(=O)(=O)N1CC[NH+](C)CC1 ZINC001190052682 823796951 /nfs/dbraw/zinc/79/69/51/823796951.db2.gz VWDQIZHERBXPTD-JTQLQIEISA-N 2 2 264.395 -0.982 20 0 CBADLP CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001191802159 823924146 /nfs/dbraw/zinc/92/41/46/823924146.db2.gz KGOKXKQKIGPUDX-JHJVBQTASA-N 2 2 285.388 -0.722 20 0 CBADLP CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001191802159 823924147 /nfs/dbraw/zinc/92/41/47/823924147.db2.gz KGOKXKQKIGPUDX-JHJVBQTASA-N 2 2 285.388 -0.722 20 0 CBADLP CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001191802159 823924155 /nfs/dbraw/zinc/92/41/55/823924155.db2.gz KGOKXKQKIGPUDX-JHJVBQTASA-N 2 2 285.388 -0.722 20 0 CBADLP CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001191802159 823924166 /nfs/dbraw/zinc/92/41/66/823924166.db2.gz KGOKXKQKIGPUDX-JHJVBQTASA-N 2 2 285.388 -0.722 20 0 CBADLP CC[NH2+]C[C@H](O)CN(C)C(=O)CCc1[nH+]ccn1C ZINC001284432699 828594765 /nfs/dbraw/zinc/59/47/65/828594765.db2.gz UGAKTGLJYLAKOY-NSHDSACASA-N 2 2 268.361 -0.219 20 0 CBADLP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[NH+](CCF)C[C@H]1O ZINC001193901045 824050398 /nfs/dbraw/zinc/05/03/98/824050398.db2.gz BENLFULGXAXSGY-JHJVBQTASA-N 2 2 287.379 -0.008 20 0 CBADLP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[NH+](CCF)C[C@H]1O ZINC001193901045 824050401 /nfs/dbraw/zinc/05/04/01/824050401.db2.gz BENLFULGXAXSGY-JHJVBQTASA-N 2 2 287.379 -0.008 20 0 CBADLP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[N@H+](CCF)C[C@H]1O ZINC001193901045 824050406 /nfs/dbraw/zinc/05/04/06/824050406.db2.gz BENLFULGXAXSGY-JHJVBQTASA-N 2 2 287.379 -0.008 20 0 CBADLP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1O ZINC001193901045 824050412 /nfs/dbraw/zinc/05/04/12/824050412.db2.gz BENLFULGXAXSGY-JHJVBQTASA-N 2 2 287.379 -0.008 20 0 CBADLP CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001194126541 824060280 /nfs/dbraw/zinc/06/02/80/824060280.db2.gz CHGAXCABDGXCHL-HZSPNIEDSA-N 2 2 299.415 -0.332 20 0 CBADLP CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001194126541 824060290 /nfs/dbraw/zinc/06/02/90/824060290.db2.gz CHGAXCABDGXCHL-HZSPNIEDSA-N 2 2 299.415 -0.332 20 0 CBADLP CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001194126541 824060295 /nfs/dbraw/zinc/06/02/95/824060295.db2.gz CHGAXCABDGXCHL-HZSPNIEDSA-N 2 2 299.415 -0.332 20 0 CBADLP CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001194126541 824060300 /nfs/dbraw/zinc/06/03/00/824060300.db2.gz CHGAXCABDGXCHL-HZSPNIEDSA-N 2 2 299.415 -0.332 20 0 CBADLP CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001195149460 824104719 /nfs/dbraw/zinc/10/47/19/824104719.db2.gz NYMBZOAZEMYGDW-GHMZBOCLSA-N 2 2 252.318 -0.546 20 0 CBADLP CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001195149460 824104721 /nfs/dbraw/zinc/10/47/21/824104721.db2.gz NYMBZOAZEMYGDW-GHMZBOCLSA-N 2 2 252.318 -0.546 20 0 CBADLP CCOCC[N@@H+]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001195404676 824115934 /nfs/dbraw/zinc/11/59/34/824115934.db2.gz QXNPTHPKDLVUSG-AWEZNQCLSA-N 2 2 299.415 -0.112 20 0 CBADLP CCOCC[N@H+]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001195404676 824115938 /nfs/dbraw/zinc/11/59/38/824115938.db2.gz QXNPTHPKDLVUSG-AWEZNQCLSA-N 2 2 299.415 -0.112 20 0 CBADLP CCOCC[NH+]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001195404676 824115939 /nfs/dbraw/zinc/11/59/39/824115939.db2.gz QXNPTHPKDLVUSG-AWEZNQCLSA-N 2 2 299.415 -0.112 20 0 CBADLP CCOCC[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001195404676 824115942 /nfs/dbraw/zinc/11/59/42/824115942.db2.gz QXNPTHPKDLVUSG-AWEZNQCLSA-N 2 2 299.415 -0.112 20 0 CBADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2cncs2)C[C@H]1O ZINC001195860211 824135351 /nfs/dbraw/zinc/13/53/51/824135351.db2.gz UDWTUVDYTVTSNF-VXGBXAGGSA-N 2 2 298.412 -0.244 20 0 CBADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cncs2)C[C@H]1O ZINC001195860211 824135355 /nfs/dbraw/zinc/13/53/55/824135355.db2.gz UDWTUVDYTVTSNF-VXGBXAGGSA-N 2 2 298.412 -0.244 20 0 CBADLP COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001196501349 824161239 /nfs/dbraw/zinc/16/12/39/824161239.db2.gz XMSYQECEEDGPKT-JHJVBQTASA-N 2 2 296.371 -0.358 20 0 CBADLP COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001196501349 824161242 /nfs/dbraw/zinc/16/12/42/824161242.db2.gz XMSYQECEEDGPKT-JHJVBQTASA-N 2 2 296.371 -0.358 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CCCN(C(=O)CCC[NH+](C)C)CC1 ZINC001196963556 824173172 /nfs/dbraw/zinc/17/31/72/824173172.db2.gz VUUJSPJCCWUSOW-LBPRGKRZSA-N 2 2 284.404 -0.264 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CCCN(C(=O)CCC[NH+](C)C)CC1 ZINC001196963556 824173174 /nfs/dbraw/zinc/17/31/74/824173174.db2.gz VUUJSPJCCWUSOW-LBPRGKRZSA-N 2 2 284.404 -0.264 20 0 CBADLP C[NH+](C)CCCC(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC001196970780 824174904 /nfs/dbraw/zinc/17/49/04/824174904.db2.gz WHVHCORRIQCQGO-UHFFFAOYSA-N 2 2 270.377 -0.652 20 0 CBADLP C[NH+](C)CCCC(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC001196970780 824174906 /nfs/dbraw/zinc/17/49/06/824174906.db2.gz WHVHCORRIQCQGO-UHFFFAOYSA-N 2 2 270.377 -0.652 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CCCN(C(=O)CC[NH+](C)C)CC1 ZINC001197038863 824175531 /nfs/dbraw/zinc/17/55/31/824175531.db2.gz ZJSNGVBNHRYCAK-NSHDSACASA-N 2 2 270.377 -0.654 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CCCN(C(=O)CC[NH+](C)C)CC1 ZINC001197038863 824175532 /nfs/dbraw/zinc/17/55/32/824175532.db2.gz ZJSNGVBNHRYCAK-NSHDSACASA-N 2 2 270.377 -0.654 20 0 CBADLP COC[C@H](O)C[N@@H+]1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001197270023 824185941 /nfs/dbraw/zinc/18/59/41/824185941.db2.gz YJAWVDLNVSNZNC-CYBMUJFWSA-N 2 2 296.371 -0.506 20 0 CBADLP COC[C@H](O)C[N@H+]1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001197270023 824185947 /nfs/dbraw/zinc/18/59/47/824185947.db2.gz YJAWVDLNVSNZNC-CYBMUJFWSA-N 2 2 296.371 -0.506 20 0 CBADLP CC[NH+](CC)CC(=O)N1CCC[N@@H+]([C@H](C)C(N)=O)CC1 ZINC001197511985 824193648 /nfs/dbraw/zinc/19/36/48/824193648.db2.gz SNRQBPIYRSKUJK-GFCCVEGCSA-N 2 2 284.404 -0.264 20 0 CBADLP CC[NH+](CC)CC(=O)N1CCC[N@H+]([C@H](C)C(N)=O)CC1 ZINC001197511985 824193649 /nfs/dbraw/zinc/19/36/49/824193649.db2.gz SNRQBPIYRSKUJK-GFCCVEGCSA-N 2 2 284.404 -0.264 20 0 CBADLP COCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001197776586 824201987 /nfs/dbraw/zinc/20/19/87/824201987.db2.gz YTAVRNVIUDCQDD-CHWSQXEVSA-N 2 2 296.371 -0.840 20 0 CBADLP COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001197776586 824201989 /nfs/dbraw/zinc/20/19/89/824201989.db2.gz YTAVRNVIUDCQDD-CHWSQXEVSA-N 2 2 296.371 -0.840 20 0 CBADLP CCC[N@@H+](C)CC(=O)N1CCC[NH+](CC(=O)NC)CC1 ZINC001197907361 824209181 /nfs/dbraw/zinc/20/91/81/824209181.db2.gz CLNOXYLWHCRDQX-UHFFFAOYSA-N 2 2 284.404 -0.392 20 0 CBADLP CCC[NH+](C)CC(=O)N1CCC[N@H+](CC(=O)NC)CC1 ZINC001197907361 824209186 /nfs/dbraw/zinc/20/91/86/824209186.db2.gz CLNOXYLWHCRDQX-UHFFFAOYSA-N 2 2 284.404 -0.392 20 0 CBADLP CCC[NH+](C)CC(=O)N1CCC[N@@H+](CC(=O)NC)CC1 ZINC001197907361 824209195 /nfs/dbraw/zinc/20/91/95/824209195.db2.gz CLNOXYLWHCRDQX-UHFFFAOYSA-N 2 2 284.404 -0.392 20 0 CBADLP CCC[N@@H+](C)CC(=O)N1CCC[NH+](CC(=O)N(C)C)CC1 ZINC001197913868 824209627 /nfs/dbraw/zinc/20/96/27/824209627.db2.gz HCXJSTLHUWSANV-UHFFFAOYSA-N 2 2 298.431 -0.049 20 0 CBADLP CCC[NH+](C)CC(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC001197913868 824209637 /nfs/dbraw/zinc/20/96/37/824209637.db2.gz HCXJSTLHUWSANV-UHFFFAOYSA-N 2 2 298.431 -0.049 20 0 CBADLP CCC[NH+](C)CC(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC001197913868 824209645 /nfs/dbraw/zinc/20/96/45/824209645.db2.gz HCXJSTLHUWSANV-UHFFFAOYSA-N 2 2 298.431 -0.049 20 0 CBADLP CC(C)OCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001198671700 824235760 /nfs/dbraw/zinc/23/57/60/824235760.db2.gz JKRFZSLYFIZPLA-ZIAGYGMSSA-N 2 2 299.415 -0.332 20 0 CBADLP CC(C)OCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001198671700 824235767 /nfs/dbraw/zinc/23/57/67/824235767.db2.gz JKRFZSLYFIZPLA-ZIAGYGMSSA-N 2 2 299.415 -0.332 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)N1CCCO[C@@H](C[NH2+]CCO)C1 ZINC001200652867 824323919 /nfs/dbraw/zinc/32/39/19/824323919.db2.gz ARUHHCJOTGVTQS-ZDUSSCGKSA-N 2 2 296.371 -0.458 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)N1CCCO[C@@H](C[NH2+]CCO)C1 ZINC001200652867 824323915 /nfs/dbraw/zinc/32/39/15/824323915.db2.gz ARUHHCJOTGVTQS-ZDUSSCGKSA-N 2 2 296.371 -0.458 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CCC([NH2+]CCCO)CC1 ZINC001202667374 824350330 /nfs/dbraw/zinc/35/03/30/824350330.db2.gz IZAYLDYPBYUSTE-UHFFFAOYSA-N 2 2 266.345 -0.085 20 0 CBADLP CNC(=O)C[NH2+]C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001204075654 824364101 /nfs/dbraw/zinc/36/41/01/824364101.db2.gz BUWJFMLOBFFUQB-UHFFFAOYSA-N 2 2 279.344 -0.790 20 0 CBADLP CN(CC[NH+]1CCOCC1)C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001204848083 824372142 /nfs/dbraw/zinc/37/21/42/824372142.db2.gz KUWGDGQBZPXYFQ-LBPRGKRZSA-N 2 2 257.378 -0.025 20 0 CBADLP CC1(C)[NH2+]C[C@@H](C[N@@H+]2CCC[C@](O)(C[NH3+])CC2)O1 ZINC001205209782 824375248 /nfs/dbraw/zinc/37/52/48/824375248.db2.gz LECJQIVPYKVYER-WCQYABFASA-N 3 2 257.378 -0.113 20 0 CBADLP CC1(C)[NH2+]C[C@@H](C[N@H+]2CCC[C@](O)(C[NH3+])CC2)O1 ZINC001205209782 824375254 /nfs/dbraw/zinc/37/52/54/824375254.db2.gz LECJQIVPYKVYER-WCQYABFASA-N 3 2 257.378 -0.113 20 0 CBADLP Nc1ncc(C[N@@H+]2CCCC[C@](O)(C[NH3+])C2)cn1 ZINC001205672921 824380624 /nfs/dbraw/zinc/38/06/24/824380624.db2.gz MNWMLRVXUUECRN-LBPRGKRZSA-N 2 2 251.334 -0.266 20 0 CBADLP Nc1ncc(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)cn1 ZINC001205672921 824380628 /nfs/dbraw/zinc/38/06/28/824380628.db2.gz MNWMLRVXUUECRN-LBPRGKRZSA-N 2 2 251.334 -0.266 20 0 CBADLP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001205946056 824390864 /nfs/dbraw/zinc/39/08/64/824390864.db2.gz HUFOBWRHLKVROA-UKKRHICBSA-N 3 2 263.332 -0.129 20 0 CBADLP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001205946056 824390866 /nfs/dbraw/zinc/39/08/66/824390866.db2.gz HUFOBWRHLKVROA-UKKRHICBSA-N 3 2 263.332 -0.129 20 0 CBADLP CS(=O)(=O)Nc1cccc(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c1 ZINC001206474861 824400570 /nfs/dbraw/zinc/40/05/70/824400570.db2.gz GTIRAFSYKWGHRM-WCQYABFASA-N 2 2 299.396 -0.191 20 0 CBADLP CS(=O)(=O)Nc1cccc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c1 ZINC001206474861 824400573 /nfs/dbraw/zinc/40/05/73/824400573.db2.gz GTIRAFSYKWGHRM-WCQYABFASA-N 2 2 299.396 -0.191 20 0 CBADLP NC(=O)C[NH2+]CC1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001206683175 824405729 /nfs/dbraw/zinc/40/57/29/824405729.db2.gz CHFPFXXEFCOFMX-UHFFFAOYSA-N 2 2 279.344 -0.734 20 0 CBADLP C(C[NH+]1CCOCC1)N1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC001207437220 824427817 /nfs/dbraw/zinc/42/78/17/824427817.db2.gz DWZRPPQODUNBRG-UHFFFAOYSA-N 3 2 296.459 -0.064 20 0 CBADLP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001207550741 824430790 /nfs/dbraw/zinc/43/07/90/824430790.db2.gz HQCPANJTQDVIKB-XWIASGKRSA-N 2 2 282.388 -0.752 20 0 CBADLP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001207550741 824430792 /nfs/dbraw/zinc/43/07/92/824430792.db2.gz HQCPANJTQDVIKB-XWIASGKRSA-N 2 2 282.388 -0.752 20 0 CBADLP C[NH+](C)CCN1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC001208126875 824447865 /nfs/dbraw/zinc/44/78/65/824447865.db2.gz LXKHKKFPPHPLKH-UHFFFAOYSA-N 2 2 268.405 -0.212 20 0 CBADLP COCOCCC[NH+]1CC(N2CC[NH+](C)CC2)C1 ZINC001209032279 824461725 /nfs/dbraw/zinc/46/17/25/824461725.db2.gz SUOZIQKRSOGFLV-UHFFFAOYSA-N 2 2 257.378 -0.071 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001209838381 824476131 /nfs/dbraw/zinc/47/61/31/824476131.db2.gz XNSDDIIYFVOBRL-WDEREUQCSA-N 2 2 293.371 -0.333 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001217006100 824550008 /nfs/dbraw/zinc/55/00/08/824550008.db2.gz VETMDULAIMOUJZ-GRYCIOLGSA-N 2 2 293.371 -0.546 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](OC[C@@H]2C[C@@H]3CC[NH2+]C[C@@H]3O2)C[NH2+]1 ZINC001217823192 824561983 /nfs/dbraw/zinc/56/19/83/824561983.db2.gz NJIGLQLEUSPCKP-PPCPHDFISA-N 2 2 284.356 -0.327 20 0 CBADLP Cc1cc(C[C@@H](C)NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)on1 ZINC001218500663 824570646 /nfs/dbraw/zinc/57/06/46/824570646.db2.gz LOMVHYOPOVKANQ-ZOFUNIGCSA-N 2 2 252.318 -0.281 20 0 CBADLP Cn1cnc(NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)c2ncnc1-2 ZINC001218496399 824571061 /nfs/dbraw/zinc/57/10/61/824571061.db2.gz WDSBKIBTTSNPST-MRVPVSSYSA-N 2 2 286.299 -0.454 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1n[nH]cc1Br ZINC001218509941 824574854 /nfs/dbraw/zinc/57/48/54/824574854.db2.gz ZUNZIJUJKFCHLE-NJGYIYPDSA-N 2 2 274.122 -0.343 20 0 CBADLP CCOC(=O)c1c(C)[nH]nc1NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001218513008 824579388 /nfs/dbraw/zinc/57/93/88/824579388.db2.gz WHHMKWTWZJNMKQ-SFYZADRCSA-N 2 2 281.316 -0.477 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1n[nH]c(-c2ccncc2)n1 ZINC001218521899 824581167 /nfs/dbraw/zinc/58/11/67/824581167.db2.gz BZVIVBOVBOVXMR-IUCAKERBSA-N 2 2 273.300 -0.648 20 0 CBADLP CSc1nnc(NC(=O)[C@@H]([NH3+])CC[NH3+])c(SC)n1 ZINC001218525396 824582778 /nfs/dbraw/zinc/58/27/78/824582778.db2.gz ZEASXHRHYBBICL-YFKPBYRVSA-N 2 2 288.402 -0.070 20 0 CBADLP Cn1nc2c(c1NC(=O)C1([NH3+])CC[NH2+]CC1)CCC2 ZINC001218528905 824584536 /nfs/dbraw/zinc/58/45/36/824584536.db2.gz XQMIMDNTMDDFLR-UHFFFAOYSA-N 2 2 263.345 -0.072 20 0 CBADLP [NH3+][C@@H]1CCc2nc(NC(=O)[C@@H]3COC[NH2+]3)sc2C1 ZINC001218532703 824585653 /nfs/dbraw/zinc/58/56/53/824585653.db2.gz IZFSWWLAOLYRSK-SVRRBLITSA-N 2 2 268.342 -0.157 20 0 CBADLP [NH3+][C@H]1CCc2nc(NC(=O)C3([NH3+])CC[NH2+]CC3)sc2C1 ZINC001218532716 824585758 /nfs/dbraw/zinc/58/57/58/824585758.db2.gz JIVAHFMVGKSTCE-QMMMGPOBSA-N 3 2 295.412 -0.022 20 0 CBADLP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)Nc1ncccc1O ZINC001218539599 824586679 /nfs/dbraw/zinc/58/66/79/824586679.db2.gz MFGYCZKZPCHEBP-SNVBAGLBSA-N 2 2 279.344 -0.524 20 0 CBADLP CCOC(=O)c1n[nH]cc1NC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001218550265 824588566 /nfs/dbraw/zinc/58/85/66/824588566.db2.gz SALFELNMPGVWKC-UHFFFAOYSA-N 2 2 295.343 -0.134 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1[nH]nc2nccnc21 ZINC001218567958 824595255 /nfs/dbraw/zinc/59/52/55/824595255.db2.gz CNMOJNUQQJSGRR-QMMMGPOBSA-N 2 2 286.299 -0.454 20 0 CBADLP COc1cc(NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)no1 ZINC001218573517 824595719 /nfs/dbraw/zinc/59/57/19/824595719.db2.gz IGUAXQCPCPAPTE-SSDOTTSWSA-N 2 2 251.246 -0.085 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cncc(C(F)(F)F)n1 ZINC001218593569 824600709 /nfs/dbraw/zinc/60/07/09/824600709.db2.gz ZHOIWIZINMDRPO-WDSKDSINSA-N 2 2 275.234 -0.019 20 0 CBADLP COC(=O)c1c[nH]c2ncc(NC(=O)[C@@H]([NH3+])CC[NH3+])cc12 ZINC001218613810 824603765 /nfs/dbraw/zinc/60/37/65/824603765.db2.gz SDICXEVFEGIUKY-JTQLQIEISA-N 2 2 291.311 -0.036 20 0 CBADLP COC(=O)c1cc(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])cn1C ZINC001218632336 824610242 /nfs/dbraw/zinc/61/02/42/824610242.db2.gz TTXCMJFZXOGHIG-IUCAKERBSA-N 2 2 266.301 -0.703 20 0 CBADLP COC(=O)c1onc(C)c1NC(=O)[C@@H]([NH3+])CC[NH3+] ZINC001218636497 824611249 /nfs/dbraw/zinc/61/12/49/824611249.db2.gz XLEUYZPFFSNBKP-LURJTMIESA-N 2 2 256.262 -0.616 20 0 CBADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cnn(C2C[NH2+]C2)c1 ZINC001218640164 824612937 /nfs/dbraw/zinc/61/29/37/824612937.db2.gz KFAIHEJSJZRVJU-NSHDSACASA-N 3 2 275.316 -0.741 20 0 CBADLP [NH3+][C@H]1CC[C@@H]1C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001218668777 824620065 /nfs/dbraw/zinc/62/00/65/824620065.db2.gz HWQXNGDTISQWER-STQMWFEESA-N 2 2 293.371 -0.109 20 0 CBADLP Nc1cc[nH]c(=O)c1NC(=O)[C@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001218678191 824621008 /nfs/dbraw/zinc/62/10/08/824621008.db2.gz GLISLLRQBZFVAK-SNVBAGLBSA-N 2 2 294.359 -0.942 20 0 CBADLP Nc1cc[nH]c(=O)c1NC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001218679815 824621061 /nfs/dbraw/zinc/62/10/61/824621061.db2.gz YCUBJCSGVHYHKG-UHFFFAOYSA-N 2 2 265.317 -0.351 20 0 CBADLP Nc1cc[nH]c(=O)c1NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001218678236 824621516 /nfs/dbraw/zinc/62/15/16/824621516.db2.gz GZGNCPVGNBFLQH-QMMMGPOBSA-N 2 2 262.273 -0.399 20 0 CBADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1 ZINC001218728044 824628851 /nfs/dbraw/zinc/62/88/51/824628851.db2.gz RBMIVGNFGAGFKP-MNOVXSKESA-N 3 2 279.344 -0.563 20 0 CBADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1ccc(N2CCC([NH3+])CC2)nc1 ZINC001218724866 824629505 /nfs/dbraw/zinc/62/95/05/824629505.db2.gz NNMRKNSOBPAYML-LBPRGKRZSA-N 3 2 292.387 -0.376 20 0 CBADLP CCN(C)c1ncc(NC(=O)C2([NH3+])CC[NH2+]CC2)cn1 ZINC001218740365 824630186 /nfs/dbraw/zinc/63/01/86/824630186.db2.gz GYGYSLIZDUDGHH-UHFFFAOYSA-N 2 2 278.360 -0.048 20 0 CBADLP CCN=c1ccc(N)cn1C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001218740253 824630519 /nfs/dbraw/zinc/63/05/19/824630519.db2.gz XABRQBGEPRGDQQ-NSHDSACASA-N 2 2 274.328 -0.076 20 0 CBADLP Cc1cnn(CCO)c1NC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001218749575 824633107 /nfs/dbraw/zinc/63/31/07/824633107.db2.gz FXEPORFYGDKJRZ-UHFFFAOYSA-N 2 2 267.333 -0.797 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cncc(N2CCOCC2)c1 ZINC001218746223 824633593 /nfs/dbraw/zinc/63/35/93/824633593.db2.gz CQPYXHAIBODCJR-STQMWFEESA-N 2 2 291.355 -0.597 20 0 CBADLP CNC(=O)c1cccnc1NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001218765306 824635884 /nfs/dbraw/zinc/63/58/84/824635884.db2.gz WLFABQLGEZJITD-SNVBAGLBSA-N 2 2 288.311 -0.327 20 0 CBADLP CNC(=O)c1cccnc1NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001218765305 824636606 /nfs/dbraw/zinc/63/66/06/824636606.db2.gz WLFABQLGEZJITD-JTQLQIEISA-N 2 2 288.311 -0.327 20 0 CBADLP [NH3+]C1(C(=O)Nc2cnc3nccn3c2)CC[NH2+]CC1 ZINC001218783940 824637471 /nfs/dbraw/zinc/63/74/71/824637471.db2.gz HIKIPUQWUHHCDL-UHFFFAOYSA-N 2 2 260.301 -0.251 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1cnc2nccn2c1 ZINC001218784566 824637994 /nfs/dbraw/zinc/63/79/94/824637994.db2.gz LVSBAYBCKZYKPN-NSHDSACASA-N 2 2 285.311 -0.029 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2cnn3c2OCCC3)C1 ZINC001218794540 824639826 /nfs/dbraw/zinc/63/98/26/824639826.db2.gz QGNUXFNAWIAWGJ-SFYZADRCSA-N 2 2 251.290 -0.707 20 0 CBADLP Cc1ccc2c(c1NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)CNC2=O ZINC001218819025 824641402 /nfs/dbraw/zinc/64/14/02/824641402.db2.gz HCZQDKLFSMOEQG-KCJUWKMLSA-N 2 2 274.324 -0.134 20 0 CBADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1ccccc1-c1nn[nH]n1 ZINC001218855059 824643569 /nfs/dbraw/zinc/64/35/69/824643569.db2.gz DKBHYJSTKBNSAV-QMMMGPOBSA-N 2 2 261.289 -0.519 20 0 CBADLP Cc1ccc(C(N)=O)cc1NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001218913338 824647233 /nfs/dbraw/zinc/64/72/33/824647233.db2.gz KXQKJQXUBIWJGM-UWVGGRQHSA-N 2 2 262.313 -0.421 20 0 CBADLP Nc1ccc(COCCO)c(NC(=O)[C@@H]([NH3+])CC[NH3+])c1 ZINC001218919125 824647265 /nfs/dbraw/zinc/64/72/65/824647265.db2.gz YQVMGNHLQZQYPL-NSHDSACASA-N 2 2 282.344 -0.608 20 0 CBADLP Nc1ccc(COCCO)c(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)c1 ZINC001218919127 824647664 /nfs/dbraw/zinc/64/76/64/824647664.db2.gz YTOYNVFRVZOUOV-YPMHNXCESA-N 2 2 294.355 -0.595 20 0 CBADLP Nc1ccc(NC(=O)[C@@H]([NH3+])CC[NH3+])c(CCO)c1 ZINC001218919693 824648355 /nfs/dbraw/zinc/64/83/55/824648355.db2.gz QQQSGFSYSMDNDJ-JTQLQIEISA-N 2 2 252.318 -0.582 20 0 CBADLP NC(=O)Cc1cccc(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)c1 ZINC001218954721 824649344 /nfs/dbraw/zinc/64/93/44/824649344.db2.gz QEHHIJPXGUHDAZ-KOLCDFICSA-N 2 2 262.313 -0.658 20 0 CBADLP NC(=O)Cc1cccc(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])c1 ZINC001218954287 824650172 /nfs/dbraw/zinc/65/01/72/824650172.db2.gz JCFHRNYUDVLFEN-QWRGUYRKSA-N 2 2 262.313 -0.800 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2cccc3c2CC(=O)NC3)C1 ZINC001219369470 824698529 /nfs/dbraw/zinc/69/85/29/824698529.db2.gz GJIPCQUTXRKGJG-SKDRFNHKSA-N 2 2 274.324 -0.513 20 0 CBADLP CN1Cc2cccc(NC(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)c2C1=O ZINC001219365056 824698579 /nfs/dbraw/zinc/69/85/79/824698579.db2.gz SQGIELHLLJNBES-KOLCDFICSA-N 2 2 274.324 -0.100 20 0 CBADLP [NH3+]C1(C(=O)Nc2cccc3c2CC(=O)NC3)CC[NH2+]CC1 ZINC001219369992 824700328 /nfs/dbraw/zinc/70/03/28/824700328.db2.gz YQPUEUAVUBNQCW-UHFFFAOYSA-N 2 2 288.351 -0.122 20 0 CBADLP CCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@@H](O)C1 ZINC001219411683 824704134 /nfs/dbraw/zinc/70/41/34/824704134.db2.gz SWFIEEDLBBNMLA-HZSPNIEDSA-N 2 2 299.415 -0.332 20 0 CBADLP CCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@@H](O)C1 ZINC001219411683 824704144 /nfs/dbraw/zinc/70/41/44/824704144.db2.gz SWFIEEDLBBNMLA-HZSPNIEDSA-N 2 2 299.415 -0.332 20 0 CBADLP CCCCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)[C@@H](O)C1 ZINC001219411683 824704155 /nfs/dbraw/zinc/70/41/55/824704155.db2.gz SWFIEEDLBBNMLA-HZSPNIEDSA-N 2 2 299.415 -0.332 20 0 CBADLP CCCCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)[C@@H](O)C1 ZINC001219411683 824704161 /nfs/dbraw/zinc/70/41/61/824704161.db2.gz SWFIEEDLBBNMLA-HZSPNIEDSA-N 2 2 299.415 -0.332 20 0 CBADLP CO[C@H](C)C[N@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001219543706 824725288 /nfs/dbraw/zinc/72/52/88/824725288.db2.gz QLFITPVUESCSED-UTUOFQBUSA-N 2 2 296.371 -0.462 20 0 CBADLP CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001219543706 824725294 /nfs/dbraw/zinc/72/52/94/824725294.db2.gz QLFITPVUESCSED-UTUOFQBUSA-N 2 2 296.371 -0.462 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cccc2c1[C@H]1C[NH2+]C[C@@H]1O2 ZINC001219540380 824725437 /nfs/dbraw/zinc/72/54/37/824725437.db2.gz GDABLNALCRCVPM-YVNDNENWSA-N 3 2 288.351 -0.380 20 0 CBADLP CC[NH+](CC)CCNC(=O)[C@@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001219555594 824728191 /nfs/dbraw/zinc/72/81/91/824728191.db2.gz HTJWSCJHAVBJER-ZDUSSCGKSA-N 3 2 285.436 -0.805 20 0 CBADLP C[C@@H](O)[C@@H](CO)NC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001219558867 824729099 /nfs/dbraw/zinc/72/90/99/824729099.db2.gz YEISMENNCBZYMP-JFUSQASVSA-N 2 2 267.329 -0.883 20 0 CBADLP CC(C)OCCNC(=O)[C@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001219559563 824729435 /nfs/dbraw/zinc/72/94/35/824729435.db2.gz BUUBHCVCCQKELB-GFCCVEGCSA-N 2 2 272.393 -0.722 20 0 CBADLP [NH3+]CCCC[C@H]([NH3+])CC(=O)NCCn1cc[nH+]c1 ZINC001219563661 824730562 /nfs/dbraw/zinc/73/05/62/824730562.db2.gz GMBVVXOKCIALKF-NSHDSACASA-N 3 2 253.350 -0.154 20 0 CBADLP Cc1cccnc1CNC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001219564083 824730580 /nfs/dbraw/zinc/73/05/80/824730580.db2.gz QTGVEVOQSKOYLJ-GMXVVIOVSA-N 2 2 260.341 -0.044 20 0 CBADLP C[S@](=O)CC[C@H]([NH3+])C(=O)NCCn1cc[nH+]c1 ZINC001219564276 824733286 /nfs/dbraw/zinc/73/32/86/824733286.db2.gz WIMVZTZTNLQWBB-XYZCENFISA-N 2 2 258.347 -0.905 20 0 CBADLP C[C@H]1CC[C@H](NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)C[NH2+]1 ZINC001219579651 824734119 /nfs/dbraw/zinc/73/41/19/824734119.db2.gz CGFOEJUQSLQBAH-ATZCPNFKSA-N 3 2 251.334 -0.464 20 0 CBADLP Cc1ccnc(CNC(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)n1 ZINC001219600382 824740552 /nfs/dbraw/zinc/74/05/52/824740552.db2.gz RQIMBZAAMMYTMU-GWCFXTLKSA-N 2 2 261.329 -0.647 20 0 CBADLP Cc1ccnc(CNC(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)n1 ZINC001219600383 824740678 /nfs/dbraw/zinc/74/06/78/824740678.db2.gz RQIMBZAAMMYTMU-GXFFZTMASA-N 2 2 261.329 -0.647 20 0 CBADLP Cc1cc(CNC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)no1 ZINC001219603660 824849475 /nfs/dbraw/zinc/84/94/75/824849475.db2.gz CJIYQAZILOJCKT-FOGDFJRCSA-N 2 2 250.302 -0.179 20 0 CBADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)NC[C@H](O)c1ccco1 ZINC001219604744 824851059 /nfs/dbraw/zinc/85/10/59/824851059.db2.gz YIYMCIJXTGDUCW-NEPJUHHUSA-N 2 2 296.371 -0.820 20 0 CBADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219608090 824852136 /nfs/dbraw/zinc/85/21/36/824852136.db2.gz OOMGWLOMNBQYDF-WCBMZHEXSA-N 3 2 291.277 -0.310 20 0 CBADLP Cc1nocc1CNC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001219608102 824853099 /nfs/dbraw/zinc/85/30/99/824853099.db2.gz PDOCGGTYODLMDP-FOGDFJRCSA-N 2 2 250.302 -0.179 20 0 CBADLP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@@H]1C[NH2+]CC(F)(F)C1 ZINC001219618097 824859589 /nfs/dbraw/zinc/85/95/89/824859589.db2.gz UMGXOBXFQYTDIF-ATZCPNFKSA-N 2 2 295.305 -0.590 20 0 CBADLP Cn1cnc(CCNC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)c1 ZINC001219634532 824867535 /nfs/dbraw/zinc/86/75/35/824867535.db2.gz ZFDKJDQOBWSMJM-ZMLRMANQSA-N 2 2 263.345 -0.971 20 0 CBADLP C[C@H]1C[NH2+]C[C@H](CNC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)C1 ZINC001219638888 824868821 /nfs/dbraw/zinc/86/88/21/824868821.db2.gz RIPOGFZQGXMQEV-FOGDFJRCSA-N 3 2 265.361 -0.359 20 0 CBADLP COC(=O)[C@@H]([NH3+])CC(=O)NC[C@H]1C[NH2+]C[C@@H](C)C1 ZINC001219641850 824869680 /nfs/dbraw/zinc/86/96/80/824869680.db2.gz MBXJPTLFMFKZJL-AEJSXWLSSA-N 2 2 257.334 -0.761 20 0 CBADLP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)C1 ZINC001219642038 824870302 /nfs/dbraw/zinc/87/03/02/824870302.db2.gz OKUYFGHHKFTTLZ-FPYNETTCSA-N 3 2 266.389 -0.702 20 0 CBADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 ZINC001219671506 824876044 /nfs/dbraw/zinc/87/60/44/824876044.db2.gz IMTAMXNRDWGGKI-NEPJUHHUSA-N 2 2 297.380 -0.438 20 0 CBADLP NC(=O)C1(NC(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)CC1 ZINC001219682162 824878364 /nfs/dbraw/zinc/87/83/64/824878364.db2.gz IIEVVGLNTVKQCA-SNVBAGLBSA-N 2 2 262.313 -0.607 20 0 CBADLP Cc1cc(C)c(CNC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])c(=O)[nH]1 ZINC001219691683 824879903 /nfs/dbraw/zinc/87/99/03/824879903.db2.gz UXKCRAPZMNHWKR-QWRGUYRKSA-N 2 2 264.329 -0.433 20 0 CBADLP Cc1ccc2c(c1)[C@H](NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)C(=O)N2 ZINC001219687380 824880390 /nfs/dbraw/zinc/88/03/90/824880390.db2.gz NMVUWNGQOBZPQX-ZHAHWJHGSA-N 2 2 274.324 -0.206 20 0 CBADLP C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@@H](F)CC[NH2+]2)C1 ZINC001219694289 824881349 /nfs/dbraw/zinc/88/13/49/824881349.db2.gz IKIPWTBXUVYGMW-AXFHLTTASA-N 2 2 259.325 -0.477 20 0 CBADLP C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@@H](F)CC[NH2+]2)C1 ZINC001219694289 824881357 /nfs/dbraw/zinc/88/13/57/824881357.db2.gz IKIPWTBXUVYGMW-AXFHLTTASA-N 2 2 259.325 -0.477 20 0 CBADLP C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C1 ZINC001219695774 824881393 /nfs/dbraw/zinc/88/13/93/824881393.db2.gz YAVXKSMSMADVPK-QWHCGFSZSA-N 3 2 296.415 -0.693 20 0 CBADLP C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C1 ZINC001219695774 824881400 /nfs/dbraw/zinc/88/14/00/824881400.db2.gz YAVXKSMSMADVPK-QWHCGFSZSA-N 3 2 296.415 -0.693 20 0 CBADLP C[C@@H](OC(C)(C)C)[C@@H]([NH3+])C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC001219695247 824881898 /nfs/dbraw/zinc/88/18/98/824881898.db2.gz SELBILOTCDNBHM-GRYCIOLGSA-N 2 2 287.404 -0.036 20 0 CBADLP C[C@@H](OC(C)(C)C)[C@@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC001219695247 824881901 /nfs/dbraw/zinc/88/19/01/824881901.db2.gz SELBILOTCDNBHM-GRYCIOLGSA-N 2 2 287.404 -0.036 20 0 CBADLP C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]([NH3+])Cc2cccc(O)c2)C1 ZINC001219695524 824882057 /nfs/dbraw/zinc/88/20/57/824882057.db2.gz VWHLQBUVGHSGET-KBPBESRZSA-N 2 2 293.367 -0.291 20 0 CBADLP C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]([NH3+])Cc2cccc(O)c2)C1 ZINC001219695524 824882065 /nfs/dbraw/zinc/88/20/65/824882065.db2.gz VWHLQBUVGHSGET-KBPBESRZSA-N 2 2 293.367 -0.291 20 0 CBADLP Cc1ccn2c(CNC(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)cnc2c1 ZINC001219709997 824885344 /nfs/dbraw/zinc/88/53/44/824885344.db2.gz WKKPGSLZOKWSRL-PWSUYJOCSA-N 2 2 273.340 -0.052 20 0 CBADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N[C@H]2C[NH2+]Cc3ccsc32)C1 ZINC001219827092 824899549 /nfs/dbraw/zinc/89/95/49/824899549.db2.gz ZFMSONJYLCCFJO-GUBZILKMSA-N 3 2 266.370 -0.302 20 0 CBADLP [NH3+][C@@H]1CN[C@H](C(=O)N[C@H]2C[NH2+]Cc3ccsc32)C1 ZINC001219827092 824899555 /nfs/dbraw/zinc/89/95/55/824899555.db2.gz ZFMSONJYLCCFJO-GUBZILKMSA-N 2 2 266.370 -0.302 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)C1 ZINC001219865495 824904379 /nfs/dbraw/zinc/90/43/79/824904379.db2.gz QMUJNXSVECJIJL-LPTSXCQYSA-N 2 2 261.325 -0.550 20 0 CBADLP CCOC(=O)CC(=N)NC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001219882867 824909614 /nfs/dbraw/zinc/90/96/14/824909614.db2.gz PLFQGOVBYHUHHE-VIFPVBQESA-N 2 2 281.316 -0.663 20 0 CBADLP CC(=O)N1C[C@@H]2C[C@]2(NC(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)C1 ZINC001219889791 824910590 /nfs/dbraw/zinc/91/05/90/824910590.db2.gz BIQNPTICYQGRQU-JKOKRWQUSA-N 2 2 291.355 -0.973 20 0 CBADLP Nc1ccccc1CNC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001219925744 824916740 /nfs/dbraw/zinc/91/67/40/824916740.db2.gz UTWBPWKWQHOKLM-WCFLWFBJSA-N 2 2 260.341 -0.165 20 0 CBADLP O=C(N[C@@H]1C=CS(=O)(=O)C1)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001219945249 824918838 /nfs/dbraw/zinc/91/88/38/824918838.db2.gz FQHRFXBLEMRYTN-GHMZBOCLSA-N 2 2 299.396 -0.713 20 0 CBADLP CC(C)(C)C(=O)CNC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001219943343 824919374 /nfs/dbraw/zinc/91/93/74/824919374.db2.gz FAFXBQLNEYNDEH-TVQRCGJNSA-N 2 2 253.346 -0.331 20 0 CBADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)N[C@@H]2C=CS(=O)(=O)C2)cc1 ZINC001219945545 824920231 /nfs/dbraw/zinc/92/02/31/824920231.db2.gz MPGRFMYFMJNUFF-NEPJUHHUSA-N 2 2 295.364 -0.314 20 0 CBADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)NC[C@H]2CCC(=O)N2)cc1 ZINC001219959586 824922487 /nfs/dbraw/zinc/92/24/87/824922487.db2.gz ZMUAYFHNJPRGRK-NEPJUHHUSA-N 2 2 276.340 -0.347 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCc2ccc3nonc3c2)C1 ZINC001219965611 824924664 /nfs/dbraw/zinc/92/46/64/824924664.db2.gz UNFFNJLDOAKKTP-KCJUWKMLSA-N 2 2 261.285 -0.472 20 0 CBADLP O=C(NC[C@@H]1CCCCO1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001219979033 824929713 /nfs/dbraw/zinc/92/97/13/824929713.db2.gz YMVJKULRPRDMEY-MDZLAQPJSA-N 2 2 253.346 -0.377 20 0 CBADLP C[N@@H+]1CCC[C@@H](CCNC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])C1 ZINC001219980701 824930116 /nfs/dbraw/zinc/93/01/16/824930116.db2.gz NHGAJWMLTHXIJR-SRVKXCTJSA-N 3 2 254.378 -0.619 20 0 CBADLP C[N@H+]1CCC[C@@H](CCNC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])C1 ZINC001219980701 824930121 /nfs/dbraw/zinc/93/01/21/824930121.db2.gz NHGAJWMLTHXIJR-SRVKXCTJSA-N 3 2 254.378 -0.619 20 0 CBADLP CN1C[C@H](NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)CCC1=O ZINC001220005028 824930772 /nfs/dbraw/zinc/93/07/72/824930772.db2.gz NJZAVNYKTTXRQV-PSASIEDQSA-N 2 2 265.317 -0.984 20 0 CBADLP C[NH+]1CC(NC(=O)[C@@H]2CCCN([C@@H]3CC[NH2+]C3)C2)C1 ZINC001220013407 824934228 /nfs/dbraw/zinc/93/42/28/824934228.db2.gz USVQRVGTKDYYQQ-DGCLKSJQSA-N 2 2 266.389 -0.510 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NCc1cccnn1 ZINC001220018766 824934971 /nfs/dbraw/zinc/93/49/71/824934971.db2.gz SAVHVWAWNWZVIR-NSHDSACASA-N 2 2 260.301 -0.604 20 0 CBADLP O=C(NCc1ccncc1F)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220036804 824941174 /nfs/dbraw/zinc/94/11/74/824941174.db2.gz WKEBXZCFAVYRLJ-MFKMUULPSA-N 2 2 264.304 -0.212 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCc2n[nH]c3ccccc23)C1 ZINC001220047129 824943200 /nfs/dbraw/zinc/94/32/00/824943200.db2.gz RKJYSQIIOOEANZ-KCJUWKMLSA-N 2 2 259.313 -0.132 20 0 CBADLP COC(=O)C1(NC(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)CCCC1 ZINC001220047712 824943680 /nfs/dbraw/zinc/94/36/80/824943680.db2.gz CZWSTLFXDVYNMD-IINYFYTJSA-N 2 2 281.356 -0.460 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1C[N@H+](CC2CC2)C[C@@H]1O ZINC001220053529 824944819 /nfs/dbraw/zinc/94/48/19/824944819.db2.gz RZSVMOGQIALMCK-OLZOCXBDSA-N 2 2 292.383 -0.076 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1O ZINC001220053529 824944827 /nfs/dbraw/zinc/94/48/27/824944827.db2.gz RZSVMOGQIALMCK-OLZOCXBDSA-N 2 2 292.383 -0.076 20 0 CBADLP C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001220062021 824947266 /nfs/dbraw/zinc/94/72/66/824947266.db2.gz JJSNVTCNWXZIEP-QWRGUYRKSA-N 2 2 295.391 -0.550 20 0 CBADLP C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001220062021 824947270 /nfs/dbraw/zinc/94/72/70/824947270.db2.gz JJSNVTCNWXZIEP-QWRGUYRKSA-N 2 2 295.391 -0.550 20 0 CBADLP CCOC(=O)C(F)(F)CNC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220097428 824954979 /nfs/dbraw/zinc/95/49/79/824954979.db2.gz YDBYJIDBYLQCDQ-QMMMGPOBSA-N 2 2 290.270 -0.406 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NC(=N)SCC[NH3+] ZINC001220106441 824957034 /nfs/dbraw/zinc/95/70/34/824957034.db2.gz NDVOZYSMNCYJNN-QMMMGPOBSA-N 3 2 270.362 -0.967 20 0 CBADLP O=C(NC[C@H](O)c1ccc(O)cc1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220112768 824958214 /nfs/dbraw/zinc/95/82/14/824958214.db2.gz AEMRKMKIBPZBLH-OSAQELSMSA-N 2 2 291.351 -0.507 20 0 CBADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)NCCOC(F)(F)F ZINC001220138718 824964752 /nfs/dbraw/zinc/96/47/52/824964752.db2.gz DQUMVVLEKRQNIH-VIFPVBQESA-N 2 2 298.309 -0.611 20 0 CBADLP O=C(NCCOC(F)(F)F)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220138680 824965391 /nfs/dbraw/zinc/96/53/91/824965391.db2.gz CMVGXZVIXKZTTN-CBAPKCEASA-N 2 2 267.251 -0.410 20 0 CBADLP O=C(NCCOC(F)(F)F)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220138681 824965901 /nfs/dbraw/zinc/96/59/01/824965901.db2.gz CMVGXZVIXKZTTN-IONNQARKSA-N 2 2 267.251 -0.410 20 0 CBADLP O=C(NCc1cc[nH]c(=O)c1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220148416 824968894 /nfs/dbraw/zinc/96/88/94/824968894.db2.gz ZYFZBPIBDWVJAZ-MFKMUULPSA-N 2 2 262.313 -0.645 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N[C@H]1C[C@@](C)(O)C1 ZINC001220150176 824969941 /nfs/dbraw/zinc/96/99/41/824969941.db2.gz SQYCXVFROVUDMG-PTOFAABTSA-N 2 2 252.318 -0.681 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001220163640 824974403 /nfs/dbraw/zinc/97/44/03/824974403.db2.gz SKJCOAOHZFSJSD-MNXVOIDGSA-N 3 2 266.389 -0.428 20 0 CBADLP CC(C)[NH+]1CC(NC(=O)[C@]23C[NH2+]C[C@@H]2CCN3)C1 ZINC001220159915 824974859 /nfs/dbraw/zinc/97/48/59/824974859.db2.gz SHNYNXQYDUPJCG-GWCFXTLKSA-N 2 2 252.362 -0.853 20 0 CBADLP CCC1(CNC(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)COC1 ZINC001220170295 824976573 /nfs/dbraw/zinc/97/65/73/824976573.db2.gz GWHCJOUVOKZHLB-NSHDSACASA-N 2 2 266.345 -0.167 20 0 CBADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)[C@H]1[NH2+]CC[C@H]1O ZINC001220189270 824983591 /nfs/dbraw/zinc/98/35/91/824983591.db2.gz NLRIHOPLONOQJB-YIZRAAEISA-N 2 2 263.288 -0.930 20 0 CBADLP CC1(C)C[C@H](CNC(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)O1 ZINC001220200685 824985953 /nfs/dbraw/zinc/98/59/53/824985953.db2.gz RFAYJYIOPDSQNJ-GIPNMCIBSA-N 2 2 253.346 -0.378 20 0 CBADLP CC1(C)C[C@H](CNC(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)O1 ZINC001220200686 824986432 /nfs/dbraw/zinc/98/64/32/824986432.db2.gz RFAYJYIOPDSQNJ-OPQQBVKSSA-N 2 2 253.346 -0.378 20 0 CBADLP CCOC(CCNC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])OCC ZINC001220230597 824990609 /nfs/dbraw/zinc/99/06/09/824990609.db2.gz MEDAZEMCUYMJEA-UWVGGRQHSA-N 2 2 259.350 -0.562 20 0 CBADLP CCOC(CCNC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2)OCC ZINC001220230210 824990939 /nfs/dbraw/zinc/99/09/39/824990939.db2.gz DUTCJVRJCCJTFC-FZMZJTMJSA-N 2 2 285.388 -0.157 20 0 CBADLP O=C(NCCc1cnccn1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220242989 824992982 /nfs/dbraw/zinc/99/29/82/824992982.db2.gz MLKKWVPTEZIFJL-MFKMUULPSA-N 2 2 261.329 -0.913 20 0 CBADLP C[NH+](C)CC(C)(C)CNC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220254081 824995883 /nfs/dbraw/zinc/99/58/83/824995883.db2.gz JDMWXCKOWSLOEV-LLVKDONJSA-N 3 2 267.377 -0.017 20 0 CBADLP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)NCc1n[nH]c(=O)[nH]1 ZINC001220251853 824996164 /nfs/dbraw/zinc/99/61/64/824996164.db2.gz HQVJGFKOAODMSB-VIFPVBQESA-N 2 2 284.364 -0.378 20 0 CBADLP C[NH+](C)CC(C)(C)CNC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220254713 824996662 /nfs/dbraw/zinc/99/66/62/824996662.db2.gz VBPDPHKJUAZLQT-SMDDNHRTSA-N 3 2 268.405 -0.358 20 0 CBADLP C[NH+](C)CC(C)(C)CNC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220253811 824997005 /nfs/dbraw/zinc/99/70/05/824997005.db2.gz FFYZANBCPCNDBR-SDDRHHMPSA-N 3 2 268.405 -0.360 20 0 CBADLP [NH3+]C1(C(=O)N[C@@H]2CCc3n[nH]cc3C2)CC[NH2+]CC1 ZINC001220261208 824997664 /nfs/dbraw/zinc/99/76/64/824997664.db2.gz URVQPYCANNQGEE-SNVBAGLBSA-N 2 2 263.345 -0.536 20 0 CBADLP Cc1[nH+]c[nH]c1CSCCNC(=O)[C@@H]1C[NH2+]C[C@@H]1O ZINC001220256936 824997909 /nfs/dbraw/zinc/99/79/09/824997909.db2.gz JJTLAQYCOYDCJF-KOLCDFICSA-N 2 2 284.385 -0.352 20 0 CBADLP Cc1[nH+]c[nH]c1CSCCNC(=O)[C@H]1[NH2+]CC[C@H]1O ZINC001220258501 824998569 /nfs/dbraw/zinc/99/85/69/824998569.db2.gz LFGFAZBVPFWHPY-MNOVXSKESA-N 2 2 284.385 -0.210 20 0 CBADLP CC1(C)OCC(NC(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)CO1 ZINC001220270696 824999962 /nfs/dbraw/zinc/99/99/62/824999962.db2.gz CNIFISIDXOCDJX-RNCFNFMXSA-N 2 2 269.345 -0.794 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NCCC(=O)Nc1nccs1 ZINC001220272461 825000574 /nfs/dbraw/zinc/00/05/74/825000574.db2.gz ACSGOZVFWSKWTG-YUMQZZPRSA-N 2 2 283.357 -0.865 20 0 CBADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@@H]1O ZINC001220273914 825001287 /nfs/dbraw/zinc/00/12/87/825001287.db2.gz WWWPFQBADAEXMN-YYMQPOIQSA-N 2 2 275.780 -0.148 20 0 CBADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@@H]1O ZINC001220273914 825001292 /nfs/dbraw/zinc/00/12/92/825001292.db2.gz WWWPFQBADAEXMN-YYMQPOIQSA-N 2 2 275.780 -0.148 20 0 CBADLP Cn1cc(CCNC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)cn1 ZINC001220277185 825002471 /nfs/dbraw/zinc/00/24/71/825002471.db2.gz ZQLXNUJFWANPRN-SDDRHHMPSA-N 2 2 263.345 -0.971 20 0 CBADLP Cn1cc(CCNC(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)cn1 ZINC001220276791 825003568 /nfs/dbraw/zinc/00/35/68/825003568.db2.gz QWCCSVZVUFHYSS-WCQYABFASA-N 2 2 263.345 -0.970 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCCc2cn3ccccc3n2)C1 ZINC001220278060 825005971 /nfs/dbraw/zinc/00/59/71/825005971.db2.gz BEIWPKBEFDUTPC-PWSUYJOCSA-N 2 2 273.340 -0.318 20 0 CBADLP O=C(C[C@H]1CCC[NH2+]C1)N[C@@H](CO)Cc1c[nH]c[nH+]1 ZINC001220290648 825007207 /nfs/dbraw/zinc/00/72/07/825007207.db2.gz BCKWAZKBIWVNSP-ZYHUDNBSSA-N 2 2 266.345 -0.181 20 0 CBADLP O=C(C[C@H]1CCC[NH2+]C1)N[C@@H](CO)Cc1c[nH+]c[nH]1 ZINC001220290648 825007220 /nfs/dbraw/zinc/00/72/20/825007220.db2.gz BCKWAZKBIWVNSP-ZYHUDNBSSA-N 2 2 266.345 -0.181 20 0 CBADLP [NH3+]CCCC[C@H]([NH3+])CC(=O)N[C@@H](CO)Cc1c[nH]c[nH+]1 ZINC001220291431 825007353 /nfs/dbraw/zinc/00/73/53/825007353.db2.gz UCRZBIBMEZMSEC-CMPLNLGQSA-N 3 2 283.376 -0.724 20 0 CBADLP [NH3+]CCCC[C@H]([NH3+])CC(=O)N[C@@H](CO)Cc1c[nH+]c[nH]1 ZINC001220291431 825007359 /nfs/dbraw/zinc/00/73/59/825007359.db2.gz UCRZBIBMEZMSEC-CMPLNLGQSA-N 3 2 283.376 -0.724 20 0 CBADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)NCC2OCCO2)cc1 ZINC001220288712 825007862 /nfs/dbraw/zinc/00/78/62/825007862.db2.gz GXZXAMYBXCQYEW-NSHDSACASA-N 2 2 265.313 -0.252 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NCCNC(=O)Nc1ccccc1 ZINC001220341499 825018178 /nfs/dbraw/zinc/01/81/78/825018178.db2.gz ZAZVLQWWGSXICH-RYUDHWBXSA-N 2 2 291.355 -0.529 20 0 CBADLP C[C@H](NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1)c1cnccn1 ZINC001220369476 825021473 /nfs/dbraw/zinc/02/14/73/825021473.db2.gz WSYWLZGKHHHDOG-WCBMZHEXSA-N 2 2 260.301 -0.053 20 0 CBADLP C[NH+](C)CCC(C)(C)NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220386448 825027427 /nfs/dbraw/zinc/02/74/27/825027427.db2.gz UJYUCMOPUWIDOO-SDDRHHMPSA-N 3 2 268.405 -0.217 20 0 CBADLP COC(=O)[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)C1 ZINC001220407005 825032633 /nfs/dbraw/zinc/03/26/33/825032633.db2.gz ZYJMHTLEZMTHCO-UHFZAUJKSA-N 2 2 281.356 -0.606 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N[C@H]1c2ccccc2CNC1=O ZINC001220406625 825033592 /nfs/dbraw/zinc/03/35/92/825033592.db2.gz UUVWFWNXFYEAGN-SRVKXCTJSA-N 2 2 274.324 -0.980 20 0 CBADLP O=C(NCc1ccc2nn[nH]c2c1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220426591 825037264 /nfs/dbraw/zinc/03/72/64/825037264.db2.gz KFTIWLDHFZDMOH-JTQLQIEISA-N 2 2 286.339 -0.617 20 0 CBADLP COCC[N@H+]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)[C@@H](O)C1 ZINC001220442098 825038298 /nfs/dbraw/zinc/03/82/98/825038298.db2.gz XMSYQECEEDGPKT-XQQFMLRXSA-N 2 2 296.371 -0.358 20 0 CBADLP COCC[N@@H+]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)[C@@H](O)C1 ZINC001220442098 825038300 /nfs/dbraw/zinc/03/83/00/825038300.db2.gz XMSYQECEEDGPKT-XQQFMLRXSA-N 2 2 296.371 -0.358 20 0 CBADLP C[C@@H](CC(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1O)n1cc[nH+]c1 ZINC001220441541 825038738 /nfs/dbraw/zinc/03/87/38/825038738.db2.gz FVDPUFJESRPFMO-XQQFMLRXSA-N 2 2 296.371 -0.622 20 0 CBADLP C[C@@H](CC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)n1cc[nH+]c1 ZINC001220441541 825038745 /nfs/dbraw/zinc/03/87/45/825038745.db2.gz FVDPUFJESRPFMO-XQQFMLRXSA-N 2 2 296.371 -0.622 20 0 CBADLP [NH3+][C@H](Cc1c[nH]cn1)C(=O)NC1CC[NH+](CCF)CC1 ZINC001220435565 825038843 /nfs/dbraw/zinc/03/88/43/825038843.db2.gz JKSXIEGVWQECDB-GFCCVEGCSA-N 2 2 283.351 -0.170 20 0 CBADLP [NH3+][C@H](Cc1cnc[nH]1)C(=O)NC1CC[NH+](CCF)CC1 ZINC001220435565 825038845 /nfs/dbraw/zinc/03/88/45/825038845.db2.gz JKSXIEGVWQECDB-GFCCVEGCSA-N 2 2 283.351 -0.170 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NC[C@H](O)C1CCCCC1 ZINC001220467064 825044263 /nfs/dbraw/zinc/04/42/63/825044263.db2.gz LTPWDGIVRNPNJY-SRVKXCTJSA-N 2 2 255.362 -0.410 20 0 CBADLP CC(C)(C)OC(=O)[C@H](CO)NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220477416 825045589 /nfs/dbraw/zinc/04/55/89/825045589.db2.gz KXWKMHICCGWIFP-ZJUUUORDSA-N 2 2 298.343 -0.902 20 0 CBADLP CC(C)(C)OC(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220477415 825046424 /nfs/dbraw/zinc/04/64/24/825046424.db2.gz KXWKMHICCGWIFP-UWVGGRQHSA-N 2 2 298.343 -0.902 20 0 CBADLP Cc1[nH][nH]c(=O)c1CCNC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001220492334 825048627 /nfs/dbraw/zinc/04/86/27/825048627.db2.gz KVFOBANJHMTMAP-NSHDSACASA-N 2 2 292.343 -0.614 20 0 CBADLP [NH3+]C1(CNC(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)CCCC1 ZINC001220494547 825049637 /nfs/dbraw/zinc/04/96/37/825049637.db2.gz MVFVKHGWNXIONB-ZWNOBZJWSA-N 3 2 252.362 -0.674 20 0 CBADLP COC(C)(CNC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C)OC ZINC001220508895 825051616 /nfs/dbraw/zinc/05/16/16/825051616.db2.gz BXSBUCTUWKABDS-JTQLQIEISA-N 2 2 270.333 -0.585 20 0 CBADLP COC(=O)C[C@@H](NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)c1cccnc1 ZINC001220529618 825059038 /nfs/dbraw/zinc/05/90/38/825059038.db2.gz GSFGOAGUEBQWPA-UTUOFQBUSA-N 2 2 292.339 -0.509 20 0 CBADLP [NH3+]C1(C(=O)NCc2nccc(Cl)n2)CC[NH2+]CC1 ZINC001220529490 825059199 /nfs/dbraw/zinc/05/91/99/825059199.db2.gz CBXWTDSSHPNCLR-UHFFFAOYSA-N 2 2 269.736 -0.173 20 0 CBADLP C[C@@H]1CC[NH2+][C@@H](C(=O)NCC[NH+]2CC3(COC3)C2)C1 ZINC001220571700 825067222 /nfs/dbraw/zinc/06/72/22/825067222.db2.gz XKAHVTSRGFICNF-VXGBXAGGSA-N 2 2 267.373 -0.177 20 0 CBADLP CC(C)(O)CCCNC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220573468 825067919 /nfs/dbraw/zinc/06/79/19/825067919.db2.gz MNXIBZSGIVSMAJ-SNVBAGLBSA-N 2 2 254.334 -0.053 20 0 CBADLP CS(=O)(=O)c1ccccc1CNC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001220683339 825083639 /nfs/dbraw/zinc/08/36/39/825083639.db2.gz MYRDJJQWNALEHE-MNOVXSKESA-N 2 2 297.380 -0.605 20 0 CBADLP CC(C)(CC(=O)N1CCCC1)NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001220686963 825084171 /nfs/dbraw/zinc/08/41/71/825084171.db2.gz AFPXJQDYVLXFKB-QWRGUYRKSA-N 2 2 282.388 -0.560 20 0 CBADLP CC(=O)CC(C)(C)NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220687977 825086405 /nfs/dbraw/zinc/08/64/05/825086405.db2.gz VRTSRIVOKNVMMK-GARJFASQSA-N 2 2 253.346 -0.190 20 0 CBADLP [NH3+]Cc1ncccc1NC(=O)[C@H]([NH3+])Cc1c[nH]cn1 ZINC001220711032 825090549 /nfs/dbraw/zinc/09/05/49/825090549.db2.gz INPGEKVQXFRYEH-SECBINFHSA-N 2 2 260.301 -0.228 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CC[NH2+]C[C@@H]1F ZINC001220724046 825092833 /nfs/dbraw/zinc/09/28/33/825092833.db2.gz CQTCFXPJXVMITC-WOPDTQHZSA-N 2 2 273.352 -0.229 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1CC[NH2+]C[C@@H]1F ZINC001220724046 825092843 /nfs/dbraw/zinc/09/28/43/825092843.db2.gz CQTCFXPJXVMITC-WOPDTQHZSA-N 2 2 273.352 -0.229 20 0 CBADLP CC(=O)NC[C@@H](C)CNC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220757213 825097183 /nfs/dbraw/zinc/09/71/83/825097183.db2.gz XCTLISBZHXNJPE-LDYMZIIASA-N 2 2 267.333 -0.832 20 0 CBADLP O=C(NCCC1CCC(O)CC1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220756528 825098033 /nfs/dbraw/zinc/09/80/33/825098033.db2.gz FMDXAPVDAKVWLL-GWIFJHRUSA-N 2 2 281.400 -0.005 20 0 CBADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001220769938 825100265 /nfs/dbraw/zinc/10/02/65/825100265.db2.gz RJNULCRHAXRLHC-WHOHXGKFSA-N 2 2 292.339 -0.914 20 0 CBADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N[C@@]23CC[C@@]([NH3+])(C2)CCC3)C1 ZINC001220779520 825100853 /nfs/dbraw/zinc/10/08/53/825100853.db2.gz USMJXAZETSCQBI-DJIHRAIXSA-N 3 2 252.362 -0.404 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NC[C@@H]1CC[NH2+][C@H]1c1cccnc1 ZINC001220789074 825102460 /nfs/dbraw/zinc/10/24/60/825102460.db2.gz JAFHXVZGWHOQCK-XUXIUFHCSA-N 3 2 289.383 -0.605 20 0 CBADLP [NH3+]C1(C(=O)NCCN2CCC(F)(F)C2)CC[NH2+]CC1 ZINC001220807062 825104065 /nfs/dbraw/zinc/10/40/65/825104065.db2.gz BVZMQFUDMSSIAG-UHFFFAOYSA-N 2 2 276.331 -0.476 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N[C@H]2CC[NH2+]C[C@H]2C(F)(F)F)C1 ZINC001220806042 825104082 /nfs/dbraw/zinc/10/40/82/825104082.db2.gz XEXRLXJMJRDRRX-HXFLIBJXSA-N 3 2 280.294 -0.668 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C(F)(F)F)C1 ZINC001220806047 825104258 /nfs/dbraw/zinc/10/42/58/825104258.db2.gz XEXRLXJMJRDRRX-XAVMHZPKSA-N 3 2 280.294 -0.668 20 0 CBADLP CCOC(=O)[C@@H](C)CNC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220848804 825112828 /nfs/dbraw/zinc/11/28/28/825112828.db2.gz JDTLGKDGKPYYDD-WPRPVWTQSA-N 2 2 268.317 -0.405 20 0 CBADLP CCOC(=O)C1(NC(=O)[C@@]2(C)CC(F)(F)C[NH2+]2)C[NH2+]C1 ZINC001220851217 825112888 /nfs/dbraw/zinc/11/28/88/825112888.db2.gz MQEROWJUDZNGND-SNVBAGLBSA-N 2 2 291.298 -0.605 20 0 CBADLP O=C(NCCO[C@@H]1CCCCO1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220862082 825113454 /nfs/dbraw/zinc/11/34/54/825113454.db2.gz OOBJXMOXVXXRKZ-OUCADQQQSA-N 2 2 283.372 -0.403 20 0 CBADLP [NH3+]Cc1ccccc1CNC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220855100 825113586 /nfs/dbraw/zinc/11/35/86/825113586.db2.gz LXVOXAPXAOWTOR-HIFRSBDPSA-N 3 2 274.368 -0.287 20 0 CBADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCO[C@@H]1CCCCO1 ZINC001220862007 825114200 /nfs/dbraw/zinc/11/42/00/825114200.db2.gz LWDYTEIXDTTYJI-NWDGAFQWSA-N 2 2 282.344 -0.061 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NCCO[C@H]1CCCCO1 ZINC001220862408 825115971 /nfs/dbraw/zinc/11/59/71/825115971.db2.gz ZVQSNTQANIBOOE-DCAQKATOSA-N 2 2 257.334 -0.808 20 0 CBADLP COc1cncc(CNC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)c1 ZINC001220871310 825117011 /nfs/dbraw/zinc/11/70/11/825117011.db2.gz ZTDFEYOHHFEXDA-BZPMIXESSA-N 2 2 276.340 -0.072 20 0 CBADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NC1(c2ncccn2)CC1 ZINC001220931861 825123440 /nfs/dbraw/zinc/12/34/40/825123440.db2.gz BKPLYMAGJHHFEX-SNVBAGLBSA-N 2 2 272.312 -0.125 20 0 CBADLP CCC(=O)N1CC[C@H](NC(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)C1 ZINC001220907474 825123657 /nfs/dbraw/zinc/12/36/57/825123657.db2.gz UAPLEALXCLXBIM-MJVIPROJSA-N 2 2 280.372 -0.935 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N(C2COC2)[C@@H]2CC[C@@H]([NH3+])CC2)C1 ZINC001220929863 825124532 /nfs/dbraw/zinc/12/45/32/825124532.db2.gz HZELUBPSDFQRHQ-UZWSLXQKSA-N 3 2 282.388 -0.827 20 0 CBADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)[C@H]1[NH2+]CC[C@@H]1O ZINC001220934063 825125871 /nfs/dbraw/zinc/12/58/71/825125871.db2.gz IKYDZNNXOQDRFP-MDZLAQPJSA-N 2 2 276.340 -0.501 20 0 CBADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)[C@@H]1C[NH2+]CCN1 ZINC001220934046 825126100 /nfs/dbraw/zinc/12/61/00/825126100.db2.gz HKNFQBIWQMGILR-NEPJUHHUSA-N 2 2 275.356 -0.662 20 0 CBADLP Cc1noc(C2(NC(=O)C3([NH3+])CC[NH2+]CC3)CC2)n1 ZINC001220933153 825126114 /nfs/dbraw/zinc/12/61/14/825126114.db2.gz YTPBRXNYLNUUPF-UHFFFAOYSA-N 2 2 265.317 -0.436 20 0 CBADLP CC1(C)C[C@@H](CNC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)CCO1 ZINC001220952786 825128793 /nfs/dbraw/zinc/12/87/93/825128793.db2.gz CZMUYOIUEOUXDN-AXFHLTTASA-N 2 2 255.362 -0.003 20 0 CBADLP O=C(NCC1(c2cnccn2)CC1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220993038 825133512 /nfs/dbraw/zinc/13/35/12/825133512.db2.gz YUCSDNXBLXIQSM-IAQYHMDHSA-N 2 2 287.367 -0.424 20 0 CBADLP C[C@@H]1C[C@@H](NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)CCO1 ZINC001221008116 825135147 /nfs/dbraw/zinc/13/51/47/825135147.db2.gz JVNMITXLYHQOPB-TUTUZKQUSA-N 2 2 253.346 -0.108 20 0 CBADLP C[C@H]1C[C@@H](NC(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)CCO1 ZINC001221007927 825135934 /nfs/dbraw/zinc/13/59/34/825135934.db2.gz HMLMDVHAQKPULJ-NHCYSSNCSA-N 2 2 266.345 -0.026 20 0 CBADLP C[C@@H]1C[C@H](NC(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)CCO1 ZINC001221008270 825135974 /nfs/dbraw/zinc/13/59/74/825135974.db2.gz PDWOOVKWUAMAFM-LSCVPOLPSA-N 2 2 253.346 -0.378 20 0 CBADLP C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)CCO1 ZINC001221008648 825136292 /nfs/dbraw/zinc/13/62/92/825136292.db2.gz XQWCFMBELCPWGC-WTPMCQDGSA-N 2 2 253.346 -0.380 20 0 CBADLP [NH3+]CCN(C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])c1ccc(F)cc1 ZINC001221060465 825139739 /nfs/dbraw/zinc/13/97/39/825139739.db2.gz AYRPGTONMWFRRL-RYUDHWBXSA-N 3 2 266.320 -0.336 20 0 CBADLP Cc1nccnc1CNC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001221104191 825144039 /nfs/dbraw/zinc/14/40/39/825144039.db2.gz YUIZTUAOFRXEOZ-BREBYQMCSA-N 2 2 261.329 -0.377 20 0 CBADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccnn1CCF ZINC001221105997 825144927 /nfs/dbraw/zinc/14/49/27/825144927.db2.gz IUTPPKRXURQOIR-NSHDSACASA-N 2 2 280.307 -0.238 20 0 CBADLP CC[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@@H](O)C1 ZINC001221161598 825149127 /nfs/dbraw/zinc/14/91/27/825149127.db2.gz VLRKWTXNAPMHTE-NEPJUHHUSA-N 2 2 266.345 -0.156 20 0 CBADLP CC[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@@H](O)C1 ZINC001221161598 825149135 /nfs/dbraw/zinc/14/91/35/825149135.db2.gz VLRKWTXNAPMHTE-NEPJUHHUSA-N 2 2 266.345 -0.156 20 0 CBADLP [NH3+]C1(C(=O)NCCc2ccc(CO)cc2)CC[NH2+]CC1 ZINC001221192235 825152796 /nfs/dbraw/zinc/15/27/96/825152796.db2.gz KPSORBAOGUEAID-UHFFFAOYSA-N 2 2 277.368 -0.082 20 0 CBADLP O=C(NCc1nc2cc[nH]cc-2n1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001221194179 825153312 /nfs/dbraw/zinc/15/33/12/825153312.db2.gz MWBWTJRPFZLRFE-INTQDDNPSA-N 2 2 286.339 -0.476 20 0 CBADLP O=C(NCc1cc2ccccn2n1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001221235054 825158194 /nfs/dbraw/zinc/15/81/94/825158194.db2.gz PTWVHJKJRMGOFD-ABAIWWIYSA-N 2 2 285.351 -0.098 20 0 CBADLP C[N@@H+]1CCC[C@](C)(NC(=O)C[NH2+]C2CC[NH2+]CC2)C1 ZINC001221241486 825158666 /nfs/dbraw/zinc/15/86/66/825158666.db2.gz WIASMIFXOJSNQY-AWEZNQCLSA-N 3 2 268.405 -0.072 20 0 CBADLP C[N@H+]1CCC[C@](C)(NC(=O)C[NH2+]C2CC[NH2+]CC2)C1 ZINC001221241486 825158667 /nfs/dbraw/zinc/15/86/67/825158667.db2.gz WIASMIFXOJSNQY-AWEZNQCLSA-N 3 2 268.405 -0.072 20 0 CBADLP C[N@@H+]1CCC[C@@](C)(NC(=O)[C@H]([NH3+])Cc2c[nH]cn2)C1 ZINC001221241089 825159190 /nfs/dbraw/zinc/15/91/90/825159190.db2.gz NJWJLPNQMVSITE-DGCLKSJQSA-N 2 2 265.361 -0.120 20 0 CBADLP C[N@H+]1CCC[C@@](C)(NC(=O)[C@H]([NH3+])Cc2c[nH]cn2)C1 ZINC001221241089 825159192 /nfs/dbraw/zinc/15/91/92/825159192.db2.gz NJWJLPNQMVSITE-DGCLKSJQSA-N 2 2 265.361 -0.120 20 0 CBADLP CCOC(=O)/C=C(/NC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2)OCC ZINC001221262483 825163585 /nfs/dbraw/zinc/16/35/85/825163585.db2.gz FXEMXFNUOQBKHG-RHEOLOAOSA-N 2 2 297.355 -0.505 20 0 CBADLP CC(C)(O)[C@H](F)CNC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001221260772 825164170 /nfs/dbraw/zinc/16/41/70/825164170.db2.gz XDUMFEMGYACXSF-HNBLOZHYSA-N 2 2 259.325 -0.567 20 0 CBADLP CC(C)(O)[C@H](F)CNC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001221260646 825164362 /nfs/dbraw/zinc/16/43/62/825164362.db2.gz UFZBMJRWKBAWAQ-SBMIAAHKSA-N 2 2 259.325 -0.837 20 0 CBADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCC[C@H]1CO ZINC001221306820 825168031 /nfs/dbraw/zinc/16/80/31/825168031.db2.gz ZYTXCBOUROLVLZ-LSJOCFKGSA-N 2 2 252.318 -0.443 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NCC[C@@H]1COc2ccccc2O1 ZINC001221295567 825168281 /nfs/dbraw/zinc/16/82/81/825168281.db2.gz LNAIUUITYUHJQB-WOPDTQHZSA-N 2 2 291.351 -0.121 20 0 CBADLP O=C(N[C@H]1CCC[C@H]1CO)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001221306570 825168534 /nfs/dbraw/zinc/16/85/34/825168534.db2.gz VAAPLYNHCDOZHL-NOHGZBONSA-N 2 2 253.346 -0.785 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NCc1ccc2c(c1)CC(=O)N2 ZINC001221298554 825168644 /nfs/dbraw/zinc/16/86/44/825168644.db2.gz SGEBOJCMVBEKMD-QWRGUYRKSA-N 2 2 274.324 -0.656 20 0 CBADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)NC2=CC(=O)NCC2)cc1 ZINC001221319332 825171117 /nfs/dbraw/zinc/17/11/17/825171117.db2.gz WHWRJHCRZCDLFG-LBPRGKRZSA-N 2 2 274.324 -0.221 20 0 CBADLP COc1cnccc1CCNC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001221336691 825173662 /nfs/dbraw/zinc/17/36/62/825173662.db2.gz GMWWCQGJFRQMRB-QWRGUYRKSA-N 2 2 264.329 -0.704 20 0 CBADLP CCn1nnc2c1[C@@H](C(=O)NCCCC[NH3+])C[NH2+]C2 ZINC001221344255 825175153 /nfs/dbraw/zinc/17/51/53/825175153.db2.gz XJNAHZGNIFXSKI-VIFPVBQESA-N 2 2 266.349 -0.660 20 0 CBADLP CC(C)(C)[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1[NH2+]CC[C@H]1O ZINC001221358860 825176451 /nfs/dbraw/zinc/17/64/51/825176451.db2.gz RUMVMALWJXREDG-AGIUHOORSA-N 2 2 299.415 -0.428 20 0 CBADLP CC(C)(C)[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001221356989 825176695 /nfs/dbraw/zinc/17/66/95/825176695.db2.gz FEACNCYJANKRAH-UPJWGTAASA-N 2 2 299.415 -0.428 20 0 CBADLP [NH3+]C1(C(=O)NC[C@@H](CO)c2ccccc2)CC[NH2+]CC1 ZINC001221377759 825178844 /nfs/dbraw/zinc/17/88/44/825178844.db2.gz PKPOODUHOOPOEP-ZDUSSCGKSA-N 2 2 277.368 -0.040 20 0 CBADLP [NH3+][C@H](C(=O)NCCOc1cc[nH+]cc1)C1CC[NH2+]CC1 ZINC001221393432 825181444 /nfs/dbraw/zinc/18/14/44/825181444.db2.gz DHMCLIGXAHCJNA-ZDUSSCGKSA-N 3 2 278.356 -0.097 20 0 CBADLP CC(C)N(C(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2)C(C)(C)C[NH3+] ZINC001221394068 825181632 /nfs/dbraw/zinc/18/16/32/825181632.db2.gz IELWITISQSQPBB-SMDDNHRTSA-N 3 2 268.405 -0.088 20 0 CBADLP CC(C)N(C(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2)C(C)(C)C[NH3+] ZINC001221394065 825181850 /nfs/dbraw/zinc/18/18/50/825181850.db2.gz IELWITISQSQPBB-BXUZGUMPSA-N 3 2 268.405 -0.088 20 0 CBADLP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)[C@@H](C)C1 ZINC001221405898 825183874 /nfs/dbraw/zinc/18/38/74/825183874.db2.gz CKYDREAEFBBDMV-RNJOBUHISA-N 3 2 268.405 -0.089 20 0 CBADLP CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)[C@@H](C)C1 ZINC001221405898 825183877 /nfs/dbraw/zinc/18/38/77/825183877.db2.gz CKYDREAEFBBDMV-RNJOBUHISA-N 3 2 268.405 -0.089 20 0 CBADLP O=C(N[C@H](C1CCC1)C1C[NH2+]C1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001221410196 825185084 /nfs/dbraw/zinc/18/50/84/825185084.db2.gz QFZDSWXFGNVBTK-GUTXKFCHSA-N 3 2 278.400 -0.558 20 0 CBADLP O=C(N[C@@H](C1CCC1)C1C[NH2+]C1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001221408073 825185862 /nfs/dbraw/zinc/18/58/62/825185862.db2.gz GUBRSKDRGPIUGH-DEQVHRJGSA-N 3 2 278.400 -0.559 20 0 CBADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C1CCC1)C1C[NH2+]C1 ZINC001221411872 825187734 /nfs/dbraw/zinc/18/77/34/825187734.db2.gz YHLRHSLWWABMMY-STQMWFEESA-N 3 2 277.372 -0.216 20 0 CBADLP Nc1[nH]cc(CN2CC[NH2+]C3(CC[NH2+]CC3)C2)[nH+]1 ZINC001222109545 825200798 /nfs/dbraw/zinc/20/07/98/825200798.db2.gz KLAGKKLQJSEBQG-UHFFFAOYSA-N 3 2 250.350 -0.481 20 0 CBADLP COC(=O)[C@@H](C)CN1CC[NH2+][C@H]2CC[NH2+]CC[C@@H]21 ZINC001222491569 825211794 /nfs/dbraw/zinc/21/17/94/825211794.db2.gz FAPIROCAQVOJRA-SRVKXCTJSA-N 2 2 255.362 -0.179 20 0 CBADLP C[NH+]1CCN(CCOC[C@H]2C[N@H+](C)CCO2)CC1 ZINC001224549432 825241812 /nfs/dbraw/zinc/24/18/12/825241812.db2.gz NYKYWVZUOOMTTO-CYBMUJFWSA-N 2 2 257.378 -0.419 20 0 CBADLP C[NH+]1CCN(CCOC[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001224549432 825241819 /nfs/dbraw/zinc/24/18/19/825241819.db2.gz NYKYWVZUOOMTTO-CYBMUJFWSA-N 2 2 257.378 -0.419 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](OCCC[NH+]2CCOCC2)C[N@@H+]1C ZINC001224868106 825249978 /nfs/dbraw/zinc/24/99/78/825249978.db2.gz PLDPLQIFNXFITL-OLZOCXBDSA-N 2 2 286.372 -0.029 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](OCCC[NH+]2CCOCC2)C[N@H+]1C ZINC001224868106 825249985 /nfs/dbraw/zinc/24/99/85/825249985.db2.gz PLDPLQIFNXFITL-OLZOCXBDSA-N 2 2 286.372 -0.029 20 0 CBADLP NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001226678979 825285182 /nfs/dbraw/zinc/28/51/82/825285182.db2.gz BYPWILBFCMBHGU-VXGBXAGGSA-N 2 2 293.371 -0.155 20 0 CBADLP NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001226678979 825285193 /nfs/dbraw/zinc/28/51/93/825285193.db2.gz BYPWILBFCMBHGU-VXGBXAGGSA-N 2 2 293.371 -0.155 20 0 CBADLP C[NH+]1CCN(C2C[NH+](Cc3c[nH]c(=O)[nH]c3=O)C2)CC1 ZINC001231706475 825413087 /nfs/dbraw/zinc/41/30/87/825413087.db2.gz LRISHKLZBTXWII-UHFFFAOYSA-N 2 2 279.344 -0.681 20 0 CBADLP C(C[N@@H+]1CCN2CC[NH2+]C[C@H]2C1)[C@H]1CCC[NH2+]C1 ZINC001234974498 825478271 /nfs/dbraw/zinc/47/82/71/825478271.db2.gz KXEHWHNHQOGADS-KGLIPLIRSA-N 3 2 252.406 -0.035 20 0 CBADLP C(C[N@H+]1CCN2CC[NH2+]C[C@H]2C1)[C@H]1CCC[NH2+]C1 ZINC001234974498 825478273 /nfs/dbraw/zinc/47/82/73/825478273.db2.gz KXEHWHNHQOGADS-KGLIPLIRSA-N 3 2 252.406 -0.035 20 0 CBADLP O=c1[nH]cc(C[N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)c(=O)[nH]1 ZINC001235061270 825485026 /nfs/dbraw/zinc/48/50/26/825485026.db2.gz JMTSUURCALISJC-GFCCVEGCSA-N 2 2 265.317 -0.975 20 0 CBADLP O=c1[nH]cc(C[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)c(=O)[nH]1 ZINC001235061270 825485027 /nfs/dbraw/zinc/48/50/27/825485027.db2.gz JMTSUURCALISJC-GFCCVEGCSA-N 2 2 265.317 -0.975 20 0 CBADLP CC(C)(CN1CCN[C@@]2(CC[NH2+]C2)C1)[NH+]1CCOCC1 ZINC001235055604 825485493 /nfs/dbraw/zinc/48/54/93/825485493.db2.gz TXAUFBTZEVBGRF-OAHLLOKOSA-N 2 2 282.432 -0.266 20 0 CBADLP COC(=O)[C@H]1C[N@H+](CC[C@@H]2CCCC[NH2+]2)CCN1 ZINC001235444199 825496048 /nfs/dbraw/zinc/49/60/48/825496048.db2.gz NUSMXVJVSIGBJX-NWDGAFQWSA-N 2 2 255.362 -0.035 20 0 CBADLP COC(=O)[C@H]1C[N@@H+](CC[C@@H]2CCCC[NH2+]2)CCN1 ZINC001235444199 825496051 /nfs/dbraw/zinc/49/60/51/825496051.db2.gz NUSMXVJVSIGBJX-NWDGAFQWSA-N 2 2 255.362 -0.035 20 0 CBADLP [NH3+]CC[N@@H+]1C[C@@H]2COC[C@H](C(=O)N3CCCCO3)[C@@H]2C1 ZINC001235468996 825497155 /nfs/dbraw/zinc/49/71/55/825497155.db2.gz WRDOLKFYGKIVKG-UPJWGTAASA-N 2 2 283.372 -0.307 20 0 CBADLP [NH3+]CC[N@H+]1C[C@@H]2COC[C@H](C(=O)N3CCCCO3)[C@@H]2C1 ZINC001235468996 825497157 /nfs/dbraw/zinc/49/71/57/825497157.db2.gz WRDOLKFYGKIVKG-UPJWGTAASA-N 2 2 283.372 -0.307 20 0 CBADLP CN(C)C(=O)NC[C@H]1OC[C@@H]2CC[N@H+](CC[NH3+])C[C@@H]21 ZINC001235523425 825500967 /nfs/dbraw/zinc/50/09/67/825500967.db2.gz XKDHKYDUNCQTLF-SDDRHHMPSA-N 2 2 270.377 -0.447 20 0 CBADLP CN(C)C(=O)NC[C@H]1OC[C@@H]2CC[N@@H+](CC[NH3+])C[C@@H]21 ZINC001235523425 825500969 /nfs/dbraw/zinc/50/09/69/825500969.db2.gz XKDHKYDUNCQTLF-SDDRHHMPSA-N 2 2 270.377 -0.447 20 0 CBADLP [NH3+]CC[NH+]1CCC2(C[C@H](C(=O)N3CCOCC3)CO2)CC1 ZINC001235612975 825506958 /nfs/dbraw/zinc/50/69/58/825506958.db2.gz TXOHRZJZZCMEBJ-ZDUSSCGKSA-N 2 2 297.399 -0.325 20 0 CBADLP CN(C)C(=O)CN1CCC2(CCC[N@@H+]2CC[NH3+])CC1 ZINC001235642267 825510335 /nfs/dbraw/zinc/51/03/35/825510335.db2.gz DZUCNQWPNPPWLS-UHFFFAOYSA-N 2 2 268.405 -0.036 20 0 CBADLP CN(C)C(=O)CN1CCC2(CCC[N@H+]2CC[NH3+])CC1 ZINC001235642267 825510338 /nfs/dbraw/zinc/51/03/38/825510338.db2.gz DZUCNQWPNPPWLS-UHFFFAOYSA-N 2 2 268.405 -0.036 20 0 CBADLP CNc1nccc(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])n1 ZINC001235993744 825519741 /nfs/dbraw/zinc/51/97/41/825519741.db2.gz JYLDFCUVACDJSP-DHHPTOIESA-N 2 2 263.345 -0.076 20 0 CBADLP CNc1nccc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])n1 ZINC001235993744 825519745 /nfs/dbraw/zinc/51/97/45/825519745.db2.gz JYLDFCUVACDJSP-DHHPTOIESA-N 2 2 263.345 -0.076 20 0 CBADLP COC(=O)[C@@H]([NH3+])C1CCN(C[C@@H]2C[NH2+]C(C)(C)O2)CC1 ZINC001236067909 825522737 /nfs/dbraw/zinc/52/27/37/825522737.db2.gz RMJRTLJIFYFBOB-RYUDHWBXSA-N 2 2 285.388 -0.077 20 0 CBADLP COC(=O)[C@@H]1C[N@H+](CC2(C)CC[NH2+]CC2)C[C@@H]1[NH3+] ZINC001236340013 825526920 /nfs/dbraw/zinc/52/69/20/825526920.db2.gz GWULVILKTCXGEO-MNOVXSKESA-N 3 2 255.362 -0.192 20 0 CBADLP COC(=O)[C@@H]1C[N@@H+](CC2(C)CC[NH2+]CC2)C[C@@H]1[NH3+] ZINC001236340013 825526924 /nfs/dbraw/zinc/52/69/24/825526924.db2.gz GWULVILKTCXGEO-MNOVXSKESA-N 3 2 255.362 -0.192 20 0 CBADLP C[N@H+](C[C@@H]1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1O)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236412982 825532010 /nfs/dbraw/zinc/53/20/10/825532010.db2.gz MFXBVHIPIZLZDS-DJZSBQJZSA-N 2 2 284.356 -0.627 20 0 CBADLP C[N@@H+](C[C@@H]1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1O)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236412982 825532018 /nfs/dbraw/zinc/53/20/18/825532018.db2.gz MFXBVHIPIZLZDS-DJZSBQJZSA-N 2 2 284.356 -0.627 20 0 CBADLP [NH3+]CCN(CC[NH+]1CCOCC1)CC1CC[NH2+]CC1 ZINC001236400503 825532485 /nfs/dbraw/zinc/53/24/85/825532485.db2.gz XKSCTHYYAWRIQW-UHFFFAOYSA-N 3 2 270.421 -0.421 20 0 CBADLP C[C@]1(CNS(=O)(=O)CC[NH3+])CC[NH2+]CC1(F)F ZINC001238505782 825554381 /nfs/dbraw/zinc/55/43/81/825554381.db2.gz WKUBABXFQVRVKX-MRVPVSSYSA-N 2 2 271.333 -0.501 20 0 CBADLP [NH3+]CCS(=O)(=O)N[C@H]1CC[N@H+](Cc2cccnc2)C1 ZINC001238808108 825565160 /nfs/dbraw/zinc/56/51/60/825565160.db2.gz OBEIJGPURAPAOJ-LBPRGKRZSA-N 2 2 284.385 -0.466 20 0 CBADLP [NH3+]CCS(=O)(=O)N[C@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC001238808108 825565163 /nfs/dbraw/zinc/56/51/63/825565163.db2.gz OBEIJGPURAPAOJ-LBPRGKRZSA-N 2 2 284.385 -0.466 20 0 CBADLP Nc1ccc(S(=O)(=O)NCC[NH2+]CC[NH3+])cc1 ZINC001238838437 825566666 /nfs/dbraw/zinc/56/66/66/825566666.db2.gz JWOYXAPQPAMYCS-UHFFFAOYSA-N 2 2 258.347 -0.905 20 0 CBADLP CN(C)C1=[NH+]OC2(C1)CCN(S(=O)(=O)CC[NH3+])CC2 ZINC001239080492 825584807 /nfs/dbraw/zinc/58/48/07/825584807.db2.gz GKCKVVGZTXPWPU-UHFFFAOYSA-N 2 2 290.389 -0.595 20 0 CBADLP [NH3+][C@H]1CN(C(=S)NCCC[NH+]2CCOCC2)C[C@H]1F ZINC001239402260 825602580 /nfs/dbraw/zinc/60/25/80/825602580.db2.gz NGSHBFJDTRICQS-MNOVXSKESA-N 2 2 290.408 -0.436 20 0 CBADLP S=C(NC1CC1)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001239437886 825604185 /nfs/dbraw/zinc/60/41/85/825604185.db2.gz AJWLUUIFNTXXRA-UHFFFAOYSA-N 2 2 271.434 -0.892 20 0 CBADLP [NH3+]C1(CNC[C@H](O)C[NH+]2CCOCC2)CCCC1 ZINC001245971678 825616498 /nfs/dbraw/zinc/61/64/98/825616498.db2.gz BOWAYSDFXOZVOJ-LBPRGKRZSA-N 2 2 257.378 -0.459 20 0 CBADLP O[C@@H](C[NH2+][C@H]1CCCC[NH2+]C1)CC1(O)CC[NH2+]CC1 ZINC001245986954 825618237 /nfs/dbraw/zinc/61/82/37/825618237.db2.gz AHMFHMCMFRCNAN-QWHCGFSZSA-N 3 2 271.405 -0.416 20 0 CBADLP O[C@H](C[NH2+][C@H]1C[NH2+]CC12CC2)CC1(O)CC[NH2+]CC1 ZINC001245988399 825618519 /nfs/dbraw/zinc/61/85/19/825618519.db2.gz VSAHDORYIYRZRN-RYUDHWBXSA-N 3 2 269.389 -0.807 20 0 CBADLP C[C@@H]1CC[C@@H](CNC[C@@H](O)C[NH+]2CCOCC2)[NH2+]C1 ZINC001245994181 825619185 /nfs/dbraw/zinc/61/91/85/825619185.db2.gz QMKASMOCDWTQSQ-HZSPNIEDSA-N 2 2 271.405 -0.343 20 0 CBADLP COc1cccc(OC[C@H](O)C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c1 ZINC001246018469 825622136 /nfs/dbraw/zinc/62/21/36/825622136.db2.gz DPIBBYHKLKMRPC-KCPJHIHWSA-N 2 2 296.367 -0.171 20 0 CBADLP COc1cccc(OC[C@H](O)C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c1 ZINC001246018469 825622141 /nfs/dbraw/zinc/62/21/41/825622141.db2.gz DPIBBYHKLKMRPC-KCPJHIHWSA-N 2 2 296.367 -0.171 20 0 CBADLP CC(C)(C)OC(=O)[C@H](O)C[N@@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246018551 825622487 /nfs/dbraw/zinc/62/24/87/825622487.db2.gz DVTYNJCJWIAHTQ-OPRDCNLKSA-N 2 2 260.334 -0.917 20 0 CBADLP CC(C)(C)OC(=O)[C@H](O)C[N@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246018551 825622491 /nfs/dbraw/zinc/62/24/91/825622491.db2.gz DVTYNJCJWIAHTQ-OPRDCNLKSA-N 2 2 260.334 -0.917 20 0 CBADLP CC(C)OC[C@H](O)C[N@@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001246021283 825623495 /nfs/dbraw/zinc/62/34/95/825623495.db2.gz FJJOWOCHLGYUEH-RDBSUJKOSA-N 2 2 271.405 -0.202 20 0 CBADLP CC(C)OC[C@H](O)C[N@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001246021283 825623498 /nfs/dbraw/zinc/62/34/98/825623498.db2.gz FJJOWOCHLGYUEH-RDBSUJKOSA-N 2 2 271.405 -0.202 20 0 CBADLP [NH3+][C@@H]1CN(C[C@H](O)CC2(O)CC[NH2+]CC2)CCC1(F)F ZINC001246031067 825628294 /nfs/dbraw/zinc/62/82/94/825628294.db2.gz HMAQDZRSCWVCHV-GHMZBOCLSA-N 2 2 293.358 -0.480 20 0 CBADLP CC1(C[NH3+])C[NH+](C[C@@H](O)CC2(O)CC[NH2+]CC2)C1 ZINC001246036855 825629189 /nfs/dbraw/zinc/62/91/89/825629189.db2.gz SLSNRGNGVQTUHK-NSHDSACASA-N 3 2 257.378 -0.868 20 0 CBADLP CC(C)(C)[NH2+]C[C@@H](O)CN1CC[NH2+]C2(CC[NH2+]CC2)C1 ZINC001246034552 825629350 /nfs/dbraw/zinc/62/93/50/825629350.db2.gz XNRKLGHWKICQJW-CYBMUJFWSA-N 3 2 284.448 -0.237 20 0 CBADLP O[C@H](CN1CCOCC1)C[N@@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001246034511 825629520 /nfs/dbraw/zinc/62/95/20/825629520.db2.gz XGKAYKPLBXGTHK-CABCVRRESA-N 2 2 283.416 -0.103 20 0 CBADLP O[C@H](CN1CCOCC1)C[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001246034511 825629524 /nfs/dbraw/zinc/62/95/24/825629524.db2.gz XGKAYKPLBXGTHK-CABCVRRESA-N 2 2 283.416 -0.103 20 0 CBADLP COC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H]2CCOC23C[NH2+]C3)CN1 ZINC001246122708 825637610 /nfs/dbraw/zinc/63/76/10/825637610.db2.gz BYJWMJKQTGCUDA-OUAUKWLOSA-N 2 2 269.345 -1.000 20 0 CBADLP CCOC(=O)C[C@@]1(N[C@@H]2C[NH2+][C@H](C(=O)OC)C2)CC[NH2+]C1 ZINC001246122360 825637696 /nfs/dbraw/zinc/63/76/96/825637696.db2.gz ADSWANDSXPPVFS-MJVIPROJSA-N 2 2 299.371 -0.835 20 0 CBADLP C1[NH2+]CC12C[C@H]([NH2+]C1C[C@@H]3COC[C@H](C1)[NH2+]3)CCN2 ZINC001246133407 825639556 /nfs/dbraw/zinc/63/95/56/825639556.db2.gz JCKWTFTYZNLKSG-ODWCKFRGSA-N 3 2 266.389 -0.811 20 0 CBADLP COC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@@]2(F)CC[NH2+]C2)CN1 ZINC001246139442 825640407 /nfs/dbraw/zinc/64/04/07/825640407.db2.gz CZFMHVTURPJPSA-JFGNBEQYSA-N 2 2 259.325 -0.429 20 0 CBADLP CC[C@@]1(C(=O)OC)C[C@@H](N[C@@H]2[C@H]3C[NH2+]C[C@@H]2COC3)C[NH2+]1 ZINC001246149918 825642072 /nfs/dbraw/zinc/64/20/72/825642072.db2.gz QYQVYLUWLWJZAV-JYKNGBAOSA-N 2 2 297.399 -0.506 20 0 CBADLP C([NH2+][C@H]1CCOC2(C[NH2+]C2)C1)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001246150567 825642597 /nfs/dbraw/zinc/64/25/97/825642597.db2.gz WLPTWXGIVWKKNV-KBPBESRZSA-N 4 2 294.443 -0.029 20 0 CBADLP COC(=O)[C@@H]1C[C@H](NC[C@]2(F)CCC[NH2+]C2)C[NH2+]1 ZINC001246178233 825645256 /nfs/dbraw/zinc/64/52/56/825645256.db2.gz NSVBPXSUKKHUET-NHCYSSNCSA-N 2 2 259.325 -0.429 20 0 CBADLP F[C@]1(C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CCC[NH2+]C1 ZINC001246180150 825645775 /nfs/dbraw/zinc/64/57/75/825645775.db2.gz PZQIJEBNDSWYIC-NWDGAFQWSA-N 3 2 256.369 -0.238 20 0 CBADLP CO[C@H]1C[NH2+]C[C@@H]1N[C@H]1C[NH2+][C@H](C(=O)OC(C)(C)C)C1 ZINC001246238194 825655077 /nfs/dbraw/zinc/65/50/77/825655077.db2.gz CRQXDMVWLIORCK-RHYQMDGZSA-N 2 2 285.388 -0.365 20 0 CBADLP COC(=O)[C@@H]1C[C@H](N(CC[NH3+])c2ccccn2)C[NH2+]1 ZINC001246252704 825656466 /nfs/dbraw/zinc/65/64/66/825656466.db2.gz BNSQUPMJWSZLGS-QWRGUYRKSA-N 2 2 264.329 -0.250 20 0 CBADLP COC(=O)[C@@H]1CC[C@H]([NH2+]CCC[N@H+](C)CCC[NH3+])CN1 ZINC001246282601 825659377 /nfs/dbraw/zinc/65/93/77/825659377.db2.gz DZFNCAMMZXYTPT-STQMWFEESA-N 3 2 286.420 -0.460 20 0 CBADLP COC(=O)[C@@H]1CC[C@H]([NH2+]CCC[N@@H+](C)CCC[NH3+])CN1 ZINC001246282601 825659380 /nfs/dbraw/zinc/65/93/80/825659380.db2.gz DZFNCAMMZXYTPT-STQMWFEESA-N 3 2 286.420 -0.460 20 0 CBADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)N[C@@H]1CCC[NH2+]C1 ZINC001246333732 825665270 /nfs/dbraw/zinc/66/52/70/825665270.db2.gz NDAZJQUZQHZXQX-ZYHUDNBSSA-N 2 2 266.345 -0.154 20 0 CBADLP COC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2C[NH2+]CC[C@@H]2C)CN1 ZINC001246331223 825665521 /nfs/dbraw/zinc/66/55/21/825665521.db2.gz MSVVHBXSMNYADC-BJDJZHNGSA-N 2 2 255.362 -0.132 20 0 CBADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC1CC[NH2+]CC1 ZINC001246334339 825665544 /nfs/dbraw/zinc/66/55/44/825665544.db2.gz QOQKIWXQZGBFTE-LBPRGKRZSA-N 2 2 266.345 -0.154 20 0 CBADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)N[C@H]1CCC[NH2+]C1 ZINC001246333729 825665614 /nfs/dbraw/zinc/66/56/14/825665614.db2.gz NDAZJQUZQHZXQX-CMPLNLGQSA-N 2 2 266.345 -0.154 20 0 CBADLP C1[NH2+]CC12C[C@H]([NH2+][C@H]1C[C@@H]3COC[C@H](C1)[NH2+]3)CCN2 ZINC001246389032 825670313 /nfs/dbraw/zinc/67/03/13/825670313.db2.gz JCKWTFTYZNLKSG-FVCCEPFGSA-N 3 2 266.389 -0.811 20 0 CBADLP COC(=O)CC[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)C(N)=O ZINC001246388367 825670834 /nfs/dbraw/zinc/67/08/34/825670834.db2.gz HSQRIPFTJQASIS-UTLUCORTSA-N 2 2 257.334 -0.476 20 0 CBADLP COC(=O)CC[C@H]([NH2+][C@H]1CC[NH2+][C@@H](C)C1)C(N)=O ZINC001246388366 825670841 /nfs/dbraw/zinc/67/08/41/825670841.db2.gz HSQRIPFTJQASIS-GUBZILKMSA-N 2 2 257.334 -0.476 20 0 CBADLP NC(=O)[C@@H]([NH3+])CCCC[NH2+]C1C[C@@H]2COC[C@H](C1)[NH2+]2 ZINC001246413015 825671503 /nfs/dbraw/zinc/67/15/03/825671503.db2.gz DYUJVIKZCFGOBS-YATPEIPISA-N 3 2 270.377 -0.922 20 0 CBADLP COC(=O)[C@@H]1C[C@H]([NH2+][C@@H]2CC23C[NH2+]C3)C[C@@H]1C(=O)OC ZINC001246453576 825673555 /nfs/dbraw/zinc/67/35/55/825673555.db2.gz XTAQIHMMPGULFD-LMLFDSFASA-N 2 2 282.340 -0.321 20 0 CBADLP CCOC(=O)C1(N[C@@H]2C[NH2+][C@H](C(=O)OC)C2)CC[NH2+]CC1 ZINC001246462779 825674769 /nfs/dbraw/zinc/67/47/69/825674769.db2.gz DHHBUAYKJQHKOQ-QWRGUYRKSA-N 2 2 299.371 -0.835 20 0 CBADLP COC(=O)[C@@H]1C[C@H]([NH2+][C@@H]2C=C[C@H]3C[NH2+]C[C@H]32)CN1 ZINC001246473456 825676069 /nfs/dbraw/zinc/67/60/69/825676069.db2.gz IWTZBAQUZFZLDM-HGCLJGPKSA-N 2 2 251.330 -0.747 20 0 CBADLP COC(=O)[C@@H]1C[C@H](N[C@@H]2C=C[C@H]3C[NH2+]C[C@H]32)C[NH2+]1 ZINC001246473456 825676073 /nfs/dbraw/zinc/67/60/73/825676073.db2.gz IWTZBAQUZFZLDM-HGCLJGPKSA-N 2 2 251.330 -0.747 20 0 CBADLP COC(=O)[C@@H]1CC[C@H]([NH2+]C2(CO)CC[NH+](C)CC2)CN1 ZINC001246509313 825678702 /nfs/dbraw/zinc/67/87/02/825678702.db2.gz HGOFXOVFIAXTBH-RYUDHWBXSA-N 2 2 285.388 -0.674 20 0 CBADLP CCOC(=O)N1CC[C@H]([N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)C1 ZINC001246558176 825686032 /nfs/dbraw/zinc/68/60/32/825686032.db2.gz JLAMUPGYSWTVER-HBNTYKKESA-N 2 2 257.334 -0.389 20 0 CBADLP CCOC(=O)N1CC[C@H]([N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)C1 ZINC001246558176 825686037 /nfs/dbraw/zinc/68/60/37/825686037.db2.gz JLAMUPGYSWTVER-HBNTYKKESA-N 2 2 257.334 -0.389 20 0 CBADLP [NH3+][C@@H]1C[N@@H+]([C@H]2CCC[C@H](n3ncnn3)C2)C[C@H]1O ZINC001246558873 825686443 /nfs/dbraw/zinc/68/64/43/825686443.db2.gz RMXAESHKHOQMGA-UKKRHICBSA-N 2 2 252.322 -0.839 20 0 CBADLP [NH3+][C@@H]1C[N@H+]([C@H]2CCC[C@H](n3ncnn3)C2)C[C@H]1O ZINC001246558873 825686445 /nfs/dbraw/zinc/68/64/45/825686445.db2.gz RMXAESHKHOQMGA-UKKRHICBSA-N 2 2 252.322 -0.839 20 0 CBADLP N[C@@H]1C[N@@H+](C2CCC([NH+]3CCOCC3)CC2)C[C@H]1O ZINC001246558200 825686675 /nfs/dbraw/zinc/68/66/75/825686675.db2.gz PBSXQVBQWBJPQW-NWINJMCUSA-N 2 2 269.389 -0.366 20 0 CBADLP N[C@@H]1C[N@H+](C2CCC([NH+]3CCOCC3)CC2)C[C@H]1O ZINC001246558200 825686681 /nfs/dbraw/zinc/68/66/81/825686681.db2.gz PBSXQVBQWBJPQW-NWINJMCUSA-N 2 2 269.389 -0.366 20 0 CBADLP CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)CN1 ZINC001246567367 825687392 /nfs/dbraw/zinc/68/73/92/825687392.db2.gz KRKUSAZEGHJQML-WHOHXGKFSA-N 2 2 271.361 -0.936 20 0 CBADLP CCOC(=O)[C@@H]1CC[C@H]([N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)CN1 ZINC001246567367 825687397 /nfs/dbraw/zinc/68/73/97/825687397.db2.gz KRKUSAZEGHJQML-WHOHXGKFSA-N 2 2 271.361 -0.936 20 0 CBADLP COC(=O)[C@@H]1C[C@H]([N@@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)CN1 ZINC001246588938 825692140 /nfs/dbraw/zinc/69/21/40/825692140.db2.gz BRVWOZJQXMVRCC-USZNOCQGSA-N 2 2 255.362 -0.051 20 0 CBADLP COC(=O)[C@@H]1C[C@H]([N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)CN1 ZINC001246588938 825692141 /nfs/dbraw/zinc/69/21/41/825692141.db2.gz BRVWOZJQXMVRCC-USZNOCQGSA-N 2 2 255.362 -0.051 20 0 CBADLP C[C@@H]1C[C@@H]([N@@H+]2CC(=O)NC3(CC[NH2+]CC3)C2)CC[NH2+]1 ZINC001246626578 825697902 /nfs/dbraw/zinc/69/79/02/825697902.db2.gz JUWJVZFNOXYCMV-NEPJUHHUSA-N 3 2 266.389 -0.319 20 0 CBADLP C[C@@H]1C[C@@H]([N@H+]2CC(=O)NC3(CC[NH2+]CC3)C2)CC[NH2+]1 ZINC001246626578 825697905 /nfs/dbraw/zinc/69/79/05/825697905.db2.gz JUWJVZFNOXYCMV-NEPJUHHUSA-N 3 2 266.389 -0.319 20 0 CBADLP COC(=O)[C@@H]1C[C@H]([N@@H+]2CC[C@H]3[NH2+]CC[C@H]32)CCN1 ZINC001246635618 825699551 /nfs/dbraw/zinc/69/95/51/825699551.db2.gz DODSJYTVDIKTLX-WISYIIOYSA-N 2 2 253.346 -0.284 20 0 CBADLP COC(=O)[C@@H]1C[C@H]([N@H+]2CC[C@H]3[NH2+]CC[C@H]32)CCN1 ZINC001246635618 825699553 /nfs/dbraw/zinc/69/95/53/825699553.db2.gz DODSJYTVDIKTLX-WISYIIOYSA-N 2 2 253.346 -0.284 20 0 CBADLP COC(=O)[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)CN1 ZINC001246661690 825703847 /nfs/dbraw/zinc/70/38/47/825703847.db2.gz RTVGDQSEOGSXDP-CYDGBPFRSA-N 2 2 267.373 -0.036 20 0 CBADLP COC(=O)[C@@H]1CC[C@H]([N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)CN1 ZINC001246661690 825703849 /nfs/dbraw/zinc/70/38/49/825703849.db2.gz RTVGDQSEOGSXDP-CYDGBPFRSA-N 2 2 267.373 -0.036 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](N2CC[NH+](C[C@H]3CCCO3)CC2)C[NH2+]1 ZINC001246774850 825710955 /nfs/dbraw/zinc/71/09/55/825710955.db2.gz GVJWRZUHDSRKSV-MCIONIFRSA-N 2 2 297.399 -0.314 20 0 CBADLP CCC[NH+]1CCN([C@H]2C[NH2+][C@H](C(=O)OC)C2)CC1 ZINC001246820241 825715971 /nfs/dbraw/zinc/71/59/71/825715971.db2.gz FXNKFQAHJQISEU-NEPJUHHUSA-N 2 2 255.362 -0.083 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)C[NH2+]1 ZINC001246822396 825717760 /nfs/dbraw/zinc/71/77/60/825717760.db2.gz ZFYQEVIDQLUNHZ-KXNHARMFSA-N 2 2 255.362 -0.086 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)C[NH2+]1 ZINC001246822396 825717765 /nfs/dbraw/zinc/71/77/65/825717765.db2.gz ZFYQEVIDQLUNHZ-KXNHARMFSA-N 2 2 255.362 -0.086 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](N2CC[C@@H]([NH3+])C(F)(F)C2)C[NH2+]1 ZINC001246832408 825719078 /nfs/dbraw/zinc/71/90/78/825719078.db2.gz BYOSEATWDLYITH-HRDYMLBCSA-N 2 2 263.288 -0.442 20 0 CBADLP O=C1NC(=O)C2(CC[NH+]([C@H]3CCC[NH2+]C3)CC2)N1 ZINC001246864074 825723883 /nfs/dbraw/zinc/72/38/83/825723883.db2.gz NAIXLKSIOJBKOP-VIFPVBQESA-N 2 2 252.318 -0.588 20 0 CBADLP C1[NH2+]CC12C[C@H]([N@@H+]1C[C@H]3CC[C@@H](C1)[NH2+]C3)CCN2 ZINC001246866362 825725812 /nfs/dbraw/zinc/72/58/12/825725812.db2.gz JNGIMFPXKJNWQF-RWMBFGLXSA-N 3 2 250.390 -0.236 20 0 CBADLP C1[NH2+]CC12C[C@H]([N@H+]1C[C@H]3CC[C@@H](C1)[NH2+]C3)CCN2 ZINC001246866362 825725815 /nfs/dbraw/zinc/72/58/15/825725815.db2.gz JNGIMFPXKJNWQF-RWMBFGLXSA-N 3 2 250.390 -0.236 20 0 CBADLP O=C1COC[C@H]2C[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)CCN12 ZINC001246866741 825726198 /nfs/dbraw/zinc/72/61/98/825726198.db2.gz GROYBQFMFTZBNX-ZGVCCVRISA-N 2 2 265.357 -0.188 20 0 CBADLP O=C1COC[C@H]2C[N@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)CCN12 ZINC001246866741 825726201 /nfs/dbraw/zinc/72/62/01/825726201.db2.gz GROYBQFMFTZBNX-ZGVCCVRISA-N 2 2 265.357 -0.188 20 0 CBADLP C[C@@H]1C[C@H]([N@@H+]2CCN3C(=O)COC[C@@H]3C2)CC[NH2+]1 ZINC001246869652 825726401 /nfs/dbraw/zinc/72/64/01/825726401.db2.gz NECVNQXZVZQBRQ-UTUOFQBUSA-N 2 2 253.346 -0.330 20 0 CBADLP C[C@@H]1C[C@H]([N@H+]2CCN3C(=O)COC[C@@H]3C2)CC[NH2+]1 ZINC001246869652 825726405 /nfs/dbraw/zinc/72/64/05/825726405.db2.gz NECVNQXZVZQBRQ-UTUOFQBUSA-N 2 2 253.346 -0.330 20 0 CBADLP COC(=O)[C@@H]1C[N@@H+]([C@@H]2CC[NH2+][C@@H](C)C2)CCN1C ZINC001246871414 825727929 /nfs/dbraw/zinc/72/79/29/825727929.db2.gz ZIBSHUOOTSETSW-TUAOUCFPSA-N 2 2 255.362 -0.084 20 0 CBADLP COC(=O)[C@@H]1C[N@H+]([C@@H]2CC[NH2+][C@@H](C)C2)CCN1C ZINC001246871414 825727932 /nfs/dbraw/zinc/72/79/32/825727932.db2.gz ZIBSHUOOTSETSW-TUAOUCFPSA-N 2 2 255.362 -0.084 20 0 CBADLP COC(=O)[C@@H]1CN(C2C[C@@H]3COC[C@H](C2)[N@@H+]3C)C[C@@H]1[NH3+] ZINC001246937317 825733897 /nfs/dbraw/zinc/73/38/97/825733897.db2.gz NCYLNCRFJDSMCF-LLUNPGSJSA-N 2 2 283.372 -0.720 20 0 CBADLP COC(=O)[C@@H]1CN(C2C[C@@H]3COC[C@H](C2)[N@H+]3C)C[C@@H]1[NH3+] ZINC001246937317 825733898 /nfs/dbraw/zinc/73/38/98/825733898.db2.gz NCYLNCRFJDSMCF-LLUNPGSJSA-N 2 2 283.372 -0.720 20 0 CBADLP COC(=O)[C@@H]1CC[C@H]([N@@H+]2CC[C@H]([NH3+])[C@@H](C(=O)OC)C2)CN1 ZINC001246940187 825736357 /nfs/dbraw/zinc/73/63/57/825736357.db2.gz DKMGTZLYZGCKNY-BJDJZHNGSA-N 2 2 299.371 -0.898 20 0 CBADLP COC(=O)[C@@H]1CC[C@H]([N@H+]2CC[C@H]([NH3+])[C@@H](C(=O)OC)C2)CN1 ZINC001246940187 825736363 /nfs/dbraw/zinc/73/63/63/825736363.db2.gz DKMGTZLYZGCKNY-BJDJZHNGSA-N 2 2 299.371 -0.898 20 0 CBADLP C1[NH2+]CC12C[C@@H]([N@@H+]1CC[C@]3(C1)C[NH2+]CCO3)CCN2 ZINC001246990643 825739986 /nfs/dbraw/zinc/73/99/86/825739986.db2.gz XAYUKFGOTBRJQB-GXTWGEPZSA-N 3 2 266.389 -0.855 20 0 CBADLP C1[NH2+]CC12C[C@@H]([N@H+]1CC[C@]3(C1)C[NH2+]CCO3)CCN2 ZINC001246990643 825739988 /nfs/dbraw/zinc/73/99/88/825739988.db2.gz XAYUKFGOTBRJQB-GXTWGEPZSA-N 3 2 266.389 -0.855 20 0 CBADLP C[NH+](C)CCNC(=S)NC[C@@H]1C[N@H+](C)CCO1 ZINC001249843881 825749738 /nfs/dbraw/zinc/74/97/38/825749738.db2.gz YYLJFKPSPSTSCM-SNVBAGLBSA-N 2 2 260.407 -0.657 20 0 CBADLP C[NH+](C)CCNC(=S)NC[C@@H]1C[N@@H+](C)CCO1 ZINC001249843881 825749743 /nfs/dbraw/zinc/74/97/43/825749743.db2.gz YYLJFKPSPSTSCM-SNVBAGLBSA-N 2 2 260.407 -0.657 20 0 CBADLP CC[N@@H+]1C[C@@H]2C[C@H]1CN2C[C@H](O)C[NH+]1CCOCC1 ZINC001251024249 825765747 /nfs/dbraw/zinc/76/57/47/825765747.db2.gz RAKNSXAQWJEOAJ-MELADBBJSA-N 2 2 269.389 -0.542 20 0 CBADLP CC[N@H+]1C[C@@H]2C[C@H]1CN2C[C@H](O)C[NH+]1CCOCC1 ZINC001251024249 825765751 /nfs/dbraw/zinc/76/57/51/825765751.db2.gz RAKNSXAQWJEOAJ-MELADBBJSA-N 2 2 269.389 -0.542 20 0 CBADLP CCOC[C@@H](O)C[NH2+]CCC(=O)NCCc1c[nH]c[nH+]1 ZINC001252048765 825816069 /nfs/dbraw/zinc/81/60/69/825816069.db2.gz BFRFSLOVEBPJNI-LBPRGKRZSA-N 2 2 284.360 -0.555 20 0 CBADLP CCOC[C@@H](O)C[NH2+]CCC(=O)NCCc1c[nH+]c[nH]1 ZINC001252048765 825816073 /nfs/dbraw/zinc/81/60/73/825816073.db2.gz BFRFSLOVEBPJNI-LBPRGKRZSA-N 2 2 284.360 -0.555 20 0 CBADLP COC1CC[NH+](C2CC[NH+](C[C@H](O)CO)CC2)CC1 ZINC001252062009 825823541 /nfs/dbraw/zinc/82/35/41/825823541.db2.gz CTCUNKJUPOCXPU-ZDUSSCGKSA-N 2 2 272.389 -0.085 20 0 CBADLP C[N@H+](C1CCOCC1)C1CC[NH+](C[C@H](O)CO)CC1 ZINC001252061517 825824330 /nfs/dbraw/zinc/82/43/30/825824330.db2.gz LOBAJKHEAZUYNB-AWEZNQCLSA-N 2 2 272.389 -0.085 20 0 CBADLP C[N@@H+](C1CCOCC1)C1CC[NH+](C[C@H](O)CO)CC1 ZINC001252061517 825824339 /nfs/dbraw/zinc/82/43/39/825824339.db2.gz LOBAJKHEAZUYNB-AWEZNQCLSA-N 2 2 272.389 -0.085 20 0 CBADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1CC[C@H](CO)[C@H](O)C1 ZINC001253180772 825902832 /nfs/dbraw/zinc/90/28/32/825902832.db2.gz JCXSRTAXHHFHFA-FRRDWIJNSA-N 2 2 260.378 -0.636 20 0 CBADLP CC[NH+](CC)C[C@H](O)C[N@H+]1CC[C@H](CO)[C@H](O)C1 ZINC001253180772 825902838 /nfs/dbraw/zinc/90/28/38/825902838.db2.gz JCXSRTAXHHFHFA-FRRDWIJNSA-N 2 2 260.378 -0.636 20 0 CBADLP CC[NH+](CC)C[C@H](O)C[NH2+]CCN1CC[NH+](C)CC1 ZINC001253201869 825904162 /nfs/dbraw/zinc/90/41/62/825904162.db2.gz AJLHSQFWJKHFPJ-CQSZACIVSA-N 3 2 272.437 -0.474 20 0 CBADLP CC[NH+](CC)C[C@H](O)CNC(=[NH2+])N1CC[NH+](C)CC1 ZINC001253207359 825905304 /nfs/dbraw/zinc/90/53/04/825905304.db2.gz FOJUDCFDMJLLOX-GFCCVEGCSA-N 3 2 271.409 -0.539 20 0 CBADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CC[C@H](O)[C@H](CO)C1 ZINC001253389607 825911074 /nfs/dbraw/zinc/91/10/74/825911074.db2.gz FXLZKGDJXGUWCT-TUAOUCFPSA-N 2 2 260.378 -0.590 20 0 CBADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CC[C@H](O)[C@H](CO)C1 ZINC001253389607 825911083 /nfs/dbraw/zinc/91/10/83/825911083.db2.gz FXLZKGDJXGUWCT-TUAOUCFPSA-N 2 2 260.378 -0.590 20 0 CBADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CC[C@](C)(CO)[C@@H](O)C1 ZINC001253390943 825912180 /nfs/dbraw/zinc/91/21/80/825912180.db2.gz ZOAORHQKEMQOBU-MBNYWOFBSA-N 2 2 274.405 -0.199 20 0 CBADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CC[C@](C)(CO)[C@@H](O)C1 ZINC001253390943 825912183 /nfs/dbraw/zinc/91/21/83/825912183.db2.gz ZOAORHQKEMQOBU-MBNYWOFBSA-N 2 2 274.405 -0.199 20 0 CBADLP C[N@@H+]1CCO[C@@H](CNC[C@H](O)C[NH2+]C(C)(C)C)C1 ZINC001253405720 825913185 /nfs/dbraw/zinc/91/31/85/825913185.db2.gz LWURSUDMEXOFLT-RYUDHWBXSA-N 2 2 259.394 -0.344 20 0 CBADLP C[N@H+]1CCO[C@@H](CNC[C@H](O)C[NH2+]C(C)(C)C)C1 ZINC001253405720 825913191 /nfs/dbraw/zinc/91/31/91/825913191.db2.gz LWURSUDMEXOFLT-RYUDHWBXSA-N 2 2 259.394 -0.344 20 0 CBADLP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]CCN1CCCS1(=O)=O ZINC001253411899 825915207 /nfs/dbraw/zinc/91/52/07/825915207.db2.gz YODPIMRKCYSCLC-NSHDSACASA-N 2 2 293.433 -0.640 20 0 CBADLP C[N@@H+]1CCC[C@H]([NH+]2CCN(CC(N)=O)CC2)CC1 ZINC001254526454 825965625 /nfs/dbraw/zinc/96/56/25/825965625.db2.gz RRUJIGAFIMLYOE-LBPRGKRZSA-N 2 2 254.378 -0.426 20 0 CBADLP C[N@H+]1CCC[C@H]([NH+]2CCN(CC(N)=O)CC2)CC1 ZINC001254526454 825965630 /nfs/dbraw/zinc/96/56/30/825965630.db2.gz RRUJIGAFIMLYOE-LBPRGKRZSA-N 2 2 254.378 -0.426 20 0 CBADLP COC(=O)CC[C@H]([NH2+][C@H]1CCC[N@H+](C)CC1)C(N)=O ZINC001254510727 825966471 /nfs/dbraw/zinc/96/64/71/825966471.db2.gz PNMPHUQCHLYYCX-QWRGUYRKSA-N 2 2 271.361 -0.133 20 0 CBADLP COC(=O)CC[C@H]([NH2+][C@H]1CCC[N@@H+](C)CC1)C(N)=O ZINC001254510727 825966473 /nfs/dbraw/zinc/96/64/73/825966473.db2.gz PNMPHUQCHLYYCX-QWRGUYRKSA-N 2 2 271.361 -0.133 20 0 CBADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)N[C@@H]1CC[N@H+](C)C1 ZINC001255419020 825980973 /nfs/dbraw/zinc/98/09/73/825980973.db2.gz GHQCVLRDNKCSBL-ZYHUDNBSSA-N 2 2 266.345 -0.202 20 0 CBADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)N[C@@H]1CC[N@@H+](C)C1 ZINC001255419020 825980976 /nfs/dbraw/zinc/98/09/76/825980976.db2.gz GHQCVLRDNKCSBL-ZYHUDNBSSA-N 2 2 266.345 -0.202 20 0 CBADLP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)C(=O)NCC(N)=O ZINC001256071851 826000656 /nfs/dbraw/zinc/00/06/56/826000656.db2.gz RXIFDDBYPKVSKD-VIFPVBQESA-N 2 2 268.361 -0.807 20 0 CBADLP C[C@H](CC(=O)N1CCOCC1)[N@@H+]1CCO[C@@H](C[NH3+])C1 ZINC001256321372 826009437 /nfs/dbraw/zinc/00/94/37/826009437.db2.gz JTTFANUEYXFCGV-NEPJUHHUSA-N 2 2 271.361 -0.717 20 0 CBADLP C[C@H](CC(=O)N1CCOCC1)[N@H+]1CCO[C@@H](C[NH3+])C1 ZINC001256321372 826009445 /nfs/dbraw/zinc/00/94/45/826009445.db2.gz JTTFANUEYXFCGV-NEPJUHHUSA-N 2 2 271.361 -0.717 20 0 CBADLP OCC(CO)(CO)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC001256598428 826027186 /nfs/dbraw/zinc/02/71/86/826027186.db2.gz ZAWMVXVPDXUDFD-UHFFFAOYSA-N 2 2 294.395 -0.044 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001261492600 826524687 /nfs/dbraw/zinc/52/46/87/826524687.db2.gz LWMBXOWBKSTEEK-CABCVRRESA-N 2 2 282.432 -0.313 20 0 CBADLP [NH3+]CC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001261501509 826528203 /nfs/dbraw/zinc/52/82/03/826528203.db2.gz DDMXSOLJVXQMMB-UHFFFAOYSA-N 2 2 253.306 -0.888 20 0 CBADLP O=C(C1CC[NH2+]CC1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC001261644325 826554096 /nfs/dbraw/zinc/55/40/96/826554096.db2.gz XZHKFHJAVIMPBL-ZDUSSCGKSA-N 2 2 267.373 -0.081 20 0 CBADLP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC001261836710 826595055 /nfs/dbraw/zinc/59/50/55/826595055.db2.gz JTXNPKZKTTWNAS-FQUUOJAGSA-N 3 2 298.431 -0.332 20 0 CBADLP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC001261836710 826595059 /nfs/dbraw/zinc/59/50/59/826595059.db2.gz JTXNPKZKTTWNAS-FQUUOJAGSA-N 3 2 298.431 -0.332 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21 ZINC001261892582 826605170 /nfs/dbraw/zinc/60/51/70/826605170.db2.gz QKYWQRXXEQQPPE-RWMBFGLXSA-N 3 2 268.405 -0.406 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21 ZINC001261892582 826605173 /nfs/dbraw/zinc/60/51/73/826605173.db2.gz QKYWQRXXEQQPPE-RWMBFGLXSA-N 3 2 268.405 -0.406 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC1(C[NH3+])CCOCC1 ZINC001262008858 826618323 /nfs/dbraw/zinc/61/83/23/826618323.db2.gz ANNPMOZOYFJUGY-UHFFFAOYSA-N 2 2 252.318 -0.115 20 0 CBADLP NC(=O)C[N@@H+]1CCC[C@H](NC(=O)CCC2C[NH2+]C2)C1 ZINC001262007902 826618613 /nfs/dbraw/zinc/61/86/13/826618613.db2.gz VNBRXDAJKLOLCP-NSHDSACASA-N 2 2 268.361 -0.948 20 0 CBADLP NC(=O)C[N@H+]1CCC[C@H](NC(=O)CCC2C[NH2+]C2)C1 ZINC001262007902 826618621 /nfs/dbraw/zinc/61/86/21/826618621.db2.gz VNBRXDAJKLOLCP-NSHDSACASA-N 2 2 268.361 -0.948 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCN1C(=O)N[C@@H](C[NH+](C)C)C1=O ZINC001262199650 826660124 /nfs/dbraw/zinc/66/01/24/826660124.db2.gz VHJCTCLPJFQAQP-QWRGUYRKSA-N 2 2 284.360 -0.811 20 0 CBADLP C[C@H]1COCC[N@H+]1CCN1C(=O)N[C@@H](C[NH+](C)C)C1=O ZINC001262199650 826660127 /nfs/dbraw/zinc/66/01/27/826660127.db2.gz VHJCTCLPJFQAQP-QWRGUYRKSA-N 2 2 284.360 -0.811 20 0 CBADLP CC[NH+]1CCN(CC[NH2+]C[C@H](C)S(C)(=O)=O)CC1 ZINC001262562017 826708520 /nfs/dbraw/zinc/70/85/20/826708520.db2.gz MTCIYHGTOOJXNG-LBPRGKRZSA-N 2 2 277.434 -0.353 20 0 CBADLP CN1CC[N@H+](C)[C@H](CNC(=O)CCSCCC[NH3+])C1 ZINC001263103877 826737978 /nfs/dbraw/zinc/73/79/78/826737978.db2.gz PIEPROKFBORMTL-GFCCVEGCSA-N 2 2 288.461 -0.180 20 0 CBADLP CN1CC[N@@H+](C)[C@H](CNC(=O)CCSCCC[NH3+])C1 ZINC001263103877 826737984 /nfs/dbraw/zinc/73/79/84/826737984.db2.gz PIEPROKFBORMTL-GFCCVEGCSA-N 2 2 288.461 -0.180 20 0 CBADLP Cc1cc(C[NH3+])oc1C(=O)N1CC[NH2+]C[C@H]1CO ZINC001263180770 826750584 /nfs/dbraw/zinc/75/05/84/826750584.db2.gz URWPGQAKCKWGQW-VIFPVBQESA-N 2 2 253.302 -0.547 20 0 CBADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1CC[NH2+]C[C@H]1CO ZINC001263180046 826750614 /nfs/dbraw/zinc/75/06/14/826750614.db2.gz CFVDCMQVTAJXMP-JQWIXIFHSA-N 2 2 264.329 -0.762 20 0 CBADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CC[NH2+]C[C@@H]1CO ZINC001263180048 826750653 /nfs/dbraw/zinc/75/06/53/826750653.db2.gz CFVDCMQVTAJXMP-ZYHUDNBSSA-N 2 2 264.329 -0.762 20 0 CBADLP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCc1c[nH+]cn1C ZINC001263858093 826786194 /nfs/dbraw/zinc/78/61/94/826786194.db2.gz VXJQUJMKHFSKJW-PWSUYJOCSA-N 2 2 263.345 -0.575 20 0 CBADLP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCc1c[nH+]cn1C ZINC001263858093 826786196 /nfs/dbraw/zinc/78/61/96/826786196.db2.gz VXJQUJMKHFSKJW-PWSUYJOCSA-N 2 2 263.345 -0.575 20 0 CBADLP C[C@@H](O)C[N@H+](C)CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001265040640 826838707 /nfs/dbraw/zinc/83/87/07/826838707.db2.gz DKLIEZGTVSSXSV-SNVBAGLBSA-N 2 2 254.334 -0.229 20 0 CBADLP C[C@@H](O)C[N@@H+](C)CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001265040640 826838717 /nfs/dbraw/zinc/83/87/17/826838717.db2.gz DKLIEZGTVSSXSV-SNVBAGLBSA-N 2 2 254.334 -0.229 20 0 CBADLP C[N@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)[C@H]1CCCNC1=O ZINC001265050651 826843393 /nfs/dbraw/zinc/84/33/93/826843393.db2.gz FIAQKTIVQQOJOR-NSHDSACASA-N 2 2 293.371 -0.331 20 0 CBADLP C[N@@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)[C@H]1CCCNC1=O ZINC001265050651 826843403 /nfs/dbraw/zinc/84/34/03/826843403.db2.gz FIAQKTIVQQOJOR-NSHDSACASA-N 2 2 293.371 -0.331 20 0 CBADLP C[N@H+](CCCNC(=O)Cn1cc[nH+]c1)CC(=O)NC1CC1 ZINC001265076222 826846421 /nfs/dbraw/zinc/84/64/21/826846421.db2.gz PHSDDRPGWCQXIY-UHFFFAOYSA-N 2 2 293.371 -0.400 20 0 CBADLP C[N@@H+](CCCNC(=O)Cn1cc[nH+]c1)CC(=O)NC1CC1 ZINC001265076222 826846427 /nfs/dbraw/zinc/84/64/27/826846427.db2.gz PHSDDRPGWCQXIY-UHFFFAOYSA-N 2 2 293.371 -0.400 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC[C@@H]([NH2+]CCCO)C1CC1 ZINC001265378343 826887354 /nfs/dbraw/zinc/88/73/54/826887354.db2.gz JVVXWKSYZDPENK-CYBMUJFWSA-N 2 2 280.372 -0.171 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@H]([NH2+]CCCO)C1 ZINC001265504799 826900716 /nfs/dbraw/zinc/90/07/16/826900716.db2.gz JNVPYBHSJHMQOL-XYPYZODXSA-N 2 2 266.345 -0.120 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)[NH2+]CCO ZINC001265792189 826919686 /nfs/dbraw/zinc/91/96/86/826919686.db2.gz JEVMIAJIUYJYKA-WDEREUQCSA-N 2 2 266.345 -0.468 20 0 CBADLP CNC(=O)C[NH2+][C@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001265806298 826921515 /nfs/dbraw/zinc/92/15/15/826921515.db2.gz AQSCHJJQPPUJQZ-SNVBAGLBSA-N 2 2 267.333 -0.887 20 0 CBADLP CNC(=O)C[NH2+][C@@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001265806297 826921994 /nfs/dbraw/zinc/92/19/94/826921994.db2.gz AQSCHJJQPPUJQZ-JTQLQIEISA-N 2 2 267.333 -0.887 20 0 CBADLP CC[C@H]([NH2+][C@@H](C)CNC(=O)Cn1cc[nH+]c1)C(N)=O ZINC001265873354 826931776 /nfs/dbraw/zinc/93/17/76/826931776.db2.gz RZRCQMUUJNPGFT-UWVGGRQHSA-N 2 2 267.333 -0.759 20 0 CBADLP C[C@H](O)C[N@H+](C)CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001265945128 826939893 /nfs/dbraw/zinc/93/98/93/826939893.db2.gz ZWBQONNJDUZZDG-JTQLQIEISA-N 2 2 254.334 -0.229 20 0 CBADLP C[C@H](O)C[N@@H+](C)CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001265945128 826939895 /nfs/dbraw/zinc/93/98/95/826939895.db2.gz ZWBQONNJDUZZDG-JTQLQIEISA-N 2 2 254.334 -0.229 20 0 CBADLP CN1CC[C@@H]([N@H+](C)CCCNC(=O)Cn2cc[nH+]c2)C1=O ZINC001265984349 826944080 /nfs/dbraw/zinc/94/40/80/826944080.db2.gz SLJNMCXNJMQCHH-GFCCVEGCSA-N 2 2 293.371 -0.448 20 0 CBADLP CN1CC[C@@H]([N@@H+](C)CCCNC(=O)Cn2cc[nH+]c2)C1=O ZINC001265984349 826944084 /nfs/dbraw/zinc/94/40/84/826944084.db2.gz SLJNMCXNJMQCHH-GFCCVEGCSA-N 2 2 293.371 -0.448 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCCC[N@H+](CC(N)=O)C1CC1 ZINC001266172046 826958560 /nfs/dbraw/zinc/95/85/60/826958560.db2.gz WFWATLFHJYWTAP-UHFFFAOYSA-N 2 2 293.371 -0.283 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCCC[N@@H+](CC(N)=O)C1CC1 ZINC001266172046 826958562 /nfs/dbraw/zinc/95/85/62/826958562.db2.gz WFWATLFHJYWTAP-UHFFFAOYSA-N 2 2 293.371 -0.283 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC[C@@H]([NH2+]CCO)C1CC1 ZINC001266439948 827000809 /nfs/dbraw/zinc/00/08/09/827000809.db2.gz ZYKSELGGAQFADB-GFCCVEGCSA-N 2 2 266.345 -0.561 20 0 CBADLP O=C(CCn1cc[nH+]c1)N[C@H]1C[C@@H]([NH2+]CCCO)C1 ZINC001266703470 827055622 /nfs/dbraw/zinc/05/56/22/827055622.db2.gz KDFHRDPZJBWVOV-TXEJJXNPSA-N 2 2 266.345 -0.108 20 0 CBADLP CN(C)C(=O)C[NH2+]CCN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001266720440 827058978 /nfs/dbraw/zinc/05/89/78/827058978.db2.gz KCVIORNJOINQCN-UHFFFAOYSA-N 2 2 281.360 -0.522 20 0 CBADLP CN(CC[NH2+]CCO)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001266746116 827061601 /nfs/dbraw/zinc/06/16/01/827061601.db2.gz SGMLHOGUSJQRII-LLVKDONJSA-N 2 2 266.345 -0.514 20 0 CBADLP Cc1noc(C[NH2+][C@@H](C)CNC(=O)CC[NH+](C)C)n1 ZINC001266969060 827100328 /nfs/dbraw/zinc/10/03/28/827100328.db2.gz ZEDSZLBSKHOTMD-VIFPVBQESA-N 2 2 269.349 -0.076 20 0 CBADLP CN(CC[NH2+]Cc1nccn1C)C(=O)Cc1c[nH+]cn1C ZINC001266989424 827103363 /nfs/dbraw/zinc/10/33/63/827103363.db2.gz XQLFSONVLQBODW-UHFFFAOYSA-N 2 2 290.371 -0.056 20 0 CBADLP COCC[NH2+]CCN(C)C(=O)Cc1c[nH+]cn1C ZINC001266989512 827103875 /nfs/dbraw/zinc/10/38/75/827103875.db2.gz ZINJQDLAYTXRNT-UHFFFAOYSA-N 2 2 254.334 -0.343 20 0 CBADLP CCC[NH+](C)CC(=O)NCC[N@H+](C)CC(=O)NC ZINC001267226339 827133010 /nfs/dbraw/zinc/13/30/10/827133010.db2.gz FSBBPOGICUWFNC-UHFFFAOYSA-N 2 2 258.366 -0.878 20 0 CBADLP CCC[NH+](C)CC(=O)NCC[N@@H+](C)CC(=O)NC ZINC001267226339 827133014 /nfs/dbraw/zinc/13/30/14/827133014.db2.gz FSBBPOGICUWFNC-UHFFFAOYSA-N 2 2 258.366 -0.878 20 0 CBADLP CCC[N@H+](C)CC(=O)NCC[NH+](C)CC(=O)NC ZINC001267226339 827133001 /nfs/dbraw/zinc/13/30/01/827133001.db2.gz FSBBPOGICUWFNC-UHFFFAOYSA-N 2 2 258.366 -0.878 20 0 CBADLP CCC[N@@H+](C)CC(=O)NCC[NH+](C)CC(=O)NC ZINC001267226339 827133006 /nfs/dbraw/zinc/13/30/06/827133006.db2.gz FSBBPOGICUWFNC-UHFFFAOYSA-N 2 2 258.366 -0.878 20 0 CBADLP CC[N@H+](CCNC(=O)Cc1c[nH]c[nH+]1)C[C@@H](C)O ZINC001267250438 827139218 /nfs/dbraw/zinc/13/92/18/827139218.db2.gz JKHMXTWQABQPMO-SNVBAGLBSA-N 2 2 254.334 -0.229 20 0 CBADLP CC[N@@H+](CCNC(=O)Cc1c[nH]c[nH+]1)C[C@@H](C)O ZINC001267250438 827139219 /nfs/dbraw/zinc/13/92/19/827139219.db2.gz JKHMXTWQABQPMO-SNVBAGLBSA-N 2 2 254.334 -0.229 20 0 CBADLP C[C@H](O)C[N@H+](CCNC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001267333571 827151249 /nfs/dbraw/zinc/15/12/49/827151249.db2.gz GCZDPMWGVVUOAX-JTQLQIEISA-N 2 2 266.345 -0.086 20 0 CBADLP C[C@H](O)C[N@@H+](CCNC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001267333571 827151251 /nfs/dbraw/zinc/15/12/51/827151251.db2.gz GCZDPMWGVVUOAX-JTQLQIEISA-N 2 2 266.345 -0.086 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N(C)CC[NH2+]CC(=O)NC1CC1 ZINC001267461665 827173557 /nfs/dbraw/zinc/17/35/57/827173557.db2.gz YNRKBGBYRLWACK-UHFFFAOYSA-N 2 2 293.371 -0.413 20 0 CBADLP CC(C)NC(=O)C[NH2+]CCN(C)C(=O)Cc1c[nH+]cn1C ZINC001267455727 827174539 /nfs/dbraw/zinc/17/45/39/827174539.db2.gz DGVRFXPMJNWFIW-UHFFFAOYSA-N 2 2 295.387 -0.465 20 0 CBADLP CC[C@H]([NH2+]CCN(C)C(=O)Cn1cc[nH+]c1)C(N)=O ZINC001267479385 827177006 /nfs/dbraw/zinc/17/70/06/827177006.db2.gz TXSZJVCKCUQZTI-JTQLQIEISA-N 2 2 267.333 -0.805 20 0 CBADLP C[NH+](C)CCCCC(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001267619804 827185590 /nfs/dbraw/zinc/18/55/90/827185590.db2.gz FCHQLIONXCTMAF-GFCCVEGCSA-N 2 2 284.404 -0.216 20 0 CBADLP C[NH+](C)CCCCC(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001267619804 827185592 /nfs/dbraw/zinc/18/55/92/827185592.db2.gz FCHQLIONXCTMAF-GFCCVEGCSA-N 2 2 284.404 -0.216 20 0 CBADLP C[C@@H](F)CC[NH2+]C[C@@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001268336264 827307511 /nfs/dbraw/zinc/30/75/11/827307511.db2.gz CXNKVMANJAVDCO-GHMZBOCLSA-N 2 2 272.324 -0.302 20 0 CBADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC/C=C/C[NH2+]CC(N)=O ZINC001268593503 827375307 /nfs/dbraw/zinc/37/53/07/827375307.db2.gz YUOZUGGMLOVYAW-WUNPDAOYSA-N 2 2 291.355 -0.729 20 0 CBADLP CNC(=O)C[NH2+]C/C=C/CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001268600396 827376767 /nfs/dbraw/zinc/37/67/67/827376767.db2.gz ZPLVTEQBTDWOLR-AAOUONPWSA-N 2 2 293.371 -0.158 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]C/C=C\CNC(=O)Cc1[nH]cc[nH+]1 ZINC001268607387 827379227 /nfs/dbraw/zinc/37/92/27/827379227.db2.gz HXEYJLMWEBZZAJ-XOULXFPDSA-N 2 2 279.344 -0.651 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NC/C=C\C[NH2+]Cc1nnnn1C ZINC001268630041 827381725 /nfs/dbraw/zinc/38/17/25/827381725.db2.gz DJXLJHQRIZSTBG-WAYWQWQTSA-N 2 2 295.391 -0.688 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NC/C=C\C[NH2+]Cc1nnnn1C ZINC001268630041 827381736 /nfs/dbraw/zinc/38/17/36/827381736.db2.gz DJXLJHQRIZSTBG-WAYWQWQTSA-N 2 2 295.391 -0.688 20 0 CBADLP C[C@H](C[NH2+]CC(N)=O)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001268663247 827395731 /nfs/dbraw/zinc/39/57/31/827395731.db2.gz KSQFUECSPDVHMY-ZJUUUORDSA-N 2 2 267.333 -0.586 20 0 CBADLP CC[C@@H]([NH2+]C[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1)C(N)=O ZINC001268667576 827398765 /nfs/dbraw/zinc/39/87/65/827398765.db2.gz OSSAICZLINCYDK-RKDXNWHRSA-N 2 2 267.333 -0.690 20 0 CBADLP C[C@@H](C[NH2+]CCCO)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001268689968 827403494 /nfs/dbraw/zinc/40/34/94/827403494.db2.gz JRFCZEODRGQSDZ-HBNTYKKESA-N 2 2 266.345 -0.010 20 0 CBADLP C[C@@H](C[NH2+]CCCO)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001268689968 827403499 /nfs/dbraw/zinc/40/34/99/827403499.db2.gz JRFCZEODRGQSDZ-HBNTYKKESA-N 2 2 266.345 -0.010 20 0 CBADLP CN(CCC[NH2+]Cc1cnon1)C(=O)Cc1c[nH+]c[nH]1 ZINC001268861571 827433040 /nfs/dbraw/zinc/43/30/40/827433040.db2.gz XQRRCVIZKZBXKZ-UHFFFAOYSA-N 2 2 278.316 -0.027 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)N[C@H](C[NH2+]CCCO)C1CC1 ZINC001269119853 827467071 /nfs/dbraw/zinc/46/70/71/827467071.db2.gz CTEKBFRDISKNPH-GFCCVEGCSA-N 2 2 266.345 -0.181 20 0 CBADLP CC[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CC(=O)NC ZINC001269485697 827514135 /nfs/dbraw/zinc/51/41/35/827514135.db2.gz BKOYSQCEHZJTJK-VIFPVBQESA-N 2 2 267.333 -0.817 20 0 CBADLP O=C(CCCn1cc[nH+]c1)NCC1([NH2+]CCO)CC1 ZINC001269544813 827517541 /nfs/dbraw/zinc/51/75/41/827517541.db2.gz TVVQRECMVBNKRV-UHFFFAOYSA-N 2 2 266.345 -0.106 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@](C)(C[NH2+]CCCO)C2CC2)C1 ZINC001269605854 827521969 /nfs/dbraw/zinc/52/19/69/827521969.db2.gz JPZIKVVOFJPBDT-HIFRSBDPSA-N 2 2 299.415 -0.426 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@](C)(C[NH2+]CCCO)C2CC2)C1 ZINC001269605854 827521972 /nfs/dbraw/zinc/52/19/72/827521972.db2.gz JPZIKVVOFJPBDT-HIFRSBDPSA-N 2 2 299.415 -0.426 20 0 CBADLP C[C@H](O)C[NH2+]C[C@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001270159365 827551569 /nfs/dbraw/zinc/55/15/69/827551569.db2.gz RXIIMURBSFEYRG-WDEREUQCSA-N 2 2 266.345 -0.086 20 0 CBADLP C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](CO)n3cc[nH+]c3)[C@@H]2C1 ZINC001270399804 827563026 /nfs/dbraw/zinc/56/30/26/827563026.db2.gz VPCFMLJFMDFCLD-TUAOUCFPSA-N 2 2 264.329 -0.421 20 0 CBADLP C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](CO)n3cc[nH+]c3)[C@@H]2C1 ZINC001270399804 827563030 /nfs/dbraw/zinc/56/30/30/827563030.db2.gz VPCFMLJFMDFCLD-TUAOUCFPSA-N 2 2 264.329 -0.421 20 0 CBADLP C[N@@H+]1CCC2(CN(C(=O)[C@H](CO)n3cc[nH+]c3)C2)C1 ZINC001270399251 827563187 /nfs/dbraw/zinc/56/31/87/827563187.db2.gz NDFIHSIBOCTRCJ-NSHDSACASA-N 2 2 264.329 -0.419 20 0 CBADLP C[N@H+]1CCC2(CN(C(=O)[C@H](CO)n3cc[nH+]c3)C2)C1 ZINC001270399251 827563191 /nfs/dbraw/zinc/56/31/91/827563191.db2.gz NDFIHSIBOCTRCJ-NSHDSACASA-N 2 2 264.329 -0.419 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](C)C[C@H](C1)O2 ZINC001270670466 827587437 /nfs/dbraw/zinc/58/74/37/827587437.db2.gz QVDVGPXZSBIBGI-TUAOUCFPSA-N 2 2 253.346 -0.378 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](C)C[C@H](C1)O2 ZINC001270670466 827587440 /nfs/dbraw/zinc/58/74/40/827587440.db2.gz QVDVGPXZSBIBGI-TUAOUCFPSA-N 2 2 253.346 -0.378 20 0 CBADLP C[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](C)C[C@H](C1)O2 ZINC001270670466 827587442 /nfs/dbraw/zinc/58/74/42/827587442.db2.gz QVDVGPXZSBIBGI-TUAOUCFPSA-N 2 2 253.346 -0.378 20 0 CBADLP C[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](C)C[C@H](C1)O2 ZINC001270670466 827587444 /nfs/dbraw/zinc/58/74/44/827587444.db2.gz QVDVGPXZSBIBGI-TUAOUCFPSA-N 2 2 253.346 -0.378 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NCC1([NH2+]CCCO)CCOCC1 ZINC001271073133 827619677 /nfs/dbraw/zinc/61/96/77/827619677.db2.gz YZCPNICXBFDUGE-UHFFFAOYSA-N 2 2 296.371 -0.410 20 0 CBADLP COCC[NH2+]C1(CNC(=O)Cn2cc[nH+]c2)CCOCC1 ZINC001271087002 827621450 /nfs/dbraw/zinc/62/14/50/827621450.db2.gz TZWOXCHNQRSGOV-UHFFFAOYSA-N 2 2 296.371 -0.216 20 0 CBADLP CC[NH+]1CC(O)(CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001271374308 827696702 /nfs/dbraw/zinc/69/67/02/827696702.db2.gz IYRKUZTVGWAYET-UHFFFAOYSA-N 2 2 269.389 -0.099 20 0 CBADLP C[N@@H+]1C[C@@H](O)C[C@H]1C(=O)N1[C@@H]2CC[C@H]1C[NH+](C)C2 ZINC001272273879 827775721 /nfs/dbraw/zinc/77/57/21/827775721.db2.gz ZRTGLWSLLYIQLF-USZNOCQGSA-N 2 2 253.346 -0.644 20 0 CBADLP C[N@H+]1C[C@@H](O)C[C@H]1C(=O)N1[C@@H]2CC[C@H]1C[NH+](C)C2 ZINC001272273879 827775731 /nfs/dbraw/zinc/77/57/31/827775731.db2.gz ZRTGLWSLLYIQLF-USZNOCQGSA-N 2 2 253.346 -0.644 20 0 CBADLP C[NH+]1C[C@@H](O)C[C@H]1C(=O)N1[C@@H]2CC[C@H]1C[N@@H+](C)C2 ZINC001272273879 827775736 /nfs/dbraw/zinc/77/57/36/827775736.db2.gz ZRTGLWSLLYIQLF-USZNOCQGSA-N 2 2 253.346 -0.644 20 0 CBADLP C[NH+]1C[C@@H](O)C[C@H]1C(=O)N1[C@@H]2CC[C@H]1C[N@H+](C)C2 ZINC001272273879 827775741 /nfs/dbraw/zinc/77/57/41/827775741.db2.gz ZRTGLWSLLYIQLF-USZNOCQGSA-N 2 2 253.346 -0.644 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H](O)C[NH2+]CC1CCC1 ZINC001272552083 827819531 /nfs/dbraw/zinc/81/95/31/827819531.db2.gz BDEGPPWUTDBWBZ-NSHDSACASA-N 2 2 266.345 -0.181 20 0 CBADLP C[NH+](C)CCN1CC[C@@]2(CC[N@H+](Cc3cnn[nH]3)C2)C1=O ZINC001272570511 827822738 /nfs/dbraw/zinc/82/27/38/827822738.db2.gz UPYVAHCYZOCBMB-CQSZACIVSA-N 2 2 292.387 -0.209 20 0 CBADLP C[NH+](C)CCN1CC[C@@]2(CC[N@@H+](Cc3cnn[nH]3)C2)C1=O ZINC001272570511 827822743 /nfs/dbraw/zinc/82/27/43/827822743.db2.gz UPYVAHCYZOCBMB-CQSZACIVSA-N 2 2 292.387 -0.209 20 0 CBADLP C[NH+](C)CCN1CC[C@@]2(CC[N@H+](Cc3c[nH]nn3)C2)C1=O ZINC001272570511 827822752 /nfs/dbraw/zinc/82/27/52/827822752.db2.gz UPYVAHCYZOCBMB-CQSZACIVSA-N 2 2 292.387 -0.209 20 0 CBADLP C[NH+](C)CCN1CC[C@@]2(CC[N@@H+](Cc3c[nH]nn3)C2)C1=O ZINC001272570511 827822761 /nfs/dbraw/zinc/82/27/61/827822761.db2.gz UPYVAHCYZOCBMB-CQSZACIVSA-N 2 2 292.387 -0.209 20 0 CBADLP C[NH+](C)CCN1CC[C@@]2(CC[N@H+](Cc3cn[nH]n3)C2)C1=O ZINC001272570511 827822771 /nfs/dbraw/zinc/82/27/71/827822771.db2.gz UPYVAHCYZOCBMB-CQSZACIVSA-N 2 2 292.387 -0.209 20 0 CBADLP C[NH+](C)CCN1CC[C@@]2(CC[N@@H+](Cc3cn[nH]n3)C2)C1=O ZINC001272570511 827822781 /nfs/dbraw/zinc/82/27/81/827822781.db2.gz UPYVAHCYZOCBMB-CQSZACIVSA-N 2 2 292.387 -0.209 20 0 CBADLP C[C@@H](CC[NH2+]CCO)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001272872545 827846202 /nfs/dbraw/zinc/84/62/02/827846202.db2.gz BOBRJWDIJYOBLB-RYUDHWBXSA-N 2 2 280.372 -0.078 20 0 CBADLP C[C@H](CC[NH2+]CCO)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001272872542 827846344 /nfs/dbraw/zinc/84/63/44/827846344.db2.gz BOBRJWDIJYOBLB-NEPJUHHUSA-N 2 2 280.372 -0.078 20 0 CBADLP C[C@H](CC[NH2+]CC(=O)N(C)C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001273043092 827859159 /nfs/dbraw/zinc/85/91/59/827859159.db2.gz ALOPCVAPIDILSM-SNVBAGLBSA-N 2 2 281.360 -0.475 20 0 CBADLP C[N@@H+]1CCO[C@]2(CCCN(C(=O)C[NH+]3CC[C@H](O)C3)C2)C1 ZINC001273069985 827862038 /nfs/dbraw/zinc/86/20/38/827862038.db2.gz OVYZWRPFBFZIAE-DZGCQCFKSA-N 2 2 297.399 -0.624 20 0 CBADLP C[N@H+]1CCO[C@]2(CCCN(C(=O)C[NH+]3CC[C@H](O)C3)C2)C1 ZINC001273069985 827862041 /nfs/dbraw/zinc/86/20/41/827862041.db2.gz OVYZWRPFBFZIAE-DZGCQCFKSA-N 2 2 297.399 -0.624 20 0 CBADLP C[NH+]1CCO[C@]2(CCCN(C(=O)C[N@@H+]3CC[C@H](O)C3)C2)C1 ZINC001273069985 827862051 /nfs/dbraw/zinc/86/20/51/827862051.db2.gz OVYZWRPFBFZIAE-DZGCQCFKSA-N 2 2 297.399 -0.624 20 0 CBADLP C[NH+]1CCO[C@]2(CCCN(C(=O)C[N@H+]3CC[C@H](O)C3)C2)C1 ZINC001273069985 827862059 /nfs/dbraw/zinc/86/20/59/827862059.db2.gz OVYZWRPFBFZIAE-DZGCQCFKSA-N 2 2 297.399 -0.624 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NCC1([NH2+]CCCO)CCC1 ZINC001273173120 827870731 /nfs/dbraw/zinc/87/07/31/827870731.db2.gz DBZQKDJEURLWJK-UHFFFAOYSA-N 2 2 266.345 -0.037 20 0 CBADLP C[NH+](C)CCC[N@@H+]1CC[C@]2(C1)CN(C1COC1)C(=O)CO2 ZINC001273713685 827921784 /nfs/dbraw/zinc/92/17/84/827921784.db2.gz KFZHCABROOOHLU-HNNXBMFYSA-N 2 2 297.399 -0.360 20 0 CBADLP C[NH+](C)CCC[N@H+]1CC[C@]2(C1)CN(C1COC1)C(=O)CO2 ZINC001273713685 827921790 /nfs/dbraw/zinc/92/17/90/827921790.db2.gz KFZHCABROOOHLU-HNNXBMFYSA-N 2 2 297.399 -0.360 20 0 CBADLP CN1C[C@]2(CC[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)OCC1=O ZINC001273868428 827933148 /nfs/dbraw/zinc/93/31/48/827933148.db2.gz QTBXVWMQYQXFQH-DOMZBBRYSA-N 2 2 299.415 -0.332 20 0 CBADLP CN1C[C@]2(CC[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)OCC1=O ZINC001273868428 827933152 /nfs/dbraw/zinc/93/31/52/827933152.db2.gz QTBXVWMQYQXFQH-DOMZBBRYSA-N 2 2 299.415 -0.332 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC1(C[NH2+]CCCO)CCOCC1 ZINC001274020933 827954290 /nfs/dbraw/zinc/95/42/90/827954290.db2.gz LTRROASHGBYTAT-UHFFFAOYSA-N 2 2 296.371 -0.480 20 0 CBADLP NC(=O)C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCn1cc[nH+]c1 ZINC001274062680 827963352 /nfs/dbraw/zinc/96/33/52/827963352.db2.gz VALNPGYHXTVRPO-VXGBXAGGSA-N 2 2 291.355 -0.566 20 0 CBADLP NC(=O)C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCn1cc[nH+]c1 ZINC001274062680 827963358 /nfs/dbraw/zinc/96/33/58/827963358.db2.gz VALNPGYHXTVRPO-VXGBXAGGSA-N 2 2 291.355 -0.566 20 0 CBADLP NC(=O)C[NH2+]C/C=C\CNC(=O)CCn1cc[nH+]c1 ZINC001274244088 827977914 /nfs/dbraw/zinc/97/79/14/827977914.db2.gz HXJDKCQDPLGWDZ-UPHRSURJSA-N 2 2 265.317 -0.980 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC(O)(C[NH2+]CCO)CC1 ZINC001274580685 828007115 /nfs/dbraw/zinc/00/71/15/828007115.db2.gz HZCNINSFZWWHIL-UHFFFAOYSA-N 2 2 296.371 -0.804 20 0 CBADLP CCC[C@H](O)C[NH+]1CC2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001274635461 828013682 /nfs/dbraw/zinc/01/36/82/828013682.db2.gz LPTVTXUVMOASMG-ZDUSSCGKSA-N 2 2 299.415 -0.378 20 0 CBADLP C[C@H](C[NH2+]CCS(C)(=O)=O)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001274701628 828023389 /nfs/dbraw/zinc/02/33/89/828023389.db2.gz MKRAJBGGEBOEBZ-GHMZBOCLSA-N 2 2 291.417 -0.781 20 0 CBADLP C[C@H](C[NH2+]CCS(C)(=O)=O)NC(=O)[C@H]1CCC[N@H+]1C ZINC001274701628 828023400 /nfs/dbraw/zinc/02/34/00/828023400.db2.gz MKRAJBGGEBOEBZ-GHMZBOCLSA-N 2 2 291.417 -0.781 20 0 CBADLP C[N@@H+]1C[C@@H]2COC[C@H](C1)N2CC[NH+]1CCOCC1 ZINC001275990763 828128137 /nfs/dbraw/zinc/12/81/37/828128137.db2.gz ZFYYHXDLPDDCPH-BETUJISGSA-N 2 2 255.362 -0.667 20 0 CBADLP C[N@H+]1C[C@@H]2COC[C@H](C1)N2CC[NH+]1CCOCC1 ZINC001275990763 828128139 /nfs/dbraw/zinc/12/81/39/828128139.db2.gz ZFYYHXDLPDDCPH-BETUJISGSA-N 2 2 255.362 -0.667 20 0 CBADLP CN(CCC[NH2+]CC(N)=O)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001276057779 828132085 /nfs/dbraw/zinc/13/20/85/828132085.db2.gz DHPBQONQCWLHFQ-NXEZZACHSA-N 2 2 279.344 -0.563 20 0 CBADLP CN(CCC[NH2+]CC(N)=O)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001276057779 828132086 /nfs/dbraw/zinc/13/20/86/828132086.db2.gz DHPBQONQCWLHFQ-NXEZZACHSA-N 2 2 279.344 -0.563 20 0 CBADLP CC[C@H](C(=O)N(C)CCC[NH2+]Cc1nnn(C)n1)[NH+](C)C ZINC001276070792 828132715 /nfs/dbraw/zinc/13/27/15/828132715.db2.gz NFEBCVTVOCWOEO-LLVKDONJSA-N 2 2 297.407 -0.512 20 0 CBADLP Cn1cncc1C[N@@H+]1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001276148619 828136220 /nfs/dbraw/zinc/13/62/20/828136220.db2.gz LXWGXZJSDIGUAY-GJZGRUSLSA-N 2 2 293.415 -0.133 20 0 CBADLP Cn1cncc1C[N@H+]1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001276148619 828136226 /nfs/dbraw/zinc/13/62/26/828136226.db2.gz LXWGXZJSDIGUAY-GJZGRUSLSA-N 2 2 293.415 -0.133 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)NC2(C[NH2+]CCO)CCCCC2)C1 ZINC001276188514 828137035 /nfs/dbraw/zinc/13/70/35/828137035.db2.gz NAFKZSOHZKOWJF-ZDUSSCGKSA-N 2 2 299.415 -0.282 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)NC2(C[NH2+]CCO)CCCCC2)C1 ZINC001276188514 828137039 /nfs/dbraw/zinc/13/70/39/828137039.db2.gz NAFKZSOHZKOWJF-ZDUSSCGKSA-N 2 2 299.415 -0.282 20 0 CBADLP CN(CCC[NH2+][C@@H]1CCNC1=O)C(=O)Cc1c[nH+]cn1C ZINC001276332760 828142051 /nfs/dbraw/zinc/14/20/51/828142051.db2.gz JQUAJQSYWUKBEX-GFCCVEGCSA-N 2 2 293.371 -0.711 20 0 CBADLP CN(CCC[NH2+]CCCO)C(=O)Cn1cc[nH+]c1 ZINC001276410650 828145643 /nfs/dbraw/zinc/14/56/43/828145643.db2.gz GWUMJSCLJPWUCF-UHFFFAOYSA-N 2 2 254.334 -0.296 20 0 CBADLP COCC[N@@H+]1CC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001276970055 828167895 /nfs/dbraw/zinc/16/78/95/828167895.db2.gz LQTFISFZXNJHOQ-LBPRGKRZSA-N 2 2 255.362 -0.081 20 0 CBADLP COCC[N@H+]1CC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001276970055 828167900 /nfs/dbraw/zinc/16/79/00/828167900.db2.gz LQTFISFZXNJHOQ-LBPRGKRZSA-N 2 2 255.362 -0.081 20 0 CBADLP O=C(N[C@H]1C[C@H](C[NH2+]CCO)C1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001277002121 828170855 /nfs/dbraw/zinc/17/08/55/828170855.db2.gz VQGXIZDUSYILIL-JHJVBQTASA-N 2 2 292.383 -0.078 20 0 CBADLP C[C@@H](CCC[NH2+][C@H]1CCNC1=O)NC(=O)Cn1cc[nH+]c1 ZINC001277373723 828187597 /nfs/dbraw/zinc/18/75/97/828187597.db2.gz XOWGHRHITGWDRL-RYUDHWBXSA-N 2 2 293.371 -0.354 20 0 CBADLP COC[C@H](C(=O)OC)[N@@H+]1CC[C@H]2CN(CC[NH+](C)C)C[C@H]21 ZINC001277576744 828195733 /nfs/dbraw/zinc/19/57/33/828195733.db2.gz WFAOTNAPCIECHR-BFHYXJOUSA-N 2 2 299.415 -0.258 20 0 CBADLP COC[C@H](C(=O)OC)[N@H+]1CC[C@H]2CN(CC[NH+](C)C)C[C@H]21 ZINC001277576744 828195737 /nfs/dbraw/zinc/19/57/37/828195737.db2.gz WFAOTNAPCIECHR-BFHYXJOUSA-N 2 2 299.415 -0.258 20 0 CBADLP CC(C)[C@@H](C(=O)N(C)C1C[NH+](CCO)C1)[NH+](C)C ZINC001277609479 828197858 /nfs/dbraw/zinc/19/78/58/828197858.db2.gz CBYHLJYSLCCIQD-LBPRGKRZSA-N 2 2 257.378 -0.293 20 0 CBADLP CN(C)C(=O)C[NH+]1CC2(CN(CC[NH+]3CCCC3)C2)C1 ZINC001278055781 828239168 /nfs/dbraw/zinc/23/91/68/828239168.db2.gz NDDYPVZILJEOSZ-UHFFFAOYSA-N 2 2 280.416 -0.212 20 0 CBADLP CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001278106381 828249012 /nfs/dbraw/zinc/24/90/12/828249012.db2.gz YADJBTNLZCDEMK-GHMZBOCLSA-N 2 2 266.345 -0.468 20 0 CBADLP C[NH+]1CC(N2CCN(C(=O)Cn3cc[nH+]c3)CC2)C1 ZINC001348305762 890590737 /nfs/dbraw/zinc/59/07/37/890590737.db2.gz VQDCNIHSEQBPIC-UHFFFAOYSA-N 2 2 263.345 -0.659 20 0 CBADLP C[NH+](C)CCC(=O)NCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001349202454 890776167 /nfs/dbraw/zinc/77/61/67/890776167.db2.gz NASOIQGFGAKWHM-UHFFFAOYSA-N 2 2 281.360 -0.474 20 0 CBADLP C[NH+](C)CCC(=O)NCCNC(=O)CCc1c[nH+]c[nH]1 ZINC001349202454 890776186 /nfs/dbraw/zinc/77/61/86/890776186.db2.gz NASOIQGFGAKWHM-UHFFFAOYSA-N 2 2 281.360 -0.474 20 0 CBADLP CC(C)[C@@H]([NH3+])C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001349471764 890820977 /nfs/dbraw/zinc/82/09/77/890820977.db2.gz DIYWCOUGILXWPC-MWLCHTKSSA-N 2 2 256.350 -0.964 20 0 CBADLP CC(C)[C@@H]([NH3+])C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001349471764 890820961 /nfs/dbraw/zinc/82/09/61/890820961.db2.gz DIYWCOUGILXWPC-MWLCHTKSSA-N 2 2 256.350 -0.964 20 0 CBADLP CC(=O)N1CCC(C[NH2+][C@H]2C[NH2+]CCOC2)CC1 ZINC001350954691 891076420 /nfs/dbraw/zinc/07/64/20/891076420.db2.gz FBYPESHPEFHKOE-ZDUSSCGKSA-N 2 2 255.362 -0.177 20 0 CBADLP C[N@@H+]1CCO[C@H]2CN(C(=O)CC3CC[NH2+]CC3)C[C@H]21 ZINC000353395755 884563718 /nfs/dbraw/zinc/56/37/18/884563718.db2.gz GBXDGPFTFAIWMQ-OLZOCXBDSA-N 2 2 267.373 -0.083 20 0 CBADLP C[N@H+]1CCO[C@H]2CN(C(=O)CC3CC[NH2+]CC3)C[C@H]21 ZINC000353395755 884563737 /nfs/dbraw/zinc/56/37/37/884563737.db2.gz GBXDGPFTFAIWMQ-OLZOCXBDSA-N 2 2 267.373 -0.083 20 0 CBADLP CC1(C)C[NH2+][C@H]1C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001328593490 885737931 /nfs/dbraw/zinc/73/79/31/885737931.db2.gz JOUODTKDNSJPFD-KOLCDFICSA-N 2 2 268.361 -0.950 20 0 CBADLP CC1(C)C[NH2+][C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001328593490 885737943 /nfs/dbraw/zinc/73/79/43/885737943.db2.gz JOUODTKDNSJPFD-KOLCDFICSA-N 2 2 268.361 -0.950 20 0 CBADLP CC1(C)C[NH2+][C@H]1C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001328593492 885740023 /nfs/dbraw/zinc/74/00/23/885740023.db2.gz JOUODTKDNSJPFD-ONGXEEELSA-N 2 2 268.361 -0.950 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC001330215068 886389619 /nfs/dbraw/zinc/38/96/19/886389619.db2.gz PAXOKUNVGLQMTD-NSHDSACASA-N 2 2 252.318 -0.855 20 0 CBADLP CN(C)c1ccc(Cn2cc([C@H]([NH3+])CO)nn2)c[nH+]1 ZINC001330791020 886569925 /nfs/dbraw/zinc/56/99/25/886569925.db2.gz IAYOBWKEUHCFKI-SNVBAGLBSA-N 2 2 262.317 -0.221 20 0 CBADLP O=S1(=O)C[C@@H]2CC[N@H+](C[C@H]3CC[NH2+]C3)C[C@H]2C1 ZINC001332233446 887165057 /nfs/dbraw/zinc/16/50/57/887165057.db2.gz XJBMTGONGMAGMY-SRVKXCTJSA-N 2 2 258.387 -0.038 20 0 CBADLP O=S1(=O)C[C@@H]2CC[N@@H+](C[C@H]3CC[NH2+]C3)C[C@H]2C1 ZINC001332233446 887165076 /nfs/dbraw/zinc/16/50/76/887165076.db2.gz XJBMTGONGMAGMY-SRVKXCTJSA-N 2 2 258.387 -0.038 20 0 CBADLP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NCCc1cn(C)c[nH+]1 ZINC001332390049 887250594 /nfs/dbraw/zinc/25/05/94/887250594.db2.gz DDFFFWPEWZWCOT-NXEZZACHSA-N 2 2 281.360 -0.679 20 0 CBADLP C[C@H](C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1)N1CC[NH+](C)CC1 ZINC001335400498 888522455 /nfs/dbraw/zinc/52/24/55/888522455.db2.gz QGUCMOTVPLTSDJ-HIFRSBDPSA-N 3 2 284.448 -0.333 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)NCCC[NH2+]C2CC2)CC1 ZINC001336109551 888694579 /nfs/dbraw/zinc/69/45/79/888694579.db2.gz NYGLVQPUWATWKM-UHFFFAOYSA-N 3 2 283.420 -0.149 20 0 CBADLP CN(C)[C@H](C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)C1CC1 ZINC001336738939 888864263 /nfs/dbraw/zinc/86/42/63/888864263.db2.gz IXEKGUZXAVEUOD-HUUCEWRRSA-N 2 2 284.448 -0.476 20 0 CBADLP C[C@H](O)C[NH+]1CCN(c2nccnc2C[NH3+])CC1 ZINC001337841474 889087539 /nfs/dbraw/zinc/08/75/39/889087539.db2.gz CXDUNXGKWZLQCJ-JTQLQIEISA-N 2 2 251.334 -0.562 20 0 CBADLP COCC[NH+]1CCN(c2nccnc2C[NH3+])CC1 ZINC001337776520 889077646 /nfs/dbraw/zinc/07/76/46/889077646.db2.gz SKSGFCHKWZFAOZ-UHFFFAOYSA-N 2 2 251.334 -0.296 20 0 CBADLP C[C@H]1C[N@@H+](CCO)CCN1c1nccnc1C[NH3+] ZINC001338008095 889105626 /nfs/dbraw/zinc/10/56/26/889105626.db2.gz LLTPWWMSLCIRBU-JTQLQIEISA-N 2 2 251.334 -0.562 20 0 CBADLP C[C@H](Nc1nccnc1C[NH3+])[C@@H]1C[N@H+](C)CCN1C ZINC001339814643 889328367 /nfs/dbraw/zinc/32/83/67/889328367.db2.gz DXVSPCUMUCHFIN-JQWIXIFHSA-N 2 2 264.377 -0.019 20 0 CBADLP C[C@H](Nc1nccnc1C[NH3+])[C@@H]1C[N@@H+](C)CCN1C ZINC001339814643 889328377 /nfs/dbraw/zinc/32/83/77/889328377.db2.gz DXVSPCUMUCHFIN-JQWIXIFHSA-N 2 2 264.377 -0.019 20 0 CBADLP C[C@H](Nc1nccnc1C[NH3+])[C@@H]1CN(C)CC[N@@H+]1C ZINC001339814643 889328383 /nfs/dbraw/zinc/32/83/83/889328383.db2.gz DXVSPCUMUCHFIN-JQWIXIFHSA-N 2 2 264.377 -0.019 20 0 CBADLP C[C@H](Nc1nccnc1C[NH3+])[C@@H]1CN(C)CC[N@H+]1C ZINC001339814643 889328393 /nfs/dbraw/zinc/32/83/93/889328393.db2.gz DXVSPCUMUCHFIN-JQWIXIFHSA-N 2 2 264.377 -0.019 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NCC1C[NH+](CC(=O)N(C)C)C1 ZINC001443656295 912255868 /nfs/dbraw/zinc/25/58/68/912255868.db2.gz VQIPPDWTNZJCTA-UHFFFAOYSA-N 2 2 293.371 -0.672 20 0 CBADLP CN(CCCn1cc[nH+]c1)C(=O)[C@@H]([NH3+])C(C)(C)O ZINC001341873727 889676454 /nfs/dbraw/zinc/67/64/54/889676454.db2.gz ADDYMXSZZWTDFS-SNVBAGLBSA-N 2 2 254.334 -0.170 20 0 CBADLP CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001443708065 912262849 /nfs/dbraw/zinc/26/28/49/912262849.db2.gz OULYBJTYMQRGQP-LBPRGKRZSA-N 2 2 296.415 -0.251 20 0 CBADLP CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001443708065 912262868 /nfs/dbraw/zinc/26/28/68/912262868.db2.gz OULYBJTYMQRGQP-LBPRGKRZSA-N 2 2 296.415 -0.251 20 0 CBADLP CC[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@@H]1CCN(C)C1=O ZINC001444013131 912322029 /nfs/dbraw/zinc/32/20/29/912322029.db2.gz SPVYAIOCDBBUND-CMPLNLGQSA-N 2 2 293.371 -0.333 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)NC[C@H]1CCCCC[NH2+]1 ZINC001342960997 889848484 /nfs/dbraw/zinc/84/84/84/889848484.db2.gz LKZMRVMRWLQMRS-LLVKDONJSA-N 2 2 268.361 -0.933 20 0 CBADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C[NH2+]CC(=O)N1CCC1 ZINC001444370963 912434934 /nfs/dbraw/zinc/43/49/34/912434934.db2.gz LDHKBSFRIMIBPO-LLVKDONJSA-N 2 2 293.371 -0.474 20 0 CBADLP Nc1cc(C(=O)NCC[NH+]2CCC([NH3+])CC2)ccn1 ZINC001344708189 890054568 /nfs/dbraw/zinc/05/45/68/890054568.db2.gz JIYOBLJMEFWEIH-UHFFFAOYSA-N 2 2 263.345 -0.183 20 0 CBADLP C[C@@H](C[NH2+][C@H]1CCNC1=O)N(C)C(=O)Cn1cc[nH+]c1 ZINC001444727044 912498591 /nfs/dbraw/zinc/49/85/91/912498591.db2.gz NFHMIEJKYYLRHQ-QWRGUYRKSA-N 2 2 279.344 -0.792 20 0 CBADLP CNC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001445030723 912543653 /nfs/dbraw/zinc/54/36/53/912543653.db2.gz UJWRGOZHJHBURB-CYBMUJFWSA-N 2 2 286.420 -0.291 20 0 CBADLP CNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001445030723 912543666 /nfs/dbraw/zinc/54/36/66/912543666.db2.gz UJWRGOZHJHBURB-CYBMUJFWSA-N 2 2 286.420 -0.291 20 0 CBADLP COC[C@H](O)C[N@H+](C)CCN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001445078592 912554969 /nfs/dbraw/zinc/55/49/69/912554969.db2.gz YIPHLIMGHUWIOS-GFCCVEGCSA-N 2 2 298.387 -0.342 20 0 CBADLP COC[C@H](O)C[N@@H+](C)CCN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001445078592 912554980 /nfs/dbraw/zinc/55/49/80/912554980.db2.gz YIPHLIMGHUWIOS-GFCCVEGCSA-N 2 2 298.387 -0.342 20 0 CBADLP CN(CC[N@H+](C)Cc1cnnn1C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001445080097 912558357 /nfs/dbraw/zinc/55/83/57/912558357.db2.gz CJGNNLCSMHTWPT-GFCCVEGCSA-N 2 2 294.403 -0.343 20 0 CBADLP CN(CC[N@@H+](C)Cc1cnnn1C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001445080097 912558369 /nfs/dbraw/zinc/55/83/69/912558369.db2.gz CJGNNLCSMHTWPT-GFCCVEGCSA-N 2 2 294.403 -0.343 20 0 CBADLP CN(CC[NH+](C)Cc1cnnn1C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001445080097 912558379 /nfs/dbraw/zinc/55/83/79/912558379.db2.gz CJGNNLCSMHTWPT-GFCCVEGCSA-N 2 2 294.403 -0.343 20 0 CBADLP CN(CC[NH+](C)Cc1cnnn1C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001445080097 912558386 /nfs/dbraw/zinc/55/83/86/912558386.db2.gz CJGNNLCSMHTWPT-GFCCVEGCSA-N 2 2 294.403 -0.343 20 0 CBADLP CC[C@H]([NH2+]CC[C@@H](C)NC(=O)Cn1cc[nH+]c1)C(N)=O ZINC001445301454 912625085 /nfs/dbraw/zinc/62/50/85/912625085.db2.gz LEVQZCXFHQUXRW-MNOVXSKESA-N 2 2 281.360 -0.369 20 0 CBADLP CC[C@H]([NH2+]CC[C@H](C)NC(=O)Cn1cc[nH+]c1)C(N)=O ZINC001445301455 912626683 /nfs/dbraw/zinc/62/66/83/912626683.db2.gz LEVQZCXFHQUXRW-QWRGUYRKSA-N 2 2 281.360 -0.369 20 0 CBADLP CCN(CC[NH2+][C@H]1CCNC1=O)C(=O)CCc1c[nH]c[nH+]1 ZINC001445307155 912629506 /nfs/dbraw/zinc/62/95/06/912629506.db2.gz UDVDLBLMSCFGRY-LBPRGKRZSA-N 2 2 293.371 -0.331 20 0 CBADLP CCN(CC[NH2+][C@H]1CCNC1=O)C(=O)CCc1c[nH+]c[nH]1 ZINC001445307155 912629514 /nfs/dbraw/zinc/62/95/14/912629514.db2.gz UDVDLBLMSCFGRY-LBPRGKRZSA-N 2 2 293.371 -0.331 20 0 CBADLP CNC(=O)C[NH2+]C[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001445575476 912703593 /nfs/dbraw/zinc/70/35/93/912703593.db2.gz BLYNJKWLFSYFTL-JTQLQIEISA-N 2 2 289.339 -0.212 20 0 CBADLP CCN(C)C(=O)C[NH2+]C[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001445647711 912726319 /nfs/dbraw/zinc/72/63/19/912726319.db2.gz OARSKGKLIRJXFD-NSHDSACASA-N 2 2 295.387 -0.465 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001446130372 912815141 /nfs/dbraw/zinc/81/51/41/912815141.db2.gz OKMSEXANJAPJCA-NEPJUHHUSA-N 2 2 293.371 -0.354 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001446130372 912815159 /nfs/dbraw/zinc/81/51/59/912815159.db2.gz OKMSEXANJAPJCA-NEPJUHHUSA-N 2 2 293.371 -0.354 20 0 CBADLP O=C(NC[C@@H]1CC[N@@H+](CCO)C1)[C@H]1CCc2c[nH+]cn2C1 ZINC001028643804 884615157 /nfs/dbraw/zinc/61/51/57/884615157.db2.gz SEFIEGDZRWYCGO-STQMWFEESA-N 2 2 292.383 -0.124 20 0 CBADLP O=C(NC[C@@H]1CC[N@H+](CCO)C1)[C@H]1CCc2c[nH+]cn2C1 ZINC001028643804 884615167 /nfs/dbraw/zinc/61/51/67/884615167.db2.gz SEFIEGDZRWYCGO-STQMWFEESA-N 2 2 292.383 -0.124 20 0 CBADLP CC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](O)C1 ZINC001090600255 884644344 /nfs/dbraw/zinc/64/43/44/884644344.db2.gz KJNOEZHGLVEEEE-GHMZBOCLSA-N 2 2 252.318 -0.477 20 0 CBADLP CC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](O)C1 ZINC001090600255 884644351 /nfs/dbraw/zinc/64/43/51/884644351.db2.gz KJNOEZHGLVEEEE-GHMZBOCLSA-N 2 2 252.318 -0.477 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CC[N@@H+](CC2CC2)C[C@H]1O ZINC001090602608 884646432 /nfs/dbraw/zinc/64/64/32/884646432.db2.gz ZSOWCESJYAJIFG-CHWSQXEVSA-N 2 2 278.356 -0.086 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CC[N@H+](CC2CC2)C[C@H]1O ZINC001090602608 884646438 /nfs/dbraw/zinc/64/64/38/884646438.db2.gz ZSOWCESJYAJIFG-CHWSQXEVSA-N 2 2 278.356 -0.086 20 0 CBADLP Cn1cc(C[NH2+]CCNC(=O)CCc2c[nH]c[nH+]2)cn1 ZINC001128986139 884668528 /nfs/dbraw/zinc/66/85/28/884668528.db2.gz ITONTBZMSKNCRV-UHFFFAOYSA-N 2 2 276.344 -0.018 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCCC[NH2+][C@H]1CCNC1=O ZINC001174681820 884683256 /nfs/dbraw/zinc/68/32/56/884683256.db2.gz BLYDRDYMVNYNLD-JTQLQIEISA-N 2 2 279.344 -0.755 20 0 CBADLP CCN(C)C(=O)C[NH2+]C1(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001446287423 912855582 /nfs/dbraw/zinc/85/55/82/912855582.db2.gz GGAPVELSSCSJEO-UHFFFAOYSA-N 2 2 293.371 -0.400 20 0 CBADLP CC[N@@H+]1CC[C@@](O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001278816195 884822090 /nfs/dbraw/zinc/82/20/90/884822090.db2.gz OJYDCFVTDXKLEC-GFCCVEGCSA-N 2 2 252.318 -0.475 20 0 CBADLP CC[N@H+]1CC[C@@](O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001278816195 884822092 /nfs/dbraw/zinc/82/20/92/884822092.db2.gz OJYDCFVTDXKLEC-GFCCVEGCSA-N 2 2 252.318 -0.475 20 0 CBADLP C[C@H](C(=O)N1CC[C@@H](C[NH3+])C1)[NH+]1CCN(C)CC1 ZINC001326276764 884970518 /nfs/dbraw/zinc/97/05/18/884970518.db2.gz WEZBVPYRHQKUQG-NEPJUHHUSA-N 2 2 254.378 -0.571 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1[NH2+]CC1(C)C ZINC001326310043 884978982 /nfs/dbraw/zinc/97/89/82/884978982.db2.gz USPVFZRJPCZYFO-UWVGGRQHSA-N 2 2 269.345 -0.652 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC001326310161 884980985 /nfs/dbraw/zinc/98/09/85/884980985.db2.gz WNCAGWRFNMBRJI-AEJSXWLSSA-N 2 2 255.318 -0.913 20 0 CBADLP CC(C)([NH3+])CC(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001326371398 885006465 /nfs/dbraw/zinc/00/64/65/885006465.db2.gz QZLWTTKAIKZDBE-VIFPVBQESA-N 2 2 256.350 -0.820 20 0 CBADLP CC(C)([NH3+])CC(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001326371398 885006484 /nfs/dbraw/zinc/00/64/84/885006484.db2.gz QZLWTTKAIKZDBE-VIFPVBQESA-N 2 2 256.350 -0.820 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC1(C)CC[NH+](CC(N)=O)CC1 ZINC001446477920 912888443 /nfs/dbraw/zinc/88/84/43/912888443.db2.gz OZODXUKFJOXNBZ-UHFFFAOYSA-N 2 2 293.371 -0.352 20 0 CBADLP NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CCCCC[NH3+])C1 ZINC001326408385 885021437 /nfs/dbraw/zinc/02/14/37/885021437.db2.gz JZKOBVHNRCWNSY-LLVKDONJSA-N 2 2 270.377 -0.429 20 0 CBADLP NC(=O)C[N@H+]1CCC[C@@H](NC(=O)CCCCC[NH3+])C1 ZINC001326408385 885021449 /nfs/dbraw/zinc/02/14/49/885021449.db2.gz JZKOBVHNRCWNSY-LLVKDONJSA-N 2 2 270.377 -0.429 20 0 CBADLP COCC[NH2+]C1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC001326486713 885042418 /nfs/dbraw/zinc/04/24/18/885042418.db2.gz HXABHMZYULTLRO-UHFFFAOYSA-N 3 2 270.421 -0.408 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)C[C@@H]([NH3+])C1CC1 ZINC001326557308 885065254 /nfs/dbraw/zinc/06/52/54/885065254.db2.gz UGIHJGGHFZOHFL-MNOVXSKESA-N 2 2 269.345 -0.523 20 0 CBADLP NC(=O)C[N@@H+]1CCC[C@H](NC(=O)C[NH2+]CC2CC2)C1 ZINC001326674967 885110919 /nfs/dbraw/zinc/11/09/19/885110919.db2.gz KVKBIOOLEATWSO-NSHDSACASA-N 2 2 268.361 -0.948 20 0 CBADLP NC(=O)C[N@H+]1CCC[C@H](NC(=O)C[NH2+]CC2CC2)C1 ZINC001326674967 885110923 /nfs/dbraw/zinc/11/09/23/885110923.db2.gz KVKBIOOLEATWSO-NSHDSACASA-N 2 2 268.361 -0.948 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CC[C@](C)(NC(=O)CCn2cc[nH+]c2)C1 ZINC001446540958 912900808 /nfs/dbraw/zinc/90/08/08/912900808.db2.gz KXEKUNYBAIMYOH-RISCZKNCSA-N 2 2 293.371 -0.272 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CC[C@](C)(NC(=O)CCn2cc[nH+]c2)C1 ZINC001446540958 912900814 /nfs/dbraw/zinc/90/08/14/912900814.db2.gz KXEKUNYBAIMYOH-RISCZKNCSA-N 2 2 293.371 -0.272 20 0 CBADLP C[C@@]1(C[NH2+]CC(N)=O)CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001446593691 912912788 /nfs/dbraw/zinc/91/27/88/912912788.db2.gz KKQPAXYEZPNLMU-ZDUSSCGKSA-N 2 2 279.344 -0.734 20 0 CBADLP C[C@H]([NH2+]C[C@]1(C)CCN(C(=O)Cn2cc[nH+]c2)C1)C(N)=O ZINC001446609477 912914805 /nfs/dbraw/zinc/91/48/05/912914805.db2.gz HAQUKPNHGVOIHE-FZMZJTMJSA-N 2 2 293.371 -0.415 20 0 CBADLP C[C@H]([NH2+]C[C@@]1(C)CCN(C(=O)Cn2cc[nH+]c2)C1)C(N)=O ZINC001446609482 912916622 /nfs/dbraw/zinc/91/66/22/912916622.db2.gz HAQUKPNHGVOIHE-SMDDNHRTSA-N 2 2 293.371 -0.415 20 0 CBADLP Cn1c[nH+]c(CCNC(=O)C(=O)NCCC2(C[NH3+])CC2)c1 ZINC001327393790 885339119 /nfs/dbraw/zinc/33/91/19/885339119.db2.gz WJIUFMFAJNGANX-UHFFFAOYSA-N 2 2 293.371 -0.676 20 0 CBADLP CC1(C)C[NH2+][C@H]1C(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001328593492 885740015 /nfs/dbraw/zinc/74/00/15/885740015.db2.gz JOUODTKDNSJPFD-ONGXEEELSA-N 2 2 268.361 -0.950 20 0 CBADLP CO[C@H](C)C[NH+]1CC(O)(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001446855970 912969078 /nfs/dbraw/zinc/96/90/78/912969078.db2.gz TVTWTOQMRIGNSZ-GFCCVEGCSA-N 2 2 299.415 -0.332 20 0 CBADLP CO[C@H](C)C[NH+]1CC(O)(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001446855970 912969088 /nfs/dbraw/zinc/96/90/88/912969088.db2.gz TVTWTOQMRIGNSZ-GFCCVEGCSA-N 2 2 299.415 -0.332 20 0 CBADLP O=C(CC[NH+]1CCOCC1)NCC1(O)C[NH+](CC2CC2)C1 ZINC001446887529 912973613 /nfs/dbraw/zinc/97/36/13/912973613.db2.gz KHYRQMYUZOJWNY-UHFFFAOYSA-N 2 2 297.399 -0.718 20 0 CBADLP C[N@H+](CCO)C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001328799266 885816372 /nfs/dbraw/zinc/81/63/72/885816372.db2.gz XDSFXFPTIVFVOU-LBPRGKRZSA-N 2 2 266.345 -0.202 20 0 CBADLP C[N@@H+](CCO)C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001328799266 885816378 /nfs/dbraw/zinc/81/63/78/885816378.db2.gz XDSFXFPTIVFVOU-LBPRGKRZSA-N 2 2 266.345 -0.202 20 0 CBADLP Cn1c[nH+]c(CCNC(=O)NC[C@@H]2COCC[NH2+]2)c1 ZINC001329054802 885903198 /nfs/dbraw/zinc/90/31/98/885903198.db2.gz MROSSZYEOKSCTA-LLVKDONJSA-N 2 2 267.333 -0.750 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NCCC[NH+]1CCC(O)CC1 ZINC001329080079 885915816 /nfs/dbraw/zinc/91/58/16/885915816.db2.gz CRFUHDGWERPNMJ-UHFFFAOYSA-N 2 2 280.372 -0.074 20 0 CBADLP C[C@H](C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)n1cc[nH+]c1 ZINC001329089622 885924318 /nfs/dbraw/zinc/92/43/18/885924318.db2.gz RKEXVCJERIGGNE-GRYCIOLGSA-N 2 2 264.329 -0.279 20 0 CBADLP C[C@H](C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)n1cc[nH+]c1 ZINC001329089622 885924324 /nfs/dbraw/zinc/92/43/24/885924324.db2.gz RKEXVCJERIGGNE-GRYCIOLGSA-N 2 2 264.329 -0.279 20 0 CBADLP C[C@@H]([NH2+]CCCO)[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001329152732 885951071 /nfs/dbraw/zinc/95/10/71/885951071.db2.gz SKPMTBIDYGSSOV-ZJUUUORDSA-N 2 2 254.334 -0.183 20 0 CBADLP COCC[NH2+]CCc1cn(CC[NH+]2CCN(C)CC2)nn1 ZINC001329245479 885981149 /nfs/dbraw/zinc/98/11/49/885981149.db2.gz PBWPKHHLSOOCPK-UHFFFAOYSA-N 2 2 296.419 -0.696 20 0 CBADLP C[NH+](C)CCOCCNC(=O)CCn1cc[nH+]c1 ZINC001447025819 913001691 /nfs/dbraw/zinc/00/16/91/913001691.db2.gz CSKIYEKKSSWPLK-UHFFFAOYSA-N 2 2 254.334 -0.032 20 0 CBADLP C[C@@H](O)C[N@@H+]1CCC[C@](CO)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001447039382 913003732 /nfs/dbraw/zinc/00/37/32/913003732.db2.gz VMTAMCNAOYWWGF-OCCSQVGLSA-N 2 2 296.371 -0.793 20 0 CBADLP C[C@@H](O)C[N@H+]1CCC[C@](CO)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001447039382 913003755 /nfs/dbraw/zinc/00/37/55/913003755.db2.gz VMTAMCNAOYWWGF-OCCSQVGLSA-N 2 2 296.371 -0.793 20 0 CBADLP C[C@@H](C(=O)N1CCC(C[NH3+])CC1)[NH+]1CCN(C)CC1 ZINC001329483266 886089562 /nfs/dbraw/zinc/08/95/62/886089562.db2.gz PXORGNIQJQVNGZ-LBPRGKRZSA-N 2 2 268.405 -0.180 20 0 CBADLP C[C@@H](C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1)[C@H](C)[NH3+] ZINC001329564477 886124030 /nfs/dbraw/zinc/12/40/30/886124030.db2.gz NJETVDFSZPNTCN-UTLUCORTSA-N 2 2 256.350 -0.964 20 0 CBADLP C[C@@H](C(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1)[C@H](C)[NH3+] ZINC001329564477 886124022 /nfs/dbraw/zinc/12/40/22/886124022.db2.gz NJETVDFSZPNTCN-UTLUCORTSA-N 2 2 256.350 -0.964 20 0 CBADLP C[C@@H](C(=O)NC[C@@H]1C[NH2+]CCCO1)n1cc[nH+]c1 ZINC001329567761 886124655 /nfs/dbraw/zinc/12/46/55/886124655.db2.gz AWKYAWRNPBKASZ-QWRGUYRKSA-N 2 2 252.318 -0.061 20 0 CBADLP NC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]([NH3+])C2CCC2)C1 ZINC001329564564 886125519 /nfs/dbraw/zinc/12/55/19/886125519.db2.gz OFBWHNGOSXQGNG-JQWIXIFHSA-N 2 2 268.361 -0.820 20 0 CBADLP NC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]([NH3+])C2CCC2)C1 ZINC001329564564 886125533 /nfs/dbraw/zinc/12/55/33/886125533.db2.gz OFBWHNGOSXQGNG-JQWIXIFHSA-N 2 2 268.361 -0.820 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC001329626144 886150074 /nfs/dbraw/zinc/15/00/74/886150074.db2.gz LSTJCGXUEFKSQT-JTQLQIEISA-N 2 2 252.318 -0.557 20 0 CBADLP CC[NH+]1CC(CCO)(NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001329695644 886179486 /nfs/dbraw/zinc/17/94/86/886179486.db2.gz ZMOIQWNVIPNDNF-GFCCVEGCSA-N 2 2 269.389 -0.099 20 0 CBADLP O=C(/C=C\C[NH+]1CCOCC1)NCC[NH+]1CC=CC1 ZINC001329749050 886196766 /nfs/dbraw/zinc/19/67/66/886196766.db2.gz RLHKKPJEHGQQEW-ARJAWSKDSA-N 2 2 265.357 -0.137 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC001330215068 886389603 /nfs/dbraw/zinc/38/96/03/886389603.db2.gz PAXOKUNVGLQMTD-NSHDSACASA-N 2 2 252.318 -0.855 20 0 CBADLP Cn1c[nH+]cc1CNC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC001330512730 886465566 /nfs/dbraw/zinc/46/55/66/886465566.db2.gz HQLLPAOPRNOHOD-LBPRGKRZSA-N 2 2 267.333 -0.714 20 0 CBADLP Cn1c[nH+]cc1CNC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC001330512730 886465577 /nfs/dbraw/zinc/46/55/77/886465577.db2.gz HQLLPAOPRNOHOD-LBPRGKRZSA-N 2 2 267.333 -0.714 20 0 CBADLP COC[C@H](C)[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001447315544 913049542 /nfs/dbraw/zinc/04/95/42/913049542.db2.gz YCZYWEFLUMHESP-STQMWFEESA-N 2 2 296.371 -0.265 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)CCC[NH2+]CC(N)=O ZINC001330972549 886639007 /nfs/dbraw/zinc/63/90/07/886639007.db2.gz SGEWBAQXQAKNLG-SECBINFHSA-N 2 2 281.360 -0.380 20 0 CBADLP CN(CCCCCC[NH3+])C(=O)C(=O)NCCn1cc[nH+]c1 ZINC001331104484 886675694 /nfs/dbraw/zinc/67/56/94/886675694.db2.gz UCQBLDYULDDAKU-UHFFFAOYSA-N 2 2 295.387 -0.023 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC1 ZINC001331221702 886733887 /nfs/dbraw/zinc/73/38/87/886733887.db2.gz OIHJOFPXPATIHK-XYPYZODXSA-N 2 2 268.361 -0.996 20 0 CBADLP [NH3+]C[C@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CCO1 ZINC001331224775 886739446 /nfs/dbraw/zinc/73/94/46/886739446.db2.gz KHUFSFXABNSYKF-QWRGUYRKSA-N 2 2 264.329 -0.368 20 0 CBADLP CCC[N@H+](C)CC(=O)N[C@@H]1COC2(C[NH+](C[C@H](C)O)C2)C1 ZINC001447420314 913077158 /nfs/dbraw/zinc/07/71/58/913077158.db2.gz VJUIITBMPJIBOK-STQMWFEESA-N 2 2 299.415 -0.332 20 0 CBADLP CCC[N@@H+](C)CC(=O)N[C@@H]1COC2(C[NH+](C[C@H](C)O)C2)C1 ZINC001447420314 913077176 /nfs/dbraw/zinc/07/71/76/913077176.db2.gz VJUIITBMPJIBOK-STQMWFEESA-N 2 2 299.415 -0.332 20 0 CBADLP C[C@H]([NH3+])CCNC(=O)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001331320708 886773003 /nfs/dbraw/zinc/77/30/03/886773003.db2.gz WWBNSDVSUBCZJU-QWRGUYRKSA-N 2 2 293.371 -0.031 20 0 CBADLP CCC1([NH2+]CC(N)=O)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001447436659 913081137 /nfs/dbraw/zinc/08/11/37/913081137.db2.gz VJOYKJWNBYHAMK-UHFFFAOYSA-N 2 2 293.371 -0.271 20 0 CBADLP C[S@](=O)C1(C(=O)NCCCn2cc[nH+]c2)CC[NH2+]CC1 ZINC001331693293 886914659 /nfs/dbraw/zinc/91/46/59/886914659.db2.gz YOPZCRQRSJEAOS-FQEVSTJZSA-N 2 2 298.412 -0.110 20 0 CBADLP Cn1c[nH+]cc1[C@H](CO)NC(=O)C1([NH+](C)C)CC1 ZINC001331885725 887031564 /nfs/dbraw/zinc/03/15/64/887031564.db2.gz JLRSDPCQFLJTEJ-VIFPVBQESA-N 2 2 252.318 -0.336 20 0 CBADLP COCCOC[C@@H](O)C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC001331971996 887070926 /nfs/dbraw/zinc/07/09/26/887070926.db2.gz OPACUCWZFGYTDM-MNOVXSKESA-N 2 2 269.345 -0.120 20 0 CBADLP COCCOC[C@H](O)C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC001331971994 887071403 /nfs/dbraw/zinc/07/14/03/887071403.db2.gz OPACUCWZFGYTDM-GHMZBOCLSA-N 2 2 269.345 -0.120 20 0 CBADLP C[C@@H](c1nc(C2([NH3+])CC2)no1)N1CC[NH2+]CC1=O ZINC001332062143 887096633 /nfs/dbraw/zinc/09/66/33/887096633.db2.gz VENLIWPFMPIZJR-ZETCQYMHSA-N 2 2 251.290 -0.490 20 0 CBADLP C[C@H](c1nc(C2([NH3+])CC2)no1)N1CC[NH2+]CC1=O ZINC001332062141 887097395 /nfs/dbraw/zinc/09/73/95/887097395.db2.gz VENLIWPFMPIZJR-SSDOTTSWSA-N 2 2 251.290 -0.490 20 0 CBADLP O=S1(=O)C[C@@H]2CC[N@H+](C[C@@H]3CC[NH2+]C3)C[C@H]2C1 ZINC001332233449 887165374 /nfs/dbraw/zinc/16/53/74/887165374.db2.gz XJBMTGONGMAGMY-WOPDTQHZSA-N 2 2 258.387 -0.038 20 0 CBADLP O=S1(=O)C[C@@H]2CC[N@@H+](C[C@@H]3CC[NH2+]C3)C[C@H]2C1 ZINC001332233449 887165386 /nfs/dbraw/zinc/16/53/86/887165386.db2.gz XJBMTGONGMAGMY-WOPDTQHZSA-N 2 2 258.387 -0.038 20 0 CBADLP C[C@H](C(=O)N(C)CC[N@@H+](C)CCO)n1cc[nH+]c1 ZINC001332246062 887170313 /nfs/dbraw/zinc/17/03/13/887170313.db2.gz WCZRYQQFJSOAOK-LLVKDONJSA-N 2 2 254.334 -0.173 20 0 CBADLP C[C@H](C(=O)N(C)CC[N@H+](C)CCO)n1cc[nH+]c1 ZINC001332246062 887170308 /nfs/dbraw/zinc/17/03/08/887170308.db2.gz WCZRYQQFJSOAOK-LLVKDONJSA-N 2 2 254.334 -0.173 20 0 CBADLP O=C(C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2)N1CC[NH2+]CC1 ZINC001332425183 887273440 /nfs/dbraw/zinc/27/34/40/887273440.db2.gz WYGAMQOICJMVBH-CQSZACIVSA-N 3 2 266.389 -0.506 20 0 CBADLP O=C(C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)N1CC[NH2+]CC1 ZINC001332425183 887273457 /nfs/dbraw/zinc/27/34/57/887273457.db2.gz WYGAMQOICJMVBH-CQSZACIVSA-N 3 2 266.389 -0.506 20 0 CBADLP C[NH2+]CCC[N@@H+]1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001332425161 887274913 /nfs/dbraw/zinc/27/49/13/887274913.db2.gz WHAXXXWBTWAVAV-UONOGXRCSA-N 3 2 295.431 -0.184 20 0 CBADLP C[NH2+]CCC[N@H+]1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001332425161 887274923 /nfs/dbraw/zinc/27/49/23/887274923.db2.gz WHAXXXWBTWAVAV-UONOGXRCSA-N 3 2 295.431 -0.184 20 0 CBADLP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2nnc3n2CCNC3=O)C1 ZINC001332421769 887275174 /nfs/dbraw/zinc/27/51/74/887275174.db2.gz SENUQTJXORKUME-IUCAKERBSA-N 2 2 264.333 -0.619 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001332521779 887336318 /nfs/dbraw/zinc/33/63/18/887336318.db2.gz VCMMCQWTHSCRBE-SRVKXCTJSA-N 2 2 268.361 -0.537 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001332521779 887336332 /nfs/dbraw/zinc/33/63/32/887336332.db2.gz VCMMCQWTHSCRBE-SRVKXCTJSA-N 2 2 268.361 -0.537 20 0 CBADLP C[C@@H]1CN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)CC[N@@H+]1C ZINC001332755569 887422672 /nfs/dbraw/zinc/42/26/72/887422672.db2.gz PNSDBPUVLQMMNX-YPMHNXCESA-N 2 2 267.373 -0.130 20 0 CBADLP C[C@@H]1CN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)CC[N@H+]1C ZINC001332755569 887422678 /nfs/dbraw/zinc/42/26/78/887422678.db2.gz PNSDBPUVLQMMNX-YPMHNXCESA-N 2 2 267.373 -0.130 20 0 CBADLP C[C@H]1CN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)CC[N@@H+]1C ZINC001332755566 887422937 /nfs/dbraw/zinc/42/29/37/887422937.db2.gz PNSDBPUVLQMMNX-AAEUAGOBSA-N 2 2 267.373 -0.130 20 0 CBADLP C[C@H]1CN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)CC[N@H+]1C ZINC001332755566 887422942 /nfs/dbraw/zinc/42/29/42/887422942.db2.gz PNSDBPUVLQMMNX-AAEUAGOBSA-N 2 2 267.373 -0.130 20 0 CBADLP CS(=O)(=O)C[C@H](O)C[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC001332876255 887458887 /nfs/dbraw/zinc/45/88/87/887458887.db2.gz DWQKDNBXXTZBLC-GMTAPVOTSA-N 2 2 264.391 -0.359 20 0 CBADLP NC(=O)C[N@@H+]1CCC[C@H](NC(=O)/C=C\[C@H]2CCC[NH2+]C2)C1 ZINC001332975983 887492180 /nfs/dbraw/zinc/49/21/80/887492180.db2.gz MPCCTITXPCSHQQ-QLQVPFRHSA-N 2 2 294.399 -0.392 20 0 CBADLP NC(=O)C[N@H+]1CCC[C@H](NC(=O)/C=C\[C@H]2CCC[NH2+]C2)C1 ZINC001332975983 887492187 /nfs/dbraw/zinc/49/21/87/887492187.db2.gz MPCCTITXPCSHQQ-QLQVPFRHSA-N 2 2 294.399 -0.392 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NCC1=CC[N@H+](CCO)CC1 ZINC001333433480 887638842 /nfs/dbraw/zinc/63/88/42/887638842.db2.gz PYVFZTNFQFBZAA-UHFFFAOYSA-N 2 2 278.356 -0.297 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NCC1=CC[N@@H+](CCO)CC1 ZINC001333433480 887638849 /nfs/dbraw/zinc/63/88/49/887638849.db2.gz PYVFZTNFQFBZAA-UHFFFAOYSA-N 2 2 278.356 -0.297 20 0 CBADLP CCNC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001447929304 913165575 /nfs/dbraw/zinc/16/55/75/913165575.db2.gz LUMFGLBDHCLECH-QWRGUYRKSA-N 2 2 295.387 -0.419 20 0 CBADLP C[C@@H](NC(=O)CCCn1cc[nH+]c1)[C@@H](C)[NH2+]CC(N)=O ZINC001447943923 913177805 /nfs/dbraw/zinc/17/78/05/913177805.db2.gz QGVISBRHJJTYHR-GHMZBOCLSA-N 2 2 281.360 -0.369 20 0 CBADLP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCCc1cn(C)c[nH+]1 ZINC001333914922 887805331 /nfs/dbraw/zinc/80/53/31/887805331.db2.gz VQPLCTAALJAHJZ-NXEZZACHSA-N 2 2 279.344 -0.973 20 0 CBADLP O=C(NCCn1cc[nH+]c1)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC001333908757 887805846 /nfs/dbraw/zinc/80/58/46/887805846.db2.gz ISGKXCIVZOHACS-VXGBXAGGSA-N 2 2 291.355 -0.648 20 0 CBADLP O=C(NCCn1cc[nH+]c1)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC001333908755 887805975 /nfs/dbraw/zinc/80/59/75/887805975.db2.gz ISGKXCIVZOHACS-RYUDHWBXSA-N 2 2 291.355 -0.648 20 0 CBADLP [NH3+]C[C@H]1CCCN1C(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC001333961449 887821413 /nfs/dbraw/zinc/82/14/13/887821413.db2.gz WNUORONWBHQZFW-WDEREUQCSA-N 2 2 291.355 -0.736 20 0 CBADLP OC1CC[NH+](Cc2cn(C[C@@H]3CCC[NH2+]3)nn2)CC1 ZINC001334395629 887951431 /nfs/dbraw/zinc/95/14/31/887951431.db2.gz AIGSCHSKGAFQCN-NSHDSACASA-N 2 2 265.361 -0.013 20 0 CBADLP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC001335369540 888516764 /nfs/dbraw/zinc/51/67/64/888516764.db2.gz WOCINOBTUWPAFX-GJZGRUSLSA-N 3 2 284.448 -0.474 20 0 CBADLP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC001335369540 888516776 /nfs/dbraw/zinc/51/67/76/888516776.db2.gz WOCINOBTUWPAFX-GJZGRUSLSA-N 3 2 284.448 -0.474 20 0 CBADLP C[C@H](C[NH2+]C[C@H](O)C[N@H+](C)C1CC1)N1CC[NH+](C)CC1 ZINC001335400498 888522441 /nfs/dbraw/zinc/52/24/41/888522441.db2.gz QGUCMOTVPLTSDJ-HIFRSBDPSA-N 3 2 284.448 -0.333 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)NCC2([NH3+])CCC2)CC1 ZINC001335551098 888563483 /nfs/dbraw/zinc/56/34/83/888563483.db2.gz IDUYWMIJMVHIKK-UHFFFAOYSA-N 3 2 269.393 -0.410 20 0 CBADLP C[N@H+]1CC=C(CNC(=O)NCC[NH+]2CCC([NH3+])CC2)CC1 ZINC001335623818 888586814 /nfs/dbraw/zinc/58/68/14/888586814.db2.gz VDXKDLJBAFNBKB-UHFFFAOYSA-N 3 2 295.431 -0.029 20 0 CBADLP C[N@@H+]1CC=C(CNC(=O)NCC[NH+]2CCC([NH3+])CC2)CC1 ZINC001335623818 888586820 /nfs/dbraw/zinc/58/68/20/888586820.db2.gz VDXKDLJBAFNBKB-UHFFFAOYSA-N 3 2 295.431 -0.029 20 0 CBADLP CC(C)[NH+]1CCN(C2CC[NH+](CC(N)=O)CC2)CC1 ZINC001336066878 888688908 /nfs/dbraw/zinc/68/89/08/888688908.db2.gz KORTVOGCVIWKBH-UHFFFAOYSA-N 2 2 268.405 -0.038 20 0 CBADLP C[C@@H]1CC[N@H+](CC[NH2+]C[C@@H](O)C[C@]2(O)CCOC2)C1 ZINC001336780657 888880577 /nfs/dbraw/zinc/88/05/77/888880577.db2.gz OCKQZNIGUVHDRZ-HZSPNIEDSA-N 2 2 272.389 -0.180 20 0 CBADLP C[C@@H]1CC[N@@H+](CC[NH2+]C[C@@H](O)C[C@]2(O)CCOC2)C1 ZINC001336780657 888880587 /nfs/dbraw/zinc/88/05/87/888880587.db2.gz OCKQZNIGUVHDRZ-HZSPNIEDSA-N 2 2 272.389 -0.180 20 0 CBADLP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)C(=O)NCCF ZINC001336832523 888893052 /nfs/dbraw/zinc/89/30/52/888893052.db2.gz XIMOXCCFXSVOJR-QWRGUYRKSA-N 2 2 261.341 -0.493 20 0 CBADLP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)C(=O)NCCF ZINC001336832524 888893665 /nfs/dbraw/zinc/89/36/65/888893665.db2.gz XIMOXCCFXSVOJR-WDEREUQCSA-N 2 2 261.341 -0.493 20 0 CBADLP CC[C@H]([NH3+])CNC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001336910284 888919917 /nfs/dbraw/zinc/91/99/17/888919917.db2.gz TXBIRLVZKBGZHG-JTQLQIEISA-N 3 2 257.382 -0.554 20 0 CBADLP C[C@H](O)C[N@@H+]1CCN(c2cc(N)[nH+]cn2)[C@@H](C)C1 ZINC001337939540 889100935 /nfs/dbraw/zinc/10/09/35/889100935.db2.gz PEHBWECUOYDJIK-UWVGGRQHSA-N 2 2 251.334 -0.050 20 0 CBADLP C[C@H](O)C[N@H+]1CCN(c2cc(N)[nH+]cn2)[C@@H](C)C1 ZINC001337939540 889100937 /nfs/dbraw/zinc/10/09/37/889100937.db2.gz PEHBWECUOYDJIK-UWVGGRQHSA-N 2 2 251.334 -0.050 20 0 CBADLP C[C@H]1C[N@H+](CCO)CCN1c1nccnc1C[NH3+] ZINC001338008095 889105622 /nfs/dbraw/zinc/10/56/22/889105622.db2.gz LLTPWWMSLCIRBU-JTQLQIEISA-N 2 2 251.334 -0.562 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)C1CC([NH2+]C)C1 ZINC001338375328 889151731 /nfs/dbraw/zinc/15/17/31/889151731.db2.gz WTDOXRXHLRDMRK-ILDUYXDCSA-N 2 2 269.345 -0.652 20 0 CBADLP C[C@@H]1CN(C(=O)NCC[NH+]2CCC([NH3+])CC2)CC[NH2+]1 ZINC001338686049 889191525 /nfs/dbraw/zinc/19/15/25/889191525.db2.gz AMGFRPQUKOFUCI-LLVKDONJSA-N 3 2 269.393 -0.587 20 0 CBADLP CC(C)C[C@H]([NH3+])C[NH2+]CC[C@H]1CNCCS1(=O)=O ZINC001339226867 889253932 /nfs/dbraw/zinc/25/39/32/889253932.db2.gz WFZJPMVENURVJM-RYUDHWBXSA-N 2 2 277.434 -0.274 20 0 CBADLP CC(C)C[C@@H]([NH3+])C[NH2+]CC[C@H]1CNCCS1(=O)=O ZINC001339226865 889254891 /nfs/dbraw/zinc/25/48/91/889254891.db2.gz WFZJPMVENURVJM-NEPJUHHUSA-N 2 2 277.434 -0.274 20 0 CBADLP C[C@H](CCNC(=O)CC[NH+](C)C)NC(=O)Cn1cc[nH+]c1 ZINC001448637929 913335944 /nfs/dbraw/zinc/33/59/44/913335944.db2.gz LBOYQQWXMSVTCJ-GFCCVEGCSA-N 2 2 295.387 -0.154 20 0 CBADLP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC001340043904 889368359 /nfs/dbraw/zinc/36/83/59/889368359.db2.gz CQMSLGVMEXLARX-VHSXEESVSA-N 2 2 268.317 -0.332 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1C[NH2+]CCN1C)Cn1cc[nH+]c1 ZINC001340043930 889369272 /nfs/dbraw/zinc/36/92/72/889369272.db2.gz DIODVRUVKRDJGB-NEPJUHHUSA-N 2 2 265.361 -0.461 20 0 CBADLP [NH3+]C[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC001340055793 889374298 /nfs/dbraw/zinc/37/42/98/889374298.db2.gz CZUVYEXPYHGUGJ-XQQFMLRXSA-N 2 2 267.373 -0.096 20 0 CBADLP O=C(NC[C@H]1C[NH2+]CCO1)[C@H]1[NH2+]CCc2occc21 ZINC001340471348 889437507 /nfs/dbraw/zinc/43/75/07/889437507.db2.gz KAIVTFUNDOLTHH-SKDRFNHKSA-N 2 2 265.313 -0.429 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)[C@@H]2C[C@@H]2C[NH3+])[C@@H](C)CO1 ZINC001340725013 889474567 /nfs/dbraw/zinc/47/45/67/889474567.db2.gz SIPGVZNPAVGUBH-NNYUYHANSA-N 2 2 255.362 -0.193 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)[C@@H]2C[C@@H]2C[NH3+])[C@@H](C)CO1 ZINC001340725013 889474571 /nfs/dbraw/zinc/47/45/71/889474571.db2.gz SIPGVZNPAVGUBH-NNYUYHANSA-N 2 2 255.362 -0.193 20 0 CBADLP O=C(C[C@@]1(O)CCC[NH2+]C1)NCCn1cc[nH+]c1 ZINC001340791259 889487103 /nfs/dbraw/zinc/48/71/03/889487103.db2.gz MRVHNZPWZDSHRM-LBPRGKRZSA-N 2 2 252.318 -0.496 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C1(C[NH3+])CC(O)C1 ZINC001340822142 889493039 /nfs/dbraw/zinc/49/30/39/889493039.db2.gz MSXYAUZYCSOMCX-BMQDGWLCSA-N 2 2 252.318 -0.512 20 0 CBADLP CC1(C)C[NH2+]C[C@H]1C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001341055645 889537400 /nfs/dbraw/zinc/53/74/00/889537400.db2.gz DTJAXNIBDFDGNE-LBPRGKRZSA-N 3 2 268.405 -0.229 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001341660172 889641823 /nfs/dbraw/zinc/64/18/23/889641823.db2.gz ULMRVIQBHLSYQS-RYUDHWBXSA-N 2 2 293.371 -0.415 20 0 CBADLP [NH3+]C[C@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CCO1 ZINC001341754591 889657603 /nfs/dbraw/zinc/65/76/03/889657603.db2.gz UYIJVGWVGIPHKD-JQWIXIFHSA-N 2 2 264.329 -0.368 20 0 CBADLP CN(CCNC(=O)[C@@H]1CCC[N@@H+]1C)C(=O)Cn1cc[nH+]c1 ZINC001448768511 913373565 /nfs/dbraw/zinc/37/35/65/913373565.db2.gz OOFMRIDAHYCFSQ-LBPRGKRZSA-N 2 2 293.371 -0.448 20 0 CBADLP CN(CCNC(=O)[C@@H]1CCC[N@H+]1C)C(=O)Cn1cc[nH+]c1 ZINC001448768511 913373577 /nfs/dbraw/zinc/37/35/77/913373577.db2.gz OOFMRIDAHYCFSQ-LBPRGKRZSA-N 2 2 293.371 -0.448 20 0 CBADLP C[C@H](C(=O)N[C@@H]1COC2(C[NH2+]C2)C1)n1cc[nH+]c1 ZINC001342216851 889733088 /nfs/dbraw/zinc/73/30/88/889733088.db2.gz XDPFQVVZMYIWPZ-ZJUUUORDSA-N 2 2 250.302 -0.309 20 0 CBADLP CCOCC[NH+]1CCN(C(=O)[C@]2(C)C[C@@H](O)C[NH2+]2)CC1 ZINC001343372545 889896278 /nfs/dbraw/zinc/89/62/78/889896278.db2.gz SYPWAOXZJSRRKL-OCCSQVGLSA-N 2 2 285.388 -0.720 20 0 CBADLP O=C(C[C@]1(O)CCC[NH2+]C1)NCCc1[nH]cc[nH+]1 ZINC001343432803 889906371 /nfs/dbraw/zinc/90/63/71/889906371.db2.gz VNXPEVVQDJXOCB-GFCCVEGCSA-N 2 2 252.318 -0.427 20 0 CBADLP CC1=NO[C@H](C(=O)NCC[NH+]2CCC([NH3+])CC2)C1 ZINC001344708653 890054242 /nfs/dbraw/zinc/05/42/42/890054242.db2.gz NPBPOIAQPULPSL-NSHDSACASA-N 2 2 254.334 -0.310 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)[C@H]2C[C@]23CC[NH2+]C3)CC1 ZINC001344709244 890056282 /nfs/dbraw/zinc/05/62/82/890056282.db2.gz XLGUTSLWAUBBST-OCCSQVGLSA-N 3 2 266.389 -0.475 20 0 CBADLP Cc1cn(C(C)(C)C(=O)NC[C@H](CO)[NH2+]C[C@H](C)O)c[nH+]1 ZINC001448867144 913433470 /nfs/dbraw/zinc/43/34/70/913433470.db2.gz SVCJBPDLWUDLFF-NWDGAFQWSA-N 2 2 298.387 -0.626 20 0 CBADLP Cc1cn(C(C)(C)C(=O)NC[C@@H](CO)[NH2+]C[C@@H](C)O)c[nH+]1 ZINC001448867140 913435318 /nfs/dbraw/zinc/43/53/18/913435318.db2.gz SVCJBPDLWUDLFF-NEPJUHHUSA-N 2 2 298.387 -0.626 20 0 CBADLP C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCN2C[C@@H]3C)CC[N@@H+]1C ZINC001346750476 890350793 /nfs/dbraw/zinc/35/07/93/890350793.db2.gz KTSVTBTTZVWTHX-FRRDWIJNSA-N 2 2 266.389 -0.463 20 0 CBADLP C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCN2C[C@@H]3C)CC[N@H+]1C ZINC001346750476 890350807 /nfs/dbraw/zinc/35/08/07/890350807.db2.gz KTSVTBTTZVWTHX-FRRDWIJNSA-N 2 2 266.389 -0.463 20 0 CBADLP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CCN2C[C@@H]3C)CC[NH+]1C ZINC001346750476 890350824 /nfs/dbraw/zinc/35/08/24/890350824.db2.gz KTSVTBTTZVWTHX-FRRDWIJNSA-N 2 2 266.389 -0.463 20 0 CBADLP C[C@@H]1CN(C(=O)[C@H]2C[N@H+]3CCN2C[C@@H]3C)CC[NH+]1C ZINC001346750476 890350840 /nfs/dbraw/zinc/35/08/40/890350840.db2.gz KTSVTBTTZVWTHX-FRRDWIJNSA-N 2 2 266.389 -0.463 20 0 CBADLP [NH3+]C[C@H]1OCC[C@H]1C(=O)NCCCn1cc[nH+]c1 ZINC001347157853 890418260 /nfs/dbraw/zinc/41/82/60/890418260.db2.gz WMESNOCPXVFURP-GHMZBOCLSA-N 2 2 252.318 -0.247 20 0 CBADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H](CO)[NH2+]CCF ZINC001448911079 913456060 /nfs/dbraw/zinc/45/60/60/913456060.db2.gz VJQXQTHWZFUYMW-HBNTYKKESA-N 2 2 284.335 -0.440 20 0 CBADLP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCCc1[nH]cc[nH+]1 ZINC001348831021 890709061 /nfs/dbraw/zinc/70/90/61/890709061.db2.gz PKZRDBHERZUNHA-WDEREUQCSA-N 2 2 263.345 -0.543 20 0 CBADLP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCCc1[nH]cc[nH+]1 ZINC001348831021 890709073 /nfs/dbraw/zinc/70/90/73/890709073.db2.gz PKZRDBHERZUNHA-WDEREUQCSA-N 2 2 263.345 -0.543 20 0 CBADLP CNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001448995632 913480455 /nfs/dbraw/zinc/48/04/55/913480455.db2.gz JLWMALGFIIQQEG-ZYHUDNBSSA-N 2 2 293.371 -0.333 20 0 CBADLP CNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001448995632 913480466 /nfs/dbraw/zinc/48/04/66/913480466.db2.gz JLWMALGFIIQQEG-ZYHUDNBSSA-N 2 2 293.371 -0.333 20 0 CBADLP NC(=O)NC(=O)CC[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC001348971551 890740271 /nfs/dbraw/zinc/74/02/71/890740271.db2.gz DPNMXVQUCXFDKU-SSDOTTSWSA-N 2 2 251.290 -0.558 20 0 CBADLP CNC(=O)C[NH2+]C[C@H]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001449068985 913493487 /nfs/dbraw/zinc/49/34/87/913493487.db2.gz WRTHOLIKFYVXJY-NWDGAFQWSA-N 2 2 293.371 -0.496 20 0 CBADLP C[C@@H](C(=O)N1CCN(C)C[C@@H]1C[NH3+])n1cc[nH+]c1 ZINC001349458215 890816993 /nfs/dbraw/zinc/81/69/93/890816993.db2.gz TVLJFFXPVYBWJF-QWRGUYRKSA-N 2 2 251.334 -0.455 20 0 CBADLP [NH3+]C[C@H]1CCCN1C(=O)C(=O)N1CCn2c[nH+]cc2C1 ZINC001350092518 890936126 /nfs/dbraw/zinc/93/61/26/890936126.db2.gz LIBXXSPVPALASS-SNVBAGLBSA-N 2 2 277.328 -0.825 20 0 CBADLP Cc1nc(C(=O)NCC[NH+]2CCC([NH3+])CC2)n(C)n1 ZINC001350693998 891024441 /nfs/dbraw/zinc/02/44/41/891024441.db2.gz VGECIWIUVRTSIQ-UHFFFAOYSA-N 2 2 266.349 -0.724 20 0 CBADLP O=C(NC[C@@H]1C[NH2+]CCO1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001351283416 891126562 /nfs/dbraw/zinc/12/65/62/891126562.db2.gz IZMUACVWGPMLTM-MNOVXSKESA-N 2 2 264.329 -0.450 20 0 CBADLP CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001449163533 913527442 /nfs/dbraw/zinc/52/74/42/913527442.db2.gz USZYYTKSNQPQBO-QJPTWQEYSA-N 2 2 280.372 -0.048 20 0 CBADLP C[NH2+]C[C@@](C)(O)C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC001351798620 891189069 /nfs/dbraw/zinc/18/90/69/891189069.db2.gz APUGGHRQLNBYCF-OAHLLOKOSA-N 3 2 284.448 -0.331 20 0 CBADLP CC(C)(C(N)=O)[NH+]1CCN(CC23CC(C2)C[NH2+]3)CC1 ZINC001352177415 891234619 /nfs/dbraw/zinc/23/46/19/891234619.db2.gz BDSUPYNOUZBOED-UHFFFAOYSA-N 2 2 266.389 -0.380 20 0 CBADLP CN(C[C@H](O)C[N@H+](C)CCF)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001449186865 913535763 /nfs/dbraw/zinc/53/57/63/913535763.db2.gz KJPSVOGVSZXAHQ-NEPJUHHUSA-N 2 2 291.367 -0.962 20 0 CBADLP CN(C[C@H](O)C[N@@H+](C)CCF)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001449186865 913535773 /nfs/dbraw/zinc/53/57/73/913535773.db2.gz KJPSVOGVSZXAHQ-NEPJUHHUSA-N 2 2 291.367 -0.962 20 0 CBADLP CN(C[C@H](O)C[NH+](C)CCF)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001449186865 913535786 /nfs/dbraw/zinc/53/57/86/913535786.db2.gz KJPSVOGVSZXAHQ-NEPJUHHUSA-N 2 2 291.367 -0.962 20 0 CBADLP CN(C[C@H](O)C[NH+](C)CCF)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001449186865 913535794 /nfs/dbraw/zinc/53/57/94/913535794.db2.gz KJPSVOGVSZXAHQ-NEPJUHHUSA-N 2 2 291.367 -0.962 20 0 CBADLP CC[NH2+][C@H](C)C(=O)N1CC[NH2+]C[C@@H]1C(=O)OCC ZINC001352837706 891306280 /nfs/dbraw/zinc/30/62/80/891306280.db2.gz XPRPIVNAEYNRGC-NXEZZACHSA-N 2 2 257.334 -0.652 20 0 CBADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC001353613950 891452749 /nfs/dbraw/zinc/45/27/49/891452749.db2.gz UNFXDWITHGOBEP-HBNTYKKESA-N 2 2 264.329 -0.290 20 0 CBADLP [NH3+][C@H](CC(=O)NC[C@H]1C[NH2+]CCCO1)C(F)F ZINC001353665668 891457966 /nfs/dbraw/zinc/45/79/66/891457966.db2.gz ISJLBHBGJUMOJH-HTQZYQBOSA-N 2 2 251.277 -0.536 20 0 CBADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)COCC[NH3+] ZINC001354853535 891625060 /nfs/dbraw/zinc/62/50/60/891625060.db2.gz DKNYVNSHQMPSOM-NSHDSACASA-N 2 2 259.350 -0.811 20 0 CBADLP [NH3+][C@@H](CC(=O)N1CCC[C@@]([NH3+])(CO)C1)C(F)F ZINC001355043203 891639496 /nfs/dbraw/zinc/63/94/96/891639496.db2.gz ORZHUZADQHAFFC-XVKPBYJWSA-N 2 2 251.277 -0.719 20 0 CBADLP [NH3+][C@H](CC(=O)N1CCC[C@@]([NH3+])(CO)C1)C(F)F ZINC001355043202 891639768 /nfs/dbraw/zinc/63/97/68/891639768.db2.gz ORZHUZADQHAFFC-XCBNKYQSSA-N 2 2 251.277 -0.719 20 0 CBADLP C[N@H+](CCNS(C)(=O)=O)C[C@@]1(C)CCC[NH2+]C1 ZINC001356083399 891725385 /nfs/dbraw/zinc/72/53/85/891725385.db2.gz OLOKARRBZZPMDN-NSHDSACASA-N 2 2 263.407 -0.143 20 0 CBADLP C[N@@H+](CCNS(C)(=O)=O)C[C@@]1(C)CCC[NH2+]C1 ZINC001356083399 891725393 /nfs/dbraw/zinc/72/53/93/891725393.db2.gz OLOKARRBZZPMDN-NSHDSACASA-N 2 2 263.407 -0.143 20 0 CBADLP [NH3+]C[C@@H](O)CC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC001357384324 891883143 /nfs/dbraw/zinc/88/31/43/891883143.db2.gz KPLYRGCLBBQQHH-JTQLQIEISA-N 2 2 252.318 -0.175 20 0 CBADLP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001357583509 891916647 /nfs/dbraw/zinc/91/66/47/891916647.db2.gz VIQPNYZQIMBPBJ-ZYHUDNBSSA-N 3 2 269.393 -0.459 20 0 CBADLP [NH3+]C[C@@H]1C[C@@H]1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC001357847912 891939497 /nfs/dbraw/zinc/93/94/97/891939497.db2.gz VMERGBTXYOWFKQ-SRVKXCTJSA-N 2 2 253.346 -0.486 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)C2(C(=O)NC3CC3)CC2)CC1 ZINC001358118800 891971284 /nfs/dbraw/zinc/97/12/84/891971284.db2.gz HTYQQHTUBDRQOK-UHFFFAOYSA-N 2 2 294.399 -0.416 20 0 CBADLP Cc1[nH+]cc2n1C[C@H](C(=O)N1CCNCC[NH2+]CC1)CC2 ZINC001358223744 891983392 /nfs/dbraw/zinc/98/33/92/891983392.db2.gz MAXZXLAQPGZNOM-CYBMUJFWSA-N 2 2 291.399 -0.225 20 0 CBADLP CC[N@@H+]1CC[C@@H]1C(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC001361629265 892173031 /nfs/dbraw/zinc/17/30/31/892173031.db2.gz SNHBJCZXDIJTQR-GFCCVEGCSA-N 2 2 282.388 -0.593 20 0 CBADLP CC[N@H+]1CC[C@@H]1C(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC001361629265 892173035 /nfs/dbraw/zinc/17/30/35/892173035.db2.gz SNHBJCZXDIJTQR-GFCCVEGCSA-N 2 2 282.388 -0.593 20 0 CBADLP Cn1c[nH+]cc1CCNC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O ZINC001362332938 892605342 /nfs/dbraw/zinc/60/53/42/892605342.db2.gz KCGZOUATRADOOU-CHWSQXEVSA-N 2 2 280.372 -0.076 20 0 CBADLP Cn1c[nH+]cc1CCNC(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O ZINC001362332938 892605346 /nfs/dbraw/zinc/60/53/46/892605346.db2.gz KCGZOUATRADOOU-CHWSQXEVSA-N 2 2 280.372 -0.076 20 0 CBADLP CC[N@H+]1CC[C@@H]1C(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC001450605677 913719266 /nfs/dbraw/zinc/71/92/66/913719266.db2.gz RDCDDJCLRZBVNC-NWDGAFQWSA-N 2 2 255.362 -0.347 20 0 CBADLP C[N@@H+]1CCN(C(=O)CC[NH+]2CC[C@@H](F)C2)[C@@H](CO)C1 ZINC001363041172 893292038 /nfs/dbraw/zinc/29/20/38/893292038.db2.gz OEOYEFLEFRVOIU-VXGBXAGGSA-N 2 2 273.352 -0.445 20 0 CBADLP C[N@H+]1CCN(C(=O)CC[NH+]2CC[C@@H](F)C2)[C@@H](CO)C1 ZINC001363041172 893292052 /nfs/dbraw/zinc/29/20/52/893292052.db2.gz OEOYEFLEFRVOIU-VXGBXAGGSA-N 2 2 273.352 -0.445 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@@H](F)C2)[C@@H](CO)C1 ZINC001363041172 893292067 /nfs/dbraw/zinc/29/20/67/893292067.db2.gz OEOYEFLEFRVOIU-VXGBXAGGSA-N 2 2 273.352 -0.445 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@@H](F)C2)[C@@H](CO)C1 ZINC001363041172 893292085 /nfs/dbraw/zinc/29/20/85/893292085.db2.gz OEOYEFLEFRVOIU-VXGBXAGGSA-N 2 2 273.352 -0.445 20 0 CBADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC001363092723 893344550 /nfs/dbraw/zinc/34/45/50/893344550.db2.gz QFIAZCDUJYERKQ-QJPTWQEYSA-N 2 2 278.356 -0.294 20 0 CBADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC001363092723 893344567 /nfs/dbraw/zinc/34/45/67/893344567.db2.gz QFIAZCDUJYERKQ-QJPTWQEYSA-N 2 2 278.356 -0.294 20 0 CBADLP C[C@@H](NC(=O)C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1)C(=O)N(C)C ZINC001363294984 893551994 /nfs/dbraw/zinc/55/19/94/893551994.db2.gz XYXQQUJLUOTBJZ-UPJWGTAASA-N 2 2 296.415 -0.537 20 0 CBADLP C[C@@H](NC(=O)C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1)C(=O)N(C)C ZINC001363294984 893552010 /nfs/dbraw/zinc/55/20/10/893552010.db2.gz XYXQQUJLUOTBJZ-UPJWGTAASA-N 2 2 296.415 -0.537 20 0 CBADLP C[C@@H](NC(=O)C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1)C(=O)N(C)C ZINC001363294984 893552029 /nfs/dbraw/zinc/55/20/29/893552029.db2.gz XYXQQUJLUOTBJZ-UPJWGTAASA-N 2 2 296.415 -0.537 20 0 CBADLP C[C@@H](NC(=O)C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1)C(=O)N(C)C ZINC001363294984 893552047 /nfs/dbraw/zinc/55/20/47/893552047.db2.gz XYXQQUJLUOTBJZ-UPJWGTAASA-N 2 2 296.415 -0.537 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC001363325718 893585556 /nfs/dbraw/zinc/58/55/56/893585556.db2.gz PPSYOLCZSPNBMF-YIYPIFLZSA-N 2 2 272.389 -0.372 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC001363325718 893585576 /nfs/dbraw/zinc/58/55/76/893585576.db2.gz PPSYOLCZSPNBMF-YIYPIFLZSA-N 2 2 272.389 -0.372 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC001363325718 893585593 /nfs/dbraw/zinc/58/55/93/893585593.db2.gz PPSYOLCZSPNBMF-YIYPIFLZSA-N 2 2 272.389 -0.372 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC001363325718 893585600 /nfs/dbraw/zinc/58/56/00/893585600.db2.gz PPSYOLCZSPNBMF-YIYPIFLZSA-N 2 2 272.389 -0.372 20 0 CBADLP CC[N@@H+]1CC[C@H]1C(=O)N1CC[NH+](C)C[C@@H](C(=O)OC)C1 ZINC001363446551 893688389 /nfs/dbraw/zinc/68/83/89/893688389.db2.gz BOEVSBUAWWAPLK-NEPJUHHUSA-N 2 2 283.372 -0.356 20 0 CBADLP CC[N@H+]1CC[C@H]1C(=O)N1CC[NH+](C)C[C@@H](C(=O)OC)C1 ZINC001363446551 893688390 /nfs/dbraw/zinc/68/83/90/893688390.db2.gz BOEVSBUAWWAPLK-NEPJUHHUSA-N 2 2 283.372 -0.356 20 0 CBADLP CC[NH+]1CC[C@H]1C(=O)N1CC[N@H+](C)C[C@@H](C(=O)OC)C1 ZINC001363446551 893688395 /nfs/dbraw/zinc/68/83/95/893688395.db2.gz BOEVSBUAWWAPLK-NEPJUHHUSA-N 2 2 283.372 -0.356 20 0 CBADLP CC[NH+]1CC[C@H]1C(=O)N1CC[N@@H+](C)C[C@@H](C(=O)OC)C1 ZINC001363446551 893688398 /nfs/dbraw/zinc/68/83/98/893688398.db2.gz BOEVSBUAWWAPLK-NEPJUHHUSA-N 2 2 283.372 -0.356 20 0 CBADLP COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001363730292 893946959 /nfs/dbraw/zinc/94/69/59/893946959.db2.gz QMRSOYFUHBZAMO-CMPLNLGQSA-N 2 2 294.355 -0.048 20 0 CBADLP COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001363730292 893946968 /nfs/dbraw/zinc/94/69/68/893946968.db2.gz QMRSOYFUHBZAMO-CMPLNLGQSA-N 2 2 294.355 -0.048 20 0 CBADLP COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001363730292 893946979 /nfs/dbraw/zinc/94/69/79/893946979.db2.gz QMRSOYFUHBZAMO-CMPLNLGQSA-N 2 2 294.355 -0.048 20 0 CBADLP COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001363730292 893946986 /nfs/dbraw/zinc/94/69/86/893946986.db2.gz QMRSOYFUHBZAMO-CMPLNLGQSA-N 2 2 294.355 -0.048 20 0 CBADLP OC[C@@]12COCCN1CC[N@H+](CCCn1cc[nH+]c1)C2 ZINC001363843666 894052607 /nfs/dbraw/zinc/05/26/07/894052607.db2.gz GTNLFSKZINBCLU-AWEZNQCLSA-N 2 2 280.372 -0.348 20 0 CBADLP OC[C@@]12COCCN1CC[N@@H+](CCCn1cc[nH+]c1)C2 ZINC001363843666 894052628 /nfs/dbraw/zinc/05/26/28/894052628.db2.gz GTNLFSKZINBCLU-AWEZNQCLSA-N 2 2 280.372 -0.348 20 0 CBADLP CC(C)[N@@H+](C)C[C@@H](C)NS(=O)(=O)N1CC[NH+](C)CC1 ZINC001363861367 894068956 /nfs/dbraw/zinc/06/89/56/894068956.db2.gz AQJYTQPEJFBHBW-GFCCVEGCSA-N 2 2 292.449 -0.203 20 0 CBADLP CC(C)[N@H+](C)C[C@@H](C)NS(=O)(=O)N1CC[NH+](C)CC1 ZINC001363861367 894068970 /nfs/dbraw/zinc/06/89/70/894068970.db2.gz AQJYTQPEJFBHBW-GFCCVEGCSA-N 2 2 292.449 -0.203 20 0 CBADLP O[C@H]1COC[C@H]1[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001363919706 894096665 /nfs/dbraw/zinc/09/66/65/894096665.db2.gz FRBLQUPJNHADMS-MJBXVCDLSA-N 2 2 270.373 -0.021 20 0 CBADLP C[C@H]1C[C@@H](NS(=O)(=O)N2CC[NH+](C)CC2)CC[N@@H+]1C ZINC001363934434 894103332 /nfs/dbraw/zinc/10/33/32/894103332.db2.gz BKYBADDATCMSJU-RYUDHWBXSA-N 2 2 290.433 -0.449 20 0 CBADLP C[C@H]1C[C@@H](NS(=O)(=O)N2CC[NH+](C)CC2)CC[N@H+]1C ZINC001363934434 894103340 /nfs/dbraw/zinc/10/33/40/894103340.db2.gz BKYBADDATCMSJU-RYUDHWBXSA-N 2 2 290.433 -0.449 20 0 CBADLP C[C@@H]1C[N@H+](CCN2CC[NH+](CCO)C[C@H]2C)CCO1 ZINC001364445997 894428416 /nfs/dbraw/zinc/42/84/16/894428416.db2.gz NMYOFDGMZJBKNX-ZIAGYGMSSA-N 2 2 271.405 -0.295 20 0 CBADLP C[C@@H]1C[N@@H+](CCN2CC[NH+](CCO)C[C@H]2C)CCO1 ZINC001364445997 894428425 /nfs/dbraw/zinc/42/84/25/894428425.db2.gz NMYOFDGMZJBKNX-ZIAGYGMSSA-N 2 2 271.405 -0.295 20 0 CBADLP C[C@@H]1C[NH+](CCN2CC[N@H+](CCO)C[C@H]2C)CCO1 ZINC001364445997 894428431 /nfs/dbraw/zinc/42/84/31/894428431.db2.gz NMYOFDGMZJBKNX-ZIAGYGMSSA-N 2 2 271.405 -0.295 20 0 CBADLP C[C@@H]1C[NH+](CCN2CC[N@@H+](CCO)C[C@H]2C)CCO1 ZINC001364445997 894428440 /nfs/dbraw/zinc/42/84/40/894428440.db2.gz NMYOFDGMZJBKNX-ZIAGYGMSSA-N 2 2 271.405 -0.295 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H]2C(=O)OC[C@@H]2C1 ZINC001364486915 894454221 /nfs/dbraw/zinc/45/42/21/894454221.db2.gz NASNIDPHPCSJED-TUAOUCFPSA-N 2 2 272.345 -0.970 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H]2C(=O)OC[C@@H]2C1 ZINC001364486915 894454232 /nfs/dbraw/zinc/45/42/32/894454232.db2.gz NASNIDPHPCSJED-TUAOUCFPSA-N 2 2 272.345 -0.970 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H]2C(=O)OC[C@@H]2C1 ZINC001364486915 894454237 /nfs/dbraw/zinc/45/42/37/894454237.db2.gz NASNIDPHPCSJED-TUAOUCFPSA-N 2 2 272.345 -0.970 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H]2C(=O)OC[C@@H]2C1 ZINC001364486915 894454246 /nfs/dbraw/zinc/45/42/46/894454246.db2.gz NASNIDPHPCSJED-TUAOUCFPSA-N 2 2 272.345 -0.970 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCN1CCN(CC[NH+](C)C)C(=O)C1 ZINC001364741686 894592814 /nfs/dbraw/zinc/59/28/14/894592814.db2.gz IYZXQAIRFLSICU-AWEZNQCLSA-N 2 2 298.431 -0.587 20 0 CBADLP C[C@H]1COCC[N@H+]1CCN1CCN(CC[NH+](C)C)C(=O)C1 ZINC001364741686 894592824 /nfs/dbraw/zinc/59/28/24/894592824.db2.gz IYZXQAIRFLSICU-AWEZNQCLSA-N 2 2 298.431 -0.587 20 0 CBADLP C[C@@H]1CC[N@H+](CCNS(=O)(=O)N2CC[NH+](C)CC2)C1 ZINC001364811372 894628422 /nfs/dbraw/zinc/62/84/22/894628422.db2.gz JRDXPKCAPHPPAU-GFCCVEGCSA-N 2 2 290.433 -0.590 20 0 CBADLP C[C@@H]1CC[N@@H+](CCNS(=O)(=O)N2CC[NH+](C)CC2)C1 ZINC001364811372 894628428 /nfs/dbraw/zinc/62/84/28/894628428.db2.gz JRDXPKCAPHPPAU-GFCCVEGCSA-N 2 2 290.433 -0.590 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CC([NH2+]C2CCOCC2)C1 ZINC001364846131 894650000 /nfs/dbraw/zinc/65/00/00/894650000.db2.gz PKBACVLYWKESFN-UHFFFAOYSA-N 2 2 278.356 -0.058 20 0 CBADLP CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001365949863 895149947 /nfs/dbraw/zinc/14/99/47/895149947.db2.gz OOOBFKBVECDNGN-STQMWFEESA-N 2 2 296.415 -0.345 20 0 CBADLP CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001365949863 895149955 /nfs/dbraw/zinc/14/99/55/895149955.db2.gz OOOBFKBVECDNGN-STQMWFEESA-N 2 2 296.415 -0.345 20 0 CBADLP CCNC(=O)C[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001365949863 895149959 /nfs/dbraw/zinc/14/99/59/895149959.db2.gz OOOBFKBVECDNGN-STQMWFEESA-N 2 2 296.415 -0.345 20 0 CBADLP CCNC(=O)C[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001365949863 895149964 /nfs/dbraw/zinc/14/99/64/895149964.db2.gz OOOBFKBVECDNGN-STQMWFEESA-N 2 2 296.415 -0.345 20 0 CBADLP CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001365949851 895150487 /nfs/dbraw/zinc/15/04/87/895150487.db2.gz OOOBFKBVECDNGN-CHWSQXEVSA-N 2 2 296.415 -0.345 20 0 CBADLP CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001365949851 895150491 /nfs/dbraw/zinc/15/04/91/895150491.db2.gz OOOBFKBVECDNGN-CHWSQXEVSA-N 2 2 296.415 -0.345 20 0 CBADLP CCNC(=O)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001365949851 895150494 /nfs/dbraw/zinc/15/04/94/895150494.db2.gz OOOBFKBVECDNGN-CHWSQXEVSA-N 2 2 296.415 -0.345 20 0 CBADLP CCNC(=O)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001365949851 895150497 /nfs/dbraw/zinc/15/04/97/895150497.db2.gz OOOBFKBVECDNGN-CHWSQXEVSA-N 2 2 296.415 -0.345 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001365980984 895162369 /nfs/dbraw/zinc/16/23/69/895162369.db2.gz SAJVXONBDUOQDS-NEPJUHHUSA-N 2 2 296.415 -0.204 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001365980984 895162382 /nfs/dbraw/zinc/16/23/82/895162382.db2.gz SAJVXONBDUOQDS-NEPJUHHUSA-N 2 2 296.415 -0.204 20 0 CBADLP CCCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001366001760 895169521 /nfs/dbraw/zinc/16/95/21/895169521.db2.gz FKMHZCFUDNQMCQ-CYBMUJFWSA-N 2 2 296.415 -0.201 20 0 CBADLP CCCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001366001760 895169525 /nfs/dbraw/zinc/16/95/25/895169525.db2.gz FKMHZCFUDNQMCQ-CYBMUJFWSA-N 2 2 296.415 -0.201 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001366161378 895213405 /nfs/dbraw/zinc/21/34/05/895213405.db2.gz HBCPMDJHJAZXIL-BBBLOLIVSA-N 2 2 279.344 -0.677 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001366189371 895217018 /nfs/dbraw/zinc/21/70/18/895217018.db2.gz QIICGMBTKDFLSG-NSHDSACASA-N 2 2 293.371 -0.724 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001366189371 895217035 /nfs/dbraw/zinc/21/70/35/895217035.db2.gz QIICGMBTKDFLSG-NSHDSACASA-N 2 2 293.371 -0.724 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001366189368 895217341 /nfs/dbraw/zinc/21/73/41/895217341.db2.gz QIICGMBTKDFLSG-LLVKDONJSA-N 2 2 293.371 -0.724 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001366189368 895217359 /nfs/dbraw/zinc/21/73/59/895217359.db2.gz QIICGMBTKDFLSG-LLVKDONJSA-N 2 2 293.371 -0.724 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC[C@@H]1CCCC[N@@H+]1CC(N)=O ZINC001366207683 895220755 /nfs/dbraw/zinc/22/07/55/895220755.db2.gz JPTGKNWJLBSXMX-LBPRGKRZSA-N 2 2 293.371 -0.352 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC[C@@H]1CCCC[N@H+]1CC(N)=O ZINC001366207683 895220773 /nfs/dbraw/zinc/22/07/73/895220773.db2.gz JPTGKNWJLBSXMX-LBPRGKRZSA-N 2 2 293.371 -0.352 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]Cc1nccn1C ZINC001366264806 895245561 /nfs/dbraw/zinc/24/55/61/895245561.db2.gz QEUPXODFYWVQRP-NWDGAFQWSA-N 2 2 295.387 -0.655 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]Cc1nccn1C ZINC001366264806 895245578 /nfs/dbraw/zinc/24/55/78/895245578.db2.gz QEUPXODFYWVQRP-NWDGAFQWSA-N 2 2 295.387 -0.655 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]CC(=O)N(C)C ZINC001366300121 895266253 /nfs/dbraw/zinc/26/62/53/895266253.db2.gz ZZRYIXPGNKBISS-HBNTYKKESA-N 2 2 293.371 -0.304 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NC[C@@H](C)[NH2+]Cc1cnn(C)n1 ZINC001366307499 895267035 /nfs/dbraw/zinc/26/70/35/895267035.db2.gz XBADYPSTBCRXAT-SNVBAGLBSA-N 2 2 291.359 -0.385 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]CC(=O)N(C)C ZINC001366300120 895268940 /nfs/dbraw/zinc/26/89/40/895268940.db2.gz ZZRYIXPGNKBISS-GMTAPVOTSA-N 2 2 293.371 -0.304 20 0 CBADLP CCN(CC)C(=O)C[NH2+][C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001366341507 895284972 /nfs/dbraw/zinc/28/49/72/895284972.db2.gz MCXXPJWLIGTOQL-NSHDSACASA-N 2 2 295.387 -0.085 20 0 CBADLP COC[C@@H](O)C[NH2+][C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001366351960 895288584 /nfs/dbraw/zinc/28/85/84/895288584.db2.gz WKIWMRHYUBAOJV-KOLCDFICSA-N 2 2 270.333 -0.946 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC[C@H](C)[NH2+]Cc1ncnn1C ZINC001366355394 895291801 /nfs/dbraw/zinc/29/18/01/895291801.db2.gz CPZVCDFLRZMQPQ-JTQLQIEISA-N 2 2 291.359 -0.385 20 0 CBADLP CCNC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001366385208 895306991 /nfs/dbraw/zinc/30/69/91/895306991.db2.gz LKTCJTRGCLWWKC-JTQLQIEISA-N 2 2 279.344 -0.721 20 0 CBADLP CNC(=O)C[NH2+][C@@H]1CCC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001366427509 895315785 /nfs/dbraw/zinc/31/57/85/895315785.db2.gz LZCWHNNHXCPCPU-GHMZBOCLSA-N 2 2 293.371 -0.285 20 0 CBADLP CNC(=O)C[NH2+][C@H]1CCC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001366427532 895318452 /nfs/dbraw/zinc/31/84/52/895318452.db2.gz LZCWHNNHXCPCPU-QWRGUYRKSA-N 2 2 293.371 -0.285 20 0 CBADLP CNC(=O)C[NH2+][C@@H]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001366443393 895319998 /nfs/dbraw/zinc/31/99/98/895319998.db2.gz YBYBQJKPEUDIEK-NEPJUHHUSA-N 2 2 293.371 -0.354 20 0 CBADLP C[C@H](CCNC(=O)CCc1c[nH]c[nH+]1)[NH2+][C@H]1CCNC1=O ZINC001366458538 895325156 /nfs/dbraw/zinc/32/51/56/895325156.db2.gz DKAWLAKJOKGBMZ-PWSUYJOCSA-N 2 2 293.371 -0.285 20 0 CBADLP C[C@H](CCNC(=O)CCc1c[nH+]c[nH]1)[NH2+][C@H]1CCNC1=O ZINC001366458538 895325168 /nfs/dbraw/zinc/32/51/68/895325168.db2.gz DKAWLAKJOKGBMZ-PWSUYJOCSA-N 2 2 293.371 -0.285 20 0 CBADLP C[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C1CCCC1)CC(N)=O ZINC001366535924 895363945 /nfs/dbraw/zinc/36/39/45/895363945.db2.gz IBRMRLUYROWXPM-CYBMUJFWSA-N 2 2 296.415 -0.073 20 0 CBADLP C[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C1CCCC1)CC(N)=O ZINC001366535924 895363958 /nfs/dbraw/zinc/36/39/58/895363958.db2.gz IBRMRLUYROWXPM-CYBMUJFWSA-N 2 2 296.415 -0.073 20 0 CBADLP C[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)CC(N)=O ZINC001366535924 895363969 /nfs/dbraw/zinc/36/39/69/895363969.db2.gz IBRMRLUYROWXPM-CYBMUJFWSA-N 2 2 296.415 -0.073 20 0 CBADLP C[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)CC(N)=O ZINC001366535924 895363983 /nfs/dbraw/zinc/36/39/83/895363983.db2.gz IBRMRLUYROWXPM-CYBMUJFWSA-N 2 2 296.415 -0.073 20 0 CBADLP Cc1[nH+]ccn1CCCC(=O)NCC[N@@H+](C)[C@@H](C)C(N)=O ZINC001366580173 895395082 /nfs/dbraw/zinc/39/50/82/895395082.db2.gz IMTOXHXIUSRIGB-NSHDSACASA-N 2 2 295.387 -0.106 20 0 CBADLP Cc1[nH+]ccn1CCCC(=O)NCC[N@H+](C)[C@@H](C)C(N)=O ZINC001366580173 895395091 /nfs/dbraw/zinc/39/50/91/895395091.db2.gz IMTOXHXIUSRIGB-NSHDSACASA-N 2 2 295.387 -0.106 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NCC[N@@H+](C)CC(=O)N1CCC1 ZINC001366588025 895396185 /nfs/dbraw/zinc/39/61/85/895396185.db2.gz SOAJDJUPXSHNGZ-UHFFFAOYSA-N 2 2 293.371 -0.528 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NCC[N@H+](C)CC(=O)N1CCC1 ZINC001366588025 895396204 /nfs/dbraw/zinc/39/62/04/895396204.db2.gz SOAJDJUPXSHNGZ-UHFFFAOYSA-N 2 2 293.371 -0.528 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001366674920 895426789 /nfs/dbraw/zinc/42/67/89/895426789.db2.gz GBBQYDHFCTVUBJ-MNOVXSKESA-N 2 2 279.344 -0.663 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001366674920 895426791 /nfs/dbraw/zinc/42/67/91/895426791.db2.gz GBBQYDHFCTVUBJ-MNOVXSKESA-N 2 2 279.344 -0.663 20 0 CBADLP CN(CC[NH2+][C@@H]1CCCNC1=O)C(=O)Cn1cc[nH+]c1 ZINC001366775104 895456190 /nfs/dbraw/zinc/45/61/90/895456190.db2.gz MQXJDABOGBAXGM-LLVKDONJSA-N 2 2 279.344 -0.790 20 0 CBADLP CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)CC[NH+](C)C)C2 ZINC001366794089 895463193 /nfs/dbraw/zinc/46/31/93/895463193.db2.gz BJRWRWAJYNZHAH-BETUJISGSA-N 2 2 296.415 -0.299 20 0 CBADLP CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)CC[NH+](C)C)C2 ZINC001366794089 895463200 /nfs/dbraw/zinc/46/32/00/895463200.db2.gz BJRWRWAJYNZHAH-BETUJISGSA-N 2 2 296.415 -0.299 20 0 CBADLP C[C@@H]([NH2+]CCN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1)C(N)=O ZINC001366835254 895468238 /nfs/dbraw/zinc/46/82/38/895468238.db2.gz XMFQTTFTQGTPSN-MNOVXSKESA-N 2 2 293.371 -0.633 20 0 CBADLP CC[C@H](C(=O)NCC1C[NH+](CC(=O)N2CCC2)C1)[NH+](C)C ZINC001366975956 895511301 /nfs/dbraw/zinc/51/13/01/895511301.db2.gz UJTNRUUUGYQLDK-CYBMUJFWSA-N 2 2 296.415 -0.393 20 0 CBADLP COC[C@H](O)C[NH+]1CC(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001366970486 895511680 /nfs/dbraw/zinc/51/16/80/895511680.db2.gz DBMIVBKGUPDWAJ-CYBMUJFWSA-N 2 2 296.371 -0.672 20 0 CBADLP CCNC(=O)C[NH+]1CC(CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001366982278 895516123 /nfs/dbraw/zinc/51/61/23/895516123.db2.gz ATUFOYWBZJOEJL-LBPRGKRZSA-N 2 2 296.415 -0.488 20 0 CBADLP CCNC(=O)C[NH+]1CC(CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001366982278 895516132 /nfs/dbraw/zinc/51/61/32/895516132.db2.gz ATUFOYWBZJOEJL-LBPRGKRZSA-N 2 2 296.415 -0.488 20 0 CBADLP CNC(=O)C[NH+]1CC(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001366987078 895516826 /nfs/dbraw/zinc/51/68/26/895516826.db2.gz WUNVTKIZQKONBN-ZDUSSCGKSA-N 2 2 284.404 -0.633 20 0 CBADLP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CC(N)=O)C1 ZINC001367022112 895529817 /nfs/dbraw/zinc/52/98/17/895529817.db2.gz FOGUYDOLPVRIBD-NSHDSACASA-N 2 2 270.377 -0.606 20 0 CBADLP CCC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](CC(N)=O)C1 ZINC001367022112 895529832 /nfs/dbraw/zinc/52/98/32/895529832.db2.gz FOGUYDOLPVRIBD-NSHDSACASA-N 2 2 270.377 -0.606 20 0 CBADLP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001367022112 895529849 /nfs/dbraw/zinc/52/98/49/895529849.db2.gz FOGUYDOLPVRIBD-NSHDSACASA-N 2 2 270.377 -0.606 20 0 CBADLP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001367022112 895529862 /nfs/dbraw/zinc/52/98/62/895529862.db2.gz FOGUYDOLPVRIBD-NSHDSACASA-N 2 2 270.377 -0.606 20 0 CBADLP CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001367045409 895546683 /nfs/dbraw/zinc/54/66/83/895546683.db2.gz DFTMHBGVSQNKFY-CHWSQXEVSA-N 2 2 296.415 -0.251 20 0 CBADLP CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001367045409 895546692 /nfs/dbraw/zinc/54/66/92/895546692.db2.gz DFTMHBGVSQNKFY-CHWSQXEVSA-N 2 2 296.415 -0.251 20 0 CBADLP CCNC(=O)C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001367045409 895546700 /nfs/dbraw/zinc/54/67/00/895546700.db2.gz DFTMHBGVSQNKFY-CHWSQXEVSA-N 2 2 296.415 -0.251 20 0 CBADLP CCNC(=O)C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001367045409 895546707 /nfs/dbraw/zinc/54/67/07/895546707.db2.gz DFTMHBGVSQNKFY-CHWSQXEVSA-N 2 2 296.415 -0.251 20 0 CBADLP CC[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]Cc1ccon1 ZINC001367092138 895563095 /nfs/dbraw/zinc/56/30/95/895563095.db2.gz WGZCIBMYIDOAHO-AAEUAGOBSA-N 2 2 296.371 -0.010 20 0 CBADLP CC[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]Cc1ccon1 ZINC001367092138 895563099 /nfs/dbraw/zinc/56/30/99/895563099.db2.gz WGZCIBMYIDOAHO-AAEUAGOBSA-N 2 2 296.371 -0.010 20 0 CBADLP CC[C@@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+][C@@H](CC)C(N)=O ZINC001367137641 895574647 /nfs/dbraw/zinc/57/46/47/895574647.db2.gz LMSHFYCMNKAKKR-JQWIXIFHSA-N 2 2 295.387 -0.289 20 0 CBADLP CC[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+][C@@H]1CCN(C)C1=O ZINC001367152759 895577611 /nfs/dbraw/zinc/57/76/11/895577611.db2.gz MDQJWUMTEIJKNN-NWDGAFQWSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@H]([NH2+]CC1(NC(=O)Cc2[nH]cc[nH+]2)CCCC1)C(N)=O ZINC001367162450 895578429 /nfs/dbraw/zinc/57/84/29/895578429.db2.gz VTSCZVGPPIXHHR-JTQLQIEISA-N 2 2 293.371 -0.155 20 0 CBADLP CC[C@H](C(=O)NC[C@@H]1C[N@H+](CCCO)CCO1)[NH+](C)C ZINC001367306505 895611487 /nfs/dbraw/zinc/61/14/87/895611487.db2.gz YGQSQPDSSNKCGV-CHWSQXEVSA-N 2 2 287.404 -0.474 20 0 CBADLP CC[C@H](C(=O)NC[C@@H]1C[N@@H+](CCCO)CCO1)[NH+](C)C ZINC001367306505 895611493 /nfs/dbraw/zinc/61/14/93/895611493.db2.gz YGQSQPDSSNKCGV-CHWSQXEVSA-N 2 2 287.404 -0.474 20 0 CBADLP C[C@H](C[NH2+]CC(N)=O)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001367352504 895622776 /nfs/dbraw/zinc/62/27/76/895622776.db2.gz AJKCGYQDOAVHML-OPRDCNLKSA-N 2 2 279.344 -0.565 20 0 CBADLP C[C@H](C[NH2+]CC(N)=O)N(C)C(=O)CCCn1cc[nH+]c1 ZINC001367406847 895632136 /nfs/dbraw/zinc/63/21/36/895632136.db2.gz PEPHBIWKWMIXBL-LLVKDONJSA-N 2 2 281.360 -0.415 20 0 CBADLP C[C@@H](C[NH2+]CC(N)=O)N(C)C(=O)CCCn1cc[nH+]c1 ZINC001367406850 895633196 /nfs/dbraw/zinc/63/31/96/895633196.db2.gz PEPHBIWKWMIXBL-NSHDSACASA-N 2 2 281.360 -0.415 20 0 CBADLP CNC(=O)C[NH2+]C[C@H](CC(C)C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001367417957 895635404 /nfs/dbraw/zinc/63/54/04/895635404.db2.gz DXBWTPZABSXHHK-NSHDSACASA-N 2 2 295.387 -0.181 20 0 CBADLP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)CC[NH+](C)CC(N)=O)C1 ZINC001367532457 895656871 /nfs/dbraw/zinc/65/68/71/895656871.db2.gz FGKITMUBKBUZPO-CYBMUJFWSA-N 2 2 298.431 -0.016 20 0 CBADLP CCC[N@H+]1CCC[C@@H](C(=O)N(C)CC[NH+](C)CC(N)=O)C1 ZINC001367532457 895656877 /nfs/dbraw/zinc/65/68/77/895656877.db2.gz FGKITMUBKBUZPO-CYBMUJFWSA-N 2 2 298.431 -0.016 20 0 CBADLP CCC[NH+]1CCC[C@@H](C(=O)N(C)CC[N@H+](C)CC(N)=O)C1 ZINC001367532457 895656880 /nfs/dbraw/zinc/65/68/80/895656880.db2.gz FGKITMUBKBUZPO-CYBMUJFWSA-N 2 2 298.431 -0.016 20 0 CBADLP CCC[NH+]1CCC[C@@H](C(=O)N(C)CC[N@@H+](C)CC(N)=O)C1 ZINC001367532457 895656886 /nfs/dbraw/zinc/65/68/86/895656886.db2.gz FGKITMUBKBUZPO-CYBMUJFWSA-N 2 2 298.431 -0.016 20 0 CBADLP CC(C)[NH+]1CCC(C(=O)N(C)CC[N@H+](C)CC(N)=O)CC1 ZINC001367540707 895658174 /nfs/dbraw/zinc/65/81/74/895658174.db2.gz GNPQUCHJEIYPOS-UHFFFAOYSA-N 2 2 298.431 -0.018 20 0 CBADLP CC(C)[NH+]1CCC(C(=O)N(C)CC[N@@H+](C)CC(N)=O)CC1 ZINC001367540707 895658183 /nfs/dbraw/zinc/65/81/83/895658183.db2.gz GNPQUCHJEIYPOS-UHFFFAOYSA-N 2 2 298.431 -0.018 20 0 CBADLP CC[C@H](C(N)=O)[N@H+](C)CCN(C)C(=O)Cn1cc[nH+]c1 ZINC001367553140 895661890 /nfs/dbraw/zinc/66/18/90/895661890.db2.gz NTFHPVOMZQWUCB-LLVKDONJSA-N 2 2 281.360 -0.463 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)Cn1cc[nH+]c1 ZINC001367553140 895661901 /nfs/dbraw/zinc/66/19/01/895661901.db2.gz NTFHPVOMZQWUCB-LLVKDONJSA-N 2 2 281.360 -0.463 20 0 CBADLP NC(=O)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC001367565315 895669491 /nfs/dbraw/zinc/66/94/91/895669491.db2.gz RNZIRRALMWIIIN-QWRGUYRKSA-N 2 2 279.344 -0.757 20 0 CBADLP Cc1noc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001367608819 895701094 /nfs/dbraw/zinc/70/10/94/895701094.db2.gz SNCSDDVCRHUPQT-GHMZBOCLSA-N 2 2 297.359 -0.961 20 0 CBADLP Cc1noc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001367608819 895701110 /nfs/dbraw/zinc/70/11/10/895701110.db2.gz SNCSDDVCRHUPQT-GHMZBOCLSA-N 2 2 297.359 -0.961 20 0 CBADLP COC[C@H](C)[NH2+]C[C@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001367609479 895701744 /nfs/dbraw/zinc/70/17/44/895701744.db2.gz HFEKNNIILQGNBX-ONGXEEELSA-N 2 2 270.333 -0.946 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@H](O)C[NH2+]Cc1ccns1 ZINC001367624031 895708798 /nfs/dbraw/zinc/70/87/98/895708798.db2.gz ACJBVQOUHJGBQG-SNVBAGLBSA-N 2 2 295.368 -0.394 20 0 CBADLP CO[C@@H](C)C[NH2+]C[C@@H](O)CNC(=O)Cc1c[nH+]cn1C ZINC001367624457 895710288 /nfs/dbraw/zinc/71/02/88/895710288.db2.gz QCOBUWQIVDEAAG-CMPLNLGQSA-N 2 2 284.360 -0.936 20 0 CBADLP CCN(CC[NH2+][C@@H](C)C(=O)N(C)C)C(=O)Cc1[nH]cc[nH+]1 ZINC001367655056 895724583 /nfs/dbraw/zinc/72/45/83/895724583.db2.gz JLRCRSJBAHNYEP-NSHDSACASA-N 2 2 295.387 -0.133 20 0 CBADLP CC[C@H]([NH2+]CCN(CC)C(=O)Cc1[nH]cc[nH+]1)C(N)=O ZINC001367659841 895731203 /nfs/dbraw/zinc/73/12/03/895731203.db2.gz QIAXEXHKZDRZHA-JTQLQIEISA-N 2 2 281.360 -0.346 20 0 CBADLP C[C@H](C[NH2+]Cc1cncn1C)NC(=O)Cc1c[nH+]cn1C ZINC001367708749 895759650 /nfs/dbraw/zinc/75/96/50/895759650.db2.gz ZYDHANVKLCWWRI-LLVKDONJSA-N 2 2 290.371 -0.009 20 0 CBADLP C[C@@H](C[NH2+]Cc1ccn(C)n1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001367729081 895776632 /nfs/dbraw/zinc/77/66/32/895776632.db2.gz LPOZZKSUAVNUFU-AAEUAGOBSA-N 2 2 295.387 -0.655 20 0 CBADLP C[C@@H](C[NH2+]Cc1ccn(C)n1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001367729081 895776636 /nfs/dbraw/zinc/77/66/36/895776636.db2.gz LPOZZKSUAVNUFU-AAEUAGOBSA-N 2 2 295.387 -0.655 20 0 CBADLP CCCNC(=O)C[NH2+]C[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001367762691 895796005 /nfs/dbraw/zinc/79/60/05/895796005.db2.gz GMHXJEPOXFUAAK-JTQLQIEISA-N 2 2 281.360 -0.427 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@@H](C)C[NH2+]Cc1nnnn1C ZINC001367772450 895800103 /nfs/dbraw/zinc/80/01/03/895800103.db2.gz SUMDCVQVEWGONX-VIFPVBQESA-N 2 2 292.347 -0.990 20 0 CBADLP CN(C)C(=O)C[N@@H+]1CC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001367961081 895870079 /nfs/dbraw/zinc/87/00/79/895870079.db2.gz OBZIYDMXHOWOLX-GFCCVEGCSA-N 2 2 284.404 -0.393 20 0 CBADLP CN(C)C(=O)C[N@H+]1CC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001367961081 895870089 /nfs/dbraw/zinc/87/00/89/895870089.db2.gz OBZIYDMXHOWOLX-GFCCVEGCSA-N 2 2 284.404 -0.393 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001367964948 895871482 /nfs/dbraw/zinc/87/14/82/895871482.db2.gz ZQEHATQEDXUTSR-GHMZBOCLSA-N 2 2 270.377 -0.608 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001367964948 895871490 /nfs/dbraw/zinc/87/14/90/895871490.db2.gz ZQEHATQEDXUTSR-GHMZBOCLSA-N 2 2 270.377 -0.608 20 0 CBADLP CNC(=O)C[NH2+]C1(CNC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001368027160 895896571 /nfs/dbraw/zinc/89/65/71/895896571.db2.gz BXPWPCSHIXXEFX-NSHDSACASA-N 2 2 293.371 -0.181 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@@H]1C[NH2+]CC(N)=O ZINC001368124753 895920895 /nfs/dbraw/zinc/92/08/95/895920895.db2.gz LXVTVIUFXYEKFD-SNVBAGLBSA-N 2 2 279.344 -0.972 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@]1(C)CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001368177079 895928452 /nfs/dbraw/zinc/92/84/52/895928452.db2.gz WKCOQCFPEIYPDI-IINYFYTJSA-N 2 2 293.371 -0.354 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@]1(C)CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001368177079 895928465 /nfs/dbraw/zinc/92/84/65/895928465.db2.gz WKCOQCFPEIYPDI-IINYFYTJSA-N 2 2 293.371 -0.354 20 0 CBADLP COCC[N@@H+]1CC[C@@](O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001368263328 895950218 /nfs/dbraw/zinc/95/02/18/895950218.db2.gz SVELJPBLWPEUSW-CYBMUJFWSA-N 2 2 282.344 -0.848 20 0 CBADLP COCC[N@H+]1CC[C@@](O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001368263328 895950227 /nfs/dbraw/zinc/95/02/27/895950227.db2.gz SVELJPBLWPEUSW-CYBMUJFWSA-N 2 2 282.344 -0.848 20 0 CBADLP CO[C@@H](C)C[N@@H+]1CC[C@](O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001368277075 895959215 /nfs/dbraw/zinc/95/92/15/895959215.db2.gz YCLORXRKSLEWMZ-FZMZJTMJSA-N 2 2 296.371 -0.460 20 0 CBADLP CO[C@@H](C)C[N@H+]1CC[C@](O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001368277075 895959226 /nfs/dbraw/zinc/95/92/26/895959226.db2.gz YCLORXRKSLEWMZ-FZMZJTMJSA-N 2 2 296.371 -0.460 20 0 CBADLP CO[C@@H](C)C[N@@H+]1CC[C@@](O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001368277083 895959885 /nfs/dbraw/zinc/95/98/85/895959885.db2.gz YCLORXRKSLEWMZ-SMDDNHRTSA-N 2 2 296.371 -0.460 20 0 CBADLP CO[C@@H](C)C[N@H+]1CC[C@@](O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001368277083 895959891 /nfs/dbraw/zinc/95/98/91/895959891.db2.gz YCLORXRKSLEWMZ-SMDDNHRTSA-N 2 2 296.371 -0.460 20 0 CBADLP CN(C[C@@H]1CC[N@@H+]1[C@H]1CCN(C)C1=O)C(=O)CC[NH+](C)C ZINC001368405499 896002524 /nfs/dbraw/zinc/00/25/24/896002524.db2.gz VZFKETNYAZJLOE-STQMWFEESA-N 2 2 296.415 -0.299 20 0 CBADLP CN(C[C@@H]1CC[N@H+]1[C@H]1CCN(C)C1=O)C(=O)CC[NH+](C)C ZINC001368405499 896002541 /nfs/dbraw/zinc/00/25/41/896002541.db2.gz VZFKETNYAZJLOE-STQMWFEESA-N 2 2 296.415 -0.299 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001368500347 896023834 /nfs/dbraw/zinc/02/38/34/896023834.db2.gz BQXSYPVORRWPGY-MXWKQRLJSA-N 2 2 293.371 -0.429 20 0 CBADLP C[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001368519535 896026270 /nfs/dbraw/zinc/02/62/70/896026270.db2.gz SYCQEQYJJNXSOJ-VXGBXAGGSA-N 2 2 282.344 -0.919 20 0 CBADLP C[C@H](O)C[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001368537400 896030415 /nfs/dbraw/zinc/03/04/15/896030415.db2.gz WKMRONMDBGDSEU-JQWIXIFHSA-N 2 2 282.344 -0.850 20 0 CBADLP C[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001368537409 896030871 /nfs/dbraw/zinc/03/08/71/896030871.db2.gz WKMRONMDBGDSEU-ZYHUDNBSSA-N 2 2 282.344 -0.850 20 0 CBADLP CC[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1)C(N)=O ZINC001368585017 896041138 /nfs/dbraw/zinc/04/11/38/896041138.db2.gz BAPMVIZMRYLYSM-CKYFFXLPSA-N 2 2 293.371 -0.300 20 0 CBADLP C[NH+](C)CCCC(=O)N[C@@H]1COC2(C[NH+](CCCO)C2)C1 ZINC001368605292 896045843 /nfs/dbraw/zinc/04/58/43/896045843.db2.gz YQHQYOGSIKHWIR-ZDUSSCGKSA-N 2 2 299.415 -0.330 20 0 CBADLP C[C@@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1nnn(C)n1 ZINC001368729727 896069395 /nfs/dbraw/zinc/06/93/95/896069395.db2.gz PJUINVAKLHPPJB-WDEREUQCSA-N 2 2 295.391 -0.711 20 0 CBADLP C[C@@H](CCNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1nnn(C)n1 ZINC001368729727 896069412 /nfs/dbraw/zinc/06/94/12/896069412.db2.gz PJUINVAKLHPPJB-WDEREUQCSA-N 2 2 295.391 -0.711 20 0 CBADLP Cc1cn(C(C)(C)C(=O)N[C@@H](C)[C@@H](C)[NH2+]CC(N)=O)c[nH+]1 ZINC001368858369 896100207 /nfs/dbraw/zinc/10/02/07/896100207.db2.gz SJYCZIPEFSRTOY-MNOVXSKESA-N 2 2 295.387 -0.105 20 0 CBADLP COC[C@H](O)C[N@H+](C)[C@@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001368985323 896126085 /nfs/dbraw/zinc/12/60/85/896126085.db2.gz SCIQCVBQWJEJTL-CMPLNLGQSA-N 2 2 284.360 -0.604 20 0 CBADLP COC[C@H](O)C[N@@H+](C)[C@@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001368985323 896126089 /nfs/dbraw/zinc/12/60/89/896126089.db2.gz SCIQCVBQWJEJTL-CMPLNLGQSA-N 2 2 284.360 -0.604 20 0 CBADLP COC[C@@H](O)C[N@H+](C)[C@@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001368992939 896132418 /nfs/dbraw/zinc/13/24/18/896132418.db2.gz CTIQFLRLXBCVGZ-JQWIXIFHSA-N 2 2 298.387 -0.296 20 0 CBADLP COC[C@@H](O)C[N@@H+](C)[C@@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001368992939 896132427 /nfs/dbraw/zinc/13/24/27/896132427.db2.gz CTIQFLRLXBCVGZ-JQWIXIFHSA-N 2 2 298.387 -0.296 20 0 CBADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[N@H+](C)[C@H]1CCN(C)C1=O ZINC001369013132 896136756 /nfs/dbraw/zinc/13/67/56/896136756.db2.gz RNMXFCBITKIVQN-NEPJUHHUSA-N 2 2 293.371 -0.450 20 0 CBADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[N@@H+](C)[C@H]1CCN(C)C1=O ZINC001369013132 896136763 /nfs/dbraw/zinc/13/67/63/896136763.db2.gz RNMXFCBITKIVQN-NEPJUHHUSA-N 2 2 293.371 -0.450 20 0 CBADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[N@H+](C)[C@H]1CCN(C)C1=O ZINC001369013135 896137324 /nfs/dbraw/zinc/13/73/24/896137324.db2.gz RNMXFCBITKIVQN-RYUDHWBXSA-N 2 2 293.371 -0.450 20 0 CBADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[N@@H+](C)[C@H]1CCN(C)C1=O ZINC001369013135 896137330 /nfs/dbraw/zinc/13/73/30/896137330.db2.gz RNMXFCBITKIVQN-RYUDHWBXSA-N 2 2 293.371 -0.450 20 0 CBADLP COC[C@H](O)C[NH+]1CC([C@H](C)NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001369101403 896153417 /nfs/dbraw/zinc/15/34/17/896153417.db2.gz RZMZFQCEAVVTNF-CMPLNLGQSA-N 2 2 296.371 -0.604 20 0 CBADLP C[C@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)[NH2+][C@@H]1CCN(C)C1=O ZINC001369277182 896184015 /nfs/dbraw/zinc/18/40/15/896184015.db2.gz FCYKEULQCGZOFU-ZYHUDNBSSA-N 2 2 293.371 -0.381 20 0 CBADLP C[C@H](CN(C)C(=O)Cc1[nH]cc[nH+]1)[NH2+]CCn1cncn1 ZINC001369288937 896186843 /nfs/dbraw/zinc/18/68/43/896186843.db2.gz KEOLCDARPJEJCY-LLVKDONJSA-N 2 2 291.359 -0.320 20 0 CBADLP COC[C@@H](O)C[NH2+][C@H](C)CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001369293547 896188296 /nfs/dbraw/zinc/18/82/96/896188296.db2.gz JMVMWAOSHOOVOO-PWSUYJOCSA-N 2 2 298.387 -0.296 20 0 CBADLP C[C@H](CN(C)C(=O)Cc1c[nH+]cn1C)[NH2+][C@@H]1CCNC1=O ZINC001369295974 896191030 /nfs/dbraw/zinc/19/10/30/896191030.db2.gz WWCYSKDTXAAPCW-ZYHUDNBSSA-N 2 2 293.371 -0.712 20 0 CBADLP CC[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc1nocc1C)[NH+](C)C ZINC001369374086 896247395 /nfs/dbraw/zinc/24/73/95/896247395.db2.gz ASHNGJAQNYIFEK-YPMHNXCESA-N 2 2 298.387 -0.110 20 0 CBADLP C[C@@H]1[C@H]([NH2+]CC(N)=O)CCN1C(=O)CCCn1cc[nH+]c1 ZINC001369405390 896259310 /nfs/dbraw/zinc/25/93/10/896259310.db2.gz OZHHRZHHKKEQJT-VXGBXAGGSA-N 2 2 293.371 -0.272 20 0 CBADLP COC[C@@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001369477142 896285975 /nfs/dbraw/zinc/28/59/75/896285975.db2.gz DTVDMBZJAZZVJM-DGCLKSJQSA-N 2 2 298.387 -0.594 20 0 CBADLP CN(C[C@H](O)C[N@H+](C)CCCF)C(=O)Cn1cc[nH+]c1 ZINC001369524782 896313799 /nfs/dbraw/zinc/31/37/99/896313799.db2.gz PSAPVAXFYCWBHP-GFCCVEGCSA-N 2 2 286.351 -0.006 20 0 CBADLP CN(C[C@H](O)C[N@@H+](C)CCCF)C(=O)Cn1cc[nH+]c1 ZINC001369524782 896313812 /nfs/dbraw/zinc/31/38/12/896313812.db2.gz PSAPVAXFYCWBHP-GFCCVEGCSA-N 2 2 286.351 -0.006 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001370004779 896388788 /nfs/dbraw/zinc/38/87/88/896388788.db2.gz CZHVPBVZRSNXKB-NEPJUHHUSA-N 2 2 293.371 -0.272 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001370004779 896388805 /nfs/dbraw/zinc/38/88/05/896388805.db2.gz CZHVPBVZRSNXKB-NEPJUHHUSA-N 2 2 293.371 -0.272 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]Cc1nnnn1C ZINC001371235637 896581376 /nfs/dbraw/zinc/58/13/76/896581376.db2.gz JQEIHCCLXHBGKN-QWRGUYRKSA-N 2 2 295.391 -0.711 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]Cc1nnnn1C ZINC001371235637 896581389 /nfs/dbraw/zinc/58/13/89/896581389.db2.gz JQEIHCCLXHBGKN-QWRGUYRKSA-N 2 2 295.391 -0.711 20 0 CBADLP CNC(=O)C[NH2+][C@H](C)CNC(=O)CCc1[nH+]ccn1C ZINC001371303697 896585541 /nfs/dbraw/zinc/58/55/41/896585541.db2.gz LHRUPSAULPQPMD-SNVBAGLBSA-N 2 2 281.360 -0.807 20 0 CBADLP C[C@@H](O)C[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001371641906 896644779 /nfs/dbraw/zinc/64/47/79/896644779.db2.gz ZCVMARKFUDFJBQ-VXGBXAGGSA-N 2 2 280.372 -0.219 20 0 CBADLP CNC(=O)C[N@H+](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001371968711 896698203 /nfs/dbraw/zinc/69/82/03/896698203.db2.gz IQGPDTYBEJPOJV-LBPRGKRZSA-N 2 2 282.388 -0.878 20 0 CBADLP CNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001371968711 896698216 /nfs/dbraw/zinc/69/82/16/896698216.db2.gz IQGPDTYBEJPOJV-LBPRGKRZSA-N 2 2 282.388 -0.878 20 0 CBADLP C[NH+](C)C1(C(=O)NCC[N@@H+](C)CC(=O)NC2CC2)CCC1 ZINC001372001910 896705180 /nfs/dbraw/zinc/70/51/80/896705180.db2.gz ZOWPVOHKULWACR-UHFFFAOYSA-N 2 2 296.415 -0.203 20 0 CBADLP C[NH+](C)C1(C(=O)NCC[N@H+](C)CC(=O)NC2CC2)CCC1 ZINC001372001910 896705185 /nfs/dbraw/zinc/70/51/85/896705185.db2.gz ZOWPVOHKULWACR-UHFFFAOYSA-N 2 2 296.415 -0.203 20 0 CBADLP CN(C)C(=O)C[N@H+](C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001372056716 896720459 /nfs/dbraw/zinc/72/04/59/896720459.db2.gz BKAKWFQINDFVBY-UHFFFAOYSA-N 2 2 298.431 -0.003 20 0 CBADLP CN(C)C(=O)C[N@@H+](C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001372056716 896720464 /nfs/dbraw/zinc/72/04/64/896720464.db2.gz BKAKWFQINDFVBY-UHFFFAOYSA-N 2 2 298.431 -0.003 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NCC[N@@H+](C)[C@@H]1CCCNC1=O ZINC001372225722 896754050 /nfs/dbraw/zinc/75/40/50/896754050.db2.gz UEMDMTFMVXUVGL-GFCCVEGCSA-N 2 2 293.371 -0.482 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NCC[N@H+](C)[C@@H]1CCCNC1=O ZINC001372225722 896754056 /nfs/dbraw/zinc/75/40/56/896754056.db2.gz UEMDMTFMVXUVGL-GFCCVEGCSA-N 2 2 293.371 -0.482 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001372935458 896907907 /nfs/dbraw/zinc/90/79/07/896907907.db2.gz DJJAVDZDQIQVKL-JTQLQIEISA-N 2 2 281.360 -0.475 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001372935458 896907921 /nfs/dbraw/zinc/90/79/21/896907921.db2.gz DJJAVDZDQIQVKL-JTQLQIEISA-N 2 2 281.360 -0.475 20 0 CBADLP CN(CC[NH2+][C@H]1CCNC1=O)C(=O)CCc1c[nH]c[nH+]1 ZINC001372933910 896908162 /nfs/dbraw/zinc/90/81/62/896908162.db2.gz ASEFFKPPZUVLRL-NSHDSACASA-N 2 2 279.344 -0.721 20 0 CBADLP CN(CC[NH2+][C@H]1CCNC1=O)C(=O)CCc1c[nH+]c[nH]1 ZINC001372933910 896908179 /nfs/dbraw/zinc/90/81/79/896908179.db2.gz ASEFFKPPZUVLRL-NSHDSACASA-N 2 2 279.344 -0.721 20 0 CBADLP CN(CC[NH2+][C@H]1CCCN(C)C1=O)C(=O)Cc1[nH]cc[nH+]1 ZINC001372975290 896922397 /nfs/dbraw/zinc/92/23/97/896922397.db2.gz BUYPYYRDIBLOCT-NSHDSACASA-N 2 2 293.371 -0.379 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1CCC[N@H+](CCO)C1 ZINC001373385830 896991000 /nfs/dbraw/zinc/99/10/00/896991000.db2.gz YPQUJBHTPFUCNI-GFCCVEGCSA-N 2 2 280.372 -0.074 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1CCC[N@@H+](CCO)C1 ZINC001373385830 896991012 /nfs/dbraw/zinc/99/10/12/896991012.db2.gz YPQUJBHTPFUCNI-GFCCVEGCSA-N 2 2 280.372 -0.074 20 0 CBADLP COC[C@@H](O)C[NH+]1CC(NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001373436089 897012651 /nfs/dbraw/zinc/01/26/51/897012651.db2.gz GZZZBQQQGYSMOO-LBPRGKRZSA-N 2 2 285.388 -0.722 20 0 CBADLP C[NH+](C)CCC(=O)NC1C[NH+](C[C@@H]2CCc3ncnn32)C1 ZINC001373454765 897020380 /nfs/dbraw/zinc/02/03/80/897020380.db2.gz RHWFAMMHZGHYFB-LBPRGKRZSA-N 2 2 292.387 -0.483 20 0 CBADLP CN1CC[C@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)CC[NH+](C)C)C1=O ZINC001373573467 897054452 /nfs/dbraw/zinc/05/44/52/897054452.db2.gz CSINTPIXZZHROO-AVGNSLFASA-N 2 2 294.399 -0.546 20 0 CBADLP CN1CC[C@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)CC[NH+](C)C)C1=O ZINC001373573467 897054467 /nfs/dbraw/zinc/05/44/67/897054467.db2.gz CSINTPIXZZHROO-AVGNSLFASA-N 2 2 294.399 -0.546 20 0 CBADLP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2cnnn2C)C1 ZINC001373608930 897068132 /nfs/dbraw/zinc/06/81/32/897068132.db2.gz RZOHSFGNPWYKAY-LBPRGKRZSA-N 2 2 294.403 -0.153 20 0 CBADLP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2cnnn2C)C1 ZINC001373608930 897068147 /nfs/dbraw/zinc/06/81/47/897068147.db2.gz RZOHSFGNPWYKAY-LBPRGKRZSA-N 2 2 294.403 -0.153 20 0 CBADLP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](Cc2cnnn2C)C1 ZINC001373608930 897068164 /nfs/dbraw/zinc/06/81/64/897068164.db2.gz RZOHSFGNPWYKAY-LBPRGKRZSA-N 2 2 294.403 -0.153 20 0 CBADLP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](Cc2cnnn2C)C1 ZINC001373608930 897068176 /nfs/dbraw/zinc/06/81/76/897068176.db2.gz RZOHSFGNPWYKAY-LBPRGKRZSA-N 2 2 294.403 -0.153 20 0 CBADLP CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001373639598 897087338 /nfs/dbraw/zinc/08/73/38/897087338.db2.gz BZTMCQYRASDNFS-NEPJUHHUSA-N 2 2 284.404 -0.347 20 0 CBADLP CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001373639598 897087348 /nfs/dbraw/zinc/08/73/48/897087348.db2.gz BZTMCQYRASDNFS-NEPJUHHUSA-N 2 2 284.404 -0.347 20 0 CBADLP COC[C@@H](O)C[N@@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001373695471 897099194 /nfs/dbraw/zinc/09/91/94/897099194.db2.gz KCPPAXGNMQRYGH-STQMWFEESA-N 2 2 296.371 -0.577 20 0 CBADLP COC[C@@H](O)C[N@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001373695471 897099204 /nfs/dbraw/zinc/09/92/04/897099204.db2.gz KCPPAXGNMQRYGH-STQMWFEESA-N 2 2 296.371 -0.577 20 0 CBADLP CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001373690411 897100431 /nfs/dbraw/zinc/10/04/31/897100431.db2.gz UKBNFUFPDDCDOD-CYBMUJFWSA-N 2 2 296.415 -0.249 20 0 CBADLP CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001373690411 897100440 /nfs/dbraw/zinc/10/04/40/897100440.db2.gz UKBNFUFPDDCDOD-CYBMUJFWSA-N 2 2 296.415 -0.249 20 0 CBADLP CC[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CC(=O)NC(C)C ZINC001373812070 897126528 /nfs/dbraw/zinc/12/65/28/897126528.db2.gz QLIVBDURGXCFEX-LLVKDONJSA-N 2 2 295.387 -0.039 20 0 CBADLP C[C@H]([NH2+]CC1(NC(=O)Cn2cc[nH+]c2)CCCC1)C(N)=O ZINC001373864879 897133474 /nfs/dbraw/zinc/13/34/74/897133474.db2.gz KVOFKTOUTBKTMU-NSHDSACASA-N 2 2 293.371 -0.225 20 0 CBADLP CNC(=O)C[NH2+]C[C@@](C)(NC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001373901404 897138401 /nfs/dbraw/zinc/13/84/01/897138401.db2.gz QWWLSMCRPLCEQT-CQSZACIVSA-N 2 2 293.371 -0.496 20 0 CBADLP C[C@@H](CNC(=O)CCn1cc[nH+]c1)C[NH2+][C@@H]1CCNC1=O ZINC001374048911 897162268 /nfs/dbraw/zinc/16/22/68/897162268.db2.gz FQQKJLIRGFQTAM-VXGBXAGGSA-N 2 2 293.371 -0.496 20 0 CBADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+][C@@H]1CCNC1=O ZINC001374113076 897170785 /nfs/dbraw/zinc/17/07/85/897170785.db2.gz ISFPPBQBXCYMKI-GHMZBOCLSA-N 2 2 279.344 -0.887 20 0 CBADLP CC[C@@H]([NH2+]C[C@@H](C)N(C)C(=O)Cc1[nH]c[nH+]c1C)C(N)=O ZINC001374313662 897212654 /nfs/dbraw/zinc/21/26/54/897212654.db2.gz HWZLGGKUZCTDKF-MWLCHTKSSA-N 2 2 295.387 -0.039 20 0 CBADLP CC[C@@H]([NH2+][C@@H](CNC(=O)Cc1[nH]cc[nH+]1)C(C)C)C(N)=O ZINC001374438773 897223193 /nfs/dbraw/zinc/22/31/93/897223193.db2.gz LVNSKAHHHUGANP-MNOVXSKESA-N 2 2 295.387 -0.054 20 0 CBADLP CC[N@H+](C)CCC(=O)N1CC[NH+](CCN(C)C(C)=O)CC1 ZINC001374435708 897225640 /nfs/dbraw/zinc/22/56/40/897225640.db2.gz UXXKXEMHPUTGEA-UHFFFAOYSA-N 2 2 298.431 -0.049 20 0 CBADLP CC[N@@H+](C)CCC(=O)N1CC[NH+](CCN(C)C(C)=O)CC1 ZINC001374435708 897225655 /nfs/dbraw/zinc/22/56/55/897225655.db2.gz UXXKXEMHPUTGEA-UHFFFAOYSA-N 2 2 298.431 -0.049 20 0 CBADLP CC(C)[C@@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+][C@@H](C)C(N)=O ZINC001374444723 897227702 /nfs/dbraw/zinc/22/77/02/897227702.db2.gz SXXCGGMZFNYIFI-CMPLNLGQSA-N 2 2 295.387 -0.433 20 0 CBADLP C[C@@H](C(N)=O)[N@H+](C)CCN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001374506081 897241814 /nfs/dbraw/zinc/24/18/14/897241814.db2.gz RWRJJHJIHUOPDP-RYUDHWBXSA-N 2 2 284.404 -0.265 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001374506081 897241832 /nfs/dbraw/zinc/24/18/32/897241832.db2.gz RWRJJHJIHUOPDP-RYUDHWBXSA-N 2 2 284.404 -0.265 20 0 CBADLP C[C@@H](C(N)=O)[NH+](C)CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001374506081 897241840 /nfs/dbraw/zinc/24/18/40/897241840.db2.gz RWRJJHJIHUOPDP-RYUDHWBXSA-N 2 2 284.404 -0.265 20 0 CBADLP C[C@@H](C(N)=O)[NH+](C)CCN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001374506081 897241849 /nfs/dbraw/zinc/24/18/49/897241849.db2.gz RWRJJHJIHUOPDP-RYUDHWBXSA-N 2 2 284.404 -0.265 20 0 CBADLP CC[C@H](C(=O)N(C)CC[N@H+](C)CC(=O)NC1CC1)[NH+](C)C ZINC001374552654 897257803 /nfs/dbraw/zinc/25/78/03/897257803.db2.gz SVBOQZGRYPUAKE-CYBMUJFWSA-N 2 2 298.431 -0.005 20 0 CBADLP CC[C@H](C(=O)N(C)CC[N@@H+](C)CC(=O)NC1CC1)[NH+](C)C ZINC001374552654 897257808 /nfs/dbraw/zinc/25/78/08/897257808.db2.gz SVBOQZGRYPUAKE-CYBMUJFWSA-N 2 2 298.431 -0.005 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](O)C[NH2+]C[C@H]1CCOC1 ZINC001374682637 897341667 /nfs/dbraw/zinc/34/16/67/897341667.db2.gz XVJQWPUWFPAOQQ-NEPJUHHUSA-N 2 2 296.371 -0.636 20 0 CBADLP C[C@H](C[NH2+][C@@H](C)C(N)=O)NC(=O)CCc1[nH+]ccn1C ZINC001374787777 897393170 /nfs/dbraw/zinc/39/31/70/897393170.db2.gz BEPPFXWPPHHGFU-ZJUUUORDSA-N 2 2 281.360 -0.679 20 0 CBADLP C[C@H](C[NH2+][C@H]1CCN(C)C1=O)NC(=O)Cc1c[nH]c[nH+]1 ZINC001374816984 897398956 /nfs/dbraw/zinc/39/89/56/897398956.db2.gz VFPGNNMJENLDNV-KOLCDFICSA-N 2 2 279.344 -0.723 20 0 CBADLP C[C@H](C[N@H+](C)Cc1cnnn1C)NC(=O)[C@@H]1CCC[NH+]1C ZINC001375017575 897460322 /nfs/dbraw/zinc/46/03/22/897460322.db2.gz ICIPZKIWRXODAA-YPMHNXCESA-N 2 2 294.403 -0.154 20 0 CBADLP C[C@H](C[N@@H+](C)Cc1cnnn1C)NC(=O)[C@@H]1CCC[NH+]1C ZINC001375017575 897460331 /nfs/dbraw/zinc/46/03/31/897460331.db2.gz ICIPZKIWRXODAA-YPMHNXCESA-N 2 2 294.403 -0.154 20 0 CBADLP C[C@H](C[NH+](C)Cc1cnnn1C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001375017575 897460341 /nfs/dbraw/zinc/46/03/41/897460341.db2.gz ICIPZKIWRXODAA-YPMHNXCESA-N 2 2 294.403 -0.154 20 0 CBADLP C[C@H](C[NH+](C)Cc1cnnn1C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001375017575 897460348 /nfs/dbraw/zinc/46/03/48/897460348.db2.gz ICIPZKIWRXODAA-YPMHNXCESA-N 2 2 294.403 -0.154 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001375337942 897518515 /nfs/dbraw/zinc/51/85/15/897518515.db2.gz DLKBHTYGAGTBCF-GHMZBOCLSA-N 2 2 270.377 -0.737 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001375337942 897518506 /nfs/dbraw/zinc/51/85/06/897518506.db2.gz DLKBHTYGAGTBCF-GHMZBOCLSA-N 2 2 270.377 -0.737 20 0 CBADLP C[NH+](C)CCCC(=O)NC[C@@H]1CC[N@@H+]1[C@H]1CCCNC1=O ZINC001375336557 897521397 /nfs/dbraw/zinc/52/13/97/897521397.db2.gz WNHAQIXQUXEQCM-STQMWFEESA-N 2 2 296.415 -0.203 20 0 CBADLP C[NH+](C)CCCC(=O)NC[C@@H]1CC[N@H+]1[C@H]1CCCNC1=O ZINC001375336557 897521410 /nfs/dbraw/zinc/52/14/10/897521410.db2.gz WNHAQIXQUXEQCM-STQMWFEESA-N 2 2 296.415 -0.203 20 0 CBADLP CCN(CC)C(=O)C[N@@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001375344304 897524131 /nfs/dbraw/zinc/52/41/31/897524131.db2.gz ZHRBEGHXSGJFCX-CYBMUJFWSA-N 2 2 298.431 -0.003 20 0 CBADLP CCN(CC)C(=O)C[N@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001375344304 897524137 /nfs/dbraw/zinc/52/41/37/897524137.db2.gz ZHRBEGHXSGJFCX-CYBMUJFWSA-N 2 2 298.431 -0.003 20 0 CBADLP COCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001375375004 897529944 /nfs/dbraw/zinc/52/99/44/897529944.db2.gz VJCRSCCYJDWZGE-UONOGXRCSA-N 2 2 299.415 -0.208 20 0 CBADLP COCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001375375004 897529958 /nfs/dbraw/zinc/52/99/58/897529958.db2.gz VJCRSCCYJDWZGE-UONOGXRCSA-N 2 2 299.415 -0.208 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001375378851 897530919 /nfs/dbraw/zinc/53/09/19/897530919.db2.gz UIEOESNQAADPLY-STQMWFEESA-N 2 2 296.415 -0.073 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001375378851 897530935 /nfs/dbraw/zinc/53/09/35/897530935.db2.gz UIEOESNQAADPLY-STQMWFEESA-N 2 2 296.415 -0.073 20 0 CBADLP Cn1nnnc1C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001375404137 897538562 /nfs/dbraw/zinc/53/85/62/897538562.db2.gz POOQQMAVPONJQU-JTQLQIEISA-N 2 2 293.375 -0.957 20 0 CBADLP Cn1nnnc1C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001375404137 897538572 /nfs/dbraw/zinc/53/85/72/897538572.db2.gz POOQQMAVPONJQU-JTQLQIEISA-N 2 2 293.375 -0.957 20 0 CBADLP CC[C@@H](C(=O)NCC1([NH2+]Cc2nnnn2C)CC1)[NH+](C)C ZINC001375489449 897550447 /nfs/dbraw/zinc/55/04/47/897550447.db2.gz FJWYSBVYHGGBSB-JTQLQIEISA-N 2 2 295.391 -0.711 20 0 CBADLP COC[C@H](O)C[NH2+]C1(CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001375512013 897560680 /nfs/dbraw/zinc/56/06/80/897560680.db2.gz POLKIOIZNTXFKL-SNVBAGLBSA-N 2 2 282.344 -0.802 20 0 CBADLP CN(C(=O)CC[NH+]1CCOCC1)C1C[NH+](CCCO)C1 ZINC001375715325 897596614 /nfs/dbraw/zinc/59/66/14/897596614.db2.gz IMHATGCHIYHMKZ-UHFFFAOYSA-N 2 2 285.388 -0.766 20 0 CBADLP NC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001375759127 897602494 /nfs/dbraw/zinc/60/24/94/897602494.db2.gz ZJPAPNXXGCKQHS-NSHDSACASA-N 2 2 279.344 -0.592 20 0 CBADLP NC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001375759127 897602505 /nfs/dbraw/zinc/60/25/05/897602505.db2.gz ZJPAPNXXGCKQHS-NSHDSACASA-N 2 2 279.344 -0.592 20 0 CBADLP C[C@]1(NC(=O)C[NH+]2CCCC2)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001375853386 897615222 /nfs/dbraw/zinc/61/52/22/897615222.db2.gz BPJMCDYLPKAJFL-DOMZBBRYSA-N 2 2 294.399 -0.449 20 0 CBADLP C[C@]1(NC(=O)C[NH+]2CCCC2)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001375853386 897615226 /nfs/dbraw/zinc/61/52/26/897615226.db2.gz BPJMCDYLPKAJFL-DOMZBBRYSA-N 2 2 294.399 -0.449 20 0 CBADLP CC(C)CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001376154533 897675845 /nfs/dbraw/zinc/67/58/45/897675845.db2.gz QVKJHRSXJYKCAO-CYBMUJFWSA-N 2 2 298.431 -0.099 20 0 CBADLP CC(C)CNC(=O)C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001376154533 897675852 /nfs/dbraw/zinc/67/58/52/897675852.db2.gz QVKJHRSXJYKCAO-CYBMUJFWSA-N 2 2 298.431 -0.099 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)NCC2(O)C[NH+](C[C@@H](C)O)C2)CC[N@@H+]1C ZINC001376169792 897680833 /nfs/dbraw/zinc/68/08/33/897680833.db2.gz MWOFZRRAXUHCIG-FRRDWIJNSA-N 2 2 299.415 -0.740 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)NCC2(O)C[NH+](C[C@@H](C)O)C2)CC[N@H+]1C ZINC001376169792 897680841 /nfs/dbraw/zinc/68/08/41/897680841.db2.gz MWOFZRRAXUHCIG-FRRDWIJNSA-N 2 2 299.415 -0.740 20 0 CBADLP C[C@@H]([NH2+][C@@H](CNC(=O)CCc1c[nH]c[nH+]1)C1CC1)C(N)=O ZINC001376209906 897691966 /nfs/dbraw/zinc/69/19/66/897691966.db2.gz CZOOQGRLEIHMFG-SKDRFNHKSA-N 2 2 293.371 -0.300 20 0 CBADLP C[C@@H]([NH2+][C@@H](CNC(=O)CCc1c[nH+]c[nH]1)C1CC1)C(N)=O ZINC001376209906 897691976 /nfs/dbraw/zinc/69/19/76/897691976.db2.gz CZOOQGRLEIHMFG-SKDRFNHKSA-N 2 2 293.371 -0.300 20 0 CBADLP CC[C@@H]([NH2+][C@@H](CNC(=O)Cc1[nH]cc[nH+]1)C1CC1)C(N)=O ZINC001376249222 897698699 /nfs/dbraw/zinc/69/86/99/897698699.db2.gz JZZMKZKRZIWFEA-MNOVXSKESA-N 2 2 293.371 -0.300 20 0 CBADLP Cc1c[nH+]c2cc(C(=O)NC[C@H](C)[NH2+]CC(N)=O)ccn12 ZINC001376723478 897825190 /nfs/dbraw/zinc/82/51/90/897825190.db2.gz JITDBSPKQLABRX-VIFPVBQESA-N 2 2 289.339 -0.164 20 0 CBADLP Cc1c[nH+]c2cc(C(=O)NC[C@@H](C)[NH2+]CC(N)=O)ccn12 ZINC001376723477 897826119 /nfs/dbraw/zinc/82/61/19/897826119.db2.gz JITDBSPKQLABRX-SECBINFHSA-N 2 2 289.339 -0.164 20 0 CBADLP CCNC(=O)C[NH2+]C1(CNC(=O)Cc2c[nH]c[nH+]2)CCC1 ZINC001376785261 897841566 /nfs/dbraw/zinc/84/15/66/897841566.db2.gz BSFZZOLNJLTZPF-UHFFFAOYSA-N 2 2 293.371 -0.283 20 0 CBADLP CCCNC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001376890817 897883538 /nfs/dbraw/zinc/88/35/38/897883538.db2.gz YLESCKVBJNYORU-VXGBXAGGSA-N 2 2 295.387 -0.108 20 0 CBADLP NC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001376939676 897898454 /nfs/dbraw/zinc/89/84/54/897898454.db2.gz URSGFDBEWUMTMN-GMTAPVOTSA-N 2 2 291.355 -0.563 20 0 CBADLP NC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001376939676 897898456 /nfs/dbraw/zinc/89/84/56/897898456.db2.gz URSGFDBEWUMTMN-GMTAPVOTSA-N 2 2 291.355 -0.563 20 0 CBADLP COC[C@@H](O)C[NH2+]C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001376946523 897900733 /nfs/dbraw/zinc/90/07/33/897900733.db2.gz DFRSYSDMZFKRCR-RYUDHWBXSA-N 2 2 296.371 -0.602 20 0 CBADLP C[C@H](CCNC(=O)Cc1c[nH+]cn1C)[NH2+][C@@H](C)C(N)=O ZINC001377109973 897933039 /nfs/dbraw/zinc/93/30/39/897933039.db2.gz YYHDDWAKILGUCX-ZJUUUORDSA-N 2 2 281.360 -0.679 20 0 CBADLP CCC1([NH2+]CC(N)=O)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001377122603 897937042 /nfs/dbraw/zinc/93/70/42/897937042.db2.gz YOESTVMXPSQPSK-UHFFFAOYSA-N 2 2 293.371 -0.202 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)N1CCC[C@@](CO)([NH2+]CCO)C1 ZINC001377165904 897956004 /nfs/dbraw/zinc/95/60/04/897956004.db2.gz UONIBNMPZGNSIE-CQSZACIVSA-N 2 2 296.371 -0.722 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)N1CCC[C@@](CO)([NH2+]CCO)C1 ZINC001377165904 897956015 /nfs/dbraw/zinc/95/60/15/897956015.db2.gz UONIBNMPZGNSIE-CQSZACIVSA-N 2 2 296.371 -0.722 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001377231832 897976232 /nfs/dbraw/zinc/97/62/32/897976232.db2.gz VMZHEHPHKLHEEF-NEPJUHHUSA-N 2 2 284.404 -0.347 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001377231832 897976233 /nfs/dbraw/zinc/97/62/33/897976233.db2.gz VMZHEHPHKLHEEF-NEPJUHHUSA-N 2 2 284.404 -0.347 20 0 CBADLP CNC(=O)[C@@H](C)[NH+](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001377231832 897976239 /nfs/dbraw/zinc/97/62/39/897976239.db2.gz VMZHEHPHKLHEEF-NEPJUHHUSA-N 2 2 284.404 -0.347 20 0 CBADLP CNC(=O)[C@@H](C)[NH+](C)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001377231832 897976243 /nfs/dbraw/zinc/97/62/43/897976243.db2.gz VMZHEHPHKLHEEF-NEPJUHHUSA-N 2 2 284.404 -0.347 20 0 CBADLP C[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)CC(=O)NCC1CC1 ZINC001377261514 897988501 /nfs/dbraw/zinc/98/85/01/897988501.db2.gz PVRQFLLMPYGZGM-CYBMUJFWSA-N 2 2 296.415 -0.488 20 0 CBADLP C[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)CC(=O)NCC1CC1 ZINC001377261514 897988505 /nfs/dbraw/zinc/98/85/05/897988505.db2.gz PVRQFLLMPYGZGM-CYBMUJFWSA-N 2 2 296.415 -0.488 20 0 CBADLP C[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)CC(=O)NCC1CC1 ZINC001377261514 897988519 /nfs/dbraw/zinc/98/85/19/897988519.db2.gz PVRQFLLMPYGZGM-CYBMUJFWSA-N 2 2 296.415 -0.488 20 0 CBADLP C[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)CC(=O)NCC1CC1 ZINC001377261514 897988522 /nfs/dbraw/zinc/98/85/22/897988522.db2.gz PVRQFLLMPYGZGM-CYBMUJFWSA-N 2 2 296.415 -0.488 20 0 CBADLP CNC(=O)C[N@H+](C)CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001377257661 897989502 /nfs/dbraw/zinc/98/95/02/897989502.db2.gz ZIBUJGQQVYFNNV-LBPRGKRZSA-N 2 2 272.393 -0.633 20 0 CBADLP CNC(=O)C[N@@H+](C)CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001377257661 897989513 /nfs/dbraw/zinc/98/95/13/897989513.db2.gz ZIBUJGQQVYFNNV-LBPRGKRZSA-N 2 2 272.393 -0.633 20 0 CBADLP CC[N@H+](CCNC(=O)Cn1c[nH+]cc1C)[C@@H]1CCNC1=O ZINC001377326681 898015415 /nfs/dbraw/zinc/01/54/15/898015415.db2.gz BEFCKZBRFJHLEG-GFCCVEGCSA-N 2 2 293.371 -0.482 20 0 CBADLP CC[N@@H+](CCNC(=O)Cn1c[nH+]cc1C)[C@@H]1CCNC1=O ZINC001377326681 898015425 /nfs/dbraw/zinc/01/54/25/898015425.db2.gz BEFCKZBRFJHLEG-GFCCVEGCSA-N 2 2 293.371 -0.482 20 0 CBADLP C[C@@H](CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[NH2+]CC(N)=O ZINC001377496161 898068613 /nfs/dbraw/zinc/06/86/13/898068613.db2.gz QIACQHUMUKSOHB-UWVGGRQHSA-N 2 2 281.360 -0.442 20 0 CBADLP C[C@@H](CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[NH2+]CC(N)=O ZINC001377496161 898068627 /nfs/dbraw/zinc/06/86/27/898068627.db2.gz QIACQHUMUKSOHB-UWVGGRQHSA-N 2 2 281.360 -0.442 20 0 CBADLP C[C@@H]([NH2+]CCN(C)C(=O)CCc1c[nH+]cn1C)C(N)=O ZINC001377590680 898099903 /nfs/dbraw/zinc/09/99/03/898099903.db2.gz OVLTWZYPZVVUKB-SNVBAGLBSA-N 2 2 281.360 -0.726 20 0 CBADLP NC(=O)C[NH2+]CC1CC(NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001377702960 898116642 /nfs/dbraw/zinc/11/66/42/898116642.db2.gz AVCOKRPVFOXCFU-UHFFFAOYSA-N 2 2 279.344 -0.688 20 0 CBADLP NC(=O)C[NH2+]CC1CC(NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001377702960 898116654 /nfs/dbraw/zinc/11/66/54/898116654.db2.gz AVCOKRPVFOXCFU-UHFFFAOYSA-N 2 2 279.344 -0.688 20 0 CBADLP C[C@H](O)C[NH2+]CC1CC(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001377737139 898126185 /nfs/dbraw/zinc/12/61/85/898126185.db2.gz SOTTUSYMJQPSHM-UNXYVOJBSA-N 2 2 280.372 -0.172 20 0 CBADLP CC[C@H](C(=O)N[C@@H]1CCC[N@@H+]([C@H]2CCNC2=O)C1)[NH+](C)C ZINC001377824493 898144567 /nfs/dbraw/zinc/14/45/67/898144567.db2.gz IJZGPCOITTZHIN-UPJWGTAASA-N 2 2 296.415 -0.204 20 0 CBADLP CC[C@H](C(=O)N[C@@H]1CCC[N@H+]([C@H]2CCNC2=O)C1)[NH+](C)C ZINC001377824493 898144572 /nfs/dbraw/zinc/14/45/72/898144572.db2.gz IJZGPCOITTZHIN-UPJWGTAASA-N 2 2 296.415 -0.204 20 0 CBADLP C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)[C@@H](C)[NH2+]CC(=O)NC1CC1 ZINC001377854478 898145897 /nfs/dbraw/zinc/14/58/97/898145897.db2.gz DYLLHNBLTIXJQM-NXEZZACHSA-N 2 2 293.371 -0.286 20 0 CBADLP CC(C)NC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001377855647 898145945 /nfs/dbraw/zinc/14/59/45/898145945.db2.gz GHCJRDISFBIJQA-QWRGUYRKSA-N 2 2 295.387 -0.040 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001377994973 898192015 /nfs/dbraw/zinc/19/20/15/898192015.db2.gz HHTRUAIXUJVLFB-QWRGUYRKSA-N 2 2 282.388 -0.750 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001377994973 898192024 /nfs/dbraw/zinc/19/20/24/898192024.db2.gz HHTRUAIXUJVLFB-QWRGUYRKSA-N 2 2 282.388 -0.750 20 0 CBADLP C[N@@H+]1CC[C@H](CC(=O)NCC2C[NH+]([C@@H]3CCNC3=O)C2)C1 ZINC001378015074 898196695 /nfs/dbraw/zinc/19/66/95/898196695.db2.gz HDGVEWANEFDKDJ-DGCLKSJQSA-N 2 2 294.399 -0.735 20 0 CBADLP C[N@H+]1CC[C@H](CC(=O)NCC2C[NH+]([C@@H]3CCNC3=O)C2)C1 ZINC001378015074 898196704 /nfs/dbraw/zinc/19/67/04/898196704.db2.gz HDGVEWANEFDKDJ-DGCLKSJQSA-N 2 2 294.399 -0.735 20 0 CBADLP CC(C)[C@H](C(=O)NCC1C[NH+]([C@H](C)C(N)=O)C1)[NH+](C)C ZINC001378012431 898197261 /nfs/dbraw/zinc/19/72/61/898197261.db2.gz VIYVQQITNPBGQF-ZYHUDNBSSA-N 2 2 284.404 -0.506 20 0 CBADLP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)C ZINC001378038823 898206476 /nfs/dbraw/zinc/20/64/76/898206476.db2.gz BIXVOMDMYFIBNC-AGIUHOORSA-N 2 2 296.415 -0.300 20 0 CBADLP C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)C ZINC001378038823 898206492 /nfs/dbraw/zinc/20/64/92/898206492.db2.gz BIXVOMDMYFIBNC-AGIUHOORSA-N 2 2 296.415 -0.300 20 0 CBADLP CC(C)OCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001378051777 898216246 /nfs/dbraw/zinc/21/62/46/898216246.db2.gz PLNIZGJZXPDCRK-KBPBESRZSA-N 2 2 299.415 -0.068 20 0 CBADLP CC(C)OCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001378051777 898216260 /nfs/dbraw/zinc/21/62/60/898216260.db2.gz PLNIZGJZXPDCRK-KBPBESRZSA-N 2 2 299.415 -0.068 20 0 CBADLP CC(C)OCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001378051777 898216278 /nfs/dbraw/zinc/21/62/78/898216278.db2.gz PLNIZGJZXPDCRK-KBPBESRZSA-N 2 2 299.415 -0.068 20 0 CBADLP CC(C)OCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001378051777 898216288 /nfs/dbraw/zinc/21/62/88/898216288.db2.gz PLNIZGJZXPDCRK-KBPBESRZSA-N 2 2 299.415 -0.068 20 0 CBADLP C[C@H](CNC(=O)c1cc(C[NH+](C)C)on1)[N@H+](C)CCO ZINC001378082461 898230341 /nfs/dbraw/zinc/23/03/41/898230341.db2.gz QXCFWDRUBYFCHX-SNVBAGLBSA-N 2 2 284.360 -0.221 20 0 CBADLP C[C@H](CNC(=O)c1cc(C[NH+](C)C)on1)[N@@H+](C)CCO ZINC001378082461 898230354 /nfs/dbraw/zinc/23/03/54/898230354.db2.gz QXCFWDRUBYFCHX-SNVBAGLBSA-N 2 2 284.360 -0.221 20 0 CBADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)C3(O)COC3)c2)CC1 ZINC001454650186 914236882 /nfs/dbraw/zinc/23/68/82/914236882.db2.gz GDGFFKGRIYNTNR-UHFFFAOYSA-N 2 2 292.339 -0.467 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001454624072 914238113 /nfs/dbraw/zinc/23/81/13/914238113.db2.gz YYNRJPWHKJYHAM-QWRGUYRKSA-N 2 2 293.371 -0.475 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001454624072 914238124 /nfs/dbraw/zinc/23/81/24/914238124.db2.gz YYNRJPWHKJYHAM-QWRGUYRKSA-N 2 2 293.371 -0.475 20 0 CBADLP CC[C@H](CNC(=O)CCn1cc[nH+]c1)[NH2+][C@H]1CCNC1=O ZINC001378281695 898302166 /nfs/dbraw/zinc/30/21/66/898302166.db2.gz GHLJUVAQHKRIIG-NEPJUHHUSA-N 2 2 293.371 -0.354 20 0 CBADLP CC[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH2+]CC(N)=O ZINC001378306723 898307558 /nfs/dbraw/zinc/30/75/58/898307558.db2.gz XRURBAOWQZSVLK-HBNTYKKESA-N 2 2 293.371 -0.507 20 0 CBADLP CC[C@@H](C(=O)NC1(CCO)C[NH+](CCOC)C1)[NH+](C)C ZINC001378325633 898315562 /nfs/dbraw/zinc/31/55/62/898315562.db2.gz LQDPIFUUIOVSDC-LBPRGKRZSA-N 2 2 287.404 -0.474 20 0 CBADLP CC[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+][C@H](CC)C(N)=O ZINC001378345845 898322080 /nfs/dbraw/zinc/32/20/80/898322080.db2.gz PSYXPOWXWAFKLX-GHMZBOCLSA-N 2 2 281.360 -0.369 20 0 CBADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H]1C[NH2+]CC(N)=O ZINC001378508318 898342371 /nfs/dbraw/zinc/34/23/71/898342371.db2.gz CZDICQBEIGGJRU-CMPLNLGQSA-N 2 2 293.371 -0.346 20 0 CBADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H]1C[NH2+]CC(N)=O ZINC001378508318 898342386 /nfs/dbraw/zinc/34/23/86/898342386.db2.gz CZDICQBEIGGJRU-CMPLNLGQSA-N 2 2 293.371 -0.346 20 0 CBADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+]CC(=O)N(C)C ZINC001378635496 898373340 /nfs/dbraw/zinc/37/33/40/898373340.db2.gz OGRUAUQMBZENJZ-LLVKDONJSA-N 2 2 281.360 -0.687 20 0 CBADLP CC(C)[C@@H](C(=O)N[C@H]1C[N@H+](CC(N)=O)CC1(C)C)[NH+](C)C ZINC001378638719 898375334 /nfs/dbraw/zinc/37/53/34/898375334.db2.gz DDSRNTMBGMROFS-AAEUAGOBSA-N 2 2 298.431 -0.116 20 0 CBADLP CC(C)[C@@H](C(=O)N[C@H]1C[N@@H+](CC(N)=O)CC1(C)C)[NH+](C)C ZINC001378638719 898375349 /nfs/dbraw/zinc/37/53/49/898375349.db2.gz DDSRNTMBGMROFS-AAEUAGOBSA-N 2 2 298.431 -0.116 20 0 CBADLP C[C@@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001378652684 898381628 /nfs/dbraw/zinc/38/16/28/898381628.db2.gz MOMFFGIKPRTRDV-OLZOCXBDSA-N 2 2 299.415 -0.332 20 0 CBADLP C[C@@H](O)C[N@H+]1CCO[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001378652684 898381641 /nfs/dbraw/zinc/38/16/41/898381641.db2.gz MOMFFGIKPRTRDV-OLZOCXBDSA-N 2 2 299.415 -0.332 20 0 CBADLP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001378894737 898429491 /nfs/dbraw/zinc/42/94/91/898429491.db2.gz GMKUHCBQDMJMPB-ZYHUDNBSSA-N 2 2 293.371 -0.475 20 0 CBADLP CCNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@H](CC)[NH+](C)C ZINC001379128121 898470772 /nfs/dbraw/zinc/47/07/72/898470772.db2.gz UHHREXSTEWBJSX-LBPRGKRZSA-N 2 2 286.420 -0.147 20 0 CBADLP CN(CC[N@H+](C)[C@@H]1CCN(C)C1=O)C(=O)Cn1cc[nH+]c1 ZINC001379142994 898473252 /nfs/dbraw/zinc/47/32/52/898473252.db2.gz HGCLZTQYYIBZRT-GFCCVEGCSA-N 2 2 293.371 -0.496 20 0 CBADLP CN(CC[N@@H+](C)[C@@H]1CCN(C)C1=O)C(=O)Cn1cc[nH+]c1 ZINC001379142994 898473261 /nfs/dbraw/zinc/47/32/61/898473261.db2.gz HGCLZTQYYIBZRT-GFCCVEGCSA-N 2 2 293.371 -0.496 20 0 CBADLP C[C@H](CN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1)[NH2+]CCO ZINC001379158498 898480687 /nfs/dbraw/zinc/48/06/87/898480687.db2.gz ZWKOPQYOYQPEFV-VXGBXAGGSA-N 2 2 280.372 -0.126 20 0 CBADLP O=C(NC[C@@H](O)C[NH2+]CC1CC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001379208065 898503679 /nfs/dbraw/zinc/50/36/79/898503679.db2.gz OKLFNLKSIMEHFP-OCCSQVGLSA-N 2 2 292.383 -0.078 20 0 CBADLP O=C(NC[C@@H](O)C[NH2+]CC1CC1)[C@H]1CCc2c[nH+]cn2C1 ZINC001379208063 898505122 /nfs/dbraw/zinc/50/51/22/898505122.db2.gz OKLFNLKSIMEHFP-JSGCOSHPSA-N 2 2 292.383 -0.078 20 0 CBADLP CCN(CC[NH2+][C@H]1CCN(C)C1=O)C(=O)Cc1c[nH+]c[nH]1 ZINC001379317018 898545630 /nfs/dbraw/zinc/54/56/30/898545630.db2.gz BUEDJMQYHFGMRF-LBPRGKRZSA-N 2 2 293.371 -0.379 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]Cc1ccon1 ZINC001379373962 898589224 /nfs/dbraw/zinc/58/92/24/898589224.db2.gz QSDLCJIZLAFGBO-RYUDHWBXSA-N 2 2 282.344 -0.665 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]Cc1ccon1 ZINC001379373962 898589233 /nfs/dbraw/zinc/58/92/33/898589233.db2.gz QSDLCJIZLAFGBO-RYUDHWBXSA-N 2 2 282.344 -0.665 20 0 CBADLP CC(C)NC(=O)C[NH2+]C[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001379430757 898610899 /nfs/dbraw/zinc/61/08/99/898610899.db2.gz XQFUDLUCXOQENJ-SNVBAGLBSA-N 2 2 281.360 -0.429 20 0 CBADLP Cc1cc(C)c(C(=O)NC[C@H](CO)[NH2+]CCO)c(C)[nH+]1 ZINC001379441535 898618534 /nfs/dbraw/zinc/61/85/34/898618534.db2.gz OWVWTAIOIRZBEE-GFCCVEGCSA-N 2 2 281.356 -0.321 20 0 CBADLP C[C@@H](C[NH2+]CC(=O)NC1CC1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001379508598 898649694 /nfs/dbraw/zinc/64/96/94/898649694.db2.gz DJCJWDVGRCQIIH-JTQLQIEISA-N 2 2 293.371 -0.285 20 0 CBADLP C[C@@H](C[NH2+]CC(=O)NC1CC1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001379508598 898649699 /nfs/dbraw/zinc/64/96/99/898649699.db2.gz DJCJWDVGRCQIIH-JTQLQIEISA-N 2 2 293.371 -0.285 20 0 CBADLP Cc1conc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001379530836 898657619 /nfs/dbraw/zinc/65/76/19/898657619.db2.gz VCBIGLRQYAZTSN-NWDGAFQWSA-N 2 2 296.371 -0.499 20 0 CBADLP Cc1conc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001379530836 898657626 /nfs/dbraw/zinc/65/76/26/898657626.db2.gz VCBIGLRQYAZTSN-NWDGAFQWSA-N 2 2 296.371 -0.499 20 0 CBADLP C[C@@H]([NH2+]C[C@H](C)NC(=O)CCc1[nH+]ccn1C)C(N)=O ZINC001379528452 898657943 /nfs/dbraw/zinc/65/79/43/898657943.db2.gz BEPPFXWPPHHGFU-VHSXEESVSA-N 2 2 281.360 -0.679 20 0 CBADLP CCN(C)C(=O)C[NH2+]C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001379606960 898681353 /nfs/dbraw/zinc/68/13/53/898681353.db2.gz QWBVZNPPMVWQBW-NSHDSACASA-N 2 2 281.360 -0.544 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001379792905 898732090 /nfs/dbraw/zinc/73/20/90/898732090.db2.gz SZDYPFNLWQOZFE-WDEREUQCSA-N 2 2 295.387 -0.237 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001379792905 898732099 /nfs/dbraw/zinc/73/20/99/898732099.db2.gz SZDYPFNLWQOZFE-WDEREUQCSA-N 2 2 295.387 -0.237 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C[NH2+]CC(N)=O)C1CC1 ZINC001379908604 898757458 /nfs/dbraw/zinc/75/74/58/898757458.db2.gz LWNZYVNGVGKJRT-SKDRFNHKSA-N 2 2 293.371 -0.442 20 0 CBADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C[NH2+]CC(N)=O)C1CC1 ZINC001379908604 898757472 /nfs/dbraw/zinc/75/74/72/898757472.db2.gz LWNZYVNGVGKJRT-SKDRFNHKSA-N 2 2 293.371 -0.442 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001380005418 898787211 /nfs/dbraw/zinc/78/72/11/898787211.db2.gz ATYRLMNSLHREFX-NEPJUHHUSA-N 2 2 296.415 -0.347 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001380005418 898787220 /nfs/dbraw/zinc/78/72/20/898787220.db2.gz ATYRLMNSLHREFX-NEPJUHHUSA-N 2 2 296.415 -0.347 20 0 CBADLP CC[C@@H]([NH2+]C1(CNC(=O)Cc2c[nH+]cn2C)CC1)C(N)=O ZINC001380157038 898823117 /nfs/dbraw/zinc/82/31/17/898823117.db2.gz HYMQMZOKIFYUQX-LLVKDONJSA-N 2 2 293.371 -0.535 20 0 CBADLP CN(C)C(=O)C[NH2+]C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001380301928 898851655 /nfs/dbraw/zinc/85/16/55/898851655.db2.gz QWZNBAVASVFBOG-LBPRGKRZSA-N 2 2 293.371 -0.448 20 0 CBADLP C[N@H+](CC(=O)N[C@@]1(C)CC[NH+](CC(N)=O)C1)C1CCC1 ZINC001380348126 898860338 /nfs/dbraw/zinc/86/03/38/898860338.db2.gz IBMPQQROCHZKKI-AWEZNQCLSA-N 2 2 282.388 -0.463 20 0 CBADLP C[N@@H+](CC(=O)N[C@@]1(C)CC[NH+](CC(N)=O)C1)C1CCC1 ZINC001380348126 898860352 /nfs/dbraw/zinc/86/03/52/898860352.db2.gz IBMPQQROCHZKKI-AWEZNQCLSA-N 2 2 282.388 -0.463 20 0 CBADLP C[NH+](CC(=O)N[C@@]1(C)CC[N@H+](CC(N)=O)C1)C1CCC1 ZINC001380348126 898860365 /nfs/dbraw/zinc/86/03/65/898860365.db2.gz IBMPQQROCHZKKI-AWEZNQCLSA-N 2 2 282.388 -0.463 20 0 CBADLP C[NH+](CC(=O)N[C@@]1(C)CC[N@@H+](CC(N)=O)C1)C1CCC1 ZINC001380348126 898860373 /nfs/dbraw/zinc/86/03/73/898860373.db2.gz IBMPQQROCHZKKI-AWEZNQCLSA-N 2 2 282.388 -0.463 20 0 CBADLP C[N@H+](CC(=O)N[C@]1(C)CC[NH+](CC(N)=O)C1)C1CCC1 ZINC001380348127 898861575 /nfs/dbraw/zinc/86/15/75/898861575.db2.gz IBMPQQROCHZKKI-CQSZACIVSA-N 2 2 282.388 -0.463 20 0 CBADLP C[N@@H+](CC(=O)N[C@]1(C)CC[NH+](CC(N)=O)C1)C1CCC1 ZINC001380348127 898861584 /nfs/dbraw/zinc/86/15/84/898861584.db2.gz IBMPQQROCHZKKI-CQSZACIVSA-N 2 2 282.388 -0.463 20 0 CBADLP C[NH+](CC(=O)N[C@]1(C)CC[N@H+](CC(N)=O)C1)C1CCC1 ZINC001380348127 898861592 /nfs/dbraw/zinc/86/15/92/898861592.db2.gz IBMPQQROCHZKKI-CQSZACIVSA-N 2 2 282.388 -0.463 20 0 CBADLP C[NH+](CC(=O)N[C@]1(C)CC[N@@H+](CC(N)=O)C1)C1CCC1 ZINC001380348127 898861603 /nfs/dbraw/zinc/86/16/03/898861603.db2.gz IBMPQQROCHZKKI-CQSZACIVSA-N 2 2 282.388 -0.463 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@]1(O)CC[N@H+](CCO)C1 ZINC001380555291 898899485 /nfs/dbraw/zinc/89/94/85/898899485.db2.gz UBFDVWXBUXEPRC-RISCZKNCSA-N 2 2 296.371 -0.866 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1 ZINC001380555291 898899490 /nfs/dbraw/zinc/89/94/90/898899490.db2.gz UBFDVWXBUXEPRC-RISCZKNCSA-N 2 2 296.371 -0.866 20 0 CBADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@]1(O)CC[N@H+](CCO)C1 ZINC001380555291 898899501 /nfs/dbraw/zinc/89/95/01/898899501.db2.gz UBFDVWXBUXEPRC-RISCZKNCSA-N 2 2 296.371 -0.866 20 0 CBADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1 ZINC001380555291 898899510 /nfs/dbraw/zinc/89/95/10/898899510.db2.gz UBFDVWXBUXEPRC-RISCZKNCSA-N 2 2 296.371 -0.866 20 0 CBADLP CCCC[NH+]1CC(O)(CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001380651468 898928607 /nfs/dbraw/zinc/92/86/07/898928607.db2.gz WSHNEEXMQXGAHB-CYBMUJFWSA-N 2 2 299.415 -0.330 20 0 CBADLP CCCC[NH+]1CC(O)(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001380651468 898928619 /nfs/dbraw/zinc/92/86/19/898928619.db2.gz WSHNEEXMQXGAHB-CYBMUJFWSA-N 2 2 299.415 -0.330 20 0 CBADLP CCC[NH+]1CC(O)(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001380651826 898930793 /nfs/dbraw/zinc/93/07/93/898930793.db2.gz YGKHKTWBDZSIEI-LBPRGKRZSA-N 2 2 285.388 -0.720 20 0 CBADLP CCC[NH+]1CC(O)(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001380651826 898930805 /nfs/dbraw/zinc/93/08/05/898930805.db2.gz YGKHKTWBDZSIEI-LBPRGKRZSA-N 2 2 285.388 -0.720 20 0 CBADLP CNC(=O)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001380688618 898934511 /nfs/dbraw/zinc/93/45/11/898934511.db2.gz XRECVAJWBSWHEY-WDEREUQCSA-N 2 2 293.371 -0.475 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@@](CO)([NH2+]CCF)C1 ZINC001381046869 898988334 /nfs/dbraw/zinc/98/83/34/898988334.db2.gz PHZZFEJBFBUDGS-CQSZACIVSA-N 2 2 298.362 -0.125 20 0 CBADLP C[C@@H](CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)[NH2+]CCO ZINC001381206130 899012328 /nfs/dbraw/zinc/01/23/28/899012328.db2.gz WCTAGZRVUMBDDR-NWDGAFQWSA-N 2 2 280.372 -0.078 20 0 CBADLP NC(=O)C[NH2+]CC1CC(NC(=O)CCCn2cc[nH+]c2)C1 ZINC001381345584 899034010 /nfs/dbraw/zinc/03/40/10/899034010.db2.gz YFHFFSXTKAKIFX-UHFFFAOYSA-N 2 2 293.371 -0.367 20 0 CBADLP C[C@@H](NC(=O)Cc1c[nH+]cn1C)[C@@H](C)[NH2+]CC(=O)N(C)C ZINC001381445805 899054461 /nfs/dbraw/zinc/05/44/61/899054461.db2.gz RKIXTQMKQFKSIC-GHMZBOCLSA-N 2 2 295.387 -0.466 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@@H](C)C1C[NH+]([C@H](C)C(N)=O)C1 ZINC001381832295 899119885 /nfs/dbraw/zinc/11/98/85/899119885.db2.gz WMIUWDHCYLVRCB-VHSXEESVSA-N 2 2 293.371 -0.498 20 0 CBADLP C[C@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)[NH2+][C@@H](C)C(=O)N(C)C ZINC001382126585 899159808 /nfs/dbraw/zinc/15/98/08/899159808.db2.gz XSYJKXSGKVNKPT-MNOVXSKESA-N 2 2 295.387 -0.135 20 0 CBADLP C[C@@H](CN(C)C(=O)Cc1[nH]cc[nH+]1)NC(=O)CC[NH+](C)C ZINC001382178145 899175886 /nfs/dbraw/zinc/17/58/86/899175886.db2.gz CIUZXIQGILTHPE-NSHDSACASA-N 2 2 295.387 -0.133 20 0 CBADLP CC(C)[NH2+][C@H](CO)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001382206362 899192345 /nfs/dbraw/zinc/19/23/45/899192345.db2.gz HVUJNWNZUBZQPO-NEPJUHHUSA-N 2 2 280.372 -0.079 20 0 CBADLP C[C@@H]1C[C@@H]([NH2+]CC(N)=O)CN1C(=O)CCCn1cc[nH+]c1 ZINC001382305282 899242754 /nfs/dbraw/zinc/24/27/54/899242754.db2.gz BYYHIGOWCOLZOS-VXGBXAGGSA-N 2 2 293.371 -0.272 20 0 CBADLP CNC(=O)C[NH2+]C1CC(N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001382589395 899334436 /nfs/dbraw/zinc/33/44/36/899334436.db2.gz NCXGBFZSBKTSDY-UHFFFAOYSA-N 2 2 293.371 -0.712 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC001387755076 899827226 /nfs/dbraw/zinc/82/72/26/899827226.db2.gz GYABOTBQMRIBCJ-UHFFFAOYSA-N 2 2 293.371 -0.450 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC001387755076 899827233 /nfs/dbraw/zinc/82/72/33/899827233.db2.gz GYABOTBQMRIBCJ-UHFFFAOYSA-N 2 2 293.371 -0.450 20 0 CBADLP C[NH+](C)CCC(=O)NCC1CN(C(=O)Cn2cc[nH+]c2)C1 ZINC001387930046 899850570 /nfs/dbraw/zinc/85/05/70/899850570.db2.gz NOEWMIOSRHOBCL-UHFFFAOYSA-N 2 2 293.371 -0.591 20 0 CBADLP CC[C@H](CNC(=O)CC[NH+](C)C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001388172048 899872843 /nfs/dbraw/zinc/87/28/43/899872843.db2.gz GDWWMTWAEQQPQX-LLVKDONJSA-N 2 2 295.387 -0.085 20 0 CBADLP C[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1)C(N)=O ZINC001388727387 899904871 /nfs/dbraw/zinc/90/48/71/899904871.db2.gz KEGNTXUOFQRJQC-OPRDCNLKSA-N 2 2 279.344 -0.690 20 0 CBADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001389320018 899993633 /nfs/dbraw/zinc/99/36/33/899993633.db2.gz OZAUHQYSHOLCIA-QWRGUYRKSA-N 2 2 293.371 -0.333 20 0 CBADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001389320018 899993638 /nfs/dbraw/zinc/99/36/38/899993638.db2.gz OZAUHQYSHOLCIA-QWRGUYRKSA-N 2 2 293.371 -0.333 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001389452574 900016694 /nfs/dbraw/zinc/01/66/94/900016694.db2.gz BLGOBBOXTCBDSF-LLVKDONJSA-N 2 2 282.388 -0.593 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001389452574 900016696 /nfs/dbraw/zinc/01/66/96/900016696.db2.gz BLGOBBOXTCBDSF-LLVKDONJSA-N 2 2 282.388 -0.593 20 0 CBADLP CNC(=O)C[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001389452574 900016699 /nfs/dbraw/zinc/01/66/99/900016699.db2.gz BLGOBBOXTCBDSF-LLVKDONJSA-N 2 2 282.388 -0.593 20 0 CBADLP CNC(=O)C[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001389452574 900016703 /nfs/dbraw/zinc/01/67/03/900016703.db2.gz BLGOBBOXTCBDSF-LLVKDONJSA-N 2 2 282.388 -0.593 20 0 CBADLP CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001389514543 900032218 /nfs/dbraw/zinc/03/22/18/900032218.db2.gz TVGXXTQKSSHNKR-GFCCVEGCSA-N 2 2 282.388 -0.591 20 0 CBADLP CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001389514543 900032225 /nfs/dbraw/zinc/03/22/25/900032225.db2.gz TVGXXTQKSSHNKR-GFCCVEGCSA-N 2 2 282.388 -0.591 20 0 CBADLP CN(C)C(=O)C[NH2+][C@H](CNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001389681698 900058652 /nfs/dbraw/zinc/05/86/52/900058652.db2.gz BEJXGFHGURUBCA-GFCCVEGCSA-N 2 2 293.371 -0.544 20 0 CBADLP CC[C@H]([NH2+][C@H](CNC(=O)Cn1cc[nH+]c1)C1CC1)C(N)=O ZINC001389696253 900058925 /nfs/dbraw/zinc/05/89/25/900058925.db2.gz RSZQBZTVQLOLSK-NWDGAFQWSA-N 2 2 293.371 -0.369 20 0 CBADLP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1)C(N)=O ZINC001389984501 900101805 /nfs/dbraw/zinc/10/18/05/900101805.db2.gz UYDSTBVFMNFGRR-INTQDDNPSA-N 2 2 279.344 -0.547 20 0 CBADLP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1)C(N)=O ZINC001389984501 900101811 /nfs/dbraw/zinc/10/18/11/900101811.db2.gz UYDSTBVFMNFGRR-INTQDDNPSA-N 2 2 279.344 -0.547 20 0 CBADLP NC(=O)C[NH2+]C[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001390066738 900112215 /nfs/dbraw/zinc/11/22/15/900112215.db2.gz BIIUFXZZZJPRIR-LLVKDONJSA-N 2 2 293.371 -0.344 20 0 CBADLP NC(=O)C[NH2+]C[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001390066738 900112222 /nfs/dbraw/zinc/11/22/22/900112222.db2.gz BIIUFXZZZJPRIR-LLVKDONJSA-N 2 2 293.371 -0.344 20 0 CBADLP CC[C@@H](C(=O)NC[C@@H]1CCCC[N@@H+]1CC(N)=O)[NH+](C)C ZINC001390138884 900118894 /nfs/dbraw/zinc/11/88/94/900118894.db2.gz JZHWQIDTJQMVDC-RYUDHWBXSA-N 2 2 284.404 -0.217 20 0 CBADLP CC[C@@H](C(=O)NC[C@@H]1CCCC[N@H+]1CC(N)=O)[NH+](C)C ZINC001390138884 900118902 /nfs/dbraw/zinc/11/89/02/900118902.db2.gz JZHWQIDTJQMVDC-RYUDHWBXSA-N 2 2 284.404 -0.217 20 0 CBADLP CC[C@H](C(=O)NC[C@@H]1CCCC[N@@H+]1CC(N)=O)[NH+](C)C ZINC001390147845 900118933 /nfs/dbraw/zinc/11/89/33/900118933.db2.gz JZHWQIDTJQMVDC-NWDGAFQWSA-N 2 2 284.404 -0.217 20 0 CBADLP CC[C@H](C(=O)NC[C@@H]1CCCC[N@H+]1CC(N)=O)[NH+](C)C ZINC001390147845 900118939 /nfs/dbraw/zinc/11/89/39/900118939.db2.gz JZHWQIDTJQMVDC-NWDGAFQWSA-N 2 2 284.404 -0.217 20 0 CBADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@H]1CCCN(C)C1=O ZINC001390495562 900176574 /nfs/dbraw/zinc/17/65/74/900176574.db2.gz OPDKUTMVNRIXDP-MNOVXSKESA-N 2 2 293.371 -0.333 20 0 CBADLP COC[C@H](O)C[NH2+][C@@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001390520680 900181008 /nfs/dbraw/zinc/18/10/08/900181008.db2.gz IDTYBFCYDKCUET-GXSJLCMTSA-N 2 2 284.360 -0.638 20 0 CBADLP C[C@H](CNC(=O)CCCn1cc[nH+]c1)[NH2+][C@H]1CCNC1=O ZINC001390529059 900183735 /nfs/dbraw/zinc/18/37/35/900183735.db2.gz BMWZIQZJTDGDDU-NEPJUHHUSA-N 2 2 293.371 -0.354 20 0 CBADLP C[C@H](CNC(=O)CCCn1cc[nH+]c1)[NH2+][C@@H]1CCNC1=O ZINC001390529065 900184359 /nfs/dbraw/zinc/18/43/59/900184359.db2.gz BMWZIQZJTDGDDU-VXGBXAGGSA-N 2 2 293.371 -0.354 20 0 CBADLP CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001390592653 900194135 /nfs/dbraw/zinc/19/41/35/900194135.db2.gz CMZVXDFPZLRDDE-GFCCVEGCSA-N 2 2 293.371 -0.543 20 0 CBADLP C[C@H](CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)[NH2+]CCO ZINC001390676262 900209797 /nfs/dbraw/zinc/20/97/97/900209797.db2.gz WCTAGZRVUMBDDR-VXGBXAGGSA-N 2 2 280.372 -0.078 20 0 CBADLP CNC(=O)[C@H](C)[N@H+](C)CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001390833708 900263708 /nfs/dbraw/zinc/26/37/08/900263708.db2.gz AUXIPJQDFGVNOX-ZDUSSCGKSA-N 2 2 298.431 -0.099 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001390833708 900263724 /nfs/dbraw/zinc/26/37/24/900263724.db2.gz AUXIPJQDFGVNOX-ZDUSSCGKSA-N 2 2 298.431 -0.099 20 0 CBADLP CCN(C)C(=O)C[N@H+](C)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001390845651 900264781 /nfs/dbraw/zinc/26/47/81/900264781.db2.gz NEWSHDJKJXOMLQ-CYBMUJFWSA-N 2 2 298.431 -0.146 20 0 CBADLP CCN(C)C(=O)C[N@@H+](C)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001390845651 900264795 /nfs/dbraw/zinc/26/47/95/900264795.db2.gz NEWSHDJKJXOMLQ-CYBMUJFWSA-N 2 2 298.431 -0.146 20 0 CBADLP CCN(C)C(=O)C[NH+](C)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001390845651 900264811 /nfs/dbraw/zinc/26/48/11/900264811.db2.gz NEWSHDJKJXOMLQ-CYBMUJFWSA-N 2 2 298.431 -0.146 20 0 CBADLP CCN(C)C(=O)C[NH+](C)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001390845651 900264822 /nfs/dbraw/zinc/26/48/22/900264822.db2.gz NEWSHDJKJXOMLQ-CYBMUJFWSA-N 2 2 298.431 -0.146 20 0 CBADLP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCC[N@H+](C)CC(N)=O)C1 ZINC001390843399 900268105 /nfs/dbraw/zinc/26/81/05/900268105.db2.gz GMNCPKLQGHQVCF-VXGBXAGGSA-N 2 2 284.404 -0.360 20 0 CBADLP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCC[N@@H+](C)CC(N)=O)C1 ZINC001390843399 900268113 /nfs/dbraw/zinc/26/81/13/900268113.db2.gz GMNCPKLQGHQVCF-VXGBXAGGSA-N 2 2 284.404 -0.360 20 0 CBADLP CC(C)[C@H](C(=O)NCC[N@H+](C)CC(N)=O)[NH+]1CCCC1 ZINC001390865369 900275279 /nfs/dbraw/zinc/27/52/79/900275279.db2.gz QTYCMZQKPWHELD-CYBMUJFWSA-N 2 2 284.404 -0.360 20 0 CBADLP CC(C)[C@H](C(=O)NCC[N@@H+](C)CC(N)=O)[NH+]1CCCC1 ZINC001390865369 900275292 /nfs/dbraw/zinc/27/52/92/900275292.db2.gz QTYCMZQKPWHELD-CYBMUJFWSA-N 2 2 284.404 -0.360 20 0 CBADLP CC[N@H+](CCNC(=O)Cn1cc[nH+]c1)CCn1cncn1 ZINC001390998198 900287327 /nfs/dbraw/zinc/28/73/27/900287327.db2.gz CVTHUKRDPANTHM-UHFFFAOYSA-N 2 2 291.359 -0.387 20 0 CBADLP CC[N@@H+](CCNC(=O)Cn1cc[nH+]c1)CCn1cncn1 ZINC001390998198 900287331 /nfs/dbraw/zinc/28/73/31/900287331.db2.gz CVTHUKRDPANTHM-UHFFFAOYSA-N 2 2 291.359 -0.387 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001391093664 900309630 /nfs/dbraw/zinc/30/96/30/900309630.db2.gz DTHRSPQMUPWWBP-GFCCVEGCSA-N 2 2 293.371 -0.624 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001391093664 900309646 /nfs/dbraw/zinc/30/96/46/900309646.db2.gz DTHRSPQMUPWWBP-GFCCVEGCSA-N 2 2 293.371 -0.624 20 0 CBADLP CN(CC[NH2+][C@@H]1CCNC1=O)C(=O)CCn1cc[nH+]c1 ZINC001391213372 900338378 /nfs/dbraw/zinc/33/83/78/900338378.db2.gz OLRMSACVIJAPOL-LLVKDONJSA-N 2 2 279.344 -0.790 20 0 CBADLP CN(CC[NH2+][C@@H]1CCCN(C)C1=O)C(=O)Cn1cc[nH+]c1 ZINC001391226997 900341964 /nfs/dbraw/zinc/34/19/64/900341964.db2.gz PUZXWBOUFHVTCK-GFCCVEGCSA-N 2 2 293.371 -0.448 20 0 CBADLP CO[C@H](C)C[NH+]1CC(NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001391454250 900385637 /nfs/dbraw/zinc/38/56/37/900385637.db2.gz ZIWQFWKTGWGKKU-GFCCVEGCSA-N 2 2 299.415 -0.068 20 0 CBADLP CNC(=O)C[NH+]1CC(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001391523006 900401382 /nfs/dbraw/zinc/40/13/82/900401382.db2.gz IDNPCTZWLDFENN-UHFFFAOYSA-N 2 2 296.415 -0.344 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NCC1C[NH+]([C@H](C)C(N)=O)C1 ZINC001391522113 900402702 /nfs/dbraw/zinc/40/27/02/900402702.db2.gz HDLHXRRJRJZIHF-SNVBAGLBSA-N 2 2 270.377 -0.752 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NCC1C[NH+]([C@H](C)C(N)=O)C1 ZINC001391522113 900402706 /nfs/dbraw/zinc/40/27/06/900402706.db2.gz HDLHXRRJRJZIHF-SNVBAGLBSA-N 2 2 270.377 -0.752 20 0 CBADLP CC[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2cnnn2C)C1)[NH+](C)C ZINC001391560588 900408518 /nfs/dbraw/zinc/40/85/18/900408518.db2.gz DGJFDQHXFWASPY-AAEUAGOBSA-N 2 2 294.403 -0.154 20 0 CBADLP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2cnnn2C)C1)[NH+](C)C ZINC001391560588 900408523 /nfs/dbraw/zinc/40/85/23/900408523.db2.gz DGJFDQHXFWASPY-AAEUAGOBSA-N 2 2 294.403 -0.154 20 0 CBADLP CN(C(=O)CCc1[nH+]ccn1C)[C@H]1CC[N@H+](CCO)C1 ZINC001391614034 900416287 /nfs/dbraw/zinc/41/62/87/900416287.db2.gz PXRONCPYTVKIDV-LBPRGKRZSA-N 2 2 280.372 -0.122 20 0 CBADLP CN(C(=O)CCc1[nH+]ccn1C)[C@H]1CC[N@@H+](CCO)C1 ZINC001391614034 900416299 /nfs/dbraw/zinc/41/62/99/900416299.db2.gz PXRONCPYTVKIDV-LBPRGKRZSA-N 2 2 280.372 -0.122 20 0 CBADLP CC[C@@H](C(=O)N(C)[C@H]1CC[N@H+](CC(N)=O)C1)[NH+](C)C ZINC001391621115 900420749 /nfs/dbraw/zinc/42/07/49/900420749.db2.gz MIDFATIICBZEHC-QWRGUYRKSA-N 2 2 270.377 -0.655 20 0 CBADLP CC[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](CC(N)=O)C1)[NH+](C)C ZINC001391621115 900420757 /nfs/dbraw/zinc/42/07/57/900420757.db2.gz MIDFATIICBZEHC-QWRGUYRKSA-N 2 2 270.377 -0.655 20 0 CBADLP CC[C@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)[NH2+]CC(N)=O ZINC001391727198 900442155 /nfs/dbraw/zinc/44/21/55/900442155.db2.gz KJKUIZVHTUOAFK-GHMZBOCLSA-N 2 2 281.360 -0.196 20 0 CBADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C[NH2+]Cc1ncnn1C ZINC001391927451 900464176 /nfs/dbraw/zinc/46/41/76/900464176.db2.gz IKLQAADEKMJPQJ-SNVBAGLBSA-N 2 2 291.359 -0.377 20 0 CBADLP C[C@@H]([NH2+]C[C@@H](C)CNC(=O)CCc1c[nH+]cn1C)C(N)=O ZINC001391951303 900470089 /nfs/dbraw/zinc/47/00/89/900470089.db2.gz FCHSBYLUGFLIBE-GHMZBOCLSA-N 2 2 295.387 -0.432 20 0 CBADLP C[C@H](C[NH2+]CC(N)=O)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001392101807 900511218 /nfs/dbraw/zinc/51/12/18/900511218.db2.gz DKJMHUMYLQVPDK-GMTAPVOTSA-N 2 2 293.371 -0.555 20 0 CBADLP CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001392121793 900521451 /nfs/dbraw/zinc/52/14/51/900521451.db2.gz IGYOGACAMGJKOG-SNVBAGLBSA-N 2 2 295.387 -0.167 20 0 CBADLP CNC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001392175183 900527355 /nfs/dbraw/zinc/52/73/55/900527355.db2.gz AUWIZGNEGWYTPT-MNOVXSKESA-N 2 2 293.371 -0.475 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C[NH2+]CC(N)=O)CC(C)C ZINC001392161875 900527476 /nfs/dbraw/zinc/52/74/76/900527476.db2.gz GACLWVUUESJLAI-LLVKDONJSA-N 2 2 295.387 -0.134 20 0 CBADLP CC(C)[C@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+][C@H](C)C(N)=O ZINC001392237277 900535362 /nfs/dbraw/zinc/53/53/62/900535362.db2.gz XOLIPCKZJCUXIB-PWSUYJOCSA-N 2 2 295.387 -0.054 20 0 CBADLP CC(C)[C@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH2+][C@H](C)C(N)=O ZINC001392237277 900535371 /nfs/dbraw/zinc/53/53/71/900535371.db2.gz XOLIPCKZJCUXIB-PWSUYJOCSA-N 2 2 295.387 -0.054 20 0 CBADLP CNC(=O)[C@H](C)[N@H+](C)CCN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001392286223 900556176 /nfs/dbraw/zinc/55/61/76/900556176.db2.gz ANVQLEGTCHVMLS-QWHCGFSZSA-N 2 2 298.431 -0.005 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+](C)CCN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001392286223 900556183 /nfs/dbraw/zinc/55/61/83/900556183.db2.gz ANVQLEGTCHVMLS-QWHCGFSZSA-N 2 2 298.431 -0.005 20 0 CBADLP CNC(=O)[C@H](C)[NH+](C)CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001392286223 900556190 /nfs/dbraw/zinc/55/61/90/900556190.db2.gz ANVQLEGTCHVMLS-QWHCGFSZSA-N 2 2 298.431 -0.005 20 0 CBADLP CNC(=O)[C@H](C)[NH+](C)CCN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001392286223 900556197 /nfs/dbraw/zinc/55/61/97/900556197.db2.gz ANVQLEGTCHVMLS-QWHCGFSZSA-N 2 2 298.431 -0.005 20 0 CBADLP CNC(=O)C[N@H+](C)CCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001392312943 900560402 /nfs/dbraw/zinc/56/04/02/900560402.db2.gz NIPNADFLBSCQBH-UHFFFAOYSA-N 2 2 298.431 -0.146 20 0 CBADLP CNC(=O)C[N@@H+](C)CCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001392312943 900560409 /nfs/dbraw/zinc/56/04/09/900560409.db2.gz NIPNADFLBSCQBH-UHFFFAOYSA-N 2 2 298.431 -0.146 20 0 CBADLP CNC(=O)C[N@@H+](C)CCN(C)C(=O)C[NH+]1CCCC1 ZINC001392324781 900565194 /nfs/dbraw/zinc/56/51/94/900565194.db2.gz AJKRGEYUTNECEE-UHFFFAOYSA-N 2 2 270.377 -0.782 20 0 CBADLP Cc1cnc(C[NH2+]C[C@H](O)CNC(=O)C[NH+]2CCCC2)o1 ZINC001392415787 900612274 /nfs/dbraw/zinc/61/22/74/900612274.db2.gz AFYLCNNDJMHYKU-LBPRGKRZSA-N 2 2 296.371 -0.354 20 0 CBADLP CC[C@H](F)C[NH2+]C[C@H](O)CNC(=O)Cc1c[nH+]cn1C ZINC001392421398 900612467 /nfs/dbraw/zinc/61/24/67/900612467.db2.gz IVPHLPRHAZBNKO-JQWIXIFHSA-N 2 2 286.351 -0.223 20 0 CBADLP CCN(CC[NH2+][C@H](C)C(=O)NC)C(=O)CCc1c[nH]c[nH+]1 ZINC001392444691 900619545 /nfs/dbraw/zinc/61/95/45/900619545.db2.gz UWTOTPHZUKEGSO-LLVKDONJSA-N 2 2 295.387 -0.085 20 0 CBADLP CCN(CC[NH2+][C@H](C)C(=O)NC)C(=O)CCc1c[nH+]c[nH]1 ZINC001392444691 900619550 /nfs/dbraw/zinc/61/95/50/900619550.db2.gz UWTOTPHZUKEGSO-LLVKDONJSA-N 2 2 295.387 -0.085 20 0 CBADLP C[C@H](C[NH2+][C@@H]1CCNC1=O)NC(=O)CCc1c[nH]c[nH+]1 ZINC001392485050 900634822 /nfs/dbraw/zinc/63/48/22/900634822.db2.gz SSGUISKXQYHBOX-MWLCHTKSSA-N 2 2 279.344 -0.675 20 0 CBADLP C[C@H](C[NH2+][C@@H]1CCNC1=O)NC(=O)CCc1c[nH+]c[nH]1 ZINC001392485050 900634828 /nfs/dbraw/zinc/63/48/28/900634828.db2.gz SSGUISKXQYHBOX-MWLCHTKSSA-N 2 2 279.344 -0.675 20 0 CBADLP CC[C@@H](C(=O)N[C@H](C)C[NH2+]Cc1nc(=O)n(C)[nH]1)[NH+](C)C ZINC001392512172 900641587 /nfs/dbraw/zinc/64/15/87/900641587.db2.gz OTOCBKVSLRHMHJ-ZJUUUORDSA-N 2 2 298.391 -0.957 20 0 CBADLP CCC[N@H+](C)CC(=O)N[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001392518209 900643944 /nfs/dbraw/zinc/64/39/44/900643944.db2.gz GXBZQCLAAVKYRR-LLVKDONJSA-N 2 2 295.387 -0.085 20 0 CBADLP CCC[N@@H+](C)CC(=O)N[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001392518209 900643948 /nfs/dbraw/zinc/64/39/48/900643948.db2.gz GXBZQCLAAVKYRR-LLVKDONJSA-N 2 2 295.387 -0.085 20 0 CBADLP Cc1ncc(C[NH2+]C[C@H](C)NC(=O)[C@H]2C[N@H+](C)CCO2)o1 ZINC001392552124 900657090 /nfs/dbraw/zinc/65/70/90/900657090.db2.gz IEOPIYHRQSTXPZ-GXFFZTMASA-N 2 2 296.371 -0.092 20 0 CBADLP Cc1ncc(C[NH2+]C[C@H](C)NC(=O)[C@H]2C[N@@H+](C)CCO2)o1 ZINC001392552124 900657092 /nfs/dbraw/zinc/65/70/92/900657092.db2.gz IEOPIYHRQSTXPZ-GXFFZTMASA-N 2 2 296.371 -0.092 20 0 CBADLP C[C@@H](C[NH2+][C@H]1CCNC1=O)NC(=O)CCn1cc[nH+]c1 ZINC001392583250 900668176 /nfs/dbraw/zinc/66/81/76/900668176.db2.gz MPTKORUBEQECFL-QWRGUYRKSA-N 2 2 279.344 -0.744 20 0 CBADLP C[C@H](C[N@H+](C)CCO)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001392683384 900698833 /nfs/dbraw/zinc/69/88/33/900698833.db2.gz SALRXBXOEXEWDP-SNVBAGLBSA-N 2 2 284.360 -0.221 20 0 CBADLP C[C@H](C[N@@H+](C)CCO)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001392683384 900698841 /nfs/dbraw/zinc/69/88/41/900698841.db2.gz SALRXBXOEXEWDP-SNVBAGLBSA-N 2 2 284.360 -0.221 20 0 CBADLP CC[C@H]([NH2+]C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1)C(N)=O ZINC001393059068 900787545 /nfs/dbraw/zinc/78/75/45/900787545.db2.gz YDNMVVKLBIUJDD-RYUDHWBXSA-N 2 2 293.371 -0.272 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@](C)(C[NH2+]CC(N)=O)C1 ZINC001393158558 900800024 /nfs/dbraw/zinc/80/00/24/900800024.db2.gz BQEJZZJBLQTICT-AWEZNQCLSA-N 2 2 293.371 -0.426 20 0 CBADLP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@]1(O)CC[NH+](CCF)C1 ZINC001393250508 900814350 /nfs/dbraw/zinc/81/43/50/900814350.db2.gz UCEDHYUUVMMUCS-OCCSQVGLSA-N 2 2 287.379 -0.007 20 0 CBADLP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@]1(O)CC[NH+](CCF)C1 ZINC001393250508 900814358 /nfs/dbraw/zinc/81/43/58/900814358.db2.gz UCEDHYUUVMMUCS-OCCSQVGLSA-N 2 2 287.379 -0.007 20 0 CBADLP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@]1(O)CC[N@H+](CCF)C1 ZINC001393250508 900814367 /nfs/dbraw/zinc/81/43/67/900814367.db2.gz UCEDHYUUVMMUCS-OCCSQVGLSA-N 2 2 287.379 -0.007 20 0 CBADLP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@]1(O)CC[N@@H+](CCF)C1 ZINC001393250508 900814373 /nfs/dbraw/zinc/81/43/73/900814373.db2.gz UCEDHYUUVMMUCS-OCCSQVGLSA-N 2 2 287.379 -0.007 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)NCC1(O)C[NH+](CCCF)C1 ZINC001393302407 900832969 /nfs/dbraw/zinc/83/29/69/900832969.db2.gz JFSGTTMUELWTQL-NSHDSACASA-N 2 2 273.352 -0.397 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)NCC1(O)C[NH+](CCCF)C1 ZINC001393302407 900832974 /nfs/dbraw/zinc/83/29/74/900832974.db2.gz JFSGTTMUELWTQL-NSHDSACASA-N 2 2 273.352 -0.397 20 0 CBADLP CC(C)[C@@H](C(=O)NCC1(O)C[NH+](C[C@@H](C)O)C1)[NH+](C)C ZINC001393316645 900837805 /nfs/dbraw/zinc/83/78/05/900837805.db2.gz TXWVOAGNOFAQHU-NEPJUHHUSA-N 2 2 287.404 -0.884 20 0 CBADLP Cc1[nH+]cc2n1C[C@H](C(=O)N1CC([NH2+]C3COC3)C1)CC2 ZINC001456518761 914481714 /nfs/dbraw/zinc/48/17/14/914481714.db2.gz PMXLJGVDMWTMIW-LLVKDONJSA-N 2 2 290.367 -0.047 20 0 CBADLP C[C@@H]([NH2+]CC(N)=O)[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001393394799 900852637 /nfs/dbraw/zinc/85/26/37/900852637.db2.gz YEDZGKWOKYFTRS-NEPJUHHUSA-N 2 2 293.371 -0.415 20 0 CBADLP CNC(=O)C[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001393741868 900899923 /nfs/dbraw/zinc/89/99/23/900899923.db2.gz KJPNFELXUKZERM-MNOVXSKESA-N 2 2 279.344 -0.934 20 0 CBADLP COCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001393871324 900921030 /nfs/dbraw/zinc/92/10/30/900921030.db2.gz LFVKWGYQFHQUOR-KGLIPLIRSA-N 2 2 299.415 -0.114 20 0 CBADLP COCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001393871324 900921040 /nfs/dbraw/zinc/92/10/40/900921040.db2.gz LFVKWGYQFHQUOR-KGLIPLIRSA-N 2 2 299.415 -0.114 20 0 CBADLP COCC[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001393871324 900921047 /nfs/dbraw/zinc/92/10/47/900921047.db2.gz LFVKWGYQFHQUOR-KGLIPLIRSA-N 2 2 299.415 -0.114 20 0 CBADLP C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)[C@H](C)[NH2+]CC(=O)N1CCC1 ZINC001393972862 900943654 /nfs/dbraw/zinc/94/36/54/900943654.db2.gz DZAUIVPXASKOAF-WDEREUQCSA-N 2 2 293.371 -0.333 20 0 CBADLP C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](C)[NH2+]Cc1nnn(C)n1 ZINC001393966542 900944503 /nfs/dbraw/zinc/94/45/03/900944503.db2.gz QFKVRGDNVIEJHG-GHMZBOCLSA-N 2 2 297.407 -0.465 20 0 CBADLP C[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1)C(N)=O ZINC001394374711 901019047 /nfs/dbraw/zinc/01/90/47/901019047.db2.gz QKDLNSHLYMXLMB-GUBZILKMSA-N 2 2 279.344 -0.690 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001394447424 901027634 /nfs/dbraw/zinc/02/76/34/901027634.db2.gz JEZAATUQIPZQMA-LBPRGKRZSA-N 2 2 293.371 -0.475 20 0 CBADLP CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001394741727 901136098 /nfs/dbraw/zinc/13/60/98/901136098.db2.gz KBLICYCSWJRIIK-WCQYABFASA-N 2 2 280.372 -0.126 20 0 CBADLP C[C@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)NC(=O)CC[NH+](C)C ZINC001395680768 901222290 /nfs/dbraw/zinc/22/22/90/901222290.db2.gz PXDAFZBPXIMFSO-LLVKDONJSA-N 2 2 295.387 -0.133 20 0 CBADLP CN(C[C@H]1CC[N@@H+]1[C@@H]1CCNC1=O)C(=O)CCC[NH+](C)C ZINC001397551923 901426376 /nfs/dbraw/zinc/42/63/76/901426376.db2.gz YDXGRCAZXWEGMV-CHWSQXEVSA-N 2 2 296.415 -0.251 20 0 CBADLP CN(C[C@H]1CC[N@H+]1[C@@H]1CCNC1=O)C(=O)CCC[NH+](C)C ZINC001397551923 901426381 /nfs/dbraw/zinc/42/63/81/901426381.db2.gz YDXGRCAZXWEGMV-CHWSQXEVSA-N 2 2 296.415 -0.251 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001397571241 901433581 /nfs/dbraw/zinc/43/35/81/901433581.db2.gz PUNQFIDDFUDBBR-STQMWFEESA-N 2 2 296.415 -0.393 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001397571241 901433593 /nfs/dbraw/zinc/43/35/93/901433593.db2.gz PUNQFIDDFUDBBR-STQMWFEESA-N 2 2 296.415 -0.393 20 0 CBADLP CNC(=O)C[NH+]1CC[C@H]1CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001397571241 901433604 /nfs/dbraw/zinc/43/36/04/901433604.db2.gz PUNQFIDDFUDBBR-STQMWFEESA-N 2 2 296.415 -0.393 20 0 CBADLP CNC(=O)C[NH+]1CC[C@H]1CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001397571241 901433615 /nfs/dbraw/zinc/43/36/15/901433615.db2.gz PUNQFIDDFUDBBR-STQMWFEESA-N 2 2 296.415 -0.393 20 0 CBADLP CN(C)C(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001397601483 901437595 /nfs/dbraw/zinc/43/75/95/901437595.db2.gz FSDXPNLXZXXPQA-PHIMTYICSA-N 2 2 293.371 -0.475 20 0 CBADLP CCN(CCNC(=O)Cn1cc[nH+]c1)C(=O)CC[NH+](C)C ZINC001398099473 901499031 /nfs/dbraw/zinc/49/90/31/901499031.db2.gz AUEYLLGBFQKCDJ-UHFFFAOYSA-N 2 2 295.387 -0.201 20 0 CBADLP CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001398357219 901529055 /nfs/dbraw/zinc/52/90/55/901529055.db2.gz NLIRHCQJICHTPY-VXGBXAGGSA-N 2 2 282.388 -0.735 20 0 CBADLP CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001398357219 901529060 /nfs/dbraw/zinc/52/90/60/901529060.db2.gz NLIRHCQJICHTPY-VXGBXAGGSA-N 2 2 282.388 -0.735 20 0 CBADLP CCNC(=O)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001398357219 901529063 /nfs/dbraw/zinc/52/90/63/901529063.db2.gz NLIRHCQJICHTPY-VXGBXAGGSA-N 2 2 282.388 -0.735 20 0 CBADLP CCNC(=O)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001398357219 901529071 /nfs/dbraw/zinc/52/90/71/901529071.db2.gz NLIRHCQJICHTPY-VXGBXAGGSA-N 2 2 282.388 -0.735 20 0 CBADLP CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001398357214 901531411 /nfs/dbraw/zinc/53/14/11/901531411.db2.gz NLIRHCQJICHTPY-RYUDHWBXSA-N 2 2 282.388 -0.735 20 0 CBADLP CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001398357214 901531426 /nfs/dbraw/zinc/53/14/26/901531426.db2.gz NLIRHCQJICHTPY-RYUDHWBXSA-N 2 2 282.388 -0.735 20 0 CBADLP CCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001398357214 901531436 /nfs/dbraw/zinc/53/14/36/901531436.db2.gz NLIRHCQJICHTPY-RYUDHWBXSA-N 2 2 282.388 -0.735 20 0 CBADLP CCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001398357214 901531445 /nfs/dbraw/zinc/53/14/45/901531445.db2.gz NLIRHCQJICHTPY-RYUDHWBXSA-N 2 2 282.388 -0.735 20 0 CBADLP C[C@H]([NH2+][C@@H](CNC(=O)CCn1cc[nH+]c1)C1CC1)C(N)=O ZINC001398442002 901536951 /nfs/dbraw/zinc/53/69/51/901536951.db2.gz ZZNUFCSCDLGJIE-JQWIXIFHSA-N 2 2 293.371 -0.369 20 0 CBADLP C[C@H]([NH2+][C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C1CC1)C(N)=O ZINC001398437424 901537035 /nfs/dbraw/zinc/53/70/35/901537035.db2.gz ANTYDUNHQGNLJD-KWQFWETISA-N 2 2 279.344 -0.690 20 0 CBADLP C[C@@H]([NH2+][C@@H](CNC(=O)CCn1cc[nH+]c1)C1CC1)C(N)=O ZINC001398442003 901537704 /nfs/dbraw/zinc/53/77/04/901537704.db2.gz ZZNUFCSCDLGJIE-PWSUYJOCSA-N 2 2 293.371 -0.369 20 0 CBADLP C[C@H](CC(=O)N[C@@H]1C[C@@H]([NH2+][C@H](C)C(N)=O)C1)n1cc[nH+]c1 ZINC001398564055 901561799 /nfs/dbraw/zinc/56/17/99/901561799.db2.gz NPQYHENFMZGZMC-DDHJBXDOSA-N 2 2 293.371 -0.055 20 0 CBADLP CCN(C)C(=O)C[NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001398564010 901562384 /nfs/dbraw/zinc/56/23/84/901562384.db2.gz SRSGMLGOJBUUAS-HAQNSBGRSA-N 2 2 293.371 -0.402 20 0 CBADLP C[NH+](C)CCC(=O)N1CC(NC(=O)CCn2cc[nH+]c2)C1 ZINC001398642710 901582054 /nfs/dbraw/zinc/58/20/54/901582054.db2.gz NNNKEHDFIMBLOH-UHFFFAOYSA-N 2 2 293.371 -0.448 20 0 CBADLP C[C@H]([NH2+]C[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1)C(N)=O ZINC001398743044 901599202 /nfs/dbraw/zinc/59/92/02/901599202.db2.gz OCGJRTGUNLHJMV-WDEREUQCSA-N 2 2 293.371 -0.346 20 0 CBADLP Cc1oncc1C[NH2+][C@@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001398903479 901626219 /nfs/dbraw/zinc/62/62/19/901626219.db2.gz XNOUMTIDPZUIRY-GXFFZTMASA-N 2 2 296.371 -0.092 20 0 CBADLP Cc1oncc1C[NH2+][C@@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001398903479 901626225 /nfs/dbraw/zinc/62/62/25/901626225.db2.gz XNOUMTIDPZUIRY-GXFFZTMASA-N 2 2 296.371 -0.092 20 0 CBADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]Cc1cncn1C ZINC001399098135 901666700 /nfs/dbraw/zinc/66/67/00/901666700.db2.gz CJIYGGZRTZMFJR-LLVKDONJSA-N 2 2 290.371 -0.009 20 0 CBADLP CNC(=O)C[NH2+][C@H](C)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001399112329 901668273 /nfs/dbraw/zinc/66/82/73/901668273.db2.gz JHLQYQBQQVGRAB-NXEZZACHSA-N 2 2 281.360 -0.571 20 0 CBADLP Cc1noc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001399119017 901669350 /nfs/dbraw/zinc/66/93/50/901669350.db2.gz PCPKOKIPJNKNNT-ONGXEEELSA-N 2 2 281.360 -0.076 20 0 CBADLP Cc1noc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001399119017 901669357 /nfs/dbraw/zinc/66/93/57/901669357.db2.gz PCPKOKIPJNKNNT-ONGXEEELSA-N 2 2 281.360 -0.076 20 0 CBADLP C[C@H](CNC(=O)CCc1c[nH+]cn1C)[NH2+][C@@H]1CCNC1=O ZINC001399136722 901672707 /nfs/dbraw/zinc/67/27/07/901672707.db2.gz VXLCVDZVDHEHDR-ZYHUDNBSSA-N 2 2 293.371 -0.665 20 0 CBADLP CC[C@H](C)NC(=O)C[NH2+][C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001399156915 901677682 /nfs/dbraw/zinc/67/76/82/901677682.db2.gz IWYMDIUJQKEOJA-NWDGAFQWSA-N 2 2 295.387 -0.108 20 0 CBADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CC(=O)N1CCC1 ZINC001399162311 901678616 /nfs/dbraw/zinc/67/86/16/901678616.db2.gz NDCOCZNHFNDGFY-LLVKDONJSA-N 2 2 279.344 -0.790 20 0 CBADLP CN(C)C(=O)C[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001399239474 901685583 /nfs/dbraw/zinc/68/55/83/901685583.db2.gz GSHRPLUPUCDFEB-NSHDSACASA-N 2 2 293.371 -0.522 20 0 CBADLP C[C@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+]CC(=O)N(C)C ZINC001399424354 901712936 /nfs/dbraw/zinc/71/29/36/901712936.db2.gz ATRUIWHRIRLYPO-LLVKDONJSA-N 2 2 281.360 -0.544 20 0 CBADLP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CC(N)=O ZINC001399483264 901736310 /nfs/dbraw/zinc/73/63/10/901736310.db2.gz DEMWTQGGOFEKQR-NSHDSACASA-N 2 2 270.377 -0.606 20 0 CBADLP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CC(N)=O ZINC001399483264 901736322 /nfs/dbraw/zinc/73/63/22/901736322.db2.gz DEMWTQGGOFEKQR-NSHDSACASA-N 2 2 270.377 -0.606 20 0 CBADLP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)CC(N)=O ZINC001399483264 901736334 /nfs/dbraw/zinc/73/63/34/901736334.db2.gz DEMWTQGGOFEKQR-NSHDSACASA-N 2 2 270.377 -0.606 20 0 CBADLP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)CC(N)=O ZINC001399483264 901736340 /nfs/dbraw/zinc/73/63/40/901736340.db2.gz DEMWTQGGOFEKQR-NSHDSACASA-N 2 2 270.377 -0.606 20 0 CBADLP CN(C)C(=O)C[N@H+](C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001399510909 901741830 /nfs/dbraw/zinc/74/18/30/901741830.db2.gz HLKIBFWTBRGYBC-UHFFFAOYSA-N 2 2 296.415 -0.249 20 0 CBADLP CN(C)C(=O)C[N@@H+](C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001399510909 901741845 /nfs/dbraw/zinc/74/18/45/901741845.db2.gz HLKIBFWTBRGYBC-UHFFFAOYSA-N 2 2 296.415 -0.249 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001399568390 901746765 /nfs/dbraw/zinc/74/67/65/901746765.db2.gz METYBMZSMQTKBX-GFCCVEGCSA-N 2 2 284.404 -0.347 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001399568390 901746774 /nfs/dbraw/zinc/74/67/74/901746774.db2.gz METYBMZSMQTKBX-GFCCVEGCSA-N 2 2 284.404 -0.347 20 0 CBADLP CC(C)NC(=O)C[NH+](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001399568390 901746782 /nfs/dbraw/zinc/74/67/82/901746782.db2.gz METYBMZSMQTKBX-GFCCVEGCSA-N 2 2 284.404 -0.347 20 0 CBADLP CC(C)NC(=O)C[NH+](C)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001399568390 901746788 /nfs/dbraw/zinc/74/67/88/901746788.db2.gz METYBMZSMQTKBX-GFCCVEGCSA-N 2 2 284.404 -0.347 20 0 CBADLP CC[C@@H](C(=O)NCC[N@H+](C)CC(=O)N(C)CC)[NH+](C)C ZINC001399571813 901752386 /nfs/dbraw/zinc/75/23/86/901752386.db2.gz AAWMQTTWMJLUSC-LBPRGKRZSA-N 2 2 286.420 -0.147 20 0 CBADLP CC[C@@H](C(=O)NCC[N@@H+](C)CC(=O)N(C)CC)[NH+](C)C ZINC001399571813 901752397 /nfs/dbraw/zinc/75/23/97/901752397.db2.gz AAWMQTTWMJLUSC-LBPRGKRZSA-N 2 2 286.420 -0.147 20 0 CBADLP CCNC(=O)C[N@@H+](C)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001399646579 901766665 /nfs/dbraw/zinc/76/66/65/901766665.db2.gz UVQILIMSODFQLW-GFCCVEGCSA-N 2 2 284.404 -0.488 20 0 CBADLP CCNC(=O)C[NH+](C)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001399646579 901766673 /nfs/dbraw/zinc/76/66/73/901766673.db2.gz UVQILIMSODFQLW-GFCCVEGCSA-N 2 2 284.404 -0.488 20 0 CBADLP CCNC(=O)C[N@H+](C)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001399646579 901766652 /nfs/dbraw/zinc/76/66/52/901766652.db2.gz UVQILIMSODFQLW-GFCCVEGCSA-N 2 2 284.404 -0.488 20 0 CBADLP CCNC(=O)C[NH+](C)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001399646579 901766682 /nfs/dbraw/zinc/76/66/82/901766682.db2.gz UVQILIMSODFQLW-GFCCVEGCSA-N 2 2 284.404 -0.488 20 0 CBADLP Cn1ncnc1C[N@@H+]1CC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001399932109 901838722 /nfs/dbraw/zinc/83/87/22/901838722.db2.gz QTTLXPZBHVKFLT-LBPRGKRZSA-N 2 2 294.403 -0.295 20 0 CBADLP Cn1ncnc1C[N@H+]1CC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001399932109 901838731 /nfs/dbraw/zinc/83/87/31/901838731.db2.gz QTTLXPZBHVKFLT-LBPRGKRZSA-N 2 2 294.403 -0.295 20 0 CBADLP CC(C)[C@@H](C(=O)NCC[N@H+](CC(N)=O)C1CC1)[NH+](C)C ZINC001400002746 901855851 /nfs/dbraw/zinc/85/58/51/901855851.db2.gz BFQRLKKMOXWZGE-ZDUSSCGKSA-N 2 2 284.404 -0.362 20 0 CBADLP CC(C)[C@@H](C(=O)NCC[N@@H+](CC(N)=O)C1CC1)[NH+](C)C ZINC001400002746 901855856 /nfs/dbraw/zinc/85/58/56/901855856.db2.gz BFQRLKKMOXWZGE-ZDUSSCGKSA-N 2 2 284.404 -0.362 20 0 CBADLP Cc1cn(C(C)(C)C(=O)N(C)CC[NH2+][C@@H](C)C(N)=O)c[nH+]1 ZINC001400048373 901862850 /nfs/dbraw/zinc/86/28/50/901862850.db2.gz HNKUZSCDUVFSSI-NSHDSACASA-N 2 2 295.387 -0.152 20 0 CBADLP C[C@@H]([NH2+]CCN(C)C(=O)Cc1c[nH+]cn1C)C(=O)N(C)C ZINC001400066521 901869988 /nfs/dbraw/zinc/86/99/88/901869988.db2.gz OPAVBRFFQWXBMA-LLVKDONJSA-N 2 2 295.387 -0.513 20 0 CBADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)NC(=O)CCC[NH+](C)C ZINC001400072170 901873376 /nfs/dbraw/zinc/87/33/76/901873376.db2.gz GRGGLDYZTSSRJS-GFCCVEGCSA-N 2 2 295.387 -0.154 20 0 CBADLP CN(CC[NH2+][C@@H]1CCNC1=O)C(=O)CCc1c[nH+]cn1C ZINC001400082362 901874487 /nfs/dbraw/zinc/87/44/87/901874487.db2.gz SNKSLTRCFVAFDF-GFCCVEGCSA-N 2 2 293.371 -0.711 20 0 CBADLP CC[N@H+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC(N)=O ZINC001400116238 901881139 /nfs/dbraw/zinc/88/11/39/901881139.db2.gz RXZRWTSGPSOKKK-TXEJJXNPSA-N 2 2 282.388 -0.511 20 0 CBADLP CC[N@@H+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC(N)=O ZINC001400116238 901881148 /nfs/dbraw/zinc/88/11/48/901881148.db2.gz RXZRWTSGPSOKKK-TXEJJXNPSA-N 2 2 282.388 -0.511 20 0 CBADLP CC[NH+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(N)=O ZINC001400116238 901881152 /nfs/dbraw/zinc/88/11/52/901881152.db2.gz RXZRWTSGPSOKKK-TXEJJXNPSA-N 2 2 282.388 -0.511 20 0 CBADLP CC[NH+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(N)=O ZINC001400116238 901881156 /nfs/dbraw/zinc/88/11/56/901881156.db2.gz RXZRWTSGPSOKKK-TXEJJXNPSA-N 2 2 282.388 -0.511 20 0 CBADLP CCC[N@H+](C)CC(=O)NC1C[NH+](C[C@H](O)COC)C1 ZINC001400427369 901939674 /nfs/dbraw/zinc/93/96/74/901939674.db2.gz DKUSQUBLMDCGSF-LBPRGKRZSA-N 2 2 273.377 -0.864 20 0 CBADLP CCC[N@@H+](C)CC(=O)NC1C[NH+](C[C@H](O)COC)C1 ZINC001400427369 901939693 /nfs/dbraw/zinc/93/96/93/901939693.db2.gz DKUSQUBLMDCGSF-LBPRGKRZSA-N 2 2 273.377 -0.864 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CC(CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001400497172 901956867 /nfs/dbraw/zinc/95/68/67/901956867.db2.gz BLTROSHYEMRXJV-DGCLKSJQSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CC(CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001400497172 901956875 /nfs/dbraw/zinc/95/68/75/901956875.db2.gz BLTROSHYEMRXJV-DGCLKSJQSA-N 2 2 296.415 -0.217 20 0 CBADLP CC[C@@H](C)NC(=O)C[NH+]1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001400524671 901959777 /nfs/dbraw/zinc/95/97/77/901959777.db2.gz JBKPGJPHGZAQIA-GFCCVEGCSA-N 2 2 298.431 -0.099 20 0 CBADLP CNC(=O)[C@H](C)[NH+]1CC(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001400511480 901960729 /nfs/dbraw/zinc/96/07/29/901960729.db2.gz VSOAGVWUXGOGSR-NSHDSACASA-N 2 2 296.415 -0.347 20 0 CBADLP CNC(=O)[C@H](C)[NH+]1CC(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001400511480 901960739 /nfs/dbraw/zinc/96/07/39/901960739.db2.gz VSOAGVWUXGOGSR-NSHDSACASA-N 2 2 296.415 -0.347 20 0 CBADLP C[C@@H]1CC[N@H+](CC(=O)NCC2C[NH+]([C@H]3CCNC3=O)C2)C1 ZINC001400523259 901961493 /nfs/dbraw/zinc/96/14/93/901961493.db2.gz BKMLGRKJQVLCDR-YPMHNXCESA-N 2 2 294.399 -0.735 20 0 CBADLP C[C@@H]1CC[N@@H+](CC(=O)NCC2C[NH+]([C@H]3CCNC3=O)C2)C1 ZINC001400523259 901961503 /nfs/dbraw/zinc/96/15/03/901961503.db2.gz BKMLGRKJQVLCDR-YPMHNXCESA-N 2 2 294.399 -0.735 20 0 CBADLP CC[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@H]1CCCNC1=O ZINC001400870910 902034147 /nfs/dbraw/zinc/03/41/47/902034147.db2.gz WLBVMLICNJXWAI-MNOVXSKESA-N 2 2 293.371 -0.285 20 0 CBADLP CC[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CC(=O)N1CCC1 ZINC001400913158 902037139 /nfs/dbraw/zinc/03/71/39/902037139.db2.gz FZXGTYZOCUXUQU-LBPRGKRZSA-N 2 2 293.371 -0.400 20 0 CBADLP CC[C@@H]([NH2+]C[C@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1)C(N)=O ZINC001401092510 902048062 /nfs/dbraw/zinc/04/80/62/902048062.db2.gz IFDIKQSRZGIOHW-GHMZBOCLSA-N 2 2 293.371 -0.203 20 0 CBADLP CC(C)C[C@@H](C[NH2+]CC(N)=O)NC(=O)Cn1cc[nH+]c1 ZINC001401271872 902098831 /nfs/dbraw/zinc/09/88/31/902098831.db2.gz LMADIAQEPYSZFZ-NSHDSACASA-N 2 2 281.360 -0.511 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]([NH2+]CCO)C(C)C)C1 ZINC001401350031 902106976 /nfs/dbraw/zinc/10/69/76/902106976.db2.gz MLXCZJKPAHIIDO-STQMWFEESA-N 2 2 287.404 -0.570 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]([NH2+]CCO)C(C)C)C1 ZINC001401350031 902106981 /nfs/dbraw/zinc/10/69/81/902106981.db2.gz MLXCZJKPAHIIDO-STQMWFEESA-N 2 2 287.404 -0.570 20 0 CBADLP CN(CC[N@H+](C)CC(=O)N1CCC1)C(=O)[C@@H]1CCC[NH+]1C ZINC001401358946 902111270 /nfs/dbraw/zinc/11/12/70/902111270.db2.gz LULPIWFEXOUMOC-ZDUSSCGKSA-N 2 2 296.415 -0.297 20 0 CBADLP CN(CC[N@@H+](C)CC(=O)N1CCC1)C(=O)[C@@H]1CCC[NH+]1C ZINC001401358946 902111281 /nfs/dbraw/zinc/11/12/81/902111281.db2.gz LULPIWFEXOUMOC-ZDUSSCGKSA-N 2 2 296.415 -0.297 20 0 CBADLP CN(CC[NH+](C)CC(=O)N1CCC1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001401358946 902111285 /nfs/dbraw/zinc/11/12/85/902111285.db2.gz LULPIWFEXOUMOC-ZDUSSCGKSA-N 2 2 296.415 -0.297 20 0 CBADLP CN(CC[NH+](C)CC(=O)N1CCC1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001401358946 902111294 /nfs/dbraw/zinc/11/12/94/902111294.db2.gz LULPIWFEXOUMOC-ZDUSSCGKSA-N 2 2 296.415 -0.297 20 0 CBADLP CNC(=O)C[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001401437454 902124298 /nfs/dbraw/zinc/12/42/98/902124298.db2.gz LOXWLNMVJDTSFF-LLVKDONJSA-N 2 2 270.377 -0.926 20 0 CBADLP CNC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001401437454 902124286 /nfs/dbraw/zinc/12/42/86/902124286.db2.gz LOXWLNMVJDTSFF-LLVKDONJSA-N 2 2 270.377 -0.926 20 0 CBADLP CNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001401437454 902124289 /nfs/dbraw/zinc/12/42/89/902124289.db2.gz LOXWLNMVJDTSFF-LLVKDONJSA-N 2 2 270.377 -0.926 20 0 CBADLP CNC(=O)C[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001401437454 902124294 /nfs/dbraw/zinc/12/42/94/902124294.db2.gz LOXWLNMVJDTSFF-LLVKDONJSA-N 2 2 270.377 -0.926 20 0 CBADLP Cc1cn(C(C)(C)C(=O)NC[C@H](O)C[NH2+]C[C@@H](C)O)c[nH+]1 ZINC001401548726 902161467 /nfs/dbraw/zinc/16/14/67/902161467.db2.gz YWMFEUZJGDSGLA-VXGBXAGGSA-N 2 2 298.387 -0.626 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC[C@@H](O)C[NH2+]Cc1ccon1 ZINC001401565190 902169793 /nfs/dbraw/zinc/16/97/93/902169793.db2.gz LFNLXAPIVSUBRU-LBPRGKRZSA-N 2 2 293.327 -0.554 20 0 CBADLP Cc1ncc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2C[N@H+](C)CCO2)o1 ZINC001401618170 902193374 /nfs/dbraw/zinc/19/33/74/902193374.db2.gz IEOPIYHRQSTXPZ-ZWNOBZJWSA-N 2 2 296.371 -0.092 20 0 CBADLP Cc1ncc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2C[N@@H+](C)CCO2)o1 ZINC001401618170 902193381 /nfs/dbraw/zinc/19/33/81/902193381.db2.gz IEOPIYHRQSTXPZ-ZWNOBZJWSA-N 2 2 296.371 -0.092 20 0 CBADLP C[C@H](C[NH2+][C@@H]1CCCNC1=O)NC(=O)Cc1[nH]cc[nH+]1 ZINC001401652991 902208564 /nfs/dbraw/zinc/20/85/64/902208564.db2.gz FZXBOAHQAFUNTH-NXEZZACHSA-N 2 2 279.344 -0.675 20 0 CBADLP CCN(C)C(=O)C[NH2+]C[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001401649588 902209563 /nfs/dbraw/zinc/20/95/63/902209563.db2.gz UQMIQBKGRYUHGN-SNVBAGLBSA-N 2 2 281.360 -0.475 20 0 CBADLP C[C@H](C[NH2+][C@@H](C)C(=O)NC1CC1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001401653118 902210178 /nfs/dbraw/zinc/21/01/78/902210178.db2.gz GYWUWRSANFORIM-ZJUUUORDSA-N 2 2 293.371 -0.286 20 0 CBADLP C[C@@H](C[NH2+]Cc1nncn1C)NC(=O)CCn1cc[nH+]c1 ZINC001401699806 902236517 /nfs/dbraw/zinc/23/65/17/902236517.db2.gz JGJVZUPCZQRBHX-NSHDSACASA-N 2 2 291.359 -0.304 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C[NH2+]CC(=O)N1CCC1 ZINC001401718823 902244029 /nfs/dbraw/zinc/24/40/29/902244029.db2.gz SMRLPQQHWNGAOE-JTQLQIEISA-N 2 2 293.371 -0.413 20 0 CBADLP C[C@@H](C[N@H+](C)CCO)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001401762214 902266444 /nfs/dbraw/zinc/26/64/44/902266444.db2.gz NQVZOADYBFICRN-RYUDHWBXSA-N 2 2 280.372 -0.126 20 0 CBADLP C[C@@H](C[N@@H+](C)CCO)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001401762214 902266453 /nfs/dbraw/zinc/26/64/53/902266453.db2.gz NQVZOADYBFICRN-RYUDHWBXSA-N 2 2 280.372 -0.126 20 0 CBADLP C[C@H](C[N@H+](C)CCO)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001401770426 902266640 /nfs/dbraw/zinc/26/66/40/902266640.db2.gz VLSZCXDHABDXNV-NEPJUHHUSA-N 2 2 280.372 -0.126 20 0 CBADLP C[C@H](C[N@@H+](C)CCO)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001401770426 902266650 /nfs/dbraw/zinc/26/66/50/902266650.db2.gz VLSZCXDHABDXNV-NEPJUHHUSA-N 2 2 280.372 -0.126 20 0 CBADLP C[C@@H](C[N@H+](C)[C@H]1CCNC1=O)NC(=O)Cc1c[nH+]cn1C ZINC001401795141 902275910 /nfs/dbraw/zinc/27/59/10/902275910.db2.gz FWDVQVMMINDHFD-JQWIXIFHSA-N 2 2 293.371 -0.712 20 0 CBADLP C[C@@H](C[N@@H+](C)[C@H]1CCNC1=O)NC(=O)Cc1c[nH+]cn1C ZINC001401795141 902275924 /nfs/dbraw/zinc/27/59/24/902275924.db2.gz FWDVQVMMINDHFD-JQWIXIFHSA-N 2 2 293.371 -0.712 20 0 CBADLP CCC[N@H+](C)CC(=O)NC[C@@H]1CC[NH+]1CC(=O)N1CCC1 ZINC001401934723 902318282 /nfs/dbraw/zinc/31/82/82/902318282.db2.gz JXBBTHLWOZCMRG-ZDUSSCGKSA-N 2 2 296.415 -0.249 20 0 CBADLP CCC[N@@H+](C)CC(=O)NC[C@@H]1CC[NH+]1CC(=O)N1CCC1 ZINC001401934723 902318301 /nfs/dbraw/zinc/31/83/01/902318301.db2.gz JXBBTHLWOZCMRG-ZDUSSCGKSA-N 2 2 296.415 -0.249 20 0 CBADLP CCC[NH+](C)CC(=O)NC[C@@H]1CC[N@@H+]1CC(=O)N1CCC1 ZINC001401934723 902318315 /nfs/dbraw/zinc/31/83/15/902318315.db2.gz JXBBTHLWOZCMRG-ZDUSSCGKSA-N 2 2 296.415 -0.249 20 0 CBADLP CCC[NH+](C)CC(=O)NC[C@@H]1CC[N@H+]1CC(=O)N1CCC1 ZINC001401934723 902318326 /nfs/dbraw/zinc/31/83/26/902318326.db2.gz JXBBTHLWOZCMRG-ZDUSSCGKSA-N 2 2 296.415 -0.249 20 0 CBADLP CCNC(=O)C[NH2+]C1(CNC(=O)CCn2cc[nH+]c2)CC1 ZINC001401955708 902323235 /nfs/dbraw/zinc/32/32/35/902323235.db2.gz GWBQCDUCPXMYTC-UHFFFAOYSA-N 2 2 293.371 -0.352 20 0 CBADLP C[C@H]([NH2+]C[C@@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1)C(N)=O ZINC001402058118 902345701 /nfs/dbraw/zinc/34/57/01/902345701.db2.gz OCZMOMHKYLFHPU-UWVGGRQHSA-N 2 2 279.344 -0.593 20 0 CBADLP COC[C@@H](O)C[NH2+]C[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001402066822 902348980 /nfs/dbraw/zinc/34/89/80/902348980.db2.gz YLFYIOWORJRSSS-OLZOCXBDSA-N 2 2 296.371 -0.460 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CCC(C)(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001402088686 902354099 /nfs/dbraw/zinc/35/40/99/902354099.db2.gz UDJBCHRULDYSNE-LLVKDONJSA-N 2 2 293.371 -0.272 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001402140666 902369316 /nfs/dbraw/zinc/36/93/16/902369316.db2.gz VGMOLVIOCBGJLV-DOMZBBRYSA-N 2 2 296.415 -0.345 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@](C)(NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001402140666 902369326 /nfs/dbraw/zinc/36/93/26/902369326.db2.gz VGMOLVIOCBGJLV-DOMZBBRYSA-N 2 2 296.415 -0.345 20 0 CBADLP CNC(=O)C[NH+]1CC[C@](C)(NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001402140666 902369336 /nfs/dbraw/zinc/36/93/36/902369336.db2.gz VGMOLVIOCBGJLV-DOMZBBRYSA-N 2 2 296.415 -0.345 20 0 CBADLP CNC(=O)C[NH+]1CC[C@](C)(NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001402140666 902369346 /nfs/dbraw/zinc/36/93/46/902369346.db2.gz VGMOLVIOCBGJLV-DOMZBBRYSA-N 2 2 296.415 -0.345 20 0 CBADLP CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001402175271 902376660 /nfs/dbraw/zinc/37/66/60/902376660.db2.gz HGMAITIZRPWTFH-GFCCVEGCSA-N 2 2 296.415 -0.203 20 0 CBADLP CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001402175271 902376672 /nfs/dbraw/zinc/37/66/72/902376672.db2.gz HGMAITIZRPWTFH-GFCCVEGCSA-N 2 2 296.415 -0.203 20 0 CBADLP C[C@@H](O)C[NH+]1CC(O)(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001402344237 902430081 /nfs/dbraw/zinc/43/00/81/902430081.db2.gz XKQFGPBBIVPGIM-LLVKDONJSA-N 2 2 285.388 -0.986 20 0 CBADLP C[C@@H](O)C[NH+]1CC(O)(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001402344237 902430083 /nfs/dbraw/zinc/43/00/83/902430083.db2.gz XKQFGPBBIVPGIM-LLVKDONJSA-N 2 2 285.388 -0.986 20 0 CBADLP C[NH+]1CCC(C(=O)NCC2(O)C[NH+](CCCF)C2)CC1 ZINC001402357672 902432594 /nfs/dbraw/zinc/43/25/94/902432594.db2.gz UXVXHOFIYMPLGN-UHFFFAOYSA-N 2 2 287.379 -0.149 20 0 CBADLP CO[C@@H](C)C[NH+]1CC(O)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001402378657 902440946 /nfs/dbraw/zinc/44/09/46/902440946.db2.gz DYDKOUHYVRXKRO-NSHDSACASA-N 2 2 296.371 -0.611 20 0 CBADLP COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001402467147 902459165 /nfs/dbraw/zinc/45/91/65/902459165.db2.gz LOLOOYJYXQRDQZ-NWDGAFQWSA-N 2 2 282.344 -0.919 20 0 CBADLP CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001402497961 902465936 /nfs/dbraw/zinc/46/59/36/902465936.db2.gz AMXZNIQFOUHBHN-XYPYZODXSA-N 2 2 279.344 -0.675 20 0 CBADLP CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001402497961 902465939 /nfs/dbraw/zinc/46/59/39/902465939.db2.gz AMXZNIQFOUHBHN-XYPYZODXSA-N 2 2 279.344 -0.675 20 0 CBADLP CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1)C(N)=O ZINC001402500711 902466474 /nfs/dbraw/zinc/46/64/74/902466474.db2.gz IRBQEKLLIOTBKI-IJLUTSLNSA-N 2 2 293.371 -0.157 20 0 CBADLP CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1)C(N)=O ZINC001402500711 902466482 /nfs/dbraw/zinc/46/64/82/902466482.db2.gz IRBQEKLLIOTBKI-IJLUTSLNSA-N 2 2 293.371 -0.157 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001402547818 902476417 /nfs/dbraw/zinc/47/64/17/902476417.db2.gz MANYUBAJHULQBI-DCAQKATOSA-N 2 2 279.344 -0.746 20 0 CBADLP COC[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001402626445 902493822 /nfs/dbraw/zinc/49/38/22/902493822.db2.gz ANMNKLQDGPPIPU-OUAUKWLOSA-N 2 2 282.344 -0.804 20 0 CBADLP CC[C@H](C(=O)N[C@@H]1COC2(C[NH+](CCCO)C2)C1)[NH+](C)C ZINC001402727325 902510135 /nfs/dbraw/zinc/51/01/35/902510135.db2.gz PSHMFQYEACNCJA-QWHCGFSZSA-N 2 2 299.415 -0.332 20 0 CBADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001458137679 914631634 /nfs/dbraw/zinc/63/16/34/914631634.db2.gz WTOIFNRMPNXNES-MNOVXSKESA-N 2 2 293.371 -0.475 20 0 CBADLP CC1([NH2+]CC(N)=O)CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001402766933 902514218 /nfs/dbraw/zinc/51/42/18/902514218.db2.gz BIXKFVZMLWVBQX-UHFFFAOYSA-N 2 2 293.371 -0.271 20 0 CBADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001458137679 914631641 /nfs/dbraw/zinc/63/16/41/914631641.db2.gz WTOIFNRMPNXNES-MNOVXSKESA-N 2 2 293.371 -0.475 20 0 CBADLP CNC(=O)C[NH2+][C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C ZINC001402779151 902517946 /nfs/dbraw/zinc/51/79/46/902517946.db2.gz AOUCERGBMSOJJP-ONGXEEELSA-N 2 2 279.344 -0.865 20 0 CBADLP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001402796217 902523233 /nfs/dbraw/zinc/52/32/33/902523233.db2.gz SIKSGMGMHFHXSE-CMPLNLGQSA-N 2 2 293.371 -0.523 20 0 CBADLP C[C@H](CC(=O)NCC[C@H](C)[NH2+]CC(N)=O)n1cc[nH+]c1 ZINC001402853045 902540345 /nfs/dbraw/zinc/54/03/45/902540345.db2.gz OOXXEPWYLJKZPE-WDEREUQCSA-N 2 2 281.360 -0.196 20 0 CBADLP Cc1ncoc1C[NH2+][C@@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001402865696 902542298 /nfs/dbraw/zinc/54/22/98/902542298.db2.gz LHEPCRQLSXFFCY-GXFFZTMASA-N 2 2 296.371 -0.092 20 0 CBADLP Cc1ncoc1C[NH2+][C@@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001402865696 902542303 /nfs/dbraw/zinc/54/23/03/902542303.db2.gz LHEPCRQLSXFFCY-GXFFZTMASA-N 2 2 296.371 -0.092 20 0 CBADLP C[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]CC(N)=O ZINC001402927971 902563775 /nfs/dbraw/zinc/56/37/75/902563775.db2.gz XCAAFGCAOHNIRY-MRVPVSSYSA-N 2 2 275.312 -0.244 20 0 CBADLP C[C@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)[NH2+]CC(N)=O ZINC001402938529 902567544 /nfs/dbraw/zinc/56/75/44/902567544.db2.gz MAUOTPFTERELCA-ZJUUUORDSA-N 2 2 279.344 -0.975 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001402993972 902588056 /nfs/dbraw/zinc/58/80/56/902588056.db2.gz YSVIJAIZBNZVFO-GHMZBOCLSA-N 2 2 281.360 -0.498 20 0 CBADLP C[C@H](NC(=O)CCc1c[nH]c[nH+]1)[C@H](C)[NH2+]CC(=O)N(C)C ZINC001403021643 902596247 /nfs/dbraw/zinc/59/62/47/902596247.db2.gz QSAQRQYWTHBOQS-QWRGUYRKSA-N 2 2 295.387 -0.087 20 0 CBADLP C[C@H](NC(=O)CCc1c[nH+]c[nH]1)[C@H](C)[NH2+]CC(=O)N(C)C ZINC001403021643 902596256 /nfs/dbraw/zinc/59/62/56/902596256.db2.gz QSAQRQYWTHBOQS-QWRGUYRKSA-N 2 2 295.387 -0.087 20 0 CBADLP COC[C@@H](O)C[NH2+][C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001403078887 902607624 /nfs/dbraw/zinc/60/76/24/902607624.db2.gz YGLOBGTWLCVSPZ-ZJUUUORDSA-N 2 2 270.333 -0.946 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+](C)[C@@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001403133941 902627830 /nfs/dbraw/zinc/62/78/30/902627830.db2.gz DMEGCWRTALDEME-JQWIXIFHSA-N 2 2 295.387 -0.108 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+](C)[C@@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001403133941 902627837 /nfs/dbraw/zinc/62/78/37/902627837.db2.gz DMEGCWRTALDEME-JQWIXIFHSA-N 2 2 295.387 -0.108 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@H](C)CNC(=O)CCCn1cc[nH+]c1 ZINC001403142460 902628509 /nfs/dbraw/zinc/62/85/09/902628509.db2.gz QDNHJEUYZWABNY-NEPJUHHUSA-N 2 2 295.387 -0.108 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH+](C)CC(N)=O ZINC001403150909 902631297 /nfs/dbraw/zinc/63/12/97/902631297.db2.gz ZKOHJHXINCXCAL-QWRGUYRKSA-N 2 2 270.377 -0.608 20 0 CBADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+][C@@H](C)c1nncn1C ZINC001403149742 902631051 /nfs/dbraw/zinc/63/10/51/902631051.db2.gz WXZUJIJFCWEQHG-MNOVXSKESA-N 2 2 291.359 -0.133 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH+](C)CC(N)=O ZINC001403150909 902631308 /nfs/dbraw/zinc/63/13/08/902631308.db2.gz ZKOHJHXINCXCAL-QWRGUYRKSA-N 2 2 270.377 -0.608 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1CCCC[NH+]1C)[N@H+](C)CC(N)=O ZINC001403150909 902631315 /nfs/dbraw/zinc/63/13/15/902631315.db2.gz ZKOHJHXINCXCAL-QWRGUYRKSA-N 2 2 270.377 -0.608 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1CCCC[NH+]1C)[N@@H+](C)CC(N)=O ZINC001403150909 902631325 /nfs/dbraw/zinc/63/13/25/902631325.db2.gz ZKOHJHXINCXCAL-QWRGUYRKSA-N 2 2 270.377 -0.608 20 0 CBADLP CN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001403199571 902646909 /nfs/dbraw/zinc/64/69/09/902646909.db2.gz VJJGHMPBJGUGHR-JTQLQIEISA-N 2 2 279.344 -0.769 20 0 CBADLP CC[C@H](C(N)=O)[N@H+](C)[C@@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001403206933 902648121 /nfs/dbraw/zinc/64/81/21/902648121.db2.gz UXXIYVQGPBMOQW-CMPLNLGQSA-N 2 2 295.387 -0.108 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+](C)[C@@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001403206933 902648131 /nfs/dbraw/zinc/64/81/31/902648131.db2.gz UXXIYVQGPBMOQW-CMPLNLGQSA-N 2 2 295.387 -0.108 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+](C)[C@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001403207334 902648589 /nfs/dbraw/zinc/64/85/89/902648589.db2.gz UXXIYVQGPBMOQW-PWSUYJOCSA-N 2 2 295.387 -0.108 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+](C)[C@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001403207334 902648598 /nfs/dbraw/zinc/64/85/98/902648598.db2.gz UXXIYVQGPBMOQW-PWSUYJOCSA-N 2 2 295.387 -0.108 20 0 CBADLP CCNC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001403213861 902650424 /nfs/dbraw/zinc/65/04/24/902650424.db2.gz JQUILYNCTCIRKN-NSHDSACASA-N 2 2 293.371 -0.413 20 0 CBADLP C[N@@H+]1CCC[C@@H]1CCC(=O)NC1(CCO)C[NH+](CCO)C1 ZINC001403214610 902651148 /nfs/dbraw/zinc/65/11/48/902651148.db2.gz RNZJIFQGBMBLDM-CYBMUJFWSA-N 2 2 299.415 -0.594 20 0 CBADLP C[N@H+]1CCC[C@@H]1CCC(=O)NC1(CCO)C[NH+](CCO)C1 ZINC001403214610 902651157 /nfs/dbraw/zinc/65/11/57/902651157.db2.gz RNZJIFQGBMBLDM-CYBMUJFWSA-N 2 2 299.415 -0.594 20 0 CBADLP CC[C@H](C(=O)NC1(CCO)C[NH+](CCOC)C1)[NH+](C)C ZINC001403219986 902654603 /nfs/dbraw/zinc/65/46/03/902654603.db2.gz LQDPIFUUIOVSDC-GFCCVEGCSA-N 2 2 287.404 -0.474 20 0 CBADLP C[C@@H]([NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1)C(N)=O ZINC001403278492 902661738 /nfs/dbraw/zinc/66/17/38/902661738.db2.gz SIJGTCDRFHRKDY-MNOVXSKESA-N 2 2 293.371 -0.726 20 0 CBADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](CC(=O)NC)CC1(C)C)[NH+](C)C ZINC001403370576 902678015 /nfs/dbraw/zinc/67/80/15/902678015.db2.gz WCBWMZVYTZAJPT-VXGBXAGGSA-N 2 2 298.431 -0.101 20 0 CBADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)NC)CC1(C)C)[NH+](C)C ZINC001403370576 902678023 /nfs/dbraw/zinc/67/80/23/902678023.db2.gz WCBWMZVYTZAJPT-VXGBXAGGSA-N 2 2 298.431 -0.101 20 0 CBADLP CN(C)C(=O)C[N@H+](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001403567197 902734328 /nfs/dbraw/zinc/73/43/28/902734328.db2.gz OYNUFQYIJPTQOM-ZDUSSCGKSA-N 2 2 296.415 -0.536 20 0 CBADLP CN(C)C(=O)C[N@@H+](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001403567197 902734341 /nfs/dbraw/zinc/73/43/41/902734341.db2.gz OYNUFQYIJPTQOM-ZDUSSCGKSA-N 2 2 296.415 -0.536 20 0 CBADLP CCNC(=O)C[N@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001403595046 902743099 /nfs/dbraw/zinc/74/30/99/902743099.db2.gz WVHPDAXSUXYFEH-GFCCVEGCSA-N 2 2 284.404 -0.345 20 0 CBADLP CCNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001403595046 902743107 /nfs/dbraw/zinc/74/31/07/902743107.db2.gz WVHPDAXSUXYFEH-GFCCVEGCSA-N 2 2 284.404 -0.345 20 0 CBADLP CCNC(=O)C[NH+](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001403595046 902743113 /nfs/dbraw/zinc/74/31/13/902743113.db2.gz WVHPDAXSUXYFEH-GFCCVEGCSA-N 2 2 284.404 -0.345 20 0 CBADLP CCNC(=O)C[NH+](C)CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001403595046 902743119 /nfs/dbraw/zinc/74/31/19/902743119.db2.gz WVHPDAXSUXYFEH-GFCCVEGCSA-N 2 2 284.404 -0.345 20 0 CBADLP C[C@H](CN(C)C(=O)CCc1c[nH+]c[nH]1)[NH2+]CC(=O)N(C)C ZINC001403593297 902744402 /nfs/dbraw/zinc/74/44/02/902744402.db2.gz VFMKTOPDTGUAAT-LLVKDONJSA-N 2 2 295.387 -0.133 20 0 CBADLP C[C@H](CN(C)C(=O)CCc1c[nH]c[nH+]1)[NH2+]CC(=O)N(C)C ZINC001403593297 902744390 /nfs/dbraw/zinc/74/43/90/902744390.db2.gz VFMKTOPDTGUAAT-LLVKDONJSA-N 2 2 295.387 -0.133 20 0 CBADLP C[C@H](O)C[N@H+](C)CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001403612537 902753611 /nfs/dbraw/zinc/75/36/11/902753611.db2.gz KRXRBCVLQURNBJ-RYUDHWBXSA-N 2 2 280.372 -0.126 20 0 CBADLP C[C@H](O)C[N@@H+](C)CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001403612537 902753624 /nfs/dbraw/zinc/75/36/24/902753624.db2.gz KRXRBCVLQURNBJ-RYUDHWBXSA-N 2 2 280.372 -0.126 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@H](C)[NH2+]CC(=O)N(C)C ZINC001403629302 902757220 /nfs/dbraw/zinc/75/72/20/902757220.db2.gz LQHMZUDSYITJIR-JTQLQIEISA-N 2 2 295.387 -0.215 20 0 CBADLP Cc1nc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CCC[N@H+]2C)co1 ZINC001403662392 902783801 /nfs/dbraw/zinc/78/38/01/902783801.db2.gz ZKKOTUZYERJTCU-AAEUAGOBSA-N 2 2 296.371 -0.356 20 0 CBADLP Cc1nc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CCC[N@@H+]2C)co1 ZINC001403662392 902783813 /nfs/dbraw/zinc/78/38/13/902783813.db2.gz ZKKOTUZYERJTCU-AAEUAGOBSA-N 2 2 296.371 -0.356 20 0 CBADLP CC[NH2+][C@H](CO)CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001403703984 902813145 /nfs/dbraw/zinc/81/31/45/902813145.db2.gz JGXSGVHSIKOPMY-JSGCOSHPSA-N 2 2 299.415 -0.284 20 0 CBADLP CC[NH2+][C@H](CO)CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001403703984 902813148 /nfs/dbraw/zinc/81/31/48/902813148.db2.gz JGXSGVHSIKOPMY-JSGCOSHPSA-N 2 2 299.415 -0.284 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC[C@H](CO)[NH2+]CC1CCC1 ZINC001403730731 902828265 /nfs/dbraw/zinc/82/82/65/902828265.db2.gz QHRDDTMVCNQFQH-GFCCVEGCSA-N 2 2 280.372 -0.171 20 0 CBADLP CC(C)(C)[C@H](C[NH2+]CC(N)=O)NC(=O)Cn1cc[nH+]c1 ZINC001403961165 902915735 /nfs/dbraw/zinc/91/57/35/902915735.db2.gz UELVLBBXRZLJGC-JTQLQIEISA-N 2 2 281.360 -0.511 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)NC[C@H]1CCC[N@@H+]1CCO ZINC001404001872 902921668 /nfs/dbraw/zinc/92/16/68/902921668.db2.gz NBIILMBGGUPETA-GFCCVEGCSA-N 2 2 280.372 -0.074 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)NC[C@H]1CCC[N@H+]1CCO ZINC001404001872 902921676 /nfs/dbraw/zinc/92/16/76/902921676.db2.gz NBIILMBGGUPETA-GFCCVEGCSA-N 2 2 280.372 -0.074 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+]1CCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001404017893 902925351 /nfs/dbraw/zinc/92/53/51/902925351.db2.gz FSYJRZRAXGGWQN-NEPJUHHUSA-N 2 2 293.371 -0.272 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+]1CCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001404017893 902925357 /nfs/dbraw/zinc/92/53/57/902925357.db2.gz FSYJRZRAXGGWQN-NEPJUHHUSA-N 2 2 293.371 -0.272 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CCC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001404005782 902925991 /nfs/dbraw/zinc/92/59/91/902925991.db2.gz UFXTVQVXJROVMS-VXGBXAGGSA-N 2 2 293.371 -0.272 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CCC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001404005782 902926002 /nfs/dbraw/zinc/92/60/02/902926002.db2.gz UFXTVQVXJROVMS-VXGBXAGGSA-N 2 2 293.371 -0.272 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CCC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001404005777 902926819 /nfs/dbraw/zinc/92/68/19/902926819.db2.gz UFXTVQVXJROVMS-RYUDHWBXSA-N 2 2 293.371 -0.272 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CCC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001404005777 902926826 /nfs/dbraw/zinc/92/68/26/902926826.db2.gz UFXTVQVXJROVMS-RYUDHWBXSA-N 2 2 293.371 -0.272 20 0 CBADLP CNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001404091008 902940398 /nfs/dbraw/zinc/94/03/98/902940398.db2.gz LFSPZEWMQGFMOI-STQMWFEESA-N 2 2 296.415 -0.345 20 0 CBADLP CNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001404091008 902940413 /nfs/dbraw/zinc/94/04/13/902940413.db2.gz LFSPZEWMQGFMOI-STQMWFEESA-N 2 2 296.415 -0.345 20 0 CBADLP CNC(=O)C[NH+]1CCC[C@H]1CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001404091008 902940427 /nfs/dbraw/zinc/94/04/27/902940427.db2.gz LFSPZEWMQGFMOI-STQMWFEESA-N 2 2 296.415 -0.345 20 0 CBADLP CNC(=O)C[NH+]1CCC[C@H]1CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001404091008 902940442 /nfs/dbraw/zinc/94/04/42/902940442.db2.gz LFSPZEWMQGFMOI-STQMWFEESA-N 2 2 296.415 -0.345 20 0 CBADLP C[C@H]([NH2+]CCN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1)C(N)=O ZINC001404307053 902967743 /nfs/dbraw/zinc/96/77/43/902967743.db2.gz AGNWHGCUUWJAJR-WDEREUQCSA-N 2 2 293.371 -0.633 20 0 CBADLP CN(CC[NH2+][C@@H]1CCCN(C)C1=O)C(=O)Cc1c[nH+]c[nH]1 ZINC001404323991 902975022 /nfs/dbraw/zinc/97/50/22/902975022.db2.gz QUAKNGQXCLIPPN-GFCCVEGCSA-N 2 2 293.371 -0.379 20 0 CBADLP CNC(=O)C[NH+]1CC(CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001404899037 903052279 /nfs/dbraw/zinc/05/22/79/903052279.db2.gz AYUQABPWSZIRAC-UHFFFAOYSA-N 2 2 298.431 -0.242 20 0 CBADLP CNC(=O)C[NH+]1CC(CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001404899037 903052286 /nfs/dbraw/zinc/05/22/86/903052286.db2.gz AYUQABPWSZIRAC-UHFFFAOYSA-N 2 2 298.431 -0.242 20 0 CBADLP CCC[N@H+](C)CC(=O)NCC1C[NH+]([C@H](C)C(=O)NC)C1 ZINC001404916494 903055994 /nfs/dbraw/zinc/05/59/94/903055994.db2.gz ALYLZKNEFVFVPW-LLVKDONJSA-N 2 2 284.404 -0.489 20 0 CBADLP CCC[N@@H+](C)CC(=O)NCC1C[NH+]([C@H](C)C(=O)NC)C1 ZINC001404916494 903056010 /nfs/dbraw/zinc/05/60/10/903056010.db2.gz ALYLZKNEFVFVPW-LLVKDONJSA-N 2 2 284.404 -0.489 20 0 CBADLP CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001405056942 903079019 /nfs/dbraw/zinc/07/90/19/903079019.db2.gz GFHOHBAKXZINAF-GFCCVEGCSA-N 2 2 293.371 -0.482 20 0 CBADLP CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001405056942 903079028 /nfs/dbraw/zinc/07/90/28/903079028.db2.gz GFHOHBAKXZINAF-GFCCVEGCSA-N 2 2 293.371 -0.482 20 0 CBADLP C[C@@H]([NH2+]C[C@](C)(NC(=O)Cc1[nH]cc[nH+]1)C1CC1)C(N)=O ZINC001405500120 903171845 /nfs/dbraw/zinc/17/18/45/903171845.db2.gz JLVFLCRQAUQKCG-OTYXRUKQSA-N 2 2 293.371 -0.300 20 0 CBADLP CC[C@@H]([NH2+]C[C@H](C)N(C)C(=O)Cc1c[nH+]cn1C)C(N)=O ZINC001405875451 903240250 /nfs/dbraw/zinc/24/02/50/903240250.db2.gz UPALCVUVWUQQIA-CMPLNLGQSA-N 2 2 295.387 -0.337 20 0 CBADLP CC[C@@H]([NH2+]C[C@@H](C)N(C)C(=O)Cc1c[nH+]cn1C)C(N)=O ZINC001405875458 903243256 /nfs/dbraw/zinc/24/32/56/903243256.db2.gz UPALCVUVWUQQIA-ZYHUDNBSSA-N 2 2 295.387 -0.337 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@H](CNC(=O)Cc1[nH]cc[nH+]1)C(C)C ZINC001406078620 903264440 /nfs/dbraw/zinc/26/44/40/903264440.db2.gz XVIFMNKUHHDYNC-WDEREUQCSA-N 2 2 295.387 -0.183 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+](C)CCN(C)C(=O)Cn1c[nH+]cc1C ZINC001406115497 903271784 /nfs/dbraw/zinc/27/17/84/903271784.db2.gz NBMQYJPMJJCGNW-GFCCVEGCSA-N 2 2 295.387 -0.284 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+](C)CCN(C)C(=O)Cn1c[nH+]cc1C ZINC001406115497 903271792 /nfs/dbraw/zinc/27/17/92/903271792.db2.gz NBMQYJPMJJCGNW-GFCCVEGCSA-N 2 2 295.387 -0.284 20 0 CBADLP CN(CC[N@H+](C)CCn1cncn1)C(=O)Cc1[nH]cc[nH+]1 ZINC001406157515 903279956 /nfs/dbraw/zinc/27/99/56/903279956.db2.gz UMGDJZDCGSFQLZ-UHFFFAOYSA-N 2 2 291.359 -0.366 20 0 CBADLP CN(CC[N@@H+](C)CCn1cncn1)C(=O)Cc1[nH]cc[nH+]1 ZINC001406157515 903279969 /nfs/dbraw/zinc/27/99/69/903279969.db2.gz UMGDJZDCGSFQLZ-UHFFFAOYSA-N 2 2 291.359 -0.366 20 0 CBADLP CN(CC[N@H+](C)CC(=O)NC1CC1)C(=O)[C@H]1CC[NH+](C)C1 ZINC001406173291 903284149 /nfs/dbraw/zinc/28/41/49/903284149.db2.gz ZHEMCEAXJKPGQR-LBPRGKRZSA-N 2 2 296.415 -0.393 20 0 CBADLP CN(CC[N@@H+](C)CC(=O)NC1CC1)C(=O)[C@H]1CC[NH+](C)C1 ZINC001406173291 903284159 /nfs/dbraw/zinc/28/41/59/903284159.db2.gz ZHEMCEAXJKPGQR-LBPRGKRZSA-N 2 2 296.415 -0.393 20 0 CBADLP CN(CC[NH+](C)CC(=O)NC1CC1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001406173291 903284167 /nfs/dbraw/zinc/28/41/67/903284167.db2.gz ZHEMCEAXJKPGQR-LBPRGKRZSA-N 2 2 296.415 -0.393 20 0 CBADLP CN(CC[NH+](C)CC(=O)NC1CC1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001406173291 903284178 /nfs/dbraw/zinc/28/41/78/903284178.db2.gz ZHEMCEAXJKPGQR-LBPRGKRZSA-N 2 2 296.415 -0.393 20 0 CBADLP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)CC[NH+](C)CC(N)=O ZINC001406179384 903286809 /nfs/dbraw/zinc/28/68/09/903286809.db2.gz WMUZZAZAYJMNMN-TXEJJXNPSA-N 2 2 284.404 -0.265 20 0 CBADLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(C)CC[NH+](C)CC(N)=O ZINC001406179384 903286830 /nfs/dbraw/zinc/28/68/30/903286830.db2.gz WMUZZAZAYJMNMN-TXEJJXNPSA-N 2 2 284.404 -0.265 20 0 CBADLP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N(C)CC[N@H+](C)CC(N)=O ZINC001406179384 903286839 /nfs/dbraw/zinc/28/68/39/903286839.db2.gz WMUZZAZAYJMNMN-TXEJJXNPSA-N 2 2 284.404 -0.265 20 0 CBADLP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N(C)CC[N@@H+](C)CC(N)=O ZINC001406179384 903286851 /nfs/dbraw/zinc/28/68/51/903286851.db2.gz WMUZZAZAYJMNMN-TXEJJXNPSA-N 2 2 284.404 -0.265 20 0 CBADLP C[N@@H+]1CC[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2cnsn2)C1 ZINC001406301386 903347910 /nfs/dbraw/zinc/34/79/10/903347910.db2.gz ZYYWKUPQPSSASE-MWLCHTKSSA-N 2 2 299.400 -0.944 20 0 CBADLP C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2cnsn2)C1 ZINC001406301386 903347916 /nfs/dbraw/zinc/34/79/16/903347916.db2.gz ZYYWKUPQPSSASE-MWLCHTKSSA-N 2 2 299.400 -0.944 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[NH2+]Cc1cnn(C)n1 ZINC001406375870 903379984 /nfs/dbraw/zinc/37/99/84/903379984.db2.gz CKJQEYFZZZBALJ-SNVBAGLBSA-N 2 2 291.359 -0.385 20 0 CBADLP C[C@H](C[NH2+][C@H]1CCN(C)C1=O)NC(=O)Cc1[nH]cc[nH+]1 ZINC001406416548 903397404 /nfs/dbraw/zinc/39/74/04/903397404.db2.gz ZLSUGQHMGMLZGS-ZJUUUORDSA-N 2 2 279.344 -0.723 20 0 CBADLP CCN(C)C(=O)C[NH2+]C[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001406520298 903422110 /nfs/dbraw/zinc/42/21/10/903422110.db2.gz VLDHEWSDYKWFHR-LBPRGKRZSA-N 2 2 295.387 -0.154 20 0 CBADLP C[C@H](C[N@H+](C)[C@H](C)C(N)=O)NC(=O)Cc1c[nH+]cn1C ZINC001406697247 903467427 /nfs/dbraw/zinc/46/74/27/903467427.db2.gz PVJXKTYGWFPMFD-NXEZZACHSA-N 2 2 281.360 -0.727 20 0 CBADLP C[C@H](C[N@@H+](C)[C@H](C)C(N)=O)NC(=O)Cc1c[nH+]cn1C ZINC001406697247 903467434 /nfs/dbraw/zinc/46/74/34/903467434.db2.gz PVJXKTYGWFPMFD-NXEZZACHSA-N 2 2 281.360 -0.727 20 0 CBADLP NC(=O)C[NH2+]C[C@@H](NC(=O)CCn1cc[nH+]c1)C1CC1 ZINC001406765554 903475050 /nfs/dbraw/zinc/47/50/50/903475050.db2.gz BBJGHFQWSACYPD-LLVKDONJSA-N 2 2 279.344 -0.757 20 0 CBADLP C[C@H](CC(=O)N[C@H](C[NH2+]CC(N)=O)C1CC1)n1cc[nH+]c1 ZINC001406785286 903479890 /nfs/dbraw/zinc/47/98/90/903479890.db2.gz ROEMLAZCGFUZAG-ZYHUDNBSSA-N 2 2 293.371 -0.196 20 0 CBADLP CN1CC[C@@H]([N@@H+]2CC[C@H]2CNC(=O)CCC[NH+](C)C)C1=O ZINC001406861036 903494520 /nfs/dbraw/zinc/49/45/20/903494520.db2.gz NPZROHKWGHDMCQ-QWHCGFSZSA-N 2 2 296.415 -0.251 20 0 CBADLP CN1CC[C@@H]([N@H+]2CC[C@H]2CNC(=O)CCC[NH+](C)C)C1=O ZINC001406861036 903494534 /nfs/dbraw/zinc/49/45/34/903494534.db2.gz NPZROHKWGHDMCQ-QWHCGFSZSA-N 2 2 296.415 -0.251 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CC[NH+]1[C@@H]1CCCNC1=O ZINC001406898764 903505813 /nfs/dbraw/zinc/50/58/13/903505813.db2.gz LHOXSZUBZZYVBU-QWHCGFSZSA-N 2 2 296.415 -0.204 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CC[NH+]1[C@@H]1CCCNC1=O ZINC001406898764 903505825 /nfs/dbraw/zinc/50/58/25/903505825.db2.gz LHOXSZUBZZYVBU-QWHCGFSZSA-N 2 2 296.415 -0.204 20 0 CBADLP CC(C)[NH+](C)CC(=O)NC[C@@H]1CC[N@@H+]1[C@@H]1CCCNC1=O ZINC001406898764 903505835 /nfs/dbraw/zinc/50/58/35/903505835.db2.gz LHOXSZUBZZYVBU-QWHCGFSZSA-N 2 2 296.415 -0.204 20 0 CBADLP CC(C)[NH+](C)CC(=O)NC[C@@H]1CC[N@H+]1[C@@H]1CCCNC1=O ZINC001406898764 903505846 /nfs/dbraw/zinc/50/58/46/903505846.db2.gz LHOXSZUBZZYVBU-QWHCGFSZSA-N 2 2 296.415 -0.204 20 0 CBADLP C[C@@H]([NH2+]C1(CNC(=O)CCc2[nH+]ccn2C)CC1)C(N)=O ZINC001406950418 903517289 /nfs/dbraw/zinc/51/72/89/903517289.db2.gz LCAAHJZWFMZVNE-SNVBAGLBSA-N 2 2 293.371 -0.535 20 0 CBADLP CC[C@H]([NH2+]C1(CNC(=O)CCn2cc[nH+]c2)CC1)C(N)=O ZINC001406962614 903518964 /nfs/dbraw/zinc/51/89/64/903518964.db2.gz XRJBRMNOWSETOO-NSHDSACASA-N 2 2 293.371 -0.225 20 0 CBADLP C[C@@H]([NH2+]C1(CNC(=O)CCc2c[nH+]cn2C)CC1)C(N)=O ZINC001406987411 903523780 /nfs/dbraw/zinc/52/37/80/903523780.db2.gz DROBROIHDSKTML-SNVBAGLBSA-N 2 2 293.371 -0.535 20 0 CBADLP C[C@H]([NH2+]C1(CNC(=O)CCc2c[nH+]cn2C)CC1)C(N)=O ZINC001406987409 903524157 /nfs/dbraw/zinc/52/41/57/903524157.db2.gz DROBROIHDSKTML-JTQLQIEISA-N 2 2 293.371 -0.535 20 0 CBADLP CN(C)C(=O)C[N@@H+]1CC[C@](C)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001407221086 903555400 /nfs/dbraw/zinc/55/54/00/903555400.db2.gz XNVQYXIGIFRXBN-AWEZNQCLSA-N 2 2 293.371 -0.448 20 0 CBADLP CN(C)C(=O)C[N@H+]1CC[C@](C)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001407221086 903555412 /nfs/dbraw/zinc/55/54/12/903555412.db2.gz XNVQYXIGIFRXBN-AWEZNQCLSA-N 2 2 293.371 -0.448 20 0 CBADLP COC[C@@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001407349985 903575018 /nfs/dbraw/zinc/57/50/18/903575018.db2.gz JOZXAFVXMXWBCH-BXUZGUMPSA-N 2 2 296.371 -0.460 20 0 CBADLP COC[C@@H](C)[N@H+]1CC[C@@](O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001407349985 903575028 /nfs/dbraw/zinc/57/50/28/903575028.db2.gz JOZXAFVXMXWBCH-BXUZGUMPSA-N 2 2 296.371 -0.460 20 0 CBADLP CO[C@H](C)C[NH+]1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001407509047 903622285 /nfs/dbraw/zinc/62/22/85/903622285.db2.gz CYAHNAPYRFDNJE-JHJVBQTASA-N 2 2 299.415 -0.476 20 0 CBADLP CO[C@H](C)C[NH+]1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001407509047 903622292 /nfs/dbraw/zinc/62/22/92/903622292.db2.gz CYAHNAPYRFDNJE-JHJVBQTASA-N 2 2 299.415 -0.476 20 0 CBADLP C[C@@H]([NH2+]CC[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1)C(N)=O ZINC001407697844 903646549 /nfs/dbraw/zinc/64/65/49/903646549.db2.gz NWHLKZBVOBFZPG-VXGBXAGGSA-N 2 2 293.371 -0.415 20 0 CBADLP C[C@H]([NH2+]CC[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1)C(N)=O ZINC001407697842 903647425 /nfs/dbraw/zinc/64/74/25/903647425.db2.gz NWHLKZBVOBFZPG-RYUDHWBXSA-N 2 2 293.371 -0.415 20 0 CBADLP CC[N@H+](C)CCC(=O)NC[C@H]1COCC[NH+]1C[C@@H](C)O ZINC001407743089 903652061 /nfs/dbraw/zinc/65/20/61/903652061.db2.gz DPXKTZQYYKKQEB-OLZOCXBDSA-N 2 2 287.404 -0.474 20 0 CBADLP CC[N@@H+](C)CCC(=O)NC[C@H]1COCC[NH+]1C[C@@H](C)O ZINC001407743089 903652072 /nfs/dbraw/zinc/65/20/72/903652072.db2.gz DPXKTZQYYKKQEB-OLZOCXBDSA-N 2 2 287.404 -0.474 20 0 CBADLP CC[NH+](C)CCC(=O)NC[C@H]1COCC[N@@H+]1C[C@@H](C)O ZINC001407743089 903652077 /nfs/dbraw/zinc/65/20/77/903652077.db2.gz DPXKTZQYYKKQEB-OLZOCXBDSA-N 2 2 287.404 -0.474 20 0 CBADLP CC[NH+](C)CCC(=O)NC[C@H]1COCC[N@H+]1C[C@@H](C)O ZINC001407743089 903652081 /nfs/dbraw/zinc/65/20/81/903652081.db2.gz DPXKTZQYYKKQEB-OLZOCXBDSA-N 2 2 287.404 -0.474 20 0 CBADLP C[C@@H](C(N)=O)[N@H+](C)CCCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001407922348 903681192 /nfs/dbraw/zinc/68/11/92/903681192.db2.gz MUHFMZPFTQODET-JTQLQIEISA-N 2 2 281.360 -0.394 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+](C)CCCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001407922348 903681203 /nfs/dbraw/zinc/68/12/03/903681203.db2.gz MUHFMZPFTQODET-JTQLQIEISA-N 2 2 281.360 -0.394 20 0 CBADLP O=C(CCn1cc[nH+]c1)N1CCC[C@@](CO)([NH2+]CCO)C1 ZINC001408038442 903695197 /nfs/dbraw/zinc/69/51/97/903695197.db2.gz MTDJOMRUXYSNBC-CQSZACIVSA-N 2 2 296.371 -0.791 20 0 CBADLP CN(CCNC(=O)Cn1cc[nH+]c1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001408613008 903793223 /nfs/dbraw/zinc/79/32/23/903793223.db2.gz QYQXPHCWAVQKDU-LBPRGKRZSA-N 2 2 293.371 -0.448 20 0 CBADLP CN(CCNC(=O)Cn1cc[nH+]c1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001408613008 903793235 /nfs/dbraw/zinc/79/32/35/903793235.db2.gz QYQXPHCWAVQKDU-LBPRGKRZSA-N 2 2 293.371 -0.448 20 0 CBADLP C[NH+](C)CCC(=O)N1CC(NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001409067083 903843827 /nfs/dbraw/zinc/84/38/27/903843827.db2.gz XFYDTWULJSWBFE-UHFFFAOYSA-N 2 2 293.371 -0.379 20 0 CBADLP C[NH+](C)CCC(=O)N1CC(NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001409067083 903843840 /nfs/dbraw/zinc/84/38/40/903843840.db2.gz XFYDTWULJSWBFE-UHFFFAOYSA-N 2 2 293.371 -0.379 20 0 CBADLP CC[C@@H]([NH2+]CC1CC(NC(=O)Cc2c[nH]c[nH+]2)C1)C(N)=O ZINC001409264922 903874280 /nfs/dbraw/zinc/87/42/80/903874280.db2.gz AKJUPPNVSORBKT-RTYFJBAXSA-N 2 2 293.371 -0.300 20 0 CBADLP COC[C@@]1(CO)CC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC001460108062 914758432 /nfs/dbraw/zinc/75/84/32/914758432.db2.gz GTOJJFHRQJQFHC-KBPBESRZSA-N 2 2 272.389 -0.228 20 0 CBADLP COC[C@@]1(CO)CC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC001460108062 914758446 /nfs/dbraw/zinc/75/84/46/914758446.db2.gz GTOJJFHRQJQFHC-KBPBESRZSA-N 2 2 272.389 -0.228 20 0 CBADLP COC[C@@]1(CO)CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC001460108062 914758461 /nfs/dbraw/zinc/75/84/61/914758461.db2.gz GTOJJFHRQJQFHC-KBPBESRZSA-N 2 2 272.389 -0.228 20 0 CBADLP COC[C@@]1(CO)CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC001460108062 914758472 /nfs/dbraw/zinc/75/84/72/914758472.db2.gz GTOJJFHRQJQFHC-KBPBESRZSA-N 2 2 272.389 -0.228 20 0 CBADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)CC(N)=O ZINC001409556189 903926833 /nfs/dbraw/zinc/92/68/33/903926833.db2.gz NJFRFNPTURHABS-NWDGAFQWSA-N 2 2 284.404 -0.219 20 0 CBADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)CC(N)=O ZINC001409556189 903926846 /nfs/dbraw/zinc/92/68/46/903926846.db2.gz NJFRFNPTURHABS-NWDGAFQWSA-N 2 2 284.404 -0.219 20 0 CBADLP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H](C)[N@H+](C)CC(N)=O ZINC001409556189 903926857 /nfs/dbraw/zinc/92/68/57/903926857.db2.gz NJFRFNPTURHABS-NWDGAFQWSA-N 2 2 284.404 -0.219 20 0 CBADLP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H](C)[N@@H+](C)CC(N)=O ZINC001409556189 903926869 /nfs/dbraw/zinc/92/68/69/903926869.db2.gz NJFRFNPTURHABS-NWDGAFQWSA-N 2 2 284.404 -0.219 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH+](C)CC(=O)N(C)C ZINC001409572761 903929603 /nfs/dbraw/zinc/92/96/03/903929603.db2.gz BNTNOPADFDQVRL-OLZOCXBDSA-N 2 2 298.431 -0.005 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH+](C)CC(=O)N(C)C ZINC001409572761 903929613 /nfs/dbraw/zinc/92/96/13/903929613.db2.gz BNTNOPADFDQVRL-OLZOCXBDSA-N 2 2 298.431 -0.005 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1CCCC[NH+]1C)[N@H+](C)CC(=O)N(C)C ZINC001409572761 903929626 /nfs/dbraw/zinc/92/96/26/903929626.db2.gz BNTNOPADFDQVRL-OLZOCXBDSA-N 2 2 298.431 -0.005 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1CCCC[NH+]1C)[N@@H+](C)CC(=O)N(C)C ZINC001409572761 903929647 /nfs/dbraw/zinc/92/96/47/903929647.db2.gz BNTNOPADFDQVRL-OLZOCXBDSA-N 2 2 298.431 -0.005 20 0 CBADLP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH+](C)CC(=O)N(C)C ZINC001409572753 903933150 /nfs/dbraw/zinc/93/31/50/903933150.db2.gz BNTNOPADFDQVRL-CHWSQXEVSA-N 2 2 298.431 -0.005 20 0 CBADLP C[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)[NH+](C)CC(=O)N(C)C ZINC001409572753 903933159 /nfs/dbraw/zinc/93/31/59/903933159.db2.gz BNTNOPADFDQVRL-CHWSQXEVSA-N 2 2 298.431 -0.005 20 0 CBADLP C[C@H](CNC(=O)[C@H]1CCCC[NH+]1C)[N@H+](C)CC(=O)N(C)C ZINC001409572753 903933170 /nfs/dbraw/zinc/93/31/70/903933170.db2.gz BNTNOPADFDQVRL-CHWSQXEVSA-N 2 2 298.431 -0.005 20 0 CBADLP C[C@H](CNC(=O)[C@H]1CCCC[NH+]1C)[N@@H+](C)CC(=O)N(C)C ZINC001409572753 903933182 /nfs/dbraw/zinc/93/31/82/903933182.db2.gz BNTNOPADFDQVRL-CHWSQXEVSA-N 2 2 298.431 -0.005 20 0 CBADLP CNC(=O)C[NH+]1CC([C@H](C)NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001409929004 903984807 /nfs/dbraw/zinc/98/48/07/903984807.db2.gz PVYNIOLVFNOKKM-NSHDSACASA-N 2 2 296.415 -0.347 20 0 CBADLP C[C@@H](NC(=O)Cc1c[nH+]cn1C)C1C[NH+](CCCO)C1 ZINC001409965395 903988254 /nfs/dbraw/zinc/98/82/54/903988254.db2.gz NNBHKDDMCNKUOX-LLVKDONJSA-N 2 2 280.372 -0.219 20 0 CBADLP C[C@H](O)[C@@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)CCO1 ZINC001460231114 914773987 /nfs/dbraw/zinc/77/39/87/914773987.db2.gz IKHAWUKQNMFBDA-STQMWFEESA-N 2 2 285.388 -0.768 20 0 CBADLP C[C@H](O)[C@@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)CCO1 ZINC001460231114 914774002 /nfs/dbraw/zinc/77/40/02/914774002.db2.gz IKHAWUKQNMFBDA-STQMWFEESA-N 2 2 285.388 -0.768 20 0 CBADLP C[C@@H](CN(C)C(=O)C[C@H](C)n1cc[nH+]c1)[NH2+]CC(N)=O ZINC001410445097 904101188 /nfs/dbraw/zinc/10/11/88/904101188.db2.gz FQLXUPPTEDUKSZ-QWRGUYRKSA-N 2 2 281.360 -0.244 20 0 CBADLP CCCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001410458113 904102291 /nfs/dbraw/zinc/10/22/91/904102291.db2.gz ZDUMVGKRLTXIFX-LLVKDONJSA-N 2 2 295.387 -0.085 20 0 CBADLP C[C@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+][C@H](C)C(=O)N(C)C ZINC001410527010 904113042 /nfs/dbraw/zinc/11/30/42/904113042.db2.gz HQWBLCHCFBEVCA-VXGBXAGGSA-N 2 2 295.387 -0.204 20 0 CBADLP C[C@@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+][C@@H](C)C(=O)N(C)C ZINC001410526994 904113091 /nfs/dbraw/zinc/11/30/91/904113091.db2.gz HQWBLCHCFBEVCA-RYUDHWBXSA-N 2 2 295.387 -0.204 20 0 CBADLP CO[C@H](C)C[NH2+][C@H](CO)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001410720512 904171016 /nfs/dbraw/zinc/17/10/16/904171016.db2.gz HELUZVVLWVDGDL-KOLCDFICSA-N 2 2 270.333 -0.946 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@H](CO)[NH2+]C[C@H]1CCOC1 ZINC001410725917 904172719 /nfs/dbraw/zinc/17/27/19/904172719.db2.gz NZEBDNUQSKSBKL-PWSUYJOCSA-N 2 2 282.344 -0.945 20 0 CBADLP NC(=O)C[NH2+]C[C@H]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001410928909 904207864 /nfs/dbraw/zinc/20/78/64/904207864.db2.gz AOGILTOTRCBZBP-VHSXEESVSA-N 2 2 279.344 -0.688 20 0 CBADLP CC(C)(C)[C@H](C[NH2+]CC(N)=O)NC(=O)Cc1[nH]cc[nH+]1 ZINC001411219647 904267070 /nfs/dbraw/zinc/26/70/70/904267070.db2.gz WGVJCNPFQZTORC-VIFPVBQESA-N 2 2 281.360 -0.442 20 0 CBADLP C[C@@H](CC[NH+](C)C)C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001411768908 904353600 /nfs/dbraw/zinc/35/36/00/904353600.db2.gz QOLNKBAATBLUJZ-NWDGAFQWSA-N 2 2 284.404 -0.360 20 0 CBADLP C[C@@H](CC[NH+](C)C)C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001411768908 904353615 /nfs/dbraw/zinc/35/36/15/904353615.db2.gz QOLNKBAATBLUJZ-NWDGAFQWSA-N 2 2 284.404 -0.360 20 0 CBADLP C[NH+](C)C1(C(=O)N[C@H]2CCC[N@H+](CC(N)=O)C2)CCCC1 ZINC001411773133 904354498 /nfs/dbraw/zinc/35/44/98/904354498.db2.gz WKTNXBVKCPETQN-LBPRGKRZSA-N 2 2 296.415 -0.073 20 0 CBADLP C[NH+](C)C1(C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)C2)CCCC1 ZINC001411773133 904354516 /nfs/dbraw/zinc/35/45/16/904354516.db2.gz WKTNXBVKCPETQN-LBPRGKRZSA-N 2 2 296.415 -0.073 20 0 CBADLP CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001412539227 904614481 /nfs/dbraw/zinc/61/44/81/904614481.db2.gz HKJMQMWHXXUPRA-JLLWLGSASA-N 2 2 293.371 -0.477 20 0 CBADLP CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001412539227 904614485 /nfs/dbraw/zinc/61/44/85/904614485.db2.gz HKJMQMWHXXUPRA-JLLWLGSASA-N 2 2 293.371 -0.477 20 0 CBADLP CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001412539227 904614490 /nfs/dbraw/zinc/61/44/90/904614490.db2.gz HKJMQMWHXXUPRA-JLLWLGSASA-N 2 2 293.371 -0.477 20 0 CBADLP CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001412539227 904614494 /nfs/dbraw/zinc/61/44/94/904614494.db2.gz HKJMQMWHXXUPRA-JLLWLGSASA-N 2 2 293.371 -0.477 20 0 CBADLP CC(C)(O)[C@H](O)C[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC001412958801 904823748 /nfs/dbraw/zinc/82/37/48/904823748.db2.gz JOCNKFBJPFCZOD-CHWSQXEVSA-N 2 2 299.415 -0.468 20 0 CBADLP CC(C)(O)[C@H](O)C[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC001412958801 904823769 /nfs/dbraw/zinc/82/37/69/904823769.db2.gz JOCNKFBJPFCZOD-CHWSQXEVSA-N 2 2 299.415 -0.468 20 0 CBADLP O=C(CC[NH+]1CCOCC1)N1CC[N@@H+]2C[C@@H](F)C[C@H]2C1 ZINC001413011938 904867738 /nfs/dbraw/zinc/86/77/38/904867738.db2.gz SHEANMVRFZCWAG-STQMWFEESA-N 2 2 285.363 -0.037 20 0 CBADLP O=C(CC[NH+]1CCOCC1)N1CC[N@H+]2C[C@@H](F)C[C@H]2C1 ZINC001413011938 904867747 /nfs/dbraw/zinc/86/77/47/904867747.db2.gz SHEANMVRFZCWAG-STQMWFEESA-N 2 2 285.363 -0.037 20 0 CBADLP Cn1cc(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)cn1 ZINC001413121564 904926572 /nfs/dbraw/zinc/92/65/72/904926572.db2.gz FQLQVQNONGFADZ-HNNXBMFYSA-N 2 2 293.415 -0.084 20 0 CBADLP C[NH+](C)CCC(=O)N[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001414797896 905515629 /nfs/dbraw/zinc/51/56/29/905515629.db2.gz XSOGKSUYNSRNQL-NSHDSACASA-N 2 2 293.371 -0.379 20 0 CBADLP CNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001417802907 906057275 /nfs/dbraw/zinc/05/72/75/906057275.db2.gz VSDVUCMEGUNBQA-MGCOHNPYSA-N 2 2 279.344 -0.817 20 0 CBADLP O=C(NC[C@@H]([NH2+]CCO)C1CC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001417987355 906132260 /nfs/dbraw/zinc/13/22/60/906132260.db2.gz YUIOENRLQLYHIL-CHWSQXEVSA-N 2 2 292.383 -0.078 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001418063768 906155397 /nfs/dbraw/zinc/15/53/97/906155397.db2.gz MONDIIAWAAUJNL-IJLUTSLNSA-N 2 2 293.371 -0.356 20 0 CBADLP Cc1ncc(C[NH2+][C@@H](C)CNC(=O)[C@H]2C[N@H+](C)CCO2)o1 ZINC001418209795 906207233 /nfs/dbraw/zinc/20/72/33/906207233.db2.gz NHHQYKXOEUNKMP-GXFFZTMASA-N 2 2 296.371 -0.092 20 0 CBADLP Cc1ncc(C[NH2+][C@@H](C)CNC(=O)[C@H]2C[N@@H+](C)CCO2)o1 ZINC001418209795 906207252 /nfs/dbraw/zinc/20/72/52/906207252.db2.gz NHHQYKXOEUNKMP-GXFFZTMASA-N 2 2 296.371 -0.092 20 0 CBADLP Cc1ncc(C[NH2+][C@H](C)CNC(=O)[C@@H]2C[N@H+](C)CCO2)o1 ZINC001418209799 906208395 /nfs/dbraw/zinc/20/83/95/906208395.db2.gz NHHQYKXOEUNKMP-MFKMUULPSA-N 2 2 296.371 -0.092 20 0 CBADLP Cc1ncc(C[NH2+][C@H](C)CNC(=O)[C@@H]2C[N@@H+](C)CCO2)o1 ZINC001418209799 906208413 /nfs/dbraw/zinc/20/84/13/906208413.db2.gz NHHQYKXOEUNKMP-MFKMUULPSA-N 2 2 296.371 -0.092 20 0 CBADLP C[C@@H]([NH2+][C@@H](C)CNC(=O)CCc1[nH+]ccn1C)C(N)=O ZINC001418260949 906241237 /nfs/dbraw/zinc/24/12/37/906241237.db2.gz GYTPQGZMQRUOKK-VHSXEESVSA-N 2 2 281.360 -0.679 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]Cc1nncn1C ZINC001418272921 906253793 /nfs/dbraw/zinc/25/37/93/906253793.db2.gz XBMWQPHBVQKUMS-NEPJUHHUSA-N 2 2 294.403 -0.106 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]Cc1nncn1C ZINC001418272921 906253809 /nfs/dbraw/zinc/25/38/09/906253809.db2.gz XBMWQPHBVQKUMS-NEPJUHHUSA-N 2 2 294.403 -0.106 20 0 CBADLP CCCNC(=O)C[NH2+][C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001418291592 906262672 /nfs/dbraw/zinc/26/26/72/906262672.db2.gz NCJZRXQNTSEKHI-SNVBAGLBSA-N 2 2 281.360 -0.427 20 0 CBADLP C[C@H](CNC(=O)CCCn1cc[nH+]c1)[NH2+]CC(=O)N(C)C ZINC001418323959 906279952 /nfs/dbraw/zinc/27/99/52/906279952.db2.gz LOWVYIHYTCWADI-GFCCVEGCSA-N 2 2 295.387 -0.154 20 0 CBADLP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[NH+](C)CC(=O)NC)C1 ZINC001418489309 906362783 /nfs/dbraw/zinc/36/27/83/906362783.db2.gz VOTYCNJOYPUOQB-CYBMUJFWSA-N 2 2 298.431 -0.098 20 0 CBADLP CCC[N@H+]1CCC[C@@H](C(=O)NCC[NH+](C)CC(=O)NC)C1 ZINC001418489309 906362799 /nfs/dbraw/zinc/36/27/99/906362799.db2.gz VOTYCNJOYPUOQB-CYBMUJFWSA-N 2 2 298.431 -0.098 20 0 CBADLP CCC[NH+]1CCC[C@@H](C(=O)NCC[N@H+](C)CC(=O)NC)C1 ZINC001418489309 906362817 /nfs/dbraw/zinc/36/28/17/906362817.db2.gz VOTYCNJOYPUOQB-CYBMUJFWSA-N 2 2 298.431 -0.098 20 0 CBADLP CCC[NH+]1CCC[C@@H](C(=O)NCC[N@@H+](C)CC(=O)NC)C1 ZINC001418489309 906362837 /nfs/dbraw/zinc/36/28/37/906362837.db2.gz VOTYCNJOYPUOQB-CYBMUJFWSA-N 2 2 298.431 -0.098 20 0 CBADLP C[C@H](C(=O)N(C)C)[N@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001418488300 906365931 /nfs/dbraw/zinc/36/59/31/906365931.db2.gz CPYMLELLTAHMCK-OLZOCXBDSA-N 2 2 298.431 -0.005 20 0 CBADLP C[C@H](C(=O)N(C)C)[N@@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001418488300 906365937 /nfs/dbraw/zinc/36/59/37/906365937.db2.gz CPYMLELLTAHMCK-OLZOCXBDSA-N 2 2 298.431 -0.005 20 0 CBADLP C[C@H](C(=O)N(C)C)[NH+](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001418488300 906365953 /nfs/dbraw/zinc/36/59/53/906365953.db2.gz CPYMLELLTAHMCK-OLZOCXBDSA-N 2 2 298.431 -0.005 20 0 CBADLP C[C@H](C(=O)N(C)C)[NH+](C)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001418488300 906365967 /nfs/dbraw/zinc/36/59/67/906365967.db2.gz CPYMLELLTAHMCK-OLZOCXBDSA-N 2 2 298.431 -0.005 20 0 CBADLP CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CCC[NH+](C)C ZINC001418588022 906418968 /nfs/dbraw/zinc/41/89/68/906418968.db2.gz ISINKSNROCFLFQ-CYBMUJFWSA-N 2 2 298.431 -0.003 20 0 CBADLP CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CCC[NH+](C)C ZINC001418588022 906418976 /nfs/dbraw/zinc/41/89/76/906418976.db2.gz ISINKSNROCFLFQ-CYBMUJFWSA-N 2 2 298.431 -0.003 20 0 CBADLP CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)CCC[NH+](C)C ZINC001418588025 906421234 /nfs/dbraw/zinc/42/12/34/906421234.db2.gz ISINKSNROCFLFQ-ZDUSSCGKSA-N 2 2 298.431 -0.003 20 0 CBADLP CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)CCC[NH+](C)C ZINC001418588025 906421237 /nfs/dbraw/zinc/42/12/37/906421237.db2.gz ISINKSNROCFLFQ-ZDUSSCGKSA-N 2 2 298.431 -0.003 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N(C)C[C@@H]1CC[NH+]1[C@@H]1CCNC1=O ZINC001418605961 906424760 /nfs/dbraw/zinc/42/47/60/906424760.db2.gz QKOALCZMLAROIX-QWHCGFSZSA-N 2 2 296.415 -0.252 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H]1CC[NH+]1[C@@H]1CCNC1=O ZINC001418605961 906424768 /nfs/dbraw/zinc/42/47/68/906424768.db2.gz QKOALCZMLAROIX-QWHCGFSZSA-N 2 2 296.415 -0.252 20 0 CBADLP CC(C)[NH+](C)CC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@@H]1CCNC1=O ZINC001418605961 906424776 /nfs/dbraw/zinc/42/47/76/906424776.db2.gz QKOALCZMLAROIX-QWHCGFSZSA-N 2 2 296.415 -0.252 20 0 CBADLP CC(C)[NH+](C)CC(=O)N(C)C[C@@H]1CC[N@H+]1[C@@H]1CCNC1=O ZINC001418605961 906424782 /nfs/dbraw/zinc/42/47/82/906424782.db2.gz QKOALCZMLAROIX-QWHCGFSZSA-N 2 2 296.415 -0.252 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N(C)C[C@@H]1CC[NH+]1[C@H](C)C(N)=O ZINC001418601369 906424946 /nfs/dbraw/zinc/42/49/46/906424946.db2.gz LBIYQVYRJNEYOA-NEPJUHHUSA-N 2 2 284.404 -0.267 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H]1CC[NH+]1[C@H](C)C(N)=O ZINC001418601369 906424961 /nfs/dbraw/zinc/42/49/61/906424961.db2.gz LBIYQVYRJNEYOA-NEPJUHHUSA-N 2 2 284.404 -0.267 20 0 CBADLP CC(C)[NH+](C)CC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@H](C)C(N)=O ZINC001418601369 906424974 /nfs/dbraw/zinc/42/49/74/906424974.db2.gz LBIYQVYRJNEYOA-NEPJUHHUSA-N 2 2 284.404 -0.267 20 0 CBADLP CC(C)[NH+](C)CC(=O)N(C)C[C@@H]1CC[N@H+]1[C@H](C)C(N)=O ZINC001418601369 906424988 /nfs/dbraw/zinc/42/49/88/906424988.db2.gz LBIYQVYRJNEYOA-NEPJUHHUSA-N 2 2 284.404 -0.267 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001418635288 906432658 /nfs/dbraw/zinc/43/26/58/906432658.db2.gz AKSHOMRFOOTAKH-VXGBXAGGSA-N 2 2 293.371 -0.402 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001418635288 906432663 /nfs/dbraw/zinc/43/26/63/906432663.db2.gz AKSHOMRFOOTAKH-VXGBXAGGSA-N 2 2 293.371 -0.402 20 0 CBADLP CC[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1CC(N)=O)[NH+](C)C ZINC001418635795 906434757 /nfs/dbraw/zinc/43/47/57/906434757.db2.gz HLJRVQIPFBKCQX-MNOVXSKESA-N 2 2 270.377 -0.608 20 0 CBADLP CC[C@@H](C(=O)NC[C@H]1CCC[N@H+]1CC(N)=O)[NH+](C)C ZINC001418635795 906434766 /nfs/dbraw/zinc/43/47/66/906434766.db2.gz HLJRVQIPFBKCQX-MNOVXSKESA-N 2 2 270.377 -0.608 20 0 CBADLP CCNC(=O)C[N@H+](CCNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001418815987 906486163 /nfs/dbraw/zinc/48/61/63/906486163.db2.gz WQDYIXABLYJZAF-UHFFFAOYSA-N 2 2 296.415 -0.201 20 0 CBADLP CCNC(=O)C[N@@H+](CCNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001418815987 906486172 /nfs/dbraw/zinc/48/61/72/906486172.db2.gz WQDYIXABLYJZAF-UHFFFAOYSA-N 2 2 296.415 -0.201 20 0 CBADLP C[C@H]([NH2+]CCN(C)C(=O)Cc1c[nH+]c[nH]1)C(=O)N(C)C ZINC001418819596 906486469 /nfs/dbraw/zinc/48/64/69/906486469.db2.gz LVOURMGIODKDJA-JTQLQIEISA-N 2 2 281.360 -0.523 20 0 CBADLP CC[N@H+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC(=O)NC ZINC001418854670 906500086 /nfs/dbraw/zinc/50/00/86/906500086.db2.gz XJGLVBNUFGKJKK-BETUJISGSA-N 2 2 296.415 -0.251 20 0 CBADLP CC[N@@H+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC(=O)NC ZINC001418854670 906500095 /nfs/dbraw/zinc/50/00/95/906500095.db2.gz XJGLVBNUFGKJKK-BETUJISGSA-N 2 2 296.415 -0.251 20 0 CBADLP CC[NH+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NC ZINC001418854670 906500105 /nfs/dbraw/zinc/50/01/05/906500105.db2.gz XJGLVBNUFGKJKK-BETUJISGSA-N 2 2 296.415 -0.251 20 0 CBADLP CC[NH+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NC ZINC001418854670 906500115 /nfs/dbraw/zinc/50/01/15/906500115.db2.gz XJGLVBNUFGKJKK-BETUJISGSA-N 2 2 296.415 -0.251 20 0 CBADLP CCCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001418870175 906502901 /nfs/dbraw/zinc/50/29/01/906502901.db2.gz YQWQGGKUFDPDFX-OLZOCXBDSA-N 2 2 296.415 -0.121 20 0 CBADLP CCCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001418870175 906502917 /nfs/dbraw/zinc/50/29/17/906502917.db2.gz YQWQGGKUFDPDFX-OLZOCXBDSA-N 2 2 296.415 -0.121 20 0 CBADLP CCCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001418870175 906502932 /nfs/dbraw/zinc/50/29/32/906502932.db2.gz YQWQGGKUFDPDFX-OLZOCXBDSA-N 2 2 296.415 -0.121 20 0 CBADLP CCCN(C(=O)[C@@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001418870175 906502947 /nfs/dbraw/zinc/50/29/47/906502947.db2.gz YQWQGGKUFDPDFX-OLZOCXBDSA-N 2 2 296.415 -0.121 20 0 CBADLP C[C@H](C(N)=O)[N@H+](C)C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001418941333 906525625 /nfs/dbraw/zinc/52/56/25/906525625.db2.gz HNFRMTSQAVPQGL-GHMZBOCLSA-N 2 2 293.371 -0.394 20 0 CBADLP C[C@H](C(N)=O)[N@@H+](C)C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001418941333 906525633 /nfs/dbraw/zinc/52/56/33/906525633.db2.gz HNFRMTSQAVPQGL-GHMZBOCLSA-N 2 2 293.371 -0.394 20 0 CBADLP COC[C@@H](O)C[NH+]1CC(NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001418973594 906539068 /nfs/dbraw/zinc/53/90/68/906539068.db2.gz VQCXVXGXQGSQSU-ZDUSSCGKSA-N 2 2 285.388 -0.722 20 0 CBADLP COC[C@@H](O)C[NH+]1CC(NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001418973594 906539075 /nfs/dbraw/zinc/53/90/75/906539075.db2.gz VQCXVXGXQGSQSU-ZDUSSCGKSA-N 2 2 285.388 -0.722 20 0 CBADLP CCCNC(=O)C[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001419030746 906570827 /nfs/dbraw/zinc/57/08/27/906570827.db2.gz ZGYLBBCYOTZZAK-CYBMUJFWSA-N 2 2 296.415 -0.345 20 0 CBADLP CCCNC(=O)C[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001419030746 906570833 /nfs/dbraw/zinc/57/08/33/906570833.db2.gz ZGYLBBCYOTZZAK-CYBMUJFWSA-N 2 2 296.415 -0.345 20 0 CBADLP CCn1nncc1C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001419091614 906593177 /nfs/dbraw/zinc/59/31/77/906593177.db2.gz VLHBHOSPGDUAOC-GFCCVEGCSA-N 2 2 294.403 -0.060 20 0 CBADLP CCn1nncc1C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001419091614 906593184 /nfs/dbraw/zinc/59/31/84/906593184.db2.gz VLHBHOSPGDUAOC-GFCCVEGCSA-N 2 2 294.403 -0.060 20 0 CBADLP CCC[N@H+](C)CC(=O)N(C)[C@H]1CC[NH+](CC(N)=O)C1 ZINC001419140909 906607420 /nfs/dbraw/zinc/60/74/20/906607420.db2.gz MLFLNHQDRWMODO-NSHDSACASA-N 2 2 270.377 -0.654 20 0 CBADLP CCC[N@@H+](C)CC(=O)N(C)[C@H]1CC[NH+](CC(N)=O)C1 ZINC001419140909 906607428 /nfs/dbraw/zinc/60/74/28/906607428.db2.gz MLFLNHQDRWMODO-NSHDSACASA-N 2 2 270.377 -0.654 20 0 CBADLP CCC[NH+](C)CC(=O)N(C)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001419140909 906607438 /nfs/dbraw/zinc/60/74/38/906607438.db2.gz MLFLNHQDRWMODO-NSHDSACASA-N 2 2 270.377 -0.654 20 0 CBADLP CCC[NH+](C)CC(=O)N(C)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001419140909 906607446 /nfs/dbraw/zinc/60/74/46/906607446.db2.gz MLFLNHQDRWMODO-NSHDSACASA-N 2 2 270.377 -0.654 20 0 CBADLP CC[C@@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+][C@H](C)C(N)=O ZINC001419274501 906655771 /nfs/dbraw/zinc/65/57/71/906655771.db2.gz ZSCQDNKQRPCLEM-ZJUUUORDSA-N 2 2 281.360 -0.679 20 0 CBADLP O=C(CCn1cc[nH+]c1)N[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001419416004 906683222 /nfs/dbraw/zinc/68/32/22/906683222.db2.gz YRUGTSKXPYAVOQ-IJLUTSLNSA-N 2 2 291.355 -0.602 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001419434801 906686515 /nfs/dbraw/zinc/68/65/15/906686515.db2.gz KOQFZXMHJFPBBR-MGCOHNPYSA-N 2 2 279.344 -0.925 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)C[NH2+]CC(N)=O ZINC001419478025 906700420 /nfs/dbraw/zinc/70/04/20/906700420.db2.gz APRNUXUXWOUFHK-GHMZBOCLSA-N 2 2 293.371 -0.727 20 0 CBADLP CCCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001419728338 906786321 /nfs/dbraw/zinc/78/63/21/906786321.db2.gz VIOGFFRYXWFTLK-LLVKDONJSA-N 2 2 295.387 -0.085 20 0 CBADLP C[C@H](C[NH2+]CC(=O)N(C)C)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001419744524 906797911 /nfs/dbraw/zinc/79/79/11/906797911.db2.gz QDSWBPWPEKETJM-SNVBAGLBSA-N 2 2 281.360 -0.523 20 0 CBADLP C[C@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]Cc1cn(C)nn1 ZINC001419825244 906823681 /nfs/dbraw/zinc/82/36/81/906823681.db2.gz DXHDVMHTQMROQS-LLVKDONJSA-N 2 2 291.359 -0.304 20 0 CBADLP C[C@H]([NH2+]CC(N)=O)[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001419831287 906828476 /nfs/dbraw/zinc/82/84/76/906828476.db2.gz NWVWNHKVAXZYGV-WDEREUQCSA-N 2 2 293.371 -0.346 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)[NH2+]CCO ZINC001419838023 906832457 /nfs/dbraw/zinc/83/24/57/906832457.db2.gz OSTFPVPWYWXXQK-GXTWGEPZSA-N 2 2 299.415 -0.284 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1)[NH2+]CCO ZINC001419838023 906832465 /nfs/dbraw/zinc/83/24/65/906832465.db2.gz OSTFPVPWYWXXQK-GXTWGEPZSA-N 2 2 299.415 -0.284 20 0 CBADLP CC(C)N(C)C(=O)C[NH2+][C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001419848427 906832965 /nfs/dbraw/zinc/83/29/65/906832965.db2.gz IUFDNEZTHZKYHY-LLVKDONJSA-N 2 2 295.387 -0.087 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)[NH2+]CCO ZINC001419838032 906833192 /nfs/dbraw/zinc/83/31/92/906833192.db2.gz OSTFPVPWYWXXQK-JSGCOSHPSA-N 2 2 299.415 -0.284 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)[NH2+]CCO ZINC001419838032 906833198 /nfs/dbraw/zinc/83/31/98/906833198.db2.gz OSTFPVPWYWXXQK-JSGCOSHPSA-N 2 2 299.415 -0.284 20 0 CBADLP NC(=O)C[NH2+][C@@H]1CCC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001420007186 906893279 /nfs/dbraw/zinc/89/32/79/906893279.db2.gz AZBLOAVLIGQBFX-NEPJUHHUSA-N 2 2 293.371 -0.225 20 0 CBADLP CNC(=O)C[N@H+](C)CCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001420064365 906917147 /nfs/dbraw/zinc/91/71/47/906917147.db2.gz WUBHGFUEUAEDPA-UHFFFAOYSA-N 2 2 298.431 -0.001 20 0 CBADLP CNC(=O)C[N@@H+](C)CCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001420064365 906917158 /nfs/dbraw/zinc/91/71/58/906917158.db2.gz WUBHGFUEUAEDPA-UHFFFAOYSA-N 2 2 298.431 -0.001 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@H](C)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001420150799 906969296 /nfs/dbraw/zinc/96/92/96/906969296.db2.gz AJJVIEWVKYMTRL-NXEZZACHSA-N 2 2 281.360 -0.429 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@@H](O)C[NH2+]CC1CCOCC1 ZINC001420202600 907015665 /nfs/dbraw/zinc/01/56/65/907015665.db2.gz GDTICLCKUQJPTI-ZDUSSCGKSA-N 2 2 296.371 -0.624 20 0 CBADLP C[C@@H](CC[NH2+][C@@H]1CCNC1=O)NC(=O)Cc1c[nH]c[nH+]1 ZINC001420223112 907026859 /nfs/dbraw/zinc/02/68/59/907026859.db2.gz ICBCAEQPJACRBF-GXSJLCMTSA-N 2 2 279.344 -0.675 20 0 CBADLP C[C@H](CC[NH2+][C@@H]1CCNC1=O)NC(=O)Cc1c[nH+]cn1C ZINC001420238634 907036077 /nfs/dbraw/zinc/03/60/77/907036077.db2.gz QYOOIEUOSYYERV-ZYHUDNBSSA-N 2 2 293.371 -0.665 20 0 CBADLP C[C@H](CC[NH2+][C@@H]1CCN(C)C1=O)NC(=O)Cn1cc[nH+]c1 ZINC001420243187 907042965 /nfs/dbraw/zinc/04/29/65/907042965.db2.gz KUBWRLPBAUDKNS-VXGBXAGGSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@H](C(=O)N(C)C)[N@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001420249480 907043564 /nfs/dbraw/zinc/04/35/64/907043564.db2.gz CPYMLELLTAHMCK-CHWSQXEVSA-N 2 2 298.431 -0.005 20 0 CBADLP C[C@H](C(=O)N(C)C)[N@@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001420249480 907043569 /nfs/dbraw/zinc/04/35/69/907043569.db2.gz CPYMLELLTAHMCK-CHWSQXEVSA-N 2 2 298.431 -0.005 20 0 CBADLP C[C@H](C(=O)N(C)C)[NH+](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001420249480 907043577 /nfs/dbraw/zinc/04/35/77/907043577.db2.gz CPYMLELLTAHMCK-CHWSQXEVSA-N 2 2 298.431 -0.005 20 0 CBADLP C[C@H](C(=O)N(C)C)[NH+](C)CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001420249480 907043586 /nfs/dbraw/zinc/04/35/86/907043586.db2.gz CPYMLELLTAHMCK-CHWSQXEVSA-N 2 2 298.431 -0.005 20 0 CBADLP CCNC(=O)C[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001420280891 907068453 /nfs/dbraw/zinc/06/84/53/907068453.db2.gz QBDLUUHREGRCKN-STQMWFEESA-N 2 2 298.431 -0.099 20 0 CBADLP CCNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001420280891 907068471 /nfs/dbraw/zinc/06/84/71/907068471.db2.gz QBDLUUHREGRCKN-STQMWFEESA-N 2 2 298.431 -0.099 20 0 CBADLP CCNC(=O)C[NH+](C)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001420280891 907068490 /nfs/dbraw/zinc/06/84/90/907068490.db2.gz QBDLUUHREGRCKN-STQMWFEESA-N 2 2 298.431 -0.099 20 0 CBADLP CCNC(=O)C[NH+](C)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001420280891 907068505 /nfs/dbraw/zinc/06/85/05/907068505.db2.gz QBDLUUHREGRCKN-STQMWFEESA-N 2 2 298.431 -0.099 20 0 CBADLP C[C@H](C(N)=O)[N@H+](C)CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001420319148 907097345 /nfs/dbraw/zinc/09/73/45/907097345.db2.gz KLNWQHZTXPPATH-GFCCVEGCSA-N 2 2 284.404 -0.360 20 0 CBADLP C[C@H](C(N)=O)[N@@H+](C)CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001420319148 907097364 /nfs/dbraw/zinc/09/73/64/907097364.db2.gz KLNWQHZTXPPATH-GFCCVEGCSA-N 2 2 284.404 -0.360 20 0 CBADLP CCN1CC[C@H]([NH2+]C[C@@H](C)NC(=O)Cc2[nH]cc[nH+]2)C1=O ZINC001420351555 907117263 /nfs/dbraw/zinc/11/72/63/907117263.db2.gz IHTCIDSIBJUGIF-MNOVXSKESA-N 2 2 293.371 -0.333 20 0 CBADLP COC[C@H](O)C[NH2+]C[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001420370632 907124738 /nfs/dbraw/zinc/12/47/38/907124738.db2.gz ZWTSCCYMUKISMS-ZYHUDNBSSA-N 2 2 284.360 -0.936 20 0 CBADLP C[C@H](C[NH2+]Cc1cncn1C)NC(=O)Cn1cc[nH+]c1 ZINC001420386810 907132827 /nfs/dbraw/zinc/13/28/27/907132827.db2.gz JLGXLXLYRCWRFD-LLVKDONJSA-N 2 2 276.344 -0.089 20 0 CBADLP C[C@@H](C[NH2+]Cc1cnns1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001420401847 907144141 /nfs/dbraw/zinc/14/41/41/907144141.db2.gz BJEQDFQASROECL-GXSJLCMTSA-N 2 2 299.400 -0.537 20 0 CBADLP C[C@@H](C[NH2+]Cc1cnns1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001420401847 907144149 /nfs/dbraw/zinc/14/41/49/907144149.db2.gz BJEQDFQASROECL-GXSJLCMTSA-N 2 2 299.400 -0.537 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@@H](C)C[NH2+]Cc1cnon1 ZINC001420509694 907188204 /nfs/dbraw/zinc/18/82/04/907188204.db2.gz FPJIATAZKLVTIW-VIFPVBQESA-N 2 2 278.316 -0.131 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[N@H+](C)[C@H]1CCNC1=O ZINC001420603282 907230097 /nfs/dbraw/zinc/23/00/97/907230097.db2.gz CZWBUUKTRYHUKZ-PWSUYJOCSA-N 2 2 293.371 -0.483 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[N@@H+](C)[C@H]1CCNC1=O ZINC001420603282 907230107 /nfs/dbraw/zinc/23/01/07/907230107.db2.gz CZWBUUKTRYHUKZ-PWSUYJOCSA-N 2 2 293.371 -0.483 20 0 CBADLP C[C@@H](C[N@H+](C)[C@@H]1CCN(C)C1=O)NC(=O)Cn1cc[nH+]c1 ZINC001420673499 907264284 /nfs/dbraw/zinc/26/42/84/907264284.db2.gz RTBDDCTWDZRDDE-NWDGAFQWSA-N 2 2 293.371 -0.450 20 0 CBADLP C[C@@H](C[N@@H+](C)[C@@H]1CCN(C)C1=O)NC(=O)Cn1cc[nH+]c1 ZINC001420673499 907264303 /nfs/dbraw/zinc/26/43/03/907264303.db2.gz RTBDDCTWDZRDDE-NWDGAFQWSA-N 2 2 293.371 -0.450 20 0 CBADLP CC[C@@H]([NH2+]CCN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1)C(N)=O ZINC001420732316 907282734 /nfs/dbraw/zinc/28/27/34/907282734.db2.gz UMUBDCOLNDXCCG-SNVBAGLBSA-N 2 2 295.387 -0.001 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NCC1C[NH+]([C@H](C)C(N)=O)C1 ZINC001421146026 907443375 /nfs/dbraw/zinc/44/33/75/907443375.db2.gz VNTWIKVCWLPWQB-SNVBAGLBSA-N 2 2 279.344 -0.887 20 0 CBADLP C[C@H](O)C[NH+]1CC(O)(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001421482711 907562978 /nfs/dbraw/zinc/56/29/78/907562978.db2.gz OQXSEGKHZALSOB-LBPRGKRZSA-N 2 2 299.415 -0.738 20 0 CBADLP CC[C@@H](CNC(=O)Cc1[nH]c[nH+]c1C)[NH2+][C@H](C)C(N)=O ZINC001421478995 907563738 /nfs/dbraw/zinc/56/37/38/907563738.db2.gz RLLPILGTPRBYEC-ZJUUUORDSA-N 2 2 281.360 -0.381 20 0 CBADLP COC[C@H](C)[NH+]1CC(O)(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001421481492 907566237 /nfs/dbraw/zinc/56/62/37/907566237.db2.gz IYEZXHLGTCOSFV-OLZOCXBDSA-N 2 2 299.415 -0.474 20 0 CBADLP COC[C@H](C)[NH+]1CC(O)(CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001421481492 907566247 /nfs/dbraw/zinc/56/62/47/907566247.db2.gz IYEZXHLGTCOSFV-OLZOCXBDSA-N 2 2 299.415 -0.474 20 0 CBADLP NC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)CCn2cc[nH+]c2)CC1 ZINC001421589492 907584616 /nfs/dbraw/zinc/58/46/16/907584616.db2.gz RTZMCORSQXGLBP-HAQNSBGRSA-N 2 2 293.371 -0.225 20 0 CBADLP CN(C)C(=O)C[NH2+]C1(CNC(=O)Cc2[nH]cc[nH+]2)CCC1 ZINC001421776506 907641055 /nfs/dbraw/zinc/64/10/55/907641055.db2.gz XLDITPSXHBGZPD-UHFFFAOYSA-N 2 2 293.371 -0.331 20 0 CBADLP CC(C)[N@@H+]1CCO[C@@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001421805895 907648091 /nfs/dbraw/zinc/64/80/91/907648091.db2.gz LBIPWBXAQLTRGM-AWEZNQCLSA-N 2 2 299.415 -0.066 20 0 CBADLP CC(C)[N@H+]1CCO[C@@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001421805895 907648095 /nfs/dbraw/zinc/64/80/95/907648095.db2.gz LBIPWBXAQLTRGM-AWEZNQCLSA-N 2 2 299.415 -0.066 20 0 CBADLP C[C@H](C[NH2+][C@@H](C)C(N)=O)N(C)C(=O)CCn1cc[nH+]c1 ZINC001421924139 907681475 /nfs/dbraw/zinc/68/14/75/907681475.db2.gz CQGHXVFGCHOEKX-MNOVXSKESA-N 2 2 281.360 -0.417 20 0 CBADLP C[C@@H](C[NH2+][C@H]1CCNC1=O)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001421951382 907685490 /nfs/dbraw/zinc/68/54/90/907685490.db2.gz BAXOTFQDWDMUFW-ONGXEEELSA-N 2 2 279.344 -0.723 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]C[C@H](C)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001421953180 907692583 /nfs/dbraw/zinc/69/25/83/907692583.db2.gz FWRSIVYJXRMASV-UWVGGRQHSA-N 2 2 281.360 -0.477 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N1CCC[C@](CO)([NH2+]CCF)C1 ZINC001421981448 907700096 /nfs/dbraw/zinc/70/00/96/907700096.db2.gz MWNAEKJEUCDHAQ-ZDUSSCGKSA-N 2 2 284.335 -0.135 20 0 CBADLP C[C@@H](C[NH2+][C@H]1CCNC1=O)N(C)C(=O)Cc1c[nH+]cn1C ZINC001421999596 907702410 /nfs/dbraw/zinc/70/24/10/907702410.db2.gz WICCBQNQLHEVIE-JQWIXIFHSA-N 2 2 293.371 -0.712 20 0 CBADLP C[C@H]([NH2+]C[C@H](C)N(C)C(=O)Cc1c[nH+]cn1C)C(N)=O ZINC001421999504 907702822 /nfs/dbraw/zinc/70/28/22/907702822.db2.gz WBRXTJYAQYKQAV-UWVGGRQHSA-N 2 2 281.360 -0.727 20 0 CBADLP CNC(=O)C[NH2+][C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001422057278 907708866 /nfs/dbraw/zinc/70/88/66/907708866.db2.gz XHOQTBKVQYOVFN-SKDRFNHKSA-N 2 2 293.371 -0.557 20 0 CBADLP C[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)[C@@H]1C[NH2+]CC(N)=O ZINC001422056089 907711453 /nfs/dbraw/zinc/71/14/53/907711453.db2.gz KCCDZVVOBCWWMN-CMPLNLGQSA-N 2 2 293.371 -0.346 20 0 CBADLP CCNC(=O)C[NH2+][C@H](CNC(=O)Cc1[nH]cc[nH+]1)C(C)C ZINC001422142647 907724291 /nfs/dbraw/zinc/72/42/91/907724291.db2.gz XZBKONJCWYCYSX-LLVKDONJSA-N 2 2 295.387 -0.181 20 0 CBADLP CNC(=O)C[N@H+](C)CCCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001502379228 921349949 /nfs/dbraw/zinc/34/99/49/921349949.db2.gz YJNMQHYVFRRDLN-UHFFFAOYSA-N 2 2 281.360 -0.522 20 0 CBADLP CNC(=O)C[N@@H+](C)CCCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001502379228 921349956 /nfs/dbraw/zinc/34/99/56/921349956.db2.gz YJNMQHYVFRRDLN-UHFFFAOYSA-N 2 2 281.360 -0.522 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001422284449 907780349 /nfs/dbraw/zinc/78/03/49/907780349.db2.gz YKYGHSWRBCEDFI-NWDGAFQWSA-N 2 2 293.371 -0.496 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC001422284452 907781458 /nfs/dbraw/zinc/78/14/58/907781458.db2.gz YKYGHSWRBCEDFI-RYUDHWBXSA-N 2 2 293.371 -0.496 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H](O)C[NH2+]C[C@H]1CCCOC1 ZINC001422361536 907823357 /nfs/dbraw/zinc/82/33/57/907823357.db2.gz FVPNGRABOQCQLS-DGCLKSJQSA-N 2 2 296.371 -0.555 20 0 CBADLP C[C@@H](NC(=O)CCn1cc[nH+]c1)[C@H](C)[NH2+]CC(=O)N(C)C ZINC001422364365 907825927 /nfs/dbraw/zinc/82/59/27/907825927.db2.gz HWALDBLIRAHNSK-NWDGAFQWSA-N 2 2 295.387 -0.156 20 0 CBADLP CO[C@@H](C)C[NH2+]C[C@@H](O)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001422389278 907841770 /nfs/dbraw/zinc/84/17/70/907841770.db2.gz IHRQVXYTJFSDAK-GXSJLCMTSA-N 2 2 284.360 -0.638 20 0 CBADLP C[C@H](CC[NH2+][C@@H](C)C(=O)N(C)C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001422435929 907858044 /nfs/dbraw/zinc/85/80/44/907858044.db2.gz YLHDOODRLVGWTM-MNOVXSKESA-N 2 2 295.387 -0.087 20 0 CBADLP CCN(CC[NH2+][C@H](C)C(N)=O)C(=O)CCc1c[nH+]cn1C ZINC001422462155 907867973 /nfs/dbraw/zinc/86/79/73/907867973.db2.gz UZIMDBCLWIRUHO-LLVKDONJSA-N 2 2 295.387 -0.335 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@]2(CCOC2=O)C1 ZINC001422506239 907897536 /nfs/dbraw/zinc/89/75/36/907897536.db2.gz VNHQPDQGNGYZMX-OCCSQVGLSA-N 2 2 286.372 -0.436 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@]2(CCOC2=O)C1 ZINC001422506239 907897553 /nfs/dbraw/zinc/89/75/53/907897553.db2.gz VNHQPDQGNGYZMX-OCCSQVGLSA-N 2 2 286.372 -0.436 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@]2(CCOC2=O)C1 ZINC001422506239 907897569 /nfs/dbraw/zinc/89/75/69/907897569.db2.gz VNHQPDQGNGYZMX-OCCSQVGLSA-N 2 2 286.372 -0.436 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@]2(CCOC2=O)C1 ZINC001422506239 907897582 /nfs/dbraw/zinc/89/75/82/907897582.db2.gz VNHQPDQGNGYZMX-OCCSQVGLSA-N 2 2 286.372 -0.436 20 0 CBADLP C[C@H](C[NH2+]CC(N)=O)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001422519193 907903519 /nfs/dbraw/zinc/90/35/19/907903519.db2.gz VBZTZISUKHCRBM-NXEZZACHSA-N 2 2 279.344 -0.975 20 0 CBADLP COCC[NH+]1CC2(C1)C[C@@H](NC(=O)CC[NH+](C)C)CO2 ZINC001502464215 921362638 /nfs/dbraw/zinc/36/26/38/921362638.db2.gz GCVNQILQBMFSIS-GFCCVEGCSA-N 2 2 285.388 -0.456 20 0 CBADLP C[C@H](C[NH2+]Cc1cnnn1C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001422575461 907933635 /nfs/dbraw/zinc/93/36/35/907933635.db2.gz FXIXFYCLPKJGQD-SECBINFHSA-N 2 2 277.332 -0.625 20 0 CBADLP CCN(C)C(=O)C[NH2+]C[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001422618256 907945117 /nfs/dbraw/zinc/94/51/17/907945117.db2.gz QWBVZNPPMVWQBW-LLVKDONJSA-N 2 2 281.360 -0.544 20 0 CBADLP CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001422758480 907996193 /nfs/dbraw/zinc/99/61/93/907996193.db2.gz XUHCMBDRIWPGJX-VXGBXAGGSA-N 2 2 296.415 -0.489 20 0 CBADLP CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001422758480 907996211 /nfs/dbraw/zinc/99/62/11/907996211.db2.gz XUHCMBDRIWPGJX-VXGBXAGGSA-N 2 2 296.415 -0.489 20 0 CBADLP C[C@H](CN(C)C(=O)CCc1c[nH]c[nH+]1)[NH2+][C@@H]1CCNC1=O ZINC001423081310 908101954 /nfs/dbraw/zinc/10/19/54/908101954.db2.gz SKZHXBOILJYTEA-ZYHUDNBSSA-N 2 2 293.371 -0.333 20 0 CBADLP C[C@H](CN(C)C(=O)CCc1c[nH+]c[nH]1)[NH2+][C@@H]1CCNC1=O ZINC001423081310 908101962 /nfs/dbraw/zinc/10/19/62/908101962.db2.gz SKZHXBOILJYTEA-ZYHUDNBSSA-N 2 2 293.371 -0.333 20 0 CBADLP C[C@@H](CN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1)[NH2+]CCO ZINC001423083438 908103602 /nfs/dbraw/zinc/10/36/02/908103602.db2.gz NEUUCMAYTVLTQM-NWDGAFQWSA-N 2 2 280.372 -0.126 20 0 CBADLP C[N@H+](CC(=O)NC[C@H]1CC[NH+]1[C@H]1CCNC1=O)C1CCC1 ZINC001423101493 908106068 /nfs/dbraw/zinc/10/60/68/908106068.db2.gz AMNYCQMTFSANJM-OLZOCXBDSA-N 2 2 294.399 -0.450 20 0 CBADLP C[N@@H+](CC(=O)NC[C@H]1CC[NH+]1[C@H]1CCNC1=O)C1CCC1 ZINC001423101493 908106082 /nfs/dbraw/zinc/10/60/82/908106082.db2.gz AMNYCQMTFSANJM-OLZOCXBDSA-N 2 2 294.399 -0.450 20 0 CBADLP C[NH+](CC(=O)NC[C@H]1CC[N@@H+]1[C@H]1CCNC1=O)C1CCC1 ZINC001423101493 908106095 /nfs/dbraw/zinc/10/60/95/908106095.db2.gz AMNYCQMTFSANJM-OLZOCXBDSA-N 2 2 294.399 -0.450 20 0 CBADLP C[NH+](CC(=O)NC[C@H]1CC[N@H+]1[C@H]1CCNC1=O)C1CCC1 ZINC001423101493 908106100 /nfs/dbraw/zinc/10/61/00/908106100.db2.gz AMNYCQMTFSANJM-OLZOCXBDSA-N 2 2 294.399 -0.450 20 0 CBADLP CCN(C)C(=O)C[N@@H+]1CC[C@H]1CNC(=O)CC[NH+](C)CC ZINC001423137028 908117714 /nfs/dbraw/zinc/11/77/14/908117714.db2.gz JICSHQDVGLYFBB-ZDUSSCGKSA-N 2 2 298.431 -0.003 20 0 CBADLP CCN(C)C(=O)C[N@H+]1CC[C@H]1CNC(=O)CC[NH+](C)CC ZINC001423137028 908117721 /nfs/dbraw/zinc/11/77/21/908117721.db2.gz JICSHQDVGLYFBB-ZDUSSCGKSA-N 2 2 298.431 -0.003 20 0 CBADLP CCN(C)C(=O)C[NH+]1CC[C@H]1CNC(=O)CC[N@H+](C)CC ZINC001423137028 908117723 /nfs/dbraw/zinc/11/77/23/908117723.db2.gz JICSHQDVGLYFBB-ZDUSSCGKSA-N 2 2 298.431 -0.003 20 0 CBADLP CCN(C)C(=O)C[NH+]1CC[C@H]1CNC(=O)CC[N@@H+](C)CC ZINC001423137028 908117729 /nfs/dbraw/zinc/11/77/29/908117729.db2.gz JICSHQDVGLYFBB-ZDUSSCGKSA-N 2 2 298.431 -0.003 20 0 CBADLP O=C(NC[C@H](CO)[NH2+]CCF)[C@H]1CCc2c[nH+]cn2C1 ZINC001423226139 908167029 /nfs/dbraw/zinc/16/70/29/908167029.db2.gz FYRWSRBIILZFAS-WDEREUQCSA-N 2 2 284.335 -0.518 20 0 CBADLP O=C(NC[C@@H](CO)[NH2+]CCF)[C@H]1CCc2c[nH+]cn2C1 ZINC001423226135 908167179 /nfs/dbraw/zinc/16/71/79/908167179.db2.gz FYRWSRBIILZFAS-QWRGUYRKSA-N 2 2 284.335 -0.518 20 0 CBADLP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@@H](CO)[NH2+]CCF)C2 ZINC001423264117 908182299 /nfs/dbraw/zinc/18/22/99/908182299.db2.gz OQSSAKRYTYZDKE-RYUDHWBXSA-N 2 2 298.362 -0.210 20 0 CBADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]CCF)C2 ZINC001423264095 908183206 /nfs/dbraw/zinc/18/32/06/908183206.db2.gz OQSSAKRYTYZDKE-NEPJUHHUSA-N 2 2 298.362 -0.210 20 0 CBADLP CC[C@@H]([NH2+]C1(CNC(=O)Cc2[nH]c[nH+]c2C)CC1)C(N)=O ZINC001423299297 908195775 /nfs/dbraw/zinc/19/57/75/908195775.db2.gz QBRXQUVDXSVLPD-SNVBAGLBSA-N 2 2 293.371 -0.237 20 0 CBADLP CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@@H]1C ZINC001423327304 908206430 /nfs/dbraw/zinc/20/64/30/908206430.db2.gz SLPMSOQOROFIBE-ZYHUDNBSSA-N 2 2 293.371 -0.333 20 0 CBADLP CNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)CCn2cc[nH+]c2)C1 ZINC001423334826 908208051 /nfs/dbraw/zinc/20/80/51/908208051.db2.gz RTXKBSWCIBLZCT-RYUDHWBXSA-N 2 2 293.371 -0.402 20 0 CBADLP CN(C[C@@H](O)C[NH2+]C[C@@H]1CCOC1)C(=O)Cn1cc[nH+]c1 ZINC001423489458 908255441 /nfs/dbraw/zinc/25/54/41/908255441.db2.gz KILHESUIBIEPCF-STQMWFEESA-N 2 2 296.371 -0.672 20 0 CBADLP C[C@H](CC(=O)N(C)C1CC([NH2+]CC(N)=O)C1)n1cc[nH+]c1 ZINC001423686665 908305112 /nfs/dbraw/zinc/30/51/12/908305112.db2.gz ZDGFTGWOBGPLRV-VOMCLLRMSA-N 2 2 293.371 -0.102 20 0 CBADLP CNC(=O)C[NH2+]C1CC(N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001423684642 908305360 /nfs/dbraw/zinc/30/53/60/908305360.db2.gz YSNSGYKFEXPEKB-UHFFFAOYSA-N 2 2 293.371 -0.414 20 0 CBADLP C[C@@H](CC(=O)N(C)C1CC([NH2+]CC(N)=O)C1)n1cc[nH+]c1 ZINC001423686663 908305384 /nfs/dbraw/zinc/30/53/84/908305384.db2.gz ZDGFTGWOBGPLRV-UNXYVOJBSA-N 2 2 293.371 -0.102 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CCC(O)(C[NH2+]CCF)CC1 ZINC001502897728 921405162 /nfs/dbraw/zinc/40/51/62/921405162.db2.gz URGHVPBTJCFXEE-UHFFFAOYSA-N 2 2 284.335 -0.204 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@](CO)([NH2+]CCF)C1 ZINC001424404273 908454815 /nfs/dbraw/zinc/45/48/15/908454815.db2.gz HCDBEXSALUGLSN-ZDUSSCGKSA-N 2 2 284.335 -0.135 20 0 CBADLP C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@@H](C)[NH2+]CCn1cncn1 ZINC001424821092 908513713 /nfs/dbraw/zinc/51/37/13/908513713.db2.gz BPNRIGICEGOKHD-GHMZBOCLSA-N 2 2 291.359 -0.273 20 0 CBADLP CNC(=O)C[N@H+](C)[C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001424970686 908539523 /nfs/dbraw/zinc/53/95/23/908539523.db2.gz HYSFCTVJUZZSHC-GFCCVEGCSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001424970686 908539533 /nfs/dbraw/zinc/53/95/33/908539533.db2.gz HYSFCTVJUZZSHC-GFCCVEGCSA-N 2 2 296.415 -0.203 20 0 CBADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)[N@H+](C)[C@H]1CCNC1=O ZINC001425063631 908564491 /nfs/dbraw/zinc/56/44/91/908564491.db2.gz XZNVWVVXPWVUMD-PWSUYJOCSA-N 2 2 293.371 -0.712 20 0 CBADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)[N@@H+](C)[C@H]1CCNC1=O ZINC001425063631 908564499 /nfs/dbraw/zinc/56/44/99/908564499.db2.gz XZNVWVVXPWVUMD-PWSUYJOCSA-N 2 2 293.371 -0.712 20 0 CBADLP C[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1)C(N)=O ZINC001425392119 908638212 /nfs/dbraw/zinc/63/82/12/908638212.db2.gz IGVZNNZLNMSLCK-CKYFFXLPSA-N 2 2 293.371 -0.300 20 0 CBADLP C[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1)C(N)=O ZINC001425392119 908638220 /nfs/dbraw/zinc/63/82/20/908638220.db2.gz IGVZNNZLNMSLCK-CKYFFXLPSA-N 2 2 293.371 -0.300 20 0 CBADLP C[C@@H](CC(=O)N[C@H]1C[C@H](C[NH2+]CC(N)=O)C1)n1cc[nH+]c1 ZINC001425416590 908642439 /nfs/dbraw/zinc/64/24/39/908642439.db2.gz DFWICQCOWPDHKB-SRVKXCTJSA-N 2 2 293.371 -0.196 20 0 CBADLP CC[C@@H]([NH2+][C@@H](C)CN(C)C(=O)CCn1cc[nH+]c1)C(N)=O ZINC001425618209 908684058 /nfs/dbraw/zinc/68/40/58/908684058.db2.gz LHGGDGJISGLZQR-NWDGAFQWSA-N 2 2 295.387 -0.026 20 0 CBADLP O=C(NC1CC(C[NH2+]CCO)C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001505505818 921433928 /nfs/dbraw/zinc/43/39/28/921433928.db2.gz WSSKRDAGZKDFJC-OTTFEQOBSA-N 2 2 292.383 -0.078 20 0 CBADLP O=C(C[NH+]1CCCC1)NC[C@@H](CO)[NH2+]Cc1cnns1 ZINC001425843745 908762560 /nfs/dbraw/zinc/76/25/60/908762560.db2.gz TUJNJSJRMFDEKU-JTQLQIEISA-N 2 2 299.400 -0.799 20 0 CBADLP CO[C@@H](C)C[NH2+]C[C@@H](O)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001426031058 908803856 /nfs/dbraw/zinc/80/38/56/908803856.db2.gz MDCHIXJQUOZMFW-WCQYABFASA-N 2 2 298.387 -0.594 20 0 CBADLP CCNC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001505720423 921472637 /nfs/dbraw/zinc/47/26/37/921472637.db2.gz NZRIFHGVTRXDKN-UWVGGRQHSA-N 2 2 281.360 -0.429 20 0 CBADLP CN(CCNC(=O)CCC[NH+](C)C)C(=O)Cn1cc[nH+]c1 ZINC001429454590 909243865 /nfs/dbraw/zinc/24/38/65/909243865.db2.gz IKMMOERHMQPONZ-UHFFFAOYSA-N 2 2 295.387 -0.201 20 0 CBADLP C[NH+](C)CCCC(=O)NC1CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001430286768 909321879 /nfs/dbraw/zinc/32/18/79/909321879.db2.gz RXGYZDZFIDAYEI-UHFFFAOYSA-N 2 2 293.371 -0.379 20 0 CBADLP C[C@@H](CNC(=O)CC[NH+](C)C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001430749108 909383464 /nfs/dbraw/zinc/38/34/64/909383464.db2.gz HCGDYLJQQPDGHA-JTQLQIEISA-N 2 2 281.360 -0.475 20 0 CBADLP CN(CCNC(=O)[C@H]1CCC[N@@H+]1C)C(=O)Cn1cc[nH+]c1 ZINC001431417737 909456464 /nfs/dbraw/zinc/45/64/64/909456464.db2.gz OOFMRIDAHYCFSQ-GFCCVEGCSA-N 2 2 293.371 -0.448 20 0 CBADLP CN(CCNC(=O)[C@H]1CCC[N@H+]1C)C(=O)Cn1cc[nH+]c1 ZINC001431417737 909456476 /nfs/dbraw/zinc/45/64/76/909456476.db2.gz OOFMRIDAHYCFSQ-GFCCVEGCSA-N 2 2 293.371 -0.448 20 0 CBADLP C[C@@H](C(=O)NC1CC[NH+]([C@@H]2CCOC2=O)CC1)[NH+](C)C ZINC001433832727 909873348 /nfs/dbraw/zinc/87/33/48/909873348.db2.gz LZHWNTFICCQQBS-CMPLNLGQSA-N 2 2 283.372 -0.167 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+](C)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001506069821 921532995 /nfs/dbraw/zinc/53/29/95/921532995.db2.gz WQQDBXVVUQSRLW-MNOVXSKESA-N 2 2 281.360 -0.417 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+](C)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001506069821 921533006 /nfs/dbraw/zinc/53/30/06/921533006.db2.gz WQQDBXVVUQSRLW-MNOVXSKESA-N 2 2 281.360 -0.417 20 0 CBADLP CN(C(=O)Cc1[nH]cc[nH+]1)C1CN(C(=O)CC[NH+](C)C)C1 ZINC001434096493 909998020 /nfs/dbraw/zinc/99/80/20/909998020.db2.gz NVPXYMFIOGFODV-UHFFFAOYSA-N 2 2 293.371 -0.427 20 0 CBADLP COCC[NH+]1CC(CCO)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001506121224 921548803 /nfs/dbraw/zinc/54/88/03/921548803.db2.gz AVOCTVBKPDTPAT-UHFFFAOYSA-N 2 2 297.399 -0.718 20 0 CBADLP COCC[NH+]1CC(CCO)(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001506117129 921549347 /nfs/dbraw/zinc/54/93/47/921549347.db2.gz WTUUJMZAYBBUDH-UHFFFAOYSA-N 2 2 299.415 -0.472 20 0 CBADLP COCC[NH+]1CC(CCO)(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001506124832 921550400 /nfs/dbraw/zinc/55/04/00/921550400.db2.gz UIQMNLINZJAHKA-ZDUSSCGKSA-N 2 2 299.415 -0.472 20 0 CBADLP COCC[NH+]1CC(CCO)(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001506124832 921550414 /nfs/dbraw/zinc/55/04/14/921550414.db2.gz UIQMNLINZJAHKA-ZDUSSCGKSA-N 2 2 299.415 -0.472 20 0 CBADLP CO[C@H](C)C[NH+]1CC(CCO)(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001506141534 921553183 /nfs/dbraw/zinc/55/31/83/921553183.db2.gz YFKYFHAJQJKYDN-CHWSQXEVSA-N 2 2 299.415 -0.474 20 0 CBADLP CO[C@H](C)C[NH+]1CC(CCO)(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001506141534 921553192 /nfs/dbraw/zinc/55/31/92/921553192.db2.gz YFKYFHAJQJKYDN-CHWSQXEVSA-N 2 2 299.415 -0.474 20 0 CBADLP C[NH+]1CCN(c2ncc(C[NH2+][C@@H]3COC[C@H]3O)cn2)CC1 ZINC001434511397 910242888 /nfs/dbraw/zinc/24/28/88/910242888.db2.gz KZQNNZXFBVLERV-CHWSQXEVSA-N 2 2 293.371 -0.922 20 0 CBADLP CC[C@H](C[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1)OC ZINC001434854809 910392939 /nfs/dbraw/zinc/39/29/39/910392939.db2.gz VFASXYUJBUVONH-KGLIPLIRSA-N 2 2 299.415 -0.114 20 0 CBADLP CC[C@H](C[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1)OC ZINC001434854809 910392947 /nfs/dbraw/zinc/39/29/47/910392947.db2.gz VFASXYUJBUVONH-KGLIPLIRSA-N 2 2 299.415 -0.114 20 0 CBADLP C[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)Cc2c[nH+]cn2C)C1)C(N)=O ZINC001436364064 910432563 /nfs/dbraw/zinc/43/25/63/910432563.db2.gz HZIFUPVWBGIDEX-MXWKQRLJSA-N 2 2 293.371 -0.679 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001436390393 910438205 /nfs/dbraw/zinc/43/82/05/910438205.db2.gz HVXAPQGHTDBAGI-GMTAPVOTSA-N 2 2 293.371 -0.429 20 0 CBADLP CC[C@@H]([NH2+][C@@H](C)CNC(=O)CCc1c[nH]c[nH+]1)C(N)=O ZINC001437147610 910564518 /nfs/dbraw/zinc/56/45/18/910564518.db2.gz MTQLSSNDDGXTRF-GXSJLCMTSA-N 2 2 281.360 -0.300 20 0 CBADLP CC[C@@H]([NH2+][C@@H](C)CNC(=O)CCc1c[nH+]c[nH]1)C(N)=O ZINC001437147610 910564540 /nfs/dbraw/zinc/56/45/40/910564540.db2.gz MTQLSSNDDGXTRF-GXSJLCMTSA-N 2 2 281.360 -0.300 20 0 CBADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CC(=O)NC1CC1 ZINC001437207106 910586194 /nfs/dbraw/zinc/58/61/94/910586194.db2.gz VSRWWPRHUCXTTB-SECBINFHSA-N 2 2 279.344 -0.675 20 0 CBADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@H]1CCCN(C)C1=O ZINC001437203136 910587355 /nfs/dbraw/zinc/58/73/55/910587355.db2.gz NKUAMKBFRBFCSF-PWSUYJOCSA-N 2 2 293.371 -0.333 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC[C@@H](C)[NH2+]Cc1cn(C)nn1 ZINC001437259067 910601348 /nfs/dbraw/zinc/60/13/48/910601348.db2.gz IJEDMBBBJJPIPF-SNVBAGLBSA-N 2 2 291.359 -0.385 20 0 CBADLP CNC(=O)C[NH2+][C@H]1CCC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001437331592 910615251 /nfs/dbraw/zinc/61/52/51/910615251.db2.gz ODRCACFWKUPQOM-WDEREUQCSA-N 2 2 293.371 -0.285 20 0 CBADLP C[C@H](CCNC(=O)CCc1[nH+]ccn1C)[NH2+]CC(N)=O ZINC001437395246 910626947 /nfs/dbraw/zinc/62/69/47/910626947.db2.gz JTDIIULIULIDQC-SNVBAGLBSA-N 2 2 281.360 -0.678 20 0 CBADLP C[C@H](CCNC(=O)C[C@H](C)n1cc[nH+]c1)[NH2+]CC(N)=O ZINC001437406024 910631297 /nfs/dbraw/zinc/63/12/97/910631297.db2.gz OOXXEPWYLJKZPE-MNOVXSKESA-N 2 2 281.360 -0.196 20 0 CBADLP C[N@H+](CCNC(=O)CCn1cc[nH+]c1)CCn1cncn1 ZINC001437498069 910659785 /nfs/dbraw/zinc/65/97/85/910659785.db2.gz ARHRYGQIXXNZTP-UHFFFAOYSA-N 2 2 291.359 -0.387 20 0 CBADLP C[N@@H+](CCNC(=O)CCn1cc[nH+]c1)CCn1cncn1 ZINC001437498069 910659794 /nfs/dbraw/zinc/65/97/94/910659794.db2.gz ARHRYGQIXXNZTP-UHFFFAOYSA-N 2 2 291.359 -0.387 20 0 CBADLP CN(C)C(=O)C[N@H+](C)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001437541608 910681373 /nfs/dbraw/zinc/68/13/73/910681373.db2.gz OYBXUSZOKNUMEL-GFCCVEGCSA-N 2 2 284.404 -0.536 20 0 CBADLP CN(C)C(=O)C[N@@H+](C)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001437541608 910681386 /nfs/dbraw/zinc/68/13/86/910681386.db2.gz OYBXUSZOKNUMEL-GFCCVEGCSA-N 2 2 284.404 -0.536 20 0 CBADLP CN(C)C(=O)C[NH+](C)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001437541608 910681401 /nfs/dbraw/zinc/68/14/01/910681401.db2.gz OYBXUSZOKNUMEL-GFCCVEGCSA-N 2 2 284.404 -0.536 20 0 CBADLP CN(C)C(=O)C[NH+](C)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001437541608 910681422 /nfs/dbraw/zinc/68/14/22/910681422.db2.gz OYBXUSZOKNUMEL-GFCCVEGCSA-N 2 2 284.404 -0.536 20 0 CBADLP C[N@H+](CCNC(=O)C1CC[NH+](CC2CC2)CC1)CC(N)=O ZINC001437541398 910682168 /nfs/dbraw/zinc/68/21/68/910682168.db2.gz HPBDDTSEIZUILT-UHFFFAOYSA-N 2 2 296.415 -0.358 20 0 CBADLP C[N@@H+](CCNC(=O)C1CC[NH+](CC2CC2)CC1)CC(N)=O ZINC001437541398 910682178 /nfs/dbraw/zinc/68/21/78/910682178.db2.gz HPBDDTSEIZUILT-UHFFFAOYSA-N 2 2 296.415 -0.358 20 0 CBADLP CN(C)C(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001437701307 910725905 /nfs/dbraw/zinc/72/59/05/910725905.db2.gz MWRYWDPQEHEIIM-CYBMUJFWSA-N 2 2 296.415 -0.249 20 0 CBADLP CN(C)C(=O)C[N@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001437701307 910725918 /nfs/dbraw/zinc/72/59/18/910725918.db2.gz MWRYWDPQEHEIIM-CYBMUJFWSA-N 2 2 296.415 -0.249 20 0 CBADLP CNC(=O)C[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)C1CC1 ZINC001437776560 910741916 /nfs/dbraw/zinc/74/19/16/910741916.db2.gz CBUTWGCGWLXERL-LBPRGKRZSA-N 2 2 282.388 -0.593 20 0 CBADLP CNC(=O)C[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)C1CC1 ZINC001437776560 910741924 /nfs/dbraw/zinc/74/19/24/910741924.db2.gz CBUTWGCGWLXERL-LBPRGKRZSA-N 2 2 282.388 -0.593 20 0 CBADLP CNC(=O)C[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001437776560 910741936 /nfs/dbraw/zinc/74/19/36/910741936.db2.gz CBUTWGCGWLXERL-LBPRGKRZSA-N 2 2 282.388 -0.593 20 0 CBADLP CNC(=O)C[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001437776560 910741951 /nfs/dbraw/zinc/74/19/51/910741951.db2.gz CBUTWGCGWLXERL-LBPRGKRZSA-N 2 2 282.388 -0.593 20 0 CBADLP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC[N@H+](CC(N)=O)C1CC1 ZINC001437810748 910746985 /nfs/dbraw/zinc/74/69/85/910746985.db2.gz CJVDPKRDSRPDTI-RYUDHWBXSA-N 2 2 296.415 -0.075 20 0 CBADLP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC[N@@H+](CC(N)=O)C1CC1 ZINC001437810748 910746999 /nfs/dbraw/zinc/74/69/99/910746999.db2.gz CJVDPKRDSRPDTI-RYUDHWBXSA-N 2 2 296.415 -0.075 20 0 CBADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC[N@H+](CC(N)=O)C1CC1 ZINC001437810758 910751422 /nfs/dbraw/zinc/75/14/22/910751422.db2.gz CJVDPKRDSRPDTI-VXGBXAGGSA-N 2 2 296.415 -0.075 20 0 CBADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC[N@@H+](CC(N)=O)C1CC1 ZINC001437810758 910751429 /nfs/dbraw/zinc/75/14/29/910751429.db2.gz CJVDPKRDSRPDTI-VXGBXAGGSA-N 2 2 296.415 -0.075 20 0 CBADLP C[C@@H](O)C[NH+]1CC([C@@H](C)NC(=O)Cn2cc[nH+]c2)C1 ZINC001506682459 921604105 /nfs/dbraw/zinc/60/41/05/921604105.db2.gz MNPBGQYCGPGQHZ-GHMZBOCLSA-N 2 2 266.345 -0.300 20 0 CBADLP CCN(C)C(=O)C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001438109939 910822383 /nfs/dbraw/zinc/82/23/83/910822383.db2.gz GLKOYAYXSYVSGL-ZDUSSCGKSA-N 2 2 296.415 -0.393 20 0 CBADLP CCN(C)C(=O)C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001438109939 910822389 /nfs/dbraw/zinc/82/23/89/910822389.db2.gz GLKOYAYXSYVSGL-ZDUSSCGKSA-N 2 2 296.415 -0.393 20 0 CBADLP CNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001438129233 910825050 /nfs/dbraw/zinc/82/50/50/910825050.db2.gz AXSUTZRGIRSDGH-LLVKDONJSA-N 2 2 293.371 -0.626 20 0 CBADLP CCCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001438135467 910831276 /nfs/dbraw/zinc/83/12/76/910831276.db2.gz SPIOBBONBZZOQQ-LBPRGKRZSA-N 2 2 298.431 -0.099 20 0 CBADLP CCN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001438273341 910857413 /nfs/dbraw/zinc/85/74/13/910857413.db2.gz UHPACYZJBCWYFM-CHWSQXEVSA-N 2 2 296.415 -0.121 20 0 CBADLP CCN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001438273341 910857421 /nfs/dbraw/zinc/85/74/21/910857421.db2.gz UHPACYZJBCWYFM-CHWSQXEVSA-N 2 2 296.415 -0.121 20 0 CBADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+]Cc1cnnn1C ZINC001438549066 910919491 /nfs/dbraw/zinc/91/94/91/910919491.db2.gz HPVFPHHWOMGIMA-LLVKDONJSA-N 2 2 291.359 -0.446 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)C[NH2+]CC(=O)N(C)C ZINC001438548992 910919693 /nfs/dbraw/zinc/91/96/93/910919693.db2.gz PMVOHGYVVZVYPC-SNVBAGLBSA-N 2 2 295.387 -0.309 20 0 CBADLP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@@H]1C[NH+](CCO)CCO1 ZINC001438567408 910925260 /nfs/dbraw/zinc/92/52/60/910925260.db2.gz JQYQHRLRTVYXHU-UONOGXRCSA-N 2 2 299.415 -0.330 20 0 CBADLP C[N@H+]1CCC[C@H]1CCC(=O)NC[C@@H]1C[NH+](CCO)CCO1 ZINC001438567408 910925273 /nfs/dbraw/zinc/92/52/73/910925273.db2.gz JQYQHRLRTVYXHU-UONOGXRCSA-N 2 2 299.415 -0.330 20 0 CBADLP C[NH+]1CCC[C@H]1CCC(=O)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001438567408 910925292 /nfs/dbraw/zinc/92/52/92/910925292.db2.gz JQYQHRLRTVYXHU-UONOGXRCSA-N 2 2 299.415 -0.330 20 0 CBADLP C[NH+]1CCC[C@H]1CCC(=O)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001438567408 910925309 /nfs/dbraw/zinc/92/53/09/910925309.db2.gz JQYQHRLRTVYXHU-UONOGXRCSA-N 2 2 299.415 -0.330 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@H](C)C[NH2+]CC(N)=O ZINC001438686003 910951747 /nfs/dbraw/zinc/95/17/47/910951747.db2.gz GBWQAOJJLVFKJF-NXEZZACHSA-N 2 2 281.360 -0.490 20 0 CBADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@H](C)C[NH2+]CC(N)=O ZINC001438686003 910951761 /nfs/dbraw/zinc/95/17/61/910951761.db2.gz GBWQAOJJLVFKJF-NXEZZACHSA-N 2 2 281.360 -0.490 20 0 CBADLP CC(C)NC(=O)C[NH2+]C[C@H](C)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001438698259 910955977 /nfs/dbraw/zinc/95/59/77/910955977.db2.gz GZJKVKOMVPFAMI-NSHDSACASA-N 2 2 295.387 -0.087 20 0 CBADLP O=C(CCn1cc[nH+]c1)NC[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC001506818340 921620902 /nfs/dbraw/zinc/62/09/02/921620902.db2.gz SDMDDQLKTNDILZ-ZSOGYDGISA-N 2 2 292.383 -0.050 20 0 CBADLP O=C(CCn1cc[nH+]c1)NC[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC001506818340 921620925 /nfs/dbraw/zinc/62/09/25/921620925.db2.gz SDMDDQLKTNDILZ-ZSOGYDGISA-N 2 2 292.383 -0.050 20 0 CBADLP CCCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)Cn1cc[nH+]c1 ZINC001438715664 910963070 /nfs/dbraw/zinc/96/30/70/910963070.db2.gz QTCXVCUNTHBNQF-LBPRGKRZSA-N 2 2 295.387 -0.154 20 0 CBADLP C[C@H](C[NH2+][C@@H](C)C(N)=O)N(C)C(=O)CCCn1cc[nH+]c1 ZINC001438717120 910963795 /nfs/dbraw/zinc/96/37/95/910963795.db2.gz VJYLTSQVOYRKMV-NEPJUHHUSA-N 2 2 295.387 -0.026 20 0 CBADLP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CC[NH+](C)CC(=O)NC ZINC001438937020 911005835 /nfs/dbraw/zinc/00/58/35/911005835.db2.gz JUIIRDJOWWNBKI-ZDUSSCGKSA-N 2 2 298.431 -0.003 20 0 CBADLP CC[N@H+]1CCCC[C@H]1C(=O)N(C)CC[NH+](C)CC(=O)NC ZINC001438937020 911005843 /nfs/dbraw/zinc/00/58/43/911005843.db2.gz JUIIRDJOWWNBKI-ZDUSSCGKSA-N 2 2 298.431 -0.003 20 0 CBADLP CC[NH+]1CCCC[C@H]1C(=O)N(C)CC[N@H+](C)CC(=O)NC ZINC001438937020 911005864 /nfs/dbraw/zinc/00/58/64/911005864.db2.gz JUIIRDJOWWNBKI-ZDUSSCGKSA-N 2 2 298.431 -0.003 20 0 CBADLP CC[NH+]1CCCC[C@H]1C(=O)N(C)CC[N@@H+](C)CC(=O)NC ZINC001438937020 911005874 /nfs/dbraw/zinc/00/58/74/911005874.db2.gz JUIIRDJOWWNBKI-ZDUSSCGKSA-N 2 2 298.431 -0.003 20 0 CBADLP C[C@H]([NH2+]CCO)[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001506860740 921629368 /nfs/dbraw/zinc/62/93/68/921629368.db2.gz YHBHOWZKJXBVRG-RYUDHWBXSA-N 2 2 282.344 -0.919 20 0 CBADLP CCN(CC[NH2+][C@H](C)C(N)=O)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001439075817 911089909 /nfs/dbraw/zinc/08/99/09/911089909.db2.gz CKWYJTHEFXNLCA-GHMZBOCLSA-N 2 2 295.387 -0.100 20 0 CBADLP CCN(CC[NH2+][C@H](C)C(N)=O)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001439075817 911089924 /nfs/dbraw/zinc/08/99/24/911089924.db2.gz CKWYJTHEFXNLCA-GHMZBOCLSA-N 2 2 295.387 -0.100 20 0 CBADLP Cc1nnc(C[NH2+]C[C@@H](C)NC(=O)C[NH+]2CCCC2)[nH]1 ZINC001439178404 911128832 /nfs/dbraw/zinc/12/88/32/911128832.db2.gz ANJWRYZRDVPMON-SNVBAGLBSA-N 2 2 280.376 -0.197 20 0 CBADLP Cc1cn(C(C)(C)C(=O)N[C@@H](C)C[NH2+][C@H](C)C(N)=O)c[nH+]1 ZINC001439222772 911149394 /nfs/dbraw/zinc/14/93/94/911149394.db2.gz AIDZXBVLGKSFLP-GXSJLCMTSA-N 2 2 295.387 -0.105 20 0 CBADLP CNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001439221673 911150117 /nfs/dbraw/zinc/15/01/17/911150117.db2.gz JQEXZVFUAKSGLN-QWRGUYRKSA-N 2 2 293.371 -0.714 20 0 CBADLP CC[C@H]([NH2+]C[C@@H](NC(=O)Cn1cc[nH+]c1)C1CC1)C(N)=O ZINC001439493137 911220287 /nfs/dbraw/zinc/22/02/87/911220287.db2.gz FWDWLCDJUCIVGB-NWDGAFQWSA-N 2 2 293.371 -0.369 20 0 CBADLP CC[C@@H]([NH2+]C[C@@H](NC(=O)Cn1cc[nH+]c1)C1CC1)C(N)=O ZINC001439493140 911222278 /nfs/dbraw/zinc/22/22/78/911222278.db2.gz FWDWLCDJUCIVGB-VXGBXAGGSA-N 2 2 293.371 -0.369 20 0 CBADLP C[C@@H]([NH2+]C1(CNC(=O)CCn2cc[nH+]c2)CC1)C(N)=O ZINC001439631712 911263803 /nfs/dbraw/zinc/26/38/03/911263803.db2.gz GZWHZDIFSLMPIU-SNVBAGLBSA-N 2 2 279.344 -0.615 20 0 CBADLP CN1CC[C@H]([NH2+]C2(CNC(=O)Cc3[nH]cc[nH+]3)CC2)C1=O ZINC001439653570 911270395 /nfs/dbraw/zinc/27/03/95/911270395.db2.gz CRLDEBNOSWNQDC-JTQLQIEISA-N 2 2 291.355 -0.579 20 0 CBADLP CN1CC[C@@H]([NH2+]C2(CNC(=O)Cc3[nH]cc[nH+]3)CC2)C1=O ZINC001439653572 911270429 /nfs/dbraw/zinc/27/04/29/911270429.db2.gz CRLDEBNOSWNQDC-SNVBAGLBSA-N 2 2 291.355 -0.579 20 0 CBADLP Cn1ncc(C[NH2+]C2(CNC(=O)[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC001439666317 911270898 /nfs/dbraw/zinc/27/08/98/911270898.db2.gz BXYBGFRQWMAMFL-LLVKDONJSA-N 2 2 292.387 -0.495 20 0 CBADLP Cn1ncc(C[NH2+]C2(CNC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001439666317 911270908 /nfs/dbraw/zinc/27/09/08/911270908.db2.gz BXYBGFRQWMAMFL-LLVKDONJSA-N 2 2 292.387 -0.495 20 0 CBADLP C[C@@H]([NH2+]C[C@@H]1CCCN1C(=O)Cc1c[nH+]cn1C)C(N)=O ZINC001439791398 911292473 /nfs/dbraw/zinc/29/24/73/911292473.db2.gz UORIXWUVTWIDMP-MNOVXSKESA-N 2 2 293.371 -0.583 20 0 CBADLP C[C@H]([NH2+]C[C@@H]1CCCN1C(=O)Cc1c[nH+]cn1C)C(N)=O ZINC001439791399 911292845 /nfs/dbraw/zinc/29/28/45/911292845.db2.gz UORIXWUVTWIDMP-QWRGUYRKSA-N 2 2 293.371 -0.583 20 0 CBADLP CCC[N@H+](C)CC(=O)N[C@]1(C)CC[NH+](CC(N)=O)C1 ZINC001439873043 911307189 /nfs/dbraw/zinc/30/71/89/911307189.db2.gz WZGPFYAINGBLEL-CYBMUJFWSA-N 2 2 270.377 -0.606 20 0 CBADLP CCC[N@@H+](C)CC(=O)N[C@]1(C)CC[NH+](CC(N)=O)C1 ZINC001439873043 911307211 /nfs/dbraw/zinc/30/72/11/911307211.db2.gz WZGPFYAINGBLEL-CYBMUJFWSA-N 2 2 270.377 -0.606 20 0 CBADLP CCC[NH+](C)CC(=O)N[C@]1(C)CC[N@H+](CC(N)=O)C1 ZINC001439873043 911307232 /nfs/dbraw/zinc/30/72/32/911307232.db2.gz WZGPFYAINGBLEL-CYBMUJFWSA-N 2 2 270.377 -0.606 20 0 CBADLP CCC[NH+](C)CC(=O)N[C@]1(C)CC[N@@H+](CC(N)=O)C1 ZINC001439873043 911307241 /nfs/dbraw/zinc/30/72/41/911307241.db2.gz WZGPFYAINGBLEL-CYBMUJFWSA-N 2 2 270.377 -0.606 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)NCC2(O)C[NH+](CCC3CC3)C2)C1 ZINC001440041965 911363912 /nfs/dbraw/zinc/36/39/12/911363912.db2.gz MCOOTSVWNFNEOI-ZDUSSCGKSA-N 2 2 297.399 -0.720 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)NCC2(O)C[NH+](CCC3CC3)C2)C1 ZINC001440041965 911363931 /nfs/dbraw/zinc/36/39/31/911363931.db2.gz MCOOTSVWNFNEOI-ZDUSSCGKSA-N 2 2 297.399 -0.720 20 0 CBADLP CCC[NH+]1CCC(CO)(NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001440691669 911495665 /nfs/dbraw/zinc/49/56/65/911495665.db2.gz IIWBPVDTWRJVLC-CYBMUJFWSA-N 2 2 299.415 -0.330 20 0 CBADLP CCC[NH+]1CCC(CO)(NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001440691669 911495678 /nfs/dbraw/zinc/49/56/78/911495678.db2.gz IIWBPVDTWRJVLC-CYBMUJFWSA-N 2 2 299.415 -0.330 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N1CCC[C@H]1C[N@@H+](C)CC(N)=O ZINC001440739430 911497037 /nfs/dbraw/zinc/49/70/37/911497037.db2.gz ZODUNYKBWWQCME-LBPRGKRZSA-N 2 2 293.371 -0.400 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N1CCC[C@H]1C[N@H+](C)CC(N)=O ZINC001440739430 911497057 /nfs/dbraw/zinc/49/70/57/911497057.db2.gz ZODUNYKBWWQCME-LBPRGKRZSA-N 2 2 293.371 -0.400 20 0 CBADLP C[C@H](CNC(=O)CCCn1cc[nH+]c1)[N@H+](C)[C@H](C)C(N)=O ZINC001441024859 911584651 /nfs/dbraw/zinc/58/46/51/911584651.db2.gz NEWJNQRHHFIBOQ-VXGBXAGGSA-N 2 2 295.387 -0.026 20 0 CBADLP C[C@H](CNC(=O)CCCn1cc[nH+]c1)[N@@H+](C)[C@H](C)C(N)=O ZINC001441024859 911584656 /nfs/dbraw/zinc/58/46/56/911584656.db2.gz NEWJNQRHHFIBOQ-VXGBXAGGSA-N 2 2 295.387 -0.026 20 0 CBADLP C[NH+](C)CCCC(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001441044301 911596712 /nfs/dbraw/zinc/59/67/12/911596712.db2.gz NXPRSMNRJHNMPP-LLVKDONJSA-N 2 2 270.377 -0.606 20 0 CBADLP C[NH+](C)CCCC(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001441044301 911596719 /nfs/dbraw/zinc/59/67/19/911596719.db2.gz NXPRSMNRJHNMPP-LLVKDONJSA-N 2 2 270.377 -0.606 20 0 CBADLP NC(=O)C[NH2+][C@H](CNC(=O)CCc1c[nH]c[nH+]1)C1CC1 ZINC001441208707 911625956 /nfs/dbraw/zinc/62/59/56/911625956.db2.gz VDXJBZOAGWVHKI-LLVKDONJSA-N 2 2 279.344 -0.688 20 0 CBADLP NC(=O)C[NH2+][C@H](CNC(=O)CCc1c[nH+]c[nH]1)C1CC1 ZINC001441208707 911625964 /nfs/dbraw/zinc/62/59/64/911625964.db2.gz VDXJBZOAGWVHKI-LLVKDONJSA-N 2 2 279.344 -0.688 20 0 CBADLP CNC(=O)C[NH2+][C@H](CNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001441300877 911641073 /nfs/dbraw/zinc/64/10/73/911641073.db2.gz NUSGWUQWAXCRBB-LLVKDONJSA-N 2 2 279.344 -0.887 20 0 CBADLP C[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1)C(N)=O ZINC001441368303 911654138 /nfs/dbraw/zinc/65/41/38/911654138.db2.gz QDOTZWHRXWEWLH-GMTAPVOTSA-N 2 2 279.344 -0.759 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001441595693 911712353 /nfs/dbraw/zinc/71/23/53/911712353.db2.gz YWFCDQJDZQKASP-LBPRGKRZSA-N 2 2 293.371 -0.495 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001441595693 911712364 /nfs/dbraw/zinc/71/23/64/911712364.db2.gz YWFCDQJDZQKASP-LBPRGKRZSA-N 2 2 293.371 -0.495 20 0 CBADLP COC[C@H](O)C[NH2+][C@H](C)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001441606247 911716257 /nfs/dbraw/zinc/71/62/57/911716257.db2.gz OKYSUWSVSNBSOZ-ZYHUDNBSSA-N 2 2 284.360 -0.604 20 0 CBADLP C[C@H](CN(C)C(=O)CCc1c[nH+]cn1C)[NH2+][C@@H](C)C(N)=O ZINC001441632274 911719511 /nfs/dbraw/zinc/71/95/11/911719511.db2.gz ADRJLWSBDVOURO-MNOVXSKESA-N 2 2 295.387 -0.337 20 0 CBADLP Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@@H](CO)[NH2+]CCF)CC2 ZINC001441742320 911774192 /nfs/dbraw/zinc/77/41/92/911774192.db2.gz OVDUKCLLQDCFSU-NEPJUHHUSA-N 2 2 298.362 -0.210 20 0 CBADLP CC[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc1nccn1C)[NH+](C)C ZINC001441754098 911784014 /nfs/dbraw/zinc/78/40/14/911784014.db2.gz QMQDWADPGQXPSF-NEPJUHHUSA-N 2 2 297.403 -0.673 20 0 CBADLP C[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+][C@H]1CCCNC1=O ZINC001441869967 911838732 /nfs/dbraw/zinc/83/87/32/911838732.db2.gz WCJISOWZFUMICN-JQWIXIFHSA-N 2 2 293.371 -0.285 20 0 CBADLP C[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH2+][C@H]1CCCNC1=O ZINC001441869967 911838743 /nfs/dbraw/zinc/83/87/43/911838743.db2.gz WCJISOWZFUMICN-JQWIXIFHSA-N 2 2 293.371 -0.285 20 0 CBADLP C[C@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+][C@@H]1CCCNC1=O ZINC001441869977 911839133 /nfs/dbraw/zinc/83/91/33/911839133.db2.gz WCJISOWZFUMICN-ZYHUDNBSSA-N 2 2 293.371 -0.285 20 0 CBADLP C[C@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH2+][C@@H]1CCCNC1=O ZINC001441869977 911839143 /nfs/dbraw/zinc/83/91/43/911839143.db2.gz WCJISOWZFUMICN-ZYHUDNBSSA-N 2 2 293.371 -0.285 20 0 CBADLP C[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+]CCn1cncn1 ZINC001441867809 911842169 /nfs/dbraw/zinc/84/21/69/911842169.db2.gz TYVALBNWQDZJHR-NSHDSACASA-N 2 2 291.359 -0.272 20 0 CBADLP C[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH2+]CCn1cncn1 ZINC001441867809 911842184 /nfs/dbraw/zinc/84/21/84/911842184.db2.gz TYVALBNWQDZJHR-NSHDSACASA-N 2 2 291.359 -0.272 20 0 CBADLP C[C@H](O)C[NH2+]C[C@H](O)CN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001441975734 911877850 /nfs/dbraw/zinc/87/78/50/911877850.db2.gz BLHYUHXHHWZLFT-JQWIXIFHSA-N 2 2 284.360 -0.868 20 0 CBADLP C[C@H](O)C[NH2+]C[C@H](O)CN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001441975734 911877857 /nfs/dbraw/zinc/87/78/57/911877857.db2.gz BLHYUHXHHWZLFT-JQWIXIFHSA-N 2 2 284.360 -0.868 20 0 CBADLP CN(C[C@H](O)C[NH2+]Cc1cnon1)C(=O)C[NH+]1CCCC1 ZINC001442043858 911905062 /nfs/dbraw/zinc/90/50/62/911905062.db2.gz YFUNMONARJXQCD-GFCCVEGCSA-N 2 2 297.359 -0.926 20 0 CBADLP CNC(=O)C[N@H+](C)CCN(C(=O)[C@@H]1CCC[NH+]1C)C(C)C ZINC001442100282 911928742 /nfs/dbraw/zinc/92/87/42/911928742.db2.gz DBJDWJXAPNZIOI-ZDUSSCGKSA-N 2 2 298.431 -0.005 20 0 CBADLP CNC(=O)C[N@@H+](C)CCN(C(=O)[C@@H]1CCC[NH+]1C)C(C)C ZINC001442100282 911928763 /nfs/dbraw/zinc/92/87/63/911928763.db2.gz DBJDWJXAPNZIOI-ZDUSSCGKSA-N 2 2 298.431 -0.005 20 0 CBADLP CNC(=O)C[NH+](C)CCN(C(=O)[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001442100282 911928771 /nfs/dbraw/zinc/92/87/71/911928771.db2.gz DBJDWJXAPNZIOI-ZDUSSCGKSA-N 2 2 298.431 -0.005 20 0 CBADLP CNC(=O)C[NH+](C)CCN(C(=O)[C@@H]1CCC[N@H+]1C)C(C)C ZINC001442100282 911928784 /nfs/dbraw/zinc/92/87/84/911928784.db2.gz DBJDWJXAPNZIOI-ZDUSSCGKSA-N 2 2 298.431 -0.005 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@H](C)CCNC(=O)CCn1cc[nH+]c1 ZINC001442278737 911963212 /nfs/dbraw/zinc/96/32/12/911963212.db2.gz BWQQISKPGBEFHT-NEPJUHHUSA-N 2 2 295.387 -0.108 20 0 CBADLP CNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001442404924 912002073 /nfs/dbraw/zinc/00/20/73/912002073.db2.gz MIRJRASLKZJSGJ-LBPRGKRZSA-N 2 2 284.404 -0.347 20 0 CBADLP CNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001442404924 912002081 /nfs/dbraw/zinc/00/20/81/912002081.db2.gz MIRJRASLKZJSGJ-LBPRGKRZSA-N 2 2 284.404 -0.347 20 0 CBADLP CNC(=O)C[NH+](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001442404924 912002088 /nfs/dbraw/zinc/00/20/88/912002088.db2.gz MIRJRASLKZJSGJ-LBPRGKRZSA-N 2 2 284.404 -0.347 20 0 CBADLP CNC(=O)C[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001442404924 912002096 /nfs/dbraw/zinc/00/20/96/912002096.db2.gz MIRJRASLKZJSGJ-LBPRGKRZSA-N 2 2 284.404 -0.347 20 0 CBADLP C[NH+](C)CCCC(=O)NCC[N@H+](C)CC(=O)N1CCC1 ZINC001442505924 912035694 /nfs/dbraw/zinc/03/56/94/912035694.db2.gz ODMVHPMXHCCOQL-UHFFFAOYSA-N 2 2 284.404 -0.392 20 0 CBADLP C[NH+](C)CCCC(=O)NCC[N@@H+](C)CC(=O)N1CCC1 ZINC001442505924 912035706 /nfs/dbraw/zinc/03/57/06/912035706.db2.gz ODMVHPMXHCCOQL-UHFFFAOYSA-N 2 2 284.404 -0.392 20 0 CBADLP CCN(C)C(=O)C[N@H+](C)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001442515947 912043335 /nfs/dbraw/zinc/04/33/35/912043335.db2.gz IITAJWAEHZXEMQ-ZDUSSCGKSA-N 2 2 298.431 -0.146 20 0 CBADLP CCN(C)C(=O)C[N@@H+](C)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001442515947 912043347 /nfs/dbraw/zinc/04/33/47/912043347.db2.gz IITAJWAEHZXEMQ-ZDUSSCGKSA-N 2 2 298.431 -0.146 20 0 CBADLP CCN(C)C(=O)C[NH+](C)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001442515947 912043353 /nfs/dbraw/zinc/04/33/53/912043353.db2.gz IITAJWAEHZXEMQ-ZDUSSCGKSA-N 2 2 298.431 -0.146 20 0 CBADLP CCN(C)C(=O)C[NH+](C)CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001442515947 912043363 /nfs/dbraw/zinc/04/33/63/912043363.db2.gz IITAJWAEHZXEMQ-ZDUSSCGKSA-N 2 2 298.431 -0.146 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NC[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001442883265 912119730 /nfs/dbraw/zinc/11/97/30/912119730.db2.gz OOSLBNVMQHPARJ-LLVKDONJSA-N 2 2 279.344 -0.885 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NC[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001442883265 912119752 /nfs/dbraw/zinc/11/97/52/912119752.db2.gz OOSLBNVMQHPARJ-LLVKDONJSA-N 2 2 279.344 -0.885 20 0 CBADLP C[C@@H](O)C[N@@H+]1CC[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001442909523 912124016 /nfs/dbraw/zinc/12/40/16/912124016.db2.gz VJAJVQAFWVAJGE-VXGBXAGGSA-N 2 2 280.372 -0.219 20 0 CBADLP C[C@@H](O)C[N@H+]1CC[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001442909523 912124027 /nfs/dbraw/zinc/12/40/27/912124027.db2.gz VJAJVQAFWVAJGE-VXGBXAGGSA-N 2 2 280.372 -0.219 20 0 CBADLP CC[C@@H]([NH2+]CCN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1)C(N)=O ZINC001443081286 912148760 /nfs/dbraw/zinc/14/87/60/912148760.db2.gz SLIPCXCZACOACP-ZYHUDNBSSA-N 2 2 295.387 -0.100 20 0 CBADLP CC[C@@H]([NH2+]CCN(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1)C(N)=O ZINC001443081286 912148764 /nfs/dbraw/zinc/14/87/64/912148764.db2.gz SLIPCXCZACOACP-ZYHUDNBSSA-N 2 2 295.387 -0.100 20 0 CBADLP CN(CC[NH2+][C@H]1CCNC1=O)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001443093349 912152244 /nfs/dbraw/zinc/15/22/44/912152244.db2.gz BUCSIQOOEWTHDK-JTQLQIEISA-N 2 2 293.371 -0.376 20 0 CBADLP COC[C@@H](C)[NH2+][C@H](CO)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001507258154 921786608 /nfs/dbraw/zinc/78/66/08/921786608.db2.gz YQQONVYUHOMMKW-KOLCDFICSA-N 2 2 284.360 -0.638 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@H]1C[C@@H]([NH2+]Cc2cnon2)C1 ZINC001479345398 916118921 /nfs/dbraw/zinc/11/89/21/916118921.db2.gz DDAZKAWZCZFLQJ-PHIMTYICSA-N 2 2 290.327 -0.049 20 0 CBADLP C[C@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+][C@@H]1CCNC1=O ZINC001480475527 916432086 /nfs/dbraw/zinc/43/20/86/916432086.db2.gz RHHDYTATBKNPCW-MWLCHTKSSA-N 2 2 279.344 -0.675 20 0 CBADLP C[C@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH2+][C@@H]1CCNC1=O ZINC001480475527 916432095 /nfs/dbraw/zinc/43/20/95/916432095.db2.gz RHHDYTATBKNPCW-MWLCHTKSSA-N 2 2 279.344 -0.675 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1ncnn1C ZINC001480487806 916436138 /nfs/dbraw/zinc/43/61/38/916436138.db2.gz ZPZWYEDQSYZWTP-NWDGAFQWSA-N 2 2 294.403 -0.106 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)[NH2+]Cc1ncnn1C ZINC001480487806 916436145 /nfs/dbraw/zinc/43/61/45/916436145.db2.gz ZPZWYEDQSYZWTP-NWDGAFQWSA-N 2 2 294.403 -0.106 20 0 CBADLP CCCNC(=O)[C@H](C)[NH2+][C@@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001480542257 916464644 /nfs/dbraw/zinc/46/46/44/916464644.db2.gz KQIRHOLJHZOHOF-QWRGUYRKSA-N 2 2 295.387 -0.039 20 0 CBADLP C[C@@H](CCNC(=O)CCc1[nH+]ccn1C)[NH2+]CCO ZINC001480781208 916536538 /nfs/dbraw/zinc/53/65/38/916536538.db2.gz ONKTVJGZNCIZST-NSHDSACASA-N 2 2 268.361 -0.171 20 0 CBADLP C[C@@H](O)C[N@H+](C)CCNC(=O)Cc1c[nH+]cn1C ZINC001480934780 916643407 /nfs/dbraw/zinc/64/34/07/916643407.db2.gz GMTIBCSOAWTJJE-SNVBAGLBSA-N 2 2 254.334 -0.609 20 0 CBADLP C[C@@H](O)C[N@@H+](C)CCNC(=O)Cc1c[nH+]cn1C ZINC001480934780 916643424 /nfs/dbraw/zinc/64/34/24/916643424.db2.gz GMTIBCSOAWTJJE-SNVBAGLBSA-N 2 2 254.334 -0.609 20 0 CBADLP CC(C)CNC(=O)C[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001480946960 916648025 /nfs/dbraw/zinc/64/80/25/916648025.db2.gz ZUPUYDYHIZMTTE-ZDUSSCGKSA-N 2 2 298.431 -0.242 20 0 CBADLP CC(C)CNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001480946960 916648039 /nfs/dbraw/zinc/64/80/39/916648039.db2.gz ZUPUYDYHIZMTTE-ZDUSSCGKSA-N 2 2 298.431 -0.242 20 0 CBADLP CC(C)CNC(=O)C[NH+](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001480946960 916648050 /nfs/dbraw/zinc/64/80/50/916648050.db2.gz ZUPUYDYHIZMTTE-ZDUSSCGKSA-N 2 2 298.431 -0.242 20 0 CBADLP CC(C)CNC(=O)C[NH+](C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001480946960 916648067 /nfs/dbraw/zinc/64/80/67/916648067.db2.gz ZUPUYDYHIZMTTE-ZDUSSCGKSA-N 2 2 298.431 -0.242 20 0 CBADLP CC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C)CC(N)=O ZINC001480974693 916671627 /nfs/dbraw/zinc/67/16/27/916671627.db2.gz SQLKALLNKIWPSI-GFCCVEGCSA-N 2 2 284.404 -0.217 20 0 CBADLP CC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C(C)C)CC(N)=O ZINC001480974693 916671612 /nfs/dbraw/zinc/67/16/12/916671612.db2.gz SQLKALLNKIWPSI-GFCCVEGCSA-N 2 2 284.404 -0.217 20 0 CBADLP CC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C(C)C)CC(N)=O ZINC001480974693 916671618 /nfs/dbraw/zinc/67/16/18/916671618.db2.gz SQLKALLNKIWPSI-GFCCVEGCSA-N 2 2 284.404 -0.217 20 0 CBADLP CC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C(C)C)CC(N)=O ZINC001480974693 916671635 /nfs/dbraw/zinc/67/16/35/916671635.db2.gz SQLKALLNKIWPSI-GFCCVEGCSA-N 2 2 284.404 -0.217 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001481125162 916720779 /nfs/dbraw/zinc/72/07/79/916720779.db2.gz ATZYYAVPUDCDHB-NWDGAFQWSA-N 2 2 291.355 -0.790 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001481125162 916720790 /nfs/dbraw/zinc/72/07/90/916720790.db2.gz ATZYYAVPUDCDHB-NWDGAFQWSA-N 2 2 291.355 -0.790 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001481117271 916723021 /nfs/dbraw/zinc/72/30/21/916723021.db2.gz RSMDPHIAJQWYHA-QWRGUYRKSA-N 2 2 293.371 -0.346 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+]1CC[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001481117271 916723032 /nfs/dbraw/zinc/72/30/32/916723032.db2.gz RSMDPHIAJQWYHA-QWRGUYRKSA-N 2 2 293.371 -0.346 20 0 CBADLP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC(N)=O)C1CC1 ZINC001481172101 916738944 /nfs/dbraw/zinc/73/89/44/916738944.db2.gz ZVLDWOKBULVJSO-ZDUSSCGKSA-N 2 2 296.415 -0.073 20 0 CBADLP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC(N)=O)C1CC1 ZINC001481172101 916738960 /nfs/dbraw/zinc/73/89/60/916738960.db2.gz ZVLDWOKBULVJSO-ZDUSSCGKSA-N 2 2 296.415 -0.073 20 0 CBADLP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC(N)=O)C1CC1 ZINC001481172101 916738976 /nfs/dbraw/zinc/73/89/76/916738976.db2.gz ZVLDWOKBULVJSO-ZDUSSCGKSA-N 2 2 296.415 -0.073 20 0 CBADLP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC(N)=O)C1CC1 ZINC001481172101 916738984 /nfs/dbraw/zinc/73/89/84/916738984.db2.gz ZVLDWOKBULVJSO-ZDUSSCGKSA-N 2 2 296.415 -0.073 20 0 CBADLP CN(CC[NH2+]CCCO)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001481248723 916788819 /nfs/dbraw/zinc/78/88/19/916788819.db2.gz SKWBNEUJDRUXHK-LBPRGKRZSA-N 2 2 280.372 -0.124 20 0 CBADLP C[C@H](O)C[NH2+]CCN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001481248146 916789320 /nfs/dbraw/zinc/78/93/20/916789320.db2.gz NGWADBVEIDDGRW-RYUDHWBXSA-N 2 2 280.372 -0.126 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)CCCn1cc[nH+]c1 ZINC001481322670 916819472 /nfs/dbraw/zinc/81/94/72/916819472.db2.gz IXOSQRSNSGDEDH-LBPRGKRZSA-N 2 2 295.387 -0.154 20 0 CBADLP CNC(=O)C[NH2+]CCN(C)C(=O)CCCn1cc[nH+]c1 ZINC001481322296 916821842 /nfs/dbraw/zinc/82/18/42/916821842.db2.gz WHMPUUGEIIQFRC-UHFFFAOYSA-N 2 2 281.360 -0.543 20 0 CBADLP C[N@H+](CCO)C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001481508871 916858168 /nfs/dbraw/zinc/85/81/68/916858168.db2.gz MTCVEIHUAJLFIQ-GFCCVEGCSA-N 2 2 266.345 -0.344 20 0 CBADLP C[N@@H+](CCO)C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001481508871 916858177 /nfs/dbraw/zinc/85/81/77/916858177.db2.gz MTCVEIHUAJLFIQ-GFCCVEGCSA-N 2 2 266.345 -0.344 20 0 CBADLP CCOCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001481524193 916858514 /nfs/dbraw/zinc/85/85/14/916858514.db2.gz WASVNMDAJBOWEE-ZIAGYGMSSA-N 2 2 299.415 -0.066 20 0 CBADLP CCOCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001481524193 916858522 /nfs/dbraw/zinc/85/85/22/916858522.db2.gz WASVNMDAJBOWEE-ZIAGYGMSSA-N 2 2 299.415 -0.066 20 0 CBADLP CCOCC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001481524193 916858529 /nfs/dbraw/zinc/85/85/29/916858529.db2.gz WASVNMDAJBOWEE-ZIAGYGMSSA-N 2 2 299.415 -0.066 20 0 CBADLP CCOCC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001481524193 916858531 /nfs/dbraw/zinc/85/85/31/916858531.db2.gz WASVNMDAJBOWEE-ZIAGYGMSSA-N 2 2 299.415 -0.066 20 0 CBADLP CC[N@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[NH+]2[C@H](C)C(=O)NC ZINC001481681584 916940634 /nfs/dbraw/zinc/94/06/34/916940634.db2.gz IHCUZWJXUGDETL-AGIUHOORSA-N 2 2 296.415 -0.252 20 0 CBADLP CC[N@@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[NH+]2[C@H](C)C(=O)NC ZINC001481681584 916940646 /nfs/dbraw/zinc/94/06/46/916940646.db2.gz IHCUZWJXUGDETL-AGIUHOORSA-N 2 2 296.415 -0.252 20 0 CBADLP CC[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H](C)C(=O)NC ZINC001481681584 916940655 /nfs/dbraw/zinc/94/06/55/916940655.db2.gz IHCUZWJXUGDETL-AGIUHOORSA-N 2 2 296.415 -0.252 20 0 CBADLP CC[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H](C)C(=O)NC ZINC001481681584 916940670 /nfs/dbraw/zinc/94/06/70/916940670.db2.gz IHCUZWJXUGDETL-AGIUHOORSA-N 2 2 296.415 -0.252 20 0 CBADLP CC[C@@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)[NH2+]CCO ZINC001481825956 916996951 /nfs/dbraw/zinc/99/69/51/916996951.db2.gz MEJQSSMKJJNXCK-RYUDHWBXSA-N 2 2 280.372 -0.078 20 0 CBADLP CC[C@@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]CC(N)=O ZINC001481838564 917002733 /nfs/dbraw/zinc/00/27/33/917002733.db2.gz ZSUURFKCXSZLMY-JTQLQIEISA-N 2 2 267.333 -0.757 20 0 CBADLP CC[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CC(=O)N(C)CC ZINC001481861759 917007415 /nfs/dbraw/zinc/00/74/15/917007415.db2.gz PNXHTMGMCNENQL-NSHDSACASA-N 2 2 295.387 -0.085 20 0 CBADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)C[NH2+][C@@H]1CCNC1=O ZINC001482159668 917072193 /nfs/dbraw/zinc/07/21/93/917072193.db2.gz QQLNFMRMWHFCLA-CMPLNLGQSA-N 2 2 293.371 -0.807 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@H+](C[C@@H](C)O)CCO1 ZINC001482205926 917093009 /nfs/dbraw/zinc/09/30/09/917093009.db2.gz QWAHZVQJLRHWQO-DGCLKSJQSA-N 2 2 296.371 -0.611 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@@H+](C[C@@H](C)O)CCO1 ZINC001482205926 917093020 /nfs/dbraw/zinc/09/30/20/917093020.db2.gz QWAHZVQJLRHWQO-DGCLKSJQSA-N 2 2 296.371 -0.611 20 0 CBADLP CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001482290567 917116786 /nfs/dbraw/zinc/11/67/86/917116786.db2.gz BZUQPGARTTVBAX-LLVKDONJSA-N 2 2 295.387 -0.085 20 0 CBADLP CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001482290567 917116794 /nfs/dbraw/zinc/11/67/94/917116794.db2.gz BZUQPGARTTVBAX-LLVKDONJSA-N 2 2 295.387 -0.085 20 0 CBADLP CC(C)C[C@H](C[NH2+][C@@H](C)C(N)=O)NC(=O)Cc1c[nH]c[nH+]1 ZINC001482392841 917142709 /nfs/dbraw/zinc/14/27/09/917142709.db2.gz JMUPJKDNORPABY-CMPLNLGQSA-N 2 2 295.387 -0.054 20 0 CBADLP NC(=O)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CCn1cc[nH+]c1 ZINC001482683924 917204219 /nfs/dbraw/zinc/20/42/19/917204219.db2.gz KDTFRWHSHSZPRA-RYUDHWBXSA-N 2 2 293.371 -0.367 20 0 CBADLP C[C@@H](CC[NH2+]Cc1cnon1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001482822486 917302522 /nfs/dbraw/zinc/30/25/22/917302522.db2.gz VVKGXRLEUQGVDH-CMPLNLGQSA-N 2 2 297.359 -0.615 20 0 CBADLP C[C@@H](CC[NH2+]Cc1cnon1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001482822486 917302537 /nfs/dbraw/zinc/30/25/37/917302537.db2.gz VVKGXRLEUQGVDH-CMPLNLGQSA-N 2 2 297.359 -0.615 20 0 CBADLP C[C@H](CC[NH2+]CCO)NC(=O)CCc1c[nH]c[nH+]1 ZINC001482838215 917310783 /nfs/dbraw/zinc/31/07/83/917310783.db2.gz DNWITZDAGDFCED-SNVBAGLBSA-N 2 2 254.334 -0.181 20 0 CBADLP C[C@H](CC[NH2+]CCO)NC(=O)CCc1c[nH+]c[nH]1 ZINC001482838215 917310797 /nfs/dbraw/zinc/31/07/97/917310797.db2.gz DNWITZDAGDFCED-SNVBAGLBSA-N 2 2 254.334 -0.181 20 0 CBADLP O=C(CCn1cc[nH+]c1)NC/C=C/C[NH2+][C@H]1CCNC1=O ZINC001483046950 917388428 /nfs/dbraw/zinc/38/84/28/917388428.db2.gz UHQTZJCCINDGAA-ISUDXETCSA-N 2 2 291.355 -0.576 20 0 CBADLP C[C@H]([NH2+]C/C=C/CNC(=O)CC[NH+](C)C)c1nnnn1C ZINC001483054243 917392812 /nfs/dbraw/zinc/39/28/12/917392812.db2.gz LRDQEFQOBQGCLX-QRGHLMKCSA-N 2 2 295.391 -0.515 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC/C=C\C[NH2+][C@H]1CCNC1=O ZINC001483086180 917404148 /nfs/dbraw/zinc/40/41/48/917404148.db2.gz DVGGDZZZRIUTHK-QUCGXOGASA-N 2 2 291.355 -0.589 20 0 CBADLP C[C@H](C[NH2+][C@@H](C)C(N)=O)NC(=O)CCn1cc[nH+]c1 ZINC001483152629 917438012 /nfs/dbraw/zinc/43/80/12/917438012.db2.gz AXXZSWXFXWXLRA-ZJUUUORDSA-N 2 2 267.333 -0.759 20 0 CBADLP Cc1nnc(C[NH2+]C[C@@H](C)NC(=O)Cn2c[nH+]cc2C)[nH]1 ZINC001483150264 917439482 /nfs/dbraw/zinc/43/94/82/917439482.db2.gz ONGMMLTYWAXQAZ-SECBINFHSA-N 2 2 291.359 -0.087 20 0 CBADLP C[C@H](C[NH2+][C@H](C)C(N)=O)NC(=O)CCn1cc[nH+]c1 ZINC001483152624 917439591 /nfs/dbraw/zinc/43/95/91/917439591.db2.gz AXXZSWXFXWXLRA-NXEZZACHSA-N 2 2 267.333 -0.759 20 0 CBADLP CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001483199854 917459882 /nfs/dbraw/zinc/45/98/82/917459882.db2.gz YMXLYFOWIBGAQH-SNVBAGLBSA-N 2 2 267.333 -0.887 20 0 CBADLP C[C@@H](C[NH2+]CC(=O)N(C)C1CC1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001483278227 917504016 /nfs/dbraw/zinc/50/40/16/917504016.db2.gz WZXZPRJHVDUCBK-JTQLQIEISA-N 2 2 293.371 -0.333 20 0 CBADLP NC(=O)C[NH2+]C[C@H]1CCCC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001483442897 917561455 /nfs/dbraw/zinc/56/14/55/917561455.db2.gz NRVQHXAQEQFVGK-GHMZBOCLSA-N 2 2 293.371 -0.298 20 0 CBADLP C[C@H]([NH2+]CCCN(C)C(=O)Cc1[nH]cc[nH+]1)C(N)=O ZINC001483500499 917581598 /nfs/dbraw/zinc/58/15/98/917581598.db2.gz SXANADACQDVTKS-VIFPVBQESA-N 2 2 267.333 -0.736 20 0 CBADLP CN(CCC[NH2+]CC(N)=O)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001483492656 917582297 /nfs/dbraw/zinc/58/22/97/917582297.db2.gz VAMNBNIROFNKAW-GHMZBOCLSA-N 2 2 293.371 -0.553 20 0 CBADLP CCNC(=O)C[NH2+]CCCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001483494591 917582479 /nfs/dbraw/zinc/58/24/79/917582479.db2.gz IVZHJNXINBPJQT-UHFFFAOYSA-N 2 2 281.360 -0.474 20 0 CBADLP O=C(Cc1cn2c([nH+]1)CCCC2)NCC1([NH2+]CCO)CC1 ZINC001483736178 917664983 /nfs/dbraw/zinc/66/49/83/917664983.db2.gz LHKBCMSKFMSFFT-UHFFFAOYSA-N 2 2 292.383 -0.007 20 0 CBADLP C[C@@H]([NH2+]C1(CNC(=O)Cc2[nH]cc[nH+]2)CC1)C(=O)N(C)C ZINC001483778311 917677073 /nfs/dbraw/zinc/67/70/73/917677073.db2.gz CIHHQNVEPPKCTC-SNVBAGLBSA-N 2 2 293.371 -0.333 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NCC1([NH2+]CCCO)CC1 ZINC001483771323 917677353 /nfs/dbraw/zinc/67/73/53/917677353.db2.gz QKAZLOGFXLGPBX-UHFFFAOYSA-N 2 2 252.318 -0.427 20 0 CBADLP CNC(=O)C[NH2+]C1(CNC(=O)CCCn2cc[nH+]c2)CC1 ZINC001483797679 917686348 /nfs/dbraw/zinc/68/63/48/917686348.db2.gz VODKEAYUAZYWRH-UHFFFAOYSA-N 2 2 293.371 -0.352 20 0 CBADLP C[C@@H]([NH2+]C[C@@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1)C(N)=O ZINC001483945727 917712131 /nfs/dbraw/zinc/71/21/31/917712131.db2.gz GEMAMMPHHSAGEI-KOLCDFICSA-N 2 2 279.344 -0.593 20 0 CBADLP Cn1nncc1C[N@@H+]1CC[C@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001484058879 917732892 /nfs/dbraw/zinc/73/28/92/917732892.db2.gz VOGLNETZNGAFEO-AWEZNQCLSA-N 2 2 294.403 -0.153 20 0 CBADLP Cn1nncc1C[N@H+]1CC[C@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001484058879 917732903 /nfs/dbraw/zinc/73/29/03/917732903.db2.gz VOGLNETZNGAFEO-AWEZNQCLSA-N 2 2 294.403 -0.153 20 0 CBADLP C[C@]1(C[NH2+]CC(N)=O)CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001484119026 917739217 /nfs/dbraw/zinc/73/92/17/917739217.db2.gz JULYVVMDSIKYAN-CYBMUJFWSA-N 2 2 279.344 -0.734 20 0 CBADLP C[C@H]([NH2+]C[C@]1(C)CCN(C(=O)Cc2[nH]cc[nH+]2)C1)C(N)=O ZINC001484118799 917739808 /nfs/dbraw/zinc/73/98/08/917739808.db2.gz HMSJGKPEDWSURS-HZMBPMFUSA-N 2 2 293.371 -0.346 20 0 CBADLP CC[N@H+](C)CCC(=O)NCC1(O)C[NH+]([C@H](C)COC)C1 ZINC001484302287 917825955 /nfs/dbraw/zinc/82/59/55/917825955.db2.gz FZPGCLUKCQAQOU-GFCCVEGCSA-N 2 2 287.404 -0.474 20 0 CBADLP CC[N@@H+](C)CCC(=O)NCC1(O)C[NH+]([C@H](C)COC)C1 ZINC001484302287 917825963 /nfs/dbraw/zinc/82/59/63/917825963.db2.gz FZPGCLUKCQAQOU-GFCCVEGCSA-N 2 2 287.404 -0.474 20 0 CBADLP CC[C@H](C[NH+]1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1)OC ZINC001484310481 917829742 /nfs/dbraw/zinc/82/97/42/917829742.db2.gz NNJQDEHTNWJLLP-QWHCGFSZSA-N 2 2 299.415 -0.474 20 0 CBADLP CC[C@H](C[NH+]1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1)OC ZINC001484310481 917829756 /nfs/dbraw/zinc/82/97/56/917829756.db2.gz NNJQDEHTNWJLLP-QWHCGFSZSA-N 2 2 299.415 -0.474 20 0 CBADLP C[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C[NH2+]CC(N)=O ZINC001484386158 917836706 /nfs/dbraw/zinc/83/67/06/917836706.db2.gz YVMQZZAJQUWLGB-QWRGUYRKSA-N 2 2 279.344 -0.948 20 0 CBADLP NC(=O)C[NH2+]CC[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001484542980 917886818 /nfs/dbraw/zinc/88/68/18/917886818.db2.gz HHIOGSKKOTYFBN-SNVBAGLBSA-N 2 2 279.344 -0.734 20 0 CBADLP CC(C)(C(=O)N1CCO[C@@H](C[NH2+]CCO)C1)c1c[nH+]c[nH]1 ZINC001484697434 917925673 /nfs/dbraw/zinc/92/56/73/917925673.db2.gz VDGKTGNNTFJDPD-NSHDSACASA-N 2 2 296.371 -0.503 20 0 CBADLP C[C@H](C(N)=O)[N@H+](C)CCCN(C)C(=O)Cn1cc[nH+]c1 ZINC001484769794 917935569 /nfs/dbraw/zinc/93/55/69/917935569.db2.gz LPWSPSHQLKJSMR-LLVKDONJSA-N 2 2 281.360 -0.463 20 0 CBADLP C[C@H](C(N)=O)[N@@H+](C)CCCN(C)C(=O)Cn1cc[nH+]c1 ZINC001484769794 917935584 /nfs/dbraw/zinc/93/55/84/917935584.db2.gz LPWSPSHQLKJSMR-LLVKDONJSA-N 2 2 281.360 -0.463 20 0 CBADLP CCNC(=O)C[NH2+][C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C ZINC001484899161 917961707 /nfs/dbraw/zinc/96/17/07/917961707.db2.gz KVSVMJHBAKLQCI-JQWIXIFHSA-N 2 2 293.371 -0.475 20 0 CBADLP C[N@H+](CCO)C[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001485068992 917986725 /nfs/dbraw/zinc/98/67/25/917986725.db2.gz IMCVKYYGPNVDGN-GFCCVEGCSA-N 2 2 266.345 -0.133 20 0 CBADLP C[N@@H+](CCO)C[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001485068992 917986738 /nfs/dbraw/zinc/98/67/38/917986738.db2.gz IMCVKYYGPNVDGN-GFCCVEGCSA-N 2 2 266.345 -0.133 20 0 CBADLP C[C@@H](NC(=O)Cc1c[nH+]cn1C)[C@@H](C)[NH2+]CCO ZINC001485213663 918030132 /nfs/dbraw/zinc/03/01/32/918030132.db2.gz FSCNUUTUOCYRHT-NXEZZACHSA-N 2 2 254.334 -0.562 20 0 CBADLP C[C@H](NC(=O)CCc1c[nH+]cn1C)[C@H](C)[NH2+]CCO ZINC001485219936 918033251 /nfs/dbraw/zinc/03/32/51/918033251.db2.gz MCHBDXRQZNWEHG-QWRGUYRKSA-N 2 2 268.361 -0.172 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)[C@@H](C)[NH2+]CC(N)=O ZINC001485219783 918034727 /nfs/dbraw/zinc/03/47/27/918034727.db2.gz ZTDMCOFQSIPSIA-SFYZADRCSA-N 2 2 267.333 -0.771 20 0 CBADLP C[C@@H](O)C[N@H+](C)[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001485355572 918085351 /nfs/dbraw/zinc/08/53/51/918085351.db2.gz GGEPJXPBIVNHFF-NXEZZACHSA-N 2 2 254.334 -0.231 20 0 CBADLP C[C@@H](O)C[N@@H+](C)[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001485355572 918085362 /nfs/dbraw/zinc/08/53/62/918085362.db2.gz GGEPJXPBIVNHFF-NXEZZACHSA-N 2 2 254.334 -0.231 20 0 CBADLP C[C@@H](O)C[N@H+](C)[C@@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001485355574 918086778 /nfs/dbraw/zinc/08/67/78/918086778.db2.gz GGEPJXPBIVNHFF-VHSXEESVSA-N 2 2 254.334 -0.231 20 0 CBADLP C[C@@H](O)C[N@@H+](C)[C@@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001485355574 918086794 /nfs/dbraw/zinc/08/67/94/918086794.db2.gz GGEPJXPBIVNHFF-VHSXEESVSA-N 2 2 254.334 -0.231 20 0 CBADLP COC[C@H](O)C[N@H+](C)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001485393397 918104968 /nfs/dbraw/zinc/10/49/68/918104968.db2.gz ALJLBNSZIISGJT-VXGBXAGGSA-N 2 2 284.360 -0.673 20 0 CBADLP COC[C@H](O)C[N@@H+](C)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001485393397 918104972 /nfs/dbraw/zinc/10/49/72/918104972.db2.gz ALJLBNSZIISGJT-VXGBXAGGSA-N 2 2 284.360 -0.673 20 0 CBADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[N@H+](C)[C@H]1CCNC1=O ZINC001485394459 918108843 /nfs/dbraw/zinc/10/88/43/918108843.db2.gz GNQGDQRGLYZHDC-QWRGUYRKSA-N 2 2 279.344 -0.792 20 0 CBADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[N@@H+](C)[C@H]1CCNC1=O ZINC001485394459 918108852 /nfs/dbraw/zinc/10/88/52/918108852.db2.gz GNQGDQRGLYZHDC-QWRGUYRKSA-N 2 2 279.344 -0.792 20 0 CBADLP COCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001485626555 918156846 /nfs/dbraw/zinc/15/68/46/918156846.db2.gz AKJWANZWAFZUNY-XYYAHUGASA-N 2 2 278.356 -0.177 20 0 CBADLP COCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001485626555 918156852 /nfs/dbraw/zinc/15/68/52/918156852.db2.gz AKJWANZWAFZUNY-XYYAHUGASA-N 2 2 278.356 -0.177 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001485706501 918171557 /nfs/dbraw/zinc/17/15/57/918171557.db2.gz CHQFSQZBEQSLMY-IJLUTSLNSA-N 2 2 293.371 -0.498 20 0 CBADLP C[C@H](CN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[NH2+]CC(N)=O ZINC001485934040 918236112 /nfs/dbraw/zinc/23/61/12/918236112.db2.gz ZUZFYHLLKFTLEQ-VHSXEESVSA-N 2 2 281.360 -0.490 20 0 CBADLP C[C@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+][C@@H]1CCN(C)C1=O ZINC001485963513 918244414 /nfs/dbraw/zinc/24/44/14/918244414.db2.gz RLLDRLLQZKMNNQ-VXGBXAGGSA-N 2 2 293.371 -0.450 20 0 CBADLP CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001486011553 918300721 /nfs/dbraw/zinc/30/07/21/918300721.db2.gz VSRQEAAYTYAIMI-WDEREUQCSA-N 2 2 266.345 -0.468 20 0 CBADLP Cc1nc(C[NH2+][C@@H](CO)CNC(=O)CC[NH+](C)C)co1 ZINC001486031031 918325112 /nfs/dbraw/zinc/32/51/12/918325112.db2.gz NZYJYAHSYUKLKB-LLVKDONJSA-N 2 2 284.360 -0.499 20 0 CBADLP Cc1nc(C[NH2+][C@@H](CO)CNC(=O)C[N@@H+](C)C(C)C)co1 ZINC001486065807 918353248 /nfs/dbraw/zinc/35/32/48/918353248.db2.gz KPKQPZFRSKRBIP-GFCCVEGCSA-N 2 2 298.387 -0.110 20 0 CBADLP Cc1nc(C[NH2+][C@@H](CO)CNC(=O)C[N@H+](C)C(C)C)co1 ZINC001486065807 918353262 /nfs/dbraw/zinc/35/32/62/918353262.db2.gz KPKQPZFRSKRBIP-GFCCVEGCSA-N 2 2 298.387 -0.110 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001486214120 918386581 /nfs/dbraw/zinc/38/65/81/918386581.db2.gz BJATWQBGFSRWKG-MNOVXSKESA-N 2 2 293.371 -0.678 20 0 CBADLP CN(C[C@H](O)C[NH2+]CC1CC1)C(=O)Cc1c[nH+]c[nH]1 ZINC001486301493 918417593 /nfs/dbraw/zinc/41/75/93/918417593.db2.gz PATLNWPORKDBGB-GFCCVEGCSA-N 2 2 266.345 -0.229 20 0 CBADLP CC[N@H+](C)CCC(=O)N(C)C[C@H]1CC[NH+]1[C@@H](C)C(N)=O ZINC001488676905 918749740 /nfs/dbraw/zinc/74/97/40/918749740.db2.gz LLVPMYRMRVSACK-NWDGAFQWSA-N 2 2 284.404 -0.265 20 0 CBADLP CC[N@@H+](C)CCC(=O)N(C)C[C@H]1CC[NH+]1[C@@H](C)C(N)=O ZINC001488676905 918749746 /nfs/dbraw/zinc/74/97/46/918749746.db2.gz LLVPMYRMRVSACK-NWDGAFQWSA-N 2 2 284.404 -0.265 20 0 CBADLP CC[NH+](C)CCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@@H](C)C(N)=O ZINC001488676905 918749761 /nfs/dbraw/zinc/74/97/61/918749761.db2.gz LLVPMYRMRVSACK-NWDGAFQWSA-N 2 2 284.404 -0.265 20 0 CBADLP CC[NH+](C)CCC(=O)N(C)C[C@H]1CC[N@H+]1[C@@H](C)C(N)=O ZINC001488676905 918749777 /nfs/dbraw/zinc/74/97/77/918749777.db2.gz LLVPMYRMRVSACK-NWDGAFQWSA-N 2 2 284.404 -0.265 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N(C)C[C@@H]1CC[NH+]1CC(=O)N(C)C ZINC001488699118 918756549 /nfs/dbraw/zinc/75/65/49/918756549.db2.gz NGCMMMHJUPSJMD-ZDUSSCGKSA-N 2 2 298.431 -0.053 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H]1CC[NH+]1CC(=O)N(C)C ZINC001488699118 918756566 /nfs/dbraw/zinc/75/65/66/918756566.db2.gz NGCMMMHJUPSJMD-ZDUSSCGKSA-N 2 2 298.431 -0.053 20 0 CBADLP CC(C)[NH+](C)CC(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)N(C)C ZINC001488699118 918756583 /nfs/dbraw/zinc/75/65/83/918756583.db2.gz NGCMMMHJUPSJMD-ZDUSSCGKSA-N 2 2 298.431 -0.053 20 0 CBADLP CC(C)[NH+](C)CC(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)N(C)C ZINC001488699118 918756600 /nfs/dbraw/zinc/75/66/00/918756600.db2.gz NGCMMMHJUPSJMD-ZDUSSCGKSA-N 2 2 298.431 -0.053 20 0 CBADLP C[C@H](O)C[N@@H+]1CC[C@H]1CN(C)C(=O)Cc1c[nH+]cn1C ZINC001488683773 918757501 /nfs/dbraw/zinc/75/75/01/918757501.db2.gz MSQSNUDBOWXLIT-RYUDHWBXSA-N 2 2 280.372 -0.124 20 0 CBADLP C[C@H](O)C[N@H+]1CC[C@H]1CN(C)C(=O)Cc1c[nH+]cn1C ZINC001488683773 918757516 /nfs/dbraw/zinc/75/75/16/918757516.db2.gz MSQSNUDBOWXLIT-RYUDHWBXSA-N 2 2 280.372 -0.124 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NCCC[N@@H+](C)CC(N)=O ZINC001490227059 918871562 /nfs/dbraw/zinc/87/15/62/918871562.db2.gz YPORVSRKABUGQG-UHFFFAOYSA-N 2 2 267.333 -0.885 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NCCC[N@H+](C)CC(N)=O ZINC001490227059 918871606 /nfs/dbraw/zinc/87/16/06/918871606.db2.gz YPORVSRKABUGQG-UHFFFAOYSA-N 2 2 267.333 -0.885 20 0 CBADLP O=C(CCn1cc[nH+]c1)NC[C@H]([NH2+]CCO)C1CC1 ZINC001490691581 918959061 /nfs/dbraw/zinc/95/90/61/918959061.db2.gz KSAIJHPSBKHXAB-LBPRGKRZSA-N 2 2 266.345 -0.250 20 0 CBADLP O=C(NC[C@@H]([NH2+]CCO)C1CC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001490685066 918961326 /nfs/dbraw/zinc/96/13/26/918961326.db2.gz WZLSTOMQYFPWBP-CHWSQXEVSA-N 2 2 292.383 -0.078 20 0 CBADLP C[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001491024659 919007930 /nfs/dbraw/zinc/00/79/30/919007930.db2.gz MJADDPJYQGXSSS-JLLWLGSASA-N 2 2 266.345 -0.040 20 0 CBADLP C[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001491024659 919007941 /nfs/dbraw/zinc/00/79/41/919007941.db2.gz MJADDPJYQGXSSS-JLLWLGSASA-N 2 2 266.345 -0.040 20 0 CBADLP C[NH+](C)CCC(=O)NCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001491411924 919146952 /nfs/dbraw/zinc/14/69/52/919146952.db2.gz PRCXWOVJEUMIKT-GHMZBOCLSA-N 2 2 293.371 -0.303 20 0 CBADLP C[NH+](C)CCC(=O)NCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001491411924 919146962 /nfs/dbraw/zinc/14/69/62/919146962.db2.gz PRCXWOVJEUMIKT-GHMZBOCLSA-N 2 2 293.371 -0.303 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)NCCNC(=O)CC[NH+](C)C ZINC001491511535 919188110 /nfs/dbraw/zinc/18/81/10/919188110.db2.gz RTWCSGOXAWHNQY-UHFFFAOYSA-N 2 2 295.387 -0.463 20 0 CBADLP CCNC(=O)C[NH2+][C@@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001491543485 919198137 /nfs/dbraw/zinc/19/81/37/919198137.db2.gz RCHLLXJSWUHFJZ-NSHDSACASA-N 2 2 281.360 -0.496 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H](C)[NH2+]CC(=O)N(C)C ZINC001491605524 919222915 /nfs/dbraw/zinc/22/29/15/919222915.db2.gz MTRFNSHKRWZQJR-MNOVXSKESA-N 2 2 295.387 -0.229 20 0 CBADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H](C)[NH2+]CC(=O)N(C)C ZINC001491605524 919222925 /nfs/dbraw/zinc/22/29/25/919222925.db2.gz MTRFNSHKRWZQJR-MNOVXSKESA-N 2 2 295.387 -0.229 20 0 CBADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CC(=O)N1CCC1 ZINC001491624826 919237102 /nfs/dbraw/zinc/23/71/02/919237102.db2.gz OCGHFGIHWCQGDO-SNVBAGLBSA-N 2 2 279.344 -0.721 20 0 CBADLP CN(C)C(=O)C[NH2+]C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001491842673 919288435 /nfs/dbraw/zinc/28/84/35/919288435.db2.gz GHOIFHUMUYYMOP-NSHDSACASA-N 2 2 293.371 -0.522 20 0 CBADLP C[C@@H]([NH2+]C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1)C(N)=O ZINC001491844896 919288673 /nfs/dbraw/zinc/28/86/73/919288673.db2.gz XQHMWDHYPTVKQM-NXEZZACHSA-N 2 2 279.344 -0.736 20 0 CBADLP C[C@@H](CCNC(=O)[C@H]1CCn2c[nH+]cc2C1)[NH2+]CCO ZINC001492047395 919317303 /nfs/dbraw/zinc/31/73/03/919317303.db2.gz PIDKOZCSUMMOJM-RYUDHWBXSA-N 2 2 280.372 -0.078 20 0 CBADLP C[C@H](CCNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@@H]1CCNC1=O ZINC001492091730 919322539 /nfs/dbraw/zinc/32/25/39/919322539.db2.gz XHYJVNBOCVDXHW-MWLCHTKSSA-N 2 2 279.344 -0.675 20 0 CBADLP C[C@H](CCNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@H](C)C(N)=O ZINC001492090182 919324649 /nfs/dbraw/zinc/32/46/49/919324649.db2.gz LSXZEGNGWYQEIV-RKDXNWHRSA-N 2 2 267.333 -0.690 20 0 CBADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)[C@H]1CCNC1=O ZINC001492251831 919380164 /nfs/dbraw/zinc/38/01/64/919380164.db2.gz YCMBCZAVKPGXBE-STQMWFEESA-N 2 2 296.415 -0.204 20 0 CBADLP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)[C@H]1CCNC1=O ZINC001492251831 919380176 /nfs/dbraw/zinc/38/01/76/919380176.db2.gz YCMBCZAVKPGXBE-STQMWFEESA-N 2 2 296.415 -0.204 20 0 CBADLP CC(C)[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)[C@H]1CCNC1=O ZINC001492251831 919380185 /nfs/dbraw/zinc/38/01/85/919380185.db2.gz YCMBCZAVKPGXBE-STQMWFEESA-N 2 2 296.415 -0.204 20 0 CBADLP CC(C)[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)[C@H]1CCNC1=O ZINC001492251831 919380203 /nfs/dbraw/zinc/38/02/03/919380203.db2.gz YCMBCZAVKPGXBE-STQMWFEESA-N 2 2 296.415 -0.204 20 0 CBADLP CC[N@H+](CCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21)CC(N)=O ZINC001493028761 919469490 /nfs/dbraw/zinc/46/94/90/919469490.db2.gz GKLFAHCSMSJLIW-QWHCGFSZSA-N 2 2 296.415 -0.073 20 0 CBADLP CC[N@@H+](CCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21)CC(N)=O ZINC001493028761 919469496 /nfs/dbraw/zinc/46/94/96/919469496.db2.gz GKLFAHCSMSJLIW-QWHCGFSZSA-N 2 2 296.415 -0.073 20 0 CBADLP CC[NH+](CCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21)CC(N)=O ZINC001493028761 919469503 /nfs/dbraw/zinc/46/95/03/919469503.db2.gz GKLFAHCSMSJLIW-QWHCGFSZSA-N 2 2 296.415 -0.073 20 0 CBADLP CC[NH+](CCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21)CC(N)=O ZINC001493028761 919469506 /nfs/dbraw/zinc/46/95/06/919469506.db2.gz GKLFAHCSMSJLIW-QWHCGFSZSA-N 2 2 296.415 -0.073 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001493268144 919514186 /nfs/dbraw/zinc/51/41/86/919514186.db2.gz CIPZENOJGXEJHU-NEPJUHHUSA-N 2 2 293.371 -0.544 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001493268144 919514195 /nfs/dbraw/zinc/51/41/95/919514195.db2.gz CIPZENOJGXEJHU-NEPJUHHUSA-N 2 2 293.371 -0.544 20 0 CBADLP CN(CC[NH2+][C@@H]1CCN(C)C1=O)C(=O)CCc1c[nH]c[nH+]1 ZINC001493570324 919582451 /nfs/dbraw/zinc/58/24/51/919582451.db2.gz KKPSONLBWKXTDH-GFCCVEGCSA-N 2 2 293.371 -0.379 20 0 CBADLP CN(CC[NH2+][C@@H]1CCN(C)C1=O)C(=O)CCc1c[nH+]c[nH]1 ZINC001493570324 919582464 /nfs/dbraw/zinc/58/24/64/919582464.db2.gz KKPSONLBWKXTDH-GFCCVEGCSA-N 2 2 293.371 -0.379 20 0 CBADLP O=C(NC1C[NH+](CCOCCO)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001494387591 919693568 /nfs/dbraw/zinc/69/35/68/919693568.db2.gz OZAMWCAIMYIOTP-CQSZACIVSA-N 2 2 297.399 -0.863 20 0 CBADLP COC[C@H](C)[NH+]1CC(NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001494472601 919705443 /nfs/dbraw/zinc/70/54/43/919705443.db2.gz GTMYPEUDEHOTRV-LBPRGKRZSA-N 2 2 299.415 -0.068 20 0 CBADLP CC[C@@H](C(=O)N[C@H]1CC[N@@H+]([C@H](C)C(N)=O)C1)[NH+](C)C ZINC001494726012 919777234 /nfs/dbraw/zinc/77/72/34/919777234.db2.gz OAAXUDPXACKAHR-VWYCJHECSA-N 2 2 270.377 -0.609 20 0 CBADLP CC[C@@H](C(=O)N[C@H]1CC[N@H+]([C@H](C)C(N)=O)C1)[NH+](C)C ZINC001494726012 919777247 /nfs/dbraw/zinc/77/72/47/919777247.db2.gz OAAXUDPXACKAHR-VWYCJHECSA-N 2 2 270.377 -0.609 20 0 CBADLP CC[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+][C@@H]1CCCNC1=O ZINC001495117072 919863379 /nfs/dbraw/zinc/86/33/79/919863379.db2.gz JEOMQYSLZWDZSM-NWDGAFQWSA-N 2 2 293.371 -0.354 20 0 CBADLP CC[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+][C@H]1CCCNC1=O ZINC001495117068 919865689 /nfs/dbraw/zinc/86/56/89/919865689.db2.gz JEOMQYSLZWDZSM-NEPJUHHUSA-N 2 2 293.371 -0.354 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)C[NH2+]Cc1ccon1 ZINC001495635337 919917875 /nfs/dbraw/zinc/91/78/75/919917875.db2.gz PFBWYOWZIAHXDO-YPMHNXCESA-N 2 2 296.371 -0.153 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C[NH2+]Cc1ccon1 ZINC001495635337 919917889 /nfs/dbraw/zinc/91/78/89/919917889.db2.gz PFBWYOWZIAHXDO-YPMHNXCESA-N 2 2 296.371 -0.153 20 0 CBADLP CC(C)(C(=O)NC[C@H]1C[N@H+](CCO)CCO1)[NH+]1CCCC1 ZINC001495860057 919970987 /nfs/dbraw/zinc/97/09/87/919970987.db2.gz NZEPKMUZYJILCG-ZDUSSCGKSA-N 2 2 299.415 -0.330 20 0 CBADLP CC(C)(C(=O)NC[C@H]1C[N@@H+](CCO)CCO1)[NH+]1CCCC1 ZINC001495860057 919971003 /nfs/dbraw/zinc/97/10/03/919971003.db2.gz NZEPKMUZYJILCG-ZDUSSCGKSA-N 2 2 299.415 -0.330 20 0 CBADLP CCC[N@@H+]1CCO[C@@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001495875274 919973806 /nfs/dbraw/zinc/97/38/06/919973806.db2.gz WFVNVEKWQVWGRE-AWEZNQCLSA-N 2 2 299.415 -0.064 20 0 CBADLP CCC[N@H+]1CCO[C@@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001495875274 919973816 /nfs/dbraw/zinc/97/38/16/919973816.db2.gz WFVNVEKWQVWGRE-AWEZNQCLSA-N 2 2 299.415 -0.064 20 0 CBADLP C[C@H](C[NH2+]Cc1nncn1C)N(C)C(=O)Cn1cc[nH+]c1 ZINC001496243227 920050844 /nfs/dbraw/zinc/05/08/44/920050844.db2.gz KEENBPJFNCGJLC-LLVKDONJSA-N 2 2 291.359 -0.352 20 0 CBADLP CNC(=O)C[NH2+]C[C@H](CC(C)C)NC(=O)Cn1cc[nH+]c1 ZINC001496302487 920056495 /nfs/dbraw/zinc/05/64/95/920056495.db2.gz ZVPXYAQNQFZYBA-LBPRGKRZSA-N 2 2 295.387 -0.250 20 0 CBADLP C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)[C@H]1C[NH2+]CC(N)=O ZINC001496492704 920075636 /nfs/dbraw/zinc/07/56/36/920075636.db2.gz XUVUKMQDJHKTHG-NEPJUHHUSA-N 2 2 293.371 -0.415 20 0 CBADLP CC(C)[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CC(=O)N(C)C ZINC001496643686 920101657 /nfs/dbraw/zinc/10/16/57/920101657.db2.gz VGAIYPNLJZKGHD-LBPRGKRZSA-N 2 2 295.387 -0.298 20 0 CBADLP CN(CC[N@H+](C)CC(=O)NC1CC1)C(=O)[C@@H]1CCC[NH+]1C ZINC001496677709 920108867 /nfs/dbraw/zinc/10/88/67/920108867.db2.gz PXWMZAZZVFWVRA-ZDUSSCGKSA-N 2 2 296.415 -0.251 20 0 CBADLP CN(CC[N@@H+](C)CC(=O)NC1CC1)C(=O)[C@@H]1CCC[NH+]1C ZINC001496677709 920108878 /nfs/dbraw/zinc/10/88/78/920108878.db2.gz PXWMZAZZVFWVRA-ZDUSSCGKSA-N 2 2 296.415 -0.251 20 0 CBADLP CN(CC[NH+](C)CC(=O)NC1CC1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001496677709 920108889 /nfs/dbraw/zinc/10/88/89/920108889.db2.gz PXWMZAZZVFWVRA-ZDUSSCGKSA-N 2 2 296.415 -0.251 20 0 CBADLP CN(CC[NH+](C)CC(=O)NC1CC1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001496677709 920108894 /nfs/dbraw/zinc/10/88/94/920108894.db2.gz PXWMZAZZVFWVRA-ZDUSSCGKSA-N 2 2 296.415 -0.251 20 0 CBADLP CN(CC[N@H+](C)CC(N)=O)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001496816014 920132856 /nfs/dbraw/zinc/13/28/56/920132856.db2.gz ATHPWEVYEVWIBZ-STQMWFEESA-N 2 2 298.431 -0.018 20 0 CBADLP CN(CC[N@@H+](C)CC(N)=O)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001496816014 920132862 /nfs/dbraw/zinc/13/28/62/920132862.db2.gz ATHPWEVYEVWIBZ-STQMWFEESA-N 2 2 298.431 -0.018 20 0 CBADLP CCNC(=O)C[N@H+](C)CCN(C)C(=O)C[NH+](C)C(C)C ZINC001496843733 920140968 /nfs/dbraw/zinc/14/09/68/920140968.db2.gz DADMYBYOBXCSCU-UHFFFAOYSA-N 2 2 286.420 -0.147 20 0 CBADLP CCNC(=O)C[N@@H+](C)CCN(C)C(=O)C[NH+](C)C(C)C ZINC001496843733 920140981 /nfs/dbraw/zinc/14/09/81/920140981.db2.gz DADMYBYOBXCSCU-UHFFFAOYSA-N 2 2 286.420 -0.147 20 0 CBADLP CCNC(=O)C[NH+](C)CCN(C)C(=O)C[N@H+](C)C(C)C ZINC001496843733 920140993 /nfs/dbraw/zinc/14/09/93/920140993.db2.gz DADMYBYOBXCSCU-UHFFFAOYSA-N 2 2 286.420 -0.147 20 0 CBADLP CCNC(=O)C[NH+](C)CCN(C)C(=O)C[N@@H+](C)C(C)C ZINC001496843733 920141000 /nfs/dbraw/zinc/14/10/00/920141000.db2.gz DADMYBYOBXCSCU-UHFFFAOYSA-N 2 2 286.420 -0.147 20 0 CBADLP C[C@@H](O)C[NH2+]CC[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001497300273 920282979 /nfs/dbraw/zinc/28/29/79/920282979.db2.gz XNKVVQUAHPMASJ-NXEZZACHSA-N 2 2 254.334 -0.183 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]C/C=C/CNC(=O)CCc1c[nH]c[nH+]1 ZINC001497594709 920350656 /nfs/dbraw/zinc/35/06/56/920350656.db2.gz DGKYGLGFWGAGNH-PGLGOXFNSA-N 2 2 293.371 -0.261 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[NH2+]Cc1nnnn1C ZINC001497857184 920411728 /nfs/dbraw/zinc/41/17/28/920411728.db2.gz SBOWRTXUQUBZCV-SECBINFHSA-N 2 2 292.347 -0.990 20 0 CBADLP C[C@H](C[NH2+]CCS(C)(=O)=O)NC(=O)Cc1[nH]cc[nH+]1 ZINC001497946944 920426376 /nfs/dbraw/zinc/42/63/76/920426376.db2.gz CEZQTUCEFQJGHV-SECBINFHSA-N 2 2 288.373 -0.909 20 0 CBADLP C[C@@H](C[NH2+][C@@H]1CCNC1=O)NC(=O)CCc1c[nH]c[nH+]1 ZINC001498052391 920462439 /nfs/dbraw/zinc/46/24/39/920462439.db2.gz SSGUISKXQYHBOX-GXSJLCMTSA-N 2 2 279.344 -0.675 20 0 CBADLP C[C@@H](C[NH2+][C@@H]1CCNC1=O)NC(=O)CCc1c[nH+]c[nH]1 ZINC001498052391 920462448 /nfs/dbraw/zinc/46/24/48/920462448.db2.gz SSGUISKXQYHBOX-GXSJLCMTSA-N 2 2 279.344 -0.675 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001498202999 920513953 /nfs/dbraw/zinc/51/39/53/920513953.db2.gz MLCZTKGQACGZAG-NWDGAFQWSA-N 2 2 295.387 -0.108 20 0 CBADLP C[NH+](C)CCC(=O)NC1CN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001498391947 920572637 /nfs/dbraw/zinc/57/26/37/920572637.db2.gz ZRRBQHHFXLJXNU-UHFFFAOYSA-N 2 2 293.371 -0.379 20 0 CBADLP C[NH+](C)CCC(=O)NC1CN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001498391947 920572644 /nfs/dbraw/zinc/57/26/44/920572644.db2.gz ZRRBQHHFXLJXNU-UHFFFAOYSA-N 2 2 293.371 -0.379 20 0 CBADLP CNC(=O)[C@H](C)[N@H+](C)C[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001498424552 920584163 /nfs/dbraw/zinc/58/41/63/920584163.db2.gz GLHPIFBPGMWUMJ-QWRGUYRKSA-N 2 2 295.387 -0.466 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+](C)C[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001498424552 920584174 /nfs/dbraw/zinc/58/41/74/920584174.db2.gz GLHPIFBPGMWUMJ-QWRGUYRKSA-N 2 2 295.387 -0.466 20 0 CBADLP CNC(=O)[C@H](C)[N@H+](C)C[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001498424551 920585717 /nfs/dbraw/zinc/58/57/17/920585717.db2.gz GLHPIFBPGMWUMJ-MNOVXSKESA-N 2 2 295.387 -0.466 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001498424551 920585728 /nfs/dbraw/zinc/58/57/28/920585728.db2.gz GLHPIFBPGMWUMJ-MNOVXSKESA-N 2 2 295.387 -0.466 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]CCCN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001498558165 920608380 /nfs/dbraw/zinc/60/83/80/920608380.db2.gz CPBMTZVYIYTCJI-NSHDSACASA-N 2 2 295.387 -0.085 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]CCCN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001498558165 920608394 /nfs/dbraw/zinc/60/83/94/920608394.db2.gz CPBMTZVYIYTCJI-NSHDSACASA-N 2 2 295.387 -0.085 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C[NH2+]CCF)C2CC2)C1 ZINC001498744324 920631575 /nfs/dbraw/zinc/63/15/75/920631575.db2.gz CJKFQPCBNFHHII-NWDGAFQWSA-N 2 2 273.352 -0.229 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H](C[NH2+]CCF)C2CC2)C1 ZINC001498744324 920631587 /nfs/dbraw/zinc/63/15/87/920631587.db2.gz CJKFQPCBNFHHII-NWDGAFQWSA-N 2 2 273.352 -0.229 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N[C@H](C[NH2+]CCF)C2CC2)C1 ZINC001498744322 920633136 /nfs/dbraw/zinc/63/31/36/920633136.db2.gz CJKFQPCBNFHHII-NEPJUHHUSA-N 2 2 273.352 -0.229 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N[C@H](C[NH2+]CCF)C2CC2)C1 ZINC001498744322 920633147 /nfs/dbraw/zinc/63/31/47/920633147.db2.gz CJKFQPCBNFHHII-NEPJUHHUSA-N 2 2 273.352 -0.229 20 0 CBADLP O=C(CCn1cc[nH+]c1)NC[C@@H]1CC[N@H+]1CCCO ZINC001499032021 920686621 /nfs/dbraw/zinc/68/66/21/920686621.db2.gz ZKFFXZHCNWENMO-LBPRGKRZSA-N 2 2 266.345 -0.154 20 0 CBADLP O=C(CCn1cc[nH+]c1)NC[C@@H]1CC[N@@H+]1CCCO ZINC001499032021 920686632 /nfs/dbraw/zinc/68/66/32/920686632.db2.gz ZKFFXZHCNWENMO-LBPRGKRZSA-N 2 2 266.345 -0.154 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+]1CC[C@](C)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001500296745 920828656 /nfs/dbraw/zinc/82/86/56/920828656.db2.gz WSCUXBLUPVASHE-FZMZJTMJSA-N 2 2 293.371 -0.402 20 0 CBADLP CNC(=O)[C@H](C)[N@H+]1CC[C@](C)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001500296745 920828673 /nfs/dbraw/zinc/82/86/73/920828673.db2.gz WSCUXBLUPVASHE-FZMZJTMJSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@H](F)CC[NH+]1CC(O)(CNC(=O)CC[NH+](C)C)C1 ZINC001500914781 920917965 /nfs/dbraw/zinc/91/79/65/920917965.db2.gz IIOYBQXTXAVNCQ-NSHDSACASA-N 2 2 275.368 -0.151 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)C[NH+](C)C2CCC2)CCC[N@@H+]1CC(N)=O ZINC001507376427 921817633 /nfs/dbraw/zinc/81/76/33/921817633.db2.gz PZOGIUNNYTWWBB-YPMHNXCESA-N 2 2 296.415 -0.075 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)C[NH+](C)C2CCC2)CCC[N@H+]1CC(N)=O ZINC001507376427 921817642 /nfs/dbraw/zinc/81/76/42/921817642.db2.gz PZOGIUNNYTWWBB-YPMHNXCESA-N 2 2 296.415 -0.075 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)C[N@H+](C)C2CCC2)CCC[NH+]1CC(N)=O ZINC001507376427 921817653 /nfs/dbraw/zinc/81/76/53/921817653.db2.gz PZOGIUNNYTWWBB-YPMHNXCESA-N 2 2 296.415 -0.075 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)C[N@@H+](C)C2CCC2)CCC[NH+]1CC(N)=O ZINC001507376427 921817666 /nfs/dbraw/zinc/81/76/66/921817666.db2.gz PZOGIUNNYTWWBB-YPMHNXCESA-N 2 2 296.415 -0.075 20 0 CBADLP C[C@@H](O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001507742149 921898481 /nfs/dbraw/zinc/89/84/81/921898481.db2.gz KXYHYIHVSQLKMF-VXGBXAGGSA-N 2 2 284.360 -0.985 20 0 CBADLP C[C@@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001507742149 921898496 /nfs/dbraw/zinc/89/84/96/921898496.db2.gz KXYHYIHVSQLKMF-VXGBXAGGSA-N 2 2 284.360 -0.985 20 0 CBADLP COC[C@H]1C[NH2+]CCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001514597933 922210520 /nfs/dbraw/zinc/21/05/20/922210520.db2.gz VFMYDALUAMNWEC-SNVBAGLBSA-N 2 2 252.318 -0.293 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@]1(C)C[C@@H](O)C[NH2+]1 ZINC001521444959 922355530 /nfs/dbraw/zinc/35/55/30/922355530.db2.gz AXLHAVAODIWTOY-FOGDFJRCSA-N 2 2 252.318 -0.499 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001521438770 922356529 /nfs/dbraw/zinc/35/65/29/922356529.db2.gz GWZCHTLMZUYYNV-WUHRBBMRSA-N 2 2 267.373 -0.036 20 0 CBADLP CC(C)(C(=O)N1CCC(O)(C[NH3+])CC1)c1c[nH+]c[nH]1 ZINC001521713177 922376330 /nfs/dbraw/zinc/37/63/30/922376330.db2.gz RSDAHROMSFFCLB-UHFFFAOYSA-N 2 2 266.345 -0.001 20 0 CBADLP CC1(C)CN(C(=O)c2n[nH]c3c2C[NH2+]CC3)C[C@H]1[NH3+] ZINC001522708408 922508443 /nfs/dbraw/zinc/50/84/43/922508443.db2.gz SDRYYAKUQUZWDY-SNVBAGLBSA-N 2 2 263.345 -0.135 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NCCCNC(=O)C[NH+]1CCCC1 ZINC001522921293 922550008 /nfs/dbraw/zinc/55/00/08/922550008.db2.gz JTGVMPDWHBGLSO-UHFFFAOYSA-N 2 2 293.371 -0.330 20 0 CBADLP C[NH2+]C[C@H](C)C(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC001524028541 922614841 /nfs/dbraw/zinc/61/48/41/922614841.db2.gz CFKFMTFTWWYTQB-SRVKXCTJSA-N 2 2 256.394 -0.408 20 0 CBADLP C[NH2+]C[C@H](C)C(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC001524028541 922614848 /nfs/dbraw/zinc/61/48/48/922614848.db2.gz CFKFMTFTWWYTQB-SRVKXCTJSA-N 2 2 256.394 -0.408 20 0 CBADLP CN(CCNC(=O)CCn1cc[nH+]c1)C(=O)CC[NH+](C)C ZINC001528452510 922822602 /nfs/dbraw/zinc/82/26/02/922822602.db2.gz WEVOEBNUAYPDLL-UHFFFAOYSA-N 2 2 295.387 -0.201 20 0 CBADLP CC[N@@H+]1CC[C@H]1C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC001542651510 923272232 /nfs/dbraw/zinc/27/22/32/923272232.db2.gz WSPRJUDBWAZRNL-LBPRGKRZSA-N 2 2 269.389 -0.004 20 0 CBADLP CC[N@H+]1CC[C@H]1C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC001542651510 923272243 /nfs/dbraw/zinc/27/22/43/923272243.db2.gz WSPRJUDBWAZRNL-LBPRGKRZSA-N 2 2 269.389 -0.004 20 0 CBADLP CC[N@@H+]1CC[C@@H]1C(=O)N[C@@H](C)[C@@H]1C[NH+](C)CCN1C ZINC001544138704 923299663 /nfs/dbraw/zinc/29/96/63/923299663.db2.gz DPMNEDVLSXWLGU-XQQFMLRXSA-N 2 2 268.405 -0.169 20 0 CBADLP CC[N@H+]1CC[C@@H]1C(=O)N[C@@H](C)[C@@H]1C[NH+](C)CCN1C ZINC001544138704 923299678 /nfs/dbraw/zinc/29/96/78/923299678.db2.gz DPMNEDVLSXWLGU-XQQFMLRXSA-N 2 2 268.405 -0.169 20 0 CBADLP CC[NH+]1CC[C@@H]1C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC001544138704 923299697 /nfs/dbraw/zinc/29/96/97/923299697.db2.gz DPMNEDVLSXWLGU-XQQFMLRXSA-N 2 2 268.405 -0.169 20 0 CBADLP CC[NH+]1CC[C@@H]1C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC001544138704 923299713 /nfs/dbraw/zinc/29/97/13/923299713.db2.gz DPMNEDVLSXWLGU-XQQFMLRXSA-N 2 2 268.405 -0.169 20 0 CBADLP CC[C@H](CO)[NH+]1CCN(c2cc(N)[nH+]cn2)CC1 ZINC001548511552 923362142 /nfs/dbraw/zinc/36/21/42/923362142.db2.gz MBGZMPYVZFUMEN-SNVBAGLBSA-N 2 2 251.334 -0.048 20 0 CBADLP O=C(NCCn1cc[nH+]c1)C1=NOC2(C1)CC[NH2+]CC2 ZINC001548549756 923374622 /nfs/dbraw/zinc/37/46/22/923374622.db2.gz LFUKCNGDTAXEER-UHFFFAOYSA-N 2 2 277.328 -0.102 20 0 CBADLP CN1CC[NH2+]C[C@H]1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC001548548974 923376597 /nfs/dbraw/zinc/37/65/97/923376597.db2.gz QVFPFDNSVUGPJR-ZDUSSCGKSA-N 2 2 291.399 -0.218 20 0 CBADLP [NH3+]C[C@H](O)CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001548570392 923395091 /nfs/dbraw/zinc/39/50/91/923395091.db2.gz FWFYLVJQWATPKE-RYUDHWBXSA-N 2 2 271.361 -0.934 20 0 CBADLP [NH3+]C[C@H](O)CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001548570392 923395103 /nfs/dbraw/zinc/39/51/03/923395103.db2.gz FWFYLVJQWATPKE-RYUDHWBXSA-N 2 2 271.361 -0.934 20 0 CBADLP O=C(N[C@H]1C[NH2+]C[C@H]1O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC001548573251 923396652 /nfs/dbraw/zinc/39/66/52/923396652.db2.gz VXQOATYSAQRJDR-UONOGXRCSA-N 2 2 286.335 -0.006 20 0 CBADLP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CC[NH+](C)CC1(C)C ZINC001548679479 923443384 /nfs/dbraw/zinc/44/33/84/923443384.db2.gz RGPSEXPCSOVYQV-CHWSQXEVSA-N 2 2 280.416 -0.073 20 0 CBADLP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CC[NH+](C)CC1(C)C ZINC001548679479 923443393 /nfs/dbraw/zinc/44/33/93/923443393.db2.gz RGPSEXPCSOVYQV-CHWSQXEVSA-N 2 2 280.416 -0.073 20 0 CBADLP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)N1CC[N@H+](C)CC1(C)C ZINC001548679479 923443407 /nfs/dbraw/zinc/44/34/07/923443407.db2.gz RGPSEXPCSOVYQV-CHWSQXEVSA-N 2 2 280.416 -0.073 20 0 CBADLP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)N1CC[N@@H+](C)CC1(C)C ZINC001548679479 923443418 /nfs/dbraw/zinc/44/34/18/923443418.db2.gz RGPSEXPCSOVYQV-CHWSQXEVSA-N 2 2 280.416 -0.073 20 0 CBADLP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CC[NH+](C)CC1(C)C ZINC001548679679 923444176 /nfs/dbraw/zinc/44/41/76/923444176.db2.gz RGPSEXPCSOVYQV-QWHCGFSZSA-N 2 2 280.416 -0.073 20 0 CBADLP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CC[NH+](C)CC1(C)C ZINC001548679679 923444186 /nfs/dbraw/zinc/44/41/86/923444186.db2.gz RGPSEXPCSOVYQV-QWHCGFSZSA-N 2 2 280.416 -0.073 20 0 CBADLP C[C@H]1CN2CC[NH+]1C[C@@H]2C(=O)N1CC[N@H+](C)CC1(C)C ZINC001548679679 923444196 /nfs/dbraw/zinc/44/41/96/923444196.db2.gz RGPSEXPCSOVYQV-QWHCGFSZSA-N 2 2 280.416 -0.073 20 0 CBADLP C[C@H]1CN2CC[NH+]1C[C@@H]2C(=O)N1CC[N@@H+](C)CC1(C)C ZINC001548679679 923444210 /nfs/dbraw/zinc/44/42/10/923444210.db2.gz RGPSEXPCSOVYQV-QWHCGFSZSA-N 2 2 280.416 -0.073 20 0 CBADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1C[NH+]2CCN1C[C@H]2C ZINC001548711052 923465439 /nfs/dbraw/zinc/46/54/39/923465439.db2.gz QMCFQJXUIHWODX-MCIONIFRSA-N 2 2 280.416 -0.073 20 0 CBADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1C[NH+]2CCN1C[C@H]2C ZINC001548711052 923465449 /nfs/dbraw/zinc/46/54/49/923465449.db2.gz QMCFQJXUIHWODX-MCIONIFRSA-N 2 2 280.416 -0.073 20 0 CBADLP CC[C@@H]1C[NH+](C)CCN1C(=O)[C@@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001548711052 923465458 /nfs/dbraw/zinc/46/54/58/923465458.db2.gz QMCFQJXUIHWODX-MCIONIFRSA-N 2 2 280.416 -0.073 20 0 CBADLP CC[C@@H]1C[NH+](C)CCN1C(=O)[C@@H]1C[N@H+]2CCN1C[C@H]2C ZINC001548711052 923465466 /nfs/dbraw/zinc/46/54/66/923465466.db2.gz QMCFQJXUIHWODX-MCIONIFRSA-N 2 2 280.416 -0.073 20 0 CBADLP CC[N@@H+]1CCN(C(=O)[C@@H]2C[NH+]3CCN2C[C@H]3C)[C@H](C)C1 ZINC001548703592 923466336 /nfs/dbraw/zinc/46/63/36/923466336.db2.gz GAGZYRKEFUKYEG-MCIONIFRSA-N 2 2 280.416 -0.073 20 0 CBADLP CC[N@H+]1CCN(C(=O)[C@@H]2C[NH+]3CCN2C[C@H]3C)[C@H](C)C1 ZINC001548703592 923466347 /nfs/dbraw/zinc/46/63/47/923466347.db2.gz GAGZYRKEFUKYEG-MCIONIFRSA-N 2 2 280.416 -0.073 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H]2C[N@@H+]3CCN2C[C@H]3C)[C@H](C)C1 ZINC001548703592 923466361 /nfs/dbraw/zinc/46/63/61/923466361.db2.gz GAGZYRKEFUKYEG-MCIONIFRSA-N 2 2 280.416 -0.073 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H]2C[N@H+]3CCN2C[C@H]3C)[C@H](C)C1 ZINC001548703592 923466370 /nfs/dbraw/zinc/46/63/70/923466370.db2.gz GAGZYRKEFUKYEG-MCIONIFRSA-N 2 2 280.416 -0.073 20 0 CBADLP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCCc1cn(C)c[nH+]1 ZINC001548719387 923475999 /nfs/dbraw/zinc/47/59/99/923475999.db2.gz QUVDLLAVIFUPGG-AAEUAGOBSA-N 2 2 277.372 -0.533 20 0 CBADLP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCCc1cn(C)c[nH+]1 ZINC001548719387 923476010 /nfs/dbraw/zinc/47/60/10/923476010.db2.gz QUVDLLAVIFUPGG-AAEUAGOBSA-N 2 2 277.372 -0.533 20 0 CBADLP C[NH+](C)C[C@@]1(O)CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001548745367 923490372 /nfs/dbraw/zinc/49/03/72/923490372.db2.gz PCQUSVXOBGLEBI-WFASDCNBSA-N 2 2 292.383 -0.030 20 0 CBADLP C[C@H](NC(=O)C[N@@H+]1C[C@H]2CCC[C@]2(C[NH3+])C1)C(=O)N(C)C ZINC001549116692 923557317 /nfs/dbraw/zinc/55/73/17/923557317.db2.gz OARUSRYTRQSOJY-ZOWXZIJZSA-N 2 2 296.415 -0.360 20 0 CBADLP C[C@H](NC(=O)C[N@H+]1C[C@H]2CCC[C@]2(C[NH3+])C1)C(=O)N(C)C ZINC001549116692 923557329 /nfs/dbraw/zinc/55/73/29/923557329.db2.gz OARUSRYTRQSOJY-ZOWXZIJZSA-N 2 2 296.415 -0.360 20 0 CBADLP Cn1cc(O[C@@H]2C[N@H+](CCc3c[nH+]cn3C)C[C@@H]2O)cn1 ZINC001549599961 923607520 /nfs/dbraw/zinc/60/75/20/923607520.db2.gz YYIXBJYUWFKUMZ-UONOGXRCSA-N 2 2 291.355 -0.180 20 0 CBADLP Cn1cc(O[C@@H]2C[N@@H+](CCc3c[nH+]cn3C)C[C@@H]2O)cn1 ZINC001549599961 923607529 /nfs/dbraw/zinc/60/75/29/923607529.db2.gz YYIXBJYUWFKUMZ-UONOGXRCSA-N 2 2 291.355 -0.180 20 0 CBADLP C[NH+](C)[C@H]1CN(CC[NH+]2CCOCC2)C[C@@H]1n1ccnn1 ZINC001549604618 923612606 /nfs/dbraw/zinc/61/26/06/923612606.db2.gz CSQBEUNXKJMTAS-KBPBESRZSA-N 2 2 294.403 -0.603 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)NCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001549883801 923644372 /nfs/dbraw/zinc/64/43/72/923644372.db2.gz SYSJUBVMVPUXKB-YOGCLGLASA-N 2 2 280.372 -0.935 20 0 CBADLP COc1c(N)[nH+]cnc1N1CC[C@@H](N2CC[NH+](C)CC2)C1 ZINC001549906224 923647700 /nfs/dbraw/zinc/64/77/00/923647700.db2.gz PHQXFWDAOXEWJY-LLVKDONJSA-N 2 2 292.387 -0.107 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]([NH3+])[C@H](c2cnn(C)c2)C1 ZINC001550068311 923667695 /nfs/dbraw/zinc/66/76/95/923667695.db2.gz YZQXNVAUEIGSMC-RYUDHWBXSA-N 2 2 288.355 -0.053 20 0 CBADLP [NH3+][C@H]1C[C@@H]1c1ccc(NC(=O)CN2CC[NH2+]CC2=O)cc1 ZINC001550091267 923674392 /nfs/dbraw/zinc/67/43/92/923674392.db2.gz CGIGFEFKEHMQAT-OLZOCXBDSA-N 2 2 288.351 -0.129 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC001550735248 923743310 /nfs/dbraw/zinc/74/33/10/923743310.db2.gz KGXYUNHOFOBMGE-UHFFFAOYSA-N 3 2 281.404 -0.539 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC001550743952 923744173 /nfs/dbraw/zinc/74/41/73/923744173.db2.gz HBONERRDJPONNG-CYBMUJFWSA-N 3 2 295.431 -0.007 20 0 CBADLP CNC(=O)[C@@]12C[N@H+](C[C@@H]3C[NH2+]CCO3)C[C@H]1COCC2 ZINC001551407115 923775077 /nfs/dbraw/zinc/77/50/77/923775077.db2.gz FUSCAYAOCCPUHJ-OBJOEFQTSA-N 2 2 283.372 -0.941 20 0 CBADLP CNC(=O)[C@@]12C[N@@H+](C[C@@H]3C[NH2+]CCO3)C[C@H]1COCC2 ZINC001551407115 923775088 /nfs/dbraw/zinc/77/50/88/923775088.db2.gz FUSCAYAOCCPUHJ-OBJOEFQTSA-N 2 2 283.372 -0.941 20 0 CBADLP C[C@@H](CNC(=O)NC1CC2(C[C@@H]2[NH3+])C1)[NH+]1CCOCC1 ZINC001551579495 923804958 /nfs/dbraw/zinc/80/49/58/923804958.db2.gz CADMOXLWDBUMGE-ATWGWHJKSA-N 2 2 282.388 -0.114 20 0 CBADLP C[N@@H+]1CCO[C@@H]2CCN(C(=O)NC3CC4(C[C@@H]4[NH3+])C3)C[C@@H]21 ZINC001551572725 923806219 /nfs/dbraw/zinc/80/62/19/923806219.db2.gz CBLIKQWRROQPMA-UOQZBTRHSA-N 2 2 294.399 -0.019 20 0 CBADLP C[N@H+]1CCO[C@@H]2CCN(C(=O)NC3CC4(C[C@@H]4[NH3+])C3)C[C@@H]21 ZINC001551572725 923806228 /nfs/dbraw/zinc/80/62/28/923806228.db2.gz CBLIKQWRROQPMA-UOQZBTRHSA-N 2 2 294.399 -0.019 20 0 CBADLP O=C(NCCc1[nH]cc[nH+]1)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001552167433 923844331 /nfs/dbraw/zinc/84/43/31/923844331.db2.gz MPIZLBGKDWTTKG-SECBINFHSA-N 2 2 275.316 -0.492 20 0 CBADLP O=C(N[C@@H]1C[NH2+]CC(F)(F)C1)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552204629 923866523 /nfs/dbraw/zinc/86/65/23/923866523.db2.gz STNDGLMUIAJNMD-YWVKMMECSA-N 2 2 275.299 -0.664 20 0 CBADLP O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)N[C@H]1C[NH2+]C[C@H]1F ZINC001552356160 923890784 /nfs/dbraw/zinc/89/07/84/923890784.db2.gz UAUNPPHHBMIYIU-KXNHARMFSA-N 2 2 286.351 -0.541 20 0 CBADLP O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)N[C@H]1C[NH2+]C[C@H]1F ZINC001552356160 923890795 /nfs/dbraw/zinc/89/07/95/923890795.db2.gz UAUNPPHHBMIYIU-KXNHARMFSA-N 2 2 286.351 -0.541 20 0 CBADLP O=C([C@@H]1CCCC[NH2+]C1)N1CC[NH+](CCO)CC1 ZINC001552426070 923901058 /nfs/dbraw/zinc/90/10/58/923901058.db2.gz GCVCSHQGGGKISG-GFCCVEGCSA-N 2 2 255.362 -0.487 20 0 CBADLP C[NH+]1CCN(C(=O)c2cnnn2C2CC[NH2+]CC2)CC1 ZINC001552436343 923904818 /nfs/dbraw/zinc/90/48/18/923904818.db2.gz GLNQEJZUKIVRHG-UHFFFAOYSA-N 2 2 278.360 -0.410 20 0 CBADLP c1nn2c(c1C[NH+]1CCN([C@@H]3CC[NH2+]C3)CC1)C[NH2+]CC2 ZINC001552687763 923915782 /nfs/dbraw/zinc/91/57/82/923915782.db2.gz ZDPZJNFAEXUZLF-CQSZACIVSA-N 3 2 290.415 -0.534 20 0 CBADLP C[C@]1([NH3+])CCN(C(=O)[C@@H]2CC[C@@H](C[NH+]3CCOCC3)O2)C1 ZINC001553035304 923935615 /nfs/dbraw/zinc/93/56/15/923935615.db2.gz OXERSSKMNBKSSF-YDHLFZDLSA-N 2 2 297.399 -0.184 20 0 CBADLP C[C@H](C[NH+](C)C)NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001553144667 923942203 /nfs/dbraw/zinc/94/22/03/923942203.db2.gz HUAOUIVAIWDRBP-MCIONIFRSA-N 2 2 299.415 -0.068 20 0 CBADLP C[NH2+]CCNC(=O)[C@H]1CC[C@@H](C[NH+]2CCOCC2)O1 ZINC001553353838 923957798 /nfs/dbraw/zinc/95/77/98/923957798.db2.gz IKJSWYNDJGZFLT-NWDGAFQWSA-N 2 2 271.361 -0.798 20 0 CBADLP C[C@H](C[NH3+])N(C)C(=O)[C@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001553355274 923958288 /nfs/dbraw/zinc/95/82/88/923958288.db2.gz NGTIKOQCAHPUPG-JHJVBQTASA-N 2 2 285.388 -0.328 20 0 CBADLP C[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1CC[C@@H](C[NH+]2CCOCC2)O1 ZINC001553360365 923964372 /nfs/dbraw/zinc/96/43/72/923964372.db2.gz VZTMAXVYUIJCGO-RDBSUJKOSA-N 2 2 297.399 -0.314 20 0 CBADLP [NH3+]C[C@H](NC(=O)[C@@H]1CC[C@@H](C[NH+]2CCOCC2)O1)C1CC1 ZINC001553360153 923965393 /nfs/dbraw/zinc/96/53/93/923965393.db2.gz ZEZCXJMUXDLWFF-IHRRRGAJSA-N 2 2 297.399 -0.280 20 0 CBADLP [NH3+]C[C@@H]1CCCN1C(=O)[C@@H]1CC[C@@H](C[NH+]2CCOCC2)O1 ZINC001553360333 923965925 /nfs/dbraw/zinc/96/59/25/923965925.db2.gz XCDZUWXGQCVPNW-IHRRRGAJSA-N 2 2 297.399 -0.184 20 0 CBADLP O=C(N[C@@H]1C[NH2+]CC(F)(F)C1)[C@@H]1C[C@H]2OCC[C@@H]2[NH2+]1 ZINC001553407556 923979935 /nfs/dbraw/zinc/97/99/35/923979935.db2.gz HJPYEKSERCNAMM-AATLWQCWSA-N 2 2 275.299 -0.381 20 0 CBADLP O=C([C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001553406188 923982029 /nfs/dbraw/zinc/98/20/29/923982029.db2.gz DJWQMIMBJHEVRV-RFGFWPKPSA-N 2 2 295.383 -0.561 20 0 CBADLP C[C@H](NC(=O)[C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1)[C@H](C)[NH+]1CCOCC1 ZINC001553419122 923990192 /nfs/dbraw/zinc/99/01/92/923990192.db2.gz ZCRFPGBFODACPV-PEDHHIEDSA-N 2 2 297.399 -0.269 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)[C@@H](C)CO1 ZINC001553424537 923993408 /nfs/dbraw/zinc/99/34/08/923993408.db2.gz PQDBGWUECRRMBM-NDKCEZKHSA-N 2 2 297.399 -0.269 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)[C@@H](C)CO1 ZINC001553424537 923993418 /nfs/dbraw/zinc/99/34/18/923993418.db2.gz PQDBGWUECRRMBM-NDKCEZKHSA-N 2 2 297.399 -0.269 20 0 CBADLP O=C(N[C@@H]1CCc2[nH+]ccn2C1)[C@@H]1C[C@H]2OCC[C@@H]2[NH2+]1 ZINC001553427250 923994997 /nfs/dbraw/zinc/99/49/97/923994997.db2.gz HKDDNMWDYWXXMI-NOOOWODRSA-N 2 2 276.340 -0.167 20 0 CBADLP C[C@H](CNC(=O)N1C[C@H]2CC[C@]2([NH3+])C1)[NH+]1CCOCC1 ZINC001553429605 923996253 /nfs/dbraw/zinc/99/62/53/923996253.db2.gz XCMLSJIHWAKDHT-BZPMIXESSA-N 2 2 282.388 -0.160 20 0 CBADLP O=C(N[C@@H]1CCc2[nH+]ccn2C1)[C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1 ZINC001553427251 923996417 /nfs/dbraw/zinc/99/64/17/923996417.db2.gz HKDDNMWDYWXXMI-RHYQMDGZSA-N 2 2 276.340 -0.167 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)CC1 ZINC001553429954 923996740 /nfs/dbraw/zinc/99/67/40/923996740.db2.gz LLXINFLUQCOTPR-AVGNSLFASA-N 3 2 282.388 -0.955 20 0 CBADLP C[N@@H+]1CCO[C@H](CNC(=O)N2C[C@@H]3CC[C@]3([NH3+])C2)C1 ZINC001553442056 924001033 /nfs/dbraw/zinc/00/10/33/924001033.db2.gz DCRFNDXITNZDAT-LOWVWBTDSA-N 2 2 268.361 -0.550 20 0 CBADLP C[N@H+]1CCO[C@H](CNC(=O)N2C[C@@H]3CC[C@]3([NH3+])C2)C1 ZINC001553442056 924001045 /nfs/dbraw/zinc/00/10/45/924001045.db2.gz DCRFNDXITNZDAT-LOWVWBTDSA-N 2 2 268.361 -0.550 20 0 CBADLP C[N@@H+]1CCO[C@@H](CNC(=O)N2C[C@@H]3[C@@H](C[NH3+])[C@@H]3C2)C1 ZINC001553443785 924003411 /nfs/dbraw/zinc/00/34/11/924003411.db2.gz JKRGZTMLVNKWCO-FIQHERPVSA-N 2 2 268.361 -0.837 20 0 CBADLP C[N@H+]1CCO[C@@H](CNC(=O)N2C[C@@H]3[C@@H](C[NH3+])[C@@H]3C2)C1 ZINC001553443785 924003423 /nfs/dbraw/zinc/00/34/23/924003423.db2.gz JKRGZTMLVNKWCO-FIQHERPVSA-N 2 2 268.361 -0.837 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)N[C@@]23CCC[C@@H]2[NH2+]CC3)CC1 ZINC001553526204 924023866 /nfs/dbraw/zinc/02/38/66/924023866.db2.gz IFYZLFZUWWKJIJ-DZGCQCFKSA-N 3 2 295.431 -0.007 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)N2C[C@H]3CC[C@]3([NH3+])C2)CC1 ZINC001553529979 924026286 /nfs/dbraw/zinc/02/62/86/924026286.db2.gz PUYINKORLRFVFI-RISCZKNCSA-N 3 2 281.404 -0.458 20 0 CBADLP C[C@@H](CNC(=O)NCC[NH+]1CCC1)CN1CC[NH+](C)CC1 ZINC000337657066 214200067 /nfs/dbraw/zinc/20/00/67/214200067.db2.gz NXIVVKCGQWVYSQ-AWEZNQCLSA-N 2 2 297.447 -0.125 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000082991992 178333270 /nfs/dbraw/zinc/33/32/70/178333270.db2.gz GGRJZKOWMCNXQF-AWEZNQCLSA-N 2 2 297.399 -0.360 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000082991992 178333273 /nfs/dbraw/zinc/33/32/73/178333273.db2.gz GGRJZKOWMCNXQF-AWEZNQCLSA-N 2 2 297.399 -0.360 20 0 CBADLP C[C@H](CNC(=O)NCC[NH+]1CCC1)C[NH+]1CCOCC1 ZINC000337670080 214207846 /nfs/dbraw/zinc/20/78/46/214207846.db2.gz XCIDNIJIQBJYEU-CYBMUJFWSA-N 2 2 284.404 -0.040 20 0 CBADLP Cn1ncc2c1nc[nH+]c2NC[C@@]1(O)CC[N@H+](C)C1 ZINC000337785724 214261068 /nfs/dbraw/zinc/26/10/68/214261068.db2.gz BEAKELUGJYITGP-LBPRGKRZSA-N 2 2 262.317 -0.158 20 0 CBADLP Cn1ncc2c1nc[nH+]c2NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000337785724 214261072 /nfs/dbraw/zinc/26/10/72/214261072.db2.gz BEAKELUGJYITGP-LBPRGKRZSA-N 2 2 262.317 -0.158 20 0 CBADLP C[C@@H](C(=O)NCC(F)(F)C[NH3+])N1CC[NH+](C)CC1 ZINC000573371610 334932401 /nfs/dbraw/zinc/93/24/01/334932401.db2.gz ZHSCQNYFEHZQEP-VIFPVBQESA-N 2 2 264.320 -0.668 20 0 CBADLP C[C@H]([NH3+])[C@H](C)C(=O)NC[C@H](C)[NH+]1CCN(C)CC1 ZINC000493952267 230341556 /nfs/dbraw/zinc/34/15/56/230341556.db2.gz JGBPCEWULUJWPZ-SRVKXCTJSA-N 2 2 256.394 -0.278 20 0 CBADLP Cn1cc(C[NH+]2CCC([NH+](C)C)CC2)c(=O)n(C)c1=O ZINC000351077934 219077159 /nfs/dbraw/zinc/07/71/59/219077159.db2.gz HTOGCKRKGWSALT-UHFFFAOYSA-N 2 2 280.372 -0.390 20 0 CBADLP C[NH2+]C[C@@H](C)C(=O)NC[C@]1([NH+]2CCOCC2)CCCOC1 ZINC000370771467 290673735 /nfs/dbraw/zinc/67/37/35/290673735.db2.gz GQZSYCCZTDDTBL-UKRRQHHQSA-N 2 2 299.415 -0.161 20 0 CBADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C1(CCO)CCOCC1 ZINC000355027648 529827436 /nfs/dbraw/zinc/82/74/36/529827436.db2.gz PPLWIOWUQAJKPT-UHFFFAOYSA-N 2 2 299.415 -0.376 20 0 CBADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C1(CCO)CCOCC1 ZINC000355027648 529827438 /nfs/dbraw/zinc/82/74/38/529827438.db2.gz PPLWIOWUQAJKPT-UHFFFAOYSA-N 2 2 299.415 -0.376 20 0 CBADLP C[C@@H](CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1)Cn1cc[nH+]c1 ZINC000351537386 219119557 /nfs/dbraw/zinc/11/95/57/219119557.db2.gz IXRAWXBKHVLTNJ-NWDGAFQWSA-N 2 2 293.371 -0.496 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+]3CCCC[C@@H]3CO2)C1 ZINC000127032672 187277234 /nfs/dbraw/zinc/27/72/34/187277234.db2.gz HHYCHTGAQUFDJR-MCIONIFRSA-N 2 2 297.399 -0.314 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+]3CCCC[C@@H]3CO2)C1 ZINC000127032672 187277236 /nfs/dbraw/zinc/27/72/36/187277236.db2.gz HHYCHTGAQUFDJR-MCIONIFRSA-N 2 2 297.399 -0.314 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)C1 ZINC000127032672 187277237 /nfs/dbraw/zinc/27/72/37/187277237.db2.gz HHYCHTGAQUFDJR-MCIONIFRSA-N 2 2 297.399 -0.314 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@H+]3CCCC[C@@H]3CO2)C1 ZINC000127032672 187277238 /nfs/dbraw/zinc/27/72/38/187277238.db2.gz HHYCHTGAQUFDJR-MCIONIFRSA-N 2 2 297.399 -0.314 20 0 CBADLP COc1cc[nH+]cc1NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351554674 219124054 /nfs/dbraw/zinc/12/40/54/219124054.db2.gz DGXFUTPLUNIFBQ-VIFPVBQESA-N 2 2 278.312 -0.103 20 0 CBADLP C[NH2+]CC(=O)N1CC[N@H+](C[C@@H]2CN(C)CCO2)C[C@@H]1C ZINC000376586101 529956152 /nfs/dbraw/zinc/95/61/52/529956152.db2.gz JNZOUKLMFXKEQT-STQMWFEESA-N 2 2 284.404 -0.931 20 0 CBADLP C[NH2+]CC(=O)N1CC[N@@H+](C[C@@H]2CN(C)CCO2)C[C@@H]1C ZINC000376586101 529956153 /nfs/dbraw/zinc/95/61/53/529956153.db2.gz JNZOUKLMFXKEQT-STQMWFEESA-N 2 2 284.404 -0.931 20 0 CBADLP C[N@H+](C[C@H](O)C[NH+]1CC[C@H](NC(=O)NC2CC2)C1)C1CC1 ZINC000351599325 219139756 /nfs/dbraw/zinc/13/97/56/219139756.db2.gz WYUIYJXBEFDSTD-JSGCOSHPSA-N 2 2 296.415 -0.023 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH+]1CC[C@H](NC(=O)NC2CC2)C1)C1CC1 ZINC000351599325 219139759 /nfs/dbraw/zinc/13/97/59/219139759.db2.gz WYUIYJXBEFDSTD-JSGCOSHPSA-N 2 2 296.415 -0.023 20 0 CBADLP C[NH+](C[C@H](O)C[N@@H+]1CC[C@H](NC(=O)NC2CC2)C1)C1CC1 ZINC000351599325 219139761 /nfs/dbraw/zinc/13/97/61/219139761.db2.gz WYUIYJXBEFDSTD-JSGCOSHPSA-N 2 2 296.415 -0.023 20 0 CBADLP C[NH+](C[C@H](O)C[N@H+]1CC[C@H](NC(=O)NC2CC2)C1)C1CC1 ZINC000351599325 219139762 /nfs/dbraw/zinc/13/97/62/219139762.db2.gz WYUIYJXBEFDSTD-JSGCOSHPSA-N 2 2 296.415 -0.023 20 0 CBADLP C[N@@H+]1CCN(C2CC[NH+](CC(=O)NC3CC3)CC2)C(=O)C1 ZINC000378598214 530071190 /nfs/dbraw/zinc/07/11/90/530071190.db2.gz LWSAHXRSCILOHV-UHFFFAOYSA-N 2 2 294.399 -0.497 20 0 CBADLP C[N@H+]1CCN(C2CC[NH+](CC(=O)NC3CC3)CC2)C(=O)C1 ZINC000378598214 530071191 /nfs/dbraw/zinc/07/11/91/530071191.db2.gz LWSAHXRSCILOHV-UHFFFAOYSA-N 2 2 294.399 -0.497 20 0 CBADLP C[C@@H](C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1)[C@H](C)[NH3+] ZINC000493895884 295733430 /nfs/dbraw/zinc/73/34/30/295733430.db2.gz AZCASANZTWBTEK-ZJUUUORDSA-N 2 2 270.377 -0.622 20 0 CBADLP COCC[N@H+](C)CCNC(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000339244734 215037651 /nfs/dbraw/zinc/03/76/51/215037651.db2.gz CTKZIDJSYRRVJD-GFCCVEGCSA-N 2 2 273.377 -0.599 20 0 CBADLP COCC[N@@H+](C)CCNC(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000339244734 215037653 /nfs/dbraw/zinc/03/76/53/215037653.db2.gz CTKZIDJSYRRVJD-GFCCVEGCSA-N 2 2 273.377 -0.599 20 0 CBADLP C[C@H]1C[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@@H]1O ZINC000351773151 219202001 /nfs/dbraw/zinc/20/20/01/219202001.db2.gz CNUVEKFKWJIKDO-STQMWFEESA-N 2 2 299.415 -0.474 20 0 CBADLP C[C@H]1C[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@@H]1O ZINC000351773151 219202003 /nfs/dbraw/zinc/20/20/03/219202003.db2.gz CNUVEKFKWJIKDO-STQMWFEESA-N 2 2 299.415 -0.474 20 0 CBADLP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@H](C)[NH+]2CCOCC2)C1 ZINC000351826631 219217981 /nfs/dbraw/zinc/21/79/81/219217981.db2.gz HYXIAYBLBYRJIO-SDDRHHMPSA-N 2 2 255.362 -0.097 20 0 CBADLP COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000351857888 219229152 /nfs/dbraw/zinc/22/91/52/219229152.db2.gz CQTHIDYJZRGPNP-AXFHLTTASA-N 2 2 286.376 -0.484 20 0 CBADLP COC[C@H](C)NC(=O)NC(=O)C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000351857888 219229154 /nfs/dbraw/zinc/22/91/54/219229154.db2.gz CQTHIDYJZRGPNP-AXFHLTTASA-N 2 2 286.376 -0.484 20 0 CBADLP C[N@H+](C[C@H](O)C[NH+]1[C@H](CO)CC[C@H]1CO)C1CC1 ZINC000351982654 219274811 /nfs/dbraw/zinc/27/48/11/219274811.db2.gz OKNNUKUINYOHIJ-AVGNSLFASA-N 2 2 258.362 -0.741 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH+]1[C@H](CO)CC[C@H]1CO)C1CC1 ZINC000351982654 219274814 /nfs/dbraw/zinc/27/48/14/219274814.db2.gz OKNNUKUINYOHIJ-AVGNSLFASA-N 2 2 258.362 -0.741 20 0 CBADLP C[N@H+](C[C@H](O)C[NH+]1[C@@H](CO)CC[C@H]1CO)C1CC1 ZINC000351982657 219275399 /nfs/dbraw/zinc/27/53/99/219275399.db2.gz OKNNUKUINYOHIJ-XQQFMLRXSA-N 2 2 258.362 -0.741 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH+]1[C@@H](CO)CC[C@H]1CO)C1CC1 ZINC000351982657 219275401 /nfs/dbraw/zinc/27/54/01/219275401.db2.gz OKNNUKUINYOHIJ-XQQFMLRXSA-N 2 2 258.362 -0.741 20 0 CBADLP C[NH+](C[C@H](O)C[N@@H+]1[C@@H](CO)CC[C@H]1CO)C1CC1 ZINC000351982657 219275404 /nfs/dbraw/zinc/27/54/04/219275404.db2.gz OKNNUKUINYOHIJ-XQQFMLRXSA-N 2 2 258.362 -0.741 20 0 CBADLP C[NH+](C[C@H](O)C[N@H+]1[C@@H](CO)CC[C@H]1CO)C1CC1 ZINC000351982657 219275406 /nfs/dbraw/zinc/27/54/06/219275406.db2.gz OKNNUKUINYOHIJ-XQQFMLRXSA-N 2 2 258.362 -0.741 20 0 CBADLP CC[N@H+](CCO)CCNC(=O)CCn1cc[nH+]c1 ZINC000274553302 352540496 /nfs/dbraw/zinc/54/04/96/352540496.db2.gz NISLTZDBPYURRE-UHFFFAOYSA-N 2 2 254.334 -0.296 20 0 CBADLP CC[N@@H+](CCO)CCNC(=O)CCn1cc[nH+]c1 ZINC000274553302 352540497 /nfs/dbraw/zinc/54/04/97/352540497.db2.gz NISLTZDBPYURRE-UHFFFAOYSA-N 2 2 254.334 -0.296 20 0 CBADLP CC[C@H](C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)OC)[NH+](C)C ZINC000271243642 191025180 /nfs/dbraw/zinc/02/51/80/191025180.db2.gz CFNOEYXCDZSGDL-WDEREUQCSA-N 2 2 282.344 -0.050 20 0 CBADLP CC[C@H](C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)OC)[NH+](C)C ZINC000271243642 191025182 /nfs/dbraw/zinc/02/51/82/191025182.db2.gz CFNOEYXCDZSGDL-WDEREUQCSA-N 2 2 282.344 -0.050 20 0 CBADLP COCCCOCC[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000091102879 180097897 /nfs/dbraw/zinc/09/78/97/180097897.db2.gz PXJJYUMEFUAUQC-UHFFFAOYSA-N 2 2 287.404 -0.255 20 0 CBADLP COCCCOCC[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000091102879 180097898 /nfs/dbraw/zinc/09/78/98/180097898.db2.gz PXJJYUMEFUAUQC-UHFFFAOYSA-N 2 2 287.404 -0.255 20 0 CBADLP C[C@H]1C[C@@H](C(=O)N2CC[NH+](CCO)CC2)CC[N@@H+]1C ZINC000352153338 219339463 /nfs/dbraw/zinc/33/94/63/219339463.db2.gz GNMWZLKLRJRXNN-STQMWFEESA-N 2 2 269.389 -0.147 20 0 CBADLP C[C@H]1C[C@@H](C(=O)N2CC[NH+](CCO)CC2)CC[N@H+]1C ZINC000352153338 219339465 /nfs/dbraw/zinc/33/94/65/219339465.db2.gz GNMWZLKLRJRXNN-STQMWFEESA-N 2 2 269.389 -0.147 20 0 CBADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@H]1CCCOC1 ZINC000352185363 219350022 /nfs/dbraw/zinc/35/00/22/219350022.db2.gz BWVNCDYVMQTRDS-LBPRGKRZSA-N 2 2 255.362 -0.129 20 0 CBADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)[C@H]1CCCOC1 ZINC000352185363 219350031 /nfs/dbraw/zinc/35/00/31/219350031.db2.gz BWVNCDYVMQTRDS-LBPRGKRZSA-N 2 2 255.362 -0.129 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107575850 186179221 /nfs/dbraw/zinc/17/92/21/186179221.db2.gz BJXANSNKOWQNBK-TXEJJXNPSA-N 2 2 282.388 -0.878 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107575850 186179222 /nfs/dbraw/zinc/17/92/22/186179222.db2.gz BJXANSNKOWQNBK-TXEJJXNPSA-N 2 2 282.388 -0.878 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)[C@H]1CCC[N@@H+]1C ZINC000339797334 215341916 /nfs/dbraw/zinc/34/19/16/215341916.db2.gz KHONRTAOSJNTJY-GFCCVEGCSA-N 2 2 255.362 -0.129 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)[C@H]1CCC[N@H+]1C ZINC000339797334 215341919 /nfs/dbraw/zinc/34/19/19/215341919.db2.gz KHONRTAOSJNTJY-GFCCVEGCSA-N 2 2 255.362 -0.129 20 0 CBADLP O=C(CC1CC[NH2+]CC1)NCC[NH+]1CCOCC1 ZINC000002583928 351310348 /nfs/dbraw/zinc/31/03/48/351310348.db2.gz LCRHDGRAVRBYRH-UHFFFAOYSA-N 2 2 255.362 -0.176 20 0 CBADLP Cn1cc[nH+]c1N1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC000266956455 282748236 /nfs/dbraw/zinc/74/82/36/282748236.db2.gz VSCOXDMJKVEXJK-NSHDSACASA-N 2 2 263.345 -0.227 20 0 CBADLP Cn1cc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)c(=O)n(C)c1=O ZINC000036996269 351395537 /nfs/dbraw/zinc/39/55/37/351395537.db2.gz YOKNKDBJJXTBLR-CHWSQXEVSA-N 2 2 292.383 -0.200 20 0 CBADLP Cn1cc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)c(=O)n(C)c1=O ZINC000036996269 351395542 /nfs/dbraw/zinc/39/55/42/351395542.db2.gz YOKNKDBJJXTBLR-CHWSQXEVSA-N 2 2 292.383 -0.200 20 0 CBADLP [NH3+]CCN1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000037039567 351396639 /nfs/dbraw/zinc/39/66/39/351396639.db2.gz RCXOCJIOHUPVEQ-UHFFFAOYSA-N 2 2 254.378 -0.425 20 0 CBADLP Cc1[nH]c2ccc(NC(=O)CNC(=O)C[NH3+])cc2[nH+]1 ZINC000037629864 351400938 /nfs/dbraw/zinc/40/09/38/351400938.db2.gz IIKQQZGXDQOORT-UHFFFAOYSA-N 2 2 261.285 -0.115 20 0 CBADLP CC(C)(CNC(=O)C[NH+]1CCC(O)CC1)[NH+]1CCOCC1 ZINC000015307184 351341754 /nfs/dbraw/zinc/34/17/54/351341754.db2.gz WOPAUUUOXBQGEP-UHFFFAOYSA-N 2 2 299.415 -0.330 20 0 CBADLP CC(C)C[C@H](CNC(=O)[C@H]1C[C@H](O)C[NH2+]1)[NH+]1CCOCC1 ZINC000040824636 351419805 /nfs/dbraw/zinc/41/98/05/351419805.db2.gz SCFKIQMZXYXLCE-HZSPNIEDSA-N 2 2 299.415 -0.428 20 0 CBADLP C[C@H](C(=O)NCCCC[NH+]1CCOCC1)[NH+]1CCOCC1 ZINC000041573152 351423695 /nfs/dbraw/zinc/42/36/95/351423695.db2.gz MGBZLDIDBMQAMX-CQSZACIVSA-N 2 2 299.415 -0.064 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH+]2CCC(CO)CC2)CC1 ZINC000050104700 351500630 /nfs/dbraw/zinc/50/06/30/351500630.db2.gz VUAXBEBNXKAMLV-UHFFFAOYSA-N 2 2 255.362 -0.535 20 0 CBADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000051181434 351507992 /nfs/dbraw/zinc/50/79/92/351507992.db2.gz NHIFWJLDDJASGX-UHFFFAOYSA-N 2 2 284.404 -0.439 20 0 CBADLP C[C@@]([NH3+])(C(=O)N1CC[NH+](CCO)CC1)c1ccccc1 ZINC000052881528 351522505 /nfs/dbraw/zinc/52/25/05/351522505.db2.gz CHQYUCCXJLPTAY-HNNXBMFYSA-N 2 2 277.368 -0.003 20 0 CBADLP C[C@]([NH3+])(C(=O)N1CC[NH+](CCO)CC1)c1ccccc1 ZINC000052881527 351522817 /nfs/dbraw/zinc/52/28/17/351522817.db2.gz CHQYUCCXJLPTAY-OAHLLOKOSA-N 2 2 277.368 -0.003 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@]1(C)CC[NH2+]C1 ZINC000062891869 351576934 /nfs/dbraw/zinc/57/69/34/351576934.db2.gz DXQLKKKSWAKMNO-DGCLKSJQSA-N 2 2 255.362 -0.177 20 0 CBADLP CC[C@@]1(C(=O)N2CC[NH+](CCO)CC2)CC[NH2+]C1 ZINC000062890561 351577167 /nfs/dbraw/zinc/57/71/67/351577167.db2.gz RFYJDTDUCQRBBM-CYBMUJFWSA-N 2 2 255.362 -0.487 20 0 CBADLP C[NH2+]CCCC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000062976856 351578374 /nfs/dbraw/zinc/57/83/74/351578374.db2.gz DJFKPHFLYZMPHT-GFCCVEGCSA-N 2 2 255.362 -0.081 20 0 CBADLP Cc1nc(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)no1 ZINC000063180259 351579982 /nfs/dbraw/zinc/57/99/82/351579982.db2.gz KJQDXPZWYBPTIW-JTQLQIEISA-N 2 2 267.333 -0.335 20 0 CBADLP Cc1nc(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)no1 ZINC000063180259 351579987 /nfs/dbraw/zinc/57/99/87/351579987.db2.gz KJQDXPZWYBPTIW-JTQLQIEISA-N 2 2 267.333 -0.335 20 0 CBADLP CCc1nc(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)no1 ZINC000063179977 351580610 /nfs/dbraw/zinc/58/06/10/351580610.db2.gz DYNCSWODMVTJGE-JTQLQIEISA-N 2 2 281.360 -0.081 20 0 CBADLP CCc1nc(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)no1 ZINC000063179977 351580612 /nfs/dbraw/zinc/58/06/12/351580612.db2.gz DYNCSWODMVTJGE-JTQLQIEISA-N 2 2 281.360 -0.081 20 0 CBADLP CC(=O)N[C@H](C)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000058971544 351561519 /nfs/dbraw/zinc/56/15/19/351561519.db2.gz YDPHHMRSFABWDN-GFCCVEGCSA-N 2 2 298.431 -0.005 20 0 CBADLP CC(=O)N[C@H](C)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000058971544 351561525 /nfs/dbraw/zinc/56/15/25/351561525.db2.gz YDPHHMRSFABWDN-GFCCVEGCSA-N 2 2 298.431 -0.005 20 0 CBADLP CC(C)COC[C@H](O)C[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000068805407 351622365 /nfs/dbraw/zinc/62/23/65/351622365.db2.gz IOUSKRBTNNJBMI-UONOGXRCSA-N 2 2 273.421 -0.145 20 0 CBADLP CC(C)COC[C@H](O)C[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000068805407 351622368 /nfs/dbraw/zinc/62/23/68/351622368.db2.gz IOUSKRBTNNJBMI-UONOGXRCSA-N 2 2 273.421 -0.145 20 0 CBADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]C[C@H](O)C(F)(F)F ZINC000068880079 351623702 /nfs/dbraw/zinc/62/37/02/351623702.db2.gz YRWAQQUPLWAHHO-BDAKNGLRSA-N 2 2 255.284 -0.255 20 0 CBADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]C[C@H](O)C(F)(F)F ZINC000068880079 351623705 /nfs/dbraw/zinc/62/37/05/351623705.db2.gz YRWAQQUPLWAHHO-BDAKNGLRSA-N 2 2 255.284 -0.255 20 0 CBADLP O=C(C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)N1CCNC(=O)C1 ZINC000080959490 351701329 /nfs/dbraw/zinc/70/13/29/351701329.db2.gz VFQFONGTNOOKRZ-NSHDSACASA-N 2 2 291.355 -0.453 20 0 CBADLP O=C(C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)N1CCNC(=O)C1 ZINC000080959490 351701332 /nfs/dbraw/zinc/70/13/32/351701332.db2.gz VFQFONGTNOOKRZ-NSHDSACASA-N 2 2 291.355 -0.453 20 0 CBADLP O=C(C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)N1CCNC(=O)C1 ZINC000080959488 351701892 /nfs/dbraw/zinc/70/18/92/351701892.db2.gz VFQFONGTNOOKRZ-LLVKDONJSA-N 2 2 291.355 -0.453 20 0 CBADLP O=C(C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)N1CCNC(=O)C1 ZINC000080959488 351701902 /nfs/dbraw/zinc/70/19/02/351701902.db2.gz VFQFONGTNOOKRZ-LLVKDONJSA-N 2 2 291.355 -0.453 20 0 CBADLP CC1CC[NH+](CCNC(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000088371578 351725328 /nfs/dbraw/zinc/72/53/28/351725328.db2.gz ZRXZTVPZPHUHLW-LBPRGKRZSA-N 2 2 255.362 -0.177 20 0 CBADLP CC(C)C[C@@H](CNC(=O)[C@H]1COCC[NH2+]1)[NH+]1CCOCC1 ZINC000088371650 351725337 /nfs/dbraw/zinc/72/53/37/351725337.db2.gz IUONSPVHVHTVKB-UONOGXRCSA-N 2 2 299.415 -0.162 20 0 CBADLP CCC[N@H+](C)C[C@H]1CC[NH+](CC(=O)N2CCNC(=O)C2)C1 ZINC000081569586 351709159 /nfs/dbraw/zinc/70/91/59/351709159.db2.gz KJAQISIFPDPUEN-CYBMUJFWSA-N 2 2 296.415 -0.392 20 0 CBADLP CCC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)N2CCNC(=O)C2)C1 ZINC000081569586 351709161 /nfs/dbraw/zinc/70/91/61/351709161.db2.gz KJAQISIFPDPUEN-CYBMUJFWSA-N 2 2 296.415 -0.392 20 0 CBADLP CCC[NH+](C)C[C@H]1CC[N@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000081569586 351709163 /nfs/dbraw/zinc/70/91/63/351709163.db2.gz KJAQISIFPDPUEN-CYBMUJFWSA-N 2 2 296.415 -0.392 20 0 CBADLP CCC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000081569586 351709164 /nfs/dbraw/zinc/70/91/64/351709164.db2.gz KJAQISIFPDPUEN-CYBMUJFWSA-N 2 2 296.415 -0.392 20 0 CBADLP CCN(CC(=O)NC(C)C)C(=O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000107576989 351794897 /nfs/dbraw/zinc/79/48/97/351794897.db2.gz TZQVLOJZUDWWOR-CHWSQXEVSA-N 2 2 296.415 -0.489 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000107575852 351795295 /nfs/dbraw/zinc/79/52/95/351795295.db2.gz BJXANSNKOWQNBK-VXGBXAGGSA-N 2 2 282.388 -0.878 20 0 CBADLP O=C(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)NC(=O)NCc1ccco1 ZINC000107577347 351795809 /nfs/dbraw/zinc/79/58/09/351795809.db2.gz IMEKODPNMXVHGP-QWRGUYRKSA-N 2 2 292.339 -0.243 20 0 CBADLP Cc1nn(C)c(C)c1C[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000110058064 351798128 /nfs/dbraw/zinc/79/81/28/351798128.db2.gz CYKYTCBTACGSIW-UHFFFAOYSA-N 2 2 279.388 -0.099 20 0 CBADLP C[C@@H](C(=O)N1CC[N@H+](CCO)[C@H](C)C1)[NH+]1CC(C)C1 ZINC000521066767 260362774 /nfs/dbraw/zinc/36/27/74/260362774.db2.gz OWWFONWGFMWVHE-OLZOCXBDSA-N 2 2 269.389 -0.148 20 0 CBADLP C[C@@H](C(=O)N1CC[N@@H+](CCO)[C@H](C)C1)[NH+]1CC(C)C1 ZINC000521066767 260362776 /nfs/dbraw/zinc/36/27/76/260362776.db2.gz OWWFONWGFMWVHE-OLZOCXBDSA-N 2 2 269.389 -0.148 20 0 CBADLP CO[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000093171666 351757435 /nfs/dbraw/zinc/75/74/35/351757435.db2.gz PTFZOVIJOGHNFE-GFCCVEGCSA-N 2 2 255.362 -0.129 20 0 CBADLP CO[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000093171666 351757440 /nfs/dbraw/zinc/75/74/40/351757440.db2.gz PTFZOVIJOGHNFE-GFCCVEGCSA-N 2 2 255.362 -0.129 20 0 CBADLP C[C@H]1[NH2+]CCC[C@H]1C(=O)NCC[NH+]1CCOCC1 ZINC000094647017 351764421 /nfs/dbraw/zinc/76/44/21/351764421.db2.gz QXYRFUFOTBTHFI-VXGBXAGGSA-N 2 2 255.362 -0.177 20 0 CBADLP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000094648744 351765844 /nfs/dbraw/zinc/76/58/44/351765844.db2.gz NCRNAYWPZDYPLV-TUAOUCFPSA-N 2 2 255.362 -0.179 20 0 CBADLP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000094648744 351765848 /nfs/dbraw/zinc/76/58/48/351765848.db2.gz NCRNAYWPZDYPLV-TUAOUCFPSA-N 2 2 255.362 -0.179 20 0 CBADLP O=C(COC1CC[NH2+]CC1)NCC[NH+]1CCOCC1 ZINC000111757255 351805739 /nfs/dbraw/zinc/80/57/39/351805739.db2.gz KJNGVFXUZWHLAV-UHFFFAOYSA-N 2 2 271.361 -0.797 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000114076497 351815519 /nfs/dbraw/zinc/81/55/19/351815519.db2.gz AGWSNRBTVCBMSG-GFCCVEGCSA-N 2 2 255.362 -0.129 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000114076497 351815524 /nfs/dbraw/zinc/81/55/24/351815524.db2.gz AGWSNRBTVCBMSG-GFCCVEGCSA-N 2 2 255.362 -0.129 20 0 CBADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC000124558335 351855423 /nfs/dbraw/zinc/85/54/23/351855423.db2.gz ZYBLKYJNNMWTHQ-ZJUUUORDSA-N 2 2 266.345 -0.604 20 0 CBADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC000124558335 351855424 /nfs/dbraw/zinc/85/54/24/351855424.db2.gz ZYBLKYJNNMWTHQ-ZJUUUORDSA-N 2 2 266.345 -0.604 20 0 CBADLP CC(C)OC[C@H](O)C[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000120308515 351839590 /nfs/dbraw/zinc/83/95/90/351839590.db2.gz GVWNOMPFDAUMAN-CYBMUJFWSA-N 2 2 287.404 -0.522 20 0 CBADLP CC[C@@H]([NH3+])C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000130615494 351879996 /nfs/dbraw/zinc/87/99/96/351879996.db2.gz PGHIDIFOUAMAQU-GFCCVEGCSA-N 2 2 292.387 -0.548 20 0 CBADLP C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCCn1cc[nH+]c1 ZINC000124243718 187127791 /nfs/dbraw/zinc/12/77/91/187127791.db2.gz AGWVROTYCUKAFF-VIFPVBQESA-N 2 2 253.306 -0.212 20 0 CBADLP C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124243718 187127792 /nfs/dbraw/zinc/12/77/92/187127792.db2.gz AGWVROTYCUKAFF-VIFPVBQESA-N 2 2 253.306 -0.212 20 0 CBADLP CS(=O)(=O)NCC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000129169562 351868624 /nfs/dbraw/zinc/86/86/24/351868624.db2.gz DHRQMAFPHJYAKC-GFCCVEGCSA-N 2 2 291.417 -0.810 20 0 CBADLP CS(=O)(=O)NCC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000129169562 351868628 /nfs/dbraw/zinc/86/86/28/351868628.db2.gz DHRQMAFPHJYAKC-GFCCVEGCSA-N 2 2 291.417 -0.810 20 0 CBADLP O=C1CCC(=O)N1CC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000129228525 351869638 /nfs/dbraw/zinc/86/96/38/351869638.db2.gz KGMNXULWEOVLBE-CYBMUJFWSA-N 2 2 295.383 -0.211 20 0 CBADLP O=C1CCC(=O)N1CC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000129228525 351869642 /nfs/dbraw/zinc/86/96/42/351869642.db2.gz KGMNXULWEOVLBE-CYBMUJFWSA-N 2 2 295.383 -0.211 20 0 CBADLP CCN(C)C(=O)CC[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000130134479 351876455 /nfs/dbraw/zinc/87/64/55/351876455.db2.gz GOFGBFXQOBMHNS-UHFFFAOYSA-N 2 2 284.404 -0.439 20 0 CBADLP CSCC[C@@H]([NH3+])C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000131197627 351884088 /nfs/dbraw/zinc/88/40/88/351884088.db2.gz PDRZFRMGNQXGTF-NWDGAFQWSA-N 2 2 287.429 0.000 20 0 CBADLP COC(=O)[C@H]1CCC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000133702159 351900554 /nfs/dbraw/zinc/90/05/54/351900554.db2.gz RLCFDUSAIINTQJ-LBPRGKRZSA-N 2 2 283.372 -0.355 20 0 CBADLP COC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000133702159 351900559 /nfs/dbraw/zinc/90/05/59/351900559.db2.gz RLCFDUSAIINTQJ-LBPRGKRZSA-N 2 2 283.372 -0.355 20 0 CBADLP O=S1(=O)CCC[C@H]1C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000156700419 351953669 /nfs/dbraw/zinc/95/36/69/351953669.db2.gz XZUWEDDLGCCBGK-RYUDHWBXSA-N 2 2 276.402 -0.390 20 0 CBADLP C[C@H](CNC(=O)C[C@@H]1C[NH2+]CCO1)[NH+]1CCOCC1 ZINC000164913729 351984464 /nfs/dbraw/zinc/98/44/64/351984464.db2.gz HYOOBKRIOFJLCS-VXGBXAGGSA-N 2 2 271.361 -0.798 20 0 CBADLP O=C(NCCCNc1cccc[nH+]1)[C@H]1COCC[NH2+]1 ZINC000165235058 351985617 /nfs/dbraw/zinc/98/56/17/351985617.db2.gz DZAYLWNVXVKZKJ-LLVKDONJSA-N 2 2 264.329 -0.012 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1COCC[NH2+]1)C[NH+]1CCOCC1 ZINC000166592792 351987598 /nfs/dbraw/zinc/98/75/98/351987598.db2.gz YTSFZFBGWLLPCK-NWDGAFQWSA-N 2 2 271.361 -0.941 20 0 CBADLP CCOCC[N@@H+]1CCN(C(=O)[C@@H]2C[NH2+]CCO2)C[C@H]1C ZINC000168050052 351991823 /nfs/dbraw/zinc/99/18/23/351991823.db2.gz GRUHLWZDTAGZDO-OLZOCXBDSA-N 2 2 285.388 -0.456 20 0 CBADLP CCOCC[N@H+]1CCN(C(=O)[C@@H]2C[NH2+]CCO2)C[C@H]1C ZINC000168050052 351991826 /nfs/dbraw/zinc/99/18/26/351991826.db2.gz GRUHLWZDTAGZDO-OLZOCXBDSA-N 2 2 285.388 -0.456 20 0 CBADLP COCC[N@@H+]1CCN(C(=O)[C@@H]2COCC[NH2+]2)C[C@@H]1C ZINC000168016576 351992208 /nfs/dbraw/zinc/99/22/08/351992208.db2.gz NQOPGGCUQVCUPM-RYUDHWBXSA-N 2 2 271.361 -0.846 20 0 CBADLP COCC[N@H+]1CCN(C(=O)[C@@H]2COCC[NH2+]2)C[C@@H]1C ZINC000168016576 351992211 /nfs/dbraw/zinc/99/22/11/351992211.db2.gz NQOPGGCUQVCUPM-RYUDHWBXSA-N 2 2 271.361 -0.846 20 0 CBADLP O[C@@H](CN1CC[C@@H]([NH+]2CCCC2)C1)C[NH+]1CCOCC1 ZINC000170749250 352000751 /nfs/dbraw/zinc/00/07/51/352000751.db2.gz DOJGOMDLKZJVBU-HUUCEWRRSA-N 2 2 283.416 -0.150 20 0 CBADLP O=C(NCC[NH+]1CCOCC1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000173927969 352041872 /nfs/dbraw/zinc/04/18/72/352041872.db2.gz DJSRUQGTLJSXLA-AWEZNQCLSA-N 2 2 294.399 -0.026 20 0 CBADLP CC[N@H+](C)C[C@H]1CC[NH+](CC(=O)N2CCNC2=O)C1 ZINC000173881998 352042101 /nfs/dbraw/zinc/04/21/01/352042101.db2.gz OKXHOJTVOBNCSZ-LLVKDONJSA-N 2 2 268.361 -0.188 20 0 CBADLP CC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)N2CCNC2=O)C1 ZINC000173881998 352042106 /nfs/dbraw/zinc/04/21/06/352042106.db2.gz OKXHOJTVOBNCSZ-LLVKDONJSA-N 2 2 268.361 -0.188 20 0 CBADLP CC[NH+](C)C[C@H]1CC[N@H+](CC(=O)N2CCNC2=O)C1 ZINC000173881998 352042108 /nfs/dbraw/zinc/04/21/08/352042108.db2.gz OKXHOJTVOBNCSZ-LLVKDONJSA-N 2 2 268.361 -0.188 20 0 CBADLP CC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N2CCNC2=O)C1 ZINC000173881998 352042113 /nfs/dbraw/zinc/04/21/13/352042113.db2.gz OKXHOJTVOBNCSZ-LLVKDONJSA-N 2 2 268.361 -0.188 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000174414690 352046731 /nfs/dbraw/zinc/04/67/31/352046731.db2.gz NLIICRNAVYPLIX-LBPRGKRZSA-N 2 2 285.388 -0.456 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000174414690 352046735 /nfs/dbraw/zinc/04/67/35/352046735.db2.gz NLIICRNAVYPLIX-LBPRGKRZSA-N 2 2 285.388 -0.456 20 0 CBADLP CC(C)[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH+]1CCOCC1 ZINC000174506598 352047087 /nfs/dbraw/zinc/04/70/87/352047087.db2.gz VDQIQZMPURQFIU-KGLIPLIRSA-N 2 2 299.415 -0.210 20 0 CBADLP CC(C)[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH+]1CCOCC1 ZINC000174506598 352047089 /nfs/dbraw/zinc/04/70/89/352047089.db2.gz VDQIQZMPURQFIU-KGLIPLIRSA-N 2 2 299.415 -0.210 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](C3CC3)CCO2)C1 ZINC000174868739 352051986 /nfs/dbraw/zinc/05/19/86/352051986.db2.gz WADJWNJHTLPUNL-ZIAGYGMSSA-N 2 2 297.399 -0.314 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](C3CC3)CCO2)C1 ZINC000174868739 352051990 /nfs/dbraw/zinc/05/19/90/352051990.db2.gz WADJWNJHTLPUNL-ZIAGYGMSSA-N 2 2 297.399 -0.314 20 0 CBADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)C1 ZINC000174868739 352051994 /nfs/dbraw/zinc/05/19/94/352051994.db2.gz WADJWNJHTLPUNL-ZIAGYGMSSA-N 2 2 297.399 -0.314 20 0 CBADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)C1 ZINC000174868739 352051996 /nfs/dbraw/zinc/05/19/96/352051996.db2.gz WADJWNJHTLPUNL-ZIAGYGMSSA-N 2 2 297.399 -0.314 20 0 CBADLP CC[NH+](CC)CC(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000176902232 352068805 /nfs/dbraw/zinc/06/88/05/352068805.db2.gz XFOKURGSFAPWGR-AWEZNQCLSA-N 2 2 287.404 -0.472 20 0 CBADLP COC(=O)[C@H]1C[C@H]1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000177141091 352071919 /nfs/dbraw/zinc/07/19/19/352071919.db2.gz JPQVODNBGBTZRY-OLZOCXBDSA-N 2 2 297.399 -0.062 20 0 CBADLP CC(C)(CNC(=O)C[N@@H+]1CC[C@H](O)C1)[NH+]1CCOCC1 ZINC000172192268 352022220 /nfs/dbraw/zinc/02/22/20/352022220.db2.gz ZFVGXULUDZCWSG-LBPRGKRZSA-N 2 2 285.388 -0.720 20 0 CBADLP CC(C)(CNC(=O)C[N@H+]1CC[C@H](O)C1)[NH+]1CCOCC1 ZINC000172192268 352022223 /nfs/dbraw/zinc/02/22/23/352022223.db2.gz ZFVGXULUDZCWSG-LBPRGKRZSA-N 2 2 285.388 -0.720 20 0 CBADLP CC[N@H+](CC(=O)N1CC[NH+](C[C@@H](C)O)CC1)C1CC1 ZINC000186848877 352132840 /nfs/dbraw/zinc/13/28/40/352132840.db2.gz GUWFNABMEPQAFU-GFCCVEGCSA-N 2 2 269.389 -0.004 20 0 CBADLP CC[N@@H+](CC(=O)N1CC[NH+](C[C@@H](C)O)CC1)C1CC1 ZINC000186848877 352132844 /nfs/dbraw/zinc/13/28/44/352132844.db2.gz GUWFNABMEPQAFU-GFCCVEGCSA-N 2 2 269.389 -0.004 20 0 CBADLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@@H]1CSC[NH2+]1 ZINC000178764085 352083551 /nfs/dbraw/zinc/08/35/51/352083551.db2.gz FUBNYAAKVHPJKN-JTQLQIEISA-N 2 2 273.402 -0.124 20 0 CBADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@@H]1CSC[NH2+]1 ZINC000178764085 352083552 /nfs/dbraw/zinc/08/35/52/352083552.db2.gz FUBNYAAKVHPJKN-JTQLQIEISA-N 2 2 273.402 -0.124 20 0 CBADLP O=C([C@H]1COCC[NH2+]1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178844488 352083859 /nfs/dbraw/zinc/08/38/59/352083859.db2.gz QOWHQDQRNFIVFM-CHWSQXEVSA-N 2 2 283.372 -0.845 20 0 CBADLP CC[NH+](CC)CC(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178968009 352086605 /nfs/dbraw/zinc/08/66/05/352086605.db2.gz LGQYLGPKQLVOCC-LBPRGKRZSA-N 2 2 254.378 -0.556 20 0 CBADLP C[C@H](NC(=O)C[N@H+](C)CCCn1cc[nH+]c1)C(=O)N(C)C ZINC000181069145 352097844 /nfs/dbraw/zinc/09/78/44/352097844.db2.gz MDHZAAHQRFSBTQ-LBPRGKRZSA-N 2 2 295.387 -0.202 20 0 CBADLP C[C@H](NC(=O)C[N@@H+](C)CCCn1cc[nH+]c1)C(=O)N(C)C ZINC000181069145 352097846 /nfs/dbraw/zinc/09/78/46/352097846.db2.gz MDHZAAHQRFSBTQ-LBPRGKRZSA-N 2 2 295.387 -0.202 20 0 CBADLP OCC1CC[NH+](CC(O)C[NH+]2CCC(CO)CC2)CC1 ZINC000181780363 352100919 /nfs/dbraw/zinc/10/09/19/352100919.db2.gz KWTYTHIMHYGERO-UHFFFAOYSA-N 2 2 286.416 -0.244 20 0 CBADLP OC(C[NH+]1CCC[C@H](O)C1)C[N@@H+]1CCC[C@H](O)C1 ZINC000181774454 352100956 /nfs/dbraw/zinc/10/09/56/352100956.db2.gz BYBYNOZGNMRJCA-RYUDHWBXSA-N 2 2 258.362 -0.739 20 0 CBADLP OC(C[NH+]1CCC[C@H](O)C1)C[N@H+]1CCC[C@H](O)C1 ZINC000181774454 352100957 /nfs/dbraw/zinc/10/09/57/352100957.db2.gz BYBYNOZGNMRJCA-RYUDHWBXSA-N 2 2 258.362 -0.739 20 0 CBADLP CC(C)[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181980349 352101957 /nfs/dbraw/zinc/10/19/57/352101957.db2.gz QAWVATVROHTPGP-GFCCVEGCSA-N 2 2 255.362 -0.083 20 0 CBADLP CC(=O)N1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C(C)(C)C1 ZINC000182174333 352103472 /nfs/dbraw/zinc/10/34/72/352103472.db2.gz GFXDCPWDNJMFIN-UHFFFAOYSA-N 2 2 296.415 -0.297 20 0 CBADLP CC(=O)N1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)C(C)(C)C1 ZINC000182174333 352103474 /nfs/dbraw/zinc/10/34/74/352103474.db2.gz GFXDCPWDNJMFIN-UHFFFAOYSA-N 2 2 296.415 -0.297 20 0 CBADLP CC(C)(CNC(=O)[C@H]1C[C@H](F)C[NH2+]1)[NH+]1CCOCC1 ZINC000188692044 352155976 /nfs/dbraw/zinc/15/59/76/352155976.db2.gz CXEQKKFZZRGKDG-WDEREUQCSA-N 2 2 273.352 -0.087 20 0 CBADLP C[C@H](CNC(=O)c1[nH]nc2c1C[NH2+]CC2)[NH+]1CCOCC1 ZINC000188720440 352157507 /nfs/dbraw/zinc/15/75/07/352157507.db2.gz DZEYFTCZMILFJE-SNVBAGLBSA-N 2 2 293.371 -0.494 20 0 CBADLP CC[C@H](C(=O)N1CC[NH+](C[C@H](C)O)CC1)[NH+](C)C ZINC000189733155 352173715 /nfs/dbraw/zinc/17/37/15/352173715.db2.gz OXTUFGDTICIION-NWDGAFQWSA-N 2 2 257.378 -0.148 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC(F)(F)C[NH3+])C1 ZINC000190241383 352178561 /nfs/dbraw/zinc/17/85/61/352178561.db2.gz USJKDEGRZSWMPD-MRVPVSSYSA-N 2 2 251.277 -0.583 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)NCC(F)(F)C[NH3+])C1 ZINC000190241383 352178566 /nfs/dbraw/zinc/17/85/66/352178566.db2.gz USJKDEGRZSWMPD-MRVPVSSYSA-N 2 2 251.277 -0.583 20 0 CBADLP C[C@@H](O)C[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000192709864 352199302 /nfs/dbraw/zinc/19/93/02/352199302.db2.gz FJBYFZMLBGKMEB-GFCCVEGCSA-N 2 2 255.362 -0.393 20 0 CBADLP O=C(NCCn1cc[nH+]c1)NCC[N@@H+]1CCCOCC1 ZINC000187816205 352143317 /nfs/dbraw/zinc/14/33/17/352143317.db2.gz ADIIBZMIQODVTB-UHFFFAOYSA-N 2 2 281.360 -0.095 20 0 CBADLP O=C(NCCn1cc[nH+]c1)NCC[N@H+]1CCCOCC1 ZINC000187816205 352143320 /nfs/dbraw/zinc/14/33/20/352143320.db2.gz ADIIBZMIQODVTB-UHFFFAOYSA-N 2 2 281.360 -0.095 20 0 CBADLP CCOCC[N@@H+]1CCN(C(=O)[C@H]2C[C@H](OC)C[NH2+]2)C[C@@H]1C ZINC000187950900 352144310 /nfs/dbraw/zinc/14/43/10/352144310.db2.gz KTSAHIRJASAEPQ-MELADBBJSA-N 2 2 299.415 -0.068 20 0 CBADLP CCOCC[N@H+]1CCN(C(=O)[C@H]2C[C@H](OC)C[NH2+]2)C[C@@H]1C ZINC000187950900 352144315 /nfs/dbraw/zinc/14/43/15/352144315.db2.gz KTSAHIRJASAEPQ-MELADBBJSA-N 2 2 299.415 -0.068 20 0 CBADLP C[C@H](CNC(=O)[C@H]1C[NH2+]CCO1)Cn1cc[nH+]c1 ZINC000188109126 352147756 /nfs/dbraw/zinc/14/77/56/352147756.db2.gz UXTACOQTKSRTPI-GHMZBOCLSA-N 2 2 252.318 -0.376 20 0 CBADLP C[C@@H]1CN(C(=O)[C@H]2C[NH2+]CCO2)C[C@@H]1[NH+]1CCOCC1 ZINC000188269544 352149802 /nfs/dbraw/zinc/14/98/02/352149802.db2.gz CCUBOSBKJIFLRB-FRRDWIJNSA-N 2 2 283.372 -0.846 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCN1CCN(C(=O)C[NH+](C)C)CC1 ZINC000192696315 352199923 /nfs/dbraw/zinc/19/99/23/352199923.db2.gz TZQOIFCHOAHETM-AWEZNQCLSA-N 2 2 298.431 -0.587 20 0 CBADLP C[C@H]1COCC[N@H+]1CCN1CCN(C(=O)C[NH+](C)C)CC1 ZINC000192696315 352199926 /nfs/dbraw/zinc/19/99/26/352199926.db2.gz TZQOIFCHOAHETM-AWEZNQCLSA-N 2 2 298.431 -0.587 20 0 CBADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)CC[C@H](C)[NH3+])CC1 ZINC000193293890 352204718 /nfs/dbraw/zinc/20/47/18/352204718.db2.gz AKOUFPAVOJDSQM-NWDGAFQWSA-N 2 2 296.415 -0.075 20 0 CBADLP COCCCNC(=O)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193644316 352207059 /nfs/dbraw/zinc/20/70/59/352207059.db2.gz ZVYWLPRFTRSIEF-TXEJJXNPSA-N 2 2 255.362 -0.368 20 0 CBADLP COCCCNC(=O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193644316 352207062 /nfs/dbraw/zinc/20/70/62/352207062.db2.gz ZVYWLPRFTRSIEF-TXEJJXNPSA-N 2 2 255.362 -0.368 20 0 CBADLP COCCCNC(=O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193644316 352207067 /nfs/dbraw/zinc/20/70/67/352207067.db2.gz ZVYWLPRFTRSIEF-TXEJJXNPSA-N 2 2 255.362 -0.368 20 0 CBADLP COCCCNC(=O)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193644316 352207069 /nfs/dbraw/zinc/20/70/69/352207069.db2.gz ZVYWLPRFTRSIEF-TXEJJXNPSA-N 2 2 255.362 -0.368 20 0 CBADLP C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193620181 352207330 /nfs/dbraw/zinc/20/73/30/352207330.db2.gz ATYSNEQIFIUCAR-MXWKQRLJSA-N 2 2 280.372 -0.144 20 0 CBADLP C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193620181 352207335 /nfs/dbraw/zinc/20/73/35/352207335.db2.gz ATYSNEQIFIUCAR-MXWKQRLJSA-N 2 2 280.372 -0.144 20 0 CBADLP C[C@H](C(=O)NC(=O)NC1CC1)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193620181 352207337 /nfs/dbraw/zinc/20/73/37/352207337.db2.gz ATYSNEQIFIUCAR-MXWKQRLJSA-N 2 2 280.372 -0.144 20 0 CBADLP C[C@H](C(=O)NC(=O)NC1CC1)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193620181 352207342 /nfs/dbraw/zinc/20/73/42/352207342.db2.gz ATYSNEQIFIUCAR-MXWKQRLJSA-N 2 2 280.372 -0.144 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227066736 352255780 /nfs/dbraw/zinc/25/57/80/352255780.db2.gz KXPPXPPOEPXEJA-NWDGAFQWSA-N 2 2 284.404 -0.360 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227066736 352255783 /nfs/dbraw/zinc/25/57/83/352255783.db2.gz KXPPXPPOEPXEJA-NWDGAFQWSA-N 2 2 284.404 -0.360 20 0 CBADLP CO[C@H](C[NH3+])C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000227344147 352256530 /nfs/dbraw/zinc/25/65/30/352256530.db2.gz GRDNMRKUOOMHHK-LLVKDONJSA-N 2 2 264.329 -0.296 20 0 CBADLP CO[C@H](C[NH3+])C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000227362656 352257136 /nfs/dbraw/zinc/25/71/36/352257136.db2.gz GULCAQWYKVPGRN-CYBMUJFWSA-N 2 2 278.356 -0.301 20 0 CBADLP CN(C)c1[nH+]cc(CNC[C@@](C)(O)C[NH+](C)C)n1C ZINC000227924634 352259675 /nfs/dbraw/zinc/25/96/75/352259675.db2.gz NAYMROVDSYUNSE-CYBMUJFWSA-N 2 2 269.393 -0.112 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@](C)(O)CC2)CC1 ZINC000230378954 352272572 /nfs/dbraw/zinc/27/25/72/352272572.db2.gz DEFXFJMWSBPPLH-CQSZACIVSA-N 2 2 269.389 -0.003 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@](C)(O)CC2)CC1 ZINC000230378954 352272574 /nfs/dbraw/zinc/27/25/74/352272574.db2.gz DEFXFJMWSBPPLH-CQSZACIVSA-N 2 2 269.389 -0.003 20 0 CBADLP CN(C)c1[nH+]cc(C[NH2+]CCS(=O)(=O)N(C)C)n1C ZINC000230987977 352274764 /nfs/dbraw/zinc/27/47/64/352274764.db2.gz GKPDVXYISYJVGL-UHFFFAOYSA-N 2 2 289.405 -0.533 20 0 CBADLP CC[NH+]1CCC([NH2+]CCS(=O)(=O)N(C)C)CC1 ZINC000230992378 352274901 /nfs/dbraw/zinc/27/49/01/352274901.db2.gz NQNFLHXTNDPIOH-UHFFFAOYSA-N 2 2 263.407 -0.048 20 0 CBADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NC(N)=O)[C@@H](C)C1 ZINC000245441259 352320746 /nfs/dbraw/zinc/32/07/46/352320746.db2.gz VHEJIWIAZNCXFO-VHSXEESVSA-N 2 2 256.350 -0.157 20 0 CBADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NC(N)=O)[C@@H](C)C1 ZINC000245441259 352320749 /nfs/dbraw/zinc/32/07/49/352320749.db2.gz VHEJIWIAZNCXFO-VHSXEESVSA-N 2 2 256.350 -0.157 20 0 CBADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NC(N)=O)[C@@H](C)C1 ZINC000245441259 352320751 /nfs/dbraw/zinc/32/07/51/352320751.db2.gz VHEJIWIAZNCXFO-VHSXEESVSA-N 2 2 256.350 -0.157 20 0 CBADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NC(N)=O)[C@@H](C)C1 ZINC000245441259 352320753 /nfs/dbraw/zinc/32/07/53/352320753.db2.gz VHEJIWIAZNCXFO-VHSXEESVSA-N 2 2 256.350 -0.157 20 0 CBADLP C[C@H](NC(=O)[C@H]1C[N@H+](C)CCO1)[C@H](C)[NH+]1CCOCC1 ZINC000245419253 352318828 /nfs/dbraw/zinc/31/88/28/352318828.db2.gz BJJLVOXDLLEHNQ-RWMBFGLXSA-N 2 2 285.388 -0.458 20 0 CBADLP CO[C@H](C[NH3+])CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000232118111 352279359 /nfs/dbraw/zinc/27/93/59/352279359.db2.gz RNAUCLSKQURESG-NSHDSACASA-N 2 2 273.377 -0.423 20 0 CBADLP O[C@H](C[NH2+]C[C@H](O)C(F)(F)F)C[NH+]1CCCC1 ZINC000236541447 352290533 /nfs/dbraw/zinc/29/05/33/352290533.db2.gz YVUJADDVNYZXCH-BDAKNGLRSA-N 2 2 256.268 -0.044 20 0 CBADLP COCC[NH2+]CC(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000237151996 352300731 /nfs/dbraw/zinc/30/07/31/352300731.db2.gz HDLLBCRWFOBLBD-UHFFFAOYSA-N 2 2 287.404 -0.208 20 0 CBADLP C[C@@H]([NH3+])C(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000237452457 352304755 /nfs/dbraw/zinc/30/47/55/352304755.db2.gz OWBKMYQXJGQJRI-NXEZZACHSA-N 2 2 268.361 -0.855 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1CCCC[NH2+]1)[NH+]1CCOCC1 ZINC000237434222 352305149 /nfs/dbraw/zinc/30/51/49/352305149.db2.gz BRPFRORBOXBHKY-NEPJUHHUSA-N 2 2 255.362 -0.035 20 0 CBADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)CCC[NH3+])CC1 ZINC000237472309 352305711 /nfs/dbraw/zinc/30/57/11/352305711.db2.gz KGAJRSAFMSBMCX-ZDUSSCGKSA-N 2 2 296.415 -0.120 20 0 CBADLP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)CN2CC[NH2+]CC2=O)C1 ZINC000237466879 352305730 /nfs/dbraw/zinc/30/57/30/352305730.db2.gz OHJMCRMPUWOWEN-WDEREUQCSA-N 2 2 268.361 -0.996 20 0 CBADLP C[C@H]([C@H](C)NC(=O)[C@@H]1CC[NH2+]C1)[NH+]1CCOCC1 ZINC000237456113 352305774 /nfs/dbraw/zinc/30/57/74/352305774.db2.gz AXLSTMUZNZDZDD-QJPTWQEYSA-N 2 2 255.362 -0.179 20 0 CBADLP C[C@@H]1CCC[N@H+](CCNC(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000237540382 352306922 /nfs/dbraw/zinc/30/69/22/352306922.db2.gz BCGIKHSFTMEAAK-NEPJUHHUSA-N 2 2 255.362 -0.177 20 0 CBADLP C[C@@H]1CCC[N@@H+](CCNC(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000237540382 352306923 /nfs/dbraw/zinc/30/69/23/352306923.db2.gz BCGIKHSFTMEAAK-NEPJUHHUSA-N 2 2 255.362 -0.177 20 0 CBADLP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C[C@@H]1C ZINC000245421220 352320287 /nfs/dbraw/zinc/32/02/87/352320287.db2.gz HUUWLNROSIZVEU-RWMBFGLXSA-N 2 2 285.388 -0.770 20 0 CBADLP C[C@H](O)C[N@H+]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C[C@@H]1C ZINC000245421220 352320291 /nfs/dbraw/zinc/32/02/91/352320291.db2.gz HUUWLNROSIZVEU-RWMBFGLXSA-N 2 2 285.388 -0.770 20 0 CBADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@@H]1C ZINC000245421220 352320295 /nfs/dbraw/zinc/32/02/95/352320295.db2.gz HUUWLNROSIZVEU-RWMBFGLXSA-N 2 2 285.388 -0.770 20 0 CBADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@@H]1C ZINC000245421220 352320298 /nfs/dbraw/zinc/32/02/98/352320298.db2.gz HUUWLNROSIZVEU-RWMBFGLXSA-N 2 2 285.388 -0.770 20 0 CBADLP C[C@@H](NC(=O)C[NH2+]C1CC1)[C@H](C)[NH+]1CCOCC1 ZINC000237602072 352307922 /nfs/dbraw/zinc/30/79/22/352307922.db2.gz XPVQZOKEZKTKBK-MNOVXSKESA-N 2 2 255.362 -0.036 20 0 CBADLP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)[C@@H]1CC[NH2+]C1 ZINC000238025172 352313140 /nfs/dbraw/zinc/31/31/40/352313140.db2.gz XQKBMPBGZSVGGX-TZMCWYRMSA-N 2 2 299.440 -0.080 20 0 CBADLP [NH3+][C@H]1CCN(C(=O)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000238059633 352313729 /nfs/dbraw/zinc/31/37/29/352313729.db2.gz ZLIAPFXBFQGOES-ZDUSSCGKSA-N 2 2 289.383 -0.237 20 0 CBADLP CN(CC[N@H+](C)[C@H]1CCNC1=O)C1CC[NH+](C)CC1 ZINC000245621999 352322309 /nfs/dbraw/zinc/32/23/09/352322309.db2.gz NXPLZZAJEPBQLS-ZDUSSCGKSA-N 2 2 268.405 -0.167 20 0 CBADLP CN(CC[N@@H+](C)[C@H]1CCNC1=O)C1CC[NH+](C)CC1 ZINC000245621999 352322311 /nfs/dbraw/zinc/32/23/11/352322311.db2.gz NXPLZZAJEPBQLS-ZDUSSCGKSA-N 2 2 268.405 -0.167 20 0 CBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)[C@H]1CCNC1=O ZINC000245621999 352322312 /nfs/dbraw/zinc/32/23/12/352322312.db2.gz NXPLZZAJEPBQLS-ZDUSSCGKSA-N 2 2 268.405 -0.167 20 0 CBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)[C@H]1CCNC1=O ZINC000245621999 352322313 /nfs/dbraw/zinc/32/23/13/352322313.db2.gz NXPLZZAJEPBQLS-ZDUSSCGKSA-N 2 2 268.405 -0.167 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)C[C@H](C)O)CC1 ZINC000245734153 352324392 /nfs/dbraw/zinc/32/43/92/352324392.db2.gz CTHVUPYFIHEHFM-RYUDHWBXSA-N 2 2 257.378 -0.148 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)C[C@H](C)O)CC1 ZINC000245734153 352324396 /nfs/dbraw/zinc/32/43/96/352324396.db2.gz CTHVUPYFIHEHFM-RYUDHWBXSA-N 2 2 257.378 -0.148 20 0 CBADLP CC[C@H](C)[C@H]([NH3+])C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000245992152 352326599 /nfs/dbraw/zinc/32/65/99/352326599.db2.gz QVQFQNPZWCIWIK-XQQFMLRXSA-N 2 2 287.404 -0.489 20 0 CBADLP NC(=O)[C@@H]1CCC[NH+]1CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000246951936 352340646 /nfs/dbraw/zinc/34/06/46/352340646.db2.gz KBBPUGLKCZBDEH-QWRGUYRKSA-N 2 2 268.361 -0.724 20 0 CBADLP NC(=O)[C@@H]1CCC[NH+]1CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000246951936 352340651 /nfs/dbraw/zinc/34/06/51/352340651.db2.gz KBBPUGLKCZBDEH-QWRGUYRKSA-N 2 2 268.361 -0.724 20 0 CBADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)N3CCNC3=O)CC[C@H]21 ZINC000247286441 352344654 /nfs/dbraw/zinc/34/46/54/352344654.db2.gz TWOFLYQSWSIHBJ-VXGBXAGGSA-N 2 2 280.372 -0.046 20 0 CBADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)N3CCNC3=O)CC[C@H]21 ZINC000247286441 352344658 /nfs/dbraw/zinc/34/46/58/352344658.db2.gz TWOFLYQSWSIHBJ-VXGBXAGGSA-N 2 2 280.372 -0.046 20 0 CBADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)N3CCNC3=O)CC[C@H]21 ZINC000247286441 352344662 /nfs/dbraw/zinc/34/46/62/352344662.db2.gz TWOFLYQSWSIHBJ-VXGBXAGGSA-N 2 2 280.372 -0.046 20 0 CBADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)N3CCNC3=O)CC[C@H]21 ZINC000247286441 352344667 /nfs/dbraw/zinc/34/46/67/352344667.db2.gz TWOFLYQSWSIHBJ-VXGBXAGGSA-N 2 2 280.372 -0.046 20 0 CBADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)NC(N)=O)CC[C@H]21 ZINC000248001978 352350744 /nfs/dbraw/zinc/35/07/44/352350744.db2.gz KLZPONCQOTXPHR-NXEZZACHSA-N 2 2 254.334 -0.403 20 0 CBADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)NC(N)=O)CC[C@H]21 ZINC000248001978 352350749 /nfs/dbraw/zinc/35/07/49/352350749.db2.gz KLZPONCQOTXPHR-NXEZZACHSA-N 2 2 254.334 -0.403 20 0 CBADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)NC(N)=O)CC[C@H]21 ZINC000248001978 352350751 /nfs/dbraw/zinc/35/07/51/352350751.db2.gz KLZPONCQOTXPHR-NXEZZACHSA-N 2 2 254.334 -0.403 20 0 CBADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)NC(N)=O)CC[C@H]21 ZINC000248001978 352350754 /nfs/dbraw/zinc/35/07/54/352350754.db2.gz KLZPONCQOTXPHR-NXEZZACHSA-N 2 2 254.334 -0.403 20 0 CBADLP [NH3+]C[C@H]1CC[C@@H](C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)O1 ZINC000261909020 352399452 /nfs/dbraw/zinc/39/94/52/352399452.db2.gz XJKMFQYMQDQXQO-NEPJUHHUSA-N 2 2 293.371 -0.440 20 0 CBADLP CC[C@@H](C(=O)N1CC[N@H+](CCO)[C@@H](C)C1)[NH+](C)C ZINC000249515775 352367035 /nfs/dbraw/zinc/36/70/35/352367035.db2.gz QSQBJKSVLSDDGS-RYUDHWBXSA-N 2 2 257.378 -0.148 20 0 CBADLP CC[C@@H](C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1)[NH+](C)C ZINC000249515775 352367038 /nfs/dbraw/zinc/36/70/38/352367038.db2.gz QSQBJKSVLSDDGS-RYUDHWBXSA-N 2 2 257.378 -0.148 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCN1CC[NH+](CCO)[C@@H](C)C1 ZINC000249607585 352369941 /nfs/dbraw/zinc/36/99/41/352369941.db2.gz RNFMVTMDAFFRSR-UONOGXRCSA-N 2 2 271.405 -0.295 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCN1CC[NH+](CCO)[C@@H](C)C1 ZINC000249607585 352369945 /nfs/dbraw/zinc/36/99/45/352369945.db2.gz RNFMVTMDAFFRSR-UONOGXRCSA-N 2 2 271.405 -0.295 20 0 CBADLP C[C@@H]1COCC[NH+]1CCN1CC[N@H+](CCO)[C@@H](C)C1 ZINC000249607585 352369946 /nfs/dbraw/zinc/36/99/46/352369946.db2.gz RNFMVTMDAFFRSR-UONOGXRCSA-N 2 2 271.405 -0.295 20 0 CBADLP C[C@@H]1COCC[NH+]1CCN1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000249607585 352369950 /nfs/dbraw/zinc/36/99/50/352369950.db2.gz RNFMVTMDAFFRSR-UONOGXRCSA-N 2 2 271.405 -0.295 20 0 CBADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000250303076 352372302 /nfs/dbraw/zinc/37/23/02/352372302.db2.gz QWMBEDSOZUPLSP-GUBZILKMSA-N 2 2 256.350 -0.110 20 0 CBADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000250303076 352372306 /nfs/dbraw/zinc/37/23/06/352372306.db2.gz QWMBEDSOZUPLSP-GUBZILKMSA-N 2 2 256.350 -0.110 20 0 CBADLP COC(=O)[C@H](CC(C)C)NC(=O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000252453309 352377044 /nfs/dbraw/zinc/37/70/44/352377044.db2.gz GXDDWPLMOBJOOJ-AVGNSLFASA-N 2 2 297.399 -0.159 20 0 CBADLP CCNC(=O)NC(=O)[C@H](C)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000252453550 352377728 /nfs/dbraw/zinc/37/77/28/352377728.db2.gz NMWKCUYYOXDVJA-GUBZILKMSA-N 2 2 254.334 -0.628 20 0 CBADLP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000252651450 352379548 /nfs/dbraw/zinc/37/95/48/352379548.db2.gz NCRNAYWPZDYPLV-SRVKXCTJSA-N 2 2 255.362 -0.179 20 0 CBADLP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000252651450 352379550 /nfs/dbraw/zinc/37/95/50/352379550.db2.gz NCRNAYWPZDYPLV-SRVKXCTJSA-N 2 2 255.362 -0.179 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H]3CC[C@@H](O)[C@H]3C2)CC1 ZINC000252859920 352380855 /nfs/dbraw/zinc/38/08/55/352380855.db2.gz JMCYQVYBBBMFOT-RWMBFGLXSA-N 2 2 267.373 -0.537 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2C[C@@H]3CC[C@@H](O)[C@H]3C2)CC1 ZINC000252859920 352380860 /nfs/dbraw/zinc/38/08/60/352380860.db2.gz JMCYQVYBBBMFOT-RWMBFGLXSA-N 2 2 267.373 -0.537 20 0 CBADLP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261572131 352388295 /nfs/dbraw/zinc/38/82/95/352388295.db2.gz LLIPWSSAYYTYNY-SKDRFNHKSA-N 2 2 256.350 -0.109 20 0 CBADLP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261572131 352388298 /nfs/dbraw/zinc/38/82/98/352388298.db2.gz LLIPWSSAYYTYNY-SKDRFNHKSA-N 2 2 256.350 -0.109 20 0 CBADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261586054 352389845 /nfs/dbraw/zinc/38/98/45/352389845.db2.gz IRHNBLJSMQHUBP-AXFHLTTASA-N 2 2 268.361 -0.096 20 0 CBADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261586054 352389847 /nfs/dbraw/zinc/38/98/47/352389847.db2.gz IRHNBLJSMQHUBP-AXFHLTTASA-N 2 2 268.361 -0.096 20 0 CBADLP O=C(C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1)N1CCOCC1 ZINC000261588997 352389933 /nfs/dbraw/zinc/38/99/33/352389933.db2.gz WAUPIFBYAYJYNB-CYBMUJFWSA-N 2 2 253.346 -0.469 20 0 CBADLP O=C(C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)N1CCOCC1 ZINC000261588997 352389935 /nfs/dbraw/zinc/38/99/35/352389935.db2.gz WAUPIFBYAYJYNB-CYBMUJFWSA-N 2 2 253.346 -0.469 20 0 CBADLP CC[C@@H](C)NC(=O)C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261620947 352391796 /nfs/dbraw/zinc/39/17/96/352391796.db2.gz UQRAULFTBXLNNC-OLZOCXBDSA-N 2 2 268.405 -0.119 20 0 CBADLP COC[C@@]1(C(=O)NCC(C)(C)[NH+]2CCOCC2)CC[NH2+]C1 ZINC000261661383 352392860 /nfs/dbraw/zinc/39/28/60/352392860.db2.gz KQABREAQDISWIU-OAHLLOKOSA-N 2 2 299.415 -0.161 20 0 CBADLP CC(C)(C(N)=O)[NH+]1CCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000261707532 352394282 /nfs/dbraw/zinc/39/42/82/352394282.db2.gz DDMSRYIHVXKQKB-AWEZNQCLSA-N 2 2 268.405 -0.133 20 0 CBADLP CC(C)(C(N)=O)N1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000261707532 352394286 /nfs/dbraw/zinc/39/42/86/352394286.db2.gz DDMSRYIHVXKQKB-AWEZNQCLSA-N 2 2 268.405 -0.133 20 0 CBADLP O=C([C@@H]1CCC[NH2+]1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000261687767 352394311 /nfs/dbraw/zinc/39/43/11/352394311.db2.gz KKLUFVCIOJHLIO-NSHDSACASA-N 2 2 263.345 -0.194 20 0 CBADLP C[C@H]([NH3+])CC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000261761566 352395285 /nfs/dbraw/zinc/39/52/85/352395285.db2.gz IBGJGYJCRILFLF-NSHDSACASA-N 2 2 281.360 -0.109 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261763795 352395483 /nfs/dbraw/zinc/39/54/83/352395483.db2.gz VFZDBXWWGPHQAZ-OLZOCXBDSA-N 2 2 296.415 -0.488 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261763795 352395487 /nfs/dbraw/zinc/39/54/87/352395487.db2.gz VFZDBXWWGPHQAZ-OLZOCXBDSA-N 2 2 296.415 -0.488 20 0 CBADLP C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261805489 352397331 /nfs/dbraw/zinc/39/73/31/352397331.db2.gz OJHWQLWIRLSSML-XHDPSFHLSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261805489 352397335 /nfs/dbraw/zinc/39/73/35/352397335.db2.gz OJHWQLWIRLSSML-XHDPSFHLSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261805480 352397915 /nfs/dbraw/zinc/39/79/15/352397915.db2.gz OJHWQLWIRLSSML-ABAIWWIYSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261805480 352397917 /nfs/dbraw/zinc/39/79/17/352397917.db2.gz OJHWQLWIRLSSML-ABAIWWIYSA-N 2 2 296.415 -0.217 20 0 CBADLP CCNS(=O)(=O)[C@H]1CC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000261880833 352398430 /nfs/dbraw/zinc/39/84/30/352398430.db2.gz QYDPLIGPAXOSRD-NWDGAFQWSA-N 2 2 275.418 0.000 20 0 CBADLP CCNS(=O)(=O)[C@H]1CC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000261880833 352398433 /nfs/dbraw/zinc/39/84/33/352398433.db2.gz QYDPLIGPAXOSRD-NWDGAFQWSA-N 2 2 275.418 0.000 20 0 CBADLP CCNS(=O)(=O)[C@@H]1CC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261880832 352398539 /nfs/dbraw/zinc/39/85/39/352398539.db2.gz QYDPLIGPAXOSRD-NEPJUHHUSA-N 2 2 275.418 0.000 20 0 CBADLP CCNS(=O)(=O)[C@@H]1CC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261880832 352398541 /nfs/dbraw/zinc/39/85/41/352398541.db2.gz QYDPLIGPAXOSRD-NEPJUHHUSA-N 2 2 275.418 0.000 20 0 CBADLP CCNC(=O)C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000262150221 352408472 /nfs/dbraw/zinc/40/84/72/352408472.db2.gz RDNZUOHABLBVNH-NSHDSACASA-N 2 2 268.361 -0.981 20 0 CBADLP CCNC(=O)C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000262150221 352408476 /nfs/dbraw/zinc/40/84/76/352408476.db2.gz RDNZUOHABLBVNH-NSHDSACASA-N 2 2 268.361 -0.981 20 0 CBADLP O=C(N1CC[NH+](CCO)CC1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262317607 352415753 /nfs/dbraw/zinc/41/57/53/352415753.db2.gz DQUFKQJBEQVGMO-DZGCQCFKSA-N 2 2 281.400 -0.097 20 0 CBADLP COC[C@@H]([NH3+])C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000262327053 352416189 /nfs/dbraw/zinc/41/61/89/352416189.db2.gz RDAOZJSGEQMHQS-VXGBXAGGSA-N 2 2 271.361 -0.717 20 0 CBADLP CC1(C)COCC[N@@H+]1CCNC(=O)C[C@H]1COCC[NH2+]1 ZINC000262401247 352420263 /nfs/dbraw/zinc/42/02/63/352420263.db2.gz POOOOZQNJMWRMU-LBPRGKRZSA-N 2 2 285.388 -0.408 20 0 CBADLP CC1(C)COCC[N@H+]1CCNC(=O)C[C@H]1COCC[NH2+]1 ZINC000262401247 352420266 /nfs/dbraw/zinc/42/02/66/352420266.db2.gz POOOOZQNJMWRMU-LBPRGKRZSA-N 2 2 285.388 -0.408 20 0 CBADLP O=C([C@@H]1C[C@@]12CC[NH2+]C2)N1CC[NH+](CCO)CC1 ZINC000262413891 352421461 /nfs/dbraw/zinc/42/14/61/352421461.db2.gz QWKORUDZVHHBCH-WCQYABFASA-N 2 2 253.346 -0.878 20 0 CBADLP C[C@@H](C[NH3+])C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000262463568 352422334 /nfs/dbraw/zinc/42/23/34/352422334.db2.gz XNGYYOSQUDTGKN-NSHDSACASA-N 3 2 256.394 -0.277 20 0 CBADLP C[NH2+][C@H](C(=O)NCC[N@@H+]1CCOC[C@@H]1C)c1cnn(C)c1 ZINC000262457385 352422345 /nfs/dbraw/zinc/42/23/45/352422345.db2.gz WUILMDVYEPFPGP-AAEUAGOBSA-N 2 2 295.387 -0.483 20 0 CBADLP C[NH2+][C@H](C(=O)NCC[N@H+]1CCOC[C@@H]1C)c1cnn(C)c1 ZINC000262457385 352422349 /nfs/dbraw/zinc/42/23/49/352422349.db2.gz WUILMDVYEPFPGP-AAEUAGOBSA-N 2 2 295.387 -0.483 20 0 CBADLP CC(C)OCC[NH+]1CCN(C(=O)C[C@@H]2COCC[NH2+]2)CC1 ZINC000262451779 352422641 /nfs/dbraw/zinc/42/26/41/352422641.db2.gz WCVAEDQUKIAIJT-CQSZACIVSA-N 2 2 299.415 -0.066 20 0 CBADLP O=C(NCCCNc1cccc[nH+]1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000262485714 352423430 /nfs/dbraw/zinc/42/34/30/352423430.db2.gz YRAIXBBYMZEDAJ-QWRGUYRKSA-N 2 2 264.329 -0.277 20 0 CBADLP O=C([C@H]1CSC[NH2+]1)N1CC[NH+](C2CCOCC2)CC1 ZINC000262636851 352429275 /nfs/dbraw/zinc/42/92/75/352429275.db2.gz GMFCSXKQACUTKJ-GFCCVEGCSA-N 2 2 285.413 -0.028 20 0 CBADLP CC[NH+]1CCN(CCCNC(=O)[C@@H]2CSC[NH2+]2)CC1 ZINC000262673846 352430469 /nfs/dbraw/zinc/43/04/69/352430469.db2.gz QJNXWTZMCJNFFM-LBPRGKRZSA-N 2 2 286.445 -0.207 20 0 CBADLP CCN1CC[NH+](CCCNC(=O)[C@@H]2CSC[NH2+]2)CC1 ZINC000262673846 352430474 /nfs/dbraw/zinc/43/04/74/352430474.db2.gz QJNXWTZMCJNFFM-LBPRGKRZSA-N 2 2 286.445 -0.207 20 0 CBADLP CC[NH+]1CCN(CCCNC(=O)[C@H]2CSC[NH2+]2)CC1 ZINC000262673845 352430744 /nfs/dbraw/zinc/43/07/44/352430744.db2.gz QJNXWTZMCJNFFM-GFCCVEGCSA-N 2 2 286.445 -0.207 20 0 CBADLP CCN1CC[NH+](CCCNC(=O)[C@H]2CSC[NH2+]2)CC1 ZINC000262673845 352430745 /nfs/dbraw/zinc/43/07/45/352430745.db2.gz QJNXWTZMCJNFFM-GFCCVEGCSA-N 2 2 286.445 -0.207 20 0 CBADLP [NH3+]CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000263066506 352437694 /nfs/dbraw/zinc/43/76/94/352437694.db2.gz WABZTOXCRUVUPB-NEPJUHHUSA-N 3 2 254.378 -0.475 20 0 CBADLP [NH3+]CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000263066506 352437697 /nfs/dbraw/zinc/43/76/97/352437697.db2.gz WABZTOXCRUVUPB-NEPJUHHUSA-N 3 2 254.378 -0.475 20 0 CBADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263245722 352440062 /nfs/dbraw/zinc/44/00/62/352440062.db2.gz PFYYACHLHPNASM-GHMZBOCLSA-N 2 2 290.358 -0.264 20 0 CBADLP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C[C@@H]1C ZINC000263299111 352442756 /nfs/dbraw/zinc/44/27/56/352442756.db2.gz WVCKVUXVNXCPRM-DCAQKATOSA-N 2 2 291.342 -0.103 20 0 CBADLP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C[C@@H]1C ZINC000263299111 352442759 /nfs/dbraw/zinc/44/27/59/352442759.db2.gz WVCKVUXVNXCPRM-DCAQKATOSA-N 2 2 291.342 -0.103 20 0 CBADLP O=C(CC[N@@H+]1CCN(C2CC2)C(=O)C1)N1CC[NH2+]CC1 ZINC000262012853 352403405 /nfs/dbraw/zinc/40/34/05/352403405.db2.gz FOXGDTXYKIJMCW-UHFFFAOYSA-N 2 2 280.372 -0.885 20 0 CBADLP O=C(CC[N@H+]1CCN(C2CC2)C(=O)C1)N1CC[NH2+]CC1 ZINC000262012853 352403407 /nfs/dbraw/zinc/40/34/07/352403407.db2.gz FOXGDTXYKIJMCW-UHFFFAOYSA-N 2 2 280.372 -0.885 20 0 CBADLP C[C@@H]1CN(C(=O)C[C@H]2COCC[NH2+]2)C[C@H]1[NH+]1CCOCC1 ZINC000262024129 352404219 /nfs/dbraw/zinc/40/42/19/352404219.db2.gz ATAZPXYFZMGKLF-HZSPNIEDSA-N 2 2 297.399 -0.456 20 0 CBADLP Cc1[nH+]ccn1CCC[N@@H+]1CCO[C@@H](C(N)=O)C1 ZINC000269131710 352462425 /nfs/dbraw/zinc/46/24/25/352462425.db2.gz LOWYQJPBQOJYKR-LLVKDONJSA-N 2 2 252.318 -0.232 20 0 CBADLP Cc1[nH+]ccn1CCC[N@H+]1CCO[C@@H](C(N)=O)C1 ZINC000269131710 352462429 /nfs/dbraw/zinc/46/24/29/352462429.db2.gz LOWYQJPBQOJYKR-LLVKDONJSA-N 2 2 252.318 -0.232 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000269687391 352479371 /nfs/dbraw/zinc/47/93/71/352479371.db2.gz IDLHNZCRPWUIFF-DGCLKSJQSA-N 2 2 283.376 -0.117 20 0 CBADLP NC(=O)C[C@H]([NH3+])C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000269729671 352480565 /nfs/dbraw/zinc/48/05/65/352480565.db2.gz RXUKYHGNXHCQOQ-JTQLQIEISA-N 2 2 296.396 -0.575 20 0 CBADLP NC(=O)C[C@H]([NH3+])C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000269729671 352480567 /nfs/dbraw/zinc/48/05/67/352480567.db2.gz RXUKYHGNXHCQOQ-JTQLQIEISA-N 2 2 296.396 -0.575 20 0 CBADLP CN(C)c1ncc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)cn1 ZINC000269802452 352481546 /nfs/dbraw/zinc/48/15/46/352481546.db2.gz JSSFXFSWWQZTFJ-CYBMUJFWSA-N 2 2 267.377 -0.055 20 0 CBADLP C[NH+](C)[C@H](CNC(=O)C[N@H+](C)CC(N)=O)c1ccccc1 ZINC000274678263 352543289 /nfs/dbraw/zinc/54/32/89/352543289.db2.gz VZURYYDOOYDBBL-CYBMUJFWSA-N 2 2 292.383 -0.177 20 0 CBADLP C[NH+](C)[C@H](CNC(=O)C[N@@H+](C)CC(N)=O)c1ccccc1 ZINC000274678263 352543294 /nfs/dbraw/zinc/54/32/94/352543294.db2.gz VZURYYDOOYDBBL-CYBMUJFWSA-N 2 2 292.383 -0.177 20 0 CBADLP Cc1[nH+]ccn1CCN1CCN(C(=O)C[NH+](C)C)CC1 ZINC000270787115 352501270 /nfs/dbraw/zinc/50/12/70/352501270.db2.gz BKXGIWYPHKSKIC-UHFFFAOYSA-N 2 2 279.388 -0.103 20 0 CBADLP Cc1[nH+]ccn1CC[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000270787115 352501273 /nfs/dbraw/zinc/50/12/73/352501273.db2.gz BKXGIWYPHKSKIC-UHFFFAOYSA-N 3 2 279.388 -0.103 20 0 CBADLP C[NH+](C)CC(=O)NCc1csc(NC(=O)C[NH+](C)C)n1 ZINC000275148573 352553578 /nfs/dbraw/zinc/55/35/78/352553578.db2.gz RHTCDAMBJQOECI-UHFFFAOYSA-N 2 2 299.400 -0.179 20 0 CBADLP C[NH+]1CCN(C(=O)CCSc2nc(N)cc(N)[nH+]2)CC1 ZINC000282941375 352613682 /nfs/dbraw/zinc/61/36/82/352613682.db2.gz HIMSEBHHOQFJKJ-UHFFFAOYSA-N 2 2 296.400 -0.103 20 0 CBADLP C[C@@H](CNC(=O)C(=O)NCc1[nH+]ccn1C)[N@H+](C)C1CC1 ZINC000287695994 352659307 /nfs/dbraw/zinc/65/93/07/352659307.db2.gz DVOOJHJWXCXLAP-JTQLQIEISA-N 2 2 293.371 -0.365 20 0 CBADLP C[C@@H](CNC(=O)C(=O)NCc1[nH+]ccn1C)[N@@H+](C)C1CC1 ZINC000287695994 352659311 /nfs/dbraw/zinc/65/93/11/352659311.db2.gz DVOOJHJWXCXLAP-JTQLQIEISA-N 2 2 293.371 -0.365 20 0 CBADLP CCN(CCC[NH+](C)C)C(=O)C(=O)NCCn1cc[nH+]c1 ZINC000284114260 352634636 /nfs/dbraw/zinc/63/46/36/352634636.db2.gz VYHVGOAVWROODZ-UHFFFAOYSA-N 2 2 295.387 -0.201 20 0 CBADLP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCCn1cc[nH+]c1 ZINC000284154240 352635726 /nfs/dbraw/zinc/63/57/26/352635726.db2.gz YFIOYAUUGGPJKX-LBPRGKRZSA-N 2 2 293.371 -0.400 20 0 CBADLP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCCn1cc[nH+]c1 ZINC000284154240 352635729 /nfs/dbraw/zinc/63/57/29/352635729.db2.gz YFIOYAUUGGPJKX-LBPRGKRZSA-N 2 2 293.371 -0.400 20 0 CBADLP C[N@@H+]1CCO[C@@H](CNC(=O)N2CCn3c[nH+]cc3C2)C1 ZINC000291111373 352681598 /nfs/dbraw/zinc/68/15/98/352681598.db2.gz XBOIAVJHWXSNHU-LBPRGKRZSA-N 2 2 279.344 -0.261 20 0 CBADLP C[NH+](C)CC(=O)N1CCN(c2cc[nH+]cc2C(N)=O)CC1 ZINC000302125575 352738859 /nfs/dbraw/zinc/73/88/59/352738859.db2.gz AJUQFOHLQFCSNY-UHFFFAOYSA-N 2 2 291.355 -0.609 20 0 CBADLP CNC(=O)C[NH+]1CCC(Nc2cc[nH+]cc2C(N)=O)CC1 ZINC000302242125 352739073 /nfs/dbraw/zinc/73/90/73/352739073.db2.gz YJHOSEUNDZNGTG-UHFFFAOYSA-N 2 2 291.355 -0.197 20 0 CBADLP C[NH+](C)CC(=O)N1CC[NH+](CCCCCO)CC1 ZINC000303380522 352743841 /nfs/dbraw/zinc/74/38/41/352743841.db2.gz RDZOFDUHRWISQT-UHFFFAOYSA-N 2 2 257.378 -0.145 20 0 CBADLP Cn1ncc2c1nc(NC[C@](C)(O)C[NH+](C)C)[nH+]c2N ZINC000302873318 352744361 /nfs/dbraw/zinc/74/43/61/352744361.db2.gz CYHQAHBSLSTKQK-LBPRGKRZSA-N 2 2 279.348 -0.330 20 0 CBADLP CC1CC[NH+](CC(=O)N2CC[NH+](CCO)CC2)CC1 ZINC000305039293 352747755 /nfs/dbraw/zinc/74/77/55/352747755.db2.gz CGTRTBRALGBWTA-UHFFFAOYSA-N 2 2 269.389 -0.145 20 0 CBADLP CNC(=O)[C@H]1CCC[N@H+](C[C@H](O)C[NH+](C)CCOC)C1 ZINC000312643554 352776136 /nfs/dbraw/zinc/77/61/36/352776136.db2.gz XNEIQLXNOLOTKX-QWHCGFSZSA-N 2 2 287.404 -0.617 20 0 CBADLP O=C(CO)N1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000305777192 352750581 /nfs/dbraw/zinc/75/05/81/352750581.db2.gz LHJRHFIGYRGMJS-UHFFFAOYSA-N 2 2 252.318 -0.590 20 0 CBADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H]1CCC[C@H]1O ZINC000305760150 352751014 /nfs/dbraw/zinc/75/10/14/352751014.db2.gz JMOLNNUVBMMIDP-CHWSQXEVSA-N 2 2 269.389 -0.147 20 0 CBADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H]1CCC[C@H]1O ZINC000305760150 352751019 /nfs/dbraw/zinc/75/10/19/352751019.db2.gz JMOLNNUVBMMIDP-CHWSQXEVSA-N 2 2 269.389 -0.147 20 0 CBADLP CNC(=O)[C@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)CCOC)C1 ZINC000312643554 352776139 /nfs/dbraw/zinc/77/61/39/352776139.db2.gz XNEIQLXNOLOTKX-QWHCGFSZSA-N 2 2 287.404 -0.617 20 0 CBADLP CNC(=O)[C@H]1CCC[NH+](C[C@H](O)C[N@H+](C)CCOC)C1 ZINC000312643554 352776142 /nfs/dbraw/zinc/77/61/42/352776142.db2.gz XNEIQLXNOLOTKX-QWHCGFSZSA-N 2 2 287.404 -0.617 20 0 CBADLP CNC(=O)[C@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)CCOC)C1 ZINC000312643554 352776143 /nfs/dbraw/zinc/77/61/43/352776143.db2.gz XNEIQLXNOLOTKX-QWHCGFSZSA-N 2 2 287.404 -0.617 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](CO)C1 ZINC000310844952 352762401 /nfs/dbraw/zinc/76/24/01/352762401.db2.gz IEBWBYUJQDGCNJ-STQMWFEESA-N 2 2 260.378 -0.370 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](CO)C1 ZINC000310844952 352762404 /nfs/dbraw/zinc/76/24/04/352762404.db2.gz IEBWBYUJQDGCNJ-STQMWFEESA-N 2 2 260.378 -0.370 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](CO)C1 ZINC000310844952 352762406 /nfs/dbraw/zinc/76/24/06/352762406.db2.gz IEBWBYUJQDGCNJ-STQMWFEESA-N 2 2 260.378 -0.370 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](CO)C1 ZINC000310844952 352762409 /nfs/dbraw/zinc/76/24/09/352762409.db2.gz IEBWBYUJQDGCNJ-STQMWFEESA-N 2 2 260.378 -0.370 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](O)C1(C)C ZINC000310860246 352763267 /nfs/dbraw/zinc/76/32/67/352763267.db2.gz RKLHDXMBCNNVDM-RYUDHWBXSA-N 2 2 260.378 -0.229 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](O)C1(C)C ZINC000310860246 352763270 /nfs/dbraw/zinc/76/32/70/352763270.db2.gz RKLHDXMBCNNVDM-RYUDHWBXSA-N 2 2 260.378 -0.229 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](O)C1(C)C ZINC000310860246 352763274 /nfs/dbraw/zinc/76/32/74/352763274.db2.gz RKLHDXMBCNNVDM-RYUDHWBXSA-N 2 2 260.378 -0.229 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](O)C1(C)C ZINC000310860246 352763275 /nfs/dbraw/zinc/76/32/75/352763275.db2.gz RKLHDXMBCNNVDM-RYUDHWBXSA-N 2 2 260.378 -0.229 20 0 CBADLP CCNC(=O)C(C)(C)[NH2+]C[C@@H](O)C[N@H+](C)CCOC ZINC000313066178 352776979 /nfs/dbraw/zinc/77/69/79/352776979.db2.gz XHUHVTSUAWSAOH-LLVKDONJSA-N 2 2 275.393 -0.570 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(CO)CC1 ZINC000311169750 352766372 /nfs/dbraw/zinc/76/63/72/352766372.db2.gz RXNYEGNFXOLVQF-ZDUSSCGKSA-N 2 2 260.378 -0.370 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC(CO)CC1 ZINC000311169750 352766373 /nfs/dbraw/zinc/76/63/73/352766373.db2.gz RXNYEGNFXOLVQF-ZDUSSCGKSA-N 2 2 260.378 -0.370 20 0 CBADLP CCNC(=O)C(C)(C)[NH2+]C[C@@H](O)C[N@@H+](C)CCOC ZINC000313066178 352776983 /nfs/dbraw/zinc/77/69/83/352776983.db2.gz XHUHVTSUAWSAOH-LLVKDONJSA-N 2 2 275.393 -0.570 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC(C(=O)OC)CC1 ZINC000313117204 352777338 /nfs/dbraw/zinc/77/73/38/352777338.db2.gz OVKDRSCQWLUXLA-CYBMUJFWSA-N 2 2 288.388 -0.190 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(C(=O)OC)CC1 ZINC000313117204 352777341 /nfs/dbraw/zinc/77/73/41/352777341.db2.gz OVKDRSCQWLUXLA-CYBMUJFWSA-N 2 2 288.388 -0.190 20 0 CBADLP O[C@@H](CN1CC[NH+](C2CCC2)CC1)C[NH+]1CCOCC1 ZINC000312150242 352773995 /nfs/dbraw/zinc/77/39/95/352773995.db2.gz ROZGPPHKGYRDSY-HNNXBMFYSA-N 2 2 283.416 -0.150 20 0 CBADLP C[C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC[N@@H+]1CCO ZINC000330296790 352812478 /nfs/dbraw/zinc/81/24/78/352812478.db2.gz GMBWFNFFVBMSAH-OLZOCXBDSA-N 2 2 292.383 -0.030 20 0 CBADLP C[C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC[N@H+]1CCO ZINC000330296790 352812481 /nfs/dbraw/zinc/81/24/81/352812481.db2.gz GMBWFNFFVBMSAH-OLZOCXBDSA-N 2 2 292.383 -0.030 20 0 CBADLP CS(=O)(=O)N[C@H]1CC[N@H+](CCn2cc[nH+]c2)C1 ZINC000330364699 352813467 /nfs/dbraw/zinc/81/34/67/352813467.db2.gz UZHIVTTUBJNVJP-JTQLQIEISA-N 2 2 258.347 -0.493 20 0 CBADLP CS(=O)(=O)N[C@H]1CC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000330364699 352813469 /nfs/dbraw/zinc/81/34/69/352813469.db2.gz UZHIVTTUBJNVJP-JTQLQIEISA-N 2 2 258.347 -0.493 20 0 CBADLP CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CCn1cc[nH+]c1 ZINC000330367008 352815286 /nfs/dbraw/zinc/81/52/86/352815286.db2.gz IZFZCSCOSUOBKS-LLVKDONJSA-N 2 2 272.374 -0.103 20 0 CBADLP CNS(=O)(=O)C[C@H]1CCC[N@H+]1CCn1cc[nH+]c1 ZINC000330367008 352815290 /nfs/dbraw/zinc/81/52/90/352815290.db2.gz IZFZCSCOSUOBKS-LLVKDONJSA-N 2 2 272.374 -0.103 20 0 CBADLP CC[C@@H](C(=O)NCC[NH+]1CCN(C(C)=O)CC1)[NH+](C)C ZINC000330414375 352821871 /nfs/dbraw/zinc/82/18/71/352821871.db2.gz BECKUWFUAKLELX-ZDUSSCGKSA-N 2 2 284.404 -0.393 20 0 CBADLP CC[C@@H](C(=O)N1CC[NH+](CCn2cncn2)CC1)[NH+](C)C ZINC000330448770 352826412 /nfs/dbraw/zinc/82/64/12/352826412.db2.gz ZEWLMFOXJKCSQI-ZDUSSCGKSA-N 2 2 294.403 -0.238 20 0 CBADLP CCCCn1nnnc1C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000313758342 352779036 /nfs/dbraw/zinc/77/90/36/352779036.db2.gz HZIQQFWCZPJECQ-CYBMUJFWSA-N 2 2 293.419 -0.047 20 0 CBADLP CCCCn1nnnc1C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000313758342 352779040 /nfs/dbraw/zinc/77/90/40/352779040.db2.gz HZIQQFWCZPJECQ-CYBMUJFWSA-N 2 2 293.419 -0.047 20 0 CBADLP C[N@H+](C[C@H](O)C[NH2+]CCN1CCC(O)CC1)C1CC1 ZINC000321279185 352782159 /nfs/dbraw/zinc/78/21/59/352782159.db2.gz HBYCQNSAHNBBKD-CQSZACIVSA-N 2 2 271.405 -0.512 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH2+]CCN1CCC(O)CC1)C1CC1 ZINC000321279185 352782162 /nfs/dbraw/zinc/78/21/62/352782162.db2.gz HBYCQNSAHNBBKD-CQSZACIVSA-N 2 2 271.405 -0.512 20 0 CBADLP O[C@H](Cn1cccn1)C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000328602271 352784600 /nfs/dbraw/zinc/78/46/00/352784600.db2.gz GTPUIXOVROMIML-CABCVRRESA-N 2 2 294.399 -0.102 20 0 CBADLP O[C@H](Cn1cccn1)C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000328602271 352784603 /nfs/dbraw/zinc/78/46/03/352784603.db2.gz GTPUIXOVROMIML-CABCVRRESA-N 2 2 294.399 -0.102 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[NH2+][C@H](c3cccnc3)C2)C1 ZINC000328663668 352786480 /nfs/dbraw/zinc/78/64/80/352786480.db2.gz YCMNZKXMIGOOMA-KBPBESRZSA-N 2 2 290.367 -0.115 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N2CC[NH2+][C@H](c3cccnc3)C2)C1 ZINC000328663668 352786481 /nfs/dbraw/zinc/78/64/81/352786481.db2.gz YCMNZKXMIGOOMA-KBPBESRZSA-N 2 2 290.367 -0.115 20 0 CBADLP C[C@H]1OCC[C@H]1[N@H+](CCO)CC(=O)N1CC[NH+](C)CC1 ZINC000330134353 352806328 /nfs/dbraw/zinc/80/63/28/352806328.db2.gz RXDCEHXQBQVCDG-CHWSQXEVSA-N 2 2 285.388 -0.768 20 0 CBADLP C[C@H]1OCC[C@H]1[N@@H+](CCO)CC(=O)N1CC[NH+](C)CC1 ZINC000330134353 352806331 /nfs/dbraw/zinc/80/63/31/352806331.db2.gz RXDCEHXQBQVCDG-CHWSQXEVSA-N 2 2 285.388 -0.768 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NC1CC[NH+](C)CC1 ZINC000330476063 352831605 /nfs/dbraw/zinc/83/16/05/352831605.db2.gz GWNPJVYNACQHCZ-UHFFFAOYSA-N 2 2 284.404 -0.347 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NC1CC[NH+](C)CC1 ZINC000330476063 352831607 /nfs/dbraw/zinc/83/16/07/352831607.db2.gz GWNPJVYNACQHCZ-UHFFFAOYSA-N 2 2 284.404 -0.347 20 0 CBADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000573924561 334977751 /nfs/dbraw/zinc/97/77/51/334977751.db2.gz VPLZVIVGEIQLHK-QWHCGFSZSA-N 2 2 292.383 -0.030 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000330535500 352841999 /nfs/dbraw/zinc/84/19/99/352841999.db2.gz VVXXIMIYSLRSAL-LBPRGKRZSA-N 2 2 284.404 -0.395 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000330535500 352842002 /nfs/dbraw/zinc/84/20/02/352842002.db2.gz VVXXIMIYSLRSAL-LBPRGKRZSA-N 2 2 284.404 -0.395 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)NCc2[nH+]ccn2C)[N@H+](C)C1 ZINC000330544497 352843992 /nfs/dbraw/zinc/84/39/92/352843992.db2.gz OLFWVAPBXURBSW-UWVGGRQHSA-N 2 2 252.318 -0.245 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)NCc2[nH+]ccn2C)[N@@H+](C)C1 ZINC000330544497 352843995 /nfs/dbraw/zinc/84/39/95/352843995.db2.gz OLFWVAPBXURBSW-UWVGGRQHSA-N 2 2 252.318 -0.245 20 0 CBADLP OC[C@@H](O)C[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000331225526 352893702 /nfs/dbraw/zinc/89/37/02/352893702.db2.gz CGTPQHLPSVJPSF-AWEZNQCLSA-N 2 2 265.357 -0.011 20 0 CBADLP CC[N@H+](CC(=O)NC1CC[NH+](CC)CC1)[C@H]1CCNC1=O ZINC000331283398 352900834 /nfs/dbraw/zinc/90/08/34/352900834.db2.gz GSWHQKHJQPYVHL-ZDUSSCGKSA-N 2 2 296.415 -0.203 20 0 CBADLP CC[N@@H+](CC(=O)NC1CC[NH+](CC)CC1)[C@H]1CCNC1=O ZINC000331283398 352900838 /nfs/dbraw/zinc/90/08/38/352900838.db2.gz GSWHQKHJQPYVHL-ZDUSSCGKSA-N 2 2 296.415 -0.203 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC000332349145 352945565 /nfs/dbraw/zinc/94/55/65/352945565.db2.gz UMGWRRUNYFALCL-LBPRGKRZSA-N 2 2 282.388 -0.591 20 0 CBADLP C[C@@H]1CN(C(=O)C(=O)N2CCn3c[nH+]cc3C2)[C@@H](C)C[NH2+]1 ZINC000332592457 352968676 /nfs/dbraw/zinc/96/86/76/352968676.db2.gz GMTUPYQOHVETQP-MNOVXSKESA-N 2 2 291.355 -0.566 20 0 CBADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)CC[NH2+]1 ZINC000332601495 352969136 /nfs/dbraw/zinc/96/91/36/352969136.db2.gz NJTJEFWWMGBJKA-CHWSQXEVSA-N 2 2 294.399 -0.497 20 0 CBADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)CC[NH2+]1 ZINC000332601495 352969140 /nfs/dbraw/zinc/96/91/40/352969140.db2.gz NJTJEFWWMGBJKA-CHWSQXEVSA-N 2 2 294.399 -0.497 20 0 CBADLP CC[N@@H+]1CC[C@@H](NC(=O)NCC[NH+]2CCOCC2)C1 ZINC000334017897 353017054 /nfs/dbraw/zinc/01/70/54/353017054.db2.gz BVIFJLQYUZJCNL-GFCCVEGCSA-N 2 2 270.377 -0.288 20 0 CBADLP CC[N@H+]1CC[C@@H](NC(=O)NCC[NH+]2CCOCC2)C1 ZINC000334017897 353017056 /nfs/dbraw/zinc/01/70/56/353017056.db2.gz BVIFJLQYUZJCNL-GFCCVEGCSA-N 2 2 270.377 -0.288 20 0 CBADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000333585359 353004381 /nfs/dbraw/zinc/00/43/81/353004381.db2.gz OAOIZCAPOJKHCX-WOPDTQHZSA-N 2 2 270.377 -0.386 20 0 CBADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000333585359 353004385 /nfs/dbraw/zinc/00/43/85/353004385.db2.gz OAOIZCAPOJKHCX-WOPDTQHZSA-N 2 2 270.377 -0.386 20 0 CBADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CC(=O)NCC(=O)N1CCCC1 ZINC000333738358 353009194 /nfs/dbraw/zinc/00/91/94/353009194.db2.gz XFAPVYBESIGHPQ-XUJVJEKNSA-N 2 2 296.415 -0.299 20 0 CBADLP CN(CC[NH+]1CCOCC1)C[C@H](O)C[N@H+](C)C1CC1 ZINC000336815231 353058878 /nfs/dbraw/zinc/05/88/78/353058878.db2.gz ZHFVFECEUOEJEK-AWEZNQCLSA-N 2 2 271.405 -0.295 20 0 CBADLP CN(CC[NH+]1CCOCC1)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000336815231 353058881 /nfs/dbraw/zinc/05/88/81/353058881.db2.gz ZHFVFECEUOEJEK-AWEZNQCLSA-N 2 2 271.405 -0.295 20 0 CBADLP C[NH+](C[C@@H](O)C[N@H+](C)CCN1CCOCC1)C1CC1 ZINC000336815231 353058883 /nfs/dbraw/zinc/05/88/83/353058883.db2.gz ZHFVFECEUOEJEK-AWEZNQCLSA-N 2 2 271.405 -0.295 20 0 CBADLP C[NH+](C[C@@H](O)C[N@@H+](C)CCN1CCOCC1)C1CC1 ZINC000336815231 353058887 /nfs/dbraw/zinc/05/88/87/353058887.db2.gz ZHFVFECEUOEJEK-AWEZNQCLSA-N 2 2 271.405 -0.295 20 0 CBADLP C[NH+](CCN1CCOCC1)C[C@H](O)C[N@H+](C)C1CC1 ZINC000336815231 353058888 /nfs/dbraw/zinc/05/88/88/353058888.db2.gz ZHFVFECEUOEJEK-AWEZNQCLSA-N 2 2 271.405 -0.295 20 0 CBADLP C[NH+](CCN1CCOCC1)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000336815231 353058892 /nfs/dbraw/zinc/05/88/92/353058892.db2.gz ZHFVFECEUOEJEK-AWEZNQCLSA-N 2 2 271.405 -0.295 20 0 CBADLP CN(CC[NH+]1CCOCC1)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000336815232 353059312 /nfs/dbraw/zinc/05/93/12/353059312.db2.gz ZHFVFECEUOEJEK-CQSZACIVSA-N 2 2 271.405 -0.295 20 0 CBADLP CN(CC[NH+]1CCOCC1)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000336815232 353059315 /nfs/dbraw/zinc/05/93/15/353059315.db2.gz ZHFVFECEUOEJEK-CQSZACIVSA-N 2 2 271.405 -0.295 20 0 CBADLP C[NH+](C[C@H](O)C[N@H+](C)CCN1CCOCC1)C1CC1 ZINC000336815232 353059317 /nfs/dbraw/zinc/05/93/17/353059317.db2.gz ZHFVFECEUOEJEK-CQSZACIVSA-N 2 2 271.405 -0.295 20 0 CBADLP C[NH+](C[C@H](O)C[N@@H+](C)CCN1CCOCC1)C1CC1 ZINC000336815232 353059320 /nfs/dbraw/zinc/05/93/20/353059320.db2.gz ZHFVFECEUOEJEK-CQSZACIVSA-N 2 2 271.405 -0.295 20 0 CBADLP C[NH+](CCN1CCOCC1)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000336815232 353059322 /nfs/dbraw/zinc/05/93/22/353059322.db2.gz ZHFVFECEUOEJEK-CQSZACIVSA-N 2 2 271.405 -0.295 20 0 CBADLP C[NH+](CCN1CCOCC1)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000336815232 353059324 /nfs/dbraw/zinc/05/93/24/353059324.db2.gz ZHFVFECEUOEJEK-CQSZACIVSA-N 2 2 271.405 -0.295 20 0 CBADLP C(C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)N1CCOCC1 ZINC000336825067 353060144 /nfs/dbraw/zinc/06/01/44/353060144.db2.gz WYSUBOYLHUXBAQ-OAHLLOKOSA-N 2 2 283.416 -0.027 20 0 CBADLP C(C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)N1CCOCC1 ZINC000336825067 353060146 /nfs/dbraw/zinc/06/01/46/353060146.db2.gz WYSUBOYLHUXBAQ-OAHLLOKOSA-N 2 2 283.416 -0.027 20 0 CBADLP C[N@H+](C[C@@H](O)CN1CCN(Cc2[nH]cc[nH+]2)CC1)C1CC1 ZINC000336846548 353064173 /nfs/dbraw/zinc/06/41/73/353064173.db2.gz AWAAOMWAVNMSBW-CQSZACIVSA-N 2 2 293.415 -0.018 20 0 CBADLP C[N@@H+](C[C@@H](O)CN1CCN(Cc2[nH]cc[nH+]2)CC1)C1CC1 ZINC000336846548 353064177 /nfs/dbraw/zinc/06/41/77/353064177.db2.gz AWAAOMWAVNMSBW-CQSZACIVSA-N 2 2 293.415 -0.018 20 0 CBADLP C[C@@H]1CN(C[C@H](O)C[NH+]2CCOCC2)C[C@H](C)[N@H+]1C ZINC000336888505 353064746 /nfs/dbraw/zinc/06/47/46/353064746.db2.gz JVHBGIZTOVCOAI-HZSPNIEDSA-N 2 2 271.405 -0.296 20 0 CBADLP C[C@@H]1CN(C[C@H](O)C[NH+]2CCOCC2)C[C@H](C)[N@@H+]1C ZINC000336888505 353064750 /nfs/dbraw/zinc/06/47/50/353064750.db2.gz JVHBGIZTOVCOAI-HZSPNIEDSA-N 2 2 271.405 -0.296 20 0 CBADLP O=C1NCC[C@@H]1[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000336736596 353050622 /nfs/dbraw/zinc/05/06/22/353050622.db2.gz YTKUBUCHRNZFEX-NEPJUHHUSA-N 2 2 253.346 -0.471 20 0 CBADLP O=C1NCC[C@@H]1[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000336736596 353050626 /nfs/dbraw/zinc/05/06/26/353050626.db2.gz YTKUBUCHRNZFEX-NEPJUHHUSA-N 2 2 253.346 -0.471 20 0 CBADLP C[N@H+](C[C@H](O)C[NH+]1CCC(C(N)=O)CC1)C1CC1 ZINC000336793314 353053437 /nfs/dbraw/zinc/05/34/37/353053437.db2.gz WGEXALLVBABKSR-LBPRGKRZSA-N 2 2 255.362 -0.361 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH+]1CCC(C(N)=O)CC1)C1CC1 ZINC000336793314 353053439 /nfs/dbraw/zinc/05/34/39/353053439.db2.gz WGEXALLVBABKSR-LBPRGKRZSA-N 2 2 255.362 -0.361 20 0 CBADLP C[N@H+](CCO)C1CC[NH+](CCN2CCCC2=O)CC1 ZINC000336799860 353054897 /nfs/dbraw/zinc/05/48/97/353054897.db2.gz KGFXJEOOURXNCG-UHFFFAOYSA-N 2 2 269.389 -0.003 20 0 CBADLP C[N@@H+](CCO)C1CC[NH+](CCN2CCCC2=O)CC1 ZINC000336799860 353054900 /nfs/dbraw/zinc/05/49/00/353054900.db2.gz KGFXJEOOURXNCG-UHFFFAOYSA-N 2 2 269.389 -0.003 20 0 CBADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@](F)(CO)C2)CC1 ZINC000338628497 353110515 /nfs/dbraw/zinc/11/05/15/353110515.db2.gz VXMDNGISRDCZRL-AWEZNQCLSA-N 2 2 287.379 -0.007 20 0 CBADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@](F)(CO)C2)CC1 ZINC000338628497 353110516 /nfs/dbraw/zinc/11/05/16/353110516.db2.gz VXMDNGISRDCZRL-AWEZNQCLSA-N 2 2 287.379 -0.007 20 0 CBADLP C[C@@H](O)C[NH+]1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC000338226330 353090214 /nfs/dbraw/zinc/09/02/14/353090214.db2.gz SWNCFGOQVFLROM-CYBMUJFWSA-N 2 2 299.415 -0.378 20 0 CBADLP C[C@@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)CCO1 ZINC000338266718 353091806 /nfs/dbraw/zinc/09/18/06/353091806.db2.gz OPFPIUZFTZJDDN-GFCCVEGCSA-N 2 2 255.362 -0.129 20 0 CBADLP C[C@@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)CCO1 ZINC000338266718 353091807 /nfs/dbraw/zinc/09/18/07/353091807.db2.gz OPFPIUZFTZJDDN-GFCCVEGCSA-N 2 2 255.362 -0.129 20 0 CBADLP C[C@@H]1CO[C@H](CO)C[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338271578 353092206 /nfs/dbraw/zinc/09/22/06/353092206.db2.gz NNRJTYGXDHQZBM-OLZOCXBDSA-N 2 2 285.388 -0.768 20 0 CBADLP C[C@@H]1CO[C@H](CO)C[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338271578 353092209 /nfs/dbraw/zinc/09/22/09/353092209.db2.gz NNRJTYGXDHQZBM-OLZOCXBDSA-N 2 2 285.388 -0.768 20 0 CBADLP C[C@H](O)C[C@@H]1COCC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338293059 353093738 /nfs/dbraw/zinc/09/37/38/353093738.db2.gz FZPVDGIPRLPGDT-UONOGXRCSA-N 2 2 299.415 -0.378 20 0 CBADLP C[C@H](O)C[C@@H]1COCC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338293059 353093740 /nfs/dbraw/zinc/09/37/40/353093740.db2.gz FZPVDGIPRLPGDT-UONOGXRCSA-N 2 2 299.415 -0.378 20 0 CBADLP C[C@@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)CC[S@@]1=O ZINC000338322750 353095217 /nfs/dbraw/zinc/09/52/17/353095217.db2.gz YXPGNBGRHICDKW-BLVKFPJESA-N 2 2 287.429 -0.397 20 0 CBADLP C[C@@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)CC[S@@]1=O ZINC000338322750 353095220 /nfs/dbraw/zinc/09/52/20/353095220.db2.gz YXPGNBGRHICDKW-BLVKFPJESA-N 2 2 287.429 -0.397 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCc3nn[nH]c3C2)CC1 ZINC000338356423 353097921 /nfs/dbraw/zinc/09/79/21/353097921.db2.gz KIKANWVSCCYHTG-UHFFFAOYSA-N 2 2 278.360 -0.673 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCc3nn[nH]c3C2)CC1 ZINC000338356423 353097925 /nfs/dbraw/zinc/09/79/25/353097925.db2.gz KIKANWVSCCYHTG-UHFFFAOYSA-N 2 2 278.360 -0.673 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCc3n[nH]nc3C2)CC1 ZINC000338356423 353097929 /nfs/dbraw/zinc/09/79/29/353097929.db2.gz KIKANWVSCCYHTG-UHFFFAOYSA-N 2 2 278.360 -0.673 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCc3n[nH]nc3C2)CC1 ZINC000338356423 353097931 /nfs/dbraw/zinc/09/79/31/353097931.db2.gz KIKANWVSCCYHTG-UHFFFAOYSA-N 2 2 278.360 -0.673 20 0 CBADLP COC[C@@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000338367298 353098658 /nfs/dbraw/zinc/09/86/58/353098658.db2.gz ZBJSEMVWEKVTQU-KBPBESRZSA-N 2 2 299.415 -0.114 20 0 CBADLP COC[C@@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000338367298 353098660 /nfs/dbraw/zinc/09/86/60/353098660.db2.gz ZBJSEMVWEKVTQU-KBPBESRZSA-N 2 2 299.415 -0.114 20 0 CBADLP C[NH+](C)CC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000338388337 353100424 /nfs/dbraw/zinc/10/04/24/353100424.db2.gz UQXWASAIUXUUFF-GFCCVEGCSA-N 2 2 255.362 -0.129 20 0 CBADLP Cc1cnc(C[NH2+]CCC(=O)N2CC[NH+](C)CC2)n1C ZINC000341007160 353197438 /nfs/dbraw/zinc/19/74/38/353197438.db2.gz FLLCQLZIUQRODV-UHFFFAOYSA-N 2 2 279.388 -0.018 20 0 CBADLP C[C@@H]1C[C@@H](O)C[N@@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000340927819 353192917 /nfs/dbraw/zinc/19/29/17/353192917.db2.gz PZQZHJQYSJHMGC-CHWSQXEVSA-N 2 2 299.415 -0.332 20 0 CBADLP C[C@@H]1C[C@@H](O)C[N@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000340927819 353192919 /nfs/dbraw/zinc/19/29/19/353192919.db2.gz PZQZHJQYSJHMGC-CHWSQXEVSA-N 2 2 299.415 -0.332 20 0 CBADLP C[C@@H](CC(N)=O)[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000341889472 353218588 /nfs/dbraw/zinc/21/85/88/353218588.db2.gz OJRXFWIGEJFBJK-RYUDHWBXSA-N 2 2 284.404 -0.217 20 0 CBADLP C[C@@H](CC(N)=O)[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000341889472 353218591 /nfs/dbraw/zinc/21/85/91/353218591.db2.gz OJRXFWIGEJFBJK-RYUDHWBXSA-N 2 2 284.404 -0.217 20 0 CBADLP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH+]1CCOCC1 ZINC000341069217 353200545 /nfs/dbraw/zinc/20/05/45/353200545.db2.gz WCYTVDGEXNWCFB-NWDGAFQWSA-N 2 2 255.362 -0.368 20 0 CBADLP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH+]1CCOCC1 ZINC000341069217 353200547 /nfs/dbraw/zinc/20/05/47/353200547.db2.gz WCYTVDGEXNWCFB-NWDGAFQWSA-N 2 2 255.362 -0.368 20 0 CBADLP Cn1cncc1C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000341187517 353205063 /nfs/dbraw/zinc/20/50/63/353205063.db2.gz CSUUWUJKMHTBFQ-LBPRGKRZSA-N 2 2 265.361 -0.151 20 0 CBADLP Cn1cncc1C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000341187517 353205066 /nfs/dbraw/zinc/20/50/66/353205066.db2.gz CSUUWUJKMHTBFQ-LBPRGKRZSA-N 2 2 265.361 -0.151 20 0 CBADLP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000342721250 353229255 /nfs/dbraw/zinc/22/92/55/353229255.db2.gz YUGFYHZFPHMPSO-GHMZBOCLSA-N 2 2 287.360 -0.896 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000343136507 353256020 /nfs/dbraw/zinc/25/60/20/353256020.db2.gz ZXNRKUPTPDIJAI-KGLIPLIRSA-N 2 2 296.415 -0.787 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000343136507 353256021 /nfs/dbraw/zinc/25/60/21/353256021.db2.gz ZXNRKUPTPDIJAI-KGLIPLIRSA-N 2 2 296.415 -0.787 20 0 CBADLP C[C@@H](C(=O)N1CC[NH+](CCO)CC1)[NH+]1CCSCC1 ZINC000343177035 353257874 /nfs/dbraw/zinc/25/78/74/353257874.db2.gz QFKPWGLDMKELOB-LBPRGKRZSA-N 2 2 287.429 -0.440 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000343703547 353285249 /nfs/dbraw/zinc/28/52/49/353285249.db2.gz VYAUNPURMFXFTQ-KGLIPLIRSA-N 2 2 296.415 -0.787 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000343703547 353285251 /nfs/dbraw/zinc/28/52/51/353285251.db2.gz VYAUNPURMFXFTQ-KGLIPLIRSA-N 2 2 296.415 -0.787 20 0 CBADLP C[C@@H]1COCC[NH+]1CCNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000343703547 353285253 /nfs/dbraw/zinc/28/52/53/353285253.db2.gz VYAUNPURMFXFTQ-KGLIPLIRSA-N 2 2 296.415 -0.787 20 0 CBADLP C[C@@H]1COCC[NH+]1CCNC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000343703547 353285254 /nfs/dbraw/zinc/28/52/54/353285254.db2.gz VYAUNPURMFXFTQ-KGLIPLIRSA-N 2 2 296.415 -0.787 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000343703548 353285376 /nfs/dbraw/zinc/28/53/76/353285376.db2.gz VYAUNPURMFXFTQ-UONOGXRCSA-N 2 2 296.415 -0.787 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000343703548 353285378 /nfs/dbraw/zinc/28/53/78/353285378.db2.gz VYAUNPURMFXFTQ-UONOGXRCSA-N 2 2 296.415 -0.787 20 0 CBADLP C[C@H]1COCC[NH+]1CCNC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000343703548 353285379 /nfs/dbraw/zinc/28/53/79/353285379.db2.gz VYAUNPURMFXFTQ-UONOGXRCSA-N 2 2 296.415 -0.787 20 0 CBADLP C[C@H]1COCC[NH+]1CCNC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000343703548 353285381 /nfs/dbraw/zinc/28/53/81/353285381.db2.gz VYAUNPURMFXFTQ-UONOGXRCSA-N 2 2 296.415 -0.787 20 0 CBADLP C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CC[NH2+]CC2(F)F)C1 ZINC000343894599 353297235 /nfs/dbraw/zinc/29/72/35/353297235.db2.gz VASXYVHGLLGIKL-NXEZZACHSA-N 2 2 277.315 -0.322 20 0 CBADLP C[N@H+]1CCO[C@H](CNC(=O)[C@H]2CC[NH2+]CC2(F)F)C1 ZINC000343894599 353297237 /nfs/dbraw/zinc/29/72/37/353297237.db2.gz VASXYVHGLLGIKL-NXEZZACHSA-N 2 2 277.315 -0.322 20 0 CBADLP CC(C)(C(=O)NCCC[NH+]1CCOCC1)[NH+]1CCOCC1 ZINC000345606757 353340594 /nfs/dbraw/zinc/34/05/94/353340594.db2.gz BYKJQYXTTWAUIY-UHFFFAOYSA-N 2 2 299.415 -0.064 20 0 CBADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@@H]([NH3+])CC(F)F)CC1 ZINC000345693001 353343926 /nfs/dbraw/zinc/34/39/26/353343926.db2.gz NQYPQTKCXCMYDE-QMMMGPOBSA-N 2 2 292.330 -0.623 20 0 CBADLP COC[C@@H](O)C[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000346625275 353386529 /nfs/dbraw/zinc/38/65/29/353386529.db2.gz KIVUFQFKQZYILF-NSHDSACASA-N 2 2 254.334 -0.465 20 0 CBADLP CC(=O)N1CCN(C(=O)C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000261598918 137694683 /nfs/dbraw/zinc/69/46/83/137694683.db2.gz BANGIDJPIOAZBO-KGLIPLIRSA-N 2 2 294.399 -0.782 20 0 CBADLP CC(=O)N1CCN(C(=O)C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000261598918 137694684 /nfs/dbraw/zinc/69/46/84/137694684.db2.gz BANGIDJPIOAZBO-KGLIPLIRSA-N 2 2 294.399 -0.782 20 0 CBADLP C[C@H]([C@H](C)NC(=O)CCOC1C[NH2+]C1)[NH+]1CCOCC1 ZINC000349006187 353444827 /nfs/dbraw/zinc/44/48/27/353444827.db2.gz TXWWEIBPBPZPFW-NWDGAFQWSA-N 2 2 285.388 -0.410 20 0 CBADLP O=C(CCOC1C[NH2+]C1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000349023141 353444926 /nfs/dbraw/zinc/44/49/26/353444926.db2.gz BDEOCDMAIKLGLL-GFCCVEGCSA-N 2 2 283.372 -0.702 20 0 CBADLP C[N@H+](C[C@H](O)C[NH2+][C@H](CO)[C@H]1CCCO1)C1CC1 ZINC000352355397 353481839 /nfs/dbraw/zinc/48/18/39/353481839.db2.gz CHIJTGCZTGEWCT-JHJVBQTASA-N 2 2 258.362 -0.429 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH2+][C@H](CO)[C@H]1CCCO1)C1CC1 ZINC000352355397 353481842 /nfs/dbraw/zinc/48/18/42/353481842.db2.gz CHIJTGCZTGEWCT-JHJVBQTASA-N 2 2 258.362 -0.429 20 0 CBADLP CN(CC1CC1)C(=O)C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000352489245 353487577 /nfs/dbraw/zinc/48/75/77/353487577.db2.gz ZAFOFDCCSGXPCY-AWEZNQCLSA-N 2 2 280.416 -0.166 20 0 CBADLP Cc1[nH+]ccn1CCNC(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000352573651 353493494 /nfs/dbraw/zinc/49/34/94/353493494.db2.gz WZLAANLEBBIIFJ-LBPRGKRZSA-N 2 2 295.387 -0.100 20 0 CBADLP C[NH+]1CCC(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)CC1 ZINC000352196975 353479031 /nfs/dbraw/zinc/47/90/31/353479031.db2.gz ITISMTRIFOQQBG-OLZOCXBDSA-N 2 2 267.373 -0.130 20 0 CBADLP C[NH+]1CCC(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)CC1 ZINC000352196975 353479034 /nfs/dbraw/zinc/47/90/34/353479034.db2.gz ITISMTRIFOQQBG-OLZOCXBDSA-N 2 2 267.373 -0.130 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000352778991 353505361 /nfs/dbraw/zinc/50/53/61/353505361.db2.gz MVVFGMZHAGXJSQ-KGLIPLIRSA-N 2 2 298.431 -0.541 20 0 CBADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N[C@@H](C)C[NH+](C)C ZINC000352995689 353515740 /nfs/dbraw/zinc/51/57/40/353515740.db2.gz CIVCGXQFHWRIDL-QWHCGFSZSA-N 2 2 285.436 -0.128 20 0 CBADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCS(=O)(=O)N(C)C)C1 ZINC000353096054 353521064 /nfs/dbraw/zinc/52/10/64/353521064.db2.gz QPSBWYBEOZSMMW-WDEREUQCSA-N 2 2 263.407 -0.192 20 0 CBADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCS(=O)(=O)N(C)C)C1 ZINC000353096054 353521069 /nfs/dbraw/zinc/52/10/69/353521069.db2.gz QPSBWYBEOZSMMW-WDEREUQCSA-N 2 2 263.407 -0.192 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH+]2CCOC[C@H]2C)C1 ZINC000353119136 353522102 /nfs/dbraw/zinc/52/21/02/353522102.db2.gz YWDXAEXTHABLHJ-OLZOCXBDSA-N 2 2 285.388 -0.456 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)NCC[NH+]2CCOC[C@H]2C)C1 ZINC000353119136 353522104 /nfs/dbraw/zinc/52/21/04/353522104.db2.gz YWDXAEXTHABLHJ-OLZOCXBDSA-N 2 2 285.388 -0.456 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)NCC[N@@H+]2CCOC[C@H]2C)C1 ZINC000353119136 353522106 /nfs/dbraw/zinc/52/21/06/353522106.db2.gz YWDXAEXTHABLHJ-OLZOCXBDSA-N 2 2 285.388 -0.456 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)NCC[N@H+]2CCOC[C@H]2C)C1 ZINC000353119136 353522108 /nfs/dbraw/zinc/52/21/08/353522108.db2.gz YWDXAEXTHABLHJ-OLZOCXBDSA-N 2 2 285.388 -0.456 20 0 CBADLP COCC[N@@H+]1CC[C@H]([NH2+]CCCn2cc(CO)nn2)C1 ZINC000353222925 353528815 /nfs/dbraw/zinc/52/88/15/353528815.db2.gz RQGDHNPNFAECOT-LBPRGKRZSA-N 2 2 283.376 -0.529 20 0 CBADLP COCC[N@H+]1CC[C@H]([NH2+]CCCn2cc(CO)nn2)C1 ZINC000353222925 353528818 /nfs/dbraw/zinc/52/88/18/353528818.db2.gz RQGDHNPNFAECOT-LBPRGKRZSA-N 2 2 283.376 -0.529 20 0 CBADLP COC[C@H]([NH3+])C(=O)NCCCNc1cccc[nH+]1 ZINC000354067677 353541858 /nfs/dbraw/zinc/54/18/58/353541858.db2.gz FDKVAUNEUUODCU-JTQLQIEISA-N 2 2 252.318 -0.027 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)[C@H]2CCN(C)C2=O)CC1 ZINC000352666467 353500091 /nfs/dbraw/zinc/50/00/91/353500091.db2.gz HJZGSVSRANGRSO-OLZOCXBDSA-N 2 2 296.415 -0.299 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)[C@H]2CCN(C)C2=O)CC1 ZINC000352666467 353500095 /nfs/dbraw/zinc/50/00/95/353500095.db2.gz HJZGSVSRANGRSO-OLZOCXBDSA-N 2 2 296.415 -0.299 20 0 CBADLP CC[NH+]1CCC(NC(=O)C[N@H+](C)[C@@H]2CCN(C)C2=O)CC1 ZINC000352677821 353500530 /nfs/dbraw/zinc/50/05/30/353500530.db2.gz WRSMJIREYXWAEG-CYBMUJFWSA-N 2 2 296.415 -0.251 20 0 CBADLP CC[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@H]2CCN(C)C2=O)CC1 ZINC000352677821 353500531 /nfs/dbraw/zinc/50/05/31/353500531.db2.gz WRSMJIREYXWAEG-CYBMUJFWSA-N 2 2 296.415 -0.251 20 0 CBADLP CC[N@H+]1CCN(C[C@H](O)C[NH+]2CCOCC2)[C@@H](C)C1 ZINC000352690869 353501999 /nfs/dbraw/zinc/50/19/99/353501999.db2.gz FWQFGCMRZDUBNY-UONOGXRCSA-N 2 2 271.405 -0.295 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000354670338 353576736 /nfs/dbraw/zinc/57/67/36/353576736.db2.gz ISIVOKFIFUTLLK-NWDGAFQWSA-N 2 2 293.371 -0.354 20 0 CBADLP C[C@H](C[NH3+])C(=O)N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC000357249291 353601456 /nfs/dbraw/zinc/60/14/56/353601456.db2.gz RQEWEYPJSRSPNE-CHWSQXEVSA-N 2 2 296.415 -0.264 20 0 CBADLP CC[NH+]1CCC([NH2+][C@H](C)C(=O)NC(=O)NC)CC1 ZINC000354607065 353571951 /nfs/dbraw/zinc/57/19/51/353571951.db2.gz XAGMIULZDMEBEB-SECBINFHSA-N 2 2 256.350 -0.096 20 0 CBADLP COCC[NH+]1CCC([NH2+]C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC000358249495 353633711 /nfs/dbraw/zinc/63/37/11/353633711.db2.gz KFROIRBJNYCUAZ-CQSZACIVSA-N 3 2 271.405 -0.247 20 0 CBADLP COCC[NH+]1CCC([NH2+]C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC000358249495 353633713 /nfs/dbraw/zinc/63/37/13/353633713.db2.gz KFROIRBJNYCUAZ-CQSZACIVSA-N 3 2 271.405 -0.247 20 0 CBADLP CCOCCOC[C@H](O)C[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000357878093 353611692 /nfs/dbraw/zinc/61/16/92/353611692.db2.gz OFKACKMPDPEAOS-YNEHKIRRSA-N 2 2 260.378 -0.060 20 0 CBADLP CCOCCOC[C@H](O)C[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000357878093 353611694 /nfs/dbraw/zinc/61/16/94/353611694.db2.gz OFKACKMPDPEAOS-YNEHKIRRSA-N 2 2 260.378 -0.060 20 0 CBADLP CC(C)Cn1cc[nH+]c1CNC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000357899999 353613139 /nfs/dbraw/zinc/61/31/39/353613139.db2.gz AIOSWUJDIKTHIU-QWRGUYRKSA-N 2 2 266.345 -0.122 20 0 CBADLP C[NH+](C)CC(=O)N1C[C@H]2CCCN(C(=O)C[NH+](C)C)[C@@H]2C1 ZINC000358001665 353619301 /nfs/dbraw/zinc/61/93/01/353619301.db2.gz SFQDYPPOKDDDND-CHWSQXEVSA-N 2 2 296.415 -0.441 20 0 CBADLP C[NH+](C)CC(=O)N1C[C@H]2CCCN(C(=O)C[NH+](C)C)[C@H]2C1 ZINC000358001673 353619785 /nfs/dbraw/zinc/61/97/85/353619785.db2.gz SFQDYPPOKDDDND-OLZOCXBDSA-N 2 2 296.415 -0.441 20 0 CBADLP COc1cc[nH+]c(N2CC[NH+]([C@@H]3COC[C@H]3O)CC2)c1 ZINC000361289527 353660684 /nfs/dbraw/zinc/66/06/84/353660684.db2.gz POMIKRDJOBNPEP-CHWSQXEVSA-N 2 2 279.340 -0.028 20 0 CBADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000362677001 353667399 /nfs/dbraw/zinc/66/73/99/353667399.db2.gz WPOMUVAIULHBJR-KGLIPLIRSA-N 3 2 280.416 -0.118 20 0 CBADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000362677001 353667403 /nfs/dbraw/zinc/66/74/03/353667403.db2.gz WPOMUVAIULHBJR-KGLIPLIRSA-N 3 2 280.416 -0.118 20 0 CBADLP CS(=O)(=O)NCC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000363118204 353668982 /nfs/dbraw/zinc/66/89/82/353668982.db2.gz UIQCIBBQGPIDML-UPJWGTAASA-N 2 2 287.429 -0.048 20 0 CBADLP CS(=O)(=O)NCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000363118204 353668985 /nfs/dbraw/zinc/66/89/85/353668985.db2.gz UIQCIBBQGPIDML-UPJWGTAASA-N 2 2 287.429 -0.048 20 0 CBADLP CS(=O)(=O)NCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363118204 353668989 /nfs/dbraw/zinc/66/89/89/353668989.db2.gz UIQCIBBQGPIDML-UPJWGTAASA-N 2 2 287.429 -0.048 20 0 CBADLP CS(=O)(=O)NCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363118204 353668991 /nfs/dbraw/zinc/66/89/91/353668991.db2.gz UIQCIBBQGPIDML-UPJWGTAASA-N 2 2 287.429 -0.048 20 0 CBADLP C[C@H](C[NH3+])C(=O)N1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000367507232 353682236 /nfs/dbraw/zinc/68/22/36/353682236.db2.gz KATVKIPWXGGVMJ-VXGBXAGGSA-N 2 2 282.388 -0.606 20 0 CBADLP Cn1cc(C[N@@H+]2CC[NH+]3CCC2CC3)c(=O)n(C)c1=O ZINC000367673845 353683036 /nfs/dbraw/zinc/68/30/36/353683036.db2.gz YJCMXQLDTZNZEJ-UHFFFAOYSA-N 2 2 278.356 -0.636 20 0 CBADLP Cn1cc(C[N@H+]2CC[NH+]3CCC2CC3)c(=O)n(C)c1=O ZINC000367673845 353683038 /nfs/dbraw/zinc/68/30/38/353683038.db2.gz YJCMXQLDTZNZEJ-UHFFFAOYSA-N 2 2 278.356 -0.636 20 0 CBADLP C[C@H](CC[NH+]1CCOCC1)NC(=O)[C@@H]1CSC[NH2+]1 ZINC000360175300 353656243 /nfs/dbraw/zinc/65/62/43/353656243.db2.gz JFZNPKHWJZKPAG-MNOVXSKESA-N 2 2 273.402 -0.124 20 0 CBADLP COC[C@@H](O)C[NH+]1CCC(N2CC[N@H+](C)CC2=O)CC1 ZINC000371638209 353705064 /nfs/dbraw/zinc/70/50/64/353705064.db2.gz PIJQOTJPBZRVIT-ZDUSSCGKSA-N 2 2 285.388 -0.768 20 0 CBADLP COC[C@@H](O)C[NH+]1CCC(N2CC[N@@H+](C)CC2=O)CC1 ZINC000371638209 353705068 /nfs/dbraw/zinc/70/50/68/353705068.db2.gz PIJQOTJPBZRVIT-ZDUSSCGKSA-N 2 2 285.388 -0.768 20 0 CBADLP C[C@@H](C(N)=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372370414 353715980 /nfs/dbraw/zinc/71/59/80/353715980.db2.gz RHZAOOBIHCVSNX-AAEUAGOBSA-N 2 2 268.405 -0.040 20 0 CBADLP C[C@@H](C(N)=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372370414 353715982 /nfs/dbraw/zinc/71/59/82/353715982.db2.gz RHZAOOBIHCVSNX-AAEUAGOBSA-N 2 2 268.405 -0.040 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000372993545 353725062 /nfs/dbraw/zinc/72/50/62/353725062.db2.gz SSCNRQYSLAXRPV-NXEZZACHSA-N 2 2 256.350 -0.014 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000372993545 353725063 /nfs/dbraw/zinc/72/50/63/353725063.db2.gz SSCNRQYSLAXRPV-NXEZZACHSA-N 2 2 256.350 -0.014 20 0 CBADLP C[N@@H+]1CCN(C2CC[NH+](CC(=O)N3CCC3)CC2)C(=O)C1 ZINC000374763693 353749051 /nfs/dbraw/zinc/74/90/51/353749051.db2.gz RYHCONAXQNGWHO-UHFFFAOYSA-N 2 2 294.399 -0.543 20 0 CBADLP C[N@H+]1CCN(C2CC[NH+](CC(=O)N3CCC3)CC2)C(=O)C1 ZINC000374763693 353749055 /nfs/dbraw/zinc/74/90/55/353749055.db2.gz RYHCONAXQNGWHO-UHFFFAOYSA-N 2 2 294.399 -0.543 20 0 CBADLP C[N@@H+]1CC[C@@H]2CCN(C[C@H](O)C[NH+]3CCOCC3)C[C@@H]21 ZINC000375033667 353752479 /nfs/dbraw/zinc/75/24/79/353752479.db2.gz ATTPWAWNWBMFAT-KFWWJZLASA-N 2 2 283.416 -0.295 20 0 CBADLP C[N@H+]1CC[C@@H]2CCN(C[C@H](O)C[NH+]3CCOCC3)C[C@@H]21 ZINC000375033667 353752481 /nfs/dbraw/zinc/75/24/81/353752481.db2.gz ATTPWAWNWBMFAT-KFWWJZLASA-N 2 2 283.416 -0.295 20 0 CBADLP C[N@@H+]1CC[C@@H]2CCN(C[C@@H](O)C[NH+]3CCOCC3)C[C@@H]21 ZINC000375033660 353752849 /nfs/dbraw/zinc/75/28/49/353752849.db2.gz ATTPWAWNWBMFAT-ILXRZTDVSA-N 2 2 283.416 -0.295 20 0 CBADLP C[N@H+]1CC[C@@H]2CCN(C[C@@H](O)C[NH+]3CCOCC3)C[C@@H]21 ZINC000375033660 353752854 /nfs/dbraw/zinc/75/28/54/353752854.db2.gz ATTPWAWNWBMFAT-ILXRZTDVSA-N 2 2 283.416 -0.295 20 0 CBADLP CC[C@H](CO)[NH+]1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000375421459 353760445 /nfs/dbraw/zinc/76/04/45/353760445.db2.gz HSRABRYRJPQCIY-GHMZBOCLSA-N 2 2 291.342 -0.101 20 0 CBADLP CNC(=O)NC(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375756942 353766393 /nfs/dbraw/zinc/76/63/93/353766393.db2.gz KKRCUYDPXBOUAJ-ZACCUICWSA-N 2 2 268.361 -0.001 20 0 CBADLP CNC(=O)NC(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375756942 353766396 /nfs/dbraw/zinc/76/63/96/353766396.db2.gz KKRCUYDPXBOUAJ-ZACCUICWSA-N 2 2 268.361 -0.001 20 0 CBADLP CNC(=O)NC(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375756942 353766399 /nfs/dbraw/zinc/76/63/99/353766399.db2.gz KKRCUYDPXBOUAJ-ZACCUICWSA-N 2 2 268.361 -0.001 20 0 CBADLP CNC(=O)NC(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375756942 353766402 /nfs/dbraw/zinc/76/64/02/353766402.db2.gz KKRCUYDPXBOUAJ-ZACCUICWSA-N 2 2 268.361 -0.001 20 0 CBADLP CC1(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)COC1 ZINC000375751556 353766580 /nfs/dbraw/zinc/76/65/80/353766580.db2.gz UCMMFHPDSBQEBZ-CYBMUJFWSA-N 2 2 297.399 -0.454 20 0 CBADLP CCn1cc[nH+]c1CNS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000385222761 353786503 /nfs/dbraw/zinc/78/65/03/353786503.db2.gz LSMUIIUQQCCBSN-JTQLQIEISA-N 2 2 288.373 -0.689 20 0 CBADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+]([C@H]2CC(=O)N(C)C2=O)C1 ZINC000378288346 353780482 /nfs/dbraw/zinc/78/04/82/353780482.db2.gz XNGFSURSCRXWDF-ZJUUUORDSA-N 2 2 262.313 -0.033 20 0 CBADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+]([C@H]2CC(=O)N(C)C2=O)C1 ZINC000378288346 353780484 /nfs/dbraw/zinc/78/04/84/353780484.db2.gz XNGFSURSCRXWDF-ZJUUUORDSA-N 2 2 262.313 -0.033 20 0 CBADLP CNC(=O)NC(=O)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000374426127 353745565 /nfs/dbraw/zinc/74/55/65/353745565.db2.gz COCXBZJHSANLCZ-GRYCIOLGSA-N 2 2 298.387 -0.375 20 0 CBADLP CNC(=O)NC(=O)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000374426127 353745568 /nfs/dbraw/zinc/74/55/68/353745568.db2.gz COCXBZJHSANLCZ-GRYCIOLGSA-N 2 2 298.387 -0.375 20 0 CBADLP CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000405541982 353807724 /nfs/dbraw/zinc/80/77/24/353807724.db2.gz SSXSAZRKCZQARF-NXEZZACHSA-N 2 2 272.349 -0.872 20 0 CBADLP CCNC(=O)NC(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000405541982 353807729 /nfs/dbraw/zinc/80/77/29/353807729.db2.gz SSXSAZRKCZQARF-NXEZZACHSA-N 2 2 272.349 -0.872 20 0 CBADLP Cn1cc[nH+]c1CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000408025913 353827833 /nfs/dbraw/zinc/82/78/33/353827833.db2.gz FBQVMPOXYYRIFE-NSHDSACASA-N 2 2 263.345 -0.574 20 0 CBADLP Cn1cc[nH+]c1CNC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000408025913 353827835 /nfs/dbraw/zinc/82/78/35/353827835.db2.gz FBQVMPOXYYRIFE-NSHDSACASA-N 2 2 263.345 -0.574 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)N2CC[NH+](C[C@H](C)O)C[C@@H]2C)[N@H+](C)C1 ZINC000408056051 353839435 /nfs/dbraw/zinc/83/94/35/353839435.db2.gz CDJLJPDDZYZTJX-XUXIUFHCSA-N 2 2 299.415 -0.381 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)N2CC[NH+](C[C@H](C)O)C[C@@H]2C)[N@@H+](C)C1 ZINC000408056051 353839439 /nfs/dbraw/zinc/83/94/39/353839439.db2.gz CDJLJPDDZYZTJX-XUXIUFHCSA-N 2 2 299.415 -0.381 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)[NH+](C)C1 ZINC000408056051 353839442 /nfs/dbraw/zinc/83/94/42/353839442.db2.gz CDJLJPDDZYZTJX-XUXIUFHCSA-N 2 2 299.415 -0.381 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H](O)C(C)(C)C2)CC1 ZINC000387863423 353788691 /nfs/dbraw/zinc/78/86/91/353788691.db2.gz LZPBQXWZSLJBTE-LLVKDONJSA-N 2 2 255.362 -0.537 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2C[C@@H](O)C(C)(C)C2)CC1 ZINC000387863423 353788693 /nfs/dbraw/zinc/78/86/93/353788693.db2.gz LZPBQXWZSLJBTE-LLVKDONJSA-N 2 2 255.362 -0.537 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCSC[C@H]1CO ZINC000388078612 353788757 /nfs/dbraw/zinc/78/87/57/353788757.db2.gz RPKSHDJMKYXXMI-VXGBXAGGSA-N 2 2 278.418 -0.665 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCSC[C@H]1CO ZINC000388078612 353788759 /nfs/dbraw/zinc/78/87/59/353788759.db2.gz RPKSHDJMKYXXMI-VXGBXAGGSA-N 2 2 278.418 -0.665 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCSC[C@H]1CO ZINC000388078612 353788761 /nfs/dbraw/zinc/78/87/61/353788761.db2.gz RPKSHDJMKYXXMI-VXGBXAGGSA-N 2 2 278.418 -0.665 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCSC[C@H]1CO ZINC000388078612 353788764 /nfs/dbraw/zinc/78/87/64/353788764.db2.gz RPKSHDJMKYXXMI-VXGBXAGGSA-N 2 2 278.418 -0.665 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H](O)C(C)(C)C1 ZINC000387842033 353788911 /nfs/dbraw/zinc/78/89/11/353788911.db2.gz GHRPWXGZBCQGEY-VXGBXAGGSA-N 2 2 260.378 -0.372 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H](O)C(C)(C)C1 ZINC000387842033 353788914 /nfs/dbraw/zinc/78/89/14/353788914.db2.gz GHRPWXGZBCQGEY-VXGBXAGGSA-N 2 2 260.378 -0.372 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000387842033 353788916 /nfs/dbraw/zinc/78/89/16/353788916.db2.gz GHRPWXGZBCQGEY-VXGBXAGGSA-N 2 2 260.378 -0.372 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H](O)C(C)(C)C1 ZINC000387842033 353788918 /nfs/dbraw/zinc/78/89/18/353788918.db2.gz GHRPWXGZBCQGEY-VXGBXAGGSA-N 2 2 260.378 -0.372 20 0 CBADLP Cn1cncc1C[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000388426576 353789958 /nfs/dbraw/zinc/78/99/58/353789958.db2.gz KVLJBZHIPZATBS-UHFFFAOYSA-N 2 2 251.334 -0.716 20 0 CBADLP C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000408422982 353914826 /nfs/dbraw/zinc/91/48/26/353914826.db2.gz VMOFKTZUFDGQCX-RYUDHWBXSA-N 2 2 278.356 -0.108 20 0 CBADLP C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000408422982 353914827 /nfs/dbraw/zinc/91/48/27/353914827.db2.gz VMOFKTZUFDGQCX-RYUDHWBXSA-N 2 2 278.356 -0.108 20 0 CBADLP C[C@@H](O)C[NH+]1CCN(C(=O)[C@H](C)N2CC[NH+](C)CC2)CC1 ZINC000408439455 353918681 /nfs/dbraw/zinc/91/86/81/353918681.db2.gz RJSXQCJDJRYLRP-KGLIPLIRSA-N 2 2 298.431 -0.853 20 0 CBADLP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CC[NH+](C)CC2)C1 ZINC000411027974 353939746 /nfs/dbraw/zinc/93/97/46/353939746.db2.gz OYRDFLOXSNPPAU-CYBMUJFWSA-N 2 2 296.415 -0.299 20 0 CBADLP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CC[NH+](C)CC2)C1 ZINC000411027974 353939748 /nfs/dbraw/zinc/93/97/48/353939748.db2.gz OYRDFLOXSNPPAU-CYBMUJFWSA-N 2 2 296.415 -0.299 20 0 CBADLP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000416285404 353967127 /nfs/dbraw/zinc/96/71/27/353967127.db2.gz CBVBCXHPQFUZBN-UPJWGTAASA-N 2 2 285.388 -0.770 20 0 CBADLP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000416285404 353967129 /nfs/dbraw/zinc/96/71/29/353967129.db2.gz CBVBCXHPQFUZBN-UPJWGTAASA-N 2 2 285.388 -0.770 20 0 CBADLP C[C@@H]1C[NH+](CCO)[C@H](C)CN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000416285404 353967133 /nfs/dbraw/zinc/96/71/33/353967133.db2.gz CBVBCXHPQFUZBN-UPJWGTAASA-N 2 2 285.388 -0.770 20 0 CBADLP C[C@@H]1C[NH+](CCO)[C@H](C)CN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000416285404 353967137 /nfs/dbraw/zinc/96/71/37/353967137.db2.gz CBVBCXHPQFUZBN-UPJWGTAASA-N 2 2 285.388 -0.770 20 0 CBADLP C[C@@H]1CN(C(=O)NCC[NH+]2CCOCC2)CC[NH2+]1 ZINC000416434579 353969852 /nfs/dbraw/zinc/96/98/52/353969852.db2.gz VHSYSVHNZNSULC-LLVKDONJSA-N 2 2 256.350 -0.678 20 0 CBADLP CC(C)[C@@H]([NH3+])CNC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000417018879 353974595 /nfs/dbraw/zinc/97/45/95/353974595.db2.gz FXENIHKEYROUNQ-RYUDHWBXSA-N 2 2 272.393 -0.010 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000417021552 353974655 /nfs/dbraw/zinc/97/46/55/353974655.db2.gz IOKTUJJYZUTEKC-NWDGAFQWSA-N 2 2 270.377 -0.290 20 0 CBADLP C[C@H](C[NH3+])CNC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000417409808 353976759 /nfs/dbraw/zinc/97/67/59/353976759.db2.gz AEPZFCUPABYSPC-LLVKDONJSA-N 2 2 272.393 -0.009 20 0 CBADLP C[C@H](C[NH3+])CNC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000417409808 353976763 /nfs/dbraw/zinc/97/67/63/353976763.db2.gz AEPZFCUPABYSPC-LLVKDONJSA-N 2 2 272.393 -0.009 20 0 CBADLP C[NH2+][C@@H]1CCN(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)C1 ZINC000417502842 353978321 /nfs/dbraw/zinc/97/83/21/353978321.db2.gz CAMBBQFSWJVBTM-NWDGAFQWSA-N 2 2 270.377 -0.290 20 0 CBADLP C[NH2+][C@@H]1CCN(C(=O)NCC[N@H+]2CCOC[C@@H]2C)C1 ZINC000417502842 353978325 /nfs/dbraw/zinc/97/83/25/353978325.db2.gz CAMBBQFSWJVBTM-NWDGAFQWSA-N 2 2 270.377 -0.290 20 0 CBADLP C[NH2+][C@@H]1CCN(C(=O)NCC[N@@H+]2CCOC[C@H]2C)C1 ZINC000417502845 353978763 /nfs/dbraw/zinc/97/87/63/353978763.db2.gz CAMBBQFSWJVBTM-VXGBXAGGSA-N 2 2 270.377 -0.290 20 0 CBADLP C[NH2+][C@@H]1CCN(C(=O)NCC[N@H+]2CCOC[C@H]2C)C1 ZINC000417502845 353978766 /nfs/dbraw/zinc/97/87/66/353978766.db2.gz CAMBBQFSWJVBTM-VXGBXAGGSA-N 2 2 270.377 -0.290 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NC(C)(C)C[NH3+] ZINC000417503186 353978882 /nfs/dbraw/zinc/97/88/82/353978882.db2.gz CJQSKMWPUNUPLI-SNVBAGLBSA-N 2 2 258.366 -0.256 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NC(C)(C)C[NH3+] ZINC000417503186 353978885 /nfs/dbraw/zinc/97/88/85/353978885.db2.gz CJQSKMWPUNUPLI-SNVBAGLBSA-N 2 2 258.366 -0.256 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000417503233 353978966 /nfs/dbraw/zinc/97/89/66/353978966.db2.gz CTIAXBZGXZXBDY-CMPLNLGQSA-N 2 2 270.377 -0.256 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000417503233 353978968 /nfs/dbraw/zinc/97/89/68/353978968.db2.gz CTIAXBZGXZXBDY-CMPLNLGQSA-N 2 2 270.377 -0.256 20 0 CBADLP C[C@@H](NC(=O)N1CC[NH2+]CC1)[C@H](C)[NH+]1CCOCC1 ZINC000417527900 353979069 /nfs/dbraw/zinc/97/90/69/353979069.db2.gz VVJSFCFJDOXYTJ-NEPJUHHUSA-N 2 2 270.377 -0.290 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N1CCC[NH2+]CC1 ZINC000417504081 353979074 /nfs/dbraw/zinc/97/90/74/353979074.db2.gz FHHNBMGZVQZSAX-LBPRGKRZSA-N 2 2 270.377 -0.288 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)N1CCC[NH2+]CC1 ZINC000417504081 353979077 /nfs/dbraw/zinc/97/90/77/353979077.db2.gz FHHNBMGZVQZSAX-LBPRGKRZSA-N 2 2 270.377 -0.288 20 0 CBADLP C[C@@H](C[NH3+])CNC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000418117002 353987183 /nfs/dbraw/zinc/98/71/83/353987183.db2.gz RIOGTWMMAHIJNB-NSHDSACASA-N 2 2 270.377 -0.255 20 0 CBADLP CC[C@@H]([NH3+])CNC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000418110518 353987769 /nfs/dbraw/zinc/98/77/69/353987769.db2.gz FFTAJQPAIDAKCE-LLVKDONJSA-N 2 2 270.377 -0.112 20 0 CBADLP CC(C)(C[NH3+])NC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000418110362 353987800 /nfs/dbraw/zinc/98/78/00/353987800.db2.gz DXUYFZXMPJXLHT-UHFFFAOYSA-N 2 2 270.377 -0.112 20 0 CBADLP CC[NH2+]CCNC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000418318261 353992906 /nfs/dbraw/zinc/99/29/06/353992906.db2.gz OTHOYSPDBBDGMY-TXEJJXNPSA-N 2 2 270.377 -0.242 20 0 CBADLP CC[NH2+]CCNC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000418318261 353992909 /nfs/dbraw/zinc/99/29/09/353992909.db2.gz OTHOYSPDBBDGMY-TXEJJXNPSA-N 2 2 270.377 -0.242 20 0 CBADLP COC(=O)[C@H]1CN(C(=O)CCn2cc[nH+]c2)CC[N@H+](C)C1 ZINC000413923570 353961153 /nfs/dbraw/zinc/96/11/53/353961153.db2.gz RGJRRASMVAAPDT-GFCCVEGCSA-N 2 2 294.355 -0.164 20 0 CBADLP COC(=O)[C@H]1CN(C(=O)CCn2cc[nH+]c2)CC[N@@H+](C)C1 ZINC000413923570 353961154 /nfs/dbraw/zinc/96/11/54/353961154.db2.gz RGJRRASMVAAPDT-GFCCVEGCSA-N 2 2 294.355 -0.164 20 0 CBADLP [NH3+]CC1(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000414716338 353963013 /nfs/dbraw/zinc/96/30/13/353963013.db2.gz SIJGNEDWKYVASQ-GFCCVEGCSA-N 3 2 266.389 -0.379 20 0 CBADLP [NH3+]CC1(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000414716338 353963016 /nfs/dbraw/zinc/96/30/16/353963016.db2.gz SIJGNEDWKYVASQ-GFCCVEGCSA-N 3 2 266.389 -0.379 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)NCC(F)(F)C[NH3+] ZINC000418525649 354001201 /nfs/dbraw/zinc/00/12/01/354001201.db2.gz PNUWODGPEFYLBW-UHFFFAOYSA-N 2 2 280.319 -0.446 20 0 CBADLP CC(C)(O)C[NH+]1CCN(C(=O)NCC(F)(F)C[NH3+])CC1 ZINC000418542305 354002187 /nfs/dbraw/zinc/00/21/87/354002187.db2.gz RLYOMJUHSAHILU-UHFFFAOYSA-N 2 2 294.346 -0.322 20 0 CBADLP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCc1[nH+]ccn1C ZINC000419660403 354068045 /nfs/dbraw/zinc/06/80/45/354068045.db2.gz KZKWQAFYTUGHRF-LLVKDONJSA-N 2 2 293.371 -0.363 20 0 CBADLP C[C@@H]1CN(C(=O)C(=O)NCCCn2cc[nH+]c2)C[C@@H](C)[NH2+]1 ZINC000419721489 354072651 /nfs/dbraw/zinc/07/26/51/354072651.db2.gz KBJNGUFSHIVCPL-VXGBXAGGSA-N 2 2 293.371 -0.402 20 0 CBADLP O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000419915297 354093352 /nfs/dbraw/zinc/09/33/52/354093352.db2.gz WXRSWHDJAUUHRR-NSHDSACASA-N 2 2 280.372 -0.839 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)CC1 ZINC000419974220 354099241 /nfs/dbraw/zinc/09/92/41/354099241.db2.gz JCOITOFCSUHZKZ-CYBMUJFWSA-N 2 2 296.415 -0.344 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N[C@H](C)CC[NH3+])CC1 ZINC000419993467 354101083 /nfs/dbraw/zinc/10/10/83/354101083.db2.gz KKZLCEIWFNSUEH-SNVBAGLBSA-N 2 2 256.350 -0.996 20 0 CBADLP C[C@@H](Nc1cc(N2CCN(C)C(=O)C2)[nH+]cn1)[C@H](C)[NH3+] ZINC000420266502 354120721 /nfs/dbraw/zinc/12/07/21/354120721.db2.gz QTDJPINFIRTBCM-VHSXEESVSA-N 2 2 278.360 -0.097 20 0 CBADLP NC(=O)C[N@H+](CCN1CC[NH2+]CC1)Cc1ccccc1 ZINC000420297881 354121906 /nfs/dbraw/zinc/12/19/06/354121906.db2.gz GLRTYHQDRADOSP-UHFFFAOYSA-N 2 2 276.384 -0.121 20 0 CBADLP NC(=O)C[N@@H+](CCN1CC[NH2+]CC1)Cc1ccccc1 ZINC000420297881 354121907 /nfs/dbraw/zinc/12/19/07/354121907.db2.gz GLRTYHQDRADOSP-UHFFFAOYSA-N 2 2 276.384 -0.121 20 0 CBADLP C[C@H]1CC[N@H+](CCC(=O)N2CC[NH2+]CC2)[C@@H](C[NH3+])C1 ZINC000420333988 354124364 /nfs/dbraw/zinc/12/43/64/354124364.db2.gz KOXOQZAQMSYFEX-QWHCGFSZSA-N 3 2 268.405 -0.133 20 0 CBADLP C[C@H]1CC[N@@H+](CCC(=O)N2CC[NH2+]CC2)[C@@H](C[NH3+])C1 ZINC000420333988 354124367 /nfs/dbraw/zinc/12/43/67/354124367.db2.gz KOXOQZAQMSYFEX-QWHCGFSZSA-N 3 2 268.405 -0.133 20 0 CBADLP CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000420357501 354125502 /nfs/dbraw/zinc/12/55/02/354125502.db2.gz DQXPJRMOHZFOTO-DOLQZWNJSA-N 2 2 256.350 -0.193 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCCO[C@H](C[NH3+])C2)CC1 ZINC000420398094 354127067 /nfs/dbraw/zinc/12/70/67/354127067.db2.gz YKIRHEBQXMPCLJ-UONOGXRCSA-N 3 2 298.431 -0.411 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCCO[C@H](C[NH3+])C2)CC1 ZINC000420398094 354127073 /nfs/dbraw/zinc/12/70/73/354127073.db2.gz YKIRHEBQXMPCLJ-UONOGXRCSA-N 3 2 298.431 -0.411 20 0 CBADLP CCCCOCCNC(=O)C[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000420383160 354127106 /nfs/dbraw/zinc/12/71/06/354127106.db2.gz FFUDGYXZBOEWEG-CYBMUJFWSA-N 2 2 287.404 -0.031 20 0 CBADLP CCCCOCCNC(=O)C[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000420383160 354127110 /nfs/dbraw/zinc/12/71/10/354127110.db2.gz FFUDGYXZBOEWEG-CYBMUJFWSA-N 2 2 287.404 -0.031 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@H]([NH3+])C2CCC2)CC1 ZINC000423309432 354168240 /nfs/dbraw/zinc/16/82/40/354168240.db2.gz ZSVMWUATDQOXCV-GFCCVEGCSA-N 2 2 255.362 -0.096 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@H]2C[C@H](C)CC[NH2+]2)CC1 ZINC000423346321 354170707 /nfs/dbraw/zinc/17/07/07/354170707.db2.gz ZUEKDARPCJFSMB-TZMCWYRMSA-N 2 2 296.415 -0.345 20 0 CBADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[NH2+][C@@H](C)C2)C[C@@H]1C ZINC000423365420 354172055 /nfs/dbraw/zinc/17/20/55/354172055.db2.gz BFGZIYWVQLZRFH-AVGNSLFASA-N 2 2 296.415 -0.252 20 0 CBADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[NH2+][C@@H](C)C2)C[C@@H]1C ZINC000423365420 354172060 /nfs/dbraw/zinc/17/20/60/354172060.db2.gz BFGZIYWVQLZRFH-AVGNSLFASA-N 2 2 296.415 -0.252 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]([NH3+])C1CCC1 ZINC000423379781 354173805 /nfs/dbraw/zinc/17/38/05/354173805.db2.gz NFMPEENAERYBEB-PWSUYJOCSA-N 2 2 255.362 -0.049 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]([NH3+])C1CCC1 ZINC000423379781 354173806 /nfs/dbraw/zinc/17/38/06/354173806.db2.gz NFMPEENAERYBEB-PWSUYJOCSA-N 2 2 255.362 -0.049 20 0 CBADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NC[C@@]1(COC)CCC[NH2+]1 ZINC000423415745 354175887 /nfs/dbraw/zinc/17/58/87/354175887.db2.gz PIQLKNGRDGOITC-OUCADQQQSA-N 2 2 285.388 -0.362 20 0 CBADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000422708318 354151641 /nfs/dbraw/zinc/15/16/41/354151641.db2.gz BOAHPLPKBFIMMW-QWHCGFSZSA-N 3 2 268.405 -0.262 20 0 CBADLP CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]C[C@@H](C)C[NH+]1CCOCC1 ZINC000422755607 354153838 /nfs/dbraw/zinc/15/38/38/354153838.db2.gz FWPBAWJNEGMIFE-MGPQQGTHSA-N 2 2 299.415 -0.162 20 0 CBADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NCC[N@H+](C)CCOC ZINC000422906269 354157229 /nfs/dbraw/zinc/15/72/29/354157229.db2.gz JKXDCRZLSCFFEY-VXGBXAGGSA-N 2 2 273.377 -0.552 20 0 CBADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NCC[N@@H+](C)CCOC ZINC000422906269 354157231 /nfs/dbraw/zinc/15/72/31/354157231.db2.gz JKXDCRZLSCFFEY-VXGBXAGGSA-N 2 2 273.377 -0.552 20 0 CBADLP COCCN(C)CC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422903548 354157377 /nfs/dbraw/zinc/15/73/77/354157377.db2.gz FPCLLCHNPNIDGE-KBPBESRZSA-N 2 2 271.405 -0.079 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000422981254 354159384 /nfs/dbraw/zinc/15/93/84/354159384.db2.gz SKCJMHRQLMVHPM-QWHCGFSZSA-N 2 2 296.415 -0.264 20 0 CBADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCNC(=O)c1ccn[nH]1 ZINC000423040401 354160545 /nfs/dbraw/zinc/16/05/45/354160545.db2.gz GZTGCLOFWYZOIA-GXSJLCMTSA-N 2 2 251.334 -0.273 20 0 CBADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCNC(=O)c1ccn[nH]1 ZINC000423040407 354160619 /nfs/dbraw/zinc/16/06/19/354160619.db2.gz GZTGCLOFWYZOIA-KOLCDFICSA-N 2 2 251.334 -0.273 20 0 CBADLP COC(=O)c1cn(CC[NH2+][C@H]2C[NH2+]CC[C@@H]2C)nn1 ZINC000423098506 354162231 /nfs/dbraw/zinc/16/22/31/354162231.db2.gz CYDVFUSFVMHCLU-UWVGGRQHSA-N 2 2 267.333 -0.348 20 0 CBADLP CC[C@H](CNS(C)(=O)=O)[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000423153141 354163519 /nfs/dbraw/zinc/16/35/19/354163519.db2.gz GEYILDXPCIBMIZ-AXFHLTTASA-N 2 2 263.407 -0.098 20 0 CBADLP COCC[NH2+]CCNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000423515219 354178953 /nfs/dbraw/zinc/17/89/53/354178953.db2.gz MVNNZXJBCASXJG-AWEZNQCLSA-N 2 2 299.415 -0.161 20 0 CBADLP COCC[NH2+]CCNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000423515219 354178957 /nfs/dbraw/zinc/17/89/57/354178957.db2.gz MVNNZXJBCASXJG-AWEZNQCLSA-N 2 2 299.415 -0.161 20 0 CBADLP O=C(NC[C@H]1CC[NH2+]CC1(F)F)[C@@H]1C[NH2+]CCO1 ZINC000424182598 354217149 /nfs/dbraw/zinc/21/71/49/354217149.db2.gz ZSWAHSKAGRPCJT-BDAKNGLRSA-N 2 2 263.288 -0.664 20 0 CBADLP CN(CCC[NH+]1CCN(C)CC1)C(=O)[C@@H]1COCC[NH2+]1 ZINC000424181658 354217236 /nfs/dbraw/zinc/21/72/36/354217236.db2.gz ROJCIWIKYJBUCH-ZDUSSCGKSA-N 2 2 284.404 -0.929 20 0 CBADLP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000423643477 354188707 /nfs/dbraw/zinc/18/87/07/354188707.db2.gz NEZMXYZFJCXLPC-LBPRGKRZSA-N 2 2 294.399 -0.497 20 0 CBADLP O=C(C[C@@H]1COCC[NH2+]1)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424186330 354217270 /nfs/dbraw/zinc/21/72/70/354217270.db2.gz GSNPXDQJVDAMGV-VHSXEESVSA-N 2 2 277.315 -0.274 20 0 CBADLP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000423664026 354190050 /nfs/dbraw/zinc/19/00/50/354190050.db2.gz HLFGEWGNFUBRBF-RFQIPJPRSA-N 2 2 279.384 -0.036 20 0 CBADLP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000423664026 354190054 /nfs/dbraw/zinc/19/00/54/354190054.db2.gz HLFGEWGNFUBRBF-RFQIPJPRSA-N 2 2 279.384 -0.036 20 0 CBADLP CC(C)[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)CC1 ZINC000423686111 354192166 /nfs/dbraw/zinc/19/21/66/354192166.db2.gz UBSAMTGGYKBSSW-CHWSQXEVSA-N 2 2 296.415 -0.252 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000423732519 354194773 /nfs/dbraw/zinc/19/47/73/354194773.db2.gz MPTSMQILVWQQNF-LLVKDONJSA-N 2 2 284.404 -0.301 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000423732519 354194777 /nfs/dbraw/zinc/19/47/77/354194777.db2.gz MPTSMQILVWQQNF-LLVKDONJSA-N 2 2 284.404 -0.301 20 0 CBADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000423731318 354195247 /nfs/dbraw/zinc/19/52/47/354195247.db2.gz YWYMWURABJJEBG-KBPBESRZSA-N 2 2 298.431 -0.493 20 0 CBADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000423731318 354195250 /nfs/dbraw/zinc/19/52/50/354195250.db2.gz YWYMWURABJJEBG-KBPBESRZSA-N 2 2 298.431 -0.493 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])CC1 ZINC000423747002 354196128 /nfs/dbraw/zinc/19/61/28/354196128.db2.gz YRQCOJYHFHYEBJ-CHWSQXEVSA-N 2 2 296.415 -0.264 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)C[C@@H]1CSCC[NH2+]1 ZINC000423740022 354196246 /nfs/dbraw/zinc/19/62/46/354196246.db2.gz GITOXRBJJYDXLY-GFCCVEGCSA-N 2 2 287.429 -0.128 20 0 CBADLP O=C(C[NH2+]CC1CC1)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000423756562 354197368 /nfs/dbraw/zinc/19/73/68/354197368.db2.gz LFMGCVAUVQQACH-CYBMUJFWSA-N 2 2 267.373 -0.035 20 0 CBADLP O=C(C[NH2+]CC1CC1)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000423756562 354197372 /nfs/dbraw/zinc/19/73/72/354197372.db2.gz LFMGCVAUVQQACH-CYBMUJFWSA-N 2 2 267.373 -0.035 20 0 CBADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@H]2COCC[NH2+]2)CC1 ZINC000423786859 354199469 /nfs/dbraw/zinc/19/94/69/354199469.db2.gz QKGUOMJDWHETTN-NWDGAFQWSA-N 2 2 299.371 -0.929 20 0 CBADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C2([NH3+])CCC2)CC1 ZINC000423796177 354200847 /nfs/dbraw/zinc/20/08/47/354200847.db2.gz ZPRREQCJWUOUMB-NSHDSACASA-N 2 2 283.372 -0.036 20 0 CBADLP CO[C@H](C[NH3+])CC(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424198335 354217756 /nfs/dbraw/zinc/21/77/56/354217756.db2.gz XVLZBFCDMCWVRL-IUCAKERBSA-N 2 2 265.304 -0.289 20 0 CBADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H](C)[NH3+])C[C@H]1C ZINC000423896466 354204047 /nfs/dbraw/zinc/20/40/47/354204047.db2.gz OAWAHPVPAPRGBE-ZJUUUORDSA-N 2 2 257.334 -0.571 20 0 CBADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@H](C)[NH3+])C[C@H]1C ZINC000423896466 354204051 /nfs/dbraw/zinc/20/40/51/354204051.db2.gz OAWAHPVPAPRGBE-ZJUUUORDSA-N 2 2 257.334 -0.571 20 0 CBADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H](C)[NH3+])C[C@H]1C ZINC000423896462 354204574 /nfs/dbraw/zinc/20/45/74/354204574.db2.gz OAWAHPVPAPRGBE-NXEZZACHSA-N 2 2 257.334 -0.571 20 0 CBADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H](C)[NH3+])C[C@H]1C ZINC000423896462 354204576 /nfs/dbraw/zinc/20/45/76/354204576.db2.gz OAWAHPVPAPRGBE-NXEZZACHSA-N 2 2 257.334 -0.571 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000423943826 354206435 /nfs/dbraw/zinc/20/64/35/354206435.db2.gz GPNYHBUATXXMOS-LBPRGKRZSA-N 2 2 284.404 -0.362 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000423943826 354206437 /nfs/dbraw/zinc/20/64/37/354206437.db2.gz GPNYHBUATXXMOS-LBPRGKRZSA-N 2 2 284.404 -0.362 20 0 CBADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000424131463 354209584 /nfs/dbraw/zinc/20/95/84/354209584.db2.gz GQYXOUFHODRYKM-NEPJUHHUSA-N 2 2 282.388 -0.654 20 0 CBADLP O=C(NC[C@H]1CC[NH2+]CC1(F)F)[C@@H]1COCC[NH2+]1 ZINC000424166211 354212853 /nfs/dbraw/zinc/21/28/53/354212853.db2.gz GOAJVVHYBRGGDH-BDAKNGLRSA-N 2 2 263.288 -0.664 20 0 CBADLP O=C(COC1C[NH2+]C1)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424178686 354215091 /nfs/dbraw/zinc/21/50/91/354215091.db2.gz RSUHRLUGZNKPIZ-QMMMGPOBSA-N 2 2 263.288 -0.664 20 0 CBADLP O=C(C[C@H]1C[NH2+]CCO1)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424181521 354216527 /nfs/dbraw/zinc/21/65/27/354216527.db2.gz XWSVKTVEJWJQRX-ZJUUUORDSA-N 2 2 277.315 -0.274 20 0 CBADLP C[C@H](C(=O)NC(=O)NC1CC1)[NH+]1CCC([NH3+])CC1 ZINC000430602723 354250814 /nfs/dbraw/zinc/25/08/14/354250814.db2.gz IBABGOOESRTPBJ-MRVPVSSYSA-N 2 2 254.334 -0.214 20 0 CBADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H](NC(C)=O)C2)C1 ZINC000430954671 354251826 /nfs/dbraw/zinc/25/18/26/354251826.db2.gz KDTYETJEUZCTBB-KBPBESRZSA-N 2 2 296.415 -0.345 20 0 CBADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H](NC(C)=O)C2)C1 ZINC000430954671 354251828 /nfs/dbraw/zinc/25/18/28/354251828.db2.gz KDTYETJEUZCTBB-KBPBESRZSA-N 2 2 296.415 -0.345 20 0 CBADLP C[NH2+]C[C@H](C)C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000431027123 354251871 /nfs/dbraw/zinc/25/18/71/354251871.db2.gz HHDMAVJRYZQCDX-RYUDHWBXSA-N 2 2 256.394 -0.406 20 0 CBADLP O=C(NC[C@@H]1C[NH2+]C[C@H]1O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424464032 354224796 /nfs/dbraw/zinc/22/47/96/354224796.db2.gz HKSRDHRQBVLNBD-LPEHRKFASA-N 2 2 292.330 -0.889 20 0 CBADLP Cc1ccc(NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C)c(C)[nH+]1 ZINC000447247801 354294224 /nfs/dbraw/zinc/29/42/24/354294224.db2.gz SBKKEBCYJKJEOE-LLVKDONJSA-N 2 2 294.355 -0.324 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2)[NH+]1CCN(C)CC1 ZINC000444270374 354267748 /nfs/dbraw/zinc/26/77/48/354267748.db2.gz OZUMXCAYWCAFFB-VNHYZAJKSA-N 2 2 280.416 -0.262 20 0 CBADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000444272114 354267776 /nfs/dbraw/zinc/26/77/76/354267776.db2.gz VYHLJDZJBXMVGC-IPYPFGDCSA-N 2 2 280.416 -0.262 20 0 CBADLP C[C@H](CNC(=O)[C@H](C)[NH2+]C1CC1)[NH+]1CCOCC1 ZINC000449093369 354317540 /nfs/dbraw/zinc/31/75/40/354317540.db2.gz VZVYUTCKOGWRPV-MNOVXSKESA-N 2 2 255.362 -0.036 20 0 CBADLP C[C@H](CNC(=O)[C@@H](C)[NH2+]C1CC1)[NH+]1CCOCC1 ZINC000449093368 354317833 /nfs/dbraw/zinc/31/78/33/354317833.db2.gz VZVYUTCKOGWRPV-GHMZBOCLSA-N 2 2 255.362 -0.036 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@@H](C)[NH2+]C2CC2)CC1 ZINC000449319741 354319998 /nfs/dbraw/zinc/31/99/98/354319998.db2.gz ZQCJXBNZLADNSS-LLVKDONJSA-N 2 2 255.362 -0.083 20 0 CBADLP CN(C[C@@H]1CC[N@H+](C)C1)C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000458323562 354375911 /nfs/dbraw/zinc/37/59/11/354375911.db2.gz XLPVQUZFAALRRU-CHWSQXEVSA-N 2 2 284.404 -0.090 20 0 CBADLP CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000458323562 354375912 /nfs/dbraw/zinc/37/59/12/354375912.db2.gz XLPVQUZFAALRRU-CHWSQXEVSA-N 2 2 284.404 -0.090 20 0 CBADLP CN(C[C@@H]1CC[NH+](C)C1)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000458323562 354375913 /nfs/dbraw/zinc/37/59/13/354375913.db2.gz XLPVQUZFAALRRU-CHWSQXEVSA-N 2 2 284.404 -0.090 20 0 CBADLP CN(C[C@@H]1CC[NH+](C)C1)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000458323562 354375915 /nfs/dbraw/zinc/37/59/15/354375915.db2.gz XLPVQUZFAALRRU-CHWSQXEVSA-N 2 2 284.404 -0.090 20 0 CBADLP C[C@@H](CNC(=O)N(C)CC[NH+]1CCOCC1)[NH+](C)C ZINC000459037222 354381566 /nfs/dbraw/zinc/38/15/66/354381566.db2.gz GKYPBEDTLYPRRK-LBPRGKRZSA-N 2 2 272.393 -0.090 20 0 CBADLP C[C@@H](CNC(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1)[NH+](C)C ZINC000455432929 354359609 /nfs/dbraw/zinc/35/96/09/354359609.db2.gz OEHBYPRVQPVXLD-SRVKXCTJSA-N 2 2 270.377 -0.339 20 0 CBADLP C[C@@H](CNC(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1)[NH+](C)C ZINC000455432929 354359610 /nfs/dbraw/zinc/35/96/10/354359610.db2.gz OEHBYPRVQPVXLD-SRVKXCTJSA-N 2 2 270.377 -0.339 20 0 CBADLP C[C@@H]1CN(C(=O)[C@H]2C[NH+](C)CCO2)C[C@H](C)[N@H+]1CCO ZINC000456207898 354362025 /nfs/dbraw/zinc/36/20/25/354362025.db2.gz HPLQWYZZZWIKTB-FRRDWIJNSA-N 2 2 285.388 -0.770 20 0 CBADLP C[C@@H]1CN(C(=O)[C@H]2C[NH+](C)CCO2)C[C@H](C)[N@@H+]1CCO ZINC000456207898 354362028 /nfs/dbraw/zinc/36/20/28/354362028.db2.gz HPLQWYZZZWIKTB-FRRDWIJNSA-N 2 2 285.388 -0.770 20 0 CBADLP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H](C)[NH+]1CCO ZINC000456207898 354362034 /nfs/dbraw/zinc/36/20/34/354362034.db2.gz HPLQWYZZZWIKTB-FRRDWIJNSA-N 2 2 285.388 -0.770 20 0 CBADLP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H](C)[NH+]1CCO ZINC000456207898 354362036 /nfs/dbraw/zinc/36/20/36/354362036.db2.gz HPLQWYZZZWIKTB-FRRDWIJNSA-N 2 2 285.388 -0.770 20 0 CBADLP C[C@H]1C[N@H+](CCO)CCN1C(=O)[C@@H]1CCC[NH+]1C ZINC000457141940 354370111 /nfs/dbraw/zinc/37/01/11/354370111.db2.gz YMQVPBZSZASQDY-RYUDHWBXSA-N 2 2 255.362 -0.394 20 0 CBADLP C[C@H]1C[N@@H+](CCO)CCN1C(=O)[C@@H]1CCC[NH+]1C ZINC000457141940 354370114 /nfs/dbraw/zinc/37/01/14/354370114.db2.gz YMQVPBZSZASQDY-RYUDHWBXSA-N 2 2 255.362 -0.394 20 0 CBADLP C[C@H]1C[NH+](CCO)CCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC000457141940 354370117 /nfs/dbraw/zinc/37/01/17/354370117.db2.gz YMQVPBZSZASQDY-RYUDHWBXSA-N 2 2 255.362 -0.394 20 0 CBADLP C[C@H]1C[NH+](CCO)CCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC000457141940 354370118 /nfs/dbraw/zinc/37/01/18/354370118.db2.gz YMQVPBZSZASQDY-RYUDHWBXSA-N 2 2 255.362 -0.394 20 0 CBADLP COCC[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@H]1CCO[C@H]1C ZINC000489467484 354432913 /nfs/dbraw/zinc/43/29/13/354432913.db2.gz USVPHENEHQCIMZ-KBPBESRZSA-N 2 2 299.415 -0.114 20 0 CBADLP COCC[N@@H+](CC(=O)N1CC[NH+](C)CC1)[C@H]1CCO[C@H]1C ZINC000489467484 354432915 /nfs/dbraw/zinc/43/29/15/354432915.db2.gz USVPHENEHQCIMZ-KBPBESRZSA-N 2 2 299.415 -0.114 20 0 CBADLP COCC[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@@H]1CCO[C@@H]1C ZINC000489467490 354432984 /nfs/dbraw/zinc/43/29/84/354432984.db2.gz USVPHENEHQCIMZ-ZIAGYGMSSA-N 2 2 299.415 -0.114 20 0 CBADLP COCC[N@@H+](CC(=O)N1CC[NH+](C)CC1)[C@@H]1CCO[C@@H]1C ZINC000489467490 354432985 /nfs/dbraw/zinc/43/29/85/354432985.db2.gz USVPHENEHQCIMZ-ZIAGYGMSSA-N 2 2 299.415 -0.114 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000344138057 283021614 /nfs/dbraw/zinc/02/16/14/283021614.db2.gz SSUCPTWSCLOFPT-JQWIXIFHSA-N 2 2 253.346 -0.330 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000344138057 283021617 /nfs/dbraw/zinc/02/16/17/283021617.db2.gz SSUCPTWSCLOFPT-JQWIXIFHSA-N 2 2 253.346 -0.330 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000344138057 283021621 /nfs/dbraw/zinc/02/16/21/283021621.db2.gz SSUCPTWSCLOFPT-JQWIXIFHSA-N 2 2 253.346 -0.330 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000344138057 283021624 /nfs/dbraw/zinc/02/16/24/283021624.db2.gz SSUCPTWSCLOFPT-JQWIXIFHSA-N 2 2 253.346 -0.330 20 0 CBADLP C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000479783230 354408557 /nfs/dbraw/zinc/40/85/57/354408557.db2.gz VTAGSNIZIONROA-QNWHQSFQSA-N 2 2 294.399 -0.750 20 0 CBADLP C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000479783230 354408561 /nfs/dbraw/zinc/40/85/61/354408561.db2.gz VTAGSNIZIONROA-QNWHQSFQSA-N 2 2 294.399 -0.750 20 0 CBADLP CCC[N@H+](C)CC(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000487602153 354417958 /nfs/dbraw/zinc/41/79/58/354417958.db2.gz HKFLEYZYSYZRID-UHFFFAOYSA-N 2 2 294.403 -0.236 20 0 CBADLP CCC[N@@H+](C)CC(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000487602153 354417960 /nfs/dbraw/zinc/41/79/60/354417960.db2.gz HKFLEYZYSYZRID-UHFFFAOYSA-N 2 2 294.403 -0.236 20 0 CBADLP CC(C)[C@H]1CN(C[C@@H](O)C[NH+]2CCOCC2)CC[N@@H+]1C ZINC000487982443 354419812 /nfs/dbraw/zinc/41/98/12/354419812.db2.gz RJNFPACAFGWVNH-LSDHHAIUSA-N 2 2 285.432 -0.049 20 0 CBADLP CC(C)[C@H]1CN(C[C@@H](O)C[NH+]2CCOCC2)CC[N@H+]1C ZINC000487982443 354419814 /nfs/dbraw/zinc/41/98/14/354419814.db2.gz RJNFPACAFGWVNH-LSDHHAIUSA-N 2 2 285.432 -0.049 20 0 CBADLP [NH3+]CC(F)(F)CNC(=O)[C@H]([NH3+])c1cscn1 ZINC000573963219 334981130 /nfs/dbraw/zinc/98/11/30/334981130.db2.gz AKFCUYJEAWCLEM-ZCFIWIBFSA-N 2 2 250.274 -0.147 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)/C=C/C[NH+](C)C ZINC000491869301 354461271 /nfs/dbraw/zinc/46/12/71/354461271.db2.gz NABRCUAAXLRPJD-ITKZLYELSA-N 2 2 255.362 -0.059 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000492462734 354474561 /nfs/dbraw/zinc/47/45/61/354474561.db2.gz OGLZTSLXYSLWGZ-NSHDSACASA-N 2 2 292.387 -0.548 20 0 CBADLP O=C(C=Cc1c[nH]c[nH+]1)N1CC[NH+](CCO)CC1 ZINC000493001555 354485983 /nfs/dbraw/zinc/48/59/83/354485983.db2.gz CIBYPVBKZTZFDB-UPHRSURJSA-N 2 2 250.302 -0.441 20 0 CBADLP Cn1nccc1/C=C\C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000493126288 354489016 /nfs/dbraw/zinc/48/90/16/354489016.db2.gz HDBUPRLDWFLLPS-MVZIDQBPSA-N 2 2 263.345 -0.465 20 0 CBADLP Cn1nccc1/C=C\C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000493126288 354489020 /nfs/dbraw/zinc/48/90/20/354489020.db2.gz HDBUPRLDWFLLPS-MVZIDQBPSA-N 2 2 263.345 -0.465 20 0 CBADLP C[C@@H](NC(=O)/C=C/c1[nH]cc[nH+]1)C(=O)NCC[NH+](C)C ZINC000493163079 354489942 /nfs/dbraw/zinc/48/99/42/354489942.db2.gz KJTKTNQWJOZALO-ORAHPGNNSA-N 2 2 279.344 -0.395 20 0 CBADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000515306186 354555794 /nfs/dbraw/zinc/55/57/94/354555794.db2.gz YILSCWSTXIKTJD-DTWKUNHWSA-N 2 2 256.268 -0.044 20 0 CBADLP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000515306186 354555796 /nfs/dbraw/zinc/55/57/96/354555796.db2.gz YILSCWSTXIKTJD-DTWKUNHWSA-N 2 2 256.268 -0.044 20 0 CBADLP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)CN3CC[NH2+]CC3=O)C[C@H]21 ZINC000518531826 354558929 /nfs/dbraw/zinc/55/89/29/354558929.db2.gz CBEBVXATCDFCCY-IJLUTSLNSA-N 2 2 280.372 -0.996 20 0 CBADLP C[C@H](C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)[NH+]1CCN(C)CC1 ZINC000519398328 354560862 /nfs/dbraw/zinc/56/08/62/354560862.db2.gz QYLGUFPHFMYWHS-UPJWGTAASA-N 2 2 266.389 -0.700 20 0 CBADLP C[N@@H+]1CCO[C@@H](CNC(=O)NCC[C@H]2CCC[NH2+]2)C1 ZINC000519590096 354563642 /nfs/dbraw/zinc/56/36/42/354563642.db2.gz SHHJCBHFTLLYFM-NEPJUHHUSA-N 2 2 270.377 -0.242 20 0 CBADLP C[N@H+]1CCO[C@@H](CNC(=O)NCC[C@H]2CCC[NH2+]2)C1 ZINC000519590096 354563645 /nfs/dbraw/zinc/56/36/45/354563645.db2.gz SHHJCBHFTLLYFM-NEPJUHHUSA-N 2 2 270.377 -0.242 20 0 CBADLP CC[NH+](CC)CCC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000519601092 354564340 /nfs/dbraw/zinc/56/43/40/354564340.db2.gz ZWQZHDNJLQBTRD-HNNXBMFYSA-N 3 2 286.464 -0.084 20 0 CBADLP CN1CC[N@H+](C)[C@H](CNC(=O)N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000529308978 354583840 /nfs/dbraw/zinc/58/38/40/354583840.db2.gz XIIWPVRNHUKBCT-CHWSQXEVSA-N 2 2 295.431 -0.184 20 0 CBADLP CN1CC[N@@H+](C)[C@H](CNC(=O)N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000529308978 354583843 /nfs/dbraw/zinc/58/38/43/354583843.db2.gz XIIWPVRNHUKBCT-CHWSQXEVSA-N 2 2 295.431 -0.184 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)NCCc2c[nH+]cn2C)C1 ZINC000541552436 354625882 /nfs/dbraw/zinc/62/58/82/354625882.db2.gz UXJFWDXXOCSTDE-GFCCVEGCSA-N 2 2 266.345 -0.201 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)NCCc2c[nH+]cn2C)C1 ZINC000541552436 354625885 /nfs/dbraw/zinc/62/58/85/354625885.db2.gz UXJFWDXXOCSTDE-GFCCVEGCSA-N 2 2 266.345 -0.201 20 0 CBADLP CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000536067141 354605288 /nfs/dbraw/zinc/60/52/88/354605288.db2.gz NCIKVFKGNWPFTI-SECBINFHSA-N 2 2 265.317 -0.335 20 0 CBADLP CNC(=O)NC(=O)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000536067141 354605291 /nfs/dbraw/zinc/60/52/91/354605291.db2.gz NCIKVFKGNWPFTI-SECBINFHSA-N 2 2 265.317 -0.335 20 0 CBADLP O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CC(n2cc[nH+]c2)C1 ZINC000536535427 354607545 /nfs/dbraw/zinc/60/75/45/354607545.db2.gz IPOWOMRSTPFPJG-ZDUSSCGKSA-N 2 2 275.356 -0.344 20 0 CBADLP O=C([C@@H]1C[N@H+]2CCN1CCC2)N1CC(n2cc[nH+]c2)C1 ZINC000536535427 354607548 /nfs/dbraw/zinc/60/75/48/354607548.db2.gz IPOWOMRSTPFPJG-ZDUSSCGKSA-N 2 2 275.356 -0.344 20 0 CBADLP C[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@@H]1COC[C@H]1O ZINC000556831082 354683849 /nfs/dbraw/zinc/68/38/49/354683849.db2.gz IXODQHWTPDOQLY-ZIAGYGMSSA-N 2 2 297.399 -0.579 20 0 CBADLP C[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@@H]1COC[C@H]1O ZINC000556831082 354683850 /nfs/dbraw/zinc/68/38/50/354683850.db2.gz IXODQHWTPDOQLY-ZIAGYGMSSA-N 2 2 297.399 -0.579 20 0 CBADLP C[N@@H+]1CCN(C(=O)NCCC(=O)NC(C)(C)C)[C@H](C[NH3+])C1 ZINC000557153983 354685572 /nfs/dbraw/zinc/68/55/72/354685572.db2.gz ANPAIRSRARDJLF-LLVKDONJSA-N 2 2 299.419 -0.425 20 0 CBADLP C[N@H+]1CCN(C(=O)NCCC(=O)NC(C)(C)C)[C@H](C[NH3+])C1 ZINC000557153983 354685574 /nfs/dbraw/zinc/68/55/74/354685574.db2.gz ANPAIRSRARDJLF-LLVKDONJSA-N 2 2 299.419 -0.425 20 0 CBADLP O=C(C[NH2+]C1CC1)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000563075132 354694519 /nfs/dbraw/zinc/69/45/19/354694519.db2.gz VRZHWBUEJABAGU-UHFFFAOYSA-N 2 2 293.371 -0.094 20 0 CBADLP COCC[NH2+]CC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000563198323 354701917 /nfs/dbraw/zinc/70/19/17/354701917.db2.gz QIEUZQZMASFEAA-LLVKDONJSA-N 2 2 259.350 -0.941 20 0 CBADLP COCC[NH2+]CC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000563198323 354701919 /nfs/dbraw/zinc/70/19/19/354701919.db2.gz QIEUZQZMASFEAA-LLVKDONJSA-N 2 2 259.350 -0.941 20 0 CBADLP C[C@H](NC(=O)[C@H]1C[C@@H]([NH3+])C1)[C@H](C)[NH+]1CCOCC1 ZINC000563203299 354702694 /nfs/dbraw/zinc/70/26/94/354702694.db2.gz TUILYMIJDZVVAY-FIQHERPVSA-N 2 2 255.362 -0.051 20 0 CBADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)N[C@H]1CC[NH2+]C1 ZINC000563821087 354706051 /nfs/dbraw/zinc/70/60/51/354706051.db2.gz DGPLVFFQVBGDMH-RWMBFGLXSA-N 2 2 282.388 -0.147 20 0 CBADLP CCC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000565240307 354734558 /nfs/dbraw/zinc/73/45/58/354734558.db2.gz UUZHAKANLNOLGP-RVMXOQNASA-N 2 2 296.415 -0.077 20 0 CBADLP CCC[C@H](C)NC(=O)[C@H](C)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000565240307 354734559 /nfs/dbraw/zinc/73/45/59/354734559.db2.gz UUZHAKANLNOLGP-RVMXOQNASA-N 2 2 296.415 -0.077 20 0 CBADLP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)[C@@H]1CC[NH2+]C1 ZINC000564085248 354709795 /nfs/dbraw/zinc/70/97/95/354709795.db2.gz IULKLUKWXWTXLS-GFCCVEGCSA-N 3 2 254.378 -0.556 20 0 CBADLP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)[C@@H]1CC[NH2+]C1 ZINC000564085248 354709799 /nfs/dbraw/zinc/70/97/99/354709799.db2.gz IULKLUKWXWTXLS-GFCCVEGCSA-N 3 2 254.378 -0.556 20 0 CBADLP Cc1c[nH+]ccc1NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000564231175 354711654 /nfs/dbraw/zinc/71/16/54/354711654.db2.gz WTFOMPWBNOTXFC-QWRGUYRKSA-N 2 2 289.339 -0.412 20 0 CBADLP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000564922423 354720207 /nfs/dbraw/zinc/72/02/07/354720207.db2.gz HGSKGNPLGUNMQC-GRYCIOLGSA-N 2 2 255.362 -0.179 20 0 CBADLP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000564922423 354720211 /nfs/dbraw/zinc/72/02/11/354720211.db2.gz HGSKGNPLGUNMQC-GRYCIOLGSA-N 2 2 255.362 -0.179 20 0 CBADLP C[NH2+]C[C@H]1CCCN1C(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000564944035 354722061 /nfs/dbraw/zinc/72/20/61/354722061.db2.gz GSPYMSJEDCZDQU-GFCCVEGCSA-N 2 2 284.404 -0.347 20 0 CBADLP C[NH2+]C[C@H]1CCCN1C(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000564944035 354722063 /nfs/dbraw/zinc/72/20/63/354722063.db2.gz GSPYMSJEDCZDQU-GFCCVEGCSA-N 2 2 284.404 -0.347 20 0 CBADLP COCCCn1nccc1CN1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000564973736 354722900 /nfs/dbraw/zinc/72/29/00/354722900.db2.gz VGZYPEDBTULHDZ-CQSZACIVSA-N 2 2 281.404 -0.006 20 0 CBADLP COCCCn1nccc1CN1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000564973736 354722902 /nfs/dbraw/zinc/72/29/02/354722902.db2.gz VGZYPEDBTULHDZ-CQSZACIVSA-N 2 2 281.404 -0.006 20 0 CBADLP COC(=O)CCNC(=O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000564986470 354723801 /nfs/dbraw/zinc/72/38/01/354723801.db2.gz PLNHBBOXKQIJSJ-QWRGUYRKSA-N 2 2 269.345 -0.651 20 0 CBADLP COC(=O)CCNC(=O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000564986470 354723805 /nfs/dbraw/zinc/72/38/05/354723805.db2.gz PLNHBBOXKQIJSJ-QWRGUYRKSA-N 2 2 269.345 -0.651 20 0 CBADLP CC[NH+]1CCN(CC(=O)N2CC[NH2+]C[C@](C)(F)C2)CC1 ZINC000565041689 354726432 /nfs/dbraw/zinc/72/64/32/354726432.db2.gz YPRRQNFULJJGFN-AWEZNQCLSA-N 2 2 286.395 -0.216 20 0 CBADLP CN(Cc1cnn(C)c1)C(=O)C[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000565044981 354726649 /nfs/dbraw/zinc/72/66/49/354726649.db2.gz VEZCUFBKJTWDMH-CYBMUJFWSA-N 2 2 295.387 -0.572 20 0 CBADLP CN(Cc1cnn(C)c1)C(=O)C[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000565044981 354726653 /nfs/dbraw/zinc/72/66/53/354726653.db2.gz VEZCUFBKJTWDMH-CYBMUJFWSA-N 2 2 295.387 -0.572 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCCC[C@@]1(C)C(N)=O ZINC000565158204 354730160 /nfs/dbraw/zinc/73/01/60/354730160.db2.gz RFZRBUUTQCHLEJ-OCCSQVGLSA-N 2 2 287.404 -0.345 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC[C@@]1(C)C(N)=O ZINC000565158204 354730163 /nfs/dbraw/zinc/73/01/63/354730163.db2.gz RFZRBUUTQCHLEJ-OCCSQVGLSA-N 2 2 287.404 -0.345 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCCC[C@@]1(C)C(N)=O ZINC000565158204 354730165 /nfs/dbraw/zinc/73/01/65/354730165.db2.gz RFZRBUUTQCHLEJ-OCCSQVGLSA-N 2 2 287.404 -0.345 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCCC[C@@]1(C)C(N)=O ZINC000565158204 354730167 /nfs/dbraw/zinc/73/01/67/354730167.db2.gz RFZRBUUTQCHLEJ-OCCSQVGLSA-N 2 2 287.404 -0.345 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(NC(=O)NC)CC1 ZINC000565172890 354730253 /nfs/dbraw/zinc/73/02/53/354730253.db2.gz RNXLRDSMWOGOAD-GFCCVEGCSA-N 2 2 272.393 -0.308 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(NC(=O)NC)CC1 ZINC000565172890 354730257 /nfs/dbraw/zinc/73/02/57/354730257.db2.gz RNXLRDSMWOGOAD-GFCCVEGCSA-N 2 2 272.393 -0.308 20 0 CBADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]C[C@H](O)C2CC2)C[C@@H](C)O1 ZINC000565775414 354745756 /nfs/dbraw/zinc/74/57/56/354745756.db2.gz RSVFCXDDHRDVGN-OXHZDVMGSA-N 2 2 272.389 -0.183 20 0 CBADLP O=C(Nc1cc[nH+]cc1O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000566179708 354754917 /nfs/dbraw/zinc/75/49/17/354754917.db2.gz WCBPVPWXAKEMSB-UHFFFAOYSA-N 2 2 288.311 -0.023 20 0 CBADLP Cn1cc(C[NH+]2CCN(C(=O)C3([NH3+])CCC3)CC2)cn1 ZINC000566179122 354755387 /nfs/dbraw/zinc/75/53/87/354755387.db2.gz DKMZELAWOKPDIS-UHFFFAOYSA-N 2 2 277.372 -0.054 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000566199779 354756852 /nfs/dbraw/zinc/75/68/52/354756852.db2.gz SFUABMDFKHWTPT-NSHDSACASA-N 2 2 270.377 -0.737 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000566199779 354756854 /nfs/dbraw/zinc/75/68/54/354756854.db2.gz SFUABMDFKHWTPT-NSHDSACASA-N 2 2 270.377 -0.737 20 0 CBADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)C[NH2+]CC2CC2)CC1 ZINC000566250900 354760091 /nfs/dbraw/zinc/76/00/91/354760091.db2.gz HXWFUCHEGCFMFX-UHFFFAOYSA-N 2 2 296.415 -0.344 20 0 CBADLP CCNC(=O)C[N@H+]1CCCN(C(=O)C[NH2+]CC2CC2)CC1 ZINC000566250900 354760095 /nfs/dbraw/zinc/76/00/95/354760095.db2.gz HXWFUCHEGCFMFX-UHFFFAOYSA-N 2 2 296.415 -0.344 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000566249456 354760154 /nfs/dbraw/zinc/76/01/54/354760154.db2.gz SEMROQNGPZUGLV-OLZOCXBDSA-N 2 2 294.399 -0.591 20 0 CBADLP Cn1c[nH+]cc1CCC[N@@H+]1CCOC[C@@H]1CC(N)=O ZINC000566428661 354766299 /nfs/dbraw/zinc/76/62/99/354766299.db2.gz JJMXTMZLTCNBOZ-LBPRGKRZSA-N 2 2 266.345 -0.071 20 0 CBADLP Cn1c[nH+]cc1CCC[N@H+]1CCOC[C@@H]1CC(N)=O ZINC000566428661 354766304 /nfs/dbraw/zinc/76/63/04/354766304.db2.gz JJMXTMZLTCNBOZ-LBPRGKRZSA-N 2 2 266.345 -0.071 20 0 CBADLP C[C@@H]1CC[N@H+](CC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C1 ZINC000566441714 354766374 /nfs/dbraw/zinc/76/63/74/354766374.db2.gz JQQDJEYJQMUUNY-KGLIPLIRSA-N 2 2 299.415 -0.520 20 0 CBADLP C[C@@H]1CC[N@@H+](CC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C1 ZINC000566441714 354766379 /nfs/dbraw/zinc/76/63/79/354766379.db2.gz JQQDJEYJQMUUNY-KGLIPLIRSA-N 2 2 299.415 -0.520 20 0 CBADLP O=C(NCC[C@H]1CCC[NH2+]1)NCC[NH+]1CCOCC1 ZINC000566667146 354772959 /nfs/dbraw/zinc/77/29/59/354772959.db2.gz LCWOJRCYPQLJIB-GFCCVEGCSA-N 2 2 270.377 -0.240 20 0 CBADLP NC(=O)c1csc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c1 ZINC000566749451 354774474 /nfs/dbraw/zinc/77/44/74/354774474.db2.gz SNWURKLHLNLPFA-ONGXEEELSA-N 2 2 294.380 -0.409 20 0 CBADLP NC(=O)c1csc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c1 ZINC000566749451 354774476 /nfs/dbraw/zinc/77/44/76/354774476.db2.gz SNWURKLHLNLPFA-ONGXEEELSA-N 2 2 294.380 -0.409 20 0 CBADLP C[C@H](C(=O)N(C)C1(C[NH3+])CCC1)[NH+]1CCN(C)CC1 ZINC000566974588 354778919 /nfs/dbraw/zinc/77/89/19/354778919.db2.gz BCMAWWOKUSHIIS-GFCCVEGCSA-N 2 2 268.405 -0.038 20 0 CBADLP C[N@@H+]1CCN(C(=O)N[C@H](C[NH3+])C2CCCC2)[C@H](C[NH3+])C1 ZINC000567031378 354779858 /nfs/dbraw/zinc/77/98/58/354779858.db2.gz KDJSPWLUTZKZMY-CHWSQXEVSA-N 3 2 283.420 -0.212 20 0 CBADLP C[N@H+]1CCN(C(=O)N[C@H](C[NH3+])C2CCCC2)[C@H](C[NH3+])C1 ZINC000567031378 354779859 /nfs/dbraw/zinc/77/98/59/354779859.db2.gz KDJSPWLUTZKZMY-CHWSQXEVSA-N 3 2 283.420 -0.212 20 0 CBADLP COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)C[NH2+]CC2CC2)C1 ZINC000567232943 354783233 /nfs/dbraw/zinc/78/32/33/354783233.db2.gz RGJXEVYZTVJLFW-ZDUSSCGKSA-N 2 2 297.399 -0.013 20 0 CBADLP COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)C[NH2+]CC2CC2)C1 ZINC000567232943 354783235 /nfs/dbraw/zinc/78/32/35/354783235.db2.gz RGJXEVYZTVJLFW-ZDUSSCGKSA-N 2 2 297.399 -0.013 20 0 CBADLP C[NH2+]C[C@H]1CCCN1C(=O)[C@H](C)[NH+]1CCN(C)CC1 ZINC000567353305 354785790 /nfs/dbraw/zinc/78/57/90/354785790.db2.gz LMSBPFJQGPIAFF-QWHCGFSZSA-N 2 2 268.405 -0.167 20 0 CBADLP O=C(NCC1([NH+]2CCOCC2)CC1)N1CC[NH2+]CC1 ZINC000565411609 354736997 /nfs/dbraw/zinc/73/69/97/354736997.db2.gz XXRBQEINCYDMQD-UHFFFAOYSA-N 2 2 268.361 -0.534 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)COC1CC[NH2+]CC1 ZINC000565653927 354742876 /nfs/dbraw/zinc/74/28/76/354742876.db2.gz GKZSDOZKPZZYCZ-GFCCVEGCSA-N 2 2 285.388 -0.408 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)COC1CC[NH2+]CC1 ZINC000565653927 354742877 /nfs/dbraw/zinc/74/28/77/354742877.db2.gz GKZSDOZKPZZYCZ-GFCCVEGCSA-N 2 2 285.388 -0.408 20 0 CBADLP C[C@H]1CCN(C(=O)C(=O)NC2C[NH2+]C2)C[C@H]1n1cc[nH+]c1 ZINC000565647994 354743190 /nfs/dbraw/zinc/74/31/90/354743190.db2.gz KDDRADIWYSACET-CMPLNLGQSA-N 2 2 291.355 -0.619 20 0 CBADLP Cn1cc(C[N@H+](C)C2(C[NH3+])CCC2)c(=O)n(C)c1=O ZINC000567871174 354801815 /nfs/dbraw/zinc/80/18/15/354801815.db2.gz WEKVTHXPMKDECO-UHFFFAOYSA-N 2 2 266.345 -0.603 20 0 CBADLP Cn1cc(C[N@@H+](C)C2(C[NH3+])CCC2)c(=O)n(C)c1=O ZINC000567871174 354801817 /nfs/dbraw/zinc/80/18/17/354801817.db2.gz WEKVTHXPMKDECO-UHFFFAOYSA-N 2 2 266.345 -0.603 20 0 CBADLP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCCn1cc[nH+]c1 ZINC000567880894 354802517 /nfs/dbraw/zinc/80/25/17/354802517.db2.gz PCNXNGSTWOLPJH-ZJUUUORDSA-N 2 2 267.333 -0.759 20 0 CBADLP Cn1ccc(N2CCC[C@@H]([N@H+](C)C[C@@H](O)C[NH3+])C2=O)n1 ZINC000567990351 354808028 /nfs/dbraw/zinc/80/80/28/354808028.db2.gz VTQTZNCSPNXBMT-WDEREUQCSA-N 2 2 281.360 -0.833 20 0 CBADLP Cn1ccc(N2CCC[C@@H]([N@@H+](C)C[C@@H](O)C[NH3+])C2=O)n1 ZINC000567990351 354808032 /nfs/dbraw/zinc/80/80/32/354808032.db2.gz VTQTZNCSPNXBMT-WDEREUQCSA-N 2 2 281.360 -0.833 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1CS(=O)(=O)NC ZINC000568164965 354812258 /nfs/dbraw/zinc/81/22/58/354812258.db2.gz DVWBUIJTXQJTMJ-VXGBXAGGSA-N 2 2 293.433 -0.687 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1CS(=O)(=O)NC ZINC000568164965 354812262 /nfs/dbraw/zinc/81/22/62/354812262.db2.gz DVWBUIJTXQJTMJ-VXGBXAGGSA-N 2 2 293.433 -0.687 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H]1CS(=O)(=O)NC ZINC000568164965 354812263 /nfs/dbraw/zinc/81/22/63/354812263.db2.gz DVWBUIJTXQJTMJ-VXGBXAGGSA-N 2 2 293.433 -0.687 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H]1CS(=O)(=O)NC ZINC000568164965 354812266 /nfs/dbraw/zinc/81/22/66/354812266.db2.gz DVWBUIJTXQJTMJ-VXGBXAGGSA-N 2 2 293.433 -0.687 20 0 CBADLP CN(Cc1c[nH+]c[nH]1)C(=O)NCCCN1CC[NH2+]CC1 ZINC000568287819 354820192 /nfs/dbraw/zinc/82/01/92/354820192.db2.gz LGEYDNQDQMRQMC-UHFFFAOYSA-N 2 2 280.376 -0.154 20 0 CBADLP CN(Cc1c[nH]c[nH+]1)C(=O)NCCCN1CC[NH2+]CC1 ZINC000568287819 354820195 /nfs/dbraw/zinc/82/01/95/354820195.db2.gz LGEYDNQDQMRQMC-UHFFFAOYSA-N 2 2 280.376 -0.154 20 0 CBADLP CN(C)c1ccc(CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)c[nH+]1 ZINC000568292892 354820580 /nfs/dbraw/zinc/82/05/80/354820580.db2.gz YSXSHNLRYUCXBT-NSHDSACASA-N 2 2 291.355 -0.758 20 0 CBADLP O=C(NCC[NH+]1CCOCC1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000568371080 354821489 /nfs/dbraw/zinc/82/14/89/354821489.db2.gz ZMLRQEAUJALKPP-CYBMUJFWSA-N 2 2 282.388 -0.146 20 0 CBADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)[C@H](C)[NH3+])CC1 ZINC000568867208 354834056 /nfs/dbraw/zinc/83/40/56/354834056.db2.gz PAYRTEMBKFZXMY-NEPJUHHUSA-N 2 2 284.404 -0.360 20 0 CBADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C)[C@H](C)[NH3+])CC1 ZINC000568867208 354834060 /nfs/dbraw/zinc/83/40/60/354834060.db2.gz PAYRTEMBKFZXMY-NEPJUHHUSA-N 2 2 284.404 -0.360 20 0 CBADLP CCN1C[C@H]([NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC1=O ZINC000567640481 354792888 /nfs/dbraw/zinc/79/28/88/354792888.db2.gz MHFSNCRCOIQSLF-MBNYWOFBSA-N 2 2 267.373 -0.036 20 0 CBADLP CO[C@@H](C)[C@@H](C)NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000567716206 354794584 /nfs/dbraw/zinc/79/45/84/354794584.db2.gz WIHLSTWFAFFEOV-OUAUKWLOSA-N 2 2 258.366 -0.306 20 0 CBADLP CO[C@@H](C)[C@@H](C)NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000567716206 354794587 /nfs/dbraw/zinc/79/45/87/354794587.db2.gz WIHLSTWFAFFEOV-OUAUKWLOSA-N 2 2 258.366 -0.306 20 0 CBADLP CCCCN(C)CC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000570676723 354867142 /nfs/dbraw/zinc/86/71/42/354867142.db2.gz VZTRHJBIWZVQRR-HNNXBMFYSA-N 2 2 286.464 -0.084 20 0 CBADLP Cn1cc(C[C@@H](CO)[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)cn1 ZINC000570803385 354869797 /nfs/dbraw/zinc/86/97/97/354869797.db2.gz QMPGCQHSECWZAI-GXTWGEPZSA-N 2 2 282.388 -0.632 20 0 CBADLP Cn1cc(C[C@@H](CO)[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)cn1 ZINC000570803385 354869800 /nfs/dbraw/zinc/86/98/00/354869800.db2.gz QMPGCQHSECWZAI-GXTWGEPZSA-N 2 2 282.388 -0.632 20 0 CBADLP COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)C[NH3+])C1 ZINC000570839830 354871003 /nfs/dbraw/zinc/87/10/03/354871003.db2.gz OZJJGYYASWBBRY-LLVKDONJSA-N 2 2 285.388 -0.028 20 0 CBADLP COC(=O)C[N@H+]1CCC[C@H](CNC(=O)C(C)(C)C[NH3+])C1 ZINC000570839830 354871005 /nfs/dbraw/zinc/87/10/05/354871005.db2.gz OZJJGYYASWBBRY-LLVKDONJSA-N 2 2 285.388 -0.028 20 0 CBADLP COC(=O)C[C@@H]1C[N@H+](CCC(=O)N2CC[NH2+]CC2)CCO1 ZINC000570964334 354873992 /nfs/dbraw/zinc/87/39/92/354873992.db2.gz NTVGVHOJOWARAA-GFCCVEGCSA-N 2 2 299.371 -0.928 20 0 CBADLP COC(=O)C[C@@H]1C[N@@H+](CCC(=O)N2CC[NH2+]CC2)CCO1 ZINC000570964334 354873997 /nfs/dbraw/zinc/87/39/97/354873997.db2.gz NTVGVHOJOWARAA-GFCCVEGCSA-N 2 2 299.371 -0.928 20 0 CBADLP COC(=O)C[C@H]1C[N@H+](CCC(=O)N2CC[NH2+]CC2)CCO1 ZINC000570964335 354874625 /nfs/dbraw/zinc/87/46/25/354874625.db2.gz NTVGVHOJOWARAA-LBPRGKRZSA-N 2 2 299.371 -0.928 20 0 CBADLP COC(=O)C[C@H]1C[N@@H+](CCC(=O)N2CC[NH2+]CC2)CCO1 ZINC000570964335 354874627 /nfs/dbraw/zinc/87/46/27/354874627.db2.gz NTVGVHOJOWARAA-LBPRGKRZSA-N 2 2 299.371 -0.928 20 0 CBADLP C[C@@H]1CN(C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])C[C@@]1(C)C[NH3+] ZINC000571062861 354875851 /nfs/dbraw/zinc/87/58/51/354875851.db2.gz ABKAURJWWXKMKY-MBNYWOFBSA-N 3 2 283.420 -0.402 20 0 CBADLP C[C@@H]1CN(C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])C[C@@]1(C)C[NH3+] ZINC000571062861 354875855 /nfs/dbraw/zinc/87/58/55/354875855.db2.gz ABKAURJWWXKMKY-MBNYWOFBSA-N 3 2 283.420 -0.402 20 0 CBADLP [NH3+][C@H]1C[C@@H]2CN(C(=O)c3ccc4[nH+]ccn4c3)CCN2C1=O ZINC000568901549 354834956 /nfs/dbraw/zinc/83/49/56/354834956.db2.gz AOYJINNKLWXXEX-NEPJUHHUSA-N 2 2 299.334 -0.282 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000568988407 354836246 /nfs/dbraw/zinc/83/62/46/354836246.db2.gz SCXYKWNVTDFHIQ-GHMZBOCLSA-N 2 2 272.393 -0.315 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000568988407 354836249 /nfs/dbraw/zinc/83/62/49/354836249.db2.gz SCXYKWNVTDFHIQ-GHMZBOCLSA-N 2 2 272.393 -0.315 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000568988410 354836446 /nfs/dbraw/zinc/83/64/46/354836446.db2.gz SCXYKWNVTDFHIQ-WDEREUQCSA-N 2 2 272.393 -0.315 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000568988410 354836449 /nfs/dbraw/zinc/83/64/49/354836449.db2.gz SCXYKWNVTDFHIQ-WDEREUQCSA-N 2 2 272.393 -0.315 20 0 CBADLP Cn1c(C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cccc1=O ZINC000569117605 354839368 /nfs/dbraw/zinc/83/93/68/354839368.db2.gz MYBQOEAGHAWUKZ-SNVBAGLBSA-N 2 2 264.329 -0.900 20 0 CBADLP Cn1c(C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cccc1=O ZINC000569117605 354839370 /nfs/dbraw/zinc/83/93/70/354839370.db2.gz MYBQOEAGHAWUKZ-SNVBAGLBSA-N 2 2 264.329 -0.900 20 0 CBADLP CCS(=O)(=O)NCCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000569971702 354851363 /nfs/dbraw/zinc/85/13/63/354851363.db2.gz DEDOFTMSPKDXFJ-NEPJUHHUSA-N 2 2 275.418 0.000 20 0 CBADLP CCS(=O)(=O)NCCC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000569971702 354851367 /nfs/dbraw/zinc/85/13/67/354851367.db2.gz DEDOFTMSPKDXFJ-NEPJUHHUSA-N 2 2 275.418 0.000 20 0 CBADLP COC(=O)C[C@H]([NH3+])C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000570040385 354852536 /nfs/dbraw/zinc/85/25/36/354852536.db2.gz PPYIUKNZSNTIHF-ZETCQYMHSA-N 2 2 298.368 -0.040 20 0 CBADLP COC(=O)C[C@H]([NH3+])C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000570040385 354852541 /nfs/dbraw/zinc/85/25/41/354852541.db2.gz PPYIUKNZSNTIHF-ZETCQYMHSA-N 2 2 298.368 -0.040 20 0 CBADLP C[C@@H]1C[C@H](NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])CO1 ZINC000570088619 354853550 /nfs/dbraw/zinc/85/35/50/354853550.db2.gz HYPOFRQDRBXGAY-OUAUKWLOSA-N 2 2 256.350 -0.552 20 0 CBADLP C[C@@H]1C[C@H](NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])CO1 ZINC000570088619 354853552 /nfs/dbraw/zinc/85/35/52/354853552.db2.gz HYPOFRQDRBXGAY-OUAUKWLOSA-N 2 2 256.350 -0.552 20 0 CBADLP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CC[NH+](C)C[C@@H]1C[NH3+] ZINC000570147394 354855530 /nfs/dbraw/zinc/85/55/30/354855530.db2.gz XFBDFNOQEFRYBC-STQMWFEESA-N 3 2 285.436 -0.001 20 0 CBADLP CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CC[NH+](C)C[C@@H]1C[NH3+] ZINC000570147394 354855533 /nfs/dbraw/zinc/85/55/33/354855533.db2.gz XFBDFNOQEFRYBC-STQMWFEESA-N 3 2 285.436 -0.001 20 0 CBADLP CC(C)[NH+](C)C[C@H](C)NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000570147394 354855536 /nfs/dbraw/zinc/85/55/36/354855536.db2.gz XFBDFNOQEFRYBC-STQMWFEESA-N 3 2 285.436 -0.001 20 0 CBADLP CC(C)[NH+](C)C[C@H](C)NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000570147394 354855539 /nfs/dbraw/zinc/85/55/39/354855539.db2.gz XFBDFNOQEFRYBC-STQMWFEESA-N 3 2 285.436 -0.001 20 0 CBADLP CCN(CC)C(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000570175972 354856936 /nfs/dbraw/zinc/85/69/36/354856936.db2.gz ICTRVSRNMYYYMG-GHMZBOCLSA-N 2 2 268.361 -0.901 20 0 CBADLP CCN(CC)C(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000570175972 354856938 /nfs/dbraw/zinc/85/69/38/354856938.db2.gz ICTRVSRNMYYYMG-GHMZBOCLSA-N 2 2 268.361 -0.901 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000571762784 354879113 /nfs/dbraw/zinc/87/91/13/354879113.db2.gz MKADSGUPPLFQNW-GHMZBOCLSA-N 2 2 268.361 -0.854 20 0 CBADLP CC[C@H](C(N)=O)[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000571762784 354879116 /nfs/dbraw/zinc/87/91/16/354879116.db2.gz MKADSGUPPLFQNW-GHMZBOCLSA-N 2 2 268.361 -0.854 20 0 CBADLP C[C@H](NC(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2)C(=O)N(C)C ZINC000570570949 354864806 /nfs/dbraw/zinc/86/48/06/354864806.db2.gz VIEZMDSMYOFKDI-SWLSCSKDSA-N 2 2 296.415 -0.345 20 0 CBADLP C[C@H](NC(=O)C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)C(=O)N(C)C ZINC000570570949 354864807 /nfs/dbraw/zinc/86/48/07/354864807.db2.gz VIEZMDSMYOFKDI-SWLSCSKDSA-N 2 2 296.415 -0.345 20 0 CBADLP C[N@@H+]1CCN(C(=O)CC[C@H]2CC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000570568703 354864995 /nfs/dbraw/zinc/86/49/95/354864995.db2.gz DWTTZWXEWQXIGO-NWDGAFQWSA-N 3 2 254.378 -0.523 20 0 CBADLP C[N@H+]1CCN(C(=O)CC[C@H]2CC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000570568703 354864998 /nfs/dbraw/zinc/86/49/98/354864998.db2.gz DWTTZWXEWQXIGO-NWDGAFQWSA-N 3 2 254.378 -0.523 20 0 CBADLP Cc1cc(CC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])n(C)n1 ZINC000572286867 354890018 /nfs/dbraw/zinc/89/00/18/354890018.db2.gz IJPUZINSWPBZQW-LBPRGKRZSA-N 2 2 265.361 -0.628 20 0 CBADLP Cc1cc(CC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])n(C)n1 ZINC000572286867 354890022 /nfs/dbraw/zinc/89/00/22/354890022.db2.gz IJPUZINSWPBZQW-LBPRGKRZSA-N 2 2 265.361 -0.628 20 0 CBADLP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)Cn2cc[nH+]c2)C1 ZINC000572691516 354894803 /nfs/dbraw/zinc/89/48/03/354894803.db2.gz YIBAQEKKIKICFO-GFCCVEGCSA-N 2 2 293.371 -0.413 20 0 CBADLP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)Cn2cc[nH+]c2)C1 ZINC000572691516 354894808 /nfs/dbraw/zinc/89/48/08/354894808.db2.gz YIBAQEKKIKICFO-GFCCVEGCSA-N 2 2 293.371 -0.413 20 0 CBADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000572749323 354896657 /nfs/dbraw/zinc/89/66/57/354896657.db2.gz UWLXICBIALVQQO-ZFWWWQNUSA-N 3 2 290.411 -0.034 20 0 CBADLP C[C@H]1CC[N@H+](CC(=O)N2CC[NH+](CCO)CC2)C1 ZINC000572897417 354899789 /nfs/dbraw/zinc/89/97/89/354899789.db2.gz KYAGVJBOEVUGQJ-LBPRGKRZSA-N 2 2 255.362 -0.535 20 0 CBADLP C[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](CCO)CC2)C1 ZINC000572897417 354899790 /nfs/dbraw/zinc/89/97/90/354899790.db2.gz KYAGVJBOEVUGQJ-LBPRGKRZSA-N 2 2 255.362 -0.535 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC(C(C)(C)O)C1 ZINC000573020518 354903507 /nfs/dbraw/zinc/90/35/07/354903507.db2.gz NWIJJWIPHFOCRF-GFCCVEGCSA-N 2 2 260.378 -0.372 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC(C(C)(C)O)C1 ZINC000573020518 354903510 /nfs/dbraw/zinc/90/35/10/354903510.db2.gz NWIJJWIPHFOCRF-GFCCVEGCSA-N 2 2 260.378 -0.372 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](c2cnn(C)c2)[C@H](CO)C1 ZINC000573132609 354905759 /nfs/dbraw/zinc/90/57/59/354905759.db2.gz DKWLXZJOVLCEOY-KKUMJFAQSA-N 2 2 296.415 -0.260 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](c2cnn(C)c2)[C@H](CO)C1 ZINC000573132609 354905763 /nfs/dbraw/zinc/90/57/63/354905763.db2.gz DKWLXZJOVLCEOY-KKUMJFAQSA-N 2 2 296.415 -0.260 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](c2cnn(C)c2)[C@H](CO)C1 ZINC000573132609 354905764 /nfs/dbraw/zinc/90/57/64/354905764.db2.gz DKWLXZJOVLCEOY-KKUMJFAQSA-N 2 2 296.415 -0.260 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](c2cnn(C)c2)[C@H](CO)C1 ZINC000573132609 354905768 /nfs/dbraw/zinc/90/57/68/354905768.db2.gz DKWLXZJOVLCEOY-KKUMJFAQSA-N 2 2 296.415 -0.260 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@@H](C)CC[NH3+] ZINC000573605563 354916048 /nfs/dbraw/zinc/91/60/48/354916048.db2.gz GAPIHGUQMLZJEJ-JTQLQIEISA-N 2 2 258.366 -0.704 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@@H](C)CC[NH3+] ZINC000573605563 354916051 /nfs/dbraw/zinc/91/60/51/354916051.db2.gz GAPIHGUQMLZJEJ-JTQLQIEISA-N 2 2 258.366 -0.704 20 0 CBADLP COC(=O)C[C@H]([NH3+])C(=O)NCC[NH+]1CCSCC1 ZINC000571795302 354880999 /nfs/dbraw/zinc/88/09/99/354880999.db2.gz RWEIDQVAEDLJSW-VIFPVBQESA-N 2 2 275.374 -0.958 20 0 CBADLP Cn1cc(C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])ccc1=O ZINC000571880222 354882442 /nfs/dbraw/zinc/88/24/42/354882442.db2.gz ZREVDSNSSXNFSE-NSHDSACASA-N 2 2 264.329 -0.900 20 0 CBADLP [NH3+]CC1(O)CC[NH+](CC(=O)Nc2ccncc2)CC1 ZINC000573806566 354922417 /nfs/dbraw/zinc/92/24/17/354922417.db2.gz KNRMVZBQXSRTPC-UHFFFAOYSA-N 2 2 264.329 -0.772 20 0 CBADLP CO[C@@H]1CC[C@H](NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])C1 ZINC000574023980 354926162 /nfs/dbraw/zinc/92/61/62/354926162.db2.gz GYMMKMCEOMKMIW-SDDRHHMPSA-N 2 2 270.377 -0.162 20 0 CBADLP C[C@@H](C[NH2+]C[C@H](O)C[N@H+](C)C1CC1)C[NH+]1CCOCC1 ZINC000574191823 354930581 /nfs/dbraw/zinc/93/05/81/354930581.db2.gz IXMPADNZMJENTL-ZFWWWQNUSA-N 3 2 285.432 -0.001 20 0 CBADLP C[C@@H](C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1)C[NH+]1CCOCC1 ZINC000574191823 354930583 /nfs/dbraw/zinc/93/05/83/354930583.db2.gz IXMPADNZMJENTL-ZFWWWQNUSA-N 3 2 285.432 -0.001 20 0 CBADLP C[N@@H+]1CCN(C(=O)CCCNC(=O)C2CC2)[C@@H](C[NH3+])C1 ZINC000578648881 354951673 /nfs/dbraw/zinc/95/16/73/354951673.db2.gz PYLJDNIIYVBRGJ-LBPRGKRZSA-N 2 2 282.388 -0.606 20 0 CBADLP C[N@H+]1CCN(C(=O)CCCNC(=O)C2CC2)[C@@H](C[NH3+])C1 ZINC000578648881 354951679 /nfs/dbraw/zinc/95/16/79/354951679.db2.gz PYLJDNIIYVBRGJ-LBPRGKRZSA-N 2 2 282.388 -0.606 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)[C@@H]2CSC[NH2+]2)CCO1 ZINC000579357941 354968244 /nfs/dbraw/zinc/96/82/44/354968244.db2.gz FTGORTBVKDFMLI-UWVGGRQHSA-N 2 2 259.375 -0.514 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)[C@@H]2CSC[NH2+]2)CCO1 ZINC000579357941 354968247 /nfs/dbraw/zinc/96/82/47/354968247.db2.gz FTGORTBVKDFMLI-UWVGGRQHSA-N 2 2 259.375 -0.514 20 0 CBADLP COC(=O)[C@H]1CN(C(=O)[C@@H](C)[NH+]2CC(C)C2)CC[N@H+](C)C1 ZINC000579373017 354969258 /nfs/dbraw/zinc/96/92/58/354969258.db2.gz NWISGTYMIXYWHY-CHWSQXEVSA-N 2 2 297.399 -0.110 20 0 CBADLP COC(=O)[C@H]1CN(C(=O)[C@@H](C)[NH+]2CC(C)C2)CC[N@@H+](C)C1 ZINC000579373017 354969261 /nfs/dbraw/zinc/96/92/61/354969261.db2.gz NWISGTYMIXYWHY-CHWSQXEVSA-N 2 2 297.399 -0.110 20 0 CBADLP COC(=O)CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000579370546 354969285 /nfs/dbraw/zinc/96/92/85/354969285.db2.gz LQVCYFSWWIFOPM-GHMZBOCLSA-N 2 2 294.355 -0.113 20 0 CBADLP COC(=O)CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000579370546 354969289 /nfs/dbraw/zinc/96/92/89/354969289.db2.gz LQVCYFSWWIFOPM-GHMZBOCLSA-N 2 2 294.355 -0.113 20 0 CBADLP CC[NH+]1CCN(CCNC(=O)Cn2cc[nH+]c2)CC1 ZINC000579421218 354970651 /nfs/dbraw/zinc/97/06/51/354970651.db2.gz JHRMTMGUMMFNHF-UHFFFAOYSA-N 2 2 265.361 -0.363 20 0 CBADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+][C@H]2[C@@H]3COC[C@@H]32)C[C@H](C)O1 ZINC000579704412 354976976 /nfs/dbraw/zinc/97/69/76/354976976.db2.gz SZZKRUVMJLQTHW-FDFVQJQPSA-N 2 2 270.373 -0.309 20 0 CBADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+][C@H]2[C@@H]3COC[C@@H]32)C[C@H](C)O1 ZINC000579704412 354976979 /nfs/dbraw/zinc/97/69/79/354976979.db2.gz SZZKRUVMJLQTHW-FDFVQJQPSA-N 2 2 270.373 -0.309 20 0 CBADLP C[NH2+][C@@H](C)C(=O)N1CC[N@H+](CCC(=O)OC)C[C@H]1C ZINC000579978474 354986037 /nfs/dbraw/zinc/98/60/37/354986037.db2.gz VEUREXRDPINHPO-MNOVXSKESA-N 2 2 271.361 -0.310 20 0 CBADLP C[NH2+][C@@H](C)C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@H]1C ZINC000579978474 354986041 /nfs/dbraw/zinc/98/60/41/354986041.db2.gz VEUREXRDPINHPO-MNOVXSKESA-N 2 2 271.361 -0.310 20 0 CBADLP C[NH2+][C@@H](C)C(=O)N1CC[N@H+](CCC(=O)OC)C[C@@H]1C ZINC000579978475 354986355 /nfs/dbraw/zinc/98/63/55/354986355.db2.gz VEUREXRDPINHPO-QWRGUYRKSA-N 2 2 271.361 -0.310 20 0 CBADLP C[NH2+][C@@H](C)C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@@H]1C ZINC000579978475 354986356 /nfs/dbraw/zinc/98/63/56/354986356.db2.gz VEUREXRDPINHPO-QWRGUYRKSA-N 2 2 271.361 -0.310 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@@H]2COC[C@H]2OC)CC1 ZINC000580071184 354986806 /nfs/dbraw/zinc/98/68/06/354986806.db2.gz OWGQMKJMDZRCHB-JHJVBQTASA-N 2 2 285.388 -0.458 20 0 CBADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CC[NH+]3CCCC[C@@H]23)[C@H](C[NH3+])C1 ZINC000580299703 354991479 /nfs/dbraw/zinc/99/14/79/354991479.db2.gz DHRGMMDAFRKWAC-MCIONIFRSA-N 3 2 295.431 -0.103 20 0 CBADLP C[N@H+]1CCN(C(=O)N[C@@H]2CC[NH+]3CCCC[C@@H]23)[C@H](C[NH3+])C1 ZINC000580299703 354991487 /nfs/dbraw/zinc/99/14/87/354991487.db2.gz DHRGMMDAFRKWAC-MCIONIFRSA-N 3 2 295.431 -0.103 20 0 CBADLP C[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)[C@H](C[NH3+])C1 ZINC000580299703 354991491 /nfs/dbraw/zinc/99/14/91/354991491.db2.gz DHRGMMDAFRKWAC-MCIONIFRSA-N 3 2 295.431 -0.103 20 0 CBADLP C[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)[C@H](C[NH3+])C1 ZINC000580299703 354991497 /nfs/dbraw/zinc/99/14/97/354991497.db2.gz DHRGMMDAFRKWAC-MCIONIFRSA-N 3 2 295.431 -0.103 20 0 CBADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)[C@H](C[NH3+])C1 ZINC000580299704 354991817 /nfs/dbraw/zinc/99/18/17/354991817.db2.gz DHRGMMDAFRKWAC-MGPQQGTHSA-N 3 2 295.431 -0.103 20 0 CBADLP C[N@H+]1CCN(C(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)[C@H](C[NH3+])C1 ZINC000580299704 354991819 /nfs/dbraw/zinc/99/18/19/354991819.db2.gz DHRGMMDAFRKWAC-MGPQQGTHSA-N 3 2 295.431 -0.103 20 0 CBADLP C[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)[C@H](C[NH3+])C1 ZINC000580299704 354991821 /nfs/dbraw/zinc/99/18/21/354991821.db2.gz DHRGMMDAFRKWAC-MGPQQGTHSA-N 3 2 295.431 -0.103 20 0 CBADLP C[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)[C@H](C[NH3+])C1 ZINC000580299704 354991824 /nfs/dbraw/zinc/99/18/24/354991824.db2.gz DHRGMMDAFRKWAC-MGPQQGTHSA-N 3 2 295.431 -0.103 20 0 CBADLP [NH3+]C[C@@H]1C[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CCCO1 ZINC000580312573 354992658 /nfs/dbraw/zinc/99/26/58/354992658.db2.gz ZQCAEEKZHGYCHF-PMPSAXMXSA-N 3 2 293.411 -0.033 20 0 CBADLP [NH3+]C[C@@H]1C[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CCCO1 ZINC000580312573 354992661 /nfs/dbraw/zinc/99/26/61/354992661.db2.gz ZQCAEEKZHGYCHF-PMPSAXMXSA-N 3 2 293.411 -0.033 20 0 CBADLP CC(C)([NH3+])C[N@@H+]1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000580326653 354993335 /nfs/dbraw/zinc/99/33/35/354993335.db2.gz WOCWGOOQLASNGB-QWHCGFSZSA-N 3 2 295.431 -0.056 20 0 CBADLP CC(C)([NH3+])C[N@H+]1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000580326653 354993339 /nfs/dbraw/zinc/99/33/39/354993339.db2.gz WOCWGOOQLASNGB-QWHCGFSZSA-N 3 2 295.431 -0.056 20 0 CBADLP Cc1cc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)on1 ZINC000580347285 354994571 /nfs/dbraw/zinc/99/45/71/354994571.db2.gz QVECRJYSHFKHMT-ONGXEEELSA-N 2 2 250.302 -0.273 20 0 CBADLP Cc1cc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)on1 ZINC000580347285 354994572 /nfs/dbraw/zinc/99/45/72/354994572.db2.gz QVECRJYSHFKHMT-ONGXEEELSA-N 2 2 250.302 -0.273 20 0 CBADLP CO[C@H](C[NH3+])C(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1 ZINC000580832707 355000070 /nfs/dbraw/zinc/00/00/70/355000070.db2.gz VKBTXPBHDXBMRZ-GHMZBOCLSA-N 2 2 281.360 -0.791 20 0 CBADLP CNC(=O)CCC[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000580900512 355000862 /nfs/dbraw/zinc/00/08/62/355000862.db2.gz MJCUSXXSYJUBCT-UHFFFAOYSA-N 2 2 270.377 -0.782 20 0 CBADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CC[NH+](C3CC3)C2)[C@@H](C[NH3+])C1 ZINC000584519395 355031379 /nfs/dbraw/zinc/03/13/79/355031379.db2.gz HMVKFYNNQVCAMP-YPMHNXCESA-N 3 2 281.404 -0.493 20 0 CBADLP C[N@H+]1CCN(C(=O)N[C@@H]2CC[NH+](C3CC3)C2)[C@@H](C[NH3+])C1 ZINC000584519395 355031381 /nfs/dbraw/zinc/03/13/81/355031381.db2.gz HMVKFYNNQVCAMP-YPMHNXCESA-N 3 2 281.404 -0.493 20 0 CBADLP C[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)[C@@H](C[NH3+])C1 ZINC000584519395 355031383 /nfs/dbraw/zinc/03/13/83/355031383.db2.gz HMVKFYNNQVCAMP-YPMHNXCESA-N 3 2 281.404 -0.493 20 0 CBADLP C[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)[C@@H](C[NH3+])C1 ZINC000584519395 355031385 /nfs/dbraw/zinc/03/13/85/355031385.db2.gz HMVKFYNNQVCAMP-YPMHNXCESA-N 3 2 281.404 -0.493 20 0 CBADLP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000584837798 355040136 /nfs/dbraw/zinc/04/01/36/355040136.db2.gz JYYNAZCVDPNZJE-WDEREUQCSA-N 2 2 282.388 -0.608 20 0 CBADLP CCC(C)(C)NC(=O)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000584849759 355040820 /nfs/dbraw/zinc/04/08/20/355040820.db2.gz LEZBIIJLTZKFIW-MNOVXSKESA-N 2 2 282.388 -0.465 20 0 CBADLP CCC(C)(C)NC(=O)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000584849759 355040822 /nfs/dbraw/zinc/04/08/22/355040822.db2.gz LEZBIIJLTZKFIW-MNOVXSKESA-N 2 2 282.388 -0.465 20 0 CBADLP C[NH2+][C@@H](C(=O)NCC[N@@H+]1CCO[C@@H](C)C1)c1cnn(C)c1 ZINC000582065508 355007121 /nfs/dbraw/zinc/00/71/21/355007121.db2.gz QVGDDDRYFBHPCP-WCQYABFASA-N 2 2 295.387 -0.483 20 0 CBADLP C[NH2+][C@@H](C(=O)NCC[N@H+]1CCO[C@@H](C)C1)c1cnn(C)c1 ZINC000582065508 355007126 /nfs/dbraw/zinc/00/71/26/355007126.db2.gz QVGDDDRYFBHPCP-WCQYABFASA-N 2 2 295.387 -0.483 20 0 CBADLP C[C@H](NC(=O)CCc1[nH]cc[nH+]1)C(=O)NCC[NH+](C)C ZINC000582072267 355007364 /nfs/dbraw/zinc/00/73/64/355007364.db2.gz RPJBXJGGQSHKLO-JTQLQIEISA-N 2 2 281.360 -0.475 20 0 CBADLP C[N@H+](C[C@@H](O)C[NH2+]C[C@H]1CCCCS1(=O)=O)C1CC1 ZINC000582117720 355008314 /nfs/dbraw/zinc/00/83/14/355008314.db2.gz CXNUJDMKRBXPKE-QWHCGFSZSA-N 2 2 290.429 -0.002 20 0 CBADLP C[N@@H+](C[C@@H](O)C[NH2+]C[C@H]1CCCCS1(=O)=O)C1CC1 ZINC000582117720 355008317 /nfs/dbraw/zinc/00/83/17/355008317.db2.gz CXNUJDMKRBXPKE-QWHCGFSZSA-N 2 2 290.429 -0.002 20 0 CBADLP CCCN(CCC)C(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000582370908 355015011 /nfs/dbraw/zinc/01/50/11/355015011.db2.gz DCAXPGOSYOLKMA-QWHCGFSZSA-N 2 2 296.415 -0.121 20 0 CBADLP CCCN(CCC)C(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000582370908 355015013 /nfs/dbraw/zinc/01/50/13/355015013.db2.gz DCAXPGOSYOLKMA-QWHCGFSZSA-N 2 2 296.415 -0.121 20 0 CBADLP [NH3+][C@@H]1C[C@H]2CN(c3cc(NC4CC4)[nH+]cn3)CCN2C1=O ZINC000582371344 355016240 /nfs/dbraw/zinc/01/62/40/355016240.db2.gz WCKZIKYEWBPUEK-WDEREUQCSA-N 2 2 288.355 -0.201 20 0 CBADLP [NH3+][C@@H]1C[C@H]2CN(c3cc(NC4CC4)nc[nH+]3)CCN2C1=O ZINC000582371344 355016243 /nfs/dbraw/zinc/01/62/43/355016243.db2.gz WCKZIKYEWBPUEK-WDEREUQCSA-N 2 2 288.355 -0.201 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000583563314 355020364 /nfs/dbraw/zinc/02/03/64/355020364.db2.gz OVVRYVPZZFHXSN-WCQYABFASA-N 2 2 282.388 -0.735 20 0 CBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C[NH+]1CC(C)(C)C1 ZINC000583943603 355024900 /nfs/dbraw/zinc/02/49/00/355024900.db2.gz OOGGYACDKNGLGB-ZDUSSCGKSA-N 2 2 299.415 -0.520 20 0 CBADLP O=C(C[NH+]1CCN(c2[nH]cc[nH+]2)CC1)NC[C@H]1CCCO1 ZINC000583942127 355025551 /nfs/dbraw/zinc/02/55/51/355025551.db2.gz BBHDJDRIBBWPPP-GFCCVEGCSA-N 2 2 293.371 -0.173 20 0 CBADLP NC(=O)NC(=O)C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000585716931 355049130 /nfs/dbraw/zinc/04/91/30/355049130.db2.gz FUDHYJUWPSGQSG-NSHDSACASA-N 2 2 284.360 -0.632 20 0 CBADLP NC(=O)NC(=O)C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000585716931 355049131 /nfs/dbraw/zinc/04/91/31/355049131.db2.gz FUDHYJUWPSGQSG-NSHDSACASA-N 2 2 284.360 -0.632 20 0 CBADLP COC(=O)[C@@H](NC(=O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)C(C)C ZINC000589252284 355066632 /nfs/dbraw/zinc/06/66/32/355066632.db2.gz WBNNTDXIBAHCCM-WZRBSPASSA-N 2 2 283.372 -0.549 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC000591460621 355096145 /nfs/dbraw/zinc/09/61/45/355096145.db2.gz UAXPABLQZMGRAU-NEPJUHHUSA-N 2 2 255.362 -0.225 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC000591460621 355096148 /nfs/dbraw/zinc/09/61/48/355096148.db2.gz UAXPABLQZMGRAU-NEPJUHHUSA-N 2 2 255.362 -0.225 20 0 CBADLP C[C@@H]1COCC[NH+]1CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000591460621 355096152 /nfs/dbraw/zinc/09/61/52/355096152.db2.gz UAXPABLQZMGRAU-NEPJUHHUSA-N 2 2 255.362 -0.225 20 0 CBADLP C[C@@H]1COCC[NH+]1CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000591460621 355096156 /nfs/dbraw/zinc/09/61/56/355096156.db2.gz UAXPABLQZMGRAU-NEPJUHHUSA-N 2 2 255.362 -0.225 20 0 CBADLP CCOC(=O)c1cc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)[nH]n1 ZINC000592506907 355159277 /nfs/dbraw/zinc/15/92/77/355159277.db2.gz SKCWZAIWBBNPCC-ZDUSSCGKSA-N 2 2 282.344 -0.257 20 0 CBADLP CCOC(=O)c1cc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)[nH]n1 ZINC000592506907 355159280 /nfs/dbraw/zinc/15/92/80/355159280.db2.gz SKCWZAIWBBNPCC-ZDUSSCGKSA-N 2 2 282.344 -0.257 20 0 CBADLP COC(=O)CCNC(=O)C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000592471285 355155271 /nfs/dbraw/zinc/15/52/71/355155271.db2.gz QJUSNFWSXWJSCP-UHFFFAOYSA-N 2 2 283.372 -0.118 20 0 CBADLP COC(=O)CCNC(=O)C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000592471285 355155276 /nfs/dbraw/zinc/15/52/76/355155276.db2.gz QJUSNFWSXWJSCP-UHFFFAOYSA-N 2 2 283.372 -0.118 20 0 CBADLP COC[C@H](C)NC(=O)NC(=O)C[NH+]1CCC(C)([NH3+])CC1 ZINC000592484405 355156074 /nfs/dbraw/zinc/15/60/74/355156074.db2.gz AWUALMHPOOBXGW-JTQLQIEISA-N 2 2 286.376 -0.340 20 0 CBADLP COC(=O)CN(C)C(=O)CC[N@@H+]1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000592475249 355156565 /nfs/dbraw/zinc/15/65/65/355156565.db2.gz FKHRJKMKPHBXGE-QWRGUYRKSA-N 2 2 287.360 -0.944 20 0 CBADLP COC(=O)CN(C)C(=O)CC[N@H+]1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000592475249 355156568 /nfs/dbraw/zinc/15/65/68/355156568.db2.gz FKHRJKMKPHBXGE-QWRGUYRKSA-N 2 2 287.360 -0.944 20 0 CBADLP CC[C@@H]1C[N@H+](CC(=O)NCCC(=O)OC)CC[C@@H]1[NH3+] ZINC000592487929 355157365 /nfs/dbraw/zinc/15/73/65/355157365.db2.gz CSSAOAWOYNPTHW-MNOVXSKESA-N 2 2 271.361 -0.275 20 0 CBADLP CC[C@@H]1C[N@@H+](CC(=O)NCCC(=O)OC)CC[C@@H]1[NH3+] ZINC000592487929 355157368 /nfs/dbraw/zinc/15/73/68/355157368.db2.gz CSSAOAWOYNPTHW-MNOVXSKESA-N 2 2 271.361 -0.275 20 0 CBADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2C[C@@H]3C[C@H]2C[S@]3=O)CC1 ZINC000593096902 355193920 /nfs/dbraw/zinc/19/39/20/355193920.db2.gz XZVNKQILPSHABZ-KQHSUYLTSA-N 2 2 299.440 -0.208 20 0 CBADLP CC[NH+]1CCC(NC(=O)C[N@H+]2C[C@@H]3C[C@H]2C[S@]3=O)CC1 ZINC000593096902 355193923 /nfs/dbraw/zinc/19/39/23/355193923.db2.gz XZVNKQILPSHABZ-KQHSUYLTSA-N 2 2 299.440 -0.208 20 0 CBADLP COC(=O)[C@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C(C)(C)C ZINC000593904035 355225819 /nfs/dbraw/zinc/22/58/19/355225819.db2.gz QEGMCIDPAUAGAI-UWVGGRQHSA-N 2 2 273.377 -0.031 20 0 CBADLP CC(C)OC(=O)CCNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000593902193 355226236 /nfs/dbraw/zinc/22/62/36/355226236.db2.gz OIAASMYBUIZKGB-JTQLQIEISA-N 2 2 259.350 -0.277 20 0 CBADLP COC(=O)C1(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)CCCC1 ZINC000593901266 355226533 /nfs/dbraw/zinc/22/65/33/355226533.db2.gz DJNFCQFEAAKOHJ-JTQLQIEISA-N 2 2 271.361 -0.133 20 0 CBADLP CCOC(=O)CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C1CC1 ZINC000593907160 355227343 /nfs/dbraw/zinc/22/73/43/355227343.db2.gz NHUUCUAERRLUSC-NSHDSACASA-N 2 2 271.361 -0.181 20 0 CBADLP COC(=O)[C@@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C1CC1 ZINC000593908590 355228007 /nfs/dbraw/zinc/22/80/07/355228007.db2.gz AXGMUXWOMKWKLN-UWVGGRQHSA-N 2 2 257.334 -0.667 20 0 CBADLP CCOC(=O)C[C@H](C)CNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000593910454 355228233 /nfs/dbraw/zinc/22/82/33/355228233.db2.gz KFQHFXRGOUFUCB-WDEREUQCSA-N 2 2 273.377 -0.029 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@]1(CC(=O)OC)CCOC1 ZINC000593972663 355232118 /nfs/dbraw/zinc/23/21/18/355232118.db2.gz AGEJHTAYPXEHIC-WCQYABFASA-N 2 2 274.361 -0.389 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@]1(CC(=O)OC)CCOC1 ZINC000593972663 355232120 /nfs/dbraw/zinc/23/21/20/355232120.db2.gz AGEJHTAYPXEHIC-WCQYABFASA-N 2 2 274.361 -0.389 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](C(=O)OC)[C@@H]1C ZINC000593974079 355232467 /nfs/dbraw/zinc/23/24/67/355232467.db2.gz RYTBWCQISFYZRS-AVGNSLFASA-N 2 2 288.388 -0.191 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](C(=O)OC)[C@@H]1C ZINC000593974079 355232471 /nfs/dbraw/zinc/23/24/71/355232471.db2.gz RYTBWCQISFYZRS-AVGNSLFASA-N 2 2 288.388 -0.191 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](C(=O)OC)[C@@H]1C ZINC000593974079 355232474 /nfs/dbraw/zinc/23/24/74/355232474.db2.gz RYTBWCQISFYZRS-AVGNSLFASA-N 2 2 288.388 -0.191 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](C(=O)OC)[C@@H]1C ZINC000593974079 355232477 /nfs/dbraw/zinc/23/24/77/355232477.db2.gz RYTBWCQISFYZRS-AVGNSLFASA-N 2 2 288.388 -0.191 20 0 CBADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](Cc3cnc4cnccn34)CCN2C1=O ZINC000594736360 355258920 /nfs/dbraw/zinc/25/89/20/355258920.db2.gz CYITYQUHRGYRJT-ZYHUDNBSSA-N 2 2 286.339 -0.527 20 0 CBADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](Cc3cnc4cnccn34)CCN2C1=O ZINC000594736360 355258923 /nfs/dbraw/zinc/25/89/23/355258923.db2.gz CYITYQUHRGYRJT-ZYHUDNBSSA-N 2 2 286.339 -0.527 20 0 CBADLP [NH3+][C@@H]1C[C@H]2C[N@H+](Cc3cnc4cnccn34)CCN2C1=O ZINC000594736357 355259526 /nfs/dbraw/zinc/25/95/26/355259526.db2.gz CYITYQUHRGYRJT-CMPLNLGQSA-N 2 2 286.339 -0.527 20 0 CBADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](Cc3cnc4cnccn34)CCN2C1=O ZINC000594736357 355259528 /nfs/dbraw/zinc/25/95/28/355259528.db2.gz CYITYQUHRGYRJT-CMPLNLGQSA-N 2 2 286.339 -0.527 20 0 CBADLP CC(C)OC(=O)CC[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000594876073 355265727 /nfs/dbraw/zinc/26/57/27/355265727.db2.gz BYYIXDGEWMFELO-GHMZBOCLSA-N 2 2 269.345 -0.428 20 0 CBADLP CC(C)OC(=O)CC[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000594876073 355265730 /nfs/dbraw/zinc/26/57/30/355265730.db2.gz BYYIXDGEWMFELO-GHMZBOCLSA-N 2 2 269.345 -0.428 20 0 CBADLP CC1CCN(C(=O)C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC1 ZINC000594874313 355265929 /nfs/dbraw/zinc/26/59/29/355265929.db2.gz VLOWMNUMBHGIDZ-OLZOCXBDSA-N 2 2 294.399 -0.511 20 0 CBADLP CC1CCN(C(=O)C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC1 ZINC000594874313 355265933 /nfs/dbraw/zinc/26/59/33/355265933.db2.gz VLOWMNUMBHGIDZ-OLZOCXBDSA-N 2 2 294.399 -0.511 20 0 CBADLP [NH3+][C@H]1C[C@@H]2C[N@H+](CC(=O)N3CCCCCC3)CCN2C1=O ZINC000594873955 355265956 /nfs/dbraw/zinc/26/59/56/355265956.db2.gz XFXRRYAXGRTSLM-OLZOCXBDSA-N 2 2 294.399 -0.367 20 0 CBADLP [NH3+][C@H]1C[C@@H]2C[N@@H+](CC(=O)N3CCCCCC3)CCN2C1=O ZINC000594873955 355265960 /nfs/dbraw/zinc/26/59/60/355265960.db2.gz XFXRRYAXGRTSLM-OLZOCXBDSA-N 2 2 294.399 -0.367 20 0 CBADLP [NH3+][C@@H]1C[C@H]2CN(c3cc(-n4cc[nH+]c4)ncn3)CCN2C1=O ZINC000594694177 355257491 /nfs/dbraw/zinc/25/74/91/355257491.db2.gz BFGMYYMBGIGDBE-WDEREUQCSA-N 2 2 299.338 -0.590 20 0 CBADLP COC(=O)[C@@H]1C[C@H](O)C[N@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000595565505 355295790 /nfs/dbraw/zinc/29/57/90/355295790.db2.gz FIPDFLDNJOWHCX-FRRDWIJNSA-N 2 2 288.388 -0.457 20 0 CBADLP COC(=O)[C@@H]1C[C@H](O)C[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000595565505 355295793 /nfs/dbraw/zinc/29/57/93/355295793.db2.gz FIPDFLDNJOWHCX-FRRDWIJNSA-N 2 2 288.388 -0.457 20 0 CBADLP COC(=O)[C@@H]1C[C@H](O)C[NH+](C[C@H](O)C[N@H+](C)C(C)C)C1 ZINC000595565505 355295797 /nfs/dbraw/zinc/29/57/97/355295797.db2.gz FIPDFLDNJOWHCX-FRRDWIJNSA-N 2 2 288.388 -0.457 20 0 CBADLP COC(=O)[C@@H]1C[C@H](O)C[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000595565505 355295800 /nfs/dbraw/zinc/29/58/00/355295800.db2.gz FIPDFLDNJOWHCX-FRRDWIJNSA-N 2 2 288.388 -0.457 20 0 CBADLP COC(=O)[C@](C)(O)C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000595863326 355312797 /nfs/dbraw/zinc/31/27/97/355312797.db2.gz NRYZRVCIIWQJAA-GXTWGEPZSA-N 2 2 286.372 -0.559 20 0 CBADLP COC(=O)[C@](C)(O)C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000595863326 355312799 /nfs/dbraw/zinc/31/27/99/355312799.db2.gz NRYZRVCIIWQJAA-GXTWGEPZSA-N 2 2 286.372 -0.559 20 0 CBADLP COC(=O)[C@](C)(O)C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000595863333 355312895 /nfs/dbraw/zinc/31/28/95/355312895.db2.gz NRYZRVCIIWQJAA-TZMCWYRMSA-N 2 2 286.372 -0.559 20 0 CBADLP COC(=O)[C@](C)(O)C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000595863333 355312899 /nfs/dbraw/zinc/31/28/99/355312899.db2.gz NRYZRVCIIWQJAA-TZMCWYRMSA-N 2 2 286.372 -0.559 20 0 CBADLP COC(=O)c1cn([C@H]2CC[N@H+](C[C@@H]3C[NH2+]CCO3)C2)nn1 ZINC000595890825 355314683 /nfs/dbraw/zinc/31/46/83/355314683.db2.gz FJKCUQZWILOLDV-QWRGUYRKSA-N 2 2 295.343 -0.700 20 0 CBADLP COC(=O)c1cn([C@H]2CC[N@@H+](C[C@@H]3C[NH2+]CCO3)C2)nn1 ZINC000595890825 355314685 /nfs/dbraw/zinc/31/46/85/355314685.db2.gz FJKCUQZWILOLDV-QWRGUYRKSA-N 2 2 295.343 -0.700 20 0 CBADLP C[NH2+]C1CC[NH+]([C@H]2CCN(CCC(=O)OC)C2=O)CC1 ZINC000595892894 355314754 /nfs/dbraw/zinc/31/47/54/355314754.db2.gz OTZNSCNJBHHVJN-LBPRGKRZSA-N 2 2 283.372 -0.166 20 0 CBADLP COC(=O)C[C@@H]1C[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000595894292 355315608 /nfs/dbraw/zinc/31/56/08/355315608.db2.gz WQPMTHXCONTAIX-VXGBXAGGSA-N 2 2 284.356 -0.229 20 0 CBADLP COC(=O)C[C@@H]1C[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000595894292 355315610 /nfs/dbraw/zinc/31/56/10/355315610.db2.gz WQPMTHXCONTAIX-VXGBXAGGSA-N 2 2 284.356 -0.229 20 0 CBADLP Cn1c[nH+]cc1CCC[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000595903263 355316660 /nfs/dbraw/zinc/31/66/60/355316660.db2.gz QDPKCVNQFHRFQT-CHWSQXEVSA-N 3 2 277.372 -0.404 20 0 CBADLP Cn1c[nH+]cc1CCC[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000595903263 355316664 /nfs/dbraw/zinc/31/66/64/355316664.db2.gz QDPKCVNQFHRFQT-CHWSQXEVSA-N 3 2 277.372 -0.404 20 0 CBADLP Cn1cncc1CCC[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000595903263 355316669 /nfs/dbraw/zinc/31/66/69/355316669.db2.gz QDPKCVNQFHRFQT-CHWSQXEVSA-N 2 2 277.372 -0.404 20 0 CBADLP Cn1cncc1CCC[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000595903263 355316672 /nfs/dbraw/zinc/31/66/72/355316672.db2.gz QDPKCVNQFHRFQT-CHWSQXEVSA-N 2 2 277.372 -0.404 20 0 CBADLP Cc1nocc1C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000595902675 355316800 /nfs/dbraw/zinc/31/68/00/355316800.db2.gz FFRQYKJWTLXDKP-GHMZBOCLSA-N 2 2 250.302 -0.273 20 0 CBADLP Cc1nocc1C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000595902675 355316803 /nfs/dbraw/zinc/31/68/03/355316803.db2.gz FFRQYKJWTLXDKP-GHMZBOCLSA-N 2 2 250.302 -0.273 20 0 CBADLP COC(=O)CN(C)C(=O)CC[N@@H+]1CC2CC1(C[NH3+])C2 ZINC000595903089 355316914 /nfs/dbraw/zinc/31/69/14/355316914.db2.gz ITVZMRXKLFVPPO-UHFFFAOYSA-N 2 2 269.345 -0.569 20 0 CBADLP COC(=O)CN(C)C(=O)CC[N@H+]1CC2CC1(C[NH3+])C2 ZINC000595903089 355316916 /nfs/dbraw/zinc/31/69/16/355316916.db2.gz ITVZMRXKLFVPPO-UHFFFAOYSA-N 2 2 269.345 -0.569 20 0 CBADLP Cc1nnsc1C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000595902977 355316929 /nfs/dbraw/zinc/31/69/29/355316929.db2.gz LBGIKUPOSCWJSE-BDAKNGLRSA-N 2 2 267.358 -0.410 20 0 CBADLP Cc1nnsc1C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000595902977 355316931 /nfs/dbraw/zinc/31/69/31/355316931.db2.gz LBGIKUPOSCWJSE-BDAKNGLRSA-N 2 2 267.358 -0.410 20 0 CBADLP COC(=O)[C@](C)(CCF)[NH2+]CCC(=O)N1CC[NH2+]CC1 ZINC000595910806 355317659 /nfs/dbraw/zinc/31/76/59/355317659.db2.gz RWZVXOAXVONINC-ZDUSSCGKSA-N 2 2 289.351 -0.311 20 0 CBADLP COC(=O)CN(CC[NH+]1CCOCC1)C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000595953460 355327416 /nfs/dbraw/zinc/32/74/16/355327416.db2.gz BXGPPQCKWJPLIQ-HAQNSBGRSA-N 2 2 299.371 -0.943 20 0 CBADLP COC(=O)CCCN(C)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000595971526 355331207 /nfs/dbraw/zinc/33/12/07/355331207.db2.gz OVDGVCOPKJEINW-SNVBAGLBSA-N 2 2 259.350 -0.323 20 0 CBADLP COC(=O)[C@@H]1CCC[C@@H]1NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000595974518 355332308 /nfs/dbraw/zinc/33/23/08/355332308.db2.gz FGKVTVAIKSYIRB-VWYCJHECSA-N 2 2 271.361 -0.277 20 0 CBADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@@H]([NH3+])CC(=O)OC ZINC000595977356 355333950 /nfs/dbraw/zinc/33/39/50/355333950.db2.gz HWLXQSJVSCWOSW-BDAKNGLRSA-N 2 2 268.317 -0.029 20 0 CBADLP COC(=O)[C@]1(OC)CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000599558909 355498970 /nfs/dbraw/zinc/49/89/70/355498970.db2.gz PONROHJAUMLJIG-OCCSQVGLSA-N 2 2 288.388 -0.049 20 0 CBADLP COC(=O)[C@]1(OC)CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000599558909 355498975 /nfs/dbraw/zinc/49/89/75/355498975.db2.gz PONROHJAUMLJIG-OCCSQVGLSA-N 2 2 288.388 -0.049 20 0 CBADLP COC(=O)[C@]1(OC)CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C1 ZINC000599558909 355498980 /nfs/dbraw/zinc/49/89/80/355498980.db2.gz PONROHJAUMLJIG-OCCSQVGLSA-N 2 2 288.388 -0.049 20 0 CBADLP COC(=O)[C@]1(OC)CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000599558909 355498981 /nfs/dbraw/zinc/49/89/81/355498981.db2.gz PONROHJAUMLJIG-OCCSQVGLSA-N 2 2 288.388 -0.049 20 0 CBADLP CCOC(=O)C[C@H](O)C[NH+]1CCC([N@H+](C)CCO)CC1 ZINC000599287694 355476777 /nfs/dbraw/zinc/47/67/77/355476777.db2.gz DFAMEQKEXNJIPT-ZDUSSCGKSA-N 2 2 288.388 -0.311 20 0 CBADLP CCOC(=O)C[C@H](O)C[NH+]1CCC([N@@H+](C)CCO)CC1 ZINC000599287694 355476779 /nfs/dbraw/zinc/47/67/79/355476779.db2.gz DFAMEQKEXNJIPT-ZDUSSCGKSA-N 2 2 288.388 -0.311 20 0 CBADLP CN1CC[N@H+](C)[C@@H](CNC(=O)N[C@H]2CCC[NH+](C)C2)C1 ZINC000601269995 355582668 /nfs/dbraw/zinc/58/26/68/355582668.db2.gz JERJPFGYESBDKR-STQMWFEESA-N 2 2 283.420 -0.374 20 0 CBADLP CN1CC[N@@H+](C)[C@@H](CNC(=O)N[C@H]2CCC[NH+](C)C2)C1 ZINC000601269995 355582671 /nfs/dbraw/zinc/58/26/71/355582671.db2.gz JERJPFGYESBDKR-STQMWFEESA-N 2 2 283.420 -0.374 20 0 CBADLP CN1CC[NH+](C)[C@@H](CNC(=O)N[C@H]2CCC[N@H+](C)C2)C1 ZINC000601269995 355582675 /nfs/dbraw/zinc/58/26/75/355582675.db2.gz JERJPFGYESBDKR-STQMWFEESA-N 2 2 283.420 -0.374 20 0 CBADLP CN1CC[NH+](C)[C@@H](CNC(=O)N[C@H]2CCC[N@@H+](C)C2)C1 ZINC000601269995 355582677 /nfs/dbraw/zinc/58/26/77/355582677.db2.gz JERJPFGYESBDKR-STQMWFEESA-N 2 2 283.420 -0.374 20 0 CBADLP CNC(=O)NC(=O)CC[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000601328648 355587810 /nfs/dbraw/zinc/58/78/10/355587810.db2.gz VBSJAXSTXHUGIC-SKDRFNHKSA-N 2 2 254.334 -0.436 20 0 CBADLP CNC(=O)NC(=O)CC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000601335435 355588355 /nfs/dbraw/zinc/58/83/55/355588355.db2.gz UJFAWKPIMBGUIE-GHMZBOCLSA-N 2 2 268.361 -0.094 20 0 CBADLP CNC(=O)NC(=O)CC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000601335435 355588361 /nfs/dbraw/zinc/58/83/61/355588361.db2.gz UJFAWKPIMBGUIE-GHMZBOCLSA-N 2 2 268.361 -0.094 20 0 CBADLP COC[C@H](C)NC(=O)NC(=O)C[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000601334062 355588634 /nfs/dbraw/zinc/58/86/34/355588634.db2.gz WOZYIZCNAWLGQL-WDMOLILDSA-N 2 2 298.387 -0.421 20 0 CBADLP CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000601335845 355588755 /nfs/dbraw/zinc/58/87/55/355588755.db2.gz YMAFLKWTRUJMHX-GHMZBOCLSA-N 2 2 268.361 -0.094 20 0 CBADLP CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000601335845 355588757 /nfs/dbraw/zinc/58/87/57/355588757.db2.gz YMAFLKWTRUJMHX-GHMZBOCLSA-N 2 2 268.361 -0.094 20 0 CBADLP COc1ccncc1C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000600709592 355562483 /nfs/dbraw/zinc/56/24/83/355562483.db2.gz LGRJZHHZJHZMBS-RYUDHWBXSA-N 2 2 276.340 -0.166 20 0 CBADLP COc1ccncc1C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000600709592 355562485 /nfs/dbraw/zinc/56/24/85/355562485.db2.gz LGRJZHHZJHZMBS-RYUDHWBXSA-N 2 2 276.340 -0.166 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000600749740 355564869 /nfs/dbraw/zinc/56/48/69/355564869.db2.gz RGIFTZCELGUDNN-FXAINCCUSA-N 2 2 254.334 -0.499 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000600749740 355564872 /nfs/dbraw/zinc/56/48/72/355564872.db2.gz RGIFTZCELGUDNN-FXAINCCUSA-N 2 2 254.334 -0.499 20 0 CBADLP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000600978960 355573734 /nfs/dbraw/zinc/57/37/34/355573734.db2.gz OUASCAJZOKUEAC-NWDGAFQWSA-N 2 2 255.362 -0.083 20 0 CBADLP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000600978960 355573735 /nfs/dbraw/zinc/57/37/35/355573735.db2.gz OUASCAJZOKUEAC-NWDGAFQWSA-N 2 2 255.362 -0.083 20 0 CBADLP C[NH+]1CCO[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000600978960 355573736 /nfs/dbraw/zinc/57/37/36/355573736.db2.gz OUASCAJZOKUEAC-NWDGAFQWSA-N 2 2 255.362 -0.083 20 0 CBADLP C[NH+]1CCO[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000600978960 355573737 /nfs/dbraw/zinc/57/37/37/355573737.db2.gz OUASCAJZOKUEAC-NWDGAFQWSA-N 2 2 255.362 -0.083 20 0 CBADLP C[NH+]1CCN(CC(=O)NCC[NH+]2CCSCC2)CC1 ZINC000602324710 355644566 /nfs/dbraw/zinc/64/45/66/355644566.db2.gz ABUCAINYVSMOKF-UHFFFAOYSA-N 2 2 286.445 -0.601 20 0 CBADLP C[NH+]1CCN(C(=O)NCC[NH+]2CCSCC2)CC1 ZINC000602445790 355651026 /nfs/dbraw/zinc/65/10/26/355651026.db2.gz KGODIRYIJCQUFU-UHFFFAOYSA-N 2 2 272.418 -0.008 20 0 CBADLP CCc1c[nH]c(CC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)[nH+]1 ZINC000602522700 355656751 /nfs/dbraw/zinc/65/67/51/355656751.db2.gz GBAWLSBTTUYQKV-GHMZBOCLSA-N 2 2 291.355 -0.715 20 0 CBADLP COC(=O)C12CCC(CC1)N2C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000602597289 355663989 /nfs/dbraw/zinc/66/39/89/355663989.db2.gz AKFAUJYDVUHHHK-IQLKVPPVSA-N 2 2 283.372 -0.038 20 0 CBADLP [NH3+][C@H]1C[C@@H]2C[N@H+](Cc3ccns3)CCN2C1=O ZINC000603427826 355715154 /nfs/dbraw/zinc/71/51/54/355715154.db2.gz GBMGAZQVNRHPSC-SCZZXKLOSA-N 2 2 252.343 -0.113 20 0 CBADLP [NH3+][C@H]1C[C@@H]2C[N@@H+](Cc3ccns3)CCN2C1=O ZINC000603427826 355715156 /nfs/dbraw/zinc/71/51/56/355715156.db2.gz GBMGAZQVNRHPSC-SCZZXKLOSA-N 2 2 252.343 -0.113 20 0 CBADLP COC(=O)[C@@H]1[C@@H](O)CCC[N@@H+]1CCc1c[nH+]cn1C ZINC000602816927 355673358 /nfs/dbraw/zinc/67/33/58/355673358.db2.gz VLKIDRKPPJTIMC-RYUDHWBXSA-N 2 2 267.329 -0.039 20 0 CBADLP COC(=O)[C@@H]1[C@@H](O)CCC[N@H+]1CCc1c[nH+]cn1C ZINC000602816927 355673361 /nfs/dbraw/zinc/67/33/61/355673361.db2.gz VLKIDRKPPJTIMC-RYUDHWBXSA-N 2 2 267.329 -0.039 20 0 CBADLP COC(=O)[C@H]1CN(CCc2c[nH+]cn2C)CC[N@H+](C)C1 ZINC000602839147 355674779 /nfs/dbraw/zinc/67/47/79/355674779.db2.gz HRHSDUNBYCMQLI-GFCCVEGCSA-N 2 2 280.372 -0.001 20 0 CBADLP COC(=O)[C@H]1CN(CCc2c[nH+]cn2C)CC[N@@H+](C)C1 ZINC000602839147 355674781 /nfs/dbraw/zinc/67/47/81/355674781.db2.gz HRHSDUNBYCMQLI-GFCCVEGCSA-N 2 2 280.372 -0.001 20 0 CBADLP CCOC(=O)C[C@@H](O)C[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000602877000 355678977 /nfs/dbraw/zinc/67/89/77/355678977.db2.gz JJRHZUGATVZWKV-TZMCWYRMSA-N 2 2 288.388 -0.311 20 0 CBADLP CCOC(=O)C[C@@H](O)C[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000602877000 355678983 /nfs/dbraw/zinc/67/89/83/355678983.db2.gz JJRHZUGATVZWKV-TZMCWYRMSA-N 2 2 288.388 -0.311 20 0 CBADLP CCOC(=O)[C@](C)(O)C[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000602876671 355679449 /nfs/dbraw/zinc/67/94/49/355679449.db2.gz INFVVNNQTSOEHR-KGLIPLIRSA-N 2 2 288.388 -0.311 20 0 CBADLP CCOC(=O)[C@](C)(O)C[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000602876671 355679451 /nfs/dbraw/zinc/67/94/51/355679451.db2.gz INFVVNNQTSOEHR-KGLIPLIRSA-N 2 2 288.388 -0.311 20 0 CBADLP COC(=O)[C@@](C)(O)C[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000602875948 355679680 /nfs/dbraw/zinc/67/96/80/355679680.db2.gz CEYNMKQJMIHTHG-QWHCGFSZSA-N 2 2 274.361 -0.701 20 0 CBADLP COC(=O)[C@@](C)(O)C[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000602875948 355679683 /nfs/dbraw/zinc/67/96/83/355679683.db2.gz CEYNMKQJMIHTHG-QWHCGFSZSA-N 2 2 274.361 -0.701 20 0 CBADLP CCNC(=O)C[NH+](C)CC(C)C[N@@H+](C)CC(=O)NCC ZINC000605576016 355735408 /nfs/dbraw/zinc/73/54/08/355735408.db2.gz VVJWOFHUNZMXKM-UHFFFAOYSA-N 2 2 286.420 -0.242 20 0 CBADLP COC(=O)CNC(=O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609260227 355768024 /nfs/dbraw/zinc/76/80/24/355768024.db2.gz LUGMHWRPUVFOTR-NSHDSACASA-N 2 2 280.328 -0.191 20 0 CBADLP COC(=O)CNC(=O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609260227 355768025 /nfs/dbraw/zinc/76/80/25/355768025.db2.gz LUGMHWRPUVFOTR-NSHDSACASA-N 2 2 280.328 -0.191 20 0 CBADLP C[N@@H+]1CCC[C@H](N2CC[NH+](CC(=O)NC3CC3)CC2)C1 ZINC000604389567 355725253 /nfs/dbraw/zinc/72/52/53/355725253.db2.gz CHQGFBRNEZGSHR-AWEZNQCLSA-N 2 2 280.416 -0.023 20 0 CBADLP C[N@H+]1CCC[C@H](N2CC[NH+](CC(=O)NC3CC3)CC2)C1 ZINC000604389567 355725254 /nfs/dbraw/zinc/72/52/54/355725254.db2.gz CHQGFBRNEZGSHR-AWEZNQCLSA-N 2 2 280.416 -0.023 20 0 CBADLP COC(=O)CNC(=O)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000611533281 355805141 /nfs/dbraw/zinc/80/51/41/355805141.db2.gz PKQHSJQNOBUATQ-UHFFFAOYSA-N 2 2 292.339 -0.507 20 0 CBADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000612748542 355849811 /nfs/dbraw/zinc/84/98/11/355849811.db2.gz XRVHBOKCXVNEIH-JHJVBQTASA-N 2 2 289.383 -0.360 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000612877177 355854195 /nfs/dbraw/zinc/85/41/95/355854195.db2.gz WPXAVDJXGCFFPL-AAEUAGOBSA-N 2 2 270.377 -0.242 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000612877177 355854197 /nfs/dbraw/zinc/85/41/97/355854197.db2.gz WPXAVDJXGCFFPL-AAEUAGOBSA-N 2 2 270.377 -0.242 20 0 CBADLP C[NH+](C)C1(C(=O)NCCC[N@@H+]2CCNC(=O)C2)CC1 ZINC000612880011 355854263 /nfs/dbraw/zinc/85/42/63/355854263.db2.gz IKAOYFXLKQEDHB-UHFFFAOYSA-N 2 2 268.361 -0.981 20 0 CBADLP C[NH+](C)C1(C(=O)NCCC[N@H+]2CCNC(=O)C2)CC1 ZINC000612880011 355854264 /nfs/dbraw/zinc/85/42/64/355854264.db2.gz IKAOYFXLKQEDHB-UHFFFAOYSA-N 2 2 268.361 -0.981 20 0 CBADLP CN1CC[N@H+](C)[C@H](CNC(=O)N[C@@]2(C)CC[NH2+]C2)C1 ZINC000612881189 355854901 /nfs/dbraw/zinc/85/49/01/355854901.db2.gz ZCWFOJLJXKIHHK-YPMHNXCESA-N 2 2 269.393 -0.717 20 0 CBADLP CN1CC[N@@H+](C)[C@H](CNC(=O)N[C@@]2(C)CC[NH2+]C2)C1 ZINC000612881189 355854905 /nfs/dbraw/zinc/85/49/05/355854905.db2.gz ZCWFOJLJXKIHHK-YPMHNXCESA-N 2 2 269.393 -0.717 20 0 CBADLP CCCC[C@H](CNC(=O)C[NH+](C)C)NC(=O)C[NH+](C)C ZINC000612288132 355828248 /nfs/dbraw/zinc/82/82/48/355828248.db2.gz JTBXFYAHIXYXRO-GFCCVEGCSA-N 2 2 286.420 -0.099 20 0 CBADLP CN(C)C(=O)CC[NH+]1CCN(C(=O)C2([NH+](C)C)CC2)CC1 ZINC000612409269 355832800 /nfs/dbraw/zinc/83/28/00/355832800.db2.gz WGKGJQKRQXXJCB-UHFFFAOYSA-N 2 2 296.415 -0.297 20 0 CBADLP C(=C\C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)\C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000613996123 355926500 /nfs/dbraw/zinc/92/65/00/355926500.db2.gz PWEDYBAZADZXAJ-UKTXIIABSA-N 4 2 276.428 -0.155 20 0 CBADLP C(=C\C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)\C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000613996123 355926504 /nfs/dbraw/zinc/92/65/04/355926504.db2.gz PWEDYBAZADZXAJ-UKTXIIABSA-N 4 2 276.428 -0.155 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CCC2(C[NH+](C)C2)C1 ZINC000614039183 355928198 /nfs/dbraw/zinc/92/81/98/355928198.db2.gz QABARQCUEOVUFB-UHFFFAOYSA-N 2 2 296.415 -0.393 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CCC2(C[NH+](C)C2)C1 ZINC000614039183 355928202 /nfs/dbraw/zinc/92/82/02/355928202.db2.gz QABARQCUEOVUFB-UHFFFAOYSA-N 2 2 296.415 -0.393 20 0 CBADLP CC[N@@H+]1CCOC[C@H]1C(=O)N1CCC2(C[NH+](C)C2)C1 ZINC000614038261 355928507 /nfs/dbraw/zinc/92/85/07/355928507.db2.gz MYYGVXHPNODLTB-LBPRGKRZSA-N 2 2 267.373 -0.129 20 0 CBADLP CC[N@H+]1CCOC[C@H]1C(=O)N1CCC2(C[NH+](C)C2)C1 ZINC000614038261 355928508 /nfs/dbraw/zinc/92/85/08/355928508.db2.gz MYYGVXHPNODLTB-LBPRGKRZSA-N 2 2 267.373 -0.129 20 0 CBADLP C[NH+](C)C[C@H](CO)NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000614842625 355988188 /nfs/dbraw/zinc/98/81/88/355988188.db2.gz QITUJHYULBDJNS-VHSXEESVSA-N 2 2 266.345 -0.447 20 0 CBADLP C[NH+](C)C[C@H](CO)NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000614842625 355988189 /nfs/dbraw/zinc/98/81/89/355988189.db2.gz QITUJHYULBDJNS-VHSXEESVSA-N 2 2 266.345 -0.447 20 0 CBADLP CN(C)[C@@H](C(=O)N[C@@H](CO)C[NH+](C)C)c1c[nH+]cn1C ZINC000614847485 355989509 /nfs/dbraw/zinc/98/95/09/355989509.db2.gz MDANOEPNOSENFW-ZYHUDNBSSA-N 2 2 283.376 -0.939 20 0 CBADLP C[NH+](C)C[C@H](CO)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000614851396 355991076 /nfs/dbraw/zinc/99/10/76/355991076.db2.gz IKXADOBZPGNZRM-WDEREUQCSA-N 2 2 266.345 -0.516 20 0 CBADLP C[NH+](C)C[C@@H](CO)NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC000614850523 355991268 /nfs/dbraw/zinc/99/12/68/355991268.db2.gz ZKUITZNMNKTIML-NSHDSACASA-N 2 2 280.372 -0.199 20 0 CBADLP CC1(C)C[NH+](CC(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000614506178 355964863 /nfs/dbraw/zinc/96/48/63/355964863.db2.gz WVEJBKVNFOZKNP-CYBMUJFWSA-N 2 2 280.416 -0.166 20 0 CBADLP CC1(C)C[NH+](CC(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)C1 ZINC000614506178 355964868 /nfs/dbraw/zinc/96/48/68/355964868.db2.gz WVEJBKVNFOZKNP-CYBMUJFWSA-N 2 2 280.416 -0.166 20 0 CBADLP CCN1OC[C@H]([N@@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)C1=O ZINC000616015871 356063747 /nfs/dbraw/zinc/06/37/47/356063747.db2.gz FMCDHHWPOSJKKV-KBPBESRZSA-N 2 2 296.415 -0.140 20 0 CBADLP CCN1OC[C@H]([N@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)C1=O ZINC000616015871 356063750 /nfs/dbraw/zinc/06/37/50/356063750.db2.gz FMCDHHWPOSJKKV-KBPBESRZSA-N 2 2 296.415 -0.140 20 0 CBADLP CC[N@@H+]1CCOC[C@@H]1C(=O)N(C)CC1C[NH+](C)C1 ZINC000618191587 356178949 /nfs/dbraw/zinc/17/89/49/356178949.db2.gz KFRODOOVKLXFKS-GFCCVEGCSA-N 2 2 255.362 -0.273 20 0 CBADLP CC[N@H+]1CCOC[C@@H]1C(=O)N(C)CC1C[NH+](C)C1 ZINC000618191587 356178951 /nfs/dbraw/zinc/17/89/51/356178951.db2.gz KFRODOOVKLXFKS-GFCCVEGCSA-N 2 2 255.362 -0.273 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cn1cc[nH+]c1 ZINC000617764004 356155165 /nfs/dbraw/zinc/15/51/65/356155165.db2.gz FJDFTQMFHQXPHI-UHFFFAOYSA-N 3 2 267.377 -0.117 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cn1cc[nH+]c1 ZINC000617764004 356155167 /nfs/dbraw/zinc/15/51/67/356155167.db2.gz FJDFTQMFHQXPHI-UHFFFAOYSA-N 3 2 267.377 -0.117 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1CC[C@@H]1C(N)=O ZINC000617764332 356155618 /nfs/dbraw/zinc/15/56/18/356155618.db2.gz RPZLSLUQNWPYMS-NWDGAFQWSA-N 2 2 284.404 -0.502 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1CC[C@@H]1C(N)=O ZINC000617764332 356155625 /nfs/dbraw/zinc/15/56/25/356155625.db2.gz RPZLSLUQNWPYMS-NWDGAFQWSA-N 2 2 284.404 -0.502 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1coc(C(N)=O)c1 ZINC000617764657 356155763 /nfs/dbraw/zinc/15/57/63/356155763.db2.gz BGKFJCTYBHLHLL-UHFFFAOYSA-N 2 2 296.371 -0.008 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1coc(C(N)=O)c1 ZINC000617764657 356155767 /nfs/dbraw/zinc/15/57/67/356155767.db2.gz BGKFJCTYBHLHLL-UHFFFAOYSA-N 2 2 296.371 -0.008 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1CCCC(=O)N1 ZINC000617765559 356156393 /nfs/dbraw/zinc/15/63/93/356156393.db2.gz GLGZPDGGJXBOKK-LBPRGKRZSA-N 2 2 284.404 -0.345 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1CCCC(=O)N1 ZINC000617765559 356156395 /nfs/dbraw/zinc/15/63/95/356156395.db2.gz GLGZPDGGJXBOKK-LBPRGKRZSA-N 2 2 284.404 -0.345 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CNC(=O)C1CC1 ZINC000617767223 356156404 /nfs/dbraw/zinc/15/64/04/356156404.db2.gz LGFOOOSEJYRJAF-UHFFFAOYSA-N 2 2 284.404 -0.488 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CNC(=O)C1CC1 ZINC000617767223 356156407 /nfs/dbraw/zinc/15/64/07/356156407.db2.gz LGFOOOSEJYRJAF-UHFFFAOYSA-N 2 2 284.404 -0.488 20 0 CBADLP COC[C@@](C)(O)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617765763 356156557 /nfs/dbraw/zinc/15/65/57/356156557.db2.gz PLWMCZWQYZUUTR-CYBMUJFWSA-N 2 2 275.393 -0.617 20 0 CBADLP COC[C@@](C)(O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617765763 356156561 /nfs/dbraw/zinc/15/65/61/356156561.db2.gz PLWMCZWQYZUUTR-CYBMUJFWSA-N 2 2 275.393 -0.617 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1CCNC(=O)C1 ZINC000617765904 356156859 /nfs/dbraw/zinc/15/68/59/356156859.db2.gz VMIDYKHFQRZSDU-LBPRGKRZSA-N 2 2 284.404 -0.488 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1CCNC(=O)C1 ZINC000617765904 356156861 /nfs/dbraw/zinc/15/68/61/356156861.db2.gz VMIDYKHFQRZSDU-LBPRGKRZSA-N 2 2 284.404 -0.488 20 0 CBADLP CN1C[C@@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)CC1=O ZINC000617768314 356156955 /nfs/dbraw/zinc/15/69/55/356156955.db2.gz YMFUKBRTVNGHFK-LBPRGKRZSA-N 2 2 284.404 -0.536 20 0 CBADLP CN1C[C@@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)CC1=O ZINC000617768314 356156959 /nfs/dbraw/zinc/15/69/59/356156959.db2.gz YMFUKBRTVNGHFK-LBPRGKRZSA-N 2 2 284.404 -0.536 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CN1CCCCC1=O ZINC000617767906 356157061 /nfs/dbraw/zinc/15/70/61/356157061.db2.gz HSWNSUFXEIUELU-UHFFFAOYSA-N 2 2 298.431 -0.001 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CN1CCCCC1=O ZINC000617767906 356157062 /nfs/dbraw/zinc/15/70/62/356157062.db2.gz HSWNSUFXEIUELU-UHFFFAOYSA-N 2 2 298.431 -0.001 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC[NH2+][C@H](C(C)C)C1 ZINC000621149245 356256827 /nfs/dbraw/zinc/25/68/27/356256827.db2.gz CQVLRHVMXXZJSG-ZDUSSCGKSA-N 2 2 298.431 -0.101 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CC[NH2+][C@H](C(C)C)C1 ZINC000621149245 356256831 /nfs/dbraw/zinc/25/68/31/356256831.db2.gz CQVLRHVMXXZJSG-ZDUSSCGKSA-N 2 2 298.431 -0.101 20 0 CBADLP CC(C)[NH2+]CC(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000621242010 356258585 /nfs/dbraw/zinc/25/85/85/356258585.db2.gz QZMURLNLVCWBRD-GFCCVEGCSA-N 2 2 296.415 -0.204 20 0 CBADLP [NH3+][C@]12CCC[C@@H]1C[N@H+](CCC(=O)N1CC[NH2+]CC1)C2 ZINC000621784308 356284588 /nfs/dbraw/zinc/28/45/88/356284588.db2.gz MTNPEGMWXYHPTC-OCCSQVGLSA-N 3 2 266.389 -0.379 20 0 CBADLP [NH3+][C@]12CCC[C@@H]1C[N@@H+](CCC(=O)N1CC[NH2+]CC1)C2 ZINC000621784308 356284593 /nfs/dbraw/zinc/28/45/93/356284593.db2.gz MTNPEGMWXYHPTC-OCCSQVGLSA-N 3 2 266.389 -0.379 20 0 CBADLP Cn1c(C[N@@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)cc(=O)n(C)c1=O ZINC000621779498 356284662 /nfs/dbraw/zinc/28/46/62/356284662.db2.gz FVVFRGZZBHHTPA-IINYFYTJSA-N 2 2 278.356 -0.603 20 0 CBADLP Cn1c(C[N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)cc(=O)n(C)c1=O ZINC000621779498 356284666 /nfs/dbraw/zinc/28/46/66/356284666.db2.gz FVVFRGZZBHHTPA-IINYFYTJSA-N 2 2 278.356 -0.603 20 0 CBADLP Cn1cc(C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)c(=O)n(C)c1=O ZINC000622004007 356298956 /nfs/dbraw/zinc/29/89/56/356298956.db2.gz ISMPMEJPGPLKGU-BXUZGUMPSA-N 2 2 278.356 -0.603 20 0 CBADLP Cn1cc(C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)c(=O)n(C)c1=O ZINC000622004007 356298957 /nfs/dbraw/zinc/29/89/57/356298957.db2.gz ISMPMEJPGPLKGU-BXUZGUMPSA-N 2 2 278.356 -0.603 20 0 CBADLP CC(=O)N1CC[C@@H]([NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)C1 ZINC000622044621 356302657 /nfs/dbraw/zinc/30/26/57/356302657.db2.gz NAAYGNHFETYVEX-CYZMBNFOSA-N 2 2 255.362 -0.036 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000622418665 356319385 /nfs/dbraw/zinc/31/93/85/356319385.db2.gz NVTKUXMTBJPDOU-CYBMUJFWSA-N 2 2 296.371 -0.657 20 0 CBADLP Cn1nccc1C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000623618197 356369413 /nfs/dbraw/zinc/36/94/13/356369413.db2.gz HLKDIFLFTSUOND-LBPRGKRZSA-N 2 2 265.361 -0.151 20 0 CBADLP Cn1nccc1C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000623618197 356369416 /nfs/dbraw/zinc/36/94/16/356369416.db2.gz HLKDIFLFTSUOND-LBPRGKRZSA-N 2 2 265.361 -0.151 20 0 CBADLP COc1nccnc1C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000623619553 356368825 /nfs/dbraw/zinc/36/88/25/356368825.db2.gz KYGDTVXSCLNSPM-LBPRGKRZSA-N 2 2 293.371 -0.085 20 0 CBADLP COc1nccnc1C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000623619553 356368829 /nfs/dbraw/zinc/36/88/29/356368829.db2.gz KYGDTVXSCLNSPM-LBPRGKRZSA-N 2 2 293.371 -0.085 20 0 CBADLP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)n1 ZINC000623255725 356357768 /nfs/dbraw/zinc/35/77/68/356357768.db2.gz RJLFADUCGWVYIE-LLVKDONJSA-N 2 2 288.355 -0.004 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000623264569 356358589 /nfs/dbraw/zinc/35/85/89/356358589.db2.gz OSDBAEBHMQAAFT-ONGXEEELSA-N 2 2 250.302 -0.745 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000623264569 356358590 /nfs/dbraw/zinc/35/85/90/356358590.db2.gz OSDBAEBHMQAAFT-ONGXEEELSA-N 2 2 250.302 -0.745 20 0 CBADLP CN(C)c1[nH+]cc(C[NH2+]C[C@H]2COCCN2C)n1C ZINC000623712753 356371697 /nfs/dbraw/zinc/37/16/97/356371697.db2.gz KRNKMQCYAOILKB-LBPRGKRZSA-N 2 2 267.377 -0.094 20 0 CBADLP C[NH+]1CCOC[C@H]1CNC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000623721882 356372896 /nfs/dbraw/zinc/37/28/96/356372896.db2.gz UTQRFNZLUARHGG-QWHCGFSZSA-N 2 2 284.404 -0.042 20 0 CBADLP C[NH+]1CCOC[C@H]1CNC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000623721882 356372899 /nfs/dbraw/zinc/37/28/99/356372899.db2.gz UTQRFNZLUARHGG-QWHCGFSZSA-N 2 2 284.404 -0.042 20 0 CBADLP C[NH+]1CCC[C@@H](CNC(=O)NC[C@@H]2COCC[N@@H+]2C)C1 ZINC000623721882 356372902 /nfs/dbraw/zinc/37/29/02/356372902.db2.gz UTQRFNZLUARHGG-QWHCGFSZSA-N 2 2 284.404 -0.042 20 0 CBADLP C[NH+]1CCC[C@@H](CNC(=O)NC[C@@H]2COCC[N@H+]2C)C1 ZINC000623721882 356372906 /nfs/dbraw/zinc/37/29/06/356372906.db2.gz UTQRFNZLUARHGG-QWHCGFSZSA-N 2 2 284.404 -0.042 20 0 CBADLP Cc1[nH+]ccn1CCNC(=O)NC[C@H]1COCC[N@H+]1C ZINC000623723373 356373109 /nfs/dbraw/zinc/37/31/09/356373109.db2.gz NLIBETYKRXPPSN-LBPRGKRZSA-N 2 2 281.360 -0.179 20 0 CBADLP Cc1[nH+]ccn1CCNC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000623723373 356373112 /nfs/dbraw/zinc/37/31/12/356373112.db2.gz NLIBETYKRXPPSN-LBPRGKRZSA-N 2 2 281.360 -0.179 20 0 CBADLP C[C@@H]1C[N@H+](CCCNc2nc(N)nc(N)[nH+]2)CCCO1 ZINC000624158546 356399793 /nfs/dbraw/zinc/39/97/93/356399793.db2.gz DTQBZCNHPDCDIW-SECBINFHSA-N 2 2 281.364 -0.969 20 0 CBADLP C[C@@H]1C[N@@H+](CCCNc2nc(N)nc(N)[nH+]2)CCCO1 ZINC000624158546 356399798 /nfs/dbraw/zinc/39/97/98/356399798.db2.gz DTQBZCNHPDCDIW-SECBINFHSA-N 2 2 281.364 -0.969 20 0 CBADLP Nc1nc(N2CC[NH+](Cc3ccco3)CC2)nc(N)[nH+]1 ZINC000623820031 356377014 /nfs/dbraw/zinc/37/70/14/356377014.db2.gz FQYPJQWKRIVZQW-UHFFFAOYSA-N 2 2 275.316 -0.388 20 0 CBADLP Nc1nc(NCC[NH+]2Cc3ccccc3C2)nc(N)[nH+]1 ZINC000623902415 356381583 /nfs/dbraw/zinc/38/15/83/356381583.db2.gz HKSANINBXFLQLQ-UHFFFAOYSA-N 2 2 271.328 -0.454 20 0 CBADLP CC[N@@H+]1CC[C@H](N(C)c2nc(N)nc(N)[nH+]2)[C@H](C)C1 ZINC000623991414 356386235 /nfs/dbraw/zinc/38/62/35/356386235.db2.gz HCAOEBNALRBSSK-BDAKNGLRSA-N 2 2 265.365 -0.137 20 0 CBADLP CC[N@H+]1CC[C@H](N(C)c2nc(N)nc(N)[nH+]2)[C@H](C)C1 ZINC000623991414 356386238 /nfs/dbraw/zinc/38/62/38/356386238.db2.gz HCAOEBNALRBSSK-BDAKNGLRSA-N 2 2 265.365 -0.137 20 0 CBADLP CC[N@@H+]1CC[C@@H](N(C)c2nc(N)nc(N)[nH+]2)[C@@H](C)C1 ZINC000623991415 356386318 /nfs/dbraw/zinc/38/63/18/356386318.db2.gz HCAOEBNALRBSSK-DTWKUNHWSA-N 2 2 265.365 -0.137 20 0 CBADLP CC[N@H+]1CC[C@@H](N(C)c2nc(N)nc(N)[nH+]2)[C@@H](C)C1 ZINC000623991415 356386320 /nfs/dbraw/zinc/38/63/20/356386320.db2.gz HCAOEBNALRBSSK-DTWKUNHWSA-N 2 2 265.365 -0.137 20 0 CBADLP CC(C)OCC[NH+]1CCC(Nc2nc(N)nc(N)[nH+]2)CC1 ZINC000624016710 356389234 /nfs/dbraw/zinc/38/92/34/356389234.db2.gz CKXPMSNWTUHNPK-UHFFFAOYSA-N 2 2 295.391 -0.580 20 0 CBADLP C[C@@H]1CCN(c2nc(N)[nH+]c(N)n2)C[C@@H]1n1cc[nH+]c1 ZINC000624035244 356390207 /nfs/dbraw/zinc/39/02/07/356390207.db2.gz RAMKLMUCJFIGRN-BDAKNGLRSA-N 2 2 274.332 -0.019 20 0 CBADLP Cc1cc[nH+]c(N2CCN(c3nc(N)[nH+]c(N)n3)CC2)c1 ZINC000624044605 356392679 /nfs/dbraw/zinc/39/26/79/356392679.db2.gz SZFINLNYZYQAFZ-UHFFFAOYSA-N 2 2 286.343 -0.273 20 0 CBADLP Cc1cc[nH+]c(N2CCN(c3nc(N)nc(N)[nH+]3)CC2)c1 ZINC000624044605 356392685 /nfs/dbraw/zinc/39/26/85/356392685.db2.gz SZFINLNYZYQAFZ-UHFFFAOYSA-N 2 2 286.343 -0.273 20 0 CBADLP CC1([NH+]2CCOCC2)CCN(c2nc(N)[nH+]c(N)n2)CC1 ZINC000624605205 356426834 /nfs/dbraw/zinc/42/68/34/356426834.db2.gz DNHYLEVTQPTWQE-UHFFFAOYSA-N 2 2 293.375 -0.612 20 0 CBADLP CC1([NH+]2CCOCC2)CCN(c2nc(N)nc(N)[nH+]2)CC1 ZINC000624605205 356426839 /nfs/dbraw/zinc/42/68/39/356426839.db2.gz DNHYLEVTQPTWQE-UHFFFAOYSA-N 2 2 293.375 -0.612 20 0 CBADLP C[N@@H+]1CC[C@@H]2CN(C(=O)NC[C@@H]3COCC[NH+]3C)C[C@@H]21 ZINC000624729347 356436235 /nfs/dbraw/zinc/43/62/35/356436235.db2.gz FTRPBQMUQZAQQW-UPJWGTAASA-N 2 2 282.388 -0.338 20 0 CBADLP C[N@H+]1CC[C@@H]2CN(C(=O)NC[C@@H]3COCC[NH+]3C)C[C@@H]21 ZINC000624729347 356436239 /nfs/dbraw/zinc/43/62/39/356436239.db2.gz FTRPBQMUQZAQQW-UPJWGTAASA-N 2 2 282.388 -0.338 20 0 CBADLP C[NH+]1CC[C@@H]2CN(C(=O)NC[C@@H]3COCC[N@@H+]3C)C[C@@H]21 ZINC000624729347 356436242 /nfs/dbraw/zinc/43/62/42/356436242.db2.gz FTRPBQMUQZAQQW-UPJWGTAASA-N 2 2 282.388 -0.338 20 0 CBADLP C[NH+]1CC[C@@H]2CN(C(=O)NC[C@@H]3COCC[N@H+]3C)C[C@@H]21 ZINC000624729347 356436245 /nfs/dbraw/zinc/43/62/45/356436245.db2.gz FTRPBQMUQZAQQW-UPJWGTAASA-N 2 2 282.388 -0.338 20 0 CBADLP Cn1c[nH+]cc1CC[NH+]1CCN(c2nccnn2)CC1 ZINC000625646723 356484016 /nfs/dbraw/zinc/48/40/16/356484016.db2.gz SYAVTZNBOFKLKH-UHFFFAOYSA-N 2 2 273.344 -0.030 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000626139953 356513331 /nfs/dbraw/zinc/51/33/31/356513331.db2.gz GTDRRAFJYFGZBV-IGQOVBAYSA-N 2 2 272.389 -0.229 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000626139953 356513336 /nfs/dbraw/zinc/51/33/36/356513336.db2.gz GTDRRAFJYFGZBV-IGQOVBAYSA-N 2 2 272.389 -0.229 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000626139953 356513340 /nfs/dbraw/zinc/51/33/40/356513340.db2.gz GTDRRAFJYFGZBV-IGQOVBAYSA-N 2 2 272.389 -0.229 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000626139953 356513345 /nfs/dbraw/zinc/51/33/45/356513345.db2.gz GTDRRAFJYFGZBV-IGQOVBAYSA-N 2 2 272.389 -0.229 20 0 CBADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)CC1(C)COC1 ZINC000625795494 356493921 /nfs/dbraw/zinc/49/39/21/356493921.db2.gz XWPPUPQHQNBPJI-UHFFFAOYSA-N 2 2 255.362 -0.271 20 0 CBADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)CC1(C)COC1 ZINC000625795494 356493925 /nfs/dbraw/zinc/49/39/25/356493925.db2.gz XWPPUPQHQNBPJI-UHFFFAOYSA-N 2 2 255.362 -0.271 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626039814 356504210 /nfs/dbraw/zinc/50/42/10/356504210.db2.gz PEQQJJMKXMNWGI-GRYCIOLGSA-N 2 2 273.377 -0.879 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626039814 356504213 /nfs/dbraw/zinc/50/42/13/356504213.db2.gz PEQQJJMKXMNWGI-GRYCIOLGSA-N 2 2 273.377 -0.879 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626039814 356504215 /nfs/dbraw/zinc/50/42/15/356504215.db2.gz PEQQJJMKXMNWGI-GRYCIOLGSA-N 2 2 273.377 -0.879 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626039814 356504218 /nfs/dbraw/zinc/50/42/18/356504218.db2.gz PEQQJJMKXMNWGI-GRYCIOLGSA-N 2 2 273.377 -0.879 20 0 CBADLP O=C(NCCCn1cc[nH+]c1)NC[C@H]1COCC[NH2+]1 ZINC000626918231 356556396 /nfs/dbraw/zinc/55/63/96/356556396.db2.gz VXVHYXJXWAZZSD-NSHDSACASA-N 2 2 267.333 -0.439 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)NCCC[NH2+]C1CC1 ZINC000627063847 356571394 /nfs/dbraw/zinc/57/13/94/356571394.db2.gz LRYNRKMGLIXNQU-GFCCVEGCSA-N 2 2 270.377 -0.242 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)NCCC[NH2+]C1CC1 ZINC000627063847 356571395 /nfs/dbraw/zinc/57/13/95/356571395.db2.gz LRYNRKMGLIXNQU-GFCCVEGCSA-N 2 2 270.377 -0.242 20 0 CBADLP CC(C)C[C@H](C[NH3+])NC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000627080609 356577562 /nfs/dbraw/zinc/57/75/62/356577562.db2.gz MBFOFPLNDPVYBE-VXGBXAGGSA-N 2 2 272.393 -0.010 20 0 CBADLP CC(C)C[C@H](C[NH3+])NC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000627080609 356577565 /nfs/dbraw/zinc/57/75/65/356577565.db2.gz MBFOFPLNDPVYBE-VXGBXAGGSA-N 2 2 272.393 -0.010 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000627083031 356578345 /nfs/dbraw/zinc/57/83/45/356578345.db2.gz NKLOEWIRDXJURF-WDEREUQCSA-N 2 2 256.350 -0.647 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000627083031 356578346 /nfs/dbraw/zinc/57/83/46/356578346.db2.gz NKLOEWIRDXJURF-WDEREUQCSA-N 2 2 256.350 -0.647 20 0 CBADLP C[C@H](CCC[NH3+])NC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000627096348 356582144 /nfs/dbraw/zinc/58/21/44/356582144.db2.gz UHMKTDWFNAYTJG-GHMZBOCLSA-N 2 2 258.366 -0.256 20 0 CBADLP C[C@H](CCC[NH3+])NC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000627096348 356582148 /nfs/dbraw/zinc/58/21/48/356582148.db2.gz UHMKTDWFNAYTJG-GHMZBOCLSA-N 2 2 258.366 -0.256 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000627101730 356582723 /nfs/dbraw/zinc/58/27/23/356582723.db2.gz DVSFFJAXVAVEKH-UTUOFQBUSA-N 2 2 270.377 -0.256 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000627101730 356582724 /nfs/dbraw/zinc/58/27/24/356582724.db2.gz DVSFFJAXVAVEKH-UTUOFQBUSA-N 2 2 270.377 -0.256 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)NCC12CC(C1)C[NH2+]2 ZINC000627117455 356585844 /nfs/dbraw/zinc/58/58/44/356585844.db2.gz WEBCAXJYPRIZBC-QWKFWESOSA-N 2 2 268.361 -0.632 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)NCC12CC(C1)C[NH2+]2 ZINC000627117455 356585845 /nfs/dbraw/zinc/58/58/45/356585845.db2.gz WEBCAXJYPRIZBC-QWKFWESOSA-N 2 2 268.361 -0.632 20 0 CBADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000627245099 356610944 /nfs/dbraw/zinc/61/09/44/356610944.db2.gz LEUDEJWCVZWURB-GARJFASQSA-N 3 2 255.366 -0.979 20 0 CBADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000627245099 356610946 /nfs/dbraw/zinc/61/09/46/356610946.db2.gz LEUDEJWCVZWURB-GARJFASQSA-N 3 2 255.366 -0.979 20 0 CBADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000627246154 356611022 /nfs/dbraw/zinc/61/10/22/356611022.db2.gz XBXNBEBWZNRENS-YNEHKIRRSA-N 2 2 282.388 -0.147 20 0 CBADLP C[C@H]1CN(C(=O)CCc2c[nH+]cn2C)CC[N@@H+]1CCO ZINC000328844906 202081658 /nfs/dbraw/zinc/08/16/58/202081658.db2.gz QCHWMSWNMOGKAL-LBPRGKRZSA-N 2 2 280.372 -0.122 20 0 CBADLP C[C@H]1CN(C(=O)CCc2c[nH+]cn2C)CC[N@H+]1CCO ZINC000328844906 202081661 /nfs/dbraw/zinc/08/16/61/202081661.db2.gz QCHWMSWNMOGKAL-LBPRGKRZSA-N 2 2 280.372 -0.122 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000627182673 356595651 /nfs/dbraw/zinc/59/56/51/356595651.db2.gz JBEJYDHJERPQAQ-NWDGAFQWSA-N 2 2 286.376 -0.924 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000627182673 356595654 /nfs/dbraw/zinc/59/56/54/356595654.db2.gz JBEJYDHJERPQAQ-NWDGAFQWSA-N 2 2 286.376 -0.924 20 0 CBADLP C[C@@H]1CC[C@H](NC(=O)NC[C@H]2COCC[N@@H+]2C)C[NH2+]1 ZINC000627183625 356595883 /nfs/dbraw/zinc/59/58/83/356595883.db2.gz WLGJSYIYDNZZIC-WOPDTQHZSA-N 2 2 270.377 -0.243 20 0 CBADLP C[C@@H]1CC[C@H](NC(=O)NC[C@H]2COCC[N@H+]2C)C[NH2+]1 ZINC000627183625 356595888 /nfs/dbraw/zinc/59/58/88/356595888.db2.gz WLGJSYIYDNZZIC-WOPDTQHZSA-N 2 2 270.377 -0.243 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000627183133 356596018 /nfs/dbraw/zinc/59/60/18/356596018.db2.gz GYOGZAOWPYDUMK-VXGBXAGGSA-N 2 2 270.377 -0.160 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000627183133 356596024 /nfs/dbraw/zinc/59/60/24/356596024.db2.gz GYOGZAOWPYDUMK-VXGBXAGGSA-N 2 2 270.377 -0.160 20 0 CBADLP C[C@@H]1CN(C(=O)NC[C@H]2COCC[N@@H+]2C)[C@H](C)C[NH2+]1 ZINC000627183200 356596399 /nfs/dbraw/zinc/59/63/99/356596399.db2.gz HXHULEKAEDJEQG-UTUOFQBUSA-N 2 2 270.377 -0.291 20 0 CBADLP C[C@@H]1CN(C(=O)NC[C@H]2COCC[N@H+]2C)[C@H](C)C[NH2+]1 ZINC000627183200 356596402 /nfs/dbraw/zinc/59/64/02/356596402.db2.gz HXHULEKAEDJEQG-UTUOFQBUSA-N 2 2 270.377 -0.291 20 0 CBADLP C[C@@H]1CN(C(=O)NC[C@H]2COCC[N@@H+]2C)CC[C@@H]1[NH3+] ZINC000627183790 356596506 /nfs/dbraw/zinc/59/65/06/356596506.db2.gz MXPDMLNCPLWSEY-WOPDTQHZSA-N 2 2 270.377 -0.304 20 0 CBADLP C[C@@H]1CN(C(=O)NC[C@H]2COCC[N@H+]2C)CC[C@@H]1[NH3+] ZINC000627183790 356596510 /nfs/dbraw/zinc/59/65/10/356596510.db2.gz MXPDMLNCPLWSEY-WOPDTQHZSA-N 2 2 270.377 -0.304 20 0 CBADLP C[C@@H]1CC[C@H](NC(=O)NC[C@@H]2COCC[N@@H+]2C)C[NH2+]1 ZINC000627183621 356596659 /nfs/dbraw/zinc/59/66/59/356596659.db2.gz WLGJSYIYDNZZIC-GRYCIOLGSA-N 2 2 270.377 -0.243 20 0 CBADLP C[C@@H]1CC[C@H](NC(=O)NC[C@@H]2COCC[N@H+]2C)C[NH2+]1 ZINC000627183621 356596662 /nfs/dbraw/zinc/59/66/62/356596662.db2.gz WLGJSYIYDNZZIC-GRYCIOLGSA-N 2 2 270.377 -0.243 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000627184016 356597108 /nfs/dbraw/zinc/59/71/08/356597108.db2.gz QNQVPLNMDCGWBJ-OLZOCXBDSA-N 2 2 282.388 -0.147 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000627184016 356597114 /nfs/dbraw/zinc/59/71/14/356597114.db2.gz QNQVPLNMDCGWBJ-OLZOCXBDSA-N 2 2 282.388 -0.147 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000627183955 356597167 /nfs/dbraw/zinc/59/71/67/356597167.db2.gz PRFHZGHBWWKAPQ-GRYCIOLGSA-N 2 2 268.361 -0.822 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000627183955 356597172 /nfs/dbraw/zinc/59/71/72/356597172.db2.gz PRFHZGHBWWKAPQ-GRYCIOLGSA-N 2 2 268.361 -0.822 20 0 CBADLP Cc1cn2c([nH+]1)CN(C(=O)NC[C@@H]1COCC[NH2+]1)CC2 ZINC000627187661 356600242 /nfs/dbraw/zinc/60/02/42/356600242.db2.gz PPJGLWNZTLKJAI-LLVKDONJSA-N 2 2 279.344 -0.295 20 0 CBADLP C[C@H]1CC[C@H](NC(=O)NCC[NH+]2CCOCC2)C[NH2+]1 ZINC000627193325 356603567 /nfs/dbraw/zinc/60/35/67/356603567.db2.gz IAXLJXYIURHZMT-RYUDHWBXSA-N 2 2 270.377 -0.242 20 0 CBADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCCCCn1cc[nH+]c1 ZINC000627292774 356621162 /nfs/dbraw/zinc/62/11/62/356621162.db2.gz CZVINWHIOTYCHS-NWDGAFQWSA-N 2 2 293.371 -0.354 20 0 CBADLP C[C@@H]1CC[C@H](NC(=O)C(=O)NCc2[nH+]ccn2C)C[NH2+]1 ZINC000627379314 356636447 /nfs/dbraw/zinc/63/64/47/356636447.db2.gz IGVXCWALCSOULL-ZJUUUORDSA-N 2 2 279.344 -0.707 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000627646432 356667617 /nfs/dbraw/zinc/66/76/17/356667617.db2.gz OGYXBDQRKPOMFK-JYAVWHMHSA-N 2 2 296.415 -0.539 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000627646432 356667620 /nfs/dbraw/zinc/66/76/20/356667620.db2.gz OGYXBDQRKPOMFK-JYAVWHMHSA-N 2 2 296.415 -0.539 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)NC2CC([NH+]3CCOCC3)C2)C1 ZINC000627934046 356680867 /nfs/dbraw/zinc/68/08/67/356680867.db2.gz MVZXXBLLNYVAEI-WXRRBKDZSA-N 2 2 283.372 -0.704 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)NC2CC([NH+]3CCOCC3)C2)C1 ZINC000627934046 356680868 /nfs/dbraw/zinc/68/08/68/356680868.db2.gz MVZXXBLLNYVAEI-WXRRBKDZSA-N 2 2 283.372 -0.704 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)CCCC[NH+]1CCOCC1 ZINC000628916407 356739257 /nfs/dbraw/zinc/73/92/57/356739257.db2.gz YLKVTFDGYRVHRP-AWEZNQCLSA-N 2 2 299.415 -0.064 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)CCCC[NH+]1CCOCC1 ZINC000628916407 356739259 /nfs/dbraw/zinc/73/92/59/356739259.db2.gz YLKVTFDGYRVHRP-AWEZNQCLSA-N 2 2 299.415 -0.064 20 0 CBADLP C[C@H]([C@@H]1CCC[NH2+]C1)[N@@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000629547585 356778955 /nfs/dbraw/zinc/77/89/55/356778955.db2.gz UNKYQBYJNCZFBC-UTUOFQBUSA-N 2 2 255.362 -0.049 20 0 CBADLP C[C@H]([C@@H]1CCC[NH2+]C1)[N@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000629547585 356778958 /nfs/dbraw/zinc/77/89/58/356778958.db2.gz UNKYQBYJNCZFBC-UTUOFQBUSA-N 2 2 255.362 -0.049 20 0 CBADLP NC(=O)c1ccc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)cn1 ZINC000629562232 356779354 /nfs/dbraw/zinc/77/93/54/356779354.db2.gz CIBYHXKFXQCNMX-GFCCVEGCSA-N 2 2 278.356 -0.273 20 0 CBADLP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000629560605 356779582 /nfs/dbraw/zinc/77/95/82/356779582.db2.gz LUXRITSGVHPACX-LSDHHAIUSA-N 3 2 284.448 -0.331 20 0 CBADLP CC(C)(C(=O)NCC[N@@H+]1CC[C@@H](O)C1)c1c[nH]c[nH+]1 ZINC000629170899 356750862 /nfs/dbraw/zinc/75/08/62/356750862.db2.gz ZUEUTHHPYACSLL-SNVBAGLBSA-N 2 2 266.345 -0.130 20 0 CBADLP CC(C)(C(=O)NCC[N@H+]1CC[C@@H](O)C1)c1c[nH]c[nH+]1 ZINC000629170899 356750866 /nfs/dbraw/zinc/75/08/66/356750866.db2.gz ZUEUTHHPYACSLL-SNVBAGLBSA-N 2 2 266.345 -0.130 20 0 CBADLP CC(C)(C(=O)NCC[N@@H+]1CC[C@@H](O)C1)c1c[nH+]c[nH]1 ZINC000629170899 356750870 /nfs/dbraw/zinc/75/08/70/356750870.db2.gz ZUEUTHHPYACSLL-SNVBAGLBSA-N 2 2 266.345 -0.130 20 0 CBADLP CC(C)(C(=O)NCC[N@H+]1CC[C@@H](O)C1)c1c[nH+]c[nH]1 ZINC000629170899 356750873 /nfs/dbraw/zinc/75/08/73/356750873.db2.gz ZUEUTHHPYACSLL-SNVBAGLBSA-N 2 2 266.345 -0.130 20 0 CBADLP C[C@H](C(=O)NCC[N@@H+]1CC[C@@H](O)C1)[NH+]1CCSCC1 ZINC000629172769 356752354 /nfs/dbraw/zinc/75/23/54/356752354.db2.gz GCQOXTVZRQNYIZ-VXGBXAGGSA-N 2 2 287.429 -0.394 20 0 CBADLP C[C@H](C(=O)NCC[N@H+]1CC[C@@H](O)C1)[NH+]1CCSCC1 ZINC000629172769 356752357 /nfs/dbraw/zinc/75/23/57/356752357.db2.gz GCQOXTVZRQNYIZ-VXGBXAGGSA-N 2 2 287.429 -0.394 20 0 CBADLP C[C@@H](C[C@@H]1COCC[NH2+]1)NCC[N@@H+]1CC[C@H](O)C1 ZINC000629556760 356779965 /nfs/dbraw/zinc/77/99/65/356779965.db2.gz YJDWYPYQFZWULF-XQQFMLRXSA-N 2 2 257.378 -0.590 20 0 CBADLP C[C@@H](C[C@@H]1COCC[NH2+]1)NCC[N@H+]1CC[C@H](O)C1 ZINC000629556760 356779967 /nfs/dbraw/zinc/77/99/67/356779967.db2.gz YJDWYPYQFZWULF-XQQFMLRXSA-N 2 2 257.378 -0.590 20 0 CBADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCN1CC[C@H](O)C1 ZINC000629556760 356779970 /nfs/dbraw/zinc/77/99/70/356779970.db2.gz YJDWYPYQFZWULF-XQQFMLRXSA-N 2 2 257.378 -0.590 20 0 CBADLP C[NH2+]CCOCC[N@H+](C)Cc1coc(S(N)(=O)=O)c1 ZINC000629572332 356780472 /nfs/dbraw/zinc/78/04/72/356780472.db2.gz QMZOFTXVWWVFDD-UHFFFAOYSA-N 2 2 291.373 -0.405 20 0 CBADLP C[NH2+]CCOCC[N@@H+](C)Cc1coc(S(N)(=O)=O)c1 ZINC000629572332 356780476 /nfs/dbraw/zinc/78/04/76/356780476.db2.gz QMZOFTXVWWVFDD-UHFFFAOYSA-N 2 2 291.373 -0.405 20 0 CBADLP C[C@H]1CC[C@H]([NH2+]Cc2cn(C)c(=O)n(C)c2=O)C[NH2+]1 ZINC000629394479 356770553 /nfs/dbraw/zinc/77/05/53/356770553.db2.gz IQHXOWNAWSSOLI-ONGXEEELSA-N 2 2 266.345 -0.686 20 0 CBADLP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)[C@@H]1CN(C)CCO1 ZINC000629570109 356781019 /nfs/dbraw/zinc/78/10/19/356781019.db2.gz IASHRCNDFGAHPO-MJBXVCDLSA-N 2 2 271.405 -0.248 20 0 CBADLP C[C@H](NC[C@@H](O)C[NH+]1CCCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000629570109 356781020 /nfs/dbraw/zinc/78/10/20/356781020.db2.gz IASHRCNDFGAHPO-MJBXVCDLSA-N 2 2 271.405 -0.248 20 0 CBADLP C[C@H](NC[C@@H](O)C[NH+]1CCCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000629570109 356781023 /nfs/dbraw/zinc/78/10/23/356781023.db2.gz IASHRCNDFGAHPO-MJBXVCDLSA-N 2 2 271.405 -0.248 20 0 CBADLP NC(=O)[C@H]1C[C@H]([NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000629524688 356775621 /nfs/dbraw/zinc/77/56/21/356775621.db2.gz TXILOTCLVQTNTP-DDHJBXDOSA-N 2 2 253.346 -0.393 20 0 CBADLP C[C@H]([C@H]1CC[NH2+]C1)[NH+]1CCN(c2nccnn2)CC1 ZINC000629514036 356775907 /nfs/dbraw/zinc/77/59/07/356775907.db2.gz OXMTVLMMPGZZNE-NEPJUHHUSA-N 2 2 262.361 -0.008 20 0 CBADLP C[C@@]1(C[NH2+]Cc2cn([C@H]3CC[NH2+]C3)nn2)CC[NH2+]C1 ZINC000629668390 356788694 /nfs/dbraw/zinc/78/86/94/356788694.db2.gz UAZKXKNWXHVXJU-QWHCGFSZSA-N 3 2 264.377 -0.098 20 0 CBADLP C[C@]1(C[NH2+]Cc2cn([C@@H]3CC[NH2+]C3)nn2)CC[NH2+]C1 ZINC000629668388 356788985 /nfs/dbraw/zinc/78/89/85/356788985.db2.gz UAZKXKNWXHVXJU-OLZOCXBDSA-N 3 2 264.377 -0.098 20 0 CBADLP CCN(CC[NH3+])C(=O)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000629794119 356793296 /nfs/dbraw/zinc/79/32/96/356793296.db2.gz LZDJHCSHCXQHES-UHFFFAOYSA-N 2 2 293.371 -0.077 20 0 CBADLP CCN(CC[NH3+])C(=O)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000629801929 356795987 /nfs/dbraw/zinc/79/59/87/356795987.db2.gz DNJGEPYFKPDJTJ-LLVKDONJSA-N 2 2 293.371 -0.457 20 0 CBADLP O=C(NCC[N@H+]1CC[C@H](O)C1)C1([NH+]2CCOCC2)CCC1 ZINC000629915108 356807187 /nfs/dbraw/zinc/80/71/87/356807187.db2.gz DGHYFVLVVOBRLU-ZDUSSCGKSA-N 2 2 297.399 -0.576 20 0 CBADLP O=C(NCC[N@@H+]1CC[C@H](O)C1)C1([NH+]2CCOCC2)CCC1 ZINC000629915108 356807188 /nfs/dbraw/zinc/80/71/88/356807188.db2.gz DGHYFVLVVOBRLU-ZDUSSCGKSA-N 2 2 297.399 -0.576 20 0 CBADLP C[C@@H](C(=O)NCC[N@@H+]1CC[C@H](O)C1)[NH+]1CCSCC1 ZINC000629914753 356807348 /nfs/dbraw/zinc/80/73/48/356807348.db2.gz GCQOXTVZRQNYIZ-RYUDHWBXSA-N 2 2 287.429 -0.394 20 0 CBADLP C[C@@H](C(=O)NCC[N@H+]1CC[C@H](O)C1)[NH+]1CCSCC1 ZINC000629914753 356807350 /nfs/dbraw/zinc/80/73/50/356807350.db2.gz GCQOXTVZRQNYIZ-RYUDHWBXSA-N 2 2 287.429 -0.394 20 0 CBADLP O=C(Cc1cn2c([nH+]1)CCCC2)NCC[N@H+]1CC[C@H](O)C1 ZINC000629917545 356809757 /nfs/dbraw/zinc/80/97/57/356809757.db2.gz DXCWCDXPJOPXOH-ZDUSSCGKSA-N 2 2 292.383 -0.055 20 0 CBADLP O=C(Cc1cn2c([nH+]1)CCCC2)NCC[N@@H+]1CC[C@H](O)C1 ZINC000629917545 356809761 /nfs/dbraw/zinc/80/97/61/356809761.db2.gz DXCWCDXPJOPXOH-ZDUSSCGKSA-N 2 2 292.383 -0.055 20 0 CBADLP C[N@H+](CC(=O)NCCC[NH+]1CCNC(=O)C1)C1CCC1 ZINC000629973398 356813115 /nfs/dbraw/zinc/81/31/15/356813115.db2.gz GLXMIOUNZMVWFO-UHFFFAOYSA-N 2 2 282.388 -0.591 20 0 CBADLP C[N@@H+](CC(=O)NCCC[NH+]1CCNC(=O)C1)C1CCC1 ZINC000629973398 356813117 /nfs/dbraw/zinc/81/31/17/356813117.db2.gz GLXMIOUNZMVWFO-UHFFFAOYSA-N 2 2 282.388 -0.591 20 0 CBADLP C[NH+](CC(=O)NCCC[N@@H+]1CCNC(=O)C1)C1CCC1 ZINC000629973398 356813119 /nfs/dbraw/zinc/81/31/19/356813119.db2.gz GLXMIOUNZMVWFO-UHFFFAOYSA-N 2 2 282.388 -0.591 20 0 CBADLP C[NH+](CC(=O)NCCC[N@H+]1CCNC(=O)C1)C1CCC1 ZINC000629973398 356813120 /nfs/dbraw/zinc/81/31/20/356813120.db2.gz GLXMIOUNZMVWFO-UHFFFAOYSA-N 2 2 282.388 -0.591 20 0 CBADLP O[C@@H](C[NH2+]CCC[NH+]1CCC(O)CC1)C[NH+]1CCCC1 ZINC000629582389 356782360 /nfs/dbraw/zinc/78/23/60/356782360.db2.gz BMYDJXUIZLLODP-HNNXBMFYSA-N 3 2 285.432 -0.121 20 0 CBADLP CCN1CC[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)C1=O ZINC000629581393 356783124 /nfs/dbraw/zinc/78/31/24/356783124.db2.gz YYYFCURZOYTNTI-RYUDHWBXSA-N 2 2 255.362 -0.347 20 0 CBADLP Cn1nccc1[C@@H](CO)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000629584250 356784002 /nfs/dbraw/zinc/78/40/02/356784002.db2.gz NAPNRFPCSCUJSK-NWDGAFQWSA-N 2 2 268.361 -0.500 20 0 CBADLP CS(=O)(=O)NC[C@@H]1COCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000629586056 356784319 /nfs/dbraw/zinc/78/43/19/356784319.db2.gz JQVXYEZXFXXNLA-NWDGAFQWSA-N 2 2 291.417 -0.764 20 0 CBADLP CS(=O)(=O)NC[C@@H]1COCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000629586056 356784320 /nfs/dbraw/zinc/78/43/20/356784320.db2.gz JQVXYEZXFXXNLA-NWDGAFQWSA-N 2 2 291.417 -0.764 20 0 CBADLP CC(=O)NC[C@@H]1CCCC[N@@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000629595488 356784887 /nfs/dbraw/zinc/78/48/87/356784887.db2.gz QHWXNEIDTDYJTG-STQMWFEESA-N 2 2 255.362 -0.035 20 0 CBADLP CC(=O)NC[C@@H]1CCCC[N@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000629595488 356784889 /nfs/dbraw/zinc/78/48/89/356784889.db2.gz QHWXNEIDTDYJTG-STQMWFEESA-N 2 2 255.362 -0.035 20 0 CBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CC1(C[NH3+])CC1 ZINC000629606326 356785695 /nfs/dbraw/zinc/78/56/95/356785695.db2.gz FPXBJDGSWOFQFI-LBPRGKRZSA-N 2 2 285.388 -0.733 20 0 CBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CC[C@H]1CC[NH2+]C1 ZINC000629606789 356785716 /nfs/dbraw/zinc/78/57/16/356785716.db2.gz MKGCVKFKOVGDQF-UONOGXRCSA-N 2 2 299.415 -0.472 20 0 CBADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000629606358 356785822 /nfs/dbraw/zinc/78/58/22/356785822.db2.gz GJORPTYFOKXILS-MCIONIFRSA-N 2 2 299.415 -0.474 20 0 CBADLP CC[C@H]([NH2+]C)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000629607109 356785960 /nfs/dbraw/zinc/78/59/60/356785960.db2.gz PFBXAMSKLCDRDL-NEPJUHHUSA-N 2 2 273.377 -0.864 20 0 CBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C1(C[NH3+])CCCC1 ZINC000629607085 356786090 /nfs/dbraw/zinc/78/60/90/356786090.db2.gz KTOBHWFINSAOEI-CYBMUJFWSA-N 2 2 299.415 -0.343 20 0 CBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H]([NH3+])C1CCC1 ZINC000629606630 356786227 /nfs/dbraw/zinc/78/62/27/356786227.db2.gz KFWUJUMXSNFDOL-QWHCGFSZSA-N 2 2 285.388 -0.735 20 0 CBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000629606076 356786244 /nfs/dbraw/zinc/78/62/44/356786244.db2.gz CMFZZXXGILAZGF-KCQAQPDRSA-N 2 2 297.399 -0.863 20 0 CBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000629606812 356786322 /nfs/dbraw/zinc/78/63/22/356786322.db2.gz IQBFWSJGVNYGJL-MCIONIFRSA-N 2 2 299.415 -0.345 20 0 CBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1[NH2+]CC1(C)C ZINC000629606492 356786337 /nfs/dbraw/zinc/78/63/37/356786337.db2.gz HVOXTLAAJUAPCY-NEPJUHHUSA-N 2 2 285.388 -0.864 20 0 CBADLP CC(C)[C@@H]([NH3+])C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000629607579 356787268 /nfs/dbraw/zinc/78/72/68/356787268.db2.gz OBFCZQDMYSGEMM-VXGBXAGGSA-N 2 2 273.377 -0.879 20 0 CBADLP CN(C)c1[nH+]cc(C[NH2+][C@@H]2COCC[C@H]2O)n1C ZINC000631271833 356880663 /nfs/dbraw/zinc/88/06/63/356880663.db2.gz KAJHRQVVLTVCKP-GHMZBOCLSA-N 2 2 254.334 -0.275 20 0 CBADLP C[NH+](C)CCn1cc(C(=O)N2CC[NH+](C)CC2)cn1 ZINC000630388238 356842951 /nfs/dbraw/zinc/84/29/51/356842951.db2.gz CXNRKDNSWOUPQW-UHFFFAOYSA-N 2 2 265.361 -0.168 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000630396567 356843098 /nfs/dbraw/zinc/84/30/98/356843098.db2.gz KBSYAGPZIMEHSE-NWDGAFQWSA-N 2 2 281.360 -0.363 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000630396567 356843102 /nfs/dbraw/zinc/84/31/02/356843102.db2.gz KBSYAGPZIMEHSE-NWDGAFQWSA-N 2 2 281.360 -0.363 20 0 CBADLP c1nc(NC[C@H]2COCC[NH2+]2)cc(N2CCOCC2)[nH+]1 ZINC000630531525 356850109 /nfs/dbraw/zinc/85/01/09/356850109.db2.gz BCFCKUIILVEDDM-NSHDSACASA-N 2 2 279.344 -0.287 20 0 CBADLP Cn1c(C[N@@H+]2CCCCC[C@H]([NH3+])C2)cc(=O)n(C)c1=O ZINC000631833145 356909848 /nfs/dbraw/zinc/90/98/48/356909848.db2.gz UERNANAMJKLRED-NSHDSACASA-N 2 2 280.372 -0.213 20 0 CBADLP Cn1c(C[N@H+]2CCCCC[C@H]([NH3+])C2)cc(=O)n(C)c1=O ZINC000631833145 356909852 /nfs/dbraw/zinc/90/98/52/356909852.db2.gz UERNANAMJKLRED-NSHDSACASA-N 2 2 280.372 -0.213 20 0 CBADLP O=C(C[NH2+][C@]12CCC[C@@H]1C[NH2+]C2)N1CCOCC1 ZINC000631870917 356914554 /nfs/dbraw/zinc/91/45/54/356914554.db2.gz WEFKQANBQZLXOF-YPMHNXCESA-N 2 2 253.346 -0.423 20 0 CBADLP O=C(CC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)N1CC[NH2+]CC1 ZINC000631890989 356916110 /nfs/dbraw/zinc/91/61/10/356916110.db2.gz WTBALMHBDJMKMP-KGLIPLIRSA-N 3 2 280.416 -0.118 20 0 CBADLP O=C(CC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)N1CC[NH2+]CC1 ZINC000631890989 356916115 /nfs/dbraw/zinc/91/61/15/356916115.db2.gz WTBALMHBDJMKMP-KGLIPLIRSA-N 3 2 280.416 -0.118 20 0 CBADLP C(C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)N1CC[NH2+]CC1 ZINC000631891028 356916152 /nfs/dbraw/zinc/91/61/52/356916152.db2.gz XKZQHBNOWIIGMQ-KBPBESRZSA-N 3 2 252.406 -0.035 20 0 CBADLP C(C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)N1CC[NH2+]CC1 ZINC000631891028 356916156 /nfs/dbraw/zinc/91/61/56/356916156.db2.gz XKZQHBNOWIIGMQ-KBPBESRZSA-N 3 2 252.406 -0.035 20 0 CBADLP O=C(CC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)N1CC[NH2+]CC1 ZINC000631890991 356916674 /nfs/dbraw/zinc/91/66/74/356916674.db2.gz WTBALMHBDJMKMP-UONOGXRCSA-N 3 2 280.416 -0.118 20 0 CBADLP O=C(CC[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)N1CC[NH2+]CC1 ZINC000631890991 356916677 /nfs/dbraw/zinc/91/66/77/356916677.db2.gz WTBALMHBDJMKMP-UONOGXRCSA-N 3 2 280.416 -0.118 20 0 CBADLP CC[NH+]1CCN(S(=O)(=O)N(C)C2CC[NH2+]CC2)CC1 ZINC000631908875 356921942 /nfs/dbraw/zinc/92/19/42/356921942.db2.gz DHJHLCCLPBIHEF-UHFFFAOYSA-N 2 2 290.433 -0.448 20 0 CBADLP [NH3+]CC(F)(F)CNS(=O)(=O)CCC[NH+]1CCCC1 ZINC000631930142 356925257 /nfs/dbraw/zinc/92/52/57/356925257.db2.gz YENZOLKAQRKMKA-UHFFFAOYSA-N 2 2 285.360 -0.014 20 0 CBADLP C[NH+](C)CCCS(=O)(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000631940334 356929708 /nfs/dbraw/zinc/92/97/08/356929708.db2.gz TZLFXTXDTRYQPN-LLVKDONJSA-N 2 2 281.397 -0.099 20 0 CBADLP C[NH+](C)C1(CS(=O)(=O)NCCn2cc[nH+]c2)CC1 ZINC000631666879 356900564 /nfs/dbraw/zinc/90/05/64/356900564.db2.gz ZMXVBYRZBMZLTQ-UHFFFAOYSA-N 2 2 272.374 -0.103 20 0 CBADLP C[N@@H+]1CCO[C@@H](CS(=O)(=O)NCC[NH+]2CCCC2)C1 ZINC000631680687 356901392 /nfs/dbraw/zinc/90/13/92/356901392.db2.gz QSPTXIUBFCHHJR-GFCCVEGCSA-N 2 2 291.417 -0.668 20 0 CBADLP C[N@H+]1CCO[C@@H](CS(=O)(=O)NCC[NH+]2CCCC2)C1 ZINC000631680687 356901396 /nfs/dbraw/zinc/90/13/96/356901396.db2.gz QSPTXIUBFCHHJR-GFCCVEGCSA-N 2 2 291.417 -0.668 20 0 CBADLP Cn1c[nH+]c(CCNS(=O)(=O)CC2([NH+](C)C)CC2)c1 ZINC000632438753 356988987 /nfs/dbraw/zinc/98/89/87/356988987.db2.gz XQXXQBXUINSQFY-UHFFFAOYSA-N 2 2 286.401 -0.024 20 0 CBADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000632486044 356994591 /nfs/dbraw/zinc/99/45/91/356994591.db2.gz VCAXJLKAHNFOPJ-NSHDSACASA-N 2 2 293.371 -0.079 20 0 CBADLP C[C@H](CC[NH+](C)C)NS(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000632031513 356946031 /nfs/dbraw/zinc/94/60/31/356946031.db2.gz KYOJCHQLPXKOIA-VXGBXAGGSA-N 2 2 293.433 -0.423 20 0 CBADLP C[C@H](CC[NH+](C)C)NS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000632031513 356946036 /nfs/dbraw/zinc/94/60/36/356946036.db2.gz KYOJCHQLPXKOIA-VXGBXAGGSA-N 2 2 293.433 -0.423 20 0 CBADLP C[C@@H](NS(=O)(=O)CCC[NH+](C)C)[C@H]1C[N@H+](C)CCO1 ZINC000632123798 356952809 /nfs/dbraw/zinc/95/28/09/356952809.db2.gz JZLYRJAPPCLSQB-VXGBXAGGSA-N 2 2 293.433 -0.423 20 0 CBADLP C[C@@H](NS(=O)(=O)CCC[NH+](C)C)[C@H]1C[N@@H+](C)CCO1 ZINC000632123798 356952813 /nfs/dbraw/zinc/95/28/13/356952813.db2.gz JZLYRJAPPCLSQB-VXGBXAGGSA-N 2 2 293.433 -0.423 20 0 CBADLP C[C@@H](NS(=O)(=O)CCC[NH+](C)C)[C@@H]1C[N@H+](C)CCO1 ZINC000632123795 356953139 /nfs/dbraw/zinc/95/31/39/356953139.db2.gz JZLYRJAPPCLSQB-NEPJUHHUSA-N 2 2 293.433 -0.423 20 0 CBADLP C[C@@H](NS(=O)(=O)CCC[NH+](C)C)[C@@H]1C[N@@H+](C)CCO1 ZINC000632123795 356953141 /nfs/dbraw/zinc/95/31/41/356953141.db2.gz JZLYRJAPPCLSQB-NEPJUHHUSA-N 2 2 293.433 -0.423 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)N[C@H](CO)C[NH+]2CCOCC2)CC[N@@H+]1C ZINC000632856168 357029099 /nfs/dbraw/zinc/02/90/99/357029099.db2.gz YTKLZELLOQJCEF-MELADBBJSA-N 2 2 299.415 -0.474 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)N[C@H](CO)C[NH+]2CCOCC2)CC[N@H+]1C ZINC000632856168 357029100 /nfs/dbraw/zinc/02/91/00/357029100.db2.gz YTKLZELLOQJCEF-MELADBBJSA-N 2 2 299.415 -0.474 20 0 CBADLP C[C@@H]1CN(C(=O)C(=O)N(C)Cc2[nH]cc[nH+]2)[C@@H](C)C[NH2+]1 ZINC000633101150 357045616 /nfs/dbraw/zinc/04/56/16/357045616.db2.gz AJVMIZIXKDHZHG-ZJUUUORDSA-N 2 2 279.344 -0.423 20 0 CBADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000633107725 357047232 /nfs/dbraw/zinc/04/72/32/357047232.db2.gz WSPMLFWSACUZMM-VIFPVBQESA-N 2 2 265.317 -0.682 20 0 CBADLP C[C@H]1CN(C(=O)C(=O)N(C)Cc2[nH]cc[nH+]2)C[C@H](C)[NH2+]1 ZINC000633107334 357047387 /nfs/dbraw/zinc/04/73/87/357047387.db2.gz ZANPELPHNSPAQQ-UWVGGRQHSA-N 2 2 279.344 -0.423 20 0 CBADLP C[C@H]1CN(C(=O)C(=O)N(C)Cc2[nH]cc[nH+]2)CC[NH2+]1 ZINC000633106868 357047470 /nfs/dbraw/zinc/04/74/70/357047470.db2.gz XPNGBLAGVQZQHK-VIFPVBQESA-N 2 2 265.317 -0.812 20 0 CBADLP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)Cc2[nH]cc[nH+]2)C1 ZINC000633123608 357050763 /nfs/dbraw/zinc/05/07/63/357050763.db2.gz FXFYCWQJYRNWJS-SNVBAGLBSA-N 2 2 279.344 -0.422 20 0 CBADLP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CCn2c[nH+]cc2C1 ZINC000633149920 357052804 /nfs/dbraw/zinc/05/28/04/357052804.db2.gz XNGOPWSEJUSKBW-UWVGGRQHSA-N 2 2 277.328 -0.827 20 0 CBADLP C[NH+](C)C1(CS(=O)(=O)NCc2c[nH+]c[nH]2)CC1 ZINC000632588733 357007583 /nfs/dbraw/zinc/00/75/83/357007583.db2.gz SJQZIKYLRMMLFR-UHFFFAOYSA-N 2 2 258.347 -0.077 20 0 CBADLP C[NH+](C)C1(CS(=O)(=O)NCc2c[nH]c[nH+]2)CC1 ZINC000632588733 357007586 /nfs/dbraw/zinc/00/75/86/357007586.db2.gz SJQZIKYLRMMLFR-UHFFFAOYSA-N 2 2 258.347 -0.077 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000633481307 357069153 /nfs/dbraw/zinc/06/91/53/357069153.db2.gz UWZXNTLCWSUJTL-CYBMUJFWSA-N 2 2 280.372 -0.074 20 0 CBADLP O=c1c2c([nH]n1CCC[NH+]1CCOCC1)CC[NH2+]C2 ZINC000634616582 357124371 /nfs/dbraw/zinc/12/43/71/357124371.db2.gz QPBBSGIIJHLXCI-NSHDSACASA-N 2 2 266.345 -0.484 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)CC1(O)CCOCC1 ZINC000634705131 357127887 /nfs/dbraw/zinc/12/78/87/357127887.db2.gz VSNGFWQECIUKOG-CHWSQXEVSA-N 2 2 272.389 -0.037 20 0 CBADLP C[N@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)CC1(O)CCOCC1 ZINC000634705131 357127892 /nfs/dbraw/zinc/12/78/92/357127892.db2.gz VSNGFWQECIUKOG-CHWSQXEVSA-N 2 2 272.389 -0.037 20 0 CBADLP C[NH2+]C[C@@H](O)C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634719887 357129228 /nfs/dbraw/zinc/12/92/28/357129228.db2.gz AXNGGKZWSARGQH-HZPDHXFCSA-N 3 2 293.411 -0.207 20 0 CBADLP C[NH2+]C[C@@H](O)C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634719887 357129233 /nfs/dbraw/zinc/12/92/33/357129233.db2.gz AXNGGKZWSARGQH-HZPDHXFCSA-N 3 2 293.411 -0.207 20 0 CBADLP O[C@@H]1COC[C@H]1[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634722260 357130198 /nfs/dbraw/zinc/13/01/98/357130198.db2.gz MHLQHVKIKZVARZ-OAGGEKHMSA-N 2 2 292.379 -0.027 20 0 CBADLP O[C@@H]1COC[C@H]1[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634722260 357130201 /nfs/dbraw/zinc/13/02/01/357130201.db2.gz MHLQHVKIKZVARZ-OAGGEKHMSA-N 2 2 292.379 -0.027 20 0 CBADLP O[C@@H](C[NH2+]C1CN(c2ccncn2)C1)C[NH+]1CCCC1 ZINC000634728609 357130306 /nfs/dbraw/zinc/13/03/06/357130306.db2.gz ITQBKKXLBYLTFQ-ZDUSSCGKSA-N 2 2 277.372 -0.289 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000636558555 357289305 /nfs/dbraw/zinc/28/93/05/357289305.db2.gz WHYOMIFOMUHZDS-VXGBXAGGSA-N 2 2 293.371 -0.172 20 0 CBADLP C[C@H](C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[NH+](C)C ZINC000635991156 357245967 /nfs/dbraw/zinc/24/59/67/357245967.db2.gz JJZGWAYPUHCCAH-UTUOFQBUSA-N 2 2 255.362 -0.084 20 0 CBADLP C[C@H](C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[NH+](C)C ZINC000635991156 357245968 /nfs/dbraw/zinc/24/59/68/357245968.db2.gz JJZGWAYPUHCCAH-UTUOFQBUSA-N 2 2 255.362 -0.084 20 0 CBADLP C[C@H](C(=O)N(C)CC(=O)N1CC[NH+](C)CC1)[NH+](C)C ZINC000636314919 357279060 /nfs/dbraw/zinc/27/90/60/357279060.db2.gz OQZCRKZJOBTBEI-LLVKDONJSA-N 2 2 270.377 -0.831 20 0 CBADLP C[C@H](C(=O)N1CCCC[C@H]1C[NH3+])N1CC[NH2+]CC1=O ZINC000637817378 357370264 /nfs/dbraw/zinc/37/02/64/357370264.db2.gz VICVZMGEPBRRNF-MNOVXSKESA-N 2 2 268.361 -0.854 20 0 CBADLP C[C@H](C(=O)NC[C@@H]1CCCC[NH2+]1)N1CC[NH2+]CC1=O ZINC000637817648 357370664 /nfs/dbraw/zinc/37/06/64/357370664.db2.gz YAQGWTZSLAWWFT-MNOVXSKESA-N 2 2 268.361 -0.935 20 0 CBADLP C[NH2+][C@@H]1CCCN(C(=O)[C@H](C)N2CC[NH2+]CC2=O)C1 ZINC000637822382 357371428 /nfs/dbraw/zinc/37/14/28/357371428.db2.gz KDDLZHNPHIPUIP-WDEREUQCSA-N 2 2 268.361 -0.983 20 0 CBADLP C[C@@H]1C[C@H](C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])[C@@H](C)O1 ZINC000637863638 357378485 /nfs/dbraw/zinc/37/84/85/357378485.db2.gz FERIKSXOBFSDIC-KKOKHZNYSA-N 2 2 255.362 -0.099 20 0 CBADLP C[C@@H]1C[C@H](C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])[C@@H](C)O1 ZINC000637863638 357378490 /nfs/dbraw/zinc/37/84/90/357378490.db2.gz FERIKSXOBFSDIC-KKOKHZNYSA-N 2 2 255.362 -0.099 20 0 CBADLP O=C(NCC[N@@H+]1CCCOCC1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000637170920 357328245 /nfs/dbraw/zinc/32/82/45/357328245.db2.gz ABHRPGSALDELCK-GFCCVEGCSA-N 2 2 293.371 -0.171 20 0 CBADLP O=C(NCC[N@H+]1CCCOCC1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000637170920 357328248 /nfs/dbraw/zinc/32/82/48/357328248.db2.gz ABHRPGSALDELCK-GFCCVEGCSA-N 2 2 293.371 -0.171 20 0 CBADLP C[C@H](C(=O)N[C@@H](C[NH3+])C1CCCCC1)N1CC[NH2+]CC1=O ZINC000637844407 357376058 /nfs/dbraw/zinc/37/60/58/357376058.db2.gz NJSPCLAJGXVYMO-YPMHNXCESA-N 2 2 296.415 -0.170 20 0 CBADLP C[C@H](C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1)N1CC[NH2+]CC1=O ZINC000637848200 357376146 /nfs/dbraw/zinc/37/61/46/357376146.db2.gz NGPUOMXNGYNZTL-QJPTWQEYSA-N 2 2 282.388 -0.608 20 0 CBADLP C[NH+](C)C[C@H]1CCN(C(=O)NC[C@@H]2COCC[N@@H+]2C)C1 ZINC000637441317 357348645 /nfs/dbraw/zinc/34/86/45/357348645.db2.gz ATHSTOSCRVVJTM-CHWSQXEVSA-N 2 2 284.404 -0.090 20 0 CBADLP C[NH+](C)C[C@H]1CCN(C(=O)NC[C@@H]2COCC[N@H+]2C)C1 ZINC000637441317 357348648 /nfs/dbraw/zinc/34/86/48/357348648.db2.gz ATHSTOSCRVVJTM-CHWSQXEVSA-N 2 2 284.404 -0.090 20 0 CBADLP C[NH+](C)CC(C)(C)NC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000637441399 357348799 /nfs/dbraw/zinc/34/87/99/357348799.db2.gz LPTAZHPDTSLMGE-NSHDSACASA-N 2 2 272.393 -0.044 20 0 CBADLP C[NH+](C)CC(C)(C)NC(=O)NC[C@H]1COCC[N@H+]1C ZINC000637441399 357348800 /nfs/dbraw/zinc/34/88/00/357348800.db2.gz LPTAZHPDTSLMGE-NSHDSACASA-N 2 2 272.393 -0.044 20 0 CBADLP CN(Cc1ccccc1)C[C@H]([NH3+])C(=O)N1CC[NH2+]CC1 ZINC000637800389 357365368 /nfs/dbraw/zinc/36/53/68/357365368.db2.gz DIZKCOIYAXRHMS-AWEZNQCLSA-N 2 2 276.384 -0.123 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000638239299 357441344 /nfs/dbraw/zinc/44/13/44/357441344.db2.gz AVTCTTGCTFRCHD-GFCCVEGCSA-N 2 2 277.372 -0.233 20 0 CBADLP CCCN(C(=O)[C@@H](C)N1CC[NH2+]CC1=O)C1CC[NH2+]CC1 ZINC000638047201 357404757 /nfs/dbraw/zinc/40/47/57/357404757.db2.gz LVDWZOCTOWCRPZ-GFCCVEGCSA-N 2 2 296.415 -0.203 20 0 CBADLP CC(C)(CNC(=O)[C@]1(C)C[NH2+]CCO1)[NH+]1CCOCC1 ZINC000638048446 357405285 /nfs/dbraw/zinc/40/52/85/357405285.db2.gz DHIJRVIJOLBDNP-AWEZNQCLSA-N 2 2 285.388 -0.408 20 0 CBADLP CCC[NH+]1CCC(NC(=O)[C@@H](C)N2CC[NH2+]CC2=O)CC1 ZINC000638055964 357406205 /nfs/dbraw/zinc/40/62/05/357406205.db2.gz KROKLVNBPOQYNU-GFCCVEGCSA-N 2 2 296.415 -0.203 20 0 CBADLP CC(C)(CNC(=O)c1cnc(C[NH3+])nc1)[NH+]1CCOCC1 ZINC000638050413 357406562 /nfs/dbraw/zinc/40/65/62/357406562.db2.gz WCADNHBNCUNIFP-UHFFFAOYSA-N 2 2 293.371 -0.224 20 0 CBADLP CC[NH+](CC)[C@H]1CCN(C(=O)[C@@H](C)N2CC[NH2+]CC2=O)C1 ZINC000638059906 357407025 /nfs/dbraw/zinc/40/70/25/357407025.db2.gz PQBFVJMNGRUMEU-OLZOCXBDSA-N 2 2 296.415 -0.251 20 0 CBADLP CC(C)[NH+]1CCN(C(=O)[C@H](C)N2CC[NH2+]CC2=O)CC1 ZINC000638059075 357407841 /nfs/dbraw/zinc/40/78/41/357407841.db2.gz JVBGHVFDHUNQOY-LBPRGKRZSA-N 2 2 282.388 -0.641 20 0 CBADLP CC[N@@H+]1CCN(Cc2c[nH+]c(N)nc2N)C[C@H]1C ZINC000638057016 357407939 /nfs/dbraw/zinc/40/79/39/357407939.db2.gz TUXGURKMLWONKP-SECBINFHSA-N 2 2 250.350 -0.172 20 0 CBADLP CC[N@H+]1CCN(Cc2c[nH+]c(N)nc2N)C[C@H]1C ZINC000638057016 357407940 /nfs/dbraw/zinc/40/79/40/357407940.db2.gz TUXGURKMLWONKP-SECBINFHSA-N 2 2 250.350 -0.172 20 0 CBADLP C[C@H](C(=O)NCCCC[NH+](C)C)N1CC[NH2+]CC1=O ZINC000638067620 357408459 /nfs/dbraw/zinc/40/84/59/357408459.db2.gz SBAXDZFILYUTKF-LLVKDONJSA-N 2 2 270.377 -0.735 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638071041 357409722 /nfs/dbraw/zinc/40/97/22/357409722.db2.gz ZBGAQFYDAXLROF-ZYHUDNBSSA-N 2 2 253.346 -0.129 20 0 CBADLP C[C@@H](C(=O)N(C)C[C@H]1CCC[N@H+](C)C1)N1CC[NH2+]CC1=O ZINC000638071014 357410017 /nfs/dbraw/zinc/41/00/17/357410017.db2.gz DIAVUUBRZPWACG-STQMWFEESA-N 2 2 296.415 -0.393 20 0 CBADLP C[C@@H](C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)N1CC[NH2+]CC1=O ZINC000638071014 357410019 /nfs/dbraw/zinc/41/00/19/357410019.db2.gz DIAVUUBRZPWACG-STQMWFEESA-N 2 2 296.415 -0.393 20 0 CBADLP O=C(CN1CC[NH2+]CC1)NCCc1cn2c([nH+]1)CCCC2 ZINC000638071609 357410100 /nfs/dbraw/zinc/41/01/00/357410100.db2.gz LOBRABCSQDEGQN-UHFFFAOYSA-N 2 2 291.399 -0.217 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638071040 357410127 /nfs/dbraw/zinc/41/01/27/357410127.db2.gz ZBGAQFYDAXLROF-PWSUYJOCSA-N 2 2 253.346 -0.129 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638069777 357410137 /nfs/dbraw/zinc/41/01/37/357410137.db2.gz MNIISGCXMKZGNX-YPMHNXCESA-N 2 2 271.361 -0.798 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638070208 357410162 /nfs/dbraw/zinc/41/01/62/357410162.db2.gz PCJJSMVPHPBHFO-TZMCWYRMSA-N 2 2 285.388 -0.421 20 0 CBADLP C[C@H](C(=O)NCCCCn1cc[nH+]c1)N1CC[NH2+]CC1=O ZINC000638075177 357410920 /nfs/dbraw/zinc/41/09/20/357410920.db2.gz HAVFTNHGQIULNA-GFCCVEGCSA-N 2 2 293.371 -0.400 20 0 CBADLP C[C@H](C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)N1CC[NH2+]CC1=O ZINC000638073373 357411062 /nfs/dbraw/zinc/41/10/62/357411062.db2.gz CULBOGCTQYNHGQ-UPJWGTAASA-N 2 2 294.399 -0.450 20 0 CBADLP C[C@H](C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)N1CC[NH2+]CC1=O ZINC000638073373 357411066 /nfs/dbraw/zinc/41/10/66/357411066.db2.gz CULBOGCTQYNHGQ-UPJWGTAASA-N 2 2 294.399 -0.450 20 0 CBADLP C[C@@H](C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)N1CC[NH2+]CC1=O ZINC000638072288 357411307 /nfs/dbraw/zinc/41/13/07/357411307.db2.gz MDQMVSOXUPKHOL-NWDGAFQWSA-N 2 2 294.399 -0.593 20 0 CBADLP C[C@@H](C(=O)NC[C@H]1CC[N@H+](C2CC2)C1)N1CC[NH2+]CC1=O ZINC000638072288 357411309 /nfs/dbraw/zinc/41/13/09/357411309.db2.gz MDQMVSOXUPKHOL-NWDGAFQWSA-N 2 2 294.399 -0.593 20 0 CBADLP C[C@H](CNC(=O)[C@H](C)N1CC[NH2+]CC1=O)Cn1cc[nH+]c1 ZINC000638077394 357411908 /nfs/dbraw/zinc/41/19/08/357411908.db2.gz RWWDFPJECCJFBL-NEPJUHHUSA-N 2 2 293.371 -0.544 20 0 CBADLP C[C@@H](C(=O)NCC1CC[NH+](C)CC1)N1CC[NH2+]CC1=O ZINC000638084178 357413660 /nfs/dbraw/zinc/41/36/60/357413660.db2.gz DCXAYYOUAQHGNU-NSHDSACASA-N 2 2 282.388 -0.735 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)c2cnc(C[NH3+])nc2)CCO1 ZINC000638091803 357414563 /nfs/dbraw/zinc/41/45/63/357414563.db2.gz YZRPPAAOBDVDPS-JTQLQIEISA-N 2 2 279.344 -0.614 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)c2cnc(C[NH3+])nc2)CCO1 ZINC000638091803 357414565 /nfs/dbraw/zinc/41/45/65/357414565.db2.gz YZRPPAAOBDVDPS-JTQLQIEISA-N 2 2 279.344 -0.614 20 0 CBADLP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)C1 ZINC000638089968 357414766 /nfs/dbraw/zinc/41/47/66/357414766.db2.gz FIEWNWGIOXTOHW-OBJOEFQTSA-N 2 2 285.388 -0.410 20 0 CBADLP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCC[N@H+]2CCO[C@@H](C)C2)C1 ZINC000638089968 357414767 /nfs/dbraw/zinc/41/47/67/357414767.db2.gz FIEWNWGIOXTOHW-OBJOEFQTSA-N 2 2 285.388 -0.410 20 0 CBADLP COC[C@]1(C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)CCCC[NH2+]1 ZINC000638089786 357414827 /nfs/dbraw/zinc/41/48/27/357414827.db2.gz DDTXGPVOCRKHSN-ZFWWWQNUSA-N 2 2 299.415 -0.018 20 0 CBADLP COC[C@]1(C(=O)NCC[N@H+]2CCO[C@@H](C)C2)CCCC[NH2+]1 ZINC000638089786 357414829 /nfs/dbraw/zinc/41/48/29/357414829.db2.gz DDTXGPVOCRKHSN-ZFWWWQNUSA-N 2 2 299.415 -0.018 20 0 CBADLP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000638090286 357414895 /nfs/dbraw/zinc/41/48/95/357414895.db2.gz HMGVGMNWRXUAQQ-WFASDCNBSA-N 2 2 299.415 -0.020 20 0 CBADLP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCC[N@H+]2CCOC(C)(C)C2)C1 ZINC000638090286 357414897 /nfs/dbraw/zinc/41/48/97/357414897.db2.gz HMGVGMNWRXUAQQ-WFASDCNBSA-N 2 2 299.415 -0.020 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)[C@@]2(C)C[NH2+]CCO2)CCO1 ZINC000638091278 357414940 /nfs/dbraw/zinc/41/49/40/357414940.db2.gz STYLECRVEGABNN-WCQYABFASA-N 2 2 271.361 -0.798 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)[C@@]2(C)C[NH2+]CCO2)CCO1 ZINC000638091278 357414943 /nfs/dbraw/zinc/41/49/43/357414943.db2.gz STYLECRVEGABNN-WCQYABFASA-N 2 2 271.361 -0.798 20 0 CBADLP CC(C)[N@H+](C)CCNC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638095954 357415538 /nfs/dbraw/zinc/41/55/38/357415538.db2.gz DJSQFFUUIRHPRC-NSHDSACASA-N 2 2 270.377 -0.737 20 0 CBADLP CC(C)[N@@H+](C)CCNC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638095954 357415542 /nfs/dbraw/zinc/41/55/42/357415542.db2.gz DJSQFFUUIRHPRC-NSHDSACASA-N 2 2 270.377 -0.737 20 0 CBADLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638098137 357415998 /nfs/dbraw/zinc/41/59/98/357415998.db2.gz JSAQDHLHJNFIJG-WDEREUQCSA-N 2 2 271.361 -0.670 20 0 CBADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638098137 357416000 /nfs/dbraw/zinc/41/60/00/357416000.db2.gz JSAQDHLHJNFIJG-WDEREUQCSA-N 2 2 271.361 -0.670 20 0 CBADLP C[C@H]([C@H](C)NC(=O)[C@@]1(C)C[NH2+]CCO1)[NH+]1CCOCC1 ZINC000638098284 357416116 /nfs/dbraw/zinc/41/61/16/357416116.db2.gz AKVHTSNEVBQUMH-OUCADQQQSA-N 2 2 285.388 -0.410 20 0 CBADLP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)C1 ZINC000638099389 357416969 /nfs/dbraw/zinc/41/69/69/357416969.db2.gz UNSQHAMHCVUBFR-OBJOEFQTSA-N 2 2 285.388 -0.410 20 0 CBADLP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCC[N@H+]2CCOC[C@@H]2C)C1 ZINC000638099389 357416970 /nfs/dbraw/zinc/41/69/70/357416970.db2.gz UNSQHAMHCVUBFR-OBJOEFQTSA-N 2 2 285.388 -0.410 20 0 CBADLP COC[C@@]1(C(=O)NCC[N@@H+]2CCOC[C@H]2C)CCCC[NH2+]1 ZINC000638098838 357417069 /nfs/dbraw/zinc/41/70/69/357417069.db2.gz PQLMCCISFXSTCG-UKRRQHHQSA-N 2 2 299.415 -0.018 20 0 CBADLP COC[C@@]1(C(=O)NCC[N@H+]2CCOC[C@H]2C)CCCC[NH2+]1 ZINC000638098838 357417073 /nfs/dbraw/zinc/41/70/73/357417073.db2.gz PQLMCCISFXSTCG-UKRRQHHQSA-N 2 2 299.415 -0.018 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638099309 357417282 /nfs/dbraw/zinc/41/72/82/357417282.db2.gz SMQPGFUOXAJBAP-JSGCOSHPSA-N 2 2 285.388 -0.421 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638099309 357417283 /nfs/dbraw/zinc/41/72/83/357417283.db2.gz SMQPGFUOXAJBAP-JSGCOSHPSA-N 2 2 285.388 -0.421 20 0 CBADLP C[C@H]([C@H](C)NC(=O)[C@@]1(C[NH3+])CCCOC1)[NH+]1CCOCC1 ZINC000638102860 357417812 /nfs/dbraw/zinc/41/78/12/357417812.db2.gz WOYRFHKQKTTXBD-GZBFAFLISA-N 2 2 299.415 -0.033 20 0 CBADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638102319 357418204 /nfs/dbraw/zinc/41/82/04/357418204.db2.gz SVXRGVWEIWQIOM-QWHCGFSZSA-N 2 2 296.415 -0.203 20 0 CBADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638102319 357418209 /nfs/dbraw/zinc/41/82/09/357418209.db2.gz SVXRGVWEIWQIOM-QWHCGFSZSA-N 2 2 296.415 -0.203 20 0 CBADLP C[C@H]([C@H](C)NC(=O)CN1CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000638102133 357418574 /nfs/dbraw/zinc/41/85/74/357418574.db2.gz RZUHQFDUIFEGBW-QWHCGFSZSA-N 2 2 284.404 -0.883 20 0 CBADLP CN(C)c1[nH+]cc(CNC(=O)[C@]2(C)C[NH2+]CCO2)n1C ZINC000638109804 357420184 /nfs/dbraw/zinc/42/01/84/357420184.db2.gz HKDIHLJNKDLWBW-ZDUSSCGKSA-N 2 2 281.360 -0.519 20 0 CBADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638118017 357420750 /nfs/dbraw/zinc/42/07/50/357420750.db2.gz ZPRSOENVJDLGOF-STQMWFEESA-N 2 2 296.415 -0.203 20 0 CBADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)C2=CC[C@H]([NH3+])C2)CC1 ZINC000638124538 357422344 /nfs/dbraw/zinc/42/23/44/357422344.db2.gz DWGPWBVFSYJCCG-NSHDSACASA-N 2 2 280.372 -0.558 20 0 CBADLP Cc1[nH+]c[nH]c1CNC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638129727 357422900 /nfs/dbraw/zinc/42/29/00/357422900.db2.gz BSWQVSRPFGAAQC-VIFPVBQESA-N 2 2 265.317 -0.845 20 0 CBADLP C[C@@H](CNC(=O)[C@]1(C)C[NH2+]CCO1)CN1CC[NH+](C)CC1 ZINC000638137520 357423650 /nfs/dbraw/zinc/42/36/50/357423650.db2.gz KLJWKUXEROIEGU-ZFWWWQNUSA-N 2 2 298.431 -0.635 20 0 CBADLP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000638136011 357424075 /nfs/dbraw/zinc/42/40/75/357424075.db2.gz FRYKPJZUGNUJQA-KGLIPLIRSA-N 2 2 290.367 -0.158 20 0 CBADLP C[C@@H](C(=O)N1CCC([NH+](C)C)CC1)N1CC[NH2+]CC1=O ZINC000638141143 357424808 /nfs/dbraw/zinc/42/48/08/357424808.db2.gz HOCXLYPXQCRPOM-NSHDSACASA-N 2 2 282.388 -0.641 20 0 CBADLP C[C@@H](C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C)N1CC[NH2+]CC1=O ZINC000638158336 357428500 /nfs/dbraw/zinc/42/85/00/357428500.db2.gz PIKJZNMWIAQGGL-VWYCJHECSA-N 2 2 268.361 -0.985 20 0 CBADLP C[C@H](C(=O)NC[C@]1(C)CCC[NH2+]C1)N1CC[NH2+]CC1=O ZINC000638162900 357428586 /nfs/dbraw/zinc/42/85/86/357428586.db2.gz BJFUTPHXDXDAIT-BXUZGUMPSA-N 2 2 282.388 -0.687 20 0 CBADLP CCN(C(=O)[C@@H](C)N1CC[NH2+]CC1=O)[C@H]1CCC[NH2+]CC1 ZINC000638179066 357432400 /nfs/dbraw/zinc/43/24/00/357432400.db2.gz FAQBYDKTCFPFIP-OLZOCXBDSA-N 2 2 296.415 -0.203 20 0 CBADLP C[C@@H](C(=O)N[C@H]1CCC[NH2+]CC1)N1CC[NH2+]CC1=O ZINC000638195697 357433046 /nfs/dbraw/zinc/43/30/46/357433046.db2.gz OTUOJMRQXBJJQY-QWRGUYRKSA-N 2 2 268.361 -0.935 20 0 CBADLP C[C@H](C(=O)N1CCC(C)([NH3+])CC1)N1CC[NH2+]CC1=O ZINC000638195033 357433230 /nfs/dbraw/zinc/43/32/30/357433230.db2.gz BKLYBWLFHDEJGU-SNVBAGLBSA-N 2 2 268.361 -0.854 20 0 CBADLP C[C@@H](C(=O)N1CCC(C)([NH3+])CC1)N1CC[NH2+]CC1=O ZINC000638195032 357433443 /nfs/dbraw/zinc/43/34/43/357433443.db2.gz BKLYBWLFHDEJGU-JTQLQIEISA-N 2 2 268.361 -0.854 20 0 CBADLP C[C@H](C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1)N1CC[NH2+]CC1=O ZINC000638198667 357434468 /nfs/dbraw/zinc/43/44/68/357434468.db2.gz LABQWPRNNMVOLR-IJLUTSLNSA-N 2 2 280.372 -0.983 20 0 CBADLP C[C@@H](C(=O)N[C@@H]1CC[NH2+][C@H](C)C1)N1CC[NH2+]CC1=O ZINC000638207945 357435264 /nfs/dbraw/zinc/43/52/64/357435264.db2.gz DMBJINJACRIVGR-OUAUKWLOSA-N 2 2 268.361 -0.937 20 0 CBADLP C[C@@H](C(=O)NC1(C)CC[NH2+]CC1)N1CC[NH2+]CC1=O ZINC000638206629 357435501 /nfs/dbraw/zinc/43/55/01/357435501.db2.gz VZBRAGUFUDPBAK-JTQLQIEISA-N 2 2 268.361 -0.935 20 0 CBADLP COc1cccc([C@@H]([NH3+])C(=O)N2CC[NH+](CCO)CC2)c1 ZINC000638227033 357437487 /nfs/dbraw/zinc/43/74/87/357437487.db2.gz MBGAXSWJKXBBAU-CQSZACIVSA-N 2 2 293.367 -0.169 20 0 CBADLP CCc1c[nH]c(CC(=O)NCCOCC[NH2+]C)[nH+]1 ZINC000638573912 357496488 /nfs/dbraw/zinc/49/64/88/357496488.db2.gz MBODTQVSCRHRQS-UHFFFAOYSA-N 2 2 254.334 -0.133 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)c1ccnc(C[NH3+])c1 ZINC000638609088 357501525 /nfs/dbraw/zinc/50/15/25/357501525.db2.gz DRRBDHNIIPGTIM-GFCCVEGCSA-N 2 2 264.329 -0.399 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)c1ccnc(C[NH3+])c1 ZINC000638609088 357501526 /nfs/dbraw/zinc/50/15/26/357501526.db2.gz DRRBDHNIIPGTIM-GFCCVEGCSA-N 2 2 264.329 -0.399 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CC[NH2+]CC1(F)F ZINC000638608934 357501664 /nfs/dbraw/zinc/50/16/64/357501664.db2.gz DBOHFTOPLJDVNF-NXEZZACHSA-N 2 2 277.315 -0.322 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CC[NH2+]CC1(F)F ZINC000638608934 357501665 /nfs/dbraw/zinc/50/16/65/357501665.db2.gz DBOHFTOPLJDVNF-NXEZZACHSA-N 2 2 277.315 -0.322 20 0 CBADLP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC[C@H]2COCC[N@@H+]2C)C1(C)C ZINC000638610312 357502371 /nfs/dbraw/zinc/50/23/71/357502371.db2.gz JXXJSNJXDAQQQB-YWPYICTPSA-N 2 2 299.415 -0.034 20 0 CBADLP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC[C@H]2COCC[N@H+]2C)C1(C)C ZINC000638610312 357502376 /nfs/dbraw/zinc/50/23/76/357502376.db2.gz JXXJSNJXDAQQQB-YWPYICTPSA-N 2 2 299.415 -0.034 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000638609229 357502718 /nfs/dbraw/zinc/50/27/18/357502718.db2.gz FRHIBPUTQRREJA-GHMZBOCLSA-N 2 2 293.371 -0.453 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000638609229 357502720 /nfs/dbraw/zinc/50/27/20/357502720.db2.gz FRHIBPUTQRREJA-GHMZBOCLSA-N 2 2 293.371 -0.453 20 0 CBADLP COC[C@]1(C(=O)NC[C@@H]2COCC[N@@H+]2C)CC[NH2+]C1 ZINC000638611976 357503678 /nfs/dbraw/zinc/50/36/78/357503678.db2.gz RHZMOLINZAFKBE-YPMHNXCESA-N 2 2 271.361 -0.941 20 0 CBADLP COC[C@]1(C(=O)NC[C@@H]2COCC[N@H+]2C)CC[NH2+]C1 ZINC000638611976 357503680 /nfs/dbraw/zinc/50/36/80/357503680.db2.gz RHZMOLINZAFKBE-YPMHNXCESA-N 2 2 271.361 -0.941 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000638612033 357503896 /nfs/dbraw/zinc/50/38/96/357503896.db2.gz RYAFPENVVUSDHL-GHMZBOCLSA-N 2 2 255.362 -0.179 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000638612033 357503900 /nfs/dbraw/zinc/50/39/00/357503900.db2.gz RYAFPENVVUSDHL-GHMZBOCLSA-N 2 2 255.362 -0.179 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000638612036 357504060 /nfs/dbraw/zinc/50/40/60/357504060.db2.gz RYAFPENVVUSDHL-QWRGUYRKSA-N 2 2 255.362 -0.179 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000638612036 357504063 /nfs/dbraw/zinc/50/40/63/357504063.db2.gz RYAFPENVVUSDHL-QWRGUYRKSA-N 2 2 255.362 -0.179 20 0 CBADLP COCC1(C(=O)NC[C@H]2COCC[N@@H+]2C)CC[NH2+]CC1 ZINC000638612310 357504123 /nfs/dbraw/zinc/50/41/23/357504123.db2.gz UKRIRHOWHXLADX-LBPRGKRZSA-N 2 2 285.388 -0.551 20 0 CBADLP COCC1(C(=O)NC[C@H]2COCC[N@H+]2C)CC[NH2+]CC1 ZINC000638612310 357504125 /nfs/dbraw/zinc/50/41/25/357504125.db2.gz UKRIRHOWHXLADX-LBPRGKRZSA-N 2 2 285.388 -0.551 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000638611985 357504290 /nfs/dbraw/zinc/50/42/90/357504290.db2.gz RJEFGSNKQVGHRQ-QWRGUYRKSA-N 2 2 293.371 -0.453 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000638611985 357504292 /nfs/dbraw/zinc/50/42/92/357504292.db2.gz RJEFGSNKQVGHRQ-QWRGUYRKSA-N 2 2 293.371 -0.453 20 0 CBADLP CC[C@@]1(C(=O)NC[C@H]2COCC[N@@H+]2C)CCC[NH2+]1 ZINC000638612966 357504993 /nfs/dbraw/zinc/50/49/93/357504993.db2.gz YVBIIVJNUQLXJQ-AAEUAGOBSA-N 2 2 255.362 -0.035 20 0 CBADLP CC[C@@]1(C(=O)NC[C@H]2COCC[N@H+]2C)CCC[NH2+]1 ZINC000638612966 357504996 /nfs/dbraw/zinc/50/49/96/357504996.db2.gz YVBIIVJNUQLXJQ-AAEUAGOBSA-N 2 2 255.362 -0.035 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCC[NH2+]CC1 ZINC000638612994 357505476 /nfs/dbraw/zinc/50/54/76/357505476.db2.gz ZKWXLSWHMLPAAO-RYUDHWBXSA-N 2 2 255.362 -0.177 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCC[NH2+]CC1 ZINC000638612994 357505478 /nfs/dbraw/zinc/50/54/78/357505478.db2.gz ZKWXLSWHMLPAAO-RYUDHWBXSA-N 2 2 255.362 -0.177 20 0 CBADLP O=C(NC[C@H]1COCC[NH2+]1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000638616646 357507937 /nfs/dbraw/zinc/50/79/37/357507937.db2.gz SKUHRCUWKAOLEB-NSHDSACASA-N 2 2 287.323 -0.015 20 0 CBADLP C[C@H](C(=O)NCCC[C@H]1CCC[NH2+]1)N1CC[NH2+]CC1=O ZINC000638261738 357444695 /nfs/dbraw/zinc/44/46/95/357444695.db2.gz JEBCAFXGXNHPPG-VXGBXAGGSA-N 2 2 282.388 -0.545 20 0 CBADLP C[C@H](C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21)N1CC[NH2+]CC1=O ZINC000638265937 357446266 /nfs/dbraw/zinc/44/62/66/357446266.db2.gz HCZWVJVXEJQRGZ-GRYCIOLGSA-N 2 2 280.372 -0.983 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638275315 357448061 /nfs/dbraw/zinc/44/80/61/357448061.db2.gz MMQPGIYBKSKLKT-CQSZACIVSA-N 2 2 285.388 -0.468 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638275314 357448444 /nfs/dbraw/zinc/44/84/44/357448444.db2.gz MMQPGIYBKSKLKT-AWEZNQCLSA-N 2 2 285.388 -0.468 20 0 CBADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638284210 357451456 /nfs/dbraw/zinc/45/14/56/357451456.db2.gz PICWKOOCNKQMKQ-STQMWFEESA-N 2 2 296.415 -0.395 20 0 CBADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638284210 357451460 /nfs/dbraw/zinc/45/14/60/357451460.db2.gz PICWKOOCNKQMKQ-STQMWFEESA-N 2 2 296.415 -0.395 20 0 CBADLP C[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)N1CC[NH2+]CC1=O ZINC000638284138 357451877 /nfs/dbraw/zinc/45/18/77/357451877.db2.gz DPQZRDVQGOHXNS-UPJWGTAASA-N 2 2 294.399 -0.498 20 0 CBADLP C[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)N1CC[NH2+]CC1=O ZINC000638284138 357451882 /nfs/dbraw/zinc/45/18/82/357451882.db2.gz DPQZRDVQGOHXNS-UPJWGTAASA-N 2 2 294.399 -0.498 20 0 CBADLP O=C(CN1CC[NH2+]CC1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000638289250 357452174 /nfs/dbraw/zinc/45/21/74/357452174.db2.gz GKCDSSLSYCJFSV-ZDUSSCGKSA-N 2 2 289.383 -0.318 20 0 CBADLP C[C@H](C(=O)N(C)[C@H](C[NH3+])C1CC1)N1CC[NH2+]CC1=O ZINC000638331252 357458653 /nfs/dbraw/zinc/45/86/53/357458653.db2.gz FNSPGWZLCGFSNQ-MWLCHTKSSA-N 2 2 268.361 -0.998 20 0 CBADLP C[C@@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1)N1CC[NH2+]CC1=O ZINC000638337501 357459130 /nfs/dbraw/zinc/45/91/30/357459130.db2.gz UCTNANVACFQGAD-UHIISALHSA-N 2 2 282.388 -0.750 20 0 CBADLP CN(Cc1ccccc1)C[C@H]([NH3+])C(=O)N(C)CC[NH3+] ZINC000638343052 357460095 /nfs/dbraw/zinc/46/00/95/357460095.db2.gz JWZHZLLMEGXZNW-ZDUSSCGKSA-N 2 2 264.373 -0.137 20 0 CBADLP C[C@@H](C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1)N1CC[NH2+]CC1=O ZINC000638339139 357460301 /nfs/dbraw/zinc/46/03/01/357460301.db2.gz CWYLDSQOFZHPEL-WOPDTQHZSA-N 2 2 282.388 -0.750 20 0 CBADLP C[C@H](C(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C)N1CC[NH2+]CC1=O ZINC000638357297 357462772 /nfs/dbraw/zinc/46/27/72/357462772.db2.gz ONRKOQYOJZKUKI-XQHKEYJVSA-N 2 2 296.415 -0.362 20 0 CBADLP C[C@@H](C(=O)NCCC1CC[NH2+]CC1)N1CC[NH2+]CC1=O ZINC000638394494 357466733 /nfs/dbraw/zinc/46/67/33/357466733.db2.gz WILJJNRMNQPLJM-NSHDSACASA-N 2 2 282.388 -0.687 20 0 CBADLP C[C@H](CNC(=O)[C@]1(C)C[NH2+]CCO1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000638395913 357466908 /nfs/dbraw/zinc/46/69/08/357466908.db2.gz FWHAQFVIGMVWPW-CXTNEJHOSA-N 2 2 299.415 -0.021 20 0 CBADLP C[C@H](CNC(=O)[C@]1(C)C[NH2+]CCO1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000638395913 357466911 /nfs/dbraw/zinc/46/69/11/357466911.db2.gz FWHAQFVIGMVWPW-CXTNEJHOSA-N 2 2 299.415 -0.021 20 0 CBADLP CC(C)[C@H]([NH3+])CCNC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638426688 357473847 /nfs/dbraw/zinc/47/38/47/357473847.db2.gz FGDAKHFMCCOZNY-GHMZBOCLSA-N 2 2 270.377 -0.704 20 0 CBADLP CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)N2CC[NH2+]CC2=O)C1 ZINC000638424718 357474639 /nfs/dbraw/zinc/47/46/39/357474639.db2.gz IVFFOEARQJOJBU-NEPJUHHUSA-N 2 2 282.388 -0.593 20 0 CBADLP CCC[N@H+]1CC[C@H](NC(=O)[C@@H](C)N2CC[NH2+]CC2=O)C1 ZINC000638424718 357474643 /nfs/dbraw/zinc/47/46/43/357474643.db2.gz IVFFOEARQJOJBU-NEPJUHHUSA-N 2 2 282.388 -0.593 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+]C2CC(n3cccn3)C2)CC1 ZINC000638440670 357477271 /nfs/dbraw/zinc/47/72/71/357477271.db2.gz UQPLSWWOQJKMAY-UHFFFAOYSA-N 2 2 277.372 -0.050 20 0 CBADLP C[C@@H](C[C@H]1CCCC(=O)N1)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000638440954 357477809 /nfs/dbraw/zinc/47/78/09/357477809.db2.gz XQFLKKMCFVHEIS-QWHCGFSZSA-N 2 2 296.415 -0.203 20 0 CBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CC1([NH3+])CC1 ZINC000638444856 357478422 /nfs/dbraw/zinc/47/84/22/357478422.db2.gz BJVGKYPAGLFJCS-NSHDSACASA-N 2 2 271.361 -0.981 20 0 CBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000638445305 357478586 /nfs/dbraw/zinc/47/85/86/357478586.db2.gz FLPRNIYZMVEHBJ-OLZOCXBDSA-N 2 2 299.415 -0.474 20 0 CBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C1=CC[C@H]([NH3+])C1 ZINC000638445031 357478618 /nfs/dbraw/zinc/47/86/18/357478618.db2.gz DPOAVTLAZWPNKD-STQMWFEESA-N 2 2 283.372 -0.815 20 0 CBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000638445311 357479063 /nfs/dbraw/zinc/47/90/63/357479063.db2.gz FLPRNIYZMVEHBJ-STQMWFEESA-N 2 2 299.415 -0.474 20 0 CBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@]1(C)CCC[NH2+]1 ZINC000638445393 357479196 /nfs/dbraw/zinc/47/91/96/357479196.db2.gz FZKIDVPTFUJIFG-OCCSQVGLSA-N 2 2 285.388 -0.720 20 0 CBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CCC[NH2+]CC1 ZINC000638444868 357479269 /nfs/dbraw/zinc/47/92/69/357479269.db2.gz BNSMPVIPTVSNDG-ZIAGYGMSSA-N 2 2 299.415 -0.472 20 0 CBADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1ncnn1C ZINC000638481326 357483220 /nfs/dbraw/zinc/48/32/20/357483220.db2.gz IBHFWYIGUZHAAT-GFCCVEGCSA-N 2 2 294.403 -0.153 20 0 CBADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1ncnn1C ZINC000638481326 357483225 /nfs/dbraw/zinc/48/32/25/357483225.db2.gz IBHFWYIGUZHAAT-GFCCVEGCSA-N 2 2 294.403 -0.153 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@]12C[C@@H]1COC2(C)C ZINC000638510485 357491718 /nfs/dbraw/zinc/49/17/18/357491718.db2.gz RSRFXJIYISPMCH-NRUUGDAUSA-N 2 2 255.362 -0.051 20 0 CBADLP CCN(CC[NH3+])C(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000638516727 357493081 /nfs/dbraw/zinc/49/30/81/357493081.db2.gz HBTNDGKPMXXDFA-UHFFFAOYSA-N 2 2 258.366 -0.750 20 0 CBADLP CCN(CC[NH3+])C(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000638516727 357493085 /nfs/dbraw/zinc/49/30/85/357493085.db2.gz HBTNDGKPMXXDFA-UHFFFAOYSA-N 2 2 258.366 -0.750 20 0 CBADLP COCC[N@H+](CCc1c[nH+]cn1C)[C@H](C)C(N)=O ZINC000639481533 357573915 /nfs/dbraw/zinc/57/39/15/357573915.db2.gz WTNKMNILRYPTEL-SNVBAGLBSA-N 2 2 254.334 -0.215 20 0 CBADLP COCC[N@@H+](CCc1c[nH+]cn1C)[C@H](C)C(N)=O ZINC000639481533 357573918 /nfs/dbraw/zinc/57/39/18/357573918.db2.gz WTNKMNILRYPTEL-SNVBAGLBSA-N 2 2 254.334 -0.215 20 0 CBADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000639482487 357574377 /nfs/dbraw/zinc/57/43/77/357574377.db2.gz BMEUPLHSVLVEES-LLVKDONJSA-N 2 2 286.401 -0.024 20 0 CBADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000639482487 357574379 /nfs/dbraw/zinc/57/43/79/357574379.db2.gz BMEUPLHSVLVEES-LLVKDONJSA-N 2 2 286.401 -0.024 20 0 CBADLP C[C@@H](C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1)N1CC[NH2+]CC1=O ZINC000638639808 357514759 /nfs/dbraw/zinc/51/47/59/357514759.db2.gz NRSUZTLDVLAHMC-OUAUKWLOSA-N 2 2 268.361 -0.937 20 0 CBADLP CN(CCOCC[NH3+])C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000638672753 357518810 /nfs/dbraw/zinc/51/88/10/357518810.db2.gz JZMDFRLZLWHJBS-NSHDSACASA-N 2 2 266.345 -0.121 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H]1CO[C@@H](C2CC2)C1 ZINC000638693957 357521562 /nfs/dbraw/zinc/52/15/62/357521562.db2.gz AYLPWQPPAYEJSP-SDDRHHMPSA-N 2 2 255.362 -0.051 20 0 CBADLP C[C@H]1C[C@@H]([NH2+]Cc2cnc(N)nc2N)CC[N@@H+]1C ZINC000638707134 357523081 /nfs/dbraw/zinc/52/30/81/357523081.db2.gz IOAPWTPIQGNAGJ-WPRPVWTQSA-N 2 2 250.350 -0.126 20 0 CBADLP C[C@H]1C[C@@H]([NH2+]Cc2cnc(N)nc2N)CC[N@H+]1C ZINC000638707134 357523083 /nfs/dbraw/zinc/52/30/83/357523083.db2.gz IOAPWTPIQGNAGJ-WPRPVWTQSA-N 2 2 250.350 -0.126 20 0 CBADLP O=C(NC[C@H]1C[N@H+](Cc2ccncc2)CCO1)[C@H]1CC[NH2+]1 ZINC000638732659 357526474 /nfs/dbraw/zinc/52/64/74/357526474.db2.gz YNOUEFXGNAZXFR-UONOGXRCSA-N 2 2 290.367 -0.240 20 0 CBADLP O=C(NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1)[C@H]1CC[NH2+]1 ZINC000638732659 357526476 /nfs/dbraw/zinc/52/64/76/357526476.db2.gz YNOUEFXGNAZXFR-UONOGXRCSA-N 2 2 290.367 -0.240 20 0 CBADLP O=C(NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1)[C@H]1CC[NH2+]1 ZINC000638732660 357526483 /nfs/dbraw/zinc/52/64/83/357526483.db2.gz YNOUEFXGNAZXFR-ZIAGYGMSSA-N 2 2 290.367 -0.240 20 0 CBADLP O=C(NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1)[C@H]1CC[NH2+]1 ZINC000638732660 357526486 /nfs/dbraw/zinc/52/64/86/357526486.db2.gz YNOUEFXGNAZXFR-ZIAGYGMSSA-N 2 2 290.367 -0.240 20 0 CBADLP [NH3+]C1(C(=O)NC[C@@H]2C[N@H+](Cc3ccncc3)CCO2)CC1 ZINC000638728481 357526502 /nfs/dbraw/zinc/52/65/02/357526502.db2.gz AJNHEZITJDSSKR-CYBMUJFWSA-N 2 2 290.367 -0.110 20 0 CBADLP [NH3+]C1(C(=O)NC[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)CC1 ZINC000638728481 357526503 /nfs/dbraw/zinc/52/65/03/357526503.db2.gz AJNHEZITJDSSKR-CYBMUJFWSA-N 2 2 290.367 -0.110 20 0 CBADLP COC[C@@]1(C)CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CCO1 ZINC000638797360 357531164 /nfs/dbraw/zinc/53/11/64/357531164.db2.gz QCJQFHMSXJPYGZ-DGCLKSJQSA-N 2 2 273.377 -0.471 20 0 CBADLP C[C@H](C(=O)N1CCCCC[C@@H]([NH3+])C1)N1CC[NH2+]CC1=O ZINC000638814534 357532932 /nfs/dbraw/zinc/53/29/32/357532932.db2.gz CVGNWIDTYJCAPW-VXGBXAGGSA-N 2 2 282.388 -0.463 20 0 CBADLP C[C@H](C(=O)N1C[C@H]([NH3+])C[C@@H]1C)[NH+]1CCN(C)CC1 ZINC000638929532 357545063 /nfs/dbraw/zinc/54/50/63/357545063.db2.gz BWYINRWIBRLVAQ-QJPTWQEYSA-N 2 2 254.378 -0.430 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000638932686 357545296 /nfs/dbraw/zinc/54/52/96/357545296.db2.gz UFNWGPHYNPNEOM-WDEREUQCSA-N 2 2 270.377 -0.609 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000638932686 357545304 /nfs/dbraw/zinc/54/53/04/357545304.db2.gz UFNWGPHYNPNEOM-WDEREUQCSA-N 2 2 270.377 -0.609 20 0 CBADLP Cn1c[nH+]cc1CC[N@H+](C)C[C@H](O)CN1CCOCC1 ZINC000639528188 357576762 /nfs/dbraw/zinc/57/67/62/357576762.db2.gz PGQOMPSYBGPFAC-AWEZNQCLSA-N 2 2 282.388 -0.413 20 0 CBADLP Cn1c[nH+]cc1CC[N@@H+](C)C[C@H](O)CN1CCOCC1 ZINC000639528188 357576765 /nfs/dbraw/zinc/57/67/65/357576765.db2.gz PGQOMPSYBGPFAC-AWEZNQCLSA-N 2 2 282.388 -0.413 20 0 CBADLP Cn1cc(C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)nn1 ZINC000638984180 357548592 /nfs/dbraw/zinc/54/85/92/357548592.db2.gz JGGVEWVKHPQDJN-UHFFFAOYSA-N 2 2 287.327 -0.128 20 0 CBADLP C[C@H](C(=O)NC1(C[NH3+])CCCCC1)N1CC[NH2+]CC1=O ZINC000638997535 357549917 /nfs/dbraw/zinc/54/99/17/357549917.db2.gz JWYSBAINFFMEOQ-LLVKDONJSA-N 2 2 282.388 -0.416 20 0 CBADLP CC[N@H+](CCO)CC[NH2+]C[C@@H](OC)[C@@H]1CCOC1 ZINC000639053555 357555755 /nfs/dbraw/zinc/55/57/55/357555755.db2.gz JLEGIILILQNDKL-CHWSQXEVSA-N 2 2 260.378 -0.058 20 0 CBADLP CC[N@@H+](CCO)CC[NH2+]C[C@@H](OC)[C@@H]1CCOC1 ZINC000639053555 357555756 /nfs/dbraw/zinc/55/57/56/357555756.db2.gz JLEGIILILQNDKL-CHWSQXEVSA-N 2 2 260.378 -0.058 20 0 CBADLP C[N@@H+]1CC[C@](O)(C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000639049605 357555759 /nfs/dbraw/zinc/55/57/59/357555759.db2.gz VXEMXZCKLNDKKO-HNNXBMFYSA-N 3 2 285.432 -0.122 20 0 CBADLP C[N@H+]1CC[C@](O)(C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000639049605 357555760 /nfs/dbraw/zinc/55/57/60/357555760.db2.gz VXEMXZCKLNDKKO-HNNXBMFYSA-N 3 2 285.432 -0.122 20 0 CBADLP CC[N@H+](CCO)CC[NH2+]C[C@H](OC)[C@H]1CCOC1 ZINC000639053559 357556299 /nfs/dbraw/zinc/55/62/99/357556299.db2.gz JLEGIILILQNDKL-STQMWFEESA-N 2 2 260.378 -0.058 20 0 CBADLP CC[N@@H+](CCO)CC[NH2+]C[C@H](OC)[C@H]1CCOC1 ZINC000639053559 357556306 /nfs/dbraw/zinc/55/63/06/357556306.db2.gz JLEGIILILQNDKL-STQMWFEESA-N 2 2 260.378 -0.058 20 0 CBADLP C[C@@H](O)C(=O)N1CC[NH+](CCc2c[nH+]cn2C)CC1 ZINC000639555338 357577480 /nfs/dbraw/zinc/57/74/80/357577480.db2.gz IRBJINBLXUMRBI-LLVKDONJSA-N 2 2 266.345 -0.512 20 0 CBADLP C[NH+](C)CCN(CC[NH+](C)C)Cc1c[nH+]c(N)nc1N ZINC000639173207 357560632 /nfs/dbraw/zinc/56/06/32/357560632.db2.gz WOSAYPVYVVRLQH-UHFFFAOYSA-N 3 2 281.408 -0.773 20 0 CBADLP COCC(C)(C)[NH+]1CCN(Cc2c[nH+]c(N)nc2N)CC1 ZINC000639277744 357564947 /nfs/dbraw/zinc/56/49/47/357564947.db2.gz SYYZRANDLPOEPR-UHFFFAOYSA-N 2 2 294.403 -0.156 20 0 CBADLP CN(Cc1c[nH+]c(N)nc1N)C[C@@H]1CCC[N@@H+]1C ZINC000639298153 357566099 /nfs/dbraw/zinc/56/60/99/357566099.db2.gz WIXNNVYKDRCUIP-JTQLQIEISA-N 2 2 250.350 -0.172 20 0 CBADLP CN(Cc1c[nH+]c(N)nc1N)C[C@@H]1CCC[N@H+]1C ZINC000639298153 357566100 /nfs/dbraw/zinc/56/61/00/357566100.db2.gz WIXNNVYKDRCUIP-JTQLQIEISA-N 2 2 250.350 -0.172 20 0 CBADLP C[NH+](C)CCN1CC[N@H+](C[C@@H]2CCc3ncnn32)CC1=O ZINC000639719654 357587400 /nfs/dbraw/zinc/58/74/00/357587400.db2.gz MCRPBPLECWHWCH-LBPRGKRZSA-N 2 2 292.387 -0.529 20 0 CBADLP C[NH+](C)CCN1CC[N@@H+](C[C@@H]2CCc3ncnn32)CC1=O ZINC000639719654 357587407 /nfs/dbraw/zinc/58/74/07/357587407.db2.gz MCRPBPLECWHWCH-LBPRGKRZSA-N 2 2 292.387 -0.529 20 0 CBADLP C[NH+](C)C[C@]1(O)CCC[N@H+](CC(=O)N2CCCC2)C1 ZINC000639761724 357595845 /nfs/dbraw/zinc/59/58/45/357595845.db2.gz DJMPYGIMLQEVLK-CQSZACIVSA-N 2 2 269.389 -0.003 20 0 CBADLP C[NH+](C)C[C@]1(O)CCC[N@@H+](CC(=O)N2CCCC2)C1 ZINC000639761724 357595847 /nfs/dbraw/zinc/59/58/47/357595847.db2.gz DJMPYGIMLQEVLK-CQSZACIVSA-N 2 2 269.389 -0.003 20 0 CBADLP CCN1CC[C@H]([N@@H+]2CCC[C@@](O)(C[NH+](C)C)C2)C1=O ZINC000639761618 357595870 /nfs/dbraw/zinc/59/58/70/357595870.db2.gz GULWFKAWARFUOT-GXTWGEPZSA-N 2 2 269.389 -0.004 20 0 CBADLP CCN1CC[C@H]([N@H+]2CCC[C@@](O)(C[NH+](C)C)C2)C1=O ZINC000639761618 357595875 /nfs/dbraw/zinc/59/58/75/357595875.db2.gz GULWFKAWARFUOT-GXTWGEPZSA-N 2 2 269.389 -0.004 20 0 CBADLP C[C@H](C(=O)N(C)C)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639763955 357596422 /nfs/dbraw/zinc/59/64/22/357596422.db2.gz FBKOHAJOHHHLLY-YPMHNXCESA-N 2 2 257.378 -0.148 20 0 CBADLP C[C@H](C(=O)N(C)C)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639763955 357596423 /nfs/dbraw/zinc/59/64/23/357596423.db2.gz FBKOHAJOHHHLLY-YPMHNXCESA-N 2 2 257.378 -0.148 20 0 CBADLP C[C@H](C(=O)N(C)C)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639763953 357596471 /nfs/dbraw/zinc/59/64/71/357596471.db2.gz FBKOHAJOHHHLLY-DGCLKSJQSA-N 2 2 257.378 -0.148 20 0 CBADLP C[C@H](C(=O)N(C)C)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639763953 357596473 /nfs/dbraw/zinc/59/64/73/357596473.db2.gz FBKOHAJOHHHLLY-DGCLKSJQSA-N 2 2 257.378 -0.148 20 0 CBADLP C[NH+](C)C[C@@]1(O)CCC[N@H+](CCn2cncn2)C1 ZINC000639766773 357597504 /nfs/dbraw/zinc/59/75/04/357597504.db2.gz OSCDQJIFBRCSDX-LBPRGKRZSA-N 2 2 253.350 -0.333 20 0 CBADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CCn2cncn2)C1 ZINC000639766773 357597506 /nfs/dbraw/zinc/59/75/06/357597506.db2.gz OSCDQJIFBRCSDX-LBPRGKRZSA-N 2 2 253.350 -0.333 20 0 CBADLP C[C@]12C[NH+](CCn3cc[nH+]c3)C[C@]1(C)C(=O)NC2=O ZINC000639944012 357620456 /nfs/dbraw/zinc/62/04/56/357620456.db2.gz AUAHUGLDYNWVND-CHWSQXEVSA-N 2 2 262.313 -0.132 20 0 CBADLP O=C(CCc1[nH]cc[nH+]1)N[C@H](CO)C[NH+]1CCCC1 ZINC000640321565 357644329 /nfs/dbraw/zinc/64/43/29/357644329.db2.gz MMMUYVIGPUAHOZ-NSHDSACASA-N 2 2 266.345 -0.085 20 0 CBADLP CC[NH+]1CCN(C(=O)CNC(=O)[C@@H](C)[NH+](C)C)CC1 ZINC000640358975 357650370 /nfs/dbraw/zinc/65/03/70/357650370.db2.gz NABDHQJTMDXCHC-LLVKDONJSA-N 2 2 270.377 -0.783 20 0 CBADLP CC1(C)CN(C(=O)NCC(F)(F)C[NH3+])CC[N@@H+]1CCO ZINC000640702287 357662164 /nfs/dbraw/zinc/66/21/64/357662164.db2.gz VOJYYSAFKIBKBW-UHFFFAOYSA-N 2 2 294.346 -0.322 20 0 CBADLP CC1(C)CN(C(=O)NCC(F)(F)C[NH3+])CC[N@H+]1CCO ZINC000640702287 357662167 /nfs/dbraw/zinc/66/21/67/357662167.db2.gz VOJYYSAFKIBKBW-UHFFFAOYSA-N 2 2 294.346 -0.322 20 0 CBADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H]1CCNC(=O)CC1 ZINC000640051606 357632261 /nfs/dbraw/zinc/63/22/61/357632261.db2.gz RXLACNVRDRLWDL-ZDUSSCGKSA-N 2 2 296.415 -0.392 20 0 CBADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H]1CCNC(=O)CC1 ZINC000640051606 357632264 /nfs/dbraw/zinc/63/22/64/357632264.db2.gz RXLACNVRDRLWDL-ZDUSSCGKSA-N 2 2 296.415 -0.392 20 0 CBADLP C[N@H+](CC[C@@H]1CCNC1=O)CC(=O)N1CC[NH+](C)CC1 ZINC000640051559 357632549 /nfs/dbraw/zinc/63/25/49/357632549.db2.gz QORUDRKKWCDYRD-LBPRGKRZSA-N 2 2 282.388 -0.782 20 0 CBADLP C[N@@H+](CC[C@@H]1CCNC1=O)CC(=O)N1CC[NH+](C)CC1 ZINC000640051559 357632555 /nfs/dbraw/zinc/63/25/55/357632555.db2.gz QORUDRKKWCDYRD-LBPRGKRZSA-N 2 2 282.388 -0.782 20 0 CBADLP CNC(=O)NC[C@H]1COCC[N@@H+]1CCn1cc[nH+]c1C ZINC000640105428 357636684 /nfs/dbraw/zinc/63/66/84/357636684.db2.gz VLALTXHVCQEPSL-LBPRGKRZSA-N 2 2 281.360 -0.179 20 0 CBADLP CNC(=O)NC[C@H]1COCC[N@H+]1CCn1cc[nH+]c1C ZINC000640105428 357636685 /nfs/dbraw/zinc/63/66/85/357636685.db2.gz VLALTXHVCQEPSL-LBPRGKRZSA-N 2 2 281.360 -0.179 20 0 CBADLP C[N@@H+]1C[C@@H]2CCN(S(=O)(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC000641508667 357714679 /nfs/dbraw/zinc/71/46/79/357714679.db2.gz ROYFESLYVKOIFL-NWDGAFQWSA-N 2 2 284.385 -0.151 20 0 CBADLP C[N@H+]1C[C@@H]2CCN(S(=O)(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC000641508667 357714682 /nfs/dbraw/zinc/71/46/82/357714682.db2.gz ROYFESLYVKOIFL-NWDGAFQWSA-N 2 2 284.385 -0.151 20 0 CBADLP C[N@@H+]1CCCN(S(=O)(=O)CCn2cc[nH+]c2)CC1 ZINC000641253373 357684737 /nfs/dbraw/zinc/68/47/37/357684737.db2.gz XKUXDSFXMMLUGO-UHFFFAOYSA-N 2 2 272.374 -0.150 20 0 CBADLP C[N@H+]1CCCN(S(=O)(=O)CCn2cc[nH+]c2)CC1 ZINC000641253373 357684738 /nfs/dbraw/zinc/68/47/38/357684738.db2.gz XKUXDSFXMMLUGO-UHFFFAOYSA-N 2 2 272.374 -0.150 20 0 CBADLP C[NH+](C)CC(=O)N1CCN(c2cc(CO)cc[nH+]2)CC1 ZINC000641286428 357688053 /nfs/dbraw/zinc/68/80/53/357688053.db2.gz YPRUEYGTDYAMRO-UHFFFAOYSA-N 2 2 278.356 -0.216 20 0 CBADLP C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)CCn1cc[nH+]c1 ZINC000641395013 357699957 /nfs/dbraw/zinc/69/99/57/357699957.db2.gz WGRMOSRYKWLIMZ-NSHDSACASA-N 2 2 290.389 -0.885 20 0 CBADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)NC[C@H](C)[NH3+])CC1 ZINC000641413781 357702095 /nfs/dbraw/zinc/70/20/95/357702095.db2.gz PGFLSWKRGBMNDX-LBPRGKRZSA-N 2 2 299.419 -0.471 20 0 CBADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000641797418 357742286 /nfs/dbraw/zinc/74/22/86/357742286.db2.gz CBFWWPCLQJYDCX-CQSZACIVSA-N 3 2 291.399 -0.141 20 0 CBADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000641797418 357742290 /nfs/dbraw/zinc/74/22/90/357742290.db2.gz CBFWWPCLQJYDCX-CQSZACIVSA-N 3 2 291.399 -0.141 20 0 CBADLP Cn1cncc1CC[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000641797418 357742293 /nfs/dbraw/zinc/74/22/93/357742293.db2.gz CBFWWPCLQJYDCX-CQSZACIVSA-N 2 2 291.399 -0.141 20 0 CBADLP Cn1cncc1CC[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000641797418 357742297 /nfs/dbraw/zinc/74/22/97/357742297.db2.gz CBFWWPCLQJYDCX-CQSZACIVSA-N 2 2 291.399 -0.141 20 0 CBADLP Cn1c[nH+]cc1CC[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000641795995 357742367 /nfs/dbraw/zinc/74/23/67/357742367.db2.gz CMUAWUAEALTWDB-UHFFFAOYSA-N 3 2 265.361 -0.674 20 0 CBADLP Cn1c[nH+]cc1CC[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000641795995 357742372 /nfs/dbraw/zinc/74/23/72/357742372.db2.gz CMUAWUAEALTWDB-UHFFFAOYSA-N 3 2 265.361 -0.674 20 0 CBADLP Cn1c[nH+]cc1CC[N@H+](C)CCN1CC[NH2+]CC1 ZINC000641797249 357742641 /nfs/dbraw/zinc/74/26/41/357742641.db2.gz ZETXEPMSGLZJTI-UHFFFAOYSA-N 3 2 251.378 -0.200 20 0 CBADLP Cn1c[nH+]cc1CC[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000641797249 357742647 /nfs/dbraw/zinc/74/26/47/357742647.db2.gz ZETXEPMSGLZJTI-UHFFFAOYSA-N 3 2 251.378 -0.200 20 0 CBADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CC[NH+](C)C(C)(C)C1 ZINC000641790012 357743061 /nfs/dbraw/zinc/74/30/61/357743061.db2.gz GZXLLQCTWKXOJQ-ZDUSSCGKSA-N 2 2 297.447 -0.032 20 0 CBADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1CC[NH+](C)C(C)(C)C1 ZINC000641790012 357743068 /nfs/dbraw/zinc/74/30/68/357743068.db2.gz GZXLLQCTWKXOJQ-ZDUSSCGKSA-N 2 2 297.447 -0.032 20 0 CBADLP CN1CC[NH+](C)C[C@@H]1CNC(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000641790012 357743073 /nfs/dbraw/zinc/74/30/73/357743073.db2.gz GZXLLQCTWKXOJQ-ZDUSSCGKSA-N 2 2 297.447 -0.032 20 0 CBADLP CN1CC[NH+](C)C[C@@H]1CNC(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000641790012 357743079 /nfs/dbraw/zinc/74/30/79/357743079.db2.gz GZXLLQCTWKXOJQ-ZDUSSCGKSA-N 2 2 297.447 -0.032 20 0 CBADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)C(C)(C)C2)C[C@@H](C)[NH2+]1 ZINC000641823909 357745547 /nfs/dbraw/zinc/74/55/47/357745547.db2.gz BVSGMGACYCVCAI-VXGBXAGGSA-N 2 2 296.415 -0.252 20 0 CBADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)C(C)(C)C2)C[C@@H](C)[NH2+]1 ZINC000641823909 357745549 /nfs/dbraw/zinc/74/55/49/357745549.db2.gz BVSGMGACYCVCAI-VXGBXAGGSA-N 2 2 296.415 -0.252 20 0 CBADLP C[C@@H]([NH3+])CNC(=O)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000642789294 357763343 /nfs/dbraw/zinc/76/33/43/357763343.db2.gz ZPQXXDYJKMFHCH-ZWNOBZJWSA-N 2 2 290.367 -0.247 20 0 CBADLP C[C@@H]([NH3+])CNC(=O)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000642789294 357763349 /nfs/dbraw/zinc/76/33/49/357763349.db2.gz ZPQXXDYJKMFHCH-ZWNOBZJWSA-N 2 2 290.367 -0.247 20 0 CBADLP C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000642788780 357763754 /nfs/dbraw/zinc/76/37/54/357763754.db2.gz CGNBSLSEMVNYQB-ZWNOBZJWSA-N 2 2 290.367 -0.247 20 0 CBADLP C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000642788780 357763758 /nfs/dbraw/zinc/76/37/58/357763758.db2.gz CGNBSLSEMVNYQB-ZWNOBZJWSA-N 2 2 290.367 -0.247 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000643472255 357784089 /nfs/dbraw/zinc/78/40/89/357784089.db2.gz MQNMNNDQBHVUIL-OLZOCXBDSA-N 3 2 268.405 -0.133 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+]C2CCC(C[NH3+])CC2)CC1 ZINC000643472210 357784332 /nfs/dbraw/zinc/78/43/32/357784332.db2.gz HPCAYCYIFZLYOF-UHFFFAOYSA-N 3 2 268.405 -0.133 20 0 CBADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C3CC3)CC2)C[C@H](C)[NH2+]1 ZINC000643483875 357786223 /nfs/dbraw/zinc/78/62/23/357786223.db2.gz MOTOJNKIAJIIPS-TXEJJXNPSA-N 2 2 294.399 -0.498 20 0 CBADLP Cc1cn2c([nH+]1)CN(C(=O)C(=O)N1CC[NH2+][C@H](C)C1)CC2 ZINC000643541028 357787725 /nfs/dbraw/zinc/78/77/25/357787725.db2.gz XHSKZUYSKPPFTB-SNVBAGLBSA-N 2 2 291.355 -0.646 20 0 CBADLP NC(=O)[C@@H]1CCC[NH+]1C/C=C/C[N@H+]1CCC[C@H]1C(N)=O ZINC000246707977 283320080 /nfs/dbraw/zinc/32/00/80/283320080.db2.gz JESWDCONLJRVHT-NLMOASMRSA-N 2 2 280.372 -0.558 20 0 CBADLP NC(=O)[C@@H]1CCC[NH+]1C/C=C/C[N@@H+]1CCC[C@H]1C(N)=O ZINC000246707977 283320081 /nfs/dbraw/zinc/32/00/81/283320081.db2.gz JESWDCONLJRVHT-NLMOASMRSA-N 2 2 280.372 -0.558 20 0 CBADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000424189070 291210500 /nfs/dbraw/zinc/21/05/00/291210500.db2.gz ZMBOWCXBKOWURA-XQHKEYJVSA-N 2 2 283.372 -0.705 20 0 CBADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000424189070 291210503 /nfs/dbraw/zinc/21/05/03/291210503.db2.gz ZMBOWCXBKOWURA-XQHKEYJVSA-N 2 2 283.372 -0.705 20 0 CBADLP COCCN1CC[N@H+](CCc2c[nH+]cn2C)CC1=O ZINC000298256322 200373636 /nfs/dbraw/zinc/37/36/36/200373636.db2.gz FBQVCJHHRDAEEK-UHFFFAOYSA-N 2 2 266.345 -0.247 20 0 CBADLP COCCN1CC[N@@H+](CCc2c[nH+]cn2C)CC1=O ZINC000298256322 200373637 /nfs/dbraw/zinc/37/36/37/200373637.db2.gz FBQVCJHHRDAEEK-UHFFFAOYSA-N 2 2 266.345 -0.247 20 0 CBADLP COC(=O)[C@@H](C)[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000420316038 291234685 /nfs/dbraw/zinc/23/46/85/291234685.db2.gz XNPPZZJDUKUACF-MNOVXSKESA-N 2 2 269.345 -0.556 20 0 CBADLP COC(=O)[C@@H](C)[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000420316038 291234687 /nfs/dbraw/zinc/23/46/87/291234687.db2.gz XNPPZZJDUKUACF-MNOVXSKESA-N 2 2 269.345 -0.556 20 0 CBADLP CC(C)CNC(=O)NC(=O)C[NH2+]CC1([NH3+])CCC1 ZINC000342126722 216228687 /nfs/dbraw/zinc/22/86/87/216228687.db2.gz DZAMGVGIUVVNEO-UHFFFAOYSA-N 2 2 256.350 -0.061 20 0 CBADLP [NH3+]C1(C[NH2+]CC(=O)NC(=O)NCC(F)(F)F)CCC1 ZINC000342144630 216236406 /nfs/dbraw/zinc/23/64/06/216236406.db2.gz UXUCJUNLAMVKNJ-UHFFFAOYSA-N 2 2 282.266 -0.155 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[NH2+]CC1([NH3+])CCC1 ZINC000342153895 216240666 /nfs/dbraw/zinc/24/06/66/216240666.db2.gz IQFHJHNEUSDGOM-UHFFFAOYSA-N 2 2 270.377 -0.558 20 0 CBADLP C[C@@H]([NH3+])[C@H](C)NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000418688399 296026321 /nfs/dbraw/zinc/02/63/21/296026321.db2.gz AZFSYEJPHYQYDK-KXNHARMFSA-N 2 2 270.377 -0.116 20 0 CBADLP C[C@@H]([NH3+])[C@H](C)NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000418688399 296026323 /nfs/dbraw/zinc/02/63/23/296026323.db2.gz AZFSYEJPHYQYDK-KXNHARMFSA-N 2 2 270.377 -0.116 20 0 CBADLP CN(C)c1[nH+]cc(CNC(=O)NC[C@@H]2COCC[NH2+]2)n1C ZINC000529318663 283612191 /nfs/dbraw/zinc/61/21/91/283612191.db2.gz XTLZDMAZQLNXEW-SNVBAGLBSA-N 2 2 296.375 -0.726 20 0 CBADLP COC(=O)CNC(=O)CC[N@H+](C)CCCn1cc[nH+]c1 ZINC000181084931 189287559 /nfs/dbraw/zinc/28/75/59/189287559.db2.gz PCXBASPQTKMSKK-UHFFFAOYSA-N 2 2 282.344 -0.116 20 0 CBADLP COC(=O)CNC(=O)CC[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181084931 189287560 /nfs/dbraw/zinc/28/75/60/189287560.db2.gz PCXBASPQTKMSKK-UHFFFAOYSA-N 2 2 282.344 -0.116 20 0 CBADLP NS(=O)(=O)N1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000183177331 189348937 /nfs/dbraw/zinc/34/89/37/189348937.db2.gz CIXBZVLXIPBXKT-UHFFFAOYSA-N 2 2 273.362 -0.906 20 0 CBADLP C[C@@H](O)C[NH+]1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000275477303 193052961 /nfs/dbraw/zinc/05/29/61/193052961.db2.gz SRBIZVPKNPALAB-GFCCVEGCSA-N 2 2 266.345 -0.202 20 0 CBADLP C[C@]1(C[N@@H+]2CCCN(S(C)(=O)=O)CC2)CC[NH2+]C1 ZINC000261744167 291380271 /nfs/dbraw/zinc/38/02/71/291380271.db2.gz IUTOMAUBGSGLPS-LBPRGKRZSA-N 2 2 275.418 -0.047 20 0 CBADLP C[C@]1(C[N@H+]2CCCN(S(C)(=O)=O)CC2)CC[NH2+]C1 ZINC000261744167 291380273 /nfs/dbraw/zinc/38/02/73/291380273.db2.gz IUTOMAUBGSGLPS-LBPRGKRZSA-N 2 2 275.418 -0.047 20 0 CBADLP CC[N@H+](C)C[C@H](O)CN(C)[C@H]1CC[NH+]2CCO[C@H]1C2 ZINC000574288656 335007174 /nfs/dbraw/zinc/00/71/74/335007174.db2.gz QDLKRYSVDDECLF-IHRRRGAJSA-N 2 2 271.405 -0.296 20 0 CBADLP CC[N@@H+](C)C[C@H](O)CN(C)[C@H]1CC[NH+]2CCO[C@H]1C2 ZINC000574288656 335007175 /nfs/dbraw/zinc/00/71/75/335007175.db2.gz QDLKRYSVDDECLF-IHRRRGAJSA-N 2 2 271.405 -0.296 20 0 CBADLP CC[NH+](C)C[C@H](O)CN(C)[C@H]1CC[N@@H+]2CCO[C@H]1C2 ZINC000574288656 335007177 /nfs/dbraw/zinc/00/71/77/335007177.db2.gz QDLKRYSVDDECLF-IHRRRGAJSA-N 2 2 271.405 -0.296 20 0 CBADLP CC[NH+](C)C[C@H](O)CN(C)[C@H]1CC[N@H+]2CCO[C@H]1C2 ZINC000574288656 335007179 /nfs/dbraw/zinc/00/71/79/335007179.db2.gz QDLKRYSVDDECLF-IHRRRGAJSA-N 2 2 271.405 -0.296 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@H]1CCN2CCO[C@H]1C2 ZINC000574288656 335007180 /nfs/dbraw/zinc/00/71/80/335007180.db2.gz QDLKRYSVDDECLF-IHRRRGAJSA-N 2 2 271.405 -0.296 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@H]1CCN2CCO[C@H]1C2 ZINC000574288656 335007182 /nfs/dbraw/zinc/00/71/82/335007182.db2.gz QDLKRYSVDDECLF-IHRRRGAJSA-N 2 2 271.405 -0.296 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@H]1CCN2CCO[C@H]1C2 ZINC000574288656 335007183 /nfs/dbraw/zinc/00/71/83/335007183.db2.gz QDLKRYSVDDECLF-IHRRRGAJSA-N 2 2 271.405 -0.296 20 0 CBADLP CC[N@H+](C)C[C@@H](O)CN(C)[C@H]1CC[NH+]2CCO[C@H]1C2 ZINC000574288659 335007200 /nfs/dbraw/zinc/00/72/00/335007200.db2.gz QDLKRYSVDDECLF-RDBSUJKOSA-N 2 2 271.405 -0.296 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)CN(C)[C@H]1CC[NH+]2CCO[C@H]1C2 ZINC000574288659 335007201 /nfs/dbraw/zinc/00/72/01/335007201.db2.gz QDLKRYSVDDECLF-RDBSUJKOSA-N 2 2 271.405 -0.296 20 0 CBADLP CC[NH+](C)C[C@@H](O)CN(C)[C@H]1CC[N@@H+]2CCO[C@H]1C2 ZINC000574288659 335007203 /nfs/dbraw/zinc/00/72/03/335007203.db2.gz QDLKRYSVDDECLF-RDBSUJKOSA-N 2 2 271.405 -0.296 20 0 CBADLP CC[NH+](C)C[C@@H](O)CN(C)[C@H]1CC[N@H+]2CCO[C@H]1C2 ZINC000574288659 335007205 /nfs/dbraw/zinc/00/72/05/335007205.db2.gz QDLKRYSVDDECLF-RDBSUJKOSA-N 2 2 271.405 -0.296 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@H+](C)[C@H]1CCN2CCO[C@H]1C2 ZINC000574288659 335007210 /nfs/dbraw/zinc/00/72/10/335007210.db2.gz QDLKRYSVDDECLF-RDBSUJKOSA-N 2 2 271.405 -0.296 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@H]1CCN2CCO[C@H]1C2 ZINC000574288659 335007212 /nfs/dbraw/zinc/00/72/12/335007212.db2.gz QDLKRYSVDDECLF-RDBSUJKOSA-N 2 2 271.405 -0.296 20 0 CBADLP CC[N@H+](C)C[C@H](O)CN(C)[C@@H]1CC[NH+]2CCO[C@H]1C2 ZINC000574288658 335007348 /nfs/dbraw/zinc/00/73/48/335007348.db2.gz QDLKRYSVDDECLF-MJBXVCDLSA-N 2 2 271.405 -0.296 20 0 CBADLP CC[N@@H+](C)C[C@H](O)CN(C)[C@@H]1CC[NH+]2CCO[C@H]1C2 ZINC000574288658 335007349 /nfs/dbraw/zinc/00/73/49/335007349.db2.gz QDLKRYSVDDECLF-MJBXVCDLSA-N 2 2 271.405 -0.296 20 0 CBADLP CC[NH+](C)C[C@H](O)CN(C)[C@@H]1CC[N@@H+]2CCO[C@H]1C2 ZINC000574288658 335007350 /nfs/dbraw/zinc/00/73/50/335007350.db2.gz QDLKRYSVDDECLF-MJBXVCDLSA-N 2 2 271.405 -0.296 20 0 CBADLP CC[NH+](C)C[C@H](O)CN(C)[C@@H]1CC[N@H+]2CCO[C@H]1C2 ZINC000574288658 335007351 /nfs/dbraw/zinc/00/73/51/335007351.db2.gz QDLKRYSVDDECLF-MJBXVCDLSA-N 2 2 271.405 -0.296 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CCN2CCO[C@H]1C2 ZINC000574288658 335007352 /nfs/dbraw/zinc/00/73/52/335007352.db2.gz QDLKRYSVDDECLF-MJBXVCDLSA-N 2 2 271.405 -0.296 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H]1CCN2CCO[C@H]1C2 ZINC000574288658 335007355 /nfs/dbraw/zinc/00/73/55/335007355.db2.gz QDLKRYSVDDECLF-MJBXVCDLSA-N 2 2 271.405 -0.296 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000574318926 335010133 /nfs/dbraw/zinc/01/01/33/335010133.db2.gz JGGJOEPRZRXBBY-GFCCVEGCSA-N 2 2 284.404 -0.441 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000574318926 335010134 /nfs/dbraw/zinc/01/01/34/335010134.db2.gz JGGJOEPRZRXBBY-GFCCVEGCSA-N 2 2 284.404 -0.441 20 0 CBADLP OC[C@H](O)C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000330805849 203258682 /nfs/dbraw/zinc/25/86/82/203258682.db2.gz KZVHVNOUYDECNL-CQSZACIVSA-N 2 2 265.357 -0.011 20 0 CBADLP O=C(N[C@H]1CCc2[nH+]ccn2C1)c1[nH]nc2c1C[NH2+]CC2 ZINC000364735427 284240137 /nfs/dbraw/zinc/24/01/37/284240137.db2.gz UMDRKPQMGRATDU-VIFPVBQESA-N 2 2 286.339 -0.003 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)C1 ZINC000353333791 220031893 /nfs/dbraw/zinc/03/18/93/220031893.db2.gz ZMKFWPHUSPBPSE-RDBSUJKOSA-N 2 2 299.415 -0.068 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)C1 ZINC000353333791 220031894 /nfs/dbraw/zinc/03/18/94/220031894.db2.gz ZMKFWPHUSPBPSE-RDBSUJKOSA-N 2 2 299.415 -0.068 20 0 CBADLP CC[N@H+](CC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1)C1CC1 ZINC000344084344 217043248 /nfs/dbraw/zinc/04/32/48/217043248.db2.gz DEVWSANOXNQWTP-UHFFFAOYSA-N 2 2 296.415 -0.121 20 0 CBADLP CC[N@@H+](CC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1)C1CC1 ZINC000344084344 217043249 /nfs/dbraw/zinc/04/32/49/217043249.db2.gz DEVWSANOXNQWTP-UHFFFAOYSA-N 2 2 296.415 -0.121 20 0 CBADLP COCCOCC[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000344129881 217063756 /nfs/dbraw/zinc/06/37/56/217063756.db2.gz VEIBUNYWYDRYRI-UHFFFAOYSA-N 2 2 273.377 -0.645 20 0 CBADLP COCCOCC[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000344129881 217063758 /nfs/dbraw/zinc/06/37/58/217063758.db2.gz VEIBUNYWYDRYRI-UHFFFAOYSA-N 2 2 273.377 -0.645 20 0 CBADLP C[C@@H](O)C[NH+]1CCC(N2CC[N@H+](C)CC2=O)CC1 ZINC000366885239 296181708 /nfs/dbraw/zinc/18/17/08/296181708.db2.gz PNSRRXRXYSPNRA-LLVKDONJSA-N 2 2 255.362 -0.394 20 0 CBADLP C[C@@H](O)C[NH+]1CCC(N2CC[N@@H+](C)CC2=O)CC1 ZINC000366885239 296181709 /nfs/dbraw/zinc/18/17/09/296181709.db2.gz PNSRRXRXYSPNRA-LLVKDONJSA-N 2 2 255.362 -0.394 20 0 CBADLP C[C@H](CC[NH+]1CCOCC1)NC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000344444715 217193012 /nfs/dbraw/zinc/19/30/12/217193012.db2.gz MWUYVCWYFIJAOM-UPJWGTAASA-N 2 2 285.388 -0.410 20 0 CBADLP C[C@@H]1OCC[NH2+][C@@H]1C(=O)NCCCC[NH+]1CCOCC1 ZINC000344472469 217201790 /nfs/dbraw/zinc/20/17/90/217201790.db2.gz KBNJCKRMADBFFC-STQMWFEESA-N 2 2 285.388 -0.408 20 0 CBADLP C[C@@H]1C[NH+](CCCNC(=O)[C@@H]2[NH2+]CCO[C@@H]2C)C[C@@H](C)O1 ZINC000344475138 217205325 /nfs/dbraw/zinc/20/53/25/217205325.db2.gz PWKYFMNUDUNDAR-AAVRWANBSA-N 2 2 299.415 -0.021 20 0 CBADLP C[N@@H+]1CCO[C@@H]2CN(C(=O)CC3CC[NH2+]CC3)C[C@@H]21 ZINC000353395756 220060525 /nfs/dbraw/zinc/06/05/25/220060525.db2.gz GBXDGPFTFAIWMQ-QWHCGFSZSA-N 2 2 267.373 -0.083 20 0 CBADLP C[N@H+]1CCO[C@@H]2CN(C(=O)CC3CC[NH2+]CC3)C[C@@H]21 ZINC000353395756 220060528 /nfs/dbraw/zinc/06/05/28/220060528.db2.gz GBXDGPFTFAIWMQ-QWHCGFSZSA-N 2 2 267.373 -0.083 20 0 CBADLP CC1(C)COCC[N@@H+]1CCNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000333160250 205082904 /nfs/dbraw/zinc/08/29/04/205082904.db2.gz GJEXVDMKNMJTDB-GDNZZTSVSA-N 2 2 282.388 -0.386 20 0 CBADLP CC1(C)COCC[N@H+]1CCNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000333160250 205082906 /nfs/dbraw/zinc/08/29/06/205082906.db2.gz GJEXVDMKNMJTDB-GDNZZTSVSA-N 2 2 282.388 -0.386 20 0 CBADLP CO[C@@H](C[NH3+])C(=O)NCc1ccc[nH+]c1N(C)C ZINC000353435723 220080852 /nfs/dbraw/zinc/08/08/52/220080852.db2.gz XFAFAYRWVWQYOF-JTQLQIEISA-N 2 2 252.318 -0.263 20 0 CBADLP O=C([C@H]1CC[NH2+]C1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000165684861 372825898 /nfs/dbraw/zinc/82/58/98/372825898.db2.gz FEJRYQKMNIMSLA-QWHCGFSZSA-N 2 2 267.373 -0.081 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178969798 372840004 /nfs/dbraw/zinc/84/00/04/372840004.db2.gz KZSKMDQPTWUQPI-LBPRGKRZSA-N 2 2 254.378 -0.557 20 0 CBADLP CO[C@H](C[NH3+])C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000353465783 220098765 /nfs/dbraw/zinc/09/87/65/220098765.db2.gz FXLVOIQSIVUOEK-SNVBAGLBSA-N 2 2 252.318 -0.191 20 0 CBADLP CN(C)C(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000250346765 372895859 /nfs/dbraw/zinc/89/58/59/372895859.db2.gz QODWYPYSYFLGGR-CHWSQXEVSA-N 2 2 296.415 -0.264 20 0 CBADLP CN(C)C(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000250346765 372895868 /nfs/dbraw/zinc/89/58/68/372895868.db2.gz QODWYPYSYFLGGR-CHWSQXEVSA-N 2 2 296.415 -0.264 20 0 CBADLP C[C@@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)[C@@H](C)CO1 ZINC000245684935 372881540 /nfs/dbraw/zinc/88/15/40/372881540.db2.gz UXQPJTVKIMQAHB-NWDGAFQWSA-N 2 2 255.362 -0.130 20 0 CBADLP C[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)[C@@H](C)CO1 ZINC000245684935 372881553 /nfs/dbraw/zinc/88/15/53/372881553.db2.gz UXQPJTVKIMQAHB-NWDGAFQWSA-N 2 2 255.362 -0.130 20 0 CBADLP CO[C@H](C[NH3+])C(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000353486057 220109431 /nfs/dbraw/zinc/10/94/31/220109431.db2.gz WNZXYCALUPBHNM-GFCCVEGCSA-N 2 2 273.377 -0.471 20 0 CBADLP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261569818 372906629 /nfs/dbraw/zinc/90/66/29/372906629.db2.gz KBJXHSDUPMOAAL-AEJSXWLSSA-N 2 2 254.334 -0.486 20 0 CBADLP CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261569818 372906633 /nfs/dbraw/zinc/90/66/33/372906633.db2.gz KBJXHSDUPMOAAL-AEJSXWLSSA-N 2 2 254.334 -0.486 20 0 CBADLP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261587414 372907277 /nfs/dbraw/zinc/90/72/77/372907277.db2.gz VAXDSYSBVWCAFX-IVZWLZJFSA-N 2 2 254.334 -0.628 20 0 CBADLP CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261587414 372907282 /nfs/dbraw/zinc/90/72/82/372907282.db2.gz VAXDSYSBVWCAFX-IVZWLZJFSA-N 2 2 254.334 -0.628 20 0 CBADLP C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1COCC[NH2+]1 ZINC000262661913 372910732 /nfs/dbraw/zinc/91/07/32/372910732.db2.gz GNVKROKYONMCCF-NWDGAFQWSA-N 2 2 255.362 -0.035 20 0 CBADLP C[C@H]1CCCC[N@H+]1CCNC(=O)[C@H]1COCC[NH2+]1 ZINC000262661913 372910742 /nfs/dbraw/zinc/91/07/42/372910742.db2.gz GNVKROKYONMCCF-NWDGAFQWSA-N 2 2 255.362 -0.035 20 0 CBADLP Cn1c[nH+]cc1CNC(=O)NCCC[NH+]1CCOCC1 ZINC000292488055 372960551 /nfs/dbraw/zinc/96/05/51/372960551.db2.gz QMJBIOHNKSTMRN-UHFFFAOYSA-N 2 2 281.360 -0.058 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)NCCC[NH+]2CCC[C@@H]2C(N)=O)C1 ZINC000330947835 372993282 /nfs/dbraw/zinc/99/32/82/372993282.db2.gz HWIPPFQZSLSHLW-VXGBXAGGSA-N 2 2 298.387 -0.177 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)NCCC[NH+]2CCC[C@@H]2C(N)=O)C1 ZINC000330947835 372993292 /nfs/dbraw/zinc/99/32/92/372993292.db2.gz HWIPPFQZSLSHLW-VXGBXAGGSA-N 2 2 298.387 -0.177 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)C1 ZINC000330947835 372993304 /nfs/dbraw/zinc/99/33/04/372993304.db2.gz HWIPPFQZSLSHLW-VXGBXAGGSA-N 2 2 298.387 -0.177 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)C1 ZINC000330947835 372993308 /nfs/dbraw/zinc/99/33/08/372993308.db2.gz HWIPPFQZSLSHLW-VXGBXAGGSA-N 2 2 298.387 -0.177 20 0 CBADLP C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)[C@@H]2CCC[NH+]2C)CCO1 ZINC000331255968 372997074 /nfs/dbraw/zinc/99/70/74/372997074.db2.gz YYWUIIZOEOMXTA-NEPJUHHUSA-N 2 2 298.387 -0.225 20 0 CBADLP C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)[C@@H]2CCC[NH+]2C)CCO1 ZINC000331255968 372997080 /nfs/dbraw/zinc/99/70/80/372997080.db2.gz YYWUIIZOEOMXTA-NEPJUHHUSA-N 2 2 298.387 -0.225 20 0 CBADLP C[NH+](CC(N)=O)C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CCO1 ZINC000331255968 372997085 /nfs/dbraw/zinc/99/70/85/372997085.db2.gz YYWUIIZOEOMXTA-NEPJUHHUSA-N 2 2 298.387 -0.225 20 0 CBADLP C[NH+](CC(N)=O)C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)CCO1 ZINC000331255968 372997090 /nfs/dbraw/zinc/99/70/90/372997090.db2.gz YYWUIIZOEOMXTA-NEPJUHHUSA-N 2 2 298.387 -0.225 20 0 CBADLP C[N@@H+]1CCC[C@@]2(CC[NH+](CC(=O)NC(N)=O)C2)C1 ZINC000331657730 373000036 /nfs/dbraw/zinc/00/00/36/373000036.db2.gz OMZHKHIALUWZML-GFCCVEGCSA-N 2 2 254.334 -0.401 20 0 CBADLP C[N@H+]1CCC[C@@]2(CC[NH+](CC(=O)NC(N)=O)C2)C1 ZINC000331657730 373000046 /nfs/dbraw/zinc/00/00/46/373000046.db2.gz OMZHKHIALUWZML-GFCCVEGCSA-N 2 2 254.334 -0.401 20 0 CBADLP C[NH+]1CCC[C@@]2(CC[N@H+](CC(=O)NC(N)=O)C2)C1 ZINC000331657730 373000055 /nfs/dbraw/zinc/00/00/55/373000055.db2.gz OMZHKHIALUWZML-GFCCVEGCSA-N 2 2 254.334 -0.401 20 0 CBADLP C[NH+]1CCC[C@@]2(CC[N@@H+](CC(=O)NC(N)=O)C2)C1 ZINC000331657730 373000068 /nfs/dbraw/zinc/00/00/68/373000068.db2.gz OMZHKHIALUWZML-GFCCVEGCSA-N 2 2 254.334 -0.401 20 0 CBADLP C[C@H]([C@H](C)NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[NH+]1CCOCC1 ZINC000333462425 205339811 /nfs/dbraw/zinc/33/98/11/205339811.db2.gz ZHWVJWPJZPGXII-OBPIAQAESA-N 2 2 282.388 -0.387 20 0 CBADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000342256114 373046937 /nfs/dbraw/zinc/04/69/37/373046937.db2.gz DNJYFODGWQPODY-HZSPNIEDSA-N 2 2 297.399 -0.361 20 0 CBADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000342256114 373046944 /nfs/dbraw/zinc/04/69/44/373046944.db2.gz DNJYFODGWQPODY-HZSPNIEDSA-N 2 2 297.399 -0.361 20 0 CBADLP CO[C@H](C[NH3+])C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000353449665 373113537 /nfs/dbraw/zinc/11/35/37/373113537.db2.gz OFOLJHFUCJRHAW-SNVBAGLBSA-N 2 2 259.350 -0.813 20 0 CBADLP CO[C@H](C[NH3+])C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000353449665 373113546 /nfs/dbraw/zinc/11/35/46/373113546.db2.gz OFOLJHFUCJRHAW-SNVBAGLBSA-N 2 2 259.350 -0.813 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH+]2CCOCC2)C1 ZINC000360490327 373199032 /nfs/dbraw/zinc/19/90/32/373199032.db2.gz SRQIOPRXOUPQOJ-LBPRGKRZSA-N 2 2 271.361 -0.845 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)NCC[NH+]2CCOCC2)C1 ZINC000360490327 373199039 /nfs/dbraw/zinc/19/90/39/373199039.db2.gz SRQIOPRXOUPQOJ-LBPRGKRZSA-N 2 2 271.361 -0.845 20 0 CBADLP CCS(=O)(=O)NCC[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360571874 373209630 /nfs/dbraw/zinc/20/96/30/373209630.db2.gz WJBXOJRYPFNWHY-NSHDSACASA-N 2 2 261.391 -0.389 20 0 CBADLP CCS(=O)(=O)NCC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360571874 373209635 /nfs/dbraw/zinc/20/96/35/373209635.db2.gz WJBXOJRYPFNWHY-NSHDSACASA-N 2 2 261.391 -0.389 20 0 CBADLP CN(C)c1nc(N2CC[NH+]([C@@H]3COC[C@@H]3O)CC2)cc[nH+]1 ZINC000361310877 373273706 /nfs/dbraw/zinc/27/37/06/373273706.db2.gz VDUHMRFKLACUOP-NEPJUHHUSA-N 2 2 293.371 -0.576 20 0 CBADLP C[C@@H](C(=O)N1CC[C@]2(CC[NH2+]C2)C1)[NH+]1CCOCC1 ZINC000360833714 373240578 /nfs/dbraw/zinc/24/05/78/373240578.db2.gz NQRFBPLMCJKRFB-JSGCOSHPSA-N 2 2 267.373 -0.081 20 0 CBADLP CC(=O)N(C)CC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000360895143 373244868 /nfs/dbraw/zinc/24/48/68/373244868.db2.gz TTYZMIRGHBZAEV-UHFFFAOYSA-N 2 2 284.404 -0.393 20 0 CBADLP C[C@@H](C[NH+](C)C)NS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000344921494 217356606 /nfs/dbraw/zinc/35/66/06/217356606.db2.gz QHNBNEUWUNXALG-LBPRGKRZSA-N 2 2 293.433 -0.422 20 0 CBADLP CC(C)NC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000361720124 373329844 /nfs/dbraw/zinc/32/98/44/373329844.db2.gz XRFAKCOAQQBMNV-ZDUSSCGKSA-N 2 2 296.415 -0.345 20 0 CBADLP CC(C)NC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000361720124 373329851 /nfs/dbraw/zinc/32/98/51/373329851.db2.gz XRFAKCOAQQBMNV-ZDUSSCGKSA-N 2 2 296.415 -0.345 20 0 CBADLP CC(C)NC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C)[NH3+])CC1 ZINC000361719504 373330113 /nfs/dbraw/zinc/33/01/13/373330113.db2.gz UOVHUGNSKSUMAH-LLVKDONJSA-N 2 2 270.377 -0.608 20 0 CBADLP CC(C)NC(=O)C[N@H+]1CCCN(C(=O)[C@@H](C)[NH3+])CC1 ZINC000361719504 373330119 /nfs/dbraw/zinc/33/01/19/373330119.db2.gz UOVHUGNSKSUMAH-LLVKDONJSA-N 2 2 270.377 -0.608 20 0 CBADLP COCC[C@]1(C(=O)NC[C@@H](C)[NH+]2CCOCC2)CC[NH2+]C1 ZINC000361723853 373331174 /nfs/dbraw/zinc/33/11/74/373331174.db2.gz ZFIPHDMVSDXEMQ-UKRRQHHQSA-N 2 2 299.415 -0.161 20 0 CBADLP C[C@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)C[C@H]1CO ZINC000362060556 373362689 /nfs/dbraw/zinc/36/26/89/373362689.db2.gz YWMLOIZHHGOGNY-RYUDHWBXSA-N 2 2 255.362 -0.679 20 0 CBADLP C[C@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)C[C@H]1CO ZINC000362060556 373362696 /nfs/dbraw/zinc/36/26/96/373362696.db2.gz YWMLOIZHHGOGNY-RYUDHWBXSA-N 2 2 255.362 -0.679 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CCC[C@H]1C[NH+](C)C ZINC000362497369 373419062 /nfs/dbraw/zinc/41/90/62/373419062.db2.gz HKFYQKIDPXFZKK-ZDUSSCGKSA-N 2 2 298.431 -0.005 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CCC[C@H]1C[NH+](C)C ZINC000362497369 373419074 /nfs/dbraw/zinc/41/90/74/373419074.db2.gz HKFYQKIDPXFZKK-ZDUSSCGKSA-N 2 2 298.431 -0.005 20 0 CBADLP C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000362496489 373419359 /nfs/dbraw/zinc/41/93/59/373419359.db2.gz CIWNLOJQPPFSLZ-NEPJUHHUSA-N 2 2 255.362 -0.130 20 0 CBADLP C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000362496489 373419371 /nfs/dbraw/zinc/41/93/71/373419371.db2.gz CIWNLOJQPPFSLZ-NEPJUHHUSA-N 2 2 255.362 -0.130 20 0 CBADLP CCS(=O)(=O)NCC[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000344982591 217378269 /nfs/dbraw/zinc/37/82/69/217378269.db2.gz ZYDIUTBPIZXJTI-UHFFFAOYSA-N 2 2 293.433 -0.686 20 0 CBADLP CCS(=O)(=O)NCC[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000344982591 217378272 /nfs/dbraw/zinc/37/82/72/217378272.db2.gz ZYDIUTBPIZXJTI-UHFFFAOYSA-N 2 2 293.433 -0.686 20 0 CBADLP CCC[N@H+](C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)OC ZINC000344991109 217379940 /nfs/dbraw/zinc/37/99/40/217379940.db2.gz ZHCPQRJBWBRQFW-LLVKDONJSA-N 2 2 282.344 -0.048 20 0 CBADLP CCC[N@@H+](C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)OC ZINC000344991109 217379942 /nfs/dbraw/zinc/37/99/42/217379942.db2.gz ZHCPQRJBWBRQFW-LLVKDONJSA-N 2 2 282.344 -0.048 20 0 CBADLP CCC[N@H+](C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)OC ZINC000344991109 217379945 /nfs/dbraw/zinc/37/99/45/217379945.db2.gz ZHCPQRJBWBRQFW-LLVKDONJSA-N 2 2 282.344 -0.048 20 0 CBADLP CCC[N@@H+](C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)OC ZINC000344991109 217379946 /nfs/dbraw/zinc/37/99/46/217379946.db2.gz ZHCPQRJBWBRQFW-LLVKDONJSA-N 2 2 282.344 -0.048 20 0 CBADLP C[C@H](CNC(=O)[C@H]1C[N@H+](C)C[C@H]1C)[NH+]1CCN(C)CC1 ZINC000362763874 373444843 /nfs/dbraw/zinc/44/48/43/373444843.db2.gz WZWRGWHMEUCJQX-MCIONIFRSA-N 2 2 282.432 -0.064 20 0 CBADLP C[C@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C)[NH+]1CCN(C)CC1 ZINC000362763874 373444857 /nfs/dbraw/zinc/44/48/57/373444857.db2.gz WZWRGWHMEUCJQX-MCIONIFRSA-N 2 2 282.432 -0.064 20 0 CBADLP CCOCC[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362826077 373452167 /nfs/dbraw/zinc/45/21/67/373452167.db2.gz LICKVCODXWOYIN-LBPRGKRZSA-N 2 2 255.362 -0.081 20 0 CBADLP CCOCC[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362826077 373452171 /nfs/dbraw/zinc/45/21/71/373452171.db2.gz LICKVCODXWOYIN-LBPRGKRZSA-N 2 2 255.362 -0.081 20 0 CBADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)C[NH+](C)C)CC1 ZINC000362952595 373466676 /nfs/dbraw/zinc/46/66/76/373466676.db2.gz PEWXVGFXRSFGPQ-UHFFFAOYSA-N 2 2 270.377 -0.782 20 0 CBADLP CCNC(=O)C[N@H+]1CCCN(C(=O)C[NH+](C)C)CC1 ZINC000362952595 373466683 /nfs/dbraw/zinc/46/66/83/373466683.db2.gz PEWXVGFXRSFGPQ-UHFFFAOYSA-N 2 2 270.377 -0.782 20 0 CBADLP COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000362965163 373468232 /nfs/dbraw/zinc/46/82/32/373468232.db2.gz ZLCQXZPLJZKGIA-WCQGTBRESA-N 2 2 294.355 -0.192 20 0 CBADLP COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000362965163 373468239 /nfs/dbraw/zinc/46/82/39/373468239.db2.gz ZLCQXZPLJZKGIA-WCQGTBRESA-N 2 2 294.355 -0.192 20 0 CBADLP COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000362965163 373468251 /nfs/dbraw/zinc/46/82/51/373468251.db2.gz ZLCQXZPLJZKGIA-WCQGTBRESA-N 2 2 294.355 -0.192 20 0 CBADLP COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000362965163 373468261 /nfs/dbraw/zinc/46/82/61/373468261.db2.gz ZLCQXZPLJZKGIA-WCQGTBRESA-N 2 2 294.355 -0.192 20 0 CBADLP O=C(C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1)N1CCNC1=O ZINC000363414539 373490243 /nfs/dbraw/zinc/49/02/43/373490243.db2.gz OKPUNSASFSSDHL-AGIUHOORSA-N 2 2 292.383 -0.046 20 0 CBADLP O=C(C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1)N1CCNC1=O ZINC000363414539 373490252 /nfs/dbraw/zinc/49/02/52/373490252.db2.gz OKPUNSASFSSDHL-AGIUHOORSA-N 2 2 292.383 -0.046 20 0 CBADLP O=C(C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1)N1CCNC1=O ZINC000363414539 373490257 /nfs/dbraw/zinc/49/02/57/373490257.db2.gz OKPUNSASFSSDHL-AGIUHOORSA-N 2 2 292.383 -0.046 20 0 CBADLP O=C(C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1)N1CCNC1=O ZINC000363414539 373490265 /nfs/dbraw/zinc/49/02/65/373490265.db2.gz OKPUNSASFSSDHL-AGIUHOORSA-N 2 2 292.383 -0.046 20 0 CBADLP CCN1C(=O)[C@H]2C[N@H+](CCn3cc[nH+]c3)CCN2C1=O ZINC000363458742 373491759 /nfs/dbraw/zinc/49/17/59/373491759.db2.gz ARJCCBSYDMQUTN-LLVKDONJSA-N 2 2 277.328 -0.149 20 0 CBADLP CCN1C(=O)[C@H]2C[N@@H+](CCn3cc[nH+]c3)CCN2C1=O ZINC000363458742 373491763 /nfs/dbraw/zinc/49/17/63/373491763.db2.gz ARJCCBSYDMQUTN-LLVKDONJSA-N 2 2 277.328 -0.149 20 0 CBADLP O=C([C@H]1C[NH+]2CCC1CC2)N1CC[NH+](CCO)CC1 ZINC000363566694 373499184 /nfs/dbraw/zinc/49/91/84/373499184.db2.gz UMIINBSZVHLTGG-ZDUSSCGKSA-N 2 2 267.373 -0.535 20 0 CBADLP C[C@H](O)C[NH+]1CCC(N2CC[N@H+](C)CC2=O)CC1 ZINC000366885242 373531772 /nfs/dbraw/zinc/53/17/72/373531772.db2.gz PNSRRXRXYSPNRA-NSHDSACASA-N 2 2 255.362 -0.394 20 0 CBADLP C[C@H](O)C[NH+]1CCC(N2CC[N@@H+](C)CC2=O)CC1 ZINC000366885242 373531779 /nfs/dbraw/zinc/53/17/79/373531779.db2.gz PNSRRXRXYSPNRA-NSHDSACASA-N 2 2 255.362 -0.394 20 0 CBADLP O=C(C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1)N1CCNC1=O ZINC000363414540 373489301 /nfs/dbraw/zinc/48/93/01/373489301.db2.gz OKPUNSASFSSDHL-FRRDWIJNSA-N 2 2 292.383 -0.046 20 0 CBADLP O=C(C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1)N1CCNC1=O ZINC000363414540 373489307 /nfs/dbraw/zinc/48/93/07/373489307.db2.gz OKPUNSASFSSDHL-FRRDWIJNSA-N 2 2 292.383 -0.046 20 0 CBADLP O=C(C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1)N1CCNC1=O ZINC000363414540 373489312 /nfs/dbraw/zinc/48/93/12/373489312.db2.gz OKPUNSASFSSDHL-FRRDWIJNSA-N 2 2 292.383 -0.046 20 0 CBADLP O=C(C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1)N1CCNC1=O ZINC000363414540 373489314 /nfs/dbraw/zinc/48/93/14/373489314.db2.gz OKPUNSASFSSDHL-FRRDWIJNSA-N 2 2 292.383 -0.046 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)C[S@](C)=O ZINC000398885985 373585764 /nfs/dbraw/zinc/58/57/64/373585764.db2.gz WUZZLXMCLKBVAF-MMPTUQATSA-N 2 2 250.408 -0.002 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)C[S@](C)=O ZINC000398885985 373585772 /nfs/dbraw/zinc/58/57/72/373585772.db2.gz WUZZLXMCLKBVAF-MMPTUQATSA-N 2 2 250.408 -0.002 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@@H](C)C[S@](C)=O ZINC000398885985 373585779 /nfs/dbraw/zinc/58/57/79/373585779.db2.gz WUZZLXMCLKBVAF-MMPTUQATSA-N 2 2 250.408 -0.002 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H](C)C[S@](C)=O ZINC000398885985 373585782 /nfs/dbraw/zinc/58/57/82/373585782.db2.gz WUZZLXMCLKBVAF-MMPTUQATSA-N 2 2 250.408 -0.002 20 0 CBADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)C[NH+](C)C ZINC000367426465 373538247 /nfs/dbraw/zinc/53/82/47/373538247.db2.gz OUUDOMMYDWFZBE-RYUDHWBXSA-N 2 2 255.362 -0.130 20 0 CBADLP CCOC[C@H](O)C[NH+]1CCN(Cc2[nH+]ccn2C)CC1 ZINC000353639074 220214128 /nfs/dbraw/zinc/21/41/28/220214128.db2.gz VUHPSIVXDONGFJ-CYBMUJFWSA-N 2 2 282.388 -0.065 20 0 CBADLP CNC(=O)NC(=O)C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000374426129 373563367 /nfs/dbraw/zinc/56/33/67/373563367.db2.gz COCXBZJHSANLCZ-QJPTWQEYSA-N 2 2 298.387 -0.375 20 0 CBADLP CNC(=O)NC(=O)C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000374426129 373563375 /nfs/dbraw/zinc/56/33/75/373563375.db2.gz COCXBZJHSANLCZ-QJPTWQEYSA-N 2 2 298.387 -0.375 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000417031632 373626518 /nfs/dbraw/zinc/62/65/18/373626518.db2.gz PFHPBIUNYXQQDZ-CMPLNLGQSA-N 2 2 270.377 -0.256 20 0 CBADLP C[C@@H]1CN(C(=O)[C@H]2CCC[NH+]2C)CC[N@@H+]1CCO ZINC000428140674 373670587 /nfs/dbraw/zinc/67/05/87/373670587.db2.gz GAYYOPQWEVAQLI-VXGBXAGGSA-N 2 2 255.362 -0.394 20 0 CBADLP C[C@@H]1CN(C(=O)[C@H]2CCC[NH+]2C)CC[N@H+]1CCO ZINC000428140674 373670594 /nfs/dbraw/zinc/67/05/94/373670594.db2.gz GAYYOPQWEVAQLI-VXGBXAGGSA-N 2 2 255.362 -0.394 20 0 CBADLP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CC[NH+]1CCO ZINC000428140674 373670599 /nfs/dbraw/zinc/67/05/99/373670599.db2.gz GAYYOPQWEVAQLI-VXGBXAGGSA-N 2 2 255.362 -0.394 20 0 CBADLP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CC[NH+]1CCO ZINC000428140674 373670605 /nfs/dbraw/zinc/67/06/05/373670605.db2.gz GAYYOPQWEVAQLI-VXGBXAGGSA-N 2 2 255.362 -0.394 20 0 CBADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)C1 ZINC000430573705 373673117 /nfs/dbraw/zinc/67/31/17/373673117.db2.gz MOYGWDOPTHIEPY-WOPDTQHZSA-N 2 2 284.404 -0.362 20 0 CBADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)C1 ZINC000430573705 373673122 /nfs/dbraw/zinc/67/31/22/373673122.db2.gz MOYGWDOPTHIEPY-WOPDTQHZSA-N 2 2 284.404 -0.362 20 0 CBADLP CCn1cc[nH+]c1/C=C/C(=O)NCCN1CC[NH2+]CC1 ZINC000493822787 373731137 /nfs/dbraw/zinc/73/11/37/373731137.db2.gz NCKTUSGIYKPAES-ONEGZZNKSA-N 2 2 277.372 -0.062 20 0 CBADLP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217555553 220235433 /nfs/dbraw/zinc/23/54/33/220235433.db2.gz ZYLCOFDJJVXPEG-ZJUUUORDSA-N 2 2 256.350 -0.109 20 0 CBADLP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217555553 220235436 /nfs/dbraw/zinc/23/54/36/220235436.db2.gz ZYLCOFDJJVXPEG-ZJUUUORDSA-N 2 2 256.350 -0.109 20 0 CBADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]C[C@H]1CCCN1S(C)(=O)=O ZINC000333837774 205759155 /nfs/dbraw/zinc/75/91/55/205759155.db2.gz NRTVUABHMGIWQI-QJPTWQEYSA-N 2 2 275.418 -0.002 20 0 CBADLP CN(C)c1[nH+]cc(C[NH2+]CCCN2CCNC(=O)C2)n1C ZINC000514826960 373765626 /nfs/dbraw/zinc/76/56/26/373765626.db2.gz SOAHMGATVIVBQR-UHFFFAOYSA-N 2 2 294.403 -0.602 20 0 CBADLP CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000516615785 373817856 /nfs/dbraw/zinc/81/78/56/373817856.db2.gz YLYCIICYROAQRK-SNVBAGLBSA-N 2 2 294.359 -0.234 20 0 CBADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C[C@H]1[NH3+] ZINC000516650514 373818268 /nfs/dbraw/zinc/81/82/68/373818268.db2.gz ORGDCSPGAOGKFN-GRYCIOLGSA-N 3 2 254.378 -0.537 20 0 CBADLP CC(C)N1CC[C@H]([N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C1=O ZINC000520253944 373829847 /nfs/dbraw/zinc/82/98/47/373829847.db2.gz FHQGHKHNFJPXFB-TUAOUCFPSA-N 2 2 280.372 -0.761 20 0 CBADLP CC(C)N1CC[C@H]([N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C1=O ZINC000520253944 373829854 /nfs/dbraw/zinc/82/98/54/373829854.db2.gz FHQGHKHNFJPXFB-TUAOUCFPSA-N 2 2 280.372 -0.761 20 0 CBADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@]23C[C@H]2CC[NH2+]3)[C@H](C)C1 ZINC000515234252 373778243 /nfs/dbraw/zinc/77/82/43/373778243.db2.gz DWULZUWSCLENMY-JMSVASOKSA-N 2 2 295.383 -0.166 20 0 CBADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@]23C[C@H]2CC[NH2+]3)[C@H](C)C1 ZINC000515234252 373778250 /nfs/dbraw/zinc/77/82/50/373778250.db2.gz DWULZUWSCLENMY-JMSVASOKSA-N 2 2 295.383 -0.166 20 0 CBADLP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCC[NH+]2CCCC2)CC1 ZINC000515347203 373783941 /nfs/dbraw/zinc/78/39/41/373783941.db2.gz WSRMKTWLALHSCH-HNNXBMFYSA-N 3 2 284.448 -0.330 20 0 CBADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](CC(=O)NC3CCCCC3)CCN2C1=O ZINC000515500378 373791562 /nfs/dbraw/zinc/79/15/62/373791562.db2.gz LPAKPIIYAOVQAQ-CHWSQXEVSA-N 2 2 294.399 -0.321 20 0 CBADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](CC(=O)NC3CCCCC3)CCN2C1=O ZINC000515500378 373791572 /nfs/dbraw/zinc/79/15/72/373791572.db2.gz LPAKPIIYAOVQAQ-CHWSQXEVSA-N 2 2 294.399 -0.321 20 0 CBADLP O=C(NCC[N@@H+]1CCCOCC1)[C@H]1CSC[NH2+]1 ZINC000515651648 373794162 /nfs/dbraw/zinc/79/41/62/373794162.db2.gz DBFYBECNDTXXHI-SNVBAGLBSA-N 2 2 259.375 -0.513 20 0 CBADLP O=C(NCC[N@H+]1CCCOCC1)[C@H]1CSC[NH2+]1 ZINC000515651648 373794173 /nfs/dbraw/zinc/79/41/73/373794173.db2.gz DBFYBECNDTXXHI-SNVBAGLBSA-N 2 2 259.375 -0.513 20 0 CBADLP C[C@@H]1CNCC[N@@H+]1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000515845429 373797154 /nfs/dbraw/zinc/79/71/54/373797154.db2.gz GEHYDSYKLKVFDC-VXGBXAGGSA-N 2 2 254.378 -0.523 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000515843270 373797816 /nfs/dbraw/zinc/79/78/16/373797816.db2.gz XHCWUKWVAGIWPC-TXEJJXNPSA-N 2 2 282.388 -0.879 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000515843270 373797825 /nfs/dbraw/zinc/79/78/25/373797825.db2.gz XHCWUKWVAGIWPC-TXEJJXNPSA-N 2 2 282.388 -0.879 20 0 CBADLP C[N@@H+]1CCC[C@H](CNC(=O)NCC[NH+]2CCOCC2)C1 ZINC000521746185 373848869 /nfs/dbraw/zinc/84/88/69/373848869.db2.gz CUPVYBVJHVFKJS-CYBMUJFWSA-N 2 2 284.404 -0.040 20 0 CBADLP C[N@H+]1CCC[C@H](CNC(=O)NCC[NH+]2CCOCC2)C1 ZINC000521746185 373848875 /nfs/dbraw/zinc/84/88/75/373848875.db2.gz CUPVYBVJHVFKJS-CYBMUJFWSA-N 2 2 284.404 -0.040 20 0 CBADLP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH+]1CCN(C)CC1 ZINC000522265191 373866339 /nfs/dbraw/zinc/86/63/39/373866339.db2.gz LHEKIAZQPLVZJH-OLZOCXBDSA-N 2 2 268.405 -0.310 20 0 CBADLP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH+]1CCN(C)CC1 ZINC000522265191 373866346 /nfs/dbraw/zinc/86/63/46/373866346.db2.gz LHEKIAZQPLVZJH-OLZOCXBDSA-N 2 2 268.405 -0.310 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H](C)[NH+](CCO)C[C@H]2C)O1 ZINC000527559585 373931113 /nfs/dbraw/zinc/93/11/13/373931113.db2.gz UCKAKJHNEVQTPW-REWJHTLYSA-N 2 2 299.415 -0.381 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H](C)[NH+](CCO)C[C@H]2C)O1 ZINC000527559585 373931117 /nfs/dbraw/zinc/93/11/17/373931117.db2.gz UCKAKJHNEVQTPW-REWJHTLYSA-N 2 2 299.415 -0.381 20 0 CBADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H](C)[N@H+](CCO)C[C@H]2C)O1 ZINC000527559585 373931119 /nfs/dbraw/zinc/93/11/19/373931119.db2.gz UCKAKJHNEVQTPW-REWJHTLYSA-N 2 2 299.415 -0.381 20 0 CBADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)O1 ZINC000527559585 373931122 /nfs/dbraw/zinc/93/11/22/373931122.db2.gz UCKAKJHNEVQTPW-REWJHTLYSA-N 2 2 299.415 -0.381 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000527903493 373937749 /nfs/dbraw/zinc/93/77/49/373937749.db2.gz IMTNCFZPIGPXBB-UHFFFAOYSA-N 2 2 293.371 -0.576 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000528645234 373972181 /nfs/dbraw/zinc/97/21/81/373972181.db2.gz ZIJQNZRHXMBZIQ-HXUWFJFHSA-N 2 2 298.412 -0.286 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC000529472861 374027114 /nfs/dbraw/zinc/02/71/14/374027114.db2.gz RYMRWEBKYWJLCI-LBPRGKRZSA-N 2 2 266.345 -0.283 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC000529472861 374027121 /nfs/dbraw/zinc/02/71/21/374027121.db2.gz RYMRWEBKYWJLCI-LBPRGKRZSA-N 2 2 266.345 -0.283 20 0 CBADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H]1CCCN(C)C1=O ZINC000530221712 374066652 /nfs/dbraw/zinc/06/66/52/374066652.db2.gz YASYWYUDUHZDKE-GRYCIOLGSA-N 2 2 255.362 -0.036 20 0 CBADLP C(N[C@H](C1CC1)[C@@H]1C[NH2+]CCO1)[C@@H]1COCC[NH2+]1 ZINC000530226262 374066927 /nfs/dbraw/zinc/06/69/27/374066927.db2.gz QWDXWBPXMKOMHQ-FRRDWIJNSA-N 2 2 255.362 -0.669 20 0 CBADLP C([NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)[C@@H]1COCCN1 ZINC000530226262 374066935 /nfs/dbraw/zinc/06/69/35/374066935.db2.gz QWDXWBPXMKOMHQ-FRRDWIJNSA-N 2 2 255.362 -0.669 20 0 CBADLP COCC[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000530222957 374067072 /nfs/dbraw/zinc/06/70/72/374067072.db2.gz MNUBWRPENCYTOL-UHFFFAOYSA-N 2 2 256.350 -0.724 20 0 CBADLP CN1CCC[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)C1=O ZINC000530230647 374068511 /nfs/dbraw/zinc/06/85/11/374068511.db2.gz BWTYNZPCOGETNA-NWDGAFQWSA-N 2 2 255.362 -0.347 20 0 CBADLP [NH3+]CCOCC[NH+]1CCN(S(=O)(=O)C2CC2)CC1 ZINC000530229450 374069407 /nfs/dbraw/zinc/06/94/07/374069407.db2.gz GWRXRJYWKIYXNB-UHFFFAOYSA-N 2 2 277.390 -0.929 20 0 CBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000530958097 374107991 /nfs/dbraw/zinc/10/79/91/374107991.db2.gz OEFGOQCDMYJJQF-CHWSQXEVSA-N 2 2 285.388 -0.910 20 0 CBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000530958097 374108001 /nfs/dbraw/zinc/10/80/01/374108001.db2.gz OEFGOQCDMYJJQF-CHWSQXEVSA-N 2 2 285.388 -0.910 20 0 CBADLP C[C@H]1CCC[N@H+](CC[NH2+]CCC(=O)NC(N)=O)C1 ZINC000548832087 374218654 /nfs/dbraw/zinc/21/86/54/374218654.db2.gz BHWMFBVAGLAMDN-JTQLQIEISA-N 2 2 256.350 -0.107 20 0 CBADLP C[C@H]1CCC[N@@H+](CC[NH2+]CCC(=O)NC(N)=O)C1 ZINC000548832087 374218659 /nfs/dbraw/zinc/21/86/59/374218659.db2.gz BHWMFBVAGLAMDN-JTQLQIEISA-N 2 2 256.350 -0.107 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000551945755 374252553 /nfs/dbraw/zinc/25/25/53/374252553.db2.gz XFPRKKNPSOIEIF-GFCCVEGCSA-N 2 2 255.362 -0.271 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000551945755 374252561 /nfs/dbraw/zinc/25/25/61/374252561.db2.gz XFPRKKNPSOIEIF-GFCCVEGCSA-N 2 2 255.362 -0.271 20 0 CBADLP C[NH+]1CCN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000551824184 374247433 /nfs/dbraw/zinc/24/74/33/374247433.db2.gz DFHRDFOMMXHWIA-GFCCVEGCSA-N 2 2 252.362 -0.850 20 0 CBADLP C[NH+]1CCN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000551824184 374247440 /nfs/dbraw/zinc/24/74/40/374247440.db2.gz DFHRDFOMMXHWIA-GFCCVEGCSA-N 2 2 252.362 -0.850 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1[C@@H]2CC[C@H]1CN(C)C(=O)C2 ZINC000563723681 374324374 /nfs/dbraw/zinc/32/43/74/374324374.db2.gz IFRGETDLSJMHHS-RDBSUJKOSA-N 2 2 299.415 -0.379 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1[C@@H]2CC[C@H]1CN(C)C(=O)C2 ZINC000563723681 374324377 /nfs/dbraw/zinc/32/43/77/374324377.db2.gz IFRGETDLSJMHHS-RDBSUJKOSA-N 2 2 299.415 -0.379 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1CN(C)C(=O)C2 ZINC000563723681 374324386 /nfs/dbraw/zinc/32/43/86/374324386.db2.gz IFRGETDLSJMHHS-RDBSUJKOSA-N 2 2 299.415 -0.379 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1CN(C)C(=O)C2 ZINC000563723681 374324391 /nfs/dbraw/zinc/32/43/91/374324391.db2.gz IFRGETDLSJMHHS-RDBSUJKOSA-N 2 2 299.415 -0.379 20 0 CBADLP CCn1cc[nH+]c1CN1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000566491742 374330962 /nfs/dbraw/zinc/33/09/62/374330962.db2.gz XKCDKUBPAAVTDD-MNOVXSKESA-N 2 2 263.345 -0.353 20 0 CBADLP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@H]2C(=O)NC[C@H]21)C1CC1 ZINC000577921292 374344064 /nfs/dbraw/zinc/34/40/64/374344064.db2.gz ZXWDCOOPDBLRGI-JHJVBQTASA-N 2 2 267.373 -0.348 20 0 CBADLP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21)C1CC1 ZINC000577921292 374344070 /nfs/dbraw/zinc/34/40/70/374344070.db2.gz ZXWDCOOPDBLRGI-JHJVBQTASA-N 2 2 267.373 -0.348 20 0 CBADLP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@H]2C(=O)NC[C@H]21)C1CC1 ZINC000577921292 374344075 /nfs/dbraw/zinc/34/40/75/374344075.db2.gz ZXWDCOOPDBLRGI-JHJVBQTASA-N 2 2 267.373 -0.348 20 0 CBADLP CNS(=O)(=O)[C@H]1CC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000583753353 374366023 /nfs/dbraw/zinc/36/60/23/374366023.db2.gz XBTZSQYYXBVYNN-QWRGUYRKSA-N 2 2 261.391 -0.391 20 0 CBADLP CNS(=O)(=O)[C@H]1CC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000583753353 374366027 /nfs/dbraw/zinc/36/60/27/374366027.db2.gz XBTZSQYYXBVYNN-QWRGUYRKSA-N 2 2 261.391 -0.391 20 0 CBADLP C[C@@H](O)C[NH2+]CCC[NH+]1CCN(c2ncccn2)CC1 ZINC000644516790 374588700 /nfs/dbraw/zinc/58/87/00/374588700.db2.gz GSNXQUWNLGHLAQ-CYBMUJFWSA-N 2 2 279.388 -0.041 20 0 CBADLP CC[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)C(=O)N1CCOCC1 ZINC000644586160 374598761 /nfs/dbraw/zinc/59/87/61/374598761.db2.gz MJIKWYSVNFLEEF-KBPBESRZSA-N 2 2 299.415 -0.332 20 0 CBADLP CC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)C(=O)N1CCOCC1 ZINC000644586160 374598769 /nfs/dbraw/zinc/59/87/69/374598769.db2.gz MJIKWYSVNFLEEF-KBPBESRZSA-N 2 2 299.415 -0.332 20 0 CBADLP CC(=O)N1CC[C@H]([NH2+]C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000644595187 374598947 /nfs/dbraw/zinc/59/89/47/374598947.db2.gz BTAUWMSJTBKBEM-JURCDPSOSA-N 2 2 299.415 -0.333 20 0 CBADLP C[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)CC[NH+]1CCOCC1 ZINC000645886896 374710983 /nfs/dbraw/zinc/71/09/83/374710983.db2.gz IBRSSXKEAJHZKN-NWDGAFQWSA-N 2 2 255.362 -0.225 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)[C@H]1[NH2+]CC1(C)C ZINC000645887016 374711094 /nfs/dbraw/zinc/71/10/94/374711094.db2.gz OHTWUADAYWYETH-LLVKDONJSA-N 2 2 255.362 -0.225 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000645932839 374712944 /nfs/dbraw/zinc/71/29/44/374712944.db2.gz MJEYRIWRPBNEFE-MNOVXSKESA-N 2 2 255.362 -0.179 20 0 CBADLP CN(CCCn1cc[nH+]c1)C(=O)[C@@H]1C[NH2+]CCO1 ZINC000646253077 374762369 /nfs/dbraw/zinc/76/23/69/374762369.db2.gz PPDLZLPFVILKLO-NSHDSACASA-N 2 2 252.318 -0.280 20 0 CBADLP CN(C)C(=O)C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646102869 374740465 /nfs/dbraw/zinc/74/04/65/374740465.db2.gz VIDHSAFMLURZKE-UHFFFAOYSA-N 2 2 255.362 -0.129 20 0 CBADLP CN(C)C(=O)C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646102869 374740468 /nfs/dbraw/zinc/74/04/68/374740468.db2.gz VIDHSAFMLURZKE-UHFFFAOYSA-N 2 2 255.362 -0.129 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000646652518 374801203 /nfs/dbraw/zinc/80/12/03/374801203.db2.gz QDOKNWMJKBUQME-LBPRGKRZSA-N 2 2 284.404 -0.299 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000646652518 374801211 /nfs/dbraw/zinc/80/12/11/374801211.db2.gz QDOKNWMJKBUQME-LBPRGKRZSA-N 2 2 284.404 -0.299 20 0 CBADLP C[N@@H+]1CCN(C(=O)[C@H]2CCc3c[nH]nc3C2)[C@H](C[NH3+])C1 ZINC000646832023 374821470 /nfs/dbraw/zinc/82/14/70/374821470.db2.gz ZDWDJWWGUCROPV-CMPLNLGQSA-N 2 2 277.372 -0.384 20 0 CBADLP C[N@H+]1CCN(C(=O)[C@H]2CCc3c[nH]nc3C2)[C@H](C[NH3+])C1 ZINC000646832023 374821472 /nfs/dbraw/zinc/82/14/72/374821472.db2.gz ZDWDJWWGUCROPV-CMPLNLGQSA-N 2 2 277.372 -0.384 20 0 CBADLP C[N@@H+]1CCN(C(=O)[C@@H]2CC23CCOCC3)[C@H](C[NH3+])C1 ZINC000646831913 374822521 /nfs/dbraw/zinc/82/25/21/374822521.db2.gz IQKJSCSHIAQUEC-NEPJUHHUSA-N 2 2 267.373 -0.096 20 0 CBADLP C[N@H+]1CCN(C(=O)[C@@H]2CC23CCOCC3)[C@H](C[NH3+])C1 ZINC000646831913 374822528 /nfs/dbraw/zinc/82/25/28/374822528.db2.gz IQKJSCSHIAQUEC-NEPJUHHUSA-N 2 2 267.373 -0.096 20 0 CBADLP C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000646443094 374779045 /nfs/dbraw/zinc/77/90/45/374779045.db2.gz BZLVYBNPHSAGBZ-MJBXVCDLSA-N 2 2 297.399 -0.361 20 0 CBADLP C[N@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000646443094 374779049 /nfs/dbraw/zinc/77/90/49/374779049.db2.gz BZLVYBNPHSAGBZ-MJBXVCDLSA-N 2 2 297.399 -0.361 20 0 CBADLP C[NH+]1CCC[C@H]1[C@H]1COCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000646443094 374779051 /nfs/dbraw/zinc/77/90/51/374779051.db2.gz BZLVYBNPHSAGBZ-MJBXVCDLSA-N 2 2 297.399 -0.361 20 0 CBADLP C[NH+]1CCC[C@H]1[C@H]1COCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000646443094 374779055 /nfs/dbraw/zinc/77/90/55/374779055.db2.gz BZLVYBNPHSAGBZ-MJBXVCDLSA-N 2 2 297.399 -0.361 20 0 CBADLP [NH3+][C@@H]1CCC[C@@H](CNC(=O)CN2CC[NH2+]CC2=O)C1 ZINC000647073638 374879816 /nfs/dbraw/zinc/87/98/16/374879816.db2.gz LLPUMRGFMMKHQB-GHMZBOCLSA-N 2 2 268.361 -0.948 20 0 CBADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CO1 ZINC000647185275 374891985 /nfs/dbraw/zinc/89/19/85/374891985.db2.gz WQZLMTHMBRUGMH-HZSPNIEDSA-N 2 2 297.399 -0.314 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000646996746 374857405 /nfs/dbraw/zinc/85/74/05/374857405.db2.gz WJRKPKGSOKCUFA-NEPJUHHUSA-N 2 2 284.404 -0.171 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000646996746 374857409 /nfs/dbraw/zinc/85/74/09/374857409.db2.gz WJRKPKGSOKCUFA-NEPJUHHUSA-N 2 2 284.404 -0.171 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000646990523 374857613 /nfs/dbraw/zinc/85/76/13/374857613.db2.gz MRWNVTJGMOKBCS-UHFFFAOYSA-N 2 2 288.351 -0.662 20 0 CBADLP CCN(CC)C(=O)[C@H](C)[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000051763158 284536185 /nfs/dbraw/zinc/53/61/85/284536185.db2.gz VRKABVIAYQZHHJ-ZDUSSCGKSA-N 2 2 298.431 -0.051 20 0 CBADLP C[NH2+][C@@H](C(=O)N1CC[NH+](CCOC)CC1)c1cnn(C)c1 ZINC000262307650 190053251 /nfs/dbraw/zinc/05/32/51/190053251.db2.gz BLPBKSXLPSFBEG-CYBMUJFWSA-N 2 2 295.387 -0.529 20 0 CBADLP C[NH2+][C@H](C(=O)N[C@H](C)C[NH+]1CCOCC1)c1cnn(C)c1 ZINC000262532631 190056896 /nfs/dbraw/zinc/05/68/96/190056896.db2.gz MFBZLXHDDCPTFB-YPMHNXCESA-N 2 2 295.387 -0.483 20 0 CBADLP C[NH2+][C@@H](C(=O)N1CC[NH+](C2CC2)CC1)c1cnn(C)c1 ZINC000262602814 190058652 /nfs/dbraw/zinc/05/86/52/190058652.db2.gz XXKYLKAVUZKPCF-CYBMUJFWSA-N 2 2 277.372 -0.013 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000264325029 190103667 /nfs/dbraw/zinc/10/36/67/190103667.db2.gz QUGCCFUTQFMWEB-NWDGAFQWSA-N 2 2 281.360 -0.099 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000264325029 190103668 /nfs/dbraw/zinc/10/36/68/190103668.db2.gz QUGCCFUTQFMWEB-NWDGAFQWSA-N 2 2 281.360 -0.099 20 0 CBADLP CC[C@@]1(C(=O)N2CC[NH+](CCO)CC2)CCC[NH2+]1 ZINC000215622621 248165014 /nfs/dbraw/zinc/16/50/14/248165014.db2.gz ZZVLLPGUPHXFKO-ZDUSSCGKSA-N 2 2 255.362 -0.345 20 0 CBADLP CC[C@@H](CO)[NH+]1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC000355281141 248177818 /nfs/dbraw/zinc/17/78/18/248177818.db2.gz GGNYAJSZUQIXDJ-UONOGXRCSA-N 2 2 299.415 -0.378 20 0 CBADLP CC[C@@H](CO)[NH+]1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC000355281141 248177824 /nfs/dbraw/zinc/17/78/24/248177824.db2.gz GGNYAJSZUQIXDJ-UONOGXRCSA-N 2 2 299.415 -0.378 20 0 CBADLP [NH3+]CCOCC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000357029712 248314311 /nfs/dbraw/zinc/31/43/11/248314311.db2.gz OPJKAZKEDNXEKU-LBPRGKRZSA-N 2 2 271.361 -0.715 20 0 CBADLP Cn1cc([C@@]2(C)C[N@H+](CCOCC[NH3+])CCO2)cn1 ZINC000357088537 248318646 /nfs/dbraw/zinc/31/86/46/248318646.db2.gz XRXIAIMNAQZTRP-CYBMUJFWSA-N 2 2 268.361 -0.057 20 0 CBADLP Cn1cc([C@@]2(C)C[N@@H+](CCOCC[NH3+])CCO2)cn1 ZINC000357088537 248318651 /nfs/dbraw/zinc/31/86/51/248318651.db2.gz XRXIAIMNAQZTRP-CYBMUJFWSA-N 2 2 268.361 -0.057 20 0 CBADLP C[C@@H](C[NH3+])C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000357229317 248336855 /nfs/dbraw/zinc/33/68/55/248336855.db2.gz VQPBIVYGSQPAPJ-JTQLQIEISA-N 2 2 251.334 -0.351 20 0 CBADLP C[NH2+][C@@H](C(=O)NCCC[NH+]1CCOCC1)c1cnn(C)c1 ZINC000357185599 248331115 /nfs/dbraw/zinc/33/11/15/248331115.db2.gz IETNXMSIFBHPDV-CYBMUJFWSA-N 2 2 295.387 -0.481 20 0 CBADLP CN(C)CC[N@H+](C)CCCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC000356532315 248264429 /nfs/dbraw/zinc/26/44/29/248264429.db2.gz UCOJWCJQXNOYLY-CYBMUJFWSA-N 2 2 286.420 -0.683 20 0 CBADLP CN(C)CC[N@@H+](C)CCCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC000356532315 248264434 /nfs/dbraw/zinc/26/44/34/248264434.db2.gz UCOJWCJQXNOYLY-CYBMUJFWSA-N 2 2 286.420 -0.683 20 0 CBADLP CN(C)CC[NH+](C)CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000356532315 248264439 /nfs/dbraw/zinc/26/44/39/248264439.db2.gz UCOJWCJQXNOYLY-CYBMUJFWSA-N 2 2 286.420 -0.683 20 0 CBADLP CN(C)CC[NH+](C)CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000356532315 248264444 /nfs/dbraw/zinc/26/44/44/248264444.db2.gz UCOJWCJQXNOYLY-CYBMUJFWSA-N 2 2 286.420 -0.683 20 0 CBADLP CN(CCCNC(=O)[C@H]1C[N@H+](C)CCO1)CC[NH+](C)C ZINC000356532315 248264450 /nfs/dbraw/zinc/26/44/50/248264450.db2.gz UCOJWCJQXNOYLY-CYBMUJFWSA-N 2 2 286.420 -0.683 20 0 CBADLP CN(CCCNC(=O)[C@H]1C[N@@H+](C)CCO1)CC[NH+](C)C ZINC000356532315 248264455 /nfs/dbraw/zinc/26/44/55/248264455.db2.gz UCOJWCJQXNOYLY-CYBMUJFWSA-N 2 2 286.420 -0.683 20 0 CBADLP C[NH+]1CCC(C(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)CC1 ZINC000357374499 248356214 /nfs/dbraw/zinc/35/62/14/248356214.db2.gz GKOUTBWJZPQKRV-UHFFFAOYSA-N 2 2 296.415 -0.264 20 0 CBADLP C[N@H+](CC(=O)N1CCCC1)C1CC[NH+](CCO)CC1 ZINC000357720666 248397899 /nfs/dbraw/zinc/39/78/99/248397899.db2.gz HVZAKYVYCDRSER-UHFFFAOYSA-N 2 2 269.389 -0.003 20 0 CBADLP C[N@@H+](CC(=O)N1CCCC1)C1CC[NH+](CCO)CC1 ZINC000357720666 248397903 /nfs/dbraw/zinc/39/79/03/248397903.db2.gz HVZAKYVYCDRSER-UHFFFAOYSA-N 2 2 269.389 -0.003 20 0 CBADLP CNC(=O)NC(=O)CC[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357720710 248399355 /nfs/dbraw/zinc/39/93/55/248399355.db2.gz IFEISKZDLDEKHY-UHFFFAOYSA-N 2 2 286.376 -0.779 20 0 CBADLP CNC(=O)NC(=O)CC[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357720710 248399358 /nfs/dbraw/zinc/39/93/58/248399358.db2.gz IFEISKZDLDEKHY-UHFFFAOYSA-N 2 2 286.376 -0.779 20 0 CBADLP O=C(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)NC(=O)NCC(F)(F)F ZINC000359312790 248568851 /nfs/dbraw/zinc/56/88/51/248568851.db2.gz VCIBKBKFOTUPSR-YUMQZZPRSA-N 2 2 294.277 -0.474 20 0 CBADLP C[NH+]1CCN(C(=O)CCNC(=O)CCn2cc[nH+]c2)CC1 ZINC000264916065 190144286 /nfs/dbraw/zinc/14/42/86/190144286.db2.gz IPFNKFAFNPMAGJ-UHFFFAOYSA-N 2 2 293.371 -0.447 20 0 CBADLP COCC[N@@H+]1CC[C@@H](NC(=O)NCc2[nH+]ccn2C)C1 ZINC000265515571 190187321 /nfs/dbraw/zinc/18/73/21/190187321.db2.gz GWZMDIJUTGZSSV-LLVKDONJSA-N 2 2 281.360 -0.060 20 0 CBADLP COCC[N@H+]1CC[C@@H](NC(=O)NCc2[nH+]ccn2C)C1 ZINC000265515571 190187322 /nfs/dbraw/zinc/18/73/22/190187322.db2.gz GWZMDIJUTGZSSV-LLVKDONJSA-N 2 2 281.360 -0.060 20 0 CBADLP C[C@@H]1CC(=O)NCC[NH+]1CCC[N@H+]1CCNC(=O)C[C@H]1C ZINC000372333469 296270092 /nfs/dbraw/zinc/27/00/92/296270092.db2.gz OLPGDHDSRUFVHL-CHWSQXEVSA-N 2 2 296.415 -0.203 20 0 CBADLP C[C@@H]1CC(=O)NCC[NH+]1CCC[N@@H+]1CCNC(=O)C[C@H]1C ZINC000372333469 296270095 /nfs/dbraw/zinc/27/00/95/296270095.db2.gz OLPGDHDSRUFVHL-CHWSQXEVSA-N 2 2 296.415 -0.203 20 0 CBADLP NC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1CCOCC[NH3+] ZINC000357025462 295235129 /nfs/dbraw/zinc/23/51/29/295235129.db2.gz GYIIDHXYAGFDBW-ZDUSSCGKSA-N 2 2 263.341 -0.126 20 0 CBADLP NC(=O)[C@@H]1Cc2ccccc2C[N@H+]1CCOCC[NH3+] ZINC000357025462 295235130 /nfs/dbraw/zinc/23/51/30/295235130.db2.gz GYIIDHXYAGFDBW-ZDUSSCGKSA-N 2 2 263.341 -0.126 20 0 CBADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)CC(F)(F)C[NH3+] ZINC000653125444 412884893 /nfs/dbraw/zinc/88/48/93/412884893.db2.gz ZXHWWHQBHCPGTJ-SECBINFHSA-N 2 2 264.320 -0.668 20 0 CBADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)CC(F)(F)C[NH3+] ZINC000653125444 412884898 /nfs/dbraw/zinc/88/48/98/412884898.db2.gz ZXHWWHQBHCPGTJ-SECBINFHSA-N 2 2 264.320 -0.668 20 0 CBADLP CN1CC[N@H+](C)[C@H](CNC(=O)CC(F)(F)C[NH3+])C1 ZINC000653125444 412884901 /nfs/dbraw/zinc/88/49/01/412884901.db2.gz ZXHWWHQBHCPGTJ-SECBINFHSA-N 2 2 264.320 -0.668 20 0 CBADLP CN1CC[N@@H+](C)[C@H](CNC(=O)CC(F)(F)C[NH3+])C1 ZINC000653125444 412884903 /nfs/dbraw/zinc/88/49/03/412884903.db2.gz ZXHWWHQBHCPGTJ-SECBINFHSA-N 2 2 264.320 -0.668 20 0 CBADLP COC(=O)CN(CC[NH+]1CCOCC1)C[C@@H]1CCC[NH2+]C1 ZINC000346854193 218037606 /nfs/dbraw/zinc/03/76/06/218037606.db2.gz TYUKVIAIBLSKMT-CQSZACIVSA-N 2 2 299.415 -0.207 20 0 CBADLP CC(=O)NC[C@@H]1C[N@H+](C[C@@H]2CCC[NH2+]C2)CCO1 ZINC000347005335 218088776 /nfs/dbraw/zinc/08/87/76/218088776.db2.gz OTJSGJIZLMDDMM-CHWSQXEVSA-N 2 2 255.362 -0.177 20 0 CBADLP CC(=O)NC[C@@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)CCO1 ZINC000347005335 218088777 /nfs/dbraw/zinc/08/87/77/218088777.db2.gz OTJSGJIZLMDDMM-CHWSQXEVSA-N 2 2 255.362 -0.177 20 0 CBADLP COC(=O)[C@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)[C@@H]1C ZINC000347213455 218157636 /nfs/dbraw/zinc/15/76/36/218157636.db2.gz PPSQHNHVTRQSGZ-NEPJUHHUSA-N 2 2 283.372 -0.356 20 0 CBADLP COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)[C@@H]1C ZINC000347213455 218157638 /nfs/dbraw/zinc/15/76/38/218157638.db2.gz PPSQHNHVTRQSGZ-NEPJUHHUSA-N 2 2 283.372 -0.356 20 0 CBADLP Cn1c[nH+]cc1CC[N@@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000289444488 197351132 /nfs/dbraw/zinc/35/11/32/197351132.db2.gz WVKCUFUWSKNZFY-UHFFFAOYSA-N 2 2 286.401 -0.070 20 0 CBADLP Cn1c[nH+]cc1CC[N@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000289444488 197351134 /nfs/dbraw/zinc/35/11/34/197351134.db2.gz WVKCUFUWSKNZFY-UHFFFAOYSA-N 2 2 286.401 -0.070 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)Cn1cc[nH+]c1 ZINC000267082047 190302147 /nfs/dbraw/zinc/30/21/47/190302147.db2.gz JEMOUHBCWLVPTD-NEPJUHHUSA-N 2 2 266.345 -0.034 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)Cn1cc[nH+]c1 ZINC000267082047 190302148 /nfs/dbraw/zinc/30/21/48/190302148.db2.gz JEMOUHBCWLVPTD-NEPJUHHUSA-N 2 2 266.345 -0.034 20 0 CBADLP C[NH+](C)C/C=C/C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000267141527 190305999 /nfs/dbraw/zinc/30/59/99/190305999.db2.gz NZMOSILLPCMFEE-AATRIKPKSA-N 2 2 282.388 -0.488 20 0 CBADLP C[C@@H]1C[N@H+](CCc2c[nH+]cn2C)C[C@H](C(N)=O)O1 ZINC000347749931 218344417 /nfs/dbraw/zinc/34/44/17/218344417.db2.gz NXGUDHDXDOMTGJ-MWLCHTKSSA-N 2 2 252.318 -0.463 20 0 CBADLP C[C@@H]1C[N@@H+](CCc2c[nH+]cn2C)C[C@H](C(N)=O)O1 ZINC000347749931 218344418 /nfs/dbraw/zinc/34/44/18/218344418.db2.gz NXGUDHDXDOMTGJ-MWLCHTKSSA-N 2 2 252.318 -0.463 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCC[N@H+](C)[C@@H]2C)CC1 ZINC000347764836 218350240 /nfs/dbraw/zinc/35/02/40/218350240.db2.gz AUHWENNXOFAMQD-CHWSQXEVSA-N 2 2 296.415 -0.251 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCC[N@@H+](C)[C@@H]2C)CC1 ZINC000347764836 218350241 /nfs/dbraw/zinc/35/02/41/218350241.db2.gz AUHWENNXOFAMQD-CHWSQXEVSA-N 2 2 296.415 -0.251 20 0 CBADLP C[NH+]1CCC(CCO)(NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000347911691 218395782 /nfs/dbraw/zinc/39/57/82/218395782.db2.gz HVZJTOSDYLKACN-LBPRGKRZSA-N 2 2 285.388 -0.720 20 0 CBADLP C[NH+]1CCC(CCO)(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000347911691 218395783 /nfs/dbraw/zinc/39/57/83/218395783.db2.gz HVZJTOSDYLKACN-LBPRGKRZSA-N 2 2 285.388 -0.720 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000165044026 207398162 /nfs/dbraw/zinc/39/81/62/207398162.db2.gz WHGDBOPRBYSXAJ-STQMWFEESA-N 2 2 285.388 -0.408 20 0 CBADLP O=C(C[NH2+]C[C@H]1CCCO1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000165521940 207398483 /nfs/dbraw/zinc/39/84/83/207398483.db2.gz LBCIVCQACQDVCJ-UONOGXRCSA-N 2 2 297.399 -0.312 20 0 CBADLP C[C@@H](CNC(=O)[C@]1(C)CC[NH2+]C1)[NH+]1CCOCC1 ZINC000164912297 207398654 /nfs/dbraw/zinc/39/86/54/207398654.db2.gz ODZMUYRSHNKNJE-WCQYABFASA-N 2 2 255.362 -0.177 20 0 CBADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](C[C@@H]2CCOC2)C1 ZINC000362827714 296339679 /nfs/dbraw/zinc/33/96/79/296339679.db2.gz UUNBWQNOKYBITD-QWHCGFSZSA-N 2 2 267.373 -0.081 20 0 CBADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](C[C@@H]2CCOC2)C1 ZINC000362827714 296339682 /nfs/dbraw/zinc/33/96/82/296339682.db2.gz UUNBWQNOKYBITD-QWHCGFSZSA-N 2 2 267.373 -0.081 20 0 CBADLP CNS(=O)(=O)NC1CC[NH+](C[C@H]([NH3+])CC(C)C)CC1 ZINC000415114347 207535333 /nfs/dbraw/zinc/53/53/33/207535333.db2.gz XJRSXHWDHIUIGU-LLVKDONJSA-N 2 2 292.449 -0.122 20 0 CBADLP [NH3+][C@H](CNC(=O)C(=O)N1CC[NH+](C2CC2)CC1)C1CC1 ZINC000419859718 207747234 /nfs/dbraw/zinc/74/72/34/207747234.db2.gz KAENQTIXYBZISW-GFCCVEGCSA-N 2 2 280.372 -0.854 20 0 CBADLP CO[C@H](C[NH3+])CC(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424198328 207972150 /nfs/dbraw/zinc/97/21/50/207972150.db2.gz XVLZBFCDMCWVRL-BDAKNGLRSA-N 2 2 265.304 -0.289 20 0 CBADLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@@H]2CC[C@H]2O)CC1 ZINC000425724058 208032795 /nfs/dbraw/zinc/03/27/95/208032795.db2.gz KBQJJQMLFANLDS-CHWSQXEVSA-N 2 2 284.404 -0.165 20 0 CBADLP C[C@@H](C(=O)NCCCN1CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000428743606 208100075 /nfs/dbraw/zinc/10/00/75/208100075.db2.gz FUECMHOMYZYCCT-ZDUSSCGKSA-N 2 2 284.404 -0.881 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C[C@H]1CC[NH2+]C1 ZINC000427288960 208058884 /nfs/dbraw/zinc/05/88/84/208058884.db2.gz RXEVQRYVGYXQHC-VXGBXAGGSA-N 2 2 255.362 -0.177 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C[C@H]1CC[NH2+]C1 ZINC000427288960 208058890 /nfs/dbraw/zinc/05/88/90/208058890.db2.gz RXEVQRYVGYXQHC-VXGBXAGGSA-N 2 2 255.362 -0.177 20 0 CBADLP COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428034372 208076258 /nfs/dbraw/zinc/07/62/58/208076258.db2.gz SVWDIHSUEPRDBW-SRVKXCTJSA-N 2 2 298.387 -0.469 20 0 CBADLP COC[C@H](C)NC(=O)NC(=O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428034372 208076263 /nfs/dbraw/zinc/07/62/63/208076263.db2.gz SVWDIHSUEPRDBW-SRVKXCTJSA-N 2 2 298.387 -0.469 20 0 CBADLP C[C@H](C(=O)N(C)C1CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000428300210 208085262 /nfs/dbraw/zinc/08/52/62/208085262.db2.gz GYQJJYPAPFKXLS-LLVKDONJSA-N 2 2 255.362 -0.083 20 0 CBADLP C[NH+](C)C1(CNC(=O)CN2CC[NH2+]CC2=O)CCCCC1 ZINC000429733536 208130138 /nfs/dbraw/zinc/13/01/38/208130138.db2.gz WVANGIANHZDNKD-UHFFFAOYSA-N 2 2 296.415 -0.201 20 0 CBADLP C[C@H](C(=O)NCC[C@H]1CC[NH2+]C1)[NH+]1CCOCC1 ZINC000429118818 208110433 /nfs/dbraw/zinc/11/04/33/208110433.db2.gz WXOBSONHXNCUDA-VXGBXAGGSA-N 2 2 255.362 -0.177 20 0 CBADLP C[C@@H](C(=O)N1CC[C@H]([NH3+])[C@H](C)C1)[NH+]1CCOCC1 ZINC000429153768 208112870 /nfs/dbraw/zinc/11/28/70/208112870.db2.gz WTAYOBYMKDXLSF-WOPDTQHZSA-N 2 2 255.362 -0.097 20 0 CBADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C ZINC000430569358 208164261 /nfs/dbraw/zinc/16/42/61/208164261.db2.gz HMUGBLJEEFYGBA-MFKMUULPSA-N 2 2 272.393 -0.458 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)N1CC[NH+](C2CCC2)CC1 ZINC000430710467 208172850 /nfs/dbraw/zinc/17/28/50/208172850.db2.gz SEEQFZCGUPXKDW-UHFFFAOYSA-N 2 2 280.372 -0.885 20 0 CBADLP CNC(=O)[C@]1(C)CC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000430261777 208149074 /nfs/dbraw/zinc/14/90/74/208149074.db2.gz WITIWSGZQHBIFO-CQSZACIVSA-N 2 2 282.388 -0.782 20 0 CBADLP CNC(=O)[C@]1(C)CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000430261777 208149080 /nfs/dbraw/zinc/14/90/80/208149080.db2.gz WITIWSGZQHBIFO-CQSZACIVSA-N 2 2 282.388 -0.782 20 0 CBADLP CC(C)[NH+]1CCC(N(C)C(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000430743436 208178280 /nfs/dbraw/zinc/17/82/80/208178280.db2.gz OSQAUFVYJMYCHE-UHFFFAOYSA-N 2 2 296.415 -0.251 20 0 CBADLP C[C@@H]([NH3+])CC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000430764514 208178633 /nfs/dbraw/zinc/17/86/33/208178633.db2.gz SGOMLSCTYPTSJI-MNOVXSKESA-N 2 2 282.388 -0.465 20 0 CBADLP C[NH+](C)C1CC[NH+](CCNC(=O)COC2C[NH2+]C2)CC1 ZINC000430764968 208179198 /nfs/dbraw/zinc/17/91/98/208179198.db2.gz HQMXSHAPTOSUDL-UHFFFAOYSA-N 3 2 284.404 -0.883 20 0 CBADLP [NH3+]CC(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000430732632 208179938 /nfs/dbraw/zinc/17/99/38/208179938.db2.gz GSZQJEHDMRVTED-UHFFFAOYSA-N 2 2 296.415 -0.214 20 0 CBADLP C[C@H]1C[C@H](N(C)C(=O)CN2CC[NH2+]CC2=O)CC[N@@H+]1C ZINC000430793512 208180514 /nfs/dbraw/zinc/18/05/14/208180514.db2.gz LVQZKEWFFVHSES-NWDGAFQWSA-N 2 2 282.388 -0.641 20 0 CBADLP C[C@H]1C[C@H](N(C)C(=O)CN2CC[NH2+]CC2=O)CC[N@H+]1C ZINC000430793512 208180520 /nfs/dbraw/zinc/18/05/20/208180520.db2.gz LVQZKEWFFVHSES-NWDGAFQWSA-N 2 2 282.388 -0.641 20 0 CBADLP C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)CN1CC[NH2+]CC1=O ZINC000430788572 208181187 /nfs/dbraw/zinc/18/11/87/208181187.db2.gz CQZGPDHOVIICBI-STQMWFEESA-N 2 2 294.399 -0.497 20 0 CBADLP C[C@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)CN1CC[NH2+]CC1=O ZINC000430788572 208181193 /nfs/dbraw/zinc/18/11/93/208181193.db2.gz CQZGPDHOVIICBI-STQMWFEESA-N 2 2 294.399 -0.497 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@H]([NH3+])C(C)C)CC1 ZINC000430767340 208182066 /nfs/dbraw/zinc/18/20/66/208182066.db2.gz WFOZNYZMACKSDK-GFCCVEGCSA-N 2 2 270.377 -0.750 20 0 CBADLP C[NH+](C)C1CC[NH+](CCNC(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000430776885 208182354 /nfs/dbraw/zinc/18/23/54/208182354.db2.gz LGSGTBKVFBROSR-AWEZNQCLSA-N 3 2 298.431 -0.493 20 0 CBADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000430801322 208182572 /nfs/dbraw/zinc/18/25/72/208182572.db2.gz YYLYJLVWYOLZQR-WDEREUQCSA-N 2 2 282.388 -0.478 20 0 CBADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)CC2CC[NH2+]CC2)CC1 ZINC000430802384 208183687 /nfs/dbraw/zinc/18/36/87/208183687.db2.gz LYCAOYSHRSTLMS-UHFFFAOYSA-N 2 2 296.415 -0.216 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000430880221 208186309 /nfs/dbraw/zinc/18/63/09/208186309.db2.gz SHHYQPACUPHUKF-YPMHNXCESA-N 2 2 255.362 -0.177 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000430880221 208186313 /nfs/dbraw/zinc/18/63/13/208186313.db2.gz SHHYQPACUPHUKF-YPMHNXCESA-N 2 2 255.362 -0.177 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C[C@H]1CCC[NH2+]1 ZINC000430893320 208187801 /nfs/dbraw/zinc/18/78/01/208187801.db2.gz IJIVYYXNDQWWSQ-VXGBXAGGSA-N 2 2 255.362 -0.035 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C[C@H]1CCC[NH2+]1 ZINC000430893320 208187809 /nfs/dbraw/zinc/18/78/09/208187809.db2.gz IJIVYYXNDQWWSQ-VXGBXAGGSA-N 2 2 255.362 -0.035 20 0 CBADLP Cn1cc[nH+]c1CNC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000430896522 208189322 /nfs/dbraw/zinc/18/93/22/208189322.db2.gz YNFQXWIFDLVWKS-JTQLQIEISA-N 2 2 252.318 -0.195 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000430899409 208189759 /nfs/dbraw/zinc/18/97/59/208189759.db2.gz LQYDFVAEOBPASI-CYBMUJFWSA-N 2 2 294.399 -0.495 20 0 CBADLP O=C(COC1C[NH2+]C1)NCc1cn2c([nH+]1)CCCC2 ZINC000430905814 208189799 /nfs/dbraw/zinc/18/97/99/208189799.db2.gz ZOFFCKBHBBSQME-UHFFFAOYSA-N 2 2 264.329 -0.176 20 0 CBADLP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430919756 208189857 /nfs/dbraw/zinc/18/98/57/208189857.db2.gz RUKKLUZASJGLHJ-NQBHXWOUSA-N 2 2 296.415 -0.219 20 0 CBADLP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430919756 208189864 /nfs/dbraw/zinc/18/98/64/208189864.db2.gz RUKKLUZASJGLHJ-NQBHXWOUSA-N 2 2 296.415 -0.219 20 0 CBADLP C[NH2+]C1CC[NH+]([C@@H](C)C(=O)N2CCN(C(C)=O)CC2)CC1 ZINC000430917350 208190313 /nfs/dbraw/zinc/19/03/13/208190313.db2.gz CSGCFKFQWXFKMX-LBPRGKRZSA-N 2 2 296.415 -0.251 20 0 CBADLP O=C(C[NH2+]C[C@H]1CCCO1)N1CCn2cc[nH+]c2C1 ZINC000430910863 208190355 /nfs/dbraw/zinc/19/03/55/208190355.db2.gz YSKNFPRUVDOBAB-LLVKDONJSA-N 2 2 264.329 -0.006 20 0 CBADLP COCCCS(=O)(=O)NCC[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000430918826 208191705 /nfs/dbraw/zinc/19/17/05/208191705.db2.gz OAGUDNJGMDBNCM-NSHDSACASA-N 2 2 279.406 -0.777 20 0 CBADLP COCCCS(=O)(=O)NCC[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430918826 208191711 /nfs/dbraw/zinc/19/17/11/208191711.db2.gz OAGUDNJGMDBNCM-NSHDSACASA-N 2 2 279.406 -0.777 20 0 CBADLP C[C@@H]1C[N@H+](CC(=O)NCCCN2CCCC2=O)CC[C@H]1[NH3+] ZINC000430960687 208192774 /nfs/dbraw/zinc/19/27/74/208192774.db2.gz LAGAXIRXWMVFSE-CHWSQXEVSA-N 2 2 296.415 -0.216 20 0 CBADLP C[C@@H]1C[N@@H+](CC(=O)NCCCN2CCCC2=O)CC[C@H]1[NH3+] ZINC000430960687 208192776 /nfs/dbraw/zinc/19/27/76/208192776.db2.gz LAGAXIRXWMVFSE-CHWSQXEVSA-N 2 2 296.415 -0.216 20 0 CBADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H](NC(C)=O)C2)C1 ZINC000430954674 208194135 /nfs/dbraw/zinc/19/41/35/208194135.db2.gz KDTYETJEUZCTBB-ZIAGYGMSSA-N 2 2 296.415 -0.345 20 0 CBADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@@H](NC(C)=O)C2)C1 ZINC000430954674 208194138 /nfs/dbraw/zinc/19/41/38/208194138.db2.gz KDTYETJEUZCTBB-ZIAGYGMSSA-N 2 2 296.415 -0.345 20 0 CBADLP C[NH2+]CCCC(=O)NC[C@@H](C)[NH+]1CCN(C)CC1 ZINC000430999187 208195233 /nfs/dbraw/zinc/19/52/33/208195233.db2.gz BGVGEIPXGAEWNS-GFCCVEGCSA-N 2 2 256.394 -0.262 20 0 CBADLP CC[NH+]1CCN(CCCNC(=O)[C@H]2COCC[NH2+]2)CC1 ZINC000431003070 208195292 /nfs/dbraw/zinc/19/52/92/208195292.db2.gz NXZCHGPLGLJDEY-CYBMUJFWSA-N 2 2 284.404 -0.881 20 0 CBADLP CCN1CC[NH+](CCCNC(=O)[C@H]2COCC[NH2+]2)CC1 ZINC000431003070 208195299 /nfs/dbraw/zinc/19/52/99/208195299.db2.gz NXZCHGPLGLJDEY-CYBMUJFWSA-N 2 2 284.404 -0.881 20 0 CBADLP O=C(C[C@H]1C[NH2+]CCO1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000431005636 208195689 /nfs/dbraw/zinc/19/56/89/208195689.db2.gz NOAXCGFYTOPERM-LBPRGKRZSA-N 2 2 293.371 -0.568 20 0 CBADLP C[C@H](CNC(=O)[C@H]1CC[C@H]([NH3+])C1)[NH+]1CCN(C)CC1 ZINC000431013596 208197683 /nfs/dbraw/zinc/19/76/83/208197683.db2.gz YWBKMFMZYNUOKI-AGIUHOORSA-N 2 2 268.405 -0.134 20 0 CBADLP CCN1CC[NH+](CCCCNC(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000431017993 208199882 /nfs/dbraw/zinc/19/98/82/208199882.db2.gz UDRXBFHNFDKFQQ-AWEZNQCLSA-N 2 2 298.431 -0.491 20 0 CBADLP CC[NH+]1CCN(CCCCNC(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000431017993 208199885 /nfs/dbraw/zinc/19/98/85/208199885.db2.gz UDRXBFHNFDKFQQ-AWEZNQCLSA-N 2 2 298.431 -0.491 20 0 CBADLP Cn1cc(C[NH+]2CCN(C(=O)COC3C[NH2+]C3)CC2)cn1 ZINC000431010188 208200507 /nfs/dbraw/zinc/20/05/07/208200507.db2.gz MUEMFEXEDYMLST-UHFFFAOYSA-N 2 2 293.371 -0.947 20 0 CBADLP CC1(C)C[N@H+](CCNC(=O)C[NH2+]C[C@@H]2CCCO2)CCO1 ZINC000431056655 208202470 /nfs/dbraw/zinc/20/24/70/208202470.db2.gz DRVKEPDAISNAMH-ZDUSSCGKSA-N 2 2 299.415 -0.018 20 0 CBADLP CC1(C)C[N@@H+](CCNC(=O)C[NH2+]C[C@@H]2CCCO2)CCO1 ZINC000431056655 208202474 /nfs/dbraw/zinc/20/24/74/208202474.db2.gz DRVKEPDAISNAMH-ZDUSSCGKSA-N 2 2 299.415 -0.018 20 0 CBADLP CN(C)c1nc(N2CC[NH+](C(C)(C)C(N)=O)CC2)cc[nH+]1 ZINC000431819301 208213909 /nfs/dbraw/zinc/21/39/09/208213909.db2.gz ZDCRPOODRKQWLR-UHFFFAOYSA-N 2 2 292.387 -0.072 20 0 CBADLP CC(C)[C@@H](O)C[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000432939892 208235264 /nfs/dbraw/zinc/23/52/64/208235264.db2.gz PWPWDXJCSDFZSN-LBPRGKRZSA-N 2 2 257.378 -0.291 20 0 CBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C1CC[NH+](C)CC1 ZINC000434476911 208263358 /nfs/dbraw/zinc/26/33/58/208263358.db2.gz LZJSDYGNNNAWDV-CQSZACIVSA-N 2 2 299.415 -0.520 20 0 CBADLP CN(C)c1cc(NC(=O)[C@H]([NH3+])CC(N)=O)cc[nH+]1 ZINC000438890225 208312466 /nfs/dbraw/zinc/31/24/66/208312466.db2.gz LFKUXYQCAPNSCS-MRVPVSSYSA-N 2 2 251.290 -0.711 20 0 CBADLP Cc1cccc(NCCNC(=O)[C@H]([NH3+])CC(N)=O)[nH+]1 ZINC000438882811 208313028 /nfs/dbraw/zinc/31/30/28/208313028.db2.gz ALLUOQNOLWCXCC-SECBINFHSA-N 2 2 265.317 -0.879 20 0 CBADLP C[NH2+]CCCN1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000435875290 208285049 /nfs/dbraw/zinc/28/50/49/208285049.db2.gz CEGYGPYMNHPHMD-UHFFFAOYSA-N 2 2 254.378 -0.508 20 0 CBADLP C[C@@H]([NH3+])CN1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC000442667585 208359514 /nfs/dbraw/zinc/35/95/14/208359514.db2.gz YJXYMBKAFWZVTM-CHWSQXEVSA-N 2 2 268.405 -0.038 20 0 CBADLP C[C@@H]1CN(C(=O)C[NH+](C)C)[C@@H](C)CN1C(=O)C[NH+](C)C ZINC000442817366 208366635 /nfs/dbraw/zinc/36/66/35/208366635.db2.gz ZOQMNPYVFNWXME-TXEJJXNPSA-N 2 2 284.404 -0.443 20 0 CBADLP C[NH+](C)Cc1ccc(CNC(=O)[C@@H]([NH3+])CC(N)=O)cc1F ZINC000353730104 220287109 /nfs/dbraw/zinc/28/71/09/220287109.db2.gz PLXREPUNWWHKMH-LBPRGKRZSA-N 2 2 296.346 -0.294 20 0 CBADLP COCC[NH+]1CCC([NH2+]CCS(=O)(=O)N(C)C)CC1 ZINC000353852642 220369117 /nfs/dbraw/zinc/36/91/17/220369117.db2.gz UXXRKHUIRIAUCN-UHFFFAOYSA-N 2 2 293.433 -0.422 20 0 CBADLP COCCn1cc(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)cn1 ZINC000347062666 285190863 /nfs/dbraw/zinc/19/08/63/285190863.db2.gz BTBOKHHBVDZVSO-UHFFFAOYSA-N 2 2 295.387 -0.607 20 0 CBADLP COCCn1cc(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)cn1 ZINC000347062666 285190866 /nfs/dbraw/zinc/19/08/66/285190866.db2.gz BTBOKHHBVDZVSO-UHFFFAOYSA-N 2 2 295.387 -0.607 20 0 CBADLP CN(C)[C@H](C(=O)N1CC[NH+](C)CC1)c1c[nH+]cn1C ZINC000281250947 195167451 /nfs/dbraw/zinc/16/74/51/195167451.db2.gz UNQFIJUWJIKCKC-LBPRGKRZSA-N 2 2 265.361 -0.203 20 0 CBADLP [NH3+][C@H]1C[C@H]2C[N@H+](Cc3cncs3)CCN2C1=O ZINC000575073011 335062189 /nfs/dbraw/zinc/06/21/89/335062189.db2.gz NRUWWHYGFXZIAU-WPRPVWTQSA-N 2 2 252.343 -0.113 20 0 CBADLP [NH3+][C@H]1C[C@H]2C[N@@H+](Cc3cncs3)CCN2C1=O ZINC000575073011 335062191 /nfs/dbraw/zinc/06/21/91/335062191.db2.gz NRUWWHYGFXZIAU-WPRPVWTQSA-N 2 2 252.343 -0.113 20 0 CBADLP COC[C@H]([NH3+])C(=O)N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000367644482 285383972 /nfs/dbraw/zinc/38/39/72/285383972.db2.gz SZOYGTTZJJLJTN-QWRGUYRKSA-N 2 2 273.402 -0.390 20 0 CBADLP COC[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)[C@H]1CCCO1 ZINC000331252616 285397808 /nfs/dbraw/zinc/39/78/08/285397808.db2.gz UPFRJSKQQNAQNQ-QWHCGFSZSA-N 2 2 285.388 -0.456 20 0 CBADLP COC(=O)CCNC(=O)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366442669 533434186 /nfs/dbraw/zinc/43/41/86/533434186.db2.gz JUUJMYDXKRBTPR-CQSZACIVSA-N 2 2 283.372 -0.307 20 0 CBADLP COC(=O)CCNC(=O)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366442669 533434194 /nfs/dbraw/zinc/43/41/94/533434194.db2.gz JUUJMYDXKRBTPR-CQSZACIVSA-N 2 2 283.372 -0.307 20 0 CBADLP COC(=O)CCNC(=O)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000366442669 533434198 /nfs/dbraw/zinc/43/41/98/533434198.db2.gz JUUJMYDXKRBTPR-CQSZACIVSA-N 2 2 283.372 -0.307 20 0 CBADLP COC(=O)CCNC(=O)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000366442669 533434203 /nfs/dbraw/zinc/43/42/03/533434203.db2.gz JUUJMYDXKRBTPR-CQSZACIVSA-N 2 2 283.372 -0.307 20 0 CBADLP CCO[C@H]1C[C@@]([NH3+])(C(=O)N2CC[NH+](CCO)CC2)C1(C)C ZINC000133944299 286502433 /nfs/dbraw/zinc/50/24/33/286502433.db2.gz RFRJCVNBEXPFAQ-SWLSCSKDSA-N 2 2 299.415 -0.345 20 0 CBADLP C[C@H](C(=O)N1CC[N@H+](C)C[C@H]1C)N1CC[NH+](C)CC1 ZINC000346247888 298048511 /nfs/dbraw/zinc/04/85/11/298048511.db2.gz WQRCEYMLCAKREA-CHWSQXEVSA-N 2 2 268.405 -0.215 20 0 CBADLP C[C@H](C(=O)N1CC[N@@H+](C)C[C@H]1C)N1CC[NH+](C)CC1 ZINC000346247888 298048513 /nfs/dbraw/zinc/04/85/13/298048513.db2.gz WQRCEYMLCAKREA-CHWSQXEVSA-N 2 2 268.405 -0.215 20 0 CBADLP COCCCS(=O)(=O)NCC[N@H+](C)C1CC([NH3+])C1 ZINC000420326286 292371045 /nfs/dbraw/zinc/37/10/45/292371045.db2.gz DUHRMFVZYKVRIS-UHFFFAOYSA-N 2 2 279.406 -0.636 20 0 CBADLP COCCCS(=O)(=O)NCC[N@@H+](C)C1CC([NH3+])C1 ZINC000420326286 292371046 /nfs/dbraw/zinc/37/10/46/292371046.db2.gz DUHRMFVZYKVRIS-UHFFFAOYSA-N 2 2 279.406 -0.636 20 0 CBADLP C[C@@H](NC(=O)C[NH2+][C@@H]1CCCC[C@H]1[NH3+])C(=O)N(C)C ZINC000424341236 286943609 /nfs/dbraw/zinc/94/36/09/286943609.db2.gz ZNOWNJCCXHWNSJ-GMTAPVOTSA-N 2 2 270.377 -0.561 20 0 CBADLP C[C@H](C[NH+](C)C)NC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000350519942 298504555 /nfs/dbraw/zinc/50/45/55/298504555.db2.gz QOGRGDMIEKJRPK-NEPJUHHUSA-N 2 2 272.393 -0.044 20 0 CBADLP C[C@@H](O)C[N@@H+]1CCN(CC(=O)N2CC[NH+](C)CC2)C[C@@H]1C ZINC000120989257 287093877 /nfs/dbraw/zinc/09/38/77/287093877.db2.gz WOQZUIUASVIIPT-UONOGXRCSA-N 2 2 298.431 -0.853 20 0 CBADLP C[C@@H](O)C[N@H+]1CCN(CC(=O)N2CC[NH+](C)CC2)C[C@@H]1C ZINC000120989257 287093880 /nfs/dbraw/zinc/09/38/80/287093880.db2.gz WOQZUIUASVIIPT-UONOGXRCSA-N 2 2 298.431 -0.853 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)CN1CC[NH2+]CC1 ZINC000037631308 411623574 /nfs/dbraw/zinc/62/35/74/411623574.db2.gz AXWCHDZWUGTFNI-LLVKDONJSA-N 2 2 251.334 -0.707 20 0 CBADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)NCCCn1cc[nH+]c1 ZINC000284912932 196155799 /nfs/dbraw/zinc/15/57/99/196155799.db2.gz PEHLKTBLMKJMRE-MNOVXSKESA-N 2 2 252.318 -0.234 20 0 CBADLP O=C([C@H]1Cc2ccccc2C[NH2+]1)N1CC[NH+](CCO)CC1 ZINC000035609619 172295088 /nfs/dbraw/zinc/29/50/88/172295088.db2.gz YBYXOOIZZSQFDL-OAHLLOKOSA-N 2 2 289.379 -0.163 20 0 CBADLP CCn1cc[nH+]c1[C@H](C)NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000662899965 414059988 /nfs/dbraw/zinc/05/99/88/414059988.db2.gz JBTDBOKXFXJKKW-QWRGUYRKSA-N 2 2 293.371 -0.052 20 0 CBADLP C[C@H](C(=O)NC1CCCC1)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031540 174025772 /nfs/dbraw/zinc/02/57/72/174025772.db2.gz CBUUDIGJUMUZEI-GFCCVEGCSA-N 2 2 296.415 -0.203 20 0 CBADLP C[C@H](C(=O)NC1CCCC1)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031540 174025773 /nfs/dbraw/zinc/02/57/73/174025773.db2.gz CBUUDIGJUMUZEI-GFCCVEGCSA-N 2 2 296.415 -0.203 20 0 CBADLP CCCCNC(=O)[C@@H](C)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031559 174026329 /nfs/dbraw/zinc/02/63/29/174026329.db2.gz BHVJNFVWKLUSJO-GFCCVEGCSA-N 2 2 284.404 -0.345 20 0 CBADLP CCCCNC(=O)[C@@H](C)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031559 174026328 /nfs/dbraw/zinc/02/63/28/174026328.db2.gz BHVJNFVWKLUSJO-GFCCVEGCSA-N 2 2 284.404 -0.345 20 0 CBADLP CSCC[C@H]([NH3+])C(=O)N1CC[NH+](CCO)CC1 ZINC000040459836 174269814 /nfs/dbraw/zinc/26/98/14/174269814.db2.gz BPFHFDOWALEQKL-JTQLQIEISA-N 2 2 261.391 -0.797 20 0 CBADLP CN(C)C(=O)C[N@@H+]1CCCN(C(=O)[C@@H]([NH3+])C(C)(C)C)CC1 ZINC000040468289 174276754 /nfs/dbraw/zinc/27/67/54/174276754.db2.gz DNPSZYLDQUQRJM-CYBMUJFWSA-N 2 2 298.431 -0.018 20 0 CBADLP CN(C)C(=O)C[N@H+]1CCCN(C(=O)[C@@H]([NH3+])C(C)(C)C)CC1 ZINC000040468289 174276756 /nfs/dbraw/zinc/27/67/56/174276756.db2.gz DNPSZYLDQUQRJM-CYBMUJFWSA-N 2 2 298.431 -0.018 20 0 CBADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC000040601554 174351705 /nfs/dbraw/zinc/35/17/05/174351705.db2.gz AYNUBVFBOZUREY-LLVKDONJSA-N 2 2 280.372 -0.485 20 0 CBADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC000040601554 174351706 /nfs/dbraw/zinc/35/17/06/174351706.db2.gz AYNUBVFBOZUREY-LLVKDONJSA-N 2 2 280.372 -0.485 20 0 CBADLP C[C@H]([NH3+])CC(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000261845406 298951044 /nfs/dbraw/zinc/95/10/44/298951044.db2.gz LRZZJYIXZKJZRP-STQMWFEESA-N 2 2 296.415 -0.121 20 0 CBADLP C[C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)C[C@@H](O)C[NH3+] ZINC000336794642 287312707 /nfs/dbraw/zinc/31/27/07/287312707.db2.gz DONYIDLSZAZMDW-GRYCIOLGSA-N 2 2 257.378 -0.067 20 0 CBADLP C[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000336794642 287312708 /nfs/dbraw/zinc/31/27/08/287312708.db2.gz DONYIDLSZAZMDW-GRYCIOLGSA-N 2 2 257.378 -0.067 20 0 CBADLP CCCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000071147209 176043398 /nfs/dbraw/zinc/04/33/98/176043398.db2.gz UVNAXQNIQWBILK-JTQLQIEISA-N 2 2 256.350 -0.237 20 0 CBADLP CCCNC(=O)NC(=O)C[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000071147209 176043399 /nfs/dbraw/zinc/04/33/99/176043399.db2.gz UVNAXQNIQWBILK-JTQLQIEISA-N 2 2 256.350 -0.237 20 0 CBADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000353423878 287316006 /nfs/dbraw/zinc/31/60/06/287316006.db2.gz DXUUSIFOHPXRRM-RYUDHWBXSA-N 2 2 296.415 -0.217 20 0 CBADLP CCOC[C@@H](O)C[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000078699743 177373515 /nfs/dbraw/zinc/37/35/15/177373515.db2.gz KZYDGLNJPBISDL-AWEZNQCLSA-N 2 2 299.415 -0.376 20 0 CBADLP C[C@H](NC(=O)C1(C)C[NH2+]C1)[C@H](C)[NH+]1CCOCC1 ZINC000423391561 299030376 /nfs/dbraw/zinc/03/03/76/299030376.db2.gz XBNUOYIBBWFQEC-QWRGUYRKSA-N 2 2 255.362 -0.179 20 0 CBADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000347539877 226187325 /nfs/dbraw/zinc/18/73/25/226187325.db2.gz LSAOPOXGGRFKKR-LLVKDONJSA-N 2 2 272.374 -0.056 20 0 CBADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000347539877 226187329 /nfs/dbraw/zinc/18/73/29/226187329.db2.gz LSAOPOXGGRFKKR-LLVKDONJSA-N 2 2 272.374 -0.056 20 0 CBADLP O=C(CN1CC[NH2+]CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000020269885 544417491 /nfs/dbraw/zinc/41/74/91/544417491.db2.gz DHQBRLKKYXGSQS-UHFFFAOYSA-N 2 2 289.383 -0.365 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NCCn1cc[nH+]c1 ZINC000356120738 228129240 /nfs/dbraw/zinc/12/92/40/228129240.db2.gz WJBFUOWQQXJBGL-GFCCVEGCSA-N 2 2 281.360 -0.097 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NCCn1cc[nH+]c1 ZINC000356120738 228129242 /nfs/dbraw/zinc/12/92/42/228129242.db2.gz WJBFUOWQQXJBGL-GFCCVEGCSA-N 2 2 281.360 -0.097 20 0 CBADLP COCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000081355870 544428757 /nfs/dbraw/zinc/42/87/57/544428757.db2.gz WUWOTLCTRYXHJO-CHWSQXEVSA-N 2 2 285.388 -0.456 20 0 CBADLP COCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000081355870 544428759 /nfs/dbraw/zinc/42/87/59/544428759.db2.gz WUWOTLCTRYXHJO-CHWSQXEVSA-N 2 2 285.388 -0.456 20 0 CBADLP COCC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000081355870 544428760 /nfs/dbraw/zinc/42/87/60/544428760.db2.gz WUWOTLCTRYXHJO-CHWSQXEVSA-N 2 2 285.388 -0.456 20 0 CBADLP COCC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000081355870 544428762 /nfs/dbraw/zinc/42/87/62/544428762.db2.gz WUWOTLCTRYXHJO-CHWSQXEVSA-N 2 2 285.388 -0.456 20 0 CBADLP COCC[NH2+]CC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000092495957 544441575 /nfs/dbraw/zinc/44/15/75/544441575.db2.gz RFVXMRVOMQWKNA-UHFFFAOYSA-N 2 2 292.383 -0.038 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)COC1(C)C[NH2+]C1 ZINC000098061641 544446742 /nfs/dbraw/zinc/44/67/42/544446742.db2.gz GZLKIODZXSAJTI-NSHDSACASA-N 2 2 271.361 -0.798 20 0 CBADLP CS(=O)(=O)NCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000125292742 544452992 /nfs/dbraw/zinc/45/29/92/544452992.db2.gz IGGSGBHBLSXZQF-UHFFFAOYSA-N 2 2 284.385 -0.247 20 0 CBADLP COC[C@@H](CCO)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000228242482 544496511 /nfs/dbraw/zinc/49/65/11/544496511.db2.gz SQFJUGWEOZWVSD-SNVBAGLBSA-N 2 2 256.350 -0.027 20 0 CBADLP CC[NH+]1CCN(C(=O)CN2CC[NH+](C)CC2)CC1 ZINC000147086321 544464754 /nfs/dbraw/zinc/46/47/54/544464754.db2.gz IGYHPENQGKPQJJ-UHFFFAOYSA-N 2 2 254.378 -0.602 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000157972332 544473084 /nfs/dbraw/zinc/47/30/84/544473084.db2.gz ZOYDAKCJYGVFOE-ZIAGYGMSSA-N 3 2 280.416 -0.023 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000157972332 544473088 /nfs/dbraw/zinc/47/30/88/544473088.db2.gz ZOYDAKCJYGVFOE-ZIAGYGMSSA-N 3 2 280.416 -0.023 20 0 CBADLP CC[N@H+](CCNC(=O)CN1CC[NH2+]CC1=O)C(C)C ZINC000236857986 544506471 /nfs/dbraw/zinc/50/64/71/544506471.db2.gz LQGCXZHTXRGDTL-UHFFFAOYSA-N 2 2 270.377 -0.735 20 0 CBADLP CC[N@@H+](CCNC(=O)CN1CC[NH2+]CC1=O)C(C)C ZINC000236857986 544506475 /nfs/dbraw/zinc/50/64/75/544506475.db2.gz LQGCXZHTXRGDTL-UHFFFAOYSA-N 2 2 270.377 -0.735 20 0 CBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@]1(C)CCC[NH2+]C1 ZINC000237234718 544508650 /nfs/dbraw/zinc/50/86/50/544508650.db2.gz MQYWZUUXSFXYTH-DZGCQCFKSA-N 2 2 299.415 -0.472 20 0 CBADLP [NH3+]C[C@@H](NC(=O)CN1CC[NH2+]CC1=O)C1CCCCC1 ZINC000238063027 544509574 /nfs/dbraw/zinc/50/95/74/544509574.db2.gz SUECSTBONUNOQZ-GFCCVEGCSA-N 2 2 282.388 -0.558 20 0 CBADLP O=C(NCC[NH+]1CCOCC1)NC[C@@H]1CCC[NH2+]1 ZINC000258010933 544516444 /nfs/dbraw/zinc/51/64/44/544516444.db2.gz FKENPBPTNKSQTN-NSHDSACASA-N 2 2 256.350 -0.630 20 0 CBADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@](O)(CO)C1 ZINC000313635548 544529677 /nfs/dbraw/zinc/52/96/77/544529677.db2.gz LHENGIOTANLDIT-STQMWFEESA-N 2 2 260.378 -0.493 20 0 CBADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@](O)(CO)C1 ZINC000313635548 544529679 /nfs/dbraw/zinc/52/96/79/544529679.db2.gz LHENGIOTANLDIT-STQMWFEESA-N 2 2 260.378 -0.493 20 0 CBADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@](O)(CO)C1 ZINC000313635548 544529681 /nfs/dbraw/zinc/52/96/81/544529681.db2.gz LHENGIOTANLDIT-STQMWFEESA-N 2 2 260.378 -0.493 20 0 CBADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@](O)(CO)C1 ZINC000313635548 544529684 /nfs/dbraw/zinc/52/96/84/544529684.db2.gz LHENGIOTANLDIT-STQMWFEESA-N 2 2 260.378 -0.493 20 0 CBADLP OCC[N@H+](CCCn1cc[nH+]c1)CCN1CCOCC1 ZINC000342475086 544552792 /nfs/dbraw/zinc/55/27/92/544552792.db2.gz AGLPBHBRFLWWMJ-UHFFFAOYSA-N 2 2 282.388 -0.100 20 0 CBADLP OCC[N@@H+](CCCn1cc[nH+]c1)CCN1CCOCC1 ZINC000342475086 544552795 /nfs/dbraw/zinc/55/27/95/544552795.db2.gz AGLPBHBRFLWWMJ-UHFFFAOYSA-N 2 2 282.388 -0.100 20 0 CBADLP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@H](C)Cn2cc[nH+]c2)C1 ZINC000040632519 419419574 /nfs/dbraw/zinc/41/95/74/419419574.db2.gz UTTWZJOAADFKQE-OUAUKWLOSA-N 2 2 252.318 -0.235 20 0 CBADLP O=C([C@@H]1CSC[NH2+]1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000037799503 419413267 /nfs/dbraw/zinc/41/32/67/419413267.db2.gz ZQRQPIPKIWKOMK-RYUDHWBXSA-N 2 2 285.413 -0.028 20 0 CBADLP O=C([C@H]1CSC[NH2+]1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000037799505 419414105 /nfs/dbraw/zinc/41/41/05/419414105.db2.gz ZQRQPIPKIWKOMK-NWDGAFQWSA-N 2 2 285.413 -0.028 20 0 CBADLP O=C(CC[N@@H+]1CCn2c[nH+]cc2C1)N1CCOCC1 ZINC000660581030 419414852 /nfs/dbraw/zinc/41/48/52/419414852.db2.gz ZPARMIRZTJMUAF-UHFFFAOYSA-N 2 2 264.329 -0.052 20 0 CBADLP O=C(CC[N@H+]1CCn2c[nH+]cc2C1)N1CCOCC1 ZINC000660581030 419414857 /nfs/dbraw/zinc/41/48/57/419414857.db2.gz ZPARMIRZTJMUAF-UHFFFAOYSA-N 2 2 264.329 -0.052 20 0 CBADLP CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC000037819279 419415090 /nfs/dbraw/zinc/41/50/90/419415090.db2.gz ZNORKQQZFVCOEN-GXTWGEPZSA-N 2 2 298.431 -0.018 20 0 CBADLP CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC000037819279 419415096 /nfs/dbraw/zinc/41/50/96/419415096.db2.gz ZNORKQQZFVCOEN-GXTWGEPZSA-N 2 2 298.431 -0.018 20 0 CBADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCNS(C)(=O)=O)C2 ZINC000660659726 419420291 /nfs/dbraw/zinc/42/02/91/419420291.db2.gz QEIGCUSUDWMUKR-GFCCVEGCSA-N 2 2 275.418 -0.047 20 0 CBADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCNS(C)(=O)=O)C2 ZINC000660659726 419420301 /nfs/dbraw/zinc/42/03/01/419420301.db2.gz QEIGCUSUDWMUKR-GFCCVEGCSA-N 2 2 275.418 -0.047 20 0 CBADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCNS(C)(=O)=O)C2 ZINC000660659726 419420307 /nfs/dbraw/zinc/42/03/07/419420307.db2.gz QEIGCUSUDWMUKR-GFCCVEGCSA-N 2 2 275.418 -0.047 20 0 CBADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCNS(C)(=O)=O)C2 ZINC000660659726 419420318 /nfs/dbraw/zinc/42/03/18/419420318.db2.gz QEIGCUSUDWMUKR-GFCCVEGCSA-N 2 2 275.418 -0.047 20 0 CBADLP CC[C@@H](CO)[NH+]1CCN(c2nc(C)[nH+]c(N)n2)CC1 ZINC000631134337 419475994 /nfs/dbraw/zinc/47/59/94/419475994.db2.gz CHHIWCHGZAVPLL-JTQLQIEISA-N 2 2 266.349 -0.345 20 0 CBADLP Cc1nc(NCC[N@@H+](C)CCC[NH+](C)C)nc(N)[nH+]1 ZINC000631363470 419479711 /nfs/dbraw/zinc/47/97/11/419479711.db2.gz FCVKJBJKGASIHM-UHFFFAOYSA-N 3 2 267.381 -0.520 20 0 CBADLP Cc1nc(NCC[N@H+](C)CCC[NH+](C)C)nc(N)[nH+]1 ZINC000631363470 419479717 /nfs/dbraw/zinc/47/97/17/419479717.db2.gz FCVKJBJKGASIHM-UHFFFAOYSA-N 3 2 267.381 -0.520 20 0 CBADLP C[NH2+]Cc1cn(CC[N@@H+](C)CCC[NH+](C)C)nn1 ZINC000111150037 419486706 /nfs/dbraw/zinc/48/67/06/419486706.db2.gz IJEPXRVAXBBXAG-UHFFFAOYSA-N 3 2 254.382 -0.119 20 0 CBADLP CC(C)[C@H](CNC(=O)[C@@H]1C[NH2+]CCO1)[NH+]1CCN(C)CC1 ZINC000043800548 419430599 /nfs/dbraw/zinc/43/05/99/419430599.db2.gz ZMRUNRHGKRZJQC-KBPBESRZSA-N 2 2 298.431 -0.637 20 0 CBADLP CC(C)[C@H](CNC(=O)[C@@H]1C[NH2+]CCO1)N1CC[NH+](C)CC1 ZINC000043800548 419430611 /nfs/dbraw/zinc/43/06/11/419430611.db2.gz ZMRUNRHGKRZJQC-KBPBESRZSA-N 2 2 298.431 -0.637 20 0 CBADLP CN1CC(=O)N(CC[NH2+]C(C)(C)C[NH+](C)C)C1=O ZINC000660762626 419435505 /nfs/dbraw/zinc/43/55/05/419435505.db2.gz BMWGPINLESHVBD-UHFFFAOYSA-N 2 2 256.350 -0.190 20 0 CBADLP [NH3+]CCCOCCNC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000627016848 419445927 /nfs/dbraw/zinc/44/59/27/419445927.db2.gz WNJAMCYEJIWLHO-NSHDSACASA-N 2 2 281.360 -0.138 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH+]2CCC3(CNC(=O)C3)CC2)CC1 ZINC000357301883 544568738 /nfs/dbraw/zinc/56/87/38/544568738.db2.gz CUGLPDMPNADWAO-UHFFFAOYSA-N 2 2 294.399 -0.638 20 0 CBADLP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1n[nH]c(=O)o1 ZINC000660846193 419451044 /nfs/dbraw/zinc/45/10/44/419451044.db2.gz XDCHPXIFXVAELA-UHFFFAOYSA-N 2 2 283.332 -0.629 20 0 CBADLP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1n[nH]c(=O)o1 ZINC000660846193 419451053 /nfs/dbraw/zinc/45/10/53/419451053.db2.gz XDCHPXIFXVAELA-UHFFFAOYSA-N 2 2 283.332 -0.629 20 0 CBADLP COC[C@H]1C[C@@H](O)C[N@@H+]1C[C@H](O)C[NH+](C)C(C)C ZINC000660919027 419458178 /nfs/dbraw/zinc/45/81/78/419458178.db2.gz WTMMQHZHEBLIQF-JHJVBQTASA-N 2 2 260.378 -0.231 20 0 CBADLP COC[C@H]1C[C@@H](O)C[N@H+]1C[C@H](O)C[NH+](C)C(C)C ZINC000660919027 419458187 /nfs/dbraw/zinc/45/81/87/419458187.db2.gz WTMMQHZHEBLIQF-JHJVBQTASA-N 2 2 260.378 -0.231 20 0 CBADLP COC[C@H]1C[C@@H](O)C[NH+]1C[C@H](O)C[N@H+](C)C(C)C ZINC000660919027 419458195 /nfs/dbraw/zinc/45/81/95/419458195.db2.gz WTMMQHZHEBLIQF-JHJVBQTASA-N 2 2 260.378 -0.231 20 0 CBADLP COC[C@H]1C[C@@H](O)C[NH+]1C[C@H](O)C[N@@H+](C)C(C)C ZINC000660919027 419458203 /nfs/dbraw/zinc/45/82/03/419458203.db2.gz WTMMQHZHEBLIQF-JHJVBQTASA-N 2 2 260.378 -0.231 20 0 CBADLP Cc1nc(N2CC[NH+](CCC(=O)N(C)C)CC2)nc(N)[nH+]1 ZINC000631166446 419470077 /nfs/dbraw/zinc/47/00/77/419470077.db2.gz IYQLOXLHEFKSEK-UHFFFAOYSA-N 2 2 293.375 -0.637 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](Cn2ccnn2)C1 ZINC000661143612 419469948 /nfs/dbraw/zinc/46/99/48/419469948.db2.gz UZNUSLSSFHQODT-KGLIPLIRSA-N 2 2 297.403 -0.461 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](Cn2ccnn2)C1 ZINC000661143612 419469954 /nfs/dbraw/zinc/46/99/54/419469954.db2.gz UZNUSLSSFHQODT-KGLIPLIRSA-N 2 2 297.403 -0.461 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000661143612 419469963 /nfs/dbraw/zinc/46/99/63/419469963.db2.gz UZNUSLSSFHQODT-KGLIPLIRSA-N 2 2 297.403 -0.461 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000661143612 419469968 /nfs/dbraw/zinc/46/99/68/419469968.db2.gz UZNUSLSSFHQODT-KGLIPLIRSA-N 2 2 297.403 -0.461 20 0 CBADLP Cc1nc(N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)nc(N)[nH+]1 ZINC000631215324 419471673 /nfs/dbraw/zinc/47/16/73/419471673.db2.gz QSQOWPRDRLWGEY-BDAKNGLRSA-N 2 2 266.349 -0.346 20 0 CBADLP Cc1nc(N2CC[N@H+](C[C@H](C)O)C[C@H]2C)nc(N)[nH+]1 ZINC000631215324 419471677 /nfs/dbraw/zinc/47/16/77/419471677.db2.gz QSQOWPRDRLWGEY-BDAKNGLRSA-N 2 2 266.349 -0.346 20 0 CBADLP Cc1nc(N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)nc(N)[nH+]1 ZINC000631098741 419473400 /nfs/dbraw/zinc/47/34/00/419473400.db2.gz RZLKBPALEHSAPG-GHMZBOCLSA-N 2 2 278.360 -0.202 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2C[C@H]3COC[C@@]3(C)C2)CC1 ZINC000661702539 419522617 /nfs/dbraw/zinc/52/26/17/419522617.db2.gz QIKBNGXVIWWVTQ-GXTWGEPZSA-N 2 2 267.373 -0.271 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2C[C@H]3COC[C@@]3(C)C2)CC1 ZINC000661702539 419522625 /nfs/dbraw/zinc/52/26/25/419522625.db2.gz QIKBNGXVIWWVTQ-GXTWGEPZSA-N 2 2 267.373 -0.271 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1[C@@H](C)O ZINC000661767816 419525140 /nfs/dbraw/zinc/52/51/40/419525140.db2.gz RNCBZOSJTNBCPG-JHJVBQTASA-N 2 2 260.378 -0.229 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1[C@@H](C)O ZINC000661767816 419525146 /nfs/dbraw/zinc/52/51/46/419525146.db2.gz RNCBZOSJTNBCPG-JHJVBQTASA-N 2 2 260.378 -0.229 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H]1[C@@H](C)O ZINC000661767816 419525150 /nfs/dbraw/zinc/52/51/50/419525150.db2.gz RNCBZOSJTNBCPG-JHJVBQTASA-N 2 2 260.378 -0.229 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H]1[C@@H](C)O ZINC000661767816 419525158 /nfs/dbraw/zinc/52/51/58/419525158.db2.gz RNCBZOSJTNBCPG-JHJVBQTASA-N 2 2 260.378 -0.229 20 0 CBADLP CC[NH2+][C@@H](C)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000638109539 419527478 /nfs/dbraw/zinc/52/74/78/419527478.db2.gz GKAUVAIXNDHQOM-LBPRGKRZSA-N 2 2 295.387 0.152 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(c2nnc(N)o2)CC1 ZINC000639724824 419535837 /nfs/dbraw/zinc/53/58/37/419535837.db2.gz PUCWLJJFQVJQBR-NSHDSACASA-N 2 2 283.376 0.144 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(c2nnc(N)o2)CC1 ZINC000639724824 419535843 /nfs/dbraw/zinc/53/58/43/419535843.db2.gz PUCWLJJFQVJQBR-NSHDSACASA-N 2 2 283.376 0.144 20 0 CBADLP C[C@@H]1CN(CC[N@H+]2CCOC[C@@H]2C)CC[NH+]1CCO ZINC000192811330 419538579 /nfs/dbraw/zinc/53/85/79/419538579.db2.gz RNFMVTMDAFFRSR-KGLIPLIRSA-N 2 2 271.405 -0.295 20 0 CBADLP C[C@@H]1CN(CC[N@@H+]2CCOC[C@@H]2C)CC[NH+]1CCO ZINC000192811330 419538581 /nfs/dbraw/zinc/53/85/81/419538581.db2.gz RNFMVTMDAFFRSR-KGLIPLIRSA-N 2 2 271.405 -0.295 20 0 CBADLP C[C@@H]1CN(CC[NH+]2CCOC[C@@H]2C)CC[N@@H+]1CCO ZINC000192811330 419538587 /nfs/dbraw/zinc/53/85/87/419538587.db2.gz RNFMVTMDAFFRSR-KGLIPLIRSA-N 2 2 271.405 -0.295 20 0 CBADLP C[C@@H]1CN(CC[NH+]2CCOC[C@@H]2C)CC[N@H+]1CCO ZINC000192811330 419538591 /nfs/dbraw/zinc/53/85/91/419538591.db2.gz RNFMVTMDAFFRSR-KGLIPLIRSA-N 2 2 271.405 -0.295 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)N2CC[NH+](C)CC2)CC1 ZINC000192687422 419538901 /nfs/dbraw/zinc/53/89/01/419538901.db2.gz KOOHDFRYNIWYDD-ZDUSSCGKSA-N 2 2 268.405 -0.214 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC2(COC2)C1 ZINC000662075082 419545022 /nfs/dbraw/zinc/54/50/22/419545022.db2.gz WGKKDRIMRYTCOJ-GFCCVEGCSA-N 2 2 258.362 -0.352 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC2(COC2)C1 ZINC000662075082 419545026 /nfs/dbraw/zinc/54/50/26/419545026.db2.gz WGKKDRIMRYTCOJ-GFCCVEGCSA-N 2 2 258.362 -0.352 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC2(COC2)C1 ZINC000662075082 419545033 /nfs/dbraw/zinc/54/50/33/419545033.db2.gz WGKKDRIMRYTCOJ-GFCCVEGCSA-N 2 2 258.362 -0.352 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC2(COC2)C1 ZINC000662075082 419545038 /nfs/dbraw/zinc/54/50/38/419545038.db2.gz WGKKDRIMRYTCOJ-GFCCVEGCSA-N 2 2 258.362 -0.352 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCc3nccnc3C2)CC1 ZINC000662120631 419545185 /nfs/dbraw/zinc/54/51/85/419545185.db2.gz HRSRWAXZQUWCRN-UHFFFAOYSA-N 2 2 289.383 -0.001 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCc3nccnc3C2)CC1 ZINC000662120631 419545193 /nfs/dbraw/zinc/54/51/93/419545193.db2.gz HRSRWAXZQUWCRN-UHFFFAOYSA-N 2 2 289.383 -0.001 20 0 CBADLP CC[N@H+](C)CCNC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000194838402 419552537 /nfs/dbraw/zinc/55/25/37/419552537.db2.gz DQQIQWFJGCHCBB-GFCCVEGCSA-N 2 2 272.393 -0.042 20 0 CBADLP CC[N@@H+](C)CCNC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000194838402 419552559 /nfs/dbraw/zinc/55/25/59/419552559.db2.gz DQQIQWFJGCHCBB-GFCCVEGCSA-N 2 2 272.393 -0.042 20 0 CBADLP Cc1cc(NC[C@]2(CO)COCC[NH2+]2)nc(C2CC2)[nH+]1 ZINC000641690513 419557434 /nfs/dbraw/zinc/55/74/34/419557434.db2.gz YEOCRFPQAWKGHD-AWEZNQCLSA-N 2 2 278.356 0.425 20 0 CBADLP Cc1cc(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)ncn1 ZINC000662245342 419561341 /nfs/dbraw/zinc/56/13/41/419561341.db2.gz UCBYVQWKFRNVNO-UHFFFAOYSA-N 2 2 263.345 -0.351 20 0 CBADLP Cc1cc(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)ncn1 ZINC000662245342 419561349 /nfs/dbraw/zinc/56/13/49/419561349.db2.gz UCBYVQWKFRNVNO-UHFFFAOYSA-N 2 2 263.345 -0.351 20 0 CBADLP C[C@H](CS(C)(=O)=O)[N@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662256892 419562669 /nfs/dbraw/zinc/56/26/69/419562669.db2.gz ZARLPRDVMWFDQJ-GHMZBOCLSA-N 2 2 276.402 -0.128 20 0 CBADLP C[C@H](CS(C)(=O)=O)[N@@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662256892 419562670 /nfs/dbraw/zinc/56/26/70/419562670.db2.gz ZARLPRDVMWFDQJ-GHMZBOCLSA-N 2 2 276.402 -0.128 20 0 CBADLP O=C1NCCN1[C@H]1CCC[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662254928 419562798 /nfs/dbraw/zinc/56/27/98/419562798.db2.gz VARLNJSMFMNEPV-NWDGAFQWSA-N 2 2 268.361 -0.536 20 0 CBADLP O=C1NCCN1[C@H]1CCC[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662254928 419562802 /nfs/dbraw/zinc/56/28/02/419562802.db2.gz VARLNJSMFMNEPV-NWDGAFQWSA-N 2 2 268.361 -0.536 20 0 CBADLP CS(=O)(=O)NC[C@H]1CCC[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662250294 419563257 /nfs/dbraw/zinc/56/32/57/419563257.db2.gz DIRRXVHIVVKZDM-VXGBXAGGSA-N 2 2 291.417 -0.764 20 0 CBADLP CS(=O)(=O)NC[C@H]1CCC[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662250294 419563259 /nfs/dbraw/zinc/56/32/59/419563259.db2.gz DIRRXVHIVVKZDM-VXGBXAGGSA-N 2 2 291.417 -0.764 20 0 CBADLP C[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)[C@@H]1CCS(=O)(=O)C1 ZINC000662249209 419564012 /nfs/dbraw/zinc/56/40/12/419564012.db2.gz JPEZFFISRIXFIA-MNOVXSKESA-N 2 2 274.386 -0.374 20 0 CBADLP C[N@@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)[C@@H]1CCS(=O)(=O)C1 ZINC000662249209 419564019 /nfs/dbraw/zinc/56/40/19/419564019.db2.gz JPEZFFISRIXFIA-MNOVXSKESA-N 2 2 274.386 -0.374 20 0 CBADLP CCN1CC[C@@H]([N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1=O ZINC000662266783 419565576 /nfs/dbraw/zinc/56/55/76/419565576.db2.gz MHWDDKLUAZEBLL-QWHCGFSZSA-N 2 2 294.399 -0.497 20 0 CBADLP CCN1CC[C@@H]([N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1=O ZINC000662266783 419565580 /nfs/dbraw/zinc/56/55/80/419565580.db2.gz MHWDDKLUAZEBLL-QWHCGFSZSA-N 2 2 294.399 -0.497 20 0 CBADLP CCOCC[N@@H+]1CCN(C(=O)[C@@H]2COCC[NH2+]2)C[C@H]1CC ZINC000168073524 419503069 /nfs/dbraw/zinc/50/30/69/419503069.db2.gz SIOMTXAOGJAIBG-KGLIPLIRSA-N 2 2 299.415 -0.066 20 0 CBADLP CCOCC[N@H+]1CCN(C(=O)[C@@H]2COCC[NH2+]2)C[C@H]1CC ZINC000168073524 419503083 /nfs/dbraw/zinc/50/30/83/419503083.db2.gz SIOMTXAOGJAIBG-KGLIPLIRSA-N 2 2 299.415 -0.066 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)CC1 ZINC000661610104 419508748 /nfs/dbraw/zinc/50/87/48/419508748.db2.gz QQXGIFKPXFCBNR-QWHCGFSZSA-N 2 2 294.399 -0.639 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)CC1 ZINC000661610104 419508752 /nfs/dbraw/zinc/50/87/52/419508752.db2.gz QQXGIFKPXFCBNR-QWHCGFSZSA-N 2 2 294.399 -0.639 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)C[C@H]1COCCO1 ZINC000661615257 419510060 /nfs/dbraw/zinc/51/00/60/419510060.db2.gz XYMMIQHRJVVPBQ-OLZOCXBDSA-N 2 2 276.377 -0.727 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)C[C@H]1COCCO1 ZINC000661615257 419510066 /nfs/dbraw/zinc/51/00/66/419510066.db2.gz XYMMIQHRJVVPBQ-OLZOCXBDSA-N 2 2 276.377 -0.727 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)C[C@H]1COCCO1 ZINC000661615257 419510068 /nfs/dbraw/zinc/51/00/68/419510068.db2.gz XYMMIQHRJVVPBQ-OLZOCXBDSA-N 2 2 276.377 -0.727 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)C[C@H]1COCCO1 ZINC000661615257 419510075 /nfs/dbraw/zinc/51/00/75/419510075.db2.gz XYMMIQHRJVVPBQ-OLZOCXBDSA-N 2 2 276.377 -0.727 20 0 CBADLP CC[N@H+](CCO)CCNC(=O)NCCCn1cc[nH+]c1 ZINC000183904094 419516142 /nfs/dbraw/zinc/51/61/42/419516142.db2.gz WUZCIQLGIBNNQC-UHFFFAOYSA-N 2 2 283.376 -0.113 20 0 CBADLP CC[N@@H+](CCO)CCNC(=O)NCCCn1cc[nH+]c1 ZINC000183904094 419516148 /nfs/dbraw/zinc/51/61/48/419516148.db2.gz WUZCIQLGIBNNQC-UHFFFAOYSA-N 2 2 283.376 -0.113 20 0 CBADLP CC(C)OC[C@H]([NH3+])C(=O)NCC[N@@H+]1CCCOCC1 ZINC000662537242 419634901 /nfs/dbraw/zinc/63/49/01/419634901.db2.gz YOFFYJGHVSDIJO-LBPRGKRZSA-N 2 2 273.377 -0.423 20 0 CBADLP CC(C)OC[C@H]([NH3+])C(=O)NCC[N@H+]1CCCOCC1 ZINC000662537242 419634912 /nfs/dbraw/zinc/63/49/12/419634912.db2.gz YOFFYJGHVSDIJO-LBPRGKRZSA-N 2 2 273.377 -0.423 20 0 CBADLP NS(=O)(=O)c1cc(C[NH2+]CC2([NH3+])CCC2)co1 ZINC000662267017 419569352 /nfs/dbraw/zinc/56/93/52/419569352.db2.gz RQZOHJZSGOMLJG-UHFFFAOYSA-N 2 2 259.331 -0.102 20 0 CBADLP CC[NH+](CC)CCCCNC(=O)CN1CC[NH2+]CC1=O ZINC000236844045 419570720 /nfs/dbraw/zinc/57/07/20/419570720.db2.gz KNVANONHIFQNME-UHFFFAOYSA-N 2 2 284.404 -0.344 20 0 CBADLP O=C(C[C@H]1CC[NH2+]C1)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000394388153 544580335 /nfs/dbraw/zinc/58/03/35/544580335.db2.gz YBDQHIFFZJNSEB-OLZOCXBDSA-N 2 2 266.389 -0.508 20 0 CBADLP O=C(C[C@H]1CC[NH2+]C1)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000394388153 544580338 /nfs/dbraw/zinc/58/03/38/544580338.db2.gz YBDQHIFFZJNSEB-OLZOCXBDSA-N 2 2 266.389 -0.508 20 0 CBADLP O=C(C1CC1)N1CCC[N@H+](C[C@@H]2C[NH2+]CCO2)CC1 ZINC000662276167 419572645 /nfs/dbraw/zinc/57/26/45/419572645.db2.gz GFUWZARWVJWTDC-ZDUSSCGKSA-N 2 2 267.373 -0.081 20 0 CBADLP O=C(C1CC1)N1CCC[N@@H+](C[C@@H]2C[NH2+]CCO2)CC1 ZINC000662276167 419572653 /nfs/dbraw/zinc/57/26/53/419572653.db2.gz GFUWZARWVJWTDC-ZDUSSCGKSA-N 2 2 267.373 -0.081 20 0 CBADLP NC(=O)c1cccc(C[NH2+]C2(CO)CC[NH2+]CC2)c1 ZINC000662285378 419572703 /nfs/dbraw/zinc/57/27/03/419572703.db2.gz FDSSWYWKZRCISD-UHFFFAOYSA-N 2 2 263.341 -0.010 20 0 CBADLP C[NH+](C)CC[C@@H](NC(=O)CN1CC[NH2+]CC1=O)C(C)(C)C ZINC000236982584 419572607 /nfs/dbraw/zinc/57/26/07/419572607.db2.gz GLIGVFDYZQJSDN-GFCCVEGCSA-N 2 2 298.431 -0.099 20 0 CBADLP C[C@@H]1CCCN(C(=O)C[NH2+]C2(CO)CC[NH2+]CC2)C1 ZINC000662286008 419572777 /nfs/dbraw/zinc/57/27/77/419572777.db2.gz FXMHVDMXIQVBBT-GFCCVEGCSA-N 2 2 269.389 -0.051 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@@]2(C)CC[NH2+]C2)CC1 ZINC000237113608 419576025 /nfs/dbraw/zinc/57/60/25/419576025.db2.gz IPLUKWLNQQHLEH-ZDUSSCGKSA-N 2 2 255.362 -0.223 20 0 CBADLP [NH3+]CC[N@H+](CCCC1CC[NH2+]CC1)C[C@H](O)CO ZINC000662287458 419576593 /nfs/dbraw/zinc/57/65/93/419576593.db2.gz AIGSVFWMZPMGDB-ZDUSSCGKSA-N 3 2 259.394 -0.620 20 0 CBADLP [NH3+]CC[N@@H+](CCCC1CC[NH2+]CC1)C[C@H](O)CO ZINC000662287458 419576602 /nfs/dbraw/zinc/57/66/02/419576602.db2.gz AIGSVFWMZPMGDB-ZDUSSCGKSA-N 3 2 259.394 -0.620 20 0 CBADLP CCC(C)(C)NC(=O)C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000662286047 419576660 /nfs/dbraw/zinc/57/66/60/419576660.db2.gz RJZYNVFZTNTKJW-UHFFFAOYSA-N 2 2 257.378 -0.005 20 0 CBADLP [NH3+]CC[N@H+](CCC(=O)Nc1ccc(F)cc1)C[C@@H](O)CO ZINC000662288292 419577001 /nfs/dbraw/zinc/57/70/01/419577001.db2.gz NSHNYRSMFOISBL-CYBMUJFWSA-N 2 2 299.346 -0.232 20 0 CBADLP [NH3+]CC[N@@H+](CCC(=O)Nc1ccc(F)cc1)C[C@@H](O)CO ZINC000662288292 419577007 /nfs/dbraw/zinc/57/70/07/419577007.db2.gz NSHNYRSMFOISBL-CYBMUJFWSA-N 2 2 299.346 -0.232 20 0 CBADLP O=C(C[C@@H]1CSCC[NH2+]1)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000394381427 544581024 /nfs/dbraw/zinc/58/10/24/544581024.db2.gz RTENYEQVCAVWAB-OLZOCXBDSA-N 2 2 298.456 -0.412 20 0 CBADLP O=C(C[C@@H]1CSCC[NH2+]1)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000394381427 544581029 /nfs/dbraw/zinc/58/10/29/544581029.db2.gz RTENYEQVCAVWAB-OLZOCXBDSA-N 2 2 298.456 -0.412 20 0 CBADLP C([C@@H]1C[NH2+]CCO1)[N@@H+]1CCOC2(CCOCC2)C1 ZINC000662286187 419577283 /nfs/dbraw/zinc/57/72/83/419577283.db2.gz PKZKDUPHVJCGTB-LBPRGKRZSA-N 2 2 256.346 -0.144 20 0 CBADLP C([C@@H]1C[NH2+]CCO1)[N@H+]1CCOC2(CCOCC2)C1 ZINC000662286187 419577292 /nfs/dbraw/zinc/57/72/92/419577292.db2.gz PKZKDUPHVJCGTB-LBPRGKRZSA-N 2 2 256.346 -0.144 20 0 CBADLP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)CN2CC[NH2+]CC2=O)C1 ZINC000237184414 419577928 /nfs/dbraw/zinc/57/79/28/419577928.db2.gz CYIYKWAZNLJQSE-NWDGAFQWSA-N 2 2 282.388 -0.593 20 0 CBADLP O=C(C[C@H]1CC[NH2+]C1)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000394388152 544581119 /nfs/dbraw/zinc/58/11/19/544581119.db2.gz YBDQHIFFZJNSEB-CHWSQXEVSA-N 2 2 266.389 -0.508 20 0 CBADLP O=C(C[C@H]1CC[NH2+]C1)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000394388152 544581121 /nfs/dbraw/zinc/58/11/21/544581121.db2.gz YBDQHIFFZJNSEB-CHWSQXEVSA-N 2 2 266.389 -0.508 20 0 CBADLP C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(C(=O)CC[NH3+])CC1 ZINC000237472700 419580804 /nfs/dbraw/zinc/58/08/04/419580804.db2.gz APTQYVZPRZBVQA-LBPRGKRZSA-N 2 2 296.415 -0.073 20 0 CBADLP [NH3+]CC[N@H+](CCC(=O)Nc1cccnc1)C[C@@H](O)CO ZINC000662288922 419581070 /nfs/dbraw/zinc/58/10/70/419581070.db2.gz VGFFMWFZGRGXQK-GFCCVEGCSA-N 2 2 282.344 -0.976 20 0 CBADLP [NH3+]CC[N@@H+](CCC(=O)Nc1cccnc1)C[C@@H](O)CO ZINC000662288922 419581074 /nfs/dbraw/zinc/58/10/74/419581074.db2.gz VGFFMWFZGRGXQK-GFCCVEGCSA-N 2 2 282.344 -0.976 20 0 CBADLP [NH3+]CC[N@H+](CCC(=O)Nc1cccnc1)C[C@H](O)CO ZINC000662288923 419581235 /nfs/dbraw/zinc/58/12/35/419581235.db2.gz VGFFMWFZGRGXQK-LBPRGKRZSA-N 2 2 282.344 -0.976 20 0 CBADLP [NH3+]CC[N@@H+](CCC(=O)Nc1cccnc1)C[C@H](O)CO ZINC000662288923 419581240 /nfs/dbraw/zinc/58/12/40/419581240.db2.gz VGFFMWFZGRGXQK-LBPRGKRZSA-N 2 2 282.344 -0.976 20 0 CBADLP C[NH+](C)CCC[C@@H]1C[N@H+](CCNS(C)(=O)=O)CCO1 ZINC000662320518 419583623 /nfs/dbraw/zinc/58/36/23/419583623.db2.gz CARSBJXJOUXZAN-GFCCVEGCSA-N 2 2 293.433 -0.422 20 0 CBADLP C[NH+](C)CCC[C@@H]1C[N@@H+](CCNS(C)(=O)=O)CCO1 ZINC000662320518 419583633 /nfs/dbraw/zinc/58/36/33/419583633.db2.gz CARSBJXJOUXZAN-GFCCVEGCSA-N 2 2 293.433 -0.422 20 0 CBADLP C[NH+](C)CCC[C@H]1C[N@H+](CCN2C(=O)CNC2=O)CCO1 ZINC000662324208 419584272 /nfs/dbraw/zinc/58/42/72/419584272.db2.gz VZNVLBPZZFWZBV-LBPRGKRZSA-N 2 2 298.387 -0.419 20 0 CBADLP C[NH+](C)CCC[C@H]1C[N@@H+](CCN2C(=O)CNC2=O)CCO1 ZINC000662324208 419584280 /nfs/dbraw/zinc/58/42/80/419584280.db2.gz VZNVLBPZZFWZBV-LBPRGKRZSA-N 2 2 298.387 -0.419 20 0 CBADLP Nc1ccc(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cn1 ZINC000647519141 419596809 /nfs/dbraw/zinc/59/68/09/419596809.db2.gz KXCWYRQOZZCMLK-ZDUSSCGKSA-N 2 2 289.383 0.060 20 0 CBADLP Nc1ccc(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cn1 ZINC000647519141 419596815 /nfs/dbraw/zinc/59/68/15/419596815.db2.gz KXCWYRQOZZCMLK-ZDUSSCGKSA-N 2 2 289.383 0.060 20 0 CBADLP CNC(=O)[C@@H](CO)[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000647526550 419602541 /nfs/dbraw/zinc/60/25/41/419602541.db2.gz GHSCCDWRBVAINN-UONOGXRCSA-N 2 2 295.383 -0.824 20 0 CBADLP CNC(=O)[C@@H](CO)[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000647526550 419602549 /nfs/dbraw/zinc/60/25/49/419602549.db2.gz GHSCCDWRBVAINN-UONOGXRCSA-N 2 2 295.383 -0.824 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C)C[C@@H](CO)C1 ZINC000398759919 544584153 /nfs/dbraw/zinc/58/41/53/544584153.db2.gz IBYYZVXMKSZIHF-MCIONIFRSA-N 2 2 274.405 -0.124 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C)C[C@@H](CO)C1 ZINC000398759919 544584154 /nfs/dbraw/zinc/58/41/54/544584154.db2.gz IBYYZVXMKSZIHF-MCIONIFRSA-N 2 2 274.405 -0.124 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C)C[C@@H](CO)C1 ZINC000398759919 544584158 /nfs/dbraw/zinc/58/41/58/544584158.db2.gz IBYYZVXMKSZIHF-MCIONIFRSA-N 2 2 274.405 -0.124 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](C)C[C@@H](CO)C1 ZINC000398759919 544584160 /nfs/dbraw/zinc/58/41/60/544584160.db2.gz IBYYZVXMKSZIHF-MCIONIFRSA-N 2 2 274.405 -0.124 20 0 CBADLP CC(C)OC[C@H]([NH3+])C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000662446508 419606150 /nfs/dbraw/zinc/60/61/50/419606150.db2.gz FJWGMXRTZZRFCA-AGIUHOORSA-N 2 2 287.404 -0.036 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](O)CC[C@@H]1C ZINC000399216997 544584251 /nfs/dbraw/zinc/58/42/51/544584251.db2.gz ULPBZGJVDXMIPB-AVGNSLFASA-N 2 2 260.378 -0.229 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](O)CC[C@@H]1C ZINC000399216997 544584255 /nfs/dbraw/zinc/58/42/55/544584255.db2.gz ULPBZGJVDXMIPB-AVGNSLFASA-N 2 2 260.378 -0.229 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](O)CC[C@@H]1C ZINC000399216997 544584257 /nfs/dbraw/zinc/58/42/57/544584257.db2.gz ULPBZGJVDXMIPB-AVGNSLFASA-N 2 2 260.378 -0.229 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](O)CC[C@@H]1C ZINC000399216997 544584262 /nfs/dbraw/zinc/58/42/62/544584262.db2.gz ULPBZGJVDXMIPB-AVGNSLFASA-N 2 2 260.378 -0.229 20 0 CBADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H]1COC[C@H]1O ZINC000647536875 419606649 /nfs/dbraw/zinc/60/66/49/419606649.db2.gz QBEDUSPRLCJYLH-RRFJBIMHSA-N 2 2 280.368 -0.171 20 0 CBADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H]1COC[C@H]1O ZINC000647536875 419606654 /nfs/dbraw/zinc/60/66/54/419606654.db2.gz QBEDUSPRLCJYLH-RRFJBIMHSA-N 2 2 280.368 -0.171 20 0 CBADLP CC(C)OC[C@H]([NH3+])C(=O)NCC[NH+]1CCSCC1 ZINC000662458071 419614453 /nfs/dbraw/zinc/61/44/53/419614453.db2.gz RDTVEIJYOFMMMP-NSHDSACASA-N 2 2 275.418 -0.096 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCCC[C@H]1CO ZINC000310924600 419619924 /nfs/dbraw/zinc/61/99/24/419619924.db2.gz SXYPNBTZOHWROG-QWHCGFSZSA-N 2 2 260.378 -0.228 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC[C@H]1CO ZINC000310924600 419619928 /nfs/dbraw/zinc/61/99/28/419619928.db2.gz SXYPNBTZOHWROG-QWHCGFSZSA-N 2 2 260.378 -0.228 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCCC[C@H]1CO ZINC000310924600 419619934 /nfs/dbraw/zinc/61/99/34/419619934.db2.gz SXYPNBTZOHWROG-QWHCGFSZSA-N 2 2 260.378 -0.228 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCCC[C@H]1CO ZINC000310924600 419619939 /nfs/dbraw/zinc/61/99/39/419619939.db2.gz SXYPNBTZOHWROG-QWHCGFSZSA-N 2 2 260.378 -0.228 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1CO ZINC000310924599 419621029 /nfs/dbraw/zinc/62/10/29/419621029.db2.gz SXYPNBTZOHWROG-OLZOCXBDSA-N 2 2 260.378 -0.228 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1CO ZINC000310924599 419621037 /nfs/dbraw/zinc/62/10/37/419621037.db2.gz SXYPNBTZOHWROG-OLZOCXBDSA-N 2 2 260.378 -0.228 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@@H]1CO ZINC000310924599 419621041 /nfs/dbraw/zinc/62/10/41/419621041.db2.gz SXYPNBTZOHWROG-OLZOCXBDSA-N 2 2 260.378 -0.228 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@@H]1CO ZINC000310924599 419621050 /nfs/dbraw/zinc/62/10/50/419621050.db2.gz SXYPNBTZOHWROG-OLZOCXBDSA-N 2 2 260.378 -0.228 20 0 CBADLP O=C(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)NC[C@@H]1CCCO1 ZINC000312044317 419624338 /nfs/dbraw/zinc/62/43/38/419624338.db2.gz YAWGAEUKIJOALQ-UPJWGTAASA-N 2 2 267.373 -0.177 20 0 CBADLP O=C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)NC[C@@H]1CCCO1 ZINC000312044317 419624346 /nfs/dbraw/zinc/62/43/46/419624346.db2.gz YAWGAEUKIJOALQ-UPJWGTAASA-N 2 2 267.373 -0.177 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)C[NH2+]C[C@@H]2CCCO2)[C@@H](C)CO1 ZINC000662632220 419661074 /nfs/dbraw/zinc/66/10/74/419661074.db2.gz YSOBTCBHZKNFNW-MJBXVCDLSA-N 2 2 299.415 -0.020 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)C[NH2+]C[C@@H]2CCCO2)[C@@H](C)CO1 ZINC000662632220 419661080 /nfs/dbraw/zinc/66/10/80/419661080.db2.gz YSOBTCBHZKNFNW-MJBXVCDLSA-N 2 2 299.415 -0.020 20 0 CBADLP COC[C@]1(C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)CC[NH2+]C1 ZINC000662635569 419661637 /nfs/dbraw/zinc/66/16/37/419661637.db2.gz WRSCXSGPPURMRM-GUTXKFCHSA-N 2 2 299.415 -0.162 20 0 CBADLP COC[C@]1(C(=O)NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)CC[NH2+]C1 ZINC000662635569 419661647 /nfs/dbraw/zinc/66/16/47/419661647.db2.gz WRSCXSGPPURMRM-GUTXKFCHSA-N 2 2 299.415 -0.162 20 0 CBADLP C[C@H](c1nnnn1C)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647836201 419669708 /nfs/dbraw/zinc/66/97/08/419669708.db2.gz NKTJGAFFHQWBTI-SNVBAGLBSA-N 2 2 253.354 -0.892 20 0 CBADLP C[C@H](c1nnnn1C)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647836201 419669711 /nfs/dbraw/zinc/66/97/11/419669711.db2.gz NKTJGAFFHQWBTI-SNVBAGLBSA-N 2 2 253.354 -0.892 20 0 CBADLP CC[C@@H]([NH2+]C)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000662655504 419671842 /nfs/dbraw/zinc/67/18/42/419671842.db2.gz ILDMFBJDPWECJM-NWDGAFQWSA-N 2 2 255.362 -0.083 20 0 CBADLP CC[N@@H+]1CCc2nc(NC(=O)C3(O)C[NH2+]C3)sc2C1 ZINC000662662137 419675432 /nfs/dbraw/zinc/67/54/32/419675432.db2.gz ZYOAUJORTFNUIP-UHFFFAOYSA-N 2 2 282.369 -0.206 20 0 CBADLP CC[N@H+]1CCc2nc(NC(=O)C3(O)C[NH2+]C3)sc2C1 ZINC000662662137 419675440 /nfs/dbraw/zinc/67/54/40/419675440.db2.gz ZYOAUJORTFNUIP-UHFFFAOYSA-N 2 2 282.369 -0.206 20 0 CBADLP C[C@H]([NH3+])[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)CCO1 ZINC000647864429 419675537 /nfs/dbraw/zinc/67/55/37/419675537.db2.gz WFWGBCSOFHNNEN-JQWIXIFHSA-N 2 2 251.330 -0.067 20 0 CBADLP C[C@H]([NH3+])[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)CCO1 ZINC000647864429 419675545 /nfs/dbraw/zinc/67/55/45/419675545.db2.gz WFWGBCSOFHNNEN-JQWIXIFHSA-N 2 2 251.330 -0.067 20 0 CBADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C2(O)C[NH2+]C2)C[C@H](C)O1 ZINC000662671078 419677421 /nfs/dbraw/zinc/67/74/21/419677421.db2.gz LPVSNJPSSARVCV-PHIMTYICSA-N 2 2 285.388 -0.675 20 0 CBADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C2(O)C[NH2+]C2)C[C@H](C)O1 ZINC000662671078 419677425 /nfs/dbraw/zinc/67/74/25/419677425.db2.gz LPVSNJPSSARVCV-PHIMTYICSA-N 2 2 285.388 -0.675 20 0 CBADLP CC1CCC(NC(=O)C[N@H+](C)C[C@H](O)C[NH3+])CC1 ZINC000336794464 419677612 /nfs/dbraw/zinc/67/76/12/419677612.db2.gz CFGMZNMOIIXGQA-HTAVTVPLSA-N 2 2 257.378 -0.067 20 0 CBADLP CC1CCC(NC(=O)C[N@@H+](C)C[C@H](O)C[NH3+])CC1 ZINC000336794464 419677626 /nfs/dbraw/zinc/67/76/26/419677626.db2.gz CFGMZNMOIIXGQA-HTAVTVPLSA-N 2 2 257.378 -0.067 20 0 CBADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)CC2([NH3+])CC2)CC1 ZINC000662671848 419678629 /nfs/dbraw/zinc/67/86/29/419678629.db2.gz YLGAJJAMKYEEPZ-UHFFFAOYSA-N 2 2 296.415 -0.120 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@@H]([NH3+])COC(C)C)CC1 ZINC000662671851 419679402 /nfs/dbraw/zinc/67/94/02/419679402.db2.gz YRCFHLYBIZZSOZ-LBPRGKRZSA-N 2 2 273.377 -0.471 20 0 CBADLP C[N@H+]1CCN(C(=O)[C@@H]2CCc3ncncc3C2)[C@H](C[NH3+])C1 ZINC000647874198 419681182 /nfs/dbraw/zinc/68/11/82/419681182.db2.gz GUZYHLPWXAANBD-DGCLKSJQSA-N 2 2 289.383 -0.317 20 0 CBADLP CS(=O)(=O)N[C@@H]1CCC[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647877263 419685135 /nfs/dbraw/zinc/68/51/35/419685135.db2.gz MNFIOHPTXCAINV-WDEREUQCSA-N 2 2 261.391 -0.391 20 0 CBADLP CS(=O)(=O)N[C@@H]1CCC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647877263 419685138 /nfs/dbraw/zinc/68/51/38/419685138.db2.gz MNFIOHPTXCAINV-WDEREUQCSA-N 2 2 261.391 -0.391 20 0 CBADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647909268 419686830 /nfs/dbraw/zinc/68/68/30/419686830.db2.gz MSEAHOREGKXGQQ-CHWSQXEVSA-N 3 2 266.389 -0.508 20 0 CBADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647909268 419686837 /nfs/dbraw/zinc/68/68/37/419686837.db2.gz MSEAHOREGKXGQQ-CHWSQXEVSA-N 3 2 266.389 -0.508 20 0 CBADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647909269 419688185 /nfs/dbraw/zinc/68/81/85/419688185.db2.gz MSEAHOREGKXGQQ-OLZOCXBDSA-N 3 2 266.389 -0.508 20 0 CBADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647909269 419688190 /nfs/dbraw/zinc/68/81/90/419688190.db2.gz MSEAHOREGKXGQQ-OLZOCXBDSA-N 3 2 266.389 -0.508 20 0 CBADLP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[NH+]1CCC(C)([NH3+])CC1 ZINC000647925409 419691775 /nfs/dbraw/zinc/69/17/75/419691775.db2.gz HPTHIULGQJWCAP-VXGBXAGGSA-N 2 2 296.415 -0.088 20 0 CBADLP O=C([C@H]1C[NH2+]CCO1)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000662704028 419693355 /nfs/dbraw/zinc/69/33/55/419693355.db2.gz RYBNUHJXNGOUML-CQSZACIVSA-N 2 2 297.399 -0.454 20 0 CBADLP O=C([C@@H]1C[NH2+]CCO1)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000662704027 419693529 /nfs/dbraw/zinc/69/35/29/419693529.db2.gz RYBNUHJXNGOUML-AWEZNQCLSA-N 2 2 297.399 -0.454 20 0 CBADLP CNC(=O)[C@H]1CCC[N@@H+]1C[C@H](O)C[NH+](C)CCOC ZINC000647960826 419696009 /nfs/dbraw/zinc/69/60/09/419696009.db2.gz MHECBDNOTPLZCF-VXGBXAGGSA-N 2 2 273.377 -0.864 20 0 CBADLP CNC(=O)[C@H]1CCC[N@H+]1C[C@H](O)C[NH+](C)CCOC ZINC000647960826 419696017 /nfs/dbraw/zinc/69/60/17/419696017.db2.gz MHECBDNOTPLZCF-VXGBXAGGSA-N 2 2 273.377 -0.864 20 0 CBADLP CNC(=O)[C@H]1CCC[NH+]1C[C@H](O)C[N@H+](C)CCOC ZINC000647960826 419696030 /nfs/dbraw/zinc/69/60/30/419696030.db2.gz MHECBDNOTPLZCF-VXGBXAGGSA-N 2 2 273.377 -0.864 20 0 CBADLP CNC(=O)[C@H]1CCC[NH+]1C[C@H](O)C[N@@H+](C)CCOC ZINC000647960826 419696037 /nfs/dbraw/zinc/69/60/37/419696037.db2.gz MHECBDNOTPLZCF-VXGBXAGGSA-N 2 2 273.377 -0.864 20 0 CBADLP CC(C)OC[C@H]([NH3+])C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000662717823 419697132 /nfs/dbraw/zinc/69/71/32/419697132.db2.gz RIOLLABXRCFTJY-BFHYXJOUSA-N 2 2 299.415 -0.204 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000662714596 419697451 /nfs/dbraw/zinc/69/74/51/419697451.db2.gz JJNDSYBRBRRJDF-IJLUTSLNSA-N 2 2 271.361 -0.813 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000662714596 419697455 /nfs/dbraw/zinc/69/74/55/419697455.db2.gz JJNDSYBRBRRJDF-IJLUTSLNSA-N 2 2 271.361 -0.813 20 0 CBADLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000662715502 419698969 /nfs/dbraw/zinc/69/89/69/419698969.db2.gz UDYLCNMNMCSOAN-NEPJUHHUSA-N 2 2 285.388 -0.423 20 0 CBADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000662715502 419698977 /nfs/dbraw/zinc/69/89/77/419698977.db2.gz UDYLCNMNMCSOAN-NEPJUHHUSA-N 2 2 285.388 -0.423 20 0 CBADLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662715969 419699412 /nfs/dbraw/zinc/69/94/12/419699412.db2.gz XJZBPLOUFFKGHP-XYPYZODXSA-N 2 2 255.362 -0.049 20 0 CBADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662715969 419699422 /nfs/dbraw/zinc/69/94/22/419699422.db2.gz XJZBPLOUFFKGHP-XYPYZODXSA-N 2 2 255.362 -0.049 20 0 CBADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)CC(C)(CO)CO ZINC000647966799 419700783 /nfs/dbraw/zinc/70/07/83/419700783.db2.gz INUPFLXRJQELED-LBPRGKRZSA-N 2 2 262.394 -0.390 20 0 CBADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)CC(C)(CO)CO ZINC000647966799 419700792 /nfs/dbraw/zinc/70/07/92/419700792.db2.gz INUPFLXRJQELED-LBPRGKRZSA-N 2 2 262.394 -0.390 20 0 CBADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)CC(C)(CO)CO ZINC000647966799 419700798 /nfs/dbraw/zinc/70/07/98/419700798.db2.gz INUPFLXRJQELED-LBPRGKRZSA-N 2 2 262.394 -0.390 20 0 CBADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)CC(C)(CO)CO ZINC000647966799 419700807 /nfs/dbraw/zinc/70/08/07/419700807.db2.gz INUPFLXRJQELED-LBPRGKRZSA-N 2 2 262.394 -0.390 20 0 CBADLP C[C@@H](NC(=O)[C@H]1C[C@H]([NH3+])C1)[C@H](C)[NH+]1CCOCC1 ZINC000662721300 419702396 /nfs/dbraw/zinc/70/23/96/419702396.db2.gz TUILYMIJDZVVAY-WRWGMCAJSA-N 2 2 255.362 -0.051 20 0 CBADLP COCc1noc(CN2CC[NH+](C[C@H]3CC[NH2+]C3)CC2)n1 ZINC000647989540 419702831 /nfs/dbraw/zinc/70/28/31/419702831.db2.gz BCCDFNZCFMECKA-LBPRGKRZSA-N 2 2 295.387 -0.057 20 0 CBADLP C[NH+]1CCN(C(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)CC1 ZINC000662762815 419710598 /nfs/dbraw/zinc/71/05/98/419710598.db2.gz DMLDDDCMAKJPAS-GFCCVEGCSA-N 2 2 292.387 -0.020 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1C[C@H]([NH3+])C1)[NH+]1CCN(C)CC1 ZINC000662755124 419711769 /nfs/dbraw/zinc/71/17/69/419711769.db2.gz DBRJGTZKWRALLR-SRVKXCTJSA-N 2 2 254.378 -0.524 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+](CCCO)C2CC2)CC1 ZINC000404207717 544586822 /nfs/dbraw/zinc/58/68/22/544586822.db2.gz CYTCGJLLSRZSGU-UHFFFAOYSA-N 2 2 255.362 -0.393 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+](CCCO)C2CC2)CC1 ZINC000404207717 544586824 /nfs/dbraw/zinc/58/68/24/544586824.db2.gz CYTCGJLLSRZSGU-UHFFFAOYSA-N 2 2 255.362 -0.393 20 0 CBADLP [NH3+]CC(=O)NCC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000662624690 419655281 /nfs/dbraw/zinc/65/52/81/419655281.db2.gz WEOBISRPBXWKHH-UHFFFAOYSA-N 2 2 291.355 -0.627 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C1([NH3+])CCC1 ZINC000662632074 419656976 /nfs/dbraw/zinc/65/69/76/419656976.db2.gz LSRMRAVSESZSMN-UHFFFAOYSA-N 3 2 256.394 -0.133 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C1([NH3+])CCC1 ZINC000662632074 419656984 /nfs/dbraw/zinc/65/69/84/419656984.db2.gz LSRMRAVSESZSMN-UHFFFAOYSA-N 3 2 256.394 -0.133 20 0 CBADLP C[NH2+]C[C@H](C)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000662633242 419657226 /nfs/dbraw/zinc/65/72/26/419657226.db2.gz JMIMUUVEMGCEPE-LBPRGKRZSA-N 3 2 258.410 -0.158 20 0 CBADLP C[NH2+]C[C@H](C)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000662633242 419657232 /nfs/dbraw/zinc/65/72/32/419657232.db2.gz JMIMUUVEMGCEPE-LBPRGKRZSA-N 3 2 258.410 -0.158 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)C2(C)C[NH2+]C2)[C@@H](C)CO1 ZINC000662634956 419657776 /nfs/dbraw/zinc/65/77/76/419657776.db2.gz SWXCJRZNCOVSIK-QWRGUYRKSA-N 2 2 255.362 -0.179 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)C2(C)C[NH2+]C2)[C@@H](C)CO1 ZINC000662634956 419657791 /nfs/dbraw/zinc/65/77/91/419657791.db2.gz SWXCJRZNCOVSIK-QWRGUYRKSA-N 2 2 255.362 -0.179 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000647793276 419658899 /nfs/dbraw/zinc/65/88/99/419658899.db2.gz RNWVBEVIXZJZLR-MGPQQGTHSA-N 3 2 280.416 -0.262 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)C[NH2+]C[C@H]2CCCO2)[C@@H](C)CO1 ZINC000662632216 419660017 /nfs/dbraw/zinc/66/00/17/419660017.db2.gz YSOBTCBHZKNFNW-BFHYXJOUSA-N 2 2 299.415 -0.020 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)C[NH2+]C[C@H]2CCCO2)[C@@H](C)CO1 ZINC000662632216 419660025 /nfs/dbraw/zinc/66/00/25/419660025.db2.gz YSOBTCBHZKNFNW-BFHYXJOUSA-N 2 2 299.415 -0.020 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]([NH3+])CC(F)F ZINC000662632859 419660449 /nfs/dbraw/zinc/66/04/49/419660449.db2.gz VAXSQQZZIIJCIO-SNVBAGLBSA-N 3 2 280.363 -0.031 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]([NH3+])CC(F)F ZINC000662632859 419660453 /nfs/dbraw/zinc/66/04/53/419660453.db2.gz VAXSQQZZIIJCIO-SNVBAGLBSA-N 3 2 280.363 -0.031 20 0 CBADLP C[C@@H](C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)[NH+]1CCN(C)CC1 ZINC000662944931 419786436 /nfs/dbraw/zinc/78/64/36/419786436.db2.gz BSKBOCVEGPQMRS-QJPTWQEYSA-N 2 2 272.368 -0.480 20 0 CBADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000662858698 419751590 /nfs/dbraw/zinc/75/15/90/419751590.db2.gz HMQCJTHJFFCIRA-FHUSYTEZSA-N 2 2 267.373 -0.323 20 0 CBADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000662858698 419751596 /nfs/dbraw/zinc/75/15/96/419751596.db2.gz HMQCJTHJFFCIRA-FHUSYTEZSA-N 2 2 267.373 -0.323 20 0 CBADLP CO[C@H]1C[NH2+][C@@H](C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)C1 ZINC000662857927 419752119 /nfs/dbraw/zinc/75/21/19/419752119.db2.gz CZBOYENYWRXEHM-FDYHWXHSSA-N 2 2 285.388 -0.411 20 0 CBADLP CO[C@H]1C[NH2+][C@@H](C(=O)NCC[N@H+]2C[C@@H](C)OC[C@H]2C)C1 ZINC000662857927 419752127 /nfs/dbraw/zinc/75/21/27/419752127.db2.gz CZBOYENYWRXEHM-FDYHWXHSSA-N 2 2 285.388 -0.411 20 0 CBADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000662858763 419752938 /nfs/dbraw/zinc/75/29/38/419752938.db2.gz IAFXNDRPEZOKDF-MLGHIDQZSA-N 2 2 267.373 -0.038 20 0 CBADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000662858763 419752945 /nfs/dbraw/zinc/75/29/45/419752945.db2.gz IAFXNDRPEZOKDF-MLGHIDQZSA-N 2 2 267.373 -0.038 20 0 CBADLP O=C([C@@H]1C[C@H]2C[C@H]2[NH2+]1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000662870249 419756111 /nfs/dbraw/zinc/75/61/11/419756111.db2.gz ARFUWOUJUCCWSL-LPWJVIDDSA-N 2 2 265.357 -0.330 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)[C@H]2C[C@@H]([NH3+])C2)[C@@H](C)CO1 ZINC000662860690 419756228 /nfs/dbraw/zinc/75/62/28/419756228.db2.gz UFZCYJYYTLRNBL-FIQHERPVSA-N 2 2 255.362 -0.051 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)[C@H]2C[C@@H]([NH3+])C2)[C@@H](C)CO1 ZINC000662860690 419756234 /nfs/dbraw/zinc/75/62/34/419756234.db2.gz UFZCYJYYTLRNBL-FIQHERPVSA-N 2 2 255.362 -0.051 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]2COCC[NH2+]2)[C@H](C)CO1 ZINC000662861308 419756499 /nfs/dbraw/zinc/75/64/99/419756499.db2.gz ZXNDQTZAFCLRIA-IJLUTSLNSA-N 2 2 271.361 -0.800 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2COCC[NH2+]2)[C@H](C)CO1 ZINC000662861308 419756507 /nfs/dbraw/zinc/75/65/07/419756507.db2.gz ZXNDQTZAFCLRIA-IJLUTSLNSA-N 2 2 271.361 -0.800 20 0 CBADLP O=C([C@@H]1CSC[NH2+]1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000662871355 419756562 /nfs/dbraw/zinc/75/65/62/419756562.db2.gz YQWIRSNQUDKWNG-MNOVXSKESA-N 2 2 271.386 -0.418 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]2COCC[NH2+]2)[C@@H](C)CO1 ZINC000662861309 419756650 /nfs/dbraw/zinc/75/66/50/419756650.db2.gz ZXNDQTZAFCLRIA-QJPTWQEYSA-N 2 2 271.361 -0.800 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2COCC[NH2+]2)[C@@H](C)CO1 ZINC000662861309 419756657 /nfs/dbraw/zinc/75/66/57/419756657.db2.gz ZXNDQTZAFCLRIA-QJPTWQEYSA-N 2 2 271.361 -0.800 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]2C[C@H]([NH3+])C2)[C@H](C)CO1 ZINC000662860689 419757245 /nfs/dbraw/zinc/75/72/45/419757245.db2.gz UFZCYJYYTLRNBL-DDHJBXDOSA-N 2 2 255.362 -0.051 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2C[C@H]([NH3+])C2)[C@H](C)CO1 ZINC000662860689 419757248 /nfs/dbraw/zinc/75/72/48/419757248.db2.gz UFZCYJYYTLRNBL-DDHJBXDOSA-N 2 2 255.362 -0.051 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000648205900 419775347 /nfs/dbraw/zinc/77/53/47/419775347.db2.gz OITPYKJDTAKSFV-NSHDSACASA-N 2 2 280.372 -0.791 20 0 CBADLP [NH3+]C1(C(=O)N2CC[NH+](CCO)CC2)CC2(CCC2)C1 ZINC000662779426 419719442 /nfs/dbraw/zinc/71/94/42/419719442.db2.gz LUQBIXHAACRZPO-UHFFFAOYSA-N 2 2 267.373 -0.216 20 0 CBADLP CN(Cc1c[nH+]c[nH]1)C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000662973388 419800318 /nfs/dbraw/zinc/80/03/18/419800318.db2.gz WVXDSGMXONKJHC-PWSUYJOCSA-N 2 2 291.355 -0.422 20 0 CBADLP CN(Cc1c[nH]c[nH+]1)C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000662973388 419800322 /nfs/dbraw/zinc/80/03/22/419800322.db2.gz WVXDSGMXONKJHC-PWSUYJOCSA-N 2 2 291.355 -0.422 20 0 CBADLP [NH3+][C@@H]1CN(C(=O)C(=O)N2CCn3c[nH+]cc3C2)CC[C@H]1F ZINC000662989872 419806933 /nfs/dbraw/zinc/80/69/33/419806933.db2.gz NMDMPCLDDJRQOP-GHMZBOCLSA-N 2 2 295.318 -0.877 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000663013010 419809791 /nfs/dbraw/zinc/80/97/91/419809791.db2.gz HCRCMURJTVKSLM-CYBMUJFWSA-N 2 2 270.377 -0.689 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000663013010 419809797 /nfs/dbraw/zinc/80/97/97/419809797.db2.gz HCRCMURJTVKSLM-CYBMUJFWSA-N 2 2 270.377 -0.689 20 0 CBADLP C[C@@H]1[C@H](C(=O)N(CCO)CC[NH+]2CCOCC2)CC[N@@H+]1C ZINC000648834123 419810449 /nfs/dbraw/zinc/81/04/49/419810449.db2.gz REPZCGQKQBSHSL-ZIAGYGMSSA-N 2 2 299.415 -0.520 20 0 CBADLP C[C@@H]1[C@H](C(=O)N(CCO)CC[NH+]2CCOCC2)CC[N@H+]1C ZINC000648834123 419810456 /nfs/dbraw/zinc/81/04/56/419810456.db2.gz REPZCGQKQBSHSL-ZIAGYGMSSA-N 2 2 299.415 -0.520 20 0 CBADLP COc1c(N)[nH+]cnc1N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000663238401 419829292 /nfs/dbraw/zinc/82/92/92/419829292.db2.gz ANISNRYUXVXBNI-JTQLQIEISA-N 2 2 278.360 -0.449 20 0 CBADLP CCC[N@H+](C[C@@H](O)C[NH+](C)C1CC1)[C@H]1CC(=O)N(C)C1=O ZINC000352102011 419829609 /nfs/dbraw/zinc/82/96/09/419829609.db2.gz LSHDSWVMVMZRSX-STQMWFEESA-N 2 2 297.399 -0.089 20 0 CBADLP CCC[N@@H+](C[C@@H](O)C[NH+](C)C1CC1)[C@H]1CC(=O)N(C)C1=O ZINC000352102011 419829613 /nfs/dbraw/zinc/82/96/13/419829613.db2.gz LSHDSWVMVMZRSX-STQMWFEESA-N 2 2 297.399 -0.089 20 0 CBADLP CCC[NH+](C[C@@H](O)C[N@H+](C)C1CC1)[C@H]1CC(=O)N(C)C1=O ZINC000352102011 419829617 /nfs/dbraw/zinc/82/96/17/419829617.db2.gz LSHDSWVMVMZRSX-STQMWFEESA-N 2 2 297.399 -0.089 20 0 CBADLP CCC[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)[C@H]1CC(=O)N(C)C1=O ZINC000352102011 419829623 /nfs/dbraw/zinc/82/96/23/419829623.db2.gz LSHDSWVMVMZRSX-STQMWFEESA-N 2 2 297.399 -0.089 20 0 CBADLP [NH3+][C@@H]1CN(C(=O)NCC[NH+]2CCOCC2)CC[C@H]1F ZINC000663221482 419830623 /nfs/dbraw/zinc/83/06/23/419830623.db2.gz OIWZJHDUGGPFMZ-GHMZBOCLSA-N 2 2 274.340 -0.601 20 0 CBADLP CCS(=O)(=O)C1(C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000663363595 419834225 /nfs/dbraw/zinc/83/42/25/419834225.db2.gz FIRAGYNTLQYZMR-LBPRGKRZSA-N 2 2 290.429 -0.002 20 0 CBADLP CCS(=O)(=O)C1(C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000663363595 419834229 /nfs/dbraw/zinc/83/42/29/419834229.db2.gz FIRAGYNTLQYZMR-LBPRGKRZSA-N 2 2 290.429 -0.002 20 0 CBADLP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)CCc1c[nH+]c[nH]1 ZINC000649071794 419835685 /nfs/dbraw/zinc/83/56/85/419835685.db2.gz SAYXBHKLJOPJGL-LLVKDONJSA-N 2 2 293.371 -0.079 20 0 CBADLP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)CCc1c[nH]c[nH+]1 ZINC000649071794 419835691 /nfs/dbraw/zinc/83/56/91/419835691.db2.gz SAYXBHKLJOPJGL-LLVKDONJSA-N 2 2 293.371 -0.079 20 0 CBADLP COc1cc[nH+]cc1NC(=O)C(=O)N[C@]1(C)CC[NH2+]C1 ZINC000663614732 419848848 /nfs/dbraw/zinc/84/88/48/419848848.db2.gz ZMRIGEVPJJHMRH-CYBMUJFWSA-N 2 2 278.312 -0.103 20 0 CBADLP CN(CCC[NH3+])C(=O)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000662941243 419788200 /nfs/dbraw/zinc/78/82/00/419788200.db2.gz UFIHOCKXPNIPBM-UHFFFAOYSA-N 2 2 281.360 -0.461 20 0 CBADLP CCCN(C(=O)C(=O)N(C)Cc1c[nH+]c[nH]1)[C@@H]1CC[NH2+]C1 ZINC000662949416 419791310 /nfs/dbraw/zinc/79/13/10/419791310.db2.gz VCUYSTXIQBBPGA-GFCCVEGCSA-N 2 2 293.371 -0.031 20 0 CBADLP CCCN(C(=O)C(=O)N(C)Cc1c[nH]c[nH+]1)[C@@H]1CC[NH2+]C1 ZINC000662949416 419791316 /nfs/dbraw/zinc/79/13/16/419791316.db2.gz VCUYSTXIQBBPGA-GFCCVEGCSA-N 2 2 293.371 -0.031 20 0 CBADLP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000662954483 419792606 /nfs/dbraw/zinc/79/26/06/419792606.db2.gz MGYZZBWSJZOCRU-VHSXEESVSA-N 2 2 279.344 -0.423 20 0 CBADLP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000662954483 419792615 /nfs/dbraw/zinc/79/26/15/419792615.db2.gz MGYZZBWSJZOCRU-VHSXEESVSA-N 2 2 279.344 -0.423 20 0 CBADLP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCOCC2)CC[N@@H+]1C ZINC000648713529 419793845 /nfs/dbraw/zinc/79/38/45/419793845.db2.gz JXYOIRYDFYYCGI-VXGBXAGGSA-N 2 2 255.362 -0.225 20 0 CBADLP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCOCC2)CC[N@H+]1C ZINC000648713529 419793848 /nfs/dbraw/zinc/79/38/48/419793848.db2.gz JXYOIRYDFYYCGI-VXGBXAGGSA-N 2 2 255.362 -0.225 20 0 CBADLP C[C@@H]1CCN(C(=O)C(=O)N(C)Cc2c[nH+]c[nH]2)C[C@@H]1C[NH3+] ZINC000662961048 419794838 /nfs/dbraw/zinc/79/48/38/419794838.db2.gz RLRKXBNDDAYVSE-MNOVXSKESA-N 2 2 293.371 -0.189 20 0 CBADLP C[C@@H]1CCN(C(=O)C(=O)N(C)Cc2c[nH]c[nH+]2)C[C@@H]1C[NH3+] ZINC000662961048 419794843 /nfs/dbraw/zinc/79/48/43/419794843.db2.gz RLRKXBNDDAYVSE-MNOVXSKESA-N 2 2 293.371 -0.189 20 0 CBADLP C[NH+](C)C[C@H](CO)Nc1cc(-n2cc[nH+]c2)ncn1 ZINC000663910659 419869845 /nfs/dbraw/zinc/86/98/45/419869845.db2.gz LOPALNQAUHPICB-SNVBAGLBSA-N 2 2 262.317 -0.003 20 0 CBADLP C[C@H](NC(=O)CN1CC[NH2+]CC1=O)C1CC[NH+](C)CC1 ZINC000649314280 419877208 /nfs/dbraw/zinc/87/72/08/419877208.db2.gz XSLYFMSPRHQLFE-NSHDSACASA-N 2 2 282.388 -0.735 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@H]3C[C@H](O)C3)C2)CC1 ZINC000664128822 419881196 /nfs/dbraw/zinc/88/11/96/419881196.db2.gz BFSCKFJKJQIRPF-YRGRVCCFSA-N 2 2 296.415 -0.023 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N[C@H]3C[C@H](O)C3)C2)CC1 ZINC000664128822 419881204 /nfs/dbraw/zinc/88/12/04/419881204.db2.gz BFSCKFJKJQIRPF-YRGRVCCFSA-N 2 2 296.415 -0.023 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649320686 419882176 /nfs/dbraw/zinc/88/21/76/419882176.db2.gz WPRSBSGVFHGWEK-QCNOEVLYSA-N 2 2 253.346 -0.426 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649320686 419882183 /nfs/dbraw/zinc/88/21/83/419882183.db2.gz WPRSBSGVFHGWEK-QCNOEVLYSA-N 2 2 253.346 -0.426 20 0 CBADLP COC[C@@]1(C(=O)NCc2[nH+]ccn2C)CCC[NH2+]1 ZINC000649321853 419882660 /nfs/dbraw/zinc/88/26/60/419882660.db2.gz QBIFHRMARZBVPB-GFCCVEGCSA-N 2 2 252.318 -0.195 20 0 CBADLP O=C([C@H]1CSC[NH2+]1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000649321350 419883865 /nfs/dbraw/zinc/88/38/65/419883865.db2.gz VAMACHVMIQIOTK-GRYCIOLGSA-N 2 2 285.413 -0.294 20 0 CBADLP Cc1nc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)n(C)n1 ZINC000664331015 419897902 /nfs/dbraw/zinc/89/79/02/419897902.db2.gz NAXHQEIWDNWNDD-UHFFFAOYSA-N 2 2 282.392 -0.263 20 0 CBADLP Cc1nc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)n(C)n1 ZINC000664331015 419897910 /nfs/dbraw/zinc/89/79/10/419897910.db2.gz NAXHQEIWDNWNDD-UHFFFAOYSA-N 2 2 282.392 -0.263 20 0 CBADLP CC(C)c1nc(NC[C@]2(O)CC[N@H+](C)C2)nc(N(C)C)[nH+]1 ZINC000358364386 419895466 /nfs/dbraw/zinc/89/54/66/419895466.db2.gz YSVHJFAEYKKQMP-CQSZACIVSA-N 2 2 294.403 0.540 20 0 CBADLP CC(C)c1nc(NC[C@]2(O)CC[N@@H+](C)C2)nc(N(C)C)[nH+]1 ZINC000358364386 419895470 /nfs/dbraw/zinc/89/54/70/419895470.db2.gz YSVHJFAEYKKQMP-CQSZACIVSA-N 2 2 294.403 0.540 20 0 CBADLP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCc1[nH+]ccn1C ZINC000355265445 419863841 /nfs/dbraw/zinc/86/38/41/419863841.db2.gz AOYDKFCMLNZCAO-SNVBAGLBSA-N 2 2 281.360 -0.507 20 0 CBADLP CN(Cc1c[nH+]c2n1CCC2)C[C@H](O)C[NH+]1CCOCC1 ZINC000667659613 544668386 /nfs/dbraw/zinc/66/83/86/544668386.db2.gz MWHBLRSPMXUUTO-AWEZNQCLSA-N 2 2 294.399 -0.046 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)C2([NH+](C)C)CC2)CCO1 ZINC000667816086 544674642 /nfs/dbraw/zinc/67/46/42/544674642.db2.gz JQVCZNRWOFNHII-LLVKDONJSA-N 2 2 255.362 -0.083 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)C2([NH+](C)C)CC2)CCO1 ZINC000667816086 544674646 /nfs/dbraw/zinc/67/46/46/544674646.db2.gz JQVCZNRWOFNHII-LLVKDONJSA-N 2 2 255.362 -0.083 20 0 CBADLP C[C@@H](C(=O)N1C[C@H](C)[N@@H+](CCO)C[C@H]1C)[NH+](C)C ZINC000668041770 544682955 /nfs/dbraw/zinc/68/29/55/544682955.db2.gz WLMLKSDHZMAMKA-TUAOUCFPSA-N 2 2 257.378 -0.150 20 0 CBADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000649411290 419909193 /nfs/dbraw/zinc/90/91/93/419909193.db2.gz DLPFZIXWYNVPFR-STQMWFEESA-N 2 2 280.416 -0.119 20 0 CBADLP C[C@@H](C(=O)NC1CC1)N1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000649411290 419909198 /nfs/dbraw/zinc/90/91/98/419909198.db2.gz DLPFZIXWYNVPFR-STQMWFEESA-N 2 2 280.416 -0.119 20 0 CBADLP CC(C)[C@H]1CN(C(=O)NCC[NH+]2CCOCC2)CC[NH2+]1 ZINC000668165513 544686395 /nfs/dbraw/zinc/68/63/95/544686395.db2.gz AIDYEGCUVWIHOZ-CYBMUJFWSA-N 2 2 284.404 -0.042 20 0 CBADLP C[C@@H](O)C[NH+]1CCN(C(=O)C2([NH+](C)C)CC2)CC1 ZINC000668360232 544696274 /nfs/dbraw/zinc/69/62/74/544696274.db2.gz WMEWTOQHZWXSLZ-LLVKDONJSA-N 2 2 255.362 -0.394 20 0 CBADLP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCn2cc[nH+]c2)C1 ZINC000668376528 544697001 /nfs/dbraw/zinc/69/70/01/544697001.db2.gz HRQVCLCXUAGSLD-GFCCVEGCSA-N 2 2 293.371 -0.400 20 0 CBADLP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCCn2cc[nH+]c2)C1 ZINC000668376528 544697004 /nfs/dbraw/zinc/69/70/04/544697004.db2.gz HRQVCLCXUAGSLD-GFCCVEGCSA-N 2 2 293.371 -0.400 20 0 CBADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)C2([NH+](C)C)CC2)CC1 ZINC000668529199 544707446 /nfs/dbraw/zinc/70/74/46/544707446.db2.gz AEDAIXCBHDQEDF-UHFFFAOYSA-N 2 2 296.415 -0.251 20 0 CBADLP C[NH+](C)[C@H]1CN(C(=O)N[C@H]2CCn3cc[nH+]c3C2)C[C@@H]1O ZINC000664714130 419914731 /nfs/dbraw/zinc/91/47/31/419914731.db2.gz PYWUNATWUVUFLA-SRVKXCTJSA-N 2 2 293.371 -0.486 20 0 CBADLP CN(C(=O)[C@H]1CC(=O)N1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000668616643 544711174 /nfs/dbraw/zinc/71/11/74/544711174.db2.gz FZYJAZIORFMZGO-QWHCGFSZSA-N 2 2 294.399 -0.498 20 0 CBADLP CN(C(=O)[C@H]1CC(=O)N1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000668616643 544711177 /nfs/dbraw/zinc/71/11/77/544711177.db2.gz FZYJAZIORFMZGO-QWHCGFSZSA-N 2 2 294.399 -0.498 20 0 CBADLP C[NH+]1CCN(C(=O)N[C@@H]2CCC[N@@H+](C)C2)[C@H](C[NH3+])C1 ZINC000669403091 544749112 /nfs/dbraw/zinc/74/91/12/544749112.db2.gz ISZQIRQDZQPWEF-VXGBXAGGSA-N 3 2 269.393 -0.635 20 0 CBADLP C[NH+]1CCN(C(=O)N[C@@H]2CCC[N@H+](C)C2)[C@H](C[NH3+])C1 ZINC000669403091 544749114 /nfs/dbraw/zinc/74/91/14/544749114.db2.gz ISZQIRQDZQPWEF-VXGBXAGGSA-N 3 2 269.393 -0.635 20 0 CBADLP C[NH+]1CCC[C@@H](NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])C1 ZINC000669403091 544749116 /nfs/dbraw/zinc/74/91/16/544749116.db2.gz ISZQIRQDZQPWEF-VXGBXAGGSA-N 3 2 269.393 -0.635 20 0 CBADLP C[NH+]1CCC[C@@H](NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])C1 ZINC000669403091 544749117 /nfs/dbraw/zinc/74/91/17/544749117.db2.gz ISZQIRQDZQPWEF-VXGBXAGGSA-N 3 2 269.393 -0.635 20 0 CBADLP C[N@@H+]1CCN(C(=O)C[C@@H]2CCCC[C@H]2[NH3+])[C@@H](C[NH3+])C1 ZINC000669512653 544750891 /nfs/dbraw/zinc/75/08/91/544750891.db2.gz WQGKARFDVLZHFQ-RWMBFGLXSA-N 3 2 268.405 -0.005 20 0 CBADLP C[N@H+]1CCN(C(=O)C[C@@H]2CCCC[C@H]2[NH3+])[C@@H](C[NH3+])C1 ZINC000669512653 544750896 /nfs/dbraw/zinc/75/08/96/544750896.db2.gz WQGKARFDVLZHFQ-RWMBFGLXSA-N 3 2 268.405 -0.005 20 0 CBADLP C[N@@H+]1CCN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)[C@@H](C[NH3+])C1 ZINC000669512559 544751119 /nfs/dbraw/zinc/75/11/19/544751119.db2.gz AFKIIJIWRHTUBC-UTUOFQBUSA-N 3 2 254.378 -0.395 20 0 CBADLP C[N@H+]1CCN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)[C@@H](C[NH3+])C1 ZINC000669512559 544751124 /nfs/dbraw/zinc/75/11/24/544751124.db2.gz AFKIIJIWRHTUBC-UTUOFQBUSA-N 3 2 254.378 -0.395 20 0 CBADLP C[C@H](NC(=O)N1CC[NH2+][C@H](C)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000669538175 544752324 /nfs/dbraw/zinc/75/23/24/544752324.db2.gz BXUYVXJAQPYWAI-WOPDTQHZSA-N 2 2 270.377 -0.291 20 0 CBADLP C[C@H](NC(=O)N1CC[NH2+][C@H](C)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000669538175 544752326 /nfs/dbraw/zinc/75/23/26/544752326.db2.gz BXUYVXJAQPYWAI-WOPDTQHZSA-N 2 2 270.377 -0.291 20 0 CBADLP CCNC(=O)CC[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649687910 419924573 /nfs/dbraw/zinc/92/45/73/419924573.db2.gz KMOGTXAEQVOQMO-UHFFFAOYSA-N 2 2 270.377 -0.782 20 0 CBADLP C[C@@H](NC(=O)NCC(F)(F)C[NH3+])[C@@H]1C[N@H+](C)CCO1 ZINC000669538513 544754098 /nfs/dbraw/zinc/75/40/98/544754098.db2.gz VCVVWMFXEPTEMM-BDAKNGLRSA-N 2 2 280.319 -0.401 20 0 CBADLP C[C@@H](NC(=O)NCC(F)(F)C[NH3+])[C@@H]1C[N@@H+](C)CCO1 ZINC000669538513 544754103 /nfs/dbraw/zinc/75/41/03/544754103.db2.gz VCVVWMFXEPTEMM-BDAKNGLRSA-N 2 2 280.319 -0.401 20 0 CBADLP O=C(NCC[NH2+]C1CC1)NCC1([NH+]2CCOCC2)CC1 ZINC000669571070 544754813 /nfs/dbraw/zinc/75/48/13/544754813.db2.gz DNNWNWAXFWXLOR-UHFFFAOYSA-N 2 2 282.388 -0.098 20 0 CBADLP CCNC(=O)CC[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649687910 419924578 /nfs/dbraw/zinc/92/45/78/419924578.db2.gz KMOGTXAEQVOQMO-UHFFFAOYSA-N 2 2 270.377 -0.782 20 0 CBADLP CN(C)C(=O)CC[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649685394 419924246 /nfs/dbraw/zinc/92/42/46/419924246.db2.gz ZVODTRDCMCTXDN-UHFFFAOYSA-N 2 2 270.377 -0.830 20 0 CBADLP CN(C)C(=O)CC[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649685394 419924253 /nfs/dbraw/zinc/92/42/53/419924253.db2.gz ZVODTRDCMCTXDN-UHFFFAOYSA-N 2 2 270.377 -0.830 20 0 CBADLP O=C(C[NH+]1CCCC1)N1CC[NH+](C[C@@H]2CCC(=O)N2)CC1 ZINC000649508943 419917665 /nfs/dbraw/zinc/91/76/65/419917665.db2.gz JYAKXINNJRKUCL-ZDUSSCGKSA-N 2 2 294.399 -0.495 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@@H]2CCC(=O)N2)CC1 ZINC000649552304 419919114 /nfs/dbraw/zinc/91/91/14/419919114.db2.gz DPUCDPQXHWAVLA-QWHCGFSZSA-N 2 2 294.399 -0.497 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@@H]2CCC(=O)N2)CC1 ZINC000649552304 419919119 /nfs/dbraw/zinc/91/91/19/419919119.db2.gz DPUCDPQXHWAVLA-QWHCGFSZSA-N 2 2 294.399 -0.497 20 0 CBADLP C[N@@H+]1CCC[C@@H]1CN1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000649548999 419920142 /nfs/dbraw/zinc/92/01/42/419920142.db2.gz OUGNGYUWUQPTFZ-GFCCVEGCSA-N 2 2 268.405 -0.038 20 0 CBADLP C[N@H+]1CCC[C@@H]1CN1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000649548999 419920147 /nfs/dbraw/zinc/92/01/47/419920147.db2.gz OUGNGYUWUQPTFZ-GFCCVEGCSA-N 2 2 268.405 -0.038 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000358848463 419924650 /nfs/dbraw/zinc/92/46/50/419924650.db2.gz AZXJWFAVZWNSOQ-JSGCOSHPSA-N 2 2 296.415 -0.345 20 0 CBADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[NH+](C)CC1 ZINC000358980119 419935212 /nfs/dbraw/zinc/93/52/12/419935212.db2.gz QQCCHGVDDJORAB-ZDUSSCGKSA-N 2 2 283.420 -0.421 20 0 CBADLP [NH3+]Cc1cc(=O)[nH]c(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])n1 ZINC000665295019 419937115 /nfs/dbraw/zinc/93/71/15/419937115.db2.gz ZRNZEDWNKYYWBZ-SCZZXKLOSA-N 3 2 251.334 -0.142 20 0 CBADLP C[C@@H]1CN(C)C[C@@H]1[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665292095 419937631 /nfs/dbraw/zinc/93/76/31/419937631.db2.gz SGSIAIJWVHLORH-SCZZXKLOSA-N 2 2 251.334 -0.319 20 0 CBADLP CO[C@H]1CC[N@H+](CCC(=O)N2CCOCC2)[C@H](C[NH3+])C1 ZINC000359038658 419937791 /nfs/dbraw/zinc/93/77/91/419937791.db2.gz GBXITEHVDBFTAW-STQMWFEESA-N 2 2 285.388 -0.327 20 0 CBADLP CO[C@H]1CC[N@@H+](CCC(=O)N2CCOCC2)[C@H](C[NH3+])C1 ZINC000359038658 419937798 /nfs/dbraw/zinc/93/77/98/419937798.db2.gz GBXITEHVDBFTAW-STQMWFEESA-N 2 2 285.388 -0.327 20 0 CBADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCC[N@H+](C)CC1 ZINC000359012880 419938832 /nfs/dbraw/zinc/93/88/32/419938832.db2.gz PEQHBEWJLBTSFK-AWEZNQCLSA-N 2 2 297.447 -0.031 20 0 CBADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCC[N@@H+](C)CC1 ZINC000359012880 419938837 /nfs/dbraw/zinc/93/88/37/419938837.db2.gz PEQHBEWJLBTSFK-AWEZNQCLSA-N 2 2 297.447 -0.031 20 0 CBADLP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359280723 419955923 /nfs/dbraw/zinc/95/59/23/419955923.db2.gz ICOQEWLHQNOBMW-WOPDTQHZSA-N 2 2 294.399 -0.737 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000359307698 419956750 /nfs/dbraw/zinc/95/67/50/419956750.db2.gz NYLNLXSQCBIMLC-MELADBBJSA-N 3 2 280.416 -0.310 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000359307698 419956755 /nfs/dbraw/zinc/95/67/55/419956755.db2.gz NYLNLXSQCBIMLC-MELADBBJSA-N 3 2 280.416 -0.310 20 0 CBADLP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359280720 419957089 /nfs/dbraw/zinc/95/70/89/419957089.db2.gz ICOQEWLHQNOBMW-UTUOFQBUSA-N 2 2 294.399 -0.737 20 0 CBADLP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359280720 419957093 /nfs/dbraw/zinc/95/70/93/419957093.db2.gz ICOQEWLHQNOBMW-UTUOFQBUSA-N 2 2 294.399 -0.737 20 0 CBADLP COCCCS(=O)(=O)NCC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359308291 419957601 /nfs/dbraw/zinc/95/76/01/419957601.db2.gz OLJQTCNCQBAUDR-TXEJJXNPSA-N 2 2 291.417 -0.907 20 0 CBADLP COCCCS(=O)(=O)NCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359308291 419957606 /nfs/dbraw/zinc/95/76/06/419957606.db2.gz OLJQTCNCQBAUDR-TXEJJXNPSA-N 2 2 291.417 -0.907 20 0 CBADLP O=C(C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)NCc1cccnc1 ZINC000359316585 419958672 /nfs/dbraw/zinc/95/86/72/419958672.db2.gz XDGSHEYWOKZAIJ-CHWSQXEVSA-N 2 2 260.341 -0.151 20 0 CBADLP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000359313332 419959009 /nfs/dbraw/zinc/95/90/09/419959009.db2.gz VTAGSNIZIONROA-YVECIDJPSA-N 2 2 294.399 -0.750 20 0 CBADLP C[NH+]1CCN(CCNc2nc[nH+]c3c2OCCN3)CC1 ZINC000665689642 419959948 /nfs/dbraw/zinc/95/99/48/419959948.db2.gz BJVIXNPCCCSJIL-UHFFFAOYSA-N 2 2 278.360 -0.947 20 0 CBADLP C[C@H](C(=O)N(C)CC[NH+](C)C)[NH+]1CCN(C)CC1 ZINC000359582415 419973729 /nfs/dbraw/zinc/97/37/29/419973729.db2.gz DSRMLEFSAPRYBL-GFCCVEGCSA-N 2 2 256.394 -0.358 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+]1CCN(C[C@H]2C[NH+](C)CCO2)C[C@@H]1C ZINC000361754937 420020882 /nfs/dbraw/zinc/02/08/82/420020882.db2.gz IVSWGSOENNJZMN-BFHYXJOUSA-N 2 2 298.431 -0.413 20 0 CBADLP CC[C@H](C(N)=O)[N@H+]1CCN(C[C@H]2C[NH+](C)CCO2)C[C@@H]1C ZINC000361754937 420020886 /nfs/dbraw/zinc/02/08/86/420020886.db2.gz IVSWGSOENNJZMN-BFHYXJOUSA-N 2 2 298.431 -0.413 20 0 CBADLP CC[C@H](C(N)=O)[NH+]1CCN(C[C@H]2C[N@H+](C)CCO2)C[C@@H]1C ZINC000361754937 420020892 /nfs/dbraw/zinc/02/08/92/420020892.db2.gz IVSWGSOENNJZMN-BFHYXJOUSA-N 2 2 298.431 -0.413 20 0 CBADLP CC[C@H](C(N)=O)[NH+]1CCN(C[C@H]2C[N@@H+](C)CCO2)C[C@@H]1C ZINC000361754937 420020896 /nfs/dbraw/zinc/02/08/96/420020896.db2.gz IVSWGSOENNJZMN-BFHYXJOUSA-N 2 2 298.431 -0.413 20 0 CBADLP C[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364231777 420033925 /nfs/dbraw/zinc/03/39/25/420033925.db2.gz QTCCOKWVSJOAGR-GFCCVEGCSA-N 3 2 268.405 -0.167 20 0 CBADLP C[NH+](C)CC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364231777 420033933 /nfs/dbraw/zinc/03/39/33/420033933.db2.gz QTCCOKWVSJOAGR-GFCCVEGCSA-N 3 2 268.405 -0.167 20 0 CBADLP C[NH+](C)CC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000364231777 420033936 /nfs/dbraw/zinc/03/39/36/420033936.db2.gz QTCCOKWVSJOAGR-GFCCVEGCSA-N 2 2 268.405 -0.167 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H](O)C3(CC3)C2)CC1 ZINC000364434392 420037193 /nfs/dbraw/zinc/03/71/93/420037193.db2.gz MOKSYJZJZCLRGD-LLVKDONJSA-N 2 2 253.346 -0.783 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2C[C@@H](O)C3(CC3)C2)CC1 ZINC000364434392 420037195 /nfs/dbraw/zinc/03/71/95/420037195.db2.gz MOKSYJZJZCLRGD-LLVKDONJSA-N 2 2 253.346 -0.783 20 0 CBADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@]2(C)CNC(=O)C2)CC1 ZINC000364481932 420039282 /nfs/dbraw/zinc/03/92/82/420039282.db2.gz GZDDBZGSHHQUEA-OAHLLOKOSA-N 2 2 296.415 -0.345 20 0 CBADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C3C[NH2+]C3)CC2)CC1 ZINC000364631276 420043375 /nfs/dbraw/zinc/04/33/75/420043375.db2.gz IJWPAJDNDTVEID-UHFFFAOYSA-N 3 2 280.416 -0.119 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+]3CCC2CC3)C1 ZINC000365040779 420053133 /nfs/dbraw/zinc/05/31/33/420053133.db2.gz ZZYUDJGPHUOLRY-GFCCVEGCSA-N 2 2 253.346 -0.376 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N2CC[NH+]3CCC2CC3)C1 ZINC000365040779 420053136 /nfs/dbraw/zinc/05/31/36/420053136.db2.gz ZZYUDJGPHUOLRY-GFCCVEGCSA-N 2 2 253.346 -0.376 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[NH2+][C@H](c3ccncc3)C2)C1 ZINC000367084628 420098483 /nfs/dbraw/zinc/09/84/83/420098483.db2.gz NGGIHHFEEPZWCI-UONOGXRCSA-N 2 2 290.367 -0.115 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N2CC[NH2+][C@H](c3ccncc3)C2)C1 ZINC000367084628 420098489 /nfs/dbraw/zinc/09/84/89/420098489.db2.gz NGGIHHFEEPZWCI-UONOGXRCSA-N 2 2 290.367 -0.115 20 0 CBADLP CC[N@@H+]1CCOC[C@@H]1C(=O)NCC[NH+](C)CCOC ZINC000367255656 420101671 /nfs/dbraw/zinc/10/16/71/420101671.db2.gz OIGZVEJUTULRNQ-GFCCVEGCSA-N 2 2 273.377 -0.599 20 0 CBADLP CC[N@H+]1CCOC[C@@H]1C(=O)NCC[NH+](C)CCOC ZINC000367255656 420101673 /nfs/dbraw/zinc/10/16/73/420101673.db2.gz OIGZVEJUTULRNQ-GFCCVEGCSA-N 2 2 273.377 -0.599 20 0 CBADLP CC[NH+]1CCOC[C@@H]1C(=O)NCC[N@H+](C)CCOC ZINC000367255656 420101676 /nfs/dbraw/zinc/10/16/76/420101676.db2.gz OIGZVEJUTULRNQ-GFCCVEGCSA-N 2 2 273.377 -0.599 20 0 CBADLP CC[NH+]1CCOC[C@@H]1C(=O)NCC[N@@H+](C)CCOC ZINC000367255656 420101678 /nfs/dbraw/zinc/10/16/78/420101678.db2.gz OIGZVEJUTULRNQ-GFCCVEGCSA-N 2 2 273.377 -0.599 20 0 CBADLP COCCOCC[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000652998000 420104292 /nfs/dbraw/zinc/10/42/92/420104292.db2.gz VHJONZFUIGGLLO-AWEZNQCLSA-N 2 2 299.415 -0.255 20 0 CBADLP COCCOCC[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000652998000 420104294 /nfs/dbraw/zinc/10/42/94/420104294.db2.gz VHJONZFUIGGLLO-AWEZNQCLSA-N 2 2 299.415 -0.255 20 0 CBADLP O=C(N1CC[NH+](CCO)CC1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000367497086 420108048 /nfs/dbraw/zinc/10/80/48/420108048.db2.gz JWGHNRDFIIEXOT-TZMCWYRMSA-N 2 2 267.373 -0.487 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000653052457 420111172 /nfs/dbraw/zinc/11/11/72/420111172.db2.gz GEKUQMOOEWKWIO-GRYCIOLGSA-N 3 2 256.394 -0.101 20 0 CBADLP CN(CC(=O)NC(C)(C)C)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653061068 420111835 /nfs/dbraw/zinc/11/18/35/420111835.db2.gz AGAAQCYSTYRTGY-JTQLQIEISA-N 2 2 272.393 -0.362 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000653052460 420111870 /nfs/dbraw/zinc/11/18/70/420111870.db2.gz GEKUQMOOEWKWIO-WOPDTQHZSA-N 3 2 256.394 -0.101 20 0 CBADLP C[C@H](C[NH3+])C(=O)NC[C@]1([NH+]2CCOCC2)CCCOC1 ZINC000367644685 420112347 /nfs/dbraw/zinc/11/23/47/420112347.db2.gz USALPUDYQXUYQQ-TZMCWYRMSA-N 2 2 285.388 -0.421 20 0 CBADLP CC[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653080545 420112584 /nfs/dbraw/zinc/11/25/84/420112584.db2.gz KZHAKWQCRUPBAF-DCAQKATOSA-N 2 2 272.393 -0.315 20 0 CBADLP C[C@@H](C[NH3+])C(=O)N1CC[NH+](C2(C(N)=O)CCCC2)CC1 ZINC000367649038 420113357 /nfs/dbraw/zinc/11/33/57/420113357.db2.gz OVHCHXKIMVIXRK-NSHDSACASA-N 2 2 282.388 -0.477 20 0 CBADLP C[C@H](CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)Cn1cccn1 ZINC000653073247 420113365 /nfs/dbraw/zinc/11/33/65/420113365.db2.gz WYHUKKOLKGMWMC-NEPJUHHUSA-N 2 2 267.377 -0.086 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCCNC(=O)c1ccccc1 ZINC000653064255 420113826 /nfs/dbraw/zinc/11/38/26/420113826.db2.gz MILCXTXMBJXIEM-CYBMUJFWSA-N 2 2 292.383 -0.188 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCN(C2CC2)C(=O)C1 ZINC000653090950 420115151 /nfs/dbraw/zinc/11/51/51/420115151.db2.gz DETICSKBTBIVBA-NSHDSACASA-N 2 2 268.361 -0.901 20 0 CBADLP CN1CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C(C)(C)C1=O ZINC000653095876 420115438 /nfs/dbraw/zinc/11/54/38/420115438.db2.gz ZCFUPOSLEZNEAQ-SNVBAGLBSA-N 2 2 270.377 -0.655 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1nnc2ccccn21 ZINC000653111687 420116348 /nfs/dbraw/zinc/11/63/48/420116348.db2.gz WLEMLOQJYRMWBU-VIFPVBQESA-N 2 2 262.317 -0.053 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000653111456 420116552 /nfs/dbraw/zinc/11/65/52/420116552.db2.gz OTVAQFCZXRHSKY-CYBMUJFWSA-N 3 2 268.405 -0.180 20 0 CBADLP C[C@@H]1CN(C(=O)C2C[NH2+]C2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000367824989 420117290 /nfs/dbraw/zinc/11/72/90/420117290.db2.gz QRDOREMOHZRZCH-GFCCVEGCSA-N 3 2 280.416 -0.167 20 0 CBADLP C[C@@H]1CN(C(=O)C2C[NH2+]C2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000367824989 420117292 /nfs/dbraw/zinc/11/72/92/420117292.db2.gz QRDOREMOHZRZCH-GFCCVEGCSA-N 3 2 280.416 -0.167 20 0 CBADLP C[NH+](C)CC[C@H](N)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000653112117 420117322 /nfs/dbraw/zinc/11/73/22/420117322.db2.gz MFASXCZUZQORJB-KGLIPLIRSA-N 2 2 298.431 -0.411 20 0 CBADLP C(C[NH+]1CCOCC1)N1CC[C@@H]([NH2+]C2COC2)C1 ZINC000367898527 420117536 /nfs/dbraw/zinc/11/75/36/420117536.db2.gz YUEWVSAKNQPZMK-GFCCVEGCSA-N 2 2 255.362 -0.619 20 0 CBADLP C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)CC1=O ZINC000653101898 420117495 /nfs/dbraw/zinc/11/74/95/420117495.db2.gz JIWNUDSKGFFKEC-RHYQMDGZSA-N 2 2 282.388 -0.609 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCC[NH+]1CCCCC1 ZINC000653106980 420117510 /nfs/dbraw/zinc/11/75/10/420117510.db2.gz SVGFMTRKZPTCLD-LBPRGKRZSA-N 3 2 256.394 -0.133 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653116335 420119830 /nfs/dbraw/zinc/11/98/30/420119830.db2.gz CNHNUVAEYDWVGK-OBJOEFQTSA-N 2 2 283.372 -0.941 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653116335 420119834 /nfs/dbraw/zinc/11/98/34/420119834.db2.gz CNHNUVAEYDWVGK-OBJOEFQTSA-N 2 2 283.372 -0.941 20 0 CBADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@@H]2CCC[NH2+]CC2)CC1 ZINC000653121914 420120336 /nfs/dbraw/zinc/12/03/36/420120336.db2.gz GLSGAUSVCHLONH-GFCCVEGCSA-N 2 2 296.415 -0.216 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@]23C[NH2+]C[C@H]2COC3)CCO1 ZINC000653114752 420120509 /nfs/dbraw/zinc/12/05/09/420120509.db2.gz VJCQEKKMEFGDPJ-DYEKYZERSA-N 2 2 283.372 -0.941 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@]23C[NH2+]C[C@H]2COC3)CCO1 ZINC000653114752 420120513 /nfs/dbraw/zinc/12/05/13/420120513.db2.gz VJCQEKKMEFGDPJ-DYEKYZERSA-N 2 2 283.372 -0.941 20 0 CBADLP C[C@H](CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)[N@H+](C)C1CC1 ZINC000653116708 420120764 /nfs/dbraw/zinc/12/07/64/420120764.db2.gz PLPJSUFOPJTFJB-PWSUYJOCSA-N 3 2 256.394 -0.136 20 0 CBADLP C[C@H](CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)[N@@H+](C)C1CC1 ZINC000653116708 420120771 /nfs/dbraw/zinc/12/07/71/420120771.db2.gz PLPJSUFOPJTFJB-PWSUYJOCSA-N 3 2 256.394 -0.136 20 0 CBADLP C[C@H]([C@H](C)NC(=O)[C@]12C[NH2+]C[C@H]1COC2)[NH+]1CCOCC1 ZINC000653117654 420120839 /nfs/dbraw/zinc/12/08/39/420120839.db2.gz SEGVBZGCAWDELT-XFMPKHEZSA-N 2 2 297.399 -0.552 20 0 CBADLP Cc1[nH]c(=O)[nH]c(=O)c1NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653150295 420123364 /nfs/dbraw/zinc/12/33/64/420123364.db2.gz YDJSSEVXAQBXFR-SSDOTTSWSA-N 2 2 269.305 -0.586 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000653147649 420123447 /nfs/dbraw/zinc/12/34/47/420123447.db2.gz YHHZGLWXYKOIKU-QJPTWQEYSA-N 3 2 254.378 -0.524 20 0 CBADLP O=C(Cc1cn2c([nH+]1)CCCC2)NC[C@@H]1C[NH2+]CCO1 ZINC000653163410 420124446 /nfs/dbraw/zinc/12/44/46/420124446.db2.gz XPMKEEHIHZFKEO-LBPRGKRZSA-N 2 2 278.356 -0.134 20 0 CBADLP COC[C@@H]1CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C[C@H](C)O1 ZINC000653153865 420124548 /nfs/dbraw/zinc/12/45/48/420124548.db2.gz AYRXZHCRLSQCAW-SDDRHHMPSA-N 2 2 273.377 -0.472 20 0 CBADLP CCN1CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C(C)(C)C1=O ZINC000653160043 420124666 /nfs/dbraw/zinc/12/46/66/420124666.db2.gz WFCMUHKLKMEBAQ-LLVKDONJSA-N 2 2 284.404 -0.265 20 0 CBADLP C[C@@H]1CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C[C@@]1(C)C[NH3+] ZINC000653162901 420124676 /nfs/dbraw/zinc/12/46/76/420124676.db2.gz SDNSWUQFYHTYNN-NQBHXWOUSA-N 3 2 256.394 -0.291 20 0 CBADLP CN(C)c1ncc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)cn1 ZINC000653156880 420124756 /nfs/dbraw/zinc/12/47/56/420124756.db2.gz OHOSTDYSXRCFNM-JTQLQIEISA-N 2 2 266.349 -0.240 20 0 CBADLP CC[C@@](NC(=O)[C@H]([NH3+])CC[NH+](C)C)(C(N)=O)C(C)C ZINC000653154564 420124817 /nfs/dbraw/zinc/12/48/17/420124817.db2.gz VIQDURIWGSVBJR-MFKMUULPSA-N 2 2 272.393 -0.328 20 0 CBADLP CCC[C@H]1C(=O)NCCN1C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653153714 420125021 /nfs/dbraw/zinc/12/50/21/420125021.db2.gz XQJYWWCJTDJTGQ-QWRGUYRKSA-N 2 2 270.377 -0.608 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000653193020 420125597 /nfs/dbraw/zinc/12/55/97/420125597.db2.gz ADVQVHSHNIGKPT-SCRDCRAPSA-N 3 2 268.405 -0.147 20 0 CBADLP CC(C)C[N@H+](C)CCCNC(=O)CN1CC[NH2+]CC1=O ZINC000653175834 420125744 /nfs/dbraw/zinc/12/57/44/420125744.db2.gz CDLJQRBWGQNMPG-UHFFFAOYSA-N 2 2 284.404 -0.488 20 0 CBADLP CC(C)C[N@@H+](C)CCCNC(=O)CN1CC[NH2+]CC1=O ZINC000653175834 420125749 /nfs/dbraw/zinc/12/57/49/420125749.db2.gz CDLJQRBWGQNMPG-UHFFFAOYSA-N 2 2 284.404 -0.488 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CC[C@H](Nc2ncccn2)C1 ZINC000653167035 420125883 /nfs/dbraw/zinc/12/58/83/420125883.db2.gz FUSIDYPUHKQMGC-RYUDHWBXSA-N 2 2 292.387 -0.232 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CC[C@@H](Nc2ncccn2)C1 ZINC000653167033 420126547 /nfs/dbraw/zinc/12/65/47/420126547.db2.gz FUSIDYPUHKQMGC-NEPJUHHUSA-N 2 2 292.387 -0.232 20 0 CBADLP COCC[C@H]1COCC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000368282549 420127477 /nfs/dbraw/zinc/12/74/77/420127477.db2.gz UFSDUHVSKFZBRR-AWEZNQCLSA-N 2 2 299.415 -0.112 20 0 CBADLP COCC[C@H]1COCC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000368282549 420127479 /nfs/dbraw/zinc/12/74/79/420127479.db2.gz UFSDUHVSKFZBRR-AWEZNQCLSA-N 2 2 299.415 -0.112 20 0 CBADLP C[NH+]1CCN(C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)CC1 ZINC000368388017 420129979 /nfs/dbraw/zinc/12/99/79/420129979.db2.gz OJJHXUHKGXAUQY-ZDUSSCGKSA-N 2 2 282.388 -0.193 20 0 CBADLP C[NH+]1CCN(C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)CC1 ZINC000368388017 420129984 /nfs/dbraw/zinc/12/99/84/420129984.db2.gz OJJHXUHKGXAUQY-ZDUSSCGKSA-N 2 2 282.388 -0.193 20 0 CBADLP COCCOCC[NH+]1CCN(C(=O)[C@H](C)C[NH3+])CC1 ZINC000653274488 420134070 /nfs/dbraw/zinc/13/40/70/420134070.db2.gz HFSPXCBULXLEHJ-GFCCVEGCSA-N 2 2 273.377 -0.612 20 0 CBADLP C[NH2+]CC(=O)N1CC[NH+](CCOCCOC)CC1 ZINC000653275705 420134790 /nfs/dbraw/zinc/13/47/90/420134790.db2.gz LRGPZRNZOCOOJH-UHFFFAOYSA-N 2 2 259.350 -0.987 20 0 CBADLP COCCOCC[NH+]1CCN(C(=O)CC[C@H](C)[NH3+])CC1 ZINC000653275882 420134837 /nfs/dbraw/zinc/13/48/37/420134837.db2.gz QCIBENKKDQQUIR-ZDUSSCGKSA-N 2 2 287.404 -0.079 20 0 CBADLP C[NH+](C)CCN1C(=O)C[C@@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)C1=O ZINC000653285114 420138170 /nfs/dbraw/zinc/13/81/70/420138170.db2.gz DFNKTIYDEQQAKA-CHWSQXEVSA-N 3 2 296.415 -0.393 20 0 CBADLP C[NH+](C)CCN1C(=O)C[C@@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)C1=O ZINC000653285114 420138175 /nfs/dbraw/zinc/13/81/75/420138175.db2.gz DFNKTIYDEQQAKA-CHWSQXEVSA-N 3 2 296.415 -0.393 20 0 CBADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)NCC(=O)N1CCCC1 ZINC000653298599 420138568 /nfs/dbraw/zinc/13/85/68/420138568.db2.gz XCVCGXBWNDLIAS-NWDGAFQWSA-N 2 2 282.388 -0.463 20 0 CBADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)NCC(=O)N1CCCC1 ZINC000653298599 420138570 /nfs/dbraw/zinc/13/85/70/420138570.db2.gz XCVCGXBWNDLIAS-NWDGAFQWSA-N 2 2 282.388 -0.463 20 0 CBADLP CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@@H]1C[NH2+][C@@H](C(=O)OC)C1 ZINC000366167782 420078045 /nfs/dbraw/zinc/07/80/45/420078045.db2.gz CUGRCHDKVSGAEH-AXTSPUMRSA-N 2 2 257.334 -0.621 20 0 CBADLP C[NH+](C)CCN1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1=O ZINC000652734591 420079825 /nfs/dbraw/zinc/07/98/25/420079825.db2.gz PUENLKKWIHNQMK-UHFFFAOYSA-N 2 2 293.371 -0.425 20 0 CBADLP CCNC(=O)NC(=O)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366445477 420085735 /nfs/dbraw/zinc/08/57/35/420085735.db2.gz XFIVVSNPQZSTLO-CYBMUJFWSA-N 2 2 268.361 -0.140 20 0 CBADLP CCNC(=O)NC(=O)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366445477 420085740 /nfs/dbraw/zinc/08/57/40/420085740.db2.gz XFIVVSNPQZSTLO-CYBMUJFWSA-N 2 2 268.361 -0.140 20 0 CBADLP CCNC(=O)NC(=O)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000366445477 420085744 /nfs/dbraw/zinc/08/57/44/420085744.db2.gz XFIVVSNPQZSTLO-CYBMUJFWSA-N 2 2 268.361 -0.140 20 0 CBADLP CCNC(=O)NC(=O)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000366445477 420085748 /nfs/dbraw/zinc/08/57/48/420085748.db2.gz XFIVVSNPQZSTLO-CYBMUJFWSA-N 2 2 268.361 -0.140 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000366478353 420087779 /nfs/dbraw/zinc/08/77/79/420087779.db2.gz JBNONTUCUWJMEV-KGLIPLIRSA-N 2 2 297.399 -0.360 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000366478353 420087781 /nfs/dbraw/zinc/08/77/81/420087781.db2.gz JBNONTUCUWJMEV-KGLIPLIRSA-N 2 2 297.399 -0.360 20 0 CBADLP [NH3+]C1(C(=O)NCC[NH+]2CCOCC2)Cc2ccccc2C1 ZINC000370780277 420187579 /nfs/dbraw/zinc/18/75/79/420187579.db2.gz MZHHJEZGQIINQD-UHFFFAOYSA-N 2 2 289.379 -0.069 20 0 CBADLP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC[N@H+](CC(=O)NC)CC1 ZINC000376820712 420195655 /nfs/dbraw/zinc/19/56/55/420195655.db2.gz BNKOXMVRTOXPEE-AAEUAGOBSA-N 2 2 284.404 -0.360 20 0 CBADLP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC[N@@H+](CC(=O)NC)CC1 ZINC000376820712 420195657 /nfs/dbraw/zinc/19/56/57/420195657.db2.gz BNKOXMVRTOXPEE-AAEUAGOBSA-N 2 2 284.404 -0.360 20 0 CBADLP CN(CCC[NH3+])Cc1cn(CC[NH+]2CCOCC2)nn1 ZINC000381449651 420198820 /nfs/dbraw/zinc/19/88/20/420198820.db2.gz XYPDGMQZLBPYRL-UHFFFAOYSA-N 2 2 282.392 -0.609 20 0 CBADLP C[N@H+](C[C@H](O)C[NH2+]CC(=O)N1CCCC1)C1CC1 ZINC000386319208 420202173 /nfs/dbraw/zinc/20/21/73/420202173.db2.gz IEXCDWPKMSSNLO-GFCCVEGCSA-N 2 2 255.362 -0.347 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH2+]CC(=O)N1CCCC1)C1CC1 ZINC000386319208 420202179 /nfs/dbraw/zinc/20/21/79/420202179.db2.gz IEXCDWPKMSSNLO-GFCCVEGCSA-N 2 2 255.362 -0.347 20 0 CBADLP CC(C)CNC(=O)NC(=O)C[N@H+](C)C1CC([NH3+])C1 ZINC000395007991 420212240 /nfs/dbraw/zinc/21/22/40/420212240.db2.gz IMLYIHMQILNPBA-UHFFFAOYSA-N 2 2 256.350 -0.110 20 0 CBADLP CC(C)CNC(=O)NC(=O)C[N@@H+](C)C1CC([NH3+])C1 ZINC000395007991 420212245 /nfs/dbraw/zinc/21/22/45/420212245.db2.gz IMLYIHMQILNPBA-UHFFFAOYSA-N 2 2 256.350 -0.110 20 0 CBADLP CNC(=O)CCC[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000653588281 420151564 /nfs/dbraw/zinc/15/15/64/420151564.db2.gz NKEOZNZKQOWVBO-CYBMUJFWSA-N 2 2 296.415 -0.073 20 0 CBADLP CNC(=O)CCC[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000653588281 420151569 /nfs/dbraw/zinc/15/15/69/420151569.db2.gz NKEOZNZKQOWVBO-CYBMUJFWSA-N 2 2 296.415 -0.073 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)C[C@@H]1C(N)=O ZINC000653625950 420151880 /nfs/dbraw/zinc/15/18/80/420151880.db2.gz YHPPYNMTWSPDPE-GRYCIOLGSA-N 2 2 257.378 -0.115 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)C[C@@H]1C(N)=O ZINC000653625950 420151882 /nfs/dbraw/zinc/15/18/82/420151882.db2.gz YHPPYNMTWSPDPE-GRYCIOLGSA-N 2 2 257.378 -0.115 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](C)C[C@@H]1C(N)=O ZINC000653625950 420151885 /nfs/dbraw/zinc/15/18/85/420151885.db2.gz YHPPYNMTWSPDPE-GRYCIOLGSA-N 2 2 257.378 -0.115 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](C)C[C@@H]1C(N)=O ZINC000653625950 420151889 /nfs/dbraw/zinc/15/18/89/420151889.db2.gz YHPPYNMTWSPDPE-GRYCIOLGSA-N 2 2 257.378 -0.115 20 0 CBADLP CC[N@H+](C)C[C@@H](O)CN(C)[C@H](C)C[NH+]1CCOCC1 ZINC000653649582 420154586 /nfs/dbraw/zinc/15/45/86/420154586.db2.gz NBQADPADXYUGIG-ZIAGYGMSSA-N 2 2 273.421 -0.049 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)CN(C)[C@H](C)C[NH+]1CCOCC1 ZINC000653649582 420154590 /nfs/dbraw/zinc/15/45/90/420154590.db2.gz NBQADPADXYUGIG-ZIAGYGMSSA-N 2 2 273.421 -0.049 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+](C)[C@H](C)CN1CCOCC1 ZINC000653649582 420154593 /nfs/dbraw/zinc/15/45/93/420154593.db2.gz NBQADPADXYUGIG-ZIAGYGMSSA-N 2 2 273.421 -0.049 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@H](C)CN1CCOCC1 ZINC000653649582 420154597 /nfs/dbraw/zinc/15/45/97/420154597.db2.gz NBQADPADXYUGIG-ZIAGYGMSSA-N 2 2 273.421 -0.049 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@H+](C)[C@H](C)CN1CCOCC1 ZINC000653649582 420154600 /nfs/dbraw/zinc/15/46/00/420154600.db2.gz NBQADPADXYUGIG-ZIAGYGMSSA-N 2 2 273.421 -0.049 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@H](C)CN1CCOCC1 ZINC000653649582 420154605 /nfs/dbraw/zinc/15/46/05/420154605.db2.gz NBQADPADXYUGIG-ZIAGYGMSSA-N 2 2 273.421 -0.049 20 0 CBADLP CC(C)NC(=O)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000369271281 420156608 /nfs/dbraw/zinc/15/66/08/420156608.db2.gz PTMCVDABZROJIC-UHFFFAOYSA-N 2 2 299.415 -0.330 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@]12CCNC2=O ZINC000653717281 420157067 /nfs/dbraw/zinc/15/70/67/420157067.db2.gz ODASTADPBMJSMR-TZMCWYRMSA-N 2 2 285.388 -0.720 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@]12CCNC2=O ZINC000653717281 420157070 /nfs/dbraw/zinc/15/70/70/420157070.db2.gz ODASTADPBMJSMR-TZMCWYRMSA-N 2 2 285.388 -0.720 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@]12CCNC2=O ZINC000653717281 420157072 /nfs/dbraw/zinc/15/70/72/420157072.db2.gz ODASTADPBMJSMR-TZMCWYRMSA-N 2 2 285.388 -0.720 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@]12CCNC2=O ZINC000653717281 420157074 /nfs/dbraw/zinc/15/70/74/420157074.db2.gz ODASTADPBMJSMR-TZMCWYRMSA-N 2 2 285.388 -0.720 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCCCO)C2)CC1 ZINC000369372919 420158006 /nfs/dbraw/zinc/15/80/06/420158006.db2.gz MZQJLSXDJMUJQQ-LBPRGKRZSA-N 2 2 284.404 -0.164 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCCCO)C2)CC1 ZINC000369372919 420158011 /nfs/dbraw/zinc/15/80/11/420158011.db2.gz MZQJLSXDJMUJQQ-LBPRGKRZSA-N 2 2 284.404 -0.164 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000653694622 420158037 /nfs/dbraw/zinc/15/80/37/420158037.db2.gz LGVDHZSJWUUESA-WUHRBBMRSA-N 2 2 258.362 -0.904 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000653694622 420158041 /nfs/dbraw/zinc/15/80/41/420158041.db2.gz LGVDHZSJWUUESA-WUHRBBMRSA-N 2 2 258.362 -0.904 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000653694622 420158043 /nfs/dbraw/zinc/15/80/43/420158043.db2.gz LGVDHZSJWUUESA-WUHRBBMRSA-N 2 2 258.362 -0.904 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000653694622 420158048 /nfs/dbraw/zinc/15/80/48/420158048.db2.gz LGVDHZSJWUUESA-WUHRBBMRSA-N 2 2 258.362 -0.904 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](O)C[C@@H]1COC ZINC000653778522 420161047 /nfs/dbraw/zinc/16/10/47/420161047.db2.gz CLVHRNXKLUNKDV-UPJWGTAASA-N 2 2 276.377 -0.993 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](O)C[C@@H]1COC ZINC000653778522 420161050 /nfs/dbraw/zinc/16/10/50/420161050.db2.gz CLVHRNXKLUNKDV-UPJWGTAASA-N 2 2 276.377 -0.993 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](O)C[C@@H]1COC ZINC000653778522 420161054 /nfs/dbraw/zinc/16/10/54/420161054.db2.gz CLVHRNXKLUNKDV-UPJWGTAASA-N 2 2 276.377 -0.993 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](O)C[C@@H]1COC ZINC000653778522 420161059 /nfs/dbraw/zinc/16/10/59/420161059.db2.gz CLVHRNXKLUNKDV-UPJWGTAASA-N 2 2 276.377 -0.993 20 0 CBADLP O=C(NCC[NH+]1CCOCC1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000369819970 420166452 /nfs/dbraw/zinc/16/64/52/420166452.db2.gz RVKAFXHBWMDPRS-DGCLKSJQSA-N 2 2 253.346 -0.566 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000653829338 420167402 /nfs/dbraw/zinc/16/74/02/420167402.db2.gz JYLQIKLPYQEEQY-MELADBBJSA-N 2 2 269.389 -0.542 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000653829338 420167406 /nfs/dbraw/zinc/16/74/06/420167406.db2.gz JYLQIKLPYQEEQY-MELADBBJSA-N 2 2 269.389 -0.542 20 0 CBADLP C[NH+](C)CC(=O)N(C1CC1)[C@@H]1CCN(C(=O)C[NH+](C)C)C1 ZINC000370452382 420180432 /nfs/dbraw/zinc/18/04/32/420180432.db2.gz JARREVGDFLSMIB-CYBMUJFWSA-N 2 2 296.415 -0.299 20 0 CBADLP C[C@@H]1C[NH2+]C[C@H]([NH2+][C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000401859149 420221939 /nfs/dbraw/zinc/22/19/39/420221939.db2.gz WUORLEWEMFHUNR-HBNTYKKESA-N 2 2 261.391 -0.392 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(CO)(OC)CC1 ZINC000401880252 420222591 /nfs/dbraw/zinc/22/25/91/420222591.db2.gz PZFUAYKAZSLBGG-GFCCVEGCSA-N 2 2 260.378 -0.228 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(CO)(OC)CC1 ZINC000401880252 420222595 /nfs/dbraw/zinc/22/25/95/420222595.db2.gz PZFUAYKAZSLBGG-GFCCVEGCSA-N 2 2 260.378 -0.228 20 0 CBADLP C[C@@H]1C[NH2+]C[C@H]([NH2+][C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000401859147 420222740 /nfs/dbraw/zinc/22/27/40/420222740.db2.gz WUORLEWEMFHUNR-GARJFASQSA-N 2 2 261.391 -0.392 20 0 CBADLP C[C@@H]1C[NH2+]C[C@@H]([NH2+][C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000401859142 420222903 /nfs/dbraw/zinc/22/29/03/420222903.db2.gz WUORLEWEMFHUNR-AXFHLTTASA-N 2 2 261.391 -0.392 20 0 CBADLP O=C(NCC[NH+]1CCOCC1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407272391 420229256 /nfs/dbraw/zinc/22/92/56/420229256.db2.gz QAWHZDHKVVTAFA-OLZOCXBDSA-N 2 2 267.373 -0.035 20 0 CBADLP CC(C)[NH+]1CCC([N@H+](C)CC(=O)NC(N)=O)CC1 ZINC000407982265 420229771 /nfs/dbraw/zinc/22/97/71/420229771.db2.gz ZKZKMRXOZJTKPD-UHFFFAOYSA-N 2 2 256.350 -0.014 20 0 CBADLP CC(C)[NH+]1CCC([N@@H+](C)CC(=O)NC(N)=O)CC1 ZINC000407982265 420229774 /nfs/dbraw/zinc/22/97/74/420229774.db2.gz ZKZKMRXOZJTKPD-UHFFFAOYSA-N 2 2 256.350 -0.014 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655244181 420234336 /nfs/dbraw/zinc/23/43/36/420234336.db2.gz NRZOHJYHPIFDSJ-MQYQWHSLSA-N 2 2 299.415 -0.069 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655244181 420234341 /nfs/dbraw/zinc/23/43/41/420234341.db2.gz NRZOHJYHPIFDSJ-MQYQWHSLSA-N 2 2 299.415 -0.069 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1C[NH+](C)CCO1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655244181 420234344 /nfs/dbraw/zinc/23/43/44/420234344.db2.gz NRZOHJYHPIFDSJ-MQYQWHSLSA-N 2 2 299.415 -0.069 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1C[NH+](C)CCO1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655244181 420234349 /nfs/dbraw/zinc/23/43/49/420234349.db2.gz NRZOHJYHPIFDSJ-MQYQWHSLSA-N 2 2 299.415 -0.069 20 0 CBADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3[C@H](C2)OCC[NH+]3C)C1 ZINC000412427360 420234893 /nfs/dbraw/zinc/23/48/93/420234893.db2.gz NGFHECDLXNRPFT-HZSPNIEDSA-N 2 2 297.399 -0.363 20 0 CBADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3[C@H](C2)OCC[NH+]3C)C1 ZINC000412427360 420234896 /nfs/dbraw/zinc/23/48/96/420234896.db2.gz NGFHECDLXNRPFT-HZSPNIEDSA-N 2 2 297.399 -0.363 20 0 CBADLP CC(C)[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)C1 ZINC000412427360 420234899 /nfs/dbraw/zinc/23/48/99/420234899.db2.gz NGFHECDLXNRPFT-HZSPNIEDSA-N 2 2 297.399 -0.363 20 0 CBADLP CC(C)[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)C1 ZINC000412427360 420234901 /nfs/dbraw/zinc/23/49/01/420234901.db2.gz NGFHECDLXNRPFT-HZSPNIEDSA-N 2 2 297.399 -0.363 20 0 CBADLP C[C@@H](O)CNc1cc(NCC[N@@H+]2CCOC[C@H]2C)nc[nH+]1 ZINC000413126969 420235631 /nfs/dbraw/zinc/23/56/31/420235631.db2.gz UYLFVTFRPKZENW-VXGBXAGGSA-N 2 2 295.387 0.402 20 0 CBADLP C[C@@H](O)CNc1cc(NCC[N@H+]2CCOC[C@H]2C)nc[nH+]1 ZINC000413126969 420235634 /nfs/dbraw/zinc/23/56/34/420235634.db2.gz UYLFVTFRPKZENW-VXGBXAGGSA-N 2 2 295.387 0.402 20 0 CBADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655299179 420241277 /nfs/dbraw/zinc/24/12/77/420241277.db2.gz WGQULIDHFOQAJO-RWMBFGLXSA-N 2 2 290.367 -0.277 20 0 CBADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655299179 420241279 /nfs/dbraw/zinc/24/12/79/420241279.db2.gz WGQULIDHFOQAJO-RWMBFGLXSA-N 2 2 290.367 -0.277 20 0 CBADLP CN(CCN1CC[NH2+]CC1)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000655414607 420247427 /nfs/dbraw/zinc/24/74/27/420247427.db2.gz RDSXOCBREIVHCC-CYBMUJFWSA-N 2 2 291.399 -0.191 20 0 CBADLP C[N@@H+]1CCN(C(=O)C[C@@H]2CCC[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000655419324 420247571 /nfs/dbraw/zinc/24/75/71/420247571.db2.gz SICKEUWJYVCADS-RYUDHWBXSA-N 3 2 254.378 -0.523 20 0 CBADLP C[N@H+]1CCN(C(=O)C[C@@H]2CCC[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000655419324 420247573 /nfs/dbraw/zinc/24/75/73/420247573.db2.gz SICKEUWJYVCADS-RYUDHWBXSA-N 3 2 254.378 -0.523 20 0 CBADLP O=C(NCC[NH+]1CCOCC1)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655442745 420249775 /nfs/dbraw/zinc/24/97/75/420249775.db2.gz ZIIMYWJQWFFYDB-OCCSQVGLSA-N 2 2 267.373 -0.176 20 0 CBADLP C[NH2+][C@@H](C)C(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000655443644 420250317 /nfs/dbraw/zinc/25/03/17/420250317.db2.gz RQSDXUBOZKYWQJ-WDEREUQCSA-N 2 2 282.388 -0.594 20 0 CBADLP [NH3+]C[C@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CCO1 ZINC000655453750 420252260 /nfs/dbraw/zinc/25/22/60/420252260.db2.gz QAMHRUCWHYDFRZ-QWRGUYRKSA-N 2 2 264.329 -0.368 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1C[NH2+]CCO1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488813 420255577 /nfs/dbraw/zinc/25/55/77/420255577.db2.gz GLEHUROIZKXEBS-NDBYEHHHSA-N 2 2 285.388 -0.411 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1C[NH2+]CCO1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488813 420255582 /nfs/dbraw/zinc/25/55/82/420255582.db2.gz GLEHUROIZKXEBS-NDBYEHHHSA-N 2 2 285.388 -0.411 20 0 CBADLP C[N@@H+]1CC[C@](O)(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000655755284 420270514 /nfs/dbraw/zinc/27/05/14/420270514.db2.gz WEHLWXDHGNMHAI-CABCVRRESA-N 3 2 283.416 -0.104 20 0 CBADLP C[N@H+]1CC[C@](O)(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000655755284 420270518 /nfs/dbraw/zinc/27/05/18/420270518.db2.gz WEHLWXDHGNMHAI-CABCVRRESA-N 3 2 283.416 -0.104 20 0 CBADLP C[NH2+]CCCC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000430728915 420271700 /nfs/dbraw/zinc/27/17/00/420271700.db2.gz DLXIRSPULURODD-UHFFFAOYSA-N 2 2 295.387 0.153 20 0 CBADLP C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H](C[NH3+])C1)C(=O)N(C)C ZINC000430611269 420271800 /nfs/dbraw/zinc/27/18/00/420271800.db2.gz OABXHEVCQGFJHE-MNOVXSKESA-N 2 2 270.377 -0.750 20 0 CBADLP C[C@@H](NC(=O)C[N@H+]1CCC[C@@H](C[NH3+])C1)C(=O)N(C)C ZINC000430611269 420271802 /nfs/dbraw/zinc/27/18/02/420271802.db2.gz OABXHEVCQGFJHE-MNOVXSKESA-N 2 2 270.377 -0.750 20 0 CBADLP C[C@@H](NC(=O)C[N@@H+]1CCC[C@H](C[NH3+])C1)C(=O)N(C)C ZINC000430611268 420272553 /nfs/dbraw/zinc/27/25/53/420272553.db2.gz OABXHEVCQGFJHE-GHMZBOCLSA-N 2 2 270.377 -0.750 20 0 CBADLP C[C@@H](NC(=O)C[N@H+]1CCC[C@H](C[NH3+])C1)C(=O)N(C)C ZINC000430611268 420272554 /nfs/dbraw/zinc/27/25/54/420272554.db2.gz OABXHEVCQGFJHE-GHMZBOCLSA-N 2 2 270.377 -0.750 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]([NH3+])C1CCC1 ZINC000399077127 420219089 /nfs/dbraw/zinc/21/90/89/420219089.db2.gz ODUCWVAPNKTUIW-JQWIXIFHSA-N 2 2 255.362 -0.049 20 0 CBADLP Cc1nc(NCCN2CC[NH+](C)CC2)nc(N(C)C)[nH+]1 ZINC000488367125 420306246 /nfs/dbraw/zinc/30/62/46/420306246.db2.gz OEGGPWHQQAWQQT-UHFFFAOYSA-N 2 2 279.392 -0.095 20 0 CBADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)N(C)C ZINC000657071166 420339957 /nfs/dbraw/zinc/33/99/57/420339957.db2.gz HVDIANUOGXCHJW-NSHDSACASA-N 2 2 280.438 -0.346 20 0 CBADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)N(C)C ZINC000657071166 420339960 /nfs/dbraw/zinc/33/99/60/420339960.db2.gz HVDIANUOGXCHJW-NSHDSACASA-N 2 2 280.438 -0.346 20 0 CBADLP C[C@@H](C(=O)N[C@H](CO)C[NH+](C)C)[NH+]1CCSCC1 ZINC000673519862 544877484 /nfs/dbraw/zinc/87/74/84/544877484.db2.gz AQHNGHAEWCOAAU-QWRGUYRKSA-N 2 2 275.418 -0.538 20 0 CBADLP C[NH+](C)C[C@H](CO)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000673524323 544878080 /nfs/dbraw/zinc/87/80/80/544878080.db2.gz REKPQJBBUKZYBR-LLVKDONJSA-N 2 2 262.313 -0.013 20 0 CBADLP Cc1c[nH]c(C[NH2+]CCC(=O)N2CC[NH+](C)CC2)n1 ZINC000657345951 420352788 /nfs/dbraw/zinc/35/27/88/420352788.db2.gz BSYUIJARDCEOHU-UHFFFAOYSA-N 2 2 265.361 -0.028 20 0 CBADLP C[NH+]1CCC(O)(C[NH2+]Cc2nnn(C(C)(C)C)n2)CC1 ZINC000657372605 420353062 /nfs/dbraw/zinc/35/30/62/420353062.db2.gz UXNXHPJLUJJNEJ-UHFFFAOYSA-N 2 2 282.392 -0.026 20 0 CBADLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2cnn3c2CCC3)C1 ZINC000657437991 420354179 /nfs/dbraw/zinc/35/41/79/420354179.db2.gz YGTDEEPMEFZMSG-ZDUSSCGKSA-N 2 2 250.346 -0.015 20 0 CBADLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2cnn3c2CCC3)C1 ZINC000657437991 420354184 /nfs/dbraw/zinc/35/41/84/420354184.db2.gz YGTDEEPMEFZMSG-ZDUSSCGKSA-N 2 2 250.346 -0.015 20 0 CBADLP Cc1[nH+]cc(C[NH2+]C2CC(NS(C)(=O)=O)C2)n1C ZINC000657461623 420354858 /nfs/dbraw/zinc/35/48/58/420354858.db2.gz JJVSHONIVARUEO-UHFFFAOYSA-N 2 2 272.374 -0.102 20 0 CBADLP C[C@H]1C[C@@H](C(=O)N[C@@H](CO)C[NH+]2CCOCC2)CC[N@@H+]1C ZINC000508342526 420355015 /nfs/dbraw/zinc/35/50/15/420355015.db2.gz ZQLHGRWZSGAHGA-MELADBBJSA-N 2 2 299.415 -0.474 20 0 CBADLP C[C@H]1C[C@@H](C(=O)N[C@@H](CO)C[NH+]2CCOCC2)CC[N@H+]1C ZINC000508342526 420355021 /nfs/dbraw/zinc/35/50/21/420355021.db2.gz ZQLHGRWZSGAHGA-MELADBBJSA-N 2 2 299.415 -0.474 20 0 CBADLP Cc1nc(NC[C@H]2CCC[N@@H+]2CCCO)nc(N(C)C)[nH+]1 ZINC000450588504 420300060 /nfs/dbraw/zinc/30/00/60/420300060.db2.gz BNLPXGFHSFLYDS-GFCCVEGCSA-N 2 2 294.403 0.505 20 0 CBADLP Cc1nc(NC[C@H]2CCC[N@H+]2CCCO)nc(N(C)C)[nH+]1 ZINC000450588504 420300063 /nfs/dbraw/zinc/30/00/63/420300063.db2.gz BNLPXGFHSFLYDS-GFCCVEGCSA-N 2 2 294.403 0.505 20 0 CBADLP Cn1cnnc1N1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000656193289 420302760 /nfs/dbraw/zinc/30/27/60/420302760.db2.gz FDXCZXNSAQYDHT-CYBMUJFWSA-N 2 2 264.377 -0.063 20 0 CBADLP C[C@H](C[NH2+]C[C@H](O)Cn1cccn1)C[NH+]1CCOCC1 ZINC000517359670 420376191 /nfs/dbraw/zinc/37/61/91/420376191.db2.gz LIHAFEBYORZLRM-KGLIPLIRSA-N 2 2 282.388 -0.198 20 0 CBADLP CCN(C(=O)C(=O)N(C)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@H+](C)C1 ZINC000658801743 420388739 /nfs/dbraw/zinc/38/87/39/420388739.db2.gz FQGTXKICIHJEHL-GFCCVEGCSA-N 2 2 293.371 -0.079 20 0 CBADLP CCN(C(=O)C(=O)N(C)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@@H+](C)C1 ZINC000658801743 420388741 /nfs/dbraw/zinc/38/87/41/420388741.db2.gz FQGTXKICIHJEHL-GFCCVEGCSA-N 2 2 293.371 -0.079 20 0 CBADLP CCN(C(=O)C(=O)N(C)Cc1c[nH]c[nH+]1)[C@@H]1CC[N@H+](C)C1 ZINC000658801743 420388744 /nfs/dbraw/zinc/38/87/44/420388744.db2.gz FQGTXKICIHJEHL-GFCCVEGCSA-N 2 2 293.371 -0.079 20 0 CBADLP CCN(C(=O)C(=O)N(C)Cc1c[nH]c[nH+]1)[C@@H]1CC[N@@H+](C)C1 ZINC000658801743 420388748 /nfs/dbraw/zinc/38/87/48/420388748.db2.gz FQGTXKICIHJEHL-GFCCVEGCSA-N 2 2 293.371 -0.079 20 0 CBADLP C[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000659086258 420397846 /nfs/dbraw/zinc/39/78/46/420397846.db2.gz TXKYECUTVJRZMR-QMMMGPOBSA-N 2 2 261.285 -0.264 20 0 CBADLP O=C(Nc1ccc2[nH+]ccn2c1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000659073781 420397854 /nfs/dbraw/zinc/39/78/54/420397854.db2.gz DQFGWVOHNIGZTL-VIFPVBQESA-N 2 2 273.296 -0.249 20 0 CBADLP C[C@@H](C(=O)N1CC[NH+](CCn2cncn2)CC1)[NH+](C)C ZINC000674288771 544902122 /nfs/dbraw/zinc/90/21/22/544902122.db2.gz MMXKZDFIERFDHW-LBPRGKRZSA-N 2 2 280.376 -0.628 20 0 CBADLP Cc1ccn(CC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c(=O)c1 ZINC000516925899 420365310 /nfs/dbraw/zinc/36/53/10/420365310.db2.gz LRMNDAWIFCEAOS-LBPRGKRZSA-N 2 2 278.356 -0.742 20 0 CBADLP Cc1ccn(CC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c(=O)c1 ZINC000516925899 420365313 /nfs/dbraw/zinc/36/53/13/420365313.db2.gz LRMNDAWIFCEAOS-LBPRGKRZSA-N 2 2 278.356 -0.742 20 0 CBADLP O=C1C[C@H]([NH2+]Cc2cn[nH]c2)CN1CC[NH+]1CCOCC1 ZINC000676419122 544952078 /nfs/dbraw/zinc/95/20/78/544952078.db2.gz RCMXSIKFCPKCBA-ZDUSSCGKSA-N 2 2 293.371 -0.568 20 0 CBADLP O=S1(=O)CCCN1CC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000676557292 544953422 /nfs/dbraw/zinc/95/34/22/544953422.db2.gz PYGCMQVTQLIRHB-PHIMTYICSA-N 2 2 259.375 -0.827 20 0 CBADLP O=S1(=O)CCCN1CC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000676557292 544953428 /nfs/dbraw/zinc/95/34/28/544953428.db2.gz PYGCMQVTQLIRHB-PHIMTYICSA-N 2 2 259.375 -0.827 20 0 CBADLP C[C@H]1CN(C)C[C@@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000674878193 544920074 /nfs/dbraw/zinc/92/00/74/544920074.db2.gz GWDVDBRZJIECLK-RYUDHWBXSA-N 2 2 254.378 -0.700 20 0 CBADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCN1CCCS1(=O)=O ZINC000674878082 544920100 /nfs/dbraw/zinc/92/01/00/544920100.db2.gz DOEUSRAUSMMRML-RYUDHWBXSA-N 2 2 275.418 -0.048 20 0 CBADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCN1CCCS1(=O)=O ZINC000674878082 544920102 /nfs/dbraw/zinc/92/01/02/544920102.db2.gz DOEUSRAUSMMRML-RYUDHWBXSA-N 2 2 275.418 -0.048 20 0 CBADLP CN1CC[N@H+](C)[C@@H](CNC(=O)NCC2([NH3+])CCCC2)C1 ZINC000659453879 420420326 /nfs/dbraw/zinc/42/03/26/420420326.db2.gz UWMXNOGREFFRFU-LBPRGKRZSA-N 2 2 283.420 -0.197 20 0 CBADLP CN1CC[N@@H+](C)[C@@H](CNC(=O)NCC2([NH3+])CCCC2)C1 ZINC000659453879 420420328 /nfs/dbraw/zinc/42/03/28/420420328.db2.gz UWMXNOGREFFRFU-LBPRGKRZSA-N 2 2 283.420 -0.197 20 0 CBADLP C[NH2+]C[C@H](C)NC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000659451842 420420518 /nfs/dbraw/zinc/42/05/18/420420518.db2.gz UWIMVDNJMAJSEH-WDEREUQCSA-N 2 2 258.366 -0.386 20 0 CBADLP C[NH2+]C[C@H](C)NC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000659451842 420420521 /nfs/dbraw/zinc/42/05/21/420420521.db2.gz UWIMVDNJMAJSEH-WDEREUQCSA-N 2 2 258.366 -0.386 20 0 CBADLP C[NH2+]C[C@@H](C)NC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000659453587 420420710 /nfs/dbraw/zinc/42/07/10/420420710.db2.gz OFCLFULUXJPYHK-MNOVXSKESA-N 2 2 257.382 -0.861 20 0 CBADLP C[NH2+]C[C@@H](C)NC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000659453587 420420712 /nfs/dbraw/zinc/42/07/12/420420712.db2.gz OFCLFULUXJPYHK-MNOVXSKESA-N 2 2 257.382 -0.861 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659451024 420420884 /nfs/dbraw/zinc/42/08/84/420420884.db2.gz LNFBBKGOUACQLR-DCBWTQNWSA-N 2 2 282.388 -0.242 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659451024 420420887 /nfs/dbraw/zinc/42/08/87/420420887.db2.gz LNFBBKGOUACQLR-DCBWTQNWSA-N 2 2 282.388 -0.242 20 0 CBADLP C[NH+](C)CC(=O)NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000126808674 230171605 /nfs/dbraw/zinc/17/16/05/230171605.db2.gz WJUMUATYXFWHLJ-VXGBXAGGSA-N 2 2 255.362 -0.083 20 0 CBADLP C[NH+](C)CC(=O)NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000126808674 230171609 /nfs/dbraw/zinc/17/16/09/230171609.db2.gz WJUMUATYXFWHLJ-VXGBXAGGSA-N 2 2 255.362 -0.083 20 0 CBADLP O=C(C[C@H]1COCC[NH2+]1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659358159 420414638 /nfs/dbraw/zinc/41/46/38/420414638.db2.gz PWEYFNQUOHEWRK-STQMWFEESA-N 2 2 283.372 -0.702 20 0 CBADLP C[C@]1(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CC[NH2+]C1 ZINC000659357493 420414689 /nfs/dbraw/zinc/41/46/89/420414689.db2.gz JAETYEAICGYOAD-OCCSQVGLSA-N 2 2 267.373 -0.081 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](C(C)(C)CO)CC2)C1 ZINC000677647296 544980564 /nfs/dbraw/zinc/98/05/64/544980564.db2.gz SUSDFGVBSNHNFA-CYBMUJFWSA-N 2 2 299.415 -0.378 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](C(C)(C)CO)CC2)C1 ZINC000677647296 544980570 /nfs/dbraw/zinc/98/05/70/544980570.db2.gz SUSDFGVBSNHNFA-CYBMUJFWSA-N 2 2 299.415 -0.378 20 0 CBADLP CC(C)(C[NH3+])C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659359098 420415656 /nfs/dbraw/zinc/41/56/56/420415656.db2.gz WGFNTTYPIKTAOW-NSHDSACASA-N 2 2 255.362 -0.096 20 0 CBADLP CNC(=O)NCC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000677741532 544981666 /nfs/dbraw/zinc/98/16/66/544981666.db2.gz LKYWQIQTSCJBEW-NSHDSACASA-N 2 2 297.403 -0.800 20 0 CBADLP CNC(=O)NCC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000677741532 544981668 /nfs/dbraw/zinc/98/16/68/544981668.db2.gz LKYWQIQTSCJBEW-NSHDSACASA-N 2 2 297.403 -0.800 20 0 CBADLP C[NH+](C)CC(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000351677850 230233589 /nfs/dbraw/zinc/23/35/89/230233589.db2.gz YLPWIDFVGPYAPJ-ZDUSSCGKSA-N 2 2 285.388 -0.502 20 0 CBADLP [NH3+]CCNC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000659507763 420425643 /nfs/dbraw/zinc/42/56/43/420425643.db2.gz OBBBCHFPWSTPBN-UHFFFAOYSA-N 2 2 270.377 -0.301 20 0 CBADLP C[C@H]1COCCC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000678524325 545018600 /nfs/dbraw/zinc/01/86/00/545018600.db2.gz RRRNHLKDBZBWGN-LBPRGKRZSA-N 2 2 255.362 -0.129 20 0 CBADLP C[C@H]1COCCC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000678524325 545018603 /nfs/dbraw/zinc/01/86/03/545018603.db2.gz RRRNHLKDBZBWGN-LBPRGKRZSA-N 2 2 255.362 -0.129 20 0 CBADLP CC[N@@H+]1CCN(CC(=O)N2CC[NH+](C)CC2)C[C@@H]1C ZINC000678525247 545018618 /nfs/dbraw/zinc/01/86/18/545018618.db2.gz PKHJZTGVKMMMBJ-ZDUSSCGKSA-N 2 2 268.405 -0.214 20 0 CBADLP CC[N@H+]1CCN(CC(=O)N2CC[NH+](C)CC2)C[C@@H]1C ZINC000678525247 545018621 /nfs/dbraw/zinc/01/86/21/545018621.db2.gz PKHJZTGVKMMMBJ-ZDUSSCGKSA-N 2 2 268.405 -0.214 20 0 CBADLP O=C(N[C@@H]1CCC[NH2+]C1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659517889 420427045 /nfs/dbraw/zinc/42/70/45/420427045.db2.gz UNIARKYZTXTYGT-OLZOCXBDSA-N 2 2 282.388 -0.146 20 0 CBADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCc1nnnn1C ZINC000678547046 545019437 /nfs/dbraw/zinc/01/94/37/545019437.db2.gz OTBROFPWNGRXGF-MWLCHTKSSA-N 2 2 250.350 -0.175 20 0 CBADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCc1nnnn1C ZINC000678547046 545019438 /nfs/dbraw/zinc/01/94/38/545019438.db2.gz OTBROFPWNGRXGF-MWLCHTKSSA-N 2 2 250.350 -0.175 20 0 CBADLP C[NH+]1CCN(C(=O)CN2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000678630810 545020459 /nfs/dbraw/zinc/02/04/59/545020459.db2.gz VVCJKQCJNCXTCO-AWEZNQCLSA-N 2 2 296.415 -0.833 20 0 CBADLP O=C(NC[C@@H]1CCC[NH2+]1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659515109 420427531 /nfs/dbraw/zinc/42/75/31/420427531.db2.gz HTUIIVHBNGUVCJ-STQMWFEESA-N 2 2 282.388 -0.146 20 0 CBADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1nccn1C ZINC000678767437 545021366 /nfs/dbraw/zinc/02/13/66/545021366.db2.gz KBGOTHFWNTUAFU-LLVKDONJSA-N 2 2 265.361 -0.155 20 0 CBADLP [NH3+]C1(CNC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CCC1 ZINC000659530180 420430237 /nfs/dbraw/zinc/43/02/37/420430237.db2.gz OKEWXBCEHBFRTF-LBPRGKRZSA-N 2 2 282.388 -0.016 20 0 CBADLP CCNC(=O)CC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000679635713 545031057 /nfs/dbraw/zinc/03/10/57/545031057.db2.gz HOUDWIHYPVLCOE-LBPRGKRZSA-N 2 2 296.415 -0.203 20 0 CBADLP CCNC(=O)CC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000679635713 545031060 /nfs/dbraw/zinc/03/10/60/545031060.db2.gz HOUDWIHYPVLCOE-LBPRGKRZSA-N 2 2 296.415 -0.203 20 0 CBADLP [NH3+]C/C=C/CNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659544752 420431051 /nfs/dbraw/zinc/43/10/51/420431051.db2.gz WUGWFXIWYXGSHB-ISUDXETCSA-N 2 2 268.361 -0.383 20 0 CBADLP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000659547717 420432007 /nfs/dbraw/zinc/43/20/07/420432007.db2.gz MRVWNDWCBYZRLH-WUHRBBMRSA-N 2 2 280.372 -0.680 20 0 CBADLP COCC[N@@H+]1CC[C@@H]([NH2+]CCCN(C)S(C)(=O)=O)C1 ZINC000680337920 545037243 /nfs/dbraw/zinc/03/72/43/545037243.db2.gz YJRWMQLGSGMOKX-GFCCVEGCSA-N 2 2 293.433 -0.422 20 0 CBADLP COCC[N@H+]1CC[C@@H]([NH2+]CCCN(C)S(C)(=O)=O)C1 ZINC000680337920 545037245 /nfs/dbraw/zinc/03/72/45/545037245.db2.gz YJRWMQLGSGMOKX-GFCCVEGCSA-N 2 2 293.433 -0.422 20 0 CBADLP O=C(NC[C@H]1C[NH2+]CCO1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659555569 420433003 /nfs/dbraw/zinc/43/30/03/420433003.db2.gz ROPQLPIVYKWKMR-CHWSQXEVSA-N 2 2 298.387 -0.909 20 0 CBADLP C[C@@H](NC(=O)NC[C@@H]1C[NH2+]CCO1)c1[nH+]ccn1C ZINC000659555664 420433013 /nfs/dbraw/zinc/43/30/13/420433013.db2.gz SIEPAYQIIJQHOA-ZJUUUORDSA-N 2 2 267.333 -0.231 20 0 CBADLP C[C@@H](NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1)[C@H](C)[NH3+] ZINC000659552500 420433370 /nfs/dbraw/zinc/43/33/70/420433370.db2.gz ZGLLFXZLXLSXQG-TUAOUCFPSA-N 2 2 270.377 -0.162 20 0 CBADLP Cn1ncc(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1N ZINC000680494379 545039257 /nfs/dbraw/zinc/03/92/57/545039257.db2.gz RHKPMHLUYHWANT-UHFFFAOYSA-N 2 2 294.403 -0.242 20 0 CBADLP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000659752161 420468119 /nfs/dbraw/zinc/46/81/19/420468119.db2.gz LCHDGVPCDDJDOS-SNVBAGLBSA-N 2 2 293.371 -0.160 20 0 CBADLP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000659752161 420468122 /nfs/dbraw/zinc/46/81/22/420468122.db2.gz LCHDGVPCDDJDOS-SNVBAGLBSA-N 2 2 293.371 -0.160 20 0 CBADLP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000659751901 420468201 /nfs/dbraw/zinc/46/82/01/420468201.db2.gz XBOYTFSCCXEAJB-WDEREUQCSA-N 2 2 293.371 -0.160 20 0 CBADLP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000659751885 420468420 /nfs/dbraw/zinc/46/84/20/420468420.db2.gz XBOYTFSCCXEAJB-MNOVXSKESA-N 2 2 293.371 -0.160 20 0 CBADLP C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000659754076 420468636 /nfs/dbraw/zinc/46/86/36/420468636.db2.gz SCNDQTHIYCZBPZ-NSHDSACASA-N 2 2 281.360 -0.544 20 0 CBADLP O=C(NCC12CC(C1)C[NH2+]2)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659609959 420437630 /nfs/dbraw/zinc/43/76/30/420437630.db2.gz DYYGUKONVPRYEH-JVWICGRDSA-N 2 2 294.399 -0.146 20 0 CBADLP Cn1c(NCC(=O)N2CC[NH2+]CC2)[nH+]c2cccc(F)c21 ZINC000563659599 420438786 /nfs/dbraw/zinc/43/87/86/420438786.db2.gz AIHWUESAKNEPOV-UHFFFAOYSA-N 2 2 291.330 0.556 20 0 CBADLP C[C@H](CNC(=O)[C@@H](C)[C@H](C)[NH3+])[NH+]1CCN(C)CC1 ZINC000493952270 230341430 /nfs/dbraw/zinc/34/14/30/230341430.db2.gz JGBPCEWULUJWPZ-WOPDTQHZSA-N 2 2 256.394 -0.278 20 0 CBADLP C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000682532511 545057772 /nfs/dbraw/zinc/05/77/72/545057772.db2.gz ZEOCWAGWDVZAJD-FZMZJTMJSA-N 2 2 278.356 -0.372 20 0 CBADLP C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000682532511 545057774 /nfs/dbraw/zinc/05/77/74/545057774.db2.gz ZEOCWAGWDVZAJD-FZMZJTMJSA-N 2 2 278.356 -0.372 20 0 CBADLP C[NH2+]C[C@@H](C)NC(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000659640175 420441611 /nfs/dbraw/zinc/44/16/11/420441611.db2.gz FDKCIIZMSTZWRP-GFCCVEGCSA-N 2 2 294.403 -0.145 20 0 CBADLP C[NH2+]C[C@H](C)NC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000659636246 420442291 /nfs/dbraw/zinc/44/22/91/420442291.db2.gz VCMSDPBKPZLLBJ-RYUDHWBXSA-N 2 2 272.393 -0.044 20 0 CBADLP Cc1cc(NC(=O)CC[NH2+]C[C@H]2C[N@@H+](C)CCN2C)no1 ZINC000569595833 420451797 /nfs/dbraw/zinc/45/17/97/420451797.db2.gz QAMAUFNJLKPGQF-LBPRGKRZSA-N 2 2 295.387 0.147 20 0 CBADLP Cc1cc(NC(=O)CC[NH2+]C[C@H]2C[N@H+](C)CCN2C)no1 ZINC000569595833 420451800 /nfs/dbraw/zinc/45/18/00/420451800.db2.gz QAMAUFNJLKPGQF-LBPRGKRZSA-N 2 2 295.387 0.147 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659704123 420452588 /nfs/dbraw/zinc/45/25/88/420452588.db2.gz LAJJRUDDUROSCH-GMTAPVOTSA-N 2 2 297.334 -0.715 20 0 CBADLP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000659707003 420454533 /nfs/dbraw/zinc/45/45/33/420454533.db2.gz STGUSCJFOPIPHI-GFCCVEGCSA-N 2 2 295.387 -0.121 20 0 CBADLP Nc1ncc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)s1 ZINC000573578607 420458938 /nfs/dbraw/zinc/45/89/38/420458938.db2.gz SHHOKTXRAUULRI-APPZFPTMSA-N 2 2 267.358 -0.531 20 0 CBADLP Nc1ncc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)s1 ZINC000573578607 420458940 /nfs/dbraw/zinc/45/89/40/420458940.db2.gz SHHOKTXRAUULRI-APPZFPTMSA-N 2 2 267.358 -0.531 20 0 CBADLP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000659751371 420466993 /nfs/dbraw/zinc/46/69/93/420466993.db2.gz GWXSVMXYNQBVLO-MNOVXSKESA-N 2 2 293.371 -0.540 20 0 CBADLP COC(=O)[C@H]1C[NH2+]CCCN1Cc1cc[nH+]c(N)c1 ZINC000592486393 420482691 /nfs/dbraw/zinc/48/26/91/420482691.db2.gz BQVHCRJWSZPJNA-LLVKDONJSA-N 2 2 264.329 0.001 20 0 CBADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)[C@]1(CO)CCOC1 ZINC000660240025 420487290 /nfs/dbraw/zinc/48/72/90/420487290.db2.gz UTLFRCIGWBALMV-OLZOCXBDSA-N 2 2 260.378 -0.229 20 0 CBADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)[C@]1(CO)CCOC1 ZINC000660240025 420487291 /nfs/dbraw/zinc/48/72/91/420487291.db2.gz UTLFRCIGWBALMV-OLZOCXBDSA-N 2 2 260.378 -0.229 20 0 CBADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)[C@]1(CO)CCOC1 ZINC000660240025 420487293 /nfs/dbraw/zinc/48/72/93/420487293.db2.gz UTLFRCIGWBALMV-OLZOCXBDSA-N 2 2 260.378 -0.229 20 0 CBADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)[C@]1(CO)CCOC1 ZINC000660240025 420487294 /nfs/dbraw/zinc/48/72/94/420487294.db2.gz UTLFRCIGWBALMV-OLZOCXBDSA-N 2 2 260.378 -0.229 20 0 CBADLP CC[NH+]1CCN([C@@H]2CCN(c3nc(C)[nH+]c(N)n3)C2)CC1 ZINC000601113844 420492682 /nfs/dbraw/zinc/49/26/82/420492682.db2.gz RDFFOUWGGNHHAS-GFCCVEGCSA-N 2 2 291.403 -0.022 20 0 CBADLP NC(=O)c1cccc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c1 ZINC000517395441 260182761 /nfs/dbraw/zinc/18/27/61/260182761.db2.gz JALURSUGCVNHMS-OLZOCXBDSA-N 2 2 288.351 -0.471 20 0 CBADLP NC(=O)c1cccc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c1 ZINC000517395441 260182763 /nfs/dbraw/zinc/18/27/63/260182763.db2.gz JALURSUGCVNHMS-OLZOCXBDSA-N 2 2 288.351 -0.471 20 0 CBADLP CCS(=O)(=O)NCC[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000390215234 262157891 /nfs/dbraw/zinc/15/78/91/262157891.db2.gz YXDIJIYEJFUUGA-UHFFFAOYSA-N 2 2 289.405 -0.485 20 0 CBADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCC[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000518941569 265234762 /nfs/dbraw/zinc/23/47/62/265234762.db2.gz KJQHLRZFEZDMOF-MNOVXSKESA-N 3 2 255.366 -0.977 20 0 CBADLP C[N@H+]1CCN(C(=O)N[C@@H]2CCC[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000518941569 265234764 /nfs/dbraw/zinc/23/47/64/265234764.db2.gz KJQHLRZFEZDMOF-MNOVXSKESA-N 3 2 255.366 -0.977 20 0 CBADLP C[C@H](C[NH2+]C[C@H](O)C[N@H+](C)C1CC1)S(C)(=O)=O ZINC000518965445 265253089 /nfs/dbraw/zinc/25/30/89/265253089.db2.gz NBEMRBWHHZGMEB-KOLCDFICSA-N 2 2 264.391 -0.536 20 0 CBADLP C[C@H](C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1)S(C)(=O)=O ZINC000518965445 265253092 /nfs/dbraw/zinc/25/30/92/265253092.db2.gz NBEMRBWHHZGMEB-KOLCDFICSA-N 2 2 264.391 -0.536 20 0 CBADLP CCOC(=O)N1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000233690641 269577729 /nfs/dbraw/zinc/57/77/29/269577729.db2.gz QMDVHPMNZPDMEN-UHFFFAOYSA-N 2 2 270.377 -0.334 20 0 CBADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)NCC(=O)OC)C1 ZINC000173911837 276074850 /nfs/dbraw/zinc/07/48/50/276074850.db2.gz NZBGLSDSIIRTMS-NWDGAFQWSA-N 2 2 285.388 -0.062 20 0 CBADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)NCC(=O)OC)C1 ZINC000173911837 276074851 /nfs/dbraw/zinc/07/48/51/276074851.db2.gz NZBGLSDSIIRTMS-NWDGAFQWSA-N 2 2 285.388 -0.062 20 0 CBADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)NCC(=O)OC)C1 ZINC000173911837 276074853 /nfs/dbraw/zinc/07/48/53/276074853.db2.gz NZBGLSDSIIRTMS-NWDGAFQWSA-N 2 2 285.388 -0.062 20 0 CBADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)C(=O)NCC(=O)OC)C1 ZINC000173911837 276074854 /nfs/dbraw/zinc/07/48/54/276074854.db2.gz NZBGLSDSIIRTMS-NWDGAFQWSA-N 2 2 285.388 -0.062 20 0 CBADLP C[N@H+](C[C@H](O)C[NH+]1CC[C@@H](n2cncn2)C1)C1CC1 ZINC000685573211 545082190 /nfs/dbraw/zinc/08/21/90/545082190.db2.gz XARNPECZGXCOTE-OLZOCXBDSA-N 2 2 265.361 -0.020 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH+]1CC[C@@H](n2cncn2)C1)C1CC1 ZINC000685573211 545082191 /nfs/dbraw/zinc/08/21/91/545082191.db2.gz XARNPECZGXCOTE-OLZOCXBDSA-N 2 2 265.361 -0.020 20 0 CBADLP C[NH+](C[C@H](O)C[N@@H+]1CC[C@@H](n2cncn2)C1)C1CC1 ZINC000685573211 545082192 /nfs/dbraw/zinc/08/21/92/545082192.db2.gz XARNPECZGXCOTE-OLZOCXBDSA-N 2 2 265.361 -0.020 20 0 CBADLP C[NH+](C[C@H](O)C[N@H+]1CC[C@@H](n2cncn2)C1)C1CC1 ZINC000685573211 545082193 /nfs/dbraw/zinc/08/21/93/545082193.db2.gz XARNPECZGXCOTE-OLZOCXBDSA-N 2 2 265.361 -0.020 20 0 CBADLP C[N@H+](C[C@@H](O)C[NH+]1CC[C@H](n2cncn2)C1)C1CC1 ZINC000685573212 545082216 /nfs/dbraw/zinc/08/22/16/545082216.db2.gz XARNPECZGXCOTE-QWHCGFSZSA-N 2 2 265.361 -0.020 20 0 CBADLP C[N@@H+](C[C@@H](O)C[NH+]1CC[C@H](n2cncn2)C1)C1CC1 ZINC000685573212 545082217 /nfs/dbraw/zinc/08/22/17/545082217.db2.gz XARNPECZGXCOTE-QWHCGFSZSA-N 2 2 265.361 -0.020 20 0 CBADLP C[NH+](C[C@@H](O)C[N@@H+]1CC[C@H](n2cncn2)C1)C1CC1 ZINC000685573212 545082218 /nfs/dbraw/zinc/08/22/18/545082218.db2.gz XARNPECZGXCOTE-QWHCGFSZSA-N 2 2 265.361 -0.020 20 0 CBADLP C[NH+](C[C@@H](O)C[N@H+]1CC[C@H](n2cncn2)C1)C1CC1 ZINC000685573212 545082219 /nfs/dbraw/zinc/08/22/19/545082219.db2.gz XARNPECZGXCOTE-QWHCGFSZSA-N 2 2 265.361 -0.020 20 0 CBADLP CC(=O)N[C@@H]1CCCN(C(=O)C[NH2+][C@](C)(C[NH3+])C2CC2)C1 ZINC000430588805 277045003 /nfs/dbraw/zinc/04/50/03/277045003.db2.gz GAXVIUVISSJFQG-UKRRQHHQSA-N 2 2 296.415 -0.170 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC2)CC1 ZINC000367446162 277090430 /nfs/dbraw/zinc/09/04/30/277090430.db2.gz CBRHAWJXRQAOBT-DOMZBBRYSA-N 2 2 294.399 -0.593 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[NH2+][C@@H](c3cccnc3)C2)C1 ZINC000328663669 277126410 /nfs/dbraw/zinc/12/64/10/277126410.db2.gz YCMNZKXMIGOOMA-KGLIPLIRSA-N 2 2 290.367 -0.115 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N2CC[NH2+][C@@H](c3cccnc3)C2)C1 ZINC000328663669 277126411 /nfs/dbraw/zinc/12/64/11/277126411.db2.gz YCMNZKXMIGOOMA-KGLIPLIRSA-N 2 2 290.367 -0.115 20 0 CBADLP COC(=O)[C@H]1C[C@H](NC(=O)[C@H]2CCCC[NH2+]2)C[NH2+]1 ZINC000365552951 277138942 /nfs/dbraw/zinc/13/89/42/277138942.db2.gz AAOJEZBQMRXFFA-IVZWLZJFSA-N 2 2 255.318 -0.852 20 0 CBADLP COC1(C(=O)N[C@H](C)C[NH+]2CCOCC2)CC[NH2+]CC1 ZINC000165046041 277180609 /nfs/dbraw/zinc/18/06/09/277180609.db2.gz BILHKNMPAJEYGQ-GFCCVEGCSA-N 2 2 285.388 -0.408 20 0 CBADLP CO[C@@H]1C[NH+](CC(=O)N2CC[NH+](C)CC2)C[C@H]1OC ZINC000487999308 277299500 /nfs/dbraw/zinc/29/95/00/277299500.db2.gz LZBCURJEPHIECU-VXGBXAGGSA-N 2 2 271.361 -0.894 20 0 CBADLP COC(=O)CNC(=O)[C@H](C)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366544827 277323120 /nfs/dbraw/zinc/32/31/20/277323120.db2.gz NVHBIHMPJKOCSF-SMDDNHRTSA-N 2 2 283.372 -0.308 20 0 CBADLP COC(=O)CNC(=O)[C@H](C)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366544827 277323121 /nfs/dbraw/zinc/32/31/21/277323121.db2.gz NVHBIHMPJKOCSF-SMDDNHRTSA-N 2 2 283.372 -0.308 20 0 CBADLP COC(=O)CNC(=O)[C@H](C)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000366544827 277323122 /nfs/dbraw/zinc/32/31/22/277323122.db2.gz NVHBIHMPJKOCSF-SMDDNHRTSA-N 2 2 283.372 -0.308 20 0 CBADLP COC(=O)CNC(=O)[C@H](C)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000366544827 277323123 /nfs/dbraw/zinc/32/31/23/277323123.db2.gz NVHBIHMPJKOCSF-SMDDNHRTSA-N 2 2 283.372 -0.308 20 0 CBADLP CC(=O)N[C@@H]1CCCN(C(=O)C[NH2+][C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000424330404 278142691 /nfs/dbraw/zinc/14/26/91/278142691.db2.gz HUOYAYYHDCAZKA-MGPQQGTHSA-N 2 2 296.415 -0.027 20 0 CBADLP CC1(C)CCC[NH2+][C@@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000232795298 278220312 /nfs/dbraw/zinc/22/03/12/278220312.db2.gz QYVSEEGTJUWQRT-GFCCVEGCSA-N 2 2 269.389 -0.099 20 0 CBADLP C[C@H]1COCC[C@@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000336787923 278459508 /nfs/dbraw/zinc/45/95/08/278459508.db2.gz NGOXMMXFJBMYKT-RYUDHWBXSA-N 2 2 255.362 -0.225 20 0 CBADLP CC(C)([NH3+])CC(=O)N1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000378210668 278627077 /nfs/dbraw/zinc/62/70/77/278627077.db2.gz NKOMCWFWEGSWLM-GFCCVEGCSA-N 2 2 296.415 -0.073 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1CCCN(S(C)(=O)=O)C1 ZINC000358014332 288098590 /nfs/dbraw/zinc/09/85/90/288098590.db2.gz CKKLYEMVQJSGIF-GRYCIOLGSA-N 2 2 275.418 -0.050 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1CCCN(S(C)(=O)=O)C1 ZINC000358014332 288098595 /nfs/dbraw/zinc/09/85/95/288098595.db2.gz CKKLYEMVQJSGIF-GRYCIOLGSA-N 2 2 275.418 -0.050 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000496166842 279037584 /nfs/dbraw/zinc/03/75/84/279037584.db2.gz DPBBVHCGKYCYPK-WOPDTQHZSA-N 2 2 271.361 -0.271 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000496166842 279037586 /nfs/dbraw/zinc/03/75/86/279037586.db2.gz DPBBVHCGKYCYPK-WOPDTQHZSA-N 2 2 271.361 -0.271 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000496166842 279037589 /nfs/dbraw/zinc/03/75/89/279037589.db2.gz DPBBVHCGKYCYPK-WOPDTQHZSA-N 2 2 271.361 -0.271 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000496166842 279037590 /nfs/dbraw/zinc/03/75/90/279037590.db2.gz DPBBVHCGKYCYPK-WOPDTQHZSA-N 2 2 271.361 -0.271 20 0 CBADLP CC[NH+](CC)CC(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000377454708 279087005 /nfs/dbraw/zinc/08/70/05/279087005.db2.gz XOBQAPRGHZNHGP-UHFFFAOYSA-N 2 2 270.377 -0.652 20 0 CBADLP CC[NH+](CC)CC(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000377454708 279087007 /nfs/dbraw/zinc/08/70/07/279087007.db2.gz XOBQAPRGHZNHGP-UHFFFAOYSA-N 2 2 270.377 -0.652 20 0 CBADLP CC(C)C[C@H]([NH3+])C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000353186765 279175637 /nfs/dbraw/zinc/17/56/37/279175637.db2.gz RFUFACNJAVWYNM-NSHDSACASA-N 2 2 284.404 -0.232 20 0 CBADLP CC[N@H+](CCO)CCNC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000430271661 279208374 /nfs/dbraw/zinc/20/83/74/279208374.db2.gz YFHGJAADGVQJGI-LBPRGKRZSA-N 2 2 295.387 -0.189 20 0 CBADLP CC[N@@H+](CCO)CCNC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000430271661 279208375 /nfs/dbraw/zinc/20/83/75/279208375.db2.gz YFHGJAADGVQJGI-LBPRGKRZSA-N 2 2 295.387 -0.189 20 0 CBADLP CC[N@H+](CCO)CCNC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000367857157 279208448 /nfs/dbraw/zinc/20/84/48/279208448.db2.gz FTDDSSZROYBEBH-NSHDSACASA-N 2 2 295.387 -0.120 20 0 CBADLP CC[N@@H+](CCO)CCNC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000367857157 279208449 /nfs/dbraw/zinc/20/84/49/279208449.db2.gz FTDDSSZROYBEBH-NSHDSACASA-N 2 2 295.387 -0.120 20 0 CBADLP CC[N@H+](CCO)CCNC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000367857157 279208451 /nfs/dbraw/zinc/20/84/51/279208451.db2.gz FTDDSSZROYBEBH-NSHDSACASA-N 2 2 295.387 -0.120 20 0 CBADLP CC[N@@H+](CCO)CCNC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000367857157 279208453 /nfs/dbraw/zinc/20/84/53/279208453.db2.gz FTDDSSZROYBEBH-NSHDSACASA-N 2 2 295.387 -0.120 20 0 CBADLP Cn1cc(C[N@@H+]2CCC[C@@H]2C[NH3+])c(=O)n(C)c1=O ZINC000347025598 279335896 /nfs/dbraw/zinc/33/58/96/279335896.db2.gz SQTXLSBQKCVZGM-SNVBAGLBSA-N 2 2 252.318 -0.993 20 0 CBADLP Cn1cc(C[N@H+]2CCC[C@@H]2C[NH3+])c(=O)n(C)c1=O ZINC000347025598 279335898 /nfs/dbraw/zinc/33/58/98/279335898.db2.gz SQTXLSBQKCVZGM-SNVBAGLBSA-N 2 2 252.318 -0.993 20 0 CBADLP Cn1cc[nH+]c1CNC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000430896523 279374108 /nfs/dbraw/zinc/37/41/08/279374108.db2.gz YNFQXWIFDLVWKS-SNVBAGLBSA-N 2 2 252.318 -0.195 20 0 CBADLP CC(C)NC(=O)NC(=O)[C@H](C)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359315266 279589141 /nfs/dbraw/zinc/58/91/41/279589141.db2.gz WBTABDQQYKQOGG-DCAQKATOSA-N 2 2 268.361 -0.240 20 0 CBADLP CC(C)[C@@H]1CN(C[C@@H](O)C[NH+]2CCOCC2)CC[N@@H+]1C ZINC000487982441 280014403 /nfs/dbraw/zinc/01/44/03/280014403.db2.gz RJNFPACAFGWVNH-GJZGRUSLSA-N 2 2 285.432 -0.049 20 0 CBADLP CC(C)[C@@H]1CN(C[C@@H](O)C[NH+]2CCOCC2)CC[N@H+]1C ZINC000487982441 280014404 /nfs/dbraw/zinc/01/44/04/280014404.db2.gz RJNFPACAFGWVNH-GJZGRUSLSA-N 2 2 285.432 -0.049 20 0 CBADLP CC[C@@H](O)C[NH+]1CCN(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000180518057 280206870 /nfs/dbraw/zinc/20/68/70/280206870.db2.gz UOTPNWGBGGEHCB-CQSZACIVSA-N 2 2 298.431 -0.851 20 0 CBADLP CC[C@@]1(C(=O)N[C@@H]2C[NH2+][C@@H](C(=O)OC)C2)CCC[NH2+]1 ZINC000365753030 280634745 /nfs/dbraw/zinc/63/47/45/280634745.db2.gz KSMQNBALJCFBDS-CWSCBRNRSA-N 2 2 269.345 -0.462 20 0 CBADLP C[NH+](C)CC(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000171182945 282055248 /nfs/dbraw/zinc/05/52/48/282055248.db2.gz RVHSDDWVKWDCSP-UHFFFAOYSA-N 2 2 296.415 -0.295 20 0 CBADLP C[NH+](C)CC(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000171182945 282055257 /nfs/dbraw/zinc/05/52/57/282055257.db2.gz RVHSDDWVKWDCSP-UHFFFAOYSA-N 2 2 296.415 -0.295 20 0 CBADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1N1CC[NH+](C)CC1 ZINC000377081147 288526863 /nfs/dbraw/zinc/52/68/63/288526863.db2.gz UBRLFSWSQNIFML-ZIAGYGMSSA-N 2 2 268.405 -0.056 20 0 CBADLP C[NH+](C)C1CC[NH+](CCNC(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000430776886 289067464 /nfs/dbraw/zinc/06/74/64/289067464.db2.gz LGSGTBKVFBROSR-CQSZACIVSA-N 3 2 298.431 -0.493 20 0 CBADLP C[C@@]1(C[N@@H+]2CCC[C@H](S(N)(=O)=O)C2)CC[NH2+]C1 ZINC000261992915 289164665 /nfs/dbraw/zinc/16/46/65/289164665.db2.gz KLPSPZATKRVDRF-WDEREUQCSA-N 2 2 261.391 -0.261 20 0 CBADLP C[C@@]1(C[N@H+]2CCC[C@H](S(N)(=O)=O)C2)CC[NH2+]C1 ZINC000261992915 289164668 /nfs/dbraw/zinc/16/46/68/289164668.db2.gz KLPSPZATKRVDRF-WDEREUQCSA-N 2 2 261.391 -0.261 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000366472354 290102160 /nfs/dbraw/zinc/10/21/60/290102160.db2.gz GBMKTHIFVGFHFZ-STQMWFEESA-N 2 2 283.372 -0.750 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000366472354 290102163 /nfs/dbraw/zinc/10/21/63/290102163.db2.gz GBMKTHIFVGFHFZ-STQMWFEESA-N 2 2 283.372 -0.750 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000366472352 290102312 /nfs/dbraw/zinc/10/23/12/290102312.db2.gz GBMKTHIFVGFHFZ-OLZOCXBDSA-N 2 2 283.372 -0.750 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000366472352 290102315 /nfs/dbraw/zinc/10/23/15/290102315.db2.gz GBMKTHIFVGFHFZ-OLZOCXBDSA-N 2 2 283.372 -0.750 20 0 CBADLP C[N@@H+]1CC[C@@]2(CC[NH+](CCNS(C)(=O)=O)C2)C1 ZINC000368312796 290187488 /nfs/dbraw/zinc/18/74/88/290187488.db2.gz ARSALGVYCQEJPI-LLVKDONJSA-N 2 2 261.391 -0.437 20 0 CBADLP C[N@H+]1CC[C@@]2(CC[NH+](CCNS(C)(=O)=O)C2)C1 ZINC000368312796 290187491 /nfs/dbraw/zinc/18/74/91/290187491.db2.gz ARSALGVYCQEJPI-LLVKDONJSA-N 2 2 261.391 -0.437 20 0 CBADLP C[NH+]1CC[C@@]2(CC[N@H+](CCNS(C)(=O)=O)C2)C1 ZINC000368312796 290187494 /nfs/dbraw/zinc/18/74/94/290187494.db2.gz ARSALGVYCQEJPI-LLVKDONJSA-N 2 2 261.391 -0.437 20 0 CBADLP C[NH+]1CC[C@@]2(CC[N@@H+](CCNS(C)(=O)=O)C2)C1 ZINC000368312796 290187496 /nfs/dbraw/zinc/18/74/96/290187496.db2.gz ARSALGVYCQEJPI-LLVKDONJSA-N 2 2 261.391 -0.437 20 0 CBADLP CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000420357505 290499220 /nfs/dbraw/zinc/49/92/20/290499220.db2.gz DQXPJRMOHZFOTO-XFWSIPNHSA-N 2 2 256.350 -0.193 20 0 CBADLP Cn1cc(N2CC[C@H]([N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)C2=O)cn1 ZINC000359306567 294254767 /nfs/dbraw/zinc/25/47/67/294254767.db2.gz MPFPEFYXCCURHJ-LOWVWBTDSA-N 2 2 275.356 -0.323 20 0 CBADLP Cn1cc(N2CC[C@H]([N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)C2=O)cn1 ZINC000359306567 294254769 /nfs/dbraw/zinc/25/47/69/294254769.db2.gz MPFPEFYXCCURHJ-LOWVWBTDSA-N 2 2 275.356 -0.323 20 0 CBADLP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359313323 298038570 /nfs/dbraw/zinc/03/85/70/298038570.db2.gz VTAGSNIZIONROA-VOAKCMCISA-N 2 2 294.399 -0.750 20 0 CBADLP C[C@H](NC(=O)C[N@H+](C)[C@@H]1CCC[NH2+]CC1)C(=O)N(C)C ZINC000435621216 299048101 /nfs/dbraw/zinc/04/81/01/299048101.db2.gz JTFYYZUDLSJGRG-NWDGAFQWSA-N 2 2 284.404 -0.347 20 0 CBADLP C[C@H](NC(=O)C[N@@H+](C)[C@@H]1CCC[NH2+]CC1)C(=O)N(C)C ZINC000435621216 299048105 /nfs/dbraw/zinc/04/81/05/299048105.db2.gz JTFYYZUDLSJGRG-NWDGAFQWSA-N 2 2 284.404 -0.347 20 0 CBADLP [NH2+]=C(NO)[C@H]1CCCCN1C[C@H](O)C[NH+]1CCOCC1 ZINC000368526690 303220192 /nfs/dbraw/zinc/22/01/92/303220192.db2.gz UJKYDEROPUIMRB-VXGBXAGGSA-N 2 2 286.376 -0.510 20 0 CBADLP [NH3+]CCCC(=O)N1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000378212944 303374128 /nfs/dbraw/zinc/37/41/28/303374128.db2.gz XMKMTQUCXQWWAY-GFCCVEGCSA-N 2 2 282.388 -0.462 20 0 CBADLP [NH3+]CCOCC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000357068023 303383577 /nfs/dbraw/zinc/38/35/77/303383577.db2.gz FNWMOIKTPYYBDB-ZDUSSCGKSA-N 3 2 257.378 -0.384 20 0 CBADLP [NH3+]CCOCC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000357068023 303383579 /nfs/dbraw/zinc/38/35/79/303383579.db2.gz FNWMOIKTPYYBDB-ZDUSSCGKSA-N 3 2 257.378 -0.384 20 0 CBADLP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000333901660 303926120 /nfs/dbraw/zinc/92/61/20/303926120.db2.gz ZXOIMJSRWPYBEN-IGQOVBAYSA-N 2 2 294.399 -0.290 20 0 CBADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@@H]2CCC(=O)N[C@@H]2C)C[C@@H](C)O1 ZINC000570938138 327637474 /nfs/dbraw/zinc/63/74/74/327637474.db2.gz GURJFOSSDRIVSR-DHGKCCLASA-N 2 2 299.415 -0.287 20 0 CBADLP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000563145561 327929782 /nfs/dbraw/zinc/92/97/82/327929782.db2.gz YOHCUKQGMMAXQC-QWRGUYRKSA-N 2 2 282.388 -0.465 20 0 CBADLP C[C@@H]1C[N@@H+]([C@@H]2CC(=O)NC2=O)CC[C@H]1N1CC[NH+](C)CC1 ZINC000563348092 328056551 /nfs/dbraw/zinc/05/65/51/328056551.db2.gz HPWNPTGQCDXTKV-JHJVBQTASA-N 2 2 294.399 -0.641 20 0 CBADLP C[C@@H]1C[N@H+]([C@@H]2CC(=O)NC2=O)CC[C@H]1N1CC[NH+](C)CC1 ZINC000563348092 328056553 /nfs/dbraw/zinc/05/65/53/328056553.db2.gz HPWNPTGQCDXTKV-JHJVBQTASA-N 2 2 294.399 -0.641 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)C1CCN(OC)CC1 ZINC000563368203 328059710 /nfs/dbraw/zinc/05/97/10/328059710.db2.gz TVFFEWOOVNYSJA-CQSZACIVSA-N 2 2 289.420 -0.117 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)C1CCN(OC)CC1 ZINC000563368203 328059711 /nfs/dbraw/zinc/05/97/11/328059711.db2.gz TVFFEWOOVNYSJA-CQSZACIVSA-N 2 2 289.420 -0.117 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)C1CCN(OC)CC1 ZINC000563368203 328059713 /nfs/dbraw/zinc/05/97/13/328059713.db2.gz TVFFEWOOVNYSJA-CQSZACIVSA-N 2 2 289.420 -0.117 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)C1CCN(OC)CC1 ZINC000563368203 328059715 /nfs/dbraw/zinc/05/97/15/328059715.db2.gz TVFFEWOOVNYSJA-CQSZACIVSA-N 2 2 289.420 -0.117 20 0 CBADLP C[N@@H+]1CCN(C(=O)N[C@@H]2C[C@@H]3OCCC[C@H]23)[C@@H](C[NH3+])C1 ZINC000563595375 328076111 /nfs/dbraw/zinc/07/61/11/328076111.db2.gz DEWZRBWQHHYMGC-LOWDOPEQSA-N 2 2 282.388 -0.162 20 0 CBADLP C[N@H+]1CCN(C(=O)N[C@@H]2C[C@@H]3OCCC[C@H]23)[C@@H](C[NH3+])C1 ZINC000563595375 328076113 /nfs/dbraw/zinc/07/61/13/328076113.db2.gz DEWZRBWQHHYMGC-LOWDOPEQSA-N 2 2 282.388 -0.162 20 0 CBADLP C[C@@H](C(=O)NC[C@@H]1C[N@H+](C)CCO1)[NH+]1CC(C)C1 ZINC000571102056 328086611 /nfs/dbraw/zinc/08/66/11/328086611.db2.gz DOOJCBPYFSROFN-NWDGAFQWSA-N 2 2 255.362 -0.227 20 0 CBADLP C[C@@H](C(=O)NC[C@@H]1C[N@@H+](C)CCO1)[NH+]1CC(C)C1 ZINC000571102056 328086612 /nfs/dbraw/zinc/08/66/12/328086612.db2.gz DOOJCBPYFSROFN-NWDGAFQWSA-N 2 2 255.362 -0.227 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000571162930 328089443 /nfs/dbraw/zinc/08/94/43/328089443.db2.gz OILWPMGRKFGHDS-VXGBXAGGSA-N 2 2 284.404 -0.362 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000571162930 328089444 /nfs/dbraw/zinc/08/94/44/328089444.db2.gz OILWPMGRKFGHDS-VXGBXAGGSA-N 2 2 284.404 -0.362 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1cn[nH]c1 ZINC000571222409 328092977 /nfs/dbraw/zinc/09/29/77/328092977.db2.gz MYPHVNLODLHDKO-CMPLNLGQSA-N 2 2 256.350 -0.001 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1cn[nH]c1 ZINC000571222409 328092978 /nfs/dbraw/zinc/09/29/78/328092978.db2.gz MYPHVNLODLHDKO-CMPLNLGQSA-N 2 2 256.350 -0.001 20 0 CBADLP CCCN1CCC[N@H+](C[C@](C)(O)C[NH2+]C)CC1=O ZINC000572370291 330009936 /nfs/dbraw/zinc/00/99/36/330009936.db2.gz KWXRUOHABAOQIO-CYBMUJFWSA-N 2 2 257.378 -0.099 20 0 CBADLP CCCN1CCC[N@@H+](C[C@](C)(O)C[NH2+]C)CC1=O ZINC000572370291 330009938 /nfs/dbraw/zinc/00/99/38/330009938.db2.gz KWXRUOHABAOQIO-CYBMUJFWSA-N 2 2 257.378 -0.099 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000565724608 327000089 /nfs/dbraw/zinc/00/00/89/327000089.db2.gz PHUNMLGQPBUJSL-QWHCGFSZSA-N 2 2 269.389 -0.004 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](N2CCCC2=O)C1 ZINC000565724608 327000086 /nfs/dbraw/zinc/00/00/86/327000086.db2.gz PHUNMLGQPBUJSL-QWHCGFSZSA-N 2 2 269.389 -0.004 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](N2CCCC2=O)C1 ZINC000565724608 327000087 /nfs/dbraw/zinc/00/00/87/327000087.db2.gz PHUNMLGQPBUJSL-QWHCGFSZSA-N 2 2 269.389 -0.004 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000565724608 327000090 /nfs/dbraw/zinc/00/00/90/327000090.db2.gz PHUNMLGQPBUJSL-QWHCGFSZSA-N 2 2 269.389 -0.004 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](N2CCCC2=O)C1 ZINC000565724609 327000132 /nfs/dbraw/zinc/00/01/32/327000132.db2.gz PHUNMLGQPBUJSL-STQMWFEESA-N 2 2 269.389 -0.004 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](N2CCCC2=O)C1 ZINC000565724609 327000133 /nfs/dbraw/zinc/00/01/33/327000133.db2.gz PHUNMLGQPBUJSL-STQMWFEESA-N 2 2 269.389 -0.004 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000565724609 327000134 /nfs/dbraw/zinc/00/01/34/327000134.db2.gz PHUNMLGQPBUJSL-STQMWFEESA-N 2 2 269.389 -0.004 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000565724609 327000136 /nfs/dbraw/zinc/00/01/36/327000136.db2.gz PHUNMLGQPBUJSL-STQMWFEESA-N 2 2 269.389 -0.004 20 0 CBADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CCNC(=O)C2CC2)C[C@@H](C)O1 ZINC000564846575 327010839 /nfs/dbraw/zinc/01/08/39/327010839.db2.gz PVYVWKVLFFQHRA-BZPMIXESSA-N 2 2 299.415 -0.428 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1C(=O)NCC[C@H]1C ZINC000584180325 327060541 /nfs/dbraw/zinc/06/05/41/327060541.db2.gz JFTAGMWGRGRZKW-UTUOFQBUSA-N 2 2 273.377 -0.960 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1C(=O)NCC[C@H]1C ZINC000584180325 327060542 /nfs/dbraw/zinc/06/05/42/327060542.db2.gz JFTAGMWGRGRZKW-UTUOFQBUSA-N 2 2 273.377 -0.960 20 0 CBADLP CO[C@H](C[NH3+])C(=O)N(CC1CC1)C[C@@H]1C[N@H+](C)CCO1 ZINC000576986803 327073910 /nfs/dbraw/zinc/07/39/10/327073910.db2.gz XNNJBRCHFITKQE-QWHCGFSZSA-N 2 2 285.388 -0.471 20 0 CBADLP CO[C@H](C[NH3+])C(=O)N(CC1CC1)C[C@@H]1C[N@@H+](C)CCO1 ZINC000576986803 327073912 /nfs/dbraw/zinc/07/39/12/327073912.db2.gz XNNJBRCHFITKQE-QWHCGFSZSA-N 2 2 285.388 -0.471 20 0 CBADLP CO[C@@H](C[NH3+])C(=O)N(CC1CC1)C[C@H]1C[N@H+](C)CCO1 ZINC000576986801 327073977 /nfs/dbraw/zinc/07/39/77/327073977.db2.gz XNNJBRCHFITKQE-OLZOCXBDSA-N 2 2 285.388 -0.471 20 0 CBADLP CO[C@@H](C[NH3+])C(=O)N(CC1CC1)C[C@H]1C[N@@H+](C)CCO1 ZINC000576986801 327073978 /nfs/dbraw/zinc/07/39/78/327073978.db2.gz XNNJBRCHFITKQE-OLZOCXBDSA-N 2 2 285.388 -0.471 20 0 CBADLP COC(=O)CCNC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000581311152 327079526 /nfs/dbraw/zinc/07/95/26/327079526.db2.gz IYKPEIIOXQUSTQ-QWRGUYRKSA-N 2 2 269.345 -0.793 20 0 CBADLP COC(=O)CCNC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000581311152 327079528 /nfs/dbraw/zinc/07/95/28/327079528.db2.gz IYKPEIIOXQUSTQ-QWRGUYRKSA-N 2 2 269.345 -0.793 20 0 CBADLP CO[C@H](C[NH3+])C(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000564448853 327089392 /nfs/dbraw/zinc/08/93/92/327089392.db2.gz SZKPMHKWBLCPNW-CYBMUJFWSA-N 2 2 295.387 -0.572 20 0 CBADLP CO[C@H](C[NH3+])C(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000564448853 327089394 /nfs/dbraw/zinc/08/93/94/327089394.db2.gz SZKPMHKWBLCPNW-CYBMUJFWSA-N 2 2 295.387 -0.572 20 0 CBADLP COC[C@H](O)C[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000569340303 327098533 /nfs/dbraw/zinc/09/85/33/327098533.db2.gz GRVWXKFRWOMNAV-FVCCEPFGSA-N 2 2 276.377 -0.947 20 0 CBADLP CSC[C@H](O)C[NH2+]C1CC[NH+](CC(=O)N(C)C)CC1 ZINC000566115113 327139589 /nfs/dbraw/zinc/13/95/89/327139589.db2.gz BZKCPUMOIARYCN-GFCCVEGCSA-N 2 2 289.445 -0.148 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NCC1([NH3+])CCC1 ZINC000566188125 327160704 /nfs/dbraw/zinc/16/07/04/327160704.db2.gz QXDPMHSDSPRYEM-UHFFFAOYSA-N 2 2 270.377 -0.560 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NCC1([NH3+])CCC1 ZINC000566188125 327160705 /nfs/dbraw/zinc/16/07/05/327160705.db2.gz QXDPMHSDSPRYEM-UHFFFAOYSA-N 2 2 270.377 -0.560 20 0 CBADLP COCCCNC(=O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000569589088 327201468 /nfs/dbraw/zinc/20/14/68/327201468.db2.gz WUPKPUDXUUGCGL-UHFFFAOYSA-N 2 2 281.360 -0.316 20 0 CBADLP C[C@H]1[NH2+]CC[C@@H]1C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000569607635 327209624 /nfs/dbraw/zinc/20/96/24/327209624.db2.gz SQGUYOVXRAVGGG-UTUOFQBUSA-N 2 2 255.362 -0.179 20 0 CBADLP C[C@H]1[NH2+]CC[C@@H]1C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000569607635 327209625 /nfs/dbraw/zinc/20/96/25/327209625.db2.gz SQGUYOVXRAVGGG-UTUOFQBUSA-N 2 2 255.362 -0.179 20 0 CBADLP CC[NH+](CC)[C@H](C)CNC[C@@H](O)C[NH+]1CCN(C)CC1 ZINC000584286632 327218435 /nfs/dbraw/zinc/21/84/35/327218435.db2.gz AHMORNLHKDLWMG-HUUCEWRRSA-N 2 2 286.464 -0.085 20 0 CBADLP CC[NH+](CC)[C@H](C)CNC[C@@H](O)CN1CC[NH+](C)CC1 ZINC000584286632 327218437 /nfs/dbraw/zinc/21/84/37/327218437.db2.gz AHMORNLHKDLWMG-HUUCEWRRSA-N 2 2 286.464 -0.085 20 0 CBADLP CC(=O)N1CCC[C@H]1C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000577373914 327259111 /nfs/dbraw/zinc/25/91/11/327259111.db2.gz XRYIFTRMVUQREO-RYUDHWBXSA-N 2 2 268.361 -0.901 20 0 CBADLP CC(=O)N1CCC[C@H]1C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000577373914 327259113 /nfs/dbraw/zinc/25/91/13/327259113.db2.gz XRYIFTRMVUQREO-RYUDHWBXSA-N 2 2 268.361 -0.901 20 0 CBADLP C[N@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000574032012 327282619 /nfs/dbraw/zinc/28/26/19/327282619.db2.gz OAFGBSVQMHTPQO-UTUOFQBUSA-N 2 2 275.356 -0.144 20 0 CBADLP C[N@@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000574032012 327282620 /nfs/dbraw/zinc/28/26/20/327282620.db2.gz OAFGBSVQMHTPQO-UTUOFQBUSA-N 2 2 275.356 -0.144 20 0 CBADLP CC[NH+]1CCC(NC(=O)C[N@H+](C)[C@@H]2COC[C@H]2O)CC1 ZINC000560491929 327314554 /nfs/dbraw/zinc/31/45/54/327314554.db2.gz UYIKCMPGLUWOAM-CHWSQXEVSA-N 2 2 285.388 -0.722 20 0 CBADLP CC[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@H]2COC[C@H]2O)CC1 ZINC000560491929 327314556 /nfs/dbraw/zinc/31/45/56/327314556.db2.gz UYIKCMPGLUWOAM-CHWSQXEVSA-N 2 2 285.388 -0.722 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](c2nnc[nH]2)C1 ZINC000583389803 327339577 /nfs/dbraw/zinc/33/95/77/327339577.db2.gz XLALNMVKHKIJOR-WDEREUQCSA-N 2 2 253.350 -0.093 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](c2nnc[nH]2)C1 ZINC000583389803 327339579 /nfs/dbraw/zinc/33/95/79/327339579.db2.gz XLALNMVKHKIJOR-WDEREUQCSA-N 2 2 253.350 -0.093 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000583389803 327339581 /nfs/dbraw/zinc/33/95/81/327339581.db2.gz XLALNMVKHKIJOR-WDEREUQCSA-N 2 2 253.350 -0.093 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000583389803 327339582 /nfs/dbraw/zinc/33/95/82/327339582.db2.gz XLALNMVKHKIJOR-WDEREUQCSA-N 2 2 253.350 -0.093 20 0 CBADLP CC(C)[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H]1CCC(=O)N1 ZINC000560756852 327341399 /nfs/dbraw/zinc/34/13/99/327341399.db2.gz JADSKLHMMGHENT-ZDUSSCGKSA-N 2 2 296.415 -0.251 20 0 CBADLP CC(C)[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H]1CCC(=O)N1 ZINC000560756852 327341401 /nfs/dbraw/zinc/34/14/01/327341401.db2.gz JADSKLHMMGHENT-ZDUSSCGKSA-N 2 2 296.415 -0.251 20 0 CBADLP CO[C@@H](C)CCNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000561155964 327369921 /nfs/dbraw/zinc/36/99/21/327369921.db2.gz LJKMLHMUXCVICQ-WDEREUQCSA-N 2 2 258.366 -0.304 20 0 CBADLP CO[C@@H](C)CCNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000561155964 327369922 /nfs/dbraw/zinc/36/99/22/327369922.db2.gz LJKMLHMUXCVICQ-WDEREUQCSA-N 2 2 258.366 -0.304 20 0 CBADLP C[C@@H](C(=O)NC[C@@H]1C[N@H+](C)CCN1C)[NH+]1CC(C)C1 ZINC000561223565 327377078 /nfs/dbraw/zinc/37/70/78/327377078.db2.gz AEEPCFQSIMXQSJ-QWHCGFSZSA-N 2 2 268.405 -0.311 20 0 CBADLP C[C@@H](C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)[NH+]1CC(C)C1 ZINC000561223565 327377079 /nfs/dbraw/zinc/37/70/79/327377079.db2.gz AEEPCFQSIMXQSJ-QWHCGFSZSA-N 2 2 268.405 -0.311 20 0 CBADLP Cc1[nH+]cc(C[NH2+]CC(=O)N2CCOCC2)n1C ZINC000566496328 327399800 /nfs/dbraw/zinc/39/98/00/327399800.db2.gz FUGNQNVDBILHST-UHFFFAOYSA-N 2 2 252.318 -0.323 20 0 CBADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CC2(CC(N)=O)CC2)C[C@@H](C)O1 ZINC000564724176 327430888 /nfs/dbraw/zinc/43/08/88/327430888.db2.gz XSBKUHSYYZHQIH-UPJWGTAASA-N 2 2 299.415 -0.298 20 0 CBADLP CC[C@@H]1CN(C(=O)[C@@H](C[NH3+])OC)C[C@@H]1[NH+]1CCOCC1 ZINC000564564172 327527533 /nfs/dbraw/zinc/52/75/33/327527533.db2.gz MWPGDPHIFADGHC-FRRDWIJNSA-N 2 2 285.388 -0.471 20 0 CBADLP Cn1cc[nH+]c1CN1CCN(C(=O)C2(C)C[NH2+]C2)CC1 ZINC000562961973 327532013 /nfs/dbraw/zinc/53/20/13/327532013.db2.gz LYQWFJBBNRSOMN-UHFFFAOYSA-N 2 2 277.372 -0.326 20 0 CBADLP C[NH+](C)CCCN1C(=O)C[C@@H]([NH2+]Cc2ccncn2)C1=O ZINC000570103844 327569512 /nfs/dbraw/zinc/56/95/12/327569512.db2.gz CLXHBLXCSJNYIC-GFCCVEGCSA-N 2 2 291.355 -0.355 20 0 CBADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@@H]1CCN(S(C)(=O)=O)C1 ZINC000563892200 328645300 /nfs/dbraw/zinc/64/53/00/328645300.db2.gz YOCPCUCVEXOSQA-GMTAPVOTSA-N 2 2 261.391 -0.392 20 0 CBADLP CO[C@H]1C[NH2+][C@@H](C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000583633719 328723452 /nfs/dbraw/zinc/72/34/52/328723452.db2.gz STKMIHCYTVUZQQ-FDYHWXHSSA-N 2 2 285.388 -0.411 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH2+]CC(=O)NCC1CC1)C1CC1 ZINC000393071823 329066735 /nfs/dbraw/zinc/06/67/35/329066735.db2.gz MSKSPOAKPNWFCB-GFCCVEGCSA-N 2 2 255.362 -0.443 20 0 CBADLP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)C1 ZINC000582485349 329096401 /nfs/dbraw/zinc/09/64/01/329096401.db2.gz HFGHTIJELYPFKH-QNWHQSFQSA-N 2 2 283.372 -0.705 20 0 CBADLP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)C1 ZINC000582485349 329096402 /nfs/dbraw/zinc/09/64/02/329096402.db2.gz HFGHTIJELYPFKH-QNWHQSFQSA-N 2 2 283.372 -0.705 20 0 CBADLP C[C@@H]1C[N@H+](CCN2C[C@H](O)[C@@H]([NH+](C)C)C2)CCO1 ZINC000584359278 329103984 /nfs/dbraw/zinc/10/39/84/329103984.db2.gz XAUHCNZBPRITNQ-AGIUHOORSA-N 2 2 257.378 -0.686 20 0 CBADLP C[C@@H]1C[N@@H+](CCN2C[C@H](O)[C@@H]([NH+](C)C)C2)CCO1 ZINC000584359278 329103985 /nfs/dbraw/zinc/10/39/85/329103985.db2.gz XAUHCNZBPRITNQ-AGIUHOORSA-N 2 2 257.378 -0.686 20 0 CBADLP COC[C@@]1(C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)CC[NH2+]C1 ZINC000582548705 329105671 /nfs/dbraw/zinc/10/56/71/329105671.db2.gz UIACCYPVXWIKCY-GXTWGEPZSA-N 2 2 285.388 -0.551 20 0 CBADLP COC[C@@]1(C(=O)NCC[N@H+]2CCO[C@@H](C)C2)CC[NH2+]C1 ZINC000582548705 329105673 /nfs/dbraw/zinc/10/56/73/329105673.db2.gz UIACCYPVXWIKCY-GXTWGEPZSA-N 2 2 285.388 -0.551 20 0 CBADLP C[NH2+][C@H]1CC[N@H+](CCC(=O)N(C)CC(=O)OC)C1 ZINC000582846560 329279130 /nfs/dbraw/zinc/27/91/30/329279130.db2.gz VRABFXYRBMYGJU-JTQLQIEISA-N 2 2 257.334 -0.698 20 0 CBADLP C[NH2+][C@H]1CC[N@@H+](CCC(=O)N(C)CC(=O)OC)C1 ZINC000582846560 329279132 /nfs/dbraw/zinc/27/91/32/329279132.db2.gz VRABFXYRBMYGJU-JTQLQIEISA-N 2 2 257.334 -0.698 20 0 CBADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC[C@H](O)C[NH+]1CCOCC1 ZINC000582840624 329276825 /nfs/dbraw/zinc/27/68/25/329276825.db2.gz DNADXUVKQKQYMM-VHDGCEQUSA-N 2 2 283.416 -0.248 20 0 CBADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC[C@H](O)C[NH+]1CCOCC1 ZINC000582840624 329276826 /nfs/dbraw/zinc/27/68/26/329276826.db2.gz DNADXUVKQKQYMM-VHDGCEQUSA-N 2 2 283.416 -0.248 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](n2ccnn2)C1 ZINC000582973436 329297138 /nfs/dbraw/zinc/29/71/38/329297138.db2.gz ZBJSGDNCNJSMGM-KGLIPLIRSA-N 2 2 297.403 -0.146 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](n2ccnn2)C1 ZINC000582973436 329297139 /nfs/dbraw/zinc/29/71/39/329297139.db2.gz ZBJSGDNCNJSMGM-KGLIPLIRSA-N 2 2 297.403 -0.146 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000582973436 329297141 /nfs/dbraw/zinc/29/71/41/329297141.db2.gz ZBJSGDNCNJSMGM-KGLIPLIRSA-N 2 2 297.403 -0.146 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000582973436 329297143 /nfs/dbraw/zinc/29/71/43/329297143.db2.gz ZBJSGDNCNJSMGM-KGLIPLIRSA-N 2 2 297.403 -0.146 20 0 CBADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@H]2CC[C@H]2C(N)=O)CC1 ZINC000575328102 335094648 /nfs/dbraw/zinc/09/46/48/335094648.db2.gz KVMHXQMNFRXPKT-OLZOCXBDSA-N 2 2 296.415 -0.360 20 0 CBADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]C[C@H]2COCCO2)C[C@H](C)O1 ZINC000575740920 335110663 /nfs/dbraw/zinc/11/06/63/335110663.db2.gz GOPHQJKISWKGSA-RQJABVFESA-N 2 2 288.388 -0.539 20 0 CBADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]C[C@H]2COCCO2)C[C@H](C)O1 ZINC000575740920 335110664 /nfs/dbraw/zinc/11/06/64/335110664.db2.gz GOPHQJKISWKGSA-RQJABVFESA-N 2 2 288.388 -0.539 20 0 CBADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]C[C@@H]2COCCO2)C[C@@H](C)O1 ZINC000575740919 335110677 /nfs/dbraw/zinc/11/06/77/335110677.db2.gz GOPHQJKISWKGSA-AAVRWANBSA-N 2 2 288.388 -0.539 20 0 CBADLP O=C(c1ccco1)N1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000572524366 333185118 /nfs/dbraw/zinc/18/51/18/333185118.db2.gz HSPBAINPGUNOJN-UHFFFAOYSA-N 2 2 292.383 -0.057 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)[C@@H]2CCCC[NH2+]2)CCO1 ZINC000576043202 335144932 /nfs/dbraw/zinc/14/49/32/335144932.db2.gz GWBJFNXDFBYPOS-RYUDHWBXSA-N 2 2 255.362 -0.035 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)[C@@H]2CCCC[NH2+]2)CCO1 ZINC000576043202 335144933 /nfs/dbraw/zinc/14/49/33/335144933.db2.gz GWBJFNXDFBYPOS-RYUDHWBXSA-N 2 2 255.362 -0.035 20 0 CBADLP CC[NH+](CC)C[C@@H](C)NC[C@H](O)C[NH+]1CCN(C)CC1 ZINC000576220065 335172477 /nfs/dbraw/zinc/17/24/77/335172477.db2.gz BRYZDSNVPWBRIL-CABCVRRESA-N 2 2 286.464 -0.085 20 0 CBADLP CC[NH+](CC)C[C@@H](C)NC[C@H](O)CN1CC[NH+](C)CC1 ZINC000576220065 335172478 /nfs/dbraw/zinc/17/24/78/335172478.db2.gz BRYZDSNVPWBRIL-CABCVRRESA-N 2 2 286.464 -0.085 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)CCNC(=O)N(C)C ZINC000564344727 334148295 /nfs/dbraw/zinc/14/82/95/334148295.db2.gz VUWQLROSNZGPKI-GFCCVEGCSA-N 2 2 290.408 -0.872 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)CCNC(=O)N(C)C ZINC000564344727 334148296 /nfs/dbraw/zinc/14/82/96/334148296.db2.gz VUWQLROSNZGPKI-GFCCVEGCSA-N 2 2 290.408 -0.872 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)CCNC(=O)N(C)C ZINC000564344727 334148298 /nfs/dbraw/zinc/14/82/98/334148298.db2.gz VUWQLROSNZGPKI-GFCCVEGCSA-N 2 2 290.408 -0.872 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)CCCC[NH+](C)C)CC1 ZINC000564356947 334174062 /nfs/dbraw/zinc/17/40/62/334174062.db2.gz LOZOOTSVLATEBQ-UHFFFAOYSA-N 2 2 298.431 -0.001 20 0 CBADLP COCC(COC)[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000567104094 334681188 /nfs/dbraw/zinc/68/11/88/334681188.db2.gz FXUCNSHSEWIXRX-BZPMIXESSA-N 2 2 290.404 -0.293 20 0 CBADLP Cn1cc[nH+]c1CN1CCN(C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000568289423 334812859 /nfs/dbraw/zinc/81/28/59/334812859.db2.gz ZSNSENPVCNLJOL-LBPRGKRZSA-N 2 2 292.387 -0.391 20 0 CBADLP C([C@H]1CCC[NH2+]C1)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000572643090 334868734 /nfs/dbraw/zinc/86/87/34/334868734.db2.gz IVJXTFJGPAELMC-KBPBESRZSA-N 3 2 252.406 -0.035 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)[C@]1(C)CCC[NH2+]1 ZINC000572843075 334883188 /nfs/dbraw/zinc/88/31/88/334883188.db2.gz KQACZPNTLAOGJY-ZDUSSCGKSA-N 2 2 255.362 -0.081 20 0 CBADLP CC(C)(CCC[NH3+])NC(=O)CN1CC[NH2+]CC1=O ZINC000576281023 335182284 /nfs/dbraw/zinc/18/22/84/335182284.db2.gz QLGQRMTYWDGDBF-UHFFFAOYSA-N 2 2 256.350 -0.948 20 0 CBADLP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@@]12CCNC2=O)C1CC1 ZINC000576289774 335184288 /nfs/dbraw/zinc/18/42/88/335184288.db2.gz PHBYVFBAWSDSNA-OCCSQVGLSA-N 2 2 267.373 -0.204 20 0 CBADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@@]12CCNC2=O)C1CC1 ZINC000576289774 335184290 /nfs/dbraw/zinc/18/42/90/335184290.db2.gz PHBYVFBAWSDSNA-OCCSQVGLSA-N 2 2 267.373 -0.204 20 0 CBADLP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@@]12CCNC2=O)C1CC1 ZINC000576289774 335184291 /nfs/dbraw/zinc/18/42/91/335184291.db2.gz PHBYVFBAWSDSNA-OCCSQVGLSA-N 2 2 267.373 -0.204 20 0 CBADLP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@@]12CCNC2=O)C1CC1 ZINC000576289774 335184292 /nfs/dbraw/zinc/18/42/92/335184292.db2.gz PHBYVFBAWSDSNA-OCCSQVGLSA-N 2 2 267.373 -0.204 20 0 CBADLP CNC(=O)C[C@H](C)[NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000576391708 335197477 /nfs/dbraw/zinc/19/74/77/335197477.db2.gz VYZNTWUBEHBNMI-CYDGBPFRSA-N 2 2 287.404 -0.429 20 0 CBADLP C[NH2+]C[C@H](O)C[NH2+]CCS(=O)(=O)c1ccccc1 ZINC000576466714 335207784 /nfs/dbraw/zinc/20/77/84/335207784.db2.gz WSBRQOJLBIHQHD-NSHDSACASA-N 2 2 272.370 -0.370 20 0 CBADLP COCC[C@H](CO)[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000576517744 335213814 /nfs/dbraw/zinc/21/38/14/335213814.db2.gz OYBDCMHVJBQFJN-RQJABVFESA-N 2 2 290.404 -0.557 20 0 CBADLP COCC[C@H](CO)[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000576517744 335213816 /nfs/dbraw/zinc/21/38/16/335213816.db2.gz OYBDCMHVJBQFJN-RQJABVFESA-N 2 2 290.404 -0.557 20 0 CBADLP C[C@@H](CNC(=O)CN1CC[NH2+]CC1=O)[NH+]1CCCC1 ZINC000576581166 335221612 /nfs/dbraw/zinc/22/16/12/335221612.db2.gz BGCFGKMZLXGMFO-NSHDSACASA-N 2 2 268.361 -0.981 20 0 CBADLP CC(C)OCC[C@H](O)C[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000576629729 335227655 /nfs/dbraw/zinc/22/76/55/335227655.db2.gz DSPCDUUXDRIQFZ-KBPBESRZSA-N 2 2 273.421 -0.002 20 0 CBADLP CC(C)OCC[C@H](O)C[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000576629729 335227657 /nfs/dbraw/zinc/22/76/57/335227657.db2.gz DSPCDUUXDRIQFZ-KBPBESRZSA-N 2 2 273.421 -0.002 20 0 CBADLP C[C@H]1C[NH2+]CCN1C(=O)c1cc([C@@H]2CC[NH2+]C2)[nH]n1 ZINC000576635259 335228650 /nfs/dbraw/zinc/22/86/50/335228650.db2.gz MOLGKMMSUSJDCQ-VHSXEESVSA-N 2 2 263.345 -0.080 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000576753263 335243388 /nfs/dbraw/zinc/24/33/88/335243388.db2.gz FEWFFYMCANICDO-STQMWFEESA-N 2 2 298.431 -0.053 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000576753263 335243389 /nfs/dbraw/zinc/24/33/89/335243389.db2.gz FEWFFYMCANICDO-STQMWFEESA-N 2 2 298.431 -0.053 20 0 CBADLP CC[C@@H](C)NC(=O)CCNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000576807510 335249688 /nfs/dbraw/zinc/24/96/88/335249688.db2.gz ZHGIZZVZJARXJH-NEPJUHHUSA-N 2 2 299.419 -0.425 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000576873035 335258459 /nfs/dbraw/zinc/25/84/59/335258459.db2.gz YRGBJGLHTBAFKL-NWDGAFQWSA-N 2 2 284.404 -0.301 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000576873035 335258461 /nfs/dbraw/zinc/25/84/61/335258461.db2.gz YRGBJGLHTBAFKL-NWDGAFQWSA-N 2 2 284.404 -0.301 20 0 CBADLP CC[N@H+]1CCOC[C@H]1C(=O)N(CCOC)CC[NH+](C)C ZINC000576875126 335258757 /nfs/dbraw/zinc/25/87/57/335258757.db2.gz CLNVCTKWIVJWHP-ZDUSSCGKSA-N 2 2 287.404 -0.256 20 0 CBADLP CC[N@@H+]1CCOC[C@H]1C(=O)N(CCOC)CC[NH+](C)C ZINC000576875126 335258755 /nfs/dbraw/zinc/25/87/55/335258755.db2.gz CLNVCTKWIVJWHP-ZDUSSCGKSA-N 2 2 287.404 -0.256 20 0 CBADLP CO[C@@H](C[NH3+])C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000580561489 335281530 /nfs/dbraw/zinc/28/15/30/335281530.db2.gz DBULFVFKLNYBKQ-NSHDSACASA-N 2 2 279.344 -0.593 20 0 CBADLP C[C@H]1CN(C(=O)[C@]23C[C@H]2CC[NH2+]3)C[C@H]1[NH+]1CCOCC1 ZINC000577066104 335294505 /nfs/dbraw/zinc/29/45/05/335294505.db2.gz JKKGUEAJZMBQEP-JLNYLFASSA-N 2 2 279.384 -0.083 20 0 CBADLP CCNC(=O)NC(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000577111803 335302208 /nfs/dbraw/zinc/30/22/08/335302208.db2.gz RIZVJMHCEGPDBH-ZDUSSCGKSA-N 2 2 268.361 -0.092 20 0 CBADLP CCNC(=O)NC(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000577111803 335302210 /nfs/dbraw/zinc/30/22/10/335302210.db2.gz RIZVJMHCEGPDBH-ZDUSSCGKSA-N 2 2 268.361 -0.092 20 0 CBADLP COC(=O)c1ccc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)[nH]1 ZINC000580658647 335314734 /nfs/dbraw/zinc/31/47/34/335314734.db2.gz IJDLRALMEAONSK-WDEREUQCSA-N 2 2 292.339 -0.455 20 0 CBADLP COC(=O)c1ccc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)[nH]1 ZINC000580658647 335314735 /nfs/dbraw/zinc/31/47/35/335314735.db2.gz IJDLRALMEAONSK-WDEREUQCSA-N 2 2 292.339 -0.455 20 0 CBADLP Cc1[nH+]c2cc(NC(=O)CNC(=O)C[NH3+])ccc2n1C ZINC000577489773 335358114 /nfs/dbraw/zinc/35/81/14/335358114.db2.gz XPURHDPHWJYPTN-UHFFFAOYSA-N 2 2 275.312 -0.105 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1CC[NH2+][C@H]1C)[NH+]1CCN(C)CC1 ZINC000577489822 335358253 /nfs/dbraw/zinc/35/82/53/335358253.db2.gz ZGGIVRKDHLMIBP-FRRDWIJNSA-N 2 2 268.405 -0.264 20 0 CBADLP CN(CC[NH+]1CCCC1)C(=O)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000577531003 335365868 /nfs/dbraw/zinc/36/58/68/335365868.db2.gz QUDFLCBNYRDRBU-UHFFFAOYSA-N 2 2 293.371 -0.078 20 0 CBADLP CNC(=O)NC(=O)C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177382182 335371286 /nfs/dbraw/zinc/37/12/86/335371286.db2.gz FECVEVSXOFWQBJ-UHFFFAOYSA-N 2 2 299.419 -0.600 20 0 CBADLP CNC(=O)NC(=O)C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177382182 335371288 /nfs/dbraw/zinc/37/12/88/335371288.db2.gz FECVEVSXOFWQBJ-UHFFFAOYSA-N 2 2 299.419 -0.600 20 0 CBADLP CNC(=O)NC(=O)CN(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000177382182 335371290 /nfs/dbraw/zinc/37/12/90/335371290.db2.gz FECVEVSXOFWQBJ-UHFFFAOYSA-N 2 2 299.419 -0.600 20 0 CBADLP CNC(=O)NC(=O)CN(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000177382182 335371292 /nfs/dbraw/zinc/37/12/92/335371292.db2.gz FECVEVSXOFWQBJ-UHFFFAOYSA-N 2 2 299.419 -0.600 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)C[C@H]2CSCC[NH2+]2)CCO1 ZINC000577637337 335384279 /nfs/dbraw/zinc/38/42/79/335384279.db2.gz RUJOTHZBVMJVDY-RYUDHWBXSA-N 2 2 287.429 -0.082 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)C[C@H]2CSCC[NH2+]2)CCO1 ZINC000577637337 335384281 /nfs/dbraw/zinc/38/42/81/335384281.db2.gz RUJOTHZBVMJVDY-RYUDHWBXSA-N 2 2 287.429 -0.082 20 0 CBADLP C[C@H](NC(=O)CCn1cc[nH+]c1)C(=O)NCC[NH+](C)C ZINC000578558316 335649311 /nfs/dbraw/zinc/64/93/11/335649311.db2.gz JZZMUSSSAOEEKH-NSHDSACASA-N 2 2 281.360 -0.544 20 0 CBADLP CCOC[C@H](O)C[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000581071291 336004127 /nfs/dbraw/zinc/00/41/27/336004127.db2.gz DAVSDHYHZCKKRS-CHWSQXEVSA-N 2 2 260.378 -0.180 20 0 CBADLP CCOC[C@H](O)C[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000581071291 336004129 /nfs/dbraw/zinc/00/41/29/336004129.db2.gz DAVSDHYHZCKKRS-CHWSQXEVSA-N 2 2 260.378 -0.180 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)C[NH2+]C[C@@H]2CCCO2)CCO1 ZINC000581134538 336013672 /nfs/dbraw/zinc/01/36/72/336013672.db2.gz YFABREVRNDNAFC-OLZOCXBDSA-N 2 2 285.388 -0.408 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)C[NH2+]C[C@@H]2CCCO2)CCO1 ZINC000581134538 336013674 /nfs/dbraw/zinc/01/36/74/336013674.db2.gz YFABREVRNDNAFC-OLZOCXBDSA-N 2 2 285.388 -0.408 20 0 CBADLP COCCCNC(=O)C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000381002624 336043514 /nfs/dbraw/zinc/04/35/14/336043514.db2.gz NAXZYFZWNZUAPA-CYBMUJFWSA-N 2 2 255.362 -0.176 20 0 CBADLP COCCCNC(=O)C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000381002624 336043516 /nfs/dbraw/zinc/04/35/16/336043516.db2.gz NAXZYFZWNZUAPA-CYBMUJFWSA-N 2 2 255.362 -0.176 20 0 CBADLP C[C@@H](CC(=O)NC[C@H]1C[NH2+]CCN1C)n1cc[nH+]c1 ZINC000581376804 336064705 /nfs/dbraw/zinc/06/47/05/336064705.db2.gz FPDMXKFBYNXQTP-NWDGAFQWSA-N 2 2 265.361 -0.146 20 0 CBADLP COC(=O)CCNC(=O)C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000581608415 336111837 /nfs/dbraw/zinc/11/18/37/336111837.db2.gz DEENKOTVNHUUFG-VHSXEESVSA-N 2 2 257.334 -0.665 20 0 CBADLP COC(=O)CCNC(=O)C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000581608415 336111839 /nfs/dbraw/zinc/11/18/39/336111839.db2.gz DEENKOTVNHUUFG-VHSXEESVSA-N 2 2 257.334 -0.665 20 0 CBADLP C[C@@H](NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)c1[nH]cc[nH+]1 ZINC000581617841 336113428 /nfs/dbraw/zinc/11/34/28/336113428.db2.gz FZTIPYDYEJFYID-MNOVXSKESA-N 2 2 263.345 -0.023 20 0 CBADLP C[C@@H](NC(=O)[C@@H]1C[N@H+]2CCN1CCC2)c1[nH]cc[nH+]1 ZINC000581617841 336113429 /nfs/dbraw/zinc/11/34/29/336113429.db2.gz FZTIPYDYEJFYID-MNOVXSKESA-N 2 2 263.345 -0.023 20 0 CBADLP O=C(NCc1ccc(N2CCOCC2)[nH+]c1)[C@H]1CC[NH2+]1 ZINC000384835969 336132209 /nfs/dbraw/zinc/13/22/09/336132209.db2.gz OSWMVEDBHKJIFD-GFCCVEGCSA-N 2 2 276.340 -0.104 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[N@H+](C)C1CC([NH3+])C1 ZINC000384986053 336135658 /nfs/dbraw/zinc/13/56/58/336135658.db2.gz KAWAFPHUGQBSJT-UHFFFAOYSA-N 2 2 270.377 -0.608 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[N@@H+](C)C1CC([NH3+])C1 ZINC000384986053 336135659 /nfs/dbraw/zinc/13/56/59/336135659.db2.gz KAWAFPHUGQBSJT-UHFFFAOYSA-N 2 2 270.377 -0.608 20 0 CBADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+][C@H]2C[C@@H](O)C2)C[C@@H](C)O1 ZINC000581726675 336138292 /nfs/dbraw/zinc/13/82/92/336138292.db2.gz XZMQYIZISFYMJQ-KVSVUVNWSA-N 2 2 258.362 -0.431 20 0 CBADLP Cc1[nH+]cc(C[NH2+]C[C@@](C)(O)CN2CCOCC2)n1C ZINC000581737587 336140511 /nfs/dbraw/zinc/14/05/11/336140511.db2.gz LRWWKWLCWFBCKL-CQSZACIVSA-N 2 2 282.388 -0.099 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(OCCO)CC1 ZINC000385919497 336161233 /nfs/dbraw/zinc/16/12/33/336161233.db2.gz JFUUNMPFPBZBQN-GFCCVEGCSA-N 2 2 260.378 -0.228 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(OCCO)CC1 ZINC000385919497 336161235 /nfs/dbraw/zinc/16/12/35/336161235.db2.gz JFUUNMPFPBZBQN-GFCCVEGCSA-N 2 2 260.378 -0.228 20 0 CBADLP NC(=O)NC(=O)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000156375236 534386086 /nfs/dbraw/zinc/38/60/86/534386086.db2.gz HMXSRIMUBFDCQN-SNVBAGLBSA-N 2 2 264.285 -0.270 20 0 CBADLP NC(=O)NC(=O)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000156375236 534386094 /nfs/dbraw/zinc/38/60/94/534386094.db2.gz HMXSRIMUBFDCQN-SNVBAGLBSA-N 2 2 264.285 -0.270 20 0 CBADLP O=C([C@H]1CC[NH2+]C1)N1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000378206758 534631728 /nfs/dbraw/zinc/63/17/28/534631728.db2.gz AHDKQIGCXOVVGC-QWHCGFSZSA-N 2 2 294.399 -0.591 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@@H]([NH3+])CCSC)CC1 ZINC000164006619 523845577 /nfs/dbraw/zinc/84/55/77/523845577.db2.gz JUDHFIMPXVLHOW-NSHDSACASA-N 2 2 275.418 -0.143 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)CC[C@@H]2CC[NH2+]C2)CC1 ZINC000261639112 534788610 /nfs/dbraw/zinc/78/86/10/534788610.db2.gz AAMOENNUTBWWKB-CQSZACIVSA-N 2 2 296.415 -0.344 20 0 CBADLP CC(C)([NH3+])C(=O)N1CC[NH+](C2(C(N)=O)CCCC2)CC1 ZINC000376789815 527239075 /nfs/dbraw/zinc/23/90/75/527239075.db2.gz MVDBSRJWHNQWBE-UHFFFAOYSA-N 2 2 282.388 -0.334 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000377948147 527733532 /nfs/dbraw/zinc/73/35/32/527733532.db2.gz IGCLROFPNIDYNF-ZDUSSCGKSA-N 2 2 299.415 -0.378 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000377948147 527733536 /nfs/dbraw/zinc/73/35/36/527733536.db2.gz IGCLROFPNIDYNF-ZDUSSCGKSA-N 2 2 299.415 -0.378 20 0 CBADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NC(N)=O)[C@H](C)C1 ZINC000174773945 527831522 /nfs/dbraw/zinc/83/15/22/527831522.db2.gz VHEJIWIAZNCXFO-ZJUUUORDSA-N 2 2 256.350 -0.157 20 0 CBADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NC(N)=O)[C@H](C)C1 ZINC000174773945 527831528 /nfs/dbraw/zinc/83/15/28/527831528.db2.gz VHEJIWIAZNCXFO-ZJUUUORDSA-N 2 2 256.350 -0.157 20 0 CBADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NC(N)=O)[C@H](C)C1 ZINC000174773945 527831530 /nfs/dbraw/zinc/83/15/30/527831530.db2.gz VHEJIWIAZNCXFO-ZJUUUORDSA-N 2 2 256.350 -0.157 20 0 CBADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NC(N)=O)[C@H](C)C1 ZINC000174773945 527831537 /nfs/dbraw/zinc/83/15/37/527831537.db2.gz VHEJIWIAZNCXFO-ZJUUUORDSA-N 2 2 256.350 -0.157 20 0 CBADLP CCOC(=O)[C@@](C)(O)C[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000354851628 527918140 /nfs/dbraw/zinc/91/81/40/527918140.db2.gz MXAOPUNZTSZDGD-AWEZNQCLSA-N 2 2 288.388 -0.311 20 0 CBADLP CCOC(=O)[C@@](C)(O)C[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000354851628 527918146 /nfs/dbraw/zinc/91/81/46/527918146.db2.gz MXAOPUNZTSZDGD-AWEZNQCLSA-N 2 2 288.388 -0.311 20 0 CBADLP CCCNC(=O)C[NH+]1CCC(N2CC[N@H+](C)CC2=O)CC1 ZINC000378601114 528385827 /nfs/dbraw/zinc/38/58/27/528385827.db2.gz RPDDXTSSVIRMDZ-UHFFFAOYSA-N 2 2 296.415 -0.249 20 0 CBADLP CCCNC(=O)C[NH+]1CCC(N2CC[N@@H+](C)CC2=O)CC1 ZINC000378601114 528385835 /nfs/dbraw/zinc/38/58/35/528385835.db2.gz RPDDXTSSVIRMDZ-UHFFFAOYSA-N 2 2 296.415 -0.249 20 0 CBADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC[NH+]2CCOCC2)C1 ZINC000377104117 529048742 /nfs/dbraw/zinc/04/87/42/529048742.db2.gz PYPQGVRUQWEQGK-CYBMUJFWSA-N 2 2 285.388 -0.456 20 0 CBADLP CC(C)[N@H+]1CCO[C@@H](C(=O)NCC[NH+]2CCOCC2)C1 ZINC000377104117 529048746 /nfs/dbraw/zinc/04/87/46/529048746.db2.gz PYPQGVRUQWEQGK-CYBMUJFWSA-N 2 2 285.388 -0.456 20 0 CBADLP CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000174645832 529057697 /nfs/dbraw/zinc/05/76/97/529057697.db2.gz SUYGBJPDGAXQBI-NEPJUHHUSA-N 2 2 255.362 -0.083 20 0 CBADLP CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000174645832 529057703 /nfs/dbraw/zinc/05/77/03/529057703.db2.gz SUYGBJPDGAXQBI-NEPJUHHUSA-N 2 2 255.362 -0.083 20 0 CBADLP CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000174645832 529057707 /nfs/dbraw/zinc/05/77/07/529057707.db2.gz SUYGBJPDGAXQBI-NEPJUHHUSA-N 2 2 255.362 -0.083 20 0 CBADLP CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000174645832 529057714 /nfs/dbraw/zinc/05/77/14/529057714.db2.gz SUYGBJPDGAXQBI-NEPJUHHUSA-N 2 2 255.362 -0.083 20 0 CBADLP CN1C(=O)C(=O)N(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)C1=O ZINC000129276461 582123049 /nfs/dbraw/zinc/12/30/49/582123049.db2.gz XRWPHBUPQXACTO-GHMZBOCLSA-N 2 2 294.355 -0.219 20 0 CBADLP CN1C(=O)C(=O)N(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)C1=O ZINC000129276461 582123051 /nfs/dbraw/zinc/12/30/51/582123051.db2.gz XRWPHBUPQXACTO-GHMZBOCLSA-N 2 2 294.355 -0.219 20 0 CBADLP CN1C(=O)C(=O)N(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)C1=O ZINC000129276461 582123052 /nfs/dbraw/zinc/12/30/52/582123052.db2.gz XRWPHBUPQXACTO-GHMZBOCLSA-N 2 2 294.355 -0.219 20 0 CBADLP CN1C(=O)C(=O)N(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)C1=O ZINC000129276461 582123054 /nfs/dbraw/zinc/12/30/54/582123054.db2.gz XRWPHBUPQXACTO-GHMZBOCLSA-N 2 2 294.355 -0.219 20 0 CBADLP C[C@@H](CCCCO)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000398695979 582132136 /nfs/dbraw/zinc/13/21/36/582132136.db2.gz VUWDGZJCQVKDPS-LBPRGKRZSA-N 2 2 257.378 -0.099 20 0 CBADLP C[NH+]1CCN(CCNC(=O)CC[NH+]2CCOCC2)CC1 ZINC000729306234 582146154 /nfs/dbraw/zinc/14/61/54/582146154.db2.gz XOKQQNHDAINIBE-UHFFFAOYSA-N 2 2 284.404 -0.928 20 0 CBADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC000732149811 582156779 /nfs/dbraw/zinc/15/67/79/582156779.db2.gz QXWALGZSJYWRHH-CYBMUJFWSA-N 2 2 284.404 -0.929 20 0 CBADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC000732149811 582156780 /nfs/dbraw/zinc/15/67/80/582156780.db2.gz QXWALGZSJYWRHH-CYBMUJFWSA-N 2 2 284.404 -0.929 20 0 CBADLP O=C1NCCN1[C@H]1CCC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000734208804 582168348 /nfs/dbraw/zinc/16/83/48/582168348.db2.gz BMHIKTDLAZIYDU-UONOGXRCSA-N 2 2 296.415 -0.067 20 0 CBADLP O=C1NCCN1[C@H]1CCC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000734208804 582168349 /nfs/dbraw/zinc/16/83/49/582168349.db2.gz BMHIKTDLAZIYDU-UONOGXRCSA-N 2 2 296.415 -0.067 20 0 CBADLP OCCO[C@H]1CCC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000734640153 582172150 /nfs/dbraw/zinc/17/21/50/582172150.db2.gz PVZPRQSJTFJSOI-KBPBESRZSA-N 2 2 272.389 -0.084 20 0 CBADLP OCCO[C@H]1CCC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000734640153 582172152 /nfs/dbraw/zinc/17/21/52/582172152.db2.gz PVZPRQSJTFJSOI-KBPBESRZSA-N 2 2 272.389 -0.084 20 0 CBADLP NS(=O)(=O)CC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000740878405 582265905 /nfs/dbraw/zinc/26/59/05/582265905.db2.gz DEUGHPJGTPSFLD-NSHDSACASA-N 2 2 261.391 -0.307 20 0 CBADLP NS(=O)(=O)CC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000740878405 582265906 /nfs/dbraw/zinc/26/59/06/582265906.db2.gz DEUGHPJGTPSFLD-NSHDSACASA-N 2 2 261.391 -0.307 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000742247784 582272350 /nfs/dbraw/zinc/27/23/50/582272350.db2.gz YDHCLQBNBGLMMZ-VXGBXAGGSA-N 2 2 264.329 -0.138 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000742247784 582272351 /nfs/dbraw/zinc/27/23/51/582272351.db2.gz YDHCLQBNBGLMMZ-VXGBXAGGSA-N 2 2 264.329 -0.138 20 0 CBADLP C[C@@H]1CC(=O)NCC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000761058421 582314213 /nfs/dbraw/zinc/31/42/13/582314213.db2.gz XVZAHPACCKVILW-VXGBXAGGSA-N 2 2 255.362 -0.347 20 0 CBADLP C[C@@H]1CC(=O)NCC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000761058421 582314214 /nfs/dbraw/zinc/31/42/14/582314214.db2.gz XVZAHPACCKVILW-VXGBXAGGSA-N 2 2 255.362 -0.347 20 0 CBADLP C[S@@](=O)CC[NH+]1CCN(c2cc[nH+]cc2C(N)=O)CC1 ZINC000762801929 582318284 /nfs/dbraw/zinc/31/82/84/582318284.db2.gz SRKXJAWPLICORQ-HXUWFJFHSA-N 2 2 296.396 -0.319 20 0 CBADLP C[N@H+](C[C@H](O)C[NH+]1CCCC1)[C@]1(CO)CCOC1 ZINC000763892698 582321619 /nfs/dbraw/zinc/32/16/19/582321619.db2.gz HSKKNXCIMBMJQS-STQMWFEESA-N 2 2 258.362 -0.474 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH+]1CCCC1)[C@]1(CO)CCOC1 ZINC000763892698 582321620 /nfs/dbraw/zinc/32/16/20/582321620.db2.gz HSKKNXCIMBMJQS-STQMWFEESA-N 2 2 258.362 -0.474 20 0 CBADLP C[N@@H+]1CCC[C@H]2C[NH+](CCS(N)(=O)=O)CC[C@H]21 ZINC000766124655 582329782 /nfs/dbraw/zinc/32/97/82/582329782.db2.gz ZUGLORQYVVSQFX-WDEREUQCSA-N 2 2 261.391 -0.309 20 0 CBADLP C[N@H+]1CCC[C@H]2C[NH+](CCS(N)(=O)=O)CC[C@H]21 ZINC000766124655 582329783 /nfs/dbraw/zinc/32/97/83/582329783.db2.gz ZUGLORQYVVSQFX-WDEREUQCSA-N 2 2 261.391 -0.309 20 0 CBADLP C[NH+]1CCC[C@H]2C[N@H+](CCS(N)(=O)=O)CC[C@H]21 ZINC000766124655 582329784 /nfs/dbraw/zinc/32/97/84/582329784.db2.gz ZUGLORQYVVSQFX-WDEREUQCSA-N 2 2 261.391 -0.309 20 0 CBADLP C[NH+]1CCC[C@H]2C[N@@H+](CCS(N)(=O)=O)CC[C@H]21 ZINC000766124655 582329785 /nfs/dbraw/zinc/32/97/85/582329785.db2.gz ZUGLORQYVVSQFX-WDEREUQCSA-N 2 2 261.391 -0.309 20 0 CBADLP C[C@@H](NC(=O)CC[NH+]1CCOCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000771091741 582340477 /nfs/dbraw/zinc/34/04/77/582340477.db2.gz KXHRKLXAZGVLRL-OLZOCXBDSA-N 2 2 285.388 -0.456 20 0 CBADLP C[C@@H](NC(=O)CC[NH+]1CCOCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000771091741 582340478 /nfs/dbraw/zinc/34/04/78/582340478.db2.gz KXHRKLXAZGVLRL-OLZOCXBDSA-N 2 2 285.388 -0.456 20 0 CBADLP C[C@H](NC(=O)CC[NH+]1CCOCC1)[C@H]1C[N@H+](C)CCO1 ZINC000771091744 582340526 /nfs/dbraw/zinc/34/05/26/582340526.db2.gz KXHRKLXAZGVLRL-QWHCGFSZSA-N 2 2 285.388 -0.456 20 0 CBADLP C[C@H](NC(=O)CC[NH+]1CCOCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000771091744 582340527 /nfs/dbraw/zinc/34/05/27/582340527.db2.gz KXHRKLXAZGVLRL-QWHCGFSZSA-N 2 2 285.388 -0.456 20 0 CBADLP Cn1cc([C@H](CO)[NH2+]C[C@H](O)C[NH+]2CCCC2)cn1 ZINC000778135255 582358092 /nfs/dbraw/zinc/35/80/92/582358092.db2.gz CEDXVWUJGQWCQR-STQMWFEESA-N 2 2 268.361 -0.500 20 0 CBADLP C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1CCO ZINC000779317887 582360867 /nfs/dbraw/zinc/36/08/67/582360867.db2.gz VCZFOWWIWVRSKN-LBPRGKRZSA-N 2 2 269.389 -0.004 20 0 CBADLP C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[N@H+]1CCO ZINC000779317887 582360868 /nfs/dbraw/zinc/36/08/68/582360868.db2.gz VCZFOWWIWVRSKN-LBPRGKRZSA-N 2 2 269.389 -0.004 20 0 CBADLP NC(=O)[C@]1(O)CC[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000788474151 582386173 /nfs/dbraw/zinc/38/61/73/582386173.db2.gz MDHPVVZXTBQUML-AWEZNQCLSA-N 2 2 287.323 -0.311 20 0 CBADLP NC(=O)[C@]1(O)CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000788474151 582386174 /nfs/dbraw/zinc/38/61/74/582386174.db2.gz MDHPVVZXTBQUML-AWEZNQCLSA-N 2 2 287.323 -0.311 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)CC[NH+]1CCOCC1 ZINC000790127922 582390334 /nfs/dbraw/zinc/39/03/34/582390334.db2.gz OMPNJVWPICCZGR-CQSZACIVSA-N 2 2 299.415 -0.112 20 0 CBADLP CO[C@@H](C)C[N@H+](C)CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000795749715 582410492 /nfs/dbraw/zinc/41/04/92/582410492.db2.gz HPDNRTDWZBMGHT-NSHDSACASA-N 2 2 298.387 -0.073 20 0 CBADLP CO[C@@H](C)C[N@@H+](C)CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000795749715 582410493 /nfs/dbraw/zinc/41/04/93/582410493.db2.gz HPDNRTDWZBMGHT-NSHDSACASA-N 2 2 298.387 -0.073 20 0 CBADLP O=C(N[C@H]1CCc2c[nH+]cn2C1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000804333133 582429858 /nfs/dbraw/zinc/42/98/58/582429858.db2.gz FYYARELTKVOAMI-JSGCOSHPSA-N 2 2 289.383 -0.296 20 0 CBADLP O=C(N[C@H]1CCc2c[nH+]cn2C1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000804333133 582429859 /nfs/dbraw/zinc/42/98/59/582429859.db2.gz FYYARELTKVOAMI-JSGCOSHPSA-N 2 2 289.383 -0.296 20 0 CBADLP CC(C)[NH+]1CC(NC(=O)CC[NH+]2CCOCC2)C1 ZINC000804611484 582430577 /nfs/dbraw/zinc/43/05/77/582430577.db2.gz TVDMCWMLJCIYTQ-UHFFFAOYSA-N 2 2 255.362 -0.083 20 0 CBADLP C[C@@H](C[NH+](C)C)NC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000806664923 582437447 /nfs/dbraw/zinc/43/74/47/582437447.db2.gz CUPVWTAPKFMEEP-RYUDHWBXSA-N 2 2 272.393 -0.044 20 0 CBADLP C[C@@H](C[NH+](C)C)NC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000806664923 582437448 /nfs/dbraw/zinc/43/74/48/582437448.db2.gz CUPVWTAPKFMEEP-RYUDHWBXSA-N 2 2 272.393 -0.044 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000806696307 582437677 /nfs/dbraw/zinc/43/76/77/582437677.db2.gz BEFQTCYYOZMTKA-AAEUAGOBSA-N 2 2 278.356 -0.058 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000806696307 582437678 /nfs/dbraw/zinc/43/76/78/582437678.db2.gz BEFQTCYYOZMTKA-AAEUAGOBSA-N 2 2 278.356 -0.058 20 0 CBADLP CON(C)C(=O)CC[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000808708743 582443994 /nfs/dbraw/zinc/44/39/94/582443994.db2.gz NCQZNOHYFNCBQY-UHFFFAOYSA-N 2 2 286.376 -0.898 20 0 CBADLP Cn1ncc(C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)n1 ZINC000809970085 582447554 /nfs/dbraw/zinc/44/75/54/582447554.db2.gz MRBWGHSCKJUFCO-UHFFFAOYSA-N 2 2 295.387 -0.526 20 0 CBADLP C[C@H](NC(=O)NCc1c[nH+]cn1C)[C@@H]1C[N@H+](C)CCO1 ZINC000811896052 582451530 /nfs/dbraw/zinc/45/15/30/582451530.db2.gz HJBBRGUIAOBBRD-JQWIXIFHSA-N 2 2 281.360 -0.062 20 0 CBADLP C[C@H](NC(=O)NCc1c[nH+]cn1C)[C@@H]1C[N@@H+](C)CCO1 ZINC000811896052 582451531 /nfs/dbraw/zinc/45/15/31/582451531.db2.gz HJBBRGUIAOBBRD-JQWIXIFHSA-N 2 2 281.360 -0.062 20 0 CBADLP C[NH+]1CCC(CC(=O)N2CCC[N@H+](CC(N)=O)CC2)CC1 ZINC000813440076 582454289 /nfs/dbraw/zinc/45/42/89/582454289.db2.gz ICGOLJAEQFNVEV-UHFFFAOYSA-N 2 2 296.415 -0.262 20 0 CBADLP C[NH+]1CCC(CC(=O)N2CCC[N@@H+](CC(N)=O)CC2)CC1 ZINC000813440076 582454290 /nfs/dbraw/zinc/45/42/90/582454290.db2.gz ICGOLJAEQFNVEV-UHFFFAOYSA-N 2 2 296.415 -0.262 20 0 CBADLP Cn1ncc(C[NH2+]CC(=O)N2CC[NH+](C)CC2)c1Cl ZINC000815120094 582460738 /nfs/dbraw/zinc/46/07/38/582460738.db2.gz ALAZNEZOTTWYAS-UHFFFAOYSA-N 2 2 285.779 -0.063 20 0 CBADLP O=C(CCCn1cc[nH+]c1)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000816506798 582476547 /nfs/dbraw/zinc/47/65/47/582476547.db2.gz MVFXFOPOLXSACB-CYBMUJFWSA-N 2 2 296.371 -0.527 20 0 CBADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCS(=O)(=O)N1CCOCC1 ZINC000817909638 582496332 /nfs/dbraw/zinc/49/63/32/582496332.db2.gz XJOSSHSUSUGKPF-NWDGAFQWSA-N 2 2 291.417 -0.764 20 0 CBADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCS(=O)(=O)N1CCOCC1 ZINC000817909637 582496355 /nfs/dbraw/zinc/49/63/55/582496355.db2.gz XJOSSHSUSUGKPF-NEPJUHHUSA-N 2 2 291.417 -0.764 20 0 CBADLP CC[NH2+]CC(=O)N1CC[N@H+](CCC(=O)OC)C[C@H]1C ZINC000818609631 582512753 /nfs/dbraw/zinc/51/27/53/582512753.db2.gz MJXYUMVTLORBFG-LLVKDONJSA-N 2 2 271.361 -0.308 20 0 CBADLP CC[NH2+]CC(=O)N1CC[N@@H+](CCC(=O)OC)C[C@H]1C ZINC000818609631 582512754 /nfs/dbraw/zinc/51/27/54/582512754.db2.gz MJXYUMVTLORBFG-LLVKDONJSA-N 2 2 271.361 -0.308 20 0 CBADLP CCS(=O)(=O)CC[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000819033239 582525104 /nfs/dbraw/zinc/52/51/04/582525104.db2.gz NFHMVTFGEIDZRQ-GFCCVEGCSA-N 2 2 277.434 -0.353 20 0 CBADLP C[NH+](C)C1CC[NH+](CCNC(=O)CN2CCOC2=O)CC1 ZINC000820608279 582576396 /nfs/dbraw/zinc/57/63/96/582576396.db2.gz FSTGYACMYPYAFX-UHFFFAOYSA-N 2 2 298.387 -0.419 20 0 CBADLP C[N@@H+]1CC[C@@H](CC(=O)NCCC[NH+]2CCNC(=O)C2)C1 ZINC000821245974 582596579 /nfs/dbraw/zinc/59/65/79/582596579.db2.gz GXEUMLGBMLUGSN-LBPRGKRZSA-N 2 2 282.388 -0.734 20 0 CBADLP C[N@H+]1CC[C@@H](CC(=O)NCCC[NH+]2CCNC(=O)C2)C1 ZINC000821245974 582596580 /nfs/dbraw/zinc/59/65/80/582596580.db2.gz GXEUMLGBMLUGSN-LBPRGKRZSA-N 2 2 282.388 -0.734 20 0 CBADLP C[NH+]1CC[C@@H](CC(=O)NCCC[N@@H+]2CCNC(=O)C2)C1 ZINC000821245974 582596582 /nfs/dbraw/zinc/59/65/82/582596582.db2.gz GXEUMLGBMLUGSN-LBPRGKRZSA-N 2 2 282.388 -0.734 20 0 CBADLP C[NH+]1CC[C@@H](CC(=O)NCCC[N@H+]2CCNC(=O)C2)C1 ZINC000821245974 582596583 /nfs/dbraw/zinc/59/65/83/582596583.db2.gz GXEUMLGBMLUGSN-LBPRGKRZSA-N 2 2 282.388 -0.734 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000824740910 582708047 /nfs/dbraw/zinc/70/80/47/582708047.db2.gz LZSHKJKAENIFLA-GHMZBOCLSA-N 2 2 264.329 -0.068 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000824740910 582708049 /nfs/dbraw/zinc/70/80/49/582708049.db2.gz LZSHKJKAENIFLA-GHMZBOCLSA-N 2 2 264.329 -0.068 20 0 CBADLP CN(CC[N@H+](C)CCO)C(=O)/C=C\c1cn(C)c[nH+]1 ZINC000825526221 582738881 /nfs/dbraw/zinc/73/88/81/582738881.db2.gz FOUKWQQGGCNVKI-PLNGDYQASA-N 2 2 266.345 -0.184 20 0 CBADLP CN(CC[N@@H+](C)CCO)C(=O)/C=C\c1cn(C)c[nH+]1 ZINC000825526221 582738883 /nfs/dbraw/zinc/73/88/83/582738883.db2.gz FOUKWQQGGCNVKI-PLNGDYQASA-N 2 2 266.345 -0.184 20 0 CBADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C)C[C@H]1CO ZINC000826707790 582786661 /nfs/dbraw/zinc/78/66/61/582786661.db2.gz NARAXHUOWJXYOR-QWHCGFSZSA-N 2 2 269.389 -0.006 20 0 CBADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C)C[C@H]1CO ZINC000826707790 582786662 /nfs/dbraw/zinc/78/66/62/582786662.db2.gz NARAXHUOWJXYOR-QWHCGFSZSA-N 2 2 269.389 -0.006 20 0 CBADLP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000826707790 582786665 /nfs/dbraw/zinc/78/66/65/582786665.db2.gz NARAXHUOWJXYOR-QWHCGFSZSA-N 2 2 269.389 -0.006 20 0 CBADLP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000826707790 582786667 /nfs/dbraw/zinc/78/66/67/582786667.db2.gz NARAXHUOWJXYOR-QWHCGFSZSA-N 2 2 269.389 -0.006 20 0 CBADLP O=C(NC[C@@]1(CO)COCC[NH2+]1)c1cc2c[nH+]ccc2[nH]1 ZINC000827576845 582824687 /nfs/dbraw/zinc/82/46/87/582824687.db2.gz BRAFGNKDSVGGCT-CQSZACIVSA-N 2 2 290.323 -0.356 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)C[C@@H]([NH3+])C1CC1 ZINC000828415842 582854990 /nfs/dbraw/zinc/85/49/90/582854990.db2.gz ZKMLDRLLRISRQA-GFCCVEGCSA-N 2 2 255.362 -0.096 20 0 CBADLP Cn1c[nH+]c(/C=C/C(=O)NCC[N@H+](C)CCO)c1 ZINC000829756533 582898449 /nfs/dbraw/zinc/89/84/49/582898449.db2.gz GDGBBDCIAQJKCL-ONEGZZNKSA-N 2 2 252.318 -0.526 20 0 CBADLP Cn1c[nH+]c(/C=C/C(=O)NCC[N@@H+](C)CCO)c1 ZINC000829756533 582898452 /nfs/dbraw/zinc/89/84/52/582898452.db2.gz GDGBBDCIAQJKCL-ONEGZZNKSA-N 2 2 252.318 -0.526 20 0 CBADLP C[C@H](CNC(=O)C[C@@H]([NH3+])C1CC1)[NH+]1CCN(C)CC1 ZINC000829918600 582906353 /nfs/dbraw/zinc/90/63/53/582906353.db2.gz TUIZCNXIZCGXRH-DGCLKSJQSA-N 2 2 268.405 -0.134 20 0 CBADLP C[N@@H+]1CCN(C(=O)NCCCCCC[NH3+])[C@@H](C[NH3+])C1 ZINC000831291404 582974697 /nfs/dbraw/zinc/97/46/97/582974697.db2.gz MWPUZDCPPWOFTL-LBPRGKRZSA-N 3 2 271.409 -0.210 20 0 CBADLP C[N@H+]1CCN(C(=O)NCCCCCC[NH3+])[C@@H](C[NH3+])C1 ZINC000831291404 582974701 /nfs/dbraw/zinc/97/47/01/582974701.db2.gz MWPUZDCPPWOFTL-LBPRGKRZSA-N 3 2 271.409 -0.210 20 0 CBADLP C[NH2+]C[C@@H]1CCCN1C(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC000832828506 583049423 /nfs/dbraw/zinc/04/94/23/583049423.db2.gz DDOBNBSLHVFBEM-VIFPVBQESA-N 2 2 263.345 -0.121 20 0 CBADLP C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)CC[NH+]1CCOCC1 ZINC000841454099 583170825 /nfs/dbraw/zinc/17/08/25/583170825.db2.gz KWVZZPCJKKXJLR-KBPBESRZSA-N 2 2 299.415 -0.378 20 0 CBADLP C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)CC[NH+]1CCOCC1 ZINC000841454099 583170827 /nfs/dbraw/zinc/17/08/27/583170827.db2.gz KWVZZPCJKKXJLR-KBPBESRZSA-N 2 2 299.415 -0.378 20 0 CBADLP COc1c(C)c[nH+]c(CNC(=O)C(=O)NC2C[NH2+]C2)c1C ZINC000842148368 583179957 /nfs/dbraw/zinc/17/99/57/583179957.db2.gz MVFLXWHFBDVMEL-UHFFFAOYSA-N 2 2 292.339 -0.589 20 0 CBADLP CNC(=O)[C@H](O)C[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000843111550 583202896 /nfs/dbraw/zinc/20/28/96/583202896.db2.gz TZRSUFGNLZYNAC-UONOGXRCSA-N 2 2 295.383 -0.824 20 0 CBADLP CNC(=O)[C@H](O)C[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000843111550 583202899 /nfs/dbraw/zinc/20/28/99/583202899.db2.gz TZRSUFGNLZYNAC-UONOGXRCSA-N 2 2 295.383 -0.824 20 0 CBADLP COCCS(=O)(=O)CCC[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000843348183 583211167 /nfs/dbraw/zinc/21/11/67/583211167.db2.gz BLRLSGBWRTYVGC-LLVKDONJSA-N 2 2 264.391 -0.282 20 0 CBADLP COCCS(=O)(=O)CCC[N@H+]1CC[C@H](C[NH3+])C1 ZINC000843348183 583211171 /nfs/dbraw/zinc/21/11/71/583211171.db2.gz BLRLSGBWRTYVGC-LLVKDONJSA-N 2 2 264.391 -0.282 20 0 CBADLP C[NH2+]C[C@@H]1CC[N@H+](CCCS(=O)(=O)CCOC)C1 ZINC000843349419 583211650 /nfs/dbraw/zinc/21/16/50/583211650.db2.gz YWHMUEPJIQTJKG-LBPRGKRZSA-N 2 2 278.418 -0.021 20 0 CBADLP C[NH2+]C[C@@H]1CC[N@@H+](CCCS(=O)(=O)CCOC)C1 ZINC000843349419 583211652 /nfs/dbraw/zinc/21/16/52/583211652.db2.gz YWHMUEPJIQTJKG-LBPRGKRZSA-N 2 2 278.418 -0.021 20 0 CBADLP O=C1OCC[C@@H]1[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000843369820 583213205 /nfs/dbraw/zinc/21/32/05/583213205.db2.gz VPVLZHUBOKYPBX-MNOVXSKESA-N 2 2 267.329 -0.802 20 0 CBADLP O=C1OCC[C@@H]1[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000843369820 583213207 /nfs/dbraw/zinc/21/32/07/583213207.db2.gz VPVLZHUBOKYPBX-MNOVXSKESA-N 2 2 267.329 -0.802 20 0 CBADLP CC(C)[N@H+](CCN1CC[NH2+]CC1)CCS(C)(=O)=O ZINC000843389248 583214659 /nfs/dbraw/zinc/21/46/59/583214659.db2.gz WTDDGWHEFDVEHZ-UHFFFAOYSA-N 2 2 277.434 -0.353 20 0 CBADLP CC(C)[N@@H+](CCN1CC[NH2+]CC1)CCS(C)(=O)=O ZINC000843389248 583214663 /nfs/dbraw/zinc/21/46/63/583214663.db2.gz WTDDGWHEFDVEHZ-UHFFFAOYSA-N 2 2 277.434 -0.353 20 0 CBADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000843483873 583226877 /nfs/dbraw/zinc/22/68/77/583226877.db2.gz KQBJITMNCZTJRE-AXTSPUMRSA-N 2 2 259.300 -0.187 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000843488778 583227846 /nfs/dbraw/zinc/22/78/46/583227846.db2.gz OWUKEXRLWDLRKU-CYBMUJFWSA-N 2 2 285.388 -0.454 20 0 CBADLP O=C(CO[C@@H]1CCC[NH2+]C1)NCC[NH+]1CCOCC1 ZINC000844166283 583255823 /nfs/dbraw/zinc/25/58/23/583255823.db2.gz CFKHMGSKPCAYPV-GFCCVEGCSA-N 2 2 271.361 -0.797 20 0 CBADLP CC[NH2+]CC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000844177732 583257197 /nfs/dbraw/zinc/25/71/97/583257197.db2.gz NZIBLYUYCYYMEK-ZDUSSCGKSA-N 2 2 287.429 -0.080 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)C[C@@H]([NH3+])C2CC2)CCO1 ZINC000844178552 583257306 /nfs/dbraw/zinc/25/73/06/583257306.db2.gz AYOHUWGYWFGAEL-CMPLNLGQSA-N 2 2 255.362 -0.049 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)C[C@@H]([NH3+])C2CC2)CCO1 ZINC000844178552 583257308 /nfs/dbraw/zinc/25/73/08/583257308.db2.gz AYOHUWGYWFGAEL-CMPLNLGQSA-N 2 2 255.362 -0.049 20 0 CBADLP CC[NH2+]CC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000844177730 583257424 /nfs/dbraw/zinc/25/74/24/583257424.db2.gz NZIBLYUYCYYMEK-CYBMUJFWSA-N 2 2 287.429 -0.080 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)CO[C@@H]2CCC[NH2+]C2)CCO1 ZINC000844179715 583257831 /nfs/dbraw/zinc/25/78/31/583257831.db2.gz XFXWECPQMPIQLP-CHWSQXEVSA-N 2 2 285.388 -0.408 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)CO[C@@H]2CCC[NH2+]C2)CCO1 ZINC000844179715 583257832 /nfs/dbraw/zinc/25/78/32/583257832.db2.gz XFXWECPQMPIQLP-CHWSQXEVSA-N 2 2 285.388 -0.408 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)CO[C@@H]2CCC[NH2+]C2)CCO1 ZINC000844179717 583257865 /nfs/dbraw/zinc/25/78/65/583257865.db2.gz XFXWECPQMPIQLP-QWHCGFSZSA-N 2 2 285.388 -0.408 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)CO[C@@H]2CCC[NH2+]C2)CCO1 ZINC000844179717 583257868 /nfs/dbraw/zinc/25/78/68/583257868.db2.gz XFXWECPQMPIQLP-QWHCGFSZSA-N 2 2 285.388 -0.408 20 0 CBADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000844191535 583259930 /nfs/dbraw/zinc/25/99/30/583259930.db2.gz WVSCXUIRGLOELE-KBPBESRZSA-N 2 2 298.431 -0.493 20 0 CBADLP C[NH+](C)CCN1CC[N@H+](C[C@H](O)C2CC2)CC1=O ZINC000844381872 583269247 /nfs/dbraw/zinc/26/92/47/583269247.db2.gz TYSSTWBMYLVPSP-LBPRGKRZSA-N 2 2 255.362 -0.537 20 0 CBADLP C[NH+](C)CCN1CC[N@@H+](C[C@H](O)C2CC2)CC1=O ZINC000844381872 583269249 /nfs/dbraw/zinc/26/92/49/583269249.db2.gz TYSSTWBMYLVPSP-LBPRGKRZSA-N 2 2 255.362 -0.537 20 0 CBADLP CN(C)c1cc[nH+]c(N2CC([N@@H+]3CC[C@@H](O)C3)C2)n1 ZINC000845723269 583334961 /nfs/dbraw/zinc/33/49/61/583334961.db2.gz WGFDKCIXBHBNPR-LLVKDONJSA-N 2 2 263.345 -0.202 20 0 CBADLP CN(C)c1cc[nH+]c(N2CC([N@H+]3CC[C@@H](O)C3)C2)n1 ZINC000845723269 583334962 /nfs/dbraw/zinc/33/49/62/583334962.db2.gz WGFDKCIXBHBNPR-LLVKDONJSA-N 2 2 263.345 -0.202 20 0 CBADLP COC(=O)CC(C)(C)NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000846671221 583381716 /nfs/dbraw/zinc/38/17/16/583381716.db2.gz PJKSHKITWFPXCZ-SECBINFHSA-N 2 2 259.350 -0.277 20 0 CBADLP COC(=O)N1CCC[C@@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000846670994 583381760 /nfs/dbraw/zinc/38/17/60/583381760.db2.gz WNUMHCGJPFCUDZ-GHMZBOCLSA-N 2 2 286.376 -0.388 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCC(=O)OCC1CC1 ZINC000846670848 583381848 /nfs/dbraw/zinc/38/18/48/583381848.db2.gz UELIEFKSHZMZMA-SNVBAGLBSA-N 2 2 257.334 -0.665 20 0 CBADLP CCOC(=O)N1CC[C@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000846682354 583383033 /nfs/dbraw/zinc/38/30/33/583383033.db2.gz OHEQUFUILSHCOX-WDEREUQCSA-N 2 2 286.376 -0.388 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CCCCNC1=O ZINC000846797666 583387552 /nfs/dbraw/zinc/38/75/52/583387552.db2.gz CUWKYLWRZDYXNN-QWHCGFSZSA-N 2 2 287.404 -0.474 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CCCCNC1=O ZINC000846797666 583387553 /nfs/dbraw/zinc/38/75/53/583387553.db2.gz CUWKYLWRZDYXNN-QWHCGFSZSA-N 2 2 287.404 -0.474 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)[C@@H]1CCCCNC1=O ZINC000846797666 583387555 /nfs/dbraw/zinc/38/75/55/583387555.db2.gz CUWKYLWRZDYXNN-QWHCGFSZSA-N 2 2 287.404 -0.474 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H]1CCCCNC1=O ZINC000846797666 583387558 /nfs/dbraw/zinc/38/75/58/583387558.db2.gz CUWKYLWRZDYXNN-QWHCGFSZSA-N 2 2 287.404 -0.474 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH2+]C1(C(=O)NC)CCCC1 ZINC000846827420 583388774 /nfs/dbraw/zinc/38/87/74/583388774.db2.gz UVLLGOXPXIPVBL-LLVKDONJSA-N 2 2 257.378 -0.053 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH2+]C1(C(=O)NC)CCCC1 ZINC000846827420 583388779 /nfs/dbraw/zinc/38/87/79/583388779.db2.gz UVLLGOXPXIPVBL-LLVKDONJSA-N 2 2 257.378 -0.053 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH2+]C1(CO)COC(C)(C)OC1 ZINC000846875928 583391159 /nfs/dbraw/zinc/39/11/59/583391159.db2.gz LRHMTNQNBBFCSA-NSHDSACASA-N 2 2 276.377 -0.597 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH2+]C1(CO)COC(C)(C)OC1 ZINC000846875928 583391160 /nfs/dbraw/zinc/39/11/60/583391160.db2.gz LRHMTNQNBBFCSA-NSHDSACASA-N 2 2 276.377 -0.597 20 0 CBADLP C[N@H+](CCNC(=[NH2+])NCCC[NH+]1CCOCC1)C1CC1 ZINC000848997424 583465558 /nfs/dbraw/zinc/46/55/58/583465558.db2.gz GVQPKVKVEPUFCO-UHFFFAOYSA-N 3 2 283.420 -0.083 20 0 CBADLP C[N@@H+](CCNC(=[NH2+])NCCC[NH+]1CCOCC1)C1CC1 ZINC000848997424 583465561 /nfs/dbraw/zinc/46/55/61/583465561.db2.gz GVQPKVKVEPUFCO-UHFFFAOYSA-N 3 2 283.420 -0.083 20 0 CBADLP C[NH+](C)CC(=O)N1CC[NH+](C[C@@H]2COC(C)(C)O2)CC1 ZINC000851725576 583523581 /nfs/dbraw/zinc/52/35/81/583523581.db2.gz FZKZUBOBPFWYQF-GFCCVEGCSA-N 2 2 285.388 -0.156 20 0 CBADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCCN(C=O)CC1 ZINC000852073219 583536288 /nfs/dbraw/zinc/53/62/88/583536288.db2.gz PSNJXHNPBPLCMC-ZDUSSCGKSA-N 2 2 257.378 -0.148 20 0 CBADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCCN(C=O)CC1 ZINC000852073219 583536290 /nfs/dbraw/zinc/53/62/90/583536290.db2.gz PSNJXHNPBPLCMC-ZDUSSCGKSA-N 2 2 257.378 -0.148 20 0 CBADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCCN(C=O)CC1 ZINC000852073219 583536292 /nfs/dbraw/zinc/53/62/92/583536292.db2.gz PSNJXHNPBPLCMC-ZDUSSCGKSA-N 2 2 257.378 -0.148 20 0 CBADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCCN(C=O)CC1 ZINC000852073219 583536293 /nfs/dbraw/zinc/53/62/93/583536293.db2.gz PSNJXHNPBPLCMC-ZDUSSCGKSA-N 2 2 257.378 -0.148 20 0 CBADLP O=C1OCCN1[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000852433847 583545836 /nfs/dbraw/zinc/54/58/36/583545836.db2.gz XSOKJEYJUUSQIL-OLZOCXBDSA-N 2 2 283.372 -0.030 20 0 CBADLP O=C1OCCN1[C@@H]1CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000852433847 583545838 /nfs/dbraw/zinc/54/58/38/583545838.db2.gz XSOKJEYJUUSQIL-OLZOCXBDSA-N 2 2 283.372 -0.030 20 0 CBADLP C[N@H+](C[C@@H](O)C[NH+]1CCCC1)C[C@@H]1COCCO1 ZINC000852494792 583547682 /nfs/dbraw/zinc/54/76/82/583547682.db2.gz FNMZLZWHAMCJBX-CHWSQXEVSA-N 2 2 258.362 -0.210 20 0 CBADLP C[N@@H+](C[C@@H](O)C[NH+]1CCCC1)C[C@@H]1COCCO1 ZINC000852494792 583547683 /nfs/dbraw/zinc/54/76/83/583547683.db2.gz FNMZLZWHAMCJBX-CHWSQXEVSA-N 2 2 258.362 -0.210 20 0 CBADLP C[N@@H+]1CCN(C(=O)C=C2CC[NH2+]CC2)[C@@H](C[NH3+])C1 ZINC000852798258 583553236 /nfs/dbraw/zinc/55/32/36/583553236.db2.gz HSUPODPVHZWNQT-LBPRGKRZSA-N 3 2 252.362 -0.603 20 0 CBADLP C[N@H+]1CCN(C(=O)C=C2CC[NH2+]CC2)[C@@H](C[NH3+])C1 ZINC000852798258 583553237 /nfs/dbraw/zinc/55/32/37/583553237.db2.gz HSUPODPVHZWNQT-LBPRGKRZSA-N 3 2 252.362 -0.603 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@]2(F)CC[NH2+]C2)[C@H](C)CO1 ZINC000852847535 583560215 /nfs/dbraw/zinc/56/02/15/583560215.db2.gz SWEBJBBYQUKUTD-WZRBSPASSA-N 2 2 273.352 -0.087 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@]2(F)CC[NH2+]C2)[C@H](C)CO1 ZINC000852847535 583560216 /nfs/dbraw/zinc/56/02/16/583560216.db2.gz SWEBJBBYQUKUTD-WZRBSPASSA-N 2 2 273.352 -0.087 20 0 CBADLP O=C(N1CC[NH+]([C@@H]2CCOC2)CC1)[C@@]1(F)CC[NH2+]C1 ZINC000852853579 583561145 /nfs/dbraw/zinc/56/11/45/583561145.db2.gz JWCFOLJOZKRFLO-DGCLKSJQSA-N 2 2 271.336 -0.379 20 0 CBADLP [NH3+]C[C@H]1CC(C(=O)NCCCn2cc[nH+]c2)=NO1 ZINC000852854267 583561230 /nfs/dbraw/zinc/56/12/30/583561230.db2.gz BBHKAMDPRBDSFA-SECBINFHSA-N 2 2 251.290 -0.507 20 0 CBADLP O=C(N1CC[NH+]([C@H]2CCOC2)CC1)[C@]1(F)CC[NH2+]C1 ZINC000852853578 583561244 /nfs/dbraw/zinc/56/12/44/583561244.db2.gz JWCFOLJOZKRFLO-AAEUAGOBSA-N 2 2 271.336 -0.379 20 0 CBADLP CCOCC[NH+]1CCN(C(=O)C2=NO[C@@H](C[NH3+])C2)CC1 ZINC000852858341 583561882 /nfs/dbraw/zinc/56/18/82/583561882.db2.gz ZGTDRPIKQDIGCE-LLVKDONJSA-N 2 2 284.360 -0.729 20 0 CBADLP [NH3+]C[C@H]1CC(C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)=NO1 ZINC000852860763 583562423 /nfs/dbraw/zinc/56/24/23/583562423.db2.gz JQDHZOIHMMHMQW-VXGBXAGGSA-N 2 2 296.371 -0.587 20 0 CBADLP CN(CCCn1cc[nH+]c1)C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852887785 583569127 /nfs/dbraw/zinc/56/91/27/583569127.db2.gz BKLFKQUWONPOLV-JTQLQIEISA-N 2 2 265.317 -0.165 20 0 CBADLP COC(=O)[C@@]1(F)CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000852897794 583571895 /nfs/dbraw/zinc/57/18/95/583571895.db2.gz MWOPYFIDARHFSC-JOYOIKCWSA-N 2 2 275.324 -0.621 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)CO[C@H]2CCC[NH2+]C2)[C@@H](C)CO1 ZINC000852902559 583572588 /nfs/dbraw/zinc/57/25/88/583572588.db2.gz IBQZNZUSSIZCMZ-MJBXVCDLSA-N 2 2 299.415 -0.020 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)CO[C@H]2CCC[NH2+]C2)[C@@H](C)CO1 ZINC000852902559 583572589 /nfs/dbraw/zinc/57/25/89/583572589.db2.gz IBQZNZUSSIZCMZ-MJBXVCDLSA-N 2 2 299.415 -0.020 20 0 CBADLP C[C@H](NC(=O)C1=NO[C@H](C[NH3+])C1)c1[nH+]ccn1C ZINC000852916901 583574830 /nfs/dbraw/zinc/57/48/30/583574830.db2.gz CUVJORHSBBJWEV-YUMQZZPRSA-N 2 2 251.290 -0.299 20 0 CBADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NCC12CC(C1)C[NH2+]2 ZINC000854229922 583597613 /nfs/dbraw/zinc/59/76/13/583597613.db2.gz AMYDQKIAEMBWKC-PCQVFGIUSA-N 2 2 253.346 -0.378 20 0 CBADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NCC12CC(C1)C[NH2+]2 ZINC000854229923 583597659 /nfs/dbraw/zinc/59/76/59/583597659.db2.gz AMYDQKIAEMBWKC-QRVCZOOMSA-N 2 2 253.346 -0.378 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1CCC[N@H+]1CCCO ZINC000854689204 583616441 /nfs/dbraw/zinc/61/64/41/583616441.db2.gz AODIIQLMMQQTNG-NSHDSACASA-N 2 2 266.345 -0.085 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000854689204 583616444 /nfs/dbraw/zinc/61/64/44/583616444.db2.gz AODIIQLMMQQTNG-NSHDSACASA-N 2 2 266.345 -0.085 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)CC[NH+]2CCOCC2)[C@H](C)CO1 ZINC000855409898 583638105 /nfs/dbraw/zinc/63/81/05/583638105.db2.gz HGJFFTGLPXPRHV-ZIAGYGMSSA-N 2 2 299.415 -0.066 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)CC[NH+]2CCOCC2)[C@H](C)CO1 ZINC000855409898 583638108 /nfs/dbraw/zinc/63/81/08/583638108.db2.gz HGJFFTGLPXPRHV-ZIAGYGMSSA-N 2 2 299.415 -0.066 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1CCNC(=O)CC1 ZINC000855414996 583638578 /nfs/dbraw/zinc/63/85/78/583638578.db2.gz PHVRSLXGGBPABH-CYBMUJFWSA-N 2 2 298.431 -0.098 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1CCNC(=O)CC1 ZINC000855414996 583638580 /nfs/dbraw/zinc/63/85/80/583638580.db2.gz PHVRSLXGGBPABH-CYBMUJFWSA-N 2 2 298.431 -0.098 20 0 CBADLP CCn1ncc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)n1 ZINC000855414975 583638619 /nfs/dbraw/zinc/63/86/19/583638619.db2.gz OPONDNIHQYWZOH-UHFFFAOYSA-N 2 2 282.392 -0.089 20 0 CBADLP CCn1ncc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)n1 ZINC000855414975 583638621 /nfs/dbraw/zinc/63/86/21/583638621.db2.gz OPONDNIHQYWZOH-UHFFFAOYSA-N 2 2 282.392 -0.089 20 0 CBADLP C[C@@H]1OC(=O)N[C@@H]1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000855415560 583638868 /nfs/dbraw/zinc/63/88/68/583638868.db2.gz ZIGDKMPIHAZBCI-QWRGUYRKSA-N 2 2 286.376 -0.517 20 0 CBADLP C[C@@H]1OC(=O)N[C@@H]1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000855415560 583638872 /nfs/dbraw/zinc/63/88/72/583638872.db2.gz ZIGDKMPIHAZBCI-QWRGUYRKSA-N 2 2 286.376 -0.517 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1CSC(=O)N1 ZINC000855417232 583639047 /nfs/dbraw/zinc/63/90/47/583639047.db2.gz VYSUGHFWNVJHQT-SNVBAGLBSA-N 2 2 288.417 -0.189 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1CSC(=O)N1 ZINC000855417232 583639049 /nfs/dbraw/zinc/63/90/49/583639049.db2.gz VYSUGHFWNVJHQT-SNVBAGLBSA-N 2 2 288.417 -0.189 20 0 CBADLP CCn1ncc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)n1 ZINC000858226097 583688322 /nfs/dbraw/zinc/68/83/22/583688322.db2.gz MEYPLGHDMCFZTP-LBPRGKRZSA-N 2 2 280.376 -0.273 20 0 CBADLP CCn1ncc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)n1 ZINC000858226097 583688323 /nfs/dbraw/zinc/68/83/23/583688323.db2.gz MEYPLGHDMCFZTP-LBPRGKRZSA-N 2 2 280.376 -0.273 20 0 CBADLP Cn1cnc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000858224879 583688459 /nfs/dbraw/zinc/68/84/59/583688459.db2.gz VRFJFRXQLUQVMG-LBPRGKRZSA-N 2 2 265.361 -0.151 20 0 CBADLP Cn1cnc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000858224879 583688461 /nfs/dbraw/zinc/68/84/61/583688461.db2.gz VRFJFRXQLUQVMG-LBPRGKRZSA-N 2 2 265.361 -0.151 20 0 CBADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@H]2CCOC(=O)N2)CC1 ZINC000859884284 583731843 /nfs/dbraw/zinc/73/18/43/583731843.db2.gz WMLIHCPNVOJYLF-GFCCVEGCSA-N 2 2 298.387 -0.373 20 0 CBADLP C[C@H]([NH3+])CN(C)C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000861573347 583771323 /nfs/dbraw/zinc/77/13/23/583771323.db2.gz GCBZTTDSRKBTEE-RYUDHWBXSA-N 2 2 271.409 -0.389 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CCC[C@H](C[NH3+])C1 ZINC000861682715 583777237 /nfs/dbraw/zinc/77/72/37/583777237.db2.gz YXHZUJGNLXWUAE-NEPJUHHUSA-N 2 2 270.377 -0.303 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N1CCC[C@H](C[NH3+])C1 ZINC000861682715 583777239 /nfs/dbraw/zinc/77/72/39/583777239.db2.gz YXHZUJGNLXWUAE-NEPJUHHUSA-N 2 2 270.377 -0.303 20 0 CBADLP O=C(CC[NH+]1CCOCC1)NC1CC([NH+]2CCOCC2)C1 ZINC000862105331 583799910 /nfs/dbraw/zinc/79/99/10/583799910.db2.gz MQONOVFUPNDGCQ-UHFFFAOYSA-N 2 2 297.399 -0.312 20 0 CBADLP Cc1cc(NNC(=S)NCC[NH+]2CCOCC2)cc[nH+]1 ZINC000863205657 583833547 /nfs/dbraw/zinc/83/35/47/583833547.db2.gz KVYVDDWULBPEFA-UHFFFAOYSA-N 2 2 295.412 -0.065 20 0 CBADLP CON(C)C(=O)[C@H](C)[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000863548718 583846205 /nfs/dbraw/zinc/84/62/05/583846205.db2.gz SBQOFVFORRVRQF-DCAQKATOSA-N 2 2 259.350 -0.249 20 0 CBADLP O=S(=O)(CC[NH2+]C[C@@H](O)C[NH+]1CCCC1)C1CC1 ZINC000863556471 583846758 /nfs/dbraw/zinc/84/67/58/583846758.db2.gz DNNYFMVWIRMYLW-LLVKDONJSA-N 2 2 276.402 -0.390 20 0 CBADLP C[C@@H]([NH2+]C1CC1)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000863583044 583847712 /nfs/dbraw/zinc/84/77/12/583847712.db2.gz LTNHHOGUXGDTIN-DGCLKSJQSA-N 2 2 285.388 -0.722 20 0 CBADLP CON(C)C(=O)[C@@H](C)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000863587581 583847958 /nfs/dbraw/zinc/84/79/58/583847958.db2.gz ZBHCAFNLYXVPPH-MNOVXSKESA-N 2 2 259.350 -0.559 20 0 CBADLP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000863751725 583852549 /nfs/dbraw/zinc/85/25/49/583852549.db2.gz LCAFDMNYXSOQKE-SNVBAGLBSA-N 2 2 268.361 -0.901 20 0 CBADLP O=C1OC[C@]2(C[NH2+]Cc3c[nH+]c[nH]3)COCCN12 ZINC000864054611 583866193 /nfs/dbraw/zinc/86/61/93/583866193.db2.gz WQNYXOYAYUSORV-NSHDSACASA-N 2 2 252.274 -0.280 20 0 CBADLP C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000864056588 583866610 /nfs/dbraw/zinc/86/66/10/583866610.db2.gz FZBDJYNNDLYICC-KKZNHRDASA-N 2 2 252.318 -0.006 20 0 CBADLP C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000864056588 583866612 /nfs/dbraw/zinc/86/66/12/583866612.db2.gz FZBDJYNNDLYICC-KKZNHRDASA-N 2 2 252.318 -0.006 20 0 CBADLP C[N@@H+]1CCN(C(=O)C2C[NH+](C3CCOCC3)C2)C[C@H]1CO ZINC000864077302 583871420 /nfs/dbraw/zinc/87/14/20/583871420.db2.gz DTINZLDYYSKKTR-AWEZNQCLSA-N 2 2 297.399 -0.768 20 0 CBADLP C[N@H+]1CCN(C(=O)C2C[NH+](C3CCOCC3)C2)C[C@H]1CO ZINC000864077302 583871422 /nfs/dbraw/zinc/87/14/22/583871422.db2.gz DTINZLDYYSKKTR-AWEZNQCLSA-N 2 2 297.399 -0.768 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000864080527 583872474 /nfs/dbraw/zinc/87/24/74/583872474.db2.gz HCBOXLHZQXUDOC-OLZOCXBDSA-N 2 2 283.372 -0.846 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000864080527 583872475 /nfs/dbraw/zinc/87/24/75/583872475.db2.gz HCBOXLHZQXUDOC-OLZOCXBDSA-N 2 2 283.372 -0.846 20 0 CBADLP C[NH+]1CCN(CCNC(=O)/C=C\C[NH+]2CCOCC2)CC1 ZINC000864658468 583886001 /nfs/dbraw/zinc/88/60/01/583886001.db2.gz FQEMNHZOGARPRP-IHWYPQMZSA-N 2 2 296.415 -0.762 20 0 CBADLP C[C@@H](CNC(=O)/C=C/C[NH+]1CCOCC1)[NH+](C)C ZINC000864827254 583890216 /nfs/dbraw/zinc/89/02/16/583890216.db2.gz FGLRMMAZBSVJQD-ITKZLYELSA-N 2 2 255.362 -0.059 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)N2CCC[NH+](CC(N)=O)CC2)CC[N@@H+]1C ZINC000865163446 583898952 /nfs/dbraw/zinc/89/89/52/583898952.db2.gz LSRPQTNOOWIMJS-QWHCGFSZSA-N 2 2 296.415 -0.264 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)N2CCC[NH+](CC(N)=O)CC2)CC[N@H+]1C ZINC000865163446 583898954 /nfs/dbraw/zinc/89/89/54/583898954.db2.gz LSRPQTNOOWIMJS-QWHCGFSZSA-N 2 2 296.415 -0.264 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)N2CCC[N@H+](CC(N)=O)CC2)CC[NH+]1C ZINC000865163446 583898956 /nfs/dbraw/zinc/89/89/56/583898956.db2.gz LSRPQTNOOWIMJS-QWHCGFSZSA-N 2 2 296.415 -0.264 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)N2CCC[N@@H+](CC(N)=O)CC2)CC[NH+]1C ZINC000865163446 583898958 /nfs/dbraw/zinc/89/89/58/583898958.db2.gz LSRPQTNOOWIMJS-QWHCGFSZSA-N 2 2 296.415 -0.264 20 0 CBADLP COCCN(CC[NH+](C)C)C(=O)/C=C/C[NH+]1CCOCC1 ZINC000865179897 583899648 /nfs/dbraw/zinc/89/96/48/583899648.db2.gz HJEUOVHIHFMFJL-SNAWJCMRSA-N 2 2 299.415 -0.089 20 0 CBADLP [NH3+][C@H]1C[C@@H](CNC(=O)NCC[NH+]2CCOCC2)C1 ZINC000865343997 583903708 /nfs/dbraw/zinc/90/37/08/583903708.db2.gz WUFHVGIXUDOHSX-PHIMTYICSA-N 2 2 256.350 -0.645 20 0 CBADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000865706473 583907881 /nfs/dbraw/zinc/90/78/81/583907881.db2.gz XAGPVBYTDBDHSO-NQHOJNORSA-N 2 2 296.415 -0.763 20 0 CBADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000865706473 583907883 /nfs/dbraw/zinc/90/78/83/583907883.db2.gz XAGPVBYTDBDHSO-NQHOJNORSA-N 2 2 296.415 -0.763 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@]12COC(=O)N1CCOC2 ZINC000865770602 583908985 /nfs/dbraw/zinc/90/89/85/583908985.db2.gz SWXCQHNGHCPRHT-MDZLAQPJSA-N 2 2 269.345 -0.253 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@]12COC(=O)N1CCOC2 ZINC000865770602 583908987 /nfs/dbraw/zinc/90/89/87/583908987.db2.gz SWXCQHNGHCPRHT-MDZLAQPJSA-N 2 2 269.345 -0.253 20 0 CBADLP COCC[NH+]1CCN(C(=O)/C=C/C[NH+]2CCOCC2)CC1 ZINC000865787482 583909220 /nfs/dbraw/zinc/90/92/20/583909220.db2.gz NXKWLCALNRLQRX-NSCUHMNNSA-N 2 2 297.399 -0.335 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@]12COCCN1C(=O)COC2 ZINC000865798262 583909723 /nfs/dbraw/zinc/90/97/23/583909723.db2.gz RJXIAXGXNMCDHG-MBNYWOFBSA-N 2 2 283.372 -0.846 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@]12COCCN1C(=O)COC2 ZINC000865798262 583909724 /nfs/dbraw/zinc/90/97/24/583909724.db2.gz RJXIAXGXNMCDHG-MBNYWOFBSA-N 2 2 283.372 -0.846 20 0 CBADLP CN(C(=O)[C@@H](O)c1c[nH+]c[nH]1)[C@@H]1CCC[N@H+](C)C1 ZINC000866068618 583915474 /nfs/dbraw/zinc/91/54/74/583915474.db2.gz UGBSPDWDJUVFKY-KOLCDFICSA-N 2 2 252.318 -0.004 20 0 CBADLP CN(C(=O)[C@@H](O)c1c[nH+]c[nH]1)[C@@H]1CCC[N@@H+](C)C1 ZINC000866068618 583915476 /nfs/dbraw/zinc/91/54/76/583915476.db2.gz UGBSPDWDJUVFKY-KOLCDFICSA-N 2 2 252.318 -0.004 20 0 CBADLP CNC(=O)NC[C@H]1CCCC[N@@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000866685065 583927005 /nfs/dbraw/zinc/92/70/05/583927005.db2.gz BIXOCMXKYRIBMW-NEPJUHHUSA-N 2 2 270.377 -0.242 20 0 CBADLP CNC(=O)NC[C@H]1CCCC[N@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000866685065 583927007 /nfs/dbraw/zinc/92/70/07/583927007.db2.gz BIXOCMXKYRIBMW-NEPJUHHUSA-N 2 2 270.377 -0.242 20 0 CBADLP COC(=O)C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866711349 583928116 /nfs/dbraw/zinc/92/81/16/583928116.db2.gz IUUSQPWDIQPLEK-AEJSXWLSSA-N 2 2 269.301 -0.974 20 0 CBADLP COC(=O)C[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866711349 583928117 /nfs/dbraw/zinc/92/81/17/583928117.db2.gz IUUSQPWDIQPLEK-AEJSXWLSSA-N 2 2 269.301 -0.974 20 0 CBADLP CNC(=O)NC(=O)CC[N@@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866723114 583928886 /nfs/dbraw/zinc/92/88/86/583928886.db2.gz DKQYCMFGLCMNOL-UWVGGRQHSA-N 2 2 254.334 -0.342 20 0 CBADLP CNC(=O)NC(=O)CC[N@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866723114 583928889 /nfs/dbraw/zinc/92/88/89/583928889.db2.gz DKQYCMFGLCMNOL-UWVGGRQHSA-N 2 2 254.334 -0.342 20 0 CBADLP C[NH+](C)C1(CS(=O)(=O)N2CC[NH2+]C[C@@H]2C(F)F)CC1 ZINC000866765001 583931552 /nfs/dbraw/zinc/93/15/52/583931552.db2.gz TWZFVDRTBIIZOY-SECBINFHSA-N 2 2 297.371 -0.051 20 0 CBADLP CC[C@@H](CO)[NH+]1CCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)CC1 ZINC000866810864 583933695 /nfs/dbraw/zinc/93/36/95/583933695.db2.gz XIPSFVSWNOGFNO-CMPLNLGQSA-N 2 2 282.344 -0.642 20 0 CBADLP C[N@@H+]1CCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)C(C)(C)C1 ZINC000867122034 583941392 /nfs/dbraw/zinc/94/13/92/583941392.db2.gz JWMSJXNYANCPQO-SNVBAGLBSA-N 2 2 252.318 -0.004 20 0 CBADLP C[N@H+]1CCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)C(C)(C)C1 ZINC000867122034 583941393 /nfs/dbraw/zinc/94/13/93/583941393.db2.gz JWMSJXNYANCPQO-SNVBAGLBSA-N 2 2 252.318 -0.004 20 0 CBADLP C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000867184863 583943162 /nfs/dbraw/zinc/94/31/62/583943162.db2.gz BUPAGJATNZSKDQ-FXPVBKGRSA-N 2 2 252.318 -0.006 20 0 CBADLP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000867184863 583943164 /nfs/dbraw/zinc/94/31/64/583943164.db2.gz BUPAGJATNZSKDQ-FXPVBKGRSA-N 2 2 252.318 -0.006 20 0 CBADLP O=C([C@H](O)c1c[nH+]c[nH]1)N1CC[NH+]2CCC1CC2 ZINC000867697274 583960948 /nfs/dbraw/zinc/96/09/48/583960948.db2.gz DDDZZWZKHJGTOP-LLVKDONJSA-N 2 2 250.302 -0.250 20 0 CBADLP C[N@H+]1C[C@H]2CN(C(=O)[C@@H](O)c3c[nH+]c[nH]3)C[C@H]2C1 ZINC000867873855 583965629 /nfs/dbraw/zinc/96/56/29/583965629.db2.gz RWWMLABILGGBGU-NGZCFLSTSA-N 2 2 250.302 -0.537 20 0 CBADLP C[N@@H+]1C[C@H]2CN(C(=O)[C@@H](O)c3c[nH+]c[nH]3)C[C@H]2C1 ZINC000867873855 583965630 /nfs/dbraw/zinc/96/56/30/583965630.db2.gz RWWMLABILGGBGU-NGZCFLSTSA-N 2 2 250.302 -0.537 20 0 CBADLP CN(C(=O)Nc1cc2n(n1)CC[N@H+](C)C2)C1C[NH2+]C1 ZINC000868206501 583972863 /nfs/dbraw/zinc/97/28/63/583972863.db2.gz YXACALNXOPIWTF-UHFFFAOYSA-N 2 2 264.333 -0.236 20 0 CBADLP CN(C(=O)Nc1cc2n(n1)CC[N@@H+](C)C2)C1C[NH2+]C1 ZINC000868206501 583972865 /nfs/dbraw/zinc/97/28/65/583972865.db2.gz YXACALNXOPIWTF-UHFFFAOYSA-N 2 2 264.333 -0.236 20 0 CBADLP C[NH+](C)CC1CN(C(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000868631547 583983057 /nfs/dbraw/zinc/98/30/57/583983057.db2.gz VYDPYJCTWMDEDP-ONEGZZNKSA-N 2 2 267.373 -0.105 20 0 CBADLP O=C(/C=C/C[NH+]1CCOCC1)NCC[NH+]1CCC(O)CC1 ZINC000868758185 583986088 /nfs/dbraw/zinc/98/60/88/583986088.db2.gz NLHNULLJOYIAAY-OWOJBTEDSA-N 2 2 297.399 -0.552 20 0 CBADLP O=C(/C=C\C[NH+]1CCOCC1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000869149687 583994157 /nfs/dbraw/zinc/99/41/57/583994157.db2.gz SOFUGMWMRBFLEB-DDGIKZQJSA-N 2 2 295.383 -0.848 20 0 CBADLP O=C(/C=C\C[NH+]1CCOCC1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000869149687 583994159 /nfs/dbraw/zinc/99/41/59/583994159.db2.gz SOFUGMWMRBFLEB-DDGIKZQJSA-N 2 2 295.383 -0.848 20 0 CBADLP CCN(C(=O)[C@@H](O)c1c[nH+]c[nH]1)[C@H]1CC[N@H+](C)C1 ZINC000869240161 583995978 /nfs/dbraw/zinc/99/59/78/583995978.db2.gz XDKIDKGCIOCEQQ-ONGXEEELSA-N 2 2 252.318 -0.004 20 0 CBADLP CCN(C(=O)[C@@H](O)c1c[nH+]c[nH]1)[C@H]1CC[N@@H+](C)C1 ZINC000869240161 583995980 /nfs/dbraw/zinc/99/59/80/583995980.db2.gz XDKIDKGCIOCEQQ-ONGXEEELSA-N 2 2 252.318 -0.004 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1CCC(=O)O1 ZINC000869242328 583996054 /nfs/dbraw/zinc/99/60/54/583996054.db2.gz JDICAMJLPRTUNT-LLVKDONJSA-N 2 2 271.361 -0.308 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1CCC(=O)O1 ZINC000869242328 583996056 /nfs/dbraw/zinc/99/60/56/583996056.db2.gz JDICAMJLPRTUNT-LLVKDONJSA-N 2 2 271.361 -0.308 20 0 CBADLP CC[C@H](C(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1)[NH+](C)C ZINC000870066075 584008422 /nfs/dbraw/zinc/00/84/22/584008422.db2.gz CEUPWIVKJPHNKY-UONOGXRCSA-N 2 2 299.415 -0.114 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)CC[NH2+]CC2CC2)CC1 ZINC000870918492 584021357 /nfs/dbraw/zinc/02/13/57/584021357.db2.gz JGNKCPZVLLRWTG-UHFFFAOYSA-N 2 2 296.415 -0.344 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@H]2CC[C@@H]([NH3+])CC2)CC1 ZINC000870918316 584021366 /nfs/dbraw/zinc/02/13/66/584021366.db2.gz HHBPFDRWNHXXIJ-OKILXGFUSA-N 2 2 296.415 -0.216 20 0 CBADLP C[N@@H+]1CCn2nc(NC(=O)[C@]3(F)CC[NH2+]C3)cc2C1 ZINC000871011033 584025158 /nfs/dbraw/zinc/02/51/58/584025158.db2.gz MUQHQMZCSSZDNP-LBPRGKRZSA-N 2 2 267.308 -0.031 20 0 CBADLP C[N@H+]1CCn2nc(NC(=O)[C@]3(F)CC[NH2+]C3)cc2C1 ZINC000871011033 584025160 /nfs/dbraw/zinc/02/51/60/584025160.db2.gz MUQHQMZCSSZDNP-LBPRGKRZSA-N 2 2 267.308 -0.031 20 0 CBADLP COC[C@H]([NH3+])C(=O)N1CCN(C)c2[nH+]cccc2C1 ZINC000871021432 584025179 /nfs/dbraw/zinc/02/51/79/584025179.db2.gz RWSXPDYVDRWILG-NSHDSACASA-N 2 2 264.329 -0.166 20 0 CBADLP COCCN(C)C(=[NH2+])NCC[N@@H+]1CCCOCC1 ZINC000871604903 584043745 /nfs/dbraw/zinc/04/37/45/584043745.db2.gz INLZIYLPKJGDHB-UHFFFAOYSA-N 2 2 258.366 -0.189 20 0 CBADLP COCCN(C)C(=[NH2+])NCC[N@H+]1CCCOCC1 ZINC000871604903 584043746 /nfs/dbraw/zinc/04/37/46/584043746.db2.gz INLZIYLPKJGDHB-UHFFFAOYSA-N 2 2 258.366 -0.189 20 0 CBADLP O=C(CC[N@@H+]1CCO[C@H](C(F)F)C1)N1CC[NH2+]CC1 ZINC000872146023 584047937 /nfs/dbraw/zinc/04/79/37/584047937.db2.gz CDYIBPVWEPKEEK-JTQLQIEISA-N 2 2 277.315 -0.226 20 0 CBADLP O=C(CC[N@H+]1CCO[C@H](C(F)F)C1)N1CC[NH2+]CC1 ZINC000872146023 584047938 /nfs/dbraw/zinc/04/79/38/584047938.db2.gz CDYIBPVWEPKEEK-JTQLQIEISA-N 2 2 277.315 -0.226 20 0 CBADLP CC(C)(O)C[C@@H](O)C[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000872214779 584050434 /nfs/dbraw/zinc/05/04/34/584050434.db2.gz DXWZXRMALDWGLU-CHWSQXEVSA-N 2 2 274.405 -0.055 20 0 CBADLP CC(C)(O)C[C@@H](O)C[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000872214779 584050436 /nfs/dbraw/zinc/05/04/36/584050436.db2.gz DXWZXRMALDWGLU-CHWSQXEVSA-N 2 2 274.405 -0.055 20 0 CBADLP CCOC(=O)[C@H]1[NH2+]CC[C@@H]1N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000873235798 584069278 /nfs/dbraw/zinc/06/92/78/584069278.db2.gz RBXJTZOAJWMTDE-AVGNSLFASA-N 2 2 299.415 -0.285 20 0 CBADLP CCOC(=O)[C@H]1[NH2+]CC[C@@H]1N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000873235798 584069279 /nfs/dbraw/zinc/06/92/79/584069279.db2.gz RBXJTZOAJWMTDE-AVGNSLFASA-N 2 2 299.415 -0.285 20 0 CBADLP C[C@H]([NH2+]C[C@@]12COCCN1C(=O)COC2)[C@H]1CCCC[NH2+]1 ZINC000873266846 584069838 /nfs/dbraw/zinc/06/98/38/584069838.db2.gz RINWLKQMUMQAJY-GUTXKFCHSA-N 2 2 297.399 -0.266 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C[NH+]1CCCC1 ZINC000874041012 584076055 /nfs/dbraw/zinc/07/60/55/584076055.db2.gz KLHBYWZUCJGUPL-LBPRGKRZSA-N 2 2 255.362 -0.081 20 0 CBADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC000874702889 584088945 /nfs/dbraw/zinc/08/89/45/584088945.db2.gz PFZJTMHLSZBNNL-ZIAGYGMSSA-N 2 2 299.415 -0.066 20 0 CBADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC000874702889 584088948 /nfs/dbraw/zinc/08/89/48/584088948.db2.gz PFZJTMHLSZBNNL-ZIAGYGMSSA-N 2 2 299.415 -0.066 20 0 CBADLP CC[C@@H]1COCC[NH+]1CCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000874702889 584088950 /nfs/dbraw/zinc/08/89/50/584088950.db2.gz PFZJTMHLSZBNNL-ZIAGYGMSSA-N 2 2 299.415 -0.066 20 0 CBADLP CC[C@@H]1COCC[NH+]1CCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000874702889 584088952 /nfs/dbraw/zinc/08/89/52/584088952.db2.gz PFZJTMHLSZBNNL-ZIAGYGMSSA-N 2 2 299.415 -0.066 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)N[C@@H]2Cc3c[nH+]cn3C2)CCO1 ZINC000875195238 584100653 /nfs/dbraw/zinc/10/06/53/584100653.db2.gz QCQUHQWNRWOIDB-NWDGAFQWSA-N 2 2 293.371 -0.172 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)N[C@@H]2Cc3c[nH+]cn3C2)CCO1 ZINC000875195238 584100655 /nfs/dbraw/zinc/10/06/55/584100655.db2.gz QCQUHQWNRWOIDB-NWDGAFQWSA-N 2 2 293.371 -0.172 20 0 CBADLP C[NH2+][C@H]1CCN(C(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000876503923 584129917 /nfs/dbraw/zinc/12/99/17/584129917.db2.gz HNMQIGNWVJRMDR-DLGQBQFBSA-N 2 2 253.346 -0.305 20 0 CBADLP O=C(/C=C\C[NH+]1CCOCC1)N1CCC[NH2+]CC1 ZINC000876506001 584129974 /nfs/dbraw/zinc/12/99/74/584129974.db2.gz NBHGIWRUNNJQKH-IWQZZHSRSA-N 2 2 253.346 -0.303 20 0 CBADLP O=C(/C=C/C[NH+]1CCOCC1)NCC1CC[NH2+]CC1 ZINC000876507994 584130174 /nfs/dbraw/zinc/13/01/74/584130174.db2.gz RJYWSQMOPKXHLX-OWOJBTEDSA-N 2 2 267.373 -0.009 20 0 CBADLP C[C@@H](C(=O)N1CCC[C@@H](C[NH3+])C1)N1CC[NH2+]CC1=O ZINC000876513712 584130471 /nfs/dbraw/zinc/13/04/71/584130471.db2.gz OYSJKMLUFVFUDP-QWRGUYRKSA-N 2 2 268.361 -0.996 20 0 CBADLP C[C@@H]1C[NH2+]CCN1C(=O)/C=C\C[NH+]1CCOCC1 ZINC000876515174 584130702 /nfs/dbraw/zinc/13/07/02/584130702.db2.gz MEUICUAVPCIEKR-ZZKXABKFSA-N 2 2 253.346 -0.305 20 0 CBADLP C[C@@H]1CN(C(=O)/C=C/C[NH+]2CCOCC2)CC[NH2+]1 ZINC000876529042 584131560 /nfs/dbraw/zinc/13/15/60/584131560.db2.gz CZVWVQNCUOCRFD-QAVQXKDTSA-N 2 2 253.346 -0.305 20 0 CBADLP CC1(C)[C@H](C(=O)NCC[NH+]2CCOCC2)C[C@@H]1[NH3+] ZINC000876707762 584140449 /nfs/dbraw/zinc/14/04/49/584140449.db2.gz QPOKINUHZPNXQX-QWRGUYRKSA-N 2 2 255.362 -0.192 20 0 CBADLP C[NH+](C)C[C@H](N)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000876733236 584141643 /nfs/dbraw/zinc/14/16/43/584141643.db2.gz SDRLYLGRGXHVMZ-STQMWFEESA-N 2 2 284.404 -0.802 20 0 CBADLP CC[N@H+](CCNC(=O)[C@H](C)N1CC[NH2+]CC1=O)C(C)C ZINC000876748327 584142383 /nfs/dbraw/zinc/14/23/83/584142383.db2.gz BGGVBHVTSMHALA-LBPRGKRZSA-N 2 2 284.404 -0.347 20 0 CBADLP CC[N@@H+](CCNC(=O)[C@H](C)N1CC[NH2+]CC1=O)C(C)C ZINC000876748327 584142385 /nfs/dbraw/zinc/14/23/85/584142385.db2.gz BGGVBHVTSMHALA-LBPRGKRZSA-N 2 2 284.404 -0.347 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876754575 584142923 /nfs/dbraw/zinc/14/29/23/584142923.db2.gz SWGCQRVZMAXZIH-UTUOFQBUSA-N 2 2 273.352 -0.229 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876754575 584142924 /nfs/dbraw/zinc/14/29/24/584142924.db2.gz SWGCQRVZMAXZIH-UTUOFQBUSA-N 2 2 273.352 -0.229 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F)[NH+]1CCN(C)CC1 ZINC000876781330 584144197 /nfs/dbraw/zinc/14/41/97/584144197.db2.gz GEHNMBSNIIHINZ-DCAQKATOSA-N 2 2 290.358 -0.422 20 0 CBADLP CN1CC[N@H+](C)[C@H](CNC(=O)/C=C/[C@@H]2CCC[NH2+]C2)C1 ZINC000876784083 584144614 /nfs/dbraw/zinc/14/46/14/584144614.db2.gz WKRISQISEIZFQB-BUHQSOCUSA-N 2 2 280.416 -0.096 20 0 CBADLP CN1CC[N@@H+](C)[C@H](CNC(=O)/C=C/[C@@H]2CCC[NH2+]C2)C1 ZINC000876784083 584144615 /nfs/dbraw/zinc/14/46/15/584144615.db2.gz WKRISQISEIZFQB-BUHQSOCUSA-N 2 2 280.416 -0.096 20 0 CBADLP O=C(/C=C\C[NH+]1CCOCC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000876837510 584148434 /nfs/dbraw/zinc/14/84/34/584148434.db2.gz IWBHULHHMLBBKX-JPIVSMNTSA-N 2 2 265.357 -0.447 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)[C@@H](N)C[NH+](C)C)[C@@H](C)CO1 ZINC000876961227 584158681 /nfs/dbraw/zinc/15/86/81/584158681.db2.gz SJZDDMBXHJMATK-SRVKXCTJSA-N 2 2 272.393 -0.899 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)[C@@H](N)C[NH+](C)C)[C@@H](C)CO1 ZINC000876961227 584158683 /nfs/dbraw/zinc/15/86/83/584158683.db2.gz SJZDDMBXHJMATK-SRVKXCTJSA-N 2 2 272.393 -0.899 20 0 CBADLP O=C(/C=C/C[NH+]1CCOCC1)NCC12CC(C1)C[NH2+]2 ZINC000876974909 584159234 /nfs/dbraw/zinc/15/92/34/584159234.db2.gz XPODQHGPAMZEMP-OWOJBTEDSA-N 2 2 265.357 -0.257 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000877036777 584163157 /nfs/dbraw/zinc/16/31/57/584163157.db2.gz VIEZPZNOUSNIKA-NWDGAFQWSA-N 2 2 271.361 -0.798 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000877036777 584163159 /nfs/dbraw/zinc/16/31/59/584163159.db2.gz VIEZPZNOUSNIKA-NWDGAFQWSA-N 2 2 271.361 -0.798 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC000877178424 584169578 /nfs/dbraw/zinc/16/95/78/584169578.db2.gz UZHODBCFJFERJH-LIBFEPKXSA-N 2 2 267.373 -0.195 20 0 CBADLP CNC(=O)NC[C@H]1CCCCN1C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000877200906 584170427 /nfs/dbraw/zinc/17/04/27/584170427.db2.gz UQPXMYZEKLHDGY-VXGBXAGGSA-N 2 2 299.419 -0.425 20 0 CBADLP O=C(N1Cc2ccc[nH+]c2N2CCC[C@H]2C1)C1(O)C[NH2+]C1 ZINC000877263451 584173632 /nfs/dbraw/zinc/17/36/32/584173632.db2.gz AGXWSTSDCZYOOY-LBPRGKRZSA-N 2 2 288.351 -0.273 20 0 CBADLP C[C@H](C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21)N1CC[NH2+]CC1=O ZINC000877273688 584175180 /nfs/dbraw/zinc/17/51/80/584175180.db2.gz QAKDPYCJNCPXJF-UTUOFQBUSA-N 2 2 280.372 -0.840 20 0 CBADLP C[C@]12C[NH2+]C[C@H]1CN(C(=O)/C=C/C[NH+]1CCOCC1)C2 ZINC000877370875 584179725 /nfs/dbraw/zinc/17/97/25/584179725.db2.gz HJAPMEIQQYNHKW-JHJUWLLWSA-N 2 2 279.384 -0.057 20 0 CBADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000877433517 584181029 /nfs/dbraw/zinc/18/10/29/584181029.db2.gz VOUDCLJMIURHFT-VXGBXAGGSA-N 2 2 255.362 -0.035 20 0 CBADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000877433517 584181030 /nfs/dbraw/zinc/18/10/30/584181030.db2.gz VOUDCLJMIURHFT-VXGBXAGGSA-N 2 2 255.362 -0.035 20 0 CBADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)C[NH2+]CCOC ZINC000877432803 584181073 /nfs/dbraw/zinc/18/10/73/584181073.db2.gz HJHQYUHUNZRUTN-LBPRGKRZSA-N 2 2 273.377 -0.551 20 0 CBADLP CC[C@H]1COCC[N@H+]1CCNC(=O)C[NH2+]CCOC ZINC000877432803 584181075 /nfs/dbraw/zinc/18/10/75/584181075.db2.gz HJHQYUHUNZRUTN-LBPRGKRZSA-N 2 2 273.377 -0.551 20 0 CBADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000877433449 584181229 /nfs/dbraw/zinc/18/12/29/584181229.db2.gz SDVGDVAHXHXDBS-UONOGXRCSA-N 2 2 299.415 -0.018 20 0 CBADLP CC[C@H]1COCC[N@H+]1CCNC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000877433449 584181232 /nfs/dbraw/zinc/18/12/32/584181232.db2.gz SDVGDVAHXHXDBS-UONOGXRCSA-N 2 2 299.415 -0.018 20 0 CBADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000877433960 584181684 /nfs/dbraw/zinc/18/16/84/584181684.db2.gz KVGYKJIFQOAHAN-SRVKXCTJSA-N 2 2 255.362 -0.049 20 0 CBADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000877433960 584181686 /nfs/dbraw/zinc/18/16/86/584181686.db2.gz KVGYKJIFQOAHAN-SRVKXCTJSA-N 2 2 255.362 -0.049 20 0 CBADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000877434535 584181968 /nfs/dbraw/zinc/18/19/68/584181968.db2.gz RWPRJKLHLCIHBQ-AGIUHOORSA-N 2 2 285.388 -0.423 20 0 CBADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000877434535 584181970 /nfs/dbraw/zinc/18/19/70/584181970.db2.gz RWPRJKLHLCIHBQ-AGIUHOORSA-N 2 2 285.388 -0.423 20 0 CBADLP Cc1[nH+]cc(C[N@@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)n1C ZINC000877719298 584184347 /nfs/dbraw/zinc/18/43/47/584184347.db2.gz VAEMUSZLCJIOET-PHIMTYICSA-N 2 2 262.313 -0.225 20 0 CBADLP Cc1[nH+]cc(C[N@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)n1C ZINC000877719298 584184348 /nfs/dbraw/zinc/18/43/48/584184348.db2.gz VAEMUSZLCJIOET-PHIMTYICSA-N 2 2 262.313 -0.225 20 0 CBADLP C[C@@H]1C[NH+]=C(N2CC[NH+](CCn3cnnn3)CC2)S1 ZINC000878263737 584198145 /nfs/dbraw/zinc/19/81/45/584198145.db2.gz SZWKCSCIYPINFH-SNVBAGLBSA-N 2 2 281.389 -0.218 20 0 CBADLP NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+](CCn2cnnn2)CC1 ZINC000878292256 584198365 /nfs/dbraw/zinc/19/83/65/584198365.db2.gz HUXLSWGHKUGGJM-GFCCVEGCSA-N 2 2 293.375 -0.913 20 0 CBADLP NC(=O)[C@H]1CCC[N@H+]1C1CC[NH+](CCn2cnnn2)CC1 ZINC000878292256 584198367 /nfs/dbraw/zinc/19/83/67/584198367.db2.gz HUXLSWGHKUGGJM-GFCCVEGCSA-N 2 2 293.375 -0.913 20 0 CBADLP C[C@H](O)C[C@H]1COCC[N@@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000878436837 584202984 /nfs/dbraw/zinc/20/29/84/584202984.db2.gz FWSLWLFBBRRSPB-JSGCOSHPSA-N 2 2 299.415 -0.332 20 0 CBADLP C[C@H](O)C[C@H]1COCC[N@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000878436837 584202985 /nfs/dbraw/zinc/20/29/85/584202985.db2.gz FWSLWLFBBRRSPB-JSGCOSHPSA-N 2 2 299.415 -0.332 20 0 CBADLP COC[C@@H]1C[N@H+](CC(=O)NC2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000878482878 584205222 /nfs/dbraw/zinc/20/52/22/584205222.db2.gz AKMNQUJCHQQASB-JSGCOSHPSA-N 2 2 299.415 -0.068 20 0 CBADLP COC[C@@H]1C[N@@H+](CC(=O)NC2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000878482878 584205223 /nfs/dbraw/zinc/20/52/23/584205223.db2.gz AKMNQUJCHQQASB-JSGCOSHPSA-N 2 2 299.415 -0.068 20 0 CBADLP COC[C@@H]1C[N@H+](CC(=O)NC2CC[NH+](C)CC2)C[C@@H](C)O1 ZINC000878482879 584205241 /nfs/dbraw/zinc/20/52/41/584205241.db2.gz AKMNQUJCHQQASB-OCCSQVGLSA-N 2 2 299.415 -0.068 20 0 CBADLP COC[C@@H]1C[N@@H+](CC(=O)NC2CC[NH+](C)CC2)C[C@@H](C)O1 ZINC000878482879 584205243 /nfs/dbraw/zinc/20/52/43/584205243.db2.gz AKMNQUJCHQQASB-OCCSQVGLSA-N 2 2 299.415 -0.068 20 0 CBADLP C[NH+]1CCC(NC(=O)C[NH+]2CC(C)(C(N)=O)C2)CC1 ZINC000878757819 584216454 /nfs/dbraw/zinc/21/64/54/584216454.db2.gz ABZZIAMMAOZDPU-UHFFFAOYSA-N 2 2 268.361 -0.996 20 0 CBADLP C[NH+](C)CCN1CC[N@H+](C[C@@H](O)CC(C)(C)O)CC1=O ZINC000878802365 584217672 /nfs/dbraw/zinc/21/76/72/584217672.db2.gz FLVFTSVKYRVOBY-LBPRGKRZSA-N 2 2 287.404 -0.786 20 0 CBADLP C[NH+](C)CCN1CC[N@@H+](C[C@@H](O)CC(C)(C)O)CC1=O ZINC000878802365 584217674 /nfs/dbraw/zinc/21/76/74/584217674.db2.gz FLVFTSVKYRVOBY-LBPRGKRZSA-N 2 2 287.404 -0.786 20 0 CBADLP C[NH+](C)CCN1CC[N@H+](C[C@H](O)CC(C)(C)O)CC1=O ZINC000878802356 584217693 /nfs/dbraw/zinc/21/76/93/584217693.db2.gz FLVFTSVKYRVOBY-GFCCVEGCSA-N 2 2 287.404 -0.786 20 0 CBADLP C[NH+](C)CCN1CC[N@@H+](C[C@H](O)CC(C)(C)O)CC1=O ZINC000878802356 584217694 /nfs/dbraw/zinc/21/76/94/584217694.db2.gz FLVFTSVKYRVOBY-GFCCVEGCSA-N 2 2 287.404 -0.786 20 0 CBADLP C[NH+](C)C[C@]1(O)CCC[N@H+](CCn2cnnn2)C1 ZINC000878865261 584219411 /nfs/dbraw/zinc/21/94/11/584219411.db2.gz GFVSNMUXKAJISU-LLVKDONJSA-N 2 2 254.338 -0.938 20 0 CBADLP C[NH+](C)C[C@]1(O)CCC[N@@H+](CCn2cnnn2)C1 ZINC000878865261 584219412 /nfs/dbraw/zinc/21/94/12/584219412.db2.gz GFVSNMUXKAJISU-LLVKDONJSA-N 2 2 254.338 -0.938 20 0 CBADLP OC[C@@H]1CC[C@@H](CO)[NH+]1C[C@H](O)C[NH+]1CCCC1 ZINC000878883774 584219950 /nfs/dbraw/zinc/21/99/50/584219950.db2.gz OJCJGVXSGXDLPN-RWMBFGLXSA-N 2 2 258.362 -0.739 20 0 CBADLP NC(=O)[C@H](F)C1CC[NH+](C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000879047405 584225176 /nfs/dbraw/zinc/22/51/76/584225176.db2.gz OEZCOLMUVCDFSO-CHWSQXEVSA-N 2 2 287.379 -0.022 20 0 CBADLP CC1([NH+]2CCOCC2)CC[NH+](CCn2cnnn2)CC1 ZINC000879050984 584225365 /nfs/dbraw/zinc/22/53/65/584225365.db2.gz MTXGEEAOBZOHCZ-UHFFFAOYSA-N 2 2 280.376 -0.140 20 0 CBADLP Cc1[nH+]ccn1CC[N@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879534905 584239077 /nfs/dbraw/zinc/23/90/77/584239077.db2.gz ZZBYXZGEJNZSGF-PHIMTYICSA-N 2 2 262.313 -0.262 20 0 CBADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879534905 584239078 /nfs/dbraw/zinc/23/90/78/584239078.db2.gz ZZBYXZGEJNZSGF-PHIMTYICSA-N 2 2 262.313 -0.262 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879572801 584241428 /nfs/dbraw/zinc/24/14/28/584241428.db2.gz RPGZBOLHLNPJTA-KXUCPTDWSA-N 2 2 254.334 -0.404 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879572801 584241429 /nfs/dbraw/zinc/24/14/29/584241429.db2.gz RPGZBOLHLNPJTA-KXUCPTDWSA-N 2 2 254.334 -0.404 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879572801 584241431 /nfs/dbraw/zinc/24/14/31/584241431.db2.gz RPGZBOLHLNPJTA-KXUCPTDWSA-N 2 2 254.334 -0.404 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879572801 584241433 /nfs/dbraw/zinc/24/14/33/584241433.db2.gz RPGZBOLHLNPJTA-KXUCPTDWSA-N 2 2 254.334 -0.404 20 0 CBADLP COC(=O)CNC(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879575458 584241695 /nfs/dbraw/zinc/24/16/95/584241695.db2.gz LLRIGRDLNMZONA-SRVKXCTJSA-N 2 2 283.372 -0.310 20 0 CBADLP COC(=O)CNC(=O)[C@H](C)[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879575458 584241696 /nfs/dbraw/zinc/24/16/96/584241696.db2.gz LLRIGRDLNMZONA-SRVKXCTJSA-N 2 2 283.372 -0.310 20 0 CBADLP COC(=O)CNC(=O)[C@H](C)[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879575458 584241697 /nfs/dbraw/zinc/24/16/97/584241697.db2.gz LLRIGRDLNMZONA-SRVKXCTJSA-N 2 2 283.372 -0.310 20 0 CBADLP COC(=O)CNC(=O)[C@H](C)[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879575458 584241698 /nfs/dbraw/zinc/24/16/98/584241698.db2.gz LLRIGRDLNMZONA-SRVKXCTJSA-N 2 2 283.372 -0.310 20 0 CBADLP CN(C)S(=O)(=O)CC[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879583646 584241919 /nfs/dbraw/zinc/24/19/19/584241919.db2.gz YYMVVZXMFKPAHQ-NEPJUHHUSA-N 2 2 275.418 -0.096 20 0 CBADLP CN(C)S(=O)(=O)CC[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879583646 584241921 /nfs/dbraw/zinc/24/19/21/584241921.db2.gz YYMVVZXMFKPAHQ-NEPJUHHUSA-N 2 2 275.418 -0.096 20 0 CBADLP CN(C)S(=O)(=O)CC[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879583646 584241924 /nfs/dbraw/zinc/24/19/24/584241924.db2.gz YYMVVZXMFKPAHQ-NEPJUHHUSA-N 2 2 275.418 -0.096 20 0 CBADLP CN(C)S(=O)(=O)CC[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879583646 584241925 /nfs/dbraw/zinc/24/19/25/584241925.db2.gz YYMVVZXMFKPAHQ-NEPJUHHUSA-N 2 2 275.418 -0.096 20 0 CBADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@H]2OCCNC(=O)[C@@H]21 ZINC000879723936 584247860 /nfs/dbraw/zinc/24/78/60/584247860.db2.gz CRCLRAIIBOKLMS-QWHCGFSZSA-N 2 2 278.356 -0.058 20 0 CBADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@H]2OCCNC(=O)[C@@H]21 ZINC000879723936 584247862 /nfs/dbraw/zinc/24/78/62/584247862.db2.gz CRCLRAIIBOKLMS-QWHCGFSZSA-N 2 2 278.356 -0.058 20 0 CBADLP OCC1(CO)CC[NH+](C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000879968116 584256922 /nfs/dbraw/zinc/25/69/22/584256922.db2.gz IOUFPSLDIOFLKL-CYBMUJFWSA-N 2 2 272.389 -0.490 20 0 CBADLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCCS(N)(=O)=O ZINC000880130669 584263448 /nfs/dbraw/zinc/26/34/48/584263448.db2.gz FTUIXDLPROBTDE-GHMZBOCLSA-N 2 2 261.391 -0.167 20 0 CBADLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCCS(N)(=O)=O ZINC000880130669 584263449 /nfs/dbraw/zinc/26/34/49/584263449.db2.gz FTUIXDLPROBTDE-GHMZBOCLSA-N 2 2 261.391 -0.167 20 0 CBADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2CCCS(N)(=O)=O ZINC000880130669 584263451 /nfs/dbraw/zinc/26/34/51/584263451.db2.gz FTUIXDLPROBTDE-GHMZBOCLSA-N 2 2 261.391 -0.167 20 0 CBADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2CCCS(N)(=O)=O ZINC000880130669 584263453 /nfs/dbraw/zinc/26/34/53/584263453.db2.gz FTUIXDLPROBTDE-GHMZBOCLSA-N 2 2 261.391 -0.167 20 0 CBADLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCN1C(=O)CNC1=O ZINC000880132715 584263822 /nfs/dbraw/zinc/26/38/22/584263822.db2.gz LVVMBRWRTBGZSA-GHMZBOCLSA-N 2 2 266.345 -0.293 20 0 CBADLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCN1C(=O)CNC1=O ZINC000880132715 584263823 /nfs/dbraw/zinc/26/38/23/584263823.db2.gz LVVMBRWRTBGZSA-GHMZBOCLSA-N 2 2 266.345 -0.293 20 0 CBADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2CCN1C(=O)CNC1=O ZINC000880132715 584263825 /nfs/dbraw/zinc/26/38/25/584263825.db2.gz LVVMBRWRTBGZSA-GHMZBOCLSA-N 2 2 266.345 -0.293 20 0 CBADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2CCN1C(=O)CNC1=O ZINC000880132715 584263827 /nfs/dbraw/zinc/26/38/27/584263827.db2.gz LVVMBRWRTBGZSA-GHMZBOCLSA-N 2 2 266.345 -0.293 20 0 CBADLP C[C@@H]1C[N@H+](CCS(N)(=O)=O)CCN1c1cc[nH+]cc1 ZINC000880263343 584267952 /nfs/dbraw/zinc/26/79/52/584267952.db2.gz WXFLYAVNUUHCMU-LLVKDONJSA-N 2 2 284.385 -0.119 20 0 CBADLP C[C@@H]1C[N@@H+](CCS(N)(=O)=O)CCN1c1cc[nH+]cc1 ZINC000880263343 584267955 /nfs/dbraw/zinc/26/79/55/584267955.db2.gz WXFLYAVNUUHCMU-LLVKDONJSA-N 2 2 284.385 -0.119 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1C[C@H]2CN(C(C)=O)C[C@H]2C1 ZINC000880312666 584268963 /nfs/dbraw/zinc/26/89/63/584268963.db2.gz UGXHVICLNKBSIC-QLFBSQMISA-N 2 2 299.415 -0.664 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@H]2CN(C(C)=O)C[C@H]2C1 ZINC000880312666 584268965 /nfs/dbraw/zinc/26/89/65/584268965.db2.gz UGXHVICLNKBSIC-QLFBSQMISA-N 2 2 299.415 -0.664 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1C[C@H]2CN(C(C)=O)C[C@H]2C1 ZINC000880312666 584268968 /nfs/dbraw/zinc/26/89/68/584268968.db2.gz UGXHVICLNKBSIC-QLFBSQMISA-N 2 2 299.415 -0.664 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@H]2CN(C(C)=O)C[C@H]2C1 ZINC000880312666 584268971 /nfs/dbraw/zinc/26/89/71/584268971.db2.gz UGXHVICLNKBSIC-QLFBSQMISA-N 2 2 299.415 -0.664 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]2CCNC(=O)[C@H]21 ZINC000880523610 584276931 /nfs/dbraw/zinc/27/69/31/584276931.db2.gz JFLXBGLEHVNUSY-AGIUHOORSA-N 2 2 269.389 -0.101 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]2CCNC(=O)[C@H]21 ZINC000880523610 584276932 /nfs/dbraw/zinc/27/69/32/584276932.db2.gz JFLXBGLEHVNUSY-AGIUHOORSA-N 2 2 269.389 -0.101 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]2CCNC(=O)[C@H]21 ZINC000880523610 584276933 /nfs/dbraw/zinc/27/69/33/584276933.db2.gz JFLXBGLEHVNUSY-AGIUHOORSA-N 2 2 269.389 -0.101 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]2CCNC(=O)[C@H]21 ZINC000880523610 584276934 /nfs/dbraw/zinc/27/69/34/584276934.db2.gz JFLXBGLEHVNUSY-AGIUHOORSA-N 2 2 269.389 -0.101 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]2CCNC(=O)[C@H]21 ZINC000880523611 584276973 /nfs/dbraw/zinc/27/69/73/584276973.db2.gz JFLXBGLEHVNUSY-AVGNSLFASA-N 2 2 269.389 -0.101 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]2CCNC(=O)[C@H]21 ZINC000880523611 584276974 /nfs/dbraw/zinc/27/69/74/584276974.db2.gz JFLXBGLEHVNUSY-AVGNSLFASA-N 2 2 269.389 -0.101 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]2CCNC(=O)[C@H]21 ZINC000880523611 584276975 /nfs/dbraw/zinc/27/69/75/584276975.db2.gz JFLXBGLEHVNUSY-AVGNSLFASA-N 2 2 269.389 -0.101 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]2CCNC(=O)[C@H]21 ZINC000880523611 584276976 /nfs/dbraw/zinc/27/69/76/584276976.db2.gz JFLXBGLEHVNUSY-AVGNSLFASA-N 2 2 269.389 -0.101 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]2CCNC(=O)[C@H]21 ZINC000880524168 584276979 /nfs/dbraw/zinc/27/69/79/584276979.db2.gz QGQDLJYVFOEWOP-IHRRRGAJSA-N 2 2 299.415 -0.474 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]2CCNC(=O)[C@H]21 ZINC000880524168 584276980 /nfs/dbraw/zinc/27/69/80/584276980.db2.gz QGQDLJYVFOEWOP-IHRRRGAJSA-N 2 2 299.415 -0.474 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]2CCNC(=O)[C@H]21 ZINC000880524168 584276981 /nfs/dbraw/zinc/27/69/81/584276981.db2.gz QGQDLJYVFOEWOP-IHRRRGAJSA-N 2 2 299.415 -0.474 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]2CCNC(=O)[C@H]21 ZINC000880524168 584276982 /nfs/dbraw/zinc/27/69/82/584276982.db2.gz QGQDLJYVFOEWOP-IHRRRGAJSA-N 2 2 299.415 -0.474 20 0 CBADLP C[NH+](C)CC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000882631081 584321145 /nfs/dbraw/zinc/32/11/45/584321145.db2.gz GMGKQZCIDZTNEM-AWEZNQCLSA-N 2 2 298.431 -0.539 20 0 CBADLP C[NH+](C)CC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000882631081 584321146 /nfs/dbraw/zinc/32/11/46/584321146.db2.gz GMGKQZCIDZTNEM-AWEZNQCLSA-N 2 2 298.431 -0.539 20 0 CBADLP CC[N@@H+]1CC[C@@H]1CNC(=O)NC[C@@H]1CN(C)CC[NH+]1C ZINC000883385210 584340821 /nfs/dbraw/zinc/34/08/21/584340821.db2.gz HKVGQAHLHJASKJ-CHWSQXEVSA-N 2 2 283.420 -0.374 20 0 CBADLP CC[N@H+]1CC[C@@H]1CNC(=O)NC[C@@H]1CN(C)CC[NH+]1C ZINC000883385210 584340824 /nfs/dbraw/zinc/34/08/24/584340824.db2.gz HKVGQAHLHJASKJ-CHWSQXEVSA-N 2 2 283.420 -0.374 20 0 CBADLP CC[NH+]1CC[C@@H]1CNC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000883385210 584340827 /nfs/dbraw/zinc/34/08/27/584340827.db2.gz HKVGQAHLHJASKJ-CHWSQXEVSA-N 2 2 283.420 -0.374 20 0 CBADLP CC[NH+]1CC[C@@H]1CNC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000883385210 584340829 /nfs/dbraw/zinc/34/08/29/584340829.db2.gz HKVGQAHLHJASKJ-CHWSQXEVSA-N 2 2 283.420 -0.374 20 0 CBADLP CCNC(=O)C[NH+]1CCN(C[C@@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000883423591 584341758 /nfs/dbraw/zinc/34/17/58/584341758.db2.gz OVVUHPFJTPJUAC-RYUDHWBXSA-N 2 2 272.368 -0.560 20 0 CBADLP C[N@@H+]1CCN(C(=O)[C@@H]2C[NH2+]CC2(C)C)[C@H](C[NH3+])C1 ZINC000884042056 584357239 /nfs/dbraw/zinc/35/72/39/584357239.db2.gz PACLUCAXMMAICB-MNOVXSKESA-N 3 2 254.378 -0.667 20 0 CBADLP C[N@H+]1CCN(C(=O)[C@@H]2C[NH2+]CC2(C)C)[C@H](C[NH3+])C1 ZINC000884042056 584357241 /nfs/dbraw/zinc/35/72/41/584357241.db2.gz PACLUCAXMMAICB-MNOVXSKESA-N 3 2 254.378 -0.667 20 0 CBADLP C[C@@H](C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])c1cncnc1 ZINC000884041986 584357262 /nfs/dbraw/zinc/35/72/62/584357262.db2.gz MTZJJKPIQFYSAC-ZYHUDNBSSA-N 2 2 263.345 -0.319 20 0 CBADLP C[C@@H](C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1cncnc1 ZINC000884041986 584357265 /nfs/dbraw/zinc/35/72/65/584357265.db2.gz MTZJJKPIQFYSAC-ZYHUDNBSSA-N 2 2 263.345 -0.319 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@@H]2C[NH2+]CC2(C)C)CC1 ZINC000884189935 584365250 /nfs/dbraw/zinc/36/52/50/584365250.db2.gz QANWKAYJYIMFFW-ZDUSSCGKSA-N 2 2 296.415 -0.488 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]([NH3+])CC2CC2)CCO1 ZINC000884205777 584366892 /nfs/dbraw/zinc/36/68/92/584366892.db2.gz FZOVXGOJYAMCSE-PWSUYJOCSA-N 2 2 255.362 -0.049 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]([NH3+])CC2CC2)CCO1 ZINC000884205777 584366893 /nfs/dbraw/zinc/36/68/93/584366893.db2.gz FZOVXGOJYAMCSE-PWSUYJOCSA-N 2 2 255.362 -0.049 20 0 CBADLP COCC[C@H]([NH3+])C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000884212229 584367865 /nfs/dbraw/zinc/36/78/65/584367865.db2.gz ZKSPBKMBOIAQAH-NSHDSACASA-N 2 2 273.377 -0.423 20 0 CBADLP COCC[C@H]([NH3+])C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000884212229 584367866 /nfs/dbraw/zinc/36/78/66/584367866.db2.gz ZKSPBKMBOIAQAH-NSHDSACASA-N 2 2 273.377 -0.423 20 0 CBADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000884235108 584369229 /nfs/dbraw/zinc/36/92/29/584369229.db2.gz MJDWULUFRQLKIP-STQMWFEESA-N 2 2 282.432 -0.016 20 0 CBADLP C[C@H](C(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C)N1CC[NH2+]CC1=O ZINC000884364772 584376964 /nfs/dbraw/zinc/37/69/64/584376964.db2.gz YLSOGFYZZULIMS-BBBLOLIVSA-N 2 2 268.361 -0.951 20 0 CBADLP C[C@@H]([NH3+])CNC(=O)C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000884684308 584395595 /nfs/dbraw/zinc/39/55/95/584395595.db2.gz BOUHWSOHSGILTG-MFKMUULPSA-N 2 2 290.367 -0.247 20 0 CBADLP C[C@@H]([NH3+])CNC(=O)C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000884684308 584395598 /nfs/dbraw/zinc/39/55/98/584395598.db2.gz BOUHWSOHSGILTG-MFKMUULPSA-N 2 2 290.367 -0.247 20 0 CBADLP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)C(=O)NC1C[NH2+]C1 ZINC000884692975 584397794 /nfs/dbraw/zinc/39/77/94/584397794.db2.gz GSEFJVNCMDOMBS-CYBMUJFWSA-N 2 2 288.351 -0.623 20 0 CBADLP C[NH+](C)CC(=O)N1CC[NH+](C[C@@](C)(O)C(F)F)CC1 ZINC000885951691 584429999 /nfs/dbraw/zinc/42/99/99/584429999.db2.gz ODNGOSMDRRTLDV-GFCCVEGCSA-N 2 2 279.331 -0.292 20 0 CBADLP COC(=O)[C@H]1CC[C@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)C1 ZINC000886516446 584441804 /nfs/dbraw/zinc/44/18/04/584441804.db2.gz ICWBUISIARKCFC-RYUDHWBXSA-N 2 2 283.372 -0.308 20 0 CBADLP COC(=O)N[C@H]1CC[N@H+](CC(=O)NC2CC[NH+](C)CC2)C1 ZINC000886848853 584448001 /nfs/dbraw/zinc/44/80/01/584448001.db2.gz RAQUBQIGNFGSNB-LBPRGKRZSA-N 2 2 298.387 -0.373 20 0 CBADLP COC(=O)N[C@H]1CC[N@@H+](CC(=O)NC2CC[NH+](C)CC2)C1 ZINC000886848853 584448002 /nfs/dbraw/zinc/44/80/02/584448002.db2.gz RAQUBQIGNFGSNB-LBPRGKRZSA-N 2 2 298.387 -0.373 20 0 CBADLP NC(=O)NC(=O)C[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886872365 584450619 /nfs/dbraw/zinc/45/06/19/584450619.db2.gz QVQKEAARCNDNQX-GFCCVEGCSA-N 2 2 254.334 -0.353 20 0 CBADLP NC(=O)NC(=O)C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886872365 584450622 /nfs/dbraw/zinc/45/06/22/584450622.db2.gz QVQKEAARCNDNQX-GFCCVEGCSA-N 2 2 254.334 -0.353 20 0 CBADLP COc1cc[nH+]cc1NC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000887042872 584458936 /nfs/dbraw/zinc/45/89/36/584458936.db2.gz XWOLRSKWGUSWNR-SECBINFHSA-N 2 2 278.312 -0.022 20 0 CBADLP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CC(=O)NC(N)=O ZINC000887130986 584463777 /nfs/dbraw/zinc/46/37/77/584463777.db2.gz PDFPRUFLKRHDHK-JTQLQIEISA-N 2 2 277.328 -0.213 20 0 CBADLP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CC(=O)NC(N)=O ZINC000887130986 584463778 /nfs/dbraw/zinc/46/37/78/584463778.db2.gz PDFPRUFLKRHDHK-JTQLQIEISA-N 2 2 277.328 -0.213 20 0 CBADLP OCC[NH+](CCO)Cc1cn(-c2cc[nH+]cc2)nn1 ZINC000887411207 584467432 /nfs/dbraw/zinc/46/74/32/584467432.db2.gz GOEMBMOVVQEZSR-UHFFFAOYSA-N 2 2 263.301 -0.551 20 0 CBADLP [NH3+][C@H]1CCCN(Cc2cn(CC[NH+]3CCOCC3)nn2)C1 ZINC000887442694 584467780 /nfs/dbraw/zinc/46/77/80/584467780.db2.gz PABVTPGPDXLGKX-ZDUSSCGKSA-N 2 2 294.403 -0.467 20 0 CBADLP CN1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC[N@@H+](C)CC1 ZINC000888979184 584510070 /nfs/dbraw/zinc/51/00/70/584510070.db2.gz JGPMIPJXUQJSDB-ZDUSSCGKSA-N 2 2 268.405 -0.214 20 0 CBADLP CN1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC[NH+](C)CC1 ZINC000888979184 584510072 /nfs/dbraw/zinc/51/00/72/584510072.db2.gz JGPMIPJXUQJSDB-ZDUSSCGKSA-N 2 2 268.405 -0.214 20 0 CBADLP CN1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC[NH+](C)CC1 ZINC000888979184 584510075 /nfs/dbraw/zinc/51/00/75/584510075.db2.gz JGPMIPJXUQJSDB-ZDUSSCGKSA-N 2 2 268.405 -0.214 20 0 CBADLP CN1CCN(C(=O)Cn2cc[nH+]c2)CC[N@@H+](C)CC1 ZINC000888983436 584510972 /nfs/dbraw/zinc/51/09/72/584510972.db2.gz BLMKMGDPMKKAEZ-UHFFFAOYSA-N 2 2 265.361 -0.411 20 0 CBADLP Cn1c[nH+]c(CNC(=O)C[C@]2(O)CCC[N@H+](C)C2)c1 ZINC000890102840 584543608 /nfs/dbraw/zinc/54/36/08/584543608.db2.gz BAJCMOAMVORRFZ-CYBMUJFWSA-N 2 2 266.345 -0.117 20 0 CBADLP Cn1c[nH+]c(CNC(=O)C[C@]2(O)CCC[N@@H+](C)C2)c1 ZINC000890102840 584543610 /nfs/dbraw/zinc/54/36/10/584543610.db2.gz BAJCMOAMVORRFZ-CYBMUJFWSA-N 2 2 266.345 -0.117 20 0 CBADLP C[C@@H](NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)[C@H](C)[NH+]1CCOCC1 ZINC000891518580 584584198 /nfs/dbraw/zinc/58/41/98/584584198.db2.gz RJMDUGJPLWZHMV-VOAKCMCISA-N 2 2 282.388 -0.149 20 0 CBADLP CN1CC[N@H+](C)[C@H](CNC(=O)N[C@]23CCC[C@@H]2[NH2+]CC3)C1 ZINC000891539443 584584889 /nfs/dbraw/zinc/58/48/89/584584889.db2.gz ARPQQDPCBZYARR-IPYPFGDCSA-N 2 2 295.431 -0.184 20 0 CBADLP CN1CC[N@@H+](C)[C@H](CNC(=O)N[C@]23CCC[C@@H]2[NH2+]CC3)C1 ZINC000891539443 584584891 /nfs/dbraw/zinc/58/48/91/584584891.db2.gz ARPQQDPCBZYARR-IPYPFGDCSA-N 2 2 295.431 -0.184 20 0 CBADLP CNc1cc(N2CCN(C(=O)C[NH+](C)C)CC2)nc[nH+]1 ZINC000891765820 584591930 /nfs/dbraw/zinc/59/19/30/584591930.db2.gz UNYDJALKDXVXBF-UHFFFAOYSA-N 2 2 278.360 -0.272 20 0 CBADLP CNc1cc(N2CCN(C(=O)C[NH+](C)C)CC2)[nH+]cn1 ZINC000891765820 584591932 /nfs/dbraw/zinc/59/19/32/584591932.db2.gz UNYDJALKDXVXBF-UHFFFAOYSA-N 2 2 278.360 -0.272 20 0 CBADLP CC(=O)N1CC[NH+](CCNc2cc[nH+]cc2CO)CC1 ZINC000891821485 584592708 /nfs/dbraw/zinc/59/27/08/584592708.db2.gz JQBOVYFHPUGIIJ-UHFFFAOYSA-N 2 2 278.356 -0.428 20 0 CBADLP O=C(NCC1([NH+]2CCOCC2)CC1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891858756 584593187 /nfs/dbraw/zinc/59/31/87/584593187.db2.gz WCQOQIQEEGEVBP-BETUJISGSA-N 2 2 294.399 -0.003 20 0 CBADLP C[N@@H+]1CCN(C(=O)NCCC[C@H]2CCOC2=O)[C@@H](C[NH3+])C1 ZINC000892707560 584623327 /nfs/dbraw/zinc/62/33/27/584623327.db2.gz HBEGDGZBCVKCMR-RYUDHWBXSA-N 2 2 298.387 -0.386 20 0 CBADLP C[N@H+]1CCN(C(=O)NCCC[C@H]2CCOC2=O)[C@@H](C[NH3+])C1 ZINC000892707560 584623330 /nfs/dbraw/zinc/62/33/30/584623330.db2.gz HBEGDGZBCVKCMR-RYUDHWBXSA-N 2 2 298.387 -0.386 20 0 CBADLP CC(=O)OC[C@@H](C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000892714492 584623683 /nfs/dbraw/zinc/62/36/83/584623683.db2.gz POBZJKFXMJSCMP-SNVBAGLBSA-N 2 2 257.334 -0.698 20 0 CBADLP C[N@@H+]1CCN(C(=O)NCCC(C)(C)[NH3+])[C@@H](C[NH3+])C1 ZINC000892852028 584628504 /nfs/dbraw/zinc/62/85/04/584628504.db2.gz YQSZHMNWLZWMHP-JTQLQIEISA-N 3 2 257.382 -0.602 20 0 CBADLP C[N@H+]1CCN(C(=O)NCCC(C)(C)[NH3+])[C@@H](C[NH3+])C1 ZINC000892852028 584628505 /nfs/dbraw/zinc/62/85/05/584628505.db2.gz YQSZHMNWLZWMHP-JTQLQIEISA-N 3 2 257.382 -0.602 20 0 CBADLP CCC1([NH3+])CCN(C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])CC1 ZINC000892933918 584630083 /nfs/dbraw/zinc/63/00/83/584630083.db2.gz TWIWIIFDTDJEOU-LBPRGKRZSA-N 3 2 283.420 -0.116 20 0 CBADLP CCC1([NH3+])CCN(C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])CC1 ZINC000892933918 584630085 /nfs/dbraw/zinc/63/00/85/584630085.db2.gz TWIWIIFDTDJEOU-LBPRGKRZSA-N 3 2 283.420 -0.116 20 0 CBADLP C[C@@H](NC(=O)NCc1cn(C)c[nH+]1)[C@@H]1C[N@H+](C)CCO1 ZINC000893761839 584644902 /nfs/dbraw/zinc/64/49/02/584644902.db2.gz FEDQEXYPLUTXCD-PWSUYJOCSA-N 2 2 281.360 -0.062 20 0 CBADLP C[C@@H](NC(=O)NCc1cn(C)c[nH+]1)[C@@H]1C[N@@H+](C)CCO1 ZINC000893761839 584644903 /nfs/dbraw/zinc/64/49/03/584644903.db2.gz FEDQEXYPLUTXCD-PWSUYJOCSA-N 2 2 281.360 -0.062 20 0 CBADLP CC(=O)N1CCN(CC[NH2+]Cc2c[nH+]c[nH]2)CC1 ZINC000894176880 584652828 /nfs/dbraw/zinc/65/28/28/584652828.db2.gz WJSGHDBZZYGJAQ-UHFFFAOYSA-N 2 2 251.334 -0.337 20 0 CBADLP Cc1ccnc(N)c1C[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000894207200 584653914 /nfs/dbraw/zinc/65/39/14/584653914.db2.gz SMVWBCVHYSEZRS-UHFFFAOYSA-N 2 2 277.372 -0.164 20 0 CBADLP Cn1c[nH+]c(CNC(=O)NCCOCC[NH+](C)C)c1 ZINC000894364465 584656585 /nfs/dbraw/zinc/65/65/85/584656585.db2.gz RAOCBGZZSJQRBD-UHFFFAOYSA-N 2 2 269.349 -0.203 20 0 CBADLP CC[N@H+](CCO)CC[NH2+]C[C@@H]1[C@@H](C(=O)OC)C1(F)F ZINC000894478232 584658838 /nfs/dbraw/zinc/65/88/38/584658838.db2.gz VMALJDKHJFOPEB-ZJUUUORDSA-N 2 2 280.315 -0.056 20 0 CBADLP CC[N@@H+](CCO)CC[NH2+]C[C@@H]1[C@@H](C(=O)OC)C1(F)F ZINC000894478232 584658841 /nfs/dbraw/zinc/65/88/41/584658841.db2.gz VMALJDKHJFOPEB-ZJUUUORDSA-N 2 2 280.315 -0.056 20 0 CBADLP CC(C)NS(=O)(=O)NCC[NH2+]Cc1c[nH+]c[nH]1 ZINC000894562416 584659635 /nfs/dbraw/zinc/65/96/35/584659635.db2.gz MQOHLOCOLJFMOZ-UHFFFAOYSA-N 2 2 261.351 -0.668 20 0 CBADLP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1Cc1c[nH+]c[nH]1 ZINC000895086922 584671116 /nfs/dbraw/zinc/67/11/16/584671116.db2.gz XPKBMXKQDVMBMB-SNVBAGLBSA-N 2 2 251.334 -0.039 20 0 CBADLP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1Cc1c[nH]c[nH+]1 ZINC000895086922 584671117 /nfs/dbraw/zinc/67/11/17/584671117.db2.gz XPKBMXKQDVMBMB-SNVBAGLBSA-N 2 2 251.334 -0.039 20 0 CBADLP C[NH+]1CCN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)CC1 ZINC000895426686 584679051 /nfs/dbraw/zinc/67/90/51/584679051.db2.gz DJDNURWIKVNHPT-LBPRGKRZSA-N 2 2 253.346 -0.519 20 0 CBADLP COC(=O)[C@@]1(O)CC[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000895701695 584685532 /nfs/dbraw/zinc/68/55/32/584685532.db2.gz CEBDOYQJJXKIAA-CYBMUJFWSA-N 2 2 265.313 -0.061 20 0 CBADLP COC(=O)[C@@]1(O)CC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000895701695 584685533 /nfs/dbraw/zinc/68/55/33/584685533.db2.gz CEBDOYQJJXKIAA-CYBMUJFWSA-N 2 2 265.313 -0.061 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCN1C ZINC000896532798 584701081 /nfs/dbraw/zinc/70/10/81/584701081.db2.gz VQDMRULRZQOWNP-QWHCGFSZSA-N 2 2 279.388 -0.058 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC000896532798 584701083 /nfs/dbraw/zinc/70/10/83/584701083.db2.gz VQDMRULRZQOWNP-QWHCGFSZSA-N 2 2 279.388 -0.058 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC000896532798 584701085 /nfs/dbraw/zinc/70/10/85/584701085.db2.gz VQDMRULRZQOWNP-QWHCGFSZSA-N 2 2 279.388 -0.058 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC000896532798 584701087 /nfs/dbraw/zinc/70/10/87/584701087.db2.gz VQDMRULRZQOWNP-QWHCGFSZSA-N 2 2 279.388 -0.058 20 0 CBADLP Cc1nc(N2CCN(C)CC[N@@H+](C)CC2)nc(N)[nH+]1 ZINC000897095045 584708849 /nfs/dbraw/zinc/70/88/49/584708849.db2.gz PAVFBIVVEWGJNS-UHFFFAOYSA-N 2 2 265.365 -0.554 20 0 CBADLP Cc1nc(N2CCN(C)CC[N@H+](C)CC2)nc(N)[nH+]1 ZINC000897095045 584708851 /nfs/dbraw/zinc/70/88/51/584708851.db2.gz PAVFBIVVEWGJNS-UHFFFAOYSA-N 2 2 265.365 -0.554 20 0 CBADLP Cc1nc(N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)nc(N)[nH+]1 ZINC000897218298 584709964 /nfs/dbraw/zinc/70/99/64/584709964.db2.gz CDZGFSXNDGYQSZ-GHMZBOCLSA-N 2 2 278.360 -0.202 20 0 CBADLP Cc1nc(N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)nc(N)[nH+]1 ZINC000897218298 584709965 /nfs/dbraw/zinc/70/99/65/584709965.db2.gz CDZGFSXNDGYQSZ-GHMZBOCLSA-N 2 2 278.360 -0.202 20 0 CBADLP CC[NH+]1CCN(C(=O)CNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000897834798 584725727 /nfs/dbraw/zinc/72/57/27/584725727.db2.gz MJOJMXKHDWIUJM-LBPRGKRZSA-N 2 2 282.388 -0.639 20 0 CBADLP CC[NH+]1CCN(C(=O)CNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000897834798 584725729 /nfs/dbraw/zinc/72/57/29/584725729.db2.gz MJOJMXKHDWIUJM-LBPRGKRZSA-N 2 2 282.388 -0.639 20 0 CBADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCn1ccc(=O)[nH]c1=O ZINC000898332703 584735570 /nfs/dbraw/zinc/73/55/70/584735570.db2.gz OYCUGWBWVYJAQW-QWRGUYRKSA-N 2 2 266.345 -0.121 20 0 CBADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCn1ccc(=O)[nH]c1=O ZINC000898332703 584735572 /nfs/dbraw/zinc/73/55/72/584735572.db2.gz OYCUGWBWVYJAQW-QWRGUYRKSA-N 2 2 266.345 -0.121 20 0 CBADLP C[NH+]1CCC(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)CC1 ZINC000899056605 584748834 /nfs/dbraw/zinc/74/88/34/584748834.db2.gz FNVKBHWCCBZZLO-UHFFFAOYSA-N 2 2 297.399 -0.107 20 0 CBADLP C[NH+]1CCC(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)CC1 ZINC000899056605 584748835 /nfs/dbraw/zinc/74/88/35/584748835.db2.gz FNVKBHWCCBZZLO-UHFFFAOYSA-N 2 2 297.399 -0.107 20 0 CBADLP O=C(CCn1cc[nH+]c1)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000899056995 584749105 /nfs/dbraw/zinc/74/91/05/584749105.db2.gz MMTNDGUXTKTYFW-UHFFFAOYSA-N 2 2 294.355 -0.162 20 0 CBADLP O=C(CCn1cc[nH+]c1)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000899056995 584749107 /nfs/dbraw/zinc/74/91/07/584749107.db2.gz MMTNDGUXTKTYFW-UHFFFAOYSA-N 2 2 294.355 -0.162 20 0 CBADLP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCC3(C2)OCCO3)CC[N@@H+]1C ZINC000899061282 584749619 /nfs/dbraw/zinc/74/96/19/584749619.db2.gz AVCRDCWWVXOMRT-CHWSQXEVSA-N 2 2 297.399 -0.108 20 0 CBADLP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCC3(C2)OCCO3)CC[N@H+]1C ZINC000899061282 584749620 /nfs/dbraw/zinc/74/96/20/584749620.db2.gz AVCRDCWWVXOMRT-CHWSQXEVSA-N 2 2 297.399 -0.108 20 0 CBADLP C[C@@H]1[C@H](C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)CC[NH+]1C ZINC000899061282 584749622 /nfs/dbraw/zinc/74/96/22/584749622.db2.gz AVCRDCWWVXOMRT-CHWSQXEVSA-N 2 2 297.399 -0.108 20 0 CBADLP C[C@@H]1[C@H](C(=O)NCC[N@H+]2CCC3(C2)OCCO3)CC[NH+]1C ZINC000899061282 584749624 /nfs/dbraw/zinc/74/96/24/584749624.db2.gz AVCRDCWWVXOMRT-CHWSQXEVSA-N 2 2 297.399 -0.108 20 0 CBADLP C[C@@H]1CN(C(=O)NCC[NH+]2CCOCC2)C[C@H]1[NH3+] ZINC000899241475 584754187 /nfs/dbraw/zinc/75/41/87/584754187.db2.gz HFNSUIFYBKBVFZ-GHMZBOCLSA-N 2 2 256.350 -0.693 20 0 CBADLP O=C(NCC[NH+]1CCOCC1)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000899248082 584754674 /nfs/dbraw/zinc/75/46/74/584754674.db2.gz MAGAXNCUGODPBQ-GRYCIOLGSA-N 2 2 268.361 -0.489 20 0 CBADLP O=C(NCC[NH+]1CCOCC1)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000899248083 584754690 /nfs/dbraw/zinc/75/46/90/584754690.db2.gz MAGAXNCUGODPBQ-QJPTWQEYSA-N 2 2 268.361 -0.489 20 0 CBADLP [NH3+]C[C@H]1C[C@H](NC(=O)NCC[NH+]2CCOCC2)C1 ZINC000899249377 584755081 /nfs/dbraw/zinc/75/50/81/584755081.db2.gz YPHPESXVLHRHIT-XYPYZODXSA-N 2 2 256.350 -0.645 20 0 CBADLP C[N@H+](CCO)CCNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC000899740348 584778916 /nfs/dbraw/zinc/77/89/16/584778916.db2.gz ISTIJVZVCFXUHI-CYBMUJFWSA-N 2 2 295.387 -0.170 20 0 CBADLP C[N@@H+](CCO)CCNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC000899740348 584778918 /nfs/dbraw/zinc/77/89/18/584778918.db2.gz ISTIJVZVCFXUHI-CYBMUJFWSA-N 2 2 295.387 -0.170 20 0 CBADLP C[NH+](CCO)CCNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC000899740348 584778922 /nfs/dbraw/zinc/77/89/22/584778922.db2.gz ISTIJVZVCFXUHI-CYBMUJFWSA-N 2 2 295.387 -0.170 20 0 CBADLP C[N@H+](CCO)CCNC(=O)c1cc([C@H]2CCC[NH+]2C)[nH]n1 ZINC000899740348 584778923 /nfs/dbraw/zinc/77/89/23/584778923.db2.gz ISTIJVZVCFXUHI-CYBMUJFWSA-N 2 2 295.387 -0.170 20 0 CBADLP C[N@@H+](CCO)CCNC(=O)c1cc([C@H]2CCC[NH+]2C)[nH]n1 ZINC000899740348 584778924 /nfs/dbraw/zinc/77/89/24/584778924.db2.gz ISTIJVZVCFXUHI-CYBMUJFWSA-N 2 2 295.387 -0.170 20 0 CBADLP C[NH+](CCO)CCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1 ZINC000899740348 584778926 /nfs/dbraw/zinc/77/89/26/584778926.db2.gz ISTIJVZVCFXUHI-CYBMUJFWSA-N 2 2 295.387 -0.170 20 0 CBADLP C[NH+](CCO)CCNC(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1 ZINC000899740348 584778928 /nfs/dbraw/zinc/77/89/28/584778928.db2.gz ISTIJVZVCFXUHI-CYBMUJFWSA-N 2 2 295.387 -0.170 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NCCC[NH+]1CCOCC1 ZINC000899920874 584784838 /nfs/dbraw/zinc/78/48/38/584784838.db2.gz NQDVYJRZPSEYPI-UHFFFAOYSA-N 2 2 252.318 -0.209 20 0 CBADLP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NCCCn1cc[nH+]c1 ZINC000899920532 584784981 /nfs/dbraw/zinc/78/49/81/584784981.db2.gz JSHGSBWSHBKYRW-DGCLKSJQSA-N 2 2 266.345 -0.156 20 0 CBADLP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NCCCn1cc[nH+]c1 ZINC000899920532 584784983 /nfs/dbraw/zinc/78/49/83/584784983.db2.gz JSHGSBWSHBKYRW-DGCLKSJQSA-N 2 2 266.345 -0.156 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C12CC[NH+](CC1)C2 ZINC000900210040 584795471 /nfs/dbraw/zinc/79/54/71/584795471.db2.gz XGLNYAIXLDEPME-LBPRGKRZSA-N 2 2 267.373 -0.081 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000900210003 584795550 /nfs/dbraw/zinc/79/55/50/584795550.db2.gz WNRBBKULVVUUKR-YRGRVCCFSA-N 2 2 285.388 -0.722 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC000900210003 584795552 /nfs/dbraw/zinc/79/55/52/584795552.db2.gz WNRBBKULVVUUKR-YRGRVCCFSA-N 2 2 285.388 -0.722 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000900210002 584795654 /nfs/dbraw/zinc/79/56/54/584795654.db2.gz WNRBBKULVVUUKR-MBNYWOFBSA-N 2 2 285.388 -0.722 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC000900210002 584795655 /nfs/dbraw/zinc/79/56/55/584795655.db2.gz WNRBBKULVVUUKR-MBNYWOFBSA-N 2 2 285.388 -0.722 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@]2(C)C[C@H](O)C[NH+]2C)CCO1 ZINC000900483981 584806917 /nfs/dbraw/zinc/80/69/17/584806917.db2.gz HXGNCOOMBIKXOQ-DYEKYZERSA-N 2 2 285.388 -0.722 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@]2(C)C[C@H](O)C[NH+]2C)CCO1 ZINC000900483981 584806918 /nfs/dbraw/zinc/80/69/18/584806918.db2.gz HXGNCOOMBIKXOQ-DYEKYZERSA-N 2 2 285.388 -0.722 20 0 CBADLP C[C@@H]1C[NH+](CCNC(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)CCO1 ZINC000900483981 584806919 /nfs/dbraw/zinc/80/69/19/584806919.db2.gz HXGNCOOMBIKXOQ-DYEKYZERSA-N 2 2 285.388 -0.722 20 0 CBADLP C[C@@H]1C[NH+](CCNC(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)CCO1 ZINC000900483981 584806920 /nfs/dbraw/zinc/80/69/20/584806920.db2.gz HXGNCOOMBIKXOQ-DYEKYZERSA-N 2 2 285.388 -0.722 20 0 CBADLP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NCC[NH+]1CCOCC1(C)C ZINC000900555602 584811389 /nfs/dbraw/zinc/81/13/89/584811389.db2.gz CLLLOACDNVRKEJ-IUODEOHRSA-N 2 2 299.415 -0.332 20 0 CBADLP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NCC[NH+]1CCOCC1(C)C ZINC000900555602 584811390 /nfs/dbraw/zinc/81/13/90/584811390.db2.gz CLLLOACDNVRKEJ-IUODEOHRSA-N 2 2 299.415 -0.332 20 0 CBADLP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000900555602 584811391 /nfs/dbraw/zinc/81/13/91/584811391.db2.gz CLLLOACDNVRKEJ-IUODEOHRSA-N 2 2 299.415 -0.332 20 0 CBADLP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000900555602 584811392 /nfs/dbraw/zinc/81/13/92/584811392.db2.gz CLLLOACDNVRKEJ-IUODEOHRSA-N 2 2 299.415 -0.332 20 0 CBADLP C[C@H](O)C[NH+]1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000900603681 584815393 /nfs/dbraw/zinc/81/53/93/584815393.db2.gz PCGOYCIVYLLKMH-JTQLQIEISA-N 2 2 252.318 -0.523 20 0 CBADLP C[N@@H+]1CCC[C@@](O)(CC(=O)NCCc2[nH]cc[nH+]2)C1 ZINC000900648218 584818858 /nfs/dbraw/zinc/81/88/58/584818858.db2.gz XMZNGHVRTFQKRY-CYBMUJFWSA-N 2 2 266.345 -0.085 20 0 CBADLP C[N@H+]1CCC[C@@](O)(CC(=O)NCCc2[nH]cc[nH+]2)C1 ZINC000900648218 584818860 /nfs/dbraw/zinc/81/88/60/584818860.db2.gz XMZNGHVRTFQKRY-CYBMUJFWSA-N 2 2 266.345 -0.085 20 0 CBADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)CNc1cccc[nH+]1 ZINC000900659366 584819446 /nfs/dbraw/zinc/81/94/46/584819446.db2.gz MOZNRNOWDFHKBW-GFCCVEGCSA-N 2 2 277.372 -0.145 20 0 CBADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)CNc1cccc[nH+]1 ZINC000900659366 584819448 /nfs/dbraw/zinc/81/94/48/584819448.db2.gz MOZNRNOWDFHKBW-GFCCVEGCSA-N 2 2 277.372 -0.145 20 0 CBADLP CN1CC[N@H+](C)[C@@H](CNC(=O)C[C@]2(O)CCC[NH+](C)C2)C1 ZINC000900659376 584819493 /nfs/dbraw/zinc/81/94/93/584819493.db2.gz MTIYHJRGDRZFGF-DZGCQCFKSA-N 2 2 298.431 -0.805 20 0 CBADLP CN1CC[N@@H+](C)[C@@H](CNC(=O)C[C@]2(O)CCC[NH+](C)C2)C1 ZINC000900659376 584819494 /nfs/dbraw/zinc/81/94/94/584819494.db2.gz MTIYHJRGDRZFGF-DZGCQCFKSA-N 2 2 298.431 -0.805 20 0 CBADLP CN1CC[NH+](C)[C@@H](CNC(=O)C[C@]2(O)CCC[N@H+](C)C2)C1 ZINC000900659376 584819496 /nfs/dbraw/zinc/81/94/96/584819496.db2.gz MTIYHJRGDRZFGF-DZGCQCFKSA-N 2 2 298.431 -0.805 20 0 CBADLP CN1CC[NH+](C)[C@@H](CNC(=O)C[C@]2(O)CCC[N@@H+](C)C2)C1 ZINC000900659376 584819497 /nfs/dbraw/zinc/81/94/97/584819497.db2.gz MTIYHJRGDRZFGF-DZGCQCFKSA-N 2 2 298.431 -0.805 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@H]3COC(=O)N3)C2)CC1 ZINC000900674135 584820637 /nfs/dbraw/zinc/82/06/37/584820637.db2.gz JJRWLYRWBZKGKL-CMPLNLGQSA-N 2 2 296.371 -0.621 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@H]3COC(=O)N3)C2)CC1 ZINC000900674135 584820640 /nfs/dbraw/zinc/82/06/40/584820640.db2.gz JJRWLYRWBZKGKL-CMPLNLGQSA-N 2 2 296.371 -0.621 20 0 CBADLP COCC[NH+]1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000900684267 584821397 /nfs/dbraw/zinc/82/13/97/584821397.db2.gz LOQSEJIOUJJLHO-UHFFFAOYSA-N 2 2 267.373 -0.127 20 0 CBADLP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000900718376 584824451 /nfs/dbraw/zinc/82/44/51/584824451.db2.gz SDDJJUXGTXYYHA-DGCLKSJQSA-N 2 2 264.329 -0.279 20 0 CBADLP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000900718376 584824453 /nfs/dbraw/zinc/82/44/53/584824453.db2.gz SDDJJUXGTXYYHA-DGCLKSJQSA-N 2 2 264.329 -0.279 20 0 CBADLP C[C@H](NC(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C)[C@@H]1C[NH+](C)CCO1 ZINC000901140326 584851544 /nfs/dbraw/zinc/85/15/44/584851544.db2.gz WQVIKIZJXJBWKH-OPDFLTKYSA-N 2 2 285.388 -0.723 20 0 CBADLP C[C@H](NC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C)[C@@H]1C[NH+](C)CCO1 ZINC000901140326 584851545 /nfs/dbraw/zinc/85/15/45/584851545.db2.gz WQVIKIZJXJBWKH-OPDFLTKYSA-N 2 2 285.388 -0.723 20 0 CBADLP C[C@H](NC(=O)[C@]1(C)C[C@@H](O)C[NH+]1C)[C@@H]1C[N@H+](C)CCO1 ZINC000901140326 584851547 /nfs/dbraw/zinc/85/15/47/584851547.db2.gz WQVIKIZJXJBWKH-OPDFLTKYSA-N 2 2 285.388 -0.723 20 0 CBADLP C[C@H](NC(=O)[C@]1(C)C[C@@H](O)C[NH+]1C)[C@@H]1C[N@@H+](C)CCO1 ZINC000901140326 584851548 /nfs/dbraw/zinc/85/15/48/584851548.db2.gz WQVIKIZJXJBWKH-OPDFLTKYSA-N 2 2 285.388 -0.723 20 0 CBADLP C/C(=C/C(=O)NC[C@](C)(O)C[NH+](C)C)C[NH+]1CCOCC1 ZINC000901186290 584854209 /nfs/dbraw/zinc/85/42/09/584854209.db2.gz KPIGWXPOYUOPGF-CTXBLAANSA-N 2 2 299.415 -0.306 20 0 CBADLP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2nnc3n2CCNC3=O)C1 ZINC000902401843 584876310 /nfs/dbraw/zinc/87/63/10/584876310.db2.gz FXVZTCHCCMSGOS-JTQLQIEISA-N 2 2 292.387 -0.111 20 0 CBADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCCc1nnnn1C ZINC000902463058 584877397 /nfs/dbraw/zinc/87/73/97/584877397.db2.gz ZDKUPTRQLHFMCC-QWRGUYRKSA-N 2 2 268.365 -0.501 20 0 CBADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCCn1ccc(=O)[nH]c1=O ZINC000902522431 584878058 /nfs/dbraw/zinc/87/80/58/584878058.db2.gz WWGLKOOESBXUMQ-RYUDHWBXSA-N 2 2 296.371 -0.304 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CCO)C2)CC1 ZINC000902861232 584885431 /nfs/dbraw/zinc/88/54/31/584885431.db2.gz KAEWXIXGJYPBBU-NSHDSACASA-N 2 2 255.362 -0.347 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CCO)C2)CC1 ZINC000902861232 584885432 /nfs/dbraw/zinc/88/54/32/584885432.db2.gz KAEWXIXGJYPBBU-NSHDSACASA-N 2 2 255.362 -0.347 20 0 CBADLP C[C@@H]1C[C@H]([NH2+]C[C@@]2(CO)COCCN2C)C[N@@H+]1C1CC1 ZINC000903282434 584889938 /nfs/dbraw/zinc/88/99/38/584889938.db2.gz UAAHYDNBZLEMPM-VNHYZAJKSA-N 2 2 283.416 -0.106 20 0 CBADLP C[C@@H]1C[C@H]([NH2+]C[C@@]2(CO)COCCN2C)C[N@H+]1C1CC1 ZINC000903282434 584889940 /nfs/dbraw/zinc/88/99/40/584889940.db2.gz UAAHYDNBZLEMPM-VNHYZAJKSA-N 2 2 283.416 -0.106 20 0 CBADLP CC(C)NC(=O)C(=O)N1CC[NH+](C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903429538 584890280 /nfs/dbraw/zinc/89/02/80/584890280.db2.gz GCGONZQDULXRHI-OLZOCXBDSA-N 2 2 296.415 -0.489 20 0 CBADLP COCC[N@@H+](CC(=O)N(C)C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903431470 584890315 /nfs/dbraw/zinc/89/03/15/584890315.db2.gz VQVNXXRMEPVECR-NEPJUHHUSA-N 2 2 257.378 -0.122 20 0 CBADLP COCC[N@H+](CC(=O)N(C)C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903431470 584890316 /nfs/dbraw/zinc/89/03/16/584890316.db2.gz VQVNXXRMEPVECR-NEPJUHHUSA-N 2 2 257.378 -0.122 20 0 CBADLP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000903431264 584890323 /nfs/dbraw/zinc/89/03/23/584890323.db2.gz PSCGBHIQPBJQJL-NEPJUHHUSA-N 2 2 294.399 -0.735 20 0 CBADLP O=C(C[NH+]1CCN(C[C@H]2CCC[NH2+]2)CC1)NC1CC1 ZINC000903441533 584890517 /nfs/dbraw/zinc/89/05/17/584890517.db2.gz WUFWQMQIJRTULR-CYBMUJFWSA-N 2 2 266.389 -0.365 20 0 CBADLP CC(C)NC(=O)CN1CC[NH+](C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903441435 584890543 /nfs/dbraw/zinc/89/05/43/584890543.db2.gz RTJLSCRBSOPRBI-KGLIPLIRSA-N 2 2 282.432 -0.016 20 0 CBADLP CC(C)NC(=O)C[NH+]1CCN(C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903441435 584890544 /nfs/dbraw/zinc/89/05/44/584890544.db2.gz RTJLSCRBSOPRBI-KGLIPLIRSA-N 2 2 282.432 -0.016 20 0 CBADLP COC(=O)CN(CC[NH+]1CCOCC1)C[C@H]1CCC[NH2+]1 ZINC000903454881 584890697 /nfs/dbraw/zinc/89/06/97/584890697.db2.gz MHSNWQQYCFQRDE-CYBMUJFWSA-N 2 2 285.388 -0.454 20 0 CBADLP COC(=O)CN(C)C(=O)CC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903472032 584890942 /nfs/dbraw/zinc/89/09/42/584890942.db2.gz PRWXFYNQQQEXIX-NSHDSACASA-N 2 2 283.372 -0.118 20 0 CBADLP CNC(=O)NC(=O)CC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903467599 584890951 /nfs/dbraw/zinc/89/09/51/584890951.db2.gz CVYBWOOFGARBTK-SECBINFHSA-N 2 2 254.334 -0.294 20 0 CBADLP CCS(=O)(=O)NCC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903470909 584891001 /nfs/dbraw/zinc/89/10/01/584891001.db2.gz PKZSHMWDVGVDEY-JTQLQIEISA-N 2 2 261.391 -0.200 20 0 CBADLP CS(=O)(=O)NC[C@@H]1COCC[N@@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903474483 584891127 /nfs/dbraw/zinc/89/11/27/584891127.db2.gz NJCMBJFMLBCODS-GRYCIOLGSA-N 2 2 291.417 -0.636 20 0 CBADLP CS(=O)(=O)NC[C@@H]1COCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903474483 584891128 /nfs/dbraw/zinc/89/11/28/584891128.db2.gz NJCMBJFMLBCODS-GRYCIOLGSA-N 2 2 291.417 -0.636 20 0 CBADLP CS(=O)(=O)NCC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000903484651 584891218 /nfs/dbraw/zinc/89/12/18/584891218.db2.gz UNADZSSVYDCHLH-SNVBAGLBSA-N 2 2 261.391 -0.200 20 0 CBADLP O=C1CNC(=O)N1CC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000903485180 584891246 /nfs/dbraw/zinc/89/12/46/584891246.db2.gz KMMNHUNEYJMXQS-SNVBAGLBSA-N 2 2 266.345 -0.198 20 0 CBADLP Cn1c[nH+]c(CNS(=O)(=O)[C@@H]2CCC[NH2+]C2)c1 ZINC000903559303 584893271 /nfs/dbraw/zinc/89/32/71/584893271.db2.gz JVDMLIHEDVCHJA-SNVBAGLBSA-N 2 2 258.347 -0.409 20 0 CBADLP COCC[C@@H](C)S(=O)(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000903565974 584893399 /nfs/dbraw/zinc/89/33/99/584893399.db2.gz WHXRYTCBGCDUFZ-LLVKDONJSA-N 2 2 293.433 -0.246 20 0 CBADLP C[C@H]([NH3+])[C@@H]1C[N@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CCO1 ZINC000903717127 584895617 /nfs/dbraw/zinc/89/56/17/584895617.db2.gz HEILCSHVASTHON-XDQVBPFNSA-N 3 2 269.389 -0.197 20 0 CBADLP C[C@H]([NH3+])[C@@H]1C[N@@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CCO1 ZINC000903717127 584895618 /nfs/dbraw/zinc/89/56/18/584895618.db2.gz HEILCSHVASTHON-XDQVBPFNSA-N 3 2 269.389 -0.197 20 0 CBADLP [NH3+][C@]12CCC[C@H]1C[N@H+](CCN1CCCS1(=O)=O)C2 ZINC000903769505 584898428 /nfs/dbraw/zinc/89/84/28/584898428.db2.gz HYKPLJFRXKVNIW-RYUDHWBXSA-N 2 2 273.402 -0.165 20 0 CBADLP [NH3+][C@]12CCC[C@H]1C[N@@H+](CCN1CCCS1(=O)=O)C2 ZINC000903769505 584898429 /nfs/dbraw/zinc/89/84/29/584898429.db2.gz HYKPLJFRXKVNIW-RYUDHWBXSA-N 2 2 273.402 -0.165 20 0 CBADLP OCC[NH2+][C@@H]1CCC[N@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903770302 584898483 /nfs/dbraw/zinc/89/84/83/584898483.db2.gz FQMDXYLFYSWREN-KFWWJZLASA-N 3 2 283.416 -0.199 20 0 CBADLP OCC[NH2+][C@@H]1CCC[N@@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903770302 584898485 /nfs/dbraw/zinc/89/84/85/584898485.db2.gz FQMDXYLFYSWREN-KFWWJZLASA-N 3 2 283.416 -0.199 20 0 CBADLP NC(=O)C[C@H]1C[N@H+](C[C@@H]2CCCC[NH2+]C2)CCO1 ZINC000903775449 584899190 /nfs/dbraw/zinc/89/91/90/584899190.db2.gz LBPJPNBCUUOJDJ-NEPJUHHUSA-N 2 2 255.362 -0.048 20 0 CBADLP NC(=O)C[C@H]1C[N@@H+](C[C@@H]2CCCC[NH2+]C2)CCO1 ZINC000903775449 584899191 /nfs/dbraw/zinc/89/91/91/584899191.db2.gz LBPJPNBCUUOJDJ-NEPJUHHUSA-N 2 2 255.362 -0.048 20 0 CBADLP [NH3+][C@]1(CO)CCC[N@H+](C[C@@H]2C[C@H]3COC[C@H]3O2)C1 ZINC000903788423 584899770 /nfs/dbraw/zinc/89/97/70/584899770.db2.gz KNGQOVRJHKZWPR-WUHRBBMRSA-N 2 2 256.346 -0.424 20 0 CBADLP [NH3+][C@]1(CO)CCC[N@@H+](C[C@@H]2C[C@H]3COC[C@H]3O2)C1 ZINC000903788423 584899771 /nfs/dbraw/zinc/89/97/71/584899771.db2.gz KNGQOVRJHKZWPR-WUHRBBMRSA-N 2 2 256.346 -0.424 20 0 CBADLP Cn1c(C[N@@H+]2CCC[C@@H]3CC[C@]32C[NH3+])cc(=O)n(C)c1=O ZINC000903799370 584900066 /nfs/dbraw/zinc/90/00/66/584900066.db2.gz RNRJCEMSQOYNRP-ABAIWWIYSA-N 2 2 292.383 -0.213 20 0 CBADLP Cn1c(C[N@H+]2CCC[C@@H]3CC[C@]32C[NH3+])cc(=O)n(C)c1=O ZINC000903799370 584900067 /nfs/dbraw/zinc/90/00/67/584900067.db2.gz RNRJCEMSQOYNRP-ABAIWWIYSA-N 2 2 292.383 -0.213 20 0 CBADLP [NH3+]C[C@@]12CC[C@H]1CCC[N@@H+]2CCN1C(=O)CNC1=O ZINC000903796539 584900133 /nfs/dbraw/zinc/90/01/33/584900133.db2.gz AGJYVNNUUWTWNN-MFKMUULPSA-N 2 2 266.345 -0.259 20 0 CBADLP [NH3+]C[C@@]12CC[C@H]1CCC[N@H+]2CCN1C(=O)CNC1=O ZINC000903796539 584900135 /nfs/dbraw/zinc/90/01/35/584900135.db2.gz AGJYVNNUUWTWNN-MFKMUULPSA-N 2 2 266.345 -0.259 20 0 CBADLP CCNC(=O)NC(=O)C[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903816617 584900891 /nfs/dbraw/zinc/90/08/91/584900891.db2.gz XPNKWESBVNWLBA-UHFFFAOYSA-N 2 2 298.387 -0.323 20 0 CBADLP CCNC(=O)NC(=O)C[N@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903816617 584900893 /nfs/dbraw/zinc/90/08/93/584900893.db2.gz XPNKWESBVNWLBA-UHFFFAOYSA-N 2 2 298.387 -0.323 20 0 CBADLP CS(=O)(=O)C[C@@H]1C[N@H+](CC[C@H]2CC[NH2+]C2)CCO1 ZINC000903824963 584901003 /nfs/dbraw/zinc/90/10/03/584901003.db2.gz WJGNBSWDXVGZLA-NEPJUHHUSA-N 2 2 276.402 -0.269 20 0 CBADLP CS(=O)(=O)C[C@@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)CCO1 ZINC000903824963 584901004 /nfs/dbraw/zinc/90/10/04/584901004.db2.gz WJGNBSWDXVGZLA-NEPJUHHUSA-N 2 2 276.402 -0.269 20 0 CBADLP O=S1(=O)C[C@H]2C[N@@H+](C[C@@H]3CCC[NH2+]C3)C[C@H]2C1 ZINC000903827502 584901238 /nfs/dbraw/zinc/90/12/38/584901238.db2.gz UQDLIQNUOWWARJ-UTUOFQBUSA-N 2 2 258.387 -0.038 20 0 CBADLP O=S1(=O)C[C@H]2C[N@H+](C[C@@H]3CCC[NH2+]C3)C[C@H]2C1 ZINC000903827502 584901239 /nfs/dbraw/zinc/90/12/39/584901239.db2.gz UQDLIQNUOWWARJ-UTUOFQBUSA-N 2 2 258.387 -0.038 20 0 CBADLP [NH3+]C[C@@]12CC[C@@H]1CC[N@@H+]2CCN1C(=O)CCC1=O ZINC000903852332 584902025 /nfs/dbraw/zinc/90/20/25/584902025.db2.gz ABDVFQXHDQEWEF-MFKMUULPSA-N 2 2 251.330 -0.051 20 0 CBADLP [NH3+]C[C@@]12CC[C@@H]1CC[N@H+]2CCN1C(=O)CCC1=O ZINC000903852332 584902026 /nfs/dbraw/zinc/90/20/26/584902026.db2.gz ABDVFQXHDQEWEF-MFKMUULPSA-N 2 2 251.330 -0.051 20 0 CBADLP COC(=O)CN(C)C(=O)CC[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903865692 584902744 /nfs/dbraw/zinc/90/27/44/584902744.db2.gz DXDLDUWXUCJKOJ-CQSZACIVSA-N 2 2 283.372 -0.164 20 0 CBADLP COC(=O)CN(C)C(=O)CC[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903865692 584902745 /nfs/dbraw/zinc/90/27/45/584902745.db2.gz DXDLDUWXUCJKOJ-CQSZACIVSA-N 2 2 283.372 -0.164 20 0 CBADLP O=C(CC[N@@H+]1CCC[C@]12CC[NH2+]C2)N1CC[NH2+]CC1 ZINC000903868493 584902776 /nfs/dbraw/zinc/90/27/76/584902776.db2.gz ZGKLFLJFVUHERZ-CQSZACIVSA-N 3 2 266.389 -0.364 20 0 CBADLP O=C(CC[N@H+]1CCC[C@]12CC[NH2+]C2)N1CC[NH2+]CC1 ZINC000903868493 584902778 /nfs/dbraw/zinc/90/27/78/584902778.db2.gz ZGKLFLJFVUHERZ-CQSZACIVSA-N 3 2 266.389 -0.364 20 0 CBADLP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000903873832 584902972 /nfs/dbraw/zinc/90/29/72/584902972.db2.gz MNBKNYUILPASIY-VHSXEESVSA-N 3 2 278.347 -0.244 20 0 CBADLP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000903873832 584902973 /nfs/dbraw/zinc/90/29/73/584902973.db2.gz MNBKNYUILPASIY-VHSXEESVSA-N 3 2 278.347 -0.244 20 0 CBADLP CCOC(=O)[C@H]1C[N@H+](CCN2CC[NH2+]CC2)CCO1 ZINC000903876379 584903319 /nfs/dbraw/zinc/90/33/19/584903319.db2.gz XSZBRKUEOUYJQA-GFCCVEGCSA-N 2 2 271.361 -0.845 20 0 CBADLP CCOC(=O)[C@H]1C[N@@H+](CCN2CC[NH2+]CC2)CCO1 ZINC000903876379 584903321 /nfs/dbraw/zinc/90/33/21/584903321.db2.gz XSZBRKUEOUYJQA-GFCCVEGCSA-N 2 2 271.361 -0.845 20 0 CBADLP Cc1c(C[C@H](C[NH3+])C[N@@H+]2C[C@@H]3COC[C@H](C2)O3)cnn1C ZINC000903915877 584904502 /nfs/dbraw/zinc/90/45/02/584904502.db2.gz CUZPGAUWZUNUDV-YUELXQCFSA-N 2 2 294.399 -0.054 20 0 CBADLP Cc1c(C[C@H](C[NH3+])C[N@H+]2C[C@@H]3COC[C@H](C2)O3)cnn1C ZINC000903915877 584904504 /nfs/dbraw/zinc/90/45/04/584904504.db2.gz CUZPGAUWZUNUDV-YUELXQCFSA-N 2 2 294.399 -0.054 20 0 CBADLP C[N@@H+]1CCN(Cc2cnnn2[C@H]2CCC[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000903918228 584904727 /nfs/dbraw/zinc/90/47/27/584904727.db2.gz VLALRROOHOMQON-STQMWFEESA-N 3 2 293.419 -0.723 20 0 CBADLP C[N@H+]1CCN(Cc2cnnn2[C@H]2CCC[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000903918228 584904729 /nfs/dbraw/zinc/90/47/29/584904729.db2.gz VLALRROOHOMQON-STQMWFEESA-N 3 2 293.419 -0.723 20 0 CBADLP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCO[C@@H]([C@H](C)O)C2)cnn1C ZINC000903930124 584904738 /nfs/dbraw/zinc/90/47/38/584904738.db2.gz SRGNKKYIKFKLRS-GZBFAFLISA-N 2 2 296.415 -0.072 20 0 CBADLP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCO[C@@H]([C@H](C)O)C2)cnn1C ZINC000903930124 584904739 /nfs/dbraw/zinc/90/47/39/584904739.db2.gz SRGNKKYIKFKLRS-GZBFAFLISA-N 2 2 296.415 -0.072 20 0 CBADLP CN1CC[N@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)CCC1=O ZINC000903933405 584904898 /nfs/dbraw/zinc/90/48/98/584904898.db2.gz QOICYLKWSSSZPA-LBPRGKRZSA-N 2 2 292.387 -0.133 20 0 CBADLP CN1CC[N@@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)CCC1=O ZINC000903933405 584904899 /nfs/dbraw/zinc/90/48/99/584904899.db2.gz QOICYLKWSSSZPA-LBPRGKRZSA-N 2 2 292.387 -0.133 20 0 CBADLP CC[NH+]1CCC([NH2+]CC[C@H]2CNCCS2(=O)=O)CC1 ZINC000903969789 584905386 /nfs/dbraw/zinc/90/53/86/584905386.db2.gz LDEDGRPJOJBMQN-ZDUSSCGKSA-N 2 2 289.445 -0.163 20 0 CBADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH+](C)CC(N)=O)C1 ZINC000971525597 614340869 /nfs/dbraw/zinc/34/08/69/614340869.db2.gz PDLUSAUWXBHYAO-QWHCGFSZSA-N 2 2 296.415 -0.123 20 0 CBADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH+](C)CC(N)=O)C1 ZINC000971525597 614340871 /nfs/dbraw/zinc/34/08/71/614340871.db2.gz PDLUSAUWXBHYAO-QWHCGFSZSA-N 2 2 296.415 -0.123 20 0 CBADLP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)CC(N)=O)C1 ZINC000971525597 614340872 /nfs/dbraw/zinc/34/08/72/614340872.db2.gz PDLUSAUWXBHYAO-QWHCGFSZSA-N 2 2 296.415 -0.123 20 0 CBADLP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)CC(N)=O)C1 ZINC000971525597 614340874 /nfs/dbraw/zinc/34/08/74/614340874.db2.gz PDLUSAUWXBHYAO-QWHCGFSZSA-N 2 2 296.415 -0.123 20 0 CBADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CC(N)=O)C1 ZINC000971525598 614351699 /nfs/dbraw/zinc/35/16/99/614351699.db2.gz PDLUSAUWXBHYAO-STQMWFEESA-N 2 2 296.415 -0.123 20 0 CBADLP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CC(N)=O)C1 ZINC000971525598 614351700 /nfs/dbraw/zinc/35/17/00/614351700.db2.gz PDLUSAUWXBHYAO-STQMWFEESA-N 2 2 296.415 -0.123 20 0 CBADLP CC(C)[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CC(N)=O)C1 ZINC000971525598 614351702 /nfs/dbraw/zinc/35/17/02/614351702.db2.gz PDLUSAUWXBHYAO-STQMWFEESA-N 2 2 296.415 -0.123 20 0 CBADLP CC(C)[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CC(N)=O)C1 ZINC000971525598 614351703 /nfs/dbraw/zinc/35/17/03/614351703.db2.gz PDLUSAUWXBHYAO-STQMWFEESA-N 2 2 296.415 -0.123 20 0 CBADLP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)C1C[NH+](CCCO)C1 ZINC000949779798 614619701 /nfs/dbraw/zinc/61/97/01/614619701.db2.gz DXBHVSZIGSQKFZ-ZDUSSCGKSA-N 2 2 269.389 -0.004 20 0 CBADLP CCN(C(=O)[C@@H]1CCC[N@H+]1C)C1C[NH+](CCCO)C1 ZINC000949779798 614619705 /nfs/dbraw/zinc/61/97/05/614619705.db2.gz DXBHVSZIGSQKFZ-ZDUSSCGKSA-N 2 2 269.389 -0.004 20 0 CBADLP CCN(C(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C1C[NH+](CCO)C1 ZINC000950381388 614636403 /nfs/dbraw/zinc/63/64/03/614636403.db2.gz RSTPYZDMHAQKIH-OCCSQVGLSA-N 2 2 297.399 -0.625 20 0 CBADLP CCN(C(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C1C[NH+](CCO)C1 ZINC000950381388 614636407 /nfs/dbraw/zinc/63/64/07/614636407.db2.gz RSTPYZDMHAQKIH-OCCSQVGLSA-N 2 2 297.399 -0.625 20 0 CBADLP CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)C1C[NH+](CCO)C1 ZINC000950096814 614636831 /nfs/dbraw/zinc/63/68/31/614636831.db2.gz DFGOQJICBCRCDM-CQSZACIVSA-N 2 2 281.400 -0.147 20 0 CBADLP CCN(C(=O)[C@H]1CCC[N@@H+]1C)C1C[NH+](CCCO)C1 ZINC000949779796 614671076 /nfs/dbraw/zinc/67/10/76/614671076.db2.gz DXBHVSZIGSQKFZ-CYBMUJFWSA-N 2 2 269.389 -0.004 20 0 CBADLP CCN(C(=O)[C@H]1CCC[N@H+]1C)C1C[NH+](CCCO)C1 ZINC000949779796 614671077 /nfs/dbraw/zinc/67/10/77/614671077.db2.gz DXBHVSZIGSQKFZ-CYBMUJFWSA-N 2 2 269.389 -0.004 20 0 CBADLP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CC(N)=O)C1 ZINC000971640372 614677926 /nfs/dbraw/zinc/67/79/26/614677926.db2.gz FHJZRKOAWNUVNQ-STQMWFEESA-N 2 2 296.415 -0.121 20 0 CBADLP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CC(N)=O)C1 ZINC000971640372 614677927 /nfs/dbraw/zinc/67/79/27/614677927.db2.gz FHJZRKOAWNUVNQ-STQMWFEESA-N 2 2 296.415 -0.121 20 0 CBADLP CCC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CC(N)=O)C1 ZINC000971640372 614677928 /nfs/dbraw/zinc/67/79/28/614677928.db2.gz FHJZRKOAWNUVNQ-STQMWFEESA-N 2 2 296.415 -0.121 20 0 CBADLP CCC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CC(N)=O)C1 ZINC000971640372 614677929 /nfs/dbraw/zinc/67/79/29/614677929.db2.gz FHJZRKOAWNUVNQ-STQMWFEESA-N 2 2 296.415 -0.121 20 0 CBADLP CC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC2)C1 ZINC000941356888 615087500 /nfs/dbraw/zinc/08/75/00/615087500.db2.gz HMHANBYRCDEEOD-AWEZNQCLSA-N 2 2 296.415 -0.835 20 0 CBADLP CC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)C1 ZINC000941356888 615087501 /nfs/dbraw/zinc/08/75/01/615087501.db2.gz HMHANBYRCDEEOD-AWEZNQCLSA-N 2 2 296.415 -0.835 20 0 CBADLP CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC000972315830 615178398 /nfs/dbraw/zinc/17/83/98/615178398.db2.gz KBNQZZOHERQTKX-ZFWWWQNUSA-N 2 2 297.399 -0.360 20 0 CBADLP CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC000972315830 615178400 /nfs/dbraw/zinc/17/84/00/615178400.db2.gz KBNQZZOHERQTKX-ZFWWWQNUSA-N 2 2 297.399 -0.360 20 0 CBADLP CC[NH+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC000972315830 615178401 /nfs/dbraw/zinc/17/84/01/615178401.db2.gz KBNQZZOHERQTKX-ZFWWWQNUSA-N 2 2 297.399 -0.360 20 0 CBADLP CC[NH+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000972315830 615178402 /nfs/dbraw/zinc/17/84/02/615178402.db2.gz KBNQZZOHERQTKX-ZFWWWQNUSA-N 2 2 297.399 -0.360 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](C[C@H](C)OC)CC2)C1 ZINC000957721073 615181258 /nfs/dbraw/zinc/18/12/58/615181258.db2.gz VRBAZAOOZPLEGL-KBPBESRZSA-N 2 2 299.415 -0.114 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[NH+](C[C@H](C)OC)CC2)C1 ZINC000957721073 615181261 /nfs/dbraw/zinc/18/12/61/615181261.db2.gz VRBAZAOOZPLEGL-KBPBESRZSA-N 2 2 299.415 -0.114 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000972426225 615394630 /nfs/dbraw/zinc/39/46/30/615394630.db2.gz KXDOLBNVJLFIGH-RYUDHWBXSA-N 2 2 293.371 -0.251 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000972426225 615394633 /nfs/dbraw/zinc/39/46/33/615394633.db2.gz KXDOLBNVJLFIGH-RYUDHWBXSA-N 2 2 293.371 -0.251 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2C[NH+](CC(N)=O)C2)CC[N@@H+]1C ZINC000969690675 615585023 /nfs/dbraw/zinc/58/50/23/615585023.db2.gz QHCBWQYIUPRVPT-WCFLWFBJSA-N 2 2 296.415 -0.362 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2C[NH+](CC(N)=O)C2)CC[N@H+]1C ZINC000969690675 615585024 /nfs/dbraw/zinc/58/50/24/615585024.db2.gz QHCBWQYIUPRVPT-WCFLWFBJSA-N 2 2 296.415 -0.362 20 0 CBADLP CC[C@H](C(=O)N1CCC[N@@H+]([C@@H]2CCNC2=O)CC1)[NH+](C)C ZINC000981438484 615600848 /nfs/dbraw/zinc/60/08/48/615600848.db2.gz WAIWGPSYKROMAR-CHWSQXEVSA-N 2 2 296.415 -0.251 20 0 CBADLP CC[C@H](C(=O)N1CCC[N@H+]([C@@H]2CCNC2=O)CC1)[NH+](C)C ZINC000981438484 615600849 /nfs/dbraw/zinc/60/08/49/615600849.db2.gz WAIWGPSYKROMAR-CHWSQXEVSA-N 2 2 296.415 -0.251 20 0 CBADLP C[N@H+](CCO)[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000971658133 616109957 /nfs/dbraw/zinc/10/99/57/616109957.db2.gz LARLBPQCKBEONA-GFCCVEGCSA-N 2 2 266.345 -0.133 20 0 CBADLP C[N@@H+](CCO)[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000971658133 616109958 /nfs/dbraw/zinc/10/99/58/616109958.db2.gz LARLBPQCKBEONA-GFCCVEGCSA-N 2 2 266.345 -0.133 20 0 CBADLP C[N@H+](CCO)[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000971658133 616109959 /nfs/dbraw/zinc/10/99/59/616109959.db2.gz LARLBPQCKBEONA-GFCCVEGCSA-N 2 2 266.345 -0.133 20 0 CBADLP C[N@@H+](CCO)[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000971658133 616109960 /nfs/dbraw/zinc/10/99/60/616109960.db2.gz LARLBPQCKBEONA-GFCCVEGCSA-N 2 2 266.345 -0.133 20 0 CBADLP C[N@H+](CCO)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000972426881 616110213 /nfs/dbraw/zinc/11/02/13/616110213.db2.gz RHCZDTRCTGDVNC-LLVKDONJSA-N 2 2 252.318 -0.523 20 0 CBADLP C[N@@H+](CCO)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000972426881 616110215 /nfs/dbraw/zinc/11/02/15/616110215.db2.gz RHCZDTRCTGDVNC-LLVKDONJSA-N 2 2 252.318 -0.523 20 0 CBADLP C[N@H+]([C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1)[C@H]1CCNC1=O ZINC000972430065 616116394 /nfs/dbraw/zinc/11/63/94/616116394.db2.gz YRSZJKOAMPWQQO-RYUDHWBXSA-N 2 2 291.355 -0.627 20 0 CBADLP C[N@@H+]([C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1)[C@H]1CCNC1=O ZINC000972430065 616116395 /nfs/dbraw/zinc/11/63/95/616116395.db2.gz YRSZJKOAMPWQQO-RYUDHWBXSA-N 2 2 291.355 -0.627 20 0 CBADLP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC(N)=O)C[C@H]21 ZINC000960584572 616180850 /nfs/dbraw/zinc/18/08/50/616180850.db2.gz YSRVTMAXJQGKKM-XZUYRWCXSA-N 2 2 280.372 -0.998 20 0 CBADLP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC(N)=O)C[C@H]21 ZINC000960584572 616180851 /nfs/dbraw/zinc/18/08/51/616180851.db2.gz YSRVTMAXJQGKKM-XZUYRWCXSA-N 2 2 280.372 -0.998 20 0 CBADLP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC000960584572 616180852 /nfs/dbraw/zinc/18/08/52/616180852.db2.gz YSRVTMAXJQGKKM-XZUYRWCXSA-N 2 2 280.372 -0.998 20 0 CBADLP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC000960584572 616180853 /nfs/dbraw/zinc/18/08/53/616180853.db2.gz YSRVTMAXJQGKKM-XZUYRWCXSA-N 2 2 280.372 -0.998 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCF)C[C@H]32)C1 ZINC000958475515 616260158 /nfs/dbraw/zinc/26/01/58/616260158.db2.gz XDYARYCFQWHBGA-WHOHXGKFSA-N 2 2 271.336 -0.667 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCF)C[C@H]32)C1 ZINC000958475515 616260159 /nfs/dbraw/zinc/26/01/59/616260159.db2.gz XDYARYCFQWHBGA-WHOHXGKFSA-N 2 2 271.336 -0.667 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CCF)C[C@H]32)C1 ZINC000958475515 616260160 /nfs/dbraw/zinc/26/01/60/616260160.db2.gz XDYARYCFQWHBGA-WHOHXGKFSA-N 2 2 271.336 -0.667 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCF)C[C@H]32)C1 ZINC000958475515 616260161 /nfs/dbraw/zinc/26/01/61/616260161.db2.gz XDYARYCFQWHBGA-WHOHXGKFSA-N 2 2 271.336 -0.667 20 0 CBADLP COCC[N@@H+]1C[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC000972991264 616455511 /nfs/dbraw/zinc/45/55/11/616455511.db2.gz HJHMZBHKVHVRLW-OLZOCXBDSA-N 2 2 299.415 -0.210 20 0 CBADLP COCC[N@H+]1C[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC000972991264 616455513 /nfs/dbraw/zinc/45/55/13/616455513.db2.gz HJHMZBHKVHVRLW-OLZOCXBDSA-N 2 2 299.415 -0.210 20 0 CBADLP COCC[NH+]1C[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C(C)(C)C1 ZINC000972991264 616455514 /nfs/dbraw/zinc/45/55/14/616455514.db2.gz HJHMZBHKVHVRLW-OLZOCXBDSA-N 2 2 299.415 -0.210 20 0 CBADLP COCC[NH+]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C(C)(C)C1 ZINC000972991264 616455516 /nfs/dbraw/zinc/45/55/16/616455516.db2.gz HJHMZBHKVHVRLW-OLZOCXBDSA-N 2 2 299.415 -0.210 20 0 CBADLP CCO[C@H](C[NH2+]C[C@H](O)C1(O)CCC1)C[NH+](C)C ZINC000905577004 656362315 /nfs/dbraw/zinc/36/23/15/656362315.db2.gz SQTPYLDDYQHNCV-NEPJUHHUSA-N 2 2 260.378 -0.181 20 0 CBADLP O=S(=O)([C@H]1CCC[NH2+]C1)N1CC[NH2+]C[C@@H]1C(F)F ZINC000923641756 658371613 /nfs/dbraw/zinc/37/16/13/658371613.db2.gz XYLOTIBWCANEDW-DTWKUNHWSA-N 2 2 283.344 -0.393 20 0 CBADLP C[NH+](C)CC(C)(C)[NH2+]CC1CN(S(C)(=O)=O)C1 ZINC000930684301 659322393 /nfs/dbraw/zinc/32/23/93/659322393.db2.gz OPPYGMDUSHGWEE-UHFFFAOYSA-N 2 2 263.407 -0.192 20 0 CBADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000935018037 659815825 /nfs/dbraw/zinc/81/58/25/659815825.db2.gz VKYNBYVQMBTLPG-KGLIPLIRSA-N 2 2 280.416 -0.025 20 0 CBADLP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000935018037 659815828 /nfs/dbraw/zinc/81/58/28/659815828.db2.gz VKYNBYVQMBTLPG-KGLIPLIRSA-N 2 2 280.416 -0.025 20 0 CBADLP CC[NH+]1CCN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000019428882 655996789 /nfs/dbraw/zinc/99/67/89/655996789.db2.gz MVPXXLTVUVGOPC-LLVKDONJSA-N 2 2 261.391 -0.294 20 0 CBADLP O=S(=O)(N1CC[NH2+]CC1)N1CC[NH+](CC2CC2)CC1 ZINC000040861442 656006463 /nfs/dbraw/zinc/00/64/63/656006463.db2.gz XNCDXNBGQXHEHR-UHFFFAOYSA-N 2 2 288.417 -0.836 20 0 CBADLP CC[NH2+]CC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000044649873 656010351 /nfs/dbraw/zinc/01/03/51/656010351.db2.gz WVRXCNXVFXIQEL-GFCCVEGCSA-N 2 2 255.362 -0.081 20 0 CBADLP OCCN(CC[NH+]1CCOCC1)C[C@H]1CCC[NH2+]1 ZINC000236512805 656115638 /nfs/dbraw/zinc/11/56/38/656115638.db2.gz DKDQZSOVUMAYFV-CYBMUJFWSA-N 2 2 257.378 -0.635 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]([NH3+])CC1CC1 ZINC000310771434 656144326 /nfs/dbraw/zinc/14/43/26/656144326.db2.gz UDQSLLBQJBITIS-CMPLNLGQSA-N 2 2 255.362 -0.049 20 0 CBADLP CC(=O)N[C@@H]1CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000311010910 656145075 /nfs/dbraw/zinc/14/50/75/656145075.db2.gz ZWGGHZFNIHXMQS-OLZOCXBDSA-N 2 2 255.362 -0.347 20 0 CBADLP CC(=O)N[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000311010910 656145077 /nfs/dbraw/zinc/14/50/77/656145077.db2.gz ZWGGHZFNIHXMQS-OLZOCXBDSA-N 2 2 255.362 -0.347 20 0 CBADLP CCS(=O)(=O)CC[N@H+](C)CCOCC[NH2+]C ZINC000706656319 656188203 /nfs/dbraw/zinc/18/82/03/656188203.db2.gz RVIYHYKDDRVFLZ-UHFFFAOYSA-N 2 2 252.380 -0.411 20 0 CBADLP CCS(=O)(=O)CC[N@@H+](C)CCOCC[NH2+]C ZINC000706656319 656188204 /nfs/dbraw/zinc/18/82/04/656188204.db2.gz RVIYHYKDDRVFLZ-UHFFFAOYSA-N 2 2 252.380 -0.411 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C2OCCO2)C1 ZINC000719082735 656235115 /nfs/dbraw/zinc/23/51/15/656235115.db2.gz LOXLARBSQSHWLT-OLZOCXBDSA-N 2 2 288.388 -0.380 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C2OCCO2)C1 ZINC000719082735 656235118 /nfs/dbraw/zinc/23/51/18/656235118.db2.gz LOXLARBSQSHWLT-OLZOCXBDSA-N 2 2 288.388 -0.380 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](C2OCCO2)C1 ZINC000719082735 656235122 /nfs/dbraw/zinc/23/51/22/656235122.db2.gz LOXLARBSQSHWLT-OLZOCXBDSA-N 2 2 288.388 -0.380 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](C2OCCO2)C1 ZINC000719082735 656235125 /nfs/dbraw/zinc/23/51/25/656235125.db2.gz LOXLARBSQSHWLT-OLZOCXBDSA-N 2 2 288.388 -0.380 20 0 CBADLP C[C@@H]1CC(=O)NCC[N@@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000878317115 656250868 /nfs/dbraw/zinc/25/08/68/656250868.db2.gz NFKMDVUJVLHXLP-LLVKDONJSA-N 2 2 282.388 -0.593 20 0 CBADLP C[C@@H]1CC(=O)NCC[N@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000878317115 656250873 /nfs/dbraw/zinc/25/08/73/656250873.db2.gz NFKMDVUJVLHXLP-LLVKDONJSA-N 2 2 282.388 -0.593 20 0 CBADLP CCN(C(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1)[C@H]1CC[NH2+]C1 ZINC000884639475 656253554 /nfs/dbraw/zinc/25/35/54/656253554.db2.gz YVVHGJKDCCIRMX-NEPJUHHUSA-N 2 2 293.371 -0.402 20 0 CBADLP CCN(C(=O)C(=O)NCCCn1cc[nH+]c1)[C@@H]1CC[NH2+]C1 ZINC000884651915 656253705 /nfs/dbraw/zinc/25/37/05/656253705.db2.gz DCSLYVOHSXGIFX-GFCCVEGCSA-N 2 2 293.371 -0.400 20 0 CBADLP C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CN(C)CC[NH+]1C ZINC000896560800 656289971 /nfs/dbraw/zinc/28/99/71/656289971.db2.gz TVRLEDPSCZTCHG-AVGNSLFASA-N 2 2 268.405 -0.311 20 0 CBADLP C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CN(C)CC[NH+]1C ZINC000896560800 656289978 /nfs/dbraw/zinc/28/99/78/656289978.db2.gz TVRLEDPSCZTCHG-AVGNSLFASA-N 2 2 268.405 -0.311 20 0 CBADLP C[C@H](NC(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896560800 656289982 /nfs/dbraw/zinc/28/99/82/656289982.db2.gz TVRLEDPSCZTCHG-AVGNSLFASA-N 2 2 268.405 -0.311 20 0 CBADLP C[C@H](NC(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CN(C)CC[N@H+]1C ZINC000896560800 656289988 /nfs/dbraw/zinc/28/99/88/656289988.db2.gz TVRLEDPSCZTCHG-AVGNSLFASA-N 2 2 268.405 -0.311 20 0 CBADLP C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1cn(C)nn1 ZINC000902791366 656319767 /nfs/dbraw/zinc/31/97/67/656319767.db2.gz VEMVKQPFFZDPCO-LLVKDONJSA-N 2 2 280.376 -0.370 20 0 CBADLP Cn1cc(N2CC[N@H+](C[C@H]3C[C@@H]([NH3+])C3)CC2=O)cn1 ZINC000904322621 656324169 /nfs/dbraw/zinc/32/41/69/656324169.db2.gz FQIWRELEVBVONI-PHIMTYICSA-N 2 2 263.345 -0.194 20 0 CBADLP Cn1cc(N2CC[N@@H+](C[C@H]3C[C@@H]([NH3+])C3)CC2=O)cn1 ZINC000904322621 656324175 /nfs/dbraw/zinc/32/41/75/656324175.db2.gz FQIWRELEVBVONI-PHIMTYICSA-N 2 2 263.345 -0.194 20 0 CBADLP C[C@@H]1C[N@H+](CC23CC(C2)C[NH2+]3)C[C@H]1CS(N)(=O)=O ZINC000904461505 656327384 /nfs/dbraw/zinc/32/73/84/656327384.db2.gz CABXDLLPZBLWHC-ZYGVAYEYSA-N 2 2 273.402 -0.405 20 0 CBADLP C[C@@H]1C[N@@H+](CC23CC(C2)C[NH2+]3)C[C@H]1CS(N)(=O)=O ZINC000904461505 656327388 /nfs/dbraw/zinc/32/73/88/656327388.db2.gz CABXDLLPZBLWHC-ZYGVAYEYSA-N 2 2 273.402 -0.405 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2CCC[C@@]23CC[NH2+]C3)CC1 ZINC000905010467 656333764 /nfs/dbraw/zinc/33/37/64/656333764.db2.gz WCSBAEUQFVBHAW-HNNXBMFYSA-N 2 2 294.399 -0.495 20 0 CBADLP CN1CC[N@H+](C)CC(C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000905046343 656335524 /nfs/dbraw/zinc/33/55/24/656335524.db2.gz NJOUKDDGOASTCG-UHFFFAOYSA-N 2 2 298.431 -0.682 20 0 CBADLP CN1CC[N@@H+](C)CC(C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000905046343 656335528 /nfs/dbraw/zinc/33/55/28/656335528.db2.gz NJOUKDDGOASTCG-UHFFFAOYSA-N 2 2 298.431 -0.682 20 0 CBADLP C[C@H](C[NH3+])CNS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000905342165 656350054 /nfs/dbraw/zinc/35/00/54/656350054.db2.gz HAXQUHWNWVWXRQ-LLVKDONJSA-N 2 2 279.406 -0.777 20 0 CBADLP C[C@H](CC[NH3+])NS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000905343166 656350498 /nfs/dbraw/zinc/35/04/98/656350498.db2.gz MGEVGJSYPKHXMW-LLVKDONJSA-N 2 2 279.406 -0.635 20 0 CBADLP [NH3+][C@H]1C[C@@H](NS(=O)(=O)CCC[NH+]2CCOCC2)C1 ZINC000905343625 656350579 /nfs/dbraw/zinc/35/05/79/656350579.db2.gz KWEVUFUTPTWONU-PHIMTYICSA-N 2 2 277.390 -0.882 20 0 CBADLP CC(C)([NH3+])CCNS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000905362065 656353551 /nfs/dbraw/zinc/35/35/51/656353551.db2.gz LCCNTYMPRQGWQS-UHFFFAOYSA-N 2 2 293.433 -0.245 20 0 CBADLP C[N@H+](C[C@@H](O)C[NH2+]CCO[C@@H]1CCOC1)C1CC1 ZINC000905610330 656363693 /nfs/dbraw/zinc/36/36/93/656363693.db2.gz RTFZYEPVPKTUCF-QWHCGFSZSA-N 2 2 258.362 -0.163 20 0 CBADLP C[N@@H+](C[C@@H](O)C[NH2+]CCO[C@@H]1CCOC1)C1CC1 ZINC000905610330 656363696 /nfs/dbraw/zinc/36/36/96/656363696.db2.gz RTFZYEPVPKTUCF-QWHCGFSZSA-N 2 2 258.362 -0.163 20 0 CBADLP C[N@H+](C[C@H](O)C[NH2+]CCO[C@H]1CCOC1)C1CC1 ZINC000905610329 656363735 /nfs/dbraw/zinc/36/37/35/656363735.db2.gz RTFZYEPVPKTUCF-OLZOCXBDSA-N 2 2 258.362 -0.163 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH2+]CCO[C@H]1CCOC1)C1CC1 ZINC000905610329 656363739 /nfs/dbraw/zinc/36/37/39/656363739.db2.gz RTFZYEPVPKTUCF-OLZOCXBDSA-N 2 2 258.362 -0.163 20 0 CBADLP C[N@@H+]1CC[C@H]1CNC(=S)NCCC[NH+]1CCOCC1 ZINC000905647728 656364334 /nfs/dbraw/zinc/36/43/34/656364334.db2.gz HGULVUKIOCMOST-LBPRGKRZSA-N 2 2 286.445 -0.123 20 0 CBADLP C[N@H+]1CC[C@H]1CNC(=S)NCCC[NH+]1CCOCC1 ZINC000905647728 656364337 /nfs/dbraw/zinc/36/43/37/656364337.db2.gz HGULVUKIOCMOST-LBPRGKRZSA-N 2 2 286.445 -0.123 20 0 CBADLP CN1CC[NH+](C[C@@H](O)CNCC[N@@H+]2CCC(C)(C)C2)CC1 ZINC000905678952 656365614 /nfs/dbraw/zinc/36/56/14/656365614.db2.gz NQIJWTOMMNSMLB-HNNXBMFYSA-N 2 2 298.475 -0.084 20 0 CBADLP CN1CC[NH+](C[C@@H](O)CNCC[N@H+]2CCC(C)(C)C2)CC1 ZINC000905678952 656365616 /nfs/dbraw/zinc/36/56/16/656365616.db2.gz NQIJWTOMMNSMLB-HNNXBMFYSA-N 2 2 298.475 -0.084 20 0 CBADLP CC1(C)CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1[NH2+]CC(N)=O ZINC000996713349 656454518 /nfs/dbraw/zinc/45/45/18/656454518.db2.gz IFYKLYBODHLASS-JTQLQIEISA-N 2 2 279.344 -0.805 20 0 CBADLP NC(=O)C[NH2+]C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000997040292 656464099 /nfs/dbraw/zinc/46/40/99/656464099.db2.gz FPDCBMATIBJXSI-UHFFFAOYSA-N 2 2 265.317 -0.982 20 0 CBADLP CC[C@@H]([NH2+]C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1)C(N)=O ZINC000997129605 656468249 /nfs/dbraw/zinc/46/82/49/656468249.db2.gz ZWDZRYLFSVEQDE-LLVKDONJSA-N 2 2 293.371 -0.203 20 0 CBADLP CC(C)(C(=O)N1CCC([NH2+]CC(N)=O)CC1)c1c[nH+]c[nH]1 ZINC000997183513 656469028 /nfs/dbraw/zinc/46/90/28/656469028.db2.gz PYPJZTMFEBERAO-UHFFFAOYSA-N 2 2 293.371 -0.247 20 0 CBADLP C[C@H](O)C[NH2+]C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000997413348 656476253 /nfs/dbraw/zinc/47/62/53/656476253.db2.gz MXCOMHXLTHPENZ-NSHDSACASA-N 2 2 266.345 -0.156 20 0 CBADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H](C)C1 ZINC000907515311 656518770 /nfs/dbraw/zinc/51/87/70/656518770.db2.gz AUDMVWDPOGFMOQ-GHMZBOCLSA-N 2 2 266.345 -0.134 20 0 CBADLP C[C@@H](O)C[N@H+]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H](C)C1 ZINC000907515311 656518775 /nfs/dbraw/zinc/51/87/75/656518775.db2.gz AUDMVWDPOGFMOQ-GHMZBOCLSA-N 2 2 266.345 -0.134 20 0 CBADLP CC(C)[NH+]1CC(NC(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)C1 ZINC000907519441 656520159 /nfs/dbraw/zinc/52/01/59/656520159.db2.gz JOIMKROAEXIXNJ-YPMHNXCESA-N 2 2 255.362 -0.350 20 0 CBADLP CC(C)[NH+]1CC(NC(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)C1 ZINC000907519441 656520163 /nfs/dbraw/zinc/52/01/63/656520163.db2.gz JOIMKROAEXIXNJ-YPMHNXCESA-N 2 2 255.362 -0.350 20 0 CBADLP C[C@H]1CN(C(=O)C2CN(C)CC[NH+](C)C2)CC[N@@H+]1CCO ZINC000907542302 656523680 /nfs/dbraw/zinc/52/36/80/656523680.db2.gz BPUMRGKBCIGYCB-ZDUSSCGKSA-N 2 2 298.431 -0.995 20 0 CBADLP C[C@H]1CN(C(=O)C2CN(C)CC[NH+](C)C2)CC[N@H+]1CCO ZINC000907542302 656523687 /nfs/dbraw/zinc/52/36/87/656523687.db2.gz BPUMRGKBCIGYCB-ZDUSSCGKSA-N 2 2 298.431 -0.995 20 0 CBADLP C[C@H]1CN(C(=O)C2CN(C)CC[N@H+](C)C2)CC[NH+]1CCO ZINC000907542302 656523702 /nfs/dbraw/zinc/52/37/02/656523702.db2.gz BPUMRGKBCIGYCB-ZDUSSCGKSA-N 2 2 298.431 -0.995 20 0 CBADLP C[C@H]1CN(C(=O)C2CN(C)CC[N@@H+](C)C2)CC[NH+]1CCO ZINC000907542302 656523705 /nfs/dbraw/zinc/52/37/05/656523705.db2.gz BPUMRGKBCIGYCB-ZDUSSCGKSA-N 2 2 298.431 -0.995 20 0 CBADLP C[C@@H]([NH2+][C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1)C(N)=O ZINC000999043919 656604543 /nfs/dbraw/zinc/60/45/43/656604543.db2.gz KXKGBKQAROPTKI-GHMZBOCLSA-N 2 2 293.371 -0.203 20 0 CBADLP C[C@H]([NH2+][C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1)C(N)=O ZINC000999043928 656604723 /nfs/dbraw/zinc/60/47/23/656604723.db2.gz KXKGBKQAROPTKI-WDEREUQCSA-N 2 2 293.371 -0.203 20 0 CBADLP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCC[NH+]1CC=CCC1 ZINC000907887608 656604773 /nfs/dbraw/zinc/60/47/73/656604773.db2.gz PVUQYBVTPMIHPN-GXTWGEPZSA-N 2 2 267.373 -0.180 20 0 CBADLP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCC[NH+]1CC=CCC1 ZINC000907887608 656604775 /nfs/dbraw/zinc/60/47/75/656604775.db2.gz PVUQYBVTPMIHPN-GXTWGEPZSA-N 2 2 267.373 -0.180 20 0 CBADLP C[NH+]1C[C@@H](O)C[C@]1(C)C(=O)NCC[N@H+]1CC=CCC1 ZINC000907887608 656604777 /nfs/dbraw/zinc/60/47/77/656604777.db2.gz PVUQYBVTPMIHPN-GXTWGEPZSA-N 2 2 267.373 -0.180 20 0 CBADLP C[NH+]1C[C@@H](O)C[C@]1(C)C(=O)NCC[N@@H+]1CC=CCC1 ZINC000907887608 656604779 /nfs/dbraw/zinc/60/47/79/656604779.db2.gz PVUQYBVTPMIHPN-GXTWGEPZSA-N 2 2 267.373 -0.180 20 0 CBADLP NC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000999411102 656628760 /nfs/dbraw/zinc/62/87/60/656628760.db2.gz JCOBAODUNOTUIS-HBNTYKKESA-N 2 2 291.355 -0.421 20 0 CBADLP CC[C@H]([NH2+]C1CC(N(C)C(=O)Cc2[nH]cc[nH+]2)C1)C(N)=O ZINC000999611864 656639825 /nfs/dbraw/zinc/63/98/25/656639825.db2.gz VGRBJBXYLAWBPZ-ILDUYXDCSA-N 2 2 293.371 -0.205 20 0 CBADLP Cn1c[nH+]cc1CNC(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000908259464 656687068 /nfs/dbraw/zinc/68/70/68/656687068.db2.gz IPKMPRWEPLIJBQ-ZYHUDNBSSA-N 2 2 252.318 -0.509 20 0 CBADLP Cn1c[nH+]cc1CNC(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC000908259464 656687073 /nfs/dbraw/zinc/68/70/73/656687073.db2.gz IPKMPRWEPLIJBQ-ZYHUDNBSSA-N 2 2 252.318 -0.509 20 0 CBADLP CC[C@@H]([NH2+][C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1)C(N)=O ZINC001000305211 656708096 /nfs/dbraw/zinc/70/80/96/656708096.db2.gz AYEKSEUMQYRLPY-ZYHUDNBSSA-N 2 2 293.371 -0.203 20 0 CBADLP C[C@@H](CC(=O)N1CCC[C@@H]([NH2+]CC(N)=O)C1)n1cc[nH+]c1 ZINC001000332877 656711218 /nfs/dbraw/zinc/71/12/18/656711218.db2.gz AUDZKHZEOWEQSH-NWDGAFQWSA-N 2 2 293.371 -0.100 20 0 CBADLP C[C@@H]1CN(C(=O)[C@]2(C)C[C@H](O)C[NH+]2C)C[C@H](C)[N@H+]1C ZINC000908435064 656726457 /nfs/dbraw/zinc/72/64/57/656726457.db2.gz APGJIWOGVLVRBH-OPDFLTKYSA-N 2 2 269.389 -0.008 20 0 CBADLP C[C@@H]1CN(C(=O)[C@]2(C)C[C@H](O)C[NH+]2C)C[C@H](C)[N@@H+]1C ZINC000908435064 656726467 /nfs/dbraw/zinc/72/64/67/656726467.db2.gz APGJIWOGVLVRBH-OPDFLTKYSA-N 2 2 269.389 -0.008 20 0 CBADLP C[C@@H]1CN(C(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)C[C@H](C)[NH+]1C ZINC000908435064 656726474 /nfs/dbraw/zinc/72/64/74/656726474.db2.gz APGJIWOGVLVRBH-OPDFLTKYSA-N 2 2 269.389 -0.008 20 0 CBADLP C[C@@H]1CN(C(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)C[C@H](C)[NH+]1C ZINC000908435064 656726489 /nfs/dbraw/zinc/72/64/89/656726489.db2.gz APGJIWOGVLVRBH-OPDFLTKYSA-N 2 2 269.389 -0.008 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001000558897 656734713 /nfs/dbraw/zinc/73/47/13/656734713.db2.gz LRNYJIDVCYDLIJ-LBPRGKRZSA-N 2 2 291.355 -0.627 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001000558897 656734720 /nfs/dbraw/zinc/73/47/20/656734720.db2.gz LRNYJIDVCYDLIJ-LBPRGKRZSA-N 2 2 291.355 -0.627 20 0 CBADLP CC[C@H]([NH2+][C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1)C(N)=O ZINC001000565706 656739516 /nfs/dbraw/zinc/73/95/16/656739516.db2.gz RHMQNKVLFCVCCL-QWRGUYRKSA-N 2 2 293.371 -0.203 20 0 CBADLP CN1CC[N@H+](C)CC(C(=O)NOCC[NH+](C)C)C1 ZINC000908528515 656743418 /nfs/dbraw/zinc/74/34/18/656743418.db2.gz ULAZSTHJXQZHPQ-UHFFFAOYSA-N 2 2 258.366 -0.911 20 0 CBADLP CN1CC[N@@H+](C)CC(C(=O)NOCC[NH+](C)C)C1 ZINC000908528515 656743425 /nfs/dbraw/zinc/74/34/25/656743425.db2.gz ULAZSTHJXQZHPQ-UHFFFAOYSA-N 2 2 258.366 -0.911 20 0 CBADLP O=C(N[C@@H]1Cc2c[nH+]cn2C1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000908758917 656759014 /nfs/dbraw/zinc/75/90/14/656759014.db2.gz SUHDYDHARNARBU-NEPJUHHUSA-N 2 2 276.340 -0.355 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]([NH2+]CC(N)=O)C1 ZINC001000793964 656763300 /nfs/dbraw/zinc/76/33/00/656763300.db2.gz FTCAKBYMXRIGGS-SNVBAGLBSA-N 2 2 279.344 -0.673 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]([NH2+]CC(N)=O)C1 ZINC001000793963 656763614 /nfs/dbraw/zinc/76/36/14/656763614.db2.gz FTCAKBYMXRIGGS-JTQLQIEISA-N 2 2 279.344 -0.673 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)N1CCC[C@H]([NH2+]CC(N)=O)C1 ZINC001000819490 656767318 /nfs/dbraw/zinc/76/73/18/656767318.db2.gz SSEMZJCTSNZVDD-NSHDSACASA-N 2 2 293.371 -0.581 20 0 CBADLP Cn1c[nH+]c(CCNC(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)c1 ZINC000909856035 656833084 /nfs/dbraw/zinc/83/30/84/656833084.db2.gz JTESPNAQFVBCON-AAEUAGOBSA-N 2 2 266.345 -0.466 20 0 CBADLP Cn1c[nH+]c(CCNC(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)c1 ZINC000909856035 656833087 /nfs/dbraw/zinc/83/30/87/656833087.db2.gz JTESPNAQFVBCON-AAEUAGOBSA-N 2 2 266.345 -0.466 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CCC(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001004254989 656883203 /nfs/dbraw/zinc/88/32/03/656883203.db2.gz YZMPAHVLOBOTCR-SNVBAGLBSA-N 2 2 279.344 -0.663 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC1CC[NH+](CCCO)CC1 ZINC001004253546 656883385 /nfs/dbraw/zinc/88/33/85/656883385.db2.gz QXNYDUZQDLWRFL-UHFFFAOYSA-N 2 2 266.345 -0.154 20 0 CBADLP CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000910933430 656904095 /nfs/dbraw/zinc/90/40/95/656904095.db2.gz JHWZJWGVVKLVBE-UHFFFAOYSA-N 2 2 298.431 -0.193 20 0 CBADLP [NH3+]C[C@@]12CC[C@@H]1CCN2C(=O)C(=O)NCCn1cc[nH+]c1 ZINC000910986929 656923594 /nfs/dbraw/zinc/92/35/94/656923594.db2.gz LZGIHDXDUBGQCS-RISCZKNCSA-N 2 2 291.355 -0.661 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911228483 656991080 /nfs/dbraw/zinc/99/10/80/656991080.db2.gz GINPORRFJUTRHV-WRWGMCAJSA-N 2 2 291.355 -0.603 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000911230727 656991419 /nfs/dbraw/zinc/99/14/19/656991419.db2.gz UWHUXMCBHSGOHT-NWDGAFQWSA-N 2 2 293.371 -0.415 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000911228548 656991770 /nfs/dbraw/zinc/99/17/70/656991770.db2.gz HEGGBURSAJBPIR-QWRGUYRKSA-N 2 2 293.371 -0.498 20 0 CBADLP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000911246585 656995892 /nfs/dbraw/zinc/99/58/92/656995892.db2.gz ITBBXCYQGHQMRN-GHMZBOCLSA-N 2 2 279.344 -0.887 20 0 CBADLP C[NH2+]CCN(C(=O)C(=O)NCCCn1cc[nH+]c1)C(C)C ZINC000911247224 656998111 /nfs/dbraw/zinc/99/81/11/656998111.db2.gz NWIWQCMCNLEVER-UHFFFAOYSA-N 2 2 295.387 -0.154 20 0 CBADLP C[C@H]1C[C@@H](C(=O)N[C@H]2CCC[NH+](CC(N)=O)C2)CC[N@@H+]1C ZINC001008301533 657037888 /nfs/dbraw/zinc/03/78/88/657037888.db2.gz ZDWGTHCSSWSFJM-AVGNSLFASA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@H]1C[C@@H](C(=O)N[C@H]2CCC[NH+](CC(N)=O)C2)CC[N@H+]1C ZINC001008301533 657037892 /nfs/dbraw/zinc/03/78/92/657037892.db2.gz ZDWGTHCSSWSFJM-AVGNSLFASA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@H]1C[C@@H](C(=O)N[C@H]2CCC[N@H+](CC(N)=O)C2)CC[NH+]1C ZINC001008301533 657037896 /nfs/dbraw/zinc/03/78/96/657037896.db2.gz ZDWGTHCSSWSFJM-AVGNSLFASA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@H]1C[C@@H](C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)C2)CC[NH+]1C ZINC001008301533 657037899 /nfs/dbraw/zinc/03/78/99/657037899.db2.gz ZDWGTHCSSWSFJM-AVGNSLFASA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001008398341 657043432 /nfs/dbraw/zinc/04/34/32/657043432.db2.gz ICVAJVFZQHOSGB-YPMHNXCESA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001008398341 657043433 /nfs/dbraw/zinc/04/34/33/657043433.db2.gz ICVAJVFZQHOSGB-YPMHNXCESA-N 2 2 296.415 -0.217 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC1 ZINC000911549560 657075615 /nfs/dbraw/zinc/07/56/15/657075615.db2.gz ISTAWRBVGRQWQM-GRYCIOLGSA-N 2 2 280.372 -0.840 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001009518641 657076948 /nfs/dbraw/zinc/07/69/48/657076948.db2.gz RCMNVTCOZCSODM-STQMWFEESA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)[C@H](C)[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001009518641 657076955 /nfs/dbraw/zinc/07/69/55/657076955.db2.gz RCMNVTCOZCSODM-STQMWFEESA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001009518640 657077559 /nfs/dbraw/zinc/07/75/59/657077559.db2.gz RCMNVTCOZCSODM-QWHCGFSZSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)[C@H](C)[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001009518640 657077567 /nfs/dbraw/zinc/07/75/67/657077567.db2.gz RCMNVTCOZCSODM-QWHCGFSZSA-N 2 2 296.415 -0.203 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)CC1 ZINC000911559350 657077676 /nfs/dbraw/zinc/07/76/76/657077676.db2.gz DAQZVMSFWGGLKY-XYPYZODXSA-N 2 2 268.361 -0.996 20 0 CBADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCCN1CC[NH2+]CC1 ZINC000911627863 657087651 /nfs/dbraw/zinc/08/76/51/657087651.db2.gz CWPMHCALCODHJK-CHWSQXEVSA-N 2 2 291.399 -0.065 20 0 CBADLP C[C@H](O)C[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001009714012 657093052 /nfs/dbraw/zinc/09/30/52/657093052.db2.gz CGYBYOWPWQJJSZ-RYUDHWBXSA-N 2 2 266.345 -0.156 20 0 CBADLP C[C@H](O)C[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001009714012 657093057 /nfs/dbraw/zinc/09/30/57/657093057.db2.gz CGYBYOWPWQJJSZ-RYUDHWBXSA-N 2 2 266.345 -0.156 20 0 CBADLP C[NH2+]CCCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000911676882 657101281 /nfs/dbraw/zinc/10/12/81/657101281.db2.gz NMRLLTXRUZTPTG-OLZOCXBDSA-N 2 2 285.388 -0.408 20 0 CBADLP O=C(NCCN1CC[NH2+]CC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000911696919 657107343 /nfs/dbraw/zinc/10/73/43/657107343.db2.gz XOCFPNNHTOLTOS-GFCCVEGCSA-N 2 2 277.372 -0.533 20 0 CBADLP O=C(NCCN1CC[NH2+]CC1)[C@H]1CCc2c[nH+]cn2C1 ZINC000911696920 657108598 /nfs/dbraw/zinc/10/85/98/657108598.db2.gz XOCFPNNHTOLTOS-LBPRGKRZSA-N 2 2 277.372 -0.533 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC[NH2+]1 ZINC000911812733 657137995 /nfs/dbraw/zinc/13/79/95/657137995.db2.gz VHFUXAOEHOAQDB-MCIONIFRSA-N 2 2 297.399 -0.314 20 0 CBADLP [NH3+]C[C@@H](NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)C1CC1 ZINC000911836491 657145462 /nfs/dbraw/zinc/14/54/62/657145462.db2.gz ZEZCXJMUXDLWFF-MCIONIFRSA-N 2 2 297.399 -0.280 20 0 CBADLP C[C@H]([NH3+])[C@H]1CN(C(=O)C[C@@H]([NH3+])C(F)F)CCO1 ZINC000911885618 657158190 /nfs/dbraw/zinc/15/81/90/657158190.db2.gz YNSMDPZWRHVIAN-XLPZGREQSA-N 2 2 251.277 -0.457 20 0 CBADLP C[NH+]1CCC(N(CCO)C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000911938155 657170907 /nfs/dbraw/zinc/17/09/07/657170907.db2.gz DPJQTQAKDZNWRG-ZDUSSCGKSA-N 2 2 285.388 -0.768 20 0 CBADLP C[NH+]1CCC(N(CCO)C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000911938155 657170917 /nfs/dbraw/zinc/17/09/17/657170917.db2.gz DPJQTQAKDZNWRG-ZDUSSCGKSA-N 2 2 285.388 -0.768 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@]2(C)C[NH+]3CCC2CC3)C1 ZINC000912379286 657243006 /nfs/dbraw/zinc/24/30/06/657243006.db2.gz NGMFJPSZXQKUAZ-OCCSQVGLSA-N 2 2 267.373 -0.083 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@]2(C)C[NH+]3CCC2CC3)C1 ZINC000912379286 657243016 /nfs/dbraw/zinc/24/30/16/657243016.db2.gz NGMFJPSZXQKUAZ-OCCSQVGLSA-N 2 2 267.373 -0.083 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H](O)C(C)(C)O ZINC000912386104 657246971 /nfs/dbraw/zinc/24/69/71/657246971.db2.gz AJVFALYBQDEZTM-NSHDSACASA-N 2 2 275.393 -0.882 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H](O)C(C)(C)O ZINC000912386104 657246981 /nfs/dbraw/zinc/24/69/81/657246981.db2.gz AJVFALYBQDEZTM-NSHDSACASA-N 2 2 275.393 -0.882 20 0 CBADLP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)Cc1c[nH+]c[nH]1 ZINC000912463620 657267524 /nfs/dbraw/zinc/26/75/24/657267524.db2.gz RSJFGJJBAWGQHH-UHFFFAOYSA-N 2 2 281.360 -0.569 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CC[N@H+](C)CCO ZINC000912599316 657290397 /nfs/dbraw/zinc/29/03/97/657290397.db2.gz NLCCKNUCOGXBPE-LLVKDONJSA-N 2 2 268.361 -0.029 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CC[N@@H+](C)CCO ZINC000912599316 657290402 /nfs/dbraw/zinc/29/04/02/657290402.db2.gz NLCCKNUCOGXBPE-LLVKDONJSA-N 2 2 268.361 -0.029 20 0 CBADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CC[N@H+](C)CCO ZINC000912599316 657290407 /nfs/dbraw/zinc/29/04/07/657290407.db2.gz NLCCKNUCOGXBPE-LLVKDONJSA-N 2 2 268.361 -0.029 20 0 CBADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CC[N@@H+](C)CCO ZINC000912599316 657290414 /nfs/dbraw/zinc/29/04/14/657290414.db2.gz NLCCKNUCOGXBPE-LLVKDONJSA-N 2 2 268.361 -0.029 20 0 CBADLP C[NH+](C)CCn1cc(C(=O)N2CC[N@H+](C)C[C@H]2CO)cn1 ZINC000912736535 657319502 /nfs/dbraw/zinc/31/95/02/657319502.db2.gz WYHAIOVEEUJNGU-ZDUSSCGKSA-N 2 2 295.387 -0.807 20 0 CBADLP C[NH+](C)CCn1cc(C(=O)N2CC[N@@H+](C)C[C@H]2CO)cn1 ZINC000912736535 657319512 /nfs/dbraw/zinc/31/95/12/657319512.db2.gz WYHAIOVEEUJNGU-ZDUSSCGKSA-N 2 2 295.387 -0.807 20 0 CBADLP Cc1[nH+]cc2n1C[C@H](C(=O)N1CC[N@@H+](C)C[C@@H]1CO)CC2 ZINC000912738814 657327763 /nfs/dbraw/zinc/32/77/63/657327763.db2.gz JVAJDQGXYZGQIV-TZMCWYRMSA-N 2 2 292.383 -0.111 20 0 CBADLP Cc1[nH+]cc2n1C[C@H](C(=O)N1CC[N@H+](C)C[C@@H]1CO)CC2 ZINC000912738814 657327769 /nfs/dbraw/zinc/32/77/69/657327769.db2.gz JVAJDQGXYZGQIV-TZMCWYRMSA-N 2 2 292.383 -0.111 20 0 CBADLP C[NH+](C)Cc1ccc(C(=O)N2CC[N@H+](C)C[C@@H]2CO)cn1 ZINC000912739321 657331040 /nfs/dbraw/zinc/33/10/40/657331040.db2.gz WNGLIOCYWCZYNT-CQSZACIVSA-N 2 2 292.383 -0.108 20 0 CBADLP C[NH+](C)Cc1ccc(C(=O)N2CC[N@@H+](C)C[C@@H]2CO)cn1 ZINC000912739321 657331042 /nfs/dbraw/zinc/33/10/42/657331042.db2.gz WNGLIOCYWCZYNT-CQSZACIVSA-N 2 2 292.383 -0.108 20 0 CBADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000912743109 657334046 /nfs/dbraw/zinc/33/40/46/657334046.db2.gz PGQPACAADKKHTB-UPJWGTAASA-N 2 2 269.389 -0.006 20 0 CBADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000912743109 657334050 /nfs/dbraw/zinc/33/40/50/657334050.db2.gz PGQPACAADKKHTB-UPJWGTAASA-N 2 2 269.389 -0.006 20 0 CBADLP CC[NH+]1CCN(CCC(=O)N2CC[N@H+](C)C[C@@H]2CO)CC1 ZINC000912742958 657334671 /nfs/dbraw/zinc/33/46/71/657334671.db2.gz MIGKULHERCJSFP-CQSZACIVSA-N 2 2 298.431 -0.851 20 0 CBADLP CC[NH+]1CCN(CCC(=O)N2CC[N@@H+](C)C[C@@H]2CO)CC1 ZINC000912742958 657334674 /nfs/dbraw/zinc/33/46/74/657334674.db2.gz MIGKULHERCJSFP-CQSZACIVSA-N 2 2 298.431 -0.851 20 0 CBADLP CC[N@H+](CC(=O)N1CC[NH+](C)C[C@@H]1CO)C1CC1 ZINC000912741463 657335020 /nfs/dbraw/zinc/33/50/20/657335020.db2.gz VIYKWGZUZGEEIH-GFCCVEGCSA-N 2 2 255.362 -0.394 20 0 CBADLP CC[N@@H+](CC(=O)N1CC[NH+](C)C[C@@H]1CO)C1CC1 ZINC000912741463 657335024 /nfs/dbraw/zinc/33/50/24/657335024.db2.gz VIYKWGZUZGEEIH-GFCCVEGCSA-N 2 2 255.362 -0.394 20 0 CBADLP CC[NH+](CC(=O)N1CC[N@H+](C)C[C@@H]1CO)C1CC1 ZINC000912741463 657335029 /nfs/dbraw/zinc/33/50/29/657335029.db2.gz VIYKWGZUZGEEIH-GFCCVEGCSA-N 2 2 255.362 -0.394 20 0 CBADLP CC[NH+](CC(=O)N1CC[N@@H+](C)C[C@@H]1CO)C1CC1 ZINC000912741463 657335032 /nfs/dbraw/zinc/33/50/32/657335032.db2.gz VIYKWGZUZGEEIH-GFCCVEGCSA-N 2 2 255.362 -0.394 20 0 CBADLP CC[NH+]1CCN(CCC(=O)N2CC[N@H+](C)C[C@H]2CO)CC1 ZINC000912742957 657335096 /nfs/dbraw/zinc/33/50/96/657335096.db2.gz MIGKULHERCJSFP-AWEZNQCLSA-N 2 2 298.431 -0.851 20 0 CBADLP CC[NH+]1CCN(CCC(=O)N2CC[N@@H+](C)C[C@H]2CO)CC1 ZINC000912742957 657335104 /nfs/dbraw/zinc/33/51/04/657335104.db2.gz MIGKULHERCJSFP-AWEZNQCLSA-N 2 2 298.431 -0.851 20 0 CBADLP O=C(N[C@@H]1CC[N@@H+](CCO)C1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001014989323 657394608 /nfs/dbraw/zinc/39/46/08/657394608.db2.gz GVWHENMCBJELLS-VXGBXAGGSA-N 2 2 278.356 -0.372 20 0 CBADLP O=C(N[C@@H]1CC[N@H+](CCO)C1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001014989323 657394613 /nfs/dbraw/zinc/39/46/13/657394613.db2.gz GVWHENMCBJELLS-VXGBXAGGSA-N 2 2 278.356 -0.372 20 0 CBADLP O=C(N[C@@H]1CC[N@@H+](CCO)C1)[C@H]1CCc2c[nH+]cn2C1 ZINC001015012359 657398375 /nfs/dbraw/zinc/39/83/75/657398375.db2.gz CXLYTRPSHDNEDQ-NWDGAFQWSA-N 2 2 278.356 -0.372 20 0 CBADLP O=C(N[C@@H]1CC[N@H+](CCO)C1)[C@H]1CCc2c[nH+]cn2C1 ZINC001015012359 657398377 /nfs/dbraw/zinc/39/83/77/657398377.db2.gz CXLYTRPSHDNEDQ-NWDGAFQWSA-N 2 2 278.356 -0.372 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001015291484 657427946 /nfs/dbraw/zinc/42/79/46/657427946.db2.gz VHMPXGWIQBMDGI-MNOVXSKESA-N 2 2 279.344 -0.744 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001015291484 657427956 /nfs/dbraw/zinc/42/79/56/657427956.db2.gz VHMPXGWIQBMDGI-MNOVXSKESA-N 2 2 279.344 -0.744 20 0 CBADLP C[NH+](C)CCn1cc(C(=O)N2CC[N@H+](C)[C@H](CO)C2)cn1 ZINC000913540907 657502000 /nfs/dbraw/zinc/50/20/00/657502000.db2.gz APHHENITZHFYHX-ZDUSSCGKSA-N 2 2 295.387 -0.807 20 0 CBADLP C[NH+](C)CCn1cc(C(=O)N2CC[N@@H+](C)[C@H](CO)C2)cn1 ZINC000913540907 657502006 /nfs/dbraw/zinc/50/20/06/657502006.db2.gz APHHENITZHFYHX-ZDUSSCGKSA-N 2 2 295.387 -0.807 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000913542169 657506880 /nfs/dbraw/zinc/50/68/80/657506880.db2.gz DQMIBXJWOJQDEN-LLVKDONJSA-N 2 2 252.318 -0.674 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000913542169 657506885 /nfs/dbraw/zinc/50/68/85/657506885.db2.gz DQMIBXJWOJQDEN-LLVKDONJSA-N 2 2 252.318 -0.674 20 0 CBADLP C[N@@H+]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@H]1CO ZINC000913545899 657522179 /nfs/dbraw/zinc/52/21/79/657522179.db2.gz CWTIKLRIJGNDIF-KBPBESRZSA-N 2 2 281.400 -0.004 20 0 CBADLP C[N@H+]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@H]1CO ZINC000913545899 657522187 /nfs/dbraw/zinc/52/21/87/657522187.db2.gz CWTIKLRIJGNDIF-KBPBESRZSA-N 2 2 281.400 -0.004 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000913547727 657528516 /nfs/dbraw/zinc/52/85/16/657528516.db2.gz UZUKLYGHAGEXFW-OLZOCXBDSA-N 2 2 285.388 -0.910 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000913547727 657528518 /nfs/dbraw/zinc/52/85/18/657528518.db2.gz UZUKLYGHAGEXFW-OLZOCXBDSA-N 2 2 285.388 -0.910 20 0 CBADLP C[NH+]1CCC(CC(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)CC1 ZINC001015793615 657551958 /nfs/dbraw/zinc/55/19/58/657551958.db2.gz BAJKEALFTQMTEU-LBPRGKRZSA-N 2 2 282.388 -0.606 20 0 CBADLP C[NH+]1CCC(CC(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)CC1 ZINC001015793615 657551965 /nfs/dbraw/zinc/55/19/65/657551965.db2.gz BAJKEALFTQMTEU-LBPRGKRZSA-N 2 2 282.388 -0.606 20 0 CBADLP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NC12CC[NH+](CC1)C2 ZINC000913636377 657572764 /nfs/dbraw/zinc/57/27/64/657572764.db2.gz DIDWVVBQGITZCP-ZYHUDNBSSA-N 2 2 253.346 -0.594 20 0 CBADLP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NC12CC[NH+](CC1)C2 ZINC000913636377 657572777 /nfs/dbraw/zinc/57/27/77/657572777.db2.gz DIDWVVBQGITZCP-ZYHUDNBSSA-N 2 2 253.346 -0.594 20 0 CBADLP C[N@@H+]1CC[C@H]1CNC(=O)NCCC[NH+]1CCOCC1 ZINC000913836309 657621952 /nfs/dbraw/zinc/62/19/52/657621952.db2.gz OIDWWBIOGFTBOY-LBPRGKRZSA-N 2 2 270.377 -0.288 20 0 CBADLP C[N@H+]1CC[C@H]1CNC(=O)NCCC[NH+]1CCOCC1 ZINC000913836309 657621957 /nfs/dbraw/zinc/62/19/57/657621957.db2.gz OIDWWBIOGFTBOY-LBPRGKRZSA-N 2 2 270.377 -0.288 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001016000926 657626511 /nfs/dbraw/zinc/62/65/11/657626511.db2.gz GOKOSPCGWIILSC-CMPLNLGQSA-N 2 2 293.371 -0.583 20 0 CBADLP CC[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001016000926 657626520 /nfs/dbraw/zinc/62/65/20/657626520.db2.gz GOKOSPCGWIILSC-CMPLNLGQSA-N 2 2 293.371 -0.583 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001016002383 657626852 /nfs/dbraw/zinc/62/68/52/657626852.db2.gz QVUSNGYOULKVRH-LLVKDONJSA-N 2 2 280.372 -0.981 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001016002383 657626862 /nfs/dbraw/zinc/62/68/62/657626862.db2.gz QVUSNGYOULKVRH-LLVKDONJSA-N 2 2 280.372 -0.981 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@@H+](C[C@@H](C)O)C1 ZINC001016106142 657636445 /nfs/dbraw/zinc/63/64/45/657636445.db2.gz JMCMBEXCHDRJTD-KOLCDFICSA-N 2 2 266.345 -0.168 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@H+](C[C@@H](C)O)C1 ZINC001016106142 657636451 /nfs/dbraw/zinc/63/64/51/657636451.db2.gz JMCMBEXCHDRJTD-KOLCDFICSA-N 2 2 266.345 -0.168 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@H+](CCCO)C1 ZINC001016115851 657640247 /nfs/dbraw/zinc/64/02/47/657640247.db2.gz ZZDJWPOQKRNICA-LLVKDONJSA-N 2 2 266.345 -0.166 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@@H+](CCCO)C1 ZINC001016115851 657640295 /nfs/dbraw/zinc/64/02/95/657640295.db2.gz ZZDJWPOQKRNICA-LLVKDONJSA-N 2 2 266.345 -0.166 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@@H+](C[C@H](C)O)C1 ZINC001016106144 657642131 /nfs/dbraw/zinc/64/21/31/657642131.db2.gz JMCMBEXCHDRJTD-ONGXEEELSA-N 2 2 266.345 -0.168 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@H+](C[C@H](C)O)C1 ZINC001016106144 657642146 /nfs/dbraw/zinc/64/21/46/657642146.db2.gz JMCMBEXCHDRJTD-ONGXEEELSA-N 2 2 266.345 -0.168 20 0 CBADLP C[C@H](CNC(=O)NC[C@H]1CC[N@@H+]1C)[NH+]1CCOCC1 ZINC000914067529 657653533 /nfs/dbraw/zinc/65/35/33/657653533.db2.gz VEUIOXUVTCIMKW-VXGBXAGGSA-N 2 2 270.377 -0.290 20 0 CBADLP C[C@H](CNC(=O)NC[C@H]1CC[N@H+]1C)[NH+]1CCOCC1 ZINC000914067529 657653536 /nfs/dbraw/zinc/65/35/36/657653536.db2.gz VEUIOXUVTCIMKW-VXGBXAGGSA-N 2 2 270.377 -0.290 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@H]1CC[N@@H+]1C ZINC000914083024 657655094 /nfs/dbraw/zinc/65/50/94/657655094.db2.gz NDLPOZXYJGUMRL-NWDGAFQWSA-N 2 2 270.377 -0.290 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@H]1CC[N@H+]1C ZINC000914083024 657655104 /nfs/dbraw/zinc/65/51/04/657655104.db2.gz NDLPOZXYJGUMRL-NWDGAFQWSA-N 2 2 270.377 -0.290 20 0 CBADLP O=C(C[NH+]1CCCC1)N[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001016250446 657668639 /nfs/dbraw/zinc/66/86/39/657668639.db2.gz CARYZVNMMKXCLZ-NWDGAFQWSA-N 2 2 280.372 -0.839 20 0 CBADLP O=C(C[NH+]1CCCC1)N[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001016250446 657668645 /nfs/dbraw/zinc/66/86/45/657668645.db2.gz CARYZVNMMKXCLZ-NWDGAFQWSA-N 2 2 280.372 -0.839 20 0 CBADLP O=C(C[NH+]1CCCC1)N[C@H]1CC[N@H+](CCn2cncn2)C1 ZINC001016252814 657671940 /nfs/dbraw/zinc/67/19/40/657671940.db2.gz VCBMDTXDDAXLQU-ZDUSSCGKSA-N 2 2 292.387 -0.436 20 0 CBADLP O=C(C[NH+]1CCCC1)N[C@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001016252814 657671952 /nfs/dbraw/zinc/67/19/52/657671952.db2.gz VCBMDTXDDAXLQU-ZDUSSCGKSA-N 2 2 292.387 -0.436 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001016258985 657673724 /nfs/dbraw/zinc/67/37/24/657673724.db2.gz BMIWITOLZSHDQC-NSHDSACASA-N 2 2 279.344 -0.872 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001016258985 657673734 /nfs/dbraw/zinc/67/37/34/657673734.db2.gz BMIWITOLZSHDQC-NSHDSACASA-N 2 2 279.344 -0.872 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001016260701 657675673 /nfs/dbraw/zinc/67/56/73/657675673.db2.gz RAAZFVINXAODTP-RYUDHWBXSA-N 2 2 293.371 -0.354 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001016260701 657675679 /nfs/dbraw/zinc/67/56/79/657675679.db2.gz RAAZFVINXAODTP-RYUDHWBXSA-N 2 2 293.371 -0.354 20 0 CBADLP C[C@@H](O)C[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001016398494 657701549 /nfs/dbraw/zinc/70/15/49/657701549.db2.gz SRIMUBMZYYWLFR-GHMZBOCLSA-N 2 2 252.318 -0.546 20 0 CBADLP C[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001016398494 657701562 /nfs/dbraw/zinc/70/15/62/657701562.db2.gz SRIMUBMZYYWLFR-GHMZBOCLSA-N 2 2 252.318 -0.546 20 0 CBADLP NC(=O)C[NH+]1CCC2(C[C@@H]2NC(=O)Cn2cc[nH+]c2)CC1 ZINC001016995172 657742258 /nfs/dbraw/zinc/74/22/58/657742258.db2.gz RBBCLPDOPXTKCT-NSHDSACASA-N 2 2 291.355 -0.661 20 0 CBADLP C[N@@H+]1CC[C@H]1CNC(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000916881989 657790254 /nfs/dbraw/zinc/79/02/54/657790254.db2.gz AKXRLDGEYWNENJ-QWRGUYRKSA-N 2 2 256.350 -0.680 20 0 CBADLP C[N@H+]1CC[C@H]1CNC(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000916881989 657790261 /nfs/dbraw/zinc/79/02/61/657790261.db2.gz AKXRLDGEYWNENJ-QWRGUYRKSA-N 2 2 256.350 -0.680 20 0 CBADLP C[NH+]1CC[C@H]1CNC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000916881989 657790263 /nfs/dbraw/zinc/79/02/63/657790263.db2.gz AKXRLDGEYWNENJ-QWRGUYRKSA-N 2 2 256.350 -0.680 20 0 CBADLP C[NH+]1CC[C@H]1CNC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000916881989 657790264 /nfs/dbraw/zinc/79/02/64/657790264.db2.gz AKXRLDGEYWNENJ-QWRGUYRKSA-N 2 2 256.350 -0.680 20 0 CBADLP C[C@@H](CNC(=O)NC[C@H]1CC[N@@H+]1C)C[NH+]1CCOCC1 ZINC000919731842 657858570 /nfs/dbraw/zinc/85/85/70/657858570.db2.gz BEWRHBVUKVVDQC-QWHCGFSZSA-N 2 2 284.404 -0.042 20 0 CBADLP C[C@@H](CNC(=O)NC[C@H]1CC[N@H+]1C)C[NH+]1CCOCC1 ZINC000919731842 657858573 /nfs/dbraw/zinc/85/85/73/657858573.db2.gz BEWRHBVUKVVDQC-QWHCGFSZSA-N 2 2 284.404 -0.042 20 0 CBADLP COc1cc[nH+]cc1CC(=O)N1CC[C@H]([NH2+]CCO)C1 ZINC001019031689 657858732 /nfs/dbraw/zinc/85/87/32/657858732.db2.gz SMUPHAGBDNBAGJ-LBPRGKRZSA-N 2 2 279.340 -0.185 20 0 CBADLP C[C@H](CNC(=O)NC[C@@H]1CC[N@@H+]1C)CN1CC[NH+](C)CC1 ZINC000920453111 657876003 /nfs/dbraw/zinc/87/60/03/657876003.db2.gz XRFGZMUGOHJROK-KGLIPLIRSA-N 2 2 297.447 -0.127 20 0 CBADLP C[C@H](CNC(=O)NC[C@@H]1CC[N@H+]1C)CN1CC[NH+](C)CC1 ZINC000920453111 657876006 /nfs/dbraw/zinc/87/60/06/657876006.db2.gz XRFGZMUGOHJROK-KGLIPLIRSA-N 2 2 297.447 -0.127 20 0 CBADLP CN1CC[C@H]([NH2+][C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1=O ZINC001019565997 657912107 /nfs/dbraw/zinc/91/21/07/657912107.db2.gz MXQSUXMKHQNJBT-QWRGUYRKSA-N 2 2 291.355 -0.627 20 0 CBADLP C[C@@H](O)C[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001019566093 657912261 /nfs/dbraw/zinc/91/22/61/657912261.db2.gz QXXYCMCSWCNMJY-ZJUUUORDSA-N 2 2 252.318 -0.477 20 0 CBADLP C[C@@H]([NH2+][C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1)C(N)=O ZINC001019656777 657927796 /nfs/dbraw/zinc/92/77/96/657927796.db2.gz YAGRTPPXORPDFX-ZJUUUORDSA-N 2 2 293.371 -0.248 20 0 CBADLP C[C@@H](O)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001019654181 657927909 /nfs/dbraw/zinc/92/79/09/657927909.db2.gz XPJLDDUNMZNDAV-MNOVXSKESA-N 2 2 266.345 -0.466 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]([NH2+]CCn2cncn2)C1 ZINC001019867869 657952678 /nfs/dbraw/zinc/95/26/78/657952678.db2.gz ODOHQADRMMVENA-LBPRGKRZSA-N 2 2 289.343 -0.635 20 0 CBADLP CC[C@H]([NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1)C(N)=O ZINC001019867620 657953370 /nfs/dbraw/zinc/95/33/70/657953370.db2.gz BECUOOLBADXILV-QWRGUYRKSA-N 2 2 279.344 -0.663 20 0 CBADLP NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001020308567 658036702 /nfs/dbraw/zinc/03/67/02/658036702.db2.gz INHZCYGQIVZZCI-GMTAPVOTSA-N 2 2 291.355 -0.832 20 0 CBADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCO)C1 ZINC001020604099 658080508 /nfs/dbraw/zinc/08/05/08/658080508.db2.gz XLBZEINLLSDPJC-DDHJBXDOSA-N 2 2 278.356 -0.247 20 0 CBADLP C[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001020637371 658080967 /nfs/dbraw/zinc/08/09/67/658080967.db2.gz UIAAPSVSUSNVAY-GUBZILKMSA-N 2 2 252.318 -0.430 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1C[C@H]([NH2+]CCn2cncn2)C1 ZINC001020636600 658081608 /nfs/dbraw/zinc/08/16/08/658081608.db2.gz AGAAKSMGZASXNK-XYPYZODXSA-N 2 2 289.343 -0.519 20 0 CBADLP Cn1c[nH+]c(CCNC(=O)NC[C@H]2CC[N@@H+]2C)c1 ZINC000922820923 658086437 /nfs/dbraw/zinc/08/64/37/658086437.db2.gz IIPUHKKQPLMIQE-LLVKDONJSA-N 2 2 251.334 -0.034 20 0 CBADLP Cn1c[nH+]c(CCNC(=O)NC[C@H]2CC[N@H+]2C)c1 ZINC000922820923 658086450 /nfs/dbraw/zinc/08/64/50/658086450.db2.gz IIPUHKKQPLMIQE-LLVKDONJSA-N 2 2 251.334 -0.034 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001020817513 658093859 /nfs/dbraw/zinc/09/38/59/658093859.db2.gz WWWLIJVGXVLXJQ-GUBZILKMSA-N 2 2 277.328 -0.923 20 0 CBADLP C[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001020929558 658118818 /nfs/dbraw/zinc/11/88/18/658118818.db2.gz BFBJGZZELXLZDP-GMTAPVOTSA-N 2 2 266.345 -0.420 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@H]([NH2+]Cc2cnon2)C1 ZINC001021126847 658154384 /nfs/dbraw/zinc/15/43/84/658154384.db2.gz YZNJKCFQLHSUBL-MGCOHNPYSA-N 2 2 276.300 -0.297 20 0 CBADLP CCOCCOCC[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000923333275 658213765 /nfs/dbraw/zinc/21/37/65/658213765.db2.gz PZEJUTBDNPISRA-CQSZACIVSA-N 2 2 299.415 -0.064 20 0 CBADLP CCOCCOCC[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000923333275 658213777 /nfs/dbraw/zinc/21/37/77/658213777.db2.gz PZEJUTBDNPISRA-CQSZACIVSA-N 2 2 299.415 -0.064 20 0 CBADLP CN1CC(=O)N(CC[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)C1=O ZINC000923359746 658230714 /nfs/dbraw/zinc/23/07/14/658230714.db2.gz UHLXOJARWPWJHD-WDEREUQCSA-N 2 2 266.345 -0.436 20 0 CBADLP CN1CC(=O)N(CC[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)C1=O ZINC000923359746 658230732 /nfs/dbraw/zinc/23/07/32/658230732.db2.gz UHLXOJARWPWJHD-WDEREUQCSA-N 2 2 266.345 -0.436 20 0 CBADLP C[NH+](C)CCC[C@@H]1C[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CCO1 ZINC000923396481 658252733 /nfs/dbraw/zinc/25/27/33/658252733.db2.gz COLQOBHJWRTAJQ-CRWXNKLISA-N 3 2 271.405 -0.120 20 0 CBADLP C[NH+](C)CCC[C@@H]1C[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CCO1 ZINC000923396481 658252743 /nfs/dbraw/zinc/25/27/43/658252743.db2.gz COLQOBHJWRTAJQ-CRWXNKLISA-N 3 2 271.405 -0.120 20 0 CBADLP [NH3+]CC12CC(C1)C[N@@H+]2C[C@H](O)COC[C@H]1CCCO1 ZINC000923391191 658255849 /nfs/dbraw/zinc/25/58/49/658255849.db2.gz MLXJREYPYZOXOB-YIFLHPOLSA-N 2 2 270.373 -0.034 20 0 CBADLP [NH3+]CC12CC(C1)C[N@H+]2C[C@H](O)COC[C@H]1CCCO1 ZINC000923391191 658255878 /nfs/dbraw/zinc/25/58/78/658255878.db2.gz MLXJREYPYZOXOB-YIFLHPOLSA-N 2 2 270.373 -0.034 20 0 CBADLP CO[C@@H]1C[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)[C@](C)(C[NH3+])C1 ZINC000923410701 658265959 /nfs/dbraw/zinc/26/59/59/658265959.db2.gz IHQGWXOUWXFVAB-XQQFMLRXSA-N 3 2 269.389 -0.197 20 0 CBADLP CO[C@@H]1C[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)[C@](C)(C[NH3+])C1 ZINC000923410701 658265990 /nfs/dbraw/zinc/26/59/90/658265990.db2.gz IHQGWXOUWXFVAB-XQQFMLRXSA-N 3 2 269.389 -0.197 20 0 CBADLP CO[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)[C@@](C)(C[NH3+])C1 ZINC000923412626 658269463 /nfs/dbraw/zinc/26/94/63/658269463.db2.gz RUKGNYDRAHJCMC-RWMBFGLXSA-N 2 2 268.361 -0.318 20 0 CBADLP CO[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)[C@@](C)(C[NH3+])C1 ZINC000923412626 658269508 /nfs/dbraw/zinc/26/95/08/658269508.db2.gz RUKGNYDRAHJCMC-RWMBFGLXSA-N 2 2 268.361 -0.318 20 0 CBADLP C[C@@H](NC(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1)C(=O)N(C)C ZINC000923513884 658309691 /nfs/dbraw/zinc/30/96/91/658309691.db2.gz BWKUVFZMCFMXSF-GMTAPVOTSA-N 2 2 270.377 -0.894 20 0 CBADLP C[C@@H](NC(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1)C(=O)N(C)C ZINC000923513884 658309700 /nfs/dbraw/zinc/30/97/00/658309700.db2.gz BWKUVFZMCFMXSF-GMTAPVOTSA-N 2 2 270.377 -0.894 20 0 CBADLP C[C@@H]1CN(C(=O)C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)CCO1 ZINC000923518442 658313545 /nfs/dbraw/zinc/31/35/45/658313545.db2.gz GPQOMHXKQQXOIH-FRRDWIJNSA-N 2 2 267.373 -0.225 20 0 CBADLP C[C@@H]1CN(C(=O)C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)CCO1 ZINC000923518442 658313560 /nfs/dbraw/zinc/31/35/60/658313560.db2.gz GPQOMHXKQQXOIH-FRRDWIJNSA-N 2 2 267.373 -0.225 20 0 CBADLP COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923519120 658313849 /nfs/dbraw/zinc/31/38/49/658313849.db2.gz BFYFIVMIUVCELK-SDDRHHMPSA-N 2 2 298.387 -0.612 20 0 CBADLP COC[C@H](C)NC(=O)NC(=O)C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923519120 658313866 /nfs/dbraw/zinc/31/38/66/658313866.db2.gz BFYFIVMIUVCELK-SDDRHHMPSA-N 2 2 298.387 -0.612 20 0 CBADLP Cc1[nH+]c2n(c1C)CCN(S(=O)(=O)C1C[NH2+]C1)C2 ZINC000923613338 658351816 /nfs/dbraw/zinc/35/18/16/658351816.db2.gz QTTPGOGJJPKUNR-UHFFFAOYSA-N 2 2 270.358 -0.383 20 0 CBADLP CC1(C)CNC(=O)[C@H]1[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000924758228 658636075 /nfs/dbraw/zinc/63/60/75/658636075.db2.gz YYPVMOVUSFOQDQ-GFCCVEGCSA-N 2 2 269.389 -0.053 20 0 CBADLP C[C@H]([C@H]1C[N@H+](C)CCO1)N1C(=O)N[C@H](C[NH+](C)C)C1=O ZINC000924805313 658638578 /nfs/dbraw/zinc/63/85/78/658638578.db2.gz JTVUWXDGSXPMGI-GMTAPVOTSA-N 2 2 284.360 -0.813 20 0 CBADLP C[C@H]([C@H]1C[N@@H+](C)CCO1)N1C(=O)N[C@H](C[NH+](C)C)C1=O ZINC000924805313 658638586 /nfs/dbraw/zinc/63/85/86/658638586.db2.gz JTVUWXDGSXPMGI-GMTAPVOTSA-N 2 2 284.360 -0.813 20 0 CBADLP COC1(OC)CC[C@@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000924838387 658640769 /nfs/dbraw/zinc/64/07/69/658640769.db2.gz DHXQJGFJRZMHRH-NSHDSACASA-N 2 2 271.361 -0.499 20 0 CBADLP C/C(=C/C(=O)NC[C@@H]1C[C@@H](O)C[N@H+]1C)C[NH+]1CCOCC1 ZINC000924976489 658677549 /nfs/dbraw/zinc/67/75/49/658677549.db2.gz MBPROGUUDQVOKR-LPEQCFEDSA-N 2 2 297.399 -0.554 20 0 CBADLP C/C(=C/C(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1C)C[NH+]1CCOCC1 ZINC000924976489 658677553 /nfs/dbraw/zinc/67/75/53/658677553.db2.gz MBPROGUUDQVOKR-LPEQCFEDSA-N 2 2 297.399 -0.554 20 0 CBADLP O=C(N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21)[C@@H]1CCc2[nH+]ccn2C1 ZINC000960645043 658805688 /nfs/dbraw/zinc/80/56/88/658805688.db2.gz NYBDBPKIQJTGHC-NMKXLXIOSA-N 2 2 290.367 -0.516 20 0 CBADLP O=C(N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21)[C@@H]1CCc2[nH+]ccn2C1 ZINC000960645043 658805694 /nfs/dbraw/zinc/80/56/94/658805694.db2.gz NYBDBPKIQJTGHC-NMKXLXIOSA-N 2 2 290.367 -0.516 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)C(N)=O)C[C@H]21 ZINC000961140180 658816431 /nfs/dbraw/zinc/81/64/31/658816431.db2.gz CQQAHHIKOATCCO-MEWQQHAOSA-N 2 2 291.355 -0.888 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)C(N)=O)C[C@H]21 ZINC000961140180 658816433 /nfs/dbraw/zinc/81/64/33/658816433.db2.gz CQQAHHIKOATCCO-MEWQQHAOSA-N 2 2 291.355 -0.888 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)C(N)=O)C[C@H]21 ZINC000961140172 658816567 /nfs/dbraw/zinc/81/65/67/658816567.db2.gz CQQAHHIKOATCCO-DCQANWLSSA-N 2 2 291.355 -0.888 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)C(N)=O)C[C@H]21 ZINC000961140172 658816572 /nfs/dbraw/zinc/81/65/72/658816572.db2.gz CQQAHHIKOATCCO-DCQANWLSSA-N 2 2 291.355 -0.888 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC1CC(C[NH2+][C@@H]2CCNC2=O)C1 ZINC000962362595 658852116 /nfs/dbraw/zinc/85/21/16/658852116.db2.gz OGPLXCOJGYOWQW-RTYFJBAXSA-N 2 2 291.355 -0.675 20 0 CBADLP C[N@@H+]1CC[C@H]1CNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000925434255 658854241 /nfs/dbraw/zinc/85/42/41/658854241.db2.gz IRPMDODFRFNTRA-STQMWFEESA-N 2 2 282.388 -0.193 20 0 CBADLP C[N@H+]1CC[C@H]1CNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000925434255 658854244 /nfs/dbraw/zinc/85/42/44/658854244.db2.gz IRPMDODFRFNTRA-STQMWFEESA-N 2 2 282.388 -0.193 20 0 CBADLP C[C@@H]1COC[C@H]1[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000925448806 658855312 /nfs/dbraw/zinc/85/53/12/658855312.db2.gz INPLCBOGJSMCIK-HZSPNIEDSA-N 2 2 297.399 -0.456 20 0 CBADLP C[NH+]1CCN(C(=O)CC[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CC1 ZINC000925488447 658856952 /nfs/dbraw/zinc/85/69/52/658856952.db2.gz CVAUUTOAAVZYHY-UNPMEBSKSA-N 3 2 292.427 -0.264 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)C(N)=O)C[C@H]21 ZINC000962579465 658857698 /nfs/dbraw/zinc/85/76/98/658857698.db2.gz RSNCTGWKYVRVIG-GOONRYMUSA-N 2 2 291.355 -0.888 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)C(N)=O)C[C@H]21 ZINC000962579465 658857705 /nfs/dbraw/zinc/85/77/05/658857705.db2.gz RSNCTGWKYVRVIG-GOONRYMUSA-N 2 2 291.355 -0.888 20 0 CBADLP CC(C)[C@H](CN[C@@H]1C[NH2+]CCOC1)[NH+]1CCOCC1 ZINC000925518043 658858481 /nfs/dbraw/zinc/85/84/81/658858481.db2.gz NQTYZBYFTBJENF-KGLIPLIRSA-N 2 2 271.405 -0.079 20 0 CBADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCOCCS(C)(=O)=O ZINC000925575591 658859112 /nfs/dbraw/zinc/85/91/12/658859112.db2.gz RVVVGMQTOIQWEI-JTQLQIEISA-N 2 2 264.391 -0.222 20 0 CBADLP COC(=O)N1CCC([NH2+][C@@H]2C[NH2+]CCOC2)CC1 ZINC000925569146 658859728 /nfs/dbraw/zinc/85/97/28/658859728.db2.gz RAUUJLVNBXSQMK-LLVKDONJSA-N 2 2 257.334 -0.205 20 0 CBADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCOCCS(C)(=O)=O ZINC000925572296 658859861 /nfs/dbraw/zinc/85/98/61/658859861.db2.gz LSJCQPAFIWEZAY-QWRGUYRKSA-N 2 2 264.391 -0.222 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@@H]1[C@H]2C[N@@H+](CCF)C[C@H]21 ZINC000963016537 658862062 /nfs/dbraw/zinc/86/20/62/658862062.db2.gz INVJWORGJCFLAW-IAZYJMLFSA-N 2 2 252.293 -0.101 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@@H]1[C@H]2C[N@H+](CCF)C[C@H]21 ZINC000963016537 658862064 /nfs/dbraw/zinc/86/20/64/658862064.db2.gz INVJWORGJCFLAW-IAZYJMLFSA-N 2 2 252.293 -0.101 20 0 CBADLP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925609849 658862441 /nfs/dbraw/zinc/86/24/41/658862441.db2.gz WMRBJNVJLOLOQY-UONOGXRCSA-N 3 2 271.405 -0.199 20 0 CBADLP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925609849 658862443 /nfs/dbraw/zinc/86/24/43/658862443.db2.gz WMRBJNVJLOLOQY-UONOGXRCSA-N 3 2 271.405 -0.199 20 0 CBADLP CC(C)[C@@H](CN[C@@H]1C[NH2+]CCOC1)N1CC[NH+](C)CC1 ZINC000925605485 658862715 /nfs/dbraw/zinc/86/27/15/658862715.db2.gz GPSMMIDFLMCSJN-HUUCEWRRSA-N 2 2 284.448 -0.164 20 0 CBADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCNC(=O)c1ccn[nH]1 ZINC000925631631 658863969 /nfs/dbraw/zinc/86/39/69/658863969.db2.gz IYALJHKXTPHROD-VHSXEESVSA-N 2 2 251.334 -0.130 20 0 CBADLP NC(=O)C[C@@H]1C[N@@H+]([C@@H]2C[C@@H]([NH3+])C23CCC3)CCO1 ZINC000925717872 658867223 /nfs/dbraw/zinc/86/72/23/658867223.db2.gz IMBGFCPDAIOZDV-GMTAPVOTSA-N 2 2 253.346 -0.168 20 0 CBADLP NC(=O)C[C@@H]1C[N@H+]([C@@H]2C[C@@H]([NH3+])C23CCC3)CCO1 ZINC000925717872 658867225 /nfs/dbraw/zinc/86/72/25/658867225.db2.gz IMBGFCPDAIOZDV-GMTAPVOTSA-N 2 2 253.346 -0.168 20 0 CBADLP COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925724717 658867778 /nfs/dbraw/zinc/86/77/78/658867778.db2.gz CSCUBJXHFZAQNX-CCKSWGLSSA-N 2 2 295.383 -0.361 20 0 CBADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@]12COC(=O)N1CCOC2 ZINC000925731680 658868608 /nfs/dbraw/zinc/86/86/08/658868608.db2.gz CMPVOIYMZWBBPY-GWCFXTLKSA-N 2 2 269.345 -0.062 20 0 CBADLP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@]12COC(=O)N1CCOC2 ZINC000925731682 658869173 /nfs/dbraw/zinc/86/91/73/658869173.db2.gz CMPVOIYMZWBBPY-MFKMUULPSA-N 2 2 269.345 -0.062 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC1CC2(C1)CC([NH2+]CCO)C2 ZINC000965847681 658882558 /nfs/dbraw/zinc/88/25/58/658882558.db2.gz JMDUHLLWZMJOFD-UHFFFAOYSA-N 2 2 292.383 -0.028 20 0 CBADLP C[N@@H+]1CC[C@](O)(C[NH2+]C2[C@@H]3CC[C@H]2C[NH+](C)C3)C1 ZINC000926174927 658888566 /nfs/dbraw/zinc/88/85/66/658888566.db2.gz TVYNIXXFIHOXCQ-PIGZVRMJSA-N 3 2 253.390 -0.017 20 0 CBADLP C[N@H+]1CC[C@](O)(C[NH2+]C2[C@@H]3CC[C@H]2C[NH+](C)C3)C1 ZINC000926174927 658888567 /nfs/dbraw/zinc/88/85/67/658888567.db2.gz TVYNIXXFIHOXCQ-PIGZVRMJSA-N 3 2 253.390 -0.017 20 0 CBADLP C[NH+]1CC[C@](O)(C[NH2+]C2[C@@H]3CC[C@H]2C[N@@H+](C)C3)C1 ZINC000926174927 658888572 /nfs/dbraw/zinc/88/85/72/658888572.db2.gz TVYNIXXFIHOXCQ-PIGZVRMJSA-N 3 2 253.390 -0.017 20 0 CBADLP C[NH+]1CC[C@](O)(C[NH2+]C2[C@@H]3CC[C@H]2C[N@H+](C)C3)C1 ZINC000926174927 658888573 /nfs/dbraw/zinc/88/85/73/658888573.db2.gz TVYNIXXFIHOXCQ-PIGZVRMJSA-N 3 2 253.390 -0.017 20 0 CBADLP C[NH+]1CCN(C(=O)C(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)CC1 ZINC000926445288 658902553 /nfs/dbraw/zinc/90/25/53/658902553.db2.gz XBMOBOWNXCDMRB-OAHLLOKOSA-N 2 2 294.399 -0.495 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@H]1C[N@@H+](CC(N)=O)CC[C@@H]1C ZINC000967401852 658911602 /nfs/dbraw/zinc/91/16/02/658911602.db2.gz IEXVWPXGZFWSNT-JQWIXIFHSA-N 2 2 293.371 -0.497 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@H]1C[N@H+](CC(N)=O)CC[C@@H]1C ZINC000967401852 658911606 /nfs/dbraw/zinc/91/16/06/658911606.db2.gz IEXVWPXGZFWSNT-JQWIXIFHSA-N 2 2 293.371 -0.497 20 0 CBADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CC[C@@H]([NH2+]CCO)C1 ZINC000969135282 658949992 /nfs/dbraw/zinc/94/99/92/658949992.db2.gz GDVZEUCPZQHRHK-VXGBXAGGSA-N 2 2 278.356 -0.372 20 0 CBADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1CC[C@@H]([NH2+]CCO)C1 ZINC000969135281 658950675 /nfs/dbraw/zinc/95/06/75/658950675.db2.gz GDVZEUCPZQHRHK-NWDGAFQWSA-N 2 2 278.356 -0.372 20 0 CBADLP C[N@@H+]1CC[C@H]1CNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000928556195 659037646 /nfs/dbraw/zinc/03/76/46/659037646.db2.gz OUNAZMTYGQYTCQ-DLGQBQFBSA-N 2 2 253.346 -0.305 20 0 CBADLP C[N@H+]1CC[C@H]1CNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000928556195 659037656 /nfs/dbraw/zinc/03/76/56/659037656.db2.gz OUNAZMTYGQYTCQ-DLGQBQFBSA-N 2 2 253.346 -0.305 20 0 CBADLP C[C@@H](C(=O)NC[C@H]1CC[N@@H+]1C)N1CC[NH+](C)CC1 ZINC000928564288 659044978 /nfs/dbraw/zinc/04/49/78/659044978.db2.gz UPJYOOXATQRGFX-NWDGAFQWSA-N 2 2 254.378 -0.557 20 0 CBADLP C[C@@H](C(=O)NC[C@H]1CC[N@H+]1C)N1CC[NH+](C)CC1 ZINC000928564288 659044985 /nfs/dbraw/zinc/04/49/85/659044985.db2.gz UPJYOOXATQRGFX-NWDGAFQWSA-N 2 2 254.378 -0.557 20 0 CBADLP C[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1C)N1CC[NH+](C)CC1 ZINC000928564289 659046667 /nfs/dbraw/zinc/04/66/67/659046667.db2.gz UPJYOOXATQRGFX-RYUDHWBXSA-N 2 2 254.378 -0.557 20 0 CBADLP C[C@@H](C(=O)NC[C@@H]1CC[N@H+]1C)N1CC[NH+](C)CC1 ZINC000928564289 659046676 /nfs/dbraw/zinc/04/66/76/659046676.db2.gz UPJYOOXATQRGFX-RYUDHWBXSA-N 2 2 254.378 -0.557 20 0 CBADLP C[C@H](C(N)=O)[N@H+](C)[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000971433848 659091569 /nfs/dbraw/zinc/09/15/69/659091569.db2.gz UOTHNDGITPYCEH-MNOVXSKESA-N 2 2 293.371 -0.251 20 0 CBADLP C[C@H](C(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000971433848 659091571 /nfs/dbraw/zinc/09/15/71/659091571.db2.gz UOTHNDGITPYCEH-MNOVXSKESA-N 2 2 293.371 -0.251 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H]([N@@H+](C)[C@@H](C)C(N)=O)C1 ZINC000971949769 659100993 /nfs/dbraw/zinc/10/09/93/659100993.db2.gz MYWFMQMCKZPKNB-RYUDHWBXSA-N 2 2 293.371 -0.402 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H]([N@H+](C)[C@@H](C)C(N)=O)C1 ZINC000971949769 659101004 /nfs/dbraw/zinc/10/10/04/659101004.db2.gz MYWFMQMCKZPKNB-RYUDHWBXSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@H](O)C[N@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000972433585 659119062 /nfs/dbraw/zinc/11/90/62/659119062.db2.gz PPBUSWMTLBGYPR-JQWIXIFHSA-N 2 2 266.345 -0.134 20 0 CBADLP C[C@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000972433585 659119068 /nfs/dbraw/zinc/11/90/68/659119068.db2.gz PPBUSWMTLBGYPR-JQWIXIFHSA-N 2 2 266.345 -0.134 20 0 CBADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CC(N)=O)CC2(C)C)CC[N@@H+]1C ZINC000974605714 659171610 /nfs/dbraw/zinc/17/16/10/659171610.db2.gz NEKCLPQQLDERDG-IJLUTSLNSA-N 2 2 296.415 -0.362 20 0 CBADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CC(N)=O)CC2(C)C)CC[N@H+]1C ZINC000974605714 659171614 /nfs/dbraw/zinc/17/16/14/659171614.db2.gz NEKCLPQQLDERDG-IJLUTSLNSA-N 2 2 296.415 -0.362 20 0 CBADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](CC(N)=O)CC2(C)C)CC[NH+]1C ZINC000974605714 659171615 /nfs/dbraw/zinc/17/16/15/659171615.db2.gz NEKCLPQQLDERDG-IJLUTSLNSA-N 2 2 296.415 -0.362 20 0 CBADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](CC(N)=O)CC2(C)C)CC[NH+]1C ZINC000974605714 659171618 /nfs/dbraw/zinc/17/16/18/659171618.db2.gz NEKCLPQQLDERDG-IJLUTSLNSA-N 2 2 296.415 -0.362 20 0 CBADLP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[NH+](CC(N)=O)CC1(C)C ZINC000975053154 659177327 /nfs/dbraw/zinc/17/73/27/659177327.db2.gz SSUWNPKJIJHPCQ-VXGBXAGGSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[NH+](CC(N)=O)CC1(C)C ZINC000975053154 659177331 /nfs/dbraw/zinc/17/73/31/659177331.db2.gz SSUWNPKJIJHPCQ-VXGBXAGGSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@H+](CC(N)=O)CC1(C)C ZINC000975053154 659177333 /nfs/dbraw/zinc/17/73/33/659177333.db2.gz SSUWNPKJIJHPCQ-VXGBXAGGSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@@H+](CC(N)=O)CC1(C)C ZINC000975053154 659177337 /nfs/dbraw/zinc/17/73/37/659177337.db2.gz SSUWNPKJIJHPCQ-VXGBXAGGSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](CC(N)=O)CC2(C)C)C1 ZINC000975060997 659177350 /nfs/dbraw/zinc/17/73/50/659177350.db2.gz KAFOVCVQFUNWSA-VXGBXAGGSA-N 2 2 296.415 -0.360 20 0 CBADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CC(N)=O)CC2(C)C)C1 ZINC000975060997 659177351 /nfs/dbraw/zinc/17/73/51/659177351.db2.gz KAFOVCVQFUNWSA-VXGBXAGGSA-N 2 2 296.415 -0.360 20 0 CBADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CC(N)=O)CC2(C)C)C1 ZINC000975060997 659177355 /nfs/dbraw/zinc/17/73/55/659177355.db2.gz KAFOVCVQFUNWSA-VXGBXAGGSA-N 2 2 296.415 -0.360 20 0 CBADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CC(N)=O)CC2(C)C)C1 ZINC000975060997 659177358 /nfs/dbraw/zinc/17/73/58/659177358.db2.gz KAFOVCVQFUNWSA-VXGBXAGGSA-N 2 2 296.415 -0.360 20 0 CBADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000930034971 659197334 /nfs/dbraw/zinc/19/73/34/659197334.db2.gz HQCKXRWNWPAEQE-CYBMUJFWSA-N 2 2 269.389 -0.004 20 0 CBADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000930034971 659197340 /nfs/dbraw/zinc/19/73/40/659197340.db2.gz HQCKXRWNWPAEQE-CYBMUJFWSA-N 2 2 269.389 -0.004 20 0 CBADLP OC[C@H](O)C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000930319588 659255964 /nfs/dbraw/zinc/25/59/64/659255964.db2.gz NDRXKRAODRZBBP-CHWSQXEVSA-N 2 2 258.362 -0.474 20 0 CBADLP OC[C@H](O)C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000930319588 659255983 /nfs/dbraw/zinc/25/59/83/659255983.db2.gz NDRXKRAODRZBBP-CHWSQXEVSA-N 2 2 258.362 -0.474 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]([N@@H+](C)[C@@H](C)C(N)=O)C1 ZINC000980265565 659262787 /nfs/dbraw/zinc/26/27/87/659262787.db2.gz VIQJFUCTQQQMHM-QWRGUYRKSA-N 2 2 293.371 -0.333 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]([N@H+](C)[C@@H](C)C(N)=O)C1 ZINC000980265565 659262805 /nfs/dbraw/zinc/26/28/05/659262805.db2.gz VIQJFUCTQQQMHM-QWRGUYRKSA-N 2 2 293.371 -0.333 20 0 CBADLP C[C@H](O)C[N@H+]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000980893889 659299437 /nfs/dbraw/zinc/29/94/37/659299437.db2.gz QNEAFWXMAVGKTM-STQMWFEESA-N 2 2 285.388 -0.768 20 0 CBADLP C[C@H](O)C[NH+]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000980893889 659299442 /nfs/dbraw/zinc/29/94/42/659299442.db2.gz QNEAFWXMAVGKTM-STQMWFEESA-N 2 2 285.388 -0.768 20 0 CBADLP C[C@H](O)C[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000980893889 659299448 /nfs/dbraw/zinc/29/94/48/659299448.db2.gz QNEAFWXMAVGKTM-STQMWFEESA-N 2 2 285.388 -0.768 20 0 CBADLP CC(C)C[NH2+]C1(CO)CC[NH+](C[C@@H](O)CO)CC1 ZINC000930628709 659312936 /nfs/dbraw/zinc/31/29/36/659312936.db2.gz ZDNZEZRJVNJCTH-GFCCVEGCSA-N 2 2 260.378 -0.588 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCC[C@@H]([NH2+]CC(N)=O)C1 ZINC000981488273 659318664 /nfs/dbraw/zinc/31/86/64/659318664.db2.gz WKSMSKFHCFUZDU-GHMZBOCLSA-N 2 2 293.371 -0.237 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCC[C@@H]([NH2+]CC(N)=O)C1 ZINC000981488274 659318794 /nfs/dbraw/zinc/31/87/94/659318794.db2.gz WKSMSKFHCFUZDU-MNOVXSKESA-N 2 2 293.371 -0.237 20 0 CBADLP OC[C@@H](O)C[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000930676420 659321393 /nfs/dbraw/zinc/32/13/93/659321393.db2.gz XAIXMGKPTSSRHU-LBPRGKRZSA-N 2 2 258.362 -0.834 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@H]1CCC[C@H]([NH2+]CCO)C1 ZINC000981550506 659321912 /nfs/dbraw/zinc/32/19/12/659321912.db2.gz NQAWXHJBNMDJFS-RYUDHWBXSA-N 2 2 266.345 -0.108 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CCC[C@@H]([NH2+]CCO)C1 ZINC000981550507 659323143 /nfs/dbraw/zinc/32/31/43/659323143.db2.gz NQAWXHJBNMDJFS-VXGBXAGGSA-N 2 2 266.345 -0.108 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CCCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC000981957140 659337186 /nfs/dbraw/zinc/33/71/86/659337186.db2.gz DTLPELRWGDFHCZ-QWHCGFSZSA-N 2 2 296.415 -0.264 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CCCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC000981957140 659337191 /nfs/dbraw/zinc/33/71/91/659337191.db2.gz DTLPELRWGDFHCZ-QWHCGFSZSA-N 2 2 296.415 -0.264 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC000981957140 659337198 /nfs/dbraw/zinc/33/71/98/659337198.db2.gz DTLPELRWGDFHCZ-QWHCGFSZSA-N 2 2 296.415 -0.264 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC000981957140 659337201 /nfs/dbraw/zinc/33/72/01/659337201.db2.gz DTLPELRWGDFHCZ-QWHCGFSZSA-N 2 2 296.415 -0.264 20 0 CBADLP C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000930840249 659351114 /nfs/dbraw/zinc/35/11/14/659351114.db2.gz SNRMYXYJHVXCLY-YNEHKIRRSA-N 2 2 296.415 -0.252 20 0 CBADLP C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000930840249 659351122 /nfs/dbraw/zinc/35/11/22/659351122.db2.gz SNRMYXYJHVXCLY-YNEHKIRRSA-N 2 2 296.415 -0.252 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CCC([N@H+](C)CCO)CC1 ZINC000985750120 659396355 /nfs/dbraw/zinc/39/63/55/659396355.db2.gz CMCAUGUMPMJHFV-UHFFFAOYSA-N 2 2 280.372 -0.122 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CCC([N@@H+](C)CCO)CC1 ZINC000985750120 659396362 /nfs/dbraw/zinc/39/63/62/659396362.db2.gz CMCAUGUMPMJHFV-UHFFFAOYSA-N 2 2 280.372 -0.122 20 0 CBADLP C[N@H+](CC(N)=O)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000985816750 659399281 /nfs/dbraw/zinc/39/92/81/659399281.db2.gz PQKSZIKPGHTLBI-UHFFFAOYSA-N 2 2 279.344 -0.709 20 0 CBADLP C[N@@H+](CC(N)=O)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000985816750 659399289 /nfs/dbraw/zinc/39/92/89/659399289.db2.gz PQKSZIKPGHTLBI-UHFFFAOYSA-N 2 2 279.344 -0.709 20 0 CBADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@H](O)CC3(O)CCOCC3)C[C@H]21 ZINC000931276340 659423242 /nfs/dbraw/zinc/42/32/42/659423242.db2.gz FGYISUFHPYFLMI-MQYQWHSLSA-N 2 2 284.400 -0.229 20 0 CBADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[C@H](O)CC3(O)CCOCC3)C[C@H]21 ZINC000931276340 659423247 /nfs/dbraw/zinc/42/32/47/659423247.db2.gz FGYISUFHPYFLMI-MQYQWHSLSA-N 2 2 284.400 -0.229 20 0 CBADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@@H]3CCN(S(C)(=O)=O)C3)C[C@H]21 ZINC000931280395 659424012 /nfs/dbraw/zinc/42/40/12/659424012.db2.gz FKSWMDBFTJQUIE-WUHRBBMRSA-N 2 2 287.429 -0.240 20 0 CBADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[C@@H]3CCN(S(C)(=O)=O)C3)C[C@H]21 ZINC000931280395 659424024 /nfs/dbraw/zinc/42/40/24/659424024.db2.gz FKSWMDBFTJQUIE-WUHRBBMRSA-N 2 2 287.429 -0.240 20 0 CBADLP C[C@H]1[C@H]([NH2+]CCO)CCN1C(=O)CCn1cc[nH+]c1 ZINC000986626318 659463652 /nfs/dbraw/zinc/46/36/52/659463652.db2.gz AZEGTFNRGARBNI-NWDGAFQWSA-N 2 2 266.345 -0.156 20 0 CBADLP C[C@H]1[C@@H]([NH2+]CCO)CCN1C(=O)CCn1cc[nH+]c1 ZINC000986626319 659465447 /nfs/dbraw/zinc/46/54/47/659465447.db2.gz AZEGTFNRGARBNI-RYUDHWBXSA-N 2 2 266.345 -0.156 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(OC)(OC)[C@H](O)C1 ZINC000931632958 659497623 /nfs/dbraw/zinc/49/76/23/659497623.db2.gz DQLYUMPDMYZYRJ-VXGBXAGGSA-N 2 2 276.377 -0.645 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(OC)(OC)[C@H](O)C1 ZINC000931632958 659497631 /nfs/dbraw/zinc/49/76/31/659497631.db2.gz DQLYUMPDMYZYRJ-VXGBXAGGSA-N 2 2 276.377 -0.645 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC(OC)(OC)[C@H](O)C1 ZINC000931632958 659497639 /nfs/dbraw/zinc/49/76/39/659497639.db2.gz DQLYUMPDMYZYRJ-VXGBXAGGSA-N 2 2 276.377 -0.645 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC(OC)(OC)[C@H](O)C1 ZINC000931632958 659497646 /nfs/dbraw/zinc/49/76/46/659497646.db2.gz DQLYUMPDMYZYRJ-VXGBXAGGSA-N 2 2 276.377 -0.645 20 0 CBADLP CC(C)C[NH+]1CCN(C(=O)C(=O)NC[C@H]2CC[N@@H+]2C)CC1 ZINC000931870888 659530904 /nfs/dbraw/zinc/53/09/04/659530904.db2.gz SVYJWJXIHPOXGS-CYBMUJFWSA-N 2 2 296.415 -0.393 20 0 CBADLP CC(C)C[NH+]1CCN(C(=O)C(=O)NC[C@H]2CC[N@H+]2C)CC1 ZINC000931870888 659530909 /nfs/dbraw/zinc/53/09/09/659530909.db2.gz SVYJWJXIHPOXGS-CYBMUJFWSA-N 2 2 296.415 -0.393 20 0 CBADLP C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000931875174 659533169 /nfs/dbraw/zinc/53/31/69/659533169.db2.gz BXNXZSWPFSUWEP-CYBMUJFWSA-N 2 2 294.399 -0.497 20 0 CBADLP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000931875174 659533190 /nfs/dbraw/zinc/53/31/90/659533190.db2.gz BXNXZSWPFSUWEP-CYBMUJFWSA-N 2 2 294.399 -0.497 20 0 CBADLP C[N@@H+]1CC[C@H]1CNC(=O)C(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000931873376 659536800 /nfs/dbraw/zinc/53/68/00/659536800.db2.gz LUTRJURQPABPJN-MNOVXSKESA-N 2 2 268.361 -0.983 20 0 CBADLP C[N@H+]1CC[C@H]1CNC(=O)C(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000931873376 659536808 /nfs/dbraw/zinc/53/68/08/659536808.db2.gz LUTRJURQPABPJN-MNOVXSKESA-N 2 2 268.361 -0.983 20 0 CBADLP C[NH+]1CC[C@H]1CNC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000931873376 659536818 /nfs/dbraw/zinc/53/68/18/659536818.db2.gz LUTRJURQPABPJN-MNOVXSKESA-N 2 2 268.361 -0.983 20 0 CBADLP C[NH+]1CC[C@H]1CNC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000931873376 659536829 /nfs/dbraw/zinc/53/68/29/659536829.db2.gz LUTRJURQPABPJN-MNOVXSKESA-N 2 2 268.361 -0.983 20 0 CBADLP C[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000931875628 659538610 /nfs/dbraw/zinc/53/86/10/659538610.db2.gz BXNXZSWPFSUWEP-ZDUSSCGKSA-N 2 2 294.399 -0.497 20 0 CBADLP C[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000931875628 659538614 /nfs/dbraw/zinc/53/86/14/659538614.db2.gz BXNXZSWPFSUWEP-ZDUSSCGKSA-N 2 2 294.399 -0.497 20 0 CBADLP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)NC[C@H]1CC[NH+]1C ZINC000931880029 659542101 /nfs/dbraw/zinc/54/21/01/659542101.db2.gz ZVUPHMIICWGZQY-CHWSQXEVSA-N 2 2 296.415 -0.395 20 0 CBADLP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC[C@H]1CC[NH+]1C ZINC000931880029 659542109 /nfs/dbraw/zinc/54/21/09/659542109.db2.gz ZVUPHMIICWGZQY-CHWSQXEVSA-N 2 2 296.415 -0.395 20 0 CBADLP CC(C)[C@H]1C[NH+](C)CCN1C(=O)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000931880029 659542118 /nfs/dbraw/zinc/54/21/18/659542118.db2.gz ZVUPHMIICWGZQY-CHWSQXEVSA-N 2 2 296.415 -0.395 20 0 CBADLP CC(C)[C@H]1C[NH+](C)CCN1C(=O)C(=O)NC[C@H]1CC[N@H+]1C ZINC000931880029 659542123 /nfs/dbraw/zinc/54/21/23/659542123.db2.gz ZVUPHMIICWGZQY-CHWSQXEVSA-N 2 2 296.415 -0.395 20 0 CBADLP C[C@H]1C[C@@H]([NH2+]CCO)CN1C(=O)CCc1[nH]cc[nH+]1 ZINC000988741913 659554355 /nfs/dbraw/zinc/55/43/55/659554355.db2.gz FUHHUKPCJQUONV-WDEREUQCSA-N 2 2 266.345 -0.086 20 0 CBADLP CNC(=O)C[N@@H+]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC000989475508 659590012 /nfs/dbraw/zinc/59/00/12/659590012.db2.gz ZAXCGVCPCAVXMM-ZDUSSCGKSA-N 2 2 296.415 -0.392 20 0 CBADLP CNC(=O)C[N@H+]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC000989475508 659590018 /nfs/dbraw/zinc/59/00/18/659590018.db2.gz ZAXCGVCPCAVXMM-ZDUSSCGKSA-N 2 2 296.415 -0.392 20 0 CBADLP CNC(=O)C[NH+]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000989475508 659590025 /nfs/dbraw/zinc/59/00/25/659590025.db2.gz ZAXCGVCPCAVXMM-ZDUSSCGKSA-N 2 2 296.415 -0.392 20 0 CBADLP CNC(=O)C[NH+]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000989475508 659590028 /nfs/dbraw/zinc/59/00/28/659590028.db2.gz ZAXCGVCPCAVXMM-ZDUSSCGKSA-N 2 2 296.415 -0.392 20 0 CBADLP C[C@H]1C[C@H]([NH2+]CCO)CN1C(=O)Cc1c[nH+]cn1C ZINC000989680205 659607995 /nfs/dbraw/zinc/60/79/95/659607995.db2.gz RLAIUZIJORHHLD-QWRGUYRKSA-N 2 2 266.345 -0.466 20 0 CBADLP C[C@@H]1C[C@H]([NH2+]CCO)CN1C(=O)Cc1c[nH+]cn1C ZINC000989680203 659608462 /nfs/dbraw/zinc/60/84/62/659608462.db2.gz RLAIUZIJORHHLD-MNOVXSKESA-N 2 2 266.345 -0.466 20 0 CBADLP C[C@H]1C[C@H]([NH2+]CC(N)=O)CN1C(=O)Cc1c[nH+]cn1C ZINC000989678071 659608495 /nfs/dbraw/zinc/60/84/95/659608495.db2.gz CLFJTGKNZNNHJV-UWVGGRQHSA-N 2 2 279.344 -0.973 20 0 CBADLP C[C@H]1C[C@H]([NH2+]CC(N)=O)CN1C(=O)CCc1c[nH+]cn1C ZINC000989736414 659611661 /nfs/dbraw/zinc/61/16/61/659611661.db2.gz OGRIKUHPDUQFFI-QWRGUYRKSA-N 2 2 293.371 -0.583 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CCC[N@@H+](CCCO)CC1 ZINC000989786823 659614227 /nfs/dbraw/zinc/61/42/27/659614227.db2.gz AKIISDXAMGNOGF-UHFFFAOYSA-N 2 2 266.345 -0.200 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CCC[N@H+](CCCO)CC1 ZINC000989786823 659614231 /nfs/dbraw/zinc/61/42/31/659614231.db2.gz AKIISDXAMGNOGF-UHFFFAOYSA-N 2 2 266.345 -0.200 20 0 CBADLP C[N@H+](C[C@@H](O)C[NH+]1CC[C@H](CS(N)(=O)=O)C1)C1CC1 ZINC000932949207 659647132 /nfs/dbraw/zinc/64/71/32/659647132.db2.gz WDGCCCOZBJRRSU-CMPLNLGQSA-N 2 2 291.417 -0.948 20 0 CBADLP C[N@@H+](C[C@@H](O)C[NH+]1CC[C@H](CS(N)(=O)=O)C1)C1CC1 ZINC000932949207 659647135 /nfs/dbraw/zinc/64/71/35/659647135.db2.gz WDGCCCOZBJRRSU-CMPLNLGQSA-N 2 2 291.417 -0.948 20 0 CBADLP C[NH+](C[C@@H](O)C[N@@H+]1CC[C@H](CS(N)(=O)=O)C1)C1CC1 ZINC000932949207 659647139 /nfs/dbraw/zinc/64/71/39/659647139.db2.gz WDGCCCOZBJRRSU-CMPLNLGQSA-N 2 2 291.417 -0.948 20 0 CBADLP C[NH+](C[C@@H](O)C[N@H+]1CC[C@H](CS(N)(=O)=O)C1)C1CC1 ZINC000932949207 659647146 /nfs/dbraw/zinc/64/71/46/659647146.db2.gz WDGCCCOZBJRRSU-CMPLNLGQSA-N 2 2 291.417 -0.948 20 0 CBADLP C[C@@H]1C[N@H+](CCc2c[nH+]cn2C)C[C@H]1CS(N)(=O)=O ZINC000933695024 659729872 /nfs/dbraw/zinc/72/98/72/659729872.db2.gz BRXGFHPCYHEDNC-MNOVXSKESA-N 2 2 286.401 -0.181 20 0 CBADLP C[C@@H]1C[N@@H+](CCc2c[nH+]cn2C)C[C@H]1CS(N)(=O)=O ZINC000933695024 659729876 /nfs/dbraw/zinc/72/98/76/659729876.db2.gz BRXGFHPCYHEDNC-MNOVXSKESA-N 2 2 286.401 -0.181 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000990516164 659755493 /nfs/dbraw/zinc/75/54/93/659755493.db2.gz NQXHWMWCZJFUAE-NSHDSACASA-N 2 2 291.355 -0.627 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000990516164 659755502 /nfs/dbraw/zinc/75/55/02/659755502.db2.gz NQXHWMWCZJFUAE-NSHDSACASA-N 2 2 291.355 -0.627 20 0 CBADLP C[N@@H+]1CC[C@@H](C(=O)NC2CN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC000991720156 659842772 /nfs/dbraw/zinc/84/27/72/659842772.db2.gz YXXLLXDRUHPBEB-SNVBAGLBSA-N 2 2 291.355 -0.769 20 0 CBADLP C[N@H+]1CC[C@@H](C(=O)NC2CN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC000991720156 659842773 /nfs/dbraw/zinc/84/27/73/659842773.db2.gz YXXLLXDRUHPBEB-SNVBAGLBSA-N 2 2 291.355 -0.769 20 0 CBADLP C[N@@H+]1CC[C@@H](C(=O)NC2CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC000991716626 659842820 /nfs/dbraw/zinc/84/28/20/659842820.db2.gz FEOWEONJIITRAY-LLVKDONJSA-N 2 2 291.355 -0.838 20 0 CBADLP C[N@H+]1CC[C@@H](C(=O)NC2CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC000991716626 659842821 /nfs/dbraw/zinc/84/28/21/659842821.db2.gz FEOWEONJIITRAY-LLVKDONJSA-N 2 2 291.355 -0.838 20 0 CBADLP C[C@@H]([NH2+]C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1)C(N)=O ZINC000991902208 659848439 /nfs/dbraw/zinc/84/84/39/659848439.db2.gz SIEPSBSNSDDPOX-SNVBAGLBSA-N 2 2 293.371 -0.203 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[N@H+](CC(N)=O)[C@@H]1C ZINC000993602879 659869999 /nfs/dbraw/zinc/86/99/99/659869999.db2.gz BLIZPHYYBGFPOF-VXGBXAGGSA-N 2 2 293.371 -0.354 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)[C@@H]1C ZINC000993602879 659870002 /nfs/dbraw/zinc/87/00/02/659870002.db2.gz BLIZPHYYBGFPOF-VXGBXAGGSA-N 2 2 293.371 -0.354 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[N@H+](CC(N)=O)[C@H]1C ZINC000993602877 659870134 /nfs/dbraw/zinc/87/01/34/659870134.db2.gz BLIZPHYYBGFPOF-RYUDHWBXSA-N 2 2 293.371 -0.354 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[N@@H+](CC(N)=O)[C@H]1C ZINC000993602877 659870135 /nfs/dbraw/zinc/87/01/35/659870135.db2.gz BLIZPHYYBGFPOF-RYUDHWBXSA-N 2 2 293.371 -0.354 20 0 CBADLP CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)[C@H]1C ZINC000994408015 659881683 /nfs/dbraw/zinc/88/16/83/659881683.db2.gz MNIAJDWZTSCACB-OLZOCXBDSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)[C@H]1C ZINC000994408015 659881686 /nfs/dbraw/zinc/88/16/86/659881686.db2.gz MNIAJDWZTSCACB-OLZOCXBDSA-N 2 2 296.415 -0.203 20 0 CBADLP CC[C@H](C(=O)N1CC(NC(=O)Cn2cc[nH+]c2)C1)[NH+](C)C ZINC000994923607 659888177 /nfs/dbraw/zinc/88/81/77/659888177.db2.gz PTURYFMFHXPJFF-GFCCVEGCSA-N 2 2 293.371 -0.450 20 0 CBADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1[NH2+]CCO ZINC000939535052 659890563 /nfs/dbraw/zinc/89/05/63/659890563.db2.gz OSOXDBBLDKTZOO-ZYHUDNBSSA-N 2 2 266.345 -0.609 20 0 CBADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]CCO ZINC000939855904 659895913 /nfs/dbraw/zinc/89/59/13/659895913.db2.gz IBYNIABIWCYCSV-GHMZBOCLSA-N 2 2 252.318 -0.688 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1C ZINC000942518323 659924353 /nfs/dbraw/zinc/92/43/53/659924353.db2.gz PXUOQZIOFBLZSJ-ZYHUDNBSSA-N 2 2 293.371 -0.497 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1C ZINC000942518323 659924355 /nfs/dbraw/zinc/92/43/55/659924355.db2.gz PXUOQZIOFBLZSJ-ZYHUDNBSSA-N 2 2 293.371 -0.497 20 0 CBADLP C[C@H]1C[N@H+](CC(N)=O)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945810429 659943304 /nfs/dbraw/zinc/94/33/04/659943304.db2.gz XPQCAXFWGVIABR-WDEREUQCSA-N 2 2 279.344 -0.805 20 0 CBADLP C[C@H]1C[N@@H+](CC(N)=O)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945810429 659943306 /nfs/dbraw/zinc/94/33/06/659943306.db2.gz XPQCAXFWGVIABR-WDEREUQCSA-N 2 2 279.344 -0.805 20 0 CBADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC000948759475 659969841 /nfs/dbraw/zinc/96/98/41/659969841.db2.gz ARIZFZJTUQPSKS-WCQYABFASA-N 2 2 269.389 -0.148 20 0 CBADLP C[C@@H](O)C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC000950490833 659992565 /nfs/dbraw/zinc/99/25/65/659992565.db2.gz DXYABNOISXZOAM-CHWSQXEVSA-N 2 2 269.389 -0.004 20 0 CBADLP C[C@@H](O)C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC000950490833 659992568 /nfs/dbraw/zinc/99/25/68/659992568.db2.gz DXYABNOISXZOAM-CHWSQXEVSA-N 2 2 269.389 -0.004 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001076633394 805583365 /nfs/dbraw/zinc/58/33/65/805583365.db2.gz LYZZUZAWSYQMQF-NWDGAFQWSA-N 2 2 264.329 -0.592 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001076633394 805583374 /nfs/dbraw/zinc/58/33/74/805583374.db2.gz LYZZUZAWSYQMQF-NWDGAFQWSA-N 2 2 264.329 -0.592 20 0 CBADLP CC(C)=CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001076838679 805636113 /nfs/dbraw/zinc/63/61/13/805636113.db2.gz IEADSYBLVVRBFL-MGPQQGTHSA-N 2 2 297.399 -0.556 20 0 CBADLP CC(C)=CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001076838679 805636119 /nfs/dbraw/zinc/63/61/19/805636119.db2.gz IEADSYBLVVRBFL-MGPQQGTHSA-N 2 2 297.399 -0.556 20 0 CBADLP CC(C)=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001076838679 805636123 /nfs/dbraw/zinc/63/61/23/805636123.db2.gz IEADSYBLVVRBFL-MGPQQGTHSA-N 2 2 297.399 -0.556 20 0 CBADLP CC(C)=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001076838679 805636128 /nfs/dbraw/zinc/63/61/28/805636128.db2.gz IEADSYBLVVRBFL-MGPQQGTHSA-N 2 2 297.399 -0.556 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+]([C@@H](C)COC)CC2)C1 ZINC000081408413 790364525 /nfs/dbraw/zinc/36/45/25/790364525.db2.gz CANJUHRHHZZHHS-UONOGXRCSA-N 2 2 299.415 -0.114 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[NH+]([C@@H](C)COC)CC2)C1 ZINC000081408413 790364535 /nfs/dbraw/zinc/36/45/35/790364535.db2.gz CANJUHRHHZZHHS-UONOGXRCSA-N 2 2 299.415 -0.114 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[NH+]([C@@H](C)COC)CC2)C1 ZINC000081408412 790365389 /nfs/dbraw/zinc/36/53/89/790365389.db2.gz CANJUHRHHZZHHS-KBPBESRZSA-N 2 2 299.415 -0.114 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[NH+]([C@@H](C)COC)CC2)C1 ZINC000081408412 790365400 /nfs/dbraw/zinc/36/54/00/790365400.db2.gz CANJUHRHHZZHHS-KBPBESRZSA-N 2 2 299.415 -0.114 20 0 CBADLP CC[NH+]1CCC([NH2+]CC(=O)N2CCOCC2)CC1 ZINC000304486224 790471347 /nfs/dbraw/zinc/47/13/47/790471347.db2.gz LIGNPZRCDSXWSY-UHFFFAOYSA-N 2 2 255.362 -0.081 20 0 CBADLP CCNC(=O)C(C)(C)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000313048042 790478340 /nfs/dbraw/zinc/47/83/40/790478340.db2.gz PJVPOJVULOPOPY-NSHDSACASA-N 2 2 257.378 -0.054 20 0 CBADLP CCNC(=O)C(C)(C)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000313048042 790478343 /nfs/dbraw/zinc/47/83/43/790478343.db2.gz PJVPOJVULOPOPY-NSHDSACASA-N 2 2 257.378 -0.054 20 0 CBADLP C[C@H]([NH3+])C[N@H+](C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000382255659 790526959 /nfs/dbraw/zinc/52/69/59/790526959.db2.gz BKBMNGMSKASXAJ-JTQLQIEISA-N 2 2 287.385 -0.008 20 0 CBADLP C[C@H]([NH3+])C[N@@H+](C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000382255659 790526970 /nfs/dbraw/zinc/52/69/70/790526970.db2.gz BKBMNGMSKASXAJ-JTQLQIEISA-N 2 2 287.385 -0.008 20 0 CBADLP O[C@H](CN1CCC[N@@H+]2CCC[C@@H]2C1)C[NH+]1CCOCC1 ZINC000382971022 790528196 /nfs/dbraw/zinc/52/81/96/790528196.db2.gz JJQQXWJBRWBWAI-CABCVRRESA-N 2 2 283.416 -0.150 20 0 CBADLP O[C@H](CN1CCC[N@H+]2CCC[C@@H]2C1)C[NH+]1CCOCC1 ZINC000382971022 790528201 /nfs/dbraw/zinc/52/82/01/790528201.db2.gz JJQQXWJBRWBWAI-CABCVRRESA-N 2 2 283.416 -0.150 20 0 CBADLP C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]([NH3+])CC(F)F)C1 ZINC000383441804 790529355 /nfs/dbraw/zinc/52/93/55/790529355.db2.gz GWZFTVMPNOKGOS-SFYZADRCSA-N 2 2 251.277 -0.584 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](CC[NH3+])C1 ZINC000385236891 790540071 /nfs/dbraw/zinc/54/00/71/790540071.db2.gz JXPIOLKNQUQFJD-QWHCGFSZSA-N 3 2 259.394 -0.404 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](CC[NH3+])C1 ZINC000385236891 790540073 /nfs/dbraw/zinc/54/00/73/790540073.db2.gz JXPIOLKNQUQFJD-QWHCGFSZSA-N 3 2 259.394 -0.404 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000385236891 790540080 /nfs/dbraw/zinc/54/00/80/790540080.db2.gz JXPIOLKNQUQFJD-QWHCGFSZSA-N 3 2 259.394 -0.404 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000385236891 790540086 /nfs/dbraw/zinc/54/00/86/790540086.db2.gz JXPIOLKNQUQFJD-QWHCGFSZSA-N 3 2 259.394 -0.404 20 0 CBADLP C[C@@H]1CN(C[C@@H](O)C[NH+]2CCOCC2)C[C@@H](C)[NH2+]1 ZINC000386454002 790548480 /nfs/dbraw/zinc/54/84/80/790548480.db2.gz RRGABDSKXPLSKH-UPJWGTAASA-N 2 2 257.378 -0.638 20 0 CBADLP C[C@@H]1CC[C@H]([NH2+]CCC(=O)N2CCOCC2)C[NH2+]1 ZINC000398967943 790598406 /nfs/dbraw/zinc/59/84/06/790598406.db2.gz SRHDKVHTVWAMNZ-NEPJUHHUSA-N 2 2 255.362 -0.035 20 0 CBADLP CO[C@]1(CO)CCC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000401726855 790606972 /nfs/dbraw/zinc/60/69/72/790606972.db2.gz QZHFUQGFNPZWFF-ZIAGYGMSSA-N 2 2 272.389 -0.084 20 0 CBADLP CO[C@]1(CO)CCC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000401726855 790606976 /nfs/dbraw/zinc/60/69/76/790606976.db2.gz QZHFUQGFNPZWFF-ZIAGYGMSSA-N 2 2 272.389 -0.084 20 0 CBADLP C[N@@H+]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1CO ZINC000687598769 790661196 /nfs/dbraw/zinc/66/11/96/790661196.db2.gz QIFPIEXLVBYCDF-ZDUSSCGKSA-N 2 2 281.400 -0.003 20 0 CBADLP C[N@H+]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1CO ZINC000687598769 790661198 /nfs/dbraw/zinc/66/11/98/790661198.db2.gz QIFPIEXLVBYCDF-ZDUSSCGKSA-N 2 2 281.400 -0.003 20 0 CBADLP CC[NH+](CC)C[C@H](O)C[NH+]1CCC(NC(N)=O)CC1 ZINC000702148188 790718551 /nfs/dbraw/zinc/71/85/51/790718551.db2.gz PUHSOWZZJZRVQC-LBPRGKRZSA-N 2 2 272.393 -0.178 20 0 CBADLP C[N@H+](C[C@@H](O)CO)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000711820490 790748156 /nfs/dbraw/zinc/74/81/56/790748156.db2.gz JMRYDHTZPUVLAP-HZPDHXFCSA-N 2 2 294.395 -0.092 20 0 CBADLP C[N@@H+](C[C@@H](O)CO)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000711820490 790748162 /nfs/dbraw/zinc/74/81/62/790748162.db2.gz JMRYDHTZPUVLAP-HZPDHXFCSA-N 2 2 294.395 -0.092 20 0 CBADLP C[NH+](C[C@@H](O)CO)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000711820490 790748168 /nfs/dbraw/zinc/74/81/68/790748168.db2.gz JMRYDHTZPUVLAP-HZPDHXFCSA-N 2 2 294.395 -0.092 20 0 CBADLP C[NH+](C[C@@H](O)CO)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000711820490 790748175 /nfs/dbraw/zinc/74/81/75/790748175.db2.gz JMRYDHTZPUVLAP-HZPDHXFCSA-N 2 2 294.395 -0.092 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000721011365 790776810 /nfs/dbraw/zinc/77/68/10/790776810.db2.gz BRMBXZDLKLYABE-QNWHQSFQSA-N 2 2 267.373 -0.321 20 0 CBADLP CO[C@@H]1CCOC[C@H]1[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000724889800 790812337 /nfs/dbraw/zinc/81/23/37/790812337.db2.gz BCUGDKWERIBQOA-JHJVBQTASA-N 2 2 258.362 -0.165 20 0 CBADLP CO[C@@H]1CCOC[C@H]1[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000724889800 790812345 /nfs/dbraw/zinc/81/23/45/790812345.db2.gz BCUGDKWERIBQOA-JHJVBQTASA-N 2 2 258.362 -0.165 20 0 CBADLP C[C@@H](CC(=O)NC[C@]1(CO)COCC[NH2+]1)n1cc[nH+]c1 ZINC000828697020 790887470 /nfs/dbraw/zinc/88/74/70/790887470.db2.gz CWPWPWNLJBOSOK-AAEUAGOBSA-N 2 2 282.344 -0.699 20 0 CBADLP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1)C(N)=O ZINC001022230564 790998593 /nfs/dbraw/zinc/99/85/93/790998593.db2.gz ZKDAPRXEMCNLTQ-KAMPLNKDSA-N 2 2 291.355 -0.376 20 0 CBADLP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1)C(N)=O ZINC001022230564 790998603 /nfs/dbraw/zinc/99/86/03/790998603.db2.gz ZKDAPRXEMCNLTQ-KAMPLNKDSA-N 2 2 291.355 -0.376 20 0 CBADLP COc1cc[nH+]cc1CC(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001022275865 791002254 /nfs/dbraw/zinc/00/22/54/791002254.db2.gz TZUFJFFFEIFBPY-PHIMTYICSA-N 2 2 292.339 -0.645 20 0 CBADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCO)C1 ZINC001022492433 791016976 /nfs/dbraw/zinc/01/69/76/791016976.db2.gz DHHKRBOYOJFMBR-HZSPNIEDSA-N 2 2 299.415 -0.284 20 0 CBADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCO)C1 ZINC001022492433 791016987 /nfs/dbraw/zinc/01/69/87/791016987.db2.gz DHHKRBOYOJFMBR-HZSPNIEDSA-N 2 2 299.415 -0.284 20 0 CBADLP NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001022692935 791040617 /nfs/dbraw/zinc/04/06/17/791040617.db2.gz TVEBCDSDPWMMKQ-AEJSXWLSSA-N 2 2 291.355 -0.448 20 0 CBADLP CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001077033950 805676867 /nfs/dbraw/zinc/67/68/67/805676867.db2.gz ALGGKOUXDPCYRE-CHWSQXEVSA-N 2 2 292.383 -0.057 20 0 CBADLP CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001077033950 805676869 /nfs/dbraw/zinc/67/68/69/805676869.db2.gz ALGGKOUXDPCYRE-CHWSQXEVSA-N 2 2 292.383 -0.057 20 0 CBADLP COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001077675165 805764338 /nfs/dbraw/zinc/76/43/38/805764338.db2.gz DBDWZWIRBMHZAK-YNEHKIRRSA-N 2 2 285.388 -0.722 20 0 CBADLP COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001077675165 805764340 /nfs/dbraw/zinc/76/43/40/805764340.db2.gz DBDWZWIRBMHZAK-YNEHKIRRSA-N 2 2 285.388 -0.722 20 0 CBADLP COCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001077675165 805764343 /nfs/dbraw/zinc/76/43/43/805764343.db2.gz DBDWZWIRBMHZAK-YNEHKIRRSA-N 2 2 285.388 -0.722 20 0 CBADLP COCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001077675165 805764346 /nfs/dbraw/zinc/76/43/46/805764346.db2.gz DBDWZWIRBMHZAK-YNEHKIRRSA-N 2 2 285.388 -0.722 20 0 CBADLP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@H+](CCF)C[C@H]2O)CC1 ZINC001077778528 805784770 /nfs/dbraw/zinc/78/47/70/805784770.db2.gz OOOGEJQNBULONH-CHWSQXEVSA-N 2 2 287.379 -0.151 20 0 CBADLP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@@H+](CCF)C[C@H]2O)CC1 ZINC001077778528 805784784 /nfs/dbraw/zinc/78/47/84/805784784.db2.gz OOOGEJQNBULONH-CHWSQXEVSA-N 2 2 287.379 -0.151 20 0 CBADLP COC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001078007623 805824689 /nfs/dbraw/zinc/82/46/89/805824689.db2.gz WMTOSLDYALMRDG-CYZMBNFOSA-N 2 2 296.371 -0.841 20 0 CBADLP COC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001078007623 805824700 /nfs/dbraw/zinc/82/47/00/805824700.db2.gz WMTOSLDYALMRDG-CYZMBNFOSA-N 2 2 296.371 -0.841 20 0 CBADLP O=C(N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078012192 805822757 /nfs/dbraw/zinc/82/27/57/805822757.db2.gz XVBIKCOBSHYNJN-IYODYBDTSA-N 2 2 299.802 -0.004 20 0 CBADLP O=C(N[C@@H]1C[N@H+](C/C=C/Cl)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078012192 805822766 /nfs/dbraw/zinc/82/27/66/805822766.db2.gz XVBIKCOBSHYNJN-IYODYBDTSA-N 2 2 299.802 -0.004 20 0 CBADLP CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001078083177 805831248 /nfs/dbraw/zinc/83/12/48/805831248.db2.gz LCKAHSGFVNDSLV-GHMZBOCLSA-N 2 2 252.318 -0.558 20 0 CBADLP CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001078083177 805831257 /nfs/dbraw/zinc/83/12/57/805831257.db2.gz LCKAHSGFVNDSLV-GHMZBOCLSA-N 2 2 252.318 -0.558 20 0 CBADLP COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001078080835 805830202 /nfs/dbraw/zinc/83/02/02/805830202.db2.gz HKWOXSDHICZRSX-VXGBXAGGSA-N 2 2 282.344 -0.932 20 0 CBADLP COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001078080835 805830212 /nfs/dbraw/zinc/83/02/12/805830212.db2.gz HKWOXSDHICZRSX-VXGBXAGGSA-N 2 2 282.344 -0.932 20 0 CBADLP C[C@@H](CCNC(=O)CC[NH+](C)C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001078197915 805857031 /nfs/dbraw/zinc/85/70/31/805857031.db2.gz SKFGVNMAHFNMOJ-NSHDSACASA-N 2 2 295.387 -0.085 20 0 CBADLP CC[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1)OC ZINC001078272013 805866224 /nfs/dbraw/zinc/86/62/24/805866224.db2.gz CLWFKUXFJLFJBR-JHJVBQTASA-N 2 2 296.371 -0.531 20 0 CBADLP CC[C@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1)OC ZINC001078272013 805866232 /nfs/dbraw/zinc/86/62/32/805866232.db2.gz CLWFKUXFJLFJBR-JHJVBQTASA-N 2 2 296.371 -0.531 20 0 CBADLP NC(=O)C[NH2+][C@@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C12CCC2 ZINC001078761814 805889884 /nfs/dbraw/zinc/88/98/84/805889884.db2.gz RDSFKDGZWHXYFE-ZJUUUORDSA-N 2 2 291.355 -0.546 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NCC[NH2+]C[C@H]1CCOC1 ZINC001147908468 814926333 /nfs/dbraw/zinc/92/63/33/814926333.db2.gz VMUIEOJCEYJCCV-LLVKDONJSA-N 2 2 266.345 -0.295 20 0 CBADLP C[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001079993597 805953574 /nfs/dbraw/zinc/95/35/74/805953574.db2.gz RMIGFACFTXHIDK-MBNYWOFBSA-N 2 2 292.383 -0.126 20 0 CBADLP C[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001079993597 805953581 /nfs/dbraw/zinc/95/35/81/805953581.db2.gz RMIGFACFTXHIDK-MBNYWOFBSA-N 2 2 292.383 -0.126 20 0 CBADLP CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001079965693 805953951 /nfs/dbraw/zinc/95/39/51/805953951.db2.gz RCCZWRRMJTVELE-JHJVBQTASA-N 2 2 296.415 -0.347 20 0 CBADLP CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001079965693 805953956 /nfs/dbraw/zinc/95/39/56/805953956.db2.gz RCCZWRRMJTVELE-JHJVBQTASA-N 2 2 296.415 -0.347 20 0 CBADLP CNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001079965693 805953960 /nfs/dbraw/zinc/95/39/60/805953960.db2.gz RCCZWRRMJTVELE-JHJVBQTASA-N 2 2 296.415 -0.347 20 0 CBADLP CNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001079965693 805953964 /nfs/dbraw/zinc/95/39/64/805953964.db2.gz RCCZWRRMJTVELE-JHJVBQTASA-N 2 2 296.415 -0.347 20 0 CBADLP CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001079965694 805954891 /nfs/dbraw/zinc/95/48/91/805954891.db2.gz RCCZWRRMJTVELE-UPJWGTAASA-N 2 2 296.415 -0.347 20 0 CBADLP CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001079965694 805954897 /nfs/dbraw/zinc/95/48/97/805954897.db2.gz RCCZWRRMJTVELE-UPJWGTAASA-N 2 2 296.415 -0.347 20 0 CBADLP CNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001079965694 805954903 /nfs/dbraw/zinc/95/49/03/805954903.db2.gz RCCZWRRMJTVELE-UPJWGTAASA-N 2 2 296.415 -0.347 20 0 CBADLP CNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001079965694 805954911 /nfs/dbraw/zinc/95/49/11/805954911.db2.gz RCCZWRRMJTVELE-UPJWGTAASA-N 2 2 296.415 -0.347 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@H]1C ZINC001080138740 805960510 /nfs/dbraw/zinc/96/05/10/805960510.db2.gz OXZJBCZYWVQMIO-YUSALJHKSA-N 2 2 293.371 -0.498 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C ZINC001080139482 805960830 /nfs/dbraw/zinc/96/08/30/805960830.db2.gz GRZOEFGOFMSISF-MWLCHTKSSA-N 2 2 279.344 -0.887 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C ZINC001080139482 805960837 /nfs/dbraw/zinc/96/08/37/805960837.db2.gz GRZOEFGOFMSISF-MWLCHTKSSA-N 2 2 279.344 -0.887 20 0 CBADLP CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001080447060 805985109 /nfs/dbraw/zinc/98/51/09/805985109.db2.gz VYZQSPHZJKMLQX-YNEHKIRRSA-N 2 2 296.415 -0.489 20 0 CBADLP CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001080447060 805985117 /nfs/dbraw/zinc/98/51/17/805985117.db2.gz VYZQSPHZJKMLQX-YNEHKIRRSA-N 2 2 296.415 -0.489 20 0 CBADLP CNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001080447060 805985123 /nfs/dbraw/zinc/98/51/23/805985123.db2.gz VYZQSPHZJKMLQX-YNEHKIRRSA-N 2 2 296.415 -0.489 20 0 CBADLP CNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001080447060 805985126 /nfs/dbraw/zinc/98/51/26/805985126.db2.gz VYZQSPHZJKMLQX-YNEHKIRRSA-N 2 2 296.415 -0.489 20 0 CBADLP C[C@@H]1C[N@H+](CCCO)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001080782339 806010267 /nfs/dbraw/zinc/01/02/67/806010267.db2.gz GYCFZTCOHRFLSU-DGCLKSJQSA-N 2 2 280.372 -0.219 20 0 CBADLP C[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001080782339 806010278 /nfs/dbraw/zinc/01/02/78/806010278.db2.gz GYCFZTCOHRFLSU-DGCLKSJQSA-N 2 2 280.372 -0.219 20 0 CBADLP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001080787695 806010304 /nfs/dbraw/zinc/01/03/04/806010304.db2.gz OAYQGPBQTZXVAR-GHMZBOCLSA-N 2 2 280.372 -0.996 20 0 CBADLP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001080787695 806010313 /nfs/dbraw/zinc/01/03/13/806010313.db2.gz OAYQGPBQTZXVAR-GHMZBOCLSA-N 2 2 280.372 -0.996 20 0 CBADLP C[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001081038202 806025927 /nfs/dbraw/zinc/02/59/27/806025927.db2.gz RYHDLHYCPVOPDT-GHMZBOCLSA-N 2 2 252.318 -0.688 20 0 CBADLP C[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001081038202 806025936 /nfs/dbraw/zinc/02/59/36/806025936.db2.gz RYHDLHYCPVOPDT-GHMZBOCLSA-N 2 2 252.318 -0.688 20 0 CBADLP C[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001081036902 806022911 /nfs/dbraw/zinc/02/29/11/806022911.db2.gz FCUKLIXLQSPEEE-GRYCIOLGSA-N 2 2 266.345 -0.300 20 0 CBADLP C[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001081036902 806022920 /nfs/dbraw/zinc/02/29/20/806022920.db2.gz FCUKLIXLQSPEEE-GRYCIOLGSA-N 2 2 266.345 -0.300 20 0 CBADLP O=C(NCC[NH2+]Cc1nncs1)C12CC[NH+](CC1)C2 ZINC001147977359 814928313 /nfs/dbraw/zinc/92/83/13/814928313.db2.gz PQTCZDNOQFLTTC-UHFFFAOYSA-N 2 2 281.385 -0.160 20 0 CBADLP O=C(NCC[NH2+]Cc1cnsn1)C12CC[NH+](CC1)C2 ZINC001147970770 814928333 /nfs/dbraw/zinc/92/83/33/814928333.db2.gz OKLPBWJFVWQUKY-UHFFFAOYSA-N 2 2 281.385 -0.160 20 0 CBADLP CO[C@@H]1C[N@H+](CC2CC2)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001081481546 806087121 /nfs/dbraw/zinc/08/71/21/806087121.db2.gz MMDKVZHVILHITD-MGPQQGTHSA-N 2 2 297.399 -0.458 20 0 CBADLP CO[C@@H]1C[N@@H+](CC2CC2)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001081481546 806087131 /nfs/dbraw/zinc/08/71/31/806087131.db2.gz MMDKVZHVILHITD-MGPQQGTHSA-N 2 2 297.399 -0.458 20 0 CBADLP CO[C@@H]1C[NH+](CC2CC2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001081481546 806087139 /nfs/dbraw/zinc/08/71/39/806087139.db2.gz MMDKVZHVILHITD-MGPQQGTHSA-N 2 2 297.399 -0.458 20 0 CBADLP CO[C@@H]1C[NH+](CC2CC2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001081481546 806087148 /nfs/dbraw/zinc/08/71/48/806087148.db2.gz MMDKVZHVILHITD-MGPQQGTHSA-N 2 2 297.399 -0.458 20 0 CBADLP CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@H](OC)C1 ZINC001081481758 806088779 /nfs/dbraw/zinc/08/87/79/806088779.db2.gz USLVFTSYJBXZQT-UPJWGTAASA-N 2 2 285.388 -0.458 20 0 CBADLP CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@H](OC)C1 ZINC001081481758 806088787 /nfs/dbraw/zinc/08/87/87/806088787.db2.gz USLVFTSYJBXZQT-UPJWGTAASA-N 2 2 285.388 -0.458 20 0 CBADLP CCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)[C@H](OC)C1 ZINC001081481758 806088798 /nfs/dbraw/zinc/08/87/98/806088798.db2.gz USLVFTSYJBXZQT-UPJWGTAASA-N 2 2 285.388 -0.458 20 0 CBADLP CCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H](OC)C1 ZINC001081481758 806088808 /nfs/dbraw/zinc/08/88/08/806088808.db2.gz USLVFTSYJBXZQT-UPJWGTAASA-N 2 2 285.388 -0.458 20 0 CBADLP CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001082137896 806147987 /nfs/dbraw/zinc/14/79/87/806147987.db2.gz GAXMUWOJVBHRFO-CHWSQXEVSA-N 2 2 299.415 -0.474 20 0 CBADLP CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001082137896 806147991 /nfs/dbraw/zinc/14/79/91/806147991.db2.gz GAXMUWOJVBHRFO-CHWSQXEVSA-N 2 2 299.415 -0.474 20 0 CBADLP CO[C@@H]1C[NH+](CCO)C[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001082137896 806148006 /nfs/dbraw/zinc/14/80/06/806148006.db2.gz GAXMUWOJVBHRFO-CHWSQXEVSA-N 2 2 299.415 -0.474 20 0 CBADLP CO[C@@H]1C[N@H+](CCF)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001082368637 806171277 /nfs/dbraw/zinc/17/12/77/806171277.db2.gz JGJNRCNPDIDXBV-QJPTWQEYSA-N 2 2 273.352 -0.277 20 0 CBADLP CO[C@@H]1C[N@@H+](CCF)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001082368637 806171283 /nfs/dbraw/zinc/17/12/83/806171283.db2.gz JGJNRCNPDIDXBV-QJPTWQEYSA-N 2 2 273.352 -0.277 20 0 CBADLP CO[C@@H]1C[NH+](CCF)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001082368637 806171286 /nfs/dbraw/zinc/17/12/86/806171286.db2.gz JGJNRCNPDIDXBV-QJPTWQEYSA-N 2 2 273.352 -0.277 20 0 CBADLP CO[C@@H]1C[NH+](CCF)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001082368637 806171291 /nfs/dbraw/zinc/17/12/91/806171291.db2.gz JGJNRCNPDIDXBV-QJPTWQEYSA-N 2 2 273.352 -0.277 20 0 CBADLP COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](OC)C1 ZINC001082395365 806172439 /nfs/dbraw/zinc/17/24/39/806172439.db2.gz XYWQDGFDAHUUGB-YNEHKIRRSA-N 2 2 296.371 -0.267 20 0 CBADLP COC[C@H](C)[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](OC)C1 ZINC001082395365 806172444 /nfs/dbraw/zinc/17/24/44/806172444.db2.gz XYWQDGFDAHUUGB-YNEHKIRRSA-N 2 2 296.371 -0.267 20 0 CBADLP COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](OC)C1 ZINC001082395364 806173742 /nfs/dbraw/zinc/17/37/42/806173742.db2.gz XYWQDGFDAHUUGB-JHJVBQTASA-N 2 2 296.371 -0.267 20 0 CBADLP COC[C@@H](C)[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](OC)C1 ZINC001082395364 806173748 /nfs/dbraw/zinc/17/37/48/806173748.db2.gz XYWQDGFDAHUUGB-JHJVBQTASA-N 2 2 296.371 -0.267 20 0 CBADLP C[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H]1[NH2+]CCO ZINC001082603859 806188538 /nfs/dbraw/zinc/18/85/38/806188538.db2.gz SQTZLGUKJKKEDD-FRRDWIJNSA-N 2 2 292.383 -0.126 20 0 CBADLP C[C@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCCC3)[C@H]2C1 ZINC001083275785 806245820 /nfs/dbraw/zinc/24/58/20/806245820.db2.gz WUSCUNOUZWKIQR-MELADBBJSA-N 2 2 297.399 -0.625 20 0 CBADLP C[C@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCCC3)[C@H]2C1 ZINC001083275785 806245829 /nfs/dbraw/zinc/24/58/29/806245829.db2.gz WUSCUNOUZWKIQR-MELADBBJSA-N 2 2 297.399 -0.625 20 0 CBADLP COCC[N@@H+]1C[C@H]2OCCN(C(=O)Cn3cc[nH+]c3)[C@H]2C1 ZINC001083290471 806245915 /nfs/dbraw/zinc/24/59/15/806245915.db2.gz BPQFRZYKRFOXBC-QWHCGFSZSA-N 2 2 294.355 -0.559 20 0 CBADLP COCC[N@H+]1C[C@H]2OCCN(C(=O)Cn3cc[nH+]c3)[C@H]2C1 ZINC001083290471 806245919 /nfs/dbraw/zinc/24/59/19/806245919.db2.gz BPQFRZYKRFOXBC-QWHCGFSZSA-N 2 2 294.355 -0.559 20 0 CBADLP CC(C)=CC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)[C@@H](O)C1 ZINC001083385244 806297024 /nfs/dbraw/zinc/29/70/24/806297024.db2.gz IEADSYBLVVRBFL-RDBSUJKOSA-N 2 2 297.399 -0.556 20 0 CBADLP CC(C)=CC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@@H](O)C1 ZINC001083385244 806297029 /nfs/dbraw/zinc/29/70/29/806297029.db2.gz IEADSYBLVVRBFL-RDBSUJKOSA-N 2 2 297.399 -0.556 20 0 CBADLP CC(C)=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@@H](O)C1 ZINC001083385244 806297035 /nfs/dbraw/zinc/29/70/35/806297035.db2.gz IEADSYBLVVRBFL-RDBSUJKOSA-N 2 2 297.399 -0.556 20 0 CBADLP CC(C)=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@@H](O)C1 ZINC001083385244 806297043 /nfs/dbraw/zinc/29/70/43/806297043.db2.gz IEADSYBLVVRBFL-RDBSUJKOSA-N 2 2 297.399 -0.556 20 0 CBADLP CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)[C@@H](O)C1 ZINC001083581660 806375774 /nfs/dbraw/zinc/37/57/74/806375774.db2.gz FJTPERBNHNSIMY-UTUOFQBUSA-N 2 2 278.356 -0.373 20 0 CBADLP CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)[C@@H](O)C1 ZINC001083581660 806375786 /nfs/dbraw/zinc/37/57/86/806375786.db2.gz FJTPERBNHNSIMY-UTUOFQBUSA-N 2 2 278.356 -0.373 20 0 CBADLP C[C@@H](F)CC[N@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001083954118 806468638 /nfs/dbraw/zinc/46/86/38/806468638.db2.gz LTWSIWFYZWASQF-RTXFEEFZSA-N 2 2 298.362 -0.128 20 0 CBADLP C[C@@H](F)CC[N@@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001083954118 806468642 /nfs/dbraw/zinc/46/86/42/806468642.db2.gz LTWSIWFYZWASQF-RTXFEEFZSA-N 2 2 298.362 -0.128 20 0 CBADLP CO[C@@H](C)C[N@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](O)C1 ZINC001083997654 806474326 /nfs/dbraw/zinc/47/43/26/806474326.db2.gz HKANLQLSCNOWDZ-BIMULSAOSA-N 2 2 296.371 -0.543 20 0 CBADLP CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](O)C1 ZINC001083997654 806474329 /nfs/dbraw/zinc/47/43/29/806474329.db2.gz HKANLQLSCNOWDZ-BIMULSAOSA-N 2 2 296.371 -0.543 20 0 CBADLP CC[C@H](F)C[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001084057370 806481862 /nfs/dbraw/zinc/48/18/62/806481862.db2.gz HNADOVCFZWTSKF-XQQFMLRXSA-N 2 2 287.379 -0.008 20 0 CBADLP CC[C@H](F)C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001084057370 806481869 /nfs/dbraw/zinc/48/18/69/806481869.db2.gz HNADOVCFZWTSKF-XQQFMLRXSA-N 2 2 287.379 -0.008 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@@H+](CCC2CC2)C[C@@H]1O ZINC001084115510 806492728 /nfs/dbraw/zinc/49/27/28/806492728.db2.gz VHPFQABESPWUNZ-OLZOCXBDSA-N 2 2 278.356 -0.156 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@H+](CCC2CC2)C[C@@H]1O ZINC001084115510 806492732 /nfs/dbraw/zinc/49/27/32/806492732.db2.gz VHPFQABESPWUNZ-OLZOCXBDSA-N 2 2 278.356 -0.156 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]2CC[N@H+](CCCO)C[C@H]21 ZINC001084775608 806535329 /nfs/dbraw/zinc/53/53/29/806535329.db2.gz OBCRJVAHQPBQGQ-TZMCWYRMSA-N 2 2 292.383 -0.122 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]2CC[N@@H+](CCCO)C[C@H]21 ZINC001084775608 806535337 /nfs/dbraw/zinc/53/53/37/806535337.db2.gz OBCRJVAHQPBQGQ-TZMCWYRMSA-N 2 2 292.383 -0.122 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001084830376 806539500 /nfs/dbraw/zinc/53/95/00/806539500.db2.gz TYJSXVISCXUWAX-FRRDWIJNSA-N 2 2 294.399 -0.783 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001084830376 806539506 /nfs/dbraw/zinc/53/95/06/806539506.db2.gz TYJSXVISCXUWAX-FRRDWIJNSA-N 2 2 294.399 -0.783 20 0 CBADLP CNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001084830376 806539515 /nfs/dbraw/zinc/53/95/15/806539515.db2.gz TYJSXVISCXUWAX-FRRDWIJNSA-N 2 2 294.399 -0.783 20 0 CBADLP CNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001084830376 806539520 /nfs/dbraw/zinc/53/95/20/806539520.db2.gz TYJSXVISCXUWAX-FRRDWIJNSA-N 2 2 294.399 -0.783 20 0 CBADLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1)C(N)=O ZINC001085438788 806555637 /nfs/dbraw/zinc/55/56/37/806555637.db2.gz KZBQXXWAJNXKKR-QJPTWQEYSA-N 2 2 293.371 -0.226 20 0 CBADLP COCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001085531085 806572947 /nfs/dbraw/zinc/57/29/47/806572947.db2.gz MDBHFYMJSTUKBS-OLZOCXBDSA-N 2 2 285.388 -0.504 20 0 CBADLP COCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001085531085 806572950 /nfs/dbraw/zinc/57/29/50/806572950.db2.gz MDBHFYMJSTUKBS-OLZOCXBDSA-N 2 2 285.388 -0.504 20 0 CBADLP COCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001085531085 806572956 /nfs/dbraw/zinc/57/29/56/806572956.db2.gz MDBHFYMJSTUKBS-OLZOCXBDSA-N 2 2 285.388 -0.504 20 0 CBADLP COCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001085531085 806572959 /nfs/dbraw/zinc/57/29/59/806572959.db2.gz MDBHFYMJSTUKBS-OLZOCXBDSA-N 2 2 285.388 -0.504 20 0 CBADLP CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001085531284 806574335 /nfs/dbraw/zinc/57/43/35/806574335.db2.gz PJYURMUAMWBZEI-NEPJUHHUSA-N 2 2 255.362 -0.130 20 0 CBADLP CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001085531284 806574339 /nfs/dbraw/zinc/57/43/39/806574339.db2.gz PJYURMUAMWBZEI-NEPJUHHUSA-N 2 2 255.362 -0.130 20 0 CBADLP CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001085531284 806574341 /nfs/dbraw/zinc/57/43/41/806574341.db2.gz PJYURMUAMWBZEI-NEPJUHHUSA-N 2 2 255.362 -0.130 20 0 CBADLP CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001085531284 806574346 /nfs/dbraw/zinc/57/43/46/806574346.db2.gz PJYURMUAMWBZEI-NEPJUHHUSA-N 2 2 255.362 -0.130 20 0 CBADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N(C)C[C@@H]2CC[NH+]2CCO)C1 ZINC001085782238 806607609 /nfs/dbraw/zinc/60/76/09/806607609.db2.gz PQZWJMWDLGLTDC-KBPBESRZSA-N 2 2 299.415 -0.379 20 0 CBADLP CC(C)[N@H+]1CCO[C@H](C(=O)N(C)C[C@@H]2CC[NH+]2CCO)C1 ZINC001085782238 806607617 /nfs/dbraw/zinc/60/76/17/806607617.db2.gz PQZWJMWDLGLTDC-KBPBESRZSA-N 2 2 299.415 -0.379 20 0 CBADLP CC(C)[NH+]1CCO[C@H](C(=O)N(C)C[C@@H]2CC[N@@H+]2CCO)C1 ZINC001085782238 806607624 /nfs/dbraw/zinc/60/76/24/806607624.db2.gz PQZWJMWDLGLTDC-KBPBESRZSA-N 2 2 299.415 -0.379 20 0 CBADLP CC(C)[NH+]1CCO[C@H](C(=O)N(C)C[C@@H]2CC[N@H+]2CCO)C1 ZINC001085782238 806607629 /nfs/dbraw/zinc/60/76/29/806607629.db2.gz PQZWJMWDLGLTDC-KBPBESRZSA-N 2 2 299.415 -0.379 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@H]1CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001085799358 806611368 /nfs/dbraw/zinc/61/13/68/806611368.db2.gz PPDGTRLBZHQBNK-AAEUAGOBSA-N 2 2 296.415 -0.265 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CC[C@H]1CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001085799358 806611373 /nfs/dbraw/zinc/61/13/73/806611373.db2.gz PPDGTRLBZHQBNK-AAEUAGOBSA-N 2 2 296.415 -0.265 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001022978142 798871540 /nfs/dbraw/zinc/87/15/40/798871540.db2.gz RKAOPRHSUPUKDR-UMNHJUIQSA-N 2 2 291.355 -0.912 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@@H]([NH2+]CCO)C1 ZINC001022977137 798871710 /nfs/dbraw/zinc/87/17/10/798871710.db2.gz WZLYZBZLTRUKQM-AOOOYVTPSA-N 2 2 252.318 -0.808 20 0 CBADLP CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C1)C(N)=O ZINC001023160797 798887648 /nfs/dbraw/zinc/88/76/48/798887648.db2.gz BSQFVCWDYDPXRT-AXFHLTTASA-N 2 2 279.344 -0.616 20 0 CBADLP CN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)Cn3cc[nH+]c3)C2)C1=O ZINC001023161143 798888298 /nfs/dbraw/zinc/88/82/98/798888298.db2.gz PQQQLMPVZKWIAQ-TUAOUCFPSA-N 2 2 291.355 -0.649 20 0 CBADLP CNC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001024365497 798933896 /nfs/dbraw/zinc/93/38/96/798933896.db2.gz BHWFCEUAESZGGC-OLZOCXBDSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001024365497 798933898 /nfs/dbraw/zinc/93/38/98/798933898.db2.gz BHWFCEUAESZGGC-OLZOCXBDSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001024365497 798933903 /nfs/dbraw/zinc/93/39/03/798933903.db2.gz BHWFCEUAESZGGC-OLZOCXBDSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001024365497 798933908 /nfs/dbraw/zinc/93/39/08/798933908.db2.gz BHWFCEUAESZGGC-OLZOCXBDSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001024365498 798934410 /nfs/dbraw/zinc/93/44/10/798934410.db2.gz BHWFCEUAESZGGC-QWHCGFSZSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001024365498 798934413 /nfs/dbraw/zinc/93/44/13/798934413.db2.gz BHWFCEUAESZGGC-QWHCGFSZSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001024365498 798934415 /nfs/dbraw/zinc/93/44/15/798934415.db2.gz BHWFCEUAESZGGC-QWHCGFSZSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001024365498 798934419 /nfs/dbraw/zinc/93/44/19/798934419.db2.gz BHWFCEUAESZGGC-QWHCGFSZSA-N 2 2 296.415 -0.203 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2CC[C@H]([NH2+]CCO)[C@@H]2C1 ZINC001026401201 799002793 /nfs/dbraw/zinc/00/27/93/799002793.db2.gz VLBRDJCJJDSPJO-YUTCNCBUSA-N 2 2 292.383 -0.219 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2CC[C@H]([NH2+]CCO)[C@H]2C1 ZINC001026401199 799003332 /nfs/dbraw/zinc/00/33/32/799003332.db2.gz VLBRDJCJJDSPJO-UBHSHLNASA-N 2 2 292.383 -0.219 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2CC[C@H]([NH2+]CCO)[C@H]2C1 ZINC001026432263 799004502 /nfs/dbraw/zinc/00/45/02/799004502.db2.gz QDPBMIKYKNCWNB-AVGNSLFASA-N 2 2 278.356 -0.298 20 0 CBADLP C[C@@H](C(N)=O)[N@H+](C)[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001027595187 799057942 /nfs/dbraw/zinc/05/79/42/799057942.db2.gz WIFXCYGWBVVLJY-CMPLNLGQSA-N 2 2 293.371 -0.251 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+](C)[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001027595187 799057945 /nfs/dbraw/zinc/05/79/45/799057945.db2.gz WIFXCYGWBVVLJY-CMPLNLGQSA-N 2 2 293.371 -0.251 20 0 CBADLP CNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001027972178 799100081 /nfs/dbraw/zinc/10/00/81/799100081.db2.gz RHIYWLNFZSQCSV-QWHCGFSZSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001027972178 799100086 /nfs/dbraw/zinc/10/00/86/799100086.db2.gz RHIYWLNFZSQCSV-QWHCGFSZSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001027972178 799100090 /nfs/dbraw/zinc/10/00/90/799100090.db2.gz RHIYWLNFZSQCSV-QWHCGFSZSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001027972178 799100094 /nfs/dbraw/zinc/10/00/94/799100094.db2.gz RHIYWLNFZSQCSV-QWHCGFSZSA-N 2 2 296.415 -0.203 20 0 CBADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CC(N)=O ZINC001028335353 799124480 /nfs/dbraw/zinc/12/44/80/799124480.db2.gz SNFGUEVQYPNUOL-QWHCGFSZSA-N 2 2 296.415 -0.073 20 0 CBADLP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CC(N)=O ZINC001028335353 799124482 /nfs/dbraw/zinc/12/44/82/799124482.db2.gz SNFGUEVQYPNUOL-QWHCGFSZSA-N 2 2 296.415 -0.073 20 0 CBADLP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC(N)=O ZINC001028335353 799124486 /nfs/dbraw/zinc/12/44/86/799124486.db2.gz SNFGUEVQYPNUOL-QWHCGFSZSA-N 2 2 296.415 -0.073 20 0 CBADLP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC(N)=O ZINC001028335353 799124488 /nfs/dbraw/zinc/12/44/88/799124488.db2.gz SNFGUEVQYPNUOL-QWHCGFSZSA-N 2 2 296.415 -0.073 20 0 CBADLP O=C(NC[C@H]1CC[N@@H+](CCO)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001028606845 799153697 /nfs/dbraw/zinc/15/36/97/799153697.db2.gz CQLVPMJGEMWELZ-IJLUTSLNSA-N 2 2 278.356 -0.056 20 0 CBADLP O=C(NC[C@H]1CC[N@H+](CCO)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001028606845 799153701 /nfs/dbraw/zinc/15/37/01/799153701.db2.gz CQLVPMJGEMWELZ-IJLUTSLNSA-N 2 2 278.356 -0.056 20 0 CBADLP O=C(NC[C@H]1CC[N@@H+](CCO)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001028606845 799153704 /nfs/dbraw/zinc/15/37/04/799153704.db2.gz CQLVPMJGEMWELZ-IJLUTSLNSA-N 2 2 278.356 -0.056 20 0 CBADLP O=C(NC[C@H]1CC[N@H+](CCO)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001028606845 799153710 /nfs/dbraw/zinc/15/37/10/799153710.db2.gz CQLVPMJGEMWELZ-IJLUTSLNSA-N 2 2 278.356 -0.056 20 0 CBADLP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CC[NH+](Cc3cnon3)C2)C1 ZINC001028987597 799183810 /nfs/dbraw/zinc/18/38/10/799183810.db2.gz ZCZZUKQXZZBCMA-RYUDHWBXSA-N 2 2 293.371 -0.041 20 0 CBADLP C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CC[NH+](Cc3cnon3)C2)C1 ZINC001028987597 799183813 /nfs/dbraw/zinc/18/38/13/799183813.db2.gz ZCZZUKQXZZBCMA-RYUDHWBXSA-N 2 2 293.371 -0.041 20 0 CBADLP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CC[N@H+](Cc3cnon3)C2)C1 ZINC001028987597 799183815 /nfs/dbraw/zinc/18/38/15/799183815.db2.gz ZCZZUKQXZZBCMA-RYUDHWBXSA-N 2 2 293.371 -0.041 20 0 CBADLP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CC[N@@H+](Cc3cnon3)C2)C1 ZINC001028987597 799183817 /nfs/dbraw/zinc/18/38/17/799183817.db2.gz ZCZZUKQXZZBCMA-RYUDHWBXSA-N 2 2 293.371 -0.041 20 0 CBADLP CC[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NC)[NH+](C)C ZINC001029356299 799196554 /nfs/dbraw/zinc/19/65/54/799196554.db2.gz JKRDKCVRFWYTGH-FRRDWIJNSA-N 2 2 296.415 -0.252 20 0 CBADLP CC[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NC)[NH+](C)C ZINC001029356299 799196556 /nfs/dbraw/zinc/19/65/56/799196556.db2.gz JKRDKCVRFWYTGH-FRRDWIJNSA-N 2 2 296.415 -0.252 20 0 CBADLP CC[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)C(N)=O)[NH+](C)C ZINC001029477486 799201157 /nfs/dbraw/zinc/20/11/57/799201157.db2.gz FZGRYHPWKVTTBV-RVMXOQNASA-N 2 2 296.415 -0.124 20 0 CBADLP CC[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(N)=O)[NH+](C)C ZINC001029477486 799201161 /nfs/dbraw/zinc/20/11/61/799201161.db2.gz FZGRYHPWKVTTBV-RVMXOQNASA-N 2 2 296.415 -0.124 20 0 CBADLP COC[C@H](C)[NH+]1CC(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001030160074 799251410 /nfs/dbraw/zinc/25/14/10/799251410.db2.gz AFMNAULKBMFMPN-JQWIXIFHSA-N 2 2 255.362 -0.084 20 0 CBADLP COC[C@H](C)[NH+]1CC(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001030160074 799251411 /nfs/dbraw/zinc/25/14/11/799251411.db2.gz AFMNAULKBMFMPN-JQWIXIFHSA-N 2 2 255.362 -0.084 20 0 CBADLP CO[C@@H](C)C[NH+]1CC(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001030162645 799253397 /nfs/dbraw/zinc/25/33/97/799253397.db2.gz XSKFTRUXSXYVND-JQWIXIFHSA-N 2 2 255.362 -0.084 20 0 CBADLP CO[C@@H](C)C[NH+]1CC(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001030162645 799253400 /nfs/dbraw/zinc/25/34/00/799253400.db2.gz XSKFTRUXSXYVND-JQWIXIFHSA-N 2 2 255.362 -0.084 20 0 CBADLP C[C@H](O)C[NH+]1CC(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001030323401 799297097 /nfs/dbraw/zinc/29/70/97/799297097.db2.gz LRKBYKWQGXKSQA-GWCFXTLKSA-N 2 2 267.373 -0.491 20 0 CBADLP CC[NH+]1CC(NC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001030347950 799301045 /nfs/dbraw/zinc/30/10/45/799301045.db2.gz QDXDPFDDZVJOPB-RYUDHWBXSA-N 2 2 253.346 -0.330 20 0 CBADLP CC[NH+]1CC(NC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001030347950 799301055 /nfs/dbraw/zinc/30/10/55/799301055.db2.gz QDXDPFDDZVJOPB-RYUDHWBXSA-N 2 2 253.346 -0.330 20 0 CBADLP C[C@@H](O)C[NH+]1CC(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001030891676 799405670 /nfs/dbraw/zinc/40/56/70/799405670.db2.gz JZYSEBPAKAQOST-SNVBAGLBSA-N 2 2 255.362 -0.491 20 0 CBADLP C[C@@H](O)C[NH+]1CC(NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001030956166 799415092 /nfs/dbraw/zinc/41/50/92/799415092.db2.gz UNDDTVKZALAPNJ-GHMZBOCLSA-N 2 2 255.362 -0.348 20 0 CBADLP C[C@@H](O)C[NH+]1CC(NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001030956166 799415094 /nfs/dbraw/zinc/41/50/94/799415094.db2.gz UNDDTVKZALAPNJ-GHMZBOCLSA-N 2 2 255.362 -0.348 20 0 CBADLP COCC[NH+]1CC(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001030960048 799417118 /nfs/dbraw/zinc/41/71/18/799417118.db2.gz HSIWXUXRWKXDRZ-JQWIXIFHSA-N 2 2 255.362 -0.369 20 0 CBADLP COCC[NH+]1CC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001030960048 799417121 /nfs/dbraw/zinc/41/71/21/799417121.db2.gz HSIWXUXRWKXDRZ-JQWIXIFHSA-N 2 2 255.362 -0.369 20 0 CBADLP C[NH+]1CCC(CC(=O)NC2C[NH+](CCCO)C2)CC1 ZINC001031052003 799433528 /nfs/dbraw/zinc/43/35/28/799433528.db2.gz ABRXTNKAOHDDNK-UHFFFAOYSA-N 2 2 269.389 -0.099 20 0 CBADLP C[NH+](C)CCn1cc(C(=O)NC2C[NH+](CCCO)C2)cn1 ZINC001031085824 799436786 /nfs/dbraw/zinc/43/67/86/799436786.db2.gz YEXJUKYQNCFSFY-UHFFFAOYSA-N 2 2 295.387 -0.759 20 0 CBADLP CO[C@@H](C)C[NH+]1CC(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001031265933 799466626 /nfs/dbraw/zinc/46/66/26/799466626.db2.gz LOVLPBXPZDQBMR-NSHDSACASA-N 2 2 267.373 -0.083 20 0 CBADLP COC[C@@H](C)[NH+]1CC(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001031385147 799481031 /nfs/dbraw/zinc/48/10/31/799481031.db2.gz VWDDGKOARXPQEB-GHMZBOCLSA-N 2 2 255.362 -0.227 20 0 CBADLP COC[C@@H](C)[NH+]1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001031385147 799481035 /nfs/dbraw/zinc/48/10/35/799481035.db2.gz VWDDGKOARXPQEB-GHMZBOCLSA-N 2 2 255.362 -0.227 20 0 CBADLP COC[C@H](C)[NH+]1CC(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001031385149 799481083 /nfs/dbraw/zinc/48/10/83/799481083.db2.gz VWDDGKOARXPQEB-QWRGUYRKSA-N 2 2 255.362 -0.227 20 0 CBADLP COC[C@H](C)[NH+]1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001031385149 799481088 /nfs/dbraw/zinc/48/10/88/799481088.db2.gz VWDDGKOARXPQEB-QWRGUYRKSA-N 2 2 255.362 -0.227 20 0 CBADLP COC[C@H](C)[NH+]1CC(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001031385150 799481343 /nfs/dbraw/zinc/48/13/43/799481343.db2.gz VWDDGKOARXPQEB-WDEREUQCSA-N 2 2 255.362 -0.227 20 0 CBADLP COC[C@H](C)[NH+]1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001031385150 799481345 /nfs/dbraw/zinc/48/13/45/799481345.db2.gz VWDDGKOARXPQEB-WDEREUQCSA-N 2 2 255.362 -0.227 20 0 CBADLP CO[C@@H](C)C[NH+]1CC(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001031386078 799482369 /nfs/dbraw/zinc/48/23/69/799482369.db2.gz WXJUBNQRPGWLMY-WDEREUQCSA-N 2 2 255.362 -0.227 20 0 CBADLP CO[C@@H](C)C[NH+]1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001031386078 799482372 /nfs/dbraw/zinc/48/23/72/799482372.db2.gz WXJUBNQRPGWLMY-WDEREUQCSA-N 2 2 255.362 -0.227 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC(=O)N2CCC2)C1 ZINC001031576851 799511118 /nfs/dbraw/zinc/51/11/18/799511118.db2.gz FVJRJRKKBZUFCW-ZDUSSCGKSA-N 2 2 294.399 -0.639 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC(=O)N2CCC2)C1 ZINC001031576851 799511123 /nfs/dbraw/zinc/51/11/23/799511123.db2.gz FVJRJRKKBZUFCW-ZDUSSCGKSA-N 2 2 294.399 -0.639 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001031578450 799512779 /nfs/dbraw/zinc/51/27/79/799512779.db2.gz YEEMHGYKBHFEJP-GXSJLCMTSA-N 2 2 268.361 -0.998 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001031578450 799512780 /nfs/dbraw/zinc/51/27/80/799512780.db2.gz YEEMHGYKBHFEJP-GXSJLCMTSA-N 2 2 268.361 -0.998 20 0 CBADLP CNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001031585440 799513555 /nfs/dbraw/zinc/51/35/55/799513555.db2.gz XQPVSLHIWRLDCY-ZYHUDNBSSA-N 2 2 282.388 -0.737 20 0 CBADLP CNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001031585440 799513558 /nfs/dbraw/zinc/51/35/58/799513558.db2.gz XQPVSLHIWRLDCY-ZYHUDNBSSA-N 2 2 282.388 -0.737 20 0 CBADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+]([C@H](C)C(N)=O)C1 ZINC001031665656 799530071 /nfs/dbraw/zinc/53/00/71/799530071.db2.gz CVJTWDGJLTYXAP-DGCLKSJQSA-N 2 2 296.415 -0.219 20 0 CBADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+]([C@H](C)C(N)=O)C1 ZINC001031665656 799530074 /nfs/dbraw/zinc/53/00/74/799530074.db2.gz CVJTWDGJLTYXAP-DGCLKSJQSA-N 2 2 296.415 -0.219 20 0 CBADLP C[C@@H]1[C@H](C(=O)NCC2C[NH+](CC(=O)N(C)C)C2)CC[N@@H+]1C ZINC001031681614 799531685 /nfs/dbraw/zinc/53/16/85/799531685.db2.gz AZXGHIREQBDCSS-DGCLKSJQSA-N 2 2 296.415 -0.537 20 0 CBADLP C[C@@H]1[C@H](C(=O)NCC2C[NH+](CC(=O)N(C)C)C2)CC[N@H+]1C ZINC001031681614 799531689 /nfs/dbraw/zinc/53/16/89/799531689.db2.gz AZXGHIREQBDCSS-DGCLKSJQSA-N 2 2 296.415 -0.537 20 0 CBADLP O=C(NCC1C[NH+](CCF)C1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001031688685 799534096 /nfs/dbraw/zinc/53/40/96/799534096.db2.gz IXRGAASRMJFQSI-CHWSQXEVSA-N 2 2 285.363 -0.133 20 0 CBADLP O=C(NCC1C[NH+](CCF)C1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001031688685 799534098 /nfs/dbraw/zinc/53/40/98/799534098.db2.gz IXRGAASRMJFQSI-CHWSQXEVSA-N 2 2 285.363 -0.133 20 0 CBADLP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC(=O)NC)C1 ZINC001031712231 799537043 /nfs/dbraw/zinc/53/70/43/799537043.db2.gz SZBQMHDXHUHTDA-ZDUSSCGKSA-N 2 2 296.415 -0.345 20 0 CBADLP CCC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC(=O)NC)C1 ZINC001031712231 799537045 /nfs/dbraw/zinc/53/70/45/799537045.db2.gz SZBQMHDXHUHTDA-ZDUSSCGKSA-N 2 2 296.415 -0.345 20 0 CBADLP CNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001031776398 799542681 /nfs/dbraw/zinc/54/26/81/799542681.db2.gz JPVUCBODMXDNJO-DGCLKSJQSA-N 2 2 296.415 -0.347 20 0 CBADLP CNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001031776398 799542683 /nfs/dbraw/zinc/54/26/83/799542683.db2.gz JPVUCBODMXDNJO-DGCLKSJQSA-N 2 2 296.415 -0.347 20 0 CBADLP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001031801302 799545869 /nfs/dbraw/zinc/54/58/69/799545869.db2.gz BFTYWLKMGBJSRJ-ZDUSSCGKSA-N 2 2 296.415 -0.360 20 0 CBADLP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001031801302 799545871 /nfs/dbraw/zinc/54/58/71/799545871.db2.gz BFTYWLKMGBJSRJ-ZDUSSCGKSA-N 2 2 296.415 -0.360 20 0 CBADLP CNC(=O)C[NH+]1CC(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001031813699 799548145 /nfs/dbraw/zinc/54/81/45/799548145.db2.gz ZODCFBJDJBPEGW-UHFFFAOYSA-N 2 2 294.399 -0.591 20 0 CBADLP O=C(NCC1C[NH+](CCF)C1)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001031856822 799551982 /nfs/dbraw/zinc/55/19/82/799551982.db2.gz JIQAKQOCYKTJAD-QRJNDHJOSA-N 2 2 297.374 -0.133 20 0 CBADLP O=C(NCC1C[NH+](CCF)C1)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001031856822 799551984 /nfs/dbraw/zinc/55/19/84/799551984.db2.gz JIQAKQOCYKTJAD-QRJNDHJOSA-N 2 2 297.374 -0.133 20 0 CBADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001032205590 799593255 /nfs/dbraw/zinc/59/32/55/799593255.db2.gz CIICXPBRYDYODC-GFCCVEGCSA-N 2 2 282.388 -0.606 20 0 CBADLP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001032205590 799593258 /nfs/dbraw/zinc/59/32/58/799593258.db2.gz CIICXPBRYDYODC-GFCCVEGCSA-N 2 2 282.388 -0.606 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC2C[NH+](CCF)C2)C1 ZINC001032202370 799593733 /nfs/dbraw/zinc/59/37/33/799593733.db2.gz RFHRQCVVQKALQB-GFCCVEGCSA-N 2 2 273.352 -0.275 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)NCC2C[NH+](CCF)C2)C1 ZINC001032202370 799593736 /nfs/dbraw/zinc/59/37/36/799593736.db2.gz RFHRQCVVQKALQB-GFCCVEGCSA-N 2 2 273.352 -0.275 20 0 CBADLP CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001032331907 799615174 /nfs/dbraw/zinc/61/51/74/799615174.db2.gz MIWKOCICBZODGS-SRVKXCTJSA-N 2 2 253.346 -0.378 20 0 CBADLP CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001032331907 799615176 /nfs/dbraw/zinc/61/51/76/799615176.db2.gz MIWKOCICBZODGS-SRVKXCTJSA-N 2 2 253.346 -0.378 20 0 CBADLP CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001032331907 799615180 /nfs/dbraw/zinc/61/51/80/799615180.db2.gz MIWKOCICBZODGS-SRVKXCTJSA-N 2 2 253.346 -0.378 20 0 CBADLP CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001032331907 799615182 /nfs/dbraw/zinc/61/51/82/799615182.db2.gz MIWKOCICBZODGS-SRVKXCTJSA-N 2 2 253.346 -0.378 20 0 CBADLP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCO ZINC001032479525 799632660 /nfs/dbraw/zinc/63/26/60/799632660.db2.gz NWJGXPFFLWALSG-RWMBFGLXSA-N 2 2 267.373 -0.252 20 0 CBADLP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCO ZINC001032479525 799632664 /nfs/dbraw/zinc/63/26/64/799632664.db2.gz NWJGXPFFLWALSG-RWMBFGLXSA-N 2 2 267.373 -0.252 20 0 CBADLP C[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCO ZINC001032479525 799632668 /nfs/dbraw/zinc/63/26/68/799632668.db2.gz NWJGXPFFLWALSG-RWMBFGLXSA-N 2 2 267.373 -0.252 20 0 CBADLP C[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCO ZINC001032479525 799632671 /nfs/dbraw/zinc/63/26/71/799632671.db2.gz NWJGXPFFLWALSG-RWMBFGLXSA-N 2 2 267.373 -0.252 20 0 CBADLP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCO ZINC001032479524 799633116 /nfs/dbraw/zinc/63/31/16/799633116.db2.gz NWJGXPFFLWALSG-AVGNSLFASA-N 2 2 267.373 -0.252 20 0 CBADLP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCO ZINC001032479524 799633121 /nfs/dbraw/zinc/63/31/21/799633121.db2.gz NWJGXPFFLWALSG-AVGNSLFASA-N 2 2 267.373 -0.252 20 0 CBADLP C[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCO ZINC001032479524 799633124 /nfs/dbraw/zinc/63/31/24/799633124.db2.gz NWJGXPFFLWALSG-AVGNSLFASA-N 2 2 267.373 -0.252 20 0 CBADLP C[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCO ZINC001032479524 799633128 /nfs/dbraw/zinc/63/31/28/799633128.db2.gz NWJGXPFFLWALSG-AVGNSLFASA-N 2 2 267.373 -0.252 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001032829753 799673822 /nfs/dbraw/zinc/67/38/22/799673822.db2.gz GTCMUQYDWMMZGA-AVGNSLFASA-N 2 2 296.415 -0.204 20 0 CBADLP CNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001032829753 799673827 /nfs/dbraw/zinc/67/38/27/799673827.db2.gz GTCMUQYDWMMZGA-AVGNSLFASA-N 2 2 296.415 -0.204 20 0 CBADLP CNC(=O)[C@H](C)[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001032829753 799673830 /nfs/dbraw/zinc/67/38/30/799673830.db2.gz GTCMUQYDWMMZGA-AVGNSLFASA-N 2 2 296.415 -0.204 20 0 CBADLP CNC(=O)[C@H](C)[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001032829753 799673834 /nfs/dbraw/zinc/67/38/34/799673834.db2.gz GTCMUQYDWMMZGA-AVGNSLFASA-N 2 2 296.415 -0.204 20 0 CBADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+]([C@@H]2CCNC2=O)C1 ZINC001032829741 799674505 /nfs/dbraw/zinc/67/45/05/799674505.db2.gz DEEMBFYYFBEIAT-RWMBFGLXSA-N 2 2 294.399 -0.450 20 0 CBADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+]([C@@H]2CCNC2=O)C1 ZINC001032829741 799674513 /nfs/dbraw/zinc/67/45/13/799674513.db2.gz DEEMBFYYFBEIAT-RWMBFGLXSA-N 2 2 294.399 -0.450 20 0 CBADLP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001032829741 799674519 /nfs/dbraw/zinc/67/45/19/799674519.db2.gz DEEMBFYYFBEIAT-RWMBFGLXSA-N 2 2 294.399 -0.450 20 0 CBADLP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001032829741 799674523 /nfs/dbraw/zinc/67/45/23/799674523.db2.gz DEEMBFYYFBEIAT-RWMBFGLXSA-N 2 2 294.399 -0.450 20 0 CBADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+]([C@H]2CCNC2=O)C1 ZINC001032829740 799674838 /nfs/dbraw/zinc/67/48/38/799674838.db2.gz DEEMBFYYFBEIAT-AVGNSLFASA-N 2 2 294.399 -0.450 20 0 CBADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+]([C@H]2CCNC2=O)C1 ZINC001032829740 799674841 /nfs/dbraw/zinc/67/48/41/799674841.db2.gz DEEMBFYYFBEIAT-AVGNSLFASA-N 2 2 294.399 -0.450 20 0 CBADLP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001032829740 799674845 /nfs/dbraw/zinc/67/48/45/799674845.db2.gz DEEMBFYYFBEIAT-AVGNSLFASA-N 2 2 294.399 -0.450 20 0 CBADLP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001032829740 799674848 /nfs/dbraw/zinc/67/48/48/799674848.db2.gz DEEMBFYYFBEIAT-AVGNSLFASA-N 2 2 294.399 -0.450 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001032839649 799677279 /nfs/dbraw/zinc/67/72/79/799677279.db2.gz VJDXVQMDZBBDHE-UTUOFQBUSA-N 2 2 282.388 -0.465 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001032839649 799677281 /nfs/dbraw/zinc/67/72/81/799677281.db2.gz VJDXVQMDZBBDHE-UTUOFQBUSA-N 2 2 282.388 -0.465 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001032839649 799677285 /nfs/dbraw/zinc/67/72/85/799677285.db2.gz VJDXVQMDZBBDHE-UTUOFQBUSA-N 2 2 282.388 -0.465 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001032839649 799677288 /nfs/dbraw/zinc/67/72/88/799677288.db2.gz VJDXVQMDZBBDHE-UTUOFQBUSA-N 2 2 282.388 -0.465 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001032839739 799678392 /nfs/dbraw/zinc/67/83/92/799678392.db2.gz JNEZBMKTDTWULS-AGIUHOORSA-N 2 2 296.415 -0.075 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001032839739 799678394 /nfs/dbraw/zinc/67/83/94/799678394.db2.gz JNEZBMKTDTWULS-AGIUHOORSA-N 2 2 296.415 -0.075 20 0 CBADLP CC[C@@H](C(N)=O)[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001032839739 799678398 /nfs/dbraw/zinc/67/83/98/799678398.db2.gz JNEZBMKTDTWULS-AGIUHOORSA-N 2 2 296.415 -0.075 20 0 CBADLP CC[C@@H](C(N)=O)[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001032839739 799678401 /nfs/dbraw/zinc/67/84/01/799678401.db2.gz JNEZBMKTDTWULS-AGIUHOORSA-N 2 2 296.415 -0.075 20 0 CBADLP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CC(N)=O)C1 ZINC001033127587 799717572 /nfs/dbraw/zinc/71/75/72/799717572.db2.gz WGKAUYQCMJYPQQ-STQMWFEESA-N 2 2 296.415 -0.121 20 0 CBADLP CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CC(N)=O)C1 ZINC001033127587 799717577 /nfs/dbraw/zinc/71/75/77/799717577.db2.gz WGKAUYQCMJYPQQ-STQMWFEESA-N 2 2 296.415 -0.121 20 0 CBADLP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033127587 799717582 /nfs/dbraw/zinc/71/75/82/799717582.db2.gz WGKAUYQCMJYPQQ-STQMWFEESA-N 2 2 296.415 -0.121 20 0 CBADLP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033127587 799717584 /nfs/dbraw/zinc/71/75/84/799717584.db2.gz WGKAUYQCMJYPQQ-STQMWFEESA-N 2 2 296.415 -0.121 20 0 CBADLP CN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033199777 799725482 /nfs/dbraw/zinc/72/54/82/799725482.db2.gz YFWSHAXPOLVFLF-NEPJUHHUSA-N 2 2 282.388 -0.511 20 0 CBADLP CN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033199777 799725487 /nfs/dbraw/zinc/72/54/87/799725487.db2.gz YFWSHAXPOLVFLF-NEPJUHHUSA-N 2 2 282.388 -0.511 20 0 CBADLP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001033199777 799725493 /nfs/dbraw/zinc/72/54/93/799725493.db2.gz YFWSHAXPOLVFLF-NEPJUHHUSA-N 2 2 282.388 -0.511 20 0 CBADLP CN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001033199777 799725499 /nfs/dbraw/zinc/72/54/99/799725499.db2.gz YFWSHAXPOLVFLF-NEPJUHHUSA-N 2 2 282.388 -0.511 20 0 CBADLP CN(C(=O)[C@H]1CCc2c[nH+]cn2C1)[C@@H]1CC[N@H+](CCO)C1 ZINC001033204638 799725880 /nfs/dbraw/zinc/72/58/80/799725880.db2.gz ZTFUCPASGVZSIJ-GXTWGEPZSA-N 2 2 292.383 -0.030 20 0 CBADLP CN(C(=O)[C@H]1CCc2c[nH+]cn2C1)[C@@H]1CC[N@@H+](CCO)C1 ZINC001033204638 799725884 /nfs/dbraw/zinc/72/58/84/799725884.db2.gz ZTFUCPASGVZSIJ-GXTWGEPZSA-N 2 2 292.383 -0.030 20 0 CBADLP CN(C(=O)[C@H]1CCc2[nH+]ccn2C1)[C@@H]1CC[N@H+](CCO)C1 ZINC001033205395 799725981 /nfs/dbraw/zinc/72/59/81/799725981.db2.gz FROIEPJVPOHKBA-QWHCGFSZSA-N 2 2 292.383 -0.030 20 0 CBADLP CN(C(=O)[C@H]1CCc2[nH+]ccn2C1)[C@@H]1CC[N@@H+](CCO)C1 ZINC001033205395 799725986 /nfs/dbraw/zinc/72/59/86/799725986.db2.gz FROIEPJVPOHKBA-QWHCGFSZSA-N 2 2 292.383 -0.030 20 0 CBADLP CN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)[C@H]1CC[N@H+](CCO)C1 ZINC001033213330 799728305 /nfs/dbraw/zinc/72/83/05/799728305.db2.gz ZUVYXAJKEWLHNK-OLZOCXBDSA-N 2 2 292.383 -0.030 20 0 CBADLP CN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)[C@H]1CC[N@@H+](CCO)C1 ZINC001033213330 799728309 /nfs/dbraw/zinc/72/83/09/799728309.db2.gz ZUVYXAJKEWLHNK-OLZOCXBDSA-N 2 2 292.383 -0.030 20 0 CBADLP C[C@H]1C[C@@H](C(=O)N(C)[C@H]2CC[NH+](CC(N)=O)C2)CC[N@@H+]1C ZINC001033358659 799742669 /nfs/dbraw/zinc/74/26/69/799742669.db2.gz OJJDUABYJODWHI-AVGNSLFASA-N 2 2 296.415 -0.265 20 0 CBADLP C[C@H]1C[C@@H](C(=O)N(C)[C@H]2CC[NH+](CC(N)=O)C2)CC[N@H+]1C ZINC001033358659 799742672 /nfs/dbraw/zinc/74/26/72/799742672.db2.gz OJJDUABYJODWHI-AVGNSLFASA-N 2 2 296.415 -0.265 20 0 CBADLP C[C@H]1C[C@@H](C(=O)N(C)[C@H]2CC[N@H+](CC(N)=O)C2)CC[NH+]1C ZINC001033358659 799742677 /nfs/dbraw/zinc/74/26/77/799742677.db2.gz OJJDUABYJODWHI-AVGNSLFASA-N 2 2 296.415 -0.265 20 0 CBADLP C[C@H]1C[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](CC(N)=O)C2)CC[NH+]1C ZINC001033358659 799742681 /nfs/dbraw/zinc/74/26/81/799742681.db2.gz OJJDUABYJODWHI-AVGNSLFASA-N 2 2 296.415 -0.265 20 0 CBADLP C[C@H](O)C[N@@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001033592071 799769608 /nfs/dbraw/zinc/76/96/08/799769608.db2.gz XWLXHMNYDNROSA-RYUDHWBXSA-N 2 2 280.372 -0.124 20 0 CBADLP C[C@H](O)C[N@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001033592071 799769614 /nfs/dbraw/zinc/76/96/14/799769614.db2.gz XWLXHMNYDNROSA-RYUDHWBXSA-N 2 2 280.372 -0.124 20 0 CBADLP CN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033657277 799775176 /nfs/dbraw/zinc/77/51/76/799775176.db2.gz IQGCMAYMVXTDDV-LLVKDONJSA-N 2 2 268.361 -0.900 20 0 CBADLP CN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033657277 799775182 /nfs/dbraw/zinc/77/51/82/799775182.db2.gz IQGCMAYMVXTDDV-LLVKDONJSA-N 2 2 268.361 -0.900 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033659510 799777632 /nfs/dbraw/zinc/77/76/32/799777632.db2.gz YAFCPYDDKWGCCC-RYUDHWBXSA-N 2 2 282.388 -0.511 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033659510 799777636 /nfs/dbraw/zinc/77/76/36/799777636.db2.gz YAFCPYDDKWGCCC-RYUDHWBXSA-N 2 2 282.388 -0.511 20 0 CBADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CC[N@H+](CCOC)C1 ZINC001033788642 799789304 /nfs/dbraw/zinc/78/93/04/799789304.db2.gz JGRNMRYQPCTRGL-KGLIPLIRSA-N 2 2 299.415 -0.114 20 0 CBADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CC[N@@H+](CCOC)C1 ZINC001033788642 799789310 /nfs/dbraw/zinc/78/93/10/799789310.db2.gz JGRNMRYQPCTRGL-KGLIPLIRSA-N 2 2 299.415 -0.114 20 0 CBADLP CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@@H]1CC[NH+](CCOC)C1 ZINC001033788642 799789316 /nfs/dbraw/zinc/78/93/16/799789316.db2.gz JGRNMRYQPCTRGL-KGLIPLIRSA-N 2 2 299.415 -0.114 20 0 CBADLP CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@@H]1CC[NH+](CCOC)C1 ZINC001033788642 799789319 /nfs/dbraw/zinc/78/93/19/799789319.db2.gz JGRNMRYQPCTRGL-KGLIPLIRSA-N 2 2 299.415 -0.114 20 0 CBADLP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](CC(=O)NC)C1 ZINC001033775792 799790993 /nfs/dbraw/zinc/79/09/93/799790993.db2.gz MYUWSPDMWYYXOD-CHWSQXEVSA-N 2 2 296.415 -0.251 20 0 CBADLP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001033775792 799790997 /nfs/dbraw/zinc/79/09/97/799790997.db2.gz MYUWSPDMWYYXOD-CHWSQXEVSA-N 2 2 296.415 -0.251 20 0 CBADLP CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](CC(=O)NC)C1 ZINC001033775792 799791001 /nfs/dbraw/zinc/79/10/01/799791001.db2.gz MYUWSPDMWYYXOD-CHWSQXEVSA-N 2 2 296.415 -0.251 20 0 CBADLP CCN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](CC(=O)NC)C1 ZINC001033775792 799791005 /nfs/dbraw/zinc/79/10/05/799791005.db2.gz MYUWSPDMWYYXOD-CHWSQXEVSA-N 2 2 296.415 -0.251 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[NH+](CCO)C2)C1 ZINC001034149207 799814796 /nfs/dbraw/zinc/81/47/96/799814796.db2.gz TXQNVJDXGMZYSU-CHWSQXEVSA-N 2 2 285.388 -0.720 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[NH+](CCO)C2)C1 ZINC001034149207 799814803 /nfs/dbraw/zinc/81/48/03/799814803.db2.gz TXQNVJDXGMZYSU-CHWSQXEVSA-N 2 2 285.388 -0.720 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[N@H+](CCO)C2)C1 ZINC001034149207 799814807 /nfs/dbraw/zinc/81/48/07/799814807.db2.gz TXQNVJDXGMZYSU-CHWSQXEVSA-N 2 2 285.388 -0.720 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[N@@H+](CCO)C2)C1 ZINC001034149207 799814814 /nfs/dbraw/zinc/81/48/14/799814814.db2.gz TXQNVJDXGMZYSU-CHWSQXEVSA-N 2 2 285.388 -0.720 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CC(N)=O)C1 ZINC001034140139 799815416 /nfs/dbraw/zinc/81/54/16/799815416.db2.gz XQVGMKPGTNPNME-NWDGAFQWSA-N 2 2 282.388 -0.463 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CC(N)=O)C1 ZINC001034140139 799815421 /nfs/dbraw/zinc/81/54/21/799815421.db2.gz XQVGMKPGTNPNME-NWDGAFQWSA-N 2 2 282.388 -0.463 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](CC(N)=O)C1 ZINC001034140139 799815426 /nfs/dbraw/zinc/81/54/26/799815426.db2.gz XQVGMKPGTNPNME-NWDGAFQWSA-N 2 2 282.388 -0.463 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](CC(N)=O)C1 ZINC001034140139 799815434 /nfs/dbraw/zinc/81/54/34/799815434.db2.gz XQVGMKPGTNPNME-NWDGAFQWSA-N 2 2 282.388 -0.463 20 0 CBADLP C[C@H]1CC[N@H+](CC(=O)N[C@H]2CCCC[NH+](CC(N)=O)C2)C1 ZINC001034394106 799834848 /nfs/dbraw/zinc/83/48/48/799834848.db2.gz JIJVZSAWIIJBIT-STQMWFEESA-N 2 2 296.415 -0.216 20 0 CBADLP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CCCC[NH+](CC(N)=O)C2)C1 ZINC001034394106 799834859 /nfs/dbraw/zinc/83/48/59/799834859.db2.gz JIJVZSAWIIJBIT-STQMWFEESA-N 2 2 296.415 -0.216 20 0 CBADLP C[C@H]1CC[NH+](CC(=O)N[C@H]2CCCC[N@H+](CC(N)=O)C2)C1 ZINC001034394106 799834863 /nfs/dbraw/zinc/83/48/63/799834863.db2.gz JIJVZSAWIIJBIT-STQMWFEESA-N 2 2 296.415 -0.216 20 0 CBADLP C[C@H]1CC[NH+](CC(=O)N[C@H]2CCCC[N@@H+](CC(N)=O)C2)C1 ZINC001034394106 799834869 /nfs/dbraw/zinc/83/48/69/799834869.db2.gz JIJVZSAWIIJBIT-STQMWFEESA-N 2 2 296.415 -0.216 20 0 CBADLP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[NH+](CCO)CCO1 ZINC001035418288 799917645 /nfs/dbraw/zinc/91/76/45/799917645.db2.gz WZPBCQQKXVSWMS-QWHCGFSZSA-N 2 2 285.388 -0.720 20 0 CBADLP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[NH+](CCO)CCO1 ZINC001035418288 799917650 /nfs/dbraw/zinc/91/76/50/799917650.db2.gz WZPBCQQKXVSWMS-QWHCGFSZSA-N 2 2 285.388 -0.720 20 0 CBADLP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001035418288 799917652 /nfs/dbraw/zinc/91/76/52/799917652.db2.gz WZPBCQQKXVSWMS-QWHCGFSZSA-N 2 2 285.388 -0.720 20 0 CBADLP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001035418288 799917658 /nfs/dbraw/zinc/91/76/58/799917658.db2.gz WZPBCQQKXVSWMS-QWHCGFSZSA-N 2 2 285.388 -0.720 20 0 CBADLP CC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001035481297 799931882 /nfs/dbraw/zinc/93/18/82/799931882.db2.gz GDPLAZYHPGETEQ-ZIAGYGMSSA-N 2 2 299.415 -0.068 20 0 CBADLP CC[N@H+]1CCO[C@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001035481297 799931887 /nfs/dbraw/zinc/93/18/87/799931887.db2.gz GDPLAZYHPGETEQ-ZIAGYGMSSA-N 2 2 299.415 -0.068 20 0 CBADLP CC[NH+]1CCO[C@H](CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001035481297 799931892 /nfs/dbraw/zinc/93/18/92/799931892.db2.gz GDPLAZYHPGETEQ-ZIAGYGMSSA-N 2 2 299.415 -0.068 20 0 CBADLP CC[NH+]1CCO[C@H](CNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001035481297 799931894 /nfs/dbraw/zinc/93/18/94/799931894.db2.gz GDPLAZYHPGETEQ-ZIAGYGMSSA-N 2 2 299.415 -0.068 20 0 CBADLP C[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CCO)CCO2)CC1 ZINC001035502133 799933295 /nfs/dbraw/zinc/93/32/95/799933295.db2.gz KZWCKUIANRXEPC-CYBMUJFWSA-N 2 2 285.388 -0.863 20 0 CBADLP C[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](CCO)CCO2)CC1 ZINC001035502133 799933301 /nfs/dbraw/zinc/93/33/01/799933301.db2.gz KZWCKUIANRXEPC-CYBMUJFWSA-N 2 2 285.388 -0.863 20 0 CBADLP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCO)CCO1 ZINC001035607918 799950885 /nfs/dbraw/zinc/95/08/85/799950885.db2.gz BUAZKPFQNYUPFW-KGLIPLIRSA-N 2 2 299.415 -0.330 20 0 CBADLP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCO)CCO1 ZINC001035607918 799950890 /nfs/dbraw/zinc/95/08/90/799950890.db2.gz BUAZKPFQNYUPFW-KGLIPLIRSA-N 2 2 299.415 -0.330 20 0 CBADLP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001035607918 799950895 /nfs/dbraw/zinc/95/08/95/799950895.db2.gz BUAZKPFQNYUPFW-KGLIPLIRSA-N 2 2 299.415 -0.330 20 0 CBADLP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001035607918 799950900 /nfs/dbraw/zinc/95/09/00/799950900.db2.gz BUAZKPFQNYUPFW-KGLIPLIRSA-N 2 2 299.415 -0.330 20 0 CBADLP CCC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001035606829 799952231 /nfs/dbraw/zinc/95/22/31/799952231.db2.gz IZHBSSWLASEJGZ-KBPBESRZSA-N 2 2 299.415 -0.066 20 0 CBADLP CCC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001035606829 799952237 /nfs/dbraw/zinc/95/22/37/799952237.db2.gz IZHBSSWLASEJGZ-KBPBESRZSA-N 2 2 299.415 -0.066 20 0 CBADLP CCC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001035606829 799952247 /nfs/dbraw/zinc/95/22/47/799952247.db2.gz IZHBSSWLASEJGZ-KBPBESRZSA-N 2 2 299.415 -0.066 20 0 CBADLP CCC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001035606829 799952254 /nfs/dbraw/zinc/95/22/54/799952254.db2.gz IZHBSSWLASEJGZ-KBPBESRZSA-N 2 2 299.415 -0.066 20 0 CBADLP COCC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001035613333 799953672 /nfs/dbraw/zinc/95/36/72/799953672.db2.gz IPZBMPCMIJURKG-STQMWFEESA-N 2 2 285.388 -0.599 20 0 CBADLP COCC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001035613333 799953678 /nfs/dbraw/zinc/95/36/78/799953678.db2.gz IPZBMPCMIJURKG-STQMWFEESA-N 2 2 285.388 -0.599 20 0 CBADLP COCC[NH+]1CCO[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001035613333 799953686 /nfs/dbraw/zinc/95/36/86/799953686.db2.gz IPZBMPCMIJURKG-STQMWFEESA-N 2 2 285.388 -0.599 20 0 CBADLP COCC[NH+]1CCO[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001035613333 799953691 /nfs/dbraw/zinc/95/36/91/799953691.db2.gz IPZBMPCMIJURKG-STQMWFEESA-N 2 2 285.388 -0.599 20 0 CBADLP C[C@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@@H]1[NH2+]CC(N)=O ZINC001036122401 799977402 /nfs/dbraw/zinc/97/74/02/799977402.db2.gz DMGWBOXKAKQMKI-RYUDHWBXSA-N 2 2 293.371 -0.415 20 0 CBADLP CC[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@@H]1[NH2+]CC(N)=O ZINC001037941649 800025061 /nfs/dbraw/zinc/02/50/61/800025061.db2.gz GEBBREJMBYAXKR-MNOVXSKESA-N 2 2 293.371 -0.346 20 0 CBADLP CC[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@H]1[NH2+]CC(N)=O ZINC001037941651 800025140 /nfs/dbraw/zinc/02/51/40/800025140.db2.gz GEBBREJMBYAXKR-WDEREUQCSA-N 2 2 293.371 -0.346 20 0 CBADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[NH+]2CC(=O)N(C)C)CC[N@@H+]1C ZINC001038266799 800090033 /nfs/dbraw/zinc/09/00/33/800090033.db2.gz UXQCHDUSUVNFPV-FRRDWIJNSA-N 2 2 296.415 -0.395 20 0 CBADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[NH+]2CC(=O)N(C)C)CC[N@H+]1C ZINC001038266799 800090041 /nfs/dbraw/zinc/09/00/41/800090041.db2.gz UXQCHDUSUVNFPV-FRRDWIJNSA-N 2 2 296.415 -0.395 20 0 CBADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[N@@H+]2CC(=O)N(C)C)CC[NH+]1C ZINC001038266799 800090050 /nfs/dbraw/zinc/09/00/50/800090050.db2.gz UXQCHDUSUVNFPV-FRRDWIJNSA-N 2 2 296.415 -0.395 20 0 CBADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[N@H+]2CC(=O)N(C)C)CC[NH+]1C ZINC001038266799 800090059 /nfs/dbraw/zinc/09/00/59/800090059.db2.gz UXQCHDUSUVNFPV-FRRDWIJNSA-N 2 2 296.415 -0.395 20 0 CBADLP CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001038397943 800105925 /nfs/dbraw/zinc/10/59/25/800105925.db2.gz DRPCCJQYCZHJSO-GRYCIOLGSA-N 2 2 255.362 -0.084 20 0 CBADLP CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001038397943 800105931 /nfs/dbraw/zinc/10/59/31/800105931.db2.gz DRPCCJQYCZHJSO-GRYCIOLGSA-N 2 2 255.362 -0.084 20 0 CBADLP CC[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001038397943 800105939 /nfs/dbraw/zinc/10/59/39/800105939.db2.gz DRPCCJQYCZHJSO-GRYCIOLGSA-N 2 2 255.362 -0.084 20 0 CBADLP CC[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001038397943 800105943 /nfs/dbraw/zinc/10/59/43/800105943.db2.gz DRPCCJQYCZHJSO-GRYCIOLGSA-N 2 2 255.362 -0.084 20 0 CBADLP C[NH+](C)Cc1cc(C(=O)NC[C@@H]2CC[N@@H+]2CCCO)no1 ZINC001038443820 800111983 /nfs/dbraw/zinc/11/19/83/800111983.db2.gz XCGCTHWNXIIPTL-NSHDSACASA-N 2 2 296.371 -0.077 20 0 CBADLP C[NH+](C)Cc1cc(C(=O)NC[C@@H]2CC[N@H+]2CCCO)no1 ZINC001038443820 800111987 /nfs/dbraw/zinc/11/19/87/800111987.db2.gz XCGCTHWNXIIPTL-NSHDSACASA-N 2 2 296.371 -0.077 20 0 CBADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CC[NH+]2CCO)C1 ZINC001038627895 801229395 /nfs/dbraw/zinc/22/93/95/801229395.db2.gz MDKGNVBUEBLMSP-QWHCGFSZSA-N 2 2 285.388 -0.722 20 0 CBADLP CC(C)[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CC[NH+]2CCO)C1 ZINC001038627895 801229401 /nfs/dbraw/zinc/22/94/01/801229401.db2.gz MDKGNVBUEBLMSP-QWHCGFSZSA-N 2 2 285.388 -0.722 20 0 CBADLP CC(C)[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CC[N@@H+]2CCO)C1 ZINC001038627895 801229405 /nfs/dbraw/zinc/22/94/05/801229405.db2.gz MDKGNVBUEBLMSP-QWHCGFSZSA-N 2 2 285.388 -0.722 20 0 CBADLP CC(C)[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CC[N@H+]2CCO)C1 ZINC001038627895 801229410 /nfs/dbraw/zinc/22/94/10/801229410.db2.gz MDKGNVBUEBLMSP-QWHCGFSZSA-N 2 2 285.388 -0.722 20 0 CBADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1CCO)C2 ZINC001038697384 801237734 /nfs/dbraw/zinc/23/77/34/801237734.db2.gz WVGDSLJYJKBKAR-OLZOCXBDSA-N 2 2 292.383 -0.063 20 0 CBADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)NC[C@@H]1CC[N@H+]1CCO)C2 ZINC001038697384 801237737 /nfs/dbraw/zinc/23/77/37/801237737.db2.gz WVGDSLJYJKBKAR-OLZOCXBDSA-N 2 2 292.383 -0.063 20 0 CBADLP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CC[NH+]2CC(=O)N2CCC2)C1 ZINC001039020416 801279921 /nfs/dbraw/zinc/27/99/21/801279921.db2.gz ZGPAKTSYIWLFCL-CHWSQXEVSA-N 2 2 294.399 -0.639 20 0 CBADLP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CC[NH+]2CC(=O)N2CCC2)C1 ZINC001039020416 801279923 /nfs/dbraw/zinc/27/99/23/801279923.db2.gz ZGPAKTSYIWLFCL-CHWSQXEVSA-N 2 2 294.399 -0.639 20 0 CBADLP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CC[N@@H+]2CC(=O)N2CCC2)C1 ZINC001039020416 801279925 /nfs/dbraw/zinc/27/99/25/801279925.db2.gz ZGPAKTSYIWLFCL-CHWSQXEVSA-N 2 2 294.399 -0.639 20 0 CBADLP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CC[N@H+]2CC(=O)N2CCC2)C1 ZINC001039020416 801279927 /nfs/dbraw/zinc/27/99/27/801279927.db2.gz ZGPAKTSYIWLFCL-CHWSQXEVSA-N 2 2 294.399 -0.639 20 0 CBADLP CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1C[NH+](CC2CC2)C1 ZINC001042573021 801493883 /nfs/dbraw/zinc/49/38/83/801493883.db2.gz CWQADXGOMKULOD-ZDUSSCGKSA-N 2 2 267.373 -0.130 20 0 CBADLP CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1C[NH+](CC2CC2)C1 ZINC001042573021 801493887 /nfs/dbraw/zinc/49/38/87/801493887.db2.gz CWQADXGOMKULOD-ZDUSSCGKSA-N 2 2 267.373 -0.130 20 0 CBADLP CN(C(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1)C1C[NH+](CCO)C1 ZINC001042718778 801513093 /nfs/dbraw/zinc/51/30/93/801513093.db2.gz USUNQFOOJDOOHG-CHWSQXEVSA-N 2 2 281.400 -0.004 20 0 CBADLP CN(C(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1)C1C[NH+](CCO)C1 ZINC001042718778 801513100 /nfs/dbraw/zinc/51/31/00/801513100.db2.gz USUNQFOOJDOOHG-CHWSQXEVSA-N 2 2 281.400 -0.004 20 0 CBADLP COC[C@H](C)[NH+]1CC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001043066852 801538853 /nfs/dbraw/zinc/53/88/53/801538853.db2.gz HBBXJTXMPFCFKF-OUCADQQQSA-N 2 2 299.415 -0.117 20 0 CBADLP COC[C@H](C)[NH+]1CC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001043066852 801538860 /nfs/dbraw/zinc/53/88/60/801538860.db2.gz HBBXJTXMPFCFKF-OUCADQQQSA-N 2 2 299.415 -0.117 20 0 CBADLP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N(C)C1C[NH+](CCO)C1 ZINC001043883543 801600505 /nfs/dbraw/zinc/60/05/05/801600505.db2.gz YBAITYBHOOCHTH-CMPLNLGQSA-N 2 2 255.362 -0.681 20 0 CBADLP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)C1C[NH+](CCO)C1 ZINC001043883543 801600508 /nfs/dbraw/zinc/60/05/08/801600508.db2.gz YBAITYBHOOCHTH-CMPLNLGQSA-N 2 2 255.362 -0.681 20 0 CBADLP COCC[NH+]1CC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001043882777 801600569 /nfs/dbraw/zinc/60/05/69/801600569.db2.gz SZAXCDJAMMRRMT-AAEUAGOBSA-N 2 2 269.389 -0.027 20 0 CBADLP COCC[NH+]1CC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001043882777 801600570 /nfs/dbraw/zinc/60/05/70/801600570.db2.gz SZAXCDJAMMRRMT-AAEUAGOBSA-N 2 2 269.389 -0.027 20 0 CBADLP COCC[NH+]1CC(N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001044295278 801639244 /nfs/dbraw/zinc/63/92/44/801639244.db2.gz QDQBPXPYSWAPQB-UHFFFAOYSA-N 2 2 255.362 -0.129 20 0 CBADLP C[C@H]1C[C@@H]([NH2+]CCO)CCN1C(=O)Cc1c[nH+]cn1C ZINC001044819851 801672261 /nfs/dbraw/zinc/67/22/61/801672261.db2.gz NBWOVSBAZYJEOE-RYUDHWBXSA-N 2 2 280.372 -0.076 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]([NH2+]CC(N)=O)C[C@H]1C ZINC001044844121 801673740 /nfs/dbraw/zinc/67/37/40/801673740.db2.gz YPRJRMKCWHLVRO-MWLCHTKSSA-N 2 2 293.371 -0.285 20 0 CBADLP C[C@@H]1C[C@H]([NH2+]CC(N)=O)CCN1C(=O)Cn1cc[nH+]c1 ZINC001044878278 801674813 /nfs/dbraw/zinc/67/48/13/801674813.db2.gz LFQLXMPELBUCLN-GHMZBOCLSA-N 2 2 279.344 -0.663 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@H]1C[NH2+][C@@H]1CCNC1=O ZINC001045218609 801688614 /nfs/dbraw/zinc/68/86/14/801688614.db2.gz UKTMGGRLTYTMNI-NWDGAFQWSA-N 2 2 291.355 -0.579 20 0 CBADLP C[C@@H](O)C[NH+]1CCC(C)(NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001045398074 801695324 /nfs/dbraw/zinc/69/53/24/801695324.db2.gz TYUKWBZQNIBFJK-OLZOCXBDSA-N 2 2 299.415 -0.332 20 0 CBADLP C[C@@H](O)C[NH+]1CCC(C)(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001045398074 801695331 /nfs/dbraw/zinc/69/53/31/801695331.db2.gz TYUKWBZQNIBFJK-OLZOCXBDSA-N 2 2 299.415 -0.332 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CC(N)=O ZINC001045732701 801711387 /nfs/dbraw/zinc/71/13/87/801711387.db2.gz XXVSYTJZCHQWLQ-AGIUHOORSA-N 2 2 294.399 -0.369 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CC(N)=O ZINC001045732701 801711391 /nfs/dbraw/zinc/71/13/91/801711391.db2.gz XXVSYTJZCHQWLQ-AGIUHOORSA-N 2 2 294.399 -0.369 20 0 CBADLP C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC(N)=O ZINC001045732701 801711397 /nfs/dbraw/zinc/71/13/97/801711397.db2.gz XXVSYTJZCHQWLQ-AGIUHOORSA-N 2 2 294.399 -0.369 20 0 CBADLP C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC(N)=O ZINC001045732701 801711401 /nfs/dbraw/zinc/71/14/01/801711401.db2.gz XXVSYTJZCHQWLQ-AGIUHOORSA-N 2 2 294.399 -0.369 20 0 CBADLP C[NH+](C)Cc1cc(C(=O)N[C@@]2(C)CC[N@H+](CCO)C2)no1 ZINC001046433419 801762652 /nfs/dbraw/zinc/76/26/52/801762652.db2.gz WJPGJMMQDCEHSA-AWEZNQCLSA-N 2 2 296.371 -0.077 20 0 CBADLP C[NH+](C)Cc1cc(C(=O)N[C@@]2(C)CC[N@@H+](CCO)C2)no1 ZINC001046433419 801762655 /nfs/dbraw/zinc/76/26/55/801762655.db2.gz WJPGJMMQDCEHSA-AWEZNQCLSA-N 2 2 296.371 -0.077 20 0 CBADLP C[C@]1(NC(=O)C23CC[NH+](CC2)C3)CC[N@H+](CC(N)=O)C1 ZINC001046776639 801793636 /nfs/dbraw/zinc/79/36/36/801793636.db2.gz GWJJDUYBDFHRKD-ZDUSSCGKSA-N 2 2 280.372 -0.852 20 0 CBADLP C[C@]1(NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+](CC(N)=O)C1 ZINC001046776639 801793641 /nfs/dbraw/zinc/79/36/41/801793641.db2.gz GWJJDUYBDFHRKD-ZDUSSCGKSA-N 2 2 280.372 -0.852 20 0 CBADLP CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001047431906 801871259 /nfs/dbraw/zinc/87/12/59/801871259.db2.gz KDIRDRNDPAWADX-XBFCOCLRSA-N 2 2 292.383 -0.031 20 0 CBADLP CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001047431906 801871265 /nfs/dbraw/zinc/87/12/65/801871265.db2.gz KDIRDRNDPAWADX-XBFCOCLRSA-N 2 2 292.383 -0.031 20 0 CBADLP CN(C(=O)C[C@H]1CC[NH+](C)C1)[C@H]1C[N@H+](CCF)C[C@@H]1O ZINC001047596307 801907403 /nfs/dbraw/zinc/90/74/03/801907403.db2.gz QDQUMKSDRKOGLR-AGIUHOORSA-N 2 2 287.379 -0.199 20 0 CBADLP CN(C(=O)C[C@H]1CC[NH+](C)C1)[C@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001047596307 801907410 /nfs/dbraw/zinc/90/74/10/801907410.db2.gz QDQUMKSDRKOGLR-AGIUHOORSA-N 2 2 287.379 -0.199 20 0 CBADLP CN(C(=O)C[C@H]1CC[N@H+](C)C1)[C@H]1C[NH+](CCF)C[C@@H]1O ZINC001047596307 801907415 /nfs/dbraw/zinc/90/74/15/801907415.db2.gz QDQUMKSDRKOGLR-AGIUHOORSA-N 2 2 287.379 -0.199 20 0 CBADLP CN(C(=O)C[C@H]1CC[N@@H+](C)C1)[C@H]1C[NH+](CCF)C[C@@H]1O ZINC001047596307 801907421 /nfs/dbraw/zinc/90/74/21/801907421.db2.gz QDQUMKSDRKOGLR-AGIUHOORSA-N 2 2 287.379 -0.199 20 0 CBADLP COCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001047612150 801910902 /nfs/dbraw/zinc/91/09/02/801910902.db2.gz XADKBOFYECMRGR-STQMWFEESA-N 2 2 296.371 -0.589 20 0 CBADLP COCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001047612150 801910904 /nfs/dbraw/zinc/91/09/04/801910904.db2.gz XADKBOFYECMRGR-STQMWFEESA-N 2 2 296.371 -0.589 20 0 CBADLP CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001047611816 801912169 /nfs/dbraw/zinc/91/21/69/801912169.db2.gz KUDYNYHYCBBPOC-RYUDHWBXSA-N 2 2 266.345 -0.216 20 0 CBADLP CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001052970743 802227774 /nfs/dbraw/zinc/22/77/74/802227774.db2.gz WVCZMRIWGRWBPD-LBPRGKRZSA-N 2 2 293.371 -0.400 20 0 CBADLP CNC(=O)C[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001052970743 802227781 /nfs/dbraw/zinc/22/77/81/802227781.db2.gz WVCZMRIWGRWBPD-LBPRGKRZSA-N 2 2 293.371 -0.400 20 0 CBADLP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCC3(C[NH+](CCO)C3)O2)C1 ZINC001053698149 802275634 /nfs/dbraw/zinc/27/56/34/802275634.db2.gz DZHYKOAYIXKIOQ-QWHCGFSZSA-N 2 2 297.399 -0.720 20 0 CBADLP C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCC3(C[NH+](CCO)C3)O2)C1 ZINC001053698149 802275639 /nfs/dbraw/zinc/27/56/39/802275639.db2.gz DZHYKOAYIXKIOQ-QWHCGFSZSA-N 2 2 297.399 -0.720 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1COC2(C[NH+](CCCO)C2)C1 ZINC001053756458 802285899 /nfs/dbraw/zinc/28/58/99/802285899.db2.gz XFGGLBBPDWNTDT-STQMWFEESA-N 2 2 297.399 -0.578 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1COC2(C[NH+](CCCO)C2)C1 ZINC001053756458 802285905 /nfs/dbraw/zinc/28/59/05/802285905.db2.gz XFGGLBBPDWNTDT-STQMWFEESA-N 2 2 297.399 -0.578 20 0 CBADLP CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)CO2 ZINC001054007573 802323445 /nfs/dbraw/zinc/32/34/45/802323445.db2.gz HFERRBZTUZGVOG-RYUDHWBXSA-N 2 2 267.373 -0.083 20 0 CBADLP CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)CO2 ZINC001054007573 802323454 /nfs/dbraw/zinc/32/34/54/802323454.db2.gz HFERRBZTUZGVOG-RYUDHWBXSA-N 2 2 267.373 -0.083 20 0 CBADLP CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)CO2 ZINC001054007572 802324145 /nfs/dbraw/zinc/32/41/45/802324145.db2.gz HFERRBZTUZGVOG-NWDGAFQWSA-N 2 2 267.373 -0.083 20 0 CBADLP CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)CO2 ZINC001054007572 802324149 /nfs/dbraw/zinc/32/41/49/802324149.db2.gz HFERRBZTUZGVOG-NWDGAFQWSA-N 2 2 267.373 -0.083 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC001119569599 812812361 /nfs/dbraw/zinc/81/23/61/812812361.db2.gz OOSFNZYPWYBYSQ-VXGBXAGGSA-N 2 2 264.329 -0.380 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC001119569598 812812986 /nfs/dbraw/zinc/81/29/86/812812986.db2.gz OOSFNZYPWYBYSQ-RYUDHWBXSA-N 2 2 264.329 -0.380 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC001119569596 812813511 /nfs/dbraw/zinc/81/35/11/812813511.db2.gz OOSFNZYPWYBYSQ-NEPJUHHUSA-N 2 2 264.329 -0.380 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)COCC[NH3+] ZINC001122526061 813173635 /nfs/dbraw/zinc/17/36/35/813173635.db2.gz PONMWBVZZLDDDG-NSHDSACASA-N 2 2 259.350 -0.859 20 0 CBADLP COCCc1noc(C[NH2+]CCNC(=O)CC[NH+](C)C)n1 ZINC001133294562 814237450 /nfs/dbraw/zinc/23/74/50/814237450.db2.gz NHTIBQKEZWWKMN-UHFFFAOYSA-N 2 2 299.375 -0.584 20 0 CBADLP C[C@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]CCS(C)(=O)=O ZINC001133834437 814304602 /nfs/dbraw/zinc/30/46/02/814304602.db2.gz XPJSJXRGBOTPAM-NSHDSACASA-N 2 2 291.417 -0.779 20 0 CBADLP C[C@H]1CCC[N@H+]1CC(=O)NCC[NH2+]CCS(C)(=O)=O ZINC001133834437 814304605 /nfs/dbraw/zinc/30/46/05/814304605.db2.gz XPJSJXRGBOTPAM-NSHDSACASA-N 2 2 291.417 -0.779 20 0 CBADLP C[C@H](C[NH2+]CCCO)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001321559472 803784448 /nfs/dbraw/zinc/78/44/48/803784448.db2.gz FSGRZJLOLRUWBE-NEPJUHHUSA-N 2 2 280.372 -0.078 20 0 CBADLP C[C@@H](C(=O)NC[C@@H]1C[N@H+](C)CCN1C)n1cc[nH+]c1 ZINC001321717398 803805292 /nfs/dbraw/zinc/80/52/92/803805292.db2.gz ANCDNTIGXSOIPG-NWDGAFQWSA-N 2 2 265.361 -0.194 20 0 CBADLP C[C@@H](C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)n1cc[nH+]c1 ZINC001321717398 803805297 /nfs/dbraw/zinc/80/52/97/803805297.db2.gz ANCDNTIGXSOIPG-NWDGAFQWSA-N 2 2 265.361 -0.194 20 0 CBADLP C[C@H](C(=O)NC[C@H]1C[N@H+](C)CCN1C)n1cc[nH+]c1 ZINC001321717397 803806386 /nfs/dbraw/zinc/80/63/86/803806386.db2.gz ANCDNTIGXSOIPG-NEPJUHHUSA-N 2 2 265.361 -0.194 20 0 CBADLP C[C@H](C(=O)NC[C@H]1C[N@@H+](C)CCN1C)n1cc[nH+]c1 ZINC001321717397 803806396 /nfs/dbraw/zinc/80/63/96/803806396.db2.gz ANCDNTIGXSOIPG-NEPJUHHUSA-N 2 2 265.361 -0.194 20 0 CBADLP CCCNC(=O)[C@H](C)[NH2+]CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001149133922 814972895 /nfs/dbraw/zinc/97/28/95/814972895.db2.gz CHGSMGOLKDTXNY-NSHDSACASA-N 2 2 295.387 -0.119 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CC[N@@H+]1CCO ZINC001323272250 803999747 /nfs/dbraw/zinc/99/97/47/803999747.db2.gz GUHGMZDMEKGNGV-NSHDSACASA-N 2 2 252.318 -0.626 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CC[N@H+]1CCO ZINC001323272250 803999755 /nfs/dbraw/zinc/99/97/55/803999755.db2.gz GUHGMZDMEKGNGV-NSHDSACASA-N 2 2 252.318 -0.626 20 0 CBADLP C[C@H]1CC[N@H+](CC(=O)N2CC[NH+](C)C[C@@H]2CO)C1 ZINC001149367764 814986755 /nfs/dbraw/zinc/98/67/55/814986755.db2.gz JOBVCPUJMATAFA-NWDGAFQWSA-N 2 2 255.362 -0.537 20 0 CBADLP C[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)C[C@@H]2CO)C1 ZINC001149367764 814986763 /nfs/dbraw/zinc/98/67/63/814986763.db2.gz JOBVCPUJMATAFA-NWDGAFQWSA-N 2 2 255.362 -0.537 20 0 CBADLP C[C@H]1CC[NH+](CC(=O)N2CC[N@H+](C)C[C@@H]2CO)C1 ZINC001149367764 814986770 /nfs/dbraw/zinc/98/67/70/814986770.db2.gz JOBVCPUJMATAFA-NWDGAFQWSA-N 2 2 255.362 -0.537 20 0 CBADLP C[C@H]1CC[NH+](CC(=O)N2CC[N@@H+](C)C[C@@H]2CO)C1 ZINC001149367764 814986778 /nfs/dbraw/zinc/98/67/78/814986778.db2.gz JOBVCPUJMATAFA-NWDGAFQWSA-N 2 2 255.362 -0.537 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)NCC[NH2+]CC(=O)NC1CC1 ZINC001149557849 814998987 /nfs/dbraw/zinc/99/89/87/814998987.db2.gz CKPFYSUQEHQCIQ-UHFFFAOYSA-N 2 2 293.371 -0.663 20 0 CBADLP CC(C)NC(=O)C[NH2+]CCNC(=O)CCc1c[nH+]cn1C ZINC001149557754 814999637 /nfs/dbraw/zinc/99/96/37/814999637.db2.gz ATGNEQHJPRAVKO-UHFFFAOYSA-N 2 2 295.387 -0.417 20 0 CBADLP C[NH+](C)C[C@@](C)(O)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001324988243 804218915 /nfs/dbraw/zinc/21/89/15/804218915.db2.gz NJUWYYYJPDAQBH-LBPRGKRZSA-N 2 2 254.334 -0.229 20 0 CBADLP C[NH+](C)C[C@@](C)(O)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001324988243 804218922 /nfs/dbraw/zinc/21/89/22/804218922.db2.gz NJUWYYYJPDAQBH-LBPRGKRZSA-N 2 2 254.334 -0.229 20 0 CBADLP O=C(CCc1[nH]cc[nH+]1)NC[C@H]1C[N@H+](CCO)CCCO1 ZINC001149631697 815005530 /nfs/dbraw/zinc/00/55/30/815005530.db2.gz LKKYQOZQRPFBLO-LBPRGKRZSA-N 2 2 296.371 -0.458 20 0 CBADLP O=C(CCc1[nH]cc[nH+]1)NC[C@H]1C[N@@H+](CCO)CCCO1 ZINC001149631697 815005537 /nfs/dbraw/zinc/00/55/37/815005537.db2.gz LKKYQOZQRPFBLO-LBPRGKRZSA-N 2 2 296.371 -0.458 20 0 CBADLP COCC[N@@H+]1CCCO[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001150825271 815045301 /nfs/dbraw/zinc/04/53/01/815045301.db2.gz QWBNVLMCFFRIOM-CYBMUJFWSA-N 2 2 296.371 -0.263 20 0 CBADLP COCC[N@H+]1CCCO[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001150825271 815045306 /nfs/dbraw/zinc/04/53/06/815045306.db2.gz QWBNVLMCFFRIOM-CYBMUJFWSA-N 2 2 296.371 -0.263 20 0 CBADLP CCN(CCC(N)=O)C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001160470796 815627053 /nfs/dbraw/zinc/62/70/53/815627053.db2.gz HLYLKRIGEOWLGU-JTQLQIEISA-N 2 2 267.333 -0.986 20 0 CBADLP CC[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1n1ccnn1 ZINC001070303485 805179499 /nfs/dbraw/zinc/17/94/99/805179499.db2.gz YWQMZECCRXKPOZ-MNOVXSKESA-N 2 2 289.343 -0.395 20 0 CBADLP C[C@H]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C[N@@H+]1CC(N)=O ZINC001071796949 805266165 /nfs/dbraw/zinc/26/61/65/805266165.db2.gz ZVYOFZLYGWKRTE-WCQYABFASA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@H]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C[N@H+]1CC(N)=O ZINC001071796949 805266169 /nfs/dbraw/zinc/26/61/69/805266169.db2.gz ZVYOFZLYGWKRTE-WCQYABFASA-N 2 2 296.415 -0.217 20 0 CBADLP Cc1nnc(C[NH2+]CCNC(=O)C[NH+]2CCCC2)[nH]1 ZINC001151100408 815062475 /nfs/dbraw/zinc/06/24/75/815062475.db2.gz BZRCVINDAQESBJ-UHFFFAOYSA-N 2 2 266.349 -0.585 20 0 CBADLP CCCn1nnnc1C[NH2+]CCNC(=O)C[NH+]1CCCC1 ZINC001151100760 815062554 /nfs/dbraw/zinc/06/25/54/815062554.db2.gz GVYXYIKGTDPCRS-UHFFFAOYSA-N 2 2 295.391 -0.615 20 0 CBADLP C[C@H]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C[N@@H+]1CC(N)=O ZINC001071994759 805279592 /nfs/dbraw/zinc/27/95/92/805279592.db2.gz HCKRDWQRIPNCGK-NWDGAFQWSA-N 2 2 294.399 -0.463 20 0 CBADLP C[C@H]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C[N@H+]1CC(N)=O ZINC001071994759 805279597 /nfs/dbraw/zinc/27/95/97/805279597.db2.gz HCKRDWQRIPNCGK-NWDGAFQWSA-N 2 2 294.399 -0.463 20 0 CBADLP O=C(C[NH+]1CCCC1)NCC[NH2+]Cc1nncs1 ZINC001151100754 815062845 /nfs/dbraw/zinc/06/28/45/815062845.db2.gz GTQDEQBEVJUKIA-UHFFFAOYSA-N 2 2 269.374 -0.160 20 0 CBADLP C[C@@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)C[N@@H+]1CC(N)=O ZINC001072082208 805286640 /nfs/dbraw/zinc/28/66/40/805286640.db2.gz XSOKSRVGXVTCNY-NEPJUHHUSA-N 2 2 282.388 -0.463 20 0 CBADLP C[C@@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)C[N@H+]1CC(N)=O ZINC001072082208 805286648 /nfs/dbraw/zinc/28/66/48/805286648.db2.gz XSOKSRVGXVTCNY-NEPJUHHUSA-N 2 2 282.388 -0.463 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NCC[NH2+]Cc1csnn1 ZINC001151147818 815065352 /nfs/dbraw/zinc/06/53/52/815065352.db2.gz YIJQGTVMCBQRPZ-UHFFFAOYSA-N 2 2 280.357 -0.051 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CC2(C1)CC[N@H+](CCO)C2 ZINC001073128215 805363357 /nfs/dbraw/zinc/36/33/57/805363357.db2.gz VUSDGOOWNKDROH-UHFFFAOYSA-N 2 2 278.356 -0.511 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CC2(C1)CC[N@@H+](CCO)C2 ZINC001073128215 805363367 /nfs/dbraw/zinc/36/33/67/805363367.db2.gz VUSDGOOWNKDROH-UHFFFAOYSA-N 2 2 278.356 -0.511 20 0 CBADLP C[C@H](O)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC001075040167 805481715 /nfs/dbraw/zinc/48/17/15/805481715.db2.gz QFRMKTRKNMIJAH-GVXVVHGQSA-N 2 2 280.372 -0.078 20 0 CBADLP C[C@@H]([NH2+][C@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@H]1C)C(N)=O ZINC001075040190 805481725 /nfs/dbraw/zinc/48/17/25/805481725.db2.gz RJUQBHZTRIBPLU-SCVCMEIPSA-N 2 2 293.371 -0.585 20 0 CBADLP C[C@H]1[C@@H]([NH2+][C@H]2CCNC2=O)CCN1C(=O)Cn1cc[nH+]c1 ZINC001075144858 805484903 /nfs/dbraw/zinc/48/49/03/805484903.db2.gz WECDTVIQPFFUIS-SRVKXCTJSA-N 2 2 291.355 -0.649 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001076046747 805551981 /nfs/dbraw/zinc/55/19/81/805551981.db2.gz JWEJLVCWPWNAHS-NWDGAFQWSA-N 2 2 291.355 -0.790 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001076046747 805551984 /nfs/dbraw/zinc/55/19/84/805551984.db2.gz JWEJLVCWPWNAHS-NWDGAFQWSA-N 2 2 291.355 -0.790 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2coc(C)n2)C1 ZINC001151738290 815091233 /nfs/dbraw/zinc/09/12/33/815091233.db2.gz HMBMPVGLNCOCMU-ZDUSSCGKSA-N 2 2 296.371 -0.090 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2coc(C)n2)C1 ZINC001151738290 815091240 /nfs/dbraw/zinc/09/12/40/815091240.db2.gz HMBMPVGLNCOCMU-ZDUSSCGKSA-N 2 2 296.371 -0.090 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2nocc2C)C1 ZINC001151739412 815091177 /nfs/dbraw/zinc/09/11/77/815091177.db2.gz MIWSLSZPEBSHCV-CYBMUJFWSA-N 2 2 296.371 -0.090 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2nocc2C)C1 ZINC001151739412 815091184 /nfs/dbraw/zinc/09/11/84/815091184.db2.gz MIWSLSZPEBSHCV-CYBMUJFWSA-N 2 2 296.371 -0.090 20 0 CBADLP COCC[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+]1CCOCC1 ZINC001151813852 815095681 /nfs/dbraw/zinc/09/56/81/815095681.db2.gz ASSAAVMAJNUFEX-CYBMUJFWSA-N 2 2 285.388 -0.551 20 0 CBADLP C[C@H](O)C[NH2+]CCNC(=O)[C@H](C1CC1)[NH+]1CCOCC1 ZINC001151814515 815096076 /nfs/dbraw/zinc/09/60/76/815096076.db2.gz HQLQEUOCZMDBBY-AAEUAGOBSA-N 2 2 285.388 -0.816 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](C(=O)N2CCC([NH3+])CC2)CC[NH2+]1 ZINC001160513280 815632191 /nfs/dbraw/zinc/63/21/91/815632191.db2.gz ARSHTTHJQMLXBF-ONGXEEELSA-N 2 2 269.345 -0.523 20 0 CBADLP C[NH+](C)[C@@H](C(=O)NCC[NH2+]CCCO)c1cccnc1 ZINC001152618174 815131671 /nfs/dbraw/zinc/13/16/71/815131671.db2.gz JVTHRZHCVUUQED-CYBMUJFWSA-N 2 2 280.372 -0.228 20 0 CBADLP C[C@@H]([NH2+]CCNC(=O)[C@H](c1cccnc1)[NH+](C)C)C(N)=O ZINC001152619053 815132250 /nfs/dbraw/zinc/13/22/50/815132250.db2.gz VINVENNCYJONCA-PWSUYJOCSA-N 2 2 293.371 -0.736 20 0 CBADLP CC[N@H+](CC(=O)NC)[C@H](C)CNC(=O)CCc1[nH]cc[nH+]1 ZINC001153114478 815150569 /nfs/dbraw/zinc/15/05/69/815150569.db2.gz FHCIZLAWTYSZAC-LLVKDONJSA-N 2 2 295.387 -0.085 20 0 CBADLP CC[N@@H+](CC(=O)NC)[C@H](C)CNC(=O)CCc1[nH]cc[nH+]1 ZINC001153114478 815150572 /nfs/dbraw/zinc/15/05/72/815150572.db2.gz FHCIZLAWTYSZAC-LLVKDONJSA-N 2 2 295.387 -0.085 20 0 CBADLP O=C(CCCn1cc[nH+]c1)NCC[NH2+][C@H]1CCNC1=O ZINC001153345072 815159242 /nfs/dbraw/zinc/15/92/42/815159242.db2.gz OHAORZXJJJDJAO-NSHDSACASA-N 2 2 279.344 -0.742 20 0 CBADLP O=C(CCCn1cc[nH+]c1)NCC[NH2+]CCOCCO ZINC001153345537 815159995 /nfs/dbraw/zinc/15/99/95/815159995.db2.gz ZPHNNQMZRQFUOT-UHFFFAOYSA-N 2 2 284.360 -0.622 20 0 CBADLP C[C@@H]([NH2+]CCNC(=O)Cn1cc[nH+]c1)C(=O)NC1CC1 ZINC001153500081 815165198 /nfs/dbraw/zinc/16/51/98/815165198.db2.gz FAWPZHQTHBRUEK-SNVBAGLBSA-N 2 2 279.344 -0.744 20 0 CBADLP COc1cc(C[NH2+]CCNC(=O)Cn2cc[nH+]c2)on1 ZINC001153496194 815165211 /nfs/dbraw/zinc/16/52/11/815165211.db2.gz VNFHLAMCHIGWPO-UHFFFAOYSA-N 2 2 279.300 -0.214 20 0 CBADLP CCC(CC)NC(=O)C[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153500646 815164069 /nfs/dbraw/zinc/16/40/69/815164069.db2.gz SVZUGPLJOZATRS-UHFFFAOYSA-N 2 2 295.387 -0.106 20 0 CBADLP CCN(C(=O)C[NH2+]CCNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001153500870 815164138 /nfs/dbraw/zinc/16/41/38/815164138.db2.gz XRDWSHBBJOGBLX-UHFFFAOYSA-N 2 2 293.371 -0.400 20 0 CBADLP Cc1ncc(C[NH2+]CCNC(=O)Cn2cc[nH+]c2)cn1 ZINC001153495420 815164198 /nfs/dbraw/zinc/16/41/98/815164198.db2.gz JCQPCYIGGUFCEK-UHFFFAOYSA-N 2 2 274.328 -0.112 20 0 CBADLP O=C(C[NH2+]CCNC(=O)Cn1cc[nH+]c1)Nc1ccon1 ZINC001153500279 815164314 /nfs/dbraw/zinc/16/43/14/815164314.db2.gz IKUIZEHXGPASRC-UHFFFAOYSA-N 2 2 292.299 -0.784 20 0 CBADLP CC(C)N1CC[C@H]([NH2+]CCNC(=O)Cn2cc[nH+]c2)C1=O ZINC001153500325 815164908 /nfs/dbraw/zinc/16/49/08/815164908.db2.gz JVRNSHGJYFWRRI-LBPRGKRZSA-N 2 2 293.371 -0.402 20 0 CBADLP Cn1cc(C[NH2+]CCNC(=O)Cn2cc[nH+]c2)cn1 ZINC001153487812 815164975 /nfs/dbraw/zinc/16/49/75/815164975.db2.gz RGVUVEDYBSKDHF-UHFFFAOYSA-N 2 2 262.317 -0.477 20 0 CBADLP CN1CCC[C@@H]([NH2+]CCNC(=O)Cn2cc[nH+]c2)C1=O ZINC001153495955 815165079 /nfs/dbraw/zinc/16/50/79/815165079.db2.gz SAPWJIZNRPYWQQ-LLVKDONJSA-N 2 2 279.344 -0.790 20 0 CBADLP CC[C@H](C)NC(=O)[C@@H](C)[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153500876 815165141 /nfs/dbraw/zinc/16/51/41/815165141.db2.gz XZDDRUWVZMUMDG-NWDGAFQWSA-N 2 2 295.387 -0.108 20 0 CBADLP C[N@@H+]1CCc2nc(C(=O)NCC[NH2+]CCO)sc2C1 ZINC001154223067 815205938 /nfs/dbraw/zinc/20/59/38/815205938.db2.gz NTTYJZCPVSAFCN-UHFFFAOYSA-N 2 2 284.385 -0.557 20 0 CBADLP C[N@H+]1CCc2nc(C(=O)NCC[NH2+]CCO)sc2C1 ZINC001154223067 815205941 /nfs/dbraw/zinc/20/59/41/815205941.db2.gz NTTYJZCPVSAFCN-UHFFFAOYSA-N 2 2 284.385 -0.557 20 0 CBADLP CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001154345193 815210706 /nfs/dbraw/zinc/21/07/06/815210706.db2.gz VFBJQAMWZIIRFB-LLVKDONJSA-N 2 2 281.360 -0.497 20 0 CBADLP CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001154345193 815210710 /nfs/dbraw/zinc/21/07/10/815210710.db2.gz VFBJQAMWZIIRFB-LLVKDONJSA-N 2 2 281.360 -0.497 20 0 CBADLP CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001154528919 815224838 /nfs/dbraw/zinc/22/48/38/815224838.db2.gz QPSMBZIOWIKNHJ-LLVKDONJSA-N 2 2 281.360 -0.415 20 0 CBADLP CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001154528919 815224841 /nfs/dbraw/zinc/22/48/41/815224841.db2.gz QPSMBZIOWIKNHJ-LLVKDONJSA-N 2 2 281.360 -0.415 20 0 CBADLP COC(=O)[C@H]([NH3+])C1CCN(c2ncc3c(n2)C[NH2+]C3)CC1 ZINC001155153328 815266898 /nfs/dbraw/zinc/26/68/98/815266898.db2.gz PQLIRJPMLUCAHZ-GFCCVEGCSA-N 2 2 291.355 -0.204 20 0 CBADLP C[N@@H+]1CCO[C@@H](CNc2cncc(N3CC[NH2+]CC3)n2)C1 ZINC001155196551 815268479 /nfs/dbraw/zinc/26/84/79/815268479.db2.gz OFUCVWOXVMHLOH-LBPRGKRZSA-N 2 2 292.387 -0.371 20 0 CBADLP C[N@H+]1CCO[C@@H](CNc2cncc(N3CC[NH2+]CC3)n2)C1 ZINC001155196551 815268484 /nfs/dbraw/zinc/26/84/84/815268484.db2.gz OFUCVWOXVMHLOH-LBPRGKRZSA-N 2 2 292.387 -0.371 20 0 CBADLP Cc1nc(N[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)nc(N(C)C)[nH+]1 ZINC001155638267 815302205 /nfs/dbraw/zinc/30/22/05/815302205.db2.gz KIYHQQPHCXWAJC-UTLUCORTSA-N 2 2 264.333 -0.213 20 0 CBADLP [NH3+]CCN(CCO)c1cc(N2CCOCC2)[nH+]cn1 ZINC001155947846 815324562 /nfs/dbraw/zinc/32/45/62/815324562.db2.gz BNFLHSFPRMTBJS-UHFFFAOYSA-N 2 2 267.333 -0.929 20 0 CBADLP Cc1noc(C[NH2+]CCCNC(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC001156144442 815340437 /nfs/dbraw/zinc/34/04/37/815340437.db2.gz CKJQBZJCCFZUMK-LLVKDONJSA-N 2 2 297.359 -0.695 20 0 CBADLP Cc1noc(C[NH2+]CCCNC(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC001156144442 815340443 /nfs/dbraw/zinc/34/04/43/815340443.db2.gz CKJQBZJCCFZUMK-LLVKDONJSA-N 2 2 297.359 -0.695 20 0 CBADLP COC(=O)[C@@H]1C[C@H](Nc2cc3c(nn2)CC[NH2+]C3)C[NH2+]1 ZINC001156249013 815350594 /nfs/dbraw/zinc/35/05/94/815350594.db2.gz UPPGHDZKSRJEHM-ONGXEEELSA-N 2 2 277.328 -0.562 20 0 CBADLP NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001086111445 810242702 /nfs/dbraw/zinc/24/27/02/810242702.db2.gz KSCFUUKGGBVKKL-LMLFDSFASA-N 2 2 291.355 -0.517 20 0 CBADLP NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001086111445 810242707 /nfs/dbraw/zinc/24/27/07/810242707.db2.gz KSCFUUKGGBVKKL-LMLFDSFASA-N 2 2 291.355 -0.517 20 0 CBADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC[N@@H+]1CC(N)=O ZINC001087522892 810294745 /nfs/dbraw/zinc/29/47/45/810294745.db2.gz BFMOOTOSGVNMBG-TUAOUCFPSA-N 2 2 282.388 -0.465 20 0 CBADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC[N@H+]1CC(N)=O ZINC001087522892 810294752 /nfs/dbraw/zinc/29/47/52/810294752.db2.gz BFMOOTOSGVNMBG-TUAOUCFPSA-N 2 2 282.388 -0.465 20 0 CBADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC[NH+]1CC(N)=O ZINC001087522892 810294756 /nfs/dbraw/zinc/29/47/56/810294756.db2.gz BFMOOTOSGVNMBG-TUAOUCFPSA-N 2 2 282.388 -0.465 20 0 CBADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC[NH+]1CC(N)=O ZINC001087522892 810294763 /nfs/dbraw/zinc/29/47/63/810294763.db2.gz BFMOOTOSGVNMBG-TUAOUCFPSA-N 2 2 282.388 -0.465 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC[N@@H+]1CC(=O)N(C)C ZINC001088494976 810335011 /nfs/dbraw/zinc/33/50/11/810335011.db2.gz WBEYBXNGPMTUGK-AGIUHOORSA-N 2 2 296.415 -0.252 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC[N@H+]1CC(=O)N(C)C ZINC001088494976 810335017 /nfs/dbraw/zinc/33/50/17/810335017.db2.gz WBEYBXNGPMTUGK-AGIUHOORSA-N 2 2 296.415 -0.252 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC[NH+]1CC(=O)N(C)C ZINC001088494976 810335021 /nfs/dbraw/zinc/33/50/21/810335021.db2.gz WBEYBXNGPMTUGK-AGIUHOORSA-N 2 2 296.415 -0.252 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC[NH+]1CC(=O)N(C)C ZINC001088494976 810335027 /nfs/dbraw/zinc/33/50/27/810335027.db2.gz WBEYBXNGPMTUGK-AGIUHOORSA-N 2 2 296.415 -0.252 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC[N@@H+]1CC(N)=O ZINC001088939291 810368712 /nfs/dbraw/zinc/36/87/12/810368712.db2.gz IICSCPGUTILPTO-OLZOCXBDSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC[N@H+]1CC(N)=O ZINC001088939291 810368716 /nfs/dbraw/zinc/36/87/16/810368716.db2.gz IICSCPGUTILPTO-OLZOCXBDSA-N 2 2 296.415 -0.217 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@H]1C ZINC001089040878 810375258 /nfs/dbraw/zinc/37/52/58/810375258.db2.gz RGBANQQFCOWVLP-PWSUYJOCSA-N 2 2 293.371 -0.483 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@H]1C ZINC001089040878 810375263 /nfs/dbraw/zinc/37/52/63/810375263.db2.gz RGBANQQFCOWVLP-PWSUYJOCSA-N 2 2 293.371 -0.483 20 0 CBADLP C[C@@H]1CN(c2cc(N3CCC[C@H]3C(N)=O)[nH+]cn2)CC[NH2+]1 ZINC001156699590 815374975 /nfs/dbraw/zinc/37/49/75/815374975.db2.gz FWKSXEJQJRXCHE-MNOVXSKESA-N 2 2 290.371 -0.271 20 0 CBADLP COCC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001090727352 810555408 /nfs/dbraw/zinc/55/54/08/810555408.db2.gz KAQHSOLJONMJCQ-STQMWFEESA-N 2 2 296.371 -0.840 20 0 CBADLP COCC[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001090727352 810555414 /nfs/dbraw/zinc/55/54/14/810555414.db2.gz KAQHSOLJONMJCQ-STQMWFEESA-N 2 2 296.371 -0.840 20 0 CBADLP CC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001090728339 810556767 /nfs/dbraw/zinc/55/67/67/810556767.db2.gz RFGWVMRPFRHOSP-RYUDHWBXSA-N 2 2 266.345 -0.466 20 0 CBADLP CC[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001090728339 810556774 /nfs/dbraw/zinc/55/67/74/810556774.db2.gz RFGWVMRPFRHOSP-RYUDHWBXSA-N 2 2 266.345 -0.466 20 0 CBADLP O=C(C[NH+]1CCCC1)N[C@H]1CC[N@@H+](CCF)C[C@@H]1O ZINC001090812529 810569642 /nfs/dbraw/zinc/56/96/42/810569642.db2.gz GKPKYEBAQQOJQN-RYUDHWBXSA-N 2 2 273.352 -0.397 20 0 CBADLP O=C(C[NH+]1CCCC1)N[C@H]1CC[N@H+](CCF)C[C@@H]1O ZINC001090812529 810569648 /nfs/dbraw/zinc/56/96/48/810569648.db2.gz GKPKYEBAQQOJQN-RYUDHWBXSA-N 2 2 273.352 -0.397 20 0 CBADLP CC(C)[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](O)C1 ZINC001090847885 810574184 /nfs/dbraw/zinc/57/41/84/810574184.db2.gz CBGMGOVTJIHDQU-VXGBXAGGSA-N 2 2 266.345 -0.157 20 0 CBADLP CC(C)[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](O)C1 ZINC001090847885 810574187 /nfs/dbraw/zinc/57/41/87/810574187.db2.gz CBGMGOVTJIHDQU-VXGBXAGGSA-N 2 2 266.345 -0.157 20 0 CBADLP CC[N@H+](CC(=O)NC)[C@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001156942301 815390508 /nfs/dbraw/zinc/39/05/08/815390508.db2.gz KFRFYMKEBGDPOH-LLVKDONJSA-N 2 2 295.387 -0.236 20 0 CBADLP CC[N@@H+](CC(=O)NC)[C@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001156942301 815390515 /nfs/dbraw/zinc/39/05/15/815390515.db2.gz KFRFYMKEBGDPOH-LLVKDONJSA-N 2 2 295.387 -0.236 20 0 CBADLP NC(=O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001095007286 810736966 /nfs/dbraw/zinc/73/69/66/810736966.db2.gz LXRSBDRYKTVIHY-NHCYSSNCSA-N 2 2 291.355 -0.593 20 0 CBADLP CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001096545495 810779990 /nfs/dbraw/zinc/77/99/90/810779990.db2.gz BHMVHDRPBMVQGN-AGIUHOORSA-N 2 2 294.399 -0.450 20 0 CBADLP CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001096545495 810779995 /nfs/dbraw/zinc/77/99/95/810779995.db2.gz BHMVHDRPBMVQGN-AGIUHOORSA-N 2 2 294.399 -0.450 20 0 CBADLP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(N)=O)C1 ZINC001098393682 810844185 /nfs/dbraw/zinc/84/41/85/810844185.db2.gz BRWUWULQRIMBAL-KKOKHZNYSA-N 2 2 280.372 -0.855 20 0 CBADLP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(N)=O)C1 ZINC001098393682 810844193 /nfs/dbraw/zinc/84/41/93/810844193.db2.gz BRWUWULQRIMBAL-KKOKHZNYSA-N 2 2 280.372 -0.855 20 0 CBADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(N)=O)C1 ZINC001098393682 810844203 /nfs/dbraw/zinc/84/42/03/810844203.db2.gz BRWUWULQRIMBAL-KKOKHZNYSA-N 2 2 280.372 -0.855 20 0 CBADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(N)=O)C1 ZINC001098393682 810844213 /nfs/dbraw/zinc/84/42/13/810844213.db2.gz BRWUWULQRIMBAL-KKOKHZNYSA-N 2 2 280.372 -0.855 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCO ZINC001098492359 810849379 /nfs/dbraw/zinc/84/93/79/810849379.db2.gz MNFPPHLFOYBODL-UTUOFQBUSA-N 2 2 264.329 -0.403 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO ZINC001098492359 810849390 /nfs/dbraw/zinc/84/93/90/810849390.db2.gz MNFPPHLFOYBODL-UTUOFQBUSA-N 2 2 264.329 -0.403 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CCC([NH+](CCO)CCO)CC1 ZINC001098583696 810850522 /nfs/dbraw/zinc/85/05/22/810850522.db2.gz AOWVGKGISQMBPC-UHFFFAOYSA-N 2 2 296.371 -0.839 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@]12CCC[C@H]1C[N@@H+](CCO)C2 ZINC001099184177 810867180 /nfs/dbraw/zinc/86/71/80/810867180.db2.gz CJLJBIPRZRLRNT-JSGCOSHPSA-N 2 2 278.356 -0.154 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@]12CCC[C@H]1C[N@H+](CCO)C2 ZINC001099184177 810867189 /nfs/dbraw/zinc/86/71/89/810867189.db2.gz CJLJBIPRZRLRNT-JSGCOSHPSA-N 2 2 278.356 -0.154 20 0 CBADLP CCOC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CC[NH2+]CC1 ZINC001157081873 815403783 /nfs/dbraw/zinc/40/37/83/815403783.db2.gz DIGBEATVEUUQOS-LBPRGKRZSA-N 2 2 294.355 0.000 20 0 CBADLP CCOC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CC[NH2+]CC1 ZINC001157081873 815403787 /nfs/dbraw/zinc/40/37/87/815403787.db2.gz DIGBEATVEUUQOS-LBPRGKRZSA-N 2 2 294.355 0.000 20 0 CBADLP CC[N@@H+]1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001099804222 810944074 /nfs/dbraw/zinc/94/40/74/810944074.db2.gz KBIIAOBVXJONRW-QWRGUYRKSA-N 2 2 266.345 -0.086 20 0 CBADLP CC[N@H+]1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001099804222 810944077 /nfs/dbraw/zinc/94/40/77/810944077.db2.gz KBIIAOBVXJONRW-QWRGUYRKSA-N 2 2 266.345 -0.086 20 0 CBADLP COCC[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001099872117 810956897 /nfs/dbraw/zinc/95/68/97/810956897.db2.gz PCWMMASKNQOEEI-OLZOCXBDSA-N 2 2 296.371 -0.460 20 0 CBADLP COCC[N@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001099872117 810956903 /nfs/dbraw/zinc/95/69/03/810956903.db2.gz PCWMMASKNQOEEI-OLZOCXBDSA-N 2 2 296.371 -0.460 20 0 CBADLP C[N@H+](CC(=O)N[C@@H]1CC[NH+](CCF)C[C@H]1O)C1CCC1 ZINC001099879516 810959077 /nfs/dbraw/zinc/95/90/77/810959077.db2.gz LARCMLSHBRMTDE-CHWSQXEVSA-N 2 2 287.379 -0.008 20 0 CBADLP C[N@@H+](CC(=O)N[C@@H]1CC[NH+](CCF)C[C@H]1O)C1CCC1 ZINC001099879516 810959081 /nfs/dbraw/zinc/95/90/81/810959081.db2.gz LARCMLSHBRMTDE-CHWSQXEVSA-N 2 2 287.379 -0.008 20 0 CBADLP C[NH+](CC(=O)N[C@@H]1CC[N@H+](CCF)C[C@H]1O)C1CCC1 ZINC001099879516 810959084 /nfs/dbraw/zinc/95/90/84/810959084.db2.gz LARCMLSHBRMTDE-CHWSQXEVSA-N 2 2 287.379 -0.008 20 0 CBADLP C[NH+](CC(=O)N[C@@H]1CC[N@@H+](CCF)C[C@H]1O)C1CCC1 ZINC001099879516 810959087 /nfs/dbraw/zinc/95/90/87/810959087.db2.gz LARCMLSHBRMTDE-CHWSQXEVSA-N 2 2 287.379 -0.008 20 0 CBADLP COCC[N@@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)[C@H](O)C1 ZINC001099940673 810973029 /nfs/dbraw/zinc/97/30/29/810973029.db2.gz ZOUZSBZVZPOYIV-CHWSQXEVSA-N 2 2 296.371 -0.529 20 0 CBADLP COCC[N@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)[C@H](O)C1 ZINC001099940673 810973036 /nfs/dbraw/zinc/97/30/36/810973036.db2.gz ZOUZSBZVZPOYIV-CHWSQXEVSA-N 2 2 296.371 -0.529 20 0 CBADLP COCCC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001100048495 811003642 /nfs/dbraw/zinc/00/36/42/811003642.db2.gz MQNWFKCHVFLNAH-VXGBXAGGSA-N 2 2 296.371 -0.460 20 0 CBADLP COCCC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001100048495 811003647 /nfs/dbraw/zinc/00/36/47/811003647.db2.gz MQNWFKCHVFLNAH-VXGBXAGGSA-N 2 2 296.371 -0.460 20 0 CBADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001100139878 811027540 /nfs/dbraw/zinc/02/75/40/811027540.db2.gz YAFHFFLPHOLRQR-OLZOCXBDSA-N 2 2 296.371 -0.793 20 0 CBADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001100139878 811027547 /nfs/dbraw/zinc/02/75/47/811027547.db2.gz YAFHFFLPHOLRQR-OLZOCXBDSA-N 2 2 296.371 -0.793 20 0 CBADLP C[C@H]([NH2+]CCCNC(=O)CCc1[nH]cc[nH+]1)C(=O)N(C)C ZINC001157264754 815416038 /nfs/dbraw/zinc/41/60/38/815416038.db2.gz JGFHHDOHHVAFTM-NSHDSACASA-N 2 2 295.387 -0.085 20 0 CBADLP O=C(CCc1[nH]cc[nH+]1)NCC1CC([NH2+]CCO)C1 ZINC001100294131 811046470 /nfs/dbraw/zinc/04/64/70/811046470.db2.gz HRSLWIWIFSRTNY-UHFFFAOYSA-N 2 2 266.345 -0.181 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NCC1CC([NH2+]CCO)C1 ZINC001100871537 811082686 /nfs/dbraw/zinc/08/26/86/811082686.db2.gz WFHJBRDHHOYLKD-UHFFFAOYSA-N 2 2 266.345 -0.561 20 0 CBADLP CC[N@H+](CC(=O)N(C)C)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001157293334 815420526 /nfs/dbraw/zinc/42/05/26/815420526.db2.gz GCJWDMLNPRTJQP-GFCCVEGCSA-N 2 2 295.387 -0.202 20 0 CBADLP CC[N@@H+](CC(=O)N(C)C)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001157293334 815420531 /nfs/dbraw/zinc/42/05/31/815420531.db2.gz GCJWDMLNPRTJQP-GFCCVEGCSA-N 2 2 295.387 -0.202 20 0 CBADLP O=C(Cn1cc[nH+]c1)NCC1CC([NH2+][C@H]2CCNC2=O)C1 ZINC001101071400 811094516 /nfs/dbraw/zinc/09/45/16/811094516.db2.gz GOWIBXBVXFEOEP-MCIGGMRASA-N 2 2 291.355 -0.744 20 0 CBADLP COC[C@H](O)C[NH2+]C1CC(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001101071329 811095123 /nfs/dbraw/zinc/09/51/23/811095123.db2.gz CJEMILDXRCCNPW-WXRRBKDZSA-N 2 2 296.371 -0.625 20 0 CBADLP CCOC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@]1(C)CC[NH2+]C1 ZINC001157302902 815420903 /nfs/dbraw/zinc/42/09/03/815420903.db2.gz BICPFYXROYZUDA-FZMZJTMJSA-N 2 2 294.355 0.000 20 0 CBADLP CCOC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@]1(C)CC[NH2+]C1 ZINC001157302902 815420907 /nfs/dbraw/zinc/42/09/07/815420907.db2.gz BICPFYXROYZUDA-FZMZJTMJSA-N 2 2 294.355 0.000 20 0 CBADLP C[C@@H](O)C[N@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC001102616634 811162121 /nfs/dbraw/zinc/16/21/21/811162121.db2.gz LEUHFKXBCHDFRR-JHJVBQTASA-N 2 2 280.372 -0.052 20 0 CBADLP C[C@@H](O)C[N@@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC001102616634 811162123 /nfs/dbraw/zinc/16/21/23/811162123.db2.gz LEUHFKXBCHDFRR-JHJVBQTASA-N 2 2 280.372 -0.052 20 0 CBADLP Cn1cc[nH+]c1CCNC(=O)[C@@H]([NH3+])CC[S@@](C)=O ZINC001157421592 815431621 /nfs/dbraw/zinc/43/16/21/815431621.db2.gz GPTWHJZKCPQITP-NIVTXAMTSA-N 2 2 272.374 -0.825 20 0 CBADLP Cn1cc[nH+]c1CCNC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001157423302 815432815 /nfs/dbraw/zinc/43/28/15/815432815.db2.gz RFYNCVSJIQSIHZ-LBPRGKRZSA-N 3 2 291.399 -0.047 20 0 CBADLP Cn1cc[nH+]c1CCNC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001157423287 815432962 /nfs/dbraw/zinc/43/29/62/815432962.db2.gz QSTCETAHSJPDSU-JTQLQIEISA-N 3 2 253.350 -0.465 20 0 CBADLP Cc1cc(N(C(N)=[NH2+])C(=O)[C@@H]([NH3+])CCCC[NH3+])n[nH]1 ZINC001157439850 815433905 /nfs/dbraw/zinc/43/39/05/815433905.db2.gz NKQJCYMRLSPGHL-QMMMGPOBSA-N 3 2 267.337 -0.599 20 0 CBADLP C[NH+]1CCN(C(=O)[C@@H]2C[C@@H]3CC[NH2+]C[C@H]3O2)CC1 ZINC001157450613 815435414 /nfs/dbraw/zinc/43/54/14/815435414.db2.gz DUDRYRRXCANTSI-SDDRHHMPSA-N 2 2 253.346 -0.473 20 0 CBADLP C[C@H]([NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C)C(N)=O ZINC001106705199 811315114 /nfs/dbraw/zinc/31/51/14/811315114.db2.gz WHBWDLNRXCGATB-OUAUKWLOSA-N 2 2 293.371 -0.490 20 0 CBADLP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C)C(N)=O ZINC001106799781 811316516 /nfs/dbraw/zinc/31/65/16/811316516.db2.gz QWRLXZKQSMVPSS-GMTAPVOTSA-N 2 2 293.371 -0.490 20 0 CBADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+]CC(N)=O ZINC001107079353 811324496 /nfs/dbraw/zinc/32/44/96/811324496.db2.gz YVMQZZAJQUWLGB-GHMZBOCLSA-N 2 2 279.344 -0.948 20 0 CBADLP CN(CC(F)(F)F)C(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001157519291 815440733 /nfs/dbraw/zinc/44/07/33/815440733.db2.gz MNKCCFORGMDNKM-VXNVDRBHSA-N 2 2 251.252 -0.041 20 0 CBADLP COC(=O)[C@H]1C[C@H](C(=O)N2C[C@@H](F)[C@@H]([NH3+])C2)CC[NH2+]1 ZINC001157536232 815442256 /nfs/dbraw/zinc/44/22/56/815442256.db2.gz JGVHNCLWSFZSJJ-DOLQZWNJSA-N 2 2 273.308 -0.965 20 0 CBADLP C[C@@]1(C(=O)N2C[C@@H](F)[C@@H]([NH3+])C2)CC(F)(F)C[NH2+]1 ZINC001157535565 815442658 /nfs/dbraw/zinc/44/26/58/815442658.db2.gz CCBUZDPKGDIERZ-FJXKBIBVSA-N 2 2 251.252 -0.119 20 0 CBADLP CC(C)[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001107839238 811382783 /nfs/dbraw/zinc/38/27/83/811382783.db2.gz KVAJSBXBTCZEDJ-DZGCQCFKSA-N 2 2 299.415 -0.068 20 0 CBADLP CC(C)[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001107839238 811382792 /nfs/dbraw/zinc/38/27/92/811382792.db2.gz KVAJSBXBTCZEDJ-DZGCQCFKSA-N 2 2 299.415 -0.068 20 0 CBADLP CC(C)[NH+]1CCO[C@](C)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001107839238 811382804 /nfs/dbraw/zinc/38/28/04/811382804.db2.gz KVAJSBXBTCZEDJ-DZGCQCFKSA-N 2 2 299.415 -0.068 20 0 CBADLP CC(C)[NH+]1CCO[C@](C)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001107839238 811382813 /nfs/dbraw/zinc/38/28/13/811382813.db2.gz KVAJSBXBTCZEDJ-DZGCQCFKSA-N 2 2 299.415 -0.068 20 0 CBADLP CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001108023392 811404274 /nfs/dbraw/zinc/40/42/74/811404274.db2.gz AVGIWMUPVGCGCW-NFAWXSAZSA-N 2 2 299.415 -0.068 20 0 CBADLP CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001108023392 811404279 /nfs/dbraw/zinc/40/42/79/811404279.db2.gz AVGIWMUPVGCGCW-NFAWXSAZSA-N 2 2 299.415 -0.068 20 0 CBADLP CC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001108023392 811404283 /nfs/dbraw/zinc/40/42/83/811404283.db2.gz AVGIWMUPVGCGCW-NFAWXSAZSA-N 2 2 299.415 -0.068 20 0 CBADLP CC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001108023392 811404291 /nfs/dbraw/zinc/40/42/91/811404291.db2.gz AVGIWMUPVGCGCW-NFAWXSAZSA-N 2 2 299.415 -0.068 20 0 CBADLP C[C@@H]1CCC[N@@H+]1CC(=O)NC[C@@]1(C)C[NH+](CCO)CCO1 ZINC001108213413 811425027 /nfs/dbraw/zinc/42/50/27/811425027.db2.gz OLDQFCKJUCPHFK-HIFRSBDPSA-N 2 2 299.415 -0.330 20 0 CBADLP C[C@@H]1CCC[N@H+]1CC(=O)NC[C@@]1(C)C[NH+](CCO)CCO1 ZINC001108213413 811425034 /nfs/dbraw/zinc/42/50/34/811425034.db2.gz OLDQFCKJUCPHFK-HIFRSBDPSA-N 2 2 299.415 -0.330 20 0 CBADLP C[C@@H]1CCC[NH+]1CC(=O)NC[C@@]1(C)C[N@H+](CCO)CCO1 ZINC001108213413 811425038 /nfs/dbraw/zinc/42/50/38/811425038.db2.gz OLDQFCKJUCPHFK-HIFRSBDPSA-N 2 2 299.415 -0.330 20 0 CBADLP C[C@@H]1CCC[NH+]1CC(=O)NC[C@@]1(C)C[N@@H+](CCO)CCO1 ZINC001108213413 811425044 /nfs/dbraw/zinc/42/50/44/811425044.db2.gz OLDQFCKJUCPHFK-HIFRSBDPSA-N 2 2 299.415 -0.330 20 0 CBADLP CC[NH+](CC)CC(=O)NC[C@@]1(C)C[N@H+](CCO)CCO1 ZINC001108287488 811432135 /nfs/dbraw/zinc/43/21/35/811432135.db2.gz UUAJNLRHWNLPPH-AWEZNQCLSA-N 2 2 287.404 -0.472 20 0 CBADLP CC[NH+](CC)CC(=O)NC[C@@]1(C)C[N@@H+](CCO)CCO1 ZINC001108287488 811432137 /nfs/dbraw/zinc/43/21/37/811432137.db2.gz UUAJNLRHWNLPPH-AWEZNQCLSA-N 2 2 287.404 -0.472 20 0 CBADLP O=C(CCn1cc[nH+]c1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCO ZINC001109581193 811496720 /nfs/dbraw/zinc/49/67/20/811496720.db2.gz NGAIVUAWVPRJMD-AGIUHOORSA-N 2 2 278.356 -0.013 20 0 CBADLP O=C(CCn1cc[nH+]c1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO ZINC001109581193 811496727 /nfs/dbraw/zinc/49/67/27/811496727.db2.gz NGAIVUAWVPRJMD-AGIUHOORSA-N 2 2 278.356 -0.013 20 0 CBADLP CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O)[NH+](C)C ZINC001109686668 811500419 /nfs/dbraw/zinc/50/04/19/811500419.db2.gz CDIRDWDNDVBRAV-OWTLIXCDSA-N 2 2 296.415 -0.221 20 0 CBADLP CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O)[NH+](C)C ZINC001109686668 811500425 /nfs/dbraw/zinc/50/04/25/811500425.db2.gz CDIRDWDNDVBRAV-OWTLIXCDSA-N 2 2 296.415 -0.221 20 0 CBADLP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O)[NH+](C)C ZINC001109733266 811500693 /nfs/dbraw/zinc/50/06/93/811500693.db2.gz LEWIUUPMHNGDJW-RHYQMDGZSA-N 2 2 282.388 -0.467 20 0 CBADLP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O)[NH+](C)C ZINC001109733266 811500698 /nfs/dbraw/zinc/50/06/98/811500698.db2.gz LEWIUUPMHNGDJW-RHYQMDGZSA-N 2 2 282.388 -0.467 20 0 CBADLP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(N)=O ZINC001110016148 811506743 /nfs/dbraw/zinc/50/67/43/811506743.db2.gz AMKOORKUNMURAQ-WOPDTQHZSA-N 2 2 282.388 -0.465 20 0 CBADLP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(N)=O ZINC001110016148 811506752 /nfs/dbraw/zinc/50/67/52/811506752.db2.gz AMKOORKUNMURAQ-WOPDTQHZSA-N 2 2 282.388 -0.465 20 0 CBADLP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001110016148 811506759 /nfs/dbraw/zinc/50/67/59/811506759.db2.gz AMKOORKUNMURAQ-WOPDTQHZSA-N 2 2 282.388 -0.465 20 0 CBADLP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001110016148 811506767 /nfs/dbraw/zinc/50/67/67/811506767.db2.gz AMKOORKUNMURAQ-WOPDTQHZSA-N 2 2 282.388 -0.465 20 0 CBADLP CCNC(=O)CN(C)C(=O)[C@H]1CCC[N@@H+]([C@@H]2CC[NH2+]C2)C1 ZINC001157679761 815452969 /nfs/dbraw/zinc/45/29/69/815452969.db2.gz ZNCXFOZQGDIVQZ-QWHCGFSZSA-N 2 2 296.415 -0.345 20 0 CBADLP CCNC(=O)CN(C)C(=O)[C@H]1CCC[N@H+]([C@@H]2CC[NH2+]C2)C1 ZINC001157679761 815452973 /nfs/dbraw/zinc/45/29/73/815452973.db2.gz ZNCXFOZQGDIVQZ-QWHCGFSZSA-N 2 2 296.415 -0.345 20 0 CBADLP CC(C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O)[NH+](C)C ZINC001110992919 811535287 /nfs/dbraw/zinc/53/52/87/811535287.db2.gz CDIRDWDNDVBRAV-NRWUCQMLSA-N 2 2 296.415 -0.221 20 0 CBADLP CC(C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O)[NH+](C)C ZINC001110992919 811535299 /nfs/dbraw/zinc/53/52/99/811535299.db2.gz CDIRDWDNDVBRAV-NRWUCQMLSA-N 2 2 296.415 -0.221 20 0 CBADLP COC(=O)[C@@]1(F)CCN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)C1 ZINC001157715507 815455146 /nfs/dbraw/zinc/45/51/46/815455146.db2.gz FASKLWIVBABMDD-QISWUMQESA-N 2 2 285.319 -0.950 20 0 CBADLP COC(=O)[C@@]1(F)CCN(C(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)C1 ZINC001157717203 815456907 /nfs/dbraw/zinc/45/69/07/815456907.db2.gz YPTMGEKLYRBDQQ-JOYOIKCWSA-N 2 2 284.291 -0.607 20 0 CBADLP O=C(N1CCC[C@@H](F)C(=O)C1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001157731046 815459077 /nfs/dbraw/zinc/45/90/77/815459077.db2.gz UXVNOGIHEGQWSA-CWSCBRNRSA-N 2 2 269.320 -0.533 20 0 CBADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1C[C@H](CO)C[C@H](F)C1 ZINC001157731855 815459642 /nfs/dbraw/zinc/45/96/42/815459642.db2.gz XJSPUHZRAOJSQC-WTPMCQDGSA-N 2 2 271.336 -0.885 20 0 CBADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H](CO)C[C@H](F)C1 ZINC001157730771 815459650 /nfs/dbraw/zinc/45/96/50/815459650.db2.gz ONDQXRYETDVFHV-WCABBAIRSA-N 2 2 270.308 -0.542 20 0 CBADLP COC[C@@H](O)C[NH+]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001112964850 811612990 /nfs/dbraw/zinc/61/29/90/811612990.db2.gz AVINUYQHIQJZJA-UONOGXRCSA-N 2 2 299.415 -0.522 20 0 CBADLP C[NH+](C)[C@@H](C(=O)N1CC[NH+](CCOCCO)CC1)C1CC1 ZINC001112965755 811614016 /nfs/dbraw/zinc/61/40/16/811614016.db2.gz MZAQFJPZALPJOC-CQSZACIVSA-N 2 2 299.415 -0.520 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC[NH+](CCOCCO)CC1 ZINC001113346424 811632867 /nfs/dbraw/zinc/63/28/67/811632867.db2.gz ZFKHESSKUQLOAA-ZIAGYGMSSA-N 2 2 299.415 -0.663 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC[NH+](CCOCCO)CC1 ZINC001113346424 811632870 /nfs/dbraw/zinc/63/28/70/811632870.db2.gz ZFKHESSKUQLOAA-ZIAGYGMSSA-N 2 2 299.415 -0.663 20 0 CBADLP CC[C@@H](C(=O)N1CC[NH+](C[C@H](O)COC)CC1)[NH+](C)C ZINC001113351120 811633214 /nfs/dbraw/zinc/63/32/14/811633214.db2.gz MQGGBNCHSQAMIT-STQMWFEESA-N 2 2 287.404 -0.522 20 0 CBADLP C[N@@H+]1CC[C@@H](CC(=O)N2CC[NH+](CCOCCO)CC2)C1 ZINC001113536309 811645965 /nfs/dbraw/zinc/64/59/65/811645965.db2.gz MJIZYMDFINXBAA-AWEZNQCLSA-N 2 2 299.415 -0.519 20 0 CBADLP C[N@H+]1CC[C@@H](CC(=O)N2CC[NH+](CCOCCO)CC2)C1 ZINC001113536309 811645967 /nfs/dbraw/zinc/64/59/67/811645967.db2.gz MJIZYMDFINXBAA-AWEZNQCLSA-N 2 2 299.415 -0.519 20 0 CBADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@](O)(CF)CC1 ZINC001157781979 815465856 /nfs/dbraw/zinc/46/58/56/815465856.db2.gz WGAPATUULKWIIQ-WCQYABFASA-N 2 2 284.335 -0.007 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](CCCOC)CC2)C1 ZINC001113658197 811653578 /nfs/dbraw/zinc/65/35/78/811653578.db2.gz KOGSCWSTKBLDLA-AWEZNQCLSA-N 2 2 299.415 -0.112 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[NH+](CCCOC)CC2)C1 ZINC001113658197 811653586 /nfs/dbraw/zinc/65/35/86/811653586.db2.gz KOGSCWSTKBLDLA-AWEZNQCLSA-N 2 2 299.415 -0.112 20 0 CBADLP [NH3+]C1(C(=O)N2CCC[C@@](O)(CF)CC2)CC[NH2+]CC1 ZINC001157781610 815466179 /nfs/dbraw/zinc/46/61/79/815466179.db2.gz RGUZCEIRKFGJMK-LBPRGKRZSA-N 2 2 273.352 -0.220 20 0 CBADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CCC[C@@](O)(CF)CC1 ZINC001157780645 815466246 /nfs/dbraw/zinc/46/62/46/815466246.db2.gz HRRIRPMDKRHLKU-FMSGJZPZSA-N 2 2 285.363 -0.351 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](C(=O)N2CC[C@@H](C)[C@@H]([NH3+])C2)CC[NH2+]1 ZINC001157798446 815467072 /nfs/dbraw/zinc/46/70/72/815467072.db2.gz BCDNSCDDLOMGFI-RHYQMDGZSA-N 2 2 283.372 -0.277 20 0 CBADLP C[N@H+](CCO)C[C@H]1CCCCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC001157747871 815462022 /nfs/dbraw/zinc/46/20/22/815462022.db2.gz JPELIKFZUXRIBL-ZIAGYGMSSA-N 2 2 299.415 -0.378 20 0 CBADLP C[N@@H+](CCO)C[C@H]1CCCCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC001157747871 815462026 /nfs/dbraw/zinc/46/20/26/815462026.db2.gz JPELIKFZUXRIBL-ZIAGYGMSSA-N 2 2 299.415 -0.378 20 0 CBADLP C[NH+](CCO)C[C@H]1CCCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001157747871 815462029 /nfs/dbraw/zinc/46/20/29/815462029.db2.gz JPELIKFZUXRIBL-ZIAGYGMSSA-N 2 2 299.415 -0.378 20 0 CBADLP C[NH+](CCO)C[C@H]1CCCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001157747871 815462034 /nfs/dbraw/zinc/46/20/34/815462034.db2.gz JPELIKFZUXRIBL-ZIAGYGMSSA-N 2 2 299.415 -0.378 20 0 CBADLP C[C@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001157841801 815470661 /nfs/dbraw/zinc/47/06/61/815470661.db2.gz HXZBOSNZSMTHSX-KSFQGOMNSA-N 3 2 266.389 -0.206 20 0 CBADLP C[C@@H]1CC[C@H](CO)CN1C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001157854735 815473755 /nfs/dbraw/zinc/47/37/55/815473755.db2.gz HROBDIJMVNZOFB-MDZLAQPJSA-N 2 2 280.372 -0.091 20 0 CBADLP [NH3+]C1(C(=O)N2CCCC(=O)[C@H](F)C2)CC[NH2+]CC1 ZINC001157856988 815474362 /nfs/dbraw/zinc/47/43/62/815474362.db2.gz YPIUDDIFDHUZOF-SECBINFHSA-N 2 2 257.309 -0.403 20 0 CBADLP C[C@@]1(O)CCN(C(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)C[C@@H]1F ZINC001157900425 815478092 /nfs/dbraw/zinc/47/80/92/815478092.db2.gz IYIJHPICWFDGCJ-LYIQGSDWSA-N 2 2 271.336 -0.741 20 0 CBADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](CO)CC(F)(F)C1 ZINC001157901313 815478587 /nfs/dbraw/zinc/47/85/87/815478587.db2.gz ZRPFEQPTTVOSNQ-WPRPVWTQSA-N 2 2 288.298 -0.244 20 0 CBADLP C[NH+]1CCN(C(=[NH2+])Nc2cncc(-n3cncn3)n2)CC1 ZINC001157916363 815481373 /nfs/dbraw/zinc/48/13/73/815481373.db2.gz VLEFAQZDTCLDAX-UHFFFAOYSA-N 2 2 287.331 -0.349 20 0 CBADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H](CO)CC(F)(F)C1 ZINC001157901310 815479521 /nfs/dbraw/zinc/47/95/21/815479521.db2.gz ZRPFEQPTTVOSNQ-PSASIEDQSA-N 2 2 288.298 -0.244 20 0 CBADLP C[C@H]1CC[C@@H](CO)N1C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001157916023 815481489 /nfs/dbraw/zinc/48/14/89/815481489.db2.gz XBQPAOLMNGJRLH-NHCYSSNCSA-N 2 2 266.345 -0.338 20 0 CBADLP C[NH+]1CCN(C(=[NH2+])Nc2cccc(C(N)=O)n2)CC1 ZINC001157915236 815481507 /nfs/dbraw/zinc/48/15/07/815481507.db2.gz MMJIESWBFQGWNU-UHFFFAOYSA-N 2 2 262.317 -0.225 20 0 CBADLP COC[C@@H]1CCCCN1C(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001157922560 815483320 /nfs/dbraw/zinc/48/33/20/815483320.db2.gz RBVJCYWTJBDUDD-OBJOEFQTSA-N 2 2 267.373 -0.035 20 0 CBADLP CC1(C)CN(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)[C@](C)(CO)C1 ZINC001157926807 815484898 /nfs/dbraw/zinc/48/48/98/815484898.db2.gz SIZQJWUAHYEGLQ-NRUUGDAUSA-N 2 2 255.362 -0.315 20 0 CBADLP [NH3+]Cc1nc(=O)[nH]n1-c1nccc(N2CCC([NH3+])CC2)n1 ZINC001157934178 815487660 /nfs/dbraw/zinc/48/76/60/815487660.db2.gz QXJYRIYXSQVUDW-UHFFFAOYSA-N 2 2 290.331 -0.851 20 0 CBADLP Cc1nc(CCN(C)C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)no1 ZINC001157983400 815494495 /nfs/dbraw/zinc/49/44/95/815494495.db2.gz OFSHCNMMRIAVRP-BREBYQMCSA-N 2 2 279.344 -0.399 20 0 CBADLP O=C(N1CCNCC(F)(F)C1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001157936403 815488341 /nfs/dbraw/zinc/48/83/41/815488341.db2.gz FKYPIGMYCRNFKL-BXKDBHETSA-N 2 2 274.315 -0.995 20 0 CBADLP C[C@H]1CN(C(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)C[C@@H]1O ZINC001157997326 815496150 /nfs/dbraw/zinc/49/61/50/815496150.db2.gz MXMKEDAFHPNJCK-LSJOCFKGSA-N 2 2 252.318 -0.871 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1COC(C)(C)[NH2+]1 ZINC001157998794 815496662 /nfs/dbraw/zinc/49/66/62/815496662.db2.gz HTMUDFRCAXVQKT-UWVGGRQHSA-N 2 2 285.344 -0.926 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC001157999007 815497201 /nfs/dbraw/zinc/49/72/01/815497201.db2.gz MHEHIWOQRMRXQI-TUAOUCFPSA-N 2 2 283.372 -0.262 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@]12CC[C@@H]1C[NH2+]C2 ZINC001157998120 815497358 /nfs/dbraw/zinc/49/73/58/815497358.db2.gz DZEAICRYZKEUAG-SUNKGSAMSA-N 2 2 281.356 -0.651 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@]12CC[C@H]1C[NH2+]C2 ZINC001157998118 815497425 /nfs/dbraw/zinc/49/74/25/815497425.db2.gz DZEAICRYZKEUAG-COPLHBTASA-N 2 2 281.356 -0.651 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@H]1C[NH2+]CC1(C)C ZINC001158007834 815498471 /nfs/dbraw/zinc/49/84/71/815498471.db2.gz WLCFDJSANZOVOC-MNOVXSKESA-N 2 2 283.372 -0.405 20 0 CBADLP Cc1c[nH+]c2cc(C(=O)NCCC[NH2+]CC(N)=O)ccn12 ZINC001158062030 815500102 /nfs/dbraw/zinc/50/01/02/815500102.db2.gz OLVSARPTRPEANG-UHFFFAOYSA-N 2 2 289.339 -0.162 20 0 CBADLP [NH3+]C1CC2(C1)CCN(C(=O)[C@]13C[NH2+]C[C@@H]1CC[NH2+]3)CC2 ZINC001158081656 815503464 /nfs/dbraw/zinc/50/34/64/815503464.db2.gz FVDRLTLGLPLKPC-NHYWBVRUSA-N 3 2 278.400 -0.332 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001114885338 812165880 /nfs/dbraw/zinc/16/58/80/812165880.db2.gz NRHBHBNWNAMOBA-IMRBUKKESA-N 2 2 294.355 -0.993 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001114885338 812165885 /nfs/dbraw/zinc/16/58/85/812165885.db2.gz NRHBHBNWNAMOBA-IMRBUKKESA-N 2 2 294.355 -0.993 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCC[C@@]23CCC[NH2+]C3)C1 ZINC001158160202 815507590 /nfs/dbraw/zinc/50/75/90/815507590.db2.gz JFXZYNDNYUHAPA-NTZNESFSSA-N 3 2 252.362 -0.580 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001115188738 812183735 /nfs/dbraw/zinc/18/37/35/812183735.db2.gz PHRHHSXPFQSXNM-IMRBUKKESA-N 2 2 278.356 -0.609 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001115188738 812183739 /nfs/dbraw/zinc/18/37/39/812183739.db2.gz PHRHHSXPFQSXNM-IMRBUKKESA-N 2 2 278.356 -0.609 20 0 CBADLP CCOC(=O)c1cncc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001158203532 815512734 /nfs/dbraw/zinc/51/27/34/815512734.db2.gz CSURFACUUSCEQK-SECBINFHSA-N 2 2 291.311 -0.299 20 0 CBADLP COC(=O)c1ccnc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001158204233 815512902 /nfs/dbraw/zinc/51/29/02/815512902.db2.gz OIIMERHRIKQAQT-MRVPVSSYSA-N 2 2 277.284 -0.689 20 0 CBADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccnc2ccnn21 ZINC001158203400 815512906 /nfs/dbraw/zinc/51/29/06/815512906.db2.gz KXVZZNAJSGORJY-SECBINFHSA-N 2 2 258.285 -0.223 20 0 CBADLP CCn1cnc2c1ncnc2-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001158209228 815513582 /nfs/dbraw/zinc/51/35/82/815513582.db2.gz MBFLJRWVCBISRK-SECBINFHSA-N 2 2 287.327 -0.106 20 0 CBADLP Cn1c(=O)ccc2ccc(-n3c[nH+]cc3C[C@@H]([NH3+])CO)nc21 ZINC001158206435 815513646 /nfs/dbraw/zinc/51/36/46/815513646.db2.gz OENAYPRIXAUUFZ-LLVKDONJSA-N 2 2 299.334 -0.019 20 0 CBADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccc2c(n1)OCC(=O)N2 ZINC001158204643 815513788 /nfs/dbraw/zinc/51/37/88/815513788.db2.gz SKVLGNDRMQAJHB-MRVPVSSYSA-N 2 2 289.295 -0.540 20 0 CBADLP CNC(=O)c1ccnc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c1 ZINC001158206419 815513835 /nfs/dbraw/zinc/51/38/35/815513835.db2.gz NRMBDMIJSGXCIY-SNVBAGLBSA-N 2 2 275.312 -0.511 20 0 CBADLP Cc1ccc(C(N)=O)c(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001158206596 815514118 /nfs/dbraw/zinc/51/41/18/815514118.db2.gz VSEFBVZMJNHHJB-SECBINFHSA-N 2 2 275.312 -0.463 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](Nc2ncc3c(n2)C[NH2+]C3)C[NH2+]1 ZINC001158255597 815517100 /nfs/dbraw/zinc/51/71/00/815517100.db2.gz YXBATIRORQSCCR-BDAKNGLRSA-N 2 2 263.301 -0.605 20 0 CBADLP O=C(N1C[C@@H]2OCC(F)(F)[C@@H]2C1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001158319412 815519432 /nfs/dbraw/zinc/51/94/32/815519432.db2.gz GUFICNSCTQVGCO-MIZYBKAJSA-N 2 2 287.310 -0.570 20 0 CBADLP O=C(N1C[C@@H]2C[C@@H]2[C@@H](F)C1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001158326942 815520922 /nfs/dbraw/zinc/52/09/22/815520922.db2.gz BEKOLHWREOTSGW-CCJOIDDDSA-N 2 2 253.321 -0.246 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCC[C@H]2[NH2+]C[C@H]21 ZINC001158414264 815527273 /nfs/dbraw/zinc/52/72/73/815527273.db2.gz FFIQJUOCQSIZSK-QJPTWQEYSA-N 3 2 263.345 -0.747 20 0 CBADLP CC[NH+]1CCC([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)CC1 ZINC001118085516 812467764 /nfs/dbraw/zinc/46/77/64/812467764.db2.gz GMTFLWWLPIKYMX-OAHLLOKOSA-N 3 2 284.448 -0.331 20 0 CBADLP Cc1[nH+]ccn1CCC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001118089024 812469351 /nfs/dbraw/zinc/46/93/51/812469351.db2.gz RNMWCHGOPNHAQJ-HNNXBMFYSA-N 2 2 295.431 -0.220 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1CC[NH2+][C@H]1C ZINC001118255854 812510205 /nfs/dbraw/zinc/51/02/05/812510205.db2.gz GPBGWOXCHCPRDM-AXFHLTTASA-N 2 2 269.345 -0.652 20 0 CBADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N2C[C@@H](CF)[C@H](C3([NH3+])CC3)C2)C1 ZINC001158576611 815539277 /nfs/dbraw/zinc/53/92/77/815539277.db2.gz CCPJKOXRIMNRTF-YTWAJWBKSA-N 3 2 270.352 -0.789 20 0 CBADLP [NH3+]C1([C@@H]2CN(C(=O)C3([NH3+])CC[NH2+]CC3)C[C@H]2CF)CC1 ZINC001158576187 815539644 /nfs/dbraw/zinc/53/96/44/815539644.db2.gz AFEFFBMWRZAICK-GHMZBOCLSA-N 3 2 284.379 -0.397 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNc1cncc(N2CC[NH2+]CC2)n1 ZINC001158707400 815543344 /nfs/dbraw/zinc/54/33/44/815543344.db2.gz NYWQYJZDOZLLDK-GFCCVEGCSA-N 2 2 292.387 -0.371 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNc1cncc(N2CC[NH2+]CC2)n1 ZINC001158707400 815543348 /nfs/dbraw/zinc/54/33/48/815543348.db2.gz NYWQYJZDOZLLDK-GFCCVEGCSA-N 2 2 292.387 -0.371 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNc1cc(C2C[NH2+]C2)ncn1 ZINC001158709814 815543929 /nfs/dbraw/zinc/54/39/29/815543929.db2.gz IJCLWZXDBXBGJK-LLVKDONJSA-N 2 2 263.345 -0.094 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNc1cc(C2C[NH2+]C2)ncn1 ZINC001158709814 815543933 /nfs/dbraw/zinc/54/39/33/815543933.db2.gz IJCLWZXDBXBGJK-LLVKDONJSA-N 2 2 263.345 -0.094 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNc1ccc(N2CC[NH2+]CC2)nn1 ZINC001158702396 815543973 /nfs/dbraw/zinc/54/39/73/815543973.db2.gz QFBPBZXIEQNCHU-LBPRGKRZSA-N 2 2 292.387 -0.371 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNc1ccc(N2CC[NH2+]CC2)nn1 ZINC001158702396 815543975 /nfs/dbraw/zinc/54/39/75/815543975.db2.gz QFBPBZXIEQNCHU-LBPRGKRZSA-N 2 2 292.387 -0.371 20 0 CBADLP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001119236778 812727992 /nfs/dbraw/zinc/72/79/92/812727992.db2.gz CQDVQQYAJSWFFB-AINJUTQGSA-N 2 2 294.399 -0.536 20 0 CBADLP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001119236778 812727996 /nfs/dbraw/zinc/72/79/96/812727996.db2.gz CQDVQQYAJSWFFB-AINJUTQGSA-N 2 2 294.399 -0.536 20 0 CBADLP CN(C[C@@H](O)CO)C(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001158805134 815548986 /nfs/dbraw/zinc/54/89/86/815548986.db2.gz ZJXRRQQHRACYRT-NEPJUHHUSA-N 2 2 267.329 -0.930 20 0 CBADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCNC(=O)CC1 ZINC001119247049 812732146 /nfs/dbraw/zinc/73/21/46/812732146.db2.gz PIIZDCGKZCAJOX-RYUDHWBXSA-N 2 2 282.388 -0.416 20 0 CBADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCNC(=O)CC1 ZINC001119247049 812732148 /nfs/dbraw/zinc/73/21/48/812732148.db2.gz PIIZDCGKZCAJOX-RYUDHWBXSA-N 2 2 282.388 -0.416 20 0 CBADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC001119252770 812733672 /nfs/dbraw/zinc/73/36/72/812733672.db2.gz OQXCIZWZOLIWBW-ZDUSSCGKSA-N 2 2 277.328 -0.363 20 0 CBADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC001119252770 812733682 /nfs/dbraw/zinc/73/36/82/812733682.db2.gz OQXCIZWZOLIWBW-ZDUSSCGKSA-N 2 2 277.328 -0.363 20 0 CBADLP CC(=O)Cn1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC001119330545 812757385 /nfs/dbraw/zinc/75/73/85/812757385.db2.gz DBPIVPIHRUDPNG-UHFFFAOYSA-N 2 2 251.334 -0.167 20 0 CBADLP C[C@H](C[NH2+]Cc1ncnn1C)N1CC[NH+](C)CC1 ZINC001119340191 812759997 /nfs/dbraw/zinc/75/99/97/812759997.db2.gz SYEHLGXVZILSPQ-LLVKDONJSA-N 2 2 252.366 -0.459 20 0 CBADLP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)NCCn1cc[nH+]c1 ZINC001119346560 812761254 /nfs/dbraw/zinc/76/12/54/812761254.db2.gz BLDJDJXAHKQYQC-GFCCVEGCSA-N 2 2 293.371 -0.400 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCC[C@H](C)[NH3+] ZINC001119350904 812762592 /nfs/dbraw/zinc/76/25/92/812762592.db2.gz MCBVYXOFULIHIF-VHSXEESVSA-N 2 2 267.333 -0.759 20 0 CBADLP C[C@H]([NH3+])CCNC(=O)C(=O)N(C)CCCn1cc[nH+]c1 ZINC001119352208 812763541 /nfs/dbraw/zinc/76/35/41/812763541.db2.gz KPSMWCJYNCPDPS-NSHDSACASA-N 2 2 281.360 -0.415 20 0 CBADLP C[C@@H]1C[N@H+](C[C@H](O)COC2CCOCC2)C[C@H]1[NH3+] ZINC001119617303 812834983 /nfs/dbraw/zinc/83/49/83/812834983.db2.gz MXNANOLSZOTFKC-NTZNESFSSA-N 2 2 258.362 -0.178 20 0 CBADLP C[C@@H]1C[N@@H+](C[C@H](O)COC2CCOCC2)C[C@H]1[NH3+] ZINC001119617303 812834992 /nfs/dbraw/zinc/83/49/92/812834992.db2.gz MXNANOLSZOTFKC-NTZNESFSSA-N 2 2 258.362 -0.178 20 0 CBADLP CCO[C@@H]1CN(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)[C@@H]2CCCO[C@H]12 ZINC001159085607 815559000 /nfs/dbraw/zinc/55/90/00/815559000.db2.gz VSUXHTKCNREZDA-MLGHIDQZSA-N 2 2 283.372 -0.530 20 0 CBADLP COCCCNC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001120472070 812970873 /nfs/dbraw/zinc/97/08/73/812970873.db2.gz BLBFWVLLJUYIQC-UHFFFAOYSA-N 2 2 258.366 -0.255 20 0 CBADLP OC[C@H]1C[C@@H](O)CN1c1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC001159251569 815566371 /nfs/dbraw/zinc/56/63/71/815566371.db2.gz XLGJXZPMHHLFFO-CHWSQXEVSA-N 2 2 278.356 -0.577 20 0 CBADLP CC[NH+]1CCN(CC[NH2+]C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC001120480979 812972714 /nfs/dbraw/zinc/97/27/14/812972714.db2.gz JREMMLNMRUTPFW-HNNXBMFYSA-N 3 2 284.448 -0.331 20 0 CBADLP CC[NH+]1CCN(CC[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC001120480979 812972721 /nfs/dbraw/zinc/97/27/21/812972721.db2.gz JREMMLNMRUTPFW-HNNXBMFYSA-N 3 2 284.448 -0.331 20 0 CBADLP CC[NH+]1CCN(CCNC[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC001120480979 812972728 /nfs/dbraw/zinc/97/27/28/812972728.db2.gz JREMMLNMRUTPFW-HNNXBMFYSA-N 2 2 284.448 -0.331 20 0 CBADLP CC[NH+]1CCN(CCNC[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC001120480979 812972734 /nfs/dbraw/zinc/97/27/34/812972734.db2.gz JREMMLNMRUTPFW-HNNXBMFYSA-N 2 2 284.448 -0.331 20 0 CBADLP Cc1nc(N[C@H](CO)CNC(=O)[C@H]2CCC[N@H+]2C)cc[nH+]1 ZINC001121241723 813056075 /nfs/dbraw/zinc/05/60/75/813056075.db2.gz OAZOEQGADDFZTG-NWDGAFQWSA-N 2 2 293.371 -0.232 20 0 CBADLP Cc1nc(N[C@H](CO)CNC(=O)[C@H]2CCC[N@@H+]2C)cc[nH+]1 ZINC001121241723 813056084 /nfs/dbraw/zinc/05/60/84/813056084.db2.gz OAZOEQGADDFZTG-NWDGAFQWSA-N 2 2 293.371 -0.232 20 0 CBADLP [NH3+][C@H](Cc1ccccn1)C(=O)NCCn1cc[nH+]c1 ZINC001121980401 813099152 /nfs/dbraw/zinc/09/91/52/813099152.db2.gz APCXIGJWSGNOBG-GFCCVEGCSA-N 2 2 259.313 -0.036 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C[C@]1(O)CCC[NH2+]C1 ZINC001121991508 813101887 /nfs/dbraw/zinc/10/18/87/813101887.db2.gz SLJDXBAHKSLXLH-WCQYABFASA-N 2 2 266.345 -0.108 20 0 CBADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC001122067299 813111763 /nfs/dbraw/zinc/11/17/63/813111763.db2.gz CCZAYFUQQAEBOG-ONGXEEELSA-N 2 2 252.318 -0.307 20 0 CBADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC001122067299 813111768 /nfs/dbraw/zinc/11/17/68/813111768.db2.gz CCZAYFUQQAEBOG-ONGXEEELSA-N 2 2 252.318 -0.307 20 0 CBADLP [NH3+]CC1(NC(=O)C[C@H]([NH3+])C(F)F)CCOCC1 ZINC001122096084 813116754 /nfs/dbraw/zinc/11/67/54/813116754.db2.gz ODQGQRBYFFGPBF-ZETCQYMHSA-N 2 2 251.277 -0.407 20 0 CBADLP CN1C(=O)CC[C@@H]1C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001122157742 813126293 /nfs/dbraw/zinc/12/62/93/813126293.db2.gz UXIWKPBKLMUJLI-LLVKDONJSA-N 2 2 268.361 -0.854 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC001122206348 813134359 /nfs/dbraw/zinc/13/43/59/813134359.db2.gz YYXCZYBSXOAXRR-GFCCVEGCSA-N 2 2 252.318 -0.427 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC1 ZINC001122239012 813136914 /nfs/dbraw/zinc/13/69/14/813136914.db2.gz MBILVEYUWBFJEH-JLLWLGSASA-N 3 2 252.362 -0.724 20 0 CBADLP COC[C@H](O)C[NH2+]CCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001159537203 815580120 /nfs/dbraw/zinc/58/01/20/815580120.db2.gz PANJHLKURQXIHK-GFCCVEGCSA-N 2 2 284.360 -0.555 20 0 CBADLP COC[C@H](O)C[NH2+]CCCNC(=O)CCc1c[nH+]c[nH]1 ZINC001159537203 815580122 /nfs/dbraw/zinc/58/01/22/815580122.db2.gz PANJHLKURQXIHK-GFCCVEGCSA-N 2 2 284.360 -0.555 20 0 CBADLP C[C@H](NC(=O)C1CC[NH2+]CC1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001122447125 813165362 /nfs/dbraw/zinc/16/53/62/813165362.db2.gz BILZNJRWOZPZIY-AAEUAGOBSA-N 2 2 268.405 -0.264 20 0 CBADLP C[C@H](NC(=O)C1CC[NH2+]CC1)[C@@H]1CN(C)CC[N@H+]1C ZINC001122447125 813165365 /nfs/dbraw/zinc/16/53/65/813165365.db2.gz BILZNJRWOZPZIY-AAEUAGOBSA-N 2 2 268.405 -0.264 20 0 CBADLP CCn1ncc(C[NH2+]CCNC(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001124872717 813492322 /nfs/dbraw/zinc/49/23/22/813492322.db2.gz LYOVWRKQAZRVDG-GFCCVEGCSA-N 2 2 280.376 -0.402 20 0 CBADLP CCn1ncc(C[NH2+]CCNC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001124872717 813492327 /nfs/dbraw/zinc/49/23/27/813492327.db2.gz LYOVWRKQAZRVDG-GFCCVEGCSA-N 2 2 280.376 -0.402 20 0 CBADLP C[C@H]([NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C)c1nnnn1C ZINC001124879129 813493674 /nfs/dbraw/zinc/49/36/74/813493674.db2.gz QFDNLIVCOJPPAS-VHSXEESVSA-N 2 2 281.364 -0.929 20 0 CBADLP C[C@H]([NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C)c1nnnn1C ZINC001124879129 813493676 /nfs/dbraw/zinc/49/36/76/813493676.db2.gz QFDNLIVCOJPPAS-VHSXEESVSA-N 2 2 281.364 -0.929 20 0 CBADLP Cc1cnc(C[NH2+]CCNC(=O)[C@@H]2C[N@H+](C)CCO2)cn1 ZINC001125222847 813536444 /nfs/dbraw/zinc/53/64/44/813536444.db2.gz XOFVGYVTQQUGMB-ZDUSSCGKSA-N 2 2 293.371 -0.679 20 0 CBADLP Cc1cnc(C[NH2+]CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)cn1 ZINC001125222847 813536453 /nfs/dbraw/zinc/53/64/53/813536453.db2.gz XOFVGYVTQQUGMB-ZDUSSCGKSA-N 2 2 293.371 -0.679 20 0 CBADLP COC[C@H](O)C[NH2+]CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001126437226 813647648 /nfs/dbraw/zinc/64/76/48/813647648.db2.gz WNZDSFXSCVCLEO-SNVBAGLBSA-N 2 2 270.333 -0.945 20 0 CBADLP CCNC(=O)C[NH2+]CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001126436717 813647776 /nfs/dbraw/zinc/64/77/76/813647776.db2.gz JDLCXKXRIUXOKD-UHFFFAOYSA-N 2 2 267.333 -0.816 20 0 CBADLP CCCCNC(=O)C[NH2+]CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001126436712 813648333 /nfs/dbraw/zinc/64/83/33/813648333.db2.gz IUULJCCHHLXMDG-UHFFFAOYSA-N 2 2 295.387 -0.036 20 0 CBADLP CN1CCC[C@H]([NH2+]CCNC(=O)CCc2[nH]cc[nH+]2)C1=O ZINC001126436756 813649037 /nfs/dbraw/zinc/64/90/37/813649037.db2.gz KOYQUMSLNZWPNB-NSHDSACASA-N 2 2 293.371 -0.331 20 0 CBADLP O=C(CCc1[nH]cc[nH+]1)NCC[NH2+]CCNC(=O)C1CC1 ZINC001126448781 813650361 /nfs/dbraw/zinc/65/03/61/813650361.db2.gz YLFMKMRXSJHYQG-UHFFFAOYSA-N 2 2 293.371 -0.426 20 0 CBADLP O=C(Cc1cn2c([nH+]1)CCCC2)NCC[NH2+]CCCO ZINC001127777645 813747646 /nfs/dbraw/zinc/74/76/46/813747646.db2.gz AJVKSTCNSNNEGN-UHFFFAOYSA-N 2 2 280.372 -0.150 20 0 CBADLP C[C@@H](O)C[NH2+]CCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001127785867 813749479 /nfs/dbraw/zinc/74/94/79/813749479.db2.gz RMFHICXSXMCBCZ-LLVKDONJSA-N 2 2 280.372 -0.152 20 0 CBADLP CC[NH+](CC)C[C@H](F)C(=O)NCC[NH2+]Cc1cnon1 ZINC001128533865 813780327 /nfs/dbraw/zinc/78/03/27/813780327.db2.gz RZULBDHLRXVZOY-NSHDSACASA-N 2 2 287.339 -0.045 20 0 CBADLP CCN1CC[C@@H]([NH2+]CCNC(=O)CCc2c[nH]c[nH+]2)C1=O ZINC001128967453 813811787 /nfs/dbraw/zinc/81/17/87/813811787.db2.gz QMBSJZVPGGTBIO-GFCCVEGCSA-N 2 2 293.371 -0.331 20 0 CBADLP CCN1CC[C@@H]([NH2+]CCNC(=O)CCc2c[nH+]c[nH]2)C1=O ZINC001128967453 813811797 /nfs/dbraw/zinc/81/17/97/813811797.db2.gz QMBSJZVPGGTBIO-GFCCVEGCSA-N 2 2 293.371 -0.331 20 0 CBADLP CN1CCC[C@@H]([NH2+]CCNC(=O)CCc2c[nH]c[nH+]2)C1=O ZINC001128967735 813812323 /nfs/dbraw/zinc/81/23/23/813812323.db2.gz ZJERARPNYNVTOH-GFCCVEGCSA-N 2 2 293.371 -0.331 20 0 CBADLP CN1CCC[C@@H]([NH2+]CCNC(=O)CCc2c[nH+]c[nH]2)C1=O ZINC001128967735 813812336 /nfs/dbraw/zinc/81/23/36/813812336.db2.gz ZJERARPNYNVTOH-GFCCVEGCSA-N 2 2 293.371 -0.331 20 0 CBADLP CC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001128991873 813813274 /nfs/dbraw/zinc/81/32/74/813813274.db2.gz GCGRXHLOXUOERA-LLVKDONJSA-N 2 2 295.387 -0.037 20 0 CBADLP Cc1nnc(C[NH2+]CCNC(=O)C2([NH+](C)C)CCC2)[nH]1 ZINC001129358904 813841008 /nfs/dbraw/zinc/84/10/08/813841008.db2.gz YHTSMZUCXQETDU-UHFFFAOYSA-N 2 2 280.376 -0.197 20 0 CBADLP Cc1nonc1C[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001129435662 813843580 /nfs/dbraw/zinc/84/35/80/813843580.db2.gz ILILXYQBGCOTDD-GFCCVEGCSA-N 2 2 281.360 -0.076 20 0 CBADLP O=C(NCC[NH2+][C@@H]1CCCNC1=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001129891949 813875669 /nfs/dbraw/zinc/87/56/69/813875669.db2.gz ZLHAIDCAYCMPST-GMTAPVOTSA-N 2 2 291.355 -0.502 20 0 CBADLP Cc1cn(C(C)(C)C(=O)NCC[NH2+]CC(=O)N(C)C)c[nH+]1 ZINC001130165028 813913487 /nfs/dbraw/zinc/91/34/87/813913487.db2.gz JFLMZYWPYUHTPO-UHFFFAOYSA-N 2 2 295.387 -0.279 20 0 CBADLP COC[C@H](O)C[NH2+]CCNC(=O)Cc1c[nH+]ccc1OC ZINC001130173278 813913498 /nfs/dbraw/zinc/91/34/98/813913498.db2.gz FQAAFYDZBDXNNB-GFCCVEGCSA-N 2 2 297.355 -0.654 20 0 CBADLP O=C(NCC[NH2+]CCO)[C@H]1CCn2c[nH+]cc2C1 ZINC001130406814 813936022 /nfs/dbraw/zinc/93/60/22/813936022.db2.gz FVHFEDVMXZLOOJ-JTQLQIEISA-N 2 2 252.318 -0.856 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001130484344 813943054 /nfs/dbraw/zinc/94/30/54/813943054.db2.gz LDNSBUCCDGVOFA-MNOVXSKESA-N 2 2 293.371 -0.714 20 0 CBADLP CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001130487611 813943087 /nfs/dbraw/zinc/94/30/87/813943087.db2.gz ICGNTDKOQMNDKY-NSHDSACASA-N 2 2 293.371 -0.713 20 0 CBADLP CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001130477121 813943292 /nfs/dbraw/zinc/94/32/92/813943292.db2.gz AWXYSORJMZUJKP-NSHDSACASA-N 2 2 293.371 -0.713 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001130484343 813943549 /nfs/dbraw/zinc/94/35/49/813943549.db2.gz LDNSBUCCDGVOFA-GHMZBOCLSA-N 2 2 293.371 -0.714 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001130487463 813943917 /nfs/dbraw/zinc/94/39/17/813943917.db2.gz GUIGLHXVYATORZ-QWRGUYRKSA-N 2 2 293.371 -0.714 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001130487457 813943981 /nfs/dbraw/zinc/94/39/81/813943981.db2.gz GUIGLHXVYATORZ-GHMZBOCLSA-N 2 2 293.371 -0.714 20 0 CBADLP O=C(NCC[NH2+][C@H]1CCNC1=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001130480793 813944055 /nfs/dbraw/zinc/94/40/55/813944055.db2.gz CRDZSSHGAMJGOJ-MNOVXSKESA-N 2 2 291.355 -0.960 20 0 CBADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC[NH2+][C@H](C)C(N)=O)C2 ZINC001130491270 813945402 /nfs/dbraw/zinc/94/54/02/813945402.db2.gz OWSZUCGNQYRVMB-PSASIEDQSA-N 2 2 293.371 -0.597 20 0 CBADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)NCC[NH2+][C@H](C)C(N)=O)CC2 ZINC001130491270 813945406 /nfs/dbraw/zinc/94/54/06/813945406.db2.gz OWSZUCGNQYRVMB-PSASIEDQSA-N 2 2 293.371 -0.597 20 0 CBADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC[NH2+]C[C@H](C)O)C2 ZINC001130491654 813945540 /nfs/dbraw/zinc/94/55/40/813945540.db2.gz YBMCLXVBIOLIKV-GXSJLCMTSA-N 2 2 280.372 -0.090 20 0 CBADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)NCC[NH2+]C[C@H](C)O)CC2 ZINC001130491654 813945543 /nfs/dbraw/zinc/94/55/43/813945543.db2.gz YBMCLXVBIOLIKV-GXSJLCMTSA-N 2 2 280.372 -0.090 20 0 CBADLP O=C(NCC[NH2+][C@@H]1CCNC1=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001130488111 813945690 /nfs/dbraw/zinc/94/56/90/813945690.db2.gz NAQSYNLTHJKRNV-CMPLNLGQSA-N 2 2 291.355 -0.960 20 0 CBADLP O=C(NCC[NH2+][C@H]1CCNC1=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001130488113 813945699 /nfs/dbraw/zinc/94/56/99/813945699.db2.gz NAQSYNLTHJKRNV-JQWIXIFHSA-N 2 2 291.355 -0.960 20 0 CBADLP O=C(NCC[NH2+]CCOCCO)[C@@H]1CCc2c[nH+]cn2C1 ZINC001130488575 813946223 /nfs/dbraw/zinc/94/62/23/813946223.db2.gz RQYODMGGKOYPQH-GFCCVEGCSA-N 2 2 296.371 -0.840 20 0 CBADLP C[C@@H]([NH2+]CCNC(=O)c1cccc2[nH+]ccn21)C(N)=O ZINC001131270161 814016062 /nfs/dbraw/zinc/01/60/62/814016062.db2.gz DYOSXSXHTSYBLY-SECBINFHSA-N 2 2 275.312 -0.473 20 0 CBADLP CCNC(=O)C[NH2+]CCNC(=O)c1cccc2[nH+]ccn21 ZINC001131270179 814016180 /nfs/dbraw/zinc/01/61/80/814016180.db2.gz FHBXSOBSPSFTSW-UHFFFAOYSA-N 2 2 289.339 -0.210 20 0 CBADLP CCN(C)C(=O)C[NH2+]CCNC(=O)CCc1[nH+]ccn1C ZINC001131639218 814049211 /nfs/dbraw/zinc/04/92/11/814049211.db2.gz CGMHZJGTJFXRLT-UHFFFAOYSA-N 2 2 295.387 -0.463 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)NCC[NH2+][C@@H]1CCCNC1=O ZINC001131639413 814050213 /nfs/dbraw/zinc/05/02/13/814050213.db2.gz GWDATKNRNYNTHF-LLVKDONJSA-N 2 2 293.371 -0.663 20 0 CBADLP O=C(NCC[NH2+]CCO)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC001131825086 814072236 /nfs/dbraw/zinc/07/22/36/814072236.db2.gz KYECOCGZBNNTKG-CYBMUJFWSA-N 2 2 285.388 -0.815 20 0 CBADLP O=C(NCC[NH2+]CCO)[C@H]1COCC[N@H+]1CC1CCC1 ZINC001131825086 814072244 /nfs/dbraw/zinc/07/22/44/814072244.db2.gz KYECOCGZBNNTKG-CYBMUJFWSA-N 2 2 285.388 -0.815 20 0 CBADLP CN1CCC[C@@H]([NH2+]CCNC(=O)CCn2cc[nH+]c2)C1=O ZINC001132079926 814099537 /nfs/dbraw/zinc/09/95/37/814099537.db2.gz SUHGHHDHYYEIMG-GFCCVEGCSA-N 2 2 293.371 -0.400 20 0 CBADLP C[C@H]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C[N@@H+]1CC(N)=O ZINC001132107155 814101981 /nfs/dbraw/zinc/10/19/81/814101981.db2.gz YCWPJGKCZKUWRO-NWDGAFQWSA-N 2 2 296.415 -0.075 20 0 CBADLP C[C@H]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C[N@H+]1CC(N)=O ZINC001132107155 814101987 /nfs/dbraw/zinc/10/19/87/814101987.db2.gz YCWPJGKCZKUWRO-NWDGAFQWSA-N 2 2 296.415 -0.075 20 0 CBADLP C[C@H]1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C[NH+]1CC(N)=O ZINC001132107155 814101992 /nfs/dbraw/zinc/10/19/92/814101992.db2.gz YCWPJGKCZKUWRO-NWDGAFQWSA-N 2 2 296.415 -0.075 20 0 CBADLP C[C@H]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C[NH+]1CC(N)=O ZINC001132107155 814102000 /nfs/dbraw/zinc/10/20/00/814102000.db2.gz YCWPJGKCZKUWRO-NWDGAFQWSA-N 2 2 296.415 -0.075 20 0 CBADLP Cc1nnc(C[NH2+]CCNC(=O)C2(C[NH+](C)C)CC2)o1 ZINC001132993423 814206540 /nfs/dbraw/zinc/20/65/40/814206540.db2.gz TUELOHPKNQGZFM-UHFFFAOYSA-N 2 2 281.360 -0.074 20 0 CBADLP Cc1noc(C[NH2+]CCNC(=O)CCC[NH+](C)C)n1 ZINC001133040474 814212892 /nfs/dbraw/zinc/21/28/92/814212892.db2.gz SNJKPHWSWIDHAX-UHFFFAOYSA-N 2 2 269.349 -0.074 20 0 CBADLP C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C[NH2+]CC(N)=O ZINC001133194459 814225910 /nfs/dbraw/zinc/22/59/10/814225910.db2.gz GAMCDNOVTDNCEO-QWRGUYRKSA-N 2 2 293.371 -0.488 20 0 CBADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+]C(C)C ZINC001133255697 814234038 /nfs/dbraw/zinc/23/40/38/814234038.db2.gz UITCIHBPUSCODJ-LBPRGKRZSA-N 2 2 281.360 -0.429 20 0 CBADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[NH2+]C(C)C ZINC001133255697 814234047 /nfs/dbraw/zinc/23/40/47/814234047.db2.gz UITCIHBPUSCODJ-LBPRGKRZSA-N 2 2 281.360 -0.429 20 0 CBADLP C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+]CC(N)=O ZINC001133354324 814247438 /nfs/dbraw/zinc/24/74/38/814247438.db2.gz OQQCBMPPVOQGRQ-VXGBXAGGSA-N 2 2 293.371 -0.557 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]Cc1cnsn1 ZINC001133862895 814311139 /nfs/dbraw/zinc/31/11/39/814311139.db2.gz HWLHFWYOHQRLRZ-KOLCDFICSA-N 2 2 283.401 -0.058 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]Cc1cnsn1 ZINC001133862895 814311150 /nfs/dbraw/zinc/31/11/50/814311150.db2.gz HWLHFWYOHQRLRZ-KOLCDFICSA-N 2 2 283.401 -0.058 20 0 CBADLP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]Cc1cnon1 ZINC001133863552 814311664 /nfs/dbraw/zinc/31/16/64/814311664.db2.gz NXVGMWOTPHFIMJ-ONGXEEELSA-N 2 2 267.333 -0.527 20 0 CBADLP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]Cc1cnon1 ZINC001133863552 814311672 /nfs/dbraw/zinc/31/16/72/814311672.db2.gz NXVGMWOTPHFIMJ-ONGXEEELSA-N 2 2 267.333 -0.527 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]Cc1cnon1 ZINC001133863550 814311696 /nfs/dbraw/zinc/31/16/96/814311696.db2.gz NXVGMWOTPHFIMJ-KOLCDFICSA-N 2 2 267.333 -0.527 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]Cc1cnon1 ZINC001133863550 814311702 /nfs/dbraw/zinc/31/17/02/814311702.db2.gz NXVGMWOTPHFIMJ-KOLCDFICSA-N 2 2 267.333 -0.527 20 0 CBADLP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]Cc1ncccn1 ZINC001133869689 814312757 /nfs/dbraw/zinc/31/27/57/814312757.db2.gz JMJOKJZLGXFTTL-NWDGAFQWSA-N 2 2 277.372 -0.120 20 0 CBADLP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]Cc1ncccn1 ZINC001133869689 814312765 /nfs/dbraw/zinc/31/27/65/814312765.db2.gz JMJOKJZLGXFTTL-NWDGAFQWSA-N 2 2 277.372 -0.120 20 0 CBADLP Cc1nonc1C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001133868147 814313269 /nfs/dbraw/zinc/31/32/69/814313269.db2.gz ZWWMXIFUVNISIZ-GXSJLCMTSA-N 2 2 281.360 -0.218 20 0 CBADLP Cc1nonc1C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001133868147 814313273 /nfs/dbraw/zinc/31/32/73/814313273.db2.gz ZWWMXIFUVNISIZ-GXSJLCMTSA-N 2 2 281.360 -0.218 20 0 CBADLP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]Cc1ncccn1 ZINC001133869690 814316314 /nfs/dbraw/zinc/31/63/14/814316314.db2.gz JMJOKJZLGXFTTL-RYUDHWBXSA-N 2 2 277.372 -0.120 20 0 CBADLP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]Cc1ncccn1 ZINC001133869690 814316324 /nfs/dbraw/zinc/31/63/24/814316324.db2.gz JMJOKJZLGXFTTL-RYUDHWBXSA-N 2 2 277.372 -0.120 20 0 CBADLP CNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001134227531 814365282 /nfs/dbraw/zinc/36/52/82/814365282.db2.gz IILOZBNGXOZYRT-GHMZBOCLSA-N 2 2 295.387 -0.039 20 0 CBADLP CN1CCC[C@@H]([NH2+]CCNC(=O)Cc2c[nH]c[nH+]2)C1=O ZINC001134392916 814378705 /nfs/dbraw/zinc/37/87/05/814378705.db2.gz BJUJWSVQQZGTTQ-LLVKDONJSA-N 2 2 279.344 -0.721 20 0 CBADLP CN(C(=O)C[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001134399511 814379566 /nfs/dbraw/zinc/37/95/66/814379566.db2.gz BEKNABDRUNHBJP-UHFFFAOYSA-N 2 2 279.344 -0.721 20 0 CBADLP CCN1CC[C@H]([NH2+]CCNC(=O)Cc2c[nH]c[nH+]2)C1=O ZINC001134396667 814380003 /nfs/dbraw/zinc/38/00/03/814380003.db2.gz CHSHQSLEMLHFIK-NSHDSACASA-N 2 2 279.344 -0.721 20 0 CBADLP Cc1noc(CCC[NH2+]CCNC(=O)Cc2c[nH]c[nH+]2)n1 ZINC001134393687 814380900 /nfs/dbraw/zinc/38/09/00/814380900.db2.gz RNBZJOOSZKBKHC-UHFFFAOYSA-N 2 2 292.343 -0.018 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NCC[NH2+]C[C@@H]1CCOC1 ZINC001134397098 814381701 /nfs/dbraw/zinc/38/17/01/814381701.db2.gz IYMOQDTUKIKIQX-JTQLQIEISA-N 2 2 252.318 -0.306 20 0 CBADLP CC(C)N(C)C(=O)C[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001134406786 814382589 /nfs/dbraw/zinc/38/25/89/814382589.db2.gz AYMLPPWFNWDZCI-UHFFFAOYSA-N 2 2 281.360 -0.475 20 0 CBADLP C[C@H](CC(=O)NCC[NH2+]CC(=O)N1CCC1)n1cc[nH+]c1 ZINC001134494754 814388664 /nfs/dbraw/zinc/38/86/64/814388664.db2.gz GVLFVWMQZFKDES-GFCCVEGCSA-N 2 2 293.371 -0.228 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001134499187 814389575 /nfs/dbraw/zinc/38/95/75/814389575.db2.gz XYFXDCMNFMQVEH-QWRGUYRKSA-N 2 2 281.360 -0.326 20 0 CBADLP C[C@H](C[C@H](C)[NH2+]CC(N)=O)NC(=O)CCc1c[nH]c[nH+]1 ZINC001134544947 814395250 /nfs/dbraw/zinc/39/52/50/814395250.db2.gz KHDOHCNAANPCKI-VHSXEESVSA-N 2 2 281.360 -0.300 20 0 CBADLP C[C@H](C[C@H](C)[NH2+]CC(N)=O)NC(=O)CCc1c[nH+]c[nH]1 ZINC001134544947 814395257 /nfs/dbraw/zinc/39/52/57/814395257.db2.gz KHDOHCNAANPCKI-VHSXEESVSA-N 2 2 281.360 -0.300 20 0 CBADLP C[C@H](C[C@H](C)[NH2+]CC(N)=O)NC(=O)CCc1[nH+]ccn1C ZINC001135057381 814433478 /nfs/dbraw/zinc/43/34/78/814433478.db2.gz UGXLWLKCBYMRRW-WDEREUQCSA-N 2 2 295.387 -0.289 20 0 CBADLP C[C@@H]([NH2+]CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C(N)=O ZINC001135071355 814435013 /nfs/dbraw/zinc/43/50/13/814435013.db2.gz FDEPYCLREWPAIJ-DTWKUNHWSA-N 2 2 267.333 -0.832 20 0 CBADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+][C@H]1CCNC1=O ZINC001135080174 814435222 /nfs/dbraw/zinc/43/52/22/814435222.db2.gz MCZCANKYWNPLSW-ONGXEEELSA-N 2 2 279.344 -0.817 20 0 CBADLP CC(C)NC(=O)C[NH2+]CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001135080000 814435346 /nfs/dbraw/zinc/43/53/46/814435346.db2.gz IXCRCSAOBHWHBO-NSHDSACASA-N 2 2 295.387 -0.181 20 0 CBADLP COCC[NH2+]CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001135071702 814435501 /nfs/dbraw/zinc/43/55/01/814435501.db2.gz IQAQPNPBALKVFZ-JTQLQIEISA-N 2 2 254.334 -0.060 20 0 CBADLP COCC[NH2+]CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001135071702 814435505 /nfs/dbraw/zinc/43/55/05/814435505.db2.gz IQAQPNPBALKVFZ-JTQLQIEISA-N 2 2 254.334 -0.060 20 0 CBADLP CNC(=O)C[NH2+]CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001135072548 814436245 /nfs/dbraw/zinc/43/62/45/814436245.db2.gz ZSFFIPROFXAPSO-VIFPVBQESA-N 2 2 267.333 -0.960 20 0 CBADLP CC[C@H]([NH2+]CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C(N)=O ZINC001135080457 814436341 /nfs/dbraw/zinc/43/63/41/814436341.db2.gz UKYVPGLNUSALIA-ONGXEEELSA-N 2 2 281.360 -0.442 20 0 CBADLP CC[C@H]([NH2+]CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C(N)=O ZINC001135080457 814436342 /nfs/dbraw/zinc/43/63/42/814436342.db2.gz UKYVPGLNUSALIA-ONGXEEELSA-N 2 2 281.360 -0.442 20 0 CBADLP O=C(CC[NH+]1CCOCC1)NCC[NH2+]Cc1ccon1 ZINC001135341128 814465343 /nfs/dbraw/zinc/46/53/43/814465343.db2.gz OCNOSKGLOSCFIE-UHFFFAOYSA-N 2 2 282.344 -0.397 20 0 CBADLP CC[NH+](CC)CC(=O)NCC[NH2+]Cc1nnnn1C(C)C ZINC001135507941 814478723 /nfs/dbraw/zinc/47/87/23/814478723.db2.gz CNPVFRWJGHUFKJ-UHFFFAOYSA-N 2 2 297.407 -0.198 20 0 CBADLP CNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001160326831 815616448 /nfs/dbraw/zinc/61/64/48/815616448.db2.gz PTBTWVUMZNQHQY-NXEZZACHSA-N 2 2 279.344 -0.645 20 0 CBADLP CNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001160326831 815616455 /nfs/dbraw/zinc/61/64/55/815616455.db2.gz PTBTWVUMZNQHQY-NXEZZACHSA-N 2 2 279.344 -0.645 20 0 CBADLP CCN1CC[C@@H]([NH2+]CCNC(=O)Cc2[nH]cc[nH+]2)C1=O ZINC001135757725 814519405 /nfs/dbraw/zinc/51/94/05/814519405.db2.gz NAFYRZZVLCHZFU-SNVBAGLBSA-N 2 2 279.344 -0.721 20 0 CBADLP CS(=O)(=O)CCC[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001135757659 814520177 /nfs/dbraw/zinc/52/01/77/814520177.db2.gz JVRIPZWHELRTNA-UHFFFAOYSA-N 2 2 288.373 -0.907 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NCC[NH2+]CC(=O)N1CCCCC1 ZINC001135761117 814521098 /nfs/dbraw/zinc/52/10/98/814521098.db2.gz ZDSXGHJHFDYCEJ-UHFFFAOYSA-N 2 2 293.371 -0.330 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NCC[NH2+]CCOC[C@@H]1CCCO1 ZINC001135760079 814522274 /nfs/dbraw/zinc/52/22/74/814522274.db2.gz IIIDHBBRQSXSPF-LBPRGKRZSA-N 2 2 296.371 -0.146 20 0 CBADLP C[C@H](C[C@@H](C)[NH2+]CCO)NC(=O)Cc1[nH]cc[nH+]1 ZINC001135798743 814528974 /nfs/dbraw/zinc/52/89/74/814528974.db2.gz LRZXQDRDJRKLHE-NXEZZACHSA-N 2 2 254.334 -0.183 20 0 CBADLP CNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001135945069 814539685 /nfs/dbraw/zinc/53/96/85/814539685.db2.gz UTFNHHSOGAURTK-WDEREUQCSA-N 2 2 295.387 -0.419 20 0 CBADLP C[N@H+](CC(=O)NCCn1cc[nH+]c1)[C@@H]1CCC[C@H]1O ZINC001136212521 814559205 /nfs/dbraw/zinc/55/92/05/814559205.db2.gz DBBTTWNTFWAOTG-VXGBXAGGSA-N 2 2 266.345 -0.156 20 0 CBADLP C[N@@H+](CC(=O)NCCn1cc[nH+]c1)[C@@H]1CCC[C@H]1O ZINC001136212521 814559211 /nfs/dbraw/zinc/55/92/11/814559211.db2.gz DBBTTWNTFWAOTG-VXGBXAGGSA-N 2 2 266.345 -0.156 20 0 CBADLP C[NH+](C)CCN1CC[N@H+](Cc2cnc(N)nc2)CCC1=O ZINC001138166149 814602233 /nfs/dbraw/zinc/60/22/33/814602233.db2.gz GRASZVJGTXXVHM-UHFFFAOYSA-N 2 2 292.387 -0.345 20 0 CBADLP C[NH+](C)CCN1CC[N@@H+](Cc2cnc(N)nc2)CCC1=O ZINC001138166149 814602241 /nfs/dbraw/zinc/60/22/41/814602241.db2.gz GRASZVJGTXXVHM-UHFFFAOYSA-N 2 2 292.387 -0.345 20 0 CBADLP COC[C@]12CCCO[C@@H]1CCN(C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])C2 ZINC001159635577 815581933 /nfs/dbraw/zinc/58/19/33/815581933.db2.gz PBYXEIAVJIKYTO-RMRHIDDWSA-N 2 2 297.399 -0.423 20 0 CBADLP COC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])C2 ZINC001159635579 815582699 /nfs/dbraw/zinc/58/26/99/815582699.db2.gz PBYXEIAVJIKYTO-XPCVCDNBSA-N 2 2 297.399 -0.423 20 0 CBADLP CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)C1C[NH+](C)C1 ZINC001142594562 814720425 /nfs/dbraw/zinc/72/04/25/814720425.db2.gz QRESXEZBRVVBEK-UONOGXRCSA-N 2 2 280.416 -0.215 20 0 CBADLP CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)C1C[NH+](C)C1 ZINC001142594562 814720432 /nfs/dbraw/zinc/72/04/32/814720432.db2.gz QRESXEZBRVVBEK-UONOGXRCSA-N 2 2 280.416 -0.215 20 0 CBADLP O=C(NCC[NH+]1CC2(COC2)C1)[C@@H]1CC2CC[NH+]1CC2 ZINC001142635585 814727969 /nfs/dbraw/zinc/72/79/69/814727969.db2.gz ORBSJRXEKLBEQD-ZDUSSCGKSA-N 2 2 279.384 -0.081 20 0 CBADLP COc1cccc(C[C@H]([NH3+])C(=O)NC2C[NH+](C)C2)c1 ZINC001144942712 814778873 /nfs/dbraw/zinc/77/88/73/814778873.db2.gz LSGCHAZLZNIZBX-ZDUSSCGKSA-N 2 2 263.341 -0.005 20 0 CBADLP C[C@H](C[C@H](C)[NH2+]CCOCCO)NC(=O)Cn1cc[nH+]c1 ZINC001146755164 814846420 /nfs/dbraw/zinc/84/64/20/814846420.db2.gz HOTBJYBKIAWYJK-QWHCGFSZSA-N 2 2 298.387 -0.235 20 0 CBADLP C[C@H](C[C@H](C)NC(=O)Cn1cc[nH+]c1)[NH2+]CC(N)=O ZINC001146759454 814846891 /nfs/dbraw/zinc/84/68/91/814846891.db2.gz WIYICKJZUGXCMO-ZJUUUORDSA-N 2 2 267.333 -0.759 20 0 CBADLP CNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001146772106 814847077 /nfs/dbraw/zinc/84/70/77/814847077.db2.gz QFBQLMFHBVXDCX-QWRGUYRKSA-N 2 2 281.360 -0.498 20 0 CBADLP C[NH+](C)CCOCC(=O)NCC[NH2+]Cc1csnn1 ZINC001147841318 814918855 /nfs/dbraw/zinc/91/88/55/814918855.db2.gz DZTIDVRAZWCRHA-UHFFFAOYSA-N 2 2 287.389 -0.678 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NCC[NH2+][C@@H]1CCCN(C)C1=O ZINC001147871556 814920345 /nfs/dbraw/zinc/92/03/45/814920345.db2.gz BLWWRBQLCSLVFW-GFCCVEGCSA-N 2 2 293.371 -0.711 20 0 CBADLP Cc1noc(C[NH2+]CCNC(=O)C[C@H]2CC[N@@H+](C)C2)n1 ZINC001147878456 814922167 /nfs/dbraw/zinc/92/21/67/814922167.db2.gz ZGIRECFKUUANPA-LLVKDONJSA-N 2 2 281.360 -0.074 20 0 CBADLP Cc1noc(C[NH2+]CCNC(=O)C[C@H]2CC[N@H+](C)C2)n1 ZINC001147878456 814922171 /nfs/dbraw/zinc/92/21/71/814922171.db2.gz ZGIRECFKUUANPA-LLVKDONJSA-N 2 2 281.360 -0.074 20 0 CBADLP CC(C)CNC(=O)C[NH2+]CCNC(=O)Cc1c[nH+]cn1C ZINC001147878472 814922680 /nfs/dbraw/zinc/92/26/80/814922680.db2.gz ZOJDAIICBATECT-UHFFFAOYSA-N 2 2 295.387 -0.559 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NCC[NH2+]Cc1cnns1 ZINC001147878275 814922943 /nfs/dbraw/zinc/92/29/43/814922943.db2.gz XECSEMZFYFVVEW-UHFFFAOYSA-N 2 2 280.357 -0.280 20 0 CBADLP CN(CC1CC[NH+](C)CC1)C(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160454327 815623302 /nfs/dbraw/zinc/62/33/02/815623302.db2.gz MNTWOIRZZPXTHB-DZGCQCFKSA-N 3 2 280.416 -0.262 20 0 CBADLP C[NH2+]CC1CCN(C(=O)C[C@H]([NH3+])C(=O)OC)CC1 ZINC001160456101 815624892 /nfs/dbraw/zinc/62/48/92/815624892.db2.gz BEFHUJFTLIIOLR-JTQLQIEISA-N 2 2 257.334 -0.665 20 0 CBADLP Cc1cc(CN(C)C(=O)C2([NH3+])CC[NH2+]CC2)n(C)n1 ZINC001160474359 815626836 /nfs/dbraw/zinc/62/68/36/815626836.db2.gz CJCAAHDJIXTWGN-UHFFFAOYSA-N 2 2 265.361 -0.232 20 0 CBADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CCn2cccc2C1 ZINC001160476599 815628066 /nfs/dbraw/zinc/62/80/66/815628066.db2.gz JCJCMKDMWPVACD-WCFLWFBJSA-N 2 2 260.341 -0.220 20 0 CBADLP O=C(N1CCn2cccc2C1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160477016 815628495 /nfs/dbraw/zinc/62/84/95/815628495.db2.gz RDZLXTFTSMVDEO-RISCZKNCSA-N 2 2 260.341 -0.218 20 0 CBADLP [NH3+]C[C@@]1(Nc2ncnc3c2CC[NH2+]C3)C[NH+]2CCC1CC2 ZINC001160511267 815631139 /nfs/dbraw/zinc/63/11/39/815631139.db2.gz NMVXTLWPKIOQOK-OAHLLOKOSA-N 3 2 288.399 -0.043 20 0 CBADLP [NH3+]C[C@@]1(Nc2ncc3c(n2)C[NH2+]C3)C[NH+]2CCC1CC2 ZINC001160513127 815632394 /nfs/dbraw/zinc/63/23/94/815632394.db2.gz KJKFEIPUCLKZQX-CQSZACIVSA-N 3 2 274.372 -0.085 20 0 CBADLP Cn1cc2c(n1)CCN(C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C)C2 ZINC001160557652 815637319 /nfs/dbraw/zinc/63/73/19/815637319.db2.gz XCOHLJFGCFQTMH-LBPRGKRZSA-N 2 2 288.355 -0.392 20 0 CBADLP Cn1ncc2c1CN(C(=O)[C@]13C[NH2+]C[C@@H]1CC[NH2+]3)C2 ZINC001160565180 815638795 /nfs/dbraw/zinc/63/87/95/815638795.db2.gz NXGSEHVQWNJNAR-GWCFXTLKSA-N 2 2 261.329 -0.786 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CCC2(CCC(=O)O2)CC1 ZINC001160578050 815639771 /nfs/dbraw/zinc/63/97/71/815639771.db2.gz SCFKQFFHDIIPAJ-UWVGGRQHSA-N 2 2 267.329 -0.769 20 0 CBADLP [NH3+]C1(C(=O)N2CCC[C@@H](CCO)C2)CC[NH2+]CC1 ZINC001160611850 815645659 /nfs/dbraw/zinc/64/56/59/815645659.db2.gz XISMOCVDCHWNCV-NSHDSACASA-N 2 2 255.362 -0.312 20 0 CBADLP COC(=O)[C@]1(C)CCCN(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)C1 ZINC001160635156 815646378 /nfs/dbraw/zinc/64/63/78/815646378.db2.gz GNGKLNSPWPUFPT-GBIKHYSHSA-N 2 2 269.345 -0.523 20 0 CBADLP [NH3+]C1(C(=O)N2CCC[C@H](n3cncn3)C2)CC[NH2+]CC1 ZINC001160637377 815647297 /nfs/dbraw/zinc/64/72/97/815647297.db2.gz MLMQTXLMXKJLRP-NSHDSACASA-N 2 2 278.360 -0.478 20 0 CBADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC001160637395 815647540 /nfs/dbraw/zinc/64/75/40/815647540.db2.gz MYONOIAPNYDVFO-NEPJUHHUSA-N 2 2 289.343 -0.265 20 0 CBADLP C[C@@H]1C[C@H](O)CCN1C(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160655818 815653142 /nfs/dbraw/zinc/65/31/42/815653142.db2.gz PKFHWIXHESEUBA-UZWSLXQKSA-N 2 2 253.346 -0.690 20 0 CBADLP C[C@@H]1C[C@H](O)CCN1C(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160655819 815653525 /nfs/dbraw/zinc/65/35/25/815653525.db2.gz PKFHWIXHESEUBA-XZUYRWCXSA-N 2 2 253.346 -0.690 20 0 CBADLP CC1(C)CN(C2CN(C(=O)C3([NH3+])CC[NH2+]CC3)C2)CCO1 ZINC001160663216 815654426 /nfs/dbraw/zinc/65/44/26/815654426.db2.gz JUVYDUZVEWVHOK-UHFFFAOYSA-N 2 2 296.415 -0.611 20 0 CBADLP CC1([NH+]2CCOCC2)CCN(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)CC1 ZINC001160669853 815655855 /nfs/dbraw/zinc/65/58/55/815655855.db2.gz NKEMZXROUYGUIR-OLZOCXBDSA-N 3 2 296.415 -0.611 20 0 CBADLP CN(CC[NH+]1CCCC1)C(=O)[C@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001160687829 815657572 /nfs/dbraw/zinc/65/75/72/815657572.db2.gz JFWBEUAHRBOTFD-CQSZACIVSA-N 3 2 297.447 -0.709 20 0 CBADLP C[N@H+]1C[C@H]2CN(C(=O)[C@H]([NH3+])Cc3c[nH+]c[nH]3)C[C@H]2C1 ZINC001160704896 815662360 /nfs/dbraw/zinc/66/23/60/815662360.db2.gz QHUQROXNCPHACU-JFGNBEQYSA-N 3 2 263.345 -0.701 20 0 CBADLP C[N@@H+]1C[C@H]2CN(C(=O)[C@H]([NH3+])Cc3c[nH+]c[nH]3)C[C@H]2C1 ZINC001160704896 815662364 /nfs/dbraw/zinc/66/23/64/815662364.db2.gz QHUQROXNCPHACU-JFGNBEQYSA-N 3 2 263.345 -0.701 20 0 CBADLP O=C([C@H]1[NH2+]CC[C@H]1O)N1CCC(n2cc[nH+]c2)CC1 ZINC001160731909 815664543 /nfs/dbraw/zinc/66/45/43/815664543.db2.gz YCFZDBAHAROVMO-NEPJUHHUSA-N 2 2 264.329 -0.231 20 0 CBADLP C[S@](=O)CC[C@H]([NH3+])C(=O)N1CCc2[nH+]ccn2CC1 ZINC001160760136 815669027 /nfs/dbraw/zinc/66/90/27/815669027.db2.gz DQTUSJYNBFYTQR-OVWNDWIMSA-N 2 2 284.385 -0.636 20 0 CBADLP O=C(N1CCc2[nH+]ccn2CC1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001160760280 815669139 /nfs/dbraw/zinc/66/91/39/815669139.db2.gz JOSZRXCHJSXXQX-IUODEOHRSA-N 3 2 289.383 -0.533 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCC3(C[C@@H](F)CO3)CC2)C1 ZINC001160786365 815672375 /nfs/dbraw/zinc/67/23/75/815672375.db2.gz CJLCKJKQGHSVML-MXWKQRLJSA-N 2 2 271.336 -0.205 20 0 CBADLP COC(=O)[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)C2 ZINC001160819950 815674859 /nfs/dbraw/zinc/67/48/59/815674859.db2.gz PBYREJDBSPZMIK-SVNGYHJRSA-N 2 2 281.356 -0.524 20 0 CBADLP COC(=O)C[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)C1 ZINC001160833796 815675782 /nfs/dbraw/zinc/67/57/82/815675782.db2.gz UMDNSYBXUSSOIC-AXFHLTTASA-N 2 2 269.345 -0.523 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCOC[C@@H]1C[NH+](C)C ZINC001160837323 815676306 /nfs/dbraw/zinc/67/63/06/815676306.db2.gz HXRCDPZRBCUHKI-STQMWFEESA-N 3 2 295.387 -0.921 20 0 CBADLP N[C@@]1(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)CC[NH2+]C1 ZINC001160849611 815678797 /nfs/dbraw/zinc/67/87/97/815678797.db2.gz RVGXZCFJYDKJSF-ZDUSSCGKSA-N 2 2 263.345 -0.194 20 0 CBADLP O=C(N(CCO)CC(F)(F)F)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160908998 815687210 /nfs/dbraw/zinc/68/72/10/815687210.db2.gz HZIACDMETYJHCZ-WCBMZHEXSA-N 2 2 281.278 -0.679 20 0 CBADLP O=C(N(CCO)CC(F)(F)F)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160908996 815687573 /nfs/dbraw/zinc/68/75/73/815687573.db2.gz HZIACDMETYJHCZ-PSASIEDQSA-N 2 2 281.278 -0.679 20 0 CBADLP C[C@H]1CN(C)C(=O)CN1C(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001160940456 815688931 /nfs/dbraw/zinc/68/89/31/815688931.db2.gz DMOOUNLUXFPVGZ-GWCFXTLKSA-N 2 2 290.367 -0.052 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCOC[C@@H]2c2cccnc2)C1 ZINC001160950741 815689917 /nfs/dbraw/zinc/68/99/17/815689917.db2.gz GWWGMYYKGCZOPG-FRRDWIJNSA-N 2 2 276.340 -0.329 20 0 CBADLP CC(C)(C)C(=O)N1CCN(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)CC1 ZINC001160948276 815690186 /nfs/dbraw/zinc/69/01/86/815690186.db2.gz KZSSLZCLUUEOSG-MNOVXSKESA-N 2 2 282.388 -0.608 20 0 CBADLP C[C@H]1CN(C)C(=O)CN1C(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001160940458 815690397 /nfs/dbraw/zinc/69/03/97/815690397.db2.gz DMOOUNLUXFPVGZ-GXFFZTMASA-N 2 2 290.367 -0.052 20 0 CBADLP CSc1ncc2c(n1)CN(C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)CC2 ZINC001160941704 815690504 /nfs/dbraw/zinc/69/05/04/815690504.db2.gz OXRXPMSRRRJNOC-ZJUUUORDSA-N 2 2 293.396 -0.228 20 0 CBADLP [NH3+][C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)CC(F)(F)C1 ZINC001160969282 815692291 /nfs/dbraw/zinc/69/22/91/815692291.db2.gz ZHWGNYGJMFUYDM-VDDIYKPWSA-N 3 2 274.315 -0.867 20 0 CBADLP CC(C)OC1CN(C(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)C1 ZINC001161010476 815694573 /nfs/dbraw/zinc/69/45/73/815694573.db2.gz RFVGOBBKDNWOGU-MFKMUULPSA-N 2 2 253.346 -0.426 20 0 CBADLP CC(C)OC1CN(C(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)C1 ZINC001161010474 815695182 /nfs/dbraw/zinc/69/51/82/815695182.db2.gz RFVGOBBKDNWOGU-GWCFXTLKSA-N 2 2 253.346 -0.426 20 0 CBADLP NC(=S)C1CCN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)CC1 ZINC001161031212 815699630 /nfs/dbraw/zinc/69/96/30/815699630.db2.gz WRZVJQXXOJXUSS-GARJFASQSA-N 2 2 282.413 -0.539 20 0 CBADLP NC(=S)C1CCN(C(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)CC1 ZINC001161031243 815700499 /nfs/dbraw/zinc/70/04/99/815700499.db2.gz XSVYFGCULOKSSZ-GXFFZTMASA-N 2 2 282.413 -0.537 20 0 CBADLP CN(C(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2)[C@H]1CCCC[C@H]1[NH3+] ZINC001161058224 815706286 /nfs/dbraw/zinc/70/62/86/815706286.db2.gz PXKDENBZIJLPCF-OPDFLTKYSA-N 3 2 266.389 -0.334 20 0 CBADLP C[N@@H+]1CCC[C@H]2CN(C(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])C[C@H]21 ZINC001161081027 815709305 /nfs/dbraw/zinc/70/93/05/815709305.db2.gz CJYBHJABNMPZCX-FIQHERPVSA-N 3 2 252.362 -0.914 20 0 CBADLP C[N@H+]1CCC[C@H]2CN(C(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])C[C@H]21 ZINC001161081027 815709307 /nfs/dbraw/zinc/70/93/07/815709307.db2.gz CJYBHJABNMPZCX-FIQHERPVSA-N 3 2 252.362 -0.914 20 0 CBADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@H]([NH3+])Cc3c[nH]cn3)C[C@H]21 ZINC001161081351 815709620 /nfs/dbraw/zinc/70/96/20/815709620.db2.gz ITJSUPIDGDNUIN-RAIGVLPGSA-N 2 2 277.372 -0.168 20 0 CBADLP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@H]([NH3+])Cc3c[nH]cn3)C[C@H]21 ZINC001161081351 815709623 /nfs/dbraw/zinc/70/96/23/815709623.db2.gz ITJSUPIDGDNUIN-RAIGVLPGSA-N 2 2 277.372 -0.168 20 0 CBADLP CCOC(=O)[C@@H]1COCCN1C(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001161093691 815714431 /nfs/dbraw/zinc/71/44/31/815714431.db2.gz VKQGTWRZIOMGKB-MNOVXSKESA-N 2 2 296.327 -0.930 20 0 CBADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)C2CC[NH2+]CC2)C1 ZINC001161138099 815718287 /nfs/dbraw/zinc/71/82/87/815718287.db2.gz NFQFESJWJGFHRX-GFCCVEGCSA-N 2 2 255.318 -0.911 20 0 CBADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)[C@@]2(C)CCC[NH2+]2)C1 ZINC001161138076 815718747 /nfs/dbraw/zinc/71/87/47/815718747.db2.gz MMNPSLCBEMCENT-VXGBXAGGSA-N 2 2 255.318 -0.769 20 0 CBADLP CC(=O)N1CCC[C@H](N(C)C(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)C1 ZINC001161130685 815718970 /nfs/dbraw/zinc/71/89/70/815718970.db2.gz NJYZGMUUDAVNQA-IPYPFGDCSA-N 2 2 294.399 -0.593 20 0 CBADLP CC(=O)N1CCC[C@@H](N(C)C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)C1 ZINC001161131685 815718980 /nfs/dbraw/zinc/71/89/80/815718980.db2.gz RYULWSVPLTZILR-BHPKHCPMSA-N 2 2 294.399 -0.323 20 0 CBADLP CC(=O)N1CCC[C@H](N(C)C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])C1 ZINC001161131573 815719034 /nfs/dbraw/zinc/71/90/34/815719034.db2.gz QQGNMIFMEZXBFL-SRVKXCTJSA-N 2 2 268.361 -0.998 20 0 CBADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)[C@H]([NH3+])c2ccccc2)C1 ZINC001161137093 815719101 /nfs/dbraw/zinc/71/91/01/815719101.db2.gz BVMVBFMRXXZPDV-BXUZGUMPSA-N 2 2 277.324 -0.211 20 0 CBADLP CCN(C(=O)[C@H]([NH3+])C1CC[NH2+]CC1)C1C[NH+](C)C1 ZINC001161136900 815719167 /nfs/dbraw/zinc/71/91/67/815719167.db2.gz AAEHMBXDZLGDHY-GFCCVEGCSA-N 3 2 254.378 -0.524 20 0 CBADLP CCC[NH+]1C[C@@H]2CN(C(=O)C3([NH3+])CC[NH2+]CC3)C[C@H]2C1 ZINC001161175975 815724661 /nfs/dbraw/zinc/72/46/61/815724661.db2.gz QLZJOYLSSHOGJH-CHWSQXEVSA-N 3 2 280.416 -0.133 20 0 CBADLP C[C@@H]([NH2+]CCCNC(=O)[C@H]1CCn2c[nH+]cc2C1)C(N)=O ZINC001161215392 815728613 /nfs/dbraw/zinc/72/86/13/815728613.db2.gz SDKZIQVUGPTBOZ-MNOVXSKESA-N 2 2 293.371 -0.585 20 0 CBADLP CN(C(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2)[C@@H]1CCC2(C1)OCCO2 ZINC001161218652 815728791 /nfs/dbraw/zinc/72/87/91/815728791.db2.gz KCMMJOGABYNQSH-JMSVASOKSA-N 2 2 295.383 -0.308 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)[C@@H](C)CO1 ZINC001161235077 815731574 /nfs/dbraw/zinc/73/15/74/815731574.db2.gz MZGRRTPFJAGEPT-NGZCFLSTSA-N 2 2 252.318 -0.085 20 0 CBADLP O=C(N1CCC[C@H](n2ccnn2)C1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001161235659 815732310 /nfs/dbraw/zinc/73/23/10/815732310.db2.gz WACQIURVBXFQTE-DYEKYZERSA-N 2 2 290.371 -0.607 20 0 CBADLP COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)C1CC2(C[NH2+]C2)C1 ZINC001161238671 815732564 /nfs/dbraw/zinc/73/25/64/815732564.db2.gz VHXQAVKAIXETLU-LLVKDONJSA-N 2 2 281.356 -0.698 20 0 CBADLP COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)C1CC2(C[NH2+]C2)C1 ZINC001161238671 815732570 /nfs/dbraw/zinc/73/25/70/815732570.db2.gz VHXQAVKAIXETLU-LLVKDONJSA-N 2 2 281.356 -0.698 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCCN(c3cccnc3)CC2)C1 ZINC001161239682 815733590 /nfs/dbraw/zinc/73/35/90/815733590.db2.gz QHAMBBXNDHCANC-OCCSQVGLSA-N 2 2 289.383 -0.191 20 0 CBADLP [NH3+]C[C@@]1(F)CCN(C(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)C1 ZINC001161239607 815734207 /nfs/dbraw/zinc/73/42/07/815734207.db2.gz NJRUWYNTUAAFIJ-ONGXEEELSA-N 3 2 255.297 -0.821 20 0 CBADLP O=C(NCCC[NH2+]CCO)[C@@H]1CCn2cc[nH+]c2C1 ZINC001161308665 815737863 /nfs/dbraw/zinc/73/78/63/815737863.db2.gz CNEYJGXQLXIGDE-LLVKDONJSA-N 2 2 266.345 -0.466 20 0 CBADLP C[C@H](O)C[NH2+]CCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001161309690 815739843 /nfs/dbraw/zinc/73/98/43/815739843.db2.gz OTBGPOQRTBDVBB-RYUDHWBXSA-N 2 2 280.372 -0.078 20 0 CBADLP CCN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@@H]1CCC[NH2+]C1 ZINC001161330958 815741229 /nfs/dbraw/zinc/74/12/29/815741229.db2.gz RKHPDHRUJQNQFB-VXGBXAGGSA-N 2 2 255.362 -0.083 20 0 CBADLP CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@@H]1CCC[NH2+]C1 ZINC001161330958 815741233 /nfs/dbraw/zinc/74/12/33/815741233.db2.gz RKHPDHRUJQNQFB-VXGBXAGGSA-N 2 2 255.362 -0.083 20 0 CBADLP CCN(C(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2)[C@@H]1CCC[NH2+]C1 ZINC001161331667 815741297 /nfs/dbraw/zinc/74/12/97/815741297.db2.gz FVQRBKQIXWUQJN-BZPMIXESSA-N 3 2 266.389 -0.462 20 0 CBADLP COC(=O)[C@@]1(C)COCCN1C(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001161372582 815746882 /nfs/dbraw/zinc/74/68/82/815746882.db2.gz LCDXUWILXDOXTN-ZWNOBZJWSA-N 2 2 296.327 -0.930 20 0 CBADLP CCCCOC(=O)[C@H]1CCN(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)C1 ZINC001161459991 815757050 /nfs/dbraw/zinc/75/70/50/815757050.db2.gz FWUSCAGPRRKQNN-TUAOUCFPSA-N 2 2 283.372 -0.133 20 0 CBADLP C[C@@]1(C[NH3+])CCCN(C(=O)C2([NH3+])CC[NH2+]CC2)C1 ZINC001161488746 815759562 /nfs/dbraw/zinc/75/95/62/815759562.db2.gz FVQBKPLGPUVOBK-LBPRGKRZSA-N 3 2 254.378 -0.345 20 0 CBADLP CN1C(=O)CC[C@H]2CN(C(=O)C3([NH3+])CC[NH2+]CC3)CC[C@@H]21 ZINC001161482464 815759601 /nfs/dbraw/zinc/75/96/01/815759601.db2.gz HUQHJDZMTHQFMY-RYUDHWBXSA-N 2 2 294.399 -0.463 20 0 CBADLP CN1C(=O)CC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)CC[C@H]21 ZINC001161482849 815759649 /nfs/dbraw/zinc/75/96/49/815759649.db2.gz JNEAOVOWIZSFBS-WISYIIOYSA-N 2 2 280.372 -0.855 20 0 CBADLP C[C@]1(C[NH3+])CCCN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)C1 ZINC001161489423 815759721 /nfs/dbraw/zinc/75/97/21/815759721.db2.gz MUJFAYUQOSAQPP-OXHZDVMGSA-N 3 2 266.389 -0.204 20 0 CBADLP C[C@]1(C[NH3+])CCCN(C(=O)C2([NH3+])CC[NH2+]CC2)C1 ZINC001161488745 815759787 /nfs/dbraw/zinc/75/97/87/815759787.db2.gz FVQBKPLGPUVOBK-GFCCVEGCSA-N 3 2 254.378 -0.345 20 0 CBADLP C[C@]1(C[NH3+])CCCN(C(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)C1 ZINC001161490334 815761778 /nfs/dbraw/zinc/76/17/78/815761778.db2.gz YUBQFDLBWQTMDC-BNOWGMLFSA-N 3 2 266.389 -0.475 20 0 CBADLP C[N@H+](C1CN(C(=O)[C@H]([NH3+])Cc2c[nH]cn2)C1)[C@H]1CCOC1 ZINC001161499002 815763061 /nfs/dbraw/zinc/76/30/61/815763061.db2.gz LUGXTLLFKTYECU-WCQYABFASA-N 2 2 293.371 -0.789 20 0 CBADLP C[N@@H+](C1CN(C(=O)[C@H]([NH3+])Cc2c[nH]cn2)C1)[C@H]1CCOC1 ZINC001161499002 815763069 /nfs/dbraw/zinc/76/30/69/815763069.db2.gz LUGXTLLFKTYECU-WCQYABFASA-N 2 2 293.371 -0.789 20 0 CBADLP C[N@H+](C1CN(C(=O)[C@H]([NH3+])Cc2cnc[nH]2)C1)[C@H]1CCOC1 ZINC001161499002 815763075 /nfs/dbraw/zinc/76/30/75/815763075.db2.gz LUGXTLLFKTYECU-WCQYABFASA-N 2 2 293.371 -0.789 20 0 CBADLP C[N@@H+](C1CN(C(=O)[C@H]([NH3+])Cc2cnc[nH]2)C1)[C@H]1CCOC1 ZINC001161499002 815763077 /nfs/dbraw/zinc/76/30/77/815763077.db2.gz LUGXTLLFKTYECU-WCQYABFASA-N 2 2 293.371 -0.789 20 0 CBADLP C[N@H+](C1CN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)C1)[C@H]1CCOC1 ZINC001161497637 815763490 /nfs/dbraw/zinc/76/34/90/815763490.db2.gz BTPUJOQINUVCKM-ZGFBFQLVSA-N 3 2 294.399 -0.860 20 0 CBADLP C[N@@H+](C1CN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)C1)[C@H]1CCOC1 ZINC001161497637 815763494 /nfs/dbraw/zinc/76/34/94/815763494.db2.gz BTPUJOQINUVCKM-ZGFBFQLVSA-N 3 2 294.399 -0.860 20 0 CBADLP C[N@H+](C1CN(C(=O)[C@@]23CC[C@@H](N2)[C@H]([NH3+])C3)C1)[C@H]1CCOC1 ZINC001161497637 815763496 /nfs/dbraw/zinc/76/34/96/815763496.db2.gz BTPUJOQINUVCKM-ZGFBFQLVSA-N 2 2 294.399 -0.860 20 0 CBADLP C[N@@H+](C1CN(C(=O)[C@@]23CC[C@@H](N2)[C@H]([NH3+])C3)C1)[C@H]1CCOC1 ZINC001161497637 815763499 /nfs/dbraw/zinc/76/34/99/815763499.db2.gz BTPUJOQINUVCKM-ZGFBFQLVSA-N 2 2 294.399 -0.860 20 0 CBADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)N2C[C@@H]([NH3+])C3(COC3)C2)cc1 ZINC001161507277 815765314 /nfs/dbraw/zinc/76/53/14/815765314.db2.gz RTSILXDTIOTKRU-CHWSQXEVSA-N 3 2 290.367 -0.555 20 0 CBADLP CO[C@@H]1CCN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)[C@H](C)C1 ZINC001161534148 815767289 /nfs/dbraw/zinc/76/72/89/815767289.db2.gz FPTAJSFUKODHMW-RXGFPQBGSA-N 2 2 267.373 -0.038 20 0 CBADLP O=C(c1cc2n(n1)CC[NH2+]C2)N1CC[NH2+]C2(CC2)C1 ZINC001161556539 815771919 /nfs/dbraw/zinc/77/19/19/815771919.db2.gz QMMHMMCNRPBFOS-UHFFFAOYSA-N 2 2 261.329 -0.436 20 0 CBADLP CCOC(=O)[C@H]([NH3+])CNc1ncc2c(n1)C[NH2+]C2 ZINC001161951029 815796815 /nfs/dbraw/zinc/79/68/15/815796815.db2.gz ZQXTWASKWTUUQB-MRVPVSSYSA-N 2 2 251.290 -0.618 20 0 CBADLP C[N@@H+]1CCO[C@H](CNc2nccnc2N2CC[NH2+]CC2)C1 ZINC001162680591 815838795 /nfs/dbraw/zinc/83/87/95/815838795.db2.gz MNCMECXSLPVPMB-GFCCVEGCSA-N 2 2 292.387 -0.371 20 0 CBADLP C[N@H+]1CCO[C@H](CNc2nccnc2N2CC[NH2+]CC2)C1 ZINC001162680591 815838801 /nfs/dbraw/zinc/83/88/01/815838801.db2.gz MNCMECXSLPVPMB-GFCCVEGCSA-N 2 2 292.387 -0.371 20 0 CBADLP Nc1cn2ccc(N[C@]34CC[NH2+][C@@H]3CC(=O)N4)cc2[nH+]1 ZINC001163252000 815874282 /nfs/dbraw/zinc/87/42/82/815874282.db2.gz SOBJEOMZZVINPA-RNCFNFMXSA-N 2 2 272.312 -0.094 20 0 CBADLP O=C1C[C@@H]2[NH2+]CC[C@]2(Nc2c[nH+]c3c(c2)CCCN3)N1 ZINC001163253539 815875357 /nfs/dbraw/zinc/87/53/57/815875357.db2.gz GKJHNNWJMMIMSG-FZMZJTMJSA-N 2 2 273.340 -0.283 20 0 CBADLP O=C1C[C@H]2[NH2+]CC[C@]2(Nc2c[nH+]c3c(c2)CCCN3)N1 ZINC001163253540 815875632 /nfs/dbraw/zinc/87/56/32/815875632.db2.gz GKJHNNWJMMIMSG-RISCZKNCSA-N 2 2 273.340 -0.283 20 0 CBADLP Cn1nncc1C[NH2+]CCCNC(=O)CCn1cc[nH+]c1 ZINC001163588224 815890124 /nfs/dbraw/zinc/89/01/24/815890124.db2.gz FLMFDWBJLSZTII-UHFFFAOYSA-N 2 2 291.359 -0.302 20 0 CBADLP CN(CC[NH+](C)C)c1cc(N2CCC[C@H]2C(N)=O)[nH+]cn1 ZINC001163591235 815890724 /nfs/dbraw/zinc/89/07/24/815890724.db2.gz XHAKDMXEPKQDGW-NSHDSACASA-N 2 2 292.387 -0.072 20 0 CBADLP O=C(CCn1cc[nH+]c1)NCCC[NH2+]Cc1cnon1 ZINC001163593958 815890790 /nfs/dbraw/zinc/89/07/90/815890790.db2.gz ORKGCOJFFFCKFS-UHFFFAOYSA-N 2 2 278.316 -0.048 20 0 CBADLP CNC(=O)C[NH2+]CCCNC(=O)CCn1cc[nH+]c1 ZINC001163588535 815890925 /nfs/dbraw/zinc/89/09/25/815890925.db2.gz LJVJSXPCHCGQLZ-UHFFFAOYSA-N 2 2 267.333 -0.885 20 0 CBADLP COC[C@@H](O)C[NH2+]CCCNC(=O)CCn1cc[nH+]c1 ZINC001163593081 815891036 /nfs/dbraw/zinc/89/10/36/815891036.db2.gz DEJCQAVHBOMUFZ-LBPRGKRZSA-N 2 2 284.360 -0.624 20 0 CBADLP O=C(CCn1cc[nH+]c1)NCCC[NH2+]CCOCCO ZINC001163593045 815891299 /nfs/dbraw/zinc/89/12/99/815891299.db2.gz CJLWINRNKVJEEM-UHFFFAOYSA-N 2 2 284.360 -0.622 20 0 CBADLP Cn1ncnc1C[NH2+]CCCNC(=O)CCn1cc[nH+]c1 ZINC001163593270 815891373 /nfs/dbraw/zinc/89/13/73/815891373.db2.gz GMRUGUMRWNELHS-UHFFFAOYSA-N 2 2 291.359 -0.302 20 0 CBADLP C[NH2+]C1CN(c2cc(N3CCC[C@H]3C(N)=O)[nH+]cn2)C1 ZINC001163704648 815896095 /nfs/dbraw/zinc/89/60/95/815896095.db2.gz CIYQCASWIYTKON-JTQLQIEISA-N 2 2 276.344 -0.661 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001292586053 816469538 /nfs/dbraw/zinc/46/95/38/816469538.db2.gz IMWBSBDEQYVASK-LBPRGKRZSA-N 2 2 293.371 -0.413 20 0 CBADLP C[C@@H](C[NH2+]Cc1cn(C)nn1)N1CC[NH+](C)CC1 ZINC001308256452 816822574 /nfs/dbraw/zinc/82/25/74/816822574.db2.gz NKGSLPXJEIRNJT-NSHDSACASA-N 2 2 252.366 -0.459 20 0 CBADLP C[NH+](CCF)CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001316818513 816882243 /nfs/dbraw/zinc/88/22/43/816882243.db2.gz BLXPHQRWTDQRHR-NSHDSACASA-N 2 2 261.341 -0.275 20 0 CBADLP C[NH+](CCF)CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001316818513 816882253 /nfs/dbraw/zinc/88/22/53/816882253.db2.gz BLXPHQRWTDQRHR-NSHDSACASA-N 2 2 261.341 -0.275 20 0 CBADLP C[N@H+](CCF)CCCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001316818513 816882236 /nfs/dbraw/zinc/88/22/36/816882236.db2.gz BLXPHQRWTDQRHR-NSHDSACASA-N 2 2 261.341 -0.275 20 0 CBADLP C[N@@H+](CCF)CCCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001316818513 816882239 /nfs/dbraw/zinc/88/22/39/816882239.db2.gz BLXPHQRWTDQRHR-NSHDSACASA-N 2 2 261.341 -0.275 20 0 CBADLP O=C(CCn1cc[nH+]c1)N1CC[C@H](C[NH2+]CCO)C1 ZINC001317332562 816966410 /nfs/dbraw/zinc/96/64/10/816966410.db2.gz XVXNGLQTZHJKCY-GFCCVEGCSA-N 2 2 266.345 -0.296 20 0 CBADLP C[NH+](C)C1(C(=O)NCC2C[NH+](CC(N)=O)C2)CCC1 ZINC001318128591 817079732 /nfs/dbraw/zinc/07/97/32/817079732.db2.gz QROUHDQQTSXFBL-UHFFFAOYSA-N 2 2 268.361 -0.996 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C3(C(N)=O)CC3)C2)CC1 ZINC001318438454 817109331 /nfs/dbraw/zinc/10/93/31/817109331.db2.gz BYKNFEYTXAWYDV-NSHDSACASA-N 2 2 294.399 -0.463 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C3(C(N)=O)CC3)C2)CC1 ZINC001318438454 817109336 /nfs/dbraw/zinc/10/93/36/817109336.db2.gz BYKNFEYTXAWYDV-NSHDSACASA-N 2 2 294.399 -0.463 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH+]2CC=CC2)C1 ZINC001318953080 817151972 /nfs/dbraw/zinc/15/19/72/817151972.db2.gz QMYOARPZFYKFDR-GFCCVEGCSA-N 2 2 253.346 -0.305 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH+]2CC=CC2)C1 ZINC001318953080 817151976 /nfs/dbraw/zinc/15/19/76/817151976.db2.gz QMYOARPZFYKFDR-GFCCVEGCSA-N 2 2 253.346 -0.305 20 0 CBADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)C[NH2+]CCO ZINC001319270875 817183472 /nfs/dbraw/zinc/18/34/72/817183472.db2.gz SXTSBVPALUIOSW-JTQLQIEISA-N 2 2 254.334 -0.703 20 0 CBADLP C[C@@H](O)C[NH2+]C[C@@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001319270877 817183765 /nfs/dbraw/zinc/18/37/65/817183765.db2.gz SYJOWPWRTSBXBL-GHMZBOCLSA-N 2 2 268.361 -0.315 20 0 CBADLP C[C@H](C[NH2+][C@@H](C)C(N)=O)N(C)C(=O)Cn1cc[nH+]c1 ZINC001319591995 817223304 /nfs/dbraw/zinc/22/33/04/817223304.db2.gz GBKXXFIQLXRBNN-ZJUUUORDSA-N 2 2 267.333 -0.807 20 0 CBADLP CC[C@H](C(N)=O)[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC001319606172 817224258 /nfs/dbraw/zinc/22/42/58/817224258.db2.gz HAWNIDMTJRVTMP-CHWSQXEVSA-N 2 2 268.405 -0.038 20 0 CBADLP CC[C@H](C(N)=O)[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC001319606172 817224264 /nfs/dbraw/zinc/22/42/64/817224264.db2.gz HAWNIDMTJRVTMP-CHWSQXEVSA-N 2 2 268.405 -0.038 20 0 CBADLP O=C(NC[C@@H](O)C[NH2+]CCCF)[C@@H]1CCn2c[nH+]cc2C1 ZINC001320243487 817302249 /nfs/dbraw/zinc/30/22/49/817302249.db2.gz TWSOGEXCRCNFSP-YPMHNXCESA-N 2 2 298.362 -0.128 20 0 CBADLP O=C(NC[C@H](O)C[NH2+]CCCF)[C@@H]1CCn2c[nH+]cc2C1 ZINC001320243483 817302501 /nfs/dbraw/zinc/30/25/01/817302501.db2.gz TWSOGEXCRCNFSP-DGCLKSJQSA-N 2 2 298.362 -0.128 20 0 CBADLP CCC[NH2+]C[C@H](O)CNC(=O)Cc1c[nH+]cn1C ZINC001320295540 817317289 /nfs/dbraw/zinc/31/72/89/817317289.db2.gz LBRUATDHJJWNGK-NSHDSACASA-N 2 2 254.334 -0.561 20 0 CBADLP CC(C)C[NH2+]C[C@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001320316783 817320553 /nfs/dbraw/zinc/32/05/53/817320553.db2.gz OIJOFEKTRWFZQR-NSHDSACASA-N 2 2 254.334 -0.394 20 0 CBADLP C[C@@H](CC[NH2+]CC(N)=O)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001320457312 817340188 /nfs/dbraw/zinc/34/01/88/817340188.db2.gz XUXRGWNIOKLVBX-IVZWLZJFSA-N 2 2 279.344 -0.517 20 0 CBADLP C[C@@H](CC[NH2+]CC(N)=O)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001320457312 817340197 /nfs/dbraw/zinc/34/01/97/817340197.db2.gz XUXRGWNIOKLVBX-IVZWLZJFSA-N 2 2 279.344 -0.517 20 0 CBADLP C[C@@H](CC[NH2+]CCO)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001320467765 817342053 /nfs/dbraw/zinc/34/20/53/817342053.db2.gz DZZRBAKBXLGKDY-RYUDHWBXSA-N 2 2 280.372 -0.078 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC/C=C/C[NH2+]CC(=O)N1CCC1 ZINC001321271664 817471642 /nfs/dbraw/zinc/47/16/42/817471642.db2.gz ORKPSYMBOIPEJH-OWOJBTEDSA-N 2 2 291.355 -0.554 20 0 CBADLP C[C@H]([NH2+]C/C=C\CNC(=O)CCc1c[nH+]cn1C)C(N)=O ZINC001321370730 817491538 /nfs/dbraw/zinc/49/15/38/817491538.db2.gz FUOJQTTXIXTDRY-BYCRGOAPSA-N 2 2 293.371 -0.512 20 0 CBADLP COC(=O)[C@@H]1C[C@H](Nc2cc3c(nn2)C[NH2+]C3)C[NH2+]1 ZINC001164307480 819907460 /nfs/dbraw/zinc/90/74/60/819907460.db2.gz ZSAUPMMLSYNQIP-IUCAKERBSA-N 2 2 263.301 -0.605 20 0 CBADLP NC(=O)C[NH2+]CC1(CCNC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001164334568 819909318 /nfs/dbraw/zinc/90/93/18/819909318.db2.gz HFEDDACUFMQHRM-UHFFFAOYSA-N 2 2 293.371 -0.296 20 0 CBADLP O=C(NCCC[NH2+]CCO)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001164491521 819916890 /nfs/dbraw/zinc/91/68/90/819916890.db2.gz JLBCCAOPZKPHIA-CQSZACIVSA-N 2 2 299.415 -0.282 20 0 CBADLP O=C(NCCC[NH2+]CCO)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001164491521 819916896 /nfs/dbraw/zinc/91/68/96/819916896.db2.gz JLBCCAOPZKPHIA-CQSZACIVSA-N 2 2 299.415 -0.282 20 0 CBADLP CN(C)c1cc(N2CC(=O)NC3(CC[NH2+]CC3)C2)nc[nH+]1 ZINC001165252250 819944496 /nfs/dbraw/zinc/94/44/96/819944496.db2.gz BCLLNCJHIBYBRS-UHFFFAOYSA-N 2 2 290.371 -0.399 20 0 CBADLP CN(C)c1cc(N2CC(=O)NC3(CC[NH2+]CC3)C2)[nH+]cn1 ZINC001165252250 819944501 /nfs/dbraw/zinc/94/45/01/819944501.db2.gz BCLLNCJHIBYBRS-UHFFFAOYSA-N 2 2 290.371 -0.399 20 0 CBADLP C[C@@H]([NH2+]CCCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21)C(N)=O ZINC001166403481 819999873 /nfs/dbraw/zinc/99/98/73/819999873.db2.gz YWYRZCDKRIUKLC-ZJUUUORDSA-N 2 2 293.371 -0.201 20 0 CBADLP NC(=O)[C@H]1CN(c2cc(-n3ccnc3)cc[nH+]2)CC[NH2+]1 ZINC001166724957 820027928 /nfs/dbraw/zinc/02/79/28/820027928.db2.gz VZLRUHYFHQBVIM-LLVKDONJSA-N 2 2 272.312 -0.469 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NCCC1(C[NH2+]CCO)CC1 ZINC001167331407 820080809 /nfs/dbraw/zinc/08/08/09/820080809.db2.gz JDZTWHIKFHUDQR-UHFFFAOYSA-N 2 2 266.345 -0.179 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NCCC[NH2+][C@H]1CCCNC1=O ZINC001167355403 820085811 /nfs/dbraw/zinc/08/58/11/820085811.db2.gz FZZJSPLQSZWIBV-NSHDSACASA-N 2 2 279.344 -0.673 20 0 CBADLP O=C(C[NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1)NC1CC1 ZINC001167355533 820086734 /nfs/dbraw/zinc/08/67/34/820086734.db2.gz NXOSKMCSKBSWOY-UHFFFAOYSA-N 2 2 279.344 -0.673 20 0 CBADLP C[C@H](CC(=O)NCCC[NH2+][C@H](C)C(N)=O)n1cc[nH+]c1 ZINC001167428713 820089349 /nfs/dbraw/zinc/08/93/49/820089349.db2.gz MJSLSOQZRBYVBG-GHMZBOCLSA-N 2 2 281.360 -0.196 20 0 CBADLP C[C@H](CC(=O)NCCC[NH2+]CCO)n1cc[nH+]c1 ZINC001167429817 820090072 /nfs/dbraw/zinc/09/00/72/820090072.db2.gz YDEKBJAEKMAFKT-LLVKDONJSA-N 2 2 254.334 -0.078 20 0 CBADLP C[NH2+]CCNc1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC001167723508 820113436 /nfs/dbraw/zinc/11/34/36/820113436.db2.gz YXXWWSBPAAWBJC-UHFFFAOYSA-N 2 2 264.333 -0.614 20 0 CBADLP CC[C@H]([NH2+]CCCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C(N)=O ZINC001167977179 820136770 /nfs/dbraw/zinc/13/67/70/820136770.db2.gz HCZNBQKIIRCPTJ-PWSUYJOCSA-N 2 2 295.387 -0.052 20 0 CBADLP CC[C@H]([NH2+]CCCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1)C(N)=O ZINC001167977179 820136774 /nfs/dbraw/zinc/13/67/74/820136774.db2.gz HCZNBQKIIRCPTJ-PWSUYJOCSA-N 2 2 295.387 -0.052 20 0 CBADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCC[NH2+][C@@H]1CCNC1=O ZINC001167977726 820136912 /nfs/dbraw/zinc/13/69/12/820136912.db2.gz HZWBGXBDLNRVIL-CMPLNLGQSA-N 2 2 293.371 -0.427 20 0 CBADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCC[NH2+][C@@H]1CCNC1=O ZINC001167977726 820136918 /nfs/dbraw/zinc/13/69/18/820136918.db2.gz HZWBGXBDLNRVIL-CMPLNLGQSA-N 2 2 293.371 -0.427 20 0 CBADLP NC(=O)[C@@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167968341 820137099 /nfs/dbraw/zinc/13/70/99/820137099.db2.gz PTVBKAAXROCLHP-PSEXLTFBSA-N 2 2 267.373 -0.172 20 0 CBADLP NC(=O)[C@@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167968341 820137102 /nfs/dbraw/zinc/13/71/02/820137102.db2.gz PTVBKAAXROCLHP-PSEXLTFBSA-N 2 2 267.373 -0.172 20 0 CBADLP COC[C@@H](O)C[NH2+]CCCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001167980063 820138388 /nfs/dbraw/zinc/13/83/88/820138388.db2.gz ZVIPSJPBHKTRSJ-AAEUAGOBSA-N 2 2 298.387 -0.309 20 0 CBADLP COC[C@@H](O)C[NH2+]CCCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001167980063 820138393 /nfs/dbraw/zinc/13/83/93/820138393.db2.gz ZVIPSJPBHKTRSJ-AAEUAGOBSA-N 2 2 298.387 -0.309 20 0 CBADLP COC(=O)c1cc(NC(=[NH2+])N2CC[NH+](C)CC2)ccn1 ZINC001168735851 820170160 /nfs/dbraw/zinc/17/01/60/820170160.db2.gz GMEATYYTWMMXCX-UHFFFAOYSA-N 2 2 277.328 -0.116 20 0 CBADLP Cn1cnc2ncc(NC(=[NH2+])N3CC[NH+](C)CC3)nc21 ZINC001168746284 820171051 /nfs/dbraw/zinc/17/10/51/820171051.db2.gz HXYCEBLFVOQBJX-UHFFFAOYSA-N 2 2 274.332 -0.043 20 0 CBADLP C[NH+]1CCN(C(=[NH2+])Nc2ccc(-n3cnnn3)nc2)CC1 ZINC001168737441 820171291 /nfs/dbraw/zinc/17/12/91/820171291.db2.gz XHEAFSKETBMFTN-UHFFFAOYSA-N 2 2 287.331 -0.349 20 0 CBADLP [NH3+]Cc1nc(=O)[nH]n1-c1ccc(OC2C[NH2+]C2)cn1 ZINC001168761494 820180097 /nfs/dbraw/zinc/18/00/97/820180097.db2.gz QTQYURVJCINLOK-UHFFFAOYSA-N 2 2 262.273 -0.823 20 0 CBADLP COC(=O)[C@@H]([NH3+])Cc1ccc(-n2nnnc2C[NH3+])cc1 ZINC001168920016 820191688 /nfs/dbraw/zinc/19/16/88/820191688.db2.gz IFBFCEHEGDLCPJ-JTQLQIEISA-N 2 2 276.300 -0.836 20 0 CBADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ncc2[nH]cnc2n1 ZINC001169067070 820203278 /nfs/dbraw/zinc/20/32/78/820203278.db2.gz NNHDOAXSOAMMFK-SSDOTTSWSA-N 2 2 259.273 -0.648 20 0 CBADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ncnc2nc[nH]c21 ZINC001169067378 820203809 /nfs/dbraw/zinc/20/38/09/820203809.db2.gz RGQLJVXIRJQPOT-SSDOTTSWSA-N 2 2 259.273 -0.599 20 0 CBADLP Cc1nc(Cl)nnc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169071405 820204432 /nfs/dbraw/zinc/20/44/32/820204432.db2.gz CDBMPOVXNXRTES-SSDOTTSWSA-N 2 2 268.708 -0.119 20 0 CBADLP COc1cnc(C)nc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169072787 820205339 /nfs/dbraw/zinc/20/53/39/820205339.db2.gz YLGCMFMQUGVDLA-SECBINFHSA-N 2 2 263.301 -0.159 20 0 CBADLP Nc1cnc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c(F)c1 ZINC001169071875 820205631 /nfs/dbraw/zinc/20/56/31/820205631.db2.gz ODNVLJXBAGXTRV-MRVPVSSYSA-N 2 2 251.265 -0.149 20 0 CBADLP CN1Cc2cc(-n3c[nH+]cc3C[C@@H]([NH3+])CO)cnc2C1=O ZINC001169073233 820205834 /nfs/dbraw/zinc/20/58/34/820205834.db2.gz DSRGGSNIFCYOFL-SNVBAGLBSA-N 2 2 287.323 -0.285 20 0 CBADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cccc2c1CC(=O)NC2 ZINC001169075533 820206668 /nfs/dbraw/zinc/20/66/68/820206668.db2.gz SHTDUKILSSINMF-LLVKDONJSA-N 2 2 286.335 -0.093 20 0 CBADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1CN(S(C)(=O)=O)C1)C2 ZINC001169099356 820207577 /nfs/dbraw/zinc/20/75/77/820207577.db2.gz QNKLLKQXGZOQJC-WLLOZRIZSA-N 2 2 273.402 -0.155 20 0 CBADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1CN(S(C)(=O)=O)C1)C2 ZINC001169099356 820207583 /nfs/dbraw/zinc/20/75/83/820207583.db2.gz QNKLLKQXGZOQJC-WLLOZRIZSA-N 2 2 273.402 -0.155 20 0 CBADLP CC[NH+]1CCC([NH2+][C@@H](CCC(=O)OC)C(N)=O)CC1 ZINC001169241656 820216538 /nfs/dbraw/zinc/21/65/38/820216538.db2.gz YFCORRBQKMQSQL-NSHDSACASA-N 2 2 271.361 -0.133 20 0 CBADLP CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H]2COC[C@H]2[NH3+])CO1 ZINC001169321550 820230137 /nfs/dbraw/zinc/23/01/37/820230137.db2.gz MXGYPUBOZWZPDP-DBIOUOCHSA-N 2 2 258.318 -0.587 20 0 CBADLP CCOC(=O)[C@H]1CC[C@H](NC(=[NH2+])N2CC[NH+](C)CC2)CO1 ZINC001169333796 820238957 /nfs/dbraw/zinc/23/89/57/820238957.db2.gz JVDQQOZPLOWSIB-NWDGAFQWSA-N 2 2 298.387 -0.131 20 0 CBADLP NC(=O)[C@@H](CO)Nc1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001169338490 820240728 /nfs/dbraw/zinc/24/07/28/820240728.db2.gz CQSLWYSWCWYWBF-DGCLKSJQSA-N 2 2 278.356 -0.522 20 0 CBADLP NC(=O)[C@@H](CO)Nc1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001169338490 820240737 /nfs/dbraw/zinc/24/07/37/820240737.db2.gz CQSLWYSWCWYWBF-DGCLKSJQSA-N 2 2 278.356 -0.522 20 0 CBADLP CC(=O)N1CCC[C@H](NC(=[NH2+])N2CC[NH+](C)CC2)C1 ZINC001169579831 820258967 /nfs/dbraw/zinc/25/89/67/820258967.db2.gz MCBOHIVGSJHXFW-LBPRGKRZSA-N 2 2 267.377 -0.231 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNc1cnc(O[C@H]2CC[NH2+]C2)nc1 ZINC001169654780 820263493 /nfs/dbraw/zinc/26/34/93/820263493.db2.gz WDJVUJFQRAZRQL-OLZOCXBDSA-N 2 2 293.371 -0.040 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNc1cnc(O[C@H]2CC[NH2+]C2)nc1 ZINC001169654780 820263500 /nfs/dbraw/zinc/26/35/00/820263500.db2.gz WDJVUJFQRAZRQL-OLZOCXBDSA-N 2 2 293.371 -0.040 20 0 CBADLP CN(CC[NH3+])CCNc1ccc2c([nH+]1)N(C)CC(=O)N2 ZINC001170498257 820295755 /nfs/dbraw/zinc/29/57/55/820295755.db2.gz IFIFJLGYAGNDDG-UHFFFAOYSA-N 2 2 278.360 -0.228 20 0 CBADLP COC(=O)c1[nH+]ccc(N[C@H]2C[NH2+]C[C@@H]2CO)c1C ZINC001170778936 820320970 /nfs/dbraw/zinc/32/09/70/820320970.db2.gz AYAGSSOAGJMSRD-KOLCDFICSA-N 2 2 265.313 -0.409 20 0 CBADLP CN1CCN(C(=[NH2+])NC2C[C@@H]3COC[C@H](C2)[N@@H+]3C)CC1 ZINC001172125707 820382568 /nfs/dbraw/zinc/38/25/68/820382568.db2.gz BECLJQYCWORKAC-YHWZYXNKSA-N 2 2 281.404 -0.380 20 0 CBADLP CN1CCN(C(=[NH2+])NC2C[C@@H]3COC[C@H](C2)[N@H+]3C)CC1 ZINC001172125707 820382577 /nfs/dbraw/zinc/38/25/77/820382577.db2.gz BECLJQYCWORKAC-YHWZYXNKSA-N 2 2 281.404 -0.380 20 0 CBADLP [NH3+]C[C@@H]1C[N@@H+]([C@@H]2CCN3C(=O)CC[C@H]3C2)CCO1 ZINC001172150769 820385843 /nfs/dbraw/zinc/38/58/43/820385843.db2.gz PRZOVGZXKFGPKG-GRYCIOLGSA-N 2 2 253.346 -0.201 20 0 CBADLP [NH3+]C[C@@H]1C[N@H+]([C@@H]2CCN3C(=O)CC[C@H]3C2)CCO1 ZINC001172150769 820385851 /nfs/dbraw/zinc/38/58/51/820385851.db2.gz PRZOVGZXKFGPKG-GRYCIOLGSA-N 2 2 253.346 -0.201 20 0 CBADLP [NH3+]C[C@@H]1C[N@@H+]([C@@H]2CCC[C@H](n3ncnn3)C2)CCO1 ZINC001173733076 820408662 /nfs/dbraw/zinc/40/86/62/820408662.db2.gz IATDEDYVAFWPLE-GRYCIOLGSA-N 2 2 266.349 -0.184 20 0 CBADLP [NH3+]C[C@@H]1C[N@H+]([C@@H]2CCC[C@H](n3ncnn3)C2)CCO1 ZINC001173733076 820408667 /nfs/dbraw/zinc/40/86/67/820408667.db2.gz IATDEDYVAFWPLE-GRYCIOLGSA-N 2 2 266.349 -0.184 20 0 CBADLP COC[C@@H](O)C[NH2+]CCCNC(=O)Cc1[nH]c[nH+]c1C ZINC001174682607 820415116 /nfs/dbraw/zinc/41/51/16/820415116.db2.gz JXUCXABYPGVZIX-NSHDSACASA-N 2 2 284.360 -0.636 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCCC[NH2+]Cc1cnn(C)n1 ZINC001174684102 820415810 /nfs/dbraw/zinc/41/58/10/820415810.db2.gz ZPMNVTCOAYKUJF-UHFFFAOYSA-N 2 2 291.359 -0.315 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCCC[NH2+][C@@H](C)C(N)=O ZINC001174683673 820416137 /nfs/dbraw/zinc/41/61/37/820416137.db2.gz SYQRPGUDCAPRBN-VIFPVBQESA-N 2 2 267.333 -0.770 20 0 CBADLP C[C@@H]([NH2+]CCCNC(=O)CCc1c[nH+]cn1C)C(N)=O ZINC001175002495 820420501 /nfs/dbraw/zinc/42/05/01/820420501.db2.gz IJZRIHBLHUGVHE-SNVBAGLBSA-N 2 2 281.360 -0.678 20 0 CBADLP CNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001175463304 820426533 /nfs/dbraw/zinc/42/65/33/820426533.db2.gz ZJBUPWKOTIVGBK-LLVKDONJSA-N 2 2 295.387 -0.037 20 0 CBADLP C[NH+](C)C[C@@H]1COCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001176831497 820458919 /nfs/dbraw/zinc/45/89/19/820458919.db2.gz UCNTYNZBWMKNOX-LLVKDONJSA-N 2 2 252.318 -0.259 20 0 CBADLP CC[N@H+](C)CCC(=O)N1CC[C@H]2OCC[NH+](CCO)[C@@H]2C1 ZINC001177125534 820493674 /nfs/dbraw/zinc/49/36/74/820493674.db2.gz RHSOJOBPZLEERG-ZIAGYGMSSA-N 2 2 299.415 -0.378 20 0 CBADLP CC[N@@H+](C)CCC(=O)N1CC[C@H]2OCC[NH+](CCO)[C@@H]2C1 ZINC001177125534 820493682 /nfs/dbraw/zinc/49/36/82/820493682.db2.gz RHSOJOBPZLEERG-ZIAGYGMSSA-N 2 2 299.415 -0.378 20 0 CBADLP CC[NH+](C)CCC(=O)N1CC[C@H]2OCC[N@H+](CCO)[C@@H]2C1 ZINC001177125534 820493690 /nfs/dbraw/zinc/49/36/90/820493690.db2.gz RHSOJOBPZLEERG-ZIAGYGMSSA-N 2 2 299.415 -0.378 20 0 CBADLP CC[NH+](C)CCC(=O)N1CC[C@H]2OCC[N@@H+](CCO)[C@@H]2C1 ZINC001177125534 820493693 /nfs/dbraw/zinc/49/36/93/820493693.db2.gz RHSOJOBPZLEERG-ZIAGYGMSSA-N 2 2 299.415 -0.378 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]CCCNC(=O)CCCn1cc[nH+]c1 ZINC001177351541 820506387 /nfs/dbraw/zinc/50/63/87/820506387.db2.gz HKCUVBSHEDTCCK-LBPRGKRZSA-N 2 2 295.387 -0.106 20 0 CBADLP CCN1CC[C@@H]([NH2+]CCCNC(=O)Cn2cc[nH+]c2)C1=O ZINC001177404820 820512102 /nfs/dbraw/zinc/51/21/02/820512102.db2.gz HLEGNQHPHXNEGL-GFCCVEGCSA-N 2 2 293.371 -0.400 20 0 CBADLP COCCOCC[NH2+]CCCNC(=O)Cn1cc[nH+]c1 ZINC001177405217 820513949 /nfs/dbraw/zinc/51/39/49/820513949.db2.gz LFVJONXELPNMKW-UHFFFAOYSA-N 2 2 284.360 -0.358 20 0 CBADLP CN(CC(=O)n1cc(C[NH3+])cnc1=N)c1cccc[nH+]1 ZINC001177417672 820515133 /nfs/dbraw/zinc/51/51/33/820515133.db2.gz UOXJIMWUMIZTCQ-UHFFFAOYSA-N 2 2 272.312 -0.007 20 0 CBADLP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)c1nnc(C)[nH]1 ZINC001189876858 823784112 /nfs/dbraw/zinc/78/41/12/823784112.db2.gz XSAQFYHBOPSTFS-UHFFFAOYSA-N 2 2 267.337 -0.209 20 0 CBADLP C[C@H]1[C@@H]([NH2+]CC(=O)N(C)C)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001179783609 820640210 /nfs/dbraw/zinc/64/02/10/820640210.db2.gz XWJZXRKAYZVZOU-QWRGUYRKSA-N 2 2 293.371 -0.381 20 0 CBADLP CC[NH+](CC)CC(=O)N[C@@H](Cc1c[nH+]cn1C)C(=O)OC ZINC001180390820 820677280 /nfs/dbraw/zinc/67/72/80/820677280.db2.gz IDWXFBAWGHSJKT-LBPRGKRZSA-N 2 2 296.371 -0.038 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N(CC[NH3+])c2cccnc2)C1 ZINC001180763865 820723176 /nfs/dbraw/zinc/72/31/76/820723176.db2.gz OBDZDIVJFAZYGB-GFCCVEGCSA-N 2 2 264.329 -0.296 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N(CC[NH3+])c2cccnc2)C1 ZINC001180763865 820723183 /nfs/dbraw/zinc/72/31/83/820723183.db2.gz OBDZDIVJFAZYGB-GFCCVEGCSA-N 2 2 264.329 -0.296 20 0 CBADLP C[N@@H+]1CCCN(CCNC(=O)Cc2cc[nH+]c(N)c2)CC1 ZINC001181279194 820769939 /nfs/dbraw/zinc/76/99/39/820769939.db2.gz HEOIALXRHLHEPT-UHFFFAOYSA-N 2 2 291.399 -0.040 20 0 CBADLP C[N@H+]1CCCN(CCNC(=O)Cc2cc[nH+]c(N)c2)CC1 ZINC001181279194 820769946 /nfs/dbraw/zinc/76/99/46/820769946.db2.gz HEOIALXRHLHEPT-UHFFFAOYSA-N 2 2 291.399 -0.040 20 0 CBADLP C[N@@H+]1CCO[C@@H](CNC(=O)C23CC[NH+](CC2)CC3)C1 ZINC001181551307 820796244 /nfs/dbraw/zinc/79/62/44/820796244.db2.gz BSBSOXBTNKIAKZ-LBPRGKRZSA-N 2 2 267.373 -0.081 20 0 CBADLP C[N@H+]1CCO[C@@H](CNC(=O)C23CC[NH+](CC2)CC3)C1 ZINC001181551307 820796248 /nfs/dbraw/zinc/79/62/48/820796248.db2.gz BSBSOXBTNKIAKZ-LBPRGKRZSA-N 2 2 267.373 -0.081 20 0 CBADLP COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001182014886 820848468 /nfs/dbraw/zinc/84/84/68/820848468.db2.gz YIKCRHSUBBXXNA-STQMWFEESA-N 2 2 295.383 -0.356 20 0 CBADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001182014886 820848483 /nfs/dbraw/zinc/84/84/83/820848483.db2.gz YIKCRHSUBBXXNA-STQMWFEESA-N 2 2 295.383 -0.356 20 0 CBADLP CCN(C(=O)C1(O)CC[NH+](C)CC1)C1C[NH+](C)C1 ZINC001182032937 820854313 /nfs/dbraw/zinc/85/43/13/820854313.db2.gz JROMSFQXPHMWET-UHFFFAOYSA-N 2 2 255.362 -0.394 20 0 CBADLP C[NH+]1CCC(O)(C(=O)N2CCc3[nH+]ccn3CC2)CC1 ZINC001182032710 820856354 /nfs/dbraw/zinc/85/63/54/820856354.db2.gz IPIWCCRPVCRINT-UHFFFAOYSA-N 2 2 278.356 -0.276 20 0 CBADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)C1([NH+](C)C)CC1 ZINC001182603128 820928991 /nfs/dbraw/zinc/92/89/91/820928991.db2.gz SLEQQCXEKVWCMY-NSHDSACASA-N 2 2 294.355 -0.285 20 0 CBADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@]1(C)C[NH2+]CC(N)=O ZINC001182997221 820958546 /nfs/dbraw/zinc/95/85/46/820958546.db2.gz OWTIJADSQCLFFH-QMTHXVAHSA-N 2 2 293.371 -0.488 20 0 CBADLP CS(=O)(=O)N(CC[NH3+])C(=O)CCc1ccc(N)[nH+]c1 ZINC001183930018 821040277 /nfs/dbraw/zinc/04/02/77/821040277.db2.gz YNUOKFAOACKTJB-UHFFFAOYSA-N 2 2 286.357 -0.657 20 0 CBADLP CN1CC[N@H+](C)C[C@H]1C(=O)NCCn1cc[nH+]c1 ZINC001185244626 821105704 /nfs/dbraw/zinc/10/57/04/821105704.db2.gz PSVMWSKTOOTUFJ-NSHDSACASA-N 2 2 251.334 -0.755 20 0 CBADLP CN1CC[N@@H+](C)C[C@H]1C(=O)NCCn1cc[nH+]c1 ZINC001185244626 821105707 /nfs/dbraw/zinc/10/57/07/821105707.db2.gz PSVMWSKTOOTUFJ-NSHDSACASA-N 2 2 251.334 -0.755 20 0 CBADLP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)[C@H]1C[NH+](C)CCN1C ZINC001185247155 821110113 /nfs/dbraw/zinc/11/01/13/821110113.db2.gz ZBEDNPQKUIKBJW-YNEHKIRRSA-N 2 2 268.405 -0.217 20 0 CBADLP C[C@@H]1C[NH+](C)[C@@H](C)CN1C(=O)[C@H]1C[N@H+](C)CCN1C ZINC001185247155 821110119 /nfs/dbraw/zinc/11/01/19/821110119.db2.gz ZBEDNPQKUIKBJW-YNEHKIRRSA-N 2 2 268.405 -0.217 20 0 CBADLP C[C@@H]1C[NH+](C)[C@@H](C)CN1C(=O)[C@H]1C[N@@H+](C)CCN1C ZINC001185247155 821110125 /nfs/dbraw/zinc/11/01/25/821110125.db2.gz ZBEDNPQKUIKBJW-YNEHKIRRSA-N 2 2 268.405 -0.217 20 0 CBADLP CC(C)[NH+]1CC(NC(=O)[C@H]2C[N@H+](C)CCN2C)C1 ZINC001185262189 821116807 /nfs/dbraw/zinc/11/68/07/821116807.db2.gz KZFLUHTZXDWNRR-GFCCVEGCSA-N 2 2 254.378 -0.559 20 0 CBADLP CC(C)[NH+]1CC(NC(=O)[C@H]2C[N@@H+](C)CCN2C)C1 ZINC001185262189 821116812 /nfs/dbraw/zinc/11/68/12/821116812.db2.gz KZFLUHTZXDWNRR-GFCCVEGCSA-N 2 2 254.378 -0.559 20 0 CBADLP CC[NH2+][C@@H]1CCN(C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(C)=O)C1 ZINC001185377646 821126955 /nfs/dbraw/zinc/12/69/55/821126955.db2.gz GSZUEACOKUSHEG-YPMHNXCESA-N 2 2 293.371 -0.333 20 0 CBADLP CC[NH2+][C@@H]1CCN(C(=O)[C@H](Cc2c[nH+]c[nH]2)NC(C)=O)C1 ZINC001185377646 821126962 /nfs/dbraw/zinc/12/69/62/821126962.db2.gz GSZUEACOKUSHEG-YPMHNXCESA-N 2 2 293.371 -0.333 20 0 CBADLP CC(C)(O)CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](O)C2)CC1 ZINC001186044733 821157762 /nfs/dbraw/zinc/15/77/62/821157762.db2.gz JORDIYDYUUVCDM-ZDUSSCGKSA-N 2 2 299.415 -0.642 20 0 CBADLP CC(C)(O)CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](O)C2)CC1 ZINC001186044733 821157771 /nfs/dbraw/zinc/15/77/71/821157771.db2.gz JORDIYDYUUVCDM-ZDUSSCGKSA-N 2 2 299.415 -0.642 20 0 CBADLP CC(C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001186575786 821187945 /nfs/dbraw/zinc/18/79/45/821187945.db2.gz CBDYCXQDAZKTMF-LLVKDONJSA-N 2 2 293.371 -0.333 20 0 CBADLP O=C(C[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1)NC1CC1 ZINC001186576775 821189882 /nfs/dbraw/zinc/18/98/82/821189882.db2.gz ZKNGTZJLKMSABI-LLVKDONJSA-N 2 2 291.355 -0.579 20 0 CBADLP COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001187091611 821211460 /nfs/dbraw/zinc/21/14/60/821211460.db2.gz JBQNTUCUBCNFCO-DGCLKSJQSA-N 2 2 296.371 -0.840 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]([NH2+]CCOCCO)C1 ZINC001187091760 821212310 /nfs/dbraw/zinc/21/23/10/821212310.db2.gz MLVYFSGYXBWEMM-GFCCVEGCSA-N 2 2 296.371 -0.838 20 0 CBADLP COCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001187090557 821212789 /nfs/dbraw/zinc/21/27/89/821212789.db2.gz CHTVMYLLEPUDHJ-LLVKDONJSA-N 2 2 266.345 -0.201 20 0 CBADLP O=C([C@H]1CCn2c[nH+]cc2C1)N(CCO)CC[NH2+]CCF ZINC001279746835 828336777 /nfs/dbraw/zinc/33/67/77/828336777.db2.gz UGWDEROOBQANRU-LBPRGKRZSA-N 2 2 298.362 -0.175 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]([NH2+]CCOCCO)C1 ZINC001187421259 822276915 /nfs/dbraw/zinc/27/69/15/822276915.db2.gz ZQQJPMXPNSHLIA-GFCCVEGCSA-N 2 2 296.371 -0.540 20 0 CBADLP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1[NH2+]CCCO ZINC001281449936 828417046 /nfs/dbraw/zinc/41/70/46/828417046.db2.gz FYJAFXMNMMDFSG-JQWIXIFHSA-N 2 2 266.345 -0.229 20 0 CBADLP CCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001188368874 822333261 /nfs/dbraw/zinc/33/32/61/822333261.db2.gz NMKXVXGKBYWUPF-GFCCVEGCSA-N 2 2 293.371 -0.400 20 0 CBADLP C[C@@H](CCNC(=O)CCc1c[nH+]cn1C)[NH2+]CCO ZINC001281764213 828424401 /nfs/dbraw/zinc/42/44/01/828424401.db2.gz WVXZVFHZKJGZFX-NSHDSACASA-N 2 2 268.361 -0.171 20 0 CBADLP C[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)[N@H+](C)CCO ZINC001282400520 828444747 /nfs/dbraw/zinc/44/47/47/828444747.db2.gz ZQWOSVJQLJABIM-JTQLQIEISA-N 2 2 254.334 -0.229 20 0 CBADLP C[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)[N@@H+](C)CCO ZINC001282400520 828444750 /nfs/dbraw/zinc/44/47/50/828444750.db2.gz ZQWOSVJQLJABIM-JTQLQIEISA-N 2 2 254.334 -0.229 20 0 CBADLP C[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)[N@H+](C)CCO ZINC001282400520 828444753 /nfs/dbraw/zinc/44/47/53/828444753.db2.gz ZQWOSVJQLJABIM-JTQLQIEISA-N 2 2 254.334 -0.229 20 0 CBADLP C[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)[N@@H+](C)CCO ZINC001282400520 828444758 /nfs/dbraw/zinc/44/47/58/828444758.db2.gz ZQWOSVJQLJABIM-JTQLQIEISA-N 2 2 254.334 -0.229 20 0 CBADLP C[C@H]1CC[N@H+](CC(=O)NCCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001283152299 828500872 /nfs/dbraw/zinc/50/08/72/828500872.db2.gz TXBWBSXCUISZFM-NSHDSACASA-N 2 2 293.371 -0.474 20 0 CBADLP C[C@H]1CC[N@@H+](CC(=O)NCCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001283152299 828500876 /nfs/dbraw/zinc/50/08/76/828500876.db2.gz TXBWBSXCUISZFM-NSHDSACASA-N 2 2 293.371 -0.474 20 0 CBADLP C[C@H](CCC[NH2+][C@@H]1CCNC1=O)NC(=O)Cc1[nH]cc[nH+]1 ZINC001283258579 828510370 /nfs/dbraw/zinc/51/03/70/828510370.db2.gz BHVODYJDWFMNEF-GHMZBOCLSA-N 2 2 293.371 -0.285 20 0 CBADLP CC(C)OCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001191802236 823925246 /nfs/dbraw/zinc/92/52/46/823925246.db2.gz NIONDAJMDFQUPK-HZSPNIEDSA-N 2 2 299.415 -0.333 20 0 CBADLP CC(C)OCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001191802236 823925254 /nfs/dbraw/zinc/92/52/54/823925254.db2.gz NIONDAJMDFQUPK-HZSPNIEDSA-N 2 2 299.415 -0.333 20 0 CBADLP CC(C)OCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001191802236 823925264 /nfs/dbraw/zinc/92/52/64/823925264.db2.gz NIONDAJMDFQUPK-HZSPNIEDSA-N 2 2 299.415 -0.333 20 0 CBADLP CC(C)OCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001191802236 823925276 /nfs/dbraw/zinc/92/52/76/823925276.db2.gz NIONDAJMDFQUPK-HZSPNIEDSA-N 2 2 299.415 -0.333 20 0 CBADLP C[N@H+](CCCO)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001192549884 823974753 /nfs/dbraw/zinc/97/47/53/823974753.db2.gz AVJBLPXTALWSKR-LBPRGKRZSA-N 2 2 266.345 -0.133 20 0 CBADLP C[N@@H+](CCCO)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001192549884 823974756 /nfs/dbraw/zinc/97/47/56/823974756.db2.gz AVJBLPXTALWSKR-LBPRGKRZSA-N 2 2 266.345 -0.133 20 0 CBADLP CC[NH2+]C[C@@H](O)CN(C)C(=O)CCc1[nH+]ccn1C ZINC001284432697 828594418 /nfs/dbraw/zinc/59/44/18/828594418.db2.gz UGAKTGLJYLAKOY-LLVKDONJSA-N 2 2 268.361 -0.219 20 0 CBADLP COC[C@@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194449190 824074053 /nfs/dbraw/zinc/07/40/53/824074053.db2.gz QJAAEUJPFFPISK-OLZOCXBDSA-N 2 2 296.371 -0.577 20 0 CBADLP COC[C@@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194449190 824074058 /nfs/dbraw/zinc/07/40/58/824074058.db2.gz QJAAEUJPFFPISK-OLZOCXBDSA-N 2 2 296.371 -0.577 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194460493 824075099 /nfs/dbraw/zinc/07/50/99/824075099.db2.gz PACZGPXEBCKPRJ-VXGBXAGGSA-N 2 2 293.371 -0.450 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194460493 824075101 /nfs/dbraw/zinc/07/51/01/824075101.db2.gz PACZGPXEBCKPRJ-VXGBXAGGSA-N 2 2 293.371 -0.450 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194460490 824075674 /nfs/dbraw/zinc/07/56/74/824075674.db2.gz PACZGPXEBCKPRJ-NEPJUHHUSA-N 2 2 293.371 -0.450 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194460490 824075679 /nfs/dbraw/zinc/07/56/79/824075679.db2.gz PACZGPXEBCKPRJ-NEPJUHHUSA-N 2 2 293.371 -0.450 20 0 CBADLP COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001195129038 824104088 /nfs/dbraw/zinc/10/40/88/824104088.db2.gz VHVPLZRJFGWFHL-VXGBXAGGSA-N 2 2 282.344 -0.919 20 0 CBADLP COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001195129038 824104089 /nfs/dbraw/zinc/10/40/89/824104089.db2.gz VHVPLZRJFGWFHL-VXGBXAGGSA-N 2 2 282.344 -0.919 20 0 CBADLP COC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001195129108 824104468 /nfs/dbraw/zinc/10/44/68/824104468.db2.gz YHSFWLLDOBHLRZ-JHJVBQTASA-N 2 2 296.371 -0.531 20 0 CBADLP COC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001195129108 824104472 /nfs/dbraw/zinc/10/44/72/824104472.db2.gz YHSFWLLDOBHLRZ-JHJVBQTASA-N 2 2 296.371 -0.531 20 0 CBADLP CC[N@H+](C)C(C)(C)C(=O)N1CCC[NH+](CC(=O)NC)CC1 ZINC001196340002 824157343 /nfs/dbraw/zinc/15/73/43/824157343.db2.gz CZPCDTQEJQDZFE-UHFFFAOYSA-N 2 2 298.431 -0.003 20 0 CBADLP CC[N@@H+](C)C(C)(C)C(=O)N1CCC[NH+](CC(=O)NC)CC1 ZINC001196340002 824157349 /nfs/dbraw/zinc/15/73/49/824157349.db2.gz CZPCDTQEJQDZFE-UHFFFAOYSA-N 2 2 298.431 -0.003 20 0 CBADLP CC[NH+](C)C(C)(C)C(=O)N1CCC[N@H+](CC(=O)NC)CC1 ZINC001196340002 824157353 /nfs/dbraw/zinc/15/73/53/824157353.db2.gz CZPCDTQEJQDZFE-UHFFFAOYSA-N 2 2 298.431 -0.003 20 0 CBADLP CC[NH+](C)C(C)(C)C(=O)N1CCC[N@@H+](CC(=O)NC)CC1 ZINC001196340002 824157357 /nfs/dbraw/zinc/15/73/57/824157357.db2.gz CZPCDTQEJQDZFE-UHFFFAOYSA-N 2 2 298.431 -0.003 20 0 CBADLP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001196919344 824172197 /nfs/dbraw/zinc/17/21/97/824172197.db2.gz KYDSRSYVDNIMBB-CHWSQXEVSA-N 2 2 296.371 -0.875 20 0 CBADLP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001196919344 824172201 /nfs/dbraw/zinc/17/22/01/824172201.db2.gz KYDSRSYVDNIMBB-CHWSQXEVSA-N 2 2 296.371 -0.875 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CCCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001196942427 824172728 /nfs/dbraw/zinc/17/27/28/824172728.db2.gz BKHJVUAZSTWAJT-LBPRGKRZSA-N 2 2 296.415 -0.264 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CCCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001196942427 824172730 /nfs/dbraw/zinc/17/27/30/824172730.db2.gz BKHJVUAZSTWAJT-LBPRGKRZSA-N 2 2 296.415 -0.264 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CCCN(C(=O)CC[NH+](C)C)CC1 ZINC001197038859 824176231 /nfs/dbraw/zinc/17/62/31/824176231.db2.gz ZJSNGVBNHRYCAK-LLVKDONJSA-N 2 2 270.377 -0.654 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CCCN(C(=O)CC[NH+](C)C)CC1 ZINC001197038859 824176233 /nfs/dbraw/zinc/17/62/33/824176233.db2.gz ZJSNGVBNHRYCAK-LLVKDONJSA-N 2 2 270.377 -0.654 20 0 CBADLP CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001197792655 824203331 /nfs/dbraw/zinc/20/33/31/824203331.db2.gz PMRSWQPEITYKSH-CHWSQXEVSA-N 2 2 296.371 -0.840 20 0 CBADLP CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001197792655 824203338 /nfs/dbraw/zinc/20/33/38/824203338.db2.gz PMRSWQPEITYKSH-CHWSQXEVSA-N 2 2 296.371 -0.840 20 0 CBADLP COCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001198134187 824218731 /nfs/dbraw/zinc/21/87/31/824218731.db2.gz OIKQWWNGHFLMEJ-CHWSQXEVSA-N 2 2 296.371 -0.542 20 0 CBADLP COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001198134187 824218734 /nfs/dbraw/zinc/21/87/34/824218734.db2.gz OIKQWWNGHFLMEJ-CHWSQXEVSA-N 2 2 296.371 -0.542 20 0 CBADLP CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001198275934 824222467 /nfs/dbraw/zinc/22/24/67/824222467.db2.gz HDVFBWUTUBZUCZ-CHWSQXEVSA-N 2 2 280.372 -0.076 20 0 CBADLP CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001198275934 824222476 /nfs/dbraw/zinc/22/24/76/824222476.db2.gz HDVFBWUTUBZUCZ-CHWSQXEVSA-N 2 2 280.372 -0.076 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@H+](CCCF)C[C@H]1O ZINC001198285603 824222976 /nfs/dbraw/zinc/22/29/76/824222976.db2.gz MMIYGPBBOJVJOK-CHWSQXEVSA-N 2 2 298.362 -0.126 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@@H+](CCCF)C[C@H]1O ZINC001198285603 824222983 /nfs/dbraw/zinc/22/29/83/824222983.db2.gz MMIYGPBBOJVJOK-CHWSQXEVSA-N 2 2 298.362 -0.126 20 0 CBADLP COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001199353968 824265148 /nfs/dbraw/zinc/26/51/48/824265148.db2.gz LMSQRSDQVINHIO-CHWSQXEVSA-N 2 2 296.371 -0.529 20 0 CBADLP COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001199353968 824265155 /nfs/dbraw/zinc/26/51/55/824265155.db2.gz LMSQRSDQVINHIO-CHWSQXEVSA-N 2 2 296.371 -0.529 20 0 CBADLP C[C@@H](O)CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001199405825 824266196 /nfs/dbraw/zinc/26/61/96/824266196.db2.gz LWHCKLVUSLJNRV-JHJVBQTASA-N 2 2 296.371 -0.795 20 0 CBADLP C[C@@H](O)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001199405825 824266199 /nfs/dbraw/zinc/26/61/99/824266199.db2.gz LWHCKLVUSLJNRV-JHJVBQTASA-N 2 2 296.371 -0.795 20 0 CBADLP C[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001199398000 824266736 /nfs/dbraw/zinc/26/67/36/824266736.db2.gz HDKHNQIBSZTWCS-YNEHKIRRSA-N 2 2 296.371 -0.795 20 0 CBADLP C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001199398000 824266745 /nfs/dbraw/zinc/26/67/45/824266745.db2.gz HDKHNQIBSZTWCS-YNEHKIRRSA-N 2 2 296.371 -0.795 20 0 CBADLP CNC(=O)C[NH2+]C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001200942803 824326738 /nfs/dbraw/zinc/32/67/38/824326738.db2.gz FRWFBKLPTXXSCR-UHFFFAOYSA-N 2 2 293.371 -0.331 20 0 CBADLP CNC(=O)C[NH2+]C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001200942803 824326745 /nfs/dbraw/zinc/32/67/45/824326745.db2.gz FRWFBKLPTXXSCR-UHFFFAOYSA-N 2 2 293.371 -0.331 20 0 CBADLP COCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCCO1 ZINC001201484720 824333331 /nfs/dbraw/zinc/33/33/31/824333331.db2.gz ZCGNARCUQNVTMW-CYBMUJFWSA-N 2 2 296.371 -0.194 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCO[C@@H](C[NH2+]CCO)C1 ZINC001201952518 824339789 /nfs/dbraw/zinc/33/97/89/824339789.db2.gz LKSDMTGZQJLIKF-LBPRGKRZSA-N 2 2 296.371 -0.540 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CC=C(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001284994411 828638618 /nfs/dbraw/zinc/63/86/18/828638618.db2.gz RACJPKVTDVAKJQ-LLVKDONJSA-N 2 2 291.355 -0.495 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CC=C(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001284994411 828638622 /nfs/dbraw/zinc/63/86/22/828638622.db2.gz RACJPKVTDVAKJQ-LLVKDONJSA-N 2 2 291.355 -0.495 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CCC([NH2+]CCOCCO)CC1 ZINC001202667054 824350289 /nfs/dbraw/zinc/35/02/89/824350289.db2.gz FVADMAVRMRRHNR-UHFFFAOYSA-N 2 2 296.371 -0.458 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001202666935 824350320 /nfs/dbraw/zinc/35/03/20/824350320.db2.gz DNCRFYWVEUJTJK-JTQLQIEISA-N 2 2 293.371 -0.333 20 0 CBADLP [NH3+]C[C@@]1(O)CCCC[N@H+](Cc2cnc3n2CC[NH2+]CC3)C1 ZINC001205671375 824381301 /nfs/dbraw/zinc/38/13/01/824381301.db2.gz AWDVKJCMELBFIX-HNNXBMFYSA-N 3 2 293.415 -0.296 20 0 CBADLP [NH3+]C[C@@]1(O)CCCC[N@@H+](Cc2cnc3n2CC[NH2+]CC3)C1 ZINC001205671375 824381303 /nfs/dbraw/zinc/38/13/03/824381303.db2.gz AWDVKJCMELBFIX-HNNXBMFYSA-N 3 2 293.415 -0.296 20 0 CBADLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC001205829919 824386712 /nfs/dbraw/zinc/38/67/12/824386712.db2.gz QDBQCNWXNMLQHU-PWSUYJOCSA-N 2 2 280.372 -0.357 20 0 CBADLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC001205829919 824386717 /nfs/dbraw/zinc/38/67/17/824386717.db2.gz QDBQCNWXNMLQHU-PWSUYJOCSA-N 2 2 280.372 -0.357 20 0 CBADLP CC(C)(CN1CC[C@@H]([NH3+])[C@H](O)C1)[NH+]1CCOCC1 ZINC001205946402 824390500 /nfs/dbraw/zinc/39/05/00/824390500.db2.gz LKAVDJLWSPOOFE-VXGBXAGGSA-N 2 2 257.378 -0.509 20 0 CBADLP [NH3+]CCNC(=O)c1cccc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c1 ZINC001206530963 824402569 /nfs/dbraw/zinc/40/25/69/824402569.db2.gz YFKFPEHHMJMGNN-KBPBESRZSA-N 3 2 292.383 -0.874 20 0 CBADLP [NH3+]CCNC(=O)c1cccc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c1 ZINC001206530963 824402574 /nfs/dbraw/zinc/40/25/74/824402574.db2.gz YFKFPEHHMJMGNN-KBPBESRZSA-N 3 2 292.383 -0.874 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N1CCC(C[NH2+]CCO)CC1 ZINC001206688646 824405905 /nfs/dbraw/zinc/40/59/05/824405905.db2.gz VFCRBJAPABILFA-UHFFFAOYSA-N 2 2 266.345 -0.227 20 0 CBADLP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001207550740 824430986 /nfs/dbraw/zinc/43/09/86/824430986.db2.gz HQCPANJTQDVIKB-IRUJWGPZSA-N 2 2 282.388 -0.752 20 0 CBADLP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001207550740 824430990 /nfs/dbraw/zinc/43/09/90/824430990.db2.gz HQCPANJTQDVIKB-IRUJWGPZSA-N 2 2 282.388 -0.752 20 0 CBADLP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001208425405 824452104 /nfs/dbraw/zinc/45/21/04/824452104.db2.gz GXJSYNJLQZTLRE-GHMZBOCLSA-N 2 2 282.388 -0.750 20 0 CBADLP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001208425405 824452108 /nfs/dbraw/zinc/45/21/08/824452108.db2.gz GXJSYNJLQZTLRE-GHMZBOCLSA-N 2 2 282.388 -0.750 20 0 CBADLP CC1(C)[NH2+]C[C@@H](C[N@@H+]2CC[C@](C)(CO)[C@@H](O)C2)O1 ZINC001209845772 824476187 /nfs/dbraw/zinc/47/61/87/824476187.db2.gz MKKHHYLKDQBRKX-GMXVVIOVSA-N 2 2 258.362 -0.224 20 0 CBADLP CC1(C)[NH2+]C[C@@H](C[N@H+]2CC[C@](C)(CO)[C@@H](O)C2)O1 ZINC001209845772 824476191 /nfs/dbraw/zinc/47/61/91/824476191.db2.gz MKKHHYLKDQBRKX-GMXVVIOVSA-N 2 2 258.362 -0.224 20 0 CBADLP CC1(C)[NH2+]C[C@@H](C[N@@H+]2CC[C@H](O)[C@](C)(CO)C2)O1 ZINC001209844457 824476206 /nfs/dbraw/zinc/47/62/06/824476206.db2.gz CNSRFAONMPVMQD-GVXVVHGQSA-N 2 2 258.362 -0.224 20 0 CBADLP CC1(C)[NH2+]C[C@@H](C[N@H+]2CC[C@H](O)[C@](C)(CO)C2)O1 ZINC001209844457 824476210 /nfs/dbraw/zinc/47/62/10/824476210.db2.gz CNSRFAONMPVMQD-GVXVVHGQSA-N 2 2 258.362 -0.224 20 0 CBADLP CC1(C)[NH2+]C[C@@H](C[N@@H+]2CC[C@@](C)(CO)[C@H](O)C2)O1 ZINC001209845774 824476597 /nfs/dbraw/zinc/47/65/97/824476597.db2.gz MKKHHYLKDQBRKX-LOWVWBTDSA-N 2 2 258.362 -0.224 20 0 CBADLP CC1(C)[NH2+]C[C@@H](C[N@H+]2CC[C@@](C)(CO)[C@H](O)C2)O1 ZINC001209845774 824476602 /nfs/dbraw/zinc/47/66/02/824476602.db2.gz MKKHHYLKDQBRKX-LOWVWBTDSA-N 2 2 258.362 -0.224 20 0 CBADLP CCOCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](OC)C1 ZINC001213860182 824515758 /nfs/dbraw/zinc/51/57/58/824515758.db2.gz VVOBPNLFHVEBHT-ZIAGYGMSSA-N 2 2 299.415 -0.066 20 0 CBADLP CCOCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](OC)C1 ZINC001213860182 824515760 /nfs/dbraw/zinc/51/57/60/824515760.db2.gz VVOBPNLFHVEBHT-ZIAGYGMSSA-N 2 2 299.415 -0.066 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](OC[C@H]2C[C@H]3CC[NH2+]C[C@@H]3O2)C[NH2+]1 ZINC001217823191 824561772 /nfs/dbraw/zinc/56/17/72/824561772.db2.gz NJIGLQLEUSPCKP-KVSVUVNWSA-N 2 2 284.356 -0.327 20 0 CBADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1cccnc1-n1cccn1 ZINC001218503236 824572580 /nfs/dbraw/zinc/57/25/80/824572580.db2.gz YDAQOWYCYNPPHI-VIFPVBQESA-N 2 2 260.301 -0.118 20 0 CBADLP COC(=O)c1ccc(NC(=O)[C@@H]([NH3+])CC[NH3+])cn1 ZINC001218508810 824575130 /nfs/dbraw/zinc/57/51/30/824575130.db2.gz DNSKKTAVJPOYKT-QMMMGPOBSA-N 2 2 252.274 -0.517 20 0 CBADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)Nc2ncnc3n[nH]nc32)cc1 ZINC001218516310 824578585 /nfs/dbraw/zinc/57/85/85/824578585.db2.gz YRCCUZHNHRTCHG-VIFPVBQESA-N 2 2 298.310 -0.041 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2n[nH]c(-c3ccncc3)n2)C1 ZINC001218523612 824581901 /nfs/dbraw/zinc/58/19/01/824581901.db2.gz RQABEYUSFWPOOB-BDAKNGLRSA-N 2 2 273.300 -0.506 20 0 CBADLP Cc1[nH]nc(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])c1Br ZINC001218525704 824582199 /nfs/dbraw/zinc/58/21/99/824582199.db2.gz ZCDYYMUFVZXCBZ-WDSKDSINSA-N 2 2 288.149 -0.034 20 0 CBADLP Cc1cc2ncc(C)c(NC(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])n2n1 ZINC001218526587 824582660 /nfs/dbraw/zinc/58/26/60/824582660.db2.gz ZFKAZFBXYFUJTI-UWVGGRQHSA-N 2 2 274.328 -0.169 20 0 CBADLP Cc1cc(NC(=O)C[NH2+]C2CC[NH2+]CC2)n2ncnc2n1 ZINC001218527847 824584407 /nfs/dbraw/zinc/58/44/07/824584407.db2.gz OXHQTFLEYBFOSQ-UHFFFAOYSA-N 2 2 289.343 -0.287 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1nc2c(s1)C[C@H]([NH3+])CC2 ZINC001218533130 824585496 /nfs/dbraw/zinc/58/54/96/824585496.db2.gz KDOAUQONMGDSEX-CSMHCCOUSA-N 3 2 281.385 -0.556 20 0 CBADLP COC(=O)[C@@H]([NH3+])CC(=O)Nc1nc2c(s1)C[C@H]([NH3+])CC2 ZINC001218533689 824585804 /nfs/dbraw/zinc/58/58/04/824585804.db2.gz RFCNLVIMDQUVHZ-RQJHMYQMSA-N 2 2 298.368 -0.212 20 0 CBADLP CCOC(=O)c1n[nH]cc1NC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001218553448 824590333 /nfs/dbraw/zinc/59/03/33/824590333.db2.gz CQRBHNLMKOLRGH-UHFFFAOYSA-N 2 2 281.316 -0.394 20 0 CBADLP Cc1nc(NC(=O)[C@@H](N)C[NH+]2CCC([NH3+])CC2)cc(=O)[nH]1 ZINC001218565366 824592752 /nfs/dbraw/zinc/59/27/52/824592752.db2.gz VNBAZRAUJDWRTE-JTQLQIEISA-N 2 2 294.359 -0.820 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2ccnn2Cc2cccnc2)C1 ZINC001218565792 824594878 /nfs/dbraw/zinc/59/48/78/824594878.db2.gz ZVXOLXPBGCXLQC-NEPJUHHUSA-N 2 2 286.339 -0.046 20 0 CBADLP C[NH+]1CCN(c2cc(NC(=O)[C@@H]3COC[NH2+]3)ncn2)CC1 ZINC001218573251 824596610 /nfs/dbraw/zinc/59/66/10/824596610.db2.gz SQRRUEKOVBLVRG-JTQLQIEISA-N 2 2 292.343 -0.887 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cc(OCC2CC2)n[nH]1 ZINC001218577993 824597789 /nfs/dbraw/zinc/59/77/89/824597789.db2.gz BVJKKKISCLLQCH-IUCAKERBSA-N 2 2 265.317 -0.316 20 0 CBADLP COC(=O)c1cncc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)n1 ZINC001218579573 824598451 /nfs/dbraw/zinc/59/84/51/824598451.db2.gz FSUBQFKFXMAWFV-QMMMGPOBSA-N 2 2 290.283 -0.505 20 0 CBADLP Cn1nc(Br)cc1NC(=O)[C@@H]([NH3+])CC[NH3+] ZINC001218582093 824598515 /nfs/dbraw/zinc/59/85/15/824598515.db2.gz DZBUQHCBMPXXAT-YFKPBYRVSA-N 2 2 276.138 -0.203 20 0 CBADLP COc1ncc(NC(=O)C[NH2+]C2CC[NH2+]CC2)cn1 ZINC001218590730 824600380 /nfs/dbraw/zinc/60/03/80/824600380.db2.gz UGWHCWHFCLJKFZ-UHFFFAOYSA-N 2 2 265.317 -0.235 20 0 CBADLP COc1ncc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)cn1 ZINC001218590746 824600900 /nfs/dbraw/zinc/60/09/00/824600900.db2.gz VDEDFAVPOKHGJN-VIFPVBQESA-N 2 2 262.273 -0.283 20 0 CBADLP Nc1cc[nH+]c(-c2cc(NC(=O)[C@@H](N)C[NH3+])ccn2)c1 ZINC001218612409 824603423 /nfs/dbraw/zinc/60/34/23/824603423.db2.gz VDWUBAOFZPEWHI-JTQLQIEISA-N 2 2 272.312 -0.050 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cnn2ccc(Cl)nc12 ZINC001218616167 824604474 /nfs/dbraw/zinc/60/44/74/824604474.db2.gz NQMJXKBZQZAKBP-BQBZGAKWSA-N 2 2 280.719 -0.132 20 0 CBADLP CCOc1cnc(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])cn1 ZINC001218621918 824605719 /nfs/dbraw/zinc/60/57/19/824605719.db2.gz WEBZOIJLVNPITO-YUMQZZPRSA-N 2 2 251.290 -0.640 20 0 CBADLP N=c1c(N)cnc(Cl)n1C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001218622588 824606584 /nfs/dbraw/zinc/60/65/84/824606584.db2.gz TWHBOCLXGMLRKE-REBBBIQUSA-N 2 2 282.735 -0.540 20 0 CBADLP COc1nc(Cl)ncc1NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001218634926 824610316 /nfs/dbraw/zinc/61/03/16/824610316.db2.gz PBQISCYIMGTCEN-RITPCOANSA-N 2 2 271.708 -0.234 20 0 CBADLP COC(=O)c1n[nH]c(C)c1NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001218640032 824612623 /nfs/dbraw/zinc/61/26/23/824612623.db2.gz LJMMKWSZCJCNEY-MRVPVSSYSA-N 2 2 292.299 -0.264 20 0 CBADLP Cc1nc(Cl)c(N)c(=N)n1C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001218642044 824613173 /nfs/dbraw/zinc/61/31/73/824613173.db2.gz NVMLGWKXCVMEBV-WDSKDSINSA-N 2 2 270.724 -0.907 20 0 CBADLP Cc1nc(Cl)c(N)c(=N)n1C(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001218642733 824614079 /nfs/dbraw/zinc/61/40/79/824614079.db2.gz ZUMZFZSMDHGVLM-UHFFFAOYSA-N 2 2 298.778 -0.112 20 0 CBADLP Nc1ncc(Cl)nc1NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001218651692 824615995 /nfs/dbraw/zinc/61/59/95/824615995.db2.gz CNPRBUPOYCCWFF-VCGAMNKESA-N 2 2 282.735 -0.128 20 0 CBADLP Cc1nc(S(C)(=O)=O)ccc1NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001218661866 824618316 /nfs/dbraw/zinc/61/83/16/824618316.db2.gz QGILRCWDQWQGMW-SCZZXKLOSA-N 2 2 298.368 -0.579 20 0 CBADLP Nc1cnc(Cl)c(NC(=O)C2([NH3+])CC[NH2+]CC2)n1 ZINC001218673725 824619645 /nfs/dbraw/zinc/61/96/45/824619645.db2.gz BQFYWAXGLBWAAI-UHFFFAOYSA-N 2 2 270.724 -0.268 20 0 CBADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1nc[nH]c(=O)c1Br ZINC001218680033 824620580 /nfs/dbraw/zinc/62/05/80/824620580.db2.gz OOHFKYQDZIBVLU-BYPYZUCNSA-N 2 2 290.121 -0.441 20 0 CBADLP CN(C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)c1nc(Cl)ccc1N ZINC001218682514 824622176 /nfs/dbraw/zinc/62/21/76/824622176.db2.gz JRYNSQSZIBTFFP-SVRRBLITSA-N 2 2 269.736 -0.031 20 0 CBADLP COCn1cc(NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)cn1 ZINC001218700934 824624719 /nfs/dbraw/zinc/62/47/19/824624719.db2.gz PCGBAGVAUFHIEJ-SNVBAGLBSA-N 2 2 264.289 -0.281 20 0 CBADLP COCn1cc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)cn1 ZINC001218700932 824625147 /nfs/dbraw/zinc/62/51/47/824625147.db2.gz PCGBAGVAUFHIEJ-JTQLQIEISA-N 2 2 264.289 -0.281 20 0 CBADLP CC(=O)c1nn(C)cc1NC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001218707856 824626575 /nfs/dbraw/zinc/62/65/75/824626575.db2.gz OAHYHNXUOMCDEB-UHFFFAOYSA-N 2 2 279.344 -0.097 20 0 CBADLP O=C(Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1)[C@@H]1COCC[NH2+]1 ZINC001218726532 824629234 /nfs/dbraw/zinc/62/92/34/824629234.db2.gz GLJPURYBBOZTPD-NEPJUHHUSA-N 2 2 292.339 -0.251 20 0 CBADLP Cc1cc(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])n(CCF)n1 ZINC001218742776 824631641 /nfs/dbraw/zinc/63/16/41/824631641.db2.gz CEFWNAXGWGUOGT-IUCAKERBSA-N 2 2 255.297 -0.354 20 0 CBADLP CN=c1c(N)cc(Cl)nn1C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001218742236 824631861 /nfs/dbraw/zinc/63/18/61/824631861.db2.gz BGIHDNRAAIWJHV-QMMMGPOBSA-N 2 2 295.734 -0.418 20 0 CBADLP CCOC(=O)c1ncc(NC(=O)[C@@H]([NH3+])CC[NH3+])cn1 ZINC001218757565 824634099 /nfs/dbraw/zinc/63/40/99/824634099.db2.gz RMIDUAYEONQKNM-QMMMGPOBSA-N 2 2 267.289 -0.732 20 0 CBADLP COc1cc(OC)c(NC(=O)[C@@H]([NH3+])CC[NH3+])cn1 ZINC001218760006 824634339 /nfs/dbraw/zinc/63/43/39/824634339.db2.gz SNIANXSENUZSSG-ZETCQYMHSA-N 2 2 254.290 -0.287 20 0 CBADLP CNC(=O)c1cccnc1NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001218764131 824635448 /nfs/dbraw/zinc/63/54/48/824635448.db2.gz HZHLPGHIGQZNEG-APPZFPTMSA-N 2 2 263.301 -0.931 20 0 CBADLP COc1nc(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])c(C)c(OC)n1 ZINC001218767626 824636078 /nfs/dbraw/zinc/63/60/78/824636078.db2.gz CNMNDPUEHYBONS-YUMQZZPRSA-N 2 2 281.316 -0.713 20 0 CBADLP COc1nc(NC(=O)C2([NH3+])CC[NH2+]CC2)c(C)c(OC)n1 ZINC001218768561 824637827 /nfs/dbraw/zinc/63/78/27/824637827.db2.gz OMJJZSUNIWWSHR-UHFFFAOYSA-N 2 2 295.343 -0.178 20 0 CBADLP COC(=O)c1ccc(OC)nc1NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001218790639 824638795 /nfs/dbraw/zinc/63/87/95/824638795.db2.gz NBRDHECKJBUETM-IUCAKERBSA-N 2 2 294.311 -0.638 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1ncccc1CCO ZINC001218790808 824638888 /nfs/dbraw/zinc/63/88/88/824638888.db2.gz UYPJBLMESOKYCQ-LBPRGKRZSA-N 2 2 289.339 -0.142 20 0 CBADLP COC(=O)c1ccc(OC)nc1NC(=O)[C@@H]([NH3+])CC[NH3+] ZINC001218790867 824639440 /nfs/dbraw/zinc/63/94/40/824639440.db2.gz WORQYYOKBQDJFB-QMMMGPOBSA-N 2 2 282.300 -0.509 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cnn2cc(F)ccc12 ZINC001218801098 824640773 /nfs/dbraw/zinc/64/07/73/824640773.db2.gz GYEBVEYUJHKBSO-IUCAKERBSA-N 2 2 263.276 -0.041 20 0 CBADLP CCOc1cc(C(N)=O)ccc1NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001218816615 824641462 /nfs/dbraw/zinc/64/14/62/824641462.db2.gz TZIWCESEIFZGJD-UWVGGRQHSA-N 2 2 292.339 -0.331 20 0 CBADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1ccc(-n2ccnn2)cc1 ZINC001218821433 824641631 /nfs/dbraw/zinc/64/16/31/824641631.db2.gz BVGYQTLGKUYKPM-NSHDSACASA-N 2 2 260.301 -0.118 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc2c(c1)C(=O)NCCO2 ZINC001218814222 824641785 /nfs/dbraw/zinc/64/17/85/824641785.db2.gz AWLZFSYEGVPWOT-QWRGUYRKSA-N 2 2 290.323 -0.706 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC001218836007 824642963 /nfs/dbraw/zinc/64/29/63/824642963.db2.gz RNMAYMSKHNJUFJ-LDWIPMOCSA-N 2 2 261.285 -0.104 20 0 CBADLP COC(=O)Cc1ccc(O)c(NC(=O)[C@@H]([NH3+])CC[NH3+])c1 ZINC001218870644 824644784 /nfs/dbraw/zinc/64/47/84/824644784.db2.gz ZIOCMVWKFDMXBP-VIFPVBQESA-N 2 2 281.312 -0.278 20 0 CBADLP Nc1ccc(NC(=O)C2([NH3+])CC[NH2+]CC2)c(CCO)c1 ZINC001218919828 824648309 /nfs/dbraw/zinc/64/83/09/824648309.db2.gz RVGBNMFDWDXDMD-UHFFFAOYSA-N 2 2 278.356 -0.177 20 0 CBADLP NC(=S)c1cccc(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])c1 ZINC001218969115 824651675 /nfs/dbraw/zinc/65/16/75/824651675.db2.gz ZCNBZWOGTKTMKX-UWVGGRQHSA-N 2 2 264.354 -0.194 20 0 CBADLP COC(=O)c1ccc(N)c(NC(=O)[C@@H]2C[C@H]([NH3+])C[NH2+]2)c1 ZINC001219150062 824669621 /nfs/dbraw/zinc/66/96/21/824669621.db2.gz PLAMGUUPIHKEDH-KWQFWETISA-N 2 2 278.312 -0.317 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2cccc3c2[C@H]2C[NH2+]C[C@@H]2O3)C1 ZINC001219537882 824723083 /nfs/dbraw/zinc/72/30/83/824723083.db2.gz RBJMCKZSSKHMRQ-KOVQTIFSSA-N 3 2 288.351 -0.238 20 0 CBADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)Nc2cccc3c2[C@@H]2C[NH2+]C[C@@H]2O3)C1 ZINC001219542357 824724794 /nfs/dbraw/zinc/72/47/94/824724794.db2.gz RBJMCKZSSKHMRQ-PKCZLINISA-N 3 2 288.351 -0.238 20 0 CBADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1O ZINC001219543447 824725347 /nfs/dbraw/zinc/72/53/47/824725347.db2.gz LIZCBUXAMDRQES-NEPJUHHUSA-N 2 2 278.356 -0.086 20 0 CBADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@H+](CC2CC2)C[C@@H]1O ZINC001219543447 824725348 /nfs/dbraw/zinc/72/53/48/824725348.db2.gz LIZCBUXAMDRQES-NEPJUHHUSA-N 2 2 278.356 -0.086 20 0 CBADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)Nc2cccc3c2[C@H]2C[NH2+]C[C@H]2O3)C1 ZINC001219542356 824725888 /nfs/dbraw/zinc/72/58/88/824725888.db2.gz RBJMCKZSSKHMRQ-LKAMGYQZSA-N 3 2 288.351 -0.238 20 0 CBADLP O=C(NCc1ccc2c(c1)OCO2)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001219551616 824726579 /nfs/dbraw/zinc/72/65/79/824726579.db2.gz DTUKGTJUYGIHLU-ABAIWWIYSA-N 2 2 289.335 -0.017 20 0 CBADLP CC[NH+](CC)CCNC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001219555772 824728828 /nfs/dbraw/zinc/72/88/28/824728828.db2.gz RPGCJFZTIXYUFH-DGCLKSJQSA-N 3 2 254.378 -0.604 20 0 CBADLP CC[NH+](CC)CCNC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001219555839 824729736 /nfs/dbraw/zinc/72/97/36/824729736.db2.gz USTUGMSLKQSVAY-SDDRHHMPSA-N 3 2 254.378 -0.606 20 0 CBADLP CC(=O)N[C@@H](CCCC[NH3+])C(=O)NCCn1cc[nH+]c1 ZINC001219563952 824730528 /nfs/dbraw/zinc/73/05/28/824730528.db2.gz NYQKLQJRZKFFMQ-LBPRGKRZSA-N 2 2 281.360 -0.367 20 0 CBADLP O=C(NCCN1CCCCC1=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001219567336 824733047 /nfs/dbraw/zinc/73/30/47/824733047.db2.gz GQAWWVSZVJIMLF-FZMZJTMJSA-N 2 2 280.372 -0.933 20 0 CBADLP CCn1nnc2c1[C@H](C(=O)N[C@H]1CC[C@H](C)[NH2+]C1)C[NH2+]C2 ZINC001219579794 824734069 /nfs/dbraw/zinc/73/40/69/824734069.db2.gz FQYKFCVDPUDZOB-GARJFASQSA-N 2 2 292.387 -0.259 20 0 CBADLP Cc1cc(C)n(CCNC(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)n1 ZINC001219595611 824738843 /nfs/dbraw/zinc/73/88/43/824738843.db2.gz HZKWBFRHFVKHET-ZDUSSCGKSA-N 2 2 290.371 -0.080 20 0 CBADLP Cc1cc(C)n(CCNC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)n1 ZINC001219595796 824739323 /nfs/dbraw/zinc/73/93/23/824739323.db2.gz QBOYQEVLZZOGDT-MNOVXSKESA-N 2 2 251.334 -0.695 20 0 CBADLP [NH3+]C1(C(=O)NC[C@H](O)c2ccco2)CC[NH2+]CC1 ZINC001219603676 824850402 /nfs/dbraw/zinc/85/04/02/824850402.db2.gz CNSOPCRPCZZJBZ-VIFPVBQESA-N 2 2 253.302 -0.490 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NC[C@H](O)c1ccco1 ZINC001219604579 824850562 /nfs/dbraw/zinc/85/05/62/824850562.db2.gz RWYLZTQHEQJQLV-QWRGUYRKSA-N 2 2 278.312 -0.267 20 0 CBADLP Cc1cc(CNC(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)no1 ZINC001219604187 824850968 /nfs/dbraw/zinc/85/09/68/824850968.db2.gz KJBMAQFHUUTTRN-BXKDBHETSA-N 2 2 250.302 -0.449 20 0 CBADLP [NH3+]C1(C(=O)NC[C@@H](O)c2ccco2)CC[NH2+]CC1 ZINC001219603675 824851085 /nfs/dbraw/zinc/85/10/85/824851085.db2.gz CNSOPCRPCZZJBZ-SECBINFHSA-N 2 2 253.302 -0.490 20 0 CBADLP CC(C)C[C@H](CO)NC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001219631308 824866147 /nfs/dbraw/zinc/86/61/47/824866147.db2.gz WZBATDHGCPPHCT-LOWVWBTDSA-N 2 2 255.362 -0.539 20 0 CBADLP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H](CO)n2cc[nH+]c2)C1 ZINC001219640912 824870509 /nfs/dbraw/zinc/87/05/09/824870509.db2.gz DCCPGRSEPWRDJT-SDDRHHMPSA-N 2 2 266.345 -0.222 20 0 CBADLP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)C1 ZINC001219641157 824870543 /nfs/dbraw/zinc/87/05/43/824870543.db2.gz GBIQAMQGLKRTSA-ROEYZRMQSA-N 3 2 266.389 -0.430 20 0 CBADLP C[C@@H]1C[NH2+]C[C@H](CNC(=O)C2([NH3+])CC[NH2+]CC2)C1 ZINC001219644577 824871835 /nfs/dbraw/zinc/87/18/35/824871835.db2.gz CPZKZLUCHOVMKN-WDEREUQCSA-N 3 2 254.378 -0.571 20 0 CBADLP C[C@H]1C[NH2+]C[C@@H](CNC(=O)C2([NH3+])CC[NH2+]CC2)C1 ZINC001219644575 824872073 /nfs/dbraw/zinc/87/20/73/824872073.db2.gz CPZKZLUCHOVMKN-MNOVXSKESA-N 3 2 254.378 -0.571 20 0 CBADLP C[C@@H]1C[NH2+]C[C@H](CNC(=O)c2cnc3n2CC[NH2+]C3)C1 ZINC001219664257 824876869 /nfs/dbraw/zinc/87/68/69/824876869.db2.gz WZKZSWYUYYVVSO-WDEREUQCSA-N 2 2 277.372 -0.038 20 0 CBADLP CCOC(=O)CCNC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001219690984 824879529 /nfs/dbraw/zinc/87/95/29/824879529.db2.gz GTIXJHWWIXPQIT-LPEHRKFASA-N 2 2 255.318 -0.994 20 0 CBADLP Cc1ccc2c(c1)[C@@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])C(=O)N2 ZINC001219687680 824880158 /nfs/dbraw/zinc/88/01/58/824880158.db2.gz XJJPRJIPWAHCQA-JBLDHEPKSA-N 2 2 274.324 -0.349 20 0 CBADLP C[N@@H+]1CCO[C@H](CNC(=O)[C@H]([NH3+])Cc2cccc(O)c2)C1 ZINC001219695530 824881450 /nfs/dbraw/zinc/88/14/50/824881450.db2.gz VWHLQBUVGHSGET-ZIAGYGMSSA-N 2 2 293.367 -0.291 20 0 CBADLP C[N@H+]1CCO[C@H](CNC(=O)[C@H]([NH3+])Cc2cccc(O)c2)C1 ZINC001219695530 824881455 /nfs/dbraw/zinc/88/14/55/824881455.db2.gz VWHLQBUVGHSGET-ZIAGYGMSSA-N 2 2 293.367 -0.291 20 0 CBADLP C[NH2+][C@@H](CCCC[NH3+])C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC001219694195 824881534 /nfs/dbraw/zinc/88/15/34/824881534.db2.gz GUKWOLJIPFLREJ-RYUDHWBXSA-N 3 2 272.393 -0.850 20 0 CBADLP C[NH2+][C@@H](CCCC[NH3+])C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC001219694195 824881542 /nfs/dbraw/zinc/88/15/42/824881542.db2.gz GUKWOLJIPFLREJ-RYUDHWBXSA-N 3 2 272.393 -0.850 20 0 CBADLP O=C(NC[C@H]1CCC2(CC[NH2+]CC2)O1)C1(F)C[NH2+]C1 ZINC001219741188 824887804 /nfs/dbraw/zinc/88/78/04/824887804.db2.gz CISBGSIDEMFINI-SNVBAGLBSA-N 2 2 271.336 -0.285 20 0 CBADLP [NH3+]C1(C(=O)NC[C@H]2CCC3(CC[NH2+]CC3)O2)CC[NH2+]CC1 ZINC001219744103 824889541 /nfs/dbraw/zinc/88/95/41/824889541.db2.gz SGOBCXVUGOFNFV-GFCCVEGCSA-N 3 2 296.415 -0.515 20 0 CBADLP [NH3+]C1(C(=O)NC[C@@H]2CCC3(CC[NH2+]CC3)O2)CC[NH2+]CC1 ZINC001219744104 824890036 /nfs/dbraw/zinc/89/00/36/824890036.db2.gz SGOBCXVUGOFNFV-LBPRGKRZSA-N 3 2 296.415 -0.515 20 0 CBADLP COC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219743504 824890659 /nfs/dbraw/zinc/89/06/59/824890659.db2.gz FTKYVEKJXNNHFP-QWRGUYRKSA-N 2 2 299.371 -0.706 20 0 CBADLP [NH3+]C1(C(=O)NC[C@@]2(F)CCC[NH2+]C2)CC[NH2+]CC1 ZINC001219769646 824891216 /nfs/dbraw/zinc/89/12/16/824891216.db2.gz YPNHQDORIPREKB-LLVKDONJSA-N 3 2 258.341 -0.725 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1O ZINC001219770155 824892325 /nfs/dbraw/zinc/89/23/25/824892325.db2.gz IZIWUHANZBBFJA-OLZOCXBDSA-N 2 2 278.356 -0.086 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1C[N@H+](CC2CC2)C[C@@H]1O ZINC001219770155 824892330 /nfs/dbraw/zinc/89/23/30/824892330.db2.gz IZIWUHANZBBFJA-OLZOCXBDSA-N 2 2 278.356 -0.086 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1O ZINC001219770155 824892333 /nfs/dbraw/zinc/89/23/33/824892333.db2.gz IZIWUHANZBBFJA-OLZOCXBDSA-N 2 2 278.356 -0.086 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1C[N@H+](CC2CC2)C[C@@H]1O ZINC001219770155 824892337 /nfs/dbraw/zinc/89/23/37/824892337.db2.gz IZIWUHANZBBFJA-OLZOCXBDSA-N 2 2 278.356 -0.086 20 0 CBADLP CC(C)[N@H+]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001219774637 824893003 /nfs/dbraw/zinc/89/30/03/824893003.db2.gz WEQJOMDZVMKYLL-NEPJUHHUSA-N 2 2 266.345 -0.088 20 0 CBADLP CC(C)[N@@H+]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001219774637 824893007 /nfs/dbraw/zinc/89/30/07/824893007.db2.gz WEQJOMDZVMKYLL-NEPJUHHUSA-N 2 2 266.345 -0.088 20 0 CBADLP CC(C)[N@H+]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@@H](O)C1 ZINC001219774637 824893012 /nfs/dbraw/zinc/89/30/12/824893012.db2.gz WEQJOMDZVMKYLL-NEPJUHHUSA-N 2 2 266.345 -0.088 20 0 CBADLP CC(C)[N@@H+]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@@H](O)C1 ZINC001219774637 824893016 /nfs/dbraw/zinc/89/30/16/824893016.db2.gz WEQJOMDZVMKYLL-NEPJUHHUSA-N 2 2 266.345 -0.088 20 0 CBADLP C[C@]1(C(=O)N[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)CC(F)(F)C[NH2+]1 ZINC001219854112 824903464 /nfs/dbraw/zinc/90/34/64/824903464.db2.gz CTWIJDDMOFOPEW-PKIKSRDPSA-N 2 2 275.299 -0.523 20 0 CBADLP CC[C@H](C)[C@@H](CO)NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001219882518 824907077 /nfs/dbraw/zinc/90/70/77/824907077.db2.gz JJCLSUIIMJFFSH-KSLZLVKMSA-N 2 2 255.362 -0.269 20 0 CBADLP CC(C)OC(=O)[C@H](C)NC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001219881140 824908472 /nfs/dbraw/zinc/90/84/72/824908472.db2.gz RFPRKOAHGLMENY-CWSCBRNRSA-N 2 2 269.345 -0.606 20 0 CBADLP CC(=O)N1C[C@H]2C[C@@]2(NC(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)C1 ZINC001219889796 824910962 /nfs/dbraw/zinc/91/09/62/824910962.db2.gz BIQNPTICYQGRQU-SCDSUCTJSA-N 2 2 291.355 -0.973 20 0 CBADLP C[NH+](C)CCCCCNC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001219917959 824914979 /nfs/dbraw/zinc/91/49/79/824914979.db2.gz AAHKNNWMYXYATK-GXTWGEPZSA-N 3 2 268.405 -0.214 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NC[C@H]2Cc3ccccc3O2)C1 ZINC001219925675 824917326 /nfs/dbraw/zinc/91/73/26/824917326.db2.gz RZHJAQOOSWSRCV-UTUOFQBUSA-N 2 2 261.325 -0.205 20 0 CBADLP Cc1[nH+]ccn1CCNC(=O)[C@@H]([NH3+])Cc1cnc[nH]1 ZINC001219935063 824918305 /nfs/dbraw/zinc/91/83/05/824918305.db2.gz ZIUXRRDAWXZFSX-NSHDSACASA-N 2 2 262.317 -0.399 20 0 CBADLP C[NH+](C)Cc1cccc(CNC(=O)CNCC[NH3+])c1 ZINC001219943742 824917933 /nfs/dbraw/zinc/91/79/33/824917933.db2.gz XAUDXRIXSSPVLY-UHFFFAOYSA-N 2 2 264.373 -0.087 20 0 CBADLP Cc1[nH+]ccn1CCNC(=O)[C@@H]([NH3+])Cc1c[nH]cn1 ZINC001219935063 824918302 /nfs/dbraw/zinc/91/83/02/824918302.db2.gz ZIUXRRDAWXZFSX-NSHDSACASA-N 2 2 262.317 -0.399 20 0 CBADLP Cc1c[nH]c(CCNC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)[nH+]1 ZINC001219952114 824920433 /nfs/dbraw/zinc/92/04/33/824920433.db2.gz ONCSJNNYPOEQSI-GFCCVEGCSA-N 3 2 265.361 -0.296 20 0 CBADLP Cc1c[nH]c(CCNC(=O)[C@@H]([NH3+])CC[S@](C)=O)[nH+]1 ZINC001219951796 824921280 /nfs/dbraw/zinc/92/12/80/824921280.db2.gz CBTCSZFMGXECPR-YYSFKGJASA-N 2 2 272.374 -0.527 20 0 CBADLP NC(=O)c1ccc(CNC(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)cc1 ZINC001219961530 824922748 /nfs/dbraw/zinc/92/27/48/824922748.db2.gz NVQMBSQZXBMCJS-IUODEOHRSA-N 2 2 288.351 -0.647 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H]2C[C@@H](F)CC[NH2+]2)C[NH2+]1 ZINC001219965588 824923674 /nfs/dbraw/zinc/92/36/74/824923674.db2.gz SVOJWHYKHUIEGP-JXUBOQSCSA-N 2 2 273.308 -0.904 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@H]2[NH3+])C[NH2+]1 ZINC001219965295 824924469 /nfs/dbraw/zinc/92/44/69/824924469.db2.gz IDLBSODFRUXGCV-KYXWUPHJSA-N 2 2 255.318 -0.867 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NC[C@@H]1CCCCO1 ZINC001219978064 824928217 /nfs/dbraw/zinc/92/82/17/824928217.db2.gz BVKIDINZNIPUDF-RYUDHWBXSA-N 2 2 266.345 -0.025 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NCC(=O)NC1CCCC1 ZINC001219974945 824928283 /nfs/dbraw/zinc/92/82/83/824928283.db2.gz IYRABNVJKJNVCZ-LBPRGKRZSA-N 2 2 293.371 -0.535 20 0 CBADLP C[NH+]1CC(NC(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C1 ZINC001220013063 824934273 /nfs/dbraw/zinc/93/42/73/824934273.db2.gz HHPUURPTKXRCDQ-NSHDSACASA-N 3 2 252.362 -0.709 20 0 CBADLP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)NC1C[NH+](C)C1 ZINC001220012725 824934745 /nfs/dbraw/zinc/93/47/45/824934745.db2.gz AXQUFELFFJIBGU-LBPRGKRZSA-N 3 2 256.394 -0.088 20 0 CBADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)NC2(CO)CCOCC2)cc1 ZINC001220018547 824934885 /nfs/dbraw/zinc/93/48/85/824934885.db2.gz HWZPYZAIDGOVKK-CYBMUJFWSA-N 2 2 293.367 -0.084 20 0 CBADLP C[NH+]1CC(NC(=O)[C@H](Cc2ccccc2)NC(=O)C[NH3+])C1 ZINC001220013184 824935373 /nfs/dbraw/zinc/93/53/73/824935373.db2.gz KIPNXFPWBSKCBM-ZDUSSCGKSA-N 2 2 290.367 -0.897 20 0 CBADLP CC(C)[C@@](C)(NC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C)C(N)=O ZINC001220022634 824936367 /nfs/dbraw/zinc/93/63/67/824936367.db2.gz JUNVPSSQJMNQAM-GXFFZTMASA-N 2 2 281.360 -0.694 20 0 CBADLP CC(C)[C@](C)(NC(=O)C[NH2+]C1CC[NH2+]CC1)C(N)=O ZINC001220023095 824937978 /nfs/dbraw/zinc/93/79/78/824937978.db2.gz QFVPGHVUAOIEMD-ZDUSSCGKSA-N 2 2 270.377 -0.656 20 0 CBADLP O=C(NCc1ccncc1F)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220036802 824941003 /nfs/dbraw/zinc/94/10/03/824941003.db2.gz WKEBXZCFAVYRLJ-GWCFXTLKSA-N 2 2 264.304 -0.212 20 0 CBADLP COC(=O)CCCCCNC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001220047942 824943709 /nfs/dbraw/zinc/94/37/09/824943709.db2.gz FJZKPARZILWGIP-UHFFFAOYSA-N 2 2 271.361 -0.083 20 0 CBADLP COC(=O)[C@H](COC(C)(C)C)NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001220088782 824952871 /nfs/dbraw/zinc/95/28/71/824952871.db2.gz PGAWDLISRKNGLC-GUBZILKMSA-N 2 2 287.360 -0.994 20 0 CBADLP CCOC(=O)C(F)(F)CNC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001220096574 824953177 /nfs/dbraw/zinc/95/31/77/824953177.db2.gz CNJHAMJIOBTRFP-XLDPMVHQSA-N 2 2 291.298 -0.477 20 0 CBADLP O=C(NC[C@H](O)c1ccc(O)cc1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220112767 824957979 /nfs/dbraw/zinc/95/79/79/824957979.db2.gz AEMRKMKIBPZBLH-CORIIIEPSA-N 2 2 291.351 -0.507 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NC[C@@H](O)c2ccc(O)cc2)C1 ZINC001220112835 824959030 /nfs/dbraw/zinc/95/90/30/824959030.db2.gz BNQZXLJRCSMILF-ADEWGFFLSA-N 2 2 265.313 -0.769 20 0 CBADLP Cc1cnc(=O)[nH]c1NC(=O)[C@@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001220124692 824960679 /nfs/dbraw/zinc/96/06/79/824960679.db2.gz HSHXGJZSTHKCEO-JTQLQIEISA-N 2 2 294.359 -0.820 20 0 CBADLP O=C(NCc1cccc(F)n1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220125024 824962361 /nfs/dbraw/zinc/96/23/61/824962361.db2.gz VAQOUOQFCHXDIP-NOZJJQNGSA-N 2 2 264.304 -0.212 20 0 CBADLP CCOC(=O)C1=C(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)[C@H](C)OC1 ZINC001220138667 824965888 /nfs/dbraw/zinc/96/58/88/824965888.db2.gz BVPHOLHIDGLZKL-XKSSXDPKSA-N 2 2 283.328 -0.972 20 0 CBADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)NC[C@H]1C[C@H](F)C1 ZINC001220148223 824969136 /nfs/dbraw/zinc/96/91/36/824969136.db2.gz QYXLUHPGJGLTPH-NHCYSSNCSA-N 2 2 272.368 -0.399 20 0 CBADLP [NH3+]C1(C(=O)NCc2cc[nH]c(=O)c2)CC[NH2+]CC1 ZINC001220148355 824969782 /nfs/dbraw/zinc/96/97/82/824969782.db2.gz XZXLRHCFHDCPAH-UHFFFAOYSA-N 2 2 250.302 -0.516 20 0 CBADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001220158977 824973642 /nfs/dbraw/zinc/97/36/42/824973642.db2.gz KTCTXKOEXIXRAX-OUJBWJOFSA-N 2 2 293.375 -0.892 20 0 CBADLP N=C(NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)c1ccc(F)cn1 ZINC001220170388 824976847 /nfs/dbraw/zinc/97/68/47/824976847.db2.gz JLMNENPOYOERTO-VIFPVBQESA-N 2 2 276.275 -0.045 20 0 CBADLP Cn1ccc(CNC(=O)C2([NH3+])CC[NH2+]CC2)cc1=O ZINC001220179426 824979604 /nfs/dbraw/zinc/97/96/04/824979604.db2.gz KUKPWAAHMCZKLM-UHFFFAOYSA-N 2 2 264.329 -0.918 20 0 CBADLP C[C@H](NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)c1cncnc1 ZINC001220181640 824981424 /nfs/dbraw/zinc/98/14/24/824981424.db2.gz XGRRTPZJKAIOJA-KWQFWETISA-N 2 2 260.301 -0.053 20 0 CBADLP NC1(C(=O)NC[C@H]2CC[NH2+]CC2(F)F)CC[NH2+]CC1 ZINC001220186615 824982318 /nfs/dbraw/zinc/98/23/18/824982318.db2.gz SKHSHBXUNLZQFY-SECBINFHSA-N 2 2 276.331 -0.572 20 0 CBADLP O=C(NC[C@H]1CC[NH2+]CC1(F)F)[C@H]1[NH2+]CC[C@@H]1O ZINC001220189269 824982789 /nfs/dbraw/zinc/98/27/89/824982789.db2.gz NLRIHOPLONOQJB-VGMNWLOBSA-N 2 2 263.288 -0.930 20 0 CBADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220185379 824983109 /nfs/dbraw/zinc/98/31/09/824983109.db2.gz GVBYALGYFOAUKR-VHSXEESVSA-N 3 2 288.342 -0.844 20 0 CBADLP N[C@@]1(C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)CCC[NH2+]C1 ZINC001220186403 824983361 /nfs/dbraw/zinc/98/33/61/824983361.db2.gz PFVKHAOADOJNLD-ONGXEEELSA-N 2 2 276.331 -0.572 20 0 CBADLP CC1(C)C[C@@H](CNC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)O1 ZINC001220200514 824985659 /nfs/dbraw/zinc/98/56/59/824985659.db2.gz MOYFSWFLOYYXHS-WTBMIXGQSA-N 2 2 253.346 -0.108 20 0 CBADLP O=C(NC1(c2cccnn2)CC1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220209742 824987686 /nfs/dbraw/zinc/98/76/86/824987686.db2.gz CJGRSTOJTZYJQV-IINYFYTJSA-N 2 2 273.340 -0.467 20 0 CBADLP CCOC(CCNC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2)OCC ZINC001220230211 824991335 /nfs/dbraw/zinc/99/13/35/824991335.db2.gz DUTCJVRJCCJTFC-RISCZKNCSA-N 2 2 285.388 -0.157 20 0 CBADLP C[NH+](C)CC(C)(C)CNC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220254082 824995563 /nfs/dbraw/zinc/99/55/63/824995563.db2.gz JDMWXCKOWSLOEV-NSHDSACASA-N 3 2 267.377 -0.017 20 0 CBADLP C[N@@H+]1CCC[C@@H]1CCNC(=O)[C@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001220254746 824996253 /nfs/dbraw/zinc/99/62/53/824996253.db2.gz VZWZSWMMJBIHAY-ZIAGYGMSSA-N 3 2 297.447 -0.663 20 0 CBADLP C[N@H+]1CCC[C@@H]1CCNC(=O)[C@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001220254746 824996255 /nfs/dbraw/zinc/99/62/55/824996255.db2.gz VZWZSWMMJBIHAY-ZIAGYGMSSA-N 3 2 297.447 -0.663 20 0 CBADLP C[N@@H+]1CCC[C@@H]1CCNC(=O)[C@@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001220254744 824997126 /nfs/dbraw/zinc/99/71/26/824997126.db2.gz VZWZSWMMJBIHAY-KGLIPLIRSA-N 3 2 297.447 -0.663 20 0 CBADLP C[N@H+]1CCC[C@@H]1CCNC(=O)[C@@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001220254744 824997131 /nfs/dbraw/zinc/99/71/31/824997131.db2.gz VZWZSWMMJBIHAY-KGLIPLIRSA-N 3 2 297.447 -0.663 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NCCC(=O)Nc1ccc(F)cc1 ZINC001220269212 824999109 /nfs/dbraw/zinc/99/91/09/824999109.db2.gz XLFAMLJVOPOGHM-RYUDHWBXSA-N 2 2 294.330 -0.183 20 0 CBADLP CC1(C)OCC(NC(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)CO1 ZINC001220270697 824999709 /nfs/dbraw/zinc/99/97/09/824999709.db2.gz CNIFISIDXOCDJX-TVQRCGJNSA-N 2 2 269.345 -0.794 20 0 CBADLP CC1(C)OCC(NC(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)CO1 ZINC001220270695 825000077 /nfs/dbraw/zinc/00/00/77/825000077.db2.gz CNIFISIDXOCDJX-NOZJJQNGSA-N 2 2 269.345 -0.794 20 0 CBADLP [NH3+]C1(C(=O)NCCn2nnc3ccccc32)CC[NH2+]CC1 ZINC001220272616 825001401 /nfs/dbraw/zinc/00/14/01/825001401.db2.gz GJPCAZZRFZFVSO-UHFFFAOYSA-N 2 2 288.355 -0.372 20 0 CBADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2ccccn2)C[C@@H]1O ZINC001220272045 825001601 /nfs/dbraw/zinc/00/16/01/825001601.db2.gz PSWFYEKJQITDKA-KGLIPLIRSA-N 2 2 292.383 -0.305 20 0 CBADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2ccccn2)C[C@@H]1O ZINC001220272045 825001605 /nfs/dbraw/zinc/00/16/05/825001605.db2.gz PSWFYEKJQITDKA-KGLIPLIRSA-N 2 2 292.383 -0.305 20 0 CBADLP CC1(C)OCC(NC(=O)C2([NH3+])CC[NH2+]CC2)CO1 ZINC001220270966 825002043 /nfs/dbraw/zinc/00/20/43/825002043.db2.gz OCHCYIQICRWCCP-UHFFFAOYSA-N 2 2 257.334 -0.665 20 0 CBADLP C[NH2+][C@@H](CCCC[NH3+])C(=O)NCc1c[nH+]cn1CCOC ZINC001220274646 825002444 /nfs/dbraw/zinc/00/24/44/825002444.db2.gz MDQNCUTWTBSZRM-ZDUSSCGKSA-N 3 2 297.403 -0.137 20 0 CBADLP COCCn1c[nH+]cc1CNC(=O)C[C@H]1COCC[NH2+]1 ZINC001220275228 825003230 /nfs/dbraw/zinc/00/32/30/825003230.db2.gz VVBAYFDCULXSKO-NSHDSACASA-N 2 2 282.344 -0.476 20 0 CBADLP COCCn1c[nH+]cc1CNC(=O)[C@H]1CC[C@@H]1[NH3+] ZINC001220274622 825004280 /nfs/dbraw/zinc/00/42/80/825004280.db2.gz LARNCCJIPQDSPX-QWRGUYRKSA-N 2 2 252.318 -0.117 20 0 CBADLP O=C(NCCc1cn2ccccc2n1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220278624 825005563 /nfs/dbraw/zinc/00/55/63/825005563.db2.gz YTZHFWHSDGAOIM-BLLLJJGKSA-N 2 2 299.378 -0.056 20 0 CBADLP O=C(CC1CC[NH2+]CC1)N[C@@H](CO)Cc1c[nH]c[nH+]1 ZINC001220291207 825006680 /nfs/dbraw/zinc/00/66/80/825006680.db2.gz OMRKZTMRVKYSQH-GFCCVEGCSA-N 2 2 266.345 -0.181 20 0 CBADLP O=C(CC1CC[NH2+]CC1)N[C@@H](CO)Cc1c[nH+]c[nH]1 ZINC001220291207 825006691 /nfs/dbraw/zinc/00/66/91/825006691.db2.gz OMRKZTMRVKYSQH-GFCCVEGCSA-N 2 2 266.345 -0.181 20 0 CBADLP [NH3+][C@@H]1CCC[C@H]1C(=O)N[C@@H](CO)Cc1c[nH]c[nH+]1 ZINC001220290887 825007097 /nfs/dbraw/zinc/00/70/97/825007097.db2.gz HCUNMMPNTTZRMI-GMTAPVOTSA-N 2 2 252.318 -0.443 20 0 CBADLP [NH3+][C@@H]1CCC[C@H]1C(=O)N[C@@H](CO)Cc1c[nH+]c[nH]1 ZINC001220290887 825007108 /nfs/dbraw/zinc/00/71/08/825007108.db2.gz HCUNMMPNTTZRMI-GMTAPVOTSA-N 2 2 252.318 -0.443 20 0 CBADLP [NH3+]C1(C(=O)NCc2ncn3c2C[NH2+]CCC3)CC[NH2+]CC1 ZINC001220311718 825012267 /nfs/dbraw/zinc/01/22/67/825012267.db2.gz PVILMYMEOUDPFB-UHFFFAOYSA-N 3 2 292.387 -0.927 20 0 CBADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CC12CCOCC2 ZINC001220329242 825017034 /nfs/dbraw/zinc/01/70/34/825017034.db2.gz KBNLILFZJGLKHK-MNOVXSKESA-N 2 2 264.329 -0.035 20 0 CBADLP COc1ccc(CNC(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)nn1 ZINC001220342947 825018159 /nfs/dbraw/zinc/01/81/59/825018159.db2.gz BQSFGLAIUSLGJP-TVQRCGJNSA-N 2 2 277.328 -0.947 20 0 CBADLP CCOC(=O)C1(NC(=O)[C@@H]2COCC[NH2+]2)CC[NH+](C)CC1 ZINC001220345762 825019971 /nfs/dbraw/zinc/01/99/71/825019971.db2.gz OCYSZNREYUZZIC-NSHDSACASA-N 2 2 299.371 -0.882 20 0 CBADLP O=C(NCc1ccc(Cl)nn1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220368718 825021653 /nfs/dbraw/zinc/02/16/53/825021653.db2.gz KZDPBKKKEXESAW-UFBFGSQYSA-N 2 2 281.747 -0.302 20 0 CBADLP CCOC(=O)C1(CNC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])CCC1 ZINC001220370815 825021695 /nfs/dbraw/zinc/02/16/95/825021695.db2.gz DTGIWNALXCBKNT-UWVGGRQHSA-N 2 2 269.345 -0.617 20 0 CBADLP C[C@H](NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)c1cnccn1 ZINC001220369477 825021718 /nfs/dbraw/zinc/02/17/18/825021718.db2.gz WSYWLZGKHHHDOG-WPRPVWTQSA-N 2 2 260.301 -0.053 20 0 CBADLP C[C@@H](NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)c1cnccn1 ZINC001220369475 825021873 /nfs/dbraw/zinc/02/18/73/825021873.db2.gz WSYWLZGKHHHDOG-SCZZXKLOSA-N 2 2 260.301 -0.053 20 0 CBADLP C[NH+](C)CCC(C)(C)NC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220385926 825026984 /nfs/dbraw/zinc/02/69/84/825026984.db2.gz DKLRFXIHNAKHNC-SMDDNHRTSA-N 3 2 268.405 -0.216 20 0 CBADLP O=C(NCc1ncccc1O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220389690 825027399 /nfs/dbraw/zinc/02/73/99/825027399.db2.gz BULVMQIYBYKZHG-ZANVPECISA-N 2 2 262.313 -0.645 20 0 CBADLP COc1ccc(CCNC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)nc1 ZINC001220396855 825030390 /nfs/dbraw/zinc/03/03/90/825030390.db2.gz OOUHWZSTMKPUMI-SKDRFNHKSA-N 2 2 264.329 -0.562 20 0 CBADLP COC(=O)[C@@H]1CC[C@@H](NC(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)C1 ZINC001220405827 825031651 /nfs/dbraw/zinc/03/16/51/825031651.db2.gz DQPVWJJPYILOGK-FOGDFJRCSA-N 2 2 294.355 -0.252 20 0 CBADLP [NH3+]CC[C@H]([NH3+])C(=O)N[C@@H]1c2ccccc2CNC1=O ZINC001220403566 825031908 /nfs/dbraw/zinc/03/19/08/825031908.db2.gz VUYWWYQXZLFCHY-WDEREUQCSA-N 2 2 262.313 -0.850 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NC[C@H](CO)Cc1ccccc1 ZINC001220406142 825033021 /nfs/dbraw/zinc/03/30/21/825033021.db2.gz LBIHVQUDRIRCLA-RDBSUJKOSA-N 2 2 277.368 -0.500 20 0 CBADLP NC[C@H]([NH3+])c1ccc(C(=O)NC[C@H]2COCC[NH2+]2)cc1 ZINC001220431591 825039636 /nfs/dbraw/zinc/03/96/36/825039636.db2.gz KKWXIHNTPVWRNA-STQMWFEESA-N 2 2 278.356 -0.637 20 0 CBADLP C[S@@](=O)CC[C@H]([NH3+])C(=O)NC1CC[NH+](CCF)CC1 ZINC001220436593 825040060 /nfs/dbraw/zinc/04/00/60/825040060.db2.gz XPSIWCBOBIJLFR-JEOXALJRSA-N 2 2 293.408 -0.368 20 0 CBADLP CSc1nc(NC(=O)C2([NH3+])CC[NH2+]CC2)cc(=O)n1C ZINC001220435254 825040109 /nfs/dbraw/zinc/04/01/09/825040109.db2.gz FTNXGSRJNUDDNG-UHFFFAOYSA-N 2 2 297.384 -0.478 20 0 CBADLP O=C(CNC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)Cc1ccccc1 ZINC001220462402 825043478 /nfs/dbraw/zinc/04/34/78/825043478.db2.gz BTBSXEUPMRXCEZ-AEGPPILISA-N 2 2 287.363 -0.136 20 0 CBADLP [NH3+][C@H](CNC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2)c1ccccc1 ZINC001220500273 825052657 /nfs/dbraw/zinc/05/26/57/825052657.db2.gz HPJDQTKBRAADMC-UMVBOHGHSA-N 3 2 274.368 -0.246 20 0 CBADLP O=C(NCc1nccc(Cl)n1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220529705 825058993 /nfs/dbraw/zinc/05/89/93/825058993.db2.gz IFNXEBREMMPMCM-XHNCKOQMSA-N 2 2 281.747 -0.304 20 0 CBADLP COC(=O)C[C@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])c1cccnc1 ZINC001220530223 825059550 /nfs/dbraw/zinc/05/95/50/825059550.db2.gz NWZQNMQWFNFYKS-SRVKXCTJSA-N 2 2 292.339 -0.651 20 0 CBADLP O=C(NCc1nccc(Cl)n1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220529574 825059668 /nfs/dbraw/zinc/05/96/68/825059668.db2.gz FDBQYHCUWBKSEN-PRHODGIISA-N 2 2 281.747 -0.302 20 0 CBADLP C[C@@H]1COCC[C@@H]1NC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220566000 825063264 /nfs/dbraw/zinc/06/32/64/825063264.db2.gz WTOBPEHAJRHLMV-BLFANLJRSA-N 2 2 253.346 -0.521 20 0 CBADLP C[C@@H](OC(C)(C)C)[C@@H]([NH3+])C(=O)NCC[NH+]1CC2(COC2)C1 ZINC001220571779 825066940 /nfs/dbraw/zinc/06/69/40/825066940.db2.gz ZPCBGSCQDVVUMP-VXGBXAGGSA-N 2 2 299.415 -0.034 20 0 CBADLP COC(=O)[C@H](NC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2)C(F)(F)F ZINC001220588455 825071690 /nfs/dbraw/zinc/07/16/90/825071690.db2.gz UAWAQVYJDZAYGU-FWWHASMVSA-N 2 2 295.261 -0.842 20 0 CBADLP C[C@@H](NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)c1ncc(F)cn1 ZINC001220599005 825075250 /nfs/dbraw/zinc/07/52/50/825075250.db2.gz JLUVJAMUTBYSDF-YKDSUIRESA-N 2 2 279.319 -0.257 20 0 CBADLP O=C(C[NH2+]C1CC[NH2+]CC1)N[C@@H]1NC(=O)c2ccccc21 ZINC001220620402 825077128 /nfs/dbraw/zinc/07/71/28/825077128.db2.gz UJJSXFHHOKGBMZ-CQSZACIVSA-N 2 2 288.351 -0.114 20 0 CBADLP N=C(NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)c1cccnc1Cl ZINC001220660905 825081725 /nfs/dbraw/zinc/08/17/25/825081725.db2.gz OETASHMTUVFDJH-SVRRBLITSA-N 2 2 267.720 -0.134 20 0 CBADLP CCOC(=O)[C@@H]1CCC[C@@H]1NC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220660535 825081983 /nfs/dbraw/zinc/08/19/83/825081983.db2.gz IMTZCTVYOQGLRD-OXIQGZBJSA-N 2 2 295.383 -0.214 20 0 CBADLP CCOC(=O)[C@@H]1CCC[C@@H]1NC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220660567 825082729 /nfs/dbraw/zinc/08/27/29/825082729.db2.gz IMTZCTVYOQGLRD-OZTPJHRESA-N 2 2 295.383 -0.214 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NCc1ccc(-n2cccn2)nc1 ZINC001220673763 825083558 /nfs/dbraw/zinc/08/35/58/825083558.db2.gz LICGJXFAARKASW-RYUDHWBXSA-N 2 2 286.339 -0.570 20 0 CBADLP COC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001220681113 825085711 /nfs/dbraw/zinc/08/57/11/825085711.db2.gz VYIGSXZFSGDRJJ-ZDCRXTMVSA-N 2 2 269.345 -0.334 20 0 CBADLP CC(=O)CC(C)(C)NC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220687208 825086677 /nfs/dbraw/zinc/08/66/77/825086677.db2.gz IUDOIPUSDKLFIN-ZWNOBZJWSA-N 2 2 253.346 -0.188 20 0 CBADLP CC(C)(CC(=O)N1CCCC1)NC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001220687486 825087332 /nfs/dbraw/zinc/08/73/32/825087332.db2.gz OHBKFLDNWOIPGW-UHFFFAOYSA-N 2 2 296.415 -0.025 20 0 CBADLP Nc1ncc(CCNC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)s1 ZINC001220704614 825089245 /nfs/dbraw/zinc/08/92/45/825089245.db2.gz SYFBHRHMHBVKMO-UJNFCWOMSA-N 2 2 281.385 -0.666 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]([NH3+])C1CCC(O)CC1 ZINC001220724050 825093311 /nfs/dbraw/zinc/09/33/11/825093311.db2.gz CTELDMHYJNVIOB-RYSNWHEDSA-N 2 2 299.415 -0.298 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]([NH3+])C1CCC(O)CC1 ZINC001220724050 825093321 /nfs/dbraw/zinc/09/33/21/825093321.db2.gz CTELDMHYJNVIOB-RYSNWHEDSA-N 2 2 299.415 -0.298 20 0 CBADLP C[NH2+][C@@H](CCCC[NH3+])C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC001220725191 825093371 /nfs/dbraw/zinc/09/33/71/825093371.db2.gz NWDNUURSDHXHBI-STQMWFEESA-N 3 2 286.420 -0.460 20 0 CBADLP C[NH2+][C@@H](CCCC[NH3+])C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC001220725191 825093381 /nfs/dbraw/zinc/09/33/81/825093381.db2.gz NWDNUURSDHXHBI-STQMWFEESA-N 3 2 286.420 -0.460 20 0 CBADLP CC(=O)NC[C@H](C)CNC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220757212 825096796 /nfs/dbraw/zinc/09/67/96/825096796.db2.gz XCTLISBZHXNJPE-KWQFWETISA-N 2 2 267.333 -0.832 20 0 CBADLP CC(=O)NCCCCCNC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220758696 825097848 /nfs/dbraw/zinc/09/78/48/825097848.db2.gz JIGOTMOZMAISPB-LBPRGKRZSA-N 2 2 281.360 -0.298 20 0 CBADLP CC(=O)NC[C@@H](C)CNC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220757211 825098217 /nfs/dbraw/zinc/09/82/17/825098217.db2.gz XCTLISBZHXNJPE-KCJUWKMLSA-N 2 2 267.333 -0.832 20 0 CBADLP CC1(C)[C@H](O)C[C@H]1NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220765776 825098953 /nfs/dbraw/zinc/09/89/53/825098953.db2.gz FCIWZGXQBJAKLB-FBDQPXRJSA-N 2 2 253.346 -0.788 20 0 CBADLP CC1(C)[C@H](O)C[C@H]1NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220766188 825099459 /nfs/dbraw/zinc/09/94/59/825099459.db2.gz NGSJIMZFKVJEDJ-OPRDCNLKSA-N 2 2 252.318 -0.445 20 0 CBADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC001220770138 825099963 /nfs/dbraw/zinc/09/99/63/825099963.db2.gz UINRDWVPQZNHPJ-UTUOFQBUSA-N 2 2 294.355 -0.252 20 0 CBADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)[C@@H](C)C[NH3+] ZINC001220772606 825100936 /nfs/dbraw/zinc/10/09/36/825100936.db2.gz PYGNNYZGDUKKGO-WPRPVWTQSA-N 2 2 268.317 -0.785 20 0 CBADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N[C@H]2CC[NH2+]C[C@H]2C(F)(F)F)C1 ZINC001220806045 825104732 /nfs/dbraw/zinc/10/47/32/825104732.db2.gz XEXRLXJMJRDRRX-KZVJFYERSA-N 3 2 280.294 -0.668 20 0 CBADLP CCOC(=O)[C@H](C)CNC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220848801 825110835 /nfs/dbraw/zinc/11/08/35/825110835.db2.gz JDTLGKDGKPYYDD-PSASIEDQSA-N 2 2 268.317 -0.405 20 0 CBADLP CCOCC[N@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](O)C1 ZINC001220852240 825112429 /nfs/dbraw/zinc/11/24/29/825112429.db2.gz ASOCWPGNNIHLLI-OLZOCXBDSA-N 2 2 296.371 -0.542 20 0 CBADLP CCOCC[N@@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](O)C1 ZINC001220852240 825112435 /nfs/dbraw/zinc/11/24/35/825112435.db2.gz ASOCWPGNNIHLLI-OLZOCXBDSA-N 2 2 296.371 -0.542 20 0 CBADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NCCO[C@@H]1CCCCO1 ZINC001220862009 825113352 /nfs/dbraw/zinc/11/33/52/825113352.db2.gz LWDYTEIXDTTYJI-VXGBXAGGSA-N 2 2 282.344 -0.061 20 0 CBADLP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220857757 825113465 /nfs/dbraw/zinc/11/34/65/825113465.db2.gz QNJUIWFUWZSNCP-OUJBWJOFSA-N 3 2 254.378 -0.573 20 0 CBADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NCCO[C@H]1CCCCO1 ZINC001220862006 825113528 /nfs/dbraw/zinc/11/35/28/825113528.db2.gz LWDYTEIXDTTYJI-NEPJUHHUSA-N 2 2 282.344 -0.061 20 0 CBADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCO[C@H]1CCCCO1 ZINC001220862008 825113567 /nfs/dbraw/zinc/11/35/67/825113567.db2.gz LWDYTEIXDTTYJI-RYUDHWBXSA-N 2 2 282.344 -0.061 20 0 CBADLP O=C(NCCO[C@H]1CCCCO1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220861786 825113597 /nfs/dbraw/zinc/11/35/97/825113597.db2.gz DOTVSVNBLQWQOB-RVMXOQNASA-N 2 2 283.372 -0.404 20 0 CBADLP [NH3+][C@H](C(=O)NCCN1CC[NH2+]CC1=O)c1ccsc1 ZINC001220872162 825117051 /nfs/dbraw/zinc/11/70/51/825117051.db2.gz MPCVIELJIBNPLG-NSHDSACASA-N 2 2 282.369 -0.704 20 0 CBADLP [NH3+][C@@H](C(=O)NCCN1CC[NH2+]CC1=O)c1ccccc1 ZINC001220872216 825117161 /nfs/dbraw/zinc/11/71/61/825117161.db2.gz OSBKQCCZFCALGC-CYBMUJFWSA-N 2 2 276.340 -0.766 20 0 CBADLP COc1cncc(CNC(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)c1 ZINC001220871306 825117523 /nfs/dbraw/zinc/11/75/23/825117523.db2.gz ZMMYXYRZFDEGBQ-SMDDNHRTSA-N 2 2 276.340 -0.342 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](C(=O)N[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001220887280 825121301 /nfs/dbraw/zinc/12/13/01/825121301.db2.gz YYPAQMIRRPVJRS-AXFHLTTASA-N 2 2 269.345 -0.604 20 0 CBADLP CCC(=O)N1CC[C@H](NC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)C1 ZINC001220906848 825122661 /nfs/dbraw/zinc/12/26/61/825122661.db2.gz AYVYOFZQQURIIL-FIQHERPVSA-N 2 2 280.372 -0.937 20 0 CBADLP [NH3+]C[C@@H](O)CC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC001220934010 825125097 /nfs/dbraw/zinc/12/50/97/825125097.db2.gz GCXPKJNUOPPTJE-MNOVXSKESA-N 2 2 264.329 -0.514 20 0 CBADLP Cc1noc(C2(NC(=O)[C@]34C[NH2+]C[C@@H]3CC[NH2+]4)CC2)n1 ZINC001220933029 825125528 /nfs/dbraw/zinc/12/55/28/825125528.db2.gz UEZYUBYPOJRUSF-ZANVPECISA-N 2 2 277.328 -0.565 20 0 CBADLP O=C(NC1(c2ncccn2)CC1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220932991 825125628 /nfs/dbraw/zinc/12/56/28/825125628.db2.gz TVWALNKVHXBJIB-GARJFASQSA-N 2 2 273.340 -0.468 20 0 CBADLP O=C(NC1(c2ncccn2)CC1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220933176 825126043 /nfs/dbraw/zinc/12/60/43/825126043.db2.gz ZUWFVBZRBOZFTL-QMTHXVAHSA-N 2 2 273.340 -0.467 20 0 CBADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)NCCO[C@@H]2CC[NH2+]C2)cc1 ZINC001220939828 825126712 /nfs/dbraw/zinc/12/67/12/825126712.db2.gz XNRRWBYINGBTNM-ZIAGYGMSSA-N 3 2 292.383 -0.247 20 0 CBADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)NCCO[C@H]2CC[NH2+]C2)cc1 ZINC001220939825 825127106 /nfs/dbraw/zinc/12/71/06/825127106.db2.gz XNRRWBYINGBTNM-KBPBESRZSA-N 3 2 292.383 -0.247 20 0 CBADLP O=C(N[C@@H]1CCCc2nccnc21)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220949202 825127678 /nfs/dbraw/zinc/12/76/78/825127678.db2.gz UPZKAVYKHVNBOY-IXPVHAAZSA-N 2 2 287.367 -0.078 20 0 CBADLP CC1(C)C[C@H](CNC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)CCO1 ZINC001220952787 825128722 /nfs/dbraw/zinc/12/87/22/825128722.db2.gz CZMUYOIUEOUXDN-MXWKQRLJSA-N 2 2 255.362 -0.003 20 0 CBADLP CCc1nnc2ccc(CNC(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)cn21 ZINC001220992516 825132411 /nfs/dbraw/zinc/13/24/11/825132411.db2.gz OYXUGYBJIYXOCN-MNOVXSKESA-N 2 2 288.355 -0.403 20 0 CBADLP COC[C@@H](NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2)C1CC1 ZINC001221012747 825137042 /nfs/dbraw/zinc/13/70/42/825137042.db2.gz AROCFTMFWBGUNT-UZWSLXQKSA-N 2 2 253.346 -0.251 20 0 CBADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCc1nncs1 ZINC001221013376 825137560 /nfs/dbraw/zinc/13/75/60/825137560.db2.gz POWRWTUBBLOATA-QMMMGPOBSA-N 2 2 266.330 -0.510 20 0 CBADLP O=C(NCc1c[nH+]cn1C1CCC1)[C@@H]1C[NH2+]C[C@H]1O ZINC001221023456 825138903 /nfs/dbraw/zinc/13/89/03/825138903.db2.gz LZTNFFJOUNYMKR-VXGBXAGGSA-N 2 2 264.329 -0.195 20 0 CBADLP O=C(NCc1cn(CC2CC2)cn1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001221023219 825139246 /nfs/dbraw/zinc/13/92/46/825139246.db2.gz DYNPQVILSSVVMA-DOMZBBRYSA-N 2 2 289.383 -0.139 20 0 CBADLP [NH3+]C1(C(=O)NC2(c3cnccn3)CC2)CC[NH2+]CC1 ZINC001221082518 825141367 /nfs/dbraw/zinc/14/13/67/825141367.db2.gz WWEBNBKCKPVJKJ-UHFFFAOYSA-N 2 2 261.329 -0.337 20 0 CBADLP O=C(NC1(c2cnccn2)CC1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001221082478 825141636 /nfs/dbraw/zinc/14/16/36/825141636.db2.gz VLINRMNNFNLPIG-YGRLFVJLSA-N 2 2 273.340 -0.467 20 0 CBADLP COC(=O)c1ccc(CNC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)[nH]1 ZINC001221079491 825142064 /nfs/dbraw/zinc/14/20/64/825142064.db2.gz CAISTFKXYOQDKF-KPXOXKRLSA-N 2 2 292.339 -0.633 20 0 CBADLP COCCC1([NH3+])CCN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)CC1 ZINC001221133951 825146646 /nfs/dbraw/zinc/14/66/46/825146646.db2.gz DDUXEZMRNYBOCA-RWMBFGLXSA-N 3 2 296.415 -0.707 20 0 CBADLP COCCCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001221166514 825148000 /nfs/dbraw/zinc/14/80/00/825148000.db2.gz UCURWGUISSUJMK-OLZOCXBDSA-N 2 2 296.371 -0.529 20 0 CBADLP COCCCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001221166514 825148008 /nfs/dbraw/zinc/14/80/08/825148008.db2.gz UCURWGUISSUJMK-OLZOCXBDSA-N 2 2 296.371 -0.529 20 0 CBADLP CCOCCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001221166037 825148216 /nfs/dbraw/zinc/14/82/16/825148216.db2.gz GXHVUBZYMYYTEG-OLZOCXBDSA-N 2 2 296.371 -0.529 20 0 CBADLP CCOCCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001221166037 825148217 /nfs/dbraw/zinc/14/82/17/825148217.db2.gz GXHVUBZYMYYTEG-OLZOCXBDSA-N 2 2 296.371 -0.529 20 0 CBADLP C[C@H](O)C[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@@H](O)C1 ZINC001221161334 825148507 /nfs/dbraw/zinc/14/85/07/825148507.db2.gz HDKHNQIBSZTWCS-XQQFMLRXSA-N 2 2 296.371 -0.795 20 0 CBADLP C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@@H](O)C1 ZINC001221161334 825148515 /nfs/dbraw/zinc/14/85/15/825148515.db2.gz HDKHNQIBSZTWCS-XQQFMLRXSA-N 2 2 296.371 -0.795 20 0 CBADLP COCC1(CNC(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)CCOCC1 ZINC001221176765 825150349 /nfs/dbraw/zinc/15/03/49/825150349.db2.gz MAOXBQVALAYYAK-IUODEOHRSA-N 2 2 297.399 -0.503 20 0 CBADLP O=C(NCCc1ccc(CO)cc1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001221190676 825151296 /nfs/dbraw/zinc/15/12/96/825151296.db2.gz YDIPGLMRGRGRKT-GDBMZVCRSA-N 2 2 289.379 -0.211 20 0 CBADLP O=C(NCCc1ccc(CO)cc1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001221190679 825151395 /nfs/dbraw/zinc/15/13/95/825151395.db2.gz YDIPGLMRGRGRKT-ZBFHGGJFSA-N 2 2 289.379 -0.211 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NCCc1ccc(CO)cc1 ZINC001221192568 825152686 /nfs/dbraw/zinc/15/26/86/825152686.db2.gz XWOWSHIEFAYSNH-STQMWFEESA-N 2 2 263.341 -0.616 20 0 CBADLP Cc1cccc([C@@H](CO)NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])c1 ZINC001221193789 825153055 /nfs/dbraw/zinc/15/30/55/825153055.db2.gz FWMRXHQYKCSWDF-RWMBFGLXSA-N 2 2 263.341 -0.309 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NCc1nc2cc[nH]cc-2n1 ZINC001221194054 825153267 /nfs/dbraw/zinc/15/32/67/825153267.db2.gz KGEDAPZPOQIUTI-JTQLQIEISA-N 2 2 299.338 -0.122 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCCc2ccc(CO)cc2)C1 ZINC001221192397 825153418 /nfs/dbraw/zinc/15/34/18/825153418.db2.gz QINGVHWWXNXFQW-OLZOCXBDSA-N 2 2 263.341 -0.473 20 0 CBADLP COC(=O)[C@](C)(NC(=O)C1([NH3+])CC[NH2+]CC1)C(F)(F)F ZINC001221219517 825157017 /nfs/dbraw/zinc/15/70/17/825157017.db2.gz ZCNWUOAYNOKDDT-VIFPVBQESA-N 2 2 297.277 -0.323 20 0 CBADLP C[N@@H+]1CCC[C@](C)(NC(=O)[C@H]([NH3+])Cc2c[nH]cn2)C1 ZINC001221241091 825158814 /nfs/dbraw/zinc/15/88/14/825158814.db2.gz NJWJLPNQMVSITE-YPMHNXCESA-N 2 2 265.361 -0.120 20 0 CBADLP C[N@H+]1CCC[C@](C)(NC(=O)[C@H]([NH3+])Cc2c[nH]cn2)C1 ZINC001221241091 825158819 /nfs/dbraw/zinc/15/88/19/825158819.db2.gz NJWJLPNQMVSITE-YPMHNXCESA-N 2 2 265.361 -0.120 20 0 CBADLP C[N@@H+]1CCC[C@@](C)(NC(=O)C[NH2+]C2CC[NH2+]CC2)C1 ZINC001221241491 825158902 /nfs/dbraw/zinc/15/89/02/825158902.db2.gz WIASMIFXOJSNQY-CQSZACIVSA-N 3 2 268.405 -0.072 20 0 CBADLP C[N@H+]1CCC[C@@](C)(NC(=O)C[NH2+]C2CC[NH2+]CC2)C1 ZINC001221241491 825158905 /nfs/dbraw/zinc/15/89/05/825158905.db2.gz WIASMIFXOJSNQY-CQSZACIVSA-N 3 2 268.405 -0.072 20 0 CBADLP O=C(NCc1cc2ccccn2n1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001221235066 825159039 /nfs/dbraw/zinc/15/90/39/825159039.db2.gz PTWVHJKJRMGOFD-XHDPSFHLSA-N 2 2 285.351 -0.098 20 0 CBADLP C[N@@H+]1CCC[C@](C)(NC(=O)[C@@H]([NH3+])Cc2c[nH]cn2)C1 ZINC001221241088 825159130 /nfs/dbraw/zinc/15/91/30/825159130.db2.gz NJWJLPNQMVSITE-AAEUAGOBSA-N 2 2 265.361 -0.120 20 0 CBADLP C[N@H+]1CCC[C@](C)(NC(=O)[C@@H]([NH3+])Cc2c[nH]cn2)C1 ZINC001221241088 825159138 /nfs/dbraw/zinc/15/91/38/825159138.db2.gz NJWJLPNQMVSITE-AAEUAGOBSA-N 2 2 265.361 -0.120 20 0 CBADLP C[NH2+]CCC(=O)N[C@@H](CCc1cn(C)c[nH+]1)C(=O)OC ZINC001221256576 825162381 /nfs/dbraw/zinc/16/23/81/825162381.db2.gz CTHMLHMOXRRBKH-NSHDSACASA-N 2 2 282.344 -0.380 20 0 CBADLP COC(=O)[C@H](CCc1cn(C)c[nH+]1)NC(=O)[C@H]1CC[C@@H]1[NH3+] ZINC001221257080 825163265 /nfs/dbraw/zinc/16/32/65/825163265.db2.gz XBHSJGQSZNPUFZ-SRVKXCTJSA-N 2 2 294.355 -0.252 20 0 CBADLP CC(=O)OCN1CCC(NC(=O)C2([NH3+])CC[NH2+]CC2)CC1 ZINC001221258918 825163946 /nfs/dbraw/zinc/16/39/46/825163946.db2.gz RTEGYXYCOZVYLH-UHFFFAOYSA-N 2 2 298.387 -0.832 20 0 CBADLP CCOC(=O)/C=C(/NC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2)OCC ZINC001221262482 825164191 /nfs/dbraw/zinc/16/41/91/825164191.db2.gz FXEMXFNUOQBKHG-PRDIGCIASA-N 2 2 297.355 -0.505 20 0 CBADLP Cn1ncc2c1cccc2CNC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001221305917 825168349 /nfs/dbraw/zinc/16/83/49/825168349.db2.gz ILIYUPAMJKAMOS-PWSUYJOCSA-N 2 2 273.340 -0.121 20 0 CBADLP COC(=O)[C@@H]([NH3+])CC(=O)N1Cc2ccccc2C[C@H]1C[NH3+] ZINC001221332514 825172257 /nfs/dbraw/zinc/17/22/57/825172257.db2.gz KOJTYHPAKQULQJ-STQMWFEESA-N 2 2 291.351 -0.211 20 0 CBADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)NC[C@H](O)CF)cc1 ZINC001221337743 825173911 /nfs/dbraw/zinc/17/39/11/825173911.db2.gz MCYJBDUDMJMVKR-MNOVXSKESA-N 2 2 255.293 -0.295 20 0 CBADLP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@@H]1COCC[NH2+]1 ZINC001221391102 825179898 /nfs/dbraw/zinc/17/98/98/825179898.db2.gz WSZOYXPRLPMXAP-JTQLQIEISA-N 3 2 271.365 -0.961 20 0 CBADLP O=C(NCCOc1cc[nH+]cc1)[C@H]1[NH2+]CC[C@@H]1O ZINC001221393384 825181496 /nfs/dbraw/zinc/18/14/96/825181496.db2.gz CIHOQHFWDNFVBD-QWRGUYRKSA-N 2 2 251.286 -0.701 20 0 CBADLP O=C(NCCOc1cc[nH+]cc1)[C@@H]1C[NH2+]C[C@H]1O ZINC001221393835 825181938 /nfs/dbraw/zinc/18/19/38/825181938.db2.gz OMNDVJWGZGYYQT-GHMZBOCLSA-N 2 2 251.286 -0.843 20 0 CBADLP C[C@@]1(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)CCCOC1 ZINC001221402593 825182651 /nfs/dbraw/zinc/18/26/51/825182651.db2.gz JCDOVUMXAXNRPS-CMPLNLGQSA-N 2 2 252.318 -0.035 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N[C@@]1(C)CCCOC1 ZINC001221402983 825182923 /nfs/dbraw/zinc/18/29/23/825182923.db2.gz OMRBRZMSAFIEHV-AAEUAGOBSA-N 2 2 266.345 -0.025 20 0 CBADLP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)[C@H](C)C1 ZINC001221405897 825184398 /nfs/dbraw/zinc/18/43/98/825184398.db2.gz CKYDREAEFBBDMV-NDBYEHHHSA-N 3 2 268.405 -0.089 20 0 CBADLP CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)[C@H](C)C1 ZINC001221405897 825184399 /nfs/dbraw/zinc/18/43/99/825184399.db2.gz CKYDREAEFBBDMV-NDBYEHHHSA-N 3 2 268.405 -0.089 20 0 CBADLP C[NH+](C)CC1CCC(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])CC1 ZINC001221403811 825184558 /nfs/dbraw/zinc/18/45/58/825184558.db2.gz YOJLBBAWJGRQLS-TYUFSLCMSA-N 3 2 268.405 -0.230 20 0 CBADLP O=C(N[C@H](C1CCC1)C1C[NH2+]C1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001221410201 825185104 /nfs/dbraw/zinc/18/51/04/825185104.db2.gz QFZDSWXFGNVBTK-GZBFAFLISA-N 3 2 278.400 -0.558 20 0 CBADLP [NH3+]C1(C(=O)N[C@@H](C2CCC2)C2C[NH2+]C2)CC[NH2+]CC1 ZINC001221408032 825185451 /nfs/dbraw/zinc/18/54/51/825185451.db2.gz GDIMGAQJCVCUOB-LBPRGKRZSA-N 3 2 266.389 -0.428 20 0 CBADLP CCC[N@H+](C)CC(=O)N1C[C@H]2CC[NH+]([C@H](C)C(N)=O)C[C@H]21 ZINC001221973002 825196717 /nfs/dbraw/zinc/19/67/17/825196717.db2.gz UKLYRYILIDFHJA-JHJVBQTASA-N 2 2 296.415 -0.265 20 0 CBADLP CCC[N@@H+](C)CC(=O)N1C[C@H]2CC[NH+]([C@H](C)C(N)=O)C[C@H]21 ZINC001221973002 825196720 /nfs/dbraw/zinc/19/67/20/825196720.db2.gz UKLYRYILIDFHJA-JHJVBQTASA-N 2 2 296.415 -0.265 20 0 CBADLP CCC[NH+](C)CC(=O)N1C[C@H]2CC[N@@H+]([C@H](C)C(N)=O)C[C@H]21 ZINC001221973002 825196725 /nfs/dbraw/zinc/19/67/25/825196725.db2.gz UKLYRYILIDFHJA-JHJVBQTASA-N 2 2 296.415 -0.265 20 0 CBADLP CCC[NH+](C)CC(=O)N1C[C@H]2CC[N@H+]([C@H](C)C(N)=O)C[C@H]21 ZINC001221973002 825196731 /nfs/dbraw/zinc/19/67/31/825196731.db2.gz UKLYRYILIDFHJA-JHJVBQTASA-N 2 2 296.415 -0.265 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N1C[C@H]2CC[NH+]([C@H](C)C(N)=O)C[C@H]21 ZINC001222053181 825199852 /nfs/dbraw/zinc/19/98/52/825199852.db2.gz IXHCNDRKEMOIMH-JHJVBQTASA-N 2 2 296.415 -0.267 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N1C[C@H]2CC[NH+]([C@H](C)C(N)=O)C[C@H]21 ZINC001222053181 825199853 /nfs/dbraw/zinc/19/98/53/825199853.db2.gz IXHCNDRKEMOIMH-JHJVBQTASA-N 2 2 296.415 -0.267 20 0 CBADLP CC(C)[NH+](C)CC(=O)N1C[C@H]2CC[N@@H+]([C@H](C)C(N)=O)C[C@H]21 ZINC001222053181 825199857 /nfs/dbraw/zinc/19/98/57/825199857.db2.gz IXHCNDRKEMOIMH-JHJVBQTASA-N 2 2 296.415 -0.267 20 0 CBADLP CC(C)[NH+](C)CC(=O)N1C[C@H]2CC[N@H+]([C@H](C)C(N)=O)C[C@H]21 ZINC001222053181 825199859 /nfs/dbraw/zinc/19/98/59/825199859.db2.gz IXHCNDRKEMOIMH-JHJVBQTASA-N 2 2 296.415 -0.267 20 0 CBADLP Cc1nonc1C[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222109527 825200311 /nfs/dbraw/zinc/20/03/11/825200311.db2.gz JMWFJXVNHVBGIW-UHFFFAOYSA-N 2 2 251.334 -0.095 20 0 CBADLP Cc1nonc1C[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222109527 825200317 /nfs/dbraw/zinc/20/03/17/825200317.db2.gz JMWFJXVNHVBGIW-UHFFFAOYSA-N 2 2 251.334 -0.095 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CCC[C@H]([NH2+]CCCO)C1 ZINC001222098630 825201226 /nfs/dbraw/zinc/20/12/26/825201226.db2.gz OBBWMUSOAJDDEM-LBPRGKRZSA-N 2 2 266.345 -0.154 20 0 CBADLP OCCCCC[N@@H+]1CCOC[C@@]2(C[NH2+]CCO2)C1 ZINC001222186570 825202717 /nfs/dbraw/zinc/20/27/17/825202717.db2.gz MBJAKUVHUQBIFB-CYBMUJFWSA-N 2 2 258.362 -0.160 20 0 CBADLP OCCCCC[N@H+]1CCOC[C@@]2(C[NH2+]CCO2)C1 ZINC001222186570 825202725 /nfs/dbraw/zinc/20/27/25/825202725.db2.gz MBJAKUVHUQBIFB-CYBMUJFWSA-N 2 2 258.362 -0.160 20 0 CBADLP O=c1[nH]cc(C[N@@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)c(=O)[nH]1 ZINC001222507339 825213921 /nfs/dbraw/zinc/21/39/21/825213921.db2.gz SQLKGFJGXJERFQ-QWRGUYRKSA-N 2 2 279.344 -0.586 20 0 CBADLP O=c1[nH]cc(C[N@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)c(=O)[nH]1 ZINC001222507339 825213927 /nfs/dbraw/zinc/21/39/27/825213927.db2.gz SQLKGFJGXJERFQ-QWRGUYRKSA-N 2 2 279.344 -0.586 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CCC(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001224673100 825246084 /nfs/dbraw/zinc/24/60/84/825246084.db2.gz RPVUFURDCZFOCR-SNVBAGLBSA-N 2 2 293.371 -0.346 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC1CC[NH+](CCOCCO)CC1 ZINC001229723063 825336136 /nfs/dbraw/zinc/33/61/36/825336136.db2.gz IRDITPGTJABOEM-UHFFFAOYSA-N 2 2 296.371 -0.458 20 0 CBADLP CCNC(=O)C[NH+]1CCC(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001230438595 825347954 /nfs/dbraw/zinc/34/79/54/825347954.db2.gz ZMONAHMXHKSIJM-UHFFFAOYSA-N 2 2 293.371 -0.400 20 0 CBADLP COC[C@@H](O)C[NH+]1CCC(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001230438367 825348365 /nfs/dbraw/zinc/34/83/65/825348365.db2.gz LOSKOOITBKWYCJ-ZDUSSCGKSA-N 2 2 296.371 -0.529 20 0 CBADLP CC1(C)O[C@@H]2O[C@@H](C[N@@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)[C@@H](O)[C@@H]2O1 ZINC001235257249 825490566 /nfs/dbraw/zinc/49/05/66/825490566.db2.gz XLZLIHHBSTZGJF-GAURVVSWSA-N 2 2 298.383 -0.093 20 0 CBADLP CC1(C)O[C@@H]2O[C@@H](C[N@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)[C@@H](O)[C@@H]2O1 ZINC001235257249 825490574 /nfs/dbraw/zinc/49/05/74/825490574.db2.gz XLZLIHHBSTZGJF-GAURVVSWSA-N 2 2 298.383 -0.093 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@H]1CN(C)C(=O)C[NH+](C)C1CCC1 ZINC001235395928 825493678 /nfs/dbraw/zinc/49/36/78/825493678.db2.gz YYGUWEUVYLWJPX-AAEUAGOBSA-N 2 2 296.415 -0.123 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CC[C@H]1CN(C)C(=O)C[NH+](C)C1CCC1 ZINC001235395928 825493681 /nfs/dbraw/zinc/49/36/81/825493681.db2.gz YYGUWEUVYLWJPX-AAEUAGOBSA-N 2 2 296.415 -0.123 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CC[C@H]1CN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001235395928 825493688 /nfs/dbraw/zinc/49/36/88/825493688.db2.gz YYGUWEUVYLWJPX-AAEUAGOBSA-N 2 2 296.415 -0.123 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CC[C@H]1CN(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001235395928 825493691 /nfs/dbraw/zinc/49/36/91/825493691.db2.gz YYGUWEUVYLWJPX-AAEUAGOBSA-N 2 2 296.415 -0.123 20 0 CBADLP C[N@@H+]1CCO[C@H]2CN(C[C@@H]3C[NH2+]C(C)(C)O3)C[C@H]21 ZINC001235485266 825497478 /nfs/dbraw/zinc/49/74/78/825497478.db2.gz VIGUTKGMNJSGAT-TUAOUCFPSA-N 2 2 255.362 -0.274 20 0 CBADLP C[N@H+]1CCO[C@H]2CN(C[C@@H]3C[NH2+]C(C)(C)O3)C[C@H]21 ZINC001235485266 825497489 /nfs/dbraw/zinc/49/74/89/825497489.db2.gz VIGUTKGMNJSGAT-TUAOUCFPSA-N 2 2 255.362 -0.274 20 0 CBADLP CNC(=O)CO[C@@H]1COC2(C1)CC[NH+](C[C@H](C)[NH3+])CC2 ZINC001235485887 825498595 /nfs/dbraw/zinc/49/85/95/825498595.db2.gz ZVRNQUKVEKOJJR-RYUDHWBXSA-N 2 2 285.388 -0.280 20 0 CBADLP C[C@H]([NH3+])C[N@@H+]1C[C@H]2OCC[C@H]2[C@@H](C(=O)N2CCOCC2)C1 ZINC001235527796 825500552 /nfs/dbraw/zinc/50/05/52/825500552.db2.gz WWJSRTZNKCNCEW-XDQVBPFNSA-N 2 2 297.399 -0.471 20 0 CBADLP C[C@H]([NH3+])C[N@H+]1C[C@H]2OCC[C@H]2[C@@H](C(=O)N2CCOCC2)C1 ZINC001235527796 825500559 /nfs/dbraw/zinc/50/05/59/825500559.db2.gz WWJSRTZNKCNCEW-XDQVBPFNSA-N 2 2 297.399 -0.471 20 0 CBADLP C[NH2+]C1CC[NH+](C[C@@H]2O[C@H]3OC(C)(C)O[C@H]3[C@@H]2O)CC1 ZINC001235788062 825515000 /nfs/dbraw/zinc/51/50/00/825515000.db2.gz BNOYOVZMURGLEA-RNJOBUHISA-N 2 2 286.372 -0.093 20 0 CBADLP C[C@H]([NH3+])CN(CC[NH+]1CCOCC1)CC1CC[NH2+]CC1 ZINC001236399205 825532738 /nfs/dbraw/zinc/53/27/38/825532738.db2.gz NIQVEZPCAGMJEE-AWEZNQCLSA-N 3 2 284.448 -0.033 20 0 CBADLP [NH3+]CCS(=O)(=O)NCc1c[nH+]cn1C1CCOCC1 ZINC001238876916 825567560 /nfs/dbraw/zinc/56/75/60/825567560.db2.gz OXSBXKDKNPXOOB-UHFFFAOYSA-N 2 2 288.373 -0.387 20 0 CBADLP [NH3+]CCS(=O)(=O)N1CCC[N@H+](Cc2ccncc2)CC1 ZINC001238920317 825572378 /nfs/dbraw/zinc/57/23/78/825572378.db2.gz ABYWHPUDRURAKG-UHFFFAOYSA-N 2 2 298.412 -0.122 20 0 CBADLP [NH3+]CCS(=O)(=O)N1CCC[N@@H+](Cc2ccncc2)CC1 ZINC001238920317 825572383 /nfs/dbraw/zinc/57/23/83/825572383.db2.gz ABYWHPUDRURAKG-UHFFFAOYSA-N 2 2 298.412 -0.122 20 0 CBADLP CC(C)COC(=O)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001239334677 825599792 /nfs/dbraw/zinc/59/97/92/825599792.db2.gz KKAJERLSCYCUPF-UHFFFAOYSA-N 2 2 272.393 -0.137 20 0 CBADLP CCCNC(=S)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001239438415 825603968 /nfs/dbraw/zinc/60/39/68/825603968.db2.gz FGRWMLVRJVONNA-UHFFFAOYSA-N 2 2 273.450 -0.645 20 0 CBADLP COC(=O)[C@H](CCCC[NH3+])[NH2+]CC1(O)CCOCC1 ZINC001245975857 825616752 /nfs/dbraw/zinc/61/67/52/825616752.db2.gz BEHDDHVPJNNTHS-NSHDSACASA-N 2 2 274.361 -0.212 20 0 CBADLP CCCOC[C@H](O)C[NH2+][C@H](C(=O)OC)C1CC[NH2+]CC1 ZINC001245999544 825619639 /nfs/dbraw/zinc/61/96/39/825619639.db2.gz AKFKJQVSNFFVJA-OLZOCXBDSA-N 2 2 288.388 -0.095 20 0 CBADLP O[C@H](C[N@@H+]1CCC[NH2+]CC1)CC1(O)CC[NH2+]CC1 ZINC001246015267 825620725 /nfs/dbraw/zinc/62/07/25/825620725.db2.gz VAROPFPTSJMTDR-LBPRGKRZSA-N 3 2 257.378 -0.853 20 0 CBADLP O[C@H](C[N@H+]1CCC[NH2+]CC1)CC1(O)CC[NH2+]CC1 ZINC001246015267 825620728 /nfs/dbraw/zinc/62/07/28/825620728.db2.gz VAROPFPTSJMTDR-LBPRGKRZSA-N 3 2 257.378 -0.853 20 0 CBADLP C[C@@]1([NH3+])CC[N@H+](C[C@H](O)CC2(O)CC[NH2+]CC2)C1 ZINC001246014542 825621105 /nfs/dbraw/zinc/62/11/05/825621105.db2.gz OSRWTYKZCNLDFT-VXGBXAGGSA-N 3 2 257.378 -0.725 20 0 CBADLP C[C@@]1([NH3+])CC[N@@H+](C[C@H](O)CC2(O)CC[NH2+]CC2)C1 ZINC001246014542 825621110 /nfs/dbraw/zinc/62/11/10/825621110.db2.gz OSRWTYKZCNLDFT-VXGBXAGGSA-N 3 2 257.378 -0.725 20 0 CBADLP [NH3+][C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(F)cc2)C[C@H]1O ZINC001246021607 825624091 /nfs/dbraw/zinc/62/40/91/825624091.db2.gz KWZFJEVOBDDBFI-MRVWCRGKSA-N 2 2 284.331 -0.041 20 0 CBADLP [NH3+][C@@H]1CC[N@@H+](C[C@@H](O)COc2ccc(F)cc2)C[C@H]1O ZINC001246021607 825624101 /nfs/dbraw/zinc/62/41/01/825624101.db2.gz KWZFJEVOBDDBFI-MRVWCRGKSA-N 2 2 284.331 -0.041 20 0 CBADLP CC[NH+](CC)C[C@H](O)CN1CC[NH2+]C2(CC[NH2+]CC2)C1 ZINC001246027498 825626061 /nfs/dbraw/zinc/62/60/61/825626061.db2.gz HKUKYYCMLPGOFR-AWEZNQCLSA-N 3 2 284.448 -0.284 20 0 CBADLP CC(C)(C)OC[C@@H](O)C[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246027109 825626652 /nfs/dbraw/zinc/62/66/52/825626652.db2.gz PAZGVZCHACCZKX-GXTWGEPZSA-N 2 2 271.405 -0.200 20 0 CBADLP CC(C)(C)OC[C@@H](O)C[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246027109 825626654 /nfs/dbraw/zinc/62/66/54/825626654.db2.gz PAZGVZCHACCZKX-GXTWGEPZSA-N 2 2 271.405 -0.200 20 0 CBADLP C[C@@H]1C[N@H+](C[C@H](O)CC2(O)CC[NH2+]CC2)C[C@H]1[NH3+] ZINC001246030717 825627179 /nfs/dbraw/zinc/62/71/79/825627179.db2.gz OEBRZAHGVFZVDG-IJLUTSLNSA-N 3 2 257.378 -0.869 20 0 CBADLP C[C@@H]1C[N@@H+](C[C@H](O)CC2(O)CC[NH2+]CC2)C[C@H]1[NH3+] ZINC001246030717 825627185 /nfs/dbraw/zinc/62/71/85/825627185.db2.gz OEBRZAHGVFZVDG-IJLUTSLNSA-N 3 2 257.378 -0.869 20 0 CBADLP [NH3+][C@]12CC[C@@H]1CN(C[C@@H](O)C[NH+]1CCOCC1)C2 ZINC001246046858 825629038 /nfs/dbraw/zinc/62/90/38/825629038.db2.gz POVHDQZOXRZGNY-AGIUHOORSA-N 2 2 255.362 -0.897 20 0 CBADLP CC[C@]1(C(=O)OC)C[C@H](N[C@H]2CC[NH2+]C[C@@H]2F)C[NH2+]1 ZINC001246099591 825636203 /nfs/dbraw/zinc/63/62/03/825636203.db2.gz ROFLXSMPTHRFQX-MRBYEJRBSA-N 2 2 273.352 -0.040 20 0 CBADLP CCOC(=O)C[C@]1(N[C@@H]2C[NH2+][C@H](C(=O)OC)C2)CC[NH2+]C1 ZINC001246122357 825637780 /nfs/dbraw/zinc/63/77/80/825637780.db2.gz ADSWANDSXPPVFS-COPLHBTASA-N 2 2 299.371 -0.835 20 0 CBADLP COC(=O)[C@H]1C[C@H](NC[C@@H]2CC[C@@H](C)C[NH2+]2)C[NH2+]1 ZINC001246115988 825637866 /nfs/dbraw/zinc/63/78/66/825637866.db2.gz UFYMNQHYDZBFLZ-NOOOWODRSA-N 2 2 255.362 -0.132 20 0 CBADLP C1[NH2+]CC12C[C@H]([NH2+][C@H]1CC[C@@H]3[NH2+]CCO[C@@H]13)CCN2 ZINC001246153087 825642085 /nfs/dbraw/zinc/64/20/85/825642085.db2.gz VYXXZINIIDUFSG-MROQNXINSA-N 3 2 266.389 -0.811 20 0 CBADLP C([NH2+][C@@H]1CCOC2(C[NH2+]C2)C1)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001246150569 825642430 /nfs/dbraw/zinc/64/24/30/825642430.db2.gz WLPTWXGIVWKKNV-KGLIPLIRSA-N 4 2 294.443 -0.029 20 0 CBADLP CC[NH+]1CCC([NH2+][C@H]2CN[C@H](C(=O)OC)C2)CC1 ZINC001246174606 825644111 /nfs/dbraw/zinc/64/41/11/825644111.db2.gz YMLKFZXKDZGIGG-NEPJUHHUSA-N 2 2 255.362 -0.036 20 0 CBADLP C[C@H]1CC[C@H]([NH2+]CCOCCOCCOCCO)C[NH2+]1 ZINC001246203372 825649231 /nfs/dbraw/zinc/64/92/31/825649231.db2.gz VDWNKPFAJBZCKV-KBPBESRZSA-N 2 2 290.404 -0.241 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CC[C@@H]1N[C@@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001246199481 825649392 /nfs/dbraw/zinc/64/93/92/825649392.db2.gz KJWWIBZQFCIGNA-USZNOCQGSA-N 2 2 299.371 -0.979 20 0 CBADLP COC(=O)[C@@H]1C[C@H](n2ccc(C[NH3+])cc2=N)C[NH2+]1 ZINC001246199939 825649992 /nfs/dbraw/zinc/64/99/92/825649992.db2.gz MHZVNKIXJXEFSA-UWVGGRQHSA-N 2 2 250.302 -0.498 20 0 CBADLP CCOC(=O)[C@H](CCC[NH3+])[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246212656 825652286 /nfs/dbraw/zinc/65/22/86/825652286.db2.gz WTWZPSLEXVVKCX-RYUDHWBXSA-N 3 2 284.404 -0.659 20 0 CBADLP COC(=O)[C@@H](CCCC[NH3+])N[C@@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001246237593 825655523 /nfs/dbraw/zinc/65/55/23/825655523.db2.gz IKDMLDGJLMUHKQ-AXFHLTTASA-N 2 2 287.360 -0.850 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](NC2(C(F)(F)F)C[NH2+]C2)C[NH2+]1 ZINC001246251868 825656815 /nfs/dbraw/zinc/65/68/15/825656815.db2.gz FNDKEQKBLYDCLN-RQJHMYQMSA-N 2 2 267.251 -0.616 20 0 CBADLP COC(=O)[C@@H]1C[C@@H]([NH2+]Cc2ncn3c2C[NH2+]CCC3)CN1 ZINC001246250925 825657161 /nfs/dbraw/zinc/65/71/61/825657161.db2.gz XZTGTLISESIUKW-MNOVXSKESA-N 2 2 293.371 -0.631 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](NCc2ncn3c2C[NH2+]CCC3)C[NH2+]1 ZINC001246250925 825657163 /nfs/dbraw/zinc/65/71/63/825657163.db2.gz XZTGTLISESIUKW-MNOVXSKESA-N 2 2 293.371 -0.631 20 0 CBADLP O=S1(=O)CCN(CC[NH2+][C@@H]2CCC[NH2+]C2)CC1 ZINC001246338053 825667158 /nfs/dbraw/zinc/66/71/58/825667158.db2.gz ZVMYFDKIXKKDQL-LLVKDONJSA-N 2 2 261.391 -0.942 20 0 CBADLP C[C@H]([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)[C@@H]1C[NH2+]CCO1 ZINC001246295571 825660254 /nfs/dbraw/zinc/66/02/54/825660254.db2.gz PCXSNJCKPFSNLD-SRVKXCTJSA-N 3 2 254.378 -0.953 20 0 CBADLP OC[C@H]1C[NH2+]C[C@H]1[NH2+]C1CCN(c2ncccn2)CC1 ZINC001246301237 825661858 /nfs/dbraw/zinc/66/18/58/825661858.db2.gz WYFZNKYYEKEXMA-DGCLKSJQSA-N 2 2 277.372 -0.385 20 0 CBADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2C[NH2+]C[C@@H]2CO)C1 ZINC001246297115 825662558 /nfs/dbraw/zinc/66/25/58/825662558.db2.gz DOVRKTRZSVGIOZ-WISYIIOYSA-N 2 2 256.346 -0.112 20 0 CBADLP CC(C)(C)OC(=O)[C@@H]1C[C@H](N[C@H]2C[NH2+]C[C@H]2CO)C[NH2+]1 ZINC001246305992 825662987 /nfs/dbraw/zinc/66/29/87/825662987.db2.gz KGXBWZQKXRDYMF-BJDJZHNGSA-N 2 2 285.388 -0.772 20 0 CBADLP COC(=O)C1([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CCOCC1 ZINC001246308591 825663165 /nfs/dbraw/zinc/66/31/65/825663165.db2.gz HBEOOOFBFRESGH-NSHDSACASA-N 2 2 283.372 -0.608 20 0 CBADLP COC(=O)[C@H](N[C@@H]1C[NH2+][C@H](C(=O)OC)C1)C1CC[NH2+]CC1 ZINC001246325545 825664806 /nfs/dbraw/zinc/66/48/06/825664806.db2.gz BVHGTADJEDOQBF-SDDRHHMPSA-N 2 2 299.371 -0.979 20 0 CBADLP COC(=O)[C@@H]1C[C@@H]([NH2+][C@@H]2CCO[C@]23CC[NH2+]C3)CN1 ZINC001246334405 825665315 /nfs/dbraw/zinc/66/53/15/825665315.db2.gz RDSOBRFRDCBSAO-XZUYRWCXSA-N 2 2 269.345 -1.000 20 0 CBADLP COC(=O)[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@]23CC[NH2+]C3)CN1 ZINC001246334404 825665791 /nfs/dbraw/zinc/66/57/91/825665791.db2.gz RDSOBRFRDCBSAO-KQXIARHKSA-N 2 2 269.345 -1.000 20 0 CBADLP C[C@@H]1CC[C@@H]([NH2+]CCN2CCS(=O)(=O)CC2)C[NH2+]1 ZINC001246337957 825667354 /nfs/dbraw/zinc/66/73/54/825667354.db2.gz YPHLMGJLEKOCRK-VXGBXAGGSA-N 2 2 275.418 -0.553 20 0 CBADLP C[C@@H]1CC[C@@H]([NH2+]CCOCCN2C(=O)C=CC2=O)C[NH2+]1 ZINC001246356663 825669217 /nfs/dbraw/zinc/66/92/17/825669217.db2.gz ONRYMFLGTMJLQS-VXGBXAGGSA-N 2 2 281.356 -0.342 20 0 CBADLP CC(C)(C)OC(=O)C[C@H]([NH2+]C1CC[NH2+]CC1)C(N)=O ZINC001246442484 825673018 /nfs/dbraw/zinc/67/30/18/825673018.db2.gz JGTIOUHXSXSDRG-JTQLQIEISA-N 2 2 271.361 -0.086 20 0 CBADLP COC(=O)[C@@H]1C[C@H]([NH2+][C@@H]2C=C[C@@H]3C[NH2+]C[C@H]23)CN1 ZINC001246473459 825676616 /nfs/dbraw/zinc/67/66/16/825676616.db2.gz IWTZBAQUZFZLDM-IIRVCBMXSA-N 2 2 251.330 -0.747 20 0 CBADLP COC(=O)[C@@H]1C[C@H](N[C@@H]2C=C[C@@H]3C[NH2+]C[C@H]23)C[NH2+]1 ZINC001246473459 825676624 /nfs/dbraw/zinc/67/66/24/825676624.db2.gz IWTZBAQUZFZLDM-IIRVCBMXSA-N 2 2 251.330 -0.747 20 0 CBADLP COC(=O)[C@@H]1CC[C@@H]([NH2+]CCc2[nH+]ccn2C)CN1 ZINC001246517659 825678509 /nfs/dbraw/zinc/67/85/09/825678509.db2.gz APKYKXOMFHBJSM-MNOVXSKESA-N 2 2 266.345 -0.154 20 0 CBADLP COC(=O)[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)CN1 ZINC001246504958 825679008 /nfs/dbraw/zinc/67/90/08/825679008.db2.gz IJRCYPWRHUUKHW-BJDJZHNGSA-N 2 2 255.362 -0.180 20 0 CBADLP COC(=O)[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)CN1 ZINC001246504958 825679012 /nfs/dbraw/zinc/67/90/12/825679012.db2.gz IJRCYPWRHUUKHW-BJDJZHNGSA-N 2 2 255.362 -0.180 20 0 CBADLP CCOC(=O)[C@@H]1C[C@H]([N@@H+]2CCC[NH2+]CC2)CCN1 ZINC001246524494 825679660 /nfs/dbraw/zinc/67/96/60/825679660.db2.gz LQFFCGAEFASQIY-NEPJUHHUSA-N 2 2 255.362 -0.035 20 0 CBADLP CCOC(=O)[C@@H]1C[C@H]([N@H+]2CCC[NH2+]CC2)CCN1 ZINC001246524494 825679664 /nfs/dbraw/zinc/67/96/64/825679664.db2.gz LQFFCGAEFASQIY-NEPJUHHUSA-N 2 2 255.362 -0.035 20 0 CBADLP COC(=O)[C@@H]1C[C@H](N(C)C2CC[NH+](C)CC2)C[NH2+]1 ZINC001246518972 825679944 /nfs/dbraw/zinc/67/99/44/825679944.db2.gz JVNSJNOTZYROMN-RYUDHWBXSA-N 2 2 255.362 -0.084 20 0 CBADLP CC[N@@H+]1CCCN([C@H]2C[NH2+][C@H](C(=O)OC)C2)CC1 ZINC001246526684 825681117 /nfs/dbraw/zinc/68/11/17/825681117.db2.gz QTUIKTGGBODESN-NEPJUHHUSA-N 2 2 255.362 -0.083 20 0 CBADLP CC[N@H+]1CCCN([C@H]2C[NH2+][C@H](C(=O)OC)C2)CC1 ZINC001246526684 825681118 /nfs/dbraw/zinc/68/11/18/825681118.db2.gz QTUIKTGGBODESN-NEPJUHHUSA-N 2 2 255.362 -0.083 20 0 CBADLP COC(=O)[C@@H]1CC[C@H]([N@H+]2CCO[C@H](CC[NH3+])C2)CN1 ZINC001246534125 825681547 /nfs/dbraw/zinc/68/15/47/825681547.db2.gz GRXVLIYHOZQJDZ-TUAOUCFPSA-N 2 2 271.361 -0.670 20 0 CBADLP COC(=O)[C@@H]1CC[C@H]([N@@H+]2CCO[C@H](CC[NH3+])C2)CN1 ZINC001246534125 825681543 /nfs/dbraw/zinc/68/15/43/825681543.db2.gz GRXVLIYHOZQJDZ-TUAOUCFPSA-N 2 2 271.361 -0.670 20 0 CBADLP CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)CN1 ZINC001246567368 825688124 /nfs/dbraw/zinc/68/81/24/825688124.db2.gz KRKUSAZEGHJQML-WISYIIOYSA-N 2 2 271.361 -0.936 20 0 CBADLP CCOC(=O)[C@@H]1CC[C@@H]([N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)CN1 ZINC001246567368 825688127 /nfs/dbraw/zinc/68/81/27/825688127.db2.gz KRKUSAZEGHJQML-WISYIIOYSA-N 2 2 271.361 -0.936 20 0 CBADLP COC(=O)[C@@H]1CC[C@@H]([N@@H+]2CC[NH2+]C[C@@H](C)C2)CN1 ZINC001246576029 825688796 /nfs/dbraw/zinc/68/87/96/825688796.db2.gz YKKQKCGWVKCQEA-UTUOFQBUSA-N 2 2 255.362 -0.179 20 0 CBADLP COC(=O)[C@@H]1CC[C@@H]([N@H+]2CC[NH2+]C[C@@H](C)C2)CN1 ZINC001246576029 825688800 /nfs/dbraw/zinc/68/88/00/825688800.db2.gz YKKQKCGWVKCQEA-UTUOFQBUSA-N 2 2 255.362 -0.179 20 0 CBADLP CS(=O)(=O)C1CCC([N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)CC1 ZINC001246578360 825689456 /nfs/dbraw/zinc/68/94/56/825689456.db2.gz BHNGEGSBTFZXEZ-XKGSQUFQSA-N 2 2 276.402 -0.406 20 0 CBADLP CS(=O)(=O)C1CCC([N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)CC1 ZINC001246578360 825689461 /nfs/dbraw/zinc/68/94/61/825689461.db2.gz BHNGEGSBTFZXEZ-XKGSQUFQSA-N 2 2 276.402 -0.406 20 0 CBADLP CC1(C[NH3+])C[NH+](C2CCN(S(C)(=O)=O)CC2)C1 ZINC001246598360 825694086 /nfs/dbraw/zinc/69/40/86/825694086.db2.gz NXJDLTLHZUWAJZ-UHFFFAOYSA-N 2 2 261.391 -0.309 20 0 CBADLP O=C1NCC[C@]12C[N@@H+](C1CC[NH2+]CC1)CC21C[NH2+]C1 ZINC001246630820 825697769 /nfs/dbraw/zinc/69/77/69/825697769.db2.gz VPNDVESFQCMRFA-AWEZNQCLSA-N 3 2 264.373 -0.850 20 0 CBADLP O=C1NCC[C@]12C[N@H+](C1CC[NH2+]CC1)CC21C[NH2+]C1 ZINC001246630820 825697775 /nfs/dbraw/zinc/69/77/75/825697775.db2.gz VPNDVESFQCMRFA-AWEZNQCLSA-N 3 2 264.373 -0.850 20 0 CBADLP CC[C@]1(C(=O)OC)C[C@@H](N2CC[NH2+]C[C@@]23CC[NH2+]C3)C[NH2+]1 ZINC001246627305 825698188 /nfs/dbraw/zinc/69/81/88/825698188.db2.gz JBBYPAIEKBVSAM-VHDGCEQUSA-N 3 2 296.415 -0.693 20 0 CBADLP CC[C@]1(C(=O)OC)C[C@@H](N2CCNC[C@@]23CC[NH2+]C3)C[NH2+]1 ZINC001246627305 825698192 /nfs/dbraw/zinc/69/81/92/825698192.db2.gz JBBYPAIEKBVSAM-VHDGCEQUSA-N 2 2 296.415 -0.693 20 0 CBADLP COC(=O)[C@@H]1C[C@@H]([N@@H+]2CC[C@@H]3[NH2+]CC[C@H]32)CCN1 ZINC001246629556 825698328 /nfs/dbraw/zinc/69/83/28/825698328.db2.gz DODSJYTVDIKTLX-FIQHERPVSA-N 2 2 253.346 -0.284 20 0 CBADLP COC(=O)[C@@H]1C[C@@H]([N@H+]2CC[C@@H]3[NH2+]CC[C@H]32)CCN1 ZINC001246629556 825698330 /nfs/dbraw/zinc/69/83/30/825698330.db2.gz DODSJYTVDIKTLX-FIQHERPVSA-N 2 2 253.346 -0.284 20 0 CBADLP C1[NH2+]CC12C[C@@H]([N@@H+]1CC[C@@H]3CC[NH2+][C@@H]3C1)CCN2 ZINC001246637179 825699441 /nfs/dbraw/zinc/69/94/41/825699441.db2.gz MBTJJTWWMBJWEW-RWMBFGLXSA-N 3 2 250.390 -0.236 20 0 CBADLP C1[NH2+]CC12C[C@@H]([N@H+]1CC[C@@H]3CC[NH2+][C@@H]3C1)CCN2 ZINC001246637179 825699445 /nfs/dbraw/zinc/69/94/45/825699445.db2.gz MBTJJTWWMBJWEW-RWMBFGLXSA-N 3 2 250.390 -0.236 20 0 CBADLP C1[NH2+]CC12C[C@H]([N@@H+]1CC[C@@H]3CC[NH2+][C@@H]3C1)CCN2 ZINC001246637181 825699693 /nfs/dbraw/zinc/69/96/93/825699693.db2.gz MBTJJTWWMBJWEW-YNEHKIRRSA-N 3 2 250.390 -0.236 20 0 CBADLP C1[NH2+]CC12C[C@H]([N@H+]1CC[C@@H]3CC[NH2+][C@@H]3C1)CCN2 ZINC001246637181 825699695 /nfs/dbraw/zinc/69/96/95/825699695.db2.gz MBTJJTWWMBJWEW-YNEHKIRRSA-N 3 2 250.390 -0.236 20 0 CBADLP CCOC(=O)N1CC[C@H]([N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)C1 ZINC001246638753 825701057 /nfs/dbraw/zinc/70/10/57/825701057.db2.gz CXMXBSSIFDVMKM-JSGCOSHPSA-N 2 2 282.388 -0.146 20 0 CBADLP CCOC(=O)N1CC[C@H]([N@H+]2CCN[C@]3(CC[NH2+]C3)C2)C1 ZINC001246638753 825701064 /nfs/dbraw/zinc/70/10/64/825701064.db2.gz CXMXBSSIFDVMKM-JSGCOSHPSA-N 2 2 282.388 -0.146 20 0 CBADLP COC(=O)[C@@H]1CC[C@@H]([N@@H+]2C[C@H]3CCC[NH2+][C@H]3C2)CN1 ZINC001246657434 825703627 /nfs/dbraw/zinc/70/36/27/825703627.db2.gz MGNPYJNKFLAIFL-NDBYEHHHSA-N 2 2 267.373 -0.036 20 0 CBADLP COC(=O)[C@@H]1CC[C@@H]([N@H+]2C[C@H]3CCC[NH2+][C@H]3C2)CN1 ZINC001246657434 825703635 /nfs/dbraw/zinc/70/36/35/825703635.db2.gz MGNPYJNKFLAIFL-NDBYEHHHSA-N 2 2 267.373 -0.036 20 0 CBADLP C1[NH2+]CC12C[C@H]([N@@H+]1CCO[C@H]3C[NH2+]CC[C@@H]31)CCN2 ZINC001246661531 825703866 /nfs/dbraw/zinc/70/38/66/825703866.db2.gz GAACQINNFGWNLS-AGIUHOORSA-N 3 2 266.389 -0.857 20 0 CBADLP C1[NH2+]CC12C[C@H]([N@H+]1CCO[C@H]3C[NH2+]CC[C@@H]31)CCN2 ZINC001246661531 825703867 /nfs/dbraw/zinc/70/38/67/825703867.db2.gz GAACQINNFGWNLS-AGIUHOORSA-N 3 2 266.389 -0.857 20 0 CBADLP COCC[NH+]1CCN([C@H]2C[NH2+][C@H](C(=O)OC)C2)CC1 ZINC001246677904 825706897 /nfs/dbraw/zinc/70/68/97/825706897.db2.gz ADPLEGDGSOVXLP-NEPJUHHUSA-N 2 2 271.361 -0.846 20 0 CBADLP CCO[C@@H]1C[C@H]2CN([C@H]3C[NH2+][C@H](C(=O)OC)C3)CC[N@@H+]2C1 ZINC001246750483 825708994 /nfs/dbraw/zinc/70/89/94/825708994.db2.gz XXIAHCGPGXQDGR-RQJABVFESA-N 2 2 297.399 -0.315 20 0 CBADLP CCO[C@@H]1C[C@H]2CN([C@H]3C[NH2+][C@H](C(=O)OC)C3)CC[N@H+]2C1 ZINC001246750483 825708997 /nfs/dbraw/zinc/70/89/97/825708997.db2.gz XXIAHCGPGXQDGR-RQJABVFESA-N 2 2 297.399 -0.315 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](N2CC[N@@H+]3CCC[C@H]3C2)C[NH2+]1 ZINC001246774856 825710795 /nfs/dbraw/zinc/71/07/95/825710795.db2.gz GXAXECDSPOXVEA-TUAOUCFPSA-N 2 2 253.346 -0.330 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](N2CC[N@H+]3CCC[C@H]3C2)C[NH2+]1 ZINC001246774856 825710797 /nfs/dbraw/zinc/71/07/97/825710797.db2.gz GXAXECDSPOXVEA-TUAOUCFPSA-N 2 2 253.346 -0.330 20 0 CBADLP COC(=O)CN1CC[NH+]([C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC001246802168 825712804 /nfs/dbraw/zinc/71/28/04/825712804.db2.gz IRXOGLLGWHVLKC-VXGBXAGGSA-N 2 2 255.362 -0.083 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)C[NH2+]1 ZINC001246839476 825719273 /nfs/dbraw/zinc/71/92/73/825719273.db2.gz CRESNZOWBYAMHN-WHOHXGKFSA-N 2 2 253.346 -0.474 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)C[NH2+]1 ZINC001246839476 825719275 /nfs/dbraw/zinc/71/92/75/825719275.db2.gz CRESNZOWBYAMHN-WHOHXGKFSA-N 2 2 253.346 -0.474 20 0 CBADLP COC(=O)[C@@H]([NH3+])C1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC001246861759 825724527 /nfs/dbraw/zinc/72/45/27/825724527.db2.gz DGLHXTXOTJIPAJ-LBPRGKRZSA-N 3 2 255.362 -0.049 20 0 CBADLP O=C1NC(=O)C2(CC[NH+]([C@@H]3CCC[NH2+]C3)CC2)N1 ZINC001246864072 825724572 /nfs/dbraw/zinc/72/45/72/825724572.db2.gz NAIXLKSIOJBKOP-SECBINFHSA-N 2 2 252.318 -0.588 20 0 CBADLP CC[C@@]1(C(=O)OC)C[C@@H](N(C)CCN2CC[NH2+]CC2)C[NH2+]1 ZINC001246871362 825726062 /nfs/dbraw/zinc/72/60/62/825726062.db2.gz QVYMNVKDBLYUPA-HIFRSBDPSA-N 2 2 298.431 -0.493 20 0 CBADLP O=C1COC2(CC[NH+]([C@@H]3CCC[NH2+]C3)CC2)CN1 ZINC001246880792 825727091 /nfs/dbraw/zinc/72/70/91/825727091.db2.gz SMSVTLVTXVOAEY-LLVKDONJSA-N 2 2 253.346 -0.281 20 0 CBADLP COC(=O)[C@@H]1C[C@H](N2CCC3(C[NH+](C)C3)CC2)C[NH2+]1 ZINC001246874794 825727880 /nfs/dbraw/zinc/72/78/80/825727880.db2.gz LANDFZSMWXYGIG-RYUDHWBXSA-N 2 2 267.373 -0.083 20 0 CBADLP C[C@H](CC(=O)N1CCOCC1)[N@@H+]1C[C@H]2C[C@@]2([NH3+])C1 ZINC001246873361 825727948 /nfs/dbraw/zinc/72/79/48/825727948.db2.gz UXJYLTIZGFPPJD-NQBHXWOUSA-N 2 2 253.346 -0.343 20 0 CBADLP C[C@H](CC(=O)N1CCOCC1)[N@H+]1C[C@H]2C[C@@]2([NH3+])C1 ZINC001246873361 825727952 /nfs/dbraw/zinc/72/79/52/825727952.db2.gz UXJYLTIZGFPPJD-NQBHXWOUSA-N 2 2 253.346 -0.343 20 0 CBADLP COC(=O)[C@@H]1CC[C@H]([N@@H+](C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)CN1 ZINC001246949635 825736159 /nfs/dbraw/zinc/73/61/59/825736159.db2.gz UVNDPIXXDWEWIY-HHHUOAJASA-N 2 2 253.346 -0.570 20 0 CBADLP COC(=O)[C@@H]1CC[C@H]([N@H+](C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)CN1 ZINC001246949635 825736155 /nfs/dbraw/zinc/73/61/55/825736155.db2.gz UVNDPIXXDWEWIY-HHHUOAJASA-N 2 2 253.346 -0.570 20 0 CBADLP CC[NH+]1C[C@@H]2C[NH+]([C@@H]3CN[C@H](C(=O)OC)C3)C[C@H]2C1 ZINC001246980189 825737465 /nfs/dbraw/zinc/73/74/65/825737465.db2.gz PYBAABLTAIKNNE-NDBYEHHHSA-N 2 2 267.373 -0.227 20 0 CBADLP Cc1[nH+]cc(NC[C@@H](O)C[NH+]2CCOCC2)n1C ZINC001251011543 825761821 /nfs/dbraw/zinc/76/18/21/825761821.db2.gz MQBYDVPFPMQKMN-LLVKDONJSA-N 2 2 254.334 -0.166 20 0 CBADLP CC[N@@H+]1C[C@@H]2C[C@H]1CN2C[C@@H](O)C[NH+]1CCOCC1 ZINC001251024247 825765161 /nfs/dbraw/zinc/76/51/61/825765161.db2.gz RAKNSXAQWJEOAJ-IHRRRGAJSA-N 2 2 269.389 -0.542 20 0 CBADLP CC[N@H+]1C[C@@H]2C[C@H]1CN2C[C@@H](O)C[NH+]1CCOCC1 ZINC001251024247 825765167 /nfs/dbraw/zinc/76/51/67/825765167.db2.gz RAKNSXAQWJEOAJ-IHRRRGAJSA-N 2 2 269.389 -0.542 20 0 CBADLP CC[N@H+](CCn1cc[nH+]c1)C[C@@H](O)CN1CCOCC1 ZINC001251023659 825765224 /nfs/dbraw/zinc/76/52/24/825765224.db2.gz KJAVGTWOOKDKNZ-CQSZACIVSA-N 2 2 282.388 -0.102 20 0 CBADLP CC[N@@H+](CCn1cc[nH+]c1)C[C@@H](O)CN1CCOCC1 ZINC001251023659 825765227 /nfs/dbraw/zinc/76/52/27/825765227.db2.gz KJAVGTWOOKDKNZ-CQSZACIVSA-N 2 2 282.388 -0.102 20 0 CBADLP CC[C@@H](O)C[NH2+]CCC(=O)NCCc1c[nH]c[nH+]1 ZINC001251811613 825789183 /nfs/dbraw/zinc/78/91/83/825789183.db2.gz YSYQWSNYTFBQNI-LLVKDONJSA-N 2 2 254.334 -0.181 20 0 CBADLP CC[C@@H](O)C[NH2+]CCC(=O)NCCc1c[nH+]c[nH]1 ZINC001251811613 825789190 /nfs/dbraw/zinc/78/91/90/825789190.db2.gz YSYQWSNYTFBQNI-LLVKDONJSA-N 2 2 254.334 -0.181 20 0 CBADLP NC(=O)C1CC[NH+](C2CC[NH+](C[C@H](O)CO)CC2)CC1 ZINC001252061248 825823067 /nfs/dbraw/zinc/82/30/67/825823067.db2.gz AVZUKUWQDCIURN-ZDUSSCGKSA-N 2 2 285.388 -0.999 20 0 CBADLP C[NH+]1CCN(C(=[NH2+])NC[C@H](O)COCc2ccco2)CC1 ZINC001252654948 825879713 /nfs/dbraw/zinc/87/97/13/825879713.db2.gz JFFDRUARTYOZNK-LBPRGKRZSA-N 2 2 296.371 -0.071 20 0 CBADLP CC(C)OC[C@H](O)C[NH2+]CCC(=O)NCCc1c[nH]c[nH+]1 ZINC001252694395 825884935 /nfs/dbraw/zinc/88/49/35/825884935.db2.gz BSUQLWHIHGIGFQ-CYBMUJFWSA-N 2 2 298.387 -0.166 20 0 CBADLP CC(C)OC[C@H](O)C[NH2+]CCC(=O)NCCc1c[nH+]c[nH]1 ZINC001252694395 825884938 /nfs/dbraw/zinc/88/49/38/825884938.db2.gz BSUQLWHIHGIGFQ-CYBMUJFWSA-N 2 2 298.387 -0.166 20 0 CBADLP CC[NH+](CC)C[C@@H](O)C[NH2+]CCc1nc(C)n[nH]1 ZINC001253209130 825905422 /nfs/dbraw/zinc/90/54/22/825905422.db2.gz XZCSCFPKOKWHPL-NSHDSACASA-N 2 2 255.366 -0.052 20 0 CBADLP CC[NH+](CC)C[C@@H](O)C[NH2+]CCc1nnc(C)[nH]1 ZINC001253209130 825905426 /nfs/dbraw/zinc/90/54/26/825905426.db2.gz XZCSCFPKOKWHPL-NSHDSACASA-N 2 2 255.366 -0.052 20 0 CBADLP CC[NH+](CC)C[C@@H](O)CN[C@H](Cc1c[nH]c[nH+]1)C(=O)OC ZINC001253217207 825907448 /nfs/dbraw/zinc/90/74/48/825907448.db2.gz VHAIWNVCSGKVPD-QWHCGFSZSA-N 2 2 298.387 -0.214 20 0 CBADLP CC[NH+](CC)C[C@@H](O)CN[C@H](Cc1c[nH+]c[nH]1)C(=O)OC ZINC001253217207 825907451 /nfs/dbraw/zinc/90/74/51/825907451.db2.gz VHAIWNVCSGKVPD-QWHCGFSZSA-N 2 2 298.387 -0.214 20 0 CBADLP C[N@H+](CCN1CC[NH+](C)CC1)C[C@H](O)C[NH2+]C(C)(C)C ZINC001253394041 825912393 /nfs/dbraw/zinc/91/23/93/825912393.db2.gz DCVVILALLMIMTE-CQSZACIVSA-N 3 2 286.464 -0.085 20 0 CBADLP C[N@@H+](CCN1CC[NH+](C)CC1)C[C@H](O)C[NH2+]C(C)(C)C ZINC001253394041 825912397 /nfs/dbraw/zinc/91/23/97/825912397.db2.gz DCVVILALLMIMTE-CQSZACIVSA-N 3 2 286.464 -0.085 20 0 CBADLP COC(=O)CO[C@H]1CC[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)C1 ZINC001253398679 825913240 /nfs/dbraw/zinc/91/32/40/825913240.db2.gz YIDKPLJWZKVARH-NEPJUHHUSA-N 2 2 288.388 -0.001 20 0 CBADLP COC(=O)CO[C@H]1CC[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)C1 ZINC001253398679 825913247 /nfs/dbraw/zinc/91/32/47/825913247.db2.gz YIDKPLJWZKVARH-NEPJUHHUSA-N 2 2 288.388 -0.001 20 0 CBADLP C[NH+]1CCN(C(=[NH2+])NC[C@H](O)COC(C)(C)C)CC1 ZINC001253472670 825915590 /nfs/dbraw/zinc/91/55/90/825915590.db2.gz CJZHEVNHQNUHLO-NSHDSACASA-N 2 2 272.393 -0.066 20 0 CBADLP C[NH+](C)Cc1cn(CCOCCOCC[NH3+])nn1 ZINC001254152411 825945247 /nfs/dbraw/zinc/94/52/47/825945247.db2.gz KMJCIUAOKCRXDQ-UHFFFAOYSA-N 2 2 257.338 -0.668 20 0 CBADLP CCOC(=O)C[NH+]1CCC(n2nncc2C[NH3+])CC1 ZINC001254395065 825960899 /nfs/dbraw/zinc/96/08/99/825960899.db2.gz AOLBGBRMPVYYQB-UHFFFAOYSA-N 2 2 267.333 -0.063 20 0 CBADLP CCOC(=O)C[NH+]1CCC(n2cnc(C[NH3+])n2)CC1 ZINC001254395546 825961418 /nfs/dbraw/zinc/96/14/18/825961418.db2.gz PTHYEZGDZYGAQV-UHFFFAOYSA-N 2 2 267.333 -0.063 20 0 CBADLP C[C@H](NC(=O)[C@H](C)[NH2+]C1CC[NH+](C)CC1)C(N)=O ZINC001256201931 826004271 /nfs/dbraw/zinc/00/42/71/826004271.db2.gz TZWQOLOIIVBWMY-IUCAKERBSA-N 2 2 256.350 -0.951 20 0 CBADLP CC(C)[NH+]1CCC([NH2+][C@@H](C)C(=O)NCC(N)=O)CC1 ZINC001257211270 826041188 /nfs/dbraw/zinc/04/11/88/826041188.db2.gz DETFIFZMJKKMIA-JTQLQIEISA-N 2 2 270.377 -0.561 20 0 CBADLP COC(=O)CCS(=O)(=O)CC[C@H](C)[NH2+]C1(C[NH3+])CC1 ZINC001257927685 826055305 /nfs/dbraw/zinc/05/53/05/826055305.db2.gz SSHPQCOVWOSTSH-JTQLQIEISA-N 2 2 292.401 -0.176 20 0 CBADLP CC(C)C[NH+]1CCC([NH2+]CC(=O)NCC(N)=O)CC1 ZINC001258008647 826055430 /nfs/dbraw/zinc/05/54/30/826055430.db2.gz BFUHHUKTXDKVFP-UHFFFAOYSA-N 2 2 270.377 -0.702 20 0 CBADLP C[NH+]1CCN(C[C@H](O)C[NH2+]Cc2cc[nH]n2)CC1 ZINC001261436221 826512320 /nfs/dbraw/zinc/51/23/20/826512320.db2.gz UOYYFQBDJJBABN-GFCCVEGCSA-N 2 2 253.350 -0.892 20 0 CBADLP C[NH+]1CCC([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)CC1 ZINC001261435829 826513024 /nfs/dbraw/zinc/51/30/24/826513024.db2.gz HIQMVPYPGVBXSG-AWEZNQCLSA-N 3 2 270.421 -0.722 20 0 CBADLP CN1CCC([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)CC1 ZINC001261435829 826513027 /nfs/dbraw/zinc/51/30/27/826513027.db2.gz HIQMVPYPGVBXSG-AWEZNQCLSA-N 2 2 270.421 -0.722 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001261492603 826524520 /nfs/dbraw/zinc/52/45/20/826524520.db2.gz LWMBXOWBKSTEEK-LSDHHAIUSA-N 2 2 282.432 -0.313 20 0 CBADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)C[C@@H]1CC[NH2+]C1 ZINC001261491839 826524807 /nfs/dbraw/zinc/52/48/07/826524807.db2.gz HZSDHLHTTPDXTD-WDEREUQCSA-N 2 2 269.345 -0.651 20 0 CBADLP NC(=O)C[N@@H+]1CCC[C@H](NC(=O)CCCCCC[NH3+])C1 ZINC001261501782 826527850 /nfs/dbraw/zinc/52/78/50/826527850.db2.gz NXGIUKIRJMAEKM-LBPRGKRZSA-N 2 2 284.404 -0.039 20 0 CBADLP NC(=O)C[N@H+]1CCC[C@H](NC(=O)CCCCCC[NH3+])C1 ZINC001261501782 826527853 /nfs/dbraw/zinc/52/78/53/826527853.db2.gz NXGIUKIRJMAEKM-LBPRGKRZSA-N 2 2 284.404 -0.039 20 0 CBADLP NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C[C@@H]2CC[NH2+]C2)C1 ZINC001261502036 826528282 /nfs/dbraw/zinc/52/82/82/826528282.db2.gz XFEDNUSUUHWAAS-WDEREUQCSA-N 2 2 268.361 -0.948 20 0 CBADLP NC(=O)C[N@H+]1CCC[C@@H](NC(=O)C[C@@H]2CC[NH2+]C2)C1 ZINC001261502036 826528286 /nfs/dbraw/zinc/52/82/86/826528286.db2.gz XFEDNUSUUHWAAS-WDEREUQCSA-N 2 2 268.361 -0.948 20 0 CBADLP O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC001261634379 826550096 /nfs/dbraw/zinc/55/00/96/826550096.db2.gz FMFCCEFXXKSDFE-NSHDSACASA-N 2 2 291.355 -0.475 20 0 CBADLP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC001261821270 826588220 /nfs/dbraw/zinc/58/82/20/826588220.db2.gz VULRTJAOWKPNBC-NXEZZACHSA-N 2 2 279.344 -0.880 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCC1([NH3+])CCOCC1 ZINC001262009203 826619646 /nfs/dbraw/zinc/61/96/46/826619646.db2.gz NYSQWTQHTPWXKQ-UHFFFAOYSA-N 2 2 252.318 -0.115 20 0 CBADLP Cn1c[nH+]cc1CNC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC001262095925 826635831 /nfs/dbraw/zinc/63/58/31/826635831.db2.gz FYRCYDAFAOWNCE-LLVKDONJSA-N 2 2 267.333 -0.402 20 0 CBADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CO)CC2)CC1 ZINC001262365686 826683496 /nfs/dbraw/zinc/68/34/96/826683496.db2.gz JGGGVIWQZOHOEU-UHFFFAOYSA-N 2 2 255.362 -0.347 20 0 CBADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(=O)NCC2([NH3+])CC2)C1 ZINC001262551727 826706651 /nfs/dbraw/zinc/70/66/51/826706651.db2.gz FHSCEOFNSHQFNH-JTQLQIEISA-N 2 2 291.355 -0.657 20 0 CBADLP C[NH2+]CCOCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001263166947 826747195 /nfs/dbraw/zinc/74/71/95/826747195.db2.gz WYSNZISDZUJRMW-GHMZBOCLSA-N 2 2 266.345 -0.124 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC001263192132 826752460 /nfs/dbraw/zinc/75/24/60/826752460.db2.gz OIUVJECQJGLZRR-LLVKDONJSA-N 3 2 290.358 -0.230 20 0 CBADLP C[C@H](C(=O)N1CC[C@H](CC[NH3+])C1)[NH+]1CCN(C)CC1 ZINC001263212735 826753809 /nfs/dbraw/zinc/75/38/09/826753809.db2.gz BAIICDMHNYDTNI-OLZOCXBDSA-N 2 2 268.405 -0.180 20 0 CBADLP C[C@@H](C(=O)N1CC[C@H](CC[NH3+])C1)[NH+]1CCN(C)CC1 ZINC001263212737 826755286 /nfs/dbraw/zinc/75/52/86/826755286.db2.gz BAIICDMHNYDTNI-STQMWFEESA-N 2 2 268.405 -0.180 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC[C@H]1C[C@H]([NH2+]CCCO)C1 ZINC001264436926 826811937 /nfs/dbraw/zinc/81/19/37/826811937.db2.gz LPXIRSREKZQPOA-HAQNSBGRSA-N 2 2 280.372 -0.171 20 0 CBADLP C[C@H](C(N)=O)[N@H+](C)CCCNC(=O)CCn1cc[nH+]c1 ZINC001265018475 826833288 /nfs/dbraw/zinc/83/32/88/826833288.db2.gz SHMZETLCAOBQLD-LLVKDONJSA-N 2 2 281.360 -0.415 20 0 CBADLP C[C@H](C(N)=O)[N@@H+](C)CCCNC(=O)CCn1cc[nH+]c1 ZINC001265018475 826833303 /nfs/dbraw/zinc/83/33/03/826833303.db2.gz SHMZETLCAOBQLD-LLVKDONJSA-N 2 2 281.360 -0.415 20 0 CBADLP C[C@@H](C(N)=O)[N@H+](C)CCCNC(=O)CCc1[nH+]ccn1C ZINC001265893908 826935535 /nfs/dbraw/zinc/93/55/35/826935535.db2.gz QJKKLJODJHYJEZ-NSHDSACASA-N 2 2 295.387 -0.335 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+](C)CCCNC(=O)CCc1[nH+]ccn1C ZINC001265893908 826935539 /nfs/dbraw/zinc/93/55/39/826935539.db2.gz QJKKLJODJHYJEZ-NSHDSACASA-N 2 2 295.387 -0.335 20 0 CBADLP COCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001265932549 826938962 /nfs/dbraw/zinc/93/89/62/826938962.db2.gz QTOMYNLJMKONCW-JTQLQIEISA-N 2 2 252.318 -0.211 20 0 CBADLP C[C@H](O)C[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001266018295 826947769 /nfs/dbraw/zinc/94/77/69/826947769.db2.gz NVQKRFCOCZBQBL-WDEREUQCSA-N 2 2 266.345 -0.229 20 0 CBADLP C[C@@H](CCNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@@H](C)C(N)=O ZINC001266180638 826960783 /nfs/dbraw/zinc/96/07/83/826960783.db2.gz KJVFYVLJIIOYMO-IUCAKERBSA-N 2 2 267.333 -0.690 20 0 CBADLP CN(CC[NH2+]Cc1nnnn1C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001266743108 827061055 /nfs/dbraw/zinc/06/10/55/827061055.db2.gz DWSIRXHPGCOZEY-NSHDSACASA-N 2 2 295.391 -0.758 20 0 CBADLP CN(CC[NH2+]Cc1nnnn1C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001266743108 827061067 /nfs/dbraw/zinc/06/10/67/827061067.db2.gz DWSIRXHPGCOZEY-NSHDSACASA-N 2 2 295.391 -0.758 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)[NH2+][C@H](C)C(N)=O ZINC001266990691 827104269 /nfs/dbraw/zinc/10/42/69/827104269.db2.gz UQWAFJVJDCFSMM-VXNVDRBHSA-N 2 2 267.333 -0.771 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H]1CC[N@@H+](CCOCCO)C1 ZINC001267303720 827144635 /nfs/dbraw/zinc/14/46/35/827144635.db2.gz AHGQBRUZJKLTGZ-GFCCVEGCSA-N 2 2 296.371 -0.601 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H]1CC[N@H+](CCOCCO)C1 ZINC001267303720 827144640 /nfs/dbraw/zinc/14/46/40/827144640.db2.gz AHGQBRUZJKLTGZ-GFCCVEGCSA-N 2 2 296.371 -0.601 20 0 CBADLP C[C@@H](O)C[NH2+]CCN(C)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC001267441038 827171867 /nfs/dbraw/zinc/17/18/67/827171867.db2.gz JDBAXEJVFWDXIL-GFCCVEGCSA-N 2 2 287.404 -0.474 20 0 CBADLP Cc1nnc(C[NH2+]CCN(C)C(=O)C[NH+]2CCCC2)[nH]1 ZINC001267468632 827175899 /nfs/dbraw/zinc/17/58/99/827175899.db2.gz AIAAQENSPLBDNF-UHFFFAOYSA-N 2 2 280.376 -0.243 20 0 CBADLP O=C(CC[NH+]1CCCCC1)NC1C[NH+](CCO)C1 ZINC001267672379 827195224 /nfs/dbraw/zinc/19/52/24/827195224.db2.gz XRIFZGGZHAGZIS-UHFFFAOYSA-N 2 2 255.362 -0.345 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCC1C[NH+](CCCO)C1 ZINC001267697400 827200347 /nfs/dbraw/zinc/20/03/47/827200347.db2.gz JONVQIPVXIHTQQ-UHFFFAOYSA-N 2 2 266.345 -0.309 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCOCCO ZINC001267706390 827203156 /nfs/dbraw/zinc/20/31/56/827203156.db2.gz ACBPSAIZNOJOES-IHRRRGAJSA-N 2 2 297.399 -0.625 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCOCCO ZINC001267706390 827203164 /nfs/dbraw/zinc/20/31/64/827203164.db2.gz ACBPSAIZNOJOES-IHRRRGAJSA-N 2 2 297.399 -0.625 20 0 CBADLP C[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCOCCO ZINC001267706390 827203172 /nfs/dbraw/zinc/20/31/72/827203172.db2.gz ACBPSAIZNOJOES-IHRRRGAJSA-N 2 2 297.399 -0.625 20 0 CBADLP C[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCOCCO ZINC001267706390 827203182 /nfs/dbraw/zinc/20/31/82/827203182.db2.gz ACBPSAIZNOJOES-IHRRRGAJSA-N 2 2 297.399 -0.625 20 0 CBADLP C[C@H](C[NH2+]CCO)N(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001268072242 827252901 /nfs/dbraw/zinc/25/29/01/827252901.db2.gz SLADVLHMZLZKNG-NEPJUHHUSA-N 2 2 280.372 -0.126 20 0 CBADLP C[C@@H](C[NH2+]CCO)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001268088133 827254701 /nfs/dbraw/zinc/25/47/01/827254701.db2.gz TYVZUXXOGAPAQJ-QJPTWQEYSA-N 2 2 280.372 -0.048 20 0 CBADLP C[C@H](C[NH2+]CCCO)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001268084845 827254983 /nfs/dbraw/zinc/25/49/83/827254983.db2.gz KHTBHMRVBUHYEZ-SNVBAGLBSA-N 2 2 254.334 -0.229 20 0 CBADLP CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001268313442 827294618 /nfs/dbraw/zinc/29/46/18/827294618.db2.gz DONQHHKGUOJKFC-CMPLNLGQSA-N 2 2 266.345 -0.468 20 0 CBADLP COCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001268315197 827296123 /nfs/dbraw/zinc/29/61/23/827296123.db2.gz MYZJOBXDWJZAOL-WCQYABFASA-N 2 2 296.371 -0.841 20 0 CBADLP CCN(CC[NH2+][C@@H](C)C(N)=O)C(=O)Cc1c[nH+]c[nH]1 ZINC001268484544 827340904 /nfs/dbraw/zinc/34/09/04/827340904.db2.gz PZSPAOLLTHXSBR-VIFPVBQESA-N 2 2 267.333 -0.736 20 0 CBADLP CCN(CC[NH2+]CC(=O)NC1CC1)C(=O)Cc1c[nH+]c[nH]1 ZINC001268483348 827341022 /nfs/dbraw/zinc/34/10/22/827341022.db2.gz GRULEYFDUUHQLR-UHFFFAOYSA-N 2 2 293.371 -0.331 20 0 CBADLP C[C@@H]([NH2+]C/C=C/CNC(=O)Cc1c[nH]c[nH+]1)C(N)=O ZINC001268600009 827376686 /nfs/dbraw/zinc/37/66/86/827376686.db2.gz XYIPRRVKVTZFNK-GKQMSVHHSA-N 2 2 265.317 -0.912 20 0 CBADLP C[C@H](C[NH2+]CCO)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001268653956 827393333 /nfs/dbraw/zinc/39/33/33/827393333.db2.gz WGRLELGHOFUWPN-GHMZBOCLSA-N 2 2 266.345 -0.468 20 0 CBADLP C[C@@H](C[NH2+]CCS(C)(=O)=O)NC(=O)Cc1c[nH]c[nH+]1 ZINC001268705314 827407979 /nfs/dbraw/zinc/40/79/79/827407979.db2.gz FAKAYHBUDXQEOV-VIFPVBQESA-N 2 2 288.373 -0.909 20 0 CBADLP CNC(=O)C[NH2+]CCCN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001268930612 827439949 /nfs/dbraw/zinc/43/99/49/827439949.db2.gz DYZSBRDCKFNFQP-UHFFFAOYSA-N 2 2 281.360 -0.555 20 0 CBADLP O=C(N[C@@H](C[NH2+]CCO)C1CC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001269084685 827461087 /nfs/dbraw/zinc/46/10/87/827461087.db2.gz MWJIGTVZRXFPQF-OLZOCXBDSA-N 2 2 292.383 -0.078 20 0 CBADLP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CCOCCO ZINC001269271772 827486643 /nfs/dbraw/zinc/48/66/43/827486643.db2.gz CXTJCDGKTQCSAU-KGLIPLIRSA-N 2 2 299.415 -0.330 20 0 CBADLP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CCOCCO ZINC001269271772 827486647 /nfs/dbraw/zinc/48/66/47/827486647.db2.gz CXTJCDGKTQCSAU-KGLIPLIRSA-N 2 2 299.415 -0.330 20 0 CBADLP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CCOCCO ZINC001269271772 827486653 /nfs/dbraw/zinc/48/66/53/827486653.db2.gz CXTJCDGKTQCSAU-KGLIPLIRSA-N 2 2 299.415 -0.330 20 0 CBADLP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CCOCCO ZINC001269271772 827486656 /nfs/dbraw/zinc/48/66/56/827486656.db2.gz CXTJCDGKTQCSAU-KGLIPLIRSA-N 2 2 299.415 -0.330 20 0 CBADLP COCCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001270027123 827542405 /nfs/dbraw/zinc/54/24/05/827542405.db2.gz HSTWUGWEJFNMMH-ZIAGYGMSSA-N 2 2 299.415 -0.066 20 0 CBADLP COCCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001270027123 827542408 /nfs/dbraw/zinc/54/24/08/827542408.db2.gz HSTWUGWEJFNMMH-ZIAGYGMSSA-N 2 2 299.415 -0.066 20 0 CBADLP C[C@@H](O)C[NH2+]C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001270315606 827557513 /nfs/dbraw/zinc/55/75/13/827557513.db2.gz DEKPNJKVXPYHOE-VXGBXAGGSA-N 2 2 266.345 -0.156 20 0 CBADLP C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](CO)n3cc[nH+]c3)[C@@H]2C1 ZINC001270399803 827563125 /nfs/dbraw/zinc/56/31/25/827563125.db2.gz VPCFMLJFMDFCLD-QJPTWQEYSA-N 2 2 264.329 -0.421 20 0 CBADLP C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](CO)n3cc[nH+]c3)[C@@H]2C1 ZINC001270399803 827563129 /nfs/dbraw/zinc/56/31/29/827563129.db2.gz VPCFMLJFMDFCLD-QJPTWQEYSA-N 2 2 264.329 -0.421 20 0 CBADLP C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001270978633 827612296 /nfs/dbraw/zinc/61/22/96/827612296.db2.gz ZIDPAPVMPMOFIO-SRVKXCTJSA-N 2 2 253.346 -0.378 20 0 CBADLP C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001270978633 827612298 /nfs/dbraw/zinc/61/22/98/827612298.db2.gz ZIDPAPVMPMOFIO-SRVKXCTJSA-N 2 2 253.346 -0.378 20 0 CBADLP C[NH+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001270978633 827612300 /nfs/dbraw/zinc/61/23/00/827612300.db2.gz ZIDPAPVMPMOFIO-SRVKXCTJSA-N 2 2 253.346 -0.378 20 0 CBADLP C[NH+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001270978633 827612302 /nfs/dbraw/zinc/61/23/02/827612302.db2.gz ZIDPAPVMPMOFIO-SRVKXCTJSA-N 2 2 253.346 -0.378 20 0 CBADLP O=C(Cn1cc[nH+]c1)NCC1([NH2+]CCCO)CCOCC1 ZINC001271086048 827621523 /nfs/dbraw/zinc/62/15/23/827621523.db2.gz ILRPNMHDPJOZRS-UHFFFAOYSA-N 2 2 296.371 -0.480 20 0 CBADLP Cc1c[nH+]c2cc(C(=O)NC[C@H](O)C[NH2+]CCO)ccn12 ZINC001272415581 827796427 /nfs/dbraw/zinc/79/64/27/827796427.db2.gz YYZJKILEBGWDKQ-GFCCVEGCSA-N 2 2 292.339 -0.685 20 0 CBADLP O=C(NC[C@@H](O)C[NH2+]CCCO)c1cc2c[nH+]ccc2[nH]1 ZINC001272451994 827799821 /nfs/dbraw/zinc/79/98/21/827799821.db2.gz HKWPOUDSSMMNNV-NSHDSACASA-N 2 2 292.339 -0.374 20 0 CBADLP CN1CC[N@@H+](C)C[C@H]1C(=O)N1CC2(CC[NH+]2C)C1 ZINC001272555001 827821235 /nfs/dbraw/zinc/82/12/35/827821235.db2.gz JJHALBJCEWXHNP-NSHDSACASA-N 2 2 252.362 -0.851 20 0 CBADLP CN1CC[N@H+](C)C[C@H]1C(=O)N1CC2(CC[NH+]2C)C1 ZINC001272555001 827821227 /nfs/dbraw/zinc/82/12/27/827821227.db2.gz JJHALBJCEWXHNP-NSHDSACASA-N 2 2 252.362 -0.851 20 0 CBADLP CN1CC[NH+](C)C[C@H]1C(=O)N1CC2(CC[N@@H+]2C)C1 ZINC001272555001 827821244 /nfs/dbraw/zinc/82/12/44/827821244.db2.gz JJHALBJCEWXHNP-NSHDSACASA-N 2 2 252.362 -0.851 20 0 CBADLP CN1CC[NH+](C)C[C@H]1C(=O)N1CC2(CC[N@H+]2C)C1 ZINC001272555001 827821254 /nfs/dbraw/zinc/82/12/54/827821254.db2.gz JJHALBJCEWXHNP-NSHDSACASA-N 2 2 252.362 -0.851 20 0 CBADLP CN1C[C@@]2(CC[N@H+](Cc3c[nH+]ccc3N)C2)OCC1=O ZINC001272822216 827842881 /nfs/dbraw/zinc/84/28/81/827842881.db2.gz UBBBYSLHYCATHY-CQSZACIVSA-N 2 2 276.340 -0.073 20 0 CBADLP CN1C[C@@]2(CC[N@@H+](Cc3c[nH+]ccc3N)C2)OCC1=O ZINC001272822216 827842893 /nfs/dbraw/zinc/84/28/93/827842893.db2.gz UBBBYSLHYCATHY-CQSZACIVSA-N 2 2 276.340 -0.073 20 0 CBADLP C[C@H](CC[NH2+]C[C@H](C)O)NC(=O)Cc1c[nH]c[nH+]1 ZINC001273045230 827858972 /nfs/dbraw/zinc/85/89/72/827858972.db2.gz QZCGNMYHMJYXNS-ZJUUUORDSA-N 2 2 254.334 -0.183 20 0 CBADLP C[C@H](CC[NH2+]CC(=O)N(C)C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001273091899 827864795 /nfs/dbraw/zinc/86/47/95/827864795.db2.gz XXCLCQKULVESCS-SNVBAGLBSA-N 2 2 281.360 -0.475 20 0 CBADLP CCN(C)C(=O)C[NH2+]CC[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001273212501 827872635 /nfs/dbraw/zinc/87/26/35/827872635.db2.gz MVPAEIKYRAIOQV-LBPRGKRZSA-N 2 2 295.387 -0.154 20 0 CBADLP CN(C)C(=O)C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)C[NH+]1CCC1 ZINC001273362925 827893100 /nfs/dbraw/zinc/89/31/00/827893100.db2.gz IAKVWLWIXDVEFG-STQMWFEESA-N 2 2 294.399 -0.545 20 0 CBADLP CN(C)C(=O)C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)C[NH+]1CCC1 ZINC001273362925 827893107 /nfs/dbraw/zinc/89/31/07/827893107.db2.gz IAKVWLWIXDVEFG-STQMWFEESA-N 2 2 294.399 -0.545 20 0 CBADLP O=C(C[NH+]1CCC1)N1CC2(C1)C[NH+](CCn1ccnc1)C2 ZINC001273366332 827895075 /nfs/dbraw/zinc/89/50/75/827895075.db2.gz BYFGSUMFZRFADF-UHFFFAOYSA-N 2 2 289.383 -0.267 20 0 CBADLP CN1C(=O)COCC12C[NH+](CCCN1CC[NH+](C)CC1)C2 ZINC001273730036 827922434 /nfs/dbraw/zinc/92/24/34/827922434.db2.gz BBACIKZULFRELA-UHFFFAOYSA-N 2 2 296.415 -0.833 20 0 CBADLP CCN(CC[NH2+]CCOC)C(=O)Cn1cc[nH+]c1 ZINC001273779121 827926179 /nfs/dbraw/zinc/92/61/79/827926179.db2.gz XMPKIBDXQTWGNC-UHFFFAOYSA-N 2 2 254.334 -0.032 20 0 CBADLP COC(=O)C[NH+]1CCC2(C[C@@H]2C(=O)NCC[NH+](C)C)CC1 ZINC001273931745 827944374 /nfs/dbraw/zinc/94/43/74/827944374.db2.gz TZGVSABSJCBNIA-GFCCVEGCSA-N 2 2 297.399 -0.061 20 0 CBADLP C[C@H]([NH2+]C/C=C/CNC(=O)CCc1[nH+]ccn1C)C(N)=O ZINC001274228388 827974607 /nfs/dbraw/zinc/97/46/07/827974607.db2.gz QABAKFDOMDBYTK-UFFNRZRYSA-N 2 2 293.371 -0.512 20 0 CBADLP C[C@H](C[NH2+]CCN1CCCC1=O)NC(=O)Cc1[nH]cc[nH+]1 ZINC001274967284 828045782 /nfs/dbraw/zinc/04/57/82/828045782.db2.gz ASSGCQYVRNSZGN-LLVKDONJSA-N 2 2 293.371 -0.331 20 0 CBADLP C[NH+](C)CCN1CCO[C@H]2C[N@H+](Cc3ccnnc3)C[C@H]21 ZINC001275880038 828119333 /nfs/dbraw/zinc/11/93/33/828119333.db2.gz UUJHKFUNFOZDET-CABCVRRESA-N 2 2 291.399 -0.077 20 0 CBADLP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](Cc3ccnnc3)C[C@H]21 ZINC001275880038 828119340 /nfs/dbraw/zinc/11/93/40/828119340.db2.gz UUJHKFUNFOZDET-CABCVRRESA-N 2 2 291.399 -0.077 20 0 CBADLP C[C@@H](O)C[NH2+]C1(CNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001277224844 828180282 /nfs/dbraw/zinc/18/02/82/828180282.db2.gz LZAGXJOBSVPZOR-SNVBAGLBSA-N 2 2 266.345 -0.418 20 0 CBADLP C[C@H](CCC[NH2+]CC(N)=O)NC(=O)Cc1c[nH+]cn1C ZINC001277335438 828184758 /nfs/dbraw/zinc/18/47/58/828184758.db2.gz OUOULQJDNNCETL-SNVBAGLBSA-N 2 2 281.360 -0.678 20 0 CBADLP CC(=O)NCC[N@@H+]1C[C@H]2CN(CC[NH+](C)C)C[C@@H](C1)O2 ZINC001277910335 828217421 /nfs/dbraw/zinc/21/74/21/828217421.db2.gz NBBZKOKVUGJUSO-OKILXGFUSA-N 2 2 284.404 -0.931 20 0 CBADLP CC(=O)NCC[N@H+]1C[C@H]2CN(CC[NH+](C)C)C[C@@H](C1)O2 ZINC001277910335 828217425 /nfs/dbraw/zinc/21/74/25/828217425.db2.gz NBBZKOKVUGJUSO-OKILXGFUSA-N 2 2 284.404 -0.931 20 0 CBADLP C[C@H](CO)C[N@@H+]1C[C@@H]2COC[C@H](C1)N2CCn1cc[nH+]c1 ZINC001277998468 828228761 /nfs/dbraw/zinc/22/87/61/828228761.db2.gz KZWBGFUACGHJHJ-SOUVJXGZSA-N 2 2 294.399 -0.104 20 0 CBADLP C[C@H](CO)C[N@H+]1C[C@@H]2COC[C@H](C1)N2CCn1cc[nH+]c1 ZINC001277998468 828228770 /nfs/dbraw/zinc/22/87/70/828228770.db2.gz KZWBGFUACGHJHJ-SOUVJXGZSA-N 2 2 294.399 -0.104 20 0 CBADLP C[C@@H](O)C[NH2+]C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001278015363 828231635 /nfs/dbraw/zinc/23/16/35/828231635.db2.gz DEKPNJKVXPYHOE-NEPJUHHUSA-N 2 2 266.345 -0.156 20 0 CBADLP CC[C@H](C(N)=O)[NH+]1CC2(C1)CCN(CC[NH+](C)C)C2 ZINC001278032267 828233239 /nfs/dbraw/zinc/23/32/39/828233239.db2.gz KXKHOCVXPLUYPX-GFCCVEGCSA-N 2 2 268.405 -0.180 20 0 CBADLP C[NH+](C)CCC[N@H+]1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001278057386 828239510 /nfs/dbraw/zinc/23/95/10/828239510.db2.gz IWKGSPIOCJPSCT-CABCVRRESA-N 3 2 284.448 -0.115 20 0 CBADLP C[NH+](C)CCC[N@@H+]1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001278057386 828239521 /nfs/dbraw/zinc/23/95/21/828239521.db2.gz IWKGSPIOCJPSCT-CABCVRRESA-N 3 2 284.448 -0.115 20 0 CBADLP CN(C[C@@H](O)C[NH2+]CCF)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001278774601 828286948 /nfs/dbraw/zinc/28/69/48/828286948.db2.gz XRPOGZCIANMOKU-NEPJUHHUSA-N 2 2 298.362 -0.176 20 0 CBADLP C[C@H](C(=O)NCC[N@@H+]1CC[C@H](O)C1)n1cc[nH+]c1 ZINC001348483056 890632960 /nfs/dbraw/zinc/63/29/60/890632960.db2.gz VNJFUCBSDFAELU-MNOVXSKESA-N 2 2 252.318 -0.373 20 0 CBADLP C[C@H](C(=O)NCC[N@H+]1CC[C@H](O)C1)n1cc[nH+]c1 ZINC001348483056 890632966 /nfs/dbraw/zinc/63/29/66/890632966.db2.gz VNJFUCBSDFAELU-MNOVXSKESA-N 2 2 252.318 -0.373 20 0 CBADLP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CC[NH+](C)CC1 ZINC001350733080 891033913 /nfs/dbraw/zinc/03/39/13/891033913.db2.gz QCGANOGZNFPGCD-NWDGAFQWSA-N 2 2 252.362 -0.851 20 0 CBADLP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CC[NH+](C)CC1 ZINC001350733080 891033917 /nfs/dbraw/zinc/03/39/17/891033917.db2.gz QCGANOGZNFPGCD-NWDGAFQWSA-N 2 2 252.362 -0.851 20 0 CBADLP CC(=O)N1CCC(C[NH2+][C@@H]2C[NH2+]CCOC2)CC1 ZINC001350954688 891076796 /nfs/dbraw/zinc/07/67/96/891076796.db2.gz FBYPESHPEFHKOE-CYBMUJFWSA-N 2 2 255.362 -0.177 20 0 CBADLP CC[C@@H]([NH2+]C[C@@H](C)NC(=O)Cn1cc[nH+]c1)C(N)=O ZINC001321760557 884830877 /nfs/dbraw/zinc/83/08/77/884830877.db2.gz RKRYZTDFVLJSRL-NXEZZACHSA-N 2 2 267.333 -0.759 20 0 CBADLP NC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH2+]2)C1 ZINC001326369386 885008973 /nfs/dbraw/zinc/00/89/73/885008973.db2.gz GXVNWCYVZIFWBS-WDEREUQCSA-N 2 2 268.361 -0.806 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC001326612704 885088849 /nfs/dbraw/zinc/08/88/49/885088849.db2.gz CIPGBLJHMWLLLU-GFCCVEGCSA-N 2 2 264.329 -0.760 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC001326612704 885088868 /nfs/dbraw/zinc/08/88/68/885088868.db2.gz CIPGBLJHMWLLLU-GFCCVEGCSA-N 2 2 264.329 -0.760 20 0 CBADLP C[N@H+](CCOCC[NH3+])Cc1cc(=O)n2[nH]ccc2n1 ZINC001329596277 886137950 /nfs/dbraw/zinc/13/79/50/886137950.db2.gz LWOQQQKIBTZYDH-UHFFFAOYSA-N 2 2 265.317 -0.570 20 0 CBADLP C[N@@H+](CCOCC[NH3+])Cc1cc(=O)n2[nH]ccc2n1 ZINC001329596277 886137959 /nfs/dbraw/zinc/13/79/59/886137959.db2.gz LWOQQQKIBTZYDH-UHFFFAOYSA-N 2 2 265.317 -0.570 20 0 CBADLP Cn1ncc(C[NH2+]CCCCN2CC[NH+](C)CC2)n1 ZINC001330333925 886420248 /nfs/dbraw/zinc/42/02/48/886420248.db2.gz JRBQGSJYTBTCRL-UHFFFAOYSA-N 2 2 266.393 -0.068 20 0 CBADLP NC(=O)C[N@H+](CCn1cc[nH+]c1)C1CCOCC1 ZINC001330734335 886547164 /nfs/dbraw/zinc/54/71/64/886547164.db2.gz XNGAVWBAUAJKEE-UHFFFAOYSA-N 2 2 252.318 -0.151 20 0 CBADLP NC(=O)C[N@@H+](CCn1cc[nH+]c1)C1CCOCC1 ZINC001330734335 886547171 /nfs/dbraw/zinc/54/71/71/886547171.db2.gz XNGAVWBAUAJKEE-UHFFFAOYSA-N 2 2 252.318 -0.151 20 0 CBADLP O=C(NC[C@H]1C[NH2+]CCO1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001331052825 886660278 /nfs/dbraw/zinc/66/02/78/886660278.db2.gz KDZJKJHEWUVUKE-OPRDCNLKSA-N 2 2 250.302 -0.382 20 0 CBADLP C[N@H+](CCNC(=O)Cc1c[nH]c[nH+]1)CCOCCO ZINC001332315023 887198722 /nfs/dbraw/zinc/19/87/22/887198722.db2.gz SYTHZAPWALZYRB-UHFFFAOYSA-N 2 2 270.333 -0.991 20 0 CBADLP C[N@@H+](CCNC(=O)Cc1c[nH]c[nH+]1)CCOCCO ZINC001332315023 887198778 /nfs/dbraw/zinc/19/87/78/887198778.db2.gz SYTHZAPWALZYRB-UHFFFAOYSA-N 2 2 270.333 -0.991 20 0 CBADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)NCC[NH2+]C ZINC001335583490 888570993 /nfs/dbraw/zinc/57/09/93/888570993.db2.gz FXGFHOBWCALXKO-NSHDSACASA-N 2 2 258.366 -0.384 20 0 CBADLP CO[C@@H](C)CNC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001338653378 889186930 /nfs/dbraw/zinc/18/69/30/889186930.db2.gz GIPPYPDEYOFHEL-JTQLQIEISA-N 2 2 258.366 -0.256 20 0 CBADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)[C@@H]1C[C@@H]1C[NH3+] ZINC001340725014 889473293 /nfs/dbraw/zinc/47/32/93/889473293.db2.gz SIPGVZNPAVGUBH-WRWGMCAJSA-N 2 2 255.362 -0.193 20 0 CBADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)[C@@H]1C[C@@H]1C[NH3+] ZINC001340725014 889473301 /nfs/dbraw/zinc/47/33/01/889473301.db2.gz SIPGVZNPAVGUBH-WRWGMCAJSA-N 2 2 255.362 -0.193 20 0 CBADLP C[C@@H](O)C[NH+]1CC(NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001443553047 912224977 /nfs/dbraw/zinc/22/49/77/912224977.db2.gz CQIUYLSHGMSAQY-NWDGAFQWSA-N 2 2 285.388 -0.864 20 0 CBADLP CC[N@@H+]1CC[C@@H]1C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC001443601554 912236947 /nfs/dbraw/zinc/23/69/47/912236947.db2.gz OXSVJIIVPLULAG-CHWSQXEVSA-N 2 2 268.405 -0.167 20 0 CBADLP CC[N@H+]1CC[C@@H]1C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC001443601554 912236962 /nfs/dbraw/zinc/23/69/62/912236962.db2.gz OXSVJIIVPLULAG-CHWSQXEVSA-N 2 2 268.405 -0.167 20 0 CBADLP CCNC(=O)C[NH+]1CC(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001443590886 912239136 /nfs/dbraw/zinc/23/91/36/912239136.db2.gz ZTUCTKSAUKRSHP-UHFFFAOYSA-N 2 2 296.415 -0.345 20 0 CBADLP CCN(C)C(=O)C[NH+]1CC(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001443652238 912248427 /nfs/dbraw/zinc/24/84/27/912248427.db2.gz JWXFKWAEUCUWGJ-UHFFFAOYSA-N 2 2 298.431 -0.147 20 0 CBADLP CCN(C)C(=O)C[NH+]1CC(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001443652238 912248438 /nfs/dbraw/zinc/24/84/38/912248438.db2.gz JWXFKWAEUCUWGJ-UHFFFAOYSA-N 2 2 298.431 -0.147 20 0 CBADLP CC[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+]CC(=O)NC ZINC001443925392 912302372 /nfs/dbraw/zinc/30/23/72/912302372.db2.gz CSMUPTAJXRZEDZ-JTQLQIEISA-N 2 2 281.360 -0.427 20 0 CBADLP CC[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH2+]CC(=O)NC ZINC001443925392 912302396 /nfs/dbraw/zinc/30/23/96/912302396.db2.gz CSMUPTAJXRZEDZ-JTQLQIEISA-N 2 2 281.360 -0.427 20 0 CBADLP CC[C@H](CNC(=O)Cc1[nH]c[nH+]c1C)[NH2+][C@@H](C)C(=O)NC ZINC001444017022 912327123 /nfs/dbraw/zinc/32/71/23/912327123.db2.gz MPVTYNWBTUORSY-WDEREUQCSA-N 2 2 295.387 -0.120 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]C[C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001444392463 912444818 /nfs/dbraw/zinc/44/48/18/912444818.db2.gz RWNUASLMRZWVHN-QWRGUYRKSA-N 2 2 295.387 -0.561 20 0 CBADLP C[C@@H](C[NH2+][C@@H]1CCNC1=O)N(C)C(=O)Cn1cc[nH+]c1 ZINC001444727049 912497019 /nfs/dbraw/zinc/49/70/19/912497019.db2.gz NFHMIEJKYYLRHQ-WDEREUQCSA-N 2 2 279.344 -0.792 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CC(N)=O ZINC001445102072 912558180 /nfs/dbraw/zinc/55/81/80/912558180.db2.gz CJYYHGVXYGDVOI-PWSUYJOCSA-N 2 2 293.371 -0.678 20 0 CBADLP CN(CC[N@H+](C)Cc1cnnn1C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001445080100 912558427 /nfs/dbraw/zinc/55/84/27/912558427.db2.gz CJGNNLCSMHTWPT-LBPRGKRZSA-N 2 2 294.403 -0.343 20 0 CBADLP CN(CC[N@@H+](C)Cc1cnnn1C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001445080100 912558440 /nfs/dbraw/zinc/55/84/40/912558440.db2.gz CJGNNLCSMHTWPT-LBPRGKRZSA-N 2 2 294.403 -0.343 20 0 CBADLP CN(CC[NH+](C)Cc1cnnn1C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001445080100 912558450 /nfs/dbraw/zinc/55/84/50/912558450.db2.gz CJGNNLCSMHTWPT-LBPRGKRZSA-N 2 2 294.403 -0.343 20 0 CBADLP CN(CC[NH+](C)Cc1cnnn1C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001445080100 912558460 /nfs/dbraw/zinc/55/84/60/912558460.db2.gz CJGNNLCSMHTWPT-LBPRGKRZSA-N 2 2 294.403 -0.343 20 0 CBADLP CC(C)[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001445200358 912599699 /nfs/dbraw/zinc/59/96/99/912599699.db2.gz GTDBKVSNFKWQOE-DGCLKSJQSA-N 2 2 280.372 -0.079 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@H](O)C[NH2+]C[C@@H]1CCCCO1 ZINC001445263475 912618633 /nfs/dbraw/zinc/61/86/33/912618633.db2.gz WQKITGNFYMFEAK-STQMWFEESA-N 2 2 296.371 -0.412 20 0 CBADLP C[C@H](C[NH2+][C@H](C)C(=O)N(C)C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001445391447 912656345 /nfs/dbraw/zinc/65/63/45/912656345.db2.gz SRJWLHUUUWGJSB-GHMZBOCLSA-N 2 2 295.387 -0.087 20 0 CBADLP C[C@H](C[NH2+][C@H](C)C(=O)N(C)C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001445391447 912656354 /nfs/dbraw/zinc/65/63/54/912656354.db2.gz SRJWLHUUUWGJSB-GHMZBOCLSA-N 2 2 295.387 -0.087 20 0 CBADLP C[C@H](C[NH2+][C@H]1CCCNC1=O)NC(=O)CCn1cc[nH+]c1 ZINC001445420076 912661977 /nfs/dbraw/zinc/66/19/77/912661977.db2.gz YQKJHEZDEKCCCR-NEPJUHHUSA-N 2 2 293.371 -0.354 20 0 CBADLP COC[C@@H](O)C[N@H+](C)C[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001445850479 912772754 /nfs/dbraw/zinc/77/27/54/912772754.db2.gz GDAALFACCOPOSV-PWSUYJOCSA-N 2 2 298.387 -0.296 20 0 CBADLP COC[C@@H](O)C[N@@H+](C)C[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001445850479 912772770 /nfs/dbraw/zinc/77/27/70/912772770.db2.gz GDAALFACCOPOSV-PWSUYJOCSA-N 2 2 298.387 -0.296 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]C[C@H](NC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001445985795 912794811 /nfs/dbraw/zinc/79/48/11/912794811.db2.gz IGYAGDGFDIYTQG-KOLCDFICSA-N 2 2 293.371 -0.429 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]C[C@H](NC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001446022903 912801536 /nfs/dbraw/zinc/80/15/36/912801536.db2.gz WOKHVUVRXROUGD-PWSUYJOCSA-N 2 2 293.371 -0.498 20 0 CBADLP CC[N@H+](C)CCC(=O)NC[C@@H]1CC[NH+]1[C@H]1CCCNC1=O ZINC001446124676 912816205 /nfs/dbraw/zinc/81/62/05/912816205.db2.gz HUFORNYDPPIMAB-STQMWFEESA-N 2 2 296.415 -0.203 20 0 CBADLP CC[N@@H+](C)CCC(=O)NC[C@@H]1CC[NH+]1[C@H]1CCCNC1=O ZINC001446124676 912816220 /nfs/dbraw/zinc/81/62/20/912816220.db2.gz HUFORNYDPPIMAB-STQMWFEESA-N 2 2 296.415 -0.203 20 0 CBADLP CC[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+]1[C@H]1CCCNC1=O ZINC001446124676 912816230 /nfs/dbraw/zinc/81/62/30/912816230.db2.gz HUFORNYDPPIMAB-STQMWFEESA-N 2 2 296.415 -0.203 20 0 CBADLP CC[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+]1[C@H]1CCCNC1=O ZINC001446124676 912816248 /nfs/dbraw/zinc/81/62/48/912816248.db2.gz HUFORNYDPPIMAB-STQMWFEESA-N 2 2 296.415 -0.203 20 0 CBADLP CC(C)[C@@H]([NH3+])CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000911823862 884597093 /nfs/dbraw/zinc/59/70/93/884597093.db2.gz AGSPRIUEXVJIJF-RDBSUJKOSA-N 2 2 299.415 -0.034 20 0 CBADLP O=C(NC[C@H]1CC[N@@H+](CCO)C1)[C@H]1CCn2cc[nH+]c2C1 ZINC001028641636 884615339 /nfs/dbraw/zinc/61/53/39/884615339.db2.gz HWAQJGOFNVPUHG-OLZOCXBDSA-N 2 2 292.383 -0.124 20 0 CBADLP O=C(NC[C@H]1CC[N@H+](CCO)C1)[C@H]1CCn2cc[nH+]c2C1 ZINC001028641636 884615348 /nfs/dbraw/zinc/61/53/48/884615348.db2.gz HWAQJGOFNVPUHG-OLZOCXBDSA-N 2 2 292.383 -0.124 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CC[N@@H+](CCCF)C[C@@H]1O ZINC001090601643 884645618 /nfs/dbraw/zinc/64/56/18/884645618.db2.gz UZMASVABLLGYMQ-NEPJUHHUSA-N 2 2 284.335 -0.137 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CC[N@H+](CCCF)C[C@@H]1O ZINC001090601643 884645627 /nfs/dbraw/zinc/64/56/27/884645627.db2.gz UZMASVABLLGYMQ-NEPJUHHUSA-N 2 2 284.335 -0.137 20 0 CBADLP CN1CC[C@@H]([NH2+]CCNC(=O)CCc2c[nH+]c[nH]2)C1=O ZINC001128972470 884668341 /nfs/dbraw/zinc/66/83/41/884668341.db2.gz BXNYGCXDBJZTQQ-LLVKDONJSA-N 2 2 279.344 -0.721 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)NCC[NH2+]CC(=O)N1CCCC1 ZINC001128986092 884669169 /nfs/dbraw/zinc/66/91/69/884669169.db2.gz FRUADNFOKVFENT-UHFFFAOYSA-N 2 2 293.371 -0.330 20 0 CBADLP CCC[N@H+](C)CC(=O)NCC1([NH2+]Cc2nncn2C)CC1 ZINC001446256977 912849993 /nfs/dbraw/zinc/84/99/93/912849993.db2.gz GINAUMHPNUXLNX-UHFFFAOYSA-N 2 2 294.403 -0.105 20 0 CBADLP CCC[N@@H+](C)CC(=O)NCC1([NH2+]Cc2nncn2C)CC1 ZINC001446256977 912850007 /nfs/dbraw/zinc/85/00/07/912850007.db2.gz GINAUMHPNUXLNX-UHFFFAOYSA-N 2 2 294.403 -0.105 20 0 CBADLP C[C@H](CCCC[NH2+]CC(N)=O)NC(=O)Cc1[nH]cc[nH+]1 ZINC001175874452 884696562 /nfs/dbraw/zinc/69/65/62/884696562.db2.gz SYZSJHQKIVAMIK-SNVBAGLBSA-N 2 2 281.360 -0.298 20 0 CBADLP COCCC[N@@H+]1CC[C@@](O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001278815566 884818414 /nfs/dbraw/zinc/81/84/14/884818414.db2.gz GVNORZFZNXILFC-CQSZACIVSA-N 2 2 296.371 -0.458 20 0 CBADLP COCCC[N@H+]1CC[C@@](O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001278815566 884818426 /nfs/dbraw/zinc/81/84/26/884818426.db2.gz GVNORZFZNXILFC-CQSZACIVSA-N 2 2 296.371 -0.458 20 0 CBADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)CCCCC[NH3+] ZINC001326274578 884966370 /nfs/dbraw/zinc/96/63/70/884966370.db2.gz DEFHQYMGEGFKFZ-LLVKDONJSA-N 2 2 271.361 -0.131 20 0 CBADLP C[C@@H](C(=O)N1CC[C@H](C[NH3+])C1)[NH+]1CCN(C)CC1 ZINC001326276765 884969400 /nfs/dbraw/zinc/96/94/00/884969400.db2.gz WEZBVPYRHQKUQG-NWDGAFQWSA-N 2 2 254.378 -0.571 20 0 CBADLP C[C@@H](C(=O)N1CC[C@@H](C[NH3+])C1)[NH+]1CCN(C)CC1 ZINC001326276766 884969633 /nfs/dbraw/zinc/96/96/33/884969633.db2.gz WEZBVPYRHQKUQG-RYUDHWBXSA-N 2 2 254.378 -0.571 20 0 CBADLP C[NH2+]C[C@@H]1CCN(C(=O)[C@@H](C)[NH+]2CCN(C)CC2)C1 ZINC001326309521 884981201 /nfs/dbraw/zinc/98/12/01/884981201.db2.gz NDLVLWSJRNMMEX-OLZOCXBDSA-N 2 2 268.405 -0.310 20 0 CBADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC001326310162 884981497 /nfs/dbraw/zinc/98/14/97/884981497.db2.gz WNCAGWRFNMBRJI-KXUCPTDWSA-N 2 2 255.318 -0.913 20 0 CBADLP C[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001326370024 885006607 /nfs/dbraw/zinc/00/66/07/885006607.db2.gz LHYQELOTGIFXAP-QWRGUYRKSA-N 3 2 254.378 -0.382 20 0 CBADLP C[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001326370024 885006624 /nfs/dbraw/zinc/00/66/24/885006624.db2.gz LHYQELOTGIFXAP-QWRGUYRKSA-N 3 2 254.378 -0.382 20 0 CBADLP C[C@H](C(=O)NCCN1CC[NH2+]CC1)n1cc[nH+]c1 ZINC001326370789 885007535 /nfs/dbraw/zinc/00/75/35/885007535.db2.gz HXMRAVVJXLRASK-LLVKDONJSA-N 2 2 251.334 -0.535 20 0 CBADLP C[C@]1(C(=O)N[C@H]2CCC[N@H+](CC(N)=O)C2)CC[NH2+]C1 ZINC001326372056 885008411 /nfs/dbraw/zinc/00/84/11/885008411.db2.gz XFIZCPWCXYOIEL-GWCFXTLKSA-N 2 2 268.361 -0.948 20 0 CBADLP C[C@]1(C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)C2)CC[NH2+]C1 ZINC001326372056 885008430 /nfs/dbraw/zinc/00/84/30/885008430.db2.gz XFIZCPWCXYOIEL-GWCFXTLKSA-N 2 2 268.361 -0.948 20 0 CBADLP NC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH2+]2)C1 ZINC001326369386 885008961 /nfs/dbraw/zinc/00/89/61/885008961.db2.gz GXVNWCYVZIFWBS-WDEREUQCSA-N 2 2 268.361 -0.806 20 0 CBADLP C[NH+]1CCN(CCCCNC(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC001326664658 885107114 /nfs/dbraw/zinc/10/71/14/885107114.db2.gz TVMQLYNMIVEFMS-ZDUSSCGKSA-N 2 2 284.404 -0.881 20 0 CBADLP NC(=O)NC(=O)OCCC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC001326715374 885119474 /nfs/dbraw/zinc/11/94/74/885119474.db2.gz AZGNABYSQVHOAX-UHFFFAOYSA-N 2 2 296.331 -0.273 20 0 CBADLP CC1CC[NH+](CC(=O)N[C@]2(C)CC[N@H+](CC(N)=O)C2)CC1 ZINC001446545257 912905192 /nfs/dbraw/zinc/90/51/92/912905192.db2.gz FLRQVTGSDIAALS-OAHLLOKOSA-N 2 2 296.415 -0.216 20 0 CBADLP CC1CC[NH+](CC(=O)N[C@]2(C)CC[N@@H+](CC(N)=O)C2)CC1 ZINC001446545257 912905212 /nfs/dbraw/zinc/90/52/12/912905212.db2.gz FLRQVTGSDIAALS-OAHLLOKOSA-N 2 2 296.415 -0.216 20 0 CBADLP C[C@H](C(=O)NCCCN1CC[NH2+]CC1)n1cc[nH+]c1 ZINC001327196589 885285150 /nfs/dbraw/zinc/28/51/50/885285150.db2.gz SHBSKTKBFCCRPD-GFCCVEGCSA-N 2 2 265.361 -0.144 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)NCC[C@@H](C)[NH2+]C)CC1 ZINC001327550301 885401082 /nfs/dbraw/zinc/40/10/82/885401082.db2.gz GIMGZBGHZKLSTF-LLVKDONJSA-N 2 2 270.377 -0.735 20 0 CBADLP CC[N@@H+]1CC[C@@](O)(CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001446756318 912936979 /nfs/dbraw/zinc/93/69/79/912936979.db2.gz MFUJHVAGTAYPGQ-CQSZACIVSA-N 2 2 280.372 -0.074 20 0 CBADLP CC[N@H+]1CC[C@@](O)(CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001446756318 912936997 /nfs/dbraw/zinc/93/69/97/912936997.db2.gz MFUJHVAGTAYPGQ-CQSZACIVSA-N 2 2 280.372 -0.074 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NCC1(O)C[NH+](CCCF)C1 ZINC001446924347 912979844 /nfs/dbraw/zinc/97/98/44/912979844.db2.gz WTPGMSIGZBZPKY-UHFFFAOYSA-N 2 2 275.368 -0.151 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NCC1(O)C[NH+](CCCF)C1 ZINC001446924347 912979854 /nfs/dbraw/zinc/97/98/54/912979854.db2.gz WTPGMSIGZBZPKY-UHFFFAOYSA-N 2 2 275.368 -0.151 20 0 CBADLP Cn1c[nH+]c(CCNC(=O)NC[C@H]2COCC[NH2+]2)c1 ZINC001329054803 885902423 /nfs/dbraw/zinc/90/24/23/885902423.db2.gz MROSSZYEOKSCTA-NSHDSACASA-N 2 2 267.333 -0.750 20 0 CBADLP C[C@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H](C)[NH2+]CCCO ZINC001329152729 885952673 /nfs/dbraw/zinc/95/26/73/885952673.db2.gz SKPMTBIDYGSSOV-UWVGGRQHSA-N 2 2 254.334 -0.183 20 0 CBADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)C[C@H]1CCC[NH2+]1 ZINC001329465274 886080682 /nfs/dbraw/zinc/08/06/82/886080682.db2.gz JFCUWAMZCIILAF-GHMZBOCLSA-N 2 2 269.345 -0.508 20 0 CBADLP C[C@H](C[NH3+])C(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC001329651272 886161237 /nfs/dbraw/zinc/16/12/37/886161237.db2.gz IEZNFAYLSPDJAF-GFCCVEGCSA-N 2 2 268.405 -0.180 20 0 CBADLP CC[C@H](C(=O)NC1(CCO)C[NH+](CC)C1)[NH+](C)C ZINC001329668357 886167063 /nfs/dbraw/zinc/16/70/63/886167063.db2.gz FHQWAZOESXBCIV-LLVKDONJSA-N 2 2 257.378 -0.101 20 0 CBADLP CN(CCC[NH3+])C(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC001330524379 886468431 /nfs/dbraw/zinc/46/84/31/886468431.db2.gz DERLVLMQMUXZLE-SNVBAGLBSA-N 2 2 279.344 -0.879 20 0 CBADLP CC[NH2+]CC(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC001330641664 886514795 /nfs/dbraw/zinc/51/47/95/886514795.db2.gz YALCFAXUWRWJAI-UHFFFAOYSA-N 2 2 268.405 -0.166 20 0 CBADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@H]([NH3+])CC1CC1 ZINC001330879833 886612643 /nfs/dbraw/zinc/61/26/43/886612643.db2.gz MKSQCHZHIQHIHY-GHMZBOCLSA-N 2 2 269.345 -0.523 20 0 CBADLP C[NH2+]C[C@H]1CCCCN1C(=O)CN1CC[NH2+]CC1=O ZINC001330929582 886630413 /nfs/dbraw/zinc/63/04/13/886630413.db2.gz MTYXBTHQKITZPA-LLVKDONJSA-N 2 2 268.361 -0.981 20 0 CBADLP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ncnn1C ZINC001331258302 886754200 /nfs/dbraw/zinc/75/42/00/886754200.db2.gz UGXTYTYTMIKNMX-NSHDSACASA-N 2 2 252.366 -0.459 20 0 CBADLP CCC[N@H+](C)CC(=O)N[C@@H]1COC2(C[NH+](C[C@@H](C)O)C2)C1 ZINC001447420311 913076484 /nfs/dbraw/zinc/07/64/84/913076484.db2.gz VJUIITBMPJIBOK-OLZOCXBDSA-N 2 2 299.415 -0.332 20 0 CBADLP CCC[N@@H+](C)CC(=O)N[C@@H]1COC2(C[NH+](C[C@@H](C)O)C2)C1 ZINC001447420311 913076498 /nfs/dbraw/zinc/07/64/98/913076498.db2.gz VJUIITBMPJIBOK-OLZOCXBDSA-N 2 2 299.415 -0.332 20 0 CBADLP C[C@@H](CN(C)C(=O)CCc1c[nH]c[nH+]1)[NH2+]CCO ZINC001331468311 886815712 /nfs/dbraw/zinc/81/57/12/886815712.db2.gz ARPMRIWNLJHKIZ-JTQLQIEISA-N 2 2 254.334 -0.229 20 0 CBADLP C[C@@H](CN(C)C(=O)CCc1c[nH+]c[nH]1)[NH2+]CCO ZINC001331468311 886815725 /nfs/dbraw/zinc/81/57/25/886815725.db2.gz ARPMRIWNLJHKIZ-JTQLQIEISA-N 2 2 254.334 -0.229 20 0 CBADLP C[C@@H](CN(C)C(=O)CCc1c[nH+]cn1C)[NH2+]CCO ZINC001331626070 886871610 /nfs/dbraw/zinc/87/16/10/886871610.db2.gz DQCXDBBYBBGOMH-NSHDSACASA-N 2 2 268.361 -0.219 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)CCC1C[NH2+]C1 ZINC001331690820 886911562 /nfs/dbraw/zinc/91/15/62/886911562.db2.gz WSFJLLYUMXYSAZ-NSHDSACASA-N 2 2 269.345 -0.651 20 0 CBADLP O=C(NC[C@H](CO)[NH2+]CCCF)[C@@H]1CCn2cc[nH+]c2C1 ZINC001331738015 886946479 /nfs/dbraw/zinc/94/64/79/886946479.db2.gz DRKPCQUPRIOMBX-VXGBXAGGSA-N 2 2 298.362 -0.128 20 0 CBADLP COC(=O)[C@@H]([NH3+])Cc1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC001331918339 887046276 /nfs/dbraw/zinc/04/62/76/887046276.db2.gz MYOWTENGCGVBPZ-WPRPVWTQSA-N 2 2 253.306 -0.927 20 0 CBADLP COCCOC[C@@H](O)C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC001331971998 887070731 /nfs/dbraw/zinc/07/07/31/887070731.db2.gz OPACUCWZFGYTDM-QWRGUYRKSA-N 2 2 269.345 -0.120 20 0 CBADLP [NH3+]C[C@@H]1CC[N@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC001331980656 887073985 /nfs/dbraw/zinc/07/39/85/887073985.db2.gz JJROUUSZUSRVHW-RYUDHWBXSA-N 3 2 264.377 -0.017 20 0 CBADLP [NH3+]C[C@@H]1CC[N@@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC001331980656 887074002 /nfs/dbraw/zinc/07/40/02/887074002.db2.gz JJROUUSZUSRVHW-RYUDHWBXSA-N 3 2 264.377 -0.017 20 0 CBADLP O=S1(=O)C[C@@H]2CC[N@H+](C[C@H]3CC[NH2+]C3)C[C@@H]2C1 ZINC001332233443 887164163 /nfs/dbraw/zinc/16/41/63/887164163.db2.gz XJBMTGONGMAGMY-SDDRHHMPSA-N 2 2 258.387 -0.038 20 0 CBADLP O=S1(=O)C[C@@H]2CC[N@@H+](C[C@H]3CC[NH2+]C3)C[C@@H]2C1 ZINC001332233443 887164168 /nfs/dbraw/zinc/16/41/68/887164168.db2.gz XJBMTGONGMAGMY-SDDRHHMPSA-N 2 2 258.387 -0.038 20 0 CBADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21 ZINC001332239646 887168276 /nfs/dbraw/zinc/16/82/76/887168276.db2.gz VVWGHVUBBHOXGK-ZDEQEGDKSA-N 2 2 267.373 -0.179 20 0 CBADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21 ZINC001332239646 887168279 /nfs/dbraw/zinc/16/82/79/887168279.db2.gz VVWGHVUBBHOXGK-ZDEQEGDKSA-N 2 2 267.373 -0.179 20 0 CBADLP O[C@@H](C[NH2+]CCn1cc[nH+]c1)CC1(O)CCOCC1 ZINC001332287403 887183368 /nfs/dbraw/zinc/18/33/68/887183368.db2.gz GLKBVDOCXZGCAU-GFCCVEGCSA-N 2 2 269.345 -0.235 20 0 CBADLP C(C[N@H+]1C[C@H]2CC[C@@H](C1)O2)N1CC[NH2+]CC[NH2+]CC1 ZINC001332333481 887209594 /nfs/dbraw/zinc/20/95/94/887209594.db2.gz BVCFLJJQMPZPQI-OKILXGFUSA-N 3 2 268.405 -0.656 20 0 CBADLP C(C[N@@H+]1C[C@H]2CC[C@@H](C1)O2)N1CC[NH2+]CC[NH2+]CC1 ZINC001332333481 887209606 /nfs/dbraw/zinc/20/96/06/887209606.db2.gz BVCFLJJQMPZPQI-OKILXGFUSA-N 3 2 268.405 -0.656 20 0 CBADLP CS(=O)(=O)C[C@H](O)C[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC001332876260 887459140 /nfs/dbraw/zinc/45/91/40/887459140.db2.gz DWQKDNBXXTZBLC-VWYCJHECSA-N 2 2 264.391 -0.359 20 0 CBADLP NC(=O)C[N@@H+]1CCC[C@H](NC(=O)/C=C/[C@H]2CCC[NH2+]C2)C1 ZINC001332975981 887493294 /nfs/dbraw/zinc/49/32/94/887493294.db2.gz MPCCTITXPCSHQQ-PBJSTTKNSA-N 2 2 294.399 -0.392 20 0 CBADLP NC(=O)C[N@H+]1CCC[C@H](NC(=O)/C=C/[C@H]2CCC[NH2+]C2)C1 ZINC001332975981 887493302 /nfs/dbraw/zinc/49/33/02/887493302.db2.gz MPCCTITXPCSHQQ-PBJSTTKNSA-N 2 2 294.399 -0.392 20 0 CBADLP C[NH+]1CCN(C2CC[NH+]([C@H]3CCNC3=O)CC2)CC1 ZINC001333052472 887511861 /nfs/dbraw/zinc/51/18/61/887511861.db2.gz BTQWTCMPQNPXMT-ZDUSSCGKSA-N 2 2 266.389 -0.413 20 0 CBADLP COC(=O)[C@@H]([NH3+])Cc1cn(CC2CC[NH2+]CC2)nn1 ZINC001333125856 887538390 /nfs/dbraw/zinc/53/83/90/887538390.db2.gz QOGAIEYTGHEYIQ-NSHDSACASA-N 2 2 267.333 -0.680 20 0 CBADLP CCN(C(=O)C(=O)NCCc1cn(C)c[nH+]1)[C@H]1CC[NH2+]C1 ZINC001333381100 887616649 /nfs/dbraw/zinc/61/66/49/887616649.db2.gz YSYUJNVITBWTAZ-LBPRGKRZSA-N 2 2 293.371 -0.711 20 0 CBADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@H](CC)[NH2+]C ZINC001333630932 887724941 /nfs/dbraw/zinc/72/49/41/887724941.db2.gz SPYAFCDBQCSABW-VHSXEESVSA-N 2 2 257.334 -0.652 20 0 CBADLP C[C@H](C(=O)N1CCOC2(C[NH2+]C2)C1)n1cc[nH+]c1 ZINC001333692472 887747442 /nfs/dbraw/zinc/74/74/42/887747442.db2.gz NLLFRTBERDBCCW-SNVBAGLBSA-N 2 2 250.302 -0.355 20 0 CBADLP CC(C)(C)OC(=O)C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001334100663 887865525 /nfs/dbraw/zinc/86/55/25/887865525.db2.gz MLLWTXRTPNKQIG-UHFFFAOYSA-N 2 2 271.361 -0.133 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001447994040 913187801 /nfs/dbraw/zinc/18/78/01/913187801.db2.gz UKHRHLKBPMQWQM-LBPRGKRZSA-N 2 2 295.387 -0.156 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NC[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001447994040 913187813 /nfs/dbraw/zinc/18/78/13/913187813.db2.gz UKHRHLKBPMQWQM-LBPRGKRZSA-N 2 2 295.387 -0.156 20 0 CBADLP C[N@@H+]1CCC[C@H](N2CC[NH+]([C@H]3C[C@H]([NH3+])C[C@@H]3O)CC2)C1 ZINC001334338664 887925391 /nfs/dbraw/zinc/92/53/91/887925391.db2.gz QEVFEMDKDLWSCZ-AJNGGQMLSA-N 3 2 282.432 -0.451 20 0 CBADLP C[N@H+]1CCC[C@H](N2CC[NH+]([C@H]3C[C@H]([NH3+])C[C@@H]3O)CC2)C1 ZINC001334338664 887925394 /nfs/dbraw/zinc/92/53/94/887925394.db2.gz QEVFEMDKDLWSCZ-AJNGGQMLSA-N 3 2 282.432 -0.451 20 0 CBADLP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1nnc2n1CCNC2=O ZINC001334391708 887948888 /nfs/dbraw/zinc/94/88/88/887948888.db2.gz XZDGVRRWNQFBBQ-BDAKNGLRSA-N 2 2 264.333 -0.762 20 0 CBADLP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1nnc2n1CCNC2=O ZINC001334391710 887949407 /nfs/dbraw/zinc/94/94/07/887949407.db2.gz XZDGVRRWNQFBBQ-IUCAKERBSA-N 2 2 264.333 -0.762 20 0 CBADLP C[N@H+](C[C@@H](O)C[NH2+][C@H]1CCCCNC1=O)C1CC1 ZINC001335350388 888511057 /nfs/dbraw/zinc/51/10/57/888511057.db2.gz DVOBEXWDUQDJLN-RYUDHWBXSA-N 2 2 255.362 -0.300 20 0 CBADLP C[N@@H+](C[C@@H](O)C[NH2+][C@H]1CCCCNC1=O)C1CC1 ZINC001335350388 888511064 /nfs/dbraw/zinc/51/10/64/888511064.db2.gz DVOBEXWDUQDJLN-RYUDHWBXSA-N 2 2 255.362 -0.300 20 0 CBADLP COCC[NH+]1CC(CCO)(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001448200106 913252510 /nfs/dbraw/zinc/25/25/10/913252510.db2.gz FRKMZNZNZRSJAT-GFCCVEGCSA-N 2 2 285.388 -0.863 20 0 CBADLP COCC[NH+]1CC(CCO)(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001448200106 913252525 /nfs/dbraw/zinc/25/25/25/913252525.db2.gz FRKMZNZNZRSJAT-GFCCVEGCSA-N 2 2 285.388 -0.863 20 0 CBADLP C[NH+](C)C[C@](C)(O)C[NH2+]C[C@@H](O)C1(O)CCCC1 ZINC001335461257 888538372 /nfs/dbraw/zinc/53/83/72/888538372.db2.gz VEHKETAOFRCAAI-VXGBXAGGSA-N 2 2 260.378 -0.445 20 0 CBADLP O[C@H](C[NH2+][C@H]1Cc2c[nH+]cn2C1)C[C@]1(O)CCOC1 ZINC001335468796 888542685 /nfs/dbraw/zinc/54/26/85/888542685.db2.gz VYAWACGNMJFEPD-WCFLWFBJSA-N 2 2 267.329 -0.700 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC001336117618 888698050 /nfs/dbraw/zinc/69/80/50/888698050.db2.gz SFSXPPQZAIJQET-GFCCVEGCSA-N 3 2 269.393 -0.539 20 0 CBADLP C[C@H](NC(=O)C1([NH+](C)C)CCC1)C1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001448302598 913275236 /nfs/dbraw/zinc/27/52/36/913275236.db2.gz IQFNVPUKUFAJKC-QWRGUYRKSA-N 2 2 296.415 -0.219 20 0 CBADLP C[C@@H](NC(=O)C[NH+]1CCCC1)C1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001448365562 913282298 /nfs/dbraw/zinc/28/22/98/913282298.db2.gz WBAOYPNPWXOBBB-DGCLKSJQSA-N 2 2 294.399 -0.593 20 0 CBADLP COCCOC[C@@H](O)C[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC001336779916 888879338 /nfs/dbraw/zinc/87/93/38/888879338.db2.gz LANOPKOCLPEWIE-OLZOCXBDSA-N 2 2 260.378 -0.058 20 0 CBADLP COCCOC[C@@H](O)C[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC001336779916 888879345 /nfs/dbraw/zinc/87/93/45/888879345.db2.gz LANOPKOCLPEWIE-OLZOCXBDSA-N 2 2 260.378 -0.058 20 0 CBADLP CN1CC[NH+](C[C@@H](O)CNCC(C)(C)[NH+](C)C)CC1 ZINC001336728647 888858482 /nfs/dbraw/zinc/85/84/82/888858482.db2.gz YUBPPIVQEXBZLE-ZDUSSCGKSA-N 2 2 272.437 -0.476 20 0 CBADLP COCCOC[C@H](O)C[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC001336779915 888878449 /nfs/dbraw/zinc/87/84/49/888878449.db2.gz LANOPKOCLPEWIE-CHWSQXEVSA-N 2 2 260.378 -0.058 20 0 CBADLP COCCOC[C@H](O)C[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC001336779915 888878464 /nfs/dbraw/zinc/87/84/64/888878464.db2.gz LANOPKOCLPEWIE-CHWSQXEVSA-N 2 2 260.378 -0.058 20 0 CBADLP COCCOC[C@H](O)C[NH2+][C@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC001336779137 888880995 /nfs/dbraw/zinc/88/09/95/888880995.db2.gz HLLCXWZKVWNZSD-MCIONIFRSA-N 2 2 289.420 -0.766 20 0 CBADLP COCCOC[C@H](O)C[NH2+][C@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC001336779137 888881004 /nfs/dbraw/zinc/88/10/04/888881004.db2.gz HLLCXWZKVWNZSD-MCIONIFRSA-N 2 2 289.420 -0.766 20 0 CBADLP C[NH+](C)CCNC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001336963162 888933832 /nfs/dbraw/zinc/93/38/32/888933832.db2.gz JGJCURKNFPKDSL-UHFFFAOYSA-N 3 2 257.382 -0.730 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)NCC(F)F)CC1 ZINC001336964028 888937425 /nfs/dbraw/zinc/93/74/25/888937425.db2.gz UNGFHGMIBVAQDT-UHFFFAOYSA-N 2 2 250.293 -0.026 20 0 CBADLP COCC[C@@H]([NH3+])C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC001336977214 888939782 /nfs/dbraw/zinc/93/97/82/888939782.db2.gz GUTGXMLJCBXACA-GHMZBOCLSA-N 2 2 254.334 -0.001 20 0 CBADLP Nc1cc(N2CC[NH+](CCCCO)CC2)nc[nH+]1 ZINC001337050074 888952063 /nfs/dbraw/zinc/95/20/63/888952063.db2.gz VOFBSZCJWWSULF-UHFFFAOYSA-N 2 2 251.334 -0.047 20 0 CBADLP C[C@H]([NH2+]CCO)[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CCO1 ZINC001448459928 913301972 /nfs/dbraw/zinc/30/19/72/913301972.db2.gz GDGLAIGPBHHDAB-AAEUAGOBSA-N 2 2 296.371 -0.460 20 0 CBADLP C[C@H]([NH2+]CCO)[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CCO1 ZINC001448459928 913301983 /nfs/dbraw/zinc/30/19/83/913301983.db2.gz GDGLAIGPBHHDAB-AAEUAGOBSA-N 2 2 296.371 -0.460 20 0 CBADLP Cn1c[nH+]cc1CNC(=O)N1CCO[C@H](C[NH3+])C1 ZINC001337992708 889105309 /nfs/dbraw/zinc/10/53/09/889105309.db2.gz KPSJPKUDMIUGPY-SNVBAGLBSA-N 2 2 253.306 -0.711 20 0 CBADLP C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001338188384 889125137 /nfs/dbraw/zinc/12/51/37/889125137.db2.gz WUAXHIRNBIPNRE-BREBYQMCSA-N 2 2 264.329 -0.304 20 0 CBADLP C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001338188384 889125148 /nfs/dbraw/zinc/12/51/48/889125148.db2.gz WUAXHIRNBIPNRE-BREBYQMCSA-N 2 2 264.329 -0.304 20 0 CBADLP C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001338188384 889125157 /nfs/dbraw/zinc/12/51/57/889125157.db2.gz WUAXHIRNBIPNRE-BREBYQMCSA-N 2 2 264.329 -0.304 20 0 CBADLP C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001338188384 889125171 /nfs/dbraw/zinc/12/51/71/889125171.db2.gz WUAXHIRNBIPNRE-BREBYQMCSA-N 2 2 264.329 -0.304 20 0 CBADLP CC(C)[C@@H](CCNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@@H](C)C(N)=O ZINC001448558502 913316975 /nfs/dbraw/zinc/31/69/75/913316975.db2.gz NTAHLNKLNNTUJN-CMPLNLGQSA-N 2 2 295.387 -0.054 20 0 CBADLP C[NH+]1CCC(O)(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001339088157 889240384 /nfs/dbraw/zinc/24/03/84/889240384.db2.gz UITOUOPFUXSGOH-UHFFFAOYSA-N 2 2 252.318 -0.475 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@]12CC[C@H]1C[NH2+]C2 ZINC001340042504 889369048 /nfs/dbraw/zinc/36/90/48/889369048.db2.gz ZOJMFACEWKKMFM-DYEKYZERSA-N 2 2 267.373 -0.177 20 0 CBADLP CC(C)(O)[C@H]([NH3+])C(=O)NCCCCn1cc[nH+]c1 ZINC001340186313 889403962 /nfs/dbraw/zinc/40/39/62/889403962.db2.gz YKSZFGGNQQAHEQ-SNVBAGLBSA-N 2 2 254.334 -0.122 20 0 CBADLP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)NCCCCn1cc[nH+]c1 ZINC001340183684 889405322 /nfs/dbraw/zinc/40/53/22/889405322.db2.gz KKQBMQXWYKYJMZ-VXGBXAGGSA-N 2 2 268.361 -0.004 20 0 CBADLP C[N@@H+]1CCN(C(=O)[C@H]([NH3+])CO)[C@H](c2ccccc2)C1 ZINC001340319726 889422241 /nfs/dbraw/zinc/42/22/41/889422241.db2.gz LVONJJRRYWHYCJ-OLZOCXBDSA-N 2 2 263.341 -0.179 20 0 CBADLP C[N@H+]1CCN(C(=O)[C@H]([NH3+])CO)[C@H](c2ccccc2)C1 ZINC001340319726 889422246 /nfs/dbraw/zinc/42/22/46/889422246.db2.gz LVONJJRRYWHYCJ-OLZOCXBDSA-N 2 2 263.341 -0.179 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2C[C@@H]2C[NH3+])[C@@H](C)CO1 ZINC001340725012 889473103 /nfs/dbraw/zinc/47/31/03/889473103.db2.gz SIPGVZNPAVGUBH-IRCOFANPSA-N 2 2 255.362 -0.193 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2C[C@@H]2C[NH3+])[C@@H](C)CO1 ZINC001340725012 889473109 /nfs/dbraw/zinc/47/31/09/889473109.db2.gz SIPGVZNPAVGUBH-IRCOFANPSA-N 2 2 255.362 -0.193 20 0 CBADLP O=C(C[C@]1(O)CCC[NH2+]C1)NCCCn1cc[nH+]c1 ZINC001340772982 889482535 /nfs/dbraw/zinc/48/25/35/889482535.db2.gz GIOAFUBJTRTNNA-CYBMUJFWSA-N 2 2 266.345 -0.106 20 0 CBADLP [NH3+]CCNCC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC001340808913 889489378 /nfs/dbraw/zinc/48/93/78/889489378.db2.gz PTDGUCBHBFAEJQ-UHFFFAOYSA-N 2 2 265.361 -0.574 20 0 CBADLP Cc1cnn(C)c1C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001340944625 889520141 /nfs/dbraw/zinc/52/01/41/889520141.db2.gz YWHMZECDGOHQOS-UHFFFAOYSA-N 2 2 265.361 -0.119 20 0 CBADLP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001341056724 889535782 /nfs/dbraw/zinc/53/57/82/889535782.db2.gz OKMJDHJHYGYMFV-BTBCPRSTSA-N 3 2 280.416 -0.063 20 0 CBADLP [NH3+][C@@H]1C[C@H](C(=O)NCC[NH+]2CCC([NH3+])CC2)[C@H]2C[C@H]21 ZINC001341055589 889536284 /nfs/dbraw/zinc/53/62/84/889536284.db2.gz BKGUNPIQURAXEQ-QNWHQSFQSA-N 3 2 266.389 -0.491 20 0 CBADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001341056098 889536414 /nfs/dbraw/zinc/53/64/14/889536414.db2.gz GXWPTRMCFMDGJZ-STQMWFEESA-N 3 2 268.405 -0.086 20 0 CBADLP COC[C@H]([NH3+])C(=O)NCCCCC[NH+]1CCNCC1 ZINC001341069862 889538562 /nfs/dbraw/zinc/53/85/62/889538562.db2.gz HCETVZWGWKFBAG-LBPRGKRZSA-N 2 2 272.393 -0.848 20 0 CBADLP C[C@]1(C(=O)N2CC[NH+](C3CC3)CC2)C[C@@H](O)C[NH2+]1 ZINC001341552456 889620254 /nfs/dbraw/zinc/62/02/54/889620254.db2.gz MUCCGQWQVFEEPR-DGCLKSJQSA-N 2 2 253.346 -0.594 20 0 CBADLP [NH3+]CCN1CCC[C@H](C(=O)NCCn2cc[nH+]c2)C1=O ZINC001341630581 889637999 /nfs/dbraw/zinc/63/79/99/889637999.db2.gz SAPGAZRIZKTVCL-LLVKDONJSA-N 2 2 279.344 -0.803 20 0 CBADLP COC[C@H](O)C[NH2+][C@@H](C)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001448753683 913370265 /nfs/dbraw/zinc/37/02/65/913370265.db2.gz TWWUYFOVIVIQDE-WDEREUQCSA-N 2 2 284.360 -0.604 20 0 CBADLP O=C(/C=C/C[NH+]1CCOCC1)N[C@@H]1COC2(C[NH2+]C2)C1 ZINC001342215292 889733445 /nfs/dbraw/zinc/73/34/45/889733445.db2.gz JOKMSOSUZNYRGR-ISUDXETCSA-N 2 2 281.356 -0.878 20 0 CBADLP CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001448781907 913379061 /nfs/dbraw/zinc/37/90/61/913379061.db2.gz JLVRGRTWQCUOBU-SNVBAGLBSA-N 2 2 295.387 -0.167 20 0 CBADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)C[NH2+]CCOC ZINC001342609941 889801536 /nfs/dbraw/zinc/80/15/36/889801536.db2.gz ZZYDXBCKFZPXJZ-GFCCVEGCSA-N 2 2 273.377 -0.551 20 0 CBADLP CO[C@@H](C[NH3+])C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC001342952418 889847853 /nfs/dbraw/zinc/84/78/53/889847853.db2.gz SWZHCUHNRDDQNM-MNOVXSKESA-N 2 2 259.350 -0.861 20 0 CBADLP C[N@H+](C[C@H](O)C[NH+]1CCC2(CC1)NC(=O)NC2=O)C1CC1 ZINC001343484517 889918793 /nfs/dbraw/zinc/91/87/93/889918793.db2.gz UXQWKNUBAQRVED-NSHDSACASA-N 2 2 296.371 -0.885 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH+]1CCC2(CC1)NC(=O)NC2=O)C1CC1 ZINC001343484517 889918799 /nfs/dbraw/zinc/91/87/99/889918799.db2.gz UXQWKNUBAQRVED-NSHDSACASA-N 2 2 296.371 -0.885 20 0 CBADLP C[C@@H](NC(=O)[C@@H]1C[C@@H]1C[NH3+])[C@@H]1CN(C)CC[N@@H+]1C ZINC001343581788 889935123 /nfs/dbraw/zinc/93/51/23/889935123.db2.gz FMADLHMMOUVWQS-KKOKHZNYSA-N 2 2 254.378 -0.668 20 0 CBADLP C[C@@H](NC(=O)[C@@H]1C[C@@H]1C[NH3+])[C@@H]1CN(C)CC[N@H+]1C ZINC001343581788 889935131 /nfs/dbraw/zinc/93/51/31/889935131.db2.gz FMADLHMMOUVWQS-KKOKHZNYSA-N 2 2 254.378 -0.668 20 0 CBADLP C[C@H](C(=O)N1NC(=O)C[C@]12CC[NH2+]C2)n1cc[nH+]c1 ZINC001344437898 890026712 /nfs/dbraw/zinc/02/67/12/890026712.db2.gz QFKCUPCWROUAOZ-SKDRFNHKSA-N 2 2 263.301 -0.560 20 0 CBADLP CN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)Cc1[nH]cc[nH+]1 ZINC001448888635 913443839 /nfs/dbraw/zinc/44/38/39/913443839.db2.gz ZLCTWDPSJIFVCN-LLVKDONJSA-N 2 2 293.371 -0.522 20 0 CBADLP CN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)Cc1[nH]cc[nH+]1 ZINC001448888635 913443853 /nfs/dbraw/zinc/44/38/53/913443853.db2.gz ZLCTWDPSJIFVCN-LLVKDONJSA-N 2 2 293.371 -0.522 20 0 CBADLP COc1cc[nH+]cc1CC(=O)NC[C@H](CO)[NH2+]C[C@@H](C)O ZINC001448889463 913444104 /nfs/dbraw/zinc/44/41/04/913444104.db2.gz WENWSPILVVGSTD-ZYHUDNBSSA-N 2 2 297.355 -0.920 20 0 CBADLP COc1cc[nH+]cc1CC(=O)NC[C@@H](CO)[NH2+]C[C@H](C)O ZINC001448889454 913444766 /nfs/dbraw/zinc/44/47/66/913444766.db2.gz WENWSPILVVGSTD-JQWIXIFHSA-N 2 2 297.355 -0.920 20 0 CBADLP C[C@@H]([NH2+][C@H](CO)CNC(=O)CC[NH+](C)C)c1ncccn1 ZINC001448887635 913444989 /nfs/dbraw/zinc/44/49/89/913444989.db2.gz KEALYDALJJAIRT-NEPJUHHUSA-N 2 2 295.387 -0.444 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@H](CO)[NH2+]CC[C@H]1CCCO1 ZINC001448896245 913447125 /nfs/dbraw/zinc/44/71/25/913447125.db2.gz BHALUDVIGYCATH-QWHCGFSZSA-N 2 2 296.371 -0.412 20 0 CBADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H](CO)[NH2+]CCF ZINC001448911076 913457400 /nfs/dbraw/zinc/45/74/00/913457400.db2.gz VJQXQTHWZFUYMW-GMTAPVOTSA-N 2 2 284.335 -0.440 20 0 CBADLP C[NH+](C)CCN1CCN(c2cc(N)[nH+]cn2)CC1=O ZINC001348225412 890575615 /nfs/dbraw/zinc/57/56/15/890575615.db2.gz QRCTXULIHAZWBD-UHFFFAOYSA-N 2 2 264.333 -0.731 20 0 CBADLP O=C(C[NH+]1CCCC1)NC[C@@H](CO)[NH2+]Cc1cscn1 ZINC001448947534 913466805 /nfs/dbraw/zinc/46/68/05/913466805.db2.gz CCXJUUVGKBWPEE-NSHDSACASA-N 2 2 298.412 -0.194 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@@H](CO)[NH2+]Cc1ccccn1 ZINC001448951707 913471411 /nfs/dbraw/zinc/47/14/11/913471411.db2.gz HXXPYMUYYXFRJF-ZDUSSCGKSA-N 2 2 289.339 -0.455 20 0 CBADLP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@@H]1C ZINC001448971667 913473741 /nfs/dbraw/zinc/47/37/41/913473741.db2.gz JSFBBYFMDCIMMB-VXGBXAGGSA-N 2 2 293.371 -0.402 20 0 CBADLP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@H]1C ZINC001448971662 913474533 /nfs/dbraw/zinc/47/45/33/913474533.db2.gz JSFBBYFMDCIMMB-NWDGAFQWSA-N 2 2 293.371 -0.402 20 0 CBADLP CNC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@@H]1C ZINC001448973043 913475593 /nfs/dbraw/zinc/47/55/93/913475593.db2.gz ATMAQBMLVOLQNH-ZJUUUORDSA-N 2 2 279.344 -0.723 20 0 CBADLP C[N@H+]1[C@@H]2CC[C@H]1CC([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)C2 ZINC001348973478 890741772 /nfs/dbraw/zinc/74/17/72/890741772.db2.gz RPHOOLLLEWIHIW-WTXIUTQJSA-N 3 2 296.459 -0.191 20 0 CBADLP C[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)C2 ZINC001348973478 890741786 /nfs/dbraw/zinc/74/17/86/890741786.db2.gz RPHOOLLLEWIHIW-WTXIUTQJSA-N 3 2 296.459 -0.191 20 0 CBADLP CNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)Cn2cc[nH+]c2)C1 ZINC001449025395 913483272 /nfs/dbraw/zinc/48/32/72/913483272.db2.gz UIAUVJMFQKPNDE-QWRGUYRKSA-N 2 2 279.344 -0.792 20 0 CBADLP Cc1[nH+]c[nH]c1CNC(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C ZINC001349160527 890768955 /nfs/dbraw/zinc/76/89/55/890768955.db2.gz ZYPNCOJQIHOUCX-BXKDBHETSA-N 2 2 263.345 -0.277 20 0 CBADLP Cc1[nH+]c[nH]c1CNC(=O)[C@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001349160527 890768971 /nfs/dbraw/zinc/76/89/71/890768971.db2.gz ZYPNCOJQIHOUCX-BXKDBHETSA-N 2 2 263.345 -0.277 20 0 CBADLP Cn1c[nH+]cc1CNC(=O)NCCCN1CC[NH2+]CC1 ZINC001350214575 890948679 /nfs/dbraw/zinc/94/86/79/890948679.db2.gz OZGASCNOCNVYRK-UHFFFAOYSA-N 2 2 280.376 -0.485 20 0 CBADLP [NH3+]CCCOCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001351283708 891126526 /nfs/dbraw/zinc/12/65/26/891126526.db2.gz LKVKGCGTRZIXAO-LLVKDONJSA-N 2 2 266.345 -0.073 20 0 CBADLP C[C@@H]([NH3+])CN(C)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC001351538878 891151253 /nfs/dbraw/zinc/15/12/53/891151253.db2.gz KUXZOSNGDPCQKE-GHMZBOCLSA-N 2 2 258.366 -0.304 20 0 CBADLP C[C@@H]([NH3+])CN(C)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC001351538878 891151259 /nfs/dbraw/zinc/15/12/59/891151259.db2.gz KUXZOSNGDPCQKE-GHMZBOCLSA-N 2 2 258.366 -0.304 20 0 CBADLP CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001449163531 913527594 /nfs/dbraw/zinc/52/75/94/913527594.db2.gz USZYYTKSNQPQBO-IJLUTSLNSA-N 2 2 280.372 -0.048 20 0 CBADLP CC[NH2+][C@@H](C)C(=O)N1CC[NH2+]C[C@@H]1C(=O)OCC ZINC001352837710 891307086 /nfs/dbraw/zinc/30/70/86/891307086.db2.gz XPRPIVNAEYNRGC-VHSXEESVSA-N 2 2 257.334 -0.652 20 0 CBADLP COCC[C@H]([NH3+])Cc1cn(Cc2[nH+]ccn2C)nn1 ZINC001352982693 891333175 /nfs/dbraw/zinc/33/31/75/891333175.db2.gz DKNMPCGMXWMSDI-JTQLQIEISA-N 2 2 264.333 -0.034 20 0 CBADLP C[C@@H]1CN(C(=O)C(=O)NCCc2cn(C)c[nH+]2)C[C@H]1C[NH3+] ZINC001353120554 891361083 /nfs/dbraw/zinc/36/10/83/891361083.db2.gz CZKCTNMLLFJXNZ-GHMZBOCLSA-N 2 2 293.371 -0.868 20 0 CBADLP C[C@H](CC(=O)N(C)C[C@H](O)C[N@H+](C)CCO)n1cc[nH+]c1 ZINC001449234889 913551565 /nfs/dbraw/zinc/55/15/65/913551565.db2.gz QDZFOMPBEMDZLL-CHWSQXEVSA-N 2 2 298.387 -0.422 20 0 CBADLP C[C@H](CC(=O)N(C)C[C@H](O)C[N@@H+](C)CCO)n1cc[nH+]c1 ZINC001449234889 913551577 /nfs/dbraw/zinc/55/15/77/913551577.db2.gz QDZFOMPBEMDZLL-CHWSQXEVSA-N 2 2 298.387 -0.422 20 0 CBADLP C[NH+](C)CC(C)(C)C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001353266671 891392281 /nfs/dbraw/zinc/39/22/81/891392281.db2.gz LEVGEMUVXQFHBL-CQSZACIVSA-N 3 2 286.464 -0.228 20 0 CBADLP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCn2c[nH+]cc2C1 ZINC001354018579 891498087 /nfs/dbraw/zinc/49/80/87/891498087.db2.gz HPZFKWXRKCVFGM-YPMHNXCESA-N 2 2 264.329 -0.320 20 0 CBADLP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCn2c[nH+]cc2C1 ZINC001354018579 891498093 /nfs/dbraw/zinc/49/80/93/891498093.db2.gz HPZFKWXRKCVFGM-YPMHNXCESA-N 2 2 264.329 -0.320 20 0 CBADLP O=C(/C=C\C[NH+]1CCOCC1)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001355487814 891684008 /nfs/dbraw/zinc/68/40/08/891684008.db2.gz GIAPRKQHXLJUCW-AAQBHCMPSA-N 2 2 265.357 -0.116 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N1CCC(OC2C[NH2+]C2)CC1 ZINC001355903226 891714265 /nfs/dbraw/zinc/71/42/65/891714265.db2.gz FILKYQKGBISRFA-UHFFFAOYSA-N 2 2 264.329 -0.068 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)NCc2cc[nH]n2)CC1 ZINC001356570917 891780813 /nfs/dbraw/zinc/78/08/13/891780813.db2.gz NYRAOGLOUPJSGZ-UHFFFAOYSA-N 2 2 266.349 -0.368 20 0 CBADLP C[C@]1(NC(=O)NCC[NH+]2CCC([NH3+])CC2)CC[NH2+]C1 ZINC001357581595 891918016 /nfs/dbraw/zinc/91/80/16/891918016.db2.gz HMJSGEUMAXZKQY-ZDUSSCGKSA-N 3 2 269.393 -0.539 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)[C@]2(F)CC[NH2+]C2)CC1 ZINC001358120117 891975193 /nfs/dbraw/zinc/97/51/93/891975193.db2.gz VIUYFJIOKFTIMX-LBPRGKRZSA-N 3 2 258.341 -0.773 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C3(O)COC3)C2)CC1 ZINC001362073380 892416741 /nfs/dbraw/zinc/41/67/41/892416741.db2.gz KRECKOVYVMEJKB-LLVKDONJSA-N 2 2 283.372 -0.968 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C3(O)COC3)C2)CC1 ZINC001362073380 892416742 /nfs/dbraw/zinc/41/67/42/892416742.db2.gz KRECKOVYVMEJKB-LLVKDONJSA-N 2 2 283.372 -0.968 20 0 CBADLP C[N@@H+]1CC[C@@H](C(=O)NC2CC[NH+]([C@@H]3CCOC3=O)CC2)C1 ZINC001362319557 892592981 /nfs/dbraw/zinc/59/29/81/892592981.db2.gz MFAPFHKNEKUJDN-DGCLKSJQSA-N 2 2 295.383 -0.166 20 0 CBADLP C[N@H+]1CC[C@@H](C(=O)NC2CC[NH+]([C@@H]3CCOC3=O)CC2)C1 ZINC001362319557 892592995 /nfs/dbraw/zinc/59/29/95/892592995.db2.gz MFAPFHKNEKUJDN-DGCLKSJQSA-N 2 2 295.383 -0.166 20 0 CBADLP C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)Cc1c[nH+]cn1C ZINC001362790349 893035501 /nfs/dbraw/zinc/03/55/01/893035501.db2.gz OJMZHZNYYLXYAS-RYUDHWBXSA-N 2 2 280.372 -0.124 20 0 CBADLP C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)Cc1c[nH+]cn1C ZINC001362790349 893035522 /nfs/dbraw/zinc/03/55/22/893035522.db2.gz OJMZHZNYYLXYAS-RYUDHWBXSA-N 2 2 280.372 -0.124 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC001363325725 893583710 /nfs/dbraw/zinc/58/37/10/893583710.db2.gz PPSYOLCZSPNBMF-ZOBORPQBSA-N 2 2 272.389 -0.372 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC001363325725 893583726 /nfs/dbraw/zinc/58/37/26/893583726.db2.gz PPSYOLCZSPNBMF-ZOBORPQBSA-N 2 2 272.389 -0.372 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC001363325725 893583741 /nfs/dbraw/zinc/58/37/41/893583741.db2.gz PPSYOLCZSPNBMF-ZOBORPQBSA-N 2 2 272.389 -0.372 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC001363325725 893583752 /nfs/dbraw/zinc/58/37/52/893583752.db2.gz PPSYOLCZSPNBMF-ZOBORPQBSA-N 2 2 272.389 -0.372 20 0 CBADLP CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001364652230 894541949 /nfs/dbraw/zinc/54/19/49/894541949.db2.gz RXABFCJEMODGQS-PWSUYJOCSA-N 2 2 293.371 -0.475 20 0 CBADLP CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001364652230 894541960 /nfs/dbraw/zinc/54/19/60/894541960.db2.gz RXABFCJEMODGQS-PWSUYJOCSA-N 2 2 293.371 -0.475 20 0 CBADLP CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001364652230 894541964 /nfs/dbraw/zinc/54/19/64/894541964.db2.gz RXABFCJEMODGQS-PWSUYJOCSA-N 2 2 293.371 -0.475 20 0 CBADLP CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001364652230 894541974 /nfs/dbraw/zinc/54/19/74/894541974.db2.gz RXABFCJEMODGQS-PWSUYJOCSA-N 2 2 293.371 -0.475 20 0 CBADLP C[C@@H](CN1CC[N@H+](CCO)[C@@H](C)C1)C[NH+]1CCOCC1 ZINC001364691496 894567366 /nfs/dbraw/zinc/56/73/66/894567366.db2.gz UGDNTHZGVBQFGX-CABCVRRESA-N 2 2 285.432 -0.047 20 0 CBADLP C[C@@H](CN1CC[N@@H+](CCO)[C@@H](C)C1)C[NH+]1CCOCC1 ZINC001364691496 894567380 /nfs/dbraw/zinc/56/73/80/894567380.db2.gz UGDNTHZGVBQFGX-CABCVRRESA-N 2 2 285.432 -0.047 20 0 CBADLP CC[C@@H](C)[N@@H+](C)CCNS(=O)(=O)N1CC[NH+](C)CC1 ZINC001364767029 894607114 /nfs/dbraw/zinc/60/71/14/894607114.db2.gz LOHBGQOXCNJVCY-GFCCVEGCSA-N 2 2 292.449 -0.202 20 0 CBADLP C[C@H]1CC[N@H+](CCNS(=O)(=O)N2CC[NH+](C)CC2)C1 ZINC001364811373 894630364 /nfs/dbraw/zinc/63/03/64/894630364.db2.gz JRDXPKCAPHPPAU-LBPRGKRZSA-N 2 2 290.433 -0.590 20 0 CBADLP C[C@H]1CC[N@@H+](CCNS(=O)(=O)N2CC[NH+](C)CC2)C1 ZINC001364811373 894630367 /nfs/dbraw/zinc/63/03/67/894630367.db2.gz JRDXPKCAPHPPAU-LBPRGKRZSA-N 2 2 290.433 -0.590 20 0 CBADLP CCc1[nH]c(CNC(=O)[C@H]2C[N@@H+]3CCN2C[C@@H]3C)c[nH+]1 ZINC001364949216 894696406 /nfs/dbraw/zinc/69/64/06/894696406.db2.gz OQPNHHUGKYOXFV-CMPLNLGQSA-N 2 2 277.372 -0.023 20 0 CBADLP CCc1[nH]c(CNC(=O)[C@H]2C[N@H+]3CCN2C[C@@H]3C)c[nH+]1 ZINC001364949216 894696412 /nfs/dbraw/zinc/69/64/12/894696412.db2.gz OQPNHHUGKYOXFV-CMPLNLGQSA-N 2 2 277.372 -0.023 20 0 CBADLP CCc1[nH]cc(CNC(=O)[C@H]2C[N@@H+]3CCN2C[C@@H]3C)[nH+]1 ZINC001364949216 894696417 /nfs/dbraw/zinc/69/64/17/894696417.db2.gz OQPNHHUGKYOXFV-CMPLNLGQSA-N 2 2 277.372 -0.023 20 0 CBADLP CCc1[nH]cc(CNC(=O)[C@H]2C[N@H+]3CCN2C[C@@H]3C)[nH+]1 ZINC001364949216 894696434 /nfs/dbraw/zinc/69/64/34/894696434.db2.gz OQPNHHUGKYOXFV-CMPLNLGQSA-N 2 2 277.372 -0.023 20 0 CBADLP CCCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)CC[NH+](C)C ZINC001365791188 895120898 /nfs/dbraw/zinc/12/08/98/895120898.db2.gz NYCMLCMCAQPPGB-ZDUSSCGKSA-N 2 2 298.431 -0.003 20 0 CBADLP CCCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)CC[NH+](C)C ZINC001365791188 895120908 /nfs/dbraw/zinc/12/09/08/895120908.db2.gz NYCMLCMCAQPPGB-ZDUSSCGKSA-N 2 2 298.431 -0.003 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+]1CC[C@H]1CN(C)C(=O)C[NH+]1CCCC1 ZINC001365801532 895121738 /nfs/dbraw/zinc/12/17/38/895121738.db2.gz HTVMFLGOFOOOOS-QWHCGFSZSA-N 2 2 296.415 -0.121 20 0 CBADLP CC[C@H](C(N)=O)[N@H+]1CC[C@H]1CN(C)C(=O)C[NH+]1CCCC1 ZINC001365801532 895121747 /nfs/dbraw/zinc/12/17/47/895121747.db2.gz HTVMFLGOFOOOOS-QWHCGFSZSA-N 2 2 296.415 -0.121 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001365980998 895162880 /nfs/dbraw/zinc/16/28/80/895162880.db2.gz SAJVXONBDUOQDS-VXGBXAGGSA-N 2 2 296.415 -0.204 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001365980998 895162889 /nfs/dbraw/zinc/16/28/89/895162889.db2.gz SAJVXONBDUOQDS-VXGBXAGGSA-N 2 2 296.415 -0.204 20 0 CBADLP COC[C@H](O)C[N@@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001365998868 895166013 /nfs/dbraw/zinc/16/60/13/895166013.db2.gz MSMHPLQLMHRHAB-NWDGAFQWSA-N 2 2 296.371 -0.542 20 0 CBADLP COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001365998868 895166019 /nfs/dbraw/zinc/16/60/19/895166019.db2.gz MSMHPLQLMHRHAB-NWDGAFQWSA-N 2 2 296.371 -0.542 20 0 CBADLP COC[C@@H](O)C[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001365998867 895166364 /nfs/dbraw/zinc/16/63/64/895166364.db2.gz MSMHPLQLMHRHAB-NEPJUHHUSA-N 2 2 296.371 -0.542 20 0 CBADLP COC[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001365998867 895166371 /nfs/dbraw/zinc/16/63/71/895166371.db2.gz MSMHPLQLMHRHAB-NEPJUHHUSA-N 2 2 296.371 -0.542 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+]([C@@H](C)C(N)=O)C1 ZINC001366006758 895169885 /nfs/dbraw/zinc/16/98/85/895169885.db2.gz VZDCIEJFEUEFNA-QWRGUYRKSA-N 2 2 270.377 -0.609 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[NH+]([C@@H](C)C(N)=O)C1 ZINC001366006758 895169894 /nfs/dbraw/zinc/16/98/94/895169894.db2.gz VZDCIEJFEUEFNA-QWRGUYRKSA-N 2 2 270.377 -0.609 20 0 CBADLP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001366006758 895169902 /nfs/dbraw/zinc/16/99/02/895169902.db2.gz VZDCIEJFEUEFNA-QWRGUYRKSA-N 2 2 270.377 -0.609 20 0 CBADLP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001366006758 895169909 /nfs/dbraw/zinc/16/99/09/895169909.db2.gz VZDCIEJFEUEFNA-QWRGUYRKSA-N 2 2 270.377 -0.609 20 0 CBADLP C[C@H](CC(=O)NC[C@H]([NH2+]CC(N)=O)C1CC1)n1cc[nH+]c1 ZINC001366062766 895182312 /nfs/dbraw/zinc/18/23/12/895182312.db2.gz QFDPFKURGHFLJE-PWSUYJOCSA-N 2 2 293.371 -0.196 20 0 CBADLP O=C(C[NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1)NC1CC1 ZINC001366131425 895202623 /nfs/dbraw/zinc/20/26/23/895202623.db2.gz DMOSTTFMQCZPHD-HAQNSBGRSA-N 2 2 291.355 -0.602 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001366349067 895290148 /nfs/dbraw/zinc/29/01/48/895290148.db2.gz VGBHJUBQIHHHKL-VHSXEESVSA-N 2 2 281.360 -0.809 20 0 CBADLP CC(C)NC(=O)C[NH2+][C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001366347904 895290739 /nfs/dbraw/zinc/29/07/39/895290739.db2.gz VSKQTOFDMSXNIM-JTQLQIEISA-N 2 2 281.360 -0.429 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)[NH2+]Cc1cnnn1C ZINC001366366341 895293878 /nfs/dbraw/zinc/29/38/78/895293878.db2.gz XZONJUGCHRFNQV-SECBINFHSA-N 2 2 291.359 -0.316 20 0 CBADLP CC[C@H](C(=O)NCC[N@H+](C)CC(=O)N(C)C1CC1)[NH+](C)C ZINC001366537420 895362942 /nfs/dbraw/zinc/36/29/42/895362942.db2.gz CEKGMUMTGNMDDO-CYBMUJFWSA-N 2 2 298.431 -0.005 20 0 CBADLP CC[C@H](C(=O)NCC[N@@H+](C)CC(=O)N(C)C1CC1)[NH+](C)C ZINC001366537420 895362958 /nfs/dbraw/zinc/36/29/58/895362958.db2.gz CEKGMUMTGNMDDO-CYBMUJFWSA-N 2 2 298.431 -0.005 20 0 CBADLP C[N@H+](CCNC(=O)C12CCC[NH+](CCC1)C2)CC(N)=O ZINC001366539572 895369401 /nfs/dbraw/zinc/36/94/01/895369401.db2.gz IHTSRACJBCOKQO-UHFFFAOYSA-N 2 2 282.388 -0.604 20 0 CBADLP C[N@@H+](CCNC(=O)C12CCC[NH+](CCC1)C2)CC(N)=O ZINC001366539572 895369414 /nfs/dbraw/zinc/36/94/14/895369414.db2.gz IHTSRACJBCOKQO-UHFFFAOYSA-N 2 2 282.388 -0.604 20 0 CBADLP Cc1[nH+]ccn1CCCC(=O)NCC[N@@H+](C)CC(N)=O ZINC001366582441 895396346 /nfs/dbraw/zinc/39/63/46/895396346.db2.gz VCXZQFZXVOSYER-UHFFFAOYSA-N 2 2 281.360 -0.495 20 0 CBADLP Cc1[nH+]ccn1CCCC(=O)NCC[N@H+](C)CC(N)=O ZINC001366582441 895396363 /nfs/dbraw/zinc/39/63/63/895396363.db2.gz VCXZQFZXVOSYER-UHFFFAOYSA-N 2 2 281.360 -0.495 20 0 CBADLP C[NH+](CC(=O)NCC[N@@H+](C)CC(N)=O)Cc1ccccc1 ZINC001366599227 895400774 /nfs/dbraw/zinc/40/07/74/895400774.db2.gz YFDRULMSDPGFCM-UHFFFAOYSA-N 2 2 292.383 -0.348 20 0 CBADLP C[NH+](CC(=O)NCC[N@H+](C)CC(N)=O)Cc1ccccc1 ZINC001366599227 895400779 /nfs/dbraw/zinc/40/07/79/895400779.db2.gz YFDRULMSDPGFCM-UHFFFAOYSA-N 2 2 292.383 -0.348 20 0 CBADLP C[NH+](CCNC(=O)C[N@H+](C)Cc1ccccc1)CC(N)=O ZINC001366599227 895400782 /nfs/dbraw/zinc/40/07/82/895400782.db2.gz YFDRULMSDPGFCM-UHFFFAOYSA-N 2 2 292.383 -0.348 20 0 CBADLP C[NH+](CCNC(=O)C[N@@H+](C)Cc1ccccc1)CC(N)=O ZINC001366599227 895400785 /nfs/dbraw/zinc/40/07/85/895400785.db2.gz YFDRULMSDPGFCM-UHFFFAOYSA-N 2 2 292.383 -0.348 20 0 CBADLP CC[C@H](C(N)=O)[N@H+](CC)CCNC(=O)Cn1cc[nH+]c1C ZINC001366639910 895417810 /nfs/dbraw/zinc/41/78/10/895417810.db2.gz IRDFARZPFVEPTQ-GFCCVEGCSA-N 2 2 295.387 -0.106 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+](CC)CCNC(=O)Cn1cc[nH+]c1C ZINC001366639910 895417816 /nfs/dbraw/zinc/41/78/16/895417816.db2.gz IRDFARZPFVEPTQ-GFCCVEGCSA-N 2 2 295.387 -0.106 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CC[C@@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001366712656 895441174 /nfs/dbraw/zinc/44/11/74/895441174.db2.gz XBWZSLRHCHQAKO-MNOVXSKESA-N 2 2 293.371 -0.726 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CC[C@@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001366712656 895441179 /nfs/dbraw/zinc/44/11/79/895441179.db2.gz XBWZSLRHCHQAKO-MNOVXSKESA-N 2 2 293.371 -0.726 20 0 CBADLP CN(CC[NH2+][C@H]1CCCNC1=O)C(=O)Cn1cc[nH+]c1 ZINC001366775106 895458306 /nfs/dbraw/zinc/45/83/06/895458306.db2.gz MQXJDABOGBAXGM-NSHDSACASA-N 2 2 279.344 -0.790 20 0 CBADLP C[C@H](C(N)=O)[N@@H+](C)C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001366871684 895472860 /nfs/dbraw/zinc/47/28/60/895472860.db2.gz OZWDPOVGNPYPAO-NEPJUHHUSA-N 2 2 293.371 -0.463 20 0 CBADLP CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001366892688 895475675 /nfs/dbraw/zinc/47/56/75/895475675.db2.gz HQCRDNSAPJXIQP-GFCCVEGCSA-N 2 2 284.404 -0.345 20 0 CBADLP CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001366892688 895475685 /nfs/dbraw/zinc/47/56/85/895475685.db2.gz HQCRDNSAPJXIQP-GFCCVEGCSA-N 2 2 284.404 -0.345 20 0 CBADLP COC[C@@H](O)C[NH+]1CC(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001366937714 895496199 /nfs/dbraw/zinc/49/61/99/895496199.db2.gz APHAAJZSPMKMQQ-YPMHNXCESA-N 2 2 285.388 -0.864 20 0 CBADLP COC[C@@H](O)C[NH+]1CC(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001366937714 895496204 /nfs/dbraw/zinc/49/62/04/895496204.db2.gz APHAAJZSPMKMQQ-YPMHNXCESA-N 2 2 285.388 -0.864 20 0 CBADLP COC[C@@H](C)[NH+]1CC(NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001366948572 895497894 /nfs/dbraw/zinc/49/78/94/895497894.db2.gz KAHGIVDVCOCXOY-CHWSQXEVSA-N 2 2 299.415 -0.210 20 0 CBADLP CCN(C(=O)Cc1c[nH+]cn1C)[C@H]1CC[N@H+](CCO)C1 ZINC001367080067 895553474 /nfs/dbraw/zinc/55/34/74/895553474.db2.gz MUFBETDKNKNXSG-LBPRGKRZSA-N 2 2 280.372 -0.122 20 0 CBADLP CCN(C(=O)Cc1c[nH+]cn1C)[C@H]1CC[N@@H+](CCO)C1 ZINC001367080067 895553483 /nfs/dbraw/zinc/55/34/83/895553483.db2.gz MUFBETDKNKNXSG-LBPRGKRZSA-N 2 2 280.372 -0.122 20 0 CBADLP CC[C@H](CNC(=O)CCn1cc[nH+]c1)[NH2+][C@@H](C)C(N)=O ZINC001367114903 895565292 /nfs/dbraw/zinc/56/52/92/895565292.db2.gz KTCPRJLNCONSRU-WDEREUQCSA-N 2 2 281.360 -0.369 20 0 CBADLP CC[C@H](CNC(=O)CCn1cc[nH+]c1)[NH2+][C@H](C)C(N)=O ZINC001367114891 895565531 /nfs/dbraw/zinc/56/55/31/895565531.db2.gz KTCPRJLNCONSRU-GHMZBOCLSA-N 2 2 281.360 -0.369 20 0 CBADLP CC[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CC(=O)N1CCC1 ZINC001367125438 895572030 /nfs/dbraw/zinc/57/20/30/895572030.db2.gz LPESJLNULINKLH-NSHDSACASA-N 2 2 293.371 -0.331 20 0 CBADLP CC(C)[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@@H](C)C(N)=O ZINC001367488161 895642181 /nfs/dbraw/zinc/64/21/81/895642181.db2.gz WWMUTLAJUGAXCL-GXSJLCMTSA-N 2 2 281.360 -0.444 20 0 CBADLP CC(C)[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001367603097 895694666 /nfs/dbraw/zinc/69/46/66/895694666.db2.gz TYMGXSDGQPBBIU-DGCLKSJQSA-N 2 2 280.372 -0.079 20 0 CBADLP CC(C)[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001367603101 895694753 /nfs/dbraw/zinc/69/47/53/895694753.db2.gz TYMGXSDGQPBBIU-YPMHNXCESA-N 2 2 280.372 -0.079 20 0 CBADLP CC[C@H](F)C[NH2+]C[C@@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001367610221 895700136 /nfs/dbraw/zinc/70/01/36/895700136.db2.gz JKJYXUQZCVADSW-GXSJLCMTSA-N 2 2 272.324 -0.233 20 0 CBADLP CC[C@@H](F)C[NH2+]C[C@@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001367610226 895702152 /nfs/dbraw/zinc/70/21/52/895702152.db2.gz JKJYXUQZCVADSW-MWLCHTKSSA-N 2 2 272.324 -0.233 20 0 CBADLP COC[C@H](C)[NH2+]C[C@@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001367609468 895702959 /nfs/dbraw/zinc/70/29/59/895702959.db2.gz HFEKNNIILQGNBX-GXSJLCMTSA-N 2 2 270.333 -0.946 20 0 CBADLP CC[C@H]([NH2+]CC[C@H](C)NC(=O)Cc1[nH]cc[nH+]1)C(N)=O ZINC001367633578 895718223 /nfs/dbraw/zinc/71/82/23/895718223.db2.gz DLWATNXCLGPOGS-UWVGGRQHSA-N 2 2 281.360 -0.300 20 0 CBADLP CC[C@@H]([NH2+]CC[C@H](C)NC(=O)Cc1[nH]cc[nH+]1)C(N)=O ZINC001367633581 895718727 /nfs/dbraw/zinc/71/87/27/895718727.db2.gz DLWATNXCLGPOGS-VHSXEESVSA-N 2 2 281.360 -0.300 20 0 CBADLP CC[C@@H]([NH2+]CCN(CC)C(=O)Cc1c[nH+]cn1C)C(N)=O ZINC001367691077 895750420 /nfs/dbraw/zinc/75/04/20/895750420.db2.gz POPKFBFQUFYHBN-GFCCVEGCSA-N 2 2 295.387 -0.335 20 0 CBADLP CC(C)N(C)C(=O)C[NH2+]C[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001367703543 895752797 /nfs/dbraw/zinc/75/27/97/895752797.db2.gz HMDBPAYLDRALLD-LLVKDONJSA-N 2 2 295.387 -0.087 20 0 CBADLP C[C@H](C[NH2+]CC(=O)N(C)C)NC(=O)CCc1c[nH+]cn1C ZINC001367708018 895762135 /nfs/dbraw/zinc/76/21/35/895762135.db2.gz SOHIGVIONZXNRN-LLVKDONJSA-N 2 2 295.387 -0.465 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+](C)C[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001367820921 895823913 /nfs/dbraw/zinc/82/39/13/895823913.db2.gz OMYULBNUWWYIKS-RYUDHWBXSA-N 2 2 295.387 -0.026 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+](C)C[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001367820921 895823922 /nfs/dbraw/zinc/82/39/22/895823922.db2.gz OMYULBNUWWYIKS-RYUDHWBXSA-N 2 2 295.387 -0.026 20 0 CBADLP COC[C@H](O)C[N@H+](C)C[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001367846902 895828592 /nfs/dbraw/zinc/82/85/92/895828592.db2.gz GDAALFACCOPOSV-ZYHUDNBSSA-N 2 2 298.387 -0.296 20 0 CBADLP COC[C@H](O)C[N@@H+](C)C[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001367846902 895828598 /nfs/dbraw/zinc/82/85/98/895828598.db2.gz GDAALFACCOPOSV-ZYHUDNBSSA-N 2 2 298.387 -0.296 20 0 CBADLP NC(=O)C[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001367858344 895834047 /nfs/dbraw/zinc/83/40/47/895834047.db2.gz CNMXADIUULFJFP-JQWIXIFHSA-N 2 2 293.371 -0.298 20 0 CBADLP COC[C@H](O)C[N@@H+]1CC[C@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001367950545 895864141 /nfs/dbraw/zinc/86/41/41/895864141.db2.gz JHVINGRVJIVQQV-QWHCGFSZSA-N 2 2 296.371 -0.611 20 0 CBADLP COC[C@H](O)C[N@H+]1CC[C@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001367950545 895864154 /nfs/dbraw/zinc/86/41/54/895864154.db2.gz JHVINGRVJIVQQV-QWHCGFSZSA-N 2 2 296.371 -0.611 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NC[C@H]1CC[NH+]1CC(=O)N(C)C ZINC001367975485 895878199 /nfs/dbraw/zinc/87/81/99/895878199.db2.gz HHYYXEPGOMARTF-GFCCVEGCSA-N 2 2 284.404 -0.395 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NC[C@H]1CC[NH+]1CC(=O)N(C)C ZINC001367975485 895878206 /nfs/dbraw/zinc/87/82/06/895878206.db2.gz HHYYXEPGOMARTF-GFCCVEGCSA-N 2 2 284.404 -0.395 20 0 CBADLP CC(C)[NH+](C)CC(=O)NC[C@H]1CC[N@@H+]1CC(=O)N(C)C ZINC001367975485 895878214 /nfs/dbraw/zinc/87/82/14/895878214.db2.gz HHYYXEPGOMARTF-GFCCVEGCSA-N 2 2 284.404 -0.395 20 0 CBADLP CC(C)[NH+](C)CC(=O)NC[C@H]1CC[N@H+]1CC(=O)N(C)C ZINC001367975485 895878220 /nfs/dbraw/zinc/87/82/20/895878220.db2.gz HHYYXEPGOMARTF-GFCCVEGCSA-N 2 2 284.404 -0.395 20 0 CBADLP CN(C)C(=O)C[N@@H+]1CC[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001367988833 895880244 /nfs/dbraw/zinc/88/02/44/895880244.db2.gz WUBIPNBPXUWZMT-STQMWFEESA-N 2 2 296.415 -0.393 20 0 CBADLP CN(C)C(=O)C[N@H+]1CC[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001367988833 895880254 /nfs/dbraw/zinc/88/02/54/895880254.db2.gz WUBIPNBPXUWZMT-STQMWFEESA-N 2 2 296.415 -0.393 20 0 CBADLP CN(C)C(=O)C[NH+]1CC[C@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001367988833 895880262 /nfs/dbraw/zinc/88/02/62/895880262.db2.gz WUBIPNBPXUWZMT-STQMWFEESA-N 2 2 296.415 -0.393 20 0 CBADLP CN(C)C(=O)C[NH+]1CC[C@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001367988833 895880271 /nfs/dbraw/zinc/88/02/71/895880271.db2.gz WUBIPNBPXUWZMT-STQMWFEESA-N 2 2 296.415 -0.393 20 0 CBADLP CCCNC(=O)C[NH2+]C1(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001368018088 895892405 /nfs/dbraw/zinc/89/24/05/895892405.db2.gz BCHVKUKRVUHKCO-UHFFFAOYSA-N 2 2 293.371 -0.283 20 0 CBADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C[NH2+]CC(N)=O ZINC001368351717 895987482 /nfs/dbraw/zinc/98/74/82/895987482.db2.gz MRGIZENKMVFYPW-ZJUUUORDSA-N 2 2 279.344 -0.878 20 0 CBADLP NC(=O)C[NH2+]C1(CNC(=O)CCn2cc[nH+]c2)CCC1 ZINC001368482394 896018400 /nfs/dbraw/zinc/01/84/00/896018400.db2.gz CTFCVLHEOBBNDL-UHFFFAOYSA-N 2 2 279.344 -0.613 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001368500346 896024117 /nfs/dbraw/zinc/02/41/17/896024117.db2.gz BQXSYPVORRWPGY-GARJFASQSA-N 2 2 293.371 -0.429 20 0 CBADLP CC(C)[C@H](C(=O)N[C@H]1COC2(C[NH+](CCO)C2)C1)[NH+](C)C ZINC001368604682 896044908 /nfs/dbraw/zinc/04/49/08/896044908.db2.gz XUZXDUFZAVUVCB-CHWSQXEVSA-N 2 2 299.415 -0.476 20 0 CBADLP CO[C@@H](C)C[NH+]1CC2(C1)C[C@H](NC(=O)CC[NH+](C)C)CO2 ZINC001368596738 896045195 /nfs/dbraw/zinc/04/51/95/896045195.db2.gz MHYYSBZTGOCZBC-STQMWFEESA-N 2 2 299.415 -0.068 20 0 CBADLP CC(C)[C@H](C(=O)N[C@@H]1COC2(C[NH+](CCO)C2)C1)[NH+](C)C ZINC001368604683 896045310 /nfs/dbraw/zinc/04/53/10/896045310.db2.gz XUZXDUFZAVUVCB-QWHCGFSZSA-N 2 2 299.415 -0.476 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC(C)([NH2+]CC(N)=O)CC1 ZINC001368662696 896054733 /nfs/dbraw/zinc/05/47/33/896054733.db2.gz HTPCQOMVIBTXLD-UHFFFAOYSA-N 2 2 293.371 -0.283 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]CC1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001368821558 896092733 /nfs/dbraw/zinc/09/27/33/896092733.db2.gz FCUFIQVRWZTLBD-KPPDAEKUSA-N 2 2 293.371 -0.429 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]CC1CC(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001368821220 896094057 /nfs/dbraw/zinc/09/40/57/896094057.db2.gz UHAYOCGGUOYWCM-WHXUTIOJSA-N 2 2 293.371 -0.429 20 0 CBADLP CNC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001368896720 896106580 /nfs/dbraw/zinc/10/65/80/896106580.db2.gz AQHGLMOSHVTGJY-NWDGAFQWSA-N 2 2 295.387 -0.108 20 0 CBADLP CNC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001368896852 896107555 /nfs/dbraw/zinc/10/75/55/896107555.db2.gz MDYDPMWPPDTHHX-UWVGGRQHSA-N 2 2 281.360 -0.809 20 0 CBADLP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[N@H+](C)CC(N)=O ZINC001368977728 896127976 /nfs/dbraw/zinc/12/79/76/896127976.db2.gz BFKDBTZMYVBMED-NSHDSACASA-N 2 2 284.404 -0.217 20 0 CBADLP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[N@@H+](C)CC(N)=O ZINC001368977728 896127982 /nfs/dbraw/zinc/12/79/82/896127982.db2.gz BFKDBTZMYVBMED-NSHDSACASA-N 2 2 284.404 -0.217 20 0 CBADLP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CC(N)=O)CC1(C)C)[NH+](C)C ZINC001369110195 896153631 /nfs/dbraw/zinc/15/36/31/896153631.db2.gz DDSRNTMBGMROFS-DGCLKSJQSA-N 2 2 298.431 -0.116 20 0 CBADLP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CC(N)=O)CC1(C)C)[NH+](C)C ZINC001369110195 896153634 /nfs/dbraw/zinc/15/36/34/896153634.db2.gz DDSRNTMBGMROFS-DGCLKSJQSA-N 2 2 298.431 -0.116 20 0 CBADLP COCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001369142495 896158930 /nfs/dbraw/zinc/15/89/30/896158930.db2.gz WCNVFLIBDSFQJW-CNDDSTCGSA-N 2 2 278.356 -0.107 20 0 CBADLP COCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001369142495 896158941 /nfs/dbraw/zinc/15/89/41/896158941.db2.gz WCNVFLIBDSFQJW-CNDDSTCGSA-N 2 2 278.356 -0.107 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC001369135424 896159327 /nfs/dbraw/zinc/15/93/27/896159327.db2.gz BSVALJYMVOOFDC-CNDDSTCGSA-N 2 2 278.356 -0.371 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC001369135424 896159338 /nfs/dbraw/zinc/15/93/38/896159338.db2.gz BSVALJYMVOOFDC-CNDDSTCGSA-N 2 2 278.356 -0.371 20 0 CBADLP C[NH+](C)CCC(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3cnon3)C[C@H]21 ZINC001369130255 896160260 /nfs/dbraw/zinc/16/02/60/896160260.db2.gz OQSLUBXNNDDYEJ-XYYAHUGASA-N 2 2 293.371 -0.185 20 0 CBADLP C[NH+](C)CCC(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3cnon3)C[C@H]21 ZINC001369130255 896160266 /nfs/dbraw/zinc/16/02/66/896160266.db2.gz OQSLUBXNNDDYEJ-XYYAHUGASA-N 2 2 293.371 -0.185 20 0 CBADLP CC[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1)C(N)=O ZINC001369187981 896168156 /nfs/dbraw/zinc/16/81/56/896168156.db2.gz ZTDVDCFUGPMCHV-SRVKXCTJSA-N 2 2 293.371 -0.369 20 0 CBADLP CNC(=O)C[NH2+][C@H](C)CN(C)C(=O)CCc1[nH+]ccn1C ZINC001369263464 896185246 /nfs/dbraw/zinc/18/52/46/896185246.db2.gz HIAOAYAVDGSFEX-LLVKDONJSA-N 2 2 295.387 -0.465 20 0 CBADLP CC[C@H](C(=O)NC[C@H](CO)[NH2+]Cc1nocc1C)[NH+](C)C ZINC001369374079 896248703 /nfs/dbraw/zinc/24/87/03/896248703.db2.gz ASHNGJAQNYIFEK-DGCLKSJQSA-N 2 2 298.387 -0.110 20 0 CBADLP Cn1ccc(C[NH2+][C@@H](CO)CNC(=O)C[NH+]2CCCC2)n1 ZINC001369385669 896250929 /nfs/dbraw/zinc/25/09/29/896250929.db2.gz RPJRRINXQMKOFE-CYBMUJFWSA-N 2 2 295.387 -0.917 20 0 CBADLP CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@@H]1C ZINC001369401313 896259753 /nfs/dbraw/zinc/25/97/53/896259753.db2.gz IQCPYPSLRABMDX-VXGBXAGGSA-N 2 2 293.371 -0.402 20 0 CBADLP COC[C@H](C)[NH2+]C[C@H](O)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001369477141 896285325 /nfs/dbraw/zinc/28/53/25/896285325.db2.gz DTVDMBZJAZZVJM-AAEUAGOBSA-N 2 2 298.387 -0.594 20 0 CBADLP CN(C[C@@H](O)C[NH2+]C[C@@H]1CCOC1)C(=O)Cc1c[nH+]c[nH]1 ZINC001369469640 896287094 /nfs/dbraw/zinc/28/70/94/896287094.db2.gz GRSAPKXLUMEFNC-AAEUAGOBSA-N 2 2 296.371 -0.602 20 0 CBADLP CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001369506798 896299185 /nfs/dbraw/zinc/29/91/85/896299185.db2.gz KJKCIEMVRRONSG-IJLUTSLNSA-N 2 2 296.371 -0.743 20 0 CBADLP CN(C[C@H](O)C[N@H+](C)CCO)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001369506798 896299143 /nfs/dbraw/zinc/29/91/43/896299143.db2.gz KJKCIEMVRRONSG-IJLUTSLNSA-N 2 2 296.371 -0.743 20 0 CBADLP CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001369506798 896299159 /nfs/dbraw/zinc/29/91/59/896299159.db2.gz KJKCIEMVRRONSG-IJLUTSLNSA-N 2 2 296.371 -0.743 20 0 CBADLP CN(C[C@H](O)C[N@H+](C)CCO)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001369506798 896299171 /nfs/dbraw/zinc/29/91/71/896299171.db2.gz KJKCIEMVRRONSG-IJLUTSLNSA-N 2 2 296.371 -0.743 20 0 CBADLP CC(C)N(CC[N@H+](C)CC(N)=O)C(=O)CC[NH+](C)C ZINC001369524908 896314554 /nfs/dbraw/zinc/31/45/54/896314554.db2.gz MJAOGNFCRSBITM-UHFFFAOYSA-N 2 2 272.393 -0.408 20 0 CBADLP CC(C)N(CC[N@@H+](C)CC(N)=O)C(=O)CC[NH+](C)C ZINC001369524908 896314564 /nfs/dbraw/zinc/31/45/64/896314564.db2.gz MJAOGNFCRSBITM-UHFFFAOYSA-N 2 2 272.393 -0.408 20 0 CBADLP CC[C@H](C(=O)N[C@H]1CCC[N@H+](CC(=O)NC)C1)[NH+](C)C ZINC001369842572 896348051 /nfs/dbraw/zinc/34/80/51/896348051.db2.gz BJEYBQPFBLTWNF-NWDGAFQWSA-N 2 2 284.404 -0.347 20 0 CBADLP CC[C@H](C(=O)N[C@H]1CCC[N@@H+](CC(=O)NC)C1)[NH+](C)C ZINC001369842572 896348058 /nfs/dbraw/zinc/34/80/58/896348058.db2.gz BJEYBQPFBLTWNF-NWDGAFQWSA-N 2 2 284.404 -0.347 20 0 CBADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)N(C)C(=O)CC[NH+](C)C ZINC001369966987 896377133 /nfs/dbraw/zinc/37/71/33/896377133.db2.gz SSFRRBKEIQIYMX-LLVKDONJSA-N 2 2 295.387 -0.133 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@H](CNC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001370251503 896413559 /nfs/dbraw/zinc/41/35/59/896413559.db2.gz BVNGRGJDTFOGTN-GXSJLCMTSA-N 2 2 293.371 -0.429 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)NC[C@H]([NH2+]CCO)C1CC1 ZINC001370265042 896413760 /nfs/dbraw/zinc/41/37/60/896413760.db2.gz PAUCUXHIVPYFSO-ZDUSSCGKSA-N 2 2 280.372 -0.171 20 0 CBADLP CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001370481521 896438105 /nfs/dbraw/zinc/43/81/05/896438105.db2.gz DELVJIRNTQUQSC-GWOFURMSSA-N 2 2 291.355 -0.504 20 0 CBADLP CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001370481521 896438115 /nfs/dbraw/zinc/43/81/15/896438115.db2.gz DELVJIRNTQUQSC-GWOFURMSSA-N 2 2 291.355 -0.504 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cn1nccc1N ZINC001453157251 914073300 /nfs/dbraw/zinc/07/33/00/914073300.db2.gz AYQGGMYOLHUOOV-UHFFFAOYSA-N 2 2 282.392 -0.535 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cn1nccc1N ZINC001453157251 914073319 /nfs/dbraw/zinc/07/33/19/914073319.db2.gz AYQGGMYOLHUOOV-UHFFFAOYSA-N 2 2 282.392 -0.535 20 0 CBADLP CCN(C)C(=O)C[NH2+][C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001371386875 896603281 /nfs/dbraw/zinc/60/32/81/896603281.db2.gz FYPBTTGBBKSRLC-JTQLQIEISA-N 2 2 281.360 -0.475 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC001371445621 896612797 /nfs/dbraw/zinc/61/27/97/896612797.db2.gz SNQQGOMHIPFVMZ-WDEREUQCSA-N 2 2 295.387 -0.419 20 0 CBADLP COC[C@H](O)C[NH2+]C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001371610069 896642457 /nfs/dbraw/zinc/64/24/57/896642457.db2.gz DFRSYSDMZFKRCR-VXGBXAGGSA-N 2 2 296.371 -0.602 20 0 CBADLP CC[C@@H]([NH2+]C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1)C(N)=O ZINC001371615316 896644672 /nfs/dbraw/zinc/64/46/72/896644672.db2.gz LBMGNDIQBUNDMJ-GHMZBOCLSA-N 2 2 293.371 -0.346 20 0 CBADLP C[C@H](CCNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]Cc1ccon1 ZINC001371729196 896653420 /nfs/dbraw/zinc/65/34/20/896653420.db2.gz PTSFENSVYBVLQD-DGCLKSJQSA-N 2 2 296.371 -0.010 20 0 CBADLP C[C@H](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]Cc1ccon1 ZINC001371729196 896653424 /nfs/dbraw/zinc/65/34/24/896653424.db2.gz PTSFENSVYBVLQD-DGCLKSJQSA-N 2 2 296.371 -0.010 20 0 CBADLP C[C@H](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]Cc1ccon1 ZINC001371729198 896655157 /nfs/dbraw/zinc/65/51/57/896655157.db2.gz PTSFENSVYBVLQD-YPMHNXCESA-N 2 2 296.371 -0.010 20 0 CBADLP C[C@H](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]Cc1ccon1 ZINC001371729198 896655164 /nfs/dbraw/zinc/65/51/64/896655164.db2.gz PTSFENSVYBVLQD-YPMHNXCESA-N 2 2 296.371 -0.010 20 0 CBADLP C[C@@H](CCNC(=O)[C@H]1CCn2c[nH+]cc2C1)[NH2+]CC(N)=O ZINC001371784162 896660935 /nfs/dbraw/zinc/66/09/35/896660935.db2.gz VLHQRHUZVQOVAN-QWRGUYRKSA-N 2 2 293.371 -0.585 20 0 CBADLP CC(C)NC(=O)C[NH2+][C@@H](C)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001371857739 896670813 /nfs/dbraw/zinc/67/08/13/896670813.db2.gz BYHRVTIWLJCMJU-NSHDSACASA-N 2 2 295.387 -0.039 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@@H](C)CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001371883466 896673489 /nfs/dbraw/zinc/67/34/89/896673489.db2.gz RKIHCFIBXPVIPZ-ONGXEEELSA-N 2 2 295.387 -0.120 20 0 CBADLP CC[C@H](C(=O)NCC[N@@H+](C)CC(=O)N(C)C)[NH+](C)C ZINC001372010785 896704454 /nfs/dbraw/zinc/70/44/54/896704454.db2.gz ZEFYXPDWJBBQCN-LLVKDONJSA-N 2 2 272.393 -0.537 20 0 CBADLP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)CC(=O)NC ZINC001371997736 896702342 /nfs/dbraw/zinc/70/23/42/896702342.db2.gz RRQDXSBZAWPGFW-LBPRGKRZSA-N 2 2 284.404 -0.345 20 0 CBADLP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CC(=O)NC ZINC001371997736 896702321 /nfs/dbraw/zinc/70/23/21/896702321.db2.gz RRQDXSBZAWPGFW-LBPRGKRZSA-N 2 2 284.404 -0.345 20 0 CBADLP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CC(=O)NC ZINC001371997736 896702333 /nfs/dbraw/zinc/70/23/33/896702333.db2.gz RRQDXSBZAWPGFW-LBPRGKRZSA-N 2 2 284.404 -0.345 20 0 CBADLP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)CC(=O)NC ZINC001371997736 896702352 /nfs/dbraw/zinc/70/23/52/896702352.db2.gz RRQDXSBZAWPGFW-LBPRGKRZSA-N 2 2 284.404 -0.345 20 0 CBADLP CC[C@H](C(=O)NCC[N@H+](C)CC(=O)N(C)C)[NH+](C)C ZINC001372010785 896704444 /nfs/dbraw/zinc/70/44/44/896704444.db2.gz ZEFYXPDWJBBQCN-LLVKDONJSA-N 2 2 272.393 -0.537 20 0 CBADLP C[N@H+](CCNC(=O)CC[C@@H]1CCC[NH+]1C)CC(N)=O ZINC001371999917 896705728 /nfs/dbraw/zinc/70/57/28/896705728.db2.gz NHVWIGVTRGNWCI-NSHDSACASA-N 2 2 270.377 -0.606 20 0 CBADLP C[N@@H+](CCNC(=O)CC[C@@H]1CCC[NH+]1C)CC(N)=O ZINC001371999917 896705737 /nfs/dbraw/zinc/70/57/37/896705737.db2.gz NHVWIGVTRGNWCI-NSHDSACASA-N 2 2 270.377 -0.606 20 0 CBADLP C[NH+](CCNC(=O)CC[C@@H]1CCC[N@@H+]1C)CC(N)=O ZINC001371999917 896705745 /nfs/dbraw/zinc/70/57/45/896705745.db2.gz NHVWIGVTRGNWCI-NSHDSACASA-N 2 2 270.377 -0.606 20 0 CBADLP C[NH+](CCNC(=O)CC[C@@H]1CCC[N@H+]1C)CC(N)=O ZINC001371999917 896705753 /nfs/dbraw/zinc/70/57/53/896705753.db2.gz NHVWIGVTRGNWCI-NSHDSACASA-N 2 2 270.377 -0.606 20 0 CBADLP CCCNC(=O)C[N@H+](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001372183942 896745597 /nfs/dbraw/zinc/74/55/97/896745597.db2.gz PIBZCAMZAIZNAI-UHFFFAOYSA-N 2 2 296.415 -0.344 20 0 CBADLP CCCNC(=O)C[N@@H+](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001372183942 896745608 /nfs/dbraw/zinc/74/56/08/896745608.db2.gz PIBZCAMZAIZNAI-UHFFFAOYSA-N 2 2 296.415 -0.344 20 0 CBADLP C[NH+](C)CC1(C(=O)NC[C@@H]2CCC[N@@H+]2CC(N)=O)CC1 ZINC001372539962 896802212 /nfs/dbraw/zinc/80/22/12/896802212.db2.gz CYHMMJMCYHNAMB-NSHDSACASA-N 2 2 282.388 -0.606 20 0 CBADLP C[NH+](C)CC1(C(=O)NC[C@@H]2CCC[N@H+]2CC(N)=O)CC1 ZINC001372539962 896802223 /nfs/dbraw/zinc/80/22/23/896802223.db2.gz CYHMMJMCYHNAMB-NSHDSACASA-N 2 2 282.388 -0.606 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)NC(=O)Cn1cc[nH+]c1 ZINC001372809968 896874570 /nfs/dbraw/zinc/87/45/70/896874570.db2.gz FZBUXGQNCMYRAZ-RYUDHWBXSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)NC(=O)Cn1cc[nH+]c1 ZINC001372809968 896874588 /nfs/dbraw/zinc/87/45/88/896874588.db2.gz FZBUXGQNCMYRAZ-RYUDHWBXSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001373118105 896945789 /nfs/dbraw/zinc/94/57/89/896945789.db2.gz NPNNNVWCKJVZRN-GHMZBOCLSA-N 2 2 293.371 -0.475 20 0 CBADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001373118105 896945799 /nfs/dbraw/zinc/94/57/99/896945799.db2.gz NPNNNVWCKJVZRN-GHMZBOCLSA-N 2 2 293.371 -0.475 20 0 CBADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001373118136 896945931 /nfs/dbraw/zinc/94/59/31/896945931.db2.gz NPNNNVWCKJVZRN-QWRGUYRKSA-N 2 2 293.371 -0.475 20 0 CBADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001373118136 896945942 /nfs/dbraw/zinc/94/59/42/896945942.db2.gz NPNNNVWCKJVZRN-QWRGUYRKSA-N 2 2 293.371 -0.475 20 0 CBADLP C[N@@H+](CC(N)=O)C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001373299161 896968753 /nfs/dbraw/zinc/96/87/53/896968753.db2.gz KYOJDEWOPFLTJX-SNVBAGLBSA-N 2 2 279.344 -0.782 20 0 CBADLP C[N@H+](CC(N)=O)C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001373299161 896968769 /nfs/dbraw/zinc/96/87/69/896968769.db2.gz KYOJDEWOPFLTJX-SNVBAGLBSA-N 2 2 279.344 -0.782 20 0 CBADLP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[NH+]([C@@H](C)C(N)=O)C1 ZINC001373385783 896990608 /nfs/dbraw/zinc/99/06/08/896990608.db2.gz WUMYZAKDZIKTDY-NWDGAFQWSA-N 2 2 284.404 -0.217 20 0 CBADLP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[NH+]([C@@H](C)C(N)=O)C1 ZINC001373385783 896990616 /nfs/dbraw/zinc/99/06/16/896990616.db2.gz WUMYZAKDZIKTDY-NWDGAFQWSA-N 2 2 284.404 -0.217 20 0 CBADLP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001373385783 896990626 /nfs/dbraw/zinc/99/06/26/896990626.db2.gz WUMYZAKDZIKTDY-NWDGAFQWSA-N 2 2 284.404 -0.217 20 0 CBADLP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001373385783 896990634 /nfs/dbraw/zinc/99/06/34/896990634.db2.gz WUMYZAKDZIKTDY-NWDGAFQWSA-N 2 2 284.404 -0.217 20 0 CBADLP CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001373385661 896991933 /nfs/dbraw/zinc/99/19/33/896991933.db2.gz REKLKWVIZADEML-OCCSQVGLSA-N 2 2 298.431 -0.101 20 0 CBADLP CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001373385661 896991940 /nfs/dbraw/zinc/99/19/40/896991940.db2.gz REKLKWVIZADEML-OCCSQVGLSA-N 2 2 298.431 -0.101 20 0 CBADLP CC[C@H](C(N)=O)[NH+]1CC(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001373552707 897050190 /nfs/dbraw/zinc/05/01/90/897050190.db2.gz PLELNXPQALQSKS-GFCCVEGCSA-N 2 2 293.371 -0.497 20 0 CBADLP CC[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@@H](CC)C(N)=O ZINC001373813941 897126829 /nfs/dbraw/zinc/12/68/29/897126829.db2.gz YNYRJMMCCITNPF-UWVGGRQHSA-N 2 2 281.360 -0.300 20 0 CBADLP CC[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CC(=O)NC(C)C ZINC001373812071 897127590 /nfs/dbraw/zinc/12/75/90/897127590.db2.gz QLIVBDURGXCFEX-NSHDSACASA-N 2 2 295.387 -0.039 20 0 CBADLP CC[C@H](CNC(=O)Cc1[nH]c[nH+]c1C)[NH2+]CC(=O)N(C)C ZINC001373821999 897131633 /nfs/dbraw/zinc/13/16/33/897131633.db2.gz KQMXWEKOAGMLQU-LLVKDONJSA-N 2 2 295.387 -0.167 20 0 CBADLP C[C@@H]([NH2+]C[C@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1)C(N)=O ZINC001373961269 897141235 /nfs/dbraw/zinc/14/12/35/897141235.db2.gz XWMKFLRJENAKKH-ZYHUDNBSSA-N 2 2 293.371 -0.203 20 0 CBADLP C[C@@H]([NH2+]C[C@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1)C(N)=O ZINC001373961269 897141239 /nfs/dbraw/zinc/14/12/39/897141239.db2.gz XWMKFLRJENAKKH-ZYHUDNBSSA-N 2 2 293.371 -0.203 20 0 CBADLP C[C@H]([NH2+]C[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1)C(N)=O ZINC001373964750 897143894 /nfs/dbraw/zinc/14/38/94/897143894.db2.gz GEMAMMPHHSAGEI-GXSJLCMTSA-N 2 2 279.344 -0.593 20 0 CBADLP C[C@@H](CNC(=O)CCn1cc[nH+]c1)C[NH2+][C@H]1CCNC1=O ZINC001374048894 897162202 /nfs/dbraw/zinc/16/22/02/897162202.db2.gz FQQKJLIRGFQTAM-NEPJUHHUSA-N 2 2 293.371 -0.496 20 0 CBADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)C[NH2+][C@H]1CCN(C)C1=O ZINC001374089100 897167458 /nfs/dbraw/zinc/16/74/58/897167458.db2.gz CMBZZVXLNPHNFA-QWRGUYRKSA-N 2 2 293.371 -0.475 20 0 CBADLP C[C@@H](C[NH2+][C@H]1CCNC1=O)N(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001374233833 897193899 /nfs/dbraw/zinc/19/38/99/897193899.db2.gz PHFHRPMTXGRNLM-JQWIXIFHSA-N 2 2 293.371 -0.333 20 0 CBADLP C[C@@H](C[NH2+][C@H]1CCNC1=O)N(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001374233833 897193908 /nfs/dbraw/zinc/19/39/08/897193908.db2.gz PHFHRPMTXGRNLM-JQWIXIFHSA-N 2 2 293.371 -0.333 20 0 CBADLP C[C@H](C[NH2+]CC(N)=O)N(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001374248723 897197162 /nfs/dbraw/zinc/19/71/62/897197162.db2.gz WTICVSPBQYFPCU-MNOVXSKESA-N 2 2 293.371 -0.633 20 0 CBADLP C[C@@H](C[NH2+]CC(=O)N1CCC1)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001374293105 897206670 /nfs/dbraw/zinc/20/66/70/897206670.db2.gz HNJFHOFEIWMTRR-NSHDSACASA-N 2 2 293.371 -0.379 20 0 CBADLP C[C@@H](C[NH2+][C@H]1CCNC1=O)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001374301032 897208181 /nfs/dbraw/zinc/20/81/81/897208181.db2.gz GTLSRLCAYBEEEX-UWVGGRQHSA-N 2 2 279.344 -0.723 20 0 CBADLP CNC(=O)C[NH2+][C@H](CNC(=O)CCc1c[nH]c[nH+]1)C(C)C ZINC001374425235 897224498 /nfs/dbraw/zinc/22/44/98/897224498.db2.gz KZNVZCDHIYOAQX-GFCCVEGCSA-N 2 2 295.387 -0.181 20 0 CBADLP CNC(=O)C[NH2+][C@H](CNC(=O)CCc1c[nH+]c[nH]1)C(C)C ZINC001374425235 897224515 /nfs/dbraw/zinc/22/45/15/897224515.db2.gz KZNVZCDHIYOAQX-GFCCVEGCSA-N 2 2 295.387 -0.181 20 0 CBADLP CC(C)[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+][C@H]1CCNC1=O ZINC001374452291 897227337 /nfs/dbraw/zinc/22/73/37/897227337.db2.gz KSVMLLUWNKLYCU-NWDGAFQWSA-N 2 2 293.371 -0.498 20 0 CBADLP CC(C)[C@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+][C@@H](C)C(N)=O ZINC001374444726 897229290 /nfs/dbraw/zinc/22/92/90/897229290.db2.gz SXXCGGMZFNYIFI-JQWIXIFHSA-N 2 2 295.387 -0.433 20 0 CBADLP C[C@H](C(N)=O)[NH+](C)CCN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001374506082 897240214 /nfs/dbraw/zinc/24/02/14/897240214.db2.gz RWRJJHJIHUOPDP-VXGBXAGGSA-N 2 2 284.404 -0.265 20 0 CBADLP C[C@H](C(N)=O)[N@H+](C)CCN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001374506082 897240171 /nfs/dbraw/zinc/24/01/71/897240171.db2.gz RWRJJHJIHUOPDP-VXGBXAGGSA-N 2 2 284.404 -0.265 20 0 CBADLP C[C@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001374506082 897240186 /nfs/dbraw/zinc/24/01/86/897240186.db2.gz RWRJJHJIHUOPDP-VXGBXAGGSA-N 2 2 284.404 -0.265 20 0 CBADLP C[C@H](C(N)=O)[NH+](C)CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001374506082 897240199 /nfs/dbraw/zinc/24/01/99/897240199.db2.gz RWRJJHJIHUOPDP-VXGBXAGGSA-N 2 2 284.404 -0.265 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]CC[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001374701591 897348647 /nfs/dbraw/zinc/34/86/47/897348647.db2.gz WWJJLDBSKWMUMC-WDEREUQCSA-N 2 2 295.387 -0.039 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]CC[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001374701591 897348661 /nfs/dbraw/zinc/34/86/61/897348661.db2.gz WWJJLDBSKWMUMC-WDEREUQCSA-N 2 2 295.387 -0.039 20 0 CBADLP CC[N@H+](C)CCC(=O)N1CC(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001374777781 897382306 /nfs/dbraw/zinc/38/23/06/897382306.db2.gz UVTGUCCZQJQMEG-UHFFFAOYSA-N 2 2 293.371 -0.379 20 0 CBADLP CC[N@@H+](C)CCC(=O)N1CC(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001374777781 897382317 /nfs/dbraw/zinc/38/23/17/897382317.db2.gz UVTGUCCZQJQMEG-UHFFFAOYSA-N 2 2 293.371 -0.379 20 0 CBADLP C[C@H](C[NH2+][C@H](C)C(=O)NC1CC1)NC(=O)Cn1cc[nH+]c1 ZINC001374854168 897410796 /nfs/dbraw/zinc/41/07/96/897410796.db2.gz WNBCQOIUZJEBJW-GHMZBOCLSA-N 2 2 293.371 -0.356 20 0 CBADLP C[C@H](C[N@H+](C)CC(N)=O)NC(=O)C12CCC[NH+]1CCC2 ZINC001375075637 897474245 /nfs/dbraw/zinc/47/42/45/897474245.db2.gz TVMIMQSZSRLYQT-LLVKDONJSA-N 2 2 282.388 -0.463 20 0 CBADLP C[C@H](C[N@@H+](C)CC(N)=O)NC(=O)C12CCC[NH+]1CCC2 ZINC001375075637 897474253 /nfs/dbraw/zinc/47/42/53/897474253.db2.gz TVMIMQSZSRLYQT-LLVKDONJSA-N 2 2 282.388 -0.463 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@@H](C)C[N@H+](C)[C@@H]1CCNC1=O ZINC001375153769 897489390 /nfs/dbraw/zinc/48/93/90/897489390.db2.gz LUFIKEOEVKCNPJ-CMPLNLGQSA-N 2 2 293.371 -0.483 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@@H](C)C[N@@H+](C)[C@@H]1CCNC1=O ZINC001375153769 897489406 /nfs/dbraw/zinc/48/94/06/897489406.db2.gz LUFIKEOEVKCNPJ-CMPLNLGQSA-N 2 2 293.371 -0.483 20 0 CBADLP CCNC(=O)C[NH2+]C[C@H](NC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001375257901 897500725 /nfs/dbraw/zinc/50/07/25/897500725.db2.gz JAQDXWAEVSGGMK-LBPRGKRZSA-N 2 2 293.371 -0.427 20 0 CBADLP C[NH+](C)CCCC(=O)NC[C@@H]1CC[N@@H+]1[C@@H]1CCCNC1=O ZINC001375336556 897518912 /nfs/dbraw/zinc/51/89/12/897518912.db2.gz WNHAQIXQUXEQCM-QWHCGFSZSA-N 2 2 296.415 -0.203 20 0 CBADLP C[NH+](C)CCCC(=O)NC[C@@H]1CC[N@H+]1[C@@H]1CCCNC1=O ZINC001375336556 897518919 /nfs/dbraw/zinc/51/89/19/897518919.db2.gz WNHAQIXQUXEQCM-QWHCGFSZSA-N 2 2 296.415 -0.203 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1CC[N@@H+]1CCO ZINC001375372569 897529774 /nfs/dbraw/zinc/52/97/74/897529774.db2.gz FEXWFBRKSDKJFD-CHWSQXEVSA-N 2 2 285.388 -0.863 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1CC[N@H+]1CCO ZINC001375372569 897529789 /nfs/dbraw/zinc/52/97/89/897529789.db2.gz FEXWFBRKSDKJFD-CHWSQXEVSA-N 2 2 285.388 -0.863 20 0 CBADLP COCC[N@@H+]1CC[C@H]1CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001375375001 897531071 /nfs/dbraw/zinc/53/10/71/897531071.db2.gz VJCRSCCYJDWZGE-KGLIPLIRSA-N 2 2 299.415 -0.208 20 0 CBADLP COCC[N@H+]1CC[C@H]1CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001375375001 897531088 /nfs/dbraw/zinc/53/10/88/897531088.db2.gz VJCRSCCYJDWZGE-KGLIPLIRSA-N 2 2 299.415 -0.208 20 0 CBADLP Cn1nnnc1C[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001375404140 897537604 /nfs/dbraw/zinc/53/76/04/897537604.db2.gz POOQQMAVPONJQU-SNVBAGLBSA-N 2 2 293.375 -0.957 20 0 CBADLP Cn1nnnc1C[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001375404140 897537617 /nfs/dbraw/zinc/53/76/17/897537617.db2.gz POOQQMAVPONJQU-SNVBAGLBSA-N 2 2 293.375 -0.957 20 0 CBADLP CN(C[C@@H]1CC[N@@H+]1CCO)C(=O)CCc1[nH+]ccn1C ZINC001375457068 897545847 /nfs/dbraw/zinc/54/58/47/897545847.db2.gz MBWCLADKORJVSW-LBPRGKRZSA-N 2 2 280.372 -0.122 20 0 CBADLP CN(C[C@@H]1CC[N@H+]1CCO)C(=O)CCc1[nH+]ccn1C ZINC001375457068 897545861 /nfs/dbraw/zinc/54/58/61/897545861.db2.gz MBWCLADKORJVSW-LBPRGKRZSA-N 2 2 280.372 -0.122 20 0 CBADLP CCNC(=O)C[NH+]1CC[C@H]1CN(C)C(=O)C[N@H+](C)C(C)C ZINC001375465553 897547227 /nfs/dbraw/zinc/54/72/27/897547227.db2.gz BGUCQBCQZYIUIF-ZDUSSCGKSA-N 2 2 298.431 -0.005 20 0 CBADLP CCNC(=O)C[NH+]1CC[C@H]1CN(C)C(=O)C[N@@H+](C)C(C)C ZINC001375465553 897547241 /nfs/dbraw/zinc/54/72/41/897547241.db2.gz BGUCQBCQZYIUIF-ZDUSSCGKSA-N 2 2 298.431 -0.005 20 0 CBADLP CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)C[NH+](C)C(C)C ZINC001375465553 897547199 /nfs/dbraw/zinc/54/71/99/897547199.db2.gz BGUCQBCQZYIUIF-ZDUSSCGKSA-N 2 2 298.431 -0.005 20 0 CBADLP CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)C[NH+](C)C(C)C ZINC001375465553 897547212 /nfs/dbraw/zinc/54/72/12/897547212.db2.gz BGUCQBCQZYIUIF-ZDUSSCGKSA-N 2 2 298.431 -0.005 20 0 CBADLP COC[C@@H](O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001375472385 897551120 /nfs/dbraw/zinc/55/11/20/897551120.db2.gz SKPXSCGQYBYDQO-OLZOCXBDSA-N 2 2 296.371 -0.508 20 0 CBADLP COC[C@@H](O)C[N@H+]1CC[C@@H]1CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001375472385 897551136 /nfs/dbraw/zinc/55/11/36/897551136.db2.gz SKPXSCGQYBYDQO-OLZOCXBDSA-N 2 2 296.371 -0.508 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C[NH+](C)C(C)C ZINC001375479823 897553613 /nfs/dbraw/zinc/55/36/13/897553613.db2.gz SWGGRTVCJFGJQA-GFCCVEGCSA-N 2 2 284.404 -0.395 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)C[NH+](C)C(C)C ZINC001375479823 897553623 /nfs/dbraw/zinc/55/36/23/897553623.db2.gz SWGGRTVCJFGJQA-GFCCVEGCSA-N 2 2 284.404 -0.395 20 0 CBADLP CNC(=O)C[NH+]1CC[C@@H]1CN(C)C(=O)C[N@H+](C)C(C)C ZINC001375479823 897553634 /nfs/dbraw/zinc/55/36/34/897553634.db2.gz SWGGRTVCJFGJQA-GFCCVEGCSA-N 2 2 284.404 -0.395 20 0 CBADLP CNC(=O)C[NH+]1CC[C@@H]1CN(C)C(=O)C[N@@H+](C)C(C)C ZINC001375479823 897553639 /nfs/dbraw/zinc/55/36/39/897553639.db2.gz SWGGRTVCJFGJQA-GFCCVEGCSA-N 2 2 284.404 -0.395 20 0 CBADLP C[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1)C(N)=O ZINC001375548736 897563346 /nfs/dbraw/zinc/56/33/46/897563346.db2.gz PGSLHECZYJYJFJ-OPRDCNLKSA-N 2 2 279.344 -0.690 20 0 CBADLP C[C@H]([NH2+]C[C@@H]1CCCN1C(=O)CCn1cc[nH+]c1)C(N)=O ZINC001375763544 897601868 /nfs/dbraw/zinc/60/18/68/897601868.db2.gz WKXAHVHMCJFJNO-RYUDHWBXSA-N 2 2 293.371 -0.272 20 0 CBADLP C[C@H]([NH2+]C[C@H]1CCCN1C(=O)CCn1cc[nH+]c1)C(N)=O ZINC001375763540 897603002 /nfs/dbraw/zinc/60/30/02/897603002.db2.gz WKXAHVHMCJFJNO-NWDGAFQWSA-N 2 2 293.371 -0.272 20 0 CBADLP CC(C)(C(=O)N1CCC[C@H]1C[NH2+]CC(N)=O)c1c[nH+]c[nH]1 ZINC001375767776 897606684 /nfs/dbraw/zinc/60/66/84/897606684.db2.gz PYGGLLWVUCYWQX-JTQLQIEISA-N 2 2 293.371 -0.247 20 0 CBADLP CO[C@@H](C)C[NH+]1CC(O)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001376144090 897672625 /nfs/dbraw/zinc/67/26/25/897672625.db2.gz UCJRTXCFPUCKLJ-RYUDHWBXSA-N 2 2 285.388 -0.722 20 0 CBADLP CO[C@@H](C)C[NH+]1CC(O)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001376144090 897672636 /nfs/dbraw/zinc/67/26/36/897672636.db2.gz UCJRTXCFPUCKLJ-RYUDHWBXSA-N 2 2 285.388 -0.722 20 0 CBADLP COC[C@H](C)[NH+]1CC(O)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001376187319 897683476 /nfs/dbraw/zinc/68/34/76/897683476.db2.gz SJGPYGBZWWMLHV-LBPRGKRZSA-N 2 2 299.415 -0.332 20 0 CBADLP O=C(NC[C@@H]([NH2+]CCO)C1CC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001376214827 897689888 /nfs/dbraw/zinc/68/98/88/897689888.db2.gz IQQZADTWWPCKHB-TZMCWYRMSA-N 2 2 292.383 -0.078 20 0 CBADLP C[N@@H+]1CC[C@H](CC(=O)NCC2(O)C[NH+](CCCF)C2)C1 ZINC001376276806 897700855 /nfs/dbraw/zinc/70/08/55/897700855.db2.gz PUWAZTSSABFSNC-GFCCVEGCSA-N 2 2 287.379 -0.149 20 0 CBADLP C[N@H+]1CC[C@H](CC(=O)NCC2(O)C[NH+](CCCF)C2)C1 ZINC001376276806 897700866 /nfs/dbraw/zinc/70/08/66/897700866.db2.gz PUWAZTSSABFSNC-GFCCVEGCSA-N 2 2 287.379 -0.149 20 0 CBADLP CC[N@H+](C)CCC(=O)NCC1(O)C[NH+](CCCF)C1 ZINC001376270513 897703713 /nfs/dbraw/zinc/70/37/13/897703713.db2.gz VRDOGDVEGBJLOP-UHFFFAOYSA-N 2 2 275.368 -0.149 20 0 CBADLP CC[N@@H+](C)CCC(=O)NCC1(O)C[NH+](CCCF)C1 ZINC001376270513 897703724 /nfs/dbraw/zinc/70/37/24/897703724.db2.gz VRDOGDVEGBJLOP-UHFFFAOYSA-N 2 2 275.368 -0.149 20 0 CBADLP CCCNC(=O)C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001376353054 897716130 /nfs/dbraw/zinc/71/61/30/897716130.db2.gz NMKXVXGKBYWUPF-LBPRGKRZSA-N 2 2 293.371 -0.400 20 0 CBADLP CCN(C)C(=O)C[NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001376398279 897723510 /nfs/dbraw/zinc/72/35/10/897723510.db2.gz ILRFEMSLXPOSFX-XYPYZODXSA-N 2 2 293.371 -0.333 20 0 CBADLP COC[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001376399918 897727984 /nfs/dbraw/zinc/72/79/84/897727984.db2.gz KXYPXSCTLIVMQH-NHCYSSNCSA-N 2 2 282.344 -0.804 20 0 CBADLP C[C@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]CCn1cncn1 ZINC001376772972 897838644 /nfs/dbraw/zinc/83/86/44/897838644.db2.gz GGTHNQXJLCDEDI-GFCCVEGCSA-N 2 2 291.359 -0.341 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)NCC1([NH2+]CC(N)=O)CCC1 ZINC001376772795 897839876 /nfs/dbraw/zinc/83/98/76/897839876.db2.gz FSSPNXLQTIZNPH-UHFFFAOYSA-N 2 2 293.371 -0.534 20 0 CBADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CC(=O)N1CCC1 ZINC001376820968 897857355 /nfs/dbraw/zinc/85/73/55/897857355.db2.gz FYBSASYGMINAPL-JTQLQIEISA-N 2 2 279.344 -0.721 20 0 CBADLP COC[C@@H](O)C[NH2+]C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001376946519 897901936 /nfs/dbraw/zinc/90/19/36/897901936.db2.gz DFRSYSDMZFKRCR-NEPJUHHUSA-N 2 2 296.371 -0.602 20 0 CBADLP C[C@@H](CCNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CC(=O)NC1CC1 ZINC001377075734 897923704 /nfs/dbraw/zinc/92/37/04/897923704.db2.gz OMUUKTJWKNWRGJ-JTQLQIEISA-N 2 2 293.371 -0.285 20 0 CBADLP C[C@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1nncn1C ZINC001377100836 897929860 /nfs/dbraw/zinc/92/98/60/897929860.db2.gz DTLTUHBTLJLAHS-LLVKDONJSA-N 2 2 291.359 -0.304 20 0 CBADLP CC[NH+](CC)CC(=O)NC[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001377099986 897929982 /nfs/dbraw/zinc/92/99/82/897929982.db2.gz FCCFNNUMENTJOK-GFCCVEGCSA-N 2 2 295.387 -0.154 20 0 CBADLP CN(C)C(=O)C[N@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001377215587 897971135 /nfs/dbraw/zinc/97/11/35/897971135.db2.gz WXOVBEIBCUZEGP-LBPRGKRZSA-N 2 2 284.404 -0.393 20 0 CBADLP CN(C)C(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001377215587 897971144 /nfs/dbraw/zinc/97/11/44/897971144.db2.gz WXOVBEIBCUZEGP-LBPRGKRZSA-N 2 2 284.404 -0.393 20 0 CBADLP CN(C)C(=O)C[NH+](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001377215587 897971154 /nfs/dbraw/zinc/97/11/54/897971154.db2.gz WXOVBEIBCUZEGP-LBPRGKRZSA-N 2 2 284.404 -0.393 20 0 CBADLP CN(C)C(=O)C[NH+](C)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001377215587 897971166 /nfs/dbraw/zinc/97/11/66/897971166.db2.gz WXOVBEIBCUZEGP-LBPRGKRZSA-N 2 2 284.404 -0.393 20 0 CBADLP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]Cc1nnn(C)n1 ZINC001377270102 897992580 /nfs/dbraw/zinc/99/25/80/897992580.db2.gz DVYRGRSSFXNCOF-WDEREUQCSA-N 2 2 295.391 -0.902 20 0 CBADLP CC1([NH2+]CC(N)=O)CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001377284344 897999712 /nfs/dbraw/zinc/99/97/12/897999712.db2.gz HZQIDICYQHBFIP-UHFFFAOYSA-N 2 2 293.371 -0.202 20 0 CBADLP CC1([NH2+]CC(N)=O)CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001377284344 897999718 /nfs/dbraw/zinc/99/97/18/897999718.db2.gz HZQIDICYQHBFIP-UHFFFAOYSA-N 2 2 293.371 -0.202 20 0 CBADLP CC[C@H](C(=O)NCC[N@H+](C)CC(=O)N1CCC1)[NH+](C)C ZINC001377309583 898006813 /nfs/dbraw/zinc/00/68/13/898006813.db2.gz WWLDCLSSNJGZHT-GFCCVEGCSA-N 2 2 284.404 -0.393 20 0 CBADLP CC[C@H](C(=O)NCC[N@@H+](C)CC(=O)N1CCC1)[NH+](C)C ZINC001377309583 898006821 /nfs/dbraw/zinc/00/68/21/898006821.db2.gz WWLDCLSSNJGZHT-GFCCVEGCSA-N 2 2 284.404 -0.393 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NC[C@H]1CCC[N@@H+]1CC(N)=O ZINC001377407758 898036871 /nfs/dbraw/zinc/03/68/71/898036871.db2.gz XIGDWXRNJUWWBW-LLVKDONJSA-N 2 2 279.344 -0.743 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NC[C@H]1CCC[N@H+]1CC(N)=O ZINC001377407758 898036883 /nfs/dbraw/zinc/03/68/83/898036883.db2.gz XIGDWXRNJUWWBW-LLVKDONJSA-N 2 2 279.344 -0.743 20 0 CBADLP CCC[N@H+](CCNC(=O)Cn1cc[nH+]c1C)[C@@H](C)C(N)=O ZINC001377512685 898070757 /nfs/dbraw/zinc/07/07/57/898070757.db2.gz YPANQFHLCVQEKJ-NSHDSACASA-N 2 2 295.387 -0.106 20 0 CBADLP CCC[N@@H+](CCNC(=O)Cn1cc[nH+]c1C)[C@@H](C)C(N)=O ZINC001377512685 898070770 /nfs/dbraw/zinc/07/07/70/898070770.db2.gz YPANQFHLCVQEKJ-NSHDSACASA-N 2 2 295.387 -0.106 20 0 CBADLP C[NH+](C)Cc1cc(C(=O)NCC[N@H+](CCO)C2CC2)no1 ZINC001377531730 898074626 /nfs/dbraw/zinc/07/46/26/898074626.db2.gz GDCYWOXHSCIELQ-UHFFFAOYSA-N 2 2 296.371 -0.077 20 0 CBADLP C[NH+](C)Cc1cc(C(=O)NCC[N@@H+](CCO)C2CC2)no1 ZINC001377531730 898074633 /nfs/dbraw/zinc/07/46/33/898074633.db2.gz GDCYWOXHSCIELQ-UHFFFAOYSA-N 2 2 296.371 -0.077 20 0 CBADLP C[C@H]([NH2+]CCN(C)C(=O)Cc1[nH]cc[nH+]1)C(=O)N(C)C ZINC001377598437 898101974 /nfs/dbraw/zinc/10/19/74/898101974.db2.gz UWDZPIJHVPMROA-JTQLQIEISA-N 2 2 281.360 -0.523 20 0 CBADLP CCN1CC[C@@H]([NH2+]CCN(C)C(=O)Cn2cc[nH+]c2)C1=O ZINC001377599189 898102049 /nfs/dbraw/zinc/10/20/49/898102049.db2.gz FNLXSTLCIHKFPQ-GFCCVEGCSA-N 2 2 293.371 -0.448 20 0 CBADLP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](CC(=O)NC)C1 ZINC001377825149 898143536 /nfs/dbraw/zinc/14/35/36/898143536.db2.gz MFHCSIXQKYTJKQ-GFCCVEGCSA-N 2 2 284.404 -0.345 20 0 CBADLP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[NH+](CC(=O)NC)C1 ZINC001377825149 898143545 /nfs/dbraw/zinc/14/35/45/898143545.db2.gz MFHCSIXQKYTJKQ-GFCCVEGCSA-N 2 2 284.404 -0.345 20 0 CBADLP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](CC(=O)NC)C1 ZINC001377825149 898143553 /nfs/dbraw/zinc/14/35/53/898143553.db2.gz MFHCSIXQKYTJKQ-GFCCVEGCSA-N 2 2 284.404 -0.345 20 0 CBADLP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NC)C1 ZINC001377825149 898143561 /nfs/dbraw/zinc/14/35/61/898143561.db2.gz MFHCSIXQKYTJKQ-GFCCVEGCSA-N 2 2 284.404 -0.345 20 0 CBADLP C[NH+]1CCC(OCC(=O)NC2C[NH+](CCCO)C2)CC1 ZINC001377925193 898171977 /nfs/dbraw/zinc/17/19/77/898171977.db2.gz CEAKYVCAWUEEHO-UHFFFAOYSA-N 2 2 285.388 -0.720 20 0 CBADLP CC[C@H](C(=O)NCC1C[NH+](CC(=O)N(C)CC)C1)[NH+](C)C ZINC001377979767 898189998 /nfs/dbraw/zinc/18/99/98/898189998.db2.gz TYZDBINRKQDSJW-CYBMUJFWSA-N 2 2 298.431 -0.147 20 0 CBADLP CCNC(=O)C[NH+]1CC(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001377994540 898192736 /nfs/dbraw/zinc/19/27/36/898192736.db2.gz UNRHUJDCYSPSGH-CQSZACIVSA-N 2 2 298.431 -0.243 20 0 CBADLP C[N@@H+]1CC[C@@H](CC(=O)NCC2C[NH+]([C@@H]3CCNC3=O)C2)C1 ZINC001378015083 898197225 /nfs/dbraw/zinc/19/72/25/898197225.db2.gz HDGVEWANEFDKDJ-WCQYABFASA-N 2 2 294.399 -0.735 20 0 CBADLP C[N@H+]1CC[C@@H](CC(=O)NCC2C[NH+]([C@@H]3CCNC3=O)C2)C1 ZINC001378015083 898197232 /nfs/dbraw/zinc/19/72/32/898197232.db2.gz HDGVEWANEFDKDJ-WCQYABFASA-N 2 2 294.399 -0.735 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001378018909 898202058 /nfs/dbraw/zinc/20/20/58/898202058.db2.gz DYWHZKMUBUVEPY-LBPRGKRZSA-N 2 2 296.415 -0.216 20 0 CBADLP CC[C@@H](C(=O)N[C@@H]1CC[N@H+](CC(=O)NC2CC2)C1)[NH+](C)C ZINC001378128564 898246432 /nfs/dbraw/zinc/24/64/32/898246432.db2.gz ATVXBOALYTXVLQ-OLZOCXBDSA-N 2 2 296.415 -0.204 20 0 CBADLP CC[C@@H](C(=O)N[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C1)[NH+](C)C ZINC001378128564 898246446 /nfs/dbraw/zinc/24/64/46/898246446.db2.gz ATVXBOALYTXVLQ-OLZOCXBDSA-N 2 2 296.415 -0.204 20 0 CBADLP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](Cc2cnnn2C)C1 ZINC001378141691 898252398 /nfs/dbraw/zinc/25/23/98/898252398.db2.gz RZOHSFGNPWYKAY-GFCCVEGCSA-N 2 2 294.403 -0.153 20 0 CBADLP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](Cc2cnnn2C)C1 ZINC001378141691 898252413 /nfs/dbraw/zinc/25/24/13/898252413.db2.gz RZOHSFGNPWYKAY-GFCCVEGCSA-N 2 2 294.403 -0.153 20 0 CBADLP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](Cc2cnnn2C)C1 ZINC001378141691 898252429 /nfs/dbraw/zinc/25/24/29/898252429.db2.gz RZOHSFGNPWYKAY-GFCCVEGCSA-N 2 2 294.403 -0.153 20 0 CBADLP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](Cc2cnnn2C)C1 ZINC001378141691 898252448 /nfs/dbraw/zinc/25/24/48/898252448.db2.gz RZOHSFGNPWYKAY-GFCCVEGCSA-N 2 2 294.403 -0.153 20 0 CBADLP CNC(=O)[C@H](C)[N@H+](C)[C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001378190732 898272167 /nfs/dbraw/zinc/27/21/67/898272167.db2.gz QILJWFPBGFBUFG-MNOVXSKESA-N 2 2 295.387 -0.466 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+](C)[C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001378190732 898272179 /nfs/dbraw/zinc/27/21/79/898272179.db2.gz QILJWFPBGFBUFG-MNOVXSKESA-N 2 2 295.387 -0.466 20 0 CBADLP COC[C@@H](C)[NH+]1CC(CCO)(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001378274586 898300670 /nfs/dbraw/zinc/30/06/70/898300670.db2.gz LBJOVDCMGIIBJV-CHWSQXEVSA-N 2 2 299.415 -0.332 20 0 CBADLP COC[C@@H](C)[NH+]1CC(CCO)(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001378274586 898300682 /nfs/dbraw/zinc/30/06/82/898300682.db2.gz LBJOVDCMGIIBJV-CHWSQXEVSA-N 2 2 299.415 -0.332 20 0 CBADLP CC[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]Cc1cnnn1C ZINC001378282094 898304052 /nfs/dbraw/zinc/30/40/52/898304052.db2.gz AFZCTVSLKCTETG-JTQLQIEISA-N 2 2 291.359 -0.235 20 0 CBADLP CCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001378539146 898348007 /nfs/dbraw/zinc/34/80/07/898348007.db2.gz LUOWGPHRFNIRIY-YPMHNXCESA-N 2 2 298.431 -0.101 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001378619385 898369151 /nfs/dbraw/zinc/36/91/51/898369151.db2.gz VICNQNRRKITCQI-MNOVXSKESA-N 2 2 295.387 -0.324 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001378619385 898369164 /nfs/dbraw/zinc/36/91/64/898369164.db2.gz VICNQNRRKITCQI-MNOVXSKESA-N 2 2 295.387 -0.324 20 0 CBADLP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C ZINC001378894726 898430362 /nfs/dbraw/zinc/43/03/62/898430362.db2.gz GMKUHCBQDMJMPB-CMPLNLGQSA-N 2 2 293.371 -0.475 20 0 CBADLP CN(CC[N@H+](C)CC(N)=O)C(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001379070576 898458881 /nfs/dbraw/zinc/45/88/81/898458881.db2.gz BEBZCHXKXJWJKW-CHWSQXEVSA-N 2 2 296.415 -0.121 20 0 CBADLP CN(CC[N@@H+](C)CC(N)=O)C(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001379070576 898458889 /nfs/dbraw/zinc/45/88/89/898458889.db2.gz BEBZCHXKXJWJKW-CHWSQXEVSA-N 2 2 296.415 -0.121 20 0 CBADLP CN(CC[NH+](C)CC(N)=O)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001379070576 898458900 /nfs/dbraw/zinc/45/89/00/898458900.db2.gz BEBZCHXKXJWJKW-CHWSQXEVSA-N 2 2 296.415 -0.121 20 0 CBADLP CN(CC[NH+](C)CC(N)=O)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001379070576 898458906 /nfs/dbraw/zinc/45/89/06/898458906.db2.gz BEBZCHXKXJWJKW-CHWSQXEVSA-N 2 2 296.415 -0.121 20 0 CBADLP CCNC(=O)C[N@H+](C)CCN(C)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001379095825 898465471 /nfs/dbraw/zinc/46/54/71/898465471.db2.gz GNJPGIZYHWRFJV-CYBMUJFWSA-N 2 2 298.431 -0.146 20 0 CBADLP CCNC(=O)C[N@@H+](C)CCN(C)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001379095825 898465479 /nfs/dbraw/zinc/46/54/79/898465479.db2.gz GNJPGIZYHWRFJV-CYBMUJFWSA-N 2 2 298.431 -0.146 20 0 CBADLP CCNC(=O)C[NH+](C)CCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001379095825 898465484 /nfs/dbraw/zinc/46/54/84/898465484.db2.gz GNJPGIZYHWRFJV-CYBMUJFWSA-N 2 2 298.431 -0.146 20 0 CBADLP CCNC(=O)C[NH+](C)CCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001379095825 898465492 /nfs/dbraw/zinc/46/54/92/898465492.db2.gz GNJPGIZYHWRFJV-CYBMUJFWSA-N 2 2 298.431 -0.146 20 0 CBADLP C[C@@H](CN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1)[NH2+]CCO ZINC001379158496 898480235 /nfs/dbraw/zinc/48/02/35/898480235.db2.gz ZWKOPQYOYQPEFV-NWDGAFQWSA-N 2 2 280.372 -0.126 20 0 CBADLP O=C(NC[C@H](O)C[NH2+]CC1CC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001379208068 898503809 /nfs/dbraw/zinc/50/38/09/898503809.db2.gz OKLFNLKSIMEHFP-TZMCWYRMSA-N 2 2 292.383 -0.078 20 0 CBADLP CNC(=O)C[NH2+][C@H](C)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001379274216 898533231 /nfs/dbraw/zinc/53/32/31/898533231.db2.gz IRNBPPNHYBMKPH-SNVBAGLBSA-N 2 2 281.360 -0.855 20 0 CBADLP CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001379328755 898551889 /nfs/dbraw/zinc/55/18/89/898551889.db2.gz RJAJKIOCXSMAPS-LLVKDONJSA-N 2 2 281.360 -0.544 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)CC[NH2+][C@H](C)C(N)=O ZINC001379358240 898572644 /nfs/dbraw/zinc/57/26/44/898572644.db2.gz APMDBOGBBFVGPQ-PSASIEDQSA-N 2 2 281.360 -0.381 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]Cc1ccon1 ZINC001379373960 898589680 /nfs/dbraw/zinc/58/96/80/898589680.db2.gz QSDLCJIZLAFGBO-NWDGAFQWSA-N 2 2 282.344 -0.665 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]Cc1ccon1 ZINC001379373960 898589695 /nfs/dbraw/zinc/58/96/95/898589695.db2.gz QSDLCJIZLAFGBO-NWDGAFQWSA-N 2 2 282.344 -0.665 20 0 CBADLP CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001379406779 898604619 /nfs/dbraw/zinc/60/46/19/898604619.db2.gz YTIRGBJCJUPACY-LLVKDONJSA-N 2 2 281.360 -0.496 20 0 CBADLP CC[C@@H](C)NC(=O)C[NH2+]C[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001379451510 898618569 /nfs/dbraw/zinc/61/85/69/898618569.db2.gz FXTRRJFTPDRIEA-GHMZBOCLSA-N 2 2 295.387 -0.039 20 0 CBADLP COC[C@@H](O)C[NH2+]C[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001379453326 898621830 /nfs/dbraw/zinc/62/18/30/898621830.db2.gz ZWTSCCYMUKISMS-PWSUYJOCSA-N 2 2 284.360 -0.936 20 0 CBADLP CC[C@H](F)C[NH2+][C@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001379537147 898661096 /nfs/dbraw/zinc/66/10/96/898661096.db2.gz JXUZELNYUILJFM-QWRGUYRKSA-N 2 2 272.324 -0.302 20 0 CBADLP C[C@@H](C[NH2+]CC(=O)NCC1CC1)NC(=O)Cn1cc[nH+]c1 ZINC001379606664 898681536 /nfs/dbraw/zinc/68/15/36/898681536.db2.gz OSKNIUFRYUMKQL-NSHDSACASA-N 2 2 293.371 -0.496 20 0 CBADLP C[C@@H](C[NH2+][C@H]1CCCN(C)C1=O)NC(=O)Cn1cc[nH+]c1 ZINC001379604784 898681997 /nfs/dbraw/zinc/68/19/97/898681997.db2.gz HWIKTPSOVZGODV-RYUDHWBXSA-N 2 2 293.371 -0.402 20 0 CBADLP CC[C@H](C(N)=O)[N@H+](C)C[C@@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001379697490 898704671 /nfs/dbraw/zinc/70/46/71/898704671.db2.gz ASWMRPDKDSVHBS-ZYHUDNBSSA-N 2 2 295.387 -0.108 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+](C)C[C@@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001379697490 898704682 /nfs/dbraw/zinc/70/46/82/898704682.db2.gz ASWMRPDKDSVHBS-ZYHUDNBSSA-N 2 2 295.387 -0.108 20 0 CBADLP CNC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC1(C)C ZINC001379732477 898712775 /nfs/dbraw/zinc/71/27/75/898712775.db2.gz PBRPJDKMLNWBNE-SNVBAGLBSA-N 2 2 293.371 -0.475 20 0 CBADLP CC[C@H](C(N)=O)[N@H+](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001379789547 898731294 /nfs/dbraw/zinc/73/12/94/898731294.db2.gz NEMRWJFYXRKEOE-ZYHUDNBSSA-N 2 2 295.387 -0.108 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001379789547 898731299 /nfs/dbraw/zinc/73/12/99/898731299.db2.gz NEMRWJFYXRKEOE-ZYHUDNBSSA-N 2 2 295.387 -0.108 20 0 CBADLP CCNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001379790304 898731779 /nfs/dbraw/zinc/73/17/79/898731779.db2.gz OAIIUDPVWAWEPK-LLVKDONJSA-N 2 2 295.387 -0.236 20 0 CBADLP CCNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001379790304 898731794 /nfs/dbraw/zinc/73/17/94/898731794.db2.gz OAIIUDPVWAWEPK-LLVKDONJSA-N 2 2 295.387 -0.236 20 0 CBADLP NC(=O)C[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC001379802582 898735065 /nfs/dbraw/zinc/73/50/65/898735065.db2.gz GLTDUNVOYSDLQY-RYUDHWBXSA-N 2 2 293.371 -0.367 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@H](C[NH2+][C@@H]1CCNC1=O)C1CC1 ZINC001379917442 898759728 /nfs/dbraw/zinc/75/97/28/898759728.db2.gz MILWEHWXJRCXQL-VXGBXAGGSA-N 2 2 291.355 -0.744 20 0 CBADLP CN(C[C@H](O)C[N@H+](C)CCO)C(=O)CCn1cc[nH+]c1 ZINC001379942123 898767176 /nfs/dbraw/zinc/76/71/76/898767176.db2.gz IXSKEDKVBPMIJB-GFCCVEGCSA-N 2 2 284.360 -0.983 20 0 CBADLP CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)CCn1cc[nH+]c1 ZINC001379942123 898767182 /nfs/dbraw/zinc/76/71/82/898767182.db2.gz IXSKEDKVBPMIJB-GFCCVEGCSA-N 2 2 284.360 -0.983 20 0 CBADLP CN1CC[C@@H]([N@@H+]2CC[C@H]2CNC(=O)CC[NH+](C)C)C1=O ZINC001380013083 898786729 /nfs/dbraw/zinc/78/67/29/898786729.db2.gz LUSOTMBFCLFHCY-NWDGAFQWSA-N 2 2 282.388 -0.641 20 0 CBADLP CN1CC[C@@H]([N@H+]2CC[C@H]2CNC(=O)CC[NH+](C)C)C1=O ZINC001380013083 898786735 /nfs/dbraw/zinc/78/67/35/898786735.db2.gz LUSOTMBFCLFHCY-NWDGAFQWSA-N 2 2 282.388 -0.641 20 0 CBADLP COC[C@H](O)C[NH2+]C1(CNC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001380165663 898825598 /nfs/dbraw/zinc/82/55/98/898825598.db2.gz YOLMVWQAWOKUAB-LLVKDONJSA-N 2 2 296.371 -0.494 20 0 CBADLP COC[C@H](O)C[NH+]1CC(N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001380241703 898839137 /nfs/dbraw/zinc/83/91/37/898839137.db2.gz PJBCVFQTDYDERX-CYBMUJFWSA-N 2 2 299.415 -0.522 20 0 CBADLP C[C@H](CC(=O)N1CCC[C@@H]1C[NH2+]CC(N)=O)n1cc[nH+]c1 ZINC001380280984 898845146 /nfs/dbraw/zinc/84/51/46/898845146.db2.gz DFLKZULXCICPIJ-VXGBXAGGSA-N 2 2 293.371 -0.100 20 0 CBADLP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC001380272148 898848624 /nfs/dbraw/zinc/84/86/24/898848624.db2.gz STOKVUQDXNUNTJ-VXGBXAGGSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CC[C@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001380375838 898871308 /nfs/dbraw/zinc/87/13/08/898871308.db2.gz KUMORNIXKGKQEC-RISCZKNCSA-N 2 2 282.388 -0.463 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CC[C@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001380375838 898871317 /nfs/dbraw/zinc/87/13/17/898871317.db2.gz KUMORNIXKGKQEC-RISCZKNCSA-N 2 2 282.388 -0.463 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC001380683522 898933907 /nfs/dbraw/zinc/93/39/07/898933907.db2.gz BWMQUUJZFDFCRS-WDEREUQCSA-N 2 2 293.371 -0.618 20 0 CBADLP CO[C@H](C)C[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001380910125 898970420 /nfs/dbraw/zinc/97/04/20/898970420.db2.gz CCRFIAZFZWBZAY-OLZOCXBDSA-N 2 2 296.371 -0.265 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N[C@H]1COC2(C[NH+](C[C@H](C)O)C2)C1 ZINC001381017882 898986602 /nfs/dbraw/zinc/98/66/02/898986602.db2.gz XYUAVQATFLPDOA-QWHCGFSZSA-N 2 2 299.415 -0.333 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N[C@H]1COC2(C[NH+](C[C@H](C)O)C2)C1 ZINC001381017882 898986609 /nfs/dbraw/zinc/98/66/09/898986609.db2.gz XYUAVQATFLPDOA-QWHCGFSZSA-N 2 2 299.415 -0.333 20 0 CBADLP CNC(=O)C[NH2+][C@@H](C)CCNC(=O)CCn1cc[nH+]c1 ZINC001381206056 899012815 /nfs/dbraw/zinc/01/28/15/899012815.db2.gz GUKLMHMJGYXGGD-NSHDSACASA-N 2 2 281.360 -0.496 20 0 CBADLP CCNC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001381442834 899051967 /nfs/dbraw/zinc/05/19/67/899051967.db2.gz BQVODJRHHOCUQT-ZJUUUORDSA-N 2 2 295.387 -0.120 20 0 CBADLP C[C@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)[NH2+]Cc1cnn(C)n1 ZINC001381449270 899056117 /nfs/dbraw/zinc/05/61/17/899056117.db2.gz OMKVWBOVGOCEHV-QWRGUYRKSA-N 2 2 291.359 -0.305 20 0 CBADLP C[C@H](NC(=O)Cc1c[nH+]cn1C)[C@H](C)[NH2+]CC(=O)N(C)C ZINC001381445820 899056673 /nfs/dbraw/zinc/05/66/73/899056673.db2.gz RKIXTQMKQFKSIC-QWRGUYRKSA-N 2 2 295.387 -0.466 20 0 CBADLP C[C@H](CNC(=O)C12CCC[NH+]1CCC2)[N@H+](C)CC(N)=O ZINC001381541262 899076974 /nfs/dbraw/zinc/07/69/74/899076974.db2.gz LXNAPXQZWRWTGK-LLVKDONJSA-N 2 2 282.388 -0.463 20 0 CBADLP C[C@H](CNC(=O)C12CCC[NH+]1CCC2)[N@@H+](C)CC(N)=O ZINC001381541262 899076990 /nfs/dbraw/zinc/07/69/90/899076990.db2.gz LXNAPXQZWRWTGK-LLVKDONJSA-N 2 2 282.388 -0.463 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@H](C)C1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001381832297 899118349 /nfs/dbraw/zinc/11/83/49/899118349.db2.gz WMIUWDHCYLVRCB-ZJUUUORDSA-N 2 2 293.371 -0.498 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1[C@H]2C[N@H+](C[C@@H](C)O)C[C@H]21 ZINC001381913440 899128154 /nfs/dbraw/zinc/12/81/54/899128154.db2.gz DDEQLOXCYCCCHB-JHEVNIALSA-N 2 2 292.383 -0.065 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1[C@H]2C[N@@H+](C[C@@H](C)O)C[C@H]21 ZINC001381913440 899128161 /nfs/dbraw/zinc/12/81/61/899128161.db2.gz DDEQLOXCYCCCHB-JHEVNIALSA-N 2 2 292.383 -0.065 20 0 CBADLP CC(C)[NH2+][C@@H](CO)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001382206364 899191969 /nfs/dbraw/zinc/19/19/69/899191969.db2.gz HVUJNWNZUBZQPO-NWDGAFQWSA-N 2 2 280.372 -0.079 20 0 CBADLP C[C@@H](F)CC[NH2+][C@H](CO)CNC(=O)Cc1c[nH+]cn1C ZINC001382262748 899217787 /nfs/dbraw/zinc/21/77/87/899217787.db2.gz CMJSJYCNYKKETF-MNOVXSKESA-N 2 2 286.351 -0.223 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC[C@@H](CO)[NH2+]C[C@@H]1CCOC1 ZINC001382265410 899221919 /nfs/dbraw/zinc/22/19/19/899221919.db2.gz IRBDGAALOMXASZ-RYUDHWBXSA-N 2 2 296.371 -0.934 20 0 CBADLP Cc1nnc(C[NH2+]C[C@@H](O)CN(C)C(=O)CC[NH+](C)C)o1 ZINC001382413277 899282787 /nfs/dbraw/zinc/28/27/87/899282787.db2.gz JZYWPVZNAJNNJM-LLVKDONJSA-N 2 2 299.375 -0.761 20 0 CBADLP COC[C@H](C)[N@H+](C)C[C@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001382470669 899311417 /nfs/dbraw/zinc/31/14/17/899311417.db2.gz GZDCOMOGDRNCSR-RYUDHWBXSA-N 2 2 298.387 -0.262 20 0 CBADLP COC[C@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001382470669 899311425 /nfs/dbraw/zinc/31/14/25/899311425.db2.gz GZDCOMOGDRNCSR-RYUDHWBXSA-N 2 2 298.387 -0.262 20 0 CBADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001386911510 899729751 /nfs/dbraw/zinc/72/97/51/899729751.db2.gz YVOLKNSGMNSSPN-NEPJUHHUSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001386911510 899729759 /nfs/dbraw/zinc/72/97/59/899729759.db2.gz YVOLKNSGMNSSPN-NEPJUHHUSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001387188063 899770375 /nfs/dbraw/zinc/77/03/75/899770375.db2.gz FUWVXUHMVHTQMY-JQWIXIFHSA-N 2 2 293.371 -0.333 20 0 CBADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001387188063 899770386 /nfs/dbraw/zinc/77/03/86/899770386.db2.gz FUWVXUHMVHTQMY-JQWIXIFHSA-N 2 2 293.371 -0.333 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CC(NC(=O)CC[NH+](C)C)C1 ZINC001387812860 899834620 /nfs/dbraw/zinc/83/46/20/899834620.db2.gz OHZDWYPYFVGHNC-UHFFFAOYSA-N 2 2 293.371 -0.461 20 0 CBADLP CN(CCNC(=O)CCc1c[nH]c[nH+]1)C(=O)CC[NH+](C)C ZINC001387828159 899838204 /nfs/dbraw/zinc/83/82/04/899838204.db2.gz WNQMPAPBJJIDAD-UHFFFAOYSA-N 2 2 295.387 -0.131 20 0 CBADLP CN(CCNC(=O)CCc1c[nH+]c[nH]1)C(=O)CC[NH+](C)C ZINC001387828159 899838210 /nfs/dbraw/zinc/83/82/10/899838210.db2.gz WNQMPAPBJJIDAD-UHFFFAOYSA-N 2 2 295.387 -0.131 20 0 CBADLP CC[C@@H](C(=O)NC1CN(C(=O)Cc2c[nH+]c[nH]2)C1)[NH+](C)C ZINC001387822487 899838260 /nfs/dbraw/zinc/83/82/60/899838260.db2.gz PSELQSUZWJEKOY-LBPRGKRZSA-N 2 2 293.371 -0.381 20 0 CBADLP C[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)CCn2cc[nH+]c2)C1)C(N)=O ZINC001388688744 899900956 /nfs/dbraw/zinc/90/09/56/899900956.db2.gz JXVOSEPCLYSSTF-UTUOFQBUSA-N 2 2 293.371 -0.369 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1CCC[N@H+](CCO)C1 ZINC001389375010 900003435 /nfs/dbraw/zinc/00/34/35/900003435.db2.gz AYQLTEGBKUNVGQ-GFCCVEGCSA-N 2 2 280.372 -0.074 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1CCC[N@@H+](CCO)C1 ZINC001389375010 900003451 /nfs/dbraw/zinc/00/34/51/900003451.db2.gz AYQLTEGBKUNVGQ-GFCCVEGCSA-N 2 2 280.372 -0.074 20 0 CBADLP CNC(=O)C[NH2+][C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001389804596 900074125 /nfs/dbraw/zinc/07/41/25/900074125.db2.gz UYQJDRWIJBWROK-RYUDHWBXSA-N 2 2 293.371 -0.229 20 0 CBADLP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1)C(=O)N(C)C ZINC001389899856 900089162 /nfs/dbraw/zinc/08/91/62/900089162.db2.gz OCQSGWWVONVCJD-DCAQKATOSA-N 2 2 293.371 -0.334 20 0 CBADLP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1)C(=O)N(C)C ZINC001390003646 900104032 /nfs/dbraw/zinc/10/40/32/900104032.db2.gz JLRYLNGDDPIDRI-GARJFASQSA-N 2 2 293.371 -0.334 20 0 CBADLP NC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001390066742 900112740 /nfs/dbraw/zinc/11/27/40/900112740.db2.gz BIIUFXZZZJPRIR-NSHDSACASA-N 2 2 293.371 -0.344 20 0 CBADLP NC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001390066742 900112750 /nfs/dbraw/zinc/11/27/50/900112750.db2.gz BIIUFXZZZJPRIR-NSHDSACASA-N 2 2 293.371 -0.344 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CCC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001390079946 900112884 /nfs/dbraw/zinc/11/28/84/900112884.db2.gz RBYOZPGHTAFFLN-VXGBXAGGSA-N 2 2 293.371 -0.415 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CCC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001390079946 900112888 /nfs/dbraw/zinc/11/28/88/900112888.db2.gz RBYOZPGHTAFFLN-VXGBXAGGSA-N 2 2 293.371 -0.415 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]Cc1cnns1 ZINC001390318242 900135879 /nfs/dbraw/zinc/13/58/79/900135879.db2.gz HCEHXSKQCLGIQQ-ONGXEEELSA-N 2 2 299.400 -0.537 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]Cc1cnns1 ZINC001390318242 900135889 /nfs/dbraw/zinc/13/58/89/900135889.db2.gz HCEHXSKQCLGIQQ-ONGXEEELSA-N 2 2 299.400 -0.537 20 0 CBADLP CC[C@H](C(=O)NC[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1)[NH+](C)C ZINC001390508899 900180895 /nfs/dbraw/zinc/18/08/95/900180895.db2.gz NFKYEUKVTSADQW-VHSXEESVSA-N 2 2 298.391 -0.957 20 0 CBADLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]Cc1ccnn1C ZINC001390516435 900181526 /nfs/dbraw/zinc/18/15/26/900181526.db2.gz XXTCTLIEDHJHQO-NSHDSACASA-N 2 2 290.371 -0.009 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)[NH2+][C@H]1CCNC1=O ZINC001390523996 900183121 /nfs/dbraw/zinc/18/31/21/900183121.db2.gz NEWBPKSGLCTNGO-WPRPVWTQSA-N 2 2 279.344 -0.757 20 0 CBADLP C[C@@H](CNC(=O)CCCn1cc[nH+]c1)[NH2+][C@@H]1CCNC1=O ZINC001390529061 900184542 /nfs/dbraw/zinc/18/45/42/900184542.db2.gz BMWZIQZJTDGDDU-NWDGAFQWSA-N 2 2 293.371 -0.354 20 0 CBADLP C[C@@H](CNC(=O)CCCn1cc[nH+]c1)[NH2+][C@H]1CCNC1=O ZINC001390529063 900184687 /nfs/dbraw/zinc/18/46/87/900184687.db2.gz BMWZIQZJTDGDDU-RYUDHWBXSA-N 2 2 293.371 -0.354 20 0 CBADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+][C@H](C)C(=O)NC1CC1 ZINC001390540562 900188021 /nfs/dbraw/zinc/18/80/21/900188021.db2.gz GILDMNSRQQITQX-GHMZBOCLSA-N 2 2 293.371 -0.356 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](C[NH2+][C@@H](C)C(N)=O)C1 ZINC001390605815 900196131 /nfs/dbraw/zinc/19/61/31/900196131.db2.gz MHYQVHYTTHDHND-QWRGUYRKSA-N 2 2 293.371 -0.427 20 0 CBADLP CN(C(=O)C[N@H+](C)CCNC(=O)CC[NH+](C)C)C1CC1 ZINC001390811902 900254002 /nfs/dbraw/zinc/25/40/02/900254002.db2.gz NEZMELQULJRDBR-UHFFFAOYSA-N 2 2 284.404 -0.393 20 0 CBADLP CN(C(=O)C[N@@H+](C)CCNC(=O)CC[NH+](C)C)C1CC1 ZINC001390811902 900254014 /nfs/dbraw/zinc/25/40/14/900254014.db2.gz NEZMELQULJRDBR-UHFFFAOYSA-N 2 2 284.404 -0.393 20 0 CBADLP CC[C@@H](C(=O)NCC[N@H+](C)CC(=O)N(C)C)[NH+](C)C ZINC001390821687 900257627 /nfs/dbraw/zinc/25/76/27/900257627.db2.gz ZEFYXPDWJBBQCN-NSHDSACASA-N 2 2 272.393 -0.537 20 0 CBADLP CC[C@@H](C(=O)NCC[N@@H+](C)CC(=O)N(C)C)[NH+](C)C ZINC001390821687 900257641 /nfs/dbraw/zinc/25/76/41/900257641.db2.gz ZEFYXPDWJBBQCN-NSHDSACASA-N 2 2 272.393 -0.537 20 0 CBADLP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCC[N@H+](C)CC(N)=O)C1 ZINC001390843388 900265048 /nfs/dbraw/zinc/26/50/48/900265048.db2.gz GMNCPKLQGHQVCF-NEPJUHHUSA-N 2 2 284.404 -0.360 20 0 CBADLP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCC[N@@H+](C)CC(N)=O)C1 ZINC001390843388 900265055 /nfs/dbraw/zinc/26/50/55/900265055.db2.gz GMNCPKLQGHQVCF-NEPJUHHUSA-N 2 2 284.404 -0.360 20 0 CBADLP CC[N@H+](CCNC(=O)CCn1cc[nH+]c1)[C@H]1CCNC1=O ZINC001390968334 900290810 /nfs/dbraw/zinc/29/08/10/900290810.db2.gz PTQFGVYQAMVOKP-LBPRGKRZSA-N 2 2 293.371 -0.400 20 0 CBADLP CC[N@@H+](CCNC(=O)CCn1cc[nH+]c1)[C@H]1CCNC1=O ZINC001390968334 900290820 /nfs/dbraw/zinc/29/08/20/900290820.db2.gz PTQFGVYQAMVOKP-LBPRGKRZSA-N 2 2 293.371 -0.400 20 0 CBADLP Cn1cnnc1C[N@@H+]1CC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001391101759 900308253 /nfs/dbraw/zinc/30/82/53/900308253.db2.gz WXCNCMASJYXDGZ-LBPRGKRZSA-N 2 2 294.403 -0.295 20 0 CBADLP Cn1cnnc1C[N@H+]1CC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001391101759 900308262 /nfs/dbraw/zinc/30/82/62/900308262.db2.gz WXCNCMASJYXDGZ-LBPRGKRZSA-N 2 2 294.403 -0.295 20 0 CBADLP Cn1cnnc1C[N@@H+]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001391101756 900310650 /nfs/dbraw/zinc/31/06/50/900310650.db2.gz WXCNCMASJYXDGZ-GFCCVEGCSA-N 2 2 294.403 -0.295 20 0 CBADLP Cn1cnnc1C[N@H+]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001391101756 900310657 /nfs/dbraw/zinc/31/06/57/900310657.db2.gz WXCNCMASJYXDGZ-GFCCVEGCSA-N 2 2 294.403 -0.295 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+]1CC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001391109701 900312529 /nfs/dbraw/zinc/31/25/29/900312529.db2.gz NDUDTRQEQNXAQL-WDEREUQCSA-N 2 2 293.371 -0.475 20 0 CBADLP CNC(=O)[C@H](C)[N@H+]1CC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001391109701 900312541 /nfs/dbraw/zinc/31/25/41/900312541.db2.gz NDUDTRQEQNXAQL-WDEREUQCSA-N 2 2 293.371 -0.475 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001391108548 900314255 /nfs/dbraw/zinc/31/42/55/900314255.db2.gz HDSNJGSRQHMODX-NSHDSACASA-N 2 2 293.371 -0.555 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001391108548 900314268 /nfs/dbraw/zinc/31/42/68/900314268.db2.gz HDSNJGSRQHMODX-NSHDSACASA-N 2 2 293.371 -0.555 20 0 CBADLP CCC[N@H+](CCNC(=O)Cn1c[nH+]cc1C)CC(=O)NC ZINC001391130736 900320848 /nfs/dbraw/zinc/32/08/48/900320848.db2.gz AOBROYCHKSTFFH-UHFFFAOYSA-N 2 2 295.387 -0.234 20 0 CBADLP CCC[N@@H+](CCNC(=O)Cn1c[nH+]cc1C)CC(=O)NC ZINC001391130736 900320855 /nfs/dbraw/zinc/32/08/55/900320855.db2.gz AOBROYCHKSTFFH-UHFFFAOYSA-N 2 2 295.387 -0.234 20 0 CBADLP COC[C@@H](O)C[NH+]1CC(NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001391446291 900382533 /nfs/dbraw/zinc/38/25/33/900382533.db2.gz GRZLAJIMEDTCOQ-YPMHNXCESA-N 2 2 285.388 -0.864 20 0 CBADLP CCNC(=O)C[NH+]1CC(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001391489114 900394284 /nfs/dbraw/zinc/39/42/84/900394284.db2.gz UNRHUJDCYSPSGH-AWEZNQCLSA-N 2 2 298.431 -0.243 20 0 CBADLP O=C(C[NH+]1CCCC1)NCC1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001391511981 900399104 /nfs/dbraw/zinc/39/91/04/900399104.db2.gz DPYXOGYDCUXBEK-GFCCVEGCSA-N 2 2 280.372 -0.981 20 0 CBADLP C[C@H](O)C[N@@H+]1CC[C@@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001391586944 900414178 /nfs/dbraw/zinc/41/41/78/900414178.db2.gz VDCNEPRTEYMFKH-NWDGAFQWSA-N 2 2 280.372 -0.076 20 0 CBADLP C[C@H](O)C[N@H+]1CC[C@@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001391586944 900414186 /nfs/dbraw/zinc/41/41/86/900414186.db2.gz VDCNEPRTEYMFKH-NWDGAFQWSA-N 2 2 280.372 -0.076 20 0 CBADLP CCN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001391654372 900424651 /nfs/dbraw/zinc/42/46/51/900424651.db2.gz FBTOAYBMQMYOIE-GFCCVEGCSA-N 2 2 282.388 -0.510 20 0 CBADLP CCN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001391654372 900424656 /nfs/dbraw/zinc/42/46/56/900424656.db2.gz FBTOAYBMQMYOIE-GFCCVEGCSA-N 2 2 282.388 -0.510 20 0 CBADLP CC[C@@H](C(=O)N(CC)[C@H]1CC[N@H+](CC(N)=O)C1)[NH+](C)C ZINC001391648321 900426688 /nfs/dbraw/zinc/42/66/88/900426688.db2.gz BAGOMVXXTSKEJR-RYUDHWBXSA-N 2 2 284.404 -0.265 20 0 CBADLP CC[C@@H](C(=O)N(CC)[C@H]1CC[N@@H+](CC(N)=O)C1)[NH+](C)C ZINC001391648321 900426695 /nfs/dbraw/zinc/42/66/95/900426695.db2.gz BAGOMVXXTSKEJR-RYUDHWBXSA-N 2 2 284.404 -0.265 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]1C[NH2+]CC(N)=O ZINC001391860177 900452810 /nfs/dbraw/zinc/45/28/10/900452810.db2.gz BSXDZPRZUSJFSD-SNVBAGLBSA-N 2 2 279.344 -0.673 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]C[C@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001391894226 900461525 /nfs/dbraw/zinc/46/15/25/900461525.db2.gz OAYXDRKSTVTOAO-WDEREUQCSA-N 2 2 295.387 -0.181 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]C[C@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001391894226 900461531 /nfs/dbraw/zinc/46/15/31/900461531.db2.gz OAYXDRKSTVTOAO-WDEREUQCSA-N 2 2 295.387 -0.181 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]C[C@@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001391911391 900463366 /nfs/dbraw/zinc/46/33/66/900463366.db2.gz KCYNBVKNSMIFCX-NEPJUHHUSA-N 2 2 295.387 -0.250 20 0 CBADLP CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001391933574 900465906 /nfs/dbraw/zinc/46/59/06/900465906.db2.gz SYTBVOLEQHUUFH-SNVBAGLBSA-N 2 2 281.360 -0.570 20 0 CBADLP C[C@H](CC(=O)NC[C@H](C)C[NH2+]CC(N)=O)n1cc[nH+]c1 ZINC001391933599 900467002 /nfs/dbraw/zinc/46/70/02/900467002.db2.gz ULGXELCXPBRAKK-GHMZBOCLSA-N 2 2 281.360 -0.339 20 0 CBADLP C[NH+](C)C1(C(=O)NC[C@H]2C[N@H+](CCO)CCO2)CCC1 ZINC001391975214 900480557 /nfs/dbraw/zinc/48/05/57/900480557.db2.gz SBDQRTBBQQGNIE-LBPRGKRZSA-N 2 2 285.388 -0.720 20 0 CBADLP C[NH+](C)C1(C(=O)NC[C@H]2C[N@@H+](CCO)CCO2)CCC1 ZINC001391975214 900480562 /nfs/dbraw/zinc/48/05/62/900480562.db2.gz SBDQRTBBQQGNIE-LBPRGKRZSA-N 2 2 285.388 -0.720 20 0 CBADLP CC(C)NC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)Cn1cc[nH+]c1 ZINC001392138499 900520173 /nfs/dbraw/zinc/52/01/73/900520173.db2.gz CSDGOFYBRJSMFM-GFCCVEGCSA-N 2 2 295.387 -0.156 20 0 CBADLP CC(C)[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+][C@H](C)C(N)=O ZINC001392237278 900536024 /nfs/dbraw/zinc/53/60/24/900536024.db2.gz XOLIPCKZJCUXIB-ZYHUDNBSSA-N 2 2 295.387 -0.054 20 0 CBADLP CC(C)[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH2+][C@H](C)C(N)=O ZINC001392237278 900536031 /nfs/dbraw/zinc/53/60/31/900536031.db2.gz XOLIPCKZJCUXIB-ZYHUDNBSSA-N 2 2 295.387 -0.054 20 0 CBADLP CO[C@H](C)C[NH2+]C[C@@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001392405763 900606324 /nfs/dbraw/zinc/60/63/24/900606324.db2.gz LNXAPLABDMFTDB-MWLCHTKSSA-N 2 2 270.333 -0.946 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H](O)C[NH2+]C[C@@H]1CCOC1 ZINC001392412013 900608197 /nfs/dbraw/zinc/60/81/97/900608197.db2.gz SJJJNEOPTUFAJN-WDEREUQCSA-N 2 2 282.344 -0.945 20 0 CBADLP CC[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1nc(C)no1)[NH+](C)C ZINC001392425132 900614937 /nfs/dbraw/zinc/61/49/37/900614937.db2.gz OYSWBWUFMIYBBX-GHMZBOCLSA-N 2 2 299.375 -0.715 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001392498212 900637729 /nfs/dbraw/zinc/63/77/29/900637729.db2.gz RQPXMGAJOJKTED-GHMZBOCLSA-N 2 2 295.387 -0.419 20 0 CBADLP C[C@H](C[NH2+]Cc1cn(C)nn1)NC(=O)CCn1cc[nH+]c1 ZINC001392506223 900641227 /nfs/dbraw/zinc/64/12/27/900641227.db2.gz QRRVDFIGKOCEIF-LLVKDONJSA-N 2 2 291.359 -0.304 20 0 CBADLP O=C(Cc1cn2c([nH+]1)CCCC2)NC[C@H]1CC[N@H+]1CCO ZINC001392835227 900738025 /nfs/dbraw/zinc/73/80/25/900738025.db2.gz MSNCUTRVCOAXGB-CYBMUJFWSA-N 2 2 292.383 -0.055 20 0 CBADLP O=C(Cc1cn2c([nH+]1)CCCC2)NC[C@H]1CC[N@@H+]1CCO ZINC001392835227 900738034 /nfs/dbraw/zinc/73/80/34/900738034.db2.gz MSNCUTRVCOAXGB-CYBMUJFWSA-N 2 2 292.383 -0.055 20 0 CBADLP CC[N@H+](C)CCC(=O)NC[C@H]1CC[NH+]1[C@@H]1CCNC1=O ZINC001392871225 900743636 /nfs/dbraw/zinc/74/36/36/900743636.db2.gz UPWPHOIQCZMQEJ-VXGBXAGGSA-N 2 2 282.388 -0.593 20 0 CBADLP CC[N@@H+](C)CCC(=O)NC[C@H]1CC[NH+]1[C@@H]1CCNC1=O ZINC001392871225 900743645 /nfs/dbraw/zinc/74/36/45/900743645.db2.gz UPWPHOIQCZMQEJ-VXGBXAGGSA-N 2 2 282.388 -0.593 20 0 CBADLP CC[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+]1[C@@H]1CCNC1=O ZINC001392871225 900743653 /nfs/dbraw/zinc/74/36/53/900743653.db2.gz UPWPHOIQCZMQEJ-VXGBXAGGSA-N 2 2 282.388 -0.593 20 0 CBADLP CC[NH+](C)CCC(=O)NC[C@H]1CC[N@H+]1[C@@H]1CCNC1=O ZINC001392871225 900743660 /nfs/dbraw/zinc/74/36/60/900743660.db2.gz UPWPHOIQCZMQEJ-VXGBXAGGSA-N 2 2 282.388 -0.593 20 0 CBADLP COCC[N@@H+]1CC[C@@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001392875303 900746874 /nfs/dbraw/zinc/74/68/74/900746874.db2.gz VWJVMYHWJXRFIM-CYBMUJFWSA-N 2 2 285.388 -0.454 20 0 CBADLP COCC[N@H+]1CC[C@@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001392875303 900746881 /nfs/dbraw/zinc/74/68/81/900746881.db2.gz VWJVMYHWJXRFIM-CYBMUJFWSA-N 2 2 285.388 -0.454 20 0 CBADLP CCC[N@H+](C)CC(=O)NC[C@H]1CC[NH+]1[C@@H]1CCNC1=O ZINC001392873133 900747326 /nfs/dbraw/zinc/74/73/26/900747326.db2.gz QBBJEALSAWWYLQ-VXGBXAGGSA-N 2 2 282.388 -0.593 20 0 CBADLP CCC[N@@H+](C)CC(=O)NC[C@H]1CC[NH+]1[C@@H]1CCNC1=O ZINC001392873133 900747334 /nfs/dbraw/zinc/74/73/34/900747334.db2.gz QBBJEALSAWWYLQ-VXGBXAGGSA-N 2 2 282.388 -0.593 20 0 CBADLP CCC[NH+](C)CC(=O)NC[C@H]1CC[N@@H+]1[C@@H]1CCNC1=O ZINC001392873133 900747342 /nfs/dbraw/zinc/74/73/42/900747342.db2.gz QBBJEALSAWWYLQ-VXGBXAGGSA-N 2 2 282.388 -0.593 20 0 CBADLP CCC[NH+](C)CC(=O)NC[C@H]1CC[N@H+]1[C@@H]1CCNC1=O ZINC001392873133 900747347 /nfs/dbraw/zinc/74/73/47/900747347.db2.gz QBBJEALSAWWYLQ-VXGBXAGGSA-N 2 2 282.388 -0.593 20 0 CBADLP CCC[N@H+](C)CC(=O)NC[C@@H]1CC[NH+]1[C@@H]1CCNC1=O ZINC001392873127 900749654 /nfs/dbraw/zinc/74/96/54/900749654.db2.gz QBBJEALSAWWYLQ-NWDGAFQWSA-N 2 2 282.388 -0.593 20 0 CBADLP CCC[N@@H+](C)CC(=O)NC[C@@H]1CC[NH+]1[C@@H]1CCNC1=O ZINC001392873127 900749662 /nfs/dbraw/zinc/74/96/62/900749662.db2.gz QBBJEALSAWWYLQ-NWDGAFQWSA-N 2 2 282.388 -0.593 20 0 CBADLP CCC[NH+](C)CC(=O)NC[C@@H]1CC[N@@H+]1[C@@H]1CCNC1=O ZINC001392873127 900749670 /nfs/dbraw/zinc/74/96/70/900749670.db2.gz QBBJEALSAWWYLQ-NWDGAFQWSA-N 2 2 282.388 -0.593 20 0 CBADLP CCC[NH+](C)CC(=O)NC[C@@H]1CC[N@H+]1[C@@H]1CCNC1=O ZINC001392873127 900749676 /nfs/dbraw/zinc/74/96/76/900749676.db2.gz QBBJEALSAWWYLQ-NWDGAFQWSA-N 2 2 282.388 -0.593 20 0 CBADLP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@]1(O)CC[NH+](CCF)C1 ZINC001393250510 900815685 /nfs/dbraw/zinc/81/56/85/900815685.db2.gz UCEDHYUUVMMUCS-TZMCWYRMSA-N 2 2 287.379 -0.007 20 0 CBADLP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@]1(O)CC[NH+](CCF)C1 ZINC001393250510 900815687 /nfs/dbraw/zinc/81/56/87/900815687.db2.gz UCEDHYUUVMMUCS-TZMCWYRMSA-N 2 2 287.379 -0.007 20 0 CBADLP C[NH+]1CCCC[C@@H]1C(=O)NC[C@]1(O)CC[N@H+](CCF)C1 ZINC001393250510 900815693 /nfs/dbraw/zinc/81/56/93/900815693.db2.gz UCEDHYUUVMMUCS-TZMCWYRMSA-N 2 2 287.379 -0.007 20 0 CBADLP C[NH+]1CCCC[C@@H]1C(=O)NC[C@]1(O)CC[N@@H+](CCF)C1 ZINC001393250510 900815697 /nfs/dbraw/zinc/81/56/97/900815697.db2.gz UCEDHYUUVMMUCS-TZMCWYRMSA-N 2 2 287.379 -0.007 20 0 CBADLP CC[C@H](C[NH+]1CC(O)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1)OC ZINC001393304380 900835166 /nfs/dbraw/zinc/83/51/66/900835166.db2.gz PEVMGOSYBRGAQV-OLZOCXBDSA-N 2 2 299.415 -0.332 20 0 CBADLP CC[C@H](C[NH+]1CC(O)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1)OC ZINC001393304380 900835171 /nfs/dbraw/zinc/83/51/71/900835171.db2.gz PEVMGOSYBRGAQV-OLZOCXBDSA-N 2 2 299.415 -0.332 20 0 CBADLP COC[C@@H](C)[NH+]1CC(O)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001393339597 900844067 /nfs/dbraw/zinc/84/40/67/900844067.db2.gz NLAHYWKFQULULT-GFCCVEGCSA-N 2 2 299.415 -0.474 20 0 CBADLP CO[C@@H](C)C[NH+]1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001393353523 900845773 /nfs/dbraw/zinc/84/57/73/900845773.db2.gz JMBLLLXJCMFOPK-NWDGAFQWSA-N 2 2 285.388 -0.864 20 0 CBADLP CO[C@@H](C)C[NH+]1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001393353523 900845781 /nfs/dbraw/zinc/84/57/81/900845781.db2.gz JMBLLLXJCMFOPK-NWDGAFQWSA-N 2 2 285.388 -0.864 20 0 CBADLP C[C@H]([NH2+]CC(N)=O)[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001393383451 900849860 /nfs/dbraw/zinc/84/98/60/900849860.db2.gz IUOGVSIYAMSSGO-WDEREUQCSA-N 2 2 293.371 -0.726 20 0 CBADLP C[C@H]([NH2+]CC(N)=O)[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001393383449 900850230 /nfs/dbraw/zinc/85/02/30/900850230.db2.gz IUOGVSIYAMSSGO-QWRGUYRKSA-N 2 2 293.371 -0.726 20 0 CBADLP C[C@H](CC(=O)NCC1([NH2+]CC(N)=O)CCC1)n1cc[nH+]c1 ZINC001393565098 900873991 /nfs/dbraw/zinc/87/39/91/900873991.db2.gz FLHZZYAWBPZULQ-LLVKDONJSA-N 2 2 293.371 -0.052 20 0 CBADLP C[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1[NH2+]CC(=O)N(C)C ZINC001393746374 900902918 /nfs/dbraw/zinc/90/29/18/900902918.db2.gz UAHBTUJIZBBBAT-RYUDHWBXSA-N 2 2 293.371 -0.592 20 0 CBADLP C[C@@H](O)C[NH+]1CC(CCO)(NC(=O)C[NH+]2CCCC2)C1 ZINC001394165921 900992248 /nfs/dbraw/zinc/99/22/48/900992248.db2.gz INGFGCXSCHBQIR-GFCCVEGCSA-N 2 2 285.388 -0.984 20 0 CBADLP CN(C(=O)Cn1cc[nH+]c1)[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001394444544 901029024 /nfs/dbraw/zinc/02/90/24/901029024.db2.gz ZSPNEBPQUFQYQD-LLVKDONJSA-N 2 2 279.344 -0.805 20 0 CBADLP O=C(NC[C@H](CO)[NH2+]CC1CC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001394608191 901087405 /nfs/dbraw/zinc/08/74/05/901087405.db2.gz QIUCEHSCNRNQHY-CHWSQXEVSA-N 2 2 292.383 -0.078 20 0 CBADLP C[N@@H+]1CC[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc2cscn2)C1 ZINC001394653576 901108969 /nfs/dbraw/zinc/10/89/69/901108969.db2.gz OEIYGHIVJSYBBT-QWRGUYRKSA-N 2 2 298.412 -0.339 20 0 CBADLP C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc2cscn2)C1 ZINC001394653576 901108975 /nfs/dbraw/zinc/10/89/75/901108975.db2.gz OEIYGHIVJSYBBT-QWRGUYRKSA-N 2 2 298.412 -0.339 20 0 CBADLP CCNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001394664157 901112286 /nfs/dbraw/zinc/11/22/86/901112286.db2.gz BEIHEFPZEBQSNT-CMPLNLGQSA-N 2 2 293.371 -0.333 20 0 CBADLP CNC(=O)C[NH2+]C[C@H]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001394720685 901123122 /nfs/dbraw/zinc/12/31/22/901123122.db2.gz WYUXYXDHKPHKPD-WDEREUQCSA-N 2 2 293.371 -0.427 20 0 CBADLP CNC(=O)C[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001394720681 901123213 /nfs/dbraw/zinc/12/32/13/901123213.db2.gz WYUXYXDHKPHKPD-QWRGUYRKSA-N 2 2 293.371 -0.427 20 0 CBADLP CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001394741716 901136599 /nfs/dbraw/zinc/13/65/99/901136599.db2.gz KBLICYCSWJRIIK-AAEUAGOBSA-N 2 2 280.372 -0.126 20 0 CBADLP CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001394741643 901137316 /nfs/dbraw/zinc/13/73/16/901137316.db2.gz JVBUGIWCMXWSFS-NEPJUHHUSA-N 2 2 280.372 -0.126 20 0 CBADLP COC[C@@H](C)[N@H+](C)C[C@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001394786732 901153979 /nfs/dbraw/zinc/15/39/79/901153979.db2.gz SULXUHKMKFGQLX-YPMHNXCESA-N 2 2 298.387 -0.262 20 0 CBADLP COC[C@@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001394786732 901153986 /nfs/dbraw/zinc/15/39/86/901153986.db2.gz SULXUHKMKFGQLX-YPMHNXCESA-N 2 2 298.387 -0.262 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@@H](O)C[N@H+](C)CCCO ZINC001394780199 901156222 /nfs/dbraw/zinc/15/62/22/901156222.db2.gz DZINHECJAURRKN-LBPRGKRZSA-N 2 2 298.387 -0.606 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@@H](O)C[N@@H+](C)CCCO ZINC001394780199 901156230 /nfs/dbraw/zinc/15/62/30/901156230.db2.gz DZINHECJAURRKN-LBPRGKRZSA-N 2 2 298.387 -0.606 20 0 CBADLP CC(C)N(CC[N@H+](C)CCO)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001394800042 901158291 /nfs/dbraw/zinc/15/82/91/901158291.db2.gz BZJXJUQUMZNXCY-CYBMUJFWSA-N 2 2 287.404 -0.522 20 0 CBADLP CC(C)N(CC[N@@H+](C)CCO)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001394800042 901158299 /nfs/dbraw/zinc/15/82/99/901158299.db2.gz BZJXJUQUMZNXCY-CYBMUJFWSA-N 2 2 287.404 -0.522 20 0 CBADLP CC(C)N(CC[NH+](C)CCO)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001394800042 901158305 /nfs/dbraw/zinc/15/83/05/901158305.db2.gz BZJXJUQUMZNXCY-CYBMUJFWSA-N 2 2 287.404 -0.522 20 0 CBADLP CC(C)N(CC[NH+](C)CCO)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001394800042 901158314 /nfs/dbraw/zinc/15/83/14/901158314.db2.gz BZJXJUQUMZNXCY-CYBMUJFWSA-N 2 2 287.404 -0.522 20 0 CBADLP C[C@H](CNC(=O)CC[NH+](C)C)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001395174280 901185379 /nfs/dbraw/zinc/18/53/79/901185379.db2.gz YASGXKONJRBOLN-LLVKDONJSA-N 2 2 295.387 -0.133 20 0 CBADLP CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](CC)[NH+](C)C ZINC001397561456 901431159 /nfs/dbraw/zinc/43/11/59/901431159.db2.gz IGGMMMQUQUNKTG-OLZOCXBDSA-N 2 2 298.431 -0.005 20 0 CBADLP CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](CC)[NH+](C)C ZINC001397561456 901431166 /nfs/dbraw/zinc/43/11/66/901431166.db2.gz IGGMMMQUQUNKTG-OLZOCXBDSA-N 2 2 298.431 -0.005 20 0 CBADLP CC[NH+](CC)CC(=O)NCCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001397920542 901476953 /nfs/dbraw/zinc/47/69/53/901476953.db2.gz UADGMSHBMSEYTA-UHFFFAOYSA-N 2 2 295.387 -0.131 20 0 CBADLP CCC[N@H+](C)CC(=O)NCCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001397988944 901485683 /nfs/dbraw/zinc/48/56/83/901485683.db2.gz XEVAIJRCAAZSHJ-UHFFFAOYSA-N 2 2 295.387 -0.131 20 0 CBADLP CCC[N@@H+](C)CC(=O)NCCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001397988944 901485690 /nfs/dbraw/zinc/48/56/90/901485690.db2.gz XEVAIJRCAAZSHJ-UHFFFAOYSA-N 2 2 295.387 -0.131 20 0 CBADLP CCN(CCNC(=O)Cc1c[nH]c[nH+]1)C(=O)CC[NH+](C)C ZINC001398150876 901501729 /nfs/dbraw/zinc/50/17/29/901501729.db2.gz FUYKGFPLZIMQLT-UHFFFAOYSA-N 2 2 295.387 -0.131 20 0 CBADLP C[C@@H]([NH2+]CC(N)=O)[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001398194646 901504513 /nfs/dbraw/zinc/50/45/13/901504513.db2.gz BKJJALWGBAZDCG-NEPJUHHUSA-N 2 2 293.371 -0.272 20 0 CBADLP C[C@H]([NH2+]CC(N)=O)[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001398194653 901506402 /nfs/dbraw/zinc/50/64/02/901506402.db2.gz BKJJALWGBAZDCG-RYUDHWBXSA-N 2 2 293.371 -0.272 20 0 CBADLP C[C@H]([NH2+][C@H](CNC(=O)CCn1cc[nH+]c1)C1CC1)C(N)=O ZINC001398442001 901536780 /nfs/dbraw/zinc/53/67/80/901536780.db2.gz ZZNUFCSCDLGJIE-CMPLNLGQSA-N 2 2 293.371 -0.369 20 0 CBADLP CCN(C)C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001398610800 901572662 /nfs/dbraw/zinc/57/26/62/901572662.db2.gz ILRFEMSLXPOSFX-PHIMTYICSA-N 2 2 293.371 -0.333 20 0 CBADLP C[C@H](CCNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CC(=O)N1CCC1 ZINC001399408972 901710862 /nfs/dbraw/zinc/71/08/62/901710862.db2.gz WLWNIJIBLCHWCM-LLVKDONJSA-N 2 2 293.371 -0.331 20 0 CBADLP CCNC(=O)C[N@H+](C)CCNC(=O)C[NH+]1CCCC1 ZINC001399641403 901762955 /nfs/dbraw/zinc/76/29/55/901762955.db2.gz BYFYYBSGWHVCJI-UHFFFAOYSA-N 2 2 270.377 -0.734 20 0 CBADLP CCNC(=O)C[N@@H+](C)CCNC(=O)C[NH+]1CCCC1 ZINC001399641403 901762965 /nfs/dbraw/zinc/76/29/65/901762965.db2.gz BYFYYBSGWHVCJI-UHFFFAOYSA-N 2 2 270.377 -0.734 20 0 CBADLP CCNC(=O)C[N@H+](C)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001399646582 901767235 /nfs/dbraw/zinc/76/72/35/901767235.db2.gz UVQILIMSODFQLW-LBPRGKRZSA-N 2 2 284.404 -0.488 20 0 CBADLP CCNC(=O)C[N@@H+](C)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001399646582 901767240 /nfs/dbraw/zinc/76/72/40/901767240.db2.gz UVQILIMSODFQLW-LBPRGKRZSA-N 2 2 284.404 -0.488 20 0 CBADLP CCNC(=O)C[NH+](C)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001399646582 901767250 /nfs/dbraw/zinc/76/72/50/901767250.db2.gz UVQILIMSODFQLW-LBPRGKRZSA-N 2 2 284.404 -0.488 20 0 CBADLP CCNC(=O)C[NH+](C)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001399646582 901767260 /nfs/dbraw/zinc/76/72/60/901767260.db2.gz UVQILIMSODFQLW-LBPRGKRZSA-N 2 2 284.404 -0.488 20 0 CBADLP CC[C@H](C(=O)NCC[N@@H+](CC(N)=O)C1CC1)[NH+](C)C ZINC001400001526 901850748 /nfs/dbraw/zinc/85/07/48/901850748.db2.gz BKBPCSJPOUGNPH-LLVKDONJSA-N 2 2 270.377 -0.608 20 0 CBADLP CCC[N@H+](CCNC(=O)Cc1c[nH+]cn1C)[C@@H](C)C(N)=O ZINC001399980734 901850571 /nfs/dbraw/zinc/85/05/71/901850571.db2.gz RNSHCMLPYUMBAI-NSHDSACASA-N 2 2 295.387 -0.335 20 0 CBADLP CCC[N@@H+](CCNC(=O)Cc1c[nH+]cn1C)[C@@H](C)C(N)=O ZINC001399980734 901850582 /nfs/dbraw/zinc/85/05/82/901850582.db2.gz RNSHCMLPYUMBAI-NSHDSACASA-N 2 2 295.387 -0.335 20 0 CBADLP CC[C@H](C(=O)NCC[N@H+](CC(N)=O)C1CC1)[NH+](C)C ZINC001400001526 901850743 /nfs/dbraw/zinc/85/07/43/901850743.db2.gz BKBPCSJPOUGNPH-LLVKDONJSA-N 2 2 270.377 -0.608 20 0 CBADLP C[C@H]([NH2+]CCN(C)C(=O)Cc1c[nH+]cn1C)C(=O)N(C)C ZINC001400066523 901870455 /nfs/dbraw/zinc/87/04/55/901870455.db2.gz OPAVBRFFQWXBMA-NSHDSACASA-N 2 2 295.387 -0.513 20 0 CBADLP CC[N@H+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2[C@H](C)C(N)=O ZINC001400117968 901880327 /nfs/dbraw/zinc/88/03/27/901880327.db2.gz XKZQWLACRFXVAU-UPJWGTAASA-N 2 2 296.415 -0.123 20 0 CBADLP CC[N@@H+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2[C@H](C)C(N)=O ZINC001400117968 901880341 /nfs/dbraw/zinc/88/03/41/901880341.db2.gz XKZQWLACRFXVAU-UPJWGTAASA-N 2 2 296.415 -0.123 20 0 CBADLP CC[NH+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)C(N)=O ZINC001400117968 901880349 /nfs/dbraw/zinc/88/03/49/901880349.db2.gz XKZQWLACRFXVAU-UPJWGTAASA-N 2 2 296.415 -0.123 20 0 CBADLP CC[NH+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(N)=O ZINC001400117968 901880359 /nfs/dbraw/zinc/88/03/59/901880359.db2.gz XKZQWLACRFXVAU-UPJWGTAASA-N 2 2 296.415 -0.123 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001400228321 901900373 /nfs/dbraw/zinc/90/03/73/901900373.db2.gz OTPKFCHGUIEBGM-NSHDSACASA-N 2 2 295.387 -0.087 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N[C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001400228321 901900380 /nfs/dbraw/zinc/90/03/80/901900380.db2.gz OTPKFCHGUIEBGM-NSHDSACASA-N 2 2 295.387 -0.087 20 0 CBADLP C[NH+](C)CCCC(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001400297263 901911845 /nfs/dbraw/zinc/91/18/45/901911845.db2.gz NXPRSMNRJHNMPP-NSHDSACASA-N 2 2 270.377 -0.606 20 0 CBADLP C[NH+](C)CCCC(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001400297263 901911855 /nfs/dbraw/zinc/91/18/55/901911855.db2.gz NXPRSMNRJHNMPP-NSHDSACASA-N 2 2 270.377 -0.606 20 0 CBADLP CO[C@@H](C)C[NH+]1CC(NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001400448523 901941969 /nfs/dbraw/zinc/94/19/69/901941969.db2.gz JCSHGPAFOBWPMM-STQMWFEESA-N 2 2 299.415 -0.210 20 0 CBADLP C[C@@H](O)C[NH+]1CC(CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001400522117 901959169 /nfs/dbraw/zinc/95/91/69/901959169.db2.gz FZMBOZOQIPCRFG-LLVKDONJSA-N 2 2 280.372 -0.219 20 0 CBADLP CC[C@H](C)NC(=O)C[NH+]1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001400524675 901959366 /nfs/dbraw/zinc/95/93/66/901959366.db2.gz JBKPGJPHGZAQIA-LBPRGKRZSA-N 2 2 298.431 -0.099 20 0 CBADLP CC(C)[C@H](C(=O)NCC1C[NH+]([C@H]2CCNC2=O)C1)[NH+](C)C ZINC001400534130 901963962 /nfs/dbraw/zinc/96/39/62/901963962.db2.gz RIBVEWIDTTXLMN-QWHCGFSZSA-N 2 2 296.415 -0.491 20 0 CBADLP CCNC(=O)C[NH+]1CC(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001400532392 901964741 /nfs/dbraw/zinc/96/47/41/901964741.db2.gz RIWOIYGVMJHAGT-CYBMUJFWSA-N 2 2 296.415 -0.345 20 0 CBADLP CCNC(=O)C[NH+]1CC(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001400532392 901964746 /nfs/dbraw/zinc/96/47/46/901964746.db2.gz RIWOIYGVMJHAGT-CYBMUJFWSA-N 2 2 296.415 -0.345 20 0 CBADLP C[NH+](C)CCCC(=O)NCC1C[NH+](CC(=O)NC2CC2)C1 ZINC001400533679 901965346 /nfs/dbraw/zinc/96/53/46/901965346.db2.gz XPAPNUCCUMJLSE-UHFFFAOYSA-N 2 2 296.415 -0.345 20 0 CBADLP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2cnnn2C)C1 ZINC001400623621 901981642 /nfs/dbraw/zinc/98/16/42/901981642.db2.gz HAJTZUWDYMNKFR-LBPRGKRZSA-N 2 2 294.403 -0.153 20 0 CBADLP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2cnnn2C)C1 ZINC001400623621 901981657 /nfs/dbraw/zinc/98/16/57/901981657.db2.gz HAJTZUWDYMNKFR-LBPRGKRZSA-N 2 2 294.403 -0.153 20 0 CBADLP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](Cc2cnnn2C)C1 ZINC001400623621 901981671 /nfs/dbraw/zinc/98/16/71/901981671.db2.gz HAJTZUWDYMNKFR-LBPRGKRZSA-N 2 2 294.403 -0.153 20 0 CBADLP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](Cc2cnnn2C)C1 ZINC001400623621 901981681 /nfs/dbraw/zinc/98/16/81/901981681.db2.gz HAJTZUWDYMNKFR-LBPRGKRZSA-N 2 2 294.403 -0.153 20 0 CBADLP CC(C)[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](CC(N)=O)C1)[NH+](C)C ZINC001400737827 902010395 /nfs/dbraw/zinc/01/03/95/902010395.db2.gz GGVOXYFAVDDLFG-YPMHNXCESA-N 2 2 284.404 -0.409 20 0 CBADLP CC(C)[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](CC(N)=O)C1)[NH+](C)C ZINC001400737827 902010386 /nfs/dbraw/zinc/01/03/86/902010386.db2.gz GGVOXYFAVDDLFG-YPMHNXCESA-N 2 2 284.404 -0.409 20 0 CBADLP CC[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@@H]1CCCNC1=O ZINC001400870920 902031273 /nfs/dbraw/zinc/03/12/73/902031273.db2.gz WLBVMLICNJXWAI-WDEREUQCSA-N 2 2 293.371 -0.285 20 0 CBADLP CC[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CC(=O)NC1CC1 ZINC001400911049 902036432 /nfs/dbraw/zinc/03/64/32/902036432.db2.gz DGCFFUTZXXNJMJ-NSHDSACASA-N 2 2 293.371 -0.354 20 0 CBADLP CC[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+][C@@H](C)C(=O)N(C)C ZINC001400913293 902036584 /nfs/dbraw/zinc/03/65/84/902036584.db2.gz GKODSYIFZDAENT-NWDGAFQWSA-N 2 2 295.387 -0.156 20 0 CBADLP CC[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1cnnn1C ZINC001400908201 902037617 /nfs/dbraw/zinc/03/76/17/902037617.db2.gz BGOZXEOZRGCKPX-NSHDSACASA-N 2 2 291.359 -0.304 20 0 CBADLP C[C@H]([NH2+]C[C@@](C)(NC(=O)Cn1cc[nH+]c1)C1CC1)C(N)=O ZINC001401027476 902042918 /nfs/dbraw/zinc/04/29/18/902042918.db2.gz YPERLQNQIOSHCM-IINYFYTJSA-N 2 2 293.371 -0.369 20 0 CBADLP C[C@@H]([NH2+]C[C@](C)(NC(=O)Cn1cc[nH+]c1)C1CC1)C(N)=O ZINC001401027481 902043542 /nfs/dbraw/zinc/04/35/42/902043542.db2.gz YPERLQNQIOSHCM-YGRLFVJLSA-N 2 2 293.371 -0.369 20 0 CBADLP CC(C)NC(=O)C[NH2+]C[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001401149455 902063369 /nfs/dbraw/zinc/06/33/69/902063369.db2.gz ZHUJLUKUUZIZOF-NSHDSACASA-N 2 2 295.387 -0.181 20 0 CBADLP COCC[N@@H+]1CCO[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001401160029 902067657 /nfs/dbraw/zinc/06/76/57/902067657.db2.gz IREPSHLHYDFMEN-ZDUSSCGKSA-N 2 2 299.415 -0.066 20 0 CBADLP COCC[N@H+]1CCO[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001401160029 902067664 /nfs/dbraw/zinc/06/76/64/902067664.db2.gz IREPSHLHYDFMEN-ZDUSSCGKSA-N 2 2 299.415 -0.066 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001401164762 902072409 /nfs/dbraw/zinc/07/24/09/902072409.db2.gz RUIHPRJCIZFMLU-LBPRGKRZSA-N 2 2 282.344 -0.999 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001401164762 902072420 /nfs/dbraw/zinc/07/24/20/902072420.db2.gz RUIHPRJCIZFMLU-LBPRGKRZSA-N 2 2 282.344 -0.999 20 0 CBADLP C[C@H](C[NH2+]Cc1cnnn1C)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001401243205 902091401 /nfs/dbraw/zinc/09/14/01/902091401.db2.gz NIQPZLWQQXJVEU-SNVBAGLBSA-N 2 2 291.359 -0.283 20 0 CBADLP CC(C)C[C@H](C[NH2+]CC(N)=O)NC(=O)Cc1c[nH]c[nH+]1 ZINC001401279277 902100852 /nfs/dbraw/zinc/10/08/52/902100852.db2.gz IAYISGDWDMJXCK-LLVKDONJSA-N 2 2 281.360 -0.442 20 0 CBADLP CNC(=O)C[N@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001401371116 902113650 /nfs/dbraw/zinc/11/36/50/902113650.db2.gz OZXOGJOIZZOYHZ-CYBMUJFWSA-N 2 2 298.431 -0.005 20 0 CBADLP CNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001401371116 902113666 /nfs/dbraw/zinc/11/36/66/902113666.db2.gz OZXOGJOIZZOYHZ-CYBMUJFWSA-N 2 2 298.431 -0.005 20 0 CBADLP CNC(=O)C[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001401371116 902113678 /nfs/dbraw/zinc/11/36/78/902113678.db2.gz OZXOGJOIZZOYHZ-CYBMUJFWSA-N 2 2 298.431 -0.005 20 0 CBADLP CNC(=O)C[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001401371116 902113690 /nfs/dbraw/zinc/11/36/90/902113690.db2.gz OZXOGJOIZZOYHZ-CYBMUJFWSA-N 2 2 298.431 -0.005 20 0 CBADLP CNC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001401371122 902113835 /nfs/dbraw/zinc/11/38/35/902113835.db2.gz OZXOGJOIZZOYHZ-ZDUSSCGKSA-N 2 2 298.431 -0.005 20 0 CBADLP CNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001401371122 902113837 /nfs/dbraw/zinc/11/38/37/902113837.db2.gz OZXOGJOIZZOYHZ-ZDUSSCGKSA-N 2 2 298.431 -0.005 20 0 CBADLP CNC(=O)C[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001401371122 902113850 /nfs/dbraw/zinc/11/38/50/902113850.db2.gz OZXOGJOIZZOYHZ-ZDUSSCGKSA-N 2 2 298.431 -0.005 20 0 CBADLP CNC(=O)C[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001401371122 902113860 /nfs/dbraw/zinc/11/38/60/902113860.db2.gz OZXOGJOIZZOYHZ-ZDUSSCGKSA-N 2 2 298.431 -0.005 20 0 CBADLP C[C@H](CC[NH2+][C@H]1CCCNC1=O)NC(=O)Cc1c[nH]c[nH+]1 ZINC001401592766 902179282 /nfs/dbraw/zinc/17/92/82/902179282.db2.gz QDFXJPPUGUTWKL-PWSUYJOCSA-N 2 2 293.371 -0.285 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)CC[NH2+][C@@H]1CCNC1=O ZINC001401598836 902181077 /nfs/dbraw/zinc/18/10/77/902181077.db2.gz HJTPRVDXBHRSQU-MWLCHTKSSA-N 2 2 293.371 -0.366 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[NH2+]Cc1ncnn1C ZINC001401639123 902204810 /nfs/dbraw/zinc/20/48/10/902204810.db2.gz XNHHMVWKPGWZTI-SNVBAGLBSA-N 2 2 291.359 -0.385 20 0 CBADLP C[C@@H](C[NH2+]Cc1cncn1C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001401664607 902211504 /nfs/dbraw/zinc/21/15/04/902211504.db2.gz BOYLDNVKFSASMO-AAEUAGOBSA-N 2 2 295.387 -0.655 20 0 CBADLP C[C@@H](C[NH2+]Cc1cncn1C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001401664607 902211513 /nfs/dbraw/zinc/21/15/13/902211513.db2.gz BOYLDNVKFSASMO-AAEUAGOBSA-N 2 2 295.387 -0.655 20 0 CBADLP C[C@@H](C[NH2+]CC(N)=O)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001401693601 902233900 /nfs/dbraw/zinc/23/39/00/902233900.db2.gz LXROBKAIBWTEBQ-VHSXEESVSA-N 2 2 279.344 -0.975 20 0 CBADLP C[C@@H](C[NH2+][C@@H]1CCN(C)C1=O)NC(=O)Cc1[nH]cc[nH+]1 ZINC001401714551 902244252 /nfs/dbraw/zinc/24/42/52/902244252.db2.gz ZLSUGQHMGMLZGS-VHSXEESVSA-N 2 2 279.344 -0.723 20 0 CBADLP C[C@@H](C[NH2+]CC(=O)N1CCCC1)NC(=O)Cn1cc[nH+]c1 ZINC001401728543 902248728 /nfs/dbraw/zinc/24/87/28/902248728.db2.gz PMRQZPUFAPKAJY-LBPRGKRZSA-N 2 2 293.371 -0.400 20 0 CBADLP C[C@@H](C[N@H+](C)CCO)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001401762210 902264762 /nfs/dbraw/zinc/26/47/62/902264762.db2.gz NQVZOADYBFICRN-NWDGAFQWSA-N 2 2 280.372 -0.126 20 0 CBADLP C[C@@H](C[N@@H+](C)CCO)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001401762210 902264772 /nfs/dbraw/zinc/26/47/72/902264772.db2.gz NQVZOADYBFICRN-NWDGAFQWSA-N 2 2 280.372 -0.126 20 0 CBADLP CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001402082797 902349143 /nfs/dbraw/zinc/34/91/43/902349143.db2.gz CPHUWBWDFCAUKS-GFCCVEGCSA-N 2 2 296.415 -0.345 20 0 CBADLP CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001402082797 902349159 /nfs/dbraw/zinc/34/91/59/902349159.db2.gz CPHUWBWDFCAUKS-GFCCVEGCSA-N 2 2 296.415 -0.345 20 0 CBADLP CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001402084545 902352709 /nfs/dbraw/zinc/35/27/09/902352709.db2.gz XBMMBUTYPQAPIA-CHWSQXEVSA-N 2 2 296.415 -0.203 20 0 CBADLP CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001402084545 902352719 /nfs/dbraw/zinc/35/27/19/902352719.db2.gz XBMMBUTYPQAPIA-CHWSQXEVSA-N 2 2 296.415 -0.203 20 0 CBADLP CCNC(=O)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001402084545 902352727 /nfs/dbraw/zinc/35/27/27/902352727.db2.gz XBMMBUTYPQAPIA-CHWSQXEVSA-N 2 2 296.415 -0.203 20 0 CBADLP CCNC(=O)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001402084545 902352738 /nfs/dbraw/zinc/35/27/38/902352738.db2.gz XBMMBUTYPQAPIA-CHWSQXEVSA-N 2 2 296.415 -0.203 20 0 CBADLP CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001402096852 902357054 /nfs/dbraw/zinc/35/70/54/902357054.db2.gz CMUHGYIDVSVSDS-CYBMUJFWSA-N 2 2 296.415 -0.201 20 0 CBADLP CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001402096852 902357065 /nfs/dbraw/zinc/35/70/65/902357065.db2.gz CMUHGYIDVSVSDS-CYBMUJFWSA-N 2 2 296.415 -0.201 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001402129873 902365567 /nfs/dbraw/zinc/36/55/67/902365567.db2.gz DEANXTJWDIULGP-CQSZACIVSA-N 2 2 293.371 -0.482 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001402129873 902365577 /nfs/dbraw/zinc/36/55/77/902365577.db2.gz DEANXTJWDIULGP-CQSZACIVSA-N 2 2 293.371 -0.482 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)NCC2(O)C[NH+](CC3CCC3)C2)C1 ZINC001402310580 902418112 /nfs/dbraw/zinc/41/81/12/902418112.db2.gz TXMZIUQZVLEXII-CYBMUJFWSA-N 2 2 297.399 -0.720 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)NCC2(O)C[NH+](CC3CCC3)C2)C1 ZINC001402310580 902418120 /nfs/dbraw/zinc/41/81/20/902418120.db2.gz TXMZIUQZVLEXII-CYBMUJFWSA-N 2 2 297.399 -0.720 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC[C@@]1(O)CC[N@H+](CCF)C1 ZINC001402314675 902422932 /nfs/dbraw/zinc/42/29/32/902422932.db2.gz MDLAJAAABAFIHA-ZDUSSCGKSA-N 2 2 284.335 -0.286 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC[C@@]1(O)CC[N@@H+](CCF)C1 ZINC001402314675 902422937 /nfs/dbraw/zinc/42/29/37/902422937.db2.gz MDLAJAAABAFIHA-ZDUSSCGKSA-N 2 2 284.335 -0.286 20 0 CBADLP CC[C@H](C(=O)NCC1(O)C[NH+](C[C@H](C)OC)C1)[NH+](C)C ZINC001402332584 902425367 /nfs/dbraw/zinc/42/53/67/902425367.db2.gz GDBOIQHTSSQFIN-NWDGAFQWSA-N 2 2 287.404 -0.476 20 0 CBADLP CCNC(=O)C[NH2+][C@@H](CNC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001402350714 902432921 /nfs/dbraw/zinc/43/29/21/902432921.db2.gz YPKVLRSFFBJQSM-NSHDSACASA-N 2 2 293.371 -0.427 20 0 CBADLP CC(C)[C@@H](C(=O)NCC1(O)C[NH+](CCCO)C1)[NH+](C)C ZINC001402366103 902436293 /nfs/dbraw/zinc/43/62/93/902436293.db2.gz AJHRVXDSNFVZML-LBPRGKRZSA-N 2 2 287.404 -0.882 20 0 CBADLP CCC[N@H+](C)CCC(=O)NCC1(O)C[NH+](C[C@H](C)O)C1 ZINC001402384700 902438763 /nfs/dbraw/zinc/43/87/63/902438763.db2.gz UNJTXSWRSIWGBY-LBPRGKRZSA-N 2 2 287.404 -0.738 20 0 CBADLP CCC[N@@H+](C)CCC(=O)NCC1(O)C[NH+](C[C@H](C)O)C1 ZINC001402384700 902438769 /nfs/dbraw/zinc/43/87/69/902438769.db2.gz UNJTXSWRSIWGBY-LBPRGKRZSA-N 2 2 287.404 -0.738 20 0 CBADLP COC[C@@H](C)[NH+]1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001402385636 902439097 /nfs/dbraw/zinc/43/90/97/902439097.db2.gz LQDNQBFMGLIKJF-NEPJUHHUSA-N 2 2 285.388 -0.864 20 0 CBADLP COC[C@@H](C)[NH+]1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001402385636 902439103 /nfs/dbraw/zinc/43/91/03/902439103.db2.gz LQDNQBFMGLIKJF-NEPJUHHUSA-N 2 2 285.388 -0.864 20 0 CBADLP C[C@H]([NH2+]CC(N)=O)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001402418404 902446387 /nfs/dbraw/zinc/44/63/87/902446387.db2.gz VLVUUKAANSHANC-QWRGUYRKSA-N 2 2 279.344 -0.805 20 0 CBADLP CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001402639160 902494593 /nfs/dbraw/zinc/49/45/93/902494593.db2.gz ZTALOJXWWGTFEZ-PHIMTYICSA-N 2 2 295.391 -0.711 20 0 CBADLP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001402639160 902494599 /nfs/dbraw/zinc/49/45/99/902494599.db2.gz ZTALOJXWWGTFEZ-PHIMTYICSA-N 2 2 295.391 -0.711 20 0 CBADLP C[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1)C(N)=O ZINC001402699664 902505278 /nfs/dbraw/zinc/50/52/78/902505278.db2.gz WTGGFEAWMNMLAC-MNOVXSKESA-N 2 2 293.371 -0.346 20 0 CBADLP C[NH+](CCO)C[C@@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001402898468 902555736 /nfs/dbraw/zinc/55/57/36/902555736.db2.gz BKWRFKPJJGHPJK-QWHCGFSZSA-N 2 2 285.388 -0.768 20 0 CBADLP C[N@H+](CCO)C[C@@H]1CCCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC001402898468 902555710 /nfs/dbraw/zinc/55/57/10/902555710.db2.gz BKWRFKPJJGHPJK-QWHCGFSZSA-N 2 2 285.388 -0.768 20 0 CBADLP C[N@@H+](CCO)C[C@@H]1CCCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC001402898468 902555720 /nfs/dbraw/zinc/55/57/20/902555720.db2.gz BKWRFKPJJGHPJK-QWHCGFSZSA-N 2 2 285.388 -0.768 20 0 CBADLP C[NH+](CCO)C[C@@H]1CCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001402898468 902555729 /nfs/dbraw/zinc/55/57/29/902555729.db2.gz BKWRFKPJJGHPJK-QWHCGFSZSA-N 2 2 285.388 -0.768 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@H]1C[NH2+]CC(N)=O ZINC001402896934 902558481 /nfs/dbraw/zinc/55/84/81/902558481.db2.gz ZEJLADHQMRHWOC-NSHDSACASA-N 2 2 293.371 -0.283 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)[NH2+]CC(N)=O ZINC001402938524 902569797 /nfs/dbraw/zinc/56/97/97/902569797.db2.gz MAUOTPFTERELCA-VHSXEESVSA-N 2 2 279.344 -0.975 20 0 CBADLP C[C@@H](CNC(=O)CCc1[nH+]ccn1C)[NH2+][C@@H]1CCNC1=O ZINC001402962830 902575015 /nfs/dbraw/zinc/57/50/15/902575015.db2.gz VOOIPBRANPZQQB-WDEREUQCSA-N 2 2 293.371 -0.665 20 0 CBADLP C[C@@H]([NH2+]CC(=O)N(C)C)[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001403021615 902593355 /nfs/dbraw/zinc/59/33/55/902593355.db2.gz QSAQRQYWTHBOQS-MNOVXSKESA-N 2 2 295.387 -0.087 20 0 CBADLP C[C@@H]([NH2+]CC(=O)N(C)C)[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001403021615 902593369 /nfs/dbraw/zinc/59/33/69/902593369.db2.gz QSAQRQYWTHBOQS-MNOVXSKESA-N 2 2 295.387 -0.087 20 0 CBADLP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)[NH2+]CC(=O)N(C)C ZINC001403055906 902602802 /nfs/dbraw/zinc/60/28/02/902602802.db2.gz UYTFCMJELPCEAK-WDEREUQCSA-N 2 2 281.360 -0.546 20 0 CBADLP CNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001403132951 902626942 /nfs/dbraw/zinc/62/69/42/902626942.db2.gz BZGYTRDOAANOCC-SNVBAGLBSA-N 2 2 281.360 -0.626 20 0 CBADLP CNC(=O)C[N@H+](C)[C@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001403132951 902626936 /nfs/dbraw/zinc/62/69/36/902626936.db2.gz BZGYTRDOAANOCC-SNVBAGLBSA-N 2 2 281.360 -0.626 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)NC1(CCO)C[NH+](CCCF)C1 ZINC001403205759 902647383 /nfs/dbraw/zinc/64/73/83/902647383.db2.gz ZSXYMEYEOGKQMW-GFCCVEGCSA-N 2 2 287.379 -0.007 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)NC1(CCO)C[NH+](CCCF)C1 ZINC001403205759 902647388 /nfs/dbraw/zinc/64/73/88/902647388.db2.gz ZSXYMEYEOGKQMW-GFCCVEGCSA-N 2 2 287.379 -0.007 20 0 CBADLP CCC[N@H+](C)CC(=O)N[C@H](C)C1C[NH+](CC(=O)NCC)C1 ZINC001403358886 902676337 /nfs/dbraw/zinc/67/63/37/902676337.db2.gz UHPKCOJHOWMJDO-GFCCVEGCSA-N 2 2 298.431 -0.099 20 0 CBADLP CCC[N@@H+](C)CC(=O)N[C@H](C)C1C[NH+](CC(=O)NCC)C1 ZINC001403358886 902676341 /nfs/dbraw/zinc/67/63/41/902676341.db2.gz UHPKCOJHOWMJDO-GFCCVEGCSA-N 2 2 298.431 -0.099 20 0 CBADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](CC(N)=O)CC1(C)C ZINC001403385592 902681014 /nfs/dbraw/zinc/68/10/14/902681014.db2.gz RQJNHDBXOHVSNO-LLVKDONJSA-N 2 2 284.404 -0.360 20 0 CBADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](CC(N)=O)CC1(C)C ZINC001403385592 902681018 /nfs/dbraw/zinc/68/10/18/902681018.db2.gz RQJNHDBXOHVSNO-LLVKDONJSA-N 2 2 284.404 -0.360 20 0 CBADLP C[C@@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+]CC(=O)NC1CC1 ZINC001403487432 902700376 /nfs/dbraw/zinc/70/03/76/902700376.db2.gz NXTXLTGMMZQXMH-NSHDSACASA-N 2 2 293.371 -0.354 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)NC[C@H](CO)[NH2+]CC1CC1 ZINC001403683555 902800335 /nfs/dbraw/zinc/80/03/35/902800335.db2.gz KUJXQIFBMNVRCC-GFCCVEGCSA-N 2 2 280.372 -0.171 20 0 CBADLP C[C@H](F)CC[NH2+][C@@H](CO)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001403713693 902818115 /nfs/dbraw/zinc/81/81/15/902818115.db2.gz IFIMBNGUTDKVFG-VHSXEESVSA-N 2 2 272.324 -0.233 20 0 CBADLP C[C@@H](F)CC[NH2+][C@H](CO)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001403713709 902820774 /nfs/dbraw/zinc/82/07/74/902820774.db2.gz IFIMBNGUTDKVFG-ZJUUUORDSA-N 2 2 272.324 -0.233 20 0 CBADLP CN(C(=O)C[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001403773425 902846813 /nfs/dbraw/zinc/84/68/13/902846813.db2.gz YJHBVUVLCZTLBJ-GFCCVEGCSA-N 2 2 296.415 -0.393 20 0 CBADLP CN(C(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001403773425 902846825 /nfs/dbraw/zinc/84/68/25/902846825.db2.gz YJHBVUVLCZTLBJ-GFCCVEGCSA-N 2 2 296.415 -0.393 20 0 CBADLP CN(C(=O)C[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001403773425 902846835 /nfs/dbraw/zinc/84/68/35/902846835.db2.gz YJHBVUVLCZTLBJ-GFCCVEGCSA-N 2 2 296.415 -0.393 20 0 CBADLP CN(C(=O)C[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001403773425 902846844 /nfs/dbraw/zinc/84/68/44/902846844.db2.gz YJHBVUVLCZTLBJ-GFCCVEGCSA-N 2 2 296.415 -0.393 20 0 CBADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH+](C)[C@H](C)C(N)=O ZINC001403793842 902852254 /nfs/dbraw/zinc/85/22/54/902852254.db2.gz TXLPPMWLHUKRGC-VXGBXAGGSA-N 2 2 284.404 -0.217 20 0 CBADLP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH+](C)[C@H](C)C(N)=O ZINC001403793842 902852262 /nfs/dbraw/zinc/85/22/62/902852262.db2.gz TXLPPMWLHUKRGC-VXGBXAGGSA-N 2 2 284.404 -0.217 20 0 CBADLP CC[NH+]1CCCC[C@@H]1C(=O)NCC[N@H+](C)[C@H](C)C(N)=O ZINC001403793842 902852272 /nfs/dbraw/zinc/85/22/72/902852272.db2.gz TXLPPMWLHUKRGC-VXGBXAGGSA-N 2 2 284.404 -0.217 20 0 CBADLP CC[NH+]1CCCC[C@@H]1C(=O)NCC[N@@H+](C)[C@H](C)C(N)=O ZINC001403793842 902852279 /nfs/dbraw/zinc/85/22/79/902852279.db2.gz TXLPPMWLHUKRGC-VXGBXAGGSA-N 2 2 284.404 -0.217 20 0 CBADLP C[C@@H]([NH2+]C1CC(N(C)C(=O)CCn2cc[nH+]c2)C1)C(N)=O ZINC001404007607 902926635 /nfs/dbraw/zinc/92/66/35/902926635.db2.gz FIXQUBMMWUYEFZ-VOMCLLRMSA-N 2 2 293.371 -0.274 20 0 CBADLP CNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001404091003 902936872 /nfs/dbraw/zinc/93/68/72/902936872.db2.gz LFSPZEWMQGFMOI-OLZOCXBDSA-N 2 2 296.415 -0.345 20 0 CBADLP CNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001404091003 902936884 /nfs/dbraw/zinc/93/68/84/902936884.db2.gz LFSPZEWMQGFMOI-OLZOCXBDSA-N 2 2 296.415 -0.345 20 0 CBADLP CNC(=O)C[NH+]1CCC[C@H]1CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001404091003 902936889 /nfs/dbraw/zinc/93/68/89/902936889.db2.gz LFSPZEWMQGFMOI-OLZOCXBDSA-N 2 2 296.415 -0.345 20 0 CBADLP CNC(=O)C[NH+]1CCC[C@H]1CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001404091003 902936901 /nfs/dbraw/zinc/93/69/01/902936901.db2.gz LFSPZEWMQGFMOI-OLZOCXBDSA-N 2 2 296.415 -0.345 20 0 CBADLP CNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001404090999 902938134 /nfs/dbraw/zinc/93/81/34/902938134.db2.gz LFSPZEWMQGFMOI-CHWSQXEVSA-N 2 2 296.415 -0.345 20 0 CBADLP CNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001404090999 902938150 /nfs/dbraw/zinc/93/81/50/902938150.db2.gz LFSPZEWMQGFMOI-CHWSQXEVSA-N 2 2 296.415 -0.345 20 0 CBADLP CNC(=O)C[NH+]1CCC[C@@H]1CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001404090999 902938159 /nfs/dbraw/zinc/93/81/59/902938159.db2.gz LFSPZEWMQGFMOI-CHWSQXEVSA-N 2 2 296.415 -0.345 20 0 CBADLP CNC(=O)C[NH+]1CCC[C@@H]1CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001404090999 902938170 /nfs/dbraw/zinc/93/81/70/902938170.db2.gz LFSPZEWMQGFMOI-CHWSQXEVSA-N 2 2 296.415 -0.345 20 0 CBADLP CN(CC[NH2+][C@H]1CCCN(C)C1=O)C(=O)Cc1c[nH+]c[nH]1 ZINC001404323997 902973894 /nfs/dbraw/zinc/97/38/94/902973894.db2.gz QUAKNGQXCLIPPN-LBPRGKRZSA-N 2 2 293.371 -0.379 20 0 CBADLP CC[C@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+][C@@H]1CCNC1=O ZINC001405328418 903148026 /nfs/dbraw/zinc/14/80/26/903148026.db2.gz BESNTRYCBFEYBB-ZYHUDNBSSA-N 2 2 293.371 -0.665 20 0 CBADLP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CCOC)CCO1 ZINC001405741475 903211207 /nfs/dbraw/zinc/21/12/07/903211207.db2.gz PLLIHHBNCHPMQG-CYBMUJFWSA-N 2 2 287.404 -0.208 20 0 CBADLP CCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](CCOC)CCO1 ZINC001405741475 903211216 /nfs/dbraw/zinc/21/12/16/903211216.db2.gz PLLIHHBNCHPMQG-CYBMUJFWSA-N 2 2 287.404 -0.208 20 0 CBADLP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@H+](CCOC)CCO1 ZINC001405741475 903211222 /nfs/dbraw/zinc/21/12/22/903211222.db2.gz PLLIHHBNCHPMQG-CYBMUJFWSA-N 2 2 287.404 -0.208 20 0 CBADLP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](CCOC)CCO1 ZINC001405741475 903211232 /nfs/dbraw/zinc/21/12/32/903211232.db2.gz PLLIHHBNCHPMQG-CYBMUJFWSA-N 2 2 287.404 -0.208 20 0 CBADLP C[C@H](C[NH2+]CC(N)=O)N(C)C(=O)c1cc(C[NH+](C)C)on1 ZINC001405841286 903234412 /nfs/dbraw/zinc/23/44/12/903234412.db2.gz GUKVCSNBCYQDGR-SECBINFHSA-N 2 2 297.359 -0.728 20 0 CBADLP C[C@H](C[NH2+][C@@H]1CCN(C)C1=O)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001405863619 903237247 /nfs/dbraw/zinc/23/72/47/903237247.db2.gz BSJJDAFOFVHARR-GHMZBOCLSA-N 2 2 293.371 -0.381 20 0 CBADLP C[C@H](C[NH2+][C@@H](C)C(N)=O)N(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001405873965 903240713 /nfs/dbraw/zinc/24/07/13/903240713.db2.gz PHGKUKRRIDHEBO-ZJUUUORDSA-N 2 2 295.387 -0.002 20 0 CBADLP C[C@@H](C[NH2+][C@@H](C)C(N)=O)N(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001405873955 903241811 /nfs/dbraw/zinc/24/18/11/903241811.db2.gz PHGKUKRRIDHEBO-UWVGGRQHSA-N 2 2 295.387 -0.002 20 0 CBADLP C[C@H](CC(=O)N(C)[C@@H](C)C[NH2+]CC(N)=O)n1cc[nH+]c1 ZINC001405876298 903242373 /nfs/dbraw/zinc/24/23/73/903242373.db2.gz PZDMCBXEQKPFAB-MNOVXSKESA-N 2 2 281.360 -0.244 20 0 CBADLP C[C@H](C[NH2+][C@H](C)C(=O)N(C)C)N(C)C(=O)Cn1cc[nH+]c1 ZINC001405925918 903248880 /nfs/dbraw/zinc/24/88/80/903248880.db2.gz ZWZCLMYLTRXJGU-VXGBXAGGSA-N 2 2 295.387 -0.204 20 0 CBADLP CCCNC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001406083628 903262926 /nfs/dbraw/zinc/26/29/26/903262926.db2.gz XWBRHLSJIUFQJU-ZDUSSCGKSA-N 2 2 298.431 -0.003 20 0 CBADLP CCCNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001406083628 903262931 /nfs/dbraw/zinc/26/29/31/903262931.db2.gz XWBRHLSJIUFQJU-ZDUSSCGKSA-N 2 2 298.431 -0.003 20 0 CBADLP CCCNC(=O)C[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001406083628 903262938 /nfs/dbraw/zinc/26/29/38/903262938.db2.gz XWBRHLSJIUFQJU-ZDUSSCGKSA-N 2 2 298.431 -0.003 20 0 CBADLP CCCNC(=O)C[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001406083628 903262944 /nfs/dbraw/zinc/26/29/44/903262944.db2.gz XWBRHLSJIUFQJU-ZDUSSCGKSA-N 2 2 298.431 -0.003 20 0 CBADLP CN(CC[N@H+](C)Cc1cnnn1C)C(=O)CC[NH+](C)C ZINC001406126856 903273911 /nfs/dbraw/zinc/27/39/11/903273911.db2.gz BWUDSTDKUAZBDF-UHFFFAOYSA-N 2 2 282.392 -0.343 20 0 CBADLP CN(CC[N@@H+](C)Cc1cnnn1C)C(=O)CC[NH+](C)C ZINC001406126856 903273924 /nfs/dbraw/zinc/27/39/24/903273924.db2.gz BWUDSTDKUAZBDF-UHFFFAOYSA-N 2 2 282.392 -0.343 20 0 CBADLP CCNC(=O)C[N@H+](C)CCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001406124932 903275381 /nfs/dbraw/zinc/27/53/81/903275381.db2.gz JYRLOKVDPOQKDC-UHFFFAOYSA-N 2 2 298.431 -0.146 20 0 CBADLP CCNC(=O)C[N@@H+](C)CCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001406124932 903275396 /nfs/dbraw/zinc/27/53/96/903275396.db2.gz JYRLOKVDPOQKDC-UHFFFAOYSA-N 2 2 298.431 -0.146 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N(C)CC[NH+](C)CC(=O)N(C)C ZINC001406178208 903283696 /nfs/dbraw/zinc/28/36/96/903283696.db2.gz QEHWQCRVFJORJY-UHFFFAOYSA-N 2 2 286.420 -0.195 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N(C)CC[NH+](C)CC(=O)N(C)C ZINC001406178208 903283709 /nfs/dbraw/zinc/28/37/09/903283709.db2.gz QEHWQCRVFJORJY-UHFFFAOYSA-N 2 2 286.420 -0.195 20 0 CBADLP CC(C)[NH+](C)CC(=O)N(C)CC[N@H+](C)CC(=O)N(C)C ZINC001406178208 903283723 /nfs/dbraw/zinc/28/37/23/903283723.db2.gz QEHWQCRVFJORJY-UHFFFAOYSA-N 2 2 286.420 -0.195 20 0 CBADLP CC(C)[NH+](C)CC(=O)N(C)CC[N@@H+](C)CC(=O)N(C)C ZINC001406178208 903283737 /nfs/dbraw/zinc/28/37/37/903283737.db2.gz QEHWQCRVFJORJY-UHFFFAOYSA-N 2 2 286.420 -0.195 20 0 CBADLP Cc1noc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001406224772 903310763 /nfs/dbraw/zinc/31/07/63/903310763.db2.gz SNCSDDVCRHUPQT-QWRGUYRKSA-N 2 2 297.359 -0.961 20 0 CBADLP Cc1noc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC001406224772 903310770 /nfs/dbraw/zinc/31/07/70/903310770.db2.gz SNCSDDVCRHUPQT-QWRGUYRKSA-N 2 2 297.359 -0.961 20 0 CBADLP C[C@@H](CC[NH2+][C@@H]1CCNC1=O)NC(=O)CCc1c[nH]c[nH+]1 ZINC001406293058 903343130 /nfs/dbraw/zinc/34/31/30/903343130.db2.gz BBUYVNJTNVMMIK-CMPLNLGQSA-N 2 2 293.371 -0.285 20 0 CBADLP C[C@@H](CC[NH2+][C@@H]1CCNC1=O)NC(=O)CCc1c[nH+]c[nH]1 ZINC001406293058 903343146 /nfs/dbraw/zinc/34/31/46/903343146.db2.gz BBUYVNJTNVMMIK-CMPLNLGQSA-N 2 2 293.371 -0.285 20 0 CBADLP COC[C@@H](O)C[NH2+]C[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001406411197 903393578 /nfs/dbraw/zinc/39/35/78/903393578.db2.gz MKWQBAOBZUWLHB-ZJUUUORDSA-N 2 2 270.333 -0.946 20 0 CBADLP CCN(C)C(=O)C[NH2+]C[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001406487579 903418355 /nfs/dbraw/zinc/41/83/55/903418355.db2.gz ZDJRNYQZQVWOOJ-NSHDSACASA-N 2 2 295.387 -0.085 20 0 CBADLP CCN(C)C(=O)C[NH2+]C[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001406487579 903418360 /nfs/dbraw/zinc/41/83/60/903418360.db2.gz ZDJRNYQZQVWOOJ-NSHDSACASA-N 2 2 295.387 -0.085 20 0 CBADLP C[C@@H](C[NH2+][C@@H](C)C(N)=O)NC(=O)c1cccc2[nH+]ccn21 ZINC001406503312 903418544 /nfs/dbraw/zinc/41/85/44/903418544.db2.gz ZUKYZVDTIKLLNE-UWVGGRQHSA-N 2 2 289.339 -0.084 20 0 CBADLP C[C@@H](C[NH2+]Cc1ccnn1C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001406543805 903429527 /nfs/dbraw/zinc/42/95/27/903429527.db2.gz RJLMDLSFTDMOOW-JTQLQIEISA-N 2 2 276.344 -0.020 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)N[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001406763111 903474202 /nfs/dbraw/zinc/47/42/02/903474202.db2.gz BKWHZPSZTVYHJG-LLVKDONJSA-N 2 2 293.371 -0.678 20 0 CBADLP CN1CC[C@H]([N@@H+]2CC[C@H]2CNC(=O)CCC[NH+](C)C)C1=O ZINC001406861045 903492713 /nfs/dbraw/zinc/49/27/13/903492713.db2.gz NPZROHKWGHDMCQ-STQMWFEESA-N 2 2 296.415 -0.251 20 0 CBADLP CN1CC[C@H]([N@H+]2CC[C@H]2CNC(=O)CCC[NH+](C)C)C1=O ZINC001406861045 903492724 /nfs/dbraw/zinc/49/27/24/903492724.db2.gz NPZROHKWGHDMCQ-STQMWFEESA-N 2 2 296.415 -0.251 20 0 CBADLP NC(=O)C[NH2+]C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)C1CCCC1 ZINC001407137893 903547391 /nfs/dbraw/zinc/54/73/91/903547391.db2.gz CWDVTAFNHYMSCG-GFCCVEGCSA-N 2 2 293.371 -0.298 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC[C@]1(O)CC[N@H+](CC2CC2)C1 ZINC001407353776 903577102 /nfs/dbraw/zinc/57/71/02/903577102.db2.gz OUVCQEQCDUASAS-CQSZACIVSA-N 2 2 278.356 -0.085 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC[C@]1(O)CC[N@@H+](CC2CC2)C1 ZINC001407353776 903577114 /nfs/dbraw/zinc/57/71/14/903577114.db2.gz OUVCQEQCDUASAS-CQSZACIVSA-N 2 2 278.356 -0.085 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@]1(O)CC[N@H+](CC2CC2)C1 ZINC001407353775 903578235 /nfs/dbraw/zinc/57/82/35/903578235.db2.gz OUVCQEQCDUASAS-AWEZNQCLSA-N 2 2 278.356 -0.085 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@]1(O)CC[N@@H+](CC2CC2)C1 ZINC001407353775 903578246 /nfs/dbraw/zinc/57/82/46/903578246.db2.gz OUVCQEQCDUASAS-AWEZNQCLSA-N 2 2 278.356 -0.085 20 0 CBADLP COCC[N@@H+]1CC[C@](O)(CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001407369785 903584823 /nfs/dbraw/zinc/58/48/23/903584823.db2.gz RFNGJRVFTCMHSL-AWEZNQCLSA-N 2 2 296.371 -0.540 20 0 CBADLP COCC[N@H+]1CC[C@](O)(CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001407369785 903584833 /nfs/dbraw/zinc/58/48/33/903584833.db2.gz RFNGJRVFTCMHSL-AWEZNQCLSA-N 2 2 296.371 -0.540 20 0 CBADLP CCCC[NH+]1CC(O)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001407396369 903594869 /nfs/dbraw/zinc/59/48/69/903594869.db2.gz FDYNYDFFFOAMQL-LBPRGKRZSA-N 2 2 285.388 -0.720 20 0 CBADLP CCCC[NH+]1CC(O)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001407396369 903594883 /nfs/dbraw/zinc/59/48/83/903594883.db2.gz FDYNYDFFFOAMQL-LBPRGKRZSA-N 2 2 285.388 -0.720 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NCC1(O)C[NH+](CC2CC2)C1 ZINC001407466126 903612983 /nfs/dbraw/zinc/61/29/83/903612983.db2.gz GNOLZRFPHGKHFV-UHFFFAOYSA-N 2 2 278.356 -0.236 20 0 CBADLP CNC(=O)C[NH2+][C@H](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001407537724 903624486 /nfs/dbraw/zinc/62/44/86/903624486.db2.gz HVLZGZAEPKXFRD-NEPJUHHUSA-N 2 2 293.371 -0.544 20 0 CBADLP CNC(=O)C[NH2+][C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001408085841 903707389 /nfs/dbraw/zinc/70/73/89/903707389.db2.gz GBTQVTJIKXNLHD-RYUDHWBXSA-N 2 2 293.371 -0.544 20 0 CBADLP COCCOC[C@@H](O)C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC001459796854 914743934 /nfs/dbraw/zinc/74/39/34/914743934.db2.gz LUALYUZGDXZUAA-ZDUSSCGKSA-N 2 2 298.387 -0.434 20 0 CBADLP C[C@H](C(N)=O)[N@H+](C)C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001408355579 903757059 /nfs/dbraw/zinc/75/70/59/903757059.db2.gz IZJZPWFQGBISEQ-VXGBXAGGSA-N 2 2 293.371 -0.320 20 0 CBADLP C[C@H](C(N)=O)[N@@H+](C)C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001408355579 903757066 /nfs/dbraw/zinc/75/70/66/903757066.db2.gz IZJZPWFQGBISEQ-VXGBXAGGSA-N 2 2 293.371 -0.320 20 0 CBADLP C[NH+](C)CCCC(=O)N1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC001409072056 903842617 /nfs/dbraw/zinc/84/26/17/903842617.db2.gz NJUNARLBMZMSEY-UHFFFAOYSA-N 2 2 293.371 -0.448 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH+](C)CC(=O)N(C)C ZINC001409572768 903931450 /nfs/dbraw/zinc/93/14/50/903931450.db2.gz BNTNOPADFDQVRL-QWHCGFSZSA-N 2 2 298.431 -0.005 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)[NH+](C)CC(=O)N(C)C ZINC001409572768 903931464 /nfs/dbraw/zinc/93/14/64/903931464.db2.gz BNTNOPADFDQVRL-QWHCGFSZSA-N 2 2 298.431 -0.005 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1CCCC[NH+]1C)[N@H+](C)CC(=O)N(C)C ZINC001409572768 903931473 /nfs/dbraw/zinc/93/14/73/903931473.db2.gz BNTNOPADFDQVRL-QWHCGFSZSA-N 2 2 298.431 -0.005 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1CCCC[NH+]1C)[N@@H+](C)CC(=O)N(C)C ZINC001409572768 903931487 /nfs/dbraw/zinc/93/14/87/903931487.db2.gz BNTNOPADFDQVRL-QWHCGFSZSA-N 2 2 298.431 -0.005 20 0 CBADLP CCNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001409686774 903960645 /nfs/dbraw/zinc/96/06/45/903960645.db2.gz RBCVWYLIKCKXTD-NSHDSACASA-N 2 2 295.387 -0.236 20 0 CBADLP CCNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001409686774 903960657 /nfs/dbraw/zinc/96/06/57/903960657.db2.gz RBCVWYLIKCKXTD-NSHDSACASA-N 2 2 295.387 -0.236 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC1(CCO)C[NH+](C[C@@H](C)O)C1 ZINC001409750742 903969566 /nfs/dbraw/zinc/96/95/66/903969566.db2.gz CKYUHPXCLIGMDW-LLVKDONJSA-N 2 2 296.371 -0.875 20 0 CBADLP C[C@H](NC(=O)Cc1c[nH+]cn1C)C1C[NH+](CCCO)C1 ZINC001409965397 903989012 /nfs/dbraw/zinc/98/90/12/903989012.db2.gz NNBHKDDMCNKUOX-NSHDSACASA-N 2 2 280.372 -0.219 20 0 CBADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1C[C@H](O)[C@H](CO)C1 ZINC001460221646 914774434 /nfs/dbraw/zinc/77/44/34/914774434.db2.gz QSLYDLGSGNCDDG-JYJNAYRXSA-N 2 2 294.395 -0.236 20 0 CBADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1C[C@H](O)[C@H](CO)C1 ZINC001460221646 914774446 /nfs/dbraw/zinc/77/44/46/914774446.db2.gz QSLYDLGSGNCDDG-JYJNAYRXSA-N 2 2 294.395 -0.236 20 0 CBADLP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1C[C@H](O)[C@H](CO)C1 ZINC001460221646 914774459 /nfs/dbraw/zinc/77/44/59/914774459.db2.gz QSLYDLGSGNCDDG-JYJNAYRXSA-N 2 2 294.395 -0.236 20 0 CBADLP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1C[C@H](O)[C@H](CO)C1 ZINC001460221646 914774471 /nfs/dbraw/zinc/77/44/71/914774471.db2.gz QSLYDLGSGNCDDG-JYJNAYRXSA-N 2 2 294.395 -0.236 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001410323050 904068858 /nfs/dbraw/zinc/06/88/58/904068858.db2.gz GOIBEYYAENCPJO-GFCCVEGCSA-N 2 2 293.371 -0.427 20 0 CBADLP C[C@@H](CN(C)C(=O)CCn1cc[nH+]c1)[NH2+][C@@H]1CCNC1=O ZINC001410420689 904093941 /nfs/dbraw/zinc/09/39/41/904093941.db2.gz JORUUSRWEFOFQP-NWDGAFQWSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@H](CN(C)C(=O)C[C@H](C)n1cc[nH+]c1)[NH2+]CC(N)=O ZINC001410445090 904101236 /nfs/dbraw/zinc/10/12/36/904101236.db2.gz FQLXUPPTEDUKSZ-MNOVXSKESA-N 2 2 281.360 -0.244 20 0 CBADLP CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001410468025 904105516 /nfs/dbraw/zinc/10/55/16/904105516.db2.gz NJJMIJYIKCUBTM-JTQLQIEISA-N 2 2 281.360 -0.475 20 0 CBADLP O=C(NC[C@@H](CO)[NH2+]CC1CC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001410674882 904156498 /nfs/dbraw/zinc/15/64/98/904156498.db2.gz VNQGWWDBRGZGTJ-OLZOCXBDSA-N 2 2 292.383 -0.078 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@H](CO)[NH2+]C[C@@H]1CCOC1 ZINC001410725900 904174440 /nfs/dbraw/zinc/17/44/40/904174440.db2.gz NZEBDNUQSKSBKL-JQWIXIFHSA-N 2 2 282.344 -0.945 20 0 CBADLP CC(C)[C@H](C(=O)NC[C@H](CO)[NH2+]Cc1ccon1)[NH+](C)C ZINC001410739660 904175911 /nfs/dbraw/zinc/17/59/11/904175911.db2.gz XYXFEYZWNJYPOJ-CHWSQXEVSA-N 2 2 298.387 -0.173 20 0 CBADLP CN(C(=O)CC[NH+](C)C)C1CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001410915945 904204299 /nfs/dbraw/zinc/20/42/99/904204299.db2.gz OLGBDQTWGXPQQU-UHFFFAOYSA-N 2 2 293.371 -0.427 20 0 CBADLP NC(=O)C[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001410928889 904205596 /nfs/dbraw/zinc/20/55/96/904205596.db2.gz AOGILTOTRCBZBP-UWVGGRQHSA-N 2 2 279.344 -0.688 20 0 CBADLP C[NH+](C)C1(C(=O)N[C@@H]2CCC[N@H+](CC(N)=O)C2)CCCC1 ZINC001411773130 904353811 /nfs/dbraw/zinc/35/38/11/904353811.db2.gz WKTNXBVKCPETQN-GFCCVEGCSA-N 2 2 296.415 -0.073 20 0 CBADLP C[NH+](C)C1(C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)C2)CCCC1 ZINC001411773130 904353823 /nfs/dbraw/zinc/35/38/23/904353823.db2.gz WKTNXBVKCPETQN-GFCCVEGCSA-N 2 2 296.415 -0.073 20 0 CBADLP OC[C@H](O)C[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC001460775445 914820933 /nfs/dbraw/zinc/82/09/33/914820933.db2.gz DIFQCEQOQSBSIH-CYBMUJFWSA-N 2 2 258.362 -0.427 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+]([C@@H]2CCOC2=O)CC1 ZINC001412736115 904691507 /nfs/dbraw/zinc/69/15/07/904691507.db2.gz VTVNJBSVRURWTO-CHWSQXEVSA-N 2 2 295.383 -0.023 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+]([C@@H]2CCOC2=O)CC1 ZINC001412736115 904691516 /nfs/dbraw/zinc/69/15/16/904691516.db2.gz VTVNJBSVRURWTO-CHWSQXEVSA-N 2 2 295.383 -0.023 20 0 CBADLP Cn1nncc1C[NH2+]CCC[NH+]1CCC(O)CC1 ZINC001461099144 914847001 /nfs/dbraw/zinc/84/70/01/914847001.db2.gz FFBRVOCAEXRZFG-UHFFFAOYSA-N 2 2 253.350 -0.249 20 0 CBADLP Cn1cc(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)cn1 ZINC001413121567 904927914 /nfs/dbraw/zinc/92/79/14/904927914.db2.gz FQLQVQNONGFADZ-OAHLLOKOSA-N 2 2 293.415 -0.084 20 0 CBADLP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@]1(O)CCS(=O)(=O)C1 ZINC001461516016 914856804 /nfs/dbraw/zinc/85/68/04/914856804.db2.gz QUXRDEVEFZXDPO-ZDUSSCGKSA-N 2 2 299.396 -0.213 20 0 CBADLP NC(=O)Cn1cc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)nn1 ZINC001413152615 904937909 /nfs/dbraw/zinc/93/79/09/904937909.db2.gz NCZZMFVNIACGNS-SECBINFHSA-N 2 2 275.316 -0.936 20 0 CBADLP Cn1c[nH+]cc1[C@H](CO)NC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O ZINC001413327046 905018271 /nfs/dbraw/zinc/01/82/71/905018271.db2.gz OAJVIIPCOBZVLL-DMDPSCGWSA-N 2 2 296.371 -0.585 20 0 CBADLP Cn1c[nH+]cc1[C@H](CO)NC(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O ZINC001413327046 905018284 /nfs/dbraw/zinc/01/82/84/905018284.db2.gz OAJVIIPCOBZVLL-DMDPSCGWSA-N 2 2 296.371 -0.585 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH2+]C1(CC(=O)OC)CC1 ZINC001414009789 905316250 /nfs/dbraw/zinc/31/62/50/905316250.db2.gz GNUFBGGTJVRDKG-LLVKDONJSA-N 2 2 274.361 -0.389 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH2+]C1(CC(=O)OC)CC1 ZINC001414009789 905316264 /nfs/dbraw/zinc/31/62/64/905316264.db2.gz GNUFBGGTJVRDKG-LLVKDONJSA-N 2 2 274.361 -0.389 20 0 CBADLP C[NH+](C)CCC(=O)N1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001414502903 905434157 /nfs/dbraw/zinc/43/41/57/905434157.db2.gz FFXNDFVTAKLTEJ-UHFFFAOYSA-N 2 2 293.371 -0.494 20 0 CBADLP CCN(CCNC(=O)CC[NH+](C)C)C(=O)Cc1[nH]cc[nH+]1 ZINC001415719102 905657962 /nfs/dbraw/zinc/65/79/62/905657962.db2.gz LDAGDDSECJECGA-UHFFFAOYSA-N 2 2 295.387 -0.131 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001416951606 905839591 /nfs/dbraw/zinc/83/95/91/905839591.db2.gz LVXPMJAUHKIEBQ-NSHDSACASA-N 2 2 295.387 -0.087 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NC[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001416951606 905839606 /nfs/dbraw/zinc/83/96/06/905839606.db2.gz LVXPMJAUHKIEBQ-NSHDSACASA-N 2 2 295.387 -0.087 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC001417636691 905949587 /nfs/dbraw/zinc/94/95/87/905949587.db2.gz QRBKVWFWVRJNPI-GFCCVEGCSA-N 2 2 279.388 -0.056 20 0 CBADLP CN(C[C@H]1CC[N@@H+]1CCO)C(=O)CC[NH+]1CCOCC1 ZINC001417741083 906037668 /nfs/dbraw/zinc/03/76/68/906037668.db2.gz BKBPBVGUYNHNOV-CYBMUJFWSA-N 2 2 285.388 -0.766 20 0 CBADLP CN(C[C@H]1CC[N@H+]1CCO)C(=O)CC[NH+]1CCOCC1 ZINC001417741083 906037684 /nfs/dbraw/zinc/03/76/84/906037684.db2.gz BKBPBVGUYNHNOV-CYBMUJFWSA-N 2 2 285.388 -0.766 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@H]1C[C@H]([NH2+]Cc2cnon2)C1 ZINC001417800301 906058161 /nfs/dbraw/zinc/05/81/61/906058161.db2.gz DDAZKAWZCZFLQJ-XYPYZODXSA-N 2 2 290.327 -0.049 20 0 CBADLP CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001417906857 906100644 /nfs/dbraw/zinc/10/06/44/906100644.db2.gz XNTWIYDVQAORER-LBPRGKRZSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[N@H+]1CCC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001417906857 906100650 /nfs/dbraw/zinc/10/06/50/906100650.db2.gz XNTWIYDVQAORER-LBPRGKRZSA-N 2 2 296.415 -0.203 20 0 CBADLP COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001418044883 906144552 /nfs/dbraw/zinc/14/45/52/906144552.db2.gz YFSUIRKLRUPSPE-QWRGUYRKSA-N 2 2 282.344 -0.850 20 0 CBADLP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CCCC[NH+]2CC(N)=O)C1 ZINC001418152710 906180968 /nfs/dbraw/zinc/18/09/68/906180968.db2.gz CTTJQYDPSBCADZ-OLZOCXBDSA-N 2 2 296.415 -0.216 20 0 CBADLP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2CCCC[NH+]2CC(N)=O)C1 ZINC001418152710 906180977 /nfs/dbraw/zinc/18/09/77/906180977.db2.gz CTTJQYDPSBCADZ-OLZOCXBDSA-N 2 2 296.415 -0.216 20 0 CBADLP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2CCCC[N@@H+]2CC(N)=O)C1 ZINC001418152710 906180984 /nfs/dbraw/zinc/18/09/84/906180984.db2.gz CTTJQYDPSBCADZ-OLZOCXBDSA-N 2 2 296.415 -0.216 20 0 CBADLP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2CCCC[N@H+]2CC(N)=O)C1 ZINC001418152710 906180993 /nfs/dbraw/zinc/18/09/93/906180993.db2.gz CTTJQYDPSBCADZ-OLZOCXBDSA-N 2 2 296.415 -0.216 20 0 CBADLP C[C@H](CNC(=O)c1cccc2[nH+]ccn21)[NH2+][C@@H](C)C(N)=O ZINC001418249165 906238230 /nfs/dbraw/zinc/23/82/30/906238230.db2.gz PFGRERYKTGHADA-ZJUUUORDSA-N 2 2 289.339 -0.084 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NC[C@@H](C)[NH2+]Cc1cnon1 ZINC001418261795 906244845 /nfs/dbraw/zinc/24/48/45/906244845.db2.gz YWPFFKNFEKZCKS-SECBINFHSA-N 2 2 278.316 -0.131 20 0 CBADLP CCC[N@@H+]1CCC[C@H](C(=O)NCC[NH+](C)CC(=O)NC)C1 ZINC001418489313 906366625 /nfs/dbraw/zinc/36/66/25/906366625.db2.gz VOTYCNJOYPUOQB-ZDUSSCGKSA-N 2 2 298.431 -0.098 20 0 CBADLP CCC[N@H+]1CCC[C@H](C(=O)NCC[NH+](C)CC(=O)NC)C1 ZINC001418489313 906366638 /nfs/dbraw/zinc/36/66/38/906366638.db2.gz VOTYCNJOYPUOQB-ZDUSSCGKSA-N 2 2 298.431 -0.098 20 0 CBADLP CCC[NH+]1CCC[C@H](C(=O)NCC[N@H+](C)CC(=O)NC)C1 ZINC001418489313 906366650 /nfs/dbraw/zinc/36/66/50/906366650.db2.gz VOTYCNJOYPUOQB-ZDUSSCGKSA-N 2 2 298.431 -0.098 20 0 CBADLP CCC[NH+]1CCC[C@H](C(=O)NCC[N@@H+](C)CC(=O)NC)C1 ZINC001418489313 906366666 /nfs/dbraw/zinc/36/66/66/906366666.db2.gz VOTYCNJOYPUOQB-ZDUSSCGKSA-N 2 2 298.431 -0.098 20 0 CBADLP CCNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001418518612 906386127 /nfs/dbraw/zinc/38/61/27/906386127.db2.gz FKHWFBIAGCCHEV-LLVKDONJSA-N 2 2 270.377 -0.878 20 0 CBADLP CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001418518612 906386142 /nfs/dbraw/zinc/38/61/42/906386142.db2.gz FKHWFBIAGCCHEV-LLVKDONJSA-N 2 2 270.377 -0.878 20 0 CBADLP CCNC(=O)C[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001418518612 906386160 /nfs/dbraw/zinc/38/61/60/906386160.db2.gz FKHWFBIAGCCHEV-LLVKDONJSA-N 2 2 270.377 -0.878 20 0 CBADLP CCNC(=O)C[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001418518612 906386174 /nfs/dbraw/zinc/38/61/74/906386174.db2.gz FKHWFBIAGCCHEV-LLVKDONJSA-N 2 2 270.377 -0.878 20 0 CBADLP CC[N@H+](C)CCC(=O)N(C)C[C@H]1CC[NH+]1[C@@H](C)C(=O)NC ZINC001418594818 906420231 /nfs/dbraw/zinc/42/02/31/906420231.db2.gz MZMGABGMLNAXGT-QWHCGFSZSA-N 2 2 298.431 -0.005 20 0 CBADLP CC[N@@H+](C)CCC(=O)N(C)C[C@H]1CC[NH+]1[C@@H](C)C(=O)NC ZINC001418594818 906420241 /nfs/dbraw/zinc/42/02/41/906420241.db2.gz MZMGABGMLNAXGT-QWHCGFSZSA-N 2 2 298.431 -0.005 20 0 CBADLP CC[NH+](C)CCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@@H](C)C(=O)NC ZINC001418594818 906420251 /nfs/dbraw/zinc/42/02/51/906420251.db2.gz MZMGABGMLNAXGT-QWHCGFSZSA-N 2 2 298.431 -0.005 20 0 CBADLP CC[NH+](C)CCC(=O)N(C)C[C@H]1CC[N@H+]1[C@@H](C)C(=O)NC ZINC001418594818 906420259 /nfs/dbraw/zinc/42/02/59/906420259.db2.gz MZMGABGMLNAXGT-QWHCGFSZSA-N 2 2 298.431 -0.005 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)CC[NH+](C)C ZINC001418595153 906420319 /nfs/dbraw/zinc/42/03/19/906420319.db2.gz GJCOHIXTAFAMBE-NSHDSACASA-N 2 2 270.377 -0.783 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)CC[NH+](C)C ZINC001418595153 906420323 /nfs/dbraw/zinc/42/03/23/906420323.db2.gz GJCOHIXTAFAMBE-NSHDSACASA-N 2 2 270.377 -0.783 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N(C)C[C@@H]1CC[NH+]1[C@@H](C)C(N)=O ZINC001418601375 906422352 /nfs/dbraw/zinc/42/23/52/906422352.db2.gz LBIYQVYRJNEYOA-RYUDHWBXSA-N 2 2 284.404 -0.267 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H]1CC[NH+]1[C@@H](C)C(N)=O ZINC001418601375 906422366 /nfs/dbraw/zinc/42/23/66/906422366.db2.gz LBIYQVYRJNEYOA-RYUDHWBXSA-N 2 2 284.404 -0.267 20 0 CBADLP CC(C)[NH+](C)CC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@@H](C)C(N)=O ZINC001418601375 906422382 /nfs/dbraw/zinc/42/23/82/906422382.db2.gz LBIYQVYRJNEYOA-RYUDHWBXSA-N 2 2 284.404 -0.267 20 0 CBADLP CC(C)[NH+](C)CC(=O)N(C)C[C@@H]1CC[N@H+]1[C@@H](C)C(N)=O ZINC001418601375 906422395 /nfs/dbraw/zinc/42/23/95/906422395.db2.gz LBIYQVYRJNEYOA-RYUDHWBXSA-N 2 2 284.404 -0.267 20 0 CBADLP CC[C@H](C(=O)NC[C@H]1CCC[N@@H+]1CC(N)=O)[NH+](C)C ZINC001418635789 906433168 /nfs/dbraw/zinc/43/31/68/906433168.db2.gz HLJRVQIPFBKCQX-GHMZBOCLSA-N 2 2 270.377 -0.608 20 0 CBADLP CC[C@H](C(=O)NC[C@H]1CCC[N@H+]1CC(N)=O)[NH+](C)C ZINC001418635789 906433174 /nfs/dbraw/zinc/43/31/74/906433174.db2.gz HLJRVQIPFBKCQX-GHMZBOCLSA-N 2 2 270.377 -0.608 20 0 CBADLP CN(C)C(=O)C[N@@H+]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001418680943 906446784 /nfs/dbraw/zinc/44/67/84/906446784.db2.gz GCFLYJHHTXJBKJ-LLVKDONJSA-N 2 2 293.371 -0.522 20 0 CBADLP CN(C)C(=O)C[N@H+]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001418680943 906446788 /nfs/dbraw/zinc/44/67/88/906446788.db2.gz GCFLYJHHTXJBKJ-LLVKDONJSA-N 2 2 293.371 -0.522 20 0 CBADLP CNC(=O)C[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)C1CC1 ZINC001418768280 906467022 /nfs/dbraw/zinc/46/70/22/906467022.db2.gz MBNKDNLCZSPCFN-ZDUSSCGKSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)C1CC1 ZINC001418768280 906467030 /nfs/dbraw/zinc/46/70/30/906467030.db2.gz MBNKDNLCZSPCFN-ZDUSSCGKSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC001418768280 906467036 /nfs/dbraw/zinc/46/70/36/906467036.db2.gz MBNKDNLCZSPCFN-ZDUSSCGKSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC001418768280 906467040 /nfs/dbraw/zinc/46/70/40/906467040.db2.gz MBNKDNLCZSPCFN-ZDUSSCGKSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)CCn1cc[nH+]c1 ZINC001418823703 906491158 /nfs/dbraw/zinc/49/11/58/906491158.db2.gz MOOBNSLSQNJUPO-LLVKDONJSA-N 2 2 281.360 -0.544 20 0 CBADLP C[N@@H+](CC(N)=O)C[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001418936290 906518797 /nfs/dbraw/zinc/51/87/97/906518797.db2.gz KBIVLQVCALUCIV-GFCCVEGCSA-N 2 2 293.371 -0.461 20 0 CBADLP C[N@H+](CC(N)=O)C[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001418936290 906518805 /nfs/dbraw/zinc/51/88/05/906518805.db2.gz KBIVLQVCALUCIV-GFCCVEGCSA-N 2 2 293.371 -0.461 20 0 CBADLP Cn1cc(CC[NH+]2CC(NC(=O)CC[NH+](C)C)C2)cn1 ZINC001418986355 906547959 /nfs/dbraw/zinc/54/79/59/906547959.db2.gz CQIKVCSUCKPJMB-UHFFFAOYSA-N 2 2 279.388 -0.285 20 0 CBADLP CCCNC(=O)C[NH+]1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001419033445 906569471 /nfs/dbraw/zinc/56/94/71/906569471.db2.gz OIPKGZCFUKIPRC-UHFFFAOYSA-N 2 2 284.404 -0.488 20 0 CBADLP C[C@@H]1CC[N@@H+](CC(=O)NCC2C[NH+](CC(=O)N(C)C)C2)C1 ZINC001419030460 906569616 /nfs/dbraw/zinc/56/96/16/906569616.db2.gz BRWFHHPOZDCKLY-GFCCVEGCSA-N 2 2 296.415 -0.536 20 0 CBADLP COC[C@H](O)C[NH+]1CC(CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001419038200 906569895 /nfs/dbraw/zinc/56/98/95/906569895.db2.gz UZTIWBNYPCRAGI-GFCCVEGCSA-N 2 2 296.371 -0.684 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NCC1C[NH+](CC(=O)N2CCC2)C1 ZINC001419043480 906574985 /nfs/dbraw/zinc/57/49/85/906574985.db2.gz OHUSWAGERXWMLC-UHFFFAOYSA-N 2 2 296.415 -0.393 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NCC1C[NH+](CC(=O)N2CCC2)C1 ZINC001419043480 906574990 /nfs/dbraw/zinc/57/49/90/906574990.db2.gz OHUSWAGERXWMLC-UHFFFAOYSA-N 2 2 296.415 -0.393 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2cnnn2C)C1 ZINC001419219574 906642324 /nfs/dbraw/zinc/64/23/24/906642324.db2.gz XFSPLKNFZDQDSN-LBPRGKRZSA-N 2 2 294.403 -0.154 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2cnnn2C)C1 ZINC001419219574 906642332 /nfs/dbraw/zinc/64/23/32/906642332.db2.gz XFSPLKNFZDQDSN-LBPRGKRZSA-N 2 2 294.403 -0.154 20 0 CBADLP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@H+](Cc2cnnn2C)C1 ZINC001419219574 906642337 /nfs/dbraw/zinc/64/23/37/906642337.db2.gz XFSPLKNFZDQDSN-LBPRGKRZSA-N 2 2 294.403 -0.154 20 0 CBADLP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@@H+](Cc2cnnn2C)C1 ZINC001419219574 906642343 /nfs/dbraw/zinc/64/23/43/906642343.db2.gz XFSPLKNFZDQDSN-LBPRGKRZSA-N 2 2 294.403 -0.154 20 0 CBADLP CC[C@@H](CNC(=O)CCc1c[nH+]cn1C)[NH2+]CC(=O)NC ZINC001419281687 906655177 /nfs/dbraw/zinc/65/51/77/906655177.db2.gz STGGHHDPFBPDLN-NSHDSACASA-N 2 2 295.387 -0.417 20 0 CBADLP CC[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1cnn(C)n1 ZINC001419268682 906656334 /nfs/dbraw/zinc/65/63/34/906656334.db2.gz JYKIMTIFWMCTNW-LLVKDONJSA-N 2 2 291.359 -0.304 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)N[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001419414695 906683345 /nfs/dbraw/zinc/68/33/45/906683345.db2.gz LXXAUKZEJOHUGP-SRVKXCTJSA-N 2 2 291.355 -0.532 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)N[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001419414695 906683350 /nfs/dbraw/zinc/68/33/50/906683350.db2.gz LXXAUKZEJOHUGP-SRVKXCTJSA-N 2 2 291.355 -0.532 20 0 CBADLP CC(C)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001419430110 906686478 /nfs/dbraw/zinc/68/64/78/906686478.db2.gz VSNJYGUTAMXXSS-XYPYZODXSA-N 2 2 293.371 -0.286 20 0 CBADLP COC[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001419513239 906708771 /nfs/dbraw/zinc/70/87/71/906708771.db2.gz NSXYRYDHOOHSSO-TUAOUCFPSA-N 2 2 282.344 -0.873 20 0 CBADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)C[NH2+][C@H](C)C(=O)N(C)C ZINC001419510015 906709538 /nfs/dbraw/zinc/70/95/38/906709538.db2.gz HZYZTTLRSYJJHY-WDEREUQCSA-N 2 2 295.387 -0.229 20 0 CBADLP C[C@@H]([NH2+]C[C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1)C(=O)N(C)C ZINC001419515382 906711115 /nfs/dbraw/zinc/71/11/15/906711115.db2.gz FLFYIICANHKIFO-GHMZBOCLSA-N 2 2 295.387 -0.229 20 0 CBADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)C[NH2+][C@H](C)C(=O)N(C)C ZINC001419515404 906712316 /nfs/dbraw/zinc/71/23/16/906712316.db2.gz FLFYIICANHKIFO-WDEREUQCSA-N 2 2 295.387 -0.229 20 0 CBADLP CC[C@@H]([NH2+]C[C@H](C)CNC(=O)Cc1c[nH+]cn1C)C(N)=O ZINC001419547361 906721745 /nfs/dbraw/zinc/72/17/45/906721745.db2.gz VCEHTASNYLAQLE-CMPLNLGQSA-N 2 2 295.387 -0.432 20 0 CBADLP CCC[N@H+](C)CC(=O)NC[C@H]1C[NH+](C[C@H](C)O)CCO1 ZINC001419593027 906736667 /nfs/dbraw/zinc/73/66/67/906736667.db2.gz HSNNHKFDJTXNJN-STQMWFEESA-N 2 2 287.404 -0.474 20 0 CBADLP CCC[N@@H+](C)CC(=O)NC[C@H]1C[NH+](C[C@H](C)O)CCO1 ZINC001419593027 906736674 /nfs/dbraw/zinc/73/66/74/906736674.db2.gz HSNNHKFDJTXNJN-STQMWFEESA-N 2 2 287.404 -0.474 20 0 CBADLP CCC[NH+](C)CC(=O)NC[C@H]1C[N@H+](C[C@H](C)O)CCO1 ZINC001419593027 906736690 /nfs/dbraw/zinc/73/66/90/906736690.db2.gz HSNNHKFDJTXNJN-STQMWFEESA-N 2 2 287.404 -0.474 20 0 CBADLP CCC[NH+](C)CC(=O)NC[C@H]1C[N@@H+](C[C@H](C)O)CCO1 ZINC001419593027 906736701 /nfs/dbraw/zinc/73/67/01/906736701.db2.gz HSNNHKFDJTXNJN-STQMWFEESA-N 2 2 287.404 -0.474 20 0 CBADLP C[C@H]([NH2+]C1(CNC(=O)Cc2[nH]cc[nH+]2)CCCC1)C(N)=O ZINC001419616145 906741524 /nfs/dbraw/zinc/74/15/24/906741524.db2.gz USZCTRACDFBSIP-JTQLQIEISA-N 2 2 293.371 -0.155 20 0 CBADLP Cc1cc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2C[N@H+](C)CCO2)on1 ZINC001419719751 906783793 /nfs/dbraw/zinc/78/37/93/906783793.db2.gz QGHIJSBCSAVNAY-AAEUAGOBSA-N 2 2 296.371 -0.092 20 0 CBADLP Cc1cc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2C[N@@H+](C)CCO2)on1 ZINC001419719751 906783806 /nfs/dbraw/zinc/78/38/06/906783806.db2.gz QGHIJSBCSAVNAY-AAEUAGOBSA-N 2 2 296.371 -0.092 20 0 CBADLP Cc1cc(C[NH2+][C@H](C)CNC(=O)[C@@H]2C[N@H+](C)CCO2)on1 ZINC001419719754 906784938 /nfs/dbraw/zinc/78/49/38/906784938.db2.gz QGHIJSBCSAVNAY-YPMHNXCESA-N 2 2 296.371 -0.092 20 0 CBADLP Cc1cc(C[NH2+][C@H](C)CNC(=O)[C@@H]2C[N@@H+](C)CCO2)on1 ZINC001419719754 906784952 /nfs/dbraw/zinc/78/49/52/906784952.db2.gz QGHIJSBCSAVNAY-YPMHNXCESA-N 2 2 296.371 -0.092 20 0 CBADLP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1nncn1C ZINC001419781436 906817119 /nfs/dbraw/zinc/81/71/19/906817119.db2.gz XBMWQPHBVQKUMS-VXGBXAGGSA-N 2 2 294.403 -0.106 20 0 CBADLP C[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)[NH2+]Cc1nncn1C ZINC001419781436 906817126 /nfs/dbraw/zinc/81/71/26/906817126.db2.gz XBMWQPHBVQKUMS-VXGBXAGGSA-N 2 2 294.403 -0.106 20 0 CBADLP CC(C)[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@@H]1CCNC1=O ZINC001419923151 906859033 /nfs/dbraw/zinc/85/90/33/906859033.db2.gz RLVRXSIFWYOZPV-MNOVXSKESA-N 2 2 293.371 -0.429 20 0 CBADLP CNC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001419997551 906889200 /nfs/dbraw/zinc/88/92/00/906889200.db2.gz QQHZEYPNEGVFGQ-LBPRGKRZSA-N 2 2 284.404 -0.393 20 0 CBADLP CNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001419997551 906889205 /nfs/dbraw/zinc/88/92/05/906889205.db2.gz QQHZEYPNEGVFGQ-LBPRGKRZSA-N 2 2 284.404 -0.393 20 0 CBADLP CNC(=O)C[NH+](C)CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001419997551 906889212 /nfs/dbraw/zinc/88/92/12/906889212.db2.gz QQHZEYPNEGVFGQ-LBPRGKRZSA-N 2 2 284.404 -0.393 20 0 CBADLP CNC(=O)C[NH+](C)CCN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001419997551 906889216 /nfs/dbraw/zinc/88/92/16/906889216.db2.gz QQHZEYPNEGVFGQ-LBPRGKRZSA-N 2 2 284.404 -0.393 20 0 CBADLP COC[C@@H](O)C[N@H+](C)CCN(C)C(=O)Cc1c[nH+]cn1C ZINC001420036435 906903697 /nfs/dbraw/zinc/90/36/97/906903697.db2.gz JVQJVZZKSKZZPK-ZDUSSCGKSA-N 2 2 298.387 -0.640 20 0 CBADLP COC[C@@H](O)C[N@@H+](C)CCN(C)C(=O)Cc1c[nH+]cn1C ZINC001420036435 906903713 /nfs/dbraw/zinc/90/37/13/906903713.db2.gz JVQJVZZKSKZZPK-ZDUSSCGKSA-N 2 2 298.387 -0.640 20 0 CBADLP CC1CC[NH+](CC(=O)N(C)CC[N@H+](C)CC(N)=O)CC1 ZINC001420046576 906906118 /nfs/dbraw/zinc/90/61/18/906906118.db2.gz QDDOVDDUWIFVCV-UHFFFAOYSA-N 2 2 284.404 -0.406 20 0 CBADLP CC1CC[NH+](CC(=O)N(C)CC[N@@H+](C)CC(N)=O)CC1 ZINC001420046576 906906132 /nfs/dbraw/zinc/90/61/32/906906132.db2.gz QDDOVDDUWIFVCV-UHFFFAOYSA-N 2 2 284.404 -0.406 20 0 CBADLP C[C@@H](CCNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@@H](C)C(=O)N(C)C ZINC001420140658 906964345 /nfs/dbraw/zinc/96/43/45/906964345.db2.gz KVSGRQUMRMKPLL-QWRGUYRKSA-N 2 2 295.387 -0.087 20 0 CBADLP CNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001420149280 906968337 /nfs/dbraw/zinc/96/83/37/906968337.db2.gz SIQHFWUACZIVKX-QWRGUYRKSA-N 2 2 295.387 -0.181 20 0 CBADLP CNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001420149280 906968351 /nfs/dbraw/zinc/96/83/51/906968351.db2.gz SIQHFWUACZIVKX-QWRGUYRKSA-N 2 2 295.387 -0.181 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@@H](C)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001420150801 906969697 /nfs/dbraw/zinc/96/96/97/906969697.db2.gz AJJVIEWVKYMTRL-UWVGGRQHSA-N 2 2 281.360 -0.429 20 0 CBADLP CCNC(=O)C[NH2+][C@H](C)CCNC(=O)Cn1cc[nH+]c1 ZINC001420167893 906980070 /nfs/dbraw/zinc/98/00/70/906980070.db2.gz HTHHAMQXBLQHPX-LLVKDONJSA-N 2 2 281.360 -0.496 20 0 CBADLP COC[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001420186724 907003459 /nfs/dbraw/zinc/00/34/59/907003459.db2.gz RGLMBHVKCUEQGX-NXEZZACHSA-N 2 2 270.333 -0.946 20 0 CBADLP CCN(CC[NH2+][C@H]1CCNC1=O)C(=O)CCn1cc[nH+]c1 ZINC001420246640 907042295 /nfs/dbraw/zinc/04/22/95/907042295.db2.gz SSVXWWWLLKBAOS-LBPRGKRZSA-N 2 2 293.371 -0.400 20 0 CBADLP CC(C)[C@@H](C(=O)NCC[N@H+](C)CC(=O)N(C)C)[NH+](C)C ZINC001420254200 907048091 /nfs/dbraw/zinc/04/80/91/907048091.db2.gz UZTGHVUCVZVYHZ-ZDUSSCGKSA-N 2 2 286.420 -0.291 20 0 CBADLP CC(C)[C@@H](C(=O)NCC[N@@H+](C)CC(=O)N(C)C)[NH+](C)C ZINC001420254200 907048100 /nfs/dbraw/zinc/04/81/00/907048100.db2.gz UZTGHVUCVZVYHZ-ZDUSSCGKSA-N 2 2 286.420 -0.291 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NCC[N@@H+](C)[C@H](C)C(=O)N(C)C ZINC001420267169 907057013 /nfs/dbraw/zinc/05/70/13/907057013.db2.gz BAQZBHABDLZPJZ-GFCCVEGCSA-N 2 2 295.387 -0.284 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NCC[N@H+](C)[C@H](C)C(=O)N(C)C ZINC001420267169 907057025 /nfs/dbraw/zinc/05/70/25/907057025.db2.gz BAQZBHABDLZPJZ-GFCCVEGCSA-N 2 2 295.387 -0.284 20 0 CBADLP C[C@@H](C(N)=O)[N@H+](C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001420285429 907075409 /nfs/dbraw/zinc/07/54/09/907075409.db2.gz PEECKTYKPZTVSQ-NSHDSACASA-N 2 2 284.404 -0.217 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001420285429 907075428 /nfs/dbraw/zinc/07/54/28/907075428.db2.gz PEECKTYKPZTVSQ-NSHDSACASA-N 2 2 284.404 -0.217 20 0 CBADLP C[C@@H](C(N)=O)[N@H+](C)CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001420319151 907095343 /nfs/dbraw/zinc/09/53/43/907095343.db2.gz KLNWQHZTXPPATH-LBPRGKRZSA-N 2 2 284.404 -0.360 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001420319151 907095360 /nfs/dbraw/zinc/09/53/60/907095360.db2.gz KLNWQHZTXPPATH-LBPRGKRZSA-N 2 2 284.404 -0.360 20 0 CBADLP Cc1nnc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)[nH]1 ZINC001420320606 907099656 /nfs/dbraw/zinc/09/96/56/907099656.db2.gz CNZJKQFRULQYEX-MWLCHTKSSA-N 2 2 280.376 -0.198 20 0 CBADLP Cc1nnc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C)[nH]1 ZINC001420320606 907099670 /nfs/dbraw/zinc/09/96/70/907099670.db2.gz CNZJKQFRULQYEX-MWLCHTKSSA-N 2 2 280.376 -0.198 20 0 CBADLP C[C@H](C[NH2+][C@H]1CCCNC1=O)NC(=O)Cc1c[nH]c[nH+]1 ZINC001420346076 907115531 /nfs/dbraw/zinc/11/55/31/907115531.db2.gz PGKRZZGZUYUDSR-KOLCDFICSA-N 2 2 279.344 -0.675 20 0 CBADLP CCCNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001420352287 907120125 /nfs/dbraw/zinc/12/01/25/907120125.db2.gz MXUHMDIGIWHIFY-MNOVXSKESA-N 2 2 295.387 -0.039 20 0 CBADLP C[C@@H](C[NH2+][C@@H](C)C(=O)N(C)C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001420429905 907160298 /nfs/dbraw/zinc/16/02/98/907160298.db2.gz SRJWLHUUUWGJSB-QWRGUYRKSA-N 2 2 295.387 -0.087 20 0 CBADLP C[C@@H](C[NH2+][C@@H](C)C(=O)N(C)C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001420429905 907160309 /nfs/dbraw/zinc/16/03/09/907160309.db2.gz SRJWLHUUUWGJSB-QWRGUYRKSA-N 2 2 295.387 -0.087 20 0 CBADLP C[C@@H](C[NH2+][C@H]1CCNC1=O)NC(=O)CCc1[nH+]ccn1C ZINC001420447541 907164708 /nfs/dbraw/zinc/16/47/08/907164708.db2.gz JVWGLDNSJKQXOT-QWRGUYRKSA-N 2 2 293.371 -0.665 20 0 CBADLP CC[C@H]([NH2+]C[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C)C(N)=O ZINC001420501806 907187529 /nfs/dbraw/zinc/18/75/29/907187529.db2.gz QVGDWYZYCNYOBO-WPRPVWTQSA-N 2 2 281.360 -0.381 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C[NH2+][C@H]1CCCNC1=O ZINC001420503595 907188808 /nfs/dbraw/zinc/18/88/08/907188808.db2.gz UXOWHFYIJKFSBN-ONGXEEELSA-N 2 2 293.371 -0.366 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001420559091 907210539 /nfs/dbraw/zinc/21/05/39/907210539.db2.gz VADNQCOEZNDIKP-MNOVXSKESA-N 2 2 293.371 -0.427 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001420559091 907210557 /nfs/dbraw/zinc/21/05/57/907210557.db2.gz VADNQCOEZNDIKP-MNOVXSKESA-N 2 2 293.371 -0.427 20 0 CBADLP C[C@H](C[N@H+](C)[C@@H]1CCN(C)C1=O)NC(=O)Cn1cc[nH+]c1 ZINC001420673503 907264867 /nfs/dbraw/zinc/26/48/67/907264867.db2.gz RTBDDCTWDZRDDE-VXGBXAGGSA-N 2 2 293.371 -0.450 20 0 CBADLP C[C@H](C[N@@H+](C)[C@@H]1CCN(C)C1=O)NC(=O)Cn1cc[nH+]c1 ZINC001420673503 907264884 /nfs/dbraw/zinc/26/48/84/907264884.db2.gz RTBDDCTWDZRDDE-VXGBXAGGSA-N 2 2 293.371 -0.450 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001420873174 907329480 /nfs/dbraw/zinc/32/94/80/907329480.db2.gz MSCLSNLTCFVHRE-LLVKDONJSA-N 2 2 293.371 -0.474 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001420873174 907329498 /nfs/dbraw/zinc/32/94/98/907329498.db2.gz MSCLSNLTCFVHRE-LLVKDONJSA-N 2 2 293.371 -0.474 20 0 CBADLP CCC[N@H+](C)CC(=O)NC[C@@H]1CC[NH+]1[C@@H]1CCN(C)C1=O ZINC001420896020 907340623 /nfs/dbraw/zinc/34/06/23/907340623.db2.gz PIUYNPVFJADMBL-QWHCGFSZSA-N 2 2 296.415 -0.251 20 0 CBADLP CCC[N@@H+](C)CC(=O)NC[C@@H]1CC[NH+]1[C@@H]1CCN(C)C1=O ZINC001420896020 907340637 /nfs/dbraw/zinc/34/06/37/907340637.db2.gz PIUYNPVFJADMBL-QWHCGFSZSA-N 2 2 296.415 -0.251 20 0 CBADLP CCC[NH+](C)CC(=O)NC[C@@H]1CC[N@@H+]1[C@@H]1CCN(C)C1=O ZINC001420896020 907340654 /nfs/dbraw/zinc/34/06/54/907340654.db2.gz PIUYNPVFJADMBL-QWHCGFSZSA-N 2 2 296.415 -0.251 20 0 CBADLP CCC[NH+](C)CC(=O)NC[C@@H]1CC[N@H+]1[C@@H]1CCN(C)C1=O ZINC001420896020 907340668 /nfs/dbraw/zinc/34/06/68/907340668.db2.gz PIUYNPVFJADMBL-QWHCGFSZSA-N 2 2 296.415 -0.251 20 0 CBADLP CCC[N@H+](C)CC(=O)NC[C@@H]1CC[NH+]1[C@H]1CCN(C)C1=O ZINC001420896023 907343360 /nfs/dbraw/zinc/34/33/60/907343360.db2.gz PIUYNPVFJADMBL-STQMWFEESA-N 2 2 296.415 -0.251 20 0 CBADLP CCC[N@@H+](C)CC(=O)NC[C@@H]1CC[NH+]1[C@H]1CCN(C)C1=O ZINC001420896023 907343375 /nfs/dbraw/zinc/34/33/75/907343375.db2.gz PIUYNPVFJADMBL-STQMWFEESA-N 2 2 296.415 -0.251 20 0 CBADLP CCC[NH+](C)CC(=O)NC[C@@H]1CC[N@@H+]1[C@H]1CCN(C)C1=O ZINC001420896023 907343392 /nfs/dbraw/zinc/34/33/92/907343392.db2.gz PIUYNPVFJADMBL-STQMWFEESA-N 2 2 296.415 -0.251 20 0 CBADLP CCC[NH+](C)CC(=O)NC[C@@H]1CC[N@H+]1[C@H]1CCN(C)C1=O ZINC001420896023 907343409 /nfs/dbraw/zinc/34/34/09/907343409.db2.gz PIUYNPVFJADMBL-STQMWFEESA-N 2 2 296.415 -0.251 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NC[C@H]1CC[NH+]1[C@H](C)C(=O)N(C)C ZINC001420905972 907345714 /nfs/dbraw/zinc/34/57/14/907345714.db2.gz CTPCIJUIKYMAFZ-CHWSQXEVSA-N 2 2 298.431 -0.006 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NC[C@H]1CC[NH+]1[C@H](C)C(=O)N(C)C ZINC001420905972 907345731 /nfs/dbraw/zinc/34/57/31/907345731.db2.gz CTPCIJUIKYMAFZ-CHWSQXEVSA-N 2 2 298.431 -0.006 20 0 CBADLP CC(C)[NH+](C)CC(=O)NC[C@H]1CC[N@@H+]1[C@H](C)C(=O)N(C)C ZINC001420905972 907345751 /nfs/dbraw/zinc/34/57/51/907345751.db2.gz CTPCIJUIKYMAFZ-CHWSQXEVSA-N 2 2 298.431 -0.006 20 0 CBADLP CC(C)[NH+](C)CC(=O)NC[C@H]1CC[N@H+]1[C@H](C)C(=O)N(C)C ZINC001420905972 907345771 /nfs/dbraw/zinc/34/57/71/907345771.db2.gz CTPCIJUIKYMAFZ-CHWSQXEVSA-N 2 2 298.431 -0.006 20 0 CBADLP COC[C@@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001420906765 907346255 /nfs/dbraw/zinc/34/62/55/907346255.db2.gz AEKIFWSQIWJCJZ-NEPJUHHUSA-N 2 2 282.344 -0.919 20 0 CBADLP COC[C@@H](O)C[N@H+]1CC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001420906765 907346270 /nfs/dbraw/zinc/34/62/70/907346270.db2.gz AEKIFWSQIWJCJZ-NEPJUHHUSA-N 2 2 282.344 -0.919 20 0 CBADLP Cc1nnc(C[NH2+]C2(CNC(=O)[C@@H]3CCC[N@H+]3C)CC2)[nH]1 ZINC001420922133 907361638 /nfs/dbraw/zinc/36/16/38/907361638.db2.gz OICPMPCXHGLOER-NSHDSACASA-N 2 2 292.387 -0.054 20 0 CBADLP Cc1nnc(C[NH2+]C2(CNC(=O)[C@@H]3CCC[N@@H+]3C)CC2)[nH]1 ZINC001420922133 907361656 /nfs/dbraw/zinc/36/16/56/907361656.db2.gz OICPMPCXHGLOER-NSHDSACASA-N 2 2 292.387 -0.054 20 0 CBADLP C[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](CC(=O)NC2CC2)C1 ZINC001421002112 907385697 /nfs/dbraw/zinc/38/56/97/907385697.db2.gz CRSPFAPKUWITPI-ZDUSSCGKSA-N 2 2 296.415 -0.203 20 0 CBADLP C[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+](CC(=O)NC2CC2)C1 ZINC001421002112 907385717 /nfs/dbraw/zinc/38/57/17/907385717.db2.gz CRSPFAPKUWITPI-ZDUSSCGKSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]C[C@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001421119366 907433763 /nfs/dbraw/zinc/43/37/63/907433763.db2.gz UHYRIWFCTHFTAP-WDEREUQCSA-N 2 2 293.371 -0.333 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001421119351 907434441 /nfs/dbraw/zinc/43/44/41/907434441.db2.gz UHYRIWFCTHFTAP-MNOVXSKESA-N 2 2 293.371 -0.333 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001421114562 907435893 /nfs/dbraw/zinc/43/58/93/907435893.db2.gz FYIGMVNCMODPDE-LBPRGKRZSA-N 2 2 293.371 -0.331 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001421114562 907435902 /nfs/dbraw/zinc/43/59/02/907435902.db2.gz FYIGMVNCMODPDE-LBPRGKRZSA-N 2 2 293.371 -0.331 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001421147312 907442293 /nfs/dbraw/zinc/44/22/93/907442293.db2.gz BJILYPXGWZADKZ-NSHDSACASA-N 2 2 296.415 -0.217 20 0 CBADLP CC(C)NC(=O)C[NH+]1CC(CNC(=O)CCC[NH+](C)C)C1 ZINC001421167887 907453111 /nfs/dbraw/zinc/45/31/11/907453111.db2.gz GTAURLBUDPYXJZ-UHFFFAOYSA-N 2 2 298.431 -0.099 20 0 CBADLP CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001421271821 907480802 /nfs/dbraw/zinc/48/08/02/907480802.db2.gz UAPFATADWHULLF-GFCCVEGCSA-N 2 2 296.415 -0.345 20 0 CBADLP CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001421271821 907480808 /nfs/dbraw/zinc/48/08/08/907480808.db2.gz UAPFATADWHULLF-GFCCVEGCSA-N 2 2 296.415 -0.345 20 0 CBADLP COC[C@@H](C)[NH+]1CC(O)(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001421457066 907556560 /nfs/dbraw/zinc/55/65/60/907556560.db2.gz MLGDCIZJYLBTER-CHWSQXEVSA-N 2 2 299.415 -0.332 20 0 CBADLP COC[C@@H](C)[NH+]1CC(O)(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001421457066 907556569 /nfs/dbraw/zinc/55/65/69/907556569.db2.gz MLGDCIZJYLBTER-CHWSQXEVSA-N 2 2 299.415 -0.332 20 0 CBADLP COC[C@H](C)[NH+]1CC(O)(CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001421481510 907563444 /nfs/dbraw/zinc/56/34/44/907563444.db2.gz IYEZXHLGTCOSFV-STQMWFEESA-N 2 2 299.415 -0.474 20 0 CBADLP COC[C@H](C)[NH+]1CC(O)(CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001421481510 907563459 /nfs/dbraw/zinc/56/34/59/907563459.db2.gz IYEZXHLGTCOSFV-STQMWFEESA-N 2 2 299.415 -0.474 20 0 CBADLP COC[C@@H](C)[NH+]1CC(O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001421503473 907569415 /nfs/dbraw/zinc/56/94/15/907569415.db2.gz ITZZATYZTIMUKX-GFCCVEGCSA-N 2 2 285.388 -0.720 20 0 CBADLP CC[N@@H+]1CCC[C@@](CO)(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001421622168 907597294 /nfs/dbraw/zinc/59/72/94/907597294.db2.gz RUSQZVGMMXAVJW-CQSZACIVSA-N 2 2 280.372 -0.074 20 0 CBADLP CC[N@H+]1CCC[C@@](CO)(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001421622168 907597304 /nfs/dbraw/zinc/59/73/04/907597304.db2.gz RUSQZVGMMXAVJW-CQSZACIVSA-N 2 2 280.372 -0.074 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001421652300 907603830 /nfs/dbraw/zinc/60/38/30/907603830.db2.gz XRATXUYWKSYGJV-VXGBXAGGSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@H]1CN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC[NH+]1CCO ZINC001421729184 907629151 /nfs/dbraw/zinc/62/91/51/907629151.db2.gz SMSQNVIRHURNQO-SOUVJXGZSA-N 2 2 283.416 -0.152 20 0 CBADLP C[C@H]1CN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC[NH+]1CCO ZINC001421729184 907629157 /nfs/dbraw/zinc/62/91/57/907629157.db2.gz SMSQNVIRHURNQO-SOUVJXGZSA-N 2 2 283.416 -0.152 20 0 CBADLP C[C@H]1CN(CC[NH+]2C[C@H]3CC[C@@H](C2)O3)CC[N@@H+]1CCO ZINC001421729184 907629160 /nfs/dbraw/zinc/62/91/60/907629160.db2.gz SMSQNVIRHURNQO-SOUVJXGZSA-N 2 2 283.416 -0.152 20 0 CBADLP C[C@H]1CN(CC[NH+]2C[C@H]3CC[C@@H](C2)O3)CC[N@H+]1CCO ZINC001421729184 907629167 /nfs/dbraw/zinc/62/91/67/907629167.db2.gz SMSQNVIRHURNQO-SOUVJXGZSA-N 2 2 283.416 -0.152 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]C[C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001421743516 907629905 /nfs/dbraw/zinc/62/99/05/907629905.db2.gz CQLOJJGRQVLKPO-ZJUUUORDSA-N 2 2 281.360 -0.571 20 0 CBADLP C[C@H](CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C[NH2+]CC(N)=O ZINC001421757461 907637440 /nfs/dbraw/zinc/63/74/40/907637440.db2.gz RDCXITCSQISUSJ-UWVGGRQHSA-N 2 2 281.360 -0.585 20 0 CBADLP C[C@H](CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C[NH2+]CC(N)=O ZINC001421757461 907637450 /nfs/dbraw/zinc/63/74/50/907637450.db2.gz RDCXITCSQISUSJ-UWVGGRQHSA-N 2 2 281.360 -0.585 20 0 CBADLP C[C@@H](CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C[NH2+]CC(N)=O ZINC001421757464 907637526 /nfs/dbraw/zinc/63/75/26/907637526.db2.gz RDCXITCSQISUSJ-ZJUUUORDSA-N 2 2 281.360 -0.585 20 0 CBADLP C[C@@H](CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C[NH2+]CC(N)=O ZINC001421757464 907637531 /nfs/dbraw/zinc/63/75/31/907637531.db2.gz RDCXITCSQISUSJ-ZJUUUORDSA-N 2 2 281.360 -0.585 20 0 CBADLP C[C@H](CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C[NH2+]CC(N)=O ZINC001421757462 907638157 /nfs/dbraw/zinc/63/81/57/907638157.db2.gz RDCXITCSQISUSJ-VHSXEESVSA-N 2 2 281.360 -0.585 20 0 CBADLP C[C@H](CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1)C[NH2+]CC(N)=O ZINC001421757462 907638170 /nfs/dbraw/zinc/63/81/70/907638170.db2.gz RDCXITCSQISUSJ-VHSXEESVSA-N 2 2 281.360 -0.585 20 0 CBADLP CC(C)[N@@H+]1CCO[C@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001421805898 907648347 /nfs/dbraw/zinc/64/83/47/907648347.db2.gz LBIPWBXAQLTRGM-CQSZACIVSA-N 2 2 299.415 -0.066 20 0 CBADLP CC(C)[N@H+]1CCO[C@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001421805898 907648349 /nfs/dbraw/zinc/64/83/49/907648349.db2.gz LBIPWBXAQLTRGM-CQSZACIVSA-N 2 2 299.415 -0.066 20 0 CBADLP CN(CCC[N@H+](C)CC(N)=O)C(=O)Cc1c[nH+]cn1C ZINC001421892410 907673395 /nfs/dbraw/zinc/67/33/95/907673395.db2.gz MFQPELGECGFHQG-UHFFFAOYSA-N 2 2 281.360 -0.772 20 0 CBADLP CN(CCC[N@@H+](C)CC(N)=O)C(=O)Cc1c[nH+]cn1C ZINC001421892410 907673401 /nfs/dbraw/zinc/67/34/01/907673401.db2.gz MFQPELGECGFHQG-UHFFFAOYSA-N 2 2 281.360 -0.772 20 0 CBADLP C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)CCn1cc[nH+]c1)C(N)=O ZINC001421924141 907683142 /nfs/dbraw/zinc/68/31/42/907683142.db2.gz CQGHXVFGCHOEKX-WDEREUQCSA-N 2 2 281.360 -0.417 20 0 CBADLP C[C@@H](C[NH2+][C@@H]1CCNC1=O)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001421951377 907685434 /nfs/dbraw/zinc/68/54/34/907685434.db2.gz BAXOTFQDWDMUFW-GXSJLCMTSA-N 2 2 279.344 -0.723 20 0 CBADLP C[C@H](C[NH2+][C@@H]1CCNC1=O)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001421951381 907685546 /nfs/dbraw/zinc/68/55/46/907685546.db2.gz BAXOTFQDWDMUFW-MWLCHTKSSA-N 2 2 279.344 -0.723 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]C[C@H](C)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001421960037 907691251 /nfs/dbraw/zinc/69/12/51/907691251.db2.gz NEQCEDSJOYXNHS-UWVGGRQHSA-N 2 2 281.360 -0.477 20 0 CBADLP C[C@H](C[NH2+][C@@H]1CCNC1=O)N(C)C(=O)Cc1c[nH+]cn1C ZINC001421999599 907701342 /nfs/dbraw/zinc/70/13/42/907701342.db2.gz WICCBQNQLHEVIE-ZYHUDNBSSA-N 2 2 293.371 -0.712 20 0 CBADLP C[C@@H](C[NH2+][C@@H]1CCNC1=O)N(C)C(=O)Cc1c[nH+]cn1C ZINC001421999594 907701536 /nfs/dbraw/zinc/70/15/36/907701536.db2.gz WICCBQNQLHEVIE-CMPLNLGQSA-N 2 2 293.371 -0.712 20 0 CBADLP C[C@@H](O)C[NH2+]CC1(NC(=O)Cc2c[nH]c[nH+]2)CCOCC1 ZINC001421998516 907703688 /nfs/dbraw/zinc/70/36/88/907703688.db2.gz HAHSGMXEDRSYAJ-LLVKDONJSA-N 2 2 296.371 -0.412 20 0 CBADLP CC(C)[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@@H](C)C(N)=O ZINC001422141393 907724660 /nfs/dbraw/zinc/72/46/60/907724660.db2.gz WHNRSAHSZFPBIY-VHSXEESVSA-N 2 2 281.360 -0.444 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N(C)CC[N@@H+](C)CC(=O)N(C)C ZINC001422174360 907740091 /nfs/dbraw/zinc/74/00/91/907740091.db2.gz LIDRXDSUEWUBJD-UHFFFAOYSA-N 2 2 295.387 -0.330 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N(C)CC[N@H+](C)CC(=O)N(C)C ZINC001422174360 907740097 /nfs/dbraw/zinc/74/00/97/907740097.db2.gz LIDRXDSUEWUBJD-UHFFFAOYSA-N 2 2 295.387 -0.330 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](CNS(C)(=O)=O)C1 ZINC001422217714 907751188 /nfs/dbraw/zinc/75/11/88/907751188.db2.gz ZCTUGPYEBHVVMY-NEPJUHHUSA-N 2 2 293.433 -0.830 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](CNS(C)(=O)=O)C1 ZINC001422217714 907751197 /nfs/dbraw/zinc/75/11/97/907751197.db2.gz ZCTUGPYEBHVVMY-NEPJUHHUSA-N 2 2 293.433 -0.830 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](CNS(C)(=O)=O)C1 ZINC001422217714 907751207 /nfs/dbraw/zinc/75/12/07/907751207.db2.gz ZCTUGPYEBHVVMY-NEPJUHHUSA-N 2 2 293.433 -0.830 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](CNS(C)(=O)=O)C1 ZINC001422217714 907751218 /nfs/dbraw/zinc/75/12/18/907751218.db2.gz ZCTUGPYEBHVVMY-NEPJUHHUSA-N 2 2 293.433 -0.830 20 0 CBADLP CN(CC[N@H+](C)Cc1cnnn1C)C(=O)C[NH+]1CCCC1 ZINC001422240113 907758540 /nfs/dbraw/zinc/75/85/40/907758540.db2.gz WDIFAIMDAVCMPR-UHFFFAOYSA-N 2 2 294.403 -0.199 20 0 CBADLP CN(CC[N@@H+](C)Cc1cnnn1C)C(=O)C[NH+]1CCCC1 ZINC001422240113 907758553 /nfs/dbraw/zinc/75/85/53/907758553.db2.gz WDIFAIMDAVCMPR-UHFFFAOYSA-N 2 2 294.403 -0.199 20 0 CBADLP CC[C@@H]([NH2+]CC1CC(NC(=O)Cc2[nH]cc[nH+]2)C1)C(N)=O ZINC001422286599 907781604 /nfs/dbraw/zinc/78/16/04/907781604.db2.gz TZDLZOQQPMWLRF-VQXHTEKXSA-N 2 2 293.371 -0.300 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCN3C[C@@H](F)C[C@H]3C2)CC1 ZINC001422372216 907830361 /nfs/dbraw/zinc/83/03/61/907830361.db2.gz JQCJOLKSLSJGCP-KBPBESRZSA-N 2 2 298.406 -0.122 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCN3C[C@@H](F)C[C@H]3C2)CC1 ZINC001422372216 907830377 /nfs/dbraw/zinc/83/03/77/907830377.db2.gz JQCJOLKSLSJGCP-KBPBESRZSA-N 2 2 298.406 -0.122 20 0 CBADLP CO[C@H](C)C[NH2+]C[C@H](O)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001422389282 907838396 /nfs/dbraw/zinc/83/83/96/907838396.db2.gz IHRQVXYTJFSDAK-KOLCDFICSA-N 2 2 284.360 -0.638 20 0 CBADLP C[C@H](CC[NH2+][C@H](C)C(N)=O)NC(=O)Cc1c[nH+]cn1C ZINC001422438060 907859452 /nfs/dbraw/zinc/85/94/52/907859452.db2.gz KWEHLLNLUWKNPC-NXEZZACHSA-N 2 2 281.360 -0.679 20 0 CBADLP CCN(CC[NH2+][C@@H](C)C(=O)NC)C(=O)CCn1cc[nH+]c1 ZINC001422452555 907861403 /nfs/dbraw/zinc/86/14/03/907861403.db2.gz XZPXPGRFFOWFFQ-LBPRGKRZSA-N 2 2 295.387 -0.154 20 0 CBADLP CCN(CC[NH2+][C@@H](C)C(N)=O)C(=O)CCc1c[nH+]cn1C ZINC001422462160 907866374 /nfs/dbraw/zinc/86/63/74/907866374.db2.gz UZIMDBCLWIRUHO-NSHDSACASA-N 2 2 295.387 -0.335 20 0 CBADLP Cc1nocc1C[NH2+]C[C@@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001422474739 907877894 /nfs/dbraw/zinc/87/78/94/907877894.db2.gz IGARUSRKAVGKFL-ZWNOBZJWSA-N 2 2 296.371 -0.092 20 0 CBADLP Cc1nocc1C[NH2+]C[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001422474739 907877911 /nfs/dbraw/zinc/87/79/11/907877911.db2.gz IGARUSRKAVGKFL-ZWNOBZJWSA-N 2 2 296.371 -0.092 20 0 CBADLP COCC[NH+]1CC2(C1)C[C@H](NC(=O)CC[NH+](C)C)CO2 ZINC001502464216 921362232 /nfs/dbraw/zinc/36/22/32/921362232.db2.gz GCVNQILQBMFSIS-LBPRGKRZSA-N 2 2 285.388 -0.456 20 0 CBADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[N@H+](C)CCn1cncn1 ZINC001422577401 907932698 /nfs/dbraw/zinc/93/26/98/907932698.db2.gz VAETYNRSRCLVGT-NSHDSACASA-N 2 2 291.359 -0.320 20 0 CBADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[N@@H+](C)CCn1cncn1 ZINC001422577401 907932710 /nfs/dbraw/zinc/93/27/10/907932710.db2.gz VAETYNRSRCLVGT-NSHDSACASA-N 2 2 291.359 -0.320 20 0 CBADLP CN(C)c1ncc(C[NH2+]CC(=O)N2CC[NH+](C)CC2)cn1 ZINC001422602012 907941557 /nfs/dbraw/zinc/94/15/57/907941557.db2.gz CKXUUIYLTRAUMB-UHFFFAOYSA-N 2 2 292.387 -0.594 20 0 CBADLP C[C@@H](O)C[NH+]1CC(CCO)(NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001422629360 907955070 /nfs/dbraw/zinc/95/50/70/907955070.db2.gz WUOGVNOYKPTSDT-GFCCVEGCSA-N 2 2 299.415 -0.596 20 0 CBADLP CO[C@@H](C)C[NH+]1CC(CCO)(NC(=O)CC[NH+](C)C)C1 ZINC001422645127 907962321 /nfs/dbraw/zinc/96/23/21/907962321.db2.gz WCXUKFGWUXOGTO-LBPRGKRZSA-N 2 2 287.404 -0.474 20 0 CBADLP C[C@@H](C[NH2+][C@H]1CCCNC1=O)NC(=O)Cc1c[nH]c[nH+]1 ZINC001422710860 907980903 /nfs/dbraw/zinc/98/09/03/907980903.db2.gz PGKRZZGZUYUDSR-ONGXEEELSA-N 2 2 279.344 -0.675 20 0 CBADLP CCC[N@H+](C)CC(=O)N[C@@H](C)C1C[NH+](CC(N)=O)C1 ZINC001422752455 907992822 /nfs/dbraw/zinc/99/28/22/907992822.db2.gz DVRTZVMWLRRPIA-JTQLQIEISA-N 2 2 270.377 -0.750 20 0 CBADLP CCC[N@@H+](C)CC(=O)N[C@@H](C)C1C[NH+](CC(N)=O)C1 ZINC001422752455 907992838 /nfs/dbraw/zinc/99/28/38/907992838.db2.gz DVRTZVMWLRRPIA-JTQLQIEISA-N 2 2 270.377 -0.750 20 0 CBADLP CC[C@@H](C(=O)N[C@H](C)C1C[NH+](CC(N)=O)C1)[NH+](C)C ZINC001422751152 907995233 /nfs/dbraw/zinc/99/52/33/907995233.db2.gz JEHGULMPFIDEHF-KOLCDFICSA-N 2 2 270.377 -0.752 20 0 CBADLP CCn1cc(C[NH2+]C[C@H](C)NC(=O)Cn2cc[nH+]c2)nn1 ZINC001422757535 907996472 /nfs/dbraw/zinc/99/64/72/907996472.db2.gz KMFMBAXUKYDNGW-NSHDSACASA-N 2 2 291.359 -0.211 20 0 CBADLP C[C@@H](O)C[NH2+][C@]1(CO)CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001502591612 921372293 /nfs/dbraw/zinc/37/22/93/921372293.db2.gz CLNWNMKOWBCOKY-BXUZGUMPSA-N 2 2 296.371 -0.724 20 0 CBADLP NC(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001422840328 908025861 /nfs/dbraw/zinc/02/58/61/908025861.db2.gz QAADEPTZGDBXBW-CNDDSTCGSA-N 2 2 291.355 -0.948 20 0 CBADLP NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001422840328 908025877 /nfs/dbraw/zinc/02/58/77/908025877.db2.gz QAADEPTZGDBXBW-CNDDSTCGSA-N 2 2 291.355 -0.948 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)NC[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001422834136 908029309 /nfs/dbraw/zinc/02/93/09/908029309.db2.gz NVQIOAJBQZCZGN-ZSOGYDGISA-N 2 2 292.383 -0.361 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)NC[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001422834136 908029325 /nfs/dbraw/zinc/02/93/25/908029325.db2.gz NVQIOAJBQZCZGN-ZSOGYDGISA-N 2 2 292.383 -0.361 20 0 CBADLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H](C)C[N@H+](C)CC(N)=O ZINC001422875680 908044376 /nfs/dbraw/zinc/04/43/76/908044376.db2.gz BPRLYRZFZXHBSC-NSHDSACASA-N 2 2 295.387 -0.072 20 0 CBADLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H](C)C[N@@H+](C)CC(N)=O ZINC001422875680 908044390 /nfs/dbraw/zinc/04/43/90/908044390.db2.gz BPRLYRZFZXHBSC-NSHDSACASA-N 2 2 295.387 -0.072 20 0 CBADLP COC[C@@H](O)C[N@H+](C)C[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001422893499 908049749 /nfs/dbraw/zinc/04/97/49/908049749.db2.gz FXWBMDIKDXMQFT-QWRGUYRKSA-N 2 2 284.360 -0.604 20 0 CBADLP COC[C@@H](O)C[N@@H+](C)C[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001422893499 908049760 /nfs/dbraw/zinc/04/97/60/908049760.db2.gz FXWBMDIKDXMQFT-QWRGUYRKSA-N 2 2 284.360 -0.604 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001423105573 908111744 /nfs/dbraw/zinc/11/17/44/908111744.db2.gz BFLILFOODDSRHQ-VXGBXAGGSA-N 2 2 296.415 -0.217 20 0 CBADLP CC[C@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001423105573 908111752 /nfs/dbraw/zinc/11/17/52/908111752.db2.gz BFLILFOODDSRHQ-VXGBXAGGSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)[NH2+][C@@H]1CCNC1=O ZINC001423129482 908114528 /nfs/dbraw/zinc/11/45/28/908114528.db2.gz GUXPBHKDLZFDOP-GXSJLCMTSA-N 2 2 279.344 -0.723 20 0 CBADLP C[C@@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)[NH2+][C@@H]1CCCNC1=O ZINC001423143493 908119060 /nfs/dbraw/zinc/11/90/60/908119060.db2.gz VXWPPNVEWKSOHK-CMPLNLGQSA-N 2 2 293.371 -0.333 20 0 CBADLP C[C@H](CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1)[NH2+][C@H](C)C(N)=O ZINC001423145751 908119462 /nfs/dbraw/zinc/11/94/62/908119462.db2.gz HQCQIJOGSYGORD-NXEZZACHSA-N 2 2 295.387 -0.002 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CC[NH+]1CC(=O)N1CCC1 ZINC001423151985 908120362 /nfs/dbraw/zinc/12/03/62/908120362.db2.gz HTWMVDAJFIWUGK-ZDUSSCGKSA-N 2 2 296.415 -0.251 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CC[NH+]1CC(=O)N1CCC1 ZINC001423151985 908120369 /nfs/dbraw/zinc/12/03/69/908120369.db2.gz HTWMVDAJFIWUGK-ZDUSSCGKSA-N 2 2 296.415 -0.251 20 0 CBADLP CC(C)[NH+](C)CC(=O)NC[C@@H]1CC[N@@H+]1CC(=O)N1CCC1 ZINC001423151985 908120376 /nfs/dbraw/zinc/12/03/76/908120376.db2.gz HTWMVDAJFIWUGK-ZDUSSCGKSA-N 2 2 296.415 -0.251 20 0 CBADLP CC(C)[NH+](C)CC(=O)NC[C@@H]1CC[N@H+]1CC(=O)N1CCC1 ZINC001423151985 908120383 /nfs/dbraw/zinc/12/03/83/908120383.db2.gz HTWMVDAJFIWUGK-ZDUSSCGKSA-N 2 2 296.415 -0.251 20 0 CBADLP CCC[NH2+][C@H](CO)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001423224067 908164832 /nfs/dbraw/zinc/16/48/32/908164832.db2.gz BEWKEQUQEWVNRI-RYUDHWBXSA-N 2 2 280.372 -0.078 20 0 CBADLP NC(=O)C[NH2+]C1(CNC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001423240321 908173274 /nfs/dbraw/zinc/17/32/74/908173274.db2.gz WTWJESPANKIMGK-UHFFFAOYSA-N 2 2 287.323 -0.328 20 0 CBADLP C[C@@H](O)C[NH2+]C1(CNC(=O)CCc2[nH+]ccn2C)CC1 ZINC001423259627 908180290 /nfs/dbraw/zinc/18/02/90/908180290.db2.gz PULMUEJTRFHONW-LLVKDONJSA-N 2 2 280.372 -0.028 20 0 CBADLP CC[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc1coc(C)n1)[NH+](C)C ZINC001423292349 908191757 /nfs/dbraw/zinc/19/17/57/908191757.db2.gz IELAWKXQMMSXSV-WCQYABFASA-N 2 2 298.387 -0.110 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](CO)[NH2+]C[C@@H]1CCOC1 ZINC001423288963 908193556 /nfs/dbraw/zinc/19/35/56/908193556.db2.gz OVCYLLBATXKEQQ-NWDGAFQWSA-N 2 2 296.371 -0.636 20 0 CBADLP CCNC(=O)C[NH2+]C1(CNC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001423297831 908194511 /nfs/dbraw/zinc/19/45/11/908194511.db2.gz LKCWYEZHMHPPHN-UHFFFAOYSA-N 2 2 293.371 -0.365 20 0 CBADLP Cc1cc(C[NH2+][C@@H](CO)CNC(=O)C[N@@H+](C)C(C)C)no1 ZINC001423306764 908199711 /nfs/dbraw/zinc/19/97/11/908199711.db2.gz XQGPKYMHBUAJIA-CYBMUJFWSA-N 2 2 298.387 -0.110 20 0 CBADLP Cc1cc(C[NH2+][C@@H](CO)CNC(=O)C[N@H+](C)C(C)C)no1 ZINC001423306764 908199718 /nfs/dbraw/zinc/19/97/18/908199718.db2.gz XQGPKYMHBUAJIA-CYBMUJFWSA-N 2 2 298.387 -0.110 20 0 CBADLP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@@H]1C ZINC001423331712 908204532 /nfs/dbraw/zinc/20/45/32/908204532.db2.gz RVVRSDJWGIZAOI-GHMZBOCLSA-N 2 2 279.344 -0.792 20 0 CBADLP C[C@@H]1[C@@H]([NH2+]CC(=O)N(C)C)CCN1C(=O)Cn1cc[nH+]c1 ZINC001423329742 908207669 /nfs/dbraw/zinc/20/76/69/908207669.db2.gz OOSMANYYAYUKEI-NEPJUHHUSA-N 2 2 293.371 -0.450 20 0 CBADLP COC[C@H](O)C[N@@H+]1CC[C@](C)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001423599435 908288712 /nfs/dbraw/zinc/28/87/12/908288712.db2.gz HBVRMPSYJMYZLA-OCCSQVGLSA-N 2 2 296.371 -0.529 20 0 CBADLP COC[C@H](O)C[N@H+]1CC[C@](C)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001423599435 908288720 /nfs/dbraw/zinc/28/87/20/908288720.db2.gz HBVRMPSYJMYZLA-OCCSQVGLSA-N 2 2 296.371 -0.529 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CC[C@](C)(C[NH2+]CC(N)=O)C1 ZINC001423663296 908298998 /nfs/dbraw/zinc/29/89/98/908298998.db2.gz WKVBEYSCNMTCAD-CQSZACIVSA-N 2 2 293.371 -0.724 20 0 CBADLP C[NH+](C)CC1(C(=O)NCC2(O)C[NH+](CCCF)C2)CC1 ZINC001423870595 908362539 /nfs/dbraw/zinc/36/25/39/908362539.db2.gz OIBOWADJEIUGTK-UHFFFAOYSA-N 2 2 287.379 -0.149 20 0 CBADLP CCC[N@H+](C)CC(=O)NCC1(O)C[NH+](C[C@@H](C)OC)C1 ZINC001423920153 908373248 /nfs/dbraw/zinc/37/32/48/908373248.db2.gz SOHKXMCWVPDZED-GFCCVEGCSA-N 2 2 287.404 -0.474 20 0 CBADLP CCC[N@@H+](C)CC(=O)NCC1(O)C[NH+](C[C@@H](C)OC)C1 ZINC001423920153 908373266 /nfs/dbraw/zinc/37/32/66/908373266.db2.gz SOHKXMCWVPDZED-GFCCVEGCSA-N 2 2 287.404 -0.474 20 0 CBADLP CCC[N@@H+]1CCC[C@](CO)(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001424027874 908392520 /nfs/dbraw/zinc/39/25/20/908392520.db2.gz NHEDKMJGOBLSRC-HIFRSBDPSA-N 2 2 299.415 -0.330 20 0 CBADLP CCC[N@H+]1CCC[C@](CO)(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001424027874 908392534 /nfs/dbraw/zinc/39/25/34/908392534.db2.gz NHEDKMJGOBLSRC-HIFRSBDPSA-N 2 2 299.415 -0.330 20 0 CBADLP CCC[NH+]1CCC[C@](CO)(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001424027874 908392552 /nfs/dbraw/zinc/39/25/52/908392552.db2.gz NHEDKMJGOBLSRC-HIFRSBDPSA-N 2 2 299.415 -0.330 20 0 CBADLP CCC[NH+]1CCC[C@](CO)(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001424027874 908392566 /nfs/dbraw/zinc/39/25/66/908392566.db2.gz NHEDKMJGOBLSRC-HIFRSBDPSA-N 2 2 299.415 -0.330 20 0 CBADLP C[N@@H+]1CC[C@H](C(=O)N[C@@]2(CO)CCC[NH+](CCF)C2)C1 ZINC001424043769 908395895 /nfs/dbraw/zinc/39/58/95/908395895.db2.gz PLSZBSQKQIGKLB-JSGCOSHPSA-N 2 2 287.379 -0.149 20 0 CBADLP C[N@H+]1CC[C@H](C(=O)N[C@@]2(CO)CCC[NH+](CCF)C2)C1 ZINC001424043769 908395909 /nfs/dbraw/zinc/39/59/09/908395909.db2.gz PLSZBSQKQIGKLB-JSGCOSHPSA-N 2 2 287.379 -0.149 20 0 CBADLP C[NH+]1CC[C@H](C(=O)N[C@@]2(CO)CCC[N@H+](CCF)C2)C1 ZINC001424043769 908395919 /nfs/dbraw/zinc/39/59/19/908395919.db2.gz PLSZBSQKQIGKLB-JSGCOSHPSA-N 2 2 287.379 -0.149 20 0 CBADLP C[NH+]1CC[C@H](C(=O)N[C@@]2(CO)CCC[N@@H+](CCF)C2)C1 ZINC001424043769 908395934 /nfs/dbraw/zinc/39/59/34/908395934.db2.gz PLSZBSQKQIGKLB-JSGCOSHPSA-N 2 2 287.379 -0.149 20 0 CBADLP C[C@@H](O)C[NH2+]C1(CNC(=O)Cc2c[nH+]cn2C)CCC1 ZINC001424217493 908425838 /nfs/dbraw/zinc/42/58/38/908425838.db2.gz UCSRYGLBJLBNSL-LLVKDONJSA-N 2 2 280.372 -0.028 20 0 CBADLP CC[C@@H](C(=O)N[C@@H]1COC2(C[NH+](CCO)C2)C1)[NH+](C)C ZINC001424371985 908450650 /nfs/dbraw/zinc/45/06/50/908450650.db2.gz ZVJPDBAZHBOTJY-RYUDHWBXSA-N 2 2 285.388 -0.722 20 0 CBADLP C[C@H](CNC(=O)CCn1cc[nH+]c1)[N@H+](C)[C@H]1CCNC1=O ZINC001424982655 908544845 /nfs/dbraw/zinc/54/48/45/908544845.db2.gz MDDHVQITKUZJNQ-NEPJUHHUSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@H](CNC(=O)CCn1cc[nH+]c1)[N@@H+](C)[C@H]1CCNC1=O ZINC001424982655 908544867 /nfs/dbraw/zinc/54/48/67/908544867.db2.gz MDDHVQITKUZJNQ-NEPJUHHUSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@H](O)C[NH+]1CCC(CO)(NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001505389918 921419582 /nfs/dbraw/zinc/41/95/82/921419582.db2.gz GGHYVIUWFRMJQS-NSHDSACASA-N 2 2 296.371 -0.724 20 0 CBADLP C[C@@H]1CC[N@H+](CC(=O)NC2(CCO)C[NH+](CCCO)C2)C1 ZINC001425196375 908582638 /nfs/dbraw/zinc/58/26/38/908582638.db2.gz AJBFTZRMHXVFDS-CYBMUJFWSA-N 2 2 299.415 -0.736 20 0 CBADLP C[C@@H]1CC[N@@H+](CC(=O)NC2(CCO)C[NH+](CCCO)C2)C1 ZINC001425196375 908582654 /nfs/dbraw/zinc/58/26/54/908582654.db2.gz AJBFTZRMHXVFDS-CYBMUJFWSA-N 2 2 299.415 -0.736 20 0 CBADLP CC[C@@H]([NH2+][C@H](C)CN(C)C(=O)CCn1cc[nH+]c1)C(N)=O ZINC001425618212 908682744 /nfs/dbraw/zinc/68/27/44/908682744.db2.gz LHGGDGJISGLZQR-VXGBXAGGSA-N 2 2 295.387 -0.026 20 0 CBADLP O=C(NC1CC(C[NH2+]CCO)C1)[C@H]1CCc2c[nH+]cn2C1 ZINC001505505817 921433974 /nfs/dbraw/zinc/43/39/74/921433974.db2.gz WSSKRDAGZKDFJC-CPCZMJQVSA-N 2 2 292.383 -0.078 20 0 CBADLP O=C(CCn1cc[nH+]c1)NC[C@@H](CO)[NH2+]C[C@@H]1CCOC1 ZINC001425773892 908736284 /nfs/dbraw/zinc/73/62/84/908736284.db2.gz KCDUKJJZXBHDDL-STQMWFEESA-N 2 2 296.371 -0.624 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@H](CO)[NH2+]C[C@@H]1CCCCO1 ZINC001425818020 908750606 /nfs/dbraw/zinc/75/06/06/908750606.db2.gz GIMAHIPUAHGYCW-STQMWFEESA-N 2 2 296.371 -0.412 20 0 CBADLP C[C@H](CC(=O)NC[C@@H](CO)[NH2+]CCF)n1cc[nH+]c1 ZINC001425823071 908754969 /nfs/dbraw/zinc/75/49/69/908754969.db2.gz MXIMJRDUNNJQDL-MNOVXSKESA-N 2 2 272.324 -0.130 20 0 CBADLP C[C@@H](CC(=O)NC[C@H](CO)[NH2+]CCF)n1cc[nH+]c1 ZINC001425823073 908756743 /nfs/dbraw/zinc/75/67/43/908756743.db2.gz MXIMJRDUNNJQDL-WDEREUQCSA-N 2 2 272.324 -0.130 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001425973972 908789047 /nfs/dbraw/zinc/78/90/47/908789047.db2.gz USXLAYVYSMQCJE-MNOVXSKESA-N 2 2 293.371 -0.380 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@H](C[NH2+]CC(N)=O)C1 ZINC001425973976 908790721 /nfs/dbraw/zinc/79/07/21/908790721.db2.gz USXLAYVYSMQCJE-QWRGUYRKSA-N 2 2 293.371 -0.380 20 0 CBADLP CN(C[C@H](O)C[NH2+]Cc1cnon1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001425986083 908797102 /nfs/dbraw/zinc/79/71/02/908797102.db2.gz XGMPZUFTHJEGEF-NEPJUHHUSA-N 2 2 297.359 -0.927 20 0 CBADLP CN(C[C@H](O)C[NH2+]Cc1cnon1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001425986083 908797106 /nfs/dbraw/zinc/79/71/06/908797106.db2.gz XGMPZUFTHJEGEF-NEPJUHHUSA-N 2 2 297.359 -0.927 20 0 CBADLP CN(C[C@@H](O)C[NH2+]Cc1cnon1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001425986084 908798031 /nfs/dbraw/zinc/79/80/31/908798031.db2.gz XGMPZUFTHJEGEF-RYUDHWBXSA-N 2 2 297.359 -0.927 20 0 CBADLP CN(C[C@@H](O)C[NH2+]Cc1cnon1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001425986084 908798037 /nfs/dbraw/zinc/79/80/37/908798037.db2.gz XGMPZUFTHJEGEF-RYUDHWBXSA-N 2 2 297.359 -0.927 20 0 CBADLP C[C@H](O)C[NH2+]C[C@H](O)CN(C)C(=O)CCc1[nH+]ccn1C ZINC001426034817 908808556 /nfs/dbraw/zinc/80/85/56/908808556.db2.gz VAARHCREZJKTEJ-RYUDHWBXSA-N 2 2 298.387 -0.858 20 0 CBADLP C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001426504075 908872889 /nfs/dbraw/zinc/87/28/89/908872889.db2.gz OGDVJCMMEPPSRJ-VXGBXAGGSA-N 2 2 295.387 -0.156 20 0 CBADLP CNC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001505661660 921461272 /nfs/dbraw/zinc/46/12/72/921461272.db2.gz YDXLFQMDJHBQFK-QWRGUYRKSA-N 2 2 295.387 -0.419 20 0 CBADLP CNC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001505661658 921461539 /nfs/dbraw/zinc/46/15/39/921461539.db2.gz YDXLFQMDJHBQFK-GHMZBOCLSA-N 2 2 295.387 -0.419 20 0 CBADLP C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)[C@@H](C)[NH2+]CC(=O)N(C)C ZINC001505699373 921467600 /nfs/dbraw/zinc/46/76/00/921467600.db2.gz WPKRHQFPLANVJU-NXEZZACHSA-N 2 2 281.360 -0.477 20 0 CBADLP C[NH+](C)CCC(=O)N[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001428225768 909105958 /nfs/dbraw/zinc/10/59/58/909105958.db2.gz OMWOBXWFGXGSTP-HAQNSBGRSA-N 2 2 293.371 -0.402 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001428663271 909155062 /nfs/dbraw/zinc/15/50/62/909155062.db2.gz YXKKZZLWDZFYJO-NSHDSACASA-N 2 2 295.387 -0.087 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NC[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001428663271 909155068 /nfs/dbraw/zinc/15/50/68/909155068.db2.gz YXKKZZLWDZFYJO-NSHDSACASA-N 2 2 295.387 -0.087 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)[C@H](C)[NH2+]CC(=O)N(C)C ZINC001505737228 921473676 /nfs/dbraw/zinc/47/36/76/921473676.db2.gz CDWXAMLKLJNSFO-UWVGGRQHSA-N 2 2 295.387 -0.168 20 0 CBADLP CN(CCNC(=O)C[NH+]1CCCC1)C(=O)Cc1c[nH+]c[nH]1 ZINC001429257555 909224235 /nfs/dbraw/zinc/22/42/35/909224235.db2.gz RDXCQMGGGATOGI-UHFFFAOYSA-N 2 2 293.371 -0.377 20 0 CBADLP CC[C@H](C(=O)NCCN(C)C(=O)Cc1[nH]cc[nH+]1)[NH+](C)C ZINC001429332806 909228967 /nfs/dbraw/zinc/22/89/67/909228967.db2.gz XUYKVFVARJSBNY-LLVKDONJSA-N 2 2 295.387 -0.133 20 0 CBADLP CC(=O)N1CC[NH+](CCN(C)C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001430067051 909287677 /nfs/dbraw/zinc/28/76/77/909287677.db2.gz UCQHWZXOFWRORQ-CQSZACIVSA-N 2 2 296.415 -0.439 20 0 CBADLP CC(=O)N1CC[NH+](CCN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001430067051 909287687 /nfs/dbraw/zinc/28/76/87/909287687.db2.gz UCQHWZXOFWRORQ-CQSZACIVSA-N 2 2 296.415 -0.439 20 0 CBADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)CC(N)=O ZINC001505931327 921505154 /nfs/dbraw/zinc/50/51/54/921505154.db2.gz YDSRUKHUPYNSTF-NWDGAFQWSA-N 2 2 284.404 -0.217 20 0 CBADLP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)CC(N)=O ZINC001505931327 921505168 /nfs/dbraw/zinc/50/51/68/921505168.db2.gz YDSRUKHUPYNSTF-NWDGAFQWSA-N 2 2 284.404 -0.217 20 0 CBADLP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H](C)[N@H+](C)CC(N)=O ZINC001505931327 921505182 /nfs/dbraw/zinc/50/51/82/921505182.db2.gz YDSRUKHUPYNSTF-NWDGAFQWSA-N 2 2 284.404 -0.217 20 0 CBADLP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H](C)[N@@H+](C)CC(N)=O ZINC001505931327 921505196 /nfs/dbraw/zinc/50/51/96/921505196.db2.gz YDSRUKHUPYNSTF-NWDGAFQWSA-N 2 2 284.404 -0.217 20 0 CBADLP C[NH+](C)CCC(=O)NC1(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001432209990 909589790 /nfs/dbraw/zinc/58/97/90/909589790.db2.gz BEWNTROXLOQYJC-UHFFFAOYSA-N 2 2 293.371 -0.400 20 0 CBADLP NC(=O)C[N@@H+]1CCC2(CN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001432613885 909644593 /nfs/dbraw/zinc/64/45/93/909644593.db2.gz LCKZQOHTVHUYEU-UHFFFAOYSA-N 2 2 291.355 -0.707 20 0 CBADLP NC(=O)C[N@H+]1CCC2(CN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001432613885 909644600 /nfs/dbraw/zinc/64/46/00/909644600.db2.gz LCKZQOHTVHUYEU-UHFFFAOYSA-N 2 2 291.355 -0.707 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@]3(O)CCOC3)C2)CC1 ZINC001433667441 909806560 /nfs/dbraw/zinc/80/65/60/909806560.db2.gz AFUUCHYXPWSJQL-SWLSCSKDSA-N 2 2 297.399 -0.578 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@]3(O)CCOC3)C2)CC1 ZINC001433667441 909806571 /nfs/dbraw/zinc/80/65/71/909806571.db2.gz AFUUCHYXPWSJQL-SWLSCSKDSA-N 2 2 297.399 -0.578 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@]3(O)CCOC3)C2)CC1 ZINC001433667423 909808836 /nfs/dbraw/zinc/80/88/36/909808836.db2.gz AFUUCHYXPWSJQL-DOMZBBRYSA-N 2 2 297.399 -0.578 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@]3(O)CCOC3)C2)CC1 ZINC001433667423 909808853 /nfs/dbraw/zinc/80/88/53/909808853.db2.gz AFUUCHYXPWSJQL-DOMZBBRYSA-N 2 2 297.399 -0.578 20 0 CBADLP O=C(C[NH+]1CCCC1)NC1CC[NH+]([C@H]2CCOC2=O)CC1 ZINC001433831512 909871107 /nfs/dbraw/zinc/87/11/07/909871107.db2.gz FYALGOXTCCJWHM-ZDUSSCGKSA-N 2 2 295.383 -0.022 20 0 CBADLP C[C@@H](O)C[NH+]1CC(CCO)(NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001506119013 921550240 /nfs/dbraw/zinc/55/02/40/921550240.db2.gz GFRXUMYEZGPXGI-QWHCGFSZSA-N 2 2 299.415 -0.738 20 0 CBADLP C[C@@H](O)C[NH+]1CC(CCO)(NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001506119013 921550247 /nfs/dbraw/zinc/55/02/47/921550247.db2.gz GFRXUMYEZGPXGI-QWHCGFSZSA-N 2 2 299.415 -0.738 20 0 CBADLP C[C@H](O)C[NH+]1CC(CCO)(NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001506119014 921551381 /nfs/dbraw/zinc/55/13/81/921551381.db2.gz GFRXUMYEZGPXGI-STQMWFEESA-N 2 2 299.415 -0.738 20 0 CBADLP C[C@H](O)C[NH+]1CC(CCO)(NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001506119014 921551389 /nfs/dbraw/zinc/55/13/89/921551389.db2.gz GFRXUMYEZGPXGI-STQMWFEESA-N 2 2 299.415 -0.738 20 0 CBADLP CO[C@@H](C)C[NH+]1CC(CCO)(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001506141537 921552746 /nfs/dbraw/zinc/55/27/46/921552746.db2.gz YFKYFHAJQJKYDN-QWHCGFSZSA-N 2 2 299.415 -0.474 20 0 CBADLP CO[C@@H](C)C[NH+]1CC(CCO)(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001506141537 921552755 /nfs/dbraw/zinc/55/27/55/921552755.db2.gz YFKYFHAJQJKYDN-QWHCGFSZSA-N 2 2 299.415 -0.474 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)CCC[NH+](C)C ZINC001436330990 910426403 /nfs/dbraw/zinc/42/64/03/910426403.db2.gz NVMARGCRQJWBSD-CHWSQXEVSA-N 2 2 298.431 -0.005 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)CCC[NH+](C)C ZINC001436330990 910426418 /nfs/dbraw/zinc/42/64/18/910426418.db2.gz NVMARGCRQJWBSD-CHWSQXEVSA-N 2 2 298.431 -0.005 20 0 CBADLP CCC[N@H+](C)CC(=O)N(C)C[C@H]1CC[NH+]1[C@@H]1CCNC1=O ZINC001436324054 910430247 /nfs/dbraw/zinc/43/02/47/910430247.db2.gz AZIJIPHPACMRRP-CHWSQXEVSA-N 2 2 296.415 -0.251 20 0 CBADLP CCC[N@@H+](C)CC(=O)N(C)C[C@H]1CC[NH+]1[C@@H]1CCNC1=O ZINC001436324054 910430261 /nfs/dbraw/zinc/43/02/61/910430261.db2.gz AZIJIPHPACMRRP-CHWSQXEVSA-N 2 2 296.415 -0.251 20 0 CBADLP CCC[NH+](C)CC(=O)N(C)C[C@H]1CC[N@@H+]1[C@@H]1CCNC1=O ZINC001436324054 910430268 /nfs/dbraw/zinc/43/02/68/910430268.db2.gz AZIJIPHPACMRRP-CHWSQXEVSA-N 2 2 296.415 -0.251 20 0 CBADLP CCC[NH+](C)CC(=O)N(C)C[C@H]1CC[N@H+]1[C@@H]1CCNC1=O ZINC001436324054 910430294 /nfs/dbraw/zinc/43/02/94/910430294.db2.gz AZIJIPHPACMRRP-CHWSQXEVSA-N 2 2 296.415 -0.251 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CCC[C@@H]([NH+](CCO)CCO)C1 ZINC001436457619 910449070 /nfs/dbraw/zinc/44/90/70/910449070.db2.gz CFHBHCJKPPWAQH-CYBMUJFWSA-N 2 2 296.371 -0.839 20 0 CBADLP C[N@H+](CCO)C[C@@H]1CCCCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC001436490957 910453831 /nfs/dbraw/zinc/45/38/31/910453831.db2.gz JPELIKFZUXRIBL-UONOGXRCSA-N 2 2 299.415 -0.378 20 0 CBADLP C[N@@H+](CCO)C[C@@H]1CCCCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC001436490957 910453846 /nfs/dbraw/zinc/45/38/46/910453846.db2.gz JPELIKFZUXRIBL-UONOGXRCSA-N 2 2 299.415 -0.378 20 0 CBADLP C[NH+](CCO)C[C@@H]1CCCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001436490957 910453857 /nfs/dbraw/zinc/45/38/57/910453857.db2.gz JPELIKFZUXRIBL-UONOGXRCSA-N 2 2 299.415 -0.378 20 0 CBADLP C[NH+](CCO)C[C@@H]1CCCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001436490957 910453867 /nfs/dbraw/zinc/45/38/67/910453867.db2.gz JPELIKFZUXRIBL-UONOGXRCSA-N 2 2 299.415 -0.378 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001436893846 910506328 /nfs/dbraw/zinc/50/63/28/910506328.db2.gz FLDQWLABBDJRTD-YUSALJHKSA-N 2 2 293.371 -0.286 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001436893846 910506347 /nfs/dbraw/zinc/50/63/47/910506347.db2.gz FLDQWLABBDJRTD-YUSALJHKSA-N 2 2 293.371 -0.286 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001436926702 910508889 /nfs/dbraw/zinc/50/88/89/910508889.db2.gz QOIUWIFYJKSCDE-XYPYZODXSA-N 2 2 293.371 -0.414 20 0 CBADLP CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1)C(N)=O ZINC001436951816 910517077 /nfs/dbraw/zinc/51/70/77/910517077.db2.gz IRBQEKLLIOTBKI-TUAOUCFPSA-N 2 2 293.371 -0.157 20 0 CBADLP CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1)C(N)=O ZINC001436951816 910517083 /nfs/dbraw/zinc/51/70/83/910517083.db2.gz IRBQEKLLIOTBKI-TUAOUCFPSA-N 2 2 293.371 -0.157 20 0 CBADLP CC[C@@H]([NH2+][C@H](C)CNC(=O)CCc1c[nH]c[nH+]1)C(N)=O ZINC001437147612 910565176 /nfs/dbraw/zinc/56/51/76/910565176.db2.gz MTQLSSNDDGXTRF-MWLCHTKSSA-N 2 2 281.360 -0.300 20 0 CBADLP CC[C@@H]([NH2+][C@H](C)CNC(=O)CCc1c[nH+]c[nH]1)C(N)=O ZINC001437147612 910565186 /nfs/dbraw/zinc/56/51/86/910565186.db2.gz MTQLSSNDDGXTRF-MWLCHTKSSA-N 2 2 281.360 -0.300 20 0 CBADLP CNC(=O)C[NH2+][C@@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001437210489 910587208 /nfs/dbraw/zinc/58/72/08/910587208.db2.gz KGZKCYPAFUQBLM-QWRGUYRKSA-N 2 2 281.360 -0.326 20 0 CBADLP CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001437310400 910609808 /nfs/dbraw/zinc/60/98/08/910609808.db2.gz FCUQYRRNZUIDSG-LLVKDONJSA-N 2 2 293.371 -0.555 20 0 CBADLP CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001437309761 910610973 /nfs/dbraw/zinc/61/09/73/910610973.db2.gz JBMQBVNKMDGZQI-SNVBAGLBSA-N 2 2 279.344 -0.864 20 0 CBADLP CNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001437378160 910623175 /nfs/dbraw/zinc/62/31/75/910623175.db2.gz IOHFNLAHYFKJDG-GMTAPVOTSA-N 2 2 293.371 -0.256 20 0 CBADLP CNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001437378160 910623182 /nfs/dbraw/zinc/62/31/82/910623182.db2.gz IOHFNLAHYFKJDG-GMTAPVOTSA-N 2 2 293.371 -0.256 20 0 CBADLP C[C@@H](C(N)=O)[N@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001437483808 910659643 /nfs/dbraw/zinc/65/96/43/910659643.db2.gz PWAXEJYYTASKNP-WDEREUQCSA-N 2 2 270.377 -0.608 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001437483808 910659651 /nfs/dbraw/zinc/65/96/51/910659651.db2.gz PWAXEJYYTASKNP-WDEREUQCSA-N 2 2 270.377 -0.608 20 0 CBADLP C[C@@H](C(N)=O)[NH+](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001437483808 910659661 /nfs/dbraw/zinc/65/96/61/910659661.db2.gz PWAXEJYYTASKNP-WDEREUQCSA-N 2 2 270.377 -0.608 20 0 CBADLP C[C@@H](C(N)=O)[NH+](C)CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001437483808 910659671 /nfs/dbraw/zinc/65/96/71/910659671.db2.gz PWAXEJYYTASKNP-WDEREUQCSA-N 2 2 270.377 -0.608 20 0 CBADLP C[C@H]1CC[N@H+](CC(=O)NCC[NH+](C)CC(=O)NC2CC2)C1 ZINC001437518476 910670995 /nfs/dbraw/zinc/67/09/95/910670995.db2.gz WLABTECFMSPUNO-LBPRGKRZSA-N 2 2 296.415 -0.345 20 0 CBADLP C[C@H]1CC[N@@H+](CC(=O)NCC[NH+](C)CC(=O)NC2CC2)C1 ZINC001437518476 910671000 /nfs/dbraw/zinc/67/10/00/910671000.db2.gz WLABTECFMSPUNO-LBPRGKRZSA-N 2 2 296.415 -0.345 20 0 CBADLP C[C@H]1CC[NH+](CC(=O)NCC[N@H+](C)CC(=O)NC2CC2)C1 ZINC001437518476 910671006 /nfs/dbraw/zinc/67/10/06/910671006.db2.gz WLABTECFMSPUNO-LBPRGKRZSA-N 2 2 296.415 -0.345 20 0 CBADLP C[C@H]1CC[NH+](CC(=O)NCC[N@@H+](C)CC(=O)NC2CC2)C1 ZINC001437518476 910671011 /nfs/dbraw/zinc/67/10/11/910671011.db2.gz WLABTECFMSPUNO-LBPRGKRZSA-N 2 2 296.415 -0.345 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001437725105 910737434 /nfs/dbraw/zinc/73/74/34/910737434.db2.gz ODVSGLVCLSMAFA-MNOVXSKESA-N 2 2 291.355 -0.721 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001437725105 910737447 /nfs/dbraw/zinc/73/74/47/910737447.db2.gz ODVSGLVCLSMAFA-MNOVXSKESA-N 2 2 291.355 -0.721 20 0 CBADLP C[C@H](NC(=O)Cc1c[nH+]cn1C)C1C[NH+](CCO)C1 ZINC001506661668 921601864 /nfs/dbraw/zinc/60/18/64/921601864.db2.gz CTYLFPMHOUJTBR-JTQLQIEISA-N 2 2 266.345 -0.609 20 0 CBADLP CNC(=O)C[N@H+](CCNC(=O)Cn1c[nH+]cc1C)C1CC1 ZINC001437798466 910748218 /nfs/dbraw/zinc/74/82/18/910748218.db2.gz JWTFOVIRVCAWMU-UHFFFAOYSA-N 2 2 293.371 -0.482 20 0 CBADLP CNC(=O)C[N@@H+](CCNC(=O)Cn1c[nH+]cc1C)C1CC1 ZINC001437798466 910748230 /nfs/dbraw/zinc/74/82/30/910748230.db2.gz JWTFOVIRVCAWMU-UHFFFAOYSA-N 2 2 293.371 -0.482 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N(C)CC[NH2+][C@@H]1CCNC1=O ZINC001437850779 910772398 /nfs/dbraw/zinc/77/23/98/910772398.db2.gz FEWRLUGFTKWBKC-SNVBAGLBSA-N 2 2 279.344 -0.803 20 0 CBADLP C[C@H](NC(=O)Cn1cc[nH+]c1)C1C[NH+](CCCO)C1 ZINC001506682808 921604007 /nfs/dbraw/zinc/60/40/07/921604007.db2.gz NVDDJRZMVSFPMQ-NSHDSACASA-N 2 2 266.345 -0.298 20 0 CBADLP C[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H]1CCNC1=O ZINC001438174325 910837085 /nfs/dbraw/zinc/83/70/85/910837085.db2.gz MHXGYSBLSYHIGE-SDDRHHMPSA-N 2 2 280.372 -0.888 20 0 CBADLP C[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCNC1=O ZINC001438174325 910837095 /nfs/dbraw/zinc/83/70/95/910837095.db2.gz MHXGYSBLSYHIGE-SDDRHHMPSA-N 2 2 280.372 -0.888 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001438712861 910955724 /nfs/dbraw/zinc/95/57/24/910955724.db2.gz WHBIPNRDCUJJAU-SNVBAGLBSA-N 2 2 295.387 -0.130 20 0 CBADLP C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)CCCn1cc[nH+]c1)C(N)=O ZINC001438717121 910962285 /nfs/dbraw/zinc/96/22/85/910962285.db2.gz VJYLTSQVOYRKMV-NWDGAFQWSA-N 2 2 295.387 -0.026 20 0 CBADLP C[C@@H](O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001506820807 921621747 /nfs/dbraw/zinc/62/17/47/921621747.db2.gz PGAHJWILNBIMJR-KKOKHZNYSA-N 2 2 278.356 -0.373 20 0 CBADLP C[C@@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001506820807 921621761 /nfs/dbraw/zinc/62/17/61/921621761.db2.gz PGAHJWILNBIMJR-KKOKHZNYSA-N 2 2 278.356 -0.373 20 0 CBADLP CC(C)[C@@H](CNC(=O)CCc1c[nH+]cn1C)[NH2+]CC(N)=O ZINC001438845808 910975952 /nfs/dbraw/zinc/97/59/52/910975952.db2.gz SKODJXVPBKJOSJ-GFCCVEGCSA-N 2 2 295.387 -0.432 20 0 CBADLP CNC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001438875368 910991615 /nfs/dbraw/zinc/99/16/15/910991615.db2.gz WFGXHBGUNPNZCN-CYBMUJFWSA-N 2 2 296.415 -0.536 20 0 CBADLP CNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001438875368 910991628 /nfs/dbraw/zinc/99/16/28/910991628.db2.gz WFGXHBGUNPNZCN-CYBMUJFWSA-N 2 2 296.415 -0.536 20 0 CBADLP COC[C@H](O)C[N@H+](C)CCN(C)C(=O)Cc1c[nH+]cn1C ZINC001438931738 910999733 /nfs/dbraw/zinc/99/97/33/910999733.db2.gz JVQJVZZKSKZZPK-CYBMUJFWSA-N 2 2 298.387 -0.640 20 0 CBADLP COC[C@H](O)C[N@@H+](C)CCN(C)C(=O)Cc1c[nH+]cn1C ZINC001438931738 910999744 /nfs/dbraw/zinc/99/97/44/910999744.db2.gz JVQJVZZKSKZZPK-CYBMUJFWSA-N 2 2 298.387 -0.640 20 0 CBADLP CN(CC[N@H+](C)CC(N)=O)C(=O)CC1CC[NH+](C)CC1 ZINC001438914483 911000096 /nfs/dbraw/zinc/00/00/96/911000096.db2.gz CJFQIVBGVJAXJX-UHFFFAOYSA-N 2 2 284.404 -0.406 20 0 CBADLP CN(CC[N@@H+](C)CC(N)=O)C(=O)CC1CC[NH+](C)CC1 ZINC001438914483 911000109 /nfs/dbraw/zinc/00/01/09/911000109.db2.gz CJFQIVBGVJAXJX-UHFFFAOYSA-N 2 2 284.404 -0.406 20 0 CBADLP CCNC(=O)C[N@H+](C)CCN(C)C(=O)Cn1cc[nH+]c1C ZINC001438938723 911002604 /nfs/dbraw/zinc/00/26/04/911002604.db2.gz OWSVGZJSVSNTNI-UHFFFAOYSA-N 2 2 295.387 -0.282 20 0 CBADLP CCNC(=O)C[N@@H+](C)CCN(C)C(=O)Cn1cc[nH+]c1C ZINC001438938723 911002621 /nfs/dbraw/zinc/00/26/21/911002621.db2.gz OWSVGZJSVSNTNI-UHFFFAOYSA-N 2 2 295.387 -0.282 20 0 CBADLP CCCNC(=O)C[N@H+](C)CCN(C)C(=O)C[NH+]1CCCC1 ZINC001438938261 911002842 /nfs/dbraw/zinc/00/28/42/911002842.db2.gz NZJXFRJTOXBIEL-UHFFFAOYSA-N 2 2 298.431 -0.001 20 0 CBADLP CCCNC(=O)C[N@@H+](C)CCN(C)C(=O)C[NH+]1CCCC1 ZINC001438938261 911002859 /nfs/dbraw/zinc/00/28/59/911002859.db2.gz NZJXFRJTOXBIEL-UHFFFAOYSA-N 2 2 298.431 -0.001 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1nncs1 ZINC001438988349 911042006 /nfs/dbraw/zinc/04/20/06/911042006.db2.gz YWPXFFQMFHFFLP-UWVGGRQHSA-N 2 2 299.400 -0.801 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1nncs1 ZINC001438988349 911042027 /nfs/dbraw/zinc/04/20/27/911042027.db2.gz YWPXFFQMFHFFLP-UWVGGRQHSA-N 2 2 299.400 -0.801 20 0 CBADLP COc1cc[nH+]cc1CC(=O)NC[C@H](O)C[NH2+]C[C@H](C)O ZINC001438999639 911047800 /nfs/dbraw/zinc/04/78/00/911047800.db2.gz LEVBPDNPEANWLT-CMPLNLGQSA-N 2 2 297.355 -0.920 20 0 CBADLP CO[C@@H](C)C[NH2+]C[C@@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001439036639 911067756 /nfs/dbraw/zinc/06/77/56/911067756.db2.gz SQCQAHKEKYWBJX-VHSXEESVSA-N 2 2 270.333 -0.946 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001439160070 911119852 /nfs/dbraw/zinc/11/98/52/911119852.db2.gz NKXXBARVFMUHSA-NXEZZACHSA-N 2 2 281.360 -0.571 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001439160070 911119861 /nfs/dbraw/zinc/11/98/61/911119861.db2.gz NKXXBARVFMUHSA-NXEZZACHSA-N 2 2 281.360 -0.571 20 0 CBADLP C[C@H](C[NH2+][C@H](C)c1nncn1C)NC(=O)Cn1cc[nH+]c1 ZINC001439185761 911128496 /nfs/dbraw/zinc/12/84/96/911128496.db2.gz VJILSBRPAFUCIO-GHMZBOCLSA-N 2 2 291.359 -0.133 20 0 CBADLP C[C@H](C[NH2+][C@@H](C)c1nncn1C)NC(=O)Cn1cc[nH+]c1 ZINC001439185763 911130454 /nfs/dbraw/zinc/13/04/54/911130454.db2.gz VJILSBRPAFUCIO-MNOVXSKESA-N 2 2 291.359 -0.133 20 0 CBADLP Cc1oncc1C[NH2+]C[C@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001439201267 911139789 /nfs/dbraw/zinc/13/97/89/911139789.db2.gz STUPUWNJUZAIAS-GWCFXTLKSA-N 2 2 296.371 -0.092 20 0 CBADLP Cc1oncc1C[NH2+]C[C@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001439201267 911139800 /nfs/dbraw/zinc/13/98/00/911139800.db2.gz STUPUWNJUZAIAS-GWCFXTLKSA-N 2 2 296.371 -0.092 20 0 CBADLP CC[N@H+](C)CCC(=O)NC[C@@H]1CC[NH+]1[C@H](C)C(N)=O ZINC001439563378 911241741 /nfs/dbraw/zinc/24/17/41/911241741.db2.gz RQSPDPZBUCHDIN-MNOVXSKESA-N 2 2 270.377 -0.608 20 0 CBADLP CC[N@@H+](C)CCC(=O)NC[C@@H]1CC[NH+]1[C@H](C)C(N)=O ZINC001439563378 911241753 /nfs/dbraw/zinc/24/17/53/911241753.db2.gz RQSPDPZBUCHDIN-MNOVXSKESA-N 2 2 270.377 -0.608 20 0 CBADLP CC[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+]1[C@H](C)C(N)=O ZINC001439563378 911241766 /nfs/dbraw/zinc/24/17/66/911241766.db2.gz RQSPDPZBUCHDIN-MNOVXSKESA-N 2 2 270.377 -0.608 20 0 CBADLP CC[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+]1[C@H](C)C(N)=O ZINC001439563378 911241781 /nfs/dbraw/zinc/24/17/81/911241781.db2.gz RQSPDPZBUCHDIN-MNOVXSKESA-N 2 2 270.377 -0.608 20 0 CBADLP C[C@H](CCC[NH2+]CC(N)=O)NC(=O)Cc1c[nH]c[nH+]1 ZINC001506942468 921645402 /nfs/dbraw/zinc/64/54/02/921645402.db2.gz OHPDZGGWVIYKGO-SECBINFHSA-N 2 2 267.333 -0.688 20 0 CBADLP CC[C@H](C(=O)NCC1([NH2+]Cc2ncnn2C)CC1)[NH+](C)C ZINC001439624137 911259965 /nfs/dbraw/zinc/25/99/65/911259965.db2.gz SFZUNMWSEPKEEY-LLVKDONJSA-N 2 2 294.403 -0.106 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NCC1([NH2+]CC(=O)N2CCC2)CC1 ZINC001439653501 911270550 /nfs/dbraw/zinc/27/05/50/911270550.db2.gz BXZGTDCQBRKYSS-UHFFFAOYSA-N 2 2 291.355 -0.577 20 0 CBADLP O=C(Cn1cc[nH+]c1)NCC1([NH2+][C@@H]2CCCNC2=O)CC1 ZINC001439687524 911277127 /nfs/dbraw/zinc/27/71/27/911277127.db2.gz SBQJRKYMZYVCES-LLVKDONJSA-N 2 2 291.355 -0.600 20 0 CBADLP CC(C)[C@@H](CCNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CC(N)=O ZINC001506991332 921648802 /nfs/dbraw/zinc/64/88/02/921648802.db2.gz JFSGLFOQOKHHCX-SNVBAGLBSA-N 2 2 281.360 -0.442 20 0 CBADLP CCC[N@H+](C)CC(=O)N(C)C[C@H]1CC[NH+]1[C@@H](C)C(N)=O ZINC001440262315 911421096 /nfs/dbraw/zinc/42/10/96/911421096.db2.gz RABUUJDXEWPOAS-NWDGAFQWSA-N 2 2 284.404 -0.265 20 0 CBADLP CCC[N@@H+](C)CC(=O)N(C)C[C@H]1CC[NH+]1[C@@H](C)C(N)=O ZINC001440262315 911421102 /nfs/dbraw/zinc/42/11/02/911421102.db2.gz RABUUJDXEWPOAS-NWDGAFQWSA-N 2 2 284.404 -0.265 20 0 CBADLP CCC[NH+](C)CC(=O)N(C)C[C@H]1CC[N@@H+]1[C@@H](C)C(N)=O ZINC001440262315 911421113 /nfs/dbraw/zinc/42/11/13/911421113.db2.gz RABUUJDXEWPOAS-NWDGAFQWSA-N 2 2 284.404 -0.265 20 0 CBADLP CCC[NH+](C)CC(=O)N(C)C[C@H]1CC[N@H+]1[C@@H](C)C(N)=O ZINC001440262315 911421129 /nfs/dbraw/zinc/42/11/29/911421129.db2.gz RABUUJDXEWPOAS-NWDGAFQWSA-N 2 2 284.404 -0.265 20 0 CBADLP C[C@H](NC(=O)c1cccc2[nH+]ccn21)[C@H](C)[NH2+]CC(N)=O ZINC001440808656 911516788 /nfs/dbraw/zinc/51/67/88/911516788.db2.gz WRYVRBNTIBPMCT-UWVGGRQHSA-N 2 2 289.339 -0.084 20 0 CBADLP C[C@@H]([NH2+]CC(=O)NC1CC1)[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001440838329 911524837 /nfs/dbraw/zinc/52/48/37/911524837.db2.gz RLVKXVNVPHWHEZ-ZJUUUORDSA-N 2 2 293.371 -0.286 20 0 CBADLP C[C@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)[N@H+](C)CCO ZINC001440936126 911557492 /nfs/dbraw/zinc/55/74/92/911557492.db2.gz BCQDLXCRGGLZQV-NEPJUHHUSA-N 2 2 280.372 -0.126 20 0 CBADLP C[C@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)[N@@H+](C)CCO ZINC001440936126 911557504 /nfs/dbraw/zinc/55/75/04/911557504.db2.gz BCQDLXCRGGLZQV-NEPJUHHUSA-N 2 2 280.372 -0.126 20 0 CBADLP C[C@H]([NH2+]CC(N)=O)[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001440992934 911577609 /nfs/dbraw/zinc/57/76/09/911577609.db2.gz OJEGBTTUISMPFM-WDEREUQCSA-N 2 2 293.371 -0.203 20 0 CBADLP C[C@H](CNC(=O)CCCn1cc[nH+]c1)[N@H+](C)[C@@H](C)C(N)=O ZINC001441024832 911587620 /nfs/dbraw/zinc/58/76/20/911587620.db2.gz NEWJNQRHHFIBOQ-NEPJUHHUSA-N 2 2 295.387 -0.026 20 0 CBADLP C[C@H](CNC(=O)CCCn1cc[nH+]c1)[N@@H+](C)[C@@H](C)C(N)=O ZINC001441024832 911587626 /nfs/dbraw/zinc/58/76/26/911587626.db2.gz NEWJNQRHHFIBOQ-NEPJUHHUSA-N 2 2 295.387 -0.026 20 0 CBADLP C[C@@H](O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001441329351 911645803 /nfs/dbraw/zinc/64/58/03/911645803.db2.gz XJRFQXBCPZOOGR-LPWJVIDDSA-N 2 2 278.356 -0.442 20 0 CBADLP C[C@@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001441329351 911645808 /nfs/dbraw/zinc/64/58/08/911645808.db2.gz XJRFQXBCPZOOGR-LPWJVIDDSA-N 2 2 278.356 -0.442 20 0 CBADLP C[C@@H]([NH2+]CCO)[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001441336230 911646078 /nfs/dbraw/zinc/64/60/78/911646078.db2.gz SNNQHVLMTZNLRH-MNOVXSKESA-N 2 2 282.344 -0.850 20 0 CBADLP COC[C@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001507569922 921868463 /nfs/dbraw/zinc/86/84/63/921868463.db2.gz XZPDWJMTXPGEOI-NWDGAFQWSA-N 2 2 284.360 -0.673 20 0 CBADLP CN(C(=O)CCn1cc[nH+]c1)[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001441436353 911669540 /nfs/dbraw/zinc/66/95/40/911669540.db2.gz HMNCYCWTDRXXNW-GFCCVEGCSA-N 2 2 293.371 -0.415 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001441610248 911715350 /nfs/dbraw/zinc/71/53/50/911715350.db2.gz SAWZEQTYENCHFB-VHSXEESVSA-N 2 2 281.360 -0.477 20 0 CBADLP CC[C@@H]([NH2+][C@H](C)CN(C)C(=O)Cn1cc[nH+]c1)C(N)=O ZINC001441643600 911722166 /nfs/dbraw/zinc/72/21/66/911722166.db2.gz QXEPSSBCRGVVHL-GHMZBOCLSA-N 2 2 281.360 -0.417 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)NC[C@H](CO)[NH2+]C[C@H]1CCOC1 ZINC001441703062 911758417 /nfs/dbraw/zinc/75/84/17/911758417.db2.gz GRCZZSYGQNWGNX-DGCLKSJQSA-N 2 2 296.371 -0.555 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)NC[C@H](CO)[NH2+]C[C@H]1CCOC1 ZINC001441703062 911758421 /nfs/dbraw/zinc/75/84/21/911758421.db2.gz GRCZZSYGQNWGNX-DGCLKSJQSA-N 2 2 296.371 -0.555 20 0 CBADLP CCC[NH2+][C@H](CO)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001441720761 911766463 /nfs/dbraw/zinc/76/64/63/911766463.db2.gz NIFSLYXTYPUMOC-RYUDHWBXSA-N 2 2 280.372 -0.078 20 0 CBADLP CC[C@H]([NH2+][C@H](C)CN(C)C(=O)Cc1[nH]c[nH+]c1C)C(N)=O ZINC001507146336 921690002 /nfs/dbraw/zinc/69/00/02/921690002.db2.gz DMOIKPCVFPXIEJ-KOLCDFICSA-N 2 2 295.387 -0.039 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H](CO)[NH2+]C[C@@H]1CCOC1 ZINC001441765565 911785922 /nfs/dbraw/zinc/78/59/22/911785922.db2.gz NIYAYKBTUMFEDI-WDEREUQCSA-N 2 2 282.344 -0.945 20 0 CBADLP C[C@@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]CC(=O)NC1CC1 ZINC001441938535 911858146 /nfs/dbraw/zinc/85/81/46/911858146.db2.gz PJEKUFLLXJGZPX-NSHDSACASA-N 2 2 293.371 -0.354 20 0 CBADLP CCN(C)C(=O)C[NH2+][C@@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001441972100 911876740 /nfs/dbraw/zinc/87/67/40/911876740.db2.gz MIOSDAYUOZRZMO-JTQLQIEISA-N 2 2 281.360 -0.475 20 0 CBADLP C[C@@H]([NH2+][C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1)C(=O)NC1CC1 ZINC001441982208 911880800 /nfs/dbraw/zinc/88/08/00/911880800.db2.gz JNKRRFHUEBEQPV-VHSXEESVSA-N 2 2 293.371 -0.286 20 0 CBADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@H]1CCCNC1=O ZINC001441978988 911882273 /nfs/dbraw/zinc/88/22/73/911882273.db2.gz YJBWXADRIXRZEY-KOLCDFICSA-N 2 2 279.344 -0.675 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001442087215 911925198 /nfs/dbraw/zinc/92/51/98/911925198.db2.gz BXAJGCSKDZNFBL-LBPRGKRZSA-N 2 2 284.360 -0.719 20 0 CBADLP COCC[N@H+](C)C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001442087215 911925183 /nfs/dbraw/zinc/92/51/83/911925183.db2.gz BXAJGCSKDZNFBL-LBPRGKRZSA-N 2 2 284.360 -0.719 20 0 CBADLP CC(C)NC(=O)C[NH2+][C@H](C)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001442304676 911963073 /nfs/dbraw/zinc/96/30/73/911963073.db2.gz AYCIJZZGFYUGLX-LLVKDONJSA-N 2 2 295.387 -0.039 20 0 CBADLP C[NH+](CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12)CC(N)=O ZINC001442433228 912012625 /nfs/dbraw/zinc/01/26/25/912012625.db2.gz OWDHWTVCEQUNSZ-NWDGAFQWSA-N 2 2 282.388 -0.463 20 0 CBADLP C[N@H+](CCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)CC(N)=O ZINC001442433228 912012566 /nfs/dbraw/zinc/01/25/66/912012566.db2.gz OWDHWTVCEQUNSZ-NWDGAFQWSA-N 2 2 282.388 -0.463 20 0 CBADLP C[N@@H+](CCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)CC(N)=O ZINC001442433228 912012586 /nfs/dbraw/zinc/01/25/86/912012586.db2.gz OWDHWTVCEQUNSZ-NWDGAFQWSA-N 2 2 282.388 -0.463 20 0 CBADLP C[NH+](CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12)CC(N)=O ZINC001442433228 912012606 /nfs/dbraw/zinc/01/26/06/912012606.db2.gz OWDHWTVCEQUNSZ-NWDGAFQWSA-N 2 2 282.388 -0.463 20 0 CBADLP CC[N@H+](CCNC(=O)Cn1cc[nH+]c1)[C@@H]1CCN(C)C1=O ZINC001442767709 912098514 /nfs/dbraw/zinc/09/85/14/912098514.db2.gz LZKZHQVBDFNGCL-GFCCVEGCSA-N 2 2 293.371 -0.448 20 0 CBADLP CC[N@@H+](CCNC(=O)Cn1cc[nH+]c1)[C@@H]1CCN(C)C1=O ZINC001442767709 912098529 /nfs/dbraw/zinc/09/85/29/912098529.db2.gz LZKZHQVBDFNGCL-GFCCVEGCSA-N 2 2 293.371 -0.448 20 0 CBADLP C[C@@H](CNC(=O)CC[NH+](C)C)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001442947167 912129877 /nfs/dbraw/zinc/12/98/77/912129877.db2.gz UQJJFXFYUKDXIZ-NSHDSACASA-N 2 2 295.387 -0.133 20 0 CBADLP C[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(N)=O ZINC001443079716 912148579 /nfs/dbraw/zinc/14/85/79/912148579.db2.gz QCTBFEJTVWMNDS-OPRDCNLKSA-N 2 2 279.344 -0.565 20 0 CBADLP C[C@@H]([NH2+]CCN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1)C(N)=O ZINC001443102246 912157029 /nfs/dbraw/zinc/15/70/29/912157029.db2.gz QFUZXUCBIBLZKS-SECBINFHSA-N 2 2 281.360 -0.391 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001443263509 912174362 /nfs/dbraw/zinc/17/43/62/912174362.db2.gz FGJWYLACJXVFCK-NWDGAFQWSA-N 2 2 293.371 -0.415 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CC[C@@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001443263509 912174375 /nfs/dbraw/zinc/17/43/75/912174375.db2.gz FGJWYLACJXVFCK-NWDGAFQWSA-N 2 2 293.371 -0.415 20 0 CBADLP CCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001507205163 921740256 /nfs/dbraw/zinc/74/02/56/921740256.db2.gz TUVINQAMXUKMCE-GMTAPVOTSA-N 2 2 266.345 -0.010 20 0 CBADLP CCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001507205163 921740268 /nfs/dbraw/zinc/74/02/68/921740268.db2.gz TUVINQAMXUKMCE-GMTAPVOTSA-N 2 2 266.345 -0.010 20 0 CBADLP CC[N@@H+]1CC[C@@H]1C(=O)N1CC[NH+](C(C)(C)CO)CC1 ZINC001466539946 915127222 /nfs/dbraw/zinc/12/72/22/915127222.db2.gz AZXRPLFXERKHQO-GFCCVEGCSA-N 2 2 269.389 -0.004 20 0 CBADLP CC[N@H+]1CC[C@@H]1C(=O)N1CC[NH+](C(C)(C)CO)CC1 ZINC001466539946 915127232 /nfs/dbraw/zinc/12/72/32/915127232.db2.gz AZXRPLFXERKHQO-GFCCVEGCSA-N 2 2 269.389 -0.004 20 0 CBADLP CC[N@@H+]1CC[C@@H]1C(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C ZINC001469344699 915401301 /nfs/dbraw/zinc/40/13/01/915401301.db2.gz YRCBTTROKQHPEQ-NWDGAFQWSA-N 2 2 282.388 -0.341 20 0 CBADLP CC[N@H+]1CC[C@@H]1C(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C ZINC001469344699 915401309 /nfs/dbraw/zinc/40/13/09/915401309.db2.gz YRCBTTROKQHPEQ-NWDGAFQWSA-N 2 2 282.388 -0.341 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCc1nc(N)n[nH]1 ZINC001471102746 915554081 /nfs/dbraw/zinc/55/40/81/915554081.db2.gz KSIFWOYIXCJXFD-UHFFFAOYSA-N 2 2 298.395 -0.930 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCc1nc(N)n[nH]1 ZINC001471102746 915554101 /nfs/dbraw/zinc/55/41/01/915554101.db2.gz KSIFWOYIXCJXFD-UHFFFAOYSA-N 2 2 298.395 -0.930 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC[C@H](CO)[NH2+]CC1CC1 ZINC001507251403 921782682 /nfs/dbraw/zinc/78/26/82/921782682.db2.gz DHBWYQAMCNQJSR-LLVKDONJSA-N 2 2 266.345 -0.561 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NC[C@H](CO)[NH2+]Cc1nccn1C ZINC001507265957 921795536 /nfs/dbraw/zinc/79/55/36/921795536.db2.gz WESFSJSXFAKCEB-GFCCVEGCSA-N 2 2 297.403 -0.673 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NC[C@H](CO)[NH2+]Cc1nccn1C ZINC001507265957 921795545 /nfs/dbraw/zinc/79/55/45/921795545.db2.gz WESFSJSXFAKCEB-GFCCVEGCSA-N 2 2 297.403 -0.673 20 0 CBADLP CC[C@H](C)C[NH2+][C@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001507267377 921795802 /nfs/dbraw/zinc/79/58/02/921795802.db2.gz NVRLWNLMOCQGOV-RYUDHWBXSA-N 2 2 268.361 -0.004 20 0 CBADLP Cn1c[nH+]cc1CC[N@H+]1C[C@H](CCO)[C@H](CO)C1 ZINC001473892453 915878192 /nfs/dbraw/zinc/87/81/92/915878192.db2.gz KANPDRIEPARQIK-RYUDHWBXSA-N 2 2 253.346 -0.115 20 0 CBADLP Cn1c[nH+]cc1CC[N@@H+]1C[C@H](CCO)[C@H](CO)C1 ZINC001473892453 915878200 /nfs/dbraw/zinc/87/82/00/915878200.db2.gz KANPDRIEPARQIK-RYUDHWBXSA-N 2 2 253.346 -0.115 20 0 CBADLP Cn1c[nH+]cc1CC[N@@H+]1C[C@@H](CO)[C@H](CCO)C1 ZINC001473892451 915881794 /nfs/dbraw/zinc/88/17/94/915881794.db2.gz KANPDRIEPARQIK-NEPJUHHUSA-N 2 2 253.346 -0.115 20 0 CBADLP Cn1c[nH+]cc1CC[N@H+]1C[C@@H](CO)[C@H](CCO)C1 ZINC001473892451 915881813 /nfs/dbraw/zinc/88/18/13/915881813.db2.gz KANPDRIEPARQIK-NEPJUHHUSA-N 2 2 253.346 -0.115 20 0 CBADLP C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1)C(N)=O ZINC001479321608 916117194 /nfs/dbraw/zinc/11/71/94/916117194.db2.gz KEGNTXUOFQRJQC-LPEHRKFASA-N 2 2 279.344 -0.690 20 0 CBADLP C[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1)C(N)=O ZINC001479321607 916117839 /nfs/dbraw/zinc/11/78/39/916117839.db2.gz KEGNTXUOFQRJQC-BBBLOLIVSA-N 2 2 279.344 -0.690 20 0 CBADLP CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)Cc2[nH]cc[nH+]2)n1 ZINC001479608632 916141696 /nfs/dbraw/zinc/14/16/96/916141696.db2.gz MHBVULNWRYEYON-UHFFFAOYSA-N 2 2 290.327 -0.126 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]([NH2+]CCCO)C1 ZINC001480120908 916293926 /nfs/dbraw/zinc/29/39/26/916293926.db2.gz VKJFJTWEMVZJLS-NSHDSACASA-N 2 2 266.345 -0.465 20 0 CBADLP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)C1)C(N)=O ZINC001480151075 916310071 /nfs/dbraw/zinc/31/00/71/916310071.db2.gz QGVMXTFBXHOEQC-GMTAPVOTSA-N 2 2 279.344 -0.616 20 0 CBADLP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1)C(=O)N(C)C ZINC001480228956 916336663 /nfs/dbraw/zinc/33/66/63/916336663.db2.gz OCQSGWWVONVCJD-GARJFASQSA-N 2 2 293.371 -0.334 20 0 CBADLP C[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1)C(N)=O ZINC001480307561 916352247 /nfs/dbraw/zinc/35/22/47/916352247.db2.gz UXTKEOPUPJKTRM-NEPJUHHUSA-N 2 2 293.371 -0.415 20 0 CBADLP C[C@H]([NH2+]C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1)C(N)=O ZINC001480307563 916353724 /nfs/dbraw/zinc/35/37/24/916353724.db2.gz UXTKEOPUPJKTRM-NWDGAFQWSA-N 2 2 293.371 -0.415 20 0 CBADLP C[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+][C@H]1CCNC1=O ZINC001480475528 916430608 /nfs/dbraw/zinc/43/06/08/916430608.db2.gz RHHDYTATBKNPCW-ONGXEEELSA-N 2 2 279.344 -0.675 20 0 CBADLP C[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH2+][C@H]1CCNC1=O ZINC001480475528 916430615 /nfs/dbraw/zinc/43/06/15/916430615.db2.gz RHHDYTATBKNPCW-ONGXEEELSA-N 2 2 279.344 -0.675 20 0 CBADLP C[C@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+][C@H]1CCNC1=O ZINC001480475525 916432351 /nfs/dbraw/zinc/43/23/51/916432351.db2.gz RHHDYTATBKNPCW-KOLCDFICSA-N 2 2 279.344 -0.675 20 0 CBADLP C[C@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH2+][C@H]1CCNC1=O ZINC001480475525 916432361 /nfs/dbraw/zinc/43/23/61/916432361.db2.gz RHHDYTATBKNPCW-KOLCDFICSA-N 2 2 279.344 -0.675 20 0 CBADLP C[C@@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]CCCO ZINC001480512383 916446488 /nfs/dbraw/zinc/44/64/88/916446488.db2.gz QQCFPBAUGUJKQD-NSHDSACASA-N 2 2 254.334 -0.250 20 0 CBADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CCn1cccn1 ZINC001480542396 916463567 /nfs/dbraw/zinc/46/35/67/916463567.db2.gz LYKTUYSLEBCWFZ-LLVKDONJSA-N 2 2 276.344 -0.057 20 0 CBADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CC(=O)N(C)C1CC1 ZINC001480542474 916465346 /nfs/dbraw/zinc/46/53/46/916465346.db2.gz MEWQSHCLMOEIIC-JTQLQIEISA-N 2 2 293.371 -0.333 20 0 CBADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CC(=O)NC1CC1 ZINC001480560329 916474129 /nfs/dbraw/zinc/47/41/29/916474129.db2.gz CVRJCFDEBJYCCB-VIFPVBQESA-N 2 2 279.344 -0.675 20 0 CBADLP CC(C)CNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001480849236 916568343 /nfs/dbraw/zinc/56/83/43/916568343.db2.gz RRNGAOXQDOOMJN-ZDUSSCGKSA-N 2 2 298.431 -0.099 20 0 CBADLP CC(C)CNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001480849236 916568359 /nfs/dbraw/zinc/56/83/59/916568359.db2.gz RRNGAOXQDOOMJN-ZDUSSCGKSA-N 2 2 298.431 -0.099 20 0 CBADLP CC(C)CNC(=O)C[NH+](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001480849236 916568382 /nfs/dbraw/zinc/56/83/82/916568382.db2.gz RRNGAOXQDOOMJN-ZDUSSCGKSA-N 2 2 298.431 -0.099 20 0 CBADLP CC(C)CNC(=O)C[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001480849236 916568394 /nfs/dbraw/zinc/56/83/94/916568394.db2.gz RRNGAOXQDOOMJN-ZDUSSCGKSA-N 2 2 298.431 -0.099 20 0 CBADLP C[N@H+](CCNC(=O)C[NH+]1CCCC1)CC(=O)N1CCCC1 ZINC001480947350 916648260 /nfs/dbraw/zinc/64/82/60/916648260.db2.gz QTRKIZHJMFRQNH-UHFFFAOYSA-N 2 2 296.415 -0.247 20 0 CBADLP C[N@@H+](CCNC(=O)C[NH+]1CCCC1)CC(=O)N1CCCC1 ZINC001480947350 916648273 /nfs/dbraw/zinc/64/82/73/916648273.db2.gz QTRKIZHJMFRQNH-UHFFFAOYSA-N 2 2 296.415 -0.247 20 0 CBADLP CC[N@H+](CCNC(=O)Cn1c[nH+]cc1C)CC(=O)N(C)C ZINC001480989886 916675297 /nfs/dbraw/zinc/67/52/97/916675297.db2.gz VQICKFJPONZBKV-UHFFFAOYSA-N 2 2 295.387 -0.282 20 0 CBADLP CC[N@@H+](CCNC(=O)Cn1c[nH+]cc1C)CC(=O)N(C)C ZINC001480989886 916675300 /nfs/dbraw/zinc/67/53/00/916675300.db2.gz VQICKFJPONZBKV-UHFFFAOYSA-N 2 2 295.387 -0.282 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001481125161 916720610 /nfs/dbraw/zinc/72/06/10/916720610.db2.gz ATZYYAVPUDCDHB-NEPJUHHUSA-N 2 2 291.355 -0.790 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001481125161 916720618 /nfs/dbraw/zinc/72/06/18/916720618.db2.gz ATZYYAVPUDCDHB-NEPJUHHUSA-N 2 2 291.355 -0.790 20 0 CBADLP CN(CC[NH2+]CC(=O)N1CCC1)C(=O)CCn1cc[nH+]c1 ZINC001481263721 916793672 /nfs/dbraw/zinc/79/36/72/916793672.db2.gz WEAFEMNLKDXPCK-UHFFFAOYSA-N 2 2 293.371 -0.447 20 0 CBADLP Cc1nnc(C[NH2+]CCN(C)C(=O)CC[NH+](C)C)o1 ZINC001481277396 916805737 /nfs/dbraw/zinc/80/57/37/916805737.db2.gz OBNNHJVQSOVNOL-UHFFFAOYSA-N 2 2 269.349 -0.122 20 0 CBADLP CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1)[NH+](C)C ZINC001481692825 916950687 /nfs/dbraw/zinc/95/06/87/916950687.db2.gz WIMNQMHEOBYIFD-SDDRHHMPSA-N 2 2 284.404 -0.363 20 0 CBADLP CC(C)[C@H](C(=O)N[C@H]1CC[N@H+]([C@@H](C)C(N)=O)C1)[NH+](C)C ZINC001481692825 916950696 /nfs/dbraw/zinc/95/06/96/916950696.db2.gz WIMNQMHEOBYIFD-SDDRHHMPSA-N 2 2 284.404 -0.363 20 0 CBADLP CC[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CC(=O)NC ZINC001481885658 917017152 /nfs/dbraw/zinc/01/71/52/917017152.db2.gz UPBNTXFUCGDUQZ-SNVBAGLBSA-N 2 2 267.333 -0.887 20 0 CBADLP CC(C)NC(=O)C[NH2+]C[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001482154231 917067553 /nfs/dbraw/zinc/06/75/53/917067553.db2.gz KKTYJTYEUGAXHR-NSHDSACASA-N 2 2 295.387 -0.181 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)C[NH2+][C@H]1CCNC1=O ZINC001482163703 917070911 /nfs/dbraw/zinc/07/09/11/917070911.db2.gz OCAFSGHUKVSVML-ONGXEEELSA-N 2 2 293.371 -0.509 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001482194701 917087918 /nfs/dbraw/zinc/08/79/18/917087918.db2.gz LBQAIRIKGKMZGB-LBPRGKRZSA-N 2 2 282.344 -0.999 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001482194701 917087932 /nfs/dbraw/zinc/08/79/32/917087932.db2.gz LBQAIRIKGKMZGB-LBPRGKRZSA-N 2 2 282.344 -0.999 20 0 CBADLP C[C@H](C[NH2+]CC(=O)N(C)C)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001482335838 917129620 /nfs/dbraw/zinc/12/96/20/917129620.db2.gz PEVXVXWRDWATEA-SNVBAGLBSA-N 2 2 281.360 -0.523 20 0 CBADLP CC(C)C[C@@H](C[NH2+][C@@H](C)C(N)=O)NC(=O)Cc1c[nH]c[nH+]1 ZINC001482392842 917143882 /nfs/dbraw/zinc/14/38/82/917143882.db2.gz JMUPJKDNORPABY-JQWIXIFHSA-N 2 2 295.387 -0.054 20 0 CBADLP CN(CC[N@H+](C)CC(N)=O)C(=O)C1([NH+](C)C)CCC1 ZINC001482603097 917178429 /nfs/dbraw/zinc/17/84/29/917178429.db2.gz SSYRNELQAPJROI-UHFFFAOYSA-N 2 2 270.377 -0.654 20 0 CBADLP CN(CC[N@@H+](C)CC(N)=O)C(=O)C1([NH+](C)C)CCC1 ZINC001482603097 917178437 /nfs/dbraw/zinc/17/84/37/917178437.db2.gz SSYRNELQAPJROI-UHFFFAOYSA-N 2 2 270.377 -0.654 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@H](O)C[NH2+]Cc1ccccn1 ZINC001482773573 917271778 /nfs/dbraw/zinc/27/17/78/917271778.db2.gz RVCJOZHUGJRZNL-ZDUSSCGKSA-N 2 2 289.339 -0.386 20 0 CBADLP CC[NH2+]C[C@@H](O)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001482776651 917272254 /nfs/dbraw/zinc/27/22/54/917272254.db2.gz GGROTWPFZICZGM-GXSJLCMTSA-N 2 2 254.334 -0.325 20 0 CBADLP CC[NH2+]C[C@@H](O)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001482776651 917272267 /nfs/dbraw/zinc/27/22/67/917272267.db2.gz GGROTWPFZICZGM-GXSJLCMTSA-N 2 2 254.334 -0.325 20 0 CBADLP C[C@@H](CC[NH2+][C@@H]1CCN(C)C1=O)NC(=O)Cc1[nH]cc[nH+]1 ZINC001482883345 917322304 /nfs/dbraw/zinc/32/23/04/917322304.db2.gz BYLVLKBLESMNPS-WDEREUQCSA-N 2 2 293.371 -0.333 20 0 CBADLP C[C@@H]([NH2+]C/C=C\CNC(=O)CC[NH+](C)C)c1nnnn1C ZINC001483054241 917392140 /nfs/dbraw/zinc/39/21/40/917392140.db2.gz LRDQEFQOBQGCLX-ISALQUGTSA-N 2 2 295.391 -0.515 20 0 CBADLP C[C@H](C[NH2+]CCO)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001483145355 917435190 /nfs/dbraw/zinc/43/51/90/917435190.db2.gz XFICHYYDTHCHDX-MNOVXSKESA-N 2 2 266.345 -0.468 20 0 CBADLP C[C@@H](C[NH2+][C@@H]1CCCNC1=O)NC(=O)CCc1c[nH]c[nH+]1 ZINC001483234083 917487960 /nfs/dbraw/zinc/48/79/60/917487960.db2.gz DQSNPBFHGMLOAP-CMPLNLGQSA-N 2 2 293.371 -0.285 20 0 CBADLP C[C@@H](C[NH2+][C@@H]1CCCNC1=O)NC(=O)CCc1c[nH+]c[nH]1 ZINC001483234083 917487966 /nfs/dbraw/zinc/48/79/66/917487966.db2.gz DQSNPBFHGMLOAP-CMPLNLGQSA-N 2 2 293.371 -0.285 20 0 CBADLP C[C@@H](C[NH2+]Cc1nccn1C)NC(=O)Cc1c[nH+]cn1C ZINC001483282899 917504510 /nfs/dbraw/zinc/50/45/10/917504510.db2.gz DBDUFUVGFYMSBV-NSHDSACASA-N 2 2 290.371 -0.009 20 0 CBADLP NC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001483748511 917667267 /nfs/dbraw/zinc/66/72/67/917667267.db2.gz TYNQAXGGGJSKOJ-SNVBAGLBSA-N 2 2 291.355 -0.831 20 0 CBADLP CC[C@H](C(=O)N(C)C1C[NH+](CCOCCO)C1)[NH+](C)C ZINC001483887983 917699868 /nfs/dbraw/zinc/69/98/68/917699868.db2.gz ZKFSKAYJFOJFQB-CYBMUJFWSA-N 2 2 287.404 -0.522 20 0 CBADLP C[C@@H](O)C[NH2+]C[C@@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001483947269 917711547 /nfs/dbraw/zinc/71/15/47/917711547.db2.gz XGCHQRGEQNRWMR-PWSUYJOCSA-N 2 2 266.345 -0.086 20 0 CBADLP CC(C)[N@@H+]1CC[C@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001484255052 917795351 /nfs/dbraw/zinc/79/53/51/917795351.db2.gz VDPLTBLSJJKPOF-ZDUSSCGKSA-N 2 2 266.345 -0.156 20 0 CBADLP CC(C)[N@H+]1CC[C@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001484255052 917795360 /nfs/dbraw/zinc/79/53/60/917795360.db2.gz VDPLTBLSJJKPOF-ZDUSSCGKSA-N 2 2 266.345 -0.156 20 0 CBADLP CO[C@@H](C)C[N@@H+]1CC[C@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001484255044 917796199 /nfs/dbraw/zinc/79/61/99/917796199.db2.gz VCMJWIDHCOGNQS-JSGCOSHPSA-N 2 2 296.371 -0.529 20 0 CBADLP CO[C@@H](C)C[N@H+]1CC[C@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001484255044 917796213 /nfs/dbraw/zinc/79/62/13/917796213.db2.gz VCMJWIDHCOGNQS-JSGCOSHPSA-N 2 2 296.371 -0.529 20 0 CBADLP COCCC[NH+]1CC(O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001484265232 917807749 /nfs/dbraw/zinc/80/77/49/917807749.db2.gz WWRAISPLRDRPLN-GFCCVEGCSA-N 2 2 285.388 -0.720 20 0 CBADLP COCCC[NH+]1CC(O)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001484265232 917807758 /nfs/dbraw/zinc/80/77/58/917807758.db2.gz WWRAISPLRDRPLN-GFCCVEGCSA-N 2 2 285.388 -0.720 20 0 CBADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCO[C@H](C[NH2+]CCO)C1 ZINC001484680148 917922113 /nfs/dbraw/zinc/92/21/13/917922113.db2.gz KMMGWUBPOFUXCI-IJLUTSLNSA-N 2 2 294.355 -0.678 20 0 CBADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCO[C@H](C[NH2+]CCO)C1 ZINC001484680148 917922119 /nfs/dbraw/zinc/92/21/19/917922119.db2.gz KMMGWUBPOFUXCI-IJLUTSLNSA-N 2 2 294.355 -0.678 20 0 CBADLP C[C@@H](O)C[NH2+][C@@]1(CO)CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001484854367 917952244 /nfs/dbraw/zinc/95/22/44/917952244.db2.gz DEOAFZWDHJOBGL-OCCSQVGLSA-N 2 2 296.371 -0.793 20 0 CBADLP C[C@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@@H]1[NH2+]CC(N)=O ZINC001484910887 917963992 /nfs/dbraw/zinc/96/39/92/917963992.db2.gz YIQIPVPGJPWWIK-RYUDHWBXSA-N 2 2 293.371 -0.415 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)NC1CC(C[NH2+]CCO)C1 ZINC001485096876 917994879 /nfs/dbraw/zinc/99/48/79/917994879.db2.gz BHDNOZDFGSCAAW-UHFFFAOYSA-N 2 2 280.372 -0.171 20 0 CBADLP CC(C)NC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001485234885 918037249 /nfs/dbraw/zinc/03/72/49/918037249.db2.gz OYEIHYNNECPFFM-NEPJUHHUSA-N 2 2 295.387 -0.110 20 0 CBADLP CC[NH+]1CC(CCO)(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001485415311 918116800 /nfs/dbraw/zinc/11/68/00/918116800.db2.gz OCBGCYMSRYPWSS-UHFFFAOYSA-N 2 2 269.389 -0.099 20 0 CBADLP C[N@@H+]1CC[C@@H](C(=O)NC2(CCO)C[NH+](CCCF)C2)C1 ZINC001485424818 918122111 /nfs/dbraw/zinc/12/21/11/918122111.db2.gz VGZLBUMEYRLTJM-GFCCVEGCSA-N 2 2 287.379 -0.149 20 0 CBADLP C[N@H+]1CC[C@@H](C(=O)NC2(CCO)C[NH+](CCCF)C2)C1 ZINC001485424818 918122116 /nfs/dbraw/zinc/12/21/16/918122116.db2.gz VGZLBUMEYRLTJM-GFCCVEGCSA-N 2 2 287.379 -0.149 20 0 CBADLP CC[N@H+](C)CCC(=O)N[C@@H](C)C1C[NH+](CC(N)=O)C1 ZINC001485529818 918141162 /nfs/dbraw/zinc/14/11/62/918141162.db2.gz VNAFAZVXVJOBLS-JTQLQIEISA-N 2 2 270.377 -0.750 20 0 CBADLP CC[N@@H+](C)CCC(=O)N[C@@H](C)C1C[NH+](CC(N)=O)C1 ZINC001485529818 918141172 /nfs/dbraw/zinc/14/11/72/918141172.db2.gz VNAFAZVXVJOBLS-JTQLQIEISA-N 2 2 270.377 -0.750 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H](C[NH2+]CCO)C1 ZINC001485702508 918171817 /nfs/dbraw/zinc/17/18/17/918171817.db2.gz VADSNCGSROWJKD-XYPYZODXSA-N 2 2 266.345 -0.561 20 0 CBADLP CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001485700136 918172278 /nfs/dbraw/zinc/17/22/78/918172278.db2.gz HTQTYDOEIJIYST-XYPYZODXSA-N 2 2 293.371 -0.427 20 0 CBADLP C[C@@H](CCC[NH2+]CCO)NC(=O)Cc1[nH]cc[nH+]1 ZINC001485743190 918181751 /nfs/dbraw/zinc/18/17/51/918181751.db2.gz FYWSIATZSKZYTQ-JTQLQIEISA-N 2 2 254.334 -0.181 20 0 CBADLP C[NH+]1CCC(C(=O)NC[C@H](CO)[NH2+]Cc2ccon2)CC1 ZINC001486030080 918323450 /nfs/dbraw/zinc/32/34/50/918323450.db2.gz GOIMULQCQGZGFR-CYBMUJFWSA-N 2 2 296.371 -0.417 20 0 CBADLP CC(C)[NH2+][C@@H](CO)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001486038445 918331912 /nfs/dbraw/zinc/33/19/12/918331912.db2.gz YMEVZPZLNMUZPC-IJLUTSLNSA-N 2 2 280.372 -0.001 20 0 CBADLP C[C@@H]1[C@@H]([NH2+]CCCO)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001486089961 918363057 /nfs/dbraw/zinc/36/30/57/918363057.db2.gz DHCDFFZICMAEJZ-MNOVXSKESA-N 2 2 266.345 -0.086 20 0 CBADLP CN(C[C@@H](O)C[NH2+]CC1CC1)C(=O)Cc1[nH]cc[nH+]1 ZINC001486307931 918420416 /nfs/dbraw/zinc/42/04/16/918420416.db2.gz VRCDYRNQMVQPHO-NSHDSACASA-N 2 2 266.345 -0.229 20 0 CBADLP CC(C)(C)[C@@H](C[NH2+]CC(N)=O)NC(=O)CCc1c[nH]c[nH+]1 ZINC001486398299 918453805 /nfs/dbraw/zinc/45/38/05/918453805.db2.gz GYRDJGJCVJBOBJ-LLVKDONJSA-N 2 2 295.387 -0.052 20 0 CBADLP CC(C)(C)[C@@H](C[NH2+]CC(N)=O)NC(=O)CCc1c[nH+]c[nH]1 ZINC001486398299 918453811 /nfs/dbraw/zinc/45/38/11/918453811.db2.gz GYRDJGJCVJBOBJ-LLVKDONJSA-N 2 2 295.387 -0.052 20 0 CBADLP CCC[N@H+](C)CC(=O)N(C)C[C@H]1CC[NH+]1CC(=O)NCC ZINC001488684647 918755315 /nfs/dbraw/zinc/75/53/15/918755315.db2.gz CMQHBCOHHKWFMS-CYBMUJFWSA-N 2 2 298.431 -0.003 20 0 CBADLP CCC[N@@H+](C)CC(=O)N(C)C[C@H]1CC[NH+]1CC(=O)NCC ZINC001488684647 918755323 /nfs/dbraw/zinc/75/53/23/918755323.db2.gz CMQHBCOHHKWFMS-CYBMUJFWSA-N 2 2 298.431 -0.003 20 0 CBADLP CCC[NH+](C)CC(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)NCC ZINC001488684647 918755330 /nfs/dbraw/zinc/75/53/30/918755330.db2.gz CMQHBCOHHKWFMS-CYBMUJFWSA-N 2 2 298.431 -0.003 20 0 CBADLP CCC[NH+](C)CC(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)NCC ZINC001488684647 918755343 /nfs/dbraw/zinc/75/53/43/918755343.db2.gz CMQHBCOHHKWFMS-CYBMUJFWSA-N 2 2 298.431 -0.003 20 0 CBADLP O=C(CCn1cc[nH+]c1)N[C@H]1C[C@@H]([NH2+]CCO)C1 ZINC001491040003 919010607 /nfs/dbraw/zinc/01/06/07/919010607.db2.gz SDRXUOGZAYZISH-PHIMTYICSA-N 2 2 252.318 -0.498 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)N[C@H]1C[C@@H]([NH2+]CCO)C1 ZINC001491040604 919010663 /nfs/dbraw/zinc/01/06/63/919010663.db2.gz QHJNQCCHHCMYQH-PHIMTYICSA-N 2 2 266.345 -0.418 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CCS(C)(=O)=O ZINC001491413627 919144218 /nfs/dbraw/zinc/14/42/18/919144218.db2.gz FWPLGOWNLUMCBK-QWRGUYRKSA-N 2 2 291.417 -0.781 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]CCS(C)(=O)=O ZINC001491413627 919144226 /nfs/dbraw/zinc/14/42/26/919144226.db2.gz FWPLGOWNLUMCBK-QWRGUYRKSA-N 2 2 291.417 -0.781 20 0 CBADLP CC[C@H](C(=O)NCCNC(=O)Cc1[nH]c[nH+]c1C)[NH+](C)C ZINC001491416440 919150358 /nfs/dbraw/zinc/15/03/58/919150358.db2.gz BERVNTSKCFQSOP-GFCCVEGCSA-N 2 2 295.387 -0.167 20 0 CBADLP C[C@@H](CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[NH2+]CC(=O)N(C)C ZINC001491605527 919225014 /nfs/dbraw/zinc/22/50/14/919225014.db2.gz MTRFNSHKRWZQJR-QWRGUYRKSA-N 2 2 295.387 -0.229 20 0 CBADLP C[C@@H](CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[NH2+]CC(=O)N(C)C ZINC001491605527 919225024 /nfs/dbraw/zinc/22/50/24/919225024.db2.gz MTRFNSHKRWZQJR-QWRGUYRKSA-N 2 2 295.387 -0.229 20 0 CBADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@H](C)C(=O)N(C)C ZINC001491622738 919234163 /nfs/dbraw/zinc/23/41/63/919234163.db2.gz CLIDVTPLQIJBSM-NXEZZACHSA-N 2 2 281.360 -0.477 20 0 CBADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@@H](C)C(=O)N(C)C ZINC001491622739 919237233 /nfs/dbraw/zinc/23/72/33/919237233.db2.gz CLIDVTPLQIJBSM-UWVGGRQHSA-N 2 2 281.360 -0.477 20 0 CBADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+][C@@H](C)C(=O)N(C)C ZINC001491695137 919254616 /nfs/dbraw/zinc/25/46/16/919254616.db2.gz ZHGCWHPWHHETBU-QWRGUYRKSA-N 2 2 281.360 -0.546 20 0 CBADLP C[C@H]([NH2+]C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1)C(N)=O ZINC001491844897 919287407 /nfs/dbraw/zinc/28/74/07/919287407.db2.gz XQHMWDHYPTVKQM-UWVGGRQHSA-N 2 2 279.344 -0.736 20 0 CBADLP CN(C)C(=O)C[NH2+]C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001491842669 919288561 /nfs/dbraw/zinc/28/85/61/919288561.db2.gz GHOIFHUMUYYMOP-LLVKDONJSA-N 2 2 293.371 -0.522 20 0 CBADLP C[C@H](CCNC(=O)[C@H]1CCn2c[nH+]cc2C1)[NH2+]CCO ZINC001492047393 919317030 /nfs/dbraw/zinc/31/70/30/919317030.db2.gz PIDKOZCSUMMOJM-NEPJUHHUSA-N 2 2 280.372 -0.078 20 0 CBADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)[C@@H](C)C(N)=O ZINC001492251384 919376425 /nfs/dbraw/zinc/37/64/25/919376425.db2.gz KGRYEIHGVYFAQI-RYUDHWBXSA-N 2 2 284.404 -0.219 20 0 CBADLP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)[C@@H](C)C(N)=O ZINC001492251384 919376442 /nfs/dbraw/zinc/37/64/42/919376442.db2.gz KGRYEIHGVYFAQI-RYUDHWBXSA-N 2 2 284.404 -0.219 20 0 CBADLP CC(C)[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)[C@@H](C)C(N)=O ZINC001492251384 919376457 /nfs/dbraw/zinc/37/64/57/919376457.db2.gz KGRYEIHGVYFAQI-RYUDHWBXSA-N 2 2 284.404 -0.219 20 0 CBADLP CC(C)[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)[C@@H](C)C(N)=O ZINC001492251384 919376471 /nfs/dbraw/zinc/37/64/71/919376471.db2.gz KGRYEIHGVYFAQI-RYUDHWBXSA-N 2 2 284.404 -0.219 20 0 CBADLP C[N@H+](CCO)CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001492312310 919393716 /nfs/dbraw/zinc/39/37/16/919393716.db2.gz PXJZPYRRDALHMB-LLVKDONJSA-N 2 2 266.345 -0.514 20 0 CBADLP C[N@@H+](CCO)CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001492312310 919393734 /nfs/dbraw/zinc/39/37/34/919393734.db2.gz PXJZPYRRDALHMB-LLVKDONJSA-N 2 2 266.345 -0.514 20 0 CBADLP C[C@@H](O)C[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001492419592 919415454 /nfs/dbraw/zinc/41/54/54/919415454.db2.gz GWIOKJANDDGVBX-IJLUTSLNSA-N 2 2 280.372 -0.048 20 0 CBADLP C[C@@H](O)C[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001492419592 919415462 /nfs/dbraw/zinc/41/54/62/919415462.db2.gz GWIOKJANDDGVBX-IJLUTSLNSA-N 2 2 280.372 -0.048 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NCC[N@H+](C)[C@H]1CCCNC1=O ZINC001492818146 919429300 /nfs/dbraw/zinc/42/93/00/919429300.db2.gz ZNWRCWDPJRHKIB-LBPRGKRZSA-N 2 2 293.371 -0.711 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NCC[N@@H+](C)[C@H]1CCCNC1=O ZINC001492818146 919429311 /nfs/dbraw/zinc/42/93/11/919429311.db2.gz ZNWRCWDPJRHKIB-LBPRGKRZSA-N 2 2 293.371 -0.711 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NCC[N@H+](C)[C@@H]1CCCNC1=O ZINC001492818142 919430890 /nfs/dbraw/zinc/43/08/90/919430890.db2.gz ZNWRCWDPJRHKIB-GFCCVEGCSA-N 2 2 293.371 -0.711 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NCC[N@@H+](C)[C@@H]1CCCNC1=O ZINC001492818142 919430895 /nfs/dbraw/zinc/43/08/95/919430895.db2.gz ZNWRCWDPJRHKIB-GFCCVEGCSA-N 2 2 293.371 -0.711 20 0 CBADLP C[N@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)CC(=O)NC1CC1 ZINC001492817606 919431565 /nfs/dbraw/zinc/43/15/65/919431565.db2.gz UOSRWDJKHHVIOD-GFCCVEGCSA-N 2 2 296.415 -0.345 20 0 CBADLP C[N@@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)CC(=O)NC1CC1 ZINC001492817606 919431572 /nfs/dbraw/zinc/43/15/72/919431572.db2.gz UOSRWDJKHHVIOD-GFCCVEGCSA-N 2 2 296.415 -0.345 20 0 CBADLP C[NH+](CCNC(=O)C[C@H]1CC[N@H+](C)C1)CC(=O)NC1CC1 ZINC001492817606 919431586 /nfs/dbraw/zinc/43/15/86/919431586.db2.gz UOSRWDJKHHVIOD-GFCCVEGCSA-N 2 2 296.415 -0.345 20 0 CBADLP C[NH+](CCNC(=O)C[C@H]1CC[N@@H+](C)C1)CC(=O)NC1CC1 ZINC001492817606 919431597 /nfs/dbraw/zinc/43/15/97/919431597.db2.gz UOSRWDJKHHVIOD-GFCCVEGCSA-N 2 2 296.415 -0.345 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1CC[N@@H+](CCO)C1 ZINC001493250134 919510488 /nfs/dbraw/zinc/51/04/88/919510488.db2.gz MZKUUZUZGUTGGS-JTQLQIEISA-N 2 2 252.318 -0.617 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1CC[N@H+](CCO)C1 ZINC001493250134 919510497 /nfs/dbraw/zinc/51/04/97/919510497.db2.gz MZKUUZUZGUTGGS-JTQLQIEISA-N 2 2 252.318 -0.617 20 0 CBADLP CN(CC[NH2+][C@H]1CCCNC1=O)C(=O)CCn1cc[nH+]c1 ZINC001493643900 919592074 /nfs/dbraw/zinc/59/20/74/919592074.db2.gz KLPNTAKOPFNCNU-LBPRGKRZSA-N 2 2 293.371 -0.400 20 0 CBADLP CN(CC[NH2+]CC(=O)N1CCCC1)C(=O)Cc1[nH]cc[nH+]1 ZINC001493742317 919612803 /nfs/dbraw/zinc/61/28/03/919612803.db2.gz OLLJCSMZXQKCAJ-UHFFFAOYSA-N 2 2 293.371 -0.377 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CC[NH2+][C@@H]1CCNC1=O ZINC001493727419 919613360 /nfs/dbraw/zinc/61/33/60/919613360.db2.gz XVCFUEVMHSGVOI-ZYHUDNBSSA-N 2 2 293.371 -0.475 20 0 CBADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CC[NH2+][C@@H]1CCNC1=O ZINC001493727419 919613370 /nfs/dbraw/zinc/61/33/70/919613370.db2.gz XVCFUEVMHSGVOI-ZYHUDNBSSA-N 2 2 293.371 -0.475 20 0 CBADLP CN(C)C(=O)C[NH2+]CCN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001493764893 919620444 /nfs/dbraw/zinc/62/04/44/919620444.db2.gz ZSWPBIZNUWOVPT-UHFFFAOYSA-N 2 2 295.387 -0.177 20 0 CBADLP Cc1nnc(C[NH2+]CCN(C)C(=O)Cn2cc[nH+]c2C)[nH]1 ZINC001493793942 919621017 /nfs/dbraw/zinc/62/10/17/919621017.db2.gz PJVQRESKVUEHDI-UHFFFAOYSA-N 2 2 291.359 -0.134 20 0 CBADLP O=C(NC1C[NH+](CCOCCO)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001494387590 919693817 /nfs/dbraw/zinc/69/38/17/919693817.db2.gz OZAMWCAIMYIOTP-AWEZNQCLSA-N 2 2 297.399 -0.863 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)C ZINC001494667886 919770023 /nfs/dbraw/zinc/77/00/23/919770023.db2.gz JFUQHGQWAQEZSQ-SRVKXCTJSA-N 2 2 282.388 -0.642 20 0 CBADLP CNC(=O)[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)C ZINC001494667886 919770036 /nfs/dbraw/zinc/77/00/36/919770036.db2.gz JFUQHGQWAQEZSQ-SRVKXCTJSA-N 2 2 282.388 -0.642 20 0 CBADLP NC(=O)C[NH2+]CC1(NC(=O)Cc2[nH]cc[nH+]2)CCCC1 ZINC001495194442 919877185 /nfs/dbraw/zinc/87/71/85/919877185.db2.gz GIIMVMFONZGRSZ-UHFFFAOYSA-N 2 2 279.344 -0.544 20 0 CBADLP CCN(C)C(=O)C[NH2+]C[C@@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001495747351 919939243 /nfs/dbraw/zinc/93/92/43/919939243.db2.gz KEXANOKCPARTNP-LLVKDONJSA-N 2 2 295.387 -0.228 20 0 CBADLP CN(CCNC(=O)C[NH+]1CCCC1)C(=O)Cn1cc[nH+]c1 ZINC001496060174 920018824 /nfs/dbraw/zinc/01/88/24/920018824.db2.gz VSIPDSKFEHHLRF-UHFFFAOYSA-N 2 2 293.371 -0.447 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001496084872 920024523 /nfs/dbraw/zinc/02/45/23/920024523.db2.gz YOFCFCIXACAYTD-GHMZBOCLSA-N 2 2 295.387 -0.087 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001496084872 920024541 /nfs/dbraw/zinc/02/45/41/920024541.db2.gz YOFCFCIXACAYTD-GHMZBOCLSA-N 2 2 295.387 -0.087 20 0 CBADLP C[C@H](C[NH2+]CCO)N(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001496091458 920027618 /nfs/dbraw/zinc/02/76/18/920027618.db2.gz CCDKKHJGZMCSBT-NEPJUHHUSA-N 2 2 280.372 -0.126 20 0 CBADLP C[C@@H](O)C[NH2+]C[C@@H](C)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001496191908 920040212 /nfs/dbraw/zinc/04/02/12/920040212.db2.gz LTDUCMVMQMBZJI-NXEZZACHSA-N 2 2 254.334 -0.231 20 0 CBADLP C[C@@H](O)C[NH2+]C[C@H](C)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001496191910 920040543 /nfs/dbraw/zinc/04/05/43/920040543.db2.gz LTDUCMVMQMBZJI-VHSXEESVSA-N 2 2 254.334 -0.231 20 0 CBADLP CN(CCNC(=O)Cn1cc[nH+]c1)C(=O)C[NH+]1CCCC1 ZINC001496216770 920044407 /nfs/dbraw/zinc/04/44/07/920044407.db2.gz HTFKPHLCUQUPLL-UHFFFAOYSA-N 2 2 293.371 -0.447 20 0 CBADLP C[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)[C@H]1C[NH2+]CC(N)=O ZINC001496489084 920077097 /nfs/dbraw/zinc/07/70/97/920077097.db2.gz RIVXSRYKSCNZNU-MNOVXSKESA-N 2 2 293.371 -0.346 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@H](CNC(=O)Cc1c[nH]c[nH+]1)C(C)C ZINC001496607903 920096210 /nfs/dbraw/zinc/09/62/10/920096210.db2.gz ODPQNTCJXLKETE-CMPLNLGQSA-N 2 2 295.387 -0.183 20 0 CBADLP C[C@H](C(N)=O)[N@H+](C)CCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001496808066 920133282 /nfs/dbraw/zinc/13/32/82/920133282.db2.gz PGTDOTTUCMIFSP-CYBMUJFWSA-N 2 2 298.431 -0.018 20 0 CBADLP C[C@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001496808066 920133288 /nfs/dbraw/zinc/13/32/88/920133288.db2.gz PGTDOTTUCMIFSP-CYBMUJFWSA-N 2 2 298.431 -0.018 20 0 CBADLP CCCNC(=O)C[N@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001496835501 920137153 /nfs/dbraw/zinc/13/71/53/920137153.db2.gz KQLOHGGEOWQVPG-ZDUSSCGKSA-N 2 2 298.431 -0.146 20 0 CBADLP CCCNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001496835501 920137159 /nfs/dbraw/zinc/13/71/59/920137159.db2.gz KQLOHGGEOWQVPG-ZDUSSCGKSA-N 2 2 298.431 -0.146 20 0 CBADLP CCCNC(=O)C[NH+](C)CCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001496835501 920137167 /nfs/dbraw/zinc/13/71/67/920137167.db2.gz KQLOHGGEOWQVPG-ZDUSSCGKSA-N 2 2 298.431 -0.146 20 0 CBADLP CCCNC(=O)C[NH+](C)CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001496835501 920137175 /nfs/dbraw/zinc/13/71/75/920137175.db2.gz KQLOHGGEOWQVPG-ZDUSSCGKSA-N 2 2 298.431 -0.146 20 0 CBADLP CC(C)[NH2+]C[C@@H](O)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001496993265 920196641 /nfs/dbraw/zinc/19/66/41/920196641.db2.gz XCSOWANLJCGXNK-LLVKDONJSA-N 2 2 254.334 -0.183 20 0 CBADLP CC(C)[NH2+]C[C@@H](O)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001496993265 920196651 /nfs/dbraw/zinc/19/66/51/920196651.db2.gz XCSOWANLJCGXNK-LLVKDONJSA-N 2 2 254.334 -0.183 20 0 CBADLP CC(C)[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001497012639 920209534 /nfs/dbraw/zinc/20/95/34/920209534.db2.gz SKOZFRUFMGKZGR-NEPJUHHUSA-N 2 2 280.372 -0.079 20 0 CBADLP C[C@@H](CC[NH2+]CC(N)=O)NC(=O)CCc1c[nH]c[nH+]1 ZINC001497203306 920271435 /nfs/dbraw/zinc/27/14/35/920271435.db2.gz ZMBSZDBRMIJZFD-VIFPVBQESA-N 2 2 267.333 -0.688 20 0 CBADLP C[C@@H](CC[NH2+]CC(N)=O)NC(=O)CCc1c[nH+]c[nH]1 ZINC001497203306 920271451 /nfs/dbraw/zinc/27/14/51/920271451.db2.gz ZMBSZDBRMIJZFD-VIFPVBQESA-N 2 2 267.333 -0.688 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]C/C=C\CNC(=O)CCc1c[nH]c[nH+]1 ZINC001497594708 920347846 /nfs/dbraw/zinc/34/78/46/920347846.db2.gz DGKYGLGFWGAGNH-DLRQAJBASA-N 2 2 293.371 -0.261 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]C/C=C/CNC(=O)CCn1cc[nH+]c1 ZINC001497644584 920358158 /nfs/dbraw/zinc/35/81/58/920358158.db2.gz NHCGXPURQPGXFZ-PCAWENJQSA-N 2 2 293.371 -0.330 20 0 CBADLP Cn1cnnc1C[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001497649709 920359350 /nfs/dbraw/zinc/35/93/50/920359350.db2.gz LGXNIKCAIWQPLM-VSQXVHSFSA-N 2 2 292.387 -0.329 20 0 CBADLP Cn1cnnc1C[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@H+]1C ZINC001497649709 920359367 /nfs/dbraw/zinc/35/93/67/920359367.db2.gz LGXNIKCAIWQPLM-VSQXVHSFSA-N 2 2 292.387 -0.329 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC/C=C\C[NH2+]CCCO ZINC001497734583 920375469 /nfs/dbraw/zinc/37/54/69/920375469.db2.gz OKQSIPBCFXCPDW-IHWYPQMZSA-N 2 2 266.345 -0.095 20 0 CBADLP C[C@H](C[NH2+][C@@H](C)C(N)=O)NC(=O)c1cccc2[nH+]ccn21 ZINC001497854249 920410403 /nfs/dbraw/zinc/41/04/03/920410403.db2.gz ZUKYZVDTIKLLNE-ZJUUUORDSA-N 2 2 289.339 -0.084 20 0 CBADLP C[C@H](C[NH2+]CC(=O)N(C)C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001497946983 920425635 /nfs/dbraw/zinc/42/56/35/920425635.db2.gz CQGSDMPJIJUCJU-SECBINFHSA-N 2 2 267.333 -0.865 20 0 CBADLP CC[C@H]([NH2+]C[C@H](C)NC(=O)CCc1[nH+]ccn1C)C(N)=O ZINC001498076534 920471562 /nfs/dbraw/zinc/47/15/62/920471562.db2.gz NONSKMOFBLYZHF-QWRGUYRKSA-N 2 2 295.387 -0.289 20 0 CBADLP C[C@@H]([NH2+]C[C@H](C)NC(=O)Cn1cc[nH+]c1)C(=O)NC1CC1 ZINC001498208332 920520865 /nfs/dbraw/zinc/52/08/65/920520865.db2.gz WNBCQOIUZJEBJW-WDEREUQCSA-N 2 2 293.371 -0.356 20 0 CBADLP CNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001498416324 920577819 /nfs/dbraw/zinc/57/78/19/920577819.db2.gz SGVRLHIYVQSGRC-CYBMUJFWSA-N 2 2 298.431 -0.099 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]CCCN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001498558163 920610669 /nfs/dbraw/zinc/61/06/69/920610669.db2.gz CPBMTZVYIYTCJI-LLVKDONJSA-N 2 2 295.387 -0.085 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]CCCN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001498558163 920610679 /nfs/dbraw/zinc/61/06/79/920610679.db2.gz CPBMTZVYIYTCJI-LLVKDONJSA-N 2 2 295.387 -0.085 20 0 CBADLP C[NH+](C)CCCC(=O)NC[C@@H]1CC[N@@H+]1[C@H]1CCNC1=O ZINC001499047332 920689433 /nfs/dbraw/zinc/68/94/33/920689433.db2.gz FWHKSCYKUMIWMM-RYUDHWBXSA-N 2 2 282.388 -0.593 20 0 CBADLP C[NH+](C)CCCC(=O)NC[C@@H]1CC[N@H+]1[C@H]1CCNC1=O ZINC001499047332 920689442 /nfs/dbraw/zinc/68/94/42/920689442.db2.gz FWHKSCYKUMIWMM-RYUDHWBXSA-N 2 2 282.388 -0.593 20 0 CBADLP CCC[N@H+](C)CC(=O)NC[C@@H]1CC[NH+]1[C@@H](C)C(=O)N(C)C ZINC001499107040 920702371 /nfs/dbraw/zinc/70/23/71/920702371.db2.gz OOEZQIRUYZQEMH-STQMWFEESA-N 2 2 298.431 -0.005 20 0 CBADLP CCC[N@@H+](C)CC(=O)NC[C@@H]1CC[NH+]1[C@@H](C)C(=O)N(C)C ZINC001499107040 920702382 /nfs/dbraw/zinc/70/23/82/920702382.db2.gz OOEZQIRUYZQEMH-STQMWFEESA-N 2 2 298.431 -0.005 20 0 CBADLP CCC[NH+](C)CC(=O)NC[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)N(C)C ZINC001499107040 920702400 /nfs/dbraw/zinc/70/24/00/920702400.db2.gz OOEZQIRUYZQEMH-STQMWFEESA-N 2 2 298.431 -0.005 20 0 CBADLP CCC[NH+](C)CC(=O)NC[C@@H]1CC[N@H+]1[C@@H](C)C(=O)N(C)C ZINC001499107040 920702415 /nfs/dbraw/zinc/70/24/15/920702415.db2.gz OOEZQIRUYZQEMH-STQMWFEESA-N 2 2 298.431 -0.005 20 0 CBADLP CC[C@@H](CNC(=O)CC[NH+](C)C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001499333059 920739694 /nfs/dbraw/zinc/73/96/94/920739694.db2.gz PPTKVBUALKLZMM-NSHDSACASA-N 2 2 295.387 -0.085 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NCC1([NH2+][C@H]2CCNC2=O)CC1 ZINC001499420433 920748619 /nfs/dbraw/zinc/74/86/19/920748619.db2.gz DWMATSHYMZZLGU-NSHDSACASA-N 2 2 291.355 -0.911 20 0 CBADLP CN(C(=O)C1([NH+](C)C)CCC1)C1C[NH+](CCOCCO)C1 ZINC001499686914 920762250 /nfs/dbraw/zinc/76/22/50/920762250.db2.gz RCYVFGKPPWIUJW-UHFFFAOYSA-N 2 2 299.415 -0.378 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)NC[C@]1(O)CC[N@@H+](CCCO)C1 ZINC001500684057 920858232 /nfs/dbraw/zinc/85/82/32/920858232.db2.gz RAJJFVBBLIBMRJ-CQSZACIVSA-N 2 2 296.371 -0.722 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)NC[C@]1(O)CC[N@H+](CCCO)C1 ZINC001500684057 920858242 /nfs/dbraw/zinc/85/82/42/920858242.db2.gz RAJJFVBBLIBMRJ-CQSZACIVSA-N 2 2 296.371 -0.722 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)NC[C@]1(O)CC[N@@H+](CCCO)C1 ZINC001500684057 920858250 /nfs/dbraw/zinc/85/82/50/920858250.db2.gz RAJJFVBBLIBMRJ-CQSZACIVSA-N 2 2 296.371 -0.722 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)NC[C@]1(O)CC[N@H+](CCCO)C1 ZINC001500684057 920858265 /nfs/dbraw/zinc/85/82/65/920858265.db2.gz RAJJFVBBLIBMRJ-CQSZACIVSA-N 2 2 296.371 -0.722 20 0 CBADLP COC[C@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001500743288 920871422 /nfs/dbraw/zinc/87/14/22/920871422.db2.gz KNDVTKNUJMSFLN-SMDDNHRTSA-N 2 2 296.371 -0.460 20 0 CBADLP COC[C@H](C)[N@H+]1CC[C@@](O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001500743288 920871440 /nfs/dbraw/zinc/87/14/40/920871440.db2.gz KNDVTKNUJMSFLN-SMDDNHRTSA-N 2 2 296.371 -0.460 20 0 CBADLP COC[C@@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001500743285 920873889 /nfs/dbraw/zinc/87/38/89/920873889.db2.gz KNDVTKNUJMSFLN-BXUZGUMPSA-N 2 2 296.371 -0.460 20 0 CBADLP COC[C@@H](C)[N@H+]1CC[C@@](O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001500743285 920873902 /nfs/dbraw/zinc/87/39/02/920873902.db2.gz KNDVTKNUJMSFLN-BXUZGUMPSA-N 2 2 296.371 -0.460 20 0 CBADLP C[C@H](CC(=O)NC[C@]1(O)CC[N@H+](CCO)C1)n1cc[nH+]c1 ZINC001500733581 920873944 /nfs/dbraw/zinc/87/39/44/920873944.db2.gz XWPDTADVMFOIEA-TZMCWYRMSA-N 2 2 296.371 -0.621 20 0 CBADLP C[C@H](CC(=O)NC[C@]1(O)CC[N@@H+](CCO)C1)n1cc[nH+]c1 ZINC001500733581 920873953 /nfs/dbraw/zinc/87/39/53/920873953.db2.gz XWPDTADVMFOIEA-TZMCWYRMSA-N 2 2 296.371 -0.621 20 0 CBADLP CO[C@@H](C)C[NH+]1CC(O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001500977955 920934529 /nfs/dbraw/zinc/93/45/29/920934529.db2.gz AVPXAKAXZDOGNA-LBPRGKRZSA-N 2 2 285.388 -0.720 20 0 CBADLP CCC[N@H+](C)CC(=O)N[C@H]1CCC[NH+](CC(N)=O)[C@@H]1C ZINC001507383300 921818269 /nfs/dbraw/zinc/81/82/69/921818269.db2.gz IYIBEDSLJPVEBJ-NEPJUHHUSA-N 2 2 284.404 -0.217 20 0 CBADLP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[NH+](CC(N)=O)[C@@H]1C ZINC001507383300 921818274 /nfs/dbraw/zinc/81/82/74/921818274.db2.gz IYIBEDSLJPVEBJ-NEPJUHHUSA-N 2 2 284.404 -0.217 20 0 CBADLP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@H+](CC(N)=O)[C@@H]1C ZINC001507383300 921818281 /nfs/dbraw/zinc/81/82/81/921818281.db2.gz IYIBEDSLJPVEBJ-NEPJUHHUSA-N 2 2 284.404 -0.217 20 0 CBADLP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@@H+](CC(N)=O)[C@@H]1C ZINC001507383300 921818289 /nfs/dbraw/zinc/81/82/89/921818289.db2.gz IYIBEDSLJPVEBJ-NEPJUHHUSA-N 2 2 284.404 -0.217 20 0 CBADLP CN(C[C@@H](O)C[NH2+]CCCF)C(=O)Cc1[nH]cc[nH+]1 ZINC001507518178 921863044 /nfs/dbraw/zinc/86/30/44/921863044.db2.gz XWEKDOFZYALBQZ-JTQLQIEISA-N 2 2 272.324 -0.279 20 0 CBADLP COC[C@H](C)[NH2+]C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001507570085 921868778 /nfs/dbraw/zinc/86/87/78/921868778.db2.gz XZPDWJMTXPGEOI-RYUDHWBXSA-N 2 2 284.360 -0.673 20 0 CBADLP CN(C(=O)CCc1c[nH]c[nH+]1)C1CC([NH2+]CCO)C1 ZINC001508113577 921912811 /nfs/dbraw/zinc/91/28/11/921912811.db2.gz QJOGPXMEXQLAJI-UHFFFAOYSA-N 2 2 266.345 -0.086 20 0 CBADLP CN(C(=O)CCc1c[nH+]c[nH]1)C1CC([NH2+]CCO)C1 ZINC001508113577 921912826 /nfs/dbraw/zinc/91/28/26/921912826.db2.gz QJOGPXMEXQLAJI-UHFFFAOYSA-N 2 2 266.345 -0.086 20 0 CBADLP C[N@H+]1CC[C@@H]1CNC(=O)C[NH+]1CCC(CO)CC1 ZINC001514603920 922209203 /nfs/dbraw/zinc/20/92/03/922209203.db2.gz JUYOJNJTNQVMJQ-GFCCVEGCSA-N 2 2 255.362 -0.489 20 0 CBADLP O=C(NCCn1cc[nH+]c1)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001521413704 922353177 /nfs/dbraw/zinc/35/31/77/922353177.db2.gz ATYXZALAQZVRCB-YPMHNXCESA-N 2 2 264.329 -0.375 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@]1(C)C[C@H](O)C[NH2+]1 ZINC001521444960 922357679 /nfs/dbraw/zinc/35/76/79/922357679.db2.gz AXLHAVAODIWTOY-JFGNBEQYSA-N 2 2 252.318 -0.499 20 0 CBADLP C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001522262791 922404789 /nfs/dbraw/zinc/40/47/89/922404789.db2.gz BNDVHRLKRMDJGL-ONGXEEELSA-N 2 2 254.334 -0.373 20 0 CBADLP C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001522262791 922404795 /nfs/dbraw/zinc/40/47/95/922404795.db2.gz BNDVHRLKRMDJGL-ONGXEEELSA-N 2 2 254.334 -0.373 20 0 CBADLP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)CNCC[NH3+] ZINC001522344373 922408233 /nfs/dbraw/zinc/40/82/33/922408233.db2.gz VPHZHCGKKVPVOL-CYBMUJFWSA-N 2 2 262.357 -0.162 20 0 CBADLP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)CNCC[NH3+] ZINC001522344373 922408239 /nfs/dbraw/zinc/40/82/39/922408239.db2.gz VPHZHCGKKVPVOL-CYBMUJFWSA-N 2 2 262.357 -0.162 20 0 CBADLP C[C@@H](CC(=O)N1CC[NH2+]C[C@H]1CO)n1cc[nH+]c1 ZINC001522419107 922413599 /nfs/dbraw/zinc/41/35/99/922413599.db2.gz VTMQEDKYMOPPDM-QWRGUYRKSA-N 2 2 252.318 -0.373 20 0 CBADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1C[C@@H]1C[NH3+] ZINC001522771028 922516610 /nfs/dbraw/zinc/51/66/10/922516610.db2.gz BBDMXCYVYDQCOR-IJLUTSLNSA-N 2 2 255.362 -0.192 20 0 CBADLP C[NH2+]C[C@H](C)C(=O)N[C@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC001524028538 922614212 /nfs/dbraw/zinc/61/42/12/922614212.db2.gz CFKFMTFTWWYTQB-QJPTWQEYSA-N 2 2 256.394 -0.408 20 0 CBADLP C[NH2+]C[C@H](C)C(=O)N[C@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC001524028538 922614220 /nfs/dbraw/zinc/61/42/20/922614220.db2.gz CFKFMTFTWWYTQB-QJPTWQEYSA-N 2 2 256.394 -0.408 20 0 CBADLP CN(CCNC(=O)Cc1[nH]cc[nH+]1)C(=O)C[NH+]1CCCC1 ZINC001528566263 922835297 /nfs/dbraw/zinc/83/52/97/922835297.db2.gz FHZNZMDXIOQZAV-UHFFFAOYSA-N 2 2 293.371 -0.377 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)C[C@]1(O)CCC[NH2+]C1 ZINC001548558307 923381756 /nfs/dbraw/zinc/38/17/56/923381756.db2.gz WWYMANCHUBDWME-CQSZACIVSA-N 2 2 285.388 -0.718 20 0 CBADLP O=C(C1=NOC2(C1)CC[NH2+]CC2)N1CC[NH+](CCO)CC1 ZINC001548559438 923383348 /nfs/dbraw/zinc/38/33/48/923383348.db2.gz XVAWUIGOFALHPZ-UHFFFAOYSA-N 2 2 296.371 -0.979 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]2C[NH2+]CCN2C)[C@H](C)CO1 ZINC001548567789 923390149 /nfs/dbraw/zinc/39/01/49/923390149.db2.gz ARGDVETZTNNGOT-JHJVBQTASA-N 2 2 284.404 -0.885 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2C[NH2+]CCN2C)[C@H](C)CO1 ZINC001548567789 923390160 /nfs/dbraw/zinc/39/01/60/923390160.db2.gz ARGDVETZTNNGOT-JHJVBQTASA-N 2 2 284.404 -0.885 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2C[NH2+]CCN2C)[C@@H](C)CO1 ZINC001548567801 923390444 /nfs/dbraw/zinc/39/04/44/923390444.db2.gz ARGDVETZTNNGOT-XQQFMLRXSA-N 2 2 284.404 -0.885 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2C[NH2+]CCN2C)[C@@H](C)CO1 ZINC001548567801 923390458 /nfs/dbraw/zinc/39/04/58/923390458.db2.gz ARGDVETZTNNGOT-XQQFMLRXSA-N 2 2 284.404 -0.885 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@]23C[NH2+]C[C@H]2CCO3)[C@@H](C)CO1 ZINC001548569006 923391553 /nfs/dbraw/zinc/39/15/53/923391553.db2.gz KWAOLODJDXXMOJ-JLNYLFASSA-N 2 2 297.399 -0.410 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@]23C[NH2+]C[C@H]2CCO3)[C@@H](C)CO1 ZINC001548569006 923391567 /nfs/dbraw/zinc/39/15/67/923391567.db2.gz KWAOLODJDXXMOJ-JLNYLFASSA-N 2 2 297.399 -0.410 20 0 CBADLP CC[N@@H+]1CCN(C(=O)[C@@H]2C[NH+]3CCN2C[C@H]3C)[C@@H](C)C1 ZINC001548703596 923462391 /nfs/dbraw/zinc/46/23/91/923462391.db2.gz GAGZYRKEFUKYEG-RDBSUJKOSA-N 2 2 280.416 -0.073 20 0 CBADLP CC[N@H+]1CCN(C(=O)[C@@H]2C[NH+]3CCN2C[C@H]3C)[C@@H](C)C1 ZINC001548703596 923462402 /nfs/dbraw/zinc/46/24/02/923462402.db2.gz GAGZYRKEFUKYEG-RDBSUJKOSA-N 2 2 280.416 -0.073 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H]2C[N@@H+]3CCN2C[C@H]3C)[C@@H](C)C1 ZINC001548703596 923462413 /nfs/dbraw/zinc/46/24/13/923462413.db2.gz GAGZYRKEFUKYEG-RDBSUJKOSA-N 2 2 280.416 -0.073 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H]2C[N@H+]3CCN2C[C@H]3C)[C@@H](C)C1 ZINC001548703596 923462419 /nfs/dbraw/zinc/46/24/19/923462419.db2.gz GAGZYRKEFUKYEG-RDBSUJKOSA-N 2 2 280.416 -0.073 20 0 CBADLP CC[N@@H+]1CCN(C(=O)[C@@H]2C[NH+]3CCN2C[C@@H]3C)[C@@H](C)C1 ZINC001548703589 923466547 /nfs/dbraw/zinc/46/65/47/923466547.db2.gz GAGZYRKEFUKYEG-IHRRRGAJSA-N 2 2 280.416 -0.073 20 0 CBADLP CC[N@H+]1CCN(C(=O)[C@@H]2C[NH+]3CCN2C[C@@H]3C)[C@@H](C)C1 ZINC001548703589 923466559 /nfs/dbraw/zinc/46/65/59/923466559.db2.gz GAGZYRKEFUKYEG-IHRRRGAJSA-N 2 2 280.416 -0.073 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H]2C[N@@H+]3CCN2C[C@@H]3C)[C@@H](C)C1 ZINC001548703589 923466574 /nfs/dbraw/zinc/46/65/74/923466574.db2.gz GAGZYRKEFUKYEG-IHRRRGAJSA-N 2 2 280.416 -0.073 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H]2C[N@H+]3CCN2C[C@@H]3C)[C@@H](C)C1 ZINC001548703589 923466585 /nfs/dbraw/zinc/46/65/85/923466585.db2.gz GAGZYRKEFUKYEG-IHRRRGAJSA-N 2 2 280.416 -0.073 20 0 CBADLP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001548715093 923470886 /nfs/dbraw/zinc/47/08/86/923470886.db2.gz JPVIIYOERUYCCM-FMCLSXCISA-N 2 2 289.383 -0.220 20 0 CBADLP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001548715093 923470893 /nfs/dbraw/zinc/47/08/93/923470893.db2.gz JPVIIYOERUYCCM-FMCLSXCISA-N 2 2 289.383 -0.220 20 0 CBADLP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CC[NH+](CCCF)CC1 ZINC001548723914 923477283 /nfs/dbraw/zinc/47/72/83/923477283.db2.gz BHGFTLWDDNTWQS-UONOGXRCSA-N 2 2 298.406 -0.122 20 0 CBADLP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CC[NH+](CCCF)CC1 ZINC001548723914 923477289 /nfs/dbraw/zinc/47/72/89/923477289.db2.gz BHGFTLWDDNTWQS-UONOGXRCSA-N 2 2 298.406 -0.122 20 0 CBADLP O=C(NC[C@@H]1C[NH2+]CCCO1)[C@H]1CCn2cc[nH+]c2C1 ZINC001549539458 923601867 /nfs/dbraw/zinc/60/18/67/923601867.db2.gz CKKANOMRWLPHHD-RYUDHWBXSA-N 2 2 278.356 -0.060 20 0 CBADLP C[NH+](C)[C@H]1CN(CC[NH+]2CCOCC2)C[C@H]1n1ccnn1 ZINC001549604621 923614930 /nfs/dbraw/zinc/61/49/30/923614930.db2.gz CSQBEUNXKJMTAS-UONOGXRCSA-N 2 2 294.403 -0.603 20 0 CBADLP CO[C@@H]1C[C@H](C(=O)NC2CC([NH+]3CCOCC3)C2)[N@H+](C)C1 ZINC001549624176 923618217 /nfs/dbraw/zinc/61/82/17/923618217.db2.gz PDPDXQXCCHXDID-NWINJMCUSA-N 2 2 297.399 -0.315 20 0 CBADLP CO[C@@H]1C[C@H](C(=O)NC2CC([NH+]3CCOCC3)C2)[N@@H+](C)C1 ZINC001549624176 923618223 /nfs/dbraw/zinc/61/82/23/923618223.db2.gz PDPDXQXCCHXDID-NWINJMCUSA-N 2 2 297.399 -0.315 20 0 CBADLP [NH3+][C@@H]1C[C@@H]1C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC001550100964 923682000 /nfs/dbraw/zinc/68/20/00/923682000.db2.gz ZLZXUUYTZNEJGK-QWHCGFSZSA-N 2 2 275.356 -0.490 20 0 CBADLP Cn1c[nH+]cc1[C@H]1CCCCN1C(=O)CNC(=O)C[NH3+] ZINC001550235781 923712894 /nfs/dbraw/zinc/71/28/94/923712894.db2.gz HBIDWLBZYIZUQJ-SNVBAGLBSA-N 2 2 279.344 -0.451 20 0 CBADLP O=C(C[N@@H+]1CCOC[C@H]1C[C@@H]1CCCO1)N1CC[NH2+]CC1 ZINC001551395108 923772739 /nfs/dbraw/zinc/77/27/39/923772739.db2.gz KRDYHPFLSRQHNJ-KGLIPLIRSA-N 2 2 297.399 -0.312 20 0 CBADLP O=C(C[N@H+]1CCOC[C@H]1C[C@@H]1CCCO1)N1CC[NH2+]CC1 ZINC001551395108 923772756 /nfs/dbraw/zinc/77/27/56/923772756.db2.gz KRDYHPFLSRQHNJ-KGLIPLIRSA-N 2 2 297.399 -0.312 20 0 CBADLP C[C@@H](CNC(=O)NC1CC2(C[C@H]2[NH3+])C1)[NH+]1CCOCC1 ZINC001551579499 923805093 /nfs/dbraw/zinc/80/50/93/923805093.db2.gz CADMOXLWDBUMGE-WDBLDGLGSA-N 2 2 282.388 -0.114 20 0 CBADLP C[N@@H+]1CCO[C@H](CNC(=O)NC2CC3(C[C@H]3[NH3+])C2)C1 ZINC001551590474 923809243 /nfs/dbraw/zinc/80/92/43/923809243.db2.gz OQEKRAKICQWWLO-QRVCZOOMSA-N 2 2 268.361 -0.504 20 0 CBADLP C[N@H+]1CCO[C@H](CNC(=O)NC2CC3(C[C@H]3[NH3+])C2)C1 ZINC001551590474 923809255 /nfs/dbraw/zinc/80/92/55/923809255.db2.gz OQEKRAKICQWWLO-QRVCZOOMSA-N 2 2 268.361 -0.504 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001552167847 923844357 /nfs/dbraw/zinc/84/43/57/923844357.db2.gz TVOXXFHWSQONPI-QWRGUYRKSA-N 2 2 289.343 -0.173 20 0 CBADLP O=C(N[C@@H]1C[NH2+]CC(F)(F)C1)[C@H]1C[NH2+]CCOC1 ZINC001552164276 923845921 /nfs/dbraw/zinc/84/59/21/923845921.db2.gz RDYZOSLZNHBYAI-IUCAKERBSA-N 2 2 263.288 -0.664 20 0 CBADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552204559 923865319 /nfs/dbraw/zinc/86/53/19/923865319.db2.gz RZPCSZAZGJMBSY-JBLDHEPKSA-N 2 2 289.326 -0.417 20 0 CBADLP C[C@H]1C[NH2+]C[C@@H]1NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC001552337422 923884715 /nfs/dbraw/zinc/88/47/15/923884715.db2.gz GJDGATQKCPPNBU-RVMXOQNASA-N 2 2 282.388 -0.243 20 0 CBADLP C[C@H]1C[NH2+]C[C@@H]1NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC001552337422 923884722 /nfs/dbraw/zinc/88/47/22/923884722.db2.gz GJDGATQKCPPNBU-RVMXOQNASA-N 2 2 282.388 -0.243 20 0 CBADLP [NH3+]CC1(CNC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001552340639 923887683 /nfs/dbraw/zinc/88/76/83/923887683.db2.gz QCSVCYHJKYZLGT-TXEJJXNPSA-N 2 2 282.388 -0.112 20 0 CBADLP [NH3+]CC1(CNC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001552340639 923887687 /nfs/dbraw/zinc/88/76/87/923887687.db2.gz QCSVCYHJKYZLGT-TXEJJXNPSA-N 2 2 282.388 -0.112 20 0 CBADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCC1([NH3+])CC1 ZINC001552353704 923890313 /nfs/dbraw/zinc/89/03/13/923890313.db2.gz POKWUXFJUDGOFI-RYUDHWBXSA-N 2 2 282.388 -0.018 20 0 CBADLP C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC[NH2+]C2)C1 ZINC001552420206 923897340 /nfs/dbraw/zinc/89/73/40/923897340.db2.gz DZODHCPJILQRGX-NEPJUHHUSA-N 2 2 255.362 -0.177 20 0 CBADLP C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC[NH2+]C2)C1 ZINC001552420206 923897346 /nfs/dbraw/zinc/89/73/46/923897346.db2.gz DZODHCPJILQRGX-NEPJUHHUSA-N 2 2 255.362 -0.177 20 0 CBADLP Cc1c(C(=O)NCCn2cc[nH+]c2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552432947 923903621 /nfs/dbraw/zinc/90/36/21/923903621.db2.gz GFXVJEIDJPZLSC-LLVKDONJSA-N 2 2 289.343 -0.253 20 0 CBADLP Cc1c(C(=O)NCCn2cc[nH+]c2)nnn1[C@H]1CC[NH2+]C1 ZINC001552432948 923905103 /nfs/dbraw/zinc/90/51/03/923905103.db2.gz GFXVJEIDJPZLSC-NSHDSACASA-N 2 2 289.343 -0.253 20 0 CBADLP C[C@H](CNC(=O)[C@H]1CC[C@H](C[NH+]2CCOCC2)O1)[NH+](C)C ZINC001553084209 923941921 /nfs/dbraw/zinc/94/19/21/923941921.db2.gz XPPNZVAVBQQPEN-MGPQQGTHSA-N 2 2 299.415 -0.068 20 0 CBADLP C[C@H](C[NH+](C)C)NC(=O)[C@H]1CC[C@@H](C[NH+]2CCOCC2)O1 ZINC001553144665 923944879 /nfs/dbraw/zinc/94/48/79/923944879.db2.gz HUAOUIVAIWDRBP-HZSPNIEDSA-N 2 2 299.415 -0.068 20 0 CBADLP C[C@H](C[NH+](C)C)NC(=O)[C@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001553144670 923945089 /nfs/dbraw/zinc/94/50/89/923945089.db2.gz HUAOUIVAIWDRBP-MGPQQGTHSA-N 2 2 299.415 -0.068 20 0 CBADLP O=C([C@H]1CC[C@@H](C[NH+]2CCOCC2)O1)N1CC[NH2+]CC1 ZINC001553347449 923953480 /nfs/dbraw/zinc/95/34/80/923953480.db2.gz FSPNLOCMGIFOSR-QWHCGFSZSA-N 2 2 283.372 -0.702 20 0 CBADLP C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[C@@H](C[NH+]3CCOCC3)O2)C1 ZINC001553351568 923953960 /nfs/dbraw/zinc/95/39/60/923953960.db2.gz ZDEDVEUKDSAIPH-RDBSUJKOSA-N 2 2 297.399 -0.314 20 0 CBADLP O=C([C@@H]1CC[C@@H](C[NH+]2CCOCC2)O1)N1CC[NH2+]CC1 ZINC001553347452 923953990 /nfs/dbraw/zinc/95/39/90/923953990.db2.gz FSPNLOCMGIFOSR-STQMWFEESA-N 2 2 283.372 -0.702 20 0 CBADLP C[C@H](C[NH3+])N(C)C(=O)[C@H]1CC[C@@H](C[NH+]2CCOCC2)O1 ZINC001553355272 923957906 /nfs/dbraw/zinc/95/79/06/923957906.db2.gz NGTIKOQCAHPUPG-FRRDWIJNSA-N 2 2 285.388 -0.328 20 0 CBADLP CC(C)[C@H]([NH3+])CNC(=O)[C@H]1CC[C@@H](C[NH+]2CCOCC2)O1 ZINC001553352996 923958384 /nfs/dbraw/zinc/95/83/84/923958384.db2.gz AGSPRIUEXVJIJF-BFHYXJOUSA-N 2 2 299.415 -0.034 20 0 CBADLP CC(C)[C@H]([NH3+])CNC(=O)[C@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001553352997 923958586 /nfs/dbraw/zinc/95/85/86/923958586.db2.gz AGSPRIUEXVJIJF-MGPQQGTHSA-N 2 2 299.415 -0.034 20 0 CBADLP CC(C)([NH3+])CNC(=O)[C@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001553356137 923959749 /nfs/dbraw/zinc/95/97/49/923959749.db2.gz DUZHRJOMSLDPPQ-VXGBXAGGSA-N 2 2 285.388 -0.280 20 0 CBADLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@@H]1C[C@H]2OCC[C@@H]2[NH2+]1 ZINC001553412338 923988304 /nfs/dbraw/zinc/98/83/04/923988304.db2.gz ODRAONGQSIWUSL-RWMBFGLXSA-N 2 2 297.399 -0.267 20 0 CBADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@@H]1C[C@H]2OCC[C@@H]2[NH2+]1 ZINC001553412338 923988323 /nfs/dbraw/zinc/98/83/23/923988323.db2.gz ODRAONGQSIWUSL-RWMBFGLXSA-N 2 2 297.399 -0.267 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)[C@H](C)CO1 ZINC001553424531 923992470 /nfs/dbraw/zinc/99/24/70/923992470.db2.gz PQDBGWUECRRMBM-DGTMBMJNSA-N 2 2 297.399 -0.269 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)[C@H](C)CO1 ZINC001553424531 923992481 /nfs/dbraw/zinc/99/24/81/923992481.db2.gz PQDBGWUECRRMBM-DGTMBMJNSA-N 2 2 297.399 -0.269 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)CC1 ZINC001553429949 923996223 /nfs/dbraw/zinc/99/62/23/923996223.db2.gz LLXINFLUQCOTPR-AGIUHOORSA-N 3 2 282.388 -0.955 20 0 CBADLP C[N@@H+]1CCO[C@H](CNC(=O)N2CC[C@H]3CC[NH2+]C[C@H]3C2)C1 ZINC001553447870 924001617 /nfs/dbraw/zinc/00/16/17/924001617.db2.gz WKPFOYSVEPODDD-HZSPNIEDSA-N 2 2 296.415 -0.042 20 0 CBADLP C[N@H+]1CCO[C@H](CNC(=O)N2CC[C@H]3CC[NH2+]C[C@H]3C2)C1 ZINC001553447870 924001632 /nfs/dbraw/zinc/00/16/32/924001632.db2.gz WKPFOYSVEPODDD-HZSPNIEDSA-N 2 2 296.415 -0.042 20 0 CBADLP C[N@H+]1CCO[C@H](CNC(=O)N2C[C@@H]3[C@@H](C[NH3+])[C@@H]3C2)C1 ZINC001553443787 924002234 /nfs/dbraw/zinc/00/22/34/924002234.db2.gz JKRGZTMLVNKWCO-KKOKHZNYSA-N 2 2 268.361 -0.837 20 0 CBADLP C[N@@H+]1CCO[C@H](CNC(=O)N2C[C@@H]3[C@@H](C[NH3+])[C@@H]3C2)C1 ZINC001553443787 924002220 /nfs/dbraw/zinc/00/22/20/924002220.db2.gz JKRGZTMLVNKWCO-KKOKHZNYSA-N 2 2 268.361 -0.837 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)CC1 ZINC001553528229 924026677 /nfs/dbraw/zinc/02/66/77/924026677.db2.gz NDOWCTLOIFVIKS-KBPBESRZSA-N 3 2 295.431 -0.055 20 0 CBADLP C[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+]2C2CCCC2)[C@@H](O)C1 ZINC001553646024 924033445 /nfs/dbraw/zinc/03/34/45/924033445.db2.gz CGZAZTSPJKDREZ-AGIUHOORSA-N 2 2 267.373 -0.206 20 0 CBADLP C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+]2C2CCCC2)[C@@H](O)C1 ZINC001553646024 924033453 /nfs/dbraw/zinc/03/34/53/924033453.db2.gz CGZAZTSPJKDREZ-AGIUHOORSA-N 2 2 267.373 -0.206 20 0 CBADLP C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+]2C2CCCC2)[C@@H](O)C1 ZINC001553646024 924033468 /nfs/dbraw/zinc/03/34/68/924033468.db2.gz CGZAZTSPJKDREZ-AGIUHOORSA-N 2 2 267.373 -0.206 20 0 CBADLP C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+]2C2CCCC2)[C@@H](O)C1 ZINC001553646024 924033485 /nfs/dbraw/zinc/03/34/85/924033485.db2.gz CGZAZTSPJKDREZ-AGIUHOORSA-N 2 2 267.373 -0.206 20 0 CBADLP C[C@@H]1[C@H](C(=O)N[C@H](CO)Cc2c[nH]c[nH+]2)CC[N@@H+]1C ZINC001558026844 924147043 /nfs/dbraw/zinc/14/70/43/924147043.db2.gz JSGPMQXBAZAEQI-ADEWGFFLSA-N 2 2 266.345 -0.231 20 0 CBADLP C[C@@H]1[C@H](C(=O)N[C@H](CO)Cc2c[nH]c[nH+]2)CC[N@H+]1C ZINC001558026844 924147056 /nfs/dbraw/zinc/14/70/56/924147056.db2.gz JSGPMQXBAZAEQI-ADEWGFFLSA-N 2 2 266.345 -0.231 20 0 CBADLP C[C@@H]1[C@H](C(=O)N[C@H](CO)Cc2c[nH+]c[nH]2)CC[N@@H+]1C ZINC001558026844 924147061 /nfs/dbraw/zinc/14/70/61/924147061.db2.gz JSGPMQXBAZAEQI-ADEWGFFLSA-N 2 2 266.345 -0.231 20 0 CBADLP C[C@@H]1[C@H](C(=O)N[C@H](CO)Cc2c[nH+]c[nH]2)CC[N@H+]1C ZINC001558026844 924147069 /nfs/dbraw/zinc/14/70/69/924147069.db2.gz JSGPMQXBAZAEQI-ADEWGFFLSA-N 2 2 266.345 -0.231 20 0 CBADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC000124763699 187152629 /nfs/dbraw/zinc/15/26/29/187152629.db2.gz KBOAWECBSGSLPW-CYBMUJFWSA-N 2 2 298.431 -0.003 20 0 CBADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC000124763699 187152630 /nfs/dbraw/zinc/15/26/30/187152630.db2.gz KBOAWECBSGSLPW-CYBMUJFWSA-N 2 2 298.431 -0.003 20 0 CBADLP C[C@]1(C[NH3+])CC[N@H+](CC(=O)NCCCN2CCCC2=O)C1 ZINC000337738752 214240671 /nfs/dbraw/zinc/24/06/71/214240671.db2.gz BTXFIIVWVCXRLS-OAHLLOKOSA-N 2 2 296.415 -0.214 20 0 CBADLP C[C@]1(C[NH3+])CC[N@@H+](CC(=O)NCCCN2CCCC2=O)C1 ZINC000337738752 214240673 /nfs/dbraw/zinc/24/06/73/214240673.db2.gz BTXFIIVWVCXRLS-OAHLLOKOSA-N 2 2 296.415 -0.214 20 0 CBADLP C[C@H](C(=O)NCC[NH+]1CCOCC1)N1CC[NH+](C)CC1 ZINC000338014718 214360188 /nfs/dbraw/zinc/36/01/88/214360188.db2.gz CRCGUNGCGTTYGQ-CYBMUJFWSA-N 2 2 284.404 -0.929 20 0 CBADLP C[C@H]1CC[NH2+][C@@H](C(=O)NCC[NH+]2CCOCC2)C1 ZINC000126013385 187210800 /nfs/dbraw/zinc/21/08/00/187210800.db2.gz HZJGLPUATBHNMW-NWDGAFQWSA-N 2 2 255.362 -0.177 20 0 CBADLP COC[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000367653166 293117784 /nfs/dbraw/zinc/11/77/84/293117784.db2.gz LVJPATMXGHSOJP-YNEHKIRRSA-N 2 2 285.388 -0.280 20 0 CBADLP C[NH2+]C[C@@H](C)C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000430802348 290671984 /nfs/dbraw/zinc/67/19/84/290671984.db2.gz LPJKHLXBSGXGAB-SNVBAGLBSA-N 2 2 270.377 -0.750 20 0 CBADLP C[C@@H](CNC(=O)N1CC[NH+](C)CC1)C[NH+]1CCOCC1 ZINC000351174725 219083226 /nfs/dbraw/zinc/08/32/26/219083226.db2.gz YIANODKEUQTVFD-ZDUSSCGKSA-N 2 2 284.404 -0.088 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000178097933 529787338 /nfs/dbraw/zinc/78/73/38/529787338.db2.gz LZURPPNJPRQEOX-KBPBESRZSA-N 2 2 297.399 -0.502 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000178097933 529787339 /nfs/dbraw/zinc/78/73/39/529787339.db2.gz LZURPPNJPRQEOX-KBPBESRZSA-N 2 2 297.399 -0.502 20 0 CBADLP C[N@@H+]1CC[C@@](O)(CNC(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493415278 529799934 /nfs/dbraw/zinc/79/99/34/529799934.db2.gz COBVLBIYHJDBRF-QAVQXKDTSA-N 2 2 250.302 -0.394 20 0 CBADLP C[N@H+]1CC[C@@](O)(CNC(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493415278 529799936 /nfs/dbraw/zinc/79/99/36/529799936.db2.gz COBVLBIYHJDBRF-QAVQXKDTSA-N 2 2 250.302 -0.394 20 0 CBADLP COC[C@@](C)(CCO)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000351541079 219120219 /nfs/dbraw/zinc/12/02/19/219120219.db2.gz PNBZFOVKBSZWTA-QWHCGFSZSA-N 2 2 260.378 -0.181 20 0 CBADLP COC[C@@](C)(CCO)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351541079 219120221 /nfs/dbraw/zinc/12/02/21/219120221.db2.gz PNBZFOVKBSZWTA-QWHCGFSZSA-N 2 2 260.378 -0.181 20 0 CBADLP Cc1cc(C)c(CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)c[nH+]1 ZINC000573578544 334949378 /nfs/dbraw/zinc/94/93/78/334949378.db2.gz DQXVCPKOAWJCBA-LBPRGKRZSA-N 2 2 276.340 -0.207 20 0 CBADLP COC[C@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000127083036 187281595 /nfs/dbraw/zinc/28/15/95/187281595.db2.gz SRYRGQJEQKOTDU-QWHCGFSZSA-N 2 2 258.362 -0.352 20 0 CBADLP COC[C@H](O)C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000127083036 187281597 /nfs/dbraw/zinc/28/15/97/187281597.db2.gz SRYRGQJEQKOTDU-QWHCGFSZSA-N 2 2 258.362 -0.352 20 0 CBADLP CN(C)C(=O)NCC[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000351574561 219131662 /nfs/dbraw/zinc/13/16/62/219131662.db2.gz PGDZSLOEZOPKIX-LBPRGKRZSA-N 2 2 272.393 -0.356 20 0 CBADLP CN(C)C(=O)NCC[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000351574561 219131663 /nfs/dbraw/zinc/13/16/63/219131663.db2.gz PGDZSLOEZOPKIX-LBPRGKRZSA-N 2 2 272.393 -0.356 20 0 CBADLP CN(C)C(=O)NCC[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000351574561 219131665 /nfs/dbraw/zinc/13/16/65/219131665.db2.gz PGDZSLOEZOPKIX-LBPRGKRZSA-N 2 2 272.393 -0.356 20 0 CBADLP CN(C)C(=O)NCC[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351574561 219131666 /nfs/dbraw/zinc/13/16/66/219131666.db2.gz PGDZSLOEZOPKIX-LBPRGKRZSA-N 2 2 272.393 -0.356 20 0 CBADLP C[C@H]1CN(C(=O)[C@@H]2CCC[NH2+]2)C[C@@H]1[NH+]1CCOCC1 ZINC000178861485 290737720 /nfs/dbraw/zinc/73/77/20/290737720.db2.gz AWQUWWKYXNQPTC-AVGNSLFASA-N 2 2 267.373 -0.083 20 0 CBADLP C[NH+](CC(O)C[N@@H+](C)[C@@H]1CCOC1)[C@@H]1CCOC1 ZINC000447351952 282379708 /nfs/dbraw/zinc/37/97/08/282379708.db2.gz VIGLERZMZWQBSE-VXGBXAGGSA-N 2 2 258.362 -0.211 20 0 CBADLP C[NH+](CC(O)C[N@H+](C)[C@@H]1CCOC1)[C@@H]1CCOC1 ZINC000447351952 282379709 /nfs/dbraw/zinc/37/97/09/282379709.db2.gz VIGLERZMZWQBSE-VXGBXAGGSA-N 2 2 258.362 -0.211 20 0 CBADLP C[C@H](C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1)S(C)(=O)=O ZINC000518965446 265252584 /nfs/dbraw/zinc/25/25/84/265252584.db2.gz NBEMRBWHHZGMEB-MWLCHTKSSA-N 2 2 264.391 -0.536 20 0 CBADLP C[C@H](C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)S(C)(=O)=O ZINC000518965446 265252586 /nfs/dbraw/zinc/25/25/86/265252586.db2.gz NBEMRBWHHZGMEB-MWLCHTKSSA-N 2 2 264.391 -0.536 20 0 CBADLP C[N@@H+]1CCO[C@H](CNC(=O)N[C@H]2CCCC[NH2+]C2)C1 ZINC000333613001 290109054 /nfs/dbraw/zinc/10/90/54/290109054.db2.gz QUHMVSQQKUFMFN-NWDGAFQWSA-N 2 2 270.377 -0.242 20 0 CBADLP C[N@H+]1CCO[C@H](CNC(=O)N[C@H]2CCCC[NH2+]C2)C1 ZINC000333613001 290109057 /nfs/dbraw/zinc/10/90/57/290109057.db2.gz QUHMVSQQKUFMFN-NWDGAFQWSA-N 2 2 270.377 -0.242 20 0 CBADLP C[N@H+](C[C@@H](O)C[NH2+][C@@H](C(N)=O)C(C)(C)C)C1CC1 ZINC000351710315 219181380 /nfs/dbraw/zinc/18/13/80/219181380.db2.gz BWTDXQBXVUORBZ-QWRGUYRKSA-N 2 2 257.378 -0.069 20 0 CBADLP C[N@@H+](C[C@@H](O)C[NH2+][C@@H](C(N)=O)C(C)(C)C)C1CC1 ZINC000351710315 219181382 /nfs/dbraw/zinc/18/13/82/219181382.db2.gz BWTDXQBXVUORBZ-QWRGUYRKSA-N 2 2 257.378 -0.069 20 0 CBADLP C[N@H+](C[C@@H](O)C[NH+]1CC[C@H](NC(N)=O)C1)C1CC1 ZINC000351714160 219183225 /nfs/dbraw/zinc/18/32/25/219183225.db2.gz ZQFGSSQWXZWHFE-GXSJLCMTSA-N 2 2 256.350 -0.816 20 0 CBADLP C[N@@H+](C[C@@H](O)C[NH+]1CC[C@H](NC(N)=O)C1)C1CC1 ZINC000351714160 219183227 /nfs/dbraw/zinc/18/32/27/219183227.db2.gz ZQFGSSQWXZWHFE-GXSJLCMTSA-N 2 2 256.350 -0.816 20 0 CBADLP C[NH+](C[C@@H](O)C[N@@H+]1CC[C@H](NC(N)=O)C1)C1CC1 ZINC000351714160 219183228 /nfs/dbraw/zinc/18/32/28/219183228.db2.gz ZQFGSSQWXZWHFE-GXSJLCMTSA-N 2 2 256.350 -0.816 20 0 CBADLP C[NH+](C[C@@H](O)C[N@H+]1CC[C@H](NC(N)=O)C1)C1CC1 ZINC000351714160 219183229 /nfs/dbraw/zinc/18/32/29/219183229.db2.gz ZQFGSSQWXZWHFE-GXSJLCMTSA-N 2 2 256.350 -0.816 20 0 CBADLP C[C@@H](C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C)[NH+]1CCOCC1 ZINC000356393442 295750629 /nfs/dbraw/zinc/75/06/29/295750629.db2.gz RSPIEYCTQGOHJX-WOPDTQHZSA-N 2 2 255.362 -0.084 20 0 CBADLP C[NH2+]CCNC(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000237392555 136591831 /nfs/dbraw/zinc/59/18/31/136591831.db2.gz VWSCKEKMGMTHSI-UHFFFAOYSA-N 2 2 277.372 -0.461 20 0 CBADLP C[C@H](C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1)[NH+]1CCOCC1 ZINC000351826630 219218468 /nfs/dbraw/zinc/21/84/68/219218468.db2.gz HYXIAYBLBYRJIO-QJPTWQEYSA-N 2 2 255.362 -0.097 20 0 CBADLP CC[C@H](C)NC(=O)C[NH+]1CCN(C[C@@H](C)[NH3+])CC1 ZINC000573803292 334967522 /nfs/dbraw/zinc/96/75/22/334967522.db2.gz WMEPSGUKFWXXMD-NEPJUHHUSA-N 2 2 256.394 -0.134 20 0 CBADLP COC(=O)CNC(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339441776 215175429 /nfs/dbraw/zinc/17/54/29/215175429.db2.gz TYRWOMZQBRMYDH-CQSZACIVSA-N 2 2 283.372 -0.307 20 0 CBADLP COC(=O)CNC(=O)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339441776 215175432 /nfs/dbraw/zinc/17/54/32/215175432.db2.gz TYRWOMZQBRMYDH-CQSZACIVSA-N 2 2 283.372 -0.307 20 0 CBADLP COC(=O)CNC(=O)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339441776 215175435 /nfs/dbraw/zinc/17/54/35/215175435.db2.gz TYRWOMZQBRMYDH-CQSZACIVSA-N 2 2 283.372 -0.307 20 0 CBADLP COC(=O)CNC(=O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339441776 215175437 /nfs/dbraw/zinc/17/54/37/215175437.db2.gz TYRWOMZQBRMYDH-CQSZACIVSA-N 2 2 283.372 -0.307 20 0 CBADLP NC(=O)[C@H](Cc1ccccc1)[NH2+]C[C@H]1C[NH+]2CCN1CC2 ZINC000273380009 192132978 /nfs/dbraw/zinc/13/29/78/192132978.db2.gz FUJDZYZJUFJZKK-GJZGRUSLSA-N 2 2 288.395 -0.328 20 0 CBADLP C[C@@H]1[C@H](NC(=O)C(=O)NCCn2cc[nH+]c2)CCC[N@@H+]1C ZINC000339710035 215307055 /nfs/dbraw/zinc/30/70/55/215307055.db2.gz IIBQYTCLHRTXDX-VXGBXAGGSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@@H]1[C@H](NC(=O)C(=O)NCCn2cc[nH+]c2)CCC[N@H+]1C ZINC000339710035 215307056 /nfs/dbraw/zinc/30/70/56/215307056.db2.gz IIBQYTCLHRTXDX-VXGBXAGGSA-N 2 2 293.371 -0.402 20 0 CBADLP O=c1n2ccccc2nn1CC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107580255 186181273 /nfs/dbraw/zinc/18/12/73/186181273.db2.gz HCKSXFLASVNQRJ-TXEJJXNPSA-N 2 2 273.340 -0.353 20 0 CBADLP O=c1n2ccccc2nn1CC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107580255 186181275 /nfs/dbraw/zinc/18/12/75/186181275.db2.gz HCKSXFLASVNQRJ-TXEJJXNPSA-N 2 2 273.340 -0.353 20 0 CBADLP CC(C)[NH2+]CCC(=O)N1CC[NH+](CC(=O)N(C)C)CC1 ZINC000037800596 351405150 /nfs/dbraw/zinc/40/51/50/351405150.db2.gz FZJLLXQXPQMWKD-UHFFFAOYSA-N 2 2 284.404 -0.393 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CSC[NH2+]1 ZINC000037008744 351396676 /nfs/dbraw/zinc/39/66/76/351396676.db2.gz DZWWFSUKANEUTH-UWVGGRQHSA-N 2 2 259.375 -0.514 20 0 CBADLP [NH3+]CCCN1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000037037832 351396804 /nfs/dbraw/zinc/39/68/04/351396804.db2.gz ZPLLXGSADINEHY-UHFFFAOYSA-N 2 2 268.405 -0.035 20 0 CBADLP [NH3+]CCC[NH+]1CCN(CC(=O)N2CCCCC2)CC1 ZINC000037037832 351396809 /nfs/dbraw/zinc/39/68/09/351396809.db2.gz ZPLLXGSADINEHY-UHFFFAOYSA-N 2 2 268.405 -0.035 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CSC[NH2+]1 ZINC000037008746 351397201 /nfs/dbraw/zinc/39/72/01/351397201.db2.gz DZWWFSUKANEUTH-VHSXEESVSA-N 2 2 259.375 -0.514 20 0 CBADLP C[NH+]1CCN(CCNC(=O)[C@H]2CSC[NH2+]2)CC1 ZINC000037760020 351402210 /nfs/dbraw/zinc/40/22/10/351402210.db2.gz AFVRRJDXYSAUKL-SNVBAGLBSA-N 2 2 258.391 -0.988 20 0 CBADLP O=C([C@H]1C[C@H](O)C[NH2+]1)N1CCN(c2cccc[nH+]2)CC1 ZINC000020434228 351352958 /nfs/dbraw/zinc/35/29/58/351352958.db2.gz AZGWEGIYGNQMSY-NWDGAFQWSA-N 2 2 276.340 -0.547 20 0 CBADLP CC(C)(CNC(=O)C[N@@H+]1CCC[C@H](O)C1)[NH+]1CCOCC1 ZINC000020941969 351355336 /nfs/dbraw/zinc/35/53/36/351355336.db2.gz ZNBMVZKUVGCJCC-ZDUSSCGKSA-N 2 2 299.415 -0.330 20 0 CBADLP CC(C)(CNC(=O)C[N@H+]1CCC[C@H](O)C1)[NH+]1CCOCC1 ZINC000020941969 351355342 /nfs/dbraw/zinc/35/53/42/351355342.db2.gz ZNBMVZKUVGCJCC-ZDUSSCGKSA-N 2 2 299.415 -0.330 20 0 CBADLP CC[NH+](CC)C[C@H](C)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000045704365 351451572 /nfs/dbraw/zinc/45/15/72/351451572.db2.gz GSXUJHHSICDATN-UONOGXRCSA-N 2 2 273.421 -0.001 20 0 CBADLP COC(=O)CCC[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000050064974 351499662 /nfs/dbraw/zinc/49/96/62/351499662.db2.gz KNEVHVCYPPPUSR-UHFFFAOYSA-N 2 2 271.361 -0.355 20 0 CBADLP COC(=O)CCC[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000050064974 351499664 /nfs/dbraw/zinc/49/96/64/351499664.db2.gz KNEVHVCYPPPUSR-UHFFFAOYSA-N 2 2 271.361 -0.355 20 0 CBADLP CN(C)C(=O)C[NH+]1CCC(N[C@H]2CC[N@H+](C)C2)CC1 ZINC000049084776 351486130 /nfs/dbraw/zinc/48/61/30/351486130.db2.gz KNJGAPAJGDZPQW-ZDUSSCGKSA-N 2 2 268.405 -0.167 20 0 CBADLP CN(C)C(=O)C[NH+]1CCC(N[C@H]2CC[N@@H+](C)C2)CC1 ZINC000049084776 351486135 /nfs/dbraw/zinc/48/61/35/351486135.db2.gz KNJGAPAJGDZPQW-ZDUSSCGKSA-N 2 2 268.405 -0.167 20 0 CBADLP CC[NH+]1CCC(NC(=O)C[N@H+](C)CC(=O)NC)CC1 ZINC000053148858 351525420 /nfs/dbraw/zinc/52/54/20/351525420.db2.gz LKZQWZHVLLPOSA-UHFFFAOYSA-N 2 2 270.377 -0.735 20 0 CBADLP CC[NH+]1CCC(NC(=O)C[N@@H+](C)CC(=O)NC)CC1 ZINC000053148858 351525426 /nfs/dbraw/zinc/52/54/26/351525426.db2.gz LKZQWZHVLLPOSA-UHFFFAOYSA-N 2 2 270.377 -0.735 20 0 CBADLP CC(C)(CNC(=O)[C@@H]1CC[NH2+]C1)[NH+]1CCOCC1 ZINC000062115910 351574810 /nfs/dbraw/zinc/57/48/10/351574810.db2.gz HRIHPSRCYDQLLD-LLVKDONJSA-N 2 2 255.362 -0.177 20 0 CBADLP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1CCN1C(=O)CNC1=O ZINC000063195074 351581771 /nfs/dbraw/zinc/58/17/71/351581771.db2.gz ANKLWPHNDGFLKU-VHSXEESVSA-N 2 2 254.334 -0.260 20 0 CBADLP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1CCN1C(=O)CNC1=O ZINC000063195074 351581774 /nfs/dbraw/zinc/58/17/74/351581774.db2.gz ANKLWPHNDGFLKU-VHSXEESVSA-N 2 2 254.334 -0.260 20 0 CBADLP C[NH+](C)CC(=O)N1CC[NH+](CCCN2CCCC2=O)CC1 ZINC000064508357 351586416 /nfs/dbraw/zinc/58/64/16/351586416.db2.gz HENXWTSZYHFRJU-UHFFFAOYSA-N 2 2 296.415 -0.295 20 0 CBADLP C[C@@H](c1cnccn1)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000070480012 351639984 /nfs/dbraw/zinc/63/99/84/351639984.db2.gz GJLRPAAUIXJATA-NSHDSACASA-N 2 2 263.345 -0.099 20 0 CBADLP C[C@@H](c1cnccn1)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000070480012 351639988 /nfs/dbraw/zinc/63/99/88/351639988.db2.gz GJLRPAAUIXJATA-NSHDSACASA-N 2 2 263.345 -0.099 20 0 CBADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC000068441879 351618676 /nfs/dbraw/zinc/61/86/76/351618676.db2.gz BCJVZVCAYYZTPT-UHFFFAOYSA-N 2 2 298.431 -0.003 20 0 CBADLP CCNC(=O)C[N@H+]1CCCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC000068441879 351618678 /nfs/dbraw/zinc/61/86/78/351618678.db2.gz BCJVZVCAYYZTPT-UHFFFAOYSA-N 2 2 298.431 -0.003 20 0 CBADLP CCNC(=O)C[NH+]1CCCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC000068441879 351618681 /nfs/dbraw/zinc/61/86/81/351618681.db2.gz BCJVZVCAYYZTPT-UHFFFAOYSA-N 2 2 298.431 -0.003 20 0 CBADLP CCNC(=O)C[NH+]1CCCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC000068441879 351618684 /nfs/dbraw/zinc/61/86/84/351618684.db2.gz BCJVZVCAYYZTPT-UHFFFAOYSA-N 2 2 298.431 -0.003 20 0 CBADLP CC(C)[NH2+]CCC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000068807361 351622012 /nfs/dbraw/zinc/62/20/12/351622012.db2.gz UCLAXWHBWFZVHS-LBPRGKRZSA-N 2 2 256.394 -0.264 20 0 CBADLP CC(C)[NH2+]CCC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000068807361 351622017 /nfs/dbraw/zinc/62/20/17/351622017.db2.gz UCLAXWHBWFZVHS-LBPRGKRZSA-N 2 2 256.394 -0.264 20 0 CBADLP CC(C)COC[C@@H](O)C[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000068805412 351622455 /nfs/dbraw/zinc/62/24/55/351622455.db2.gz IOUSKRBTNNJBMI-KBPBESRZSA-N 2 2 273.421 -0.145 20 0 CBADLP CC(C)COC[C@@H](O)C[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000068805412 351622458 /nfs/dbraw/zinc/62/24/58/351622458.db2.gz IOUSKRBTNNJBMI-KBPBESRZSA-N 2 2 273.421 -0.145 20 0 CBADLP C[C@@H](CNC(=O)NCCn1cc[nH+]c1)[NH+]1CCOCC1 ZINC000079254684 351690426 /nfs/dbraw/zinc/69/04/26/351690426.db2.gz CERVSBVLUDHSKJ-LBPRGKRZSA-N 2 2 281.360 -0.097 20 0 CBADLP C[C@H](CNC(=O)NCCn1cc[nH+]c1)[NH+]1CCOCC1 ZINC000079254688 351691199 /nfs/dbraw/zinc/69/11/99/351691199.db2.gz CERVSBVLUDHSKJ-GFCCVEGCSA-N 2 2 281.360 -0.097 20 0 CBADLP O=C([C@@H]1CCCCC[NH2+]1)N1CC[NH+](CCO)CC1 ZINC000080993872 351701871 /nfs/dbraw/zinc/70/18/71/351701871.db2.gz UAIVHIKLTRUNKA-LBPRGKRZSA-N 2 2 255.362 -0.345 20 0 CBADLP O=C(NCC[NH+]1CCOCC1)[C@@H]1CCCCC[NH2+]1 ZINC000080993405 351702060 /nfs/dbraw/zinc/70/20/60/351702060.db2.gz QAWUKAIKCOHERX-LBPRGKRZSA-N 2 2 255.362 -0.033 20 0 CBADLP CN(CCCN1CC[NH+](C)CC1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000081047144 351702593 /nfs/dbraw/zinc/70/25/93/351702593.db2.gz JTIFWYVPURLYTC-CQSZACIVSA-N 2 2 298.431 -0.587 20 0 CBADLP CN(CCCN1CC[NH+](C)CC1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000081047144 351702597 /nfs/dbraw/zinc/70/25/97/351702597.db2.gz JTIFWYVPURLYTC-CQSZACIVSA-N 2 2 298.431 -0.587 20 0 CBADLP CN(CCC[NH+]1CCN(C)CC1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000081047144 351702599 /nfs/dbraw/zinc/70/25/99/351702599.db2.gz JTIFWYVPURLYTC-CQSZACIVSA-N 2 2 298.431 -0.587 20 0 CBADLP CN(CCC[NH+]1CCN(C)CC1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000081047144 351702600 /nfs/dbraw/zinc/70/26/00/351702600.db2.gz JTIFWYVPURLYTC-CQSZACIVSA-N 2 2 298.431 -0.587 20 0 CBADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000081234625 351702738 /nfs/dbraw/zinc/70/27/38/351702738.db2.gz MMDPJPYZDZRDFL-KGLIPLIRSA-N 2 2 299.415 -0.210 20 0 CBADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000081234625 351702742 /nfs/dbraw/zinc/70/27/42/351702742.db2.gz MMDPJPYZDZRDFL-KGLIPLIRSA-N 2 2 299.415 -0.210 20 0 CBADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000081234625 351702744 /nfs/dbraw/zinc/70/27/44/351702744.db2.gz MMDPJPYZDZRDFL-KGLIPLIRSA-N 2 2 299.415 -0.210 20 0 CBADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000081234625 351702747 /nfs/dbraw/zinc/70/27/47/351702747.db2.gz MMDPJPYZDZRDFL-KGLIPLIRSA-N 2 2 299.415 -0.210 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000081292995 351704653 /nfs/dbraw/zinc/70/46/53/351704653.db2.gz SSUCPTWSCLOFPT-PWSUYJOCSA-N 2 2 253.346 -0.330 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000081292995 351704655 /nfs/dbraw/zinc/70/46/55/351704655.db2.gz SSUCPTWSCLOFPT-PWSUYJOCSA-N 2 2 253.346 -0.330 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000081292995 351704660 /nfs/dbraw/zinc/70/46/60/351704660.db2.gz SSUCPTWSCLOFPT-PWSUYJOCSA-N 2 2 253.346 -0.330 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000081292995 351704662 /nfs/dbraw/zinc/70/46/62/351704662.db2.gz SSUCPTWSCLOFPT-PWSUYJOCSA-N 2 2 253.346 -0.330 20 0 CBADLP C[NH+](C)CC(=O)N1CCN(CCC[NH+]2CCOCC2)CC1 ZINC000075625084 351668728 /nfs/dbraw/zinc/66/87/28/351668728.db2.gz LQCHKZIOWWNIGD-UHFFFAOYSA-N 2 2 298.431 -0.586 20 0 CBADLP C[NH+](C)CC(=O)N1CC[NH+](CCCN2CCOCC2)CC1 ZINC000075625084 351668733 /nfs/dbraw/zinc/66/87/33/351668733.db2.gz LQCHKZIOWWNIGD-UHFFFAOYSA-N 2 2 298.431 -0.586 20 0 CBADLP CN(C)c1nc(N2CC[NH+](CCO)CC2)cc[nH+]1 ZINC000085432304 351719136 /nfs/dbraw/zinc/71/91/36/351719136.db2.gz TUZQPKXDZJNXDG-UHFFFAOYSA-N 2 2 251.334 -0.343 20 0 CBADLP O=C([C@@H]1COCC[NH2+]1)N1CC[NH+](CC2CC2)CC1 ZINC000088370895 351724107 /nfs/dbraw/zinc/72/41/07/351724107.db2.gz DUMHICGXBJYSSV-LBPRGKRZSA-N 2 2 253.346 -0.471 20 0 CBADLP CCOC[C@@H](O)C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000089926749 351734951 /nfs/dbraw/zinc/73/49/51/351734951.db2.gz JENWIRVJPPBUKD-LBPRGKRZSA-N 2 2 268.361 -0.061 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C[C@H]1C[NH2+]CCO1 ZINC000091299749 351743616 /nfs/dbraw/zinc/74/36/16/351743616.db2.gz DPPKEDNKPNHJNA-NEPJUHHUSA-N 2 2 271.361 -0.798 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000091299747 351743792 /nfs/dbraw/zinc/74/37/92/351743792.db2.gz DPPKEDNKPNHJNA-VXGBXAGGSA-N 2 2 271.361 -0.798 20 0 CBADLP COCC[NH2+]CC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000092495742 351750232 /nfs/dbraw/zinc/75/02/32/351750232.db2.gz KUAHEHYJBRTIKL-UHFFFAOYSA-N 2 2 292.383 -0.038 20 0 CBADLP O=C(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)NC(=O)NC1CCCC1 ZINC000107855321 351795674 /nfs/dbraw/zinc/79/56/74/351795674.db2.gz KNHUFLIEFWVIGG-QWRGUYRKSA-N 2 2 280.372 -0.094 20 0 CBADLP C[NH+]1CCN(C(=O)CC2CC[NH+](CC(N)=O)CC2)CC1 ZINC000109789045 351798259 /nfs/dbraw/zinc/79/82/59/351798259.db2.gz DHTZJOIXYCKXPY-UHFFFAOYSA-N 2 2 282.388 -0.652 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH+]2CCC(c3nnc[nH]3)CC2)CC1 ZINC000093188503 351757781 /nfs/dbraw/zinc/75/77/81/351757781.db2.gz IZUCPROBPDRCTM-UHFFFAOYSA-N 2 2 292.387 -0.242 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@]3(CCOC3)C2)CC1 ZINC000093189158 351758429 /nfs/dbraw/zinc/75/84/29/351758429.db2.gz AHGLGPQKSXEWIB-CQSZACIVSA-N 2 2 267.373 -0.127 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@]3(CCOC3)C2)CC1 ZINC000093189158 351758431 /nfs/dbraw/zinc/75/84/31/351758431.db2.gz AHGLGPQKSXEWIB-CQSZACIVSA-N 2 2 267.373 -0.127 20 0 CBADLP CCOCCO[C@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000093204286 351758536 /nfs/dbraw/zinc/75/85/36/351758536.db2.gz IMYZIGQSKHKPOV-AWEZNQCLSA-N 2 2 299.415 -0.112 20 0 CBADLP CCOCCO[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000093204286 351758538 /nfs/dbraw/zinc/75/85/38/351758538.db2.gz IMYZIGQSKHKPOV-AWEZNQCLSA-N 2 2 299.415 -0.112 20 0 CBADLP CO[C@H]1CCC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000093171665 351758571 /nfs/dbraw/zinc/75/85/71/351758571.db2.gz PTFZOVIJOGHNFE-LBPRGKRZSA-N 2 2 255.362 -0.129 20 0 CBADLP CO[C@H]1CCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000093171665 351758576 /nfs/dbraw/zinc/75/85/76/351758576.db2.gz PTFZOVIJOGHNFE-LBPRGKRZSA-N 2 2 255.362 -0.129 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C(=O)NC2CC2)CC1 ZINC000093173880 351758807 /nfs/dbraw/zinc/75/88/07/351758807.db2.gz YDIFKVWNYJETBO-ZDUSSCGKSA-N 2 2 294.399 -0.497 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]2C(=O)NC2CC2)CC1 ZINC000093173880 351758813 /nfs/dbraw/zinc/75/88/13/351758813.db2.gz YDIFKVWNYJETBO-ZDUSSCGKSA-N 2 2 294.399 -0.497 20 0 CBADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000094342229 351764062 /nfs/dbraw/zinc/76/40/62/351764062.db2.gz QWMBEDSOZUPLSP-UTLUCORTSA-N 2 2 256.350 -0.110 20 0 CBADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000094342229 351764066 /nfs/dbraw/zinc/76/40/66/351764066.db2.gz QWMBEDSOZUPLSP-UTLUCORTSA-N 2 2 256.350 -0.110 20 0 CBADLP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1COCC[NH2+]1 ZINC000094459965 351764129 /nfs/dbraw/zinc/76/41/29/351764129.db2.gz QPMPXDNCFDUXRE-UTUOFQBUSA-N 2 2 253.346 -0.330 20 0 CBADLP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1COCC[NH2+]1 ZINC000094459965 351764136 /nfs/dbraw/zinc/76/41/36/351764136.db2.gz QPMPXDNCFDUXRE-UTUOFQBUSA-N 2 2 253.346 -0.330 20 0 CBADLP O=C(C[NH+]1CCCC1)N1CC[NH+](CCOCCO)CC1 ZINC000118888673 351830016 /nfs/dbraw/zinc/83/00/16/351830016.db2.gz XVFVNKQBDIFKOK-UHFFFAOYSA-N 2 2 285.388 -0.765 20 0 CBADLP OCC[NH+](CC1(C[N@@H+](CCO)C2CC2)COC1)C1CC1 ZINC000119336519 351833333 /nfs/dbraw/zinc/83/33/33/351833333.db2.gz IBEXAOCUSBJPBO-UHFFFAOYSA-N 2 2 284.400 -0.084 20 0 CBADLP OCC[NH+](CC1(C[N@H+](CCO)C2CC2)COC1)C1CC1 ZINC000119336519 351833335 /nfs/dbraw/zinc/83/33/35/351833335.db2.gz IBEXAOCUSBJPBO-UHFFFAOYSA-N 2 2 284.400 -0.084 20 0 CBADLP C[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N2CCOCC2)C1 ZINC000113513886 351815071 /nfs/dbraw/zinc/81/50/71/351815071.db2.gz YCLYRLQIBCNCNZ-LBPRGKRZSA-N 2 2 255.362 -0.271 20 0 CBADLP C[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC000113513886 351815073 /nfs/dbraw/zinc/81/50/73/351815073.db2.gz YCLYRLQIBCNCNZ-LBPRGKRZSA-N 2 2 255.362 -0.271 20 0 CBADLP CC(=O)NCC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000122995971 187064685 /nfs/dbraw/zinc/06/46/85/187064685.db2.gz XKIZHTFSNDQYTD-UHFFFAOYSA-N 2 2 284.404 -0.393 20 0 CBADLP CC(=O)NCC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000122995971 187064686 /nfs/dbraw/zinc/06/46/86/187064686.db2.gz XKIZHTFSNDQYTD-UHFFFAOYSA-N 2 2 284.404 -0.393 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C[C@H]1COCC[NH2+]1 ZINC000128931447 351866313 /nfs/dbraw/zinc/86/63/13/351866313.db2.gz USDIHKDPLMQNIM-QWRGUYRKSA-N 2 2 252.318 -0.234 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2C[C@H](O)C2(C)C)CC1 ZINC000129552191 351871600 /nfs/dbraw/zinc/87/16/00/351871600.db2.gz DPFKVVJNSLPKRN-MNOVXSKESA-N 2 2 255.362 -0.491 20 0 CBADLP C[C@H]1C[C@H]([NH+](C)CC(=O)N2CCNC(=O)C2)CC[N@@H+]1C ZINC000123837353 187111217 /nfs/dbraw/zinc/11/12/17/187111217.db2.gz XIOAMPSUSGEERT-NWDGAFQWSA-N 2 2 282.388 -0.641 20 0 CBADLP C[C@H]1C[C@H]([NH+](C)CC(=O)N2CCNC(=O)C2)CC[N@H+]1C ZINC000123837353 187111218 /nfs/dbraw/zinc/11/12/18/187111218.db2.gz XIOAMPSUSGEERT-NWDGAFQWSA-N 2 2 282.388 -0.641 20 0 CBADLP C[C@H]1C[C@H]([N@H+](C)CC(=O)N2CCNC(=O)C2)CC[NH+]1C ZINC000123837353 187111219 /nfs/dbraw/zinc/11/12/19/187111219.db2.gz XIOAMPSUSGEERT-NWDGAFQWSA-N 2 2 282.388 -0.641 20 0 CBADLP C[C@H]1C[C@H]([N@@H+](C)CC(=O)N2CCNC(=O)C2)CC[NH+]1C ZINC000123837353 187111220 /nfs/dbraw/zinc/11/12/20/187111220.db2.gz XIOAMPSUSGEERT-NWDGAFQWSA-N 2 2 282.388 -0.641 20 0 CBADLP O=C(C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)N1CCNC1=O ZINC000150767233 351931499 /nfs/dbraw/zinc/93/14/99/351931499.db2.gz FVTVKTNSBHWQCF-LBPRGKRZSA-N 2 2 280.372 -0.044 20 0 CBADLP O=C(C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)N1CCNC1=O ZINC000150767233 351931500 /nfs/dbraw/zinc/93/15/00/351931500.db2.gz FVTVKTNSBHWQCF-LBPRGKRZSA-N 2 2 280.372 -0.044 20 0 CBADLP C[C@H](C(=O)NC[C@@](C)(O)C[NH+](C)C)[NH+]1CCSCC1 ZINC000152846434 351941370 /nfs/dbraw/zinc/94/13/70/351941370.db2.gz XJSAESSVPVDFMH-DGCLKSJQSA-N 2 2 289.445 -0.148 20 0 CBADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CC(N)=O)CC1 ZINC000153987450 351944306 /nfs/dbraw/zinc/94/43/06/351944306.db2.gz PXDGTFHXLRVGLT-BETUJISGSA-N 2 2 268.405 -0.038 20 0 CBADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CC(N)=O)CC1 ZINC000153987450 351944310 /nfs/dbraw/zinc/94/43/10/351944310.db2.gz PXDGTFHXLRVGLT-BETUJISGSA-N 2 2 268.405 -0.038 20 0 CBADLP [NH3+]Cc1ccc(NC(=O)CN2CC[NH2+]CC2=O)cc1 ZINC000131206924 351884177 /nfs/dbraw/zinc/88/41/77/351884177.db2.gz DGFYBUPMHPVVJH-UHFFFAOYSA-N 2 2 262.313 -0.484 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NCC[NH+](C)C ZINC000133431740 351899291 /nfs/dbraw/zinc/89/92/91/351899291.db2.gz NQFCNUMBBUNZND-LLVKDONJSA-N 2 2 258.366 -0.432 20 0 CBADLP CC[C@H](C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)[NH+](C)C ZINC000133485166 351900288 /nfs/dbraw/zinc/90/02/88/351900288.db2.gz UUTUIZQJPNTNDC-CHWSQXEVSA-N 2 2 287.404 -0.522 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000134155843 351904762 /nfs/dbraw/zinc/90/47/62/351904762.db2.gz UDASHLVDNHWWOM-JTQLQIEISA-N 2 2 278.360 -0.462 20 0 CBADLP C[N@H+](CC(=O)N1CC[NH+](CCO)CC1)[C@H]1CCSC1 ZINC000154195529 351946348 /nfs/dbraw/zinc/94/63/48/351946348.db2.gz UPJKLKSJTZBVNS-LBPRGKRZSA-N 2 2 287.429 -0.440 20 0 CBADLP C[N@@H+](CC(=O)N1CC[NH+](CCO)CC1)[C@H]1CCSC1 ZINC000154195529 351946349 /nfs/dbraw/zinc/94/63/49/351946349.db2.gz UPJKLKSJTZBVNS-LBPRGKRZSA-N 2 2 287.429 -0.440 20 0 CBADLP O=C(CC[C@@H]1CC[NH2+]C1)NCC[NH+]1CCOCC1 ZINC000134471093 351906465 /nfs/dbraw/zinc/90/64/65/351906465.db2.gz PUBRFHARGJNPMY-GFCCVEGCSA-N 2 2 255.362 -0.176 20 0 CBADLP C[C@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)CC[C@@H]1O ZINC000159403368 351963694 /nfs/dbraw/zinc/96/36/94/351963694.db2.gz YKNAZYMWSBGJRJ-RYUDHWBXSA-N 2 2 255.362 -0.537 20 0 CBADLP C[C@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)CC[C@@H]1O ZINC000159403368 351963698 /nfs/dbraw/zinc/96/36/98/351963698.db2.gz YKNAZYMWSBGJRJ-RYUDHWBXSA-N 2 2 255.362 -0.537 20 0 CBADLP C[C@H](NC(=O)c1ccoc1)C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000162272942 351977002 /nfs/dbraw/zinc/97/70/02/351977002.db2.gz DYOXVOKPPVAQCS-JQWIXIFHSA-N 2 2 294.355 -0.501 20 0 CBADLP C[C@H](NC(=O)c1ccoc1)C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000162272942 351977004 /nfs/dbraw/zinc/97/70/04/351977004.db2.gz DYOXVOKPPVAQCS-JQWIXIFHSA-N 2 2 294.355 -0.501 20 0 CBADLP CC(=O)N1CCC[C@@H](C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])C1 ZINC000162299474 351977548 /nfs/dbraw/zinc/97/75/48/351977548.db2.gz QOEDVSOOGRHMQE-OLZOCXBDSA-N 2 2 282.388 -0.654 20 0 CBADLP CC(=O)N1CCC[C@@H](C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])C1 ZINC000162299474 351977550 /nfs/dbraw/zinc/97/75/50/351977550.db2.gz QOEDVSOOGRHMQE-OLZOCXBDSA-N 2 2 282.388 -0.654 20 0 CBADLP CCCNC(=O)NC(=O)C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000163183344 351980726 /nfs/dbraw/zinc/98/07/26/351980726.db2.gz UPGZRKWBKNWHIX-NXEZZACHSA-N 2 2 256.350 -0.109 20 0 CBADLP CCCNC(=O)NC(=O)C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000163183344 351980730 /nfs/dbraw/zinc/98/07/30/351980730.db2.gz UPGZRKWBKNWHIX-NXEZZACHSA-N 2 2 256.350 -0.109 20 0 CBADLP O=C(NCCc1cn2ccccc2[nH+]1)[C@H]1C[NH2+]CCO1 ZINC000164237201 351983368 /nfs/dbraw/zinc/98/33/68/351983368.db2.gz SVJRTCGHGDIVEY-GFCCVEGCSA-N 2 2 274.324 -0.019 20 0 CBADLP CC(C)[C@@H](CNC(=O)[C@H]1C[NH2+]CCO1)[NH+]1CCOCC1 ZINC000164312723 351983868 /nfs/dbraw/zinc/98/38/68/351983868.db2.gz VDKHUJYQAMPVMU-CHWSQXEVSA-N 2 2 285.388 -0.552 20 0 CBADLP CC(C)[C@@H](CNC(=O)[C@@H]1C[NH2+]CCO1)[NH+]1CCOCC1 ZINC000164312477 351983872 /nfs/dbraw/zinc/98/38/72/351983872.db2.gz VDKHUJYQAMPVMU-OLZOCXBDSA-N 2 2 285.388 -0.552 20 0 CBADLP CCC[N@@H+]1CCCN(C(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000166583814 351987318 /nfs/dbraw/zinc/98/73/18/351987318.db2.gz RMNWUPPSUYAKBZ-LBPRGKRZSA-N 2 2 255.362 -0.081 20 0 CBADLP CCC[N@H+]1CCCN(C(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000166583814 351987323 /nfs/dbraw/zinc/98/73/23/351987323.db2.gz RMNWUPPSUYAKBZ-LBPRGKRZSA-N 2 2 255.362 -0.081 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1CSC[NH2+]1)C[NH+]1CCOCC1 ZINC000166600635 351987731 /nfs/dbraw/zinc/98/77/31/351987731.db2.gz BOVBYEFNIHBRDD-QWRGUYRKSA-N 2 2 273.402 -0.267 20 0 CBADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CSC[NH2+]1 ZINC000167265641 351989534 /nfs/dbraw/zinc/98/95/34/351989534.db2.gz RLTQJUSEWCUPMG-MNOVXSKESA-N 2 2 273.402 -0.124 20 0 CBADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CSC[NH2+]1 ZINC000167265641 351989535 /nfs/dbraw/zinc/98/95/35/351989535.db2.gz RLTQJUSEWCUPMG-MNOVXSKESA-N 2 2 273.402 -0.124 20 0 CBADLP CC[C@@H]1CN(C(=O)[C@@H]2COCC[NH2+]2)CC[N@@H+]1CCOC ZINC000168054184 351991353 /nfs/dbraw/zinc/99/13/53/351991353.db2.gz DLBVRLDOCDXZOG-OLZOCXBDSA-N 2 2 285.388 -0.456 20 0 CBADLP CC[C@@H]1CN(C(=O)[C@@H]2COCC[NH2+]2)CC[N@H+]1CCOC ZINC000168054184 351991357 /nfs/dbraw/zinc/99/13/57/351991357.db2.gz DLBVRLDOCDXZOG-OLZOCXBDSA-N 2 2 285.388 -0.456 20 0 CBADLP COCC[N@@H+]1CCN(C(=O)[C@@H]2C[NH2+]CCO2)C[C@H]1C ZINC000168030934 351992160 /nfs/dbraw/zinc/99/21/60/351992160.db2.gz DAZPKVVLFIVSTH-NEPJUHHUSA-N 2 2 271.361 -0.846 20 0 CBADLP COCC[N@H+]1CCN(C(=O)[C@@H]2C[NH2+]CCO2)C[C@H]1C ZINC000168030934 351992162 /nfs/dbraw/zinc/99/21/62/351992162.db2.gz DAZPKVVLFIVSTH-NEPJUHHUSA-N 2 2 271.361 -0.846 20 0 CBADLP CC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)NCCC(=O)OC)C1 ZINC000173905187 352041766 /nfs/dbraw/zinc/04/17/66/352041766.db2.gz OKQPKXSEGQHNBW-LBPRGKRZSA-N 2 2 285.388 -0.061 20 0 CBADLP CC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)NCCC(=O)OC)C1 ZINC000173905187 352041770 /nfs/dbraw/zinc/04/17/70/352041770.db2.gz OKQPKXSEGQHNBW-LBPRGKRZSA-N 2 2 285.388 -0.061 20 0 CBADLP CC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NCCC(=O)OC)C1 ZINC000173905187 352041773 /nfs/dbraw/zinc/04/17/73/352041773.db2.gz OKQPKXSEGQHNBW-LBPRGKRZSA-N 2 2 285.388 -0.061 20 0 CBADLP CC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NCCC(=O)OC)C1 ZINC000173905187 352041774 /nfs/dbraw/zinc/04/17/74/352041774.db2.gz OKQPKXSEGQHNBW-LBPRGKRZSA-N 2 2 285.388 -0.061 20 0 CBADLP CC[N@H+](C)C[C@H]1CC[NH+](CCN2C(=O)CNC2=O)C1 ZINC000173890094 352042143 /nfs/dbraw/zinc/04/21/43/352042143.db2.gz BUWRXKVRURVKIM-LLVKDONJSA-N 2 2 268.361 -0.188 20 0 CBADLP CC[N@@H+](C)C[C@H]1CC[NH+](CCN2C(=O)CNC2=O)C1 ZINC000173890094 352042146 /nfs/dbraw/zinc/04/21/46/352042146.db2.gz BUWRXKVRURVKIM-LLVKDONJSA-N 2 2 268.361 -0.188 20 0 CBADLP CC[NH+](C)C[C@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC000173890094 352042151 /nfs/dbraw/zinc/04/21/51/352042151.db2.gz BUWRXKVRURVKIM-LLVKDONJSA-N 2 2 268.361 -0.188 20 0 CBADLP CC[NH+](C)C[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC000173890094 352042153 /nfs/dbraw/zinc/04/21/53/352042153.db2.gz BUWRXKVRURVKIM-LLVKDONJSA-N 2 2 268.361 -0.188 20 0 CBADLP CN(CCCN1CC[NH+](C)CC1)C(=O)C[NH+](C)C ZINC000174331367 352045779 /nfs/dbraw/zinc/04/57/79/352045779.db2.gz BULZGEMDLXEQTE-UHFFFAOYSA-N 2 2 256.394 -0.356 20 0 CBADLP CN(CCC[NH+]1CCN(C)CC1)C(=O)C[NH+](C)C ZINC000174331367 352045780 /nfs/dbraw/zinc/04/57/80/352045780.db2.gz BULZGEMDLXEQTE-UHFFFAOYSA-N 2 2 256.394 -0.356 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@@](C)(O)C2)CC1 ZINC000177975123 352075980 /nfs/dbraw/zinc/07/59/80/352075980.db2.gz ZUMCEAPEEHHLRS-TZMCWYRMSA-N 2 2 269.389 -0.004 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@@](C)(O)C2)CC1 ZINC000177975123 352075982 /nfs/dbraw/zinc/07/59/82/352075982.db2.gz ZUMCEAPEEHHLRS-TZMCWYRMSA-N 2 2 269.389 -0.004 20 0 CBADLP CC[N@H+](C)CCNC(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000171664906 352014793 /nfs/dbraw/zinc/01/47/93/352014793.db2.gz RDSVYIJCXPRIIZ-NSHDSACASA-N 2 2 258.366 -0.432 20 0 CBADLP CC[N@@H+](C)CCNC(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000171664906 352014798 /nfs/dbraw/zinc/01/47/98/352014798.db2.gz RDSVYIJCXPRIIZ-NSHDSACASA-N 2 2 258.366 -0.432 20 0 CBADLP CC[NH+](C)CCNC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000171664906 352014800 /nfs/dbraw/zinc/01/48/00/352014800.db2.gz RDSVYIJCXPRIIZ-NSHDSACASA-N 2 2 258.366 -0.432 20 0 CBADLP CC[NH+](C)CCNC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000171664906 352014803 /nfs/dbraw/zinc/01/48/03/352014803.db2.gz RDSVYIJCXPRIIZ-NSHDSACASA-N 2 2 258.366 -0.432 20 0 CBADLP C[NH+](C)CCn1ccc(NC(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC000172723535 352030294 /nfs/dbraw/zinc/03/02/94/352030294.db2.gz GSGKBSOUPMWUQM-LLVKDONJSA-N 2 2 281.360 -0.286 20 0 CBADLP C[NH+](C)CCn1ccc(NC(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC000172723535 352030295 /nfs/dbraw/zinc/03/02/95/352030295.db2.gz GSGKBSOUPMWUQM-LLVKDONJSA-N 2 2 281.360 -0.286 20 0 CBADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(=O)n(C)c(=O)n2C)CC[N@@H+]1C ZINC000172848341 352031086 /nfs/dbraw/zinc/03/10/86/352031086.db2.gz XRRXUZGMWKXNNA-NEPJUHHUSA-N 2 2 294.399 -0.002 20 0 CBADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(=O)n(C)c(=O)n2C)CC[N@H+]1C ZINC000172848341 352031089 /nfs/dbraw/zinc/03/10/89/352031089.db2.gz XRRXUZGMWKXNNA-NEPJUHHUSA-N 2 2 294.399 -0.002 20 0 CBADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cc(=O)n(C)c(=O)n2C)CC[NH+]1C ZINC000172848341 352031090 /nfs/dbraw/zinc/03/10/90/352031090.db2.gz XRRXUZGMWKXNNA-NEPJUHHUSA-N 2 2 294.399 -0.002 20 0 CBADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(=O)n(C)c(=O)n2C)CC[NH+]1C ZINC000172848341 352031092 /nfs/dbraw/zinc/03/10/92/352031092.db2.gz XRRXUZGMWKXNNA-NEPJUHHUSA-N 2 2 294.399 -0.002 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000186809685 352132607 /nfs/dbraw/zinc/13/26/07/352132607.db2.gz QSTUHZWWGFNKNK-GFCCVEGCSA-N 2 2 257.378 -0.148 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000186809685 352132610 /nfs/dbraw/zinc/13/26/10/352132610.db2.gz QSTUHZWWGFNKNK-GFCCVEGCSA-N 2 2 257.378 -0.148 20 0 CBADLP CC[NH+](CC)CC(=O)N1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC000178198132 352077533 /nfs/dbraw/zinc/07/75/33/352077533.db2.gz HBUMCMNOASOCLD-GFCCVEGCSA-N 2 2 282.388 -0.639 20 0 CBADLP CC1(C)C[N@H+](CCNC(=O)[C@@H]2CCC[NH2+]2)CCO1 ZINC000178744608 352082514 /nfs/dbraw/zinc/08/25/14/352082514.db2.gz GVRWLWVSIGJPOT-NSHDSACASA-N 2 2 255.362 -0.035 20 0 CBADLP CC1(C)C[N@@H+](CCNC(=O)[C@@H]2CCC[NH2+]2)CCO1 ZINC000178744608 352082516 /nfs/dbraw/zinc/08/25/16/352082516.db2.gz GVRWLWVSIGJPOT-NSHDSACASA-N 2 2 255.362 -0.035 20 0 CBADLP CC1(C)C[N@H+](CCNC(=O)[C@]2(F)CC[NH2+]C2)CCO1 ZINC000178745135 352082601 /nfs/dbraw/zinc/08/26/01/352082601.db2.gz HIYNMPWRYKQZMD-ZDUSSCGKSA-N 2 2 273.352 -0.085 20 0 CBADLP CC1(C)C[N@@H+](CCNC(=O)[C@]2(F)CC[NH2+]C2)CCO1 ZINC000178745135 352082603 /nfs/dbraw/zinc/08/26/03/352082603.db2.gz HIYNMPWRYKQZMD-ZDUSSCGKSA-N 2 2 273.352 -0.085 20 0 CBADLP O=C([C@@H]1COCC[NH2+]1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178844476 352083838 /nfs/dbraw/zinc/08/38/38/352083838.db2.gz QOWHQDQRNFIVFM-OLZOCXBDSA-N 2 2 283.372 -0.845 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+]2)C[C@@H]1[NH+]1CCOCC1 ZINC000178861477 352084396 /nfs/dbraw/zinc/08/43/96/352084396.db2.gz AWQUWWKYXNQPTC-AGIUHOORSA-N 2 2 267.373 -0.083 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@H]2CSC[NH2+]2)C[C@@H]1[NH+]1CCOCC1 ZINC000178862292 352084840 /nfs/dbraw/zinc/08/48/40/352084840.db2.gz RXMAFQJRQJIFFX-WOPDTQHZSA-N 2 2 285.413 -0.172 20 0 CBADLP O=C1C[C@@H]([NH2+]CC2CC2)CN1CC[NH+]1CCOCC1 ZINC000178907071 352085979 /nfs/dbraw/zinc/08/59/79/352085979.db2.gz KCUMECHBEKKZIR-CYBMUJFWSA-N 2 2 267.373 -0.081 20 0 CBADLP C[C@@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)CCCO1 ZINC000180467837 352094409 /nfs/dbraw/zinc/09/44/09/352094409.db2.gz CIJABZMDDKFAIN-GFCCVEGCSA-N 2 2 255.362 -0.129 20 0 CBADLP C[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)CCCO1 ZINC000180467837 352094412 /nfs/dbraw/zinc/09/44/12/352094412.db2.gz CIJABZMDDKFAIN-GFCCVEGCSA-N 2 2 255.362 -0.129 20 0 CBADLP C[C@@H](O)[C@H]1CCCC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000180484541 352094649 /nfs/dbraw/zinc/09/46/49/352094649.db2.gz LZNSEQNNXUAMBW-CHWSQXEVSA-N 2 2 269.389 -0.004 20 0 CBADLP C[C@@H](O)[C@H]1CCCC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000180484541 352094650 /nfs/dbraw/zinc/09/46/50/352094650.db2.gz LZNSEQNNXUAMBW-CHWSQXEVSA-N 2 2 269.389 -0.004 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH+]2CCC(C)(CO)CC2)CC1 ZINC000186976115 352135169 /nfs/dbraw/zinc/13/51/69/352135169.db2.gz RKDCYPFTLNTHQR-UHFFFAOYSA-N 2 2 269.389 -0.145 20 0 CBADLP O=C1C[C@H]([NH2+][C@@H]2CCCOC2)CN1CC[NH+]1CCOCC1 ZINC000181039764 352097196 /nfs/dbraw/zinc/09/71/96/352097196.db2.gz IYDOANFALDGTPO-KGLIPLIRSA-N 2 2 297.399 -0.312 20 0 CBADLP COCC[C@H](C)[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181023349 352097379 /nfs/dbraw/zinc/09/73/79/352097379.db2.gz UOESLMYLVJYKIZ-KBPBESRZSA-N 2 2 299.415 -0.066 20 0 CBADLP O=C1C[C@@H]([NH2+][C@@H]2CCCOC2)CN1CC[NH+]1CCOCC1 ZINC000181039725 352097400 /nfs/dbraw/zinc/09/74/00/352097400.db2.gz IYDOANFALDGTPO-ZIAGYGMSSA-N 2 2 297.399 -0.312 20 0 CBADLP COC[C@@H](C)[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181026336 352097529 /nfs/dbraw/zinc/09/75/29/352097529.db2.gz QZQHGNKMRICMFX-CHWSQXEVSA-N 2 2 285.388 -0.456 20 0 CBADLP COCC[N@H+](C)CCC[NH2+][C@@H](C)CS(C)(=O)=O ZINC000182399808 352104150 /nfs/dbraw/zinc/10/41/50/352104150.db2.gz NJNUSTUNSCSYMH-NSHDSACASA-N 2 2 266.407 -0.023 20 0 CBADLP COCC[N@@H+](C)CCC[NH2+][C@@H](C)CS(C)(=O)=O ZINC000182399808 352104151 /nfs/dbraw/zinc/10/41/51/352104151.db2.gz NJNUSTUNSCSYMH-NSHDSACASA-N 2 2 266.407 -0.023 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188722757 352157483 /nfs/dbraw/zinc/15/74/83/352157483.db2.gz PGVFRCFTFGGWGD-GARJFASQSA-N 2 2 259.325 -0.477 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188881072 352160678 /nfs/dbraw/zinc/16/06/78/352160678.db2.gz HSKIBODTMJZCPV-WDEREUQCSA-N 2 2 259.325 -0.523 20 0 CBADLP COC[C@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)C[C@@H](C)O1 ZINC000189477119 352170918 /nfs/dbraw/zinc/17/09/18/352170918.db2.gz SRTUOOJQNNYQKV-CHWSQXEVSA-N 2 2 285.388 -0.504 20 0 CBADLP COC[C@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)C[C@@H](C)O1 ZINC000189477119 352170922 /nfs/dbraw/zinc/17/09/22/352170922.db2.gz SRTUOOJQNNYQKV-CHWSQXEVSA-N 2 2 285.388 -0.504 20 0 CBADLP CNS(=O)(=O)CC[NH2+]Cc1cccc2[nH+]ccn21 ZINC000190312824 352179944 /nfs/dbraw/zinc/17/99/44/352179944.db2.gz LFHOYFAATDIHLV-UHFFFAOYSA-N 2 2 268.342 -0.027 20 0 CBADLP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000187948622 352144115 /nfs/dbraw/zinc/14/41/15/352144115.db2.gz STKMIHCYTVUZQQ-QNWHQSFQSA-N 2 2 285.388 -0.411 20 0 CBADLP CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@H](C)[NH+]2CCOCC2)C1 ZINC000187907768 352144164 /nfs/dbraw/zinc/14/41/64/352144164.db2.gz CVHVZSQJKXYLDB-SDDRHHMPSA-N 2 2 271.361 -0.800 20 0 CBADLP C[C@@H]1CN(C(=O)[C@H]2C[NH2+]CCO2)C[C@H]1[NH+]1CCOCC1 ZINC000188269593 352149627 /nfs/dbraw/zinc/14/96/27/352149627.db2.gz CCUBOSBKJIFLRB-JHJVBQTASA-N 2 2 283.372 -0.846 20 0 CBADLP CC(C)OCC[NH+]1CCN(C(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000188227208 352149759 /nfs/dbraw/zinc/14/97/59/352149759.db2.gz XNTXDVPXCLRLQW-CYBMUJFWSA-N 2 2 285.388 -0.456 20 0 CBADLP COC[C@@H](C)C[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000188268679 352149907 /nfs/dbraw/zinc/14/99/07/352149907.db2.gz XTOSXBUGUSXILY-UONOGXRCSA-N 2 2 299.415 -0.208 20 0 CBADLP C[C@@H]([NH3+])CCC(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000193293905 352204235 /nfs/dbraw/zinc/20/42/35/352204235.db2.gz AKOUFPAVOJDSQM-VXGBXAGGSA-N 2 2 296.415 -0.075 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000195156229 352222324 /nfs/dbraw/zinc/22/23/24/352222324.db2.gz GSOIZCUXRNFQCH-VXGBXAGGSA-N 2 2 255.362 -0.177 20 0 CBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)[NH3+])CC1 ZINC000195147921 352222642 /nfs/dbraw/zinc/22/26/42/352222642.db2.gz YCVLXOGZELOLQQ-LBPRGKRZSA-N 2 2 284.404 -0.264 20 0 CBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@H](C)[NH3+])CC1 ZINC000195147921 352222648 /nfs/dbraw/zinc/22/26/48/352222648.db2.gz YCVLXOGZELOLQQ-LBPRGKRZSA-N 2 2 284.404 -0.264 20 0 CBADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227074748 352255736 /nfs/dbraw/zinc/25/57/36/352255736.db2.gz QWMBEDSOZUPLSP-LPEHRKFASA-N 2 2 256.350 -0.110 20 0 CBADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227074748 352255737 /nfs/dbraw/zinc/25/57/37/352255737.db2.gz QWMBEDSOZUPLSP-LPEHRKFASA-N 2 2 256.350 -0.110 20 0 CBADLP CO[C@H](C[NH3+])C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000227363168 352257040 /nfs/dbraw/zinc/25/70/40/352257040.db2.gz VTPGXUWLCYYDTD-CYBMUJFWSA-N 2 2 278.356 -0.301 20 0 CBADLP CN(C)C(=O)C[N@H+](C)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000227799633 352259144 /nfs/dbraw/zinc/25/91/44/352259144.db2.gz ONFAEBQXEKJAQU-KBPBESRZSA-N 2 2 279.384 -0.063 20 0 CBADLP CN(C)C(=O)C[N@@H+](C)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000227799633 352259147 /nfs/dbraw/zinc/25/91/47/352259147.db2.gz ONFAEBQXEKJAQU-KBPBESRZSA-N 2 2 279.384 -0.063 20 0 CBADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N2CCNC(=O)C2)[C@@H](C)C1 ZINC000245412499 352318903 /nfs/dbraw/zinc/31/89/03/352318903.db2.gz ARXRWVYODPCKKG-STQMWFEESA-N 2 2 296.415 -0.393 20 0 CBADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N2CCNC(=O)C2)[C@@H](C)C1 ZINC000245412499 352318905 /nfs/dbraw/zinc/31/89/05/352318905.db2.gz ARXRWVYODPCKKG-STQMWFEESA-N 2 2 296.415 -0.393 20 0 CBADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N2CCNC(=O)C2)[C@@H](C)C1 ZINC000245412499 352318908 /nfs/dbraw/zinc/31/89/08/352318908.db2.gz ARXRWVYODPCKKG-STQMWFEESA-N 2 2 296.415 -0.393 20 0 CBADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N2CCNC(=O)C2)[C@@H](C)C1 ZINC000245412499 352318910 /nfs/dbraw/zinc/31/89/10/352318910.db2.gz ARXRWVYODPCKKG-STQMWFEESA-N 2 2 296.415 -0.393 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CCO[C@@H]2C2CC2)CC1 ZINC000234380566 352282814 /nfs/dbraw/zinc/28/28/14/352282814.db2.gz PHORTMBMPSUAOJ-GXTWGEPZSA-N 2 2 267.373 -0.083 20 0 CBADLP COCCOC[C@@H](O)C[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000234739815 352284232 /nfs/dbraw/zinc/28/42/32/352284232.db2.gz RVXIUFRBAFSWPD-RYUDHWBXSA-N 2 2 257.334 -0.115 20 0 CBADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000236782189 352294308 /nfs/dbraw/zinc/29/43/08/352294308.db2.gz CUBYDUYZSCRGHU-OLZOCXBDSA-N 2 2 285.388 -0.552 20 0 CBADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000236782189 352294313 /nfs/dbraw/zinc/29/43/13/352294313.db2.gz CUBYDUYZSCRGHU-OLZOCXBDSA-N 2 2 285.388 -0.552 20 0 CBADLP C[C@H]([C@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1)[NH+]1CCOCC1 ZINC000245419255 352319588 /nfs/dbraw/zinc/31/95/88/352319588.db2.gz BJJLVOXDLLEHNQ-YNEHKIRRSA-N 2 2 285.388 -0.458 20 0 CBADLP CN(C)CC[NH+]1CCC(CNC(=O)[C@H]2COCC[NH2+]2)CC1 ZINC000237157028 352300417 /nfs/dbraw/zinc/30/04/17/352300417.db2.gz AVYFYQGEXQTRMW-CQSZACIVSA-N 2 2 298.431 -0.635 20 0 CBADLP C[NH+](C)CCN1CCC(CNC(=O)[C@H]2COCC[NH2+]2)CC1 ZINC000237157028 352300421 /nfs/dbraw/zinc/30/04/21/352300421.db2.gz AVYFYQGEXQTRMW-CQSZACIVSA-N 2 2 298.431 -0.635 20 0 CBADLP C[NH2+]CCCC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000237141653 352300838 /nfs/dbraw/zinc/30/08/38/352300838.db2.gz LTHHFIKRPKPKDX-LBPRGKRZSA-N 2 2 296.415 -0.203 20 0 CBADLP CSCC[C@H]([NH3+])C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000237319249 352303434 /nfs/dbraw/zinc/30/34/34/352303434.db2.gz GWWDLTPHKPVDGD-QWRGUYRKSA-N 2 2 275.418 -0.096 20 0 CBADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)[C@@H]1COCC[NH2+]1 ZINC000237441036 352305318 /nfs/dbraw/zinc/30/53/18/352305318.db2.gz DXRHMHXZFQXRHS-PWSUYJOCSA-N 2 2 266.345 -0.068 20 0 CBADLP C[C@H]([C@H](C)NC(=O)[C@H]1CSC[NH2+]1)[NH+]1CCOCC1 ZINC000237533795 352307001 /nfs/dbraw/zinc/30/70/01/352307001.db2.gz JMWFWENXBFOGLJ-HBNTYKKESA-N 2 2 273.402 -0.126 20 0 CBADLP O=C(NCCc1cn2ccccc2[nH+]1)[C@H]1COCC[NH2+]1 ZINC000237900557 352311037 /nfs/dbraw/zinc/31/10/37/352311037.db2.gz MYPXJKFTGKHMLX-GFCCVEGCSA-N 2 2 274.324 -0.019 20 0 CBADLP O=C(Cc1cn2ccccc2[nH+]1)NCCN1CC[NH2+]CC1 ZINC000238125541 352314120 /nfs/dbraw/zinc/31/41/20/352314120.db2.gz OWVRZLBPJOPEQH-UHFFFAOYSA-N 2 2 287.367 -0.102 20 0 CBADLP OC(C[NH+]1CCC[C@@H](O)C1)C[N@@H+]1CCC[C@@H](O)C1 ZINC000245888611 352326672 /nfs/dbraw/zinc/32/66/72/352326672.db2.gz BYBYNOZGNMRJCA-VXGBXAGGSA-N 2 2 258.362 -0.739 20 0 CBADLP OC(C[NH+]1CCC[C@@H](O)C1)C[N@H+]1CCC[C@@H](O)C1 ZINC000245888611 352326674 /nfs/dbraw/zinc/32/66/74/352326674.db2.gz BYBYNOZGNMRJCA-VXGBXAGGSA-N 2 2 258.362 -0.739 20 0 CBADLP COCC[N@@H+]1CCN(C(=O)[C@@]2(F)CC[NH2+]C2)C[C@@H]1C ZINC000246231739 352330435 /nfs/dbraw/zinc/33/04/35/352330435.db2.gz HVNXTIFVSOWTTI-WCQYABFASA-N 2 2 273.352 -0.133 20 0 CBADLP COCC[N@H+]1CCN(C(=O)[C@@]2(F)CC[NH2+]C2)C[C@@H]1C ZINC000246231739 352330441 /nfs/dbraw/zinc/33/04/41/352330441.db2.gz HVNXTIFVSOWTTI-WCQYABFASA-N 2 2 273.352 -0.133 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCO[C@@H](COC)C2)CC1 ZINC000246495113 352333542 /nfs/dbraw/zinc/33/35/42/352333542.db2.gz ATWXQTVQVMDFBN-ZIAGYGMSSA-N 2 2 299.415 -0.114 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCO[C@@H](COC)C2)CC1 ZINC000246495113 352333545 /nfs/dbraw/zinc/33/35/45/352333545.db2.gz ATWXQTVQVMDFBN-ZIAGYGMSSA-N 2 2 299.415 -0.114 20 0 CBADLP CC[C@@H]1CN(C(=O)[C@@H]2COCC[NH2+]2)CC[N@@H+]1C[C@H](C)O ZINC000246483548 352334231 /nfs/dbraw/zinc/33/42/31/352334231.db2.gz OUFVFNCKQUODFS-XQQFMLRXSA-N 2 2 285.388 -0.722 20 0 CBADLP CC[C@@H]1CN(C(=O)[C@@H]2COCC[NH2+]2)CC[N@H+]1C[C@H](C)O ZINC000246483548 352334234 /nfs/dbraw/zinc/33/42/34/352334234.db2.gz OUFVFNCKQUODFS-XQQFMLRXSA-N 2 2 285.388 -0.722 20 0 CBADLP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)N3CCNC(=O)C3)CC[C@H]21 ZINC000247936731 352349245 /nfs/dbraw/zinc/34/92/45/352349245.db2.gz CPHRRSSBMMGGIK-QWHCGFSZSA-N 2 2 294.399 -0.639 20 0 CBADLP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)N3CCNC(=O)C3)CC[C@H]21 ZINC000247936731 352349249 /nfs/dbraw/zinc/34/92/49/352349249.db2.gz CPHRRSSBMMGGIK-QWHCGFSZSA-N 2 2 294.399 -0.639 20 0 CBADLP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)N3CCNC(=O)C3)CC[C@H]21 ZINC000247936731 352349251 /nfs/dbraw/zinc/34/92/51/352349251.db2.gz CPHRRSSBMMGGIK-QWHCGFSZSA-N 2 2 294.399 -0.639 20 0 CBADLP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)N3CCNC(=O)C3)CC[C@H]21 ZINC000247936731 352349257 /nfs/dbraw/zinc/34/92/57/352349257.db2.gz CPHRRSSBMMGGIK-QWHCGFSZSA-N 2 2 294.399 -0.639 20 0 CBADLP C[C@H]1C[N@H+](CCN2CC[NH+](CCO)[C@@H](C)C2)CCO1 ZINC000249362511 352364786 /nfs/dbraw/zinc/36/47/86/352364786.db2.gz VAHZEVJHDRRLJH-KBPBESRZSA-N 2 2 271.405 -0.295 20 0 CBADLP C[C@H]1C[N@@H+](CCN2CC[NH+](CCO)[C@@H](C)C2)CCO1 ZINC000249362511 352364789 /nfs/dbraw/zinc/36/47/89/352364789.db2.gz VAHZEVJHDRRLJH-KBPBESRZSA-N 2 2 271.405 -0.295 20 0 CBADLP C[C@H]1C[NH+](CCN2CC[N@H+](CCO)[C@@H](C)C2)CCO1 ZINC000249362511 352364792 /nfs/dbraw/zinc/36/47/92/352364792.db2.gz VAHZEVJHDRRLJH-KBPBESRZSA-N 2 2 271.405 -0.295 20 0 CBADLP C[C@H]1C[NH+](CCN2CC[N@@H+](CCO)[C@@H](C)C2)CCO1 ZINC000249362511 352364793 /nfs/dbraw/zinc/36/47/93/352364793.db2.gz VAHZEVJHDRRLJH-KBPBESRZSA-N 2 2 271.405 -0.295 20 0 CBADLP CNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000250377375 352372359 /nfs/dbraw/zinc/37/23/59/352372359.db2.gz KWSRLDRASLZLEK-GHMZBOCLSA-N 2 2 268.361 -0.094 20 0 CBADLP CNC(=O)NC(=O)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000250377375 352372362 /nfs/dbraw/zinc/37/23/62/352372362.db2.gz KWSRLDRASLZLEK-GHMZBOCLSA-N 2 2 268.361 -0.094 20 0 CBADLP C[C@@H]1CN(C(=O)C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)C[C@@H](C)O1 ZINC000252453632 352377118 /nfs/dbraw/zinc/37/71/18/352377118.db2.gz PXRUZGBODGRMIC-NDBYEHHHSA-N 2 2 267.373 -0.227 20 0 CBADLP C[C@@H]1CN(C(=O)C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)C[C@H](C)O1 ZINC000252453633 352377645 /nfs/dbraw/zinc/37/76/45/352377645.db2.gz PXRUZGBODGRMIC-RNJOBUHISA-N 2 2 267.373 -0.227 20 0 CBADLP CCCNC(=O)NC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261598623 352391247 /nfs/dbraw/zinc/39/12/47/352391247.db2.gz PEKBHSPUPZQUMF-QWRGUYRKSA-N 2 2 268.361 -0.237 20 0 CBADLP CCCNC(=O)NC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261598623 352391249 /nfs/dbraw/zinc/39/12/49/352391249.db2.gz PEKBHSPUPZQUMF-QWRGUYRKSA-N 2 2 268.361 -0.237 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261682910 352393128 /nfs/dbraw/zinc/39/31/28/352393128.db2.gz MRIAIAPQWVRISU-HNNXBMFYSA-N 2 2 296.415 -0.344 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261682910 352393132 /nfs/dbraw/zinc/39/31/32/352393132.db2.gz MRIAIAPQWVRISU-HNNXBMFYSA-N 2 2 296.415 -0.344 20 0 CBADLP COCCNC(=O)CN1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000261725786 352394322 /nfs/dbraw/zinc/39/43/22/352394322.db2.gz GQZNGXPISSNIHN-OAHLLOKOSA-N 2 2 298.431 -0.634 20 0 CBADLP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261805483 352397105 /nfs/dbraw/zinc/39/71/05/352397105.db2.gz OJHWQLWIRLSSML-IAQYHMDHSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261805483 352397110 /nfs/dbraw/zinc/39/71/10/352397110.db2.gz OJHWQLWIRLSSML-IAQYHMDHSA-N 2 2 296.415 -0.217 20 0 CBADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000261833490 352397817 /nfs/dbraw/zinc/39/78/17/352397817.db2.gz YZVYNYRCIQWPDH-JTQLQIEISA-N 2 2 268.361 -0.854 20 0 CBADLP C[C@@H]([NH3+])C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000261856725 352398594 /nfs/dbraw/zinc/39/85/94/352398594.db2.gz PHEWKEXDBRRCTE-SNVBAGLBSA-N 2 2 264.329 -0.118 20 0 CBADLP CC[C@@H]1CN(C(=O)[C@@H]([NH3+])COC)C[C@@H]1[NH+]1CCOCC1 ZINC000262212746 352410172 /nfs/dbraw/zinc/41/01/72/352410172.db2.gz FBGKORFKOCMJJH-AGIUHOORSA-N 2 2 285.388 -0.471 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)C[C@@H]1[NH+]1CCOCC1 ZINC000262195217 352410367 /nfs/dbraw/zinc/41/03/67/352410367.db2.gz ZXICATWKZGQPPR-MQYQWHSLSA-N 2 2 297.399 -0.328 20 0 CBADLP COC[C@H]([NH3+])C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000262268349 352413054 /nfs/dbraw/zinc/41/30/54/352413054.db2.gz KBIVPMABWMPBNH-SRVKXCTJSA-N 2 2 271.361 -0.861 20 0 CBADLP C[NH2+]CCC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000262318655 352415100 /nfs/dbraw/zinc/41/51/00/352415100.db2.gz DXJJBUMLQKDQJD-ZDUSSCGKSA-N 2 2 287.429 -0.080 20 0 CBADLP C[C@H](C[NH3+])C(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000262336348 352416923 /nfs/dbraw/zinc/41/69/23/352416923.db2.gz HIPDZGTXBPYLHD-UTUOFQBUSA-N 2 2 255.362 -0.240 20 0 CBADLP COC[C@H]([NH3+])C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000262380067 352419004 /nfs/dbraw/zinc/41/90/04/352419004.db2.gz XSNSWKKBBYHVAD-MNOVXSKESA-N 2 2 264.329 -0.250 20 0 CBADLP COC[C@@H]([NH3+])C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000262380064 352419302 /nfs/dbraw/zinc/41/93/02/352419302.db2.gz XSNSWKKBBYHVAD-GHMZBOCLSA-N 2 2 264.329 -0.250 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1CC(F)(F)C[NH2+]1)N1CC[NH+](C)CC1 ZINC000263307441 352441968 /nfs/dbraw/zinc/44/19/68/352441968.db2.gz YAMHEAZRWNPDIU-WDEREUQCSA-N 2 2 290.358 -0.264 20 0 CBADLP O=C(NCCCNc1cccc[nH+]1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000262485713 352423651 /nfs/dbraw/zinc/42/36/51/352423651.db2.gz YRAIXBBYMZEDAJ-MNOVXSKESA-N 2 2 264.329 -0.277 20 0 CBADLP CC(C)[C@H](CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)[NH+]1CCOCC1 ZINC000262498298 352424447 /nfs/dbraw/zinc/42/44/47/352424447.db2.gz KIUKPOHAEKBEGI-UPJWGTAASA-N 2 2 285.388 -0.818 20 0 CBADLP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)C1C[NH2+]C1 ZINC000263290541 352442107 /nfs/dbraw/zinc/44/21/07/352442107.db2.gz LJDRXVPGDOTWDA-CYBMUJFWSA-N 2 2 285.413 -0.470 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1)N1CC[NH+](C)CC1 ZINC000263306928 352442115 /nfs/dbraw/zinc/44/21/15/352442115.db2.gz YAMHEAZRWNPDIU-MNOVXSKESA-N 2 2 290.358 -0.264 20 0 CBADLP C[C@@H]1CN(C(=O)C(C)(C)[NH3+])C[C@@H]1[NH+]1CCOCC1 ZINC000262661444 352430633 /nfs/dbraw/zinc/43/06/33/352430633.db2.gz YFHYPHBNEZNULH-MNOVXSKESA-N 2 2 255.362 -0.097 20 0 CBADLP CO[C@H](C[NH3+])CC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000262930959 352436641 /nfs/dbraw/zinc/43/66/41/352436641.db2.gz SRVUVLOGMNNTHB-TUAOUCFPSA-N 2 2 273.377 -0.424 20 0 CBADLP C[C@]1(CN2CC[NH+](CC(=O)NC3CC3)CC2)CC[NH2+]C1 ZINC000262059142 352405526 /nfs/dbraw/zinc/40/55/26/352405526.db2.gz QYTBZOJVHWNMCY-HNNXBMFYSA-N 2 2 280.416 -0.118 20 0 CBADLP C[C@]1(C[NH+]2CCN(CC(=O)NC3CC3)CC2)CC[NH2+]C1 ZINC000262059142 352405529 /nfs/dbraw/zinc/40/55/29/352405529.db2.gz QYTBZOJVHWNMCY-HNNXBMFYSA-N 2 2 280.416 -0.118 20 0 CBADLP Cc1cc(N2CC[NH2+][C@H](C(N)=O)C2)nc(C2CC2)[nH+]1 ZINC000265354127 352446691 /nfs/dbraw/zinc/44/66/91/352446691.db2.gz KULZTIMGYOQFGV-JTQLQIEISA-N 2 2 261.329 -0.074 20 0 CBADLP Cc1ccn2cc(CNC(=O)[C@@H]3C[C@H](O)C[NH2+]3)[nH+]c2c1 ZINC000269231947 352463730 /nfs/dbraw/zinc/46/37/30/352463730.db2.gz DOKVELGYVLDKRB-RYUDHWBXSA-N 2 2 274.324 -0.018 20 0 CBADLP COC(=O)CNC(=O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000269640052 352477423 /nfs/dbraw/zinc/47/74/23/352477423.db2.gz NQNUFLCMHPBXAP-JTQLQIEISA-N 2 2 280.328 -0.122 20 0 CBADLP COC(=O)CNC(=O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000269640052 352477427 /nfs/dbraw/zinc/47/74/27/352477427.db2.gz NQNUFLCMHPBXAP-JTQLQIEISA-N 2 2 280.328 -0.122 20 0 CBADLP COCC(=O)N1CC[NH+](CCn2cc[nH+]c2C)CC1 ZINC000270692601 352497651 /nfs/dbraw/zinc/49/76/51/352497651.db2.gz YBIKCYWDZNNPLR-UHFFFAOYSA-N 2 2 266.345 -0.018 20 0 CBADLP C[C@@H](O)C(=O)N1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000272045753 352512174 /nfs/dbraw/zinc/51/21/74/352512174.db2.gz PKJGKOXDEKVIHG-GFCCVEGCSA-N 2 2 266.345 -0.202 20 0 CBADLP C[NH+]1CCN(C(=O)CCNC(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000277736713 352573657 /nfs/dbraw/zinc/57/36/57/352573657.db2.gz QPMTZBXQBUXAPF-NSCUHMNNSA-N 2 2 291.355 -0.297 20 0 CBADLP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NCc1[nH+]ccn1C ZINC000286789873 352649878 /nfs/dbraw/zinc/64/98/78/352649878.db2.gz JPJDZMVRJCQMON-UHFFFAOYSA-N 2 2 293.371 -0.411 20 0 CBADLP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)NCc1[nH+]ccn1C ZINC000286789873 352649883 /nfs/dbraw/zinc/64/98/83/352649883.db2.gz JPJDZMVRJCQMON-UHFFFAOYSA-N 2 2 293.371 -0.411 20 0 CBADLP Cn1cc[nH+]c1CNC(=O)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000286912473 352650604 /nfs/dbraw/zinc/65/06/04/352650604.db2.gz PPHTXLSMCVECKN-LLVKDONJSA-N 2 2 291.355 -0.657 20 0 CBADLP CC[N@H+](CCNC(=O)C(=O)NCCn1cc[nH+]c1)C1CC1 ZINC000283951893 352632725 /nfs/dbraw/zinc/63/27/25/352632725.db2.gz MXQCUPKXUCXMNT-UHFFFAOYSA-N 2 2 293.371 -0.400 20 0 CBADLP CC[N@@H+](CCNC(=O)C(=O)NCCn1cc[nH+]c1)C1CC1 ZINC000283951893 352632730 /nfs/dbraw/zinc/63/27/30/352632730.db2.gz MXQCUPKXUCXMNT-UHFFFAOYSA-N 2 2 293.371 -0.400 20 0 CBADLP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCCn1cc[nH+]c1 ZINC000284140961 352635780 /nfs/dbraw/zinc/63/57/80/352635780.db2.gz XHWZSPCGHIDEEB-LLVKDONJSA-N 2 2 281.360 -0.544 20 0 CBADLP Cc1cc(N2CCN(C(=O)C[NH+](C)C)CC2)nc[nH+]1 ZINC000301236601 352735563 /nfs/dbraw/zinc/73/55/63/352735563.db2.gz KKPZGDODDKWMNC-UHFFFAOYSA-N 2 2 263.345 -0.005 20 0 CBADLP NC(=O)c1c[nH+]ccc1N1CC[NH+](CCCO)CC1 ZINC000302226555 352738610 /nfs/dbraw/zinc/73/86/10/352738610.db2.gz PPYSSHDZFLCAPQ-UHFFFAOYSA-N 2 2 264.329 -0.315 20 0 CBADLP CC[N@@H+]1CCCN(C[C@H](O)C[NH+]2CCOCC2)CC1 ZINC000303990160 352745570 /nfs/dbraw/zinc/74/55/70/352745570.db2.gz YKMSIJXXBSHPGG-AWEZNQCLSA-N 2 2 271.405 -0.293 20 0 CBADLP CC[N@H+]1CCCN(C[C@H](O)C[NH+]2CCOCC2)CC1 ZINC000303990160 352745571 /nfs/dbraw/zinc/74/55/71/352745571.db2.gz YKMSIJXXBSHPGG-AWEZNQCLSA-N 2 2 271.405 -0.293 20 0 CBADLP CN(C)S(=O)(=O)CC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000310341433 352759254 /nfs/dbraw/zinc/75/92/54/352759254.db2.gz OBZXDPFBXPSQFZ-WDEREUQCSA-N 2 2 261.391 -0.438 20 0 CBADLP CN(C)S(=O)(=O)CC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000310341433 352759257 /nfs/dbraw/zinc/75/92/57/352759257.db2.gz OBZXDPFBXPSQFZ-WDEREUQCSA-N 2 2 261.391 -0.438 20 0 CBADLP COC[C@@]1(C(=O)NCc2[nH+]ccn2C)CC[NH2+]C1 ZINC000310848737 352762346 /nfs/dbraw/zinc/76/23/46/352762346.db2.gz OCDXZMUFXNUSPM-GFCCVEGCSA-N 2 2 252.318 -0.338 20 0 CBADLP C[C@@H]1[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)CCS1(=O)=O ZINC000310917808 352763443 /nfs/dbraw/zinc/76/34/43/352763443.db2.gz ZPERFZQJEBYQLG-YUSALJHKSA-N 2 2 276.402 -0.393 20 0 CBADLP C[C@@H]1[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)CCS1(=O)=O ZINC000310917808 352763445 /nfs/dbraw/zinc/76/34/45/352763445.db2.gz ZPERFZQJEBYQLG-YUSALJHKSA-N 2 2 276.402 -0.393 20 0 CBADLP CCNC(=O)C(C)(C)[NH2+]C[C@H](O)C[N@H+](C)CCOC ZINC000313066179 352776900 /nfs/dbraw/zinc/77/69/00/352776900.db2.gz XHUHVTSUAWSAOH-NSHDSACASA-N 2 2 275.393 -0.570 20 0 CBADLP CCNC(=O)C(C)(C)[NH2+]C[C@H](O)C[N@@H+](C)CCOC ZINC000313066179 352776901 /nfs/dbraw/zinc/77/69/01/352776901.db2.gz XHUHVTSUAWSAOH-NSHDSACASA-N 2 2 275.393 -0.570 20 0 CBADLP C[N@H+](C[C@@H](O)C[NH2+][C@H]1CCCS(=O)(=O)C1)C1CC1 ZINC000311206937 352767511 /nfs/dbraw/zinc/76/75/11/352767511.db2.gz JSGOOVJUZNNGCI-JQWIXIFHSA-N 2 2 276.402 -0.392 20 0 CBADLP C[N@@H+](C[C@@H](O)C[NH2+][C@H]1CCCS(=O)(=O)C1)C1CC1 ZINC000311206937 352767512 /nfs/dbraw/zinc/76/75/12/352767512.db2.gz JSGOOVJUZNNGCI-JQWIXIFHSA-N 2 2 276.402 -0.392 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](NC(C)=O)C1 ZINC000311648053 352769091 /nfs/dbraw/zinc/76/90/91/352769091.db2.gz CLOISAVKVFRLBO-STQMWFEESA-N 2 2 273.377 -0.864 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](NC(C)=O)C1 ZINC000311648053 352769093 /nfs/dbraw/zinc/76/90/93/352769093.db2.gz CLOISAVKVFRLBO-STQMWFEESA-N 2 2 273.377 -0.864 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](NC(C)=O)C1 ZINC000311648053 352769095 /nfs/dbraw/zinc/76/90/95/352769095.db2.gz CLOISAVKVFRLBO-STQMWFEESA-N 2 2 273.377 -0.864 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](NC(C)=O)C1 ZINC000311648053 352769098 /nfs/dbraw/zinc/76/90/98/352769098.db2.gz CLOISAVKVFRLBO-STQMWFEESA-N 2 2 273.377 -0.864 20 0 CBADLP O=C(C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1)NC[C@@H]1CCCO1 ZINC000311832493 352771245 /nfs/dbraw/zinc/77/12/45/352771245.db2.gz LTYROYXDYNIDCF-GXTWGEPZSA-N 2 2 267.373 -0.033 20 0 CBADLP O=C(C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)NC[C@@H]1CCCO1 ZINC000311832493 352771246 /nfs/dbraw/zinc/77/12/46/352771246.db2.gz LTYROYXDYNIDCF-GXTWGEPZSA-N 2 2 267.373 -0.033 20 0 CBADLP CN1C(=O)CC[C@H]([NH2+]C[C@H](O)C[N@H+](C)C2CC2)C1=O ZINC000311919240 352772490 /nfs/dbraw/zinc/77/24/90/352772490.db2.gz DOXIGDHBPIXGHJ-QWRGUYRKSA-N 2 2 269.345 -0.822 20 0 CBADLP CN1C(=O)CC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)C1=O ZINC000311919240 352772493 /nfs/dbraw/zinc/77/24/93/352772493.db2.gz DOXIGDHBPIXGHJ-QWRGUYRKSA-N 2 2 269.345 -0.822 20 0 CBADLP C[N@@H+](CC(=O)NC(=O)NC1CCCCC1)C[C@@H](O)C[NH3+] ZINC000313187376 352777359 /nfs/dbraw/zinc/77/73/59/352777359.db2.gz LHTUNGKWYTVRCC-NSHDSACASA-N 2 2 286.376 -0.604 20 0 CBADLP C[N@H+](CC(=O)NC(=O)NC1CCCCC1)C[C@@H](O)C[NH3+] ZINC000313187376 352777362 /nfs/dbraw/zinc/77/73/62/352777362.db2.gz LHTUNGKWYTVRCC-NSHDSACASA-N 2 2 286.376 -0.604 20 0 CBADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2C[C@@H](F)C[C@H]2CO)CC1 ZINC000330576077 352851053 /nfs/dbraw/zinc/85/10/53/352851053.db2.gz RAPFFYVOKXMGTA-AAEUAGOBSA-N 2 2 287.379 -0.008 20 0 CBADLP CC[NH+]1CCC(NC(=O)C[N@H+]2C[C@@H](F)C[C@H]2CO)CC1 ZINC000330576077 352851055 /nfs/dbraw/zinc/85/10/55/352851055.db2.gz RAPFFYVOKXMGTA-AAEUAGOBSA-N 2 2 287.379 -0.008 20 0 CBADLP COC(=O)[C@](C)(O)C[NH+]1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000330862022 352854832 /nfs/dbraw/zinc/85/48/32/352854832.db2.gz XDHXBAGXTVEIML-CQSZACIVSA-N 2 2 294.355 -0.169 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)[N@H+](C)C1 ZINC000330557984 352847543 /nfs/dbraw/zinc/84/75/43/352847543.db2.gz WVKZPDCQPUTOGG-XUXIUFHCSA-N 2 2 299.415 -0.069 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)[N@@H+](C)C1 ZINC000330557984 352847547 /nfs/dbraw/zinc/84/75/47/352847547.db2.gz WVKZPDCQPUTOGG-XUXIUFHCSA-N 2 2 299.415 -0.069 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCC[C@@H]2CCO)CC1 ZINC000330556046 352847926 /nfs/dbraw/zinc/84/79/26/352847926.db2.gz FNEUKFVGLCRZIW-CHWSQXEVSA-N 2 2 269.389 -0.099 20 0 CBADLP C[C@H](CNC(=O)N(C)C1CC([NH3+])C1)[NH+]1CCOCC1 ZINC000331388437 352910905 /nfs/dbraw/zinc/91/09/05/352910905.db2.gz CFUDZRKFOKLWGR-VOMCLLRMSA-N 2 2 270.377 -0.162 20 0 CBADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000331519025 352921170 /nfs/dbraw/zinc/92/11/70/352921170.db2.gz CJYUXEWUVZPTCL-GWCFXTLKSA-N 2 2 268.361 -0.013 20 0 CBADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000331519025 352921172 /nfs/dbraw/zinc/92/11/72/352921172.db2.gz CJYUXEWUVZPTCL-GWCFXTLKSA-N 2 2 268.361 -0.013 20 0 CBADLP C[C@@H](C(=O)NC(N)=O)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000331519025 352921175 /nfs/dbraw/zinc/92/11/75/352921175.db2.gz CJYUXEWUVZPTCL-GWCFXTLKSA-N 2 2 268.361 -0.013 20 0 CBADLP C[C@@H](C(=O)NC(N)=O)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000331519025 352921176 /nfs/dbraw/zinc/92/11/76/352921176.db2.gz CJYUXEWUVZPTCL-GWCFXTLKSA-N 2 2 268.361 -0.013 20 0 CBADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000331519031 352921773 /nfs/dbraw/zinc/92/17/73/352921773.db2.gz CJYUXEWUVZPTCL-GXFFZTMASA-N 2 2 268.361 -0.013 20 0 CBADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000331519031 352921776 /nfs/dbraw/zinc/92/17/76/352921776.db2.gz CJYUXEWUVZPTCL-GXFFZTMASA-N 2 2 268.361 -0.013 20 0 CBADLP C[C@@H](C(=O)NC(N)=O)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000331519031 352921779 /nfs/dbraw/zinc/92/17/79/352921779.db2.gz CJYUXEWUVZPTCL-GXFFZTMASA-N 2 2 268.361 -0.013 20 0 CBADLP C[C@@H](C(=O)NC(N)=O)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000331519031 352921780 /nfs/dbraw/zinc/92/17/80/352921780.db2.gz CJYUXEWUVZPTCL-GXFFZTMASA-N 2 2 268.361 -0.013 20 0 CBADLP COC[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)[C@@H]1CCCO1 ZINC000331252615 352896394 /nfs/dbraw/zinc/89/63/94/352896394.db2.gz UPFRJSKQQNAQNQ-OLZOCXBDSA-N 2 2 285.388 -0.456 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000332628244 352970151 /nfs/dbraw/zinc/97/01/51/352970151.db2.gz YJCBOFSMDQSISR-KGLIPLIRSA-N 2 2 299.415 -0.208 20 0 CBADLP C[C@H](CNC(=O)[C@@H](C)C[NH+]1CCOCC1)[NH+]1CCOCC1 ZINC000332626694 352970818 /nfs/dbraw/zinc/97/08/18/352970818.db2.gz PVIPOAVKYFBPHR-UONOGXRCSA-N 2 2 299.415 -0.208 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC000332265982 352941029 /nfs/dbraw/zinc/94/10/29/352941029.db2.gz WANCYGBLDYVOSO-STQMWFEESA-N 2 2 294.399 -0.782 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCOC[C@H](O)C2)CC1 ZINC000332281156 352942130 /nfs/dbraw/zinc/94/21/30/352942130.db2.gz GAHLFLJUPGPZDY-QWHCGFSZSA-N 2 2 285.388 -0.768 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCOC[C@H](O)C2)CC1 ZINC000332281156 352942133 /nfs/dbraw/zinc/94/21/33/352942133.db2.gz GAHLFLJUPGPZDY-QWHCGFSZSA-N 2 2 285.388 -0.768 20 0 CBADLP CC[N@@H+]1CC[C@H](NC(=O)NCC[NH+]2CCOCC2)C1 ZINC000334017899 353017317 /nfs/dbraw/zinc/01/73/17/353017317.db2.gz BVIFJLQYUZJCNL-LBPRGKRZSA-N 2 2 270.377 -0.288 20 0 CBADLP CC[N@H+]1CC[C@H](NC(=O)NCC[NH+]2CCOCC2)C1 ZINC000334017899 353017320 /nfs/dbraw/zinc/01/73/20/353017320.db2.gz BVIFJLQYUZJCNL-LBPRGKRZSA-N 2 2 270.377 -0.288 20 0 CBADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000333585354 353004398 /nfs/dbraw/zinc/00/43/98/353004398.db2.gz OAOIZCAPOJKHCX-UTUOFQBUSA-N 2 2 270.377 -0.386 20 0 CBADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000333585354 353004401 /nfs/dbraw/zinc/00/44/01/353004401.db2.gz OAOIZCAPOJKHCX-UTUOFQBUSA-N 2 2 270.377 -0.386 20 0 CBADLP C[N@H+](C[C@H](O)CN1C[C@H]2OCC[NH+](C)[C@H]2C1)C1CC1 ZINC000336809524 353058092 /nfs/dbraw/zinc/05/80/92/353058092.db2.gz FSLCDAPPNKCHSX-MELADBBJSA-N 2 2 269.389 -0.544 20 0 CBADLP C[N@@H+](C[C@H](O)CN1C[C@H]2OCC[NH+](C)[C@H]2C1)C1CC1 ZINC000336809524 353058094 /nfs/dbraw/zinc/05/80/94/353058094.db2.gz FSLCDAPPNKCHSX-MELADBBJSA-N 2 2 269.389 -0.544 20 0 CBADLP C[NH+](C[C@H](O)CN1C[C@H]2OCC[N@H+](C)[C@H]2C1)C1CC1 ZINC000336809524 353058098 /nfs/dbraw/zinc/05/80/98/353058098.db2.gz FSLCDAPPNKCHSX-MELADBBJSA-N 2 2 269.389 -0.544 20 0 CBADLP C[NH+](C[C@H](O)CN1C[C@H]2OCC[N@@H+](C)[C@H]2C1)C1CC1 ZINC000336809524 353058101 /nfs/dbraw/zinc/05/81/01/353058101.db2.gz FSLCDAPPNKCHSX-MELADBBJSA-N 2 2 269.389 -0.544 20 0 CBADLP C[N@H+](C[C@H](O)C[NH+]1CCC[C@@H]1CS(N)(=O)=O)C1CC1 ZINC000336811059 353058538 /nfs/dbraw/zinc/05/85/38/353058538.db2.gz KXSGPHVWMPOUCH-NEPJUHHUSA-N 2 2 291.417 -0.806 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@@H]1CS(N)(=O)=O)C1CC1 ZINC000336811059 353058540 /nfs/dbraw/zinc/05/85/40/353058540.db2.gz KXSGPHVWMPOUCH-NEPJUHHUSA-N 2 2 291.417 -0.806 20 0 CBADLP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@@H]1CS(N)(=O)=O)C1CC1 ZINC000336811059 353058542 /nfs/dbraw/zinc/05/85/42/353058542.db2.gz KXSGPHVWMPOUCH-NEPJUHHUSA-N 2 2 291.417 -0.806 20 0 CBADLP C[NH+](C[C@H](O)C[N@H+]1CCC[C@@H]1CS(N)(=O)=O)C1CC1 ZINC000336811059 353058543 /nfs/dbraw/zinc/05/85/43/353058543.db2.gz KXSGPHVWMPOUCH-NEPJUHHUSA-N 2 2 291.417 -0.806 20 0 CBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C[C@@H]1CCC[N@@H+]1C ZINC000336816816 353059223 /nfs/dbraw/zinc/05/92/23/353059223.db2.gz NMSGOELLYJCGNA-KBPBESRZSA-N 2 2 271.405 -0.295 20 0 CBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C[C@@H]1CCC[N@H+]1C ZINC000336816816 353059225 /nfs/dbraw/zinc/05/92/25/353059225.db2.gz NMSGOELLYJCGNA-KBPBESRZSA-N 2 2 271.405 -0.295 20 0 CBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C[C@@H]1CCC[N@@H+]1C ZINC000336816818 353059435 /nfs/dbraw/zinc/05/94/35/353059435.db2.gz NMSGOELLYJCGNA-UONOGXRCSA-N 2 2 271.405 -0.295 20 0 CBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C[C@@H]1CCC[N@H+]1C ZINC000336816818 353059437 /nfs/dbraw/zinc/05/94/37/353059437.db2.gz NMSGOELLYJCGNA-UONOGXRCSA-N 2 2 271.405 -0.295 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](O)C(C)(C)C2)CC1 ZINC000336814373 353059473 /nfs/dbraw/zinc/05/94/73/353059473.db2.gz WYZXOUTWIOYFIN-GFCCVEGCSA-N 2 2 269.389 -0.147 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](O)C(C)(C)C2)CC1 ZINC000336814373 353059476 /nfs/dbraw/zinc/05/94/76/353059476.db2.gz WYZXOUTWIOYFIN-GFCCVEGCSA-N 2 2 269.389 -0.147 20 0 CBADLP CN(C)S(=O)(=O)CC[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000336710417 353048471 /nfs/dbraw/zinc/04/84/71/353048471.db2.gz OWPFPTHENZUBDP-NSHDSACASA-N 2 2 263.407 -0.239 20 0 CBADLP CN(C)S(=O)(=O)CC[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000336710417 353048474 /nfs/dbraw/zinc/04/84/74/353048474.db2.gz OWPFPTHENZUBDP-NSHDSACASA-N 2 2 263.407 -0.239 20 0 CBADLP C[C@H]1C[N@H+](C)CCN1C[C@@H](O)C[NH+]1CCOCC1 ZINC000336733401 353050398 /nfs/dbraw/zinc/05/03/98/353050398.db2.gz UDHCOGPFHIEYDA-STQMWFEESA-N 2 2 257.378 -0.685 20 0 CBADLP C[C@H]1C[N@@H+](C)CCN1C[C@@H](O)C[NH+]1CCOCC1 ZINC000336733401 353050399 /nfs/dbraw/zinc/05/03/99/353050399.db2.gz UDHCOGPFHIEYDA-STQMWFEESA-N 2 2 257.378 -0.685 20 0 CBADLP CC[C@@H](C)[N@H+](CCO)CC(=O)N1CC[NH+](C)CC1 ZINC000336793858 353054410 /nfs/dbraw/zinc/05/44/10/353054410.db2.gz YRSUMIJXQXSDSY-GFCCVEGCSA-N 2 2 257.378 -0.147 20 0 CBADLP CC[C@@H](C)[N@@H+](CCO)CC(=O)N1CC[NH+](C)CC1 ZINC000336793858 353054412 /nfs/dbraw/zinc/05/44/12/353054412.db2.gz YRSUMIJXQXSDSY-GFCCVEGCSA-N 2 2 257.378 -0.147 20 0 CBADLP O=C1NCCC[C@H]1[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000336803636 353056002 /nfs/dbraw/zinc/05/60/02/353056002.db2.gz ZCWGRDXEFZMTCK-QWHCGFSZSA-N 2 2 267.373 -0.081 20 0 CBADLP O=C1NCCC[C@H]1[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000336803636 353056005 /nfs/dbraw/zinc/05/60/05/353056005.db2.gz ZCWGRDXEFZMTCK-QWHCGFSZSA-N 2 2 267.373 -0.081 20 0 CBADLP CCCCNC(=O)C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000336809462 353056804 /nfs/dbraw/zinc/05/68/04/353056804.db2.gz FNHRTRQNSKIEDT-CYBMUJFWSA-N 2 2 268.405 -0.118 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)CCOCCO)CC1 ZINC000337430855 353081859 /nfs/dbraw/zinc/08/18/59/353081859.db2.gz FVLGPISHIQSYHR-ZDUSSCGKSA-N 2 2 287.404 -0.520 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)CCOCCO)CC1 ZINC000337430855 353081863 /nfs/dbraw/zinc/08/18/63/353081863.db2.gz FVLGPISHIQSYHR-ZDUSSCGKSA-N 2 2 287.404 -0.520 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000338182583 353088611 /nfs/dbraw/zinc/08/86/11/353088611.db2.gz NRONCLNZINHRRA-IJLUTSLNSA-N 2 2 275.418 -0.192 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000338182583 353088615 /nfs/dbraw/zinc/08/86/15/353088615.db2.gz NRONCLNZINHRRA-IJLUTSLNSA-N 2 2 275.418 -0.192 20 0 CBADLP CC(=O)N1CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000338272405 353092226 /nfs/dbraw/zinc/09/22/26/353092226.db2.gz BARHXVLDBSGENA-CYBMUJFWSA-N 2 2 296.415 -0.297 20 0 CBADLP CC(=O)N1CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000338272405 353092228 /nfs/dbraw/zinc/09/22/28/353092228.db2.gz BARHXVLDBSGENA-CYBMUJFWSA-N 2 2 296.415 -0.297 20 0 CBADLP C[C@@H]1C(=O)N(C)CC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338322642 353095267 /nfs/dbraw/zinc/09/52/67/353095267.db2.gz QUDZDVLCCNAFSI-GFCCVEGCSA-N 2 2 282.388 -0.687 20 0 CBADLP C[C@@H]1C(=O)N(C)CC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338322642 353095271 /nfs/dbraw/zinc/09/52/71/353095271.db2.gz QUDZDVLCCNAFSI-GFCCVEGCSA-N 2 2 282.388 -0.687 20 0 CBADLP C[C@@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)CC[S@]1=O ZINC000338322394 353095530 /nfs/dbraw/zinc/09/55/30/353095530.db2.gz YXPGNBGRHICDKW-CWTRNNRKSA-N 2 2 287.429 -0.397 20 0 CBADLP C[C@@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)CC[S@]1=O ZINC000338322394 353095534 /nfs/dbraw/zinc/09/55/34/353095534.db2.gz YXPGNBGRHICDKW-CWTRNNRKSA-N 2 2 287.429 -0.397 20 0 CBADLP C[N@H+](CCn1cc[nH+]c1)CC(=O)N1CCOCC1 ZINC000152651022 188034683 /nfs/dbraw/zinc/03/46/83/188034683.db2.gz JJDKOEKMFQNPQD-UHFFFAOYSA-N 2 2 252.318 -0.326 20 0 CBADLP C[N@@H+](CCn1cc[nH+]c1)CC(=O)N1CCOCC1 ZINC000152651022 188034684 /nfs/dbraw/zinc/03/46/84/188034684.db2.gz JJDKOEKMFQNPQD-UHFFFAOYSA-N 2 2 252.318 -0.326 20 0 CBADLP CNC(=O)NCC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000341367353 353210890 /nfs/dbraw/zinc/21/08/90/353210890.db2.gz ODYUBVIRIRYZSZ-UHFFFAOYSA-N 2 2 285.392 -0.942 20 0 CBADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000342256116 353221240 /nfs/dbraw/zinc/22/12/40/353221240.db2.gz DNJYFODGWQPODY-MGPQQGTHSA-N 2 2 297.399 -0.361 20 0 CBADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000342256116 353221241 /nfs/dbraw/zinc/22/12/41/353221241.db2.gz DNJYFODGWQPODY-MGPQQGTHSA-N 2 2 297.399 -0.361 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000342715073 353229287 /nfs/dbraw/zinc/22/92/87/353229287.db2.gz UPTLHZUXUQAQNY-ZDUSSCGKSA-N 2 2 282.388 -0.734 20 0 CBADLP CC[NH+](CC)CCCNC(=O)C(=O)NCc1[nH+]ccn1C ZINC000342966393 353243320 /nfs/dbraw/zinc/24/33/20/353243320.db2.gz QRLRRTMKWFNAFE-UHFFFAOYSA-N 2 2 295.387 -0.116 20 0 CBADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@H]1CC[NH2+]CC1(F)F ZINC000343493130 353275526 /nfs/dbraw/zinc/27/55/26/353275526.db2.gz AYRQNNSOVAWWSC-GHMZBOCLSA-N 2 2 290.358 -0.407 20 0 CBADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@H]1CC[NH2+]CC1(F)F ZINC000343493130 353275530 /nfs/dbraw/zinc/27/55/30/353275530.db2.gz AYRQNNSOVAWWSC-GHMZBOCLSA-N 2 2 290.358 -0.407 20 0 CBADLP CN1CC[N@H+](C)[C@@H](CNC(=O)NCC2=CC[NH+](C)CC2)C1 ZINC000343694443 353285396 /nfs/dbraw/zinc/28/53/96/353285396.db2.gz NZDUGTQWFOLESF-AWEZNQCLSA-N 2 2 295.431 -0.207 20 0 CBADLP CN1CC[N@@H+](C)[C@@H](CNC(=O)NCC2=CC[NH+](C)CC2)C1 ZINC000343694443 353285399 /nfs/dbraw/zinc/28/53/99/353285399.db2.gz NZDUGTQWFOLESF-AWEZNQCLSA-N 2 2 295.431 -0.207 20 0 CBADLP CN1CC[NH+](C)[C@@H](CNC(=O)NCC2=CC[N@H+](C)CC2)C1 ZINC000343694443 353285401 /nfs/dbraw/zinc/28/54/01/353285401.db2.gz NZDUGTQWFOLESF-AWEZNQCLSA-N 2 2 295.431 -0.207 20 0 CBADLP CN1CC[NH+](C)[C@@H](CNC(=O)NCC2=CC[N@@H+](C)CC2)C1 ZINC000343694443 353285403 /nfs/dbraw/zinc/28/54/03/353285403.db2.gz NZDUGTQWFOLESF-AWEZNQCLSA-N 2 2 295.431 -0.207 20 0 CBADLP O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)[C@H]1CCC[NH2+]C1 ZINC000343898831 353297261 /nfs/dbraw/zinc/29/72/61/353297261.db2.gz YMEYYFLAIVAPMB-AAEUAGOBSA-N 2 2 267.373 -0.035 20 0 CBADLP O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)[C@H]1CCC[NH2+]C1 ZINC000343898831 353297263 /nfs/dbraw/zinc/29/72/63/353297263.db2.gz YMEYYFLAIVAPMB-AAEUAGOBSA-N 2 2 267.373 -0.035 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH+]2CCC(C)(O)CC2)CC1 ZINC000160856694 282893778 /nfs/dbraw/zinc/89/37/78/282893778.db2.gz WOGCPVMWUMXGFR-UHFFFAOYSA-N 2 2 255.362 -0.393 20 0 CBADLP C[C@H](CNC(=O)[C@H]1[NH2+]CCO[C@H]1C)C[NH+]1CCN(C)CC1 ZINC000344348735 353304445 /nfs/dbraw/zinc/30/44/45/353304445.db2.gz QNOGYIHAOJMETA-RDBSUJKOSA-N 2 2 298.431 -0.637 20 0 CBADLP C[C@H](CNC(=O)[C@H]1[NH2+]CCO[C@H]1C)CN1CC[NH+](C)CC1 ZINC000344348735 353304449 /nfs/dbraw/zinc/30/44/49/353304449.db2.gz QNOGYIHAOJMETA-RDBSUJKOSA-N 2 2 298.431 -0.637 20 0 CBADLP C[C@@H](C(=O)N1CC([NH+](C)C)C1)[NH+]1CCN(C)CC1 ZINC000345291657 353321180 /nfs/dbraw/zinc/32/11/80/353321180.db2.gz BWUPAWDGHXQSSE-NSHDSACASA-N 2 2 254.378 -0.605 20 0 CBADLP CC[NH+]1CCN(CC(=O)N2CC[N@H+](C)C[C@H]2C)CC1 ZINC000345341144 353325152 /nfs/dbraw/zinc/32/51/52/353325152.db2.gz LONYLPPQYWGPTQ-CYBMUJFWSA-N 2 2 268.405 -0.214 20 0 CBADLP CC[NH+]1CCN(CC(=O)N2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000345341144 353325156 /nfs/dbraw/zinc/32/51/56/353325156.db2.gz LONYLPPQYWGPTQ-CYBMUJFWSA-N 2 2 268.405 -0.214 20 0 CBADLP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000346167230 353364686 /nfs/dbraw/zinc/36/46/86/353364686.db2.gz XJZNVABJCXIUPH-KBPBESRZSA-N 2 2 299.415 -0.068 20 0 CBADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000346167230 353364689 /nfs/dbraw/zinc/36/46/89/353364689.db2.gz XJZNVABJCXIUPH-KBPBESRZSA-N 2 2 299.415 -0.068 20 0 CBADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](C)[NH+]2CCOCC2)C1 ZINC000346213198 353366481 /nfs/dbraw/zinc/36/64/81/353366481.db2.gz ZGCVXNLCLORRKG-ZIAGYGMSSA-N 2 2 299.415 -0.068 20 0 CBADLP CC(C)[N@H+]1CCO[C@@H](C(=O)NC[C@@H](C)[NH+]2CCOCC2)C1 ZINC000346213198 353366483 /nfs/dbraw/zinc/36/64/83/353366483.db2.gz ZGCVXNLCLORRKG-ZIAGYGMSSA-N 2 2 299.415 -0.068 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@@H]([NH3+])CC(F)F)CC1 ZINC000345721809 353345381 /nfs/dbraw/zinc/34/53/81/353345381.db2.gz VXDUNDXVNWORLY-VIFPVBQESA-N 2 2 265.304 -0.241 20 0 CBADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@H](C(N)=O)O[C@@H](C)C1 ZINC000346280548 353369353 /nfs/dbraw/zinc/36/93/53/353369353.db2.gz SISXKDPUZYAGDM-GXSJLCMTSA-N 2 2 252.318 -0.234 20 0 CBADLP Cc1[nH+]ccn1CC[N@H+]1C[C@H](C(N)=O)O[C@@H](C)C1 ZINC000346280548 353369356 /nfs/dbraw/zinc/36/93/56/353369356.db2.gz SISXKDPUZYAGDM-GXSJLCMTSA-N 2 2 252.318 -0.234 20 0 CBADLP C[NH+](C)Cc1cnc(C[N@H+]2C[C@@H](O)[C@@H](O)C2)s1 ZINC000348403297 353422182 /nfs/dbraw/zinc/42/21/82/353422182.db2.gz DLPRAEVULDLFEO-AOOOYVTPSA-N 2 2 257.359 -0.258 20 0 CBADLP C[NH+](C)Cc1cnc(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)s1 ZINC000348403297 353422184 /nfs/dbraw/zinc/42/21/84/353422184.db2.gz DLPRAEVULDLFEO-AOOOYVTPSA-N 2 2 257.359 -0.258 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[NH+](C)CC1 ZINC000347721103 353398923 /nfs/dbraw/zinc/39/89/23/353398923.db2.gz JJFXIXVVOJZCCH-GFCCVEGCSA-N 2 2 255.362 -0.271 20 0 CBADLP COC(=O)[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000348192402 353414377 /nfs/dbraw/zinc/41/43/77/353414377.db2.gz YSKWRDWPOAUAEV-CYBMUJFWSA-N 2 2 283.372 -0.308 20 0 CBADLP O=C(CCOC1C[NH2+]C1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000348991296 353443184 /nfs/dbraw/zinc/44/31/84/353443184.db2.gz NJMNMAGVTMFRDO-UHFFFAOYSA-N 2 2 293.371 -0.568 20 0 CBADLP O=C(CCOC1C[NH2+]C1)N1CCn2cc[nH+]c2C1 ZINC000348990457 353443191 /nfs/dbraw/zinc/44/31/91/353443191.db2.gz LSQIWKVJWCZPAX-UHFFFAOYSA-N 2 2 250.302 -0.396 20 0 CBADLP O=C(CCOC1C[NH2+]C1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000349023143 353444674 /nfs/dbraw/zinc/44/46/74/353444674.db2.gz BDEOCDMAIKLGLL-LBPRGKRZSA-N 2 2 283.372 -0.702 20 0 CBADLP C[C@@H](CC[NH+](C)C)NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000349639113 353458040 /nfs/dbraw/zinc/45/80/40/353458040.db2.gz RCULNOIPPWFGIN-QWHCGFSZSA-N 2 2 285.436 -0.128 20 0 CBADLP C[C@@H](CC[NH+](C)C)NC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000349639113 353458042 /nfs/dbraw/zinc/45/80/42/353458042.db2.gz RCULNOIPPWFGIN-QWHCGFSZSA-N 2 2 285.436 -0.128 20 0 CBADLP CC[NH+](CC)CCNC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000349780622 353462988 /nfs/dbraw/zinc/46/29/88/353462988.db2.gz WQKAEMDAHCBINU-CYBMUJFWSA-N 2 2 285.436 -0.127 20 0 CBADLP CC[NH+](CC)CCNC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000349780622 353462991 /nfs/dbraw/zinc/46/29/91/353462991.db2.gz WQKAEMDAHCBINU-CYBMUJFWSA-N 2 2 285.436 -0.127 20 0 CBADLP CC[NH+](CC)CCNC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000349780623 353463226 /nfs/dbraw/zinc/46/32/26/353463226.db2.gz WQKAEMDAHCBINU-ZDUSSCGKSA-N 2 2 285.436 -0.127 20 0 CBADLP CC[NH+](CC)CCNC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000349780623 353463227 /nfs/dbraw/zinc/46/32/27/353463227.db2.gz WQKAEMDAHCBINU-ZDUSSCGKSA-N 2 2 285.436 -0.127 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000352778993 353505535 /nfs/dbraw/zinc/50/55/35/353505535.db2.gz MVVFGMZHAGXJSQ-ZIAGYGMSSA-N 2 2 298.431 -0.541 20 0 CBADLP C[C@H](C[NH+](C)C)NC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000352896744 353509775 /nfs/dbraw/zinc/50/97/75/353509775.db2.gz CPWBIODNSRZMOY-NEPJUHHUSA-N 2 2 272.393 -0.044 20 0 CBADLP C[C@H](C[NH+](C)C)NC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000352896744 353509776 /nfs/dbraw/zinc/50/97/76/353509776.db2.gz CPWBIODNSRZMOY-NEPJUHHUSA-N 2 2 272.393 -0.044 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](C)C[NH+]2CCOCC2)C1 ZINC000353908915 353534505 /nfs/dbraw/zinc/53/45/05/353534505.db2.gz LFNOYIOYPWKHEX-KBPBESRZSA-N 2 2 299.415 -0.208 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@H](C)C[NH+]2CCOCC2)C1 ZINC000353908915 353534507 /nfs/dbraw/zinc/53/45/07/353534507.db2.gz LFNOYIOYPWKHEX-KBPBESRZSA-N 2 2 299.415 -0.208 20 0 CBADLP C[C@H](CC(N)=O)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000353947723 353535655 /nfs/dbraw/zinc/53/56/55/353535655.db2.gz ORQGDSOIYMOSSC-ODWCKFRGSA-N 2 2 296.415 -0.077 20 0 CBADLP C[C@H](CC(N)=O)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000353947723 353535657 /nfs/dbraw/zinc/53/56/57/353535657.db2.gz ORQGDSOIYMOSSC-ODWCKFRGSA-N 2 2 296.415 -0.077 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000354670339 353576936 /nfs/dbraw/zinc/57/69/36/353576936.db2.gz ISIVOKFIFUTLLK-RYUDHWBXSA-N 2 2 293.371 -0.354 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@H]2COCCO2)CC1 ZINC000354920945 353583894 /nfs/dbraw/zinc/58/38/94/353583894.db2.gz PGMGSPKBPIEVKL-UONOGXRCSA-N 2 2 297.399 -0.360 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@H]2COCCO2)CC1 ZINC000354920945 353583897 /nfs/dbraw/zinc/58/38/97/353583897.db2.gz PGMGSPKBPIEVKL-UONOGXRCSA-N 2 2 297.399 -0.360 20 0 CBADLP C[C@@H](C[NH3+])C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000357245529 353601654 /nfs/dbraw/zinc/60/16/54/353601654.db2.gz VJYUHVAQBLAXQE-LBPRGKRZSA-N 2 2 292.387 -0.690 20 0 CBADLP CN(C)c1nc(N2CC[NH+](CCOCC[NH3+])CC2)cc[nH+]1 ZINC000357079554 353601951 /nfs/dbraw/zinc/60/19/51/353601951.db2.gz MHXPMSMQWBWBKO-UHFFFAOYSA-N 3 2 294.403 -0.360 20 0 CBADLP CC[NH+](CC)CC(=O)N1CC[NH+](C[C@H]2COCCO2)CC1 ZINC000354370510 353557565 /nfs/dbraw/zinc/55/75/65/353557565.db2.gz AJLHBKIPLUFDMU-AWEZNQCLSA-N 2 2 299.415 -0.112 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N(C)CC[NH+](C)C ZINC000354514671 353564744 /nfs/dbraw/zinc/56/47/44/353564744.db2.gz QGXIEFXUFIGMPL-UHFFFAOYSA-N 2 2 272.393 -0.537 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N(C)CC[NH+](C)C ZINC000354514671 353564746 /nfs/dbraw/zinc/56/47/46/353564746.db2.gz QGXIEFXUFIGMPL-UHFFFAOYSA-N 2 2 272.393 -0.537 20 0 CBADLP C[C@H](C(=O)NC[C@]1(O)CC[N@H+](C)C1)[NH+]1CCSCC1 ZINC000358054199 353622606 /nfs/dbraw/zinc/62/26/06/353622606.db2.gz JZVPMHAFGHSDRX-DGCLKSJQSA-N 2 2 287.429 -0.394 20 0 CBADLP C[C@H](C(=O)NC[C@]1(O)CC[N@@H+](C)C1)[NH+]1CCSCC1 ZINC000358054199 353622610 /nfs/dbraw/zinc/62/26/10/353622610.db2.gz JZVPMHAFGHSDRX-DGCLKSJQSA-N 2 2 287.429 -0.394 20 0 CBADLP O=C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)NC1CC[NH+](C2CC2)CC1 ZINC000359299588 353653292 /nfs/dbraw/zinc/65/32/92/353653292.db2.gz GMGQQCLRNDUXJW-BETUJISGSA-N 3 2 292.427 -0.119 20 0 CBADLP CCOCCOC[C@H](O)C[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000357878090 353611743 /nfs/dbraw/zinc/61/17/43/353611743.db2.gz OFKACKMPDPEAOS-UPJWGTAASA-N 2 2 260.378 -0.060 20 0 CBADLP CCOCCOC[C@H](O)C[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000357878090 353611745 /nfs/dbraw/zinc/61/17/45/353611745.db2.gz OFKACKMPDPEAOS-UPJWGTAASA-N 2 2 260.378 -0.060 20 0 CBADLP CN(C)c1ccc(CNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)c[nH+]1 ZINC000357900048 353613165 /nfs/dbraw/zinc/61/31/65/353613165.db2.gz ASWCMTZNYWSXMT-MNOVXSKESA-N 2 2 264.329 -0.513 20 0 CBADLP O=C(NCCc1cn2ccccc2[nH+]1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000357930939 353615278 /nfs/dbraw/zinc/61/52/78/353615278.db2.gz WAZOBMUYWBCNPB-RYUDHWBXSA-N 2 2 274.324 -0.284 20 0 CBADLP O=C(NCCc1cn2ccccc2[nH+]1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000357930942 353615537 /nfs/dbraw/zinc/61/55/37/353615537.db2.gz WAZOBMUYWBCNPB-VXGBXAGGSA-N 2 2 274.324 -0.284 20 0 CBADLP O=C(NCc1ccn2cc[nH+]c2c1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000357934576 353615587 /nfs/dbraw/zinc/61/55/87/353615587.db2.gz SSMZYYRPHRNSLS-GHMZBOCLSA-N 2 2 260.297 -0.327 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C3C[NH2+]C3)C2)CC1 ZINC000364238408 353671153 /nfs/dbraw/zinc/67/11/53/353671153.db2.gz QVLIVEFHYFAKIS-LBPRGKRZSA-N 3 2 266.389 -0.510 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C3C[NH2+]C3)C2)CC1 ZINC000364238408 353671155 /nfs/dbraw/zinc/67/11/55/353671155.db2.gz QVLIVEFHYFAKIS-LBPRGKRZSA-N 3 2 266.389 -0.510 20 0 CBADLP O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)[C@@H]1COCC[NH2+]1 ZINC000366408126 353676243 /nfs/dbraw/zinc/67/62/43/353676243.db2.gz LSCQRJVYWDJMIS-LBPRGKRZSA-N 2 2 291.355 -0.582 20 0 CBADLP C[NH2+]C[C@H](C)C(=O)NC[C@@]1([NH+]2CCOCC2)CCCOC1 ZINC000370771468 353691791 /nfs/dbraw/zinc/69/17/91/353691791.db2.gz GQZSYCCZTDDTBL-ZFWWWQNUSA-N 2 2 299.415 -0.161 20 0 CBADLP CN1CC[C@@H]([NH+]2CCC(N3CC[N@H+](C)CC3=O)CC2)C1=O ZINC000371643781 353704981 /nfs/dbraw/zinc/70/49/81/353704981.db2.gz ZIMMCNMBLYTAGG-CYBMUJFWSA-N 2 2 294.399 -0.545 20 0 CBADLP CN1CC[C@@H]([NH+]2CCC(N3CC[N@@H+](C)CC3=O)CC2)C1=O ZINC000371643781 353704983 /nfs/dbraw/zinc/70/49/83/353704983.db2.gz ZIMMCNMBLYTAGG-CYBMUJFWSA-N 2 2 294.399 -0.545 20 0 CBADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000372720336 353721796 /nfs/dbraw/zinc/72/17/96/353721796.db2.gz AXEBENUBUFZMMU-STQMWFEESA-N 2 2 292.383 -0.030 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCO[C@H](C3CC3)C2)CC1 ZINC000375339520 353759583 /nfs/dbraw/zinc/75/95/83/353759583.db2.gz AJLXZDIBGVJMGM-ZDUSSCGKSA-N 2 2 267.373 -0.129 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CCO[C@H](C3CC3)C2)CC1 ZINC000375339520 353759586 /nfs/dbraw/zinc/75/95/86/353759586.db2.gz AJLXZDIBGVJMGM-ZDUSSCGKSA-N 2 2 267.373 -0.129 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H]3CSC[NH2+]3)C2)CC1 ZINC000377199301 353777667 /nfs/dbraw/zinc/77/76/67/353777667.db2.gz UGPVRJKFRCTOGM-YPMHNXCESA-N 3 2 298.456 -0.066 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H]3CSC[NH2+]3)C2)CC1 ZINC000377199301 353777670 /nfs/dbraw/zinc/77/76/70/353777670.db2.gz UGPVRJKFRCTOGM-YPMHNXCESA-N 3 2 298.456 -0.066 20 0 CBADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+]([C@H]2CC(=O)N(C)C2=O)C1 ZINC000378288342 353780276 /nfs/dbraw/zinc/78/02/76/353780276.db2.gz XNGFSURSCRXWDF-UWVGGRQHSA-N 2 2 262.313 -0.033 20 0 CBADLP Cn1cc[nH+]c1[C@H]1CC[N@H+]([C@H]2CC(=O)N(C)C2=O)C1 ZINC000378288342 353780280 /nfs/dbraw/zinc/78/02/80/353780280.db2.gz XNGFSURSCRXWDF-UWVGGRQHSA-N 2 2 262.313 -0.033 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](O)CC1 ZINC000378675278 353781636 /nfs/dbraw/zinc/78/16/36/353781636.db2.gz OFOURAHJSCOMAH-QWHCGFSZSA-N 2 2 260.378 -0.228 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](O)CC1 ZINC000378675278 353781638 /nfs/dbraw/zinc/78/16/38/353781638.db2.gz OFOURAHJSCOMAH-QWHCGFSZSA-N 2 2 260.378 -0.228 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](O)CC1 ZINC000378675278 353781639 /nfs/dbraw/zinc/78/16/39/353781639.db2.gz OFOURAHJSCOMAH-QWHCGFSZSA-N 2 2 260.378 -0.228 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](O)CC1 ZINC000378675278 353781640 /nfs/dbraw/zinc/78/16/40/353781640.db2.gz OFOURAHJSCOMAH-QWHCGFSZSA-N 2 2 260.378 -0.228 20 0 CBADLP CCCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000405468297 353808074 /nfs/dbraw/zinc/80/80/74/353808074.db2.gz UMENQNRJEXATDW-GHMZBOCLSA-N 2 2 286.376 -0.482 20 0 CBADLP CCCNC(=O)NC(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000405468297 353808075 /nfs/dbraw/zinc/80/80/75/353808075.db2.gz UMENQNRJEXATDW-GHMZBOCLSA-N 2 2 286.376 -0.482 20 0 CBADLP C[C@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@@H](CO)O1 ZINC000407983182 353816731 /nfs/dbraw/zinc/81/67/31/353816731.db2.gz OCRAVQBYCJCKHY-STQMWFEESA-N 2 2 285.388 -0.768 20 0 CBADLP C[C@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@@H](CO)O1 ZINC000407983182 353816734 /nfs/dbraw/zinc/81/67/34/353816734.db2.gz OCRAVQBYCJCKHY-STQMWFEESA-N 2 2 285.388 -0.768 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](COC)C1 ZINC000386184234 353787905 /nfs/dbraw/zinc/78/79/05/353787905.db2.gz UPOGVBHWQLSSRJ-QWHCGFSZSA-N 2 2 260.378 -0.106 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](COC)C1 ZINC000386184234 353787909 /nfs/dbraw/zinc/78/79/09/353787909.db2.gz UPOGVBHWQLSSRJ-QWHCGFSZSA-N 2 2 260.378 -0.106 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](COC)C1 ZINC000386184234 353787911 /nfs/dbraw/zinc/78/79/11/353787911.db2.gz UPOGVBHWQLSSRJ-QWHCGFSZSA-N 2 2 260.378 -0.106 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](COC)C1 ZINC000386184234 353787915 /nfs/dbraw/zinc/78/79/15/353787915.db2.gz UPOGVBHWQLSSRJ-QWHCGFSZSA-N 2 2 260.378 -0.106 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](C(=O)OC)C1 ZINC000394032293 353794360 /nfs/dbraw/zinc/79/43/60/353794360.db2.gz LPOUGKBCQOMFMV-VXGBXAGGSA-N 2 2 274.361 -0.580 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](C(=O)OC)C1 ZINC000394032293 353794365 /nfs/dbraw/zinc/79/43/65/353794365.db2.gz LPOUGKBCQOMFMV-VXGBXAGGSA-N 2 2 274.361 -0.580 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](C(=O)OC)C1 ZINC000394032293 353794368 /nfs/dbraw/zinc/79/43/68/353794368.db2.gz LPOUGKBCQOMFMV-VXGBXAGGSA-N 2 2 274.361 -0.580 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](C(=O)OC)C1 ZINC000394032293 353794372 /nfs/dbraw/zinc/79/43/72/353794372.db2.gz LPOUGKBCQOMFMV-VXGBXAGGSA-N 2 2 274.361 -0.580 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)C1 ZINC000408273629 353884593 /nfs/dbraw/zinc/88/45/93/353884593.db2.gz FJLYGNIWYMEVKA-LBPRGKRZSA-N 2 2 293.371 -0.616 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)C1 ZINC000408273629 353884596 /nfs/dbraw/zinc/88/45/96/353884596.db2.gz FJLYGNIWYMEVKA-LBPRGKRZSA-N 2 2 293.371 -0.616 20 0 CBADLP C[C@@H]1CN(C(=O)CC(N)=O)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000408080728 353845532 /nfs/dbraw/zinc/84/55/32/353845532.db2.gz SUTVLBRIRZLVBN-LLVKDONJSA-N 2 2 282.388 -0.511 20 0 CBADLP C[C@@H]1CN(C(=O)CC(N)=O)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000408080728 353845536 /nfs/dbraw/zinc/84/55/36/353845536.db2.gz SUTVLBRIRZLVBN-LLVKDONJSA-N 2 2 282.388 -0.511 20 0 CBADLP C[C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC[N@@H+]1CCO ZINC000408372935 353905992 /nfs/dbraw/zinc/90/59/92/353905992.db2.gz CHAJWJPNHLQUEC-OLZOCXBDSA-N 2 2 292.383 -0.030 20 0 CBADLP C[C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC[N@H+]1CCO ZINC000408372935 353905993 /nfs/dbraw/zinc/90/59/93/353905993.db2.gz CHAJWJPNHLQUEC-OLZOCXBDSA-N 2 2 292.383 -0.030 20 0 CBADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@H](C)N2CC[NH+](C)CC2)CC1 ZINC000408376137 353906725 /nfs/dbraw/zinc/90/67/25/353906725.db2.gz RJSXQCJDJRYLRP-KBPBESRZSA-N 2 2 298.431 -0.853 20 0 CBADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000408373990 353907065 /nfs/dbraw/zinc/90/70/65/353907065.db2.gz IXEMCWMABCUNGG-QWHCGFSZSA-N 2 2 292.383 -0.030 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[N@H+](C)CC[C@@H]2C)CC1 ZINC000410477423 353928940 /nfs/dbraw/zinc/92/89/40/353928940.db2.gz UFKUMTKDUYLHBX-ZDUSSCGKSA-N 2 2 296.415 -0.297 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[N@@H+](C)CC[C@@H]2C)CC1 ZINC000410477423 353928944 /nfs/dbraw/zinc/92/89/44/353928944.db2.gz UFKUMTKDUYLHBX-ZDUSSCGKSA-N 2 2 296.415 -0.297 20 0 CBADLP C[NH+]1CCN(C(=O)C(=O)N2CC[NH+](C3CCC3)CC2)CC1 ZINC000410571331 353931098 /nfs/dbraw/zinc/93/10/98/353931098.db2.gz JYUSPXSXMXQIFD-UHFFFAOYSA-N 2 2 294.399 -0.543 20 0 CBADLP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000410997828 353939722 /nfs/dbraw/zinc/93/97/22/353939722.db2.gz OZFOEXMIXRJMRL-UHFFFAOYSA-N 2 2 296.415 -0.297 20 0 CBADLP C[C@H](C[NH3+])CNC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000418462743 353998025 /nfs/dbraw/zinc/99/80/25/353998025.db2.gz BSKXVBLBFZYOFH-VXGBXAGGSA-N 2 2 272.393 -0.057 20 0 CBADLP C[C@H]1CN(C(=O)NCC[NH+]2CCOCC2)[C@@H](C)C[NH2+]1 ZINC000416432260 353968827 /nfs/dbraw/zinc/96/88/27/353968827.db2.gz DYSJMXHDOJXFMN-RYUDHWBXSA-N 2 2 270.377 -0.290 20 0 CBADLP C[C@@H]1CCN(C(=O)NCC[NH+]2CCOCC2)C[C@@H]1C[NH3+] ZINC000416443066 353969868 /nfs/dbraw/zinc/96/98/68/353969868.db2.gz GNOSGEKFWMABPB-OLZOCXBDSA-N 2 2 284.404 -0.055 20 0 CBADLP C[C@@H](C[NH3+])NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000416829098 353973879 /nfs/dbraw/zinc/97/38/79/353973879.db2.gz PIUNMFWECGGHRG-JTQLQIEISA-N 2 2 258.366 -0.256 20 0 CBADLP CC(C)[C@@H](CNC(=O)N1CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000416938281 353973929 /nfs/dbraw/zinc/97/39/29/353973929.db2.gz KWZDIQUKOALCLR-CYBMUJFWSA-N 2 2 284.404 -0.042 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NCC1([NH3+])CCC1 ZINC000417022126 353974755 /nfs/dbraw/zinc/97/47/55/353974755.db2.gz ITBNZEHBLVNRFY-NSHDSACASA-N 2 2 270.377 -0.112 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NCC(F)(F)C[NH3+] ZINC000417024967 353975837 /nfs/dbraw/zinc/97/58/37/353975837.db2.gz LIAFHXOEEKAREA-VIFPVBQESA-N 2 2 280.319 -0.400 20 0 CBADLP C[C@H]([NH3+])[C@H](C)NC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000417499492 353977656 /nfs/dbraw/zinc/97/76/56/353977656.db2.gz DZVRVQZYTUMODH-DCAQKATOSA-N 2 2 258.366 -0.258 20 0 CBADLP C[C@H]([NH3+])[C@H](C)NC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000417499492 353977660 /nfs/dbraw/zinc/97/76/60/353977660.db2.gz DZVRVQZYTUMODH-DCAQKATOSA-N 2 2 258.366 -0.258 20 0 CBADLP COCC[NH2+]CCNC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000417523578 353978492 /nfs/dbraw/zinc/97/84/92/353978492.db2.gz IEUIJZBTVFUWQW-LBPRGKRZSA-N 2 2 288.392 -0.758 20 0 CBADLP COCC[NH2+]CCNC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000417523578 353978495 /nfs/dbraw/zinc/97/84/95/353978495.db2.gz IEUIJZBTVFUWQW-LBPRGKRZSA-N 2 2 288.392 -0.758 20 0 CBADLP C[C@@H](NC(=O)N1CC[NH2+]CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000417527903 353978593 /nfs/dbraw/zinc/97/85/93/353978593.db2.gz VVJSFCFJDOXYTJ-VXGBXAGGSA-N 2 2 270.377 -0.290 20 0 CBADLP C[NH2+]CCCNC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000417521928 353978646 /nfs/dbraw/zinc/97/86/46/353978646.db2.gz FNEIIULNSZTLCY-NSHDSACASA-N 2 2 258.366 -0.384 20 0 CBADLP C[NH2+]CCCNC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000417521928 353978650 /nfs/dbraw/zinc/97/86/50/353978650.db2.gz FNEIIULNSZTLCY-NSHDSACASA-N 2 2 258.366 -0.384 20 0 CBADLP C[C@@H](C[NH3+])CNC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000417513789 353978728 /nfs/dbraw/zinc/97/87/28/353978728.db2.gz ZKLWGILEHZPFLL-NSHDSACASA-N 2 2 272.393 -0.009 20 0 CBADLP C[C@@H](C[NH3+])CNC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000417513789 353978731 /nfs/dbraw/zinc/97/87/31/353978731.db2.gz ZKLWGILEHZPFLL-NSHDSACASA-N 2 2 272.393 -0.009 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000417499893 353978818 /nfs/dbraw/zinc/97/88/18/353978818.db2.gz FRUDMKPGMAWNKZ-NWDGAFQWSA-N 2 2 270.377 -0.160 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000417499893 353978820 /nfs/dbraw/zinc/97/88/20/353978820.db2.gz FRUDMKPGMAWNKZ-NWDGAFQWSA-N 2 2 270.377 -0.160 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N1CC[NH2+]CC1 ZINC000417531373 353979009 /nfs/dbraw/zinc/97/90/09/353979009.db2.gz UKVWEMQIHGIRFU-NSHDSACASA-N 2 2 256.350 -0.678 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)N1CC[NH2+]CC1 ZINC000417531373 353979010 /nfs/dbraw/zinc/97/90/10/353979010.db2.gz UKVWEMQIHGIRFU-NSHDSACASA-N 2 2 256.350 -0.678 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000417503236 353979094 /nfs/dbraw/zinc/97/90/94/353979094.db2.gz CTIAXBZGXZXBDY-ZYHUDNBSSA-N 2 2 270.377 -0.256 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000417503236 353979098 /nfs/dbraw/zinc/97/90/98/353979098.db2.gz CTIAXBZGXZXBDY-ZYHUDNBSSA-N 2 2 270.377 -0.256 20 0 CBADLP CC1(C)COCC[N@@H+]1CCNC(=O)N1CC[NH2+]CC1 ZINC000417502839 353979129 /nfs/dbraw/zinc/97/91/29/353979129.db2.gz KERLHEAOKCHLER-UHFFFAOYSA-N 2 2 270.377 -0.288 20 0 CBADLP CC1(C)COCC[N@H+]1CCNC(=O)N1CC[NH2+]CC1 ZINC000417502839 353979132 /nfs/dbraw/zinc/97/91/32/353979132.db2.gz KERLHEAOKCHLER-UHFFFAOYSA-N 2 2 270.377 -0.288 20 0 CBADLP C[C@H](CC[NH3+])NC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000417534116 353979788 /nfs/dbraw/zinc/97/97/88/353979788.db2.gz YMZAUGIPEHSIDB-GHMZBOCLSA-N 2 2 258.366 -0.256 20 0 CBADLP C[C@H](CC[NH3+])NC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000417534116 353979790 /nfs/dbraw/zinc/97/97/90/353979790.db2.gz YMZAUGIPEHSIDB-GHMZBOCLSA-N 2 2 258.366 -0.256 20 0 CBADLP C[C@@H](CC[NH3+])NC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000417534121 353980184 /nfs/dbraw/zinc/98/01/84/353980184.db2.gz YMZAUGIPEHSIDB-WDEREUQCSA-N 2 2 258.366 -0.256 20 0 CBADLP C[C@@H](CC[NH3+])NC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000417534121 353980186 /nfs/dbraw/zinc/98/01/86/353980186.db2.gz YMZAUGIPEHSIDB-WDEREUQCSA-N 2 2 258.366 -0.256 20 0 CBADLP C[C@H](C[NH3+])CNC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000418116999 353987817 /nfs/dbraw/zinc/98/78/17/353987817.db2.gz RIOGTWMMAHIJNB-LLVKDONJSA-N 2 2 270.377 -0.255 20 0 CBADLP C[NH2+]C[C@@H](C)CNC(=O)N(C)CC[NH+]1CCOCC1 ZINC000418361159 353994722 /nfs/dbraw/zinc/99/47/22/353994722.db2.gz AINILKGFLATWHW-GFCCVEGCSA-N 2 2 272.393 -0.185 20 0 CBADLP [NH3+]CC(F)(F)CNC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000418509075 354000348 /nfs/dbraw/zinc/00/03/48/354000348.db2.gz FSVPSPBSTYRIQY-AOOOYVTPSA-N 2 2 292.330 -0.257 20 0 CBADLP [NH3+]CC(F)(F)CNC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000418509075 354000352 /nfs/dbraw/zinc/00/03/52/354000352.db2.gz FSVPSPBSTYRIQY-AOOOYVTPSA-N 2 2 292.330 -0.257 20 0 CBADLP CC[C@H]1C[N@H+](CCNC(=O)N[C@@H](C)C[NH3+])CCO1 ZINC000418621583 354004394 /nfs/dbraw/zinc/00/43/94/354004394.db2.gz SURIRBKEACUHCG-QWRGUYRKSA-N 2 2 258.366 -0.256 20 0 CBADLP CC[C@H]1C[N@@H+](CCNC(=O)N[C@@H](C)C[NH3+])CCO1 ZINC000418621583 354004396 /nfs/dbraw/zinc/00/43/96/354004396.db2.gz SURIRBKEACUHCG-QWRGUYRKSA-N 2 2 258.366 -0.256 20 0 CBADLP CC1(C)CN(C(=O)C(=O)NCCn2cc[nH+]c2)CC[NH2+]1 ZINC000418886089 354014334 /nfs/dbraw/zinc/01/43/34/354014334.db2.gz KCAUPZFTKDBWDC-UHFFFAOYSA-N 2 2 279.344 -0.790 20 0 CBADLP C[C@@H]1CN(C(=O)C(=O)NCCn2cc[nH+]c2)[C@@H](C)C[NH2+]1 ZINC000418894440 354014714 /nfs/dbraw/zinc/01/47/14/354014714.db2.gz ZEUANFZTTFESPW-MNOVXSKESA-N 2 2 279.344 -0.792 20 0 CBADLP C[C@H]1CCCN(C(=O)C(=O)NCCn2cc[nH+]c2)[C@H]1C[NH3+] ZINC000418886191 354014785 /nfs/dbraw/zinc/01/47/85/354014785.db2.gz KIZJCZPMNJYHCA-RYUDHWBXSA-N 2 2 293.371 -0.415 20 0 CBADLP [NH3+]C1(CNC(=O)C(=O)NCCn2cc[nH+]c2)CCCCC1 ZINC000418883507 354014802 /nfs/dbraw/zinc/01/48/02/354014802.db2.gz CIBROECKFGOTNU-UHFFFAOYSA-N 2 2 293.371 -0.223 20 0 CBADLP C[C@@H]1CCCN(C(=O)C(=O)NCCn2cc[nH+]c2)[C@@H]1C[NH3+] ZINC000418886193 354014843 /nfs/dbraw/zinc/01/48/43/354014843.db2.gz KIZJCZPMNJYHCA-VXGBXAGGSA-N 2 2 293.371 -0.415 20 0 CBADLP C[C@@H](CC[NH3+])NC(=O)C(=O)NCCCNc1cccc[nH+]1 ZINC000419641292 354066907 /nfs/dbraw/zinc/06/69/07/354066907.db2.gz HWXTUSRYWUXUDP-NSHDSACASA-N 2 2 293.371 -0.147 20 0 CBADLP C[C@H](CC[NH3+])NC(=O)C(=O)NCCCNc1cccc[nH+]1 ZINC000419641290 354067188 /nfs/dbraw/zinc/06/71/88/354067188.db2.gz HWXTUSRYWUXUDP-LLVKDONJSA-N 2 2 293.371 -0.147 20 0 CBADLP O=C(NCCCNc1cccc[nH+]1)C(=O)N1CC[NH2+]CC1 ZINC000419646989 354067270 /nfs/dbraw/zinc/06/72/70/354067270.db2.gz LPZPWTAPDNKUKH-UHFFFAOYSA-N 2 2 291.355 -0.568 20 0 CBADLP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000419690686 354070055 /nfs/dbraw/zinc/07/00/55/354070055.db2.gz VRVXIIKEJCFHGK-NWDGAFQWSA-N 2 2 295.387 -0.123 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000419842849 354084245 /nfs/dbraw/zinc/08/42/45/354084245.db2.gz MEGVZBRLZSJQOW-LLVKDONJSA-N 2 2 268.361 -0.981 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000419886951 354089728 /nfs/dbraw/zinc/08/97/28/354089728.db2.gz KVPATIGMMHHUSJ-QWHCGFSZSA-N 2 2 296.415 -0.345 20 0 CBADLP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000419990654 354100164 /nfs/dbraw/zinc/10/01/64/354100164.db2.gz GITNRIHJRJPYAJ-LBPRGKRZSA-N 2 2 282.388 -0.608 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000420095917 354109482 /nfs/dbraw/zinc/10/94/82/354109482.db2.gz ZHPQAQUAPDKPOG-CYBMUJFWSA-N 2 2 296.415 -0.216 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000420144103 354111879 /nfs/dbraw/zinc/11/18/79/354111879.db2.gz MJOCQOMVNIHYFT-RYUDHWBXSA-N 2 2 282.388 -0.735 20 0 CBADLP C[NH2+][C@H]1CCC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000420288412 354121419 /nfs/dbraw/zinc/12/14/19/354121419.db2.gz GZCKHWALNVUHEC-ZDUSSCGKSA-N 3 2 268.405 -0.166 20 0 CBADLP C[NH2+][C@H]1CCC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000420288412 354121422 /nfs/dbraw/zinc/12/14/22/354121422.db2.gz GZCKHWALNVUHEC-ZDUSSCGKSA-N 3 2 268.405 -0.166 20 0 CBADLP COC(=O)CCC[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000420299646 354121658 /nfs/dbraw/zinc/12/16/58/354121658.db2.gz BEGZPFQEDIMDNV-GFCCVEGCSA-N 2 2 283.372 -0.164 20 0 CBADLP COC(=O)CCC[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000420299646 354121660 /nfs/dbraw/zinc/12/16/60/354121660.db2.gz BEGZPFQEDIMDNV-GFCCVEGCSA-N 2 2 283.372 -0.164 20 0 CBADLP COC(=O)[C@H](C)[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000420316040 354122753 /nfs/dbraw/zinc/12/27/53/354122753.db2.gz XNPPZZJDUKUACF-QWRGUYRKSA-N 2 2 269.345 -0.556 20 0 CBADLP COC(=O)[C@H](C)[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000420316040 354122755 /nfs/dbraw/zinc/12/27/55/354122755.db2.gz XNPPZZJDUKUACF-QWRGUYRKSA-N 2 2 269.345 -0.556 20 0 CBADLP CC(C)N(C)C(=O)C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000420317303 354122941 /nfs/dbraw/zinc/12/29/41/354122941.db2.gz ZIVUYPPUVZURQX-CYBMUJFWSA-N 2 2 296.415 -0.251 20 0 CBADLP CC(C)N(C)C(=O)C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000420317303 354122944 /nfs/dbraw/zinc/12/29/44/354122944.db2.gz ZIVUYPPUVZURQX-CYBMUJFWSA-N 2 2 296.415 -0.251 20 0 CBADLP Cc1ccccc1CNC(=O)C[N@H+](C)C[C@H](O)C[NH3+] ZINC000420352068 354125197 /nfs/dbraw/zinc/12/51/97/354125197.db2.gz LTXIPQCEDJXJTK-CYBMUJFWSA-N 2 2 265.357 -0.137 20 0 CBADLP Cc1ccccc1CNC(=O)C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420352068 354125201 /nfs/dbraw/zinc/12/52/01/354125201.db2.gz LTXIPQCEDJXJTK-CYBMUJFWSA-N 2 2 265.357 -0.137 20 0 CBADLP C[NH2+]CCCN(CC[NH+]1CCOCC1)CC(=O)OC ZINC000420362459 354125596 /nfs/dbraw/zinc/12/55/96/354125596.db2.gz OISLSGXFDJFBMZ-UHFFFAOYSA-N 2 2 273.377 -0.597 20 0 CBADLP C[NH2+]CCC[N@@H+]1CC[C@H](S(=O)(=O)NC(C)C)C1 ZINC000420365065 354125710 /nfs/dbraw/zinc/12/57/10/354125710.db2.gz DLZJMWMHTFLEJO-NSHDSACASA-N 2 2 263.407 -0.002 20 0 CBADLP C[NH2+]CCC[N@H+]1CC[C@H](S(=O)(=O)NC(C)C)C1 ZINC000420365065 354125714 /nfs/dbraw/zinc/12/57/14/354125714.db2.gz DLZJMWMHTFLEJO-NSHDSACASA-N 2 2 263.407 -0.002 20 0 CBADLP CCOc1cccc(CNC(=O)C[N@H+](C)C[C@H](O)C[NH3+])c1 ZINC000420355545 354125797 /nfs/dbraw/zinc/12/57/97/354125797.db2.gz PVROIYRWSBBTBT-CYBMUJFWSA-N 2 2 295.383 -0.047 20 0 CBADLP CCOc1cccc(CNC(=O)C[N@@H+](C)C[C@H](O)C[NH3+])c1 ZINC000420355545 354125800 /nfs/dbraw/zinc/12/58/00/354125800.db2.gz PVROIYRWSBBTBT-CYBMUJFWSA-N 2 2 295.383 -0.047 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@@H]([NH3+])C2CCC2)CC1 ZINC000423309433 354168703 /nfs/dbraw/zinc/16/87/03/354168703.db2.gz ZSVMWUATDQOXCV-LBPRGKRZSA-N 2 2 255.362 -0.096 20 0 CBADLP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N2CC[NH2+][C@H](C)C2)C[C@@H]1C ZINC000423365421 354172476 /nfs/dbraw/zinc/17/24/76/354172476.db2.gz BFGZIYWVQLZRFH-FRRDWIJNSA-N 2 2 296.415 -0.252 20 0 CBADLP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N2CC[NH2+][C@H](C)C2)C[C@@H]1C ZINC000423365421 354172480 /nfs/dbraw/zinc/17/24/80/354172480.db2.gz BFGZIYWVQLZRFH-FRRDWIJNSA-N 2 2 296.415 -0.252 20 0 CBADLP COC[C@@]1(C(=O)NCC[N@@H+]2CCOCC2(C)C)CC[NH2+]C1 ZINC000423379774 354173905 /nfs/dbraw/zinc/17/39/05/354173905.db2.gz NEZJQMJDYZPZPE-OAHLLOKOSA-N 2 2 299.415 -0.161 20 0 CBADLP COC[C@@]1(C(=O)NCC[N@H+]2CCOCC2(C)C)CC[NH2+]C1 ZINC000423379774 354173907 /nfs/dbraw/zinc/17/39/07/354173907.db2.gz NEZJQMJDYZPZPE-OAHLLOKOSA-N 2 2 299.415 -0.161 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H](C(=O)NC)C2)CC1 ZINC000420971822 354138645 /nfs/dbraw/zinc/13/86/45/354138645.db2.gz IPICHGIBZZKGAG-QWHCGFSZSA-N 2 2 296.415 -0.393 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H](C(=O)NC)C2)CC1 ZINC000420971822 354138649 /nfs/dbraw/zinc/13/86/49/354138649.db2.gz IPICHGIBZZKGAG-QWHCGFSZSA-N 2 2 296.415 -0.393 20 0 CBADLP Cn1cc(C[NH+]2CCN(C(=O)C3(C)C[NH2+]C3)CC2)cn1 ZINC000423434590 354176812 /nfs/dbraw/zinc/17/68/12/354176812.db2.gz QGIDRXJVSIEUAW-UHFFFAOYSA-N 2 2 277.372 -0.326 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N(C)C[C@H]2CCC[N@@H+]2C)CC1 ZINC000422103330 354143853 /nfs/dbraw/zinc/14/38/53/354143853.db2.gz ROTMZFHVKYNMMC-CYBMUJFWSA-N 2 2 296.415 -0.297 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N(C)C[C@H]2CCC[N@H+]2C)CC1 ZINC000422103330 354143854 /nfs/dbraw/zinc/14/38/54/354143854.db2.gz ROTMZFHVKYNMMC-CYBMUJFWSA-N 2 2 296.415 -0.297 20 0 CBADLP C[NH2+]CCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000422778261 354154784 /nfs/dbraw/zinc/15/47/84/354154784.db2.gz HCGHUNIKEOFHRE-LBPRGKRZSA-N 2 2 255.362 -0.035 20 0 CBADLP C[NH2+]CCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000422778261 354154785 /nfs/dbraw/zinc/15/47/85/354154785.db2.gz HCGHUNIKEOFHRE-LBPRGKRZSA-N 2 2 255.362 -0.035 20 0 CBADLP CC(C)C[C@@H](C[NH3+])NC(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000422837496 354155830 /nfs/dbraw/zinc/15/58/30/354155830.db2.gz USQFWUGHMRWYHZ-LBPRGKRZSA-N 2 2 286.420 -0.068 20 0 CBADLP CC(C)C[C@@H](C[NH3+])NC(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000422837496 354155834 /nfs/dbraw/zinc/15/58/34/354155834.db2.gz USQFWUGHMRWYHZ-LBPRGKRZSA-N 2 2 286.420 -0.068 20 0 CBADLP C[C@H]([NH2+]CCNC(=O)c1ccn[nH]1)[C@@H]1CCC[NH2+]1 ZINC000423047410 354160549 /nfs/dbraw/zinc/16/05/49/354160549.db2.gz VEFCPVPNUXVTNJ-UWVGGRQHSA-N 2 2 251.334 -0.130 20 0 CBADLP C[NH+](C)CCOCC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423073208 354162744 /nfs/dbraw/zinc/16/27/44/354162744.db2.gz QYFDYGFBXKARHM-KBPBESRZSA-N 3 2 271.405 -0.079 20 0 CBADLP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CCO1 ZINC000423535582 354179723 /nfs/dbraw/zinc/17/97/23/354179723.db2.gz DLBYVMJLWMWFOE-KGLIPLIRSA-N 2 2 297.399 -0.327 20 0 CBADLP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CCO1 ZINC000423535582 354179725 /nfs/dbraw/zinc/17/97/25/354179725.db2.gz DLBYVMJLWMWFOE-KGLIPLIRSA-N 2 2 297.399 -0.327 20 0 CBADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423543280 354179921 /nfs/dbraw/zinc/17/99/21/354179921.db2.gz UVGSUPDITHJQJH-OLZOCXBDSA-N 2 2 285.388 -0.327 20 0 CBADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423543280 354179924 /nfs/dbraw/zinc/17/99/24/354179924.db2.gz UVGSUPDITHJQJH-OLZOCXBDSA-N 2 2 285.388 -0.327 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2CCCC[C@@H]2C[NH3+])CC1 ZINC000423607406 354183394 /nfs/dbraw/zinc/18/33/94/354183394.db2.gz MKAQAAKHPAXJHN-GFCCVEGCSA-N 2 2 282.388 -0.510 20 0 CBADLP CC(C)[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)CC1 ZINC000423626973 354186236 /nfs/dbraw/zinc/18/62/36/354186236.db2.gz HQTCNVZUDFVHSL-OLZOCXBDSA-N 2 2 296.415 -0.252 20 0 CBADLP CC(C)[NH+]1CCN(C(=O)C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)CC1 ZINC000423626974 354187073 /nfs/dbraw/zinc/18/70/73/354187073.db2.gz HQTCNVZUDFVHSL-QWHCGFSZSA-N 2 2 296.415 -0.252 20 0 CBADLP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)C[C@@H](C)[NH2+]1 ZINC000423670349 354190007 /nfs/dbraw/zinc/19/00/07/354190007.db2.gz AVQCTDSQDVKBMI-LPWJVIDDSA-N 2 2 296.415 -0.254 20 0 CBADLP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)C[C@@H](C)[NH2+]1 ZINC000423670349 354190012 /nfs/dbraw/zinc/19/00/12/354190012.db2.gz AVQCTDSQDVKBMI-LPWJVIDDSA-N 2 2 296.415 -0.254 20 0 CBADLP O=C(NC[C@@H]1C[NH2+]C[C@H]1O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000423682130 354191005 /nfs/dbraw/zinc/19/10/05/354191005.db2.gz VRYRDXTWSQNXHZ-BFHYXJOUSA-N 2 2 297.399 -0.816 20 0 CBADLP O=C(NC[C@@H]1C[NH2+]C[C@H]1O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000423682130 354191007 /nfs/dbraw/zinc/19/10/07/354191007.db2.gz VRYRDXTWSQNXHZ-BFHYXJOUSA-N 2 2 297.399 -0.816 20 0 CBADLP C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](C)CC2)C[C@@H]1C[NH3+] ZINC000423708892 354193378 /nfs/dbraw/zinc/19/33/78/354193378.db2.gz NHGVZTFOHXDLFS-NEPJUHHUSA-N 2 2 282.388 -0.796 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)[C@H]1CCCC[NH2+]1 ZINC000423734544 354195312 /nfs/dbraw/zinc/19/53/12/354195312.db2.gz BALAABAGOLUUSE-GFCCVEGCSA-N 2 2 255.362 -0.081 20 0 CBADLP O=C(C[NH2+]CC1CC1)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000423756563 354198267 /nfs/dbraw/zinc/19/82/67/354198267.db2.gz LFMGCVAUVQQACH-ZDUSSCGKSA-N 2 2 267.373 -0.035 20 0 CBADLP O=C(C[NH2+]CC1CC1)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000423756563 354198270 /nfs/dbraw/zinc/19/82/70/354198270.db2.gz LFMGCVAUVQQACH-ZDUSSCGKSA-N 2 2 267.373 -0.035 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCn3ncnc3C2)CC1 ZINC000328692820 202016501 /nfs/dbraw/zinc/01/65/01/202016501.db2.gz RWHWYNXRVRRLPQ-UHFFFAOYSA-N 2 2 278.360 -0.742 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCn3ncnc3C2)CC1 ZINC000328692820 202016504 /nfs/dbraw/zinc/01/65/04/202016504.db2.gz RWHWYNXRVRRLPQ-UHFFFAOYSA-N 2 2 278.360 -0.742 20 0 CBADLP CC[C@H]([NH3+])C(=O)N1CC[NH+]([C@@H](C)CC(=O)OC)CC1 ZINC000423781325 354199806 /nfs/dbraw/zinc/19/98/06/354199806.db2.gz HWAAUBLLKBZYTM-QWRGUYRKSA-N 2 2 271.361 -0.181 20 0 CBADLP C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)[C@H]2CC[NH2+]2)C1 ZINC000423876424 354203497 /nfs/dbraw/zinc/20/34/97/354203497.db2.gz SHNCOTMWJGFYKF-CHWSQXEVSA-N 2 2 267.373 -0.083 20 0 CBADLP C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)[C@H]2CC[NH2+]2)C1 ZINC000423876424 354203501 /nfs/dbraw/zinc/20/35/01/354203501.db2.gz SHNCOTMWJGFYKF-CHWSQXEVSA-N 2 2 267.373 -0.083 20 0 CBADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H]2COCC[NH2+]2)C[C@H]1C ZINC000423899102 354204553 /nfs/dbraw/zinc/20/45/53/354204553.db2.gz QDPBAQUADHYVAV-VXGBXAGGSA-N 2 2 299.371 -0.929 20 0 CBADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@H]2COCC[NH2+]2)C[C@H]1C ZINC000423899102 354204555 /nfs/dbraw/zinc/20/45/55/354204555.db2.gz QDPBAQUADHYVAV-VXGBXAGGSA-N 2 2 299.371 -0.929 20 0 CBADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@]23C[C@H]2CC[NH2+]3)C[C@@H]1C ZINC000423903686 354205356 /nfs/dbraw/zinc/20/53/56/354205356.db2.gz WSHAOWUYSTVSDF-ZOWXZIJZSA-N 2 2 295.383 -0.166 20 0 CBADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@]23C[C@H]2CC[NH2+]3)C[C@@H]1C ZINC000423903686 354205358 /nfs/dbraw/zinc/20/53/58/354205358.db2.gz WSHAOWUYSTVSDF-ZOWXZIJZSA-N 2 2 295.383 -0.166 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000423943825 354206196 /nfs/dbraw/zinc/20/61/96/354206196.db2.gz GPNYHBUATXXMOS-GFCCVEGCSA-N 2 2 284.404 -0.362 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000423943825 354206200 /nfs/dbraw/zinc/20/62/00/354206200.db2.gz GPNYHBUATXXMOS-GFCCVEGCSA-N 2 2 284.404 -0.362 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2[NH3+])C[C@H]1[NH+]1CCOCC1 ZINC000424140355 354210928 /nfs/dbraw/zinc/21/09/28/354210928.db2.gz FMFRSZJHXYPXQX-WISYIIOYSA-N 2 2 253.346 -0.487 20 0 CBADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000424138556 354211270 /nfs/dbraw/zinc/21/12/70/354211270.db2.gz CLKWZDYLRPEMNP-XQQFMLRXSA-N 2 2 294.399 -0.511 20 0 CBADLP O=C(NC[C@H]1C[NH+]2CCN1CC2)[C@H]1CCC[N@@H+]1C1CC1 ZINC000427057214 354244852 /nfs/dbraw/zinc/24/48/52/354244852.db2.gz OCJIFGLUJUQBBW-UONOGXRCSA-N 2 2 278.400 -0.271 20 0 CBADLP O=C(NC[C@H]1C[NH+]2CCN1CC2)[C@H]1CCC[N@H+]1C1CC1 ZINC000427057214 354244853 /nfs/dbraw/zinc/24/48/53/354244853.db2.gz OCJIFGLUJUQBBW-UONOGXRCSA-N 2 2 278.400 -0.271 20 0 CBADLP C[C@@H](CNC(=O)CN1CC[NH2+]CC1=O)[N@@H+]1CCCC[C@H]1C ZINC000430766228 354250601 /nfs/dbraw/zinc/25/06/01/354250601.db2.gz WNVXYKFZGROOCX-OLZOCXBDSA-N 2 2 296.415 -0.203 20 0 CBADLP C[C@@H](CNC(=O)CN1CC[NH2+]CC1=O)[N@H+]1CCCC[C@H]1C ZINC000430766228 354250603 /nfs/dbraw/zinc/25/06/03/354250603.db2.gz WNVXYKFZGROOCX-OLZOCXBDSA-N 2 2 296.415 -0.203 20 0 CBADLP CNS(=O)(=O)CCC[N@@H+]1CCC[C@H](C)[C@H]1C[NH3+] ZINC000430586642 354250745 /nfs/dbraw/zinc/25/07/45/354250745.db2.gz WQHPPBBMAWXZSJ-WDEREUQCSA-N 2 2 263.407 -0.015 20 0 CBADLP CNS(=O)(=O)CCC[N@H+]1CCC[C@H](C)[C@H]1C[NH3+] ZINC000430586642 354250747 /nfs/dbraw/zinc/25/07/47/354250747.db2.gz WQHPPBBMAWXZSJ-WDEREUQCSA-N 2 2 263.407 -0.015 20 0 CBADLP C[C@@H]1CN(C(=O)[C@H]2CC[NH2+]2)C[C@H]1[NH+]1CCOCC1 ZINC000444264120 354266578 /nfs/dbraw/zinc/26/65/78/354266578.db2.gz IRFSBCUNHPDWTD-IJLUTSLNSA-N 2 2 253.346 -0.473 20 0 CBADLP O=C(NCC[NH+]1CCN(C(=O)C2CCC2)CC1)[C@H]1CC[NH2+]1 ZINC000444168018 354262477 /nfs/dbraw/zinc/26/24/77/354262477.db2.gz NDIJNKPENOCZCO-CYBMUJFWSA-N 2 2 294.399 -0.591 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000444177032 354263486 /nfs/dbraw/zinc/26/34/86/354263486.db2.gz SGNQCZCZBMSLRR-BZPMIXESSA-N 2 2 267.373 -0.177 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000444177032 354263489 /nfs/dbraw/zinc/26/34/89/354263489.db2.gz SGNQCZCZBMSLRR-BZPMIXESSA-N 2 2 267.373 -0.177 20 0 CBADLP COCC(C)(C)[NH+]1CCN(C(=O)[C@H]2[NH2+]CCO[C@@H]2C)CC1 ZINC000424218733 354220542 /nfs/dbraw/zinc/22/05/42/354220542.db2.gz WMJHFZVBFHAJFA-OLZOCXBDSA-N 2 2 299.415 -0.068 20 0 CBADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCCCN1CCCC1=O ZINC000424328703 354222853 /nfs/dbraw/zinc/22/28/53/354222853.db2.gz FOWWRPXRSATXCS-CHWSQXEVSA-N 2 2 296.415 -0.025 20 0 CBADLP O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424464028 354224476 /nfs/dbraw/zinc/22/44/76/354224476.db2.gz HKSRDHRQBVLNBD-AEJSXWLSSA-N 2 2 292.330 -0.889 20 0 CBADLP CO[C@H]1CC[NH+](CC(O)C[N@H+]2CC[C@H](OC)C2)C1 ZINC000447306892 354296211 /nfs/dbraw/zinc/29/62/11/354296211.db2.gz VYTXLDHZUZIWEF-STQMWFEESA-N 2 2 258.362 -0.211 20 0 CBADLP CO[C@H]1CC[NH+](CC(O)C[N@@H+]2CC[C@H](OC)C2)C1 ZINC000447306892 354296214 /nfs/dbraw/zinc/29/62/14/354296214.db2.gz VYTXLDHZUZIWEF-STQMWFEESA-N 2 2 258.362 -0.211 20 0 CBADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@H]2C[C@]23CC[NH2+]C3)CC1 ZINC000444273505 354267839 /nfs/dbraw/zinc/26/78/39/354267839.db2.gz PZOWSGVVWYAWQE-ABAIWWIYSA-N 2 2 294.399 -0.606 20 0 CBADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)[C@H]2CC[NH2+]2)CC1 ZINC000444264659 354267884 /nfs/dbraw/zinc/26/78/84/354267884.db2.gz HZRUMUWONGXQHL-QWHCGFSZSA-N 2 2 294.399 -0.497 20 0 CBADLP C[NH+](C)CC(=O)NC[C@H](NC(=O)C[NH+](C)C)C1CCCC1 ZINC000444402777 354272467 /nfs/dbraw/zinc/27/24/67/354272467.db2.gz FONBHNLJQBNFEZ-ZDUSSCGKSA-N 2 2 298.431 -0.099 20 0 CBADLP C[NH+](C)CC(=O)NC[C@@H](NC(=O)C[NH+](C)C)C1CCCC1 ZINC000444402771 354273318 /nfs/dbraw/zinc/27/33/18/354273318.db2.gz FONBHNLJQBNFEZ-CYBMUJFWSA-N 2 2 298.431 -0.099 20 0 CBADLP C[N@@H+]1CC[C@@H]2CN(C(=O)NC[C@H]3C[NH+](C)CCO3)C[C@@H]21 ZINC000454446805 354355956 /nfs/dbraw/zinc/35/59/56/354355956.db2.gz VBLURIXHKSFCGM-AGIUHOORSA-N 2 2 282.388 -0.338 20 0 CBADLP C[N@H+]1CC[C@@H]2CN(C(=O)NC[C@H]3C[NH+](C)CCO3)C[C@@H]21 ZINC000454446805 354355957 /nfs/dbraw/zinc/35/59/57/354355957.db2.gz VBLURIXHKSFCGM-AGIUHOORSA-N 2 2 282.388 -0.338 20 0 CBADLP C[NH+]1CC[C@@H]2CN(C(=O)NC[C@H]3C[N@H+](C)CCO3)C[C@@H]21 ZINC000454446805 354355960 /nfs/dbraw/zinc/35/59/60/354355960.db2.gz VBLURIXHKSFCGM-AGIUHOORSA-N 2 2 282.388 -0.338 20 0 CBADLP C[NH+]1CC[C@@H]2CN(C(=O)NC[C@H]3C[N@@H+](C)CCO3)C[C@@H]21 ZINC000454446805 354355962 /nfs/dbraw/zinc/35/59/62/354355962.db2.gz VBLURIXHKSFCGM-AGIUHOORSA-N 2 2 282.388 -0.338 20 0 CBADLP CCC[NH2+][C@@H](C)C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000449137049 354318770 /nfs/dbraw/zinc/31/87/70/354318770.db2.gz DCTGLEZPNZZBLR-NSHDSACASA-N 2 2 284.404 -0.217 20 0 CBADLP CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000449441803 354319605 /nfs/dbraw/zinc/31/96/05/354319605.db2.gz ISBCOZFSQUPMRC-HBNTYKKESA-N 2 2 263.407 -0.146 20 0 CBADLP CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000449441803 354319607 /nfs/dbraw/zinc/31/96/07/354319607.db2.gz ISBCOZFSQUPMRC-HBNTYKKESA-N 2 2 263.407 -0.146 20 0 CBADLP CN1CC[NH2+]C[C@H]1CNC(=O)c1ccc2[nH+]ccn2c1 ZINC000449698966 354321640 /nfs/dbraw/zinc/32/16/40/354321640.db2.gz PDFHLUWWMKJMLW-LBPRGKRZSA-N 2 2 273.340 -0.032 20 0 CBADLP CCC[C@@H](O)C[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000450251618 354323588 /nfs/dbraw/zinc/32/35/88/354323588.db2.gz CCSPUIOMRKUERQ-GFCCVEGCSA-N 2 2 257.378 -0.147 20 0 CBADLP C[C@@H]1C[C@@H](O)C[NH+](C[C@H](O)C[N@@H+]2C[C@H](C)C[C@H](O)C2)C1 ZINC000452065790 354346630 /nfs/dbraw/zinc/34/66/30/354346630.db2.gz DGFXUOYPYBJJPC-ZSAUSMIDSA-N 2 2 286.416 -0.247 20 0 CBADLP C[C@@H]1C[C@@H](O)C[NH+](C[C@H](O)C[N@H+]2C[C@H](C)C[C@H](O)C2)C1 ZINC000452065790 354346631 /nfs/dbraw/zinc/34/66/31/354346631.db2.gz DGFXUOYPYBJJPC-ZSAUSMIDSA-N 2 2 286.416 -0.247 20 0 CBADLP C[C@@H]1C[C@H](O)C[NH+](C[C@@H](O)C[N@@H+]2C[C@H](C)C[C@@H](O)C2)C1 ZINC000452065790 354346632 /nfs/dbraw/zinc/34/66/32/354346632.db2.gz DGFXUOYPYBJJPC-ZSAUSMIDSA-N 2 2 286.416 -0.247 20 0 CBADLP C[C@@H]1C[C@H](O)C[NH+](C[C@@H](O)C[N@H+]2C[C@H](C)C[C@@H](O)C2)C1 ZINC000452065790 354346633 /nfs/dbraw/zinc/34/66/33/354346633.db2.gz DGFXUOYPYBJJPC-ZSAUSMIDSA-N 2 2 286.416 -0.247 20 0 CBADLP CN(C[C@@H]1CC[N@H+](C)C1)C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000458323564 354375502 /nfs/dbraw/zinc/37/55/02/354375502.db2.gz XLPVQUZFAALRRU-OLZOCXBDSA-N 2 2 284.404 -0.090 20 0 CBADLP CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000458323564 354375507 /nfs/dbraw/zinc/37/55/07/354375507.db2.gz XLPVQUZFAALRRU-OLZOCXBDSA-N 2 2 284.404 -0.090 20 0 CBADLP CN(C[C@@H]1CC[NH+](C)C1)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000458323564 354375509 /nfs/dbraw/zinc/37/55/09/354375509.db2.gz XLPVQUZFAALRRU-OLZOCXBDSA-N 2 2 284.404 -0.090 20 0 CBADLP CN(C[C@@H]1CC[NH+](C)C1)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000458323564 354375514 /nfs/dbraw/zinc/37/55/14/354375514.db2.gz XLPVQUZFAALRRU-OLZOCXBDSA-N 2 2 284.404 -0.090 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N(C)CC[NH+](C)C)CC1 ZINC000459820254 354390079 /nfs/dbraw/zinc/39/00/79/354390079.db2.gz RYFWTKOZDIQKPG-UHFFFAOYSA-N 2 2 270.377 -0.830 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[NH+](C3CC3)CC2)CC1 ZINC000459828484 354390918 /nfs/dbraw/zinc/39/09/18/354390918.db2.gz ZPMPYDMZYDIVGU-UHFFFAOYSA-N 2 2 294.399 -0.543 20 0 CBADLP C[NH+](C)CCOCCNC(=O)NCCn1cc[nH+]c1 ZINC000471651843 354402623 /nfs/dbraw/zinc/40/26/23/354402623.db2.gz GUXFLTTVEVLOHK-UHFFFAOYSA-N 2 2 269.349 -0.240 20 0 CBADLP C[C@@H](CC(N)=O)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000340252952 215507711 /nfs/dbraw/zinc/50/77/11/215507711.db2.gz QDEAEFJDAGZUGX-NSHDSACASA-N 2 2 299.419 -0.425 20 0 CBADLP CC[N@H+](CCO)CCNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493110392 354488978 /nfs/dbraw/zinc/48/89/78/354488978.db2.gz ABVUUSCGYXRUSK-ONEGZZNKSA-N 2 2 252.318 -0.147 20 0 CBADLP CC[N@@H+](CCO)CCNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493110392 354488982 /nfs/dbraw/zinc/48/89/82/354488982.db2.gz ABVUUSCGYXRUSK-ONEGZZNKSA-N 2 2 252.318 -0.147 20 0 CBADLP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@H](C)[NH+]1CCN(C)CC1 ZINC000520409788 354566875 /nfs/dbraw/zinc/56/68/75/354566875.db2.gz XBLQHNUVIRWIML-SRVKXCTJSA-N 2 2 256.394 -0.136 20 0 CBADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000520416898 354567868 /nfs/dbraw/zinc/56/78/68/354567868.db2.gz XNJJDLGDEZHITR-CQSZACIVSA-N 2 2 269.389 -0.099 20 0 CBADLP C[NH2+]C[C@@](C)(O)C[N@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000520416898 354567870 /nfs/dbraw/zinc/56/78/70/354567870.db2.gz XNJJDLGDEZHITR-CQSZACIVSA-N 2 2 269.389 -0.099 20 0 CBADLP C[C@@H]1C[C@H](C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])CCO1 ZINC000521999033 354570379 /nfs/dbraw/zinc/57/03/79/354570379.db2.gz VPXPXLHFRFTOKV-UTUOFQBUSA-N 2 2 255.362 -0.097 20 0 CBADLP C[C@@H]1C[C@H](C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])CCO1 ZINC000521999033 354570382 /nfs/dbraw/zinc/57/03/82/354570382.db2.gz VPXPXLHFRFTOKV-UTUOFQBUSA-N 2 2 255.362 -0.097 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N1CC(C[NH+]2CCOCC2)C1 ZINC000529412910 354585585 /nfs/dbraw/zinc/58/55/85/354585585.db2.gz JWPJSKXQAITDQN-UHFFFAOYSA-N 2 2 278.356 -0.018 20 0 CBADLP C[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@H]1CCNC1=O ZINC000535379775 354601832 /nfs/dbraw/zinc/60/18/32/354601832.db2.gz BCDZGOBUGOZLCL-ZDUSSCGKSA-N 2 2 294.399 -0.450 20 0 CBADLP C[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@H]1CCNC1=O ZINC000535379775 354601834 /nfs/dbraw/zinc/60/18/34/354601834.db2.gz BCDZGOBUGOZLCL-ZDUSSCGKSA-N 2 2 294.399 -0.450 20 0 CBADLP CC(C)(C(N)=O)[NH+]1CCN(c2cc[nH+]cc2C(N)=O)CC1 ZINC000547286180 354657804 /nfs/dbraw/zinc/65/78/04/354657804.db2.gz QKHFGBJNZKNSRF-UHFFFAOYSA-N 2 2 291.355 -0.434 20 0 CBADLP CNS(=O)(=O)[C@@H]1CC[N@H+](CCn2cc[nH+]c2)C1 ZINC000536561714 354607611 /nfs/dbraw/zinc/60/76/11/354607611.db2.gz HPOWCIPYQNDLEF-SNVBAGLBSA-N 2 2 258.347 -0.493 20 0 CBADLP CNS(=O)(=O)[C@@H]1CC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000536561714 354607613 /nfs/dbraw/zinc/60/76/13/354607613.db2.gz HPOWCIPYQNDLEF-SNVBAGLBSA-N 2 2 258.347 -0.493 20 0 CBADLP CC(C)N1C[C@H](NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])CC1=O ZINC000557167167 354685223 /nfs/dbraw/zinc/68/52/23/354685223.db2.gz JZUXRCIZXVNEEA-VXGBXAGGSA-N 2 2 297.403 -0.720 20 0 CBADLP CC(C)N1C[C@H](NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])CC1=O ZINC000557167167 354685225 /nfs/dbraw/zinc/68/52/25/354685225.db2.gz JZUXRCIZXVNEEA-VXGBXAGGSA-N 2 2 297.403 -0.720 20 0 CBADLP CC[C@@H]1OCC[C@H]1NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000557207995 354685354 /nfs/dbraw/zinc/68/53/54/354685354.db2.gz LIUKLDHMFKBDRG-UTUOFQBUSA-N 2 2 270.377 -0.162 20 0 CBADLP CC[C@@H]1OCC[C@H]1NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000557207995 354685357 /nfs/dbraw/zinc/68/53/57/354685357.db2.gz LIUKLDHMFKBDRG-UTUOFQBUSA-N 2 2 270.377 -0.162 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N[C@H]1CCC[NH2+]C1 ZINC000557151132 354685540 /nfs/dbraw/zinc/68/55/40/354685540.db2.gz KCHXHDGDKQXIEE-RYUDHWBXSA-N 2 2 270.377 -0.242 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)N[C@H]1CCC[NH2+]C1 ZINC000557151132 354685542 /nfs/dbraw/zinc/68/55/42/354685542.db2.gz KCHXHDGDKQXIEE-RYUDHWBXSA-N 2 2 270.377 -0.242 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)Cn1cc[nH+]c1 ZINC000558643773 354686458 /nfs/dbraw/zinc/68/64/58/354686458.db2.gz ILUMVDKTFSRXNM-UHFFFAOYSA-N 2 2 252.318 -0.326 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000562798874 354688004 /nfs/dbraw/zinc/68/80/04/354688004.db2.gz YGBDJLGYZOBAMX-RDBSUJKOSA-N 2 2 296.415 -0.042 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000562798874 354688007 /nfs/dbraw/zinc/68/80/07/354688007.db2.gz YGBDJLGYZOBAMX-RDBSUJKOSA-N 2 2 296.415 -0.042 20 0 CBADLP COCC[C@@H](C)NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000562797121 354688226 /nfs/dbraw/zinc/68/82/26/354688226.db2.gz WIJDKYZLTKZWAF-MNOVXSKESA-N 2 2 258.366 -0.304 20 0 CBADLP COCC[C@@H](C)NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000562797121 354688230 /nfs/dbraw/zinc/68/82/30/354688230.db2.gz WIJDKYZLTKZWAF-MNOVXSKESA-N 2 2 258.366 -0.304 20 0 CBADLP COCC[C@H](C)NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000562797122 354688325 /nfs/dbraw/zinc/68/83/25/354688325.db2.gz WIJDKYZLTKZWAF-QWRGUYRKSA-N 2 2 258.366 -0.304 20 0 CBADLP COCC[C@H](C)NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000562797122 354688328 /nfs/dbraw/zinc/68/83/28/354688328.db2.gz WIJDKYZLTKZWAF-QWRGUYRKSA-N 2 2 258.366 -0.304 20 0 CBADLP CO[C@H](C[NH3+])C(=O)Nc1ccc(-c2n[nH]c(C[NH3+])n2)cc1 ZINC000563107607 354696954 /nfs/dbraw/zinc/69/69/54/354696954.db2.gz RUYJQDYWBWSUTQ-SNVBAGLBSA-N 2 2 290.327 -0.157 20 0 CBADLP Cn1ccc(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)n1 ZINC000563137716 354698449 /nfs/dbraw/zinc/69/84/49/354698449.db2.gz KOQJZUNKFYNEGK-ZDUSSCGKSA-N 2 2 277.372 -0.184 20 0 CBADLP Cn1ccc(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)n1 ZINC000563137716 354698451 /nfs/dbraw/zinc/69/84/51/354698451.db2.gz KOQJZUNKFYNEGK-ZDUSSCGKSA-N 2 2 277.372 -0.184 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)c2cn(CCC[NH3+])nn2)CCO1 ZINC000563198868 354701622 /nfs/dbraw/zinc/70/16/22/354701622.db2.gz PITMSVZFZBPETR-LLVKDONJSA-N 2 2 296.375 -0.923 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)c2cn(CCC[NH3+])nn2)CCO1 ZINC000563198868 354701626 /nfs/dbraw/zinc/70/16/26/354701626.db2.gz PITMSVZFZBPETR-LLVKDONJSA-N 2 2 296.375 -0.923 20 0 CBADLP C[C@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC[N@@H+]1CCO ZINC000563204836 354702898 /nfs/dbraw/zinc/70/28/98/354702898.db2.gz WQKCFNXTTKULFF-QWHCGFSZSA-N 2 2 292.383 -0.030 20 0 CBADLP C[C@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC[N@H+]1CCO ZINC000563204836 354702900 /nfs/dbraw/zinc/70/29/00/354702900.db2.gz WQKCFNXTTKULFF-QWHCGFSZSA-N 2 2 292.383 -0.030 20 0 CBADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)N(C)Cc2cnn(C)c2)C1 ZINC000563216249 354702941 /nfs/dbraw/zinc/70/29/41/354702941.db2.gz UQRGJZGKJZKCBX-GFCCVEGCSA-N 2 2 279.388 -0.080 20 0 CBADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)N(C)Cc2cnn(C)c2)C1 ZINC000563216249 354702944 /nfs/dbraw/zinc/70/29/44/354702944.db2.gz UQRGJZGKJZKCBX-GFCCVEGCSA-N 2 2 279.388 -0.080 20 0 CBADLP C[NH2+][C@@H](C)C(=O)N1CC[N@H+](CCC(=O)OC)[C@H](C)C1 ZINC000565215089 354733175 /nfs/dbraw/zinc/73/31/75/354733175.db2.gz SDATWWGKSKZXFW-MNOVXSKESA-N 2 2 271.361 -0.310 20 0 CBADLP C[NH2+][C@@H](C)C(=O)N1CC[N@@H+](CCC(=O)OC)[C@H](C)C1 ZINC000565215089 354733176 /nfs/dbraw/zinc/73/31/76/354733176.db2.gz SDATWWGKSKZXFW-MNOVXSKESA-N 2 2 271.361 -0.310 20 0 CBADLP O[C@H](C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)CN1CCOCC1 ZINC000564202835 354710919 /nfs/dbraw/zinc/71/09/19/354710919.db2.gz CGZGYUAWMXSASW-VXGBXAGGSA-N 2 2 280.372 -0.450 20 0 CBADLP O[C@H](C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)CN1CCOCC1 ZINC000564202835 354710922 /nfs/dbraw/zinc/71/09/22/354710922.db2.gz CGZGYUAWMXSASW-VXGBXAGGSA-N 2 2 280.372 -0.450 20 0 CBADLP O[C@@H](C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)CN1CCOCC1 ZINC000564202831 354710950 /nfs/dbraw/zinc/71/09/50/354710950.db2.gz CGZGYUAWMXSASW-NEPJUHHUSA-N 2 2 280.372 -0.450 20 0 CBADLP O[C@@H](C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)CN1CCOCC1 ZINC000564202831 354710954 /nfs/dbraw/zinc/71/09/54/354710954.db2.gz CGZGYUAWMXSASW-NEPJUHHUSA-N 2 2 280.372 -0.450 20 0 CBADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]C[C@@H](O)CO)c2cc1C ZINC000564101459 354711193 /nfs/dbraw/zinc/71/11/93/354711193.db2.gz ICSAHPBOKFPRMV-QWHCGFSZSA-N 2 2 293.367 -0.043 20 0 CBADLP C[C@H](C(=O)N(C)[C@H]1CC[NH2+]C1)[NH+]1CCN(C)CC1 ZINC000564656959 354714413 /nfs/dbraw/zinc/71/44/13/354714413.db2.gz OYIVHMKFMYTSNF-NEPJUHHUSA-N 2 2 254.378 -0.557 20 0 CBADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CCc2ncn(C)n2)C[C@H](C)O1 ZINC000564722027 354715546 /nfs/dbraw/zinc/71/55/46/354715546.db2.gz IBMYRXVPNLMGFH-XQQFMLRXSA-N 2 2 297.403 -0.583 20 0 CBADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CCc2ncn(C)n2)C[C@H](C)O1 ZINC000564722027 354715550 /nfs/dbraw/zinc/71/55/50/354715550.db2.gz IBMYRXVPNLMGFH-XQQFMLRXSA-N 2 2 297.403 -0.583 20 0 CBADLP C[C@H]([NH2+]CC(=O)N1CC[NH2+]CC1)[C@@H]1CCCC[NH2+]1 ZINC000564822632 354717360 /nfs/dbraw/zinc/71/73/60/354717360.db2.gz OVIIFZCJBCPBMO-RYUDHWBXSA-N 3 2 254.378 -0.462 20 0 CBADLP CC1(C)C[N@H+](CCNC(=O)COC2CC[NH2+]CC2)CCO1 ZINC000564896960 354719113 /nfs/dbraw/zinc/71/91/13/354719113.db2.gz CXBWQGDIPOALPQ-UHFFFAOYSA-N 2 2 299.415 -0.018 20 0 CBADLP CC1(C)C[N@@H+](CCNC(=O)COC2CC[NH2+]CC2)CCO1 ZINC000564896960 354719117 /nfs/dbraw/zinc/71/91/17/354719117.db2.gz CXBWQGDIPOALPQ-UHFFFAOYSA-N 2 2 299.415 -0.018 20 0 CBADLP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000564922426 354720573 /nfs/dbraw/zinc/72/05/73/354720573.db2.gz HGSKGNPLGUNMQC-WOPDTQHZSA-N 2 2 255.362 -0.179 20 0 CBADLP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000564922426 354720578 /nfs/dbraw/zinc/72/05/78/354720578.db2.gz HGSKGNPLGUNMQC-WOPDTQHZSA-N 2 2 255.362 -0.179 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000564986663 354724869 /nfs/dbraw/zinc/72/48/69/354724869.db2.gz BTSOWMQTJRNGAE-ZIAGYGMSSA-N 3 2 280.416 -0.308 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000564986663 354724873 /nfs/dbraw/zinc/72/48/73/354724873.db2.gz BTSOWMQTJRNGAE-ZIAGYGMSSA-N 3 2 280.416 -0.308 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000565154564 354728995 /nfs/dbraw/zinc/72/89/95/354728995.db2.gz BICTZCMCNBUDHN-NWDGAFQWSA-N 2 2 258.362 -0.618 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N2CCN(c3[nH]cc[nH+]3)CC2)C1 ZINC000547734123 354666842 /nfs/dbraw/zinc/66/68/42/354666842.db2.gz AAHUITDZTOXEFF-LLVKDONJSA-N 2 2 279.344 -0.611 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N2CCN(c3[nH]cc[nH+]3)CC2)C1 ZINC000547734123 354666849 /nfs/dbraw/zinc/66/68/49/354666849.db2.gz AAHUITDZTOXEFF-LLVKDONJSA-N 2 2 279.344 -0.611 20 0 CBADLP C[N@@H+]1CC[C@](O)(CNC(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000548000929 354673874 /nfs/dbraw/zinc/67/38/74/354673874.db2.gz MMJKUGLXUMTHGX-FZMZJTMJSA-N 2 2 293.371 -0.436 20 0 CBADLP C[N@H+]1CC[C@](O)(CNC(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000548000929 354673878 /nfs/dbraw/zinc/67/38/78/354673878.db2.gz MMJKUGLXUMTHGX-FZMZJTMJSA-N 2 2 293.371 -0.436 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000556311431 354679457 /nfs/dbraw/zinc/67/94/57/354679457.db2.gz GHZSWDSADMSAEV-LBPRGKRZSA-N 2 2 295.387 -0.202 20 0 CBADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]C[C@@H](O)C2CC2)C[C@H](C)O1 ZINC000565775416 354745424 /nfs/dbraw/zinc/74/54/24/354745424.db2.gz RSVFCXDDHRDVGN-ZMJPVWNMSA-N 2 2 272.389 -0.183 20 0 CBADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]C[C@@H](O)C2CC2)C[C@H](C)O1 ZINC000565775416 354745426 /nfs/dbraw/zinc/74/54/26/354745426.db2.gz RSVFCXDDHRDVGN-ZMJPVWNMSA-N 2 2 272.389 -0.183 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](CN2CCOCC2)C1 ZINC000565930931 354748518 /nfs/dbraw/zinc/74/85/18/354748518.db2.gz ZXGXOLUJJDKILU-HUUCEWRRSA-N 2 2 285.432 -0.047 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](CN2CCOCC2)C1 ZINC000565930931 354748523 /nfs/dbraw/zinc/74/85/23/354748523.db2.gz ZXGXOLUJJDKILU-HUUCEWRRSA-N 2 2 285.432 -0.047 20 0 CBADLP C[N@H+]1CCN(C(=O)[C@H]2CC(=O)N(C3CC3)C2)[C@H](C[NH3+])C1 ZINC000565948712 354748818 /nfs/dbraw/zinc/74/88/18/354748818.db2.gz HHVUAAZQAATVMB-CMPLNLGQSA-N 2 2 280.372 -0.901 20 0 CBADLP COC(=O)CNC(=O)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000566017833 354750441 /nfs/dbraw/zinc/75/04/41/354750441.db2.gz MHFRTUAUBOCSEP-JTQLQIEISA-N 2 2 280.328 -0.501 20 0 CBADLP COC(=O)CNC(=O)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000566017833 354750443 /nfs/dbraw/zinc/75/04/43/354750443.db2.gz MHFRTUAUBOCSEP-JTQLQIEISA-N 2 2 280.328 -0.501 20 0 CBADLP CC[NH2+]CCCNC(=O)[C@H](C)[NH+]1CCN(C)CC1 ZINC000566010444 354751028 /nfs/dbraw/zinc/75/10/28/354751028.db2.gz WMYSJYGDPIXPNT-LBPRGKRZSA-N 2 2 256.394 -0.262 20 0 CBADLP Cc1cc(COCC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])on1 ZINC000566200541 354756660 /nfs/dbraw/zinc/75/66/60/354756660.db2.gz ZKRHDUQILBNQAQ-NSHDSACASA-N 2 2 282.344 -0.399 20 0 CBADLP Cc1cc(COCC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])on1 ZINC000566200541 354756663 /nfs/dbraw/zinc/75/66/63/354756663.db2.gz ZKRHDUQILBNQAQ-NSHDSACASA-N 2 2 282.344 -0.399 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000566211291 354757296 /nfs/dbraw/zinc/75/72/96/354757296.db2.gz IULHOFKUTVXRKD-IUODEOHRSA-N 2 2 298.431 -0.114 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000566211291 354757301 /nfs/dbraw/zinc/75/73/01/354757301.db2.gz IULHOFKUTVXRKD-IUODEOHRSA-N 2 2 298.431 -0.114 20 0 CBADLP C[C@@H](C[NH2+]C[C@@H](O)C[NH+]1CCCCC1)S(C)(=O)=O ZINC000566232060 354758191 /nfs/dbraw/zinc/75/81/91/354758191.db2.gz YEHNWUODVWVACK-NWDGAFQWSA-N 2 2 278.418 -0.144 20 0 CBADLP C[C@@H]1CC[N@H+](CC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000566441716 354766729 /nfs/dbraw/zinc/76/67/29/354766729.db2.gz JQQDJEYJQMUUNY-ZIAGYGMSSA-N 2 2 299.415 -0.520 20 0 CBADLP C[C@@H]1CC[N@@H+](CC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000566441716 354766730 /nfs/dbraw/zinc/76/67/30/354766730.db2.gz JQQDJEYJQMUUNY-ZIAGYGMSSA-N 2 2 299.415 -0.520 20 0 CBADLP C[C@H]1CC[N@H+](CC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000566441715 354766790 /nfs/dbraw/zinc/76/67/90/354766790.db2.gz JQQDJEYJQMUUNY-UONOGXRCSA-N 2 2 299.415 -0.520 20 0 CBADLP C[C@H]1CC[N@@H+](CC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000566441715 354766793 /nfs/dbraw/zinc/76/67/93/354766793.db2.gz JQQDJEYJQMUUNY-UONOGXRCSA-N 2 2 299.415 -0.520 20 0 CBADLP OCC1(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)COC1 ZINC000566745960 354774643 /nfs/dbraw/zinc/77/46/43/354774643.db2.gz OZUYJYPQKQBQOD-UHFFFAOYSA-N 2 2 252.318 -0.459 20 0 CBADLP CC[C@@H](C)[N@H+](C)CCNC[C@@H](O)CN1CC[NH+](C)CC1 ZINC000567262422 354784265 /nfs/dbraw/zinc/78/42/65/354784265.db2.gz OAOXPKWFCHJEGB-HUUCEWRRSA-N 2 2 286.464 -0.085 20 0 CBADLP CC[C@@H](C)[N@@H+](C)CCNC[C@@H](O)CN1CC[NH+](C)CC1 ZINC000567262422 354784266 /nfs/dbraw/zinc/78/42/66/354784266.db2.gz OAOXPKWFCHJEGB-HUUCEWRRSA-N 2 2 286.464 -0.085 20 0 CBADLP CC1(C)C[NH+](CC(=O)NCC[NH+]2CCC(O)CC2)C1 ZINC000567486798 354788617 /nfs/dbraw/zinc/78/86/17/354788617.db2.gz VMOFUKXWKSAZMG-UHFFFAOYSA-N 2 2 269.389 -0.099 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000565489187 354739628 /nfs/dbraw/zinc/73/96/28/354739628.db2.gz OXEAQVWZGRMZRB-KGLIPLIRSA-N 2 2 297.403 -0.280 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000565489187 354739629 /nfs/dbraw/zinc/73/96/29/354739629.db2.gz OXEAQVWZGRMZRB-KGLIPLIRSA-N 2 2 297.403 -0.280 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000565489187 354739630 /nfs/dbraw/zinc/73/96/30/354739630.db2.gz OXEAQVWZGRMZRB-KGLIPLIRSA-N 2 2 297.403 -0.280 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000565489187 354739631 /nfs/dbraw/zinc/73/96/31/354739631.db2.gz OXEAQVWZGRMZRB-KGLIPLIRSA-N 2 2 297.403 -0.280 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000565545089 354740757 /nfs/dbraw/zinc/74/07/57/354740757.db2.gz TYTZKAUFTYZWSK-WZRBSPASSA-N 2 2 253.346 -0.425 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000565545089 354740759 /nfs/dbraw/zinc/74/07/59/354740759.db2.gz TYTZKAUFTYZWSK-WZRBSPASSA-N 2 2 253.346 -0.425 20 0 CBADLP C[C@H]1CC[N@H+](CC(=O)N2CC[NH+](CCO)[C@H](C)C2)C1 ZINC000565606522 354742114 /nfs/dbraw/zinc/74/21/14/354742114.db2.gz BROSEVKAHUGVSK-QWHCGFSZSA-N 2 2 269.389 -0.147 20 0 CBADLP C[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](CCO)[C@H](C)C2)C1 ZINC000565606522 354742116 /nfs/dbraw/zinc/74/21/16/354742116.db2.gz BROSEVKAHUGVSK-QWHCGFSZSA-N 2 2 269.389 -0.147 20 0 CBADLP C[C@H]1CC[NH+](CC(=O)N2CC[N@H+](CCO)[C@H](C)C2)C1 ZINC000565606522 354742118 /nfs/dbraw/zinc/74/21/18/354742118.db2.gz BROSEVKAHUGVSK-QWHCGFSZSA-N 2 2 269.389 -0.147 20 0 CBADLP C[C@H]1CC[NH+](CC(=O)N2CC[N@@H+](CCO)[C@H](C)C2)C1 ZINC000565606522 354742120 /nfs/dbraw/zinc/74/21/20/354742120.db2.gz BROSEVKAHUGVSK-QWHCGFSZSA-N 2 2 269.389 -0.147 20 0 CBADLP CNC(=O)[C@@H]1CCCC[N@@H+]1C[C@H](O)C[NH+](C)CCOC ZINC000567565691 354790372 /nfs/dbraw/zinc/79/03/72/354790372.db2.gz ZDVNPWVNTYDXJD-OLZOCXBDSA-N 2 2 287.404 -0.474 20 0 CBADLP CNC(=O)[C@@H]1CCCC[N@H+]1C[C@H](O)C[NH+](C)CCOC ZINC000567565691 354790376 /nfs/dbraw/zinc/79/03/76/354790376.db2.gz ZDVNPWVNTYDXJD-OLZOCXBDSA-N 2 2 287.404 -0.474 20 0 CBADLP CNC(=O)[C@@H]1CCCC[NH+]1C[C@H](O)C[N@H+](C)CCOC ZINC000567565691 354790378 /nfs/dbraw/zinc/79/03/78/354790378.db2.gz ZDVNPWVNTYDXJD-OLZOCXBDSA-N 2 2 287.404 -0.474 20 0 CBADLP CNC(=O)[C@@H]1CCCC[NH+]1C[C@H](O)C[N@@H+](C)CCOC ZINC000567565691 354790382 /nfs/dbraw/zinc/79/03/82/354790382.db2.gz ZDVNPWVNTYDXJD-OLZOCXBDSA-N 2 2 287.404 -0.474 20 0 CBADLP C[C@H]1CCN(C(=O)C(=O)NC2C[NH2+]C2)C[C@@H]1n1cc[nH+]c1 ZINC000565647996 354743404 /nfs/dbraw/zinc/74/34/04/354743404.db2.gz KDDRADIWYSACET-JQWIXIFHSA-N 2 2 291.355 -0.619 20 0 CBADLP CC[C@@H]1C[C@@H](C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])CC(=O)N1 ZINC000567830128 354800011 /nfs/dbraw/zinc/80/00/11/354800011.db2.gz QNOVEODPTJZUBC-IJLUTSLNSA-N 2 2 282.388 -0.608 20 0 CBADLP CC[C@@H]1C[C@@H](C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])CC(=O)N1 ZINC000567830128 354800013 /nfs/dbraw/zinc/80/00/13/354800013.db2.gz QNOVEODPTJZUBC-IJLUTSLNSA-N 2 2 282.388 -0.608 20 0 CBADLP C[C@H](c1nnnn1C)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000567895470 354803518 /nfs/dbraw/zinc/80/35/18/354803518.db2.gz KJPGWCRYZUHEEC-GHMZBOCLSA-N 2 2 280.376 -0.042 20 0 CBADLP C[C@H](c1nnnn1C)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000567895470 354803521 /nfs/dbraw/zinc/80/35/21/354803521.db2.gz KJPGWCRYZUHEEC-GHMZBOCLSA-N 2 2 280.376 -0.042 20 0 CBADLP C[C@@H](c1nnnn1C)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000567895472 354803715 /nfs/dbraw/zinc/80/37/15/354803715.db2.gz KJPGWCRYZUHEEC-QWRGUYRKSA-N 2 2 280.376 -0.042 20 0 CBADLP C[C@@H](c1nnnn1C)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000567895472 354803716 /nfs/dbraw/zinc/80/37/16/354803716.db2.gz KJPGWCRYZUHEEC-QWRGUYRKSA-N 2 2 280.376 -0.042 20 0 CBADLP O=C(C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1)Nc1ccncc1 ZINC000567990194 354807164 /nfs/dbraw/zinc/80/71/64/354807164.db2.gz GBRIPMMELSMHML-AWEZNQCLSA-N 2 2 289.383 -0.579 20 0 CBADLP O=C(C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1)Nc1ccncc1 ZINC000567990194 354807169 /nfs/dbraw/zinc/80/71/69/354807169.db2.gz GBRIPMMELSMHML-AWEZNQCLSA-N 2 2 289.383 -0.579 20 0 CBADLP CC(C)(C)CCNC(=O)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000568267631 354819577 /nfs/dbraw/zinc/81/95/77/354819577.db2.gz KAYULECWVJONFF-NEPJUHHUSA-N 2 2 296.415 -0.217 20 0 CBADLP CC(C)(C)CCNC(=O)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000568267631 354819579 /nfs/dbraw/zinc/81/95/79/354819579.db2.gz KAYULECWVJONFF-NEPJUHHUSA-N 2 2 296.415 -0.217 20 0 CBADLP CC[N@H+](CCN1CC[NH2+]CC1)[C@H](C)CS(C)(=O)=O ZINC000568632372 354828251 /nfs/dbraw/zinc/82/82/51/354828251.db2.gz OVRRHNAFYSDRGQ-GFCCVEGCSA-N 2 2 277.434 -0.353 20 0 CBADLP CC[N@@H+](CCN1CC[NH2+]CC1)[C@H](C)CS(C)(=O)=O ZINC000568632372 354828254 /nfs/dbraw/zinc/82/82/54/354828254.db2.gz OVRRHNAFYSDRGQ-GFCCVEGCSA-N 2 2 277.434 -0.353 20 0 CBADLP COc1c(N)[nH+]cnc1N1CCC([NH2+]CCO)CC1 ZINC000568651058 354829887 /nfs/dbraw/zinc/82/98/87/354829887.db2.gz HBUAMWMRVRENDX-UHFFFAOYSA-N 2 2 267.333 -0.382 20 0 CBADLP COc1c(N)nc[nH+]c1N1CCC([NH2+]CCO)CC1 ZINC000568651058 354829892 /nfs/dbraw/zinc/82/98/92/354829892.db2.gz HBUAMWMRVRENDX-UHFFFAOYSA-N 2 2 267.333 -0.382 20 0 CBADLP C[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)C1(S(C)(=O)=O)CC1 ZINC000568859887 354832661 /nfs/dbraw/zinc/83/26/61/354832661.db2.gz ZTDDODNUTBLHEN-PWSUYJOCSA-N 2 2 290.429 -0.003 20 0 CBADLP C[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)C1(S(C)(=O)=O)CC1 ZINC000568859887 354832664 /nfs/dbraw/zinc/83/26/64/354832664.db2.gz ZTDDODNUTBLHEN-PWSUYJOCSA-N 2 2 290.429 -0.003 20 0 CBADLP C[N@H+](C[C@@H](O)C[NH2+]CCNC(=O)c1ccn[nH]1)C1CC1 ZINC000567710810 354794672 /nfs/dbraw/zinc/79/46/72/354794672.db2.gz SMSCGULXWLRYKY-NSHDSACASA-N 2 2 281.360 -0.816 20 0 CBADLP C[N@@H+](C[C@@H](O)C[NH2+]CCNC(=O)c1ccn[nH]1)C1CC1 ZINC000567710810 354794674 /nfs/dbraw/zinc/79/46/74/354794674.db2.gz SMSCGULXWLRYKY-NSHDSACASA-N 2 2 281.360 -0.816 20 0 CBADLP CO[C@H](C[NH3+])CC(=O)N(C)CC[NH+]1CCOCC1 ZINC000567765267 354796582 /nfs/dbraw/zinc/79/65/82/354796582.db2.gz OVCRPEVDYUVWLB-NSHDSACASA-N 2 2 259.350 -0.859 20 0 CBADLP COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)C[NH3+])C1 ZINC000570839835 354870441 /nfs/dbraw/zinc/87/04/41/354870441.db2.gz OZJJGYYASWBBRY-NSHDSACASA-N 2 2 285.388 -0.028 20 0 CBADLP COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)C[NH3+])C1 ZINC000570839835 354870443 /nfs/dbraw/zinc/87/04/43/354870443.db2.gz OZJJGYYASWBBRY-NSHDSACASA-N 2 2 285.388 -0.028 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@](C)(C(N)=O)C1 ZINC000569235186 354840900 /nfs/dbraw/zinc/84/09/00/354840900.db2.gz QLOSHDSTWBXJCQ-WCQYABFASA-N 2 2 273.377 -0.877 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@](C)(C(N)=O)C1 ZINC000569235186 354840903 /nfs/dbraw/zinc/84/09/03/354840903.db2.gz QLOSHDSTWBXJCQ-WCQYABFASA-N 2 2 273.377 -0.877 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000569235186 354840905 /nfs/dbraw/zinc/84/09/05/354840905.db2.gz QLOSHDSTWBXJCQ-WCQYABFASA-N 2 2 273.377 -0.877 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000569235186 354840907 /nfs/dbraw/zinc/84/09/07/354840907.db2.gz QLOSHDSTWBXJCQ-WCQYABFASA-N 2 2 273.377 -0.877 20 0 CBADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@@H](S(=O)(=O)NC(C)C)C1 ZINC000569854569 354848449 /nfs/dbraw/zinc/84/84/49/354848449.db2.gz GCPFCUJDPCDYDC-NEPJUHHUSA-N 2 2 293.433 -0.641 20 0 CBADLP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@@H](S(=O)(=O)NC(C)C)C1 ZINC000569854569 354848452 /nfs/dbraw/zinc/84/84/52/354848452.db2.gz GCPFCUJDPCDYDC-NEPJUHHUSA-N 2 2 293.433 -0.641 20 0 CBADLP COCC(COC)[NH+]1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000569935054 354850254 /nfs/dbraw/zinc/85/02/54/354850254.db2.gz WWTQYAYISVNVOG-UHFFFAOYSA-N 2 2 296.371 -0.311 20 0 CBADLP C[C@@H]1C[C@@H](NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])CO1 ZINC000570088615 354853504 /nfs/dbraw/zinc/85/35/04/354853504.db2.gz HYPOFRQDRBXGAY-GMTAPVOTSA-N 2 2 256.350 -0.552 20 0 CBADLP C[C@@H]1C[C@@H](NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])CO1 ZINC000570088615 354853506 /nfs/dbraw/zinc/85/35/06/354853506.db2.gz HYPOFRQDRBXGAY-GMTAPVOTSA-N 2 2 256.350 -0.552 20 0 CBADLP [NH3+][C@H]1C[C@@H]2C[N@H+](CCOCC(F)F)CCN2C1=O ZINC000570108384 354854441 /nfs/dbraw/zinc/85/44/41/354854441.db2.gz VIPCOZLVPXXJBS-BDAKNGLRSA-N 2 2 263.288 -0.488 20 0 CBADLP [NH3+][C@H]1C[C@@H]2C[N@@H+](CCOCC(F)F)CCN2C1=O ZINC000570108384 354854443 /nfs/dbraw/zinc/85/44/43/354854443.db2.gz VIPCOZLVPXXJBS-BDAKNGLRSA-N 2 2 263.288 -0.488 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NC[C@H](C)C[NH3+] ZINC000570161397 354855387 /nfs/dbraw/zinc/85/53/87/354855387.db2.gz LMOCPPNXLYLECP-SNVBAGLBSA-N 2 2 258.366 -0.846 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NC[C@H](C)C[NH3+] ZINC000570161397 354855388 /nfs/dbraw/zinc/85/53/88/354855388.db2.gz LMOCPPNXLYLECP-SNVBAGLBSA-N 2 2 258.366 -0.846 20 0 CBADLP CC(=O)N1CCC[C@@H](C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])C1 ZINC000570278205 354858942 /nfs/dbraw/zinc/85/89/42/354858942.db2.gz QOEDVSOOGRHMQE-CHWSQXEVSA-N 2 2 282.388 -0.654 20 0 CBADLP CC(=O)N1CCC[C@@H](C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])C1 ZINC000570278205 354858947 /nfs/dbraw/zinc/85/89/47/354858947.db2.gz QOEDVSOOGRHMQE-CHWSQXEVSA-N 2 2 282.388 -0.654 20 0 CBADLP C[C@@H]([NH2+][C@@H]1CCN(S(C)(=O)=O)C1)[C@H]1CCC[NH2+]1 ZINC000570574604 354865123 /nfs/dbraw/zinc/86/51/23/354865123.db2.gz QVBGDYUKSAVBQR-GMTAPVOTSA-N 2 2 261.391 -0.250 20 0 CBADLP C[N@@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](C)C[C@@H]1C[NH3+] ZINC000572134355 354887093 /nfs/dbraw/zinc/88/70/93/354887093.db2.gz HCCZGQYZFGFYDZ-RYUDHWBXSA-N 3 2 269.393 -0.635 20 0 CBADLP C[N@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](C)C[C@@H]1C[NH3+] ZINC000572134355 354887095 /nfs/dbraw/zinc/88/70/95/354887095.db2.gz HCCZGQYZFGFYDZ-RYUDHWBXSA-N 3 2 269.393 -0.635 20 0 CBADLP C[NH+]1CCC[C@H]1CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000572134355 354887097 /nfs/dbraw/zinc/88/70/97/354887097.db2.gz HCCZGQYZFGFYDZ-RYUDHWBXSA-N 3 2 269.393 -0.635 20 0 CBADLP C[NH+]1CCC[C@H]1CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000572134355 354887100 /nfs/dbraw/zinc/88/71/00/354887100.db2.gz HCCZGQYZFGFYDZ-RYUDHWBXSA-N 3 2 269.393 -0.635 20 0 CBADLP CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000572180306 354888251 /nfs/dbraw/zinc/88/82/51/354888251.db2.gz UOTVOZOHBWUUCK-WOPDTQHZSA-N 2 2 282.388 -0.515 20 0 CBADLP CC(C)N(C)C(=O)[C@@H](C)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000572180306 354888254 /nfs/dbraw/zinc/88/82/54/354888254.db2.gz UOTVOZOHBWUUCK-WOPDTQHZSA-N 2 2 282.388 -0.515 20 0 CBADLP COC(=O)CCNC(=O)C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000572159383 354888262 /nfs/dbraw/zinc/88/82/62/354888262.db2.gz JUWVYTIZJUDBOF-CYBMUJFWSA-N 2 2 269.345 -0.649 20 0 CBADLP COC(=O)CCNC(=O)C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000572159383 354888266 /nfs/dbraw/zinc/88/82/66/354888266.db2.gz JUWVYTIZJUDBOF-CYBMUJFWSA-N 2 2 269.345 -0.649 20 0 CBADLP [NH3+]C1CCC(OCC(=O)N2CC[NH+](CCO)CC2)CC1 ZINC000572638876 354894277 /nfs/dbraw/zinc/89/42/77/354894277.db2.gz DWAJVNRFXKENEG-UHFFFAOYSA-N 2 2 285.388 -0.591 20 0 CBADLP CN(C)c1ncc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)s1 ZINC000572781213 354898033 /nfs/dbraw/zinc/89/80/33/354898033.db2.gz FWILYOVWELCANV-GXSJLCMTSA-N 2 2 295.412 -0.047 20 0 CBADLP CN(C)c1ncc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)s1 ZINC000572781213 354898036 /nfs/dbraw/zinc/89/80/36/354898036.db2.gz FWILYOVWELCANV-GXSJLCMTSA-N 2 2 295.412 -0.047 20 0 CBADLP [NH3+][C@@H](C(=O)NCCC[NH+]1CCOCC1)c1cscn1 ZINC000572995432 354903166 /nfs/dbraw/zinc/90/31/66/354903166.db2.gz CZNOSYKIOXVTEP-LLVKDONJSA-N 2 2 284.385 -0.019 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC(C(C)(C)O)C1 ZINC000573020519 354903907 /nfs/dbraw/zinc/90/39/07/354903907.db2.gz NWIJJWIPHFOCRF-LBPRGKRZSA-N 2 2 260.378 -0.372 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC(C(C)(C)O)C1 ZINC000573020519 354903911 /nfs/dbraw/zinc/90/39/11/354903911.db2.gz NWIJJWIPHFOCRF-LBPRGKRZSA-N 2 2 260.378 -0.372 20 0 CBADLP Cc1c[nH+]c(C)nc1N1CCO[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC000573138829 354906260 /nfs/dbraw/zinc/90/62/60/354906260.db2.gz STRSWWLPLQTEEK-LBPRGKRZSA-N 2 2 293.371 -0.284 20 0 CBADLP Cc1c[nH+]c(C)nc1N1CCO[C@@H](C[N@H+](C)CC(N)=O)C1 ZINC000573138829 354906263 /nfs/dbraw/zinc/90/62/63/354906263.db2.gz STRSWWLPLQTEEK-LBPRGKRZSA-N 2 2 293.371 -0.284 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000573248025 354908889 /nfs/dbraw/zinc/90/88/89/354908889.db2.gz ZHQZTRTXABAJEQ-ZJUUUORDSA-N 2 2 258.366 -0.705 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000573248025 354908895 /nfs/dbraw/zinc/90/88/95/354908895.db2.gz ZHQZTRTXABAJEQ-ZJUUUORDSA-N 2 2 258.366 -0.705 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000573248022 354909279 /nfs/dbraw/zinc/90/92/79/354909279.db2.gz ZHQZTRTXABAJEQ-NXEZZACHSA-N 2 2 258.366 -0.705 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000573248022 354909281 /nfs/dbraw/zinc/90/92/81/354909281.db2.gz ZHQZTRTXABAJEQ-NXEZZACHSA-N 2 2 258.366 -0.705 20 0 CBADLP CN1CC[N@H+](C)[C@@H](CNC(=O)CC2(C[NH3+])CC2)C1 ZINC000573362541 354911438 /nfs/dbraw/zinc/91/14/38/354911438.db2.gz HPDONYYMWOQKLP-NSHDSACASA-N 2 2 254.378 -0.523 20 0 CBADLP CN1CC[N@@H+](C)[C@@H](CNC(=O)CC2(C[NH3+])CC2)C1 ZINC000573362541 354911443 /nfs/dbraw/zinc/91/14/43/354911443.db2.gz HPDONYYMWOQKLP-NSHDSACASA-N 2 2 254.378 -0.523 20 0 CBADLP C[C@@H](C(=O)N(C)C1CC([NH3+])C1)[NH+]1CCN(C)CC1 ZINC000573610278 354917941 /nfs/dbraw/zinc/91/79/41/354917941.db2.gz IZECLLRSJZDNMW-UNXYVOJBSA-N 2 2 254.378 -0.430 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](OCCO)C1 ZINC000573455820 354913114 /nfs/dbraw/zinc/91/31/14/354913114.db2.gz RBHVZJJCGYWMMB-KBPBESRZSA-N 2 2 290.404 -0.601 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](OCCO)C1 ZINC000573455820 354913116 /nfs/dbraw/zinc/91/31/16/354913116.db2.gz RBHVZJJCGYWMMB-KBPBESRZSA-N 2 2 290.404 -0.601 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](OCCO)C1 ZINC000573455820 354913121 /nfs/dbraw/zinc/91/31/21/354913121.db2.gz RBHVZJJCGYWMMB-KBPBESRZSA-N 2 2 290.404 -0.601 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](OCCO)C1 ZINC000573455820 354913123 /nfs/dbraw/zinc/91/31/23/354913123.db2.gz RBHVZJJCGYWMMB-KBPBESRZSA-N 2 2 290.404 -0.601 20 0 CBADLP CN(CC1CC1)C(=O)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000573459862 354913565 /nfs/dbraw/zinc/91/35/65/354913565.db2.gz PPFPKBMRKBFZNQ-RYUDHWBXSA-N 2 2 280.372 -0.901 20 0 CBADLP CN(CC1CC1)C(=O)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000573459862 354913567 /nfs/dbraw/zinc/91/35/67/354913567.db2.gz PPFPKBMRKBFZNQ-RYUDHWBXSA-N 2 2 280.372 -0.901 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@H](C)CC[NH3+] ZINC000573605567 354916077 /nfs/dbraw/zinc/91/60/77/354916077.db2.gz GAPIHGUQMLZJEJ-SNVBAGLBSA-N 2 2 258.366 -0.704 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@H](C)CC[NH3+] ZINC000573605567 354916080 /nfs/dbraw/zinc/91/60/80/354916080.db2.gz GAPIHGUQMLZJEJ-SNVBAGLBSA-N 2 2 258.366 -0.704 20 0 CBADLP CCCCNC(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000571821124 354880982 /nfs/dbraw/zinc/88/09/82/354880982.db2.gz KDMDQUBJXBHLSD-GHMZBOCLSA-N 2 2 268.361 -0.854 20 0 CBADLP CN1CC[C@@H]([N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1=O ZINC000571802540 354881349 /nfs/dbraw/zinc/88/13/49/354881349.db2.gz WFBBNXPDXHCVHA-VXGBXAGGSA-N 2 2 280.372 -0.887 20 0 CBADLP CN1CC[C@@H]([N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1=O ZINC000571802540 354881353 /nfs/dbraw/zinc/88/13/53/354881353.db2.gz WFBBNXPDXHCVHA-VXGBXAGGSA-N 2 2 280.372 -0.887 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)Cn1cc[nH+]c1 ZINC000573772009 354920887 /nfs/dbraw/zinc/92/08/87/354920887.db2.gz HFURZPXCZRZILF-LLVKDONJSA-N 2 2 252.318 -0.280 20 0 CBADLP CC(C)CN(CC[NH+](C)C)C(=O)CN1CC[NH2+]CC1=O ZINC000573800013 354921923 /nfs/dbraw/zinc/92/19/23/354921923.db2.gz PHTGHNXPSOULBN-UHFFFAOYSA-N 2 2 284.404 -0.536 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)CC(C)(C)CO ZINC000573860044 354922647 /nfs/dbraw/zinc/92/26/47/354922647.db2.gz KDJKYOSFYBEYDC-LBPRGKRZSA-N 2 2 262.394 -0.124 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)CC(C)(C)CO ZINC000573860044 354922649 /nfs/dbraw/zinc/92/26/49/354922649.db2.gz KDJKYOSFYBEYDC-LBPRGKRZSA-N 2 2 262.394 -0.124 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)CC(C)(C)CO ZINC000573860044 354922650 /nfs/dbraw/zinc/92/26/50/354922650.db2.gz KDJKYOSFYBEYDC-LBPRGKRZSA-N 2 2 262.394 -0.124 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)CC(C)(C)CO ZINC000573860044 354922654 /nfs/dbraw/zinc/92/26/54/354922654.db2.gz KDJKYOSFYBEYDC-LBPRGKRZSA-N 2 2 262.394 -0.124 20 0 CBADLP C[N@H+](Cc1ncccn1)[C@H]1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000574032011 354927112 /nfs/dbraw/zinc/92/71/12/354927112.db2.gz OAFGBSVQMHTPQO-TUAOUCFPSA-N 2 2 275.356 -0.144 20 0 CBADLP C[N@@H+](Cc1ncccn1)[C@H]1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000574032011 354927115 /nfs/dbraw/zinc/92/71/15/354927115.db2.gz OAFGBSVQMHTPQO-TUAOUCFPSA-N 2 2 275.356 -0.144 20 0 CBADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C)[NH2+]C2CC2)CC1 ZINC000575402173 354935565 /nfs/dbraw/zinc/93/55/65/354935565.db2.gz MYESTYXBSCKKAD-GFCCVEGCSA-N 2 2 296.415 -0.203 20 0 CBADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](C)[NH2+]C2CC2)CC1 ZINC000575402173 354935568 /nfs/dbraw/zinc/93/55/68/354935568.db2.gz MYESTYXBSCKKAD-GFCCVEGCSA-N 2 2 296.415 -0.203 20 0 CBADLP C[C@@H](C[NH+](C)C)NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000578226627 354942168 /nfs/dbraw/zinc/94/21/68/354942168.db2.gz LTIHOLAPBNNEBO-WDEREUQCSA-N 3 2 257.382 -0.779 20 0 CBADLP C[C@@H](C[NH+](C)C)NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000578226627 354942170 /nfs/dbraw/zinc/94/21/70/354942170.db2.gz LTIHOLAPBNNEBO-WDEREUQCSA-N 3 2 257.382 -0.779 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000578659121 354951841 /nfs/dbraw/zinc/95/18/41/354951841.db2.gz DFJUCOWYTVGHPI-MCIONIFRSA-N 2 2 269.389 -0.230 20 0 CBADLP CO[C@H]1CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)[C@H](C[NH3+])C1 ZINC000578867978 354956582 /nfs/dbraw/zinc/95/65/82/354956582.db2.gz JWEXCIQSSSISQJ-KBPBESRZSA-N 3 2 298.431 -0.411 20 0 CBADLP CO[C@H]1CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)[C@H](C[NH3+])C1 ZINC000578867978 354956586 /nfs/dbraw/zinc/95/65/86/354956586.db2.gz JWEXCIQSSSISQJ-KBPBESRZSA-N 3 2 298.431 -0.411 20 0 CBADLP CCC[NH2+]CCNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000579212154 354964413 /nfs/dbraw/zinc/96/44/13/354964413.db2.gz CSAIOHFSAJPLLG-LLVKDONJSA-N 3 2 257.382 -0.730 20 0 CBADLP CCC[NH2+]CCNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000579212154 354964416 /nfs/dbraw/zinc/96/44/16/354964416.db2.gz CSAIOHFSAJPLLG-LLVKDONJSA-N 3 2 257.382 -0.730 20 0 CBADLP COC(=O)[C@H]1CCCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000579240944 354966471 /nfs/dbraw/zinc/96/64/71/354966471.db2.gz GARRRBFDBBKWMK-GFCCVEGCSA-N 2 2 255.362 -0.081 20 0 CBADLP COC(=O)[C@H]1CCCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000579240944 354966472 /nfs/dbraw/zinc/96/64/72/354966472.db2.gz GARRRBFDBBKWMK-GFCCVEGCSA-N 2 2 255.362 -0.081 20 0 CBADLP C[N@@H+]1CCN(C(=O)COC[C@H]2CCCO2)[C@@H](C[NH3+])C1 ZINC000579351359 354968516 /nfs/dbraw/zinc/96/85/16/354968516.db2.gz TTZNPAUNWGERGE-NWDGAFQWSA-N 2 2 271.361 -0.717 20 0 CBADLP C[N@H+]1CCN(C(=O)COC[C@H]2CCCO2)[C@@H](C[NH3+])C1 ZINC000579351359 354968517 /nfs/dbraw/zinc/96/85/17/354968517.db2.gz TTZNPAUNWGERGE-NWDGAFQWSA-N 2 2 271.361 -0.717 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000579590137 354973854 /nfs/dbraw/zinc/97/38/54/354973854.db2.gz LOOGYLWUGPHHEJ-QWRGUYRKSA-N 2 2 270.377 -0.609 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000579590137 354973859 /nfs/dbraw/zinc/97/38/59/354973859.db2.gz LOOGYLWUGPHHEJ-QWRGUYRKSA-N 2 2 270.377 -0.609 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC2(CC1)NC(=O)N(C)C2=O ZINC000579607837 354974277 /nfs/dbraw/zinc/97/42/77/354974277.db2.gz BEIKTUUMWYDAAK-NSHDSACASA-N 2 2 298.387 -0.685 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC2(CC1)NC(=O)N(C)C2=O ZINC000579607837 354974278 /nfs/dbraw/zinc/97/42/78/354974278.db2.gz BEIKTUUMWYDAAK-NSHDSACASA-N 2 2 298.387 -0.685 20 0 CBADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@H]2[C@@H]3COC[C@@H]32)C[C@@H](C)O1 ZINC000579704413 354976313 /nfs/dbraw/zinc/97/63/13/354976313.db2.gz SZZKRUVMJLQTHW-KJKVDNPUSA-N 2 2 270.373 -0.309 20 0 CBADLP COC(=O)C[C@H]([NH3+])C(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000579710937 354978090 /nfs/dbraw/zinc/97/80/90/354978090.db2.gz YLPNCWGNAFGLSI-VIFPVBQESA-N 2 2 266.301 -0.024 20 0 CBADLP COCCn1cc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cn1 ZINC000579853675 354982002 /nfs/dbraw/zinc/98/20/02/354982002.db2.gz ZCOHIWPCGKGCRQ-CHWSQXEVSA-N 2 2 293.371 -0.727 20 0 CBADLP C[N@H+](C[C@H](O)C[NH2+]C[C@@H]1CC[C@@H](C(N)=O)O1)C1CC1 ZINC000579943276 354983292 /nfs/dbraw/zinc/98/32/92/354983292.db2.gz IICPMRBLOGIQGW-WOPDTQHZSA-N 2 2 271.361 -0.936 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH2+]C[C@@H]1CC[C@@H](C(N)=O)O1)C1CC1 ZINC000579943276 354983294 /nfs/dbraw/zinc/98/32/94/354983294.db2.gz IICPMRBLOGIQGW-WOPDTQHZSA-N 2 2 271.361 -0.936 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000581006054 355003530 /nfs/dbraw/zinc/00/35/30/355003530.db2.gz VHHCQOHAEOGMCW-RWMBFGLXSA-N 2 2 294.399 -0.654 20 0 CBADLP COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)C2CC[NH2+]CC2)C1 ZINC000580191945 354989950 /nfs/dbraw/zinc/98/99/50/354989950.db2.gz LXZCRVVRHSYBJC-LBPRGKRZSA-N 2 2 297.399 -0.013 20 0 CBADLP COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)C2CC[NH2+]CC2)C1 ZINC000580191945 354989951 /nfs/dbraw/zinc/98/99/51/354989951.db2.gz LXZCRVVRHSYBJC-LBPRGKRZSA-N 2 2 297.399 -0.013 20 0 CBADLP COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)C2CC[NH2+]CC2)C1 ZINC000580191944 354989964 /nfs/dbraw/zinc/98/99/64/354989964.db2.gz LXZCRVVRHSYBJC-GFCCVEGCSA-N 2 2 297.399 -0.013 20 0 CBADLP COC(=O)C[N@H+]1CCC[C@H](CNC(=O)C2CC[NH2+]CC2)C1 ZINC000580191944 354989966 /nfs/dbraw/zinc/98/99/66/354989966.db2.gz LXZCRVVRHSYBJC-GFCCVEGCSA-N 2 2 297.399 -0.013 20 0 CBADLP O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000582064156 355007143 /nfs/dbraw/zinc/00/71/43/355007143.db2.gz WTQWCIWEIXQITK-LPEHRKFASA-N 2 2 275.299 -0.427 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](c2nnc(C)[nH]2)C1 ZINC000582249023 355011922 /nfs/dbraw/zinc/01/19/22/355011922.db2.gz BYMLVRQXXSSZJJ-CHWSQXEVSA-N 2 2 297.403 -0.158 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](c2nnc(C)[nH]2)C1 ZINC000582249023 355011925 /nfs/dbraw/zinc/01/19/25/355011925.db2.gz BYMLVRQXXSSZJJ-CHWSQXEVSA-N 2 2 297.403 -0.158 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](c2nnc(C)[nH]2)C1 ZINC000582249023 355011927 /nfs/dbraw/zinc/01/19/27/355011927.db2.gz BYMLVRQXXSSZJJ-CHWSQXEVSA-N 2 2 297.403 -0.158 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](c2nnc(C)[nH]2)C1 ZINC000582249023 355011931 /nfs/dbraw/zinc/01/19/31/355011931.db2.gz BYMLVRQXXSSZJJ-CHWSQXEVSA-N 2 2 297.403 -0.158 20 0 CBADLP C[C@@H]1C[N@H+](CCCc2c[nH+]cn2C)C[C@H](C(N)=O)O1 ZINC000583507844 355019425 /nfs/dbraw/zinc/01/94/25/355019425.db2.gz PJZPOYMTXWXWTE-ZYHUDNBSSA-N 2 2 266.345 -0.073 20 0 CBADLP C[C@@H]1C[N@@H+](CCCc2c[nH+]cn2C)C[C@H](C(N)=O)O1 ZINC000583507844 355019431 /nfs/dbraw/zinc/01/94/31/355019431.db2.gz PJZPOYMTXWXWTE-ZYHUDNBSSA-N 2 2 266.345 -0.073 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000583572572 355019915 /nfs/dbraw/zinc/01/99/15/355019915.db2.gz PEKCRQYJUMBKAN-STQMWFEESA-N 2 2 284.404 -0.165 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000583572572 355019917 /nfs/dbraw/zinc/01/99/17/355019917.db2.gz PEKCRQYJUMBKAN-STQMWFEESA-N 2 2 284.404 -0.165 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000583572572 355019919 /nfs/dbraw/zinc/01/99/19/355019919.db2.gz PEKCRQYJUMBKAN-STQMWFEESA-N 2 2 284.404 -0.165 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000583572572 355019921 /nfs/dbraw/zinc/01/99/21/355019921.db2.gz PEKCRQYJUMBKAN-STQMWFEESA-N 2 2 284.404 -0.165 20 0 CBADLP COC(=O)[C@H]1C[C@H](OC)C[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000583995138 355026430 /nfs/dbraw/zinc/02/64/30/355026430.db2.gz KZZMDTWVQPGENG-NWDGAFQWSA-N 2 2 299.371 -0.929 20 0 CBADLP COC(=O)[C@H]1C[C@H](OC)C[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000583995138 355026433 /nfs/dbraw/zinc/02/64/33/355026433.db2.gz KZZMDTWVQPGENG-NWDGAFQWSA-N 2 2 299.371 -0.929 20 0 CBADLP C[N@H+](C[C@H](O)C[NH2+]Cc1ccc(C(N)=O)nc1)C1CC1 ZINC000584345905 355029336 /nfs/dbraw/zinc/02/93/36/355029336.db2.gz HPYLGJXOGALQNY-GFCCVEGCSA-N 2 2 278.356 -0.275 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH2+]Cc1ccc(C(N)=O)nc1)C1CC1 ZINC000584345905 355029340 /nfs/dbraw/zinc/02/93/40/355029340.db2.gz HPYLGJXOGALQNY-GFCCVEGCSA-N 2 2 278.356 -0.275 20 0 CBADLP C[N@H+](C[C@@H](O)C[NH2+]CC1(CS(C)(=O)=O)CC1)C1CC1 ZINC000584108320 355029381 /nfs/dbraw/zinc/02/93/81/355029381.db2.gz YTQJIMSLCMFRSS-LBPRGKRZSA-N 2 2 290.429 -0.144 20 0 CBADLP C[N@@H+](C[C@@H](O)C[NH2+]CC1(CS(C)(=O)=O)CC1)C1CC1 ZINC000584108320 355029382 /nfs/dbraw/zinc/02/93/82/355029382.db2.gz YTQJIMSLCMFRSS-LBPRGKRZSA-N 2 2 290.429 -0.144 20 0 CBADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000585718291 355049061 /nfs/dbraw/zinc/04/90/61/355049061.db2.gz BKBJWPOAYDJKRM-NWDGAFQWSA-N 2 2 298.387 -0.244 20 0 CBADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000585718291 355049064 /nfs/dbraw/zinc/04/90/64/355049064.db2.gz BKBJWPOAYDJKRM-NWDGAFQWSA-N 2 2 298.387 -0.244 20 0 CBADLP C[NH+](C)[C@@]1(C[NH2+]CCC(=O)NC(N)=O)CCSC1 ZINC000591748037 355112182 /nfs/dbraw/zinc/11/21/82/355112182.db2.gz OLNDHDGPXJSXRJ-LLVKDONJSA-N 2 2 274.390 -0.402 20 0 CBADLP O=C(C[NH+]1CCCC1)N1CC[NH+](CCn2cncn2)CC1 ZINC000590790678 355087821 /nfs/dbraw/zinc/08/78/21/355087821.db2.gz IFGFIEXOWSNEAU-UHFFFAOYSA-N 2 2 292.387 -0.482 20 0 CBADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000592181130 355136442 /nfs/dbraw/zinc/13/64/42/355136442.db2.gz CYPIIKVBNFIRQT-JTQLQIEISA-N 2 2 284.360 -0.634 20 0 CBADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000592181130 355136446 /nfs/dbraw/zinc/13/64/46/355136446.db2.gz CYPIIKVBNFIRQT-JTQLQIEISA-N 2 2 284.360 -0.634 20 0 CBADLP COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C)C[NH3+])C1 ZINC000592278413 355146455 /nfs/dbraw/zinc/14/64/55/355146455.db2.gz RGZMXLRRISOVKT-WDEREUQCSA-N 2 2 271.361 -0.418 20 0 CBADLP COC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@@H](C)C[NH3+])C1 ZINC000592278413 355146456 /nfs/dbraw/zinc/14/64/56/355146456.db2.gz RGZMXLRRISOVKT-WDEREUQCSA-N 2 2 271.361 -0.418 20 0 CBADLP COC(=O)[C@H]1C[NH2+]CCCN1Cc1[nH+]ccn1C ZINC000592434477 355153675 /nfs/dbraw/zinc/15/36/75/355153675.db2.gz IKRGLIMTUKZTMD-SNVBAGLBSA-N 2 2 252.318 -0.243 20 0 CBADLP CC(C)OC(=O)CCNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000593902194 355226331 /nfs/dbraw/zinc/22/63/31/355226331.db2.gz OIAASMYBUIZKGB-SNVBAGLBSA-N 2 2 259.350 -0.277 20 0 CBADLP COC(=O)[C@@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C(C)(C)C ZINC000593904036 355226887 /nfs/dbraw/zinc/22/68/87/355226887.db2.gz QEGMCIDPAUAGAI-VHSXEESVSA-N 2 2 273.377 -0.031 20 0 CBADLP COC(=O)[C@H]1CCCCN1C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000593907135 355227399 /nfs/dbraw/zinc/22/73/99/355227399.db2.gz MTXZQHHBVUITRY-GHMZBOCLSA-N 2 2 271.361 -0.181 20 0 CBADLP COC(=O)[C@]1(C)CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000593907795 355227425 /nfs/dbraw/zinc/22/74/25/355227425.db2.gz VXHWRVQHIOFWFF-GXFFZTMASA-N 2 2 271.361 -0.323 20 0 CBADLP CCOC(=O)[C@@H](C)CNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000593909962 355228164 /nfs/dbraw/zinc/22/81/64/355228164.db2.gz OQQDKAFEOTWPAK-UWVGGRQHSA-N 2 2 259.350 -0.419 20 0 CBADLP COC(=O)[C@@H](CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)CC1CC1 ZINC000593916934 355229978 /nfs/dbraw/zinc/22/99/78/355229978.db2.gz RURWVMMFHNXUJC-NEPJUHHUSA-N 2 2 285.388 -0.029 20 0 CBADLP COC(=O)[C@@H](CNC(=O)[C@H]([NH3+])CC[NH+](C)C)CC1CC1 ZINC000593916937 355230083 /nfs/dbraw/zinc/23/00/83/355230083.db2.gz RURWVMMFHNXUJC-VXGBXAGGSA-N 2 2 285.388 -0.029 20 0 CBADLP CNC(=O)NC(=O)CC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000593979661 355233380 /nfs/dbraw/zinc/23/33/80/355233380.db2.gz NVSFOSNNYQBWBZ-UHFFFAOYSA-N 2 2 280.332 -0.623 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H](C)[C@H](C(=O)OC)C1 ZINC000594013867 355234370 /nfs/dbraw/zinc/23/43/70/355234370.db2.gz DQKZLYLJEDVOSF-JHJVBQTASA-N 2 2 288.388 -0.334 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H](C)[C@H](C(=O)OC)C1 ZINC000594013867 355234374 /nfs/dbraw/zinc/23/43/74/355234374.db2.gz DQKZLYLJEDVOSF-JHJVBQTASA-N 2 2 288.388 -0.334 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](C(=O)OC)C1 ZINC000594013867 355234376 /nfs/dbraw/zinc/23/43/76/355234376.db2.gz DQKZLYLJEDVOSF-JHJVBQTASA-N 2 2 288.388 -0.334 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](C(=O)OC)C1 ZINC000594013867 355234379 /nfs/dbraw/zinc/23/43/79/355234379.db2.gz DQKZLYLJEDVOSF-JHJVBQTASA-N 2 2 288.388 -0.334 20 0 CBADLP Cc1nn(C)cc1C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000594737007 355259069 /nfs/dbraw/zinc/25/90/69/355259069.db2.gz VREZJKHVMXOUBD-NEPJUHHUSA-N 2 2 263.345 -0.528 20 0 CBADLP Cc1nn(C)cc1C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000594737007 355259073 /nfs/dbraw/zinc/25/90/73/355259073.db2.gz VREZJKHVMXOUBD-NEPJUHHUSA-N 2 2 263.345 -0.528 20 0 CBADLP Cc1nn(C)cc1C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000594737009 355259481 /nfs/dbraw/zinc/25/94/81/355259481.db2.gz VREZJKHVMXOUBD-RYUDHWBXSA-N 2 2 263.345 -0.528 20 0 CBADLP Cc1nn(C)cc1C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000594737009 355259484 /nfs/dbraw/zinc/25/94/84/355259484.db2.gz VREZJKHVMXOUBD-RYUDHWBXSA-N 2 2 263.345 -0.528 20 0 CBADLP Cc1cc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)nc(C)n1 ZINC000594876045 355265788 /nfs/dbraw/zinc/26/57/88/355265788.db2.gz AUNSTVCWEUTBIV-CHWSQXEVSA-N 2 2 275.356 -0.163 20 0 CBADLP Cc1cc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)nc(C)n1 ZINC000594876045 355265790 /nfs/dbraw/zinc/26/57/90/355265790.db2.gz AUNSTVCWEUTBIV-CHWSQXEVSA-N 2 2 275.356 -0.163 20 0 CBADLP [NH3+][C@H]1C[C@@H]2CN(c3cc(-n4cc[nH+]c4)ncn3)CCN2C1=O ZINC000594694175 355257391 /nfs/dbraw/zinc/25/73/91/355257391.db2.gz BFGMYYMBGIGDBE-MNOVXSKESA-N 2 2 299.338 -0.590 20 0 CBADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CC(=O)NC(N)=O)C2 ZINC000595507997 355290088 /nfs/dbraw/zinc/29/00/88/355290088.db2.gz STFQAPVSYQUHBI-LBPRGKRZSA-N 2 2 254.334 -0.401 20 0 CBADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](CC(=O)NC(N)=O)C2 ZINC000595507997 355290092 /nfs/dbraw/zinc/29/00/92/355290092.db2.gz STFQAPVSYQUHBI-LBPRGKRZSA-N 2 2 254.334 -0.401 20 0 CBADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](CC(=O)NC(N)=O)C2 ZINC000595507997 355290095 /nfs/dbraw/zinc/29/00/95/355290095.db2.gz STFQAPVSYQUHBI-LBPRGKRZSA-N 2 2 254.334 -0.401 20 0 CBADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CC(=O)NC(N)=O)C2 ZINC000595507997 355290098 /nfs/dbraw/zinc/29/00/98/355290098.db2.gz STFQAPVSYQUHBI-LBPRGKRZSA-N 2 2 254.334 -0.401 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](O)C[N@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000595565506 355296237 /nfs/dbraw/zinc/29/62/37/355296237.db2.gz FIPDFLDNJOWHCX-JHJVBQTASA-N 2 2 288.388 -0.457 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000595565506 355296240 /nfs/dbraw/zinc/29/62/40/355296240.db2.gz FIPDFLDNJOWHCX-JHJVBQTASA-N 2 2 288.388 -0.457 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](O)C[NH+](C[C@H](O)C[N@H+](C)C(C)C)C1 ZINC000595565506 355296243 /nfs/dbraw/zinc/29/62/43/355296243.db2.gz FIPDFLDNJOWHCX-JHJVBQTASA-N 2 2 288.388 -0.457 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](O)C[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000595565506 355296247 /nfs/dbraw/zinc/29/62/47/355296247.db2.gz FIPDFLDNJOWHCX-JHJVBQTASA-N 2 2 288.388 -0.457 20 0 CBADLP COC(=O)[C@H]1C[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000595891633 355314880 /nfs/dbraw/zinc/31/48/80/355314880.db2.gz JJPPQJSTGKMWHU-WDEREUQCSA-N 2 2 270.329 -0.619 20 0 CBADLP COC(=O)[C@H]1C[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000595891633 355314882 /nfs/dbraw/zinc/31/48/82/355314882.db2.gz JJPPQJSTGKMWHU-WDEREUQCSA-N 2 2 270.329 -0.619 20 0 CBADLP COC(=O)CCN1CCC[C@H]([N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)C1=O ZINC000595893115 355315312 /nfs/dbraw/zinc/31/53/12/355315312.db2.gz PLWMPBWRWJYDPK-UTUOFQBUSA-N 2 2 283.372 -0.181 20 0 CBADLP COC(=O)CCN1CCC[C@H]([N@H+]2C[C@@H](C)[C@H]([NH3+])C2)C1=O ZINC000595893115 355315315 /nfs/dbraw/zinc/31/53/15/355315315.db2.gz PLWMPBWRWJYDPK-UTUOFQBUSA-N 2 2 283.372 -0.181 20 0 CBADLP COC(=O)CCN1CCC[C@@H]([N@@H+]2CC[C@H]([NH3+])[C@@H]2C)C1=O ZINC000595894674 355315551 /nfs/dbraw/zinc/31/55/51/355315551.db2.gz YJYOYGHSJHVXMW-SDDRHHMPSA-N 2 2 283.372 -0.038 20 0 CBADLP COC(=O)CCN1CCC[C@@H]([N@H+]2CC[C@H]([NH3+])[C@@H]2C)C1=O ZINC000595894674 355315553 /nfs/dbraw/zinc/31/55/53/355315553.db2.gz YJYOYGHSJHVXMW-SDDRHHMPSA-N 2 2 283.372 -0.038 20 0 CBADLP COC(=O)C[C@H]1C[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000595894289 355315585 /nfs/dbraw/zinc/31/55/85/355315585.db2.gz WQPMTHXCONTAIX-RYUDHWBXSA-N 2 2 284.356 -0.229 20 0 CBADLP COC(=O)C[C@H]1C[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000595894289 355315587 /nfs/dbraw/zinc/31/55/87/355315587.db2.gz WQPMTHXCONTAIX-RYUDHWBXSA-N 2 2 284.356 -0.229 20 0 CBADLP COC(=O)C[C@@H]1C[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000595894287 355315803 /nfs/dbraw/zinc/31/58/03/355315803.db2.gz WQPMTHXCONTAIX-NWDGAFQWSA-N 2 2 284.356 -0.229 20 0 CBADLP COC(=O)C[C@@H]1C[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000595894287 355315804 /nfs/dbraw/zinc/31/58/04/355315804.db2.gz WQPMTHXCONTAIX-NWDGAFQWSA-N 2 2 284.356 -0.229 20 0 CBADLP CC(C)(C)NC(=O)NC(=O)C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000595901519 355316533 /nfs/dbraw/zinc/31/65/33/355316533.db2.gz FGMZBWLKZGLIFL-UHFFFAOYSA-N 2 2 286.376 -0.685 20 0 CBADLP Cc1nocc1C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000595902676 355316613 /nfs/dbraw/zinc/31/66/13/355316613.db2.gz FFRQYKJWTLXDKP-MNOVXSKESA-N 2 2 250.302 -0.273 20 0 CBADLP Cc1nocc1C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000595902676 355316618 /nfs/dbraw/zinc/31/66/18/355316618.db2.gz FFRQYKJWTLXDKP-MNOVXSKESA-N 2 2 250.302 -0.273 20 0 CBADLP Cc1nnsc1C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000595902980 355316936 /nfs/dbraw/zinc/31/69/36/355316936.db2.gz LBGIKUPOSCWJSE-RKDXNWHRSA-N 2 2 267.358 -0.410 20 0 CBADLP Cc1nnsc1C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000595902980 355316937 /nfs/dbraw/zinc/31/69/37/355316937.db2.gz LBGIKUPOSCWJSE-RKDXNWHRSA-N 2 2 267.358 -0.410 20 0 CBADLP COC(=O)[C@H]1C[C@@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000595975133 355332989 /nfs/dbraw/zinc/33/29/89/355332989.db2.gz MYRDWZGOWAUPNO-KXUCPTDWSA-N 2 2 257.334 -0.667 20 0 CBADLP COC(=O)CN(C)C(=O)CC[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000420345676 291064301 /nfs/dbraw/zinc/06/43/01/291064301.db2.gz WIJLCXXMIXRUKZ-NWDGAFQWSA-N 2 2 283.372 -0.308 20 0 CBADLP COC(=O)CN(C)C(=O)CC[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000420345676 291064304 /nfs/dbraw/zinc/06/43/04/291064304.db2.gz WIJLCXXMIXRUKZ-NWDGAFQWSA-N 2 2 283.372 -0.308 20 0 CBADLP COC(=O)[C@]1(OC)CC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000599557980 355499186 /nfs/dbraw/zinc/49/91/86/355499186.db2.gz CLKLLOPMFSYZHL-OCCSQVGLSA-N 2 2 286.372 -0.295 20 0 CBADLP COC(=O)[C@]1(OC)CC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000599557980 355499189 /nfs/dbraw/zinc/49/91/89/355499189.db2.gz CLKLLOPMFSYZHL-OCCSQVGLSA-N 2 2 286.372 -0.295 20 0 CBADLP COC(=O)[C@]1(OC)CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000599557980 355499192 /nfs/dbraw/zinc/49/91/92/355499192.db2.gz CLKLLOPMFSYZHL-OCCSQVGLSA-N 2 2 286.372 -0.295 20 0 CBADLP COC(=O)[C@]1(OC)CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000599557980 355499195 /nfs/dbraw/zinc/49/91/95/355499195.db2.gz CLKLLOPMFSYZHL-OCCSQVGLSA-N 2 2 286.372 -0.295 20 0 CBADLP COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000599008737 355459434 /nfs/dbraw/zinc/45/94/34/355459434.db2.gz HIKWNYFNLWEHAM-WHOHXGKFSA-N 2 2 256.346 -0.160 20 0 CBADLP COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000599008737 355459437 /nfs/dbraw/zinc/45/94/37/355459437.db2.gz HIKWNYFNLWEHAM-WHOHXGKFSA-N 2 2 256.346 -0.160 20 0 CBADLP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000599008735 355459505 /nfs/dbraw/zinc/45/95/05/355459505.db2.gz HIKWNYFNLWEHAM-DDHJBXDOSA-N 2 2 256.346 -0.160 20 0 CBADLP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000599008735 355459507 /nfs/dbraw/zinc/45/95/07/355459507.db2.gz HIKWNYFNLWEHAM-DDHJBXDOSA-N 2 2 256.346 -0.160 20 0 CBADLP Nc1ncccc1C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000600708197 355562020 /nfs/dbraw/zinc/56/20/20/355562020.db2.gz DLTXUMQNTOPPCR-QWRGUYRKSA-N 2 2 261.329 -0.592 20 0 CBADLP Nc1ncccc1C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000600708197 355562021 /nfs/dbraw/zinc/56/20/21/355562021.db2.gz DLTXUMQNTOPPCR-QWRGUYRKSA-N 2 2 261.329 -0.592 20 0 CBADLP COC(=O)[C@H]1CN(C(=O)Cn2c[nH+]cc2C)CC[N@H+](C)C1 ZINC000600010999 355523615 /nfs/dbraw/zinc/52/36/15/355523615.db2.gz GEBWOKJVIPVRKK-GFCCVEGCSA-N 2 2 294.355 -0.245 20 0 CBADLP COC(=O)[C@H]1CN(C(=O)Cn2c[nH+]cc2C)CC[N@@H+](C)C1 ZINC000600010999 355523616 /nfs/dbraw/zinc/52/36/16/355523616.db2.gz GEBWOKJVIPVRKK-GFCCVEGCSA-N 2 2 294.355 -0.245 20 0 CBADLP Cc1nccnc1C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000601326921 355586886 /nfs/dbraw/zinc/58/68/86/355586886.db2.gz XPGQMAADXBFFHX-WDEREUQCSA-N 2 2 261.329 -0.471 20 0 CBADLP Cc1nccnc1C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000601326921 355586888 /nfs/dbraw/zinc/58/68/88/355586888.db2.gz XPGQMAADXBFFHX-WDEREUQCSA-N 2 2 261.329 -0.471 20 0 CBADLP COC(=O)CCNC(=O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601334938 355588439 /nfs/dbraw/zinc/58/84/39/355588439.db2.gz OUIDGNOYPJIOAC-RYUDHWBXSA-N 2 2 283.372 -0.260 20 0 CBADLP COC(=O)CCNC(=O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601334938 355588443 /nfs/dbraw/zinc/58/84/43/355588443.db2.gz OUIDGNOYPJIOAC-RYUDHWBXSA-N 2 2 283.372 -0.260 20 0 CBADLP CNC(=O)NC(=O)CC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000601335436 355588560 /nfs/dbraw/zinc/58/85/60/355588560.db2.gz UJFAWKPIMBGUIE-MNOVXSKESA-N 2 2 268.361 -0.094 20 0 CBADLP CNC(=O)NC(=O)CC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000601335436 355588564 /nfs/dbraw/zinc/58/85/64/355588564.db2.gz UJFAWKPIMBGUIE-MNOVXSKESA-N 2 2 268.361 -0.094 20 0 CBADLP CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601335848 355588670 /nfs/dbraw/zinc/58/86/70/355588670.db2.gz YMAFLKWTRUJMHX-WDEREUQCSA-N 2 2 268.361 -0.094 20 0 CBADLP CCNC(=O)NC(=O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601335848 355588673 /nfs/dbraw/zinc/58/86/73/355588673.db2.gz YMAFLKWTRUJMHX-WDEREUQCSA-N 2 2 268.361 -0.094 20 0 CBADLP COC(=O)CCNC(=O)CC[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000600712040 355563391 /nfs/dbraw/zinc/56/33/91/355563391.db2.gz VOIIYVQLMCKEGI-WDEREUQCSA-N 2 2 271.361 -0.357 20 0 CBADLP CCOC(=O)C[C@@H](CO)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000600741318 355564350 /nfs/dbraw/zinc/56/43/50/355564350.db2.gz FIIYJDPXGWYQLN-NWDGAFQWSA-N 2 2 274.361 -0.653 20 0 CBADLP C[NH+]1CCN(CC(=O)N2CC(Oc3cc[nH+]cc3)C2)CC1 ZINC000600989443 355574549 /nfs/dbraw/zinc/57/45/49/355574549.db2.gz ITRRIPHSCHNTPJ-UHFFFAOYSA-N 2 2 290.367 -0.081 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H]3COCCO3)C2)CC1 ZINC000602201875 355640193 /nfs/dbraw/zinc/64/01/93/355640193.db2.gz OIQORUOMDUSPSU-TZMCWYRMSA-N 2 2 297.399 -0.314 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@H]3COCCO3)C2)CC1 ZINC000602201875 355640198 /nfs/dbraw/zinc/64/01/98/355640198.db2.gz OIQORUOMDUSPSU-TZMCWYRMSA-N 2 2 297.399 -0.314 20 0 CBADLP COC(=O)[C@](C)(O)C[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000602875946 355679237 /nfs/dbraw/zinc/67/92/37/355679237.db2.gz CEYNMKQJMIHTHG-CHWSQXEVSA-N 2 2 274.361 -0.701 20 0 CBADLP COC(=O)[C@](C)(O)C[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000602875946 355679239 /nfs/dbraw/zinc/67/92/39/355679239.db2.gz CEYNMKQJMIHTHG-CHWSQXEVSA-N 2 2 274.361 -0.701 20 0 CBADLP CCOC(=O)[C@](C)(O)C[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000602876673 355679799 /nfs/dbraw/zinc/67/97/99/355679799.db2.gz INFVVNNQTSOEHR-ZIAGYGMSSA-N 2 2 288.388 -0.311 20 0 CBADLP CCOC(=O)[C@](C)(O)C[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000602876673 355679802 /nfs/dbraw/zinc/67/98/02/355679802.db2.gz INFVVNNQTSOEHR-ZIAGYGMSSA-N 2 2 288.388 -0.311 20 0 CBADLP CN1CC[NH+](CCCCNC(=O)N2CC[NH+](C)CC2)CC1 ZINC000605985037 355738471 /nfs/dbraw/zinc/73/84/71/355738471.db2.gz AADUVPYSBJJEHD-UHFFFAOYSA-N 2 2 297.447 -0.029 20 0 CBADLP C[NH+]1CCN(CCCCNC(=O)N2CC[NH+](C)CC2)CC1 ZINC000605985037 355738473 /nfs/dbraw/zinc/73/84/73/355738473.db2.gz AADUVPYSBJJEHD-UHFFFAOYSA-N 2 2 297.447 -0.029 20 0 CBADLP CCNC(=O)C[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000606935531 355743764 /nfs/dbraw/zinc/74/37/64/355743764.db2.gz VBCNMKLUWHXYCW-UHFFFAOYSA-N 2 2 292.387 -0.199 20 0 CBADLP Cn1cncc1C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000604418194 355725270 /nfs/dbraw/zinc/72/52/70/355725270.db2.gz LCSAJLWZNRXURC-AWEZNQCLSA-N 2 2 293.415 -0.084 20 0 CBADLP C[NH+](C)C[C@](C)(O)CNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000612871996 355854027 /nfs/dbraw/zinc/85/40/27/355854027.db2.gz RNIOAKTUXNMEIV-QMTHXVAHSA-N 2 2 280.372 -0.057 20 0 CBADLP C[NH+](C)C[C@](C)(O)CNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000612871996 355854030 /nfs/dbraw/zinc/85/40/30/355854030.db2.gz RNIOAKTUXNMEIV-QMTHXVAHSA-N 2 2 280.372 -0.057 20 0 CBADLP COC(=O)CN(CC[NH+]1CCOCC1)C[C@H](C)[NH3+] ZINC000420358053 291079225 /nfs/dbraw/zinc/07/92/25/291079225.db2.gz IXTKBKDTJQZKIB-NSHDSACASA-N 2 2 259.350 -0.859 20 0 CBADLP COC(=O)C[N@H+](CC[C@@H]1CC[NH2+]C1)CCN1CCOCC1 ZINC000420356187 291079248 /nfs/dbraw/zinc/07/92/48/291079248.db2.gz GACVJYIVVPEEJJ-AWEZNQCLSA-N 2 2 299.415 -0.207 20 0 CBADLP COC(=O)C[N@@H+](CC[C@@H]1CC[NH2+]C1)CCN1CCOCC1 ZINC000420356187 291079251 /nfs/dbraw/zinc/07/92/51/291079251.db2.gz GACVJYIVVPEEJJ-AWEZNQCLSA-N 2 2 299.415 -0.207 20 0 CBADLP COC(=O)CN(CC[C@@H]1CC[NH2+]C1)CC[NH+]1CCOCC1 ZINC000420356187 291079252 /nfs/dbraw/zinc/07/92/52/291079252.db2.gz GACVJYIVVPEEJJ-AWEZNQCLSA-N 2 2 299.415 -0.207 20 0 CBADLP C[NH+](C)C[C@H](CO)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000614845272 355988174 /nfs/dbraw/zinc/98/81/74/355988174.db2.gz BCJKZBCDVYKUTP-WDEREUQCSA-N 2 2 266.345 -0.516 20 0 CBADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H](CO)C[NH+](C)C ZINC000614842888 355988469 /nfs/dbraw/zinc/98/84/69/355988469.db2.gz VHEVSXCCXGWLOM-GMTAPVOTSA-N 2 2 266.345 -0.438 20 0 CBADLP C[NH+](C)C[C@@H](CO)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000614851393 355990789 /nfs/dbraw/zinc/99/07/89/355990789.db2.gz IKXADOBZPGNZRM-MNOVXSKESA-N 2 2 266.345 -0.516 20 0 CBADLP C[C@@H](CC(=O)N[C@@H](CO)C[NH+](C)C)n1cc[nH+]c1 ZINC000614859047 355994893 /nfs/dbraw/zinc/99/48/93/355994893.db2.gz VKFYYYHAILODEI-WDEREUQCSA-N 2 2 254.334 -0.127 20 0 CBADLP Cc1[nH]c[nH+]c1CC(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000614504784 355964063 /nfs/dbraw/zinc/96/40/63/355964063.db2.gz FQONWGYOTLYULY-LBPRGKRZSA-N 2 2 277.372 -0.233 20 0 CBADLP Cc1[nH]c[nH+]c1CC(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000614504784 355964065 /nfs/dbraw/zinc/96/40/65/355964065.db2.gz FQONWGYOTLYULY-LBPRGKRZSA-N 2 2 277.372 -0.233 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000614504784 355964068 /nfs/dbraw/zinc/96/40/68/355964068.db2.gz FQONWGYOTLYULY-LBPRGKRZSA-N 2 2 277.372 -0.233 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000614504784 355964070 /nfs/dbraw/zinc/96/40/70/355964070.db2.gz FQONWGYOTLYULY-LBPRGKRZSA-N 2 2 277.372 -0.233 20 0 CBADLP CC1(C)C[NH+](CC(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000614506179 355965051 /nfs/dbraw/zinc/96/50/51/355965051.db2.gz WVEJBKVNFOZKNP-ZDUSSCGKSA-N 2 2 280.416 -0.166 20 0 CBADLP CC1(C)C[NH+](CC(=O)NC[C@H]2C[N@H+]3CCN2CCC3)C1 ZINC000614506179 355965053 /nfs/dbraw/zinc/96/50/53/355965053.db2.gz WVEJBKVNFOZKNP-ZDUSSCGKSA-N 2 2 280.416 -0.166 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)C1 ZINC000615544761 356039260 /nfs/dbraw/zinc/03/92/60/356039260.db2.gz CCEKHQJRQVAROY-KBPBESRZSA-N 2 2 297.399 -0.360 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)C1 ZINC000615544761 356039264 /nfs/dbraw/zinc/03/92/64/356039264.db2.gz CCEKHQJRQVAROY-KBPBESRZSA-N 2 2 297.399 -0.360 20 0 CBADLP CN(Cc1c[nH+]c[nH]1)C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000616926020 356115601 /nfs/dbraw/zinc/11/56/01/356115601.db2.gz ZKYPYLDLTBHGLI-NSHDSACASA-N 2 2 293.371 -0.222 20 0 CBADLP CN(Cc1c[nH]c[nH+]1)C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000616926020 356115607 /nfs/dbraw/zinc/11/56/07/356115607.db2.gz ZKYPYLDLTBHGLI-NSHDSACASA-N 2 2 293.371 -0.222 20 0 CBADLP C[C@@H]1C[N@H+](CCO)CCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000616155402 356068747 /nfs/dbraw/zinc/06/87/47/356068747.db2.gz JXZHLKZWNMPHFG-CHWSQXEVSA-N 2 2 292.383 -0.030 20 0 CBADLP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000616155402 356068749 /nfs/dbraw/zinc/06/87/49/356068749.db2.gz JXZHLKZWNMPHFG-CHWSQXEVSA-N 2 2 292.383 -0.030 20 0 CBADLP Cn1cc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)nn1 ZINC000617764386 356155150 /nfs/dbraw/zinc/15/51/50/356155150.db2.gz UVWHULZAAKUDMY-UHFFFAOYSA-N 2 2 268.365 -0.572 20 0 CBADLP Cn1cc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)nn1 ZINC000617764386 356155151 /nfs/dbraw/zinc/15/51/51/356155151.db2.gz UVWHULZAAKUDMY-UHFFFAOYSA-N 2 2 268.365 -0.572 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1CC[C@@H]1C(N)=O ZINC000617764333 356155980 /nfs/dbraw/zinc/15/59/80/356155980.db2.gz RPZLSLUQNWPYMS-RYUDHWBXSA-N 2 2 284.404 -0.502 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1CC[C@@H]1C(N)=O ZINC000617764333 356155983 /nfs/dbraw/zinc/15/59/83/356155983.db2.gz RPZLSLUQNWPYMS-RYUDHWBXSA-N 2 2 284.404 -0.502 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)NCC1CC1 ZINC000617765240 356156414 /nfs/dbraw/zinc/15/64/14/356156414.db2.gz YJFIZSKSAKKQTB-UHFFFAOYSA-N 2 2 284.404 -0.488 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)NCC1CC1 ZINC000617765240 356156417 /nfs/dbraw/zinc/15/64/17/356156417.db2.gz YJFIZSKSAKKQTB-UHFFFAOYSA-N 2 2 284.404 -0.488 20 0 CBADLP Cc1c(C(=O)NCC[N@H+](C)CCC[NH+](C)C)nnn1C ZINC000617766341 356157001 /nfs/dbraw/zinc/15/70/01/356157001.db2.gz GXZOSVQVSWOACF-UHFFFAOYSA-N 2 2 282.392 -0.263 20 0 CBADLP Cc1c(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)nnn1C ZINC000617766341 356157004 /nfs/dbraw/zinc/15/70/04/356157004.db2.gz GXZOSVQVSWOACF-UHFFFAOYSA-N 2 2 282.392 -0.263 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH+]2C[C@@H](C)OC[C@H]2C)C1 ZINC000617733947 356152138 /nfs/dbraw/zinc/15/21/38/356152138.db2.gz XWNIBVVJLSOCKN-MCIONIFRSA-N 2 2 299.415 -0.068 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)NCC[NH+]2C[C@@H](C)OC[C@H]2C)C1 ZINC000617733947 356152142 /nfs/dbraw/zinc/15/21/42/356152142.db2.gz XWNIBVVJLSOCKN-MCIONIFRSA-N 2 2 299.415 -0.068 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)C1 ZINC000617733947 356152147 /nfs/dbraw/zinc/15/21/47/356152147.db2.gz XWNIBVVJLSOCKN-MCIONIFRSA-N 2 2 299.415 -0.068 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)NCC[N@H+]2C[C@@H](C)OC[C@H]2C)C1 ZINC000617733947 356152150 /nfs/dbraw/zinc/15/21/50/356152150.db2.gz XWNIBVVJLSOCKN-MCIONIFRSA-N 2 2 299.415 -0.068 20 0 CBADLP CC(=O)NCCC[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000619741648 356226663 /nfs/dbraw/zinc/22/66/63/356226663.db2.gz BEJXPBIUJWTQKZ-SCRDCRAPSA-N 2 2 287.404 -0.428 20 0 CBADLP CC(=O)NCCC[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000619741648 356226666 /nfs/dbraw/zinc/22/66/66/356226666.db2.gz BEJXPBIUJWTQKZ-SCRDCRAPSA-N 2 2 287.404 -0.428 20 0 CBADLP CNS(=O)(=O)CC[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000621323209 356272378 /nfs/dbraw/zinc/27/23/78/356272378.db2.gz WCWRWZPVUJKJFO-LBPRGKRZSA-N 2 2 293.433 -0.422 20 0 CBADLP CNS(=O)(=O)CC[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000621323209 356272379 /nfs/dbraw/zinc/27/23/79/356272379.db2.gz WCWRWZPVUJKJFO-LBPRGKRZSA-N 2 2 293.433 -0.422 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](C)[C@H](CO)C1 ZINC000621373336 356273871 /nfs/dbraw/zinc/27/38/71/356273871.db2.gz GXIRCYCFIUMLFO-IHRRRGAJSA-N 2 2 274.405 -0.124 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](C)[C@H](CO)C1 ZINC000621373336 356273874 /nfs/dbraw/zinc/27/38/74/356273874.db2.gz GXIRCYCFIUMLFO-IHRRRGAJSA-N 2 2 274.405 -0.124 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](C)[C@H](CO)C1 ZINC000621373336 356273877 /nfs/dbraw/zinc/27/38/77/356273877.db2.gz GXIRCYCFIUMLFO-IHRRRGAJSA-N 2 2 274.405 -0.124 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](C)[C@H](CO)C1 ZINC000621373336 356273881 /nfs/dbraw/zinc/27/38/81/356273881.db2.gz GXIRCYCFIUMLFO-IHRRRGAJSA-N 2 2 274.405 -0.124 20 0 CBADLP Cn1cc(C[N@@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)c(=O)n(C)c1=O ZINC000622004010 356298860 /nfs/dbraw/zinc/29/88/60/356298860.db2.gz ISMPMEJPGPLKGU-SMDDNHRTSA-N 2 2 278.356 -0.603 20 0 CBADLP Cn1cc(C[N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)c(=O)n(C)c1=O ZINC000622004010 356298861 /nfs/dbraw/zinc/29/88/61/356298861.db2.gz ISMPMEJPGPLKGU-SMDDNHRTSA-N 2 2 278.356 -0.603 20 0 CBADLP CN(C)[C@H](C(=O)NCC[NH+]1CCC1)c1c[nH+]cn1C ZINC000622458584 356320650 /nfs/dbraw/zinc/32/06/50/356320650.db2.gz ROUXIEQQRDJJCE-LBPRGKRZSA-N 2 2 265.361 -0.155 20 0 CBADLP CC[NH+]1CCN(CC(=O)N[C@H]2Cc3c[nH+]cn3C2)CC1 ZINC000623264445 356358313 /nfs/dbraw/zinc/35/83/13/356358313.db2.gz LRGQKUPAOQARGO-LBPRGKRZSA-N 2 2 277.372 -0.439 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623263324 356358576 /nfs/dbraw/zinc/35/85/76/356358576.db2.gz IXIRHINIGUBDFG-RYUDHWBXSA-N 2 2 278.356 -0.108 20 0 CBADLP C[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1COCC[NH+]1C ZINC000623716020 356371957 /nfs/dbraw/zinc/37/19/57/356371957.db2.gz DBMCMCDOOAVZGI-NWDGAFQWSA-N 2 2 270.377 -0.290 20 0 CBADLP C[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1COCC[NH+]1C ZINC000623716020 356371962 /nfs/dbraw/zinc/37/19/62/356371962.db2.gz DBMCMCDOOAVZGI-NWDGAFQWSA-N 2 2 270.377 -0.290 20 0 CBADLP C[NH+]1CCC[C@H]1CNC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000623716020 356371965 /nfs/dbraw/zinc/37/19/65/356371965.db2.gz DBMCMCDOOAVZGI-NWDGAFQWSA-N 2 2 270.377 -0.290 20 0 CBADLP C[NH+]1CCC[C@H]1CNC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000623716020 356371969 /nfs/dbraw/zinc/37/19/69/356371969.db2.gz DBMCMCDOOAVZGI-NWDGAFQWSA-N 2 2 270.377 -0.290 20 0 CBADLP C[C@@H]1C[NH+](C(C)(C)CNc2nc(N)[nH+]c(N)n2)C[C@@H](C)O1 ZINC000623829126 356378253 /nfs/dbraw/zinc/37/82/53/356378253.db2.gz XEXOHFQMLJJIQO-RKDXNWHRSA-N 2 2 295.391 -0.582 20 0 CBADLP CC[NH+]1CCC(N(C)c2nc(N)nc(N)[nH+]2)CC1 ZINC000623833701 356378426 /nfs/dbraw/zinc/37/84/26/356378426.db2.gz ULMJWRZDURCASG-UHFFFAOYSA-N 2 2 251.338 -0.383 20 0 CBADLP Nc1nc(N2CCC[C@H](n3cc[nH+]c3)C2)nc(N)[nH+]1 ZINC000623937191 356383268 /nfs/dbraw/zinc/38/32/68/356383268.db2.gz XWQLCJCDDHGETE-QMMMGPOBSA-N 2 2 260.305 -0.265 20 0 CBADLP C[C@H]1CCN(c2nc(N)[nH+]c(N)n2)C[C@H]1n1cc[nH+]c1 ZINC000624035245 356390684 /nfs/dbraw/zinc/39/06/84/356390684.db2.gz RAMKLMUCJFIGRN-DTWKUNHWSA-N 2 2 274.332 -0.019 20 0 CBADLP C[N@@H+]1CCC[C@H]2CN(c3nc(N)nc(N)[nH+]3)CC[C@@H]21 ZINC000624041342 356391729 /nfs/dbraw/zinc/39/17/29/356391729.db2.gz QVLGEOHPLKISNG-IUCAKERBSA-N 2 2 263.349 -0.383 20 0 CBADLP C[N@H+]1CCC[C@H]2CN(c3nc(N)nc(N)[nH+]3)CC[C@@H]21 ZINC000624041342 356391731 /nfs/dbraw/zinc/39/17/31/356391731.db2.gz QVLGEOHPLKISNG-IUCAKERBSA-N 2 2 263.349 -0.383 20 0 CBADLP C[N@H+]1Cc2ccccc2[C@H](Nc2nc(N)[nH+]c(N)n2)C1 ZINC000624066247 356394551 /nfs/dbraw/zinc/39/45/51/356394551.db2.gz BBEMDCQNYANOAO-SNVBAGLBSA-N 2 2 271.328 -0.283 20 0 CBADLP C[N@@H+]1Cc2ccccc2[C@H](Nc2nc(N)[nH+]c(N)n2)C1 ZINC000624066247 356394558 /nfs/dbraw/zinc/39/45/58/356394558.db2.gz BBEMDCQNYANOAO-SNVBAGLBSA-N 2 2 271.328 -0.283 20 0 CBADLP CCC[C@H]1CN(c2nc(N)[nH+]c(N)n2)CC[N@@H+]1CCOC ZINC000624075948 356394824 /nfs/dbraw/zinc/39/48/24/356394824.db2.gz AODSGXMFCKHXSP-JTQLQIEISA-N 2 2 295.391 -0.366 20 0 CBADLP CCC[C@H]1CN(c2nc(N)[nH+]c(N)n2)CC[N@H+]1CCOC ZINC000624075948 356394828 /nfs/dbraw/zinc/39/48/28/356394828.db2.gz AODSGXMFCKHXSP-JTQLQIEISA-N 2 2 295.391 -0.366 20 0 CBADLP C[N@H+]1Cc2ccccc2[C@@H](Nc2nc(N)[nH+]c(N)n2)C1 ZINC000624066246 356394876 /nfs/dbraw/zinc/39/48/76/356394876.db2.gz BBEMDCQNYANOAO-JTQLQIEISA-N 2 2 271.328 -0.283 20 0 CBADLP C[N@@H+]1Cc2ccccc2[C@@H](Nc2nc(N)[nH+]c(N)n2)C1 ZINC000624066246 356394879 /nfs/dbraw/zinc/39/48/79/356394879.db2.gz BBEMDCQNYANOAO-JTQLQIEISA-N 2 2 271.328 -0.283 20 0 CBADLP C[N@@H+]1CCCC12CCN(c1nc(N)nc(N)[nH+]1)CC2 ZINC000624081717 356394982 /nfs/dbraw/zinc/39/49/82/356394982.db2.gz DNUKLJVDLLJDJZ-UHFFFAOYSA-N 2 2 263.349 -0.239 20 0 CBADLP C[N@H+]1CCCC12CCN(c1nc(N)nc(N)[nH+]1)CC2 ZINC000624081717 356394985 /nfs/dbraw/zinc/39/49/85/356394985.db2.gz DNUKLJVDLLJDJZ-UHFFFAOYSA-N 2 2 263.349 -0.239 20 0 CBADLP CN(CCC[NH+]1CCCC1)c1nc(N)nc(N)[nH+]1 ZINC000624181055 356402786 /nfs/dbraw/zinc/40/27/86/356402786.db2.gz YAMHUGPXIFNVCS-UHFFFAOYSA-N 2 2 251.338 -0.381 20 0 CBADLP Nc1nc(N)[nH+]c(N2CCC([N@@H+]3CCCOCC3)CC2)n1 ZINC000624275287 356409245 /nfs/dbraw/zinc/40/92/45/356409245.db2.gz RMQXXZHDVCNBDC-UHFFFAOYSA-N 2 2 293.375 -0.612 20 0 CBADLP Nc1nc(N)[nH+]c(N2CCC([N@H+]3CCCOCC3)CC2)n1 ZINC000624275287 356409249 /nfs/dbraw/zinc/40/92/49/356409249.db2.gz RMQXXZHDVCNBDC-UHFFFAOYSA-N 2 2 293.375 -0.612 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000626250362 356521796 /nfs/dbraw/zinc/52/17/96/356521796.db2.gz KFVJLTFPOHHFTK-UHFFFAOYSA-N 2 2 279.344 -0.870 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000626250362 356521798 /nfs/dbraw/zinc/52/17/98/356521798.db2.gz KFVJLTFPOHHFTK-UHFFFAOYSA-N 2 2 279.344 -0.870 20 0 CBADLP COC[C@]1(C)C[N@H+](CCC(=O)N2CC[NH+](C)CC2)CCO1 ZINC000626176638 356517398 /nfs/dbraw/zinc/51/73/98/356517398.db2.gz TYNQQRMSSAWSJS-HNNXBMFYSA-N 2 2 299.415 -0.112 20 0 CBADLP COC[C@]1(C)C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)CCO1 ZINC000626176638 356517402 /nfs/dbraw/zinc/51/74/02/356517402.db2.gz TYNQQRMSSAWSJS-HNNXBMFYSA-N 2 2 299.415 -0.112 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000626208169 356519758 /nfs/dbraw/zinc/51/97/58/356519758.db2.gz XLCDHGQGQSKVRM-UHFFFAOYSA-N 2 2 296.371 -0.655 20 0 CBADLP C[NH2+]CCOCCNC(=O)NCCn1cc[nH+]c1 ZINC000626923127 356555810 /nfs/dbraw/zinc/55/58/10/356555810.db2.gz MPKQUGHSQAFFKG-UHFFFAOYSA-N 2 2 255.322 -0.582 20 0 CBADLP C[NH2+]CCOCCNC(=O)NCCCn1cc[nH+]c1 ZINC000626917675 356556298 /nfs/dbraw/zinc/55/62/98/356556298.db2.gz KEHJCMVVRBSEAY-UHFFFAOYSA-N 2 2 269.349 -0.192 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@H]1COCC[NH2+]1 ZINC000626940396 356558156 /nfs/dbraw/zinc/55/81/56/356558156.db2.gz YMUGMKWWAFZYKD-MNOVXSKESA-N 2 2 267.333 -0.441 20 0 CBADLP C[NH2+]CCOCCNC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000627016724 356567435 /nfs/dbraw/zinc/56/74/35/356567435.db2.gz UOMGXRAETISJLV-NSHDSACASA-N 2 2 281.360 -0.267 20 0 CBADLP O=C(NC[C@@H]1COCC[NH2+]1)NCC1([NH+]2CCOCC2)CC1 ZINC000627021032 356568339 /nfs/dbraw/zinc/56/83/39/356568339.db2.gz RDRTVKYBINHPLX-GFCCVEGCSA-N 2 2 298.387 -0.861 20 0 CBADLP CCN(CC[NH3+])C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000627020675 356568413 /nfs/dbraw/zinc/56/84/13/356568413.db2.gz KWWPCYGNQIYQOC-UHFFFAOYSA-N 2 2 270.377 -0.159 20 0 CBADLP C[NH2+]CCOCCNC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000627040338 356570070 /nfs/dbraw/zinc/57/00/70/356570070.db2.gz HPBWTMAHNANIBR-JTQLQIEISA-N 2 2 281.360 -0.198 20 0 CBADLP C[NH2+]CCOCCNC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000627040338 356570071 /nfs/dbraw/zinc/57/00/71/356570071.db2.gz HPBWTMAHNANIBR-JTQLQIEISA-N 2 2 281.360 -0.198 20 0 CBADLP C[NH2+]CCOCCNC(=O)NCCc1cn(C)c[nH+]1 ZINC000627058090 356570757 /nfs/dbraw/zinc/57/07/57/356570757.db2.gz PCGBIZQHUMYVQV-UHFFFAOYSA-N 2 2 269.349 -0.502 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)NCC[NH2+]C1CC1 ZINC000627067575 356572628 /nfs/dbraw/zinc/57/26/28/356572628.db2.gz BFLJQUVQXJRSBD-LLVKDONJSA-N 2 2 256.350 -0.632 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)NCC[NH2+]C1CC1 ZINC000627067575 356572630 /nfs/dbraw/zinc/57/26/30/356572630.db2.gz BFLJQUVQXJRSBD-LLVKDONJSA-N 2 2 256.350 -0.632 20 0 CBADLP CC(C)C[C@@H](C[NH3+])NC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000627080608 356577389 /nfs/dbraw/zinc/57/73/89/356577389.db2.gz MBFOFPLNDPVYBE-RYUDHWBXSA-N 2 2 272.393 -0.010 20 0 CBADLP CC(C)C[C@@H](C[NH3+])NC(=O)NC[C@H]1COCC[N@H+]1C ZINC000627080608 356577392 /nfs/dbraw/zinc/57/73/92/356577392.db2.gz MBFOFPLNDPVYBE-RYUDHWBXSA-N 2 2 272.393 -0.010 20 0 CBADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000627086190 356578729 /nfs/dbraw/zinc/57/87/29/356578729.db2.gz JZGGUOOICAYXHH-UTUOFQBUSA-N 2 2 270.377 -0.386 20 0 CBADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000627086190 356578733 /nfs/dbraw/zinc/57/87/33/356578733.db2.gz JZGGUOOICAYXHH-UTUOFQBUSA-N 2 2 270.377 -0.386 20 0 CBADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000627086188 356578787 /nfs/dbraw/zinc/57/87/87/356578787.db2.gz JZGGUOOICAYXHH-GRYCIOLGSA-N 2 2 270.377 -0.386 20 0 CBADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC[C@H]1COCC[N@H+]1C ZINC000627086188 356578791 /nfs/dbraw/zinc/57/87/91/356578791.db2.gz JZGGUOOICAYXHH-GRYCIOLGSA-N 2 2 270.377 -0.386 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000627086458 356578998 /nfs/dbraw/zinc/57/89/98/356578998.db2.gz ANUOXEKPSPHAGT-SRVKXCTJSA-N 2 2 270.377 -0.114 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000627086458 356579003 /nfs/dbraw/zinc/57/90/03/356579003.db2.gz ANUOXEKPSPHAGT-SRVKXCTJSA-N 2 2 270.377 -0.114 20 0 CBADLP C[C@H]([NH3+])C[C@H](C)NC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000627107856 356584237 /nfs/dbraw/zinc/58/42/37/356584237.db2.gz NQGQGJPSESYPJL-DCAQKATOSA-N 2 2 258.366 -0.258 20 0 CBADLP C[C@H]([NH3+])C[C@H](C)NC(=O)NC[C@H]1COCC[N@H+]1C ZINC000627107856 356584241 /nfs/dbraw/zinc/58/42/41/356584241.db2.gz NQGQGJPSESYPJL-DCAQKATOSA-N 2 2 258.366 -0.258 20 0 CBADLP C[C@@H](NC(=O)NC[C@@H]1COCC[NH2+]1)c1[nH+]ccn1C ZINC000627116940 356585842 /nfs/dbraw/zinc/58/58/42/356585842.db2.gz BMWWKOGECHWIPV-NXEZZACHSA-N 2 2 267.333 -0.231 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000627118879 356586705 /nfs/dbraw/zinc/58/67/05/356586705.db2.gz CWOZFMXULHJMJJ-VXGBXAGGSA-N 2 2 282.388 -0.242 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000627118879 356586708 /nfs/dbraw/zinc/58/67/08/356586708.db2.gz CWOZFMXULHJMJJ-VXGBXAGGSA-N 2 2 282.388 -0.242 20 0 CBADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC[NH+]1CCOCC1 ZINC000627236035 356609614 /nfs/dbraw/zinc/60/96/14/356609614.db2.gz CRLQBLYRTNJYPF-WDEREUQCSA-N 2 2 256.350 -0.632 20 0 CBADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)CC[NH+]1CCOCC1 ZINC000627239073 356609696 /nfs/dbraw/zinc/60/96/96/356609696.db2.gz YMZVTHFDRSTLQS-NWDGAFQWSA-N 2 2 270.377 -0.290 20 0 CBADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000627246153 356610988 /nfs/dbraw/zinc/61/09/88/356610988.db2.gz XBXNBEBWZNRENS-RWMBFGLXSA-N 2 2 282.388 -0.147 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)NC1(C[NH3+])CCOCC1 ZINC000627182518 356595490 /nfs/dbraw/zinc/59/54/90/356595490.db2.gz FUSJGZFIMOGUGA-LLVKDONJSA-N 2 2 286.376 -0.876 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)NC1(C[NH3+])CCOCC1 ZINC000627182518 356595493 /nfs/dbraw/zinc/59/54/93/356595493.db2.gz FUSJGZFIMOGUGA-LLVKDONJSA-N 2 2 286.376 -0.876 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000627182763 356595808 /nfs/dbraw/zinc/59/58/08/356595808.db2.gz KCYNOPVTGOZUEY-IJLUTSLNSA-N 2 2 270.377 -0.114 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000627182763 356595810 /nfs/dbraw/zinc/59/58/10/356595810.db2.gz KCYNOPVTGOZUEY-IJLUTSLNSA-N 2 2 270.377 -0.114 20 0 CBADLP C[NH2+]CCOCCN(C)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000627182762 356595838 /nfs/dbraw/zinc/59/58/38/356595838.db2.gz KAYNRNUYQUDFMU-LBPRGKRZSA-N 2 2 288.392 -0.806 20 0 CBADLP C[NH2+]CCOCCN(C)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000627182762 356595842 /nfs/dbraw/zinc/59/58/42/356595842.db2.gz KAYNRNUYQUDFMU-LBPRGKRZSA-N 2 2 288.392 -0.806 20 0 CBADLP C[C@@H]1CCN(C(=O)NC[C@H]2COCC[N@@H+]2C)C[C@@H]1C[NH3+] ZINC000627182756 356596058 /nfs/dbraw/zinc/59/60/58/356596058.db2.gz KAKRUEXAUMDJBZ-AGIUHOORSA-N 2 2 284.404 -0.057 20 0 CBADLP C[C@@H]1CCN(C(=O)NC[C@H]2COCC[N@H+]2C)C[C@@H]1C[NH3+] ZINC000627182756 356596064 /nfs/dbraw/zinc/59/60/64/356596064.db2.gz KAKRUEXAUMDJBZ-AGIUHOORSA-N 2 2 284.404 -0.057 20 0 CBADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000627182745 356596308 /nfs/dbraw/zinc/59/63/08/356596308.db2.gz JUXJEZGVSQMFEB-STQMWFEESA-N 2 2 284.404 -0.044 20 0 CBADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)NC[C@H]1COCC[N@H+]1C ZINC000627182745 356596311 /nfs/dbraw/zinc/59/63/11/356596311.db2.gz JUXJEZGVSQMFEB-STQMWFEESA-N 2 2 284.404 -0.044 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000627183130 356596554 /nfs/dbraw/zinc/59/65/54/356596554.db2.gz GYOGZAOWPYDUMK-NEPJUHHUSA-N 2 2 270.377 -0.160 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000627183130 356596560 /nfs/dbraw/zinc/59/65/60/356596560.db2.gz GYOGZAOWPYDUMK-NEPJUHHUSA-N 2 2 270.377 -0.160 20 0 CBADLP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000627183511 356596768 /nfs/dbraw/zinc/59/67/68/356596768.db2.gz LLRMYSKZCMLWRJ-UTUOFQBUSA-N 2 2 270.377 -0.304 20 0 CBADLP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NC[C@H]1COCC[N@H+]1C ZINC000627183511 356596770 /nfs/dbraw/zinc/59/67/70/356596770.db2.gz LLRMYSKZCMLWRJ-UTUOFQBUSA-N 2 2 270.377 -0.304 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)N1CCCC[C@H]1C[NH3+] ZINC000627183131 356596798 /nfs/dbraw/zinc/59/67/98/356596798.db2.gz GYOGZAOWPYDUMK-NWDGAFQWSA-N 2 2 270.377 -0.160 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)N1CCCC[C@H]1C[NH3+] ZINC000627183131 356596800 /nfs/dbraw/zinc/59/68/00/356596800.db2.gz GYOGZAOWPYDUMK-NWDGAFQWSA-N 2 2 270.377 -0.160 20 0 CBADLP O=C(NC[C@@H]1COCC[NH2+]1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000627191544 356602421 /nfs/dbraw/zinc/60/24/21/356602421.db2.gz SHOHIBGABWASIA-OLZOCXBDSA-N 2 2 298.387 -0.909 20 0 CBADLP O=C(NCc1cn2ccccc2[nH+]1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627300332 356622354 /nfs/dbraw/zinc/62/23/54/356622354.db2.gz WQXKUNOGXMMNSH-SNVBAGLBSA-N 2 2 287.323 -0.571 20 0 CBADLP Cc1cc(CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)cc(C)[nH+]1 ZINC000627421567 356643697 /nfs/dbraw/zinc/64/36/97/356643697.db2.gz MSBZMZFMXSDMCJ-GFCCVEGCSA-N 2 2 276.340 -0.207 20 0 CBADLP C[C@@H]1CC[C@@H](NC(=O)C(=O)NCc2[nH+]ccn2C)C[NH2+]1 ZINC000627379311 356636439 /nfs/dbraw/zinc/63/64/39/356636439.db2.gz IGVXCWALCSOULL-NXEZZACHSA-N 2 2 279.344 -0.707 20 0 CBADLP C[C@H]1CC[C@H](NC(=O)C(=O)N(C)Cc2[nH+]ccn2C)C[NH2+]1 ZINC000627478624 356653861 /nfs/dbraw/zinc/65/38/61/356653861.db2.gz POHQSPGVVMMCKO-QWRGUYRKSA-N 2 2 293.371 -0.365 20 0 CBADLP C[C@@H]1CC[C@@H](NC(=O)C(=O)N(C)Cc2[nH+]ccn2C)C[NH2+]1 ZINC000627478622 356653963 /nfs/dbraw/zinc/65/39/63/356653963.db2.gz POHQSPGVVMMCKO-GHMZBOCLSA-N 2 2 293.371 -0.365 20 0 CBADLP C[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C)[NH+]1CCN(C)CC1 ZINC000627650412 356667663 /nfs/dbraw/zinc/66/76/63/356667663.db2.gz IIAYWLUGOKRKMP-MQYQWHSLSA-N 2 2 280.416 -0.359 20 0 CBADLP C[C@@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)[C@@H]1CCC(=O)N1 ZINC000628061992 356685585 /nfs/dbraw/zinc/68/55/85/356685585.db2.gz UMFHUKOJKCUVGV-OLZOCXBDSA-N 2 2 298.431 -0.099 20 0 CBADLP C[C@@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)[C@@H]1CCC(=O)N1 ZINC000628061992 356685588 /nfs/dbraw/zinc/68/55/88/356685588.db2.gz UMFHUKOJKCUVGV-OLZOCXBDSA-N 2 2 298.431 -0.099 20 0 CBADLP Cc1noc([C@H]2CC[N@@H+](CC(=O)N3CC[NH+](C)CC3)C2)n1 ZINC000329030992 202159264 /nfs/dbraw/zinc/15/92/64/202159264.db2.gz LGRUERQHMOERJD-LBPRGKRZSA-N 2 2 293.371 -0.059 20 0 CBADLP Cc1noc([C@H]2CC[N@H+](CC(=O)N3CC[NH+](C)CC3)C2)n1 ZINC000329030992 202159267 /nfs/dbraw/zinc/15/92/67/202159267.db2.gz LGRUERQHMOERJD-LBPRGKRZSA-N 2 2 293.371 -0.059 20 0 CBADLP C[C@@H]1[C@H](C(=O)NC[C@H]2COCC[NH+]2C)CC[N@@H+]1C ZINC000628912221 356737046 /nfs/dbraw/zinc/73/70/46/356737046.db2.gz FYMZTAVSXFWUCG-GRYCIOLGSA-N 2 2 255.362 -0.227 20 0 CBADLP C[C@@H]1[C@H](C(=O)NC[C@H]2COCC[NH+]2C)CC[N@H+]1C ZINC000628912221 356737048 /nfs/dbraw/zinc/73/70/48/356737048.db2.gz FYMZTAVSXFWUCG-GRYCIOLGSA-N 2 2 255.362 -0.227 20 0 CBADLP C[C@@H]1[C@H](C(=O)NC[C@H]2COCC[N@@H+]2C)CC[NH+]1C ZINC000628912221 356737049 /nfs/dbraw/zinc/73/70/49/356737049.db2.gz FYMZTAVSXFWUCG-GRYCIOLGSA-N 2 2 255.362 -0.227 20 0 CBADLP C[C@@H]1[C@H](C(=O)NC[C@H]2COCC[N@H+]2C)CC[NH+]1C ZINC000628912221 356737050 /nfs/dbraw/zinc/73/70/50/356737050.db2.gz FYMZTAVSXFWUCG-GRYCIOLGSA-N 2 2 255.362 -0.227 20 0 CBADLP C[N@H+](CC(=O)NC[C@@H]1COCC[NH+]1C)[C@@H]1CCSC1 ZINC000628918857 356740252 /nfs/dbraw/zinc/74/02/52/356740252.db2.gz PUGRITIPIBJVRE-VXGBXAGGSA-N 2 2 287.429 -0.130 20 0 CBADLP C[N@@H+](CC(=O)NC[C@@H]1COCC[NH+]1C)[C@@H]1CCSC1 ZINC000628918857 356740256 /nfs/dbraw/zinc/74/02/56/356740256.db2.gz PUGRITIPIBJVRE-VXGBXAGGSA-N 2 2 287.429 -0.130 20 0 CBADLP C[NH+](CC(=O)NC[C@@H]1COCC[N@@H+]1C)[C@@H]1CCSC1 ZINC000628918857 356740258 /nfs/dbraw/zinc/74/02/58/356740258.db2.gz PUGRITIPIBJVRE-VXGBXAGGSA-N 2 2 287.429 -0.130 20 0 CBADLP C[NH+](CC(=O)NC[C@@H]1COCC[N@H+]1C)[C@@H]1CCSC1 ZINC000628918857 356740262 /nfs/dbraw/zinc/74/02/62/356740262.db2.gz PUGRITIPIBJVRE-VXGBXAGGSA-N 2 2 287.429 -0.130 20 0 CBADLP C[NH2+]CCOCC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000629531268 356776683 /nfs/dbraw/zinc/77/66/83/356776683.db2.gz GBGDBDFFDYDGJO-QWHCGFSZSA-N 3 2 257.378 -0.421 20 0 CBADLP O=C(C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1)N1CCOCC1 ZINC000629537135 356777280 /nfs/dbraw/zinc/77/72/80/356777280.db2.gz MONVESVCGFUETQ-AWEZNQCLSA-N 2 2 267.373 -0.079 20 0 CBADLP O=C(C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)N1CCOCC1 ZINC000629537135 356777283 /nfs/dbraw/zinc/77/72/83/356777283.db2.gz MONVESVCGFUETQ-AWEZNQCLSA-N 2 2 267.373 -0.079 20 0 CBADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CCS(=O)(=O)N(C)C ZINC000629538698 356777421 /nfs/dbraw/zinc/77/74/21/356777421.db2.gz VJMCYSVTNKNLFN-OUAUKWLOSA-N 2 2 263.407 -0.146 20 0 CBADLP O=S(=O)(CC[NH2+]C1(CO)CC[NH2+]CC1)c1ccccn1 ZINC000629548782 356778512 /nfs/dbraw/zinc/77/85/12/356778512.db2.gz YFXMKDVIIQVOMN-UHFFFAOYSA-N 2 2 299.396 -0.441 20 0 CBADLP C[C@H]([C@@H]1CCC[NH2+]C1)[N@@H+]1CCO[C@H](CC(N)=O)C1 ZINC000629547582 356778707 /nfs/dbraw/zinc/77/87/07/356778707.db2.gz UNKYQBYJNCZFBC-IJLUTSLNSA-N 2 2 255.362 -0.049 20 0 CBADLP C[C@H]([C@@H]1CCC[NH2+]C1)[N@H+]1CCO[C@H](CC(N)=O)C1 ZINC000629547582 356778712 /nfs/dbraw/zinc/77/87/12/356778712.db2.gz UNKYQBYJNCZFBC-IJLUTSLNSA-N 2 2 255.362 -0.049 20 0 CBADLP C[C@@H](C[C@H]1COCC[NH2+]1)NCC[N@@H+]1CC[C@H](O)C1 ZINC000629556758 356779710 /nfs/dbraw/zinc/77/97/10/356779710.db2.gz YJDWYPYQFZWULF-AVGNSLFASA-N 2 2 257.378 -0.590 20 0 CBADLP C[C@@H](C[C@H]1COCC[NH2+]1)NCC[N@H+]1CC[C@H](O)C1 ZINC000629556758 356779713 /nfs/dbraw/zinc/77/97/13/356779713.db2.gz YJDWYPYQFZWULF-AVGNSLFASA-N 2 2 257.378 -0.590 20 0 CBADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCN1CC[C@H](O)C1 ZINC000629556758 356779715 /nfs/dbraw/zinc/77/97/15/356779715.db2.gz YJDWYPYQFZWULF-AVGNSLFASA-N 2 2 257.378 -0.590 20 0 CBADLP NC(=O)c1ccc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)cn1 ZINC000629562233 356779723 /nfs/dbraw/zinc/77/97/23/356779723.db2.gz CIBYHXKFXQCNMX-LBPRGKRZSA-N 2 2 278.356 -0.273 20 0 CBADLP C[C@H](C[C@@H]1COCC[NH2+]1)NCC[N@@H+]1CC[C@H](O)C1 ZINC000629556759 356779761 /nfs/dbraw/zinc/77/97/61/356779761.db2.gz YJDWYPYQFZWULF-UPJWGTAASA-N 2 2 257.378 -0.590 20 0 CBADLP C[C@H](C[C@@H]1COCC[NH2+]1)NCC[N@H+]1CC[C@H](O)C1 ZINC000629556759 356779764 /nfs/dbraw/zinc/77/97/64/356779764.db2.gz YJDWYPYQFZWULF-UPJWGTAASA-N 2 2 257.378 -0.590 20 0 CBADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCN1CC[C@H](O)C1 ZINC000629556759 356779767 /nfs/dbraw/zinc/77/97/67/356779767.db2.gz YJDWYPYQFZWULF-UPJWGTAASA-N 2 2 257.378 -0.590 20 0 CBADLP O=C(NCC[N@H+]1CC[C@@H](O)C1)C1([NH+]2CCOCC2)CCC1 ZINC000629171759 356752137 /nfs/dbraw/zinc/75/21/37/356752137.db2.gz DGHYFVLVVOBRLU-CYBMUJFWSA-N 2 2 297.399 -0.576 20 0 CBADLP O=C(NCC[N@@H+]1CC[C@@H](O)C1)C1([NH+]2CCOCC2)CCC1 ZINC000629171759 356752138 /nfs/dbraw/zinc/75/21/38/356752138.db2.gz DGHYFVLVVOBRLU-CYBMUJFWSA-N 2 2 297.399 -0.576 20 0 CBADLP O[C@H]1CC[N@H+](CCN[C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000629555932 356779859 /nfs/dbraw/zinc/77/98/59/356779859.db2.gz JOJGZDXIFJEZNL-IHRRRGAJSA-N 2 2 269.389 -0.590 20 0 CBADLP O[C@H]1CC[N@@H+](CCN[C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000629555932 356779862 /nfs/dbraw/zinc/77/98/62/356779862.db2.gz JOJGZDXIFJEZNL-IHRRRGAJSA-N 2 2 269.389 -0.590 20 0 CBADLP O[C@H]1CCN(CC[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000629555932 356779865 /nfs/dbraw/zinc/77/98/65/356779865.db2.gz JOJGZDXIFJEZNL-IHRRRGAJSA-N 2 2 269.389 -0.590 20 0 CBADLP O=C(Cn1c[nH+]c2c1CCCC2)NCC[N@H+]1CC[C@@H](O)C1 ZINC000629173706 356753449 /nfs/dbraw/zinc/75/34/49/356753449.db2.gz USJPGWBWRBUYEO-GFCCVEGCSA-N 2 2 292.383 -0.055 20 0 CBADLP O=C(Cn1c[nH+]c2c1CCCC2)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000629173706 356753454 /nfs/dbraw/zinc/75/34/54/356753454.db2.gz USJPGWBWRBUYEO-GFCCVEGCSA-N 2 2 292.383 -0.055 20 0 CBADLP C[C@@H]1CC[C@H]([NH2+]Cc2cn(C)c(=O)n(C)c2=O)C[NH2+]1 ZINC000629394477 356770486 /nfs/dbraw/zinc/77/04/86/356770486.db2.gz IQHXOWNAWSSOLI-KOLCDFICSA-N 2 2 266.345 -0.686 20 0 CBADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000629512974 356776022 /nfs/dbraw/zinc/77/60/22/356776022.db2.gz GTMKYGCRGUUTSN-MCIONIFRSA-N 3 2 298.431 -0.317 20 0 CBADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000629512974 356776025 /nfs/dbraw/zinc/77/60/25/356776025.db2.gz GTMKYGCRGUUTSN-MCIONIFRSA-N 3 2 298.431 -0.317 20 0 CBADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCCN1CCC[C@H]1C(N)=O ZINC000629512974 356776028 /nfs/dbraw/zinc/77/60/28/356776028.db2.gz GTMKYGCRGUUTSN-MCIONIFRSA-N 2 2 298.431 -0.317 20 0 CBADLP C[NH2+]CCOCC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000629531269 356776559 /nfs/dbraw/zinc/77/65/59/356776559.db2.gz GBGDBDFFDYDGJO-STQMWFEESA-N 3 2 257.378 -0.421 20 0 CBADLP CCN(CC[NH3+])C(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000629787474 356792486 /nfs/dbraw/zinc/79/24/86/356792486.db2.gz DWEZFIONYUTYBV-UHFFFAOYSA-N 2 2 268.361 -0.900 20 0 CBADLP CCN(CC[NH3+])C(=O)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000629792607 356793567 /nfs/dbraw/zinc/79/35/67/356793567.db2.gz VFZKRCKPBFHQLL-LLVKDONJSA-N 2 2 293.371 -0.077 20 0 CBADLP CCN(CC[NH3+])C(=O)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000629801931 356796065 /nfs/dbraw/zinc/79/60/65/356796065.db2.gz DNJGEPYFKPDJTJ-NSHDSACASA-N 2 2 293.371 -0.457 20 0 CBADLP C[N@H+](CC(=O)NC[C@@H]1C[NH+]2CCN1CC2)C1CCC1 ZINC000629974416 356813141 /nfs/dbraw/zinc/81/31/41/356813141.db2.gz JSFPJRHVEQHPNP-CYBMUJFWSA-N 2 2 266.389 -0.413 20 0 CBADLP C[N@@H+](CC(=O)NC[C@@H]1C[NH+]2CCN1CC2)C1CCC1 ZINC000629974416 356813144 /nfs/dbraw/zinc/81/31/44/356813144.db2.gz JSFPJRHVEQHPNP-CYBMUJFWSA-N 2 2 266.389 -0.413 20 0 CBADLP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)C1(S(C)(=O)=O)CC1 ZINC000629580459 356783083 /nfs/dbraw/zinc/78/30/83/356783083.db2.gz CLMKALIIHKAVSQ-NEPJUHHUSA-N 2 2 290.429 -0.002 20 0 CBADLP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CC(=O)N1CCOCC1)C2 ZINC000629584628 356783749 /nfs/dbraw/zinc/78/37/49/356783749.db2.gz UEAYWZUYYNBHBK-OKILXGFUSA-N 2 2 267.373 -0.223 20 0 CBADLP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CC(=O)N1CCOCC1)C2 ZINC000629584628 356783753 /nfs/dbraw/zinc/78/37/53/356783753.db2.gz UEAYWZUYYNBHBK-OKILXGFUSA-N 2 2 267.373 -0.223 20 0 CBADLP CN(C)S(=O)(=O)CC[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629592429 356784039 /nfs/dbraw/zinc/78/40/39/356784039.db2.gz CMRXBVIGMCPHKM-TXEJJXNPSA-N 2 2 275.418 -0.191 20 0 CBADLP CN(C)S(=O)(=O)CC[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629592429 356784040 /nfs/dbraw/zinc/78/40/40/356784040.db2.gz CMRXBVIGMCPHKM-TXEJJXNPSA-N 2 2 275.418 -0.191 20 0 CBADLP Cn1nccc1[C@H](CO)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000629584251 356784160 /nfs/dbraw/zinc/78/41/60/356784160.db2.gz NAPNRFPCSCUJSK-RYUDHWBXSA-N 2 2 268.361 -0.500 20 0 CBADLP CC(=O)NC[C@H]1CCCC[N@@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000629595486 356784712 /nfs/dbraw/zinc/78/47/12/356784712.db2.gz QHWXNEIDTDYJTG-OLZOCXBDSA-N 2 2 255.362 -0.035 20 0 CBADLP CC(=O)NC[C@H]1CCCC[N@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000629595486 356784716 /nfs/dbraw/zinc/78/47/16/356784716.db2.gz QHWXNEIDTDYJTG-OLZOCXBDSA-N 2 2 255.362 -0.035 20 0 CBADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C[C@H](O)C(F)(F)F ZINC000629605544 356784980 /nfs/dbraw/zinc/78/49/80/356784980.db2.gz JTERWPSQPNZBHM-IUCAKERBSA-N 2 2 283.294 -0.161 20 0 CBADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C[C@H](O)C(F)(F)F ZINC000629605544 356784982 /nfs/dbraw/zinc/78/49/82/356784982.db2.gz JTERWPSQPNZBHM-IUCAKERBSA-N 2 2 283.294 -0.161 20 0 CBADLP CNS(=O)(=O)C[C@H]1CCC[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000629595770 356785216 /nfs/dbraw/zinc/78/52/16/356785216.db2.gz XDJSDCQVGMODFG-NWDGAFQWSA-N 2 2 291.417 -0.764 20 0 CBADLP CNS(=O)(=O)C[C@H]1CCC[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000629595770 356785217 /nfs/dbraw/zinc/78/52/17/356785217.db2.gz XDJSDCQVGMODFG-NWDGAFQWSA-N 2 2 291.417 -0.764 20 0 CBADLP C[C@H]([NH3+])[C@H](C)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000629606374 356785680 /nfs/dbraw/zinc/78/56/80/356785680.db2.gz GQDVKLFGJFBXAP-SRVKXCTJSA-N 2 2 273.377 -0.879 20 0 CBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CC1CC[NH2+]CC1 ZINC000629607479 356785977 /nfs/dbraw/zinc/78/59/77/356785977.db2.gz UTZZHPGJVJCHEI-AWEZNQCLSA-N 2 2 299.415 -0.472 20 0 CBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C[NH2+]CC1CC1 ZINC000629606675 356786121 /nfs/dbraw/zinc/78/61/21/356786121.db2.gz KZVATVHLKARCFP-ZDUSSCGKSA-N 2 2 285.388 -0.863 20 0 CBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CCC[NH2+]C1 ZINC000629606308 356786421 /nfs/dbraw/zinc/78/64/21/356786421.db2.gz CORLIMJWWOYIAX-CHWSQXEVSA-N 2 2 285.388 -0.863 20 0 CBADLP CC(C)[NH2+]CCC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000629607495 356786962 /nfs/dbraw/zinc/78/69/62/356786962.db2.gz OAPYMBFETPVIFO-ZDUSSCGKSA-N 2 2 287.404 -0.474 20 0 CBADLP CCC[NH2+][C@H](C)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000629607904 356787123 /nfs/dbraw/zinc/78/71/23/356787123.db2.gz RUJBSCOHDPMGCF-CHWSQXEVSA-N 2 2 287.404 -0.474 20 0 CBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Cc1nnc[nH]1 ZINC000631276954 356881750 /nfs/dbraw/zinc/88/17/50/356881750.db2.gz VGHRDDYOGUIKLC-UHFFFAOYSA-N 2 2 294.403 -0.168 20 0 CBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Cc1nnc[nH]1 ZINC000631276954 356881751 /nfs/dbraw/zinc/88/17/51/356881751.db2.gz VGHRDDYOGUIKLC-UHFFFAOYSA-N 2 2 294.403 -0.168 20 0 CBADLP CN1CCN(c2cc(N3C[C@@H]4C[C@H]3C[NH2+]4)nc[nH+]2)CC1=O ZINC000630555271 356850897 /nfs/dbraw/zinc/85/08/97/356850897.db2.gz GMKHRNPKADABBN-QWRGUYRKSA-N 2 2 288.355 -0.695 20 0 CBADLP c1cc(N2C[C@@H]3C[C@H]2C[NH2+]3)nc(N2CCOCC2)[nH+]1 ZINC000630555707 356851047 /nfs/dbraw/zinc/85/10/47/356851047.db2.gz SEVIMQGYFBLOCU-QWRGUYRKSA-N 2 2 261.329 -0.136 20 0 CBADLP CC(C)(CNC(=O)Cn1ccnc1C[NH3+])[NH+]1CCOCC1 ZINC000630584514 356852819 /nfs/dbraw/zinc/85/28/19/356852819.db2.gz SNYKBORFCCMQMC-UHFFFAOYSA-N 2 2 295.387 -0.431 20 0 CBADLP CC(=O)NCc1cn(CC[N@@H+](C)CCC[NH+](C)C)nn1 ZINC000630611607 356855099 /nfs/dbraw/zinc/85/50/99/356855099.db2.gz HRLOMZJONCJUOC-UHFFFAOYSA-N 2 2 282.392 -0.202 20 0 CBADLP CC(=O)NCc1cn(CC[N@H+](C)CCC[NH+](C)C)nn1 ZINC000630611607 356855103 /nfs/dbraw/zinc/85/51/03/356855103.db2.gz HRLOMZJONCJUOC-UHFFFAOYSA-N 2 2 282.392 -0.202 20 0 CBADLP CCN1CC[C@@H]([NH+]2CCC([NH2+]CCO)CC2)C1=O ZINC000631862417 356913581 /nfs/dbraw/zinc/91/35/81/356913581.db2.gz PKFIZVHKISRCTN-GFCCVEGCSA-N 2 2 255.362 -0.347 20 0 CBADLP CCN(CC)C(=O)C[NH+]1CCC([NH2+]CCO)CC1 ZINC000631863550 356913621 /nfs/dbraw/zinc/91/36/21/356913621.db2.gz ZZUSXXWINVHZCF-UHFFFAOYSA-N 2 2 257.378 -0.099 20 0 CBADLP COCCCNC(=O)C[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000631867942 356914593 /nfs/dbraw/zinc/91/45/93/356914593.db2.gz PRSQTTGSOJGATJ-YPMHNXCESA-N 2 2 255.362 -0.129 20 0 CBADLP CNC(=O)NC[C@@H]1COCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000631872853 356914701 /nfs/dbraw/zinc/91/47/01/356914701.db2.gz HGYFCPPFIXYNBN-NEPJUHHUSA-N 2 2 298.387 -0.863 20 0 CBADLP CNC(=O)NC[C@@H]1COCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000631872853 356914704 /nfs/dbraw/zinc/91/47/04/356914704.db2.gz HGYFCPPFIXYNBN-NEPJUHHUSA-N 2 2 298.387 -0.863 20 0 CBADLP CN(C)S(=O)(=O)CC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631889616 356916528 /nfs/dbraw/zinc/91/65/28/356916528.db2.gz IEEZARHUAXIWQG-VXGBXAGGSA-N 2 2 275.418 -0.048 20 0 CBADLP CN(C)S(=O)(=O)CC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631889616 356916531 /nfs/dbraw/zinc/91/65/31/356916531.db2.gz IEEZARHUAXIWQG-VXGBXAGGSA-N 2 2 275.418 -0.048 20 0 CBADLP CN(C)S(=O)(=O)CC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631889615 356916586 /nfs/dbraw/zinc/91/65/86/356916586.db2.gz IEEZARHUAXIWQG-RYUDHWBXSA-N 2 2 275.418 -0.048 20 0 CBADLP CN(C)S(=O)(=O)CC[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631889615 356916590 /nfs/dbraw/zinc/91/65/90/356916590.db2.gz IEEZARHUAXIWQG-RYUDHWBXSA-N 2 2 275.418 -0.048 20 0 CBADLP C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)N1CC[NH2+]CC1 ZINC000631891029 356916699 /nfs/dbraw/zinc/91/66/99/356916699.db2.gz XKZQHBNOWIIGMQ-KGLIPLIRSA-N 3 2 252.406 -0.035 20 0 CBADLP C(C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)N1CC[NH2+]CC1 ZINC000631891029 356916701 /nfs/dbraw/zinc/91/67/01/356916701.db2.gz XKZQHBNOWIIGMQ-KGLIPLIRSA-N 3 2 252.406 -0.035 20 0 CBADLP CN(C1CC[NH2+]CC1)S(=O)(=O)N1CC[NH+](C)CC1 ZINC000631909056 356921966 /nfs/dbraw/zinc/92/19/66/356921966.db2.gz OKCWUWXKURJNIG-UHFFFAOYSA-N 2 2 276.406 -0.838 20 0 CBADLP C[NH+](C)C1(CS(=O)(=O)NCC(F)(F)C[NH3+])CC1 ZINC000631930179 356925162 /nfs/dbraw/zinc/92/51/62/356925162.db2.gz YWYWVZODWTTWDU-UHFFFAOYSA-N 2 2 271.333 -0.406 20 0 CBADLP C[NH+](C)C1(CS(=O)(=O)N[C@@H](CC[NH3+])C(F)F)CC1 ZINC000631943425 356930838 /nfs/dbraw/zinc/93/08/38/356930838.db2.gz WKSXHSITFCBYDD-QMMMGPOBSA-N 2 2 285.360 -0.018 20 0 CBADLP C[C@H](CNS(=O)(=O)C[C@H]1C[N@H+](C)CCO1)C[NH+](C)C ZINC000632358863 356977496 /nfs/dbraw/zinc/97/74/96/356977496.db2.gz ZRXXLZJCMDJIBM-VXGBXAGGSA-N 2 2 293.433 -0.566 20 0 CBADLP C[C@H](CNS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1)C[NH+](C)C ZINC000632358863 356977498 /nfs/dbraw/zinc/97/74/98/356977498.db2.gz ZRXXLZJCMDJIBM-VXGBXAGGSA-N 2 2 293.433 -0.566 20 0 CBADLP C[C@@H](CNS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1)[NH+](C)C ZINC000632417861 356986393 /nfs/dbraw/zinc/98/63/93/356986393.db2.gz PDUWTCSSAPAUCZ-QWRGUYRKSA-N 2 2 279.406 -0.814 20 0 CBADLP C[C@@H](CNS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1)[NH+](C)C ZINC000632417861 356986395 /nfs/dbraw/zinc/98/63/95/356986395.db2.gz PDUWTCSSAPAUCZ-QWRGUYRKSA-N 2 2 279.406 -0.814 20 0 CBADLP CN(CC[NH+](C)C)S(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000632061084 356947750 /nfs/dbraw/zinc/94/77/50/356947750.db2.gz GFYFCKBIFBHICS-LLVKDONJSA-N 2 2 279.406 -0.860 20 0 CBADLP CN(CC[NH+](C)C)S(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000632061084 356947751 /nfs/dbraw/zinc/94/77/51/356947751.db2.gz GFYFCKBIFBHICS-LLVKDONJSA-N 2 2 279.406 -0.860 20 0 CBADLP C[C@H](NS(=O)(=O)CCC[NH+](C)C)[C@@H]1C[N@H+](C)CCO1 ZINC000632123797 356952902 /nfs/dbraw/zinc/95/29/02/356952902.db2.gz JZLYRJAPPCLSQB-RYUDHWBXSA-N 2 2 293.433 -0.423 20 0 CBADLP C[C@H](NS(=O)(=O)CCC[NH+](C)C)[C@@H]1C[N@@H+](C)CCO1 ZINC000632123797 356952905 /nfs/dbraw/zinc/95/29/05/356952905.db2.gz JZLYRJAPPCLSQB-RYUDHWBXSA-N 2 2 293.433 -0.423 20 0 CBADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000632753739 357021763 /nfs/dbraw/zinc/02/17/63/357021763.db2.gz LNHCORGSJHKMCE-WDEREUQCSA-N 2 2 291.355 -0.469 20 0 CBADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000632753739 357021765 /nfs/dbraw/zinc/02/17/65/357021765.db2.gz LNHCORGSJHKMCE-WDEREUQCSA-N 2 2 291.355 -0.469 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000632862775 357029080 /nfs/dbraw/zinc/02/90/80/357029080.db2.gz WIBWVGLJZBBFGR-NWDGAFQWSA-N 2 2 280.372 -0.981 20 0 CBADLP COc1cc[nH+]cc1NC(=O)C(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000633039409 357038041 /nfs/dbraw/zinc/03/80/41/357038041.db2.gz TUWMUFJLUJEMOF-RKDXNWHRSA-N 2 2 278.312 -0.023 20 0 CBADLP CN(Cc1[nH+]ccn1C)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633074753 357040275 /nfs/dbraw/zinc/04/02/75/357040275.db2.gz AQUFRRTVAAZHTM-PHIMTYICSA-N 2 2 291.355 -0.659 20 0 CBADLP CCCN(C(=O)C(=O)N(C)Cc1[nH]cc[nH+]1)[C@H]1CC[NH2+]C1 ZINC000633104401 357046146 /nfs/dbraw/zinc/04/61/46/357046146.db2.gz ARSLVFGHBHTWCX-NSHDSACASA-N 2 2 293.371 -0.031 20 0 CBADLP C[C@@H]1CCN(C(=O)C(=O)N(C)Cc2[nH]cc[nH+]2)C[C@H]1C[NH3+] ZINC000633108676 357046835 /nfs/dbraw/zinc/04/68/35/357046835.db2.gz ZMFIVFSQRRTCSE-GHMZBOCLSA-N 2 2 293.371 -0.189 20 0 CBADLP C[C@@H]1CCCN(C(=O)C(=O)N(C)Cc2[nH]cc[nH+]2)[C@@H]1C[NH3+] ZINC000633106532 357046858 /nfs/dbraw/zinc/04/68/58/357046858.db2.gz UNENTUVUZCKCJA-GHMZBOCLSA-N 2 2 293.371 -0.046 20 0 CBADLP C[NH+]1CCN(C(=O)C(=O)N2CCCCC[C@H]([NH3+])C2)CC1 ZINC000633109319 357047432 /nfs/dbraw/zinc/04/74/32/357047432.db2.gz FEGXXYLXWARUIV-LBPRGKRZSA-N 2 2 282.388 -0.510 20 0 CBADLP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000633137955 357050964 /nfs/dbraw/zinc/05/09/64/357050964.db2.gz AKHZEDJOVUVMTI-RYUDHWBXSA-N 2 2 293.371 -0.320 20 0 CBADLP Cc1cn2c([nH+]1)CN(C(=O)C(=O)N1C[C@H]([NH3+])C[C@@H]1C)CC2 ZINC000633148342 357052971 /nfs/dbraw/zinc/05/29/71/357052971.db2.gz UWZRREYUOWNHFH-WDEREUQCSA-N 2 2 291.355 -0.518 20 0 CBADLP CC(=O)N1CCC[C@@H]1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000633617363 357076173 /nfs/dbraw/zinc/07/61/73/357076173.db2.gz KRABMUATWWSZPT-CQSZACIVSA-N 2 2 298.431 -0.003 20 0 CBADLP CC(=O)N1CCC[C@@H]1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000633617363 357076178 /nfs/dbraw/zinc/07/61/78/357076178.db2.gz KRABMUATWWSZPT-CQSZACIVSA-N 2 2 298.431 -0.003 20 0 CBADLP CCO[C@@H]1COC[C@H]1NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000633714046 357082522 /nfs/dbraw/zinc/08/25/22/357082522.db2.gz LMOGPBNENBYPJT-IJLUTSLNSA-N 2 2 286.376 -0.925 20 0 CBADLP C[C@H](C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1)N1CC[NH2+]CC1=O ZINC000634765281 357134349 /nfs/dbraw/zinc/13/43/49/357134349.db2.gz OKICKYQAFZTCQT-NEPJUHHUSA-N 2 2 296.415 -0.299 20 0 CBADLP C[N@@H+]1CCN(c2cc(-n3cc[nH+]c3)ncn2)[C@H](CO)C1 ZINC000634802036 357137380 /nfs/dbraw/zinc/13/73/80/357137380.db2.gz UTJVKEGDSWLHIZ-NSHDSACASA-N 2 2 274.328 -0.225 20 0 CBADLP C[N@H+]1CCN(c2cc(-n3cc[nH+]c3)ncn2)[C@H](CO)C1 ZINC000634802036 357137382 /nfs/dbraw/zinc/13/73/82/357137382.db2.gz UTJVKEGDSWLHIZ-NSHDSACASA-N 2 2 274.328 -0.225 20 0 CBADLP c1nc(N2CC[C@H]3OCC[NH2+][C@H]3C2)c2c([nH+]1)NCCO2 ZINC000634809259 357137445 /nfs/dbraw/zinc/13/74/45/357137445.db2.gz NLTZISFXZLATBV-VHSXEESVSA-N 2 2 277.328 -0.152 20 0 CBADLP CN(C)C(=O)C[NH+]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000635123200 357148183 /nfs/dbraw/zinc/14/81/83/357148183.db2.gz RIMMNIVICAKIIA-ZDUSSCGKSA-N 2 2 296.415 -0.439 20 0 CBADLP CN(C)C(=O)C[NH+]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000635123200 357148185 /nfs/dbraw/zinc/14/81/85/357148185.db2.gz RIMMNIVICAKIIA-ZDUSSCGKSA-N 2 2 296.415 -0.439 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC000635296136 357155758 /nfs/dbraw/zinc/15/57/58/357155758.db2.gz RCJSJSCCSZBOJI-UHFFFAOYSA-N 2 2 296.415 -0.392 20 0 CBADLP C[C@H](C(=O)N1CC[NH+](CC(C)(C)O)CC1)[NH+](C)C ZINC000635533488 357173496 /nfs/dbraw/zinc/17/34/96/357173496.db2.gz UVTXHNDNHZDAKP-LLVKDONJSA-N 2 2 257.378 -0.148 20 0 CBADLP OCC(CO)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634718801 357129307 /nfs/dbraw/zinc/12/93/07/357129307.db2.gz JHOIEYBPKDHDRL-HNNXBMFYSA-N 2 2 280.368 -0.434 20 0 CBADLP OCC(CO)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634718801 357129309 /nfs/dbraw/zinc/12/93/09/357129309.db2.gz JHOIEYBPKDHDRL-HNNXBMFYSA-N 2 2 280.368 -0.434 20 0 CBADLP C[N@H+](C[C@@H](O)C[NH2+]C1CN(c2ccncn2)C1)C1CC1 ZINC000634728760 357130248 /nfs/dbraw/zinc/13/02/48/357130248.db2.gz NFAGQLNOMZCSSR-ZDUSSCGKSA-N 2 2 277.372 -0.290 20 0 CBADLP C[N@@H+](C[C@@H](O)C[NH2+]C1CN(c2ccncn2)C1)C1CC1 ZINC000634728760 357130251 /nfs/dbraw/zinc/13/02/51/357130251.db2.gz NFAGQLNOMZCSSR-ZDUSSCGKSA-N 2 2 277.372 -0.290 20 0 CBADLP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2cn(CC(N)=O)nn2)C1 ZINC000634734027 357130672 /nfs/dbraw/zinc/13/06/72/357130672.db2.gz UZHCERBBTFKOMP-SNVBAGLBSA-N 2 2 280.376 -0.369 20 0 CBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000635658827 357190453 /nfs/dbraw/zinc/19/04/53/357190453.db2.gz JUHKJSWBSBCPDL-KGLIPLIRSA-N 2 2 299.415 -0.520 20 0 CBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000635658827 357190457 /nfs/dbraw/zinc/19/04/57/357190457.db2.gz JUHKJSWBSBCPDL-KGLIPLIRSA-N 2 2 299.415 -0.520 20 0 CBADLP CCc1c[nH]c(CC(=O)NC[C@@](C)(O)C[NH+](C)C)[nH+]1 ZINC000635727754 357197458 /nfs/dbraw/zinc/19/74/58/357197458.db2.gz NWLVNHFTZRFSNX-CYBMUJFWSA-N 2 2 268.361 -0.057 20 0 CBADLP CC[N@H+](CC(=O)N(C)CC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000636317997 357281369 /nfs/dbraw/zinc/28/13/69/357281369.db2.gz WIDHSBFHWKWLOV-UHFFFAOYSA-N 2 2 296.415 -0.297 20 0 CBADLP CC[N@@H+](CC(=O)N(C)CC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000636317997 357281372 /nfs/dbraw/zinc/28/13/72/357281372.db2.gz WIDHSBFHWKWLOV-UHFFFAOYSA-N 2 2 296.415 -0.297 20 0 CBADLP CCC[N@H+](C)CC(=O)N(C)CC(=O)N1CC[NH+](C)CC1 ZINC000636317833 357281634 /nfs/dbraw/zinc/28/16/34/357281634.db2.gz MMEBNSRLBXMNKE-UHFFFAOYSA-N 2 2 284.404 -0.439 20 0 CBADLP CCC[N@@H+](C)CC(=O)N(C)CC(=O)N1CC[NH+](C)CC1 ZINC000636317833 357281636 /nfs/dbraw/zinc/28/16/36/357281636.db2.gz MMEBNSRLBXMNKE-UHFFFAOYSA-N 2 2 284.404 -0.439 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636558554 357289424 /nfs/dbraw/zinc/28/94/24/357289424.db2.gz WHYOMIFOMUHZDS-RYUDHWBXSA-N 2 2 293.371 -0.172 20 0 CBADLP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000636620479 357293425 /nfs/dbraw/zinc/29/34/25/357293425.db2.gz HKSCZCXYQKCUFG-JTQLQIEISA-N 2 2 281.360 -0.176 20 0 CBADLP COCC[N@H+](C)CCNC(=O)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000636661083 357295873 /nfs/dbraw/zinc/29/58/73/357295873.db2.gz DKPMATPWOZCDBG-UHFFFAOYSA-N 2 2 297.359 -0.938 20 0 CBADLP COCC[N@@H+](C)CCNC(=O)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000636661083 357295875 /nfs/dbraw/zinc/29/58/75/357295875.db2.gz DKPMATPWOZCDBG-UHFFFAOYSA-N 2 2 297.359 -0.938 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000636752383 357300711 /nfs/dbraw/zinc/30/07/11/357300711.db2.gz RDQMYOJSXPJLEA-NWDGAFQWSA-N 2 2 293.371 -0.172 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000636752383 357300714 /nfs/dbraw/zinc/30/07/14/357300714.db2.gz RDQMYOJSXPJLEA-NWDGAFQWSA-N 2 2 293.371 -0.172 20 0 CBADLP C[C@@H](C(=O)N(C)CC(=O)N1CC[NH+](C)CC1)[NH+](C)C ZINC000636316443 357280132 /nfs/dbraw/zinc/28/01/32/357280132.db2.gz OQZCRKZJOBTBEI-NSHDSACASA-N 2 2 270.377 -0.831 20 0 CBADLP C[C@@H](C(=O)NC[C@@H]1CCCC[NH2+]1)N1CC[NH2+]CC1=O ZINC000637817649 357370474 /nfs/dbraw/zinc/37/04/74/357370474.db2.gz YAQGWTZSLAWWFT-QWRGUYRKSA-N 2 2 268.361 -0.935 20 0 CBADLP C[NH2+][C@@H]1CCCN(C(=O)[C@@H](C)N2CC[NH2+]CC2=O)C1 ZINC000637822378 357371522 /nfs/dbraw/zinc/37/15/22/357371522.db2.gz KDDLZHNPHIPUIP-GHMZBOCLSA-N 2 2 268.361 -0.983 20 0 CBADLP C[C@@H](C(=O)NC1(C[NH3+])CCCC1)N1CC[NH2+]CC1=O ZINC000637840091 357375207 /nfs/dbraw/zinc/37/52/07/357375207.db2.gz NJLOWPYOFCNLTP-JTQLQIEISA-N 2 2 268.361 -0.806 20 0 CBADLP C[NH+]1CCN(C(=O)NC[C@@H]2COCC[N@@H+]2C)CC1 ZINC000637447257 357352942 /nfs/dbraw/zinc/35/29/42/357352942.db2.gz XWFKXPODQFSHCI-LLVKDONJSA-N 2 2 256.350 -0.726 20 0 CBADLP C[NH+]1CCN(C(=O)NC[C@@H]2COCC[N@H+]2C)CC1 ZINC000637447257 357352946 /nfs/dbraw/zinc/35/29/46/357352946.db2.gz XWFKXPODQFSHCI-LLVKDONJSA-N 2 2 256.350 -0.726 20 0 CBADLP C[NH2+]C[C@H]1CCCN1C(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000637861558 357378558 /nfs/dbraw/zinc/37/85/58/357378558.db2.gz GQPIWRAWBULJIE-WDEREUQCSA-N 2 2 268.361 -0.983 20 0 CBADLP CN(Cc1ccccc1)C[C@@H]([NH3+])C(=O)N1CC[NH2+]CC1 ZINC000637800390 357365208 /nfs/dbraw/zinc/36/52/08/357365208.db2.gz DIZKCOIYAXRHMS-CQSZACIVSA-N 2 2 276.384 -0.123 20 0 CBADLP C[C@@H](C(=O)NCC1([NH3+])CCCCC1)N1CC[NH2+]CC1=O ZINC000637800378 357365866 /nfs/dbraw/zinc/36/58/66/357365866.db2.gz CTLULUHVFCZYJR-NSHDSACASA-N 2 2 282.388 -0.416 20 0 CBADLP C[C@@H](C(=O)N(C1CC1)C1CC[NH2+]CC1)N1CC[NH2+]CC1=O ZINC000637805606 357367397 /nfs/dbraw/zinc/36/73/97/357367397.db2.gz ASWAYTLAUAYVCR-NSHDSACASA-N 2 2 294.399 -0.450 20 0 CBADLP CCOCC[NH+]1CCN(Cc2c[nH+]c(N)nc2N)CC1 ZINC000637891335 357382470 /nfs/dbraw/zinc/38/24/70/357382470.db2.gz HJCBGGNWCSFYLO-UHFFFAOYSA-N 2 2 280.376 -0.544 20 0 CBADLP Nc1nc(N)c(CN2CC[NH+](CC3CC3)CC2)c[nH+]1 ZINC000637940473 357389138 /nfs/dbraw/zinc/38/91/38/357389138.db2.gz IKMGRZUEYIJDEQ-UHFFFAOYSA-N 2 2 262.361 -0.171 20 0 CBADLP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000638048803 357404909 /nfs/dbraw/zinc/40/49/09/357404909.db2.gz HNKICDKUAGUORY-SWLSCSKDSA-N 2 2 299.415 -0.020 20 0 CBADLP O=C(CN1CC[NH2+]CC1)NCc1cn2ccccc2[nH+]1 ZINC000638051664 357406112 /nfs/dbraw/zinc/40/61/12/357406112.db2.gz NYAAPTQVXFSUSI-UHFFFAOYSA-N 2 2 273.340 -0.144 20 0 CBADLP CC[NH2+][C@@H](C)C(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000638055755 357406239 /nfs/dbraw/zinc/40/62/39/357406239.db2.gz ISOVSMNPCNUDQD-RYUDHWBXSA-N 2 2 296.415 -0.204 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@@]2(C)C[C@H](OC)C[NH2+]2)CC1 ZINC000638055137 357406481 /nfs/dbraw/zinc/40/64/81/357406481.db2.gz GKCCEYFUFOONFI-GXTWGEPZSA-N 2 2 285.388 -0.456 20 0 CBADLP CCOCC[NH+]1CCN(C(=O)[C@]2(C)C[C@@H](OC)C[NH2+]2)CC1 ZINC000638058006 357407011 /nfs/dbraw/zinc/40/70/11/357407011.db2.gz FVEIUSAPMJDJEP-HIFRSBDPSA-N 2 2 299.415 -0.066 20 0 CBADLP C[C@]1(C(=O)N2CC[NH+](C3CC3)CC2)C[NH2+]CCO1 ZINC000638061478 357407247 /nfs/dbraw/zinc/40/72/47/357407247.db2.gz DHPKYCIGENMRMC-CYBMUJFWSA-N 2 2 253.346 -0.329 20 0 CBADLP CN(C)c1ccc(CNC(=O)CN2CC[NH2+]CC2)c[nH+]1 ZINC000638068911 357408629 /nfs/dbraw/zinc/40/86/29/357408629.db2.gz MWKGZJBBVHFWMJ-UHFFFAOYSA-N 2 2 277.372 -0.331 20 0 CBADLP C[C@H](C(=O)N1CCC(C[NH+](C)C)CC1)N1CC[NH2+]CC1=O ZINC000638065991 357408988 /nfs/dbraw/zinc/40/89/88/357408988.db2.gz CZADORGQHVSWIP-GFCCVEGCSA-N 2 2 296.415 -0.393 20 0 CBADLP C[C@H](C(=O)N(C)C[C@H]1CCC[N@H+](C)C1)N1CC[NH2+]CC1=O ZINC000638071012 357409335 /nfs/dbraw/zinc/40/93/35/357409335.db2.gz DIAVUUBRZPWACG-OLZOCXBDSA-N 2 2 296.415 -0.393 20 0 CBADLP C[C@H](C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)N1CC[NH2+]CC1=O ZINC000638071012 357409340 /nfs/dbraw/zinc/40/93/40/357409340.db2.gz DIAVUUBRZPWACG-OLZOCXBDSA-N 2 2 296.415 -0.393 20 0 CBADLP C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638069330 357410005 /nfs/dbraw/zinc/41/00/05/357410005.db2.gz JDJXVGRLEWWRGJ-STQMWFEESA-N 2 2 296.415 -0.203 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638069773 357410027 /nfs/dbraw/zinc/41/00/27/357410027.db2.gz MNIISGCXMKZGNX-DGCLKSJQSA-N 2 2 271.361 -0.798 20 0 CBADLP CC[NH2+][C@H](C)C(=O)NCC[NH+]1CCN(C(C)=O)CC1 ZINC000638070612 357410114 /nfs/dbraw/zinc/41/01/14/357410114.db2.gz SLHISCURVOUOHQ-LLVKDONJSA-N 2 2 270.377 -0.735 20 0 CBADLP C[C@H](C[NH+]1CCCCC1)NC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638069322 357410121 /nfs/dbraw/zinc/41/01/21/357410121.db2.gz JDJXVGRLEWWRGJ-CHWSQXEVSA-N 2 2 296.415 -0.203 20 0 CBADLP C[C@H](C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CC[NH2+]CC1=O ZINC000638072287 357410580 /nfs/dbraw/zinc/41/05/80/357410580.db2.gz MDQMVSOXUPKHOL-NEPJUHHUSA-N 2 2 294.399 -0.593 20 0 CBADLP C[C@H](C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)N1CC[NH2+]CC1=O ZINC000638072287 357410583 /nfs/dbraw/zinc/41/05/83/357410583.db2.gz MDQMVSOXUPKHOL-NEPJUHHUSA-N 2 2 294.399 -0.593 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638074516 357410686 /nfs/dbraw/zinc/41/06/86/357410686.db2.gz XJJKWYGROWXVEA-PWSUYJOCSA-N 2 2 252.318 -0.234 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638073579 357410761 /nfs/dbraw/zinc/41/07/61/357410761.db2.gz NRXWEAICTRSFDS-MNOVXSKESA-N 2 2 279.344 -0.792 20 0 CBADLP C[C@H](CNC(=O)[C@H](C)N1CC[NH2+]CC1=O)C[NH+]1CCCC1 ZINC000638074568 357411127 /nfs/dbraw/zinc/41/11/27/357411127.db2.gz MRESMQYGHUPWFU-OLZOCXBDSA-N 2 2 296.415 -0.345 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638074517 357411150 /nfs/dbraw/zinc/41/11/50/357411150.db2.gz XJJKWYGROWXVEA-ZYHUDNBSSA-N 2 2 252.318 -0.234 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1OCC[C@@H]1[NH3+])Cn1cc[nH+]c1 ZINC000638077955 357412000 /nfs/dbraw/zinc/41/20/00/357412000.db2.gz ZJHJMGOCFLNZRP-OUAUKWLOSA-N 2 2 252.318 -0.248 20 0 CBADLP C[C@@H](C(=O)N[C@@H]1CCC[N@H+](C)C1)N1CC[NH2+]CC1=O ZINC000638080153 357412106 /nfs/dbraw/zinc/41/21/06/357412106.db2.gz ZOQHQBJRKREAPZ-WDEREUQCSA-N 2 2 268.361 -0.983 20 0 CBADLP C[C@@H](C(=O)N[C@@H]1CCC[N@@H+](C)C1)N1CC[NH2+]CC1=O ZINC000638080153 357412112 /nfs/dbraw/zinc/41/21/12/357412112.db2.gz ZOQHQBJRKREAPZ-WDEREUQCSA-N 2 2 268.361 -0.983 20 0 CBADLP C[NH+](C)C[C@@H]1CCN(Cc2c[nH+]c(N)nc2N)C1 ZINC000638077463 357412864 /nfs/dbraw/zinc/41/28/64/357412864.db2.gz TXCSTIFTQRRNTD-VIFPVBQESA-N 2 2 250.350 -0.315 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@]2(C)C[NH2+]CCO2)CCO1 ZINC000638091279 357414383 /nfs/dbraw/zinc/41/43/83/357414383.db2.gz STYLECRVEGABNN-YPMHNXCESA-N 2 2 271.361 -0.798 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@]2(C)C[NH2+]CCO2)CCO1 ZINC000638091279 357414388 /nfs/dbraw/zinc/41/43/88/357414388.db2.gz STYLECRVEGABNN-YPMHNXCESA-N 2 2 271.361 -0.798 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)C2=CC[C@@H]([NH3+])C2)CCO1 ZINC000638091787 357414622 /nfs/dbraw/zinc/41/46/22/357414622.db2.gz YVGLXKQTMUDKJM-ZYHUDNBSSA-N 2 2 253.346 -0.129 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)C2=CC[C@@H]([NH3+])C2)CCO1 ZINC000638091787 357414626 /nfs/dbraw/zinc/41/46/26/357414626.db2.gz YVGLXKQTMUDKJM-ZYHUDNBSSA-N 2 2 253.346 -0.129 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638097444 357415951 /nfs/dbraw/zinc/41/59/51/357415951.db2.gz FBDMBESSERNNSV-ZYHUDNBSSA-N 2 2 253.346 -0.129 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638097444 357415953 /nfs/dbraw/zinc/41/59/53/357415953.db2.gz FBDMBESSERNNSV-ZYHUDNBSSA-N 2 2 253.346 -0.129 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)CCC1C[NH2+]C1 ZINC000638097823 357415991 /nfs/dbraw/zinc/41/59/91/357415991.db2.gz HAYILAMGGIYZOL-NSHDSACASA-N 2 2 255.362 -0.177 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)CCC1C[NH2+]C1 ZINC000638097823 357415992 /nfs/dbraw/zinc/41/59/92/357415992.db2.gz HAYILAMGGIYZOL-NSHDSACASA-N 2 2 255.362 -0.177 20 0 CBADLP C[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1)N1CC[NH2+]CC1=O ZINC000638100237 357416626 /nfs/dbraw/zinc/41/66/26/357416626.db2.gz LLESUGDMUXBBPQ-WCQYABFASA-N 2 2 294.399 -0.498 20 0 CBADLP C[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1)N1CC[NH2+]CC1=O ZINC000638100237 357416631 /nfs/dbraw/zinc/41/66/31/357416631.db2.gz LLESUGDMUXBBPQ-WCQYABFASA-N 2 2 294.399 -0.498 20 0 CBADLP C[C@H](CNC(=O)[C@@H](C)N1CC[NH2+]CC1=O)[N@H+](C)C1CC1 ZINC000638101065 357416729 /nfs/dbraw/zinc/41/67/29/357416729.db2.gz NAEZGEVSUGDYPL-GHMZBOCLSA-N 2 2 282.388 -0.594 20 0 CBADLP C[C@H](CNC(=O)[C@@H](C)N1CC[NH2+]CC1=O)[N@@H+](C)C1CC1 ZINC000638101065 357416733 /nfs/dbraw/zinc/41/67/33/357416733.db2.gz NAEZGEVSUGDYPL-GHMZBOCLSA-N 2 2 282.388 -0.594 20 0 CBADLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638098929 357417029 /nfs/dbraw/zinc/41/70/29/357417029.db2.gz QRJKKWIUPGOODE-AWEZNQCLSA-N 2 2 285.388 -0.408 20 0 CBADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638098929 357417032 /nfs/dbraw/zinc/41/70/32/357417032.db2.gz QRJKKWIUPGOODE-AWEZNQCLSA-N 2 2 285.388 -0.408 20 0 CBADLP CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638102318 357417970 /nfs/dbraw/zinc/41/79/70/357417970.db2.gz SVXRGVWEIWQIOM-OLZOCXBDSA-N 2 2 296.415 -0.203 20 0 CBADLP CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638102318 357417975 /nfs/dbraw/zinc/41/79/75/357417975.db2.gz SVXRGVWEIWQIOM-OLZOCXBDSA-N 2 2 296.415 -0.203 20 0 CBADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638102317 357418098 /nfs/dbraw/zinc/41/80/98/357418098.db2.gz SVXRGVWEIWQIOM-CHWSQXEVSA-N 2 2 296.415 -0.203 20 0 CBADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638102317 357418103 /nfs/dbraw/zinc/41/81/03/357418103.db2.gz SVXRGVWEIWQIOM-CHWSQXEVSA-N 2 2 296.415 -0.203 20 0 CBADLP C[C@@H](NC(=O)CN1CC[NH2+]CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000638102131 357418412 /nfs/dbraw/zinc/41/84/12/357418412.db2.gz RZUHQFDUIFEGBW-CHWSQXEVSA-N 2 2 284.404 -0.883 20 0 CBADLP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCc2[nH+]ccn2C)C1 ZINC000638104387 357418642 /nfs/dbraw/zinc/41/86/42/357418642.db2.gz ZCMWRVJNCHYOCX-CABZTGNLSA-N 2 2 252.318 -0.197 20 0 CBADLP C[C@H]([C@H](C)NC(=O)[C@]1(C[NH3+])CCCOC1)[NH+]1CCOCC1 ZINC000638102859 357418688 /nfs/dbraw/zinc/41/86/88/357418688.db2.gz WOYRFHKQKTTXBD-GUTXKFCHSA-N 2 2 299.415 -0.033 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3OCC[C@@H]3[NH3+])C2)CC1 ZINC000638116872 357421107 /nfs/dbraw/zinc/42/11/07/357421107.db2.gz MCPASBDFHFCYQO-FPMFFAJLSA-N 3 2 296.415 -0.613 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3OCC[C@@H]3[NH3+])C2)CC1 ZINC000638116872 357421108 /nfs/dbraw/zinc/42/11/08/357421108.db2.gz MCPASBDFHFCYQO-FPMFFAJLSA-N 3 2 296.415 -0.613 20 0 CBADLP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)N2CC[NH2+]CC2=O)C1 ZINC000638127454 357423160 /nfs/dbraw/zinc/42/31/60/357423160.db2.gz JITPPDLDQUCIRT-OLZOCXBDSA-N 2 2 296.415 -0.393 20 0 CBADLP CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)N2CC[NH2+]CC2=O)C1 ZINC000638127454 357423164 /nfs/dbraw/zinc/42/31/64/357423164.db2.gz JITPPDLDQUCIRT-OLZOCXBDSA-N 2 2 296.415 -0.393 20 0 CBADLP C[C@H](C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C)N1CC[NH2+]CC1=O ZINC000638133989 357424263 /nfs/dbraw/zinc/42/42/63/357424263.db2.gz KBBKMSIHIGDMOC-NQBHXWOUSA-N 2 2 294.399 -0.594 20 0 CBADLP C[C@H](C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C)N1CC[NH2+]CC1=O ZINC000638133989 357424264 /nfs/dbraw/zinc/42/42/64/357424264.db2.gz KBBKMSIHIGDMOC-NQBHXWOUSA-N 2 2 294.399 -0.594 20 0 CBADLP C[C@H](C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1)N1CC[NH2+]CC1=O ZINC000638135699 357424490 /nfs/dbraw/zinc/42/44/90/357424490.db2.gz WAPWJKYNJWPESX-TUAOUCFPSA-N 2 2 294.399 -0.452 20 0 CBADLP C[C@H](C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1)N1CC[NH2+]CC1=O ZINC000638135699 357424491 /nfs/dbraw/zinc/42/44/91/357424491.db2.gz WAPWJKYNJWPESX-TUAOUCFPSA-N 2 2 294.399 -0.452 20 0 CBADLP C[C@@H](CNC(=O)C1=CC[C@@H]([NH3+])C1)[NH+]1CCN(C)CC1 ZINC000638139960 357425430 /nfs/dbraw/zinc/42/54/30/357425430.db2.gz IJJLOJAOBHOWJE-WCQYABFASA-N 2 2 266.389 -0.214 20 0 CBADLP C[C@@H](C(=O)N1CCC2(CC[NH2+]C2)CC1)N1CC[NH2+]CC1=O ZINC000638245521 357443370 /nfs/dbraw/zinc/44/33/70/357443370.db2.gz DEVGTOZITHEIET-LBPRGKRZSA-N 2 2 294.399 -0.591 20 0 CBADLP NS(=O)(=O)c1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000638186388 357433692 /nfs/dbraw/zinc/43/36/92/357433692.db2.gz SJNUDJGGJLEIRM-TXEJJXNPSA-N 2 2 281.381 -0.015 20 0 CBADLP NS(=O)(=O)c1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000638186388 357433695 /nfs/dbraw/zinc/43/36/95/357433695.db2.gz SJNUDJGGJLEIRM-TXEJJXNPSA-N 2 2 281.381 -0.015 20 0 CBADLP C[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)N1CC[NH2+]CC1=O ZINC000638198090 357434436 /nfs/dbraw/zinc/43/44/36/357434436.db2.gz SUCUEZJJPONZSB-UTUOFQBUSA-N 2 2 280.372 -0.840 20 0 CBADLP C[C@H](C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)N1CC[NH2+]CC1=O ZINC000638198666 357434490 /nfs/dbraw/zinc/43/44/90/357434490.db2.gz LABQWPRNNMVOLR-GRYCIOLGSA-N 2 2 280.372 -0.983 20 0 CBADLP C[C@H](C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)N1CC[NH2+]CC1=O ZINC000638198221 357434566 /nfs/dbraw/zinc/43/45/66/357434566.db2.gz TWSZLJXFOOIOKT-GMTAPVOTSA-N 2 2 268.361 -0.807 20 0 CBADLP C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000637861549 357378666 /nfs/dbraw/zinc/37/86/66/357378666.db2.gz GQPIWRAWBULJIE-GHMZBOCLSA-N 2 2 268.361 -0.983 20 0 CBADLP C[N@@H+]1CCN(C(=O)Cn2cc(Cl)cn2)[C@@H](C[NH3+])C1 ZINC000637864772 357379055 /nfs/dbraw/zinc/37/90/55/357379055.db2.gz XPUOHPNQQGKYGO-JTQLQIEISA-N 2 2 271.752 -0.362 20 0 CBADLP C[N@H+]1CCN(C(=O)Cn2cc(Cl)cn2)[C@@H](C[NH3+])C1 ZINC000637864772 357379060 /nfs/dbraw/zinc/37/90/60/357379060.db2.gz XPUOHPNQQGKYGO-JTQLQIEISA-N 2 2 271.752 -0.362 20 0 CBADLP Cc1c(CC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cnn1C ZINC000637864539 357379463 /nfs/dbraw/zinc/37/94/63/357379463.db2.gz SZJRKRVUWNIIJN-GFCCVEGCSA-N 2 2 265.361 -0.628 20 0 CBADLP Cc1c(CC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cnn1C ZINC000637864539 357379465 /nfs/dbraw/zinc/37/94/65/357379465.db2.gz SZJRKRVUWNIIJN-GFCCVEGCSA-N 2 2 265.361 -0.628 20 0 CBADLP C[N@@H+]1CCN(C(=O)c2cc(F)c[nH]c2=O)[C@H](C[NH3+])C1 ZINC000637866705 357379501 /nfs/dbraw/zinc/37/95/01/357379501.db2.gz PDMVAVJHLMBVBP-SECBINFHSA-N 2 2 268.292 -0.359 20 0 CBADLP C[N@H+]1CCN(C(=O)c2cc(F)c[nH]c2=O)[C@H](C[NH3+])C1 ZINC000637866705 357379503 /nfs/dbraw/zinc/37/95/03/357379503.db2.gz PDMVAVJHLMBVBP-SECBINFHSA-N 2 2 268.292 -0.359 20 0 CBADLP Cn1cnc2cncc(C(=O)N3CC[N@H+](C)C[C@@H]3C[NH3+])c21 ZINC000637864320 357379606 /nfs/dbraw/zinc/37/96/06/357379606.db2.gz PPROVHRCZQWNPP-JTQLQIEISA-N 2 2 288.355 -0.317 20 0 CBADLP Cn1cnc2cncc(C(=O)N3CC[N@@H+](C)C[C@@H]3C[NH3+])c21 ZINC000637864320 357379607 /nfs/dbraw/zinc/37/96/07/357379607.db2.gz PPROVHRCZQWNPP-JTQLQIEISA-N 2 2 288.355 -0.317 20 0 CBADLP COCC[NH+]1CCN(Cc2c[nH+]c(N)nc2N)CC1 ZINC000637881387 357381711 /nfs/dbraw/zinc/38/17/11/357381711.db2.gz ICXCQKXTFBAWFU-UHFFFAOYSA-N 2 2 266.349 -0.934 20 0 CBADLP CCOC[C@H]1CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CCO1 ZINC000638606776 357500963 /nfs/dbraw/zinc/50/09/63/357500963.db2.gz YUUXCZCETJYKQG-NEPJUHHUSA-N 2 2 273.377 -0.471 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638608380 357501586 /nfs/dbraw/zinc/50/15/86/357501586.db2.gz APIYPNLLRPGIQH-AAEUAGOBSA-N 2 2 271.361 -0.811 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638608380 357501588 /nfs/dbraw/zinc/50/15/88/357501588.db2.gz APIYPNLLRPGIQH-AAEUAGOBSA-N 2 2 271.361 -0.811 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000638608889 357501695 /nfs/dbraw/zinc/50/16/95/357501695.db2.gz CWHMHJMHLRWCEA-LOWVWBTDSA-N 2 2 253.346 -0.567 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000638608889 357501696 /nfs/dbraw/zinc/50/16/96/357501696.db2.gz CWHMHJMHLRWCEA-LOWVWBTDSA-N 2 2 253.346 -0.567 20 0 CBADLP COCCC1(C(=O)NC[C@@H]2COCC[N@@H+]2C)CC[NH2+]CC1 ZINC000638610097 357502172 /nfs/dbraw/zinc/50/21/72/357502172.db2.gz IMRPTLKODOMSGJ-CYBMUJFWSA-N 2 2 299.415 -0.161 20 0 CBADLP COCCC1(C(=O)NC[C@@H]2COCC[N@H+]2C)CC[NH2+]CC1 ZINC000638610097 357502176 /nfs/dbraw/zinc/50/21/76/357502176.db2.gz IMRPTLKODOMSGJ-CYBMUJFWSA-N 2 2 299.415 -0.161 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)COC1CC[NH2+]CC1 ZINC000638612615 357505050 /nfs/dbraw/zinc/50/50/50/357505050.db2.gz VWCXVJWWURBUQJ-LLVKDONJSA-N 2 2 271.361 -0.798 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)COC1CC[NH2+]CC1 ZINC000638612615 357505054 /nfs/dbraw/zinc/50/50/54/357505054.db2.gz VWCXVJWWURBUQJ-LLVKDONJSA-N 2 2 271.361 -0.798 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000638612680 357505463 /nfs/dbraw/zinc/50/54/63/357505463.db2.gz XJJUPQQLZQMPKJ-RYUDHWBXSA-N 2 2 255.362 -0.035 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000638612680 357505465 /nfs/dbraw/zinc/50/54/65/357505465.db2.gz XJJUPQQLZQMPKJ-RYUDHWBXSA-N 2 2 255.362 -0.035 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H]1Cc2ccccc2NC1=O ZINC000638626076 357512455 /nfs/dbraw/zinc/51/24/55/357512455.db2.gz JIXMJANHSNATPN-WCQYABFASA-N 2 2 290.367 -0.055 20 0 CBADLP C[C@@H](C(=O)N(C)C1(C[NH3+])CCC1)N1CC[NH2+]CC1=O ZINC000638262266 357445445 /nfs/dbraw/zinc/44/54/45/357445445.db2.gz MIAYUBGTBAKYDC-JTQLQIEISA-N 2 2 268.361 -0.854 20 0 CBADLP CN(CCC[NH+]1CCN(C)CC1)C(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638277512 357449305 /nfs/dbraw/zinc/44/93/05/357449305.db2.gz BKVHQKNMMOMJPF-HNNXBMFYSA-N 2 2 298.431 -0.539 20 0 CBADLP C[C@H](C(=O)N1CCCC[C@H]1C[NH+](C)C)N1CC[NH2+]CC1=O ZINC000638277988 357449421 /nfs/dbraw/zinc/44/94/21/357449421.db2.gz XXNHDJFNNFHORH-OLZOCXBDSA-N 2 2 296.415 -0.251 20 0 CBADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)[C@@H]2OCC[C@@H]2[NH3+])C[C@H](C)O1 ZINC000638283372 357450752 /nfs/dbraw/zinc/45/07/52/357450752.db2.gz XQJMZRDXNGMQLL-QNWHQSFQSA-N 2 2 285.388 -0.330 20 0 CBADLP C[C@@H]1C[N@H+](CCN(C)C(=O)[C@@H]2OCC[C@@H]2[NH3+])C[C@H](C)O1 ZINC000638283372 357450756 /nfs/dbraw/zinc/45/07/56/357450756.db2.gz XQJMZRDXNGMQLL-QNWHQSFQSA-N 2 2 285.388 -0.330 20 0 CBADLP C[C@@H](C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C)N1CC[NH2+]CC1=O ZINC000638286814 357451925 /nfs/dbraw/zinc/45/19/25/357451925.db2.gz RJPPLEZGRVNJNQ-AGIUHOORSA-N 2 2 296.415 -0.395 20 0 CBADLP C[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C)N1CC[NH2+]CC1=O ZINC000638286814 357451926 /nfs/dbraw/zinc/45/19/26/357451926.db2.gz RJPPLEZGRVNJNQ-AGIUHOORSA-N 2 2 296.415 -0.395 20 0 CBADLP C[C@@H](C(=O)N(C)CCCn1cc[nH+]c1)N1CC[NH2+]CC1=O ZINC000638299731 357452978 /nfs/dbraw/zinc/45/29/78/357452978.db2.gz DFWRJAHOLWDZOV-LBPRGKRZSA-N 2 2 293.371 -0.448 20 0 CBADLP C[C@@H](C(=O)N(C)CC1CC[NH+](C)CC1)N1CC[NH2+]CC1=O ZINC000638376071 357463633 /nfs/dbraw/zinc/46/36/33/357463633.db2.gz HKALISOFXSEVIR-LBPRGKRZSA-N 2 2 296.415 -0.393 20 0 CBADLP C[C@H](C(=O)NCCC[NH2+]C1CC1)N1CC[NH2+]CC1=O ZINC000638375236 357463933 /nfs/dbraw/zinc/46/39/33/357463933.db2.gz WEKKSUFRSKMALI-SNVBAGLBSA-N 2 2 268.361 -0.935 20 0 CBADLP C[NH+](C)[C@@H](CNCc1c[nH+]c(N)nc1N)C1CC1 ZINC000638392062 357467030 /nfs/dbraw/zinc/46/70/30/357467030.db2.gz WSXUDOVPAAKRQT-JTQLQIEISA-N 2 2 250.350 -0.268 20 0 CBADLP COCCOCC[NH+]1CCN(C(=O)C2=CC[C@@H]([NH3+])C2)CC1 ZINC000638395248 357467515 /nfs/dbraw/zinc/46/75/15/357467515.db2.gz ANGWAYUEMZGGGL-CQSZACIVSA-N 2 2 297.399 -0.159 20 0 CBADLP C[C@H](C(=O)NCCC1CC[NH2+]CC1)N1CC[NH2+]CC1=O ZINC000638394493 357467545 /nfs/dbraw/zinc/46/75/45/357467545.db2.gz WILJJNRMNQPLJM-LLVKDONJSA-N 2 2 282.388 -0.687 20 0 CBADLP C[C@@H](C(=O)N1CC[C@@H]([NH3+])C[C@H]1C)N1CC[NH2+]CC1=O ZINC000638397090 357468045 /nfs/dbraw/zinc/46/80/45/357468045.db2.gz NUDPGUXORRXTAD-OUAUKWLOSA-N 2 2 268.361 -0.855 20 0 CBADLP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)C1 ZINC000638405180 357469137 /nfs/dbraw/zinc/46/91/37/357469137.db2.gz AGRTZUISKLMGQX-ABHRYQDASA-N 2 2 299.415 -0.021 20 0 CBADLP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCC[N@H+]2C[C@H](C)OC[C@@H]2C)C1 ZINC000638405180 357469142 /nfs/dbraw/zinc/46/91/42/357469142.db2.gz AGRTZUISKLMGQX-ABHRYQDASA-N 2 2 299.415 -0.021 20 0 CBADLP C[C@H](CCNC(=O)[C@@H](C)N1CC[NH2+]CC1=O)[NH+](C)C ZINC000638408669 357470834 /nfs/dbraw/zinc/47/08/34/357470834.db2.gz IFFQXSPNPYXVJP-GHMZBOCLSA-N 2 2 270.377 -0.737 20 0 CBADLP CCn1cc[nH+]c1[C@H](C)NC(=O)CN1CC[NH2+]CC1 ZINC000638425498 357473912 /nfs/dbraw/zinc/47/39/12/357473912.db2.gz GVDSEDQARGYISM-NSHDSACASA-N 2 2 265.361 -0.015 20 0 CBADLP O=C(CCC1C[NH2+]C1)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000638425163 357474368 /nfs/dbraw/zinc/47/43/68/357474368.db2.gz LKSNPMDTAOYLON-ZDUSSCGKSA-N 2 2 266.389 -0.508 20 0 CBADLP O=C(CCC1C[NH2+]C1)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000638425163 357474372 /nfs/dbraw/zinc/47/43/72/357474372.db2.gz LKSNPMDTAOYLON-ZDUSSCGKSA-N 2 2 266.389 -0.508 20 0 CBADLP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000638440952 357477348 /nfs/dbraw/zinc/47/73/48/357477348.db2.gz XQFLKKMCFVHEIS-CHWSQXEVSA-N 2 2 296.415 -0.203 20 0 CBADLP CO[C@H](C[NH2+]CC(=O)N1CC[NH+](C)CC1)C1CCOCC1 ZINC000638439588 357477600 /nfs/dbraw/zinc/47/76/00/357477600.db2.gz HQJNJVXFFYXEIZ-CQSZACIVSA-N 2 2 299.415 -0.208 20 0 CBADLP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000638440953 357477612 /nfs/dbraw/zinc/47/76/12/357477612.db2.gz XQFLKKMCFVHEIS-OLZOCXBDSA-N 2 2 296.415 -0.203 20 0 CBADLP C[C@@H]1CC[NH2+][C@H](C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000638444872 357478411 /nfs/dbraw/zinc/47/84/11/357478411.db2.gz BTBYOCNRROANRW-MCIONIFRSA-N 2 2 299.415 -0.474 20 0 CBADLP CC[NH2+][C@H](C)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000638446308 357478461 /nfs/dbraw/zinc/47/84/61/357478461.db2.gz NPGJSQCHPLSDKU-NEPJUHHUSA-N 2 2 273.377 -0.864 20 0 CBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1CCC[NH2+]CC1 ZINC000638444867 357478797 /nfs/dbraw/zinc/47/87/97/357478797.db2.gz BNSMPVIPTVSNDG-UONOGXRCSA-N 2 2 299.415 -0.472 20 0 CBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1[NH2+]CCC1(C)C ZINC000638445308 357479125 /nfs/dbraw/zinc/47/91/25/357479125.db2.gz FLPRNIYZMVEHBJ-QWHCGFSZSA-N 2 2 299.415 -0.474 20 0 CBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CCCC[NH2+]1 ZINC000638446319 357479206 /nfs/dbraw/zinc/47/92/06/357479206.db2.gz OGAJBOOCYQZDHK-STQMWFEESA-N 2 2 285.388 -0.720 20 0 CBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CC1([NH3+])CC1 ZINC000638444850 357479222 /nfs/dbraw/zinc/47/92/22/357479222.db2.gz BJVGKYPAGLFJCS-LLVKDONJSA-N 2 2 271.361 -0.981 20 0 CBADLP C[C@H](C(=O)N[C@@H]1CC[NH2+]C12CCC2)N1CC[NH2+]CC1=O ZINC000638512653 357492081 /nfs/dbraw/zinc/49/20/81/357492081.db2.gz JUTCKWZCMILHCB-GHMZBOCLSA-N 2 2 280.372 -0.793 20 0 CBADLP C[N@@H+]1CCN(Cc2c[nH+]c3n2CCC3)[C@H](CO)C1 ZINC000639334073 357567492 /nfs/dbraw/zinc/56/74/92/357567492.db2.gz PKCWUXOBDSTBEV-LBPRGKRZSA-N 2 2 250.346 -0.062 20 0 CBADLP C[N@H+]1CCN(Cc2c[nH+]c3n2CCC3)[C@H](CO)C1 ZINC000639334073 357567497 /nfs/dbraw/zinc/56/74/97/357567497.db2.gz PKCWUXOBDSTBEV-LBPRGKRZSA-N 2 2 250.346 -0.062 20 0 CBADLP Cn1c[nH+]cc1CCN1CCN(C(=O)C[NH+](C)C)CC1 ZINC000639449738 357572670 /nfs/dbraw/zinc/57/26/70/357572670.db2.gz AFCYUPUOTMEPTE-UHFFFAOYSA-N 2 2 279.388 -0.332 20 0 CBADLP Cn1c[nH+]cc1CC[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000639449738 357572677 /nfs/dbraw/zinc/57/26/77/357572677.db2.gz AFCYUPUOTMEPTE-UHFFFAOYSA-N 3 2 279.388 -0.332 20 0 CBADLP C[NH+](C)CC(=O)N1CC[NH+](C[C@H]2CCc3ncnn32)CC1 ZINC000639450585 357572697 /nfs/dbraw/zinc/57/26/97/357572697.db2.gz SLKYOUQJFXFKNA-GFCCVEGCSA-N 2 2 292.387 -0.529 20 0 CBADLP C[C@@H](C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)N1CC[NH2+]CC1=O ZINC000638639809 357514909 /nfs/dbraw/zinc/51/49/09/357514909.db2.gz NRSUZTLDVLAHMC-VWYCJHECSA-N 2 2 268.361 -0.937 20 0 CBADLP C[C@H](C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)N1CC[NH2+]CC1=O ZINC000638639807 357514982 /nfs/dbraw/zinc/51/49/82/357514982.db2.gz NRSUZTLDVLAHMC-MXWKQRLJSA-N 2 2 268.361 -0.937 20 0 CBADLP C[C@H](C(=O)N(C)CCOCC[NH3+])[NH+]1CCN(C)CC1 ZINC000638674417 357519266 /nfs/dbraw/zinc/51/92/66/357519266.db2.gz JKMUPIRFHLSCMF-GFCCVEGCSA-N 2 2 272.393 -0.944 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCO[C@H](CCF)C1 ZINC000638683156 357521041 /nfs/dbraw/zinc/52/10/41/357521041.db2.gz CSSBDRWIPUORSV-MNOVXSKESA-N 2 2 261.341 -0.148 20 0 CBADLP CC(C)C[C@H]([NH2+]Cc1ncnn1C)C(=O)NCC[NH+](C)C ZINC000638817079 357533228 /nfs/dbraw/zinc/53/32/28/357533228.db2.gz KXXUJVNILMWOHJ-LBPRGKRZSA-N 2 2 296.419 -0.003 20 0 CBADLP CNS(=O)(=O)[C@H]1CCC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000639531152 357576308 /nfs/dbraw/zinc/57/63/08/357576308.db2.gz VJUVAMFSWLMJEE-LBPRGKRZSA-N 2 2 286.401 -0.024 20 0 CBADLP CNS(=O)(=O)[C@H]1CCC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000639531152 357576311 /nfs/dbraw/zinc/57/63/11/357576311.db2.gz VJUVAMFSWLMJEE-LBPRGKRZSA-N 2 2 286.401 -0.024 20 0 CBADLP C[C@H](C(=O)N1C[C@H]([NH3+])C[C@H]1C)[NH+]1CCN(C)CC1 ZINC000638929531 357545011 /nfs/dbraw/zinc/54/50/11/357545011.db2.gz BWYINRWIBRLVAQ-IJLUTSLNSA-N 2 2 254.378 -0.430 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000638932684 357545132 /nfs/dbraw/zinc/54/51/32/357545132.db2.gz UFNWGPHYNPNEOM-MNOVXSKESA-N 2 2 270.377 -0.609 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000638932684 357545137 /nfs/dbraw/zinc/54/51/37/357545137.db2.gz UFNWGPHYNPNEOM-MNOVXSKESA-N 2 2 270.377 -0.609 20 0 CBADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000639529277 357576690 /nfs/dbraw/zinc/57/66/90/357576690.db2.gz LHANQYPUIAZFMR-NSHDSACASA-N 2 2 272.374 -0.285 20 0 CBADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000639529277 357576692 /nfs/dbraw/zinc/57/66/92/357576692.db2.gz LHANQYPUIAZFMR-NSHDSACASA-N 2 2 272.374 -0.285 20 0 CBADLP Cn1nncc1C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638984583 357549109 /nfs/dbraw/zinc/54/91/09/357549109.db2.gz NRNYOGRYKKVLBW-UHFFFAOYSA-N 2 2 287.327 -0.128 20 0 CBADLP O=C([C@H]1CCC[NH2+]1)N1CC[NH+](CCc2cnccn2)CC1 ZINC000639003286 357549835 /nfs/dbraw/zinc/54/98/35/357549835.db2.gz GAWCGBJKTYBPJC-CQSZACIVSA-N 2 2 289.383 -0.085 20 0 CBADLP C[C@H]([NH3+])C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000639002996 357550084 /nfs/dbraw/zinc/55/00/84/357550084.db2.gz CKTIDNUIIRTMBV-NSHDSACASA-N 2 2 263.345 -0.490 20 0 CBADLP [NH3+][C@H]1C[C@@H](C(=O)N2CC[NH+](CCc3cnccn3)CC2)C1 ZINC000639004595 357550854 /nfs/dbraw/zinc/55/08/54/357550854.db2.gz PIIDMAQSWSYXME-BETUJISGSA-N 2 2 289.383 -0.099 20 0 CBADLP [NH3+][C@H]1C[C@H](C(=O)N2CC[NH+](CCc3cnccn3)CC2)C1 ZINC000639004596 357550910 /nfs/dbraw/zinc/55/09/10/357550910.db2.gz PIIDMAQSWSYXME-JOCQHMNTSA-N 2 2 289.383 -0.099 20 0 CBADLP CCC[C@]1(C)C(=O)NCCN1C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000639016860 357552272 /nfs/dbraw/zinc/55/22/72/357552272.db2.gz OOXDXYIKVQHHIJ-BXUZGUMPSA-N 2 2 284.404 -0.217 20 0 CBADLP C[C@H](C(=O)N1CCC[C@H]2C[NH2+]CC[C@@H]21)N1CC[NH2+]CC1=O ZINC000639019130 357552716 /nfs/dbraw/zinc/55/27/16/357552716.db2.gz CNISKGWDAVEOQZ-AGIUHOORSA-N 2 2 294.399 -0.593 20 0 CBADLP C[C@@H]1C[N@H+](C)[C@H](C)CN1Cc1c[nH+]c(N)nc1N ZINC000639057577 357555818 /nfs/dbraw/zinc/55/58/18/357555818.db2.gz BTPPHFYRNHARMB-RKDXNWHRSA-N 2 2 250.350 -0.174 20 0 CBADLP C[C@@H]1C[N@@H+](C)[C@H](C)CN1Cc1c[nH+]c(N)nc1N ZINC000639057577 357555821 /nfs/dbraw/zinc/55/58/21/357555821.db2.gz BTPPHFYRNHARMB-RKDXNWHRSA-N 2 2 250.350 -0.174 20 0 CBADLP C[N@@H+](Cc1cnc(N)nc1N)C[C@H]1CC[NH+](C)C1 ZINC000639082252 357556745 /nfs/dbraw/zinc/55/67/45/357556745.db2.gz YUBZMUBAJKSRNS-VIFPVBQESA-N 2 2 250.350 -0.315 20 0 CBADLP C[N@H+](Cc1cnc(N)nc1N)C[C@H]1CC[NH+](C)C1 ZINC000639082252 357556748 /nfs/dbraw/zinc/55/67/48/357556748.db2.gz YUBZMUBAJKSRNS-VIFPVBQESA-N 2 2 250.350 -0.315 20 0 CBADLP C[NH+](Cc1cnc(N)nc1N)C[C@H]1CC[N@H+](C)C1 ZINC000639082252 357556750 /nfs/dbraw/zinc/55/67/50/357556750.db2.gz YUBZMUBAJKSRNS-VIFPVBQESA-N 2 2 250.350 -0.315 20 0 CBADLP C[NH+](Cc1cnc(N)nc1N)C[C@H]1CC[N@@H+](C)C1 ZINC000639082252 357556752 /nfs/dbraw/zinc/55/67/52/357556752.db2.gz YUBZMUBAJKSRNS-VIFPVBQESA-N 2 2 250.350 -0.315 20 0 CBADLP CN(Cc1c[nH+]c(N)nc1N)C[C@H]1CC[N@H+](C)C1 ZINC000639082252 357556755 /nfs/dbraw/zinc/55/67/55/357556755.db2.gz YUBZMUBAJKSRNS-VIFPVBQESA-N 2 2 250.350 -0.315 20 0 CBADLP CN(Cc1c[nH+]c(N)nc1N)C[C@H]1CC[N@@H+](C)C1 ZINC000639082252 357556756 /nfs/dbraw/zinc/55/67/56/357556756.db2.gz YUBZMUBAJKSRNS-VIFPVBQESA-N 2 2 250.350 -0.315 20 0 CBADLP Cn1c[nH+]cc1CC[N@@H+]1CCSC[C@H]1C(N)=O ZINC000639554194 357577782 /nfs/dbraw/zinc/57/77/82/357577782.db2.gz BPBQGGJIXHLOLV-JTQLQIEISA-N 2 2 254.359 -0.135 20 0 CBADLP Cn1c[nH+]cc1CC[N@H+]1CCSC[C@H]1C(N)=O ZINC000639554194 357577783 /nfs/dbraw/zinc/57/77/83/357577783.db2.gz BPBQGGJIXHLOLV-JTQLQIEISA-N 2 2 254.359 -0.135 20 0 CBADLP OCC[N@H+](Cc1ccccc1)C[C@]1(O)CC[NH+](CCO)C1 ZINC000639961965 357623856 /nfs/dbraw/zinc/62/38/56/357623856.db2.gz FYCKRKPGWUONEN-INIZCTEOSA-N 2 2 294.395 -0.090 20 0 CBADLP OCC[N@@H+](Cc1ccccc1)C[C@]1(O)CC[NH+](CCO)C1 ZINC000639961965 357623861 /nfs/dbraw/zinc/62/38/61/357623861.db2.gz FYCKRKPGWUONEN-INIZCTEOSA-N 2 2 294.395 -0.090 20 0 CBADLP OCC[NH+](Cc1ccccc1)C[C@]1(O)CC[N@H+](CCO)C1 ZINC000639961965 357623866 /nfs/dbraw/zinc/62/38/66/357623866.db2.gz FYCKRKPGWUONEN-INIZCTEOSA-N 2 2 294.395 -0.090 20 0 CBADLP OCC[NH+](Cc1ccccc1)C[C@]1(O)CC[N@@H+](CCO)C1 ZINC000639961965 357623869 /nfs/dbraw/zinc/62/38/69/357623869.db2.gz FYCKRKPGWUONEN-INIZCTEOSA-N 2 2 294.395 -0.090 20 0 CBADLP CC(C)OC[C@@H](O)C[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640050239 357630959 /nfs/dbraw/zinc/63/09/59/357630959.db2.gz ZZRRZAUDCYOZEW-ZDUSSCGKSA-N 2 2 287.404 -0.522 20 0 CBADLP CC(C)OC[C@@H](O)C[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640050239 357630964 /nfs/dbraw/zinc/63/09/64/357630964.db2.gz ZZRRZAUDCYOZEW-ZDUSSCGKSA-N 2 2 287.404 -0.522 20 0 CBADLP CO[C@@H]1C[N@H+](C[C@H](O)C[NH+](C)C2CC2)[C@@](C)(CO)C1 ZINC000640003996 357627938 /nfs/dbraw/zinc/62/79/38/357627938.db2.gz KOVUZALDGREFRI-HZSPNIEDSA-N 2 2 272.389 -0.087 20 0 CBADLP CO[C@@H]1C[N@@H+](C[C@H](O)C[NH+](C)C2CC2)[C@@](C)(CO)C1 ZINC000640003996 357627943 /nfs/dbraw/zinc/62/79/43/357627943.db2.gz KOVUZALDGREFRI-HZSPNIEDSA-N 2 2 272.389 -0.087 20 0 CBADLP CO[C@@H]1C[NH+](C[C@H](O)C[N@H+](C)C2CC2)[C@@](C)(CO)C1 ZINC000640003996 357627945 /nfs/dbraw/zinc/62/79/45/357627945.db2.gz KOVUZALDGREFRI-HZSPNIEDSA-N 2 2 272.389 -0.087 20 0 CBADLP CO[C@@H]1C[NH+](C[C@H](O)C[N@@H+](C)C2CC2)[C@@](C)(CO)C1 ZINC000640003996 357627949 /nfs/dbraw/zinc/62/79/49/357627949.db2.gz KOVUZALDGREFRI-HZSPNIEDSA-N 2 2 272.389 -0.087 20 0 CBADLP C[NH+](C)C[C@@]1(O)CCC[N@H+](CCN2CCOCC2)C1 ZINC000639761040 357595554 /nfs/dbraw/zinc/59/55/54/357595554.db2.gz FELMUERQVGGKFO-AWEZNQCLSA-N 2 2 271.405 -0.293 20 0 CBADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CCN2CCOCC2)C1 ZINC000639761040 357595560 /nfs/dbraw/zinc/59/55/60/357595560.db2.gz FELMUERQVGGKFO-AWEZNQCLSA-N 2 2 271.405 -0.293 20 0 CBADLP C[NH+](C)C[C@@]1(O)CCCN(CC[NH+]2CCOCC2)C1 ZINC000639761040 357595564 /nfs/dbraw/zinc/59/55/64/357595564.db2.gz FELMUERQVGGKFO-AWEZNQCLSA-N 2 2 271.405 -0.293 20 0 CBADLP CN1CC[C@H]([N@@H+]2CCC[C@@](O)(C[NH+](C)C)C2)C1=O ZINC000639761703 357595915 /nfs/dbraw/zinc/59/59/15/357595915.db2.gz IKSUPVOCHARNMP-WCQYABFASA-N 2 2 255.362 -0.394 20 0 CBADLP CN1CC[C@H]([N@H+]2CCC[C@@](O)(C[NH+](C)C)C2)C1=O ZINC000639761703 357595918 /nfs/dbraw/zinc/59/59/18/357595918.db2.gz IKSUPVOCHARNMP-WCQYABFASA-N 2 2 255.362 -0.394 20 0 CBADLP C[NH+](C)C[C@]1(O)CCC[N@H+](CCn2cncn2)C1 ZINC000639766769 357596774 /nfs/dbraw/zinc/59/67/74/357596774.db2.gz OSCDQJIFBRCSDX-GFCCVEGCSA-N 2 2 253.350 -0.333 20 0 CBADLP C[NH+](C)C[C@]1(O)CCC[N@@H+](CCn2cncn2)C1 ZINC000639766769 357596781 /nfs/dbraw/zinc/59/67/81/357596781.db2.gz OSCDQJIFBRCSDX-GFCCVEGCSA-N 2 2 253.350 -0.333 20 0 CBADLP C[N@H+](C[C@@H](O)C[NH+]1[C@@H](CO)CC[C@@H]1CO)C1CC1 ZINC000639783326 357598267 /nfs/dbraw/zinc/59/82/67/357598267.db2.gz OKNNUKUINYOHIJ-JHJVBQTASA-N 2 2 258.362 -0.741 20 0 CBADLP C[N@@H+](C[C@@H](O)C[NH+]1[C@@H](CO)CC[C@@H]1CO)C1CC1 ZINC000639783326 357598269 /nfs/dbraw/zinc/59/82/69/357598269.db2.gz OKNNUKUINYOHIJ-JHJVBQTASA-N 2 2 258.362 -0.741 20 0 CBADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH+]1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 ZINC000639843019 357603300 /nfs/dbraw/zinc/60/33/00/357603300.db2.gz CMBICLQYUZDGPD-AGIUHOORSA-N 2 2 296.415 -0.232 20 0 CBADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH+]1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 ZINC000639843019 357603304 /nfs/dbraw/zinc/60/33/04/357603304.db2.gz CMBICLQYUZDGPD-AGIUHOORSA-N 2 2 296.415 -0.232 20 0 CBADLP C[C@@H]1C[NH+](CCN2CC[N@H+](C)C[C@@H]2CO)C[C@@H](C)O1 ZINC000639866269 357612824 /nfs/dbraw/zinc/61/28/24/357612824.db2.gz DCTDJNXJDZAKRX-MGPQQGTHSA-N 2 2 271.405 -0.296 20 0 CBADLP C[C@@H]1C[NH+](CCN2CC[N@@H+](C)C[C@@H]2CO)C[C@@H](C)O1 ZINC000639866269 357612830 /nfs/dbraw/zinc/61/28/30/357612830.db2.gz DCTDJNXJDZAKRX-MGPQQGTHSA-N 2 2 271.405 -0.296 20 0 CBADLP CC[NH+](CC)Cc1cn(C[C@@H](O)C[NH+]2CCOCC2)nn1 ZINC000641207906 357679134 /nfs/dbraw/zinc/67/91/34/357679134.db2.gz OCEJMLICPVJULH-AWEZNQCLSA-N 2 2 297.403 -0.187 20 0 CBADLP CC[C@](C)(O)C[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640051170 357632366 /nfs/dbraw/zinc/63/23/66/357632366.db2.gz KFTFTVOSCMGQFJ-ZDUSSCGKSA-N 2 2 257.378 -0.147 20 0 CBADLP CC[C@](C)(O)C[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640051170 357632372 /nfs/dbraw/zinc/63/23/72/357632372.db2.gz KFTFTVOSCMGQFJ-ZDUSSCGKSA-N 2 2 257.378 -0.147 20 0 CBADLP C[N@H+](CC[C@H]1CCNC1=O)CC(=O)N1CC[NH+](C)CC1 ZINC000640051558 357633063 /nfs/dbraw/zinc/63/30/63/357633063.db2.gz QORUDRKKWCDYRD-GFCCVEGCSA-N 2 2 282.388 -0.782 20 0 CBADLP C[N@@H+](CC[C@H]1CCNC1=O)CC(=O)N1CC[NH+](C)CC1 ZINC000640051558 357633066 /nfs/dbraw/zinc/63/30/66/357633066.db2.gz QORUDRKKWCDYRD-GFCCVEGCSA-N 2 2 282.388 -0.782 20 0 CBADLP Cn1c[nH+]cc1CC[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640051759 357633115 /nfs/dbraw/zinc/63/31/15/357633115.db2.gz ZAIQTBHKKGKFCY-UHFFFAOYSA-N 3 2 279.388 -0.332 20 0 CBADLP Cn1c[nH+]cc1CC[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640051759 357633117 /nfs/dbraw/zinc/63/31/17/357633117.db2.gz ZAIQTBHKKGKFCY-UHFFFAOYSA-N 3 2 279.388 -0.332 20 0 CBADLP CCC[C@@H](O)C[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640051280 357633126 /nfs/dbraw/zinc/63/31/26/357633126.db2.gz MNYUYDXPFGQMOY-GFCCVEGCSA-N 2 2 257.378 -0.147 20 0 CBADLP CCC[C@@H](O)C[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640051280 357633128 /nfs/dbraw/zinc/63/31/28/357633128.db2.gz MNYUYDXPFGQMOY-GFCCVEGCSA-N 2 2 257.378 -0.147 20 0 CBADLP C[N@H+](CCOC1CCOCC1)CC(=O)N1CC[NH+](C)CC1 ZINC000640065214 357633811 /nfs/dbraw/zinc/63/38/11/357633811.db2.gz XBQWOZQJWIZEGI-UHFFFAOYSA-N 2 2 299.415 -0.112 20 0 CBADLP C[N@@H+](CCOC1CCOCC1)CC(=O)N1CC[NH+](C)CC1 ZINC000640065214 357633818 /nfs/dbraw/zinc/63/38/18/357633818.db2.gz XBQWOZQJWIZEGI-UHFFFAOYSA-N 2 2 299.415 -0.112 20 0 CBADLP CC(C)NC(=O)CC[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640059678 357633983 /nfs/dbraw/zinc/63/39/83/357633983.db2.gz WASVWMUGTJTPCV-UHFFFAOYSA-N 2 2 284.404 -0.393 20 0 CBADLP CC(C)NC(=O)CC[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640059678 357633986 /nfs/dbraw/zinc/63/39/86/357633986.db2.gz WASVWMUGTJTPCV-UHFFFAOYSA-N 2 2 284.404 -0.393 20 0 CBADLP CNC(=O)NC[C@@H]1COCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000640106022 357636624 /nfs/dbraw/zinc/63/66/24/357636624.db2.gz KTUIHRHFHDSPHD-CYBMUJFWSA-N 2 2 295.387 -0.018 20 0 CBADLP CNC(=O)NC[C@@H]1COCC[N@H+]1CCCc1c[nH+]cn1C ZINC000640106022 357636625 /nfs/dbraw/zinc/63/66/25/357636625.db2.gz KTUIHRHFHDSPHD-CYBMUJFWSA-N 2 2 295.387 -0.018 20 0 CBADLP C[N@@H+]1CC[C@H](CNS(=O)(=O)CCn2cc[nH+]c2)C1 ZINC000641528768 357719547 /nfs/dbraw/zinc/71/95/47/357719547.db2.gz PGNIQNWVAGAUSB-LLVKDONJSA-N 2 2 272.374 -0.246 20 0 CBADLP C[N@H+]1CC[C@H](CNS(=O)(=O)CCn2cc[nH+]c2)C1 ZINC000641528768 357719552 /nfs/dbraw/zinc/71/95/52/357719552.db2.gz PGNIQNWVAGAUSB-LLVKDONJSA-N 2 2 272.374 -0.246 20 0 CBADLP CC[N@H+](CCO)CCNS(=O)(=O)CCn1cc[nH+]c1 ZINC000641428707 357704502 /nfs/dbraw/zinc/70/45/02/357704502.db2.gz ORRUHZKAEBWJBY-UHFFFAOYSA-N 2 2 290.389 -0.883 20 0 CBADLP CC[N@@H+](CCO)CCNS(=O)(=O)CCn1cc[nH+]c1 ZINC000641428707 357704506 /nfs/dbraw/zinc/70/45/06/357704506.db2.gz ORRUHZKAEBWJBY-UHFFFAOYSA-N 2 2 290.389 -0.883 20 0 CBADLP OC[C@]1(CNc2cc(-n3cc[nH+]c3)ncn2)COCC[NH2+]1 ZINC000641687888 357737768 /nfs/dbraw/zinc/73/77/68/357737768.db2.gz DNMYKVDSJVBACX-CYBMUJFWSA-N 2 2 290.327 -0.575 20 0 CBADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000641796984 357743272 /nfs/dbraw/zinc/74/32/72/357743272.db2.gz ONZFBYZEYQTTOY-LBPRGKRZSA-N 3 2 279.388 -0.251 20 0 CBADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000641796984 357743276 /nfs/dbraw/zinc/74/32/76/357743276.db2.gz ONZFBYZEYQTTOY-LBPRGKRZSA-N 3 2 279.388 -0.251 20 0 CBADLP O=C(NC[C@H]1CCCC[NH2+]1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000642904235 357766706 /nfs/dbraw/zinc/76/67/06/357766706.db2.gz SQYHGFSIABOONX-GFCCVEGCSA-N 2 2 294.399 -0.449 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)CC1 ZINC000643472830 357784301 /nfs/dbraw/zinc/78/43/01/357784301.db2.gz IBUYFQHFGXVURJ-OLZOCXBDSA-N 2 2 294.399 -0.639 20 0 CBADLP C[C@H]1CN(C(=O)C(=O)N2CC[NH+](C3CC3)CC2)C[C@@H]1[NH3+] ZINC000643483830 357785322 /nfs/dbraw/zinc/78/53/22/357785322.db2.gz LLNRDKFIPFGAEX-JQWIXIFHSA-N 2 2 280.372 -0.901 20 0 CBADLP C[C@H](NC(N)=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369274912 299265863 /nfs/dbraw/zinc/26/58/63/299265863.db2.gz TXHCZAFRRUSMHT-QWRGUYRKSA-N 2 2 297.403 -0.672 20 0 CBADLP C[C@H](NC(N)=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369274912 299265867 /nfs/dbraw/zinc/26/58/67/299265867.db2.gz TXHCZAFRRUSMHT-QWRGUYRKSA-N 2 2 297.403 -0.672 20 0 CBADLP C[C@H](CC(N)=O)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000341891123 216140641 /nfs/dbraw/zinc/14/06/41/216140641.db2.gz GZXGGVWAAQMSNG-NXEZZACHSA-N 2 2 256.350 -0.820 20 0 CBADLP C[C@H](CC(N)=O)[NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000341891123 216140644 /nfs/dbraw/zinc/14/06/44/216140644.db2.gz GZXGGVWAAQMSNG-NXEZZACHSA-N 2 2 256.350 -0.820 20 0 CBADLP C[C@@H]([NH3+])C(=O)N1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000378213222 296014387 /nfs/dbraw/zinc/01/43/87/296014387.db2.gz YQJUNLWOBGJGPL-GHMZBOCLSA-N 2 2 268.361 -0.854 20 0 CBADLP C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181043817 189286613 /nfs/dbraw/zinc/28/66/13/189286613.db2.gz UPAOYBNRTWTVOK-BFHYXJOUSA-N 2 2 297.399 -0.314 20 0 CBADLP COC(=O)CNC(=O)[C@@H](C)[N@H+](C)CCCn1cc[nH+]c1 ZINC000181080875 189288011 /nfs/dbraw/zinc/28/80/11/189288011.db2.gz VEMPNGSRBMEGHH-LLVKDONJSA-N 2 2 282.344 -0.117 20 0 CBADLP COC(=O)CNC(=O)[C@@H](C)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181080875 189288012 /nfs/dbraw/zinc/28/80/12/189288012.db2.gz VEMPNGSRBMEGHH-LLVKDONJSA-N 2 2 282.344 -0.117 20 0 CBADLP C[C@@H](NC(=O)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1)C(=O)N(C)C ZINC000152472613 296046335 /nfs/dbraw/zinc/04/63/35/296046335.db2.gz DTUPINPRIIMSDN-CHWSQXEVSA-N 2 2 298.431 -0.147 20 0 CBADLP C[C@@H](NC(=O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1)C(=O)N(C)C ZINC000152472613 296046336 /nfs/dbraw/zinc/04/63/36/296046336.db2.gz DTUPINPRIIMSDN-CHWSQXEVSA-N 2 2 298.431 -0.147 20 0 CBADLP C[C@@H](NC(=O)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1)C(=O)N(C)C ZINC000152472613 296046338 /nfs/dbraw/zinc/04/63/38/296046338.db2.gz DTUPINPRIIMSDN-CHWSQXEVSA-N 2 2 298.431 -0.147 20 0 CBADLP C[C@@H](NC(=O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1)C(=O)N(C)C ZINC000152472613 296046340 /nfs/dbraw/zinc/04/63/40/296046340.db2.gz DTUPINPRIIMSDN-CHWSQXEVSA-N 2 2 298.431 -0.147 20 0 CBADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC000342519963 216382633 /nfs/dbraw/zinc/38/26/33/216382633.db2.gz ZSIXJDVWWLSYEP-MGPQQGTHSA-N 2 2 282.432 -0.064 20 0 CBADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC000342519963 216382635 /nfs/dbraw/zinc/38/26/35/216382635.db2.gz ZSIXJDVWWLSYEP-MGPQQGTHSA-N 2 2 282.432 -0.064 20 0 CBADLP O=C([C@@H]1COCC[NH2+]1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000372098591 296056602 /nfs/dbraw/zinc/05/66/02/296056602.db2.gz LNDIZBJWFRKIDN-XQQFMLRXSA-N 2 2 283.372 -0.968 20 0 CBADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000342711735 216489676 /nfs/dbraw/zinc/48/96/76/216489676.db2.gz QXKGAIGGRPMQQN-LLVKDONJSA-N 2 2 282.388 -0.606 20 0 CBADLP Cn1cc(C[N@@H+]2CCCC[C@@H]2C[NH3+])c(=O)n(C)c1=O ZINC000347027156 294234226 /nfs/dbraw/zinc/23/42/26/294234226.db2.gz URXYOULYWKDNLO-LLVKDONJSA-N 2 2 266.345 -0.603 20 0 CBADLP Cn1cc(C[N@H+]2CCCC[C@@H]2C[NH3+])c(=O)n(C)c1=O ZINC000347027156 294234233 /nfs/dbraw/zinc/23/42/33/294234233.db2.gz URXYOULYWKDNLO-LLVKDONJSA-N 2 2 266.345 -0.603 20 0 CBADLP O=C([C@H]1CC[NH2+]C1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000165684977 296124582 /nfs/dbraw/zinc/12/45/82/296124582.db2.gz FEJRYQKMNIMSLA-STQMWFEESA-N 2 2 267.373 -0.081 20 0 CBADLP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2nnnn2C)CC1 ZINC000330647184 203075812 /nfs/dbraw/zinc/07/58/12/203075812.db2.gz HFEKPQQKEUGFKO-NSHDSACASA-N 2 2 282.392 -0.265 20 0 CBADLP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2nnnn2C)CC1 ZINC000330647184 203075815 /nfs/dbraw/zinc/07/58/15/203075815.db2.gz HFEKPQQKEUGFKO-NSHDSACASA-N 2 2 282.392 -0.265 20 0 CBADLP Cn1cc[nH+]c1CN1CC[NH+](CCC(=O)NC(N)=O)CC1 ZINC000330665118 203093221 /nfs/dbraw/zinc/09/32/21/203093221.db2.gz VDSIJPYIRPXXDG-UHFFFAOYSA-N 2 2 294.359 -0.463 20 0 CBADLP C[C@@H](O)C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000346579337 296167621 /nfs/dbraw/zinc/16/76/21/296167621.db2.gz TYQAAHHACJAETH-NWDGAFQWSA-N 2 2 269.389 -0.006 20 0 CBADLP C[C@@H](O)C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000346579337 296167622 /nfs/dbraw/zinc/16/76/22/296167622.db2.gz TYQAAHHACJAETH-NWDGAFQWSA-N 2 2 269.389 -0.006 20 0 CBADLP C[C@@H](O)CC[N@H+](C)C[C@H](O)C[NH+](C)CC[C@H](C)O ZINC000245973662 296171999 /nfs/dbraw/zinc/17/19/99/296171999.db2.gz OIYFBXKVYGPGBN-ITGUQSILSA-N 2 2 262.394 -0.247 20 0 CBADLP C[C@@H](O)CC[N@@H+](C)C[C@H](O)C[NH+](C)CC[C@H](C)O ZINC000245973662 296172001 /nfs/dbraw/zinc/17/20/01/296172001.db2.gz OIYFBXKVYGPGBN-ITGUQSILSA-N 2 2 262.394 -0.247 20 0 CBADLP C[C@@H](O)CC[NH+](C)C[C@H](O)C[N@H+](C)CC[C@H](C)O ZINC000245973662 296172002 /nfs/dbraw/zinc/17/20/02/296172002.db2.gz OIYFBXKVYGPGBN-ITGUQSILSA-N 2 2 262.394 -0.247 20 0 CBADLP C[C@@H](O)CC[NH+](C)C[C@H](O)C[N@@H+](C)CC[C@H](C)O ZINC000245973662 296172003 /nfs/dbraw/zinc/17/20/03/296172003.db2.gz OIYFBXKVYGPGBN-ITGUQSILSA-N 2 2 262.394 -0.247 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)C1 ZINC000353317555 220025457 /nfs/dbraw/zinc/02/54/57/220025457.db2.gz WEUAUSBFWJTQLN-UONOGXRCSA-N 2 2 298.431 -0.541 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)C1 ZINC000353317555 220025459 /nfs/dbraw/zinc/02/54/59/220025459.db2.gz WEUAUSBFWJTQLN-UONOGXRCSA-N 2 2 298.431 -0.541 20 0 CBADLP CC[NH+]1CCN(CCCNC(=O)[C@@H]2[NH2+]CCO[C@@H]2C)CC1 ZINC000344310065 217144674 /nfs/dbraw/zinc/14/46/74/217144674.db2.gz HEHQGSBOLUAMPO-ZIAGYGMSSA-N 2 2 298.431 -0.493 20 0 CBADLP CCN1CC[NH+](CCCNC(=O)[C@@H]2[NH2+]CCO[C@@H]2C)CC1 ZINC000344310065 217144676 /nfs/dbraw/zinc/14/46/76/217144676.db2.gz HEHQGSBOLUAMPO-ZIAGYGMSSA-N 2 2 298.431 -0.493 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000574410236 335017594 /nfs/dbraw/zinc/01/75/94/335017594.db2.gz CXGBZHFICZZDGD-WUHRBBMRSA-N 2 2 269.389 -0.115 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000574410236 335017595 /nfs/dbraw/zinc/01/75/95/335017595.db2.gz CXGBZHFICZZDGD-WUHRBBMRSA-N 2 2 269.389 -0.115 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000574410236 335017597 /nfs/dbraw/zinc/01/75/97/335017597.db2.gz CXGBZHFICZZDGD-WUHRBBMRSA-N 2 2 269.389 -0.115 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000574410236 335017599 /nfs/dbraw/zinc/01/75/99/335017599.db2.gz CXGBZHFICZZDGD-WUHRBBMRSA-N 2 2 269.389 -0.115 20 0 CBADLP C[C@@H]1C[N@@H+](CCCNC(=O)[C@@H]2[NH2+]CCO[C@H]2C)C[C@H](C)O1 ZINC000344475139 217204304 /nfs/dbraw/zinc/20/43/04/217204304.db2.gz PWKYFMNUDUNDAR-RFQIPJPRSA-N 2 2 299.415 -0.021 20 0 CBADLP C[C@@H]1C[N@H+](CCCNC(=O)[C@@H]2[NH2+]CCO[C@H]2C)C[C@H](C)O1 ZINC000344475139 217204307 /nfs/dbraw/zinc/20/43/07/217204307.db2.gz PWKYFMNUDUNDAR-RFQIPJPRSA-N 2 2 299.415 -0.021 20 0 CBADLP C[NH+]1CCN(c2ccnc(N3CC[NH+](C)CC3)n2)CC1 ZINC000015576091 372754698 /nfs/dbraw/zinc/75/46/98/372754698.db2.gz QJRIKUAXYAXXJD-UHFFFAOYSA-N 2 2 276.388 -0.020 20 0 CBADLP C[C@H](NC(N)=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000112921626 372790027 /nfs/dbraw/zinc/79/00/27/372790027.db2.gz YADOGVMYEPNVJK-NSHDSACASA-N 2 2 299.419 -0.472 20 0 CBADLP C[C@H](NC(N)=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000112921626 372790035 /nfs/dbraw/zinc/79/00/35/372790035.db2.gz YADOGVMYEPNVJK-NSHDSACASA-N 2 2 299.419 -0.472 20 0 CBADLP CO[C@H](C[NH3+])C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000353422107 220073719 /nfs/dbraw/zinc/07/37/19/220073719.db2.gz AKZARPZSKJFESV-LLVKDONJSA-N 2 2 266.345 -0.148 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000091299746 372772246 /nfs/dbraw/zinc/77/22/46/372772246.db2.gz DPPKEDNKPNHJNA-NWDGAFQWSA-N 2 2 271.361 -0.798 20 0 CBADLP CC[C@H](Cn1cncn1)[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000353427862 220077508 /nfs/dbraw/zinc/07/75/08/220077508.db2.gz PNNKYOAKKWCTHV-CHWSQXEVSA-N 2 2 266.393 -0.108 20 0 CBADLP CC[C@H](Cn1cncn1)[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000353427862 220077512 /nfs/dbraw/zinc/07/75/12/220077512.db2.gz PNNKYOAKKWCTHV-CHWSQXEVSA-N 2 2 266.393 -0.108 20 0 CBADLP C[C@@H]1CC[N@H+](CC(=O)NC(=O)NC2CC2)C[C@@H]1C[NH3+] ZINC000163811411 372824837 /nfs/dbraw/zinc/82/48/37/372824837.db2.gz FPSHIHQHHMKNEY-ZJUUUORDSA-N 2 2 268.361 -0.109 20 0 CBADLP C[C@@H]1CC[N@@H+](CC(=O)NC(=O)NC2CC2)C[C@@H]1C[NH3+] ZINC000163811411 372824850 /nfs/dbraw/zinc/82/48/50/372824850.db2.gz FPSHIHQHHMKNEY-ZJUUUORDSA-N 2 2 268.361 -0.109 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000176570811 372834562 /nfs/dbraw/zinc/83/45/62/372834562.db2.gz KEBPNFJMCRSEBZ-CYBMUJFWSA-N 2 2 287.404 -0.522 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000176570811 372834573 /nfs/dbraw/zinc/83/45/73/372834573.db2.gz KEBPNFJMCRSEBZ-CYBMUJFWSA-N 2 2 287.404 -0.522 20 0 CBADLP CC[C@@]1(CO)CCC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000189688441 372856366 /nfs/dbraw/zinc/85/63/66/372856366.db2.gz IDVGVLGSMCSJBT-AWEZNQCLSA-N 2 2 269.389 -0.003 20 0 CBADLP CC[C@@]1(CO)CCC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000189688441 372856370 /nfs/dbraw/zinc/85/63/70/372856370.db2.gz IDVGVLGSMCSJBT-AWEZNQCLSA-N 2 2 269.389 -0.003 20 0 CBADLP CO[C@H](C[NH3+])C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000353468591 220100613 /nfs/dbraw/zinc/10/06/13/220100613.db2.gz OUXAWPKODDUVEK-SDDRHHMPSA-N 2 2 271.361 -0.861 20 0 CBADLP C[C@@H](CNC[C@H](O)C[NH+]1CCOCC1)[N@H+](C)C1CC1 ZINC000218989481 372870358 /nfs/dbraw/zinc/87/03/58/372870358.db2.gz BAIFPOBWBAWDSM-JSGCOSHPSA-N 2 2 271.405 -0.248 20 0 CBADLP C[C@@H](CNC[C@H](O)C[NH+]1CCOCC1)[N@@H+](C)C1CC1 ZINC000218989481 372870364 /nfs/dbraw/zinc/87/03/64/372870364.db2.gz BAIFPOBWBAWDSM-JSGCOSHPSA-N 2 2 271.405 -0.248 20 0 CBADLP C[C@@H](NC(=O)C[N@H+](C)C[C@H]1CCC[NH+](C)C1)C(=O)N(C)C ZINC000246731636 372885040 /nfs/dbraw/zinc/88/50/40/372885040.db2.gz DTUPINPRIIMSDN-OLZOCXBDSA-N 2 2 298.431 -0.147 20 0 CBADLP C[C@@H](NC(=O)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1)C(=O)N(C)C ZINC000246731636 372885049 /nfs/dbraw/zinc/88/50/49/372885049.db2.gz DTUPINPRIIMSDN-OLZOCXBDSA-N 2 2 298.431 -0.147 20 0 CBADLP C[C@@H](NC(=O)C[NH+](C)C[C@H]1CCC[N@H+](C)C1)C(=O)N(C)C ZINC000246731636 372885054 /nfs/dbraw/zinc/88/50/54/372885054.db2.gz DTUPINPRIIMSDN-OLZOCXBDSA-N 2 2 298.431 -0.147 20 0 CBADLP C[C@@H](NC(=O)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1)C(=O)N(C)C ZINC000246731636 372885060 /nfs/dbraw/zinc/88/50/60/372885060.db2.gz DTUPINPRIIMSDN-OLZOCXBDSA-N 2 2 298.431 -0.147 20 0 CBADLP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+]([C@H](C)C(N)=O)CC2)C1 ZINC000247232711 372887528 /nfs/dbraw/zinc/88/75/28/372887528.db2.gz RJRJBTGEUJLJFB-ZIAGYGMSSA-N 2 2 298.431 -0.413 20 0 CBADLP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+]([C@H](C)C(N)=O)CC2)C1 ZINC000247232711 372887538 /nfs/dbraw/zinc/88/75/38/372887538.db2.gz RJRJBTGEUJLJFB-ZIAGYGMSSA-N 2 2 298.431 -0.413 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](C)CCN2C)C1 ZINC000353497202 220118200 /nfs/dbraw/zinc/11/82/00/220118200.db2.gz CDCFJLKODLHSQH-CHWSQXEVSA-N 2 2 284.404 -0.931 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](C)CCN2C)C1 ZINC000353497202 220118203 /nfs/dbraw/zinc/11/82/03/220118203.db2.gz CDCFJLKODLHSQH-CHWSQXEVSA-N 2 2 284.404 -0.931 20 0 CBADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@H+](C)CCN2C)C1 ZINC000353497202 220118205 /nfs/dbraw/zinc/11/82/05/220118205.db2.gz CDCFJLKODLHSQH-CHWSQXEVSA-N 2 2 284.404 -0.931 20 0 CBADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)C1 ZINC000353497202 220118208 /nfs/dbraw/zinc/11/82/08/220118208.db2.gz CDCFJLKODLHSQH-CHWSQXEVSA-N 2 2 284.404 -0.931 20 0 CBADLP CO[C@@H](C[NH3+])C(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000353486058 220110604 /nfs/dbraw/zinc/11/06/04/220110604.db2.gz WNZXYCALUPBHNM-LBPRGKRZSA-N 2 2 273.377 -0.471 20 0 CBADLP CC(C)(CNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[NH+]1CCOCC1 ZINC000333364047 205255604 /nfs/dbraw/zinc/25/56/04/205255604.db2.gz LOSKPTDWPPUWQA-GDNZZTSVSA-N 2 2 282.388 -0.386 20 0 CBADLP CC[N@H+](CCO)CCNC(=O)NCc1c[nH+]cn1C ZINC000292352208 372960625 /nfs/dbraw/zinc/96/06/25/372960625.db2.gz OHAAPKSSONPVOP-UHFFFAOYSA-N 2 2 269.349 -0.467 20 0 CBADLP CC[N@@H+](CCO)CCNC(=O)NCc1c[nH+]cn1C ZINC000292352208 372960630 /nfs/dbraw/zinc/96/06/30/372960630.db2.gz OHAAPKSSONPVOP-UHFFFAOYSA-N 2 2 269.349 -0.467 20 0 CBADLP CO[C@H](C[NH3+])C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000353513058 220127877 /nfs/dbraw/zinc/12/78/77/220127877.db2.gz KMLIZDKYHHMUED-SNVBAGLBSA-N 2 2 267.333 -0.972 20 0 CBADLP O[C@H](C[NH2+]CCN1CCC(O)CC1)C[NH+]1CCCC1 ZINC000321414579 372969350 /nfs/dbraw/zinc/96/93/50/372969350.db2.gz USZSBGNFANGLKV-CQSZACIVSA-N 2 2 271.405 -0.511 20 0 CBADLP C[C@H](NC(=O)N[C@@H]1CC[NH2+]C1)[C@H](C)[NH+]1CCOCC1 ZINC000333403284 205292594 /nfs/dbraw/zinc/29/25/94/205292594.db2.gz QGAKKAJPQSTOMJ-SDDRHHMPSA-N 2 2 270.377 -0.243 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N2CCn3c[nH+]cc3C2)C1 ZINC000329621847 372979890 /nfs/dbraw/zinc/97/98/90/372979890.db2.gz RREBUBAFAUIVNY-LLVKDONJSA-N 2 2 250.302 -0.444 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N2CCn3c[nH+]cc3C2)C1 ZINC000329621847 372979898 /nfs/dbraw/zinc/97/98/98/372979898.db2.gz RREBUBAFAUIVNY-LLVKDONJSA-N 2 2 250.302 -0.444 20 0 CBADLP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH+]1CCNC(=O)C1 ZINC000344748871 217297607 /nfs/dbraw/zinc/29/76/07/217297607.db2.gz VWEDAPMDAOTQSQ-ZDUSSCGKSA-N 2 2 296.415 -0.201 20 0 CBADLP CC[N@H+]1CCCC[C@H]1C(=O)NCCC[NH+]1CCNC(=O)C1 ZINC000344748871 217297610 /nfs/dbraw/zinc/29/76/10/217297610.db2.gz VWEDAPMDAOTQSQ-ZDUSSCGKSA-N 2 2 296.415 -0.201 20 0 CBADLP CC[NH+]1CCCC[C@H]1C(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000344748871 217297612 /nfs/dbraw/zinc/29/76/12/217297612.db2.gz VWEDAPMDAOTQSQ-ZDUSSCGKSA-N 2 2 296.415 -0.201 20 0 CBADLP CC[NH+]1CCCC[C@H]1C(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000344748871 217297615 /nfs/dbraw/zinc/29/76/15/217297615.db2.gz VWEDAPMDAOTQSQ-ZDUSSCGKSA-N 2 2 296.415 -0.201 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@@H]1CCCN1S(C)(=O)=O ZINC000338215429 373028872 /nfs/dbraw/zinc/02/88/72/373028872.db2.gz ONSPKQQUHHRREM-GRYCIOLGSA-N 2 2 275.418 -0.050 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@@H]1CCCN1S(C)(=O)=O ZINC000338215429 373028883 /nfs/dbraw/zinc/02/88/83/373028883.db2.gz ONSPKQQUHHRREM-GRYCIOLGSA-N 2 2 275.418 -0.050 20 0 CBADLP COCC[N@H+](C)CCNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338187120 373029176 /nfs/dbraw/zinc/02/91/76/373029176.db2.gz OQFHLUWVURWSLZ-UHFFFAOYSA-N 2 2 287.404 -0.208 20 0 CBADLP COCC[N@@H+](C)CCNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338187120 373029196 /nfs/dbraw/zinc/02/91/96/373029196.db2.gz OQFHLUWVURWSLZ-UHFFFAOYSA-N 2 2 287.404 -0.208 20 0 CBADLP CN(C(=O)NC[C@@H]1C[N@H+](C)CCO1)C1CC([NH3+])C1 ZINC000333472227 205348746 /nfs/dbraw/zinc/34/87/46/205348746.db2.gz AMGCQLAJFXJDBA-VQXHTEKXSA-N 2 2 256.350 -0.552 20 0 CBADLP CN(C(=O)NC[C@@H]1C[N@@H+](C)CCO1)C1CC([NH3+])C1 ZINC000333472227 205348750 /nfs/dbraw/zinc/34/87/50/205348750.db2.gz AMGCQLAJFXJDBA-VQXHTEKXSA-N 2 2 256.350 -0.552 20 0 CBADLP C[C@H](O)C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000346579338 373068613 /nfs/dbraw/zinc/06/86/13/373068613.db2.gz TYQAAHHACJAETH-RYUDHWBXSA-N 2 2 269.389 -0.006 20 0 CBADLP C[C@H](O)C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000346579338 373068619 /nfs/dbraw/zinc/06/86/19/373068619.db2.gz TYQAAHHACJAETH-RYUDHWBXSA-N 2 2 269.389 -0.006 20 0 CBADLP CN(C)C(=O)NCC[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351574560 373098258 /nfs/dbraw/zinc/09/82/58/373098258.db2.gz PGDZSLOEZOPKIX-GFCCVEGCSA-N 2 2 272.393 -0.356 20 0 CBADLP CN(C)C(=O)NCC[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351574560 373098262 /nfs/dbraw/zinc/09/82/62/373098262.db2.gz PGDZSLOEZOPKIX-GFCCVEGCSA-N 2 2 272.393 -0.356 20 0 CBADLP CN(C)C(=O)NCC[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351574560 373098263 /nfs/dbraw/zinc/09/82/63/373098263.db2.gz PGDZSLOEZOPKIX-GFCCVEGCSA-N 2 2 272.393 -0.356 20 0 CBADLP CN(C)C(=O)NCC[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351574560 373098268 /nfs/dbraw/zinc/09/82/68/373098268.db2.gz PGDZSLOEZOPKIX-GFCCVEGCSA-N 2 2 272.393 -0.356 20 0 CBADLP C[N@H+](C[C@@H](O)C[NH+]1[C@@H](CO)CC[C@H]1CO)C1CC1 ZINC000351982655 373100441 /nfs/dbraw/zinc/10/04/41/373100441.db2.gz OKNNUKUINYOHIJ-FRRDWIJNSA-N 2 2 258.362 -0.741 20 0 CBADLP C[N@@H+](C[C@@H](O)C[NH+]1[C@@H](CO)CC[C@H]1CO)C1CC1 ZINC000351982655 373100447 /nfs/dbraw/zinc/10/04/47/373100447.db2.gz OKNNUKUINYOHIJ-FRRDWIJNSA-N 2 2 258.362 -0.741 20 0 CBADLP C[NH+](C[C@@H](O)C[N@@H+]1[C@@H](CO)CC[C@H]1CO)C1CC1 ZINC000351982655 373100452 /nfs/dbraw/zinc/10/04/52/373100452.db2.gz OKNNUKUINYOHIJ-FRRDWIJNSA-N 2 2 258.362 -0.741 20 0 CBADLP C[NH+](C[C@@H](O)C[N@H+]1[C@@H](CO)CC[C@H]1CO)C1CC1 ZINC000351982655 373100457 /nfs/dbraw/zinc/10/04/57/373100457.db2.gz OKNNUKUINYOHIJ-FRRDWIJNSA-N 2 2 258.362 -0.741 20 0 CBADLP C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC000356901588 373166021 /nfs/dbraw/zinc/16/60/21/373166021.db2.gz MWRFSOKXLPLJRO-IJLUTSLNSA-N 2 2 255.362 -0.132 20 0 CBADLP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC000356901588 373166032 /nfs/dbraw/zinc/16/60/32/373166032.db2.gz MWRFSOKXLPLJRO-IJLUTSLNSA-N 2 2 255.362 -0.132 20 0 CBADLP C[C@@H]1[C@@H](C)[NH+](C)CCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000356901588 373166041 /nfs/dbraw/zinc/16/60/41/373166041.db2.gz MWRFSOKXLPLJRO-IJLUTSLNSA-N 2 2 255.362 -0.132 20 0 CBADLP C[C@@H]1[C@@H](C)[NH+](C)CCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000356901588 373166048 /nfs/dbraw/zinc/16/60/48/373166048.db2.gz MWRFSOKXLPLJRO-IJLUTSLNSA-N 2 2 255.362 -0.132 20 0 CBADLP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000355298977 373121912 /nfs/dbraw/zinc/12/19/12/373121912.db2.gz NTNKVCHSCCGBIL-GFCCVEGCSA-N 2 2 296.415 -0.251 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CCC[NH+]1C ZINC000355694967 373147961 /nfs/dbraw/zinc/14/79/61/373147961.db2.gz HCFWHZIFWWQITG-NWDGAFQWSA-N 2 2 255.362 -0.083 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@H]1CCC[NH+]1C ZINC000355694967 373147971 /nfs/dbraw/zinc/14/79/71/373147971.db2.gz HCFWHZIFWWQITG-NWDGAFQWSA-N 2 2 255.362 -0.083 20 0 CBADLP C[C@H]1COCC[NH+]1CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC000355694967 373147979 /nfs/dbraw/zinc/14/79/79/373147979.db2.gz HCFWHZIFWWQITG-NWDGAFQWSA-N 2 2 255.362 -0.083 20 0 CBADLP C[C@H]1COCC[NH+]1CCNC(=O)[C@H]1CCC[N@H+]1C ZINC000355694967 373147987 /nfs/dbraw/zinc/14/79/87/373147987.db2.gz HCFWHZIFWWQITG-NWDGAFQWSA-N 2 2 255.362 -0.083 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CCC[NH+]1C ZINC000355694968 373148130 /nfs/dbraw/zinc/14/81/30/373148130.db2.gz HCFWHZIFWWQITG-RYUDHWBXSA-N 2 2 255.362 -0.083 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CCC[NH+]1C ZINC000355694968 373148134 /nfs/dbraw/zinc/14/81/34/373148134.db2.gz HCFWHZIFWWQITG-RYUDHWBXSA-N 2 2 255.362 -0.083 20 0 CBADLP C[C@H]1COCC[NH+]1CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000355694968 373148140 /nfs/dbraw/zinc/14/81/40/373148140.db2.gz HCFWHZIFWWQITG-RYUDHWBXSA-N 2 2 255.362 -0.083 20 0 CBADLP C[C@H]1COCC[NH+]1CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC000355694968 373148152 /nfs/dbraw/zinc/14/81/52/373148152.db2.gz HCFWHZIFWWQITG-RYUDHWBXSA-N 2 2 255.362 -0.083 20 0 CBADLP CC(C)NC(=O)C[N@@H+]1CCCN(C(=O)CCC[NH3+])CC1 ZINC000361718634 373330232 /nfs/dbraw/zinc/33/02/32/373330232.db2.gz PAJOYYKBNAIAQD-UHFFFAOYSA-N 2 2 284.404 -0.216 20 0 CBADLP CC(C)NC(=O)C[N@H+]1CCCN(C(=O)CCC[NH3+])CC1 ZINC000361718634 373330237 /nfs/dbraw/zinc/33/02/37/373330237.db2.gz PAJOYYKBNAIAQD-UHFFFAOYSA-N 2 2 284.404 -0.216 20 0 CBADLP C[N@H+](C1CC[NH+](CCO)CC1)[C@H]1CCCNC1=O ZINC000362500080 373418922 /nfs/dbraw/zinc/41/89/22/373418922.db2.gz RDDGDCGBPYVQAC-LBPRGKRZSA-N 2 2 255.362 -0.347 20 0 CBADLP C[N@@H+](C1CC[NH+](CCO)CC1)[C@H]1CCCNC1=O ZINC000362500080 373418931 /nfs/dbraw/zinc/41/89/31/373418931.db2.gz RDDGDCGBPYVQAC-LBPRGKRZSA-N 2 2 255.362 -0.347 20 0 CBADLP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000362539756 373421778 /nfs/dbraw/zinc/42/17/78/373421778.db2.gz HVZXTROQWCXWPO-RYUDHWBXSA-N 2 2 255.362 -0.679 20 0 CBADLP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000362539756 373421785 /nfs/dbraw/zinc/42/17/85/373421785.db2.gz HVZXTROQWCXWPO-RYUDHWBXSA-N 2 2 255.362 -0.679 20 0 CBADLP CC(C)(C)NC(=O)NC(=O)C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000050247497 220194484 /nfs/dbraw/zinc/19/44/84/220194484.db2.gz PYEAZFRZEGJNAS-VIFPVBQESA-N 2 2 256.350 -0.109 20 0 CBADLP CC(C)(C)NC(=O)NC(=O)C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000050247497 220194488 /nfs/dbraw/zinc/19/44/88/220194488.db2.gz PYEAZFRZEGJNAS-VIFPVBQESA-N 2 2 256.350 -0.109 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C)[NH+]1CCN(C)CC1 ZINC000362763873 373445064 /nfs/dbraw/zinc/44/50/64/373445064.db2.gz WZWRGWHMEUCJQX-HZSPNIEDSA-N 2 2 282.432 -0.064 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C)[NH+]1CCN(C)CC1 ZINC000362763873 373445073 /nfs/dbraw/zinc/44/50/73/373445073.db2.gz WZWRGWHMEUCJQX-HZSPNIEDSA-N 2 2 282.432 -0.064 20 0 CBADLP Cn1cc(CC[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cn1 ZINC000362829775 373451745 /nfs/dbraw/zinc/45/17/45/373451745.db2.gz HTSDJBDJWCSWFX-AWEZNQCLSA-N 2 2 291.399 -0.141 20 0 CBADLP Cn1cc(CC[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cn1 ZINC000362829775 373451751 /nfs/dbraw/zinc/45/17/51/373451751.db2.gz HTSDJBDJWCSWFX-AWEZNQCLSA-N 2 2 291.399 -0.141 20 0 CBADLP CN(C(=O)C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)C1CC1 ZINC000362824680 373452263 /nfs/dbraw/zinc/45/22/63/373452263.db2.gz AYIVIGHIKRSUKK-CYBMUJFWSA-N 2 2 294.399 -0.497 20 0 CBADLP CN(C(=O)C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)C1CC1 ZINC000362824680 373452266 /nfs/dbraw/zinc/45/22/66/373452266.db2.gz AYIVIGHIKRSUKK-CYBMUJFWSA-N 2 2 294.399 -0.497 20 0 CBADLP CCCCNC(=O)C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362826162 373453368 /nfs/dbraw/zinc/45/33/68/373453368.db2.gz MBFHWGVHUNOZEK-CYBMUJFWSA-N 2 2 296.415 -0.201 20 0 CBADLP CCCCNC(=O)C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362826162 373453373 /nfs/dbraw/zinc/45/33/73/373453373.db2.gz MBFHWGVHUNOZEK-CYBMUJFWSA-N 2 2 296.415 -0.201 20 0 CBADLP CC(C)CNC(=O)C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362827088 373453865 /nfs/dbraw/zinc/45/38/65/373453865.db2.gz RRJRXDZEXRNZLD-CYBMUJFWSA-N 2 2 296.415 -0.345 20 0 CBADLP CC(C)CNC(=O)C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362827088 373453874 /nfs/dbraw/zinc/45/38/74/373453874.db2.gz RRJRXDZEXRNZLD-CYBMUJFWSA-N 2 2 296.415 -0.345 20 0 CBADLP CC[N@@H+]1CCO[C@H](CN2CC[NH+](C[C@@H](C)O)CC2)C1 ZINC000363496724 373494693 /nfs/dbraw/zinc/49/46/93/373494693.db2.gz RXYRULFNXSMNET-KGLIPLIRSA-N 2 2 271.405 -0.295 20 0 CBADLP CC[N@H+]1CCO[C@H](CN2CC[NH+](C[C@@H](C)O)CC2)C1 ZINC000363496724 373494702 /nfs/dbraw/zinc/49/47/02/373494702.db2.gz RXYRULFNXSMNET-KGLIPLIRSA-N 2 2 271.405 -0.295 20 0 CBADLP C[N@H+](CC(=O)NC(N)=O)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367620304 373537325 /nfs/dbraw/zinc/53/73/25/373537325.db2.gz YIRWYGRKTZGJQF-LBPRGKRZSA-N 2 2 297.403 -0.718 20 0 CBADLP C[N@@H+](CC(=O)NC(N)=O)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367620304 373537340 /nfs/dbraw/zinc/53/73/40/373537340.db2.gz YIRWYGRKTZGJQF-LBPRGKRZSA-N 2 2 297.403 -0.718 20 0 CBADLP CN(CC(=O)NC(N)=O)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000367620304 373537347 /nfs/dbraw/zinc/53/73/47/373537347.db2.gz YIRWYGRKTZGJQF-LBPRGKRZSA-N 2 2 297.403 -0.718 20 0 CBADLP CN(CC(=O)NC(N)=O)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000367620304 373537353 /nfs/dbraw/zinc/53/73/53/373537353.db2.gz YIRWYGRKTZGJQF-LBPRGKRZSA-N 2 2 297.403 -0.718 20 0 CBADLP CNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC000369057889 373545114 /nfs/dbraw/zinc/54/51/14/373545114.db2.gz MYZISDJOYRNSBZ-CQSZACIVSA-N 2 2 298.431 -0.147 20 0 CBADLP CNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC000369057889 373545123 /nfs/dbraw/zinc/54/51/23/373545123.db2.gz MYZISDJOYRNSBZ-CQSZACIVSA-N 2 2 298.431 -0.147 20 0 CBADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](C)CC2)C1 ZINC000370484882 373550721 /nfs/dbraw/zinc/55/07/21/373550721.db2.gz OQZPAEBQZJAYEC-LBPRGKRZSA-N 2 2 255.362 -0.130 20 0 CBADLP CC(C)[N@H+]1CCO[C@H](C(=O)N2CC[NH+](C)CC2)C1 ZINC000370484882 373550724 /nfs/dbraw/zinc/55/07/24/373550724.db2.gz OQZPAEBQZJAYEC-LBPRGKRZSA-N 2 2 255.362 -0.130 20 0 CBADLP CC[C@H]([NH3+])CNC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000418214135 373631353 /nfs/dbraw/zinc/63/13/53/373631353.db2.gz MXFLAFALVMBPKL-JQWIXIFHSA-N 2 2 270.377 -0.114 20 0 CBADLP CC[C@H]([NH3+])CNC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000418214135 373631360 /nfs/dbraw/zinc/63/13/60/373631360.db2.gz MXFLAFALVMBPKL-JQWIXIFHSA-N 2 2 270.377 -0.114 20 0 CBADLP C[C@H]([NH3+])[C@H](C)NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000418688397 373633748 /nfs/dbraw/zinc/63/37/48/373633748.db2.gz AZFSYEJPHYQYDK-FIQHERPVSA-N 2 2 270.377 -0.116 20 0 CBADLP C[C@H]([NH3+])[C@H](C)NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000418688397 373633757 /nfs/dbraw/zinc/63/37/57/373633757.db2.gz AZFSYEJPHYQYDK-FIQHERPVSA-N 2 2 270.377 -0.116 20 0 CBADLP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000423352225 373656120 /nfs/dbraw/zinc/65/61/20/373656120.db2.gz AAFKDACDPFNTBV-CHWSQXEVSA-N 2 2 296.415 -0.395 20 0 CBADLP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000423352225 373656128 /nfs/dbraw/zinc/65/61/28/373656128.db2.gz AAFKDACDPFNTBV-CHWSQXEVSA-N 2 2 296.415 -0.395 20 0 CBADLP COC(=O)[C@H]1CN(C(=O)/C=C/c2[nH]cc[nH+]2)CC[N@H+](C)C1 ZINC000493469519 373715710 /nfs/dbraw/zinc/71/57/10/373715710.db2.gz SYSJQUOSUISQFF-PGLGOXFNSA-N 2 2 292.339 -0.014 20 0 CBADLP COC(=O)[C@H]1CN(C(=O)/C=C/c2[nH]cc[nH+]2)CC[N@@H+](C)C1 ZINC000493469519 373715717 /nfs/dbraw/zinc/71/57/17/373715717.db2.gz SYSJQUOSUISQFF-PGLGOXFNSA-N 2 2 292.339 -0.014 20 0 CBADLP C[C@H](C(=O)N(C)[C@@H](C[NH3+])C1CC1)[NH+]1CCOCC1 ZINC000423965723 373662689 /nfs/dbraw/zinc/66/26/89/373662689.db2.gz YJKNTOFEFKWFMF-PWSUYJOCSA-N 2 2 255.362 -0.097 20 0 CBADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)C1 ZINC000430573702 373673492 /nfs/dbraw/zinc/67/34/92/373673492.db2.gz MOYGWDOPTHIEPY-SDDRHHMPSA-N 2 2 284.404 -0.362 20 0 CBADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)C1 ZINC000430573702 373673496 /nfs/dbraw/zinc/67/34/96/373673496.db2.gz MOYGWDOPTHIEPY-SDDRHHMPSA-N 2 2 284.404 -0.362 20 0 CBADLP C[C@H]([NH3+])C[NH+]1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000442661226 373680390 /nfs/dbraw/zinc/68/03/90/373680390.db2.gz FLTNHXXDRPVOKY-QPUJVOFHSA-N 2 2 254.334 -0.356 20 0 CBADLP COCC[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@H]1CCO[C@@H]1C ZINC000489467486 373701607 /nfs/dbraw/zinc/70/16/07/373701607.db2.gz USVPHENEHQCIMZ-KGLIPLIRSA-N 2 2 299.415 -0.114 20 0 CBADLP COCC[N@@H+](CC(=O)N1CC[NH+](C)CC1)[C@H]1CCO[C@@H]1C ZINC000489467486 373701619 /nfs/dbraw/zinc/70/16/19/373701619.db2.gz USVPHENEHQCIMZ-KGLIPLIRSA-N 2 2 299.415 -0.114 20 0 CBADLP COC(=O)c1coc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1 ZINC000514872876 373770280 /nfs/dbraw/zinc/77/02/80/373770280.db2.gz IQGBSRRBYIZBAX-CMPLNLGQSA-N 2 2 293.323 -0.190 20 0 CBADLP COC(=O)c1coc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1 ZINC000514872876 373770288 /nfs/dbraw/zinc/77/02/88/373770288.db2.gz IQGBSRRBYIZBAX-CMPLNLGQSA-N 2 2 293.323 -0.190 20 0 CBADLP Cc1nc(C)n(C[C@@H]2C[N@H+](CCC[NH3+])CCO2)n1 ZINC000514941284 373773061 /nfs/dbraw/zinc/77/30/61/373773061.db2.gz BNWDPUXAVCCPJI-LBPRGKRZSA-N 2 2 253.350 -0.055 20 0 CBADLP Cc1nc(C)n(C[C@@H]2C[N@@H+](CCC[NH3+])CCO2)n1 ZINC000514941284 373773065 /nfs/dbraw/zinc/77/30/65/373773065.db2.gz BNWDPUXAVCCPJI-LBPRGKRZSA-N 2 2 253.350 -0.055 20 0 CBADLP C[NH+](C)CC(=O)N1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)CC1 ZINC000493653124 373724334 /nfs/dbraw/zinc/72/43/34/373724334.db2.gz YBWJRIWYINCKED-ONEGZZNKSA-N 2 2 291.355 -0.345 20 0 CBADLP CCn1cc[nH+]c1/C=C\C(=O)NCCN1CC[NH2+]CC1 ZINC000493822785 373731007 /nfs/dbraw/zinc/73/10/07/373731007.db2.gz NCKTUSGIYKPAES-ARJAWSKDSA-N 2 2 277.372 -0.062 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@H](C)[C@@H](C)[NH3+])CC1 ZINC000493897163 373734651 /nfs/dbraw/zinc/73/46/51/373734651.db2.gz LZRCJVIRBFZQLW-GHMZBOCLSA-N 2 2 270.377 -0.750 20 0 CBADLP C[N@H+](C[C@H](O)C[NH+]1CCC(N2CCNC2=O)CC1)C1CC1 ZINC000514588010 373755448 /nfs/dbraw/zinc/75/54/48/373755448.db2.gz POOQTVFLXDBQTM-AWEZNQCLSA-N 2 2 296.415 -0.069 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH+]1CCC(N2CCNC2=O)CC1)C1CC1 ZINC000514588010 373755452 /nfs/dbraw/zinc/75/54/52/373755452.db2.gz POOQTVFLXDBQTM-AWEZNQCLSA-N 2 2 296.415 -0.069 20 0 CBADLP C[N@@H+]1CCN(C(=O)COc2ccc(O)cc2)[C@H](C[NH3+])C1 ZINC000514857196 373767206 /nfs/dbraw/zinc/76/72/06/373767206.db2.gz DCNKMFPZNAZFTF-LLVKDONJSA-N 2 2 279.340 -0.128 20 0 CBADLP C[N@H+]1CCN(C(=O)COc2ccc(O)cc2)[C@H](C[NH3+])C1 ZINC000514857196 373767210 /nfs/dbraw/zinc/76/72/10/373767210.db2.gz DCNKMFPZNAZFTF-LLVKDONJSA-N 2 2 279.340 -0.128 20 0 CBADLP C[N@@H+]1CCN(C(=O)CCOC2CCOCC2)[C@H](C[NH3+])C1 ZINC000515646247 373793078 /nfs/dbraw/zinc/79/30/78/373793078.db2.gz SNSNUPLCJIWUKN-GFCCVEGCSA-N 2 2 285.388 -0.327 20 0 CBADLP C[N@H+]1CCN(C(=O)CCOC2CCOCC2)[C@H](C[NH3+])C1 ZINC000515646247 373793089 /nfs/dbraw/zinc/79/30/89/373793089.db2.gz SNSNUPLCJIWUKN-GFCCVEGCSA-N 2 2 285.388 -0.327 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CC(C)(C(N)=O)C2)CC1 ZINC000515837777 373795563 /nfs/dbraw/zinc/79/55/63/373795563.db2.gz CANKXRILPZXRIX-LLVKDONJSA-N 2 2 282.388 -0.654 20 0 CBADLP C[C@H](O)C[N@@H+]1CCN(C(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC000527003522 373899337 /nfs/dbraw/zinc/89/93/37/373899337.db2.gz DFSGLDKDHMYGEG-NEPJUHHUSA-N 2 2 280.372 -0.124 20 0 CBADLP C[C@H](O)C[N@H+]1CCN(C(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC000527003522 373899343 /nfs/dbraw/zinc/89/93/43/373899343.db2.gz DFSGLDKDHMYGEG-NEPJUHHUSA-N 2 2 280.372 -0.124 20 0 CBADLP Cn1cc[nH+]c1[C@H]1CN(C(=O)[C@@H]2C[C@@H]2[NH3+])CCN1C ZINC000521609916 373847087 /nfs/dbraw/zinc/84/70/87/373847087.db2.gz KUFRWPMNCIIWIR-OUAUKWLOSA-N 2 2 263.345 -0.418 20 0 CBADLP Cn1cc[nH+]c1[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2[NH3+])CCN1C ZINC000521609917 373847323 /nfs/dbraw/zinc/84/73/23/373847323.db2.gz KUFRWPMNCIIWIR-VWYCJHECSA-N 2 2 263.345 -0.418 20 0 CBADLP CN(C)c1ccc(CNC(=O)NC[C@@H]2COCC[NH2+]2)c[nH+]1 ZINC000529294660 373997453 /nfs/dbraw/zinc/99/74/53/373997453.db2.gz XSEUAPYYGWICOO-GFCCVEGCSA-N 2 2 293.371 -0.065 20 0 CBADLP CCn1nncc1CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000529346574 374008697 /nfs/dbraw/zinc/00/86/97/374008697.db2.gz YWGWXYQJPVYOFI-SNVBAGLBSA-N 2 2 281.364 -0.918 20 0 CBADLP CCn1nncc1CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000529346574 374008699 /nfs/dbraw/zinc/00/86/99/374008699.db2.gz YWGWXYQJPVYOFI-SNVBAGLBSA-N 2 2 281.364 -0.918 20 0 CBADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CC[NH2+]C23CCC3)[C@H](C[NH3+])C1 ZINC000529347346 374008961 /nfs/dbraw/zinc/00/89/61/374008961.db2.gz CKYROCGWOICMMI-VXGBXAGGSA-N 3 2 281.404 -0.445 20 0 CBADLP C[N@H+]1CCN(C(=O)N[C@@H]2CC[NH2+]C23CCC3)[C@H](C[NH3+])C1 ZINC000529347346 374008968 /nfs/dbraw/zinc/00/89/68/374008968.db2.gz CKYROCGWOICMMI-VXGBXAGGSA-N 3 2 281.404 -0.445 20 0 CBADLP CCOC[C@@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)CCO1 ZINC000528725266 373978095 /nfs/dbraw/zinc/97/80/95/373978095.db2.gz OXPKADFOWOLQSG-AWEZNQCLSA-N 2 2 299.415 -0.112 20 0 CBADLP CCOC[C@@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)CCO1 ZINC000528725266 373978101 /nfs/dbraw/zinc/97/81/01/373978101.db2.gz OXPKADFOWOLQSG-AWEZNQCLSA-N 2 2 299.415 -0.112 20 0 CBADLP O=C(N1CC[NH2+]CC1)N1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000530220684 374066544 /nfs/dbraw/zinc/06/65/44/374066544.db2.gz BYWMOTPHHXXMAE-CQSZACIVSA-N 3 2 295.431 -0.371 20 0 CBADLP O=C(N1CC[NH2+]CC1)N1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000530220671 374067401 /nfs/dbraw/zinc/06/74/01/374067401.db2.gz BYWMOTPHHXXMAE-AWEZNQCLSA-N 3 2 295.431 -0.371 20 0 CBADLP COC[C@@](C)(O)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000531258052 374123923 /nfs/dbraw/zinc/12/39/23/374123923.db2.gz BUAZHIOVZQSBHO-CQSZACIVSA-N 2 2 287.404 -0.474 20 0 CBADLP C[NH+](C)C1CC[NH+](CCNC(=O)C2(C(N)=O)CCC2)CC1 ZINC000530654766 374094370 /nfs/dbraw/zinc/09/43/70/374094370.db2.gz XVFCXZVUTCVVIL-UHFFFAOYSA-N 2 2 296.415 -0.216 20 0 CBADLP CC(C)(C(=O)N1CC[NH+](CCO)CC1)c1c[nH+]c[nH]1 ZINC000548410642 374198359 /nfs/dbraw/zinc/19/83/59/374198359.db2.gz BEOBNLHCWANYLS-UHFFFAOYSA-N 2 2 266.345 -0.176 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC000551945757 374252406 /nfs/dbraw/zinc/25/24/06/374252406.db2.gz XFPRKKNPSOIEIF-LBPRGKRZSA-N 2 2 255.362 -0.271 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000551945757 374252412 /nfs/dbraw/zinc/25/24/12/374252412.db2.gz XFPRKKNPSOIEIF-LBPRGKRZSA-N 2 2 255.362 -0.271 20 0 CBADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000550259901 374234188 /nfs/dbraw/zinc/23/41/88/374234188.db2.gz YFTHLCNLOLEVFK-NSHDSACASA-N 2 2 291.355 -0.832 20 0 CBADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000550259901 374234190 /nfs/dbraw/zinc/23/41/90/374234190.db2.gz YFTHLCNLOLEVFK-NSHDSACASA-N 2 2 291.355 -0.832 20 0 CBADLP C[N@@H+]1CC[C@@H](C(=O)NCC2([NH+]3CCOCC3)CC2)C1 ZINC000551867781 374246417 /nfs/dbraw/zinc/24/64/17/374246417.db2.gz XMAJFUFXQZITSD-GFCCVEGCSA-N 2 2 267.373 -0.081 20 0 CBADLP C[N@H+]1CC[C@@H](C(=O)NCC2([NH+]3CCOCC3)CC2)C1 ZINC000551867781 374246425 /nfs/dbraw/zinc/24/64/25/374246425.db2.gz XMAJFUFXQZITSD-GFCCVEGCSA-N 2 2 267.373 -0.081 20 0 CBADLP C[NH+]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1(C)C ZINC000555545142 374292322 /nfs/dbraw/zinc/29/23/22/374292322.db2.gz VYLJAXSRMLJKCF-LLVKDONJSA-N 2 2 255.362 -0.130 20 0 CBADLP C[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1(C)C ZINC000555545142 374292332 /nfs/dbraw/zinc/29/23/32/374292332.db2.gz VYLJAXSRMLJKCF-LLVKDONJSA-N 2 2 255.362 -0.130 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)N2CC[N@H+](C)C(C)(C)C2)C1 ZINC000555545142 374292341 /nfs/dbraw/zinc/29/23/41/374292341.db2.gz VYLJAXSRMLJKCF-LLVKDONJSA-N 2 2 255.362 -0.130 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)N2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000555545142 374292349 /nfs/dbraw/zinc/29/23/49/374292349.db2.gz VYLJAXSRMLJKCF-LLVKDONJSA-N 2 2 255.362 -0.130 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1[C@@H]2CC[C@H]1CN(C)C(=O)C2 ZINC000563723665 374325351 /nfs/dbraw/zinc/32/53/51/374325351.db2.gz IFRGETDLSJMHHS-HZSPNIEDSA-N 2 2 299.415 -0.379 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1[C@@H]2CC[C@H]1CN(C)C(=O)C2 ZINC000563723665 374325354 /nfs/dbraw/zinc/32/53/54/374325354.db2.gz IFRGETDLSJMHHS-HZSPNIEDSA-N 2 2 299.415 -0.379 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1CN(C)C(=O)C2 ZINC000563723665 374325358 /nfs/dbraw/zinc/32/53/58/374325358.db2.gz IFRGETDLSJMHHS-HZSPNIEDSA-N 2 2 299.415 -0.379 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1CN(C)C(=O)C2 ZINC000563723665 374325364 /nfs/dbraw/zinc/32/53/64/374325364.db2.gz IFRGETDLSJMHHS-HZSPNIEDSA-N 2 2 299.415 -0.379 20 0 CBADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)Cn1cccn1 ZINC000566620287 374331240 /nfs/dbraw/zinc/33/12/40/374331240.db2.gz WHVNDFZUVFJKRJ-KGLIPLIRSA-N 2 2 282.388 -0.320 20 0 CBADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)Cn1cccn1 ZINC000566620287 374331242 /nfs/dbraw/zinc/33/12/42/374331242.db2.gz WHVNDFZUVFJKRJ-KGLIPLIRSA-N 2 2 282.388 -0.320 20 0 CBADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CC[NH2+][C@H]2C)CC1 ZINC000566739054 374332608 /nfs/dbraw/zinc/33/26/08/374332608.db2.gz KPFPCWPVMVGGOD-STQMWFEESA-N 2 2 296.415 -0.345 20 0 CBADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CC[NH2+][C@H]2C)CC1 ZINC000566739054 374332616 /nfs/dbraw/zinc/33/26/16/374332616.db2.gz KPFPCWPVMVGGOD-STQMWFEESA-N 2 2 296.415 -0.345 20 0 CBADLP C[N@H+](CC[NH3+])CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000583266221 374359281 /nfs/dbraw/zinc/35/92/81/374359281.db2.gz DXJYGYOFVPUTJT-UHFFFAOYSA-N 2 2 292.387 -0.594 20 0 CBADLP C[N@@H+](CC[NH3+])CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000583266221 374359288 /nfs/dbraw/zinc/35/92/88/374359288.db2.gz DXJYGYOFVPUTJT-UHFFFAOYSA-N 2 2 292.387 -0.594 20 0 CBADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])[C@@H](C[NH3+])C1 ZINC000583311917 374361706 /nfs/dbraw/zinc/36/17/06/374361706.db2.gz HPZSDJCLNMAQGJ-RWMBFGLXSA-N 3 2 283.420 -0.212 20 0 CBADLP C[N@H+]1CCN(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])[C@@H](C[NH3+])C1 ZINC000583311917 374361714 /nfs/dbraw/zinc/36/17/14/374361714.db2.gz HPZSDJCLNMAQGJ-RWMBFGLXSA-N 3 2 283.420 -0.212 20 0 CBADLP CNC(=O)NC(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000583322598 374361977 /nfs/dbraw/zinc/36/19/77/374361977.db2.gz POHMXZHZZFRHKY-LBPRGKRZSA-N 2 2 254.334 -0.483 20 0 CBADLP CNC(=O)NC(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000583322598 374361984 /nfs/dbraw/zinc/36/19/84/374361984.db2.gz POHMXZHZZFRHKY-LBPRGKRZSA-N 2 2 254.334 -0.483 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@]2(C)CCC[NH2+]2)CC1 ZINC000583755304 374365699 /nfs/dbraw/zinc/36/56/99/374365699.db2.gz LPGVHFALNHDQRY-AWEZNQCLSA-N 2 2 282.388 -0.591 20 0 CBADLP CC(C)CCNC(=O)[C@H](C)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000584422453 374372270 /nfs/dbraw/zinc/37/22/70/374372270.db2.gz XPFULNGGOCRSFU-XQQFMLRXSA-N 2 2 296.415 -0.219 20 0 CBADLP CC(C)CCNC(=O)[C@H](C)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000584422453 374372281 /nfs/dbraw/zinc/37/22/81/374372281.db2.gz XPFULNGGOCRSFU-XQQFMLRXSA-N 2 2 296.415 -0.219 20 0 CBADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[NH+](CCO)CC1 ZINC000584478248 374375343 /nfs/dbraw/zinc/37/53/43/374375343.db2.gz MFBLTKXBUWDKFJ-NSHDSACASA-N 2 2 266.345 -0.275 20 0 CBADLP CNC(=O)C[C@]1(O)CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000643817310 374441574 /nfs/dbraw/zinc/44/15/74/374441574.db2.gz SBUTUNCPUNDIJZ-CYBMUJFWSA-N 2 2 266.345 -0.154 20 0 CBADLP CNC(=O)C[C@]1(O)CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000643817310 374441578 /nfs/dbraw/zinc/44/15/78/374441578.db2.gz SBUTUNCPUNDIJZ-CYBMUJFWSA-N 2 2 266.345 -0.154 20 0 CBADLP COC[C@]1(C(N)=O)CCC[N@@H+]1CCc1c[nH+]cn1C ZINC000643823080 374444331 /nfs/dbraw/zinc/44/43/31/374444331.db2.gz JIWZXWINDLYZTO-ZDUSSCGKSA-N 2 2 266.345 -0.071 20 0 CBADLP COC[C@]1(C(N)=O)CCC[N@H+]1CCc1c[nH+]cn1C ZINC000643823080 374444340 /nfs/dbraw/zinc/44/43/40/374444340.db2.gz JIWZXWINDLYZTO-ZDUSSCGKSA-N 2 2 266.345 -0.071 20 0 CBADLP CCOCC[C@H](O)C[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000644559319 374594792 /nfs/dbraw/zinc/59/47/92/374594792.db2.gz GLVILDOIZABCTB-OLZOCXBDSA-N 2 2 259.394 -0.391 20 0 CBADLP CCOCC[C@H](O)C[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000644559319 374594799 /nfs/dbraw/zinc/59/47/99/374594799.db2.gz GLVILDOIZABCTB-OLZOCXBDSA-N 2 2 259.394 -0.391 20 0 CBADLP C[C@H](C[NH2+]C[C@H](O)C[N@H+](C)C1CC1)CN1CC[NH+](C)CC1 ZINC000644562664 374594808 /nfs/dbraw/zinc/59/48/08/374594808.db2.gz CQGOOFIASMIXEX-ZBFHGGJFSA-N 3 2 298.475 -0.085 20 0 CBADLP C[C@H](C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1)CN1CC[NH+](C)CC1 ZINC000644562664 374594813 /nfs/dbraw/zinc/59/48/13/374594813.db2.gz CQGOOFIASMIXEX-ZBFHGGJFSA-N 3 2 298.475 -0.085 20 0 CBADLP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@H]2CCN(CC3CC3)C2)CC1 ZINC000644556620 374594871 /nfs/dbraw/zinc/59/48/71/374594871.db2.gz HQDWBSKLKPKULI-HOTGVXAUSA-N 2 2 296.459 -0.331 20 0 CBADLP CC[NH+](CC)[C@H](C)CNC[C@H](O)C[NH+]1CCOCC1 ZINC000644563283 374595535 /nfs/dbraw/zinc/59/55/35/374595535.db2.gz AZMMYPZJQHZJHZ-KGLIPLIRSA-N 2 2 273.421 -0.001 20 0 CBADLP CC(=O)N1CC[C@H]([NH2+]C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000644595191 374598520 /nfs/dbraw/zinc/59/85/20/374598520.db2.gz BTAUWMSJTBKBEM-UXOAXIEHSA-N 2 2 299.415 -0.333 20 0 CBADLP C[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)[C@H]1CN(C)CCO1 ZINC000644602936 374600784 /nfs/dbraw/zinc/60/07/84/374600784.db2.gz VORCDGDEMMNRDJ-FPMFFAJLSA-N 2 2 271.405 -0.250 20 0 CBADLP C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)[C@H]1CN(C)CCO1 ZINC000644602936 374600794 /nfs/dbraw/zinc/60/07/94/374600794.db2.gz VORCDGDEMMNRDJ-FPMFFAJLSA-N 2 2 271.405 -0.250 20 0 CBADLP C[C@H](NC[C@H](O)C[N@H+](C)C1CC1)[C@H]1C[NH+](C)CCO1 ZINC000644602936 374600802 /nfs/dbraw/zinc/60/08/02/374600802.db2.gz VORCDGDEMMNRDJ-FPMFFAJLSA-N 2 2 271.405 -0.250 20 0 CBADLP C[C@H](NC[C@H](O)C[N@@H+](C)C1CC1)[C@H]1C[NH+](C)CCO1 ZINC000644602936 374600809 /nfs/dbraw/zinc/60/08/09/374600809.db2.gz VORCDGDEMMNRDJ-FPMFFAJLSA-N 2 2 271.405 -0.250 20 0 CBADLP C[C@H](NC[C@H](O)C[NH+](C)C1CC1)[C@H]1C[N@H+](C)CCO1 ZINC000644602936 374600814 /nfs/dbraw/zinc/60/08/14/374600814.db2.gz VORCDGDEMMNRDJ-FPMFFAJLSA-N 2 2 271.405 -0.250 20 0 CBADLP C[C@H](NC[C@H](O)C[NH+](C)C1CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000644602936 374600822 /nfs/dbraw/zinc/60/08/22/374600822.db2.gz VORCDGDEMMNRDJ-FPMFFAJLSA-N 2 2 271.405 -0.250 20 0 CBADLP C[C@@H](O)C[NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000644618754 374602320 /nfs/dbraw/zinc/60/23/20/374602320.db2.gz HHOVSMMMFHVPHZ-GHMZBOCLSA-N 2 2 266.345 -0.119 20 0 CBADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CCCn2ccnn2)C[C@H](C)O1 ZINC000644620230 374603172 /nfs/dbraw/zinc/60/31/72/374603172.db2.gz AOSOBWOAJNYFPN-HZSPNIEDSA-N 2 2 297.403 -0.272 20 0 CBADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CCCn2ccnn2)C[C@H](C)O1 ZINC000644620230 374603179 /nfs/dbraw/zinc/60/31/79/374603179.db2.gz AOSOBWOAJNYFPN-HZSPNIEDSA-N 2 2 297.403 -0.272 20 0 CBADLP COC[C@](C)(CO)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000644902104 374631930 /nfs/dbraw/zinc/63/19/30/374631930.db2.gz HYGIDFLEUZWKCY-LBPRGKRZSA-N 2 2 256.350 -0.027 20 0 CBADLP CN1C[C@H]2[C@@H](CC[N@@H+]2CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000644728640 374614706 /nfs/dbraw/zinc/61/47/06/374614706.db2.gz IVAGRZXTJRKHEI-KBPBESRZSA-N 2 2 280.416 -0.214 20 0 CBADLP CN1C[C@H]2[C@@H](CC[N@H+]2CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000644728640 374614715 /nfs/dbraw/zinc/61/47/15/374614715.db2.gz IVAGRZXTJRKHEI-KBPBESRZSA-N 2 2 280.416 -0.214 20 0 CBADLP C[N@H+]1C[C@H]2[C@@H](CCN2CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000644728640 374614723 /nfs/dbraw/zinc/61/47/23/374614723.db2.gz IVAGRZXTJRKHEI-KBPBESRZSA-N 2 2 280.416 -0.214 20 0 CBADLP C[N@@H+]1C[C@H]2[C@@H](CCN2CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000644728640 374614732 /nfs/dbraw/zinc/61/47/32/374614732.db2.gz IVAGRZXTJRKHEI-KBPBESRZSA-N 2 2 280.416 -0.214 20 0 CBADLP [NH3+]CCCn1cc(C(=O)NCCNc2cccc[nH+]2)nn1 ZINC000645331195 374661845 /nfs/dbraw/zinc/66/18/45/374661845.db2.gz BDMCLTCOMXRXSC-UHFFFAOYSA-N 2 2 289.343 -0.136 20 0 CBADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@@H]2[NH2+]CC2(C)C)CC1 ZINC000646125160 374744309 /nfs/dbraw/zinc/74/43/09/374744309.db2.gz GCZIDHYAYJTJPV-JTQLQIEISA-N 2 2 282.388 -0.608 20 0 CBADLP C[C@@H]([NH2+]C1CC1)C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000646125193 374744718 /nfs/dbraw/zinc/74/47/18/374744718.db2.gz GYSXSYALSIQIKY-SNVBAGLBSA-N 2 2 282.388 -0.465 20 0 CBADLP CC(C)([NH3+])CC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000646125548 374744853 /nfs/dbraw/zinc/74/48/53/374744853.db2.gz OCDPWRFBJUVCBT-UHFFFAOYSA-N 2 2 270.377 -0.478 20 0 CBADLP COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H](C)[NH+]1CC(C)C1 ZINC000574528179 335027242 /nfs/dbraw/zinc/02/72/42/335027242.db2.gz DJRPIBVLZNPYOY-PWSUYJOCSA-N 2 2 294.355 -0.050 20 0 CBADLP COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H](C)[NH+]1CC(C)C1 ZINC000574528179 335027243 /nfs/dbraw/zinc/02/72/43/335027243.db2.gz DJRPIBVLZNPYOY-PWSUYJOCSA-N 2 2 294.355 -0.050 20 0 CBADLP COCC[NH2+]CC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000645978113 374720455 /nfs/dbraw/zinc/72/04/55/374720455.db2.gz SEPFVSBMSBJIKZ-CYBMUJFWSA-N 3 2 298.431 -0.493 20 0 CBADLP COCC[NH2+]CC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000645978113 374720460 /nfs/dbraw/zinc/72/04/60/374720460.db2.gz SEPFVSBMSBJIKZ-CYBMUJFWSA-N 3 2 298.431 -0.493 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCO[C@]3(CCSC3)C2)CC1 ZINC000645966537 374720807 /nfs/dbraw/zinc/72/08/07/374720807.db2.gz QZJGYXULVQFMHZ-CQSZACIVSA-N 2 2 299.440 -0.032 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CCO[C@]3(CCSC3)C2)CC1 ZINC000645966537 374720811 /nfs/dbraw/zinc/72/08/11/374720811.db2.gz QZJGYXULVQFMHZ-CQSZACIVSA-N 2 2 299.440 -0.032 20 0 CBADLP C[C@@H](CNC(=O)CC(C)(C)[NH3+])[NH+]1CCN(C)CC1 ZINC000646026962 374731527 /nfs/dbraw/zinc/73/15/27/374731527.db2.gz HYUSWLRJZZFQGZ-NSHDSACASA-N 2 2 256.394 -0.134 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000646118526 374742308 /nfs/dbraw/zinc/74/23/08/374742308.db2.gz FIWFQBAABHVFDK-AWEZNQCLSA-N 2 2 291.399 -0.141 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000646118526 374742313 /nfs/dbraw/zinc/74/23/13/374742313.db2.gz FIWFQBAABHVFDK-AWEZNQCLSA-N 2 2 291.399 -0.141 20 0 CBADLP C[N@@H+]1CCCC[C@H]1C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000646802782 374817600 /nfs/dbraw/zinc/81/76/00/374817600.db2.gz GNWSFXQDTFVUHM-JTQLQIEISA-N 2 2 293.375 -0.363 20 0 CBADLP C[N@H+]1CCCC[C@H]1C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000646802782 374817606 /nfs/dbraw/zinc/81/76/06/374817606.db2.gz GNWSFXQDTFVUHM-JTQLQIEISA-N 2 2 293.375 -0.363 20 0 CBADLP Cn1nccc1CC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000646835396 374821633 /nfs/dbraw/zinc/82/16/33/374821633.db2.gz WRUSZBKVLZLPSP-LLVKDONJSA-N 2 2 251.334 -0.936 20 0 CBADLP Cn1nccc1CC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000646835396 374821640 /nfs/dbraw/zinc/82/16/40/374821640.db2.gz WRUSZBKVLZLPSP-LLVKDONJSA-N 2 2 251.334 -0.936 20 0 CBADLP CCC(=O)N[C@H](C)C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000646836300 374823934 /nfs/dbraw/zinc/82/39/34/374823934.db2.gz LUZOHHGRFMTUOX-NXEZZACHSA-N 2 2 256.350 -0.998 20 0 CBADLP CCC(=O)N[C@H](C)C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000646836300 374823940 /nfs/dbraw/zinc/82/39/40/374823940.db2.gz LUZOHHGRFMTUOX-NXEZZACHSA-N 2 2 256.350 -0.998 20 0 CBADLP CC(C)CN1C[C@H](C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])CC1=O ZINC000646836359 374824592 /nfs/dbraw/zinc/82/45/92/374824592.db2.gz VIGDLTIIPKKIFG-OLZOCXBDSA-N 2 2 296.415 -0.408 20 0 CBADLP CC(C)CN1C[C@H](C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])CC1=O ZINC000646836359 374824595 /nfs/dbraw/zinc/82/45/95/374824595.db2.gz VIGDLTIIPKKIFG-OLZOCXBDSA-N 2 2 296.415 -0.408 20 0 CBADLP [NH3+]CCOCC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000646264977 374764445 /nfs/dbraw/zinc/76/44/45/374764445.db2.gz HEGPWLKWLPMGSW-NSHDSACASA-N 2 2 264.329 -0.248 20 0 CBADLP [NH3+]CCOCC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000646264976 374765126 /nfs/dbraw/zinc/76/51/26/374765126.db2.gz HEGPWLKWLPMGSW-LLVKDONJSA-N 2 2 264.329 -0.248 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000646340093 374771374 /nfs/dbraw/zinc/77/13/74/374771374.db2.gz BEPYQNKQEYKKCG-OLZOCXBDSA-N 2 2 296.415 -0.347 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000646340093 374771376 /nfs/dbraw/zinc/77/13/76/374771376.db2.gz BEPYQNKQEYKKCG-OLZOCXBDSA-N 2 2 296.415 -0.347 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000646340089 374771395 /nfs/dbraw/zinc/77/13/95/374771395.db2.gz BEPYQNKQEYKKCG-CHWSQXEVSA-N 2 2 296.415 -0.347 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000646340089 374771398 /nfs/dbraw/zinc/77/13/98/374771398.db2.gz BEPYQNKQEYKKCG-CHWSQXEVSA-N 2 2 296.415 -0.347 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000647058699 374877880 /nfs/dbraw/zinc/87/78/80/374877880.db2.gz ZKGIPBWXPBSNRL-QWRGUYRKSA-N 2 2 288.367 -0.741 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000647058699 374877887 /nfs/dbraw/zinc/87/78/87/374877887.db2.gz ZKGIPBWXPBSNRL-QWRGUYRKSA-N 2 2 288.367 -0.741 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NC[C@H]([NH3+])C1CC1 ZINC000646902415 374835600 /nfs/dbraw/zinc/83/56/00/374835600.db2.gz DJDSNTUCRZIEPJ-NSHDSACASA-N 2 2 270.377 -0.704 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NC[C@H]([NH3+])C1CC1 ZINC000646902415 374835604 /nfs/dbraw/zinc/83/56/04/374835604.db2.gz DJDSNTUCRZIEPJ-NSHDSACASA-N 2 2 270.377 -0.704 20 0 CBADLP CNS(=O)(=O)[C@H]1CCC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000574637586 335035939 /nfs/dbraw/zinc/03/59/39/335035939.db2.gz FFWORWLQNZBDTL-RYUDHWBXSA-N 2 2 275.418 0.000 20 0 CBADLP CNS(=O)(=O)[C@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000574637586 335035941 /nfs/dbraw/zinc/03/59/41/335035941.db2.gz FFWORWLQNZBDTL-RYUDHWBXSA-N 2 2 275.418 0.000 20 0 CBADLP CNS(=O)(=O)[C@H]1CCC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000574637583 335035985 /nfs/dbraw/zinc/03/59/85/335035985.db2.gz FFWORWLQNZBDTL-NEPJUHHUSA-N 2 2 275.418 0.000 20 0 CBADLP CNS(=O)(=O)[C@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000574637583 335035986 /nfs/dbraw/zinc/03/59/86/335035986.db2.gz FFWORWLQNZBDTL-NEPJUHHUSA-N 2 2 275.418 0.000 20 0 CBADLP C[NH+]1CCN(C(=O)C2(n3cccn3)CC[NH2+]CC2)CC1 ZINC000262133071 190048926 /nfs/dbraw/zinc/04/89/26/190048926.db2.gz GPLKMFZMEFHQPL-UHFFFAOYSA-N 2 2 277.372 -0.264 20 0 CBADLP COCC[NH+]1CCN(C(=O)NCc2[nH+]ccn2C)CC1 ZINC000264159720 190093495 /nfs/dbraw/zinc/09/34/95/190093495.db2.gz KRNAPVKLLJKSQF-UHFFFAOYSA-N 2 2 281.360 -0.106 20 0 CBADLP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N(C)Cc1[nH+]ccn1C ZINC000355328372 248177645 /nfs/dbraw/zinc/17/76/45/248177645.db2.gz ZDKNLXWVFOYLMZ-LLVKDONJSA-N 2 2 295.387 -0.165 20 0 CBADLP CCS(=O)(=O)NCC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357081326 248319081 /nfs/dbraw/zinc/31/90/81/248319081.db2.gz NSXDKJDOAYPQBM-QWRGUYRKSA-N 2 2 261.391 -0.533 20 0 CBADLP CCS(=O)(=O)NCC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357081326 248319087 /nfs/dbraw/zinc/31/90/87/248319087.db2.gz NSXDKJDOAYPQBM-QWRGUYRKSA-N 2 2 261.391 -0.533 20 0 CBADLP COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357086964 248320270 /nfs/dbraw/zinc/32/02/70/248320270.db2.gz RXMFUKKMSGNMQN-SDDRHHMPSA-N 2 2 298.387 -0.612 20 0 CBADLP COC[C@H](C)NC(=O)NC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357086964 248320274 /nfs/dbraw/zinc/32/02/74/248320274.db2.gz RXMFUKKMSGNMQN-SDDRHHMPSA-N 2 2 298.387 -0.612 20 0 CBADLP C[NH2+]CCC(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000357234514 248337908 /nfs/dbraw/zinc/33/79/08/248337908.db2.gz ATBXWGRIJJNFBB-ZDUSSCGKSA-N 2 2 296.415 -0.249 20 0 CBADLP COc1ccccc1[C@H]([NH3+])C(=O)N1CC[NH+](CCO)CC1 ZINC000357231340 248338384 /nfs/dbraw/zinc/33/83/84/248338384.db2.gz ZGCKGEBVLMQYLP-AWEZNQCLSA-N 2 2 293.367 -0.169 20 0 CBADLP CC[C@@H]1C[N@H+](CCNC(=O)[C@H]2C[NH+](CC)CCO2)CCO1 ZINC000357366782 248354884 /nfs/dbraw/zinc/35/48/84/248354884.db2.gz CINZCAKAOCVFJE-ZIAGYGMSSA-N 2 2 299.415 -0.066 20 0 CBADLP CC[C@@H]1C[N@@H+](CCNC(=O)[C@H]2C[NH+](CC)CCO2)CCO1 ZINC000357366782 248354889 /nfs/dbraw/zinc/35/48/89/248354889.db2.gz CINZCAKAOCVFJE-ZIAGYGMSSA-N 2 2 299.415 -0.066 20 0 CBADLP CC[C@@H]1C[NH+](CCNC(=O)[C@H]2C[N@H+](CC)CCO2)CCO1 ZINC000357366782 248354895 /nfs/dbraw/zinc/35/48/95/248354895.db2.gz CINZCAKAOCVFJE-ZIAGYGMSSA-N 2 2 299.415 -0.066 20 0 CBADLP CC[C@@H]1C[NH+](CCNC(=O)[C@H]2C[N@@H+](CC)CCO2)CCO1 ZINC000357366782 248354899 /nfs/dbraw/zinc/35/48/99/248354899.db2.gz CINZCAKAOCVFJE-ZIAGYGMSSA-N 2 2 299.415 -0.066 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)N(C)[C@H](C)C[NH+]2CCOCC2)C1 ZINC000357510170 248373494 /nfs/dbraw/zinc/37/34/94/248373494.db2.gz CHDWBYDRUJWPBT-ZIAGYGMSSA-N 2 2 299.415 -0.114 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)N(C)[C@H](C)C[NH+]2CCOCC2)C1 ZINC000357510170 248373497 /nfs/dbraw/zinc/37/34/97/248373497.db2.gz CHDWBYDRUJWPBT-ZIAGYGMSSA-N 2 2 299.415 -0.114 20 0 CBADLP C[C@H]1C[N@H+](C)[C@@H](C)CN1CC(=O)N1CC[NH+](C)CC1 ZINC000357617338 248380243 /nfs/dbraw/zinc/38/02/43/248380243.db2.gz OGQJIKYTCOWUPR-STQMWFEESA-N 2 2 268.405 -0.215 20 0 CBADLP C[C@H]1C[N@@H+](C)[C@@H](C)CN1CC(=O)N1CC[NH+](C)CC1 ZINC000357617338 248380248 /nfs/dbraw/zinc/38/02/48/248380248.db2.gz OGQJIKYTCOWUPR-STQMWFEESA-N 2 2 268.405 -0.215 20 0 CBADLP C[C@@H]1CN(CC(=O)N2CC[NH+](C)CC2)[C@@H](C)C[N@@H+]1C ZINC000357617334 248382263 /nfs/dbraw/zinc/38/22/63/248382263.db2.gz OGQJIKYTCOWUPR-OLZOCXBDSA-N 2 2 268.405 -0.215 20 0 CBADLP C[C@@H]1CN(CC(=O)N2CC[NH+](C)CC2)[C@@H](C)C[N@H+]1C ZINC000357617334 248382269 /nfs/dbraw/zinc/38/22/69/248382269.db2.gz OGQJIKYTCOWUPR-OLZOCXBDSA-N 2 2 268.405 -0.215 20 0 CBADLP CCNC(=O)CC[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357643722 248388067 /nfs/dbraw/zinc/38/80/67/248388067.db2.gz AZBSGKLFYQKNMX-UHFFFAOYSA-N 2 2 257.378 -0.099 20 0 CBADLP CCNC(=O)CC[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357643722 248388072 /nfs/dbraw/zinc/38/80/72/248388072.db2.gz AZBSGKLFYQKNMX-UHFFFAOYSA-N 2 2 257.378 -0.099 20 0 CBADLP CCCNC(=O)C[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357649274 248388693 /nfs/dbraw/zinc/38/86/93/248388693.db2.gz OXEOIUHTLOUXIQ-UHFFFAOYSA-N 2 2 257.378 -0.099 20 0 CBADLP CCCNC(=O)C[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357649274 248388697 /nfs/dbraw/zinc/38/86/97/248388697.db2.gz OXEOIUHTLOUXIQ-UHFFFAOYSA-N 2 2 257.378 -0.099 20 0 CBADLP C[NH+](C)CCN1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000264942746 190146533 /nfs/dbraw/zinc/14/65/33/190146533.db2.gz RIWPZDDMOGEKSO-UHFFFAOYSA-N 2 2 279.388 -0.021 20 0 CBADLP COCC[N@@H+]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC000652926104 412875736 /nfs/dbraw/zinc/87/57/36/412875736.db2.gz LCBYQMGUFVJLEL-ZDUSSCGKSA-N 2 2 299.415 -0.114 20 0 CBADLP COCC[N@H+]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC000652926104 412875738 /nfs/dbraw/zinc/87/57/38/412875738.db2.gz LCBYQMGUFVJLEL-ZDUSSCGKSA-N 2 2 299.415 -0.114 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C(C)(C)C1 ZINC000652926104 412875740 /nfs/dbraw/zinc/87/57/40/412875740.db2.gz LCBYQMGUFVJLEL-ZDUSSCGKSA-N 2 2 299.415 -0.114 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C(C)(C)C1 ZINC000652926104 412875741 /nfs/dbraw/zinc/87/57/41/412875741.db2.gz LCBYQMGUFVJLEL-ZDUSSCGKSA-N 2 2 299.415 -0.114 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000653129906 412885162 /nfs/dbraw/zinc/88/51/62/412885162.db2.gz NONWCSYXQILUDZ-CYDGBPFRSA-N 3 2 268.405 -0.149 20 0 CBADLP CCC[C@@H]1C[NH2+]CCN1C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653129002 412885289 /nfs/dbraw/zinc/88/52/89/412885289.db2.gz JFUMYPXVIYVCOQ-VXGBXAGGSA-N 3 2 256.394 -0.134 20 0 CBADLP COCCNC(=O)CN1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000346843675 218033725 /nfs/dbraw/zinc/03/37/25/218033725.db2.gz JGKCDXRFTMCYEC-AWEZNQCLSA-N 2 2 298.431 -0.634 20 0 CBADLP CC(C)([NH3+])C[N@@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000346827594 218026327 /nfs/dbraw/zinc/02/63/27/218026327.db2.gz SVTNYEAKGMYTFN-JTQLQIEISA-N 2 2 263.407 -0.015 20 0 CBADLP CC(C)([NH3+])C[N@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000346827594 218026328 /nfs/dbraw/zinc/02/63/28/218026328.db2.gz SVTNYEAKGMYTFN-JTQLQIEISA-N 2 2 263.407 -0.015 20 0 CBADLP CN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@@H]1C[NH+]2CCC1CC2 ZINC000346958898 218069374 /nfs/dbraw/zinc/06/93/74/218069374.db2.gz DDMOPBRRSOCDMW-CHWSQXEVSA-N 2 2 267.373 -0.130 20 0 CBADLP CN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@@H]1C[NH+]2CCC1CC2 ZINC000346958898 218069375 /nfs/dbraw/zinc/06/93/75/218069375.db2.gz DDMOPBRRSOCDMW-CHWSQXEVSA-N 2 2 267.373 -0.130 20 0 CBADLP CC(=O)NC[C@H]1C[N@H+](C[C@@H]2CCC[NH2+]C2)CCO1 ZINC000347005336 218089065 /nfs/dbraw/zinc/08/90/65/218089065.db2.gz OTJSGJIZLMDDMM-OLZOCXBDSA-N 2 2 255.362 -0.177 20 0 CBADLP CC(=O)NC[C@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)CCO1 ZINC000347005336 218089066 /nfs/dbraw/zinc/08/90/66/218089066.db2.gz OTJSGJIZLMDDMM-OLZOCXBDSA-N 2 2 255.362 -0.177 20 0 CBADLP CCNS(=O)(=O)[C@@H]1CC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000346986095 218078583 /nfs/dbraw/zinc/07/85/83/218078583.db2.gz RQPNTXDUZCTRSP-VXGBXAGGSA-N 2 2 275.418 0.000 20 0 CBADLP CCNS(=O)(=O)[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000346986095 218078586 /nfs/dbraw/zinc/07/85/86/218078586.db2.gz RQPNTXDUZCTRSP-VXGBXAGGSA-N 2 2 275.418 0.000 20 0 CBADLP Cn1cc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)c(=O)n(C)c1=O ZINC000347039294 218101341 /nfs/dbraw/zinc/10/13/41/218101341.db2.gz GTRYOMOLRPSPDI-NEPJUHHUSA-N 2 2 278.356 -0.590 20 0 CBADLP Cn1cc(C[N@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)c(=O)n(C)c1=O ZINC000347039294 218101343 /nfs/dbraw/zinc/10/13/43/218101343.db2.gz GTRYOMOLRPSPDI-NEPJUHHUSA-N 2 2 278.356 -0.590 20 0 CBADLP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1cn(C)c(=O)n(C)c1=O ZINC000347019967 218094723 /nfs/dbraw/zinc/09/47/23/218094723.db2.gz MMRUCAVNXVVUBF-ZYHUDNBSSA-N 2 2 280.372 -0.214 20 0 CBADLP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1cn(C)c(=O)n(C)c1=O ZINC000347019967 218094724 /nfs/dbraw/zinc/09/47/24/218094724.db2.gz MMRUCAVNXVVUBF-ZYHUDNBSSA-N 2 2 280.372 -0.214 20 0 CBADLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1cn(C)c(=O)n(C)c1=O ZINC000347019965 218095359 /nfs/dbraw/zinc/09/53/59/218095359.db2.gz MMRUCAVNXVVUBF-JQWIXIFHSA-N 2 2 280.372 -0.214 20 0 CBADLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1cn(C)c(=O)n(C)c1=O ZINC000347019965 218095361 /nfs/dbraw/zinc/09/53/61/218095361.db2.gz MMRUCAVNXVVUBF-JQWIXIFHSA-N 2 2 280.372 -0.214 20 0 CBADLP CC(C)([NH3+])C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000347128238 218131652 /nfs/dbraw/zinc/13/16/52/218131652.db2.gz PDZCBWCIDKUMNR-GFCCVEGCSA-N 3 2 268.405 -0.133 20 0 CBADLP CC(C)([NH3+])C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000347128238 218131654 /nfs/dbraw/zinc/13/16/54/218131654.db2.gz PDZCBWCIDKUMNR-GFCCVEGCSA-N 3 2 268.405 -0.133 20 0 CBADLP C[C@@H]1CN(c2ccc(CNC(=O)C[NH3+])c[nH+]2)CCO1 ZINC000347481125 218251355 /nfs/dbraw/zinc/25/13/55/218251355.db2.gz TUCHTRLOQYLURB-SNVBAGLBSA-N 2 2 264.329 -0.118 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000347705673 218328842 /nfs/dbraw/zinc/32/88/42/218328842.db2.gz ULUTYJHNFAYUSG-ZIAGYGMSSA-N 2 2 298.431 -0.683 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000347705673 218328845 /nfs/dbraw/zinc/32/88/45/218328845.db2.gz ULUTYJHNFAYUSG-ZIAGYGMSSA-N 2 2 298.431 -0.683 20 0 CBADLP COC(=O)[C@H]1C[N@H+](CCc2c[nH+]cn2C)CCO1 ZINC000347760976 218347653 /nfs/dbraw/zinc/34/76/53/218347653.db2.gz VOTFBCWMCMGWSA-LLVKDONJSA-N 2 2 253.302 -0.164 20 0 CBADLP COC(=O)[C@H]1C[N@@H+](CCc2c[nH+]cn2C)CCO1 ZINC000347760976 218347654 /nfs/dbraw/zinc/34/76/54/218347654.db2.gz VOTFBCWMCMGWSA-LLVKDONJSA-N 2 2 253.302 -0.164 20 0 CBADLP CNC(=O)[C@@H]1C[N@H+](CCc2c[nH+]cn2C)CCO1 ZINC000347781886 218354492 /nfs/dbraw/zinc/35/44/92/218354492.db2.gz LDTAPFMCRFWLDH-NSHDSACASA-N 2 2 252.318 -0.591 20 0 CBADLP CNC(=O)[C@@H]1C[N@@H+](CCc2c[nH+]cn2C)CCO1 ZINC000347781886 218354494 /nfs/dbraw/zinc/35/44/94/218354494.db2.gz LDTAPFMCRFWLDH-NSHDSACASA-N 2 2 252.318 -0.591 20 0 CBADLP CC[N@H+](CCO)CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000347818425 218368232 /nfs/dbraw/zinc/36/82/32/218368232.db2.gz YDUPZJRSBBWJDC-GFCCVEGCSA-N 2 2 280.372 -0.124 20 0 CBADLP CC[N@@H+](CCO)CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000347818425 218368235 /nfs/dbraw/zinc/36/82/35/218368235.db2.gz YDUPZJRSBBWJDC-GFCCVEGCSA-N 2 2 280.372 -0.124 20 0 CBADLP C[NH+]1CCC(CCO)(NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000347911690 218396731 /nfs/dbraw/zinc/39/67/31/218396731.db2.gz HVZJTOSDYLKACN-GFCCVEGCSA-N 2 2 285.388 -0.720 20 0 CBADLP C[NH+]1CCC(CCO)(NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000347911690 218396733 /nfs/dbraw/zinc/39/67/33/218396733.db2.gz HVZJTOSDYLKACN-GFCCVEGCSA-N 2 2 285.388 -0.720 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC(C(N)=O)CC2)CC1 ZINC000078270417 207361808 /nfs/dbraw/zinc/36/18/08/207361808.db2.gz KBASAMOGESBOJL-LBPRGKRZSA-N 2 2 296.415 -0.264 20 0 CBADLP CNC(=O)[C@H]1CCC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000093173346 207366022 /nfs/dbraw/zinc/36/60/22/207366022.db2.gz IYFGCDMMEUEZIL-LBPRGKRZSA-N 2 2 282.388 -0.782 20 0 CBADLP CNC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000093173346 207366025 /nfs/dbraw/zinc/36/60/25/207366025.db2.gz IYFGCDMMEUEZIL-LBPRGKRZSA-N 2 2 282.388 -0.782 20 0 CBADLP C[C@@H]1C[C@H]([NH+](C)CCNS(C)(=O)=O)CC[N@@H+]1C ZINC000123128639 207367089 /nfs/dbraw/zinc/36/70/89/207367089.db2.gz RZNKEAVDNQIKEV-GHMZBOCLSA-N 2 2 263.407 -0.050 20 0 CBADLP C[C@@H]1C[C@H]([NH+](C)CCNS(C)(=O)=O)CC[N@H+]1C ZINC000123128639 207367093 /nfs/dbraw/zinc/36/70/93/207367093.db2.gz RZNKEAVDNQIKEV-GHMZBOCLSA-N 2 2 263.407 -0.050 20 0 CBADLP C[C@@H]1C[C@H]([N@H+](C)CCNS(C)(=O)=O)CC[NH+]1C ZINC000123128639 207367098 /nfs/dbraw/zinc/36/70/98/207367098.db2.gz RZNKEAVDNQIKEV-GHMZBOCLSA-N 2 2 263.407 -0.050 20 0 CBADLP C[C@@H]1C[C@H]([N@@H+](C)CCNS(C)(=O)=O)CC[NH+]1C ZINC000123128639 207367102 /nfs/dbraw/zinc/36/71/02/207367102.db2.gz RZNKEAVDNQIKEV-GHMZBOCLSA-N 2 2 263.407 -0.050 20 0 CBADLP C[C@H](O)C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000163218178 207394451 /nfs/dbraw/zinc/39/44/51/207394451.db2.gz ZEICVAKTDPUVDU-STQMWFEESA-N 2 2 269.389 -0.004 20 0 CBADLP C[C@H](O)C[C@@H]1CCC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000163218178 207394460 /nfs/dbraw/zinc/39/44/60/207394460.db2.gz ZEICVAKTDPUVDU-STQMWFEESA-N 2 2 269.389 -0.004 20 0 CBADLP O=C(C[NH2+]C[C@@H]1CCCO1)NCC[NH+]1CCOCC1 ZINC000163419380 207395589 /nfs/dbraw/zinc/39/55/89/207395589.db2.gz CBZFOAGQTZFXRT-LBPRGKRZSA-N 2 2 271.361 -0.797 20 0 CBADLP C[C@@H](O)C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000163218290 207396338 /nfs/dbraw/zinc/39/63/38/207396338.db2.gz ZEICVAKTDPUVDU-OLZOCXBDSA-N 2 2 269.389 -0.004 20 0 CBADLP C[C@@H](O)C[C@@H]1CCC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000163218290 207396343 /nfs/dbraw/zinc/39/63/43/207396343.db2.gz ZEICVAKTDPUVDU-OLZOCXBDSA-N 2 2 269.389 -0.004 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)N1CC[NH+](C2CCCC2)CC1 ZINC000164450716 207398354 /nfs/dbraw/zinc/39/83/54/207398354.db2.gz NNOUZLHZFXUWSE-UHFFFAOYSA-N 2 2 294.399 -0.495 20 0 CBADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)[C@H]2CSC[NH2+]2)C[C@@H]1C ZINC000167981696 207398508 /nfs/dbraw/zinc/39/85/08/207398508.db2.gz PWHCTPYAFKEBOY-HBNTYKKESA-N 2 2 273.402 -0.438 20 0 CBADLP C[C@@H](O)C[N@H+]1CCN(C(=O)[C@H]2CSC[NH2+]2)C[C@@H]1C ZINC000167981696 207398513 /nfs/dbraw/zinc/39/85/13/207398513.db2.gz PWHCTPYAFKEBOY-HBNTYKKESA-N 2 2 273.402 -0.438 20 0 CBADLP C[C@@H](NC(=O)[C@@H]1C[NH2+]CCO1)[C@H](C)[NH+]1CCOCC1 ZINC000167693857 207398561 /nfs/dbraw/zinc/39/85/61/207398561.db2.gz VPBXLDHBHRSOKQ-WOPDTQHZSA-N 2 2 271.361 -0.800 20 0 CBADLP C[C@H](CNC(=O)CN1CC[NH2+]CC1=O)[NH+]1CCC(C)CC1 ZINC000166341364 207398987 /nfs/dbraw/zinc/39/89/87/207398987.db2.gz GKQKCQCZAGZJDX-CYBMUJFWSA-N 2 2 296.415 -0.345 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@H]2CC[NH2+]C2)C[C@@H]1[NH+]1CCOCC1 ZINC000178862171 207425583 /nfs/dbraw/zinc/42/55/83/207425583.db2.gz KLYGZHBWXUPKCB-UPJWGTAASA-N 2 2 267.373 -0.225 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@H]([NH3+])C1CC1 ZINC000417031636 207550699 /nfs/dbraw/zinc/55/06/99/207550699.db2.gz PFHPBIUNYXQQDZ-PWSUYJOCSA-N 2 2 270.377 -0.256 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000420009627 207773878 /nfs/dbraw/zinc/77/38/78/207773878.db2.gz DCDBPKNDDSUYKK-QWHCGFSZSA-N 2 2 296.415 -0.216 20 0 CBADLP CN(C)c1[nH+]cc(C[N@@H+]2C[C@@H](O)C[C@@H]2CO)n1C ZINC000425343198 208018874 /nfs/dbraw/zinc/01/88/74/208018874.db2.gz RHGABVXSTAVVPE-KOLCDFICSA-N 2 2 254.334 -0.586 20 0 CBADLP CN(C)c1[nH+]cc(C[N@H+]2C[C@@H](O)C[C@@H]2CO)n1C ZINC000425343198 208018882 /nfs/dbraw/zinc/01/88/82/208018882.db2.gz RHGABVXSTAVVPE-KOLCDFICSA-N 2 2 254.334 -0.586 20 0 CBADLP CO[C@@H]1C[N@H+](Cc2c[nH+]c(N(C)C)n2C)C[C@H]1O ZINC000425368498 208021214 /nfs/dbraw/zinc/02/12/14/208021214.db2.gz KEDCESUDWYDWHQ-GHMZBOCLSA-N 2 2 254.334 -0.322 20 0 CBADLP CO[C@@H]1C[N@@H+](Cc2c[nH+]c(N(C)C)n2C)C[C@H]1O ZINC000425368498 208021217 /nfs/dbraw/zinc/02/12/17/208021217.db2.gz KEDCESUDWYDWHQ-GHMZBOCLSA-N 2 2 254.334 -0.322 20 0 CBADLP COCCNC(=[NH2+])NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000368354653 285064802 /nfs/dbraw/zinc/06/48/02/285064802.db2.gz KNAUSVMEGSBHLR-LLVKDONJSA-N 2 2 256.350 -0.390 20 0 CBADLP COCCNC(=[NH2+])NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000368354653 285064803 /nfs/dbraw/zinc/06/48/03/285064803.db2.gz KNAUSVMEGSBHLR-LLVKDONJSA-N 2 2 256.350 -0.390 20 0 CBADLP C[C@@H](C(=O)N1CCC(C[NH3+])CC1)[NH+]1CCOCC1 ZINC000428147782 208081495 /nfs/dbraw/zinc/08/14/95/208081495.db2.gz FSQKIRCCYOAASC-NSHDSACASA-N 2 2 255.362 -0.096 20 0 CBADLP C(C[NH+]1CCc2nn[nH]c2C1)C[N@@H+]1CCc2nn[nH]c2C1 ZINC000429320330 208119840 /nfs/dbraw/zinc/11/98/40/208119840.db2.gz VGGLOHNFPOUZCY-UHFFFAOYSA-N 2 2 288.359 -0.271 20 0 CBADLP C(C[NH+]1CCc2nn[nH]c2C1)C[N@H+]1CCc2nn[nH]c2C1 ZINC000429320330 208119847 /nfs/dbraw/zinc/11/98/47/208119847.db2.gz VGGLOHNFPOUZCY-UHFFFAOYSA-N 2 2 288.359 -0.271 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000429319099 208120241 /nfs/dbraw/zinc/12/02/41/208120241.db2.gz QJMKNGKTIMEFCK-UHFFFAOYSA-N 2 2 288.351 -0.297 20 0 CBADLP C[C@@H](C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1)[NH+]1CCOCC1 ZINC000429367242 208120467 /nfs/dbraw/zinc/12/04/67/208120467.db2.gz VGWHNBGBODVLMX-UTUOFQBUSA-N 2 2 255.362 -0.084 20 0 CBADLP COC[C@@H](C)NC(=O)NC(=O)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430621250 208168249 /nfs/dbraw/zinc/16/82/49/208168249.db2.gz COESUDHIXJOVRY-MNOVXSKESA-N 2 2 286.376 -0.482 20 0 CBADLP COC[C@@H](C)NC(=O)NC(=O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430621250 208168254 /nfs/dbraw/zinc/16/82/54/208168254.db2.gz COESUDHIXJOVRY-MNOVXSKESA-N 2 2 286.376 -0.482 20 0 CBADLP C[N@H+](CC(=O)N1CC[NH2+]CC1)[C@@H]1CCN(C2CC2)C1=O ZINC000430619826 208168497 /nfs/dbraw/zinc/16/84/97/208168497.db2.gz AAWMPSCUUJTKMX-GFCCVEGCSA-N 2 2 280.372 -0.887 20 0 CBADLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)[C@@H]1CCN(C2CC2)C1=O ZINC000430619826 208168504 /nfs/dbraw/zinc/16/85/04/208168504.db2.gz AAWMPSCUUJTKMX-GFCCVEGCSA-N 2 2 280.372 -0.887 20 0 CBADLP COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430621251 208168644 /nfs/dbraw/zinc/16/86/44/208168644.db2.gz COESUDHIXJOVRY-QWRGUYRKSA-N 2 2 286.376 -0.482 20 0 CBADLP COC[C@H](C)NC(=O)NC(=O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430621251 208168646 /nfs/dbraw/zinc/16/86/46/208168646.db2.gz COESUDHIXJOVRY-QWRGUYRKSA-N 2 2 286.376 -0.482 20 0 CBADLP CN(CC1CC1)C(=O)C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430648119 208168820 /nfs/dbraw/zinc/16/88/20/208168820.db2.gz GVDSCBZSQVEMBB-UHFFFAOYSA-N 2 2 282.388 -0.782 20 0 CBADLP CN(CC1CC1)C(=O)C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430648119 208168827 /nfs/dbraw/zinc/16/88/27/208168827.db2.gz GVDSCBZSQVEMBB-UHFFFAOYSA-N 2 2 282.388 -0.782 20 0 CBADLP C[C@@H](C[N@H+](C)CC(=O)N1CC[NH2+]CC1)CS(C)(=O)=O ZINC000430643952 208169109 /nfs/dbraw/zinc/16/91/09/208169109.db2.gz SMPUDSLKQFKUAO-NSHDSACASA-N 2 2 291.417 -0.969 20 0 CBADLP C[C@@H](C[N@@H+](C)CC(=O)N1CC[NH2+]CC1)CS(C)(=O)=O ZINC000430643952 208169113 /nfs/dbraw/zinc/16/91/13/208169113.db2.gz SMPUDSLKQFKUAO-NSHDSACASA-N 2 2 291.417 -0.969 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC([NH3+])CC2)CC1 ZINC000430630602 208170469 /nfs/dbraw/zinc/17/04/69/208170469.db2.gz YZKIWOLSMGYXRY-LBPRGKRZSA-N 3 2 268.405 -0.038 20 0 CBADLP COCC[NH2+]CC(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000361717273 285076512 /nfs/dbraw/zinc/07/65/12/285076512.db2.gz CNLPPXNDTXBEDI-ZIAGYGMSSA-N 2 2 299.415 -0.018 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000430736982 208178067 /nfs/dbraw/zinc/17/80/67/208178067.db2.gz HAYPVGXJLTZFTQ-ZIAGYGMSSA-N 2 2 296.415 -0.216 20 0 CBADLP C[C@H]1C[C@@H](N(C)C(=O)CN2CC[NH2+]CC2=O)CC[N@@H+]1C ZINC000430793513 208180407 /nfs/dbraw/zinc/18/04/07/208180407.db2.gz LVQZKEWFFVHSES-RYUDHWBXSA-N 2 2 282.388 -0.641 20 0 CBADLP C[C@H]1C[C@@H](N(C)C(=O)CN2CC[NH2+]CC2=O)CC[N@H+]1C ZINC000430793513 208180412 /nfs/dbraw/zinc/18/04/12/208180412.db2.gz LVQZKEWFFVHSES-RYUDHWBXSA-N 2 2 282.388 -0.641 20 0 CBADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000430801319 208180887 /nfs/dbraw/zinc/18/08/87/208180887.db2.gz YYLYJLVWYOLZQR-GHMZBOCLSA-N 2 2 282.388 -0.478 20 0 CBADLP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)CN1CC[NH2+]CC1=O ZINC000430788569 208182586 /nfs/dbraw/zinc/18/25/86/208182586.db2.gz CQZGPDHOVIICBI-CHWSQXEVSA-N 2 2 294.399 -0.497 20 0 CBADLP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)CN1CC[NH2+]CC1=O ZINC000430788569 208182590 /nfs/dbraw/zinc/18/25/90/208182590.db2.gz CQZGPDHOVIICBI-CHWSQXEVSA-N 2 2 294.399 -0.497 20 0 CBADLP CC[N@@H+]1CC[C@@H](N(C)C(=O)CN2CC[NH2+]CC2=O)[C@@H](C)C1 ZINC000430801826 208183708 /nfs/dbraw/zinc/18/37/08/208183708.db2.gz HKLZPZKOWQKUOU-QWHCGFSZSA-N 2 2 296.415 -0.393 20 0 CBADLP CC[N@H+]1CC[C@@H](N(C)C(=O)CN2CC[NH2+]CC2=O)[C@@H](C)C1 ZINC000430801826 208183714 /nfs/dbraw/zinc/18/37/14/208183714.db2.gz HKLZPZKOWQKUOU-QWHCGFSZSA-N 2 2 296.415 -0.393 20 0 CBADLP COCC[C@@]1(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)CC[NH2+]C1 ZINC000430880993 208186650 /nfs/dbraw/zinc/18/66/50/208186650.db2.gz XDKNFLPUQWMJLE-ZFWWWQNUSA-N 2 2 299.415 -0.161 20 0 CBADLP COCC[C@@]1(C(=O)NCC[N@H+]2CCOC[C@@H]2C)CC[NH2+]C1 ZINC000430880993 208186654 /nfs/dbraw/zinc/18/66/54/208186654.db2.gz XDKNFLPUQWMJLE-ZFWWWQNUSA-N 2 2 299.415 -0.161 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000430882545 208187565 /nfs/dbraw/zinc/18/75/65/208187565.db2.gz LVOOLSMIQKTLFQ-WOPDTQHZSA-N 2 2 255.362 -0.049 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000430882545 208187572 /nfs/dbraw/zinc/18/75/72/208187572.db2.gz LVOOLSMIQKTLFQ-WOPDTQHZSA-N 2 2 255.362 -0.049 20 0 CBADLP CC1(C)COCC[N@@H+]1CCNC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000430876428 208187895 /nfs/dbraw/zinc/18/78/95/208187895.db2.gz QYHJUGAMUKUPIS-ZDUSSCGKSA-N 2 2 299.415 -0.018 20 0 CBADLP CC1(C)COCC[N@H+]1CCNC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000430876428 208187902 /nfs/dbraw/zinc/18/79/02/208187902.db2.gz QYHJUGAMUKUPIS-ZDUSSCGKSA-N 2 2 299.415 -0.018 20 0 CBADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000430931175 208193102 /nfs/dbraw/zinc/19/31/02/208193102.db2.gz YWUJNTRKBDGKRW-QWRGUYRKSA-N 2 2 268.361 -0.996 20 0 CBADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000430931175 208193107 /nfs/dbraw/zinc/19/31/07/208193107.db2.gz YWUJNTRKBDGKRW-QWRGUYRKSA-N 2 2 268.361 -0.996 20 0 CBADLP COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430939487 208193317 /nfs/dbraw/zinc/19/33/17/208193317.db2.gz LHIHUBLMXLIFGK-VWYCJHECSA-N 2 2 286.376 -0.484 20 0 CBADLP COC[C@H](C)NC(=O)NC(=O)C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430939487 208193323 /nfs/dbraw/zinc/19/33/23/208193323.db2.gz LHIHUBLMXLIFGK-VWYCJHECSA-N 2 2 286.376 -0.484 20 0 CBADLP C[NH2+]C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N(C)CC(=O)NC2CC2)C1 ZINC000430951696 208194146 /nfs/dbraw/zinc/19/41/46/208194146.db2.gz WGVKHYJRNOMNCD-RYUDHWBXSA-N 2 2 296.415 -0.347 20 0 CBADLP C[NH2+]C[C@@H]1CC[N@H+]([C@@H](C)C(=O)N(C)CC(=O)NC2CC2)C1 ZINC000430951696 208194151 /nfs/dbraw/zinc/19/41/51/208194151.db2.gz WGVKHYJRNOMNCD-RYUDHWBXSA-N 2 2 296.415 -0.347 20 0 CBADLP CC[C@H]([NH3+])C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000431005468 208194832 /nfs/dbraw/zinc/19/48/32/208194832.db2.gz MTBHSOFJEJWONU-JTQLQIEISA-N 2 2 251.334 -0.209 20 0 CBADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)NC(=O)N[C@@H](C)COC)C1 ZINC000430970355 208196114 /nfs/dbraw/zinc/19/61/14/208196114.db2.gz JRVINZVUKIXQPS-QWRGUYRKSA-N 2 2 286.376 -0.612 20 0 CBADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)NC(=O)N[C@@H](C)COC)C1 ZINC000430970355 208196119 /nfs/dbraw/zinc/19/61/19/208196119.db2.gz JRVINZVUKIXQPS-QWRGUYRKSA-N 2 2 286.376 -0.612 20 0 CBADLP COC[C@@H](C)NC(=O)NC(=O)C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000430968110 208196150 /nfs/dbraw/zinc/19/61/50/208196150.db2.gz WZCFUPVQTUFOJI-ZJUUUORDSA-N 2 2 272.349 -0.872 20 0 CBADLP COC[C@@H](C)NC(=O)NC(=O)C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430968110 208196154 /nfs/dbraw/zinc/19/61/54/208196154.db2.gz WZCFUPVQTUFOJI-ZJUUUORDSA-N 2 2 272.349 -0.872 20 0 CBADLP C[C@@H]1C[N@H+](CC(=O)NCC(=O)N2CCCC2)CC[C@@H]1[NH3+] ZINC000430970171 208196176 /nfs/dbraw/zinc/19/61/76/208196176.db2.gz GGJVIORCROAZNF-NEPJUHHUSA-N 2 2 282.388 -0.606 20 0 CBADLP C[C@@H]1C[N@@H+](CC(=O)NCC(=O)N2CCCC2)CC[C@@H]1[NH3+] ZINC000430970171 208196182 /nfs/dbraw/zinc/19/61/82/208196182.db2.gz GGJVIORCROAZNF-NEPJUHHUSA-N 2 2 282.388 -0.606 20 0 CBADLP C[C@@H]1C[N@H+](CC(=O)NCC(=O)N2CCCC2)CC[C@H]1[NH3+] ZINC000430970174 208196228 /nfs/dbraw/zinc/19/62/28/208196228.db2.gz GGJVIORCROAZNF-VXGBXAGGSA-N 2 2 282.388 -0.606 20 0 CBADLP C[C@@H]1C[N@@H+](CC(=O)NCC(=O)N2CCCC2)CC[C@H]1[NH3+] ZINC000430970174 208196232 /nfs/dbraw/zinc/19/62/32/208196232.db2.gz GGJVIORCROAZNF-VXGBXAGGSA-N 2 2 282.388 -0.606 20 0 CBADLP COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000430968108 208196950 /nfs/dbraw/zinc/19/69/50/208196950.db2.gz WZCFUPVQTUFOJI-UWVGGRQHSA-N 2 2 272.349 -0.872 20 0 CBADLP COC[C@H](C)NC(=O)NC(=O)C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430968108 208196955 /nfs/dbraw/zinc/19/69/55/208196955.db2.gz WZCFUPVQTUFOJI-UWVGGRQHSA-N 2 2 272.349 -0.872 20 0 CBADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000431023508 208197973 /nfs/dbraw/zinc/19/79/73/208197973.db2.gz RFBAQABLCRRABG-FRRDWIJNSA-N 2 2 268.405 -0.134 20 0 CBADLP CC(C)[C@H](C[NH3+])C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000433167771 208239786 /nfs/dbraw/zinc/23/97/86/208239786.db2.gz JWYJQRXCANZTRO-STQMWFEESA-N 2 2 270.421 -0.031 20 0 CBADLP C[C@@H]([NH3+])CCC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000434682131 208265066 /nfs/dbraw/zinc/26/50/66/208265066.db2.gz VAMVFGXEUBAUBZ-SNVBAGLBSA-N 2 2 270.377 -0.478 20 0 CBADLP C[C@H]([NH3+])CCC(=O)NC[C@H](C)[NH+]1CCN(C)CC1 ZINC000434676635 208266291 /nfs/dbraw/zinc/26/62/91/208266291.db2.gz SRJCMTKZQWQWOY-RYUDHWBXSA-N 2 2 256.394 -0.134 20 0 CBADLP CC[N@H+](CC(=O)N1CCNC(=O)C1)[C@@H]1CCC[NH2+]CC1 ZINC000435626310 208283703 /nfs/dbraw/zinc/28/37/03/208283703.db2.gz KLNLTJYPMNJZHF-GFCCVEGCSA-N 2 2 282.388 -0.591 20 0 CBADLP CC[N@@H+](CC(=O)N1CCNC(=O)C1)[C@@H]1CCC[NH2+]CC1 ZINC000435626310 208283704 /nfs/dbraw/zinc/28/37/04/208283704.db2.gz KLNLTJYPMNJZHF-GFCCVEGCSA-N 2 2 282.388 -0.591 20 0 CBADLP C[NH2+]CCC[NH+]1CCC(N(C)S(C)(=O)=O)CC1 ZINC000435885303 208284560 /nfs/dbraw/zinc/28/45/60/208284560.db2.gz INEAONHEQLRRRU-UHFFFAOYSA-N 2 2 263.407 -0.048 20 0 CBADLP CN(C)c1cc(NC(=O)[C@@H]([NH3+])CC(N)=O)cc[nH+]1 ZINC000438890226 208316707 /nfs/dbraw/zinc/31/67/07/208316707.db2.gz LFKUXYQCAPNSCS-QMMMGPOBSA-N 2 2 251.290 -0.711 20 0 CBADLP CCN(CC)C(=O)C[NH+]1CCN(C[C@@H](C)[NH3+])CC1 ZINC000442656219 208358429 /nfs/dbraw/zinc/35/84/29/208358429.db2.gz FELYHKBTIVBRSC-GFCCVEGCSA-N 2 2 256.394 -0.180 20 0 CBADLP COCCCNC(=O)[C@H](C)[NH+]1CCN(C[C@H](C)[NH3+])CC1 ZINC000442658905 208359045 /nfs/dbraw/zinc/35/90/45/208359045.db2.gz JKXULDYOEWUHCM-STQMWFEESA-N 2 2 286.420 -0.508 20 0 CBADLP COCCCNC(=O)[C@@H](C)[NH+]1CCN(C[C@H](C)[NH3+])CC1 ZINC000442658902 208359632 /nfs/dbraw/zinc/35/96/32/208359632.db2.gz JKXULDYOEWUHCM-QWHCGFSZSA-N 2 2 286.420 -0.508 20 0 CBADLP CCN(CCNC(=O)C[NH+](C)C)C(=O)C[NH+](C)C ZINC000442821851 208368352 /nfs/dbraw/zinc/36/83/52/208368352.db2.gz NQCZFVWBEGRKSD-UHFFFAOYSA-N 2 2 258.366 -0.926 20 0 CBADLP C[C@H](C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21)[NH+]1CCOCC1 ZINC000449736026 208502674 /nfs/dbraw/zinc/50/26/74/208502674.db2.gz VLMCAKKSAWHMHF-FRRDWIJNSA-N 2 2 267.373 -0.083 20 0 CBADLP O=C1NCC[C@@H]1[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000245690356 296375994 /nfs/dbraw/zinc/37/59/94/296375994.db2.gz PGZSYMGMYCTPGL-OLZOCXBDSA-N 2 2 267.373 -0.081 20 0 CBADLP O=C1NCC[C@@H]1[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000245690356 296375996 /nfs/dbraw/zinc/37/59/96/296375996.db2.gz PGZSYMGMYCTPGL-OLZOCXBDSA-N 2 2 267.373 -0.081 20 0 CBADLP CC[C@H](C(N)=O)[NH+]1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000350629263 219040387 /nfs/dbraw/zinc/04/03/87/219040387.db2.gz MLBABNJGLGMKIJ-GFCCVEGCSA-N 2 2 284.404 -0.264 20 0 CBADLP CC(C)C[C@@H](C[NH3+])NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000574862099 335053050 /nfs/dbraw/zinc/05/30/50/335053050.db2.gz CPPMGIVNBIHIDX-NWDGAFQWSA-N 3 2 271.409 -0.356 20 0 CBADLP CC(C)C[C@@H](C[NH3+])NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000574862099 335053051 /nfs/dbraw/zinc/05/30/51/335053051.db2.gz CPPMGIVNBIHIDX-NWDGAFQWSA-N 3 2 271.409 -0.356 20 0 CBADLP COC[C@@H](C)[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362830729 285205735 /nfs/dbraw/zinc/20/57/35/285205735.db2.gz MHKUTZNYJKCMCZ-VXGBXAGGSA-N 2 2 255.362 -0.083 20 0 CBADLP COC[C@@H](C)[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362830729 285205736 /nfs/dbraw/zinc/20/57/36/285205736.db2.gz MHKUTZNYJKCMCZ-VXGBXAGGSA-N 2 2 255.362 -0.083 20 0 CBADLP C[NH2+]C[C@](C)(O)C[NH+]1CCN(Cc2nccn2C)CC1 ZINC000574881054 335055039 /nfs/dbraw/zinc/05/50/39/335055039.db2.gz ARPFYCVNRDKUCV-AWEZNQCLSA-N 2 2 281.404 -0.492 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)[C@@H]2COC[C@H]2O)CC1 ZINC000329156957 285298186 /nfs/dbraw/zinc/29/81/86/285298186.db2.gz CXUXODCNSFZGSR-JHJVBQTASA-N 2 2 285.388 -0.770 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)[C@@H]2COC[C@H]2O)CC1 ZINC000329156957 285298187 /nfs/dbraw/zinc/29/81/87/285298187.db2.gz CXUXODCNSFZGSR-JHJVBQTASA-N 2 2 285.388 -0.770 20 0 CBADLP Cc1cc(CC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])no1 ZINC000575060350 335060722 /nfs/dbraw/zinc/06/07/22/335060722.db2.gz MISGLNQIVJGSGF-NSHDSACASA-N 2 2 252.318 -0.373 20 0 CBADLP Cc1cc(CC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])no1 ZINC000575060350 335060723 /nfs/dbraw/zinc/06/07/23/335060723.db2.gz MISGLNQIVJGSGF-NSHDSACASA-N 2 2 252.318 -0.373 20 0 CBADLP COC[C@H](C)[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362830727 285341206 /nfs/dbraw/zinc/34/12/06/285341206.db2.gz MHKUTZNYJKCMCZ-NWDGAFQWSA-N 2 2 255.362 -0.083 20 0 CBADLP COC[C@H](C)[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362830727 285341207 /nfs/dbraw/zinc/34/12/07/285341207.db2.gz MHKUTZNYJKCMCZ-NWDGAFQWSA-N 2 2 255.362 -0.083 20 0 CBADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](Cc3cncs3)CCN2C1=O ZINC000575073008 335062198 /nfs/dbraw/zinc/06/21/98/335062198.db2.gz NRUWWHYGFXZIAU-PSASIEDQSA-N 2 2 252.343 -0.113 20 0 CBADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](Cc3cncs3)CCN2C1=O ZINC000575073008 335062200 /nfs/dbraw/zinc/06/22/00/335062200.db2.gz NRUWWHYGFXZIAU-PSASIEDQSA-N 2 2 252.343 -0.113 20 0 CBADLP [NH3+][C@H]1C[C@@H]2C[N@H+](Cc3cncs3)CCN2C1=O ZINC000575073009 335062322 /nfs/dbraw/zinc/06/23/22/335062322.db2.gz NRUWWHYGFXZIAU-SCZZXKLOSA-N 2 2 252.343 -0.113 20 0 CBADLP [NH3+][C@H]1C[C@@H]2C[N@@H+](Cc3cncs3)CCN2C1=O ZINC000575073009 335062324 /nfs/dbraw/zinc/06/23/24/335062324.db2.gz NRUWWHYGFXZIAU-SCZZXKLOSA-N 2 2 252.343 -0.113 20 0 CBADLP CCOCCNC(=O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428037495 286094721 /nfs/dbraw/zinc/09/47/21/286094721.db2.gz UEYZCNFREFOMIE-NWDGAFQWSA-N 2 2 255.362 -0.177 20 0 CBADLP CCOCCNC(=O)C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428037495 286094722 /nfs/dbraw/zinc/09/47/22/286094722.db2.gz UEYZCNFREFOMIE-NWDGAFQWSA-N 2 2 255.362 -0.177 20 0 CBADLP O=C([C@@H]1C[NH2+]CCO1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000237953904 304369608 /nfs/dbraw/zinc/36/96/08/304369608.db2.gz VKVFSDFYVLYLQN-KGLIPLIRSA-N 2 2 297.399 -0.312 20 0 CBADLP CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000353173017 286793211 /nfs/dbraw/zinc/79/32/11/286793211.db2.gz MBAKNAWIEYWJDD-GHMZBOCLSA-N 2 2 284.404 -0.232 20 0 CBADLP CC[C@@H]([NH2+]CCS(=O)(=O)N(C)C)[C@@H]1CCC[NH2+]1 ZINC000423143620 286908494 /nfs/dbraw/zinc/90/84/94/286908494.db2.gz XOWHFZTYAZPFHU-MNOVXSKESA-N 2 2 263.407 -0.002 20 0 CBADLP C[C@@H](O)C[N@@H+]1CCN(CC(=O)N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000189551121 287093842 /nfs/dbraw/zinc/09/38/42/287093842.db2.gz RIZAFHDZSSEHIP-UONOGXRCSA-N 2 2 298.431 -0.853 20 0 CBADLP C[C@@H](O)C[N@H+]1CCN(CC(=O)N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000189551121 287093843 /nfs/dbraw/zinc/09/38/43/287093843.db2.gz RIZAFHDZSSEHIP-UONOGXRCSA-N 2 2 298.431 -0.853 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)CN1CC[NH2+]CC1 ZINC000037631306 411623526 /nfs/dbraw/zinc/62/35/26/411623526.db2.gz AXWCHDZWUGTFNI-NSHDSACASA-N 2 2 251.334 -0.707 20 0 CBADLP [NH3+]C1(C(=O)N2CC[NH+](CCO)CC2)CCCCC1 ZINC000035609615 172295079 /nfs/dbraw/zinc/29/50/79/172295079.db2.gz KFGAYKYTLFBHFZ-UHFFFAOYSA-N 2 2 255.362 -0.216 20 0 CBADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)[C@@H]1CCCO1 ZINC000035735744 172388429 /nfs/dbraw/zinc/38/84/29/172388429.db2.gz ZYGZDXAHUMJIBN-NEPJUHHUSA-N 2 2 255.362 -0.083 20 0 CBADLP C[C@@H]1CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)[C@H](C[NH3+])C1 ZINC000662896557 414062072 /nfs/dbraw/zinc/06/20/72/414062072.db2.gz NXXWPTRPRKGMMC-GRYCIOLGSA-N 3 2 256.394 -0.149 20 0 CBADLP CN(C(=O)[C@H]1CC[NH2+]1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662900989 414058993 /nfs/dbraw/zinc/05/89/93/414058993.db2.gz QZRLBFKHDNZHCV-ZIAGYGMSSA-N 3 2 280.416 -0.025 20 0 CBADLP CN(C(=O)[C@H]1CC[NH2+]1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662900989 414058995 /nfs/dbraw/zinc/05/89/95/414058995.db2.gz QZRLBFKHDNZHCV-ZIAGYGMSSA-N 3 2 280.416 -0.025 20 0 CBADLP C[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662900536 414059538 /nfs/dbraw/zinc/05/95/38/414059538.db2.gz NCRGZCODKNMEOJ-WCQYABFASA-N 3 2 268.405 -0.040 20 0 CBADLP C[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662900536 414059547 /nfs/dbraw/zinc/05/95/47/414059547.db2.gz NCRGZCODKNMEOJ-WCQYABFASA-N 3 2 268.405 -0.040 20 0 CBADLP CC(C)[C@@H](C)NC(=O)C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031375 174026303 /nfs/dbraw/zinc/02/63/03/174026303.db2.gz ZTFJHVIOLFGQQI-GFCCVEGCSA-N 2 2 284.404 -0.489 20 0 CBADLP CC(C)[C@@H](C)NC(=O)C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031375 174026304 /nfs/dbraw/zinc/02/63/04/174026304.db2.gz ZTFJHVIOLFGQQI-GFCCVEGCSA-N 2 2 284.404 -0.489 20 0 CBADLP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1cccc(C(N)=O)c1 ZINC000038031448 174026613 /nfs/dbraw/zinc/02/66/13/174026613.db2.gz OTMYBGCFPDRMIY-UHFFFAOYSA-N 2 2 290.367 -0.351 20 0 CBADLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1cccc(C(N)=O)c1 ZINC000038031448 174026615 /nfs/dbraw/zinc/02/66/15/174026615.db2.gz OTMYBGCFPDRMIY-UHFFFAOYSA-N 2 2 290.367 -0.351 20 0 CBADLP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000040601426 174351587 /nfs/dbraw/zinc/35/15/87/174351587.db2.gz VRDPQOCCRVUKJA-NXEZZACHSA-N 2 2 256.350 -0.238 20 0 CBADLP CNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000040601426 174351588 /nfs/dbraw/zinc/35/15/88/174351588.db2.gz VRDPQOCCRVUKJA-NXEZZACHSA-N 2 2 256.350 -0.238 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC(O)CC2)CC1 ZINC000043302459 175002406 /nfs/dbraw/zinc/00/24/06/175002406.db2.gz IVYRDOUNXSKIQF-LBPRGKRZSA-N 2 2 269.389 -0.004 20 0 CBADLP [NH3+]C[C@H]1CCC[N@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000044529897 175194554 /nfs/dbraw/zinc/19/45/54/175194554.db2.gz BTOXWPQZEGWPSJ-SECBINFHSA-N 2 2 254.334 -0.355 20 0 CBADLP [NH3+]C[C@H]1CCC[N@@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000044529897 175194556 /nfs/dbraw/zinc/19/45/56/175194556.db2.gz BTOXWPQZEGWPSJ-SECBINFHSA-N 2 2 254.334 -0.355 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)N2CC[NH+](CCO)CC2)CC1 ZINC000071798570 176265586 /nfs/dbraw/zinc/26/55/86/176265586.db2.gz BULXVAWJCWABAV-CQSZACIVSA-N 2 2 298.431 -0.851 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)N2CC[NH+](CCO)CC2)CC1 ZINC000071798571 176265675 /nfs/dbraw/zinc/26/56/75/176265675.db2.gz BULXVAWJCWABAV-AWEZNQCLSA-N 2 2 298.431 -0.851 20 0 CBADLP COc1c[nH+]ccc1N1CC[NH+]([C@@H]2COC[C@H]2O)CC1 ZINC000575227954 335084560 /nfs/dbraw/zinc/08/45/60/335084560.db2.gz DIEPKJAYIXNNQO-CHWSQXEVSA-N 2 2 279.340 -0.028 20 0 CBADLP COc1ccc(C[NH2+]CC(=O)N2CC[NH+](C)CC2)cn1 ZINC000062070851 544421205 /nfs/dbraw/zinc/42/12/05/544421205.db2.gz XIINOELTAQOQOT-UHFFFAOYSA-N 2 2 278.356 -0.046 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@]1(C)CCC[NH2+]1 ZINC000079513120 544426452 /nfs/dbraw/zinc/42/64/52/544426452.db2.gz MNSVMVGWXZMYEO-AAEUAGOBSA-N 2 2 255.362 -0.035 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000085360172 544431223 /nfs/dbraw/zinc/43/12/23/544431223.db2.gz FLOTZNUWEUOGNS-TUAOUCFPSA-N 2 2 255.362 -0.049 20 0 CBADLP [NH3+]C1(C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000088130329 544433026 /nfs/dbraw/zinc/43/30/26/544433026.db2.gz RKFHAPKZSZPROA-LLVKDONJSA-N 2 2 253.346 -0.199 20 0 CBADLP CN1C(=O)CC[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)C1=O ZINC000090030441 544437628 /nfs/dbraw/zinc/43/76/28/544437628.db2.gz OQZDKHHKVSOPSZ-GHMZBOCLSA-N 2 2 269.345 -0.820 20 0 CBADLP COC[C@H]1CCC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000093178837 544442220 /nfs/dbraw/zinc/44/22/20/544442220.db2.gz CACPKFLGHDMKKT-GFCCVEGCSA-N 2 2 255.362 -0.129 20 0 CBADLP COC[C@H]1CCC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000093178837 544442225 /nfs/dbraw/zinc/44/22/25/544442225.db2.gz CACPKFLGHDMKKT-GFCCVEGCSA-N 2 2 255.362 -0.129 20 0 CBADLP C[C@@H]1C[C@@H]([NH2+]CC(=O)N2CCOCC2)CC[N@@H+]1C ZINC000128143146 544457402 /nfs/dbraw/zinc/45/74/02/544457402.db2.gz CRLNXTQVOTZOLP-NEPJUHHUSA-N 2 2 255.362 -0.083 20 0 CBADLP C[C@@H]1C[C@@H]([NH2+]CC(=O)N2CCOCC2)CC[N@H+]1C ZINC000128143146 544457404 /nfs/dbraw/zinc/45/74/04/544457404.db2.gz CRLNXTQVOTZOLP-NEPJUHHUSA-N 2 2 255.362 -0.083 20 0 CBADLP [NH3+]CCCCc1cn(CC[NH+]2CCOCC2)nn1 ZINC000228376432 544498260 /nfs/dbraw/zinc/49/82/60/544498260.db2.gz SRWUOJHETPGKRR-UHFFFAOYSA-N 2 2 253.350 -0.108 20 0 CBADLP CCNC(=O)CNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000175548587 544479822 /nfs/dbraw/zinc/47/98/22/544479822.db2.gz YGCODKPJCRDZKH-UHFFFAOYSA-N 2 2 299.419 -0.552 20 0 CBADLP CCC[NH+]1CCC([NH2+]CCS(=O)(=O)NC)CC1 ZINC000187175994 544485236 /nfs/dbraw/zinc/48/52/36/544485236.db2.gz ZLKVTKZWEVBBAX-UHFFFAOYSA-N 2 2 263.407 0.000 20 0 CBADLP C[N@H+](C[C@@H]1C[NH2+]CCO1)C1CCN(S(C)(=O)=O)CC1 ZINC000311360052 544529284 /nfs/dbraw/zinc/52/92/84/544529284.db2.gz BBJWYZKOWZVQCS-LBPRGKRZSA-N 2 2 291.417 -0.669 20 0 CBADLP C[N@@H+](C[C@@H]1C[NH2+]CCO1)C1CCN(S(C)(=O)=O)CC1 ZINC000311360052 544529289 /nfs/dbraw/zinc/52/92/89/544529289.db2.gz BBJWYZKOWZVQCS-LBPRGKRZSA-N 2 2 291.417 -0.669 20 0 CBADLP Cn1c[nH+]cc1CCC[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000315148911 544530604 /nfs/dbraw/zinc/53/06/04/544530604.db2.gz XBHBYGQIJSSMPF-UHFFFAOYSA-N 3 2 279.388 -0.284 20 0 CBADLP Cn1c[nH+]cc1CCC[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000315148911 544530611 /nfs/dbraw/zinc/53/06/11/544530611.db2.gz XBHBYGQIJSSMPF-UHFFFAOYSA-N 3 2 279.388 -0.284 20 0 CBADLP C[NH2+]CCCC(=O)N1CC[NH+](CC(=O)N(C)C)CC1 ZINC000037800593 419413728 /nfs/dbraw/zinc/41/37/28/419413728.db2.gz UTRSXQGMQYBVKU-UHFFFAOYSA-N 2 2 270.377 -0.782 20 0 CBADLP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC000037819277 419414677 /nfs/dbraw/zinc/41/46/77/419414677.db2.gz ZNORKQQZFVCOEN-JSGCOSHPSA-N 2 2 298.431 -0.018 20 0 CBADLP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC000037819277 419414686 /nfs/dbraw/zinc/41/46/86/419414686.db2.gz ZNORKQQZFVCOEN-JSGCOSHPSA-N 2 2 298.431 -0.018 20 0 CBADLP COCC[N@H+](C)C[C@H](O)CN1CCn2c[nH+]cc2C1 ZINC000660583917 419415198 /nfs/dbraw/zinc/41/51/98/419415198.db2.gz OHAQWGDDUKCZQP-ZDUSSCGKSA-N 2 2 268.361 -0.362 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)CN1CCn2c[nH+]cc2C1 ZINC000660583917 419415203 /nfs/dbraw/zinc/41/52/03/419415203.db2.gz OHAQWGDDUKCZQP-ZDUSSCGKSA-N 2 2 268.361 -0.362 20 0 CBADLP CC(C)C[NH+]1CCN(C(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000088371032 419475705 /nfs/dbraw/zinc/47/57/05/419475705.db2.gz MBXGMGUNKWRMPP-LBPRGKRZSA-N 2 2 255.362 -0.225 20 0 CBADLP Cc1nc(N2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)nc(N)[nH+]1 ZINC000631314828 419481308 /nfs/dbraw/zinc/48/13/08/419481308.db2.gz SSGMAKQBJADWFN-IUCAKERBSA-N 2 2 266.349 -0.346 20 0 CBADLP Cc1nc(N2C[C@H](C)[N@H+](CCO)C[C@@H]2C)nc(N)[nH+]1 ZINC000631314828 419481316 /nfs/dbraw/zinc/48/13/16/419481316.db2.gz SSGMAKQBJADWFN-IUCAKERBSA-N 2 2 266.349 -0.346 20 0 CBADLP CN(C)C(=O)C[NH+]1CCN(C(=O)C[C@@H]2CCC[NH2+]2)CC1 ZINC000042168722 419425381 /nfs/dbraw/zinc/42/53/81/419425381.db2.gz IJHFBXFOXXJZSJ-LBPRGKRZSA-N 2 2 282.388 -0.639 20 0 CBADLP [NH3+]C[C@@H]1CCC[N@H+](CC(=O)NC[C@@H]2CCCO2)C1 ZINC000044530105 419430241 /nfs/dbraw/zinc/43/02/41/419430241.db2.gz RPBXNIPOIRQICP-RYUDHWBXSA-N 2 2 255.362 -0.048 20 0 CBADLP [NH3+]C[C@@H]1CCC[N@@H+](CC(=O)NC[C@@H]2CCCO2)C1 ZINC000044530105 419430252 /nfs/dbraw/zinc/43/02/52/419430252.db2.gz RPBXNIPOIRQICP-RYUDHWBXSA-N 2 2 255.362 -0.048 20 0 CBADLP Cc1cc(C[NH2+]CC(=O)N2CC[NH+](C)CC2)on1 ZINC000044991811 419435971 /nfs/dbraw/zinc/43/59/71/419435971.db2.gz CFLFHKFWLVKLHY-UHFFFAOYSA-N 2 2 252.318 -0.153 20 0 CBADLP COC[C@@H](C[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1)OC ZINC000660912968 419459509 /nfs/dbraw/zinc/45/95/09/419459509.db2.gz QAZANPFHPVDCOD-GFCCVEGCSA-N 2 2 273.377 -0.646 20 0 CBADLP COC[C@@H](C[N@H+]1CCN(CC[NH+](C)C)C(=O)C1)OC ZINC000660912968 419459511 /nfs/dbraw/zinc/45/95/11/419459511.db2.gz QAZANPFHPVDCOD-GFCCVEGCSA-N 2 2 273.377 -0.646 20 0 CBADLP CO[C@H](C[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1)[C@@H]1CCOC1 ZINC000660912759 419461105 /nfs/dbraw/zinc/46/11/05/419461105.db2.gz PFDAJVHFLGJIEW-ZIAGYGMSSA-N 2 2 299.415 -0.256 20 0 CBADLP CO[C@H](C[N@H+]1CCN(CC[NH+](C)C)C(=O)C1)[C@@H]1CCOC1 ZINC000660912759 419461115 /nfs/dbraw/zinc/46/11/15/419461115.db2.gz PFDAJVHFLGJIEW-ZIAGYGMSSA-N 2 2 299.415 -0.256 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](Cn2ccnn2)C1 ZINC000661143613 419470620 /nfs/dbraw/zinc/47/06/20/419470620.db2.gz UZNUSLSSFHQODT-UONOGXRCSA-N 2 2 297.403 -0.461 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](Cn2ccnn2)C1 ZINC000661143613 419470625 /nfs/dbraw/zinc/47/06/25/419470625.db2.gz UZNUSLSSFHQODT-UONOGXRCSA-N 2 2 297.403 -0.461 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000661143613 419470633 /nfs/dbraw/zinc/47/06/33/419470633.db2.gz UZNUSLSSFHQODT-UONOGXRCSA-N 2 2 297.403 -0.461 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000661143613 419470639 /nfs/dbraw/zinc/47/06/39/419470639.db2.gz UZNUSLSSFHQODT-UONOGXRCSA-N 2 2 297.403 -0.461 20 0 CBADLP Cc1nc(N[C@H](C)[C@@H]2C[N@H+](C)CCO2)nc(N)[nH+]1 ZINC000631170660 419475367 /nfs/dbraw/zinc/47/53/67/419475367.db2.gz BRDMIUWKGNCNGG-APPZFPTMSA-N 2 2 252.322 -0.685 20 0 CBADLP Cc1nc(N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)nc(N)[nH+]1 ZINC000631170660 419475373 /nfs/dbraw/zinc/47/53/73/419475373.db2.gz BRDMIUWKGNCNGG-APPZFPTMSA-N 2 2 252.322 -0.685 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2C[C@H]3COC[C@]3(C)C2)CC1 ZINC000661702540 419521337 /nfs/dbraw/zinc/52/13/37/419521337.db2.gz QIKBNGXVIWWVTQ-JSGCOSHPSA-N 2 2 267.373 -0.271 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2C[C@H]3COC[C@]3(C)C2)CC1 ZINC000661702540 419521341 /nfs/dbraw/zinc/52/13/41/419521341.db2.gz QIKBNGXVIWWVTQ-JSGCOSHPSA-N 2 2 267.373 -0.271 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC(=O)N(C)CC1 ZINC000661805038 419524922 /nfs/dbraw/zinc/52/49/22/419524922.db2.gz BEMIUWQLHQESSV-GFCCVEGCSA-N 2 2 273.377 -0.910 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(=O)N(C)CC1 ZINC000661805038 419524925 /nfs/dbraw/zinc/52/49/25/419524925.db2.gz BEMIUWQLHQESSV-GFCCVEGCSA-N 2 2 273.377 -0.910 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC(=O)N(C)CC1 ZINC000661805038 419524932 /nfs/dbraw/zinc/52/49/32/419524932.db2.gz BEMIUWQLHQESSV-GFCCVEGCSA-N 2 2 273.377 -0.910 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC(=O)N(C)CC1 ZINC000661805038 419524939 /nfs/dbraw/zinc/52/49/39/419524939.db2.gz BEMIUWQLHQESSV-GFCCVEGCSA-N 2 2 273.377 -0.910 20 0 CBADLP CC(=O)N1CC(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000188547686 419525820 /nfs/dbraw/zinc/52/58/20/419525820.db2.gz ZVGSNBRNFZSWRC-UHFFFAOYSA-N 2 2 296.415 -0.393 20 0 CBADLP C[C@@H](O)[C@H]1CCC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000661774143 419526635 /nfs/dbraw/zinc/52/66/35/419526635.db2.gz MDLRVEBUTDWYFV-VXGBXAGGSA-N 2 2 255.362 -0.394 20 0 CBADLP C[C@@H](O)[C@H]1CCC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000661774143 419526643 /nfs/dbraw/zinc/52/66/43/419526643.db2.gz MDLRVEBUTDWYFV-VXGBXAGGSA-N 2 2 255.362 -0.394 20 0 CBADLP C([C@@H]1CCC[N@@H+]1C[C@H]1C[NH2+]CCO1)N1CCOCC1 ZINC000662261454 419567632 /nfs/dbraw/zinc/56/76/32/419567632.db2.gz YYOYBGQCNSDNPZ-UONOGXRCSA-N 2 2 269.389 -0.229 20 0 CBADLP C([C@@H]1CCC[N@H+]1C[C@H]1C[NH2+]CCO1)N1CCOCC1 ZINC000662261454 419567639 /nfs/dbraw/zinc/56/76/39/419567639.db2.gz YYOYBGQCNSDNPZ-UONOGXRCSA-N 2 2 269.389 -0.229 20 0 CBADLP C([C@@H]1CCCN1C[C@H]1C[NH2+]CCO1)[NH+]1CCOCC1 ZINC000662261454 419567645 /nfs/dbraw/zinc/56/76/45/419567645.db2.gz YYOYBGQCNSDNPZ-UONOGXRCSA-N 2 2 269.389 -0.229 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2C[C@H](O)C23CCC3)CC1 ZINC000661844193 419529717 /nfs/dbraw/zinc/52/97/17/419529717.db2.gz VACXCZQYOGJDFA-NEPJUHHUSA-N 2 2 267.373 -0.347 20 0 CBADLP CN(C)c1nc(N)nc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)n1 ZINC000386917459 544575647 /nfs/dbraw/zinc/57/56/47/544575647.db2.gz IGTQTEZILQISIE-HZMBPMFUSA-N 2 2 291.403 -0.089 20 0 CBADLP CN(C)c1nc(N)nc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)n1 ZINC000386917459 544575651 /nfs/dbraw/zinc/57/56/51/544575651.db2.gz IGTQTEZILQISIE-HZMBPMFUSA-N 2 2 291.403 -0.089 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H]3COC[C@@H]3C2)CC1 ZINC000662034085 419540822 /nfs/dbraw/zinc/54/08/22/419540822.db2.gz AWAWWUBMNQVUSK-STQMWFEESA-N 2 2 267.373 -0.271 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H]3COC[C@@H]3C2)CC1 ZINC000662034085 419540828 /nfs/dbraw/zinc/54/08/28/419540828.db2.gz AWAWWUBMNQVUSK-STQMWFEESA-N 2 2 267.373 -0.271 20 0 CBADLP CC[C@H](C(N)=O)[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662154284 419550608 /nfs/dbraw/zinc/55/06/08/419550608.db2.gz GPAAKERZMQLRQH-NWDGAFQWSA-N 2 2 255.362 -0.219 20 0 CBADLP CC[C@H](C(N)=O)[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662154284 419550613 /nfs/dbraw/zinc/55/06/13/419550613.db2.gz GPAAKERZMQLRQH-NWDGAFQWSA-N 2 2 255.362 -0.219 20 0 CBADLP CN1CC[C@@H]([NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)C1=O ZINC000662158343 419554313 /nfs/dbraw/zinc/55/43/13/419554313.db2.gz RJGNEJUXQXRQFZ-QWHCGFSZSA-N 2 2 267.373 -0.252 20 0 CBADLP CN1CC[C@@H]([NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)C1=O ZINC000662158343 419554321 /nfs/dbraw/zinc/55/43/21/419554321.db2.gz RJGNEJUXQXRQFZ-QWHCGFSZSA-N 2 2 267.373 -0.252 20 0 CBADLP Cc1nc(NC[C@@]2(CO)COCC[NH2+]2)c(C)c(C)[nH+]1 ZINC000641689602 419556648 /nfs/dbraw/zinc/55/66/48/419556648.db2.gz QKUOZOKXEAJBHF-CYBMUJFWSA-N 2 2 266.345 0.165 20 0 CBADLP CC(C)OCCOC[C@H](O)C[N@H+](C)C[C@H]1C[NH2+]CCO1 ZINC000662255033 419561419 /nfs/dbraw/zinc/56/14/19/419561419.db2.gz VVBNCBYQIQIGSZ-ZIAGYGMSSA-N 2 2 290.404 -0.291 20 0 CBADLP CC(C)OCCOC[C@H](O)C[N@@H+](C)C[C@H]1C[NH2+]CCO1 ZINC000662255033 419561421 /nfs/dbraw/zinc/56/14/21/419561421.db2.gz VVBNCBYQIQIGSZ-ZIAGYGMSSA-N 2 2 290.404 -0.291 20 0 CBADLP NC(=O)CC[C@@H]1CCC[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662253756 419562279 /nfs/dbraw/zinc/56/22/79/419562279.db2.gz KJHONCCOXZTKKA-NWDGAFQWSA-N 2 2 255.362 -0.048 20 0 CBADLP NC(=O)CC[C@@H]1CCC[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662253756 419562286 /nfs/dbraw/zinc/56/22/86/419562286.db2.gz KJHONCCOXZTKKA-NWDGAFQWSA-N 2 2 255.362 -0.048 20 0 CBADLP C[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)[C@H]1CCS(=O)(=O)C1 ZINC000662249211 419563170 /nfs/dbraw/zinc/56/31/70/419563170.db2.gz JPEZFFISRIXFIA-WDEREUQCSA-N 2 2 274.386 -0.374 20 0 CBADLP C[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)[C@H]1CCS(=O)(=O)C1 ZINC000662249211 419563176 /nfs/dbraw/zinc/56/31/76/419563176.db2.gz JPEZFFISRIXFIA-WDEREUQCSA-N 2 2 274.386 -0.374 20 0 CBADLP O=C1NCCN1[C@@H]1CCC[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662254938 419563358 /nfs/dbraw/zinc/56/33/58/419563358.db2.gz VARLNJSMFMNEPV-VXGBXAGGSA-N 2 2 268.361 -0.536 20 0 CBADLP O=C1NCCN1[C@@H]1CCC[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662254938 419563361 /nfs/dbraw/zinc/56/33/61/419563361.db2.gz VARLNJSMFMNEPV-VXGBXAGGSA-N 2 2 268.361 -0.536 20 0 CBADLP O=C(NC1CC1)[C@H]1CCC[N@@H+]1C[C@H]1C[NH2+]CCO1 ZINC000662251315 419564243 /nfs/dbraw/zinc/56/42/43/419564243.db2.gz CNOQLPQUQZFNHV-VXGBXAGGSA-N 2 2 253.346 -0.282 20 0 CBADLP O=C(NC1CC1)[C@H]1CCC[N@H+]1C[C@H]1C[NH2+]CCO1 ZINC000662251315 419564252 /nfs/dbraw/zinc/56/42/52/419564252.db2.gz CNOQLPQUQZFNHV-VXGBXAGGSA-N 2 2 253.346 -0.282 20 0 CBADLP CC(=O)N1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662249437 419564399 /nfs/dbraw/zinc/56/43/99/419564399.db2.gz NPYBSGBRQVUFOV-LBPRGKRZSA-N 2 2 253.346 -0.329 20 0 CBADLP COCCN1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662260408 419566716 /nfs/dbraw/zinc/56/67/16/419566716.db2.gz KYNYIVDXZUWZOB-CYBMUJFWSA-N 2 2 269.389 -0.229 20 0 CBADLP CC[C@H]([NH3+])C(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000178861606 419505474 /nfs/dbraw/zinc/50/54/74/419505474.db2.gz NEOLJARFYVPMQY-GRYCIOLGSA-N 2 2 255.362 -0.097 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)CC1 ZINC000661610103 419508533 /nfs/dbraw/zinc/50/85/33/419508533.db2.gz QQXGIFKPXFCBNR-OLZOCXBDSA-N 2 2 294.399 -0.639 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)CC1 ZINC000661610103 419508536 /nfs/dbraw/zinc/50/85/36/419508536.db2.gz QQXGIFKPXFCBNR-OLZOCXBDSA-N 2 2 294.399 -0.639 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)C[C@H]2COCCO2)CC1 ZINC000661607800 419508994 /nfs/dbraw/zinc/50/89/94/419508994.db2.gz SFFUPPYFVBBRRM-KGLIPLIRSA-N 2 2 299.415 -0.114 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)C[C@H]2COCCO2)CC1 ZINC000661607800 419509000 /nfs/dbraw/zinc/50/90/00/419509000.db2.gz SFFUPPYFVBBRRM-KGLIPLIRSA-N 2 2 299.415 -0.114 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)C[C@@H]2COCCO2)CC1 ZINC000661607801 419509563 /nfs/dbraw/zinc/50/95/63/419509563.db2.gz SFFUPPYFVBBRRM-UONOGXRCSA-N 2 2 299.415 -0.114 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)C[C@@H]2COCCO2)CC1 ZINC000661607801 419509572 /nfs/dbraw/zinc/50/95/72/419509572.db2.gz SFFUPPYFVBBRRM-UONOGXRCSA-N 2 2 299.415 -0.114 20 0 CBADLP CNC(=O)[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)C(C)C ZINC000183641299 419513001 /nfs/dbraw/zinc/51/30/01/419513001.db2.gz ORWHBXJODOQKON-LBPRGKRZSA-N 2 2 270.377 -0.879 20 0 CBADLP CCN(CC)C(=O)C[NH+]1CCN(C[C@H]2C[NH2+]CCO2)CC1 ZINC000662261217 419567258 /nfs/dbraw/zinc/56/72/58/419567258.db2.gz UZWPCWQVQPNMDQ-CQSZACIVSA-N 2 2 298.431 -0.539 20 0 CBADLP CC(C)[C@@H](CNC(=O)C1([NH3+])CC1)[NH+]1CCOCC1 ZINC000236678067 419570756 /nfs/dbraw/zinc/57/07/56/419570756.db2.gz NIKGJXZHAJSKBL-LLVKDONJSA-N 2 2 255.362 -0.049 20 0 CBADLP CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662285284 419571966 /nfs/dbraw/zinc/57/19/66/419571966.db2.gz ITBJDNQMNWFFPH-MWLCHTKSSA-N 2 2 295.305 -0.025 20 0 CBADLP CC[C@@H](C)NC(=O)C[NH+]1CCN(C[C@H]2C[NH2+]CCO2)CC1 ZINC000662276640 419573716 /nfs/dbraw/zinc/57/37/16/419573716.db2.gz KRDBXFJEDPJFCF-ZIAGYGMSSA-N 2 2 298.431 -0.493 20 0 CBADLP CC[C@@H](C)[C@H]([NH3+])C(=O)NCC[NH+]1CCN(C(C)=O)CC1 ZINC000236926024 419574325 /nfs/dbraw/zinc/57/43/25/419574325.db2.gz ODMSEUXCSKSCFC-YPMHNXCESA-N 2 2 284.404 -0.360 20 0 CBADLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccc(S(N)(=O)=O)cc1 ZINC000662282219 419574573 /nfs/dbraw/zinc/57/45/73/419574573.db2.gz NWWVIPPKWILHPU-CMPLNLGQSA-N 2 2 299.396 -0.027 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@@H]([NH3+])C(C)(C)C)CC1 ZINC000236817131 419574610 /nfs/dbraw/zinc/57/46/10/419574610.db2.gz VRZYPUDHPJILKI-GFCCVEGCSA-N 2 2 284.404 -0.360 20 0 CBADLP CC(C)[C@@H](C)NC(=O)C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000662286245 419576976 /nfs/dbraw/zinc/57/69/76/419576976.db2.gz OJVNMZQFYTZLFP-LLVKDONJSA-N 2 2 257.378 -0.149 20 0 CBADLP [NH3+]CC[N@H+](CCC(=O)Nc1ccccc1F)C[C@H](O)CO ZINC000662288505 419577448 /nfs/dbraw/zinc/57/74/48/419577448.db2.gz INLVLUIBCJUIFZ-NSHDSACASA-N 2 2 299.346 -0.232 20 0 CBADLP [NH3+]CC[N@@H+](CCC(=O)Nc1ccccc1F)C[C@H](O)CO ZINC000662288505 419577455 /nfs/dbraw/zinc/57/74/55/419577455.db2.gz INLVLUIBCJUIFZ-NSHDSACASA-N 2 2 299.346 -0.232 20 0 CBADLP [NH3+]CC[N@H+](CCc1ccc2c(c1)CCO2)C[C@H](O)CO ZINC000662288456 419577528 /nfs/dbraw/zinc/57/75/28/419577528.db2.gz HMYFUPWSCVBSRX-AWEZNQCLSA-N 2 2 280.368 -0.222 20 0 CBADLP [NH3+]CC[N@@H+](CCc1ccc2c(c1)CCO2)C[C@H](O)CO ZINC000662288456 419577533 /nfs/dbraw/zinc/57/75/33/419577533.db2.gz HMYFUPWSCVBSRX-AWEZNQCLSA-N 2 2 280.368 -0.222 20 0 CBADLP CC(C)([NH3+])CC(=O)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000394383100 544581168 /nfs/dbraw/zinc/58/11/68/544581168.db2.gz VYMSFNSODJDOQY-NSHDSACASA-N 2 2 254.378 -0.380 20 0 CBADLP CC(C)([NH3+])CC(=O)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000394383100 544581171 /nfs/dbraw/zinc/58/11/71/544581171.db2.gz VYMSFNSODJDOQY-NSHDSACASA-N 2 2 254.378 -0.380 20 0 CBADLP O=C(C[C@H]1CSCC[NH2+]1)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000394381428 544581217 /nfs/dbraw/zinc/58/12/17/544581217.db2.gz RTENYEQVCAVWAB-QWHCGFSZSA-N 2 2 298.456 -0.412 20 0 CBADLP O=C(C[C@H]1CSCC[NH2+]1)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000394381428 544581221 /nfs/dbraw/zinc/58/12/21/544581221.db2.gz RTENYEQVCAVWAB-QWHCGFSZSA-N 2 2 298.456 -0.412 20 0 CBADLP C([C@H]1C[NH2+]CCO1)[N@@H+]1CCOC2(CCOCC2)C1 ZINC000662286186 419578830 /nfs/dbraw/zinc/57/88/30/419578830.db2.gz PKZKDUPHVJCGTB-GFCCVEGCSA-N 2 2 256.346 -0.144 20 0 CBADLP C([C@H]1C[NH2+]CCO1)[N@H+]1CCOC2(CCOCC2)C1 ZINC000662286186 419578837 /nfs/dbraw/zinc/57/88/37/419578837.db2.gz PKZKDUPHVJCGTB-GFCCVEGCSA-N 2 2 256.346 -0.144 20 0 CBADLP Cn1c(C[N@H+](C)CC(C)(C)[NH3+])cc(=O)n(C)c1=O ZINC000662296932 419580165 /nfs/dbraw/zinc/58/01/65/419580165.db2.gz FZGNVMYQKAHUAX-UHFFFAOYSA-N 2 2 254.334 -0.747 20 0 CBADLP Cn1c(C[N@@H+](C)CC(C)(C)[NH3+])cc(=O)n(C)c1=O ZINC000662296932 419580171 /nfs/dbraw/zinc/58/01/71/419580171.db2.gz FZGNVMYQKAHUAX-UHFFFAOYSA-N 2 2 254.334 -0.747 20 0 CBADLP C[C@H](CNC(=O)C[NH2+]C[C@@H]1CCCO1)[NH+]1CCOCC1 ZINC000237406787 419581131 /nfs/dbraw/zinc/58/11/31/419581131.db2.gz XMKKSMNWLUPXIX-OLZOCXBDSA-N 2 2 285.388 -0.408 20 0 CBADLP C[C@@H](CC[NH+]1CCOCC1)NC(=O)[C@@H]1COCC[NH2+]1 ZINC000237554246 419581404 /nfs/dbraw/zinc/58/14/04/419581404.db2.gz ZZDDACXHKXKABU-RYUDHWBXSA-N 2 2 271.361 -0.798 20 0 CBADLP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)CC(C)(C)[NH3+] ZINC000662295333 419581944 /nfs/dbraw/zinc/58/19/44/419581944.db2.gz QFVWTZGWTBTXMP-UHFFFAOYSA-N 3 2 256.394 -0.180 20 0 CBADLP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)CC(C)(C)[NH3+] ZINC000662295333 419581949 /nfs/dbraw/zinc/58/19/49/419581949.db2.gz QFVWTZGWTBTXMP-UHFFFAOYSA-N 3 2 256.394 -0.180 20 0 CBADLP C[C@@H](NC(=O)[C@H]1CSC[NH2+]1)[C@H](C)[NH+]1CCOCC1 ZINC000237444534 419583885 /nfs/dbraw/zinc/58/38/85/419583885.db2.gz JMWFWENXBFOGLJ-OUAUKWLOSA-N 2 2 273.402 -0.126 20 0 CBADLP [NH3+]C1(CC(=O)NC[C@H]2CN3CC[N@@H+]2CCC3)CCC1 ZINC000394386890 544582036 /nfs/dbraw/zinc/58/20/36/544582036.db2.gz BHEWQNFAAIERFY-LBPRGKRZSA-N 2 2 266.389 -0.236 20 0 CBADLP [NH3+]C1(CC(=O)NC[C@H]2CN3CC[N@H+]2CCC3)CCC1 ZINC000394386890 544582040 /nfs/dbraw/zinc/58/20/40/544582040.db2.gz BHEWQNFAAIERFY-LBPRGKRZSA-N 2 2 266.389 -0.236 20 0 CBADLP C[NH+](C)CCC[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)CCO1 ZINC000662321550 419585669 /nfs/dbraw/zinc/58/56/69/419585669.db2.gz RZYAXTCHTQDHEF-VXGBXAGGSA-N 2 2 255.362 -0.083 20 0 CBADLP C[NH+](C)CCC[C@@H]1C[N@H+]([C@@H]2CCNC2=O)CCO1 ZINC000662321550 419585680 /nfs/dbraw/zinc/58/56/80/419585680.db2.gz RZYAXTCHTQDHEF-VXGBXAGGSA-N 2 2 255.362 -0.083 20 0 CBADLP C[NH+]1CCN(C(=O)CCN2CC[C@@H](F)[C@H]([NH3+])C2)CC1 ZINC000662325277 419585712 /nfs/dbraw/zinc/58/57/12/419585712.db2.gz DNYBIBPLQIYRRE-VXGBXAGGSA-N 2 2 272.368 -0.478 20 0 CBADLP CN(C)c1ccc(CNC(=O)c2cn(CC[NH3+])nn2)c[nH+]1 ZINC000662380262 419589378 /nfs/dbraw/zinc/58/93/78/419589378.db2.gz IJMWEAAMEZXVPV-UHFFFAOYSA-N 2 2 289.343 -0.372 20 0 CBADLP [NH3+]C1(CNC(=O)CN2CC[NH2+]CC2=O)CCCCC1 ZINC000237825182 419589544 /nfs/dbraw/zinc/58/95/44/419589544.db2.gz BTCQRJZJZBTIPF-UHFFFAOYSA-N 2 2 268.361 -0.804 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2COC(C)(C)C2)CC1 ZINC000396559940 544582827 /nfs/dbraw/zinc/58/28/27/544582827.db2.gz WERDLXCOBDKRAU-NSHDSACASA-N 2 2 255.362 -0.083 20 0 CBADLP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@H]([NH3+])C2)C1 ZINC000647482261 419592687 /nfs/dbraw/zinc/59/26/87/419592687.db2.gz RFXWWTOYCUAWOB-RYUDHWBXSA-N 3 2 254.378 -0.393 20 0 CBADLP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@H]([NH3+])C2)C1 ZINC000647482261 419592695 /nfs/dbraw/zinc/59/26/95/419592695.db2.gz RFXWWTOYCUAWOB-RYUDHWBXSA-N 3 2 254.378 -0.393 20 0 CBADLP C[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C[C@H]1n1cc[nH+]c1 ZINC000246809277 419592774 /nfs/dbraw/zinc/59/27/74/419592774.db2.gz AAEXLIZWSTUHPR-NXEZZACHSA-N 2 2 265.317 -0.039 20 0 CBADLP C[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C[C@H]1n1cc[nH+]c1 ZINC000246809277 419592782 /nfs/dbraw/zinc/59/27/82/419592782.db2.gz AAEXLIZWSTUHPR-NXEZZACHSA-N 2 2 265.317 -0.039 20 0 CBADLP CS(=O)(=O)N[C@H]1CCC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000647513802 419599494 /nfs/dbraw/zinc/59/94/94/419599494.db2.gz GBZYBVQPBKVGBW-NEPJUHHUSA-N 2 2 275.418 0.000 20 0 CBADLP CS(=O)(=O)N[C@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000647513802 419599506 /nfs/dbraw/zinc/59/95/06/419599506.db2.gz GBZYBVQPBKVGBW-NEPJUHHUSA-N 2 2 275.418 0.000 20 0 CBADLP Cn1cc(C[N@@H+]2CC[C@@H]3CC[NH2+][C@H]3C2)c(=O)n(C)c1=O ZINC000647533041 419601819 /nfs/dbraw/zinc/60/18/19/419601819.db2.gz KFJHUQXSSZGFDK-JQWIXIFHSA-N 2 2 278.356 -0.732 20 0 CBADLP Cn1cc(C[N@H+]2CC[C@@H]3CC[NH2+][C@H]3C2)c(=O)n(C)c1=O ZINC000647533041 419601823 /nfs/dbraw/zinc/60/18/23/419601823.db2.gz KFJHUQXSSZGFDK-JQWIXIFHSA-N 2 2 278.356 -0.732 20 0 CBADLP Cc1cc(CC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])on1 ZINC000662428627 419603136 /nfs/dbraw/zinc/60/31/36/419603136.db2.gz LDZARLYHSCEBQU-SNVBAGLBSA-N 2 2 252.318 -0.373 20 0 CBADLP Cc1cc(CC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])on1 ZINC000662428627 419603143 /nfs/dbraw/zinc/60/31/43/419603143.db2.gz LDZARLYHSCEBQU-SNVBAGLBSA-N 2 2 252.318 -0.373 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@](CO)(OC)C1 ZINC000401813914 544585666 /nfs/dbraw/zinc/58/56/66/544585666.db2.gz WESZBTBGXFYXEF-STQMWFEESA-N 2 2 260.378 -0.228 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@](CO)(OC)C1 ZINC000401813914 544585669 /nfs/dbraw/zinc/58/56/69/544585669.db2.gz WESZBTBGXFYXEF-STQMWFEESA-N 2 2 260.378 -0.228 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@](CO)(OC)C1 ZINC000401813914 544585675 /nfs/dbraw/zinc/58/56/75/544585675.db2.gz WESZBTBGXFYXEF-STQMWFEESA-N 2 2 260.378 -0.228 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@](CO)(OC)C1 ZINC000401813914 544585681 /nfs/dbraw/zinc/58/56/81/544585681.db2.gz WESZBTBGXFYXEF-STQMWFEESA-N 2 2 260.378 -0.228 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(C)(O)CC1 ZINC000310934679 419620930 /nfs/dbraw/zinc/62/09/30/419620930.db2.gz VIBRZJGJAGLHKH-LBPRGKRZSA-N 2 2 260.378 -0.228 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC(C)(O)CC1 ZINC000310934679 419620942 /nfs/dbraw/zinc/62/09/42/419620942.db2.gz VIBRZJGJAGLHKH-LBPRGKRZSA-N 2 2 260.378 -0.228 20 0 CBADLP COCCCS(=O)(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000321223897 419629180 /nfs/dbraw/zinc/62/91/80/419629180.db2.gz SYSNPSJDUMWPRB-UHFFFAOYSA-N 2 2 279.406 -0.635 20 0 CBADLP COC[C@]1(C(=O)NCC[N@@H+]2C[C@H](C)OC[C@H]2C)CC[NH2+]C1 ZINC000662635574 419662908 /nfs/dbraw/zinc/66/29/08/419662908.db2.gz WRSCXSGPPURMRM-IPYPFGDCSA-N 2 2 299.415 -0.162 20 0 CBADLP COC[C@]1(C(=O)NCC[N@H+]2C[C@H](C)OC[C@H]2C)CC[NH2+]C1 ZINC000662635574 419662913 /nfs/dbraw/zinc/66/29/13/419662913.db2.gz WRSCXSGPPURMRM-IPYPFGDCSA-N 2 2 299.415 -0.162 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCCO[C@@H]1CC1(F)F ZINC000662644786 419665107 /nfs/dbraw/zinc/66/51/07/419665107.db2.gz DGSPOIACZPDGBI-RKDXNWHRSA-N 2 2 265.304 -0.194 20 0 CBADLP C[C@@H](c1nnnn1C)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647836200 419668738 /nfs/dbraw/zinc/66/87/38/419668738.db2.gz NKTJGAFFHQWBTI-JTQLQIEISA-N 2 2 253.354 -0.892 20 0 CBADLP C[C@@H](c1nnnn1C)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647836200 419668749 /nfs/dbraw/zinc/66/87/49/419668749.db2.gz NKTJGAFFHQWBTI-JTQLQIEISA-N 2 2 253.354 -0.892 20 0 CBADLP C[C@H](C(=O)N1CC[NH2+]CC1(C)C)[NH+]1CCN(C)CC1 ZINC000647841276 419669079 /nfs/dbraw/zinc/66/90/79/419669079.db2.gz FVOKFIIWRCNILD-GFCCVEGCSA-N 2 2 268.405 -0.167 20 0 CBADLP CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+](C)CCC[NH3+])C1 ZINC000647848444 419670485 /nfs/dbraw/zinc/67/04/85/419670485.db2.gz RMGVPDSRXOPWCJ-GFCCVEGCSA-N 2 2 270.377 -0.606 20 0 CBADLP CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+](C)CCC[NH3+])C1 ZINC000647848444 419670493 /nfs/dbraw/zinc/67/04/93/419670493.db2.gz RMGVPDSRXOPWCJ-GFCCVEGCSA-N 2 2 270.377 -0.606 20 0 CBADLP [NH3+][C@@H](CC(F)F)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000662656994 419670664 /nfs/dbraw/zinc/67/06/64/419670664.db2.gz VXAGMOFXVKHHIH-UWVGGRQHSA-N 2 2 277.315 -0.098 20 0 CBADLP Cn1ncc2c1nc(NC[C@H]1CCC[NH2+]C1)[nH+]c2N ZINC000333889517 419673395 /nfs/dbraw/zinc/67/33/95/419673395.db2.gz GOMRKAIAKWEIAK-QMMMGPOBSA-N 2 2 261.333 0.357 20 0 CBADLP CN1CC[N@H+](C)C[C@@H]1CNc1nc[nH+]c2c1OCCN2 ZINC000647868205 419676471 /nfs/dbraw/zinc/67/64/71/419676471.db2.gz KXSGNAWSZFNZSS-JTQLQIEISA-N 2 2 278.360 -0.061 20 0 CBADLP CN1CC[N@@H+](C)C[C@@H]1CNc1nc[nH+]c2c1OCCN2 ZINC000647868205 419676479 /nfs/dbraw/zinc/67/64/79/419676479.db2.gz KXSGNAWSZFNZSS-JTQLQIEISA-N 2 2 278.360 -0.061 20 0 CBADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647909271 419688429 /nfs/dbraw/zinc/68/84/29/419688429.db2.gz MSEAHOREGKXGQQ-STQMWFEESA-N 3 2 266.389 -0.508 20 0 CBADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647909271 419688434 /nfs/dbraw/zinc/68/84/34/419688434.db2.gz MSEAHOREGKXGQQ-STQMWFEESA-N 3 2 266.389 -0.508 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]2CCO[C@H]2C[NH3+])CCO1 ZINC000662701190 419688403 /nfs/dbraw/zinc/68/84/03/419688403.db2.gz MRMJRXVPGGMJGH-WOPDTQHZSA-N 2 2 271.361 -0.813 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2CCO[C@H]2C[NH3+])CCO1 ZINC000662701190 419688408 /nfs/dbraw/zinc/68/84/08/419688408.db2.gz MRMJRXVPGGMJGH-WOPDTQHZSA-N 2 2 271.361 -0.813 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCc3nc[nH]c3C2)CC1 ZINC000647934029 419693036 /nfs/dbraw/zinc/69/30/36/419693036.db2.gz YHZNVUNYDRQQBW-UHFFFAOYSA-N 2 2 277.372 -0.068 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCc3nc[nH]c3C2)CC1 ZINC000647934029 419693046 /nfs/dbraw/zinc/69/30/46/419693046.db2.gz YHZNVUNYDRQQBW-UHFFFAOYSA-N 2 2 277.372 -0.068 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000647934029 419693055 /nfs/dbraw/zinc/69/30/55/419693055.db2.gz YHZNVUNYDRQQBW-UHFFFAOYSA-N 3 2 277.372 -0.068 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000647934029 419693066 /nfs/dbraw/zinc/69/30/66/419693066.db2.gz YHZNVUNYDRQQBW-UHFFFAOYSA-N 3 2 277.372 -0.068 20 0 CBADLP [NH3+][C@H]1C[C@H](C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000662718981 419697248 /nfs/dbraw/zinc/69/72/48/419697248.db2.gz SWCJCFJACXGHEL-HAQNSBGRSA-N 2 2 293.371 -0.109 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCc2cn[nH]n2)CC1 ZINC000647966724 419697593 /nfs/dbraw/zinc/69/75/93/419697593.db2.gz HFTICGRFYLTIOZ-CYBMUJFWSA-N 2 2 292.387 -0.414 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCc2cn[nH]n2)CC1 ZINC000647966724 419697603 /nfs/dbraw/zinc/69/76/03/419697603.db2.gz HFTICGRFYLTIOZ-CYBMUJFWSA-N 2 2 292.387 -0.414 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCc2cn[nH]n2)CC1 ZINC000647966726 419699284 /nfs/dbraw/zinc/69/92/84/419699284.db2.gz HFTICGRFYLTIOZ-ZDUSSCGKSA-N 2 2 292.387 -0.414 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCc2cn[nH]n2)CC1 ZINC000647966726 419699293 /nfs/dbraw/zinc/69/92/93/419699293.db2.gz HFTICGRFYLTIOZ-ZDUSSCGKSA-N 2 2 292.387 -0.414 20 0 CBADLP C[C@H]([C@H](C)NC(=O)[C@H]1C[C@H]([NH3+])C1)[NH+]1CCOCC1 ZINC000662721298 419701767 /nfs/dbraw/zinc/70/17/67/419701767.db2.gz TUILYMIJDZVVAY-USZNOCQGSA-N 2 2 255.362 -0.051 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000647973984 419703236 /nfs/dbraw/zinc/70/32/36/419703236.db2.gz OCYIPJRHQQXLPS-ZIAGYGMSSA-N 3 2 280.416 -0.166 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000647973984 419703242 /nfs/dbraw/zinc/70/32/42/419703242.db2.gz OCYIPJRHQQXLPS-ZIAGYGMSSA-N 3 2 280.416 -0.166 20 0 CBADLP Cc1cccn2cc(CNC(=O)C3(O)C[NH2+]C3)[nH+]c12 ZINC000662727621 419704545 /nfs/dbraw/zinc/70/45/45/419704545.db2.gz UEZUEMWCVGZBIH-UHFFFAOYSA-N 2 2 260.297 -0.407 20 0 CBADLP Cn1cc[nH+]c1CNC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000647995578 419708259 /nfs/dbraw/zinc/70/82/59/419708259.db2.gz LMXXWOSKYKKXBF-UWVGGRQHSA-N 2 2 267.333 -0.764 20 0 CBADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662759230 419710565 /nfs/dbraw/zinc/71/05/65/419710565.db2.gz UPVOLVWODPVTLS-IJLUTSLNSA-N 2 2 254.378 -0.524 20 0 CBADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C2(O)C[NH2+]C2)CC1 ZINC000662755186 419712440 /nfs/dbraw/zinc/71/24/40/419712440.db2.gz CIIGMKIDYKRICO-LBPRGKRZSA-N 2 2 290.367 -0.379 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000647807209 419656394 /nfs/dbraw/zinc/65/63/94/419656394.db2.gz RYTSEWSPHKZSNO-AWEZNQCLSA-N 2 2 284.404 -0.314 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000647807209 419656400 /nfs/dbraw/zinc/65/64/00/419656400.db2.gz RYTSEWSPHKZSNO-AWEZNQCLSA-N 2 2 284.404 -0.314 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C[C@@H]1CC[NH2+]C1 ZINC000662633226 419657759 /nfs/dbraw/zinc/65/77/59/419657759.db2.gz YABKFYNIEJLBMI-ZDUSSCGKSA-N 3 2 270.421 -0.014 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C[C@@H]1CC[NH2+]C1 ZINC000662633226 419657767 /nfs/dbraw/zinc/65/77/67/419657767.db2.gz YABKFYNIEJLBMI-ZDUSSCGKSA-N 3 2 270.421 -0.014 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CCC[NH2+]2)[C@@H](C)CO1 ZINC000662631776 419658287 /nfs/dbraw/zinc/65/82/87/419658287.db2.gz VHQBZSVKLDQRHB-TUAOUCFPSA-N 2 2 255.362 -0.036 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2CCC[NH2+]2)[C@@H](C)CO1 ZINC000662631776 419658292 /nfs/dbraw/zinc/65/82/92/419658292.db2.gz VHQBZSVKLDQRHB-TUAOUCFPSA-N 2 2 255.362 -0.036 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)C[C@H]2COCC[NH2+]2)[C@@H](C)CO1 ZINC000662633976 419658794 /nfs/dbraw/zinc/65/87/94/419658794.db2.gz PCKCHSZLQGBPSW-XQQFMLRXSA-N 2 2 285.388 -0.410 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)C[C@H]2COCC[NH2+]2)[C@@H](C)CO1 ZINC000662633976 419658799 /nfs/dbraw/zinc/65/87/99/419658799.db2.gz PCKCHSZLQGBPSW-XQQFMLRXSA-N 2 2 285.388 -0.410 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)COC2CC[NH2+]CC2)[C@@H](C)CO1 ZINC000662632992 419659265 /nfs/dbraw/zinc/65/92/65/419659265.db2.gz IDDMZSPRLBDEMX-QWHCGFSZSA-N 2 2 299.415 -0.020 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)COC2CC[NH2+]CC2)[C@@H](C)CO1 ZINC000662632992 419659274 /nfs/dbraw/zinc/65/92/74/419659274.db2.gz IDDMZSPRLBDEMX-QWHCGFSZSA-N 2 2 299.415 -0.020 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000662634415 419659891 /nfs/dbraw/zinc/65/98/91/419659891.db2.gz RTTJMITUCXNFAN-AWEZNQCLSA-N 3 2 270.421 -0.014 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000662634415 419659896 /nfs/dbraw/zinc/65/98/96/419659896.db2.gz RTTJMITUCXNFAN-AWEZNQCLSA-N 3 2 270.421 -0.014 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C[C@@H]1COCC[NH2+]1 ZINC000662632672 419660048 /nfs/dbraw/zinc/66/00/48/419660048.db2.gz SPCUDDMFWNXCJW-CYBMUJFWSA-N 3 2 286.420 -0.635 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C[C@@H]1COCC[NH2+]1 ZINC000662632672 419660054 /nfs/dbraw/zinc/66/00/54/419660054.db2.gz SPCUDDMFWNXCJW-CYBMUJFWSA-N 3 2 286.420 -0.635 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000662836989 419743065 /nfs/dbraw/zinc/74/30/65/419743065.db2.gz FPYOJRCZZKAHBR-STQMWFEESA-N 2 2 294.399 -0.449 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000662836989 419743070 /nfs/dbraw/zinc/74/30/70/419743070.db2.gz FPYOJRCZZKAHBR-STQMWFEESA-N 2 2 294.399 -0.449 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]2CSC[NH2+]2)[C@@H](C)CO1 ZINC000662859280 419751254 /nfs/dbraw/zinc/75/12/54/419751254.db2.gz MGLNQCQXCQISAQ-HBNTYKKESA-N 2 2 273.402 -0.126 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2CSC[NH2+]2)[C@@H](C)CO1 ZINC000662859280 419751261 /nfs/dbraw/zinc/75/12/61/419751261.db2.gz MGLNQCQXCQISAQ-HBNTYKKESA-N 2 2 273.402 -0.126 20 0 CBADLP COC1(C(=O)NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)CC[NH2+]CC1 ZINC000662858757 419753591 /nfs/dbraw/zinc/75/35/91/419753591.db2.gz HVFBCMRGGICRFX-STQMWFEESA-N 2 2 299.415 -0.020 20 0 CBADLP COC1(C(=O)NCC[N@H+]2C[C@H](C)OC[C@@H]2C)CC[NH2+]CC1 ZINC000662858757 419753601 /nfs/dbraw/zinc/75/36/01/419753601.db2.gz HVFBCMRGGICRFX-STQMWFEESA-N 2 2 299.415 -0.020 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662857783 419753620 /nfs/dbraw/zinc/75/36/20/419753620.db2.gz PFVQAPZRGKPKMY-HAQNSBGRSA-N 3 2 256.394 -0.277 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662857783 419753624 /nfs/dbraw/zinc/75/36/24/419753624.db2.gz PFVQAPZRGKPKMY-HAQNSBGRSA-N 3 2 256.394 -0.277 20 0 CBADLP O=C([C@@H]1C[C@H]2C[C@H]2[NH2+]1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000662870250 419755368 /nfs/dbraw/zinc/75/53/68/419755368.db2.gz ARFUWOUJUCCWSL-XQHKEYJVSA-N 2 2 265.357 -0.330 20 0 CBADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)COC1(C)C[NH2+]C1 ZINC000662860684 419757554 /nfs/dbraw/zinc/75/75/54/419757554.db2.gz UEULEDDLOULOAY-NEPJUHHUSA-N 2 2 285.388 -0.410 20 0 CBADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)COC1(C)C[NH2+]C1 ZINC000662860684 419757558 /nfs/dbraw/zinc/75/75/58/419757558.db2.gz UEULEDDLOULOAY-NEPJUHHUSA-N 2 2 285.388 -0.410 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648152359 419758144 /nfs/dbraw/zinc/75/81/44/419758144.db2.gz SEURARZQSUHWLR-GDNZZTSVSA-N 2 2 253.346 -0.758 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N(C)CC(C)(C)[NH3+])CC1 ZINC000662918226 419774666 /nfs/dbraw/zinc/77/46/66/419774666.db2.gz AKRSPWCWJJESOF-UHFFFAOYSA-N 2 2 270.377 -0.654 20 0 CBADLP C[C@H](NC(=O)[C@]12C[NH2+]C[C@H]1COC2)c1[nH+]ccn1C ZINC000662934583 419784389 /nfs/dbraw/zinc/78/43/89/419784389.db2.gz OPTIPIBOTPGNRZ-KWBADKCTSA-N 2 2 264.329 -0.167 20 0 CBADLP C[C@@H](NC(=O)CCOC1C[NH2+]C1)c1[nH+]ccn1C ZINC000662934548 419785602 /nfs/dbraw/zinc/78/56/02/419785602.db2.gz OLUQXCRYJMVAMJ-SECBINFHSA-N 2 2 252.318 -0.024 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000662787750 419723450 /nfs/dbraw/zinc/72/34/50/419723450.db2.gz CZCSDXGDIWXRCL-VXGBXAGGSA-N 2 2 271.361 -0.859 20 0 CBADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](CC)[NH2+]C)CC1 ZINC000662787276 419724651 /nfs/dbraw/zinc/72/46/51/419724651.db2.gz LDSRAZKOGZHNDV-LBPRGKRZSA-N 2 2 284.404 -0.345 20 0 CBADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](CC)[NH2+]C)CC1 ZINC000662787276 419724658 /nfs/dbraw/zinc/72/46/58/419724658.db2.gz LDSRAZKOGZHNDV-LBPRGKRZSA-N 2 2 284.404 -0.345 20 0 CBADLP C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](C)CC2)[C@H](C[NH3+])C1 ZINC000662988933 419806575 /nfs/dbraw/zinc/80/65/75/419806575.db2.gz XWZGUQHNXADFJK-NEPJUHHUSA-N 2 2 282.388 -0.654 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@]23CCNC3=O)CC1 ZINC000521640657 544602308 /nfs/dbraw/zinc/60/23/08/544602308.db2.gz OBDSVHCMIJECQP-CQSZACIVSA-N 2 2 280.372 -0.885 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@]23CCNC3=O)CC1 ZINC000521640657 544602313 /nfs/dbraw/zinc/60/23/13/544602313.db2.gz OBDSVHCMIJECQP-CQSZACIVSA-N 2 2 280.372 -0.885 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C ZINC000649069816 419832881 /nfs/dbraw/zinc/83/28/81/419832881.db2.gz AMOKVWUFUPSUFM-LLVKDONJSA-N 2 2 293.371 -0.161 20 0 CBADLP COc1cc[nH+]cc1NC(=O)C(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000663614734 419847311 /nfs/dbraw/zinc/84/73/11/419847311.db2.gz ZMRIGEVPJJHMRH-ZDUSSCGKSA-N 2 2 278.312 -0.103 20 0 CBADLP Cc1cn2c([nH+]1)CN(C(=O)C(=O)N(C)CC(C)(C)[NH3+])CC2 ZINC000662940028 419788598 /nfs/dbraw/zinc/78/85/98/419788598.db2.gz FIMCKTQGKSAUJV-UHFFFAOYSA-N 2 2 293.371 -0.271 20 0 CBADLP CN(Cc1c[nH+]c[nH]1)C(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000662947127 419790530 /nfs/dbraw/zinc/79/05/30/419790530.db2.gz LDQXIPBFUCBHGQ-LLVKDONJSA-N 2 2 279.344 -0.292 20 0 CBADLP CN(Cc1c[nH]c[nH+]1)C(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000662947127 419790535 /nfs/dbraw/zinc/79/05/35/419790535.db2.gz LDQXIPBFUCBHGQ-LLVKDONJSA-N 2 2 279.344 -0.292 20 0 CBADLP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000662948051 419790562 /nfs/dbraw/zinc/79/05/62/419790562.db2.gz RPTPGDKTGYJLEO-SECBINFHSA-N 2 2 265.317 -0.812 20 0 CBADLP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000662948051 419790566 /nfs/dbraw/zinc/79/05/66/419790566.db2.gz RPTPGDKTGYJLEO-SECBINFHSA-N 2 2 265.317 -0.812 20 0 CBADLP C[C@H]1CN(C(=O)C(=O)N(C)Cc2c[nH+]c[nH]2)C[C@H](C)[NH2+]1 ZINC000662953755 419791867 /nfs/dbraw/zinc/79/18/67/419791867.db2.gz PNJGPOLBYQSCPQ-UWVGGRQHSA-N 2 2 279.344 -0.423 20 0 CBADLP C[C@H]1CN(C(=O)C(=O)N(C)Cc2c[nH]c[nH+]2)C[C@H](C)[NH2+]1 ZINC000662953755 419791870 /nfs/dbraw/zinc/79/18/70/419791870.db2.gz PNJGPOLBYQSCPQ-UWVGGRQHSA-N 2 2 279.344 -0.423 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)CCC(C)(C)[NH3+])CC1 ZINC000649293999 419867735 /nfs/dbraw/zinc/86/77/35/419867735.db2.gz WTIMYBHKTIRSHC-UHFFFAOYSA-N 2 2 284.404 -0.216 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N[C@H](C)CC[NH+](C)C)CC1 ZINC000355290233 419867859 /nfs/dbraw/zinc/86/78/59/419867859.db2.gz FYCWZOIVKFXSLS-GFCCVEGCSA-N 2 2 284.404 -0.393 20 0 CBADLP C[NH+](C)C[C@@H](CO)Nc1cc(-n2cc[nH+]c2)ncn1 ZINC000663910657 419869439 /nfs/dbraw/zinc/86/94/39/419869439.db2.gz LOPALNQAUHPICB-JTQLQIEISA-N 2 2 262.317 -0.003 20 0 CBADLP C[C@H]([NH2+]C1CC1)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000649312512 419878929 /nfs/dbraw/zinc/87/89/29/419878929.db2.gz VVAIUFXWLPZGBB-MNOVXSKESA-N 2 2 255.362 -0.036 20 0 CBADLP C[C@H]([NH2+]C1CC1)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000649312512 419878935 /nfs/dbraw/zinc/87/89/35/419878935.db2.gz VVAIUFXWLPZGBB-MNOVXSKESA-N 2 2 255.362 -0.036 20 0 CBADLP Cn1ncnc1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000664253690 419891611 /nfs/dbraw/zinc/89/16/11/419891611.db2.gz QXTCYHZUKDOJPE-NSHDSACASA-N 2 2 292.387 -0.287 20 0 CBADLP Cn1ncnc1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000664253690 419891615 /nfs/dbraw/zinc/89/16/15/419891615.db2.gz QXTCYHZUKDOJPE-NSHDSACASA-N 2 2 292.387 -0.287 20 0 CBADLP Cc1nc(NC[C@]2(O)CC[N@H+](C)C2)nc(N(C)C)[nH+]1 ZINC000358308501 419893615 /nfs/dbraw/zinc/89/36/15/419893615.db2.gz PAOVEBJFFCHQRC-GFCCVEGCSA-N 2 2 266.349 -0.275 20 0 CBADLP Cc1nc(NC[C@]2(O)CC[N@@H+](C)C2)nc(N(C)C)[nH+]1 ZINC000358308501 419893620 /nfs/dbraw/zinc/89/36/20/419893620.db2.gz PAOVEBJFFCHQRC-GFCCVEGCSA-N 2 2 266.349 -0.275 20 0 CBADLP Cc1nc(N(C)C)nc(NC[C@]2(O)CC[N@H+](C)C2)[nH+]1 ZINC000358308501 419893625 /nfs/dbraw/zinc/89/36/25/419893625.db2.gz PAOVEBJFFCHQRC-GFCCVEGCSA-N 2 2 266.349 -0.275 20 0 CBADLP Cc1nc(N(C)C)nc(NC[C@]2(O)CC[N@@H+](C)C2)[nH+]1 ZINC000358308501 419893631 /nfs/dbraw/zinc/89/36/31/419893631.db2.gz PAOVEBJFFCHQRC-GFCCVEGCSA-N 2 2 266.349 -0.275 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)C2)CC1 ZINC000649334115 419894258 /nfs/dbraw/zinc/89/42/58/419894258.db2.gz KXOKPDMZWHAFNB-SPWCGHHHSA-N 3 2 292.427 -0.264 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)C2)CC1 ZINC000649334115 419894264 /nfs/dbraw/zinc/89/42/64/419894264.db2.gz KXOKPDMZWHAFNB-SPWCGHHHSA-N 3 2 292.427 -0.264 20 0 CBADLP CC(C)c1nc(NC[C@@]2(O)CC[N@H+](C)C2)nc(N(C)C)[nH+]1 ZINC000358364384 419895557 /nfs/dbraw/zinc/89/55/57/419895557.db2.gz YSVHJFAEYKKQMP-AWEZNQCLSA-N 2 2 294.403 0.540 20 0 CBADLP CC(C)c1nc(NC[C@@]2(O)CC[N@@H+](C)C2)nc(N(C)C)[nH+]1 ZINC000358364384 419895559 /nfs/dbraw/zinc/89/55/59/419895559.db2.gz YSVHJFAEYKKQMP-AWEZNQCLSA-N 2 2 294.403 0.540 20 0 CBADLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C[NH3+])CC1 ZINC000649285743 419860172 /nfs/dbraw/zinc/86/01/72/419860172.db2.gz QSVLURXDWLFJIC-UHFFFAOYSA-N 2 2 276.340 -0.029 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@H]2[NH2+]CC2(C)C)CC1 ZINC000649283174 419862677 /nfs/dbraw/zinc/86/26/77/419862677.db2.gz SPVVNWCGJAIJIM-LLVKDONJSA-N 2 2 255.362 -0.225 20 0 CBADLP COC1CC[NH+](CCNC(=O)[C@H]2CSC[NH2+]2)CC1 ZINC000649343231 419898764 /nfs/dbraw/zinc/89/87/64/419898764.db2.gz QGNMFYFAKIJGKC-LLVKDONJSA-N 2 2 273.402 -0.124 20 0 CBADLP C[C@@H](NC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1)c1[nH+]ccn1C ZINC000667246411 544657665 /nfs/dbraw/zinc/65/76/65/544657665.db2.gz HFGNKDLWTJIYLB-ZYHUDNBSSA-N 2 2 293.371 -0.059 20 0 CBADLP C[C@@H](NC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1)c1[nH+]ccn1C ZINC000667246411 544657672 /nfs/dbraw/zinc/65/76/72/544657672.db2.gz HFGNKDLWTJIYLB-ZYHUDNBSSA-N 2 2 293.371 -0.059 20 0 CBADLP C[C@H](CC[N@@H+]1CCOC[C@@H](O)C1)[NH+]1CCOC[C@H](O)C1 ZINC000664772695 419916040 /nfs/dbraw/zinc/91/60/40/419916040.db2.gz IMPBLEYWHLPHMR-HZSPNIEDSA-N 2 2 288.388 -0.849 20 0 CBADLP C[C@H](CC[N@H+]1CCOC[C@@H](O)C1)[NH+]1CCOC[C@H](O)C1 ZINC000664772695 419916045 /nfs/dbraw/zinc/91/60/45/419916045.db2.gz IMPBLEYWHLPHMR-HZSPNIEDSA-N 2 2 288.388 -0.849 20 0 CBADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000649411287 419908955 /nfs/dbraw/zinc/90/89/55/419908955.db2.gz DLPFZIXWYNVPFR-CHWSQXEVSA-N 2 2 280.416 -0.119 20 0 CBADLP C[C@H](C(=O)NC1CC1)N1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000649411287 419908958 /nfs/dbraw/zinc/90/89/58/419908958.db2.gz DLPFZIXWYNVPFR-CHWSQXEVSA-N 2 2 280.416 -0.119 20 0 CBADLP Cc1cc(N2CC[C@H]([N@H+](C)C[C@H](O)C[NH3+])C2=O)n(C)n1 ZINC000649419795 419909073 /nfs/dbraw/zinc/90/90/73/419909073.db2.gz LYIUFJAZLWBUOY-MNOVXSKESA-N 2 2 281.360 -0.915 20 0 CBADLP Cc1cc(N2CC[C@H]([N@@H+](C)C[C@H](O)C[NH3+])C2=O)n(C)n1 ZINC000649419795 419909077 /nfs/dbraw/zinc/90/90/77/419909077.db2.gz LYIUFJAZLWBUOY-MNOVXSKESA-N 2 2 281.360 -0.915 20 0 CBADLP O=C(CN1CCOCC1)N1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000649411310 419909315 /nfs/dbraw/zinc/90/93/15/419909315.db2.gz HDQFUBZPRVOTIJ-AWEZNQCLSA-N 2 2 296.415 -0.928 20 0 CBADLP C[C@H](CC[NH+]1CCOC[C@@H](O)C1)[N@@H+]1CCOC[C@H](O)C1 ZINC000664772695 419916049 /nfs/dbraw/zinc/91/60/49/419916049.db2.gz IMPBLEYWHLPHMR-HZSPNIEDSA-N 2 2 288.388 -0.849 20 0 CBADLP C[C@H](CC[NH+]1CCOC[C@@H](O)C1)[N@H+]1CCOC[C@H](O)C1 ZINC000664772695 419916052 /nfs/dbraw/zinc/91/60/52/419916052.db2.gz IMPBLEYWHLPHMR-HZSPNIEDSA-N 2 2 288.388 -0.849 20 0 CBADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000649411289 419910938 /nfs/dbraw/zinc/91/09/38/419910938.db2.gz DLPFZIXWYNVPFR-QWHCGFSZSA-N 2 2 280.416 -0.119 20 0 CBADLP C[C@@H](C(=O)NC1CC1)N1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000649411289 419910942 /nfs/dbraw/zinc/91/09/42/419910942.db2.gz DLPFZIXWYNVPFR-QWHCGFSZSA-N 2 2 280.416 -0.119 20 0 CBADLP C[NH+](C)[C@H]1CN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C[C@@H]1O ZINC000664714131 419914861 /nfs/dbraw/zinc/91/48/61/419914861.db2.gz PYWUNATWUVUFLA-WOPDTQHZSA-N 2 2 293.371 -0.486 20 0 CBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C[C@H]1CC(=O)N1 ZINC000668688540 544717195 /nfs/dbraw/zinc/71/71/95/544717195.db2.gz PCIVQRIYLJSORA-GFCCVEGCSA-N 2 2 296.415 -0.251 20 0 CBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C[C@H]1CC(=O)N1 ZINC000668688540 544717199 /nfs/dbraw/zinc/71/71/99/544717199.db2.gz PCIVQRIYLJSORA-GFCCVEGCSA-N 2 2 296.415 -0.251 20 0 CBADLP C[N@@H+]1CCN(C(=O)C[C@@H]2CCCC[C@@H]2[NH3+])[C@H](C[NH3+])C1 ZINC000669512654 544751313 /nfs/dbraw/zinc/75/13/13/544751313.db2.gz WQGKARFDVLZHFQ-XQQFMLRXSA-N 3 2 268.405 -0.005 20 0 CBADLP C[N@H+]1CCN(C(=O)C[C@@H]2CCCC[C@@H]2[NH3+])[C@H](C[NH3+])C1 ZINC000669512654 544751321 /nfs/dbraw/zinc/75/13/21/544751321.db2.gz WQGKARFDVLZHFQ-XQQFMLRXSA-N 3 2 268.405 -0.005 20 0 CBADLP C[C@@H](NC(=O)N1CC[NH2+][C@@H](C)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000669538173 544753137 /nfs/dbraw/zinc/75/31/37/544753137.db2.gz BXUYVXJAQPYWAI-TUAOUCFPSA-N 2 2 270.377 -0.291 20 0 CBADLP C[C@@H](NC(=O)N1CC[NH2+][C@@H](C)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000669538173 544753139 /nfs/dbraw/zinc/75/31/39/544753139.db2.gz BXUYVXJAQPYWAI-TUAOUCFPSA-N 2 2 270.377 -0.291 20 0 CBADLP CC[NH+](CC)CC(=O)N1CC[NH+](C[C@@H]2CCC(=O)N2)CC1 ZINC000649508813 419917055 /nfs/dbraw/zinc/91/70/55/419917055.db2.gz GGKAUXYNNVMXRI-ZDUSSCGKSA-N 2 2 296.415 -0.249 20 0 CBADLP CC(C[NH+]1CCOC[C@H](O)C1)C[N@@H+]1CCOC[C@H](O)C1 ZINC000664774349 419917539 /nfs/dbraw/zinc/91/75/39/419917539.db2.gz MYGMWHZFHZTZFP-ZIAGYGMSSA-N 2 2 288.388 -0.991 20 0 CBADLP CC(C[NH+]1CCOC[C@H](O)C1)C[N@H+]1CCOC[C@H](O)C1 ZINC000664774349 419917545 /nfs/dbraw/zinc/91/75/45/419917545.db2.gz MYGMWHZFHZTZFP-ZIAGYGMSSA-N 2 2 288.388 -0.991 20 0 CBADLP COC[C@@H]1C[C@@H](O)C[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000649744497 419929694 /nfs/dbraw/zinc/92/96/94/419929694.db2.gz ATUWBEUYMQEOPF-XQQFMLRXSA-N 2 2 258.362 -0.477 20 0 CBADLP COC[C@@H]1C[C@@H](O)C[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000649744497 419929709 /nfs/dbraw/zinc/92/97/09/419929709.db2.gz ATUWBEUYMQEOPF-XQQFMLRXSA-N 2 2 258.362 -0.477 20 0 CBADLP COC[C@@H]1C[C@@H](O)C[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000649744497 419929715 /nfs/dbraw/zinc/92/97/15/419929715.db2.gz ATUWBEUYMQEOPF-XQQFMLRXSA-N 2 2 258.362 -0.477 20 0 CBADLP COC[C@@H]1C[C@@H](O)C[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000649744497 419929718 /nfs/dbraw/zinc/92/97/18/419929718.db2.gz ATUWBEUYMQEOPF-XQQFMLRXSA-N 2 2 258.362 -0.477 20 0 CBADLP C[NH+](C)CCN1CC[N@H+](CCOC[C@H]2CCCO2)CC1=O ZINC000649687039 419924629 /nfs/dbraw/zinc/92/46/29/419924629.db2.gz GHVYJDFKCMWGMG-CQSZACIVSA-N 2 2 299.415 -0.112 20 0 CBADLP C[NH+](C)CCN1CC[N@@H+](CCOC[C@H]2CCCO2)CC1=O ZINC000649687039 419924635 /nfs/dbraw/zinc/92/46/35/419924635.db2.gz GHVYJDFKCMWGMG-CQSZACIVSA-N 2 2 299.415 -0.112 20 0 CBADLP C[C@@](O)(CNC(=O)CCn1cc[nH+]c1)C[NH+]1CCOCC1 ZINC000359836619 419991292 /nfs/dbraw/zinc/99/12/92/419991292.db2.gz YMPDBZBVLDYJNG-CQSZACIVSA-N 2 2 296.371 -0.527 20 0 CBADLP C[C@H](C(=O)N[C@H]1CCc2c[nH+]cn2C1)N1CC[NH+](C)CC1 ZINC000672147443 544841080 /nfs/dbraw/zinc/84/10/80/544841080.db2.gz NMECJGJAFUDUQQ-OLZOCXBDSA-N 2 2 291.399 -0.050 20 0 CBADLP CC[N@@H+]1CCN(C(=O)CN2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000672189656 544842341 /nfs/dbraw/zinc/84/23/41/544842341.db2.gz IKQUAJFXBAALDV-ZDUSSCGKSA-N 2 2 268.405 -0.214 20 0 CBADLP CC[N@H+]1CCN(C(=O)CN2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000672189656 544842346 /nfs/dbraw/zinc/84/23/46/544842346.db2.gz IKQUAJFXBAALDV-ZDUSSCGKSA-N 2 2 268.405 -0.214 20 0 CBADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCCN(C)S(C)(=O)=O ZINC000665230338 419938564 /nfs/dbraw/zinc/93/85/64/419938564.db2.gz MVIGCAHWFZBBBQ-VXGBXAGGSA-N 2 2 293.433 -0.376 20 0 CBADLP CCC[C@@H]1C[NH2+]CCN1C(=O)CN1CC[NH2+]CC1=O ZINC000359187983 419947327 /nfs/dbraw/zinc/94/73/27/419947327.db2.gz BUQFBCOFWSCGMU-LLVKDONJSA-N 2 2 268.361 -0.981 20 0 CBADLP C[NH+](C)CCN1CCN(C(=O)CCn2cc[nH+]c2)CC1=O ZINC000650302542 419950564 /nfs/dbraw/zinc/95/05/64/419950564.db2.gz PYWLLAFGSIWMIH-UHFFFAOYSA-N 2 2 293.371 -0.494 20 0 CBADLP COCCCS(=O)(=O)NCC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359308271 419957196 /nfs/dbraw/zinc/95/71/96/419957196.db2.gz OLJQTCNCQBAUDR-RYUDHWBXSA-N 2 2 291.417 -0.907 20 0 CBADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359295848 419957400 /nfs/dbraw/zinc/95/74/00/419957400.db2.gz XQRUYHCLSQYLSJ-VOAKCMCISA-N 2 2 267.373 -0.179 20 0 CBADLP CC(=O)N1CCN(C(=O)[C@H](C)[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000359313430 419959940 /nfs/dbraw/zinc/95/99/40/419959940.db2.gz VZZKDBZVTDPUGY-UBHSHLNASA-N 2 2 294.399 -0.783 20 0 CBADLP C[NH+](C)Cc1cc(C(=O)NC[C@H]2C[NH+]3CCN2CC3)no1 ZINC000359384937 419961296 /nfs/dbraw/zinc/96/12/96/419961296.db2.gz CFJJPGWAEZOIIK-NSHDSACASA-N 2 2 293.371 -0.534 20 0 CBADLP O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CCn2c[nH+]cc2C1 ZINC000359471661 419966472 /nfs/dbraw/zinc/96/64/72/419966472.db2.gz CEVOTKDNQKVAAB-CYBMUJFWSA-N 2 2 275.356 -0.385 20 0 CBADLP O=C([C@H]1C[N@H+]2CCN1CCC2)N1CCn2c[nH+]cc2C1 ZINC000359471661 419966477 /nfs/dbraw/zinc/96/64/77/419966477.db2.gz CEVOTKDNQKVAAB-CYBMUJFWSA-N 2 2 275.356 -0.385 20 0 CBADLP O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CCn2c[nH+]cc2C1 ZINC000359471662 419966507 /nfs/dbraw/zinc/96/65/07/419966507.db2.gz CEVOTKDNQKVAAB-ZDUSSCGKSA-N 2 2 275.356 -0.385 20 0 CBADLP O=C([C@@H]1C[N@H+]2CCN1CCC2)N1CCn2c[nH+]cc2C1 ZINC000359471662 419966512 /nfs/dbraw/zinc/96/65/12/419966512.db2.gz CEVOTKDNQKVAAB-ZDUSSCGKSA-N 2 2 275.356 -0.385 20 0 CBADLP C[C@@H]1CCC[N@H+](Cc2cn(CC(N)=O)nn2)[C@@H]1CC[NH3+] ZINC000650711882 419967645 /nfs/dbraw/zinc/96/76/45/419967645.db2.gz HEMSEZNGYSHLES-ZYHUDNBSSA-N 2 2 280.376 -0.287 20 0 CBADLP C[C@@H]1CCC[N@@H+](Cc2cn(CC(N)=O)nn2)[C@@H]1CC[NH3+] ZINC000650711882 419967651 /nfs/dbraw/zinc/96/76/51/419967651.db2.gz HEMSEZNGYSHLES-ZYHUDNBSSA-N 2 2 280.376 -0.287 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@H](C)C[NH+]2CCOCC2)C1 ZINC000359954040 419997021 /nfs/dbraw/zinc/99/70/21/419997021.db2.gz IABXHSMERCLNDK-OLZOCXBDSA-N 2 2 285.388 -0.456 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)N[C@H](C)C[NH+]2CCOCC2)C1 ZINC000359954040 419997024 /nfs/dbraw/zinc/99/70/24/419997024.db2.gz IABXHSMERCLNDK-OLZOCXBDSA-N 2 2 285.388 -0.456 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)N1CC[NH+](C)CC1 ZINC000360225921 420012034 /nfs/dbraw/zinc/01/20/34/420012034.db2.gz SZPRYMOXAXPWNT-QWHCGFSZSA-N 2 2 284.404 -0.931 20 0 CBADLP CC[NH+](CC)CC(=O)N[C@@H]1C[NH2+][C@@H](C(=O)OC)C1 ZINC000365758121 420068963 /nfs/dbraw/zinc/06/89/63/420068963.db2.gz DCGYECHYXOQLPH-VHSXEESVSA-N 2 2 257.334 -0.652 20 0 CBADLP CC(=O)NCC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364231576 420035068 /nfs/dbraw/zinc/03/50/68/420035068.db2.gz NKZFSNKBFVCWQM-GFCCVEGCSA-N 2 2 282.388 -0.593 20 0 CBADLP CC(=O)NCC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364231576 420035071 /nfs/dbraw/zinc/03/50/71/420035071.db2.gz NKZFSNKBFVCWQM-GFCCVEGCSA-N 2 2 282.388 -0.593 20 0 CBADLP CN1CC[N@H+](C)[C@H](CNC(=O)NCCC2CC[NH2+]CC2)C1 ZINC000652150405 420049605 /nfs/dbraw/zinc/04/96/05/420049605.db2.gz VKWXWSHUDXIJLU-CQSZACIVSA-N 2 2 297.447 -0.079 20 0 CBADLP CN1CC[N@@H+](C)[C@H](CNC(=O)NCCC2CC[NH2+]CC2)C1 ZINC000652150405 420049609 /nfs/dbraw/zinc/04/96/09/420049609.db2.gz VKWXWSHUDXIJLU-CQSZACIVSA-N 2 2 297.447 -0.079 20 0 CBADLP CC(C)[C@H]([NH3+])C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000364996065 420051092 /nfs/dbraw/zinc/05/10/92/420051092.db2.gz RJDDUHPAVHPLLE-NEPJUHHUSA-N 2 2 255.362 -0.097 20 0 CBADLP CCO[C@@H]1C[N@H+](CC(=O)NCc2cccnc2)C[C@H]1C[NH3+] ZINC000652356508 420059813 /nfs/dbraw/zinc/05/98/13/420059813.db2.gz OEPNBFDPXLPWSC-ZIAGYGMSSA-N 2 2 292.383 -0.007 20 0 CBADLP CCO[C@@H]1C[N@@H+](CC(=O)NCc2cccnc2)C[C@H]1C[NH3+] ZINC000652356508 420059819 /nfs/dbraw/zinc/05/98/19/420059819.db2.gz OEPNBFDPXLPWSC-ZIAGYGMSSA-N 2 2 292.383 -0.007 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)NCCCN2CC[NH+](C)CC2)C1 ZINC000365632779 420064468 /nfs/dbraw/zinc/06/44/68/420064468.db2.gz NFZHDYUOBFQVMA-AWEZNQCLSA-N 2 2 298.431 -0.539 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)NCCCN2CC[NH+](C)CC2)C1 ZINC000365632779 420064476 /nfs/dbraw/zinc/06/44/76/420064476.db2.gz NFZHDYUOBFQVMA-AWEZNQCLSA-N 2 2 298.431 -0.539 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)NCCC[NH+]2CCN(C)CC2)C1 ZINC000365632779 420064479 /nfs/dbraw/zinc/06/44/79/420064479.db2.gz NFZHDYUOBFQVMA-AWEZNQCLSA-N 2 2 298.431 -0.539 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)NCCC[NH+]2CCN(C)CC2)C1 ZINC000365632779 420064483 /nfs/dbraw/zinc/06/44/83/420064483.db2.gz NFZHDYUOBFQVMA-AWEZNQCLSA-N 2 2 298.431 -0.539 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)NCc2c[nH+]c(N(C)C)n2C)C1 ZINC000365723979 420067266 /nfs/dbraw/zinc/06/72/66/420067266.db2.gz NWPBXOHCFMKEGV-GFCCVEGCSA-N 2 2 295.387 -0.177 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)NCc2c[nH+]c(N(C)C)n2C)C1 ZINC000365723979 420067269 /nfs/dbraw/zinc/06/72/69/420067269.db2.gz NWPBXOHCFMKEGV-GFCCVEGCSA-N 2 2 295.387 -0.177 20 0 CBADLP O=C(CCn1cc[nH+]c1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000652888565 420095873 /nfs/dbraw/zinc/09/58/73/420095873.db2.gz MPQWKTYWSJBOGH-GFCCVEGCSA-N 2 2 264.329 -0.449 20 0 CBADLP O=C(CCn1cc[nH+]c1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000652888565 420095877 /nfs/dbraw/zinc/09/58/77/420095877.db2.gz MPQWKTYWSJBOGH-GFCCVEGCSA-N 2 2 264.329 -0.449 20 0 CBADLP CC[C@@H]1CN(C(=O)C[NH2+]C)C[C@H]1[NH+]1CCOCC1 ZINC000366941591 420096723 /nfs/dbraw/zinc/09/67/23/420096723.db2.gz SMPZOCSDUCXOEA-VXGBXAGGSA-N 2 2 255.362 -0.225 20 0 CBADLP C[C@@H](C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1)[NH+]1CCSCC1 ZINC000652890626 420096914 /nfs/dbraw/zinc/09/69/14/420096914.db2.gz HHJMYWGYHYMWIE-WCQYABFASA-N 2 2 299.440 -0.299 20 0 CBADLP C[C@@H](C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1)[NH+]1CCSCC1 ZINC000652890626 420096917 /nfs/dbraw/zinc/09/69/17/420096917.db2.gz HHJMYWGYHYMWIE-WCQYABFASA-N 2 2 299.440 -0.299 20 0 CBADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@H]1CCCCNC1=O ZINC000367370168 420103404 /nfs/dbraw/zinc/10/34/04/420103404.db2.gz BLYDNCWUBLDJQU-LBPRGKRZSA-N 2 2 282.388 -0.639 20 0 CBADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)[C@H]1CCCCNC1=O ZINC000367370168 420103407 /nfs/dbraw/zinc/10/34/07/420103407.db2.gz BLYDNCWUBLDJQU-LBPRGKRZSA-N 2 2 282.388 -0.639 20 0 CBADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@@H]1CCCCNC1=O ZINC000367370167 420103955 /nfs/dbraw/zinc/10/39/55/420103955.db2.gz BLYDNCWUBLDJQU-GFCCVEGCSA-N 2 2 282.388 -0.639 20 0 CBADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)[C@@H]1CCCCNC1=O ZINC000367370167 420103961 /nfs/dbraw/zinc/10/39/61/420103961.db2.gz BLYDNCWUBLDJQU-GFCCVEGCSA-N 2 2 282.388 -0.639 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCCC[C@@H](CO)C2)CC1 ZINC000367441182 420105232 /nfs/dbraw/zinc/10/52/32/420105232.db2.gz QZTGQQPOIHERAZ-CYBMUJFWSA-N 2 2 269.389 -0.145 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CCCC[C@@H](CO)C2)CC1 ZINC000367441182 420105235 /nfs/dbraw/zinc/10/52/35/420105235.db2.gz QZTGQQPOIHERAZ-CYBMUJFWSA-N 2 2 269.389 -0.145 20 0 CBADLP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653044984 420110269 /nfs/dbraw/zinc/11/02/69/420110269.db2.gz MUHLKNNIGKYDOF-SRVKXCTJSA-N 3 2 256.394 -0.006 20 0 CBADLP C[C@@H]1CCCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)[C@H]1C[NH3+] ZINC000653052047 420111408 /nfs/dbraw/zinc/11/14/08/420111408.db2.gz SIBVMUMAZSKSLA-UTUOFQBUSA-N 3 2 256.394 -0.149 20 0 CBADLP CN1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)[C@@H](C[NH3+])C1 ZINC000653055057 420111534 /nfs/dbraw/zinc/11/15/34/420111534.db2.gz KNTBSTPKBULTCD-ZDUSSCGKSA-N 2 2 291.399 -0.137 20 0 CBADLP CN(CC(=O)NC(C)(C)C)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653061069 420111565 /nfs/dbraw/zinc/11/15/65/420111565.db2.gz AGAAQCYSTYRTGY-SNVBAGLBSA-N 2 2 272.393 -0.362 20 0 CBADLP CN(C)C(=O)N1CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653068385 420113055 /nfs/dbraw/zinc/11/30/55/420113055.db2.gz AKRLXMPQQRYHJS-NSHDSACASA-N 2 2 285.392 -0.909 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCC(=O)NC1CCCCC1 ZINC000653081711 420113069 /nfs/dbraw/zinc/11/30/69/420113069.db2.gz YGXDYFPDTAKSLZ-LBPRGKRZSA-N 2 2 284.404 -0.170 20 0 CBADLP CCCCN(CC(N)=O)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653072702 420113522 /nfs/dbraw/zinc/11/35/22/420113522.db2.gz BVJWZZSXMDPHLK-JTQLQIEISA-N 2 2 258.366 -0.621 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC[C@@H](O)COc1ccccc1 ZINC000653073240 420113692 /nfs/dbraw/zinc/11/36/92/420113692.db2.gz WPZDRBANZHOUHI-TZMCWYRMSA-N 2 2 295.383 -0.179 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCOCC(F)(F)F ZINC000653064476 420113856 /nfs/dbraw/zinc/11/38/56/420113856.db2.gz WCTXBQMBZQKMAU-QMMMGPOBSA-N 2 2 271.283 -0.040 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N(CC(N)=O)C1CCCC1 ZINC000653067141 420113865 /nfs/dbraw/zinc/11/38/65/420113865.db2.gz QQMUZIOCWPNNBW-NSHDSACASA-N 2 2 270.377 -0.478 20 0 CBADLP O=C(NC[C@]1([NH+]2CCOCC2)CCCOC1)C1C[NH2+]C1 ZINC000367808798 420113940 /nfs/dbraw/zinc/11/39/40/420113940.db2.gz ABZKHXVMCSFGRL-CQSZACIVSA-N 2 2 283.372 -0.797 20 0 CBADLP CC(C)N1C[C@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)CC1=O ZINC000653084796 420114351 /nfs/dbraw/zinc/11/43/51/420114351.db2.gz SHEOVZODXZMFOC-GHMZBOCLSA-N 2 2 270.377 -0.609 20 0 CBADLP O=C(C1C[NH2+]C1)N1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000367820368 420114809 /nfs/dbraw/zinc/11/48/09/420114809.db2.gz IMWNHDSDTIDEGY-LBPRGKRZSA-N 2 2 280.372 -0.981 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000653092344 420115505 /nfs/dbraw/zinc/11/55/05/420115505.db2.gz ZRKZFOMLJVKILB-KOLCDFICSA-N 2 2 268.361 -0.855 20 0 CBADLP C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)CC1=O ZINC000653101896 420116107 /nfs/dbraw/zinc/11/61/07/420116107.db2.gz JIWNUDSKGFFKEC-KKOKHZNYSA-N 2 2 282.388 -0.609 20 0 CBADLP C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)CC1=O ZINC000653101899 420116726 /nfs/dbraw/zinc/11/67/26/420116726.db2.gz JIWNUDSKGFFKEC-WYUUTHIRSA-N 2 2 282.388 -0.609 20 0 CBADLP C[C@@H](CNC(=O)[C@]12C[NH2+]C[C@H]1COC2)Cn1cc[nH+]c1 ZINC000653112198 420116746 /nfs/dbraw/zinc/11/67/46/420116746.db2.gz PTKRSQIPHOUOSS-OBJOEFQTSA-N 2 2 278.356 -0.129 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1 ZINC000653107716 420116899 /nfs/dbraw/zinc/11/68/99/420116899.db2.gz VQEQVVMLQUURIC-JSGCOSHPSA-N 2 2 283.372 -0.987 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@](F)(CO)C2)CC1 ZINC000367859438 420116907 /nfs/dbraw/zinc/11/69/07/420116907.db2.gz WFQHYDZFWBLNJV-CQSZACIVSA-N 2 2 287.379 -0.053 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@](F)(CO)C2)CC1 ZINC000367859438 420116909 /nfs/dbraw/zinc/11/69/09/420116909.db2.gz WFQHYDZFWBLNJV-CQSZACIVSA-N 2 2 287.379 -0.053 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000653110689 420116990 /nfs/dbraw/zinc/11/69/90/420116990.db2.gz QUAMFLWHUGLTBN-AAEUAGOBSA-N 3 2 288.461 -0.181 20 0 CBADLP C[NH+](C)CC[C@@H](N)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000653112118 420117167 /nfs/dbraw/zinc/11/71/67/420117167.db2.gz MFASXCZUZQORJB-UONOGXRCSA-N 2 2 298.431 -0.411 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653110054 420117330 /nfs/dbraw/zinc/11/73/30/420117330.db2.gz WOAWWIYEYWKIKK-OBJOEFQTSA-N 2 2 283.372 -0.941 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCN(CC(F)(F)F)CC1 ZINC000653107451 420117685 /nfs/dbraw/zinc/11/76/85/420117685.db2.gz JSZDFFFREXYHBC-JTQLQIEISA-N 2 2 296.337 -0.028 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000653117593 420118263 /nfs/dbraw/zinc/11/82/63/420118263.db2.gz QQONURVWMAOMOI-GFCCVEGCSA-N 3 2 288.355 -0.093 20 0 CBADLP CN(CCn1cccn1)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653119714 420118602 /nfs/dbraw/zinc/11/86/02/420118602.db2.gz TZPMJUUKTGDOAY-LLVKDONJSA-N 2 2 253.350 -0.380 20 0 CBADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653124017 420118700 /nfs/dbraw/zinc/11/87/00/420118700.db2.gz OEZWCFQYPYOEGY-RTXFEEFZSA-N 3 2 268.405 -0.136 20 0 CBADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653124017 420118703 /nfs/dbraw/zinc/11/87/03/420118703.db2.gz OEZWCFQYPYOEGY-RTXFEEFZSA-N 3 2 268.405 -0.136 20 0 CBADLP C[C@H]1CC[N@H+](CCNC(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000653121982 420119048 /nfs/dbraw/zinc/11/90/48/420119048.db2.gz HYTOAUBXCLZZLJ-NWDGAFQWSA-N 3 2 256.394 -0.277 20 0 CBADLP C[C@H]1CC[N@@H+](CCNC(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000653121982 420119053 /nfs/dbraw/zinc/11/90/53/420119053.db2.gz HYTOAUBXCLZZLJ-NWDGAFQWSA-N 3 2 256.394 -0.277 20 0 CBADLP CC[N@H+](CCNC(=O)[C@@H]([NH3+])CC[NH+](C)C)C1CC1 ZINC000653115054 420119271 /nfs/dbraw/zinc/11/92/71/420119271.db2.gz AWXXCSCTNUPBMG-LBPRGKRZSA-N 3 2 256.394 -0.134 20 0 CBADLP CC[N@@H+](CCNC(=O)[C@@H]([NH3+])CC[NH+](C)C)C1CC1 ZINC000653115054 420119276 /nfs/dbraw/zinc/11/92/76/420119276.db2.gz AWXXCSCTNUPBMG-LBPRGKRZSA-N 3 2 256.394 -0.134 20 0 CBADLP C[C@@H](NC(=O)[C@]12C[NH2+]C[C@H]1COC2)[C@H](C)[NH+]1CCOCC1 ZINC000653117653 420119707 /nfs/dbraw/zinc/11/97/07/420119707.db2.gz SEGVBZGCAWDELT-OSFYFWSMSA-N 2 2 297.399 -0.552 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000653115201 420119956 /nfs/dbraw/zinc/11/99/56/420119956.db2.gz GNVFCOTVUKYMLQ-STQMWFEESA-N 3 2 268.405 -0.038 20 0 CBADLP CN(CCNC(=O)[C@H]([NH3+])CC[NH+](C)C)CC(F)(F)F ZINC000653115348 420120131 /nfs/dbraw/zinc/12/01/31/420120131.db2.gz LKDGLEWANAQACD-SECBINFHSA-N 2 2 284.326 -0.124 20 0 CBADLP C[C@H](CNC(=O)[C@H]([NH3+])CC[NH+](C)C)[N@H+](C)C1CC1 ZINC000653116709 420120266 /nfs/dbraw/zinc/12/02/66/420120266.db2.gz PLPJSUFOPJTFJB-ZYHUDNBSSA-N 3 2 256.394 -0.136 20 0 CBADLP C[C@H](CNC(=O)[C@H]([NH3+])CC[NH+](C)C)[N@@H+](C)C1CC1 ZINC000653116709 420120268 /nfs/dbraw/zinc/12/02/68/420120268.db2.gz PLPJSUFOPJTFJB-ZYHUDNBSSA-N 3 2 256.394 -0.136 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000653116454 420120367 /nfs/dbraw/zinc/12/03/67/420120367.db2.gz HNYAPGYJOXHOSJ-IHRRRGAJSA-N 3 2 298.431 -0.677 20 0 CBADLP C[C@H](CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)C[NH+]1CCOCC1 ZINC000653114765 420120494 /nfs/dbraw/zinc/12/04/94/420120494.db2.gz WCDJVUIZGMBRAX-OLZOCXBDSA-N 3 2 286.420 -0.650 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCN(CC(F)F)CC1 ZINC000653113414 420120501 /nfs/dbraw/zinc/12/05/01/420120501.db2.gz BIVCTYMNAKORGD-SNVBAGLBSA-N 2 2 278.347 -0.325 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000653116453 420121016 /nfs/dbraw/zinc/12/10/16/420121016.db2.gz HNYAPGYJOXHOSJ-BFHYXJOUSA-N 3 2 298.431 -0.677 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000653140363 420122175 /nfs/dbraw/zinc/12/21/75/420122175.db2.gz ZWIMJXCSALBDOB-VXGBXAGGSA-N 3 2 256.394 -0.005 20 0 CBADLP O=C([C@H]1CCCc2[nH+]ccn21)N1CC[NH+](CCO)CC1 ZINC000368071836 420123423 /nfs/dbraw/zinc/12/34/23/420123423.db2.gz HWZHKVOADVXMLG-GFCCVEGCSA-N 2 2 278.356 -0.103 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000653162244 420124290 /nfs/dbraw/zinc/12/42/90/420124290.db2.gz UHNAFLLBANUGMC-RYUDHWBXSA-N 3 2 256.394 -0.101 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)N1CCCCC1=O ZINC000653160536 420124502 /nfs/dbraw/zinc/12/45/02/420124502.db2.gz LZKKKZBQEWWPPX-RYUDHWBXSA-N 2 2 284.404 -0.217 20 0 CBADLP COC[C@@H]1CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C[C@H](C)O1 ZINC000653153866 420124630 /nfs/dbraw/zinc/12/46/30/420124630.db2.gz AYRXZHCRLSQCAW-SRVKXCTJSA-N 2 2 273.377 -0.472 20 0 CBADLP [NH3+]Cc1ccc(CNC(=O)CN2CC[NH2+]CC2=O)c(F)c1 ZINC000653225785 420127559 /nfs/dbraw/zinc/12/75/59/420127559.db2.gz DWCOAKOHOFRJRV-UHFFFAOYSA-N 2 2 294.330 -0.668 20 0 CBADLP C[C@@H]1CCCN(C(=O)CN2CC[NH2+]CC2=O)[C@@H]1CC[NH3+] ZINC000653233150 420128177 /nfs/dbraw/zinc/12/81/77/420128177.db2.gz RAOKWXVPIAQWLG-VXGBXAGGSA-N 2 2 282.388 -0.606 20 0 CBADLP COCCOCC[NH+]1CCN(C(=O)[C@]2(C)CCC[NH2+]2)CC1 ZINC000653275492 420133975 /nfs/dbraw/zinc/13/39/75/420133975.db2.gz HCFWCMDGMBOHIU-HNNXBMFYSA-N 2 2 299.415 -0.064 20 0 CBADLP COCCOCC[NH+]1CCN(C(=O)[C@@H](C)C[NH3+])CC1 ZINC000653274489 420134154 /nfs/dbraw/zinc/13/41/54/420134154.db2.gz HFSPXCBULXLEHJ-LBPRGKRZSA-N 2 2 273.377 -0.612 20 0 CBADLP C[NH2+]CCC(=O)N1CC[NH+](CCOCCOC)CC1 ZINC000653274499 420134253 /nfs/dbraw/zinc/13/42/53/420134253.db2.gz HJGMRVMNFSUXRK-UHFFFAOYSA-N 2 2 273.377 -0.597 20 0 CBADLP CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)C1 ZINC000653298889 420137743 /nfs/dbraw/zinc/13/77/43/420137743.db2.gz PXFULJGUEYSFPA-IACUBPJLSA-N 2 2 296.415 -0.075 20 0 CBADLP CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)C1 ZINC000653298889 420137746 /nfs/dbraw/zinc/13/77/46/420137746.db2.gz PXFULJGUEYSFPA-IACUBPJLSA-N 2 2 296.415 -0.075 20 0 CBADLP O=C(NCCN1CC[NH2+]CC1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000368649542 420139255 /nfs/dbraw/zinc/13/92/55/420139255.db2.gz GJEGZCORBWYSRI-VIFPVBQESA-N 2 2 262.304 -0.995 20 0 CBADLP C[NH+](C)CC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000368662149 420139634 /nfs/dbraw/zinc/13/96/34/420139634.db2.gz HFZQHHHKOYBYPZ-VXGBXAGGSA-N 2 2 255.362 -0.394 20 0 CBADLP C[NH2+]C[C@H](C)C(=O)N1CC[NH+](C2(C(N)=O)CCCC2)CC1 ZINC000366332593 420082893 /nfs/dbraw/zinc/08/28/93/420082893.db2.gz JLRZMJWRVJGCDC-LBPRGKRZSA-N 2 2 296.415 -0.216 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@]2(CCOC)CC[NH2+]C2)CC1 ZINC000366349311 420083028 /nfs/dbraw/zinc/08/30/28/420083028.db2.gz VGYHNMYRQCNXDA-HNNXBMFYSA-N 2 2 299.415 -0.207 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@@]2(CCOC)CC[NH2+]C2)CC1 ZINC000366349312 420083707 /nfs/dbraw/zinc/08/37/07/420083707.db2.gz VGYHNMYRQCNXDA-OAHLLOKOSA-N 2 2 299.415 -0.207 20 0 CBADLP C[NH2+]CC(=O)N1CC[NH+](C2(C(N)=O)CCCC2)CC1 ZINC000366334527 420083905 /nfs/dbraw/zinc/08/39/05/420083905.db2.gz QPAMIYVZIWFREQ-UHFFFAOYSA-N 2 2 268.361 -0.852 20 0 CBADLP O=C(NCC[NH+]1CCOCC1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000366680592 420092708 /nfs/dbraw/zinc/09/27/08/420092708.db2.gz QSGXPNIGPVAKMM-TZMCWYRMSA-N 2 2 267.373 -0.176 20 0 CBADLP CC(C)[N@@H+]1CCO[C@H](C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000370596359 420183257 /nfs/dbraw/zinc/18/32/57/420183257.db2.gz GNNROTAPXVGRHV-AWEZNQCLSA-N 2 2 299.415 -0.066 20 0 CBADLP CC(C)[N@H+]1CCO[C@H](C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000370596359 420183259 /nfs/dbraw/zinc/18/32/59/420183259.db2.gz GNNROTAPXVGRHV-AWEZNQCLSA-N 2 2 299.415 -0.066 20 0 CBADLP CO[C@@H](C[NH2+]CC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000378834768 420197393 /nfs/dbraw/zinc/19/73/93/420197393.db2.gz LRHFSHVTBSUNLS-LBPRGKRZSA-N 2 2 255.362 -0.225 20 0 CBADLP Cc1nc(NCC[NH+]2CCSCC2)nc(N)[nH+]1 ZINC000383763812 420200635 /nfs/dbraw/zinc/20/06/35/420200635.db2.gz FFPJYHWYTFRORD-UHFFFAOYSA-N 2 2 254.363 -0.355 20 0 CBADLP CC(C)[NH+]1CC(NC(=O)CN2CC[NH+](C)CC2)C1 ZINC000655052354 420214085 /nfs/dbraw/zinc/21/40/85/420214085.db2.gz WLJKCBPGRCETPP-UHFFFAOYSA-N 2 2 254.378 -0.557 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)CCN1CCCC1=O ZINC000653556293 420148395 /nfs/dbraw/zinc/14/83/95/420148395.db2.gz YVWWQAOVVYMPPZ-ZDUSSCGKSA-N 2 2 287.404 -0.520 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)CCN1CCCC1=O ZINC000653556293 420148398 /nfs/dbraw/zinc/14/83/98/420148398.db2.gz YVWWQAOVVYMPPZ-ZDUSSCGKSA-N 2 2 287.404 -0.520 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)CCN1CCCC1=O ZINC000653556293 420148401 /nfs/dbraw/zinc/14/84/01/420148401.db2.gz YVWWQAOVVYMPPZ-ZDUSSCGKSA-N 2 2 287.404 -0.520 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)CCN1CCCC1=O ZINC000653556293 420148405 /nfs/dbraw/zinc/14/84/05/420148405.db2.gz YVWWQAOVVYMPPZ-ZDUSSCGKSA-N 2 2 287.404 -0.520 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)CC1 ZINC000368974992 420150332 /nfs/dbraw/zinc/15/03/32/420150332.db2.gz PKUTWDCBJKKZHN-SCRDCRAPSA-N 2 2 294.399 -0.654 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)CC1 ZINC000368974992 420150335 /nfs/dbraw/zinc/15/03/35/420150335.db2.gz PKUTWDCBJKKZHN-SCRDCRAPSA-N 2 2 294.399 -0.654 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](n2cncn2)C1 ZINC000653623816 420151996 /nfs/dbraw/zinc/15/19/96/420151996.db2.gz OLXBVYRNWCPOKQ-OLZOCXBDSA-N 2 2 283.376 -0.536 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](n2cncn2)C1 ZINC000653623816 420152003 /nfs/dbraw/zinc/15/20/03/420152003.db2.gz OLXBVYRNWCPOKQ-OLZOCXBDSA-N 2 2 283.376 -0.536 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000653623816 420152006 /nfs/dbraw/zinc/15/20/06/420152006.db2.gz OLXBVYRNWCPOKQ-OLZOCXBDSA-N 2 2 283.376 -0.536 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](n2cncn2)C1 ZINC000653623645 420152993 /nfs/dbraw/zinc/15/29/93/420152993.db2.gz KMEBGCWWQVEFNR-RYUDHWBXSA-N 2 2 253.350 -0.163 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](n2cncn2)C1 ZINC000653623645 420152998 /nfs/dbraw/zinc/15/29/98/420152998.db2.gz KMEBGCWWQVEFNR-RYUDHWBXSA-N 2 2 253.350 -0.163 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000653623645 420153000 /nfs/dbraw/zinc/15/30/00/420153000.db2.gz KMEBGCWWQVEFNR-RYUDHWBXSA-N 2 2 253.350 -0.163 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](n2cncn2)C1 ZINC000653623645 420153005 /nfs/dbraw/zinc/15/30/05/420153005.db2.gz KMEBGCWWQVEFNR-RYUDHWBXSA-N 2 2 253.350 -0.163 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](n2cncn2)C1 ZINC000653623641 420153242 /nfs/dbraw/zinc/15/32/42/420153242.db2.gz KMEBGCWWQVEFNR-NEPJUHHUSA-N 2 2 253.350 -0.163 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](n2cncn2)C1 ZINC000653623641 420153247 /nfs/dbraw/zinc/15/32/47/420153247.db2.gz KMEBGCWWQVEFNR-NEPJUHHUSA-N 2 2 253.350 -0.163 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000653623641 420153252 /nfs/dbraw/zinc/15/32/52/420153252.db2.gz KMEBGCWWQVEFNR-NEPJUHHUSA-N 2 2 253.350 -0.163 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000653623641 420153259 /nfs/dbraw/zinc/15/32/59/420153259.db2.gz KMEBGCWWQVEFNR-NEPJUHHUSA-N 2 2 253.350 -0.163 20 0 CBADLP COC(=O)NCC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369274060 420154395 /nfs/dbraw/zinc/15/43/95/420154395.db2.gz MFFXENVQRFAPQE-LLVKDONJSA-N 2 2 298.387 -0.373 20 0 CBADLP COC(=O)NCC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369274060 420154398 /nfs/dbraw/zinc/15/43/98/420154398.db2.gz MFFXENVQRFAPQE-LLVKDONJSA-N 2 2 298.387 -0.373 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@](O)(CC(N)=O)C1 ZINC000653773121 420161470 /nfs/dbraw/zinc/16/14/70/420161470.db2.gz ZGJMMGYCCRGUHM-AAEUAGOBSA-N 2 2 273.377 -0.999 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@](O)(CC(N)=O)C1 ZINC000653773121 420161475 /nfs/dbraw/zinc/16/14/75/420161475.db2.gz ZGJMMGYCCRGUHM-AAEUAGOBSA-N 2 2 273.377 -0.999 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@](O)(CC(N)=O)C1 ZINC000653773121 420161476 /nfs/dbraw/zinc/16/14/76/420161476.db2.gz ZGJMMGYCCRGUHM-AAEUAGOBSA-N 2 2 273.377 -0.999 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@](O)(CC(N)=O)C1 ZINC000653773121 420161480 /nfs/dbraw/zinc/16/14/80/420161480.db2.gz ZGJMMGYCCRGUHM-AAEUAGOBSA-N 2 2 273.377 -0.999 20 0 CBADLP C[NH+](C)CC(=O)N1CC[NH+](C2(C(N)=O)CCCCC2)CC1 ZINC000369447249 420161485 /nfs/dbraw/zinc/16/14/85/420161485.db2.gz HQRNMRQPZXKCOD-UHFFFAOYSA-N 2 2 296.415 -0.120 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC000369688770 420163404 /nfs/dbraw/zinc/16/34/04/420163404.db2.gz CRQBFZXYDYWPSK-GFCCVEGCSA-N 2 2 255.362 -0.129 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC000369688770 420163407 /nfs/dbraw/zinc/16/34/07/420163407.db2.gz CRQBFZXYDYWPSK-GFCCVEGCSA-N 2 2 255.362 -0.129 20 0 CBADLP Cn1ccnc(N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1=O ZINC000369697134 420164484 /nfs/dbraw/zinc/16/44/84/420164484.db2.gz WIRNXHZEMMEEIH-GFCCVEGCSA-N 2 2 291.399 0.361 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)NCc2[nH+]ccn2C)C1 ZINC000369678537 420164715 /nfs/dbraw/zinc/16/47/15/420164715.db2.gz OBVJQBDPTXTTQX-SNVBAGLBSA-N 2 2 252.318 -0.243 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)NCc2[nH+]ccn2C)C1 ZINC000369678537 420164720 /nfs/dbraw/zinc/16/47/20/420164720.db2.gz OBVJQBDPTXTTQX-SNVBAGLBSA-N 2 2 252.318 -0.243 20 0 CBADLP O=C(NCC[NH+]1CCOCC1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000369819969 420166970 /nfs/dbraw/zinc/16/69/70/420166970.db2.gz RVKAFXHBWMDPRS-AAEUAGOBSA-N 2 2 253.346 -0.566 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)NCCn2cc[nH+]c2)C1 ZINC000369941842 420168851 /nfs/dbraw/zinc/16/88/51/420168851.db2.gz KETLKJBEQUYLTC-LLVKDONJSA-N 2 2 252.318 -0.280 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)NCCn2cc[nH+]c2)C1 ZINC000369941842 420168855 /nfs/dbraw/zinc/16/88/55/420168855.db2.gz KETLKJBEQUYLTC-LLVKDONJSA-N 2 2 252.318 -0.280 20 0 CBADLP C[C@H](CC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)n1cc[nH+]c1 ZINC000655096233 420221799 /nfs/dbraw/zinc/22/17/99/420221799.db2.gz PMHHGESVMVXCIG-WOPDTQHZSA-N 2 2 266.345 -0.033 20 0 CBADLP COCC[N@@H+]1CC[C@H]([NH2+]CC[C@@]2(O)CCOC2)C1 ZINC000404169349 420223891 /nfs/dbraw/zinc/22/38/91/420223891.db2.gz CZGUTFYBDAWWRF-QWHCGFSZSA-N 2 2 258.362 -0.162 20 0 CBADLP COCC[N@H+]1CC[C@H]([NH2+]CC[C@@]2(O)CCOC2)C1 ZINC000404169349 420223894 /nfs/dbraw/zinc/22/38/94/420223894.db2.gz CZGUTFYBDAWWRF-QWHCGFSZSA-N 2 2 258.362 -0.162 20 0 CBADLP CCO[C@@H]1C[N@@H+]([C@@H](C)C(=O)NCCCOC)C[C@H]1C[NH3+] ZINC000405475891 420228254 /nfs/dbraw/zinc/22/82/54/420228254.db2.gz WCBOUJXGQRQUCP-YNEHKIRRSA-N 2 2 287.404 -0.177 20 0 CBADLP CCO[C@@H]1C[N@H+]([C@@H](C)C(=O)NCCCOC)C[C@H]1C[NH3+] ZINC000405475891 420228259 /nfs/dbraw/zinc/22/82/59/420228259.db2.gz WCBOUJXGQRQUCP-YNEHKIRRSA-N 2 2 287.404 -0.177 20 0 CBADLP CC1(C)C[NH+](CC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000655294441 420238125 /nfs/dbraw/zinc/23/81/25/420238125.db2.gz ZEMKVTVMNFKXBL-NWDGAFQWSA-N 2 2 267.373 -0.394 20 0 CBADLP CC1(C)C[NH+](CC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000655294441 420238128 /nfs/dbraw/zinc/23/81/28/420238128.db2.gz ZEMKVTVMNFKXBL-NWDGAFQWSA-N 2 2 267.373 -0.394 20 0 CBADLP C[C@@H](C[NH3+])CNC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000417530550 420241961 /nfs/dbraw/zinc/24/19/61/420241961.db2.gz SJDRKJYIUYBCCX-QWRGUYRKSA-N 2 2 258.366 -0.399 20 0 CBADLP C[C@@H](C[NH3+])CNC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000417530550 420241966 /nfs/dbraw/zinc/24/19/66/420241966.db2.gz SJDRKJYIUYBCCX-QWRGUYRKSA-N 2 2 258.366 -0.399 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000419878373 420246484 /nfs/dbraw/zinc/24/64/84/420246484.db2.gz QLYQQTDMPOQADV-NEPJUHHUSA-N 2 2 282.388 -0.463 20 0 CBADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655410319 420246760 /nfs/dbraw/zinc/24/67/60/420246760.db2.gz ZQMAMKVKIWLLKR-FPMFFAJLSA-N 2 2 290.367 -0.277 20 0 CBADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655410319 420246762 /nfs/dbraw/zinc/24/67/62/420246762.db2.gz ZQMAMKVKIWLLKR-FPMFFAJLSA-N 2 2 290.367 -0.277 20 0 CBADLP O=C(NCCN1CC[NH2+]CC1)[C@H]1CCc2[nH+]ccn2C1 ZINC000655413155 420246780 /nfs/dbraw/zinc/24/67/80/420246780.db2.gz MZUGHHLKTMOPTB-LBPRGKRZSA-N 2 2 277.372 -0.533 20 0 CBADLP C[NH2+]C[C@@H](C)CNc1cc(NC[C@H](C)O)nc[nH+]1 ZINC000420202046 420249186 /nfs/dbraw/zinc/24/91/86/420249186.db2.gz NTJYEBAWOMJUHD-ZJUUUORDSA-N 2 2 253.350 0.537 20 0 CBADLP C[NH2+]C[C@@H](C)CNc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000420202046 420249192 /nfs/dbraw/zinc/24/91/92/420249192.db2.gz NTJYEBAWOMJUHD-ZJUUUORDSA-N 2 2 253.350 0.537 20 0 CBADLP C[C@H]1C[NH2+]CCN1c1cc(-n2cccn2)nc(N)[nH+]1 ZINC000420216764 420249614 /nfs/dbraw/zinc/24/96/14/420249614.db2.gz GPUXWAIAXGJOKE-VIFPVBQESA-N 2 2 259.317 0.043 20 0 CBADLP CCOCC[NH+]1CCN(C(=O)[C@]23C[C@H]2CC[NH2+]3)CC1 ZINC000423339884 420255148 /nfs/dbraw/zinc/25/51/48/420255148.db2.gz ZWSIKIAOJXYYNS-OCCSQVGLSA-N 2 2 267.373 -0.081 20 0 CBADLP CN1CC[N@H+](C)[C@@H](CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)C1 ZINC000655917326 420275858 /nfs/dbraw/zinc/27/58/58/420275858.db2.gz PMEUKCUXQKIKPM-IUCAKERBSA-N 2 2 297.325 -0.579 20 0 CBADLP CN1CC[N@@H+](C)[C@@H](CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)C1 ZINC000655917326 420275862 /nfs/dbraw/zinc/27/58/62/420275862.db2.gz PMEUKCUXQKIKPM-IUCAKERBSA-N 2 2 297.325 -0.579 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H]3CC[C@H](O)C[C@@H]3C2)CC1 ZINC000398764905 420218910 /nfs/dbraw/zinc/21/89/10/420218910.db2.gz BNXNVSUAQIYXOH-MJBXVCDLSA-N 2 2 281.400 -0.147 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2C[C@@H]3CC[C@H](O)C[C@@H]3C2)CC1 ZINC000398764905 420218916 /nfs/dbraw/zinc/21/89/16/420218916.db2.gz BNXNVSUAQIYXOH-MJBXVCDLSA-N 2 2 281.400 -0.147 20 0 CBADLP CN(CC(C)(C)[NH3+])C(=O)NCC[NH+]1CCOCC1 ZINC000656474412 420311799 /nfs/dbraw/zinc/31/17/99/420311799.db2.gz VGDNLNSUNRIYIU-UHFFFAOYSA-N 2 2 258.366 -0.303 20 0 CBADLP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493290132 420315130 /nfs/dbraw/zinc/31/51/30/420315130.db2.gz IQPQJVVMLZRNNN-ZWNMCFTASA-N 2 2 291.355 -0.121 20 0 CBADLP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493290132 420315133 /nfs/dbraw/zinc/31/51/33/420315133.db2.gz IQPQJVVMLZRNNN-ZWNMCFTASA-N 2 2 291.355 -0.121 20 0 CBADLP C[NH+]1CCN(C[C@H]2C[N@H+]([C@@H]3CCC[C@H]3O)CCO2)CC1 ZINC000656696397 420317942 /nfs/dbraw/zinc/31/79/42/420317942.db2.gz DGGARDFIMVOFGK-RRFJBIMHSA-N 2 2 283.416 -0.152 20 0 CBADLP COC(=O)N1CC([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000496791141 420326781 /nfs/dbraw/zinc/32/67/81/420326781.db2.gz DVKRBPLPPRNWIA-LLVKDONJSA-N 2 2 257.334 -0.518 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)c1c[nH]cn1 ZINC000657092242 420341975 /nfs/dbraw/zinc/34/19/75/420341975.db2.gz RTPSIVBPLLZLSZ-UHFFFAOYSA-N 2 2 289.405 -0.429 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)c1c[nH]cn1 ZINC000657092242 420341981 /nfs/dbraw/zinc/34/19/81/420341981.db2.gz RTPSIVBPLLZLSZ-UHFFFAOYSA-N 2 2 289.405 -0.429 20 0 CBADLP CN(C)C(=O)O[C@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000497165027 420342549 /nfs/dbraw/zinc/34/25/49/420342549.db2.gz KFROPFRRIVSDRO-LBPRGKRZSA-N 2 2 298.387 -0.467 20 0 CBADLP CN(C)C(=O)O[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000497165027 420342553 /nfs/dbraw/zinc/34/25/53/420342553.db2.gz KFROPFRRIVSDRO-LBPRGKRZSA-N 2 2 298.387 -0.467 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+]Cc2cn(C3CCC3)nn2)CC1 ZINC000657334108 420352093 /nfs/dbraw/zinc/35/20/93/420352093.db2.gz MLXYYMZUYHFUSS-UHFFFAOYSA-N 2 2 292.387 -0.133 20 0 CBADLP CS(=O)(=O)N1CC[C@@H]([NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000657500782 420354152 /nfs/dbraw/zinc/35/41/52/420354152.db2.gz MLFWMFCLRAJLAA-SNVBAGLBSA-N 2 2 284.385 -0.047 20 0 CBADLP CC[NH2+]CCCNC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000516635837 420361407 /nfs/dbraw/zinc/36/14/07/420361407.db2.gz VJJNBZUVEWFWOO-UHFFFAOYSA-N 2 2 282.388 -0.591 20 0 CBADLP C[N@@H+]1CCN(C(=O)[C@H]2CC23CC[NH2+]CC3)[C@@H](C[NH3+])C1 ZINC000516648837 420361879 /nfs/dbraw/zinc/36/18/79/420361879.db2.gz ATMZFJLGBBTDHT-NWDGAFQWSA-N 3 2 266.389 -0.523 20 0 CBADLP C[N@H+]1CCN(C(=O)[C@H]2CC23CC[NH2+]CC3)[C@@H](C[NH3+])C1 ZINC000516648837 420361882 /nfs/dbraw/zinc/36/18/82/420361882.db2.gz ATMZFJLGBBTDHT-NWDGAFQWSA-N 3 2 266.389 -0.523 20 0 CBADLP Cc1nc(N(C)C)nc(NC[C@@](C)(O)C[NH+](C)C)[nH+]1 ZINC000443707437 420291025 /nfs/dbraw/zinc/29/10/25/420291025.db2.gz JSJIRCQSWJNSQC-GFCCVEGCSA-N 2 2 268.365 -0.029 20 0 CBADLP Cc1nc(NC[C@@](C)(O)C[NH+](C)C)nc(N(C)C)[nH+]1 ZINC000443707437 420291027 /nfs/dbraw/zinc/29/10/27/420291027.db2.gz JSJIRCQSWJNSQC-GFCCVEGCSA-N 2 2 268.365 -0.029 20 0 CBADLP Cc1nc(N[C@H]2CCC[N@H+](CCCO)C2)nc(N(C)C)[nH+]1 ZINC000450613259 420300256 /nfs/dbraw/zinc/30/02/56/420300256.db2.gz LIBRTEDEPBRVCW-LBPRGKRZSA-N 2 2 294.403 0.505 20 0 CBADLP Cc1nc(N[C@H]2CCC[N@@H+](CCCO)C2)nc(N(C)C)[nH+]1 ZINC000450613259 420300263 /nfs/dbraw/zinc/30/02/63/420300263.db2.gz LIBRTEDEPBRVCW-LBPRGKRZSA-N 2 2 294.403 0.505 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC([C@@H]2CCOC2)C1 ZINC000656151713 420300415 /nfs/dbraw/zinc/30/04/15/420300415.db2.gz BZNMQFMPOLCRCN-TZMCWYRMSA-N 2 2 272.389 -0.106 20 0 CBADLP C[C@H](C[NH2+]C[C@@H](O)Cn1cccn1)C[NH+]1CCOCC1 ZINC000517359672 420376596 /nfs/dbraw/zinc/37/65/96/420376596.db2.gz LIHAFEBYORZLRM-ZIAGYGMSSA-N 2 2 282.388 -0.198 20 0 CBADLP CCC(CC)NC(=O)[C@H](C)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000519659216 420385640 /nfs/dbraw/zinc/38/56/40/420385640.db2.gz XGOXPOHYSXCFIJ-DRZSPHRISA-N 2 2 296.415 -0.077 20 0 CBADLP CCC(CC)NC(=O)[C@H](C)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000519659216 420385645 /nfs/dbraw/zinc/38/56/45/420385645.db2.gz XGOXPOHYSXCFIJ-DRZSPHRISA-N 2 2 296.415 -0.077 20 0 CBADLP CCC(CC)NC(=O)[C@H](C)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000519659224 420386811 /nfs/dbraw/zinc/38/68/11/420386811.db2.gz XGOXPOHYSXCFIJ-UHTWSYAYSA-N 2 2 296.415 -0.077 20 0 CBADLP CCC(CC)NC(=O)[C@H](C)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000519659224 420386814 /nfs/dbraw/zinc/38/68/14/420386814.db2.gz XGOXPOHYSXCFIJ-UHTWSYAYSA-N 2 2 296.415 -0.077 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC000520394100 420390362 /nfs/dbraw/zinc/39/03/62/420390362.db2.gz HPXXXBHQYPRHCV-BETUJISGSA-N 2 2 294.399 -0.497 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH2+]C1(C(N)=O)CCCCC1 ZINC000520327128 420390931 /nfs/dbraw/zinc/39/09/31/420390931.db2.gz XPRYUZDUYAWTNW-LBPRGKRZSA-N 2 2 287.404 -0.297 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH2+]C1(C(N)=O)CCCCC1 ZINC000520327128 420390935 /nfs/dbraw/zinc/39/09/35/420390935.db2.gz XPRYUZDUYAWTNW-LBPRGKRZSA-N 2 2 287.404 -0.297 20 0 CBADLP Cc1nc(N)c(CNC(=O)[C@H]2C[N@@H+]3CCN2CCC3)c[nH+]1 ZINC000522004045 420393516 /nfs/dbraw/zinc/39/35/16/420393516.db2.gz JSSMEWKJBNEZBJ-GFCCVEGCSA-N 2 2 290.371 -0.627 20 0 CBADLP Cc1nc(N)c(CNC(=O)[C@H]2C[N@H+]3CCN2CCC3)c[nH+]1 ZINC000522004045 420393521 /nfs/dbraw/zinc/39/35/21/420393521.db2.gz JSSMEWKJBNEZBJ-GFCCVEGCSA-N 2 2 290.371 -0.627 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+]Cc2ccc(CO)o2)CC1 ZINC000674238200 544898931 /nfs/dbraw/zinc/89/89/31/544898931.db2.gz SZTATHBWIMCXFA-UHFFFAOYSA-N 2 2 267.329 -0.365 20 0 CBADLP CC(C)n1cc(C[NH2+]CC(=O)N2CC[NH+](C)CC2)nn1 ZINC000673600987 544882066 /nfs/dbraw/zinc/88/20/66/544882066.db2.gz ZBVIMIWCKSHTFU-UHFFFAOYSA-N 2 2 280.376 -0.277 20 0 CBADLP C[NH+]1CCN(C(=O)CCNC(=O)Cn2cc[nH+]c2)CC1 ZINC000673669561 544883404 /nfs/dbraw/zinc/88/34/04/544883404.db2.gz MPIARZRLIOVODX-UHFFFAOYSA-N 2 2 279.344 -0.837 20 0 CBADLP CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000673673896 544885149 /nfs/dbraw/zinc/88/51/49/544885149.db2.gz RTWVQFLRIMUPNL-NEPJUHHUSA-N 2 2 271.361 -0.846 20 0 CBADLP CC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000673673896 544885153 /nfs/dbraw/zinc/88/51/53/544885153.db2.gz RTWVQFLRIMUPNL-NEPJUHHUSA-N 2 2 271.361 -0.846 20 0 CBADLP CC[NH+]1CCO[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000673673896 544885156 /nfs/dbraw/zinc/88/51/56/544885156.db2.gz RTWVQFLRIMUPNL-NEPJUHHUSA-N 2 2 271.361 -0.846 20 0 CBADLP CC[NH+]1CCO[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000673673896 544885160 /nfs/dbraw/zinc/88/51/60/544885160.db2.gz RTWVQFLRIMUPNL-NEPJUHHUSA-N 2 2 271.361 -0.846 20 0 CBADLP C[N@@H+]1CC[C@H](C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000676341416 544948255 /nfs/dbraw/zinc/94/82/55/544948255.db2.gz RLCQJHCUWQOQQM-QWHCGFSZSA-N 2 2 267.373 -0.129 20 0 CBADLP C[N@H+]1CC[C@H](C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000676341416 544948258 /nfs/dbraw/zinc/94/82/58/544948258.db2.gz RLCQJHCUWQOQQM-QWHCGFSZSA-N 2 2 267.373 -0.129 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000676389436 544949817 /nfs/dbraw/zinc/94/98/17/544949817.db2.gz JORWQZNRUHTPHO-LBPRGKRZSA-N 2 2 264.329 -0.184 20 0 CBADLP C[C@H](NC(=O)Cn1cc[nH+]c1)[C@H]1C[N@H+](C)CCO1 ZINC000676402069 544950771 /nfs/dbraw/zinc/95/07/71/544950771.db2.gz IZGVKXDRYMQFFA-WDEREUQCSA-N 2 2 252.318 -0.282 20 0 CBADLP C[C@H](NC(=O)Cn1cc[nH+]c1)[C@H]1C[N@@H+](C)CCO1 ZINC000676402069 544950773 /nfs/dbraw/zinc/95/07/73/544950773.db2.gz IZGVKXDRYMQFFA-WDEREUQCSA-N 2 2 252.318 -0.282 20 0 CBADLP COC[C@@](C)(O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000674765250 544913221 /nfs/dbraw/zinc/91/32/21/544913221.db2.gz WWUNSISNBQISEG-IUODEOHRSA-N 2 2 299.415 -0.332 20 0 CBADLP COC[C@@](C)(O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000674765250 544913225 /nfs/dbraw/zinc/91/32/25/544913225.db2.gz WWUNSISNBQISEG-IUODEOHRSA-N 2 2 299.415 -0.332 20 0 CBADLP C[C@@H]1CN(C)C[C@@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000674878191 544920960 /nfs/dbraw/zinc/92/09/60/544920960.db2.gz GWDVDBRZJIECLK-NEPJUHHUSA-N 2 2 254.378 -0.700 20 0 CBADLP C[C@H](NC(=O)NCc1[nH+]ccn1C)[C@H]1C[N@H+](C)CCO1 ZINC000676245400 544945591 /nfs/dbraw/zinc/94/55/91/544945591.db2.gz ILLJSJKMFIGRMZ-WDEREUQCSA-N 2 2 281.360 -0.062 20 0 CBADLP C[C@H](NC(=O)NCc1[nH+]ccn1C)[C@H]1C[N@@H+](C)CCO1 ZINC000676245400 544945596 /nfs/dbraw/zinc/94/55/96/544945596.db2.gz ILLJSJKMFIGRMZ-WDEREUQCSA-N 2 2 281.360 -0.062 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC2CC1(C[NH3+])C2 ZINC000659436621 420419265 /nfs/dbraw/zinc/41/92/65/420419265.db2.gz WIVORLGMMOTQMK-LKSINWNRSA-N 2 2 282.388 -0.160 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N1CC2CC1(C[NH3+])C2 ZINC000659451644 420419821 /nfs/dbraw/zinc/41/98/21/420419821.db2.gz UIMNTBHUOGKRBZ-DCBWTQNWSA-N 2 2 282.388 -0.160 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)N1CC2CC1(C[NH3+])C2 ZINC000659451644 420419824 /nfs/dbraw/zinc/41/98/24/420419824.db2.gz UIMNTBHUOGKRBZ-DCBWTQNWSA-N 2 2 282.388 -0.160 20 0 CBADLP CC(C)[C@H]([NH3+])CCNC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000659452516 420420416 /nfs/dbraw/zinc/42/04/16/420420416.db2.gz CLJKMOCHCOBJBB-QWHCGFSZSA-N 2 2 285.436 -0.095 20 0 CBADLP CC(C)[C@H]([NH3+])CCNC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000659452516 420420420 /nfs/dbraw/zinc/42/04/20/420420420.db2.gz CLJKMOCHCOBJBB-QWHCGFSZSA-N 2 2 285.436 -0.095 20 0 CBADLP C[C@H](NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)[C@H]1C[N@H+](C)CCO1 ZINC000659471146 420421675 /nfs/dbraw/zinc/42/16/75/420421675.db2.gz OKOYMLXQZNIPBN-IRCOFANPSA-N 2 2 288.367 -0.214 20 0 CBADLP C[C@H](NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)[C@H]1C[N@@H+](C)CCO1 ZINC000659471146 420421677 /nfs/dbraw/zinc/42/16/77/420421677.db2.gz OKOYMLXQZNIPBN-IRCOFANPSA-N 2 2 288.367 -0.214 20 0 CBADLP C[C@@H](NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)[C@@H]1C[N@H+](C)CCO1 ZINC000659471147 420421819 /nfs/dbraw/zinc/42/18/19/420421819.db2.gz OKOYMLXQZNIPBN-KKOKHZNYSA-N 2 2 288.367 -0.214 20 0 CBADLP C[C@@H](NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000659471147 420421822 /nfs/dbraw/zinc/42/18/22/420421822.db2.gz OKOYMLXQZNIPBN-KKOKHZNYSA-N 2 2 288.367 -0.214 20 0 CBADLP C[N@@H+]1CC[C@H](C(=O)N(CCO)CC[NH+]2CCOCC2)C1 ZINC000677443303 544975546 /nfs/dbraw/zinc/97/55/46/544975546.db2.gz OIXLGVOUUJRCRF-ZDUSSCGKSA-N 2 2 285.388 -0.909 20 0 CBADLP C[N@H+]1CC[C@H](C(=O)N(CCO)CC[NH+]2CCOCC2)C1 ZINC000677443303 544975549 /nfs/dbraw/zinc/97/55/49/544975549.db2.gz OIXLGVOUUJRCRF-ZDUSSCGKSA-N 2 2 285.388 -0.909 20 0 CBADLP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659357207 420414544 /nfs/dbraw/zinc/41/45/44/420414544.db2.gz DNZLTBBWLHIHHZ-AVGNSLFASA-N 2 2 267.373 -0.083 20 0 CBADLP COC[C@]1(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CC[NH2+]C1 ZINC000659356962 420415301 /nfs/dbraw/zinc/41/53/01/420415301.db2.gz AWRMCRVWFOFNGC-HIFRSBDPSA-N 2 2 297.399 -0.454 20 0 CBADLP CC1(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C[NH2+]C1 ZINC000659359013 420416511 /nfs/dbraw/zinc/41/65/11/420416511.db2.gz VPJATPPIJABNCL-NSHDSACASA-N 2 2 253.346 -0.471 20 0 CBADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1cnn(C)c1 ZINC000311688324 230221484 /nfs/dbraw/zinc/22/14/84/230221484.db2.gz OHOQBYVMQZXVGA-LLVKDONJSA-N 2 2 265.361 -0.155 20 0 CBADLP O=C(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)N1CCOC[C@H]1C1CC1 ZINC000677980861 545010392 /nfs/dbraw/zinc/01/03/92/545010392.db2.gz LSJXHXZNJCCPHA-IHRRRGAJSA-N 2 2 279.384 -0.225 20 0 CBADLP Cc1[nH+]ccn1CC[NH+]1CCN(CC(=O)N(C)C)CC1 ZINC000677983386 545010814 /nfs/dbraw/zinc/01/08/14/545010814.db2.gz YPXJZPPZGSXEFF-UHFFFAOYSA-N 2 2 279.388 -0.103 20 0 CBADLP CNC(=O)CC[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000678081673 545013021 /nfs/dbraw/zinc/01/30/21/545013021.db2.gz XQUSUFKMSVYRQH-LBPRGKRZSA-N 2 2 282.388 -0.463 20 0 CBADLP CNC(=O)CC[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000678081673 545013022 /nfs/dbraw/zinc/01/30/22/545013022.db2.gz XQUSUFKMSVYRQH-LBPRGKRZSA-N 2 2 282.388 -0.463 20 0 CBADLP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](CCCO)CC1 ZINC000678079945 545013185 /nfs/dbraw/zinc/01/31/85/545013185.db2.gz IIGHABXBZVCLLV-LBPRGKRZSA-N 2 2 255.362 -0.217 20 0 CBADLP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](CCCO)CC1 ZINC000678079945 545013186 /nfs/dbraw/zinc/01/31/86/545013186.db2.gz IIGHABXBZVCLLV-LBPRGKRZSA-N 2 2 255.362 -0.217 20 0 CBADLP O=C(NCC[NH2+]C1CC1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659511058 420425478 /nfs/dbraw/zinc/42/54/78/420425478.db2.gz UTBSOZWMHWCBDI-CYBMUJFWSA-N 2 2 282.388 -0.146 20 0 CBADLP C[C@@H]1CN(C(=O)CN2CC[NH+](C)CC2)[C@@H](C)C[N@@H+]1C ZINC000678180461 545013888 /nfs/dbraw/zinc/01/38/88/545013888.db2.gz XNCAWKVVQGMTEB-OLZOCXBDSA-N 2 2 268.405 -0.215 20 0 CBADLP C[C@@H]1CN(C(=O)CN2CC[NH+](C)CC2)[C@@H](C)C[N@H+]1C ZINC000678180461 545013889 /nfs/dbraw/zinc/01/38/89/545013889.db2.gz XNCAWKVVQGMTEB-OLZOCXBDSA-N 2 2 268.405 -0.215 20 0 CBADLP C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)CN1CC[NH+](C)CC1 ZINC000678427995 545016009 /nfs/dbraw/zinc/01/60/09/545016009.db2.gz GDOPEALIFZMAOO-QWHCGFSZSA-N 2 2 268.405 -0.215 20 0 CBADLP C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)CN1CC[NH+](C)CC1 ZINC000678427995 545016010 /nfs/dbraw/zinc/01/60/10/545016010.db2.gz GDOPEALIFZMAOO-QWHCGFSZSA-N 2 2 268.405 -0.215 20 0 CBADLP C[C@H](NC(=O)NCC(=O)N1CC[NH2+]CC1)c1[nH+]ccn1C ZINC000659507874 420426251 /nfs/dbraw/zinc/42/62/51/420426251.db2.gz LNOKKXXTEUEPGS-JTQLQIEISA-N 2 2 294.359 -0.788 20 0 CBADLP O=C(N[C@H]1CCC[NH2+]C1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659517891 420427640 /nfs/dbraw/zinc/42/76/40/420427640.db2.gz UNIARKYZTXTYGT-STQMWFEESA-N 2 2 282.388 -0.146 20 0 CBADLP C[C@H](C[NH3+])CNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659527908 420428129 /nfs/dbraw/zinc/42/81/29/420428129.db2.gz XXIDCWYMRGODOE-NEPJUHHUSA-N 2 2 270.377 -0.303 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+]CC(C)(C)N2CCOCC2)CC1 ZINC000678988983 545023481 /nfs/dbraw/zinc/02/34/81/545023481.db2.gz DBFURIWYHHXPRK-UHFFFAOYSA-N 2 2 298.431 -0.539 20 0 CBADLP C[C@@H](C(=O)N1CC[NH+](C(C)(C)CO)CC1)[NH+](C)C ZINC000679315803 545026786 /nfs/dbraw/zinc/02/67/86/545026786.db2.gz JCKZQMBHDHKHLR-NSHDSACASA-N 2 2 257.378 -0.148 20 0 CBADLP C[C@H]([NH3+])CNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659537102 420431583 /nfs/dbraw/zinc/43/15/83/420431583.db2.gz JJINWKPWZLRQDH-QWRGUYRKSA-N 2 2 256.350 -0.550 20 0 CBADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccnn1C ZINC000683690993 545066881 /nfs/dbraw/zinc/06/68/81/545066881.db2.gz SISQSBAVWZUABF-NSHDSACASA-N 2 2 265.361 -0.155 20 0 CBADLP C=Cn1cc(C[NH2+]CC(=O)N2CC[NH+](C)CC2)cn1 ZINC000683705682 545067034 /nfs/dbraw/zinc/06/70/34/545067034.db2.gz XLFGIEXTUOJSDC-UHFFFAOYSA-N 2 2 263.345 -0.153 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)CN1CC[NH+](C)CC1 ZINC000684070321 545070525 /nfs/dbraw/zinc/07/05/25/545070525.db2.gz FNZRUXYDZPZLTO-AWEZNQCLSA-N 2 2 298.431 -0.587 20 0 CBADLP C[N@@H+]1CCN(C(=O)NCC23CC(C2)C[NH2+]3)[C@@H](C[NH3+])C1 ZINC000659612476 420437817 /nfs/dbraw/zinc/43/78/17/420437817.db2.gz VYBQRXPTSNLENW-AKJDGMEZSA-N 3 2 267.377 -0.977 20 0 CBADLP C[N@H+]1CCN(C(=O)NCC23CC(C2)C[NH2+]3)[C@@H](C[NH3+])C1 ZINC000659612476 420437821 /nfs/dbraw/zinc/43/78/21/420437821.db2.gz VYBQRXPTSNLENW-AKJDGMEZSA-N 3 2 267.377 -0.977 20 0 CBADLP C[C@@H](NC(=O)N1CCN(C)C[C@H]1C[NH3+])c1[nH+]ccn1C ZINC000659628328 420438424 /nfs/dbraw/zinc/43/84/24/420438424.db2.gz OQEQYSSCKVMMII-GHMZBOCLSA-N 2 2 280.376 -0.235 20 0 CBADLP Nc1cc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)ccn1 ZINC000564227425 420438614 /nfs/dbraw/zinc/43/86/14/420438614.db2.gz OBPHWDJBDDKZCA-GHMZBOCLSA-N 2 2 261.329 -0.592 20 0 CBADLP Nc1cc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)ccn1 ZINC000564227425 420438617 /nfs/dbraw/zinc/43/86/17/420438617.db2.gz OBPHWDJBDDKZCA-GHMZBOCLSA-N 2 2 261.329 -0.592 20 0 CBADLP CC(C)[C@H]([NH3+])CCNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000659619626 420439153 /nfs/dbraw/zinc/43/91/53/420439153.db2.gz QDHWXUGJJFEQOP-NWDGAFQWSA-N 3 2 271.409 -0.356 20 0 CBADLP CC(C)[C@H]([NH3+])CCNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000659619626 420439155 /nfs/dbraw/zinc/43/91/55/420439155.db2.gz QDHWXUGJJFEQOP-NWDGAFQWSA-N 3 2 271.409 -0.356 20 0 CBADLP C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[N@@H+]1CCO ZINC000681760471 545051209 /nfs/dbraw/zinc/05/12/09/545051209.db2.gz DAZJYQQZFVWCBU-NSHDSACASA-N 2 2 252.318 -0.592 20 0 CBADLP C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[N@H+]1CCO ZINC000681760471 545051210 /nfs/dbraw/zinc/05/12/10/545051210.db2.gz DAZJYQQZFVWCBU-NSHDSACASA-N 2 2 252.318 -0.592 20 0 CBADLP Cn1ncc(Cl)c1C[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000681981937 545052574 /nfs/dbraw/zinc/05/25/74/545052574.db2.gz RGSHCDYIEODYRX-UHFFFAOYSA-N 2 2 285.779 -0.063 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](CCO)C(C)(C)C2)C1 ZINC000682006529 545052860 /nfs/dbraw/zinc/05/28/60/545052860.db2.gz MDXRCUKGVVQDEQ-LBPRGKRZSA-N 2 2 285.388 -0.768 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N2CC[NH+](CCO)C(C)(C)C2)C1 ZINC000682006529 545052861 /nfs/dbraw/zinc/05/28/61/545052861.db2.gz MDXRCUKGVVQDEQ-LBPRGKRZSA-N 2 2 285.388 -0.768 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N2CC[N@H+](CCO)C(C)(C)C2)C1 ZINC000682006529 545052862 /nfs/dbraw/zinc/05/28/62/545052862.db2.gz MDXRCUKGVVQDEQ-LBPRGKRZSA-N 2 2 285.388 -0.768 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)C1 ZINC000682006529 545052863 /nfs/dbraw/zinc/05/28/63/545052863.db2.gz MDXRCUKGVVQDEQ-LBPRGKRZSA-N 2 2 285.388 -0.768 20 0 CBADLP C[NH2+]C[C@H](C)NC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000659636245 420441876 /nfs/dbraw/zinc/44/18/76/420441876.db2.gz VCMSDPBKPZLLBJ-NWDGAFQWSA-N 2 2 272.393 -0.044 20 0 CBADLP CC[N@H+](CCO)CC[NH2+]CCC(=O)Nc1cc(C)on1 ZINC000565595865 420443372 /nfs/dbraw/zinc/44/33/72/420443372.db2.gz CZQRCMDIDOFYJC-UHFFFAOYSA-N 2 2 284.360 0.215 20 0 CBADLP CC[N@@H+](CCO)CC[NH2+]CCC(=O)Nc1cc(C)on1 ZINC000565595865 420443378 /nfs/dbraw/zinc/44/33/78/420443378.db2.gz CZQRCMDIDOFYJC-UHFFFAOYSA-N 2 2 284.360 0.215 20 0 CBADLP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000659693914 420450687 /nfs/dbraw/zinc/45/06/87/420450687.db2.gz DFRYJYYIHCMOSM-SNVBAGLBSA-N 2 2 293.371 -0.512 20 0 CBADLP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCCCNc1cccc[nH+]1 ZINC000659703233 420453380 /nfs/dbraw/zinc/45/33/80/420453380.db2.gz XXNHWASEXXOBMN-LLVKDONJSA-N 2 2 293.371 -0.276 20 0 CBADLP [NH3+][C@@H]1CN(C(=O)C(=O)NCCCn2cc[nH+]c2)CC[C@H]1F ZINC000659706335 420453473 /nfs/dbraw/zinc/45/34/73/420453473.db2.gz LQCOZHRDUNVAMW-GHMZBOCLSA-N 2 2 297.334 -0.713 20 0 CBADLP Cc1nc(N)c(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)c[nH+]1 ZINC000572563012 420456707 /nfs/dbraw/zinc/45/67/07/420456707.db2.gz LNHMZZGPNKNSRQ-JTQLQIEISA-N 2 2 293.371 -0.048 20 0 CBADLP O=C(NCC12CC(C1)C[NH2+]2)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000659742135 420464656 /nfs/dbraw/zinc/46/46/56/420464656.db2.gz ZFFPAQNQLIHNQJ-UHFFFAOYSA-N 2 2 292.383 -0.839 20 0 CBADLP COc1c(N)[nH+]cnc1NC[C@H]1CCC[N@@H+]1CCCO ZINC000577650356 420465321 /nfs/dbraw/zinc/46/53/21/420465321.db2.gz OMZWNULRZDKQGN-SNVBAGLBSA-N 2 2 281.360 0.326 20 0 CBADLP COc1c(N)[nH+]cnc1NC[C@H]1CCC[N@H+]1CCCO ZINC000577650356 420465324 /nfs/dbraw/zinc/46/53/24/420465324.db2.gz OMZWNULRZDKQGN-SNVBAGLBSA-N 2 2 281.360 0.326 20 0 CBADLP Cn1c[nH+]c(CN2CCN(C(=O)C[NH+](C)C)CC2)c1 ZINC000659837820 420473156 /nfs/dbraw/zinc/47/31/56/420473156.db2.gz JLSZOYHIQUHZRG-UHFFFAOYSA-N 2 2 265.361 -0.374 20 0 CBADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1CS(N)(=O)=O ZINC000660075153 420482873 /nfs/dbraw/zinc/48/28/73/420482873.db2.gz BYHRWLPICZDIFY-RYUDHWBXSA-N 2 2 293.433 -0.560 20 0 CBADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1CS(N)(=O)=O ZINC000660075153 420482876 /nfs/dbraw/zinc/48/28/76/420482876.db2.gz BYHRWLPICZDIFY-RYUDHWBXSA-N 2 2 293.433 -0.560 20 0 CBADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000660075153 420482878 /nfs/dbraw/zinc/48/28/78/420482878.db2.gz BYHRWLPICZDIFY-RYUDHWBXSA-N 2 2 293.433 -0.560 20 0 CBADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000660075153 420482880 /nfs/dbraw/zinc/48/28/80/420482880.db2.gz BYHRWLPICZDIFY-RYUDHWBXSA-N 2 2 293.433 -0.560 20 0 CBADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCNC(=O)C[C@H]1C ZINC000660144657 420484490 /nfs/dbraw/zinc/48/44/90/420484490.db2.gz FUSRDFDQRAJNKL-VXGBXAGGSA-N 2 2 257.378 -0.102 20 0 CBADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCNC(=O)C[C@H]1C ZINC000660144657 420484491 /nfs/dbraw/zinc/48/44/91/420484491.db2.gz FUSRDFDQRAJNKL-VXGBXAGGSA-N 2 2 257.378 -0.102 20 0 CBADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCNC(=O)C[C@H]1C ZINC000660144657 420484492 /nfs/dbraw/zinc/48/44/92/420484492.db2.gz FUSRDFDQRAJNKL-VXGBXAGGSA-N 2 2 257.378 -0.102 20 0 CBADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCNC(=O)C[C@H]1C ZINC000660144657 420484494 /nfs/dbraw/zinc/48/44/94/420484494.db2.gz FUSRDFDQRAJNKL-VXGBXAGGSA-N 2 2 257.378 -0.102 20 0 CBADLP NC(=O)c1cccc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c1 ZINC000517395436 260183093 /nfs/dbraw/zinc/18/30/93/260183093.db2.gz JALURSUGCVNHMS-CHWSQXEVSA-N 2 2 288.351 -0.471 20 0 CBADLP NC(=O)c1cccc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c1 ZINC000517395436 260183095 /nfs/dbraw/zinc/18/30/95/260183095.db2.gz JALURSUGCVNHMS-CHWSQXEVSA-N 2 2 288.351 -0.471 20 0 CBADLP CC[NH+](CC)CC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000082983894 260345319 /nfs/dbraw/zinc/34/53/19/260345319.db2.gz YRXWLIQJBRUNJZ-ZDUSSCGKSA-N 2 2 287.404 -0.520 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(CC(N)=O)CC1 ZINC000311002935 262188419 /nfs/dbraw/zinc/18/84/19/262188419.db2.gz IRNBWJZMBSDPKX-LBPRGKRZSA-N 2 2 257.378 -0.114 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(CC(N)=O)CC1 ZINC000311002935 262188420 /nfs/dbraw/zinc/18/84/20/262188420.db2.gz IRNBWJZMBSDPKX-LBPRGKRZSA-N 2 2 257.378 -0.114 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)C2([NH3+])CCC2)CC1 ZINC000519151195 265339740 /nfs/dbraw/zinc/33/97/40/265339740.db2.gz JBPPHXGRDWVDPX-UHFFFAOYSA-N 2 2 268.361 -0.852 20 0 CBADLP Cn1cc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)nn1 ZINC000685191030 545080161 /nfs/dbraw/zinc/08/01/61/545080161.db2.gz AEMGRDINJDDBRN-NSHDSACASA-N 2 2 292.387 -0.287 20 0 CBADLP Cn1cc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)nn1 ZINC000685191030 545080163 /nfs/dbraw/zinc/08/01/63/545080163.db2.gz AEMGRDINJDDBRN-NSHDSACASA-N 2 2 292.387 -0.287 20 0 CBADLP CC[N@@H+]1CC[C@@H]2OCCN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@H]2C1 ZINC000355360100 276218473 /nfs/dbraw/zinc/21/84/73/276218473.db2.gz GOANPOXBYKVCML-IHRRRGAJSA-N 2 2 297.399 -0.361 20 0 CBADLP CC[N@H+]1CC[C@@H]2OCCN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@H]2C1 ZINC000355360100 276218475 /nfs/dbraw/zinc/21/84/75/276218475.db2.gz GOANPOXBYKVCML-IHRRRGAJSA-N 2 2 297.399 -0.361 20 0 CBADLP CC[NH+]1CC[C@@H]2OCCN(C(=O)[C@@H]3C[N@H+](C)CCO3)[C@H]2C1 ZINC000355360100 276218476 /nfs/dbraw/zinc/21/84/76/276218476.db2.gz GOANPOXBYKVCML-IHRRRGAJSA-N 2 2 297.399 -0.361 20 0 CBADLP CC[NH+]1CC[C@@H]2OCCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)[C@H]2C1 ZINC000355360100 276218477 /nfs/dbraw/zinc/21/84/77/276218477.db2.gz GOANPOXBYKVCML-IHRRRGAJSA-N 2 2 297.399 -0.361 20 0 CBADLP C[N@@H+]1CC[C@@H]2OCCN(C(=O)[C@@H]3CC(F)(F)C[NH2+]3)[C@@H]2C1 ZINC000423935061 277150950 /nfs/dbraw/zinc/15/09/50/277150950.db2.gz YDFJFIGVRNKDAP-AXFHLTTASA-N 2 2 289.326 -0.085 20 0 CBADLP C[N@H+]1CC[C@@H]2OCCN(C(=O)[C@@H]3CC(F)(F)C[NH2+]3)[C@@H]2C1 ZINC000423935061 277150951 /nfs/dbraw/zinc/15/09/51/277150951.db2.gz YDFJFIGVRNKDAP-AXFHLTTASA-N 2 2 289.326 -0.085 20 0 CBADLP CN1CC[C@H]([N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)C1=O ZINC000129495814 277164225 /nfs/dbraw/zinc/16/42/25/277164225.db2.gz KGSWDWSLINURRB-OLZOCXBDSA-N 2 2 267.373 -0.129 20 0 CBADLP CN1CC[C@H]([N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)C1=O ZINC000129495814 277164226 /nfs/dbraw/zinc/16/42/26/277164226.db2.gz KGSWDWSLINURRB-OLZOCXBDSA-N 2 2 267.373 -0.129 20 0 CBADLP CO[C@H]1C[NH+](CC(=O)N2CC[NH+](C)CC2)C[C@@H]1OC ZINC000487999306 277749412 /nfs/dbraw/zinc/74/94/12/277749412.db2.gz LZBCURJEPHIECU-RYUDHWBXSA-N 2 2 271.361 -0.894 20 0 CBADLP C[C@@H]1CN(C(=O)[C@H]2C[NH+](C)CCO2)[C@@H](C)C[N@@H+]1C ZINC000351986488 288002948 /nfs/dbraw/zinc/00/29/48/288002948.db2.gz JHTWBHHPZUGJIS-GRYCIOLGSA-N 2 2 255.362 -0.132 20 0 CBADLP C[C@@H]1CN(C(=O)[C@H]2C[NH+](C)CCO2)[C@@H](C)C[N@H+]1C ZINC000351986488 288002950 /nfs/dbraw/zinc/00/29/50/288002950.db2.gz JHTWBHHPZUGJIS-GRYCIOLGSA-N 2 2 255.362 -0.132 20 0 CBADLP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)[C@@H](C)C[NH+]1C ZINC000351986488 288002952 /nfs/dbraw/zinc/00/29/52/288002952.db2.gz JHTWBHHPZUGJIS-GRYCIOLGSA-N 2 2 255.362 -0.132 20 0 CBADLP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)[C@@H](C)C[NH+]1C ZINC000351986488 288002953 /nfs/dbraw/zinc/00/29/53/288002953.db2.gz JHTWBHHPZUGJIS-GRYCIOLGSA-N 2 2 255.362 -0.132 20 0 CBADLP C[C@H](C[NH+]1CCCCC1)NC(=O)[C@H]1COCC[NH2+]1 ZINC000088358088 278186914 /nfs/dbraw/zinc/18/69/14/278186914.db2.gz LTZAEPFINFMHSG-VXGBXAGGSA-N 2 2 255.362 -0.035 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000341667319 278193167 /nfs/dbraw/zinc/19/31/67/278193167.db2.gz SADFVNYEBZNJQY-KGLIPLIRSA-N 2 2 296.415 -0.929 20 0 CBADLP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CC[NH2+][C@@H](C)C2)CC1 ZINC000423009718 278885740 /nfs/dbraw/zinc/88/57/40/278885740.db2.gz DMKSFELSYPCNPF-ZDUSSCGKSA-N 2 2 296.415 -0.393 20 0 CBADLP Cc1cn2c([nH+]1)CC[C@H](NC(=O)[C@@H]1C[NH2+]CCO1)C2 ZINC000237877995 279002035 /nfs/dbraw/zinc/00/20/35/279002035.db2.gz AAPGCRZMMYLSKA-QWRGUYRKSA-N 2 2 264.329 -0.389 20 0 CBADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)NCC(=O)OC)C1 ZINC000245449710 279037358 /nfs/dbraw/zinc/03/73/58/279037358.db2.gz NZBGLSDSIIRTMS-NEPJUHHUSA-N 2 2 285.388 -0.062 20 0 CBADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)NCC(=O)OC)C1 ZINC000245449710 279037359 /nfs/dbraw/zinc/03/73/59/279037359.db2.gz NZBGLSDSIIRTMS-NEPJUHHUSA-N 2 2 285.388 -0.062 20 0 CBADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)NCC(=O)OC)C1 ZINC000245449710 279037360 /nfs/dbraw/zinc/03/73/60/279037360.db2.gz NZBGLSDSIIRTMS-NEPJUHHUSA-N 2 2 285.388 -0.062 20 0 CBADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)NCC(=O)OC)C1 ZINC000245449710 279037361 /nfs/dbraw/zinc/03/73/61/279037361.db2.gz NZBGLSDSIIRTMS-NEPJUHHUSA-N 2 2 285.388 -0.062 20 0 CBADLP C[C@@H]1[C@@H](C)[N@H+](C)CCN1CC(=O)N1CC[NH+](C)CC1 ZINC000357610419 279082857 /nfs/dbraw/zinc/08/28/57/279082857.db2.gz NXJCQBGANRBVET-CHWSQXEVSA-N 2 2 268.405 -0.215 20 0 CBADLP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1CC(=O)N1CC[NH+](C)CC1 ZINC000357610419 279082858 /nfs/dbraw/zinc/08/28/58/279082858.db2.gz NXJCQBGANRBVET-CHWSQXEVSA-N 2 2 268.405 -0.215 20 0 CBADLP CC[C@H](O)C[NH+]1CCN(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000180518038 288110729 /nfs/dbraw/zinc/11/07/29/288110729.db2.gz UOTPNWGBGGEHCB-AWEZNQCLSA-N 2 2 298.431 -0.851 20 0 CBADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@H]1COCC[NH2+]1 ZINC000373039739 288122926 /nfs/dbraw/zinc/12/29/26/288122926.db2.gz MGABTQOBVAUHNA-ADEWGFFLSA-N 2 2 253.346 -0.426 20 0 CBADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@H]1COCC[NH2+]1 ZINC000373039739 288122928 /nfs/dbraw/zinc/12/29/28/288122928.db2.gz MGABTQOBVAUHNA-ADEWGFFLSA-N 2 2 253.346 -0.426 20 0 CBADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC000342688949 288131523 /nfs/dbraw/zinc/13/15/23/288131523.db2.gz QYDKMTICNDFGFC-RAIGVLPGSA-N 2 2 267.373 -0.084 20 0 CBADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC000342688949 288131525 /nfs/dbraw/zinc/13/15/25/288131525.db2.gz QYDKMTICNDFGFC-RAIGVLPGSA-N 2 2 267.373 -0.084 20 0 CBADLP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000342688949 288131526 /nfs/dbraw/zinc/13/15/26/288131526.db2.gz QYDKMTICNDFGFC-RAIGVLPGSA-N 2 2 267.373 -0.084 20 0 CBADLP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000342688949 288131528 /nfs/dbraw/zinc/13/15/28/288131528.db2.gz QYDKMTICNDFGFC-RAIGVLPGSA-N 2 2 267.373 -0.084 20 0 CBADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C ZINC000430569361 280107140 /nfs/dbraw/zinc/10/71/40/280107140.db2.gz HMUGBLJEEFYGBA-ZWNOBZJWSA-N 2 2 272.393 -0.458 20 0 CBADLP CC(C)[C@H](C(=O)NC[C@H]1C[NH+]2CCN1CC2)[NH+](C)C ZINC000370823993 280175778 /nfs/dbraw/zinc/17/57/78/280175778.db2.gz NNIBLWCLTDJBFK-QWHCGFSZSA-N 2 2 268.405 -0.311 20 0 CBADLP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000423590024 280276652 /nfs/dbraw/zinc/27/66/52/280276652.db2.gz AXMNEKOMNNEILR-GFCCVEGCSA-N 2 2 284.404 -0.408 20 0 CBADLP O=C1NC(=O)N2CC[N@H+](C[C@H]3CCC[NH2+]C3)C[C@@H]12 ZINC000346979000 280279108 /nfs/dbraw/zinc/27/91/08/280279108.db2.gz LNZPBSFHKYCHBX-UWVGGRQHSA-N 2 2 252.318 -0.778 20 0 CBADLP O=C1NC(=O)N2CC[N@@H+](C[C@H]3CCC[NH2+]C3)C[C@@H]12 ZINC000346979000 280279110 /nfs/dbraw/zinc/27/91/10/280279110.db2.gz LNZPBSFHKYCHBX-UWVGGRQHSA-N 2 2 252.318 -0.778 20 0 CBADLP C[NH+](C)CC(=O)N1CCC[N@H+](CC(=O)NC(C)(C)C)CC1 ZINC000371541089 282055765 /nfs/dbraw/zinc/05/57/65/282055765.db2.gz PYMMPVVAOQVGQS-UHFFFAOYSA-N 2 2 298.431 -0.003 20 0 CBADLP C[NH+](C)CC(=O)N1CCC[N@@H+](CC(=O)NC(C)(C)C)CC1 ZINC000371541089 282055766 /nfs/dbraw/zinc/05/57/66/282055766.db2.gz PYMMPVVAOQVGQS-UHFFFAOYSA-N 2 2 298.431 -0.003 20 0 CBADLP C[NH+](C)CC(=O)N1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000369810464 289074436 /nfs/dbraw/zinc/07/44/36/289074436.db2.gz PUDDGFLEEKBOGK-GFCCVEGCSA-N 2 2 282.388 -0.639 20 0 CBADLP C[NH+](C)CCOCC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423073211 289169926 /nfs/dbraw/zinc/16/99/26/289169926.db2.gz QYFDYGFBXKARHM-ZIAGYGMSSA-N 3 2 271.405 -0.079 20 0 CBADLP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000305764601 289209246 /nfs/dbraw/zinc/20/92/46/289209246.db2.gz GMRXLFCPWHBSGS-UTUOFQBUSA-N 2 2 278.418 -0.146 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCO[C@@]3(CCOC3)C2)CC1 ZINC000185140680 290011852 /nfs/dbraw/zinc/01/18/52/290011852.db2.gz AAPUZLBHMSXDIA-AWEZNQCLSA-N 2 2 283.372 -0.748 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CCO[C@@]3(CCOC3)C2)CC1 ZINC000185140680 290011855 /nfs/dbraw/zinc/01/18/55/290011855.db2.gz AAPUZLBHMSXDIA-AWEZNQCLSA-N 2 2 283.372 -0.748 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000245419841 290101687 /nfs/dbraw/zinc/10/16/87/290101687.db2.gz HEAULWLSLODDTC-KBPBESRZSA-N 2 2 297.399 -0.360 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000245419841 290101690 /nfs/dbraw/zinc/10/16/90/290101690.db2.gz HEAULWLSLODDTC-KBPBESRZSA-N 2 2 297.399 -0.360 20 0 CBADLP CNC(=O)CC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000363704090 290362738 /nfs/dbraw/zinc/36/27/38/290362738.db2.gz HDFCZYFEKSCWCN-LBPRGKRZSA-N 2 2 296.415 -0.251 20 0 CBADLP CNC(=O)CC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000363704090 290362743 /nfs/dbraw/zinc/36/27/43/290362743.db2.gz HDFCZYFEKSCWCN-LBPRGKRZSA-N 2 2 296.415 -0.251 20 0 CBADLP [NH3+]C[C@@H]1CN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CCO1 ZINC000423540062 295260165 /nfs/dbraw/zinc/26/01/65/295260165.db2.gz PUNGVUQZBSPKTO-ZIAGYGMSSA-N 2 2 297.399 -0.184 20 0 CBADLP [NH3+]C[C@@H]1CN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CCO1 ZINC000423540062 295260166 /nfs/dbraw/zinc/26/01/66/295260166.db2.gz PUNGVUQZBSPKTO-ZIAGYGMSSA-N 2 2 297.399 -0.184 20 0 CBADLP C[C@H](C(=O)NC(C)(C)C)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000515312891 298128669 /nfs/dbraw/zinc/12/86/69/298128669.db2.gz TULWTUQIFDXYAO-VWYCJHECSA-N 2 2 282.388 -0.467 20 0 CBADLP C[C@H](C(=O)NC(C)(C)C)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000515312891 298128670 /nfs/dbraw/zinc/12/86/70/298128670.db2.gz TULWTUQIFDXYAO-VWYCJHECSA-N 2 2 282.388 -0.467 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H]2[C@H]3CCCC[NH+]3C[C@H]2C1 ZINC000365540954 298134934 /nfs/dbraw/zinc/13/49/34/298134934.db2.gz UELBHEMOAGCUHA-NOOOWODRSA-N 2 2 280.372 -0.014 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H]2[C@H]3CCCC[NH+]3C[C@H]2C1 ZINC000365540954 298134937 /nfs/dbraw/zinc/13/49/37/298134937.db2.gz UELBHEMOAGCUHA-NOOOWODRSA-N 2 2 280.372 -0.014 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[NH+]1C[C@@H]2[C@H]3CCCC[N@H+]3C[C@H]2C1 ZINC000365540954 298134941 /nfs/dbraw/zinc/13/49/41/298134941.db2.gz UELBHEMOAGCUHA-NOOOWODRSA-N 2 2 280.372 -0.014 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[NH+]1C[C@@H]2[C@H]3CCCC[N@@H+]3C[C@H]2C1 ZINC000365540954 298134942 /nfs/dbraw/zinc/13/49/42/298134942.db2.gz UELBHEMOAGCUHA-NOOOWODRSA-N 2 2 280.372 -0.014 20 0 CBADLP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000373801640 298984419 /nfs/dbraw/zinc/98/44/19/298984419.db2.gz VUOYYFTUIUGBKY-RWMBFGLXSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@H](NC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1)C(=O)N(C)C ZINC000123513907 299048871 /nfs/dbraw/zinc/04/88/71/299048871.db2.gz AQPVAKKMBJZILY-AGIUHOORSA-N 2 2 298.431 -0.006 20 0 CBADLP C[C@H](NC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1)C(=O)N(C)C ZINC000123513907 299048873 /nfs/dbraw/zinc/04/88/73/299048873.db2.gz AQPVAKKMBJZILY-AGIUHOORSA-N 2 2 298.431 -0.006 20 0 CBADLP C[C@H](NC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1)C(=O)N(C)C ZINC000123513907 299048875 /nfs/dbraw/zinc/04/88/75/299048875.db2.gz AQPVAKKMBJZILY-AGIUHOORSA-N 2 2 298.431 -0.006 20 0 CBADLP C[C@H](NC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1)C(=O)N(C)C ZINC000123513907 299048877 /nfs/dbraw/zinc/04/88/77/299048877.db2.gz AQPVAKKMBJZILY-AGIUHOORSA-N 2 2 298.431 -0.006 20 0 CBADLP C[C@H](NC(=O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1)C(=O)N(C)C ZINC000351500217 299056872 /nfs/dbraw/zinc/05/68/72/299056872.db2.gz WVZZEPVNHNWAFW-NNYUYHANSA-N 2 2 282.388 -0.752 20 0 CBADLP C[C@H](NC(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1)C(=O)N(C)C ZINC000351500217 299056873 /nfs/dbraw/zinc/05/68/73/299056873.db2.gz WVZZEPVNHNWAFW-NNYUYHANSA-N 2 2 282.388 -0.752 20 0 CBADLP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1C[C@H]2OCC[NH+](C)[C@H]2C1 ZINC000427035070 300224762 /nfs/dbraw/zinc/22/47/62/300224762.db2.gz QZLZFOMUPXAISL-QNWHQSFQSA-N 2 2 267.373 -0.275 20 0 CBADLP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1C[C@H]2OCC[NH+](C)[C@H]2C1 ZINC000427035070 300224765 /nfs/dbraw/zinc/22/47/65/300224765.db2.gz QZLZFOMUPXAISL-QNWHQSFQSA-N 2 2 267.373 -0.275 20 0 CBADLP C[C@H]1C[NH+](C)C[C@H]1C(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000427035070 300224767 /nfs/dbraw/zinc/22/47/67/300224767.db2.gz QZLZFOMUPXAISL-QNWHQSFQSA-N 2 2 267.373 -0.275 20 0 CBADLP C[C@H]1C[NH+](C)C[C@H]1C(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000427035070 300224769 /nfs/dbraw/zinc/22/47/69/300224769.db2.gz QZLZFOMUPXAISL-QNWHQSFQSA-N 2 2 267.373 -0.275 20 0 CBADLP NC(=O)NC(=O)C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000363413544 303270889 /nfs/dbraw/zinc/27/08/89/303270889.db2.gz DQVDXUDCSDSRDT-MXWKQRLJSA-N 2 2 266.345 -0.403 20 0 CBADLP NC(=O)NC(=O)C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000363413544 303270893 /nfs/dbraw/zinc/27/08/93/303270893.db2.gz DQVDXUDCSDSRDT-MXWKQRLJSA-N 2 2 266.345 -0.403 20 0 CBADLP NC(=O)NC(=O)C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363413544 303270894 /nfs/dbraw/zinc/27/08/94/303270894.db2.gz DQVDXUDCSDSRDT-MXWKQRLJSA-N 2 2 266.345 -0.403 20 0 CBADLP NC(=O)NC(=O)C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363413544 303270896 /nfs/dbraw/zinc/27/08/96/303270896.db2.gz DQVDXUDCSDSRDT-MXWKQRLJSA-N 2 2 266.345 -0.403 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000563088210 327915934 /nfs/dbraw/zinc/91/59/34/327915934.db2.gz VKPLMNHERYVUCP-UHFFFAOYSA-N 2 2 294.399 -0.590 20 0 CBADLP [NH3+][C@H]1Cc2ccccc2N(C(=O)CN2CC[NH2+]CC2=O)C1 ZINC000563171071 327945455 /nfs/dbraw/zinc/94/54/55/327945455.db2.gz XYIGHZCRARYTTM-LBPRGKRZSA-N 2 2 288.351 -0.665 20 0 CBADLP Cn1cc[nH+]c1[C@H]1CN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)CCN1C ZINC000571043736 327982304 /nfs/dbraw/zinc/98/23/04/327982304.db2.gz BOLDFSUYJWRTIN-QJPTWQEYSA-N 2 2 295.362 -0.065 20 0 CBADLP C[C@@H]1C[N@@H+]([C@@H]2CC(=O)NC2=O)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000563348091 328056673 /nfs/dbraw/zinc/05/66/73/328056673.db2.gz HPWNPTGQCDXTKV-FRRDWIJNSA-N 2 2 294.399 -0.641 20 0 CBADLP C[C@@H]1C[N@H+]([C@@H]2CC(=O)NC2=O)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000563348091 328056675 /nfs/dbraw/zinc/05/66/75/328056675.db2.gz HPWNPTGQCDXTKV-FRRDWIJNSA-N 2 2 294.399 -0.641 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000563363815 328059291 /nfs/dbraw/zinc/05/92/91/328059291.db2.gz LPFPFJBDQLVWMV-AGIUHOORSA-N 2 2 257.378 -0.686 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)CC(F)(F)C[NH3+] ZINC000563340360 328054827 /nfs/dbraw/zinc/05/48/27/328054827.db2.gz ZQIWEXJVOLGVNY-SECBINFHSA-N 2 2 265.304 -0.193 20 0 CBADLP CCOC(=O)[C@H](CC)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000563439559 328065490 /nfs/dbraw/zinc/06/54/90/328065490.db2.gz GUJVNQRHIAQFTQ-VWYCJHECSA-N 2 2 269.345 -0.428 20 0 CBADLP CCOC(=O)[C@H](CC)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000563439559 328065492 /nfs/dbraw/zinc/06/54/92/328065492.db2.gz GUJVNQRHIAQFTQ-VWYCJHECSA-N 2 2 269.345 -0.428 20 0 CBADLP CC(C)CNC(=O)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000563441452 328066530 /nfs/dbraw/zinc/06/65/30/328066530.db2.gz LLZXKWHVUVMBAW-QWRGUYRKSA-N 2 2 268.361 -0.998 20 0 CBADLP CC(C)CNC(=O)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000563441452 328066532 /nfs/dbraw/zinc/06/65/32/328066532.db2.gz LLZXKWHVUVMBAW-QWRGUYRKSA-N 2 2 268.361 -0.998 20 0 CBADLP CC[C@H]1C[N@H+](CCNC(=O)N[C@H]2CC[NH2+]C2)CCO1 ZINC000563454377 328067636 /nfs/dbraw/zinc/06/76/36/328067636.db2.gz QRPKIEDUGBHCMS-RYUDHWBXSA-N 2 2 270.377 -0.242 20 0 CBADLP CC[C@H]1C[N@@H+](CCNC(=O)N[C@H]2CC[NH2+]C2)CCO1 ZINC000563454377 328067637 /nfs/dbraw/zinc/06/76/37/328067637.db2.gz QRPKIEDUGBHCMS-RYUDHWBXSA-N 2 2 270.377 -0.242 20 0 CBADLP CC[C@H]1C[N@H+](CCNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CCO1 ZINC000563522639 328071128 /nfs/dbraw/zinc/07/11/28/328071128.db2.gz TXLUMDZQNSZEPE-WUHRBBMRSA-N 2 2 282.388 -0.386 20 0 CBADLP CC[C@H]1C[N@@H+](CCNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CCO1 ZINC000563522639 328071129 /nfs/dbraw/zinc/07/11/29/328071129.db2.gz TXLUMDZQNSZEPE-WUHRBBMRSA-N 2 2 282.388 -0.386 20 0 CBADLP COCCOC[C@H](O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000563545407 328072533 /nfs/dbraw/zinc/07/25/33/328072533.db2.gz NABXIVSVVYENSN-GFCCVEGCSA-N 2 2 284.360 -0.444 20 0 CBADLP COc1ncccc1CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000563545729 328072830 /nfs/dbraw/zinc/07/28/30/328072830.db2.gz XMBBQWNRMWWYTO-LBPRGKRZSA-N 2 2 293.371 -0.126 20 0 CBADLP COc1ncccc1CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000563545729 328072831 /nfs/dbraw/zinc/07/28/31/328072831.db2.gz XMBBQWNRMWWYTO-LBPRGKRZSA-N 2 2 293.371 -0.126 20 0 CBADLP COC[C@H](C)CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000563581198 328075113 /nfs/dbraw/zinc/07/51/13/328075113.db2.gz JHVNPGLFIFOAFE-GHMZBOCLSA-N 2 2 258.366 -0.447 20 0 CBADLP COC[C@H](C)CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000563581198 328075115 /nfs/dbraw/zinc/07/51/15/328075115.db2.gz JHVNPGLFIFOAFE-GHMZBOCLSA-N 2 2 258.366 -0.447 20 0 CBADLP C[N@@H+]1CCN(C(=O)N[C@@H]2C[C@@H]3OCCC[C@@H]23)[C@H](C[NH3+])C1 ZINC000563595378 328076163 /nfs/dbraw/zinc/07/61/63/328076163.db2.gz DEWZRBWQHHYMGC-XQHKEYJVSA-N 2 2 282.388 -0.162 20 0 CBADLP C[N@H+]1CCN(C(=O)N[C@@H]2C[C@@H]3OCCC[C@@H]23)[C@H](C[NH3+])C1 ZINC000563595378 328076164 /nfs/dbraw/zinc/07/61/64/328076164.db2.gz DEWZRBWQHHYMGC-XQHKEYJVSA-N 2 2 282.388 -0.162 20 0 CBADLP CN(CCC[NH3+])C(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000571106953 328086157 /nfs/dbraw/zinc/08/61/57/328086157.db2.gz MSKJTSPJVYUKTC-UHFFFAOYSA-N 2 2 267.333 -0.803 20 0 CBADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]C[C@@H]2COCCO2)C[C@H](C)O1 ZINC000575740922 328094317 /nfs/dbraw/zinc/09/43/17/328094317.db2.gz GOPHQJKISWKGSA-XJFOESAGSA-N 2 2 288.388 -0.539 20 0 CBADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]C[C@@H]2COCCO2)C[C@H](C)O1 ZINC000575740922 328094318 /nfs/dbraw/zinc/09/43/18/328094318.db2.gz GOPHQJKISWKGSA-XJFOESAGSA-N 2 2 288.388 -0.539 20 0 CBADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1nc(N)nc(N(C)C)n1 ZINC000216142598 328113917 /nfs/dbraw/zinc/11/39/17/328113917.db2.gz UAWMJYKDAHPTOQ-RKDXNWHRSA-N 2 2 265.365 -0.311 20 0 CBADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1nc(N)nc(N(C)C)n1 ZINC000216142598 328113918 /nfs/dbraw/zinc/11/39/18/328113918.db2.gz UAWMJYKDAHPTOQ-RKDXNWHRSA-N 2 2 265.365 -0.311 20 0 CBADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)C2([NH3+])CCC2)CC1 ZINC000571443924 328122278 /nfs/dbraw/zinc/12/22/78/328122278.db2.gz NVRYZRSOBMLWOZ-UHFFFAOYSA-N 2 2 282.388 -0.462 20 0 CBADLP CCNC(=O)C[N@H+]1CCCN(C(=O)C2([NH3+])CCC2)CC1 ZINC000571443924 328122280 /nfs/dbraw/zinc/12/22/80/328122280.db2.gz NVRYZRSOBMLWOZ-UHFFFAOYSA-N 2 2 282.388 -0.462 20 0 CBADLP COC(=O)[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)C(C)C ZINC000584338966 328127512 /nfs/dbraw/zinc/12/75/12/328127512.db2.gz WYAJSNOMNJWKIJ-CYBMUJFWSA-N 2 2 285.388 -0.062 20 0 CBADLP C[C@H](CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])[NH+](C)C1CC1 ZINC000584340476 328127655 /nfs/dbraw/zinc/12/76/55/328127655.db2.gz GEGHIJVUTWKNLL-YPMHNXCESA-N 3 2 283.420 -0.247 20 0 CBADLP C[C@H](CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])[NH+](C)C1CC1 ZINC000584340476 328127656 /nfs/dbraw/zinc/12/76/56/328127656.db2.gz GEGHIJVUTWKNLL-YPMHNXCESA-N 3 2 283.420 -0.247 20 0 CBADLP C[C@H](CNC(=O)N1CC[NH+](C)C[C@@H]1C[NH3+])[N@H+](C)C1CC1 ZINC000584340476 328127657 /nfs/dbraw/zinc/12/76/57/328127657.db2.gz GEGHIJVUTWKNLL-YPMHNXCESA-N 3 2 283.420 -0.247 20 0 CBADLP C[C@H](CNC(=O)N1CC[NH+](C)C[C@@H]1C[NH3+])[N@@H+](C)C1CC1 ZINC000584340476 328127658 /nfs/dbraw/zinc/12/76/58/328127658.db2.gz GEGHIJVUTWKNLL-YPMHNXCESA-N 3 2 283.420 -0.247 20 0 CBADLP CC[N@H+](CCNC[C@H](O)CN1CC[NH+](C)CC1)C(C)C ZINC000571634485 328150988 /nfs/dbraw/zinc/15/09/88/328150988.db2.gz TXBMUKFFYFMQKW-HNNXBMFYSA-N 2 2 286.464 -0.085 20 0 CBADLP CC[N@@H+](CCNC[C@H](O)CN1CC[NH+](C)CC1)C(C)C ZINC000571634485 328150990 /nfs/dbraw/zinc/15/09/90/328150990.db2.gz TXBMUKFFYFMQKW-HNNXBMFYSA-N 2 2 286.464 -0.085 20 0 CBADLP C[NH2+]C[C@@](C)(O)C[NH+]1CCN(c2cnn(C)c2)CC1 ZINC000582611267 329116363 /nfs/dbraw/zinc/11/63/63/329116363.db2.gz VCIHJKWCUUURED-CYBMUJFWSA-N 2 2 267.377 -0.488 20 0 CBADLP CN(C)c1ncc(CN2CC[N@H+](C)C[C@@H]2C[NH3+])cn1 ZINC000571643131 328181835 /nfs/dbraw/zinc/18/18/35/328181835.db2.gz ZUHXTLHDWMIRMC-LBPRGKRZSA-N 2 2 264.377 -0.383 20 0 CBADLP CN(C)c1ncc(CN2CC[N@@H+](C)C[C@@H]2C[NH3+])cn1 ZINC000571643131 328181837 /nfs/dbraw/zinc/18/18/37/328181837.db2.gz ZUHXTLHDWMIRMC-LBPRGKRZSA-N 2 2 264.377 -0.383 20 0 CBADLP O=C(NCC[NH+]1CCOCC1)N[C@H]1C[NH2+]CCC1(F)F ZINC000571654013 328214508 /nfs/dbraw/zinc/21/45/08/328214508.db2.gz KTBFZGDWEDQRQF-JTQLQIEISA-N 2 2 292.330 -0.385 20 0 CBADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@H]1CC[NH2+]C1 ZINC000563821084 328521491 /nfs/dbraw/zinc/52/14/91/328521491.db2.gz DGPLVFFQVBGDMH-AGIUHOORSA-N 2 2 282.388 -0.147 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1CCN(S(C)(=O)=O)C1 ZINC000575321743 335093405 /nfs/dbraw/zinc/09/34/05/335093405.db2.gz HWOVGDQCJQMODE-OUAUKWLOSA-N 2 2 261.391 -0.440 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1CCN(S(C)(=O)=O)C1 ZINC000575321743 335093407 /nfs/dbraw/zinc/09/34/07/335093407.db2.gz HWOVGDQCJQMODE-OUAUKWLOSA-N 2 2 261.391 -0.440 20 0 CBADLP CC1(C)C[NH+](CC(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)C1 ZINC000565725262 327000407 /nfs/dbraw/zinc/00/04/07/327000407.db2.gz OFXIWWVQZRLXLP-GFCCVEGCSA-N 2 2 296.415 -0.216 20 0 CBADLP CC1(C)C[NH+](CC(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)C1 ZINC000565725262 327000406 /nfs/dbraw/zinc/00/04/06/327000406.db2.gz OFXIWWVQZRLXLP-GFCCVEGCSA-N 2 2 296.415 -0.216 20 0 CBADLP CN1CC[NH2+]C[C@@H]1CNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000576038841 327010661 /nfs/dbraw/zinc/01/06/61/327010661.db2.gz SDFGAQYZXADWJE-RKDXNWHRSA-N 2 2 262.304 -0.997 20 0 CBADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C[NH+]1CC(C)(C)C1 ZINC000557597271 327015025 /nfs/dbraw/zinc/01/50/25/327015025.db2.gz RGUKMEUGAUTDPI-LBPRGKRZSA-N 2 2 268.405 -0.310 20 0 CBADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C[NH+]1CC(C)(C)C1 ZINC000557597271 327015026 /nfs/dbraw/zinc/01/50/26/327015026.db2.gz RGUKMEUGAUTDPI-LBPRGKRZSA-N 2 2 268.405 -0.310 20 0 CBADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCNC(=O)c1cnccn1 ZINC000584166932 327054697 /nfs/dbraw/zinc/05/46/97/327054697.db2.gz RBENVRJCSVVXKS-WDEREUQCSA-N 2 2 263.345 -0.206 20 0 CBADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCNC(=O)c1cnccn1 ZINC000584166930 327054831 /nfs/dbraw/zinc/05/48/31/327054831.db2.gz RBENVRJCSVVXKS-MNOVXSKESA-N 2 2 263.345 -0.206 20 0 CBADLP C[C@H](C(=O)N1CC[NH+](CCO)CC1)[NH+]1CC(C)C1 ZINC000584240817 327124935 /nfs/dbraw/zinc/12/49/35/327124935.db2.gz SKIVUMBQLFHFCB-GFCCVEGCSA-N 2 2 255.362 -0.537 20 0 CBADLP CC(C)(C)NC(=O)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000573267556 327130952 /nfs/dbraw/zinc/13/09/52/327130952.db2.gz LRSRDIIHDMZWRX-UWVGGRQHSA-N 2 2 268.361 -0.855 20 0 CBADLP CC(C)(C)NC(=O)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000573267556 327130954 /nfs/dbraw/zinc/13/09/54/327130954.db2.gz LRSRDIIHDMZWRX-UWVGGRQHSA-N 2 2 268.361 -0.855 20 0 CBADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](CC(=O)NCC3CCC3)CCN2C1=O ZINC000573339727 327137542 /nfs/dbraw/zinc/13/75/42/327137542.db2.gz VOUJDCDLAYBWKB-VXGBXAGGSA-N 2 2 280.372 -0.854 20 0 CBADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](CC(=O)NCC3CCC3)CCN2C1=O ZINC000573339727 327137544 /nfs/dbraw/zinc/13/75/44/327137544.db2.gz VOUJDCDLAYBWKB-VXGBXAGGSA-N 2 2 280.372 -0.854 20 0 CBADLP CN(CCC[NH+](C)C)C(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000559346707 327162900 /nfs/dbraw/zinc/16/29/00/327162900.db2.gz IGOIJOSIAOEDLM-UHFFFAOYSA-N 2 2 295.387 -0.201 20 0 CBADLP CNS(=O)(=O)CCC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000569375393 327168795 /nfs/dbraw/zinc/16/87/95/327168795.db2.gz QACBLXVBSVJJOS-UHFFFAOYSA-N 2 2 287.389 -0.529 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)CC[NH2+]C1CC1 ZINC000569377980 327170287 /nfs/dbraw/zinc/17/02/87/327170287.db2.gz BWNNEYWESKAHDH-UHFFFAOYSA-N 2 2 255.362 -0.081 20 0 CBADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@@H]2CCC(=O)N(C)C2)C[C@@H](C)O1 ZINC000569475921 327183196 /nfs/dbraw/zinc/18/31/96/327183196.db2.gz OVKVZIJOKBTGMF-AAVRWANBSA-N 2 2 299.415 -0.333 20 0 CBADLP COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C)[C@H](C)[NH3+])C1 ZINC000569482183 327184150 /nfs/dbraw/zinc/18/41/50/327184150.db2.gz AQTHEPTUPLNVFB-SDDRHHMPSA-N 2 2 285.388 -0.029 20 0 CBADLP COC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@@H](C)[C@H](C)[NH3+])C1 ZINC000569482183 327184151 /nfs/dbraw/zinc/18/41/51/327184151.db2.gz AQTHEPTUPLNVFB-SDDRHHMPSA-N 2 2 285.388 -0.029 20 0 CBADLP CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H](C[NH3+])C2)C1 ZINC000569487332 327185632 /nfs/dbraw/zinc/18/56/32/327185632.db2.gz VWQJFKCWTJDHOA-UONOGXRCSA-N 2 2 296.415 -0.216 20 0 CBADLP CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H](C[NH3+])C2)C1 ZINC000569487332 327185633 /nfs/dbraw/zinc/18/56/33/327185633.db2.gz VWQJFKCWTJDHOA-UONOGXRCSA-N 2 2 296.415 -0.216 20 0 CBADLP C[NH+](C)CCOCCNC(=O)[C@H]([NH3+])c1cscn1 ZINC000577727480 327280272 /nfs/dbraw/zinc/28/02/72/327280272.db2.gz MBTUUNJZDHCYLR-SNVBAGLBSA-N 2 2 272.374 -0.163 20 0 CBADLP C[N@H+](CCN1CC[NH2+]CC1)Cc1nnc2n1CCC2 ZINC000583384267 327336210 /nfs/dbraw/zinc/33/62/10/327336210.db2.gz MTWYPSMCBOOVFJ-UHFFFAOYSA-N 2 2 264.377 -0.439 20 0 CBADLP C[N@@H+](CCN1CC[NH2+]CC1)Cc1nnc2n1CCC2 ZINC000583384267 327336211 /nfs/dbraw/zinc/33/62/11/327336211.db2.gz MTWYPSMCBOOVFJ-UHFFFAOYSA-N 2 2 264.377 -0.439 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCn3nncc3C2)CC1 ZINC000569619554 327352540 /nfs/dbraw/zinc/35/25/40/327352540.db2.gz UKDISLYIDHGVBH-UHFFFAOYSA-N 2 2 278.360 -0.742 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCn3nncc3C2)CC1 ZINC000569619554 327352541 /nfs/dbraw/zinc/35/25/41/327352541.db2.gz UKDISLYIDHGVBH-UHFFFAOYSA-N 2 2 278.360 -0.742 20 0 CBADLP CNS(=O)(=O)[C@@H]1CCC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000574637587 327358602 /nfs/dbraw/zinc/35/86/02/327358602.db2.gz FFWORWLQNZBDTL-VXGBXAGGSA-N 2 2 275.418 0.000 20 0 CBADLP CNS(=O)(=O)[C@@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000574637587 327358603 /nfs/dbraw/zinc/35/86/03/327358603.db2.gz FFWORWLQNZBDTL-VXGBXAGGSA-N 2 2 275.418 0.000 20 0 CBADLP COc1ccc(CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cn1 ZINC000561149429 327369304 /nfs/dbraw/zinc/36/93/04/327369304.db2.gz QTEQJHAQYRCWRI-LBPRGKRZSA-N 2 2 293.371 -0.126 20 0 CBADLP COc1ccc(CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cn1 ZINC000561149429 327369306 /nfs/dbraw/zinc/36/93/06/327369306.db2.gz QTEQJHAQYRCWRI-LBPRGKRZSA-N 2 2 293.371 -0.126 20 0 CBADLP CCC([NH3+])(CC)CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000561215551 327376117 /nfs/dbraw/zinc/37/61/17/327376117.db2.gz DFLHGBIZGLGONM-LLVKDONJSA-N 3 2 271.409 -0.212 20 0 CBADLP CCC([NH3+])(CC)CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000561215551 327376119 /nfs/dbraw/zinc/37/61/19/327376119.db2.gz DFLHGBIZGLGONM-LLVKDONJSA-N 3 2 271.409 -0.212 20 0 CBADLP C[C@@H](C(=O)NC[C@H]1C[N@H+](C)CCN1C)[NH+]1CC(C)C1 ZINC000561223566 327377047 /nfs/dbraw/zinc/37/70/47/327377047.db2.gz AEEPCFQSIMXQSJ-STQMWFEESA-N 2 2 268.405 -0.311 20 0 CBADLP C[C@@H](C(=O)NC[C@H]1C[N@@H+](C)CCN1C)[NH+]1CC(C)C1 ZINC000561223566 327377050 /nfs/dbraw/zinc/37/70/50/327377050.db2.gz AEEPCFQSIMXQSJ-STQMWFEESA-N 2 2 268.405 -0.311 20 0 CBADLP CN(CC[NH3+])C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000584362016 329103038 /nfs/dbraw/zinc/10/30/38/329103038.db2.gz KHXQOVKLKJFYRV-UHFFFAOYSA-N 2 2 261.285 -0.310 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)C[C@H]1CCOC1 ZINC000394134356 329106923 /nfs/dbraw/zinc/10/69/23/329106923.db2.gz OXDCTHKWGPHAIH-CHWSQXEVSA-N 2 2 260.378 -0.106 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)C[C@H]1CCOC1 ZINC000394134356 329106924 /nfs/dbraw/zinc/10/69/24/329106924.db2.gz OXDCTHKWGPHAIH-CHWSQXEVSA-N 2 2 260.378 -0.106 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)C[C@H]1CCOC1 ZINC000394134356 329106926 /nfs/dbraw/zinc/10/69/26/329106926.db2.gz OXDCTHKWGPHAIH-CHWSQXEVSA-N 2 2 260.378 -0.106 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)C[C@H]1CCOC1 ZINC000394134356 329106928 /nfs/dbraw/zinc/10/69/28/329106928.db2.gz OXDCTHKWGPHAIH-CHWSQXEVSA-N 2 2 260.378 -0.106 20 0 CBADLP [NH3+]CCCCn1cc(C(=O)N2CC[NH+](C3CC3)CC2)nn1 ZINC000582603424 329114358 /nfs/dbraw/zinc/11/43/58/329114358.db2.gz CVMVYQRIUOQFEI-UHFFFAOYSA-N 2 2 292.387 -0.063 20 0 CBADLP C[NH2+]C[C@](C)(O)C[NH+]1CCN(c2cnn(C)c2)CC1 ZINC000582611268 329116377 /nfs/dbraw/zinc/11/63/77/329116377.db2.gz VCIHJKWCUUURED-ZDUSSCGKSA-N 2 2 267.377 -0.488 20 0 CBADLP C[NH+](C)C[C@H]1CN(C(=O)[C@@H]([NH3+])c2cscn2)CCO1 ZINC000582724418 329130853 /nfs/dbraw/zinc/13/08/53/329130853.db2.gz SSXFZNYZRXVZPQ-ONGXEEELSA-N 2 2 284.385 -0.068 20 0 CBADLP C[NH2+][C@@H](C)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000582735298 329133686 /nfs/dbraw/zinc/13/36/86/329133686.db2.gz FQQDDTGEUXNYDG-NWDGAFQWSA-N 2 2 255.362 -0.083 20 0 CBADLP C[NH2+][C@@H]1CC[N@H+](CCC(=O)N(C)CC(=O)OC)C1 ZINC000582846563 329279180 /nfs/dbraw/zinc/27/91/80/329279180.db2.gz VRABFXYRBMYGJU-SNVBAGLBSA-N 2 2 257.334 -0.698 20 0 CBADLP C[NH2+][C@@H]1CC[N@@H+](CCC(=O)N(C)CC(=O)OC)C1 ZINC000582846563 329279182 /nfs/dbraw/zinc/27/91/82/329279182.db2.gz VRABFXYRBMYGJU-SNVBAGLBSA-N 2 2 257.334 -0.698 20 0 CBADLP C[C@H]1CCCN(CC[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)C1 ZINC000582840381 329276626 /nfs/dbraw/zinc/27/66/26/329276626.db2.gz ULDXTQNXLGCBPP-HOTGVXAUSA-N 2 2 298.475 -0.084 20 0 CBADLP C[C@H]1CCC[N@H+](CCNC[C@H](O)C[NH+]2CCN(C)CC2)C1 ZINC000582840381 329276628 /nfs/dbraw/zinc/27/66/28/329276628.db2.gz ULDXTQNXLGCBPP-HOTGVXAUSA-N 2 2 298.475 -0.084 20 0 CBADLP C[C@H]1CCC[N@@H+](CCNC[C@H](O)C[NH+]2CCN(C)CC2)C1 ZINC000582840381 329276630 /nfs/dbraw/zinc/27/66/30/329276630.db2.gz ULDXTQNXLGCBPP-HOTGVXAUSA-N 2 2 298.475 -0.084 20 0 CBADLP Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)C[NH+](C)C ZINC000582965748 329294952 /nfs/dbraw/zinc/29/49/52/329294952.db2.gz XCCXFCUQGXRLEP-JTQLQIEISA-N 2 2 251.334 -0.545 20 0 CBADLP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000583018926 329298071 /nfs/dbraw/zinc/29/80/71/329298071.db2.gz LZKRDDLVIKEDCM-ZDUSSCGKSA-N 2 2 294.399 -0.497 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCSC[C@@H]1CCO ZINC000583211869 329368278 /nfs/dbraw/zinc/36/82/78/329368278.db2.gz GCBIJTDGRCXREW-STQMWFEESA-N 2 2 292.445 -0.275 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCSC[C@@H]1CCO ZINC000583211869 329368280 /nfs/dbraw/zinc/36/82/80/329368280.db2.gz GCBIJTDGRCXREW-STQMWFEESA-N 2 2 292.445 -0.275 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCSC[C@@H]1CCO ZINC000583211869 329368282 /nfs/dbraw/zinc/36/82/82/329368282.db2.gz GCBIJTDGRCXREW-STQMWFEESA-N 2 2 292.445 -0.275 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@@H]2CCCCC[NH2+]2)CC1 ZINC000571764270 329918412 /nfs/dbraw/zinc/91/84/12/329918412.db2.gz TYSVDCMEERBXIT-AWEZNQCLSA-N 2 2 296.415 -0.201 20 0 CBADLP [NH3+]CC[C@H]1CCCN(C(=O)CN2CC[NH2+]CC2=O)C1 ZINC000572035926 329939303 /nfs/dbraw/zinc/93/93/03/329939303.db2.gz YZYMEDQNQLWUBP-LLVKDONJSA-N 2 2 268.361 -0.994 20 0 CBADLP [NH3+]CC[C@@H]1CCCN(C(=O)CN2CC[NH2+]CC2=O)C1 ZINC000572035930 329939330 /nfs/dbraw/zinc/93/93/30/329939330.db2.gz YZYMEDQNQLWUBP-NSHDSACASA-N 2 2 268.361 -0.994 20 0 CBADLP C[NH+](C)[C@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@@H]1O ZINC000572421538 330066954 /nfs/dbraw/zinc/06/69/54/330066954.db2.gz BWVAIYWNYPXBRK-WOPDTQHZSA-N 2 2 278.356 -0.421 20 0 CBADLP Cc1nn(C)c(C)c1OCC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000162573832 330077605 /nfs/dbraw/zinc/07/76/05/330077605.db2.gz ISIUHFIFEOIMOX-GFCCVEGCSA-N 2 2 295.387 -0.483 20 0 CBADLP Cc1nn(C)c(C)c1OCC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000162573832 330077606 /nfs/dbraw/zinc/07/76/06/330077606.db2.gz ISIUHFIFEOIMOX-GFCCVEGCSA-N 2 2 295.387 -0.483 20 0 CBADLP C[N@@H+]1CCN(C(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)[C@@H](C[NH3+])C1 ZINC000574987897 330117277 /nfs/dbraw/zinc/11/72/77/330117277.db2.gz ZLMHFDGRNWBKBL-RYUDHWBXSA-N 2 2 296.415 -0.265 20 0 CBADLP C[N@H+]1CCN(C(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)[C@@H](C[NH3+])C1 ZINC000574987897 330117278 /nfs/dbraw/zinc/11/72/78/330117278.db2.gz ZLMHFDGRNWBKBL-RYUDHWBXSA-N 2 2 296.415 -0.265 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@H]1CC[NH2+]C1 ZINC000572497995 330801749 /nfs/dbraw/zinc/80/17/49/330801749.db2.gz FKXSMAZLFDAAAS-NEPJUHHUSA-N 2 2 270.377 -0.290 20 0 CBADLP COC(=O)C[C@H]1C(=O)NCC[N@H+]1CCn1cc[nH+]c1 ZINC000178473661 533711279 /nfs/dbraw/zinc/71/12/79/533711279.db2.gz OZFCPAJOYRVCMD-JTQLQIEISA-N 2 2 266.301 -0.753 20 0 CBADLP COC(=O)C[C@H]1C(=O)NCC[N@@H+]1CCn1cc[nH+]c1 ZINC000178473661 533711288 /nfs/dbraw/zinc/71/12/88/533711288.db2.gz OZFCPAJOYRVCMD-JTQLQIEISA-N 2 2 266.301 -0.753 20 0 CBADLP C[NH2+][C@H](C(=O)NCC(F)(F)C[NH3+])c1cnn(C)c1 ZINC000568998839 334850592 /nfs/dbraw/zinc/85/05/92/334850592.db2.gz HDHZVAVFMIXCJH-QMMMGPOBSA-N 2 2 261.276 -0.609 20 0 CBADLP CC(C)[NH2+]C1(CO)CC[NH+]([C@@H]2COC[C@H]2O)CC1 ZINC000572972128 334896329 /nfs/dbraw/zinc/89/63/29/334896329.db2.gz PBXVWRPECMQXJB-VXGBXAGGSA-N 2 2 258.362 -0.429 20 0 CBADLP C[C@H](C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C)[NH+]1CCN(C)CC1 ZINC000575803779 335117151 /nfs/dbraw/zinc/11/71/51/335117151.db2.gz FUUSXAVUFAQHOS-JHJVBQTASA-N 2 2 268.405 -0.169 20 0 CBADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)CN3CC[NH2+]CC3=O)CC[C@@H]21 ZINC000572518197 333048119 /nfs/dbraw/zinc/04/81/19/333048119.db2.gz DHULAVOLMRGFCU-OLZOCXBDSA-N 2 2 294.399 -0.639 20 0 CBADLP C[N@H+]1CCC[C@@H]2CN(C(=O)CN3CC[NH2+]CC3=O)CC[C@@H]21 ZINC000572518197 333048120 /nfs/dbraw/zinc/04/81/20/333048120.db2.gz DHULAVOLMRGFCU-OLZOCXBDSA-N 2 2 294.399 -0.639 20 0 CBADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)CN3CC[NH2+]CC3=O)CC[C@H]21 ZINC000572518196 333048142 /nfs/dbraw/zinc/04/81/42/333048142.db2.gz DHULAVOLMRGFCU-CHWSQXEVSA-N 2 2 294.399 -0.639 20 0 CBADLP C[N@H+]1CCC[C@@H]2CN(C(=O)CN3CC[NH2+]CC3=O)CC[C@H]21 ZINC000572518196 333048143 /nfs/dbraw/zinc/04/81/43/333048143.db2.gz DHULAVOLMRGFCU-CHWSQXEVSA-N 2 2 294.399 -0.639 20 0 CBADLP CN1CC[NH2+]C[C@@H]1CNC(=O)[C@@H]([NH3+])c1c(F)cccc1F ZINC000572521735 333115398 /nfs/dbraw/zinc/11/53/98/333115398.db2.gz QZDSATPNFUHNKZ-RNCFNFMXSA-N 2 2 298.337 -0.016 20 0 CBADLP CN1CC[NH2+]C[C@H]1CNC(=O)[C@H]([NH3+])c1c(F)cccc1F ZINC000572521736 333115412 /nfs/dbraw/zinc/11/54/12/333115412.db2.gz QZDSATPNFUHNKZ-TVQRCGJNSA-N 2 2 298.337 -0.016 20 0 CBADLP Cn1cc(C[NH2+]C[C@@H]2[NH2+]CCCC2(C)C)c(=O)n(C)c1=O ZINC000575970376 335136418 /nfs/dbraw/zinc/13/64/18/335136418.db2.gz KWEAKEQKFXOGGI-LBPRGKRZSA-N 2 2 294.399 -0.048 20 0 CBADLP COC[C@@H](C)OC[C@H](O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000575999703 335140350 /nfs/dbraw/zinc/14/03/50/335140350.db2.gz KZBAIPGWIQPCHQ-CHWSQXEVSA-N 2 2 298.387 -0.056 20 0 CBADLP CCOCCCNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000576133490 335158881 /nfs/dbraw/zinc/15/88/81/335158881.db2.gz INAGZYUHIQGVLK-LLVKDONJSA-N 2 2 258.366 -0.303 20 0 CBADLP NC(=O)NC(=O)CC[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000564329262 334112291 /nfs/dbraw/zinc/11/22/91/334112291.db2.gz RHVXPIGKBSYYFP-JTQLQIEISA-N 2 2 272.349 -0.992 20 0 CBADLP NC(=O)NC(=O)CC[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000564329262 334112292 /nfs/dbraw/zinc/11/22/92/334112292.db2.gz RHVXPIGKBSYYFP-JTQLQIEISA-N 2 2 272.349 -0.992 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H](OC)[C@@H](OC)C1 ZINC000311451736 334219417 /nfs/dbraw/zinc/21/94/17/334219417.db2.gz JJUWWLAPZBXLDG-UPJWGTAASA-N 2 2 276.377 -0.729 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H](OC)[C@@H](OC)C1 ZINC000311451736 334219419 /nfs/dbraw/zinc/21/94/19/334219419.db2.gz JJUWWLAPZBXLDG-UPJWGTAASA-N 2 2 276.377 -0.729 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H](OC)[C@@H](OC)C1 ZINC000311451736 334219421 /nfs/dbraw/zinc/21/94/21/334219421.db2.gz JJUWWLAPZBXLDG-UPJWGTAASA-N 2 2 276.377 -0.729 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H](OC)[C@@H](OC)C1 ZINC000311451736 334219423 /nfs/dbraw/zinc/21/94/23/334219423.db2.gz JJUWWLAPZBXLDG-UPJWGTAASA-N 2 2 276.377 -0.729 20 0 CBADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)C[NH2+]C2CC2)CC1 ZINC000564924442 334528518 /nfs/dbraw/zinc/52/85/18/334528518.db2.gz ARAMTFKXFTZONQ-UHFFFAOYSA-N 2 2 268.361 -0.854 20 0 CBADLP CC[NH+]1CCN(CC(=O)N2CC[NH2+]C[C@@](C)(F)C2)CC1 ZINC000565041692 334535970 /nfs/dbraw/zinc/53/59/70/334535970.db2.gz YPRRQNFULJJGFN-CQSZACIVSA-N 2 2 286.395 -0.216 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000566157527 334629728 /nfs/dbraw/zinc/62/97/28/334629728.db2.gz LQNLHCKPWVRVGI-NEPJUHHUSA-N 2 2 271.361 -0.717 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000566169580 334631256 /nfs/dbraw/zinc/63/12/56/334631256.db2.gz KEJYFHITXPTQQW-LLVKDONJSA-N 2 2 291.355 -0.105 20 0 CBADLP CN(CCC[NH+](C)C)C(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000567086938 334679733 /nfs/dbraw/zinc/67/97/33/334679733.db2.gz OJMNKFSFRLQMQL-UHFFFAOYSA-N 2 2 296.415 -0.297 20 0 CBADLP C[C@H](O)C[NH2+]CCC[NH+]1CCN(c2ncccn2)CC1 ZINC000567679835 334751498 /nfs/dbraw/zinc/75/14/98/334751498.db2.gz GSNXQUWNLGHLAQ-ZDUSSCGKSA-N 2 2 279.388 -0.041 20 0 CBADLP O=C([C@@H]1CSC[NH2+]1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000567907116 334774284 /nfs/dbraw/zinc/77/42/84/334774284.db2.gz BZTUQZKMPZCYFN-MNOVXSKESA-N 2 2 298.412 -0.928 20 0 CBADLP CC[C@@H]([NH3+])C(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000573087626 334906969 /nfs/dbraw/zinc/90/69/69/334906969.db2.gz MPOSFIVIUXNUHX-GFCCVEGCSA-N 2 2 265.361 -0.198 20 0 CBADLP C1C[C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@@H]([C@H]2COCC[NH2+]2)C1 ZINC000576399514 335198926 /nfs/dbraw/zinc/19/89/26/335198926.db2.gz MUEVPHQCOWDXRZ-BSCCGWMCSA-N 3 2 251.374 -0.049 20 0 CBADLP C[C@@H](C[NH+](C)C)NC[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000576459644 335206111 /nfs/dbraw/zinc/20/61/11/335206111.db2.gz IVIIIDUQQHUVCC-IGQOVBAYSA-N 2 2 273.421 -0.004 20 0 CBADLP CC(C)OCC[C@H](O)C[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000576629732 335227703 /nfs/dbraw/zinc/22/77/03/335227703.db2.gz DSPCDUUXDRIQFZ-KGLIPLIRSA-N 2 2 273.421 -0.002 20 0 CBADLP CC(C)OCC[C@H](O)C[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000576629732 335227704 /nfs/dbraw/zinc/22/77/04/335227704.db2.gz DSPCDUUXDRIQFZ-KGLIPLIRSA-N 2 2 273.421 -0.002 20 0 CBADLP C[N@@H+]1CCN(C(=O)[C@H]2CCCCC(=O)N2)[C@H](C[NH3+])C1 ZINC000576635101 335228469 /nfs/dbraw/zinc/22/84/69/335228469.db2.gz ZNMIAUDRZKGRAR-GHMZBOCLSA-N 2 2 268.361 -0.854 20 0 CBADLP C[N@H+]1CCN(C(=O)[C@H]2CCCCC(=O)N2)[C@H](C[NH3+])C1 ZINC000576635101 335228470 /nfs/dbraw/zinc/22/84/70/335228470.db2.gz ZNMIAUDRZKGRAR-GHMZBOCLSA-N 2 2 268.361 -0.854 20 0 CBADLP C[C@@H]1CN(C(=O)[C@]23C[C@H]2CC[NH2+]3)C[C@@H]1[NH+]1CCOCC1 ZINC000577066103 335294441 /nfs/dbraw/zinc/29/44/41/335294441.db2.gz JKKGUEAJZMBQEP-CXTNEJHOSA-N 2 2 279.384 -0.083 20 0 CBADLP CC[C@@H](CO)[NH+]1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000580609263 335297732 /nfs/dbraw/zinc/29/77/32/335297732.db2.gz PCTQJVALXZLRPU-LBPRGKRZSA-N 2 2 266.345 -0.202 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1CC[NH2+][C@H]1C)[NH+]1CCN(C)CC1 ZINC000577489823 335358307 /nfs/dbraw/zinc/35/83/07/335358307.db2.gz ZGGIVRKDHLMIBP-RWMBFGLXSA-N 2 2 268.405 -0.264 20 0 CBADLP NC(=O)NC(=O)CC[NH2+]CCCCn1cc[nH+]c1 ZINC000577622955 335380581 /nfs/dbraw/zinc/38/05/81/335380581.db2.gz YZVIIFCRWSAARE-UHFFFAOYSA-N 2 2 253.306 -0.162 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)C[C@@H]2CSCC[NH2+]2)CCO1 ZINC000577637336 335384075 /nfs/dbraw/zinc/38/40/75/335384075.db2.gz RUJOTHZBVMJVDY-NWDGAFQWSA-N 2 2 287.429 -0.082 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)C[C@@H]2CSCC[NH2+]2)CCO1 ZINC000577637336 335384077 /nfs/dbraw/zinc/38/40/77/335384077.db2.gz RUJOTHZBVMJVDY-NWDGAFQWSA-N 2 2 287.429 -0.082 20 0 CBADLP C[N@@H+]1CCN(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)[C@@H](C[NH3+])C1 ZINC000581241204 336029655 /nfs/dbraw/zinc/02/96/55/336029655.db2.gz NZNDKLWZFBQDKN-AGIUHOORSA-N 3 2 283.420 -0.212 20 0 CBADLP C[N@H+]1CCN(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)[C@@H](C[NH3+])C1 ZINC000581241204 336029657 /nfs/dbraw/zinc/02/96/57/336029657.db2.gz NZNDKLWZFBQDKN-AGIUHOORSA-N 3 2 283.420 -0.212 20 0 CBADLP C[N@@H+]1CCN(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)[C@@H](C[NH3+])C1 ZINC000581241207 336029683 /nfs/dbraw/zinc/02/96/83/336029683.db2.gz NZNDKLWZFBQDKN-UPJWGTAASA-N 3 2 283.420 -0.212 20 0 CBADLP C[N@H+]1CCN(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)[C@@H](C[NH3+])C1 ZINC000581241207 336029685 /nfs/dbraw/zinc/02/96/85/336029685.db2.gz NZNDKLWZFBQDKN-UPJWGTAASA-N 3 2 283.420 -0.212 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(O)(C(=O)OC)CC1 ZINC000581258613 336033423 /nfs/dbraw/zinc/03/34/23/336033423.db2.gz GAFSJRAGSGOUGW-NSHDSACASA-N 2 2 274.361 -0.701 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(O)(C(=O)OC)CC1 ZINC000581258613 336033424 /nfs/dbraw/zinc/03/34/24/336033424.db2.gz GAFSJRAGSGOUGW-NSHDSACASA-N 2 2 274.361 -0.701 20 0 CBADLP C[N@@H+]1CCN(C(=O)NC[C@@H]([NH3+])c2ccccc2)[C@@H](C[NH3+])C1 ZINC000581300013 336041441 /nfs/dbraw/zinc/04/14/41/336041441.db2.gz FBEQERHLQFBRKD-UONOGXRCSA-N 3 2 291.399 -0.029 20 0 CBADLP C[N@H+]1CCN(C(=O)NC[C@@H]([NH3+])c2ccccc2)[C@@H](C[NH3+])C1 ZINC000581300013 336041443 /nfs/dbraw/zinc/04/14/43/336041443.db2.gz FBEQERHLQFBRKD-UONOGXRCSA-N 3 2 291.399 -0.029 20 0 CBADLP COC(=O)CCNC(=O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000581311151 336045877 /nfs/dbraw/zinc/04/58/77/336045877.db2.gz IYKPEIIOXQUSTQ-MNOVXSKESA-N 2 2 269.345 -0.793 20 0 CBADLP COC(=O)CCNC(=O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000581311151 336045878 /nfs/dbraw/zinc/04/58/78/336045878.db2.gz IYKPEIIOXQUSTQ-MNOVXSKESA-N 2 2 269.345 -0.793 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+])CC1 ZINC000581310902 336045920 /nfs/dbraw/zinc/04/59/20/336045920.db2.gz SOGSRLLHSUJPPK-MNOVXSKESA-N 2 2 270.377 -0.608 20 0 CBADLP COC[C@@]1(C(=O)N[C@H](C)C[NH+]2CCOCC2)CC[NH2+]C1 ZINC000381170436 336053472 /nfs/dbraw/zinc/05/34/72/336053472.db2.gz OCHKMHYSDYFDFX-TZMCWYRMSA-N 2 2 285.388 -0.551 20 0 CBADLP OCC[N@@H+]1CCCC[C@H]1C[NH2+]C[C@@H](O)Cn1cccn1 ZINC000581370077 336062964 /nfs/dbraw/zinc/06/29/64/336062964.db2.gz IIBQPHDPKCOJPN-UONOGXRCSA-N 2 2 282.388 -0.320 20 0 CBADLP OCC[N@H+]1CCCC[C@H]1C[NH2+]C[C@@H](O)Cn1cccn1 ZINC000581370077 336062965 /nfs/dbraw/zinc/06/29/65/336062965.db2.gz IIBQPHDPKCOJPN-UONOGXRCSA-N 2 2 282.388 -0.320 20 0 CBADLP C[C@H](C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])c1cnn(C)c1 ZINC000581547246 336100042 /nfs/dbraw/zinc/10/00/42/336100042.db2.gz KGVSJEUZCPINFQ-CMPLNLGQSA-N 2 2 265.361 -0.375 20 0 CBADLP C[C@H](C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1cnn(C)c1 ZINC000581547246 336100044 /nfs/dbraw/zinc/10/00/44/336100044.db2.gz KGVSJEUZCPINFQ-CMPLNLGQSA-N 2 2 265.361 -0.375 20 0 CBADLP C[C@H](C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])c1ccnn1C ZINC000581606541 336111176 /nfs/dbraw/zinc/11/11/76/336111176.db2.gz RWVFBLVPASEPDT-QWRGUYRKSA-N 2 2 265.361 -0.375 20 0 CBADLP C[C@H](C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])c1ccnn1C ZINC000581606541 336111177 /nfs/dbraw/zinc/11/11/77/336111177.db2.gz RWVFBLVPASEPDT-QWRGUYRKSA-N 2 2 265.361 -0.375 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)[C@H]1CCC(=O)N(C)C1 ZINC000581675649 336126921 /nfs/dbraw/zinc/12/69/21/336126921.db2.gz ZRWQJXHSXAFOQB-STQMWFEESA-N 2 2 287.404 -0.522 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)[C@H]1CCC(=O)N(C)C1 ZINC000581675649 336126923 /nfs/dbraw/zinc/12/69/23/336126923.db2.gz ZRWQJXHSXAFOQB-STQMWFEESA-N 2 2 287.404 -0.522 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)[C@H]1CCC(=O)N(C)C1 ZINC000581675649 336126924 /nfs/dbraw/zinc/12/69/24/336126924.db2.gz ZRWQJXHSXAFOQB-STQMWFEESA-N 2 2 287.404 -0.522 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)[C@H]1CCC(=O)N(C)C1 ZINC000581675649 336126926 /nfs/dbraw/zinc/12/69/26/336126926.db2.gz ZRWQJXHSXAFOQB-STQMWFEESA-N 2 2 287.404 -0.522 20 0 CBADLP C[NH+]1CCN(C(=O)CSC[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000581824061 336147579 /nfs/dbraw/zinc/14/75/79/336147579.db2.gz VGKWXESJLVDJBU-LBPRGKRZSA-N 2 2 287.429 -0.176 20 0 CBADLP C[NH+]1CCN(C(=O)CSC[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000581824061 336147580 /nfs/dbraw/zinc/14/75/80/336147580.db2.gz VGKWXESJLVDJBU-LBPRGKRZSA-N 2 2 287.429 -0.176 20 0 CBADLP CCOC(=O)CC[C@H](O)C[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000385617717 336152749 /nfs/dbraw/zinc/15/27/49/336152749.db2.gz DHZITGHHXHLPGV-OLZOCXBDSA-N 2 2 287.404 -0.474 20 0 CBADLP CCOC(=O)CC[C@H](O)C[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000385617717 336152751 /nfs/dbraw/zinc/15/27/51/336152751.db2.gz DHZITGHHXHLPGV-OLZOCXBDSA-N 2 2 287.404 -0.474 20 0 CBADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)CCCC[NH3+])CC1 ZINC000581886704 336160074 /nfs/dbraw/zinc/16/00/74/336160074.db2.gz PHLJXVNITALZFR-GFCCVEGCSA-N 2 2 296.415 -0.073 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1CCO ZINC000386325759 336170702 /nfs/dbraw/zinc/17/07/02/336170702.db2.gz JFROCKUANHOIJU-QWHCGFSZSA-N 2 2 260.378 -0.228 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1CCO ZINC000386325759 336170703 /nfs/dbraw/zinc/17/07/03/336170703.db2.gz JFROCKUANHOIJU-QWHCGFSZSA-N 2 2 260.378 -0.228 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H]1CCO ZINC000386325759 336170704 /nfs/dbraw/zinc/17/07/04/336170704.db2.gz JFROCKUANHOIJU-QWHCGFSZSA-N 2 2 260.378 -0.228 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H]1CCO ZINC000386325759 336170705 /nfs/dbraw/zinc/17/07/05/336170705.db2.gz JFROCKUANHOIJU-QWHCGFSZSA-N 2 2 260.378 -0.228 20 0 CBADLP Cn1cc(C[N@H+](C)CC(=O)N2CC[NH+](C)CC2)cn1 ZINC000157391605 522438682 /nfs/dbraw/zinc/43/86/82/522438682.db2.gz JJXMFDOSCZAVOL-UHFFFAOYSA-N 2 2 265.361 -0.374 20 0 CBADLP Cn1cc(C[N@@H+](C)CC(=O)N2CC[NH+](C)CC2)cn1 ZINC000157391605 522438692 /nfs/dbraw/zinc/43/86/92/522438692.db2.gz JJXMFDOSCZAVOL-UHFFFAOYSA-N 2 2 265.361 -0.374 20 0 CBADLP CSCC[C@@H]([NH3+])C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000237518750 525542954 /nfs/dbraw/zinc/54/29/54/525542954.db2.gz GWWDLTPHKPVDGD-GHMZBOCLSA-N 2 2 275.418 -0.096 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)/C=C\C[NH+](C)C)CC1 ZINC000491843625 526623600 /nfs/dbraw/zinc/62/36/00/526623600.db2.gz JKRVAXCGIUWBFB-PLNGDYQASA-N 2 2 282.388 -0.616 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)CC[C@@H]2CCC[NH2+]2)CC1 ZINC000494651774 526624074 /nfs/dbraw/zinc/62/40/74/526624074.db2.gz VPZLYBJCWFTJOS-AWEZNQCLSA-N 2 2 296.415 -0.201 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[NH2+]C[C@H]2C(F)F)C1 ZINC000377567219 527734281 /nfs/dbraw/zinc/73/42/81/527734281.db2.gz ZEFULBCMFQDHQL-UWVGGRQHSA-N 2 2 277.315 -0.227 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[NH2+]C[C@H]2C(F)F)C1 ZINC000377567219 527734284 /nfs/dbraw/zinc/73/42/84/527734284.db2.gz ZEFULBCMFQDHQL-UWVGGRQHSA-N 2 2 277.315 -0.227 20 0 CBADLP CCC[C@@](C)([NH3+])C(=O)N1CCC[N@H+](CC(=O)NC)CC1 ZINC000376823531 527893642 /nfs/dbraw/zinc/89/36/42/527893642.db2.gz PMCMUPDUMRKGMF-CQSZACIVSA-N 2 2 284.404 -0.216 20 0 CBADLP CCC[C@@](C)([NH3+])C(=O)N1CCC[N@@H+](CC(=O)NC)CC1 ZINC000376823531 527893645 /nfs/dbraw/zinc/89/36/45/527893645.db2.gz PMCMUPDUMRKGMF-CQSZACIVSA-N 2 2 284.404 -0.216 20 0 CBADLP CC(C)[N@@H+]1CCO[C@H](C(=O)NCC[NH+]2CCCOCC2)C1 ZINC000377291732 529054175 /nfs/dbraw/zinc/05/41/75/529054175.db2.gz IHUCLJFZGPTSIX-AWEZNQCLSA-N 2 2 299.415 -0.066 20 0 CBADLP CC(C)[N@H+]1CCO[C@H](C(=O)NCC[NH+]2CCCOCC2)C1 ZINC000377291732 529054179 /nfs/dbraw/zinc/05/41/79/529054179.db2.gz IHUCLJFZGPTSIX-AWEZNQCLSA-N 2 2 299.415 -0.066 20 0 CBADLP CC(C)[NH+]1CCO[C@H](C(=O)NCC[N@@H+]2CCCOCC2)C1 ZINC000377291732 529054184 /nfs/dbraw/zinc/05/41/84/529054184.db2.gz IHUCLJFZGPTSIX-AWEZNQCLSA-N 2 2 299.415 -0.066 20 0 CBADLP CC(C)[NH+]1CCO[C@H](C(=O)NCC[N@H+]2CCCOCC2)C1 ZINC000377291732 529054190 /nfs/dbraw/zinc/05/41/90/529054190.db2.gz IHUCLJFZGPTSIX-AWEZNQCLSA-N 2 2 299.415 -0.066 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)CC1 ZINC000366431432 529130473 /nfs/dbraw/zinc/13/04/73/529130473.db2.gz JIGSARBQKRXFHG-MQYQWHSLSA-N 2 2 281.400 -0.291 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)CC1 ZINC000366431432 529130476 /nfs/dbraw/zinc/13/04/76/529130476.db2.gz JIGSARBQKRXFHG-MQYQWHSLSA-N 2 2 281.400 -0.291 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@H](CO)C2)CC1 ZINC000305234115 529130729 /nfs/dbraw/zinc/13/07/29/529130729.db2.gz ZWQPOUFWZUGPCZ-OLZOCXBDSA-N 2 2 269.389 -0.147 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@H](CO)C2)CC1 ZINC000305234115 529130731 /nfs/dbraw/zinc/13/07/31/529130731.db2.gz ZWQPOUFWZUGPCZ-OLZOCXBDSA-N 2 2 269.389 -0.147 20 0 CBADLP C[NH+]1CCC([NH2+]CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000037249986 582112471 /nfs/dbraw/zinc/11/24/71/582112471.db2.gz GVZCVSNIGYHLNU-UHFFFAOYSA-N 3 2 254.378 -0.556 20 0 CBADLP COCC[N@H+]1[C@H](C)CN(C(=O)[C@@H]2C[NH+](C)CCO2)C[C@@H]1C ZINC000122508532 582118903 /nfs/dbraw/zinc/11/89/03/582118903.db2.gz YQMXFNSHHRPDTI-MJBXVCDLSA-N 2 2 299.415 -0.115 20 0 CBADLP COCC[N@@H+]1[C@H](C)CN(C(=O)[C@@H]2C[NH+](C)CCO2)C[C@@H]1C ZINC000122508532 582118904 /nfs/dbraw/zinc/11/89/04/582118904.db2.gz YQMXFNSHHRPDTI-MJBXVCDLSA-N 2 2 299.415 -0.115 20 0 CBADLP COCC[NH+]1[C@H](C)CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@@H]1C ZINC000122508532 582118905 /nfs/dbraw/zinc/11/89/05/582118905.db2.gz YQMXFNSHHRPDTI-MJBXVCDLSA-N 2 2 299.415 -0.115 20 0 CBADLP COCC[NH+]1[C@H](C)CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@@H]1C ZINC000122508532 582118906 /nfs/dbraw/zinc/11/89/06/582118906.db2.gz YQMXFNSHHRPDTI-MJBXVCDLSA-N 2 2 299.415 -0.115 20 0 CBADLP C[C@H]1CN(C(=O)C[N@@H+]2CCC[C@@H](C[NH3+])C2)CCO1 ZINC000217545262 582128053 /nfs/dbraw/zinc/12/80/53/582128053.db2.gz XVBKGWZMPVGQBF-RYUDHWBXSA-N 2 2 255.362 -0.096 20 0 CBADLP C[C@H]1CN(C(=O)C[N@H+]2CCC[C@@H](C[NH3+])C2)CCO1 ZINC000217545262 582128054 /nfs/dbraw/zinc/12/80/54/582128054.db2.gz XVBKGWZMPVGQBF-RYUDHWBXSA-N 2 2 255.362 -0.096 20 0 CBADLP CC(C)[C@@H]([NH3+])C(=O)NCC(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000352092811 582131474 /nfs/dbraw/zinc/13/14/74/582131474.db2.gz YNKZFWJUJGNAFD-DGCLKSJQSA-N 2 2 295.387 -0.265 20 0 CBADLP CN(C(=O)Cn1cc[nH+]c1)[C@H]1CC[N@@H+]2CCO[C@H]1C2 ZINC000576166001 582133270 /nfs/dbraw/zinc/13/32/70/582133270.db2.gz ACTJSCLCZWYDPI-RYUDHWBXSA-N 2 2 264.329 -0.185 20 0 CBADLP CN1CC[N@H+](C)[C@H](CNC(=S)NCCC[NH+](C)C)C1 ZINC000731948426 582155883 /nfs/dbraw/zinc/15/58/83/582155883.db2.gz ZGMQYVJUJPPQDB-GFCCVEGCSA-N 2 2 287.477 -0.352 20 0 CBADLP CN1CC[N@@H+](C)[C@H](CNC(=S)NCCC[NH+](C)C)C1 ZINC000731948426 582155884 /nfs/dbraw/zinc/15/58/84/582155884.db2.gz ZGMQYVJUJPPQDB-GFCCVEGCSA-N 2 2 287.477 -0.352 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=S)NCC(N)=O)C2)CC1 ZINC000732720566 582160605 /nfs/dbraw/zinc/16/06/05/582160605.db2.gz KQHFOYLDTMFSPD-SNVBAGLBSA-N 2 2 299.444 -0.896 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=S)NCC(N)=O)C2)CC1 ZINC000732720566 582160606 /nfs/dbraw/zinc/16/06/06/582160606.db2.gz KQHFOYLDTMFSPD-SNVBAGLBSA-N 2 2 299.444 -0.896 20 0 CBADLP NS(=O)(=O)CC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000740876775 582265651 /nfs/dbraw/zinc/26/56/51/582265651.db2.gz DWSRYYZGSQLDKP-SNVBAGLBSA-N 2 2 258.347 -0.192 20 0 CBADLP NS(=O)(=O)CC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000740876775 582265652 /nfs/dbraw/zinc/26/56/52/582265652.db2.gz DWSRYYZGSQLDKP-SNVBAGLBSA-N 2 2 258.347 -0.192 20 0 CBADLP Cn1ncc2c1nc[nH+]c2NCC(=O)N1CC[NH+](C)CC1 ZINC000744170835 582279005 /nfs/dbraw/zinc/27/90/05/582279005.db2.gz PJGTYZFCVGUPNC-UHFFFAOYSA-N 2 2 289.343 -0.451 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)N(C)CC[NH+](C)C)CCO1 ZINC000747585178 582286540 /nfs/dbraw/zinc/28/65/40/582286540.db2.gz PRUPAWVWOCPUGR-GFCCVEGCSA-N 2 2 272.393 -0.090 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)N(C)CC[NH+](C)C)CCO1 ZINC000747585178 582286541 /nfs/dbraw/zinc/28/65/41/582286541.db2.gz PRUPAWVWOCPUGR-GFCCVEGCSA-N 2 2 272.393 -0.090 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)CC[NH+]1CCOCC1 ZINC000750853649 582292095 /nfs/dbraw/zinc/29/20/95/582292095.db2.gz GPQFYIAWGPDJCO-CYBMUJFWSA-N 2 2 285.388 -0.454 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)NCC[NH+]2CCC2)CCO1 ZINC000752660304 582295380 /nfs/dbraw/zinc/29/53/80/582295380.db2.gz CQFNYHADEXGJME-LBPRGKRZSA-N 2 2 270.377 -0.288 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)NCC[NH+]2CCC2)CCO1 ZINC000752660304 582295381 /nfs/dbraw/zinc/29/53/81/582295381.db2.gz CQFNYHADEXGJME-LBPRGKRZSA-N 2 2 270.377 -0.288 20 0 CBADLP NC(=O)C[N@@H+]1CCCN(c2cc[nH+]cc2C(N)=O)CC1 ZINC000757837968 582306122 /nfs/dbraw/zinc/30/61/22/582306122.db2.gz LARIDEPDTBQTAU-UHFFFAOYSA-N 2 2 277.328 -0.822 20 0 CBADLP NC(=O)C[N@H+]1CCCN(c2cc[nH+]cc2C(N)=O)CC1 ZINC000757837968 582306123 /nfs/dbraw/zinc/30/61/23/582306123.db2.gz LARIDEPDTBQTAU-UHFFFAOYSA-N 2 2 277.328 -0.822 20 0 CBADLP CC[C@@H](CO)[NH+]1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000759631864 582310397 /nfs/dbraw/zinc/31/03/97/582310397.db2.gz MBSKVPZWNFRATF-AWEZNQCLSA-N 2 2 299.415 -0.376 20 0 CBADLP C[S@](=O)CC[NH+]1CCN(c2cc[nH+]cc2C(N)=O)CC1 ZINC000762801927 582318269 /nfs/dbraw/zinc/31/82/69/582318269.db2.gz SRKXJAWPLICORQ-FQEVSTJZSA-N 2 2 296.396 -0.319 20 0 CBADLP C[NH+](C)C1(C(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)CCC1 ZINC000763050860 582319277 /nfs/dbraw/zinc/31/92/77/582319277.db2.gz DAJQPYNXPBCIIU-UHFFFAOYSA-N 2 2 296.415 -0.121 20 0 CBADLP C[C@@H](NC(=S)NCC[NH+](C)C)[C@@H]1C[N@H+](C)CCO1 ZINC000769791913 582336637 /nfs/dbraw/zinc/33/66/37/582336637.db2.gz IAQBTGOIGJXYJR-MNOVXSKESA-N 2 2 274.434 -0.269 20 0 CBADLP C[C@@H](NC(=S)NCC[NH+](C)C)[C@@H]1C[N@@H+](C)CCO1 ZINC000769791913 582336638 /nfs/dbraw/zinc/33/66/38/582336638.db2.gz IAQBTGOIGJXYJR-MNOVXSKESA-N 2 2 274.434 -0.269 20 0 CBADLP CON(C)C(=O)CN(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000774727967 582351191 /nfs/dbraw/zinc/35/11/91/582351191.db2.gz IARMVOSOFCEWKQ-UHFFFAOYSA-N 2 2 286.420 -0.036 20 0 CBADLP CON(C)C(=O)CN(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000774727967 582351192 /nfs/dbraw/zinc/35/11/92/582351192.db2.gz IARMVOSOFCEWKQ-UHFFFAOYSA-N 2 2 286.420 -0.036 20 0 CBADLP CON(C)C(=O)C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000774727967 582351193 /nfs/dbraw/zinc/35/11/93/582351193.db2.gz IARMVOSOFCEWKQ-UHFFFAOYSA-N 2 2 286.420 -0.036 20 0 CBADLP CON(C)C(=O)C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000774727967 582351194 /nfs/dbraw/zinc/35/11/94/582351194.db2.gz IARMVOSOFCEWKQ-UHFFFAOYSA-N 2 2 286.420 -0.036 20 0 CBADLP CON(C)C(=O)C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000778953544 582360104 /nfs/dbraw/zinc/36/01/04/582360104.db2.gz NTVIPHJFKDEBRM-UHFFFAOYSA-N 2 2 272.393 -0.425 20 0 CBADLP CON(C)C(=O)C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000778953544 582360105 /nfs/dbraw/zinc/36/01/05/582360105.db2.gz NTVIPHJFKDEBRM-UHFFFAOYSA-N 2 2 272.393 -0.425 20 0 CBADLP Cn1ncc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000786146379 582378017 /nfs/dbraw/zinc/37/80/17/582378017.db2.gz ZWACLXJPDVKHHA-NSHDSACASA-N 2 2 292.387 -0.287 20 0 CBADLP Cn1ncc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000786146379 582378018 /nfs/dbraw/zinc/37/80/18/582378018.db2.gz ZWACLXJPDVKHHA-NSHDSACASA-N 2 2 292.387 -0.287 20 0 CBADLP S=C(NCC[NH+]1CCOCC1)N1CC[NH+]2CCC1CC2 ZINC000787197051 582380503 /nfs/dbraw/zinc/38/05/03/582380503.db2.gz CUSDZUXTQGJOKN-UHFFFAOYSA-N 2 2 298.456 -0.027 20 0 CBADLP C[C@@H](CNC(=S)NCC[NH+]1CCOCC1)C[NH+](C)C ZINC000793261062 582397287 /nfs/dbraw/zinc/39/72/87/582397287.db2.gz WHUMXXSBKXMJAF-LBPRGKRZSA-N 2 2 288.461 -0.020 20 0 CBADLP C[N@@H+]1CC[C@@]2(CC[NH+]([C@@H]3CCC(=O)NC3=O)C2)C1 ZINC000795332155 582408504 /nfs/dbraw/zinc/40/85/04/582408504.db2.gz GJTCPKSPPUYXTI-ZWNOBZJWSA-N 2 2 251.330 -0.181 20 0 CBADLP C[N@H+]1CC[C@@]2(CC[NH+]([C@@H]3CCC(=O)NC3=O)C2)C1 ZINC000795332155 582408505 /nfs/dbraw/zinc/40/85/05/582408505.db2.gz GJTCPKSPPUYXTI-ZWNOBZJWSA-N 2 2 251.330 -0.181 20 0 CBADLP C[NH+]1CC[C@@]2(CC[N@@H+]([C@@H]3CCC(=O)NC3=O)C2)C1 ZINC000795332155 582408506 /nfs/dbraw/zinc/40/85/06/582408506.db2.gz GJTCPKSPPUYXTI-ZWNOBZJWSA-N 2 2 251.330 -0.181 20 0 CBADLP C[NH+]1CC[C@@]2(CC[N@H+]([C@@H]3CCC(=O)NC3=O)C2)C1 ZINC000795332155 582408507 /nfs/dbraw/zinc/40/85/07/582408507.db2.gz GJTCPKSPPUYXTI-ZWNOBZJWSA-N 2 2 251.330 -0.181 20 0 CBADLP C[NH+](C)C1(C(=O)N(CCO)CC[NH+]2CCOCC2)CCC1 ZINC000801174368 582423687 /nfs/dbraw/zinc/42/36/87/582423687.db2.gz NWUJFVHLTKYISQ-UHFFFAOYSA-N 2 2 299.415 -0.376 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)OCCC[NH+]2CCOCC2)C1 ZINC000805469725 582433242 /nfs/dbraw/zinc/43/32/42/582433242.db2.gz PDZRDDLMRICHDC-CYBMUJFWSA-N 2 2 286.372 -0.027 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)OCCC[NH+]2CCOCC2)C1 ZINC000805469725 582433243 /nfs/dbraw/zinc/43/32/43/582433243.db2.gz PDZRDDLMRICHDC-CYBMUJFWSA-N 2 2 286.372 -0.027 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)OCC[NH+]2CCO[C@@H](C)C2)C1 ZINC000805468194 582433251 /nfs/dbraw/zinc/43/32/51/582433251.db2.gz CTPJKMBDRALCEN-STQMWFEESA-N 2 2 286.372 -0.029 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)OCC[NH+]2CCO[C@@H](C)C2)C1 ZINC000805468194 582433252 /nfs/dbraw/zinc/43/32/52/582433252.db2.gz CTPJKMBDRALCEN-STQMWFEESA-N 2 2 286.372 -0.029 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)OCC[N@@H+]2CCO[C@@H](C)C2)C1 ZINC000805468194 582433253 /nfs/dbraw/zinc/43/32/53/582433253.db2.gz CTPJKMBDRALCEN-STQMWFEESA-N 2 2 286.372 -0.029 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)OCC[N@H+]2CCO[C@@H](C)C2)C1 ZINC000805468194 582433254 /nfs/dbraw/zinc/43/32/54/582433254.db2.gz CTPJKMBDRALCEN-STQMWFEESA-N 2 2 286.372 -0.029 20 0 CBADLP C[N@H+](C[C@H](O)C[NH2+]C1(CO)COC(C)(C)OC1)C1CC1 ZINC000812838234 582453115 /nfs/dbraw/zinc/45/31/15/582453115.db2.gz OAVRYLAKAQGUEB-GFCCVEGCSA-N 2 2 288.388 -0.455 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH2+]C1(CO)COC(C)(C)OC1)C1CC1 ZINC000812838234 582453116 /nfs/dbraw/zinc/45/31/16/582453116.db2.gz OAVRYLAKAQGUEB-GFCCVEGCSA-N 2 2 288.388 -0.455 20 0 CBADLP Cn1ncc(C[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)n1 ZINC000815123336 582461081 /nfs/dbraw/zinc/46/10/81/582461081.db2.gz CHQCZIIQHKZRIA-LLVKDONJSA-N 2 2 280.376 -0.508 20 0 CBADLP Cn1ncc(C[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)n1 ZINC000815123336 582461082 /nfs/dbraw/zinc/46/10/82/582461082.db2.gz CHQCZIIQHKZRIA-LLVKDONJSA-N 2 2 280.376 -0.508 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)CC1 ZINC000817912759 582496439 /nfs/dbraw/zinc/49/64/39/582496439.db2.gz IBHVTDPWBXHPIU-HNNXBMFYSA-N 2 2 294.399 -0.495 20 0 CBADLP CC(C)[C@@H](C[NH2+]CCS(C)(=O)=O)N1CC[NH+](C)CC1 ZINC000819059189 582525632 /nfs/dbraw/zinc/52/56/32/582525632.db2.gz BTMQVALEJZEXON-CYBMUJFWSA-N 2 2 291.461 -0.107 20 0 CBADLP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000821091836 582592656 /nfs/dbraw/zinc/59/26/56/582592656.db2.gz JBYDFHRAGAKQOS-NEPJUHHUSA-N 2 2 255.362 -0.083 20 0 CBADLP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000821091836 582592660 /nfs/dbraw/zinc/59/26/60/582592660.db2.gz JBYDFHRAGAKQOS-NEPJUHHUSA-N 2 2 255.362 -0.083 20 0 CBADLP C[N@H+](CC(=O)NCCC[NH+]1CCNC(=O)C1)CC(C)(C)C ZINC000821248371 582596675 /nfs/dbraw/zinc/59/66/75/582596675.db2.gz YELOCGJDHAFBDV-UHFFFAOYSA-N 2 2 298.431 -0.098 20 0 CBADLP C[N@@H+](CC(=O)NCCC[NH+]1CCNC(=O)C1)CC(C)(C)C ZINC000821248371 582596677 /nfs/dbraw/zinc/59/66/77/582596677.db2.gz YELOCGJDHAFBDV-UHFFFAOYSA-N 2 2 298.431 -0.098 20 0 CBADLP C[NH+](CC(=O)NCCC[N@@H+]1CCNC(=O)C1)CC(C)(C)C ZINC000821248371 582596678 /nfs/dbraw/zinc/59/66/78/582596678.db2.gz YELOCGJDHAFBDV-UHFFFAOYSA-N 2 2 298.431 -0.098 20 0 CBADLP C[NH+](CC(=O)NCCC[N@H+]1CCNC(=O)C1)CC(C)(C)C ZINC000821248371 582596680 /nfs/dbraw/zinc/59/66/80/582596680.db2.gz YELOCGJDHAFBDV-UHFFFAOYSA-N 2 2 298.431 -0.098 20 0 CBADLP C[C@@H]1C[N@H+](CCO)CCN1C(=O)/C=C/c1cn(C)c[nH+]1 ZINC000822158740 582628354 /nfs/dbraw/zinc/62/83/54/582628354.db2.gz JZBAKUAZAWORHB-AAOUONPWSA-N 2 2 278.356 -0.042 20 0 CBADLP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)/C=C/c1cn(C)c[nH+]1 ZINC000822158740 582628356 /nfs/dbraw/zinc/62/83/56/582628356.db2.gz JZBAKUAZAWORHB-AAOUONPWSA-N 2 2 278.356 -0.042 20 0 CBADLP CC[N@@H+]1CCO[C@H](c2nc(N3CC[NH2+]CC3)no2)C1 ZINC000823299971 582665605 /nfs/dbraw/zinc/66/56/05/582665605.db2.gz KGLCZKGDYPRULC-JTQLQIEISA-N 2 2 267.333 -0.128 20 0 CBADLP CC[N@H+]1CCO[C@H](c2nc(N3CC[NH2+]CC3)no2)C1 ZINC000823299971 582665608 /nfs/dbraw/zinc/66/56/08/582665608.db2.gz KGLCZKGDYPRULC-JTQLQIEISA-N 2 2 267.333 -0.128 20 0 CBADLP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H](C)[N@H+]1CCO ZINC000823374796 582667658 /nfs/dbraw/zinc/66/76/58/582667658.db2.gz ZMQZJKFLXYPIMX-BETUJISGSA-N 2 2 269.389 -0.004 20 0 CBADLP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H](C)[N@@H+]1CCO ZINC000823374796 582667661 /nfs/dbraw/zinc/66/76/61/582667661.db2.gz ZMQZJKFLXYPIMX-BETUJISGSA-N 2 2 269.389 -0.004 20 0 CBADLP CC(C)(O)C[NH+]1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000826674685 582785753 /nfs/dbraw/zinc/78/57/53/582785753.db2.gz WNARRXIHZNLWHQ-UHFFFAOYSA-N 2 2 266.345 -0.133 20 0 CBADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C)C[C@H]1CO ZINC000826707791 582786377 /nfs/dbraw/zinc/78/63/77/582786377.db2.gz NARAXHUOWJXYOR-STQMWFEESA-N 2 2 269.389 -0.006 20 0 CBADLP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C)C[C@H]1CO ZINC000826707791 582786378 /nfs/dbraw/zinc/78/63/78/582786378.db2.gz NARAXHUOWJXYOR-STQMWFEESA-N 2 2 269.389 -0.006 20 0 CBADLP CC(C)[NH+]1CCC[C@H]1C(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000826707791 582786380 /nfs/dbraw/zinc/78/63/80/582786380.db2.gz NARAXHUOWJXYOR-STQMWFEESA-N 2 2 269.389 -0.006 20 0 CBADLP CC(C)[NH+]1CCC[C@H]1C(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000826707791 582786383 /nfs/dbraw/zinc/78/63/83/582786383.db2.gz NARAXHUOWJXYOR-STQMWFEESA-N 2 2 269.389 -0.006 20 0 CBADLP C[NH+]1CCC(OCC(=O)NC[C@@H]2COCC[N@@H+]2C)CC1 ZINC000827429263 582816590 /nfs/dbraw/zinc/81/65/90/582816590.db2.gz XMEMTOYAQSSVPT-GFCCVEGCSA-N 2 2 285.388 -0.456 20 0 CBADLP C[NH+]1CCC(OCC(=O)NC[C@@H]2COCC[N@H+]2C)CC1 ZINC000827429263 582816591 /nfs/dbraw/zinc/81/65/91/582816591.db2.gz XMEMTOYAQSSVPT-GFCCVEGCSA-N 2 2 285.388 -0.456 20 0 CBADLP C[C@H](CNC(=O)C[C@H]([NH3+])C1CC1)[NH+]1CCN(C)CC1 ZINC000829918602 582906383 /nfs/dbraw/zinc/90/63/83/582906383.db2.gz TUIZCNXIZCGXRH-YPMHNXCESA-N 2 2 268.405 -0.134 20 0 CBADLP C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H]1C[N@H+](C)CCO1 ZINC000830628497 582936156 /nfs/dbraw/zinc/93/61/56/582936156.db2.gz SAJOPQCGSVIZTM-NXEZZACHSA-N 2 2 252.318 -0.213 20 0 CBADLP C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H]1C[N@@H+](C)CCO1 ZINC000830628497 582936157 /nfs/dbraw/zinc/93/61/57/582936157.db2.gz SAJOPQCGSVIZTM-NXEZZACHSA-N 2 2 252.318 -0.213 20 0 CBADLP CC[C@H](CO)[NH+]1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000830642221 582936758 /nfs/dbraw/zinc/93/67/58/582936758.db2.gz NUUDLVWZLRKIJB-LLVKDONJSA-N 2 2 266.345 -0.133 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](O)C[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000830896318 582943471 /nfs/dbraw/zinc/94/34/71/582943471.db2.gz IAALKXSPFNEZCM-UPJWGTAASA-N 2 2 286.372 -0.701 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000830896318 582943473 /nfs/dbraw/zinc/94/34/73/582943473.db2.gz IAALKXSPFNEZCM-UPJWGTAASA-N 2 2 286.372 -0.701 20 0 CBADLP C[N@@H+]1CCN(C(=O)NCCCCCC[NH3+])[C@H](C[NH3+])C1 ZINC000831291403 582974753 /nfs/dbraw/zinc/97/47/53/582974753.db2.gz MWPUZDCPPWOFTL-GFCCVEGCSA-N 3 2 271.409 -0.210 20 0 CBADLP C[N@H+]1CCN(C(=O)NCCCCCC[NH3+])[C@H](C[NH3+])C1 ZINC000831291403 582974754 /nfs/dbraw/zinc/97/47/54/582974754.db2.gz MWPUZDCPPWOFTL-GFCCVEGCSA-N 3 2 271.409 -0.210 20 0 CBADLP CN(C(=O)c1n[nH]c2c1C[NH2+]CC2)[C@H](C[NH3+])C1CC1 ZINC000842509589 583184583 /nfs/dbraw/zinc/18/45/83/583184583.db2.gz GHQWBILONXXXBZ-LLVKDONJSA-N 2 2 263.345 -0.135 20 0 CBADLP Cn1ncc(C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)n1 ZINC000843346874 583211223 /nfs/dbraw/zinc/21/12/23/583211223.db2.gz PDBDPFWOYXOLCT-LBPRGKRZSA-N 2 2 292.387 -0.541 20 0 CBADLP Cn1ncc(C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)n1 ZINC000843346874 583211226 /nfs/dbraw/zinc/21/12/26/583211226.db2.gz PDBDPFWOYXOLCT-LBPRGKRZSA-N 2 2 292.387 -0.541 20 0 CBADLP CC(=O)N1CSC[C@@H]1C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000843357131 583212563 /nfs/dbraw/zinc/21/25/63/583212563.db2.gz DJJHCYDWHCHQNA-WDEREUQCSA-N 2 2 286.401 -0.991 20 0 CBADLP CC(=O)N1CSC[C@@H]1C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000843357131 583212566 /nfs/dbraw/zinc/21/25/66/583212566.db2.gz DJJHCYDWHCHQNA-WDEREUQCSA-N 2 2 286.401 -0.991 20 0 CBADLP COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000844139177 583254293 /nfs/dbraw/zinc/25/42/93/583254293.db2.gz MKUODDUJVVGDNI-UTUOFQBUSA-N 2 2 294.355 -0.119 20 0 CBADLP COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000844139177 583254296 /nfs/dbraw/zinc/25/42/96/583254296.db2.gz MKUODDUJVVGDNI-UTUOFQBUSA-N 2 2 294.355 -0.119 20 0 CBADLP CC1(C)C[N@H+](CCNC(=O)CO[C@H]2CCC[NH2+]C2)CCO1 ZINC000844178693 583257768 /nfs/dbraw/zinc/25/77/68/583257768.db2.gz HXYAUQBSYVHRDN-ZDUSSCGKSA-N 2 2 299.415 -0.018 20 0 CBADLP CC1(C)C[N@@H+](CCNC(=O)CO[C@H]2CCC[NH2+]C2)CCO1 ZINC000844178693 583257772 /nfs/dbraw/zinc/25/77/72/583257772.db2.gz HXYAUQBSYVHRDN-ZDUSSCGKSA-N 2 2 299.415 -0.018 20 0 CBADLP COC(C[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1)OC ZINC000844377377 583268736 /nfs/dbraw/zinc/26/87/36/583268736.db2.gz XWHNZRFZPNWOOA-UHFFFAOYSA-N 2 2 259.350 -0.689 20 0 CBADLP COC(C[N@H+]1CCN(CC[NH+](C)C)C(=O)C1)OC ZINC000844377377 583268738 /nfs/dbraw/zinc/26/87/38/583268738.db2.gz XWHNZRFZPNWOOA-UHFFFAOYSA-N 2 2 259.350 -0.689 20 0 CBADLP CCCOC(=O)CCNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000846670173 583381732 /nfs/dbraw/zinc/38/17/32/583381732.db2.gz MFNMDAUMVVGQMI-JTQLQIEISA-N 2 2 259.350 -0.275 20 0 CBADLP CCO[C@@H]1CN(C(=O)c2n[nH]c3c2C[NH2+]CC3)C[C@H]1C[NH3+] ZINC000846694992 583383934 /nfs/dbraw/zinc/38/39/34/583383934.db2.gz HKCFCRJLHFQPOA-BXKDBHETSA-N 2 2 293.371 -0.509 20 0 CBADLP C[C@@H]1CCC[N@@H+]1CCNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000846716617 583385928 /nfs/dbraw/zinc/38/59/28/583385928.db2.gz DFCVWIHDOANTRO-VXGBXAGGSA-N 3 2 256.394 -0.134 20 0 CBADLP C[C@@H]1CCC[N@H+]1CCNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000846716617 583385931 /nfs/dbraw/zinc/38/59/31/583385931.db2.gz DFCVWIHDOANTRO-VXGBXAGGSA-N 3 2 256.394 -0.134 20 0 CBADLP O=C1CC[C@@H]([NH+]2CCN(c3[nH]cc[nH+]3)CC2)C(=O)N1 ZINC000846877268 583390982 /nfs/dbraw/zinc/39/09/82/583390982.db2.gz JJECEPNFISRMFU-SECBINFHSA-N 2 2 263.301 -0.663 20 0 CBADLP [NH2+]=C(NCCC[NH+]1CCOCC1)NCC[NH+]1CCC1 ZINC000849014642 583468225 /nfs/dbraw/zinc/46/82/25/583468225.db2.gz ILXXYXAKAAJFGR-UHFFFAOYSA-N 3 2 269.393 -0.472 20 0 CBADLP C[NH+](C)CC(=O)N1CC[NH+](CCOC(F)F)CC1 ZINC000851725561 583523563 /nfs/dbraw/zinc/52/35/63/583523563.db2.gz FPBLYCRUXRIHIN-UHFFFAOYSA-N 2 2 265.304 -0.069 20 0 CBADLP C[NH+](C)CCN1CC[N@H+](C[C@H]2COC(C)(C)O2)CC1=O ZINC000852211634 583541217 /nfs/dbraw/zinc/54/12/17/583541217.db2.gz VFOUTJDTBOMEPI-LBPRGKRZSA-N 2 2 285.388 -0.156 20 0 CBADLP C[NH+](C)CCN1CC[N@@H+](C[C@H]2COC(C)(C)O2)CC1=O ZINC000852211634 583541220 /nfs/dbraw/zinc/54/12/20/583541220.db2.gz VFOUTJDTBOMEPI-LBPRGKRZSA-N 2 2 285.388 -0.156 20 0 CBADLP O=C1N[C@@H]2C[N@H+](C[C@H]3C[NH2+]CCO3)CC[C@H]2CO1 ZINC000852752765 583551656 /nfs/dbraw/zinc/55/16/56/583551656.db2.gz KZBZENQUYMHRBS-HBNTYKKESA-N 2 2 255.318 -0.595 20 0 CBADLP O=C1N[C@@H]2C[N@@H+](C[C@H]3C[NH2+]CCO3)CC[C@H]2CO1 ZINC000852752765 583551657 /nfs/dbraw/zinc/55/16/57/583551657.db2.gz KZBZENQUYMHRBS-HBNTYKKESA-N 2 2 255.318 -0.595 20 0 CBADLP O=C1OCCN1[C@H]1CC[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000852755190 583552024 /nfs/dbraw/zinc/55/20/24/583552024.db2.gz GRSANFXYLQRNDR-WDEREUQCSA-N 2 2 255.318 -0.499 20 0 CBADLP O=C1OCCN1[C@H]1CC[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000852755190 583552026 /nfs/dbraw/zinc/55/20/26/583552026.db2.gz GRSANFXYLQRNDR-WDEREUQCSA-N 2 2 255.318 -0.499 20 0 CBADLP [NH3+]C[C@H]1CC(C(=O)N2CCN(c3cccc[nH+]3)CC2)=NO1 ZINC000852854863 583561443 /nfs/dbraw/zinc/56/14/43/583561443.db2.gz RSGSWKDPGDEOEG-LLVKDONJSA-N 2 2 289.339 -0.166 20 0 CBADLP CCOCC[NH+]1CCN(C(=O)C2=NO[C@H](C[NH3+])C2)CC1 ZINC000852858342 583561775 /nfs/dbraw/zinc/56/17/75/583561775.db2.gz ZGTDRPIKQDIGCE-NSHDSACASA-N 2 2 284.360 -0.729 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)C=C2CC[NH2+]CC2)CC1 ZINC000852858894 583562046 /nfs/dbraw/zinc/56/20/46/583562046.db2.gz JSADUXGHFAVTEY-UHFFFAOYSA-N 2 2 294.399 -0.424 20 0 CBADLP [NH3+]C[C@@H]1CC(C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)=NO1 ZINC000852860762 583562449 /nfs/dbraw/zinc/56/24/49/583562449.db2.gz JQDHZOIHMMHMQW-RYUDHWBXSA-N 2 2 296.371 -0.587 20 0 CBADLP COc1c(C)c[nH+]c(CNC(=O)C2(O)C[NH2+]C2)c1C ZINC000852862538 583562877 /nfs/dbraw/zinc/56/28/77/583562877.db2.gz AFCZRYZVHJFRAH-UHFFFAOYSA-N 2 2 265.313 -0.342 20 0 CBADLP C[N@@H+]1CCO[C@@H](CNC(=O)C=C2CC[NH2+]CC2)C1 ZINC000852883875 583567685 /nfs/dbraw/zinc/56/76/85/583567685.db2.gz QDRIYCUWZGJIHD-LBPRGKRZSA-N 2 2 253.346 -0.257 20 0 CBADLP C[N@H+]1CCO[C@@H](CNC(=O)C=C2CC[NH2+]CC2)C1 ZINC000852883875 583567686 /nfs/dbraw/zinc/56/76/86/583567686.db2.gz QDRIYCUWZGJIHD-LBPRGKRZSA-N 2 2 253.346 -0.257 20 0 CBADLP [NH3+]C[C@@H]1CC(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)=NO1 ZINC000852886076 583568712 /nfs/dbraw/zinc/56/87/12/583568712.db2.gz GSAUXGJXMPBKNT-MNOVXSKESA-N 2 2 289.339 -0.120 20 0 CBADLP COC(=O)N(C)CCN(C)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000852910126 583573789 /nfs/dbraw/zinc/57/37/89/583573789.db2.gz MZVALEDAJNAEBJ-SNVBAGLBSA-N 2 2 274.365 -0.578 20 0 CBADLP C[NH+](C)CCN1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000854297396 583598372 /nfs/dbraw/zinc/59/83/72/583598372.db2.gz RIDLETVRNBHKED-UHFFFAOYSA-N 2 2 265.361 -0.342 20 0 CBADLP C[NH+](C)C[C@@H](CO)NC(=O)c1cccc2[nH+]ccn21 ZINC000854466878 583604452 /nfs/dbraw/zinc/60/44/52/583604452.db2.gz NHHAKZFOWYLNMJ-JTQLQIEISA-N 2 2 262.313 -0.013 20 0 CBADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H](C)[N@H+]1CCO ZINC000854826836 583624220 /nfs/dbraw/zinc/62/42/20/583624220.db2.gz WOASWDDJVBIBMM-PHIMTYICSA-N 2 2 266.345 -0.134 20 0 CBADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H](C)[N@@H+]1CCO ZINC000854826836 583624223 /nfs/dbraw/zinc/62/42/23/583624223.db2.gz WOASWDDJVBIBMM-PHIMTYICSA-N 2 2 266.345 -0.134 20 0 CBADLP C[C@H]1C[N@H+](CCO)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000854896863 583627587 /nfs/dbraw/zinc/62/75/87/583627587.db2.gz QESANMBGJIYMBV-JTQLQIEISA-N 2 2 252.318 -0.523 20 0 CBADLP C[C@H]1C[N@@H+](CCO)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000854896863 583627590 /nfs/dbraw/zinc/62/75/90/583627590.db2.gz QESANMBGJIYMBV-JTQLQIEISA-N 2 2 252.318 -0.523 20 0 CBADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)[C@@H](C)C[N@@H+]1CCO ZINC000854955209 583629750 /nfs/dbraw/zinc/62/97/50/583629750.db2.gz QRIZIFDFXGRDIO-MNOVXSKESA-N 2 2 266.345 -0.134 20 0 CBADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)[C@@H](C)C[N@H+]1CCO ZINC000854955209 583629751 /nfs/dbraw/zinc/62/97/51/583629751.db2.gz QRIZIFDFXGRDIO-MNOVXSKESA-N 2 2 266.345 -0.134 20 0 CBADLP CN1CC[C@@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)CC1=O ZINC000855417274 583638930 /nfs/dbraw/zinc/63/89/30/583638930.db2.gz WPGPKCVXQGNKJS-CYBMUJFWSA-N 2 2 298.431 -0.146 20 0 CBADLP CN1CC[C@@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)CC1=O ZINC000855417274 583638933 /nfs/dbraw/zinc/63/89/33/583638933.db2.gz WPGPKCVXQGNKJS-CYBMUJFWSA-N 2 2 298.431 -0.146 20 0 CBADLP CCn1ncc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)n1 ZINC000857087273 583663659 /nfs/dbraw/zinc/66/36/59/583663659.db2.gz RNQISGVOJDQICP-ZDUSSCGKSA-N 2 2 264.377 -0.223 20 0 CBADLP CCn1ncc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)n1 ZINC000857087273 583663661 /nfs/dbraw/zinc/66/36/61/583663661.db2.gz RNQISGVOJDQICP-ZDUSSCGKSA-N 2 2 264.377 -0.223 20 0 CBADLP CC[N@@H+]1CCOC[C@H]1C(=O)NC1CC([NH+](C)C)C1 ZINC000857227985 583667573 /nfs/dbraw/zinc/66/75/73/583667573.db2.gz CQJILBOCZBZILZ-MCIGGMRASA-N 2 2 255.362 -0.084 20 0 CBADLP CC[N@H+]1CCOC[C@H]1C(=O)NC1CC([NH+](C)C)C1 ZINC000857227985 583667574 /nfs/dbraw/zinc/66/75/74/583667574.db2.gz CQJILBOCZBZILZ-MCIGGMRASA-N 2 2 255.362 -0.084 20 0 CBADLP O=C(N[C@H]1CCn2c[nH+]cc2C1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000857948930 583685508 /nfs/dbraw/zinc/68/55/08/583685508.db2.gz UCTCLMRHEGZFPX-GXTWGEPZSA-N 2 2 289.383 -0.296 20 0 CBADLP O=C(N[C@H]1CCn2c[nH+]cc2C1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000857948930 583685510 /nfs/dbraw/zinc/68/55/10/583685510.db2.gz UCTCLMRHEGZFPX-GXTWGEPZSA-N 2 2 289.383 -0.296 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCn3c[nH+]cc32)C1 ZINC000857982445 583685921 /nfs/dbraw/zinc/68/59/21/583685921.db2.gz IRLWOIYBDOZZQZ-KOLCDFICSA-N 2 2 250.302 -0.225 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCn3c[nH+]cc32)C1 ZINC000857982445 583685923 /nfs/dbraw/zinc/68/59/23/583685923.db2.gz IRLWOIYBDOZZQZ-KOLCDFICSA-N 2 2 250.302 -0.225 20 0 CBADLP O=C(N[C@H]1CCn2c[nH+]cc21)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000857981239 583686020 /nfs/dbraw/zinc/68/60/20/583686020.db2.gz YCBZFDQBCBDXLN-WCQYABFASA-N 2 2 275.356 -0.166 20 0 CBADLP O=C(N[C@H]1CCn2c[nH+]cc21)[C@H]1C[N@H+]2CCN1CCC2 ZINC000857981239 583686022 /nfs/dbraw/zinc/68/60/22/583686022.db2.gz YCBZFDQBCBDXLN-WCQYABFASA-N 2 2 275.356 -0.166 20 0 CBADLP OCc1cc(NC[C@@H](O)C[NH+]2CCOCC2)cc[nH+]1 ZINC000858321997 583691315 /nfs/dbraw/zinc/69/13/15/583691315.db2.gz JYLUOIUIKXBTNY-CYBMUJFWSA-N 2 2 267.329 -0.321 20 0 CBADLP C[C@H]1C[NH+]=C(N2CCN(c3nc(N)[nH+]c(N)n3)CC2)S1 ZINC000858424720 583694634 /nfs/dbraw/zinc/69/46/34/583694634.db2.gz YHYVTAROCRZHRP-ZETCQYMHSA-N 2 2 294.388 -0.351 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2C[C@@H]3COC(=O)[C@@H]3C2)CC1 ZINC000860158523 583739855 /nfs/dbraw/zinc/73/98/55/583739855.db2.gz ONLWKJRZYLYBGY-JHJVBQTASA-N 2 2 295.383 -0.356 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2C[C@@H]3COC(=O)[C@@H]3C2)CC1 ZINC000860158523 583739857 /nfs/dbraw/zinc/73/98/57/583739857.db2.gz ONLWKJRZYLYBGY-JHJVBQTASA-N 2 2 295.383 -0.356 20 0 CBADLP C[C@@H]([NH3+])CN(C)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000861555293 583770283 /nfs/dbraw/zinc/77/02/83/583770283.db2.gz LPLJIDTXGUXZEA-MNOVXSKESA-N 2 2 258.366 -0.304 20 0 CBADLP C[C@@H]([NH3+])CN(C)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000861627524 583773023 /nfs/dbraw/zinc/77/30/23/583773023.db2.gz OJUOANOAPJSWPW-LLVKDONJSA-N 2 2 270.377 -0.160 20 0 CBADLP C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000861767335 583785399 /nfs/dbraw/zinc/78/53/99/583785399.db2.gz PFZDXPACLAAEJI-UWVGGRQHSA-N 2 2 267.333 -0.807 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC000862973404 583829731 /nfs/dbraw/zinc/82/97/31/583829731.db2.gz NDXSQDJZVOEDOG-GFCCVEGCSA-N 2 2 271.361 -0.845 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC000862973404 583829733 /nfs/dbraw/zinc/82/97/33/583829733.db2.gz NDXSQDJZVOEDOG-GFCCVEGCSA-N 2 2 271.361 -0.845 20 0 CBADLP Cc1c[nH+]ccc1NNC(=S)NCC[NH+]1CCOCC1 ZINC000863205876 583833534 /nfs/dbraw/zinc/83/35/34/583833534.db2.gz PWJISDUVBCRIOZ-UHFFFAOYSA-N 2 2 295.412 -0.065 20 0 CBADLP O=S(=O)(CC[NH2+]C[C@H](O)C[NH+]1CCCC1)C1CC1 ZINC000863556472 583846685 /nfs/dbraw/zinc/84/66/85/583846685.db2.gz DNNYFMVWIRMYLW-NSHDSACASA-N 2 2 276.402 -0.390 20 0 CBADLP Cn1cc([C@H](O)C[NH2+]C[C@H](O)C[NH+]2CCCC2)cn1 ZINC000863561220 583846995 /nfs/dbraw/zinc/84/69/95/583846995.db2.gz DAHGQFBFFGALAQ-QWHCGFSZSA-N 2 2 268.361 -0.500 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)N1C2CCC1(C[NH3+])CC2 ZINC000864058391 583866479 /nfs/dbraw/zinc/86/64/79/583866479.db2.gz UIQQWFVAWHLWPL-MBHSVXNSSA-N 2 2 282.388 -0.018 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)N1C2CCC1(C[NH3+])CC2 ZINC000864058391 583866481 /nfs/dbraw/zinc/86/64/81/583866481.db2.gz UIQQWFVAWHLWPL-MBHSVXNSSA-N 2 2 282.388 -0.018 20 0 CBADLP O=C(/C=C/C[NH+]1CCOCC1)N1CC[NH+](CCO)CC1 ZINC000864814896 583889700 /nfs/dbraw/zinc/88/97/00/583889700.db2.gz QFVDCILDAXZKRR-OWOJBTEDSA-N 2 2 283.372 -0.989 20 0 CBADLP C[N@@H+]1CC[C@H](CNC(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000864960397 583893408 /nfs/dbraw/zinc/89/34/08/583893408.db2.gz LBDPIPRXUVFALO-XQJDBVBESA-N 2 2 267.373 -0.057 20 0 CBADLP C[N@H+]1CC[C@H](CNC(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000864960397 583893410 /nfs/dbraw/zinc/89/34/10/583893410.db2.gz LBDPIPRXUVFALO-XQJDBVBESA-N 2 2 267.373 -0.057 20 0 CBADLP C[N@@H+]1CC[C@@H](CNC(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000864960396 583893442 /nfs/dbraw/zinc/89/34/42/583893442.db2.gz LBDPIPRXUVFALO-IBUXWKBASA-N 2 2 267.373 -0.057 20 0 CBADLP C[N@H+]1CC[C@@H](CNC(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000864960396 583893444 /nfs/dbraw/zinc/89/34/44/583893444.db2.gz LBDPIPRXUVFALO-IBUXWKBASA-N 2 2 267.373 -0.057 20 0 CBADLP COCC[N@@H+]1CCCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)CC1 ZINC000865010840 583894053 /nfs/dbraw/zinc/89/40/53/583894053.db2.gz WJOBTSUZNJWKGT-GFCCVEGCSA-N 2 2 282.344 -0.376 20 0 CBADLP COCC[N@H+]1CCCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)CC1 ZINC000865010840 583894054 /nfs/dbraw/zinc/89/40/54/583894054.db2.gz WJOBTSUZNJWKGT-GFCCVEGCSA-N 2 2 282.344 -0.376 20 0 CBADLP COCC[N@H+](C)CCNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000865123357 583897213 /nfs/dbraw/zinc/89/72/13/583897213.db2.gz KJVFIMGRKDLWDO-ONEGZZNKSA-N 2 2 285.388 -0.431 20 0 CBADLP COCC[N@@H+](C)CCNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000865123357 583897215 /nfs/dbraw/zinc/89/72/15/583897215.db2.gz KJVFIMGRKDLWDO-ONEGZZNKSA-N 2 2 285.388 -0.431 20 0 CBADLP COCCN(CC[NH+](C)C)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000865181144 583899683 /nfs/dbraw/zinc/89/96/83/583899683.db2.gz ZXNUBMOFPLEJBW-NSHDSACASA-N 2 2 270.333 -0.520 20 0 CBADLP O=C([C@H](O)c1c[nH+]c[nH]1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000865198775 583900651 /nfs/dbraw/zinc/90/06/51/583900651.db2.gz MIJLFWLZNQBACW-RWMBFGLXSA-N 2 2 294.355 -0.499 20 0 CBADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000865706476 583907858 /nfs/dbraw/zinc/90/78/58/583907858.db2.gz XAGPVBYTDBDHSO-XGACYXMMSA-N 2 2 296.415 -0.763 20 0 CBADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000865706476 583907860 /nfs/dbraw/zinc/90/78/60/583907860.db2.gz XAGPVBYTDBDHSO-XGACYXMMSA-N 2 2 296.415 -0.763 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@]12COC(=O)N1CCOC2 ZINC000865770605 583909054 /nfs/dbraw/zinc/90/90/54/583909054.db2.gz SWXCQHNGHCPRHT-WZRBSPASSA-N 2 2 269.345 -0.253 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@]12COC(=O)N1CCOC2 ZINC000865770605 583909055 /nfs/dbraw/zinc/90/90/55/583909055.db2.gz SWXCQHNGHCPRHT-WZRBSPASSA-N 2 2 269.345 -0.253 20 0 CBADLP O=C([C@H](O)c1c[nH+]c[nH]1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000866378850 583921231 /nfs/dbraw/zinc/92/12/31/583921231.db2.gz BDYMCCPEGCSNSE-DGCLKSJQSA-N 2 2 294.355 -0.376 20 0 CBADLP Cn1cc[nH+]c1N1CCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)CC1 ZINC000866665235 583926262 /nfs/dbraw/zinc/92/62/62/583926262.db2.gz FRQQQHBHPPYFDT-LLVKDONJSA-N 2 2 290.327 -0.475 20 0 CBADLP Cn1cc[nH+]c1N1CCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)CC1 ZINC000866665238 583926615 /nfs/dbraw/zinc/92/66/15/583926615.db2.gz FRQQQHBHPPYFDT-NSHDSACASA-N 2 2 290.327 -0.475 20 0 CBADLP COCCS(=O)(=O)CCC[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000866673724 583926798 /nfs/dbraw/zinc/92/67/98/583926798.db2.gz GVMRUFYRDGTZRC-VXGBXAGGSA-N 2 2 278.418 -0.036 20 0 CBADLP COCCS(=O)(=O)CCC[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000866673724 583926800 /nfs/dbraw/zinc/92/68/00/583926800.db2.gz GVMRUFYRDGTZRC-VXGBXAGGSA-N 2 2 278.418 -0.036 20 0 CBADLP CCOC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866712680 583928341 /nfs/dbraw/zinc/92/83/41/583928341.db2.gz VMDCGCKQAQMULT-KKOKHZNYSA-N 2 2 297.355 -0.195 20 0 CBADLP CCOC(=O)[C@@H](C)[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866712680 583928342 /nfs/dbraw/zinc/92/83/42/583928342.db2.gz VMDCGCKQAQMULT-KKOKHZNYSA-N 2 2 297.355 -0.195 20 0 CBADLP COC(=O)[C@H](C)[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866713885 583928377 /nfs/dbraw/zinc/92/83/77/583928377.db2.gz AEKCSXLMUCKCPM-ZDCRXTMVSA-N 2 2 283.328 -0.585 20 0 CBADLP COC(=O)[C@H](C)[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866713885 583928378 /nfs/dbraw/zinc/92/83/78/583928378.db2.gz AEKCSXLMUCKCPM-ZDCRXTMVSA-N 2 2 283.328 -0.585 20 0 CBADLP O=C(CC[N@@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21)N1CC[NH2+]CC1 ZINC000866724102 583928854 /nfs/dbraw/zinc/92/88/54/583928854.db2.gz IDEKSZGVRQAQCM-STQMWFEESA-N 3 2 266.389 -0.365 20 0 CBADLP O=C(CC[N@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21)N1CC[NH2+]CC1 ZINC000866724102 583928855 /nfs/dbraw/zinc/92/88/55/583928855.db2.gz IDEKSZGVRQAQCM-STQMWFEESA-N 3 2 266.389 -0.365 20 0 CBADLP COC(=O)CN(C)C(=O)CC[N@@H+]1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866723675 583928861 /nfs/dbraw/zinc/92/88/61/583928861.db2.gz IVMFJNJVYGOEPT-NWDGAFQWSA-N 2 2 283.372 -0.166 20 0 CBADLP COC(=O)CN(C)C(=O)CC[N@H+]1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866723675 583928865 /nfs/dbraw/zinc/92/88/65/583928865.db2.gz IVMFJNJVYGOEPT-NWDGAFQWSA-N 2 2 283.372 -0.166 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@@H]3[NH2+]CC[C@@H]32)CC1 ZINC000866726324 583929162 /nfs/dbraw/zinc/92/91/62/583929162.db2.gz YSVSZZAWJYBBHK-KBPBESRZSA-N 3 2 280.416 -0.023 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@@H]3[NH2+]CC[C@@H]32)CC1 ZINC000866726324 583929163 /nfs/dbraw/zinc/92/91/63/583929163.db2.gz YSVSZZAWJYBBHK-KBPBESRZSA-N 3 2 280.416 -0.023 20 0 CBADLP C[NH+](C)C1(CS(=O)(=O)N2CC[NH2+]C[C@H]2C(F)F)CC1 ZINC000866765004 583931599 /nfs/dbraw/zinc/93/15/99/583931599.db2.gz TWZFVDRTBIIZOY-VIFPVBQESA-N 2 2 297.371 -0.051 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[NH+]3CCN2CC3)CC[N@@H+]1C ZINC000866861528 583935717 /nfs/dbraw/zinc/93/57/17/583935717.db2.gz QTHLZRZQPADJET-HZSPNIEDSA-N 2 2 280.416 -0.167 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[NH+]3CCN2CC3)CC[N@H+]1C ZINC000866861528 583935718 /nfs/dbraw/zinc/93/57/18/583935718.db2.gz QTHLZRZQPADJET-HZSPNIEDSA-N 2 2 280.416 -0.167 20 0 CBADLP CC[N@@H+]1CCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)C[C@@H]1C ZINC000866950160 583937531 /nfs/dbraw/zinc/93/75/31/583937531.db2.gz YRKBIJIXMHJCRU-GXSJLCMTSA-N 2 2 252.318 -0.004 20 0 CBADLP CC[N@H+]1CCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)C[C@@H]1C ZINC000866950160 583937532 /nfs/dbraw/zinc/93/75/32/583937532.db2.gz YRKBIJIXMHJCRU-GXSJLCMTSA-N 2 2 252.318 -0.004 20 0 CBADLP C[C@@H]1[C@H](C)N(C(=O)[C@H](O)c2c[nH+]c[nH]2)CC[N@H+]1C ZINC000867184867 583943143 /nfs/dbraw/zinc/94/31/43/583943143.db2.gz BUPAGJATNZSKDQ-WCABBAIRSA-N 2 2 252.318 -0.006 20 0 CBADLP C[C@@H]1[C@H](C)N(C(=O)[C@H](O)c2c[nH+]c[nH]2)CC[N@@H+]1C ZINC000867184867 583943144 /nfs/dbraw/zinc/94/31/44/583943144.db2.gz BUPAGJATNZSKDQ-WCABBAIRSA-N 2 2 252.318 -0.006 20 0 CBADLP Cn1c[nH+]cc1CNS(=O)(=O)CC1([NH+](C)C)CC1 ZINC000867274315 583946211 /nfs/dbraw/zinc/94/62/11/583946211.db2.gz JYOUNYDIIRKILV-UHFFFAOYSA-N 2 2 272.374 -0.066 20 0 CBADLP CC[N@H+](CCO)CCNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000867462568 583954604 /nfs/dbraw/zinc/95/46/04/583954604.db2.gz UCSNFGNEUSXCAE-ONEGZZNKSA-N 2 2 285.388 -0.695 20 0 CBADLP CC[N@@H+](CCO)CCNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000867462568 583954605 /nfs/dbraw/zinc/95/46/05/583954605.db2.gz UCSNFGNEUSXCAE-ONEGZZNKSA-N 2 2 285.388 -0.695 20 0 CBADLP C[N@@H+]1CCn2nc(NC(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)cc2C1 ZINC000868206480 583972679 /nfs/dbraw/zinc/97/26/79/583972679.db2.gz YHYQDRMEKCVUCK-UWVGGRQHSA-N 2 2 276.344 -0.094 20 0 CBADLP C[N@H+]1CCn2nc(NC(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)cc2C1 ZINC000868206480 583972682 /nfs/dbraw/zinc/97/26/82/583972682.db2.gz YHYQDRMEKCVUCK-UWVGGRQHSA-N 2 2 276.344 -0.094 20 0 CBADLP C[C@@H](C[NH3+])NC(=O)Nc1cc2n(n1)CC[N@H+](C)C2 ZINC000868203436 583972718 /nfs/dbraw/zinc/97/27/18/583972718.db2.gz CTWJCXKDCSVIGK-QMMMGPOBSA-N 2 2 252.322 -0.203 20 0 CBADLP C[C@@H](C[NH3+])NC(=O)Nc1cc2n(n1)CC[N@@H+](C)C2 ZINC000868203436 583972721 /nfs/dbraw/zinc/97/27/21/583972721.db2.gz CTWJCXKDCSVIGK-QMMMGPOBSA-N 2 2 252.322 -0.203 20 0 CBADLP C[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC000868418444 583978752 /nfs/dbraw/zinc/97/87/52/583978752.db2.gz KPUFJNIQUCAYAY-NWDGAFQWSA-N 2 2 280.372 -0.887 20 0 CBADLP CN(Cc1c[nH+]c[nH]1)C(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000868418940 583978821 /nfs/dbraw/zinc/97/88/21/583978821.db2.gz SSGBCNJJIWULKS-NEPJUHHUSA-N 2 2 291.355 -0.279 20 0 CBADLP CN(Cc1c[nH]c[nH+]1)C(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000868418940 583978823 /nfs/dbraw/zinc/97/88/23/583978823.db2.gz SSGBCNJJIWULKS-NEPJUHHUSA-N 2 2 291.355 -0.279 20 0 CBADLP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)/C=C\C[NH+]3CCOCC3)C[C@H]21 ZINC000868732471 583985308 /nfs/dbraw/zinc/98/53/08/583985308.db2.gz PVHZTHBHNDMKCN-CQKOLEORSA-N 2 2 279.384 -0.107 20 0 CBADLP C[C@@H]1C[N@H+](CCO)CCN1C(=O)/C=C/C[NH+]1CCOCC1 ZINC000868808832 583986992 /nfs/dbraw/zinc/98/69/92/583986992.db2.gz GARSXLCWTMFTAG-BAABZTOOSA-N 2 2 297.399 -0.600 20 0 CBADLP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)/C=C/C[NH+]1CCOCC1 ZINC000868808832 583986994 /nfs/dbraw/zinc/98/69/94/583986994.db2.gz GARSXLCWTMFTAG-BAABZTOOSA-N 2 2 297.399 -0.600 20 0 CBADLP COC(=O)[C@H]1CN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)CC[N@H+](C)C1 ZINC000868866382 583988477 /nfs/dbraw/zinc/98/84/77/583988477.db2.gz SQKMHCOALVTVEC-KOLCDFICSA-N 2 2 296.327 -0.994 20 0 CBADLP COC(=O)[C@H]1CN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)CC[N@@H+](C)C1 ZINC000868866382 583988478 /nfs/dbraw/zinc/98/84/78/583988478.db2.gz SQKMHCOALVTVEC-KOLCDFICSA-N 2 2 296.327 -0.994 20 0 CBADLP C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H](O)c3c[nH+]c[nH]3)[C@@H]2C1 ZINC000868967911 583991352 /nfs/dbraw/zinc/99/13/52/583991352.db2.gz SJESFEUEUBEWDB-WCQGTBRESA-N 2 2 264.329 -0.004 20 0 CBADLP C[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H](O)c3c[nH+]c[nH]3)[C@@H]2C1 ZINC000868967911 583991354 /nfs/dbraw/zinc/99/13/54/583991354.db2.gz SJESFEUEUBEWDB-WCQGTBRESA-N 2 2 264.329 -0.004 20 0 CBADLP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000869081603 583992189 /nfs/dbraw/zinc/99/21/89/583992189.db2.gz ONABFXYVOQVFLE-KOLCDFICSA-N 2 2 295.343 -0.979 20 0 CBADLP CC[C@@H](C(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1)[NH+](C)C ZINC000870066073 584008462 /nfs/dbraw/zinc/00/84/62/584008462.db2.gz CEUPWIVKJPHNKY-KGLIPLIRSA-N 2 2 299.415 -0.114 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC000870068298 584008805 /nfs/dbraw/zinc/00/88/05/584008805.db2.gz KPXNXJSRAMQDTQ-KGLIPLIRSA-N 2 2 297.399 -0.360 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC000870068298 584008807 /nfs/dbraw/zinc/00/88/07/584008807.db2.gz KPXNXJSRAMQDTQ-KGLIPLIRSA-N 2 2 297.399 -0.360 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC000870069240 584008917 /nfs/dbraw/zinc/00/89/17/584008917.db2.gz BPBFCNIUNUDXOR-AWEZNQCLSA-N 2 2 299.415 -0.114 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC000870069240 584008918 /nfs/dbraw/zinc/00/89/18/584008918.db2.gz BPBFCNIUNUDXOR-AWEZNQCLSA-N 2 2 299.415 -0.114 20 0 CBADLP C[NH+](C)CC(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC000870069889 584009043 /nfs/dbraw/zinc/00/90/43/584009043.db2.gz FKYJSZONNCOORX-GFCCVEGCSA-N 2 2 271.361 -0.892 20 0 CBADLP CN1CC[N@H+](C)[C@H](CNC(=O)CCC23CC(C2)C[NH2+]3)C1 ZINC000870885184 584020508 /nfs/dbraw/zinc/02/05/08/584020508.db2.gz DDAXZKWRBQXZQN-JVWICGRDSA-N 2 2 280.416 -0.119 20 0 CBADLP CN1CC[N@@H+](C)[C@H](CNC(=O)CCC23CC(C2)C[NH2+]3)C1 ZINC000870885184 584020511 /nfs/dbraw/zinc/02/05/11/584020511.db2.gz DDAXZKWRBQXZQN-JVWICGRDSA-N 2 2 280.416 -0.119 20 0 CBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000870909929 584021125 /nfs/dbraw/zinc/02/11/25/584021125.db2.gz IQBFWSJGVNYGJL-MGPQQGTHSA-N 2 2 299.415 -0.345 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC000870918315 584021317 /nfs/dbraw/zinc/02/13/17/584021317.db2.gz HHBPFDRWNHXXIJ-HDJSIYSDSA-N 2 2 296.415 -0.216 20 0 CBADLP C[N@@H+]1CCN(C(=O)c2cccn(C3CC3)c2=O)[C@@H](C[NH3+])C1 ZINC000870938271 584021939 /nfs/dbraw/zinc/02/19/39/584021939.db2.gz JODVUNJITXFYLM-LBPRGKRZSA-N 2 2 290.367 -0.102 20 0 CBADLP C[N@H+]1CCN(C(=O)c2cccn(C3CC3)c2=O)[C@@H](C[NH3+])C1 ZINC000870938271 584021940 /nfs/dbraw/zinc/02/19/40/584021940.db2.gz JODVUNJITXFYLM-LBPRGKRZSA-N 2 2 290.367 -0.102 20 0 CBADLP C[N@@H+]1CCN(C(=O)CCC23CC(C2)C[NH2+]3)[C@H](C[NH3+])C1 ZINC000870938028 584022060 /nfs/dbraw/zinc/02/20/60/584022060.db2.gz DQXDVGMVLKHBJO-MBHSVXNSSA-N 3 2 266.389 -0.380 20 0 CBADLP C[N@H+]1CCN(C(=O)CCC23CC(C2)C[NH2+]3)[C@H](C[NH3+])C1 ZINC000870938028 584022063 /nfs/dbraw/zinc/02/20/63/584022063.db2.gz DQXDVGMVLKHBJO-MBHSVXNSSA-N 3 2 266.389 -0.380 20 0 CBADLP C[N@@H+]1CCN(C(=O)[C@H]2CC[C@@H]([NH3+])CC2)[C@H](C[NH3+])C1 ZINC000870938872 584022368 /nfs/dbraw/zinc/02/23/68/584022368.db2.gz VQJYVTOIMHROAT-GRYCIOLGSA-N 3 2 254.378 -0.395 20 0 CBADLP C[N@H+]1CCN(C(=O)[C@H]2CC[C@@H]([NH3+])CC2)[C@H](C[NH3+])C1 ZINC000870938872 584022369 /nfs/dbraw/zinc/02/23/69/584022369.db2.gz VQJYVTOIMHROAT-GRYCIOLGSA-N 3 2 254.378 -0.395 20 0 CBADLP CN1CCN(C(=O)COCC[NH3+])Cc2ccc[nH+]c21 ZINC000871021708 584025118 /nfs/dbraw/zinc/02/51/18/584025118.db2.gz VVOYQLCNVWYTCC-UHFFFAOYSA-N 2 2 264.329 -0.165 20 0 CBADLP C[N@@H+]1CCn2nc(NC(=O)C[C@H]3C[NH2+]CCO3)cc2C1 ZINC000871010891 584025188 /nfs/dbraw/zinc/02/51/88/584025188.db2.gz KVLNOKJKAFPGCZ-NSHDSACASA-N 2 2 279.344 -0.355 20 0 CBADLP C[N@H+]1CCn2nc(NC(=O)C[C@H]3C[NH2+]CCO3)cc2C1 ZINC000871010891 584025189 /nfs/dbraw/zinc/02/51/89/584025189.db2.gz KVLNOKJKAFPGCZ-NSHDSACASA-N 2 2 279.344 -0.355 20 0 CBADLP CC(=O)N1CCN(C(=O)C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC1 ZINC000872150650 584048077 /nfs/dbraw/zinc/04/80/77/584048077.db2.gz YMBGPNCJYFLXFI-DZGCQCFKSA-N 2 2 294.399 -0.782 20 0 CBADLP CC(=O)N1CCN(C(=O)C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC1 ZINC000872150650 584048078 /nfs/dbraw/zinc/04/80/78/584048078.db2.gz YMBGPNCJYFLXFI-DZGCQCFKSA-N 2 2 294.399 -0.782 20 0 CBADLP CC(C)(O)C[C@@H](O)C[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000872214819 584050562 /nfs/dbraw/zinc/05/05/62/584050562.db2.gz GQHUZKVSVQVLOB-QWHCGFSZSA-N 2 2 274.405 -0.055 20 0 CBADLP CC(C)(O)C[C@@H](O)C[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000872214819 584050564 /nfs/dbraw/zinc/05/05/64/584050564.db2.gz GQHUZKVSVQVLOB-QWHCGFSZSA-N 2 2 274.405 -0.055 20 0 CBADLP CC(C)(O)C[C@H](O)C[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000872214782 584050569 /nfs/dbraw/zinc/05/05/69/584050569.db2.gz DXWZXRMALDWGLU-STQMWFEESA-N 2 2 274.405 -0.055 20 0 CBADLP CC(C)(O)C[C@H](O)C[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000872214782 584050571 /nfs/dbraw/zinc/05/05/71/584050571.db2.gz DXWZXRMALDWGLU-STQMWFEESA-N 2 2 274.405 -0.055 20 0 CBADLP CCOC[C@H](O)C[NH2+][C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000872218000 584050725 /nfs/dbraw/zinc/05/07/25/584050725.db2.gz JLRLIPZCXKPYBJ-NWDGAFQWSA-N 2 2 260.378 -0.181 20 0 CBADLP CCOC[C@H](O)C[NH2+][C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000872218000 584050726 /nfs/dbraw/zinc/05/07/26/584050726.db2.gz JLRLIPZCXKPYBJ-NWDGAFQWSA-N 2 2 260.378 -0.181 20 0 CBADLP CC(C)(O)C[C@@H](O)C[NH2+][C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000872218961 584050747 /nfs/dbraw/zinc/05/07/47/584050747.db2.gz UGQKTZQSDCOASY-NWDGAFQWSA-N 2 2 274.405 -0.057 20 0 CBADLP CC(C)(O)C[C@@H](O)C[NH2+][C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000872218961 584050748 /nfs/dbraw/zinc/05/07/48/584050748.db2.gz UGQKTZQSDCOASY-NWDGAFQWSA-N 2 2 274.405 -0.057 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)CC1 ZINC000872275577 584052980 /nfs/dbraw/zinc/05/29/80/584052980.db2.gz HSZNLCOLRPFRKH-DYEKYZERSA-N 2 2 267.373 -0.096 20 0 CBADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC000874702886 584089058 /nfs/dbraw/zinc/08/90/58/584089058.db2.gz PFZJTMHLSZBNNL-KBPBESRZSA-N 2 2 299.415 -0.066 20 0 CBADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC000874702886 584089060 /nfs/dbraw/zinc/08/90/60/584089060.db2.gz PFZJTMHLSZBNNL-KBPBESRZSA-N 2 2 299.415 -0.066 20 0 CBADLP CC[C@H]1COCC[NH+]1CCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000874702886 584089063 /nfs/dbraw/zinc/08/90/63/584089063.db2.gz PFZJTMHLSZBNNL-KBPBESRZSA-N 2 2 299.415 -0.066 20 0 CBADLP CC[C@H]1COCC[NH+]1CCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000874702886 584089065 /nfs/dbraw/zinc/08/90/65/584089065.db2.gz PFZJTMHLSZBNNL-KBPBESRZSA-N 2 2 299.415 -0.066 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)N[C@H]2Cc3c[nH+]cn3C2)CCO1 ZINC000875195236 584100689 /nfs/dbraw/zinc/10/06/89/584100689.db2.gz QCQUHQWNRWOIDB-NEPJUHHUSA-N 2 2 293.371 -0.172 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)N[C@H]2Cc3c[nH+]cn3C2)CCO1 ZINC000875195236 584100690 /nfs/dbraw/zinc/10/06/90/584100690.db2.gz QCQUHQWNRWOIDB-NEPJUHHUSA-N 2 2 293.371 -0.172 20 0 CBADLP [NH3+][C@@H]1CCCN(C(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000876499985 584129651 /nfs/dbraw/zinc/12/96/51/584129651.db2.gz CHNHIMUMMCFWPG-FXMSTWTQSA-N 2 2 253.346 -0.176 20 0 CBADLP CC[NH2+]CCCNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000876509003 584130134 /nfs/dbraw/zinc/13/01/34/584130134.db2.gz FAWXRJRDTMUNQM-HWKANZROSA-N 2 2 255.362 -0.009 20 0 CBADLP O=C(/C=C/C[NH+]1CCOCC1)NC[C@H]1CCC[NH2+]C1 ZINC000876513404 584130454 /nfs/dbraw/zinc/13/04/54/584130454.db2.gz LRHIAKGWQYZMDE-OHVSUOQFSA-N 2 2 267.373 -0.009 20 0 CBADLP [NH3+]C[C@H]1CCN(C(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000876517799 584130902 /nfs/dbraw/zinc/13/09/02/584130902.db2.gz DEFQEGLBLPWHCI-UDSFMNFJSA-N 2 2 253.346 -0.318 20 0 CBADLP O=C(/C=C\C[NH+]1CCOCC1)NCC[C@H]1CC[NH2+]C1 ZINC000876525808 584131223 /nfs/dbraw/zinc/13/12/23/584131223.db2.gz OEJSSXWTTOJRFE-UIIMQBOASA-N 2 2 267.373 -0.009 20 0 CBADLP O=C(/C=C\C[NH+]1CCOCC1)NCC[C@@H]1CC[NH2+]C1 ZINC000876525807 584131277 /nfs/dbraw/zinc/13/12/77/584131277.db2.gz OEJSSXWTTOJRFE-FYDYADQUSA-N 2 2 267.373 -0.009 20 0 CBADLP CN(C(=O)/C=C/C[NH+]1CCOCC1)[C@@H]1CC[NH2+]C1 ZINC000876527531 584131533 /nfs/dbraw/zinc/13/15/33/584131533.db2.gz ADZRIISGOQSRSM-QAVQXKDTSA-N 2 2 253.346 -0.305 20 0 CBADLP [NH3+]C[C@H](NC(=O)/C=C/C[NH+]1CCOCC1)C1CC1 ZINC000876537405 584132099 /nfs/dbraw/zinc/13/20/99/584132099.db2.gz QGRBFULCOWNIRH-ISUDXETCSA-N 2 2 253.346 -0.272 20 0 CBADLP C[N@@H+]1CCN(C(=O)CCc2cnc(N)s2)[C@@H](C[NH3+])C1 ZINC000876541642 584132464 /nfs/dbraw/zinc/13/24/64/584132464.db2.gz DATKFAIUXRXAHL-VIFPVBQESA-N 2 2 283.401 -0.241 20 0 CBADLP C[N@H+]1CCN(C(=O)CCc2cnc(N)s2)[C@@H](C[NH3+])C1 ZINC000876541642 584132467 /nfs/dbraw/zinc/13/24/67/584132467.db2.gz DATKFAIUXRXAHL-VIFPVBQESA-N 2 2 283.401 -0.241 20 0 CBADLP C[C@H]([NH3+])[C@@H]1CN(C(=O)/C=C/C[NH+]2CCOCC2)CCO1 ZINC000876542987 584132746 /nfs/dbraw/zinc/13/27/46/584132746.db2.gz CAOGYOMLHMVKAR-IVPXFZNXSA-N 2 2 283.372 -0.551 20 0 CBADLP C[NH+](C)C[C@H](N)C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000876714583 584140516 /nfs/dbraw/zinc/14/05/16/584140516.db2.gz BRHURGISOJWUCV-LBPRGKRZSA-N 2 2 288.355 -0.228 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876723986 584141015 /nfs/dbraw/zinc/14/10/15/584141015.db2.gz KGHXFJQJACUHGJ-GRYCIOLGSA-N 2 2 273.352 -0.229 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)CCO1 ZINC000876746640 584142156 /nfs/dbraw/zinc/14/21/56/584142156.db2.gz MNCVAJRWPXYSNY-GUBZILKMSA-N 2 2 277.315 -0.337 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)CCO1 ZINC000876746640 584142159 /nfs/dbraw/zinc/14/21/59/584142159.db2.gz MNCVAJRWPXYSNY-GUBZILKMSA-N 2 2 277.315 -0.337 20 0 CBADLP Cn1ncc(C[NH3+])c1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000876753541 584142299 /nfs/dbraw/zinc/14/22/99/584142299.db2.gz MBILOXGXLJAXHM-UHFFFAOYSA-N 2 2 295.387 -0.281 20 0 CBADLP Cn1ncc(C[NH3+])c1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000876753541 584142301 /nfs/dbraw/zinc/14/23/01/584142301.db2.gz MBILOXGXLJAXHM-UHFFFAOYSA-N 2 2 295.387 -0.281 20 0 CBADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2(C)C)CC1 ZINC000876774210 584143939 /nfs/dbraw/zinc/14/39/39/584143939.db2.gz OJAGHOBXZSJGCP-GHMZBOCLSA-N 2 2 296.415 -0.232 20 0 CBADLP CC1(C)[C@H](C(=O)N2CC[NH+](CCO)CC2)C[C@@H]1[NH3+] ZINC000876846504 584149162 /nfs/dbraw/zinc/14/91/62/584149162.db2.gz CEVHAPHNBFTTGY-QWRGUYRKSA-N 2 2 255.362 -0.504 20 0 CBADLP C[NH+](C)C[C@H](N)C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000876872386 584151791 /nfs/dbraw/zinc/15/17/91/584151791.db2.gz CIYXCPMUJTVBQB-AWEZNQCLSA-N 2 2 291.399 -0.385 20 0 CBADLP Cc1nc(N2CCN(C(=O)[C@@H](N)C[NH+](C)C)CC2)cc[nH+]1 ZINC000876884162 584153129 /nfs/dbraw/zinc/15/31/29/584153129.db2.gz ARAPYCBOJSUYHU-LBPRGKRZSA-N 2 2 292.387 -0.677 20 0 CBADLP C[C@@H](C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1)N1CC[NH2+]CC1=O ZINC000876903091 584154533 /nfs/dbraw/zinc/15/45/33/584154533.db2.gz KIKSSOWTPKCAHM-QWRGUYRKSA-N 2 2 291.355 -0.107 20 0 CBADLP [NH3+]C[C@H]1CN(C(=O)/C=C\C[NH+]2CCOCC2)CCCO1 ZINC000876920406 584155757 /nfs/dbraw/zinc/15/57/57/584155757.db2.gz QJBPLOMUHCVUDV-MTMQSLQUSA-N 2 2 283.372 -0.549 20 0 CBADLP C[NH2+]CCCN(C)C(=O)/C=C\C[NH+]1CCOCC1 ZINC000876921290 584155917 /nfs/dbraw/zinc/15/59/17/584155917.db2.gz AJWDOEOIFILVDD-HYXAFXHYSA-N 2 2 255.362 -0.057 20 0 CBADLP O=C([C@H](F)[C@H]1CC[NH2+]C1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000876965798 584158542 /nfs/dbraw/zinc/15/85/42/584158542.db2.gz JZZYSNAULCBRSE-YNEHKIRRSA-N 2 2 285.363 -0.133 20 0 CBADLP C[NH2+]CCOCCNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000877024046 584162019 /nfs/dbraw/zinc/16/20/19/584162019.db2.gz OXXXYIYAEHIANZ-IHWYPQMZSA-N 2 2 271.361 -0.773 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)/C=C\[C@H]1CCC[NH2+]C1 ZINC000877034186 584162781 /nfs/dbraw/zinc/16/27/81/584162781.db2.gz ATMBSKMXLCNWCR-CIUCYMIDSA-N 2 2 267.373 -0.011 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)/C=C\[C@H]1CCC[NH2+]C1 ZINC000877034186 584162782 /nfs/dbraw/zinc/16/27/82/584162782.db2.gz ATMBSKMXLCNWCR-CIUCYMIDSA-N 2 2 267.373 -0.011 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000877035036 584162992 /nfs/dbraw/zinc/16/29/92/584162992.db2.gz SHLUNZWFGICJIF-HBNTYKKESA-N 2 2 255.362 -0.193 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000877035036 584162994 /nfs/dbraw/zinc/16/29/94/584162994.db2.gz SHLUNZWFGICJIF-HBNTYKKESA-N 2 2 255.362 -0.193 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000877036780 584163087 /nfs/dbraw/zinc/16/30/87/584163087.db2.gz VIEZPZNOUSNIKA-VXGBXAGGSA-N 2 2 271.361 -0.798 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000877036780 584163090 /nfs/dbraw/zinc/16/30/90/584163090.db2.gz VIEZPZNOUSNIKA-VXGBXAGGSA-N 2 2 271.361 -0.798 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000877035073 584163122 /nfs/dbraw/zinc/16/31/22/584163122.db2.gz SQVTVAAHCXIFLB-GARJFASQSA-N 2 2 259.325 -0.619 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000877035073 584163124 /nfs/dbraw/zinc/16/31/24/584163124.db2.gz SQVTVAAHCXIFLB-GARJFASQSA-N 2 2 259.325 -0.619 20 0 CBADLP CN(CCOCC[NH3+])C(=O)/C=C\C[NH+]1CCOCC1 ZINC000877057040 584164438 /nfs/dbraw/zinc/16/44/38/584164438.db2.gz RUUBBUONANOJJC-IHWYPQMZSA-N 2 2 271.361 -0.692 20 0 CBADLP C[C@@H](C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1)N1CC[NH2+]CC1=O ZINC000877150825 584168254 /nfs/dbraw/zinc/16/82/54/584168254.db2.gz CVPGJTBRIYQYBE-NWDGAFQWSA-N 2 2 296.415 -0.299 20 0 CBADLP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)/C=C/C[NH+]1CCOCC1 ZINC000877173105 584169094 /nfs/dbraw/zinc/16/90/94/584169094.db2.gz YIMWBJHKRGWTOB-JGLYPNHGSA-N 2 2 253.346 -0.177 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2 ZINC000877178426 584169591 /nfs/dbraw/zinc/16/95/91/584169591.db2.gz UZHODBCFJFERJH-RJRAAQABSA-N 2 2 267.373 -0.195 20 0 CBADLP [NH3+][C@H]1C[C@H](CNC(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000877244747 584171870 /nfs/dbraw/zinc/17/18/70/584171870.db2.gz MVRORTXYOYVPRG-LEANHWHLSA-N 2 2 253.346 -0.272 20 0 CBADLP C[C@H](C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21)N1CC[NH2+]CC1=O ZINC000877273689 584175221 /nfs/dbraw/zinc/17/52/21/584175221.db2.gz QAKDPYCJNCPXJF-WOPDTQHZSA-N 2 2 280.372 -0.840 20 0 CBADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1C[NH2+]CCO1 ZINC000877432797 584180984 /nfs/dbraw/zinc/18/09/84/584180984.db2.gz HFDGFCQISQLMRR-VXGBXAGGSA-N 2 2 271.361 -0.798 20 0 CBADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1C[NH2+]CCO1 ZINC000877432797 584180986 /nfs/dbraw/zinc/18/09/86/584180986.db2.gz HFDGFCQISQLMRR-VXGBXAGGSA-N 2 2 271.361 -0.798 20 0 CBADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CSC[NH2+]1 ZINC000877433591 584181066 /nfs/dbraw/zinc/18/10/66/584181066.db2.gz XSBDONMSSXJMSO-GHMZBOCLSA-N 2 2 273.402 -0.124 20 0 CBADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1CSC[NH2+]1 ZINC000877433591 584181068 /nfs/dbraw/zinc/18/10/68/584181068.db2.gz XSBDONMSSXJMSO-GHMZBOCLSA-N 2 2 273.402 -0.124 20 0 CBADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)c1cnc(C[NH3+])nc1 ZINC000877434171 584181611 /nfs/dbraw/zinc/18/16/11/584181611.db2.gz OKZZXIBLGDSIKM-GFCCVEGCSA-N 2 2 293.371 -0.224 20 0 CBADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)c1cnc(C[NH3+])nc1 ZINC000877434171 584181612 /nfs/dbraw/zinc/18/16/12/584181612.db2.gz OKZZXIBLGDSIKM-GFCCVEGCSA-N 2 2 293.371 -0.224 20 0 CBADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000877434564 584182085 /nfs/dbraw/zinc/18/20/85/584182085.db2.gz SHWFYWWMDUCGPY-SDDRHHMPSA-N 2 2 271.361 -0.670 20 0 CBADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000877434564 584182086 /nfs/dbraw/zinc/18/20/86/584182086.db2.gz SHWFYWWMDUCGPY-SDDRHHMPSA-N 2 2 271.361 -0.670 20 0 CBADLP C[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@@H]2C(N)=O)CC1 ZINC000877941529 584188235 /nfs/dbraw/zinc/18/82/35/584188235.db2.gz JBERMEYHLCPSTC-GFCCVEGCSA-N 2 2 282.388 -0.463 20 0 CBADLP C[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@@H]2C(N)=O)CC1 ZINC000877941529 584188236 /nfs/dbraw/zinc/18/82/36/584188236.db2.gz JBERMEYHLCPSTC-GFCCVEGCSA-N 2 2 282.388 -0.463 20 0 CBADLP CCC[N@H+](CC(=O)NC)CC(=O)NC1CC[NH+](C)CC1 ZINC000877986577 584189673 /nfs/dbraw/zinc/18/96/73/584189673.db2.gz NZNAHLKJSVZFGE-UHFFFAOYSA-N 2 2 284.404 -0.345 20 0 CBADLP CCC[N@@H+](CC(=O)NC)CC(=O)NC1CC[NH+](C)CC1 ZINC000877986577 584189674 /nfs/dbraw/zinc/18/96/74/584189674.db2.gz NZNAHLKJSVZFGE-UHFFFAOYSA-N 2 2 284.404 -0.345 20 0 CBADLP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](CCn2cnnn2)CC1 ZINC000878292257 584198214 /nfs/dbraw/zinc/19/82/14/584198214.db2.gz HUXLSWGHKUGGJM-LBPRGKRZSA-N 2 2 293.375 -0.913 20 0 CBADLP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](CCn2cnnn2)CC1 ZINC000878292257 584198217 /nfs/dbraw/zinc/19/82/17/584198217.db2.gz HUXLSWGHKUGGJM-LBPRGKRZSA-N 2 2 293.375 -0.913 20 0 CBADLP C[NH+]1CCC(NC(=O)C[N@@H+]2CCSC[C@@H]2CO)CC1 ZINC000878328065 584200216 /nfs/dbraw/zinc/20/02/16/584200216.db2.gz ZQNXHEOLUDPIHC-LBPRGKRZSA-N 2 2 287.429 -0.394 20 0 CBADLP C[NH+]1CCC(NC(=O)C[N@H+]2CCSC[C@@H]2CO)CC1 ZINC000878328065 584200219 /nfs/dbraw/zinc/20/02/19/584200219.db2.gz ZQNXHEOLUDPIHC-LBPRGKRZSA-N 2 2 287.429 -0.394 20 0 CBADLP c1nnnn1CC[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000878559452 584208625 /nfs/dbraw/zinc/20/86/25/584208625.db2.gz HHHGQSRHSYPXLH-CYBMUJFWSA-N 2 2 280.376 -0.283 20 0 CBADLP c1nnnn1CC[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000878559452 584208628 /nfs/dbraw/zinc/20/86/28/584208628.db2.gz HHHGQSRHSYPXLH-CYBMUJFWSA-N 2 2 280.376 -0.283 20 0 CBADLP C[NH+]1CCC(NC(=O)C[N@@H+]2C[C@@H](CO)OC(C)(C)C2)CC1 ZINC000878721636 584215521 /nfs/dbraw/zinc/21/55/21/584215521.db2.gz XWSAKISQFTUFKX-ZDUSSCGKSA-N 2 2 299.415 -0.332 20 0 CBADLP C[NH+]1CCC(NC(=O)C[N@H+]2C[C@@H](CO)OC(C)(C)C2)CC1 ZINC000878721636 584215523 /nfs/dbraw/zinc/21/55/23/584215523.db2.gz XWSAKISQFTUFKX-ZDUSSCGKSA-N 2 2 299.415 -0.332 20 0 CBADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC000878866543 584219347 /nfs/dbraw/zinc/21/93/47/584219347.db2.gz UXOKLGOQEXSZEJ-GWCFXTLKSA-N 2 2 269.345 -0.820 20 0 CBADLP C[NH+](C)C[C@@]1(O)CCC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC000878866543 584219349 /nfs/dbraw/zinc/21/93/49/584219349.db2.gz UXOKLGOQEXSZEJ-GWCFXTLKSA-N 2 2 269.345 -0.820 20 0 CBADLP Cn1nnnc1CC[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000878865234 584219382 /nfs/dbraw/zinc/21/93/82/584219382.db2.gz FIORYDOKQVYMLB-GFCCVEGCSA-N 2 2 268.365 -0.859 20 0 CBADLP Cn1nnnc1CC[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000878865234 584219384 /nfs/dbraw/zinc/21/93/84/584219384.db2.gz FIORYDOKQVYMLB-GFCCVEGCSA-N 2 2 268.365 -0.859 20 0 CBADLP Cc1c[nH+]ccc1NC(=O)NCC[N@@H+](C)CCOCCO ZINC000879073172 584226162 /nfs/dbraw/zinc/22/61/62/584226162.db2.gz RBCPPHCJERTRON-UHFFFAOYSA-N 2 2 296.371 -0.126 20 0 CBADLP Cc1c[nH+]ccc1NC(=O)NCC[N@H+](C)CCOCCO ZINC000879073172 584226163 /nfs/dbraw/zinc/22/61/63/584226163.db2.gz RBCPPHCJERTRON-UHFFFAOYSA-N 2 2 296.371 -0.126 20 0 CBADLP CO[C@@H]1C[N@H+](C[C@H](O)C[NH+]2CCCC2)[C@@](C)(CO)C1 ZINC000879259594 584230750 /nfs/dbraw/zinc/23/07/50/584230750.db2.gz OVTLCNJQPPQCCU-HZSPNIEDSA-N 2 2 272.389 -0.085 20 0 CBADLP CO[C@@H]1C[N@@H+](C[C@H](O)C[NH+]2CCCC2)[C@@](C)(CO)C1 ZINC000879259594 584230752 /nfs/dbraw/zinc/23/07/52/584230752.db2.gz OVTLCNJQPPQCCU-HZSPNIEDSA-N 2 2 272.389 -0.085 20 0 CBADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H]1CCC(=O)O1 ZINC000879355653 584232848 /nfs/dbraw/zinc/23/28/48/584232848.db2.gz IGIAALXEWRQHGG-LLVKDONJSA-N 2 2 269.345 -0.602 20 0 CBADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H]1CCC(=O)O1 ZINC000879355653 584232850 /nfs/dbraw/zinc/23/28/50/584232850.db2.gz IGIAALXEWRQHGG-LLVKDONJSA-N 2 2 269.345 -0.602 20 0 CBADLP COC(=O)/C(C)=C/C[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000879354856 584233085 /nfs/dbraw/zinc/23/30/85/584233085.db2.gz PQUYCXXWGRHSEK-LFYBBSHMSA-N 2 2 283.372 -0.189 20 0 CBADLP COC(=O)/C(C)=C/C[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000879354856 584233088 /nfs/dbraw/zinc/23/30/88/584233088.db2.gz PQUYCXXWGRHSEK-LFYBBSHMSA-N 2 2 283.372 -0.189 20 0 CBADLP C[N@@H+]1CC[C@@H]2C[NH+](CC(=O)N3CCNC3=O)CC[C@@H]21 ZINC000879570354 584240799 /nfs/dbraw/zinc/24/07/99/584240799.db2.gz YPPPXKVFUQRKSL-MNOVXSKESA-N 2 2 266.345 -0.436 20 0 CBADLP C[N@H+]1CC[C@@H]2C[NH+](CC(=O)N3CCNC3=O)CC[C@@H]21 ZINC000879570354 584240801 /nfs/dbraw/zinc/24/08/01/584240801.db2.gz YPPPXKVFUQRKSL-MNOVXSKESA-N 2 2 266.345 -0.436 20 0 CBADLP C[NH+]1CC[C@@H]2C[N@H+](CC(=O)N3CCNC3=O)CC[C@@H]21 ZINC000879570354 584240802 /nfs/dbraw/zinc/24/08/02/584240802.db2.gz YPPPXKVFUQRKSL-MNOVXSKESA-N 2 2 266.345 -0.436 20 0 CBADLP C[NH+]1CC[C@@H]2C[N@@H+](CC(=O)N3CCNC3=O)CC[C@@H]21 ZINC000879570354 584240804 /nfs/dbraw/zinc/24/08/04/584240804.db2.gz YPPPXKVFUQRKSL-MNOVXSKESA-N 2 2 266.345 -0.436 20 0 CBADLP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879569596 584240978 /nfs/dbraw/zinc/24/09/78/584240978.db2.gz RYECGUYAXREGLF-DCAQKATOSA-N 2 2 268.361 -0.144 20 0 CBADLP CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879569596 584240980 /nfs/dbraw/zinc/24/09/80/584240980.db2.gz RYECGUYAXREGLF-DCAQKATOSA-N 2 2 268.361 -0.144 20 0 CBADLP CNC(=O)NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879569596 584240981 /nfs/dbraw/zinc/24/09/81/584240981.db2.gz RYECGUYAXREGLF-DCAQKATOSA-N 2 2 268.361 -0.144 20 0 CBADLP CNC(=O)NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879569596 584240983 /nfs/dbraw/zinc/24/09/83/584240983.db2.gz RYECGUYAXREGLF-DCAQKATOSA-N 2 2 268.361 -0.144 20 0 CBADLP CNS(=O)(=O)CCC[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879573841 584241365 /nfs/dbraw/zinc/24/13/65/584241365.db2.gz SLSLPVAAKUSGGT-NEPJUHHUSA-N 2 2 275.418 -0.048 20 0 CBADLP CNS(=O)(=O)CCC[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879573841 584241366 /nfs/dbraw/zinc/24/13/66/584241366.db2.gz SLSLPVAAKUSGGT-NEPJUHHUSA-N 2 2 275.418 -0.048 20 0 CBADLP CNS(=O)(=O)CCC[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879573841 584241368 /nfs/dbraw/zinc/24/13/68/584241368.db2.gz SLSLPVAAKUSGGT-NEPJUHHUSA-N 2 2 275.418 -0.048 20 0 CBADLP CNS(=O)(=O)CCC[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879573841 584241370 /nfs/dbraw/zinc/24/13/70/584241370.db2.gz SLSLPVAAKUSGGT-NEPJUHHUSA-N 2 2 275.418 -0.048 20 0 CBADLP C[N@@H+]1CC[C@@H]2C[NH+]([C@@H]3CCC(=O)NC3=O)CC[C@@H]21 ZINC000879579645 584241689 /nfs/dbraw/zinc/24/16/89/584241689.db2.gz AONCMEIQEQPQMC-OUAUKWLOSA-N 2 2 251.330 -0.182 20 0 CBADLP C[N@H+]1CC[C@@H]2C[NH+]([C@@H]3CCC(=O)NC3=O)CC[C@@H]21 ZINC000879579645 584241690 /nfs/dbraw/zinc/24/16/90/584241690.db2.gz AONCMEIQEQPQMC-OUAUKWLOSA-N 2 2 251.330 -0.182 20 0 CBADLP C[NH+]1CC[C@@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)CC[C@@H]21 ZINC000879579645 584241691 /nfs/dbraw/zinc/24/16/91/584241691.db2.gz AONCMEIQEQPQMC-OUAUKWLOSA-N 2 2 251.330 -0.182 20 0 CBADLP C[NH+]1CC[C@@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)CC[C@@H]21 ZINC000879579645 584241692 /nfs/dbraw/zinc/24/16/92/584241692.db2.gz AONCMEIQEQPQMC-OUAUKWLOSA-N 2 2 251.330 -0.182 20 0 CBADLP C[N@@H+]1CC[C@@H]2C[NH+]([C@H]3CCC(=O)NC3=O)CC[C@H]21 ZINC000879579644 584241980 /nfs/dbraw/zinc/24/19/80/584241980.db2.gz AONCMEIQEQPQMC-MXWKQRLJSA-N 2 2 251.330 -0.182 20 0 CBADLP C[N@H+]1CC[C@@H]2C[NH+]([C@H]3CCC(=O)NC3=O)CC[C@H]21 ZINC000879579644 584241983 /nfs/dbraw/zinc/24/19/83/584241983.db2.gz AONCMEIQEQPQMC-MXWKQRLJSA-N 2 2 251.330 -0.182 20 0 CBADLP C[NH+]1CC[C@@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)CC[C@H]21 ZINC000879579644 584241985 /nfs/dbraw/zinc/24/19/85/584241985.db2.gz AONCMEIQEQPQMC-MXWKQRLJSA-N 2 2 251.330 -0.182 20 0 CBADLP C[NH+]1CC[C@@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)CC[C@H]21 ZINC000879579644 584241988 /nfs/dbraw/zinc/24/19/88/584241988.db2.gz AONCMEIQEQPQMC-MXWKQRLJSA-N 2 2 251.330 -0.182 20 0 CBADLP CN1CC(=O)N(CC[N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)C1=O ZINC000879579681 584242065 /nfs/dbraw/zinc/24/20/65/584242065.db2.gz OFTJXYNBUWJWSW-NEPJUHHUSA-N 2 2 280.372 -0.094 20 0 CBADLP CN1CC(=O)N(CC[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)C1=O ZINC000879579681 584242068 /nfs/dbraw/zinc/24/20/68/584242068.db2.gz OFTJXYNBUWJWSW-NEPJUHHUSA-N 2 2 280.372 -0.094 20 0 CBADLP CN1CC(=O)N(CC[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)C1=O ZINC000879579681 584242069 /nfs/dbraw/zinc/24/20/69/584242069.db2.gz OFTJXYNBUWJWSW-NEPJUHHUSA-N 2 2 280.372 -0.094 20 0 CBADLP CN1CC(=O)N(CC[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)C1=O ZINC000879579681 584242072 /nfs/dbraw/zinc/24/20/72/584242072.db2.gz OFTJXYNBUWJWSW-NEPJUHHUSA-N 2 2 280.372 -0.094 20 0 CBADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](O)[C@@H](O)C2)CC1 ZINC000879612117 584243024 /nfs/dbraw/zinc/24/30/24/584243024.db2.gz RHFAERBHHUBNPX-KGLIPLIRSA-N 2 2 299.415 -0.597 20 0 CBADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](O)[C@@H](O)C2)CC1 ZINC000879612117 584243025 /nfs/dbraw/zinc/24/30/25/584243025.db2.gz RHFAERBHHUBNPX-KGLIPLIRSA-N 2 2 299.415 -0.597 20 0 CBADLP C[N@@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCC(=O)NC(N)=O ZINC000880130651 584263587 /nfs/dbraw/zinc/26/35/87/584263587.db2.gz HBWXXMWQVQCHSI-ZJUUUORDSA-N 2 2 254.334 -0.260 20 0 CBADLP C[N@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCC(=O)NC(N)=O ZINC000880130651 584263589 /nfs/dbraw/zinc/26/35/89/584263589.db2.gz HBWXXMWQVQCHSI-ZJUUUORDSA-N 2 2 254.334 -0.260 20 0 CBADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@@H+]2CCC(=O)NC(N)=O ZINC000880130651 584263592 /nfs/dbraw/zinc/26/35/92/584263592.db2.gz HBWXXMWQVQCHSI-ZJUUUORDSA-N 2 2 254.334 -0.260 20 0 CBADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@H+]2CCC(=O)NC(N)=O ZINC000880130651 584263595 /nfs/dbraw/zinc/26/35/95/584263595.db2.gz HBWXXMWQVQCHSI-ZJUUUORDSA-N 2 2 254.334 -0.260 20 0 CBADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCC(=O)NC(N)=O ZINC000880130650 584263605 /nfs/dbraw/zinc/26/36/05/584263605.db2.gz HBWXXMWQVQCHSI-VHSXEESVSA-N 2 2 254.334 -0.260 20 0 CBADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCC(=O)NC(N)=O ZINC000880130650 584263608 /nfs/dbraw/zinc/26/36/08/584263608.db2.gz HBWXXMWQVQCHSI-VHSXEESVSA-N 2 2 254.334 -0.260 20 0 CBADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCC(=O)NC(N)=O ZINC000880130650 584263609 /nfs/dbraw/zinc/26/36/09/584263609.db2.gz HBWXXMWQVQCHSI-VHSXEESVSA-N 2 2 254.334 -0.260 20 0 CBADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2CCC(=O)NC(N)=O ZINC000880130650 584263612 /nfs/dbraw/zinc/26/36/12/584263612.db2.gz HBWXXMWQVQCHSI-VHSXEESVSA-N 2 2 254.334 -0.260 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H]2CN(C(C)=O)C[C@H]2C1 ZINC000880312930 584268904 /nfs/dbraw/zinc/26/89/04/584268904.db2.gz ZTQVPEUDELQQBJ-MJBXVCDLSA-N 2 2 269.389 -0.291 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H]2CN(C(C)=O)C[C@H]2C1 ZINC000880312930 584268907 /nfs/dbraw/zinc/26/89/07/584268907.db2.gz ZTQVPEUDELQQBJ-MJBXVCDLSA-N 2 2 269.389 -0.291 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H]2CN(C(C)=O)C[C@H]2C1 ZINC000880312930 584268909 /nfs/dbraw/zinc/26/89/09/584268909.db2.gz ZTQVPEUDELQQBJ-MJBXVCDLSA-N 2 2 269.389 -0.291 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H]2CN(C(C)=O)C[C@H]2C1 ZINC000880312930 584268911 /nfs/dbraw/zinc/26/89/11/584268911.db2.gz ZTQVPEUDELQQBJ-MJBXVCDLSA-N 2 2 269.389 -0.291 20 0 CBADLP Cc1[nH+]ccn1CC[N@@H+]1CCC(=O)NCC12COC2 ZINC000880401527 584272053 /nfs/dbraw/zinc/27/20/53/584272053.db2.gz VETQLAHHRPGVBY-UHFFFAOYSA-N 2 2 264.329 -0.218 20 0 CBADLP Cc1[nH+]ccn1CC[N@H+]1CCC(=O)NCC12COC2 ZINC000880401527 584272055 /nfs/dbraw/zinc/27/20/55/584272055.db2.gz VETQLAHHRPGVBY-UHFFFAOYSA-N 2 2 264.329 -0.218 20 0 CBADLP COC(=O)[C@@]1(O)CC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000880565146 584281353 /nfs/dbraw/zinc/28/13/53/584281353.db2.gz IKDMYUCYJVJXLX-GFCCVEGCSA-N 2 2 253.302 -0.428 20 0 CBADLP COC(=O)[C@@]1(O)CC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000880565146 584281355 /nfs/dbraw/zinc/28/13/55/584281355.db2.gz IKDMYUCYJVJXLX-GFCCVEGCSA-N 2 2 253.302 -0.428 20 0 CBADLP CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000882485731 584318492 /nfs/dbraw/zinc/31/84/92/584318492.db2.gz LNGLAYJLNNEXEJ-CHWSQXEVSA-N 2 2 268.405 -0.167 20 0 CBADLP CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000882485731 584318494 /nfs/dbraw/zinc/31/84/94/584318494.db2.gz LNGLAYJLNNEXEJ-CHWSQXEVSA-N 2 2 268.405 -0.167 20 0 CBADLP C[N@@H+](CCNc1cc[nH+]cc1F)CCOCCO ZINC000882950918 584334819 /nfs/dbraw/zinc/33/48/19/584334819.db2.gz GMJPHQJPGGGSRC-UHFFFAOYSA-N 2 2 257.309 -0.005 20 0 CBADLP CN(C)C(=O)C[NH+]1CCN(C[C@@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000883422736 584341519 /nfs/dbraw/zinc/34/15/19/584341519.db2.gz TVLRPQRKPKFFBJ-RYUDHWBXSA-N 2 2 272.368 -0.608 20 0 CBADLP [NH3+]CC[N@H+](CCCOC(F)(F)F)C[C@@H](O)CO ZINC000883435202 584342260 /nfs/dbraw/zinc/34/22/60/584342260.db2.gz MOUCJSBNDQOEHQ-MRVPVSSYSA-N 2 2 260.256 -0.473 20 0 CBADLP [NH3+]CC[N@@H+](CCCOC(F)(F)F)C[C@@H](O)CO ZINC000883435202 584342262 /nfs/dbraw/zinc/34/22/62/584342262.db2.gz MOUCJSBNDQOEHQ-MRVPVSSYSA-N 2 2 260.256 -0.473 20 0 CBADLP COCC[C@@H]([NH3+])C(=O)N1CC[NH+](CCOC)CC1 ZINC000884182316 584364562 /nfs/dbraw/zinc/36/45/62/584364562.db2.gz FVLYVRODMOLELX-LLVKDONJSA-N 2 2 259.350 -0.859 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]([NH3+])CC2CC2)CCO1 ZINC000884205778 584366792 /nfs/dbraw/zinc/36/67/92/584366792.db2.gz FZOVXGOJYAMCSE-ZYHUDNBSSA-N 2 2 255.362 -0.049 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]([NH3+])CC2CC2)CCO1 ZINC000884205778 584366794 /nfs/dbraw/zinc/36/67/94/584366794.db2.gz FZOVXGOJYAMCSE-ZYHUDNBSSA-N 2 2 255.362 -0.049 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)c2ncoc2C[NH3+])CCO1 ZINC000884206475 584366909 /nfs/dbraw/zinc/36/69/09/584366909.db2.gz WDMNCJNWJXYCET-VIFPVBQESA-N 2 2 268.317 -0.416 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)c2ncoc2C[NH3+])CCO1 ZINC000884206475 584366910 /nfs/dbraw/zinc/36/69/10/584366910.db2.gz WDMNCJNWJXYCET-VIFPVBQESA-N 2 2 268.317 -0.416 20 0 CBADLP COCC[C@H]([NH3+])C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000884212579 584367628 /nfs/dbraw/zinc/36/76/28/584367628.db2.gz IZOHMDZEIZCADI-WOPDTQHZSA-N 2 2 273.377 -0.424 20 0 CBADLP C[C@@H](NC(=O)c1ncoc1C[NH3+])[C@H](C)[NH+]1CCOCC1 ZINC000884212802 584367701 /nfs/dbraw/zinc/36/77/01/584367701.db2.gz MKVQDRDNEBKYMF-ZJUUUORDSA-N 2 2 282.344 -0.028 20 0 CBADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884235107 584369215 /nfs/dbraw/zinc/36/92/15/584369215.db2.gz MJDWULUFRQLKIP-QWHCGFSZSA-N 2 2 282.432 -0.016 20 0 CBADLP COCC[C@@H]([NH3+])C(=O)N(C)CC[NH+]1CCOCC1 ZINC000884308917 584373373 /nfs/dbraw/zinc/37/33/73/584373373.db2.gz HEWLOJJRIYNCMP-LLVKDONJSA-N 2 2 259.350 -0.859 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)c2ncoc2C[NH3+])[C@@H](C)CO1 ZINC000884401509 584379099 /nfs/dbraw/zinc/37/90/99/584379099.db2.gz SBIIKSDBJUEBLD-UWVGGRQHSA-N 2 2 282.344 -0.028 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)c2ncoc2C[NH3+])[C@@H](C)CO1 ZINC000884401509 584379100 /nfs/dbraw/zinc/37/91/00/584379100.db2.gz SBIIKSDBJUEBLD-UWVGGRQHSA-N 2 2 282.344 -0.028 20 0 CBADLP COCC[C@@H]([NH3+])C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000884463226 584382916 /nfs/dbraw/zinc/38/29/16/584382916.db2.gz AHBIVWCETFJNEB-GFCCVEGCSA-N 3 2 293.371 -0.207 20 0 CBADLP CN(C)c1[nH+]cc(C[NH2+][C@H]2C[C@@H](O)[C@@H](O)C2)n1C ZINC000886254011 584435559 /nfs/dbraw/zinc/43/55/59/584435559.db2.gz SHEFBLSCBLQAAB-GUDFOSOFSA-N 2 2 254.334 -0.540 20 0 CBADLP C[NH+](C)CCN1CC[N@H+](C[C@](C)(O)C(F)F)CC1=O ZINC000886267650 584435714 /nfs/dbraw/zinc/43/57/14/584435714.db2.gz RSLKUSXUHZJEQM-LBPRGKRZSA-N 2 2 279.331 -0.292 20 0 CBADLP C[NH+](C)CCN1CC[N@@H+](C[C@](C)(O)C(F)F)CC1=O ZINC000886267650 584435716 /nfs/dbraw/zinc/43/57/16/584435716.db2.gz RSLKUSXUHZJEQM-LBPRGKRZSA-N 2 2 279.331 -0.292 20 0 CBADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@](C)(O)C(F)F ZINC000886308489 584437107 /nfs/dbraw/zinc/43/71/07/584437107.db2.gz FBXZUGWVLOVDTD-GFCCVEGCSA-N 2 2 279.331 -0.292 20 0 CBADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@](C)(O)C(F)F ZINC000886308489 584437109 /nfs/dbraw/zinc/43/71/09/584437109.db2.gz FBXZUGWVLOVDTD-GFCCVEGCSA-N 2 2 279.331 -0.292 20 0 CBADLP C[N@H+](CCO)CCNC(=O)Nc1cc2n(n1)CC[NH+](C)C2 ZINC000889422964 584527264 /nfs/dbraw/zinc/52/72/64/584527264.db2.gz VJHAWSSARQKUJL-UHFFFAOYSA-N 2 2 296.375 -0.626 20 0 CBADLP C[N@@H+](CCO)CCNC(=O)Nc1cc2n(n1)CC[NH+](C)C2 ZINC000889422964 584527265 /nfs/dbraw/zinc/52/72/65/584527265.db2.gz VJHAWSSARQKUJL-UHFFFAOYSA-N 2 2 296.375 -0.626 20 0 CBADLP C[NH+](CCO)CCNC(=O)Nc1cc2n(n1)CC[N@H+](C)C2 ZINC000889422964 584527267 /nfs/dbraw/zinc/52/72/67/584527267.db2.gz VJHAWSSARQKUJL-UHFFFAOYSA-N 2 2 296.375 -0.626 20 0 CBADLP C[NH+](CCO)CCNC(=O)Nc1cc2n(n1)CC[N@@H+](C)C2 ZINC000889422964 584527269 /nfs/dbraw/zinc/52/72/69/584527269.db2.gz VJHAWSSARQKUJL-UHFFFAOYSA-N 2 2 296.375 -0.626 20 0 CBADLP Cn1c[nH+]c(CNC(=O)CC[NH+]2CCOCC2)c1 ZINC000890114676 584543754 /nfs/dbraw/zinc/54/37/54/584543754.db2.gz UOUDCSKDNJPYKK-UHFFFAOYSA-N 2 2 252.318 -0.241 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000891350423 584579646 /nfs/dbraw/zinc/57/96/46/584579646.db2.gz RIBDBLXJTVRPAZ-UTUOFQBUSA-N 2 2 270.377 -0.256 20 0 CBADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000891527803 584584429 /nfs/dbraw/zinc/58/44/29/584584429.db2.gz LOLJSXUKZDIFAQ-UPJWGTAASA-N 2 2 283.420 -0.247 20 0 CBADLP CN1CC[N@H+](C)[C@H](CNC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000891539462 584584794 /nfs/dbraw/zinc/58/47/94/584584794.db2.gz BBCJKILVYSKGBY-FRRDWIJNSA-N 2 2 283.420 -0.199 20 0 CBADLP CN1CC[N@@H+](C)[C@H](CNC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000891539462 584584796 /nfs/dbraw/zinc/58/47/96/584584796.db2.gz BBCJKILVYSKGBY-FRRDWIJNSA-N 2 2 283.420 -0.199 20 0 CBADLP Nc1nc(N2CCC[N@H+](CCO)CC2)nc(C2CC2)[nH+]1 ZINC000892338132 584615391 /nfs/dbraw/zinc/61/53/91/584615391.db2.gz OPWJXFCVIBCQPN-UHFFFAOYSA-N 2 2 278.360 -0.164 20 0 CBADLP Nc1nc(N2CCC[N@@H+](CCO)CC2)nc(C2CC2)[nH+]1 ZINC000892338132 584615394 /nfs/dbraw/zinc/61/53/94/584615394.db2.gz OPWJXFCVIBCQPN-UHFFFAOYSA-N 2 2 278.360 -0.164 20 0 CBADLP C[C@@H]1C[C@H](NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])[C@H](C)O1 ZINC000892425503 584616698 /nfs/dbraw/zinc/61/66/98/584616698.db2.gz OGKIPSQATKPENQ-KXNHARMFSA-N 2 2 270.377 -0.163 20 0 CBADLP C[C@@H]1C[C@H](NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])[C@H](C)O1 ZINC000892425503 584616700 /nfs/dbraw/zinc/61/67/00/584616700.db2.gz OGKIPSQATKPENQ-KXNHARMFSA-N 2 2 270.377 -0.163 20 0 CBADLP [NH3+][C@H]1C[C@H](CNC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000892566018 584619014 /nfs/dbraw/zinc/61/90/14/584619014.db2.gz IAKQRQPKFSUSMP-AVGNSLFASA-N 2 2 282.388 -0.160 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+]C[C@H]2COC(C)(C)O2)CC1 ZINC000892713515 584623699 /nfs/dbraw/zinc/62/36/99/584623699.db2.gz ILJHKJBGCHBALD-NSHDSACASA-N 2 2 271.361 -0.499 20 0 CBADLP CO[C@H]1C[C@H](CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])C1 ZINC000892834279 584627073 /nfs/dbraw/zinc/62/70/73/584627073.db2.gz DCMANMQISXFGAV-IJLUTSLNSA-N 2 2 270.377 -0.304 20 0 CBADLP CO[C@H]1C[C@H](CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])C1 ZINC000892834279 584627074 /nfs/dbraw/zinc/62/70/74/584627074.db2.gz DCMANMQISXFGAV-IJLUTSLNSA-N 2 2 270.377 -0.304 20 0 CBADLP Nc1nc(N2CC[N@@H+]3CCOC[C@H]3C2)nc(C2CC2)[nH+]1 ZINC000893160425 584636079 /nfs/dbraw/zinc/63/60/79/584636079.db2.gz WGVRMRQPPKHJJI-SNVBAGLBSA-N 2 2 276.344 -0.148 20 0 CBADLP Nc1nc(N2CC[N@H+]3CCOC[C@H]3C2)nc(C2CC2)[nH+]1 ZINC000893160425 584636081 /nfs/dbraw/zinc/63/60/81/584636081.db2.gz WGVRMRQPPKHJJI-SNVBAGLBSA-N 2 2 276.344 -0.148 20 0 CBADLP O[C@@H]1CC[N@@H+](C2CN(c3nccn4c[nH+]cc34)C2)C1 ZINC000894348472 584655892 /nfs/dbraw/zinc/65/58/92/584655892.db2.gz CMLKSHNXEOXMEN-LLVKDONJSA-N 2 2 259.313 -0.016 20 0 CBADLP O[C@@H]1CC[N@H+](C2CN(c3nccn4c[nH+]cc34)C2)C1 ZINC000894348472 584655894 /nfs/dbraw/zinc/65/58/94/584655894.db2.gz CMLKSHNXEOXMEN-LLVKDONJSA-N 2 2 259.313 -0.016 20 0 CBADLP Cc1cc[nH+]c(N)c1C[NH2+]CC(=O)N1CCOCC1 ZINC000894376455 584657033 /nfs/dbraw/zinc/65/70/33/584657033.db2.gz ZICRIACZGPGGPG-UHFFFAOYSA-N 2 2 264.329 -0.079 20 0 CBADLP CN(C)S(=O)(=O)N1CCC[C@@H]([NH2+]Cc2c[nH+]c[nH]2)C1 ZINC000894762867 584664061 /nfs/dbraw/zinc/66/40/61/584664061.db2.gz ZOPBXVOQAJNHDO-SNVBAGLBSA-N 2 2 287.389 -0.230 20 0 CBADLP COC(=O)[C@H]1[C@@H](C[NH2+]CC[N@@H+]2CC[C@@H](O)C2)C1(F)F ZINC000895406276 584678367 /nfs/dbraw/zinc/67/83/67/584678367.db2.gz SMAXSTBKDPDVPI-OPRDCNLKSA-N 2 2 278.299 -0.303 20 0 CBADLP COC(=O)[C@H]1[C@@H](C[NH2+]CC[N@H+]2CC[C@@H](O)C2)C1(F)F ZINC000895406276 584678368 /nfs/dbraw/zinc/67/83/68/584678368.db2.gz SMAXSTBKDPDVPI-OPRDCNLKSA-N 2 2 278.299 -0.303 20 0 CBADLP COC(=O)[C@H]1[C@@H](C[NH2+]CC[N@@H+]2CC[C@H](O)C2)C1(F)F ZINC000895416231 584678565 /nfs/dbraw/zinc/67/85/65/584678565.db2.gz SMAXSTBKDPDVPI-IVZWLZJFSA-N 2 2 278.299 -0.303 20 0 CBADLP COC(=O)[C@H]1[C@@H](C[NH2+]CC[N@H+]2CC[C@H](O)C2)C1(F)F ZINC000895416231 584678567 /nfs/dbraw/zinc/67/85/67/584678567.db2.gz SMAXSTBKDPDVPI-IVZWLZJFSA-N 2 2 278.299 -0.303 20 0 CBADLP Cn1cc[nH+]c1CNC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000896154719 584693419 /nfs/dbraw/zinc/69/34/19/584693419.db2.gz FOZDVDSNJZOLQC-LLVKDONJSA-N 2 2 264.329 -0.243 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000897146301 584709124 /nfs/dbraw/zinc/70/91/24/584709124.db2.gz QBGZATKDBVOCQE-NEPJUHHUSA-N 2 2 252.362 -0.803 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000897146301 584709125 /nfs/dbraw/zinc/70/91/25/584709125.db2.gz QBGZATKDBVOCQE-NEPJUHHUSA-N 2 2 252.362 -0.803 20 0 CBADLP COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000897444905 584716528 /nfs/dbraw/zinc/71/65/28/584716528.db2.gz VWQCSHSJLWJVRP-QWRGUYRKSA-N 2 2 280.328 -0.365 20 0 CBADLP COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC000897444905 584716529 /nfs/dbraw/zinc/71/65/29/584716529.db2.gz VWQCSHSJLWJVRP-QWRGUYRKSA-N 2 2 280.328 -0.365 20 0 CBADLP C[C@H]1CN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)CC[N@@H+]1CCO ZINC000897456605 584716954 /nfs/dbraw/zinc/71/69/54/584716954.db2.gz ZXKCPFABNWHQFS-JSGCOSHPSA-N 2 2 297.399 -0.768 20 0 CBADLP C[C@H]1CN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)CC[N@H+]1CCO ZINC000897456605 584716956 /nfs/dbraw/zinc/71/69/56/584716956.db2.gz ZXKCPFABNWHQFS-JSGCOSHPSA-N 2 2 297.399 -0.768 20 0 CBADLP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000897490179 584717917 /nfs/dbraw/zinc/71/79/17/584717917.db2.gz WECYTOBXMNWARH-NWDGAFQWSA-N 2 2 293.371 -0.402 20 0 CBADLP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000897490179 584717919 /nfs/dbraw/zinc/71/79/19/584717919.db2.gz WECYTOBXMNWARH-NWDGAFQWSA-N 2 2 293.371 -0.402 20 0 CBADLP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NCCn1cc[nH+]c1C ZINC000897604597 584721195 /nfs/dbraw/zinc/72/11/95/584721195.db2.gz SGYQBTIMGHHNSY-GFCCVEGCSA-N 2 2 293.371 -0.482 20 0 CBADLP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)NCCn1cc[nH+]c1C ZINC000897604597 584721197 /nfs/dbraw/zinc/72/11/97/584721197.db2.gz SGYQBTIMGHHNSY-GFCCVEGCSA-N 2 2 293.371 -0.482 20 0 CBADLP COCC[NH+](CCOC)C1CN(C(=O)C2([NH+](C)C)CC2)C1 ZINC000898251091 584733591 /nfs/dbraw/zinc/73/35/91/584733591.db2.gz JYSKCLYKRBLCDR-UHFFFAOYSA-N 2 2 299.415 -0.114 20 0 CBADLP CC[C@@H](C(=O)NCC[N@@H+]1CCC2(C1)OCCO2)[NH+](C)C ZINC000899059864 584749262 /nfs/dbraw/zinc/74/92/62/584749262.db2.gz VALCPMUQYPTHLO-LBPRGKRZSA-N 2 2 285.388 -0.108 20 0 CBADLP CC[C@@H](C(=O)NCC[N@H+]1CCC2(C1)OCCO2)[NH+](C)C ZINC000899059864 584749264 /nfs/dbraw/zinc/74/92/64/584749264.db2.gz VALCPMUQYPTHLO-LBPRGKRZSA-N 2 2 285.388 -0.108 20 0 CBADLP O=C(CCc1[nH]cc[nH+]1)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000899062665 584749518 /nfs/dbraw/zinc/74/95/18/584749518.db2.gz WPFWTLVIPINZBJ-UHFFFAOYSA-N 2 2 294.355 -0.093 20 0 CBADLP O=C(CCc1[nH]cc[nH+]1)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000899062665 584749521 /nfs/dbraw/zinc/74/95/21/584749521.db2.gz WPFWTLVIPINZBJ-UHFFFAOYSA-N 2 2 294.355 -0.093 20 0 CBADLP C[C@H](C(=O)NCC[N@@H+]1CCC2(C1)OCCO2)[NH+](C)C ZINC000899064582 584749882 /nfs/dbraw/zinc/74/98/82/584749882.db2.gz BAAIASJRAHPLAQ-LLVKDONJSA-N 2 2 271.361 -0.499 20 0 CBADLP C[C@H](C(=O)NCC[N@H+]1CCC2(C1)OCCO2)[NH+](C)C ZINC000899064582 584749884 /nfs/dbraw/zinc/74/98/84/584749884.db2.gz BAAIASJRAHPLAQ-LLVKDONJSA-N 2 2 271.361 -0.499 20 0 CBADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)CO)CC2)CC1 ZINC000899167880 584752415 /nfs/dbraw/zinc/75/24/15/584752415.db2.gz QWWQKWHZZVFYQK-UHFFFAOYSA-N 2 2 269.389 -0.003 20 0 CBADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)CO)CC2)CC1 ZINC000899167880 584752416 /nfs/dbraw/zinc/75/24/16/584752416.db2.gz QWWQKWHZZVFYQK-UHFFFAOYSA-N 2 2 269.389 -0.003 20 0 CBADLP C[N@H+](CCO)CCNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000899730471 584776093 /nfs/dbraw/zinc/77/60/93/584776093.db2.gz YPNFYLLSLJMDQO-UHFFFAOYSA-N 2 2 276.340 -0.083 20 0 CBADLP C[N@@H+](CCO)CCNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000899730471 584776095 /nfs/dbraw/zinc/77/60/95/584776095.db2.gz YPNFYLLSLJMDQO-UHFFFAOYSA-N 2 2 276.340 -0.083 20 0 CBADLP C[N@H+](CCO)CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000899732569 584776817 /nfs/dbraw/zinc/77/68/17/584776817.db2.gz JIGPTBOBDYWZRI-LLVKDONJSA-N 2 2 266.345 -0.514 20 0 CBADLP C[N@@H+](CCO)CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000899732569 584776819 /nfs/dbraw/zinc/77/68/19/584776819.db2.gz JIGPTBOBDYWZRI-LLVKDONJSA-N 2 2 266.345 -0.514 20 0 CBADLP C[N@H+](CCO)CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000899738842 584778648 /nfs/dbraw/zinc/77/86/48/584778648.db2.gz NNCCIKTUFFEBAS-NSHDSACASA-N 2 2 266.345 -0.514 20 0 CBADLP C[N@@H+](CCO)CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000899738842 584778650 /nfs/dbraw/zinc/77/86/50/584778650.db2.gz NNCCIKTUFFEBAS-NSHDSACASA-N 2 2 266.345 -0.514 20 0 CBADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)NCC[N@H+](C)CCO)CC2 ZINC000899740329 584779018 /nfs/dbraw/zinc/77/90/18/584779018.db2.gz BKJXKHNXJQLMCS-LBPRGKRZSA-N 2 2 280.372 -0.206 20 0 CBADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)NCC[N@@H+](C)CCO)CC2 ZINC000899740329 584779020 /nfs/dbraw/zinc/77/90/20/584779020.db2.gz BKJXKHNXJQLMCS-LBPRGKRZSA-N 2 2 280.372 -0.206 20 0 CBADLP Cc1cn2c([nH+]1)C[C@H](C(=O)NCC[N@H+](C)CCO)CC2 ZINC000899740328 584779041 /nfs/dbraw/zinc/77/90/41/584779041.db2.gz BKJXKHNXJQLMCS-GFCCVEGCSA-N 2 2 280.372 -0.206 20 0 CBADLP Cc1cn2c([nH+]1)C[C@H](C(=O)NCC[N@@H+](C)CCO)CC2 ZINC000899740328 584779043 /nfs/dbraw/zinc/77/90/43/584779043.db2.gz BKJXKHNXJQLMCS-GFCCVEGCSA-N 2 2 280.372 -0.206 20 0 CBADLP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCCCn1cc[nH+]c1 ZINC000899920531 584784953 /nfs/dbraw/zinc/78/49/53/584784953.db2.gz JSHGSBWSHBKYRW-AAEUAGOBSA-N 2 2 266.345 -0.156 20 0 CBADLP C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCCCn1cc[nH+]c1 ZINC000899920531 584784955 /nfs/dbraw/zinc/78/49/55/584784955.db2.gz JSHGSBWSHBKYRW-AAEUAGOBSA-N 2 2 266.345 -0.156 20 0 CBADLP C/C(=C/C(=O)NCC[NH+](C)C)C[NH+]1CCOCC1 ZINC000899919797 584784969 /nfs/dbraw/zinc/78/49/69/584784969.db2.gz GFODNGHEGSLWCN-BENRWUELSA-N 2 2 255.362 -0.057 20 0 CBADLP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCCC[NH+]1CCOCC1 ZINC000899921361 584785337 /nfs/dbraw/zinc/78/53/37/584785337.db2.gz VAALXHDGIYGHDO-GXTWGEPZSA-N 2 2 285.388 -0.720 20 0 CBADLP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCCC[NH+]1CCOCC1 ZINC000899921361 584785338 /nfs/dbraw/zinc/78/53/38/584785338.db2.gz VAALXHDGIYGHDO-GXTWGEPZSA-N 2 2 285.388 -0.720 20 0 CBADLP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000899957734 584786815 /nfs/dbraw/zinc/78/68/15/584786815.db2.gz BEZALSAZPVGLPV-WFASDCNBSA-N 2 2 299.415 -0.332 20 0 CBADLP C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000899957734 584786816 /nfs/dbraw/zinc/78/68/16/584786816.db2.gz BEZALSAZPVGLPV-WFASDCNBSA-N 2 2 299.415 -0.332 20 0 CBADLP C/C(=C\C(=O)N1CC[NH+](CCO)CC1)C[NH+]1CCOCC1 ZINC000900147439 584792658 /nfs/dbraw/zinc/79/26/58/584792658.db2.gz MVAXWNYVEQOUIX-WYMLVPIESA-N 2 2 297.399 -0.599 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)C23CC[NH+](CC2)C3)CCO1 ZINC000900486137 584807403 /nfs/dbraw/zinc/80/74/03/584807403.db2.gz SMJXFZKPADGWKR-LBPRGKRZSA-N 2 2 267.373 -0.081 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)C23CC[NH+](CC2)C3)CCO1 ZINC000900486137 584807405 /nfs/dbraw/zinc/80/74/05/584807405.db2.gz SMJXFZKPADGWKR-LBPRGKRZSA-N 2 2 267.373 -0.081 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)C[C@]2(O)CCC[NH+](C)C2)CCO1 ZINC000900486156 584807451 /nfs/dbraw/zinc/80/74/51/584807451.db2.gz SSSYYTGQKIAQLF-DZGCQCFKSA-N 2 2 299.415 -0.330 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)C[C@]2(O)CCC[NH+](C)C2)CCO1 ZINC000900486156 584807452 /nfs/dbraw/zinc/80/74/52/584807452.db2.gz SSSYYTGQKIAQLF-DZGCQCFKSA-N 2 2 299.415 -0.330 20 0 CBADLP C[C@H]1C[NH+](CCNC(=O)C[C@]2(O)CCC[N@H+](C)C2)CCO1 ZINC000900486156 584807453 /nfs/dbraw/zinc/80/74/53/584807453.db2.gz SSSYYTGQKIAQLF-DZGCQCFKSA-N 2 2 299.415 -0.330 20 0 CBADLP C[C@H]1C[NH+](CCNC(=O)C[C@]2(O)CCC[N@@H+](C)C2)CCO1 ZINC000900486156 584807454 /nfs/dbraw/zinc/80/74/54/584807454.db2.gz SSSYYTGQKIAQLF-DZGCQCFKSA-N 2 2 299.415 -0.330 20 0 CBADLP Cn1cc[nH+]c1CNC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000900563666 584812712 /nfs/dbraw/zinc/81/27/12/584812712.db2.gz PUUFDIFYZPXNPI-ZDUSSCGKSA-N 2 2 266.345 -0.117 20 0 CBADLP Cn1cc[nH+]c1CNC(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000900563666 584812713 /nfs/dbraw/zinc/81/27/13/584812713.db2.gz PUUFDIFYZPXNPI-ZDUSSCGKSA-N 2 2 266.345 -0.117 20 0 CBADLP Cn1cc[nH+]c1CNC(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000900563664 584812725 /nfs/dbraw/zinc/81/27/25/584812725.db2.gz PUUFDIFYZPXNPI-CYBMUJFWSA-N 2 2 266.345 -0.117 20 0 CBADLP Cn1cc[nH+]c1CNC(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000900563664 584812726 /nfs/dbraw/zinc/81/27/26/584812726.db2.gz PUUFDIFYZPXNPI-CYBMUJFWSA-N 2 2 266.345 -0.117 20 0 CBADLP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000900718380 584824516 /nfs/dbraw/zinc/82/45/16/584824516.db2.gz SDDJJUXGTXYYHA-YPMHNXCESA-N 2 2 264.329 -0.279 20 0 CBADLP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000900718380 584824518 /nfs/dbraw/zinc/82/45/18/584824518.db2.gz SDDJJUXGTXYYHA-YPMHNXCESA-N 2 2 264.329 -0.279 20 0 CBADLP Cc1[nH+]c[nH]c1CNC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC000900918034 584832821 /nfs/dbraw/zinc/83/28/21/584832821.db2.gz FIKUNQNRWJDBPK-CABZTGNLSA-N 2 2 252.318 -0.211 20 0 CBADLP Cc1[nH+]c[nH]c1CNC(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC000900918034 584832822 /nfs/dbraw/zinc/83/28/22/584832822.db2.gz FIKUNQNRWJDBPK-CABZTGNLSA-N 2 2 252.318 -0.211 20 0 CBADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H](O)C(C)(C)O)CC1 ZINC000900953817 584834995 /nfs/dbraw/zinc/83/49/95/584834995.db2.gz FYMDYZZAXJGHIS-GFCCVEGCSA-N 2 2 287.404 -0.740 20 0 CBADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H]2C[C@@H]2C(N)=O)CC1 ZINC000900955366 584835316 /nfs/dbraw/zinc/83/53/16/584835316.db2.gz PRIHPPRVXYEVIH-NWDGAFQWSA-N 2 2 282.388 -0.750 20 0 CBADLP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000901035997 584842191 /nfs/dbraw/zinc/84/21/91/584842191.db2.gz PEZWCZAISPQRBN-NFAWXSAZSA-N 2 2 297.399 -0.625 20 0 CBADLP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000901035997 584842192 /nfs/dbraw/zinc/84/21/92/584842192.db2.gz PEZWCZAISPQRBN-NFAWXSAZSA-N 2 2 297.399 -0.625 20 0 CBADLP CC[C@H](CO)[NH+]1CCN(C(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)CC1 ZINC000901147624 584852533 /nfs/dbraw/zinc/85/25/33/584852533.db2.gz RQPRNPXJXPAREG-IPYPFGDCSA-N 2 2 299.415 -0.643 20 0 CBADLP CC[C@H](CO)[NH+]1CCN(C(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)CC1 ZINC000901147624 584852534 /nfs/dbraw/zinc/85/25/34/584852534.db2.gz RQPRNPXJXPAREG-IPYPFGDCSA-N 2 2 299.415 -0.643 20 0 CBADLP C/C(=C/C(=O)NC[C@@](C)(O)C[NH+](C)C)C[NH+]1CCOCC1 ZINC000901186296 584854218 /nfs/dbraw/zinc/85/42/18/584854218.db2.gz KPIGWXPOYUOPGF-UZGISAJGSA-N 2 2 299.415 -0.306 20 0 CBADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1N[C@H]1C[NH2+]CC1(C)C ZINC000902444874 584876979 /nfs/dbraw/zinc/87/69/79/584876979.db2.gz OWBDJLVPBGHIPU-GARJFASQSA-N 2 2 255.362 -0.132 20 0 CBADLP CC(C)[NH+]1CCC(NC(=O)CO[NH+]=C(N)CO)CC1 ZINC000902536816 584878338 /nfs/dbraw/zinc/87/83/38/584878338.db2.gz PQSBKEXZDFQQRZ-UHFFFAOYSA-N 2 2 272.349 -0.534 20 0 CBADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCO[C@]12CCOC2 ZINC000903205245 584889482 /nfs/dbraw/zinc/88/94/82/584889482.db2.gz GJMKEDJEEBMLHO-YDHLFZDLSA-N 2 2 297.399 -0.136 20 0 CBADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCO[C@]12CCOC2 ZINC000903205245 584889483 /nfs/dbraw/zinc/88/94/83/584889483.db2.gz GJMKEDJEEBMLHO-YDHLFZDLSA-N 2 2 297.399 -0.136 20 0 CBADLP O=C([C@@H]1CCC[N@H+](C[C@H]2CCC[NH2+]2)C1)N1CC[NH2+]CC1 ZINC000903420915 584890103 /nfs/dbraw/zinc/89/01/03/584890103.db2.gz GEBQKYXDCJSUEC-ZIAGYGMSSA-N 3 2 280.416 -0.118 20 0 CBADLP O=C([C@@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]2)C1)N1CC[NH2+]CC1 ZINC000903420915 584890104 /nfs/dbraw/zinc/89/01/04/584890104.db2.gz GEBQKYXDCJSUEC-ZIAGYGMSSA-N 3 2 280.416 -0.118 20 0 CBADLP CCN1C(=O)[C@@H]2C[N@H+](C[C@@H]3C[NH2+]C[C@H]3C)CCN2C1=O ZINC000903441403 584890522 /nfs/dbraw/zinc/89/05/22/584890522.db2.gz QHLQVLYAJJJZII-WOPDTQHZSA-N 2 2 280.372 -0.190 20 0 CBADLP CCN1C(=O)[C@@H]2C[N@@H+](C[C@@H]3C[NH2+]C[C@H]3C)CCN2C1=O ZINC000903441403 584890523 /nfs/dbraw/zinc/89/05/23/584890523.db2.gz QHLQVLYAJJJZII-WOPDTQHZSA-N 2 2 280.372 -0.190 20 0 CBADLP COC[C@@H](C)NC(=O)NC(=O)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903466559 584891040 /nfs/dbraw/zinc/89/10/40/584891040.db2.gz VXZRWTDUNGIWBH-GHMZBOCLSA-N 2 2 298.387 -0.279 20 0 CBADLP CNC(=O)NC(=O)C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000903486039 584891435 /nfs/dbraw/zinc/89/14/35/584891435.db2.gz RQYJARYIBNJXAZ-SECBINFHSA-N 2 2 254.334 -0.294 20 0 CBADLP Cn1c(C[NH2+][C@H]2CC[NH2+]C23CCCC3)cc(=O)n(C)c1=O ZINC000903485750 584891492 /nfs/dbraw/zinc/89/14/92/584891492.db2.gz PTCIQRWVNVHBGH-LBPRGKRZSA-N 2 2 292.383 -0.152 20 0 CBADLP C[NH2+]C[C@@H]1CCCC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000903528361 584892513 /nfs/dbraw/zinc/89/25/13/584892513.db2.gz HREDUNQQTOUKNN-ZDUSSCGKSA-N 3 2 268.405 -0.118 20 0 CBADLP C[NH2+]C[C@@H]1CCCC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000903528361 584892514 /nfs/dbraw/zinc/89/25/14/584892514.db2.gz HREDUNQQTOUKNN-ZDUSSCGKSA-N 3 2 268.405 -0.118 20 0 CBADLP CN(CC1CC1)S(=O)(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000903566607 584893403 /nfs/dbraw/zinc/89/34/03/584893403.db2.gz WGCKVHAQWOJRNZ-UHFFFAOYSA-N 2 2 290.433 -0.414 20 0 CBADLP C[C@H]1CCCN1S(=O)(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000903565420 584893416 /nfs/dbraw/zinc/89/34/16/584893416.db2.gz KDHXBQHKOWNLAR-NSHDSACASA-N 2 2 290.433 -0.272 20 0 CBADLP C[C@@H]1CCCN1S(=O)(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000903565419 584893430 /nfs/dbraw/zinc/89/34/30/584893430.db2.gz KDHXBQHKOWNLAR-LLVKDONJSA-N 2 2 290.433 -0.272 20 0 CBADLP CO[C@@H](C)CS(=O)(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000903565204 584893440 /nfs/dbraw/zinc/89/34/40/584893440.db2.gz GFBJYNBEQBWQEK-JTQLQIEISA-N 2 2 279.406 -0.636 20 0 CBADLP COCC(COC)[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000903746498 584897008 /nfs/dbraw/zinc/89/70/08/584897008.db2.gz ZVHLJJKHQJXIPH-GFCCVEGCSA-N 2 2 285.388 -0.456 20 0 CBADLP COCC(COC)[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000903746498 584897009 /nfs/dbraw/zinc/89/70/09/584897009.db2.gz ZVHLJJKHQJXIPH-GFCCVEGCSA-N 2 2 285.388 -0.456 20 0 CBADLP CN(Cc1c[nH+]c[nH]1)C(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903792604 584900121 /nfs/dbraw/zinc/90/01/21/584900121.db2.gz SAWMWMXQXBZOQK-SNVBAGLBSA-N 2 2 279.344 -0.436 20 0 CBADLP CN(Cc1c[nH]c[nH+]1)C(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903792604 584900122 /nfs/dbraw/zinc/90/01/22/584900122.db2.gz SAWMWMXQXBZOQK-SNVBAGLBSA-N 2 2 279.344 -0.436 20 0 CBADLP COCCCNC(=O)C[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903818122 584900780 /nfs/dbraw/zinc/90/07/80/584900780.db2.gz XIVNYCZXYOSEMM-UHFFFAOYSA-N 2 2 299.415 -0.016 20 0 CBADLP COCCCNC(=O)C[N@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903818122 584900781 /nfs/dbraw/zinc/90/07/81/584900781.db2.gz XIVNYCZXYOSEMM-UHFFFAOYSA-N 2 2 299.415 -0.016 20 0 CBADLP O=S1(=O)C[C@H]2C[N@@H+](C[C@H]3CCC[NH2+]C3)C[C@H]2C1 ZINC000903827501 584901185 /nfs/dbraw/zinc/90/11/85/584901185.db2.gz UQDLIQNUOWWARJ-SDDRHHMPSA-N 2 2 258.387 -0.038 20 0 CBADLP O=S1(=O)C[C@H]2C[N@H+](C[C@H]3CCC[NH2+]C3)C[C@H]2C1 ZINC000903827501 584901187 /nfs/dbraw/zinc/90/11/87/584901187.db2.gz UQDLIQNUOWWARJ-SDDRHHMPSA-N 2 2 258.387 -0.038 20 0 CBADLP CC(=O)N1CCN(C(=O)C[N@@H+]2CC[C@@H]3CC[C@]32C[NH3+])CC1 ZINC000903852458 584902035 /nfs/dbraw/zinc/90/20/35/584902035.db2.gz BBXVJIZXUFWWIC-ZFWWWQNUSA-N 2 2 294.399 -0.510 20 0 CBADLP CC(=O)N1CCN(C(=O)C[N@H+]2CC[C@@H]3CC[C@]32C[NH3+])CC1 ZINC000903852458 584902036 /nfs/dbraw/zinc/90/20/36/584902036.db2.gz BBXVJIZXUFWWIC-ZFWWWQNUSA-N 2 2 294.399 -0.510 20 0 CBADLP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2CCC(=O)N1CC[NH2+]CC1 ZINC000903853077 584902053 /nfs/dbraw/zinc/90/20/53/584902053.db2.gz CYADEHDMDYWGMV-TZMCWYRMSA-N 3 2 266.389 -0.379 20 0 CBADLP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2CCC(=O)N1CC[NH2+]CC1 ZINC000903853077 584902054 /nfs/dbraw/zinc/90/20/54/584902054.db2.gz CYADEHDMDYWGMV-TZMCWYRMSA-N 3 2 266.389 -0.379 20 0 CBADLP Cn1c(C[N@@H+]2CC[C@H]3CC[C@]32C[NH3+])cc(=O)n(C)c1=O ZINC000903856066 584902060 /nfs/dbraw/zinc/90/20/60/584902060.db2.gz QFAREFMBGKDXIL-YGRLFVJLSA-N 2 2 278.356 -0.603 20 0 CBADLP Cn1c(C[N@H+]2CC[C@H]3CC[C@]32C[NH3+])cc(=O)n(C)c1=O ZINC000903856066 584902061 /nfs/dbraw/zinc/90/20/61/584902061.db2.gz QFAREFMBGKDXIL-YGRLFVJLSA-N 2 2 278.356 -0.603 20 0 CBADLP [NH3+]C[C@@]12CC[C@H]1CC[N@@H+]2CCC(=O)N1CC[NH2+]CC1 ZINC000903853073 584902113 /nfs/dbraw/zinc/90/21/13/584902113.db2.gz CYADEHDMDYWGMV-JSGCOSHPSA-N 3 2 266.389 -0.379 20 0 CBADLP [NH3+]C[C@@]12CC[C@H]1CC[N@H+]2CCC(=O)N1CC[NH2+]CC1 ZINC000903853073 584902114 /nfs/dbraw/zinc/90/21/14/584902114.db2.gz CYADEHDMDYWGMV-JSGCOSHPSA-N 3 2 266.389 -0.379 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@]23CC[NH2+]C3)CC1 ZINC000903869618 584902756 /nfs/dbraw/zinc/90/27/56/584902756.db2.gz IXCUVOFSTABFSV-OAHLLOKOSA-N 3 2 280.416 -0.022 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@]23CC[NH2+]C3)CC1 ZINC000903869618 584902758 /nfs/dbraw/zinc/90/27/58/584902758.db2.gz IXCUVOFSTABFSV-OAHLLOKOSA-N 3 2 280.416 -0.022 20 0 CBADLP CCOC(=O)[C@H]1C[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000903874644 584903182 /nfs/dbraw/zinc/90/31/82/584903182.db2.gz GMWAITTYJXEUNC-NWDGAFQWSA-N 2 2 284.356 -0.229 20 0 CBADLP CCOC(=O)[C@H]1C[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000903874644 584903183 /nfs/dbraw/zinc/90/31/83/584903183.db2.gz GMWAITTYJXEUNC-NWDGAFQWSA-N 2 2 284.356 -0.229 20 0 CBADLP CCOC(=O)[C@H]1C[N@H+](CCC(=O)N2CC[NH2+]CC2)CCO1 ZINC000903874490 584903257 /nfs/dbraw/zinc/90/32/57/584903257.db2.gz BWSDCHBGUYOHLG-GFCCVEGCSA-N 2 2 299.371 -0.928 20 0 CBADLP CCOC(=O)[C@H]1C[N@@H+](CCC(=O)N2CC[NH2+]CC2)CCO1 ZINC000903874490 584903258 /nfs/dbraw/zinc/90/32/58/584903258.db2.gz BWSDCHBGUYOHLG-GFCCVEGCSA-N 2 2 299.371 -0.928 20 0 CBADLP [NH3+][C@H](CC(F)F)CN(CCO)CC[NH+]1CCOCC1 ZINC000903885429 584904100 /nfs/dbraw/zinc/90/41/00/584904100.db2.gz HONCIWXRJHZRKY-LLVKDONJSA-N 2 2 281.347 -0.405 20 0 CBADLP CN(C[C@H]([NH3+])CC(F)F)C[C@@H](O)C[NH+]1CCOCC1 ZINC000903895407 584904217 /nfs/dbraw/zinc/90/42/17/584904217.db2.gz NIFQOGOCQJSSAG-GHMZBOCLSA-N 2 2 281.347 -0.406 20 0 CBADLP C[N@H+](C[C@H]([NH3+])CC(F)F)C[C@@H](O)CN1CCOCC1 ZINC000903895407 584904218 /nfs/dbraw/zinc/90/42/18/584904218.db2.gz NIFQOGOCQJSSAG-GHMZBOCLSA-N 2 2 281.347 -0.406 20 0 CBADLP C[N@@H+](C[C@H]([NH3+])CC(F)F)C[C@@H](O)CN1CCOCC1 ZINC000903895407 584904219 /nfs/dbraw/zinc/90/42/19/584904219.db2.gz NIFQOGOCQJSSAG-GHMZBOCLSA-N 2 2 281.347 -0.406 20 0 CBADLP c1nnn([C@H]2CCC[NH2+]C2)c1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000903906688 584904486 /nfs/dbraw/zinc/90/44/86/584904486.db2.gz XVLKWLUTYDAVBH-XQQFMLRXSA-N 3 2 276.388 -0.146 20 0 CBADLP c1nnn([C@H]2CCC[NH2+]C2)c1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000903906688 584904487 /nfs/dbraw/zinc/90/44/87/584904487.db2.gz XVLKWLUTYDAVBH-XQQFMLRXSA-N 3 2 276.388 -0.146 20 0 CBADLP Cc1c(C[C@H](C[NH3+])C[N@@H+]2C[C@H](CO)O[C@@H](C)C2)cnn1C ZINC000903912532 584904495 /nfs/dbraw/zinc/90/44/95/584904495.db2.gz GLEGZWIKTJUNEF-NJZAAPMLSA-N 2 2 296.415 -0.072 20 0 CBADLP Cc1c(C[C@H](C[NH3+])C[N@H+]2C[C@H](CO)O[C@@H](C)C2)cnn1C ZINC000903912532 584904497 /nfs/dbraw/zinc/90/44/97/584904497.db2.gz GLEGZWIKTJUNEF-NJZAAPMLSA-N 2 2 296.415 -0.072 20 0 CBADLP C[N@@H+]1CCN(Cc2cnnn2[C@H]2CCC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000903918227 584904576 /nfs/dbraw/zinc/90/45/76/584904576.db2.gz VLALRROOHOMQON-QWHCGFSZSA-N 3 2 293.419 -0.723 20 0 CBADLP C[N@H+]1CCN(Cc2cnnn2[C@H]2CCC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000903918227 584904578 /nfs/dbraw/zinc/90/45/78/584904578.db2.gz VLALRROOHOMQON-QWHCGFSZSA-N 3 2 293.419 -0.723 20 0 CBADLP Cc1c(C[C@H](C[NH3+])C[N@H+]2C[C@@H](C)O[C@@H](CO)C2)cnn1C ZINC000903912533 584904581 /nfs/dbraw/zinc/90/45/81/584904581.db2.gz GLEGZWIKTJUNEF-UXIGCNINSA-N 2 2 296.415 -0.072 20 0 CBADLP Cc1c(C[C@H](C[NH3+])C[N@@H+]2C[C@@H](C)O[C@@H](CO)C2)cnn1C ZINC000903912533 584904583 /nfs/dbraw/zinc/90/45/83/584904583.db2.gz GLEGZWIKTJUNEF-UXIGCNINSA-N 2 2 296.415 -0.072 20 0 CBADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](CC(N)=O)C1 ZINC000969798087 614663709 /nfs/dbraw/zinc/66/37/09/614663709.db2.gz RMFLLLMOAQSCGZ-WCQYABFASA-N 2 2 296.415 -0.217 20 0 CBADLP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](CC(N)=O)C1 ZINC000969798087 614663710 /nfs/dbraw/zinc/66/37/10/614663710.db2.gz RMFLLLMOAQSCGZ-WCQYABFASA-N 2 2 296.415 -0.217 20 0 CBADLP CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H]1C)C1C[NH+](CCO)C1 ZINC000951750027 614685433 /nfs/dbraw/zinc/68/54/33/614685433.db2.gz NPFINCJDULHZBG-AAEUAGOBSA-N 2 2 269.389 -0.291 20 0 CBADLP CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H]1C)C1C[NH+](CCO)C1 ZINC000951750027 614685436 /nfs/dbraw/zinc/68/54/36/614685436.db2.gz NPFINCJDULHZBG-AAEUAGOBSA-N 2 2 269.389 -0.291 20 0 CBADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCO)C1 ZINC000969465149 615003383 /nfs/dbraw/zinc/00/33/83/615003383.db2.gz LWZPWYKXQHKMNC-KGLIPLIRSA-N 2 2 299.415 -0.330 20 0 CBADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCO)C1 ZINC000969465149 615003384 /nfs/dbraw/zinc/00/33/84/615003384.db2.gz LWZPWYKXQHKMNC-KGLIPLIRSA-N 2 2 299.415 -0.330 20 0 CBADLP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CC(N)=O)C1 ZINC000970928047 615114858 /nfs/dbraw/zinc/11/48/58/615114858.db2.gz IGEIOVLKQALUBL-AAEUAGOBSA-N 2 2 296.415 -0.217 20 0 CBADLP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CC(N)=O)C1 ZINC000970928047 615114859 /nfs/dbraw/zinc/11/48/59/615114859.db2.gz IGEIOVLKQALUBL-AAEUAGOBSA-N 2 2 296.415 -0.217 20 0 CBADLP CC[C@@H](C(=O)N1CCC[N@@H+]([C@@H]2CCNC2=O)CC1)[NH+](C)C ZINC000981977094 615370433 /nfs/dbraw/zinc/37/04/33/615370433.db2.gz WAIWGPSYKROMAR-QWHCGFSZSA-N 2 2 296.415 -0.251 20 0 CBADLP CC[C@@H](C(=O)N1CCC[N@H+]([C@@H]2CCNC2=O)CC1)[NH+](C)C ZINC000981977094 615370434 /nfs/dbraw/zinc/37/04/34/615370434.db2.gz WAIWGPSYKROMAR-QWHCGFSZSA-N 2 2 296.415 -0.251 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000972426222 615392197 /nfs/dbraw/zinc/39/21/97/615392197.db2.gz KXDOLBNVJLFIGH-NEPJUHHUSA-N 2 2 293.371 -0.251 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000972426222 615392199 /nfs/dbraw/zinc/39/21/99/615392199.db2.gz KXDOLBNVJLFIGH-NEPJUHHUSA-N 2 2 293.371 -0.251 20 0 CBADLP CC[C@@H]([NH2+][C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1)C(N)=O ZINC000968535131 615538026 /nfs/dbraw/zinc/53/80/26/615538026.db2.gz UITYADMGJBVDEQ-GHMZBOCLSA-N 2 2 293.371 -0.203 20 0 CBADLP CC[C@H](C(=O)N1CCC[N@@H+]([C@H](C)C(=O)NC)CC1)[NH+](C)C ZINC000981439387 615600808 /nfs/dbraw/zinc/60/08/08/615600808.db2.gz DMRFTLICJCFKKK-CHWSQXEVSA-N 2 2 298.431 -0.005 20 0 CBADLP CC[C@H](C(=O)N1CCC[N@H+]([C@H](C)C(=O)NC)CC1)[NH+](C)C ZINC000981439387 615600809 /nfs/dbraw/zinc/60/08/09/615600809.db2.gz DMRFTLICJCFKKK-CHWSQXEVSA-N 2 2 298.431 -0.005 20 0 CBADLP CC[C@H]([NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1)C(N)=O ZINC000970482052 615822071 /nfs/dbraw/zinc/82/20/71/615822071.db2.gz OLDPVSUJWXICCY-PWSUYJOCSA-N 2 2 293.371 -0.583 20 0 CBADLP C[NH+](C)Cc1cc(C(=O)N2CC[C@@H]([N@H+](C)CCO)C2)no1 ZINC000971833195 615953107 /nfs/dbraw/zinc/95/31/07/615953107.db2.gz SCEORAINMTVMLC-LLVKDONJSA-N 2 2 296.371 -0.125 20 0 CBADLP C[NH+](C)Cc1cc(C(=O)N2CC[C@@H]([N@@H+](C)CCO)C2)no1 ZINC000971833195 615953108 /nfs/dbraw/zinc/95/31/08/615953108.db2.gz SCEORAINMTVMLC-LLVKDONJSA-N 2 2 296.371 -0.125 20 0 CBADLP C[NH+](C)[C@H](C(=O)N1CCC[N@H+](CC(N)=O)CC1)C1CC1 ZINC000981333110 615987897 /nfs/dbraw/zinc/98/78/97/615987897.db2.gz JZHCLYOZODZICM-ZDUSSCGKSA-N 2 2 282.388 -0.654 20 0 CBADLP C[NH+](C)[C@H](C(=O)N1CCC[N@@H+](CC(N)=O)CC1)C1CC1 ZINC000981333110 615987898 /nfs/dbraw/zinc/98/78/98/615987898.db2.gz JZHCLYOZODZICM-ZDUSSCGKSA-N 2 2 282.388 -0.654 20 0 CBADLP C[N@H+](CCO)[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000971433523 616109924 /nfs/dbraw/zinc/10/99/24/616109924.db2.gz RJHPBGHRTCMUFR-LLVKDONJSA-N 2 2 266.345 -0.133 20 0 CBADLP C[N@@H+](CCO)[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000971433523 616109926 /nfs/dbraw/zinc/10/99/26/616109926.db2.gz RJHPBGHRTCMUFR-LLVKDONJSA-N 2 2 266.345 -0.133 20 0 CBADLP C[N@H+](CCO)[C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000971818472 616113194 /nfs/dbraw/zinc/11/31/94/616113194.db2.gz ORHBSQOXNPOYMG-OCCSQVGLSA-N 2 2 292.383 -0.030 20 0 CBADLP C[N@@H+](CCO)[C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000971818472 616113195 /nfs/dbraw/zinc/11/31/95/616113195.db2.gz ORHBSQOXNPOYMG-OCCSQVGLSA-N 2 2 292.383 -0.030 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[NH+]1CC(N)=O ZINC000968780235 616211076 /nfs/dbraw/zinc/21/10/76/616211076.db2.gz BETDDQDBLYFUAJ-OLZOCXBDSA-N 2 2 296.415 -0.073 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[NH+]1CC(N)=O ZINC000968780235 616211077 /nfs/dbraw/zinc/21/10/77/616211077.db2.gz BETDDQDBLYFUAJ-OLZOCXBDSA-N 2 2 296.415 -0.073 20 0 CBADLP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1CC(N)=O ZINC000968780235 616211078 /nfs/dbraw/zinc/21/10/78/616211078.db2.gz BETDDQDBLYFUAJ-OLZOCXBDSA-N 2 2 296.415 -0.073 20 0 CBADLP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[N@H+]1CC(N)=O ZINC000968780235 616211079 /nfs/dbraw/zinc/21/10/79/616211079.db2.gz BETDDQDBLYFUAJ-OLZOCXBDSA-N 2 2 296.415 -0.073 20 0 CBADLP COCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000969442518 616314434 /nfs/dbraw/zinc/31/44/34/616314434.db2.gz RGHAWSDBQZCBFC-YPMHNXCESA-N 2 2 285.388 -0.600 20 0 CBADLP COCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000969442518 616314437 /nfs/dbraw/zinc/31/44/37/616314437.db2.gz RGHAWSDBQZCBFC-YPMHNXCESA-N 2 2 285.388 -0.600 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000949840633 616366026 /nfs/dbraw/zinc/36/60/26/616366026.db2.gz IRARUGZUSVXODV-CQSZACIVSA-N 2 2 299.415 -0.114 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000949840633 616366031 /nfs/dbraw/zinc/36/60/31/616366031.db2.gz IRARUGZUSVXODV-CQSZACIVSA-N 2 2 299.415 -0.114 20 0 CBADLP CN1CC[C@H]([NH2+][C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)C1=O ZINC000970857822 616417495 /nfs/dbraw/zinc/41/74/95/616417495.db2.gz LIAAHMFUJQUZBR-NEPJUHHUSA-N 2 2 291.355 -0.696 20 0 CBADLP CNC(=O)C[NH+]1CC([C@H](C)NC(=O)C2CC[NH+](C)CC2)C1 ZINC000970361419 616598369 /nfs/dbraw/zinc/59/83/69/616598369.db2.gz NSGLVEYHOOYYAX-NSHDSACASA-N 2 2 296.415 -0.489 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC000948085837 616614279 /nfs/dbraw/zinc/61/42/79/616614279.db2.gz DPIUJOPDDDMJHM-VXGBXAGGSA-N 2 2 293.371 -0.402 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC000948085837 616614281 /nfs/dbraw/zinc/61/42/81/616614281.db2.gz DPIUJOPDDDMJHM-VXGBXAGGSA-N 2 2 293.371 -0.402 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000311025519 656145195 /nfs/dbraw/zinc/14/51/95/656145195.db2.gz MLGDABFEZULGIQ-UPJWGTAASA-N 3 2 259.394 -0.405 20 0 CBADLP C[C@H](C1CC1)N(C)S(=O)(=O)N1CC[NH2+]CC[NH2+]CC1 ZINC000923690492 658396219 /nfs/dbraw/zinc/39/62/19/658396219.db2.gz BFRJEFCLJXMPRX-LLVKDONJSA-N 2 2 290.433 -0.544 20 0 CBADLP CCN(CC)S(=O)(=O)N1CC[NH2+]CC[NH2+]CC1 ZINC000923690197 658396404 /nfs/dbraw/zinc/39/64/04/658396404.db2.gz BUGZBURZFHRHBK-UHFFFAOYSA-N 2 2 264.395 -0.932 20 0 CBADLP CC(C)CN(C)S(=O)(=O)N1CC[NH2+]CC[NH2+]CC1 ZINC000923690849 658397005 /nfs/dbraw/zinc/39/70/05/658397005.db2.gz IHNYLWDAOYYPHH-UHFFFAOYSA-N 2 2 278.422 -0.686 20 0 CBADLP O=S(=O)([C@H]1CCC[NH2+]C1)N1CC[NH2+]C[C@H]1C(F)F ZINC000923641758 658371779 /nfs/dbraw/zinc/37/17/79/658371779.db2.gz XYLOTIBWCANEDW-IUCAKERBSA-N 2 2 283.344 -0.393 20 0 CBADLP O=S(=O)(C1C[NH2+]C1)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000923644378 658372077 /nfs/dbraw/zinc/37/20/77/658372077.db2.gz JDENPXCVWJTQCJ-GFCCVEGCSA-N 2 2 282.369 -0.671 20 0 CBADLP CC[N@@H+]1CC[C@H](N2C(=O)N[C@@H](Cc3c[nH]c[nH+]3)C2=O)C1 ZINC000925321769 658825160 /nfs/dbraw/zinc/82/51/60/658825160.db2.gz NPSBLHDOCPDLKG-QWRGUYRKSA-N 2 2 277.328 -0.033 20 0 CBADLP CC[N@H+]1CC[C@H](N2C(=O)N[C@@H](Cc3c[nH]c[nH+]3)C2=O)C1 ZINC000925321769 658825164 /nfs/dbraw/zinc/82/51/64/658825164.db2.gz NPSBLHDOCPDLKG-QWRGUYRKSA-N 2 2 277.328 -0.033 20 0 CBADLP CC[N@@H+]1CC[C@H](N2C(=O)N[C@@H](Cc3c[nH+]c[nH]3)C2=O)C1 ZINC000925321769 658825166 /nfs/dbraw/zinc/82/51/66/658825166.db2.gz NPSBLHDOCPDLKG-QWRGUYRKSA-N 2 2 277.328 -0.033 20 0 CBADLP CC[N@H+]1CC[C@H](N2C(=O)N[C@@H](Cc3c[nH+]c[nH]3)C2=O)C1 ZINC000925321769 658825173 /nfs/dbraw/zinc/82/51/73/658825173.db2.gz NPSBLHDOCPDLKG-QWRGUYRKSA-N 2 2 277.328 -0.033 20 0 CBADLP C[C@@H]([NH2+]CC[C@H]1CNCCS1(=O)=O)[C@@H]1CCCC[NH2+]1 ZINC000925790037 658872168 /nfs/dbraw/zinc/87/21/68/658872168.db2.gz FGXWARPAEWGDJS-AGIUHOORSA-N 2 2 289.445 -0.117 20 0 CBADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC[C@H]1CNCCS1(=O)=O ZINC000925792249 658872196 /nfs/dbraw/zinc/87/21/96/658872196.db2.gz VKVSBOPOUPRYGN-SDDRHHMPSA-N 2 2 275.418 -0.507 20 0 CBADLP C[C@H]([NH2+]CC[C@H]1CNCCS1(=O)=O)[C@H]1CCCC[NH2+]1 ZINC000925788000 658872309 /nfs/dbraw/zinc/87/23/09/658872309.db2.gz FGXWARPAEWGDJS-RWMBFGLXSA-N 2 2 289.445 -0.117 20 0 CBADLP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@H]1C(=O)NCC1(C)C ZINC000931655301 659503422 /nfs/dbraw/zinc/50/34/22/659503422.db2.gz PUJDDOAOYQRHRJ-GHMZBOCLSA-N 2 2 257.378 -0.198 20 0 CBADLP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1C(=O)NCC1(C)C ZINC000931655301 659503429 /nfs/dbraw/zinc/50/34/29/659503429.db2.gz PUJDDOAOYQRHRJ-GHMZBOCLSA-N 2 2 257.378 -0.198 20 0 CBADLP COC[C@H]1COCC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000933337936 659706123 /nfs/dbraw/zinc/70/61/23/659706123.db2.gz XDURGDDDFHPSIF-ZDUSSCGKSA-N 2 2 285.388 -0.502 20 0 CBADLP COC[C@H]1COCC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000933337936 659706126 /nfs/dbraw/zinc/70/61/26/659706126.db2.gz XDURGDDDFHPSIF-ZDUSSCGKSA-N 2 2 285.388 -0.502 20 0 CBADLP CC[NH2+]CC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000044649871 656010582 /nfs/dbraw/zinc/01/05/82/656010582.db2.gz WVRXCNXVFXIQEL-LBPRGKRZSA-N 2 2 255.362 -0.081 20 0 CBADLP Cc1cc(N2CCC[N@H+](CC(N)=O)CC2)nc(N)[nH+]1 ZINC000049321092 656019407 /nfs/dbraw/zinc/01/94/07/656019407.db2.gz QKFCNUXCSLEJDB-UHFFFAOYSA-N 2 2 264.333 -0.635 20 0 CBADLP Cc1cc(N2CCC[N@@H+](CC(N)=O)CC2)nc(N)[nH+]1 ZINC000049321092 656019410 /nfs/dbraw/zinc/01/94/10/656019410.db2.gz QKFCNUXCSLEJDB-UHFFFAOYSA-N 2 2 264.333 -0.635 20 0 CBADLP CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CCC[NH2+]CC2)C1 ZINC000093695705 656060828 /nfs/dbraw/zinc/06/08/28/656060828.db2.gz DOHUTXCRNCXPCV-GFCCVEGCSA-N 2 2 275.418 -0.047 20 0 CBADLP CS(=O)(=O)N1CCC[C@H](C[N@H+]2CCC[NH2+]CC2)C1 ZINC000093695705 656060830 /nfs/dbraw/zinc/06/08/30/656060830.db2.gz DOHUTXCRNCXPCV-GFCCVEGCSA-N 2 2 275.418 -0.047 20 0 CBADLP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)CCO1 ZINC000094341829 656061342 /nfs/dbraw/zinc/06/13/42/656061342.db2.gz SELQKAURWXURIX-TUAOUCFPSA-N 2 2 255.362 -0.097 20 0 CBADLP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)CCO1 ZINC000094341829 656061345 /nfs/dbraw/zinc/06/13/45/656061345.db2.gz SELQKAURWXURIX-TUAOUCFPSA-N 2 2 255.362 -0.097 20 0 CBADLP C[C@@H]1CN(C(=O)c2n[nH]c3c2C[NH2+]CC3)C[C@H](C)[NH2+]1 ZINC000188185565 656096444 /nfs/dbraw/zinc/09/64/44/656096444.db2.gz ROFKMEVEYDOYNA-DTORHVGOSA-N 2 2 263.345 -0.122 20 0 CBADLP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)CCO1 ZINC000227072091 656108057 /nfs/dbraw/zinc/10/80/57/656108057.db2.gz SELQKAURWXURIX-QJPTWQEYSA-N 2 2 255.362 -0.097 20 0 CBADLP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)CCO1 ZINC000227072091 656108059 /nfs/dbraw/zinc/10/80/59/656108059.db2.gz SELQKAURWXURIX-QJPTWQEYSA-N 2 2 255.362 -0.097 20 0 CBADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@@H](C)[NH3+])CC1 ZINC000261703874 656125846 /nfs/dbraw/zinc/12/58/46/656125846.db2.gz CVXGNQFSQOQQFU-LLVKDONJSA-N 2 2 270.377 -0.606 20 0 CBADLP CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@@H](C)[NH3+])CC1 ZINC000261703874 656125847 /nfs/dbraw/zinc/12/58/47/656125847.db2.gz CVXGNQFSQOQQFU-LLVKDONJSA-N 2 2 270.377 -0.606 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000311025516 656144755 /nfs/dbraw/zinc/14/47/55/656144755.db2.gz MLGDABFEZULGIQ-AVGNSLFASA-N 3 2 259.394 -0.405 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000311025516 656144758 /nfs/dbraw/zinc/14/47/58/656144758.db2.gz MLGDABFEZULGIQ-AVGNSLFASA-N 3 2 259.394 -0.405 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000311025516 656144760 /nfs/dbraw/zinc/14/47/60/656144760.db2.gz MLGDABFEZULGIQ-AVGNSLFASA-N 3 2 259.394 -0.405 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000311025516 656144762 /nfs/dbraw/zinc/14/47/62/656144762.db2.gz MLGDABFEZULGIQ-AVGNSLFASA-N 3 2 259.394 -0.405 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000311025519 656145188 /nfs/dbraw/zinc/14/51/88/656145188.db2.gz MLGDABFEZULGIQ-UPJWGTAASA-N 3 2 259.394 -0.405 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000311025519 656145189 /nfs/dbraw/zinc/14/51/89/656145189.db2.gz MLGDABFEZULGIQ-UPJWGTAASA-N 3 2 259.394 -0.405 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000311025519 656145193 /nfs/dbraw/zinc/14/51/93/656145193.db2.gz MLGDABFEZULGIQ-UPJWGTAASA-N 3 2 259.394 -0.405 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCOC[C@H](C)C1 ZINC000311120968 656145243 /nfs/dbraw/zinc/14/52/43/656145243.db2.gz OQIBBYBSFDFQJC-OLZOCXBDSA-N 2 2 260.378 -0.106 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCOC[C@H](C)C1 ZINC000311120968 656145245 /nfs/dbraw/zinc/14/52/45/656145245.db2.gz OQIBBYBSFDFQJC-OLZOCXBDSA-N 2 2 260.378 -0.106 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCOC[C@H](C)C1 ZINC000311120968 656145246 /nfs/dbraw/zinc/14/52/46/656145246.db2.gz OQIBBYBSFDFQJC-OLZOCXBDSA-N 2 2 260.378 -0.106 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCOC[C@H](C)C1 ZINC000311120968 656145249 /nfs/dbraw/zinc/14/52/49/656145249.db2.gz OQIBBYBSFDFQJC-OLZOCXBDSA-N 2 2 260.378 -0.106 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000311752067 656146373 /nfs/dbraw/zinc/14/63/73/656146373.db2.gz VBYIZVACTFDCOD-IHRRRGAJSA-N 3 2 273.421 -0.015 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000311752067 656146374 /nfs/dbraw/zinc/14/63/74/656146374.db2.gz VBYIZVACTFDCOD-IHRRRGAJSA-N 3 2 273.421 -0.015 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000311752067 656146375 /nfs/dbraw/zinc/14/63/75/656146375.db2.gz VBYIZVACTFDCOD-IHRRRGAJSA-N 3 2 273.421 -0.015 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000311752067 656146376 /nfs/dbraw/zinc/14/63/76/656146376.db2.gz VBYIZVACTFDCOD-IHRRRGAJSA-N 3 2 273.421 -0.015 20 0 CBADLP C[C@@H]1OCC[NH2+][C@@H]1C(=O)NCCC[NH+]1CCOCC1 ZINC000328355980 656149115 /nfs/dbraw/zinc/14/91/15/656149115.db2.gz OEOGVKDZIAHHOG-RYUDHWBXSA-N 2 2 271.361 -0.798 20 0 CBADLP C[NH+](C)C[C@H](N)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000702393433 656180569 /nfs/dbraw/zinc/18/05/69/656180569.db2.gz ZPPVSZFMCLIXIE-LBPRGKRZSA-N 2 2 277.372 -0.381 20 0 CBADLP C[NH2+]CCOCC[N@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000706611067 656188062 /nfs/dbraw/zinc/18/80/62/656188062.db2.gz HSRPNGKQSBARFE-ZDUSSCGKSA-N 3 2 259.394 -0.389 20 0 CBADLP C[NH2+]CCOCC[N@@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000706611067 656188065 /nfs/dbraw/zinc/18/80/65/656188065.db2.gz HSRPNGKQSBARFE-ZDUSSCGKSA-N 3 2 259.394 -0.389 20 0 CBADLP O=C(CCn1cc[nH+]c1)N1CCC[C@H]([NH2+]CCO)C1 ZINC000708551423 656193300 /nfs/dbraw/zinc/19/33/00/656193300.db2.gz CNEIUQKKJHNPSX-LBPRGKRZSA-N 2 2 266.345 -0.154 20 0 CBADLP CN(C)S(=O)(=O)CC[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000709827377 656196506 /nfs/dbraw/zinc/19/65/06/656196506.db2.gz KNGLOIJQZQZQRI-LBPRGKRZSA-N 2 2 275.418 -0.047 20 0 CBADLP CN(C)S(=O)(=O)CC[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000709827377 656196507 /nfs/dbraw/zinc/19/65/07/656196507.db2.gz KNGLOIJQZQZQRI-LBPRGKRZSA-N 2 2 275.418 -0.047 20 0 CBADLP CC1(C)CC[NH2+]CC[N@@H+]1CCN1C(=O)CNC1=O ZINC000712564174 656210414 /nfs/dbraw/zinc/21/04/14/656210414.db2.gz CFMFHSJUMWJAFJ-UHFFFAOYSA-N 2 2 254.334 -0.388 20 0 CBADLP CC1(C)CC[NH2+]CC[N@H+]1CCN1C(=O)CNC1=O ZINC000712564174 656210417 /nfs/dbraw/zinc/21/04/17/656210417.db2.gz CFMFHSJUMWJAFJ-UHFFFAOYSA-N 2 2 254.334 -0.388 20 0 CBADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H](N)CC[NH+](C)C ZINC000877432664 656247635 /nfs/dbraw/zinc/24/76/35/656247635.db2.gz DZZINEOZOCVVOO-OLZOCXBDSA-N 2 2 286.420 -0.508 20 0 CBADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H](N)CC[NH+](C)C ZINC000877432664 656247640 /nfs/dbraw/zinc/24/76/40/656247640.db2.gz DZZINEOZOCVVOO-OLZOCXBDSA-N 2 2 286.420 -0.508 20 0 CBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000884427466 656253150 /nfs/dbraw/zinc/25/31/50/656253150.db2.gz XLHRMDNVZNTSDL-STQMWFEESA-N 2 2 299.415 -0.617 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000884638679 656253505 /nfs/dbraw/zinc/25/35/05/656253505.db2.gz FUTKCFFPEIGJBQ-MXWKQRLJSA-N 2 2 279.344 -0.664 20 0 CBADLP CCN(C(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1)[C@@H]1CC[NH2+]C1 ZINC000884639478 656253608 /nfs/dbraw/zinc/25/36/08/656253608.db2.gz YVVHGJKDCCIRMX-VXGBXAGGSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884638637 656253663 /nfs/dbraw/zinc/25/36/63/656253663.db2.gz DSEFBASDDXJSGK-UTUOFQBUSA-N 2 2 291.355 -0.649 20 0 CBADLP [NH3+]C[C@H]1CCCCN1C(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000884652493 656254210 /nfs/dbraw/zinc/25/42/10/656254210.db2.gz VEZUBVRNFYVZQQ-GFCCVEGCSA-N 2 2 293.371 -0.271 20 0 CBADLP [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000884652494 656254251 /nfs/dbraw/zinc/25/42/51/656254251.db2.gz VEZUBVRNFYVZQQ-LBPRGKRZSA-N 2 2 293.371 -0.271 20 0 CBADLP C[C@@H](NC(=O)CC[NH+]1CCOCC1)[C@@H]1C[N@H+](C)CCN1C ZINC000896564597 656289288 /nfs/dbraw/zinc/28/92/88/656289288.db2.gz QRFOVTFTVZQSJF-KGLIPLIRSA-N 2 2 298.431 -0.541 20 0 CBADLP C[C@@H](NC(=O)CC[NH+]1CCOCC1)[C@@H]1C[N@@H+](C)CCN1C ZINC000896564597 656289291 /nfs/dbraw/zinc/28/92/91/656289291.db2.gz QRFOVTFTVZQSJF-KGLIPLIRSA-N 2 2 298.431 -0.541 20 0 CBADLP C[C@@H]1CN(C(=O)[C@]2(C)C[C@H](O)C[NH+]2C)CC[N@@H+]1C ZINC000900846585 656313425 /nfs/dbraw/zinc/31/34/25/656313425.db2.gz IGIFQSWEZRGSTH-MDZLAQPJSA-N 2 2 255.362 -0.396 20 0 CBADLP C[C@@H]1CN(C(=O)[C@]2(C)C[C@H](O)C[NH+]2C)CC[N@H+]1C ZINC000900846585 656313426 /nfs/dbraw/zinc/31/34/26/656313426.db2.gz IGIFQSWEZRGSTH-MDZLAQPJSA-N 2 2 255.362 -0.396 20 0 CBADLP C[C@@H]1CN(C(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)CC[NH+]1C ZINC000900846585 656313428 /nfs/dbraw/zinc/31/34/28/656313428.db2.gz IGIFQSWEZRGSTH-MDZLAQPJSA-N 2 2 255.362 -0.396 20 0 CBADLP C[C@@H]1CN(C(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)CC[NH+]1C ZINC000900846585 656313429 /nfs/dbraw/zinc/31/34/29/656313429.db2.gz IGIFQSWEZRGSTH-MDZLAQPJSA-N 2 2 255.362 -0.396 20 0 CBADLP Nc1ccc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)nn1 ZINC000904351027 656324870 /nfs/dbraw/zinc/32/48/70/656324870.db2.gz SOZOFMDUIHDISX-LBPRGKRZSA-N 2 2 262.361 -0.462 20 0 CBADLP CNS(=O)(=O)[C@@H]1CC[N@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000904329450 656324936 /nfs/dbraw/zinc/32/49/36/656324936.db2.gz ZDFWHVMBAQCHQI-NEPJUHHUSA-N 2 2 275.418 0.000 20 0 CBADLP CNS(=O)(=O)[C@@H]1CC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000904329450 656324938 /nfs/dbraw/zinc/32/49/38/656324938.db2.gz ZDFWHVMBAQCHQI-NEPJUHHUSA-N 2 2 275.418 0.000 20 0 CBADLP C[C@]1(C[N@@H+]2CC[C@@H](S(N)(=O)=O)C2)CCC[NH2+]C1 ZINC000904338251 656324985 /nfs/dbraw/zinc/32/49/85/656324985.db2.gz PQOAGQNHSHVVLT-MNOVXSKESA-N 2 2 261.391 -0.261 20 0 CBADLP C[C@]1(C[N@H+]2CC[C@@H](S(N)(=O)=O)C2)CCC[NH2+]C1 ZINC000904338251 656324990 /nfs/dbraw/zinc/32/49/90/656324990.db2.gz PQOAGQNHSHVVLT-MNOVXSKESA-N 2 2 261.391 -0.261 20 0 CBADLP COC(=O)C[N@H+](CCN1CC[NH+](C)CC1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904346755 656325006 /nfs/dbraw/zinc/32/50/06/656325006.db2.gz WPHUCZYZMNXPOQ-OKILXGFUSA-N 3 2 298.431 -0.554 20 0 CBADLP COC(=O)C[N@@H+](CCN1CC[NH+](C)CC1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904346755 656325009 /nfs/dbraw/zinc/32/50/09/656325009.db2.gz WPHUCZYZMNXPOQ-OKILXGFUSA-N 3 2 298.431 -0.554 20 0 CBADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CC[C@H](CS(N)(=O)=O)C1 ZINC000904428500 656326643 /nfs/dbraw/zinc/32/66/43/656326643.db2.gz MSPVAFQCHKSLMA-QWRGUYRKSA-N 2 2 263.407 -0.030 20 0 CBADLP CC(C)C[C@H]([NH3+])C[N@H+]1CC[C@H](CS(N)(=O)=O)C1 ZINC000904428500 656326647 /nfs/dbraw/zinc/32/66/47/656326647.db2.gz MSPVAFQCHKSLMA-QWRGUYRKSA-N 2 2 263.407 -0.030 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[C@@]32C[NH3+])CC1 ZINC000904998272 656331733 /nfs/dbraw/zinc/33/17/33/656331733.db2.gz CJVULZJAFBOXCC-SWLSCSKDSA-N 2 2 294.399 -0.510 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@]32C[NH3+])CC1 ZINC000904998270 656331923 /nfs/dbraw/zinc/33/19/23/656331923.db2.gz CJVULZJAFBOXCC-DOMZBBRYSA-N 2 2 294.399 -0.510 20 0 CBADLP C[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@]32C[NH3+])CC1 ZINC000905001585 656332427 /nfs/dbraw/zinc/33/24/27/656332427.db2.gz QBPHDCQMDVBDRX-BXUZGUMPSA-N 2 2 280.372 -0.900 20 0 CBADLP O[C@H](C[NH2+][C@@H]1CC[N@H+](CC2CC2)C1)C[C@@]1(O)CCOC1 ZINC000905102580 656338978 /nfs/dbraw/zinc/33/89/78/656338978.db2.gz UFASDRDRTLQIAW-ILXRZTDVSA-N 2 2 284.400 -0.037 20 0 CBADLP O[C@H](C[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)C[C@@]1(O)CCOC1 ZINC000905102580 656338981 /nfs/dbraw/zinc/33/89/81/656338981.db2.gz UFASDRDRTLQIAW-ILXRZTDVSA-N 2 2 284.400 -0.037 20 0 CBADLP O=S(=O)(CC1CC[NH2+]CC1)N1CC[NH2+]C[C@@H]1C(F)F ZINC000905343016 656350501 /nfs/dbraw/zinc/35/05/01/656350501.db2.gz FJDLZNLWQKYQLN-SNVBAGLBSA-N 2 2 297.371 -0.145 20 0 CBADLP OCCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](O)C1(O)CCC1 ZINC000905367642 656354375 /nfs/dbraw/zinc/35/43/75/656354375.db2.gz LFZSPHHVUKZCOM-STQMWFEESA-N 2 2 272.389 -0.301 20 0 CBADLP OCCC[N@H+]1CCC[C@H]1C[NH2+]C[C@H](O)C1(O)CCC1 ZINC000905367642 656354378 /nfs/dbraw/zinc/35/43/78/656354378.db2.gz LFZSPHHVUKZCOM-STQMWFEESA-N 2 2 272.389 -0.301 20 0 CBADLP NC(=O)CC[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000905447500 656357559 /nfs/dbraw/zinc/35/75/59/656357559.db2.gz RVFKLZGNXHTCBO-ZDUSSCGKSA-N 2 2 284.404 -0.752 20 0 CBADLP CCO[C@@H](C[NH2+]C[C@@H](O)C1(O)CCOCC1)C[NH+](C)C ZINC000905575175 656362576 /nfs/dbraw/zinc/36/25/76/656362576.db2.gz HFKRDRQPYVARDE-QWHCGFSZSA-N 2 2 290.404 -0.555 20 0 CBADLP Cn1nccc1[C@H](O)C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000905627217 656363745 /nfs/dbraw/zinc/36/37/45/656363745.db2.gz TXOGFYQKIXTQCF-WCQYABFASA-N 2 2 268.361 -0.500 20 0 CBADLP Nc1ccc(Cn2cc(CN3CC[NH2+]CC3)nn2)c[nH+]1 ZINC000905816165 656368530 /nfs/dbraw/zinc/36/85/30/656368530.db2.gz NQJICYRQBXNPNI-UHFFFAOYSA-N 2 2 273.344 -0.291 20 0 CBADLP [NH3+][C@H]1C[C@H]([NH2+]Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000906518497 656389911 /nfs/dbraw/zinc/38/99/11/656389911.db2.gz QHRKIPKMFHDBRX-DCAQKATOSA-N 3 2 250.350 -0.218 20 0 CBADLP CC1(C)CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1[NH2+]CCO ZINC000996459096 656414541 /nfs/dbraw/zinc/41/45/41/656414541.db2.gz ZTJUXXJSPNAGPT-JTQLQIEISA-N 2 2 266.345 -0.229 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]([NH2+]CC(N)=O)C(C)(C)C1 ZINC000996513094 656416012 /nfs/dbraw/zinc/41/60/12/656416012.db2.gz FTCJYVSZHMEVGG-LLVKDONJSA-N 2 2 293.371 -0.726 20 0 CBADLP C[C@H](NC(=O)C1CN(C)CC[N@H+](C)C1)[C@@H]1C[NH+](C)CCO1 ZINC000907071393 656420637 /nfs/dbraw/zinc/42/06/37/656420637.db2.gz QMTZPAFJERGRAT-JSGCOSHPSA-N 2 2 298.431 -0.685 20 0 CBADLP C[C@H](NC(=O)C1CN(C)CC[N@@H+](C)C1)[C@@H]1C[NH+](C)CCO1 ZINC000907071393 656420645 /nfs/dbraw/zinc/42/06/45/656420645.db2.gz QMTZPAFJERGRAT-JSGCOSHPSA-N 2 2 298.431 -0.685 20 0 CBADLP C[C@H](NC(=O)C1CN(C)CC[NH+](C)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000907071393 656420677 /nfs/dbraw/zinc/42/06/77/656420677.db2.gz QMTZPAFJERGRAT-JSGCOSHPSA-N 2 2 298.431 -0.685 20 0 CBADLP C[C@H](NC(=O)C1CN(C)CC[NH+](C)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000907071393 656420681 /nfs/dbraw/zinc/42/06/81/656420681.db2.gz QMTZPAFJERGRAT-JSGCOSHPSA-N 2 2 298.431 -0.685 20 0 CBADLP C[C@H](CC(=O)N1CCC([NH2+]CC(N)=O)CC1)n1cc[nH+]c1 ZINC000997045941 656464437 /nfs/dbraw/zinc/46/44/37/656464437.db2.gz OMFOYXDRPKUXEG-LLVKDONJSA-N 2 2 293.371 -0.100 20 0 CBADLP CC[C@H]([NH2+]C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1)C(N)=O ZINC000997040671 656464693 /nfs/dbraw/zinc/46/46/93/656464693.db2.gz IICTWLBGIRTDNT-LBPRGKRZSA-N 2 2 293.371 -0.203 20 0 CBADLP C[C@@H](O)C[NH2+]C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000997117028 656467528 /nfs/dbraw/zinc/46/75/28/656467528.db2.gz BNELOLMHRVPGSR-SNVBAGLBSA-N 2 2 266.345 -0.086 20 0 CBADLP CC[N@H+](CCO)CCNC(=O)CNc1cccc[nH+]1 ZINC000907440914 656506820 /nfs/dbraw/zinc/50/68/20/656506820.db2.gz RWSOJNHAOLQNIT-UHFFFAOYSA-N 2 2 266.345 -0.076 20 0 CBADLP CC[N@@H+](CCO)CCNC(=O)CNc1cccc[nH+]1 ZINC000907440914 656506822 /nfs/dbraw/zinc/50/68/22/656506822.db2.gz RWSOJNHAOLQNIT-UHFFFAOYSA-N 2 2 266.345 -0.076 20 0 CBADLP CC(C)[NH+]1CC(NC(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)C1 ZINC000907519437 656519761 /nfs/dbraw/zinc/51/97/61/656519761.db2.gz JOIMKROAEXIXNJ-DGCLKSJQSA-N 2 2 255.362 -0.350 20 0 CBADLP CC(C)[NH+]1CC(NC(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)C1 ZINC000907519437 656519764 /nfs/dbraw/zinc/51/97/64/656519764.db2.gz JOIMKROAEXIXNJ-DGCLKSJQSA-N 2 2 255.362 -0.350 20 0 CBADLP CC(C)[NH+]1CC(NC(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)C1 ZINC000907519435 656519981 /nfs/dbraw/zinc/51/99/81/656519981.db2.gz JOIMKROAEXIXNJ-AAEUAGOBSA-N 2 2 255.362 -0.350 20 0 CBADLP CC(C)[NH+]1CC(NC(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)C1 ZINC000907519435 656519983 /nfs/dbraw/zinc/51/99/83/656519983.db2.gz JOIMKROAEXIXNJ-AAEUAGOBSA-N 2 2 255.362 -0.350 20 0 CBADLP C[NH+](C)C[C@@]1(O)CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000907782575 656575240 /nfs/dbraw/zinc/57/52/40/656575240.db2.gz MNNVRUKQKGMVGB-ZDUSSCGKSA-N 2 2 266.345 -0.133 20 0 CBADLP O=C(CCc1[nH]cc[nH+]1)N1CCC[C@@H]([NH2+]CCO)C1 ZINC000999037177 656603166 /nfs/dbraw/zinc/60/31/66/656603166.db2.gz AJTNMZYTEPYNEX-LLVKDONJSA-N 2 2 266.345 -0.085 20 0 CBADLP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCC[NH+]1CC=CCC1 ZINC000907887617 656604496 /nfs/dbraw/zinc/60/44/96/656604496.db2.gz PVUQYBVTPMIHPN-JSGCOSHPSA-N 2 2 267.373 -0.180 20 0 CBADLP C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCC[NH+]1CC=CCC1 ZINC000907887617 656604501 /nfs/dbraw/zinc/60/45/01/656604501.db2.gz PVUQYBVTPMIHPN-JSGCOSHPSA-N 2 2 267.373 -0.180 20 0 CBADLP C[NH+]1C[C@@H](O)C[C@@]1(C)C(=O)NCC[N@H+]1CC=CCC1 ZINC000907887617 656604506 /nfs/dbraw/zinc/60/45/06/656604506.db2.gz PVUQYBVTPMIHPN-JSGCOSHPSA-N 2 2 267.373 -0.180 20 0 CBADLP C[NH+]1C[C@@H](O)C[C@@]1(C)C(=O)NCC[N@@H+]1CC=CCC1 ZINC000907887617 656604509 /nfs/dbraw/zinc/60/45/09/656604509.db2.gz PVUQYBVTPMIHPN-JSGCOSHPSA-N 2 2 267.373 -0.180 20 0 CBADLP CN(C(=O)Cc1c[nH+]c[nH]1)C1CC([NH2+]CC(N)=O)C1 ZINC000999468605 656630693 /nfs/dbraw/zinc/63/06/93/656630693.db2.gz HKSZCYZYTYUHSV-UHFFFAOYSA-N 2 2 265.317 -0.984 20 0 CBADLP C[C@@H]([NH2+]C1CC(N(C)C(=O)Cc2[nH]cc[nH+]2)C1)C(N)=O ZINC000999605074 656635783 /nfs/dbraw/zinc/63/57/83/656635783.db2.gz DRTMRLHJUTWFIF-XNWIYYODSA-N 2 2 279.344 -0.595 20 0 CBADLP C/C(=C\C(=O)N[C@@H](CO)C[NH+](C)C)C[NH+]1CCOCC1 ZINC000908199006 656664260 /nfs/dbraw/zinc/66/42/60/656664260.db2.gz BJDOLTGHBFGTRX-YQCJOKCJSA-N 2 2 285.388 -0.696 20 0 CBADLP O=C(/C=C/C[NH+]1CCOCC1)N[C@H](CO)C[NH+]1CCCC1 ZINC000908205914 656674604 /nfs/dbraw/zinc/67/46/04/656674604.db2.gz XUYRIJJNMZQBET-XGACYXMMSA-N 2 2 297.399 -0.552 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]([NH2+]CC(N)=O)C1 ZINC001000425367 656716313 /nfs/dbraw/zinc/71/63/13/656716313.db2.gz HJPDGCPNASPXOP-MNOVXSKESA-N 2 2 293.371 -0.346 20 0 CBADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]([NH2+]CC(N)=O)C1 ZINC001000425367 656716319 /nfs/dbraw/zinc/71/63/19/656716319.db2.gz HJPDGCPNASPXOP-MNOVXSKESA-N 2 2 293.371 -0.346 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001000538866 656735523 /nfs/dbraw/zinc/73/55/23/656735523.db2.gz CNMPLHLOHYWGKU-SNVBAGLBSA-N 2 2 252.318 -0.475 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N1CCC[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001000566050 656737713 /nfs/dbraw/zinc/73/77/13/656737713.db2.gz RXUXEBBGJHNXCQ-QWRGUYRKSA-N 2 2 291.355 -0.579 20 0 CBADLP CC(C)(C(=O)N1CCC[C@H]([NH2+]CC(N)=O)C1)c1c[nH+]c[nH]1 ZINC001000697455 656758889 /nfs/dbraw/zinc/75/88/89/656758889.db2.gz TVJLVYKIZXXRRC-JTQLQIEISA-N 2 2 293.371 -0.247 20 0 CBADLP C[C@H]([NH2+][C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1)C(N)=O ZINC001001052510 656792520 /nfs/dbraw/zinc/79/25/20/656792520.db2.gz NKLAYYDATOLOFH-QWRGUYRKSA-N 2 2 279.344 -0.663 20 0 CBADLP C[C@@H](O)C[NH2+][C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001001053462 656792793 /nfs/dbraw/zinc/79/27/93/656792793.db2.gz XYEOPQSLIVEULU-NEPJUHHUSA-N 2 2 266.345 -0.156 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC1CC[NH+](CCO)CC1 ZINC001003703278 656869564 /nfs/dbraw/zinc/86/95/64/656869564.db2.gz SEBPMRIXGRPBTF-UHFFFAOYSA-N 2 2 252.318 -0.475 20 0 CBADLP C[C@H](O)C[NH+]1CCC(NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001003844267 656876361 /nfs/dbraw/zinc/87/63/61/656876361.db2.gz FXPYSJXUDLUHMH-JTQLQIEISA-N 2 2 266.345 -0.086 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CCC(NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001003969932 656878499 /nfs/dbraw/zinc/87/84/99/656878499.db2.gz FNHVTTRJKYOVKI-SNVBAGLBSA-N 2 2 293.371 -0.583 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N(C)C1CC[NH+](CC(N)=O)CC1 ZINC001006409044 656946603 /nfs/dbraw/zinc/94/66/03/656946603.db2.gz ZKMYZTJVWFUMOY-UHFFFAOYSA-N 2 2 293.371 -0.400 20 0 CBADLP CNC(=O)C[NH+]1CCC(N(C)C(=O)Cn2cc[nH+]c2)CC1 ZINC001006471724 656947802 /nfs/dbraw/zinc/94/78/02/656947802.db2.gz ZAKHRKNMGGJISO-UHFFFAOYSA-N 2 2 293.371 -0.448 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000911229671 656990494 /nfs/dbraw/zinc/99/04/94/656990494.db2.gz LPRXSQMDMIUKBN-UTUOFQBUSA-N 2 2 293.371 -0.641 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000911231185 656990800 /nfs/dbraw/zinc/99/08/00/656990800.db2.gz XMZHDZZTBIZVDN-GMTAPVOTSA-N 2 2 279.344 -0.807 20 0 CBADLP C[NH+](C)Cc1cc(C(=O)N[C@H]2CCC[N@H+](CCO)C2)no1 ZINC001007728146 657019104 /nfs/dbraw/zinc/01/91/04/657019104.db2.gz RKCHHSRFQDSBJS-NSHDSACASA-N 2 2 296.371 -0.077 20 0 CBADLP C[NH+](C)Cc1cc(C(=O)N[C@H]2CCC[N@@H+](CCO)C2)no1 ZINC001007728146 657019113 /nfs/dbraw/zinc/01/91/13/657019113.db2.gz RKCHHSRFQDSBJS-NSHDSACASA-N 2 2 296.371 -0.077 20 0 CBADLP CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001007945318 657027401 /nfs/dbraw/zinc/02/74/01/657027401.db2.gz WNQXLHQLPZGSNZ-GFCCVEGCSA-N 2 2 293.371 -0.482 20 0 CBADLP CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001007945318 657027409 /nfs/dbraw/zinc/02/74/09/657027409.db2.gz WNQXLHQLPZGSNZ-GFCCVEGCSA-N 2 2 293.371 -0.482 20 0 CBADLP CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001008531200 657048633 /nfs/dbraw/zinc/04/86/33/657048633.db2.gz KRVWTDKLPGADCD-STQMWFEESA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001008531200 657048637 /nfs/dbraw/zinc/04/86/37/657048637.db2.gz KRVWTDKLPGADCD-STQMWFEESA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[NH+]1CCC[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001008531200 657048639 /nfs/dbraw/zinc/04/86/39/657048639.db2.gz KRVWTDKLPGADCD-STQMWFEESA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[NH+]1CCC[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001008531200 657048643 /nfs/dbraw/zinc/04/86/43/657048643.db2.gz KRVWTDKLPGADCD-STQMWFEESA-N 2 2 296.415 -0.203 20 0 CBADLP Cc1ccc(NCCNC(=O)C(=O)N2CC[NH2+]CC2)[nH+]c1 ZINC000911481462 657054350 /nfs/dbraw/zinc/05/43/50/657054350.db2.gz TZCUOUXJWRHCPT-UHFFFAOYSA-N 2 2 291.355 -0.650 20 0 CBADLP C[C@@H](O)C[N@@H+]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001009205589 657068455 /nfs/dbraw/zinc/06/84/55/657068455.db2.gz BFARKQIEFGDXHG-NEPJUHHUSA-N 2 2 280.372 -0.076 20 0 CBADLP C[C@@H](O)C[N@H+]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001009205589 657068461 /nfs/dbraw/zinc/06/84/61/657068461.db2.gz BFARKQIEFGDXHG-NEPJUHHUSA-N 2 2 280.372 -0.076 20 0 CBADLP CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001009204582 657069133 /nfs/dbraw/zinc/06/91/33/657069133.db2.gz XSICVIMOTMECFJ-OLZOCXBDSA-N 2 2 296.415 -0.345 20 0 CBADLP CNC(=O)C[N@H+]1CCC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001009204582 657069140 /nfs/dbraw/zinc/06/91/40/657069140.db2.gz XSICVIMOTMECFJ-OLZOCXBDSA-N 2 2 296.415 -0.345 20 0 CBADLP CNC(=O)C[NH+]1CCC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001009204582 657069145 /nfs/dbraw/zinc/06/91/45/657069145.db2.gz XSICVIMOTMECFJ-OLZOCXBDSA-N 2 2 296.415 -0.345 20 0 CBADLP CNC(=O)C[NH+]1CCC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001009204582 657069150 /nfs/dbraw/zinc/06/91/50/657069150.db2.gz XSICVIMOTMECFJ-OLZOCXBDSA-N 2 2 296.415 -0.345 20 0 CBADLP CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001009204588 657069174 /nfs/dbraw/zinc/06/91/74/657069174.db2.gz XSICVIMOTMECFJ-STQMWFEESA-N 2 2 296.415 -0.345 20 0 CBADLP CNC(=O)C[N@H+]1CCC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001009204588 657069178 /nfs/dbraw/zinc/06/91/78/657069178.db2.gz XSICVIMOTMECFJ-STQMWFEESA-N 2 2 296.415 -0.345 20 0 CBADLP CNC(=O)C[NH+]1CCC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001009204588 657069182 /nfs/dbraw/zinc/06/91/82/657069182.db2.gz XSICVIMOTMECFJ-STQMWFEESA-N 2 2 296.415 -0.345 20 0 CBADLP CNC(=O)C[NH+]1CCC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001009204588 657069186 /nfs/dbraw/zinc/06/91/86/657069186.db2.gz XSICVIMOTMECFJ-STQMWFEESA-N 2 2 296.415 -0.345 20 0 CBADLP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CCC[NH+](CC(N)=O)C2)C1 ZINC001009201475 657069458 /nfs/dbraw/zinc/06/94/58/657069458.db2.gz KTJUWTHQUYFASQ-NEPJUHHUSA-N 2 2 282.388 -0.606 20 0 CBADLP C[N@H+]1CC[C@H](CC(=O)N[C@H]2CCC[NH+](CC(N)=O)C2)C1 ZINC001009201475 657069460 /nfs/dbraw/zinc/06/94/60/657069460.db2.gz KTJUWTHQUYFASQ-NEPJUHHUSA-N 2 2 282.388 -0.606 20 0 CBADLP C[NH+]1CC[C@H](CC(=O)N[C@H]2CCC[N@H+](CC(N)=O)C2)C1 ZINC001009201475 657069462 /nfs/dbraw/zinc/06/94/62/657069462.db2.gz KTJUWTHQUYFASQ-NEPJUHHUSA-N 2 2 282.388 -0.606 20 0 CBADLP C[NH+]1CC[C@H](CC(=O)N[C@H]2CCC[N@@H+](CC(N)=O)C2)C1 ZINC001009201475 657069463 /nfs/dbraw/zinc/06/94/63/657069463.db2.gz KTJUWTHQUYFASQ-NEPJUHHUSA-N 2 2 282.388 -0.606 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001009227678 657070161 /nfs/dbraw/zinc/07/01/61/657070161.db2.gz VWFRNPJIDZHQAF-RYUDHWBXSA-N 2 2 294.399 -0.463 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001009227678 657070167 /nfs/dbraw/zinc/07/01/67/657070167.db2.gz VWFRNPJIDZHQAF-RYUDHWBXSA-N 2 2 294.399 -0.463 20 0 CBADLP CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001009511418 657076624 /nfs/dbraw/zinc/07/66/24/657076624.db2.gz WKVAPJOUCBKVHW-VXGBXAGGSA-N 2 2 282.388 -0.735 20 0 CBADLP CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001009511418 657076628 /nfs/dbraw/zinc/07/66/28/657076628.db2.gz WKVAPJOUCBKVHW-VXGBXAGGSA-N 2 2 282.388 -0.735 20 0 CBADLP CNC(=O)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001009511418 657076634 /nfs/dbraw/zinc/07/66/34/657076634.db2.gz WKVAPJOUCBKVHW-VXGBXAGGSA-N 2 2 282.388 -0.735 20 0 CBADLP CNC(=O)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001009511418 657076639 /nfs/dbraw/zinc/07/66/39/657076639.db2.gz WKVAPJOUCBKVHW-VXGBXAGGSA-N 2 2 282.388 -0.735 20 0 CBADLP O=C(C[NH+]1CCCC1)N[C@H]1CCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001009518662 657077061 /nfs/dbraw/zinc/07/70/61/657077061.db2.gz RQRSYLPJFFOAMM-QWHCGFSZSA-N 2 2 294.399 -0.449 20 0 CBADLP O=C(C[NH+]1CCCC1)N[C@H]1CCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001009518662 657077065 /nfs/dbraw/zinc/07/70/65/657077065.db2.gz RQRSYLPJFFOAMM-QWHCGFSZSA-N 2 2 294.399 -0.449 20 0 CBADLP CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001009511410 657077311 /nfs/dbraw/zinc/07/73/11/657077311.db2.gz WKVAPJOUCBKVHW-NEPJUHHUSA-N 2 2 282.388 -0.735 20 0 CBADLP CNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001009511410 657077319 /nfs/dbraw/zinc/07/73/19/657077319.db2.gz WKVAPJOUCBKVHW-NEPJUHHUSA-N 2 2 282.388 -0.735 20 0 CBADLP CNC(=O)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001009511410 657077328 /nfs/dbraw/zinc/07/73/28/657077328.db2.gz WKVAPJOUCBKVHW-NEPJUHHUSA-N 2 2 282.388 -0.735 20 0 CBADLP CNC(=O)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001009511410 657077333 /nfs/dbraw/zinc/07/73/33/657077333.db2.gz WKVAPJOUCBKVHW-NEPJUHHUSA-N 2 2 282.388 -0.735 20 0 CBADLP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC[NH+](CCCF)CC1 ZINC000911591264 657082773 /nfs/dbraw/zinc/08/27/73/657082773.db2.gz YTKOJAGQDKFZOM-OCCSQVGLSA-N 2 2 287.379 -0.055 20 0 CBADLP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC[NH+](CCCF)CC1 ZINC000911591264 657082781 /nfs/dbraw/zinc/08/27/81/657082781.db2.gz YTKOJAGQDKFZOM-OCCSQVGLSA-N 2 2 287.379 -0.055 20 0 CBADLP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CC[NH+](CCCF)CC1 ZINC000911591265 657083107 /nfs/dbraw/zinc/08/31/07/657083107.db2.gz YTKOJAGQDKFZOM-TZMCWYRMSA-N 2 2 287.379 -0.055 20 0 CBADLP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CC[NH+](CCCF)CC1 ZINC000911591265 657083109 /nfs/dbraw/zinc/08/31/09/657083109.db2.gz YTKOJAGQDKFZOM-TZMCWYRMSA-N 2 2 287.379 -0.055 20 0 CBADLP [NH3+]C[C@@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000911739766 657121391 /nfs/dbraw/zinc/12/13/91/657121391.db2.gz YFOIKXVDOBTJFM-MJBXVCDLSA-N 2 2 297.399 -0.327 20 0 CBADLP CN(C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)[C@H]1CC[NH2+]C1 ZINC000911789858 657129934 /nfs/dbraw/zinc/12/99/34/657129934.db2.gz XHTSVQVYFVSVFK-MJBXVCDLSA-N 2 2 297.399 -0.314 20 0 CBADLP COCC[NH+](CCOC)C1CN(C(=O)Cn2cc[nH+]c2)C1 ZINC000911858959 657149205 /nfs/dbraw/zinc/14/92/05/657149205.db2.gz DHPGUXJKRZKRGK-UHFFFAOYSA-N 2 2 296.371 -0.311 20 0 CBADLP CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001010370373 657165944 /nfs/dbraw/zinc/16/59/44/657165944.db2.gz VYSQSMYAJQHISO-NWDGAFQWSA-N 2 2 282.388 -0.641 20 0 CBADLP CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001010370373 657165946 /nfs/dbraw/zinc/16/59/46/657165946.db2.gz VYSQSMYAJQHISO-NWDGAFQWSA-N 2 2 282.388 -0.641 20 0 CBADLP CN(C)C(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001010370373 657165950 /nfs/dbraw/zinc/16/59/50/657165950.db2.gz VYSQSMYAJQHISO-NWDGAFQWSA-N 2 2 282.388 -0.641 20 0 CBADLP CN(C)C(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001010370373 657165952 /nfs/dbraw/zinc/16/59/52/657165952.db2.gz VYSQSMYAJQHISO-NWDGAFQWSA-N 2 2 282.388 -0.641 20 0 CBADLP [NH3+][C@H](CO)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000912030003 657185146 /nfs/dbraw/zinc/18/51/46/657185146.db2.gz TXFICOJNMPXCOH-GFCCVEGCSA-N 2 2 285.388 -0.543 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)/C=C\Cn1cncn1 ZINC000912388880 657248677 /nfs/dbraw/zinc/24/86/77/657248677.db2.gz ZFTPZMSEHYLHBE-XQRVVYSFSA-N 2 2 294.403 -0.166 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)/C=C\Cn1cncn1 ZINC000912388880 657248684 /nfs/dbraw/zinc/24/86/84/657248684.db2.gz ZFTPZMSEHYLHBE-XQRVVYSFSA-N 2 2 294.403 -0.166 20 0 CBADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CC[N@@H+](C)C[C@H]1CO)CC2 ZINC000912738812 657328666 /nfs/dbraw/zinc/32/86/66/657328666.db2.gz JVAJDQGXYZGQIV-JSGCOSHPSA-N 2 2 292.383 -0.111 20 0 CBADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CC[N@H+](C)C[C@H]1CO)CC2 ZINC000912738812 657328673 /nfs/dbraw/zinc/32/86/73/657328673.db2.gz JVAJDQGXYZGQIV-JSGCOSHPSA-N 2 2 292.383 -0.111 20 0 CBADLP C[NH+](C)Cc1ccc(C(=O)N2CC[N@H+](C)C[C@H]2CO)cn1 ZINC000912739320 657330067 /nfs/dbraw/zinc/33/00/67/657330067.db2.gz WNGLIOCYWCZYNT-AWEZNQCLSA-N 2 2 292.383 -0.108 20 0 CBADLP C[NH+](C)Cc1ccc(C(=O)N2CC[N@@H+](C)C[C@H]2CO)cn1 ZINC000912739320 657330076 /nfs/dbraw/zinc/33/00/76/657330076.db2.gz WNGLIOCYWCZYNT-AWEZNQCLSA-N 2 2 292.383 -0.108 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000912741075 657332704 /nfs/dbraw/zinc/33/27/04/657332704.db2.gz KTPLQPREIMVVPW-CHWSQXEVSA-N 2 2 285.388 -0.910 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000912741075 657332706 /nfs/dbraw/zinc/33/27/06/657332706.db2.gz KTPLQPREIMVVPW-CHWSQXEVSA-N 2 2 285.388 -0.910 20 0 CBADLP CC[N@H+](CC(=O)N1CC[NH+](C)C[C@H]1CO)C1CC1 ZINC000912741464 657334794 /nfs/dbraw/zinc/33/47/94/657334794.db2.gz VIYKWGZUZGEEIH-LBPRGKRZSA-N 2 2 255.362 -0.394 20 0 CBADLP CC[N@@H+](CC(=O)N1CC[NH+](C)C[C@H]1CO)C1CC1 ZINC000912741464 657334795 /nfs/dbraw/zinc/33/47/95/657334795.db2.gz VIYKWGZUZGEEIH-LBPRGKRZSA-N 2 2 255.362 -0.394 20 0 CBADLP CC[NH+](CC(=O)N1CC[N@H+](C)C[C@H]1CO)C1CC1 ZINC000912741464 657334796 /nfs/dbraw/zinc/33/47/96/657334796.db2.gz VIYKWGZUZGEEIH-LBPRGKRZSA-N 2 2 255.362 -0.394 20 0 CBADLP CC[NH+](CC(=O)N1CC[N@@H+](C)C[C@H]1CO)C1CC1 ZINC000912741464 657334797 /nfs/dbraw/zinc/33/47/97/657334797.db2.gz VIYKWGZUZGEEIH-LBPRGKRZSA-N 2 2 255.362 -0.394 20 0 CBADLP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001014724970 657379893 /nfs/dbraw/zinc/37/98/93/657379893.db2.gz YSKDIELHONCVJO-OLZOCXBDSA-N 2 2 296.415 -0.075 20 0 CBADLP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001014724970 657379897 /nfs/dbraw/zinc/37/98/97/657379897.db2.gz YSKDIELHONCVJO-OLZOCXBDSA-N 2 2 296.415 -0.075 20 0 CBADLP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001014724970 657379900 /nfs/dbraw/zinc/37/99/00/657379900.db2.gz YSKDIELHONCVJO-OLZOCXBDSA-N 2 2 296.415 -0.075 20 0 CBADLP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001014724970 657379908 /nfs/dbraw/zinc/37/99/08/657379908.db2.gz YSKDIELHONCVJO-OLZOCXBDSA-N 2 2 296.415 -0.075 20 0 CBADLP NC(=O)C[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001014908720 657390301 /nfs/dbraw/zinc/39/03/01/657390301.db2.gz JKVYXJIGDBLQAW-LBPRGKRZSA-N 2 2 294.399 -0.462 20 0 CBADLP NC(=O)C[N@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001014908720 657390307 /nfs/dbraw/zinc/39/03/07/657390307.db2.gz JKVYXJIGDBLQAW-LBPRGKRZSA-N 2 2 294.399 -0.462 20 0 CBADLP C[NH+](C)Cc1cc(C(=O)N[C@H]2CC[N@H+](CCO)C2)no1 ZINC001015029051 657397561 /nfs/dbraw/zinc/39/75/61/657397561.db2.gz ULWAUXVPMSVUDP-JTQLQIEISA-N 2 2 282.344 -0.467 20 0 CBADLP C[NH+](C)Cc1cc(C(=O)N[C@H]2CC[N@@H+](CCO)C2)no1 ZINC001015029051 657397566 /nfs/dbraw/zinc/39/75/66/657397566.db2.gz ULWAUXVPMSVUDP-JTQLQIEISA-N 2 2 282.344 -0.467 20 0 CBADLP NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001015292073 657428592 /nfs/dbraw/zinc/42/85/92/657428592.db2.gz YBBWRMMLTPKOAO-LLVKDONJSA-N 2 2 287.323 -0.376 20 0 CBADLP NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001015292073 657428597 /nfs/dbraw/zinc/42/85/97/657428597.db2.gz YBBWRMMLTPKOAO-LLVKDONJSA-N 2 2 287.323 -0.376 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001015291486 657429367 /nfs/dbraw/zinc/42/93/67/657429367.db2.gz VHMPXGWIQBMDGI-WDEREUQCSA-N 2 2 279.344 -0.744 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001015291486 657429371 /nfs/dbraw/zinc/42/93/71/657429371.db2.gz VHMPXGWIQBMDGI-WDEREUQCSA-N 2 2 279.344 -0.744 20 0 CBADLP O=C(Cn1c[nH+]c2c1CCCC2)N[C@H]1CC[N@@H+](CCO)C1 ZINC001015305463 657432033 /nfs/dbraw/zinc/43/20/33/657432033.db2.gz DJEAVDDKDMDPAO-LBPRGKRZSA-N 2 2 292.383 -0.055 20 0 CBADLP O=C(Cn1c[nH+]c2c1CCCC2)N[C@H]1CC[N@H+](CCO)C1 ZINC001015305463 657432040 /nfs/dbraw/zinc/43/20/40/657432040.db2.gz DJEAVDDKDMDPAO-LBPRGKRZSA-N 2 2 292.383 -0.055 20 0 CBADLP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001015596257 657464548 /nfs/dbraw/zinc/46/45/48/657464548.db2.gz ABXOKFVDTQJMFN-STQMWFEESA-N 2 2 296.415 -0.216 20 0 CBADLP CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001015596257 657464568 /nfs/dbraw/zinc/46/45/68/657464568.db2.gz ABXOKFVDTQJMFN-STQMWFEESA-N 2 2 296.415 -0.216 20 0 CBADLP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)C1 ZINC001015596257 657464605 /nfs/dbraw/zinc/46/46/05/657464605.db2.gz ABXOKFVDTQJMFN-STQMWFEESA-N 2 2 296.415 -0.216 20 0 CBADLP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)C1 ZINC001015596257 657464634 /nfs/dbraw/zinc/46/46/34/657464634.db2.gz ABXOKFVDTQJMFN-STQMWFEESA-N 2 2 296.415 -0.216 20 0 CBADLP CN(C[C@H]1C[N@H+](C)CCO1)C(=O)C12CC[NH+](CC1)C2 ZINC000913506932 657481479 /nfs/dbraw/zinc/48/14/79/657481479.db2.gz JNVRFTGWTVKZED-GFCCVEGCSA-N 2 2 267.373 -0.129 20 0 CBADLP CN(C[C@H]1C[N@@H+](C)CCO1)C(=O)C12CC[NH+](CC1)C2 ZINC000913506932 657481484 /nfs/dbraw/zinc/48/14/84/657481484.db2.gz JNVRFTGWTVKZED-GFCCVEGCSA-N 2 2 267.373 -0.129 20 0 CBADLP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1CC[NH+](CC(=O)N(C)C)C1 ZINC001015702737 657520971 /nfs/dbraw/zinc/52/09/71/657520971.db2.gz SMLPYQGBTLCDED-STQMWFEESA-N 2 2 296.415 -0.251 20 0 CBADLP C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1CC[NH+](CC(=O)N(C)C)C1 ZINC001015702737 657520979 /nfs/dbraw/zinc/52/09/79/657520979.db2.gz SMLPYQGBTLCDED-STQMWFEESA-N 2 2 296.415 -0.251 20 0 CBADLP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1CC[N@H+](CC(=O)N(C)C)C1 ZINC001015702737 657520988 /nfs/dbraw/zinc/52/09/88/657520988.db2.gz SMLPYQGBTLCDED-STQMWFEESA-N 2 2 296.415 -0.251 20 0 CBADLP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C)C1 ZINC001015702737 657520999 /nfs/dbraw/zinc/52/09/99/657520999.db2.gz SMLPYQGBTLCDED-STQMWFEESA-N 2 2 296.415 -0.251 20 0 CBADLP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CC[NH+](CC(=O)N(C)C)C2)C1 ZINC001015705939 657522637 /nfs/dbraw/zinc/52/26/37/657522637.db2.gz QSGGJNAGBHRQPQ-QWHCGFSZSA-N 2 2 296.415 -0.393 20 0 CBADLP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CC[NH+](CC(=O)N(C)C)C2)C1 ZINC001015705939 657522644 /nfs/dbraw/zinc/52/26/44/657522644.db2.gz QSGGJNAGBHRQPQ-QWHCGFSZSA-N 2 2 296.415 -0.393 20 0 CBADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2CC[N@H+](CC(=O)N(C)C)C2)C1 ZINC001015705939 657522649 /nfs/dbraw/zinc/52/26/49/657522649.db2.gz QSGGJNAGBHRQPQ-QWHCGFSZSA-N 2 2 296.415 -0.393 20 0 CBADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2CC[N@@H+](CC(=O)N(C)C)C2)C1 ZINC001015705939 657522656 /nfs/dbraw/zinc/52/26/56/657522656.db2.gz QSGGJNAGBHRQPQ-QWHCGFSZSA-N 2 2 296.415 -0.393 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001015705181 657523547 /nfs/dbraw/zinc/52/35/47/657523547.db2.gz IPVQTCFUYGUAGL-RYUDHWBXSA-N 2 2 282.388 -0.735 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001015705181 657523558 /nfs/dbraw/zinc/52/35/58/657523558.db2.gz IPVQTCFUYGUAGL-RYUDHWBXSA-N 2 2 282.388 -0.735 20 0 CBADLP CNC(=O)C[NH+]1CC[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001015705181 657523567 /nfs/dbraw/zinc/52/35/67/657523567.db2.gz IPVQTCFUYGUAGL-RYUDHWBXSA-N 2 2 282.388 -0.735 20 0 CBADLP CNC(=O)C[NH+]1CC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001015705181 657523575 /nfs/dbraw/zinc/52/35/75/657523575.db2.gz IPVQTCFUYGUAGL-RYUDHWBXSA-N 2 2 282.388 -0.735 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000913547729 657527155 /nfs/dbraw/zinc/52/71/55/657527155.db2.gz UZUKLYGHAGEXFW-STQMWFEESA-N 2 2 285.388 -0.910 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000913547729 657527162 /nfs/dbraw/zinc/52/71/62/657527162.db2.gz UZUKLYGHAGEXFW-STQMWFEESA-N 2 2 285.388 -0.910 20 0 CBADLP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C)[C@H](CO)C1 ZINC000913551687 657541022 /nfs/dbraw/zinc/54/10/22/657541022.db2.gz WMPYNCZVSCCCAR-STQMWFEESA-N 2 2 269.389 -0.004 20 0 CBADLP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C)[C@H](CO)C1 ZINC000913551687 657541032 /nfs/dbraw/zinc/54/10/32/657541032.db2.gz WMPYNCZVSCCCAR-STQMWFEESA-N 2 2 269.389 -0.004 20 0 CBADLP CCC[NH+]1CCC[C@H]1C(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000913551687 657541036 /nfs/dbraw/zinc/54/10/36/657541036.db2.gz WMPYNCZVSCCCAR-STQMWFEESA-N 2 2 269.389 -0.004 20 0 CBADLP CCC[NH+]1CCC[C@H]1C(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000913551687 657541040 /nfs/dbraw/zinc/54/10/40/657541040.db2.gz WMPYNCZVSCCCAR-STQMWFEESA-N 2 2 269.389 -0.004 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001015890442 657597403 /nfs/dbraw/zinc/59/74/03/657597403.db2.gz ORHNRGHAVUFRON-ZDUSSCGKSA-N 2 2 296.415 -0.345 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001015890442 657597413 /nfs/dbraw/zinc/59/74/13/657597413.db2.gz ORHNRGHAVUFRON-ZDUSSCGKSA-N 2 2 296.415 -0.345 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001016261308 657673433 /nfs/dbraw/zinc/67/34/33/657673433.db2.gz XMUOAVADTZZHHE-NWDGAFQWSA-N 2 2 291.355 -0.729 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001016261308 657673446 /nfs/dbraw/zinc/67/34/46/657673446.db2.gz XMUOAVADTZZHHE-NWDGAFQWSA-N 2 2 291.355 -0.729 20 0 CBADLP CN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C2)C1=O ZINC001016258459 657675176 /nfs/dbraw/zinc/67/51/76/657675176.db2.gz BUEWUEJKPARETE-OLZOCXBDSA-N 2 2 294.399 -0.497 20 0 CBADLP CN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C2)C1=O ZINC001016258459 657675177 /nfs/dbraw/zinc/67/51/77/657675177.db2.gz BUEWUEJKPARETE-OLZOCXBDSA-N 2 2 294.399 -0.497 20 0 CBADLP C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001016398721 657699943 /nfs/dbraw/zinc/69/99/43/657699943.db2.gz WIGZJSJGSNKPDB-NWDGAFQWSA-N 2 2 293.371 -0.450 20 0 CBADLP C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001016398721 657699950 /nfs/dbraw/zinc/69/99/50/657699950.db2.gz WIGZJSJGSNKPDB-NWDGAFQWSA-N 2 2 293.371 -0.450 20 0 CBADLP C[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001016398495 657703021 /nfs/dbraw/zinc/70/30/21/657703021.db2.gz SRIMUBMZYYWLFR-MNOVXSKESA-N 2 2 252.318 -0.546 20 0 CBADLP C[C@@H](O)C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001016398495 657703031 /nfs/dbraw/zinc/70/30/31/657703031.db2.gz SRIMUBMZYYWLFR-MNOVXSKESA-N 2 2 252.318 -0.546 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1CC12CC[NH+](CCO)CC2 ZINC001016850394 657735772 /nfs/dbraw/zinc/73/57/72/657735772.db2.gz IHEMROMQLLJAOB-LBPRGKRZSA-N 2 2 278.356 -0.085 20 0 CBADLP C[NH+](C)C1(CNC(=O)NC[C@H]2C[N@H+](C)CCO2)CC1 ZINC000916883998 657792180 /nfs/dbraw/zinc/79/21/80/657792180.db2.gz SITXUKAKLMOMCH-NSHDSACASA-N 2 2 270.377 -0.290 20 0 CBADLP C[NH+](C)C1(CNC(=O)NC[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000916883998 657792187 /nfs/dbraw/zinc/79/21/87/657792187.db2.gz SITXUKAKLMOMCH-NSHDSACASA-N 2 2 270.377 -0.290 20 0 CBADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000917224744 657802904 /nfs/dbraw/zinc/80/29/04/657802904.db2.gz UKQABGPFXFZZPW-OLZOCXBDSA-N 2 2 283.420 -0.374 20 0 CBADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@@H]1CC[N@H+]1C ZINC000917224744 657802909 /nfs/dbraw/zinc/80/29/09/657802909.db2.gz UKQABGPFXFZZPW-OLZOCXBDSA-N 2 2 283.420 -0.374 20 0 CBADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NC[C@@H]1CC[N@H+]1C ZINC000917224744 657802918 /nfs/dbraw/zinc/80/29/18/657802918.db2.gz UKQABGPFXFZZPW-OLZOCXBDSA-N 2 2 283.420 -0.374 20 0 CBADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)NC[C@@H]1CC[NH+]1C ZINC000917960257 657821444 /nfs/dbraw/zinc/82/14/44/657821444.db2.gz OTMIYMYOBRRELL-NWDGAFQWSA-N 2 2 269.393 -0.765 20 0 CBADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NC[C@@H]1CC[NH+]1C ZINC000917960257 657821449 /nfs/dbraw/zinc/82/14/49/657821449.db2.gz OTMIYMYOBRRELL-NWDGAFQWSA-N 2 2 269.393 -0.765 20 0 CBADLP CN1CC[NH+](C)C[C@H]1CNC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000917960257 657821454 /nfs/dbraw/zinc/82/14/54/657821454.db2.gz OTMIYMYOBRRELL-NWDGAFQWSA-N 2 2 269.393 -0.765 20 0 CBADLP CN1CC[NH+](C)C[C@H]1CNC(=O)NC[C@@H]1CC[N@H+]1C ZINC000917960257 657821456 /nfs/dbraw/zinc/82/14/56/657821456.db2.gz OTMIYMYOBRRELL-NWDGAFQWSA-N 2 2 269.393 -0.765 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)O[C@H]3CNOC3)C2)CC1 ZINC000918913489 657841148 /nfs/dbraw/zinc/84/11/48/657841148.db2.gz MESJDXXWEZLPPF-AAEUAGOBSA-N 2 2 298.387 -0.216 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)O[C@H]3CNOC3)C2)CC1 ZINC000918913489 657841150 /nfs/dbraw/zinc/84/11/50/657841150.db2.gz MESJDXXWEZLPPF-AAEUAGOBSA-N 2 2 298.387 -0.216 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)N1CC[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001018950174 657855172 /nfs/dbraw/zinc/85/51/72/657855172.db2.gz XLBZRSZATTZGCZ-NWDGAFQWSA-N 2 2 291.355 -0.579 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)N1CC[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001018950174 657855174 /nfs/dbraw/zinc/85/51/74/657855174.db2.gz XLBZRSZATTZGCZ-NWDGAFQWSA-N 2 2 291.355 -0.579 20 0 CBADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC[C@H]([NH2+]CCO)C1 ZINC001018994668 657856685 /nfs/dbraw/zinc/85/66/85/657856685.db2.gz NFYICAQPKDWRIJ-HBNTYKKESA-N 2 2 264.329 -0.304 20 0 CBADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CC[C@H]([NH2+]CCO)C1 ZINC001018994668 657856687 /nfs/dbraw/zinc/85/66/87/657856687.db2.gz NFYICAQPKDWRIJ-HBNTYKKESA-N 2 2 264.329 -0.304 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)N1CC[C@H]([NH2+]CC(N)=O)C1 ZINC001019181372 657869504 /nfs/dbraw/zinc/86/95/04/657869504.db2.gz DVJJIFQQWIMLBR-JTQLQIEISA-N 2 2 279.344 -0.972 20 0 CBADLP CC[N@H+](CCOC)CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000921046064 657883575 /nfs/dbraw/zinc/88/35/75/657883575.db2.gz GGYACHGPWBMBSR-UHFFFAOYSA-N 2 2 298.387 -0.072 20 0 CBADLP CC[N@@H+](CCOC)CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000921046064 657883583 /nfs/dbraw/zinc/88/35/83/657883583.db2.gz GGYACHGPWBMBSR-UHFFFAOYSA-N 2 2 298.387 -0.072 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001019437360 657894944 /nfs/dbraw/zinc/89/49/44/657894944.db2.gz KMQPJVGTSHUGNI-ONGXEEELSA-N 2 2 277.328 -0.969 20 0 CBADLP C[C@@H](CC(=O)N1CC[C@H]([NH2+]CC(N)=O)C1)n1cc[nH+]c1 ZINC001019447316 657896175 /nfs/dbraw/zinc/89/61/75/657896175.db2.gz BZKVFKRJGYLFGC-QWRGUYRKSA-N 2 2 279.344 -0.490 20 0 CBADLP CN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1=O ZINC001019565998 657913392 /nfs/dbraw/zinc/91/33/92/657913392.db2.gz MXQSUXMKHQNJBT-WDEREUQCSA-N 2 2 291.355 -0.627 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccon3)C2)C1 ZINC001020046087 657996459 /nfs/dbraw/zinc/99/64/59/657996459.db2.gz TXRAZVIYFLTRPK-AVGNSLFASA-N 2 2 294.355 -0.258 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccon3)C2)C1 ZINC001020046087 657996468 /nfs/dbraw/zinc/99/64/68/657996468.db2.gz TXRAZVIYFLTRPK-AVGNSLFASA-N 2 2 294.355 -0.258 20 0 CBADLP CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@]1(C)C[C@H](O)C[NH+]1C ZINC000922161171 658012621 /nfs/dbraw/zinc/01/26/21/658012621.db2.gz UFHFQDHOFRYGHK-NTZNESFSSA-N 2 2 255.362 -0.348 20 0 CBADLP CC[N@H+]1CC[C@@H]1CNC(=O)[C@@]1(C)C[C@H](O)C[NH+]1C ZINC000922161171 658012634 /nfs/dbraw/zinc/01/26/34/658012634.db2.gz UFHFQDHOFRYGHK-NTZNESFSSA-N 2 2 255.362 -0.348 20 0 CBADLP CC[NH+]1CC[C@@H]1CNC(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000922161171 658012650 /nfs/dbraw/zinc/01/26/50/658012650.db2.gz UFHFQDHOFRYGHK-NTZNESFSSA-N 2 2 255.362 -0.348 20 0 CBADLP CC[NH+]1CC[C@@H]1CNC(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC000922161171 658012663 /nfs/dbraw/zinc/01/26/63/658012663.db2.gz UFHFQDHOFRYGHK-NTZNESFSSA-N 2 2 255.362 -0.348 20 0 CBADLP NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001020255187 658031049 /nfs/dbraw/zinc/03/10/49/658031049.db2.gz BURNFDNZRFYVED-ZYUZMQFOSA-N 2 2 277.328 -0.765 20 0 CBADLP NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001020255187 658031059 /nfs/dbraw/zinc/03/10/59/658031059.db2.gz BURNFDNZRFYVED-ZYUZMQFOSA-N 2 2 277.328 -0.765 20 0 CBADLP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1)C(N)=O ZINC001020256399 658031258 /nfs/dbraw/zinc/03/12/58/658031258.db2.gz ZKDAPRXEMCNLTQ-LADJIXMOSA-N 2 2 291.355 -0.376 20 0 CBADLP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1)C(N)=O ZINC001020256399 658031267 /nfs/dbraw/zinc/03/12/67/658031267.db2.gz ZKDAPRXEMCNLTQ-LADJIXMOSA-N 2 2 291.355 -0.376 20 0 CBADLP NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001020312762 658036777 /nfs/dbraw/zinc/03/67/77/658036777.db2.gz SJXCSLIDXXEQCL-GMTAPVOTSA-N 2 2 291.355 -0.832 20 0 CBADLP O=C(N[C@H]1C[C@H]([NH2+]CCO)C1)[C@H]1CCc2c[nH+]cn2C1 ZINC001020312849 658037774 /nfs/dbraw/zinc/03/77/74/658037774.db2.gz VTKYNFHNDHETOP-SRVKXCTJSA-N 2 2 278.356 -0.325 20 0 CBADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001020604037 658080162 /nfs/dbraw/zinc/08/01/62/658080162.db2.gz UFUWDBIOLMXXCQ-GWOFURMSSA-N 2 2 291.355 -0.754 20 0 CBADLP CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1)C(N)=O ZINC001020819525 658095590 /nfs/dbraw/zinc/09/55/90/658095590.db2.gz YWVVRSFEACDCOH-OPRDCNLKSA-N 2 2 279.344 -0.547 20 0 CBADLP C[C@H](CS(C)(=O)=O)[N@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923315024 658203822 /nfs/dbraw/zinc/20/38/22/658203822.db2.gz CHUKMJBGVBCZOA-GHMZBOCLSA-N 2 2 276.402 -0.270 20 0 CBADLP C[C@H](CS(C)(=O)=O)[N@@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923315024 658203838 /nfs/dbraw/zinc/20/38/38/658203838.db2.gz CHUKMJBGVBCZOA-GHMZBOCLSA-N 2 2 276.402 -0.270 20 0 CBADLP Cc1cnn(C[C@@H]2C[N@@H+]([C@H]3C[C@H]([NH3+])C[C@@H]3O)CCO2)c1 ZINC000923321466 658212646 /nfs/dbraw/zinc/21/26/46/658212646.db2.gz FHTFQNDOMRRNSB-XUXIUFHCSA-N 2 2 280.372 -0.257 20 0 CBADLP Cc1cnn(C[C@@H]2C[N@H+]([C@H]3C[C@H]([NH3+])C[C@@H]3O)CCO2)c1 ZINC000923321466 658212667 /nfs/dbraw/zinc/21/26/67/658212667.db2.gz FHTFQNDOMRRNSB-XUXIUFHCSA-N 2 2 280.372 -0.257 20 0 CBADLP CC[C@H](O)C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000923331800 658218400 /nfs/dbraw/zinc/21/84/00/658218400.db2.gz GJIBBURKXXZKEV-RYUDHWBXSA-N 2 2 255.362 -0.347 20 0 CBADLP CC[C@H](O)C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000923331800 658218417 /nfs/dbraw/zinc/21/84/17/658218417.db2.gz GJIBBURKXXZKEV-RYUDHWBXSA-N 2 2 255.362 -0.347 20 0 CBADLP CC(C)OC[C@H](O)C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000923334999 658219899 /nfs/dbraw/zinc/21/98/99/658219899.db2.gz ZLVXQHCDRZLYOQ-UONOGXRCSA-N 2 2 299.415 -0.332 20 0 CBADLP CC(C)OC[C@H](O)C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000923334999 658219913 /nfs/dbraw/zinc/21/99/13/658219913.db2.gz ZLVXQHCDRZLYOQ-UONOGXRCSA-N 2 2 299.415 -0.332 20 0 CBADLP COC(=O)[C@H]1C[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC000923369315 658243028 /nfs/dbraw/zinc/24/30/28/658243028.db2.gz IJWSWUVXWHREFV-GHMZBOCLSA-N 2 2 270.329 -0.761 20 0 CBADLP COC(=O)[C@H]1C[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC000923369315 658243052 /nfs/dbraw/zinc/24/30/52/658243052.db2.gz IJWSWUVXWHREFV-GHMZBOCLSA-N 2 2 270.329 -0.761 20 0 CBADLP CN1CC(=O)N(CC[NH2+][C@@H]2CC[NH2+]C23CCC3)C1=O ZINC000923397776 658253767 /nfs/dbraw/zinc/25/37/67/658253767.db2.gz DVBFCIJEMAKRKS-SNVBAGLBSA-N 2 2 266.345 -0.245 20 0 CBADLP CC(=O)NCC(=O)N1CCC[N@H+](CCC[NH2+]C2CC2)CC1 ZINC000923402623 658260218 /nfs/dbraw/zinc/26/02/18/658260218.db2.gz INRBDQSZJSLEEZ-UHFFFAOYSA-N 2 2 296.415 -0.201 20 0 CBADLP CC(=O)NCC(=O)N1CCC[N@@H+](CCC[NH2+]C2CC2)CC1 ZINC000923402623 658260244 /nfs/dbraw/zinc/26/02/44/658260244.db2.gz INRBDQSZJSLEEZ-UHFFFAOYSA-N 2 2 296.415 -0.201 20 0 CBADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1C[C@H](O)COC[C@H]1CCCO1 ZINC000923412571 658267274 /nfs/dbraw/zinc/26/72/74/658267274.db2.gz JIARJKBYGMFWIB-MROQNXINSA-N 2 2 258.362 -0.036 20 0 CBADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1C[C@H](O)COC[C@H]1CCCO1 ZINC000923412571 658267316 /nfs/dbraw/zinc/26/73/16/658267316.db2.gz JIARJKBYGMFWIB-MROQNXINSA-N 2 2 258.362 -0.036 20 0 CBADLP C[S@](=N)(=O)N1CC[NH+](C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923423045 658272877 /nfs/dbraw/zinc/27/28/77/658272877.db2.gz YSIGZMGDWAUDAV-NSPYISDASA-N 2 2 288.417 -0.426 20 0 CBADLP [NH3+][C@H]1CCC[N@H+](C[C@@H](O)COC[C@@H]2CCCO2)C1 ZINC000923431311 658276618 /nfs/dbraw/zinc/27/66/18/658276618.db2.gz STOWHEYKZFIKJF-XQQFMLRXSA-N 2 2 258.362 -0.034 20 0 CBADLP [NH3+][C@H]1CCC[N@@H+](C[C@@H](O)COC[C@@H]2CCCO2)C1 ZINC000923431311 658276641 /nfs/dbraw/zinc/27/66/41/658276641.db2.gz STOWHEYKZFIKJF-XQQFMLRXSA-N 2 2 258.362 -0.034 20 0 CBADLP O=S(=O)(C1C[NH+](CC2CC=CC2)C1)N1CC[NH2+]CC1 ZINC000923437771 658279070 /nfs/dbraw/zinc/27/90/70/658279070.db2.gz YQQXEEGKVIGSQZ-UHFFFAOYSA-N 2 2 285.413 -0.128 20 0 CBADLP O=C(CC[NH+]1CCOCC1)N1CC[NH+](CCCO)CC1 ZINC000951754927 658331920 /nfs/dbraw/zinc/33/19/20/658331920.db2.gz YWWGLYSMUASFQH-UHFFFAOYSA-N 2 2 285.388 -0.765 20 0 CBADLP C[NH+](C)C[C@H]1NC(=O)N(CCn2cc[nH+]c2)C1=O ZINC000924442605 658600021 /nfs/dbraw/zinc/60/00/21/658600021.db2.gz VPMCVKOSNMALAF-SECBINFHSA-N 2 2 251.290 -0.635 20 0 CBADLP C[C@H](CN1C(=O)N[C@H](C[NH+](C)C)C1=O)[NH+]1CCOCC1 ZINC000924472240 658603757 /nfs/dbraw/zinc/60/37/57/658603757.db2.gz MDQVMCFVRGKLNR-GHMZBOCLSA-N 2 2 284.360 -0.811 20 0 CBADLP C[C@@H](C[C@H]1CCC(=O)N1)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000924841560 658645496 /nfs/dbraw/zinc/64/54/96/658645496.db2.gz KEAGVJMNNJIWOX-NWDGAFQWSA-N 2 2 282.388 -0.593 20 0 CBADLP C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1cc(CO)on1 ZINC000924945404 658669805 /nfs/dbraw/zinc/66/98/05/658669805.db2.gz GGGVFPAMPOQAHB-LLVKDONJSA-N 2 2 296.371 -0.018 20 0 CBADLP C[NH+](C)C[C@@H]1NC(=O)N(CC[N@@H+]2CCOCC2(C)C)C1=O ZINC000925293784 658817462 /nfs/dbraw/zinc/81/74/62/658817462.db2.gz DORFCFPARXPTPI-NSHDSACASA-N 2 2 298.387 -0.421 20 0 CBADLP C[NH+](C)C[C@@H]1NC(=O)N(CC[N@H+]2CCOCC2(C)C)C1=O ZINC000925293784 658817470 /nfs/dbraw/zinc/81/74/70/658817470.db2.gz DORFCFPARXPTPI-NSHDSACASA-N 2 2 298.387 -0.421 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC000961891143 658836297 /nfs/dbraw/zinc/83/62/97/658836297.db2.gz SCANVBHCFKXBNS-PJXYFTJBSA-N 2 2 264.329 -0.619 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC000961891143 658836299 /nfs/dbraw/zinc/83/62/99/658836299.db2.gz SCANVBHCFKXBNS-PJXYFTJBSA-N 2 2 264.329 -0.619 20 0 CBADLP C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@H]2CC[NH+]2C)C[C@H]1C ZINC000925415970 658841535 /nfs/dbraw/zinc/84/15/35/658841535.db2.gz BGHOZBXTRLULRW-FRRDWIJNSA-N 2 2 284.404 -0.213 20 0 CBADLP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@H]2CC[NH+]2C)C[C@H]1C ZINC000925415970 658841543 /nfs/dbraw/zinc/84/15/43/658841543.db2.gz BGHOZBXTRLULRW-FRRDWIJNSA-N 2 2 284.404 -0.213 20 0 CBADLP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@H]2CC[N@@H+]2C)C[C@H]1C ZINC000925415970 658841548 /nfs/dbraw/zinc/84/15/48/658841548.db2.gz BGHOZBXTRLULRW-FRRDWIJNSA-N 2 2 284.404 -0.213 20 0 CBADLP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@H]2CC[N@H+]2C)C[C@H]1C ZINC000925415970 658841553 /nfs/dbraw/zinc/84/15/53/658841553.db2.gz BGHOZBXTRLULRW-FRRDWIJNSA-N 2 2 284.404 -0.213 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC1CC(C[NH2+][C@H]2CCNC2=O)C1 ZINC000962362588 658851891 /nfs/dbraw/zinc/85/18/91/658851891.db2.gz OGPLXCOJGYOWQW-CBINBANVSA-N 2 2 291.355 -0.675 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](C)O)C[C@H]21 ZINC000962407827 658852597 /nfs/dbraw/zinc/85/25/97/658852597.db2.gz QTCCOSTXBOBDQZ-HJUHTLPRSA-N 2 2 278.356 -0.312 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H](C)O)C[C@H]21 ZINC000962407827 658852600 /nfs/dbraw/zinc/85/26/00/658852600.db2.gz QTCCOSTXBOBDQZ-HJUHTLPRSA-N 2 2 278.356 -0.312 20 0 CBADLP CNC(=O)C[NH+]1CCC(N[C@@H]2CC[NH2+]C2(C)C)CC1 ZINC000925537557 658857877 /nfs/dbraw/zinc/85/78/77/658857877.db2.gz LSYKMXQRTUQIDL-GFCCVEGCSA-N 2 2 268.405 -0.073 20 0 CBADLP CC(C)[C@@H](CN[C@H]1C[NH2+]CCOC1)[NH+]1CCOCC1 ZINC000925518048 658858173 /nfs/dbraw/zinc/85/81/73/658858173.db2.gz NQTYZBYFTBJENF-UONOGXRCSA-N 2 2 271.405 -0.079 20 0 CBADLP CS(=O)(=O)N1CCC(C[NH2+][C@H]2C[NH2+]CCOC2)CC1 ZINC000925549624 658859032 /nfs/dbraw/zinc/85/90/32/658859032.db2.gz WZRODQYHGDAGJD-LBPRGKRZSA-N 2 2 291.417 -0.764 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC1CC(C[NH2+][C@H]2CCNC2=O)C1 ZINC000962887835 658860972 /nfs/dbraw/zinc/86/09/72/658860972.db2.gz MGEPDLXGLPDQIW-MCIGGMRASA-N 2 2 291.355 -0.744 20 0 CBADLP C[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1 ZINC000963021150 658862028 /nfs/dbraw/zinc/86/20/28/658862028.db2.gz OTDHXSYPHFTQFC-MEWQQHAOSA-N 2 2 264.329 -0.690 20 0 CBADLP C[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1 ZINC000963021150 658862031 /nfs/dbraw/zinc/86/20/31/658862031.db2.gz OTDHXSYPHFTQFC-MEWQQHAOSA-N 2 2 264.329 -0.690 20 0 CBADLP CS(=O)(=O)N1CCC[C@@H]1C[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925606099 658862711 /nfs/dbraw/zinc/86/27/11/658862711.db2.gz HDZJBXXLBVGIOH-BSCCGWMCSA-N 2 2 299.440 -0.004 20 0 CBADLP OCC[C@H]([NH2+][C@@H]1C[NH2+]CCOC1)C1CCOCC1 ZINC000925639826 658864043 /nfs/dbraw/zinc/86/40/43/658864043.db2.gz NLLIBJSMULFGEN-OLZOCXBDSA-N 2 2 258.362 -0.258 20 0 CBADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@]12COCCN1C(=O)COC2 ZINC000925726474 658868487 /nfs/dbraw/zinc/86/84/87/658868487.db2.gz ILYRXEOUVXUCQX-SMDDNHRTSA-N 2 2 283.372 -0.656 20 0 CBADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@H](O)c1ccnn1C ZINC000925888657 658876174 /nfs/dbraw/zinc/87/61/74/658876174.db2.gz DXAIQVXWUXTXAU-WZRBSPASSA-N 2 2 268.361 -0.190 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[C@@H](C[NH3+])[C@H](C)C2)CC1 ZINC000926282929 658890039 /nfs/dbraw/zinc/89/00/39/658890039.db2.gz ZAFSNXLWTYTIKZ-OLZOCXBDSA-N 2 2 296.415 -0.406 20 0 CBADLP C[C@H]1CN(C(=O)C(=O)N2CC[NH+](C)CC2)CC[C@@H]1C[NH3+] ZINC000926417071 658899451 /nfs/dbraw/zinc/89/94/51/658899451.db2.gz WJFJKIFVIBNTQM-NWDGAFQWSA-N 2 2 282.388 -0.796 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](CC(N)=O)CC[C@@H]1C ZINC000967401851 658911423 /nfs/dbraw/zinc/91/14/23/658911423.db2.gz IEXVWPXGZFWSNT-CMPLNLGQSA-N 2 2 293.371 -0.497 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](CC(N)=O)CC[C@@H]1C ZINC000967401851 658911429 /nfs/dbraw/zinc/91/14/29/658911429.db2.gz IEXVWPXGZFWSNT-CMPLNLGQSA-N 2 2 293.371 -0.497 20 0 CBADLP CCO[C@@H](C[NH2+][C@@H]1C(=O)NCC12CCOCC2)C[NH+](C)C ZINC000926960528 658918943 /nfs/dbraw/zinc/91/89/43/658918943.db2.gz MJMVYXRZWGZTLL-QWHCGFSZSA-N 2 2 299.415 -0.162 20 0 CBADLP O=C(CCc1[nH]cc[nH+]1)N1CC[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC000968538679 658931015 /nfs/dbraw/zinc/93/10/15/658931015.db2.gz UNLNLKHSTZDTQD-MNOVXSKESA-N 2 2 291.355 -0.579 20 0 CBADLP C[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000968647782 658937620 /nfs/dbraw/zinc/93/76/20/658937620.db2.gz OKOCHTYTVIXXIM-NEPJUHHUSA-N 2 2 282.388 -0.606 20 0 CBADLP C[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000968647782 658937632 /nfs/dbraw/zinc/93/76/32/658937632.db2.gz OKOCHTYTVIXXIM-NEPJUHHUSA-N 2 2 282.388 -0.606 20 0 CBADLP Cc1cn(C(C)(C)C(=O)N2CC[C@@H]([NH2+]CC(N)=O)C2)c[nH+]1 ZINC000969069166 658950038 /nfs/dbraw/zinc/95/00/38/658950038.db2.gz LLOGODYJPUXSDJ-LLVKDONJSA-N 2 2 293.371 -0.398 20 0 CBADLP C[C@@H]([NH2+][C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1)C(N)=O ZINC000969437371 658990538 /nfs/dbraw/zinc/99/05/38/658990538.db2.gz UZOWXPMIFKSEJZ-GHMZBOCLSA-N 2 2 293.371 -0.583 20 0 CBADLP C[C@@H]([NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1)C(N)=O ZINC000969518697 659000154 /nfs/dbraw/zinc/00/01/54/659000154.db2.gz QIUJDSLDGGKQBL-GHMZBOCLSA-N 2 2 279.344 -0.663 20 0 CBADLP C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1C[NH+](CC(N)=O)C1 ZINC000969702628 659010800 /nfs/dbraw/zinc/01/08/00/659010800.db2.gz APAOOVPHAPFVPN-HOSYDEDBSA-N 2 2 282.388 -0.752 20 0 CBADLP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1C[NH+](CC(N)=O)C1 ZINC000969702628 659010804 /nfs/dbraw/zinc/01/08/04/659010804.db2.gz APAOOVPHAPFVPN-HOSYDEDBSA-N 2 2 282.388 -0.752 20 0 CBADLP C[C@H](O)C[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000970341593 659049744 /nfs/dbraw/zinc/04/97/44/659049744.db2.gz QXXYCMCSWCNMJY-VHSXEESVSA-N 2 2 252.318 -0.477 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC000970341222 659050781 /nfs/dbraw/zinc/05/07/81/659050781.db2.gz LFGSCSGXSYLPQB-MNOVXSKESA-N 2 2 291.355 -0.579 20 0 CBADLP C[C@H](NC(=O)C1CC[NH+](C)CC1)C1C[NH+](CC(N)=O)C1 ZINC000970368505 659051594 /nfs/dbraw/zinc/05/15/94/659051594.db2.gz YJKRDWVIEHOIMK-JTQLQIEISA-N 2 2 282.388 -0.750 20 0 CBADLP O=C(N1CC[C@@H]([NH2+]Cc2cnon2)C1)C12CC[NH+](CC1)C2 ZINC000970490694 659059870 /nfs/dbraw/zinc/05/98/70/659059870.db2.gz XAWYMFZXPVRJNJ-LLVKDONJSA-N 2 2 291.355 -0.144 20 0 CBADLP C[N@H+](CCO)[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000971433524 659091731 /nfs/dbraw/zinc/09/17/31/659091731.db2.gz RJHPBGHRTCMUFR-NSHDSACASA-N 2 2 266.345 -0.133 20 0 CBADLP C[N@@H+](CCO)[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000971433524 659091738 /nfs/dbraw/zinc/09/17/38/659091738.db2.gz RJHPBGHRTCMUFR-NSHDSACASA-N 2 2 266.345 -0.133 20 0 CBADLP C[C@@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000972617641 659122535 /nfs/dbraw/zinc/12/25/35/659122535.db2.gz DMCCBZWOIDYRIB-GHMZBOCLSA-N 2 2 266.345 -0.134 20 0 CBADLP C[C@@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000972617641 659122541 /nfs/dbraw/zinc/12/25/41/659122541.db2.gz DMCCBZWOIDYRIB-GHMZBOCLSA-N 2 2 266.345 -0.134 20 0 CBADLP C[C@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000972617644 659124583 /nfs/dbraw/zinc/12/45/83/659124583.db2.gz DMCCBZWOIDYRIB-WDEREUQCSA-N 2 2 266.345 -0.134 20 0 CBADLP C[C@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000972617644 659124587 /nfs/dbraw/zinc/12/45/87/659124587.db2.gz DMCCBZWOIDYRIB-WDEREUQCSA-N 2 2 266.345 -0.134 20 0 CBADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000930034982 659197530 /nfs/dbraw/zinc/19/75/30/659197530.db2.gz HQCKXRWNWPAEQE-ZDUSSCGKSA-N 2 2 269.389 -0.004 20 0 CBADLP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000930034982 659197534 /nfs/dbraw/zinc/19/75/34/659197534.db2.gz HQCKXRWNWPAEQE-ZDUSSCGKSA-N 2 2 269.389 -0.004 20 0 CBADLP C[C@H](O)[C@@H](O)C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000930062545 659201847 /nfs/dbraw/zinc/20/18/47/659201847.db2.gz VKSLOOHIJWSCIE-QWRGUYRKSA-N 2 2 254.334 -0.716 20 0 CBADLP Cn1cc[nH+]c1N1CC[NH+](C[C@H](O)C2(O)CCC2)CC1 ZINC000930066986 659203077 /nfs/dbraw/zinc/20/30/77/659203077.db2.gz IZQVSDLDRCOFPI-LBPRGKRZSA-N 2 2 280.372 -0.182 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]([N@@H+](C)[C@H](C)C(N)=O)C1 ZINC000980265558 659261503 /nfs/dbraw/zinc/26/15/03/659261503.db2.gz VIQJFUCTQQQMHM-GHMZBOCLSA-N 2 2 293.371 -0.333 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]([N@H+](C)[C@H](C)C(N)=O)C1 ZINC000980265558 659261517 /nfs/dbraw/zinc/26/15/17/659261517.db2.gz VIQJFUCTQQQMHM-GHMZBOCLSA-N 2 2 293.371 -0.333 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N1CC[C@H]([N@@H+](C)[C@H](C)C(N)=O)C1 ZINC000980406115 659270347 /nfs/dbraw/zinc/27/03/47/659270347.db2.gz AHQWOMNCTYIHFD-PWSUYJOCSA-N 2 2 293.371 -0.402 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N1CC[C@H]([N@H+](C)[C@H](C)C(N)=O)C1 ZINC000980406115 659270351 /nfs/dbraw/zinc/27/03/51/659270351.db2.gz AHQWOMNCTYIHFD-PWSUYJOCSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@H](C(N)=O)[N@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000980538435 659273853 /nfs/dbraw/zinc/27/38/53/659273853.db2.gz GRUFDCQYIUNWQX-GHMZBOCLSA-N 2 2 279.344 -0.710 20 0 CBADLP C[C@H](C(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000980538435 659273865 /nfs/dbraw/zinc/27/38/65/659273865.db2.gz GRUFDCQYIUNWQX-GHMZBOCLSA-N 2 2 279.344 -0.710 20 0 CBADLP C[C@@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000980538171 659274068 /nfs/dbraw/zinc/27/40/68/659274068.db2.gz AYAWBCPSRCHWDS-VXGBXAGGSA-N 2 2 266.345 -0.203 20 0 CBADLP C[C@@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000980538171 659274080 /nfs/dbraw/zinc/27/40/80/659274080.db2.gz AYAWBCPSRCHWDS-VXGBXAGGSA-N 2 2 266.345 -0.203 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC000981333747 659315555 /nfs/dbraw/zinc/31/55/55/659315555.db2.gz UHDKVNFCPHLUDD-YPMHNXCESA-N 2 2 296.415 -0.265 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC000981333747 659315558 /nfs/dbraw/zinc/31/55/58/659315558.db2.gz UHDKVNFCPHLUDD-YPMHNXCESA-N 2 2 296.415 -0.265 20 0 CBADLP O=C([C@H]1CCn2c[nH+]cc2C1)N1CCC[N@@H+](CCO)CC1 ZINC000981473466 659319316 /nfs/dbraw/zinc/31/93/16/659319316.db2.gz DCQPXGCQVKQDIS-ZDUSSCGKSA-N 2 2 292.383 -0.028 20 0 CBADLP O=C([C@H]1CCn2c[nH+]cc2C1)N1CCC[N@H+](CCO)CC1 ZINC000981473466 659319321 /nfs/dbraw/zinc/31/93/21/659319321.db2.gz DCQPXGCQVKQDIS-ZDUSSCGKSA-N 2 2 292.383 -0.028 20 0 CBADLP C[C@H]1C[C@@H](C(=O)N2CCC[NH+](CC(N)=O)CC2)CC[N@H+]1C ZINC000981825764 659332382 /nfs/dbraw/zinc/33/23/82/659332382.db2.gz ZPPBIXVIHYWBRK-STQMWFEESA-N 2 2 296.415 -0.264 20 0 CBADLP C[C@H]1C[C@@H](C(=O)N2CCC[NH+](CC(N)=O)CC2)CC[N@@H+]1C ZINC000981825764 659332375 /nfs/dbraw/zinc/33/23/75/659332375.db2.gz ZPPBIXVIHYWBRK-STQMWFEESA-N 2 2 296.415 -0.264 20 0 CBADLP C[C@H]1C[C@@H](C(=O)N2CCC[N@H+](CC(N)=O)CC2)CC[NH+]1C ZINC000981825764 659332391 /nfs/dbraw/zinc/33/23/91/659332391.db2.gz ZPPBIXVIHYWBRK-STQMWFEESA-N 2 2 296.415 -0.264 20 0 CBADLP C[C@H]1C[C@@H](C(=O)N2CCC[N@@H+](CC(N)=O)CC2)CC[NH+]1C ZINC000981825764 659332397 /nfs/dbraw/zinc/33/23/97/659332397.db2.gz ZPPBIXVIHYWBRK-STQMWFEESA-N 2 2 296.415 -0.264 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CCCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000981868532 659333840 /nfs/dbraw/zinc/33/38/40/659333840.db2.gz ZERBCUORGUGSFT-LBPRGKRZSA-N 2 2 296.415 -0.264 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CCCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000981868532 659333848 /nfs/dbraw/zinc/33/38/48/659333848.db2.gz ZERBCUORGUGSFT-LBPRGKRZSA-N 2 2 296.415 -0.264 20 0 CBADLP C[NH+](C)CCN1CC[N@H+](C[C@H](O)C2(O)CCCC2)CC1=O ZINC000930848556 659352132 /nfs/dbraw/zinc/35/21/32/659352132.db2.gz KZQAPQAWHAJGJG-ZDUSSCGKSA-N 2 2 299.415 -0.642 20 0 CBADLP C[NH+](C)CCN1CC[N@@H+](C[C@H](O)C2(O)CCCC2)CC1=O ZINC000930848556 659352140 /nfs/dbraw/zinc/35/21/40/659352140.db2.gz KZQAPQAWHAJGJG-ZDUSSCGKSA-N 2 2 299.415 -0.642 20 0 CBADLP C[N@H+](CCO)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000985675378 659393985 /nfs/dbraw/zinc/39/39/85/659393985.db2.gz RWOKIOWMNOBPBB-UHFFFAOYSA-N 2 2 266.345 -0.133 20 0 CBADLP C[N@@H+](CCO)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000985675378 659393992 /nfs/dbraw/zinc/39/39/92/659393992.db2.gz RWOKIOWMNOBPBB-UHFFFAOYSA-N 2 2 266.345 -0.133 20 0 CBADLP C[C@@H](C(N)=O)[N@H+](C)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000985674344 659395030 /nfs/dbraw/zinc/39/50/30/659395030.db2.gz AAFROPKXTDLLOM-JTQLQIEISA-N 2 2 293.371 -0.251 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+](C)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000985674344 659395038 /nfs/dbraw/zinc/39/50/38/659395038.db2.gz AAFROPKXTDLLOM-JTQLQIEISA-N 2 2 293.371 -0.251 20 0 CBADLP C[C@H](C(N)=O)[N@H+](C)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000985713562 659396522 /nfs/dbraw/zinc/39/65/22/659396522.db2.gz WKVMOMXSHTZDEX-SNVBAGLBSA-N 2 2 293.371 -0.251 20 0 CBADLP C[C@H](C(N)=O)[N@@H+](C)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000985713562 659396533 /nfs/dbraw/zinc/39/65/33/659396533.db2.gz WKVMOMXSHTZDEX-SNVBAGLBSA-N 2 2 293.371 -0.251 20 0 CBADLP CN(C)S(=O)(=O)CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931280324 659423399 /nfs/dbraw/zinc/42/33/99/659423399.db2.gz XIHLNQIAYJVFLH-GDNZZTSVSA-N 2 2 275.418 -0.240 20 0 CBADLP CN(C)S(=O)(=O)CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931280324 659423406 /nfs/dbraw/zinc/42/34/06/659423406.db2.gz XIHLNQIAYJVFLH-GDNZZTSVSA-N 2 2 275.418 -0.240 20 0 CBADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CC3CN(S(C)(=O)=O)C3)C[C@H]21 ZINC000931281149 659423641 /nfs/dbraw/zinc/42/36/41/659423641.db2.gz PBWOLFUUXFVFJU-GDNZZTSVSA-N 2 2 273.402 -0.630 20 0 CBADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CC3CN(S(C)(=O)=O)C3)C[C@H]21 ZINC000931281149 659423660 /nfs/dbraw/zinc/42/36/60/659423660.db2.gz PBWOLFUUXFVFJU-GDNZZTSVSA-N 2 2 273.402 -0.630 20 0 CBADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@](O)(C(N)=O)c3ccccc3)C[C@H]21 ZINC000931277766 659426110 /nfs/dbraw/zinc/42/61/10/659426110.db2.gz PCFRFGJFTZALGR-ORIJERBGSA-N 2 2 289.379 -0.149 20 0 CBADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[C@](O)(C(N)=O)c3ccccc3)C[C@H]21 ZINC000931277766 659426119 /nfs/dbraw/zinc/42/61/19/659426119.db2.gz PCFRFGJFTZALGR-ORIJERBGSA-N 2 2 289.379 -0.149 20 0 CBADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@H](O)Cn3cccn3)C[C@H]21 ZINC000931282399 659427870 /nfs/dbraw/zinc/42/78/70/659427870.db2.gz RVPHWGTZLHCTCG-WUHRBBMRSA-N 2 2 250.346 -0.264 20 0 CBADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[C@H](O)Cn3cccn3)C[C@H]21 ZINC000931282399 659427881 /nfs/dbraw/zinc/42/78/81/659427881.db2.gz RVPHWGTZLHCTCG-WUHRBBMRSA-N 2 2 250.346 -0.264 20 0 CBADLP COC(=O)[C@](C)(O)C[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931519373 659476620 /nfs/dbraw/zinc/47/66/20/659476620.db2.gz RWNHRUAUNMNESM-CYBMUJFWSA-N 2 2 265.313 -0.054 20 0 CBADLP COC(=O)[C@](C)(O)C[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931519373 659476631 /nfs/dbraw/zinc/47/66/31/659476631.db2.gz RWNHRUAUNMNESM-CYBMUJFWSA-N 2 2 265.313 -0.054 20 0 CBADLP COC(=O)[C@@](C)(O)C[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931519376 659479668 /nfs/dbraw/zinc/47/96/68/659479668.db2.gz RWNHRUAUNMNESM-ZDUSSCGKSA-N 2 2 265.313 -0.054 20 0 CBADLP COC(=O)[C@@](C)(O)C[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931519376 659479679 /nfs/dbraw/zinc/47/96/79/659479679.db2.gz RWNHRUAUNMNESM-ZDUSSCGKSA-N 2 2 265.313 -0.054 20 0 CBADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@H]2CC[NH+]2C)C[C@@H]1C ZINC000931883377 659550405 /nfs/dbraw/zinc/55/04/05/659550405.db2.gz SHNSJTWLLKCFHC-RWMBFGLXSA-N 2 2 296.415 -0.252 20 0 CBADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@H]2CC[NH+]2C)C[C@@H]1C ZINC000931883377 659550411 /nfs/dbraw/zinc/55/04/11/659550411.db2.gz SHNSJTWLLKCFHC-RWMBFGLXSA-N 2 2 296.415 -0.252 20 0 CBADLP CC[NH+]1C[C@H](C)N(C(=O)C(=O)NC[C@H]2CC[N@@H+]2C)C[C@@H]1C ZINC000931883377 659550419 /nfs/dbraw/zinc/55/04/19/659550419.db2.gz SHNSJTWLLKCFHC-RWMBFGLXSA-N 2 2 296.415 -0.252 20 0 CBADLP CC[NH+]1C[C@H](C)N(C(=O)C(=O)NC[C@H]2CC[N@H+]2C)C[C@@H]1C ZINC000931883377 659550427 /nfs/dbraw/zinc/55/04/27/659550427.db2.gz SHNSJTWLLKCFHC-RWMBFGLXSA-N 2 2 296.415 -0.252 20 0 CBADLP C[C@@H]1C[C@@H]([NH2+]CCO)CN1C(=O)CCc1[nH]cc[nH+]1 ZINC000988741894 659554505 /nfs/dbraw/zinc/55/45/05/659554505.db2.gz FUHHUKPCJQUONV-GHMZBOCLSA-N 2 2 266.345 -0.086 20 0 CBADLP C[C@H]1C[C@H]([NH2+]CC(N)=O)CN1C(=O)CCc1[nH]cc[nH+]1 ZINC000988746855 659554613 /nfs/dbraw/zinc/55/46/13/659554613.db2.gz XHKSNKIOVFFJQA-UWVGGRQHSA-N 2 2 279.344 -0.593 20 0 CBADLP C[C@H]1C[C@@H]([NH2+]CC(N)=O)CN1C(=O)CCc1[nH+]ccn1C ZINC000989224312 659575073 /nfs/dbraw/zinc/57/50/73/659575073.db2.gz VFKNNUPLOVRGHP-WDEREUQCSA-N 2 2 293.371 -0.583 20 0 CBADLP C[C@@H]1C[C@H]([NH2+]CC(N)=O)CN1C(=O)CCc1[nH+]ccn1C ZINC000989224307 659575434 /nfs/dbraw/zinc/57/54/34/659575434.db2.gz VFKNNUPLOVRGHP-MNOVXSKESA-N 2 2 293.371 -0.583 20 0 CBADLP C[C@H]1C[C@@H]([NH2+]CC(N)=O)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC000989491416 659589414 /nfs/dbraw/zinc/58/94/14/659589414.db2.gz GITWVQRSQKZTRT-WCBMZHEXSA-N 2 2 265.317 -0.984 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)N1CCC[N@H+](CCO)CC1 ZINC000989584629 659599440 /nfs/dbraw/zinc/59/94/40/659599440.db2.gz HVNBVCZJFWKBKR-UHFFFAOYSA-N 2 2 280.372 -0.121 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)N1CCC[N@@H+](CCO)CC1 ZINC000989584629 659599445 /nfs/dbraw/zinc/59/94/45/659599445.db2.gz HVNBVCZJFWKBKR-UHFFFAOYSA-N 2 2 280.372 -0.121 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CCCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000989670261 659606021 /nfs/dbraw/zinc/60/60/21/659606021.db2.gz QZWKLSOFPLZZQP-LBPRGKRZSA-N 2 2 282.388 -0.510 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CCCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000989670261 659606023 /nfs/dbraw/zinc/60/60/23/659606023.db2.gz QZWKLSOFPLZZQP-LBPRGKRZSA-N 2 2 282.388 -0.510 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000989669352 659606169 /nfs/dbraw/zinc/60/61/69/659606169.db2.gz BIWGLEGFEMXEDO-CYBMUJFWSA-N 2 2 296.415 -0.249 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000989669352 659606176 /nfs/dbraw/zinc/60/61/76/659606176.db2.gz BIWGLEGFEMXEDO-CYBMUJFWSA-N 2 2 296.415 -0.249 20 0 CBADLP CNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC000989661013 659606824 /nfs/dbraw/zinc/60/68/24/659606824.db2.gz FJTMOZODKVFECX-GFCCVEGCSA-N 2 2 282.388 -0.782 20 0 CBADLP CNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC000989661013 659606826 /nfs/dbraw/zinc/60/68/26/659606826.db2.gz FJTMOZODKVFECX-GFCCVEGCSA-N 2 2 282.388 -0.782 20 0 CBADLP CNC(=O)C[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000989661013 659606828 /nfs/dbraw/zinc/60/68/28/659606828.db2.gz FJTMOZODKVFECX-GFCCVEGCSA-N 2 2 282.388 -0.782 20 0 CBADLP CNC(=O)C[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000989661013 659606831 /nfs/dbraw/zinc/60/68/31/659606831.db2.gz FJTMOZODKVFECX-GFCCVEGCSA-N 2 2 282.388 -0.782 20 0 CBADLP C[C@H]1C[C@@H]([NH2+]CCO)CN1C(=O)CCc1c[nH+]cn1C ZINC000989737408 659610895 /nfs/dbraw/zinc/61/08/95/659610895.db2.gz YKJVOTGEAWAUQT-NWDGAFQWSA-N 2 2 280.372 -0.076 20 0 CBADLP CNS(=O)(=O)CCC[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933740603 659735805 /nfs/dbraw/zinc/73/58/05/659735805.db2.gz MKJWYHIBQRWMJV-NWDGAFQWSA-N 2 2 275.418 -0.191 20 0 CBADLP CNS(=O)(=O)CCC[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933740603 659735807 /nfs/dbraw/zinc/73/58/07/659735807.db2.gz MKJWYHIBQRWMJV-NWDGAFQWSA-N 2 2 275.418 -0.191 20 0 CBADLP CNS(=O)(=O)CCC[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933740603 659735811 /nfs/dbraw/zinc/73/58/11/659735811.db2.gz MKJWYHIBQRWMJV-NWDGAFQWSA-N 2 2 275.418 -0.191 20 0 CBADLP CNS(=O)(=O)CCC[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933740603 659735813 /nfs/dbraw/zinc/73/58/13/659735813.db2.gz MKJWYHIBQRWMJV-NWDGAFQWSA-N 2 2 275.418 -0.191 20 0 CBADLP C[C@@](Cn1cccn1)([NH2+]CCn1cc[nH+]c1)C(N)=O ZINC000934220511 659785465 /nfs/dbraw/zinc/78/54/65/659785465.db2.gz DQSCHAQPSUIJHZ-LBPRGKRZSA-N 2 2 262.317 -0.387 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@@]12CCC[C@@H]1[N@H+](CCO)CC2 ZINC000992528652 659857235 /nfs/dbraw/zinc/85/72/35/659857235.db2.gz HJJKXDMQHMEZNO-GXTWGEPZSA-N 2 2 278.356 -0.011 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@@]12CCC[C@@H]1[N@@H+](CCO)CC2 ZINC000992528652 659857237 /nfs/dbraw/zinc/85/72/37/659857237.db2.gz HJJKXDMQHMEZNO-GXTWGEPZSA-N 2 2 278.356 -0.011 20 0 CBADLP NC(=O)C[N@@H+]1CC[C@@]2(NC(=O)Cn3cc[nH+]c3)CCC[C@@H]12 ZINC000992536092 659858368 /nfs/dbraw/zinc/85/83/68/659858368.db2.gz QWOIMKDWAUWBCN-RISCZKNCSA-N 2 2 291.355 -0.518 20 0 CBADLP NC(=O)C[N@H+]1CC[C@@]2(NC(=O)Cn3cc[nH+]c3)CCC[C@@H]12 ZINC000992536092 659858370 /nfs/dbraw/zinc/85/83/70/659858370.db2.gz QWOIMKDWAUWBCN-RISCZKNCSA-N 2 2 291.355 -0.518 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[N@H+](CC(N)=O)[C@@H]1C ZINC000993602873 659870027 /nfs/dbraw/zinc/87/00/27/659870027.db2.gz BLIZPHYYBGFPOF-NEPJUHHUSA-N 2 2 293.371 -0.354 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[N@@H+](CC(N)=O)[C@@H]1C ZINC000993602873 659870029 /nfs/dbraw/zinc/87/00/29/659870029.db2.gz BLIZPHYYBGFPOF-NEPJUHHUSA-N 2 2 293.371 -0.354 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCC[N@@H+]1CC(N)=O ZINC000994250853 659880000 /nfs/dbraw/zinc/88/00/00/659880000.db2.gz JOIPBDJANSLMJY-NEPJUHHUSA-N 2 2 294.399 -0.463 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCC[N@H+]1CC(N)=O ZINC000994250853 659880002 /nfs/dbraw/zinc/88/00/02/659880002.db2.gz JOIPBDJANSLMJY-NEPJUHHUSA-N 2 2 294.399 -0.463 20 0 CBADLP C[C@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCC[N@@H+]1CC(N)=O ZINC000994250863 659880355 /nfs/dbraw/zinc/88/03/55/659880355.db2.gz JOIPBDJANSLMJY-RYUDHWBXSA-N 2 2 294.399 -0.463 20 0 CBADLP C[C@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCC[N@H+]1CC(N)=O ZINC000994250863 659880357 /nfs/dbraw/zinc/88/03/57/659880357.db2.gz JOIPBDJANSLMJY-RYUDHWBXSA-N 2 2 294.399 -0.463 20 0 CBADLP C[C@H]1[C@H](NC(=O)C[NH+]2CCCC2)CCC[N@@H+]1CC(N)=O ZINC000994413779 659881442 /nfs/dbraw/zinc/88/14/42/659881442.db2.gz XMCFLQMQGCTHKL-NWDGAFQWSA-N 2 2 282.388 -0.463 20 0 CBADLP C[C@H]1[C@H](NC(=O)C[NH+]2CCCC2)CCC[N@H+]1CC(N)=O ZINC000994413779 659881443 /nfs/dbraw/zinc/88/14/43/659881443.db2.gz XMCFLQMQGCTHKL-NWDGAFQWSA-N 2 2 282.388 -0.463 20 0 CBADLP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1[NH2+]CCO ZINC000939209594 659884627 /nfs/dbraw/zinc/88/46/27/659884627.db2.gz HVGNJKZJNIXPKL-ONGXEEELSA-N 2 2 252.318 -0.619 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC000994910861 659886816 /nfs/dbraw/zinc/88/68/16/659886816.db2.gz CJEWKURFPOJLKJ-GFCCVEGCSA-N 2 2 291.355 -0.696 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC000994910861 659886818 /nfs/dbraw/zinc/88/68/18/659886818.db2.gz CJEWKURFPOJLKJ-GFCCVEGCSA-N 2 2 291.355 -0.696 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1C ZINC000942518320 659924086 /nfs/dbraw/zinc/92/40/86/659924086.db2.gz PXUOQZIOFBLZSJ-CMPLNLGQSA-N 2 2 293.371 -0.497 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1C ZINC000942518320 659924089 /nfs/dbraw/zinc/92/40/89/659924089.db2.gz PXUOQZIOFBLZSJ-CMPLNLGQSA-N 2 2 293.371 -0.497 20 0 CBADLP C[C@@H]1C[N@H+](CCO)CC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000943766616 659932205 /nfs/dbraw/zinc/93/22/05/659932205.db2.gz LPCKVZOOHANNSZ-GHMZBOCLSA-N 2 2 266.345 -0.229 20 0 CBADLP C[C@@H]1C[N@@H+](CCO)CC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000943766616 659932208 /nfs/dbraw/zinc/93/22/08/659932208.db2.gz LPCKVZOOHANNSZ-GHMZBOCLSA-N 2 2 266.345 -0.229 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](CC(N)=O)[C@H](C)C1 ZINC000947547266 659957629 /nfs/dbraw/zinc/95/76/29/659957629.db2.gz PTPKNFOKZUIITE-ZYHUDNBSSA-N 2 2 293.371 -0.354 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)[C@H](C)C1 ZINC000947547266 659957632 /nfs/dbraw/zinc/95/76/32/659957632.db2.gz PTPKNFOKZUIITE-ZYHUDNBSSA-N 2 2 293.371 -0.354 20 0 CBADLP C[C@@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@@H+]1CC(N)=O ZINC000948089292 659965774 /nfs/dbraw/zinc/96/57/74/659965774.db2.gz BUJWBNNHYXSZHI-MNOVXSKESA-N 2 2 279.344 -0.663 20 0 CBADLP C[C@@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@H+]1CC(N)=O ZINC000948089292 659965775 /nfs/dbraw/zinc/96/57/75/659965775.db2.gz BUJWBNNHYXSZHI-MNOVXSKESA-N 2 2 279.344 -0.663 20 0 CBADLP C[C@@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)CC[N@@H+]1CC(N)=O ZINC000948089291 659965948 /nfs/dbraw/zinc/96/59/48/659965948.db2.gz BUJWBNNHYXSZHI-GHMZBOCLSA-N 2 2 279.344 -0.663 20 0 CBADLP C[C@@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)CC[N@H+]1CC(N)=O ZINC000948089291 659965949 /nfs/dbraw/zinc/96/59/49/659965949.db2.gz BUJWBNNHYXSZHI-GHMZBOCLSA-N 2 2 279.344 -0.663 20 0 CBADLP C[N@H+](CCN1CC[NH2+]CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000037632059 790320756 /nfs/dbraw/zinc/32/07/56/790320756.db2.gz QLEXLTSHJANDGJ-LLVKDONJSA-N 2 2 261.391 -0.990 20 0 CBADLP C[N@@H+](CCN1CC[NH2+]CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000037632059 790320768 /nfs/dbraw/zinc/32/07/68/790320768.db2.gz QLEXLTSHJANDGJ-LLVKDONJSA-N 2 2 261.391 -0.990 20 0 CBADLP CN1CC[NH+](CCn2cc(C(C)(C)[NH3+])nn2)CC1 ZINC000214002753 790430091 /nfs/dbraw/zinc/43/00/91/790430091.db2.gz FGSZNMLKTOOSMR-UHFFFAOYSA-N 2 2 252.366 -0.281 20 0 CBADLP COCC[N@H+]1[C@H](C)CN(C(=O)[C@H]2C[NH+](C)CCO2)C[C@@H]1C ZINC000246405584 790448068 /nfs/dbraw/zinc/44/80/68/790448068.db2.gz YQMXFNSHHRPDTI-HZSPNIEDSA-N 2 2 299.415 -0.115 20 0 CBADLP COCC[N@@H+]1[C@H](C)CN(C(=O)[C@H]2C[NH+](C)CCO2)C[C@@H]1C ZINC000246405584 790448073 /nfs/dbraw/zinc/44/80/73/790448073.db2.gz YQMXFNSHHRPDTI-HZSPNIEDSA-N 2 2 299.415 -0.115 20 0 CBADLP COCC[NH+]1[C@H](C)CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@@H]1C ZINC000246405584 790448085 /nfs/dbraw/zinc/44/80/85/790448085.db2.gz YQMXFNSHHRPDTI-HZSPNIEDSA-N 2 2 299.415 -0.115 20 0 CBADLP COCC[NH+]1[C@H](C)CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@@H]1C ZINC000246405584 790448089 /nfs/dbraw/zinc/44/80/89/790448089.db2.gz YQMXFNSHHRPDTI-HZSPNIEDSA-N 2 2 299.415 -0.115 20 0 CBADLP CC(C)[C@@](C)([NH2+]C[C@@H](O)C[NH+]1CCCC1)C(N)=O ZINC000302626502 790469654 /nfs/dbraw/zinc/46/96/54/790469654.db2.gz BZGPXVUSLHAATH-DGCLKSJQSA-N 2 2 257.378 -0.067 20 0 CBADLP CCNC(=O)C(C)(C)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000313048040 790479210 /nfs/dbraw/zinc/47/92/10/790479210.db2.gz PJVPOJVULOPOPY-LLVKDONJSA-N 2 2 257.378 -0.054 20 0 CBADLP CCNC(=O)C(C)(C)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000313048040 790479220 /nfs/dbraw/zinc/47/92/20/790479220.db2.gz PJVPOJVULOPOPY-LLVKDONJSA-N 2 2 257.378 -0.054 20 0 CBADLP NC(=O)C1(O)CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000385689887 790543520 /nfs/dbraw/zinc/54/35/20/790543520.db2.gz DOIIROLNNFWMCI-UHFFFAOYSA-N 2 2 252.318 -0.415 20 0 CBADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1CC[C@@H](O)[C@@H](CO)C1 ZINC000396883550 790589254 /nfs/dbraw/zinc/58/92/54/790589254.db2.gz MJFDMJCIHFCGFL-FRRDWIJNSA-N 2 2 260.378 -0.636 20 0 CBADLP CC[NH+](CC)C[C@H](O)C[N@H+]1CC[C@@H](O)[C@@H](CO)C1 ZINC000396883550 790589265 /nfs/dbraw/zinc/58/92/65/790589265.db2.gz MJFDMJCIHFCGFL-FRRDWIJNSA-N 2 2 260.378 -0.636 20 0 CBADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@H]1CCN(S(C)(=O)=O)C1 ZINC000400147756 790602626 /nfs/dbraw/zinc/60/26/26/790602626.db2.gz DJXCNDBUFJKULN-GARJFASQSA-N 2 2 261.391 -0.250 20 0 CBADLP CS(=O)(=O)N1CCC[C@H]([NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)C1 ZINC000400206281 790603531 /nfs/dbraw/zinc/60/35/31/790603531.db2.gz HXVZZPJKUDQBKP-VZKILSJISA-N 2 2 299.440 -0.004 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000402805594 790611322 /nfs/dbraw/zinc/61/13/22/790611322.db2.gz KMHJMUVSNVJBRX-ZNMIVQPWSA-N 3 2 285.432 -0.014 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000402805594 790611328 /nfs/dbraw/zinc/61/13/28/790611328.db2.gz KMHJMUVSNVJBRX-ZNMIVQPWSA-N 3 2 285.432 -0.014 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000402805594 790611335 /nfs/dbraw/zinc/61/13/35/790611335.db2.gz KMHJMUVSNVJBRX-ZNMIVQPWSA-N 3 2 285.432 -0.014 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000402805594 790611340 /nfs/dbraw/zinc/61/13/40/790611340.db2.gz KMHJMUVSNVJBRX-ZNMIVQPWSA-N 3 2 285.432 -0.014 20 0 CBADLP C[N@@H+]1CCN(CCC[NH+]2CCOCC2)C[C@H]1CO ZINC000687588408 790652602 /nfs/dbraw/zinc/65/26/02/790652602.db2.gz AOMUOZJEEMUREQ-ZDUSSCGKSA-N 2 2 257.378 -0.683 20 0 CBADLP C[N@H+]1CCN(CCC[NH+]2CCOCC2)C[C@H]1CO ZINC000687588408 790652606 /nfs/dbraw/zinc/65/26/06/790652606.db2.gz AOMUOZJEEMUREQ-ZDUSSCGKSA-N 2 2 257.378 -0.683 20 0 CBADLP O=S1(=O)CCCN1CC[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000695115048 790687733 /nfs/dbraw/zinc/68/77/33/790687733.db2.gz MZZWCUHMZKWECN-LBPRGKRZSA-N 2 2 273.402 -0.293 20 0 CBADLP O=S1(=O)CCCN1CC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000695115048 790687738 /nfs/dbraw/zinc/68/77/38/790687738.db2.gz MZZWCUHMZKWECN-LBPRGKRZSA-N 2 2 273.402 -0.293 20 0 CBADLP C[C@H]1C[N@H+](CCN2CCCS2(=O)=O)CC[C@@H]1[NH3+] ZINC000695042660 790687123 /nfs/dbraw/zinc/68/71/23/790687123.db2.gz OHFFPCSZDUWVKP-QWRGUYRKSA-N 2 2 261.391 -0.309 20 0 CBADLP C[C@H]1C[N@@H+](CCN2CCCS2(=O)=O)CC[C@@H]1[NH3+] ZINC000695042660 790687125 /nfs/dbraw/zinc/68/71/25/790687125.db2.gz OHFFPCSZDUWVKP-QWRGUYRKSA-N 2 2 261.391 -0.309 20 0 CBADLP CC(C)[C@H]1C[N@H+](CC(=O)N2CC[NH2+]CC2)CCO1 ZINC000708884818 790736756 /nfs/dbraw/zinc/73/67/56/790736756.db2.gz LMLMHKJRMJAKLE-GFCCVEGCSA-N 2 2 255.362 -0.225 20 0 CBADLP CC(C)[C@H]1C[N@@H+](CC(=O)N2CC[NH2+]CC2)CCO1 ZINC000708884818 790736760 /nfs/dbraw/zinc/73/67/60/790736760.db2.gz LMLMHKJRMJAKLE-GFCCVEGCSA-N 2 2 255.362 -0.225 20 0 CBADLP C[NH+](C)CC1(O)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000710620268 790741133 /nfs/dbraw/zinc/74/11/33/790741133.db2.gz AZVNPSMYKMLSCP-UHFFFAOYSA-N 2 2 266.345 -0.202 20 0 CBADLP C[NH+](C)C[C@]1(O)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000713628447 790746738 /nfs/dbraw/zinc/74/67/38/790746738.db2.gz HXTMWARYWCTEKI-GFCCVEGCSA-N 2 2 252.318 -0.592 20 0 CBADLP C[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C)N1CC[NH2+]CC1=O ZINC000719445247 790760243 /nfs/dbraw/zinc/76/02/43/790760243.db2.gz VZLRTPPFQLSVSW-GMTAPVOTSA-N 2 2 268.361 -0.985 20 0 CBADLP C[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1C)N1CC[NH2+]CC1=O ZINC000719445247 790760254 /nfs/dbraw/zinc/76/02/54/790760254.db2.gz VZLRTPPFQLSVSW-GMTAPVOTSA-N 2 2 268.361 -0.985 20 0 CBADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCC(=O)N1CC[NH2+]CC1 ZINC000720514013 790765721 /nfs/dbraw/zinc/76/57/21/790765721.db2.gz SMMDJDAQNPJWNI-UONOGXRCSA-N 3 2 280.416 -0.023 20 0 CBADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCC(=O)N1CC[NH2+]CC1 ZINC000720514013 790765727 /nfs/dbraw/zinc/76/57/27/790765727.db2.gz SMMDJDAQNPJWNI-UONOGXRCSA-N 3 2 280.416 -0.023 20 0 CBADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCC(=O)N1CC[NH2+]CC1 ZINC000720514013 790765736 /nfs/dbraw/zinc/76/57/36/790765736.db2.gz SMMDJDAQNPJWNI-UONOGXRCSA-N 3 2 280.416 -0.023 20 0 CBADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2CCC(=O)N1CC[NH2+]CC1 ZINC000720514013 790765741 /nfs/dbraw/zinc/76/57/41/790765741.db2.gz SMMDJDAQNPJWNI-UONOGXRCSA-N 3 2 280.416 -0.023 20 0 CBADLP [NH3+]C[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@@H]1C(F)(F)F ZINC000720826276 790773017 /nfs/dbraw/zinc/77/30/17/790773017.db2.gz DQVNUQLTGAPYDQ-SFYZADRCSA-N 2 2 294.277 -0.393 20 0 CBADLP [NH3+]C[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1C(F)(F)F ZINC000720826276 790773023 /nfs/dbraw/zinc/77/30/23/790773023.db2.gz DQVNUQLTGAPYDQ-SFYZADRCSA-N 2 2 294.277 -0.393 20 0 CBADLP CN1C[C@@H](C(=O)NCC[NH+]2CCC([NH3+])CC2)CC1=O ZINC000721900997 790785331 /nfs/dbraw/zinc/78/53/31/790785331.db2.gz FYBLLDNTHJQELV-JTQLQIEISA-N 2 2 268.361 -0.996 20 0 CBADLP O[C@H](CN1CC[NH+]2CCC1CC2)C[NH+]1CCOCC1 ZINC000722785208 790797599 /nfs/dbraw/zinc/79/75/99/790797599.db2.gz IUVHTPPZLAMHJM-AWEZNQCLSA-N 2 2 269.389 -0.541 20 0 CBADLP C[C@H](O)[C@H](O)C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000820689815 790829095 /nfs/dbraw/zinc/82/90/95/790829095.db2.gz MFEHYVUMWDZGMR-MELADBBJSA-N 2 2 272.389 -0.085 20 0 CBADLP C[C@H](O)[C@H](O)C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000820689815 790829107 /nfs/dbraw/zinc/82/91/07/790829107.db2.gz MFEHYVUMWDZGMR-MELADBBJSA-N 2 2 272.389 -0.085 20 0 CBADLP C[C@H](O)[C@H](O)C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000820689813 790829829 /nfs/dbraw/zinc/82/98/29/790829829.db2.gz MFEHYVUMWDZGMR-BFHYXJOUSA-N 2 2 272.389 -0.085 20 0 CBADLP C[C@H](O)[C@H](O)C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000820689813 790829844 /nfs/dbraw/zinc/82/98/44/790829844.db2.gz MFEHYVUMWDZGMR-BFHYXJOUSA-N 2 2 272.389 -0.085 20 0 CBADLP C[C@@H](O)C[NH+]1CCN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)CC1 ZINC000821271073 790831164 /nfs/dbraw/zinc/83/11/64/790831164.db2.gz KYVFTJSHIUYQMA-TZMCWYRMSA-N 2 2 297.399 -0.768 20 0 CBADLP C[C@H](CC(=O)NC[C@@]1(CO)COCC[NH2+]1)n1cc[nH+]c1 ZINC000828697022 790886942 /nfs/dbraw/zinc/88/69/42/790886942.db2.gz CWPWPWNLJBOSOK-DGCLKSJQSA-N 2 2 282.344 -0.699 20 0 CBADLP CN(CC[N@H+](C)CCO)C(=O)CNc1cccc[nH+]1 ZINC000912598181 790914523 /nfs/dbraw/zinc/91/45/23/790914523.db2.gz DHVGFHPYHJKYHT-UHFFFAOYSA-N 2 2 266.345 -0.124 20 0 CBADLP CN(CC[N@@H+](C)CCO)C(=O)CNc1cccc[nH+]1 ZINC000912598181 790914532 /nfs/dbraw/zinc/91/45/32/790914532.db2.gz DHVGFHPYHJKYHT-UHFFFAOYSA-N 2 2 266.345 -0.124 20 0 CBADLP Cn1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)n1 ZINC001021895481 790966102 /nfs/dbraw/zinc/96/61/02/790966102.db2.gz NQPMAOXCVZPYGE-OUAUKWLOSA-N 2 2 293.375 -0.959 20 0 CBADLP Cn1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)n1 ZINC001021895481 790966108 /nfs/dbraw/zinc/96/61/08/790966108.db2.gz NQPMAOXCVZPYGE-OUAUKWLOSA-N 2 2 293.375 -0.959 20 0 CBADLP O=C(N[C@H]1C[C@@H]([NH2+]CCO)C1)[C@H]1CCc2[nH+]ccn2C1 ZINC001022311732 791003928 /nfs/dbraw/zinc/00/39/28/791003928.db2.gz WUDLTXCZOXYYNC-SDDRHHMPSA-N 2 2 278.356 -0.325 20 0 CBADLP O=C(N[C@H]1C[C@@H]([NH2+]CCO)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC001022303086 791004260 /nfs/dbraw/zinc/00/42/60/791004260.db2.gz ULJJUIOJXAADPR-SDDRHHMPSA-N 2 2 278.356 -0.325 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCF)C[C@H]2O)CC[N@@H+]1C ZINC001077028153 805674647 /nfs/dbraw/zinc/67/46/47/805674647.db2.gz YDYXISYNVZAHPY-UMSGYPCISA-N 2 2 287.379 -0.153 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCF)C[C@H]2O)CC[N@H+]1C ZINC001077028153 805674653 /nfs/dbraw/zinc/67/46/53/805674653.db2.gz YDYXISYNVZAHPY-UMSGYPCISA-N 2 2 287.379 -0.153 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CCF)C[C@H]2O)CC[NH+]1C ZINC001077028153 805674659 /nfs/dbraw/zinc/67/46/59/805674659.db2.gz YDYXISYNVZAHPY-UMSGYPCISA-N 2 2 287.379 -0.153 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CCF)C[C@H]2O)CC[NH+]1C ZINC001077028153 805674664 /nfs/dbraw/zinc/67/46/64/805674664.db2.gz YDYXISYNVZAHPY-UMSGYPCISA-N 2 2 287.379 -0.153 20 0 CBADLP CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001077399532 805724881 /nfs/dbraw/zinc/72/48/81/805724881.db2.gz NSPLNRXFILJKOE-TZMCWYRMSA-N 2 2 292.383 -0.057 20 0 CBADLP CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001077399532 805724888 /nfs/dbraw/zinc/72/48/88/805724888.db2.gz NSPLNRXFILJKOE-TZMCWYRMSA-N 2 2 292.383 -0.057 20 0 CBADLP COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001077677808 805766080 /nfs/dbraw/zinc/76/60/80/805766080.db2.gz CSKDOQPBUCPEEN-CHWSQXEVSA-N 2 2 299.415 -0.474 20 0 CBADLP COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001077677808 805766093 /nfs/dbraw/zinc/76/60/93/805766093.db2.gz CSKDOQPBUCPEEN-CHWSQXEVSA-N 2 2 299.415 -0.474 20 0 CBADLP COCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001077677808 805766098 /nfs/dbraw/zinc/76/60/98/805766098.db2.gz CSKDOQPBUCPEEN-CHWSQXEVSA-N 2 2 299.415 -0.474 20 0 CBADLP COCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001077677808 805766107 /nfs/dbraw/zinc/76/61/07/805766107.db2.gz CSKDOQPBUCPEEN-CHWSQXEVSA-N 2 2 299.415 -0.474 20 0 CBADLP COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001077893034 805801779 /nfs/dbraw/zinc/80/17/79/805801779.db2.gz WMSMRFJDHZLCDW-ZIAGYGMSSA-N 2 2 299.415 -0.474 20 0 CBADLP COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001077893034 805801787 /nfs/dbraw/zinc/80/17/87/805801787.db2.gz WMSMRFJDHZLCDW-ZIAGYGMSSA-N 2 2 299.415 -0.474 20 0 CBADLP COC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001078083306 805829742 /nfs/dbraw/zinc/82/97/42/805829742.db2.gz RBRABMQAYWXZAX-OASPWFOLSA-N 2 2 296.371 -0.543 20 0 CBADLP COC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001078083306 805829754 /nfs/dbraw/zinc/82/97/54/805829754.db2.gz RBRABMQAYWXZAX-OASPWFOLSA-N 2 2 296.371 -0.543 20 0 CBADLP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](C/C=C/Cl)C[C@H]2O)C1 ZINC001078175580 805850942 /nfs/dbraw/zinc/85/09/42/805850942.db2.gz BQXAXSDHJTVPDO-XNKWRXEVSA-N 2 2 287.791 -0.148 20 0 CBADLP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](C/C=C/Cl)C[C@H]2O)C1 ZINC001078175580 805850951 /nfs/dbraw/zinc/85/09/51/805850951.db2.gz BQXAXSDHJTVPDO-XNKWRXEVSA-N 2 2 287.791 -0.148 20 0 CBADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](C/C=C/Cl)C[C@H]2O)C1 ZINC001078175580 805850961 /nfs/dbraw/zinc/85/09/61/805850961.db2.gz BQXAXSDHJTVPDO-XNKWRXEVSA-N 2 2 287.791 -0.148 20 0 CBADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](C/C=C/Cl)C[C@H]2O)C1 ZINC001078175580 805850971 /nfs/dbraw/zinc/85/09/71/805850971.db2.gz BQXAXSDHJTVPDO-XNKWRXEVSA-N 2 2 287.791 -0.148 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@H]1O ZINC001078271997 805864823 /nfs/dbraw/zinc/86/48/23/805864823.db2.gz BPTHTHGPJGIRAN-JHJVBQTASA-N 2 2 294.355 -0.919 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@H]1O ZINC001078271997 805864832 /nfs/dbraw/zinc/86/48/32/805864832.db2.gz BPTHTHGPJGIRAN-JHJVBQTASA-N 2 2 294.355 -0.919 20 0 CBADLP COC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001078272463 805865814 /nfs/dbraw/zinc/86/58/14/805865814.db2.gz YDSDYBFDJJOXBE-QJPTWQEYSA-N 2 2 282.344 -0.921 20 0 CBADLP COC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001078272463 805865824 /nfs/dbraw/zinc/86/58/24/805865824.db2.gz YDSDYBFDJJOXBE-QJPTWQEYSA-N 2 2 282.344 -0.921 20 0 CBADLP NC(=O)C[NH2+][C@@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C12CCC2 ZINC001078829908 805891507 /nfs/dbraw/zinc/89/15/07/805891507.db2.gz NPJBORHLBFBRDY-MNOVXSKESA-N 2 2 291.355 -0.615 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@@H]([NH2+]CCO)C12CCC2 ZINC001078825613 805891720 /nfs/dbraw/zinc/89/17/20/805891720.db2.gz FEDJZAXREVTQJB-NEPJUHHUSA-N 2 2 278.356 -0.108 20 0 CBADLP COC[C@@H](C)[NH2+]CCNC(=O)Cc1c[nH+]cn1C ZINC001147907658 814926727 /nfs/dbraw/zinc/92/67/27/814926727.db2.gz HFKGEEPLZWXCOJ-SNVBAGLBSA-N 2 2 254.334 -0.297 20 0 CBADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CC(N)=O)C[C@H]1C ZINC001079805488 805946903 /nfs/dbraw/zinc/94/69/03/805946903.db2.gz STEKVAUHQXRVEA-JHJVBQTASA-N 2 2 296.415 -0.217 20 0 CBADLP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CC(N)=O)C[C@H]1C ZINC001079805488 805946907 /nfs/dbraw/zinc/94/69/07/805946907.db2.gz STEKVAUHQXRVEA-JHJVBQTASA-N 2 2 296.415 -0.217 20 0 CBADLP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C ZINC001079805488 805946912 /nfs/dbraw/zinc/94/69/12/805946912.db2.gz STEKVAUHQXRVEA-JHJVBQTASA-N 2 2 296.415 -0.217 20 0 CBADLP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C ZINC001079805488 805946916 /nfs/dbraw/zinc/94/69/16/805946916.db2.gz STEKVAUHQXRVEA-JHJVBQTASA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)C[NH+]1CCC[C@H]1C ZINC001080443094 805983149 /nfs/dbraw/zinc/98/31/49/805983149.db2.gz ZFKWFRUDIPGRCD-IJLUTSLNSA-N 2 2 282.388 -0.608 20 0 CBADLP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)C[NH+]1CCC[C@H]1C ZINC001080443094 805983157 /nfs/dbraw/zinc/98/31/57/805983157.db2.gz ZFKWFRUDIPGRCD-IJLUTSLNSA-N 2 2 282.388 -0.608 20 0 CBADLP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001080443094 805983161 /nfs/dbraw/zinc/98/31/61/805983161.db2.gz ZFKWFRUDIPGRCD-IJLUTSLNSA-N 2 2 282.388 -0.608 20 0 CBADLP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1NC(=O)C[N@H+]1CCC[C@H]1C ZINC001080443094 805983169 /nfs/dbraw/zinc/98/31/69/805983169.db2.gz ZFKWFRUDIPGRCD-IJLUTSLNSA-N 2 2 282.388 -0.608 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001080942844 806015949 /nfs/dbraw/zinc/01/59/49/806015949.db2.gz CHHCSTVTCHHYJC-JHJVBQTASA-N 2 2 296.415 -0.347 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001080942844 806015952 /nfs/dbraw/zinc/01/59/52/806015952.db2.gz CHHCSTVTCHHYJC-JHJVBQTASA-N 2 2 296.415 -0.347 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C ZINC001080947007 806018527 /nfs/dbraw/zinc/01/85/27/806018527.db2.gz VXIVFPZUNMCFEA-MWLCHTKSSA-N 2 2 279.344 -0.887 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C ZINC001080947007 806018536 /nfs/dbraw/zinc/01/85/36/806018536.db2.gz VXIVFPZUNMCFEA-MWLCHTKSSA-N 2 2 279.344 -0.887 20 0 CBADLP C[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001081037123 806022007 /nfs/dbraw/zinc/02/20/07/806022007.db2.gz XLTFSOMHSKFNHE-UTUOFQBUSA-N 2 2 291.355 -0.792 20 0 CBADLP C[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001081037123 806022017 /nfs/dbraw/zinc/02/20/17/806022017.db2.gz XLTFSOMHSKFNHE-UTUOFQBUSA-N 2 2 291.355 -0.792 20 0 CBADLP COCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001081037054 806023195 /nfs/dbraw/zinc/02/31/95/806023195.db2.gz REIRXKAGJWZWQP-VXGBXAGGSA-N 2 2 266.345 -0.034 20 0 CBADLP COCC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001081037054 806023205 /nfs/dbraw/zinc/02/32/05/806023205.db2.gz REIRXKAGJWZWQP-VXGBXAGGSA-N 2 2 266.345 -0.034 20 0 CBADLP COCC[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@H](OC)C1 ZINC001081949317 806134701 /nfs/dbraw/zinc/13/47/01/806134701.db2.gz JURLKSCNLMDQCT-CHWSQXEVSA-N 2 2 296.371 -0.347 20 0 CBADLP COCC[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@H](OC)C1 ZINC001081949317 806134704 /nfs/dbraw/zinc/13/47/04/806134704.db2.gz JURLKSCNLMDQCT-CHWSQXEVSA-N 2 2 296.371 -0.347 20 0 CBADLP CCc1noc(C[NH2+]CCNC(=O)C23CC[NH+](CC2)C3)n1 ZINC001147994921 814929296 /nfs/dbraw/zinc/92/92/96/814929296.db2.gz VNRPSKNTYDJPQE-UHFFFAOYSA-N 2 2 293.371 -0.066 20 0 CBADLP CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC001082345979 806167735 /nfs/dbraw/zinc/16/77/35/806167735.db2.gz KOYDOOHPTGCJAV-VXGBXAGGSA-N 2 2 282.344 -0.932 20 0 CBADLP CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC001082345979 806167741 /nfs/dbraw/zinc/16/77/41/806167741.db2.gz KOYDOOHPTGCJAV-VXGBXAGGSA-N 2 2 282.344 -0.932 20 0 CBADLP CO[C@@H]1C[N@H+](CCF)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001082368636 806169563 /nfs/dbraw/zinc/16/95/63/806169563.db2.gz JGJNRCNPDIDXBV-IJLUTSLNSA-N 2 2 273.352 -0.277 20 0 CBADLP CO[C@@H]1C[N@@H+](CCF)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001082368636 806169570 /nfs/dbraw/zinc/16/95/70/806169570.db2.gz JGJNRCNPDIDXBV-IJLUTSLNSA-N 2 2 273.352 -0.277 20 0 CBADLP CO[C@@H]1C[NH+](CCF)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001082368636 806169575 /nfs/dbraw/zinc/16/95/75/806169575.db2.gz JGJNRCNPDIDXBV-IJLUTSLNSA-N 2 2 273.352 -0.277 20 0 CBADLP CO[C@@H]1C[NH+](CCF)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001082368636 806169580 /nfs/dbraw/zinc/16/95/80/806169580.db2.gz JGJNRCNPDIDXBV-IJLUTSLNSA-N 2 2 273.352 -0.277 20 0 CBADLP CO[C@@H]1C[N@H+](CCCO)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001082395205 806172362 /nfs/dbraw/zinc/17/23/62/806172362.db2.gz CXODMJSZBPFNJB-VXGBXAGGSA-N 2 2 282.344 -0.919 20 0 CBADLP CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001082395205 806172367 /nfs/dbraw/zinc/17/23/67/806172367.db2.gz CXODMJSZBPFNJB-VXGBXAGGSA-N 2 2 282.344 -0.919 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1[NH2+]CCO ZINC001082604988 806187779 /nfs/dbraw/zinc/18/77/79/806187779.db2.gz NDIDKYMGLOUXKA-YRGRVCCFSA-N 2 2 292.383 -0.126 20 0 CBADLP C[C@@H](CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(N)=O)C1)n1cc[nH+]c1 ZINC001082771564 806192722 /nfs/dbraw/zinc/19/27/22/806192722.db2.gz HIZYSSZOYAZKIL-GRYCIOLGSA-N 2 2 293.371 -0.244 20 0 CBADLP CC[C@H]([NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C)C(N)=O ZINC001082767156 806193271 /nfs/dbraw/zinc/19/32/71/806193271.db2.gz YWEDFFJRZFGPHG-ADEWGFFLSA-N 2 2 293.371 -0.347 20 0 CBADLP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001082958040 806198799 /nfs/dbraw/zinc/19/87/99/806198799.db2.gz XJIWTBRZAIFQKB-IJLUTSLNSA-N 2 2 266.345 -0.300 20 0 CBADLP CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@H]2C1 ZINC001083035673 806216394 /nfs/dbraw/zinc/21/63/94/806216394.db2.gz ZIMPDPDKRFJNEW-MJBXVCDLSA-N 2 2 297.399 -0.361 20 0 CBADLP CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@H]2C1 ZINC001083035673 806216402 /nfs/dbraw/zinc/21/64/02/806216402.db2.gz ZIMPDPDKRFJNEW-MJBXVCDLSA-N 2 2 297.399 -0.361 20 0 CBADLP CCC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3C[N@H+](C)CCO3)[C@H]2C1 ZINC001083035673 806216411 /nfs/dbraw/zinc/21/64/11/806216411.db2.gz ZIMPDPDKRFJNEW-MJBXVCDLSA-N 2 2 297.399 -0.361 20 0 CBADLP CCC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)[C@H]2C1 ZINC001083035673 806216420 /nfs/dbraw/zinc/21/64/20/806216420.db2.gz ZIMPDPDKRFJNEW-MJBXVCDLSA-N 2 2 297.399 -0.361 20 0 CBADLP CC(C)[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@H]2C1 ZINC001083035016 806216528 /nfs/dbraw/zinc/21/65/28/806216528.db2.gz APFHHKUSPGDPLB-MJBXVCDLSA-N 2 2 297.399 -0.363 20 0 CBADLP CC(C)[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@H]2C1 ZINC001083035016 806216535 /nfs/dbraw/zinc/21/65/35/806216535.db2.gz APFHHKUSPGDPLB-MJBXVCDLSA-N 2 2 297.399 -0.363 20 0 CBADLP CC(C)[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3C[N@H+](C)CCO3)[C@H]2C1 ZINC001083035016 806216543 /nfs/dbraw/zinc/21/65/43/806216543.db2.gz APFHHKUSPGDPLB-MJBXVCDLSA-N 2 2 297.399 -0.363 20 0 CBADLP CC(C)[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)[C@H]2C1 ZINC001083035016 806216546 /nfs/dbraw/zinc/21/65/46/806216546.db2.gz APFHHKUSPGDPLB-MJBXVCDLSA-N 2 2 297.399 -0.363 20 0 CBADLP CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@@H](O)C1 ZINC001083580117 806369905 /nfs/dbraw/zinc/36/99/05/806369905.db2.gz QWHPWBSANKMUEJ-UHTWSYAYSA-N 2 2 278.356 -0.373 20 0 CBADLP CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@@H](O)C1 ZINC001083580117 806369912 /nfs/dbraw/zinc/36/99/12/806369912.db2.gz QWHPWBSANKMUEJ-UHTWSYAYSA-N 2 2 278.356 -0.373 20 0 CBADLP COC[C@H](C)[N@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001083954359 806468765 /nfs/dbraw/zinc/46/87/65/806468765.db2.gz WMTOSLDYALMRDG-UHTWSYAYSA-N 2 2 296.371 -0.841 20 0 CBADLP COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001083954359 806468768 /nfs/dbraw/zinc/46/87/68/806468768.db2.gz WMTOSLDYALMRDG-UHTWSYAYSA-N 2 2 296.371 -0.841 20 0 CBADLP O=C(N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083958074 806469928 /nfs/dbraw/zinc/46/99/28/806469928.db2.gz XVBIKCOBSHYNJN-SLNCZRTGSA-N 2 2 299.802 -0.004 20 0 CBADLP O=C(N[C@@H]1C[N@H+](C/C=C/Cl)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083958074 806469932 /nfs/dbraw/zinc/46/99/32/806469932.db2.gz XVBIKCOBSHYNJN-SLNCZRTGSA-N 2 2 299.802 -0.004 20 0 CBADLP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](C/C=C\Cl)C[C@@H]2O)C1 ZINC001084056524 806480363 /nfs/dbraw/zinc/48/03/63/806480363.db2.gz BQXAXSDHJTVPDO-JLGOBWOOSA-N 2 2 287.791 -0.148 20 0 CBADLP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](C/C=C\Cl)C[C@@H]2O)C1 ZINC001084056524 806480368 /nfs/dbraw/zinc/48/03/68/806480368.db2.gz BQXAXSDHJTVPDO-JLGOBWOOSA-N 2 2 287.791 -0.148 20 0 CBADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](C/C=C\Cl)C[C@@H]2O)C1 ZINC001084056524 806480371 /nfs/dbraw/zinc/48/03/71/806480371.db2.gz BQXAXSDHJTVPDO-JLGOBWOOSA-N 2 2 287.791 -0.148 20 0 CBADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](C/C=C\Cl)C[C@@H]2O)C1 ZINC001084056524 806480374 /nfs/dbraw/zinc/48/03/74/806480374.db2.gz BQXAXSDHJTVPDO-JLGOBWOOSA-N 2 2 287.791 -0.148 20 0 CBADLP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCF)C[C@@H]2O)C1 ZINC001084054095 806480415 /nfs/dbraw/zinc/48/04/15/806480415.db2.gz WJEWSNGXSXWTHW-MXWKQRLJSA-N 2 2 259.325 -0.931 20 0 CBADLP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCF)C[C@@H]2O)C1 ZINC001084054095 806480420 /nfs/dbraw/zinc/48/04/20/806480420.db2.gz WJEWSNGXSXWTHW-MXWKQRLJSA-N 2 2 259.325 -0.931 20 0 CBADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCF)C[C@@H]2O)C1 ZINC001084054095 806480423 /nfs/dbraw/zinc/48/04/23/806480423.db2.gz WJEWSNGXSXWTHW-MXWKQRLJSA-N 2 2 259.325 -0.931 20 0 CBADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCF)C[C@@H]2O)C1 ZINC001084054095 806480425 /nfs/dbraw/zinc/48/04/25/806480425.db2.gz WJEWSNGXSXWTHW-MXWKQRLJSA-N 2 2 259.325 -0.931 20 0 CBADLP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](C/C=C/Cl)C[C@@H]2O)C1 ZINC001084056525 806481917 /nfs/dbraw/zinc/48/19/17/806481917.db2.gz BQXAXSDHJTVPDO-YXAQTENYSA-N 2 2 287.791 -0.148 20 0 CBADLP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](C/C=C/Cl)C[C@@H]2O)C1 ZINC001084056525 806481921 /nfs/dbraw/zinc/48/19/21/806481921.db2.gz BQXAXSDHJTVPDO-YXAQTENYSA-N 2 2 287.791 -0.148 20 0 CBADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](C/C=C/Cl)C[C@@H]2O)C1 ZINC001084056525 806481925 /nfs/dbraw/zinc/48/19/25/806481925.db2.gz BQXAXSDHJTVPDO-YXAQTENYSA-N 2 2 287.791 -0.148 20 0 CBADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](C/C=C/Cl)C[C@@H]2O)C1 ZINC001084056525 806481930 /nfs/dbraw/zinc/48/19/30/806481930.db2.gz BQXAXSDHJTVPDO-YXAQTENYSA-N 2 2 287.791 -0.148 20 0 CBADLP C[C@@H](F)CC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001084114790 806488775 /nfs/dbraw/zinc/48/87/75/806488775.db2.gz GFQUOQHIUBXNKU-UTUOFQBUSA-N 2 2 284.335 -0.208 20 0 CBADLP C[C@@H](F)CC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001084114790 806488779 /nfs/dbraw/zinc/48/87/79/806488779.db2.gz GFQUOQHIUBXNKU-UTUOFQBUSA-N 2 2 284.335 -0.208 20 0 CBADLP CC(C)C[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001084115338 806491881 /nfs/dbraw/zinc/49/18/81/806491881.db2.gz JAQZLUFOYORMOG-NEPJUHHUSA-N 2 2 266.345 -0.300 20 0 CBADLP CC(C)C[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001084115338 806491885 /nfs/dbraw/zinc/49/18/85/806491885.db2.gz JAQZLUFOYORMOG-NEPJUHHUSA-N 2 2 266.345 -0.300 20 0 CBADLP COC[C@H](C)[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001084115553 806492609 /nfs/dbraw/zinc/49/26/09/806492609.db2.gz YDSDYBFDJJOXBE-TUAOUCFPSA-N 2 2 282.344 -0.921 20 0 CBADLP COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001084115553 806492612 /nfs/dbraw/zinc/49/26/12/806492612.db2.gz YDSDYBFDJJOXBE-TUAOUCFPSA-N 2 2 282.344 -0.921 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)N1C[C@H]2CC[N@@H+](CCO)C[C@H]21 ZINC001084806000 806537559 /nfs/dbraw/zinc/53/75/59/806537559.db2.gz RUABNQIARNPSCO-TZMCWYRMSA-N 2 2 292.383 -0.122 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1C[C@H]2CC[N@@H+](CCO)C[C@H]21 ZINC001084866606 806540515 /nfs/dbraw/zinc/54/05/15/806540515.db2.gz YVVBSPXKQXCUET-VXGBXAGGSA-N 2 2 264.329 -0.592 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1C[C@H]2CC[N@H+](CCO)C[C@H]21 ZINC001084866606 806540525 /nfs/dbraw/zinc/54/05/25/806540525.db2.gz YVVBSPXKQXCUET-VXGBXAGGSA-N 2 2 264.329 -0.592 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CCCC[C@H]1[NH2+]CCO ZINC001085346176 806553523 /nfs/dbraw/zinc/55/35/23/806553523.db2.gz JWFOCQMGHVJLGW-VXGBXAGGSA-N 2 2 266.345 -0.039 20 0 CBADLP COCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001085531087 806573091 /nfs/dbraw/zinc/57/30/91/806573091.db2.gz MDBHFYMJSTUKBS-STQMWFEESA-N 2 2 285.388 -0.504 20 0 CBADLP COCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001085531087 806573098 /nfs/dbraw/zinc/57/30/98/806573098.db2.gz MDBHFYMJSTUKBS-STQMWFEESA-N 2 2 285.388 -0.504 20 0 CBADLP COCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001085531087 806573105 /nfs/dbraw/zinc/57/31/05/806573105.db2.gz MDBHFYMJSTUKBS-STQMWFEESA-N 2 2 285.388 -0.504 20 0 CBADLP COCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001085531087 806573113 /nfs/dbraw/zinc/57/31/13/806573113.db2.gz MDBHFYMJSTUKBS-STQMWFEESA-N 2 2 285.388 -0.504 20 0 CBADLP CN(C[C@H]1CC[N@@H+]1CCO)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001085676406 806591931 /nfs/dbraw/zinc/59/19/31/806591931.db2.gz ORLGUTJFFGKTND-QWHCGFSZSA-N 2 2 292.383 -0.030 20 0 CBADLP CN(C[C@H]1CC[N@H+]1CCO)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001085676406 806591935 /nfs/dbraw/zinc/59/19/35/806591935.db2.gz ORLGUTJFFGKTND-QWHCGFSZSA-N 2 2 292.383 -0.030 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@@H]1CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001085927700 806622721 /nfs/dbraw/zinc/62/27/21/806622721.db2.gz FDKVXOKFQDEGHZ-NWDGAFQWSA-N 2 2 294.399 -0.511 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CC[C@@H]1CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001085927700 806622726 /nfs/dbraw/zinc/62/27/26/806622726.db2.gz FDKVXOKFQDEGHZ-NWDGAFQWSA-N 2 2 294.399 -0.511 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)N(C)C[C@@H]2CC[NH+]2CCOC)C1 ZINC001085980272 806630271 /nfs/dbraw/zinc/63/02/71/806630271.db2.gz MMOZTQZAJZGQKZ-KBPBESRZSA-N 2 2 299.415 -0.114 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)N(C)C[C@@H]2CC[NH+]2CCOC)C1 ZINC001085980272 806630278 /nfs/dbraw/zinc/63/02/78/806630278.db2.gz MMOZTQZAJZGQKZ-KBPBESRZSA-N 2 2 299.415 -0.114 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)N(C)C[C@@H]2CC[N@@H+]2CCOC)C1 ZINC001085980272 806630295 /nfs/dbraw/zinc/63/02/95/806630295.db2.gz MMOZTQZAJZGQKZ-KBPBESRZSA-N 2 2 299.415 -0.114 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)N(C)C[C@@H]2CC[N@H+]2CCOC)C1 ZINC001085980272 806630301 /nfs/dbraw/zinc/63/03/01/806630301.db2.gz MMOZTQZAJZGQKZ-KBPBESRZSA-N 2 2 299.415 -0.114 20 0 CBADLP C[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001022776034 798840308 /nfs/dbraw/zinc/84/03/08/798840308.db2.gz UIAAPSVSUSNVAY-BBBLOLIVSA-N 2 2 252.318 -0.430 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001022889518 798863235 /nfs/dbraw/zinc/86/32/35/798863235.db2.gz MAFMOCLJACDDJC-PHIMTYICSA-N 2 2 291.355 -0.579 20 0 CBADLP CN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)C1=O ZINC001022889723 798865767 /nfs/dbraw/zinc/86/57/67/798865767.db2.gz XNGPBIMLRJQRQJ-OUAUKWLOSA-N 2 2 291.355 -0.580 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001023025083 798874391 /nfs/dbraw/zinc/87/43/91/798874391.db2.gz UJUOXWGKHOMDTE-OUAUKWLOSA-N 2 2 291.355 -0.614 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@@H]([NH2+]CCO)C1 ZINC001023024894 798874477 /nfs/dbraw/zinc/87/44/77/798874477.db2.gz KUNLEYFPFMEWEZ-AOOOYVTPSA-N 2 2 252.318 -0.510 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H](C)O)C1 ZINC001023025041 798875015 /nfs/dbraw/zinc/87/50/15/798875015.db2.gz RSPKIMYOZPXYCX-IEBDPFPHSA-N 2 2 266.345 -0.122 20 0 CBADLP C[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001023161352 798887529 /nfs/dbraw/zinc/88/75/29/798887529.db2.gz WVDCIKILZPGNFS-GARJFASQSA-N 2 2 252.318 -0.499 20 0 CBADLP Cn1nncc1C[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001023159468 798888464 /nfs/dbraw/zinc/88/84/64/798888464.db2.gz XIWITGFGCFUNJT-PHIMTYICSA-N 2 2 289.343 -0.551 20 0 CBADLP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCC[NH+]2CC(N)=O)CC[N@@H+]1C ZINC001024446770 798938521 /nfs/dbraw/zinc/93/85/21/798938521.db2.gz IYTBYHIVQKLSAH-JHJVBQTASA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCC[NH+]2CC(N)=O)CC[N@H+]1C ZINC001024446770 798938526 /nfs/dbraw/zinc/93/85/26/798938526.db2.gz IYTBYHIVQKLSAH-JHJVBQTASA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCC[N@@H+]2CC(N)=O)CC[NH+]1C ZINC001024446770 798938531 /nfs/dbraw/zinc/93/85/31/798938531.db2.gz IYTBYHIVQKLSAH-JHJVBQTASA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCC[N@H+]2CC(N)=O)CC[NH+]1C ZINC001024446770 798938534 /nfs/dbraw/zinc/93/85/34/798938534.db2.gz IYTBYHIVQKLSAH-JHJVBQTASA-N 2 2 296.415 -0.217 20 0 CBADLP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1CC(N)=O ZINC001024514156 798940495 /nfs/dbraw/zinc/94/04/95/798940495.db2.gz WKUFFTQMWVFJQL-CHWSQXEVSA-N 2 2 296.415 -0.073 20 0 CBADLP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1CC(N)=O ZINC001024514156 798940497 /nfs/dbraw/zinc/94/04/97/798940497.db2.gz WKUFFTQMWVFJQL-CHWSQXEVSA-N 2 2 296.415 -0.073 20 0 CBADLP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CC(N)=O ZINC001024514156 798940500 /nfs/dbraw/zinc/94/05/00/798940500.db2.gz WKUFFTQMWVFJQL-CHWSQXEVSA-N 2 2 296.415 -0.073 20 0 CBADLP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1CC(N)=O ZINC001024514156 798940502 /nfs/dbraw/zinc/94/05/02/798940502.db2.gz WKUFFTQMWVFJQL-CHWSQXEVSA-N 2 2 296.415 -0.073 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2CC[C@@H]([NH2+]CCO)[C@@H]2C1 ZINC001026366983 799001308 /nfs/dbraw/zinc/00/13/08/799001308.db2.gz RSQAOBLBBSTODP-CYZMBNFOSA-N 2 2 278.356 -0.229 20 0 CBADLP NC(=O)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]21 ZINC001026388305 799002911 /nfs/dbraw/zinc/00/29/11/799002911.db2.gz LZSSGIINFVFHHM-HBNTYKKESA-N 2 2 291.355 -0.736 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2CC[C@@H]([NH2+]CCO)[C@H]2C1 ZINC001026401197 799003037 /nfs/dbraw/zinc/00/30/37/799003037.db2.gz VLBRDJCJJDSPJO-FPMFFAJLSA-N 2 2 292.383 -0.219 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001027091952 799030518 /nfs/dbraw/zinc/03/05/18/799030518.db2.gz XBRYKAMHVBWSGF-JQWIXIFHSA-N 2 2 291.355 -0.721 20 0 CBADLP C[C@H](C(N)=O)[N@H+](C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001027702278 799064696 /nfs/dbraw/zinc/06/46/96/799064696.db2.gz ZYHWITGLSLHHJV-VXGBXAGGSA-N 2 2 293.371 -0.320 20 0 CBADLP C[C@H](C(N)=O)[N@@H+](C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001027702278 799064699 /nfs/dbraw/zinc/06/46/99/799064699.db2.gz ZYHWITGLSLHHJV-VXGBXAGGSA-N 2 2 293.371 -0.320 20 0 CBADLP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CC[NH+](Cc3cnon3)C2)C1 ZINC001028987595 799184700 /nfs/dbraw/zinc/18/47/00/799184700.db2.gz ZCZZUKQXZZBCMA-NEPJUHHUSA-N 2 2 293.371 -0.041 20 0 CBADLP C[N@H+]1CC[C@H](C(=O)NC[C@H]2CC[NH+](Cc3cnon3)C2)C1 ZINC001028987595 799184702 /nfs/dbraw/zinc/18/47/02/799184702.db2.gz ZCZZUKQXZZBCMA-NEPJUHHUSA-N 2 2 293.371 -0.041 20 0 CBADLP C[NH+]1CC[C@H](C(=O)NC[C@H]2CC[N@H+](Cc3cnon3)C2)C1 ZINC001028987595 799184704 /nfs/dbraw/zinc/18/47/04/799184704.db2.gz ZCZZUKQXZZBCMA-NEPJUHHUSA-N 2 2 293.371 -0.041 20 0 CBADLP C[NH+]1CC[C@H](C(=O)NC[C@H]2CC[N@@H+](Cc3cnon3)C2)C1 ZINC001028987595 799184708 /nfs/dbraw/zinc/18/47/08/799184708.db2.gz ZCZZUKQXZZBCMA-NEPJUHHUSA-N 2 2 293.371 -0.041 20 0 CBADLP CC[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)C(N)=O)[NH+](C)C ZINC001029356224 799196637 /nfs/dbraw/zinc/19/66/37/799196637.db2.gz FZGRYHPWKVTTBV-FVCCEPFGSA-N 2 2 296.415 -0.124 20 0 CBADLP CC[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(N)=O)[NH+](C)C ZINC001029356224 799196638 /nfs/dbraw/zinc/19/66/38/799196638.db2.gz FZGRYHPWKVTTBV-FVCCEPFGSA-N 2 2 296.415 -0.124 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCCO ZINC001029607081 799203945 /nfs/dbraw/zinc/20/39/45/799203945.db2.gz RKUWKATUCXSGSQ-BETUJISGSA-N 2 2 278.356 -0.059 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCO ZINC001029607081 799203953 /nfs/dbraw/zinc/20/39/53/799203953.db2.gz RKUWKATUCXSGSQ-BETUJISGSA-N 2 2 278.356 -0.059 20 0 CBADLP CO[C@@H](C)C[NH+]1CC(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001030162644 799253560 /nfs/dbraw/zinc/25/35/60/799253560.db2.gz XSKFTRUXSXYVND-CMPLNLGQSA-N 2 2 255.362 -0.084 20 0 CBADLP CO[C@@H](C)C[NH+]1CC(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001030162644 799253562 /nfs/dbraw/zinc/25/35/62/799253562.db2.gz XSKFTRUXSXYVND-CMPLNLGQSA-N 2 2 255.362 -0.084 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)NC2C[NH+](CCC3CC3)C2)C1 ZINC001030180236 799257465 /nfs/dbraw/zinc/25/74/65/799257465.db2.gz MNGYZNZTKFPGEA-ZDUSSCGKSA-N 2 2 267.373 -0.083 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)NC2C[NH+](CCC3CC3)C2)C1 ZINC001030180236 799257467 /nfs/dbraw/zinc/25/74/67/799257467.db2.gz MNGYZNZTKFPGEA-ZDUSSCGKSA-N 2 2 267.373 -0.083 20 0 CBADLP CCCC[NH+]1CC(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001030180242 799257987 /nfs/dbraw/zinc/25/79/87/799257987.db2.gz MREDRRROUIMIDD-LBPRGKRZSA-N 2 2 255.362 -0.083 20 0 CBADLP CCCC[NH+]1CC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001030180242 799257989 /nfs/dbraw/zinc/25/79/89/799257989.db2.gz MREDRRROUIMIDD-LBPRGKRZSA-N 2 2 255.362 -0.083 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)NC2C[NH+](CC3CCOCC3)C2)C1 ZINC001030180410 799258128 /nfs/dbraw/zinc/25/81/28/799258128.db2.gz RDCNNJYYZADNOO-AWEZNQCLSA-N 2 2 297.399 -0.456 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)NC2C[NH+](CC3CCOCC3)C2)C1 ZINC001030180410 799258131 /nfs/dbraw/zinc/25/81/31/799258131.db2.gz RDCNNJYYZADNOO-AWEZNQCLSA-N 2 2 297.399 -0.456 20 0 CBADLP C[C@H](O)C[NH+]1CC(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001030323404 799297608 /nfs/dbraw/zinc/29/76/08/799297608.db2.gz LRKBYKWQGXKSQA-GXFFZTMASA-N 2 2 267.373 -0.491 20 0 CBADLP O=C(NC1C[NH+](CCCO)C1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001030345478 799300687 /nfs/dbraw/zinc/30/06/87/799300687.db2.gz FOSYHYWZFXSXHU-OLZOCXBDSA-N 2 2 283.372 -0.968 20 0 CBADLP O=C(NC1C[NH+](CCCO)C1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001030345478 799300693 /nfs/dbraw/zinc/30/06/93/799300693.db2.gz FOSYHYWZFXSXHU-OLZOCXBDSA-N 2 2 283.372 -0.968 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2C[NH+](C[C@@H]3CCOC3)C2)O1 ZINC001030516894 799330904 /nfs/dbraw/zinc/33/09/04/799330904.db2.gz MVOCSDGRLJEVAM-MBNYWOFBSA-N 2 2 297.399 -0.458 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2C[NH+](C[C@@H]3CCOC3)C2)O1 ZINC001030516894 799330914 /nfs/dbraw/zinc/33/09/14/799330914.db2.gz MVOCSDGRLJEVAM-MBNYWOFBSA-N 2 2 297.399 -0.458 20 0 CBADLP C[C@@H](O)C[NH+]1CC(NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001030705949 799364505 /nfs/dbraw/zinc/36/45/05/799364505.db2.gz QYMDKEAQARNZHY-NYXKVOKKSA-N 2 2 295.383 -0.969 20 0 CBADLP C[C@@H](O)C[NH+]1CC(NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001030705949 799364512 /nfs/dbraw/zinc/36/45/12/799364512.db2.gz QYMDKEAQARNZHY-NYXKVOKKSA-N 2 2 295.383 -0.969 20 0 CBADLP CO[C@@H](C)C[NH+]1CC(NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001030838124 799393384 /nfs/dbraw/zinc/39/33/84/799393384.db2.gz ACVRSRSKEMFLMP-JSGCOSHPSA-N 2 2 299.415 -0.069 20 0 CBADLP CO[C@@H](C)C[NH+]1CC(NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001030838124 799393391 /nfs/dbraw/zinc/39/33/91/799393391.db2.gz ACVRSRSKEMFLMP-JSGCOSHPSA-N 2 2 299.415 -0.069 20 0 CBADLP C[C@H]1CCC[N@@H+]1CC(=O)NC1C[NH+](CCCO)C1 ZINC001030955925 799415120 /nfs/dbraw/zinc/41/51/20/799415120.db2.gz OZQKDHBWIPBVSX-NSHDSACASA-N 2 2 255.362 -0.347 20 0 CBADLP C[C@H]1CCC[N@H+]1CC(=O)NC1C[NH+](CCCO)C1 ZINC001030955925 799415124 /nfs/dbraw/zinc/41/51/24/799415124.db2.gz OZQKDHBWIPBVSX-NSHDSACASA-N 2 2 255.362 -0.347 20 0 CBADLP C[C@H]1CC[N@H+](CC(=O)NC2C[NH+](CCCO)C2)C1 ZINC001030958742 799417059 /nfs/dbraw/zinc/41/70/59/799417059.db2.gz SAYLILHQCNONPH-NSHDSACASA-N 2 2 255.362 -0.489 20 0 CBADLP C[C@H]1CC[N@@H+](CC(=O)NC2C[NH+](CCCO)C2)C1 ZINC001030958742 799417061 /nfs/dbraw/zinc/41/70/61/799417061.db2.gz SAYLILHQCNONPH-NSHDSACASA-N 2 2 255.362 -0.489 20 0 CBADLP CC1CC[NH+](CC(=O)NC2C[NH+](CCCO)C2)CC1 ZINC001031142048 799449511 /nfs/dbraw/zinc/44/95/11/799449511.db2.gz HQIMILYGZZNSMT-UHFFFAOYSA-N 2 2 269.389 -0.099 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+]([C@H]2CCNC2=O)C1 ZINC001031579896 799512654 /nfs/dbraw/zinc/51/26/54/799512654.db2.gz OAKCFOYTJWJULJ-NEPJUHHUSA-N 2 2 280.372 -0.983 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+]([C@H]2CCNC2=O)C1 ZINC001031579896 799512656 /nfs/dbraw/zinc/51/26/56/799512656.db2.gz OAKCFOYTJWJULJ-NEPJUHHUSA-N 2 2 280.372 -0.983 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001031681348 799531851 /nfs/dbraw/zinc/53/18/51/799531851.db2.gz NRDPMCVBDCSDCG-CKYFFXLPSA-N 2 2 282.388 -0.752 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001031681348 799531856 /nfs/dbraw/zinc/53/18/56/799531856.db2.gz NRDPMCVBDCSDCG-CKYFFXLPSA-N 2 2 282.388 -0.752 20 0 CBADLP O=C(NCC1C[NH+](CCF)C1)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001031688688 799533430 /nfs/dbraw/zinc/53/34/30/799533430.db2.gz IXRGAASRMJFQSI-STQMWFEESA-N 2 2 285.363 -0.133 20 0 CBADLP O=C(NCC1C[NH+](CCF)C1)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001031688688 799533435 /nfs/dbraw/zinc/53/34/35/799533435.db2.gz IXRGAASRMJFQSI-STQMWFEESA-N 2 2 285.363 -0.133 20 0 CBADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+]([C@H](C)C(N)=O)C1 ZINC001031714753 799536652 /nfs/dbraw/zinc/53/66/52/799536652.db2.gz MBAUOQULPRLXNT-DGCLKSJQSA-N 2 2 296.415 -0.217 20 0 CBADLP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+]([C@H](C)C(N)=O)C1 ZINC001031714753 799536656 /nfs/dbraw/zinc/53/66/56/799536656.db2.gz MBAUOQULPRLXNT-DGCLKSJQSA-N 2 2 296.415 -0.217 20 0 CBADLP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+]([C@H](C)C(N)=O)C1 ZINC001031714755 799536958 /nfs/dbraw/zinc/53/69/58/799536958.db2.gz MBAUOQULPRLXNT-YPMHNXCESA-N 2 2 296.415 -0.217 20 0 CBADLP CCC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+]([C@H](C)C(N)=O)C1 ZINC001031714755 799536959 /nfs/dbraw/zinc/53/69/59/799536959.db2.gz MBAUOQULPRLXNT-YPMHNXCESA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001031772009 799542776 /nfs/dbraw/zinc/54/27/76/799542776.db2.gz LITIPKGUDITQBB-PWSUYJOCSA-N 2 2 282.388 -0.608 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001031772009 799542778 /nfs/dbraw/zinc/54/27/78/799542778.db2.gz LITIPKGUDITQBB-PWSUYJOCSA-N 2 2 282.388 -0.608 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001031772005 799542870 /nfs/dbraw/zinc/54/28/70/799542870.db2.gz LITIPKGUDITQBB-CMPLNLGQSA-N 2 2 282.388 -0.608 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001031772005 799542873 /nfs/dbraw/zinc/54/28/73/799542873.db2.gz LITIPKGUDITQBB-CMPLNLGQSA-N 2 2 282.388 -0.608 20 0 CBADLP C[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001031777203 799543603 /nfs/dbraw/zinc/54/36/03/799543603.db2.gz YHTZVSLFYZBPRK-QWHCGFSZSA-N 2 2 294.399 -0.593 20 0 CBADLP C[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001031777203 799543605 /nfs/dbraw/zinc/54/36/05/799543605.db2.gz YHTZVSLFYZBPRK-QWHCGFSZSA-N 2 2 294.399 -0.593 20 0 CBADLP C[C@@H](O)C[NH+]1CC(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001031778023 799543780 /nfs/dbraw/zinc/54/37/80/799543780.db2.gz HDMXYQNLMRYUGI-DGCLKSJQSA-N 2 2 292.383 -0.126 20 0 CBADLP CCC[N@@H+]1CCC[C@@H](C(=O)NCC2C[NH+](CC(N)=O)C2)C1 ZINC001031917230 799562138 /nfs/dbraw/zinc/56/21/38/799562138.db2.gz RNSYEPPUABNLAJ-CYBMUJFWSA-N 2 2 296.415 -0.358 20 0 CBADLP CCC[N@H+]1CCC[C@@H](C(=O)NCC2C[NH+](CC(N)=O)C2)C1 ZINC001031917230 799562142 /nfs/dbraw/zinc/56/21/42/799562142.db2.gz RNSYEPPUABNLAJ-CYBMUJFWSA-N 2 2 296.415 -0.358 20 0 CBADLP C[C@H]1C[C@@H](C(=O)NCC2C[NH+](CC(N)=O)C2)CC[N@@H+]1C ZINC001031921255 799562539 /nfs/dbraw/zinc/56/25/39/799562539.db2.gz LETPWBUXNIPZPX-JQWIXIFHSA-N 2 2 282.388 -0.750 20 0 CBADLP C[C@H]1C[C@@H](C(=O)NCC2C[NH+](CC(N)=O)C2)CC[N@H+]1C ZINC001031921255 799562542 /nfs/dbraw/zinc/56/25/42/799562542.db2.gz LETPWBUXNIPZPX-JQWIXIFHSA-N 2 2 282.388 -0.750 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001031925694 799563278 /nfs/dbraw/zinc/56/32/78/799563278.db2.gz LDKGTKXUQGOKOX-LOWVWBTDSA-N 2 2 296.415 -0.362 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001031925694 799563284 /nfs/dbraw/zinc/56/32/84/799563284.db2.gz LDKGTKXUQGOKOX-LOWVWBTDSA-N 2 2 296.415 -0.362 20 0 CBADLP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001032205591 799593960 /nfs/dbraw/zinc/59/39/60/799593960.db2.gz CIICXPBRYDYODC-LBPRGKRZSA-N 2 2 282.388 -0.606 20 0 CBADLP CC[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001032205591 799593962 /nfs/dbraw/zinc/59/39/62/799593962.db2.gz CIICXPBRYDYODC-LBPRGKRZSA-N 2 2 282.388 -0.606 20 0 CBADLP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H](CC)C(N)=O)[NH+](C)C ZINC001032474304 799632521 /nfs/dbraw/zinc/63/25/21/799632521.db2.gz UMLIHKQWJLILRM-WUHRBBMRSA-N 2 2 296.415 -0.124 20 0 CBADLP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H](CC)C(N)=O)[NH+](C)C ZINC001032474304 799632527 /nfs/dbraw/zinc/63/25/27/799632527.db2.gz UMLIHKQWJLILRM-WUHRBBMRSA-N 2 2 296.415 -0.124 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H](C)O ZINC001032521938 799637982 /nfs/dbraw/zinc/63/79/82/799637982.db2.gz NKKXANDXTBVYHE-AVGNSLFASA-N 2 2 278.356 -0.143 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@H](C)O ZINC001032521938 799637986 /nfs/dbraw/zinc/63/79/86/799637986.db2.gz NKKXANDXTBVYHE-AVGNSLFASA-N 2 2 278.356 -0.143 20 0 CBADLP O=C(CC[NH+]1CCOCC1)N1C[C@@H]2C[C@H]1C[N@H+]2CCCO ZINC001032684018 799655262 /nfs/dbraw/zinc/65/52/62/799655262.db2.gz AQCXDBKDXTXPDA-KBPBESRZSA-N 2 2 297.399 -0.624 20 0 CBADLP O=C(CC[NH+]1CCOCC1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCO ZINC001032684018 799655267 /nfs/dbraw/zinc/65/52/67/799655267.db2.gz AQCXDBKDXTXPDA-KBPBESRZSA-N 2 2 297.399 -0.624 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCO ZINC001032732440 799661450 /nfs/dbraw/zinc/66/14/50/799661450.db2.gz BUEQLRSZWUEUFP-RYUDHWBXSA-N 2 2 264.329 -0.760 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCO ZINC001032732440 799661461 /nfs/dbraw/zinc/66/14/61/799661461.db2.gz BUEQLRSZWUEUFP-RYUDHWBXSA-N 2 2 264.329 -0.760 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCO ZINC001032784876 799667886 /nfs/dbraw/zinc/66/78/86/799667886.db2.gz NDXZNLTWBOLVMB-IHRRRGAJSA-N 2 2 297.399 -0.768 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCO ZINC001032784876 799667894 /nfs/dbraw/zinc/66/78/94/799667894.db2.gz NDXZNLTWBOLVMB-IHRRRGAJSA-N 2 2 297.399 -0.768 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+]([C@@H]2CCCNC2=O)C1 ZINC001032828416 799674229 /nfs/dbraw/zinc/67/42/29/799674229.db2.gz AGORCXCDOOSVGC-YNEHKIRRSA-N 2 2 294.399 -0.450 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+]([C@@H]2CCCNC2=O)C1 ZINC001032828416 799674232 /nfs/dbraw/zinc/67/42/32/799674232.db2.gz AGORCXCDOOSVGC-YNEHKIRRSA-N 2 2 294.399 -0.450 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC001032828416 799674235 /nfs/dbraw/zinc/67/42/35/799674235.db2.gz AGORCXCDOOSVGC-YNEHKIRRSA-N 2 2 294.399 -0.450 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001032828416 799674239 /nfs/dbraw/zinc/67/42/39/799674239.db2.gz AGORCXCDOOSVGC-YNEHKIRRSA-N 2 2 294.399 -0.450 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001032838155 799677218 /nfs/dbraw/zinc/67/72/18/799677218.db2.gz LGCREBQYRICKKA-IJLUTSLNSA-N 2 2 280.372 -0.840 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+]([C@@H]2CCNC2=O)C1 ZINC001032838155 799677210 /nfs/dbraw/zinc/67/72/10/799677210.db2.gz LGCREBQYRICKKA-IJLUTSLNSA-N 2 2 280.372 -0.840 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+]([C@@H]2CCNC2=O)C1 ZINC001032838155 799677214 /nfs/dbraw/zinc/67/72/14/799677214.db2.gz LGCREBQYRICKKA-IJLUTSLNSA-N 2 2 280.372 -0.840 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001032838155 799677216 /nfs/dbraw/zinc/67/72/16/799677216.db2.gz LGCREBQYRICKKA-IJLUTSLNSA-N 2 2 280.372 -0.840 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001032839477 799678234 /nfs/dbraw/zinc/67/82/34/799678234.db2.gz GTCMUQYDWMMZGA-XQQFMLRXSA-N 2 2 296.415 -0.204 20 0 CBADLP CNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001032839477 799678235 /nfs/dbraw/zinc/67/82/35/799678235.db2.gz GTCMUQYDWMMZGA-XQQFMLRXSA-N 2 2 296.415 -0.204 20 0 CBADLP CNC(=O)[C@H](C)[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001032839477 799678237 /nfs/dbraw/zinc/67/82/37/799678237.db2.gz GTCMUQYDWMMZGA-XQQFMLRXSA-N 2 2 296.415 -0.204 20 0 CBADLP CNC(=O)[C@H](C)[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001032839477 799678238 /nfs/dbraw/zinc/67/82/38/799678238.db2.gz GTCMUQYDWMMZGA-XQQFMLRXSA-N 2 2 296.415 -0.204 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001032944482 799694922 /nfs/dbraw/zinc/69/49/22/799694922.db2.gz LERUUVCUMZFVQT-NWDGAFQWSA-N 2 2 282.388 -0.641 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001032944482 799694928 /nfs/dbraw/zinc/69/49/28/799694928.db2.gz LERUUVCUMZFVQT-NWDGAFQWSA-N 2 2 282.388 -0.641 20 0 CBADLP CNC(=O)C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001032944482 799694934 /nfs/dbraw/zinc/69/49/34/799694934.db2.gz LERUUVCUMZFVQT-NWDGAFQWSA-N 2 2 282.388 -0.641 20 0 CBADLP CNC(=O)C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001032944482 799694936 /nfs/dbraw/zinc/69/49/36/799694936.db2.gz LERUUVCUMZFVQT-NWDGAFQWSA-N 2 2 282.388 -0.641 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001032944486 799695071 /nfs/dbraw/zinc/69/50/71/799695071.db2.gz LERUUVCUMZFVQT-VXGBXAGGSA-N 2 2 282.388 -0.641 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001032944486 799695077 /nfs/dbraw/zinc/69/50/77/799695077.db2.gz LERUUVCUMZFVQT-VXGBXAGGSA-N 2 2 282.388 -0.641 20 0 CBADLP CNC(=O)C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001032944486 799695081 /nfs/dbraw/zinc/69/50/81/799695081.db2.gz LERUUVCUMZFVQT-VXGBXAGGSA-N 2 2 282.388 -0.641 20 0 CBADLP CNC(=O)C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001032944486 799695085 /nfs/dbraw/zinc/69/50/85/799695085.db2.gz LERUUVCUMZFVQT-VXGBXAGGSA-N 2 2 282.388 -0.641 20 0 CBADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001033073794 799714410 /nfs/dbraw/zinc/71/44/10/799714410.db2.gz SXRJOMJGEJQUNY-OLZOCXBDSA-N 2 2 296.415 -0.123 20 0 CBADLP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001033073794 799714412 /nfs/dbraw/zinc/71/44/12/799714412.db2.gz SXRJOMJGEJQUNY-OLZOCXBDSA-N 2 2 296.415 -0.123 20 0 CBADLP CC(C)[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033073794 799714414 /nfs/dbraw/zinc/71/44/14/799714414.db2.gz SXRJOMJGEJQUNY-OLZOCXBDSA-N 2 2 296.415 -0.123 20 0 CBADLP CC(C)[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033073794 799714416 /nfs/dbraw/zinc/71/44/16/799714416.db2.gz SXRJOMJGEJQUNY-OLZOCXBDSA-N 2 2 296.415 -0.123 20 0 CBADLP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001033127584 799718623 /nfs/dbraw/zinc/71/86/23/799718623.db2.gz WGKAUYQCMJYPQQ-OLZOCXBDSA-N 2 2 296.415 -0.121 20 0 CBADLP CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001033127584 799718628 /nfs/dbraw/zinc/71/86/28/799718628.db2.gz WGKAUYQCMJYPQQ-OLZOCXBDSA-N 2 2 296.415 -0.121 20 0 CBADLP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033127584 799718632 /nfs/dbraw/zinc/71/86/32/799718632.db2.gz WGKAUYQCMJYPQQ-OLZOCXBDSA-N 2 2 296.415 -0.121 20 0 CBADLP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033127584 799718635 /nfs/dbraw/zinc/71/86/35/799718635.db2.gz WGKAUYQCMJYPQQ-OLZOCXBDSA-N 2 2 296.415 -0.121 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001033197189 799724049 /nfs/dbraw/zinc/72/40/49/799724049.db2.gz HHEYJYLKMXGYKA-OLZOCXBDSA-N 2 2 296.415 -0.251 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001033197189 799724050 /nfs/dbraw/zinc/72/40/50/799724050.db2.gz HHEYJYLKMXGYKA-OLZOCXBDSA-N 2 2 296.415 -0.251 20 0 CBADLP CNC(=O)C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001033197189 799724051 /nfs/dbraw/zinc/72/40/51/799724051.db2.gz HHEYJYLKMXGYKA-OLZOCXBDSA-N 2 2 296.415 -0.251 20 0 CBADLP CNC(=O)C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001033197189 799724052 /nfs/dbraw/zinc/72/40/52/799724052.db2.gz HHEYJYLKMXGYKA-OLZOCXBDSA-N 2 2 296.415 -0.251 20 0 CBADLP CN(C(=O)C12CCC[NH+]1CCC2)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033228164 799730455 /nfs/dbraw/zinc/73/04/55/799730455.db2.gz JCURGXCUSNADQU-GFCCVEGCSA-N 2 2 294.399 -0.367 20 0 CBADLP CN(C(=O)C12CCC[NH+]1CCC2)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033228164 799730457 /nfs/dbraw/zinc/73/04/57/799730457.db2.gz JCURGXCUSNADQU-GFCCVEGCSA-N 2 2 294.399 -0.367 20 0 CBADLP CN(C(=O)CC1CC[NH+](C)CC1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033475328 799756244 /nfs/dbraw/zinc/75/62/44/799756244.db2.gz OMZVBAWPMYKCDP-CYBMUJFWSA-N 2 2 296.415 -0.264 20 0 CBADLP CN(C(=O)CC1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033475328 799756252 /nfs/dbraw/zinc/75/62/52/799756252.db2.gz OMZVBAWPMYKCDP-CYBMUJFWSA-N 2 2 296.415 -0.264 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001033454719 799756622 /nfs/dbraw/zinc/75/66/22/799756622.db2.gz GHSAAITVMROARE-NEPJUHHUSA-N 2 2 293.371 -0.251 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001033454719 799756628 /nfs/dbraw/zinc/75/66/28/799756628.db2.gz GHSAAITVMROARE-NEPJUHHUSA-N 2 2 293.371 -0.251 20 0 CBADLP CN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033596397 799769983 /nfs/dbraw/zinc/76/99/83/799769983.db2.gz ZMKIWHFBRUDPTM-LLVKDONJSA-N 2 2 280.372 -0.900 20 0 CBADLP CN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033596397 799769986 /nfs/dbraw/zinc/76/99/86/799769986.db2.gz ZMKIWHFBRUDPTM-LLVKDONJSA-N 2 2 280.372 -0.900 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033656768 799775800 /nfs/dbraw/zinc/77/58/00/799775800.db2.gz FDSDFZAUTGHGDS-LBPRGKRZSA-N 2 2 282.388 -0.639 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033656768 799775805 /nfs/dbraw/zinc/77/58/05/799775805.db2.gz FDSDFZAUTGHGDS-LBPRGKRZSA-N 2 2 282.388 -0.639 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033659512 799777903 /nfs/dbraw/zinc/77/79/03/799777903.db2.gz YAFCPYDDKWGCCC-VXGBXAGGSA-N 2 2 282.388 -0.511 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033659512 799777904 /nfs/dbraw/zinc/77/79/04/799777904.db2.gz YAFCPYDDKWGCCC-VXGBXAGGSA-N 2 2 282.388 -0.511 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N(C)[C@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001033667667 799777953 /nfs/dbraw/zinc/77/79/53/799777953.db2.gz IYVFIXXQFCDMKF-JQWIXIFHSA-N 2 2 293.371 -0.402 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N(C)[C@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001033667667 799777955 /nfs/dbraw/zinc/77/79/55/799777955.db2.gz IYVFIXXQFCDMKF-JQWIXIFHSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@@H](O)C[N@@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001033701397 799782426 /nfs/dbraw/zinc/78/24/26/799782426.db2.gz CTVJVSCDRVPLBZ-VXGBXAGGSA-N 2 2 266.345 -0.203 20 0 CBADLP C[C@@H](O)C[N@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001033701397 799782429 /nfs/dbraw/zinc/78/24/29/799782429.db2.gz CTVJVSCDRVPLBZ-VXGBXAGGSA-N 2 2 266.345 -0.203 20 0 CBADLP CN(C(=O)Cn1cc[nH+]c1)[C@H]1CC[N@H+](CCO)C1 ZINC001033703462 799782902 /nfs/dbraw/zinc/78/29/02/799782902.db2.gz FDNXPDWJYVDDOU-NSHDSACASA-N 2 2 252.318 -0.592 20 0 CBADLP CN(C(=O)Cn1cc[nH+]c1)[C@H]1CC[N@@H+](CCO)C1 ZINC001033703462 799782904 /nfs/dbraw/zinc/78/29/04/799782904.db2.gz FDNXPDWJYVDDOU-NSHDSACASA-N 2 2 252.318 -0.592 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001033703784 799782969 /nfs/dbraw/zinc/78/29/69/799782969.db2.gz HQVUGJYDOWQBNJ-RYUDHWBXSA-N 2 2 293.371 -0.320 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001033703784 799782972 /nfs/dbraw/zinc/78/29/72/799782972.db2.gz HQVUGJYDOWQBNJ-RYUDHWBXSA-N 2 2 293.371 -0.320 20 0 CBADLP CCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@H]1CC[N@H+](CCOC)C1 ZINC001033788646 799790660 /nfs/dbraw/zinc/79/06/60/799790660.db2.gz JGRNMRYQPCTRGL-UONOGXRCSA-N 2 2 299.415 -0.114 20 0 CBADLP CCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@H]1CC[N@@H+](CCOC)C1 ZINC001033788646 799790661 /nfs/dbraw/zinc/79/06/61/799790661.db2.gz JGRNMRYQPCTRGL-UONOGXRCSA-N 2 2 299.415 -0.114 20 0 CBADLP CCN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@H]1CC[NH+](CCOC)C1 ZINC001033788646 799790665 /nfs/dbraw/zinc/79/06/65/799790665.db2.gz JGRNMRYQPCTRGL-UONOGXRCSA-N 2 2 299.415 -0.114 20 0 CBADLP CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@H]1CC[NH+](CCOC)C1 ZINC001033788646 799790668 /nfs/dbraw/zinc/79/06/68/799790668.db2.gz JGRNMRYQPCTRGL-UONOGXRCSA-N 2 2 299.415 -0.114 20 0 CBADLP CCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033926354 799799966 /nfs/dbraw/zinc/79/99/66/799799966.db2.gz BRFHUTSTIMGZPZ-STQMWFEESA-N 2 2 296.415 -0.121 20 0 CBADLP CCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033926354 799799969 /nfs/dbraw/zinc/79/99/69/799799969.db2.gz BRFHUTSTIMGZPZ-STQMWFEESA-N 2 2 296.415 -0.121 20 0 CBADLP CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@H]1CC[NH+](CC(N)=O)C1 ZINC001033926354 799799970 /nfs/dbraw/zinc/79/99/70/799799970.db2.gz BRFHUTSTIMGZPZ-STQMWFEESA-N 2 2 296.415 -0.121 20 0 CBADLP CCN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@H]1CC[NH+](CC(N)=O)C1 ZINC001033926354 799799972 /nfs/dbraw/zinc/79/99/72/799799972.db2.gz BRFHUTSTIMGZPZ-STQMWFEESA-N 2 2 296.415 -0.121 20 0 CBADLP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001034041424 799808677 /nfs/dbraw/zinc/80/86/77/799808677.db2.gz DGOQVFAGDYUUPZ-NEPJUHHUSA-N 2 2 282.388 -0.654 20 0 CBADLP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001034041424 799808685 /nfs/dbraw/zinc/80/86/85/799808685.db2.gz DGOQVFAGDYUUPZ-NEPJUHHUSA-N 2 2 282.388 -0.654 20 0 CBADLP CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](CC(N)=O)C1 ZINC001034041424 799808692 /nfs/dbraw/zinc/80/86/92/799808692.db2.gz DGOQVFAGDYUUPZ-NEPJUHHUSA-N 2 2 282.388 -0.654 20 0 CBADLP CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](CC(N)=O)C1 ZINC001034041424 799808695 /nfs/dbraw/zinc/80/86/95/799808695.db2.gz DGOQVFAGDYUUPZ-NEPJUHHUSA-N 2 2 282.388 -0.654 20 0 CBADLP COCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001034148934 799814657 /nfs/dbraw/zinc/81/46/57/799814657.db2.gz QPLSTWFLAVOODC-KGLIPLIRSA-N 2 2 299.415 -0.066 20 0 CBADLP COCC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001034148934 799814664 /nfs/dbraw/zinc/81/46/64/799814664.db2.gz QPLSTWFLAVOODC-KGLIPLIRSA-N 2 2 299.415 -0.066 20 0 CBADLP COCC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001034148934 799814672 /nfs/dbraw/zinc/81/46/72/799814672.db2.gz QPLSTWFLAVOODC-KGLIPLIRSA-N 2 2 299.415 -0.066 20 0 CBADLP COCC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001034148934 799814680 /nfs/dbraw/zinc/81/46/80/799814680.db2.gz QPLSTWFLAVOODC-KGLIPLIRSA-N 2 2 299.415 -0.066 20 0 CBADLP CNC(=O)C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001034129120 799816103 /nfs/dbraw/zinc/81/61/03/799816103.db2.gz AHHUXMGJSUMWPE-QWHCGFSZSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001034129120 799816110 /nfs/dbraw/zinc/81/61/10/799816110.db2.gz AHHUXMGJSUMWPE-QWHCGFSZSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001034129120 799816118 /nfs/dbraw/zinc/81/61/18/799816118.db2.gz AHHUXMGJSUMWPE-QWHCGFSZSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001034129120 799816121 /nfs/dbraw/zinc/81/61/21/799816121.db2.gz AHHUXMGJSUMWPE-QWHCGFSZSA-N 2 2 296.415 -0.203 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CCCC[N@@H+](CCO)C1 ZINC001034548285 799846887 /nfs/dbraw/zinc/84/68/87/799846887.db2.gz BUBDXNZNPVYMQK-GFCCVEGCSA-N 2 2 266.345 -0.154 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CCCC[N@H+](CCO)C1 ZINC001034548285 799846889 /nfs/dbraw/zinc/84/68/89/799846889.db2.gz BUBDXNZNPVYMQK-GFCCVEGCSA-N 2 2 266.345 -0.154 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCC[N@H+](CC(N)=O)C1 ZINC001034529450 799847474 /nfs/dbraw/zinc/84/74/74/799847474.db2.gz HKCQFFPVSXIMOT-GFCCVEGCSA-N 2 2 293.371 -0.352 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCC[N@@H+](CC(N)=O)C1 ZINC001034529450 799847481 /nfs/dbraw/zinc/84/74/81/799847481.db2.gz HKCQFFPVSXIMOT-GFCCVEGCSA-N 2 2 293.371 -0.352 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[C@H]([NH2+]CCO)CC1 ZINC001034802008 799858022 /nfs/dbraw/zinc/85/80/22/799858022.db2.gz UCGICMMKOLPWJI-HAQNSBGRSA-N 2 2 266.345 -0.108 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N1CCC[C@@H]1C[NH2+][C@@H]1CCNC1=O ZINC001035086342 799868376 /nfs/dbraw/zinc/86/83/76/799868376.db2.gz LXBWXHTUKLWKTR-GHMZBOCLSA-N 2 2 291.355 -0.579 20 0 CBADLP CCC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001035329098 799892955 /nfs/dbraw/zinc/89/29/55/799892955.db2.gz ZKLDPKIKUNACEX-OLZOCXBDSA-N 2 2 285.388 -0.456 20 0 CBADLP CCC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001035329098 799892959 /nfs/dbraw/zinc/89/29/59/799892959.db2.gz ZKLDPKIKUNACEX-OLZOCXBDSA-N 2 2 285.388 -0.456 20 0 CBADLP CCC[NH+]1CCO[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001035329098 799892966 /nfs/dbraw/zinc/89/29/66/799892966.db2.gz ZKLDPKIKUNACEX-OLZOCXBDSA-N 2 2 285.388 -0.456 20 0 CBADLP CCC[NH+]1CCO[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001035329098 799892972 /nfs/dbraw/zinc/89/29/72/799892972.db2.gz ZKLDPKIKUNACEX-OLZOCXBDSA-N 2 2 285.388 -0.456 20 0 CBADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CCO)CCO1 ZINC001035360805 799906270 /nfs/dbraw/zinc/90/62/70/799906270.db2.gz GWAXYXYCAAEQBV-ZIAGYGMSSA-N 2 2 299.415 -0.332 20 0 CBADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CCO)CCO1 ZINC001035360805 799906273 /nfs/dbraw/zinc/90/62/73/799906273.db2.gz GWAXYXYCAAEQBV-ZIAGYGMSSA-N 2 2 299.415 -0.332 20 0 CBADLP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001035360805 799906277 /nfs/dbraw/zinc/90/62/77/799906277.db2.gz GWAXYXYCAAEQBV-ZIAGYGMSSA-N 2 2 299.415 -0.332 20 0 CBADLP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001035360805 799906280 /nfs/dbraw/zinc/90/62/80/799906280.db2.gz GWAXYXYCAAEQBV-ZIAGYGMSSA-N 2 2 299.415 -0.332 20 0 CBADLP COCC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001035418114 799916754 /nfs/dbraw/zinc/91/67/54/799916754.db2.gz WNOOHFPDALQQFZ-UONOGXRCSA-N 2 2 299.415 -0.066 20 0 CBADLP COCC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001035418114 799916755 /nfs/dbraw/zinc/91/67/55/799916755.db2.gz WNOOHFPDALQQFZ-UONOGXRCSA-N 2 2 299.415 -0.066 20 0 CBADLP COCC[NH+]1CCO[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001035418114 799916759 /nfs/dbraw/zinc/91/67/59/799916759.db2.gz WNOOHFPDALQQFZ-UONOGXRCSA-N 2 2 299.415 -0.066 20 0 CBADLP COCC[NH+]1CCO[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001035418114 799916764 /nfs/dbraw/zinc/91/67/64/799916764.db2.gz WNOOHFPDALQQFZ-UONOGXRCSA-N 2 2 299.415 -0.066 20 0 CBADLP COCC[N@@H+]1CCO[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001035580502 799948522 /nfs/dbraw/zinc/94/85/22/799948522.db2.gz WXCQDJRNPHOYKP-CYBMUJFWSA-N 2 2 297.399 -0.454 20 0 CBADLP COCC[N@H+]1CCO[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001035580502 799948532 /nfs/dbraw/zinc/94/85/32/799948532.db2.gz WXCQDJRNPHOYKP-CYBMUJFWSA-N 2 2 297.399 -0.454 20 0 CBADLP COCC[N@@H+]1CCO[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001035580503 799948891 /nfs/dbraw/zinc/94/88/91/799948891.db2.gz WXCQDJRNPHOYKP-ZDUSSCGKSA-N 2 2 297.399 -0.454 20 0 CBADLP COCC[N@H+]1CCO[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001035580503 799948896 /nfs/dbraw/zinc/94/88/96/799948896.db2.gz WXCQDJRNPHOYKP-ZDUSSCGKSA-N 2 2 297.399 -0.454 20 0 CBADLP CCC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001035606832 799951852 /nfs/dbraw/zinc/95/18/52/799951852.db2.gz IZHBSSWLASEJGZ-ZIAGYGMSSA-N 2 2 299.415 -0.066 20 0 CBADLP CCC[N@H+]1CCO[C@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001035606832 799951855 /nfs/dbraw/zinc/95/18/55/799951855.db2.gz IZHBSSWLASEJGZ-ZIAGYGMSSA-N 2 2 299.415 -0.066 20 0 CBADLP CCC[NH+]1CCO[C@H](CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001035606832 799951866 /nfs/dbraw/zinc/95/18/66/799951866.db2.gz IZHBSSWLASEJGZ-ZIAGYGMSSA-N 2 2 299.415 -0.066 20 0 CBADLP CCC[NH+]1CCO[C@H](CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001035606832 799951873 /nfs/dbraw/zinc/95/18/73/799951873.db2.gz IZHBSSWLASEJGZ-ZIAGYGMSSA-N 2 2 299.415 -0.066 20 0 CBADLP COCC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001035613327 799954039 /nfs/dbraw/zinc/95/40/39/799954039.db2.gz IPZBMPCMIJURKG-OLZOCXBDSA-N 2 2 285.388 -0.599 20 0 CBADLP COCC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001035613327 799954045 /nfs/dbraw/zinc/95/40/45/799954045.db2.gz IPZBMPCMIJURKG-OLZOCXBDSA-N 2 2 285.388 -0.599 20 0 CBADLP COCC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001035613327 799954053 /nfs/dbraw/zinc/95/40/53/799954053.db2.gz IPZBMPCMIJURKG-OLZOCXBDSA-N 2 2 285.388 -0.599 20 0 CBADLP COCC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001035613327 799954061 /nfs/dbraw/zinc/95/40/61/799954061.db2.gz IPZBMPCMIJURKG-OLZOCXBDSA-N 2 2 285.388 -0.599 20 0 CBADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@H]1[NH2+]CC(N)=O ZINC001036234885 799984211 /nfs/dbraw/zinc/98/42/11/799984211.db2.gz CSZFZGKVAMSEFK-NXEZZACHSA-N 2 2 279.344 -0.736 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]([NH2+]CC(N)=O)[C@@H](C)C1 ZINC001036276205 799985379 /nfs/dbraw/zinc/98/53/79/799985379.db2.gz RZIQCQKLXBJZNZ-GXSJLCMTSA-N 2 2 293.371 -0.427 20 0 CBADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@@H]1[NH2+]CCO ZINC001036315603 799987020 /nfs/dbraw/zinc/98/70/20/799987020.db2.gz XYHALHLVFFTPHQ-NEPJUHHUSA-N 2 2 266.345 -0.298 20 0 CBADLP NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@H]21 ZINC001036908690 800011406 /nfs/dbraw/zinc/01/14/06/800011406.db2.gz RGJKYWLUTXXFJW-VXGBXAGGSA-N 2 2 291.355 -0.709 20 0 CBADLP NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@H]21 ZINC001036908690 800011412 /nfs/dbraw/zinc/01/14/12/800011412.db2.gz RGJKYWLUTXXFJW-VXGBXAGGSA-N 2 2 291.355 -0.709 20 0 CBADLP CC[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@H]1[NH2+]CC(N)=O ZINC001037999410 800028408 /nfs/dbraw/zinc/02/84/08/800028408.db2.gz XLRAJIBVWCBJKL-NWDGAFQWSA-N 2 2 293.371 -0.415 20 0 CBADLP O=C(NC[C@H]1CC[N@H+]1CCO)[C@@H]1CCCc2[nH+]ccn21 ZINC001038345170 800100222 /nfs/dbraw/zinc/10/02/22/800100222.db2.gz JTDOFGOHKWSWDC-NEPJUHHUSA-N 2 2 278.356 -0.057 20 0 CBADLP O=C(NC[C@H]1CC[N@@H+]1CCO)[C@@H]1CCCc2[nH+]ccn21 ZINC001038345170 800100225 /nfs/dbraw/zinc/10/02/25/800100225.db2.gz JTDOFGOHKWSWDC-NEPJUHHUSA-N 2 2 278.356 -0.057 20 0 CBADLP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CCO ZINC001038406163 800106058 /nfs/dbraw/zinc/10/60/58/800106058.db2.gz AULQUJGHEPIUPN-VXGBXAGGSA-N 2 2 255.362 -0.347 20 0 CBADLP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CCO ZINC001038406163 800106063 /nfs/dbraw/zinc/10/60/63/800106063.db2.gz AULQUJGHEPIUPN-VXGBXAGGSA-N 2 2 255.362 -0.347 20 0 CBADLP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1CCO ZINC001038406163 800106072 /nfs/dbraw/zinc/10/60/72/800106072.db2.gz AULQUJGHEPIUPN-VXGBXAGGSA-N 2 2 255.362 -0.347 20 0 CBADLP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1CCO ZINC001038406163 800106077 /nfs/dbraw/zinc/10/60/77/800106077.db2.gz AULQUJGHEPIUPN-VXGBXAGGSA-N 2 2 255.362 -0.347 20 0 CBADLP O=C(NC[C@@H]1CC[N@H+]1CCO)[C@@H]1CCc2c[nH+]cn2C1 ZINC001038429885 800110081 /nfs/dbraw/zinc/11/00/81/800110081.db2.gz KNSONYYYLFVKJM-YPMHNXCESA-N 2 2 278.356 -0.372 20 0 CBADLP O=C(NC[C@@H]1CC[N@@H+]1CCO)[C@@H]1CCc2c[nH+]cn2C1 ZINC001038429885 800110086 /nfs/dbraw/zinc/11/00/86/800110086.db2.gz KNSONYYYLFVKJM-YPMHNXCESA-N 2 2 278.356 -0.372 20 0 CBADLP C[C@@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001038442907 800111411 /nfs/dbraw/zinc/11/14/11/800111411.db2.gz SBZHUIHCSMUIAL-GHMZBOCLSA-N 2 2 296.371 -0.079 20 0 CBADLP C[C@@H](O)C[N@H+]1CC[C@@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001038442907 800111414 /nfs/dbraw/zinc/11/14/14/800111414.db2.gz SBZHUIHCSMUIAL-GHMZBOCLSA-N 2 2 296.371 -0.079 20 0 CBADLP NC(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCCC1 ZINC001039470914 801295762 /nfs/dbraw/zinc/29/57/62/801295762.db2.gz ZMRNAALNMWLLDG-OLZOCXBDSA-N 2 2 294.399 -0.367 20 0 CBADLP NC(=O)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCCC1 ZINC001039470914 801295769 /nfs/dbraw/zinc/29/57/69/801295769.db2.gz ZMRNAALNMWLLDG-OLZOCXBDSA-N 2 2 294.399 -0.367 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@@]2(CC[N@@H+](CCO)C2)C1 ZINC001041758961 801418579 /nfs/dbraw/zinc/41/85/79/801418579.db2.gz OFKXRBFPAOVOBL-CQSZACIVSA-N 2 2 278.356 -0.131 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@@]2(CC[N@H+](CCO)C2)C1 ZINC001041758961 801418584 /nfs/dbraw/zinc/41/85/84/801418584.db2.gz OFKXRBFPAOVOBL-CQSZACIVSA-N 2 2 278.356 -0.131 20 0 CBADLP NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC001042380965 801460244 /nfs/dbraw/zinc/46/02/44/801460244.db2.gz XKVRTYPXCCLFEC-NEPJUHHUSA-N 2 2 291.355 -0.709 20 0 CBADLP NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC001042380965 801460248 /nfs/dbraw/zinc/46/02/48/801460248.db2.gz XKVRTYPXCCLFEC-NEPJUHHUSA-N 2 2 291.355 -0.709 20 0 CBADLP C[C@H](O)C[NH+]1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001042545554 801488841 /nfs/dbraw/zinc/48/88/41/801488841.db2.gz FESZYOXZPWLYFQ-JQWIXIFHSA-N 2 2 255.362 -0.396 20 0 CBADLP C[C@H](O)C[NH+]1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001042545554 801488846 /nfs/dbraw/zinc/48/88/46/801488846.db2.gz FESZYOXZPWLYFQ-JQWIXIFHSA-N 2 2 255.362 -0.396 20 0 CBADLP CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1C[NH+](CC2CC2)C1 ZINC001042573020 801494148 /nfs/dbraw/zinc/49/41/48/801494148.db2.gz CWQADXGOMKULOD-CYBMUJFWSA-N 2 2 267.373 -0.130 20 0 CBADLP CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1C[NH+](CC2CC2)C1 ZINC001042573020 801494152 /nfs/dbraw/zinc/49/41/52/801494152.db2.gz CWQADXGOMKULOD-CYBMUJFWSA-N 2 2 267.373 -0.130 20 0 CBADLP CN(C(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C1C[NH+](CCCO)C1 ZINC001042756919 801518274 /nfs/dbraw/zinc/51/82/74/801518274.db2.gz WFZGJVDLDAUKCW-TZMCWYRMSA-N 2 2 297.399 -0.625 20 0 CBADLP CN(C(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1)C1C[NH+](CCCO)C1 ZINC001042756919 801518281 /nfs/dbraw/zinc/51/82/81/801518281.db2.gz WFZGJVDLDAUKCW-TZMCWYRMSA-N 2 2 297.399 -0.625 20 0 CBADLP C[C@@H](O)C[NH+]1CC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001043071436 801539511 /nfs/dbraw/zinc/53/95/11/801539511.db2.gz YLCQPHZJWRIZHY-NQBHXWOUSA-N 2 2 285.388 -0.771 20 0 CBADLP C[C@@H](O)C[NH+]1CC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001043071436 801539515 /nfs/dbraw/zinc/53/95/15/801539515.db2.gz YLCQPHZJWRIZHY-NQBHXWOUSA-N 2 2 285.388 -0.771 20 0 CBADLP C[C@H](O)C[NH+]1CC(N(C)C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001043869639 801598077 /nfs/dbraw/zinc/59/80/77/801598077.db2.gz MEKLRKUMYKMJNQ-NEPJUHHUSA-N 2 2 269.389 -0.006 20 0 CBADLP C[C@H](O)C[NH+]1CC(N(C)C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001043869639 801598080 /nfs/dbraw/zinc/59/80/80/801598080.db2.gz MEKLRKUMYKMJNQ-NEPJUHHUSA-N 2 2 269.389 -0.006 20 0 CBADLP CN(C(=O)C12CC[NH+](CC1)C2)C1C[NH+](CCO)C1 ZINC001044192247 801627393 /nfs/dbraw/zinc/62/73/93/801627393.db2.gz SCIZILBUJFXGDG-UHFFFAOYSA-N 2 2 253.346 -0.783 20 0 CBADLP CN(C(=O)[C@H]1CC[N@H+](C)C1)C1C[NH+](CCn2cccn2)C1 ZINC001044292481 801636859 /nfs/dbraw/zinc/63/68/59/801636859.db2.gz NYXJIJIEXAAOIX-ZDUSSCGKSA-N 2 2 291.399 -0.023 20 0 CBADLP CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1C[NH+](CCn2cccn2)C1 ZINC001044292481 801636862 /nfs/dbraw/zinc/63/68/62/801636862.db2.gz NYXJIJIEXAAOIX-ZDUSSCGKSA-N 2 2 291.399 -0.023 20 0 CBADLP C[C@@H]1C[C@H]([NH2+]CCO)CCN1C(=O)Cc1c[nH+]cn1C ZINC001044819852 801671878 /nfs/dbraw/zinc/67/18/78/801671878.db2.gz NBWOVSBAZYJEOE-VXGBXAGGSA-N 2 2 280.372 -0.076 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)NC2(C)CC[NH+](CCO)CC2)C1 ZINC001045398277 801696495 /nfs/dbraw/zinc/69/64/95/801696495.db2.gz ZBVYZSUXESUMFE-LBPRGKRZSA-N 2 2 285.388 -0.720 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)NC2(C)CC[NH+](CCO)CC2)C1 ZINC001045398277 801696499 /nfs/dbraw/zinc/69/64/99/801696499.db2.gz ZBVYZSUXESUMFE-LBPRGKRZSA-N 2 2 285.388 -0.720 20 0 CBADLP CC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001046218855 801740376 /nfs/dbraw/zinc/74/03/76/801740376.db2.gz LWRRUXXRRONLPG-YPMHNXCESA-N 2 2 255.362 -0.083 20 0 CBADLP CC[N@H+]1CC[C@](C)(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001046218855 801740380 /nfs/dbraw/zinc/74/03/80/801740380.db2.gz LWRRUXXRRONLPG-YPMHNXCESA-N 2 2 255.362 -0.083 20 0 CBADLP CC[NH+]1CC[C@](C)(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001046218855 801740383 /nfs/dbraw/zinc/74/03/83/801740383.db2.gz LWRRUXXRRONLPG-YPMHNXCESA-N 2 2 255.362 -0.083 20 0 CBADLP CC[NH+]1CC[C@](C)(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001046218855 801740384 /nfs/dbraw/zinc/74/03/84/801740384.db2.gz LWRRUXXRRONLPG-YPMHNXCESA-N 2 2 255.362 -0.083 20 0 CBADLP COCC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001046215009 801741764 /nfs/dbraw/zinc/74/17/64/801741764.db2.gz KPXYWHBVTFHXLF-OCCSQVGLSA-N 2 2 285.388 -0.456 20 0 CBADLP COCC[N@H+]1CC[C@](C)(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001046215009 801741767 /nfs/dbraw/zinc/74/17/67/801741767.db2.gz KPXYWHBVTFHXLF-OCCSQVGLSA-N 2 2 285.388 -0.456 20 0 CBADLP COCC[NH+]1CC[C@](C)(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001046215009 801741770 /nfs/dbraw/zinc/74/17/70/801741770.db2.gz KPXYWHBVTFHXLF-OCCSQVGLSA-N 2 2 285.388 -0.456 20 0 CBADLP COCC[NH+]1CC[C@](C)(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001046215009 801741775 /nfs/dbraw/zinc/74/17/75/801741775.db2.gz KPXYWHBVTFHXLF-OCCSQVGLSA-N 2 2 285.388 -0.456 20 0 CBADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@]1(C)CC[NH+](CC(N)=O)C1 ZINC001046558360 801774872 /nfs/dbraw/zinc/77/48/72/801774872.db2.gz SQSAKOXTLTWVDV-FZMZJTMJSA-N 2 2 282.388 -0.463 20 0 CBADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@@]1(C)CC[NH+](CC(N)=O)C1 ZINC001046558360 801774876 /nfs/dbraw/zinc/77/48/76/801774876.db2.gz SQSAKOXTLTWVDV-FZMZJTMJSA-N 2 2 282.388 -0.463 20 0 CBADLP C[NH+]1CCCC[C@H]1C(=O)N[C@@]1(C)CC[N@H+](CC(N)=O)C1 ZINC001046558360 801774880 /nfs/dbraw/zinc/77/48/80/801774880.db2.gz SQSAKOXTLTWVDV-FZMZJTMJSA-N 2 2 282.388 -0.463 20 0 CBADLP C[NH+]1CCCC[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](CC(N)=O)C1 ZINC001046558360 801774884 /nfs/dbraw/zinc/77/48/84/801774884.db2.gz SQSAKOXTLTWVDV-FZMZJTMJSA-N 2 2 282.388 -0.463 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCO)C2 ZINC001047171666 801809234 /nfs/dbraw/zinc/80/92/34/801809234.db2.gz SIVFZYZRCKMZMD-TUAOUCFPSA-N 2 2 278.356 -0.086 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCO)C2 ZINC001047171666 801809241 /nfs/dbraw/zinc/80/92/41/801809241.db2.gz SIVFZYZRCKMZMD-TUAOUCFPSA-N 2 2 278.356 -0.086 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCO)C2 ZINC001047210453 801811123 /nfs/dbraw/zinc/81/11/23/801811123.db2.gz LKGNOFUEPGHUKV-AVGNSLFASA-N 2 2 278.356 -0.156 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCO)C2 ZINC001047210453 801811133 /nfs/dbraw/zinc/81/11/33/801811133.db2.gz LKGNOFUEPGHUKV-AVGNSLFASA-N 2 2 278.356 -0.156 20 0 CBADLP C[C@@H]1[C@H](C(=O)N(C)[C@H]2C[NH+](CCF)C[C@@H]2O)CC[N@@H+]1C ZINC001047386020 801858388 /nfs/dbraw/zinc/85/83/88/801858388.db2.gz JSZBOFZSOXDKQX-NDBYEHHHSA-N 2 2 287.379 -0.200 20 0 CBADLP C[C@@H]1[C@H](C(=O)N(C)[C@H]2C[NH+](CCF)C[C@@H]2O)CC[N@H+]1C ZINC001047386020 801858395 /nfs/dbraw/zinc/85/83/95/801858395.db2.gz JSZBOFZSOXDKQX-NDBYEHHHSA-N 2 2 287.379 -0.200 20 0 CBADLP C[C@@H]1[C@H](C(=O)N(C)[C@H]2C[N@H+](CCF)C[C@@H]2O)CC[NH+]1C ZINC001047386020 801858400 /nfs/dbraw/zinc/85/84/00/801858400.db2.gz JSZBOFZSOXDKQX-NDBYEHHHSA-N 2 2 287.379 -0.200 20 0 CBADLP C[C@@H]1[C@H](C(=O)N(C)[C@H]2C[N@@H+](CCF)C[C@@H]2O)CC[NH+]1C ZINC001047386020 801858407 /nfs/dbraw/zinc/85/84/07/801858407.db2.gz JSZBOFZSOXDKQX-NDBYEHHHSA-N 2 2 287.379 -0.200 20 0 CBADLP CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001047598179 801908771 /nfs/dbraw/zinc/90/87/71/801908771.db2.gz YVUBTNZPVKEBQE-RYUDHWBXSA-N 2 2 266.345 -0.514 20 0 CBADLP CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001047598179 801908779 /nfs/dbraw/zinc/90/87/79/801908779.db2.gz YVUBTNZPVKEBQE-RYUDHWBXSA-N 2 2 266.345 -0.514 20 0 CBADLP CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001047647487 801917679 /nfs/dbraw/zinc/91/76/79/801917679.db2.gz VUKPRMOBGPWCRJ-RYUDHWBXSA-N 2 2 266.345 -0.203 20 0 CBADLP CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001047647487 801917684 /nfs/dbraw/zinc/91/76/84/801917684.db2.gz VUKPRMOBGPWCRJ-RYUDHWBXSA-N 2 2 266.345 -0.203 20 0 CBADLP CN(C(=O)Cn1cc[nH+]c1)[C@H]1C[N@H+](CCCF)C[C@@H]1O ZINC001047647581 801918586 /nfs/dbraw/zinc/91/85/86/801918586.db2.gz YIYUGLSYANKZFR-RYUDHWBXSA-N 2 2 284.335 -0.254 20 0 CBADLP CN(C(=O)Cn1cc[nH+]c1)[C@H]1C[N@@H+](CCCF)C[C@@H]1O ZINC001047647581 801918591 /nfs/dbraw/zinc/91/85/91/801918591.db2.gz YIYUGLSYANKZFR-RYUDHWBXSA-N 2 2 284.335 -0.254 20 0 CBADLP O=C(CCc1[nH]cc[nH+]1)N1C[C@@H]2C[N@H+](CCO)C[C@@H]2C1 ZINC001048795000 801968129 /nfs/dbraw/zinc/96/81/29/801968129.db2.gz KXTIUSQEUPNBII-TXEJJXNPSA-N 2 2 278.356 -0.275 20 0 CBADLP O=C(CCc1[nH]cc[nH+]1)N1C[C@@H]2C[N@@H+](CCO)C[C@@H]2C1 ZINC001048795000 801968131 /nfs/dbraw/zinc/96/81/31/801968131.db2.gz KXTIUSQEUPNBII-TXEJJXNPSA-N 2 2 278.356 -0.275 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]2C[N@H+](CCCO)C[C@@H]2C1 ZINC001049131475 802000747 /nfs/dbraw/zinc/00/07/47/802000747.db2.gz OPIJLOQZMZXKLS-TXEJJXNPSA-N 2 2 278.356 -0.275 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]2C[N@@H+](CCCO)C[C@@H]2C1 ZINC001049131475 802000754 /nfs/dbraw/zinc/00/07/54/802000754.db2.gz OPIJLOQZMZXKLS-TXEJJXNPSA-N 2 2 278.356 -0.275 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]2C[N@H+](CCO)C[C@@H]2C1 ZINC001049132055 802001196 /nfs/dbraw/zinc/00/11/96/802001196.db2.gz VKHCBZHNQOHNCD-PHIMTYICSA-N 2 2 264.329 -0.665 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]2C[N@@H+](CCO)C[C@@H]2C1 ZINC001049132055 802001207 /nfs/dbraw/zinc/00/12/07/802001207.db2.gz VKHCBZHNQOHNCD-PHIMTYICSA-N 2 2 264.329 -0.665 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1C[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C1 ZINC001049248137 802009858 /nfs/dbraw/zinc/00/98/58/802009858.db2.gz NVXWQRTYKGFTNH-UTUOFQBUSA-N 2 2 291.355 -0.853 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C1 ZINC001049248137 802009866 /nfs/dbraw/zinc/00/98/66/802009866.db2.gz NVXWQRTYKGFTNH-UTUOFQBUSA-N 2 2 291.355 -0.853 20 0 CBADLP CC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001051245246 802130461 /nfs/dbraw/zinc/13/04/61/802130461.db2.gz KGMIFFNQSSLHDJ-VXGBXAGGSA-N 2 2 255.362 -0.225 20 0 CBADLP CC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001051245246 802130462 /nfs/dbraw/zinc/13/04/62/802130462.db2.gz KGMIFFNQSSLHDJ-VXGBXAGGSA-N 2 2 255.362 -0.225 20 0 CBADLP CC[NH+]1CCOC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001051245246 802130464 /nfs/dbraw/zinc/13/04/64/802130464.db2.gz KGMIFFNQSSLHDJ-VXGBXAGGSA-N 2 2 255.362 -0.225 20 0 CBADLP CC[NH+]1CCOC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001051245246 802130467 /nfs/dbraw/zinc/13/04/67/802130467.db2.gz KGMIFFNQSSLHDJ-VXGBXAGGSA-N 2 2 255.362 -0.225 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001052749193 802215716 /nfs/dbraw/zinc/21/57/16/802215716.db2.gz RWCYJDHROLAWCC-GHMZBOCLSA-N 2 2 293.371 -0.203 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001052749193 802215717 /nfs/dbraw/zinc/21/57/17/802215717.db2.gz RWCYJDHROLAWCC-GHMZBOCLSA-N 2 2 293.371 -0.203 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC2(C[NH+](CCO)C2)O1 ZINC001053583277 802269974 /nfs/dbraw/zinc/26/99/74/802269974.db2.gz WXFCUVODKAQPJX-OLZOCXBDSA-N 2 2 297.399 -0.578 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC2(C[NH+](CCO)C2)O1 ZINC001053583277 802269975 /nfs/dbraw/zinc/26/99/75/802269975.db2.gz WXFCUVODKAQPJX-OLZOCXBDSA-N 2 2 297.399 -0.578 20 0 CBADLP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CCC3(C[NH+](CCO)C3)O2)C1 ZINC001053698147 802274476 /nfs/dbraw/zinc/27/44/76/802274476.db2.gz DZHYKOAYIXKIOQ-CHWSQXEVSA-N 2 2 297.399 -0.720 20 0 CBADLP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCC3(C[NH+](CCO)C3)O2)C1 ZINC001053698147 802274484 /nfs/dbraw/zinc/27/44/84/802274484.db2.gz DZHYKOAYIXKIOQ-CHWSQXEVSA-N 2 2 297.399 -0.720 20 0 CBADLP CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)CO2 ZINC001053845377 802301931 /nfs/dbraw/zinc/30/19/31/802301931.db2.gz RQEWBACKGBETQY-JHJVBQTASA-N 2 2 297.399 -0.315 20 0 CBADLP CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)CO2 ZINC001053845377 802301938 /nfs/dbraw/zinc/30/19/38/802301938.db2.gz RQEWBACKGBETQY-JHJVBQTASA-N 2 2 297.399 -0.315 20 0 CBADLP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2COC3(C[NH+](CCO)C3)C2)C1 ZINC001053982186 802320124 /nfs/dbraw/zinc/32/01/24/802320124.db2.gz FQXONFKGOMSQKG-STQMWFEESA-N 2 2 297.399 -0.720 20 0 CBADLP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2COC3(C[NH+](CCO)C3)C2)C1 ZINC001053982186 802320132 /nfs/dbraw/zinc/32/01/32/802320132.db2.gz FQXONFKGOMSQKG-STQMWFEESA-N 2 2 297.399 -0.720 20 0 CBADLP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2COC3(C[NH+](CCO)C3)C2)C1 ZINC001053982184 802321577 /nfs/dbraw/zinc/32/15/77/802321577.db2.gz FQXONFKGOMSQKG-OLZOCXBDSA-N 2 2 297.399 -0.720 20 0 CBADLP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2COC3(C[NH+](CCO)C3)C2)C1 ZINC001053982184 802321588 /nfs/dbraw/zinc/32/15/88/802321588.db2.gz FQXONFKGOMSQKG-OLZOCXBDSA-N 2 2 297.399 -0.720 20 0 CBADLP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1[NH2+]CC(N)=O ZINC001054726954 802367566 /nfs/dbraw/zinc/36/75/66/802367566.db2.gz YVXONQKDFRRTAR-MWLCHTKSSA-N 2 2 279.344 -0.736 20 0 CBADLP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1[NH2+]CC(N)=O ZINC001054726954 802367573 /nfs/dbraw/zinc/36/75/73/802367573.db2.gz YVXONQKDFRRTAR-MWLCHTKSSA-N 2 2 279.344 -0.736 20 0 CBADLP CCN(C(=O)CN1CC[NH2+]CC1=O)[C@H]1CCC[NH2+]C1 ZINC001122610034 813180477 /nfs/dbraw/zinc/18/04/77/813180477.db2.gz POHCVOLSCBRLIA-NSHDSACASA-N 2 2 268.361 -0.981 20 0 CBADLP CCC[N@H+](C)CC(=O)NCC[NH2+]Cc1cnon1 ZINC001148642419 814954819 /nfs/dbraw/zinc/95/48/19/814954819.db2.gz HYXNWQVCEAWWFX-UHFFFAOYSA-N 2 2 255.322 -0.383 20 0 CBADLP CCC[N@@H+](C)CC(=O)NCC[NH2+]Cc1cnon1 ZINC001148642419 814954825 /nfs/dbraw/zinc/95/48/25/814954825.db2.gz HYXNWQVCEAWWFX-UHFFFAOYSA-N 2 2 255.322 -0.383 20 0 CBADLP CCN(CC)C(=O)C[NH2+]CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001149123500 814970774 /nfs/dbraw/zinc/97/07/74/814970774.db2.gz JNZCDEMWVWJCHP-UHFFFAOYSA-N 2 2 295.387 -0.165 20 0 CBADLP C[C@@H](C[NH2+]CCN1CCCC1=O)NC(=O)Cc1c[nH]c[nH+]1 ZINC001322003523 803850763 /nfs/dbraw/zinc/85/07/63/803850763.db2.gz XUNGXOGZLHSQLU-NSHDSACASA-N 2 2 293.371 -0.331 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+]CCn1cccn1 ZINC001149123577 814971027 /nfs/dbraw/zinc/97/10/27/814971027.db2.gz LWOZRCVYHHFEQP-UHFFFAOYSA-N 2 2 276.344 -0.137 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+]Cc1cnnn1C ZINC001149133732 814972271 /nfs/dbraw/zinc/97/22/71/814972271.db2.gz ALJXLDQRSZNFEI-UHFFFAOYSA-N 2 2 277.332 -0.705 20 0 CBADLP CN(CCC[NH2+]CCO)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001322581249 803913772 /nfs/dbraw/zinc/91/37/72/803913772.db2.gz OWCSIIUGMPTUPR-LBPRGKRZSA-N 2 2 280.372 -0.124 20 0 CBADLP C[C@@H](O)C[NH2+]C[C@@H](NC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001323121183 803978882 /nfs/dbraw/zinc/97/88/82/803978882.db2.gz ABTHOPPZRANGJD-ZYHUDNBSSA-N 2 2 266.345 -0.252 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CC[N@@H+]1CCCO ZINC001323341171 804011474 /nfs/dbraw/zinc/01/14/74/804011474.db2.gz SWYIJHZBXJHRQV-NSHDSACASA-N 2 2 266.345 -0.166 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CC[N@H+]1CCCO ZINC001323341171 804011482 /nfs/dbraw/zinc/01/14/82/804011482.db2.gz SWYIJHZBXJHRQV-NSHDSACASA-N 2 2 266.345 -0.166 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)NC[C@@H]1CC[N@@H+]1CCO ZINC001323341143 804011657 /nfs/dbraw/zinc/01/16/57/804011657.db2.gz SGPGCZLHJQWFTE-LBPRGKRZSA-N 2 2 266.345 -0.465 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)NC[C@@H]1CC[N@H+]1CCO ZINC001323341143 804011666 /nfs/dbraw/zinc/01/16/66/804011666.db2.gz SGPGCZLHJQWFTE-LBPRGKRZSA-N 2 2 266.345 -0.465 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCC1([NH2+]C[C@H](C)O)CC1 ZINC001323602053 804049404 /nfs/dbraw/zinc/04/94/04/804049404.db2.gz KJGCQYDIXMDQPF-VIFPVBQESA-N 2 2 266.345 -0.120 20 0 CBADLP CN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC001323886569 804079170 /nfs/dbraw/zinc/07/91/70/804079170.db2.gz VTZZESNMMQMEAS-NSHDSACASA-N 2 2 293.371 -0.666 20 0 CBADLP C[C@@H](O)C[NH+]1CC(N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001323969490 804090005 /nfs/dbraw/zinc/09/00/05/804090005.db2.gz CFPDKWIFLUYECK-LLVKDONJSA-N 2 2 269.389 -0.148 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@@H]1C[NH2+]CCO ZINC001324260889 804127790 /nfs/dbraw/zinc/12/77/90/804127790.db2.gz MHHVFNXNAAILLL-LLVKDONJSA-N 2 2 266.345 -0.465 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)NCC[NH2+]Cc1ccnn1C ZINC001149553220 814999341 /nfs/dbraw/zinc/99/93/41/814999341.db2.gz GFXHDDUCHZOYPJ-UHFFFAOYSA-N 2 2 290.371 -0.008 20 0 CBADLP C[C@@H]([NH2+]CCNC(=O)CCc1c[nH+]cn1C)C(=O)N(C)C ZINC001149570843 815000161 /nfs/dbraw/zinc/00/01/61/815000161.db2.gz CHNDJJJZSDUNBR-LLVKDONJSA-N 2 2 295.387 -0.465 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)NCC[NH2+]CCOCCO ZINC001149564953 815001242 /nfs/dbraw/zinc/00/12/42/815001242.db2.gz ROEPVQYKJPIDMG-UHFFFAOYSA-N 2 2 284.360 -0.933 20 0 CBADLP CCOCCC[NH+]1CC(O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001325189844 804255626 /nfs/dbraw/zinc/25/56/26/804255626.db2.gz MGNZMFYWVTVLEJ-CYBMUJFWSA-N 2 2 299.415 -0.330 20 0 CBADLP CCOCCC[NH+]1CC(O)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001325189844 804255632 /nfs/dbraw/zinc/25/56/32/804255632.db2.gz MGNZMFYWVTVLEJ-CYBMUJFWSA-N 2 2 299.415 -0.330 20 0 CBADLP CCOCC[NH+]1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001325214099 804260890 /nfs/dbraw/zinc/26/08/90/804260890.db2.gz MWZIKHZCQIMXLV-CHWSQXEVSA-N 2 2 299.415 -0.474 20 0 CBADLP CCOCC[NH+]1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001325214099 804260897 /nfs/dbraw/zinc/26/08/97/804260897.db2.gz MWZIKHZCQIMXLV-CHWSQXEVSA-N 2 2 299.415 -0.474 20 0 CBADLP CCC[N@H+](C)CC(=O)NCC1(O)C[NH+](C(C)C)C1 ZINC001325312049 804275807 /nfs/dbraw/zinc/27/58/07/804275807.db2.gz PTRJUTNZQSKKJC-UHFFFAOYSA-N 2 2 257.378 -0.101 20 0 CBADLP CCC[N@@H+](C)CC(=O)NCC1(O)C[NH+](C(C)C)C1 ZINC001325312049 804275817 /nfs/dbraw/zinc/27/58/17/804275817.db2.gz PTRJUTNZQSKKJC-UHFFFAOYSA-N 2 2 257.378 -0.101 20 0 CBADLP Cn1ccc(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)n1 ZINC001325878848 804331238 /nfs/dbraw/zinc/33/12/38/804331238.db2.gz KLSDKEVSRDKGEQ-CYBMUJFWSA-N 2 2 267.377 -0.882 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@H]1C[N@H+](CCCO)CCCO1 ZINC001150379783 815027006 /nfs/dbraw/zinc/02/70/06/815027006.db2.gz KDKJMZDNRGNAEY-CYBMUJFWSA-N 2 2 296.371 -0.458 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@H]1C[N@@H+](CCCO)CCCO1 ZINC001150379783 815027009 /nfs/dbraw/zinc/02/70/09/815027009.db2.gz KDKJMZDNRGNAEY-CYBMUJFWSA-N 2 2 296.371 -0.458 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1C[N@H+](CCO)CCCO1 ZINC001150507825 815033762 /nfs/dbraw/zinc/03/37/62/815033762.db2.gz KVUUNVPSTWNPKQ-LLVKDONJSA-N 2 2 282.344 -0.848 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1C[N@@H+](CCO)CCCO1 ZINC001150507825 815033769 /nfs/dbraw/zinc/03/37/69/815033769.db2.gz KVUUNVPSTWNPKQ-LLVKDONJSA-N 2 2 282.344 -0.848 20 0 CBADLP C[C@H](O)C[N@@H+]1CCCO[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001150507794 815034084 /nfs/dbraw/zinc/03/40/84/815034084.db2.gz KIGYBWANYMTTAC-NWDGAFQWSA-N 2 2 296.371 -0.460 20 0 CBADLP C[C@H](O)C[N@H+]1CCCO[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001150507794 815034089 /nfs/dbraw/zinc/03/40/89/815034089.db2.gz KIGYBWANYMTTAC-NWDGAFQWSA-N 2 2 296.371 -0.460 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1C[N@H+](CCO)CCCO1 ZINC001150663428 815039950 /nfs/dbraw/zinc/03/99/50/815039950.db2.gz JHBSGLCIWSLDQU-GFCCVEGCSA-N 2 2 296.371 -0.540 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1C[N@@H+](CCO)CCCO1 ZINC001150663428 815039957 /nfs/dbraw/zinc/03/99/57/815039957.db2.gz JHBSGLCIWSLDQU-GFCCVEGCSA-N 2 2 296.371 -0.540 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@H]1C[N@H+](CCCO)CCCO1 ZINC001150824000 815046276 /nfs/dbraw/zinc/04/62/76/815046276.db2.gz DXFHMNXZGNQPQA-ZDUSSCGKSA-N 2 2 296.371 -0.527 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@H]1C[N@@H+](CCCO)CCCO1 ZINC001150824000 815046282 /nfs/dbraw/zinc/04/62/82/815046282.db2.gz DXFHMNXZGNQPQA-ZDUSSCGKSA-N 2 2 296.371 -0.527 20 0 CBADLP Cc1noc(C[NH2+]CCNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001151044788 815051870 /nfs/dbraw/zinc/05/18/70/815051870.db2.gz YXJWIPSZJOGJRB-JTQLQIEISA-N 2 2 267.333 -0.464 20 0 CBADLP Cc1noc(C[NH2+]CCNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001151044788 815051878 /nfs/dbraw/zinc/05/18/78/815051878.db2.gz YXJWIPSZJOGJRB-JTQLQIEISA-N 2 2 267.333 -0.464 20 0 CBADLP C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]Cc2cnsn2)C1 ZINC001151049253 815052481 /nfs/dbraw/zinc/05/24/81/815052481.db2.gz LKKFZLOATWSQLI-SECBINFHSA-N 2 2 269.374 -0.304 20 0 CBADLP C[N@H+]1CC[C@@H](C(=O)NCC[NH2+]Cc2cnsn2)C1 ZINC001151049253 815052484 /nfs/dbraw/zinc/05/24/84/815052484.db2.gz LKKFZLOATWSQLI-SECBINFHSA-N 2 2 269.374 -0.304 20 0 CBADLP CCc1noc(C[NH2+]CCNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001151065966 815057351 /nfs/dbraw/zinc/05/73/51/815057351.db2.gz OXPLCXYUFXVZJZ-SNVBAGLBSA-N 2 2 281.360 -0.211 20 0 CBADLP CCc1noc(C[NH2+]CCNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001151065966 815057357 /nfs/dbraw/zinc/05/73/57/815057357.db2.gz OXPLCXYUFXVZJZ-SNVBAGLBSA-N 2 2 281.360 -0.211 20 0 CBADLP Cn1ncc(C[NH2+]CCNC(=O)C[NH+]2CCCC2)n1 ZINC001151097029 815060096 /nfs/dbraw/zinc/06/00/96/815060096.db2.gz JKQOBMNXHOYIGM-UHFFFAOYSA-N 2 2 266.349 -0.883 20 0 CBADLP O=C(C[NH+]1CCCC1)NCC[NH2+]Cc1nnnn1C1CC1 ZINC001151098055 815060405 /nfs/dbraw/zinc/06/04/05/815060405.db2.gz SQZMKBZOECTXSP-UHFFFAOYSA-N 2 2 293.375 -0.690 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NCC[NH2+]Cc1cn(C)nn1 ZINC001151115709 815062699 /nfs/dbraw/zinc/06/26/99/815062699.db2.gz ZZOYRTOFFJHGCI-UHFFFAOYSA-N 2 2 277.332 -0.774 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NCC[NH2+]Cc1nccn1C ZINC001151141469 815063460 /nfs/dbraw/zinc/06/34/60/815063460.db2.gz SJKCHCUZTYFJDN-UHFFFAOYSA-N 2 2 276.344 -0.169 20 0 CBADLP C[C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)C[N@@H+]1CC(N)=O ZINC001072082216 805287426 /nfs/dbraw/zinc/28/74/26/805287426.db2.gz XSOKSRVGXVTCNY-RYUDHWBXSA-N 2 2 282.388 -0.463 20 0 CBADLP C[C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)C[N@H+]1CC(N)=O ZINC001072082216 805287430 /nfs/dbraw/zinc/28/74/30/805287430.db2.gz XSOKSRVGXVTCNY-RYUDHWBXSA-N 2 2 282.388 -0.463 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC(N)=O)C1 ZINC001072084746 805287954 /nfs/dbraw/zinc/28/79/54/805287954.db2.gz IERGTNUUOHIEJY-ZYHUDNBSSA-N 2 2 293.371 -0.354 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC(N)=O)C1 ZINC001072084746 805287962 /nfs/dbraw/zinc/28/79/62/805287962.db2.gz IERGTNUUOHIEJY-ZYHUDNBSSA-N 2 2 293.371 -0.354 20 0 CBADLP CCn1ncnc1C[NH2+]CCNC(=O)Cn1cc[nH+]c1C ZINC001151147382 815064261 /nfs/dbraw/zinc/06/42/61/815064261.db2.gz LKPUVEWGJGBYAY-UHFFFAOYSA-N 2 2 291.359 -0.291 20 0 CBADLP C[C@H]1[C@@H]([NH2+]CCF)CCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001074581630 805459102 /nfs/dbraw/zinc/45/91/02/805459102.db2.gz HQIAXZAINHXHNT-SDDRHHMPSA-N 2 2 273.352 -0.135 20 0 CBADLP C[C@H]1[C@@H]([NH2+]CCF)CCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001074581630 805459105 /nfs/dbraw/zinc/45/91/05/805459105.db2.gz HQIAXZAINHXHNT-SDDRHHMPSA-N 2 2 273.352 -0.135 20 0 CBADLP C[C@H]([NH2+][C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)[C@H]1C)C(N)=O ZINC001074680692 805464635 /nfs/dbraw/zinc/46/46/35/805464635.db2.gz STVANKFJDAEYKJ-NHCYSSNCSA-N 2 2 293.371 -0.205 20 0 CBADLP C[C@H]([NH2+][C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)[C@H]1C)C(N)=O ZINC001074680692 805464640 /nfs/dbraw/zinc/46/46/40/805464640.db2.gz STVANKFJDAEYKJ-NHCYSSNCSA-N 2 2 293.371 -0.205 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H]([NH2+]CC(N)=O)[C@@H]1C ZINC001074957207 805479236 /nfs/dbraw/zinc/47/92/36/805479236.db2.gz XBXKMMDWUYKKBI-SCVCMEIPSA-N 2 2 293.371 -0.347 20 0 CBADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H]([NH2+]CC(N)=O)[C@@H]1C ZINC001074957207 805479239 /nfs/dbraw/zinc/47/92/39/805479239.db2.gz XBXKMMDWUYKKBI-SCVCMEIPSA-N 2 2 293.371 -0.347 20 0 CBADLP C[C@H]([NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@H]1C)C(N)=O ZINC001074996400 805480352 /nfs/dbraw/zinc/48/03/52/805480352.db2.gz PBCBAKVQQFBTSN-GUBZILKMSA-N 2 2 279.344 -0.595 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]([NH2+][C@@H](C)C(N)=O)[C@@H]1C ZINC001075070820 805481948 /nfs/dbraw/zinc/48/19/48/805481948.db2.gz WUYXTRFJXDBHNS-DCAQKATOSA-N 2 2 293.371 -0.287 20 0 CBADLP C[C@H]([NH2+][C@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@H]1C)C(N)=O ZINC001075040189 805482116 /nfs/dbraw/zinc/48/21/16/805482116.db2.gz RJUQBHZTRIBPLU-NHCYSSNCSA-N 2 2 293.371 -0.585 20 0 CBADLP O=C(CCn1cc[nH+]c1)N1CC[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001076106706 805553952 /nfs/dbraw/zinc/55/39/52/805553952.db2.gz BWEULCHFXXEOOD-QWHCGFSZSA-N 2 2 278.356 -0.202 20 0 CBADLP O=C(CCn1cc[nH+]c1)N1CC[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001076106706 805553959 /nfs/dbraw/zinc/55/39/59/805553959.db2.gz BWEULCHFXXEOOD-QWHCGFSZSA-N 2 2 278.356 -0.202 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2nocc2C)C1 ZINC001151739413 815091278 /nfs/dbraw/zinc/09/12/78/815091278.db2.gz MIWSLSZPEBSHCV-ZDUSSCGKSA-N 2 2 296.371 -0.090 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2nocc2C)C1 ZINC001151739413 815091283 /nfs/dbraw/zinc/09/12/83/815091283.db2.gz MIWSLSZPEBSHCV-ZDUSSCGKSA-N 2 2 296.371 -0.090 20 0 CBADLP COC[C@@H](C)[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+]1CCOCC1 ZINC001151814837 815095131 /nfs/dbraw/zinc/09/51/31/815095131.db2.gz MYBVIPMAYBBBGQ-TZMCWYRMSA-N 2 2 299.415 -0.162 20 0 CBADLP COCCC[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+]1CCOCC1 ZINC001151813919 815095139 /nfs/dbraw/zinc/09/51/39/815095139.db2.gz BLPCQKIISIZXGB-CQSZACIVSA-N 2 2 299.415 -0.161 20 0 CBADLP CNC(=O)C[NH2+]CCNC(=O)[C@H](c1cccnc1)[NH+](C)C ZINC001152604220 815131730 /nfs/dbraw/zinc/13/17/30/815131730.db2.gz XRKYDALJVSUMPL-ZDUSSCGKSA-N 2 2 293.371 -0.864 20 0 CBADLP C[C@@H]([NH2+]CCNC(=O)CCCn1cc[nH+]c1)C(N)=O ZINC001153345059 815159368 /nfs/dbraw/zinc/15/93/68/815159368.db2.gz NUQUSFRSRYIVRL-SNVBAGLBSA-N 2 2 267.333 -0.757 20 0 CBADLP O=C(CCCn1cc[nH+]c1)NCC[NH2+]CCn1cncn1 ZINC001153351416 815159686 /nfs/dbraw/zinc/15/96/86/815159686.db2.gz RYRQDIBWVSENHM-UHFFFAOYSA-N 2 2 291.359 -0.339 20 0 CBADLP CC[C@@H]([NH2+]CCNC(=O)CCCn1cc[nH+]c1)C(N)=O ZINC001153350905 815159853 /nfs/dbraw/zinc/15/98/53/815159853.db2.gz NTZFBKAJZPRTJJ-LLVKDONJSA-N 2 2 281.360 -0.367 20 0 CBADLP CCCNC(=O)C[NH2+]CCNC(=O)CCCn1cc[nH+]c1 ZINC001153345383 815160047 /nfs/dbraw/zinc/16/00/47/815160047.db2.gz TUASKUIZAJMHAJ-UHFFFAOYSA-N 2 2 295.387 -0.105 20 0 CBADLP CN(CC1CC1)C(=O)C[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153487569 815163434 /nfs/dbraw/zinc/16/34/34/815163434.db2.gz FFHJNQOJICHPFL-UHFFFAOYSA-N 2 2 293.371 -0.543 20 0 CBADLP COc1nccc(C[NH2+]CCNC(=O)Cn2cc[nH+]c2)n1 ZINC001153488013 815164271 /nfs/dbraw/zinc/16/42/71/815164271.db2.gz ZYYNEWGNKRXGEM-UHFFFAOYSA-N 2 2 290.327 -0.412 20 0 CBADLP CCN(C)C(=O)C[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153487935 815164409 /nfs/dbraw/zinc/16/44/09/815164409.db2.gz UCFCBSSLHKAJOU-UHFFFAOYSA-N 2 2 267.333 -0.933 20 0 CBADLP C[C@@H]([NH2+]CCNC(=O)Cn1cc[nH+]c1)C(=O)N(C)C ZINC001153495881 815164536 /nfs/dbraw/zinc/16/45/36/815164536.db2.gz QPZAYPRCRKUJLZ-SNVBAGLBSA-N 2 2 267.333 -0.934 20 0 CBADLP O=C(Cn1cc[nH+]c1)NCC[NH2+]C[C@H](O)CC(F)(F)F ZINC001153495661 815164663 /nfs/dbraw/zinc/16/46/63/815164663.db2.gz MRCQUHVGQPAMHY-SECBINFHSA-N 2 2 294.277 -0.098 20 0 CBADLP O=C(Cn1cc[nH+]c1)NCC[NH2+]C[C@@H](O)CC(F)(F)F ZINC001153495662 815164715 /nfs/dbraw/zinc/16/47/15/815164715.db2.gz MRCQUHVGQPAMHY-VIFPVBQESA-N 2 2 294.277 -0.098 20 0 CBADLP O=C(Cn1cc[nH+]c1)NCC[NH2+]C[C@H]1CCOC1 ZINC001153500785 815164986 /nfs/dbraw/zinc/16/49/86/815164986.db2.gz UGFWZKMVKPGMEG-LLVKDONJSA-N 2 2 252.318 -0.375 20 0 CBADLP O=C(Cn1cc[nH+]c1)NCC[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001153495842 815165099 /nfs/dbraw/zinc/16/50/99/815165099.db2.gz PSSXLERRDNHTSS-LBPRGKRZSA-N 2 2 293.371 -0.495 20 0 CBADLP C[N@@H+]1CCc2nc(C(=O)NC3(C[NH3+])COC3)sc2C1 ZINC001154222575 815205646 /nfs/dbraw/zinc/20/56/46/815205646.db2.gz GPSPPJDCMSFYIB-UHFFFAOYSA-N 2 2 282.369 -0.412 20 0 CBADLP C[N@H+]1CCc2nc(C(=O)NC3(C[NH3+])COC3)sc2C1 ZINC001154222575 815205650 /nfs/dbraw/zinc/20/56/50/815205650.db2.gz GPSPPJDCMSFYIB-UHFFFAOYSA-N 2 2 282.369 -0.412 20 0 CBADLP [NH3+]Cc1cn(-c2cc[nH+]c(N3CCOCC3)n2)cn1 ZINC001154910106 815248593 /nfs/dbraw/zinc/24/85/93/815248593.db2.gz WAPNHQRMEDGKPN-UHFFFAOYSA-N 2 2 260.301 -0.042 20 0 CBADLP COC(=O)[C@@H]([NH3+])C1CCN(c2cc[nH+]c(N)n2)CC1 ZINC001155158859 815267637 /nfs/dbraw/zinc/26/76/37/815267637.db2.gz GBVYCXCTUVNPAD-JTQLQIEISA-N 2 2 265.317 -0.225 20 0 CBADLP C[N@@H+]1CCO[C@H](CNc2cncc(N3CC[NH2+]CC3)n2)C1 ZINC001155196550 815268340 /nfs/dbraw/zinc/26/83/40/815268340.db2.gz OFUCVWOXVMHLOH-GFCCVEGCSA-N 2 2 292.387 -0.371 20 0 CBADLP C[N@H+]1CCO[C@H](CNc2cncc(N3CC[NH2+]CC3)n2)C1 ZINC001155196550 815268342 /nfs/dbraw/zinc/26/83/42/815268342.db2.gz OFUCVWOXVMHLOH-GFCCVEGCSA-N 2 2 292.387 -0.371 20 0 CBADLP C[N@@H+]1CCO[C@@H](CNc2ncnc3c2CC[NH2+]CC3)C1 ZINC001155194472 815269063 /nfs/dbraw/zinc/26/90/63/815269063.db2.gz PRAWYHROSFZMFI-NSHDSACASA-N 2 2 277.372 -0.093 20 0 CBADLP C[N@H+]1CCO[C@@H](CNc2ncnc3c2CC[NH2+]CC3)C1 ZINC001155194472 815269069 /nfs/dbraw/zinc/26/90/69/815269069.db2.gz PRAWYHROSFZMFI-NSHDSACASA-N 2 2 277.372 -0.093 20 0 CBADLP [NH3+]CCN(CCO)c1cccc(N2CCOCC2)[nH+]1 ZINC001155952419 815325062 /nfs/dbraw/zinc/32/50/62/815325062.db2.gz HHOMMZWNTICHOM-UHFFFAOYSA-N 2 2 266.345 -0.324 20 0 CBADLP Cc1nnc(C[NH2+]CCCNC(=O)[C@H]2C[N@H+](C)CCO2)o1 ZINC001156145120 815340702 /nfs/dbraw/zinc/34/07/02/815340702.db2.gz IEJXBKKDOMOKLI-LLVKDONJSA-N 2 2 297.359 -0.695 20 0 CBADLP Cc1nnc(C[NH2+]CCCNC(=O)[C@H]2C[N@@H+](C)CCO2)o1 ZINC001156145120 815340709 /nfs/dbraw/zinc/34/07/09/815340709.db2.gz IEJXBKKDOMOKLI-LLVKDONJSA-N 2 2 297.359 -0.695 20 0 CBADLP Cc1noc(C[NH2+]CCCNC(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC001156144443 815340732 /nfs/dbraw/zinc/34/07/32/815340732.db2.gz CKJQBZJCCFZUMK-NSHDSACASA-N 2 2 297.359 -0.695 20 0 CBADLP Cc1noc(C[NH2+]CCCNC(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001156144443 815340738 /nfs/dbraw/zinc/34/07/38/815340738.db2.gz CKJQBZJCCFZUMK-NSHDSACASA-N 2 2 297.359 -0.695 20 0 CBADLP Cc1nonc1C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001156144161 815340979 /nfs/dbraw/zinc/34/09/79/815340979.db2.gz ANIWIZQZMVUQEI-GFCCVEGCSA-N 2 2 297.359 -0.695 20 0 CBADLP Cc1nonc1C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001156144161 815340986 /nfs/dbraw/zinc/34/09/86/815340986.db2.gz ANIWIZQZMVUQEI-GFCCVEGCSA-N 2 2 297.359 -0.695 20 0 CBADLP Cc1nnc(C[NH2+]CCCNC(=O)[C@H]2C[N@H+](C)CCO2)[nH]1 ZINC001156145770 815341046 /nfs/dbraw/zinc/34/10/46/815341046.db2.gz PUJDCEYWBVAZAX-LLVKDONJSA-N 2 2 296.375 -0.960 20 0 CBADLP Cc1nnc(C[NH2+]CCCNC(=O)[C@H]2C[N@@H+](C)CCO2)[nH]1 ZINC001156145770 815341053 /nfs/dbraw/zinc/34/10/53/815341053.db2.gz PUJDCEYWBVAZAX-LLVKDONJSA-N 2 2 296.375 -0.960 20 0 CBADLP COC(=O)[C@@H]1C[C@H](Nc2cc(C[NH3+])ncn2)C[NH2+]1 ZINC001156243288 815350824 /nfs/dbraw/zinc/35/08/24/815350824.db2.gz SRMUMKANHWSTPT-IUCAKERBSA-N 2 2 251.290 -0.749 20 0 CBADLP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2C)CC[N@@H+]1CC(N)=O ZINC001087830241 810307969 /nfs/dbraw/zinc/30/79/69/810307969.db2.gz VKXNVXISWDEQHL-NWDGAFQWSA-N 2 2 293.371 -0.354 20 0 CBADLP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2C)CC[N@H+]1CC(N)=O ZINC001087830241 810307974 /nfs/dbraw/zinc/30/79/74/810307974.db2.gz VKXNVXISWDEQHL-NWDGAFQWSA-N 2 2 293.371 -0.354 20 0 CBADLP NC(=O)C[NH2+][C@@H]1CCCCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001088433709 810329883 /nfs/dbraw/zinc/32/98/83/810329883.db2.gz CXPGACWRCGTMMT-GFCCVEGCSA-N 2 2 293.371 -0.271 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[N@@H+]1CC(N)=O ZINC001088860491 810364218 /nfs/dbraw/zinc/36/42/18/810364218.db2.gz NTJBRNZPJSPAAT-NEPJUHHUSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[N@H+]1CC(N)=O ZINC001088860491 810364224 /nfs/dbraw/zinc/36/42/24/810364224.db2.gz NTJBRNZPJSPAAT-NEPJUHHUSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC[NH+]1CC(N)=O ZINC001088860491 810364231 /nfs/dbraw/zinc/36/42/31/810364231.db2.gz NTJBRNZPJSPAAT-NEPJUHHUSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC[NH+]1CC(N)=O ZINC001088860491 810364237 /nfs/dbraw/zinc/36/42/37/810364237.db2.gz NTJBRNZPJSPAAT-NEPJUHHUSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@H](O)C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H]1C ZINC001089074152 810376042 /nfs/dbraw/zinc/37/60/42/810376042.db2.gz INADNZVYZOETTN-TUAOUCFPSA-N 2 2 266.345 -0.157 20 0 CBADLP C[C@H](O)C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H]1C ZINC001089074152 810376045 /nfs/dbraw/zinc/37/60/45/810376045.db2.gz INADNZVYZOETTN-TUAOUCFPSA-N 2 2 266.345 -0.157 20 0 CBADLP C[NH2+][C@H]1CCN1c1ccc(N2CC[NH+](C)CC2)nn1 ZINC001156638559 815371546 /nfs/dbraw/zinc/37/15/46/815371546.db2.gz MVZITOQJCMJARD-LLVKDONJSA-N 2 2 262.361 -0.016 20 0 CBADLP CCC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001090679161 810548151 /nfs/dbraw/zinc/54/81/51/810548151.db2.gz LFCVQBDWMDAAAC-MNOVXSKESA-N 2 2 266.345 -0.086 20 0 CBADLP CCC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001090679161 810548159 /nfs/dbraw/zinc/54/81/59/810548159.db2.gz LFCVQBDWMDAAAC-MNOVXSKESA-N 2 2 266.345 -0.086 20 0 CBADLP CC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001090679763 810548290 /nfs/dbraw/zinc/54/82/90/810548290.db2.gz QPDZRKFEOULTTD-UWVGGRQHSA-N 2 2 252.318 -0.477 20 0 CBADLP CC[N@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001090679763 810548295 /nfs/dbraw/zinc/54/82/95/810548295.db2.gz QPDZRKFEOULTTD-UWVGGRQHSA-N 2 2 252.318 -0.477 20 0 CBADLP CCC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001090679167 810549537 /nfs/dbraw/zinc/54/95/37/810549537.db2.gz LFCVQBDWMDAAAC-WDEREUQCSA-N 2 2 266.345 -0.086 20 0 CBADLP CCC[N@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001090679167 810549543 /nfs/dbraw/zinc/54/95/43/810549543.db2.gz LFCVQBDWMDAAAC-WDEREUQCSA-N 2 2 266.345 -0.086 20 0 CBADLP CC(C)[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@H](O)C1 ZINC001090727196 810557174 /nfs/dbraw/zinc/55/71/74/810557174.db2.gz IIHNHXALOQTIDD-CHWSQXEVSA-N 2 2 280.372 -0.078 20 0 CBADLP CC(C)[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@H](O)C1 ZINC001090727196 810557179 /nfs/dbraw/zinc/55/71/79/810557179.db2.gz IIHNHXALOQTIDD-CHWSQXEVSA-N 2 2 280.372 -0.078 20 0 CBADLP COCC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H](O)C1 ZINC001090727351 810557325 /nfs/dbraw/zinc/55/73/25/810557325.db2.gz KAQHSOLJONMJCQ-QWHCGFSZSA-N 2 2 296.371 -0.840 20 0 CBADLP COCC[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H](O)C1 ZINC001090727351 810557331 /nfs/dbraw/zinc/55/73/31/810557331.db2.gz KAQHSOLJONMJCQ-QWHCGFSZSA-N 2 2 296.371 -0.840 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@H+](CCCO)C[C@@H]1O ZINC001090762976 810562206 /nfs/dbraw/zinc/56/22/06/810562206.db2.gz CRYUZVDGCZBHJQ-YPMHNXCESA-N 2 2 296.371 -0.806 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001090762976 810562210 /nfs/dbraw/zinc/56/22/10/810562210.db2.gz CRYUZVDGCZBHJQ-YPMHNXCESA-N 2 2 296.371 -0.806 20 0 CBADLP CC[NH2+]Cc1cn(C2CN(C(=O)Cc3c[nH+]c[nH]3)C2)nn1 ZINC001093338421 810652629 /nfs/dbraw/zinc/65/26/29/810652629.db2.gz RGCPPDUKIGJQBQ-UHFFFAOYSA-N 2 2 289.343 -0.263 20 0 CBADLP CS(=O)(=O)N(CC[NH3+])C(=O)c1ccc2[nH+]c(N)[nH]c2c1 ZINC001156964642 815393507 /nfs/dbraw/zinc/39/35/07/815393507.db2.gz OLFCCDYTDBWJMW-UHFFFAOYSA-N 2 2 297.340 -0.494 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCO ZINC001096656433 810782233 /nfs/dbraw/zinc/78/22/33/810782233.db2.gz MNFPPHLFOYBODL-WOPDTQHZSA-N 2 2 264.329 -0.403 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO ZINC001096656433 810782242 /nfs/dbraw/zinc/78/22/42/810782242.db2.gz MNFPPHLFOYBODL-WOPDTQHZSA-N 2 2 264.329 -0.403 20 0 CBADLP C[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1)C2 ZINC001096655577 810782501 /nfs/dbraw/zinc/78/25/01/810782501.db2.gz XMWVYBLMJLOPEW-NDBYEHHHSA-N 2 2 278.356 -0.015 20 0 CBADLP C[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1)C2 ZINC001096655577 810782504 /nfs/dbraw/zinc/78/25/04/810782504.db2.gz XMWVYBLMJLOPEW-NDBYEHHHSA-N 2 2 278.356 -0.015 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCO ZINC001098492265 810848943 /nfs/dbraw/zinc/84/89/43/810848943.db2.gz HZNYPNSSFGJAKN-UPJWGTAASA-N 2 2 278.356 -0.013 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCO ZINC001098492265 810848952 /nfs/dbraw/zinc/84/89/52/810848952.db2.gz HZNYPNSSFGJAKN-UPJWGTAASA-N 2 2 278.356 -0.013 20 0 CBADLP CCOC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CC[NH2+]1 ZINC001157081879 815403757 /nfs/dbraw/zinc/40/37/57/815403757.db2.gz DMAGBJQMORVDSU-UWVGGRQHSA-N 2 2 266.301 -0.638 20 0 CBADLP CCOC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1CC[NH2+]1 ZINC001157081879 815403758 /nfs/dbraw/zinc/40/37/58/815403758.db2.gz DMAGBJQMORVDSU-UWVGGRQHSA-N 2 2 266.301 -0.638 20 0 CBADLP CCOC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001157083982 815404009 /nfs/dbraw/zinc/40/40/09/815404009.db2.gz XPHXETTUAAWHMD-WHOHXGKFSA-N 2 2 292.339 -0.535 20 0 CBADLP CCOC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001157083982 815404015 /nfs/dbraw/zinc/40/40/15/815404015.db2.gz XPHXETTUAAWHMD-WHOHXGKFSA-N 2 2 292.339 -0.535 20 0 CBADLP CC[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@@H](O)C1 ZINC001099872040 810956677 /nfs/dbraw/zinc/95/66/77/810956677.db2.gz NUVOIPREGAFSCZ-NEPJUHHUSA-N 2 2 266.345 -0.086 20 0 CBADLP CC[N@H+]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@@H](O)C1 ZINC001099872040 810956683 /nfs/dbraw/zinc/95/66/83/810956683.db2.gz NUVOIPREGAFSCZ-NEPJUHHUSA-N 2 2 266.345 -0.086 20 0 CBADLP CC[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001099872040 810956666 /nfs/dbraw/zinc/95/66/66/810956666.db2.gz NUVOIPREGAFSCZ-NEPJUHHUSA-N 2 2 266.345 -0.086 20 0 CBADLP CC[N@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001099872040 810956671 /nfs/dbraw/zinc/95/66/71/810956671.db2.gz NUVOIPREGAFSCZ-NEPJUHHUSA-N 2 2 266.345 -0.086 20 0 CBADLP C[NH+](C)C1(C(=O)N[C@H]2CC[N@H+](CCF)C[C@H]2O)CCC1 ZINC001099871889 810957355 /nfs/dbraw/zinc/95/73/55/810957355.db2.gz LPYYFVVNIDZUPS-NWDGAFQWSA-N 2 2 287.379 -0.008 20 0 CBADLP C[NH+](C)C1(C(=O)N[C@H]2CC[N@@H+](CCF)C[C@H]2O)CCC1 ZINC001099871889 810957361 /nfs/dbraw/zinc/95/73/61/810957361.db2.gz LPYYFVVNIDZUPS-NWDGAFQWSA-N 2 2 287.379 -0.008 20 0 CBADLP C[NH+](CC(=O)N[C@H]1CC[N@H+](CCF)C[C@@H]1O)C1CCC1 ZINC001099879519 810959191 /nfs/dbraw/zinc/95/91/91/810959191.db2.gz LARCMLSHBRMTDE-STQMWFEESA-N 2 2 287.379 -0.008 20 0 CBADLP C[N@H+](CC(=O)N[C@H]1CC[NH+](CCF)C[C@@H]1O)C1CCC1 ZINC001099879519 810959185 /nfs/dbraw/zinc/95/91/85/810959185.db2.gz LARCMLSHBRMTDE-STQMWFEESA-N 2 2 287.379 -0.008 20 0 CBADLP C[N@@H+](CC(=O)N[C@H]1CC[NH+](CCF)C[C@@H]1O)C1CCC1 ZINC001099879519 810959187 /nfs/dbraw/zinc/95/91/87/810959187.db2.gz LARCMLSHBRMTDE-STQMWFEESA-N 2 2 287.379 -0.008 20 0 CBADLP C[NH+](CC(=O)N[C@H]1CC[N@@H+](CCF)C[C@@H]1O)C1CCC1 ZINC001099879519 810959196 /nfs/dbraw/zinc/95/91/96/810959196.db2.gz LARCMLSHBRMTDE-STQMWFEESA-N 2 2 287.379 -0.008 20 0 CBADLP CC[NH+](CC)CC(=O)N[C@H]1CC[N@H+](CCF)C[C@@H]1O ZINC001100047914 811004334 /nfs/dbraw/zinc/00/43/34/811004334.db2.gz CGAIPLSCHCUJTO-RYUDHWBXSA-N 2 2 275.368 -0.151 20 0 CBADLP CC[NH+](CC)CC(=O)N[C@H]1CC[N@@H+](CCF)C[C@@H]1O ZINC001100047914 811004341 /nfs/dbraw/zinc/00/43/41/811004341.db2.gz CGAIPLSCHCUJTO-RYUDHWBXSA-N 2 2 275.368 -0.151 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](CCF)C[C@@H]1O ZINC001100132769 811028999 /nfs/dbraw/zinc/02/89/99/811028999.db2.gz YSUCFJGJQKESBJ-RYUDHWBXSA-N 2 2 275.368 -0.153 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CCF)C[C@@H]1O ZINC001100132769 811029009 /nfs/dbraw/zinc/02/90/09/811029009.db2.gz YSUCFJGJQKESBJ-RYUDHWBXSA-N 2 2 275.368 -0.153 20 0 CBADLP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@H+](CCF)C[C@@H]1O ZINC001100132769 811029016 /nfs/dbraw/zinc/02/90/16/811029016.db2.gz YSUCFJGJQKESBJ-RYUDHWBXSA-N 2 2 275.368 -0.153 20 0 CBADLP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CCF)C[C@@H]1O ZINC001100132769 811029024 /nfs/dbraw/zinc/02/90/24/811029024.db2.gz YSUCFJGJQKESBJ-RYUDHWBXSA-N 2 2 275.368 -0.153 20 0 CBADLP C[C@H](O)C[NH2+]CCCNC(=O)CCc1[nH]cc[nH+]1 ZINC001157265493 815415656 /nfs/dbraw/zinc/41/56/56/815415656.db2.gz SSRZCNBWNBXIBU-JTQLQIEISA-N 2 2 254.334 -0.181 20 0 CBADLP CCCNC(=O)C[NH2+]CCCNC(=O)CCc1[nH]cc[nH+]1 ZINC001157257341 815416260 /nfs/dbraw/zinc/41/62/60/815416260.db2.gz OYOWIDKCYPYRGK-UHFFFAOYSA-N 2 2 295.387 -0.036 20 0 CBADLP C[C@H]([NH2+]C1CC(CNC(=O)CCc2[nH]cc[nH+]2)C1)C(N)=O ZINC001100293322 811045747 /nfs/dbraw/zinc/04/57/47/811045747.db2.gz OFYWZBFPPPRZAX-WHXUTIOJSA-N 2 2 293.371 -0.300 20 0 CBADLP CN(C)C(=O)C[NH2+]C1CC(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001100706815 811074812 /nfs/dbraw/zinc/07/48/12/811074812.db2.gz ZZNLQFVTUKXEJS-UHFFFAOYSA-N 2 2 293.371 -0.475 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NCC1CC([NH2+]CCOCCO)C1 ZINC001100710284 811075546 /nfs/dbraw/zinc/07/55/46/811075546.db2.gz KXEAEYSYDPISBK-UHFFFAOYSA-N 2 2 296.371 -0.555 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NCC1CC([NH2+][C@H]2CCNC2=O)C1 ZINC001100789873 811079737 /nfs/dbraw/zinc/07/97/37/811079737.db2.gz KQIKYZDNDZNAHL-ILDUYXDCSA-N 2 2 291.355 -0.675 20 0 CBADLP O=C(Cn1cc[nH+]c1)NCC1CC([NH2+]Cc2cnon2)C1 ZINC001101071345 811094267 /nfs/dbraw/zinc/09/42/67/811094267.db2.gz DDAZKAWZCZFLQJ-UHFFFAOYSA-N 2 2 290.327 -0.049 20 0 CBADLP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001157323507 815423208 /nfs/dbraw/zinc/42/32/08/815423208.db2.gz SOKHRMIVWIAHOW-MNOVXSKESA-N 2 2 281.360 -0.196 20 0 CBADLP N=C(NC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2)n1nnc2ccccc21 ZINC001157421846 815431749 /nfs/dbraw/zinc/43/17/49/815431749.db2.gz IZTSOCOZKNRNPH-XPTSAGLGSA-N 2 2 299.338 -0.718 20 0 CBADLP N=C(NC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2)n1nnc2ccccc21 ZINC001157421829 815431940 /nfs/dbraw/zinc/43/19/40/815431940.db2.gz IZTSOCOZKNRNPH-LKFCYVNXSA-N 2 2 299.338 -0.718 20 0 CBADLP Cc1cc(N(C(N)=[NH2+])C(=O)[C@H]([NH3+])CCC[NH3+])n[nH]1 ZINC001157440369 815433870 /nfs/dbraw/zinc/43/38/70/815433870.db2.gz UHRXKJXQOGNVMG-SSDOTTSWSA-N 3 2 253.310 -0.989 20 0 CBADLP Cc1nc(NC[C@H](O)CNC(=O)[C@H]2CC[N@@H+](C)C2)cc[nH+]1 ZINC001105853224 811269762 /nfs/dbraw/zinc/26/97/62/811269762.db2.gz JEWGTFPSLXUBFY-RYUDHWBXSA-N 2 2 293.371 -0.374 20 0 CBADLP Cc1nc(NC[C@H](O)CNC(=O)[C@H]2CC[N@H+](C)C2)cc[nH+]1 ZINC001105853224 811269771 /nfs/dbraw/zinc/26/97/71/811269771.db2.gz JEWGTFPSLXUBFY-RYUDHWBXSA-N 2 2 293.371 -0.374 20 0 CBADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+]CCO ZINC001107079339 811324104 /nfs/dbraw/zinc/32/41/04/811324104.db2.gz YKNWSJCBPIYFGG-VXGBXAGGSA-N 2 2 266.345 -0.441 20 0 CBADLP CN(CC(F)(F)F)C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001157519397 815441229 /nfs/dbraw/zinc/44/12/29/815441229.db2.gz RFUYVQBKOKWMAI-BIIVOSGPSA-N 2 2 251.252 -0.043 20 0 CBADLP CN(CC(F)(F)F)C(=O)[C@@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001157519582 815441559 /nfs/dbraw/zinc/44/15/59/815441559.db2.gz ZDENXOVFKSPWDQ-VIFPVBQESA-N 2 2 282.310 -0.243 20 0 CBADLP COCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001107816964 811376591 /nfs/dbraw/zinc/37/65/91/811376591.db2.gz KXVUWIJEPXXABR-HIFRSBDPSA-N 2 2 299.415 -0.066 20 0 CBADLP COCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001107816964 811376601 /nfs/dbraw/zinc/37/66/01/811376601.db2.gz KXVUWIJEPXXABR-HIFRSBDPSA-N 2 2 299.415 -0.066 20 0 CBADLP COCC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001107816964 811376610 /nfs/dbraw/zinc/37/66/10/811376610.db2.gz KXVUWIJEPXXABR-HIFRSBDPSA-N 2 2 299.415 -0.066 20 0 CBADLP COCC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001107816964 811376620 /nfs/dbraw/zinc/37/66/20/811376620.db2.gz KXVUWIJEPXXABR-HIFRSBDPSA-N 2 2 299.415 -0.066 20 0 CBADLP CC(C)[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001107839241 811381518 /nfs/dbraw/zinc/38/15/18/811381518.db2.gz KVAJSBXBTCZEDJ-ZFWWWQNUSA-N 2 2 299.415 -0.068 20 0 CBADLP CC(C)[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001107839241 811381526 /nfs/dbraw/zinc/38/15/26/811381526.db2.gz KVAJSBXBTCZEDJ-ZFWWWQNUSA-N 2 2 299.415 -0.068 20 0 CBADLP CC(C)[NH+]1CCO[C@@](C)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001107839241 811381535 /nfs/dbraw/zinc/38/15/35/811381535.db2.gz KVAJSBXBTCZEDJ-ZFWWWQNUSA-N 2 2 299.415 -0.068 20 0 CBADLP CC(C)[NH+]1CCO[C@@](C)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001107839241 811381544 /nfs/dbraw/zinc/38/15/44/811381544.db2.gz KVAJSBXBTCZEDJ-ZFWWWQNUSA-N 2 2 299.415 -0.068 20 0 CBADLP CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001107838837 811382073 /nfs/dbraw/zinc/38/20/73/811382073.db2.gz GGZRCPZARZOOJA-JSGCOSHPSA-N 2 2 285.388 -0.456 20 0 CBADLP CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001107838837 811382084 /nfs/dbraw/zinc/38/20/84/811382084.db2.gz GGZRCPZARZOOJA-JSGCOSHPSA-N 2 2 285.388 -0.456 20 0 CBADLP CC[NH+]1CCO[C@@](C)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001107838837 811382095 /nfs/dbraw/zinc/38/20/95/811382095.db2.gz GGZRCPZARZOOJA-JSGCOSHPSA-N 2 2 285.388 -0.456 20 0 CBADLP CC[NH+]1CCO[C@@](C)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001107838837 811382106 /nfs/dbraw/zinc/38/21/06/811382106.db2.gz GGZRCPZARZOOJA-JSGCOSHPSA-N 2 2 285.388 -0.456 20 0 CBADLP CC[C@@H](C(=O)NC[C@]1(C)C[N@H+](CCO)CCO1)[NH+](C)C ZINC001108221333 811424003 /nfs/dbraw/zinc/42/40/03/811424003.db2.gz ZHXHQDKJDRKXGO-GXTWGEPZSA-N 2 2 287.404 -0.474 20 0 CBADLP CC[C@@H](C(=O)NC[C@]1(C)C[N@@H+](CCO)CCO1)[NH+](C)C ZINC001108221333 811424008 /nfs/dbraw/zinc/42/40/08/811424008.db2.gz ZHXHQDKJDRKXGO-GXTWGEPZSA-N 2 2 287.404 -0.474 20 0 CBADLP C[C@@H]1CCC[N@@H+]1CC(=O)NC[C@]1(C)C[NH+](CCO)CCO1 ZINC001108213415 811425296 /nfs/dbraw/zinc/42/52/96/811425296.db2.gz OLDQFCKJUCPHFK-UKRRQHHQSA-N 2 2 299.415 -0.330 20 0 CBADLP C[C@@H]1CCC[N@H+]1CC(=O)NC[C@]1(C)C[NH+](CCO)CCO1 ZINC001108213415 811425303 /nfs/dbraw/zinc/42/53/03/811425303.db2.gz OLDQFCKJUCPHFK-UKRRQHHQSA-N 2 2 299.415 -0.330 20 0 CBADLP C[C@@H]1CCC[NH+]1CC(=O)NC[C@]1(C)C[N@H+](CCO)CCO1 ZINC001108213415 811425309 /nfs/dbraw/zinc/42/53/09/811425309.db2.gz OLDQFCKJUCPHFK-UKRRQHHQSA-N 2 2 299.415 -0.330 20 0 CBADLP C[C@@H]1CCC[NH+]1CC(=O)NC[C@]1(C)C[N@@H+](CCO)CCO1 ZINC001108213415 811425315 /nfs/dbraw/zinc/42/53/15/811425315.db2.gz OLDQFCKJUCPHFK-UKRRQHHQSA-N 2 2 299.415 -0.330 20 0 CBADLP O=C(N1Cc2cncnc2C1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001157708458 815455511 /nfs/dbraw/zinc/45/55/11/815455511.db2.gz QIRLQQIEJXYXJO-MFKMUULPSA-N 2 2 259.313 -0.730 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(N)=O ZINC001110159329 811510301 /nfs/dbraw/zinc/51/03/01/811510301.db2.gz LBTLDVKLJRMDQQ-WOPDTQHZSA-N 2 2 282.388 -0.467 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(N)=O ZINC001110159329 811510307 /nfs/dbraw/zinc/51/03/07/811510307.db2.gz LBTLDVKLJRMDQQ-WOPDTQHZSA-N 2 2 282.388 -0.467 20 0 CBADLP CC(C)[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001110159329 811510313 /nfs/dbraw/zinc/51/03/13/811510313.db2.gz LBTLDVKLJRMDQQ-WOPDTQHZSA-N 2 2 282.388 -0.467 20 0 CBADLP CC(C)[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001110159329 811510316 /nfs/dbraw/zinc/51/03/16/811510316.db2.gz LBTLDVKLJRMDQQ-WOPDTQHZSA-N 2 2 282.388 -0.467 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)CCCO1 ZINC001157704262 815454450 /nfs/dbraw/zinc/45/44/50/815454450.db2.gz WIRXFYXUXZMZPE-NTZNESFSSA-N 2 2 253.346 -0.425 20 0 CBADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(N)=O ZINC001110736573 811531738 /nfs/dbraw/zinc/53/17/38/811531738.db2.gz CTACHKPVDLWGGQ-UTUOFQBUSA-N 2 2 296.415 -0.077 20 0 CBADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(N)=O ZINC001110736573 811531745 /nfs/dbraw/zinc/53/17/45/811531745.db2.gz CTACHKPVDLWGGQ-UTUOFQBUSA-N 2 2 296.415 -0.077 20 0 CBADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001110736573 811531749 /nfs/dbraw/zinc/53/17/49/811531749.db2.gz CTACHKPVDLWGGQ-UTUOFQBUSA-N 2 2 296.415 -0.077 20 0 CBADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001110736573 811531755 /nfs/dbraw/zinc/53/17/55/811531755.db2.gz CTACHKPVDLWGGQ-UTUOFQBUSA-N 2 2 296.415 -0.077 20 0 CBADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1Cc2cncnc2C1 ZINC001157708542 815455212 /nfs/dbraw/zinc/45/52/12/815455212.db2.gz VFTXNNCAPLTMAQ-INTQDDNPSA-N 2 2 259.313 -0.731 20 0 CBADLP COC(=O)[C@]1(F)CCN(C(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)C1 ZINC001157715261 815455378 /nfs/dbraw/zinc/45/53/78/815455378.db2.gz DCQWLSVXWLRMNS-JIMOISOXSA-N 2 2 285.319 -0.949 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(N)=O ZINC001111466173 811548926 /nfs/dbraw/zinc/54/89/26/811548926.db2.gz LBTLDVKLJRMDQQ-UTUOFQBUSA-N 2 2 282.388 -0.467 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(N)=O ZINC001111466173 811548933 /nfs/dbraw/zinc/54/89/33/811548933.db2.gz LBTLDVKLJRMDQQ-UTUOFQBUSA-N 2 2 282.388 -0.467 20 0 CBADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001111466173 811548934 /nfs/dbraw/zinc/54/89/34/811548934.db2.gz LBTLDVKLJRMDQQ-UTUOFQBUSA-N 2 2 282.388 -0.467 20 0 CBADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001111466173 811548937 /nfs/dbraw/zinc/54/89/37/811548937.db2.gz LBTLDVKLJRMDQQ-UTUOFQBUSA-N 2 2 282.388 -0.467 20 0 CBADLP [NH3+]C1(C(=O)N2C[C@H](F)C[C@@H](CO)C2)CC[NH2+]CC1 ZINC001157728803 815456800 /nfs/dbraw/zinc/45/68/00/815456800.db2.gz BRCZKSSLIMUABG-NXEZZACHSA-N 2 2 259.325 -0.754 20 0 CBADLP CC[C@@H](C(=O)N[C@]12CCC[C@H]1C[N@H+](CC(N)=O)C2)[NH+](C)C ZINC001111875412 811558886 /nfs/dbraw/zinc/55/88/86/811558886.db2.gz ZGYIIHMQNJGAOA-HUBLWGQQSA-N 2 2 296.415 -0.217 20 0 CBADLP CC[C@@H](C(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(N)=O)C2)[NH+](C)C ZINC001111875412 811558888 /nfs/dbraw/zinc/55/88/88/811558888.db2.gz ZGYIIHMQNJGAOA-HUBLWGQQSA-N 2 2 296.415 -0.217 20 0 CBADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1C[C@H](F)C[C@H](CO)C1 ZINC001157731853 815459191 /nfs/dbraw/zinc/45/91/91/815459191.db2.gz XJSPUHZRAOJSQC-HHHUOAJASA-N 2 2 271.336 -0.885 20 0 CBADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H](F)C[C@@H](CO)C1 ZINC001157730766 815459554 /nfs/dbraw/zinc/45/95/54/815459554.db2.gz ONDQXRYETDVFHV-FXPVBKGRSA-N 2 2 270.308 -0.542 20 0 CBADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H](CO)C[C@H](F)C1 ZINC001157730772 815459580 /nfs/dbraw/zinc/45/95/80/815459580.db2.gz ONDQXRYETDVFHV-YWVKMMECSA-N 2 2 270.308 -0.542 20 0 CBADLP [NH3+]C1(C(=O)N2CC(F)(F)CC[C@@H]2CO)CC[NH2+]CC1 ZINC001157731060 815459854 /nfs/dbraw/zinc/45/98/54/815459854.db2.gz VIXYDJUCMTXTLY-SECBINFHSA-N 2 2 277.315 -0.314 20 0 CBADLP [NH3+]C[C@]1(F)CCCN(C(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)CC1 ZINC001157740707 815460339 /nfs/dbraw/zinc/46/03/39/815460339.db2.gz QPFJSCUMGFNKBH-FPMFFAJLSA-N 3 2 284.379 -0.383 20 0 CBADLP COC[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001113018859 811614646 /nfs/dbraw/zinc/61/46/46/811614646.db2.gz CKUXIKGPWSWGOU-KBPBESRZSA-N 2 2 299.415 -0.378 20 0 CBADLP COC[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001113018859 811614653 /nfs/dbraw/zinc/61/46/53/811614653.db2.gz CKUXIKGPWSWGOU-KBPBESRZSA-N 2 2 299.415 -0.378 20 0 CBADLP C[NH+](C)CC1(C(=O)N2CC[NH+](CCOCCO)CC2)CC1 ZINC001113270618 811625667 /nfs/dbraw/zinc/62/56/67/811625667.db2.gz VJOKZQBXQFMLRG-UHFFFAOYSA-N 2 2 299.415 -0.519 20 0 CBADLP C[C@H]1CC[N@H+](CC(=O)N2CC[NH+](CCOCCO)CC2)C1 ZINC001113346385 811632502 /nfs/dbraw/zinc/63/25/02/811632502.db2.gz YGRPGJPJTAHYGJ-AWEZNQCLSA-N 2 2 299.415 -0.519 20 0 CBADLP C[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](CCOCCO)CC2)C1 ZINC001113346385 811632510 /nfs/dbraw/zinc/63/25/10/811632510.db2.gz YGRPGJPJTAHYGJ-AWEZNQCLSA-N 2 2 299.415 -0.519 20 0 CBADLP COC[C@H](O)C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001113344276 811632575 /nfs/dbraw/zinc/63/25/75/811632575.db2.gz RAUVIKICSXXQHU-ZIAGYGMSSA-N 2 2 299.415 -0.378 20 0 CBADLP COC[C@H](O)C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001113344276 811632579 /nfs/dbraw/zinc/63/25/79/811632579.db2.gz RAUVIKICSXXQHU-ZIAGYGMSSA-N 2 2 299.415 -0.378 20 0 CBADLP C[C@@H](COCC(=O)N1CC[NH+](CCO)CC1)[NH+]1CCCC1 ZINC001113361785 811635332 /nfs/dbraw/zinc/63/53/32/811635332.db2.gz ZNGJRTJTSSTHJF-AWEZNQCLSA-N 2 2 299.415 -0.376 20 0 CBADLP C[C@@H]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)C[C@@H]1[NH3+] ZINC001157799850 815468258 /nfs/dbraw/zinc/46/82/58/815468258.db2.gz SVQQOAXMHSQMBB-DCQANWLSSA-N 3 2 252.362 -0.866 20 0 CBADLP C[C@@H]1CCN(C(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)C[C@@H]1[NH3+] ZINC001157799854 815468775 /nfs/dbraw/zinc/46/87/75/815468775.db2.gz SVQQOAXMHSQMBB-MPPDQPJWSA-N 3 2 252.362 -0.866 20 0 CBADLP C[C@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001157841105 815470465 /nfs/dbraw/zinc/47/04/65/815470465.db2.gz DZPSGWFAWCHUMX-LOWVWBTDSA-N 3 2 279.388 -0.124 20 0 CBADLP C[C@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001157844305 815470899 /nfs/dbraw/zinc/47/08/99/815470899.db2.gz VWXOMMRBBJAHRM-UMNHJUIQSA-N 3 2 265.361 -0.135 20 0 CBADLP C[C@H]1C[C@@H](CO)N(C(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)C1 ZINC001157853451 815471892 /nfs/dbraw/zinc/47/18/92/815471892.db2.gz CWEYYPIISCJYLV-INTQDDNPSA-N 2 2 252.318 -0.491 20 0 CBADLP C[C@@H]1CC[C@H](CO)CN1C(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001157854862 815473161 /nfs/dbraw/zinc/47/31/61/815473161.db2.gz JFMRNTWTLBYOEP-OWTLIXCDSA-N 2 2 267.373 -0.443 20 0 CBADLP C[C@H]1CC[C@@H](CO)CN1C(=O)C1([NH3+])CC[NH2+]CC1 ZINC001157855316 815473707 /nfs/dbraw/zinc/47/37/07/815473707.db2.gz MJHRCCYSOYDQNV-WDEREUQCSA-N 2 2 255.362 -0.313 20 0 CBADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)N2CCCNC(=O)C2)cc1 ZINC001157891388 815476673 /nfs/dbraw/zinc/47/66/73/815476673.db2.gz YJZIOPXHLBIVRZ-GFCCVEGCSA-N 2 2 276.340 -0.393 20 0 CBADLP [NH3+]C1(C(=O)N2C[C@@H](CO)CC(F)(F)C2)CC[NH2+]CC1 ZINC001157901422 815479082 /nfs/dbraw/zinc/47/90/82/815479082.db2.gz ZXBLBFPDTMCEBE-VIFPVBQESA-N 2 2 277.315 -0.457 20 0 CBADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](CO)CC(F)(F)C1 ZINC001157901312 815479473 /nfs/dbraw/zinc/47/94/73/815479473.db2.gz ZRPFEQPTTVOSNQ-WCBMZHEXSA-N 2 2 288.298 -0.244 20 0 CBADLP C[NH+]1CCN(C(=[NH2+])Nc2ncc(F)cc2C(N)=O)CC1 ZINC001157915845 815482168 /nfs/dbraw/zinc/48/21/68/815482168.db2.gz XJRZIGZIOUHTAA-UHFFFAOYSA-N 2 2 280.307 -0.086 20 0 CBADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@](F)(CO)CC1 ZINC001157935397 815488332 /nfs/dbraw/zinc/48/83/32/815488332.db2.gz UVPZUCAAMROXKG-WCQYABFASA-N 2 2 284.335 -0.007 20 0 CBADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@](F)(CO)CC1 ZINC001157935393 815488355 /nfs/dbraw/zinc/48/83/55/815488355.db2.gz UVPZUCAAMROXKG-AAEUAGOBSA-N 2 2 284.335 -0.007 20 0 CBADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)N2CC[C@@H](O)[C@@H](CO)C2)cc1 ZINC001157937587 815488609 /nfs/dbraw/zinc/48/86/09/815488609.db2.gz XIWLKQPMHFFLNI-HZSPNIEDSA-N 2 2 293.367 -0.540 20 0 CBADLP CN(C(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2)[C@H]1CC[C@H](O)CC1 ZINC001157990173 815495931 /nfs/dbraw/zinc/49/59/31/815495931.db2.gz YFFPAPZDRMPZDI-MNXVOIDGSA-N 2 2 267.373 -0.300 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@H](C[NH3+])C(C)C ZINC001157999778 815496751 /nfs/dbraw/zinc/49/67/51/815496751.db2.gz UMRRFGHKHYPDEB-QWRGUYRKSA-N 2 2 271.361 -0.419 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC001158000744 815497405 /nfs/dbraw/zinc/49/74/05/815497405.db2.gz ZHZFIYJOWMZCKZ-MXWKQRLJSA-N 2 2 269.345 -0.523 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1CSC[NH2+]1 ZINC001158000496 815497502 /nfs/dbraw/zinc/49/75/02/815497502.db2.gz YKHFSVMFLRPXHW-IUCAKERBSA-N 2 2 273.358 -0.988 20 0 CBADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)CCCCNC(N)=[NH2+] ZINC001158007764 815498074 /nfs/dbraw/zinc/49/80/74/815498074.db2.gz VPMGKUKOCZHTFW-SNVBAGLBSA-N 2 2 299.375 -0.997 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1C[NH2+]CC1(C)C ZINC001158007836 815498237 /nfs/dbraw/zinc/49/82/37/815498237.db2.gz WLCFDJSANZOVOC-QWRGUYRKSA-N 2 2 283.372 -0.405 20 0 CBADLP Cc1nnc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CC[NH+](C)C)o1 ZINC001114774925 812159509 /nfs/dbraw/zinc/15/95/09/812159509.db2.gz WXRAXIZKRABYBS-YABSGUDNSA-N 2 2 293.371 -0.124 20 0 CBADLP Cc1nnc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CC[NH+](C)C)o1 ZINC001114774925 812159512 /nfs/dbraw/zinc/15/95/12/812159512.db2.gz WXRAXIZKRABYBS-YABSGUDNSA-N 2 2 293.371 -0.124 20 0 CBADLP O=C(N1CCC[C@]12CCC[NH2+]C2)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001158159486 815506843 /nfs/dbraw/zinc/50/68/43/815506843.db2.gz CJQCAPRFLVGQAG-AEGPPILISA-N 3 2 278.400 -0.318 20 0 CBADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC2(COC2)C1 ZINC001158169238 815508315 /nfs/dbraw/zinc/50/83/15/815508315.db2.gz SZNGRSKYQNGGSV-JTQLQIEISA-N 2 2 250.302 -0.472 20 0 CBADLP Cn1cnc2cnc(-n3c[nH+]cc3C[C@@H]([NH3+])CO)nc21 ZINC001158203513 815512878 /nfs/dbraw/zinc/51/28/78/815512878.db2.gz BTLCJLRGHPERKJ-MRVPVSSYSA-N 2 2 273.300 -0.589 20 0 CBADLP COC(=O)c1ccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nn1 ZINC001158203290 815512891 /nfs/dbraw/zinc/51/28/91/815512891.db2.gz IINCZAAWKDLTJJ-MRVPVSSYSA-N 2 2 277.284 -0.689 20 0 CBADLP Cc1nc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)ncc1F ZINC001158204242 815512895 /nfs/dbraw/zinc/51/28/95/815512895.db2.gz OQZPHUIWANSGBZ-MRVPVSSYSA-N 2 2 251.265 -0.028 20 0 CBADLP CCOC(=O)c1ccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nn1 ZINC001158204954 815513744 /nfs/dbraw/zinc/51/37/44/815513744.db2.gz XLJAYRYMKHNQCC-SECBINFHSA-N 2 2 291.311 -0.299 20 0 CBADLP CN(C)c1cc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)ncn1 ZINC001158204292 815513874 /nfs/dbraw/zinc/51/38/74/815513874.db2.gz VDGCHKAIROIOER-SECBINFHSA-N 2 2 262.317 -0.410 20 0 CBADLP NC(=O)c1nc(Cl)cnc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001158206403 815514062 /nfs/dbraw/zinc/51/40/62/815514062.db2.gz MUCGWTUKOAIDHG-ZCFIWIBFSA-N 2 2 296.718 -0.723 20 0 CBADLP NC(=O)c1ccc(N2CCC([N@@H+]3CC[C@@H]([NH3+])C3)CC2)nn1 ZINC001158259622 815517197 /nfs/dbraw/zinc/51/71/97/815517197.db2.gz TVZLBAJNMAXZHL-SNVBAGLBSA-N 2 2 290.371 -0.423 20 0 CBADLP NC(=O)c1ccc(N2CCC([N@H+]3CC[C@@H]([NH3+])C3)CC2)nn1 ZINC001158259622 815517199 /nfs/dbraw/zinc/51/71/99/815517199.db2.gz TVZLBAJNMAXZHL-SNVBAGLBSA-N 2 2 290.371 -0.423 20 0 CBADLP NC(=O)c1cncc(N2CCC([N@@H+]3CC[C@H]([NH3+])C3)CC2)n1 ZINC001158259675 815517534 /nfs/dbraw/zinc/51/75/34/815517534.db2.gz VBTOABSBDNOUHF-JTQLQIEISA-N 2 2 290.371 -0.423 20 0 CBADLP NC(=O)c1cncc(N2CCC([N@H+]3CC[C@H]([NH3+])C3)CC2)n1 ZINC001158259675 815517540 /nfs/dbraw/zinc/51/75/40/815517540.db2.gz VBTOABSBDNOUHF-JTQLQIEISA-N 2 2 290.371 -0.423 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)C1 ZINC001158337244 815521328 /nfs/dbraw/zinc/52/13/28/815521328.db2.gz RHFBTWBTRIFQQB-UQOMUDLDSA-N 3 2 286.379 -0.227 20 0 CBADLP O=C(N1CC[C@@H]2CCO[C@H]2C1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001158340019 815521575 /nfs/dbraw/zinc/52/15/75/815521575.db2.gz XRTBWYSLBNSZDR-OWTLIXCDSA-N 2 2 265.357 -0.425 20 0 CBADLP Cc1[nH]c2c([nH+]1)CCN(C(=O)[C@@H]1C[C@H]3C[NH2+]C[C@H]3N1)CC2 ZINC001158339219 815521746 /nfs/dbraw/zinc/52/17/46/815521746.db2.gz KVXUBSOPWBFYAJ-LEWSCRJBSA-N 2 2 289.383 -0.405 20 0 CBADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H]2CCO[C@H]2C1 ZINC001158340101 815522112 /nfs/dbraw/zinc/52/21/12/815522112.db2.gz YRMDFQAYDHIYLR-JLLWLGSASA-N 2 2 264.329 -0.083 20 0 CBADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)N2CCS(=O)(=O)CC2)cc1 ZINC001158368646 815522565 /nfs/dbraw/zinc/52/25/65/815522565.db2.gz HCDBSNQZFUKFIS-LBPRGKRZSA-N 2 2 297.380 -0.484 20 0 CBADLP C[NH2+]C[C@@H]1CCC[N@H+](CC(=O)N2CC[NH2+]CC2)C1 ZINC001118261446 812511766 /nfs/dbraw/zinc/51/17/66/812511766.db2.gz VJGAHDBAQOREHV-LBPRGKRZSA-N 3 2 254.378 -0.650 20 0 CBADLP C[NH2+]C[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH2+]CC2)C1 ZINC001118261446 812511773 /nfs/dbraw/zinc/51/17/73/812511773.db2.gz VJGAHDBAQOREHV-LBPRGKRZSA-N 3 2 254.378 -0.650 20 0 CBADLP CC(C)(C[NH3+])C(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001118287058 812519203 /nfs/dbraw/zinc/51/92/03/812519203.db2.gz QKVCHZMCXRCLFH-VIFPVBQESA-N 2 2 256.350 -0.963 20 0 CBADLP CC(C)(C[NH3+])C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001118287058 812519209 /nfs/dbraw/zinc/51/92/09/812519209.db2.gz QKVCHZMCXRCLFH-VIFPVBQESA-N 2 2 256.350 -0.963 20 0 CBADLP [NH3+]C1([C@H]2CN(C(=O)[C@@H]3C[C@H]4C[NH2+]C[C@H]4[NH2+]3)C[C@@H]2CF)CC1 ZINC001158566319 815538198 /nfs/dbraw/zinc/53/81/98/815538198.db2.gz BSOWKIJGDADURX-PJSNJIKXSA-N 3 2 296.390 -0.528 20 0 CBADLP [NH3+]C1([C@@H]2CN(C(=O)C3([NH3+])CC[NH2+]CC3)C[C@@H]2CF)CC1 ZINC001158576190 815539518 /nfs/dbraw/zinc/53/95/18/815539518.db2.gz AFEFFBMWRZAICK-WDEREUQCSA-N 3 2 284.379 -0.397 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@@H]([NH3+])Cc2cncn2C)CC1 ZINC001158604229 815540862 /nfs/dbraw/zinc/54/08/62/815540862.db2.gz KWPANDCZGKVCKG-ZDUSSCGKSA-N 2 2 295.387 -0.920 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC[C@](C)(O)C[NH+](C)C ZINC001118777143 812626238 /nfs/dbraw/zinc/62/62/38/812626238.db2.gz YQTNFFRZKJLOIS-LBPRGKRZSA-N 2 2 254.334 -0.609 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCCC(=O)CC1 ZINC001158659695 815543219 /nfs/dbraw/zinc/54/32/19/815543219.db2.gz RELWVZMACBYNER-LBPRGKRZSA-N 2 2 264.329 -0.129 20 0 CBADLP c1c[nH+]c(Cn2cc(CCN3CC[NH2+]CC3)nn2)[nH]1 ZINC001119278020 812738750 /nfs/dbraw/zinc/73/87/50/812738750.db2.gz KZCQDHSMNDJGQL-UHFFFAOYSA-N 2 2 261.333 -0.503 20 0 CBADLP C[NH+]1CC2(CN(c3ccc(N4CC[NH+](C)CC4)nn3)C2)C1 ZINC001158859718 815550927 /nfs/dbraw/zinc/55/09/27/815550927.db2.gz KWSKIWMLXOBZMX-UHFFFAOYSA-N 2 2 288.399 -0.020 20 0 CBADLP [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC001119367992 812768512 /nfs/dbraw/zinc/76/85/12/812768512.db2.gz BWSKJXQRZZILLX-PHIMTYICSA-N 2 2 280.372 -0.854 20 0 CBADLP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC001119417356 812778541 /nfs/dbraw/zinc/77/85/41/812778541.db2.gz OXDHNYABFAYRCC-GMTAPVOTSA-N 2 2 291.355 -0.738 20 0 CBADLP O=C1NC[C@H](O)CC12CC[NH+](C[C@H]1CCC[NH2+]1)CC2 ZINC001119617439 812834420 /nfs/dbraw/zinc/83/44/20/812834420.db2.gz PFBAUFVFRPYZGW-VXGBXAGGSA-N 2 2 267.373 -0.299 20 0 CBADLP [NH3+]CCCCNC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001120545145 812987425 /nfs/dbraw/zinc/98/74/25/812987425.db2.gz ZZXOIWNJTJGANZ-UHFFFAOYSA-N 3 2 257.382 -0.552 20 0 CBADLP COC[C@@H]1C[NH2+]CCN1C(=O)NCc1c[nH+]cn1C ZINC001120623984 813000644 /nfs/dbraw/zinc/00/06/44/813000644.db2.gz ZZERKXRTBMXLSR-NSHDSACASA-N 2 2 267.333 -0.450 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC001120647724 813006360 /nfs/dbraw/zinc/00/63/60/813006360.db2.gz CDLUVDWJGDMLBP-RYUDHWBXSA-N 3 2 267.377 -0.835 20 0 CBADLP [NH3+]C[C@H]1CCCN1C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001120648774 813006663 /nfs/dbraw/zinc/00/66/63/813006663.db2.gz LWTQXJQZSIZLOT-GFCCVEGCSA-N 3 2 269.393 -0.458 20 0 CBADLP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC001121990845 813100834 /nfs/dbraw/zinc/10/08/34/813100834.db2.gz IZPVDALFUVZZRY-MXWKQRLJSA-N 2 2 254.334 -0.396 20 0 CBADLP C[C@H]([C@H](C)NC(=O)[C@@H]1C[C@@H]1C[NH3+])[NH+]1CCOCC1 ZINC001121997549 813102380 /nfs/dbraw/zinc/10/23/80/813102380.db2.gz GZZDXIDHAFZWAS-IRCOFANPSA-N 2 2 255.362 -0.193 20 0 CBADLP C[NH2+]C[C@H](O)[C@H](C)C(=O)N(C)CCCn1cc[nH+]c1 ZINC001122046387 813109483 /nfs/dbraw/zinc/10/94/83/813109483.db2.gz MKDRPSPWGTUMCY-RYUDHWBXSA-N 2 2 268.361 -0.052 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC001122067297 813111810 /nfs/dbraw/zinc/11/18/10/813111810.db2.gz CCZAYFUQQAEBOG-KOLCDFICSA-N 2 2 252.318 -0.307 20 0 CBADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC001122067297 813111815 /nfs/dbraw/zinc/11/18/15/813111815.db2.gz CCZAYFUQQAEBOG-KOLCDFICSA-N 2 2 252.318 -0.307 20 0 CBADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[NH2+]C[C@@H]2O)c[nH+]1 ZINC001122155744 813124891 /nfs/dbraw/zinc/12/48/91/813124891.db2.gz BUNNTVUMRDCITB-ZJUUUORDSA-N 2 2 252.318 -0.624 20 0 CBADLP CN1CCCC[C@H](C(=O)NCC[NH+]2CCC([NH3+])CC2)C1=O ZINC001122157708 813126250 /nfs/dbraw/zinc/12/62/50/813126250.db2.gz UEFYDYUPFGNCLU-CYBMUJFWSA-N 2 2 296.415 -0.216 20 0 CBADLP C[C@@H]1C[NH2+][C@@H](C)[C@H](C)N1C(=O)CN1CC[NH2+]CC1=O ZINC001122182490 813128789 /nfs/dbraw/zinc/12/87/89/813128789.db2.gz VRYXVHOYMQSLAL-VWYCJHECSA-N 2 2 268.361 -0.985 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001122238528 813137341 /nfs/dbraw/zinc/13/73/41/813137341.db2.gz FNSWAPKWTSCZBX-UHFFFAOYSA-N 3 2 265.361 -0.269 20 0 CBADLP COC[C@@H]1C[NH2+]CCN1C(=O)C[C@@H]([NH3+])C(F)F ZINC001122417305 813162134 /nfs/dbraw/zinc/16/21/34/813162134.db2.gz CYRLESGIFVYFBU-JGVFFNPUSA-N 2 2 251.277 -0.584 20 0 CBADLP COC[C@@H]1C[NH2+]CCN1C(=O)C[C@H]([NH3+])C(F)F ZINC001122417307 813162182 /nfs/dbraw/zinc/16/21/82/813162182.db2.gz CYRLESGIFVYFBU-YUMQZZPRSA-N 2 2 251.277 -0.584 20 0 CBADLP NC(=O)[C@H]1CCCN1c1cc(N[C@@H]([NH3+])CCC[NH3+])nc[nH+]1 ZINC001159790023 815596629 /nfs/dbraw/zinc/59/66/29/815596629.db2.gz ZUZOJCOTCDSDFS-NXEZZACHSA-N 3 2 293.375 -0.634 20 0 CBADLP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCCCn1cc[nH+]c1 ZINC001123476857 813241949 /nfs/dbraw/zinc/24/19/49/813241949.db2.gz RHTQNFPZQWUCTR-STQMWFEESA-N 2 2 277.372 -0.222 20 0 CBADLP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCCCn1cc[nH+]c1 ZINC001123476857 813241953 /nfs/dbraw/zinc/24/19/53/813241953.db2.gz RHTQNFPZQWUCTR-STQMWFEESA-N 2 2 277.372 -0.222 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccon1 ZINC001124866905 813489035 /nfs/dbraw/zinc/48/90/35/813489035.db2.gz NMCLPWUJFAMJFF-NSHDSACASA-N 2 2 252.318 -0.025 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccon1 ZINC001124866905 813489038 /nfs/dbraw/zinc/48/90/38/813489038.db2.gz NMCLPWUJFAMJFF-NSHDSACASA-N 2 2 252.318 -0.025 20 0 CBADLP Cn1ncc(C[NH2+]CCNC(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001124873531 813493561 /nfs/dbraw/zinc/49/35/61/813493561.db2.gz XFOAOXNBDKTOMV-LLVKDONJSA-N 2 2 266.349 -0.885 20 0 CBADLP Cn1ncc(C[NH2+]CCNC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001124873531 813493566 /nfs/dbraw/zinc/49/35/66/813493566.db2.gz XFOAOXNBDKTOMV-LLVKDONJSA-N 2 2 266.349 -0.885 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC001124877657 813493761 /nfs/dbraw/zinc/49/37/61/813493761.db2.gz HOZFLESYHCWGRT-LLVKDONJSA-N 2 2 292.387 -0.018 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC001124877657 813493764 /nfs/dbraw/zinc/49/37/64/813493764.db2.gz HOZFLESYHCWGRT-LLVKDONJSA-N 2 2 292.387 -0.018 20 0 CBADLP Cn1ncc(C[NH2+]CCNC(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC001124873532 813494414 /nfs/dbraw/zinc/49/44/14/813494414.db2.gz XFOAOXNBDKTOMV-NSHDSACASA-N 2 2 266.349 -0.885 20 0 CBADLP Cn1ncc(C[NH2+]CCNC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001124873532 813494416 /nfs/dbraw/zinc/49/44/16/813494416.db2.gz XFOAOXNBDKTOMV-NSHDSACASA-N 2 2 266.349 -0.885 20 0 CBADLP CCn1ccnc1C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125213596 813532135 /nfs/dbraw/zinc/53/21/35/813532135.db2.gz IHUGNUUFXIYHFZ-GFCCVEGCSA-N 2 2 295.387 -0.561 20 0 CBADLP CCn1ccnc1C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125213596 813532141 /nfs/dbraw/zinc/53/21/41/813532141.db2.gz IHUGNUUFXIYHFZ-GFCCVEGCSA-N 2 2 295.387 -0.561 20 0 CBADLP Cn1nncc1C[NH2+]CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001126436484 813648385 /nfs/dbraw/zinc/64/83/85/813648385.db2.gz BXAWSLBOVXXDIP-UHFFFAOYSA-N 2 2 277.332 -0.623 20 0 CBADLP CCn1nncc1C[NH2+]CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001126437293 813648752 /nfs/dbraw/zinc/64/87/52/813648752.db2.gz XXMLBGLCBQQLHM-UHFFFAOYSA-N 2 2 291.359 -0.140 20 0 CBADLP O=C(CCc1[nH]cc[nH+]1)NCC[NH2+]CCN1CCNC1=O ZINC001126436666 813648880 /nfs/dbraw/zinc/64/88/80/813648880.db2.gz GPROMOOKXJQCMH-UHFFFAOYSA-N 2 2 294.359 -0.927 20 0 CBADLP Cc1nonc1C[NH2+]CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127474212 813732286 /nfs/dbraw/zinc/73/22/86/813732286.db2.gz JWMQLCZUEKAQSO-LBPRGKRZSA-N 2 2 293.371 -0.074 20 0 CBADLP CCNC(=O)C[NH2+]CCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001130164591 813911532 /nfs/dbraw/zinc/91/15/32/813911532.db2.gz BWGSODFHKGQAKP-UHFFFAOYSA-N 2 2 295.387 -0.231 20 0 CBADLP Cc1cn(C(C)(C)C(=O)NCC[NH2+]CC(N)=O)c[nH+]1 ZINC001130165074 813914730 /nfs/dbraw/zinc/91/47/30/813914730.db2.gz LGWAJJLBWPJSIF-UHFFFAOYSA-N 2 2 267.333 -0.882 20 0 CBADLP Cc1cc(C[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)no1 ZINC001130187558 813916974 /nfs/dbraw/zinc/91/69/74/813916974.db2.gz YHZBRVJMCGLEMN-DGCLKSJQSA-N 2 2 296.371 -0.092 20 0 CBADLP Cc1cc(C[NH2+]CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)no1 ZINC001130187558 813916979 /nfs/dbraw/zinc/91/69/79/813916979.db2.gz YHZBRVJMCGLEMN-DGCLKSJQSA-N 2 2 296.371 -0.092 20 0 CBADLP Cc1cnc(C[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)o1 ZINC001130187316 813917256 /nfs/dbraw/zinc/91/72/56/813917256.db2.gz RSVOVKRFHWLLQT-VXGBXAGGSA-N 2 2 296.371 -0.092 20 0 CBADLP Cc1cnc(C[NH2+]CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)o1 ZINC001130187316 813917259 /nfs/dbraw/zinc/91/72/59/813917259.db2.gz RSVOVKRFHWLLQT-VXGBXAGGSA-N 2 2 296.371 -0.092 20 0 CBADLP CCn1ncc(C[NH2+]CCNC(=O)[C@H]2CCCC[N@@H+]2C)n1 ZINC001130296721 813923269 /nfs/dbraw/zinc/92/32/69/813923269.db2.gz BMOATFSNGQLIBT-CYBMUJFWSA-N 2 2 294.403 -0.012 20 0 CBADLP CCn1ncc(C[NH2+]CCNC(=O)[C@H]2CCCC[N@H+]2C)n1 ZINC001130296721 813923274 /nfs/dbraw/zinc/92/32/74/813923274.db2.gz BMOATFSNGQLIBT-CYBMUJFWSA-N 2 2 294.403 -0.012 20 0 CBADLP C[C@@H]([NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C)c1nnnn1C ZINC001130300609 813924005 /nfs/dbraw/zinc/92/40/05/813924005.db2.gz SMBAUSIMSNBWBD-GHMZBOCLSA-N 2 2 295.391 -0.539 20 0 CBADLP C[C@@H]([NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C)c1nnnn1C ZINC001130300609 813924013 /nfs/dbraw/zinc/92/40/13/813924013.db2.gz SMBAUSIMSNBWBD-GHMZBOCLSA-N 2 2 295.391 -0.539 20 0 CBADLP C[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CCS(C)(=O)=O ZINC001130297760 813924442 /nfs/dbraw/zinc/92/44/42/813924442.db2.gz QSDSZONEAMUHGL-NSHDSACASA-N 2 2 291.417 -0.779 20 0 CBADLP C[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CCS(C)(=O)=O ZINC001130297760 813924448 /nfs/dbraw/zinc/92/44/48/813924448.db2.gz QSDSZONEAMUHGL-NSHDSACASA-N 2 2 291.417 -0.779 20 0 CBADLP Cn1ncnc1C[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001130297660 813924736 /nfs/dbraw/zinc/92/47/36/813924736.db2.gz OKZUGTQBEKSHAL-LLVKDONJSA-N 2 2 280.376 -0.495 20 0 CBADLP Cn1ncnc1C[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001130297660 813924743 /nfs/dbraw/zinc/92/47/43/813924743.db2.gz OKZUGTQBEKSHAL-LLVKDONJSA-N 2 2 280.376 -0.495 20 0 CBADLP CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001130403683 813936660 /nfs/dbraw/zinc/93/66/60/813936660.db2.gz AFWMMQHUGCRMMX-LLVKDONJSA-N 2 2 293.371 -0.713 20 0 CBADLP COC[C@H](O)C[NH2+]CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001130404399 813936728 /nfs/dbraw/zinc/93/67/28/813936728.db2.gz JKPPZJBIIYRKLC-WCQYABFASA-N 2 2 296.371 -0.841 20 0 CBADLP CC[C@@H]([NH2+]CCNC(=O)[C@H]1CCc2[nH+]ccn2C1)C(N)=O ZINC001130481473 813943175 /nfs/dbraw/zinc/94/31/75/813943175.db2.gz UJGAEJRASHIBGP-WDEREUQCSA-N 2 2 293.371 -0.585 20 0 CBADLP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)C(N)=O ZINC001130481324 813943539 /nfs/dbraw/zinc/94/35/39/813943539.db2.gz PRZDRXVOMVNJIA-NXEZZACHSA-N 2 2 279.344 -0.975 20 0 CBADLP CC[C@H]([NH2+]CCNC(=O)[C@H]1CCn2cc[nH+]c2C1)C(N)=O ZINC001130484179 813943634 /nfs/dbraw/zinc/94/36/34/813943634.db2.gz GVYWYVZSZBUFCD-QWRGUYRKSA-N 2 2 293.371 -0.585 20 0 CBADLP C[C@H](O)C[NH2+]CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001130477536 813943875 /nfs/dbraw/zinc/94/38/75/813943875.db2.gz GIJKGRQHIQJTDD-QWRGUYRKSA-N 2 2 266.345 -0.468 20 0 CBADLP CN(C)C(=O)C[NH2+]CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001130477670 813943925 /nfs/dbraw/zinc/94/39/25/813943925.db2.gz HNPJNJBLEFHUHG-NSHDSACASA-N 2 2 293.371 -0.761 20 0 CBADLP COC[C@H](O)C[NH2+]CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001130477497 813944198 /nfs/dbraw/zinc/94/41/98/813944198.db2.gz FCTNZMIJXBFLNK-NWDGAFQWSA-N 2 2 296.371 -0.841 20 0 CBADLP O=C(NCC[NH2+]CCO)[C@@H]1CCc2[nH+]ccn2C1 ZINC001130481553 813944226 /nfs/dbraw/zinc/94/42/26/813944226.db2.gz WDIHSDGONGQCBF-SNVBAGLBSA-N 2 2 252.318 -0.856 20 0 CBADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)NCC[NH2+][C@H](C)C(N)=O)C2 ZINC001130491271 813946636 /nfs/dbraw/zinc/94/66/36/813946636.db2.gz OWSZUCGNQYRVMB-SCZZXKLOSA-N 2 2 293.371 -0.597 20 0 CBADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)NCC[NH2+][C@H](C)C(N)=O)CC2 ZINC001130491271 813946641 /nfs/dbraw/zinc/94/66/41/813946641.db2.gz OWSZUCGNQYRVMB-SCZZXKLOSA-N 2 2 293.371 -0.597 20 0 CBADLP CC[C@H]([NH2+]CCNC(=O)c1cc(C[NH+](C)C)on1)C(N)=O ZINC001130647973 813958473 /nfs/dbraw/zinc/95/84/73/813958473.db2.gz GICHLMMKVYPIIM-JTQLQIEISA-N 2 2 297.359 -0.681 20 0 CBADLP CN(C)C(=O)C[NH2+]CCNC(=O)c1cc(C[NH+](C)C)on1 ZINC001130648165 813959885 /nfs/dbraw/zinc/95/98/85/813959885.db2.gz IOEDFGUWLWMVCR-UHFFFAOYSA-N 2 2 297.359 -0.856 20 0 CBADLP Cn1nnnc1C[NH2+]CCNC(=O)C12CCC[NH+]1CCC2 ZINC001130805605 813983162 /nfs/dbraw/zinc/98/31/62/813983162.db2.gz CMWZFAYCDYKXIZ-UHFFFAOYSA-N 2 2 293.375 -0.956 20 0 CBADLP NC(=O)C[NH2+]CCNC(=O)c1cccc2[nH+]ccn21 ZINC001131270691 814015511 /nfs/dbraw/zinc/01/55/11/814015511.db2.gz PQAKOARRKLVXAL-UHFFFAOYSA-N 2 2 261.285 -0.861 20 0 CBADLP COC[C@@H](O)C[NH2+]CCNC(=O)c1cccc2[nH+]ccn21 ZINC001131270325 814015614 /nfs/dbraw/zinc/01/56/14/814015614.db2.gz HWNCKTXMLJUJFY-NSHDSACASA-N 2 2 292.339 -0.339 20 0 CBADLP COC[C@H](O)C[NH2+]CCNC(=O)c1cccc2[nH+]ccn21 ZINC001131270324 814015890 /nfs/dbraw/zinc/01/58/90/814015890.db2.gz HWNCKTXMLJUJFY-LLVKDONJSA-N 2 2 292.339 -0.339 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NCC[NH2+]Cc1nonc1C ZINC001131380710 814028136 /nfs/dbraw/zinc/02/81/36/814028136.db2.gz XOOOBSQMEYQTPU-UHFFFAOYSA-N 2 2 278.316 -0.211 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)NCC[NH2+]CC(=O)NC1CC1 ZINC001131639826 814049721 /nfs/dbraw/zinc/04/97/21/814049721.db2.gz PHAMBGVHJOXFFT-UHFFFAOYSA-N 2 2 293.371 -0.663 20 0 CBADLP COC[C@H](O)C[NH2+]CCNC(=O)CCc1[nH+]ccn1C ZINC001131642149 814050205 /nfs/dbraw/zinc/05/02/05/814050205.db2.gz ZONWQZQWZDSEII-LLVKDONJSA-N 2 2 284.360 -0.934 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)NCC[NH2+]CCn1cccn1 ZINC001131652203 814050682 /nfs/dbraw/zinc/05/06/82/814050682.db2.gz CTQNIIHNKWTQND-UHFFFAOYSA-N 2 2 290.371 -0.045 20 0 CBADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCC[NH2+]CCO ZINC001131822875 814070815 /nfs/dbraw/zinc/07/08/15/814070815.db2.gz WSCZMBRATUPQBT-GFCCVEGCSA-N 2 2 273.377 -0.815 20 0 CBADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NCC[NH2+]CCO ZINC001131822875 814070822 /nfs/dbraw/zinc/07/08/22/814070822.db2.gz WSCZMBRATUPQBT-GFCCVEGCSA-N 2 2 273.377 -0.815 20 0 CBADLP C[C@@H](O)C[NH2+]CCNC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC001131824661 814070874 /nfs/dbraw/zinc/07/08/74/814070874.db2.gz FIVMVZPTXHFZIA-TZMCWYRMSA-N 2 2 299.415 -0.426 20 0 CBADLP C[C@@H](O)C[NH2+]CCNC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC001131824661 814070884 /nfs/dbraw/zinc/07/08/84/814070884.db2.gz FIVMVZPTXHFZIA-TZMCWYRMSA-N 2 2 299.415 -0.426 20 0 CBADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCC[NH2+]C[C@H](C)O ZINC001131822519 814071284 /nfs/dbraw/zinc/07/12/84/814071284.db2.gz QOYOMLIQOQNENQ-QWHCGFSZSA-N 2 2 287.404 -0.426 20 0 CBADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NCC[NH2+]C[C@H](C)O ZINC001131822519 814071290 /nfs/dbraw/zinc/07/12/90/814071290.db2.gz QOYOMLIQOQNENQ-QWHCGFSZSA-N 2 2 287.404 -0.426 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)CCn1cc[nH+]c1 ZINC001132082686 814102387 /nfs/dbraw/zinc/10/23/87/814102387.db2.gz UEOUXIHADKMOJN-SNVBAGLBSA-N 2 2 267.333 -0.887 20 0 CBADLP C[C@H]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C[N@@H+]1CC(N)=O ZINC001132265669 814117821 /nfs/dbraw/zinc/11/78/21/814117821.db2.gz QVFPTMMXVALHNQ-NWDGAFQWSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@H]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C[N@H+]1CC(N)=O ZINC001132265669 814117828 /nfs/dbraw/zinc/11/78/28/814117828.db2.gz QVFPTMMXVALHNQ-NWDGAFQWSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@@H]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C[N@@H+]1CC(N)=O ZINC001132265671 814118425 /nfs/dbraw/zinc/11/84/25/814118425.db2.gz QVFPTMMXVALHNQ-VXGBXAGGSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@@H]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C[N@H+]1CC(N)=O ZINC001132265671 814118428 /nfs/dbraw/zinc/11/84/28/814118428.db2.gz QVFPTMMXVALHNQ-VXGBXAGGSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@H](O)C[NH2+]CCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001132783916 814189232 /nfs/dbraw/zinc/18/92/32/814189232.db2.gz AFWKTIBRTZEHRM-GXTWGEPZSA-N 2 2 299.415 -0.284 20 0 CBADLP C[C@H](O)C[NH2+]CCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001132783916 814189236 /nfs/dbraw/zinc/18/92/36/814189236.db2.gz AFWKTIBRTZEHRM-GXTWGEPZSA-N 2 2 299.415 -0.284 20 0 CBADLP CC(C)[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2ccon2)C1 ZINC001132848316 814194133 /nfs/dbraw/zinc/19/41/33/814194133.db2.gz DVGYQUODWAUKJY-ZDUSSCGKSA-N 2 2 296.371 -0.010 20 0 CBADLP CC(C)[N@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2ccon2)C1 ZINC001132848316 814194134 /nfs/dbraw/zinc/19/41/34/814194134.db2.gz DVGYQUODWAUKJY-ZDUSSCGKSA-N 2 2 296.371 -0.010 20 0 CBADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+]CCCF ZINC001133255643 814233399 /nfs/dbraw/zinc/23/33/99/814233399.db2.gz TVZQXSWCEPEISK-LBPRGKRZSA-N 2 2 299.350 -0.478 20 0 CBADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[NH2+]CCCF ZINC001133255643 814233405 /nfs/dbraw/zinc/23/34/05/814233405.db2.gz TVZQXSWCEPEISK-LBPRGKRZSA-N 2 2 299.350 -0.478 20 0 CBADLP Cc1nnc(C[NH2+]CCNC(=O)C2CC[NH+](C)CC2)o1 ZINC001133286142 814236610 /nfs/dbraw/zinc/23/66/10/814236610.db2.gz ZKGTZNLFIOPSDS-UHFFFAOYSA-N 2 2 281.360 -0.074 20 0 CBADLP O=C(NCC[NH2+][C@H]1CCNC1=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001133664445 814283611 /nfs/dbraw/zinc/28/36/11/814283611.db2.gz RGIVVHKOBWPEFX-KOLCDFICSA-N 2 2 291.355 -0.576 20 0 CBADLP C[C@@H](O)C[NH2+]CCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001133664455 814283670 /nfs/dbraw/zinc/28/36/70/814283670.db2.gz RHBFPPLNSHKPHI-ZJUUUORDSA-N 2 2 266.345 -0.084 20 0 CBADLP O=C(NCC[NH2+][C@@H]1CCNC1=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001133664446 814284649 /nfs/dbraw/zinc/28/46/49/814284649.db2.gz RGIVVHKOBWPEFX-MWLCHTKSSA-N 2 2 291.355 -0.576 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]Cc1csnn1 ZINC001133869199 814313845 /nfs/dbraw/zinc/31/38/45/814313845.db2.gz CEFTYYAYZSWVKL-MWLCHTKSSA-N 2 2 283.401 -0.058 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]Cc1csnn1 ZINC001133869199 814313855 /nfs/dbraw/zinc/31/38/55/814313855.db2.gz CEFTYYAYZSWVKL-MWLCHTKSSA-N 2 2 283.401 -0.058 20 0 CBADLP Cc1nnc(C[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)o1 ZINC001133870127 814318202 /nfs/dbraw/zinc/31/82/02/814318202.db2.gz QFIFODDWAPDLME-ONGXEEELSA-N 2 2 281.360 -0.218 20 0 CBADLP Cc1nnc(C[NH2+]CCNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)o1 ZINC001133870127 814318209 /nfs/dbraw/zinc/31/82/09/814318209.db2.gz QFIFODDWAPDLME-ONGXEEELSA-N 2 2 281.360 -0.218 20 0 CBADLP CC[C@@H](C)NC(=O)[C@H](C)[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001134400678 814379458 /nfs/dbraw/zinc/37/94/58/814379458.db2.gz MXCZAXPWUDKNKT-MNOVXSKESA-N 2 2 295.387 -0.039 20 0 CBADLP CC(C)N1CC[C@@H]([NH2+]CCNC(=O)Cc2c[nH]c[nH+]2)C1=O ZINC001134397946 814380594 /nfs/dbraw/zinc/38/05/94/814380594.db2.gz ZGVTXSMUZJGCQW-GFCCVEGCSA-N 2 2 293.371 -0.333 20 0 CBADLP CCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001134400298 814381102 /nfs/dbraw/zinc/38/11/02/814381102.db2.gz JDKKNJXKSQVVGN-NSHDSACASA-N 2 2 295.387 -0.037 20 0 CBADLP CCN(CC)C(=O)[C@H](C)[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001134401312 814381754 /nfs/dbraw/zinc/38/17/54/814381754.db2.gz YEOPMDAVCLFASE-NSHDSACASA-N 2 2 295.387 -0.085 20 0 CBADLP CCCCNC(=O)C[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001134406930 814382020 /nfs/dbraw/zinc/38/20/20/814382020.db2.gz IQNYTIKAWSRLAN-UHFFFAOYSA-N 2 2 281.360 -0.426 20 0 CBADLP COC[C@H](O)C[NH2+]CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001134498676 814387883 /nfs/dbraw/zinc/38/78/83/814387883.db2.gz MVGHKGYBUYTQEQ-NWDGAFQWSA-N 2 2 284.360 -0.453 20 0 CBADLP C[C@H](CC(=O)NCC[NH2+]CCOCCO)n1cc[nH+]c1 ZINC001134498519 814388353 /nfs/dbraw/zinc/38/83/53/814388353.db2.gz IRAXKZVRJKSJLS-GFCCVEGCSA-N 2 2 284.360 -0.451 20 0 CBADLP C[C@@H](O)C[NH2+]CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001134498433 814388928 /nfs/dbraw/zinc/38/89/28/814388928.db2.gz GLBHQJYPNPXUAH-GHMZBOCLSA-N 2 2 254.334 -0.079 20 0 CBADLP COC[C@H](O)C[NH2+]CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001134498678 814389101 /nfs/dbraw/zinc/38/91/01/814389101.db2.gz MVGHKGYBUYTQEQ-VXGBXAGGSA-N 2 2 284.360 -0.453 20 0 CBADLP C[C@@H](CC(=O)NCC[NH2+]CCCO)n1cc[nH+]c1 ZINC001134517270 814392433 /nfs/dbraw/zinc/39/24/33/814392433.db2.gz BDZDRMOKLFBOJE-NSHDSACASA-N 2 2 254.334 -0.078 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+]CC(=O)N(C)C ZINC001135080106 814434788 /nfs/dbraw/zinc/43/47/88/814434788.db2.gz KYJUOMWWEPAFAD-SNVBAGLBSA-N 2 2 281.360 -0.618 20 0 CBADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+][C@@H]1CCN(C)C1=O ZINC001135072473 814435113 /nfs/dbraw/zinc/43/51/13/814435113.db2.gz XIBDFWALWIKDSA-CMPLNLGQSA-N 2 2 293.371 -0.475 20 0 CBADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[NH2+][C@@H]1CCN(C)C1=O ZINC001135072473 814435117 /nfs/dbraw/zinc/43/51/17/814435117.db2.gz XIBDFWALWIKDSA-CMPLNLGQSA-N 2 2 293.371 -0.475 20 0 CBADLP COC[C@@H](O)C[NH2+]CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001135079646 814435160 /nfs/dbraw/zinc/43/51/60/814435160.db2.gz BKJOIZJOBPBMHK-JQWIXIFHSA-N 2 2 284.360 -0.699 20 0 CBADLP COC[C@@H](O)C[NH2+]CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001135079646 814435166 /nfs/dbraw/zinc/43/51/66/814435166.db2.gz BKJOIZJOBPBMHK-JQWIXIFHSA-N 2 2 284.360 -0.699 20 0 CBADLP CC(C)NC(=O)C[NH2+]CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001135079999 814435479 /nfs/dbraw/zinc/43/54/79/814435479.db2.gz IXCRCSAOBHWHBO-LLVKDONJSA-N 2 2 295.387 -0.181 20 0 CBADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+]CCCO ZINC001135071907 814435673 /nfs/dbraw/zinc/43/56/73/814435673.db2.gz LYJFPESLYZGXTH-JTQLQIEISA-N 2 2 254.334 -0.324 20 0 CBADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[NH2+]CCCO ZINC001135071907 814435679 /nfs/dbraw/zinc/43/56/79/814435679.db2.gz LYJFPESLYZGXTH-JTQLQIEISA-N 2 2 254.334 -0.324 20 0 CBADLP CNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001135130789 814438943 /nfs/dbraw/zinc/43/89/43/814438943.db2.gz AOKMANZYTKODIB-RYUDHWBXSA-N 2 2 295.387 -0.108 20 0 CBADLP C[C@H](C[C@@H](C)[NH2+]CC(N)=O)NC(=O)CCn1cc[nH+]c1 ZINC001135136226 814438985 /nfs/dbraw/zinc/43/89/85/814438985.db2.gz GTGDCSJBFZKQHK-GHMZBOCLSA-N 2 2 281.360 -0.369 20 0 CBADLP Cc1cc(C[NH2+]CCNC(=O)CC[NH+]2CCOCC2)on1 ZINC001135336687 814462237 /nfs/dbraw/zinc/46/22/37/814462237.db2.gz HHJKTZRDUGUFBE-UHFFFAOYSA-N 2 2 296.371 -0.089 20 0 CBADLP Cc1ncoc1C[NH2+]CCNC(=O)CC[NH+]1CCOCC1 ZINC001135352209 814468832 /nfs/dbraw/zinc/46/88/32/814468832.db2.gz CXQBRCBPZCZFIV-UHFFFAOYSA-N 2 2 296.371 -0.089 20 0 CBADLP Cc1cnc(C[NH2+]CCNC(=O)CC[NH+]2CCOCC2)o1 ZINC001135350359 814469056 /nfs/dbraw/zinc/46/90/56/814469056.db2.gz SUTAURXMRWHQRQ-UHFFFAOYSA-N 2 2 296.371 -0.089 20 0 CBADLP CC[NH+](CC)CC(=O)NCC[NH2+]Cc1nonc1C ZINC001135508732 814478976 /nfs/dbraw/zinc/47/89/76/814478976.db2.gz XZRWJQIXTRJWBA-UHFFFAOYSA-N 2 2 269.349 -0.074 20 0 CBADLP CC[NH+](CC)CC(=O)NCC[NH2+]Cc1nnnn1C1CC1 ZINC001135511132 814481120 /nfs/dbraw/zinc/48/11/20/814481120.db2.gz JPIPMLKOVKMYKW-UHFFFAOYSA-N 2 2 295.391 -0.444 20 0 CBADLP CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001135580384 814495217 /nfs/dbraw/zinc/49/52/17/814495217.db2.gz NOMGPJPCABARRQ-QWRGUYRKSA-N 2 2 295.387 -0.039 20 0 CBADLP CC[C@@H]([NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(N)=O ZINC001160331974 815616923 /nfs/dbraw/zinc/61/69/23/815616923.db2.gz DHOUFHZCMOTUFZ-GMTAPVOTSA-N 2 2 293.371 -0.127 20 0 CBADLP CC[C@@H]([NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(N)=O ZINC001160331974 815616926 /nfs/dbraw/zinc/61/69/26/815616926.db2.gz DHOUFHZCMOTUFZ-GMTAPVOTSA-N 2 2 293.371 -0.127 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NCC[NH2+]CCOCC(F)F ZINC001135757414 814519085 /nfs/dbraw/zinc/51/90/85/814519085.db2.gz BTFHWYCMCHABHC-UHFFFAOYSA-N 2 2 276.287 -0.060 20 0 CBADLP CCC(C)(C)NC(=O)C[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001135754668 814519500 /nfs/dbraw/zinc/51/95/00/814519500.db2.gz GPYPHIIGFBCLHQ-UHFFFAOYSA-N 2 2 295.387 -0.037 20 0 CBADLP CC(=O)N1CCCC[C@]12CCN(C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])C2 ZINC001160424264 815619245 /nfs/dbraw/zinc/61/92/45/815619245.db2.gz QMNYLGDPKHBUHG-KCQAQPDRSA-N 2 2 294.399 -0.463 20 0 CBADLP CC(C)[C@@H](C(=O)NCCC[NH2+]Cc1nnn(C)n1)[NH+](C)C ZINC001160420914 815619611 /nfs/dbraw/zinc/61/96/11/815619611.db2.gz LNJMZWRZVUJCDA-LBPRGKRZSA-N 2 2 297.407 -0.608 20 0 CBADLP CNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001135945068 814538821 /nfs/dbraw/zinc/53/88/21/814538821.db2.gz UTFNHHSOGAURTK-QWRGUYRKSA-N 2 2 295.387 -0.419 20 0 CBADLP C[C@H](C[C@@H](C)[NH2+]CCO)NC(=O)Cc1c[nH+]cn1C ZINC001135949195 814539067 /nfs/dbraw/zinc/53/90/67/814539067.db2.gz JGCBOWHUFMPYPW-GHMZBOCLSA-N 2 2 268.361 -0.172 20 0 CBADLP C[C@H](C[C@H](C)NC(=O)Cc1c[nH+]cn1C)[NH2+]CC(N)=O ZINC001135944245 814539239 /nfs/dbraw/zinc/53/92/39/814539239.db2.gz HQDJUUCPTWTUJY-ZJUUUORDSA-N 2 2 281.360 -0.679 20 0 CBADLP C[C@H](C[C@H](C)[NH2+]CCO)NC(=O)Cc1c[nH+]cn1C ZINC001135949198 814539669 /nfs/dbraw/zinc/53/96/69/814539669.db2.gz JGCBOWHUFMPYPW-WDEREUQCSA-N 2 2 268.361 -0.172 20 0 CBADLP C[C@@H](C[C@H](C)[NH2+]CC(N)=O)NC(=O)CCc1c[nH+]cn1C ZINC001136051901 814550055 /nfs/dbraw/zinc/55/00/55/814550055.db2.gz HNCWOAOEVWZZOE-QWRGUYRKSA-N 2 2 295.387 -0.289 20 0 CBADLP OC[C@@H]1C[NH2+]C[C@H]1Nc1cc(N2CCOCC2)[nH+]cn1 ZINC001159671157 815583863 /nfs/dbraw/zinc/58/38/63/815583863.db2.gz IGBXWASXMQJVML-WDEREUQCSA-N 2 2 279.344 -0.695 20 0 CBADLP O=C(NCC[NH2+]CCO)c1cc(-n2cc[nH+]c2)ccn1 ZINC001146509332 814840259 /nfs/dbraw/zinc/84/02/59/814840259.db2.gz PGTXTKWIRYJIPA-UHFFFAOYSA-N 2 2 275.312 -0.421 20 0 CBADLP CC[N@H+](C)CCC(=O)NCC[NH2+]Cc1nonc1C ZINC001146719924 814845983 /nfs/dbraw/zinc/84/59/83/814845983.db2.gz WQDOULDQUTWJIU-UHFFFAOYSA-N 2 2 269.349 -0.074 20 0 CBADLP CC[N@@H+](C)CCC(=O)NCC[NH2+]Cc1nonc1C ZINC001146719924 814845988 /nfs/dbraw/zinc/84/59/88/814845988.db2.gz WQDOULDQUTWJIU-UHFFFAOYSA-N 2 2 269.349 -0.074 20 0 CBADLP C[C@H](C[C@H](C)NC(=O)Cn1cc[nH+]c1)[NH2+]CCO ZINC001146770161 814847089 /nfs/dbraw/zinc/84/70/89/814847089.db2.gz GHJSFOTXPFWLLG-MNOVXSKESA-N 2 2 254.334 -0.252 20 0 CBADLP C[C@@H](C[C@H](C)[NH2+]CCO)NC(=O)Cn1cc[nH+]c1 ZINC001146770163 814847266 /nfs/dbraw/zinc/84/72/66/814847266.db2.gz GHJSFOTXPFWLLG-QWRGUYRKSA-N 2 2 254.334 -0.252 20 0 CBADLP O=C(NCC[NH2+]CCO)c1ccc(-n2cc[nH+]c2)cn1 ZINC001147614611 814903651 /nfs/dbraw/zinc/90/36/51/814903651.db2.gz FSVTZKAWQXSKFB-UHFFFAOYSA-N 2 2 275.312 -0.421 20 0 CBADLP C[C@@H](O)C[NH2+]CCNC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001147614447 814904148 /nfs/dbraw/zinc/90/41/48/814904148.db2.gz CRTVDRAUILUZNF-LLVKDONJSA-N 2 2 289.339 -0.033 20 0 CBADLP Cc1noc(C[NH2+]CCNC(=O)COCC[NH+](C)C)n1 ZINC001147841265 814919854 /nfs/dbraw/zinc/91/98/54/814919854.db2.gz BSRKRWJALNDJPK-UHFFFAOYSA-N 2 2 285.348 -0.838 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NCC[NH2+]CCc1ccnn1C ZINC001147872041 814921114 /nfs/dbraw/zinc/92/11/14/814921114.db2.gz YFSRLSABPZHXEZ-UHFFFAOYSA-N 2 2 290.371 -0.355 20 0 CBADLP Cc1noc(C[NH2+]CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)n1 ZINC001147878457 814922993 /nfs/dbraw/zinc/92/29/93/814922993.db2.gz ZGIRECFKUUANPA-NSHDSACASA-N 2 2 281.360 -0.074 20 0 CBADLP Cc1noc(C[NH2+]CCNC(=O)C[C@@H]2CC[N@H+](C)C2)n1 ZINC001147878457 814922996 /nfs/dbraw/zinc/92/29/96/814922996.db2.gz ZGIRECFKUUANPA-NSHDSACASA-N 2 2 281.360 -0.074 20 0 CBADLP Cc1nccnc1C[NH2+]CCNC(=O)Cc1c[nH+]cn1C ZINC001147877466 814923052 /nfs/dbraw/zinc/92/30/52/814923052.db2.gz KWLXIAOBIVPZTR-UHFFFAOYSA-N 2 2 288.355 -0.033 20 0 CBADLP CC[C@@]([NH3+])(CO)Nc1ccc(N2CC[NH+](C)CC2)nn1 ZINC001159740036 815592346 /nfs/dbraw/zinc/59/23/46/815592346.db2.gz XWHVFEFAWCPFGS-ZDUSSCGKSA-N 2 2 280.376 -0.302 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1nc(C)[nH+]c(N(C)C)n1 ZINC001159755245 815593627 /nfs/dbraw/zinc/59/36/27/815593627.db2.gz NKJDBBSULHDUAO-NXEZZACHSA-N 2 2 294.359 -0.191 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N(CCO)Cc1cccs1 ZINC001160446333 815623973 /nfs/dbraw/zinc/62/39/73/815623973.db2.gz HIZFRKLKFKHGCC-QWRGUYRKSA-N 2 2 269.370 -0.384 20 0 CBADLP C[NH2+]CC1CCN(C(=O)C2([NH3+])CC[NH2+]CC2)CC1 ZINC001160459975 815625042 /nfs/dbraw/zinc/62/50/42/815625042.db2.gz UTWLHDKYBUSYAB-UHFFFAOYSA-N 3 2 254.378 -0.475 20 0 CBADLP C[NH2+]CC1CCN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)CC1 ZINC001160457045 815625475 /nfs/dbraw/zinc/62/54/75/815625475.db2.gz WSBWXUSPSYWFLI-BZPMIXESSA-N 3 2 266.389 -0.334 20 0 CBADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC2(C1)OCCO2 ZINC001160471433 815626802 /nfs/dbraw/zinc/62/68/02/815626802.db2.gz XYTCFDDKVQEDEG-SNVBAGLBSA-N 2 2 266.301 -0.745 20 0 CBADLP O=C(N1CCn2cccc2C1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160477015 815628386 /nfs/dbraw/zinc/62/83/86/815628386.db2.gz RDZLXTFTSMVDEO-FZMZJTMJSA-N 2 2 260.341 -0.218 20 0 CBADLP CCN(C(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2)C1CCOCC1 ZINC001160494235 815630008 /nfs/dbraw/zinc/63/00/08/815630008.db2.gz RLXHHFFYCRNIND-SMDDNHRTSA-N 2 2 267.373 -0.035 20 0 CBADLP CN(C)C(=O)CN(C)C(=O)[C@@H]1CCC[N@@H+]([C@@H]2CC[NH2+]C2)C1 ZINC001160505249 815631524 /nfs/dbraw/zinc/63/15/24/815631524.db2.gz UHZSSAGGXFFOQN-CHWSQXEVSA-N 2 2 296.415 -0.393 20 0 CBADLP CN(C)C(=O)CN(C)C(=O)[C@@H]1CCC[N@H+]([C@@H]2CC[NH2+]C2)C1 ZINC001160505249 815631529 /nfs/dbraw/zinc/63/15/29/815631529.db2.gz UHZSSAGGXFFOQN-CHWSQXEVSA-N 2 2 296.415 -0.393 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CC[C@H](c2cccnc2)C1 ZINC001160524393 815632810 /nfs/dbraw/zinc/63/28/10/815632810.db2.gz LNAMYHPJAIQCER-AVGNSLFASA-N 2 2 260.341 -0.056 20 0 CBADLP COC(=O)[C@@H]1C[C@H](C(=O)N2CCC([NH3+])CC2)CC[NH2+]1 ZINC001160513276 815633384 /nfs/dbraw/zinc/63/33/84/815633384.db2.gz ARSHTTHJQMLXBF-KOLCDFICSA-N 2 2 269.345 -0.523 20 0 CBADLP O=C(N1CCc2ncccc2C1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160548764 815635107 /nfs/dbraw/zinc/63/51/07/815635107.db2.gz KVVXICWRPXSYIV-WFASDCNBSA-N 2 2 272.352 -0.082 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCCC12COC2 ZINC001160541587 815636173 /nfs/dbraw/zinc/63/61/73/815636173.db2.gz CYJXAQPTNPXRIE-NSHDSACASA-N 2 2 264.329 -0.319 20 0 CBADLP Cn1cc2c(n1)CCN(C(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1)C2 ZINC001160556024 815637645 /nfs/dbraw/zinc/63/76/45/815637645.db2.gz JUYRVTBSQFPPOR-LLVKDONJSA-N 2 2 274.328 -0.402 20 0 CBADLP COC(=O)c1cccc2c1CN(C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])C2 ZINC001160565515 815638340 /nfs/dbraw/zinc/63/83/40/815638340.db2.gz RARZMNZMIQUEPW-AAEUAGOBSA-N 2 2 289.335 -0.138 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CCc2nc(Cl)ncc2C1 ZINC001160576588 815639729 /nfs/dbraw/zinc/63/97/29/815639729.db2.gz WKAPQHNJVYJREO-IUCAKERBSA-N 2 2 281.747 -0.439 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CCC(c2ncccn2)CC1 ZINC001160588735 815642822 /nfs/dbraw/zinc/64/28/22/815642822.db2.gz GJKDVNUTMAOURK-RYUDHWBXSA-N 2 2 275.356 -0.271 20 0 CBADLP COC(=O)[C@]1(C)CCCN(C(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)C1 ZINC001160635209 815646396 /nfs/dbraw/zinc/64/63/96/815646396.db2.gz HMMYCDCCXHDWMZ-KCPJHIHWSA-N 2 2 295.383 -0.260 20 0 CBADLP C[C@H]1CC(=O)CCN1C(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160642521 815650369 /nfs/dbraw/zinc/65/03/69/815650369.db2.gz KOGVHQUHJHRAHI-KWBADKCTSA-N 2 2 251.330 -0.482 20 0 CBADLP C[C@H]1CC(=O)CCN1C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001160642183 815650517 /nfs/dbraw/zinc/65/05/17/815650517.db2.gz GGMDGDOTBISCCC-WHIUSJLISA-N 2 2 251.330 -0.212 20 0 CBADLP C[NH+](C)C1(C)CN(C(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)C1 ZINC001160644511 815651010 /nfs/dbraw/zinc/65/10/10/815651010.db2.gz FETBGTNDRLYDFL-ZWNOBZJWSA-N 3 2 252.362 -0.900 20 0 CBADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN2C(=O)CC[C@@H]2C1 ZINC001160647262 815651876 /nfs/dbraw/zinc/65/18/76/815651876.db2.gz DHHWTGBZLWMHRG-GHMZBOCLSA-N 2 2 277.328 -0.887 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCC(=O)C(F)(F)C1 ZINC001160664170 815654416 /nfs/dbraw/zinc/65/44/16/815654416.db2.gz NYOOGPXOQMPHPF-VIFPVBQESA-N 2 2 286.282 -0.273 20 0 CBADLP CN(Cc1ccon1)C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001160689619 815657232 /nfs/dbraw/zinc/65/72/32/815657232.db2.gz ZSMHRKAKIQJWAC-INTQDDNPSA-N 2 2 250.302 -0.417 20 0 CBADLP N[C@@]1(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CC[NH2+]C1 ZINC001160694176 815659263 /nfs/dbraw/zinc/65/92/63/815659263.db2.gz RWZIUMQRJMZCNP-GWCFXTLKSA-N 2 2 263.345 -0.194 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CCO[C@@H](C(F)(F)F)C1 ZINC001160705793 815661581 /nfs/dbraw/zinc/66/15/81/815661581.db2.gz RXQGJWGWJNDPKW-BIIVOSGPSA-N 2 2 267.251 -0.677 20 0 CBADLP O=C(N1CCC(n2cnnc2)CC1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160718330 815663157 /nfs/dbraw/zinc/66/31/57/815663157.db2.gz FPLXUXNKVJVTMT-SMDDNHRTSA-N 2 2 290.371 -0.607 20 0 CBADLP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CC[NH+]2CCC1CC2 ZINC001160726812 815665639 /nfs/dbraw/zinc/66/56/39/815665639.db2.gz WLCJCDSAIODOPJ-AWEZNQCLSA-N 3 2 295.431 -0.957 20 0 CBADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)N1CC[NH+]2CCC1CC2 ZINC001160726812 815665642 /nfs/dbraw/zinc/66/56/42/815665642.db2.gz WLCJCDSAIODOPJ-AWEZNQCLSA-N 3 2 295.431 -0.957 20 0 CBADLP [NH3+]C1(C(=O)N2C[C@@H]3C[C@H]2[C@H](C(F)(F)F)O3)CC[NH2+]CC1 ZINC001160765853 815668307 /nfs/dbraw/zinc/66/83/07/815668307.db2.gz HHIUAEVSQKMGLT-XHNCKOQMSA-N 2 2 293.289 -0.002 20 0 CBADLP O=C(N1CCc2nccn2CC1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160760224 815668908 /nfs/dbraw/zinc/66/89/08/815668908.db2.gz HWKXBFALRSPGCG-BXUZGUMPSA-N 2 2 275.356 -0.781 20 0 CBADLP [NH3+]C[C@H](O)CC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001160845384 815677108 /nfs/dbraw/zinc/67/71/08/815677108.db2.gz DOBLHXREAIQMQO-SNVBAGLBSA-N 2 2 252.318 -0.175 20 0 CBADLP [NH3+]C[C@H](O)CC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC001160845384 815677113 /nfs/dbraw/zinc/67/71/13/815677113.db2.gz DOBLHXREAIQMQO-SNVBAGLBSA-N 2 2 252.318 -0.175 20 0 CBADLP COc1cc[nH+]cc1CC(=O)NCCC[NH2+]CCO ZINC001160844536 815677866 /nfs/dbraw/zinc/67/78/66/815677866.db2.gz JNYQYYPVDJXMBQ-UHFFFAOYSA-N 2 2 267.329 -0.279 20 0 CBADLP CC[C@H](C(=O)NCCC[NH2+]Cc1nnn(C)n1)[NH+](C)C ZINC001160883636 815685538 /nfs/dbraw/zinc/68/55/38/815685538.db2.gz QXUGTNCSUJDEFY-SNVBAGLBSA-N 2 2 283.380 -0.854 20 0 CBADLP C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)C2 ZINC001160965851 815691102 /nfs/dbraw/zinc/69/11/02/815691102.db2.gz ZCEYFSVDSIJTLY-SCDSUCTJSA-N 3 2 277.372 -0.310 20 0 CBADLP COC(=O)[C@@H]([NH3+])CC(=O)N1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001160964098 815691905 /nfs/dbraw/zinc/69/19/05/815691905.db2.gz OHYLFCGACBUKTO-GBIKHYSHSA-N 2 2 269.345 -0.713 20 0 CBADLP NC(=S)C1CCN(C(=O)[C@@H]2C[C@H]([NH3+])C[NH2+]2)CC1 ZINC001161032537 815701592 /nfs/dbraw/zinc/70/15/92/815701592.db2.gz WFFWATDNEUFMCZ-IUCAKERBSA-N 2 2 256.375 -0.800 20 0 CBADLP CC(=O)[C@@H]1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)C1 ZINC001161034511 815701644 /nfs/dbraw/zinc/70/16/44/815701644.db2.gz KZAGWALJRCLOOU-MDZLAQPJSA-N 2 2 251.330 -0.625 20 0 CBADLP CN(C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2)[C@H]1CCCC[C@@H]1[NH3+] ZINC001161060770 815705136 /nfs/dbraw/zinc/70/51/36/815705136.db2.gz CWZFKWWWWWWIPJ-HXNLIRTISA-N 3 2 266.389 -0.064 20 0 CBADLP CN(C(=O)C1([NH3+])CC[NH2+]CC1)[C@H]1CCCC[C@H]1[NH3+] ZINC001161064957 815706718 /nfs/dbraw/zinc/70/67/18/815706718.db2.gz UGRAJCKQLWISQT-MNOVXSKESA-N 3 2 254.378 -0.204 20 0 CBADLP COC(=O)[C@@H]([NH3+])CC(=O)N(C)[C@H]1CCCC[C@@H]1[NH3+] ZINC001161062976 815706765 /nfs/dbraw/zinc/70/67/65/815706765.db2.gz LIHYNIJNVMSDMZ-GUBZILKMSA-N 2 2 257.334 -0.395 20 0 CBADLP Nc1ccc2c(c1)CN(C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)CC2 ZINC001161076692 815710057 /nfs/dbraw/zinc/71/00/57/815710057.db2.gz NFSMXCBWDCKPLL-OLZOCXBDSA-N 2 2 260.341 -0.157 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001161084008 815711412 /nfs/dbraw/zinc/71/14/12/815711412.db2.gz VYGYDYSEVUABPP-FPMFFAJLSA-N 3 2 291.399 -0.158 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001161084008 815711418 /nfs/dbraw/zinc/71/14/18/815711418.db2.gz VYGYDYSEVUABPP-FPMFFAJLSA-N 3 2 291.399 -0.158 20 0 CBADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)N2C[C@@H]3C[C@H]2C(=O)O3)cc1 ZINC001161084857 815711759 /nfs/dbraw/zinc/71/17/59/815711759.db2.gz JLVZXXDCBPYKSU-TUAOUCFPSA-N 2 2 275.308 -0.215 20 0 CBADLP COC(=O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)[C@@H]1C ZINC001161117969 815717078 /nfs/dbraw/zinc/71/70/78/815717078.db2.gz YNVFHOFTFQQRKO-RXGFPQBGSA-N 2 2 295.383 -0.264 20 0 CBADLP COC(=O)[C@@H]1CCCN(C(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)[C@@H]1C ZINC001161117983 815717758 /nfs/dbraw/zinc/71/77/58/815717758.db2.gz YPECGWUADYCBHH-NWJSVONSSA-N 2 2 295.383 -0.262 20 0 CBADLP COC(=O)[C@@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)[C@@H]1C ZINC001161117986 815717824 /nfs/dbraw/zinc/71/78/24/815717824.db2.gz YPECGWUADYCBHH-ZAZJYDDPSA-N 2 2 295.383 -0.262 20 0 CBADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)CC2CC[NH2+]CC2)C1 ZINC001161137786 815718478 /nfs/dbraw/zinc/71/84/78/815718478.db2.gz HBIBGUVRLXWICH-CYBMUJFWSA-N 2 2 269.345 -0.521 20 0 CBADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@@H]([NH3+])c2ccsc2)C1 ZINC001161137003 815718651 /nfs/dbraw/zinc/71/86/51/815718651.db2.gz AWLBFWZIHGOXNQ-CABZTGNLSA-N 2 2 283.353 -0.149 20 0 CBADLP COC(=O)[C@]1([NH3+])CCN(C(=O)C2CCC(C[NH3+])CC2)C1 ZINC001161137438 815718987 /nfs/dbraw/zinc/71/89/87/815718987.db2.gz DLBQLDQKKVULRA-MGULZYLOSA-N 2 2 283.372 -0.146 20 0 CBADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC001161138318 815719903 /nfs/dbraw/zinc/71/99/03/815719903.db2.gz RTAMPNYBOHTIQB-BREBYQMCSA-N 2 2 269.345 -0.523 20 0 CBADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)C[C@H]2CCC[NH2+]C2)C1 ZINC001161138155 815720183 /nfs/dbraw/zinc/72/01/83/815720183.db2.gz ODXLEMHBBVMNFK-ZWNOBZJWSA-N 2 2 269.345 -0.521 20 0 CBADLP CO[C@@H](C)C1CN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)C1 ZINC001161146607 815721700 /nfs/dbraw/zinc/72/17/00/815721700.db2.gz QLEFTGCEXBXNKZ-FSZOTQKASA-N 2 2 253.346 -0.570 20 0 CBADLP CO[C@H](C)C1CN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)C1 ZINC001161145639 815721888 /nfs/dbraw/zinc/72/18/88/815721888.db2.gz HFWNPCFHXMPPEB-VUXODMRMSA-N 2 2 253.346 -0.299 20 0 CBADLP CO[C@@H](C)C1CN(C(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)C1 ZINC001161147570 815722205 /nfs/dbraw/zinc/72/22/05/815722205.db2.gz XIMQLDZGCYFBGR-CABZTGNLSA-N 2 2 266.345 -0.217 20 0 CBADLP CCC[N@H+]1C[C@H]2CN(C(=O)C3([NH3+])CC[NH2+]CC3)C[C@H]2C1 ZINC001161175972 815724328 /nfs/dbraw/zinc/72/43/28/815724328.db2.gz QLZJOYLSSHOGJH-BETUJISGSA-N 3 2 280.416 -0.133 20 0 CBADLP CCC[N@@H+]1C[C@H]2CN(C(=O)C3([NH3+])CC[NH2+]CC3)C[C@H]2C1 ZINC001161175972 815724331 /nfs/dbraw/zinc/72/43/31/815724331.db2.gz QLZJOYLSSHOGJH-BETUJISGSA-N 3 2 280.416 -0.133 20 0 CBADLP NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001161209490 815727611 /nfs/dbraw/zinc/72/76/11/815727611.db2.gz NIORHFLZWXYLHR-SNVBAGLBSA-N 2 2 279.344 -0.973 20 0 CBADLP CN(C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2)[C@@H]1CCC2(C1)OCCO2 ZINC001161219012 815728724 /nfs/dbraw/zinc/72/87/24/815728724.db2.gz MHJCMHBLJGVVTA-BYNQJWBRSA-N 2 2 295.383 -0.038 20 0 CBADLP CN(C(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161221374 815728900 /nfs/dbraw/zinc/72/89/00/815728900.db2.gz MLCSZBCSJWFRHH-RQJABVFESA-N 3 2 274.368 -0.065 20 0 CBADLP COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)[C@]1(C)CC[NH2+]C1 ZINC001161236285 815732640 /nfs/dbraw/zinc/73/26/40/815732640.db2.gz CJYACRCJOZYHAI-ZWNOBZJWSA-N 2 2 269.345 -0.698 20 0 CBADLP COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)[C@]1(C)CC[NH2+]C1 ZINC001161236285 815732645 /nfs/dbraw/zinc/73/26/45/815732645.db2.gz CJYACRCJOZYHAI-ZWNOBZJWSA-N 2 2 269.345 -0.698 20 0 CBADLP COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)C[C@H]1CCC[NH2+]C1 ZINC001161237235 815732765 /nfs/dbraw/zinc/73/27/65/815732765.db2.gz JPQBBLOGUUYIEF-NEPJUHHUSA-N 2 2 283.372 -0.308 20 0 CBADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)C[C@H]1CCC[NH2+]C1 ZINC001161237235 815732769 /nfs/dbraw/zinc/73/27/69/815732769.db2.gz JPQBBLOGUUYIEF-NEPJUHHUSA-N 2 2 283.372 -0.308 20 0 CBADLP CC[N@H+](C)C(C)(C)C(=O)NCCC[NH2+]Cc1nnn(C)n1 ZINC001161250997 815734490 /nfs/dbraw/zinc/73/44/90/815734490.db2.gz HLUWODQSPKLPNY-UHFFFAOYSA-N 2 2 297.407 -0.464 20 0 CBADLP CC[N@@H+](C)C(C)(C)C(=O)NCCC[NH2+]Cc1nnn(C)n1 ZINC001161250997 815734494 /nfs/dbraw/zinc/73/44/94/815734494.db2.gz HLUWODQSPKLPNY-UHFFFAOYSA-N 2 2 297.407 -0.464 20 0 CBADLP CNC(=O)NC1CCN(C(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)CC1 ZINC001161268101 815735297 /nfs/dbraw/zinc/73/52/97/815735297.db2.gz CWABWEOGBNMFBY-NSHDSACASA-N 2 2 294.359 -0.801 20 0 CBADLP CC(=O)N[C@@H]1CCCN(C(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)C1 ZINC001161269880 815735495 /nfs/dbraw/zinc/73/54/95/815735495.db2.gz FGSJIFCUZLRRAB-OUCADQQQSA-N 2 2 280.372 -0.935 20 0 CBADLP CC(=O)N[C@@H]1CCCN(C(=O)C2([NH3+])CC[NH2+]CC2)C1 ZINC001161270055 815735861 /nfs/dbraw/zinc/73/58/61/815735861.db2.gz IEJJRGCFPBTWQE-LLVKDONJSA-N 2 2 268.361 -0.806 20 0 CBADLP C[C@H]([NH2+]CCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1)C(N)=O ZINC001161301684 815738025 /nfs/dbraw/zinc/73/80/25/815738025.db2.gz WHVIXEUOHRULKR-WDEREUQCSA-N 2 2 293.371 -0.585 20 0 CBADLP O=C(NCCC[NH2+]CCCO)[C@H]1CCc2c[nH+]cn2C1 ZINC001161323801 815739594 /nfs/dbraw/zinc/73/95/94/815739594.db2.gz RANONPBEROYGMR-LBPRGKRZSA-N 2 2 280.372 -0.076 20 0 CBADLP O=C(NCCC[NH2+]CCCO)[C@@H]1CCc2c[nH+]cn2C1 ZINC001161323800 815739721 /nfs/dbraw/zinc/73/97/21/815739721.db2.gz RANONPBEROYGMR-GFCCVEGCSA-N 2 2 280.372 -0.076 20 0 CBADLP C[C@@H](O)C[NH2+]CCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001161309686 815740057 /nfs/dbraw/zinc/74/00/57/815740057.db2.gz OTBGPOQRTBDVBB-NEPJUHHUSA-N 2 2 280.372 -0.078 20 0 CBADLP C[C@H](O)C[NH2+]CCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001161314848 815740212 /nfs/dbraw/zinc/74/02/12/815740212.db2.gz LHUIHGAIXQWHJQ-NWDGAFQWSA-N 2 2 280.372 -0.078 20 0 CBADLP CCN(C(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2)[C@H]1CCC[NH2+]C1 ZINC001161331677 815741247 /nfs/dbraw/zinc/74/12/47/815741247.db2.gz FVQRBKQIXWUQJN-OBJOEFQTSA-N 3 2 266.389 -0.462 20 0 CBADLP CCN(C(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2)[C@@H]1CCC[NH2+]C1 ZINC001161331681 815741551 /nfs/dbraw/zinc/74/15/51/815741551.db2.gz FVQRBKQIXWUQJN-SCRDCRAPSA-N 3 2 266.389 -0.462 20 0 CBADLP [NH3+]CC[C@H]([NH3+])C(=O)N(c1ccncc1F)C1CC[NH2+]CC1 ZINC001161388244 815750625 /nfs/dbraw/zinc/75/06/25/815750625.db2.gz WOLKVLVWVHERLY-LBPRGKRZSA-N 3 2 295.362 -0.018 20 0 CBADLP COC(=O)[C@@H]([NH3+])CC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC001161412493 815751360 /nfs/dbraw/zinc/75/13/60/815751360.db2.gz KQYGYEPCMDVDDP-XKNYDFJKSA-N 2 2 255.318 -0.928 20 0 CBADLP COC(=O)[C@H]1CN(C(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)C[C@@H]1C ZINC001161459455 815757571 /nfs/dbraw/zinc/75/75/71/815757571.db2.gz LCLVQNWZRFEYTM-BBGACYKPSA-N 2 2 281.356 -0.795 20 0 CBADLP N[C@@H](C[NH3+])C(=O)N1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001161470599 815758680 /nfs/dbraw/zinc/75/86/80/815758680.db2.gz IDDWHPRUOZTHPL-UWVGGRQHSA-N 2 2 276.331 -0.396 20 0 CBADLP C[C@]1(C[NH3+])CCCN(C(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)C1 ZINC001161490335 815761078 /nfs/dbraw/zinc/76/10/78/815761078.db2.gz YUBQFDLBWQTMDC-IACUBPJLSA-N 3 2 266.389 -0.475 20 0 CBADLP C[C@@]1(C[NH3+])CCCN(C(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)C1 ZINC001161489967 815761529 /nfs/dbraw/zinc/76/15/29/815761529.db2.gz SMZYQDBMRHYWFT-AAEUAGOBSA-N 3 2 265.361 -0.133 20 0 CBADLP C[N@H+](C1CN(C(=O)C[NH2+]C2CC[NH2+]CC2)C1)[C@H]1CCOC1 ZINC001161498060 815763429 /nfs/dbraw/zinc/76/34/29/815763429.db2.gz HBWFSPDCNFASKS-ZDUSSCGKSA-N 3 2 296.415 -0.741 20 0 CBADLP C[N@@H+](C1CN(C(=O)C[NH2+]C2CC[NH2+]CC2)C1)[C@H]1CCOC1 ZINC001161498060 815763435 /nfs/dbraw/zinc/76/34/35/815763435.db2.gz HBWFSPDCNFASKS-ZDUSSCGKSA-N 3 2 296.415 -0.741 20 0 CBADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)N2C[C@H]([NH3+])C3(COC3)C2)cc1 ZINC001161507278 815764711 /nfs/dbraw/zinc/76/47/11/815764711.db2.gz RTSILXDTIOTKRU-OLZOCXBDSA-N 3 2 290.367 -0.555 20 0 CBADLP CC(=O)[C@@H]1CCCN1C(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001161526852 815767723 /nfs/dbraw/zinc/76/77/23/815767723.db2.gz UAPYNJLYHDDJDW-MDZLAQPJSA-N 2 2 251.330 -0.482 20 0 CBADLP [NH3+]C1CC[NH+](CCNc2ncc3c(n2)C[NH2+]C3)CC1 ZINC001161867849 815791618 /nfs/dbraw/zinc/79/16/18/815791618.db2.gz RKYXYHNTIXXRSE-UHFFFAOYSA-N 3 2 262.361 -0.085 20 0 CBADLP CC[N@@H+]1CC[C@@H]1C(=O)N1C[C@@H](C)[NH+](CCO)C[C@@H]1C ZINC001162250451 815810927 /nfs/dbraw/zinc/81/09/27/815810927.db2.gz ZMYGFMBXXQUSDQ-FRRDWIJNSA-N 2 2 269.389 -0.006 20 0 CBADLP CC[N@H+]1CC[C@@H]1C(=O)N1C[C@@H](C)[NH+](CCO)C[C@@H]1C ZINC001162250451 815810932 /nfs/dbraw/zinc/81/09/32/815810932.db2.gz ZMYGFMBXXQUSDQ-FRRDWIJNSA-N 2 2 269.389 -0.006 20 0 CBADLP CC[NH+]1CC[C@@H]1C(=O)N1C[C@@H](C)[N@H+](CCO)C[C@@H]1C ZINC001162250451 815810939 /nfs/dbraw/zinc/81/09/39/815810939.db2.gz ZMYGFMBXXQUSDQ-FRRDWIJNSA-N 2 2 269.389 -0.006 20 0 CBADLP CC[NH+]1CC[C@@H]1C(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C ZINC001162250451 815810942 /nfs/dbraw/zinc/81/09/42/815810942.db2.gz ZMYGFMBXXQUSDQ-FRRDWIJNSA-N 2 2 269.389 -0.006 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NCCC[NH2+]Cc1cnon1 ZINC001162605711 815837007 /nfs/dbraw/zinc/83/70/07/815837007.db2.gz GNCCUFRASHORGH-UHFFFAOYSA-N 2 2 278.316 -0.129 20 0 CBADLP C[N@@H+]1CCO[C@@H](CNc2ncnc3c2C[NH2+]CC3)C1 ZINC001162681000 815838624 /nfs/dbraw/zinc/83/86/24/815838624.db2.gz UIHXCXTXNIWCOK-JTQLQIEISA-N 2 2 263.345 -0.135 20 0 CBADLP C[N@H+]1CCO[C@@H](CNc2ncnc3c2C[NH2+]CC3)C1 ZINC001162681000 815838631 /nfs/dbraw/zinc/83/86/31/815838631.db2.gz UIHXCXTXNIWCOK-JTQLQIEISA-N 2 2 263.345 -0.135 20 0 CBADLP C[NH2+]Cc1cc(NC[C@H]2C[N@H+](C)CCO2)ncn1 ZINC001162683092 815839634 /nfs/dbraw/zinc/83/96/34/815839634.db2.gz PBMMWINDLOASGJ-NSHDSACASA-N 2 2 251.334 -0.062 20 0 CBADLP C[NH2+]Cc1cc(NC[C@H]2C[N@@H+](C)CCO2)ncn1 ZINC001162683092 815839642 /nfs/dbraw/zinc/83/96/42/815839642.db2.gz PBMMWINDLOASGJ-NSHDSACASA-N 2 2 251.334 -0.062 20 0 CBADLP COc1c(NC[C@H]2C[N@H+](C)CCO2)ncnc1C1C[NH2+]C1 ZINC001162683866 815839675 /nfs/dbraw/zinc/83/96/75/815839675.db2.gz NUHUXOYPUQTECL-NSHDSACASA-N 2 2 293.371 -0.086 20 0 CBADLP COc1c(NC[C@H]2C[N@@H+](C)CCO2)ncnc1C1C[NH2+]C1 ZINC001162683866 815839681 /nfs/dbraw/zinc/83/96/81/815839681.db2.gz NUHUXOYPUQTECL-NSHDSACASA-N 2 2 293.371 -0.086 20 0 CBADLP C[N@@H+]1CCO[C@@H](CNc2cnc(O[C@@H]3CC[NH2+]C3)nc2)C1 ZINC001162689112 815841039 /nfs/dbraw/zinc/84/10/39/815841039.db2.gz ZLZVIQYEMDRIQX-OLZOCXBDSA-N 2 2 293.371 -0.040 20 0 CBADLP C[N@H+]1CCO[C@@H](CNc2cnc(O[C@@H]3CC[NH2+]C3)nc2)C1 ZINC001162689112 815841048 /nfs/dbraw/zinc/84/10/48/815841048.db2.gz ZLZVIQYEMDRIQX-OLZOCXBDSA-N 2 2 293.371 -0.040 20 0 CBADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(NC[C@@H](O)CO)c2)C1 ZINC001163356307 815883493 /nfs/dbraw/zinc/88/34/93/815883493.db2.gz NOYZLLAVFPQXIP-TZMCWYRMSA-N 2 2 265.357 -0.015 20 0 CBADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(NC[C@@H](O)CO)c2)C1 ZINC001163356307 815883498 /nfs/dbraw/zinc/88/34/98/815883498.db2.gz NOYZLLAVFPQXIP-TZMCWYRMSA-N 2 2 265.357 -0.015 20 0 CBADLP Cn1nnnc1C[NH2+]CCCNC(=O)CCn1cc[nH+]c1 ZINC001163588997 815890645 /nfs/dbraw/zinc/89/06/45/815890645.db2.gz SGZONWGTTYHWOO-UHFFFAOYSA-N 2 2 292.347 -0.907 20 0 CBADLP C[C@@H](O)C[NH2+]CCCNC(=O)CCn1cc[nH+]c1 ZINC001163594443 815891085 /nfs/dbraw/zinc/89/10/85/815891085.db2.gz YXTGVZBUJRFLJJ-LLVKDONJSA-N 2 2 254.334 -0.250 20 0 CBADLP C[NH+](C)C1(C(=O)NCCNC(=O)Cn2cc[nH+]c2)CCC1 ZINC001292865101 816487949 /nfs/dbraw/zinc/48/79/49/816487949.db2.gz OIMXKOCXUGMIDR-UHFFFAOYSA-N 2 2 293.371 -0.400 20 0 CBADLP CN(CCCNC(=O)Cc1[nH]cc[nH+]1)C(=O)CC[NH+](C)C ZINC001294267240 816536435 /nfs/dbraw/zinc/53/64/35/816536435.db2.gz AVVMHNPXMRPPDH-UHFFFAOYSA-N 2 2 295.387 -0.131 20 0 CBADLP CC[N@@H+]1CC[C@@H]1C(=O)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC001300301238 816739822 /nfs/dbraw/zinc/73/98/22/816739822.db2.gz YCPIPFRBOGIVJH-VXGBXAGGSA-N 2 2 253.346 -0.642 20 0 CBADLP CC[N@H+]1CC[C@@H]1C(=O)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC001300301238 816739827 /nfs/dbraw/zinc/73/98/27/816739827.db2.gz YCPIPFRBOGIVJH-VXGBXAGGSA-N 2 2 253.346 -0.642 20 0 CBADLP CC[NH+]1CC[C@@H]1C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC001300301238 816739833 /nfs/dbraw/zinc/73/98/33/816739833.db2.gz YCPIPFRBOGIVJH-VXGBXAGGSA-N 2 2 253.346 -0.642 20 0 CBADLP CC[NH+]1CC[C@@H]1C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC001300301238 816739837 /nfs/dbraw/zinc/73/98/37/816739837.db2.gz YCPIPFRBOGIVJH-VXGBXAGGSA-N 2 2 253.346 -0.642 20 0 CBADLP CC[N@@H+]1CC[C@H]1C(=O)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC001300301235 816740031 /nfs/dbraw/zinc/74/00/31/816740031.db2.gz YCPIPFRBOGIVJH-NEPJUHHUSA-N 2 2 253.346 -0.642 20 0 CBADLP CC[N@H+]1CC[C@H]1C(=O)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC001300301235 816740037 /nfs/dbraw/zinc/74/00/37/816740037.db2.gz YCPIPFRBOGIVJH-NEPJUHHUSA-N 2 2 253.346 -0.642 20 0 CBADLP CC[NH+]1CC[C@H]1C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC001300301235 816740044 /nfs/dbraw/zinc/74/00/44/816740044.db2.gz YCPIPFRBOGIVJH-NEPJUHHUSA-N 2 2 253.346 -0.642 20 0 CBADLP CC[NH+]1CC[C@H]1C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC001300301235 816740050 /nfs/dbraw/zinc/74/00/50/816740050.db2.gz YCPIPFRBOGIVJH-NEPJUHHUSA-N 2 2 253.346 -0.642 20 0 CBADLP C[C@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001316636661 816873463 /nfs/dbraw/zinc/87/34/63/816873463.db2.gz QGLDEAKMKHGQHT-DCAQKATOSA-N 2 2 266.345 -0.183 20 0 CBADLP CC[C@H](C(=O)N[C@H]1CC[N@H+](CC(N)=O)C1)[NH+](C)C ZINC001316982724 816914333 /nfs/dbraw/zinc/91/43/33/816914333.db2.gz PBNOVDTWJKVZCQ-VHSXEESVSA-N 2 2 256.350 -0.998 20 0 CBADLP CC[C@H](C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1)[NH+](C)C ZINC001316982724 816914338 /nfs/dbraw/zinc/91/43/38/816914338.db2.gz PBNOVDTWJKVZCQ-VHSXEESVSA-N 2 2 256.350 -0.998 20 0 CBADLP CCNC(=O)C[NH2+][C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001317283544 816957501 /nfs/dbraw/zinc/95/75/01/816957501.db2.gz YLIFANDWBRRWBY-VIFPVBQESA-N 2 2 267.333 -0.817 20 0 CBADLP COCC[N@@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001317535525 817004809 /nfs/dbraw/zinc/00/48/09/817004809.db2.gz JBLOKFWPUTVEHJ-GFCCVEGCSA-N 2 2 266.345 -0.032 20 0 CBADLP COCC[N@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001317535525 817004818 /nfs/dbraw/zinc/00/48/18/817004818.db2.gz JBLOKFWPUTVEHJ-GFCCVEGCSA-N 2 2 266.345 -0.032 20 0 CBADLP CC[C@H](C)NC(=O)C[NH2+]CCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001317641192 817036724 /nfs/dbraw/zinc/03/67/24/817036724.db2.gz FAUMSZCVSBDLPK-NSHDSACASA-N 2 2 295.387 -0.085 20 0 CBADLP CN(CC[NH2+]CCn1cccn1)C(=O)Cc1c[nH+]cn1C ZINC001317654336 817040151 /nfs/dbraw/zinc/04/01/51/817040151.db2.gz JQJYKISYMILTQF-UHFFFAOYSA-N 2 2 290.371 -0.093 20 0 CBADLP CN(CC[NH2+]Cc1cnnn1C)C(=O)Cn1cc[nH+]c1 ZINC001317667675 817041826 /nfs/dbraw/zinc/04/18/26/817041826.db2.gz RSLXCKHPXSKESL-UHFFFAOYSA-N 2 2 277.332 -0.740 20 0 CBADLP CCNC(=O)C[NH2+]CCN(C)C(=O)Cn1cc[nH+]c1 ZINC001317666336 817042201 /nfs/dbraw/zinc/04/22/01/817042201.db2.gz GAKWCIVEQUPWBT-UHFFFAOYSA-N 2 2 267.333 -0.933 20 0 CBADLP C[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001317943317 817057118 /nfs/dbraw/zinc/05/71/18/817057118.db2.gz FDRCEPAKVWFPLZ-SNVBAGLBSA-N 2 2 256.350 -0.996 20 0 CBADLP C[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001317943317 817057127 /nfs/dbraw/zinc/05/71/27/817057127.db2.gz FDRCEPAKVWFPLZ-SNVBAGLBSA-N 2 2 256.350 -0.996 20 0 CBADLP COCCC[NH+]1CC(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001318010116 817063571 /nfs/dbraw/zinc/06/35/71/817063571.db2.gz NJIRTGISSAMIGW-LBPRGKRZSA-N 2 2 255.362 -0.083 20 0 CBADLP COCCC[NH+]1CC(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001318010116 817063579 /nfs/dbraw/zinc/06/35/79/817063579.db2.gz NJIRTGISSAMIGW-LBPRGKRZSA-N 2 2 255.362 -0.083 20 0 CBADLP CCOCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001318393527 817106000 /nfs/dbraw/zinc/10/60/00/817106000.db2.gz LABOBKFGSYXAKQ-KBPBESRZSA-N 2 2 299.415 -0.114 20 0 CBADLP CCOCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001318393527 817106003 /nfs/dbraw/zinc/10/60/03/817106003.db2.gz LABOBKFGSYXAKQ-KBPBESRZSA-N 2 2 299.415 -0.114 20 0 CBADLP CCOCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001318393527 817106005 /nfs/dbraw/zinc/10/60/05/817106005.db2.gz LABOBKFGSYXAKQ-KBPBESRZSA-N 2 2 299.415 -0.114 20 0 CBADLP CCOCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001318393527 817106008 /nfs/dbraw/zinc/10/60/08/817106008.db2.gz LABOBKFGSYXAKQ-KBPBESRZSA-N 2 2 299.415 -0.114 20 0 CBADLP C[C@H](O)C[NH2+]C[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001319114260 817167256 /nfs/dbraw/zinc/16/72/56/817167256.db2.gz XGCHQRGEQNRWMR-CMPLNLGQSA-N 2 2 266.345 -0.086 20 0 CBADLP CCC[NH2+]C[C@@H](O)CNC(=O)Cc1c[nH+]cn1C ZINC001320295539 817316978 /nfs/dbraw/zinc/31/69/78/817316978.db2.gz LBRUATDHJJWNGK-LLVKDONJSA-N 2 2 254.334 -0.561 20 0 CBADLP Cn1[nH]c(C[N@H+](C)CCCn2cc[nH+]c2)nc1=O ZINC001320383486 817330787 /nfs/dbraw/zinc/33/07/87/817330787.db2.gz WUVVGPFDGJVVBV-UHFFFAOYSA-N 2 2 250.306 -0.173 20 0 CBADLP Cn1[nH]c(C[N@@H+](C)CCCn2cc[nH+]c2)nc1=O ZINC001320383486 817330795 /nfs/dbraw/zinc/33/07/95/817330795.db2.gz WUVVGPFDGJVVBV-UHFFFAOYSA-N 2 2 250.306 -0.173 20 0 CBADLP C[C@H](CC[NH2+]CC(N)=O)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001320469865 817340867 /nfs/dbraw/zinc/34/08/67/817340867.db2.gz PRFDAZIWPILVNN-MNOVXSKESA-N 2 2 293.371 -0.585 20 0 CBADLP C[C@@H](CC[NH2+]CC(N)=O)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001320469873 817341770 /nfs/dbraw/zinc/34/17/70/817341770.db2.gz PRFDAZIWPILVNN-QWRGUYRKSA-N 2 2 293.371 -0.585 20 0 CBADLP C[C@H](CC[NH2+]CC(N)=O)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001320575006 817357346 /nfs/dbraw/zinc/35/73/46/817357346.db2.gz YXJUOGKUUDVCRB-NXEZZACHSA-N 2 2 281.360 -0.442 20 0 CBADLP C[C@H](CC[NH2+]CC(N)=O)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001320575006 817357353 /nfs/dbraw/zinc/35/73/53/817357353.db2.gz YXJUOGKUUDVCRB-NXEZZACHSA-N 2 2 281.360 -0.442 20 0 CBADLP C[C@H](CC[NH2+]CCn1cncn1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001320588546 817359970 /nfs/dbraw/zinc/35/99/70/817359970.db2.gz YULXGHADZOBDIW-LLVKDONJSA-N 2 2 291.359 -0.272 20 0 CBADLP C[C@@H](CC[NH2+]Cc1nncn1C)NC(=O)Cn1cc[nH+]c1 ZINC001320652652 817367588 /nfs/dbraw/zinc/36/75/88/817367588.db2.gz NSYACIXFLVPRRA-NSHDSACASA-N 2 2 291.359 -0.304 20 0 CBADLP CC[C@H](C(=O)NC/C=C\C[NH2+]Cc1ncnn1C)[NH+](C)C ZINC001321335946 817484195 /nfs/dbraw/zinc/48/41/95/817484195.db2.gz IOGGVANGSYGYEM-ZHRWSRJISA-N 2 2 294.403 -0.083 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]C/C=C\CNC(=O)Cc1[nH]c[nH+]c1C ZINC001321363964 817490052 /nfs/dbraw/zinc/49/00/52/817490052.db2.gz TVFZNRZZLZFAEZ-WYGGZMRJSA-N 2 2 293.371 -0.343 20 0 CBADLP CCOC(=O)N1CCC([N@H+](CC[NH3+])CCO)CC1 ZINC001256231244 826005231 /nfs/dbraw/zinc/00/52/31/826005231.db2.gz PKEKQPQMISHYNI-UHFFFAOYSA-N 2 2 259.350 -0.140 20 0 CBADLP CCOC(=O)N1CCC([N@@H+](CC[NH3+])CCO)CC1 ZINC001256231244 826005241 /nfs/dbraw/zinc/00/52/41/826005241.db2.gz PKEKQPQMISHYNI-UHFFFAOYSA-N 2 2 259.350 -0.140 20 0 CBADLP Cn1nnc(C[NH2+]CCCNC(=O)C2CC[NH+](C)CC2)n1 ZINC001165772266 819982256 /nfs/dbraw/zinc/98/22/56/819982256.db2.gz KNSNKAXXBBQRRR-UHFFFAOYSA-N 2 2 295.391 -0.852 20 0 CBADLP CCC[NH2+]CCCNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(C)=O ZINC001165732309 819982323 /nfs/dbraw/zinc/98/23/23/819982323.db2.gz XXZRNGSIHNSMJP-ZDUSSCGKSA-N 2 2 295.387 -0.037 20 0 CBADLP CCC[NH2+]CCCNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(C)=O ZINC001165732309 819982328 /nfs/dbraw/zinc/98/23/28/819982328.db2.gz XXZRNGSIHNSMJP-ZDUSSCGKSA-N 2 2 295.387 -0.037 20 0 CBADLP O=C(NCCC[NH2+]CCO)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001166401587 819998413 /nfs/dbraw/zinc/99/84/13/819998413.db2.gz HTQWRKGFFMKFHA-SNVBAGLBSA-N 2 2 266.345 -0.082 20 0 CBADLP NC(=O)C[NH2+]CC1(CCNC(=O)CCn2cc[nH+]c2)CC1 ZINC001166474831 819999423 /nfs/dbraw/zinc/99/94/23/819999423.db2.gz YLCCCPPGZCVAAP-UHFFFAOYSA-N 2 2 293.371 -0.365 20 0 CBADLP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCC[NH2+]Cc1nnn(C)n1 ZINC001166709205 820019240 /nfs/dbraw/zinc/01/92/40/820019240.db2.gz YIMMVJKSEXULQU-QWRGUYRKSA-N 2 2 295.391 -0.996 20 0 CBADLP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCC[NH2+]Cc1nnn(C)n1 ZINC001166709205 820019250 /nfs/dbraw/zinc/01/92/50/820019250.db2.gz YIMMVJKSEXULQU-QWRGUYRKSA-N 2 2 295.391 -0.996 20 0 CBADLP [NH3+][C@H]1CN(c2cc(N3CCSCC3)[nH+]cn2)C[C@H]1O ZINC001167090292 820070175 /nfs/dbraw/zinc/07/01/75/820070175.db2.gz YVXXZIIYXBRAEX-VHSXEESVSA-N 2 2 281.385 -0.462 20 0 CBADLP CCN(CC)c1cc(N2C[C@@H](O)[C@@H]([NH3+])C2)nc[nH+]1 ZINC001167091605 820070318 /nfs/dbraw/zinc/07/03/18/820070318.db2.gz CSEISEUERDWZDN-VHSXEESVSA-N 2 2 251.334 -0.169 20 0 CBADLP C[C@H]([NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1)c1nncn1C ZINC001167346119 820080212 /nfs/dbraw/zinc/08/02/12/820080212.db2.gz HVXZSWOKLYTGBD-JTQLQIEISA-N 2 2 291.359 -0.062 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001167346106 820081285 /nfs/dbraw/zinc/08/12/85/820081285.db2.gz HIWFMVUQPXFCDE-SECBINFHSA-N 2 2 267.333 -0.817 20 0 CBADLP CN(C(=O)C[NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001167349808 820082098 /nfs/dbraw/zinc/08/20/98/820082098.db2.gz HGXMIFHLVYHPDN-UHFFFAOYSA-N 2 2 293.371 -0.331 20 0 CBADLP CS(=O)(=O)CC[NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001167355570 820085304 /nfs/dbraw/zinc/08/53/04/820085304.db2.gz PVICDCHSXVNOGL-UHFFFAOYSA-N 2 2 288.373 -0.907 20 0 CBADLP CC(C)NC(=O)C[NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001167355423 820086192 /nfs/dbraw/zinc/08/61/92/820086192.db2.gz GVHJKSUFWMKHTA-UHFFFAOYSA-N 2 2 281.360 -0.427 20 0 CBADLP COC[C@@H](O)C[NH2+]CCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001167429016 820089611 /nfs/dbraw/zinc/08/96/11/820089611.db2.gz OTUHGNCHKXUYCM-OLZOCXBDSA-N 2 2 298.387 -0.063 20 0 CBADLP CC[C@@H]([NH2+]CCCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C(N)=O ZINC001167977184 820136595 /nfs/dbraw/zinc/13/65/95/820136595.db2.gz HCZNBQKIIRCPTJ-ZYHUDNBSSA-N 2 2 295.387 -0.052 20 0 CBADLP CC[C@@H]([NH2+]CCCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1)C(N)=O ZINC001167977184 820136598 /nfs/dbraw/zinc/13/65/98/820136598.db2.gz HCZNBQKIIRCPTJ-ZYHUDNBSSA-N 2 2 295.387 -0.052 20 0 CBADLP COC[C@H](O)C[NH2+]CCCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001167980065 820137780 /nfs/dbraw/zinc/13/77/80/820137780.db2.gz ZVIPSJPBHKTRSJ-WCQYABFASA-N 2 2 298.387 -0.309 20 0 CBADLP COC[C@H](O)C[NH2+]CCCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001167980065 820137783 /nfs/dbraw/zinc/13/77/83/820137783.db2.gz ZVIPSJPBHKTRSJ-WCQYABFASA-N 2 2 298.387 -0.309 20 0 CBADLP CNC(=O)C[NH2+]CC1(CCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001168500022 820163965 /nfs/dbraw/zinc/16/39/65/820163965.db2.gz OUSJRIYHVRWPEA-UHFFFAOYSA-N 2 2 293.371 -0.495 20 0 CBADLP C[NH+]1CCN(C(=[NH2+])Nc2ncc3c(n2)OCC(=O)N3)CC1 ZINC001168735616 820169131 /nfs/dbraw/zinc/16/91/31/820169131.db2.gz DADYJVUAFUVVCB-UHFFFAOYSA-N 2 2 291.315 -0.598 20 0 CBADLP C[NH+]1CCN(C(=[NH2+])Nc2ncnc3nc[nH]c32)CC1 ZINC001168735995 820169445 /nfs/dbraw/zinc/16/94/45/820169445.db2.gz HXWFZNHQKIGKSP-UHFFFAOYSA-N 2 2 260.305 -0.053 20 0 CBADLP COCCn1cc(NC(=[NH2+])N2CC[NH+](C)CC2)ncc1=O ZINC001168740707 820171035 /nfs/dbraw/zinc/17/10/35/820171035.db2.gz NNRJBJYABFRQKJ-UHFFFAOYSA-N 2 2 294.359 -0.516 20 0 CBADLP COC(=O)c1cncc(NC(=[NH2+])N2CC[NH+](C)CC2)n1 ZINC001168737437 820172362 /nfs/dbraw/zinc/17/23/62/820172362.db2.gz XDUUDSURXFICGX-UHFFFAOYSA-N 2 2 278.316 -0.143 20 0 CBADLP C[NH+]1CCN(C(=[NH2+])Nc2ccc3nncn3n2)CC1 ZINC001168740391 820172580 /nfs/dbraw/zinc/17/25/80/820172580.db2.gz HFJUVWJGNWCNAX-UHFFFAOYSA-N 2 2 260.305 -0.282 20 0 CBADLP [NH3+]Cc1nc(=O)[nH]n1-c1ccc2c(n1)OCC[NH2+]C2 ZINC001168756665 820176751 /nfs/dbraw/zinc/17/67/51/820176751.db2.gz UEINIJGTKGPJOR-UHFFFAOYSA-N 2 2 262.273 -0.691 20 0 CBADLP COCC[N@H+](C)Cc1ccnc(-n2[nH]c(=O)nc2C[NH3+])c1 ZINC001168760486 820178008 /nfs/dbraw/zinc/17/80/08/820178008.db2.gz OEMVCXQBKYZGTG-UHFFFAOYSA-N 2 2 292.343 -0.095 20 0 CBADLP COCC[N@@H+](C)Cc1ccnc(-n2[nH]c(=O)nc2C[NH3+])c1 ZINC001168760486 820178013 /nfs/dbraw/zinc/17/80/13/820178013.db2.gz OEMVCXQBKYZGTG-UHFFFAOYSA-N 2 2 292.343 -0.095 20 0 CBADLP COc1nc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nc2nc[nH]c21 ZINC001169070804 820203056 /nfs/dbraw/zinc/20/30/56/820203056.db2.gz CBTBASOWEVNURG-SSDOTTSWSA-N 2 2 289.299 -0.591 20 0 CBADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ncnc(Cl)n1 ZINC001169067298 820203345 /nfs/dbraw/zinc/20/33/45/820203345.db2.gz PCMDJRMBJXYEHF-ZCFIWIBFSA-N 2 2 254.681 -0.427 20 0 CBADLP Nc1nc2c(-n3c[nH+]cc3C[C@@H]([NH3+])CO)cc(F)cn2n1 ZINC001169075571 820206242 /nfs/dbraw/zinc/20/62/42/820206242.db2.gz TWFCZWIRDCQYBM-MRVPVSSYSA-N 2 2 291.290 -0.502 20 0 CBADLP C[S@@](=O)c1ncc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)cn1 ZINC001169075522 820206493 /nfs/dbraw/zinc/20/64/93/820206493.db2.gz HUMQISFABZAOBJ-LILOVNGRSA-N 2 2 281.341 -0.738 20 0 CBADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccc2nncn2n1 ZINC001169075567 820207593 /nfs/dbraw/zinc/20/75/93/820207593.db2.gz TUBMGXDCXQZMLZ-MRVPVSSYSA-N 2 2 259.273 -0.828 20 0 CBADLP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(=O)NCC(N)=O ZINC001169116898 820208366 /nfs/dbraw/zinc/20/83/66/820208366.db2.gz SRQZUUKHWWOMRI-XWLWVQCSSA-N 2 2 268.361 -0.809 20 0 CBADLP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(=O)NCC(N)=O ZINC001169116898 820208370 /nfs/dbraw/zinc/20/83/70/820208370.db2.gz SRQZUUKHWWOMRI-XWLWVQCSSA-N 2 2 268.361 -0.809 20 0 CBADLP Cn1ccc(C[NH2+]CCCNC(=O)Cc2[nH]cc[nH+]2)n1 ZINC001169205491 820213948 /nfs/dbraw/zinc/21/39/48/820213948.db2.gz XUKSTQXXGJJTEU-UHFFFAOYSA-N 2 2 276.344 -0.018 20 0 CBADLP O=C(C[NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1)NCC1CC1 ZINC001169204511 820214243 /nfs/dbraw/zinc/21/42/43/820214243.db2.gz NAEIBGYKSYFSBM-UHFFFAOYSA-N 2 2 293.371 -0.426 20 0 CBADLP CCOC(=O)CNC(=O)C[NH2+]C1CC[NH+](CC)CC1 ZINC001169225290 820214313 /nfs/dbraw/zinc/21/43/13/820214313.db2.gz QWZDRQLNTDKKTR-UHFFFAOYSA-N 2 2 271.361 -0.260 20 0 CBADLP CCNC(=O)C[NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001169205289 820214473 /nfs/dbraw/zinc/21/44/73/820214473.db2.gz XFSMMRBHGFOHNS-UHFFFAOYSA-N 2 2 267.333 -0.816 20 0 CBADLP CN1CCC[C@H]([NH2+]CCCNC(=O)Cc2[nH]cc[nH+]2)C1=O ZINC001169204827 820214915 /nfs/dbraw/zinc/21/49/15/820214915.db2.gz RZJFYYOASASRFR-NSHDSACASA-N 2 2 293.371 -0.331 20 0 CBADLP CC(C)N(C)C(=O)C[NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001169204485 820215238 /nfs/dbraw/zinc/21/52/38/820215238.db2.gz LPVGKVDVNQOFTR-UHFFFAOYSA-N 2 2 295.387 -0.085 20 0 CBADLP CS(=O)(=O)C1CCC([NH2+][C@@H]2COC[C@H]2[NH3+])CC1 ZINC001169859142 820267332 /nfs/dbraw/zinc/26/73/32/820267332.db2.gz WHYQCLVIEKXHLJ-JPPWEJMLSA-N 2 2 262.375 -0.342 20 0 CBADLP COC(=O)c1[nH+]ccc(N[C@@H]2C[NH2+]C[C@@H]2CO)c1C ZINC001170778937 820321428 /nfs/dbraw/zinc/32/14/28/820321428.db2.gz AYAGSSOAGJMSRD-MWLCHTKSSA-N 2 2 265.313 -0.409 20 0 CBADLP CN1CCOc2c1cn[nH+]c2N[C@H]([NH3+])CCC[NH3+] ZINC001170895988 820333391 /nfs/dbraw/zinc/33/33/91/820333391.db2.gz BJPVFQLLTVIAAM-VIFPVBQESA-N 3 2 252.322 -0.259 20 0 CBADLP C[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](C)[C@@H](CO)C2)C1 ZINC001171138275 820346926 /nfs/dbraw/zinc/34/69/26/820346926.db2.gz HDZRZBQQDJACGC-VXGBXAGGSA-N 2 2 255.362 -0.537 20 0 CBADLP C[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)[C@@H](CO)C2)C1 ZINC001171138275 820346938 /nfs/dbraw/zinc/34/69/38/820346938.db2.gz HDZRZBQQDJACGC-VXGBXAGGSA-N 2 2 255.362 -0.537 20 0 CBADLP C[C@@H]1CC[NH+](CC(=O)N2CC[N@H+](C)[C@@H](CO)C2)C1 ZINC001171138275 820346950 /nfs/dbraw/zinc/34/69/50/820346950.db2.gz HDZRZBQQDJACGC-VXGBXAGGSA-N 2 2 255.362 -0.537 20 0 CBADLP C[C@@H]1CC[NH+](CC(=O)N2CC[N@@H+](C)[C@@H](CO)C2)C1 ZINC001171138275 820346960 /nfs/dbraw/zinc/34/69/60/820346960.db2.gz HDZRZBQQDJACGC-VXGBXAGGSA-N 2 2 255.362 -0.537 20 0 CBADLP Cn1ccnc1C[NH2+]CCCNC(=O)Cc1c[nH+]cn1C ZINC001171237362 820354738 /nfs/dbraw/zinc/35/47/38/820354738.db2.gz GWBMZBGHPGXESS-UHFFFAOYSA-N 2 2 290.371 -0.008 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NCCC[NH2+]Cc1ccnn1C ZINC001171237435 820354879 /nfs/dbraw/zinc/35/48/79/820354879.db2.gz JTNSHHWSMLEBJW-UHFFFAOYSA-N 2 2 290.371 -0.008 20 0 CBADLP Cn1cnnc1C[NH2+]CCCNC(=O)Cc1c[nH+]cn1C ZINC001171236866 820355600 /nfs/dbraw/zinc/35/56/00/820355600.db2.gz FWXHMCZDDBQXIO-UHFFFAOYSA-N 2 2 291.359 -0.613 20 0 CBADLP [NH3+]C[C@@H]1C[N@@H+]([C@@H]2CCN(C3CC3)C(=O)C2)CCO1 ZINC001172000602 820373703 /nfs/dbraw/zinc/37/37/03/820373703.db2.gz QODYJMVCBJGRCV-VXGBXAGGSA-N 2 2 253.346 -0.201 20 0 CBADLP [NH3+]C[C@@H]1C[N@H+]([C@@H]2CCN(C3CC3)C(=O)C2)CCO1 ZINC001172000602 820373708 /nfs/dbraw/zinc/37/37/08/820373708.db2.gz QODYJMVCBJGRCV-VXGBXAGGSA-N 2 2 253.346 -0.201 20 0 CBADLP COCCC[NH+]1CCC([NH+]2CC(C(N)=O)C2)CC1 ZINC001172255046 820393854 /nfs/dbraw/zinc/39/38/54/820393854.db2.gz GUYIZKSTVVIWRL-UHFFFAOYSA-N 2 2 255.362 -0.096 20 0 CBADLP COC(=O)[C@@H]1C[C@H]([NH2+]C2(C[NH3+])CC2)C[C@@H]1C(=O)OC ZINC001173572951 820405809 /nfs/dbraw/zinc/40/58/09/820405809.db2.gz OEHQKLYYCPVCSM-ILWJIGKKSA-N 2 2 270.329 -0.192 20 0 CBADLP [NH3+][C@@H]1COC[C@H]1[NH2+][C@@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173731624 820408571 /nfs/dbraw/zinc/40/85/71/820408571.db2.gz AWFHCIQKUPNPOF-GWOFURMSSA-N 2 2 252.322 -0.528 20 0 CBADLP C[NH+]1CCN(C(=[NH2+])N[C@@H]2CCC[C@@H](n3ncnn3)C2)CC1 ZINC001173743800 820409972 /nfs/dbraw/zinc/40/99/72/820409972.db2.gz RAWSVNCYCSVWDD-VXGBXAGGSA-N 2 2 292.391 -0.071 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCCC[NH2+]Cc1nnnn1C ZINC001174682236 820415023 /nfs/dbraw/zinc/41/50/23/820415023.db2.gz HGZAOAIWLUYFTJ-UHFFFAOYSA-N 2 2 292.347 -0.920 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]CCCNC(=O)Cc1[nH]c[nH+]c1C ZINC001174691429 820416150 /nfs/dbraw/zinc/41/61/50/820416150.db2.gz LQSVOVPXQVWFNZ-JTQLQIEISA-N 2 2 281.360 -0.509 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]CCCNC(=O)CCc1c[nH+]cn1C ZINC001175002618 820420428 /nfs/dbraw/zinc/42/04/28/820420428.db2.gz JXFPQPZEXYEQHF-NSHDSACASA-N 2 2 295.387 -0.417 20 0 CBADLP C[C@H]([NH2+]CCCNC(=O)CCc1c[nH+]cn1C)C(N)=O ZINC001175002490 820420561 /nfs/dbraw/zinc/42/05/61/820420561.db2.gz IJZRIHBLHUGVHE-JTQLQIEISA-N 2 2 281.360 -0.678 20 0 CBADLP C[C@@H](CCCC[NH2+]CC(N)=O)NC(=O)Cc1c[nH]c[nH+]1 ZINC001175479686 820426253 /nfs/dbraw/zinc/42/62/53/820426253.db2.gz RXVRODUJEVWETK-JTQLQIEISA-N 2 2 281.360 -0.298 20 0 CBADLP C[C@H](O)C[NH2+]CCCNC(=O)[C@H](C1CC1)[NH+]1CCOCC1 ZINC001176675715 820456341 /nfs/dbraw/zinc/45/63/41/820456341.db2.gz LZXBVYOEDYVAQN-JSGCOSHPSA-N 2 2 299.415 -0.426 20 0 CBADLP CCOC(=O)CN(CC[NH3+])C(=O)Cc1c[nH+]c[nH]1 ZINC001176836698 820460907 /nfs/dbraw/zinc/46/09/07/820460907.db2.gz OIIWHUUGZHYLOK-UHFFFAOYSA-N 2 2 254.290 -0.697 20 0 CBADLP C[NH+](C)CCCC(=O)N1CC[C@H]2OCC[N@H+](CCO)[C@@H]2C1 ZINC001177087871 820493035 /nfs/dbraw/zinc/49/30/35/820493035.db2.gz HAWLVOGNYIJWAT-ZIAGYGMSSA-N 2 2 299.415 -0.378 20 0 CBADLP C[NH+](C)CCCC(=O)N1CC[C@H]2OCC[N@@H+](CCO)[C@@H]2C1 ZINC001177087871 820493041 /nfs/dbraw/zinc/49/30/41/820493041.db2.gz HAWLVOGNYIJWAT-ZIAGYGMSSA-N 2 2 299.415 -0.378 20 0 CBADLP CC[N@H+](C)CCC(=O)N1CC[C@H]2OCC[NH+](CCO)[C@H]2C1 ZINC001177125532 820494328 /nfs/dbraw/zinc/49/43/28/820494328.db2.gz RHSOJOBPZLEERG-UONOGXRCSA-N 2 2 299.415 -0.378 20 0 CBADLP CC[N@@H+](C)CCC(=O)N1CC[C@H]2OCC[NH+](CCO)[C@H]2C1 ZINC001177125532 820494334 /nfs/dbraw/zinc/49/43/34/820494334.db2.gz RHSOJOBPZLEERG-UONOGXRCSA-N 2 2 299.415 -0.378 20 0 CBADLP CC[NH+](C)CCC(=O)N1CC[C@H]2OCC[N@H+](CCO)[C@H]2C1 ZINC001177125532 820494337 /nfs/dbraw/zinc/49/43/37/820494337.db2.gz RHSOJOBPZLEERG-UONOGXRCSA-N 2 2 299.415 -0.378 20 0 CBADLP CC[NH+](C)CCC(=O)N1CC[C@H]2OCC[N@@H+](CCO)[C@H]2C1 ZINC001177125532 820494343 /nfs/dbraw/zinc/49/43/43/820494343.db2.gz RHSOJOBPZLEERG-UONOGXRCSA-N 2 2 299.415 -0.378 20 0 CBADLP CN(C(=O)C[NH2+]CCCNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001177400401 820509872 /nfs/dbraw/zinc/50/98/72/820509872.db2.gz HWRYTEBLVOLDHW-UHFFFAOYSA-N 2 2 293.371 -0.400 20 0 CBADLP CCCCNC(=O)C[NH2+]CCCNC(=O)Cn1cc[nH+]c1 ZINC001177400195 820510821 /nfs/dbraw/zinc/51/08/21/820510821.db2.gz FDWLVRISFQQVKN-UHFFFAOYSA-N 2 2 295.387 -0.105 20 0 CBADLP CN(C)C(=O)C[NH2+]CCCNC(=O)Cn1cc[nH+]c1 ZINC001177401936 820511280 /nfs/dbraw/zinc/51/12/80/820511280.db2.gz YHGBUHWEKUGUGI-UHFFFAOYSA-N 2 2 267.333 -0.933 20 0 CBADLP CN1CCC[C@@H]([NH2+]CCCNC(=O)Cn2cc[nH+]c2)C1=O ZINC001177404777 820511456 /nfs/dbraw/zinc/51/14/56/820511456.db2.gz GWZKTXFSFPJRIJ-GFCCVEGCSA-N 2 2 293.371 -0.400 20 0 CBADLP CCN1CC[C@H]([NH2+]CCCNC(=O)Cn2cc[nH+]c2)C1=O ZINC001177404821 820511813 /nfs/dbraw/zinc/51/18/13/820511813.db2.gz HLEGNQHPHXNEGL-LBPRGKRZSA-N 2 2 293.371 -0.400 20 0 CBADLP Cn1ncc(C[NH2+]CCCNC(=O)Cn2cc[nH+]c2)n1 ZINC001177401152 820511843 /nfs/dbraw/zinc/51/18/43/820511843.db2.gz RJEYSIQDQALDRB-UHFFFAOYSA-N 2 2 277.332 -0.692 20 0 CBADLP CC[C@@H](C)NC(=O)C[NH2+]CCCNC(=O)Cn1cc[nH+]c1 ZINC001177400981 820511904 /nfs/dbraw/zinc/51/19/04/820511904.db2.gz OYYGJTFOHCVGHO-GFCCVEGCSA-N 2 2 295.387 -0.106 20 0 CBADLP CCOCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)[C@H]1C ZINC001178419025 820580964 /nfs/dbraw/zinc/58/09/64/820580964.db2.gz XYBHYALVVJNXQV-IHRRRGAJSA-N 2 2 299.415 -0.068 20 0 CBADLP CCOCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H]1C ZINC001178419025 820580971 /nfs/dbraw/zinc/58/09/71/820580971.db2.gz XYBHYALVVJNXQV-IHRRRGAJSA-N 2 2 299.415 -0.068 20 0 CBADLP COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H]1C ZINC001179618062 820636851 /nfs/dbraw/zinc/63/68/51/820636851.db2.gz ZGAIKKBEGSFAIB-DRZSPHRISA-N 2 2 296.371 -0.462 20 0 CBADLP C[C@H]1[C@@H]([NH2+]CCCO)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001179783139 820639963 /nfs/dbraw/zinc/63/99/63/820639963.db2.gz DHCDFFZICMAEJZ-QWRGUYRKSA-N 2 2 266.345 -0.086 20 0 CBADLP COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@H]1C ZINC001179783605 820640818 /nfs/dbraw/zinc/64/08/18/820640818.db2.gz XQUXLXMROXKBAQ-SRVKXCTJSA-N 2 2 296.371 -0.462 20 0 CBADLP COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@H]1C ZINC001180280094 820665356 /nfs/dbraw/zinc/66/53/56/820665356.db2.gz RWYVYOAFMYVFEZ-XQQFMLRXSA-N 2 2 296.371 -0.531 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@H]1C ZINC001180288447 820665541 /nfs/dbraw/zinc/66/55/41/820665541.db2.gz XUQSGIBVILCGPA-WOPDTQHZSA-N 2 2 293.371 -0.403 20 0 CBADLP C[C@@H](C(=O)NCC[NH+]1CC2(COC2)C1)[NH+]1CCCC1 ZINC001180582327 820695207 /nfs/dbraw/zinc/69/52/07/820695207.db2.gz KZOCNNQDYPVHJT-LBPRGKRZSA-N 2 2 267.373 -0.081 20 0 CBADLP NC(=O)C1CC[NH+](CCC(=O)NCCn2cc[nH+]c2)CC1 ZINC001180607671 820700045 /nfs/dbraw/zinc/70/00/45/820700045.db2.gz GWBOQIKBWDALAN-UHFFFAOYSA-N 2 2 293.371 -0.413 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N(c2ncccn2)C2C[NH2+]C2)C1 ZINC001180758498 820719200 /nfs/dbraw/zinc/71/92/00/820719200.db2.gz HUOAFVLLPFYXTI-LLVKDONJSA-N 2 2 277.328 -0.888 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N(c2ncccn2)C2C[NH2+]C2)C1 ZINC001180758498 820719205 /nfs/dbraw/zinc/71/92/05/820719205.db2.gz HUOAFVLLPFYXTI-LLVKDONJSA-N 2 2 277.328 -0.888 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)NC2C[NH+](C(C)(C)C)C2)C1 ZINC001180762649 820721735 /nfs/dbraw/zinc/72/17/35/820721735.db2.gz OOLRLFMKLVFDCH-LLVKDONJSA-N 2 2 255.362 -0.084 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)NC2C[NH+](C(C)(C)C)C2)C1 ZINC001180762649 820721745 /nfs/dbraw/zinc/72/17/45/820721745.db2.gz OOLRLFMKLVFDCH-LLVKDONJSA-N 2 2 255.362 -0.084 20 0 CBADLP Nc1ccc(CCC(=O)NC2(C[NH3+])COC2)c[nH+]1 ZINC001183936855 821041246 /nfs/dbraw/zinc/04/12/46/821041246.db2.gz VPVZSILYFIUJEC-UHFFFAOYSA-N 2 2 250.302 -0.560 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)N1CC[C@@H]([NH2+]CCCO)C1 ZINC001184492258 821078283 /nfs/dbraw/zinc/07/82/83/821078283.db2.gz PADLKRWZCDPKKS-GFCCVEGCSA-N 2 2 280.372 -0.074 20 0 CBADLP CN1CC[N@H+](C)C[C@H]1C(=O)NCCOc1cc[nH+]cc1 ZINC001185268578 821120653 /nfs/dbraw/zinc/12/06/53/821120653.db2.gz DJGXTVNDOULKQP-ZDUSSCGKSA-N 2 2 278.356 -0.178 20 0 CBADLP CN1CC[N@@H+](C)C[C@H]1C(=O)NCCOc1cc[nH+]cc1 ZINC001185268578 821120660 /nfs/dbraw/zinc/12/06/60/821120660.db2.gz DJGXTVNDOULKQP-ZDUSSCGKSA-N 2 2 278.356 -0.178 20 0 CBADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@@H]1C[NH2+]CCO ZINC001185790117 821141397 /nfs/dbraw/zinc/14/13/97/821141397.db2.gz XVGLYZKGZFCVOU-CHWSQXEVSA-N 2 2 280.372 -0.050 20 0 CBADLP COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001185918176 821144907 /nfs/dbraw/zinc/14/49/07/821144907.db2.gz KPOMTKPOXBYESS-PWSUYJOCSA-N 2 2 282.344 -0.850 20 0 CBADLP CC(C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001185919706 821145693 /nfs/dbraw/zinc/14/56/93/821145693.db2.gz ZGAVVKKZRYRCLG-LLVKDONJSA-N 2 2 293.371 -0.333 20 0 CBADLP C[C@@H]([NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1)C(=O)N(C)C ZINC001185924987 821146409 /nfs/dbraw/zinc/14/64/09/821146409.db2.gz IYXDHTQRZMXETD-GHMZBOCLSA-N 2 2 293.371 -0.381 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001185926624 821147517 /nfs/dbraw/zinc/14/75/17/821147517.db2.gz YJFPSDDIFAWAPQ-NXEZZACHSA-N 2 2 279.344 -0.723 20 0 CBADLP C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)C[NH+]1CC[C@@H](O)C1 ZINC001186036688 821154870 /nfs/dbraw/zinc/15/48/70/821154870.db2.gz CAWLRKWLGJDUDC-QJPTWQEYSA-N 2 2 255.362 -0.396 20 0 CBADLP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)C[NH+]1CC[C@@H](O)C1 ZINC001186036688 821154874 /nfs/dbraw/zinc/15/48/74/821154874.db2.gz CAWLRKWLGJDUDC-QJPTWQEYSA-N 2 2 255.362 -0.396 20 0 CBADLP C[C@@H]1C[NH+](C)[C@@H](C)CN1C(=O)C[N@@H+]1CC[C@@H](O)C1 ZINC001186036688 821154876 /nfs/dbraw/zinc/15/48/76/821154876.db2.gz CAWLRKWLGJDUDC-QJPTWQEYSA-N 2 2 255.362 -0.396 20 0 CBADLP C[C@@H]1C[NH+](C)[C@@H](C)CN1C(=O)C[N@H+]1CC[C@@H](O)C1 ZINC001186036688 821154879 /nfs/dbraw/zinc/15/48/79/821154879.db2.gz CAWLRKWLGJDUDC-QJPTWQEYSA-N 2 2 255.362 -0.396 20 0 CBADLP Cc1[nH+]ccn1CCNC(=O)C[N@@H+]1CC[C@H](O)C1 ZINC001186049768 821158958 /nfs/dbraw/zinc/15/89/58/821158958.db2.gz OHBVMTAOHMDYKA-NSHDSACASA-N 2 2 252.318 -0.626 20 0 CBADLP Cc1[nH+]ccn1CCNC(=O)C[N@H+]1CC[C@H](O)C1 ZINC001186049768 821158964 /nfs/dbraw/zinc/15/89/64/821158964.db2.gz OHBVMTAOHMDYKA-NSHDSACASA-N 2 2 252.318 -0.626 20 0 CBADLP C[NH+]1CCC[C@H](C(=O)NC[C@@H]2C[N@H+](C)CCO2)C1 ZINC001186362922 821179285 /nfs/dbraw/zinc/17/92/85/821179285.db2.gz WMVSBBARFBSAFA-NWDGAFQWSA-N 2 2 255.362 -0.225 20 0 CBADLP C[NH+]1CCC[C@H](C(=O)NC[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001186362922 821179288 /nfs/dbraw/zinc/17/92/88/821179288.db2.gz WMVSBBARFBSAFA-NWDGAFQWSA-N 2 2 255.362 -0.225 20 0 CBADLP C[NH+]1CCO[C@H](CNC(=O)[C@H]2CCC[N@H+](C)C2)C1 ZINC001186362922 821179294 /nfs/dbraw/zinc/17/92/94/821179294.db2.gz WMVSBBARFBSAFA-NWDGAFQWSA-N 2 2 255.362 -0.225 20 0 CBADLP C[NH+]1CCO[C@H](CNC(=O)[C@H]2CCC[N@@H+](C)C2)C1 ZINC001186362922 821179299 /nfs/dbraw/zinc/17/92/99/821179299.db2.gz WMVSBBARFBSAFA-NWDGAFQWSA-N 2 2 255.362 -0.225 20 0 CBADLP COCCNC(=O)NCC1([NH+](C)C)CC[NH+](C)CC1 ZINC001186558050 821186550 /nfs/dbraw/zinc/18/65/50/821186550.db2.gz AFCASDBKXVLECG-UHFFFAOYSA-N 2 2 272.393 -0.042 20 0 CBADLP COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001186576748 821189571 /nfs/dbraw/zinc/18/95/71/821189571.db2.gz YFSUIRKLRUPSPE-GHMZBOCLSA-N 2 2 282.344 -0.850 20 0 CBADLP O=C([C@@H]1CCn2c[nH+]cc2C1)N(CCO)CC[NH2+]CCF ZINC001279746834 828336733 /nfs/dbraw/zinc/33/67/33/828336733.db2.gz UGWDEROOBQANRU-GFCCVEGCSA-N 2 2 298.362 -0.175 20 0 CBADLP O=C([C@H]1CCc2[nH+]ccn2C1)N(CCO)CC[NH2+]CCF ZINC001279746914 828337091 /nfs/dbraw/zinc/33/70/91/828337091.db2.gz WIPQVGNAXTXDGR-LBPRGKRZSA-N 2 2 298.362 -0.175 20 0 CBADLP COCCOCC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001188369091 822332903 /nfs/dbraw/zinc/33/29/03/822332903.db2.gz PWQUBIJOIXAAAV-CYBMUJFWSA-N 2 2 296.371 -0.263 20 0 CBADLP C[C@@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+][C@@H](C)C(N)=O ZINC001281767882 828424512 /nfs/dbraw/zinc/42/45/12/828424512.db2.gz FFYZVHAPBBUONQ-UWVGGRQHSA-N 2 2 267.333 -0.759 20 0 CBADLP CNC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001282207386 828438897 /nfs/dbraw/zinc/43/88/97/828438897.db2.gz OICMIKKFUPZRQX-DTWKUNHWSA-N 2 2 267.333 -0.819 20 0 CBADLP CC[C@H](C(=O)NCCNC(=O)Cc1[nH]cc[nH+]1)[NH+](C)C ZINC001283086168 828495805 /nfs/dbraw/zinc/49/58/05/828495805.db2.gz KRWVTBDTZIIJAN-SNVBAGLBSA-N 2 2 281.360 -0.475 20 0 CBADLP CNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001190949491 823862162 /nfs/dbraw/zinc/86/21/62/823862162.db2.gz ZWUPVVMWUOMNJH-OLZOCXBDSA-N 2 2 296.415 -0.251 20 0 CBADLP CNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001190949491 823862166 /nfs/dbraw/zinc/86/21/66/823862166.db2.gz ZWUPVVMWUOMNJH-OLZOCXBDSA-N 2 2 296.415 -0.251 20 0 CBADLP CNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001190949491 823862169 /nfs/dbraw/zinc/86/21/69/823862169.db2.gz ZWUPVVMWUOMNJH-OLZOCXBDSA-N 2 2 296.415 -0.251 20 0 CBADLP CNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001190949491 823862173 /nfs/dbraw/zinc/86/21/73/823862173.db2.gz ZWUPVVMWUOMNJH-OLZOCXBDSA-N 2 2 296.415 -0.251 20 0 CBADLP CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001191802158 823923075 /nfs/dbraw/zinc/92/30/75/823923075.db2.gz KGOKXKQKIGPUDX-FRRDWIJNSA-N 2 2 285.388 -0.722 20 0 CBADLP CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001191802158 823923087 /nfs/dbraw/zinc/92/30/87/823923087.db2.gz KGOKXKQKIGPUDX-FRRDWIJNSA-N 2 2 285.388 -0.722 20 0 CBADLP CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001191802158 823923092 /nfs/dbraw/zinc/92/30/92/823923092.db2.gz KGOKXKQKIGPUDX-FRRDWIJNSA-N 2 2 285.388 -0.722 20 0 CBADLP CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001191802158 823923100 /nfs/dbraw/zinc/92/31/00/823923100.db2.gz KGOKXKQKIGPUDX-FRRDWIJNSA-N 2 2 285.388 -0.722 20 0 CBADLP CNC(=O)[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001192551841 823976305 /nfs/dbraw/zinc/97/63/05/823976305.db2.gz UIUWZISPEMXDEI-CMPLNLGQSA-N 2 2 293.371 -0.381 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001192551841 823976307 /nfs/dbraw/zinc/97/63/07/823976307.db2.gz UIUWZISPEMXDEI-CMPLNLGQSA-N 2 2 293.371 -0.381 20 0 CBADLP COCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001192590806 823976860 /nfs/dbraw/zinc/97/68/60/823976860.db2.gz LMQNYYBATADAKQ-VXGBXAGGSA-N 2 2 296.371 -0.460 20 0 CBADLP COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001192590806 823976867 /nfs/dbraw/zinc/97/68/67/823976867.db2.gz LMQNYYBATADAKQ-VXGBXAGGSA-N 2 2 296.371 -0.460 20 0 CBADLP CCC[NH2+]C[C@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001284460750 828598383 /nfs/dbraw/zinc/59/83/83/828598383.db2.gz UTHDHHDWVHOMBD-JTQLQIEISA-N 2 2 254.334 -0.229 20 0 CBADLP CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001194126542 824060372 /nfs/dbraw/zinc/06/03/72/824060372.db2.gz CHGAXCABDGXCHL-MGPQQGTHSA-N 2 2 299.415 -0.332 20 0 CBADLP CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001194126542 824060374 /nfs/dbraw/zinc/06/03/74/824060374.db2.gz CHGAXCABDGXCHL-MGPQQGTHSA-N 2 2 299.415 -0.332 20 0 CBADLP CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001194126542 824060377 /nfs/dbraw/zinc/06/03/77/824060377.db2.gz CHGAXCABDGXCHL-MGPQQGTHSA-N 2 2 299.415 -0.332 20 0 CBADLP CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001194126542 824060379 /nfs/dbraw/zinc/06/03/79/824060379.db2.gz CHGAXCABDGXCHL-MGPQQGTHSA-N 2 2 299.415 -0.332 20 0 CBADLP CCOCC[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001195404678 824116157 /nfs/dbraw/zinc/11/61/57/824116157.db2.gz QXNPTHPKDLVUSG-CQSZACIVSA-N 2 2 299.415 -0.112 20 0 CBADLP CCOCC[N@H+]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001195404678 824116160 /nfs/dbraw/zinc/11/61/60/824116160.db2.gz QXNPTHPKDLVUSG-CQSZACIVSA-N 2 2 299.415 -0.112 20 0 CBADLP CCOCC[NH+]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001195404678 824116163 /nfs/dbraw/zinc/11/61/63/824116163.db2.gz QXNPTHPKDLVUSG-CQSZACIVSA-N 2 2 299.415 -0.112 20 0 CBADLP CCOCC[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001195404678 824116166 /nfs/dbraw/zinc/11/61/66/824116166.db2.gz QXNPTHPKDLVUSG-CQSZACIVSA-N 2 2 299.415 -0.112 20 0 CBADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@H]1O ZINC001195872018 824135753 /nfs/dbraw/zinc/13/57/53/824135753.db2.gz WWWPFQBADAEXMN-VRJVPJCWSA-N 2 2 275.780 -0.148 20 0 CBADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H]1O ZINC001195872018 824135756 /nfs/dbraw/zinc/13/57/56/824135756.db2.gz WWWPFQBADAEXMN-VRJVPJCWSA-N 2 2 275.780 -0.148 20 0 CBADLP CNC(=O)C[N@@H+]1CCCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001197871737 824206924 /nfs/dbraw/zinc/20/69/24/824206924.db2.gz YYSKIUGVMZJYKH-UHFFFAOYSA-N 2 2 298.431 -0.001 20 0 CBADLP CNC(=O)C[N@H+]1CCCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001197871737 824206930 /nfs/dbraw/zinc/20/69/30/824206930.db2.gz YYSKIUGVMZJYKH-UHFFFAOYSA-N 2 2 298.431 -0.001 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CCC[N@@H+](CCOCCO)CC1 ZINC001198367998 824225997 /nfs/dbraw/zinc/22/59/97/824225997.db2.gz IWBOZWBDSMJSID-UHFFFAOYSA-N 2 2 296.371 -0.574 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CCC[N@H+](CCOCCO)CC1 ZINC001198367998 824226001 /nfs/dbraw/zinc/22/60/01/824226001.db2.gz IWBOZWBDSMJSID-UHFFFAOYSA-N 2 2 296.371 -0.574 20 0 CBADLP COC[C@@H](O)C[N@@H+]1CCCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001198368036 824226749 /nfs/dbraw/zinc/22/67/49/824226749.db2.gz KHGPQYBMQFEWTO-ZDUSSCGKSA-N 2 2 296.371 -0.575 20 0 CBADLP COCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001199406616 824267317 /nfs/dbraw/zinc/26/73/17/824267317.db2.gz UCURWGUISSUJMK-CHWSQXEVSA-N 2 2 296.371 -0.529 20 0 CBADLP COCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001199406616 824267323 /nfs/dbraw/zinc/26/73/23/824267323.db2.gz UCURWGUISSUJMK-CHWSQXEVSA-N 2 2 296.371 -0.529 20 0 CBADLP C[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCCO1 ZINC001201483794 824332925 /nfs/dbraw/zinc/33/29/25/824332925.db2.gz OWQBKLAOJWPYBS-WCQYABFASA-N 2 2 296.371 -0.460 20 0 CBADLP C[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCCO1 ZINC001201719142 824335107 /nfs/dbraw/zinc/33/51/07/824335107.db2.gz GVQOIOFQRKHJLJ-VXGBXAGGSA-N 2 2 296.371 -0.460 20 0 CBADLP CNC(=O)C[NH2+]C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001203337960 824361831 /nfs/dbraw/zinc/36/18/31/824361831.db2.gz YVTHUAALGKTXEU-UHFFFAOYSA-N 2 2 293.371 -0.711 20 0 CBADLP COC[C@H](O)C[NH2+]C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001204075720 824364074 /nfs/dbraw/zinc/36/40/74/824364074.db2.gz CMTVVDPHQIFEHF-CYBMUJFWSA-N 2 2 296.371 -0.529 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CCC([NH2+]CCOCCO)CC1 ZINC001204075578 824364407 /nfs/dbraw/zinc/36/44/07/824364407.db2.gz ABVSXWZREGZUCT-UHFFFAOYSA-N 2 2 296.371 -0.527 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CCC([NH2+]CCCO)CC1 ZINC001204076446 824364892 /nfs/dbraw/zinc/36/48/92/824364892.db2.gz MLSGGEDXQMBESF-UHFFFAOYSA-N 2 2 266.345 -0.154 20 0 CBADLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1C[C@@H]1OC(C)(C)O[C@@H]1[C@H](O)CO ZINC001205064801 824373760 /nfs/dbraw/zinc/37/37/60/824373760.db2.gz WBMQYJQTERSQQP-IEECTRCBSA-N 2 2 288.388 -0.329 20 0 CBADLP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1C[C@@H]1OC(C)(C)O[C@@H]1[C@H](O)CO ZINC001205064801 824373763 /nfs/dbraw/zinc/37/37/63/824373763.db2.gz WBMQYJQTERSQQP-IEECTRCBSA-N 2 2 288.388 -0.329 20 0 CBADLP [NH3+]C[C@@]1(O)CCC[N@H+](Cc2cnc3n2CC[NH2+]C3)CC1 ZINC001205256893 824376383 /nfs/dbraw/zinc/37/63/83/824376383.db2.gz RWOMFYGFNQXGLE-CQSZACIVSA-N 3 2 279.388 -0.338 20 0 CBADLP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2cnc3n2CC[NH2+]C3)CC1 ZINC001205256893 824376385 /nfs/dbraw/zinc/37/63/85/824376385.db2.gz RWOMFYGFNQXGLE-CQSZACIVSA-N 3 2 279.388 -0.338 20 0 CBADLP COCCn1cc(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cn1 ZINC001206470370 824400730 /nfs/dbraw/zinc/40/07/30/824400730.db2.gz XBRVQVTWLHSEDD-NWDGAFQWSA-N 2 2 254.334 -0.719 20 0 CBADLP COCCn1cc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cn1 ZINC001206470370 824400734 /nfs/dbraw/zinc/40/07/34/824400734.db2.gz XBRVQVTWLHSEDD-NWDGAFQWSA-N 2 2 254.334 -0.719 20 0 CBADLP COCc1cccc(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)n1 ZINC001206481634 824400796 /nfs/dbraw/zinc/40/07/96/824400796.db2.gz VVTRVQNIVALOEP-GXFFZTMASA-N 2 2 251.330 -0.021 20 0 CBADLP COCc1cccc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)n1 ZINC001206481634 824400800 /nfs/dbraw/zinc/40/08/00/824400800.db2.gz VVTRVQNIVALOEP-GXFFZTMASA-N 2 2 251.330 -0.021 20 0 CBADLP CCOC(=O)c1cc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c[nH]1 ZINC001206530351 824401819 /nfs/dbraw/zinc/40/18/19/824401819.db2.gz GJYDFUUNRCJZMS-JQWIXIFHSA-N 2 2 267.329 -0.057 20 0 CBADLP CCOC(=O)c1cc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c[nH]1 ZINC001206530351 824401823 /nfs/dbraw/zinc/40/18/23/824401823.db2.gz GJYDFUUNRCJZMS-JQWIXIFHSA-N 2 2 267.329 -0.057 20 0 CBADLP CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001206586190 824403586 /nfs/dbraw/zinc/40/35/86/824403586.db2.gz QVRNOAVBLUTBDN-JHJVBQTASA-N 2 2 296.415 -0.347 20 0 CBADLP CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001206586190 824403587 /nfs/dbraw/zinc/40/35/87/824403587.db2.gz QVRNOAVBLUTBDN-JHJVBQTASA-N 2 2 296.415 -0.347 20 0 CBADLP CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001206586190 824403589 /nfs/dbraw/zinc/40/35/89/824403589.db2.gz QVRNOAVBLUTBDN-JHJVBQTASA-N 2 2 296.415 -0.347 20 0 CBADLP CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001206586190 824403590 /nfs/dbraw/zinc/40/35/90/824403590.db2.gz QVRNOAVBLUTBDN-JHJVBQTASA-N 2 2 296.415 -0.347 20 0 CBADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C)[NH+](C)C ZINC001207702984 824435442 /nfs/dbraw/zinc/43/54/42/824435442.db2.gz FOIBZOCBTWQIGW-GMTAPVOTSA-N 2 2 270.377 -0.752 20 0 CBADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C)[NH+](C)C ZINC001207702984 824435446 /nfs/dbraw/zinc/43/54/46/824435446.db2.gz FOIBZOCBTWQIGW-GMTAPVOTSA-N 2 2 270.377 -0.752 20 0 CBADLP C[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001208247305 824448487 /nfs/dbraw/zinc/44/84/87/824448487.db2.gz ACZFDSJLRZXREK-VXGBXAGGSA-N 2 2 266.345 -0.298 20 0 CBADLP C[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001208247305 824448489 /nfs/dbraw/zinc/44/84/89/824448489.db2.gz ACZFDSJLRZXREK-VXGBXAGGSA-N 2 2 266.345 -0.298 20 0 CBADLP C[N@@H+]1CCC[C@H](C[NH+]2CCN3C(=O)COC[C@H]3C2)C1 ZINC001208618538 824456245 /nfs/dbraw/zinc/45/62/45/824456245.db2.gz YGUPFXHSRWMLFQ-QWHCGFSZSA-N 2 2 267.373 -0.129 20 0 CBADLP C[N@H+]1CCC[C@H](C[NH+]2CCN3C(=O)COC[C@H]3C2)C1 ZINC001208618538 824456246 /nfs/dbraw/zinc/45/62/46/824456246.db2.gz YGUPFXHSRWMLFQ-QWHCGFSZSA-N 2 2 267.373 -0.129 20 0 CBADLP C[NH+]1CCC[C@H](C[N@@H+]2CCN3C(=O)COC[C@H]3C2)C1 ZINC001208618538 824456247 /nfs/dbraw/zinc/45/62/47/824456247.db2.gz YGUPFXHSRWMLFQ-QWHCGFSZSA-N 2 2 267.373 -0.129 20 0 CBADLP C[NH+]1CCC[C@H](C[N@H+]2CCN3C(=O)COC[C@H]3C2)C1 ZINC001208618538 824456248 /nfs/dbraw/zinc/45/62/48/824456248.db2.gz YGUPFXHSRWMLFQ-QWHCGFSZSA-N 2 2 267.373 -0.129 20 0 CBADLP C[N@@H+]1CCC[C@@H](C[NH+]2CCN3C(=O)COC[C@H]3C2)C1 ZINC001208618536 824456724 /nfs/dbraw/zinc/45/67/24/824456724.db2.gz YGUPFXHSRWMLFQ-CHWSQXEVSA-N 2 2 267.373 -0.129 20 0 CBADLP C[N@H+]1CCC[C@@H](C[NH+]2CCN3C(=O)COC[C@H]3C2)C1 ZINC001208618536 824456726 /nfs/dbraw/zinc/45/67/26/824456726.db2.gz YGUPFXHSRWMLFQ-CHWSQXEVSA-N 2 2 267.373 -0.129 20 0 CBADLP C[NH+]1CCC[C@@H](C[N@@H+]2CCN3C(=O)COC[C@H]3C2)C1 ZINC001208618536 824456729 /nfs/dbraw/zinc/45/67/29/824456729.db2.gz YGUPFXHSRWMLFQ-CHWSQXEVSA-N 2 2 267.373 -0.129 20 0 CBADLP C[NH+]1CCC[C@@H](C[N@H+]2CCN3C(=O)COC[C@H]3C2)C1 ZINC001208618536 824456732 /nfs/dbraw/zinc/45/67/32/824456732.db2.gz YGUPFXHSRWMLFQ-CHWSQXEVSA-N 2 2 267.373 -0.129 20 0 CBADLP CN(C)C(=O)C[NH2+][C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001209838026 824476011 /nfs/dbraw/zinc/47/60/11/824476011.db2.gz VPBBPUPYGNMTGK-LLVKDONJSA-N 2 2 293.371 -0.379 20 0 CBADLP [NH3+][C@H](Cc1ccccc1)C[N@@H+]1C[C@@H](O)[C@H](CO)C1 ZINC001209846884 824476274 /nfs/dbraw/zinc/47/62/74/824476274.db2.gz XDNHYPAIAMJYMA-BFHYXJOUSA-N 2 2 250.342 -0.159 20 0 CBADLP [NH3+][C@H](Cc1ccccc1)C[N@H+]1C[C@@H](O)[C@H](CO)C1 ZINC001209846884 824476278 /nfs/dbraw/zinc/47/62/78/824476278.db2.gz XDNHYPAIAMJYMA-BFHYXJOUSA-N 2 2 250.342 -0.159 20 0 CBADLP CC1(C)[NH2+]C[C@@H](C[N@@H+]2CC[C@H](O)[C@@](C)(CO)C2)O1 ZINC001209844455 824476510 /nfs/dbraw/zinc/47/65/10/824476510.db2.gz CNSRFAONMPVMQD-GMXVVIOVSA-N 2 2 258.362 -0.224 20 0 CBADLP CC1(C)[NH2+]C[C@@H](C[N@H+]2CC[C@H](O)[C@@](C)(CO)C2)O1 ZINC001209844455 824476512 /nfs/dbraw/zinc/47/65/12/824476512.db2.gz CNSRFAONMPVMQD-GMXVVIOVSA-N 2 2 258.362 -0.224 20 0 CBADLP CO[C@@H]1C[N@H+](C[C@@H](C)O)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001212201229 824503966 /nfs/dbraw/zinc/50/39/66/824503966.db2.gz WNZAUHIWUMFBIK-IJLUTSLNSA-N 2 2 296.371 -0.462 20 0 CBADLP CO[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001212201229 824503969 /nfs/dbraw/zinc/50/39/69/824503969.db2.gz WNZAUHIWUMFBIK-IJLUTSLNSA-N 2 2 296.371 -0.462 20 0 CBADLP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001215680827 824543244 /nfs/dbraw/zinc/54/32/44/824543244.db2.gz KVSVMJHBAKLQCI-ZYHUDNBSSA-N 2 2 293.371 -0.475 20 0 CBADLP Cc1nnc(CNC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)o1 ZINC001217693912 824558665 /nfs/dbraw/zinc/55/86/65/824558665.db2.gz QUFHBORNNUJPDH-QMMMGPOBSA-N 2 2 250.262 -0.713 20 0 CBADLP Cn1cnc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)c2ncnc1-2 ZINC001218496404 824570075 /nfs/dbraw/zinc/57/00/75/824570075.db2.gz WDSBKIBTTSNPST-QMMMGPOBSA-N 2 2 286.299 -0.454 20 0 CBADLP Cc1cc(C[C@H](C)NC(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)on1 ZINC001218500592 824570190 /nfs/dbraw/zinc/57/01/90/824570190.db2.gz KUKLMRWFONDKNE-DRCTWCGVSA-N 2 2 278.356 -0.018 20 0 CBADLP Cc1cc(C[C@H](C)NC(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)on1 ZINC001218500593 824570720 /nfs/dbraw/zinc/57/07/20/824570720.db2.gz KUKLMRWFONDKNE-NURSFMCSSA-N 2 2 278.356 -0.018 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cccnc1-n1cccn1 ZINC001218501652 824572261 /nfs/dbraw/zinc/57/22/61/824572261.db2.gz KNTMUQUSSNPPJJ-UWVGGRQHSA-N 2 2 272.312 -0.248 20 0 CBADLP CCOC(=O)c1c(C)[nH]nc1NC(=O)[C@@H]([NH3+])CC[NH3+] ZINC001218512036 824577677 /nfs/dbraw/zinc/57/76/77/824577677.db2.gz GFERAKLJZFJGSJ-ZETCQYMHSA-N 2 2 269.305 -0.491 20 0 CBADLP COc1ccc2nc(NC(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])nnc2c1 ZINC001218512825 824578816 /nfs/dbraw/zinc/57/88/16/824578816.db2.gz UEOCLNHZWODUHJ-IUCAKERBSA-N 2 2 288.311 -0.481 20 0 CBADLP COc1nc(Cl)cc(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])n1 ZINC001218517398 824581126 /nfs/dbraw/zinc/58/11/26/824581126.db2.gz HAIAJSNUZGMBKE-WDSKDSINSA-N 2 2 271.708 -0.376 20 0 CBADLP [NH3+][C@@H]1CCc2nc(NC(=O)C3([NH3+])CC[NH2+]CC3)sc2C1 ZINC001218532715 824585154 /nfs/dbraw/zinc/58/51/54/824585154.db2.gz JIVAHFMVGKSTCE-MRVPVSSYSA-N 3 2 295.412 -0.022 20 0 CBADLP COc1cc(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)ncn1 ZINC001218535364 824585632 /nfs/dbraw/zinc/58/56/32/824585632.db2.gz JXRSHCHEMMXCSG-RWYTXXIDSA-N 2 2 263.301 -0.355 20 0 CBADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)Nc2nc3c(s2)C[C@H]([NH3+])CC3)C1 ZINC001218532510 824586191 /nfs/dbraw/zinc/58/61/91/824586191.db2.gz FTBHNFTVJKHLLA-FJXKBIBVSA-N 3 2 281.385 -0.413 20 0 CBADLP [NH3+][C@H]1CCc2nc(NC(=O)[C@@H]3COC[NH2+]3)sc2C1 ZINC001218532704 824586238 /nfs/dbraw/zinc/58/62/38/824586238.db2.gz IZFSWWLAOLYRSK-XPUUQOCRSA-N 2 2 268.342 -0.157 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)n1c(N)csc1=N ZINC001218542640 824588433 /nfs/dbraw/zinc/58/84/33/824588433.db2.gz YSLDCAGILIDDJL-ZETCQYMHSA-N 2 2 266.330 -0.445 20 0 CBADLP CCOC(=O)c1n[nH]cc1NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001218556183 824590751 /nfs/dbraw/zinc/59/07/51/824590751.db2.gz WWPAVZJMAPPPHL-BQBZGAKWSA-N 2 2 267.289 -0.928 20 0 CBADLP O=C(C[NH2+]C1CC[NH2+]CC1)Nc1[nH]nc2nccnc21 ZINC001218568270 824594809 /nfs/dbraw/zinc/59/48/09/824594809.db2.gz GDBGZVGOURZBBS-UHFFFAOYSA-N 2 2 275.316 -0.367 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2cc(OCC3CC3)n[nH]2)C1 ZINC001218578724 824598051 /nfs/dbraw/zinc/59/80/51/824598051.db2.gz MQLGFXSRYRUQPT-BDAKNGLRSA-N 2 2 265.317 -0.174 20 0 CBADLP Cc1nc(Cl)ncc1NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001218586041 824598887 /nfs/dbraw/zinc/59/88/87/824598887.db2.gz FDGKZTZPXOLNDZ-BQBZGAKWSA-N 2 2 255.709 -0.076 20 0 CBADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1nc(Cl)nc2[nH]cnc21 ZINC001218587749 824600918 /nfs/dbraw/zinc/60/09/18/824600918.db2.gz NAABCEGOKNOQHB-BYPYZUCNSA-N 2 2 269.696 -0.379 20 0 CBADLP N=c1ccc(F)c(N)n1C(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001218604824 824601517 /nfs/dbraw/zinc/60/15/17/824601517.db2.gz WHFQUYGZJSHIDZ-UHFFFAOYSA-N 2 2 267.308 -0.329 20 0 CBADLP N=c1ccc(F)c(N)n1C(=O)C1([NH3+])CC[NH2+]CC1 ZINC001218603369 824602382 /nfs/dbraw/zinc/60/23/82/824602382.db2.gz CHPZOIQNLZPDMK-UHFFFAOYSA-N 2 2 253.281 -0.590 20 0 CBADLP Cn1ncc2cc(NC(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)cnc21 ZINC001218614600 824603564 /nfs/dbraw/zinc/60/35/64/824603564.db2.gz FPCGHSPFKANXIB-SCZZXKLOSA-N 2 2 260.301 -0.404 20 0 CBADLP COC(=O)Cn1cc(NC(=O)C[NH2+]C2CC[NH2+]CC2)cn1 ZINC001218609143 824603570 /nfs/dbraw/zinc/60/35/70/824603570.db2.gz BARBBOGLXQJEFR-UHFFFAOYSA-N 2 2 295.343 -0.664 20 0 CBADLP O=C(Nc1cc[nH+]c2c1CCC2)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001218620281 824605539 /nfs/dbraw/zinc/60/55/39/824605539.db2.gz JYWWDYVNRMARPJ-BONVTDFDSA-N 2 2 272.352 -0.118 20 0 CBADLP COC(=O)c1onc(C)c1NC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001218635479 824610611 /nfs/dbraw/zinc/61/06/11/824610611.db2.gz FEWCALSVIYWPFT-UHFFFAOYSA-N 2 2 282.300 -0.211 20 0 CBADLP [NH3+]CCSC[C@H]([NH3+])C(=O)Nc1cc(=O)[nH]c(Cl)n1 ZINC001218647200 824613466 /nfs/dbraw/zinc/61/34/66/824613466.db2.gz HPACEDURZVGMAU-YFKPBYRVSA-N 2 2 291.764 -0.207 20 0 CBADLP CCOC(=O)c1cc(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])c[nH]1 ZINC001218649984 824615860 /nfs/dbraw/zinc/61/58/60/824615860.db2.gz PIVLOGMYHOULCT-IUCAKERBSA-N 2 2 266.301 -0.323 20 0 CBADLP COc1ncnc(NC(=O)C2([NH3+])CC[NH2+]CC2)c1OC ZINC001218653636 824617352 /nfs/dbraw/zinc/61/73/52/824617352.db2.gz WQFRVFKSEPEQOG-UHFFFAOYSA-N 2 2 281.316 -0.487 20 0 CBADLP Nc1cnc(Cl)c(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)n1 ZINC001218673771 824619408 /nfs/dbraw/zinc/61/94/08/824619408.db2.gz DTSFKKDWYDEAEK-VCGAMNKESA-N 2 2 282.735 -0.128 20 0 CBADLP CCOC(=O)c1ncncc1NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001218679871 824621134 /nfs/dbraw/zinc/62/11/34/824621134.db2.gz ZRGPVAKNDQLEPE-SFYZADRCSA-N 2 2 279.300 -0.719 20 0 CBADLP CCOC(=O)c1ncncc1NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001218679448 824621294 /nfs/dbraw/zinc/62/12/94/824621294.db2.gz RQMBQSPINAVWHP-YUMQZZPRSA-N 2 2 279.300 -0.862 20 0 CBADLP Cc1nc2[nH]cnc2c(NC(=O)C2([NH3+])CC[NH2+]CC2)n1 ZINC001218699355 824623228 /nfs/dbraw/zinc/62/32/28/824623228.db2.gz IYJXJYDPCSZMBN-UHFFFAOYSA-N 2 2 275.316 -0.319 20 0 CBADLP Cc1ncn(C)c1NC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001218698506 824623448 /nfs/dbraw/zinc/62/34/48/824623448.db2.gz URNRZGKBLGYNGY-JTQLQIEISA-N 2 2 262.317 -0.029 20 0 CBADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1ncccc1CN1CCOCC1 ZINC001218698323 824623921 /nfs/dbraw/zinc/62/39/21/824623921.db2.gz IKFVWTALVVYDOV-LBPRGKRZSA-N 2 2 293.371 -0.472 20 0 CBADLP COCn1cc(NC(=O)C[NH2+]C2CC[NH2+]CC2)cn1 ZINC001218701786 824625099 /nfs/dbraw/zinc/62/50/99/824625099.db2.gz ZCFQZXUNVWAXDU-UHFFFAOYSA-N 2 2 267.333 -0.233 20 0 CBADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)Nc1ccc[nH]1 ZINC001218716674 824627765 /nfs/dbraw/zinc/62/77/65/824627765.db2.gz ZKNKMQBZCSDIAO-JTQLQIEISA-N 2 2 251.334 -0.296 20 0 CBADLP CCN=c1ccc(N)cn1C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001218740033 824630739 /nfs/dbraw/zinc/63/07/39/824630739.db2.gz NYQXWDVIWQTGTI-LBPRGKRZSA-N 2 2 288.355 -0.065 20 0 CBADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC001218741687 824631901 /nfs/dbraw/zinc/63/19/01/824631901.db2.gz PSDJMAAVHJHDSK-JTQLQIEISA-N 3 2 260.301 -0.118 20 0 CBADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1cncc(N2CCOCC2)c1 ZINC001218746786 824633058 /nfs/dbraw/zinc/63/30/58/824633058.db2.gz PLWSPVLCTOOTGX-LBPRGKRZSA-N 2 2 279.344 -0.467 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2cncc(N3CCOCC3)c2)C1 ZINC001218747202 824633265 /nfs/dbraw/zinc/63/32/65/824633265.db2.gz WTWFMVCHOGCAGD-MFKMUULPSA-N 2 2 291.355 -0.454 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cncnc1C(F)(F)F ZINC001218763038 824634490 /nfs/dbraw/zinc/63/44/90/824634490.db2.gz GLGBRMUDSFSEBM-WDSKDSINSA-N 2 2 275.234 -0.019 20 0 CBADLP CCOC(=O)c1ncc(NC(=O)C2([NH3+])CC[NH2+]CC2)cn1 ZINC001218756520 824634904 /nfs/dbraw/zinc/63/49/04/824634904.db2.gz CCSIEDNAAQUBHH-UHFFFAOYSA-N 2 2 293.327 -0.327 20 0 CBADLP Nc1nc(Cl)ccc1NC(=O)[C@@H]1C[C@H]([NH3+])C[NH2+]1 ZINC001218766006 824635925 /nfs/dbraw/zinc/63/59/25/824635925.db2.gz GCPRBSPBXGPBND-FSPLSTOPSA-N 2 2 255.709 -0.055 20 0 CBADLP O=C(Nc1ccn2cc[nH+]c2c1)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001218788613 824637315 /nfs/dbraw/zinc/63/73/15/824637315.db2.gz WPLMJCSTMXYHBT-LLVKDONJSA-N 2 2 287.323 -0.397 20 0 CBADLP O=C(Nc1ccn2cc[nH+]c2c1)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001218788616 824639314 /nfs/dbraw/zinc/63/93/14/824639314.db2.gz WPLMJCSTMXYHBT-NSHDSACASA-N 2 2 287.323 -0.397 20 0 CBADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ncccc1CCO ZINC001218790758 824639451 /nfs/dbraw/zinc/63/94/51/824639451.db2.gz RZIKIUXIUYBKAA-NSHDSACASA-N 2 2 275.312 -0.152 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc(-n2ccnn2)cc1 ZINC001218821746 824642139 /nfs/dbraw/zinc/64/21/39/824642139.db2.gz GNNUGOHGGIQSNF-RYUDHWBXSA-N 2 2 272.312 -0.248 20 0 CBADLP Cc1ccc2c(c1NC(=O)[C@@H]([NH3+])CC[NH3+])CNC2=O ZINC001218820271 824642149 /nfs/dbraw/zinc/64/21/49/824642149.db2.gz SPIRDCIWJCLSPC-JTQLQIEISA-N 2 2 262.313 -0.147 20 0 CBADLP Cn1nnc2cc(NC(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])ccc21 ZINC001218881633 824645519 /nfs/dbraw/zinc/64/55/19/824645519.db2.gz YXVQFLHUOWOHJP-IUCAKERBSA-N 2 2 260.301 -0.547 20 0 CBADLP Cc1ccc(C(N)=O)cc1NC(=O)[C@@H]([NH3+])CC[NH3+] ZINC001218913580 824646853 /nfs/dbraw/zinc/64/68/53/824646853.db2.gz MTAAUCGKDJCXLA-VIFPVBQESA-N 2 2 250.302 -0.291 20 0 CBADLP Cc1ccc(C(N)=O)cc1NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001218912884 824646806 /nfs/dbraw/zinc/64/68/06/824646806.db2.gz GDFVYYYQGHXEMQ-KOLCDFICSA-N 2 2 262.313 -0.278 20 0 CBADLP Nc1ccc(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])c(CCO)c1 ZINC001218919028 824646982 /nfs/dbraw/zinc/64/69/82/824646982.db2.gz KSRIPYLRUAOLLY-QWRGUYRKSA-N 2 2 264.329 -0.711 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc(C2=NCCO2)cc1 ZINC001218929279 824649010 /nfs/dbraw/zinc/64/90/10/824649010.db2.gz OAGNATQSNDGORU-RYUDHWBXSA-N 2 2 274.324 -0.051 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2ccc3c(c2)[nH]c(=O)[nH]c3=O)C1 ZINC001218990493 824652766 /nfs/dbraw/zinc/65/27/66/824652766.db2.gz JLIOOPRQBMUJKN-LDWIPMOCSA-N 2 2 289.295 -0.331 20 0 CBADLP COC(=O)c1c2n[nH]cc2ccc1NC(=O)[C@@H]([NH3+])CC[NH3+] ZINC001218989139 824653005 /nfs/dbraw/zinc/65/30/05/824653005.db2.gz PUSDHMSSYJPYJY-QMMMGPOBSA-N 2 2 291.311 -0.036 20 0 CBADLP COC(=O)c1c2[nH]ncc2ccc1NC(=O)[C@@H]([NH3+])CC[NH3+] ZINC001218989139 824653008 /nfs/dbraw/zinc/65/30/08/824653008.db2.gz PUSDHMSSYJPYJY-QMMMGPOBSA-N 2 2 291.311 -0.036 20 0 CBADLP CN1CCc2cc(NC(=O)[C@@H]([NH3+])CC[NH3+])ccc2C1=O ZINC001219369281 824698588 /nfs/dbraw/zinc/69/85/88/824698588.db2.gz BVEOFKHOBRWBRI-LBPRGKRZSA-N 2 2 276.340 -0.071 20 0 CBADLP CCOC(=O)c1cc(N)cc(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])c1 ZINC001219524864 824720793 /nfs/dbraw/zinc/72/07/93/824720793.db2.gz YAPTVOWHOMGCOH-RYUDHWBXSA-N 2 2 292.339 -0.069 20 0 CBADLP CC(C)OCCNC(=O)[C@@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001219559566 824729779 /nfs/dbraw/zinc/72/97/79/824729779.db2.gz BUUBHCVCCQKELB-LBPRGKRZSA-N 2 2 272.393 -0.722 20 0 CBADLP Cc1cccnc1CNC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001219563712 824730776 /nfs/dbraw/zinc/73/07/76/824730776.db2.gz JAAGKKWCZOALMH-SMDDNHRTSA-N 2 2 260.341 -0.042 20 0 CBADLP Cc1ccnc(CNC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)n1 ZINC001219600150 824740473 /nfs/dbraw/zinc/74/04/73/824740473.db2.gz JQPAIIKXUIFTCR-SNVBAGLBSA-N 2 2 260.301 -0.306 20 0 CBADLP Cc1ccnc(CNC(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)n1 ZINC001219600385 824741606 /nfs/dbraw/zinc/74/16/06/824741606.db2.gz RQIMBZAAMMYTMU-ZWNOBZJWSA-N 2 2 261.329 -0.647 20 0 CBADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H](O)c1ccco1 ZINC001219603604 824741957 /nfs/dbraw/zinc/74/19/57/824741957.db2.gz ALJZJCXWFXOEHV-NXEZZACHSA-N 2 2 264.285 -0.278 20 0 CBADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H](O)c1ccco1 ZINC001219603607 824742108 /nfs/dbraw/zinc/74/21/08/824742108.db2.gz ALJZJCXWFXOEHV-ZJUUUORDSA-N 2 2 264.285 -0.278 20 0 CBADLP O=C(NC[C@H](O)c1ccco1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001219604442 824850637 /nfs/dbraw/zinc/85/06/37/824850637.db2.gz OSEHLSGRHZLSFK-NRUUGDAUSA-N 2 2 265.313 -0.619 20 0 CBADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)NC[C@H](O)c1ccco1 ZINC001219604746 824850845 /nfs/dbraw/zinc/85/08/45/824850845.db2.gz YIYMCIJXTGDUCW-RYUDHWBXSA-N 2 2 296.371 -0.820 20 0 CBADLP Cn1c[nH+]c(CCNC(=O)[C@@]2(N)CCC[NH2+]C2)c1 ZINC001219633674 824865985 /nfs/dbraw/zinc/86/59/85/824865985.db2.gz BKIVPXXDXAUBBH-GFCCVEGCSA-N 2 2 251.334 -0.840 20 0 CBADLP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)C1 ZINC001219638893 824868134 /nfs/dbraw/zinc/86/81/34/824868134.db2.gz RIPOGFZQGXMQEV-NHCYSSNCSA-N 3 2 265.361 -0.359 20 0 CBADLP C[C@H]1OCC[C@H]1CNC(=O)[C@@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001219636348 824868386 /nfs/dbraw/zinc/86/83/86/824868386.db2.gz ZHWVGALQZSDJBQ-MDZLAQPJSA-N 2 2 284.404 -0.722 20 0 CBADLP Cn1c[nH+]c(CCNC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)c1 ZINC001219634262 824868501 /nfs/dbraw/zinc/86/85/01/824868501.db2.gz QVAASLVQSJPMFK-GFCCVEGCSA-N 3 2 265.361 -0.594 20 0 CBADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001219636033 824868766 /nfs/dbraw/zinc/86/87/66/824868766.db2.gz UWCRKMRSHDMKKX-OYNCUSHFSA-N 3 2 255.297 -0.904 20 0 CBADLP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)C1 ZINC001219640871 824869690 /nfs/dbraw/zinc/86/96/90/824869690.db2.gz CMIUTWXUVXLVAZ-GVXVVHGQSA-N 3 2 279.388 -0.348 20 0 CBADLP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@@H](CO)n2cc[nH+]c2)C1 ZINC001219640911 824869812 /nfs/dbraw/zinc/86/98/12/824869812.db2.gz DCCPGRSEPWRDJT-QJPTWQEYSA-N 2 2 266.345 -0.222 20 0 CBADLP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)C1 ZINC001219641155 824870131 /nfs/dbraw/zinc/87/01/31/824870131.db2.gz GBIQAMQGLKRTSA-KSFQGOMNSA-N 3 2 266.389 -0.430 20 0 CBADLP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)C1 ZINC001219641870 824870399 /nfs/dbraw/zinc/87/03/99/824870399.db2.gz MHGKWTSAOFDAGQ-FMCLSXCISA-N 3 2 266.389 -0.700 20 0 CBADLP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@H](N)C[NH+]2CCC([NH3+])CC2)C1 ZINC001219648997 824873789 /nfs/dbraw/zinc/87/37/89/824873789.db2.gz CZQMDVGJSZIKCA-OUCADQQQSA-N 3 2 297.447 -0.901 20 0 CBADLP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)c2cnc3n2CC[NH2+]C3)C1 ZINC001219664256 824876798 /nfs/dbraw/zinc/87/67/98/824876798.db2.gz WZKZSWYUYYVVSO-QWRGUYRKSA-N 2 2 277.372 -0.038 20 0 CBADLP C[C@@H]1C[C@@H](CNC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)C[NH2+]1 ZINC001219683939 824878524 /nfs/dbraw/zinc/87/85/24/824878524.db2.gz HMQXWEBVTXKXCV-CJJWORHMSA-N 3 2 252.362 -0.678 20 0 CBADLP C[C@@H]1C[C@@H](CNC(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)C[NH2+]1 ZINC001219683768 824878536 /nfs/dbraw/zinc/87/85/36/824878536.db2.gz DRLQHSONASUYKT-FOGDFJRCSA-N 3 2 265.361 -0.596 20 0 CBADLP CCOC(=O)CCNC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001219690951 824879294 /nfs/dbraw/zinc/87/92/94/824879294.db2.gz GEHAEBYWISHYNB-LNLATYFQSA-N 2 2 255.318 -0.722 20 0 CBADLP CCOC(=O)CCNC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001219691317 824879554 /nfs/dbraw/zinc/87/95/54/824879554.db2.gz NKMRFXJUXMQJBB-CABZTGNLSA-N 2 2 255.318 -0.993 20 0 CBADLP C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]([NH3+])C2CCC(O)CC2)C1 ZINC001219694461 824880797 /nfs/dbraw/zinc/88/07/97/824880797.db2.gz JBQCUIGPHIROIF-TUUUFIMRSA-N 2 2 285.388 -0.688 20 0 CBADLP C[N@H+]1CCO[C@H](CNC(=O)[C@@H]([NH3+])C2CCC(O)CC2)C1 ZINC001219694461 824880804 /nfs/dbraw/zinc/88/08/04/824880804.db2.gz JBQCUIGPHIROIF-TUUUFIMRSA-N 2 2 285.388 -0.688 20 0 CBADLP CN(C(=O)CCNC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2)C1CC1 ZINC001219693519 824881516 /nfs/dbraw/zinc/88/15/16/824881516.db2.gz ZKIDRCKDFLJRAM-GYSYKLTISA-N 2 2 280.372 -0.665 20 0 CBADLP Cn1cccc1CNC(=O)[C@@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001219698951 824882934 /nfs/dbraw/zinc/88/29/34/824882934.db2.gz KWDLXNUHOUAYSS-ZDUSSCGKSA-N 2 2 279.388 -0.608 20 0 CBADLP Nc1nc(=O)[nH]cc1NC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001219701320 824883379 /nfs/dbraw/zinc/88/33/79/824883379.db2.gz LBVXHHDQLMBCCY-VIFPVBQESA-N 2 2 288.311 -0.025 20 0 CBADLP O=C(NC[C@]1(F)CCC[NH2+]C1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001219768416 824891659 /nfs/dbraw/zinc/89/16/59/824891659.db2.gz MMHXHGFIGFPXNK-WCFLWFBJSA-N 3 2 270.352 -0.854 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NC1CC2(C1)CC[NH2+]CC2 ZINC001219777193 824893799 /nfs/dbraw/zinc/89/37/99/824893799.db2.gz BVBAHLUAYQVMJP-QWRGUYRKSA-N 3 2 252.362 -0.819 20 0 CBADLP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[NH+](CCF)C[C@@H]1O ZINC001219829685 824900018 /nfs/dbraw/zinc/90/00/18/824900018.db2.gz BENLFULGXAXSGY-UPJWGTAASA-N 2 2 287.379 -0.008 20 0 CBADLP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[NH+](CCF)C[C@@H]1O ZINC001219829685 824900024 /nfs/dbraw/zinc/90/00/24/824900024.db2.gz BENLFULGXAXSGY-UPJWGTAASA-N 2 2 287.379 -0.008 20 0 CBADLP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[N@H+](CCF)C[C@@H]1O ZINC001219829685 824900027 /nfs/dbraw/zinc/90/00/27/824900027.db2.gz BENLFULGXAXSGY-UPJWGTAASA-N 2 2 287.379 -0.008 20 0 CBADLP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001219829685 824900030 /nfs/dbraw/zinc/90/00/30/824900030.db2.gz BENLFULGXAXSGY-UPJWGTAASA-N 2 2 287.379 -0.008 20 0 CBADLP O=C(N[C@@H]1C[NH2+]Cc2ccsc21)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001219823270 824900427 /nfs/dbraw/zinc/90/04/27/824900427.db2.gz OJXIUMWDVHXBAN-GYSYKLTISA-N 3 2 292.408 -0.040 20 0 CBADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)N[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)cc1 ZINC001219856762 824903027 /nfs/dbraw/zinc/90/30/27/824903027.db2.gz ZWXACVCKDHBJCF-ZOBORPQBSA-N 3 2 290.367 -0.638 20 0 CBADLP CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@@H](O)C1 ZINC001219879135 824908390 /nfs/dbraw/zinc/90/83/90/824908390.db2.gz CHGAXCABDGXCHL-RDBSUJKOSA-N 2 2 299.415 -0.332 20 0 CBADLP CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@@H](O)C1 ZINC001219879135 824908394 /nfs/dbraw/zinc/90/83/94/824908394.db2.gz CHGAXCABDGXCHL-RDBSUJKOSA-N 2 2 299.415 -0.332 20 0 CBADLP CCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)[C@@H](O)C1 ZINC001219879135 824908397 /nfs/dbraw/zinc/90/83/97/824908397.db2.gz CHGAXCABDGXCHL-RDBSUJKOSA-N 2 2 299.415 -0.332 20 0 CBADLP CCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)[C@@H](O)C1 ZINC001219879135 824908403 /nfs/dbraw/zinc/90/84/03/824908403.db2.gz CHGAXCABDGXCHL-RDBSUJKOSA-N 2 2 299.415 -0.332 20 0 CBADLP CC[C@H](C)[C@@H](CO)NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001219882865 824908808 /nfs/dbraw/zinc/90/88/08/824908808.db2.gz PJHIUXQYJGPRMW-KKJSVHSVSA-N 2 2 255.362 -0.541 20 0 CBADLP Cn1cc2c(n1)[C@H](CNC(=O)C1([NH3+])CC[NH2+]CC1)OCC2 ZINC001219885744 824909189 /nfs/dbraw/zinc/90/91/89/824909189.db2.gz VEVQAKWUNLZJPC-NSHDSACASA-N 2 2 293.371 -0.769 20 0 CBADLP [NH3+]C1(C(=O)N[C@H]2CCc3[nH]c(=O)ccc3C2)CC[NH2+]CC1 ZINC001219891455 824910993 /nfs/dbraw/zinc/91/09/93/824910993.db2.gz URDRZYAXGGQDCP-NSHDSACASA-N 2 2 290.367 -0.158 20 0 CBADLP O=C(N[C@H]1SC(=O)NC1=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001219903746 824912506 /nfs/dbraw/zinc/91/25/06/824912506.db2.gz FWCRESKDVKGIAF-XVKPBYJWSA-N 2 2 298.368 -0.714 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NC[C@H]1Cc2ccccc2O1 ZINC001219925475 824916849 /nfs/dbraw/zinc/91/68/49/824916849.db2.gz LQCNLXKUTASQNH-WOPDTQHZSA-N 2 2 261.325 -0.347 20 0 CBADLP Nc1ccccc1CNC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001219925888 824917594 /nfs/dbraw/zinc/91/75/94/824917594.db2.gz ZWARMPZAUQKLOT-FZMZJTMJSA-N 2 2 260.341 -0.164 20 0 CBADLP Cc1[nH+]ccn1CCNC(=O)[C@H]([NH3+])Cc1c[nH]cn1 ZINC001219935062 824917864 /nfs/dbraw/zinc/91/78/64/824917864.db2.gz ZIUXRRDAWXZFSX-LLVKDONJSA-N 2 2 262.317 -0.399 20 0 CBADLP Cc1[nH+]ccn1CCNC(=O)[C@H]([NH3+])Cc1cnc[nH]1 ZINC001219935062 824917871 /nfs/dbraw/zinc/91/78/71/824917871.db2.gz ZIUXRRDAWXZFSX-LLVKDONJSA-N 2 2 262.317 -0.399 20 0 CBADLP CS(=O)(=O)N(C(=O)[C@@H]1CC[NH2+]1)c1ccc(C[NH3+])cc1 ZINC001219939127 824918802 /nfs/dbraw/zinc/91/88/02/824918802.db2.gz SCMDZCNICMUNQV-NSHDSACASA-N 2 2 283.353 -0.200 20 0 CBADLP Cc1c[nH]c(CCNC(=O)[C@@H]2CCCN2C(=O)C[NH3+])[nH+]1 ZINC001219951867 824920184 /nfs/dbraw/zinc/92/01/84/824920184.db2.gz FHJJQWARTPPYPI-JTQLQIEISA-N 2 2 279.344 -0.673 20 0 CBADLP Cc1c[nH]c(CCNC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)[nH+]1 ZINC001219951760 824920527 /nfs/dbraw/zinc/92/05/27/824920527.db2.gz AIRWMFLDNHBHSR-JTQLQIEISA-N 3 2 263.345 -0.814 20 0 CBADLP NC(=O)c1ccc(CNC(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)cc1 ZINC001219961534 824922619 /nfs/dbraw/zinc/92/26/19/824922619.db2.gz NVQMBSQZXBMCJS-WFASDCNBSA-N 2 2 288.351 -0.647 20 0 CBADLP CCC[NH+]1CCC(NC(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)CC1 ZINC001219954877 824923199 /nfs/dbraw/zinc/92/31/99/824923199.db2.gz WGSJLOQOLAXPES-WFASDCNBSA-N 3 2 280.416 -0.072 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H]2CCC[NH2+][C@@H]2C)C[NH2+]1 ZINC001219965286 824923483 /nfs/dbraw/zinc/92/34/83/824923483.db2.gz HUACBLTUKRAKCL-DBIOUOCHSA-N 2 2 269.345 -0.606 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](NC(=O)C[C@@H]2CCC[NH2+]C2)C[NH2+]1 ZINC001219965101 824923739 /nfs/dbraw/zinc/92/37/39/824923739.db2.gz BONFOHLDEAGPKN-AXFHLTTASA-N 2 2 269.345 -0.604 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](NC(=O)c2cnc([C@H](C)[NH3+])s2)C[NH2+]1 ZINC001219967626 824924531 /nfs/dbraw/zinc/92/45/31/824924531.db2.gz CSHUXFKIWXGNSS-RNJXMRFFSA-N 2 2 298.368 -0.204 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H]2CCC[NH2+][C@H]2C)C[NH2+]1 ZINC001219965288 824924628 /nfs/dbraw/zinc/92/46/28/824924628.db2.gz HUACBLTUKRAKCL-ZDCRXTMVSA-N 2 2 269.345 -0.606 20 0 CBADLP NC(=O)c1ccc(CNC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)cc1 ZINC001219961810 824924780 /nfs/dbraw/zinc/92/47/80/824924780.db2.gz XBGWGICMTIMVMG-JMSVASOKSA-N 2 2 288.351 -0.377 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NC[C@H]1CCCCO1 ZINC001219978063 824927052 /nfs/dbraw/zinc/92/70/52/824927052.db2.gz BVKIDINZNIPUDF-NEPJUHHUSA-N 2 2 266.345 -0.025 20 0 CBADLP CN1C[C@@H](NC(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)CCC1=O ZINC001220006935 824932379 /nfs/dbraw/zinc/93/23/79/824932379.db2.gz FPZFNGNADAJFIU-STQMWFEESA-N 2 2 290.367 -0.004 20 0 CBADLP C[NH+]1CC(NC(=O)[C@H]2CCCN([C@@H]3CC[NH2+]C3)C2)C1 ZINC001220013408 824935653 /nfs/dbraw/zinc/93/56/53/824935653.db2.gz USVQRVGTKDYYQQ-WCQYABFASA-N 2 2 266.389 -0.510 20 0 CBADLP CC(C)[C@@](C)(NC(=O)C[NH2+]C1CC[NH2+]CC1)C(N)=O ZINC001220023094 824937942 /nfs/dbraw/zinc/93/79/42/824937942.db2.gz QFVPGHVUAOIEMD-CYBMUJFWSA-N 2 2 270.377 -0.656 20 0 CBADLP N=c1sc2c(n1C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])CC[C@H]([NH3+])C2 ZINC001220025885 824938279 /nfs/dbraw/zinc/93/82/79/824938279.db2.gz ZXILKJKQUDZXNG-FXQIFTODSA-N 3 2 281.385 -0.968 20 0 CBADLP CC(C)(CNC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1)C(N)=O ZINC001220032802 824939825 /nfs/dbraw/zinc/93/98/25/824939825.db2.gz BXDZHIYEZMENBR-NSHDSACASA-N 2 2 278.356 -0.114 20 0 CBADLP COC(=O)C1(NC(=O)C2([NH3+])CC[NH2+]CC2)CCCC1 ZINC001220047662 824943365 /nfs/dbraw/zinc/94/33/65/824943365.db2.gz BGAFBLDTTMRGEW-UHFFFAOYSA-N 2 2 269.345 -0.331 20 0 CBADLP COC(=O)CCCCCNC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001220047701 824944346 /nfs/dbraw/zinc/94/43/46/824944346.db2.gz COXVEDLRJVNYKK-UWVGGRQHSA-N 2 2 257.334 -0.617 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NCc1n[nH]c2ccccc12 ZINC001220046994 824944360 /nfs/dbraw/zinc/94/43/60/824944360.db2.gz MVFJJAGSXICICT-UWVGGRQHSA-N 2 2 259.313 -0.274 20 0 CBADLP C[NH2+]CCNC(=O)c1cc2n(n1)CCC[N@H+](C)C2 ZINC001220062033 824946738 /nfs/dbraw/zinc/94/67/38/824946738.db2.gz KEQFEPPBKCKGBS-UHFFFAOYSA-N 2 2 251.334 -0.332 20 0 CBADLP C[NH2+]CCNC(=O)c1cc2n(n1)CCC[N@@H+](C)C2 ZINC001220062033 824946742 /nfs/dbraw/zinc/94/67/42/824946742.db2.gz KEQFEPPBKCKGBS-UHFFFAOYSA-N 2 2 251.334 -0.332 20 0 CBADLP COCC1(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)CCC1 ZINC001220064122 824949059 /nfs/dbraw/zinc/94/90/59/824949059.db2.gz RRESEELAPVXKQS-JTQLQIEISA-N 2 2 252.318 -0.035 20 0 CBADLP CCOC(=O)C(C)(C)NC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220063935 824949075 /nfs/dbraw/zinc/94/90/75/824949075.db2.gz KFNVVZYJOZYXFU-ZANVPECISA-N 2 2 269.345 -0.604 20 0 CBADLP COCC1(NC(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)CCC1 ZINC001220064086 824949173 /nfs/dbraw/zinc/94/91/73/824949173.db2.gz QKYYZHBYUTUDIJ-MFKMUULPSA-N 2 2 253.346 -0.377 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCc2ccc3c(c2)CCO3)C1 ZINC001220069949 824950293 /nfs/dbraw/zinc/95/02/93/824950293.db2.gz UINJIFNFZPKSIE-NEPJUHHUSA-N 2 2 261.325 -0.073 20 0 CBADLP C[NH2+]CCCCNC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001220077638 824950498 /nfs/dbraw/zinc/95/04/98/824950498.db2.gz QXAABFHMHBUCNQ-NSHDSACASA-N 3 2 253.350 -0.594 20 0 CBADLP CCOC(=O)C(F)(F)CNC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001220096947 824955465 /nfs/dbraw/zinc/95/54/65/824955465.db2.gz NOQSJMBCGJYODZ-UHFFFAOYSA-N 2 2 279.287 -0.618 20 0 CBADLP N=C(NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1)SCC[NH3+] ZINC001220106215 824956155 /nfs/dbraw/zinc/95/61/55/824956155.db2.gz FSAGPYJPYXWHKQ-SSDOTTSWSA-N 3 2 256.335 -0.978 20 0 CBADLP COCCC[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001220105552 824956188 /nfs/dbraw/zinc/95/61/88/824956188.db2.gz AKXBTSBEXQYHLL-OLZOCXBDSA-N 2 2 296.371 -0.529 20 0 CBADLP COCCC[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001220105552 824956194 /nfs/dbraw/zinc/95/61/94/824956194.db2.gz AKXBTSBEXQYHLL-OLZOCXBDSA-N 2 2 296.371 -0.529 20 0 CBADLP CC[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001220105844 824956544 /nfs/dbraw/zinc/95/65/44/824956544.db2.gz NYMBZOAZEMYGDW-MNOVXSKESA-N 2 2 252.318 -0.546 20 0 CBADLP CC[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001220105844 824956542 /nfs/dbraw/zinc/95/65/42/824956542.db2.gz NYMBZOAZEMYGDW-MNOVXSKESA-N 2 2 252.318 -0.546 20 0 CBADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H](O)c1ccc(O)cc1 ZINC001220113222 824958129 /nfs/dbraw/zinc/95/81/29/824958129.db2.gz NRVCSEISQMIAJD-STQMWFEESA-N 2 2 290.323 -0.165 20 0 CBADLP Cc1cnc(=O)[nH]c1NC(=O)[C@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001220124693 824960737 /nfs/dbraw/zinc/96/07/37/824960737.db2.gz HSHXGJZSTHKCEO-SNVBAGLBSA-N 2 2 294.359 -0.820 20 0 CBADLP O=C(NCC1(F)CCOCC1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220136884 824963496 /nfs/dbraw/zinc/96/34/96/824963496.db2.gz KEVMQJHVBMEGNV-GWCFXTLKSA-N 2 2 271.336 -0.427 20 0 CBADLP CS(=O)(=O)[C@H]1C[C@H](NC(=O)C[NH2+]C2CC[NH2+]CC2)C1 ZINC001220138962 824965708 /nfs/dbraw/zinc/96/57/08/824965708.db2.gz LHFYVEYPZWUOKH-XYPYZODXSA-N 2 2 289.401 -0.980 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCCC2CCS(=O)(=O)CC2)C1 ZINC001220141850 824966755 /nfs/dbraw/zinc/96/67/55/824966755.db2.gz ZLENULDPCGTUGG-MNOVXSKESA-N 2 2 289.401 -0.993 20 0 CBADLP CO[C@@H]1COCC[C@H]1NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001220141107 824967160 /nfs/dbraw/zinc/96/71/60/824967160.db2.gz GREZVEAPQOZUQS-CJJWORHMSA-N 2 2 269.345 -0.872 20 0 CBADLP O=C(NCc1cc[nH]c(=O)c1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220147388 824967840 /nfs/dbraw/zinc/96/78/40/824967840.db2.gz FEJYBMWLSYHRFF-GARJFASQSA-N 2 2 262.313 -0.647 20 0 CBADLP O=C(NCc1cc[nH]c(=O)c1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220148414 824969196 /nfs/dbraw/zinc/96/91/96/824969196.db2.gz ZYFZBPIBDWVJAZ-GWCFXTLKSA-N 2 2 262.313 -0.645 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NC(=N)c1nccs1 ZINC001220154215 824970676 /nfs/dbraw/zinc/97/06/76/824970676.db2.gz OSKOHPUXTZTMDC-QMMMGPOBSA-N 2 2 278.341 -0.112 20 0 CBADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)NC2CC(CO)(CO)C2)cc1 ZINC001220152177 824971166 /nfs/dbraw/zinc/97/11/66/824971166.db2.gz XHNFHDCVXKSLFG-CYBMUJFWSA-N 2 2 293.367 -0.492 20 0 CBADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001220158976 824972593 /nfs/dbraw/zinc/97/25/93/824972593.db2.gz KTCTXKOEXIXRAX-NRUUGDAUSA-N 2 2 293.375 -0.892 20 0 CBADLP N=C(NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1)c1ccc(F)cn1 ZINC001220170387 824975661 /nfs/dbraw/zinc/97/56/61/824975661.db2.gz JLMNENPOYOERTO-SECBINFHSA-N 2 2 276.275 -0.045 20 0 CBADLP N=C(NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2)c1ccc(F)cn1 ZINC001220170620 824976334 /nfs/dbraw/zinc/97/63/34/824976334.db2.gz QDZNOIJNSCMYTL-KKFJDGPESA-N 2 2 277.303 -0.116 20 0 CBADLP CCC1(CNC(=O)[C@H](N)C[NH+]2CCC([NH3+])CC2)COC1 ZINC001220170480 824976346 /nfs/dbraw/zinc/97/63/46/824976346.db2.gz LKMCOMITWDBOAH-GFCCVEGCSA-N 2 2 284.404 -0.720 20 0 CBADLP CCC1(CNC(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)COC1 ZINC001220170988 824976392 /nfs/dbraw/zinc/97/63/92/824976392.db2.gz ZXXWKTKNZGYNAI-ZWNOBZJWSA-N 2 2 253.346 -0.519 20 0 CBADLP CCC1(CNC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)COC1 ZINC001220170930 824976725 /nfs/dbraw/zinc/97/67/25/824976725.db2.gz YRFPZAJOQBRVLD-JTQLQIEISA-N 2 2 252.318 -0.178 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NCc1ccn(C)c(=O)c1 ZINC001220179559 824979391 /nfs/dbraw/zinc/97/93/91/824979391.db2.gz NHBYSVSCKUSPKC-LBPRGKRZSA-N 2 2 289.339 -0.695 20 0 CBADLP NC1(C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)CC[NH2+]CC1 ZINC001220186616 824982278 /nfs/dbraw/zinc/98/22/78/824982278.db2.gz SKHSHBXUNLZQFY-VIFPVBQESA-N 2 2 276.331 -0.572 20 0 CBADLP [NH3+]CCC[NH2+]CC(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC001220189066 824982297 /nfs/dbraw/zinc/98/22/97/824982297.db2.gz LBIACAQCHLCDLF-VIFPVBQESA-N 3 2 264.320 -0.714 20 0 CBADLP O=C(C[C@H]1COCC[NH2+]1)NCC1([NH+]2CCCC2)COC1 ZINC001220197796 824984795 /nfs/dbraw/zinc/98/47/95/824984795.db2.gz SARAXVCTLJBNMF-LBPRGKRZSA-N 2 2 283.372 -0.654 20 0 CBADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)NC[C@H]2CNC(=O)C2)cc1 ZINC001220203127 824986064 /nfs/dbraw/zinc/98/60/64/824986064.db2.gz WVCISFXGCOGOAH-BXKDBHETSA-N 2 2 276.340 -0.489 20 0 CBADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)NC[C@@H]2CNC(=O)C2)cc1 ZINC001220203129 824986101 /nfs/dbraw/zinc/98/61/01/824986101.db2.gz WVCISFXGCOGOAH-JOYOIKCWSA-N 2 2 276.340 -0.489 20 0 CBADLP CCOC(CCNC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)OCC ZINC001220230469 824991752 /nfs/dbraw/zinc/99/17/52/824991752.db2.gz JYTPBZYPZXNNSG-SDDRHHMPSA-N 2 2 285.388 -0.158 20 0 CBADLP O=C(NCc1n[nH]c(=O)[nH]1)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220252274 824995852 /nfs/dbraw/zinc/99/58/52/824995852.db2.gz UGWJRJGZGNBARP-MRVPVSSYSA-N 2 2 280.332 -0.999 20 0 CBADLP C[N@@H+]1CCC[C@@H]1CCNC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220252267 824996152 /nfs/dbraw/zinc/99/61/52/824996152.db2.gz UDWCYASKTATQHN-OUCADQQQSA-N 3 2 266.389 -0.462 20 0 CBADLP C[N@H+]1CCC[C@@H]1CCNC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220252267 824996154 /nfs/dbraw/zinc/99/61/54/824996154.db2.gz UDWCYASKTATQHN-OUCADQQQSA-N 3 2 266.389 -0.462 20 0 CBADLP COC(=O)[C@@H]([NH3+])CC(=O)NCC[C@H]1CCC[N@@H+]1C ZINC001220252190 824996291 /nfs/dbraw/zinc/99/62/91/824996291.db2.gz QTTVACKDHUNTFZ-ZJUUUORDSA-N 2 2 257.334 -0.523 20 0 CBADLP COC(=O)[C@@H]([NH3+])CC(=O)NCC[C@H]1CCC[N@H+]1C ZINC001220252190 824996297 /nfs/dbraw/zinc/99/62/97/824996297.db2.gz QTTVACKDHUNTFZ-ZJUUUORDSA-N 2 2 257.334 -0.523 20 0 CBADLP CC1(C)OCC(NC(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)CO1 ZINC001220270698 824999412 /nfs/dbraw/zinc/99/94/12/824999412.db2.gz CNIFISIDXOCDJX-ZANVPECISA-N 2 2 269.345 -0.794 20 0 CBADLP CC1(C)OCC(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)CO1 ZINC001220270883 825000506 /nfs/dbraw/zinc/00/05/06/825000506.db2.gz KUAYWMZMEWZKKN-JTQLQIEISA-N 2 2 268.317 -0.453 20 0 CBADLP CC1(C)OCC(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)CO1 ZINC001220270891 825001886 /nfs/dbraw/zinc/00/18/86/825001886.db2.gz LDAHVBGNWFENJF-BREBYQMCSA-N 2 2 269.345 -0.524 20 0 CBADLP Cn1cc(CCNC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)cn1 ZINC001220277016 825002655 /nfs/dbraw/zinc/00/26/55/825002655.db2.gz XGICZLLMNBFBKP-NSHDSACASA-N 2 2 262.317 -0.628 20 0 CBADLP NC(=O)CCNC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001220277127 825004107 /nfs/dbraw/zinc/00/41/07/825004107.db2.gz YQDUPTBXJPWNEH-JTQLQIEISA-N 2 2 250.302 -0.750 20 0 CBADLP O=C(NCCc1cn2ccccc2n1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220278625 825004979 /nfs/dbraw/zinc/00/49/79/825004979.db2.gz YTZHFWHSDGAOIM-LRDDRELGSA-N 2 2 299.378 -0.056 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NCc1cc(F)cc2c1OCOC2 ZINC001220294093 825007063 /nfs/dbraw/zinc/00/70/63/825007063.db2.gz FRXJWPLERMBIMM-RYUDHWBXSA-N 2 2 295.314 -0.145 20 0 CBADLP O=C(N[C@@H](CO)Cc1c[nH]c[nH+]1)[C@@H]1CCCC[NH2+]1 ZINC001220291030 825007533 /nfs/dbraw/zinc/00/75/33/825007533.db2.gz KFXIQQWUDRICHK-MNOVXSKESA-N 2 2 252.318 -0.429 20 0 CBADLP O=C(N[C@@H](CO)Cc1c[nH+]c[nH]1)[C@@H]1CCCC[NH2+]1 ZINC001220291030 825007536 /nfs/dbraw/zinc/00/75/36/825007536.db2.gz KFXIQQWUDRICHK-MNOVXSKESA-N 2 2 252.318 -0.429 20 0 CBADLP C[C@H](NC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2)c1cnn(C)c1 ZINC001220308238 825009959 /nfs/dbraw/zinc/00/99/59/825009959.db2.gz HRMMNUJNOFYVDL-NDMJEZRESA-N 2 2 263.345 -0.451 20 0 CBADLP C[C@H](NC(=O)C1([NH3+])CC[NH2+]CC1)c1cnn(C)c1 ZINC001220308701 825011849 /nfs/dbraw/zinc/01/18/49/825011849.db2.gz OHNSCAQKYIWDHY-VIFPVBQESA-N 2 2 251.334 -0.322 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCc2cccc3n[nH]cc32)C1 ZINC001220308600 825012643 /nfs/dbraw/zinc/01/26/43/825012643.db2.gz MQUMTIPWZJATSD-SKDRFNHKSA-N 2 2 259.313 -0.132 20 0 CBADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220316890 825014256 /nfs/dbraw/zinc/01/42/56/825014256.db2.gz UMJBYDSKNMAEMN-DYEKYZERSA-N 3 2 293.371 -0.693 20 0 CBADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CC12CCOCC2 ZINC001220329243 825016733 /nfs/dbraw/zinc/01/67/33/825016733.db2.gz KBNLILFZJGLKHK-QWRGUYRKSA-N 2 2 264.329 -0.035 20 0 CBADLP COc1ccc(CNC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)nn1 ZINC001220342908 825018305 /nfs/dbraw/zinc/01/83/05/825018305.db2.gz ALYUWFJWIFRMQU-SNVBAGLBSA-N 2 2 276.300 -0.606 20 0 CBADLP COc1ccc(CNC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)nn1 ZINC001220343113 825019793 /nfs/dbraw/zinc/01/97/93/825019793.db2.gz FGBMVWMVMONHQZ-INTQDDNPSA-N 2 2 277.328 -0.949 20 0 CBADLP CCOC(=O)C1(CNC(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)CCC1 ZINC001220371531 825020841 /nfs/dbraw/zinc/02/08/41/825020841.db2.gz VOQDLUHOIFXSRO-NHYWBVRUSA-N 2 2 295.383 -0.213 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCc2ccc(Cl)nn2)C1 ZINC001220368559 825021419 /nfs/dbraw/zinc/02/14/19/825021419.db2.gz HWFQMUXFCQDNHI-SVRRBLITSA-N 2 2 255.709 -0.565 20 0 CBADLP COC(=O)c1n[nH]cc1NC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001220373404 825023139 /nfs/dbraw/zinc/02/31/39/825023139.db2.gz MIWRBGYYFQNRCY-QMMMGPOBSA-N 2 2 292.299 -0.562 20 0 CBADLP [NH3+]C1(C(=O)NCc2ncccc2O)CC[NH2+]CC1 ZINC001220389887 825026436 /nfs/dbraw/zinc/02/64/36/825026436.db2.gz GEPJDBNRWARZHM-UHFFFAOYSA-N 2 2 250.302 -0.516 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NCCc1c[nH]c2cccnc12 ZINC001220386462 825027046 /nfs/dbraw/zinc/02/70/46/825027046.db2.gz UZVKEFPXOHTKCE-QWRGUYRKSA-N 2 2 273.340 -0.232 20 0 CBADLP COC(=O)[C@@H]([NH3+])CC(=O)NC(C)(C)CC[NH+](C)C ZINC001220386441 825027216 /nfs/dbraw/zinc/02/72/16/825027216.db2.gz TYNQTILHWSYZPA-VIFPVBQESA-N 2 2 259.350 -0.277 20 0 CBADLP COc1ccc(CCNC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])nc1 ZINC001220396980 825030894 /nfs/dbraw/zinc/03/08/94/825030894.db2.gz TVFHZJBETVKQHE-RYUDHWBXSA-N 2 2 264.329 -0.704 20 0 CBADLP COC(=O)[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)C1 ZINC001220405841 825031841 /nfs/dbraw/zinc/03/18/41/825031841.db2.gz DVVRVXOPLGQRRL-JXUBOQSCSA-N 2 2 255.318 -0.867 20 0 CBADLP CNOCCNC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001220403659 825031977 /nfs/dbraw/zinc/03/19/77/825031977.db2.gz YWWQGANRHWKYQH-NSHDSACASA-N 2 2 252.318 -0.474 20 0 CBADLP COC(=O)[C@H]1CC[C@@H](NC(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)C1 ZINC001220405830 825032052 /nfs/dbraw/zinc/03/20/52/825032052.db2.gz DQPVWJJPYILOGK-UMNHJUIQSA-N 2 2 294.355 -0.252 20 0 CBADLP CNOCCNC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001220403658 825032238 /nfs/dbraw/zinc/03/22/38/825032238.db2.gz YWWQGANRHWKYQH-LLVKDONJSA-N 2 2 252.318 -0.474 20 0 CBADLP COC(=O)[C@@H]1CC[C@@H](NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)C1 ZINC001220406988 825032795 /nfs/dbraw/zinc/03/27/95/825032795.db2.gz ZROMIYDYZNBCKU-KKZNHRDASA-N 2 2 280.328 -0.263 20 0 CBADLP O=C(NCc1ccc2nn[nH]c2c1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220426592 825036880 /nfs/dbraw/zinc/03/68/80/825036880.db2.gz KFTIWLDHFZDMOH-SNVBAGLBSA-N 2 2 286.339 -0.617 20 0 CBADLP O=C(CNC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2)Cc1ccccc1 ZINC001220462669 825044823 /nfs/dbraw/zinc/04/48/23/825044823.db2.gz KFKDRKUVKOVWIN-CJNGLKHVSA-N 2 2 287.363 -0.134 20 0 CBADLP O=C(NC[C@H](O)C1CCCCC1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220467434 825046318 /nfs/dbraw/zinc/04/63/18/825046318.db2.gz WQCWIAKCZJEGQN-FQUUOJAGSA-N 2 2 281.400 -0.006 20 0 CBADLP Cc1[nH][nH]c(=O)c1CCNC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001220492115 825048069 /nfs/dbraw/zinc/04/80/69/825048069.db2.gz IINJGDIMOSGARE-UHFFFAOYSA-N 2 2 267.333 -0.837 20 0 CBADLP COC(C)(CNC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2)OC ZINC001220509079 825051493 /nfs/dbraw/zinc/05/14/93/825051493.db2.gz JVXJFYFBJIXLSX-CABZTGNLSA-N 2 2 257.334 -0.937 20 0 CBADLP O=C(NCC[NH+]1CC2(COC2)C1)[C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1 ZINC001220570816 825064752 /nfs/dbraw/zinc/06/47/52/825064752.db2.gz ASFTVMCEUIQNOU-RWMBFGLXSA-N 2 2 295.383 -0.798 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NCCCC(C)(C)O ZINC001220573696 825068403 /nfs/dbraw/zinc/06/84/03/825068403.db2.gz UDSLMAWRNAWSNK-NSHDSACASA-N 2 2 268.361 -0.043 20 0 CBADLP COC(=O)[C@@H](NC(=O)C1([NH3+])CC[NH2+]CC1)C(F)(F)F ZINC001220587359 825071779 /nfs/dbraw/zinc/07/17/79/825071779.db2.gz BBKZHCUAXTWNOB-ZCFIWIBFSA-N 2 2 283.250 -0.713 20 0 CBADLP C[C@@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])c1ncc(F)cn1 ZINC001220599566 825074800 /nfs/dbraw/zinc/07/48/00/825074800.db2.gz XYMPNQZJNRSKPW-YEPSODPASA-N 2 2 253.281 -0.660 20 0 CBADLP Cn1nc(CNC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])c2ccccc21 ZINC001220634284 825076952 /nfs/dbraw/zinc/07/69/52/825076952.db2.gz KLNCKIRBRYWRDB-QWRGUYRKSA-N 2 2 273.340 -0.264 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N[C@H]1NC(=O)c2ccccc21 ZINC001220620239 825077449 /nfs/dbraw/zinc/07/74/49/825077449.db2.gz QYNDHXLHWROHPD-QWHCGFSZSA-N 2 2 299.334 -0.152 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N[C@H]1NC(=O)c2ccccc21 ZINC001220620543 825077805 /nfs/dbraw/zinc/07/78/05/825077805.db2.gz XZWVBTYRXZKHEC-GARJFASQSA-N 2 2 260.297 -0.909 20 0 CBADLP CCOC(=O)[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001220660230 825080750 /nfs/dbraw/zinc/08/07/50/825080750.db2.gz CUCBQZGBBDSCMB-ZNSHCXBVSA-N 2 2 269.345 -0.476 20 0 CBADLP CC(C)(CC(=O)N1CCCC1)NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001220687143 825086722 /nfs/dbraw/zinc/08/67/22/825086722.db2.gz GOIWNWJBAHVDRC-MNOVXSKESA-N 2 2 282.388 -0.417 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1cccnc1C[NH3+] ZINC001220710763 825091884 /nfs/dbraw/zinc/09/18/84/825091884.db2.gz AYGWABUGMKRCFN-JTQLQIEISA-N 3 2 274.328 -0.218 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001220725235 825092713 /nfs/dbraw/zinc/09/27/13/825092713.db2.gz OQPQMKFAOFXUKC-DGCLKSJQSA-N 3 2 284.404 -0.850 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001220725235 825092714 /nfs/dbraw/zinc/09/27/14/825092714.db2.gz OQPQMKFAOFXUKC-DGCLKSJQSA-N 3 2 284.404 -0.850 20 0 CBADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)C2 ZINC001220716768 825093005 /nfs/dbraw/zinc/09/30/05/825093005.db2.gz RAQKXRKZTSTDCZ-KVSVUVNWSA-N 3 2 266.389 -0.193 20 0 CBADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)C2 ZINC001220716768 825093010 /nfs/dbraw/zinc/09/30/10/825093010.db2.gz RAQKXRKZTSTDCZ-KVSVUVNWSA-N 3 2 266.389 -0.193 20 0 CBADLP COC(CCCNC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2)OC ZINC001220741723 825095730 /nfs/dbraw/zinc/09/57/30/825095730.db2.gz QRQNODJLKQWOFH-ZWNOBZJWSA-N 2 2 271.361 -0.547 20 0 CBADLP COC(CCCNC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)OC ZINC001220741817 825095976 /nfs/dbraw/zinc/09/59/76/825095976.db2.gz RUVZUCWPQRTIKK-JTQLQIEISA-N 2 2 270.333 -0.205 20 0 CBADLP CC1(C)[C@H](O)C[C@@H]1NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220766186 825099523 /nfs/dbraw/zinc/09/95/23/825099523.db2.gz NGSJIMZFKVJEDJ-KXUCPTDWSA-N 2 2 252.318 -0.445 20 0 CBADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)C1([NH3+])CC1 ZINC001220768967 825100060 /nfs/dbraw/zinc/10/00/60/825100060.db2.gz FUONRQTWWTZERB-SECBINFHSA-N 2 2 266.301 -0.888 20 0 CBADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)[C@@]1(C)CCC[NH2+]1 ZINC001220771819 825100947 /nfs/dbraw/zinc/10/09/47/825100947.db2.gz DXXXDMDEEHPFJW-BXUZGUMPSA-N 2 2 294.355 -0.238 20 0 CBADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)[C@]1(C)CC[NH2+]C1 ZINC001220772936 825101455 /nfs/dbraw/zinc/10/14/55/825101455.db2.gz WFKSZUHNRWQIKA-BXUZGUMPSA-N 2 2 294.355 -0.380 20 0 CBADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)NC[C@H]2CC[NH2+][C@@H]2c2cccnc2)C1 ZINC001220788595 825102793 /nfs/dbraw/zinc/10/27/93/825102793.db2.gz FHEMOSDFFAZQHA-ZOBORPQBSA-N 3 2 289.383 -0.462 20 0 CBADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCN1CCC(F)(F)C1 ZINC001220808736 825105983 /nfs/dbraw/zinc/10/59/83/825105983.db2.gz VWGMZTIMHPRGTQ-JTQLQIEISA-N 2 2 287.314 -0.263 20 0 CBADLP CCOC(=O)[C@@H](C)CNC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001220849334 825112013 /nfs/dbraw/zinc/11/20/13/825112013.db2.gz ZGQWWOVYOSPAHZ-VIFPVBQESA-N 2 2 257.334 -0.617 20 0 CBADLP O=C(NCCO[C@@H]1CCCCO1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220862081 825113825 /nfs/dbraw/zinc/11/38/25/825113825.db2.gz OOBJXMOXVXXRKZ-BZPMIXESSA-N 2 2 283.372 -0.403 20 0 CBADLP [NH3+]Cc1ccccc1CNC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220855099 825114117 /nfs/dbraw/zinc/11/41/17/825114117.db2.gz LXVOXAPXAOWTOR-DZGCQCFKSA-N 3 2 274.368 -0.287 20 0 CBADLP [NH3+]C1(C(=O)NCCO[C@@H]2CCCCO2)CC[NH2+]CC1 ZINC001220862033 825114319 /nfs/dbraw/zinc/11/43/19/825114319.db2.gz MSGIRRMKCWXEAF-LLVKDONJSA-N 2 2 271.361 -0.273 20 0 CBADLP CCC[C@@H](CCO)NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220868084 825115533 /nfs/dbraw/zinc/11/55/33/825115533.db2.gz ASKFOLNBYGOCMQ-GXSJLCMTSA-N 2 2 254.334 -0.053 20 0 CBADLP [NH3+][C@H](C(=O)NCCN1CC[NH2+]CC1=O)c1ccccc1 ZINC001220872217 825117338 /nfs/dbraw/zinc/11/73/38/825117338.db2.gz OSBKQCCZFCALGC-ZDUSSCGKSA-N 2 2 276.340 -0.766 20 0 CBADLP COC(=O)[C@@H]1C[C@H]1CNC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001220882734 825119507 /nfs/dbraw/zinc/11/95/07/825119507.db2.gz ZVDFCJYWILYBCU-GDPRMGEGSA-N 2 2 280.328 -0.785 20 0 CBADLP COC(=O)[C@@H]1C[C@H]1CNC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220881980 825119584 /nfs/dbraw/zinc/11/95/84/825119584.db2.gz QRKISORNUQERIU-SFGNSQDASA-N 2 2 266.301 -0.795 20 0 CBADLP COC(=O)C[C@@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])c1ccccn1 ZINC001220901359 825122684 /nfs/dbraw/zinc/12/26/84/825122684.db2.gz WVSOFJHERKBNLO-JBLDHEPKSA-N 2 2 292.339 -0.651 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NC1(c2ncccn2)CC1 ZINC001220932149 825125425 /nfs/dbraw/zinc/12/54/25/825125425.db2.gz HPWKVGOGFCPWRL-NSHDSACASA-N 2 2 286.339 -0.115 20 0 CBADLP Cc1noc(C2(NC(=O)[C@@]34C[NH2+]C[C@H]3CC[NH2+]4)CC2)n1 ZINC001220933025 825125880 /nfs/dbraw/zinc/12/58/80/825125880.db2.gz UEZYUBYPOJRUSF-NOZJJQNGSA-N 2 2 277.328 -0.565 20 0 CBADLP CC(=O)OC[C@H]([NH3+])C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC001220934462 825125959 /nfs/dbraw/zinc/12/59/59/825125959.db2.gz OPVWVYZWVLOFDN-NEPJUHHUSA-N 2 2 292.339 -0.333 20 0 CBADLP Nc1ccc([C@H](CCO)NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])cc1 ZINC001220955067 825128493 /nfs/dbraw/zinc/12/84/93/825128493.db2.gz COFSAIIXUAVNGA-AVGNSLFASA-N 2 2 278.356 -0.645 20 0 CBADLP CC(C)C(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)CC1 ZINC001221008548 825135065 /nfs/dbraw/zinc/13/50/65/825135065.db2.gz WEGBEUJAQDNQKR-LPWJVIDDSA-N 2 2 296.415 -0.125 20 0 CBADLP Cc1nnc(CNC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)o1 ZINC001221010809 825136035 /nfs/dbraw/zinc/13/60/35/825136035.db2.gz QUFHBORNNUJPDH-MRVPVSSYSA-N 2 2 250.262 -0.713 20 0 CBADLP O=C(NCc1c[nH+]cn1C1CCC1)[C@H]1[NH2+]CC[C@@H]1O ZINC001221023944 825138182 /nfs/dbraw/zinc/13/81/82/825138182.db2.gz WGCPEZFWZFSTCG-RYUDHWBXSA-N 2 2 264.329 -0.053 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCc2cn(CC3CC3)cn2)C1 ZINC001221024063 825138229 /nfs/dbraw/zinc/13/82/29/825138229.db2.gz XJZDGBCGLUPXDC-PWSUYJOCSA-N 2 2 263.345 -0.402 20 0 CBADLP [NH3+]CCN(C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)c1ccc(F)cc1 ZINC001221060442 825139845 /nfs/dbraw/zinc/13/98/45/825139845.db2.gz ACKYOBKBBYWQSW-PWSUYJOCSA-N 3 2 266.320 -0.193 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCF)C[C@@H]1O ZINC001221093810 825144225 /nfs/dbraw/zinc/14/42/25/825144225.db2.gz YCXAJVHRICSQFF-MNOVXSKESA-N 2 2 261.341 -0.543 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCF)C[C@@H]1O ZINC001221093810 825144232 /nfs/dbraw/zinc/14/42/32/825144232.db2.gz YCXAJVHRICSQFF-MNOVXSKESA-N 2 2 261.341 -0.543 20 0 CBADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCF)C[C@@H]1O ZINC001221093810 825144236 /nfs/dbraw/zinc/14/42/36/825144236.db2.gz YCXAJVHRICSQFF-MNOVXSKESA-N 2 2 261.341 -0.543 20 0 CBADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001221093810 825144240 /nfs/dbraw/zinc/14/42/40/825144240.db2.gz YCXAJVHRICSQFF-MNOVXSKESA-N 2 2 261.341 -0.543 20 0 CBADLP O=C(NCc1ccnn1CCF)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001221106215 825145157 /nfs/dbraw/zinc/14/51/57/825145157.db2.gz QRYPZPPHCAFXOI-ZMLRMANQSA-N 2 2 281.335 -0.581 20 0 CBADLP COCCC1([NH3+])CCN(C(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)CC1 ZINC001221134101 825146311 /nfs/dbraw/zinc/14/63/11/825146311.db2.gz KZZCVYHSFHHKIM-SWLSCSKDSA-N 3 2 296.415 -0.706 20 0 CBADLP C[C@@H](O)CCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001221164553 825148857 /nfs/dbraw/zinc/14/88/57/825148857.db2.gz LWHCKLVUSLJNRV-UPJWGTAASA-N 2 2 296.371 -0.795 20 0 CBADLP C[C@@H](O)CCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001221164553 825148860 /nfs/dbraw/zinc/14/88/60/825148860.db2.gz LWHCKLVUSLJNRV-UPJWGTAASA-N 2 2 296.371 -0.795 20 0 CBADLP O=C(NCCc1ccc(CO)cc1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001221190653 825151088 /nfs/dbraw/zinc/15/10/88/825151088.db2.gz XAGWDYLKMBUUOL-SOUVJXGZSA-N 2 2 289.379 -0.213 20 0 CBADLP O=C(NCCc1ccc(CO)cc1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001221190678 825151261 /nfs/dbraw/zinc/15/12/61/825151261.db2.gz YDIPGLMRGRGRKT-HOCLYGCPSA-N 2 2 289.379 -0.211 20 0 CBADLP COC(=O)[C@@H]([NH3+])CCC(=O)NC1C[NH+](C(C)(C)C)C1 ZINC001221194942 825152538 /nfs/dbraw/zinc/15/25/38/825152538.db2.gz XNJZXFIWQVKCLG-JTQLQIEISA-N 2 2 271.361 -0.134 20 0 CBADLP O=C(NCc1nc2cc[nH]cc-2n1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001221194068 825153567 /nfs/dbraw/zinc/15/35/67/825153567.db2.gz KUGYTJUHIIMSQE-OTYXRUKQSA-N 2 2 286.339 -0.474 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)NC[C@]1(CC2CC2)CCC[NH2+]1 ZINC001221245859 825160844 /nfs/dbraw/zinc/16/08/44/825160844.db2.gz GMWPTVAQIYBFJH-OAHLLOKOSA-N 2 2 294.399 -0.543 20 0 CBADLP O=C(NC[C@]1(CC2CC2)CCC[NH2+]1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001221246342 825161903 /nfs/dbraw/zinc/16/19/03/825161903.db2.gz YFYIXSWZXVLPAN-NUEKZKHPSA-N 3 2 292.427 -0.024 20 0 CBADLP C[N@@H+]1CC[C@@H](CNC(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)C1 ZINC001221254667 825162093 /nfs/dbraw/zinc/16/20/93/825162093.db2.gz RYYPHLHJDMAVQF-GMXVVIOVSA-N 3 2 252.362 -0.994 20 0 CBADLP C[N@H+]1CC[C@@H](CNC(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)C1 ZINC001221254667 825162100 /nfs/dbraw/zinc/16/21/00/825162100.db2.gz RYYPHLHJDMAVQF-GMXVVIOVSA-N 3 2 252.362 -0.994 20 0 CBADLP COC(=O)[C@H](CCc1cn(C)c[nH+]1)NC(=O)[C@@H]1CC[NH2+]1 ZINC001221256982 825164301 /nfs/dbraw/zinc/16/43/01/825164301.db2.gz TZRXRYNLIQXFBM-QWRGUYRKSA-N 2 2 280.328 -0.628 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCc2ccc3c(c2)CC(=O)N3)C1 ZINC001221298069 825168264 /nfs/dbraw/zinc/16/82/64/825168264.db2.gz CEBLAFSFVRQFSL-PWSUYJOCSA-N 2 2 274.324 -0.513 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NCC[C@H]1COc2ccccc2O1 ZINC001221295566 825168370 /nfs/dbraw/zinc/16/83/70/825168370.db2.gz LNAIUUITYUHJQB-SRVKXCTJSA-N 2 2 291.351 -0.121 20 0 CBADLP Cc1ncsc1CCNC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001221327639 825170428 /nfs/dbraw/zinc/17/04/28/825170428.db2.gz BXBILGFKWITAQV-BDAKNGLRSA-N 2 2 254.359 -0.201 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2cnn(-c3ccccc3)c(=O)c2)C1 ZINC001221328842 825170935 /nfs/dbraw/zinc/17/09/35/825170935.db2.gz GOGLYLQDEJCRRV-MFKMUULPSA-N 2 2 299.334 -0.140 20 0 CBADLP [NH3+]C[C@@H]1Cc2ccccc2CN1C(=O)C1([NH3+])CC[NH2+]CC1 ZINC001221333241 825172741 /nfs/dbraw/zinc/17/27/41/825172741.db2.gz QLNDRGPRMNFYGY-AWEZNQCLSA-N 3 2 288.395 -0.021 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCc2ccc(-n3ccnn3)cc2)C1 ZINC001221339349 825173226 /nfs/dbraw/zinc/17/32/26/825173226.db2.gz HKYOFGMHUUXJJT-YPMHNXCESA-N 2 2 286.339 -0.427 20 0 CBADLP COC1CC(CNC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)C1 ZINC001221366618 825176508 /nfs/dbraw/zinc/17/65/08/825176508.db2.gz JAMUZYJLEDRLTC-RFBVYIQQSA-N 2 2 252.318 -0.179 20 0 CBADLP CC(C)(C)[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]1[NH2+]CC[C@H]1O ZINC001221358862 825176703 /nfs/dbraw/zinc/17/67/03/825176703.db2.gz RUMVMALWJXREDG-UPJWGTAASA-N 2 2 299.415 -0.428 20 0 CBADLP COC1CC(CNC(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)C1 ZINC001221365746 825176755 /nfs/dbraw/zinc/17/67/55/825176755.db2.gz CFTCZAPROVBFPO-NHNAUAITSA-N 2 2 266.345 -0.169 20 0 CBADLP COC1CC(CNC(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)C1 ZINC001221368780 825177886 /nfs/dbraw/zinc/17/78/86/825177886.db2.gz ZOOZIZYZXJNLIF-SPGNQXPMSA-N 2 2 253.346 -0.521 20 0 CBADLP O=C(NC[C@@H](CO)c1ccccc1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001221377416 825179375 /nfs/dbraw/zinc/17/93/75/825179375.db2.gz NMPFEZFGGGCEKE-LZWOXQAQSA-N 2 2 289.379 -0.170 20 0 CBADLP C[C@@H](NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)c1ccno1 ZINC001221397145 825181215 /nfs/dbraw/zinc/18/12/15/825181215.db2.gz KTUJGRNRDBSBLH-XFWSIPNHSA-N 2 2 250.302 -0.198 20 0 CBADLP COC(=O)[C@@H]([NH3+])CC(=O)N[C@H](C1CCC1)C1C[NH2+]C1 ZINC001221411226 825185764 /nfs/dbraw/zinc/18/57/64/825185764.db2.gz UVUCZTXLBBFDEN-CMPLNLGQSA-N 2 2 269.345 -0.619 20 0 CBADLP O=C(N[C@H](C1CCC1)C1C[NH2+]C1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001221410205 825185910 /nfs/dbraw/zinc/18/59/10/825185910.db2.gz QFZDSWXFGNVBTK-NFAWXSAZSA-N 3 2 278.400 -0.558 20 0 CBADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](C1CCC1)C1C[NH2+]C1 ZINC001221411871 825187051 /nfs/dbraw/zinc/18/70/51/825187051.db2.gz YHLRHSLWWABMMY-QWHCGFSZSA-N 3 2 277.372 -0.216 20 0 CBADLP CCC[N@H+](C)CC(=O)N1C[C@H]2CC[NH+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001221973003 825197163 /nfs/dbraw/zinc/19/71/63/825197163.db2.gz UKLYRYILIDFHJA-YNEHKIRRSA-N 2 2 296.415 -0.265 20 0 CBADLP CCC[N@@H+](C)CC(=O)N1C[C@H]2CC[NH+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001221973003 825197166 /nfs/dbraw/zinc/19/71/66/825197166.db2.gz UKLYRYILIDFHJA-YNEHKIRRSA-N 2 2 296.415 -0.265 20 0 CBADLP CCC[NH+](C)CC(=O)N1C[C@H]2CC[N@@H+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001221973003 825197171 /nfs/dbraw/zinc/19/71/71/825197171.db2.gz UKLYRYILIDFHJA-YNEHKIRRSA-N 2 2 296.415 -0.265 20 0 CBADLP CCC[NH+](C)CC(=O)N1C[C@H]2CC[N@H+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001221973003 825197176 /nfs/dbraw/zinc/19/71/76/825197176.db2.gz UKLYRYILIDFHJA-YNEHKIRRSA-N 2 2 296.415 -0.265 20 0 CBADLP C([C@H]1COCC[NH2+]1)N1CC[NH2+]C2(CC[NH2+]CC2)C1 ZINC001222086006 825199206 /nfs/dbraw/zinc/19/92/06/825199206.db2.gz QTFSWFVUSDUAMQ-LBPRGKRZSA-N 3 2 254.378 -0.998 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N1C[C@H]2CC[NH+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001222053182 825199695 /nfs/dbraw/zinc/19/96/95/825199695.db2.gz IXHCNDRKEMOIMH-YNEHKIRRSA-N 2 2 296.415 -0.267 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N1C[C@H]2CC[NH+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001222053182 825199699 /nfs/dbraw/zinc/19/96/99/825199699.db2.gz IXHCNDRKEMOIMH-YNEHKIRRSA-N 2 2 296.415 -0.267 20 0 CBADLP CC(C)[NH+](C)CC(=O)N1C[C@H]2CC[N@@H+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001222053182 825199700 /nfs/dbraw/zinc/19/97/00/825199700.db2.gz IXHCNDRKEMOIMH-YNEHKIRRSA-N 2 2 296.415 -0.267 20 0 CBADLP CC(C)[NH+](C)CC(=O)N1C[C@H]2CC[N@H+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001222053182 825199703 /nfs/dbraw/zinc/19/97/03/825199703.db2.gz IXHCNDRKEMOIMH-YNEHKIRRSA-N 2 2 296.415 -0.267 20 0 CBADLP COC[C@@H](O)C[NH2+][C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001222098765 825200999 /nfs/dbraw/zinc/20/09/99/825200999.db2.gz PPGDFXCJPDDQSX-OLZOCXBDSA-N 2 2 296.371 -0.529 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001222097867 825201974 /nfs/dbraw/zinc/20/19/74/825201974.db2.gz IBMBDKAAMUYAFS-RYUDHWBXSA-N 2 2 293.371 -0.402 20 0 CBADLP C[NH+]1CCN(C(=O)COC[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001222544074 825215936 /nfs/dbraw/zinc/21/59/36/825215936.db2.gz ZEASNTKDGTZSNB-LBPRGKRZSA-N 2 2 271.361 -0.892 20 0 CBADLP C[NH+]1CCN(C(=O)COC[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001222544074 825215939 /nfs/dbraw/zinc/21/59/39/825215939.db2.gz ZEASNTKDGTZSNB-LBPRGKRZSA-N 2 2 271.361 -0.892 20 0 CBADLP Cn1cc(C[NH+]2CCC(NC(=O)CC[NH+](C)C)CC2)nn1 ZINC001228999164 825326088 /nfs/dbraw/zinc/32/60/88/825326088.db2.gz OHZBBZCVZGPVGM-UHFFFAOYSA-N 2 2 294.403 -0.153 20 0 CBADLP CN(C[C@H]1CC[N@@H+]1CCO)C(=O)CCc1[nH]cc[nH+]1 ZINC001233977243 825443933 /nfs/dbraw/zinc/44/39/33/825443933.db2.gz MNLKWJMCNVKVOX-LLVKDONJSA-N 2 2 266.345 -0.133 20 0 CBADLP CN(C[C@H]1CC[N@H+]1CCO)C(=O)CCc1[nH]cc[nH+]1 ZINC001233977243 825443937 /nfs/dbraw/zinc/44/39/37/825443937.db2.gz MNLKWJMCNVKVOX-LLVKDONJSA-N 2 2 266.345 -0.133 20 0 CBADLP O=c1[nH]cc(C[N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)c(=O)[nH]1 ZINC001235061271 825485586 /nfs/dbraw/zinc/48/55/86/825485586.db2.gz JMTSUURCALISJC-LBPRGKRZSA-N 2 2 265.317 -0.975 20 0 CBADLP O=c1[nH]cc(C[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)c(=O)[nH]1 ZINC001235061271 825485588 /nfs/dbraw/zinc/48/55/88/825485588.db2.gz JMTSUURCALISJC-LBPRGKRZSA-N 2 2 265.317 -0.975 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C[NH+](C)C1CCC1 ZINC001235393229 825494190 /nfs/dbraw/zinc/49/41/90/825494190.db2.gz NMHOMXPTBUPNLA-CYBMUJFWSA-N 2 2 296.415 -0.251 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)C[NH+](C)C1CCC1 ZINC001235393229 825494194 /nfs/dbraw/zinc/49/41/94/825494194.db2.gz NMHOMXPTBUPNLA-CYBMUJFWSA-N 2 2 296.415 -0.251 20 0 CBADLP CNC(=O)C[NH+]1CC[C@@H]1CN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001235393229 825494196 /nfs/dbraw/zinc/49/41/96/825494196.db2.gz NMHOMXPTBUPNLA-CYBMUJFWSA-N 2 2 296.415 -0.251 20 0 CBADLP CNC(=O)C[NH+]1CC[C@@H]1CN(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001235393229 825494200 /nfs/dbraw/zinc/49/42/00/825494200.db2.gz NMHOMXPTBUPNLA-CYBMUJFWSA-N 2 2 296.415 -0.251 20 0 CBADLP CNC(=O)CO[C@H]1COC2(C1)CC[NH+](C[C@@H](C)[NH3+])CC2 ZINC001235485891 825497775 /nfs/dbraw/zinc/49/77/75/825497775.db2.gz ZVRNQUKVEKOJJR-VXGBXAGGSA-N 2 2 285.388 -0.280 20 0 CBADLP COCCN1CC[C@@]2(CCC[N@H+](CC[NH3+])C2)C1=O ZINC001235543048 825501284 /nfs/dbraw/zinc/50/12/84/825501284.db2.gz CJKDPRIIRGDRFP-CYBMUJFWSA-N 2 2 255.362 -0.094 20 0 CBADLP COCCN1CC[C@@]2(CCC[N@@H+](CC[NH3+])C2)C1=O ZINC001235543048 825501291 /nfs/dbraw/zinc/50/12/91/825501291.db2.gz CJKDPRIIRGDRFP-CYBMUJFWSA-N 2 2 255.362 -0.094 20 0 CBADLP Cn1cc(N2CC[C@]3(CC[N@H+](CC[NH3+])C3)C2=O)cn1 ZINC001235538431 825501395 /nfs/dbraw/zinc/50/13/95/825501395.db2.gz QGZBKHQLTVHAQI-ZDUSSCGKSA-N 2 2 263.345 -0.192 20 0 CBADLP Cn1cc(N2CC[C@]3(CC[N@@H+](CC[NH3+])C3)C2=O)cn1 ZINC001235538431 825501397 /nfs/dbraw/zinc/50/13/97/825501397.db2.gz QGZBKHQLTVHAQI-ZDUSSCGKSA-N 2 2 263.345 -0.192 20 0 CBADLP C[C@@H]([NH3+])C[N@@H+]1CCC[C@]2(CCN(CC(=O)N(C)C)C2=O)C1 ZINC001235552195 825503565 /nfs/dbraw/zinc/50/35/65/825503565.db2.gz ZJDQIYPHQNQPRS-DOMZBBRYSA-N 2 2 296.415 -0.264 20 0 CBADLP C[C@@H]([NH3+])C[N@H+]1CCC[C@]2(CCN(CC(=O)N(C)C)C2=O)C1 ZINC001235552195 825503570 /nfs/dbraw/zinc/50/35/70/825503570.db2.gz ZJDQIYPHQNQPRS-DOMZBBRYSA-N 2 2 296.415 -0.264 20 0 CBADLP [NH3+]CC[N@@H+]1C[C@@H]2COC[C@@H](CC(=O)N3CCOCC3)[C@@H]2C1 ZINC001235594095 825507378 /nfs/dbraw/zinc/50/73/78/825507378.db2.gz PXDDCJZVNMCDQK-MCIONIFRSA-N 2 2 297.399 -0.612 20 0 CBADLP [NH3+]CC[N@H+]1C[C@@H]2COC[C@@H](CC(=O)N3CCOCC3)[C@@H]2C1 ZINC001235594095 825507382 /nfs/dbraw/zinc/50/73/82/825507382.db2.gz PXDDCJZVNMCDQK-MCIONIFRSA-N 2 2 297.399 -0.612 20 0 CBADLP Cc1[nH+]c[nH]c1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235868128 825515107 /nfs/dbraw/zinc/51/51/07/825515107.db2.gz ALBAKBOGWLARLN-UHFFFAOYSA-N 3 2 266.393 -0.697 20 0 CBADLP Cc1[nH]c(CN2CC[NH2+]CCNCC[NH2+]CC2)c[nH+]1 ZINC001235870081 825516872 /nfs/dbraw/zinc/51/68/72/825516872.db2.gz HNDFHBGQOBYSBR-UHFFFAOYSA-N 3 2 266.393 -0.697 20 0 CBADLP Cc1[nH]cc(CN2CC[NH2+]CCNCC[NH2+]CC2)[nH+]1 ZINC001235870081 825516875 /nfs/dbraw/zinc/51/68/75/825516875.db2.gz HNDFHBGQOBYSBR-UHFFFAOYSA-N 3 2 266.393 -0.697 20 0 CBADLP COC(=O)[C@@H]1C[NH2+]CCN1Cc1c(C)[nH+]cn1C ZINC001236056644 825521523 /nfs/dbraw/zinc/52/15/23/825521523.db2.gz LHNYHURLPZHXFL-JTQLQIEISA-N 2 2 252.318 -0.325 20 0 CBADLP CC1(C)[NH2+]C[C@@H](C[N@@H+]2CCC[C@@H](N3CC([NH3+])C3)C2)O1 ZINC001236073416 825523622 /nfs/dbraw/zinc/52/36/22/825523622.db2.gz MYLASWTUYBOVKF-OLZOCXBDSA-N 3 2 268.405 -0.182 20 0 CBADLP CC1(C)[NH2+]C[C@@H](C[N@H+]2CCC[C@@H](N3CC([NH3+])C3)C2)O1 ZINC001236073416 825523626 /nfs/dbraw/zinc/52/36/26/825523626.db2.gz MYLASWTUYBOVKF-OLZOCXBDSA-N 3 2 268.405 -0.182 20 0 CBADLP COC(=O)[C@H]1C[N@H+](CCC23CC([NH3+])(C2)C3)C[C@@H]1[NH3+] ZINC001236343232 825527945 /nfs/dbraw/zinc/52/79/45/825527945.db2.gz OYHGDFCTJZEXRQ-WPMGSTCASA-N 3 2 253.346 -0.310 20 0 CBADLP COC(=O)[C@H]1C[N@@H+](CCC23CC([NH3+])(C2)C3)C[C@@H]1[NH3+] ZINC001236343232 825527951 /nfs/dbraw/zinc/52/79/51/825527951.db2.gz OYHGDFCTJZEXRQ-WPMGSTCASA-N 3 2 253.346 -0.310 20 0 CBADLP COC(=O)[C@@H]1CN(C[C@@H]2[C@H](C)C[NH2+]CC2(F)F)C[C@H]1[NH3+] ZINC001236346507 825529529 /nfs/dbraw/zinc/52/95/29/825529529.db2.gz ZNIQXHXFSRVCKW-GWOFURMSSA-N 2 2 291.342 -0.091 20 0 CBADLP CC(=O)N1CC2(C1)C[N@H+](C[C@H](C)[NH3+])C[C@H]2C(=O)N(C)C ZINC001237179266 825535115 /nfs/dbraw/zinc/53/51/15/825535115.db2.gz JGHOZTJCJSPEON-JQWIXIFHSA-N 2 2 282.388 -0.798 20 0 CBADLP CC(=O)N1CC2(C1)C[N@@H+](C[C@H](C)[NH3+])C[C@H]2C(=O)N(C)C ZINC001237179266 825535125 /nfs/dbraw/zinc/53/51/25/825535125.db2.gz JGHOZTJCJSPEON-JQWIXIFHSA-N 2 2 282.388 -0.798 20 0 CBADLP COC(=O)CO[C@H]1CC[N@H+](C[C@@H]2C[NH2+]C(C)(C)O2)C1 ZINC001237188152 825535512 /nfs/dbraw/zinc/53/55/12/825535512.db2.gz NXDWGMLAEMTUEY-QWRGUYRKSA-N 2 2 272.345 -0.025 20 0 CBADLP COC(=O)CO[C@H]1CC[N@@H+](C[C@@H]2C[NH2+]C(C)(C)O2)C1 ZINC001237188152 825535516 /nfs/dbraw/zinc/53/55/16/825535516.db2.gz NXDWGMLAEMTUEY-QWRGUYRKSA-N 2 2 272.345 -0.025 20 0 CBADLP C[N@@H+]1CCc2ncc(NS(=O)(=O)CC[NH3+])cc2C1 ZINC001237494065 825535700 /nfs/dbraw/zinc/53/57/00/825535700.db2.gz XZVXZYSFVMOPEH-UHFFFAOYSA-N 2 2 270.358 -0.230 20 0 CBADLP C[N@H+]1CCc2ncc(NS(=O)(=O)CC[NH3+])cc2C1 ZINC001237494065 825535705 /nfs/dbraw/zinc/53/57/05/825535705.db2.gz XZVXZYSFVMOPEH-UHFFFAOYSA-N 2 2 270.358 -0.230 20 0 CBADLP CCOC(=O)[C@@H]1C[N@H+](C[C@H](C)[NH3+])CCC12C[NH2+]C2 ZINC001237411915 825535863 /nfs/dbraw/zinc/53/58/63/825535863.db2.gz QVFIYBDRJXYRFI-QWRGUYRKSA-N 3 2 255.362 -0.192 20 0 CBADLP CCOC(=O)[C@@H]1C[N@@H+](C[C@H](C)[NH3+])CCC12C[NH2+]C2 ZINC001237411915 825535868 /nfs/dbraw/zinc/53/58/68/825535868.db2.gz QVFIYBDRJXYRFI-QWRGUYRKSA-N 3 2 255.362 -0.192 20 0 CBADLP [NH3+]CCS(=O)(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC001238813369 825564869 /nfs/dbraw/zinc/56/48/69/825564869.db2.gz TVAJJLXPJWZACB-NSHDSACASA-N 2 2 284.385 -0.072 20 0 CBADLP [NH3+]CCS(=O)(=O)N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001239093584 825586671 /nfs/dbraw/zinc/58/66/71/825586671.db2.gz OPVWWQFIAOKTOW-GFCCVEGCSA-N 2 2 269.370 -0.079 20 0 CBADLP O[C@H](C[NH2+][C@H]1CCC[NH2+]C1)CC1(O)CC[NH2+]CC1 ZINC001245978811 825616551 /nfs/dbraw/zinc/61/65/51/825616551.db2.gz FTEMQCWLKTZXAI-RYUDHWBXSA-N 3 2 257.378 -0.807 20 0 CBADLP O[C@]1(C[NH2+]C2CN(C3CC[NH2+]CC3)C2)CCC[NH2+]C1 ZINC001245989010 825617466 /nfs/dbraw/zinc/61/74/66/825617466.db2.gz KEYVMOMFEFGSCI-CQSZACIVSA-N 3 2 268.405 -0.873 20 0 CBADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@H](O)CC1(O)CC[NH2+]CC1 ZINC001245982609 825617835 /nfs/dbraw/zinc/61/78/35/825617835.db2.gz LLBCDZUBMPGAAY-JHJVBQTASA-N 3 2 271.405 -0.561 20 0 CBADLP O[C@@H](C[NH2+][C@@H]1CCCC[NH2+]C1)CC1(O)CC[NH2+]CC1 ZINC001245986945 825618099 /nfs/dbraw/zinc/61/80/99/825618099.db2.gz AHMFHMCMFRCNAN-CHWSQXEVSA-N 3 2 271.405 -0.416 20 0 CBADLP C[C@@H]1CC[C@@H](C[NH2+]C[C@H](O)CC2(O)CC[NH2+]CC2)[NH2+]C1 ZINC001245990533 825618190 /nfs/dbraw/zinc/61/81/90/825618190.db2.gz JGNMXLVRWHDPFI-HZSPNIEDSA-N 3 2 285.432 -0.170 20 0 CBADLP C[C@@H]1CC[C@H](C[NH2+]C[C@@H](O)CC2(O)CC[NH2+]CC2)[NH2+]C1 ZINC001245990540 825618594 /nfs/dbraw/zinc/61/85/94/825618594.db2.gz JGNMXLVRWHDPFI-MCIONIFRSA-N 3 2 285.432 -0.170 20 0 CBADLP CC[NH+](CC)C[C@H](O)C[NH2+][C@@H](CCCC[NH3+])C(=O)NC ZINC001246019737 825622572 /nfs/dbraw/zinc/62/25/72/825622572.db2.gz MSMPQTADNMHBEC-OLZOCXBDSA-N 3 2 288.436 -0.478 20 0 CBADLP [NH3+][C@@]12C[C@@H]1CCN(C[C@@H](O)C[NH+]1CCOCC1)C2 ZINC001246032122 825627740 /nfs/dbraw/zinc/62/77/40/825627740.db2.gz KZUMHVPICUSKAZ-RWMBFGLXSA-N 2 2 255.362 -0.897 20 0 CBADLP COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2C[NH2+]CC[C@H]2C)CN1 ZINC001246117886 825637706 /nfs/dbraw/zinc/63/77/06/825637706.db2.gz MSVVHBXSMNYADC-NOOOWODRSA-N 2 2 255.362 -0.132 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](NC[C@@]2(F)CCCC[NH2+]C2)C[NH2+]1 ZINC001246116226 825638151 /nfs/dbraw/zinc/63/81/51/825638151.db2.gz WCFVILCLEJXUJQ-NTZNESFSSA-N 2 2 273.352 -0.039 20 0 CBADLP COC(=O)[C@@H]1CC[C@@H]([NH2+][C@H]2C[NH2+]CC23CC3)CN1 ZINC001246131469 825638804 /nfs/dbraw/zinc/63/88/04/825638804.db2.gz KENYBFSRVJUJLH-VWYCJHECSA-N 2 2 253.346 -0.378 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](N[C@@]23CCC[C@@H]2[NH2+]CC3)C[NH2+]1 ZINC001246137084 825638851 /nfs/dbraw/zinc/63/88/51/825638851.db2.gz ULZFZXGPYBCTMJ-MPPDQPJWSA-N 2 2 253.346 -0.236 20 0 CBADLP C([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001246148477 825641452 /nfs/dbraw/zinc/64/14/52/825641452.db2.gz SOXSEEMVWFKYBM-KGLIPLIRSA-N 4 2 293.459 -0.456 20 0 CBADLP COC(=O)[C@H](CCCC[NH3+])[NH2+][C@H]1CCNC(=O)C1 ZINC001246153404 825642341 /nfs/dbraw/zinc/64/23/41/825642341.db2.gz RPMYJNZTRYTCOZ-UWVGGRQHSA-N 2 2 257.334 -0.475 20 0 CBADLP COC(=O)[C@@H]1CC[C@@H](n2cc[nH+]c2CC[NH3+])CN1 ZINC001246191299 825647942 /nfs/dbraw/zinc/64/79/42/825647942.db2.gz PXLOUYDEQBKIMN-ZJUUUORDSA-N 2 2 252.318 -0.150 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](n2c(C)ncc(C[NH3+])c2=N)C[NH2+]1 ZINC001246191651 825648442 /nfs/dbraw/zinc/64/84/42/825648442.db2.gz PLOXFQGHWUARGQ-ZJUUUORDSA-N 2 2 265.317 -0.794 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CC[C@@H]1N[C@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001246199482 825649485 /nfs/dbraw/zinc/64/94/85/825649485.db2.gz KJWWIBZQFCIGNA-WYUUTHIRSA-N 2 2 299.371 -0.979 20 0 CBADLP CCOC(=O)[C@H](CCC[NH3+])N[C@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001246210561 825650737 /nfs/dbraw/zinc/65/07/37/825650737.db2.gz POXGZYFFUIVKPF-VWYCJHECSA-N 2 2 287.360 -0.850 20 0 CBADLP CC1(C)O[C@@H]2[C@@H](O)C[C@@H]([NH2+][C@H]3CCC[NH2+]C3)[C@@H]2O1 ZINC001246217466 825651814 /nfs/dbraw/zinc/65/18/14/825651814.db2.gz GXBQDDXVBPHGDB-KZZRWZIVSA-N 2 2 256.346 -0.019 20 0 CBADLP CC1(C)O[C@@H]2[C@@H](O)C[C@@H]([NH2+][C@@H]3CCC[NH2+]C3)[C@@H]2O1 ZINC001246217467 825651924 /nfs/dbraw/zinc/65/19/24/825651924.db2.gz GXBQDDXVBPHGDB-LDMBFOFVSA-N 2 2 256.346 -0.019 20 0 CBADLP COC(=O)[C@@H]1CC[C@H](NC(=[NH2+])N2CC[NH+](C)CC2)CN1 ZINC001246233252 825654363 /nfs/dbraw/zinc/65/43/63/825654363.db2.gz INSZARWWWGBWTK-QWRGUYRKSA-N 2 2 283.376 -0.948 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](n2nc(CC[NH3+])nc2C)C[NH2+]1 ZINC001246245111 825655647 /nfs/dbraw/zinc/65/56/47/825655647.db2.gz QTVMLHWBSXGZAD-BDAKNGLRSA-N 2 2 253.306 -0.836 20 0 CBADLP CC[C@]1(C(=O)OC)C[C@@H](N[C@H]2C[NH2+]CCC2=O)C[NH2+]1 ZINC001246285922 825659332 /nfs/dbraw/zinc/65/93/32/825659332.db2.gz AGEOLHWECWANJN-GBIKHYSHSA-N 2 2 269.345 -0.809 20 0 CBADLP C[C@H]1CC[C@H]([NH2+]CCOCCOCCOCC[NH3+])C[NH2+]1 ZINC001246288101 825660727 /nfs/dbraw/zinc/66/07/27/825660727.db2.gz LLEFHPYYMATPJR-KBPBESRZSA-N 3 2 289.420 -0.275 20 0 CBADLP CCOC(=O)CN1CCC([NH2+][C@H]2C[NH2+]C[C@@H]2CO)CC1 ZINC001246300323 825661906 /nfs/dbraw/zinc/66/19/06/825661906.db2.gz QTYSLIOFHNPLQA-YPMHNXCESA-N 2 2 285.388 -0.816 20 0 CBADLP COC(=O)CC[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](C)C1)C(N)=O ZINC001246388364 825670192 /nfs/dbraw/zinc/67/01/92/825670192.db2.gz HSQRIPFTJQASIS-AEJSXWLSSA-N 2 2 257.334 -0.476 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](N[C@H]2C[NH2+]CCC2(C)C)C[NH2+]1 ZINC001246324992 825664568 /nfs/dbraw/zinc/66/45/68/825664568.db2.gz IITRRGPWKDOYQG-VWYCJHECSA-N 2 2 255.362 -0.132 20 0 CBADLP COC(=O)[C@@H]1CC[C@H](N[C@]2(C[NH3+])C[NH+]3CCC2CC3)CN1 ZINC001246324781 825664747 /nfs/dbraw/zinc/66/47/47/825664747.db2.gz HHEWZKPGYAOIMO-KCQAQPDRSA-N 2 2 296.415 -0.707 20 0 CBADLP C([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)[C@@H]1CSCC[NH2+]1 ZINC001246335258 825665612 /nfs/dbraw/zinc/66/56/12/825665612.db2.gz HFZCEKAVKFAGDE-WDEREUQCSA-N 3 2 256.419 -0.625 20 0 CBADLP COC(=O)[C@H](Cc1c[nH+]cn1C)N[C@H]1CCC[NH2+]C1 ZINC001246333730 825665717 /nfs/dbraw/zinc/66/57/17/825665717.db2.gz NDAZJQUZQHZXQX-JQWIXIFHSA-N 2 2 266.345 -0.154 20 0 CBADLP COC(=O)[C@@H]1CC[C@@H]([NH2+]CCC[NH2+]CCC[NH3+])CN1 ZINC001246450179 825673725 /nfs/dbraw/zinc/67/37/25/825673725.db2.gz BZTRAOABMUDDQV-NEPJUHHUSA-N 3 2 272.393 -0.802 20 0 CBADLP COC(=O)[C@@H]1C[C@H]([NH2+]CCC[NH2+]CCC[NH3+])CCN1 ZINC001246455045 825674299 /nfs/dbraw/zinc/67/42/99/825674299.db2.gz WBSPAEYFXPEGLK-NEPJUHHUSA-N 3 2 272.393 -0.802 20 0 CBADLP CC[C@]1(C(=O)OC)C[C@@H]([NH2+]CCC[NH2+]CCC[NH3+])CN1 ZINC001246453418 825674325 /nfs/dbraw/zinc/67/43/25/825674325.db2.gz NULWZIAUAZFPEZ-TZMCWYRMSA-N 3 2 286.420 -0.412 20 0 CBADLP C[C@H](NC(=O)[C@H](C)[NH2+][C@H]1CC[NH2+][C@@H](C)C1)C(N)=O ZINC001246486111 825675995 /nfs/dbraw/zinc/67/59/95/825675995.db2.gz ITWOIPPXHDKXSU-XKNYDFJKSA-N 2 2 256.350 -0.905 20 0 CBADLP COC(=O)[C@@H]1C[C@@H]([NH2+]CCOc2cc[nH+]cc2)CN1 ZINC001246501664 825677278 /nfs/dbraw/zinc/67/72/78/825677278.db2.gz BJFLBBYSYXCVES-PWSUYJOCSA-N 2 2 265.313 -0.047 20 0 CBADLP COC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H]2C[NH2+]C[C@H](C)C2)CN1 ZINC001246499888 825677317 /nfs/dbraw/zinc/67/73/17/825677317.db2.gz VQRUNRNNANYUHR-WYUUTHIRSA-N 2 2 255.362 -0.132 20 0 CBADLP COC(=O)[C@@H]1C[C@H](N2CC[NH+]([C@H]3CCOC3)CC2)C[NH2+]1 ZINC001246536260 825681617 /nfs/dbraw/zinc/68/16/17/825681617.db2.gz DRMXHDZFEJXRSH-AVGNSLFASA-N 2 2 283.372 -0.704 20 0 CBADLP COC(=O)[C@@H]1C[C@H]([N@@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)CCN1 ZINC001246571597 825687729 /nfs/dbraw/zinc/68/77/29/825687729.db2.gz VZQLJWYPZGVFOA-WYUUTHIRSA-N 2 2 255.362 -0.051 20 0 CBADLP COC(=O)[C@@H]1C[C@H]([N@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)CCN1 ZINC001246571597 825687732 /nfs/dbraw/zinc/68/77/32/825687732.db2.gz VZQLJWYPZGVFOA-WYUUTHIRSA-N 2 2 255.362 -0.051 20 0 CBADLP COC(=O)[C@@H]1C[C@H](n2ncc3c2CC[NH2+]C3)C[NH2+]1 ZINC001246597005 825692624 /nfs/dbraw/zinc/69/26/24/825692624.db2.gz LABASOQRYJEGFW-UWVGGRQHSA-N 2 2 250.302 -0.395 20 0 CBADLP COC(=O)[C@@H]1C[C@H]([N@@H+]2C[C@@H](C[NH3+])CC[C@H]2C)CN1 ZINC001246588939 825692866 /nfs/dbraw/zinc/69/28/66/825692866.db2.gz BRVWOZJQXMVRCC-WYUUTHIRSA-N 2 2 255.362 -0.051 20 0 CBADLP COC(=O)[C@@H]1C[C@H]([N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)CN1 ZINC001246588939 825692868 /nfs/dbraw/zinc/69/28/68/825692868.db2.gz BRVWOZJQXMVRCC-WYUUTHIRSA-N 2 2 255.362 -0.051 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](F)C[N@@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246605901 825694412 /nfs/dbraw/zinc/69/44/12/825694412.db2.gz RTJYFYZTHQWZIP-MXWKQRLJSA-N 2 2 271.336 -0.334 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](F)C[N@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246605901 825694414 /nfs/dbraw/zinc/69/44/14/825694414.db2.gz RTJYFYZTHQWZIP-MXWKQRLJSA-N 2 2 271.336 -0.334 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](N2CCOCC3(CC[NH2+]CC3)C2)C[NH2+]1 ZINC001246616343 825695594 /nfs/dbraw/zinc/69/55/94/825695594.db2.gz VUDWCPJLBNCQAQ-OLZOCXBDSA-N 2 2 297.399 -0.408 20 0 CBADLP C[C@H]1C[C@H]([N@@H+]2CC(=O)NC3(CC[NH2+]CC3)C2)CC[NH2+]1 ZINC001246626580 825697808 /nfs/dbraw/zinc/69/78/08/825697808.db2.gz JUWJVZFNOXYCMV-NWDGAFQWSA-N 3 2 266.389 -0.319 20 0 CBADLP C[C@H]1C[C@H]([N@H+]2CC(=O)NC3(CC[NH2+]CC3)C2)CC[NH2+]1 ZINC001246626580 825697813 /nfs/dbraw/zinc/69/78/13/825697813.db2.gz JUWJVZFNOXYCMV-NWDGAFQWSA-N 3 2 266.389 -0.319 20 0 CBADLP O=C1C[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC2(CC[NH2+]CC2)N1 ZINC001246630561 825698437 /nfs/dbraw/zinc/69/84/37/825698437.db2.gz SSSZLXSFIZEZIX-FUNVUKJBSA-N 3 2 278.400 -0.177 20 0 CBADLP O=C1C[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC2(CC[NH2+]CC2)N1 ZINC001246630561 825698441 /nfs/dbraw/zinc/69/84/41/825698441.db2.gz SSSZLXSFIZEZIX-FUNVUKJBSA-N 3 2 278.400 -0.177 20 0 CBADLP COC(=O)[C@@H]1CC[C@H]([N@@H+]2C[C@H]3CCC[NH2+][C@H]3C2)CN1 ZINC001246657438 825703360 /nfs/dbraw/zinc/70/33/60/825703360.db2.gz MGNPYJNKFLAIFL-VOAKCMCISA-N 2 2 267.373 -0.036 20 0 CBADLP COC(=O)[C@@H]1CC[C@H]([N@H+]2C[C@H]3CCC[NH2+][C@H]3C2)CN1 ZINC001246657438 825703364 /nfs/dbraw/zinc/70/33/64/825703364.db2.gz MGNPYJNKFLAIFL-VOAKCMCISA-N 2 2 267.373 -0.036 20 0 CBADLP COC(=O)[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)CN1 ZINC001246661692 825703757 /nfs/dbraw/zinc/70/37/57/825703757.db2.gz RTVGDQSEOGSXDP-VOAKCMCISA-N 2 2 267.373 -0.036 20 0 CBADLP COC(=O)[C@@H]1CC[C@H]([N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)CN1 ZINC001246661692 825703761 /nfs/dbraw/zinc/70/37/61/825703761.db2.gz RTVGDQSEOGSXDP-VOAKCMCISA-N 2 2 267.373 -0.036 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](N2CC[N@@H+]3CCC[C@@H]3C2)C[NH2+]1 ZINC001246774857 825710728 /nfs/dbraw/zinc/71/07/28/825710728.db2.gz GXAXECDSPOXVEA-UTUOFQBUSA-N 2 2 253.346 -0.330 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](N2CC[N@H+]3CCC[C@@H]3C2)C[NH2+]1 ZINC001246774857 825710729 /nfs/dbraw/zinc/71/07/29/825710729.db2.gz GXAXECDSPOXVEA-UTUOFQBUSA-N 2 2 253.346 -0.330 20 0 CBADLP O=C(C[NH+]1CCN([C@@H]2CCC[NH2+]C2)CC1)N1CCCC1 ZINC001246787627 825710985 /nfs/dbraw/zinc/71/09/85/825710985.db2.gz FFJUVCNZIZGDHD-CQSZACIVSA-N 2 2 280.416 -0.022 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](n2ccc([C@@H]3CCC[NH2+]3)nc2=N)C[NH2+]1 ZINC001246810162 825715244 /nfs/dbraw/zinc/71/52/44/825715244.db2.gz YRBPPSXKNDMCRR-SCVCMEIPSA-N 2 2 291.355 -0.137 20 0 CBADLP CC1(C)CN([C@@H]2CCC[NH2+]C2)CC[N@@H+]1CC(N)=O ZINC001246819954 825715905 /nfs/dbraw/zinc/71/59/05/825715905.db2.gz LRWZXNAJPRYQIO-LLVKDONJSA-N 2 2 254.378 -0.380 20 0 CBADLP CC1(C)CN([C@@H]2CCC[NH2+]C2)CC[N@H+]1CC(N)=O ZINC001246819954 825715910 /nfs/dbraw/zinc/71/59/10/825715910.db2.gz LRWZXNAJPRYQIO-LLVKDONJSA-N 2 2 254.378 -0.380 20 0 CBADLP COC(=O)[C@@H]1C[C@H](N2CC[C@@H]([NH3+])C(F)(F)C2)C[NH2+]1 ZINC001246832410 825719171 /nfs/dbraw/zinc/71/91/71/825719171.db2.gz BYOSEATWDLYITH-XHNCKOQMSA-N 2 2 263.288 -0.442 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](N2CC[N@H+](C)C(C)(C)C2)C[NH2+]1 ZINC001246843129 825721401 /nfs/dbraw/zinc/72/14/01/825721401.db2.gz BBQOOAFGUFXFQU-MNOVXSKESA-N 2 2 255.362 -0.084 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](N2CC[N@@H+](C)C(C)(C)C2)C[NH2+]1 ZINC001246843129 825721407 /nfs/dbraw/zinc/72/14/07/825721407.db2.gz BBQOOAFGUFXFQU-MNOVXSKESA-N 2 2 255.362 -0.084 20 0 CBADLP COC(=O)[C@@H]1C[C@H](N2CC[N@H+](C)C(C)(C)C2)C[NH2+]1 ZINC001246843135 825721596 /nfs/dbraw/zinc/72/15/96/825721596.db2.gz BBQOOAFGUFXFQU-QWRGUYRKSA-N 2 2 255.362 -0.084 20 0 CBADLP COC(=O)[C@@H]1C[C@H](N2CC[N@@H+](C)C(C)(C)C2)C[NH2+]1 ZINC001246843135 825721597 /nfs/dbraw/zinc/72/15/97/825721597.db2.gz BBQOOAFGUFXFQU-QWRGUYRKSA-N 2 2 255.362 -0.084 20 0 CBADLP COC(=O)[C@@H]1C[C@H](N(C)CC[NH+]2CCCC2)C[NH2+]1 ZINC001246854418 825722720 /nfs/dbraw/zinc/72/27/20/825722720.db2.gz TWQIDJSXNZXXHU-RYUDHWBXSA-N 2 2 255.362 -0.083 20 0 CBADLP CC[C@@]1(C(=O)OC)C[C@H](N(C)CCN2CC[NH2+]CC2)C[NH2+]1 ZINC001246871364 825725255 /nfs/dbraw/zinc/72/52/55/825725255.db2.gz QVYMNVKDBLYUPA-ZFWWWQNUSA-N 2 2 298.431 -0.493 20 0 CBADLP C[C@@H]1C[C@@H]([N@@H+]2CCN3C(=O)COC[C@@H]3C2)CC[NH2+]1 ZINC001246869654 825725295 /nfs/dbraw/zinc/72/52/95/825725295.db2.gz NECVNQXZVZQBRQ-WOPDTQHZSA-N 2 2 253.346 -0.330 20 0 CBADLP C[C@@H]1C[C@@H]([N@H+]2CCN3C(=O)COC[C@@H]3C2)CC[NH2+]1 ZINC001246869654 825725299 /nfs/dbraw/zinc/72/52/99/825725299.db2.gz NECVNQXZVZQBRQ-WOPDTQHZSA-N 2 2 253.346 -0.330 20 0 CBADLP CCOC(=O)C1([NH3+])CCN([C@@H]2C[NH2+][C@H](C(=O)OC)C2)CC1 ZINC001246867866 825725699 /nfs/dbraw/zinc/72/56/99/825725699.db2.gz KUQRLAXXHRUWRJ-QWRGUYRKSA-N 2 2 299.371 -0.754 20 0 CBADLP CC[C@]1(C(=O)OC)C[C@H](N(C)CCN2CC[NH2+]CC2)C[NH2+]1 ZINC001246871361 825726097 /nfs/dbraw/zinc/72/60/97/825726097.db2.gz QVYMNVKDBLYUPA-DZGCQCFKSA-N 2 2 298.431 -0.493 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](n2[nH]c(=O)c3c2CC[NH2+]C3)C[NH2+]1 ZINC001246885780 825727440 /nfs/dbraw/zinc/72/74/40/825727440.db2.gz HJNMWMMOEUPYAB-APPZFPTMSA-N 2 2 266.301 -0.690 20 0 CBADLP COC(=O)[C@H]1CN(C2C[C@@H]3COC[C@H](C2)[N@@H+]3C)C[C@H]1[NH3+] ZINC001246937318 825733778 /nfs/dbraw/zinc/73/37/78/825733778.db2.gz NCYLNCRFJDSMCF-NTWDBFDFSA-N 2 2 283.372 -0.720 20 0 CBADLP COC(=O)[C@H]1CN(C2C[C@@H]3COC[C@H](C2)[N@H+]3C)C[C@H]1[NH3+] ZINC001246937318 825733785 /nfs/dbraw/zinc/73/37/85/825733785.db2.gz NCYLNCRFJDSMCF-NTWDBFDFSA-N 2 2 283.372 -0.720 20 0 CBADLP CC[N@H+](C[C@H]1CC[NH2+]C1)[C@H]1CN[C@H](C(=O)OC)C1 ZINC001246935358 825734599 /nfs/dbraw/zinc/73/45/99/825734599.db2.gz HHQKXDPLIPSQGY-TUAOUCFPSA-N 2 2 255.362 -0.179 20 0 CBADLP CC[N@@H+](C[C@H]1CC[NH2+]C1)[C@H]1CN[C@H](C(=O)OC)C1 ZINC001246935358 825734601 /nfs/dbraw/zinc/73/46/01/825734601.db2.gz HHQKXDPLIPSQGY-TUAOUCFPSA-N 2 2 255.362 -0.179 20 0 CBADLP COC(=O)[C@@H]1C[N@@H+]([C@@H]2C[C@H]3C[NH2+]C[C@H]3C2)C[C@@H]1[NH3+] ZINC001246931342 825734648 /nfs/dbraw/zinc/73/46/48/825734648.db2.gz NVEAAGAXAUVHRS-IIRVCBMXSA-N 3 2 253.346 -0.584 20 0 CBADLP COC(=O)[C@@H]1C[N@H+]([C@@H]2C[C@H]3C[NH2+]C[C@H]3C2)C[C@@H]1[NH3+] ZINC001246931342 825734651 /nfs/dbraw/zinc/73/46/51/825734651.db2.gz NVEAAGAXAUVHRS-IIRVCBMXSA-N 3 2 253.346 -0.584 20 0 CBADLP C[NH+](C)CCNC(=S)N[C@H]1CC[N@@H+](C2COC2)C1 ZINC001249845327 825749919 /nfs/dbraw/zinc/74/99/19/825749919.db2.gz CTNSQLXFQZFMOA-JTQLQIEISA-N 2 2 272.418 -0.515 20 0 CBADLP C[NH+](C)CCNC(=S)N[C@H]1CC[N@H+](C2COC2)C1 ZINC001249845327 825749920 /nfs/dbraw/zinc/74/99/20/825749920.db2.gz CTNSQLXFQZFMOA-JTQLQIEISA-N 2 2 272.418 -0.515 20 0 CBADLP C[NH+](C)CCNC(=S)N[C@@H]1CCC[N@@H+](C2COC2)C1 ZINC001249846722 825750935 /nfs/dbraw/zinc/75/09/35/825750935.db2.gz MXNKANYLWCBTDG-LLVKDONJSA-N 2 2 286.445 -0.125 20 0 CBADLP C[NH+](C)CCNC(=S)N[C@@H]1CCC[N@H+](C2COC2)C1 ZINC001249846722 825750939 /nfs/dbraw/zinc/75/09/39/825750939.db2.gz MXNKANYLWCBTDG-LLVKDONJSA-N 2 2 286.445 -0.125 20 0 CBADLP Cc1[nH+]cn(C)c1NC[C@H](O)C[NH+]1CCOCC1 ZINC001251005351 825758650 /nfs/dbraw/zinc/75/86/50/825758650.db2.gz ARTLHCYRPZGYNL-NSHDSACASA-N 2 2 254.334 -0.166 20 0 CBADLP O[C@@H](CN1CC[N@@H+]2CC[C@@H]2C1)C[NH+]1CCOCC1 ZINC001251023724 825765391 /nfs/dbraw/zinc/76/53/91/825765391.db2.gz NOLULHMLPOOWLU-CHWSQXEVSA-N 2 2 255.362 -0.931 20 0 CBADLP O[C@@H](CN1CC[N@H+]2CC[C@@H]2C1)C[NH+]1CCOCC1 ZINC001251023724 825765400 /nfs/dbraw/zinc/76/54/00/825765400.db2.gz NOLULHMLPOOWLU-CHWSQXEVSA-N 2 2 255.362 -0.931 20 0 CBADLP Cc1c[nH]c(CC[NH2+]C[C@H](O)CN2CCOCC2)[nH+]1 ZINC001251036058 825768001 /nfs/dbraw/zinc/76/80/01/825768001.db2.gz WFOOZKMXFVJQJW-LBPRGKRZSA-N 2 2 268.361 -0.457 20 0 CBADLP C[C@H](O)C[NH+]1CCN(CC[NH+]2CCOCC2)CC1 ZINC001251961335 825809643 /nfs/dbraw/zinc/80/96/43/825809643.db2.gz IOYGCWIQPOFBLG-ZDUSSCGKSA-N 2 2 257.378 -0.683 20 0 CBADLP OC[C@@H](O)C[N@@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001252057101 825818969 /nfs/dbraw/zinc/81/89/69/825818969.db2.gz FGENHQGYOJZTLT-ZNMIVQPWSA-N 2 2 277.368 -0.202 20 0 CBADLP OC[C@@H](O)C[N@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001252057101 825818974 /nfs/dbraw/zinc/81/89/74/825818974.db2.gz FGENHQGYOJZTLT-ZNMIVQPWSA-N 2 2 277.368 -0.202 20 0 CBADLP OC[C@@H](O)C[NH+]1C[C@H]2C[N@H+](Cc3cccnc3)C[C@H]2C1 ZINC001252057101 825818977 /nfs/dbraw/zinc/81/89/77/825818977.db2.gz FGENHQGYOJZTLT-ZNMIVQPWSA-N 2 2 277.368 -0.202 20 0 CBADLP OC[C@@H](O)C[NH+]1C[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]2C1 ZINC001252057101 825818980 /nfs/dbraw/zinc/81/89/80/825818980.db2.gz FGENHQGYOJZTLT-ZNMIVQPWSA-N 2 2 277.368 -0.202 20 0 CBADLP CC[N@H+]([C@H]1CCOC1)C1CC[NH+](C[C@H](O)CO)CC1 ZINC001252060308 825822677 /nfs/dbraw/zinc/82/26/77/825822677.db2.gz NMVZVDBWCSZMBX-KBPBESRZSA-N 2 2 272.389 -0.085 20 0 CBADLP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](C[C@H](O)CO)CC1 ZINC001252060308 825822685 /nfs/dbraw/zinc/82/26/85/825822685.db2.gz NMVZVDBWCSZMBX-KBPBESRZSA-N 2 2 272.389 -0.085 20 0 CBADLP COC(=O)CC[N@H+](CCC[NH+](C)C)C[C@H](O)C(=O)OC ZINC001252422050 825849770 /nfs/dbraw/zinc/84/97/70/825849770.db2.gz PIYBLMGBKAANML-NSHDSACASA-N 2 2 290.360 -0.663 20 0 CBADLP COC(=O)CC[N@@H+](CCC[NH+](C)C)C[C@H](O)C(=O)OC ZINC001252422050 825849774 /nfs/dbraw/zinc/84/97/74/825849774.db2.gz PIYBLMGBKAANML-NSHDSACASA-N 2 2 290.360 -0.663 20 0 CBADLP CC[NH+](CC)C[C@H](O)C[N@@H+](C)CCN1CCOCC1 ZINC001253175001 825901716 /nfs/dbraw/zinc/90/17/16/825901716.db2.gz AJQBYVQXWJCHSS-CQSZACIVSA-N 2 2 273.421 -0.047 20 0 CBADLP CC[NH+](CC)C[C@H](O)CN(C)CC[NH+]1CCOCC1 ZINC001253175001 825901704 /nfs/dbraw/zinc/90/17/04/825901704.db2.gz AJQBYVQXWJCHSS-CQSZACIVSA-N 2 2 273.421 -0.047 20 0 CBADLP CC[NH+](CC)C[C@H](O)C[N@H+](C)CCN1CCOCC1 ZINC001253175001 825901709 /nfs/dbraw/zinc/90/17/09/825901709.db2.gz AJQBYVQXWJCHSS-CQSZACIVSA-N 2 2 273.421 -0.047 20 0 CBADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1CC[C@@](C)(CO)[C@@H](O)C1 ZINC001253180814 825902864 /nfs/dbraw/zinc/90/28/64/825902864.db2.gz JTZYUCFXSMCDNJ-IHRRRGAJSA-N 2 2 274.405 -0.246 20 0 CBADLP CC[NH+](CC)C[C@H](O)C[N@H+]1CC[C@@](C)(CO)[C@@H](O)C1 ZINC001253180814 825902868 /nfs/dbraw/zinc/90/28/68/825902868.db2.gz JTZYUCFXSMCDNJ-IHRRRGAJSA-N 2 2 274.405 -0.246 20 0 CBADLP CC[NH+](CC)C[C@@H](O)C[NH+]1CCC2(CC1)CNC(=O)CO2 ZINC001253188292 825903129 /nfs/dbraw/zinc/90/31/29/825903129.db2.gz VABKXIADJZUFJG-CYBMUJFWSA-N 2 2 299.415 -0.330 20 0 CBADLP CC[NH+](CC)C[C@@H](O)C[N@H+]1CCC(=O)N(C)CC1 ZINC001253189173 825904207 /nfs/dbraw/zinc/90/42/07/825904207.db2.gz HIIQWLQLRRYPJO-GFCCVEGCSA-N 2 2 257.378 -0.147 20 0 CBADLP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CCC(=O)N(C)CC1 ZINC001253189173 825904212 /nfs/dbraw/zinc/90/42/12/825904212.db2.gz HIIQWLQLRRYPJO-GFCCVEGCSA-N 2 2 257.378 -0.147 20 0 CBADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CCc2nncn2CC1 ZINC001253389908 825910610 /nfs/dbraw/zinc/91/06/10/825910610.db2.gz JLNJHMRSFRNSLE-LLVKDONJSA-N 2 2 267.377 -0.115 20 0 CBADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CCc2nncn2CC1 ZINC001253389908 825910617 /nfs/dbraw/zinc/91/06/17/825910617.db2.gz JLNJHMRSFRNSLE-LLVKDONJSA-N 2 2 267.377 -0.115 20 0 CBADLP CC(C)(C)[NH2+]C[C@@H](O)C[NH+]1CCC(NC(N)=O)CC1 ZINC001253385096 825910990 /nfs/dbraw/zinc/91/09/90/825910990.db2.gz SROZAYVAYHYMSB-LLVKDONJSA-N 2 2 272.393 -0.132 20 0 CBADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC001253390422 825912297 /nfs/dbraw/zinc/91/22/97/825912297.db2.gz SSAYUHWUOYJIMU-UTUOFQBUSA-N 2 2 260.378 -0.590 20 0 CBADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC001253390422 825912300 /nfs/dbraw/zinc/91/23/00/825912300.db2.gz SSAYUHWUOYJIMU-UTUOFQBUSA-N 2 2 260.378 -0.590 20 0 CBADLP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]CCN1CCC(O)CC1 ZINC001253406653 825914133 /nfs/dbraw/zinc/91/41/33/825914133.db2.gz TVYKITUIJROOSI-ZDUSSCGKSA-N 2 2 273.421 -0.218 20 0 CBADLP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]CCN1CCC[C@@H](O)C1 ZINC001253407136 825914253 /nfs/dbraw/zinc/91/42/53/825914253.db2.gz FKOFTZWZOCPCEM-OLZOCXBDSA-N 2 2 273.421 -0.218 20 0 CBADLP CC[NH+](CC)CC[C@@H](C)[NH2+][C@@H](CC(N)=O)C(N)=O ZINC001255950879 825996707 /nfs/dbraw/zinc/99/67/07/825996707.db2.gz DPSKHAAVIPKADY-ZJUUUORDSA-N 2 2 258.366 -0.574 20 0 CBADLP CC(C)C[C@H]([NH2+]C1CC[NH+](C)CC1)C(=O)NCC(N)=O ZINC001256201324 826004409 /nfs/dbraw/zinc/00/44/09/826004409.db2.gz FWDGWIANVUSWCR-LBPRGKRZSA-N 2 2 284.404 -0.314 20 0 CBADLP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC001261821273 826588037 /nfs/dbraw/zinc/58/80/37/826588037.db2.gz VULRTJAOWKPNBC-ZJUUUORDSA-N 2 2 279.344 -0.880 20 0 CBADLP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC001261836708 826595226 /nfs/dbraw/zinc/59/52/26/826595226.db2.gz JTXNPKZKTTWNAS-CRWXNKLISA-N 3 2 298.431 -0.332 20 0 CBADLP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC001261836708 826595230 /nfs/dbraw/zinc/59/52/30/826595230.db2.gz JTXNPKZKTTWNAS-CRWXNKLISA-N 3 2 298.431 -0.332 20 0 CBADLP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCCCCn1cc[nH+]c1 ZINC001262060107 826629518 /nfs/dbraw/zinc/62/95/18/826629518.db2.gz QLRPHNUFWWZAJZ-RYUDHWBXSA-N 2 2 293.371 -0.272 20 0 CBADLP C[C@@H](C(=O)NCC[N@H+](C)CCOCCO)n1cc[nH+]c1 ZINC001262192867 826656396 /nfs/dbraw/zinc/65/63/96/826656396.db2.gz SZSZHRZDDNQSID-LBPRGKRZSA-N 2 2 284.360 -0.499 20 0 CBADLP C[C@@H](C(=O)NCC[N@@H+](C)CCOCCO)n1cc[nH+]c1 ZINC001262192867 826656400 /nfs/dbraw/zinc/65/64/00/826656400.db2.gz SZSZHRZDDNQSID-LBPRGKRZSA-N 2 2 284.360 -0.499 20 0 CBADLP C[C@@H]1CN(CC[NH2+]C[C@H](O)C[N@H+](C)C2CC2)CCO1 ZINC001262563981 826709822 /nfs/dbraw/zinc/70/98/22/826709822.db2.gz URKBJDYIBKMITA-OCCSQVGLSA-N 2 2 271.405 -0.248 20 0 CBADLP C[C@@H]1CN(CC[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)CCO1 ZINC001262563981 826709828 /nfs/dbraw/zinc/70/98/28/826709828.db2.gz URKBJDYIBKMITA-OCCSQVGLSA-N 2 2 271.405 -0.248 20 0 CBADLP C[C@@H](CC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1)[NH+](C)C ZINC001262565534 826710415 /nfs/dbraw/zinc/71/04/15/826710415.db2.gz OGCFPJWNXMIUIS-KBPBESRZSA-N 3 2 272.437 -0.476 20 0 CBADLP C[N@H+](C[C@@H](O)C[NH2+]CCN1C[C@H]2CC[C@@H](C1)O2)C1CC1 ZINC001262568102 826711654 /nfs/dbraw/zinc/71/16/54/826711654.db2.gz LVOWJGRAQSIHPI-SOUVJXGZSA-N 2 2 283.416 -0.106 20 0 CBADLP C[N@@H+](C[C@@H](O)C[NH2+]CCN1C[C@H]2CC[C@@H](C1)O2)C1CC1 ZINC001262568102 826711658 /nfs/dbraw/zinc/71/16/58/826711658.db2.gz LVOWJGRAQSIHPI-SOUVJXGZSA-N 2 2 283.416 -0.106 20 0 CBADLP [NH3+][C@H](CNC(=O)NCC[NH+]1CCC([NH3+])CC1)C1CC1 ZINC001262584938 826713647 /nfs/dbraw/zinc/71/36/47/826713647.db2.gz OLBWARPZNMFSRS-GFCCVEGCSA-N 3 2 269.393 -0.554 20 0 CBADLP C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1c1cc[nH+]c(N)n1 ZINC001262699608 826723600 /nfs/dbraw/zinc/72/36/00/826723600.db2.gz GCCVBMWPBMRDNG-VHSXEESVSA-N 2 2 251.334 -0.050 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001263108473 826739190 /nfs/dbraw/zinc/73/91/90/826739190.db2.gz YKBQMGFIQWUUMQ-NSHDSACASA-N 2 2 263.345 -0.542 20 0 CBADLP C[NH2+]CC(=O)N[C@H]1CCc2c([nH+]c(C)n2CCO)C1 ZINC001263148477 826743683 /nfs/dbraw/zinc/74/36/83/826743683.db2.gz DLFCAFZRJGLQEV-JTQLQIEISA-N 2 2 266.345 -0.623 20 0 CBADLP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCc1c[nH+]cn1C ZINC001263858094 826786393 /nfs/dbraw/zinc/78/63/93/826786393.db2.gz VXJQUJMKHFSKJW-ZYHUDNBSSA-N 2 2 263.345 -0.575 20 0 CBADLP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCc1c[nH+]cn1C ZINC001263858094 826786397 /nfs/dbraw/zinc/78/63/97/826786397.db2.gz VXJQUJMKHFSKJW-ZYHUDNBSSA-N 2 2 263.345 -0.575 20 0 CBADLP C[C@H](O)C[N@@H+]1CC[C@H]1CN(C)C(=O)Cn1cc[nH+]c1 ZINC001264382395 826805738 /nfs/dbraw/zinc/80/57/38/826805738.db2.gz JPJJFHLWBOUIDR-RYUDHWBXSA-N 2 2 266.345 -0.203 20 0 CBADLP C[C@H](O)C[N@H+]1CC[C@H]1CN(C)C(=O)Cn1cc[nH+]c1 ZINC001264382395 826805749 /nfs/dbraw/zinc/80/57/49/826805749.db2.gz JPJJFHLWBOUIDR-RYUDHWBXSA-N 2 2 266.345 -0.203 20 0 CBADLP C[C@H](O)C[N@H+](C)CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001265040639 826837700 /nfs/dbraw/zinc/83/77/00/826837700.db2.gz DKLIEZGTVSSXSV-JTQLQIEISA-N 2 2 254.334 -0.229 20 0 CBADLP C[C@H](O)C[N@@H+](C)CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001265040639 826837712 /nfs/dbraw/zinc/83/77/12/826837712.db2.gz DKLIEZGTVSSXSV-JTQLQIEISA-N 2 2 254.334 -0.229 20 0 CBADLP C[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001265489704 826900146 /nfs/dbraw/zinc/90/01/46/826900146.db2.gz PPKLLPAXTTXSEI-IJLUTSLNSA-N 2 2 266.345 -0.109 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)[NH2+]CCO ZINC001265792188 826920228 /nfs/dbraw/zinc/92/02/28/826920228.db2.gz JEVMIAJIUYJYKA-QWRGUYRKSA-N 2 2 266.345 -0.468 20 0 CBADLP C[N@H+](CCO)CCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001265877269 826933228 /nfs/dbraw/zinc/93/32/28/826933228.db2.gz DSIQQFKVQJRSLZ-GFCCVEGCSA-N 2 2 280.372 -0.124 20 0 CBADLP C[N@@H+](CCO)CCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001265877269 826933233 /nfs/dbraw/zinc/93/32/33/826933233.db2.gz DSIQQFKVQJRSLZ-GFCCVEGCSA-N 2 2 280.372 -0.124 20 0 CBADLP C[C@H](O)C[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001266018294 826947714 /nfs/dbraw/zinc/94/77/14/826947714.db2.gz NVQKRFCOCZBQBL-QWRGUYRKSA-N 2 2 266.345 -0.229 20 0 CBADLP C[C@H](CCNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@@H](C)C(N)=O ZINC001266180636 826960546 /nfs/dbraw/zinc/96/05/46/826960546.db2.gz KJVFYVLJIIOYMO-BDAKNGLRSA-N 2 2 267.333 -0.690 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC[C@H]([NH2+]CCO)C1CC1 ZINC001266439949 827001315 /nfs/dbraw/zinc/00/13/15/827001315.db2.gz ZYKSELGGAQFADB-LBPRGKRZSA-N 2 2 266.345 -0.561 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]([NH2+]CCCO)C1 ZINC001266562395 827023035 /nfs/dbraw/zinc/02/30/35/827023035.db2.gz ZTNYOBFWKGUJLS-NSHDSACASA-N 2 2 266.345 -0.166 20 0 CBADLP CCN(C)C(=O)C[NH2+]CCN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001266720201 827058933 /nfs/dbraw/zinc/05/89/33/827058933.db2.gz AABGXANDQZAJLV-UHFFFAOYSA-N 2 2 295.387 -0.131 20 0 CBADLP C[C@@H](O)C[NH2+]CCN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001266749415 827063525 /nfs/dbraw/zinc/06/35/25/827063525.db2.gz SNWNEAAJJDILPY-VXGBXAGGSA-N 2 2 280.372 -0.126 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)[NH2+]CCCO ZINC001266947936 827095451 /nfs/dbraw/zinc/09/54/51/827095451.db2.gz FFUFPSUNOMHPFM-NWDGAFQWSA-N 2 2 280.372 -0.078 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H]1CC[N@@H+](CCO)C1 ZINC001267303493 827144786 /nfs/dbraw/zinc/14/47/86/827144786.db2.gz NHIANTXXEVQCDO-SNVBAGLBSA-N 2 2 252.318 -0.617 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H]1CC[N@H+](CCO)C1 ZINC001267303493 827144790 /nfs/dbraw/zinc/14/47/90/827144790.db2.gz NHIANTXXEVQCDO-SNVBAGLBSA-N 2 2 252.318 -0.617 20 0 CBADLP CN(CC[NH2+]CCO)C(=O)CCc1[nH+]ccn1C ZINC001267406721 827165636 /nfs/dbraw/zinc/16/56/36/827165636.db2.gz CTPHTPDVPZLLAH-UHFFFAOYSA-N 2 2 254.334 -0.607 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)NC2C[NH+](CCCCOC)C2)C1 ZINC001267669952 827193533 /nfs/dbraw/zinc/19/35/33/827193533.db2.gz MVCDXXGBEWFWDK-AWEZNQCLSA-N 2 2 299.415 -0.066 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)NC2C[NH+](CCCCOC)C2)C1 ZINC001267669952 827193538 /nfs/dbraw/zinc/19/35/38/827193538.db2.gz MVCDXXGBEWFWDK-AWEZNQCLSA-N 2 2 299.415 -0.066 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)N[C@H]1CC[N@H+](CCO)C1 ZINC001267727776 827208496 /nfs/dbraw/zinc/20/84/96/827208496.db2.gz VKKFMBCFGSGJDK-NSHDSACASA-N 2 2 266.345 -0.465 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)N[C@H]1CC[N@@H+](CCO)C1 ZINC001267727776 827208502 /nfs/dbraw/zinc/20/85/02/827208502.db2.gz VKKFMBCFGSGJDK-NSHDSACASA-N 2 2 266.345 -0.465 20 0 CBADLP NC(=O)C[NH2+]CC[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001267900384 827231913 /nfs/dbraw/zinc/23/19/13/827231913.db2.gz GIYZRAPORAZPSH-GFCCVEGCSA-N 2 2 293.371 -0.413 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)C[NH2+]CC(N)=O ZINC001268013144 827240737 /nfs/dbraw/zinc/24/07/37/827240737.db2.gz VMAQSRNMQSWCOP-MRVPVSSYSA-N 2 2 267.333 -0.912 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](O)C[NH2+]CCF ZINC001268331742 827306313 /nfs/dbraw/zinc/30/63/13/827306313.db2.gz KLGAIOZSPXVTFC-SECBINFHSA-N 2 2 258.297 -0.703 20 0 CBADLP C[C@H](F)CC[NH2+]C[C@@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001268336267 827307533 /nfs/dbraw/zinc/30/75/33/827307533.db2.gz CXNKVMANJAVDCO-WDEREUQCSA-N 2 2 272.324 -0.302 20 0 CBADLP CNC(=O)C[NH2+]CC[C@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001268387871 827319143 /nfs/dbraw/zinc/31/91/43/827319143.db2.gz QVUQNBZFUBFFAO-NSHDSACASA-N 2 2 295.387 -0.417 20 0 CBADLP Cn1ncnc1C[NH2+]C/C=C/CNC(=O)CC[NH+](C)C ZINC001268586030 827373191 /nfs/dbraw/zinc/37/31/91/827373191.db2.gz CVFLYTRWEJPIIF-SNAWJCMRSA-N 2 2 280.376 -0.471 20 0 CBADLP C[C@@H](C[NH2+]CC(=O)N(C)C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001268706047 827407148 /nfs/dbraw/zinc/40/71/48/827407148.db2.gz SOTPICDMGRYAOW-VIFPVBQESA-N 2 2 267.333 -0.865 20 0 CBADLP C[C@H](C(N)=O)[N@@H+](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001268760724 827418508 /nfs/dbraw/zinc/41/85/08/827418508.db2.gz XFDZOIUPENMXFK-VHSXEESVSA-N 2 2 267.333 -0.807 20 0 CBADLP C[C@H](C(N)=O)[N@H+](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001268760724 827418511 /nfs/dbraw/zinc/41/85/11/827418511.db2.gz XFDZOIUPENMXFK-VHSXEESVSA-N 2 2 267.333 -0.807 20 0 CBADLP CN(CCC[NH2+]Cc1cnnn1C)C(=O)Cc1[nH]cc[nH+]1 ZINC001268893866 827438025 /nfs/dbraw/zinc/43/80/25/827438025.db2.gz JGAKODTUFLQWMM-UHFFFAOYSA-N 2 2 291.359 -0.281 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H](C[NH2+]CCCO)C1CC1 ZINC001269119854 827466122 /nfs/dbraw/zinc/46/61/22/827466122.db2.gz CTEKBFRDISKNPH-LBPRGKRZSA-N 2 2 266.345 -0.181 20 0 CBADLP COCCOCC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001269203539 827476000 /nfs/dbraw/zinc/47/60/00/827476000.db2.gz VCSZXVHPQHCKMM-CYBMUJFWSA-N 2 2 296.371 -0.263 20 0 CBADLP COCCOCC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001269203539 827476006 /nfs/dbraw/zinc/47/60/06/827476006.db2.gz VCSZXVHPQHCKMM-CYBMUJFWSA-N 2 2 296.371 -0.263 20 0 CBADLP C[NH+](C)CCCCC(=O)NC[C@H]1CC[N@@H+]1[C@@H]1CCNC1=O ZINC001269330822 827493871 /nfs/dbraw/zinc/49/38/71/827493871.db2.gz FITFSJSTYAHORW-CHWSQXEVSA-N 2 2 296.415 -0.203 20 0 CBADLP C[NH+](C)CCCCC(=O)NC[C@H]1CC[N@H+]1[C@@H]1CCNC1=O ZINC001269330822 827493875 /nfs/dbraw/zinc/49/38/75/827493875.db2.gz FITFSJSTYAHORW-CHWSQXEVSA-N 2 2 296.415 -0.203 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@](C)(C[NH2+]CCCO)C2CC2)C1 ZINC001269605856 827521894 /nfs/dbraw/zinc/52/18/94/827521894.db2.gz JPZIKVVOFJPBDT-ZFWWWQNUSA-N 2 2 299.415 -0.426 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N[C@@](C)(C[NH2+]CCCO)C2CC2)C1 ZINC001269605856 827521899 /nfs/dbraw/zinc/52/18/99/827521899.db2.gz JPZIKVVOFJPBDT-ZFWWWQNUSA-N 2 2 299.415 -0.426 20 0 CBADLP C[NH+](C)CCN1CC2(C1)CN(C(=O)Cn1cc[nH+]c1)C2 ZINC001269841926 827534064 /nfs/dbraw/zinc/53/40/64/827534064.db2.gz DEVHGAIEAMGFNW-UHFFFAOYSA-N 2 2 277.372 -0.411 20 0 CBADLP COCCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001270027120 827542469 /nfs/dbraw/zinc/54/24/69/827542469.db2.gz HSTWUGWEJFNMMH-KGLIPLIRSA-N 2 2 299.415 -0.066 20 0 CBADLP COCCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001270027120 827542475 /nfs/dbraw/zinc/54/24/75/827542475.db2.gz HSTWUGWEJFNMMH-KGLIPLIRSA-N 2 2 299.415 -0.066 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N1CCC[C@H]1C[NH2+]CCO ZINC001270159259 827551063 /nfs/dbraw/zinc/55/10/63/827551063.db2.gz PSURYHSMHNCFDX-JTQLQIEISA-N 2 2 252.318 -0.475 20 0 CBADLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N2C(=O)Cc1c[nH+]c[nH]1 ZINC001270179741 827553143 /nfs/dbraw/zinc/55/31/43/827553143.db2.gz NUOAPCHRWMVYSN-BETUJISGSA-N 2 2 277.372 -0.201 20 0 CBADLP C[C@H](CNC(=O)CCc1[nH+]ccn1C)C[NH2+]CCO ZINC001270471578 827570113 /nfs/dbraw/zinc/57/01/13/827570113.db2.gz VBLOXJQCLGRNPK-NSHDSACASA-N 2 2 268.361 -0.313 20 0 CBADLP C[N@@H+]1CCC12CN(C(=O)CN1CC[NH+](C)CC1)C2 ZINC001270702921 827590043 /nfs/dbraw/zinc/59/00/43/827590043.db2.gz YQWKTTHQWXEDTM-UHFFFAOYSA-N 2 2 252.362 -0.850 20 0 CBADLP C[N@H+]1CCC12CN(C(=O)CN1CC[NH+](C)CC1)C2 ZINC001270702921 827590044 /nfs/dbraw/zinc/59/00/44/827590044.db2.gz YQWKTTHQWXEDTM-UHFFFAOYSA-N 2 2 252.362 -0.850 20 0 CBADLP C[NH+]1CCO[C@@]2(CCCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC001270978049 827611565 /nfs/dbraw/zinc/61/15/65/827611565.db2.gz UBKLAGHEYLMDNU-ZFWWWQNUSA-N 2 2 297.399 -0.360 20 0 CBADLP C[NH+]1CCO[C@@]2(CCCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001270978049 827611575 /nfs/dbraw/zinc/61/15/75/827611575.db2.gz UBKLAGHEYLMDNU-ZFWWWQNUSA-N 2 2 297.399 -0.360 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N2CCC[C@@]3(C2)C[N@H+](C)CCO3)C1 ZINC001270978049 827611579 /nfs/dbraw/zinc/61/15/79/827611579.db2.gz UBKLAGHEYLMDNU-ZFWWWQNUSA-N 2 2 297.399 -0.360 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N2CCC[C@@]3(C2)C[N@@H+](C)CCO3)C1 ZINC001270978049 827611581 /nfs/dbraw/zinc/61/15/81/827611581.db2.gz UBKLAGHEYLMDNU-ZFWWWQNUSA-N 2 2 297.399 -0.360 20 0 CBADLP C[NH+]1CCO[C@@]2(CCCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC001270978046 827611857 /nfs/dbraw/zinc/61/18/57/827611857.db2.gz UBKLAGHEYLMDNU-HIFRSBDPSA-N 2 2 297.399 -0.360 20 0 CBADLP C[NH+]1CCO[C@@]2(CCCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001270978046 827611862 /nfs/dbraw/zinc/61/18/62/827611862.db2.gz UBKLAGHEYLMDNU-HIFRSBDPSA-N 2 2 297.399 -0.360 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)N2CCC[C@@]3(C2)C[N@H+](C)CCO3)C1 ZINC001270978046 827611866 /nfs/dbraw/zinc/61/18/66/827611866.db2.gz UBKLAGHEYLMDNU-HIFRSBDPSA-N 2 2 297.399 -0.360 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)N2CCC[C@@]3(C2)C[N@@H+](C)CCO3)C1 ZINC001270978046 827611870 /nfs/dbraw/zinc/61/18/70/827611870.db2.gz UBKLAGHEYLMDNU-HIFRSBDPSA-N 2 2 297.399 -0.360 20 0 CBADLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N2C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001270979103 827612404 /nfs/dbraw/zinc/61/24/04/827612404.db2.gz DAZKZHRVUWJYIL-MJBXVCDLSA-N 2 2 296.415 -0.836 20 0 CBADLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N2C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001270979103 827612410 /nfs/dbraw/zinc/61/24/10/827612410.db2.gz DAZKZHRVUWJYIL-MJBXVCDLSA-N 2 2 296.415 -0.836 20 0 CBADLP CC(C)[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CCO ZINC001271901602 827734168 /nfs/dbraw/zinc/73/41/68/827734168.db2.gz OTKXOTPYHHURRP-LLVKDONJSA-N 2 2 254.334 -0.325 20 0 CBADLP CN1CC[NH+](CCCC(=O)N2CC3(C2)C[NH+](C)C3)CC1 ZINC001272017959 827750455 /nfs/dbraw/zinc/75/04/55/827750455.db2.gz HHLHJZYEIHGVIP-UHFFFAOYSA-N 2 2 280.416 -0.212 20 0 CBADLP C[NH+]1CC2(CN(C(=O)CCCN3CC[NH+](C)CC3)C2)C1 ZINC001272017959 827750460 /nfs/dbraw/zinc/75/04/60/827750460.db2.gz HHLHJZYEIHGVIP-UHFFFAOYSA-N 2 2 280.416 -0.212 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)NC[C@H](O)C[NH2+]CCF ZINC001272479731 827804682 /nfs/dbraw/zinc/80/46/82/827804682.db2.gz QJJAKXZLGHPTKV-SNVBAGLBSA-N 2 2 272.324 -0.611 20 0 CBADLP CC(C)C[NH2+]C[C@@H](O)CNC(=O)CCn1cc[nH+]c1 ZINC001272488859 827806604 /nfs/dbraw/zinc/80/66/04/827806604.db2.gz VEZYIIZWIIRBSP-GFCCVEGCSA-N 2 2 268.361 -0.004 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H](O)C[NH2+]CC1CCC1 ZINC001272552082 827819428 /nfs/dbraw/zinc/81/94/28/827819428.db2.gz BDEGPPWUTDBWBZ-LLVKDONJSA-N 2 2 266.345 -0.181 20 0 CBADLP C[C@H](F)CC[NH2+]C[C@@H](O)CNC(=O)Cc1c[nH+]cn1C ZINC001272560361 827820501 /nfs/dbraw/zinc/82/05/01/827820501.db2.gz PNIRWECFHDXDHG-CMPLNLGQSA-N 2 2 286.351 -0.223 20 0 CBADLP C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CC[C@@H](O)C1 ZINC001273070667 827861437 /nfs/dbraw/zinc/86/14/37/827861437.db2.gz ZIZWOLLYNHEDNX-GRYCIOLGSA-N 2 2 253.346 -0.642 20 0 CBADLP C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CC[C@@H](O)C1 ZINC001273070667 827861446 /nfs/dbraw/zinc/86/14/46/827861446.db2.gz ZIZWOLLYNHEDNX-GRYCIOLGSA-N 2 2 253.346 -0.642 20 0 CBADLP C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+]1CC[C@@H](O)C1 ZINC001273070667 827861453 /nfs/dbraw/zinc/86/14/53/827861453.db2.gz ZIZWOLLYNHEDNX-GRYCIOLGSA-N 2 2 253.346 -0.642 20 0 CBADLP C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+]1CC[C@@H](O)C1 ZINC001273070667 827861460 /nfs/dbraw/zinc/86/14/60/827861460.db2.gz ZIZWOLLYNHEDNX-GRYCIOLGSA-N 2 2 253.346 -0.642 20 0 CBADLP CN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC3)[C@@H]2C1 ZINC001273363811 827893765 /nfs/dbraw/zinc/89/37/65/827893765.db2.gz PRNZUARSPMVZAF-QWHCGFSZSA-N 2 2 294.399 -0.687 20 0 CBADLP CN(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC3)[C@@H]2C1 ZINC001273363811 827893774 /nfs/dbraw/zinc/89/37/74/827893774.db2.gz PRNZUARSPMVZAF-QWHCGFSZSA-N 2 2 294.399 -0.687 20 0 CBADLP C[N@@H+]1CCN(C(=O)C[NH+]2CCC2)C[C@]2(CCCC(=O)N2)C1 ZINC001273364007 827895160 /nfs/dbraw/zinc/89/51/60/827895160.db2.gz UFJNLFAOQFABPB-HNNXBMFYSA-N 2 2 294.399 -0.495 20 0 CBADLP C[N@H+]1CCN(C(=O)C[NH+]2CCC2)C[C@]2(CCCC(=O)N2)C1 ZINC001273364007 827895163 /nfs/dbraw/zinc/89/51/63/827895163.db2.gz UFJNLFAOQFABPB-HNNXBMFYSA-N 2 2 294.399 -0.495 20 0 CBADLP CCN(CC[NH2+]CC(N)=O)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001273465764 827901061 /nfs/dbraw/zinc/90/10/61/827901061.db2.gz CXDMDTUKKMMNRZ-NSHDSACASA-N 2 2 293.371 -0.631 20 0 CBADLP NC(=O)C[N@@H+]1CC[C@@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001274061872 827963029 /nfs/dbraw/zinc/96/30/29/827963029.db2.gz JEJCRKSJKUUWDH-CQSZACIVSA-N 2 2 291.355 -0.707 20 0 CBADLP NC(=O)C[N@H+]1CC[C@@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001274061872 827963033 /nfs/dbraw/zinc/96/30/33/827963033.db2.gz JEJCRKSJKUUWDH-CQSZACIVSA-N 2 2 291.355 -0.707 20 0 CBADLP C[NH+](C)CCN1CC[C@@]2(CC[N@H+](Cc3nnc[nH]3)C2)C1=O ZINC001274355693 827985382 /nfs/dbraw/zinc/98/53/82/827985382.db2.gz JEBRTGDTYKCUAT-CQSZACIVSA-N 2 2 292.387 -0.209 20 0 CBADLP C[NH+](C)CCN1CC[C@@]2(CC[N@@H+](Cc3nnc[nH]3)C2)C1=O ZINC001274355693 827985389 /nfs/dbraw/zinc/98/53/89/827985389.db2.gz JEBRTGDTYKCUAT-CQSZACIVSA-N 2 2 292.387 -0.209 20 0 CBADLP CN(C)C(=O)C[NH2+]C/C=C\CNC(=O)Cc1c[nH+]cn1C ZINC001274497976 827995072 /nfs/dbraw/zinc/99/50/72/827995072.db2.gz BNUGDMAVYPGBSS-PLNGDYQASA-N 2 2 293.371 -0.687 20 0 CBADLP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CC[C@@]2(C1)CN(C)C(=O)CO2 ZINC001274655472 828015819 /nfs/dbraw/zinc/01/58/19/828015819.db2.gz KXVKGLWYKRJMFP-HIFRSBDPSA-N 2 2 299.415 -0.378 20 0 CBADLP CC[NH+](CC)C[C@@H](O)C[N@H+]1CC[C@@]2(C1)CN(C)C(=O)CO2 ZINC001274655472 828015828 /nfs/dbraw/zinc/01/58/28/828015828.db2.gz KXVKGLWYKRJMFP-HIFRSBDPSA-N 2 2 299.415 -0.378 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C[NH2+]CCCO ZINC001275422656 828086483 /nfs/dbraw/zinc/08/64/83/828086483.db2.gz XYQPENFASTYVIM-VIFPVBQESA-N 2 2 254.334 -0.263 20 0 CBADLP C[C@H]([NH2+]CCCN(C)C(=O)Cc1c[nH+]c[nH]1)C(N)=O ZINC001276245642 828139281 /nfs/dbraw/zinc/13/92/81/828139281.db2.gz QSEDEEYKNRPVMI-VIFPVBQESA-N 2 2 267.333 -0.736 20 0 CBADLP C[C@H]([NH2+]CCCN(C)C(=O)Cn1cc[nH+]c1)C(=O)N(C)C ZINC001276410689 828145526 /nfs/dbraw/zinc/14/55/26/828145526.db2.gz IIZRMIXIFDNHPH-LBPRGKRZSA-N 2 2 295.387 -0.202 20 0 CBADLP C[NH+](C)CCN1CCO[C@H]2C[N@H+](Cc3cnccn3)C[C@@H]21 ZINC001276734043 828157870 /nfs/dbraw/zinc/15/78/70/828157870.db2.gz HDFQTBCFVUSTGQ-GJZGRUSLSA-N 2 2 291.399 -0.077 20 0 CBADLP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](Cc3cnccn3)C[C@@H]21 ZINC001276734043 828157872 /nfs/dbraw/zinc/15/78/72/828157872.db2.gz HDFQTBCFVUSTGQ-GJZGRUSLSA-N 2 2 291.399 -0.077 20 0 CBADLP C[C@H](O)C[NH2+]C[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001277092565 828175017 /nfs/dbraw/zinc/17/50/17/828175017.db2.gz HBRXVQVKYLOAJR-SRVKXCTJSA-N 2 2 266.345 -0.252 20 0 CBADLP C[NH+](C)CCN1CCO[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001277630032 828198504 /nfs/dbraw/zinc/19/85/04/828198504.db2.gz AWIASRWEDIRURZ-KGLIPLIRSA-N 2 2 296.415 -0.788 20 0 CBADLP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]21 ZINC001277630032 828198507 /nfs/dbraw/zinc/19/85/07/828198507.db2.gz AWIASRWEDIRURZ-KGLIPLIRSA-N 2 2 296.415 -0.788 20 0 CBADLP C[NH+](C)CCN1CCO[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@@H]21 ZINC001277630029 828198920 /nfs/dbraw/zinc/19/89/20/828198920.db2.gz AWIASRWEDIRURZ-KBPBESRZSA-N 2 2 296.415 -0.788 20 0 CBADLP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@@H]21 ZINC001277630029 828198921 /nfs/dbraw/zinc/19/89/21/828198921.db2.gz AWIASRWEDIRURZ-KBPBESRZSA-N 2 2 296.415 -0.788 20 0 CBADLP CC[C@@H](C(=O)N(C)C1C[NH+](C[C@@H](C)O)C1)[NH+](C)C ZINC001277660098 828202529 /nfs/dbraw/zinc/20/25/29/828202529.db2.gz NXOCYZREZINWAE-PWSUYJOCSA-N 2 2 257.378 -0.150 20 0 CBADLP CCC(=O)C[N@H+]1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001277853090 828214087 /nfs/dbraw/zinc/21/40/87/828214087.db2.gz MOXUWCMADAAJCK-KGLIPLIRSA-N 2 2 269.389 -0.088 20 0 CBADLP CCC(=O)C[N@@H+]1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001277853090 828214088 /nfs/dbraw/zinc/21/40/88/828214088.db2.gz MOXUWCMADAAJCK-KGLIPLIRSA-N 2 2 269.389 -0.088 20 0 CBADLP C[C@@H](O)C[N@H+]1C[C@@H]2[C@H](C1)OCCN2CCn1cc[nH+]c1 ZINC001277960443 828221999 /nfs/dbraw/zinc/22/19/99/828221999.db2.gz IYBWMJYLMWQNRR-MCIONIFRSA-N 2 2 280.372 -0.351 20 0 CBADLP C[C@@H](O)C[N@@H+]1C[C@@H]2[C@H](C1)OCCN2CCn1cc[nH+]c1 ZINC001277960443 828222005 /nfs/dbraw/zinc/22/20/05/828222005.db2.gz IYBWMJYLMWQNRR-MCIONIFRSA-N 2 2 280.372 -0.351 20 0 CBADLP C[NH+](C)CCN1C[C@@H]2COC[C@H](C1)[N@@H+]2CC(C)(C)CO ZINC001277967978 828223837 /nfs/dbraw/zinc/22/38/37/828223837.db2.gz NWMLFRFBEAXFKH-OKILXGFUSA-N 2 2 285.432 -0.049 20 0 CBADLP C[NH+](C)CCN1C[C@@H]2COC[C@H](C1)[N@H+]2CC(C)(C)CO ZINC001277967978 828223839 /nfs/dbraw/zinc/22/38/39/828223839.db2.gz NWMLFRFBEAXFKH-OKILXGFUSA-N 2 2 285.432 -0.049 20 0 CBADLP CNC(=O)C[N@H+]1C[C@H]2CC[C@@H](C1)N2CC[NH+](C)C ZINC001278012847 828230780 /nfs/dbraw/zinc/23/07/80/828230780.db2.gz IUEOGQUGDKXDFQ-TXEJJXNPSA-N 2 2 254.378 -0.557 20 0 CBADLP CNC(=O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2CC[NH+](C)C ZINC001278012847 828230785 /nfs/dbraw/zinc/23/07/85/828230785.db2.gz IUEOGQUGDKXDFQ-TXEJJXNPSA-N 2 2 254.378 -0.557 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CCC[C@@H]1C[NH2+]CCO ZINC001278015416 828231836 /nfs/dbraw/zinc/23/18/36/828231836.db2.gz FJCXIIUWWPWNGJ-LLVKDONJSA-N 2 2 252.318 -0.544 20 0 CBADLP O=C(CCn1cc[nH+]c1)NC[C@@H](CO)[NH2+]CC1CC1 ZINC001278119829 828250777 /nfs/dbraw/zinc/25/07/77/828250777.db2.gz PLUAOVYCCRNROR-LBPRGKRZSA-N 2 2 266.345 -0.250 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](CO)[NH2+]C(C)C ZINC001278187424 828256369 /nfs/dbraw/zinc/25/63/69/828256369.db2.gz QCAVLVNSRHWUMY-JTQLQIEISA-N 2 2 254.334 -0.264 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](CO)[NH2+]C(C)C ZINC001278187429 828256854 /nfs/dbraw/zinc/25/68/54/828256854.db2.gz QCAVLVNSRHWUMY-SNVBAGLBSA-N 2 2 254.334 -0.264 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@]1(C)CC[N@H+](CCO)C1 ZINC001278437497 828269980 /nfs/dbraw/zinc/26/99/80/828269980.db2.gz DMZORLSKQWXMBK-CYBMUJFWSA-N 2 2 266.345 -0.166 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@]1(C)CC[N@@H+](CCO)C1 ZINC001278437497 828269984 /nfs/dbraw/zinc/26/99/84/828269984.db2.gz DMZORLSKQWXMBK-CYBMUJFWSA-N 2 2 266.345 -0.166 20 0 CBADLP CC[NH+]1CC(O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001278923145 828311300 /nfs/dbraw/zinc/31/13/00/828311300.db2.gz WSJAMWLOVLXFAS-UHFFFAOYSA-N 2 2 253.346 -0.735 20 0 CBADLP C[C@H]([NH2+]CCO)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001279025277 828313567 /nfs/dbraw/zinc/31/35/67/828313567.db2.gz NFQGUTBRCJBSCR-WDEREUQCSA-N 2 2 266.345 -0.229 20 0 CBADLP C[C@@H]([NH2+]CCO)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001279025274 828313849 /nfs/dbraw/zinc/31/38/49/828313849.db2.gz NFQGUTBRCJBSCR-GHMZBOCLSA-N 2 2 266.345 -0.229 20 0 CBADLP C[C@@H]([NH2+]CCO)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001279025275 828314571 /nfs/dbraw/zinc/31/45/71/828314571.db2.gz NFQGUTBRCJBSCR-MNOVXSKESA-N 2 2 266.345 -0.229 20 0 CBADLP [NH3+]Cc1nccnc1N1CC[NH+]([C@H]2CCOC2)CC1 ZINC001348051685 890554004 /nfs/dbraw/zinc/55/40/04/890554004.db2.gz JPACRLKJEQWGKR-NSHDSACASA-N 2 2 263.345 -0.154 20 0 CBADLP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CC[NH+](C)CC1 ZINC001350733077 891033200 /nfs/dbraw/zinc/03/32/00/891033200.db2.gz QCGANOGZNFPGCD-NEPJUHHUSA-N 2 2 252.362 -0.851 20 0 CBADLP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CC[NH+](C)CC1 ZINC001350733077 891033209 /nfs/dbraw/zinc/03/32/09/891033209.db2.gz QCGANOGZNFPGCD-NEPJUHHUSA-N 2 2 252.362 -0.851 20 0 CBADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)C[C@@H](O)C[NH2+]CCF ZINC001278817062 884820224 /nfs/dbraw/zinc/82/02/24/884820224.db2.gz MHAPOGUCASWEIS-JQWIXIFHSA-N 2 2 286.351 -0.033 20 0 CBADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)C[C@@H](O)C[NH2+]CCF ZINC001278817062 884820238 /nfs/dbraw/zinc/82/02/38/884820238.db2.gz MHAPOGUCASWEIS-JQWIXIFHSA-N 2 2 286.351 -0.033 20 0 CBADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)C[NH2+]C1CC1 ZINC001328452555 885690032 /nfs/dbraw/zinc/69/00/32/885690032.db2.gz XJVSBNVYOFSSNT-SNVBAGLBSA-N 2 2 255.318 -0.898 20 0 CBADLP CC[C@H]([NH3+])C(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC001329593524 886133621 /nfs/dbraw/zinc/13/36/21/886133621.db2.gz PRIDAOSYDKJCIQ-ZDUSSCGKSA-N 2 2 268.405 -0.038 20 0 CBADLP O=C1CC[C@@H](C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)N1 ZINC001330581359 886488109 /nfs/dbraw/zinc/48/81/09/886488109.db2.gz JQUZFSYRUAEHLB-AAEUAGOBSA-N 2 2 267.373 -0.204 20 0 CBADLP O=C1CC[C@@H](C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)N1 ZINC001330581359 886488113 /nfs/dbraw/zinc/48/81/13/886488113.db2.gz JQUZFSYRUAEHLB-AAEUAGOBSA-N 2 2 267.373 -0.204 20 0 CBADLP CC(=O)NC[C@H]1CCC[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC001330585277 886490251 /nfs/dbraw/zinc/49/02/51/886490251.db2.gz VLIQACBNCJXFOV-CHWSQXEVSA-N 2 2 255.362 -0.177 20 0 CBADLP Cn1c[nH+]cc1CC[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001330832677 886587477 /nfs/dbraw/zinc/58/74/77/886587477.db2.gz RXXRGXMTNQJUJA-AWEZNQCLSA-N 3 2 263.389 -0.058 20 0 CBADLP C[NH+]1CCN(C2CN(C(=O)Cn3cc[nH+]c3)C2)CC1 ZINC001334935321 888365333 /nfs/dbraw/zinc/36/53/33/888365333.db2.gz MHTWWLSQMVRQFG-UHFFFAOYSA-N 2 2 263.345 -0.659 20 0 CBADLP CN(CCCCO)C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001335620786 888585549 /nfs/dbraw/zinc/58/55/49/888585549.db2.gz AKYVNRQXZAPEAT-UHFFFAOYSA-N 2 2 272.393 -0.177 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2C[C@@H]2C[NH3+])[C@H](C)CO1 ZINC001340725011 889473795 /nfs/dbraw/zinc/47/37/95/889473795.db2.gz SIPGVZNPAVGUBH-DDHJBXDOSA-N 2 2 255.362 -0.193 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2C[C@@H]2C[NH3+])[C@H](C)CO1 ZINC001340725011 889473804 /nfs/dbraw/zinc/47/38/04/889473804.db2.gz SIPGVZNPAVGUBH-DDHJBXDOSA-N 2 2 255.362 -0.193 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)COCC(F)F)CC1 ZINC001341055643 889535465 /nfs/dbraw/zinc/53/54/65/889535465.db2.gz DRGVZJQEKUPIHH-UHFFFAOYSA-N 2 2 265.304 -0.193 20 0 CBADLP CNC(=O)[C@H](C)[NH+]1CC(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001443610727 912242508 /nfs/dbraw/zinc/24/25/08/912242508.db2.gz DLPXNGNUSLLYLA-NEPJUHHUSA-N 2 2 296.415 -0.489 20 0 CBADLP CNC(=O)[C@H](C)[NH+]1CC(CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001443610727 912242525 /nfs/dbraw/zinc/24/25/25/912242525.db2.gz DLPXNGNUSLLYLA-NEPJUHHUSA-N 2 2 296.415 -0.489 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1CC[N@H+](CCCO)C1 ZINC001443786083 912278795 /nfs/dbraw/zinc/27/87/95/912278795.db2.gz IXBGRLKSHUZQAM-GFCCVEGCSA-N 2 2 280.372 -0.074 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1CC[N@@H+](CCCO)C1 ZINC001443786083 912278807 /nfs/dbraw/zinc/27/88/07/912278807.db2.gz IXBGRLKSHUZQAM-GFCCVEGCSA-N 2 2 280.372 -0.074 20 0 CBADLP CC[C@@H](CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)[NH2+]CC(N)=O ZINC001444017542 912331924 /nfs/dbraw/zinc/33/19/24/912331924.db2.gz XKXUSGGLYQKZNX-ZJUUUORDSA-N 2 2 281.360 -0.442 20 0 CBADLP CC[C@@H](CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1)[NH2+]CC(N)=O ZINC001444017542 912331927 /nfs/dbraw/zinc/33/19/27/912331927.db2.gz XKXUSGGLYQKZNX-ZJUUUORDSA-N 2 2 281.360 -0.442 20 0 CBADLP C[C@H]([NH2+]CC1(NC(=O)Cc2c[nH]c[nH+]2)CCCC1)C(N)=O ZINC001444083983 912358943 /nfs/dbraw/zinc/35/89/43/912358943.db2.gz WHYOFWMLVJEYOY-JTQLQIEISA-N 2 2 293.371 -0.155 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)CC1CC([NH3+])C1 ZINC001343422177 889907470 /nfs/dbraw/zinc/90/74/70/889907470.db2.gz XGNYMDHQOJMVND-UNXYVOJBSA-N 2 2 255.362 -0.049 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)CC1CC([NH3+])C1 ZINC001343422177 889907483 /nfs/dbraw/zinc/90/74/83/889907483.db2.gz XGNYMDHQOJMVND-UNXYVOJBSA-N 2 2 255.362 -0.049 20 0 CBADLP C[C@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)C[NH2+]CC(N)=O ZINC001444329240 912427051 /nfs/dbraw/zinc/42/70/51/912427051.db2.gz UZRSPERZNRZFIA-QWRGUYRKSA-N 2 2 293.371 -0.727 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]C[C@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001444415881 912445871 /nfs/dbraw/zinc/44/58/71/912445871.db2.gz ATOQFTQQACJEQK-GXSJLCMTSA-N 2 2 295.387 -0.263 20 0 CBADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+][C@H]1CCN(C)C1=O ZINC001444415778 912446448 /nfs/dbraw/zinc/44/64/48/912446448.db2.gz ARTGDXIMKINABL-NEPJUHHUSA-N 2 2 293.371 -0.544 20 0 CBADLP C[C@H](C[NH2+]CC(=O)NC1CC1)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001444698995 912494582 /nfs/dbraw/zinc/49/45/82/912494582.db2.gz XGWNIWOFXXVEJT-SNVBAGLBSA-N 2 2 293.371 -0.333 20 0 CBADLP C[C@H](C[NH2+]CC(=O)N1CCC1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001444729101 912498922 /nfs/dbraw/zinc/49/89/22/912498922.db2.gz QEBRPYCQLFSLIX-GFCCVEGCSA-N 2 2 293.371 -0.448 20 0 CBADLP CNC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001444960984 912526280 /nfs/dbraw/zinc/52/62/80/912526280.db2.gz ZYRUYZIQTNJIIW-NSHDSACASA-N 2 2 270.377 -0.783 20 0 CBADLP CNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001444960984 912526293 /nfs/dbraw/zinc/52/62/93/912526293.db2.gz ZYRUYZIQTNJIIW-NSHDSACASA-N 2 2 270.377 -0.783 20 0 CBADLP CNC(=O)C[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001444960984 912526305 /nfs/dbraw/zinc/52/63/05/912526305.db2.gz ZYRUYZIQTNJIIW-NSHDSACASA-N 2 2 270.377 -0.783 20 0 CBADLP CNC(=O)C[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001444960984 912526319 /nfs/dbraw/zinc/52/63/19/912526319.db2.gz ZYRUYZIQTNJIIW-NSHDSACASA-N 2 2 270.377 -0.783 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CC(N)=O ZINC001445102081 912554115 /nfs/dbraw/zinc/55/41/15/912554115.db2.gz CJYYHGVXYGDVOI-ZYHUDNBSSA-N 2 2 293.371 -0.678 20 0 CBADLP C[N@H+](CC(=O)NC[C@H](O)C[NH2+]Cc1cnon1)C1CCC1 ZINC001445200651 912598397 /nfs/dbraw/zinc/59/83/97/912598397.db2.gz UFJZDBZEVRNISQ-GFCCVEGCSA-N 2 2 297.359 -0.879 20 0 CBADLP C[N@@H+](CC(=O)NC[C@H](O)C[NH2+]Cc1cnon1)C1CCC1 ZINC001445200651 912598413 /nfs/dbraw/zinc/59/84/13/912598413.db2.gz UFJZDBZEVRNISQ-GFCCVEGCSA-N 2 2 297.359 -0.879 20 0 CBADLP CC[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1ncc(C)o1)[NH+](C)C ZINC001445220743 912604363 /nfs/dbraw/zinc/60/43/63/912604363.db2.gz ZXGHTWQNJONMHT-VXGBXAGGSA-N 2 2 298.387 -0.110 20 0 CBADLP O=C(C[NH+]1CCCC1)NC[C@H](O)C[NH2+]Cc1cnsn1 ZINC001445267001 912617593 /nfs/dbraw/zinc/61/75/93/912617593.db2.gz IGLXSRBCUFZDKU-LLVKDONJSA-N 2 2 299.400 -0.799 20 0 CBADLP CC[C@@H](F)C[NH2+]C[C@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001445278210 912621503 /nfs/dbraw/zinc/62/15/03/912621503.db2.gz PRIOUDLRLGYYTK-ZJUUUORDSA-N 2 2 272.324 -0.233 20 0 CBADLP C[C@H](CC[NH2+][C@@H]1CCN(C)C1=O)NC(=O)Cc1c[nH]c[nH+]1 ZINC001445297307 912623995 /nfs/dbraw/zinc/62/39/95/912623995.db2.gz AFAZACJXSKSSGG-ZYHUDNBSSA-N 2 2 293.371 -0.333 20 0 CBADLP CC[C@@H]([NH2+]CC[C@@H](C)NC(=O)Cn1cc[nH+]c1)C(N)=O ZINC001445301451 912625230 /nfs/dbraw/zinc/62/52/30/912625230.db2.gz LEVQZCXFHQUXRW-GHMZBOCLSA-N 2 2 281.360 -0.369 20 0 CBADLP C[C@H](CC[NH2+][C@@H](C)C(N)=O)NC(=O)CCn1cc[nH+]c1 ZINC001445316843 912633168 /nfs/dbraw/zinc/63/31/68/912633168.db2.gz QWTUVNNOCYTOPN-MNOVXSKESA-N 2 2 281.360 -0.369 20 0 CBADLP C[C@@H](CC[NH2+][C@@H](C)C(N)=O)NC(=O)CCn1cc[nH+]c1 ZINC001445316847 912634932 /nfs/dbraw/zinc/63/49/32/912634932.db2.gz QWTUVNNOCYTOPN-QWRGUYRKSA-N 2 2 281.360 -0.369 20 0 CBADLP C[C@H](C[NH2+]Cc1cnns1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001445368434 912651110 /nfs/dbraw/zinc/65/11/10/912651110.db2.gz BJEQDFQASROECL-KOLCDFICSA-N 2 2 299.400 -0.537 20 0 CBADLP C[C@H](C[NH2+]Cc1cnns1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001445368434 912651117 /nfs/dbraw/zinc/65/11/17/912651117.db2.gz BJEQDFQASROECL-KOLCDFICSA-N 2 2 299.400 -0.537 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H](C)C[NH2+]Cc2ccon2)C1 ZINC001445493391 912675139 /nfs/dbraw/zinc/67/51/39/912675139.db2.gz CHZVABFGOYRLDH-DGCLKSJQSA-N 2 2 296.371 -0.010 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@H](C)C[NH2+]Cc2ccon2)C1 ZINC001445493391 912675152 /nfs/dbraw/zinc/67/51/52/912675152.db2.gz CHZVABFGOYRLDH-DGCLKSJQSA-N 2 2 296.371 -0.010 20 0 CBADLP C[C@@H](C[NH2+]CC(=O)NC(C)(C)C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001445622815 912715303 /nfs/dbraw/zinc/71/53/03/912715303.db2.gz INVDTVYLLZJRBX-JTQLQIEISA-N 2 2 295.387 -0.039 20 0 CBADLP C[C@@H](C[NH2+][C@H]1CCCNC1=O)NC(=O)Cc1[nH]cc[nH+]1 ZINC001445621964 912716410 /nfs/dbraw/zinc/71/64/10/912716410.db2.gz FZXBOAHQAFUNTH-UWVGGRQHSA-N 2 2 279.344 -0.675 20 0 CBADLP CC[C@H]([NH2+]C[C@H](NC(=O)Cc1c[nH]c[nH+]1)C1CC1)C(N)=O ZINC001445977554 912791596 /nfs/dbraw/zinc/79/15/96/912791596.db2.gz IBAHCSQIYMINKB-RYUDHWBXSA-N 2 2 293.371 -0.300 20 0 CBADLP Cn1cnnc1C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000150274810 884559194 /nfs/dbraw/zinc/55/91/94/884559194.db2.gz SOMLCCQFAKXDOA-JTQLQIEISA-N 2 2 266.349 -0.898 20 0 CBADLP Cn1cnnc1C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000150274810 884559204 /nfs/dbraw/zinc/55/92/04/884559204.db2.gz SOMLCCQFAKXDOA-JTQLQIEISA-N 2 2 266.349 -0.898 20 0 CBADLP CC(C)([NH3+])c1noc(C[N@@H+]2CC[C@](C)(C(N)=O)C2)n1 ZINC000232523018 884562846 /nfs/dbraw/zinc/56/28/46/884562846.db2.gz GPZVYUZDLNFFAI-LBPRGKRZSA-N 2 2 267.333 -0.039 20 0 CBADLP CC(C)([NH3+])c1noc(C[N@H+]2CC[C@](C)(C(N)=O)C2)n1 ZINC000232523018 884562860 /nfs/dbraw/zinc/56/28/60/884562860.db2.gz GPZVYUZDLNFFAI-LBPRGKRZSA-N 2 2 267.333 -0.039 20 0 CBADLP CNC(=O)C[NH2+]C1(CNC(=O)CCn2cc[nH+]c2)CC1 ZINC001446212379 912838699 /nfs/dbraw/zinc/83/86/99/912838699.db2.gz XGVGSDPCQRXQSB-UHFFFAOYSA-N 2 2 279.344 -0.742 20 0 CBADLP C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000868555901 884585024 /nfs/dbraw/zinc/58/50/24/884585024.db2.gz YDBVEYLSGVFPTP-UPJWGTAASA-N 2 2 294.355 -0.235 20 0 CBADLP C[N@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000868555901 884585039 /nfs/dbraw/zinc/58/50/39/884585039.db2.gz YDBVEYLSGVFPTP-UPJWGTAASA-N 2 2 294.355 -0.235 20 0 CBADLP O=C(NC[C@@H]1CC[N@@H+](CCO)C1)[C@H]1CCn2cc[nH+]c2C1 ZINC001028641638 884615700 /nfs/dbraw/zinc/61/57/00/884615700.db2.gz HWAQJGOFNVPUHG-STQMWFEESA-N 2 2 292.383 -0.124 20 0 CBADLP O=C(NC[C@@H]1CC[N@H+](CCO)C1)[C@H]1CCn2cc[nH+]c2C1 ZINC001028641638 884615713 /nfs/dbraw/zinc/61/57/13/884615713.db2.gz HWAQJGOFNVPUHG-STQMWFEESA-N 2 2 292.383 -0.124 20 0 CBADLP CN1CC[C@H]([NH2+]CCNC(=O)CCc2c[nH+]c[nH]2)C1=O ZINC001128972472 884668760 /nfs/dbraw/zinc/66/87/60/884668760.db2.gz BXNYGCXDBJZTQQ-NSHDSACASA-N 2 2 279.344 -0.721 20 0 CBADLP CCN(C)C(=O)C[NH2+]CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001128986102 884669066 /nfs/dbraw/zinc/66/90/66/884669066.db2.gz GXFZZBBIRUESPR-UHFFFAOYSA-N 2 2 281.360 -0.474 20 0 CBADLP NC(=O)C[NH2+]C1(CNC(=O)CCCn2cc[nH+]c2)CC1 ZINC001446294948 912854032 /nfs/dbraw/zinc/85/40/32/912854032.db2.gz RSQPEGWXPSQYSV-UHFFFAOYSA-N 2 2 279.344 -0.613 20 0 CBADLP CN(C)C(=O)C[N@@H+]1C[C@@H]2COC[C@H](C1)N2c1c[nH+]cn1C ZINC001277765656 884816100 /nfs/dbraw/zinc/81/61/00/884816100.db2.gz MYEYGSLUDFWTNP-TXEJJXNPSA-N 2 2 293.371 -0.602 20 0 CBADLP CN(C)C(=O)C[N@H+]1C[C@@H]2COC[C@H](C1)N2c1c[nH+]cn1C ZINC001277765656 884816111 /nfs/dbraw/zinc/81/61/11/884816111.db2.gz MYEYGSLUDFWTNP-TXEJJXNPSA-N 2 2 293.371 -0.602 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC001326244883 884955707 /nfs/dbraw/zinc/95/57/07/884955707.db2.gz KJWQIAJVYZHBFM-AEJSXWLSSA-N 2 2 257.334 -0.667 20 0 CBADLP [NH3+]C[C@H]1CCCN(C(=O)c2n[nH]c3c2C[NH2+]CC3)C1 ZINC001326256965 884962470 /nfs/dbraw/zinc/96/24/70/884962470.db2.gz CNNJAVXTEQDXDQ-SECBINFHSA-N 2 2 263.345 -0.134 20 0 CBADLP O=C(C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1)N1CC[NH2+]CC1 ZINC001326278000 884967606 /nfs/dbraw/zinc/96/76/06/884967606.db2.gz PZQLQCVAFVORPA-ZDUSSCGKSA-N 3 2 252.362 -0.896 20 0 CBADLP O=C(C[N@H+]1CC[C@]2(CC[NH2+]C2)C1)N1CC[NH2+]CC1 ZINC001326278000 884967627 /nfs/dbraw/zinc/96/76/27/884967627.db2.gz PZQLQCVAFVORPA-ZDUSSCGKSA-N 3 2 252.362 -0.896 20 0 CBADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@H]1[NH2+]CC1(C)C ZINC001326310042 884981986 /nfs/dbraw/zinc/98/19/86/884981986.db2.gz USPVFZRJPCZYFO-NXEZZACHSA-N 2 2 269.345 -0.652 20 0 CBADLP CC(C)([NH3+])CC(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001326371397 885006153 /nfs/dbraw/zinc/00/61/53/885006153.db2.gz QZLWTTKAIKZDBE-SECBINFHSA-N 2 2 256.350 -0.820 20 0 CBADLP CC(C)([NH3+])CC(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001326371397 885006172 /nfs/dbraw/zinc/00/61/72/885006172.db2.gz QZLWTTKAIKZDBE-SECBINFHSA-N 2 2 256.350 -0.820 20 0 CBADLP NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH2+]2)C1 ZINC001326369385 885007671 /nfs/dbraw/zinc/00/76/71/885007671.db2.gz GXVNWCYVZIFWBS-GHMZBOCLSA-N 2 2 268.361 -0.806 20 0 CBADLP NC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH2+]2)C1 ZINC001326369385 885007680 /nfs/dbraw/zinc/00/76/80/885007680.db2.gz GXVNWCYVZIFWBS-GHMZBOCLSA-N 2 2 268.361 -0.806 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N2CCCC[C@@H]2C[NH2+]CCO)C1 ZINC001326698137 885113184 /nfs/dbraw/zinc/11/31/84/885113184.db2.gz HGEHYEBWYCHFAX-CHWSQXEVSA-N 2 2 285.388 -0.720 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N2CCCC[C@@H]2C[NH2+]CCO)C1 ZINC001326698137 885113187 /nfs/dbraw/zinc/11/31/87/885113187.db2.gz HGEHYEBWYCHFAX-CHWSQXEVSA-N 2 2 285.388 -0.720 20 0 CBADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)c1coc(C[NH3+])c1 ZINC001326797985 885154561 /nfs/dbraw/zinc/15/45/61/885154561.db2.gz SRPUHFAGPSPRIN-LLVKDONJSA-N 2 2 266.345 -0.286 20 0 CBADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1coc(C[NH3+])c1 ZINC001326797985 885154572 /nfs/dbraw/zinc/15/45/72/885154572.db2.gz SRPUHFAGPSPRIN-LLVKDONJSA-N 2 2 266.345 -0.286 20 0 CBADLP C[N@@H+]1CC[C@](O)(CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001326849722 885173338 /nfs/dbraw/zinc/17/33/38/885173338.db2.gz SCTAVXGJYZAZBE-LBPRGKRZSA-N 2 2 252.318 -0.475 20 0 CBADLP C[N@H+]1CC[C@](O)(CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001326849722 885173341 /nfs/dbraw/zinc/17/33/41/885173341.db2.gz SCTAVXGJYZAZBE-LBPRGKRZSA-N 2 2 252.318 -0.475 20 0 CBADLP C[N@@H+]1CC[C@](O)(CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001326849722 885173324 /nfs/dbraw/zinc/17/33/24/885173324.db2.gz SCTAVXGJYZAZBE-LBPRGKRZSA-N 2 2 252.318 -0.475 20 0 CBADLP C[N@H+]1CC[C@](O)(CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001326849722 885173331 /nfs/dbraw/zinc/17/33/31/885173331.db2.gz SCTAVXGJYZAZBE-LBPRGKRZSA-N 2 2 252.318 -0.475 20 0 CBADLP O=C(CCn1cc[nH+]c1)N1CCO[C@H](C[NH2+]CCCO)C1 ZINC001327020694 885224587 /nfs/dbraw/zinc/22/45/87/885224587.db2.gz UNGAVRSDCXZELC-CYBMUJFWSA-N 2 2 296.371 -0.527 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)C[NH2+]CC1CC1 ZINC001327059217 885239978 /nfs/dbraw/zinc/23/99/78/885239978.db2.gz GZIAUVXGMKYSML-NSHDSACASA-N 2 2 269.345 -0.651 20 0 CBADLP COCCC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001327082614 885248748 /nfs/dbraw/zinc/24/87/48/885248748.db2.gz VLWGFEIEMJPJPO-ZDUSSCGKSA-N 2 2 296.371 -0.263 20 0 CBADLP CCN1C(=O)[C@H]2C[N@H+](C[C@H]3CCC[NH2+]C3)CCN2C1=O ZINC001327863162 885505118 /nfs/dbraw/zinc/50/51/18/885505118.db2.gz DYHXVSJECRBEQG-NWDGAFQWSA-N 2 2 280.372 -0.046 20 0 CBADLP CCN1C(=O)[C@H]2C[N@@H+](C[C@H]3CCC[NH2+]C3)CCN2C1=O ZINC001327863162 885505125 /nfs/dbraw/zinc/50/51/25/885505125.db2.gz DYHXVSJECRBEQG-NWDGAFQWSA-N 2 2 280.372 -0.046 20 0 CBADLP C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1[NH2+]CCCO ZINC001327940437 885536214 /nfs/dbraw/zinc/53/62/14/885536214.db2.gz NCQVXBNPEIUJAC-WCQYABFASA-N 2 2 280.372 -0.219 20 0 CBADLP C[NH+](C)CCC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccon2)C1 ZINC001446787495 912951090 /nfs/dbraw/zinc/95/10/90/912951090.db2.gz KPKJKKKYTWBSJO-AWEZNQCLSA-N 2 2 296.371 -0.321 20 0 CBADLP C[NH+](C)CCC(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccon2)C1 ZINC001446787495 912951107 /nfs/dbraw/zinc/95/11/07/912951107.db2.gz KPKJKKKYTWBSJO-AWEZNQCLSA-N 2 2 296.371 -0.321 20 0 CBADLP C[NH+](C)CCC(=O)NC[C@]1(O)CC[N@H+](Cc2ccon2)C1 ZINC001446787497 912952388 /nfs/dbraw/zinc/95/23/88/912952388.db2.gz KPKJKKKYTWBSJO-CQSZACIVSA-N 2 2 296.371 -0.321 20 0 CBADLP C[NH+](C)CCC(=O)NC[C@]1(O)CC[N@@H+](Cc2ccon2)C1 ZINC001446787497 912952398 /nfs/dbraw/zinc/95/23/98/912952398.db2.gz KPKJKKKYTWBSJO-CQSZACIVSA-N 2 2 296.371 -0.321 20 0 CBADLP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC001328451100 885691125 /nfs/dbraw/zinc/69/11/25/885691125.db2.gz ORDZKDUCRSQPGX-HBNTYKKESA-N 2 2 293.371 -0.444 20 0 CBADLP C[C@H](F)CC[NH+]1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001446909857 912976867 /nfs/dbraw/zinc/97/68/67/912976867.db2.gz DMPAZXJXNSGRQQ-RYUDHWBXSA-N 2 2 287.379 -0.151 20 0 CBADLP C[C@H](F)CC[NH+]1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001446909857 912976881 /nfs/dbraw/zinc/97/68/81/912976881.db2.gz DMPAZXJXNSGRQQ-RYUDHWBXSA-N 2 2 287.379 -0.151 20 0 CBADLP O[C@@H]1COC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC001329376633 886037972 /nfs/dbraw/zinc/03/79/72/886037972.db2.gz VACBWHKBIVDHTH-RWMBFGLXSA-N 2 2 256.346 -0.411 20 0 CBADLP C[C@H](C(=O)N1CCC(C[NH3+])CC1)[NH+]1CCN(C)CC1 ZINC001329483265 886090464 /nfs/dbraw/zinc/09/04/64/886090464.db2.gz PXORGNIQJQVNGZ-GFCCVEGCSA-N 2 2 268.405 -0.180 20 0 CBADLP C[C@H](C(=O)NCC[N@@H+]1CC[C@@H](O)C1)n1cc[nH+]c1 ZINC001329569994 886128866 /nfs/dbraw/zinc/12/88/66/886128866.db2.gz VNJFUCBSDFAELU-GHMZBOCLSA-N 2 2 252.318 -0.373 20 0 CBADLP C[C@H](C(=O)NCC[N@H+]1CC[C@@H](O)C1)n1cc[nH+]c1 ZINC001329569994 886128872 /nfs/dbraw/zinc/12/88/72/886128872.db2.gz VNJFUCBSDFAELU-GHMZBOCLSA-N 2 2 252.318 -0.373 20 0 CBADLP C[C@H](c1nc([C@@H]2CCC[NH2+]2)no1)N1CC[NH2+]CC1=O ZINC001329632755 886153086 /nfs/dbraw/zinc/15/30/86/886153086.db2.gz OHBXEWQUSRFEAB-BDAKNGLRSA-N 2 2 265.317 -0.013 20 0 CBADLP C[C@H](NC(=O)C[NH+]1CCCC1)C1C[NH+](CC(N)=O)C1 ZINC001330075865 886348023 /nfs/dbraw/zinc/34/80/23/886348023.db2.gz YJMGNJRLVHZEIE-JTQLQIEISA-N 2 2 268.361 -0.996 20 0 CBADLP C[C@H](C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)n1cc[nH+]c1 ZINC001330115283 886362567 /nfs/dbraw/zinc/36/25/67/886362567.db2.gz PTTOIMAPQODDCK-NEPJUHHUSA-N 2 2 293.371 -0.100 20 0 CBADLP C[C@H](C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)n1cc[nH+]c1 ZINC001330115283 886362580 /nfs/dbraw/zinc/36/25/80/886362580.db2.gz PTTOIMAPQODDCK-NEPJUHHUSA-N 2 2 293.371 -0.100 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC001330214248 886391111 /nfs/dbraw/zinc/39/11/11/886391111.db2.gz LIIKUFZHTGAERM-LBPRGKRZSA-N 2 2 266.345 -0.465 20 0 CBADLP O=C(NCCCCn1cc[nH+]c1)C(=O)N[C@H]1CC[NH2+]C1 ZINC001330518436 886465704 /nfs/dbraw/zinc/46/57/04/886465704.db2.gz BCEYDTYBCVTFGB-NSHDSACASA-N 2 2 279.344 -0.742 20 0 CBADLP CC(=O)NC[C@@H]1CCC[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC001330585279 886490094 /nfs/dbraw/zinc/49/00/94/886490094.db2.gz VLIQACBNCJXFOV-QWHCGFSZSA-N 2 2 255.362 -0.177 20 0 CBADLP CC(=O)NC[C@@H]1CCC[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC001330585279 886490102 /nfs/dbraw/zinc/49/01/02/886490102.db2.gz VLIQACBNCJXFOV-QWHCGFSZSA-N 2 2 255.362 -0.177 20 0 CBADLP CC(=O)NC[C@H]1CCC[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC001330585277 886490243 /nfs/dbraw/zinc/49/02/43/886490243.db2.gz VLIQACBNCJXFOV-CHWSQXEVSA-N 2 2 255.362 -0.177 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H](C[NH2+]CCCO)C1 ZINC001330687273 886532103 /nfs/dbraw/zinc/53/21/03/886532103.db2.gz YLXQQODVMQYASS-HAQNSBGRSA-N 2 2 280.372 -0.171 20 0 CBADLP O=C([C@@H]1[NH2+]C[C@@H]2C[C@@H]21)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001330709258 886539103 /nfs/dbraw/zinc/53/91/03/886539103.db2.gz CQVULYCEBYARNZ-QNWHQSFQSA-N 2 2 265.357 -0.473 20 0 CBADLP [NH3+]C[C@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CCO1 ZINC001331224774 886737203 /nfs/dbraw/zinc/73/72/03/886737203.db2.gz KHUFSFXABNSYKF-MNOVXSKESA-N 2 2 264.329 -0.368 20 0 CBADLP COCC[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC001331322176 886776180 /nfs/dbraw/zinc/77/61/80/886776180.db2.gz KGSNSSPTKLMYPS-WDEREUQCSA-N 2 2 259.350 -0.813 20 0 CBADLP COCC[C@@H]([NH3+])C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC001331322176 886776196 /nfs/dbraw/zinc/77/61/96/886776196.db2.gz KGSNSSPTKLMYPS-WDEREUQCSA-N 2 2 259.350 -0.813 20 0 CBADLP C[C@@H](C(=O)NCCC(C)(C)[NH3+])N1CC[NH2+]CC1=O ZINC001331403503 886794102 /nfs/dbraw/zinc/79/41/02/886794102.db2.gz HGDMUWFMHLYLKI-VIFPVBQESA-N 2 2 256.350 -0.950 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)C1=CC[C@H]([NH3+])C1 ZINC001331688663 886907983 /nfs/dbraw/zinc/90/79/83/886907983.db2.gz DGKGKRHDEYONEY-QWRGUYRKSA-N 2 2 267.329 -0.603 20 0 CBADLP Cn1c[nH+]cc1CNC(=O)NCC1([NH3+])CCOCC1 ZINC001331721387 886934051 /nfs/dbraw/zinc/93/40/51/886934051.db2.gz XMHQLKRAJHGHAI-UHFFFAOYSA-N 2 2 267.333 -0.273 20 0 CBADLP C[C@@H]1C[C@@H]([NH2+]CCOCCO)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001332026353 887087263 /nfs/dbraw/zinc/08/72/63/887087263.db2.gz JZLUWUONHHRKRN-DGCLKSJQSA-N 2 2 296.371 -0.460 20 0 CBADLP COCC[NH2+]CC(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC001332188962 887146126 /nfs/dbraw/zinc/14/61/26/887146126.db2.gz JZRLOKGGDPACPT-UHFFFAOYSA-N 2 2 298.431 -0.539 20 0 CBADLP C[NH2+][C@@H](C)C(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC001332228376 887162122 /nfs/dbraw/zinc/16/21/22/887162122.db2.gz ITAKEPBQGCFLEU-LBPRGKRZSA-N 2 2 268.405 -0.167 20 0 CBADLP C[C@@H](NC(=O)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21)[C@H](C)[NH+]1CCOCC1 ZINC001332292380 887186823 /nfs/dbraw/zinc/18/68/23/887186823.db2.gz OFKHTBXTQKMGFK-QNWJLWSRSA-N 2 2 267.373 -0.180 20 0 CBADLP C[C@H]([C@H](C)NC(=O)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21)[NH+]1CCOCC1 ZINC001332292373 887187765 /nfs/dbraw/zinc/18/77/65/887187765.db2.gz OFKHTBXTQKMGFK-FPYNETTCSA-N 2 2 267.373 -0.180 20 0 CBADLP Cn1cc([C@@H](O)C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)cn1 ZINC001332358729 887224287 /nfs/dbraw/zinc/22/42/87/887224287.db2.gz LDQHMXSEAZQXAT-STQMWFEESA-N 2 2 268.361 -0.502 20 0 CBADLP Cn1cc([C@@H](O)C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)cn1 ZINC001332358729 887224306 /nfs/dbraw/zinc/22/43/06/887224306.db2.gz LDQHMXSEAZQXAT-STQMWFEESA-N 2 2 268.361 -0.502 20 0 CBADLP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2nnc3n2CCNC3=O)C1 ZINC001332421765 887276131 /nfs/dbraw/zinc/27/61/31/887276131.db2.gz SENUQTJXORKUME-DTWKUNHWSA-N 2 2 264.333 -0.619 20 0 CBADLP C[NH+](C)C[C@](C)(O)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001332454962 887292447 /nfs/dbraw/zinc/29/24/47/887292447.db2.gz NNFNGEGSTJVWCU-GIPNMCIBSA-N 2 2 266.345 -0.058 20 0 CBADLP C[NH+](C)C[C@](C)(O)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001332454962 887292467 /nfs/dbraw/zinc/29/24/67/887292467.db2.gz NNFNGEGSTJVWCU-GIPNMCIBSA-N 2 2 266.345 -0.058 20 0 CBADLP C[C@@H]1CN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)CC[N@@H+]1C ZINC001332755567 887422568 /nfs/dbraw/zinc/42/25/68/887422568.db2.gz PNSDBPUVLQMMNX-DGCLKSJQSA-N 2 2 267.373 -0.130 20 0 CBADLP C[C@@H]1CN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)CC[N@H+]1C ZINC001332755567 887422575 /nfs/dbraw/zinc/42/25/75/887422575.db2.gz PNSDBPUVLQMMNX-DGCLKSJQSA-N 2 2 267.373 -0.130 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC001332960153 887490373 /nfs/dbraw/zinc/49/03/73/887490373.db2.gz FMRRRUVDBNFSEE-KCJUWKMLSA-N 2 2 252.318 -0.165 20 0 CBADLP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1nnc[nH]1)C2 ZINC001333163984 887546853 /nfs/dbraw/zinc/54/68/53/887546853.db2.gz YHYHNRHOXOHYEV-SBMIAAHKSA-N 2 2 265.317 -0.483 20 0 CBADLP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1nnc[nH]1)C2 ZINC001333163984 887546866 /nfs/dbraw/zinc/54/68/66/887546866.db2.gz YHYHNRHOXOHYEV-SBMIAAHKSA-N 2 2 265.317 -0.483 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NCC1=CC[N@H+](CCO)CC1 ZINC001333406221 887624698 /nfs/dbraw/zinc/62/46/98/887624698.db2.gz MNYRIHUBYOSLPW-UHFFFAOYSA-N 2 2 264.329 -0.307 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NCC1=CC[N@@H+](CCO)CC1 ZINC001333406221 887624705 /nfs/dbraw/zinc/62/47/05/887624705.db2.gz MNYRIHUBYOSLPW-UHFFFAOYSA-N 2 2 264.329 -0.307 20 0 CBADLP CN1CCN(CCC[NH+]2CCOCC2)CC[N@H+](C)CC1 ZINC001333450259 887645662 /nfs/dbraw/zinc/64/56/62/887645662.db2.gz GDIRVPRPPLIXBN-UHFFFAOYSA-N 2 2 284.448 -0.112 20 0 CBADLP CN1CCN(CCC[NH+]2CCOCC2)CC[N@@H+](C)CC1 ZINC001333450259 887645668 /nfs/dbraw/zinc/64/56/68/887645668.db2.gz GDIRVPRPPLIXBN-UHFFFAOYSA-N 2 2 284.448 -0.112 20 0 CBADLP Cn1c[nH+]c(CCNC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])c1 ZINC001333911184 887805627 /nfs/dbraw/zinc/80/56/27/887805627.db2.gz FVWVWOAUJCZOLG-GFCCVEGCSA-N 2 2 293.371 -0.581 20 0 CBADLP O=C(NCCn1cc[nH+]c1)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC001333908751 887806322 /nfs/dbraw/zinc/80/63/22/887806322.db2.gz ISGKXCIVZOHACS-NEPJUHHUSA-N 2 2 291.355 -0.648 20 0 CBADLP Cn1c[nH+]cc1[C@H](CO)NC(=O)C12CC[NH+](CC1)C2 ZINC001334246203 887901882 /nfs/dbraw/zinc/90/18/82/887901882.db2.gz JLTKXFXOXWJUSC-JTQLQIEISA-N 2 2 264.329 -0.335 20 0 CBADLP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1C[C@H](O)COC1CCOCC1 ZINC001334339650 887928409 /nfs/dbraw/zinc/92/84/09/887928409.db2.gz XOZFSGJCQBCQJU-UTUOFQBUSA-N 2 2 258.362 -0.036 20 0 CBADLP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1C[C@H](O)COC1CCOCC1 ZINC001334339650 887928412 /nfs/dbraw/zinc/92/84/12/887928412.db2.gz XOZFSGJCQBCQJU-UTUOFQBUSA-N 2 2 258.362 -0.036 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC[C@@H](C)[N@H+](C)[C@@H]1CCNC1=O ZINC001448145602 913236861 /nfs/dbraw/zinc/23/68/61/913236861.db2.gz GROATDMJJATYPU-ZYHUDNBSSA-N 2 2 293.371 -0.483 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC[C@@H](C)[N@@H+](C)[C@@H]1CCNC1=O ZINC001448145602 913236878 /nfs/dbraw/zinc/23/68/78/913236878.db2.gz GROATDMJJATYPU-ZYHUDNBSSA-N 2 2 293.371 -0.483 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH+](C)Cc1cnnn1C ZINC001448148645 913241236 /nfs/dbraw/zinc/24/12/36/913241236.db2.gz QIZUTLFEUWHBQR-VXGBXAGGSA-N 2 2 294.403 -0.297 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH+](C)Cc1cnnn1C ZINC001448148645 913241254 /nfs/dbraw/zinc/24/12/54/913241254.db2.gz QIZUTLFEUWHBQR-VXGBXAGGSA-N 2 2 294.403 -0.297 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1CC[NH+](C)C1)[N@H+](C)Cc1cnnn1C ZINC001448148645 913241276 /nfs/dbraw/zinc/24/12/76/913241276.db2.gz QIZUTLFEUWHBQR-VXGBXAGGSA-N 2 2 294.403 -0.297 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1CC[NH+](C)C1)[N@@H+](C)Cc1cnnn1C ZINC001448148645 913241296 /nfs/dbraw/zinc/24/12/96/913241296.db2.gz QIZUTLFEUWHBQR-VXGBXAGGSA-N 2 2 294.403 -0.297 20 0 CBADLP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCCCCn1cc[nH+]c1 ZINC001335218047 888453240 /nfs/dbraw/zinc/45/32/40/888453240.db2.gz VVYVYBTUPQCLKI-LLVKDONJSA-N 2 2 281.360 -0.415 20 0 CBADLP COC[C@@H](C)[NH+]1CC(CCO)(NC(=O)CC[NH+](C)C)C1 ZINC001448187599 913252972 /nfs/dbraw/zinc/25/29/72/913252972.db2.gz KFTUNSJIPWLTEF-GFCCVEGCSA-N 2 2 287.404 -0.474 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)NCCNC(=O)C2CC2)CC1 ZINC001335326423 888499894 /nfs/dbraw/zinc/49/98/94/888499894.db2.gz GNSXLSIDDRKFFW-UHFFFAOYSA-N 2 2 297.403 -0.765 20 0 CBADLP CCS(=O)(=O)C[C@@H](C)[NH2+]CC1([NH3+])CCOCC1 ZINC001335383119 888519419 /nfs/dbraw/zinc/51/94/19/888519419.db2.gz RAVOFJURAXQVJP-SNVBAGLBSA-N 2 2 264.391 -0.093 20 0 CBADLP O[C@H](C[NH2+][C@@H]1Cc2c[nH+]cn2C1)C[C@@]1(O)CCOC1 ZINC001335468805 888540662 /nfs/dbraw/zinc/54/06/62/888540662.db2.gz VYAWACGNMJFEPD-WXHSDQCUSA-N 2 2 267.329 -0.700 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2[NH2+]C[C@@H]3C[C@@H]32)[C@@H](C)CO1 ZINC001335850272 888644724 /nfs/dbraw/zinc/64/47/24/888644724.db2.gz GWXQJYFCWVEFHD-FPYNETTCSA-N 2 2 267.373 -0.180 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2[NH2+]C[C@@H]3C[C@@H]32)[C@@H](C)CO1 ZINC001335850272 888644731 /nfs/dbraw/zinc/64/47/31/888644731.db2.gz GWXQJYFCWVEFHD-FPYNETTCSA-N 2 2 267.373 -0.180 20 0 CBADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@H](C)C[NH3+] ZINC001336125143 888699830 /nfs/dbraw/zinc/69/98/30/888699830.db2.gz QIFPWZIKQKGXHB-MNOVXSKESA-N 2 2 258.366 -0.256 20 0 CBADLP C[C@@H](NC(=O)C1([NH+](C)C)CCC1)C1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001448302595 913275614 /nfs/dbraw/zinc/27/56/14/913275614.db2.gz IQFNVPUKUFAJKC-MNOVXSKESA-N 2 2 296.415 -0.219 20 0 CBADLP CC(C)[C@@H](C(=O)N[C@@H](C)C1C[NH+](CC(N)=O)C1)[NH+](C)C ZINC001448340029 913277305 /nfs/dbraw/zinc/27/73/05/913277305.db2.gz SLQCHYJVBTYCER-GWCFXTLKSA-N 2 2 284.404 -0.506 20 0 CBADLP C[C@H](NC(=O)C[NH+]1CCCC1)C1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001448365570 913282884 /nfs/dbraw/zinc/28/28/84/913282884.db2.gz WBAOYPNPWXOBBB-WCQYABFASA-N 2 2 294.399 -0.593 20 0 CBADLP [NH3+]CCCOCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001336742648 888863797 /nfs/dbraw/zinc/86/37/97/888863797.db2.gz NZPDWXFWLXICKE-NXEZZACHSA-N 2 2 252.318 -0.005 20 0 CBADLP [NH3+]CCCOCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001336742648 888863808 /nfs/dbraw/zinc/86/38/08/888863808.db2.gz NZPDWXFWLXICKE-NXEZZACHSA-N 2 2 252.318 -0.005 20 0 CBADLP C[C@@H]1CC[N@H+](CC[NH2+]C[C@@H](O)C[C@@]2(O)CCOC2)C1 ZINC001336780667 888878964 /nfs/dbraw/zinc/87/89/64/888878964.db2.gz OCKQZNIGUVHDRZ-RDBSUJKOSA-N 2 2 272.389 -0.180 20 0 CBADLP C[C@@H]1CC[N@@H+](CC[NH2+]C[C@@H](O)C[C@@]2(O)CCOC2)C1 ZINC001336780667 888878977 /nfs/dbraw/zinc/87/89/77/888878977.db2.gz OCKQZNIGUVHDRZ-RDBSUJKOSA-N 2 2 272.389 -0.180 20 0 CBADLP C[C@@H]1CC[N@H+](CC[NH2+]C[C@H](O)C[C@@]2(O)CCOC2)C1 ZINC001336780660 888879406 /nfs/dbraw/zinc/87/94/06/888879406.db2.gz OCKQZNIGUVHDRZ-MCIONIFRSA-N 2 2 272.389 -0.180 20 0 CBADLP C[C@@H]1CC[N@@H+](CC[NH2+]C[C@H](O)C[C@@]2(O)CCOC2)C1 ZINC001336780660 888879417 /nfs/dbraw/zinc/87/94/17/888879417.db2.gz OCKQZNIGUVHDRZ-MCIONIFRSA-N 2 2 272.389 -0.180 20 0 CBADLP COCCOC[C@H](O)C[NH2+][C@@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC001336779139 888880702 /nfs/dbraw/zinc/88/07/02/888880702.db2.gz HLLCXWZKVWNZSD-MJBXVCDLSA-N 2 2 289.420 -0.766 20 0 CBADLP COCCOC[C@H](O)C[NH2+][C@@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC001336779139 888880712 /nfs/dbraw/zinc/88/07/12/888880712.db2.gz HLLCXWZKVWNZSD-MJBXVCDLSA-N 2 2 289.420 -0.766 20 0 CBADLP C[NH+](C)[C@@H]1C[C@@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)C1(C)C ZINC001336838452 888899185 /nfs/dbraw/zinc/89/91/85/888899185.db2.gz DQEYOXQLHNXBET-RBSFLKMASA-N 3 2 298.475 -0.087 20 0 CBADLP C[NH2+][C@H]1CCN(C(=O)NCC[NH+]2CCC([NH3+])CC2)C1 ZINC001336941509 888927890 /nfs/dbraw/zinc/92/78/90/888927890.db2.gz LHHKSXQMXFGJCW-LBPRGKRZSA-N 3 2 269.393 -0.587 20 0 CBADLP COCC[C@H]([NH3+])C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC001336977216 888941644 /nfs/dbraw/zinc/94/16/44/888941644.db2.gz GUTGXMLJCBXACA-QWRGUYRKSA-N 2 2 254.334 -0.001 20 0 CBADLP COC(=O)[C@H]1C[NH+](CC(C)(C)[NH3+])C[C@@H]1C(=O)OC ZINC001337838535 889087428 /nfs/dbraw/zinc/08/74/28/889087428.db2.gz ORUAPGQDTPPHDA-IUCAKERBSA-N 2 2 258.318 -0.382 20 0 CBADLP C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001338188385 889125866 /nfs/dbraw/zinc/12/58/66/889125866.db2.gz WUAXHIRNBIPNRE-GIPNMCIBSA-N 2 2 264.329 -0.304 20 0 CBADLP C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001338188385 889125869 /nfs/dbraw/zinc/12/58/69/889125869.db2.gz WUAXHIRNBIPNRE-GIPNMCIBSA-N 2 2 264.329 -0.304 20 0 CBADLP C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001338188385 889125872 /nfs/dbraw/zinc/12/58/72/889125872.db2.gz WUAXHIRNBIPNRE-GIPNMCIBSA-N 2 2 264.329 -0.304 20 0 CBADLP C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001338188385 889125875 /nfs/dbraw/zinc/12/58/75/889125875.db2.gz WUAXHIRNBIPNRE-GIPNMCIBSA-N 2 2 264.329 -0.304 20 0 CBADLP Cn1c[nH+]c(CCNC(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)c1 ZINC001338278332 889132774 /nfs/dbraw/zinc/13/27/74/889132774.db2.gz PRHRDZWVBZXYDA-LLVKDONJSA-N 2 2 293.371 -0.724 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)NOC[C@@H]2CCOC2)CC1 ZINC001338594020 889178756 /nfs/dbraw/zinc/17/87/56/889178756.db2.gz ALYFIFIDTDLYMI-LLVKDONJSA-N 2 2 286.376 -0.323 20 0 CBADLP C[C@@H](Nc1nccnc1C[NH3+])[C@@H]1C[N@H+](C)CCN1C ZINC001339814644 889326770 /nfs/dbraw/zinc/32/67/70/889326770.db2.gz DXVSPCUMUCHFIN-PWSUYJOCSA-N 2 2 264.377 -0.019 20 0 CBADLP C[C@@H](Nc1nccnc1C[NH3+])[C@@H]1C[N@@H+](C)CCN1C ZINC001339814644 889326776 /nfs/dbraw/zinc/32/67/76/889326776.db2.gz DXVSPCUMUCHFIN-PWSUYJOCSA-N 2 2 264.377 -0.019 20 0 CBADLP C[C@@H](Nc1nccnc1C[NH3+])[C@@H]1CN(C)CC[N@@H+]1C ZINC001339814644 889326788 /nfs/dbraw/zinc/32/67/88/889326788.db2.gz DXVSPCUMUCHFIN-PWSUYJOCSA-N 2 2 264.377 -0.019 20 0 CBADLP C[C@@H](Nc1nccnc1C[NH3+])[C@@H]1CN(C)CC[N@H+]1C ZINC001339814644 889326797 /nfs/dbraw/zinc/32/67/97/889326797.db2.gz DXVSPCUMUCHFIN-PWSUYJOCSA-N 2 2 264.377 -0.019 20 0 CBADLP C[C@]1(C(=O)NCCCCn2cc[nH+]c2)C[C@H](O)C[NH2+]1 ZINC001340055456 889373663 /nfs/dbraw/zinc/37/36/63/889373663.db2.gz AEEOQWINGYLORH-WCQYABFASA-N 2 2 266.345 -0.108 20 0 CBADLP O=C(NCCCn1cc[nH+]c1)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001340140111 889396630 /nfs/dbraw/zinc/39/66/30/889396630.db2.gz OBCYYNBCIRRUAU-LLVKDONJSA-N 2 2 291.355 -0.790 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@H](C)CN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001448662860 913342988 /nfs/dbraw/zinc/34/29/88/913342988.db2.gz BDPLZDRRGZHRGL-GHMZBOCLSA-N 2 2 295.387 -0.087 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@H](C)CN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001448662860 913343007 /nfs/dbraw/zinc/34/30/07/913343007.db2.gz BDPLZDRRGZHRGL-GHMZBOCLSA-N 2 2 295.387 -0.087 20 0 CBADLP Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)[C@H](C)[NH3+])C2 ZINC001340537828 889444962 /nfs/dbraw/zinc/44/49/62/889444962.db2.gz CVCDHUVNZSYOLP-WCBMZHEXSA-N 2 2 266.345 -0.495 20 0 CBADLP C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001340749197 889478749 /nfs/dbraw/zinc/47/87/49/889478749.db2.gz RZSYSCCYMPCPKM-IVZWLZJFSA-N 2 2 252.318 -0.448 20 0 CBADLP C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001340749197 889478759 /nfs/dbraw/zinc/47/87/59/889478759.db2.gz RZSYSCCYMPCPKM-IVZWLZJFSA-N 2 2 252.318 -0.448 20 0 CBADLP C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001340746365 889479690 /nfs/dbraw/zinc/47/96/90/889479690.db2.gz GYGPUUHPZOZBDC-PWSUYJOCSA-N 2 2 266.345 -0.516 20 0 CBADLP C[NH2+]C[C@H](O)CN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001340861004 889501397 /nfs/dbraw/zinc/50/13/97/889501397.db2.gz ATIVHDFFBTUBLY-QWRGUYRKSA-N 2 2 254.334 -0.127 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)C2CC[NH2+]CC2)CC1 ZINC001340943261 889518842 /nfs/dbraw/zinc/51/88/42/889518842.db2.gz RAMLBQZDVSYJGQ-UHFFFAOYSA-N 3 2 254.378 -0.475 20 0 CBADLP C[C@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)[NH2+]Cc1cnnn1C ZINC001448740024 913363349 /nfs/dbraw/zinc/36/33/49/913363349.db2.gz WZTWGCKLAJEOGE-SNVBAGLBSA-N 2 2 291.359 -0.283 20 0 CBADLP O=C(/C=C\C[NH+]1CCOCC1)N[C@@H]1COC2(C[NH2+]C2)C1 ZINC001342215290 889732736 /nfs/dbraw/zinc/73/27/36/889732736.db2.gz JOKMSOSUZNYRGR-BIOMNHJASA-N 2 2 281.356 -0.878 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC001342303798 889750669 /nfs/dbraw/zinc/75/06/69/889750669.db2.gz QKXKMEJNSKQYIS-IJLUTSLNSA-N 2 2 255.362 -0.097 20 0 CBADLP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)/C=C\C[NH+]1CCOCC1 ZINC001342510263 889787745 /nfs/dbraw/zinc/78/77/45/889787745.db2.gz QJRGKKQYUHATKQ-FAQRPARDSA-N 2 2 267.373 -0.154 20 0 CBADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)C1(C)C[NH2+]C1 ZINC001342606890 889800823 /nfs/dbraw/zinc/80/08/23/889800823.db2.gz IYQJTSXHAKRXHX-LLVKDONJSA-N 2 2 255.362 -0.177 20 0 CBADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)C[NH2+]CCOC ZINC001342609942 889801732 /nfs/dbraw/zinc/80/17/32/889801732.db2.gz ZZYDXBCKFZPXJZ-LBPRGKRZSA-N 2 2 273.377 -0.551 20 0 CBADLP C[NH+]1CCC(NC(=O)C(=O)NCCCn2cc[nH+]c2)CC1 ZINC001344820302 890071237 /nfs/dbraw/zinc/07/12/37/890071237.db2.gz RVNVYDIYVHWXGH-UHFFFAOYSA-N 2 2 293.371 -0.400 20 0 CBADLP C[C@@H](C(=O)NC[C@@H]1CC[C@H]([NH3+])C1)N1CC[NH2+]CC1=O ZINC001345152184 890106525 /nfs/dbraw/zinc/10/65/25/890106525.db2.gz AXGXCQRUFXBFJY-AXFHLTTASA-N 2 2 268.361 -0.950 20 0 CBADLP C[NH2+][C@@H](C)CCNC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC001345197338 890110625 /nfs/dbraw/zinc/11/06/25/890110625.db2.gz IYJJJFVADASCKE-NSHDSACASA-N 2 2 282.388 -0.593 20 0 CBADLP C[NH2+][C@H](C)CCNC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC001345197337 890110384 /nfs/dbraw/zinc/11/03/84/890110384.db2.gz IYJJJFVADASCKE-LLVKDONJSA-N 2 2 282.388 -0.593 20 0 CBADLP CN(C(=O)C[C@@H]([NH3+])C(F)F)C1(C[NH3+])CCOCC1 ZINC001345358415 890120780 /nfs/dbraw/zinc/12/07/80/890120780.db2.gz KWMIIJFNLHZJKV-MRVPVSSYSA-N 2 2 265.304 -0.065 20 0 CBADLP C[N@@H+]1CCN(C(=O)[C@H](F)[C@H]2CC[NH2+]C2)[C@H](CO)C1 ZINC001346229067 890247939 /nfs/dbraw/zinc/24/79/39/890247939.db2.gz PKWMMYSERBQGJI-GARJFASQSA-N 2 2 259.325 -0.931 20 0 CBADLP C[N@H+]1CCN(C(=O)[C@H](F)[C@H]2CC[NH2+]C2)[C@H](CO)C1 ZINC001346229067 890247953 /nfs/dbraw/zinc/24/79/53/890247953.db2.gz PKWMMYSERBQGJI-GARJFASQSA-N 2 2 259.325 -0.931 20 0 CBADLP O[C@H](C[NH2+][C@@H]1Cc2c[nH+]cn2C1)C1(O)CCOCC1 ZINC001346340111 890270932 /nfs/dbraw/zinc/27/09/32/890270932.db2.gz OPOGEEOGNORROJ-ZYHUDNBSSA-N 2 2 267.329 -0.700 20 0 CBADLP C[C@H](O)C[NH2+][C@@H](CO)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001448873436 913435665 /nfs/dbraw/zinc/43/56/65/913435665.db2.gz HBPRKNIRNKYCDU-GXSJLCMTSA-N 2 2 292.339 -0.376 20 0 CBADLP C[C@@H]([NH2+][C@@H](CO)CNC(=O)CC[NH+](C)C)c1ncccn1 ZINC001448887650 913442569 /nfs/dbraw/zinc/44/25/69/913442569.db2.gz KEALYDALJJAIRT-VXGBXAGGSA-N 2 2 295.387 -0.444 20 0 CBADLP C[C@H]([NH2+][C@H](CO)CNC(=O)CC[NH+](C)C)c1ncccn1 ZINC001448887644 913442712 /nfs/dbraw/zinc/44/27/12/913442712.db2.gz KEALYDALJJAIRT-RYUDHWBXSA-N 2 2 295.387 -0.444 20 0 CBADLP COc1cc[nH+]cc1CC(=O)NC[C@@H](CO)[NH2+]C[C@@H](C)O ZINC001448889460 913443609 /nfs/dbraw/zinc/44/36/09/913443609.db2.gz WENWSPILVVGSTD-PWSUYJOCSA-N 2 2 297.355 -0.920 20 0 CBADLP COC[C@@H](C)[NH2+][C@H](CO)CNC(=O)Cc1c[nH+]cn1C ZINC001448947975 913466717 /nfs/dbraw/zinc/46/67/17/913466717.db2.gz OUZQRTDWSMZZTD-MNOVXSKESA-N 2 2 284.360 -0.936 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC001348396185 890614554 /nfs/dbraw/zinc/61/45/54/890614554.db2.gz NELSIAHWWFJMAG-LBPRGKRZSA-N 2 2 293.371 -0.581 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC001348396185 890614559 /nfs/dbraw/zinc/61/45/59/890614559.db2.gz NELSIAHWWFJMAG-LBPRGKRZSA-N 2 2 293.371 -0.581 20 0 CBADLP C[N@@H+]1CC[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc2ccon2)C1 ZINC001448959483 913471616 /nfs/dbraw/zinc/47/16/16/913471616.db2.gz VNNNTYLZXHRYHH-ZYHUDNBSSA-N 2 2 282.344 -0.807 20 0 CBADLP C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc2ccon2)C1 ZINC001448959483 913471624 /nfs/dbraw/zinc/47/16/24/913471624.db2.gz VNNNTYLZXHRYHH-ZYHUDNBSSA-N 2 2 282.344 -0.807 20 0 CBADLP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@@H]1C ZINC001448985938 913478673 /nfs/dbraw/zinc/47/86/73/913478673.db2.gz WECNXWUBSAAIKE-ZYHUDNBSSA-N 2 2 293.371 -0.712 20 0 CBADLP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCCc1[nH]cc[nH+]1 ZINC001348831014 890710695 /nfs/dbraw/zinc/71/06/95/890710695.db2.gz PKZRDBHERZUNHA-MNOVXSKESA-N 2 2 263.345 -0.543 20 0 CBADLP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCCc1[nH]cc[nH+]1 ZINC001348831014 890710708 /nfs/dbraw/zinc/71/07/08/890710708.db2.gz PKZRDBHERZUNHA-MNOVXSKESA-N 2 2 263.345 -0.543 20 0 CBADLP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC001448985925 913479718 /nfs/dbraw/zinc/47/97/18/913479718.db2.gz WECNXWUBSAAIKE-CMPLNLGQSA-N 2 2 293.371 -0.712 20 0 CBADLP C[NH+](C)CC1(C(=O)NCCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001349262030 890782164 /nfs/dbraw/zinc/78/21/64/890782164.db2.gz LKHJBYZDSFYSQA-UHFFFAOYSA-N 2 2 293.371 -0.543 20 0 CBADLP CC(C)(C(N)=O)[NH+]1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC001349487213 890823246 /nfs/dbraw/zinc/82/32/46/890823246.db2.gz RCSGWQBSAMSZRP-LLVKDONJSA-N 2 2 254.378 -0.523 20 0 CBADLP [NH3+]C[C@H]1CCCCN1C(=O)C(=O)NCCn1cc[nH+]c1 ZINC001349992551 890921371 /nfs/dbraw/zinc/92/13/71/890921371.db2.gz OIMQMBCMXPPXQL-LLVKDONJSA-N 2 2 279.344 -0.661 20 0 CBADLP OC/C=C/C[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC001350154830 890941912 /nfs/dbraw/zinc/94/19/12/890941912.db2.gz OIVJTBWLGVJKBX-OWOJBTEDSA-N 2 2 283.416 -0.079 20 0 CBADLP O=C1CCC(=O)N1CC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC001350393878 890977795 /nfs/dbraw/zinc/97/77/95/890977795.db2.gz CELOJFSWKJBZPM-CYBMUJFWSA-N 2 2 295.383 -0.334 20 0 CBADLP O=C1CCC(=O)N1CC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC001350393878 890977803 /nfs/dbraw/zinc/97/78/03/890977803.db2.gz CELOJFSWKJBZPM-CYBMUJFWSA-N 2 2 295.383 -0.334 20 0 CBADLP CC(C)[C@H]([NH3+])CC[NH2+]Cc1cn(CC(N)=O)nn1 ZINC001350454553 890987530 /nfs/dbraw/zinc/98/75/30/890987530.db2.gz JERCHVSQZUTTRK-SNVBAGLBSA-N 2 2 254.338 -0.774 20 0 CBADLP C[C@@]1(C[N@H+]2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)CC[NH2+]C1 ZINC001352788828 891297077 /nfs/dbraw/zinc/29/70/77/891297077.db2.gz IEZGFNKXXZTPOL-GRYCIOLGSA-N 2 2 258.387 -0.038 20 0 CBADLP C[C@@]1(C[N@@H+]2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)CC[NH2+]C1 ZINC001352788828 891297098 /nfs/dbraw/zinc/29/70/98/891297098.db2.gz IEZGFNKXXZTPOL-GRYCIOLGSA-N 2 2 258.387 -0.038 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]([NH3+])CC1CC1 ZINC001353064395 891351945 /nfs/dbraw/zinc/35/19/45/891351945.db2.gz SVLWWQVSKIWPQQ-JQWIXIFHSA-N 2 2 255.362 -0.049 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]([NH3+])CC1CC1 ZINC001353064395 891351962 /nfs/dbraw/zinc/35/19/62/891351962.db2.gz SVLWWQVSKIWPQQ-JQWIXIFHSA-N 2 2 255.362 -0.049 20 0 CBADLP Cc1[nH+]c[nH]c1CNC(=O)C[C@]1(O)CCC[NH2+]C1 ZINC001353583772 891448981 /nfs/dbraw/zinc/44/89/81/891448981.db2.gz SVCFLXGEAFCKBQ-GFCCVEGCSA-N 2 2 252.318 -0.161 20 0 CBADLP CC(C)(C)[C@@H](C[NH2+]CC(N)=O)NC(=O)CCn1cc[nH+]c1 ZINC001449300831 913563544 /nfs/dbraw/zinc/56/35/44/913563544.db2.gz XJJWQHHZODGHKH-LLVKDONJSA-N 2 2 295.387 -0.121 20 0 CBADLP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CCn2c[nH+]cc2C1 ZINC001354018576 891498507 /nfs/dbraw/zinc/49/85/07/891498507.db2.gz HPZFKWXRKCVFGM-AAEUAGOBSA-N 2 2 264.329 -0.320 20 0 CBADLP C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CCn2c[nH+]cc2C1 ZINC001354018576 891498509 /nfs/dbraw/zinc/49/85/09/891498509.db2.gz HPZFKWXRKCVFGM-AAEUAGOBSA-N 2 2 264.329 -0.320 20 0 CBADLP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2C[NH2+]CCOC2)CC1 ZINC001354238827 891544116 /nfs/dbraw/zinc/54/41/16/891544116.db2.gz YVWPDJCGWAGUCZ-CQSZACIVSA-N 3 2 298.431 -0.445 20 0 CBADLP [NH3+][C@@H](CC(=O)Nc1cc2n(n1)CC[NH2+]C2)C(F)F ZINC001355427336 891675722 /nfs/dbraw/zinc/67/57/22/891675722.db2.gz XDCLPPJXRZGUTP-ZETCQYMHSA-N 2 2 259.260 -0.093 20 0 CBADLP O=C(NCCCN1CC[NH2+]CC1)[C@@H]1[NH2+]CCc2occc21 ZINC001356608159 891784507 /nfs/dbraw/zinc/78/45/07/891784507.db2.gz LQASCYWVQPSFRL-CQSZACIVSA-N 2 2 292.383 -0.122 20 0 CBADLP [NH3+]C[C@H](O)CC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC001357384325 891881450 /nfs/dbraw/zinc/88/14/50/891881450.db2.gz KPLYRGCLBBQQHH-SNVBAGLBSA-N 2 2 252.318 -0.175 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2C[C@H]([NH3+])[C@H]3C[C@H]32)CCO1 ZINC001357384229 891882031 /nfs/dbraw/zinc/88/20/31/891882031.db2.gz HUHAOMSVKBYDJI-LBELIVKGSA-N 2 2 267.373 -0.193 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2C[C@H]([NH3+])[C@H]3C[C@H]32)CCO1 ZINC001357384229 891882041 /nfs/dbraw/zinc/88/20/41/891882041.db2.gz HUHAOMSVKBYDJI-LBELIVKGSA-N 2 2 267.373 -0.193 20 0 CBADLP CO[C@H](C)CNC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001357514515 891907538 /nfs/dbraw/zinc/90/75/38/891907538.db2.gz GIPPYPDEYOFHEL-SNVBAGLBSA-N 2 2 258.366 -0.256 20 0 CBADLP CC1(C)C[NH2+]C[C@H]1NC(=O)/C=C\C[NH+]1CCOCC1 ZINC001358408241 892000477 /nfs/dbraw/zinc/00/04/77/892000477.db2.gz VEFCOJBGJMSKHN-VSQXVHSFSA-N 2 2 267.373 -0.011 20 0 CBADLP CC1(C)C[NH2+]C[C@@H]1NC(=O)/C=C/C[NH+]1CCOCC1 ZINC001358408239 892002519 /nfs/dbraw/zinc/00/25/19/892002519.db2.gz VEFCOJBGJMSKHN-PCAWENJQSA-N 2 2 267.373 -0.011 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC001362035660 892382610 /nfs/dbraw/zinc/38/26/10/892382610.db2.gz ROFGYCNWKJERGH-UHFFFAOYSA-N 2 2 293.371 -0.507 20 0 CBADLP CC[N@@H+]1CC[C@@H]1C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC001362120135 892447321 /nfs/dbraw/zinc/44/73/21/892447321.db2.gz XLGAWHRKACLPGS-CYBMUJFWSA-N 2 2 296.415 -0.251 20 0 CBADLP CC[N@H+]1CC[C@@H]1C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC001362120135 892447324 /nfs/dbraw/zinc/44/73/24/892447324.db2.gz XLGAWHRKACLPGS-CYBMUJFWSA-N 2 2 296.415 -0.251 20 0 CBADLP C[C@@H]1CN(C(=O)C[NH+]2CCC(CO)CC2)CC[N@@H+]1CCO ZINC001362381140 892640895 /nfs/dbraw/zinc/64/08/95/892640895.db2.gz XPMAQWXNJMUNTJ-CYBMUJFWSA-N 2 2 299.415 -0.784 20 0 CBADLP C[C@@H]1CN(C(=O)C[NH+]2CCC(CO)CC2)CC[N@H+]1CCO ZINC001362381140 892640903 /nfs/dbraw/zinc/64/09/03/892640903.db2.gz XPMAQWXNJMUNTJ-CYBMUJFWSA-N 2 2 299.415 -0.784 20 0 CBADLP C[C@H]1CN(C(=O)C[NH+](C)[C@@H]2CCC[C@H]2O)CC[N@@H+]1CCO ZINC001362700005 892941811 /nfs/dbraw/zinc/94/18/11/892941811.db2.gz AMOMILFMWOMBGI-BFHYXJOUSA-N 2 2 299.415 -0.643 20 0 CBADLP C[C@H]1CN(C(=O)C[NH+](C)[C@@H]2CCC[C@H]2O)CC[N@H+]1CCO ZINC001362700005 892941821 /nfs/dbraw/zinc/94/18/21/892941821.db2.gz AMOMILFMWOMBGI-BFHYXJOUSA-N 2 2 299.415 -0.643 20 0 CBADLP C[C@H]1CN(C(=O)C[N@H+](C)[C@@H]2CCC[C@H]2O)CC[NH+]1CCO ZINC001362700005 892941830 /nfs/dbraw/zinc/94/18/30/892941830.db2.gz AMOMILFMWOMBGI-BFHYXJOUSA-N 2 2 299.415 -0.643 20 0 CBADLP C[C@H]1CN(C(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2O)CC[NH+]1CCO ZINC001362700005 892941837 /nfs/dbraw/zinc/94/18/37/892941837.db2.gz AMOMILFMWOMBGI-BFHYXJOUSA-N 2 2 299.415 -0.643 20 0 CBADLP CC[N@@H+]1CC[C@H]1C(=O)N1CC([NH+](CCOC)CCOC)C1 ZINC001363191795 893442793 /nfs/dbraw/zinc/44/27/93/893442793.db2.gz WEVIDTPYJINMMJ-AWEZNQCLSA-N 2 2 299.415 -0.114 20 0 CBADLP CC[N@H+]1CC[C@H]1C(=O)N1CC([NH+](CCOC)CCOC)C1 ZINC001363191795 893442798 /nfs/dbraw/zinc/44/27/98/893442798.db2.gz WEVIDTPYJINMMJ-AWEZNQCLSA-N 2 2 299.415 -0.114 20 0 CBADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@H](CNS(C)(=O)=O)C1 ZINC001363297754 893555930 /nfs/dbraw/zinc/55/59/30/893555930.db2.gz LOFROMUZTWAOEY-LLVKDONJSA-N 2 2 286.401 -0.166 20 0 CBADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@H](CNS(C)(=O)=O)C1 ZINC001363297754 893555949 /nfs/dbraw/zinc/55/59/49/893555949.db2.gz LOFROMUZTWAOEY-LLVKDONJSA-N 2 2 286.401 -0.166 20 0 CBADLP CC[N@@H+]1CC[C@@H]1C(=O)N1CC[NH+](C)C[C@@H](C(=O)OC)C1 ZINC001363446554 893686871 /nfs/dbraw/zinc/68/68/71/893686871.db2.gz BOEVSBUAWWAPLK-VXGBXAGGSA-N 2 2 283.372 -0.356 20 0 CBADLP CC[N@H+]1CC[C@@H]1C(=O)N1CC[NH+](C)C[C@@H](C(=O)OC)C1 ZINC001363446554 893686882 /nfs/dbraw/zinc/68/68/82/893686882.db2.gz BOEVSBUAWWAPLK-VXGBXAGGSA-N 2 2 283.372 -0.356 20 0 CBADLP CC[NH+]1CC[C@@H]1C(=O)N1CC[N@H+](C)C[C@@H](C(=O)OC)C1 ZINC001363446554 893686899 /nfs/dbraw/zinc/68/68/99/893686899.db2.gz BOEVSBUAWWAPLK-VXGBXAGGSA-N 2 2 283.372 -0.356 20 0 CBADLP CC[NH+]1CC[C@@H]1C(=O)N1CC[N@@H+](C)C[C@@H](C(=O)OC)C1 ZINC001363446554 893686914 /nfs/dbraw/zinc/68/69/14/893686914.db2.gz BOEVSBUAWWAPLK-VXGBXAGGSA-N 2 2 283.372 -0.356 20 0 CBADLP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCc1c[nH+]c2n1CCC2 ZINC001363569298 893802629 /nfs/dbraw/zinc/80/26/29/893802629.db2.gz GSBVQNSPNUCXNZ-FZMZJTMJSA-N 2 2 278.356 -0.099 20 0 CBADLP C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCc1c[nH+]c2n1CCC2 ZINC001363569298 893802652 /nfs/dbraw/zinc/80/26/52/893802652.db2.gz GSBVQNSPNUCXNZ-FZMZJTMJSA-N 2 2 278.356 -0.099 20 0 CBADLP O[C@H]1COC[C@H]1[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001363919703 894097412 /nfs/dbraw/zinc/09/74/12/894097412.db2.gz FRBLQUPJNHADMS-MCIONIFRSA-N 2 2 270.373 -0.021 20 0 CBADLP CNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C)CC[NH+](C)C)CC1 ZINC001364181989 894238192 /nfs/dbraw/zinc/23/81/92/894238192.db2.gz MDCKIOBCHVUDLP-ZDUSSCGKSA-N 2 2 298.431 -0.146 20 0 CBADLP CNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](C)CC[NH+](C)C)CC1 ZINC001364181989 894238204 /nfs/dbraw/zinc/23/82/04/894238204.db2.gz MDCKIOBCHVUDLP-ZDUSSCGKSA-N 2 2 298.431 -0.146 20 0 CBADLP Cn1c[nH+]c(CCNC(=O)NC[C@](C)(O)C[NH+](C)C)c1 ZINC001364639896 894538434 /nfs/dbraw/zinc/53/84/34/894538434.db2.gz MWCAQXDXIWJUMJ-ZDUSSCGKSA-N 2 2 283.376 -0.426 20 0 CBADLP NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+](C[C@H]2CNC(=O)C2)CC1 ZINC001364654933 894548782 /nfs/dbraw/zinc/54/87/82/894548782.db2.gz FNYSKFLJBYVOQI-DGCLKSJQSA-N 2 2 294.399 -0.463 20 0 CBADLP NC(=O)[C@H]1CCC[N@H+]1C1CC[NH+](C[C@H]2CNC(=O)C2)CC1 ZINC001364654933 894548802 /nfs/dbraw/zinc/54/88/02/894548802.db2.gz FNYSKFLJBYVOQI-DGCLKSJQSA-N 2 2 294.399 -0.463 20 0 CBADLP COC(=O)Cn1cc(C[NH2+]C[C@@H]2C[NH+]3CCC2CC3)nn1 ZINC001364760469 894603846 /nfs/dbraw/zinc/60/38/46/894603846.db2.gz UXSDWURPWCYBQI-GFCCVEGCSA-N 2 2 293.371 -0.118 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC([NH2+]C2COC2)C1 ZINC001365051517 894737040 /nfs/dbraw/zinc/73/70/40/894737040.db2.gz YLSUKSMCVNMKRV-LLVKDONJSA-N 2 2 283.372 -0.846 20 0 CBADLP C[C@H](C(=O)N1CC([NH2+]C2COC2)C1)[NH+]1CCSCC1 ZINC001365051505 894737872 /nfs/dbraw/zinc/73/78/72/894737872.db2.gz YDACBHJXJFGMEY-SNVBAGLBSA-N 2 2 285.413 -0.377 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001365838627 895131966 /nfs/dbraw/zinc/13/19/66/895131966.db2.gz KQIKYZDNDZNAHL-DCAQKATOSA-N 2 2 291.355 -0.675 20 0 CBADLP CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001365949855 895148108 /nfs/dbraw/zinc/14/81/08/895148108.db2.gz OOOBFKBVECDNGN-OLZOCXBDSA-N 2 2 296.415 -0.345 20 0 CBADLP CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001365949855 895148115 /nfs/dbraw/zinc/14/81/15/895148115.db2.gz OOOBFKBVECDNGN-OLZOCXBDSA-N 2 2 296.415 -0.345 20 0 CBADLP CCNC(=O)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001365949855 895148124 /nfs/dbraw/zinc/14/81/24/895148124.db2.gz OOOBFKBVECDNGN-OLZOCXBDSA-N 2 2 296.415 -0.345 20 0 CBADLP CCNC(=O)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001365949855 895148133 /nfs/dbraw/zinc/14/81/33/895148133.db2.gz OOOBFKBVECDNGN-OLZOCXBDSA-N 2 2 296.415 -0.345 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+]([C@H](C)C(N)=O)C1 ZINC001366006755 895170436 /nfs/dbraw/zinc/17/04/36/895170436.db2.gz VZDCIEJFEUEFNA-GHMZBOCLSA-N 2 2 270.377 -0.609 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[NH+]([C@H](C)C(N)=O)C1 ZINC001366006755 895170444 /nfs/dbraw/zinc/17/04/44/895170444.db2.gz VZDCIEJFEUEFNA-GHMZBOCLSA-N 2 2 270.377 -0.609 20 0 CBADLP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001366006755 895170448 /nfs/dbraw/zinc/17/04/48/895170448.db2.gz VZDCIEJFEUEFNA-GHMZBOCLSA-N 2 2 270.377 -0.609 20 0 CBADLP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001366006755 895170455 /nfs/dbraw/zinc/17/04/55/895170455.db2.gz VZDCIEJFEUEFNA-GHMZBOCLSA-N 2 2 270.377 -0.609 20 0 CBADLP CC[C@@H](C(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCC2)C1)[NH+](C)C ZINC001366001574 895171028 /nfs/dbraw/zinc/17/10/28/895171028.db2.gz CZHIINQQKIXZTO-OLZOCXBDSA-N 2 2 296.415 -0.251 20 0 CBADLP CC[C@@H](C(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C1)[NH+](C)C ZINC001366001574 895171034 /nfs/dbraw/zinc/17/10/34/895171034.db2.gz CZHIINQQKIXZTO-OLZOCXBDSA-N 2 2 296.415 -0.251 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]Cc1nccn1C ZINC001366264808 895246633 /nfs/dbraw/zinc/24/66/33/895246633.db2.gz QEUPXODFYWVQRP-RYUDHWBXSA-N 2 2 295.387 -0.655 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]Cc1nccn1C ZINC001366264808 895246644 /nfs/dbraw/zinc/24/66/44/895246644.db2.gz QEUPXODFYWVQRP-RYUDHWBXSA-N 2 2 295.387 -0.655 20 0 CBADLP CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001366331002 895279141 /nfs/dbraw/zinc/27/91/41/895279141.db2.gz OCLFYJLSGMTPBT-WDEREUQCSA-N 2 2 295.387 -0.181 20 0 CBADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]Cc1cnn(C)c1 ZINC001366342261 895284653 /nfs/dbraw/zinc/28/46/53/895284653.db2.gz HMXAKSKOZNEHPK-LLVKDONJSA-N 2 2 290.371 -0.009 20 0 CBADLP CCCNC(=O)[C@H](C)[NH2+][C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001366335763 895286657 /nfs/dbraw/zinc/28/66/57/895286657.db2.gz CDLNJOPYQSRKAI-MNOVXSKESA-N 2 2 295.387 -0.039 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC[C@@H](C)[NH2+]Cc1ncnn1C ZINC001366355397 895291764 /nfs/dbraw/zinc/29/17/64/895291764.db2.gz CPZVCDFLRZMQPQ-SNVBAGLBSA-N 2 2 291.359 -0.385 20 0 CBADLP CC[C@H]([NH2+]C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1)C(N)=O ZINC001366402516 895314557 /nfs/dbraw/zinc/31/45/57/895314557.db2.gz ALPQXNPEOOUQGV-PWSUYJOCSA-N 2 2 293.371 -0.346 20 0 CBADLP CC[C@H]([NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1)C(N)=O ZINC001366413023 895316266 /nfs/dbraw/zinc/31/62/66/895316266.db2.gz VFALGZBCMZKLCC-RYUDHWBXSA-N 2 2 293.371 -0.415 20 0 CBADLP C[C@H](O)C[N@H+](C)CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001366546125 895367116 /nfs/dbraw/zinc/36/71/16/895367116.db2.gz MNWGGJLWCQMUFE-RYUDHWBXSA-N 2 2 280.372 -0.126 20 0 CBADLP C[C@H](O)C[N@@H+](C)CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001366546125 895367131 /nfs/dbraw/zinc/36/71/31/895367131.db2.gz MNWGGJLWCQMUFE-RYUDHWBXSA-N 2 2 280.372 -0.126 20 0 CBADLP C[N@H+](CCCO)CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001366546257 895368905 /nfs/dbraw/zinc/36/89/05/895368905.db2.gz NFNHQPPAHYBVAP-LBPRGKRZSA-N 2 2 280.372 -0.124 20 0 CBADLP C[N@@H+](CCCO)CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001366546257 895368924 /nfs/dbraw/zinc/36/89/24/895368924.db2.gz NFNHQPPAHYBVAP-LBPRGKRZSA-N 2 2 280.372 -0.124 20 0 CBADLP C[N@H+](CCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21)CC(N)=O ZINC001366574070 895390432 /nfs/dbraw/zinc/39/04/32/895390432.db2.gz MTVUITVKCUTDEQ-VXGBXAGGSA-N 2 2 282.388 -0.463 20 0 CBADLP C[N@@H+](CCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21)CC(N)=O ZINC001366574070 895390444 /nfs/dbraw/zinc/39/04/44/895390444.db2.gz MTVUITVKCUTDEQ-VXGBXAGGSA-N 2 2 282.388 -0.463 20 0 CBADLP C[NH+](CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21)CC(N)=O ZINC001366574070 895390455 /nfs/dbraw/zinc/39/04/55/895390455.db2.gz MTVUITVKCUTDEQ-VXGBXAGGSA-N 2 2 282.388 -0.463 20 0 CBADLP C[NH+](CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21)CC(N)=O ZINC001366574070 895390466 /nfs/dbraw/zinc/39/04/66/895390466.db2.gz MTVUITVKCUTDEQ-VXGBXAGGSA-N 2 2 282.388 -0.463 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001366674800 895426341 /nfs/dbraw/zinc/42/63/41/895426341.db2.gz IQDNVCJOJXZJHT-CHWSQXEVSA-N 2 2 296.415 -0.203 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+](C)C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001366871689 895471227 /nfs/dbraw/zinc/47/12/27/895471227.db2.gz OZWDPOVGNPYPAO-NWDGAFQWSA-N 2 2 293.371 -0.463 20 0 CBADLP C[C@H](C(N)=O)[N@@H+](C)C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001366871707 895474440 /nfs/dbraw/zinc/47/44/40/895474440.db2.gz OZWDPOVGNPYPAO-VXGBXAGGSA-N 2 2 293.371 -0.463 20 0 CBADLP CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001366901711 895480178 /nfs/dbraw/zinc/48/01/78/895480178.db2.gz MFXIGHAFGLKIIB-NSHDSACASA-N 2 2 270.377 -0.735 20 0 CBADLP CNC(=O)C[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001366901711 895480185 /nfs/dbraw/zinc/48/01/85/895480185.db2.gz MFXIGHAFGLKIIB-NSHDSACASA-N 2 2 270.377 -0.735 20 0 CBADLP O=C(CC[NH+]1CCOCC1)NC1C[NH+](C[C@H]2CCOC2)C1 ZINC001366940013 895499659 /nfs/dbraw/zinc/49/96/59/895499659.db2.gz KEBXZPAXKJFYFC-CYBMUJFWSA-N 2 2 297.399 -0.454 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CC(CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001366983444 895518297 /nfs/dbraw/zinc/51/82/97/895518297.db2.gz GXTHPEQUFPXVSC-GFCCVEGCSA-N 2 2 296.415 -0.360 20 0 CBADLP C[C@H](O)C[N@@H+]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001367014472 895529589 /nfs/dbraw/zinc/52/95/89/895529589.db2.gz VDCNEPRTEYMFKH-RYUDHWBXSA-N 2 2 280.372 -0.076 20 0 CBADLP C[C@H](O)C[N@H+]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001367014472 895529598 /nfs/dbraw/zinc/52/95/98/895529598.db2.gz VDCNEPRTEYMFKH-RYUDHWBXSA-N 2 2 280.372 -0.076 20 0 CBADLP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CC(=O)NCC2CC2)C1 ZINC001367015712 895532097 /nfs/dbraw/zinc/53/20/97/895532097.db2.gz MMFPDKIFOILTQX-ZDUSSCGKSA-N 2 2 296.415 -0.345 20 0 CBADLP C[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC2CC2)C1 ZINC001367015712 895532107 /nfs/dbraw/zinc/53/21/07/895532107.db2.gz MMFPDKIFOILTQX-ZDUSSCGKSA-N 2 2 296.415 -0.345 20 0 CBADLP C[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001367018784 895532273 /nfs/dbraw/zinc/53/22/73/895532273.db2.gz SECZSTIMBBKDQL-NEPJUHHUSA-N 2 2 280.372 -0.076 20 0 CBADLP C[C@@H](O)C[N@H+]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001367018784 895532281 /nfs/dbraw/zinc/53/22/81/895532281.db2.gz SECZSTIMBBKDQL-NEPJUHHUSA-N 2 2 280.372 -0.076 20 0 CBADLP CC[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+][C@H]1CCN(C)C1=O ZINC001367152760 895577808 /nfs/dbraw/zinc/57/78/08/895577808.db2.gz MDQJWUMTEIJKNN-RYUDHWBXSA-N 2 2 293.371 -0.402 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@](C)(C[NH2+]CC(N)=O)C1CC1 ZINC001367229645 895584683 /nfs/dbraw/zinc/58/46/83/895584683.db2.gz JIRLSLSAYQLCNV-CQSZACIVSA-N 2 2 293.371 -0.380 20 0 CBADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+][C@@H](C)C(=O)N(C)C ZINC001367292517 895605012 /nfs/dbraw/zinc/60/50/12/895605012.db2.gz ROXWUFNTYSDDJT-RYUDHWBXSA-N 2 2 295.387 -0.298 20 0 CBADLP O=C(CCC[NH+]1CCCC1)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001367309838 895612274 /nfs/dbraw/zinc/61/22/74/895612274.db2.gz SAVRFHRRXZNCFY-CQSZACIVSA-N 2 2 299.415 -0.328 20 0 CBADLP O=C(CCC[NH+]1CCCC1)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001367309838 895612279 /nfs/dbraw/zinc/61/22/79/895612279.db2.gz SAVRFHRRXZNCFY-CQSZACIVSA-N 2 2 299.415 -0.328 20 0 CBADLP CC(C)[NH+](C)CC(=O)NC[C@H]1C[N@H+](C[C@@H](C)O)CCO1 ZINC001367310580 895612561 /nfs/dbraw/zinc/61/25/61/895612561.db2.gz VPJRXTIQFLJWFY-OLZOCXBDSA-N 2 2 287.404 -0.476 20 0 CBADLP CC(C)[NH+](C)CC(=O)NC[C@H]1C[N@@H+](C[C@@H](C)O)CCO1 ZINC001367310580 895612569 /nfs/dbraw/zinc/61/25/69/895612569.db2.gz VPJRXTIQFLJWFY-OLZOCXBDSA-N 2 2 287.404 -0.476 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NC[C@H]1C[NH+](C[C@@H](C)O)CCO1 ZINC001367310580 895612574 /nfs/dbraw/zinc/61/25/74/895612574.db2.gz VPJRXTIQFLJWFY-OLZOCXBDSA-N 2 2 287.404 -0.476 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NC[C@H]1C[NH+](C[C@@H](C)O)CCO1 ZINC001367310580 895612582 /nfs/dbraw/zinc/61/25/82/895612582.db2.gz VPJRXTIQFLJWFY-OLZOCXBDSA-N 2 2 287.404 -0.476 20 0 CBADLP CC(C)[NH+](C)CC(=O)NC[C@H]1C[N@H+](C[C@H](C)O)CCO1 ZINC001367310584 895613283 /nfs/dbraw/zinc/61/32/83/895613283.db2.gz VPJRXTIQFLJWFY-STQMWFEESA-N 2 2 287.404 -0.476 20 0 CBADLP CC(C)[NH+](C)CC(=O)NC[C@H]1C[N@@H+](C[C@H](C)O)CCO1 ZINC001367310584 895613289 /nfs/dbraw/zinc/61/32/89/895613289.db2.gz VPJRXTIQFLJWFY-STQMWFEESA-N 2 2 287.404 -0.476 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NC[C@H]1C[NH+](C[C@H](C)O)CCO1 ZINC001367310584 895613293 /nfs/dbraw/zinc/61/32/93/895613293.db2.gz VPJRXTIQFLJWFY-STQMWFEESA-N 2 2 287.404 -0.476 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NC[C@H]1C[NH+](C[C@H](C)O)CCO1 ZINC001367310584 895613302 /nfs/dbraw/zinc/61/33/02/895613302.db2.gz VPJRXTIQFLJWFY-STQMWFEESA-N 2 2 287.404 -0.476 20 0 CBADLP CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001367398491 895633356 /nfs/dbraw/zinc/63/33/56/895633356.db2.gz NYYPJXIXTMPQQI-JTQLQIEISA-N 2 2 281.360 -0.475 20 0 CBADLP CN(CC[N@H+](C)[C@H]1CCNC1=O)C(=O)[C@H]1CCCC[NH+]1C ZINC001367519344 895651495 /nfs/dbraw/zinc/65/14/95/895651495.db2.gz AHHBVGZQAMMRMK-QWHCGFSZSA-N 2 2 296.415 -0.251 20 0 CBADLP CN(CC[N@@H+](C)[C@H]1CCNC1=O)C(=O)[C@H]1CCCC[NH+]1C ZINC001367519344 895651507 /nfs/dbraw/zinc/65/15/07/895651507.db2.gz AHHBVGZQAMMRMK-QWHCGFSZSA-N 2 2 296.415 -0.251 20 0 CBADLP CN(CC[NH+](C)[C@H]1CCNC1=O)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001367519344 895651521 /nfs/dbraw/zinc/65/15/21/895651521.db2.gz AHHBVGZQAMMRMK-QWHCGFSZSA-N 2 2 296.415 -0.251 20 0 CBADLP CN(CC[NH+](C)[C@H]1CCNC1=O)C(=O)[C@H]1CCCC[N@H+]1C ZINC001367519344 895651526 /nfs/dbraw/zinc/65/15/26/895651526.db2.gz AHHBVGZQAMMRMK-QWHCGFSZSA-N 2 2 296.415 -0.251 20 0 CBADLP CN(CC[N@H+](C)[C@@H]1CCNC1=O)C(=O)[C@@H]1CCCC[NH+]1C ZINC001367519338 895653117 /nfs/dbraw/zinc/65/31/17/895653117.db2.gz AHHBVGZQAMMRMK-OLZOCXBDSA-N 2 2 296.415 -0.251 20 0 CBADLP CN(CC[N@@H+](C)[C@@H]1CCNC1=O)C(=O)[C@@H]1CCCC[NH+]1C ZINC001367519338 895653121 /nfs/dbraw/zinc/65/31/21/895653121.db2.gz AHHBVGZQAMMRMK-OLZOCXBDSA-N 2 2 296.415 -0.251 20 0 CBADLP CN(CC[NH+](C)[C@@H]1CCNC1=O)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001367519338 895653123 /nfs/dbraw/zinc/65/31/23/895653123.db2.gz AHHBVGZQAMMRMK-OLZOCXBDSA-N 2 2 296.415 -0.251 20 0 CBADLP CN(CC[NH+](C)[C@@H]1CCNC1=O)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001367519338 895653127 /nfs/dbraw/zinc/65/31/27/895653127.db2.gz AHHBVGZQAMMRMK-OLZOCXBDSA-N 2 2 296.415 -0.251 20 0 CBADLP CNC(=O)C[N@H+](C)CCN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001367545044 895656642 /nfs/dbraw/zinc/65/66/42/895656642.db2.gz HJMARLJUNPLPFT-LBPRGKRZSA-N 2 2 284.404 -0.536 20 0 CBADLP CNC(=O)C[N@@H+](C)CCN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001367545044 895656654 /nfs/dbraw/zinc/65/66/54/895656654.db2.gz HJMARLJUNPLPFT-LBPRGKRZSA-N 2 2 284.404 -0.536 20 0 CBADLP CNC(=O)C[NH+](C)CCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001367545044 895656659 /nfs/dbraw/zinc/65/66/59/895656659.db2.gz HJMARLJUNPLPFT-LBPRGKRZSA-N 2 2 284.404 -0.536 20 0 CBADLP CNC(=O)C[NH+](C)CCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001367545044 895656664 /nfs/dbraw/zinc/65/66/64/895656664.db2.gz HJMARLJUNPLPFT-LBPRGKRZSA-N 2 2 284.404 -0.536 20 0 CBADLP CO[C@@H](C)C[NH2+]C[C@H](O)CNC(=O)Cc1c[nH+]cn1C ZINC001367624459 895711469 /nfs/dbraw/zinc/71/14/69/895711469.db2.gz QCOBUWQIVDEAAG-JQWIXIFHSA-N 2 2 284.360 -0.936 20 0 CBADLP C[C@H](C[NH2+][C@H]1CCNC1=O)NC(=O)CCc1[nH+]ccn1C ZINC001367687957 895742898 /nfs/dbraw/zinc/74/28/98/895742898.db2.gz JVWGLDNSJKQXOT-MNOVXSKESA-N 2 2 293.371 -0.665 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)C[NH2+][C@H]1CCNC1=O ZINC001367711822 895758985 /nfs/dbraw/zinc/75/89/85/895758985.db2.gz PKNGHCFOAZVWBQ-SCZZXKLOSA-N 2 2 279.344 -0.757 20 0 CBADLP C[C@@H](C[NH2+][C@H]1CCN(C)C1=O)NC(=O)Cn1cc[nH+]c1 ZINC001367774862 895801546 /nfs/dbraw/zinc/80/15/46/895801546.db2.gz WLEIJKLSRYFEKQ-QWRGUYRKSA-N 2 2 279.344 -0.792 20 0 CBADLP C[C@@H](C[NH2+][C@H]1CCNC1=O)NC(=O)CCCn1cc[nH+]c1 ZINC001367779759 895805703 /nfs/dbraw/zinc/80/57/03/895805703.db2.gz MYNIXKSKRWIZHS-RYUDHWBXSA-N 2 2 293.371 -0.354 20 0 CBADLP CC[C@H](C(N)=O)[N@H+](C)C[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001367820923 895821122 /nfs/dbraw/zinc/82/11/22/895821122.db2.gz OMYULBNUWWYIKS-VXGBXAGGSA-N 2 2 295.387 -0.026 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+](C)C[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001367820923 895821132 /nfs/dbraw/zinc/82/11/32/895821132.db2.gz OMYULBNUWWYIKS-VXGBXAGGSA-N 2 2 295.387 -0.026 20 0 CBADLP CC(C)OCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001367936949 895859740 /nfs/dbraw/zinc/85/97/40/895859740.db2.gz OTASIGFNOBROJW-ZIAGYGMSSA-N 2 2 299.415 -0.068 20 0 CBADLP CC(C)OCC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001367936949 895859750 /nfs/dbraw/zinc/85/97/50/895859750.db2.gz OTASIGFNOBROJW-ZIAGYGMSSA-N 2 2 299.415 -0.068 20 0 CBADLP CC(C)OCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001367936949 895859758 /nfs/dbraw/zinc/85/97/58/895859758.db2.gz OTASIGFNOBROJW-ZIAGYGMSSA-N 2 2 299.415 -0.068 20 0 CBADLP CC(C)OCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001367936949 895859765 /nfs/dbraw/zinc/85/97/65/895859765.db2.gz OTASIGFNOBROJW-ZIAGYGMSSA-N 2 2 299.415 -0.068 20 0 CBADLP COC[C@H](O)C[N@@H+]1CC[C@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001367972401 895873258 /nfs/dbraw/zinc/87/32/58/895873258.db2.gz KXQMQKHNLNDOTG-NWDGAFQWSA-N 2 2 296.371 -0.542 20 0 CBADLP COC[C@H](O)C[N@H+]1CC[C@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001367972401 895873270 /nfs/dbraw/zinc/87/32/70/895873270.db2.gz KXQMQKHNLNDOTG-NWDGAFQWSA-N 2 2 296.371 -0.542 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001368115793 895917379 /nfs/dbraw/zinc/91/73/79/895917379.db2.gz CSMPKQUSRDGPPP-JTQLQIEISA-N 2 2 279.344 -0.721 20 0 CBADLP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1(O)C[NH+](C[C@@H](C)O)C1 ZINC001368294557 895968648 /nfs/dbraw/zinc/96/86/48/895968648.db2.gz LTLWKVFLYJCHRM-OLZOCXBDSA-N 2 2 299.415 -0.597 20 0 CBADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1(O)C[NH+](C[C@@H](C)O)C1 ZINC001368294557 895968660 /nfs/dbraw/zinc/96/86/60/895968660.db2.gz LTLWKVFLYJCHRM-OLZOCXBDSA-N 2 2 299.415 -0.597 20 0 CBADLP COC[C@H](O)C[NH2+]C1(CNC(=O)Cc2c[nH]c[nH+]2)CCC1 ZINC001368489490 896019916 /nfs/dbraw/zinc/01/99/16/896019916.db2.gz OCAKHBJRDLKPQA-GFCCVEGCSA-N 2 2 296.371 -0.412 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)NC[C@H]1C[C@@H]([NH2+]CCO)C1 ZINC001368498740 896021823 /nfs/dbraw/zinc/02/18/23/896021823.db2.gz QYRYUARNYOHEEW-TXEJJXNPSA-N 2 2 280.372 -0.171 20 0 CBADLP C[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CCO1 ZINC001368511629 896026714 /nfs/dbraw/zinc/02/67/14/896026714.db2.gz VMDDLUGLWGKMHN-QWHCGFSZSA-N 2 2 296.371 -0.529 20 0 CBADLP C[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001368537395 896028727 /nfs/dbraw/zinc/02/87/27/896028727.db2.gz WKMRONMDBGDSEU-CMPLNLGQSA-N 2 2 282.344 -0.850 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)NC[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001368569269 896037623 /nfs/dbraw/zinc/03/76/23/896037623.db2.gz CECBCGWIBHQVGB-XYPYZODXSA-N 2 2 293.371 -0.678 20 0 CBADLP C[C@@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1nnnn1C ZINC001368748249 896072598 /nfs/dbraw/zinc/07/25/98/896072598.db2.gz HHBOAZFUNBVQIX-JTQLQIEISA-N 2 2 292.347 -0.909 20 0 CBADLP CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](CC(N)=O)[C@@H]1C)[NH+](C)C ZINC001368778914 896080770 /nfs/dbraw/zinc/08/07/70/896080770.db2.gz QVWFKYBKGJHZLP-MDZLAQPJSA-N 2 2 284.404 -0.363 20 0 CBADLP CC(C)[C@@H](C(=O)N[C@H]1CC[N@@H+](CC(N)=O)[C@@H]1C)[NH+](C)C ZINC001368778914 896080782 /nfs/dbraw/zinc/08/07/82/896080782.db2.gz QVWFKYBKGJHZLP-MDZLAQPJSA-N 2 2 284.404 -0.363 20 0 CBADLP CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001369077255 896151175 /nfs/dbraw/zinc/15/11/75/896151175.db2.gz RJCMRBHSKPOFSW-RISCZKNCSA-N 2 2 298.431 -0.245 20 0 CBADLP C[C@@H]([NH2+]C[C@H](C1CC1)N(C)C(=O)Cc1c[nH+]c[nH]1)C(N)=O ZINC001369215425 896171364 /nfs/dbraw/zinc/17/13/64/896171364.db2.gz HXYKHDOLIPKESD-BXKDBHETSA-N 2 2 293.371 -0.347 20 0 CBADLP C[C@H](CN(C)C(=O)CCc1c[nH+]cn1C)[NH2+]CC(N)=O ZINC001369292764 896188259 /nfs/dbraw/zinc/18/82/59/896188259.db2.gz JTIBELCWLCILGS-SNVBAGLBSA-N 2 2 281.360 -0.726 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@@H](C)[NH2+][C@H](C)C(N)=O ZINC001369304705 896194341 /nfs/dbraw/zinc/19/43/41/896194341.db2.gz YMXWRAHQWIQXNS-PSASIEDQSA-N 2 2 281.360 -0.429 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)NC[C@H](CO)[NH2+]CC1CC1 ZINC001369369658 896245233 /nfs/dbraw/zinc/24/52/33/896245233.db2.gz JUGUCOZHKZZSQS-GFCCVEGCSA-N 2 2 280.372 -0.171 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@@H](CO)[NH2+]CC[C@@H]1CCOC1 ZINC001369373121 896247378 /nfs/dbraw/zinc/24/73/78/896247378.db2.gz JRHUOEGCQLOXHS-OLZOCXBDSA-N 2 2 296.371 -0.624 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@H](CO)[NH2+]CC[C@@H]1CCOC1 ZINC001369373120 896247868 /nfs/dbraw/zinc/24/78/68/896247868.db2.gz JRHUOEGCQLOXHS-CHWSQXEVSA-N 2 2 296.371 -0.624 20 0 CBADLP CCNC(=O)C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@@H]1C ZINC001369401310 896258545 /nfs/dbraw/zinc/25/85/45/896258545.db2.gz IQCPYPSLRABMDX-NEPJUHHUSA-N 2 2 293.371 -0.402 20 0 CBADLP COC[C@@H](C)[NH2+]C[C@H](O)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001369477144 896286921 /nfs/dbraw/zinc/28/69/21/896286921.db2.gz DTVDMBZJAZZVJM-YPMHNXCESA-N 2 2 298.387 -0.594 20 0 CBADLP C[C@@H](O)C[N@H+](C)C[C@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001369515278 896309768 /nfs/dbraw/zinc/30/97/68/896309768.db2.gz DRQUOUKKVMWUON-PWSUYJOCSA-N 2 2 284.360 -0.916 20 0 CBADLP C[C@@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001369515278 896309784 /nfs/dbraw/zinc/30/97/84/896309784.db2.gz DRQUOUKKVMWUON-PWSUYJOCSA-N 2 2 284.360 -0.916 20 0 CBADLP C[NH+](C)CC1(C(=O)N[C@H]2CCC[N@H+](CC(N)=O)C2)CC1 ZINC001369844073 896350754 /nfs/dbraw/zinc/35/07/54/896350754.db2.gz OHJMWSYKLKYOMN-NSHDSACASA-N 2 2 282.388 -0.606 20 0 CBADLP C[NH+](C)CC1(C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)C2)CC1 ZINC001369844073 896350765 /nfs/dbraw/zinc/35/07/65/896350765.db2.gz OHJMWSYKLKYOMN-NSHDSACASA-N 2 2 282.388 -0.606 20 0 CBADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)N(C)C(=O)CC[NH+](C)C ZINC001369966990 896374058 /nfs/dbraw/zinc/37/40/58/896374058.db2.gz SSFRRBKEIQIYMX-NSHDSACASA-N 2 2 295.387 -0.133 20 0 CBADLP CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001369977182 896379045 /nfs/dbraw/zinc/37/90/45/896379045.db2.gz BZTMCQYRASDNFS-NWDGAFQWSA-N 2 2 284.404 -0.347 20 0 CBADLP CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001369977182 896379054 /nfs/dbraw/zinc/37/90/54/896379054.db2.gz BZTMCQYRASDNFS-NWDGAFQWSA-N 2 2 284.404 -0.347 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001369989010 896383064 /nfs/dbraw/zinc/38/30/64/896383064.db2.gz WCGJUIGFSRTZCF-MNOVXSKESA-N 2 2 282.388 -0.465 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001369989010 896383079 /nfs/dbraw/zinc/38/30/79/896383079.db2.gz WCGJUIGFSRTZCF-MNOVXSKESA-N 2 2 282.388 -0.465 20 0 CBADLP CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001370006697 896386941 /nfs/dbraw/zinc/38/69/41/896386941.db2.gz QSODDOBULCUDGX-OLZOCXBDSA-N 2 2 296.415 -0.203 20 0 CBADLP CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001370006697 896386958 /nfs/dbraw/zinc/38/69/58/896386958.db2.gz QSODDOBULCUDGX-OLZOCXBDSA-N 2 2 296.415 -0.203 20 0 CBADLP CCNC(=O)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001370006697 896386974 /nfs/dbraw/zinc/38/69/74/896386974.db2.gz QSODDOBULCUDGX-OLZOCXBDSA-N 2 2 296.415 -0.203 20 0 CBADLP CCNC(=O)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001370006697 896386994 /nfs/dbraw/zinc/38/69/94/896386994.db2.gz QSODDOBULCUDGX-OLZOCXBDSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001370549147 896440463 /nfs/dbraw/zinc/44/04/63/896440463.db2.gz RDLFZQJNMSLYFF-GMTAPVOTSA-N 2 2 293.371 -0.368 20 0 CBADLP COC[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001370712817 896486940 /nfs/dbraw/zinc/48/69/40/896486940.db2.gz PXINGJGIMHZRCT-TUAOUCFPSA-N 2 2 296.371 -0.495 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC001371445610 896612222 /nfs/dbraw/zinc/61/22/22/896612222.db2.gz SNQQGOMHIPFVMZ-QWRGUYRKSA-N 2 2 295.387 -0.419 20 0 CBADLP CC[C@H]([NH2+]C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1)C(N)=O ZINC001371615327 896644270 /nfs/dbraw/zinc/64/42/70/896644270.db2.gz LBMGNDIQBUNDMJ-MNOVXSKESA-N 2 2 293.371 -0.346 20 0 CBADLP C[C@H](O)C[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001371641875 896644375 /nfs/dbraw/zinc/64/43/75/896644375.db2.gz ZCVMARKFUDFJBQ-NWDGAFQWSA-N 2 2 280.372 -0.219 20 0 CBADLP C[C@H](CC(=O)N1CC[C@@H](C[NH2+]CC(N)=O)C1)n1cc[nH+]c1 ZINC001371621984 896644501 /nfs/dbraw/zinc/64/45/01/896644501.db2.gz WSXADIYRCSCTIG-NEPJUHHUSA-N 2 2 293.371 -0.242 20 0 CBADLP CCNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001371969001 896698149 /nfs/dbraw/zinc/69/81/49/896698149.db2.gz LFYYPRSDIAQKBW-VXGBXAGGSA-N 2 2 284.404 -0.489 20 0 CBADLP CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001371969001 896698160 /nfs/dbraw/zinc/69/81/60/896698160.db2.gz LFYYPRSDIAQKBW-VXGBXAGGSA-N 2 2 284.404 -0.489 20 0 CBADLP CCNC(=O)C[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001371969001 896698171 /nfs/dbraw/zinc/69/81/71/896698171.db2.gz LFYYPRSDIAQKBW-VXGBXAGGSA-N 2 2 284.404 -0.489 20 0 CBADLP CCNC(=O)C[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001371969001 896698181 /nfs/dbraw/zinc/69/81/81/896698181.db2.gz LFYYPRSDIAQKBW-VXGBXAGGSA-N 2 2 284.404 -0.489 20 0 CBADLP CNC(=O)C[N@H+](C)CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001372234101 896753731 /nfs/dbraw/zinc/75/37/31/896753731.db2.gz DJFQFJDUEZANNR-VXGBXAGGSA-N 2 2 284.404 -0.347 20 0 CBADLP CNC(=O)C[N@@H+](C)CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001372234101 896753739 /nfs/dbraw/zinc/75/37/39/896753739.db2.gz DJFQFJDUEZANNR-VXGBXAGGSA-N 2 2 284.404 -0.347 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CCC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001372562074 896807555 /nfs/dbraw/zinc/80/75/55/896807555.db2.gz BIVPDAUPCGIEGL-MNOVXSKESA-N 2 2 293.371 -0.583 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CCC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001372562074 896807560 /nfs/dbraw/zinc/80/75/60/896807560.db2.gz BIVPDAUPCGIEGL-MNOVXSKESA-N 2 2 293.371 -0.583 20 0 CBADLP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CCC[NH+]2CC(N)=O)C1 ZINC001372560298 896809237 /nfs/dbraw/zinc/80/92/37/896809237.db2.gz WEZLWQBYGJTBIB-RYUDHWBXSA-N 2 2 282.388 -0.606 20 0 CBADLP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2CCC[NH+]2CC(N)=O)C1 ZINC001372560298 896809248 /nfs/dbraw/zinc/80/92/48/896809248.db2.gz WEZLWQBYGJTBIB-RYUDHWBXSA-N 2 2 282.388 -0.606 20 0 CBADLP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2CCC[N@@H+]2CC(N)=O)C1 ZINC001372560298 896809264 /nfs/dbraw/zinc/80/92/64/896809264.db2.gz WEZLWQBYGJTBIB-RYUDHWBXSA-N 2 2 282.388 -0.606 20 0 CBADLP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2CCC[N@H+]2CC(N)=O)C1 ZINC001372560298 896809283 /nfs/dbraw/zinc/80/92/83/896809283.db2.gz WEZLWQBYGJTBIB-RYUDHWBXSA-N 2 2 282.388 -0.606 20 0 CBADLP CN(C)C(=O)C[N@@H+]1CCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001372591792 896818881 /nfs/dbraw/zinc/81/88/81/896818881.db2.gz OCJACDPFSUYTGZ-LBPRGKRZSA-N 2 2 293.371 -0.448 20 0 CBADLP CN(C)C(=O)C[N@H+]1CCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001372591792 896818892 /nfs/dbraw/zinc/81/88/92/896818892.db2.gz OCJACDPFSUYTGZ-LBPRGKRZSA-N 2 2 293.371 -0.448 20 0 CBADLP NC(=O)C[N@@H+]1CC[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001372631620 896828149 /nfs/dbraw/zinc/82/81/49/896828149.db2.gz FUUSQELBHNMEHD-LLVKDONJSA-N 2 2 279.344 -0.803 20 0 CBADLP NC(=O)C[N@H+]1CC[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001372631620 896828164 /nfs/dbraw/zinc/82/81/64/896828164.db2.gz FUUSQELBHNMEHD-LLVKDONJSA-N 2 2 279.344 -0.803 20 0 CBADLP C[C@@H]([NH2+]CCN(C)C(=O)CCc1c[nH]c[nH+]1)C(=O)N(C)C ZINC001372936254 896908820 /nfs/dbraw/zinc/90/88/20/896908820.db2.gz FPOXOOBOTFALKS-LLVKDONJSA-N 2 2 295.387 -0.133 20 0 CBADLP C[C@@H]([NH2+]CCN(C)C(=O)CCc1c[nH+]c[nH]1)C(=O)N(C)C ZINC001372936254 896908829 /nfs/dbraw/zinc/90/88/29/896908829.db2.gz FPOXOOBOTFALKS-LLVKDONJSA-N 2 2 295.387 -0.133 20 0 CBADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001372962078 896916528 /nfs/dbraw/zinc/91/65/28/896916528.db2.gz YVOLKNSGMNSSPN-VXGBXAGGSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001372962078 896916542 /nfs/dbraw/zinc/91/65/42/896916542.db2.gz YVOLKNSGMNSSPN-VXGBXAGGSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001373118121 896944889 /nfs/dbraw/zinc/94/48/89/896944889.db2.gz NPNNNVWCKJVZRN-MNOVXSKESA-N 2 2 293.371 -0.475 20 0 CBADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001373118121 896944901 /nfs/dbraw/zinc/94/49/01/896944901.db2.gz NPNNNVWCKJVZRN-MNOVXSKESA-N 2 2 293.371 -0.475 20 0 CBADLP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[NH+]([C@H](C)C(N)=O)C1 ZINC001373385784 896989834 /nfs/dbraw/zinc/98/98/34/896989834.db2.gz WUMYZAKDZIKTDY-VXGBXAGGSA-N 2 2 284.404 -0.217 20 0 CBADLP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[NH+]([C@H](C)C(N)=O)C1 ZINC001373385784 896989852 /nfs/dbraw/zinc/98/98/52/896989852.db2.gz WUMYZAKDZIKTDY-VXGBXAGGSA-N 2 2 284.404 -0.217 20 0 CBADLP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001373385784 896989866 /nfs/dbraw/zinc/98/98/66/896989866.db2.gz WUMYZAKDZIKTDY-VXGBXAGGSA-N 2 2 284.404 -0.217 20 0 CBADLP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@H+]([C@H](C)C(N)=O)C1 ZINC001373385784 896989874 /nfs/dbraw/zinc/98/98/74/896989874.db2.gz WUMYZAKDZIKTDY-VXGBXAGGSA-N 2 2 284.404 -0.217 20 0 CBADLP CN(CCNC(=O)[C@@H]1CCC[N@@H+]1C)C(=O)Cc1c[nH+]c[nH]1 ZINC001373378302 896992243 /nfs/dbraw/zinc/99/22/43/896992243.db2.gz HNAKTFAQQRGSSK-LBPRGKRZSA-N 2 2 293.371 -0.379 20 0 CBADLP CN(CCNC(=O)[C@@H]1CCC[N@H+]1C)C(=O)Cc1c[nH+]c[nH]1 ZINC001373378302 896992252 /nfs/dbraw/zinc/99/22/52/896992252.db2.gz HNAKTFAQQRGSSK-LBPRGKRZSA-N 2 2 293.371 -0.379 20 0 CBADLP CCNC(=O)C[NH+]1CC(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001373517011 897038233 /nfs/dbraw/zinc/03/82/33/897038233.db2.gz PXODNMVSROQEHT-GFCCVEGCSA-N 2 2 284.404 -0.489 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001373596494 897067141 /nfs/dbraw/zinc/06/71/41/897067141.db2.gz TYFOQYACZWOCBT-QWRGUYRKSA-N 2 2 282.388 -0.465 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001373596494 897067159 /nfs/dbraw/zinc/06/71/59/897067159.db2.gz TYFOQYACZWOCBT-QWRGUYRKSA-N 2 2 282.388 -0.465 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001373596494 897067172 /nfs/dbraw/zinc/06/71/72/897067172.db2.gz TYFOQYACZWOCBT-QWRGUYRKSA-N 2 2 282.388 -0.465 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001373596494 897067189 /nfs/dbraw/zinc/06/71/89/897067189.db2.gz TYFOQYACZWOCBT-QWRGUYRKSA-N 2 2 282.388 -0.465 20 0 CBADLP COC[C@H](O)C[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001373609536 897069914 /nfs/dbraw/zinc/06/99/14/897069914.db2.gz YIBAPVCSRFZKPC-WCQYABFASA-N 2 2 296.371 -0.840 20 0 CBADLP COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001373609536 897069932 /nfs/dbraw/zinc/06/99/32/897069932.db2.gz YIBAPVCSRFZKPC-WCQYABFASA-N 2 2 296.371 -0.840 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001373631190 897082967 /nfs/dbraw/zinc/08/29/67/897082967.db2.gz TYFOQYACZWOCBT-WDEREUQCSA-N 2 2 282.388 -0.465 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001373631190 897082984 /nfs/dbraw/zinc/08/29/84/897082984.db2.gz TYFOQYACZWOCBT-WDEREUQCSA-N 2 2 282.388 -0.465 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001373631190 897083001 /nfs/dbraw/zinc/08/30/01/897083001.db2.gz TYFOQYACZWOCBT-WDEREUQCSA-N 2 2 282.388 -0.465 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001373631190 897083012 /nfs/dbraw/zinc/08/30/12/897083012.db2.gz TYFOQYACZWOCBT-WDEREUQCSA-N 2 2 282.388 -0.465 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N(C)[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001373700056 897101050 /nfs/dbraw/zinc/10/10/50/897101050.db2.gz WXPXISNABJPOTR-LLVKDONJSA-N 2 2 270.377 -0.655 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N(C)[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001373700056 897101057 /nfs/dbraw/zinc/10/10/57/897101057.db2.gz WXPXISNABJPOTR-LLVKDONJSA-N 2 2 270.377 -0.655 20 0 CBADLP CC(C)[NH+](C)CC(=O)N(C)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001373700056 897101062 /nfs/dbraw/zinc/10/10/62/897101062.db2.gz WXPXISNABJPOTR-LLVKDONJSA-N 2 2 270.377 -0.655 20 0 CBADLP CC(C)[NH+](C)CC(=O)N(C)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001373700056 897101069 /nfs/dbraw/zinc/10/10/69/897101069.db2.gz WXPXISNABJPOTR-LLVKDONJSA-N 2 2 270.377 -0.655 20 0 CBADLP CC[C@@H](CNC(=O)CCc1c[nH+]cn1C)[NH2+][C@@H](C)C(N)=O ZINC001373823393 897131445 /nfs/dbraw/zinc/13/14/45/897131445.db2.gz WIZNDTJHRREUDF-QWRGUYRKSA-N 2 2 295.387 -0.289 20 0 CBADLP CN(C)C(=O)C[NH2+]C[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001373965773 897145516 /nfs/dbraw/zinc/14/55/16/897145516.db2.gz MRDIWTXKCCZTQS-GFCCVEGCSA-N 2 2 293.371 -0.379 20 0 CBADLP C[C@H](CNC(=O)CCn1cc[nH+]c1)C[NH2+][C@H]1CCNC1=O ZINC001374048906 897160213 /nfs/dbraw/zinc/16/02/13/897160213.db2.gz FQQKJLIRGFQTAM-RYUDHWBXSA-N 2 2 293.371 -0.496 20 0 CBADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)C[NH2+][C@@H]1CCN(C)C1=O ZINC001374089097 897168008 /nfs/dbraw/zinc/16/80/08/897168008.db2.gz CMBZZVXLNPHNFA-GHMZBOCLSA-N 2 2 293.371 -0.475 20 0 CBADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C[NH2+][C@H]1CCN(C)C1=O ZINC001374079096 897168146 /nfs/dbraw/zinc/16/81/46/897168146.db2.gz ODPZYTUWCBNCEN-PWSUYJOCSA-N 2 2 293.371 -0.475 20 0 CBADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)C[NH2+]Cc1cn(C)nn1 ZINC001374089834 897168918 /nfs/dbraw/zinc/16/89/18/897168918.db2.gz HSWZISSZDFSKAP-JTQLQIEISA-N 2 2 291.359 -0.377 20 0 CBADLP C[C@H](C[NH2+]CC(N)=O)N(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001374248713 897197599 /nfs/dbraw/zinc/19/75/99/897197599.db2.gz WTICVSPBQYFPCU-GHMZBOCLSA-N 2 2 293.371 -0.633 20 0 CBADLP C[C@H](C[NH2+]CC(=O)N1CCC1)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001374293103 897206600 /nfs/dbraw/zinc/20/66/00/897206600.db2.gz HNJFHOFEIWMTRR-LLVKDONJSA-N 2 2 293.371 -0.379 20 0 CBADLP CNC(=O)C[NH2+][C@@H](CNC(=O)CCc1c[nH]c[nH+]1)C(C)C ZINC001374425237 897224294 /nfs/dbraw/zinc/22/42/94/897224294.db2.gz KZNVZCDHIYOAQX-LBPRGKRZSA-N 2 2 295.387 -0.181 20 0 CBADLP CNC(=O)C[NH2+][C@@H](CNC(=O)CCc1c[nH+]c[nH]1)C(C)C ZINC001374425237 897224311 /nfs/dbraw/zinc/22/43/11/897224311.db2.gz KZNVZCDHIYOAQX-LBPRGKRZSA-N 2 2 295.387 -0.181 20 0 CBADLP CC(C)[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+][C@@H]1CCNC1=O ZINC001374452287 897227624 /nfs/dbraw/zinc/22/76/24/897227624.db2.gz KSVMLLUWNKLYCU-NEPJUHHUSA-N 2 2 293.371 -0.498 20 0 CBADLP CC(C)[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+][C@@H]1CCNC1=O ZINC001374452298 897229472 /nfs/dbraw/zinc/22/94/72/897229472.db2.gz KSVMLLUWNKLYCU-VXGBXAGGSA-N 2 2 293.371 -0.498 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]([NH2+]CC(N)=O)C(C)C ZINC001374440836 897229957 /nfs/dbraw/zinc/22/99/57/897229957.db2.gz BKOKYNFBNSTFBA-LLVKDONJSA-N 2 2 281.360 -0.524 20 0 CBADLP CN(CC[N@H+](C)CC(=O)N1CCC1)C(=O)[C@H]1CCC[NH+]1C ZINC001374520171 897246255 /nfs/dbraw/zinc/24/62/55/897246255.db2.gz LULPIWFEXOUMOC-CYBMUJFWSA-N 2 2 296.415 -0.297 20 0 CBADLP CN(CC[N@@H+](C)CC(=O)N1CCC1)C(=O)[C@H]1CCC[NH+]1C ZINC001374520171 897246268 /nfs/dbraw/zinc/24/62/68/897246268.db2.gz LULPIWFEXOUMOC-CYBMUJFWSA-N 2 2 296.415 -0.297 20 0 CBADLP CN(CC[NH+](C)CC(=O)N1CCC1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001374520171 897246284 /nfs/dbraw/zinc/24/62/84/897246284.db2.gz LULPIWFEXOUMOC-CYBMUJFWSA-N 2 2 296.415 -0.297 20 0 CBADLP CN(CC[NH+](C)CC(=O)N1CCC1)C(=O)[C@H]1CCC[N@H+]1C ZINC001374520171 897246299 /nfs/dbraw/zinc/24/62/99/897246299.db2.gz LULPIWFEXOUMOC-CYBMUJFWSA-N 2 2 296.415 -0.297 20 0 CBADLP NC(=O)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001374571779 897271527 /nfs/dbraw/zinc/27/15/27/897271527.db2.gz KUOJUHWUIYHFOU-ZJUUUORDSA-N 2 2 279.344 -0.688 20 0 CBADLP CC[NH2+]C[C@H](O)CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001374600893 897299448 /nfs/dbraw/zinc/29/94/48/897299448.db2.gz AOSMDEYRAYHCJD-GWCFXTLKSA-N 2 2 295.387 -0.123 20 0 CBADLP CC[NH2+]C[C@H](O)CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001374600893 897299465 /nfs/dbraw/zinc/29/94/65/897299465.db2.gz AOSMDEYRAYHCJD-GWCFXTLKSA-N 2 2 295.387 -0.123 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H](O)C[NH2+]C[C@H]1CCCCO1 ZINC001374656741 897328749 /nfs/dbraw/zinc/32/87/49/897328749.db2.gz HYNYIKIUEACQNK-NWDGAFQWSA-N 2 2 296.371 -0.412 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H](O)C[NH2+]C[C@@H]1CCCCO1 ZINC001374656745 897330718 /nfs/dbraw/zinc/33/07/18/897330718.db2.gz HYNYIKIUEACQNK-RYUDHWBXSA-N 2 2 296.371 -0.412 20 0 CBADLP C[C@@H](CC[NH2+][C@@H](C)C(N)=O)NC(=O)CCc1[nH+]ccn1C ZINC001374694906 897345638 /nfs/dbraw/zinc/34/56/38/897345638.db2.gz LSFDMMMEGRCBSK-QWRGUYRKSA-N 2 2 295.387 -0.289 20 0 CBADLP C[C@H](CC[NH2+][C@@H]1CCCNC1=O)NC(=O)Cc1[nH]cc[nH+]1 ZINC001374708639 897353686 /nfs/dbraw/zinc/35/36/86/897353686.db2.gz VNHQITIMNZGYOV-GHMZBOCLSA-N 2 2 293.371 -0.285 20 0 CBADLP CC[C@@H]([NH2+]CC[C@@H](C)NC(=O)Cc1c[nH+]cn1C)C(N)=O ZINC001374710869 897354470 /nfs/dbraw/zinc/35/44/70/897354470.db2.gz ZNQIXTDUZKXPBJ-ZYHUDNBSSA-N 2 2 295.387 -0.289 20 0 CBADLP C[C@@H]([NH2+]CC[C@H](C)NC(=O)CCc1c[nH+]cn1C)C(N)=O ZINC001374708203 897355510 /nfs/dbraw/zinc/35/55/10/897355510.db2.gz MCLIJUAGDPAVLF-WDEREUQCSA-N 2 2 295.387 -0.289 20 0 CBADLP CCN(CC[NH2+][C@@H]1CCNC1=O)C(=O)Cc1c[nH+]c[nH]1 ZINC001374749832 897370455 /nfs/dbraw/zinc/37/04/55/897370455.db2.gz IDZBTDISRFZABE-LLVKDONJSA-N 2 2 279.344 -0.721 20 0 CBADLP C[C@H](C[NH2+]Cc1ccnn1C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001374746542 897372744 /nfs/dbraw/zinc/37/27/44/897372744.db2.gz SOZXTHZSZRCBBP-DGCLKSJQSA-N 2 2 295.387 -0.655 20 0 CBADLP C[C@H](C[NH2+]Cc1ccnn1C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001374746542 897372761 /nfs/dbraw/zinc/37/27/61/897372761.db2.gz SOZXTHZSZRCBBP-DGCLKSJQSA-N 2 2 295.387 -0.655 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001374781039 897386901 /nfs/dbraw/zinc/38/69/01/897386901.db2.gz JQEXZVFUAKSGLN-GHMZBOCLSA-N 2 2 293.371 -0.714 20 0 CBADLP C[C@H](C[NH2+][C@H]1CCCN(C)C1=O)NC(=O)Cc1[nH]cc[nH+]1 ZINC001374825251 897404077 /nfs/dbraw/zinc/40/40/77/897404077.db2.gz IGJJCIYOVVTMNX-MNOVXSKESA-N 2 2 293.371 -0.333 20 0 CBADLP C[C@H](C[NH2+][C@@H](C)C(=O)NC1CC1)NC(=O)Cn1cc[nH+]c1 ZINC001374854172 897411691 /nfs/dbraw/zinc/41/16/91/897411691.db2.gz WNBCQOIUZJEBJW-MNOVXSKESA-N 2 2 293.371 -0.356 20 0 CBADLP C[C@@H]([NH2+]C[C@H](C)NC(=O)c1cc(C[NH+](C)C)on1)C(N)=O ZINC001374903186 897427372 /nfs/dbraw/zinc/42/73/72/897427372.db2.gz BZDKHVJBMUJNGT-DTWKUNHWSA-N 2 2 297.359 -0.682 20 0 CBADLP C[C@@H](C[NH2+]CC(=O)N(C)C)NC(=O)CCn1cc[nH+]c1 ZINC001374919530 897431105 /nfs/dbraw/zinc/43/11/05/897431105.db2.gz DWOSNXFKSHIKOW-NSHDSACASA-N 2 2 281.360 -0.544 20 0 CBADLP CCNC(=O)C[NH2+]C[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001374962253 897444144 /nfs/dbraw/zinc/44/41/44/897444144.db2.gz RXPVUHJFXIGZET-JTQLQIEISA-N 2 2 281.360 -0.807 20 0 CBADLP CC(C)NC(=O)C[NH2+]C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001374982638 897446140 /nfs/dbraw/zinc/44/61/40/897446140.db2.gz BLMXWSOTLIWCJS-NSHDSACASA-N 2 2 281.360 -0.498 20 0 CBADLP C[C@@H](C[N@H+](C)Cc1cnnn1C)NC(=O)[C@H]1CCC[NH+]1C ZINC001375017574 897459844 /nfs/dbraw/zinc/45/98/44/897459844.db2.gz ICIPZKIWRXODAA-WCQYABFASA-N 2 2 294.403 -0.154 20 0 CBADLP C[C@@H](C[N@@H+](C)Cc1cnnn1C)NC(=O)[C@H]1CCC[NH+]1C ZINC001375017574 897459851 /nfs/dbraw/zinc/45/98/51/897459851.db2.gz ICIPZKIWRXODAA-WCQYABFASA-N 2 2 294.403 -0.154 20 0 CBADLP C[C@@H](C[NH+](C)Cc1cnnn1C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001375017574 897459856 /nfs/dbraw/zinc/45/98/56/897459856.db2.gz ICIPZKIWRXODAA-WCQYABFASA-N 2 2 294.403 -0.154 20 0 CBADLP C[C@@H](C[NH+](C)Cc1cnnn1C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001375017574 897459864 /nfs/dbraw/zinc/45/98/64/897459864.db2.gz ICIPZKIWRXODAA-WCQYABFASA-N 2 2 294.403 -0.154 20 0 CBADLP CCC[N@H+](C)CC(=O)NC[C@@H]1CC[NH+]1[C@H](C)C(=O)NC ZINC001375365060 897525742 /nfs/dbraw/zinc/52/57/42/897525742.db2.gz GMBVEZSYFFNMPC-NEPJUHHUSA-N 2 2 284.404 -0.347 20 0 CBADLP CCC[N@@H+](C)CC(=O)NC[C@@H]1CC[NH+]1[C@H](C)C(=O)NC ZINC001375365060 897525750 /nfs/dbraw/zinc/52/57/50/897525750.db2.gz GMBVEZSYFFNMPC-NEPJUHHUSA-N 2 2 284.404 -0.347 20 0 CBADLP CCC[NH+](C)CC(=O)NC[C@@H]1CC[N@@H+]1[C@H](C)C(=O)NC ZINC001375365060 897525763 /nfs/dbraw/zinc/52/57/63/897525763.db2.gz GMBVEZSYFFNMPC-NEPJUHHUSA-N 2 2 284.404 -0.347 20 0 CBADLP CCC[NH+](C)CC(=O)NC[C@@H]1CC[N@H+]1[C@H](C)C(=O)NC ZINC001375365060 897525774 /nfs/dbraw/zinc/52/57/74/897525774.db2.gz GMBVEZSYFFNMPC-NEPJUHHUSA-N 2 2 284.404 -0.347 20 0 CBADLP COCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001375375007 897531827 /nfs/dbraw/zinc/53/18/27/897531827.db2.gz VJCRSCCYJDWZGE-ZIAGYGMSSA-N 2 2 299.415 -0.208 20 0 CBADLP COCC[N@H+]1CC[C@@H]1CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001375375007 897531834 /nfs/dbraw/zinc/53/18/34/897531834.db2.gz VJCRSCCYJDWZGE-ZIAGYGMSSA-N 2 2 299.415 -0.208 20 0 CBADLP CN(C[C@H]1CC[N@@H+]1CCO)C(=O)CCc1c[nH+]cn1C ZINC001375464376 897546153 /nfs/dbraw/zinc/54/61/53/897546153.db2.gz FDYJMSHPEGQZKO-CYBMUJFWSA-N 2 2 280.372 -0.122 20 0 CBADLP CN(C[C@H]1CC[N@H+]1CCO)C(=O)CCc1c[nH+]cn1C ZINC001375464376 897546162 /nfs/dbraw/zinc/54/61/62/897546162.db2.gz FDYJMSHPEGQZKO-CYBMUJFWSA-N 2 2 280.372 -0.122 20 0 CBADLP C[C@@H]([NH2+]C1(CNC(=O)C[C@H](C)n2cc[nH+]c2)CC1)C(N)=O ZINC001375490307 897556997 /nfs/dbraw/zinc/55/69/97/897556997.db2.gz MNQLNWTYGMERHP-WDEREUQCSA-N 2 2 293.371 -0.054 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)CCc2c[nH+]cn2C)CC[N@@H+]1CCO ZINC001375671100 897585131 /nfs/dbraw/zinc/58/51/31/897585131.db2.gz PPTWIULXHQQASW-YPMHNXCESA-N 2 2 280.372 -0.076 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)CCc2c[nH+]cn2C)CC[N@H+]1CCO ZINC001375671100 897585139 /nfs/dbraw/zinc/58/51/39/897585139.db2.gz PPTWIULXHQQASW-YPMHNXCESA-N 2 2 280.372 -0.076 20 0 CBADLP CC(C)(C(=O)N1CCC[C@@H]1C[NH2+]CC(N)=O)c1c[nH+]c[nH]1 ZINC001375767777 897608284 /nfs/dbraw/zinc/60/82/84/897608284.db2.gz PYGGLLWVUCYWQX-SNVBAGLBSA-N 2 2 293.371 -0.247 20 0 CBADLP CC[N@@H+]1CC[C@@](O)(CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001376085648 897649974 /nfs/dbraw/zinc/64/99/74/897649974.db2.gz AEZKYCLXSGDJRS-CQSZACIVSA-N 2 2 280.372 -0.074 20 0 CBADLP CC[N@H+]1CC[C@@](O)(CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001376085648 897649984 /nfs/dbraw/zinc/64/99/84/897649984.db2.gz AEZKYCLXSGDJRS-CQSZACIVSA-N 2 2 280.372 -0.074 20 0 CBADLP CO[C@H](C)C[NH+]1CC(O)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001376144086 897670674 /nfs/dbraw/zinc/67/06/74/897670674.db2.gz UCJRTXCFPUCKLJ-NEPJUHHUSA-N 2 2 285.388 -0.722 20 0 CBADLP CO[C@H](C)C[NH+]1CC(O)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001376144086 897670683 /nfs/dbraw/zinc/67/06/83/897670683.db2.gz UCJRTXCFPUCKLJ-NEPJUHHUSA-N 2 2 285.388 -0.722 20 0 CBADLP CC[C@@H](C)C[NH+]1CC(O)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001376150247 897676409 /nfs/dbraw/zinc/67/64/09/897676409.db2.gz PJHSPFVFSPAKET-OLZOCXBDSA-N 2 2 299.415 -0.474 20 0 CBADLP CC[C@@H](C)C[NH+]1CC(O)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001376150247 897676419 /nfs/dbraw/zinc/67/64/19/897676419.db2.gz PJHSPFVFSPAKET-OLZOCXBDSA-N 2 2 299.415 -0.474 20 0 CBADLP COC[C@@H](O)C[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001376167658 897678854 /nfs/dbraw/zinc/67/88/54/897678854.db2.gz CVGBIDUEDSAFNN-NEPJUHHUSA-N 2 2 282.344 -0.919 20 0 CBADLP COC[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001376167658 897678861 /nfs/dbraw/zinc/67/88/61/897678861.db2.gz CVGBIDUEDSAFNN-NEPJUHHUSA-N 2 2 282.344 -0.919 20 0 CBADLP O=C(NCC1(O)C[NH+](CCCF)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001376168176 897679547 /nfs/dbraw/zinc/67/95/47/897679547.db2.gz GVQVWDKEDRNEFE-CYBMUJFWSA-N 2 2 299.390 -0.149 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001376247785 897698493 /nfs/dbraw/zinc/69/84/93/897698493.db2.gz XBYSOSMTDAFPOJ-CABZTGNLSA-N 2 2 293.371 -0.429 20 0 CBADLP CC[NH+]1CC(O)(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001376297131 897707589 /nfs/dbraw/zinc/70/75/89/897707589.db2.gz NDEMDALCGSJXLI-LBPRGKRZSA-N 2 2 285.388 -0.863 20 0 CBADLP COC[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001376393970 897724229 /nfs/dbraw/zinc/72/42/29/897724229.db2.gz BPRMZRKVXWLDRK-GVXVVHGQSA-N 2 2 296.371 -0.793 20 0 CBADLP CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001376403125 897727348 /nfs/dbraw/zinc/72/73/48/897727348.db2.gz QKUTYUROMKXJPL-SRVKXCTJSA-N 2 2 293.371 -0.183 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H](C[NH2+]CC(N)=O)C1 ZINC001376562128 897776503 /nfs/dbraw/zinc/77/65/03/897776503.db2.gz WDBAMEQEBURJDJ-LLVKDONJSA-N 2 2 293.371 -0.426 20 0 CBADLP CNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001376563418 897777383 /nfs/dbraw/zinc/77/73/83/897777383.db2.gz CNBBJRAZGGCYCZ-GFCCVEGCSA-N 2 2 293.371 -0.543 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001376563422 897778097 /nfs/dbraw/zinc/77/80/97/897778097.db2.gz CNBBJRAZGGCYCZ-LBPRGKRZSA-N 2 2 293.371 -0.543 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CCCC[C@H]1C[NH2+]CC(N)=O ZINC001376612267 897783839 /nfs/dbraw/zinc/78/38/39/897783839.db2.gz PLIKSGVFBDHWTD-NSHDSACASA-N 2 2 293.371 -0.581 20 0 CBADLP CCNC(=O)C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001376922466 897890534 /nfs/dbraw/zinc/89/05/34/897890534.db2.gz QCNXDRLUJOEIMW-NSHDSACASA-N 2 2 279.344 -0.790 20 0 CBADLP NC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001376939678 897896763 /nfs/dbraw/zinc/89/67/63/897896763.db2.gz URSGFDBEWUMTMN-HBNTYKKESA-N 2 2 291.355 -0.563 20 0 CBADLP NC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001376939678 897896771 /nfs/dbraw/zinc/89/67/71/897896771.db2.gz URSGFDBEWUMTMN-HBNTYKKESA-N 2 2 291.355 -0.563 20 0 CBADLP CNC(=O)C[N@H+](C)CCCN(C)C(=O)CCn1cc[nH+]c1 ZINC001376966226 897905255 /nfs/dbraw/zinc/90/52/55/897905255.db2.gz MQWRDZVXWJWNMT-UHFFFAOYSA-N 2 2 295.387 -0.201 20 0 CBADLP CNC(=O)C[N@@H+](C)CCCN(C)C(=O)CCn1cc[nH+]c1 ZINC001376966226 897905260 /nfs/dbraw/zinc/90/52/60/897905260.db2.gz MQWRDZVXWJWNMT-UHFFFAOYSA-N 2 2 295.387 -0.201 20 0 CBADLP C[C@H](CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)[NH2+]CC(N)=O ZINC001377047669 897917302 /nfs/dbraw/zinc/91/73/02/897917302.db2.gz KTGNPKKRDYIGFD-GHMZBOCLSA-N 2 2 293.371 -0.585 20 0 CBADLP CC[C@H](C(=O)NC[C@@H]1CCC2(C[NH+](CCO)C2)O1)[NH+](C)C ZINC001377059520 897922835 /nfs/dbraw/zinc/92/28/35/897922835.db2.gz LPKHIKJCPQODIP-QWHCGFSZSA-N 2 2 299.415 -0.332 20 0 CBADLP COC[C@@H](C)[NH+]1CC2(C1)C[C@@H](NC(=O)CC[NH+](C)C)CO2 ZINC001377070333 897926517 /nfs/dbraw/zinc/92/65/17/897926517.db2.gz AOQMQIIMGUIMLC-CHWSQXEVSA-N 2 2 299.415 -0.068 20 0 CBADLP CC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)Cc1cnnn1C ZINC001377343452 898020928 /nfs/dbraw/zinc/02/09/28/898020928.db2.gz OIMNUVRVQRAGFJ-CYBMUJFWSA-N 2 2 294.403 -0.153 20 0 CBADLP CC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)Cc1cnnn1C ZINC001377343452 898020940 /nfs/dbraw/zinc/02/09/40/898020940.db2.gz OIMNUVRVQRAGFJ-CYBMUJFWSA-N 2 2 294.403 -0.153 20 0 CBADLP CC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)Cc1cnnn1C ZINC001377343452 898020948 /nfs/dbraw/zinc/02/09/48/898020948.db2.gz OIMNUVRVQRAGFJ-CYBMUJFWSA-N 2 2 294.403 -0.153 20 0 CBADLP CC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)Cc1cnnn1C ZINC001377343452 898020960 /nfs/dbraw/zinc/02/09/60/898020960.db2.gz OIMNUVRVQRAGFJ-CYBMUJFWSA-N 2 2 294.403 -0.153 20 0 CBADLP CC[N@H+](CCNC(=O)C[NH+]1CCC(C)CC1)CC(=O)NC ZINC001377351218 898021738 /nfs/dbraw/zinc/02/17/38/898021738.db2.gz YMFHCEWVNFMOQS-UHFFFAOYSA-N 2 2 298.431 -0.098 20 0 CBADLP CC[N@@H+](CCNC(=O)C[NH+]1CCC(C)CC1)CC(=O)NC ZINC001377351218 898021752 /nfs/dbraw/zinc/02/17/52/898021752.db2.gz YMFHCEWVNFMOQS-UHFFFAOYSA-N 2 2 298.431 -0.098 20 0 CBADLP COC[C@H](O)C[N@@H+]1CCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001377429604 898046012 /nfs/dbraw/zinc/04/60/12/898046012.db2.gz ZGEPXOOCWWJMSZ-CHWSQXEVSA-N 2 2 296.371 -0.529 20 0 CBADLP COC[C@H](O)C[N@H+]1CCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001377429604 898046024 /nfs/dbraw/zinc/04/60/24/898046024.db2.gz ZGEPXOOCWWJMSZ-CHWSQXEVSA-N 2 2 296.371 -0.529 20 0 CBADLP CC[C@H](C(=O)NCC[N@H+](CC(=O)N(C)C)C1CC1)[NH+](C)C ZINC001377536261 898082540 /nfs/dbraw/zinc/08/25/40/898082540.db2.gz LMBDNCNKTRIVJL-CYBMUJFWSA-N 2 2 298.431 -0.005 20 0 CBADLP CC[C@H](C(=O)NCC[N@@H+](CC(=O)N(C)C)C1CC1)[NH+](C)C ZINC001377536261 898082552 /nfs/dbraw/zinc/08/25/52/898082552.db2.gz LMBDNCNKTRIVJL-CYBMUJFWSA-N 2 2 298.431 -0.005 20 0 CBADLP C[C@H](O)C[N@H+](CCNC(=O)Cc1c[nH+]cn1C)C1CC1 ZINC001377556935 898087481 /nfs/dbraw/zinc/08/74/81/898087481.db2.gz FFEFPTFSYXVGNN-NSHDSACASA-N 2 2 280.372 -0.076 20 0 CBADLP C[C@H](O)C[N@@H+](CCNC(=O)Cc1c[nH+]cn1C)C1CC1 ZINC001377556935 898087489 /nfs/dbraw/zinc/08/74/89/898087489.db2.gz FFEFPTFSYXVGNN-NSHDSACASA-N 2 2 280.372 -0.076 20 0 CBADLP CC[C@@H]([NH2+]CCN(C)C(=O)CCc1c[nH+]cn1C)C(N)=O ZINC001377588044 898098002 /nfs/dbraw/zinc/09/80/02/898098002.db2.gz FJQJOYBILFWLSM-GFCCVEGCSA-N 2 2 295.387 -0.335 20 0 CBADLP C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@@H](C)[NH2+]Cc1cnnn1C ZINC001377863936 898152331 /nfs/dbraw/zinc/15/23/31/898152331.db2.gz TWNFJRRUEMZISE-NXEZZACHSA-N 2 2 291.359 -0.236 20 0 CBADLP C[N@@H+]1CC[C@@H](CC(=O)NCC2C[NH+]([C@H]3CCNC3=O)C2)C1 ZINC001378015067 898198701 /nfs/dbraw/zinc/19/87/01/898198701.db2.gz HDGVEWANEFDKDJ-AAEUAGOBSA-N 2 2 294.399 -0.735 20 0 CBADLP C[N@H+]1CC[C@@H](CC(=O)NCC2C[NH+]([C@H]3CCNC3=O)C2)C1 ZINC001378015067 898198708 /nfs/dbraw/zinc/19/87/08/898198708.db2.gz HDGVEWANEFDKDJ-AAEUAGOBSA-N 2 2 294.399 -0.735 20 0 CBADLP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)C ZINC001378038826 898210122 /nfs/dbraw/zinc/21/01/22/898210122.db2.gz BIXVOMDMYFIBNC-AVGNSLFASA-N 2 2 296.415 -0.300 20 0 CBADLP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)C ZINC001378038826 898210137 /nfs/dbraw/zinc/21/01/37/898210137.db2.gz BIXVOMDMYFIBNC-AVGNSLFASA-N 2 2 296.415 -0.300 20 0 CBADLP CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001378062698 898224275 /nfs/dbraw/zinc/22/42/75/898224275.db2.gz PUKQNURPJMXZHM-FRRDWIJNSA-N 2 2 296.415 -0.347 20 0 CBADLP CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001378062698 898224292 /nfs/dbraw/zinc/22/42/92/898224292.db2.gz PUKQNURPJMXZHM-FRRDWIJNSA-N 2 2 296.415 -0.347 20 0 CBADLP CCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001378062698 898224310 /nfs/dbraw/zinc/22/43/10/898224310.db2.gz PUKQNURPJMXZHM-FRRDWIJNSA-N 2 2 296.415 -0.347 20 0 CBADLP CCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001378062698 898224325 /nfs/dbraw/zinc/22/43/25/898224325.db2.gz PUKQNURPJMXZHM-FRRDWIJNSA-N 2 2 296.415 -0.347 20 0 CBADLP CC[NH+](CC)CC(=O)NC[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001454623315 914236031 /nfs/dbraw/zinc/23/60/31/914236031.db2.gz FCCFNNUMENTJOK-LBPRGKRZSA-N 2 2 295.387 -0.154 20 0 CBADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)C[NH2+][C@H]1CCCNC1=O ZINC001378614489 898370555 /nfs/dbraw/zinc/37/05/55/898370555.db2.gz PVXRKEJSZGVTQU-JQWIXIFHSA-N 2 2 293.371 -0.427 20 0 CBADLP C[C@H](O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3c[nH+]cn3C)[C@@H]2C1 ZINC001378742726 898397449 /nfs/dbraw/zinc/39/74/49/898397449.db2.gz BFWPJXOIQPNJPX-DOERSZECSA-N 2 2 292.383 -0.363 20 0 CBADLP C[C@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3c[nH+]cn3C)[C@@H]2C1 ZINC001378742726 898397465 /nfs/dbraw/zinc/39/74/65/898397465.db2.gz BFWPJXOIQPNJPX-DOERSZECSA-N 2 2 292.383 -0.363 20 0 CBADLP CC(C)[C@H](CNC(=O)CCc1[nH+]ccn1C)[NH2+]CC(N)=O ZINC001378969169 898436478 /nfs/dbraw/zinc/43/64/78/898436478.db2.gz RKTXBDLSWMJRAS-NSHDSACASA-N 2 2 295.387 -0.432 20 0 CBADLP CN(CC[N@@H+](C)[C@@H]1CCCNC1=O)C(=O)Cn1cc[nH+]c1 ZINC001379142936 898474785 /nfs/dbraw/zinc/47/47/85/898474785.db2.gz GJDHFSJRNIBUOD-GFCCVEGCSA-N 2 2 293.371 -0.448 20 0 CBADLP CN(CC[N@H+](C)[C@@H]1CCCNC1=O)C(=O)Cn1cc[nH+]c1 ZINC001379142936 898474779 /nfs/dbraw/zinc/47/47/79/898474779.db2.gz GJDHFSJRNIBUOD-GFCCVEGCSA-N 2 2 293.371 -0.448 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)CC[NH2+][C@@H](C)C(N)=O ZINC001379358243 898572383 /nfs/dbraw/zinc/57/23/83/898572383.db2.gz APMDBOGBBFVGPQ-SCZZXKLOSA-N 2 2 281.360 -0.381 20 0 CBADLP Cc1cn(C(C)(C)C(=O)N[C@H](C)C[NH2+]CC(N)=O)c[nH+]1 ZINC001379387648 898593759 /nfs/dbraw/zinc/59/37/59/898593759.db2.gz ZTXTXHNTMIWXOS-SECBINFHSA-N 2 2 281.360 -0.494 20 0 CBADLP C[C@H](C[NH2+]CC(N)=O)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001379379516 898594008 /nfs/dbraw/zinc/59/40/08/898594008.db2.gz AEDHHUSCXWYNPE-ZJUUUORDSA-N 2 2 279.344 -0.975 20 0 CBADLP CC[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc1nccn1C)[NH+](C)C ZINC001379439445 898615504 /nfs/dbraw/zinc/61/55/04/898615504.db2.gz QMQDWADPGQXPSF-NWDGAFQWSA-N 2 2 297.403 -0.673 20 0 CBADLP C[C@H](C[NH2+]CC(=O)N(C)C1CC1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001379454765 898621387 /nfs/dbraw/zinc/62/13/87/898621387.db2.gz WZXZPRJHVDUCBK-SNVBAGLBSA-N 2 2 293.371 -0.333 20 0 CBADLP Cc1cnc(C[NH2+][C@H](CO)CNC(=O)CC[NH+](C)C)nc1 ZINC001379465226 898624274 /nfs/dbraw/zinc/62/42/74/898624274.db2.gz DBDYNFRXCWMQDC-LBPRGKRZSA-N 2 2 295.387 -0.697 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC[C@@H](CO)[NH2+]CCC1CC1 ZINC001379510248 898649779 /nfs/dbraw/zinc/64/97/79/898649779.db2.gz RZNMEYZEJQBTKE-LBPRGKRZSA-N 2 2 280.372 -0.171 20 0 CBADLP COC[C@@H](C)[NH2+][C@@H](CO)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001379510470 898650174 /nfs/dbraw/zinc/65/01/74/898650174.db2.gz YMZFSEWFIJEGFY-NXEZZACHSA-N 2 2 270.333 -0.946 20 0 CBADLP COC[C@@H](C)[NH2+][C@H](CO)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001379510473 898651037 /nfs/dbraw/zinc/65/10/37/898651037.db2.gz YMZFSEWFIJEGFY-ZJUUUORDSA-N 2 2 270.333 -0.946 20 0 CBADLP CC[C@H](F)C[NH2+][C@@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001379537149 898660538 /nfs/dbraw/zinc/66/05/38/898660538.db2.gz JXUZELNYUILJFM-WDEREUQCSA-N 2 2 272.324 -0.302 20 0 CBADLP CCN1CC[C@H]([NH2+]C[C@H](C)NC(=O)Cc2[nH]cc[nH+]2)C1=O ZINC001379560608 898669147 /nfs/dbraw/zinc/66/91/47/898669147.db2.gz IHTCIDSIBJUGIF-QWRGUYRKSA-N 2 2 293.371 -0.333 20 0 CBADLP CNC(=O)[C@H](C)[N@H+](C)C[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001379717749 898706346 /nfs/dbraw/zinc/70/63/46/898706346.db2.gz FGGHZNDIFSJRHU-RYUDHWBXSA-N 2 2 295.387 -0.156 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+](C)C[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001379717749 898706355 /nfs/dbraw/zinc/70/63/55/898706355.db2.gz FGGHZNDIFSJRHU-RYUDHWBXSA-N 2 2 295.387 -0.156 20 0 CBADLP CCNC(=O)C[N@H+](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001379790305 898731945 /nfs/dbraw/zinc/73/19/45/898731945.db2.gz OAIIUDPVWAWEPK-NSHDSACASA-N 2 2 295.387 -0.236 20 0 CBADLP CCNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001379790305 898731962 /nfs/dbraw/zinc/73/19/62/898731962.db2.gz OAIIUDPVWAWEPK-NSHDSACASA-N 2 2 295.387 -0.236 20 0 CBADLP CC(C)N(CC[N@H+](C)CC(N)=O)C(=O)[C@H]1CCC[NH+]1C ZINC001379996543 898781415 /nfs/dbraw/zinc/78/14/15/898781415.db2.gz AOAGNLYABYYUFZ-GFCCVEGCSA-N 2 2 284.404 -0.265 20 0 CBADLP CC(C)N(CC[N@@H+](C)CC(N)=O)C(=O)[C@H]1CCC[NH+]1C ZINC001379996543 898781424 /nfs/dbraw/zinc/78/14/24/898781424.db2.gz AOAGNLYABYYUFZ-GFCCVEGCSA-N 2 2 284.404 -0.265 20 0 CBADLP CC(C)N(CC[NH+](C)CC(N)=O)C(=O)[C@H]1CCC[N@@H+]1C ZINC001379996543 898781439 /nfs/dbraw/zinc/78/14/39/898781439.db2.gz AOAGNLYABYYUFZ-GFCCVEGCSA-N 2 2 284.404 -0.265 20 0 CBADLP CC(C)N(CC[NH+](C)CC(N)=O)C(=O)[C@H]1CCC[N@H+]1C ZINC001379996543 898781454 /nfs/dbraw/zinc/78/14/54/898781454.db2.gz AOAGNLYABYYUFZ-GFCCVEGCSA-N 2 2 284.404 -0.265 20 0 CBADLP CN(C[C@@H](O)C[N@H+](C)CCO)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001379974982 898781513 /nfs/dbraw/zinc/78/15/13/898781513.db2.gz JMSVAYPYQVFXKO-NSHDSACASA-N 2 2 298.387 -0.569 20 0 CBADLP CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001379974982 898781526 /nfs/dbraw/zinc/78/15/26/898781526.db2.gz JMSVAYPYQVFXKO-NSHDSACASA-N 2 2 298.387 -0.569 20 0 CBADLP CC(C)N(CC[N@H+](C)CC(N)=O)C(=O)[C@@H]1CCC[NH+]1C ZINC001379996550 898783093 /nfs/dbraw/zinc/78/30/93/898783093.db2.gz AOAGNLYABYYUFZ-LBPRGKRZSA-N 2 2 284.404 -0.265 20 0 CBADLP CC(C)N(CC[N@@H+](C)CC(N)=O)C(=O)[C@@H]1CCC[NH+]1C ZINC001379996550 898783098 /nfs/dbraw/zinc/78/30/98/898783098.db2.gz AOAGNLYABYYUFZ-LBPRGKRZSA-N 2 2 284.404 -0.265 20 0 CBADLP CC(C)N(CC[NH+](C)CC(N)=O)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001379996550 898783108 /nfs/dbraw/zinc/78/31/08/898783108.db2.gz AOAGNLYABYYUFZ-LBPRGKRZSA-N 2 2 284.404 -0.265 20 0 CBADLP CC(C)N(CC[NH+](C)CC(N)=O)C(=O)[C@@H]1CCC[N@H+]1C ZINC001379996550 898783115 /nfs/dbraw/zinc/78/31/15/898783115.db2.gz AOAGNLYABYYUFZ-LBPRGKRZSA-N 2 2 284.404 -0.265 20 0 CBADLP CN1CC[C@H]([N@@H+]2CC[C@@H]2CNC(=O)CC[NH+](C)C)C1=O ZINC001380013082 898788081 /nfs/dbraw/zinc/78/80/81/898788081.db2.gz LUSOTMBFCLFHCY-NEPJUHHUSA-N 2 2 282.388 -0.641 20 0 CBADLP CN1CC[C@H]([N@H+]2CC[C@@H]2CNC(=O)CC[NH+](C)C)C1=O ZINC001380013082 898788086 /nfs/dbraw/zinc/78/80/86/898788086.db2.gz LUSOTMBFCLFHCY-NEPJUHHUSA-N 2 2 282.388 -0.641 20 0 CBADLP COC[C@@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001380036970 898790312 /nfs/dbraw/zinc/79/03/12/898790312.db2.gz RZSVTJAXEFQVRK-OLZOCXBDSA-N 2 2 285.388 -0.720 20 0 CBADLP COC[C@@H](O)C[N@H+]1CC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001380036970 898790321 /nfs/dbraw/zinc/79/03/21/898790321.db2.gz RZSVTJAXEFQVRK-OLZOCXBDSA-N 2 2 285.388 -0.720 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001380020435 898790444 /nfs/dbraw/zinc/79/04/44/898790444.db2.gz VAARYWAAGWSYMW-WDEREUQCSA-N 2 2 270.377 -0.608 20 0 CBADLP CC[C@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001380020435 898790451 /nfs/dbraw/zinc/79/04/51/898790451.db2.gz VAARYWAAGWSYMW-WDEREUQCSA-N 2 2 270.377 -0.608 20 0 CBADLP C[C@H](CC(=O)N1CCC[C@H]1C[NH2+]CC(N)=O)n1cc[nH+]c1 ZINC001380280981 898847409 /nfs/dbraw/zinc/84/74/09/898847409.db2.gz DFLKZULXCICPIJ-NEPJUHHUSA-N 2 2 293.371 -0.100 20 0 CBADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@]1(O)CC[N@H+](CCO)C1 ZINC001380555292 898898819 /nfs/dbraw/zinc/89/88/19/898898819.db2.gz UBFDVWXBUXEPRC-SMDDNHRTSA-N 2 2 296.371 -0.866 20 0 CBADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@]1(O)CC[N@@H+](CCO)C1 ZINC001380555292 898898824 /nfs/dbraw/zinc/89/88/24/898898824.db2.gz UBFDVWXBUXEPRC-SMDDNHRTSA-N 2 2 296.371 -0.866 20 0 CBADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@]1(O)CC[N@H+](CCO)C1 ZINC001380555292 898898835 /nfs/dbraw/zinc/89/88/35/898898835.db2.gz UBFDVWXBUXEPRC-SMDDNHRTSA-N 2 2 296.371 -0.866 20 0 CBADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@]1(O)CC[N@@H+](CCO)C1 ZINC001380555292 898898847 /nfs/dbraw/zinc/89/88/47/898898847.db2.gz UBFDVWXBUXEPRC-SMDDNHRTSA-N 2 2 296.371 -0.866 20 0 CBADLP CC[NH+](CC)C[C@@H](F)C(=O)NCC1(O)C[NH+](CC)C1 ZINC001380600358 898919264 /nfs/dbraw/zinc/91/92/64/898919264.db2.gz RRZBDFDEQFMQMT-LLVKDONJSA-N 2 2 275.368 -0.151 20 0 CBADLP CO[C@@H](C)C[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001380919229 898969740 /nfs/dbraw/zinc/96/97/40/898969740.db2.gz SOFQNZHOWOPXGP-AAEUAGOBSA-N 2 2 296.371 -0.196 20 0 CBADLP C[C@@H](O)C[NH2+]C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CCO1 ZINC001380908631 898971013 /nfs/dbraw/zinc/97/10/13/898971013.db2.gz KOZNCKQBZVMRDR-YPMHNXCESA-N 2 2 296.371 -0.460 20 0 CBADLP C[C@@H](O)C[NH2+]C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CCO1 ZINC001380908631 898971015 /nfs/dbraw/zinc/97/10/15/898971015.db2.gz KOZNCKQBZVMRDR-YPMHNXCESA-N 2 2 296.371 -0.460 20 0 CBADLP CC[C@@H](C(=O)NC1(CCO)C[NH+](C[C@H](C)O)C1)[NH+](C)C ZINC001381752782 899108441 /nfs/dbraw/zinc/10/84/41/899108441.db2.gz UGHFENFMOWKDEP-RYUDHWBXSA-N 2 2 287.404 -0.740 20 0 CBADLP CC(C)[C@@H](CCN(C)C(=O)Cc1[nH]cc[nH+]1)[NH2+]CC(N)=O ZINC001381716066 899108654 /nfs/dbraw/zinc/10/86/54/899108654.db2.gz LROMFBMORDPOEW-LLVKDONJSA-N 2 2 295.387 -0.100 20 0 CBADLP CC[C@H](C(=O)N[C@H](C)C1C[NH+](CC(=O)NC)C1)[NH+](C)C ZINC001381801936 899116186 /nfs/dbraw/zinc/11/61/86/899116186.db2.gz BBKVIGVWCONTEQ-ZYHUDNBSSA-N 2 2 284.404 -0.491 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC001381943824 899131603 /nfs/dbraw/zinc/13/16/03/899131603.db2.gz XTCUBVZNXIVGND-ZSOGYDGISA-N 2 2 292.383 -0.361 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC001381943824 899131608 /nfs/dbraw/zinc/13/16/08/899131608.db2.gz XTCUBVZNXIVGND-ZSOGYDGISA-N 2 2 292.383 -0.361 20 0 CBADLP CC[C@H]([NH2+][C@@H](C)CN(C)C(=O)Cc1c[nH+]cn1C)C(N)=O ZINC001382148141 899168190 /nfs/dbraw/zinc/16/81/90/899168190.db2.gz FNZMXTQGOWUKTM-JQWIXIFHSA-N 2 2 295.387 -0.337 20 0 CBADLP Cn1ccnc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001382183804 899181436 /nfs/dbraw/zinc/18/14/36/899181436.db2.gz MQDJALBFPOJQHO-RYUDHWBXSA-N 2 2 295.387 -0.919 20 0 CBADLP Cn1ccnc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001382183804 899181443 /nfs/dbraw/zinc/18/14/43/899181443.db2.gz MQDJALBFPOJQHO-RYUDHWBXSA-N 2 2 295.387 -0.919 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]Cc1cnns1 ZINC001382185613 899181709 /nfs/dbraw/zinc/18/17/09/899181709.db2.gz QGEDBHPHUZJCSV-KOLCDFICSA-N 2 2 299.400 -0.801 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]Cc1cnns1 ZINC001382185613 899181717 /nfs/dbraw/zinc/18/17/17/899181717.db2.gz QGEDBHPHUZJCSV-KOLCDFICSA-N 2 2 299.400 -0.801 20 0 CBADLP C[NH+](C)CCC(=O)NC[C@@H](CO)[NH2+]Cc1nccs1 ZINC001382234426 899200803 /nfs/dbraw/zinc/20/08/03/899200803.db2.gz KAIHGXPRCRCSGD-JTQLQIEISA-N 2 2 286.401 -0.339 20 0 CBADLP C[C@H](O)C[NH2+][C@@H](CO)CNC(=O)c1cccc2[nH+]ccn21 ZINC001382228388 899202394 /nfs/dbraw/zinc/20/23/94/899202394.db2.gz WZEPWQGMXMNTMH-WDEREUQCSA-N 2 2 292.339 -0.605 20 0 CBADLP CC[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc1ccn(C)n1)[NH+](C)C ZINC001382237965 899202630 /nfs/dbraw/zinc/20/26/30/899202630.db2.gz FAQOWRDZIKDQNQ-OLZOCXBDSA-N 2 2 297.403 -0.673 20 0 CBADLP Cc1conc1C[NH2+][C@@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001382272242 899225925 /nfs/dbraw/zinc/22/59/25/899225925.db2.gz JHXPNCLABCNPAQ-GFCCVEGCSA-N 2 2 296.371 -0.354 20 0 CBADLP C[C@H]1C[C@@H]([NH2+]CC(N)=O)CN1C(=O)CCCn1cc[nH+]c1 ZINC001382305278 899243119 /nfs/dbraw/zinc/24/31/19/899243119.db2.gz BYYHIGOWCOLZOS-NWDGAFQWSA-N 2 2 293.371 -0.272 20 0 CBADLP CCNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)Cn2cc[nH+]c2)C1 ZINC001382320115 899247762 /nfs/dbraw/zinc/24/77/62/899247762.db2.gz YEKOXSLVXWOYBA-NEPJUHHUSA-N 2 2 293.371 -0.402 20 0 CBADLP CCC[N@H+](C)CC(=O)N(C)CCNC(=O)Cn1cc[nH+]c1 ZINC001455316105 914332423 /nfs/dbraw/zinc/33/24/23/914332423.db2.gz PEPWWKJVBAUQOL-UHFFFAOYSA-N 2 2 295.387 -0.201 20 0 CBADLP CCC[N@@H+](C)CC(=O)N(C)CCNC(=O)Cn1cc[nH+]c1 ZINC001455316105 914332435 /nfs/dbraw/zinc/33/24/35/914332435.db2.gz PEPWWKJVBAUQOL-UHFFFAOYSA-N 2 2 295.387 -0.201 20 0 CBADLP C[C@H](O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001382476194 899313823 /nfs/dbraw/zinc/31/38/23/899313823.db2.gz VLGBDYRKTHJDTI-WDEREUQCSA-N 2 2 284.360 -0.916 20 0 CBADLP C[C@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001382476194 899313837 /nfs/dbraw/zinc/31/38/37/899313837.db2.gz VLGBDYRKTHJDTI-WDEREUQCSA-N 2 2 284.360 -0.916 20 0 CBADLP CC[C@@H](C(=O)N[C@H](C)CNC(=O)Cn1cc[nH+]c1)[NH+](C)C ZINC001386335203 899651361 /nfs/dbraw/zinc/65/13/61/899651361.db2.gz HCIZRCCFUUWEDX-NEPJUHHUSA-N 2 2 295.387 -0.156 20 0 CBADLP CC[C@H](C(=O)NC[C@H](C)NC(=O)Cc1[nH]cc[nH+]1)[NH+](C)C ZINC001386397003 899656515 /nfs/dbraw/zinc/65/65/15/899656515.db2.gz NRWJDZZAKARKEQ-WDEREUQCSA-N 2 2 295.387 -0.087 20 0 CBADLP CN(CCNC(=O)Cc1[nH]cc[nH+]1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001387064554 899755720 /nfs/dbraw/zinc/75/57/20/899755720.db2.gz CTKNYSFWMUFGMC-LLVKDONJSA-N 2 2 293.371 -0.379 20 0 CBADLP CN(CCNC(=O)Cc1[nH]cc[nH+]1)C(=O)[C@H]1CCC[N@H+]1C ZINC001387064554 899755727 /nfs/dbraw/zinc/75/57/27/899755727.db2.gz CTKNYSFWMUFGMC-LLVKDONJSA-N 2 2 293.371 -0.379 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)CNC(=O)CC[NH+](C)C ZINC001387099815 899761871 /nfs/dbraw/zinc/76/18/71/899761871.db2.gz BBLQBLWHAZZJEG-JTQLQIEISA-N 2 2 295.387 -0.167 20 0 CBADLP CC(=O)N(C)CC[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001387588844 899792536 /nfs/dbraw/zinc/79/25/36/899792536.db2.gz CIOHEFNRTRGNRE-CQSZACIVSA-N 2 2 296.415 -0.439 20 0 CBADLP CC(=O)N(C)CC[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001387588844 899792546 /nfs/dbraw/zinc/79/25/46/899792546.db2.gz CIOHEFNRTRGNRE-CQSZACIVSA-N 2 2 296.415 -0.439 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)NC[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001388681930 899901599 /nfs/dbraw/zinc/90/15/99/899901599.db2.gz CECBCGWIBHQVGB-PHIMTYICSA-N 2 2 293.371 -0.678 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)NC[C@H]1C[C@@H]([NH2+]CCO)C1 ZINC001388699564 899901720 /nfs/dbraw/zinc/90/17/20/899901720.db2.gz KMLBUVHZWCUOKJ-TXEJJXNPSA-N 2 2 280.372 -0.171 20 0 CBADLP COC[C@H](O)C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H]1C ZINC001388829757 899913868 /nfs/dbraw/zinc/91/38/68/899913868.db2.gz YTPKFFNWRBGQEK-UPJWGTAASA-N 2 2 296.371 -0.531 20 0 CBADLP COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H]1C ZINC001388829757 899913872 /nfs/dbraw/zinc/91/38/72/899913872.db2.gz YTPKFFNWRBGQEK-UPJWGTAASA-N 2 2 296.371 -0.531 20 0 CBADLP CC[NH+]1CCN(CCNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001389429106 900011320 /nfs/dbraw/zinc/01/13/20/900011320.db2.gz OPDBVQFKVOQGFO-UHFFFAOYSA-N 2 2 279.388 -0.284 20 0 CBADLP CC[C@@H]([NH2+][C@@H](CNC(=O)Cn1cc[nH+]c1)C1CC1)C(N)=O ZINC001389696244 900058953 /nfs/dbraw/zinc/05/89/53/900058953.db2.gz RSZQBZTVQLOLSK-NEPJUHHUSA-N 2 2 293.371 -0.369 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001389757509 900064315 /nfs/dbraw/zinc/06/43/15/900064315.db2.gz IPVNTQFBRLDQJF-UPJWGTAASA-N 2 2 296.415 -0.252 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001389757509 900064324 /nfs/dbraw/zinc/06/43/24/900064324.db2.gz IPVNTQFBRLDQJF-UPJWGTAASA-N 2 2 296.415 -0.252 20 0 CBADLP COC[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001389916982 900092043 /nfs/dbraw/zinc/09/20/43/900092043.db2.gz PXINGJGIMHZRCT-IJLUTSLNSA-N 2 2 296.371 -0.495 20 0 CBADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]Cc1ccnn1C ZINC001390516429 900180628 /nfs/dbraw/zinc/18/06/28/900180628.db2.gz XXTCTLIEDHJHQO-LLVKDONJSA-N 2 2 290.371 -0.009 20 0 CBADLP CC(C)N(C)C(=O)C[NH2+][C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001390538922 900183530 /nfs/dbraw/zinc/18/35/30/900183530.db2.gz BQGQUOHRVPGKPW-LBPRGKRZSA-N 2 2 295.387 -0.156 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)[NH2+][C@@H]1CCNC1=O ZINC001390523983 900184468 /nfs/dbraw/zinc/18/44/68/900184468.db2.gz NEWBPKSGLCTNGO-PSASIEDQSA-N 2 2 279.344 -0.757 20 0 CBADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+][C@H]1CCCN(C)C1=O ZINC001390542325 900187047 /nfs/dbraw/zinc/18/70/47/900187047.db2.gz KCONJDQPZGBCMM-NEPJUHHUSA-N 2 2 293.371 -0.402 20 0 CBADLP CC(C)CNC(=O)C[NH2+][C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001390548165 900187849 /nfs/dbraw/zinc/18/78/49/900187849.db2.gz YPPJXRXTGBUITR-GFCCVEGCSA-N 2 2 295.387 -0.250 20 0 CBADLP C[C@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+][C@@H]1CCCNC1=O ZINC001390724922 900214061 /nfs/dbraw/zinc/21/40/61/900214061.db2.gz AERAODVVROXOHL-VXGBXAGGSA-N 2 2 293.371 -0.354 20 0 CBADLP CCNC(=O)C[N@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001390743424 900225535 /nfs/dbraw/zinc/22/55/35/900225535.db2.gz VFGKDXUCRVZLPA-LLVKDONJSA-N 2 2 270.377 -0.735 20 0 CBADLP CCNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001390743424 900225540 /nfs/dbraw/zinc/22/55/40/900225540.db2.gz VFGKDXUCRVZLPA-LLVKDONJSA-N 2 2 270.377 -0.735 20 0 CBADLP CCNC(=O)C[NH+](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001390743424 900225553 /nfs/dbraw/zinc/22/55/53/900225553.db2.gz VFGKDXUCRVZLPA-LLVKDONJSA-N 2 2 270.377 -0.735 20 0 CBADLP CCNC(=O)C[NH+](C)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001390743424 900225566 /nfs/dbraw/zinc/22/55/66/900225566.db2.gz VFGKDXUCRVZLPA-LLVKDONJSA-N 2 2 270.377 -0.735 20 0 CBADLP C[C@H]1C[C@@H](C(=O)NCC[NH+](C)CC(N)=O)CC[N@@H+]1C ZINC001390812640 900257917 /nfs/dbraw/zinc/25/79/17/900257917.db2.gz JAZJKTJURVXLPA-QWRGUYRKSA-N 2 2 270.377 -0.750 20 0 CBADLP C[C@H]1C[C@@H](C(=O)NCC[NH+](C)CC(N)=O)CC[N@H+]1C ZINC001390812640 900257928 /nfs/dbraw/zinc/25/79/28/900257928.db2.gz JAZJKTJURVXLPA-QWRGUYRKSA-N 2 2 270.377 -0.750 20 0 CBADLP C[C@H]1C[C@@H](C(=O)NCC[N@H+](C)CC(N)=O)CC[NH+]1C ZINC001390812640 900257941 /nfs/dbraw/zinc/25/79/41/900257941.db2.gz JAZJKTJURVXLPA-QWRGUYRKSA-N 2 2 270.377 -0.750 20 0 CBADLP C[C@H]1C[C@@H](C(=O)NCC[N@@H+](C)CC(N)=O)CC[NH+]1C ZINC001390812640 900257952 /nfs/dbraw/zinc/25/79/52/900257952.db2.gz JAZJKTJURVXLPA-QWRGUYRKSA-N 2 2 270.377 -0.750 20 0 CBADLP CC(C)[NH+]1CCC(C(=O)NCC[N@H+](C)CC(N)=O)CC1 ZINC001390837644 900263850 /nfs/dbraw/zinc/26/38/50/900263850.db2.gz MDDOCAWJKUBEBY-UHFFFAOYSA-N 2 2 284.404 -0.360 20 0 CBADLP CC(C)[NH+]1CCC(C(=O)NCC[N@@H+](C)CC(N)=O)CC1 ZINC001390837644 900263863 /nfs/dbraw/zinc/26/38/63/900263863.db2.gz MDDOCAWJKUBEBY-UHFFFAOYSA-N 2 2 284.404 -0.360 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001390833702 900263885 /nfs/dbraw/zinc/26/38/85/900263885.db2.gz AUXIPJQDFGVNOX-CYBMUJFWSA-N 2 2 298.431 -0.099 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001390833702 900263890 /nfs/dbraw/zinc/26/38/90/900263890.db2.gz AUXIPJQDFGVNOX-CYBMUJFWSA-N 2 2 298.431 -0.099 20 0 CBADLP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCC[N@H+](C)CC(N)=O)C1 ZINC001390843396 900268020 /nfs/dbraw/zinc/26/80/20/900268020.db2.gz GMNCPKLQGHQVCF-RYUDHWBXSA-N 2 2 284.404 -0.360 20 0 CBADLP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCC[N@@H+](C)CC(N)=O)C1 ZINC001390843396 900268031 /nfs/dbraw/zinc/26/80/31/900268031.db2.gz GMNCPKLQGHQVCF-RYUDHWBXSA-N 2 2 284.404 -0.360 20 0 CBADLP CC(C)[C@@H](C(=O)NCC[N@H+](C)CC(N)=O)[NH+]1CCCC1 ZINC001390865389 900273632 /nfs/dbraw/zinc/27/36/32/900273632.db2.gz QTYCMZQKPWHELD-ZDUSSCGKSA-N 2 2 284.404 -0.360 20 0 CBADLP CC(C)[C@@H](C(=O)NCC[N@@H+](C)CC(N)=O)[NH+]1CCCC1 ZINC001390865389 900273645 /nfs/dbraw/zinc/27/36/45/900273645.db2.gz QTYCMZQKPWHELD-ZDUSSCGKSA-N 2 2 284.404 -0.360 20 0 CBADLP CC[N@H+](CCNC(=O)Cc1[nH]cc[nH+]1)CCn1cncn1 ZINC001390998345 900288982 /nfs/dbraw/zinc/28/89/82/900288982.db2.gz KVLJIUQZHJZDNA-UHFFFAOYSA-N 2 2 291.359 -0.318 20 0 CBADLP CC[N@@H+](CCNC(=O)Cc1[nH]cc[nH+]1)CCn1cncn1 ZINC001390998345 900288994 /nfs/dbraw/zinc/28/89/94/900288994.db2.gz KVLJIUQZHJZDNA-UHFFFAOYSA-N 2 2 291.359 -0.318 20 0 CBADLP CC[N@H+](CCNC(=O)Cn1cc[nH+]c1C)[C@@H](C)C(N)=O ZINC001391022790 900295646 /nfs/dbraw/zinc/29/56/46/900295646.db2.gz MFUJEIQDXQMXTJ-JTQLQIEISA-N 2 2 281.360 -0.497 20 0 CBADLP CC[N@@H+](CCNC(=O)Cn1cc[nH+]c1C)[C@@H](C)C(N)=O ZINC001391022790 900295659 /nfs/dbraw/zinc/29/56/59/900295659.db2.gz MFUJEIQDXQMXTJ-JTQLQIEISA-N 2 2 281.360 -0.497 20 0 CBADLP Cn1nnnc1C[N@@H+]1CC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001391090734 900309290 /nfs/dbraw/zinc/30/92/90/900309290.db2.gz AJIVOFPQUPMINI-NSHDSACASA-N 2 2 295.391 -0.900 20 0 CBADLP Cn1nnnc1C[N@H+]1CC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001391090734 900309301 /nfs/dbraw/zinc/30/93/01/900309301.db2.gz AJIVOFPQUPMINI-NSHDSACASA-N 2 2 295.391 -0.900 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001391109699 900315778 /nfs/dbraw/zinc/31/57/78/900315778.db2.gz NDUDTRQEQNXAQL-MNOVXSKESA-N 2 2 293.371 -0.475 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001391109699 900315788 /nfs/dbraw/zinc/31/57/88/900315788.db2.gz NDUDTRQEQNXAQL-MNOVXSKESA-N 2 2 293.371 -0.475 20 0 CBADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CC[NH2+][C@@H](C)C(N)=O ZINC001391211244 900337505 /nfs/dbraw/zinc/33/75/05/900337505.db2.gz HFLXOYWXKPBZJF-UWVGGRQHSA-N 2 2 281.360 -0.490 20 0 CBADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CC[NH2+][C@@H](C)C(N)=O ZINC001391211244 900337519 /nfs/dbraw/zinc/33/75/19/900337519.db2.gz HFLXOYWXKPBZJF-UWVGGRQHSA-N 2 2 281.360 -0.490 20 0 CBADLP CN(CC[NH2+][C@H]1CCCN(C)C1=O)C(=O)Cn1cc[nH+]c1 ZINC001391226998 900348513 /nfs/dbraw/zinc/34/85/13/900348513.db2.gz PUZXWBOUFHVTCK-LBPRGKRZSA-N 2 2 293.371 -0.448 20 0 CBADLP CC[NH+](CC)C[C@H](F)C(=O)NC1C[NH+](C[C@H](C)O)C1 ZINC001391429359 900377403 /nfs/dbraw/zinc/37/74/03/900377403.db2.gz KOPMXGFIIMNIRD-JQWIXIFHSA-N 2 2 275.368 -0.153 20 0 CBADLP CO[C@@H](C)C[NH+]1CC(NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001391454252 900383660 /nfs/dbraw/zinc/38/36/60/900383660.db2.gz ZIWQFWKTGWGKKU-LBPRGKRZSA-N 2 2 299.415 -0.068 20 0 CBADLP CC(C)[C@@H](C(=O)NCC1C[NH+]([C@@H]2CCNC2=O)C1)[NH+](C)C ZINC001391488593 900395772 /nfs/dbraw/zinc/39/57/72/900395772.db2.gz RIBVEWIDTTXLMN-OLZOCXBDSA-N 2 2 296.415 -0.491 20 0 CBADLP C[C@@H](O)C[NH+]1CC(CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001391522002 900400654 /nfs/dbraw/zinc/40/06/54/900400654.db2.gz NDACYOXGERBUMF-LLVKDONJSA-N 2 2 280.372 -0.219 20 0 CBADLP CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001391578649 900414752 /nfs/dbraw/zinc/41/47/52/900414752.db2.gz QSODDOBULCUDGX-CHWSQXEVSA-N 2 2 296.415 -0.203 20 0 CBADLP CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001391578649 900414760 /nfs/dbraw/zinc/41/47/60/900414760.db2.gz QSODDOBULCUDGX-CHWSQXEVSA-N 2 2 296.415 -0.203 20 0 CBADLP CCNC(=O)C[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001391578649 900414768 /nfs/dbraw/zinc/41/47/68/900414768.db2.gz QSODDOBULCUDGX-CHWSQXEVSA-N 2 2 296.415 -0.203 20 0 CBADLP CCNC(=O)C[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001391578649 900414771 /nfs/dbraw/zinc/41/47/71/900414771.db2.gz QSODDOBULCUDGX-CHWSQXEVSA-N 2 2 296.415 -0.203 20 0 CBADLP CC[C@H](C(=O)N(C)[C@@H]1CC[N@H+](CC(=O)NC)C1)[NH+](C)C ZINC001391613000 900418154 /nfs/dbraw/zinc/41/81/54/900418154.db2.gz HDPPZSCYFURDLJ-VXGBXAGGSA-N 2 2 284.404 -0.395 20 0 CBADLP CC[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](CC(=O)NC)C1)[NH+](C)C ZINC001391613000 900418162 /nfs/dbraw/zinc/41/81/62/900418162.db2.gz HDPPZSCYFURDLJ-VXGBXAGGSA-N 2 2 284.404 -0.395 20 0 CBADLP COC[C@H](O)C[NH2+]C[C@H](C)N(C)C(=O)Cn1cc[nH+]c1 ZINC001392139498 900521324 /nfs/dbraw/zinc/52/13/24/900521324.db2.gz HQGPSMJNHOUBDT-NWDGAFQWSA-N 2 2 284.360 -0.673 20 0 CBADLP CN(CC[N@H+](C)CC(N)=O)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001392299003 900556534 /nfs/dbraw/zinc/55/65/34/900556534.db2.gz CQRHICILVMJCER-UHFFFAOYSA-N 2 2 284.404 -0.264 20 0 CBADLP CN(CC[N@@H+](C)CC(N)=O)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001392299003 900556539 /nfs/dbraw/zinc/55/65/39/900556539.db2.gz CQRHICILVMJCER-UHFFFAOYSA-N 2 2 284.404 -0.264 20 0 CBADLP O=C(NC[C@@H](O)C[NH2+]CC1CC1)[C@H]1CCn2c[nH+]cc2C1 ZINC001392383921 900595967 /nfs/dbraw/zinc/59/59/67/900595967.db2.gz UEWCIAWJWMCNHF-JSGCOSHPSA-N 2 2 292.383 -0.078 20 0 CBADLP CO[C@H](C)C[NH2+]C[C@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001392405759 900606633 /nfs/dbraw/zinc/60/66/33/900606633.db2.gz LNXAPLABDMFTDB-KOLCDFICSA-N 2 2 270.333 -0.946 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H](O)C[NH2+]C[C@@H]1CCCOC1 ZINC001392410677 900609352 /nfs/dbraw/zinc/60/93/52/900609352.db2.gz OPJBMVCRXPPOFK-RYUDHWBXSA-N 2 2 296.371 -0.555 20 0 CBADLP CC[C@H]([NH2+]C[C@@H](C)NC(=O)CCc1c[nH+]cn1C)C(N)=O ZINC001392531223 900648534 /nfs/dbraw/zinc/64/85/34/900648534.db2.gz LLXQIZGFXZFZCC-PWSUYJOCSA-N 2 2 295.387 -0.289 20 0 CBADLP CCn1nncc1C[NH2+]C[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001392601619 900674617 /nfs/dbraw/zinc/67/46/17/900674617.db2.gz CJGWOGMPJFETDI-JTQLQIEISA-N 2 2 291.359 -0.142 20 0 CBADLP C[C@H](C[N@H+](C)[C@H](C)C(N)=O)NC(=O)CCc1c[nH+]cn1C ZINC001392715343 900710352 /nfs/dbraw/zinc/71/03/52/900710352.db2.gz HKIKNWVZINNEEQ-GHMZBOCLSA-N 2 2 295.387 -0.337 20 0 CBADLP C[C@H](C[N@@H+](C)[C@H](C)C(N)=O)NC(=O)CCc1c[nH+]cn1C ZINC001392715343 900710362 /nfs/dbraw/zinc/71/03/62/900710362.db2.gz HKIKNWVZINNEEQ-GHMZBOCLSA-N 2 2 295.387 -0.337 20 0 CBADLP C[C@@H]([NH2+]C[C@@H](NC(=O)CCn1cc[nH+]c1)C1CC1)C(N)=O ZINC001392787545 900723970 /nfs/dbraw/zinc/72/39/70/900723970.db2.gz XUWYNRQPIHWGJH-ZYHUDNBSSA-N 2 2 293.371 -0.369 20 0 CBADLP CCN(C)C(=O)C[N@@H+]1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001392852929 900739870 /nfs/dbraw/zinc/73/98/70/900739870.db2.gz JYDZBPXMTCXROD-LBPRGKRZSA-N 2 2 284.404 -0.393 20 0 CBADLP CCN(C)C(=O)C[N@H+]1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001392852929 900739885 /nfs/dbraw/zinc/73/98/85/900739885.db2.gz JYDZBPXMTCXROD-LBPRGKRZSA-N 2 2 284.404 -0.393 20 0 CBADLP CCC[NH+](C)CC(=O)NC[C@H]1CC[N@@H+]1[C@H]1CCNC1=O ZINC001392873126 900747083 /nfs/dbraw/zinc/74/70/83/900747083.db2.gz QBBJEALSAWWYLQ-NEPJUHHUSA-N 2 2 282.388 -0.593 20 0 CBADLP CCC[NH+](C)CC(=O)NC[C@H]1CC[N@H+]1[C@H]1CCNC1=O ZINC001392873126 900747092 /nfs/dbraw/zinc/74/70/92/900747092.db2.gz QBBJEALSAWWYLQ-NEPJUHHUSA-N 2 2 282.388 -0.593 20 0 CBADLP CCC[N@H+](C)CC(=O)NC[C@H]1CC[NH+]1[C@H]1CCNC1=O ZINC001392873126 900747067 /nfs/dbraw/zinc/74/70/67/900747067.db2.gz QBBJEALSAWWYLQ-NEPJUHHUSA-N 2 2 282.388 -0.593 20 0 CBADLP CCC[N@@H+](C)CC(=O)NC[C@H]1CC[NH+]1[C@H]1CCNC1=O ZINC001392873126 900747074 /nfs/dbraw/zinc/74/70/74/900747074.db2.gz QBBJEALSAWWYLQ-NEPJUHHUSA-N 2 2 282.388 -0.593 20 0 CBADLP CCN(C)C(=O)C[N@@H+]1CC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001392875606 900748052 /nfs/dbraw/zinc/74/80/52/900748052.db2.gz LLDFGZKTSAXTFC-CYBMUJFWSA-N 2 2 298.431 -0.005 20 0 CBADLP CCN(C)C(=O)C[N@H+]1CC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001392875606 900748061 /nfs/dbraw/zinc/74/80/61/900748061.db2.gz LLDFGZKTSAXTFC-CYBMUJFWSA-N 2 2 298.431 -0.005 20 0 CBADLP CCN(C)C(=O)C[NH+]1CC[C@@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001392875606 900748066 /nfs/dbraw/zinc/74/80/66/900748066.db2.gz LLDFGZKTSAXTFC-CYBMUJFWSA-N 2 2 298.431 -0.005 20 0 CBADLP CCN(C)C(=O)C[NH+]1CC[C@@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001392875606 900748075 /nfs/dbraw/zinc/74/80/75/900748075.db2.gz LLDFGZKTSAXTFC-CYBMUJFWSA-N 2 2 298.431 -0.005 20 0 CBADLP COCC[N@@H+]1CC[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001392875305 900748335 /nfs/dbraw/zinc/74/83/35/900748335.db2.gz VWJVMYHWJXRFIM-ZDUSSCGKSA-N 2 2 285.388 -0.454 20 0 CBADLP COCC[N@H+]1CC[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001392875305 900748341 /nfs/dbraw/zinc/74/83/41/900748341.db2.gz VWJVMYHWJXRFIM-ZDUSSCGKSA-N 2 2 285.388 -0.454 20 0 CBADLP CC[N@H+](C)CCC(=O)NC[C@@H]1CC[NH+]1[C@H]1CCN(C)C1=O ZINC001392873812 900748418 /nfs/dbraw/zinc/74/84/18/900748418.db2.gz YOMAGYXDQTVSTA-STQMWFEESA-N 2 2 296.415 -0.251 20 0 CBADLP CC[N@@H+](C)CCC(=O)NC[C@@H]1CC[NH+]1[C@H]1CCN(C)C1=O ZINC001392873812 900748423 /nfs/dbraw/zinc/74/84/23/900748423.db2.gz YOMAGYXDQTVSTA-STQMWFEESA-N 2 2 296.415 -0.251 20 0 CBADLP CC[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+]1[C@H]1CCN(C)C1=O ZINC001392873812 900748435 /nfs/dbraw/zinc/74/84/35/900748435.db2.gz YOMAGYXDQTVSTA-STQMWFEESA-N 2 2 296.415 -0.251 20 0 CBADLP CC[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+]1[C@H]1CCN(C)C1=O ZINC001392873812 900748444 /nfs/dbraw/zinc/74/84/44/900748444.db2.gz YOMAGYXDQTVSTA-STQMWFEESA-N 2 2 296.415 -0.251 20 0 CBADLP C[C@@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001392874433 900748855 /nfs/dbraw/zinc/74/88/55/900748855.db2.gz IRLBKJAGCNQEBC-DGCLKSJQSA-N 2 2 280.372 -0.076 20 0 CBADLP C[C@@H](O)C[N@H+]1CC[C@@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001392874433 900748858 /nfs/dbraw/zinc/74/88/58/900748858.db2.gz IRLBKJAGCNQEBC-DGCLKSJQSA-N 2 2 280.372 -0.076 20 0 CBADLP CC[N@H+](C)CCC(=O)NC[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001392911265 900758259 /nfs/dbraw/zinc/75/82/59/900758259.db2.gz RGXIBTKNAWBAQD-LBPRGKRZSA-N 2 2 295.387 -0.154 20 0 CBADLP CC[N@@H+](C)CCC(=O)NC[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001392911265 900758263 /nfs/dbraw/zinc/75/82/63/900758263.db2.gz RGXIBTKNAWBAQD-LBPRGKRZSA-N 2 2 295.387 -0.154 20 0 CBADLP O=C(NCC1([NH2+]CCO)CC1)[C@H]1CCc2c[nH+]cn2C1 ZINC001392920449 900763564 /nfs/dbraw/zinc/76/35/64/900763564.db2.gz UOHYBSZFZVULMI-NSHDSACASA-N 2 2 278.356 -0.324 20 0 CBADLP Cn1cnnc1C[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001392957267 900768478 /nfs/dbraw/zinc/76/84/78/900768478.db2.gz SWPNBDXISUAFHN-NSHDSACASA-N 2 2 292.387 -0.495 20 0 CBADLP Cn1cnnc1C[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001392957267 900768489 /nfs/dbraw/zinc/76/84/89/900768489.db2.gz SWPNBDXISUAFHN-NSHDSACASA-N 2 2 292.387 -0.495 20 0 CBADLP CC[C@@H]([NH2+]C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1)C(N)=O ZINC001393059069 900787704 /nfs/dbraw/zinc/78/77/04/900787704.db2.gz YDNMVVKLBIUJDD-VXGBXAGGSA-N 2 2 293.371 -0.272 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001393122088 900797826 /nfs/dbraw/zinc/79/78/26/900797826.db2.gz LJIJJNYXCQIMCA-CQSZACIVSA-N 2 2 282.388 -0.591 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001393122088 900797836 /nfs/dbraw/zinc/79/78/36/900797836.db2.gz LJIJJNYXCQIMCA-CQSZACIVSA-N 2 2 282.388 -0.591 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@](C)(C[NH2+]CC(N)=O)C1 ZINC001393158561 900799760 /nfs/dbraw/zinc/79/97/60/900799760.db2.gz BQEJZZJBLQTICT-CQSZACIVSA-N 2 2 293.371 -0.426 20 0 CBADLP O=C(C[NH+]1CCCC1)NC[C@@]1(O)CC[N@H+](CCF)C1 ZINC001393275177 900822326 /nfs/dbraw/zinc/82/23/26/900822326.db2.gz JTSPRFVXESHBLZ-ZDUSSCGKSA-N 2 2 273.352 -0.395 20 0 CBADLP O=C(C[NH+]1CCCC1)NC[C@@]1(O)CC[N@@H+](CCF)C1 ZINC001393275177 900822335 /nfs/dbraw/zinc/82/23/35/900822335.db2.gz JTSPRFVXESHBLZ-ZDUSSCGKSA-N 2 2 273.352 -0.395 20 0 CBADLP CC[C@@H](C[NH+]1CC(O)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1)OC ZINC001393304394 900835004 /nfs/dbraw/zinc/83/50/04/900835004.db2.gz PEVMGOSYBRGAQV-STQMWFEESA-N 2 2 299.415 -0.332 20 0 CBADLP CC[C@@H](C[NH+]1CC(O)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1)OC ZINC001393304394 900835011 /nfs/dbraw/zinc/83/50/11/900835011.db2.gz PEVMGOSYBRGAQV-STQMWFEESA-N 2 2 299.415 -0.332 20 0 CBADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CC([NH2+]C3COC3)C1)CC2 ZINC001456520019 914484548 /nfs/dbraw/zinc/48/45/48/914484548.db2.gz PMXLJGVDMWTMIW-NSHDSACASA-N 2 2 290.367 -0.047 20 0 CBADLP COC[C@@H](O)C[NH2+]C1(CNC(=O)Cn2cc[nH+]c2)CCC1 ZINC001393570859 900875531 /nfs/dbraw/zinc/87/55/31/900875531.db2.gz PQRPOLRCZYXSMB-LBPRGKRZSA-N 2 2 296.371 -0.481 20 0 CBADLP C[C@H](C(N)=O)[N@H+](C)CCCN(C)C(=O)Cc1c[nH+]cn1C ZINC001393644039 900886126 /nfs/dbraw/zinc/88/61/26/900886126.db2.gz LIICIJZYCXTPFG-LLVKDONJSA-N 2 2 295.387 -0.383 20 0 CBADLP C[C@H](C(N)=O)[N@@H+](C)CCCN(C)C(=O)Cc1c[nH+]cn1C ZINC001393644039 900886140 /nfs/dbraw/zinc/88/61/40/900886140.db2.gz LIICIJZYCXTPFG-LLVKDONJSA-N 2 2 295.387 -0.383 20 0 CBADLP C[C@@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1nnn(C)n1 ZINC001393798002 900909083 /nfs/dbraw/zinc/90/90/83/900909083.db2.gz PJUINVAKLHPPJB-QWRGUYRKSA-N 2 2 295.391 -0.711 20 0 CBADLP C[C@@H](CCNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1nnn(C)n1 ZINC001393798002 900909088 /nfs/dbraw/zinc/90/90/88/900909088.db2.gz PJUINVAKLHPPJB-QWRGUYRKSA-N 2 2 295.391 -0.711 20 0 CBADLP COCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001393871323 900918667 /nfs/dbraw/zinc/91/86/67/900918667.db2.gz LFVKWGYQFHQUOR-KBPBESRZSA-N 2 2 299.415 -0.114 20 0 CBADLP COCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001393871323 900918675 /nfs/dbraw/zinc/91/86/75/900918675.db2.gz LFVKWGYQFHQUOR-KBPBESRZSA-N 2 2 299.415 -0.114 20 0 CBADLP COCC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001393871323 900918683 /nfs/dbraw/zinc/91/86/83/900918683.db2.gz LFVKWGYQFHQUOR-KBPBESRZSA-N 2 2 299.415 -0.114 20 0 CBADLP C[C@H](CNC(=O)C[NH+]1CCC(C)CC1)[N@H+](C)CC(N)=O ZINC001394124724 900979631 /nfs/dbraw/zinc/97/96/31/900979631.db2.gz HABXHWXSLILJBQ-GFCCVEGCSA-N 2 2 284.404 -0.360 20 0 CBADLP C[C@H](CNC(=O)C[NH+]1CCC(C)CC1)[N@@H+](C)CC(N)=O ZINC001394124724 900979636 /nfs/dbraw/zinc/97/96/36/900979636.db2.gz HABXHWXSLILJBQ-GFCCVEGCSA-N 2 2 284.404 -0.360 20 0 CBADLP NC(=O)C[N@@H+]1CCCCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001394212939 900997519 /nfs/dbraw/zinc/99/75/19/900997519.db2.gz SEUQBYGAAUBGAM-LBPRGKRZSA-N 2 2 293.371 -0.271 20 0 CBADLP NC(=O)C[N@H+]1CCCCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001394212939 900997527 /nfs/dbraw/zinc/99/75/27/900997527.db2.gz SEUQBYGAAUBGAM-LBPRGKRZSA-N 2 2 293.371 -0.271 20 0 CBADLP CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001394247379 901004820 /nfs/dbraw/zinc/00/48/20/901004820.db2.gz RIXPUOQAIQMZLV-WCQYABFASA-N 2 2 296.415 -0.347 20 0 CBADLP CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001394247379 901004826 /nfs/dbraw/zinc/00/48/26/901004826.db2.gz RIXPUOQAIQMZLV-WCQYABFASA-N 2 2 296.415 -0.347 20 0 CBADLP CNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001394554167 901049836 /nfs/dbraw/zinc/04/98/36/901049836.db2.gz ZHLVEHIJXQQKSX-QWRGUYRKSA-N 2 2 295.387 -0.229 20 0 CBADLP CNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001394554167 901049841 /nfs/dbraw/zinc/04/98/41/901049841.db2.gz ZHLVEHIJXQQKSX-QWRGUYRKSA-N 2 2 295.387 -0.229 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H](CO)[NH2+]CC[C@H]1CCCO1 ZINC001394644547 901103269 /nfs/dbraw/zinc/10/32/69/901103269.db2.gz MWUUNCAPLDOMJM-NWDGAFQWSA-N 2 2 296.371 -0.412 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H](CO)[NH2+]CC[C@@H]1CCCO1 ZINC001394644541 901103574 /nfs/dbraw/zinc/10/35/74/901103574.db2.gz MWUUNCAPLDOMJM-NEPJUHHUSA-N 2 2 296.371 -0.412 20 0 CBADLP CCNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001394664172 901112202 /nfs/dbraw/zinc/11/22/02/901112202.db2.gz BEIHEFPZEBQSNT-ZYHUDNBSSA-N 2 2 293.371 -0.333 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001394720675 901122001 /nfs/dbraw/zinc/12/20/01/901122001.db2.gz WYUXYXDHKPHKPD-GHMZBOCLSA-N 2 2 293.371 -0.427 20 0 CBADLP C[C@@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)NC(=O)CC[NH+](C)C ZINC001395680769 901223041 /nfs/dbraw/zinc/22/30/41/901223041.db2.gz PXDAFZBPXIMFSO-NSHDSACASA-N 2 2 295.387 -0.133 20 0 CBADLP NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001397081299 901362151 /nfs/dbraw/zinc/36/21/51/901362151.db2.gz JVBYKLSLSBFKCE-PHIMTYICSA-N 2 2 279.344 -0.757 20 0 CBADLP CN(C[C@H]1CC[N@@H+]1[C@H]1CCNC1=O)C(=O)CCC[NH+](C)C ZINC001397551925 901430301 /nfs/dbraw/zinc/43/03/01/901430301.db2.gz YDXGRCAZXWEGMV-OLZOCXBDSA-N 2 2 296.415 -0.251 20 0 CBADLP CN(C[C@H]1CC[N@H+]1[C@H]1CCNC1=O)C(=O)CCC[NH+](C)C ZINC001397551925 901430308 /nfs/dbraw/zinc/43/03/08/901430308.db2.gz YDXGRCAZXWEGMV-OLZOCXBDSA-N 2 2 296.415 -0.251 20 0 CBADLP CC[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2cnnn2C)C1)[NH+](C)C ZINC001398305920 901521627 /nfs/dbraw/zinc/52/16/27/901521627.db2.gz DGJFDQHXFWASPY-DGCLKSJQSA-N 2 2 294.403 -0.154 20 0 CBADLP CC[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2cnnn2C)C1)[NH+](C)C ZINC001398305920 901521633 /nfs/dbraw/zinc/52/16/33/901521633.db2.gz DGJFDQHXFWASPY-DGCLKSJQSA-N 2 2 294.403 -0.154 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001398551727 901557906 /nfs/dbraw/zinc/55/79/06/901557906.db2.gz HBCPMDJHJAZXIL-OPRDCNLKSA-N 2 2 279.344 -0.677 20 0 CBADLP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)CCn2cc[nH+]c2)C1)C(N)=O ZINC001398628407 901578022 /nfs/dbraw/zinc/57/80/22/901578022.db2.gz QGVMXTFBXHOEQC-GARJFASQSA-N 2 2 279.344 -0.616 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N(C)C)C1 ZINC001398671942 901587767 /nfs/dbraw/zinc/58/77/67/901587767.db2.gz QOIUWIFYJKSCDE-PHIMTYICSA-N 2 2 293.371 -0.414 20 0 CBADLP C[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+]CC(=O)NC1CC1 ZINC001398938364 901639807 /nfs/dbraw/zinc/63/98/07/901639807.db2.gz HNGMPVOFHCSXTB-JTQLQIEISA-N 2 2 293.371 -0.285 20 0 CBADLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]Cc1ccn(C)n1 ZINC001399105634 901666275 /nfs/dbraw/zinc/66/62/75/901666275.db2.gz HVZMQCMIAJPLRY-NSHDSACASA-N 2 2 290.371 -0.009 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)[NH2+][C@H]1CCN(C)C1=O ZINC001399130869 901673960 /nfs/dbraw/zinc/67/39/60/901673960.db2.gz UQLOHUFQVJPTGU-ONGXEEELSA-N 2 2 293.371 -0.414 20 0 CBADLP C[C@@H](CNC(=O)CCc1c[nH+]cn1C)[NH2+][C@@H]1CCNC1=O ZINC001399136719 901674834 /nfs/dbraw/zinc/67/48/34/901674834.db2.gz VXLCVDZVDHEHDR-CMPLNLGQSA-N 2 2 293.371 -0.665 20 0 CBADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1cncn1C ZINC001399155950 901676439 /nfs/dbraw/zinc/67/64/39/901676439.db2.gz HQVPRWBARPRZSF-LLVKDONJSA-N 2 2 276.344 -0.089 20 0 CBADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CC(=O)N(C)C1CC1 ZINC001399159700 901678415 /nfs/dbraw/zinc/67/84/15/901678415.db2.gz KTKNFSGEEFUNHH-NSHDSACASA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@@H](CCNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@H]1CCCNC1=O ZINC001399394565 901707985 /nfs/dbraw/zinc/70/79/85/901707985.db2.gz HENVDRMOVRTZRN-QWRGUYRKSA-N 2 2 293.371 -0.285 20 0 CBADLP CNC(=O)C[NH2+][C@@H](C)CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001399418131 901711213 /nfs/dbraw/zinc/71/12/13/901711213.db2.gz MOZJLXNDZMHQCL-VIFPVBQESA-N 2 2 281.360 -0.509 20 0 CBADLP CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)Cc1c[nH+]cn1C ZINC001399411442 901711675 /nfs/dbraw/zinc/71/16/75/901711675.db2.gz CVNNUGSSYBFWSJ-NSHDSACASA-N 2 2 295.387 -0.417 20 0 CBADLP CC[N@H+](CCNC(=O)Cn1cc[nH+]c1C)[C@H](C)C(=O)NC ZINC001399823114 901811787 /nfs/dbraw/zinc/81/17/87/901811787.db2.gz KJOIWGXTQHOGJJ-LLVKDONJSA-N 2 2 295.387 -0.236 20 0 CBADLP CC[N@@H+](CCNC(=O)Cn1cc[nH+]c1C)[C@H](C)C(=O)NC ZINC001399823114 901811798 /nfs/dbraw/zinc/81/17/98/901811798.db2.gz KJOIWGXTQHOGJJ-LLVKDONJSA-N 2 2 295.387 -0.236 20 0 CBADLP CNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001399906164 901832539 /nfs/dbraw/zinc/83/25/39/901832539.db2.gz ZIXBARYYVDEBLQ-LBPRGKRZSA-N 2 2 293.371 -0.482 20 0 CBADLP CNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001399906164 901832548 /nfs/dbraw/zinc/83/25/48/901832548.db2.gz ZIXBARYYVDEBLQ-LBPRGKRZSA-N 2 2 293.371 -0.482 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001400307781 901912665 /nfs/dbraw/zinc/91/26/65/901912665.db2.gz LUCIAHXASZAWAV-JQWIXIFHSA-N 2 2 293.371 -0.333 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001400307781 901912670 /nfs/dbraw/zinc/91/26/70/901912670.db2.gz LUCIAHXASZAWAV-JQWIXIFHSA-N 2 2 293.371 -0.333 20 0 CBADLP C[NH+](C)CC1(C(=O)NCC2C[NH+]([C@@H]3CCNC3=O)C2)CC1 ZINC001400531485 901964797 /nfs/dbraw/zinc/96/47/97/901964797.db2.gz RQOOFBYWQWKYDE-GFCCVEGCSA-N 2 2 294.399 -0.735 20 0 CBADLP CCN(C)C(=O)C[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001400661368 901993134 /nfs/dbraw/zinc/99/31/34/901993134.db2.gz BNSLBOZOQOQLJN-CHWSQXEVSA-N 2 2 296.415 -0.251 20 0 CBADLP CCN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001400661368 901993103 /nfs/dbraw/zinc/99/31/03/901993103.db2.gz BNSLBOZOQOQLJN-CHWSQXEVSA-N 2 2 296.415 -0.251 20 0 CBADLP CCN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001400661368 901993113 /nfs/dbraw/zinc/99/31/13/901993113.db2.gz BNSLBOZOQOQLJN-CHWSQXEVSA-N 2 2 296.415 -0.251 20 0 CBADLP CCN(C)C(=O)C[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001400661368 901993124 /nfs/dbraw/zinc/99/31/24/901993124.db2.gz BNSLBOZOQOQLJN-CHWSQXEVSA-N 2 2 296.415 -0.251 20 0 CBADLP CCC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](CCO)CCO1 ZINC001401172802 902072517 /nfs/dbraw/zinc/07/25/17/902072517.db2.gz RSBQZUBBLATGMQ-CYBMUJFWSA-N 2 2 287.404 -0.472 20 0 CBADLP CCC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+](CCO)CCO1 ZINC001401172802 902072528 /nfs/dbraw/zinc/07/25/28/902072528.db2.gz RSBQZUBBLATGMQ-CYBMUJFWSA-N 2 2 287.404 -0.472 20 0 CBADLP CCC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001401172802 902072540 /nfs/dbraw/zinc/07/25/40/902072540.db2.gz RSBQZUBBLATGMQ-CYBMUJFWSA-N 2 2 287.404 -0.472 20 0 CBADLP CCC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001401172802 902072551 /nfs/dbraw/zinc/07/25/51/902072551.db2.gz RSBQZUBBLATGMQ-CYBMUJFWSA-N 2 2 287.404 -0.472 20 0 CBADLP CCC[N@H+](C)CCC(=O)NC[C@H]1C[NH+](CCO)CCO1 ZINC001401172803 902073707 /nfs/dbraw/zinc/07/37/07/902073707.db2.gz RSBQZUBBLATGMQ-ZDUSSCGKSA-N 2 2 287.404 -0.472 20 0 CBADLP CCC[N@@H+](C)CCC(=O)NC[C@H]1C[NH+](CCO)CCO1 ZINC001401172803 902073714 /nfs/dbraw/zinc/07/37/14/902073714.db2.gz RSBQZUBBLATGMQ-ZDUSSCGKSA-N 2 2 287.404 -0.472 20 0 CBADLP CCC[NH+](C)CCC(=O)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001401172803 902073720 /nfs/dbraw/zinc/07/37/20/902073720.db2.gz RSBQZUBBLATGMQ-ZDUSSCGKSA-N 2 2 287.404 -0.472 20 0 CBADLP CCC[NH+](C)CCC(=O)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001401172803 902073727 /nfs/dbraw/zinc/07/37/27/902073727.db2.gz RSBQZUBBLATGMQ-ZDUSSCGKSA-N 2 2 287.404 -0.472 20 0 CBADLP CC[C@@H]([NH2+]C[C@@H](C)N(C)C(=O)CCn1cc[nH+]c1)C(N)=O ZINC001401234681 902087726 /nfs/dbraw/zinc/08/77/26/902087726.db2.gz QRRGFVDDBJXULY-VXGBXAGGSA-N 2 2 295.387 -0.026 20 0 CBADLP CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)Cc1c[nH+]cn1C ZINC001401252459 902092305 /nfs/dbraw/zinc/09/23/05/902092305.db2.gz LHGZJYBWHVBUHC-LLVKDONJSA-N 2 2 295.387 -0.465 20 0 CBADLP CC(C)C[C@@H](C[NH2+]CC(N)=O)NC(=O)Cc1c[nH]c[nH+]1 ZINC001401279282 902100886 /nfs/dbraw/zinc/10/08/86/902100886.db2.gz IAYISGDWDMJXCK-NSHDSACASA-N 2 2 281.360 -0.442 20 0 CBADLP CC(C)[C@@H](CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[NH2+]CC(N)=O ZINC001401346321 902105033 /nfs/dbraw/zinc/10/50/33/902105033.db2.gz QENSAFPKTUWMSP-CMPLNLGQSA-N 2 2 295.387 -0.196 20 0 CBADLP CC(C)[C@@H](CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[NH2+]CC(N)=O ZINC001401346321 902105037 /nfs/dbraw/zinc/10/50/37/902105037.db2.gz QENSAFPKTUWMSP-CMPLNLGQSA-N 2 2 295.387 -0.196 20 0 CBADLP CC(C)[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1nnn(C)n1 ZINC001401331884 902106543 /nfs/dbraw/zinc/10/65/43/902106543.db2.gz DXRXWQVBCJXSQT-LLVKDONJSA-N 2 2 297.407 -0.608 20 0 CBADLP CN(CC[N@H+](C)Cc1cnnn1C)C(=O)[C@@H]1CCC[NH+]1C ZINC001401357652 902110736 /nfs/dbraw/zinc/11/07/36/902110736.db2.gz GLYQQLMEHDIPID-ZDUSSCGKSA-N 2 2 294.403 -0.201 20 0 CBADLP CN(CC[N@@H+](C)Cc1cnnn1C)C(=O)[C@@H]1CCC[NH+]1C ZINC001401357652 902110740 /nfs/dbraw/zinc/11/07/40/902110740.db2.gz GLYQQLMEHDIPID-ZDUSSCGKSA-N 2 2 294.403 -0.201 20 0 CBADLP CN(CC[NH+](C)Cc1cnnn1C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001401357652 902110746 /nfs/dbraw/zinc/11/07/46/902110746.db2.gz GLYQQLMEHDIPID-ZDUSSCGKSA-N 2 2 294.403 -0.201 20 0 CBADLP CN(CC[NH+](C)Cc1cnnn1C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001401357652 902110751 /nfs/dbraw/zinc/11/07/51/902110751.db2.gz GLYQQLMEHDIPID-ZDUSSCGKSA-N 2 2 294.403 -0.201 20 0 CBADLP CNC(=O)C[N@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001401437459 902123509 /nfs/dbraw/zinc/12/35/09/902123509.db2.gz LOXWLNMVJDTSFF-NSHDSACASA-N 2 2 270.377 -0.926 20 0 CBADLP CNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001401437459 902123516 /nfs/dbraw/zinc/12/35/16/902123516.db2.gz LOXWLNMVJDTSFF-NSHDSACASA-N 2 2 270.377 -0.926 20 0 CBADLP CNC(=O)C[NH+](C)CCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001401437459 902123523 /nfs/dbraw/zinc/12/35/23/902123523.db2.gz LOXWLNMVJDTSFF-NSHDSACASA-N 2 2 270.377 -0.926 20 0 CBADLP CNC(=O)C[NH+](C)CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001401437459 902123531 /nfs/dbraw/zinc/12/35/31/902123531.db2.gz LOXWLNMVJDTSFF-NSHDSACASA-N 2 2 270.377 -0.926 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N(C)CC[N@H+](C)[C@@H]1CCNC1=O ZINC001401443587 902128390 /nfs/dbraw/zinc/12/83/90/902128390.db2.gz ZJAWJZBTWAGGAM-GFCCVEGCSA-N 2 2 293.371 -0.530 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N(C)CC[N@@H+](C)[C@@H]1CCNC1=O ZINC001401443587 902128396 /nfs/dbraw/zinc/12/83/96/902128396.db2.gz ZJAWJZBTWAGGAM-GFCCVEGCSA-N 2 2 293.371 -0.530 20 0 CBADLP Cc1nc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CCC[N@H+]2C)co1 ZINC001401489757 902136062 /nfs/dbraw/zinc/13/60/62/902136062.db2.gz FQPSLUDGQSKIDO-STQMWFEESA-N 2 2 296.371 -0.356 20 0 CBADLP Cc1nc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CCC[N@@H+]2C)co1 ZINC001401489757 902136069 /nfs/dbraw/zinc/13/60/69/902136069.db2.gz FQPSLUDGQSKIDO-STQMWFEESA-N 2 2 296.371 -0.356 20 0 CBADLP Cc1cn(C(C)(C)C(=O)NC[C@H](O)C[NH2+]C[C@H](C)O)c[nH+]1 ZINC001401548718 902162570 /nfs/dbraw/zinc/16/25/70/902162570.db2.gz YWMFEUZJGDSGLA-NWDGAFQWSA-N 2 2 298.387 -0.626 20 0 CBADLP C[C@@H](C[NH2+]CC(N)=O)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001401693598 902234892 /nfs/dbraw/zinc/23/48/92/902234892.db2.gz LXROBKAIBWTEBQ-UWVGGRQHSA-N 2 2 279.344 -0.975 20 0 CBADLP C[C@@H](C[NH2+][C@H]1CCN(C)C1=O)NC(=O)Cc1c[nH]c[nH+]1 ZINC001401708715 902238107 /nfs/dbraw/zinc/23/81/07/902238107.db2.gz VFPGNNMJENLDNV-ONGXEEELSA-N 2 2 279.344 -0.723 20 0 CBADLP COC[C@@H](O)C[NH+]1CC(N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001402035960 902342219 /nfs/dbraw/zinc/34/22/19/902342219.db2.gz ZEHCGMHCYJJMDG-ZDUSSCGKSA-N 2 2 285.388 -0.768 20 0 CBADLP C[C@@H]([NH2+]C[C@@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1)C(N)=O ZINC001402058128 902346907 /nfs/dbraw/zinc/34/69/07/902346907.db2.gz OCZMOMHKYLFHPU-ZJUUUORDSA-N 2 2 279.344 -0.593 20 0 CBADLP COC[C@@H](O)C[NH2+]C[C@@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001402066834 902353386 /nfs/dbraw/zinc/35/33/86/902353386.db2.gz YLFYIOWORJRSSS-STQMWFEESA-N 2 2 296.371 -0.460 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C ZINC001402413485 902446109 /nfs/dbraw/zinc/44/61/09/902446109.db2.gz FSKLVKUBACYRBR-WDEREUQCSA-N 2 2 293.371 -0.618 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC001402412040 902446575 /nfs/dbraw/zinc/44/65/75/902446575.db2.gz OLVXSWAZPFUPEN-NWDGAFQWSA-N 2 2 293.371 -0.687 20 0 CBADLP CC(=O)NCC[NH+]1CCC([NH2+]CCN2CCNC2=O)CC1 ZINC001402438146 902452677 /nfs/dbraw/zinc/45/26/77/902452677.db2.gz ZFXKFHZGCSFFTP-UHFFFAOYSA-N 2 2 297.403 -0.798 20 0 CBADLP CC[N@H+](C)CCC(=O)N[C@H]1COC2(C[NH+](C[C@H](C)O)C2)C1 ZINC001402708976 902505234 /nfs/dbraw/zinc/50/52/34/902505234.db2.gz FGIOMRDVIUIZDF-QWHCGFSZSA-N 2 2 299.415 -0.332 20 0 CBADLP CC[N@@H+](C)CCC(=O)N[C@H]1COC2(C[NH+](C[C@H](C)O)C2)C1 ZINC001402708976 902505241 /nfs/dbraw/zinc/50/52/41/902505241.db2.gz FGIOMRDVIUIZDF-QWHCGFSZSA-N 2 2 299.415 -0.332 20 0 CBADLP CNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001402699233 902505392 /nfs/dbraw/zinc/50/53/92/902505392.db2.gz WJXFVZGSAPYQNZ-LBPRGKRZSA-N 2 2 293.371 -0.543 20 0 CBADLP CNC(=O)C[N@H+]1CCC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001402699233 902505399 /nfs/dbraw/zinc/50/53/99/902505399.db2.gz WJXFVZGSAPYQNZ-LBPRGKRZSA-N 2 2 293.371 -0.543 20 0 CBADLP CC[N@H+](C)CCC(=O)N[C@H]1COC2(C[NH+](C[C@@H](C)O)C2)C1 ZINC001402708972 902505769 /nfs/dbraw/zinc/50/57/69/902505769.db2.gz FGIOMRDVIUIZDF-CHWSQXEVSA-N 2 2 299.415 -0.332 20 0 CBADLP CC[N@@H+](C)CCC(=O)N[C@H]1COC2(C[NH+](C[C@@H](C)O)C2)C1 ZINC001402708972 902505771 /nfs/dbraw/zinc/50/57/71/902505771.db2.gz FGIOMRDVIUIZDF-CHWSQXEVSA-N 2 2 299.415 -0.332 20 0 CBADLP C[NH+](C)CC1(C(=O)NC[C@H]2CCCC[N@@H+]2CC(N)=O)CC1 ZINC001402738674 902511253 /nfs/dbraw/zinc/51/12/53/902511253.db2.gz BVGSCDTWWVNTIJ-GFCCVEGCSA-N 2 2 296.415 -0.216 20 0 CBADLP C[NH+](C)CC1(C(=O)NC[C@H]2CCCC[N@H+]2CC(N)=O)CC1 ZINC001402738674 902511257 /nfs/dbraw/zinc/51/12/57/902511257.db2.gz BVGSCDTWWVNTIJ-GFCCVEGCSA-N 2 2 296.415 -0.216 20 0 CBADLP C[C@@H](CCNC(=O)C[C@H](C)n1cc[nH+]c1)[NH2+]CC(N)=O ZINC001402853042 902540463 /nfs/dbraw/zinc/54/04/63/902540463.db2.gz OOXXEPWYLJKZPE-QWRGUYRKSA-N 2 2 281.360 -0.196 20 0 CBADLP Cc1ncoc1C[NH2+][C@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001402865704 902543163 /nfs/dbraw/zinc/54/31/63/902543163.db2.gz LHEPCRQLSXFFCY-ZWNOBZJWSA-N 2 2 296.371 -0.092 20 0 CBADLP Cc1ncoc1C[NH2+][C@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001402865704 902543174 /nfs/dbraw/zinc/54/31/74/902543174.db2.gz LHEPCRQLSXFFCY-ZWNOBZJWSA-N 2 2 296.371 -0.092 20 0 CBADLP C[C@@H](CNC(=O)Cc1cn2c([nH+]1)CCCC2)[NH2+]CC(N)=O ZINC001402886029 902553667 /nfs/dbraw/zinc/55/36/67/902553667.db2.gz HLQGYQKGAVGDAO-JTQLQIEISA-N 2 2 293.371 -0.659 20 0 CBADLP CCNC(=O)C[NH2+][C@@H](C)CNC(=O)CCc1[nH+]ccn1C ZINC001402961411 902574709 /nfs/dbraw/zinc/57/47/09/902574709.db2.gz RJEJGRHWRCBTKD-NSHDSACASA-N 2 2 295.387 -0.417 20 0 CBADLP C[C@H](CNC(=O)CCn1cc[nH+]c1)[NH2+][C@@H]1CCNC1=O ZINC001402989388 902584092 /nfs/dbraw/zinc/58/40/92/902584092.db2.gz VPXXLHNRFSRACR-GHMZBOCLSA-N 2 2 279.344 -0.744 20 0 CBADLP C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)[C@@H](C)[NH2+]CC(=O)N(C)C ZINC001403021591 902594937 /nfs/dbraw/zinc/59/49/37/902594937.db2.gz QSAQRQYWTHBOQS-GHMZBOCLSA-N 2 2 295.387 -0.087 20 0 CBADLP C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)[C@@H](C)[NH2+]CC(=O)N(C)C ZINC001403021591 902594942 /nfs/dbraw/zinc/59/49/42/902594942.db2.gz QSAQRQYWTHBOQS-GHMZBOCLSA-N 2 2 295.387 -0.087 20 0 CBADLP C[C@@H]([NH2+][C@@H](C)CNC(=O)Cc1c[nH]c[nH+]1)C(=O)N(C)C ZINC001403051573 902602271 /nfs/dbraw/zinc/60/22/71/902602271.db2.gz GORGATVHESDFRK-VHSXEESVSA-N 2 2 281.360 -0.477 20 0 CBADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]Cc1ccnn1C ZINC001403057869 902601434 /nfs/dbraw/zinc/60/14/34/902601434.db2.gz OVGRAMFYIXWXIB-JTQLQIEISA-N 2 2 276.344 -0.020 20 0 CBADLP CCN(C)C(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001403053101 902603206 /nfs/dbraw/zinc/60/32/06/902603206.db2.gz NQVRGWVRFONWFL-GHMZBOCLSA-N 2 2 295.387 -0.087 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+](C)[C@@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001403162430 902634490 /nfs/dbraw/zinc/63/44/90/902634490.db2.gz YMWWACZSTOQXHL-RYUDHWBXSA-N 2 2 295.387 -0.026 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+](C)[C@@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001403162430 902634493 /nfs/dbraw/zinc/63/44/93/902634493.db2.gz YMWWACZSTOQXHL-RYUDHWBXSA-N 2 2 295.387 -0.026 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)N1CC[C@H](C[NH2+]CC(N)=O)C1 ZINC001403240115 902659820 /nfs/dbraw/zinc/65/98/20/902659820.db2.gz KAMWSNDDCRIBGP-LLVKDONJSA-N 2 2 293.371 -0.724 20 0 CBADLP C[C@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1nnn(C)n1 ZINC001403350279 902675733 /nfs/dbraw/zinc/67/57/33/902675733.db2.gz PJUINVAKLHPPJB-MNOVXSKESA-N 2 2 295.391 -0.711 20 0 CBADLP C[C@H](CCNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1nnn(C)n1 ZINC001403350279 902675743 /nfs/dbraw/zinc/67/57/43/902675743.db2.gz PJUINVAKLHPPJB-MNOVXSKESA-N 2 2 295.391 -0.711 20 0 CBADLP C[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)C1)C(N)=O ZINC001403446333 902693350 /nfs/dbraw/zinc/69/33/50/902693350.db2.gz NIHLOFMNNZDYKP-IJLUTSLNSA-N 2 2 293.371 -0.369 20 0 CBADLP C[C@@H](CCNC(=O)CCc1c[nH+]cn1C)[NH2+][C@@H](C)C(N)=O ZINC001403474796 902695255 /nfs/dbraw/zinc/69/52/55/902695255.db2.gz SBYQMAZKFVQPLQ-QWRGUYRKSA-N 2 2 295.387 -0.289 20 0 CBADLP CN(C)C(=O)C[N@H+](C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001403567191 902733111 /nfs/dbraw/zinc/73/31/11/902733111.db2.gz OYNUFQYIJPTQOM-CYBMUJFWSA-N 2 2 296.415 -0.536 20 0 CBADLP CN(C)C(=O)C[N@@H+](C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001403567191 902733121 /nfs/dbraw/zinc/73/31/21/902733121.db2.gz OYNUFQYIJPTQOM-CYBMUJFWSA-N 2 2 296.415 -0.536 20 0 CBADLP C[C@H](CN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1)[NH2+]CCO ZINC001403585268 902743849 /nfs/dbraw/zinc/74/38/49/902743849.db2.gz YWCCFGDESITIBS-NEPJUHHUSA-N 2 2 280.372 -0.126 20 0 CBADLP C[N@H+](CCCO)CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001403618154 902750431 /nfs/dbraw/zinc/75/04/31/902750431.db2.gz QAMRMXJRPQFGGL-GFCCVEGCSA-N 2 2 280.372 -0.124 20 0 CBADLP C[N@@H+](CCCO)CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001403618154 902750440 /nfs/dbraw/zinc/75/04/40/902750440.db2.gz QAMRMXJRPQFGGL-GFCCVEGCSA-N 2 2 280.372 -0.124 20 0 CBADLP C[C@H](O)C[N@H+](C)CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001403612526 902752069 /nfs/dbraw/zinc/75/20/69/902752069.db2.gz KRXRBCVLQURNBJ-NWDGAFQWSA-N 2 2 280.372 -0.126 20 0 CBADLP C[C@H](O)C[N@@H+](C)CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001403612526 902752074 /nfs/dbraw/zinc/75/20/74/902752074.db2.gz KRXRBCVLQURNBJ-NWDGAFQWSA-N 2 2 280.372 -0.126 20 0 CBADLP C[C@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+][C@H]1CCNC1=O ZINC001403632183 902762581 /nfs/dbraw/zinc/76/25/81/902762581.db2.gz OUMMWBOTEDDPHE-MNOVXSKESA-N 2 2 279.344 -0.792 20 0 CBADLP CN(C)C(=O)C[N@H+](C)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001403662120 902783729 /nfs/dbraw/zinc/78/37/29/902783729.db2.gz JTYFLZXWZQQOKD-UHFFFAOYSA-N 2 2 284.404 -0.536 20 0 CBADLP CN(C)C(=O)C[N@@H+](C)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001403662120 902783743 /nfs/dbraw/zinc/78/37/43/902783743.db2.gz JTYFLZXWZQQOKD-UHFFFAOYSA-N 2 2 284.404 -0.536 20 0 CBADLP CCN(C)C(=O)C[N@H+](C)CCNC(=O)CC[NH+](C)C ZINC001403662301 902784480 /nfs/dbraw/zinc/78/44/80/902784480.db2.gz SHHOANYJAHGFIX-UHFFFAOYSA-N 2 2 272.393 -0.536 20 0 CBADLP CCN(C)C(=O)C[N@@H+](C)CCNC(=O)CC[NH+](C)C ZINC001403662301 902784486 /nfs/dbraw/zinc/78/44/86/902784486.db2.gz SHHOANYJAHGFIX-UHFFFAOYSA-N 2 2 272.393 -0.536 20 0 CBADLP C[C@@H](F)CC[NH2+][C@@H](CO)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001403713644 902820648 /nfs/dbraw/zinc/82/06/48/902820648.db2.gz IFIMBNGUTDKVFG-NXEZZACHSA-N 2 2 272.324 -0.233 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001403782674 902845781 /nfs/dbraw/zinc/84/57/81/902845781.db2.gz AKNWAOFRUXHQFU-MNOVXSKESA-N 2 2 293.371 -0.427 20 0 CBADLP C[C@@H]1[C@H](NC(=O)C2([NH+](C)C)CCC2)CCC[N@@H+]1CC(N)=O ZINC001403819761 902860548 /nfs/dbraw/zinc/86/05/48/902860548.db2.gz MYNIQJVODGXPIY-VXGBXAGGSA-N 2 2 296.415 -0.075 20 0 CBADLP C[C@@H]1[C@H](NC(=O)C2([NH+](C)C)CCC2)CCC[N@H+]1CC(N)=O ZINC001403819761 902860559 /nfs/dbraw/zinc/86/05/59/902860559.db2.gz MYNIQJVODGXPIY-VXGBXAGGSA-N 2 2 296.415 -0.075 20 0 CBADLP CNC(=O)C[NH2+]C[C@H](NC(=O)Cc1c[nH]c[nH+]1)C(C)(C)C ZINC001403967314 902916498 /nfs/dbraw/zinc/91/64/98/902916498.db2.gz YXQUJAAVIULVAD-NSHDSACASA-N 2 2 295.387 -0.181 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001404005772 902924209 /nfs/dbraw/zinc/92/42/09/902924209.db2.gz UFXTVQVXJROVMS-NWDGAFQWSA-N 2 2 293.371 -0.272 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CCC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001404005772 902924220 /nfs/dbraw/zinc/92/42/20/902924220.db2.gz UFXTVQVXJROVMS-NWDGAFQWSA-N 2 2 293.371 -0.272 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001404093454 902939574 /nfs/dbraw/zinc/93/95/74/902939574.db2.gz YSAROMVADVTJMK-VHSXEESVSA-N 2 2 279.344 -0.736 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001404093454 902939585 /nfs/dbraw/zinc/93/95/85/902939585.db2.gz YSAROMVADVTJMK-VHSXEESVSA-N 2 2 279.344 -0.736 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+](C)C ZINC001404970349 903061562 /nfs/dbraw/zinc/06/15/62/903061562.db2.gz PQAWCCWSEFKENJ-AVGNSLFASA-N 2 2 296.415 -0.252 20 0 CBADLP CNC(=O)[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+](C)C ZINC001404970349 903061573 /nfs/dbraw/zinc/06/15/73/903061573.db2.gz PQAWCCWSEFKENJ-AVGNSLFASA-N 2 2 296.415 -0.252 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+](C)C ZINC001404973718 903063631 /nfs/dbraw/zinc/06/36/31/903063631.db2.gz YHELONNSGHTTBM-WOPDTQHZSA-N 2 2 282.388 -0.513 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+](C)C ZINC001404973718 903063644 /nfs/dbraw/zinc/06/36/44/903063644.db2.gz YHELONNSGHTTBM-WOPDTQHZSA-N 2 2 282.388 -0.513 20 0 CBADLP CC[C@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+][C@H]1CCNC1=O ZINC001405254126 903131173 /nfs/dbraw/zinc/13/11/73/903131173.db2.gz MDDHDELESOPFQD-PWSUYJOCSA-N 2 2 293.371 -0.285 20 0 CBADLP CC[C@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH2+][C@H]1CCNC1=O ZINC001405254126 903131179 /nfs/dbraw/zinc/13/11/79/903131179.db2.gz MDDHDELESOPFQD-PWSUYJOCSA-N 2 2 293.371 -0.285 20 0 CBADLP CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)Cc1c[nH+]cn1C ZINC001405333487 903147569 /nfs/dbraw/zinc/14/75/69/903147569.db2.gz JJXXHVYMRZBYKX-NSHDSACASA-N 2 2 295.387 -0.417 20 0 CBADLP CC[N@H+](C)CCC(=O)NC[C@H]1C[NH+](CCOC)CCO1 ZINC001405737269 903210946 /nfs/dbraw/zinc/21/09/46/903210946.db2.gz IAWZRFAVFVQZIZ-ZDUSSCGKSA-N 2 2 287.404 -0.208 20 0 CBADLP CC[N@@H+](C)CCC(=O)NC[C@H]1C[NH+](CCOC)CCO1 ZINC001405737269 903210956 /nfs/dbraw/zinc/21/09/56/903210956.db2.gz IAWZRFAVFVQZIZ-ZDUSSCGKSA-N 2 2 287.404 -0.208 20 0 CBADLP CC[NH+](C)CCC(=O)NC[C@H]1C[N@H+](CCOC)CCO1 ZINC001405737269 903210966 /nfs/dbraw/zinc/21/09/66/903210966.db2.gz IAWZRFAVFVQZIZ-ZDUSSCGKSA-N 2 2 287.404 -0.208 20 0 CBADLP CC[NH+](C)CCC(=O)NC[C@H]1C[N@@H+](CCOC)CCO1 ZINC001405737269 903210978 /nfs/dbraw/zinc/21/09/78/903210978.db2.gz IAWZRFAVFVQZIZ-ZDUSSCGKSA-N 2 2 287.404 -0.208 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N1CCC2(C[NH+](CC(N)=O)C2)CC1 ZINC001405790134 903219347 /nfs/dbraw/zinc/21/93/47/903219347.db2.gz LGVDETQNDWWCNE-UHFFFAOYSA-N 2 2 296.415 -0.264 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N1CCC2(C[NH+](CC(N)=O)C2)CC1 ZINC001405790134 903219358 /nfs/dbraw/zinc/21/93/58/903219358.db2.gz LGVDETQNDWWCNE-UHFFFAOYSA-N 2 2 296.415 -0.264 20 0 CBADLP C[C@H](C[NH2+][C@H](C)C(N)=O)N(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001405873952 903240865 /nfs/dbraw/zinc/24/08/65/903240865.db2.gz PHGKUKRRIDHEBO-NXEZZACHSA-N 2 2 295.387 -0.002 20 0 CBADLP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2C[NH+](CCCO)CCO2)C1 ZINC001405891603 903246466 /nfs/dbraw/zinc/24/64/66/903246466.db2.gz SDGMXMAKVOPJIG-KBPBESRZSA-N 2 2 299.415 -0.472 20 0 CBADLP C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2C[NH+](CCCO)CCO2)C1 ZINC001405891603 903246472 /nfs/dbraw/zinc/24/64/72/903246472.db2.gz SDGMXMAKVOPJIG-KBPBESRZSA-N 2 2 299.415 -0.472 20 0 CBADLP C[C@H]1CC[NH+](CC(=O)NC[C@H]2C[N@H+](CCCO)CCO2)C1 ZINC001405891603 903246479 /nfs/dbraw/zinc/24/64/79/903246479.db2.gz SDGMXMAKVOPJIG-KBPBESRZSA-N 2 2 299.415 -0.472 20 0 CBADLP C[C@H]1CC[NH+](CC(=O)NC[C@H]2C[N@@H+](CCCO)CCO2)C1 ZINC001405891603 903246483 /nfs/dbraw/zinc/24/64/83/903246483.db2.gz SDGMXMAKVOPJIG-KBPBESRZSA-N 2 2 299.415 -0.472 20 0 CBADLP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH+](C)CC(N)=O ZINC001406115208 903274041 /nfs/dbraw/zinc/27/40/41/903274041.db2.gz RLYHHPMSYYDCKU-CYBMUJFWSA-N 2 2 298.431 -0.018 20 0 CBADLP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)CC[NH+](C)CC(N)=O ZINC001406115208 903274052 /nfs/dbraw/zinc/27/40/52/903274052.db2.gz RLYHHPMSYYDCKU-CYBMUJFWSA-N 2 2 298.431 -0.018 20 0 CBADLP CC(C)C[NH+]1CCC[C@@H]1C(=O)N(C)CC[N@H+](C)CC(N)=O ZINC001406115208 903274061 /nfs/dbraw/zinc/27/40/61/903274061.db2.gz RLYHHPMSYYDCKU-CYBMUJFWSA-N 2 2 298.431 -0.018 20 0 CBADLP CC(C)C[NH+]1CCC[C@@H]1C(=O)N(C)CC[N@@H+](C)CC(N)=O ZINC001406115208 903274069 /nfs/dbraw/zinc/27/40/69/903274069.db2.gz RLYHHPMSYYDCKU-CYBMUJFWSA-N 2 2 298.431 -0.018 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]Cc1ncccn1 ZINC001406223891 903309257 /nfs/dbraw/zinc/30/92/57/903309257.db2.gz RRCYNWWOZSCPCG-NEPJUHHUSA-N 2 2 293.371 -0.863 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]Cc1ncccn1 ZINC001406223891 903309266 /nfs/dbraw/zinc/30/92/66/903309266.db2.gz RRCYNWWOZSCPCG-NEPJUHHUSA-N 2 2 293.371 -0.863 20 0 CBADLP C[C@@H](CC[NH2+][C@H]1CCNC1=O)NC(=O)CCc1c[nH]c[nH+]1 ZINC001406293060 903341532 /nfs/dbraw/zinc/34/15/32/903341532.db2.gz BBUYVNJTNVMMIK-JQWIXIFHSA-N 2 2 293.371 -0.285 20 0 CBADLP C[C@@H](CC[NH2+][C@H]1CCNC1=O)NC(=O)CCc1c[nH+]c[nH]1 ZINC001406293060 903341547 /nfs/dbraw/zinc/34/15/47/903341547.db2.gz BBUYVNJTNVMMIK-JQWIXIFHSA-N 2 2 293.371 -0.285 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]CC[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001406303286 903345686 /nfs/dbraw/zinc/34/56/86/903345686.db2.gz GAMYDKJOPXNWES-VHSXEESVSA-N 2 2 281.360 -0.429 20 0 CBADLP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2cnsn2)C1 ZINC001406301380 903348155 /nfs/dbraw/zinc/34/81/55/903348155.db2.gz ZYYWKUPQPSSASE-KOLCDFICSA-N 2 2 299.400 -0.944 20 0 CBADLP C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2cnsn2)C1 ZINC001406301380 903348171 /nfs/dbraw/zinc/34/81/71/903348171.db2.gz ZYYWKUPQPSSASE-KOLCDFICSA-N 2 2 299.400 -0.944 20 0 CBADLP C[C@H](C[NH2+]Cc1cnn(C)c1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001406337140 903365428 /nfs/dbraw/zinc/36/54/28/903365428.db2.gz MFXZGPJTLAFJMI-DGCLKSJQSA-N 2 2 295.387 -0.655 20 0 CBADLP C[C@H](C[NH2+]Cc1cnn(C)c1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001406337140 903365447 /nfs/dbraw/zinc/36/54/47/903365447.db2.gz MFXZGPJTLAFJMI-DGCLKSJQSA-N 2 2 295.387 -0.655 20 0 CBADLP C[C@H](C[NH2+][C@@H]1CCN(C)C1=O)NC(=O)Cc1[nH]cc[nH+]1 ZINC001406416542 903394629 /nfs/dbraw/zinc/39/46/29/903394629.db2.gz ZLSUGQHMGMLZGS-NXEZZACHSA-N 2 2 279.344 -0.723 20 0 CBADLP C[C@@H](C[NH2+]Cc1nccn1C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001406456558 903406694 /nfs/dbraw/zinc/40/66/94/903406694.db2.gz XWBBUOQGQARKPA-NWDGAFQWSA-N 2 2 295.387 -0.655 20 0 CBADLP C[C@@H](C[NH2+]Cc1nccn1C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001406456558 903406700 /nfs/dbraw/zinc/40/67/00/903406700.db2.gz XWBBUOQGQARKPA-NWDGAFQWSA-N 2 2 295.387 -0.655 20 0 CBADLP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)CC(N)=O ZINC001406613104 903449938 /nfs/dbraw/zinc/44/99/38/903449938.db2.gz PQHNLAUSPJIABM-RYUDHWBXSA-N 2 2 284.404 -0.219 20 0 CBADLP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)CC(N)=O ZINC001406613104 903449948 /nfs/dbraw/zinc/44/99/48/903449948.db2.gz PQHNLAUSPJIABM-RYUDHWBXSA-N 2 2 284.404 -0.219 20 0 CBADLP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)CC(N)=O ZINC001406613104 903449958 /nfs/dbraw/zinc/44/99/58/903449958.db2.gz PQHNLAUSPJIABM-RYUDHWBXSA-N 2 2 284.404 -0.219 20 0 CBADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)CC(N)=O ZINC001406613104 903449962 /nfs/dbraw/zinc/44/99/62/903449962.db2.gz PQHNLAUSPJIABM-RYUDHWBXSA-N 2 2 284.404 -0.219 20 0 CBADLP Cn1nnc(C[NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C2CC2)n1 ZINC001406775880 903479004 /nfs/dbraw/zinc/47/90/04/903479004.db2.gz KUZXRABNEQCGOA-LLVKDONJSA-N 2 2 295.391 -0.854 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NC[C@H]1CC[NH+]1[C@H]1CCN(C)C1=O ZINC001406895632 903501383 /nfs/dbraw/zinc/50/13/83/903501383.db2.gz FEWBBBOXNNRLKV-OLZOCXBDSA-N 2 2 296.415 -0.252 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NC[C@H]1CC[NH+]1[C@H]1CCN(C)C1=O ZINC001406895632 903501392 /nfs/dbraw/zinc/50/13/92/903501392.db2.gz FEWBBBOXNNRLKV-OLZOCXBDSA-N 2 2 296.415 -0.252 20 0 CBADLP CC(C)[NH+](C)CC(=O)NC[C@H]1CC[N@@H+]1[C@H]1CCN(C)C1=O ZINC001406895632 903501397 /nfs/dbraw/zinc/50/13/97/903501397.db2.gz FEWBBBOXNNRLKV-OLZOCXBDSA-N 2 2 296.415 -0.252 20 0 CBADLP CC(C)[NH+](C)CC(=O)NC[C@H]1CC[N@H+]1[C@H]1CCN(C)C1=O ZINC001406895632 903501401 /nfs/dbraw/zinc/50/14/01/903501401.db2.gz FEWBBBOXNNRLKV-OLZOCXBDSA-N 2 2 296.415 -0.252 20 0 CBADLP COCC[N@@H+]1CC[C@](O)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001407378835 903586599 /nfs/dbraw/zinc/58/65/99/903586599.db2.gz VLGQMAMVSDBEMQ-AWEZNQCLSA-N 2 2 296.371 -0.838 20 0 CBADLP COCC[N@H+]1CC[C@](O)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001407378835 903586603 /nfs/dbraw/zinc/58/66/03/903586603.db2.gz VLGQMAMVSDBEMQ-AWEZNQCLSA-N 2 2 296.371 -0.838 20 0 CBADLP C[C@@H]1CC[C@@H](C[NH+]2CC(O)(CNC(=O)CC[NH+](C)C)C2)O1 ZINC001407507965 903622418 /nfs/dbraw/zinc/62/24/18/903622418.db2.gz RRQLYGYMINFSCX-OLZOCXBDSA-N 2 2 299.415 -0.332 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCC1([NH2+]CC(N)=O)CCC1 ZINC001407829389 903666937 /nfs/dbraw/zinc/66/69/37/903666937.db2.gz RLQFZULQVRMFOC-UHFFFAOYSA-N 2 2 279.344 -0.626 20 0 CBADLP C[C@H](C(N)=O)[N@H+](C)CCCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001407922355 903678971 /nfs/dbraw/zinc/67/89/71/903678971.db2.gz MUHFMZPFTQODET-SNVBAGLBSA-N 2 2 281.360 -0.394 20 0 CBADLP C[C@H](C(N)=O)[N@@H+](C)CCCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001407922355 903678979 /nfs/dbraw/zinc/67/89/79/903678979.db2.gz MUHFMZPFTQODET-SNVBAGLBSA-N 2 2 281.360 -0.394 20 0 CBADLP CCN(C)C(=O)C[NH2+][C@@H](C)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001408232278 903735302 /nfs/dbraw/zinc/73/53/02/903735302.db2.gz QFCOSJKXTLNTQY-NSHDSACASA-N 2 2 295.387 -0.085 20 0 CBADLP C[C@H](C(N)=O)[N@H+](C)C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001408355559 903758060 /nfs/dbraw/zinc/75/80/60/903758060.db2.gz IZJZPWFQGBISEQ-NEPJUHHUSA-N 2 2 293.371 -0.320 20 0 CBADLP C[C@H](C(N)=O)[N@@H+](C)C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001408355559 903758074 /nfs/dbraw/zinc/75/80/74/903758074.db2.gz IZJZPWFQGBISEQ-NEPJUHHUSA-N 2 2 293.371 -0.320 20 0 CBADLP C[C@H]([NH2+]CC1CC(NC(=O)Cc2[nH]cc[nH+]2)C1)C(N)=O ZINC001409284617 903876033 /nfs/dbraw/zinc/87/60/33/903876033.db2.gz QKDLNSHLYMXLMB-IDKOKCKLSA-N 2 2 279.344 -0.690 20 0 CBADLP C[C@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H](C)[NH2+]CC(=O)N(C)C ZINC001409396288 903897858 /nfs/dbraw/zinc/89/78/58/903897858.db2.gz MLEFARJSSWTBKS-UWVGGRQHSA-N 2 2 281.360 -0.477 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NC[C@H](C)[N@H+](C)[C@@H](C)C(N)=O ZINC001409581996 903933305 /nfs/dbraw/zinc/93/33/05/903933305.db2.gz NDGCFRLJEQRRDT-ONGXEEELSA-N 2 2 281.360 -0.498 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NC[C@H](C)[N@@H+](C)[C@@H](C)C(N)=O ZINC001409581996 903933313 /nfs/dbraw/zinc/93/33/13/903933313.db2.gz NDGCFRLJEQRRDT-ONGXEEELSA-N 2 2 281.360 -0.498 20 0 CBADLP C[C@@H](O)C[NH+]1CC([C@H](C)NC(=O)Cc2c[nH+]cn2C)C1 ZINC001409970226 903989059 /nfs/dbraw/zinc/98/90/59/903989059.db2.gz RNUKMSVXCXKWLM-MNOVXSKESA-N 2 2 280.372 -0.220 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001410106150 904018769 /nfs/dbraw/zinc/01/87/69/904018769.db2.gz DASCMSQTDIPIRV-XWLWVQCSSA-N 2 2 291.355 -0.880 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001410106150 904018783 /nfs/dbraw/zinc/01/87/83/904018783.db2.gz DASCMSQTDIPIRV-XWLWVQCSSA-N 2 2 291.355 -0.880 20 0 CBADLP CNC(=O)C[NH2+][C@H](C)CN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001410398090 904091609 /nfs/dbraw/zinc/09/16/09/904091609.db2.gz QIUXPVIPEWCRRY-SNVBAGLBSA-N 2 2 281.360 -0.475 20 0 CBADLP CNC(=O)C[NH2+][C@H](C)CN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001410398090 904091622 /nfs/dbraw/zinc/09/16/22/904091622.db2.gz QIUXPVIPEWCRRY-SNVBAGLBSA-N 2 2 281.360 -0.475 20 0 CBADLP CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)CCn1cc[nH+]c1 ZINC001410419026 904092659 /nfs/dbraw/zinc/09/26/59/904092659.db2.gz IPHIJYQGFGDYJE-LBPRGKRZSA-N 2 2 295.387 -0.154 20 0 CBADLP CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001410468030 904106076 /nfs/dbraw/zinc/10/60/76/904106076.db2.gz NJJMIJYIKCUBTM-SNVBAGLBSA-N 2 2 281.360 -0.475 20 0 CBADLP COC[C@@H](O)C[NH2+][C@H](C)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001410527337 904116502 /nfs/dbraw/zinc/11/65/02/904116502.db2.gz IBOZONPVSZBLFX-NEPJUHHUSA-N 2 2 284.360 -0.673 20 0 CBADLP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H](CO)[NH2+]Cc2ccon2)C1 ZINC001410755576 904181319 /nfs/dbraw/zinc/18/13/19/904181319.db2.gz PPQCSXKNHYGBDR-YPMHNXCESA-N 2 2 296.371 -0.417 20 0 CBADLP C[N@H+]1CC[C@H](CC(=O)NC[C@@H](CO)[NH2+]Cc2ccon2)C1 ZINC001410755576 904181324 /nfs/dbraw/zinc/18/13/24/904181324.db2.gz PPQCSXKNHYGBDR-YPMHNXCESA-N 2 2 296.371 -0.417 20 0 CBADLP Cn1ccnc1C[NH2+][C@@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001410781849 904184759 /nfs/dbraw/zinc/18/47/59/904184759.db2.gz GKHHNEHKDQZXLV-GFCCVEGCSA-N 2 2 295.387 -0.917 20 0 CBADLP Cc1nocc1C[NH2+][C@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001410823432 904193122 /nfs/dbraw/zinc/19/31/22/904193122.db2.gz QHMIIZJCECHOBK-LBPRGKRZSA-N 2 2 293.327 -0.554 20 0 CBADLP CO[C@H](C)C[N@H+](C)C[C@@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001411178294 904256670 /nfs/dbraw/zinc/25/66/70/904256670.db2.gz GIJMOGQSYSKELK-VXGBXAGGSA-N 2 2 298.387 -0.262 20 0 CBADLP CO[C@H](C)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001411178294 904256682 /nfs/dbraw/zinc/25/66/82/904256682.db2.gz GIJMOGQSYSKELK-VXGBXAGGSA-N 2 2 298.387 -0.262 20 0 CBADLP CC(C)(C)[C@@H](C[NH2+]CC(N)=O)NC(=O)Cc1[nH]cc[nH+]1 ZINC001411219645 904267500 /nfs/dbraw/zinc/26/75/00/904267500.db2.gz WGVJCNPFQZTORC-SECBINFHSA-N 2 2 281.360 -0.442 20 0 CBADLP CC[N@@H+]1CC[C@H]1C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC001412532196 904610959 /nfs/dbraw/zinc/61/09/59/904610959.db2.gz LHBDFHGGMLEEMZ-LBPRGKRZSA-N 2 2 282.388 -0.639 20 0 CBADLP CC[N@H+]1CC[C@H]1C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC001412532196 904610969 /nfs/dbraw/zinc/61/09/69/904610969.db2.gz LHBDFHGGMLEEMZ-LBPRGKRZSA-N 2 2 282.388 -0.639 20 0 CBADLP CN(C)C(=O)C[N@@H+]1CCCN(C(=O)C2([NH+](C)C)CC2)CC1 ZINC001412587927 904632882 /nfs/dbraw/zinc/63/28/82/904632882.db2.gz GDLSRUXCXYYLSG-UHFFFAOYSA-N 2 2 296.415 -0.297 20 0 CBADLP CN(C)C(=O)C[N@H+]1CCCN(C(=O)C2([NH+](C)C)CC2)CC1 ZINC001412587927 904632887 /nfs/dbraw/zinc/63/28/87/904632887.db2.gz GDLSRUXCXYYLSG-UHFFFAOYSA-N 2 2 296.415 -0.297 20 0 CBADLP CC(C)(O)[C@H](O)C[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC001412958809 904824134 /nfs/dbraw/zinc/82/41/34/904824134.db2.gz JOCNKFBJPFCZOD-QWHCGFSZSA-N 2 2 299.415 -0.468 20 0 CBADLP CC(C)(O)[C@H](O)C[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC001412958809 904824150 /nfs/dbraw/zinc/82/41/50/904824150.db2.gz JOCNKFBJPFCZOD-QWHCGFSZSA-N 2 2 299.415 -0.468 20 0 CBADLP O=C(C[NH+]1CCC(CO)CC1)N1CC[N@@H+]2C[C@@H](F)C[C@H]2C1 ZINC001412997391 904856638 /nfs/dbraw/zinc/85/66/38/904856638.db2.gz DLJYFZZBPZYRDI-KBPBESRZSA-N 2 2 299.390 -0.055 20 0 CBADLP O=C(C[NH+]1CCC(CO)CC1)N1CC[N@H+]2C[C@@H](F)C[C@H]2C1 ZINC001412997391 904856644 /nfs/dbraw/zinc/85/66/44/904856644.db2.gz DLJYFZZBPZYRDI-KBPBESRZSA-N 2 2 299.390 -0.055 20 0 CBADLP COC(=O)[C@H]1CN(CCC[NH+]2CCOCC2)CC[N@H+](C)C1 ZINC001413999216 905307612 /nfs/dbraw/zinc/30/76/12/905307612.db2.gz KPJFRCJITWHJCP-CQSZACIVSA-N 2 2 299.415 -0.255 20 0 CBADLP COC(=O)[C@H]1CN(CCC[NH+]2CCOCC2)CC[N@@H+](C)C1 ZINC001413999216 905307629 /nfs/dbraw/zinc/30/76/29/905307629.db2.gz KPJFRCJITWHJCP-CQSZACIVSA-N 2 2 299.415 -0.255 20 0 CBADLP COC(=O)[C@H]1CN(CC[N@@H+]2CCO[C@H](C)C2)CC[NH+](C)C1 ZINC001414001794 905312417 /nfs/dbraw/zinc/31/24/17/905312417.db2.gz VTQOKMLHINHLPB-ZIAGYGMSSA-N 2 2 299.415 -0.256 20 0 CBADLP COC(=O)[C@H]1CN(CC[N@H+]2CCO[C@H](C)C2)CC[NH+](C)C1 ZINC001414001794 905312433 /nfs/dbraw/zinc/31/24/33/905312433.db2.gz VTQOKMLHINHLPB-ZIAGYGMSSA-N 2 2 299.415 -0.256 20 0 CBADLP COC(=O)[C@H]1CN(CC[NH+]2CCO[C@H](C)C2)CC[N@H+](C)C1 ZINC001414001794 905312451 /nfs/dbraw/zinc/31/24/51/905312451.db2.gz VTQOKMLHINHLPB-ZIAGYGMSSA-N 2 2 299.415 -0.256 20 0 CBADLP COC(=O)[C@H]1CN(CC[NH+]2CCO[C@H](C)C2)CC[N@@H+](C)C1 ZINC001414001794 905312470 /nfs/dbraw/zinc/31/24/70/905312470.db2.gz VTQOKMLHINHLPB-ZIAGYGMSSA-N 2 2 299.415 -0.256 20 0 CBADLP C[NH+](C)CCC(=O)N1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001414795808 905516184 /nfs/dbraw/zinc/51/61/84/905516184.db2.gz YFXVPLQODNRSNR-LLVKDONJSA-N 2 2 293.371 -0.379 20 0 CBADLP C[NH+](C)CCC(=O)N[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001414797039 905516239 /nfs/dbraw/zinc/51/62/39/905516239.db2.gz PJVCTDQSHPJEKF-LLVKDONJSA-N 2 2 293.371 -0.379 20 0 CBADLP CCC[N@H+](C)CCC(=O)N(C)C[C@@H]1CC[NH+]1CC(=O)NC ZINC001417748475 906038080 /nfs/dbraw/zinc/03/80/80/906038080.db2.gz RUGHKRJBNOQGGD-ZDUSSCGKSA-N 2 2 298.431 -0.003 20 0 CBADLP CCC[N@@H+](C)CCC(=O)N(C)C[C@@H]1CC[NH+]1CC(=O)NC ZINC001417748475 906038099 /nfs/dbraw/zinc/03/80/99/906038099.db2.gz RUGHKRJBNOQGGD-ZDUSSCGKSA-N 2 2 298.431 -0.003 20 0 CBADLP CCC[NH+](C)CCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)NC ZINC001417748475 906038119 /nfs/dbraw/zinc/03/81/19/906038119.db2.gz RUGHKRJBNOQGGD-ZDUSSCGKSA-N 2 2 298.431 -0.003 20 0 CBADLP CCC[NH+](C)CCC(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)NC ZINC001417748475 906038141 /nfs/dbraw/zinc/03/81/41/906038141.db2.gz RUGHKRJBNOQGGD-ZDUSSCGKSA-N 2 2 298.431 -0.003 20 0 CBADLP C[C@H]([NH2+][C@H]1C[C@H](CNC(=O)CCc2c[nH]c[nH+]2)C1)C(N)=O ZINC001417789478 906050573 /nfs/dbraw/zinc/05/05/73/906050573.db2.gz ALAAZBSDPJKFEK-NHCYSSNCSA-N 2 2 293.371 -0.300 20 0 CBADLP C[C@H]([NH2+][C@H]1C[C@H](CNC(=O)CCc2c[nH+]c[nH]2)C1)C(N)=O ZINC001417789478 906050585 /nfs/dbraw/zinc/05/05/85/906050585.db2.gz ALAAZBSDPJKFEK-NHCYSSNCSA-N 2 2 293.371 -0.300 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1CC(N)=O ZINC001417851103 906065951 /nfs/dbraw/zinc/06/59/51/906065951.db2.gz FORZATOENVMWMW-MNOVXSKESA-N 2 2 282.388 -0.465 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@H+]1CC(N)=O ZINC001417851103 906065958 /nfs/dbraw/zinc/06/59/58/906065958.db2.gz FORZATOENVMWMW-MNOVXSKESA-N 2 2 282.388 -0.465 20 0 CBADLP CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001417937791 906117593 /nfs/dbraw/zinc/11/75/93/906117593.db2.gz GFHOHBAKXZINAF-LBPRGKRZSA-N 2 2 293.371 -0.482 20 0 CBADLP CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001417937791 906117598 /nfs/dbraw/zinc/11/75/98/906117598.db2.gz GFHOHBAKXZINAF-LBPRGKRZSA-N 2 2 293.371 -0.482 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001418110087 906172598 /nfs/dbraw/zinc/17/25/98/906172598.db2.gz PIKRRRBVHFVYLM-BBBLOLIVSA-N 2 2 279.344 -0.690 20 0 CBADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001418110087 906172607 /nfs/dbraw/zinc/17/26/07/906172607.db2.gz PIKRRRBVHFVYLM-BBBLOLIVSA-N 2 2 279.344 -0.690 20 0 CBADLP O=C(C[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C1)NC1CC1 ZINC001418110720 906172956 /nfs/dbraw/zinc/17/29/56/906172956.db2.gz DMOSTTFMQCZPHD-TXEJJXNPSA-N 2 2 291.355 -0.602 20 0 CBADLP CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001418344053 906290682 /nfs/dbraw/zinc/29/06/82/906290682.db2.gz OCJBQUQPIUGONN-LLVKDONJSA-N 2 2 293.371 -0.474 20 0 CBADLP CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001418344053 906290700 /nfs/dbraw/zinc/29/07/00/906290700.db2.gz OCJBQUQPIUGONN-LLVKDONJSA-N 2 2 293.371 -0.474 20 0 CBADLP CC[C@H]([NH2+][C@@H](C)CCNC(=O)Cc1c[nH]c[nH+]1)C(N)=O ZINC001418420806 906315911 /nfs/dbraw/zinc/31/59/11/906315911.db2.gz RSVJZTOUHQFTDK-ONGXEEELSA-N 2 2 281.360 -0.300 20 0 CBADLP C[C@H](CCNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CCn1cncn1 ZINC001418430238 906319074 /nfs/dbraw/zinc/31/90/74/906319074.db2.gz NRASMVAHTRPPIS-LLVKDONJSA-N 2 2 291.359 -0.272 20 0 CBADLP CCN(C)C(=O)C[NH2+][C@@H](C)CCNC(=O)Cn1cc[nH+]c1 ZINC001418436418 906325130 /nfs/dbraw/zinc/32/51/30/906325130.db2.gz KAQZXFDFASFOMD-LBPRGKRZSA-N 2 2 295.387 -0.154 20 0 CBADLP CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001418595063 906418762 /nfs/dbraw/zinc/41/87/62/906418762.db2.gz PMFRLKYNFQNQQF-STQMWFEESA-N 2 2 296.415 -0.203 20 0 CBADLP CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001418595063 906418771 /nfs/dbraw/zinc/41/87/71/906418771.db2.gz PMFRLKYNFQNQQF-STQMWFEESA-N 2 2 296.415 -0.203 20 0 CBADLP CCNC(=O)C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001418595063 906418777 /nfs/dbraw/zinc/41/87/77/906418777.db2.gz PMFRLKYNFQNQQF-STQMWFEESA-N 2 2 296.415 -0.203 20 0 CBADLP CCNC(=O)C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001418595063 906418790 /nfs/dbraw/zinc/41/87/90/906418790.db2.gz PMFRLKYNFQNQQF-STQMWFEESA-N 2 2 296.415 -0.203 20 0 CBADLP CC[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1CC(N)=O)[NH+](C)C ZINC001418635805 906434018 /nfs/dbraw/zinc/43/40/18/906434018.db2.gz HLJRVQIPFBKCQX-WDEREUQCSA-N 2 2 270.377 -0.608 20 0 CBADLP CC[C@H](C(=O)NC[C@@H]1CCC[N@H+]1CC(N)=O)[NH+](C)C ZINC001418635805 906434029 /nfs/dbraw/zinc/43/40/29/906434029.db2.gz HLJRVQIPFBKCQX-WDEREUQCSA-N 2 2 270.377 -0.608 20 0 CBADLP C[C@@H]([NH2+]CCN(C)C(=O)CCc1[nH+]ccn1C)C(N)=O ZINC001418833890 906493638 /nfs/dbraw/zinc/49/36/38/906493638.db2.gz YHHMDBWWFOIZDO-SNVBAGLBSA-N 2 2 281.360 -0.726 20 0 CBADLP C[N@@H+](CC(N)=O)C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001418936291 906518640 /nfs/dbraw/zinc/51/86/40/906518640.db2.gz KBIVLQVCALUCIV-LBPRGKRZSA-N 2 2 293.371 -0.461 20 0 CBADLP C[N@H+](CC(N)=O)C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001418936291 906518645 /nfs/dbraw/zinc/51/86/45/906518645.db2.gz KBIVLQVCALUCIV-LBPRGKRZSA-N 2 2 293.371 -0.461 20 0 CBADLP C[N@@H+](CC(N)=O)C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001418941092 906523272 /nfs/dbraw/zinc/52/32/72/906523272.db2.gz KOGVVLCJWPDJED-NSHDSACASA-N 2 2 279.344 -0.851 20 0 CBADLP C[N@H+](CC(N)=O)C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001418941092 906523275 /nfs/dbraw/zinc/52/32/75/906523275.db2.gz KOGVVLCJWPDJED-NSHDSACASA-N 2 2 279.344 -0.851 20 0 CBADLP CCNC(=O)C[NH+]1CC(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001419041738 906574060 /nfs/dbraw/zinc/57/40/60/906574060.db2.gz DPIAGGDIFJDTNC-UHFFFAOYSA-N 2 2 284.404 -0.489 20 0 CBADLP CCNC(=O)C[NH+]1CC(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001419041738 906574069 /nfs/dbraw/zinc/57/40/69/906574069.db2.gz DPIAGGDIFJDTNC-UHFFFAOYSA-N 2 2 284.404 -0.489 20 0 CBADLP O=C(Cn1cc[nH+]c1)NCC1C[NH+](C[C@@H]2CCOC2)C1 ZINC001419047193 906574887 /nfs/dbraw/zinc/57/48/87/906574887.db2.gz IQISFPLFDBFJSU-LBPRGKRZSA-N 2 2 278.356 -0.032 20 0 CBADLP CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001419101518 906598029 /nfs/dbraw/zinc/59/80/29/906598029.db2.gz DFTMHBGVSQNKFY-STQMWFEESA-N 2 2 296.415 -0.251 20 0 CBADLP CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001419101518 906598036 /nfs/dbraw/zinc/59/80/36/906598036.db2.gz DFTMHBGVSQNKFY-STQMWFEESA-N 2 2 296.415 -0.251 20 0 CBADLP CCNC(=O)C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001419101518 906598041 /nfs/dbraw/zinc/59/80/41/906598041.db2.gz DFTMHBGVSQNKFY-STQMWFEESA-N 2 2 296.415 -0.251 20 0 CBADLP CCNC(=O)C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001419101518 906598049 /nfs/dbraw/zinc/59/80/49/906598049.db2.gz DFTMHBGVSQNKFY-STQMWFEESA-N 2 2 296.415 -0.251 20 0 CBADLP CC[C@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)[NH2+]CC(N)=O ZINC001419199169 906637499 /nfs/dbraw/zinc/63/74/99/906637499.db2.gz CNDXKUBGNYSPQB-WDEREUQCSA-N 2 2 293.371 -0.585 20 0 CBADLP CC[C@@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)[NH2+]CC(N)=O ZINC001419199167 906638887 /nfs/dbraw/zinc/63/88/87/906638887.db2.gz CNDXKUBGNYSPQB-QWRGUYRKSA-N 2 2 293.371 -0.585 20 0 CBADLP CC[C@H](CNC(=O)CCc1c[nH+]cn1C)[NH2+]CC(=O)NC ZINC001419281685 906655847 /nfs/dbraw/zinc/65/58/47/906655847.db2.gz STGGHHDPFBPDLN-LLVKDONJSA-N 2 2 295.387 -0.417 20 0 CBADLP CN(C)C(=O)C[NH2+][C@H](CNC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001419288459 906658522 /nfs/dbraw/zinc/65/85/22/906658522.db2.gz JATOEOPBMVIGCZ-GFCCVEGCSA-N 2 2 293.371 -0.475 20 0 CBADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001419425819 906686200 /nfs/dbraw/zinc/68/62/00/906686200.db2.gz HQLZKKMWCDYBNB-NAKRPEOUSA-N 2 2 293.371 -0.301 20 0 CBADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001419425819 906686210 /nfs/dbraw/zinc/68/62/10/906686210.db2.gz HQLZKKMWCDYBNB-NAKRPEOUSA-N 2 2 293.371 -0.301 20 0 CBADLP COC[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001419499926 906705731 /nfs/dbraw/zinc/70/57/31/906705731.db2.gz KXYPXSCTLIVMQH-JFGNBEQYSA-N 2 2 282.344 -0.804 20 0 CBADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C[NH2+][C@@H](C)C(=O)N(C)C ZINC001419510001 906707059 /nfs/dbraw/zinc/70/70/59/906707059.db2.gz HZYZTTLRSYJJHY-MNOVXSKESA-N 2 2 295.387 -0.229 20 0 CBADLP CC[C@H]([NH2+]C[C@H](C)CNC(=O)Cc1[nH]c[nH+]c1C)C(N)=O ZINC001419528543 906715154 /nfs/dbraw/zinc/71/51/54/906715154.db2.gz QAGIDONPXVRLQK-ONGXEEELSA-N 2 2 295.387 -0.134 20 0 CBADLP CC[C@@H]([NH2+]C[C@H](C)CNC(=O)Cc1[nH]c[nH+]c1C)C(N)=O ZINC001419528534 906716774 /nfs/dbraw/zinc/71/67/74/906716774.db2.gz QAGIDONPXVRLQK-GXSJLCMTSA-N 2 2 295.387 -0.134 20 0 CBADLP CC[C@H]([NH2+]C[C@@H](C)CNC(=O)Cc1c[nH+]cn1C)C(N)=O ZINC001419547363 906719960 /nfs/dbraw/zinc/71/99/60/906719960.db2.gz VCEHTASNYLAQLE-PWSUYJOCSA-N 2 2 295.387 -0.432 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NC[C@H]1CCCC[NH+]1CC(N)=O ZINC001419617244 906743507 /nfs/dbraw/zinc/74/35/07/906743507.db2.gz LJZIJVSYHMXIPK-GFCCVEGCSA-N 2 2 284.404 -0.217 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NC[C@H]1CCCC[NH+]1CC(N)=O ZINC001419617244 906743521 /nfs/dbraw/zinc/74/35/21/906743521.db2.gz LJZIJVSYHMXIPK-GFCCVEGCSA-N 2 2 284.404 -0.217 20 0 CBADLP CC(C)[NH+](C)CC(=O)NC[C@H]1CCCC[N@@H+]1CC(N)=O ZINC001419617244 906743534 /nfs/dbraw/zinc/74/35/34/906743534.db2.gz LJZIJVSYHMXIPK-GFCCVEGCSA-N 2 2 284.404 -0.217 20 0 CBADLP CC(C)[NH+](C)CC(=O)NC[C@H]1CCCC[N@H+]1CC(N)=O ZINC001419617244 906743546 /nfs/dbraw/zinc/74/35/46/906743546.db2.gz LJZIJVSYHMXIPK-GFCCVEGCSA-N 2 2 284.404 -0.217 20 0 CBADLP CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)CCn1cc[nH+]c1 ZINC001419686642 906764789 /nfs/dbraw/zinc/76/47/89/906764789.db2.gz MKYYSEQKRQWEOI-LBPRGKRZSA-N 2 2 295.387 -0.154 20 0 CBADLP C[C@@H]([NH2+][C@@H](C)CNC(=O)c1cc(C[NH+](C)C)on1)C(N)=O ZINC001419802309 906821471 /nfs/dbraw/zinc/82/14/71/906821471.db2.gz WCHNNULYEOUZMY-DTWKUNHWSA-N 2 2 297.359 -0.682 20 0 CBADLP CC(C)NC(=O)C[NH2+][C@@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001419846782 906833808 /nfs/dbraw/zinc/83/38/08/906833808.db2.gz GKRYFIJOARQYDH-JTQLQIEISA-N 2 2 281.360 -0.429 20 0 CBADLP C[C@H]([NH2+]CC(N)=O)[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001419838314 906834084 /nfs/dbraw/zinc/83/40/84/906834084.db2.gz XEPIYCRRKMXMJE-QWRGUYRKSA-N 2 2 293.371 -0.346 20 0 CBADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@@H]1CCCNC1=O ZINC001419894413 906850437 /nfs/dbraw/zinc/85/04/37/906850437.db2.gz KIHLMAHYMHQNPO-NXEZZACHSA-N 2 2 279.344 -0.675 20 0 CBADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]Cc1cnn(C)c1 ZINC001419907856 906854771 /nfs/dbraw/zinc/85/47/71/906854771.db2.gz XIPRYYRWPXKQTR-JTQLQIEISA-N 2 2 276.344 -0.020 20 0 CBADLP CNC(=O)C[NH2+][C@H](CNC(=O)Cc1[nH]cc[nH+]1)C(C)C ZINC001419922367 906859881 /nfs/dbraw/zinc/85/98/81/906859881.db2.gz PIKPXZXLXNKFQG-SNVBAGLBSA-N 2 2 281.360 -0.571 20 0 CBADLP C[C@H](C(N)=O)[N@H+](C)CCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001419991917 906888596 /nfs/dbraw/zinc/88/85/96/906888596.db2.gz VGZNUHASCJFYAQ-GFCCVEGCSA-N 2 2 296.415 -0.121 20 0 CBADLP C[C@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001419991917 906888609 /nfs/dbraw/zinc/88/86/09/906888609.db2.gz VGZNUHASCJFYAQ-GFCCVEGCSA-N 2 2 296.415 -0.121 20 0 CBADLP C[C@H](CCNC(=O)[C@H]1CCc2[nH+]ccn2C1)[NH2+]CCO ZINC001420102280 906939794 /nfs/dbraw/zinc/93/97/94/906939794.db2.gz RFKNMPBWGSHJCN-NEPJUHHUSA-N 2 2 280.372 -0.078 20 0 CBADLP C[C@H](CCNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@H](C)C(=O)N(C)C ZINC001420140656 906965020 /nfs/dbraw/zinc/96/50/20/906965020.db2.gz KVSGRQUMRMKPLL-GHMZBOCLSA-N 2 2 295.387 -0.087 20 0 CBADLP O=C(NC[C@@H](O)C[NH2+]CC1CC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001420143816 906971356 /nfs/dbraw/zinc/97/13/56/906971356.db2.gz KLUORLNRKBOJNK-OLZOCXBDSA-N 2 2 292.383 -0.078 20 0 CBADLP C[C@@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1cnnn1C ZINC001420172375 906984587 /nfs/dbraw/zinc/98/45/87/906984587.db2.gz SHHCEKPMDMTQEO-NSHDSACASA-N 2 2 291.359 -0.304 20 0 CBADLP C[C@@H](C(=O)N(C)C)[N@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001420249501 907041023 /nfs/dbraw/zinc/04/10/23/907041023.db2.gz CPYMLELLTAHMCK-QWHCGFSZSA-N 2 2 298.431 -0.005 20 0 CBADLP C[C@@H](C(=O)N(C)C)[N@@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001420249501 907041024 /nfs/dbraw/zinc/04/10/24/907041024.db2.gz CPYMLELLTAHMCK-QWHCGFSZSA-N 2 2 298.431 -0.005 20 0 CBADLP C[C@@H](C(=O)N(C)C)[NH+](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001420249501 907041036 /nfs/dbraw/zinc/04/10/36/907041036.db2.gz CPYMLELLTAHMCK-QWHCGFSZSA-N 2 2 298.431 -0.005 20 0 CBADLP C[C@@H](C(=O)N(C)C)[NH+](C)CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001420249501 907041051 /nfs/dbraw/zinc/04/10/51/907041051.db2.gz CPYMLELLTAHMCK-QWHCGFSZSA-N 2 2 298.431 -0.005 20 0 CBADLP C[C@@H](CC[NH2+][C@@H]1CCN(C)C1=O)NC(=O)Cn1cc[nH+]c1 ZINC001420243182 907041134 /nfs/dbraw/zinc/04/11/34/907041134.db2.gz KUBWRLPBAUDKNS-NWDGAFQWSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@@H](CC[NH2+][C@H]1CCN(C)C1=O)NC(=O)Cn1cc[nH+]c1 ZINC001420243184 907045918 /nfs/dbraw/zinc/04/59/18/907045918.db2.gz KUBWRLPBAUDKNS-RYUDHWBXSA-N 2 2 293.371 -0.402 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[NH2+]Cc1cn(C)nn1 ZINC001420319284 907095474 /nfs/dbraw/zinc/09/54/74/907095474.db2.gz IYPBSGKIITZTGD-SNVBAGLBSA-N 2 2 291.359 -0.385 20 0 CBADLP C[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)CC(=O)N1CCC1 ZINC001420332401 907103884 /nfs/dbraw/zinc/10/38/84/907103884.db2.gz BEUUIIPSLLQCEO-UHFFFAOYSA-N 2 2 294.399 -0.638 20 0 CBADLP C[N@@H+](CCNC(=O)C12CC[NH+](CC1)C2)CC(=O)N1CCC1 ZINC001420332401 907103893 /nfs/dbraw/zinc/10/38/93/907103893.db2.gz BEUUIIPSLLQCEO-UHFFFAOYSA-N 2 2 294.399 -0.638 20 0 CBADLP CCCNC(=O)C[NH+](C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001420345361 907113008 /nfs/dbraw/zinc/11/30/08/907113008.db2.gz MARINDFSDIOQKE-LBPRGKRZSA-N 2 2 284.404 -0.488 20 0 CBADLP CCCNC(=O)C[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001420345361 907112980 /nfs/dbraw/zinc/11/29/80/907112980.db2.gz MARINDFSDIOQKE-LBPRGKRZSA-N 2 2 284.404 -0.488 20 0 CBADLP CCCNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001420345361 907112987 /nfs/dbraw/zinc/11/29/87/907112987.db2.gz MARINDFSDIOQKE-LBPRGKRZSA-N 2 2 284.404 -0.488 20 0 CBADLP CCCNC(=O)C[NH+](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001420345361 907112998 /nfs/dbraw/zinc/11/29/98/907112998.db2.gz MARINDFSDIOQKE-LBPRGKRZSA-N 2 2 284.404 -0.488 20 0 CBADLP CCN1CC[C@@H]([NH2+]C[C@@H](C)NC(=O)Cc2[nH]cc[nH+]2)C1=O ZINC001420351553 907120384 /nfs/dbraw/zinc/12/03/84/907120384.db2.gz IHTCIDSIBJUGIF-GHMZBOCLSA-N 2 2 293.371 -0.333 20 0 CBADLP C[C@H](C[NH2+][C@@H]1CCCNC1=O)NC(=O)Cc1c[nH+]cn1C ZINC001420367364 907124705 /nfs/dbraw/zinc/12/47/05/907124705.db2.gz QKYUKASLINTQMD-ZYHUDNBSSA-N 2 2 293.371 -0.665 20 0 CBADLP CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)Cc1cnnn1C ZINC001420448604 907166870 /nfs/dbraw/zinc/16/68/70/907166870.db2.gz OWFRBLDBSZJKRW-LBPRGKRZSA-N 2 2 294.403 -0.295 20 0 CBADLP CC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)Cc1cnnn1C ZINC001420448604 907166877 /nfs/dbraw/zinc/16/68/77/907166877.db2.gz OWFRBLDBSZJKRW-LBPRGKRZSA-N 2 2 294.403 -0.295 20 0 CBADLP CC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)Cc1cnnn1C ZINC001420448604 907166887 /nfs/dbraw/zinc/16/68/87/907166887.db2.gz OWFRBLDBSZJKRW-LBPRGKRZSA-N 2 2 294.403 -0.295 20 0 CBADLP CC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)Cc1cnnn1C ZINC001420448604 907166893 /nfs/dbraw/zinc/16/68/93/907166893.db2.gz OWFRBLDBSZJKRW-LBPRGKRZSA-N 2 2 294.403 -0.295 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CCC[N@H+]1[C@H](C)C(N)=O ZINC001420467675 907173909 /nfs/dbraw/zinc/17/39/09/907173909.db2.gz KDBZOMQCEZZVQH-NEPJUHHUSA-N 2 2 293.371 -0.354 20 0 CBADLP CC[C@@H]([NH2+]C[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C)C(N)=O ZINC001420501803 907189124 /nfs/dbraw/zinc/18/91/24/907189124.db2.gz QVGDWYZYCNYOBO-WCBMZHEXSA-N 2 2 281.360 -0.381 20 0 CBADLP C[C@@H](C[NH2+]Cc1cnn(C)c1)NC(=O)Cc1c[nH+]cn1C ZINC001420508707 907189573 /nfs/dbraw/zinc/18/95/73/907189573.db2.gz RPWQTYSFIOFDAQ-NSHDSACASA-N 2 2 290.371 -0.009 20 0 CBADLP C[C@H](C[N@@H+](C)[C@@H](C)C(N)=O)NC(=O)CCn1cc[nH+]c1 ZINC001420608055 907242939 /nfs/dbraw/zinc/24/29/39/907242939.db2.gz AWOMKLLNBJBPTR-MNOVXSKESA-N 2 2 281.360 -0.417 20 0 CBADLP C[C@H](C[N@H+](C)[C@@H](C)C(N)=O)NC(=O)CCn1cc[nH+]c1 ZINC001420608055 907242924 /nfs/dbraw/zinc/24/29/24/907242924.db2.gz AWOMKLLNBJBPTR-MNOVXSKESA-N 2 2 281.360 -0.417 20 0 CBADLP C[C@@H](C[N@H+](C)[C@H]1CCN(C)C1=O)NC(=O)Cn1cc[nH+]c1 ZINC001420673501 907265657 /nfs/dbraw/zinc/26/56/57/907265657.db2.gz RTBDDCTWDZRDDE-RYUDHWBXSA-N 2 2 293.371 -0.450 20 0 CBADLP C[C@@H](C[N@@H+](C)[C@H]1CCN(C)C1=O)NC(=O)Cn1cc[nH+]c1 ZINC001420673501 907265674 /nfs/dbraw/zinc/26/56/74/907265674.db2.gz RTBDDCTWDZRDDE-RYUDHWBXSA-N 2 2 293.371 -0.450 20 0 CBADLP C[C@H]([NH2+]C[C@@H](NC(=O)Cn1cc[nH+]c1)C1CC1)C(N)=O ZINC001420794674 907305166 /nfs/dbraw/zinc/30/51/66/907305166.db2.gz GKBHQIVRYZFTMR-GXSJLCMTSA-N 2 2 279.344 -0.759 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NC[C@H]1CC[NH+]1[C@@H](C)C(=O)N(C)C ZINC001420905978 907351169 /nfs/dbraw/zinc/35/11/69/907351169.db2.gz CTPCIJUIKYMAFZ-QWHCGFSZSA-N 2 2 298.431 -0.006 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NC[C@H]1CC[NH+]1[C@@H](C)C(=O)N(C)C ZINC001420905978 907351187 /nfs/dbraw/zinc/35/11/87/907351187.db2.gz CTPCIJUIKYMAFZ-QWHCGFSZSA-N 2 2 298.431 -0.006 20 0 CBADLP CC(C)[NH+](C)CC(=O)NC[C@H]1CC[N@@H+]1[C@@H](C)C(=O)N(C)C ZINC001420905978 907351204 /nfs/dbraw/zinc/35/12/04/907351204.db2.gz CTPCIJUIKYMAFZ-QWHCGFSZSA-N 2 2 298.431 -0.006 20 0 CBADLP CC(C)[NH+](C)CC(=O)NC[C@H]1CC[N@H+]1[C@@H](C)C(=O)N(C)C ZINC001420905978 907351222 /nfs/dbraw/zinc/35/12/22/907351222.db2.gz CTPCIJUIKYMAFZ-QWHCGFSZSA-N 2 2 298.431 -0.006 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H](C[N@H+](C)CCO)C1 ZINC001420925365 907360910 /nfs/dbraw/zinc/36/09/10/907360910.db2.gz AMVYQGYBPMLXKC-GFCCVEGCSA-N 2 2 280.372 -0.265 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H](C[N@@H+](C)CCO)C1 ZINC001420925365 907360928 /nfs/dbraw/zinc/36/09/28/907360928.db2.gz AMVYQGYBPMLXKC-GFCCVEGCSA-N 2 2 280.372 -0.265 20 0 CBADLP CC(C)NC(=O)C[NH2+]C1(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001420981859 907383253 /nfs/dbraw/zinc/38/32/53/907383253.db2.gz LAPISCUMQODXNL-UHFFFAOYSA-N 2 2 293.371 -0.285 20 0 CBADLP CCN(C)C(=O)C[NH2+]C1(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001420980808 907383575 /nfs/dbraw/zinc/38/35/75/907383575.db2.gz ISBHZGFSENPUMK-UHFFFAOYSA-N 2 2 293.371 -0.331 20 0 CBADLP CO[C@H](C)C[NH+]1CC(N(C)C(=O)CC[NH+]2CCOCC2)C1 ZINC001421085432 907423139 /nfs/dbraw/zinc/42/31/39/907423139.db2.gz RISSNODNRBQGRS-CYBMUJFWSA-N 2 2 299.415 -0.114 20 0 CBADLP NC(=O)C[NH2+]C[C@H](NC(=O)Cc1[nH]cc[nH+]1)C1CCCC1 ZINC001421169049 907451597 /nfs/dbraw/zinc/45/15/97/907451597.db2.gz KMMTYQYRAAQRAV-NSHDSACASA-N 2 2 293.371 -0.298 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)N[C@]1(C)CC[N@H+](CCO)C1 ZINC001421220604 907467190 /nfs/dbraw/zinc/46/71/90/907467190.db2.gz ZZBHFMXOQBHIJV-CQSZACIVSA-N 2 2 280.372 -0.074 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)N[C@]1(C)CC[N@@H+](CCO)C1 ZINC001421220604 907467194 /nfs/dbraw/zinc/46/71/94/907467194.db2.gz ZZBHFMXOQBHIJV-CQSZACIVSA-N 2 2 280.372 -0.074 20 0 CBADLP CC[C@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)[NH2+]CCO ZINC001421418451 907537011 /nfs/dbraw/zinc/53/70/11/907537011.db2.gz NAHPRYBYYFDXEX-NWDGAFQWSA-N 2 2 280.372 -0.078 20 0 CBADLP CC[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CC(=O)NC(C)C ZINC001421453790 907552223 /nfs/dbraw/zinc/55/22/23/907552223.db2.gz DVHBZOATWPJAOJ-LLVKDONJSA-N 2 2 295.387 -0.039 20 0 CBADLP COC[C@H](C)[NH+]1CC(O)(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001421457069 907555190 /nfs/dbraw/zinc/55/51/90/907555190.db2.gz MLGDCIZJYLBTER-STQMWFEESA-N 2 2 299.415 -0.332 20 0 CBADLP COC[C@H](C)[NH+]1CC(O)(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001421457069 907555206 /nfs/dbraw/zinc/55/52/06/907555206.db2.gz MLGDCIZJYLBTER-STQMWFEESA-N 2 2 299.415 -0.332 20 0 CBADLP COCCC[NH2+]C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001502082799 921336551 /nfs/dbraw/zinc/33/65/51/921336551.db2.gz MHMZYSYGBUAEDI-LBPRGKRZSA-N 2 2 296.371 -0.194 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001421652297 907604489 /nfs/dbraw/zinc/60/44/89/907604489.db2.gz XRATXUYWKSYGJV-NWDGAFQWSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@H]([NH2+]C[C@H]1CCCN1C(=O)Cc1c[nH+]cn1C)C(N)=O ZINC001421668089 907607980 /nfs/dbraw/zinc/60/79/80/907607980.db2.gz UORIXWUVTWIDMP-WDEREUQCSA-N 2 2 293.371 -0.583 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]C[C@@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001421724895 907625477 /nfs/dbraw/zinc/62/54/77/907625477.db2.gz HMQMJOWZAQMFBK-ZJUUUORDSA-N 2 2 281.360 -0.571 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]C[C@@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001421724873 907626456 /nfs/dbraw/zinc/62/64/56/907626456.db2.gz HMQMJOWZAQMFBK-NXEZZACHSA-N 2 2 281.360 -0.571 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]C[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001421724881 907627040 /nfs/dbraw/zinc/62/70/40/907627040.db2.gz HMQMJOWZAQMFBK-UWVGGRQHSA-N 2 2 281.360 -0.571 20 0 CBADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)C[NH2+]Cc1ncnn1C ZINC001421746811 907632009 /nfs/dbraw/zinc/63/20/09/907632009.db2.gz MFBDACXZCOVDOK-JTQLQIEISA-N 2 2 291.359 -0.377 20 0 CBADLP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2C[NH+](CCO)CCO2)C1 ZINC001421802206 907647367 /nfs/dbraw/zinc/64/73/67/907647367.db2.gz RCYHKOXWXMKFIC-STQMWFEESA-N 2 2 285.388 -0.863 20 0 CBADLP C[N@H+]1CC[C@@H](CC(=O)NC[C@H]2C[NH+](CCO)CCO2)C1 ZINC001421802206 907647381 /nfs/dbraw/zinc/64/73/81/907647381.db2.gz RCYHKOXWXMKFIC-STQMWFEESA-N 2 2 285.388 -0.863 20 0 CBADLP C[NH+]1CC[C@@H](CC(=O)NC[C@H]2C[N@H+](CCO)CCO2)C1 ZINC001421802206 907647392 /nfs/dbraw/zinc/64/73/92/907647392.db2.gz RCYHKOXWXMKFIC-STQMWFEESA-N 2 2 285.388 -0.863 20 0 CBADLP C[NH+]1CC[C@@H](CC(=O)NC[C@H]2C[N@@H+](CCO)CCO2)C1 ZINC001421802206 907647405 /nfs/dbraw/zinc/64/74/05/907647405.db2.gz RCYHKOXWXMKFIC-STQMWFEESA-N 2 2 285.388 -0.863 20 0 CBADLP O=C(C[NH+]1CCCC1)NC[C@H]1CCC2(C[NH+](CCO)C2)O1 ZINC001421917369 907678575 /nfs/dbraw/zinc/67/85/75/907678575.db2.gz PFNOERFQYQRIGU-CYBMUJFWSA-N 2 2 297.399 -0.576 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001421960033 907689312 /nfs/dbraw/zinc/68/93/12/907689312.db2.gz NEQCEDSJOYXNHS-NXEZZACHSA-N 2 2 281.360 -0.477 20 0 CBADLP COC[C@@H](O)C[NH2+]C[C@@H](C)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001421961389 907691301 /nfs/dbraw/zinc/69/13/01/907691301.db2.gz RIKAKWIGENGAID-PWSUYJOCSA-N 2 2 284.360 -0.604 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CCC[C@](CO)([NH2+]CCF)C1 ZINC001421982895 907698966 /nfs/dbraw/zinc/69/89/66/907698966.db2.gz HHEUBRIJFUNVOM-ZDUSSCGKSA-N 2 2 284.335 -0.204 20 0 CBADLP C[C@H](C[NH2+][C@H]1CCNC1=O)N(C)C(=O)Cc1c[nH+]cn1C ZINC001421999598 907703336 /nfs/dbraw/zinc/70/33/36/907703336.db2.gz WICCBQNQLHEVIE-PWSUYJOCSA-N 2 2 293.371 -0.712 20 0 CBADLP C[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)[C@@H]1C[NH2+]CC(N)=O ZINC001422056101 907709474 /nfs/dbraw/zinc/70/94/74/907709474.db2.gz KCCDZVVOBCWWMN-ZYHUDNBSSA-N 2 2 293.371 -0.346 20 0 CBADLP CCNC(=O)C[NH2+][C@@H](CNC(=O)Cc1[nH]cc[nH+]1)C(C)C ZINC001422142650 907724064 /nfs/dbraw/zinc/72/40/64/907724064.db2.gz XZBKONJCWYCYSX-NSHDSACASA-N 2 2 295.387 -0.181 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(Cc2nn[nH]n2)CC1 ZINC001422199502 907741683 /nfs/dbraw/zinc/74/16/83/907741683.db2.gz ZBYVEWDIZBWBNU-LBPRGKRZSA-N 2 2 282.392 -0.233 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(Cc2nn[nH]n2)CC1 ZINC001422199502 907741692 /nfs/dbraw/zinc/74/16/92/907741692.db2.gz ZBYVEWDIZBWBNU-LBPRGKRZSA-N 2 2 282.392 -0.233 20 0 CBADLP COC[C@H](O)C[N@H+](C)CCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001422211923 907747580 /nfs/dbraw/zinc/74/75/80/907747580.db2.gz FZXIRGURPQMAER-LLVKDONJSA-N 2 2 284.360 -0.650 20 0 CBADLP COC[C@H](O)C[N@@H+](C)CCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001422211923 907747587 /nfs/dbraw/zinc/74/75/87/907747587.db2.gz FZXIRGURPQMAER-LLVKDONJSA-N 2 2 284.360 -0.650 20 0 CBADLP Cc1[nH+]ccn1CCCC(=O)N(C)CC[N@H+](C)CC(N)=O ZINC001422203855 907747905 /nfs/dbraw/zinc/74/79/05/907747905.db2.gz BKMFAUVRFFOFKS-UHFFFAOYSA-N 2 2 295.387 -0.153 20 0 CBADLP Cc1[nH+]ccn1CCCC(=O)N(C)CC[N@@H+](C)CC(N)=O ZINC001422203855 907747908 /nfs/dbraw/zinc/74/79/08/907747908.db2.gz BKMFAUVRFFOFKS-UHFFFAOYSA-N 2 2 295.387 -0.153 20 0 CBADLP CNC(=O)C[NH2+]CC1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC001422288941 907782742 /nfs/dbraw/zinc/78/27/42/907782742.db2.gz MJXWGQPWXAHGEY-UHFFFAOYSA-N 2 2 279.344 -0.887 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)NC[C@@H](O)C[NH2+]C[C@@H]1CCOC1 ZINC001422309966 907793836 /nfs/dbraw/zinc/79/38/36/907793836.db2.gz APSMSHALHULAPW-AAEUAGOBSA-N 2 2 296.371 -0.555 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)NC[C@@H](O)C[NH2+]C[C@@H]1CCOC1 ZINC001422309966 907793852 /nfs/dbraw/zinc/79/38/52/907793852.db2.gz APSMSHALHULAPW-AAEUAGOBSA-N 2 2 296.371 -0.555 20 0 CBADLP CCNC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001422329509 907803554 /nfs/dbraw/zinc/80/35/54/907803554.db2.gz QXTBVUTWYSTOSP-GHMZBOCLSA-N 2 2 295.387 -0.039 20 0 CBADLP CCNC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001422329509 907803568 /nfs/dbraw/zinc/80/35/68/907803568.db2.gz QXTBVUTWYSTOSP-GHMZBOCLSA-N 2 2 295.387 -0.039 20 0 CBADLP CC[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1ncc(C)o1)[NH+](C)C ZINC001422366579 907828000 /nfs/dbraw/zinc/82/80/00/907828000.db2.gz ZXGHTWQNJONMHT-NEPJUHHUSA-N 2 2 298.387 -0.110 20 0 CBADLP C[C@@H]([NH2+]CC[C@H](C)NC(=O)Cc1c[nH]c[nH+]1)C(=O)N(C)C ZINC001422435939 907859819 /nfs/dbraw/zinc/85/98/19/907859819.db2.gz YLHDOODRLVGWTM-WDEREUQCSA-N 2 2 295.387 -0.087 20 0 CBADLP CC[C@H]([NH2+]CCN(CC)C(=O)Cn1cc[nH+]c1)C(N)=O ZINC001422450354 907864772 /nfs/dbraw/zinc/86/47/72/907864772.db2.gz MEUIRTDZAYXNSF-NSHDSACASA-N 2 2 281.360 -0.415 20 0 CBADLP CCN(CC[NH2+][C@@H](C)C(=O)NC)C(=O)Cc1c[nH+]cn1C ZINC001422456785 907865970 /nfs/dbraw/zinc/86/59/70/907865970.db2.gz ZYAHYFNUDDAYQS-NSHDSACASA-N 2 2 295.387 -0.465 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+](C)[C@@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001422542070 907912896 /nfs/dbraw/zinc/91/28/96/907912896.db2.gz VWFBJQYVZHSYPW-NWDGAFQWSA-N 2 2 295.387 -0.156 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001422542070 907912911 /nfs/dbraw/zinc/91/29/11/907912911.db2.gz VWFBJQYVZHSYPW-NWDGAFQWSA-N 2 2 295.387 -0.156 20 0 CBADLP COC[C@H](C)[NH+]1CC(CCO)(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001422649274 907966796 /nfs/dbraw/zinc/96/67/96/907966796.db2.gz YLERQRVZTXKGDZ-QWHCGFSZSA-N 2 2 299.415 -0.474 20 0 CBADLP COC[C@H](C)[NH+]1CC(CCO)(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001422649274 907966804 /nfs/dbraw/zinc/96/68/04/907966804.db2.gz YLERQRVZTXKGDZ-QWHCGFSZSA-N 2 2 299.415 -0.474 20 0 CBADLP COC[C@@H](O)C[NH2+]C[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001422741368 907990179 /nfs/dbraw/zinc/99/01/79/907990179.db2.gz AMYVQRFRKFVXHX-ONGXEEELSA-N 2 2 284.360 -0.638 20 0 CBADLP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](CC(N)=O)CC2(C)C)CC1 ZINC001422781566 908002365 /nfs/dbraw/zinc/00/23/65/908002365.db2.gz BOBJNJJPCIEUKO-LLVKDONJSA-N 2 2 296.415 -0.360 20 0 CBADLP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](CC(N)=O)CC2(C)C)CC1 ZINC001422781566 908002383 /nfs/dbraw/zinc/00/23/83/908002383.db2.gz BOBJNJJPCIEUKO-LLVKDONJSA-N 2 2 296.415 -0.360 20 0 CBADLP CC[NH2+][C@@]1(CO)CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001502603559 921373600 /nfs/dbraw/zinc/37/36/00/921373600.db2.gz JOGGDKTWNCFPRJ-ZDUSSCGKSA-N 2 2 266.345 -0.154 20 0 CBADLP O=C(CCCn1cc[nH+]c1)NC[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001422869751 908039392 /nfs/dbraw/zinc/03/93/92/908039392.db2.gz XWQQVKMQFPHMGA-ZSOGYDGISA-N 2 2 292.383 -0.050 20 0 CBADLP O=C(CCCn1cc[nH+]c1)NC[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001422869751 908039409 /nfs/dbraw/zinc/03/94/09/908039409.db2.gz XWQQVKMQFPHMGA-ZSOGYDGISA-N 2 2 292.383 -0.050 20 0 CBADLP CC(C)c1[nH+]ccn1CC(=O)N[C@H](C)C[N@H+](C)CC(N)=O ZINC001422875678 908043050 /nfs/dbraw/zinc/04/30/50/908043050.db2.gz BPRLYRZFZXHBSC-LLVKDONJSA-N 2 2 295.387 -0.072 20 0 CBADLP CC(C)c1[nH+]ccn1CC(=O)N[C@H](C)C[N@@H+](C)CC(N)=O ZINC001422875678 908043063 /nfs/dbraw/zinc/04/30/63/908043063.db2.gz BPRLYRZFZXHBSC-LLVKDONJSA-N 2 2 295.387 -0.072 20 0 CBADLP CC(C)[C@@H](CCNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@H](C)C(N)=O ZINC001422956236 908061664 /nfs/dbraw/zinc/06/16/64/908061664.db2.gz GRBBGWYIZFTNRA-GHMZBOCLSA-N 2 2 295.387 -0.054 20 0 CBADLP C[C@H](CN(C)C(=O)CCn1cc[nH+]c1)[NH2+][C@@H](C)C(N)=O ZINC001423098382 908107165 /nfs/dbraw/zinc/10/71/65/908107165.db2.gz LEQJGEQNIIWZCQ-MNOVXSKESA-N 2 2 281.360 -0.417 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NC[C@H]1CC[NH+]1[C@H]1CCNC1=O ZINC001423170183 908124261 /nfs/dbraw/zinc/12/42/61/908124261.db2.gz ASMQESXXFRMDIF-NEPJUHHUSA-N 2 2 282.388 -0.594 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NC[C@H]1CC[NH+]1[C@H]1CCNC1=O ZINC001423170183 908124277 /nfs/dbraw/zinc/12/42/77/908124277.db2.gz ASMQESXXFRMDIF-NEPJUHHUSA-N 2 2 282.388 -0.594 20 0 CBADLP CC(C)[NH+](C)CC(=O)NC[C@H]1CC[N@@H+]1[C@H]1CCNC1=O ZINC001423170183 908124288 /nfs/dbraw/zinc/12/42/88/908124288.db2.gz ASMQESXXFRMDIF-NEPJUHHUSA-N 2 2 282.388 -0.594 20 0 CBADLP CC(C)[NH+](C)CC(=O)NC[C@H]1CC[N@H+]1[C@H]1CCNC1=O ZINC001423170183 908124296 /nfs/dbraw/zinc/12/42/96/908124296.db2.gz ASMQESXXFRMDIF-NEPJUHHUSA-N 2 2 282.388 -0.594 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CC[NH+]1[C@@H]1CCNC1=O ZINC001423170184 908125384 /nfs/dbraw/zinc/12/53/84/908125384.db2.gz ASMQESXXFRMDIF-NWDGAFQWSA-N 2 2 282.388 -0.594 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CC[NH+]1[C@@H]1CCNC1=O ZINC001423170184 908125392 /nfs/dbraw/zinc/12/53/92/908125392.db2.gz ASMQESXXFRMDIF-NWDGAFQWSA-N 2 2 282.388 -0.594 20 0 CBADLP CC(C)[NH+](C)CC(=O)NC[C@@H]1CC[N@@H+]1[C@@H]1CCNC1=O ZINC001423170184 908125399 /nfs/dbraw/zinc/12/53/99/908125399.db2.gz ASMQESXXFRMDIF-NWDGAFQWSA-N 2 2 282.388 -0.594 20 0 CBADLP CC(C)[NH+](C)CC(=O)NC[C@@H]1CC[N@H+]1[C@@H]1CCNC1=O ZINC001423170184 908125410 /nfs/dbraw/zinc/12/54/10/908125410.db2.gz ASMQESXXFRMDIF-NWDGAFQWSA-N 2 2 282.388 -0.594 20 0 CBADLP C[C@@H](CC(=O)NCC1([NH2+]CC(N)=O)CC1)n1cc[nH+]c1 ZINC001423274931 908185021 /nfs/dbraw/zinc/18/50/21/908185021.db2.gz UWUBJCSXPJQPBD-JTQLQIEISA-N 2 2 279.344 -0.442 20 0 CBADLP C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH2+]CCCO ZINC001502747430 921387345 /nfs/dbraw/zinc/38/73/45/921387345.db2.gz CFHGBTIJEAESLL-WDEREUQCSA-N 2 2 266.345 -0.229 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](CO)[NH2+]C[C@H]1CCOC1 ZINC001423288974 908190877 /nfs/dbraw/zinc/19/08/77/908190877.db2.gz OVCYLLBATXKEQQ-VXGBXAGGSA-N 2 2 296.371 -0.636 20 0 CBADLP CCNC(=O)C[NH2+][C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC001502747892 921388437 /nfs/dbraw/zinc/38/84/37/921388437.db2.gz KOOIGLMBDPCOID-QWRGUYRKSA-N 2 2 293.371 -0.475 20 0 CBADLP C[C@H](F)CC[NH2+][C@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001423308473 908197855 /nfs/dbraw/zinc/19/78/55/908197855.db2.gz JGZUZPZAUASDKS-QWRGUYRKSA-N 2 2 272.324 -0.302 20 0 CBADLP COCC[NH+]1CC(N(C)C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001423437199 908233858 /nfs/dbraw/zinc/23/38/58/908233858.db2.gz OFQHNOSORIBSBR-ZDUSSCGKSA-N 2 2 299.415 -0.256 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N(C)C1C[NH+](CCn2cncn2)C1 ZINC001423446199 908240501 /nfs/dbraw/zinc/24/05/01/908240501.db2.gz HPADKWZOOIPDCO-UHFFFAOYSA-N 2 2 294.403 -0.239 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N(C)C1C[NH+](CCn2cncn2)C1 ZINC001423446199 908240518 /nfs/dbraw/zinc/24/05/18/908240518.db2.gz HPADKWZOOIPDCO-UHFFFAOYSA-N 2 2 294.403 -0.239 20 0 CBADLP CN(C[C@H](O)C[N@H+](C)CCF)C(=O)Cc1c[nH+]c[nH]1 ZINC001423530092 908271747 /nfs/dbraw/zinc/27/17/47/908271747.db2.gz ACWOJPXGICZRGO-LLVKDONJSA-N 2 2 272.324 -0.327 20 0 CBADLP CN(C[C@H](O)C[N@@H+](C)CCF)C(=O)Cc1c[nH+]c[nH]1 ZINC001423530092 908271757 /nfs/dbraw/zinc/27/17/57/908271757.db2.gz ACWOJPXGICZRGO-LLVKDONJSA-N 2 2 272.324 -0.327 20 0 CBADLP COC[C@@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001423541579 908273965 /nfs/dbraw/zinc/27/39/65/908273965.db2.gz IFHGTEVXEQLAJP-CHWSQXEVSA-N 2 2 298.387 -0.331 20 0 CBADLP COC[C@@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001423541579 908273978 /nfs/dbraw/zinc/27/39/78/908273978.db2.gz IFHGTEVXEQLAJP-CHWSQXEVSA-N 2 2 298.387 -0.331 20 0 CBADLP CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)N1CC[NH+](C)CC1 ZINC001423549974 908280823 /nfs/dbraw/zinc/28/08/23/908280823.db2.gz RHMNFASVWFWUQR-GFCCVEGCSA-N 2 2 290.433 -0.448 20 0 CBADLP CC[N@H+]1CCC[C@@H]1CNS(=O)(=O)N1CC[NH+](C)CC1 ZINC001423549974 908280834 /nfs/dbraw/zinc/28/08/34/908280834.db2.gz RHMNFASVWFWUQR-GFCCVEGCSA-N 2 2 290.433 -0.448 20 0 CBADLP Cn1cc(C[N@@H+]2CC[C@@](C)(NC(=O)CC[NH+](C)C)C2)nn1 ZINC001423588161 908292101 /nfs/dbraw/zinc/29/21/01/908292101.db2.gz RKCLVZXUGVNXSK-CQSZACIVSA-N 2 2 294.403 -0.153 20 0 CBADLP Cn1cc(C[N@H+]2CC[C@@](C)(NC(=O)CC[NH+](C)C)C2)nn1 ZINC001423588161 908292115 /nfs/dbraw/zinc/29/21/15/908292115.db2.gz RKCLVZXUGVNXSK-CQSZACIVSA-N 2 2 294.403 -0.153 20 0 CBADLP CN(C(=O)CCc1[nH+]ccn1C)C1CC([NH2+]CC(N)=O)C1 ZINC001423683278 908304622 /nfs/dbraw/zinc/30/46/22/908304622.db2.gz LQDMHVXOFVEDEF-UHFFFAOYSA-N 2 2 293.371 -0.583 20 0 CBADLP O=C(CCn1cc[nH+]c1)NC[C@]1(O)CC[N@H+](CCF)C1 ZINC001423778808 908328372 /nfs/dbraw/zinc/32/83/72/908328372.db2.gz NAUNHFPXAPWFFI-CYBMUJFWSA-N 2 2 284.335 -0.204 20 0 CBADLP O=C(CCn1cc[nH+]c1)NC[C@]1(O)CC[N@@H+](CCF)C1 ZINC001423778808 908328383 /nfs/dbraw/zinc/32/83/83/908328383.db2.gz NAUNHFPXAPWFFI-CYBMUJFWSA-N 2 2 284.335 -0.204 20 0 CBADLP C[C@H](O)CCC[NH+]1CC(O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001423829943 908349928 /nfs/dbraw/zinc/34/99/28/908349928.db2.gz QHBLXCYBDAQYRS-QWHCGFSZSA-N 2 2 299.415 -0.596 20 0 CBADLP C[C@H](O)CCC[NH+]1CC(O)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001423829943 908349950 /nfs/dbraw/zinc/34/99/50/908349950.db2.gz QHBLXCYBDAQYRS-QWHCGFSZSA-N 2 2 299.415 -0.596 20 0 CBADLP COC[C@H](C)[NH+]1CC(O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001423884563 908364116 /nfs/dbraw/zinc/36/41/16/908364116.db2.gz QONYZDXXVBWOLP-LBPRGKRZSA-N 2 2 287.404 -0.474 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CCO[C@@H](C[NH2+]C[C@@H](C)O)C1 ZINC001424233647 908430412 /nfs/dbraw/zinc/43/04/12/908430412.db2.gz ADEOCRDIBVBWCU-PWSUYJOCSA-N 2 2 296.371 -0.542 20 0 CBADLP CC(C)[C@@H](C(=O)N[C@H]1COC2(C[NH+](CCO)C2)C1)[NH+](C)C ZINC001424371623 908450971 /nfs/dbraw/zinc/45/09/71/908450971.db2.gz XUZXDUFZAVUVCB-OLZOCXBDSA-N 2 2 299.415 -0.476 20 0 CBADLP C[C@H](O)C[NH2+]CC1(O)CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001424551095 908470305 /nfs/dbraw/zinc/47/03/05/908470305.db2.gz PSFVHIMBWINBKZ-NSHDSACASA-N 2 2 296.371 -0.724 20 0 CBADLP C[C@@H]([NH2+]CC1CC(NC(=O)Cc2c[nH+]cn2C)C1)C(N)=O ZINC001424750463 908497736 /nfs/dbraw/zinc/49/77/36/908497736.db2.gz KSTUJKWHJRNFGC-KPPDAEKUSA-N 2 2 293.371 -0.679 20 0 CBADLP C[C@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)[N@H+](C)CCO ZINC001424971596 908540440 /nfs/dbraw/zinc/54/04/40/908540440.db2.gz MUZZQIQNUJYICC-NEPJUHHUSA-N 2 2 280.372 -0.126 20 0 CBADLP C[C@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)[N@@H+](C)CCO ZINC001424971596 908540452 /nfs/dbraw/zinc/54/04/52/908540452.db2.gz MUZZQIQNUJYICC-NEPJUHHUSA-N 2 2 280.372 -0.126 20 0 CBADLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)[N@H+](C)[C@@H](C)C(N)=O ZINC001425051349 908561587 /nfs/dbraw/zinc/56/15/87/908561587.db2.gz DMWPXJQUUKKTAW-UWVGGRQHSA-N 2 2 281.360 -0.727 20 0 CBADLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)[N@@H+](C)[C@@H](C)C(N)=O ZINC001425051349 908561595 /nfs/dbraw/zinc/56/15/95/908561595.db2.gz DMWPXJQUUKKTAW-UWVGGRQHSA-N 2 2 281.360 -0.727 20 0 CBADLP CCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)CC[N@H+](C)CC)C1 ZINC001425244124 908592893 /nfs/dbraw/zinc/59/28/93/908592893.db2.gz GSECRZGBYLQACS-GFCCVEGCSA-N 2 2 298.431 -0.099 20 0 CBADLP CCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)CC[N@@H+](C)CC)C1 ZINC001425244124 908592899 /nfs/dbraw/zinc/59/28/99/908592899.db2.gz GSECRZGBYLQACS-GFCCVEGCSA-N 2 2 298.431 -0.099 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N2CCCC[C@H]2C[NH2+]CCO)C1 ZINC001505403432 921422631 /nfs/dbraw/zinc/42/26/31/921422631.db2.gz HGEHYEBWYCHFAX-STQMWFEESA-N 2 2 285.388 -0.720 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N2CCCC[C@H]2C[NH2+]CCO)C1 ZINC001505403432 921422637 /nfs/dbraw/zinc/42/26/37/921422637.db2.gz HGEHYEBWYCHFAX-STQMWFEESA-N 2 2 285.388 -0.720 20 0 CBADLP C[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1)C(N)=O ZINC001425392121 908636768 /nfs/dbraw/zinc/63/67/68/908636768.db2.gz IGVZNNZLNMSLCK-NHCYSSNCSA-N 2 2 293.371 -0.300 20 0 CBADLP C[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1)C(N)=O ZINC001425392121 908636777 /nfs/dbraw/zinc/63/67/77/908636777.db2.gz IGVZNNZLNMSLCK-NHCYSSNCSA-N 2 2 293.371 -0.300 20 0 CBADLP C[C@H]([NH2+]C[C@H](C1CC1)N(C)C(=O)Cn1cc[nH+]c1)C(N)=O ZINC001425509938 908663456 /nfs/dbraw/zinc/66/34/56/908663456.db2.gz NQEKDWODOHXTOR-CMPLNLGQSA-N 2 2 293.371 -0.417 20 0 CBADLP C[C@@H]([NH2+]C[C@H](C1CC1)N(C)C(=O)Cn1cc[nH+]c1)C(N)=O ZINC001425509950 908663810 /nfs/dbraw/zinc/66/38/10/908663810.db2.gz NQEKDWODOHXTOR-ZYHUDNBSSA-N 2 2 293.371 -0.417 20 0 CBADLP CC[C@H]([NH2+][C@@H](C)CN(C)C(=O)CCn1cc[nH+]c1)C(N)=O ZINC001425618211 908684132 /nfs/dbraw/zinc/68/41/32/908684132.db2.gz LHGGDGJISGLZQR-RYUDHWBXSA-N 2 2 295.387 -0.026 20 0 CBADLP C[C@@H](CN(C)C(=O)Cc1[nH]cc[nH+]1)[NH2+][C@H]1CCCNC1=O ZINC001425654803 908687348 /nfs/dbraw/zinc/68/73/48/908687348.db2.gz AKEWFUTVIVSTGU-QWRGUYRKSA-N 2 2 293.371 -0.333 20 0 CBADLP COC[C@@H](O)C[NH2+][C@@H](C)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001425674202 908690106 /nfs/dbraw/zinc/69/01/06/908690106.db2.gz TWWUYFOVIVIQDE-QWRGUYRKSA-N 2 2 284.360 -0.604 20 0 CBADLP CC(C)NC(=O)C[NH2+][C@@H](C)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001425665872 908690524 /nfs/dbraw/zinc/69/05/24/908690524.db2.gz LFXPAELXVNSVFQ-NSHDSACASA-N 2 2 295.387 -0.087 20 0 CBADLP O=C(NC[C@@H](CO)[NH2+]CC1CC1)[C@H]1CCc2[nH+]ccn2C1 ZINC001425785545 908737977 /nfs/dbraw/zinc/73/79/77/908737977.db2.gz MYTOVCXHAYSOPH-STQMWFEESA-N 2 2 292.383 -0.078 20 0 CBADLP O=C(NC[C@H](CO)[NH2+]CC1CC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001425785532 908738570 /nfs/dbraw/zinc/73/85/70/908738570.db2.gz MYTOVCXHAYSOPH-CHWSQXEVSA-N 2 2 292.383 -0.078 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NC[C@H](CO)[NH2+]Cc1ccn(C)n1 ZINC001425843664 908762683 /nfs/dbraw/zinc/76/26/83/908762683.db2.gz SWSZJCMIYQVNBZ-CYBMUJFWSA-N 2 2 297.403 -0.673 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NC[C@H](CO)[NH2+]Cc1ccn(C)n1 ZINC001425843664 908762691 /nfs/dbraw/zinc/76/26/91/908762691.db2.gz SWSZJCMIYQVNBZ-CYBMUJFWSA-N 2 2 297.403 -0.673 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)NC[C@H](CO)[NH2+]CCF ZINC001425846082 908763599 /nfs/dbraw/zinc/76/35/99/908763599.db2.gz BNSFTTCARFYEPG-SNVBAGLBSA-N 2 2 272.324 -0.611 20 0 CBADLP CO[C@H](C)C[NH2+]C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001426061297 908812931 /nfs/dbraw/zinc/81/29/31/908812931.db2.gz WKXINVWUQYZMBI-VXGBXAGGSA-N 2 2 284.360 -0.673 20 0 CBADLP CNC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001505661659 921461667 /nfs/dbraw/zinc/46/16/67/921461667.db2.gz YDXLFQMDJHBQFK-MNOVXSKESA-N 2 2 295.387 -0.419 20 0 CBADLP C[C@@H]([NH2+]CC(=O)N(C)C)[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001505699377 921467245 /nfs/dbraw/zinc/46/72/45/921467245.db2.gz WPKRHQFPLANVJU-ZJUUUORDSA-N 2 2 281.360 -0.477 20 0 CBADLP C[NH+](C)CCC(=O)N[C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001428314242 909119672 /nfs/dbraw/zinc/11/96/72/909119672.db2.gz OMWOBXWFGXGSTP-TXEJJXNPSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@H](CNC(=O)C[NH+]1CCCC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001428631908 909152669 /nfs/dbraw/zinc/15/26/69/909152669.db2.gz QYPYTSCESWMODR-LLVKDONJSA-N 2 2 293.371 -0.331 20 0 CBADLP CC[NH+](CC)CC(=O)NCCN(C)C(=O)Cn1cc[nH+]c1 ZINC001429264276 909223410 /nfs/dbraw/zinc/22/34/10/909223410.db2.gz DYZNUUQXJPOMLQ-UHFFFAOYSA-N 2 2 295.387 -0.201 20 0 CBADLP CC[C@H](CNC(=O)Cn1cc[nH+]c1)NC(=O)CC[NH+](C)C ZINC001432733915 909651931 /nfs/dbraw/zinc/65/19/31/909651931.db2.gz KWAYMZOIDHZJAJ-GFCCVEGCSA-N 2 2 295.387 -0.154 20 0 CBADLP CCC[N@H+](C)CC(=O)NC[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001433445775 909735062 /nfs/dbraw/zinc/73/50/62/909735062.db2.gz FJOXXFGBRYIZRP-GFCCVEGCSA-N 2 2 295.387 -0.154 20 0 CBADLP CCC[N@@H+](C)CC(=O)NC[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001433445775 909735070 /nfs/dbraw/zinc/73/50/70/909735070.db2.gz FJOXXFGBRYIZRP-GFCCVEGCSA-N 2 2 295.387 -0.154 20 0 CBADLP C[C@@H](O)C[NH+]1CC(CCO)(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001506125586 921550507 /nfs/dbraw/zinc/55/05/07/921550507.db2.gz WHIBVILGKTZDGI-CHWSQXEVSA-N 2 2 299.415 -0.738 20 0 CBADLP C[C@@H](O)C[NH+]1CC(CCO)(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001506125586 921550515 /nfs/dbraw/zinc/55/05/15/921550515.db2.gz WHIBVILGKTZDGI-CHWSQXEVSA-N 2 2 299.415 -0.738 20 0 CBADLP CC[C@@H](C[NH+]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1)OC ZINC001434854811 910393087 /nfs/dbraw/zinc/39/30/87/910393087.db2.gz VFASXYUJBUVONH-UONOGXRCSA-N 2 2 299.415 -0.114 20 0 CBADLP CC[C@@H](C[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1)OC ZINC001434854811 910393099 /nfs/dbraw/zinc/39/30/99/910393099.db2.gz VFASXYUJBUVONH-UONOGXRCSA-N 2 2 299.415 -0.114 20 0 CBADLP CCC[N@H+](C)CC(=O)N(C)C[C@H]1CC[NH+]1CC(=O)NC ZINC001436331604 910427076 /nfs/dbraw/zinc/42/70/76/910427076.db2.gz SMXFZUKAYDOOEE-GFCCVEGCSA-N 2 2 284.404 -0.393 20 0 CBADLP CCC[N@@H+](C)CC(=O)N(C)C[C@H]1CC[NH+]1CC(=O)NC ZINC001436331604 910427083 /nfs/dbraw/zinc/42/70/83/910427083.db2.gz SMXFZUKAYDOOEE-GFCCVEGCSA-N 2 2 284.404 -0.393 20 0 CBADLP CCC[NH+](C)CC(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)NC ZINC001436331604 910427097 /nfs/dbraw/zinc/42/70/97/910427097.db2.gz SMXFZUKAYDOOEE-GFCCVEGCSA-N 2 2 284.404 -0.393 20 0 CBADLP CCC[NH+](C)CC(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)NC ZINC001436331604 910427110 /nfs/dbraw/zinc/42/71/10/910427110.db2.gz SMXFZUKAYDOOEE-GFCCVEGCSA-N 2 2 284.404 -0.393 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001436390375 910437088 /nfs/dbraw/zinc/43/70/88/910437088.db2.gz HVXAPQGHTDBAGI-DCAQKATOSA-N 2 2 293.371 -0.429 20 0 CBADLP CCN(C)C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001436970925 910523072 /nfs/dbraw/zinc/52/30/72/910523072.db2.gz LCAJGYIBAOQPFJ-PHIMTYICSA-N 2 2 293.371 -0.333 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC[C@@H]1CCC[N@H+](CCO)C1 ZINC001437004252 910527719 /nfs/dbraw/zinc/52/77/19/910527719.db2.gz GMNFMHRNJXIJTK-LBPRGKRZSA-N 2 2 280.372 -0.217 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC[C@@H]1CCC[N@@H+](CCO)C1 ZINC001437004252 910527731 /nfs/dbraw/zinc/52/77/31/910527731.db2.gz GMNFMHRNJXIJTK-LBPRGKRZSA-N 2 2 280.372 -0.217 20 0 CBADLP CC[C@H](C(=O)NC[C@H](C)[NH2+]CCS(C)(=O)=O)[NH+](C)C ZINC001437174281 910573841 /nfs/dbraw/zinc/57/38/41/910573841.db2.gz QPWMDHZNWBFPJF-WDEREUQCSA-N 2 2 293.433 -0.535 20 0 CBADLP C[C@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]CC(=O)N1CCC1 ZINC001437193334 910582505 /nfs/dbraw/zinc/58/25/05/910582505.db2.gz VFGXIVJSVMEMGN-GFCCVEGCSA-N 2 2 293.371 -0.400 20 0 CBADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@H]1CCCN(C)C1=O ZINC001437203134 910586238 /nfs/dbraw/zinc/58/62/38/910586238.db2.gz NKUAMKBFRBFCSF-JQWIXIFHSA-N 2 2 293.371 -0.333 20 0 CBADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CC(=O)NC(C)(C)C ZINC001437205824 910586893 /nfs/dbraw/zinc/58/68/93/910586893.db2.gz CYORGHCUNCFNTO-JTQLQIEISA-N 2 2 295.387 -0.039 20 0 CBADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CC(=O)NC1CC1 ZINC001437207109 910589033 /nfs/dbraw/zinc/58/90/33/910589033.db2.gz VSRWWPRHUCXTTB-VIFPVBQESA-N 2 2 279.344 -0.675 20 0 CBADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CCN1CCNC1=O ZINC001437222854 910591858 /nfs/dbraw/zinc/59/18/58/910591858.db2.gz POWUIKAVKTZCNZ-SNVBAGLBSA-N 2 2 294.359 -0.928 20 0 CBADLP CCCNC(=O)C[NH2+][C@@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001437233660 910595428 /nfs/dbraw/zinc/59/54/28/910595428.db2.gz DXAKJUVEUAYNMT-NSHDSACASA-N 2 2 295.387 -0.417 20 0 CBADLP COC[C@H](O)C[NH2+][C@@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001437235256 910595575 /nfs/dbraw/zinc/59/55/75/910595575.db2.gz JUZYAHFNTWDPAS-CMPLNLGQSA-N 2 2 284.360 -0.936 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)[NH2+]CC(=O)NC1CC1 ZINC001437252289 910598067 /nfs/dbraw/zinc/59/80/67/910598067.db2.gz RCUVOVNZYWUZDV-SECBINFHSA-N 2 2 293.371 -0.366 20 0 CBADLP COC[C@H](O)C[NH2+][C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001437235298 910598413 /nfs/dbraw/zinc/59/84/13/910598413.db2.gz JUZYAHFNTWDPAS-ZYHUDNBSSA-N 2 2 284.360 -0.936 20 0 CBADLP CC(C)(C(=O)N1CC[C@@H](C[NH2+]CC(N)=O)C1)c1c[nH+]c[nH]1 ZINC001437317923 910612181 /nfs/dbraw/zinc/61/21/81/910612181.db2.gz TZBKLYYDTFGWEO-JTQLQIEISA-N 2 2 293.371 -0.389 20 0 CBADLP C[C@H](CCNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CC(=O)N1CCC1 ZINC001437412364 910632009 /nfs/dbraw/zinc/63/20/09/910632009.db2.gz YTRARNSXWXJBOT-LLVKDONJSA-N 2 2 293.371 -0.331 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@H](C)CCNC(=O)Cn1cc[nH+]c1 ZINC001437428944 910636194 /nfs/dbraw/zinc/63/61/94/910636194.db2.gz PJYABXUMHRKITD-GHMZBOCLSA-N 2 2 281.360 -0.498 20 0 CBADLP C[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)CC(=O)N1CCC1 ZINC001437484598 910661493 /nfs/dbraw/zinc/66/14/93/910661493.db2.gz SHWVGUIKODGQPX-ZDUSSCGKSA-N 2 2 296.415 -0.249 20 0 CBADLP C[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)CC(=O)N1CCC1 ZINC001437484598 910661500 /nfs/dbraw/zinc/66/15/00/910661500.db2.gz SHWVGUIKODGQPX-ZDUSSCGKSA-N 2 2 296.415 -0.249 20 0 CBADLP C[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)CC(=O)N1CCC1 ZINC001437484598 910661505 /nfs/dbraw/zinc/66/15/05/910661505.db2.gz SHWVGUIKODGQPX-ZDUSSCGKSA-N 2 2 296.415 -0.249 20 0 CBADLP C[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1C)CC(=O)N1CCC1 ZINC001437484598 910661511 /nfs/dbraw/zinc/66/15/11/910661511.db2.gz SHWVGUIKODGQPX-ZDUSSCGKSA-N 2 2 296.415 -0.249 20 0 CBADLP CCN(CC)C(=O)C[N@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001437513494 910671995 /nfs/dbraw/zinc/67/19/95/910671995.db2.gz WVKSEUDIJUZQIX-CYBMUJFWSA-N 2 2 298.431 -0.003 20 0 CBADLP CCN(CC)C(=O)C[N@@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001437513494 910672008 /nfs/dbraw/zinc/67/20/08/910672008.db2.gz WVKSEUDIJUZQIX-CYBMUJFWSA-N 2 2 298.431 -0.003 20 0 CBADLP CCN(CC)C(=O)C[NH+](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001437513494 910672023 /nfs/dbraw/zinc/67/20/23/910672023.db2.gz WVKSEUDIJUZQIX-CYBMUJFWSA-N 2 2 298.431 -0.003 20 0 CBADLP CCN(CC)C(=O)C[NH+](C)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001437513494 910672047 /nfs/dbraw/zinc/67/20/47/910672047.db2.gz WVKSEUDIJUZQIX-CYBMUJFWSA-N 2 2 298.431 -0.003 20 0 CBADLP CC[C@H](C(N)=O)[N@H+](C)CCNC(=O)Cc1c[nH+]cn1C ZINC001437540080 910677551 /nfs/dbraw/zinc/67/75/51/910677551.db2.gz ACTMZSRCRRYPGF-LLVKDONJSA-N 2 2 281.360 -0.726 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+](C)CCNC(=O)Cc1c[nH+]cn1C ZINC001437540080 910677558 /nfs/dbraw/zinc/67/75/58/910677558.db2.gz ACTMZSRCRRYPGF-LLVKDONJSA-N 2 2 281.360 -0.726 20 0 CBADLP CN(C)C(=O)C[N@H+](C)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001437541612 910682912 /nfs/dbraw/zinc/68/29/12/910682912.db2.gz OYBXUSZOKNUMEL-LBPRGKRZSA-N 2 2 284.404 -0.536 20 0 CBADLP CN(C)C(=O)C[N@@H+](C)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001437541612 910682915 /nfs/dbraw/zinc/68/29/15/910682915.db2.gz OYBXUSZOKNUMEL-LBPRGKRZSA-N 2 2 284.404 -0.536 20 0 CBADLP CN(C)C(=O)C[NH+](C)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001437541612 910682918 /nfs/dbraw/zinc/68/29/18/910682918.db2.gz OYBXUSZOKNUMEL-LBPRGKRZSA-N 2 2 284.404 -0.536 20 0 CBADLP CN(C)C(=O)C[NH+](C)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001437541612 910682922 /nfs/dbraw/zinc/68/29/22/910682922.db2.gz OYBXUSZOKNUMEL-LBPRGKRZSA-N 2 2 284.404 -0.536 20 0 CBADLP C[N@H+](CCNC(=O)CCC[NH+]1CCCC1)CC(N)=O ZINC001437565184 910687478 /nfs/dbraw/zinc/68/74/78/910687478.db2.gz NHMJBTPOXMRNME-UHFFFAOYSA-N 2 2 270.377 -0.604 20 0 CBADLP C[N@@H+](CCNC(=O)CCC[NH+]1CCCC1)CC(N)=O ZINC001437565184 910687490 /nfs/dbraw/zinc/68/74/90/910687490.db2.gz NHMJBTPOXMRNME-UHFFFAOYSA-N 2 2 270.377 -0.604 20 0 CBADLP C[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)C1C[NH+](CC(N)=O)C1 ZINC001506642093 921598212 /nfs/dbraw/zinc/59/82/12/921598212.db2.gz OJSQWNBOYFAGBZ-NSHDSACASA-N 2 2 296.415 -0.217 20 0 CBADLP CN(C)C(=O)C[N@@H+]1CCC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001437701311 910727976 /nfs/dbraw/zinc/72/79/76/910727976.db2.gz MWRYWDPQEHEIIM-ZDUSSCGKSA-N 2 2 296.415 -0.249 20 0 CBADLP CN(C)C(=O)C[N@H+]1CCC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001437701311 910727991 /nfs/dbraw/zinc/72/79/91/910727991.db2.gz MWRYWDPQEHEIIM-ZDUSSCGKSA-N 2 2 296.415 -0.249 20 0 CBADLP CNC(=O)C[NH+]1CC([C@H](C)NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001506680241 921603375 /nfs/dbraw/zinc/60/33/75/921603375.db2.gz RMGCQYXACRCBKZ-NSHDSACASA-N 2 2 284.404 -0.491 20 0 CBADLP CNC(=O)C[NH+]1CC([C@H](C)NC(=O)C[N@H+](C)C(C)C)C1 ZINC001506680241 921603370 /nfs/dbraw/zinc/60/33/70/921603370.db2.gz RMGCQYXACRCBKZ-NSHDSACASA-N 2 2 284.404 -0.491 20 0 CBADLP C[C@@H](C(=O)NCC1C[NH+](CC(N)=O)C1)[NH+]1CCCCCC1 ZINC001438140035 910831921 /nfs/dbraw/zinc/83/19/21/910831921.db2.gz DDCKGAYUJRJOPZ-LBPRGKRZSA-N 2 2 296.415 -0.216 20 0 CBADLP Cn1nncc1C[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001438188577 910842942 /nfs/dbraw/zinc/84/29/42/910842942.db2.gz IHZXBGYJBMITLX-LBPRGKRZSA-N 2 2 294.403 -0.153 20 0 CBADLP Cn1nncc1C[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001438188577 910842956 /nfs/dbraw/zinc/84/29/56/910842956.db2.gz IHZXBGYJBMITLX-LBPRGKRZSA-N 2 2 294.403 -0.153 20 0 CBADLP CC[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@H](C)C(=O)N(C)C ZINC001438340093 910884793 /nfs/dbraw/zinc/88/47/93/910884793.db2.gz GCGIMLOINNNQJB-GHMZBOCLSA-N 2 2 295.387 -0.087 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C[NH2+]CC(N)=O ZINC001438503329 910909612 /nfs/dbraw/zinc/90/96/12/910909612.db2.gz KOZTWIGWIXMOKK-OPRDCNLKSA-N 2 2 279.344 -0.660 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C[NH2+]CC(N)=O ZINC001438503329 910909620 /nfs/dbraw/zinc/90/96/20/910909620.db2.gz KOZTWIGWIXMOKK-OPRDCNLKSA-N 2 2 279.344 -0.660 20 0 CBADLP C[C@H](C[NH2+]CC(N)=O)N(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001438686011 910954326 /nfs/dbraw/zinc/95/43/26/910954326.db2.gz GBWQAOJJLVFKJF-VHSXEESVSA-N 2 2 281.360 -0.490 20 0 CBADLP C[C@H](C[NH2+]CC(N)=O)N(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001438686011 910954338 /nfs/dbraw/zinc/95/43/38/910954338.db2.gz GBWQAOJJLVFKJF-VHSXEESVSA-N 2 2 281.360 -0.490 20 0 CBADLP C[C@H](C[NH2+][C@H](C)C(N)=O)N(C)C(=O)CCCn1cc[nH+]c1 ZINC001438717123 910962507 /nfs/dbraw/zinc/96/25/07/910962507.db2.gz VJYLTSQVOYRKMV-VXGBXAGGSA-N 2 2 295.387 -0.026 20 0 CBADLP CC(C)[C@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]CC(N)=O ZINC001438806199 910971527 /nfs/dbraw/zinc/97/15/27/910971527.db2.gz AKYXUNPEHWBSBB-NSHDSACASA-N 2 2 281.360 -0.511 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]([NH2+][C@H](C)C(N)=O)C(C)C ZINC001438840973 910979444 /nfs/dbraw/zinc/97/94/44/910979444.db2.gz MMKLQWFBAXIHPF-PWSUYJOCSA-N 2 2 295.387 -0.135 20 0 CBADLP CC(C)[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+][C@@H](C)C(N)=O ZINC001438855583 910979898 /nfs/dbraw/zinc/97/98/98/910979898.db2.gz XUQHXZAUWCTSPP-WDEREUQCSA-N 2 2 281.360 -0.513 20 0 CBADLP CNC(=O)C[N@H+](C)CCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001438875370 910988797 /nfs/dbraw/zinc/98/87/97/910988797.db2.gz WFGXHBGUNPNZCN-ZDUSSCGKSA-N 2 2 296.415 -0.536 20 0 CBADLP CNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001438875370 910988805 /nfs/dbraw/zinc/98/88/05/910988805.db2.gz WFGXHBGUNPNZCN-ZDUSSCGKSA-N 2 2 296.415 -0.536 20 0 CBADLP CC[C@H](C(N)=O)[N@H+](C)CCN(C)C(=O)CCn1cc[nH+]c1 ZINC001438896845 910989590 /nfs/dbraw/zinc/98/95/90/910989590.db2.gz HTVFQNDYVUSSQJ-GFCCVEGCSA-N 2 2 295.387 -0.073 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)CCn1cc[nH+]c1 ZINC001438896845 910989608 /nfs/dbraw/zinc/98/96/08/910989608.db2.gz HTVFQNDYVUSSQJ-GFCCVEGCSA-N 2 2 295.387 -0.073 20 0 CBADLP NC(=O)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001438959314 911014870 /nfs/dbraw/zinc/01/48/70/911014870.db2.gz XFIKQZANEZELGP-PWSUYJOCSA-N 2 2 293.371 -0.298 20 0 CBADLP NC(=O)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001438959314 911014878 /nfs/dbraw/zinc/01/48/78/911014878.db2.gz XFIKQZANEZELGP-PWSUYJOCSA-N 2 2 293.371 -0.298 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H](C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001439127702 911109529 /nfs/dbraw/zinc/10/95/29/911109529.db2.gz GKWRDQVUNCVADC-SECBINFHSA-N 2 2 297.359 -0.810 20 0 CBADLP Cc1oncc1C[NH2+]C[C@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001439201269 911138232 /nfs/dbraw/zinc/13/82/32/911138232.db2.gz STUPUWNJUZAIAS-GXFFZTMASA-N 2 2 296.371 -0.092 20 0 CBADLP Cc1oncc1C[NH2+]C[C@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001439201269 911138245 /nfs/dbraw/zinc/13/82/45/911138245.db2.gz STUPUWNJUZAIAS-GXFFZTMASA-N 2 2 296.371 -0.092 20 0 CBADLP CC[C@H]([NH2+]C[C@H](C)NC(=O)Cc1c[nH+]cn1C)C(N)=O ZINC001439269957 911159623 /nfs/dbraw/zinc/15/96/23/911159623.db2.gz XRULLVWGAJHGPV-ONGXEEELSA-N 2 2 281.360 -0.679 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001439564004 911242551 /nfs/dbraw/zinc/24/25/51/911242551.db2.gz TWKRHJZOQDPIHS-DGCLKSJQSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001439564004 911242564 /nfs/dbraw/zinc/24/25/64/911242564.db2.gz TWKRHJZOQDPIHS-DGCLKSJQSA-N 2 2 296.415 -0.217 20 0 CBADLP CC[N@H+](C)CCC(=O)NC[C@H]1CC[NH+]1[C@@H](C)C(N)=O ZINC001439563386 911245506 /nfs/dbraw/zinc/24/55/06/911245506.db2.gz RQSPDPZBUCHDIN-WDEREUQCSA-N 2 2 270.377 -0.608 20 0 CBADLP CC[N@@H+](C)CCC(=O)NC[C@H]1CC[NH+]1[C@@H](C)C(N)=O ZINC001439563386 911245525 /nfs/dbraw/zinc/24/55/25/911245525.db2.gz RQSPDPZBUCHDIN-WDEREUQCSA-N 2 2 270.377 -0.608 20 0 CBADLP CC[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+]1[C@@H](C)C(N)=O ZINC001439563386 911245544 /nfs/dbraw/zinc/24/55/44/911245544.db2.gz RQSPDPZBUCHDIN-WDEREUQCSA-N 2 2 270.377 -0.608 20 0 CBADLP CC[NH+](C)CCC(=O)NC[C@H]1CC[N@H+]1[C@@H](C)C(N)=O ZINC001439563386 911245555 /nfs/dbraw/zinc/24/55/55/911245555.db2.gz RQSPDPZBUCHDIN-WDEREUQCSA-N 2 2 270.377 -0.608 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001439564005 911245639 /nfs/dbraw/zinc/24/56/39/911245639.db2.gz TWKRHJZOQDPIHS-WCQYABFASA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001439564005 911245657 /nfs/dbraw/zinc/24/56/57/911245657.db2.gz TWKRHJZOQDPIHS-WCQYABFASA-N 2 2 296.415 -0.217 20 0 CBADLP COC[C@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001440031595 911353739 /nfs/dbraw/zinc/35/37/39/911353739.db2.gz KYCWHXPGRDLHOO-GXTWGEPZSA-N 2 2 296.371 -0.529 20 0 CBADLP COC[C@H](C)[N@H+]1CC[C@@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001440031595 911353760 /nfs/dbraw/zinc/35/37/60/911353760.db2.gz KYCWHXPGRDLHOO-GXTWGEPZSA-N 2 2 296.371 -0.529 20 0 CBADLP CC[NH+]1CC(O)(CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001440055448 911367779 /nfs/dbraw/zinc/36/77/79/911367779.db2.gz XWGHQROBLRMWFW-UHFFFAOYSA-N 2 2 295.387 -0.759 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC1([NH2+]CC(N)=O)CCC1 ZINC001440344475 911432433 /nfs/dbraw/zinc/43/24/33/911432433.db2.gz ZWDCXPDNFZMNIH-SNVBAGLBSA-N 2 2 293.371 -0.298 20 0 CBADLP C[NH+](C)CCC(=O)N1CC[C@@H]([NH+]2CCN(CCO)CC2)C1 ZINC001440393004 911445527 /nfs/dbraw/zinc/44/55/27/911445527.db2.gz KZJMYUNWOFCOER-CQSZACIVSA-N 2 2 298.431 -0.851 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N1CCC[C@H]([NH+](CCO)CCO)C1 ZINC001440454294 911457184 /nfs/dbraw/zinc/45/71/84/911457184.db2.gz MUDXJQZZYFDVDO-LBPRGKRZSA-N 2 2 296.371 -0.770 20 0 CBADLP C[NH+](C)CC1(C(=O)N[C@H]2COC3(C[NH+](CCO)C3)C2)CC1 ZINC001440508098 911461579 /nfs/dbraw/zinc/46/15/79/911461579.db2.gz KHDGHDCJOSBBKO-GFCCVEGCSA-N 2 2 297.399 -0.720 20 0 CBADLP CC[C@H](C(=O)N[C@H]1COC2(C[NH+](CCOC)C2)C1)[NH+](C)C ZINC001440519965 911467087 /nfs/dbraw/zinc/46/70/87/911467087.db2.gz OMDUXTDWHGRHFD-CHWSQXEVSA-N 2 2 299.415 -0.068 20 0 CBADLP COC[C@H](O)C[NH2+]CC1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001440762384 911505588 /nfs/dbraw/zinc/50/55/88/911505588.db2.gz ZHTYTUNLJGCVMI-HTAVTVPLSA-N 2 2 296.371 -0.556 20 0 CBADLP C[C@@H](NC(=O)c1cccc2[nH+]ccn21)[C@H](C)[NH2+]CC(N)=O ZINC001440808657 911516480 /nfs/dbraw/zinc/51/64/80/911516480.db2.gz WRYVRBNTIBPMCT-VHSXEESVSA-N 2 2 289.339 -0.084 20 0 CBADLP C[N@@H+](CC(=O)NC1(CCO)C[NH+](CCCO)C1)C1CCC1 ZINC001441045602 911594191 /nfs/dbraw/zinc/59/41/91/911594191.db2.gz LKNUTFXLJKZRFH-UHFFFAOYSA-N 2 2 299.415 -0.594 20 0 CBADLP CCN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001441086622 911604214 /nfs/dbraw/zinc/60/42/14/911604214.db2.gz BNSLBOZOQOQLJN-OLZOCXBDSA-N 2 2 296.415 -0.251 20 0 CBADLP CCN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001441086622 911604223 /nfs/dbraw/zinc/60/42/23/911604223.db2.gz BNSLBOZOQOQLJN-OLZOCXBDSA-N 2 2 296.415 -0.251 20 0 CBADLP CCN(C)C(=O)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001441086622 911604232 /nfs/dbraw/zinc/60/42/32/911604232.db2.gz BNSLBOZOQOQLJN-OLZOCXBDSA-N 2 2 296.415 -0.251 20 0 CBADLP CCN(C)C(=O)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001441086622 911604237 /nfs/dbraw/zinc/60/42/37/911604237.db2.gz BNSLBOZOQOQLJN-OLZOCXBDSA-N 2 2 296.415 -0.251 20 0 CBADLP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1)C(N)=O ZINC001441389368 911662365 /nfs/dbraw/zinc/66/23/65/911662365.db2.gz UYDSTBVFMNFGRR-LSJOCFKGSA-N 2 2 279.344 -0.547 20 0 CBADLP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1)C(N)=O ZINC001441389368 911662373 /nfs/dbraw/zinc/66/23/73/911662373.db2.gz UYDSTBVFMNFGRR-LSJOCFKGSA-N 2 2 279.344 -0.547 20 0 CBADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001441523331 911693148 /nfs/dbraw/zinc/69/31/48/911693148.db2.gz HQLZKKMWCDYBNB-XWLWVQCSSA-N 2 2 293.371 -0.301 20 0 CBADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001441523331 911693156 /nfs/dbraw/zinc/69/31/56/911693156.db2.gz HQLZKKMWCDYBNB-XWLWVQCSSA-N 2 2 293.371 -0.301 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@H](C)CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001441623825 911715438 /nfs/dbraw/zinc/71/54/38/911715438.db2.gz HGAAEGGGZRXIBK-MWLCHTKSSA-N 2 2 295.387 -0.168 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)NC[C@H](CO)[NH2+]C/C=C\Cl)C1 ZINC001441693452 911750562 /nfs/dbraw/zinc/75/05/62/911750562.db2.gz GUGKLRFFPDAXEZ-UZAOFVRNSA-N 2 2 291.779 -0.864 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)NC[C@H](CO)[NH2+]C/C=C\Cl)C1 ZINC001441693452 911750580 /nfs/dbraw/zinc/75/05/80/911750580.db2.gz GUGKLRFFPDAXEZ-UZAOFVRNSA-N 2 2 291.779 -0.864 20 0 CBADLP C[C@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+][C@H](C)C(=O)N(C)C ZINC001441857746 911833685 /nfs/dbraw/zinc/83/36/85/911833685.db2.gz MHBZZFLXEJJXCC-GHMZBOCLSA-N 2 2 295.387 -0.087 20 0 CBADLP C[C@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH2+][C@H](C)C(=O)N(C)C ZINC001441857746 911833700 /nfs/dbraw/zinc/83/37/00/911833700.db2.gz MHBZZFLXEJJXCC-GHMZBOCLSA-N 2 2 295.387 -0.087 20 0 CBADLP C[C@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+]CCn1cncn1 ZINC001441867734 911842020 /nfs/dbraw/zinc/84/20/20/911842020.db2.gz TYVALBNWQDZJHR-LLVKDONJSA-N 2 2 291.359 -0.272 20 0 CBADLP C[C@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH2+]CCn1cncn1 ZINC001441867734 911842026 /nfs/dbraw/zinc/84/20/26/911842026.db2.gz TYVALBNWQDZJHR-LLVKDONJSA-N 2 2 291.359 -0.272 20 0 CBADLP C[C@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]CC(=O)NC1CC1 ZINC001441938531 911858193 /nfs/dbraw/zinc/85/81/93/911858193.db2.gz PJEKUFLLXJGZPX-LLVKDONJSA-N 2 2 293.371 -0.354 20 0 CBADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CC(=O)NCC1CC1 ZINC001441969904 911871570 /nfs/dbraw/zinc/87/15/70/911871570.db2.gz IJEGULAYBBTBIC-JTQLQIEISA-N 2 2 293.371 -0.427 20 0 CBADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001441982203 911882080 /nfs/dbraw/zinc/88/20/80/911882080.db2.gz JNKRRFHUEBEQPV-UWVGGRQHSA-N 2 2 293.371 -0.286 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@H](O)C[N@H+](C)CCO ZINC001442090183 911925045 /nfs/dbraw/zinc/92/50/45/911925045.db2.gz HZTTXYNSYDRNPG-LLVKDONJSA-N 2 2 284.360 -0.996 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@H](O)C[N@@H+](C)CCO ZINC001442090183 911925059 /nfs/dbraw/zinc/92/50/59/911925059.db2.gz HZTTXYNSYDRNPG-LLVKDONJSA-N 2 2 284.360 -0.996 20 0 CBADLP CC(C)(C)[C@H](C[NH2+]CC(N)=O)NC(=O)Cc1c[nH]c[nH+]1 ZINC001442162427 911941104 /nfs/dbraw/zinc/94/11/04/911941104.db2.gz KMUPYNFYPOLHHG-JTQLQIEISA-N 2 2 281.360 -0.442 20 0 CBADLP C[C@H]([NH2+]C[C@H](NC(=O)Cc1c[nH]c[nH+]1)C(C)(C)C)C(N)=O ZINC001442165330 911943419 /nfs/dbraw/zinc/94/34/19/911943419.db2.gz QLRVSQBBCNSKRA-ONGXEEELSA-N 2 2 295.387 -0.054 20 0 CBADLP C[NH+](CC(=O)NCC[N@@H+](C)CC(=O)N1CCC1)C1CCC1 ZINC001442409839 912005968 /nfs/dbraw/zinc/00/59/68/912005968.db2.gz AJQYEUVBIZXNKD-UHFFFAOYSA-N 2 2 296.415 -0.249 20 0 CBADLP C[NH+](CC(=O)NCC[N@H+](C)CC(=O)N1CCC1)C1CCC1 ZINC001442409839 912005985 /nfs/dbraw/zinc/00/59/85/912005985.db2.gz AJQYEUVBIZXNKD-UHFFFAOYSA-N 2 2 296.415 -0.249 20 0 CBADLP C[NH+](CCNC(=O)C[N@H+](C)C1CCC1)CC(=O)N1CCC1 ZINC001442409839 912006005 /nfs/dbraw/zinc/00/60/05/912006005.db2.gz AJQYEUVBIZXNKD-UHFFFAOYSA-N 2 2 296.415 -0.249 20 0 CBADLP C[NH+](CCNC(=O)C[N@@H+](C)C1CCC1)CC(=O)N1CCC1 ZINC001442409839 912006027 /nfs/dbraw/zinc/00/60/27/912006027.db2.gz AJQYEUVBIZXNKD-UHFFFAOYSA-N 2 2 296.415 -0.249 20 0 CBADLP CC(C)[C@@H](C(=O)NCC[N@H+](C)CC(=O)NC1CC1)[NH+](C)C ZINC001442418521 912011112 /nfs/dbraw/zinc/01/11/12/912011112.db2.gz MZIUJRKPTPMTBG-AWEZNQCLSA-N 2 2 298.431 -0.101 20 0 CBADLP CC(C)[C@@H](C(=O)NCC[N@@H+](C)CC(=O)NC1CC1)[NH+](C)C ZINC001442418521 912011127 /nfs/dbraw/zinc/01/11/27/912011127.db2.gz MZIUJRKPTPMTBG-AWEZNQCLSA-N 2 2 298.431 -0.101 20 0 CBADLP C[N@H+](CCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21)CC(N)=O ZINC001442433238 912013248 /nfs/dbraw/zinc/01/32/48/912013248.db2.gz OWDHWTVCEQUNSZ-VXGBXAGGSA-N 2 2 282.388 -0.463 20 0 CBADLP C[N@@H+](CCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21)CC(N)=O ZINC001442433238 912013263 /nfs/dbraw/zinc/01/32/63/912013263.db2.gz OWDHWTVCEQUNSZ-VXGBXAGGSA-N 2 2 282.388 -0.463 20 0 CBADLP C[NH+](CCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21)CC(N)=O ZINC001442433238 912013269 /nfs/dbraw/zinc/01/32/69/912013269.db2.gz OWDHWTVCEQUNSZ-VXGBXAGGSA-N 2 2 282.388 -0.463 20 0 CBADLP C[NH+](CCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21)CC(N)=O ZINC001442433238 912013288 /nfs/dbraw/zinc/01/32/88/912013288.db2.gz OWDHWTVCEQUNSZ-VXGBXAGGSA-N 2 2 282.388 -0.463 20 0 CBADLP C[C@@H](O)C[N@H+](C)CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001442458338 912023221 /nfs/dbraw/zinc/02/32/21/912023221.db2.gz RPEHHJHNJHPPAB-NEPJUHHUSA-N 2 2 280.372 -0.126 20 0 CBADLP C[C@@H](O)C[N@@H+](C)CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001442458338 912023231 /nfs/dbraw/zinc/02/32/31/912023231.db2.gz RPEHHJHNJHPPAB-NEPJUHHUSA-N 2 2 280.372 -0.126 20 0 CBADLP CN(C)C(=O)C[N@H+](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001442516981 912038836 /nfs/dbraw/zinc/03/88/36/912038836.db2.gz NGQVZDWVOGBXIG-UHFFFAOYSA-N 2 2 284.404 -0.536 20 0 CBADLP CN(C)C(=O)C[N@@H+](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001442516981 912038852 /nfs/dbraw/zinc/03/88/52/912038852.db2.gz NGQVZDWVOGBXIG-UHFFFAOYSA-N 2 2 284.404 -0.536 20 0 CBADLP Cc1cc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CCC[N@H+]2C)on1 ZINC001507177907 921712866 /nfs/dbraw/zinc/71/28/66/921712866.db2.gz IFIHIUKXAVXSRH-AAEUAGOBSA-N 2 2 296.371 -0.356 20 0 CBADLP Cc1cc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CCC[N@@H+]2C)on1 ZINC001507177907 921712875 /nfs/dbraw/zinc/71/28/75/921712875.db2.gz IFIHIUKXAVXSRH-AAEUAGOBSA-N 2 2 296.371 -0.356 20 0 CBADLP CCN(C)C(=O)C[N@@H+](C)CCNC(=O)C[NH+]1CCCC1 ZINC001442616128 912060668 /nfs/dbraw/zinc/06/06/68/912060668.db2.gz ZHUCVRUFCRSSDZ-UHFFFAOYSA-N 2 2 284.404 -0.392 20 0 CBADLP C[C@H](O)C[N@@H+]1CC[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001442909517 912125641 /nfs/dbraw/zinc/12/56/41/912125641.db2.gz VJAJVQAFWVAJGE-NWDGAFQWSA-N 2 2 280.372 -0.219 20 0 CBADLP C[C@H](O)C[N@H+]1CC[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001442909517 912125645 /nfs/dbraw/zinc/12/56/45/912125645.db2.gz VJAJVQAFWVAJGE-NWDGAFQWSA-N 2 2 280.372 -0.219 20 0 CBADLP CC[C@H]([NH2+]CCN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1)C(N)=O ZINC001443081285 912147534 /nfs/dbraw/zinc/14/75/34/912147534.db2.gz SLIPCXCZACOACP-PWSUYJOCSA-N 2 2 295.387 -0.100 20 0 CBADLP CC[C@H]([NH2+]CCN(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1)C(N)=O ZINC001443081285 912147542 /nfs/dbraw/zinc/14/75/42/912147542.db2.gz SLIPCXCZACOACP-PWSUYJOCSA-N 2 2 295.387 -0.100 20 0 CBADLP C[C@@H]([NH2+]CCN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1)C(N)=O ZINC001443085195 912152048 /nfs/dbraw/zinc/15/20/48/912152048.db2.gz RICHLSWFKSEDSR-MNOVXSKESA-N 2 2 293.371 -0.633 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)Cc1c[nH+]cn1C ZINC001443099810 912156279 /nfs/dbraw/zinc/15/62/79/912156279.db2.gz MSHXSYSHDWBCBD-JTQLQIEISA-N 2 2 281.360 -0.855 20 0 CBADLP C[C@H](C(N)=O)[N@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001443322693 912184908 /nfs/dbraw/zinc/18/49/08/912184908.db2.gz BRSPFPGQXDTALX-MNOVXSKESA-N 2 2 293.371 -0.394 20 0 CBADLP C[C@H](C(N)=O)[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001443322693 912184921 /nfs/dbraw/zinc/18/49/21/912184921.db2.gz BRSPFPGQXDTALX-MNOVXSKESA-N 2 2 293.371 -0.394 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H](CO)[NH2+]CC1CCC1 ZINC001507248802 921779531 /nfs/dbraw/zinc/77/95/31/921779531.db2.gz KWYUTSFZGPHZFD-LLVKDONJSA-N 2 2 266.345 -0.181 20 0 CBADLP Cn1c[nH+]cc1CC[N@@H+]1C[C@H](CO)[C@@H](CCO)C1 ZINC001473892452 915879315 /nfs/dbraw/zinc/87/93/15/915879315.db2.gz KANPDRIEPARQIK-NWDGAFQWSA-N 2 2 253.346 -0.115 20 0 CBADLP Cn1c[nH+]cc1CC[N@H+]1C[C@H](CO)[C@@H](CCO)C1 ZINC001473892452 915879335 /nfs/dbraw/zinc/87/93/35/915879335.db2.gz KANPDRIEPARQIK-NWDGAFQWSA-N 2 2 253.346 -0.115 20 0 CBADLP CC[N@H+](C)CCC(=O)N(C)C[C@@H]1CC[NH+]1[C@H]1CCNC1=O ZINC001479256094 916104483 /nfs/dbraw/zinc/10/44/83/916104483.db2.gz MWJVHKMCPRCJDX-STQMWFEESA-N 2 2 296.415 -0.251 20 0 CBADLP CC[N@@H+](C)CCC(=O)N(C)C[C@@H]1CC[NH+]1[C@H]1CCNC1=O ZINC001479256094 916104488 /nfs/dbraw/zinc/10/44/88/916104488.db2.gz MWJVHKMCPRCJDX-STQMWFEESA-N 2 2 296.415 -0.251 20 0 CBADLP CC[NH+](C)CCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@H]1CCNC1=O ZINC001479256094 916104491 /nfs/dbraw/zinc/10/44/91/916104491.db2.gz MWJVHKMCPRCJDX-STQMWFEESA-N 2 2 296.415 -0.251 20 0 CBADLP CC[NH+](C)CCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@H]1CCNC1=O ZINC001479256094 916104495 /nfs/dbraw/zinc/10/44/95/916104495.db2.gz MWJVHKMCPRCJDX-STQMWFEESA-N 2 2 296.415 -0.251 20 0 CBADLP CNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001479321143 916117683 /nfs/dbraw/zinc/11/76/83/916117683.db2.gz DZKQFHICYIJEIE-AOOOYVTPSA-N 2 2 279.344 -0.817 20 0 CBADLP C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1)C(N)=O ZINC001479330121 916117887 /nfs/dbraw/zinc/11/78/87/916117887.db2.gz PGSLHECZYJYJFJ-LPEHRKFASA-N 2 2 279.344 -0.690 20 0 CBADLP C[C@H]([NH2+][C@H]1C[C@H](CNC(=O)Cn2cc[nH+]c2)C1)C(N)=O ZINC001479418231 916130939 /nfs/dbraw/zinc/13/09/39/916130939.db2.gz CRSDPRRMVKCNIG-DCAQKATOSA-N 2 2 279.344 -0.759 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@H]1C ZINC001479708663 916156612 /nfs/dbraw/zinc/15/66/12/916156612.db2.gz HULAFTCLSCJRNZ-NEPJUHHUSA-N 2 2 296.415 -0.204 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@H]1C ZINC001479708663 916156623 /nfs/dbraw/zinc/15/66/23/916156623.db2.gz HULAFTCLSCJRNZ-NEPJUHHUSA-N 2 2 296.415 -0.204 20 0 CBADLP CNC(=O)[C@H](C)[N@H+](C)CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001479804393 916184837 /nfs/dbraw/zinc/18/48/37/916184837.db2.gz GFHRNGDQAVSQBH-JTQLQIEISA-N 2 2 281.360 -0.475 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+](C)CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001479804393 916184850 /nfs/dbraw/zinc/18/48/50/916184850.db2.gz GFHRNGDQAVSQBH-JTQLQIEISA-N 2 2 281.360 -0.475 20 0 CBADLP CC[C@H](C(N)=O)[N@H+](C)CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001479805091 916187336 /nfs/dbraw/zinc/18/73/36/916187336.db2.gz VSFUJVNEBXRXOJ-SNVBAGLBSA-N 2 2 281.360 -0.346 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+](C)CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001479805091 916187342 /nfs/dbraw/zinc/18/73/42/916187342.db2.gz VSFUJVNEBXRXOJ-SNVBAGLBSA-N 2 2 281.360 -0.346 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@H](CNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001480069161 916279230 /nfs/dbraw/zinc/27/92/30/916279230.db2.gz NOJNRGIWYINURI-ZYHUDNBSSA-N 2 2 293.371 -0.498 20 0 CBADLP C[C@H](CC(=O)N[C@@H]1C[C@H]([NH2+][C@H](C)C(N)=O)C1)n1cc[nH+]c1 ZINC001480226204 916336937 /nfs/dbraw/zinc/33/69/37/916336937.db2.gz NPQYHENFMZGZMC-KKOKHZNYSA-N 2 2 293.371 -0.055 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@@H]([NH2+]CCCO)C1 ZINC001480233339 916339816 /nfs/dbraw/zinc/33/98/16/916339816.db2.gz XYWCFAOJGOTVLS-PHIMTYICSA-N 2 2 266.345 -0.418 20 0 CBADLP C[C@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)[NH2+]CC(N)=O ZINC001480490615 916437675 /nfs/dbraw/zinc/43/76/75/916437675.db2.gz RFSKRGJBFDIPHC-ZJUUUORDSA-N 2 2 279.344 -0.975 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NC[C@H](C)[NH2+]Cc1nnnn1C ZINC001480503861 916446733 /nfs/dbraw/zinc/44/67/33/916446733.db2.gz YQMPPQKGYDNETD-VIFPVBQESA-N 2 2 292.347 -0.990 20 0 CBADLP C[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1nc(N(C)C)no1 ZINC001480531279 916458570 /nfs/dbraw/zinc/45/85/70/916458570.db2.gz XDOLBTPJZMKAQL-JTQLQIEISA-N 2 2 298.391 -0.318 20 0 CBADLP CC[C@H](C)NC(=O)C[NH2+][C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001480542079 916466642 /nfs/dbraw/zinc/46/66/42/916466642.db2.gz JKZJICGWLVRAAY-WDEREUQCSA-N 2 2 295.387 -0.039 20 0 CBADLP CCN1CC[C@@H]([NH2+][C@@H](C)CNC(=O)Cc2[nH]cc[nH+]2)C1=O ZINC001480561885 916474454 /nfs/dbraw/zinc/47/44/54/916474454.db2.gz NOKFLWKVVMUSSE-WDEREUQCSA-N 2 2 293.371 -0.333 20 0 CBADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CC(=O)NCC1CC1 ZINC001480560464 916475051 /nfs/dbraw/zinc/47/50/51/916475051.db2.gz DWDLQSVWBPHLAJ-JTQLQIEISA-N 2 2 293.371 -0.427 20 0 CBADLP CC[C@@H](C(=O)NC[C@@H](C)[NH2+]CCS(C)(=O)=O)[NH+](C)C ZINC001480575200 916477447 /nfs/dbraw/zinc/47/74/47/916477447.db2.gz QPWMDHZNWBFPJF-MNOVXSKESA-N 2 2 293.433 -0.535 20 0 CBADLP CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001480665721 916514356 /nfs/dbraw/zinc/51/43/56/916514356.db2.gz LTDOCIJGQRJTIR-NSHDSACASA-N 2 2 293.371 -0.474 20 0 CBADLP C[C@H](CCNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@@H]1CCCNC1=O ZINC001480795373 916545865 /nfs/dbraw/zinc/54/58/65/916545865.db2.gz RKBHVRBCSPHNGO-ZYHUDNBSSA-N 2 2 293.371 -0.285 20 0 CBADLP C[C@H](CCNC(=O)CCc1c[nH+]cn1C)[NH2+]CC(N)=O ZINC001480806317 916546454 /nfs/dbraw/zinc/54/64/54/916546454.db2.gz AGJDOSNREIIMGO-SNVBAGLBSA-N 2 2 281.360 -0.678 20 0 CBADLP CNC(=O)C[N@H+](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001480908483 916622947 /nfs/dbraw/zinc/62/29/47/916622947.db2.gz WUJBRXVXGXNOTQ-UHFFFAOYSA-N 2 2 270.377 -0.878 20 0 CBADLP CNC(=O)C[N@@H+](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001480908483 916622954 /nfs/dbraw/zinc/62/29/54/916622954.db2.gz WUJBRXVXGXNOTQ-UHFFFAOYSA-N 2 2 270.377 -0.878 20 0 CBADLP CC(C)[C@H](C(=O)NCC[N@H+](C)CC(N)=O)[NH+](C)C ZINC001480909937 916624767 /nfs/dbraw/zinc/62/47/67/916624767.db2.gz LMMGXURKUCNRQZ-LLVKDONJSA-N 2 2 258.366 -0.894 20 0 CBADLP CC(C)[C@H](C(=O)NCC[N@@H+](C)CC(N)=O)[NH+](C)C ZINC001480909937 916624772 /nfs/dbraw/zinc/62/47/72/916624772.db2.gz LMMGXURKUCNRQZ-LLVKDONJSA-N 2 2 258.366 -0.894 20 0 CBADLP CN(C)C(=O)C[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001480946539 916647894 /nfs/dbraw/zinc/64/78/94/916647894.db2.gz RPTWCXZLIORVRH-LLVKDONJSA-N 2 2 270.377 -0.926 20 0 CBADLP CN(C)C(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001480946539 916647912 /nfs/dbraw/zinc/64/79/12/916647912.db2.gz RPTWCXZLIORVRH-LLVKDONJSA-N 2 2 270.377 -0.926 20 0 CBADLP CN(C)C(=O)C[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001480946539 916647925 /nfs/dbraw/zinc/64/79/25/916647925.db2.gz RPTWCXZLIORVRH-LLVKDONJSA-N 2 2 270.377 -0.926 20 0 CBADLP CN(C)C(=O)C[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001480946539 916647940 /nfs/dbraw/zinc/64/79/40/916647940.db2.gz RPTWCXZLIORVRH-LLVKDONJSA-N 2 2 270.377 -0.926 20 0 CBADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH+](C)CC(N)=O ZINC001480951627 916650474 /nfs/dbraw/zinc/65/04/74/916650474.db2.gz HXLASHXMWSRULA-LLVKDONJSA-N 2 2 270.377 -0.606 20 0 CBADLP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH+](C)CC(N)=O ZINC001480951627 916650483 /nfs/dbraw/zinc/65/04/83/916650483.db2.gz HXLASHXMWSRULA-LLVKDONJSA-N 2 2 270.377 -0.606 20 0 CBADLP CC[NH+]1CCCC[C@@H]1C(=O)NCC[N@H+](C)CC(N)=O ZINC001480951627 916650488 /nfs/dbraw/zinc/65/04/88/916650488.db2.gz HXLASHXMWSRULA-LLVKDONJSA-N 2 2 270.377 -0.606 20 0 CBADLP CC[NH+]1CCCC[C@@H]1C(=O)NCC[N@@H+](C)CC(N)=O ZINC001480951627 916650495 /nfs/dbraw/zinc/65/04/95/916650495.db2.gz HXLASHXMWSRULA-LLVKDONJSA-N 2 2 270.377 -0.606 20 0 CBADLP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)CC(N)=O ZINC001480979251 916671558 /nfs/dbraw/zinc/67/15/58/916671558.db2.gz BOWXRXYRUREHKP-LBPRGKRZSA-N 2 2 284.404 -0.216 20 0 CBADLP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)CC(N)=O ZINC001480979251 916671565 /nfs/dbraw/zinc/67/15/65/916671565.db2.gz BOWXRXYRUREHKP-LBPRGKRZSA-N 2 2 284.404 -0.216 20 0 CBADLP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC)CC(N)=O ZINC001480979251 916671576 /nfs/dbraw/zinc/67/15/76/916671576.db2.gz BOWXRXYRUREHKP-LBPRGKRZSA-N 2 2 284.404 -0.216 20 0 CBADLP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC)CC(N)=O ZINC001480979251 916671581 /nfs/dbraw/zinc/67/15/81/916671581.db2.gz BOWXRXYRUREHKP-LBPRGKRZSA-N 2 2 284.404 -0.216 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)NC[C@@H]1CCC[N@@H+]1CCO ZINC001481068077 916702410 /nfs/dbraw/zinc/70/24/10/916702410.db2.gz FIHOYALFDRQDEX-ZDUSSCGKSA-N 2 2 280.372 -0.074 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)NC[C@@H]1CCC[N@H+]1CCO ZINC001481068077 916702423 /nfs/dbraw/zinc/70/24/23/916702423.db2.gz FIHOYALFDRQDEX-ZDUSSCGKSA-N 2 2 280.372 -0.074 20 0 CBADLP CN(CC[NH2+]CCCO)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001481248722 916788763 /nfs/dbraw/zinc/78/87/63/916788763.db2.gz SKWBNEUJDRUXHK-GFCCVEGCSA-N 2 2 280.372 -0.124 20 0 CBADLP CNC(=O)C[NH2+]CCN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001481290437 916807131 /nfs/dbraw/zinc/80/71/31/916807131.db2.gz JZZCNHLUBDNNJB-SNVBAGLBSA-N 2 2 281.360 -0.618 20 0 CBADLP COCC[NH+]1CC(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001481637942 916927341 /nfs/dbraw/zinc/92/73/41/916927341.db2.gz ZAVSYSJNVJBWBZ-UHFFFAOYSA-N 2 2 266.345 -0.032 20 0 CBADLP CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+]([C@H](C)C(N)=O)C1)[NH+](C)C ZINC001481692824 916955470 /nfs/dbraw/zinc/95/54/70/916955470.db2.gz WIMNQMHEOBYIFD-GRYCIOLGSA-N 2 2 284.404 -0.363 20 0 CBADLP CC(C)[C@H](C(=O)N[C@H]1CC[N@H+]([C@H](C)C(N)=O)C1)[NH+](C)C ZINC001481692824 916955495 /nfs/dbraw/zinc/95/54/95/916955495.db2.gz WIMNQMHEOBYIFD-GRYCIOLGSA-N 2 2 284.404 -0.363 20 0 CBADLP CC[C@@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)[NH2+]CCO ZINC001481825954 916998559 /nfs/dbraw/zinc/99/85/59/916998559.db2.gz MEJQSSMKJJNXCK-NEPJUHHUSA-N 2 2 280.372 -0.078 20 0 CBADLP CC[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1nncn1C ZINC001481883151 917016267 /nfs/dbraw/zinc/01/62/67/917016267.db2.gz BLRLSYUJNORWLJ-LLVKDONJSA-N 2 2 291.359 -0.304 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC1(C[NH2+]CCO)CCCC1 ZINC001481908169 917021458 /nfs/dbraw/zinc/02/14/58/917021458.db2.gz ZODWZCOVLFPXLQ-UHFFFAOYSA-N 2 2 266.345 -0.037 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC1(C[NH2+]CCO)CCCC1 ZINC001481910187 917021528 /nfs/dbraw/zinc/02/15/28/917021528.db2.gz ILPUMIDEDZUGPT-UHFFFAOYSA-N 2 2 280.372 -0.027 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)N1CCC[C@@H]1C[NH2+]CCO ZINC001482057332 917033623 /nfs/dbraw/zinc/03/36/23/917033623.db2.gz AZYUINQKGHHAEW-GFCCVEGCSA-N 2 2 266.345 -0.085 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)N1CCC[C@@H]1C[NH2+]CCO ZINC001482057332 917033634 /nfs/dbraw/zinc/03/36/34/917033634.db2.gz AZYUINQKGHHAEW-GFCCVEGCSA-N 2 2 266.345 -0.085 20 0 CBADLP COCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001482055079 917033669 /nfs/dbraw/zinc/03/36/69/917033669.db2.gz JUVRNOWNNKTJJF-CHWSQXEVSA-N 2 2 285.388 -0.456 20 0 CBADLP COCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001482055079 917033684 /nfs/dbraw/zinc/03/36/84/917033684.db2.gz JUVRNOWNNKTJJF-CHWSQXEVSA-N 2 2 285.388 -0.456 20 0 CBADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C[NH2+]CC(=O)NC1CC1 ZINC001482145789 917063092 /nfs/dbraw/zinc/06/30/92/917063092.db2.gz VQRCMYDIQSICRL-SNVBAGLBSA-N 2 2 293.371 -0.427 20 0 CBADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)C[NH2+]Cc1cnon1 ZINC001482159281 917069779 /nfs/dbraw/zinc/06/97/79/917069779.db2.gz NWHZOEGVKGAJSK-JTQLQIEISA-N 2 2 292.343 -0.112 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)C[NH2+][C@@H]1CCNC1=O ZINC001482163698 917071540 /nfs/dbraw/zinc/07/15/40/917071540.db2.gz OCAFSGHUKVSVML-GXSJLCMTSA-N 2 2 293.371 -0.509 20 0 CBADLP COCC[N@@H+]1CCO[C@@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001482202198 917089323 /nfs/dbraw/zinc/08/93/23/917089323.db2.gz CVFAGFCRGAPFBD-KBPBESRZSA-N 2 2 299.415 -0.208 20 0 CBADLP COCC[N@H+]1CCO[C@@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001482202198 917089332 /nfs/dbraw/zinc/08/93/32/917089332.db2.gz CVFAGFCRGAPFBD-KBPBESRZSA-N 2 2 299.415 -0.208 20 0 CBADLP COCC[NH+]1CCO[C@@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001482202198 917089346 /nfs/dbraw/zinc/08/93/46/917089346.db2.gz CVFAGFCRGAPFBD-KBPBESRZSA-N 2 2 299.415 -0.208 20 0 CBADLP COCC[NH+]1CCO[C@@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001482202198 917089359 /nfs/dbraw/zinc/08/93/59/917089359.db2.gz CVFAGFCRGAPFBD-KBPBESRZSA-N 2 2 299.415 -0.208 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)Cn1cc[nH+]c1 ZINC001482372546 917138468 /nfs/dbraw/zinc/13/84/68/917138468.db2.gz DOISNDSXJJIJRQ-WDEREUQCSA-N 2 2 281.360 -0.546 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]C[C@H](C)N(C)C(=O)Cn1cc[nH+]c1 ZINC001482372543 917138619 /nfs/dbraw/zinc/13/86/19/917138619.db2.gz DOISNDSXJJIJRQ-QWRGUYRKSA-N 2 2 281.360 -0.546 20 0 CBADLP CC(C)C[C@H](C[NH2+][C@H](C)C(N)=O)NC(=O)Cc1c[nH]c[nH+]1 ZINC001482392844 917143186 /nfs/dbraw/zinc/14/31/86/917143186.db2.gz JMUPJKDNORPABY-ZYHUDNBSSA-N 2 2 295.387 -0.054 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H](CC(C)C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001482392286 917143331 /nfs/dbraw/zinc/14/33/31/917143331.db2.gz FWKUGBINBYGMJD-GFCCVEGCSA-N 2 2 295.387 -0.181 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH+](C)CC(=O)NC)CC[N@@H+]1C ZINC001482596633 917175387 /nfs/dbraw/zinc/17/53/87/917175387.db2.gz AKKYKUCBNGDERS-QWHCGFSZSA-N 2 2 298.431 -0.147 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH+](C)CC(=O)NC)CC[N@H+]1C ZINC001482596633 917175395 /nfs/dbraw/zinc/17/53/95/917175395.db2.gz AKKYKUCBNGDERS-QWHCGFSZSA-N 2 2 298.431 -0.147 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)N(C)CC[N@H+](C)CC(=O)NC)CC[NH+]1C ZINC001482596633 917175403 /nfs/dbraw/zinc/17/54/03/917175403.db2.gz AKKYKUCBNGDERS-QWHCGFSZSA-N 2 2 298.431 -0.147 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)N(C)CC[N@@H+](C)CC(=O)NC)CC[NH+]1C ZINC001482596633 917175406 /nfs/dbraw/zinc/17/54/06/917175406.db2.gz AKKYKUCBNGDERS-QWHCGFSZSA-N 2 2 298.431 -0.147 20 0 CBADLP CC[C@H](C(N)=O)[N@H+](C)CCN(C)C(=O)Cc1c[nH+]cn1C ZINC001482642718 917193896 /nfs/dbraw/zinc/19/38/96/917193896.db2.gz QSEPKPKUNDYUHV-GFCCVEGCSA-N 2 2 295.387 -0.383 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)Cc1c[nH+]cn1C ZINC001482642718 917193904 /nfs/dbraw/zinc/19/39/04/917193904.db2.gz QSEPKPKUNDYUHV-GFCCVEGCSA-N 2 2 295.387 -0.383 20 0 CBADLP CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001482744035 917248112 /nfs/dbraw/zinc/24/81/12/917248112.db2.gz OKGQSONKDLSRJR-WDEREUQCSA-N 2 2 266.345 -0.468 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@H](O)C[NH2+]Cc1cnns1 ZINC001482798964 917290256 /nfs/dbraw/zinc/29/02/56/917290256.db2.gz JHLMDVYRNKWUQW-SECBINFHSA-N 2 2 296.356 -0.999 20 0 CBADLP C[C@@H](CC[NH2+]CCO)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001482846942 917310656 /nfs/dbraw/zinc/31/06/56/917310656.db2.gz YNAAEBSUQSQTAC-RYUDHWBXSA-N 2 2 280.372 -0.078 20 0 CBADLP C[C@@H](O)C[NH2+]CC[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001482890346 917325939 /nfs/dbraw/zinc/32/59/39/917325939.db2.gz PNWSRZBWTWRHPU-GHMZBOCLSA-N 2 2 268.361 -0.172 20 0 CBADLP CCN(CC[NH2+][C@H]1CCN(C)C1=O)C(=O)Cc1[nH]cc[nH+]1 ZINC001482959998 917350699 /nfs/dbraw/zinc/35/06/99/917350699.db2.gz LRZRQINXKBHXJC-NSHDSACASA-N 2 2 293.371 -0.379 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]C/C=C\CNC(=O)Cc1c[nH]c[nH+]1 ZINC001483065702 917396622 /nfs/dbraw/zinc/39/66/22/917396622.db2.gz VWIUIPRVNXPUNN-XOULXFPDSA-N 2 2 279.344 -0.651 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC/C=C/C[NH2+][C@@H]1CCNC1=O ZINC001483086176 917403769 /nfs/dbraw/zinc/40/37/69/917403769.db2.gz DVGGDZZZRIUTHK-KXMPLOMGSA-N 2 2 291.355 -0.589 20 0 CBADLP C[C@@H](C[NH2+]CC(=O)N1CCC1)NC(=O)Cc1c[nH+]cn1C ZINC001483282751 917506743 /nfs/dbraw/zinc/50/67/43/917506743.db2.gz AOVINOXJIVHUHX-NSHDSACASA-N 2 2 293.371 -0.711 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NCC1([NH2+][C@H]2CCNC2=O)CC1 ZINC001483779668 917680250 /nfs/dbraw/zinc/68/02/50/917680250.db2.gz TWMKPMBIPATROT-VIFPVBQESA-N 2 2 277.328 -0.921 20 0 CBADLP C[C@H]([NH2+]C1(CNC(=O)Cn2cc[nH+]c2)CC1)C(=O)N(C)C ZINC001483796102 917686472 /nfs/dbraw/zinc/68/64/72/917686472.db2.gz BLWACNXKOSFUIU-NSHDSACASA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@@H]([NH2+]C1(CNC(=O)Cn2cc[nH+]c2)CC1)C(=O)N(C)C ZINC001483796101 917686544 /nfs/dbraw/zinc/68/65/44/917686544.db2.gz BLWACNXKOSFUIU-LLVKDONJSA-N 2 2 293.371 -0.402 20 0 CBADLP CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001483950033 917713513 /nfs/dbraw/zinc/71/35/13/917713513.db2.gz NHEQKAAFADGGDJ-NSHDSACASA-N 2 2 293.371 -0.331 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+]1CC[C@@](C)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001484075197 917737403 /nfs/dbraw/zinc/73/74/03/917737403.db2.gz WBVUBHCASOQJLP-SMDDNHRTSA-N 2 2 293.371 -0.272 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+]1CC[C@@](C)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001484075197 917737408 /nfs/dbraw/zinc/73/74/08/917737408.db2.gz WBVUBHCASOQJLP-SMDDNHRTSA-N 2 2 293.371 -0.272 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)NCC1(O)C[NH+](CC2CC2)C1 ZINC001484263885 917806808 /nfs/dbraw/zinc/80/68/08/917806808.db2.gz GQJKWLKDPJIGQD-LBPRGKRZSA-N 2 2 267.373 -0.347 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)NCC1(O)C[NH+](CC2CC2)C1 ZINC001484263885 917806820 /nfs/dbraw/zinc/80/68/20/917806820.db2.gz GQJKWLKDPJIGQD-LBPRGKRZSA-N 2 2 267.373 -0.347 20 0 CBADLP COCCC[NH+]1CC(O)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001484284477 917817225 /nfs/dbraw/zinc/81/72/25/917817225.db2.gz GSKGYIURHCWWKI-UHFFFAOYSA-N 2 2 296.371 -0.609 20 0 CBADLP CC[C@@H](C[NH+]1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1)OC ZINC001484310479 917828077 /nfs/dbraw/zinc/82/80/77/917828077.db2.gz NNJQDEHTNWJLLP-OLZOCXBDSA-N 2 2 299.415 -0.474 20 0 CBADLP CC[C@@H](C[NH+]1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1)OC ZINC001484310479 917828086 /nfs/dbraw/zinc/82/80/86/917828086.db2.gz NNJQDEHTNWJLLP-OLZOCXBDSA-N 2 2 299.415 -0.474 20 0 CBADLP C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C[NH2+]CC(N)=O ZINC001484380295 917834611 /nfs/dbraw/zinc/83/46/11/917834611.db2.gz HGRHKGQBPOMLBK-QWRGUYRKSA-N 2 2 293.371 -0.868 20 0 CBADLP O=C(c1cccc2[nH+]ccn21)N(CCO)CC[NH2+]CCO ZINC001484488790 917873825 /nfs/dbraw/zinc/87/38/25/917873825.db2.gz UPZBPRXARCPMLM-UHFFFAOYSA-N 2 2 292.339 -0.649 20 0 CBADLP C[C@@H](O)C[N@@H+]1CCOC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001484602306 917896529 /nfs/dbraw/zinc/89/65/29/917896529.db2.gz YELWMHDLDHSXGX-OLZOCXBDSA-N 2 2 287.404 -0.474 20 0 CBADLP C[C@@H](O)C[N@H+]1CCOC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001484602306 917896544 /nfs/dbraw/zinc/89/65/44/917896544.db2.gz YELWMHDLDHSXGX-OLZOCXBDSA-N 2 2 287.404 -0.474 20 0 CBADLP CCC[N@H+](C)CC(=O)NC[C@@H]1COCC[NH+]1C[C@H](C)O ZINC001484606486 917898163 /nfs/dbraw/zinc/89/81/63/917898163.db2.gz BTEMEWZYZMOVOB-QWHCGFSZSA-N 2 2 287.404 -0.474 20 0 CBADLP CCC[N@@H+](C)CC(=O)NC[C@@H]1COCC[NH+]1C[C@H](C)O ZINC001484606486 917898175 /nfs/dbraw/zinc/89/81/75/917898175.db2.gz BTEMEWZYZMOVOB-QWHCGFSZSA-N 2 2 287.404 -0.474 20 0 CBADLP CCC[NH+](C)CC(=O)NC[C@@H]1COCC[N@@H+]1C[C@H](C)O ZINC001484606486 917898188 /nfs/dbraw/zinc/89/81/88/917898188.db2.gz BTEMEWZYZMOVOB-QWHCGFSZSA-N 2 2 287.404 -0.474 20 0 CBADLP CCC[NH+](C)CC(=O)NC[C@@H]1COCC[N@H+]1C[C@H](C)O ZINC001484606486 917898201 /nfs/dbraw/zinc/89/82/01/917898201.db2.gz BTEMEWZYZMOVOB-QWHCGFSZSA-N 2 2 287.404 -0.474 20 0 CBADLP CCC[N@H+](C)CC(=O)NC[C@H]1COCC[NH+]1C[C@@H](C)O ZINC001484606485 917899607 /nfs/dbraw/zinc/89/96/07/917899607.db2.gz BTEMEWZYZMOVOB-OLZOCXBDSA-N 2 2 287.404 -0.474 20 0 CBADLP CCC[N@@H+](C)CC(=O)NC[C@H]1COCC[NH+]1C[C@@H](C)O ZINC001484606485 917899616 /nfs/dbraw/zinc/89/96/16/917899616.db2.gz BTEMEWZYZMOVOB-OLZOCXBDSA-N 2 2 287.404 -0.474 20 0 CBADLP CCC[NH+](C)CC(=O)NC[C@H]1COCC[N@@H+]1C[C@@H](C)O ZINC001484606485 917899628 /nfs/dbraw/zinc/89/96/28/917899628.db2.gz BTEMEWZYZMOVOB-OLZOCXBDSA-N 2 2 287.404 -0.474 20 0 CBADLP CCC[NH+](C)CC(=O)NC[C@H]1COCC[N@H+]1C[C@@H](C)O ZINC001484606485 917899641 /nfs/dbraw/zinc/89/96/41/917899641.db2.gz BTEMEWZYZMOVOB-OLZOCXBDSA-N 2 2 287.404 -0.474 20 0 CBADLP C[C@@H](O)C[NH2+]C1(CNC(=O)Cc2[nH]cc[nH+]2)CCC1 ZINC001484655697 917906561 /nfs/dbraw/zinc/90/65/61/917906561.db2.gz APJKVEJOKXPMSM-SNVBAGLBSA-N 2 2 266.345 -0.039 20 0 CBADLP C[C@H](O)C[NH+]1CC2(C1)C[C@@H](NC(=O)CC[NH+](C)C)CO2 ZINC001484801267 917939870 /nfs/dbraw/zinc/93/98/70/917939870.db2.gz NEQNPBKXSCETHU-NWDGAFQWSA-N 2 2 285.388 -0.722 20 0 CBADLP C[C@@H](O)C[NH2+][C@]1(CO)CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001484851780 917946450 /nfs/dbraw/zinc/94/64/50/917946450.db2.gz UJIJZZWPFMCFOX-BXUZGUMPSA-N 2 2 296.371 -0.724 20 0 CBADLP CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001485516758 918136884 /nfs/dbraw/zinc/13/68/84/918136884.db2.gz LQBVMPUMKAOLAM-LLVKDONJSA-N 2 2 296.415 -0.489 20 0 CBADLP C[C@@H](CCC[NH2+]CC(N)=O)NC(=O)Cc1[nH]cc[nH+]1 ZINC001485742669 918181877 /nfs/dbraw/zinc/18/18/77/918181877.db2.gz CGUIONIGYWETMX-VIFPVBQESA-N 2 2 267.333 -0.688 20 0 CBADLP CC[C@H]([NH2+][C@H](C)CN(C)C(=O)Cc1c[nH+]c[nH]1)C(N)=O ZINC001485925103 918228299 /nfs/dbraw/zinc/22/82/99/918228299.db2.gz ADGKWMILZDHKOO-KOLCDFICSA-N 2 2 281.360 -0.347 20 0 CBADLP C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH2+]CCO ZINC001485923949 918231181 /nfs/dbraw/zinc/23/11/81/918231181.db2.gz PPYQTPRIZLWEIK-IJLUTSLNSA-N 2 2 280.372 -0.048 20 0 CBADLP C[C@@H](CN(C)C(=O)Cc1[nH]cc[nH+]1)[NH2+]CCCO ZINC001485938731 918235200 /nfs/dbraw/zinc/23/52/00/918235200.db2.gz RSDYXDDLDFRSHM-JTQLQIEISA-N 2 2 254.334 -0.229 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@H](C)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001485937458 918237208 /nfs/dbraw/zinc/23/72/08/918237208.db2.gz FZIRBDYWLHRPLB-ZJUUUORDSA-N 2 2 281.360 -0.477 20 0 CBADLP Cc1conc1C[NH2+][C@H](CO)CNC(=O)CC[NH+](C)C ZINC001486030682 918322112 /nfs/dbraw/zinc/32/21/12/918322112.db2.gz LBNRZZVJFNJKSM-NSHDSACASA-N 2 2 284.360 -0.499 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@H](CO)[NH2+]C[C@H]1CCCOC1 ZINC001486067056 918353980 /nfs/dbraw/zinc/35/39/80/918353980.db2.gz YNRIETGVCCOBBV-CHWSQXEVSA-N 2 2 296.371 -0.624 20 0 CBADLP C[C@@H]1C[C@H]([NH2+]CCCO)CN1C(=O)Cc1c[nH+]cn1C ZINC001486128157 918374400 /nfs/dbraw/zinc/37/44/00/918374400.db2.gz IPLZKTORTQXTLJ-NEPJUHHUSA-N 2 2 280.372 -0.076 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[C@H](C[NH2+]CC(N)=O)C1 ZINC001486214124 918384478 /nfs/dbraw/zinc/38/44/78/918384478.db2.gz BJATWQBGFSRWKG-WDEREUQCSA-N 2 2 293.371 -0.678 20 0 CBADLP CN(C[C@H](O)C[NH2+]CCF)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001486287323 918412183 /nfs/dbraw/zinc/41/21/83/918412183.db2.gz YHNCAPSEVNXNEK-VXGBXAGGSA-N 2 2 298.362 -0.176 20 0 CBADLP CC(C)[NH2+]C[C@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001486300485 918417139 /nfs/dbraw/zinc/41/71/39/918417139.db2.gz CZCORWXFDRSXMN-NSHDSACASA-N 2 2 254.334 -0.231 20 0 CBADLP C[C@@H](O)C[NH2+]C[C@H](O)CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001486311203 918423166 /nfs/dbraw/zinc/42/31/66/918423166.db2.gz GAXRKOXGWKURIU-MNOVXSKESA-N 2 2 298.387 -0.523 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+](C)C ZINC001488651642 918745581 /nfs/dbraw/zinc/74/55/81/918745581.db2.gz ARVATMCFFXAGQW-WDEREUQCSA-N 2 2 270.377 -0.655 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+](C)C ZINC001488651642 918745585 /nfs/dbraw/zinc/74/55/85/918745585.db2.gz ARVATMCFFXAGQW-WDEREUQCSA-N 2 2 270.377 -0.655 20 0 CBADLP CN(C[C@H]1CC[N@@H+]1CCO)C(=O)Cc1c[nH+]c[nH]1 ZINC001488667529 918747724 /nfs/dbraw/zinc/74/77/24/918747724.db2.gz QDEHQZWUGKIOFT-LLVKDONJSA-N 2 2 252.318 -0.523 20 0 CBADLP CN(C[C@H]1CC[N@H+]1CCO)C(=O)Cc1c[nH+]c[nH]1 ZINC001488667529 918747744 /nfs/dbraw/zinc/74/77/44/918747744.db2.gz QDEHQZWUGKIOFT-LLVKDONJSA-N 2 2 252.318 -0.523 20 0 CBADLP CC[N@H+](CCO)CCCNC(=O)Cc1c[nH+]cn1C ZINC001490355415 918897178 /nfs/dbraw/zinc/89/71/78/918897178.db2.gz KFACQLSJOVDMTA-UHFFFAOYSA-N 2 2 268.361 -0.217 20 0 CBADLP CC[N@@H+](CCO)CCCNC(=O)Cc1c[nH+]cn1C ZINC001490355415 918897202 /nfs/dbraw/zinc/89/72/02/918897202.db2.gz KFACQLSJOVDMTA-UHFFFAOYSA-N 2 2 268.361 -0.217 20 0 CBADLP COCC[NH+]1CCN(CCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001490516227 918923473 /nfs/dbraw/zinc/92/34/73/918923473.db2.gz LQXRHRCHUREVDX-UHFFFAOYSA-N 2 2 295.387 -0.737 20 0 CBADLP C[NH+](C)C1(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)CCC1 ZINC001490545903 918939417 /nfs/dbraw/zinc/93/94/17/918939417.db2.gz LAWQGPIAOJMQQX-JTQLQIEISA-N 2 2 268.361 -0.854 20 0 CBADLP C[NH+](C)C1(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)CCC1 ZINC001490545903 918939426 /nfs/dbraw/zinc/93/94/26/918939426.db2.gz LAWQGPIAOJMQQX-JTQLQIEISA-N 2 2 268.361 -0.854 20 0 CBADLP O=C(CCn1cc[nH+]c1)NC[C@@H]([NH2+]CCO)C1CC1 ZINC001490691575 918960795 /nfs/dbraw/zinc/96/07/95/918960795.db2.gz KSAIJHPSBKHXAB-GFCCVEGCSA-N 2 2 266.345 -0.250 20 0 CBADLP CCNC(=O)C[NH2+][C@H](CNC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001490710953 918963578 /nfs/dbraw/zinc/96/35/78/918963578.db2.gz QKIKQYHCSPWUAZ-GFCCVEGCSA-N 2 2 293.371 -0.427 20 0 CBADLP CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001491064610 919019588 /nfs/dbraw/zinc/01/95/88/919019588.db2.gz YCYYLCIVTZRMOV-MXWKQRLJSA-N 2 2 293.371 -0.429 20 0 CBADLP CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001491064610 919019603 /nfs/dbraw/zinc/01/96/03/919019603.db2.gz YCYYLCIVTZRMOV-MXWKQRLJSA-N 2 2 293.371 -0.429 20 0 CBADLP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)C1)C(N)=O ZINC001491075675 919025878 /nfs/dbraw/zinc/02/58/78/919025878.db2.gz JSEPZHDQPIBPFP-MXWKQRLJSA-N 2 2 293.371 -0.537 20 0 CBADLP CNC(=O)C[NH2+]C1CCC(NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001491364272 919120935 /nfs/dbraw/zinc/12/09/35/919120935.db2.gz XUBGDEDBAAPEKT-UHFFFAOYSA-N 2 2 293.371 -0.285 20 0 CBADLP C[C@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]Cc1cnnn1C ZINC001491543134 919200838 /nfs/dbraw/zinc/20/08/38/919200838.db2.gz NVTQQOPSCJBTGR-LLVKDONJSA-N 2 2 291.359 -0.304 20 0 CBADLP CC[C@H]([NH2+][C@@H](C)CNC(=O)CCc1c[nH+]cn1C)C(N)=O ZINC001491656723 919244835 /nfs/dbraw/zinc/24/48/35/919244835.db2.gz KBPIELAPUNYGQY-JQWIXIFHSA-N 2 2 295.387 -0.289 20 0 CBADLP C[C@@H]([NH2+]C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1)C(N)=O ZINC001491844899 919287201 /nfs/dbraw/zinc/28/72/01/919287201.db2.gz XQHMWDHYPTVKQM-ZJUUUORDSA-N 2 2 279.344 -0.736 20 0 CBADLP CNC(=O)C[NH2+][C@@H](C)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001492091767 919324481 /nfs/dbraw/zinc/32/44/81/919324481.db2.gz YJATXJSZZNZZCO-VIFPVBQESA-N 2 2 267.333 -0.817 20 0 CBADLP NC(=O)C[N@@H+]1CCC[C@H]1CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001492171046 919331836 /nfs/dbraw/zinc/33/18/36/919331836.db2.gz KETQVJQNDBABLY-LLVKDONJSA-N 2 2 293.371 -0.202 20 0 CBADLP NC(=O)C[N@H+]1CCC[C@H]1CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001492171046 919331853 /nfs/dbraw/zinc/33/18/53/919331853.db2.gz KETQVJQNDBABLY-LLVKDONJSA-N 2 2 293.371 -0.202 20 0 CBADLP C[N@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)Cc1ccccn1 ZINC001492220185 919361101 /nfs/dbraw/zinc/36/11/01/919361101.db2.gz FIYKZJYOMJKDKV-CQSZACIVSA-N 2 2 292.383 -0.040 20 0 CBADLP C[N@@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)Cc1ccccn1 ZINC001492220185 919361116 /nfs/dbraw/zinc/36/11/16/919361116.db2.gz FIYKZJYOMJKDKV-CQSZACIVSA-N 2 2 292.383 -0.040 20 0 CBADLP C[NH+](CCNC(=O)[C@H]1C[N@H+](C)CCO1)Cc1ccccn1 ZINC001492220185 919361121 /nfs/dbraw/zinc/36/11/21/919361121.db2.gz FIYKZJYOMJKDKV-CQSZACIVSA-N 2 2 292.383 -0.040 20 0 CBADLP C[NH+](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)Cc1ccccn1 ZINC001492220185 919361137 /nfs/dbraw/zinc/36/11/37/919361137.db2.gz FIYKZJYOMJKDKV-CQSZACIVSA-N 2 2 292.383 -0.040 20 0 CBADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)[C@@H](C)C(N)=O ZINC001492251383 919375698 /nfs/dbraw/zinc/37/56/98/919375698.db2.gz KGRYEIHGVYFAQI-NWDGAFQWSA-N 2 2 284.404 -0.219 20 0 CBADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)[C@@H](C)C(N)=O ZINC001492251383 919375713 /nfs/dbraw/zinc/37/57/13/919375713.db2.gz KGRYEIHGVYFAQI-NWDGAFQWSA-N 2 2 284.404 -0.219 20 0 CBADLP CC(C)[NH+]1CCC[C@@H]1C(=O)NCC[N@H+](C)[C@@H](C)C(N)=O ZINC001492251383 919375727 /nfs/dbraw/zinc/37/57/27/919375727.db2.gz KGRYEIHGVYFAQI-NWDGAFQWSA-N 2 2 284.404 -0.219 20 0 CBADLP CC(C)[NH+]1CCC[C@@H]1C(=O)NCC[N@@H+](C)[C@@H](C)C(N)=O ZINC001492251383 919375733 /nfs/dbraw/zinc/37/57/33/919375733.db2.gz KGRYEIHGVYFAQI-NWDGAFQWSA-N 2 2 284.404 -0.219 20 0 CBADLP C[N@@H+](CCCO)CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001492309456 919388020 /nfs/dbraw/zinc/38/80/20/919388020.db2.gz TWUGAMLEHUUUID-GFCCVEGCSA-N 2 2 280.372 -0.124 20 0 CBADLP C[N@H+](CCNC(=O)Cn1cc[nH+]c1)CCn1cccn1 ZINC001492895006 919443721 /nfs/dbraw/zinc/44/37/21/919443721.db2.gz PTDVPYIELWMQEI-UHFFFAOYSA-N 2 2 276.344 -0.172 20 0 CBADLP C[N@@H+](CCNC(=O)Cn1cc[nH+]c1)CCn1cccn1 ZINC001492895006 919443730 /nfs/dbraw/zinc/44/37/30/919443730.db2.gz PTDVPYIELWMQEI-UHFFFAOYSA-N 2 2 276.344 -0.172 20 0 CBADLP C[NH+](C)CCC(=O)NC[C@H]1CC[N@H+](Cc2cnon2)C1 ZINC001493234727 919506970 /nfs/dbraw/zinc/50/69/70/919506970.db2.gz SNBRWOMBTVTPPW-LLVKDONJSA-N 2 2 281.360 -0.041 20 0 CBADLP C[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+](Cc2cnon2)C1 ZINC001493234727 919506984 /nfs/dbraw/zinc/50/69/84/919506984.db2.gz SNBRWOMBTVTPPW-LLVKDONJSA-N 2 2 281.360 -0.041 20 0 CBADLP COC[C@H](O)C[N@@H+]1CC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001493247883 919507301 /nfs/dbraw/zinc/50/73/01/919507301.db2.gz DLHTVGRHKUUBGO-VXGBXAGGSA-N 2 2 296.371 -0.602 20 0 CBADLP COC[C@H](O)C[N@H+]1CC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001493247883 919507311 /nfs/dbraw/zinc/50/73/11/919507311.db2.gz DLHTVGRHKUUBGO-VXGBXAGGSA-N 2 2 296.371 -0.602 20 0 CBADLP C[C@@H](O)C[NH2+]CCN(C)C(=O)CCc1[nH+]ccn1C ZINC001493640006 919594250 /nfs/dbraw/zinc/59/42/50/919594250.db2.gz HRMHQDRRHJEENR-LLVKDONJSA-N 2 2 268.361 -0.219 20 0 CBADLP COC[C@@H](O)C[NH2+]CCN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001493764387 919615611 /nfs/dbraw/zinc/61/56/11/919615611.db2.gz SYLGKKTZJKPEJY-NSHDSACASA-N 2 2 298.387 -0.257 20 0 CBADLP COC[C@H](O)C[NH2+]CCN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001493764386 919616472 /nfs/dbraw/zinc/61/64/72/919616472.db2.gz SYLGKKTZJKPEJY-LLVKDONJSA-N 2 2 298.387 -0.257 20 0 CBADLP CN(CC[NH2+]CCc1ccnn1C)C(=O)Cn1cc[nH+]c1 ZINC001493808930 919624207 /nfs/dbraw/zinc/62/42/07/919624207.db2.gz BEQMOYPXVQNVDE-UHFFFAOYSA-N 2 2 290.371 -0.093 20 0 CBADLP C[C@@H]([NH2+]CC(N)=O)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001493845447 919632362 /nfs/dbraw/zinc/63/23/62/919632362.db2.gz YEHOOMVHKKZAQC-SNVBAGLBSA-N 2 2 293.371 -0.346 20 0 CBADLP COC[C@@H](C)[NH+]1CC(NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001494472600 919706384 /nfs/dbraw/zinc/70/63/84/919706384.db2.gz GTMYPEUDEHOTRV-GFCCVEGCSA-N 2 2 299.415 -0.068 20 0 CBADLP CC[C@@H](C(=O)N[C@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1)[NH+](C)C ZINC001494726011 919775985 /nfs/dbraw/zinc/77/59/85/919775985.db2.gz OAAXUDPXACKAHR-DCAQKATOSA-N 2 2 270.377 -0.609 20 0 CBADLP CC[C@@H](C(=O)N[C@H]1CC[N@H+]([C@@H](C)C(N)=O)C1)[NH+](C)C ZINC001494726011 919776000 /nfs/dbraw/zinc/77/60/00/919776000.db2.gz OAAXUDPXACKAHR-DCAQKATOSA-N 2 2 270.377 -0.609 20 0 CBADLP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001494786515 919793399 /nfs/dbraw/zinc/79/33/99/919793399.db2.gz NLGYCRUMRJBCFN-SNVBAGLBSA-N 2 2 256.350 -0.996 20 0 CBADLP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001494786515 919793409 /nfs/dbraw/zinc/79/34/09/919793409.db2.gz NLGYCRUMRJBCFN-SNVBAGLBSA-N 2 2 256.350 -0.996 20 0 CBADLP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001494786515 919793417 /nfs/dbraw/zinc/79/34/17/919793417.db2.gz NLGYCRUMRJBCFN-SNVBAGLBSA-N 2 2 256.350 -0.996 20 0 CBADLP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001494786515 919793427 /nfs/dbraw/zinc/79/34/27/919793427.db2.gz NLGYCRUMRJBCFN-SNVBAGLBSA-N 2 2 256.350 -0.996 20 0 CBADLP CC[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+][C@@H]1CCCNC1=O ZINC001495117077 919866749 /nfs/dbraw/zinc/86/67/49/919866749.db2.gz JEOMQYSLZWDZSM-VXGBXAGGSA-N 2 2 293.371 -0.354 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)NC2(C[NH2+]CCCO)CCCC2)C1 ZINC001495139945 919872348 /nfs/dbraw/zinc/87/23/48/919872348.db2.gz OZEHIYDDWBLMKL-CYBMUJFWSA-N 2 2 299.415 -0.282 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)NC2(C[NH2+]CCCO)CCCC2)C1 ZINC001495139945 919872357 /nfs/dbraw/zinc/87/23/57/919872357.db2.gz OZEHIYDDWBLMKL-CYBMUJFWSA-N 2 2 299.415 -0.282 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C[NH2+]Cc1ccon1 ZINC001495635335 919915894 /nfs/dbraw/zinc/91/58/94/919915894.db2.gz PFBWYOWZIAHXDO-DGCLKSJQSA-N 2 2 296.371 -0.153 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C[NH2+]Cc1ccon1 ZINC001495635335 919915906 /nfs/dbraw/zinc/91/59/06/919915906.db2.gz PFBWYOWZIAHXDO-DGCLKSJQSA-N 2 2 296.371 -0.153 20 0 CBADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)C[NH2+][C@H](C)C(N)=O ZINC001495786278 919940765 /nfs/dbraw/zinc/94/07/65/919940765.db2.gz PEZZOEZTSRFNLN-VHSXEESVSA-N 2 2 281.360 -0.822 20 0 CBADLP CC(C)(C(=O)NC[C@@H]1C[N@H+](CCO)CCO1)[NH+]1CCCC1 ZINC001495860055 919971607 /nfs/dbraw/zinc/97/16/07/919971607.db2.gz NZEPKMUZYJILCG-CYBMUJFWSA-N 2 2 299.415 -0.330 20 0 CBADLP CC(C)(C(=O)NC[C@@H]1C[N@@H+](CCO)CCO1)[NH+]1CCCC1 ZINC001495860055 919971618 /nfs/dbraw/zinc/97/16/18/919971618.db2.gz NZEPKMUZYJILCG-CYBMUJFWSA-N 2 2 299.415 -0.330 20 0 CBADLP C[C@@H](C[NH2+]Cc1nncn1C)N(C)C(=O)Cn1cc[nH+]c1 ZINC001496243228 920052821 /nfs/dbraw/zinc/05/28/21/920052821.db2.gz KEENBPJFNCGJLC-NSHDSACASA-N 2 2 291.359 -0.352 20 0 CBADLP C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)[C@@H]1C[NH2+]CC(N)=O ZINC001496492707 920076211 /nfs/dbraw/zinc/07/62/11/920076211.db2.gz XUVUKMQDJHKTHG-VXGBXAGGSA-N 2 2 293.371 -0.415 20 0 CBADLP CC(C)[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]C[C@@H](C)O ZINC001496641157 920101665 /nfs/dbraw/zinc/10/16/65/920101665.db2.gz HCUTYWYFRPMPNX-VXGBXAGGSA-N 2 2 268.361 -0.006 20 0 CBADLP C[C@@H]1[C@H](C(=O)N(C)CC[NH+](C)CC(N)=O)CC[N@@H+]1C ZINC001496706377 920120721 /nfs/dbraw/zinc/12/07/21/920120721.db2.gz FMHPREZDUZUHET-GHMZBOCLSA-N 2 2 270.377 -0.798 20 0 CBADLP C[C@@H]1[C@H](C(=O)N(C)CC[NH+](C)CC(N)=O)CC[N@H+]1C ZINC001496706377 920120729 /nfs/dbraw/zinc/12/07/29/920120729.db2.gz FMHPREZDUZUHET-GHMZBOCLSA-N 2 2 270.377 -0.798 20 0 CBADLP C[C@@H]1[C@H](C(=O)N(C)CC[N@H+](C)CC(N)=O)CC[NH+]1C ZINC001496706377 920120738 /nfs/dbraw/zinc/12/07/38/920120738.db2.gz FMHPREZDUZUHET-GHMZBOCLSA-N 2 2 270.377 -0.798 20 0 CBADLP C[C@@H]1[C@H](C(=O)N(C)CC[N@@H+](C)CC(N)=O)CC[NH+]1C ZINC001496706377 920120749 /nfs/dbraw/zinc/12/07/49/920120749.db2.gz FMHPREZDUZUHET-GHMZBOCLSA-N 2 2 270.377 -0.798 20 0 CBADLP CC(C)=CC[NH2+]C[C@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001497064152 920234911 /nfs/dbraw/zinc/23/49/11/920234911.db2.gz QWAZILIDARVHDB-LBPRGKRZSA-N 2 2 266.345 -0.015 20 0 CBADLP Cc1cc(C[NH2+]C[C@H](O)CNC(=O)Cn2cc[nH+]c2)on1 ZINC001497126748 920255834 /nfs/dbraw/zinc/25/58/34/920255834.db2.gz PFDZBSJPAWDACC-NSHDSACASA-N 2 2 293.327 -0.554 20 0 CBADLP CCN(CC[NH2+]CC(=O)N(C)C)C(=O)Cc1[nH]c[nH+]c1C ZINC001497489775 920311523 /nfs/dbraw/zinc/31/15/23/920311523.db2.gz AODXEXNHCGWCER-UHFFFAOYSA-N 2 2 295.387 -0.213 20 0 CBADLP O=C(C[NH2+]C/C=C\CNC(=O)Cc1c[nH]c[nH+]1)NC1CC1 ZINC001497684730 920366233 /nfs/dbraw/zinc/36/62/33/920366233.db2.gz GHKOVLLGIJRDPH-UPHRSURJSA-N 2 2 291.355 -0.507 20 0 CBADLP CC[C@@H](C(=O)NC/C=C/C[NH2+]Cc1cn(C)nn1)[NH+](C)C ZINC001497725285 920376178 /nfs/dbraw/zinc/37/61/78/920376178.db2.gz BIAOQIMXWCWAMJ-YBJDMEARSA-N 2 2 294.403 -0.083 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001497963271 920428953 /nfs/dbraw/zinc/42/89/53/920428953.db2.gz RMXAQNHZXVINLY-NXEZZACHSA-N 2 2 281.360 -0.809 20 0 CBADLP CCCNC(=O)C[NH2+]C[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001497997732 920439613 /nfs/dbraw/zinc/43/96/13/920439613.db2.gz YTVOSCMOJOALNV-LLVKDONJSA-N 2 2 281.360 -0.496 20 0 CBADLP C[C@@H](C[NH2+][C@@H](C)C(N)=O)NC(=O)CCc1c[nH]c[nH+]1 ZINC001498051941 920461600 /nfs/dbraw/zinc/46/16/00/920461600.db2.gz BBRUKTDGVMJHLB-IUCAKERBSA-N 2 2 267.333 -0.690 20 0 CBADLP C[C@@H](C[NH2+][C@@H](C)C(N)=O)NC(=O)CCc1c[nH+]c[nH]1 ZINC001498051941 920461610 /nfs/dbraw/zinc/46/16/10/920461610.db2.gz BBRUKTDGVMJHLB-IUCAKERBSA-N 2 2 267.333 -0.690 20 0 CBADLP C[C@@H](C[NH2+]Cc1cnnn1C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001498123012 920488822 /nfs/dbraw/zinc/48/88/22/920488822.db2.gz VXHPGMIVAPIRCW-VIFPVBQESA-N 2 2 277.332 -0.625 20 0 CBADLP C[C@@H](C[NH2+][C@@H](C)C(N)=O)NC(=O)CCc1c[nH+]cn1C ZINC001498176352 920511157 /nfs/dbraw/zinc/51/11/57/920511157.db2.gz IOCQYBLEYPPVMF-UWVGGRQHSA-N 2 2 281.360 -0.679 20 0 CBADLP C[C@H](O)C[N@H+](C)C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001498393302 920573686 /nfs/dbraw/zinc/57/36/86/920573686.db2.gz SVLOOIHUZNSEFA-UWVGGRQHSA-N 2 2 254.334 -0.231 20 0 CBADLP C[C@H](O)C[N@@H+](C)C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001498393302 920573695 /nfs/dbraw/zinc/57/36/95/920573695.db2.gz SVLOOIHUZNSEFA-UWVGGRQHSA-N 2 2 254.334 -0.231 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@@H](C)C[N@H+](C)[C@H](C)C(N)=O ZINC001498460372 920592520 /nfs/dbraw/zinc/59/25/20/920592520.db2.gz ZJSQRGKVGRDCQH-VHSXEESVSA-N 2 2 281.360 -0.498 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@@H](C)C[N@@H+](C)[C@H](C)C(N)=O ZINC001498460372 920592530 /nfs/dbraw/zinc/59/25/30/920592530.db2.gz ZJSQRGKVGRDCQH-VHSXEESVSA-N 2 2 281.360 -0.498 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@H](C[NH2+]CCF)C2CC2)C1 ZINC001498744327 920632027 /nfs/dbraw/zinc/63/20/27/920632027.db2.gz CJKFQPCBNFHHII-VXGBXAGGSA-N 2 2 273.352 -0.229 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N[C@H](C[NH2+]CCF)C2CC2)C1 ZINC001498744327 920632034 /nfs/dbraw/zinc/63/20/34/920632034.db2.gz CJKFQPCBNFHHII-VXGBXAGGSA-N 2 2 273.352 -0.229 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)N[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001498867575 920649674 /nfs/dbraw/zinc/64/96/74/920649674.db2.gz ZXLLYZZHPWTUKN-GFCCVEGCSA-N 2 2 293.371 -0.678 20 0 CBADLP CCOCCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001498950738 920668180 /nfs/dbraw/zinc/66/81/80/920668180.db2.gz AHRWKEBVEDAUIG-KBPBESRZSA-N 2 2 299.415 -0.066 20 0 CBADLP CCOCCC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001498950738 920668191 /nfs/dbraw/zinc/66/81/91/920668191.db2.gz AHRWKEBVEDAUIG-KBPBESRZSA-N 2 2 299.415 -0.066 20 0 CBADLP CCOCCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001498950738 920668203 /nfs/dbraw/zinc/66/82/03/920668203.db2.gz AHRWKEBVEDAUIG-KBPBESRZSA-N 2 2 299.415 -0.066 20 0 CBADLP CCOCCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001498950738 920668219 /nfs/dbraw/zinc/66/82/19/920668219.db2.gz AHRWKEBVEDAUIG-KBPBESRZSA-N 2 2 299.415 -0.066 20 0 CBADLP C[C@H](O)C[NH+]1CC(N(C)C(=O)C[N@H+](C)C2CCC2)C1 ZINC001499689729 920767889 /nfs/dbraw/zinc/76/78/89/920767889.db2.gz PGONDFUDAXMHSC-NSHDSACASA-N 2 2 269.389 -0.006 20 0 CBADLP C[C@H](O)C[NH+]1CC(N(C)C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001499689729 920767901 /nfs/dbraw/zinc/76/79/01/920767901.db2.gz PGONDFUDAXMHSC-NSHDSACASA-N 2 2 269.389 -0.006 20 0 CBADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@]2(C)CC[NH+](CC(N)=O)C2)C1 ZINC001500257773 920819485 /nfs/dbraw/zinc/81/94/85/920819485.db2.gz MOYNAJTVSZHZKK-RISCZKNCSA-N 2 2 282.388 -0.606 20 0 CBADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@]2(C)CC[NH+](CC(N)=O)C2)C1 ZINC001500257773 920819497 /nfs/dbraw/zinc/81/94/97/920819497.db2.gz MOYNAJTVSZHZKK-RISCZKNCSA-N 2 2 282.388 -0.606 20 0 CBADLP C[C@@H]1CC[NH+](CC(=O)N[C@@]2(C)CC[N@H+](CC(N)=O)C2)C1 ZINC001500257773 920819509 /nfs/dbraw/zinc/81/95/09/920819509.db2.gz MOYNAJTVSZHZKK-RISCZKNCSA-N 2 2 282.388 -0.606 20 0 CBADLP C[C@@H]1CC[NH+](CC(=O)N[C@@]2(C)CC[N@@H+](CC(N)=O)C2)C1 ZINC001500257773 920819521 /nfs/dbraw/zinc/81/95/21/920819521.db2.gz MOYNAJTVSZHZKK-RISCZKNCSA-N 2 2 282.388 -0.606 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CC[C@@](C)(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001500282029 920829485 /nfs/dbraw/zinc/82/94/85/920829485.db2.gz YTKSFYDABRXMMP-QMTHXVAHSA-N 2 2 293.371 -0.583 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CC[C@@](C)(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001500282029 920829504 /nfs/dbraw/zinc/82/95/04/920829504.db2.gz YTKSFYDABRXMMP-QMTHXVAHSA-N 2 2 293.371 -0.583 20 0 CBADLP O=C(Cn1cc[nH+]c1)NCC1([NH2+]CCO)CCOCC1 ZINC001500603864 920840077 /nfs/dbraw/zinc/84/00/77/920840077.db2.gz KTTRCDDEXYQYBS-UHFFFAOYSA-N 2 2 282.344 -0.870 20 0 CBADLP CCOCCC[NH+]1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001500978679 920931993 /nfs/dbraw/zinc/93/19/93/920931993.db2.gz ZKTOIHFMENNQKA-CYBMUJFWSA-N 2 2 299.415 -0.472 20 0 CBADLP CCOCCC[NH+]1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001500978679 920932005 /nfs/dbraw/zinc/93/20/05/920932005.db2.gz ZKTOIHFMENNQKA-CYBMUJFWSA-N 2 2 299.415 -0.472 20 0 CBADLP CC[NH2+]CCN(CCO)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001501466455 921024096 /nfs/dbraw/zinc/02/40/96/921024096.db2.gz SRDHCIBJBDOUFK-GFCCVEGCSA-N 2 2 280.372 -0.124 20 0 CBADLP Cc1cn(C(C)(C)C(=O)N(CCO)CC[NH2+]CCO)c[nH+]1 ZINC001501466244 921024313 /nfs/dbraw/zinc/02/43/13/921024313.db2.gz OMENCLBOFFOTMT-UHFFFAOYSA-N 2 2 298.387 -0.671 20 0 CBADLP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](CC(N)=O)[C@@H]1C ZINC001507383315 921814819 /nfs/dbraw/zinc/81/48/19/921814819.db2.gz IYIBEDSLJPVEBJ-VXGBXAGGSA-N 2 2 284.404 -0.217 20 0 CBADLP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[NH+](CC(N)=O)[C@@H]1C ZINC001507383315 921814831 /nfs/dbraw/zinc/81/48/31/921814831.db2.gz IYIBEDSLJPVEBJ-VXGBXAGGSA-N 2 2 284.404 -0.217 20 0 CBADLP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](CC(N)=O)[C@@H]1C ZINC001507383315 921814840 /nfs/dbraw/zinc/81/48/40/921814840.db2.gz IYIBEDSLJPVEBJ-VXGBXAGGSA-N 2 2 284.404 -0.217 20 0 CBADLP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)[C@@H]1C ZINC001507383315 921814847 /nfs/dbraw/zinc/81/48/47/921814847.db2.gz IYIBEDSLJPVEBJ-VXGBXAGGSA-N 2 2 284.404 -0.217 20 0 CBADLP CN(C[C@H](O)C[NH2+]CCF)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001507486753 921849716 /nfs/dbraw/zinc/84/97/16/921849716.db2.gz ZZQSNSGIIMTRHO-GMTAPVOTSA-N 2 2 284.335 -0.108 20 0 CBADLP CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001507488881 921850543 /nfs/dbraw/zinc/85/05/43/921850543.db2.gz NPZPDUOEWCVQTC-WCQYABFASA-N 2 2 280.372 -0.126 20 0 CBADLP CN(C[C@H](O)C[NH2+]CCCF)C(=O)Cc1[nH]cc[nH+]1 ZINC001507518179 921862808 /nfs/dbraw/zinc/86/28/08/921862808.db2.gz XWEKDOFZYALBQZ-SNVBAGLBSA-N 2 2 272.324 -0.279 20 0 CBADLP C[C@@H](O)C[NH2+]C[C@@H](O)CN(C)C(=O)CCc1c[nH+]cn1C ZINC001507553527 921868933 /nfs/dbraw/zinc/86/89/33/921868933.db2.gz VXBNGFGNHOPVCV-DGCLKSJQSA-N 2 2 298.387 -0.858 20 0 CBADLP C[C@H](O)C[N@H+](C)C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001507742147 921900330 /nfs/dbraw/zinc/90/03/30/921900330.db2.gz KXYHYIHVSQLKMF-RYUDHWBXSA-N 2 2 284.360 -0.985 20 0 CBADLP C[C@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001507742147 921900345 /nfs/dbraw/zinc/90/03/45/921900345.db2.gz KXYHYIHVSQLKMF-RYUDHWBXSA-N 2 2 284.360 -0.985 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]C1CC(N(C)C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001508143897 921916101 /nfs/dbraw/zinc/91/61/01/921916101.db2.gz XXLAERKYPOHCRD-KPPDAEKUSA-N 2 2 293.371 -0.334 20 0 CBADLP [NH3+][C@H](Cc1ccccn1)C(=O)N1CC[N@@H+]2CC[C@H]1C2 ZINC001515789223 922241527 /nfs/dbraw/zinc/24/15/27/922241527.db2.gz MQXIIFIRXVDYIO-QWHCGFSZSA-N 2 2 260.341 -0.132 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H]2C[N@@H+]3CCN2C[C@H]3C)CC1 ZINC001518741434 922267568 /nfs/dbraw/zinc/26/75/68/922267568.db2.gz HNFFFUMSBIFCBX-CHWSQXEVSA-N 2 2 266.389 -0.461 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H]2C[N@H+]3CCN2C[C@H]3C)CC1 ZINC001518741434 922267581 /nfs/dbraw/zinc/26/75/81/922267581.db2.gz HNFFFUMSBIFCBX-CHWSQXEVSA-N 2 2 266.389 -0.461 20 0 CBADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[NH2+]C[C@H]1CO ZINC001522418267 922410699 /nfs/dbraw/zinc/41/06/99/922410699.db2.gz OZOWPNYXFSFMFO-HBNTYKKESA-N 2 2 264.329 -0.684 20 0 CBADLP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001522639075 922493807 /nfs/dbraw/zinc/49/38/07/922493807.db2.gz JGDWCKRQHXHSSL-NWDGAFQWSA-N 3 2 268.405 -0.101 20 0 CBADLP C[C@@H](C(=O)N1C[C@@H]([NH3+])C(C)(C)C1)N1CC[NH2+]CC1=O ZINC001522706654 922509586 /nfs/dbraw/zinc/50/95/86/922509586.db2.gz JRJHJUOXYUCTFQ-VHSXEESVSA-N 2 2 268.361 -0.998 20 0 CBADLP [NH3+]C[C@@H](O)CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001548570393 923393967 /nfs/dbraw/zinc/39/39/67/923393967.db2.gz FWFYLVJQWATPKE-VXGBXAGGSA-N 2 2 271.361 -0.934 20 0 CBADLP [NH3+]C[C@@H](O)CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001548570393 923393981 /nfs/dbraw/zinc/39/39/81/923393981.db2.gz FWFYLVJQWATPKE-VXGBXAGGSA-N 2 2 271.361 -0.934 20 0 CBADLP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CC[NH+](C)CC1(C)C ZINC001548679480 923440611 /nfs/dbraw/zinc/44/06/11/923440611.db2.gz RGPSEXPCSOVYQV-OLZOCXBDSA-N 2 2 280.416 -0.073 20 0 CBADLP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CC[NH+](C)CC1(C)C ZINC001548679480 923440637 /nfs/dbraw/zinc/44/06/37/923440637.db2.gz RGPSEXPCSOVYQV-OLZOCXBDSA-N 2 2 280.416 -0.073 20 0 CBADLP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)N1CC[N@H+](C)CC1(C)C ZINC001548679480 923440648 /nfs/dbraw/zinc/44/06/48/923440648.db2.gz RGPSEXPCSOVYQV-OLZOCXBDSA-N 2 2 280.416 -0.073 20 0 CBADLP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)N1CC[N@@H+](C)CC1(C)C ZINC001548679480 923440657 /nfs/dbraw/zinc/44/06/57/923440657.db2.gz RGPSEXPCSOVYQV-OLZOCXBDSA-N 2 2 280.416 -0.073 20 0 CBADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1C[NH+]2CCN1C[C@@H]2C ZINC001548711054 923467311 /nfs/dbraw/zinc/46/73/11/923467311.db2.gz QMCFQJXUIHWODX-MJBXVCDLSA-N 2 2 280.416 -0.073 20 0 CBADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1C[NH+]2CCN1C[C@@H]2C ZINC001548711054 923467325 /nfs/dbraw/zinc/46/73/25/923467325.db2.gz QMCFQJXUIHWODX-MJBXVCDLSA-N 2 2 280.416 -0.073 20 0 CBADLP CC[C@@H]1C[NH+](C)CCN1C(=O)[C@@H]1C[N@@H+]2CCN1C[C@@H]2C ZINC001548711054 923467332 /nfs/dbraw/zinc/46/73/32/923467332.db2.gz QMCFQJXUIHWODX-MJBXVCDLSA-N 2 2 280.416 -0.073 20 0 CBADLP CC[C@@H]1C[NH+](C)CCN1C(=O)[C@@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001548711054 923467342 /nfs/dbraw/zinc/46/73/42/923467342.db2.gz QMCFQJXUIHWODX-MJBXVCDLSA-N 2 2 280.416 -0.073 20 0 CBADLP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCCc1cn(C)c[nH+]1 ZINC001548719390 923474804 /nfs/dbraw/zinc/47/48/04/923474804.db2.gz QUVDLLAVIFUPGG-YPMHNXCESA-N 2 2 277.372 -0.533 20 0 CBADLP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCCc1cn(C)c[nH+]1 ZINC001548719390 923474811 /nfs/dbraw/zinc/47/48/11/923474811.db2.gz QUVDLLAVIFUPGG-YPMHNXCESA-N 2 2 277.372 -0.533 20 0 CBADLP Cn1cc([C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]2[NH3+])cn1 ZINC001549074347 923553499 /nfs/dbraw/zinc/55/34/99/923553499.db2.gz RYVVEHNQZCVATF-QWHCGFSZSA-N 2 2 288.355 -0.040 20 0 CBADLP Cn1cc(O[C@H]2C[N@H+](CCc3c[nH+]cn3C)C[C@H]2O)cn1 ZINC001549599960 923607332 /nfs/dbraw/zinc/60/73/32/923607332.db2.gz YYIXBJYUWFKUMZ-KGLIPLIRSA-N 2 2 291.355 -0.180 20 0 CBADLP Cn1cc(O[C@H]2C[N@@H+](CCc3c[nH+]cn3C)C[C@H]2O)cn1 ZINC001549599960 923607349 /nfs/dbraw/zinc/60/73/49/923607349.db2.gz YYIXBJYUWFKUMZ-KGLIPLIRSA-N 2 2 291.355 -0.180 20 0 CBADLP [NH3+][C@H]1C[C@H]1c1ccc(NC(=O)CN2CC[NH2+]CC2=O)cc1 ZINC001550091268 923675053 /nfs/dbraw/zinc/67/50/53/923675053.db2.gz CGIGFEFKEHMQAT-STQMWFEESA-N 2 2 288.351 -0.129 20 0 CBADLP [NH3+][C@H]1C[C@@H]1C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC001550100965 923681392 /nfs/dbraw/zinc/68/13/92/923681392.db2.gz ZLZXUUYTZNEJGK-STQMWFEESA-N 2 2 275.356 -0.490 20 0 CBADLP OC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC001550148382 923699061 /nfs/dbraw/zinc/69/90/61/923699061.db2.gz NAFRGZFKTKADJA-QXSJWSMHSA-N 2 2 295.427 -0.010 20 0 CBADLP OC[C@@H]1C[N@H+]2CCC[C@@H]2CN1CC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC001550148382 923699072 /nfs/dbraw/zinc/69/90/72/923699072.db2.gz NAFRGZFKTKADJA-QXSJWSMHSA-N 2 2 295.427 -0.010 20 0 CBADLP OC[C@@H]1C[NH+]2CCC[C@@H]2CN1CC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC001550148382 923699076 /nfs/dbraw/zinc/69/90/76/923699076.db2.gz NAFRGZFKTKADJA-QXSJWSMHSA-N 2 2 295.427 -0.010 20 0 CBADLP OC[C@@H]1C[NH+]2CCC[C@@H]2CN1CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC001550148382 923699082 /nfs/dbraw/zinc/69/90/82/923699082.db2.gz NAFRGZFKTKADJA-QXSJWSMHSA-N 2 2 295.427 -0.010 20 0 CBADLP C[NH+](C)[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1n1ccnn1 ZINC001550409124 923727653 /nfs/dbraw/zinc/72/76/53/923727653.db2.gz VWYJNHVNLXNMLM-VXGBXAGGSA-N 2 2 289.343 -0.443 20 0 CBADLP O=C1CC[C@H]([NH2+]C[C@@H]2C[C@@H](F)C[NH2+]2)[C@H](C2CC[NH2+]CC2)N1 ZINC001550914523 923754377 /nfs/dbraw/zinc/75/43/77/923754377.db2.gz VLDADWNKLPDPQL-OSFYFWSMSA-N 3 2 298.406 -0.077 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NC1CC2(C[C@H]2[NH3+])C1 ZINC001551599709 923809021 /nfs/dbraw/zinc/80/90/21/923809021.db2.gz OKBCWFFIACLZCY-KTEZZQQRSA-N 2 2 282.388 -0.114 20 0 CBADLP C[N@@H+]1CCO[C@@H]2CCN(C(=O)[C@H]3C[NH2+]CCOC3)C[C@H]21 ZINC001552091340 923831821 /nfs/dbraw/zinc/83/18/21/923831821.db2.gz XRPNVBLVEUQCAY-YNEHKIRRSA-N 2 2 283.372 -0.846 20 0 CBADLP C[N@H+]1CCO[C@@H]2CCN(C(=O)[C@H]3C[NH2+]CCOC3)C[C@H]21 ZINC001552091340 923831828 /nfs/dbraw/zinc/83/18/28/923831828.db2.gz XRPNVBLVEUQCAY-YNEHKIRRSA-N 2 2 283.372 -0.846 20 0 CBADLP O=C([C@@H]1C[C@@H]1C1CC[NH2+]CC1)N1CC[NH+](CCO)CC1 ZINC001552157009 923837102 /nfs/dbraw/zinc/83/71/02/923837102.db2.gz XMLPRFALJGABKX-ZIAGYGMSSA-N 2 2 281.400 -0.241 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552200766 923858882 /nfs/dbraw/zinc/85/88/82/923858882.db2.gz WOAWWIYEYWKIKK-YRGRVCCFSA-N 2 2 283.372 -0.941 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@@]23C[NH2+]C[C@H]2COC3)CC1 ZINC001552200894 923859939 /nfs/dbraw/zinc/85/99/39/923859939.db2.gz VQEQVVMLQUURIC-GXTWGEPZSA-N 2 2 283.372 -0.987 20 0 CBADLP O=C(NCCc1[nH]cc[nH+]1)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552201614 923860139 /nfs/dbraw/zinc/86/01/39/923860139.db2.gz UNOPPDHTKNCVJA-SKDRFNHKSA-N 2 2 250.302 -0.696 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2COC3)CC1 ZINC001552200899 923860843 /nfs/dbraw/zinc/86/08/43/923860843.db2.gz VQEQVVMLQUURIC-OCCSQVGLSA-N 2 2 283.372 -0.987 20 0 CBADLP O=C(NC1CC[NH2+]CC1)[C@H]1CC[C@@H](C[NH+]2CCOCC2)O1 ZINC001553343212 923951065 /nfs/dbraw/zinc/95/10/65/923951065.db2.gz ILGQHBJHCUKZJE-UONOGXRCSA-N 2 2 297.399 -0.266 20 0 CBADLP O=C(N[C@@H]1CCC[NH2+]C1)[C@H]1CC[C@@H](C[NH+]2CCOCC2)O1 ZINC001553350838 923953755 /nfs/dbraw/zinc/95/37/55/923953755.db2.gz JRGRICOKNQQUEZ-HZSPNIEDSA-N 2 2 297.399 -0.266 20 0 CBADLP O=C(N[C@@H]1CC[NH2+]C1)[C@H]1CC[C@@H](C[NH+]2CCOCC2)O1 ZINC001553356832 923961150 /nfs/dbraw/zinc/96/11/50/923961150.db2.gz YUTXFPOSOKVPQH-FRRDWIJNSA-N 2 2 283.372 -0.656 20 0 CBADLP O=C(N[C@@H]1CC[NH2+]C1)[C@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001553356835 923962891 /nfs/dbraw/zinc/96/28/91/923962891.db2.gz YUTXFPOSOKVPQH-JHJVBQTASA-N 2 2 283.372 -0.656 20 0 CBADLP CN(C(=O)[C@@H]1CC[C@@H](C[NH+]2CCOCC2)O1)[C@@H]1CC[NH2+]C1 ZINC001553360292 923963768 /nfs/dbraw/zinc/96/37/68/923963768.db2.gz XHTSVQVYFVSVFK-RDBSUJKOSA-N 2 2 297.399 -0.314 20 0 CBADLP [NH3+]C[C@@H]1CCCN1C(=O)[C@H]1CC[C@@H](C[NH+]2CCOCC2)O1 ZINC001553360334 923966313 /nfs/dbraw/zinc/96/63/13/923966313.db2.gz XCDZUWXGQCVPNW-MELADBBJSA-N 2 2 297.399 -0.184 20 0 CBADLP O=C(N[C@@H]1C[NH2+]CC(F)(F)C1)[C@@H]1C[C@H]2OCC[C@H]2[NH2+]1 ZINC001553407558 923981705 /nfs/dbraw/zinc/98/17/05/923981705.db2.gz HJPYEKSERCNAMM-QCLAVDOMSA-N 2 2 275.299 -0.381 20 0 CBADLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@@H]1C[C@H]2OCC[C@H]2[NH2+]1 ZINC001553412335 923987711 /nfs/dbraw/zinc/98/77/11/923987711.db2.gz ODRAONGQSIWUSL-FRRDWIJNSA-N 2 2 297.399 -0.267 20 0 CBADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@@H]1C[C@H]2OCC[C@H]2[NH2+]1 ZINC001553412335 923987717 /nfs/dbraw/zinc/98/77/17/923987717.db2.gz ODRAONGQSIWUSL-FRRDWIJNSA-N 2 2 297.399 -0.267 20 0 CBADLP C[C@H](CNC(=O)N1C[C@@H]2CC[C@]2([NH3+])C1)[NH+]1CCOCC1 ZINC001553429606 923997073 /nfs/dbraw/zinc/99/70/73/923997073.db2.gz XCMLSJIHWAKDHT-DYEKYZERSA-N 2 2 282.388 -0.160 20 0 CBADLP C[N@@H+]1CCO[C@H](CNC(=O)N2CC[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC001553447864 924000786 /nfs/dbraw/zinc/00/07/86/924000786.db2.gz WKPFOYSVEPODDD-BFHYXJOUSA-N 2 2 296.415 -0.042 20 0 CBADLP C[N@H+]1CCO[C@H](CNC(=O)N2CC[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC001553447864 924000793 /nfs/dbraw/zinc/00/07/93/924000793.db2.gz WKPFOYSVEPODDD-BFHYXJOUSA-N 2 2 296.415 -0.042 20 0 CBADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001553448111 924000938 /nfs/dbraw/zinc/00/09/38/924000938.db2.gz LPYTZUGGBNUXPN-UMVBOHGHSA-N 2 2 295.431 -0.245 20 0 CBADLP CC1(C)C[N@H+](CCNC(=O)N2C[C@@H]3[C@@H](C[NH3+])[C@@H]3C2)CCO1 ZINC001553445797 924001403 /nfs/dbraw/zinc/00/14/03/924001403.db2.gz VUDQQGFOSAOPRT-XYYAHUGASA-N 2 2 296.415 -0.057 20 0 CBADLP CC1(C)C[N@@H+](CCNC(=O)N2C[C@@H]3[C@@H](C[NH3+])[C@@H]3C2)CCO1 ZINC001553445797 924001412 /nfs/dbraw/zinc/00/14/12/924001412.db2.gz VUDQQGFOSAOPRT-XYYAHUGASA-N 2 2 296.415 -0.057 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)N[C@@]23CCC[C@@H]2C[NH2+]C3)CC1 ZINC001553530018 924026122 /nfs/dbraw/zinc/02/61/22/924026122.db2.gz QBKYAYDXXYCBAQ-IUODEOHRSA-N 3 2 295.431 -0.149 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)N[C@]23CCC[C@@H]2C[NH2+]C3)CC1 ZINC001553530015 924027010 /nfs/dbraw/zinc/02/70/10/924027010.db2.gz QBKYAYDXXYCBAQ-DOMZBBRYSA-N 3 2 295.431 -0.149 20 0 CBADLP CC[N@@H+]1CC[C@H]1C(=O)N1CC[NH+](CCO)C[C@H]1C ZINC001557001384 924099800 /nfs/dbraw/zinc/09/98/00/924099800.db2.gz XVXTVWRNCCUAOO-NEPJUHHUSA-N 2 2 255.362 -0.394 20 0 CBADLP CC[N@H+]1CC[C@H]1C(=O)N1CC[NH+](CCO)C[C@H]1C ZINC001557001384 924099812 /nfs/dbraw/zinc/09/98/12/924099812.db2.gz XVXTVWRNCCUAOO-NEPJUHHUSA-N 2 2 255.362 -0.394 20 0 CBADLP CC[NH+]1CC[C@H]1C(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC001557001384 924099824 /nfs/dbraw/zinc/09/98/24/924099824.db2.gz XVXTVWRNCCUAOO-NEPJUHHUSA-N 2 2 255.362 -0.394 20 0 CBADLP CC[NH+]1CC[C@H]1C(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC001557001384 924099828 /nfs/dbraw/zinc/09/98/28/924099828.db2.gz XVXTVWRNCCUAOO-NEPJUHHUSA-N 2 2 255.362 -0.394 20 0 CBADLP C[NH+](C)C1(CNC(=O)CN2CC[NH+](C)CC2)CC1 ZINC001558996251 924207103 /nfs/dbraw/zinc/20/71/03/924207103.db2.gz BOXHMSHCIWGITD-UHFFFAOYSA-N 2 2 254.378 -0.556 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NCC1CC[NH+](C)CC1 ZINC000337637411 214192122 /nfs/dbraw/zinc/19/21/22/214192122.db2.gz YWGAFKJUFMLPPL-UHFFFAOYSA-N 2 2 298.431 -0.099 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NCC1CC[NH+](C)CC1 ZINC000337637411 214192124 /nfs/dbraw/zinc/19/21/24/214192124.db2.gz YWGAFKJUFMLPPL-UHFFFAOYSA-N 2 2 298.431 -0.099 20 0 CBADLP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000305764600 282132705 /nfs/dbraw/zinc/13/27/05/282132705.db2.gz GMRXLFCPWHBSGS-IJLUTSLNSA-N 2 2 278.418 -0.146 20 0 CBADLP C[C@@H](NC(=O)C=Cc1c[nH]c[nH+]1)C(=O)NCC[NH+](C)C ZINC000493744178 230338002 /nfs/dbraw/zinc/33/80/02/230338002.db2.gz FTOLPRQZOJNKIW-UMCURTJPSA-N 2 2 279.344 -0.395 20 0 CBADLP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCCn1cc[nH+]c1 ZINC000126250918 187227945 /nfs/dbraw/zinc/22/79/45/187227945.db2.gz PZBBMJJUPAPCBL-NSHDSACASA-N 2 2 267.333 -0.901 20 0 CBADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CC(=O)NC(N)=O ZINC000441185306 282214979 /nfs/dbraw/zinc/21/49/79/282214979.db2.gz ZNBIDQMJCSUOKX-MXWKQRLJSA-N 2 2 284.360 -0.635 20 0 CBADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CC(=O)NC(N)=O ZINC000441185306 282214983 /nfs/dbraw/zinc/21/49/83/282214983.db2.gz ZNBIDQMJCSUOKX-MXWKQRLJSA-N 2 2 284.360 -0.635 20 0 CBADLP C[C@H](CNC(=O)N1CC[NH+](C)CC1)C[NH+]1CCOCC1 ZINC000351174724 219082786 /nfs/dbraw/zinc/08/27/86/219082786.db2.gz YIANODKEUQTVFD-CYBMUJFWSA-N 2 2 284.404 -0.088 20 0 CBADLP C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000429493186 290694483 /nfs/dbraw/zinc/69/44/83/290694483.db2.gz HBZRVZYZVQVPHF-NEPJUHHUSA-N 2 2 255.362 -0.083 20 0 CBADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000351390051 219095059 /nfs/dbraw/zinc/09/50/59/219095059.db2.gz UVJAQXZWADOWEN-OLZOCXBDSA-N 2 2 269.389 -0.006 20 0 CBADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000351390051 219095061 /nfs/dbraw/zinc/09/50/61/219095061.db2.gz UVJAQXZWADOWEN-OLZOCXBDSA-N 2 2 269.389 -0.006 20 0 CBADLP CN(C)C(=O)[C@@H]1CCC[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000351390051 219095063 /nfs/dbraw/zinc/09/50/63/219095063.db2.gz UVJAQXZWADOWEN-OLZOCXBDSA-N 2 2 269.389 -0.006 20 0 CBADLP CN(C)C(=O)[C@@H]1CCC[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351390051 219095066 /nfs/dbraw/zinc/09/50/66/219095066.db2.gz UVJAQXZWADOWEN-OLZOCXBDSA-N 2 2 269.389 -0.006 20 0 CBADLP CCNC(=O)C[NH+]1CCN(C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000351391128 219095660 /nfs/dbraw/zinc/09/56/60/219095660.db2.gz WUOUECJOLIIRTM-AWEZNQCLSA-N 2 2 298.431 -0.805 20 0 CBADLP CCNC(=O)C[NH+]1CCN(C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000351391128 219095661 /nfs/dbraw/zinc/09/56/61/219095661.db2.gz WUOUECJOLIIRTM-AWEZNQCLSA-N 2 2 298.431 -0.805 20 0 CBADLP C[C@@H]1C[C@H](C(=O)N[C@@H](CO)C[NH+]2CCOCC2)CC[N@@H+]1C ZINC000351507496 219109630 /nfs/dbraw/zinc/10/96/30/219109630.db2.gz ZQLHGRWZSGAHGA-MGPQQGTHSA-N 2 2 299.415 -0.474 20 0 CBADLP C[C@@H]1C[C@H](C(=O)N[C@@H](CO)C[NH+]2CCOCC2)CC[N@H+]1C ZINC000351507496 219109633 /nfs/dbraw/zinc/10/96/33/219109633.db2.gz ZQLHGRWZSGAHGA-MGPQQGTHSA-N 2 2 299.415 -0.474 20 0 CBADLP C[NH2+]C[C@@](C)(O)C[NH+]1CCN(Cc2noc(C)n2)CC1 ZINC000573571768 334948461 /nfs/dbraw/zinc/94/84/61/334948461.db2.gz ZOIZBFVWXYEBQZ-CYBMUJFWSA-N 2 2 283.376 -0.534 20 0 CBADLP COC[C@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000127082775 187281201 /nfs/dbraw/zinc/28/12/01/187281201.db2.gz SRYRGQJEQKOTDU-CHWSQXEVSA-N 2 2 258.362 -0.352 20 0 CBADLP COC[C@H](O)C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000127082775 187281202 /nfs/dbraw/zinc/28/12/02/187281202.db2.gz SRYRGQJEQKOTDU-CHWSQXEVSA-N 2 2 258.362 -0.352 20 0 CBADLP CNC(=O)N[C@H]1CC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000351598441 219139288 /nfs/dbraw/zinc/13/92/88/219139288.db2.gz CBBPZFYZYGPQDY-CMPLNLGQSA-N 2 2 270.377 -0.555 20 0 CBADLP CNC(=O)N[C@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000351598441 219139290 /nfs/dbraw/zinc/13/92/90/219139290.db2.gz CBBPZFYZYGPQDY-CMPLNLGQSA-N 2 2 270.377 -0.555 20 0 CBADLP CNC(=O)N[C@H]1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000351598441 219139291 /nfs/dbraw/zinc/13/92/91/219139291.db2.gz CBBPZFYZYGPQDY-CMPLNLGQSA-N 2 2 270.377 -0.555 20 0 CBADLP CNC(=O)N[C@H]1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000351598441 219139293 /nfs/dbraw/zinc/13/92/93/219139293.db2.gz CBBPZFYZYGPQDY-CMPLNLGQSA-N 2 2 270.377 -0.555 20 0 CBADLP COC(=O)C[C@]1([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)CCOC1 ZINC000351597512 219140482 /nfs/dbraw/zinc/14/04/82/219140482.db2.gz BAVMGPJNTUHSGH-TZMCWYRMSA-N 2 2 286.372 -0.247 20 0 CBADLP COC(=O)C[C@]1([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)CCOC1 ZINC000351597512 219140484 /nfs/dbraw/zinc/14/04/84/219140484.db2.gz BAVMGPJNTUHSGH-TZMCWYRMSA-N 2 2 286.372 -0.247 20 0 CBADLP C[C@@H](C(=O)N1CC[NH2+]C[C@@H]1C(F)F)N1CC[NH+](C)CC1 ZINC000573728037 334961653 /nfs/dbraw/zinc/96/16/53/334961653.db2.gz VTNXQUSGQZIKFE-WDEREUQCSA-N 2 2 290.358 -0.312 20 0 CBADLP CC[NH+](CC)CC(=O)N1CC[NH+]([C@@H](C)C(=O)N(C)C)CC1 ZINC000351782272 219206193 /nfs/dbraw/zinc/20/61/93/219206193.db2.gz PNRHXOLBBDKPHR-ZDUSSCGKSA-N 2 2 298.431 -0.051 20 0 CBADLP C[C@@H](C(=O)NCC[N@H+](C)C1CC1)[NH+]1CCOCC1 ZINC000339692608 215302053 /nfs/dbraw/zinc/30/20/53/215302053.db2.gz FUPACUZFGIYEIK-NSHDSACASA-N 2 2 255.362 -0.083 20 0 CBADLP C[C@@H](C(=O)NCC[N@@H+](C)C1CC1)[NH+]1CCOCC1 ZINC000339692608 215302055 /nfs/dbraw/zinc/30/20/55/215302055.db2.gz FUPACUZFGIYEIK-NSHDSACASA-N 2 2 255.362 -0.083 20 0 CBADLP CC(C)(CNC(=O)C[C@H]1C[NH2+]CCO1)[NH+]1CCOCC1 ZINC000091310370 180131917 /nfs/dbraw/zinc/13/19/17/180131917.db2.gz KRWGPBIMDZEPLH-LBPRGKRZSA-N 2 2 285.388 -0.408 20 0 CBADLP CC[NH+](CC)CC(=O)N1CC[NH+](CC2(CO)COC2)CC1 ZINC000089124677 282685269 /nfs/dbraw/zinc/68/52/69/282685269.db2.gz GRMOOTLMQLIEGJ-UHFFFAOYSA-N 2 2 299.415 -0.519 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H](CO)CC2)CC1 ZINC000339754669 215327393 /nfs/dbraw/zinc/32/73/93/215327393.db2.gz UMTSYNHWYZFHQY-ZDUSSCGKSA-N 2 2 269.389 -0.145 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H](CO)CC2)CC1 ZINC000339754669 215327395 /nfs/dbraw/zinc/32/73/95/215327395.db2.gz UMTSYNHWYZFHQY-ZDUSSCGKSA-N 2 2 269.389 -0.145 20 0 CBADLP C[C@H](CNC(=O)C[C@@H]1CC[NH2+]C1)[NH+]1CCOCC1 ZINC000130422926 282709680 /nfs/dbraw/zinc/70/96/80/282709680.db2.gz NCKCWMCWRWCSNV-NEPJUHHUSA-N 2 2 255.362 -0.177 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000109752424 186270476 /nfs/dbraw/zinc/27/04/76/186270476.db2.gz ORISOSXVUUKMKI-CHWSQXEVSA-N 2 2 268.405 -0.038 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000109752424 186270478 /nfs/dbraw/zinc/27/04/78/186270478.db2.gz ORISOSXVUUKMKI-CHWSQXEVSA-N 2 2 268.405 -0.038 20 0 CBADLP CC[C@@H](C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)[NH+](C)C ZINC000133484965 282715447 /nfs/dbraw/zinc/71/54/47/282715447.db2.gz UUTUIZQJPNTNDC-OLZOCXBDSA-N 2 2 287.404 -0.522 20 0 CBADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(CCC[NH3+])CC1 ZINC000037037882 351396574 /nfs/dbraw/zinc/39/65/74/351396574.db2.gz XTTGZSZAPPUMEK-NSHDSACASA-N 2 2 254.378 -0.380 20 0 CBADLP C[C@@H](C(=O)NC1CC1)N1CC[NH+](CCC[NH3+])CC1 ZINC000037037882 351396578 /nfs/dbraw/zinc/39/65/78/351396578.db2.gz XTTGZSZAPPUMEK-NSHDSACASA-N 2 2 254.378 -0.380 20 0 CBADLP C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(CCC[NH3+])CC1 ZINC000037037906 351397009 /nfs/dbraw/zinc/39/70/09/351397009.db2.gz FVRMWXNMRXMWGV-ZDUSSCGKSA-N 2 2 284.404 -0.800 20 0 CBADLP C[C@@H](C(=O)N1CCOCC1)N1CC[NH+](CCC[NH3+])CC1 ZINC000037037906 351397013 /nfs/dbraw/zinc/39/70/13/351397013.db2.gz FVRMWXNMRXMWGV-ZDUSSCGKSA-N 2 2 284.404 -0.800 20 0 CBADLP C[C@@H](C(=O)N(C)CC[NH+]1CCOCC1)N1CC[NH+](C)CC1 ZINC000339797283 215342688 /nfs/dbraw/zinc/34/26/88/215342688.db2.gz JTCQMUGAFZHNRN-AWEZNQCLSA-N 2 2 298.431 -0.587 20 0 CBADLP O=C(C[NH+]1CCN(c2ccccn2)CC1)N1CC[NH2+]CC1 ZINC000019802718 351351864 /nfs/dbraw/zinc/35/18/64/351351864.db2.gz ACHUJOVNWNUXMJ-UHFFFAOYSA-N 2 2 289.383 -0.365 20 0 CBADLP CC(C)(CNC(=O)C[N@@H+]1CCC[C@@H](O)C1)[NH+]1CCOCC1 ZINC000020941964 351354904 /nfs/dbraw/zinc/35/49/04/351354904.db2.gz ZNBMVZKUVGCJCC-CYBMUJFWSA-N 2 2 299.415 -0.330 20 0 CBADLP CC(C)(CNC(=O)C[N@H+]1CCC[C@@H](O)C1)[NH+]1CCOCC1 ZINC000020941964 351354907 /nfs/dbraw/zinc/35/49/07/351354907.db2.gz ZNBMVZKUVGCJCC-CYBMUJFWSA-N 2 2 299.415 -0.330 20 0 CBADLP Cn1cc[nH+]c1[C@@H]1CN(C(=O)[C@H]2COCC[NH2+]2)CCN1C ZINC000424169521 282755653 /nfs/dbraw/zinc/75/56/53/282755653.db2.gz JTCWQUGCHXQGLR-NEPJUHHUSA-N 2 2 293.371 -0.776 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@H](O)C2)CC1 ZINC000043305389 351441238 /nfs/dbraw/zinc/44/12/38/351441238.db2.gz QYXUVEGGOACGHI-OLZOCXBDSA-N 2 2 269.389 -0.004 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@H](O)C2)CC1 ZINC000043305389 351441240 /nfs/dbraw/zinc/44/12/40/351441240.db2.gz QYXUVEGGOACGHI-OLZOCXBDSA-N 2 2 269.389 -0.004 20 0 CBADLP Cn1cc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)c(=O)n(C)c1=O ZINC000044685410 351445972 /nfs/dbraw/zinc/44/59/72/351445972.db2.gz ILJAUZRNNNBLNC-LLVKDONJSA-N 2 2 278.356 -0.590 20 0 CBADLP Cn1cc(C[NH2+][C@@H]2CC[N@H+](C3CC3)C2)c(=O)n(C)c1=O ZINC000044685410 351445981 /nfs/dbraw/zinc/44/59/81/351445981.db2.gz ILJAUZRNNNBLNC-LLVKDONJSA-N 2 2 278.356 -0.590 20 0 CBADLP CS(=O)(=O)CCC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000038047960 351413144 /nfs/dbraw/zinc/41/31/44/351413144.db2.gz GVPJTSRKFFCEOA-NSHDSACASA-N 2 2 264.391 -0.533 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCCC[C@H]2CO)CC1 ZINC000049751718 351496096 /nfs/dbraw/zinc/49/60/96/351496096.db2.gz SHYLRKAZXFWQFM-LBPRGKRZSA-N 2 2 255.362 -0.393 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CCCC[C@H]2CO)CC1 ZINC000049751718 351496099 /nfs/dbraw/zinc/49/60/99/351496099.db2.gz SHYLRKAZXFWQFM-LBPRGKRZSA-N 2 2 255.362 -0.393 20 0 CBADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCCO)CC2)CC1 ZINC000051758539 351512742 /nfs/dbraw/zinc/51/27/42/351512742.db2.gz YWSDWHYRRCSWEX-UHFFFAOYSA-N 2 2 284.404 -0.164 20 0 CBADLP O=C(CCN1CC[NH+](C2CC2)CC1)N1CC[NH2+]CC1 ZINC000053298788 351526786 /nfs/dbraw/zinc/52/67/86/351526786.db2.gz XDHDGAJWPXGFLR-UHFFFAOYSA-N 2 2 266.389 -0.412 20 0 CBADLP CN(C)CC[N@H+](C)CCCNC(=O)Cn1cc[nH+]c1 ZINC000291447223 198024423 /nfs/dbraw/zinc/02/44/23/198024423.db2.gz KVNPTPQGAIMXOF-UHFFFAOYSA-N 2 2 267.377 -0.117 20 0 CBADLP CN(C)CC[N@@H+](C)CCCNC(=O)Cn1cc[nH+]c1 ZINC000291447223 198024425 /nfs/dbraw/zinc/02/44/25/198024425.db2.gz KVNPTPQGAIMXOF-UHFFFAOYSA-N 2 2 267.377 -0.117 20 0 CBADLP CN(CCCNC(=O)Cn1cc[nH+]c1)CC[NH+](C)C ZINC000291447223 198024426 /nfs/dbraw/zinc/02/44/26/198024426.db2.gz KVNPTPQGAIMXOF-UHFFFAOYSA-N 2 2 267.377 -0.117 20 0 CBADLP Cn1ccnc(N2CC[NH+](CCC[NH3+])CC2)c1=O ZINC000061746882 351571487 /nfs/dbraw/zinc/57/14/87/351571487.db2.gz LAURVSVTNZOFHM-UHFFFAOYSA-N 2 2 251.334 -0.749 20 0 CBADLP C[C@@]1(C(=O)N2CC[NH+](CCO)CC2)CCC[NH2+]C1 ZINC000062853667 351576984 /nfs/dbraw/zinc/57/69/84/351576984.db2.gz SWKKZTRAWDJLQD-CYBMUJFWSA-N 2 2 255.362 -0.487 20 0 CBADLP CSCC[C@H]([NH3+])C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000062976690 351577625 /nfs/dbraw/zinc/57/76/25/351577625.db2.gz PDRZFRMGNQXGTF-NEPJUHHUSA-N 2 2 287.429 0.000 20 0 CBADLP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1CCN1C(=O)CNC1=O ZINC000063195076 351581790 /nfs/dbraw/zinc/58/17/90/351581790.db2.gz ANKLWPHNDGFLKU-NXEZZACHSA-N 2 2 254.334 -0.260 20 0 CBADLP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1CCN1C(=O)CNC1=O ZINC000063195076 351581793 /nfs/dbraw/zinc/58/17/93/351581793.db2.gz ANKLWPHNDGFLKU-NXEZZACHSA-N 2 2 254.334 -0.260 20 0 CBADLP O=C(NCC[NH+]1CCOCC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000070252038 351637971 /nfs/dbraw/zinc/63/79/71/351637971.db2.gz QDHMESNGUBMSPH-LBPRGKRZSA-N 2 2 267.373 -0.176 20 0 CBADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CCCO2)C1 ZINC000071146882 351643333 /nfs/dbraw/zinc/64/33/33/351643333.db2.gz MDYIOQNCDGWLIS-RYUDHWBXSA-N 2 2 255.362 -0.177 20 0 CBADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2CCCO2)C1 ZINC000071146882 351643337 /nfs/dbraw/zinc/64/33/37/351643337.db2.gz MDYIOQNCDGWLIS-RYUDHWBXSA-N 2 2 255.362 -0.177 20 0 CBADLP CC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)NC(=O)NC)C1 ZINC000072859627 351652010 /nfs/dbraw/zinc/65/20/10/351652010.db2.gz QJMDEEVMZNBWHI-JTQLQIEISA-N 2 2 256.350 -0.284 20 0 CBADLP CC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)NC(=O)NC)C1 ZINC000072859627 351652013 /nfs/dbraw/zinc/65/20/13/351652013.db2.gz QJMDEEVMZNBWHI-JTQLQIEISA-N 2 2 256.350 -0.284 20 0 CBADLP CC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NC(=O)NC)C1 ZINC000072859627 351652015 /nfs/dbraw/zinc/65/20/15/351652015.db2.gz QJMDEEVMZNBWHI-JTQLQIEISA-N 2 2 256.350 -0.284 20 0 CBADLP CC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NC(=O)NC)C1 ZINC000072859627 351652018 /nfs/dbraw/zinc/65/20/18/351652018.db2.gz QJMDEEVMZNBWHI-JTQLQIEISA-N 2 2 256.350 -0.284 20 0 CBADLP CNC(=O)C[NH+]1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000074270510 351659340 /nfs/dbraw/zinc/65/93/40/351659340.db2.gz JFDAKXFNTWDTLV-UHFFFAOYSA-N 2 2 263.345 -0.039 20 0 CBADLP CC(C)COC[C@@H](O)C[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000068805403 351621558 /nfs/dbraw/zinc/62/15/58/351621558.db2.gz IOUSKRBTNNJBMI-KGLIPLIRSA-N 2 2 273.421 -0.145 20 0 CBADLP CC(C)COC[C@@H](O)C[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000068805403 351621561 /nfs/dbraw/zinc/62/15/61/351621561.db2.gz IOUSKRBTNNJBMI-KGLIPLIRSA-N 2 2 273.421 -0.145 20 0 CBADLP NC(=O)NC(=O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000080959976 351701412 /nfs/dbraw/zinc/70/14/12/351701412.db2.gz NELWUWITZDRHPS-MRVPVSSYSA-N 2 2 251.290 -0.216 20 0 CBADLP NC(=O)NC(=O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000080959976 351701414 /nfs/dbraw/zinc/70/14/14/351701414.db2.gz NELWUWITZDRHPS-MRVPVSSYSA-N 2 2 251.290 -0.216 20 0 CBADLP CC[NH+]1CCN(CCCNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000080989514 351702013 /nfs/dbraw/zinc/70/20/13/351702013.db2.gz NVTPUXKAJXGRJZ-CQSZACIVSA-N 2 2 298.431 -0.539 20 0 CBADLP CC[NH+]1CCN(CCCNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000080989514 351702017 /nfs/dbraw/zinc/70/20/17/351702017.db2.gz NVTPUXKAJXGRJZ-CQSZACIVSA-N 2 2 298.431 -0.539 20 0 CBADLP CCN1CC[NH+](CCCNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000080989514 351702020 /nfs/dbraw/zinc/70/20/20/351702020.db2.gz NVTPUXKAJXGRJZ-CQSZACIVSA-N 2 2 298.431 -0.539 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000081458496 351707603 /nfs/dbraw/zinc/70/76/03/351707603.db2.gz FRTTXWDNIJYTOM-KGLIPLIRSA-N 2 2 297.399 -0.502 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000081458496 351707605 /nfs/dbraw/zinc/70/76/05/351707605.db2.gz FRTTXWDNIJYTOM-KGLIPLIRSA-N 2 2 297.399 -0.502 20 0 CBADLP CCN1CC[NH+](CCCNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000080989514 351702023 /nfs/dbraw/zinc/70/20/23/351702023.db2.gz NVTPUXKAJXGRJZ-CQSZACIVSA-N 2 2 298.431 -0.539 20 0 CBADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N2CCNC(=O)C2)[C@H](C)C1 ZINC000081095453 351703123 /nfs/dbraw/zinc/70/31/23/351703123.db2.gz ARXRWVYODPCKKG-CHWSQXEVSA-N 2 2 296.415 -0.393 20 0 CBADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N2CCNC(=O)C2)[C@H](C)C1 ZINC000081095453 351703124 /nfs/dbraw/zinc/70/31/24/351703124.db2.gz ARXRWVYODPCKKG-CHWSQXEVSA-N 2 2 296.415 -0.393 20 0 CBADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N2CCNC(=O)C2)[C@H](C)C1 ZINC000081095453 351703127 /nfs/dbraw/zinc/70/31/27/351703127.db2.gz ARXRWVYODPCKKG-CHWSQXEVSA-N 2 2 296.415 -0.393 20 0 CBADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N2CCNC(=O)C2)[C@H](C)C1 ZINC000081095453 351703128 /nfs/dbraw/zinc/70/31/28/351703128.db2.gz ARXRWVYODPCKKG-CHWSQXEVSA-N 2 2 296.415 -0.393 20 0 CBADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N2CCNC(=O)C2)[C@H](C)C1 ZINC000081095451 351703192 /nfs/dbraw/zinc/70/31/92/351703192.db2.gz ARXRWVYODPCKKG-OLZOCXBDSA-N 2 2 296.415 -0.393 20 0 CBADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N2CCNC(=O)C2)[C@H](C)C1 ZINC000081095451 351703194 /nfs/dbraw/zinc/70/31/94/351703194.db2.gz ARXRWVYODPCKKG-OLZOCXBDSA-N 2 2 296.415 -0.393 20 0 CBADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N2CCNC(=O)C2)[C@H](C)C1 ZINC000081095451 351703196 /nfs/dbraw/zinc/70/31/96/351703196.db2.gz ARXRWVYODPCKKG-OLZOCXBDSA-N 2 2 296.415 -0.393 20 0 CBADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N2CCNC(=O)C2)[C@H](C)C1 ZINC000081095451 351703198 /nfs/dbraw/zinc/70/31/98/351703198.db2.gz ARXRWVYODPCKKG-OLZOCXBDSA-N 2 2 296.415 -0.393 20 0 CBADLP C[C@H](CC[NH+]1CCOCC1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000081395065 351705172 /nfs/dbraw/zinc/70/51/72/351705172.db2.gz UDXPISFJIVIMCF-CHWSQXEVSA-N 2 2 285.388 -0.456 20 0 CBADLP C[C@H](CC[NH+]1CCOCC1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000081395065 351705176 /nfs/dbraw/zinc/70/51/76/351705176.db2.gz UDXPISFJIVIMCF-CHWSQXEVSA-N 2 2 285.388 -0.456 20 0 CBADLP C[C@H](CC[NH+]1CCOCC1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000081395060 351705554 /nfs/dbraw/zinc/70/55/54/351705554.db2.gz UDXPISFJIVIMCF-OLZOCXBDSA-N 2 2 285.388 -0.456 20 0 CBADLP C[C@H](CC[NH+]1CCOCC1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000081395060 351705555 /nfs/dbraw/zinc/70/55/55/351705555.db2.gz UDXPISFJIVIMCF-OLZOCXBDSA-N 2 2 285.388 -0.456 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)C(C)(C)[NH3+])CC1 ZINC000076304334 351676382 /nfs/dbraw/zinc/67/63/82/351676382.db2.gz LNUAZKMFLYDSEC-UHFFFAOYSA-N 2 2 256.350 -0.996 20 0 CBADLP C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@H]1COCC[NH2+]1 ZINC000088358087 351724176 /nfs/dbraw/zinc/72/41/76/351724176.db2.gz LTZAEPFINFMHSG-NWDGAFQWSA-N 2 2 255.362 -0.035 20 0 CBADLP CCn1ncnc1C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000088602564 351726055 /nfs/dbraw/zinc/72/60/55/351726055.db2.gz KMEGQEHEOVSUQZ-NSHDSACASA-N 2 2 280.376 -0.415 20 0 CBADLP CCn1ncnc1C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000088602564 351726058 /nfs/dbraw/zinc/72/60/58/351726058.db2.gz KMEGQEHEOVSUQZ-NSHDSACASA-N 2 2 280.376 -0.415 20 0 CBADLP [NH3+]C1CC[NH+](CC(=O)N2CCN(C(=O)C3CC3)CC2)CC1 ZINC000092714065 351751802 /nfs/dbraw/zinc/75/18/02/351751802.db2.gz IDWUFDHNZCARPO-UHFFFAOYSA-N 2 2 294.399 -0.510 20 0 CBADLP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@H]1COCC[NH2+]1 ZINC000092629914 351751831 /nfs/dbraw/zinc/75/18/31/351751831.db2.gz PZZCNPUXBGIBIA-RYUDHWBXSA-N 2 2 255.362 -0.083 20 0 CBADLP CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@@H]1COCC[NH2+]1 ZINC000092629914 351751835 /nfs/dbraw/zinc/75/18/35/351751835.db2.gz PZZCNPUXBGIBIA-RYUDHWBXSA-N 2 2 255.362 -0.083 20 0 CBADLP CN(CC(=O)N1CC[NH2+]CC1)Cc1c[nH+]cn1C ZINC000090168702 351737543 /nfs/dbraw/zinc/73/75/43/351737543.db2.gz TYHXUOQWFMRHNY-UHFFFAOYSA-N 2 2 251.334 -0.716 20 0 CBADLP CCC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)NC(N)=O)C1 ZINC000081570406 351708533 /nfs/dbraw/zinc/70/85/33/351708533.db2.gz RVLXQIRAOUHFQR-JTQLQIEISA-N 2 2 256.350 -0.155 20 0 CBADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)NC(N)=O)C1 ZINC000081570406 351708537 /nfs/dbraw/zinc/70/85/37/351708537.db2.gz RVLXQIRAOUHFQR-JTQLQIEISA-N 2 2 256.350 -0.155 20 0 CBADLP CCC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC000081570406 351708539 /nfs/dbraw/zinc/70/85/39/351708539.db2.gz RVLXQIRAOUHFQR-JTQLQIEISA-N 2 2 256.350 -0.155 20 0 CBADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC000081570406 351708541 /nfs/dbraw/zinc/70/85/41/351708541.db2.gz RVLXQIRAOUHFQR-JTQLQIEISA-N 2 2 256.350 -0.155 20 0 CBADLP CNC(=O)C[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000104963818 351791593 /nfs/dbraw/zinc/79/15/93/351791593.db2.gz WWMZFLHMQJYPNK-UHFFFAOYSA-N 2 2 264.329 -0.042 20 0 CBADLP COC(=O)[C@@H](CC(C)C)NC(=O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107575118 351794994 /nfs/dbraw/zinc/79/49/94/351794994.db2.gz GXDDWPLMOBJOOJ-FRRDWIJNSA-N 2 2 297.399 -0.159 20 0 CBADLP COC(=O)[C@@H](CC(C)C)NC(=O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107575118 351794998 /nfs/dbraw/zinc/79/49/98/351794998.db2.gz GXDDWPLMOBJOOJ-FRRDWIJNSA-N 2 2 297.399 -0.159 20 0 CBADLP COC(=O)C1CCN(C(=O)C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000107575331 351795079 /nfs/dbraw/zinc/79/50/79/351795079.db2.gz CRELVSDENMGCAW-STQMWFEESA-N 2 2 295.383 -0.451 20 0 CBADLP O=C(C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)NC(=O)NCc1ccco1 ZINC000107577341 351796222 /nfs/dbraw/zinc/79/62/22/351796222.db2.gz IMEKODPNMXVHGP-GHMZBOCLSA-N 2 2 292.339 -0.243 20 0 CBADLP O=C(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)NC(=O)NCc1ccco1 ZINC000107577337 351796272 /nfs/dbraw/zinc/79/62/72/351796272.db2.gz IMEKODPNMXVHGP-PHIMTYICSA-N 2 2 292.339 -0.243 20 0 CBADLP O=C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)NC(=O)NCc1ccco1 ZINC000107577337 351796274 /nfs/dbraw/zinc/79/62/74/351796274.db2.gz IMEKODPNMXVHGP-PHIMTYICSA-N 2 2 292.339 -0.243 20 0 CBADLP C[NH+]1CCN(CC(=O)N2CC[NH+](CC3CC3)CC2)CC1 ZINC000109954055 351798543 /nfs/dbraw/zinc/79/85/43/351798543.db2.gz ULJAVCBAJSIKMF-UHFFFAOYSA-N 2 2 280.416 -0.212 20 0 CBADLP CC[C@@H]1COCC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000093174456 351757717 /nfs/dbraw/zinc/75/77/17/351757717.db2.gz IQZGWLZTSLCMOF-GFCCVEGCSA-N 2 2 255.362 -0.129 20 0 CBADLP CC[C@@H]1COCC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000093174456 351757720 /nfs/dbraw/zinc/75/77/20/351757720.db2.gz IQZGWLZTSLCMOF-GFCCVEGCSA-N 2 2 255.362 -0.129 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCOC3(CCOCC3)C2)CC1 ZINC000093191227 351758468 /nfs/dbraw/zinc/75/84/68/351758468.db2.gz SLSDHICKZUOPGP-UHFFFAOYSA-N 2 2 297.399 -0.358 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CCOC3(CCOCC3)C2)CC1 ZINC000093191227 351758471 /nfs/dbraw/zinc/75/84/71/351758471.db2.gz SLSDHICKZUOPGP-UHFFFAOYSA-N 2 2 297.399 -0.358 20 0 CBADLP CS(=O)(=O)N1CCC[C@@H](C[N@@H+]2CC[C@H]([NH3+])C2)C1 ZINC000093698370 351761243 /nfs/dbraw/zinc/76/12/43/351761243.db2.gz WSARHOLLCCDJPU-QWRGUYRKSA-N 2 2 261.391 -0.309 20 0 CBADLP CS(=O)(=O)N1CCC[C@@H](C[N@H+]2CC[C@H]([NH3+])C2)C1 ZINC000093698370 351761245 /nfs/dbraw/zinc/76/12/45/351761245.db2.gz WSARHOLLCCDJPU-QWRGUYRKSA-N 2 2 261.391 -0.309 20 0 CBADLP [NH3+]C[C@H]1CC[C@@H](C(=O)NCCCn2cc[nH+]c2)O1 ZINC000094565012 351764720 /nfs/dbraw/zinc/76/47/20/351764720.db2.gz HNQUJADJYSCMKN-MNOVXSKESA-N 2 2 252.318 -0.104 20 0 CBADLP C[C@H]1[NH2+]CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000094648741 351765755 /nfs/dbraw/zinc/76/57/55/351765755.db2.gz NCRNAYWPZDYPLV-IJLUTSLNSA-N 2 2 255.362 -0.179 20 0 CBADLP C[C@H]1[NH2+]CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000094648741 351765760 /nfs/dbraw/zinc/76/57/60/351765760.db2.gz NCRNAYWPZDYPLV-IJLUTSLNSA-N 2 2 255.362 -0.179 20 0 CBADLP COC(=O)CCC[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000116351123 351821675 /nfs/dbraw/zinc/82/16/75/351821675.db2.gz GQIIDEFNNDMEEJ-UHFFFAOYSA-N 2 2 271.361 -0.355 20 0 CBADLP CNC(=O)C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000112636477 351809101 /nfs/dbraw/zinc/80/91/01/351809101.db2.gz JBIBPHROVBOASP-CYBMUJFWSA-N 2 2 268.405 -0.166 20 0 CBADLP CNC(=O)C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000112636477 351809104 /nfs/dbraw/zinc/80/91/04/351809104.db2.gz JBIBPHROVBOASP-CYBMUJFWSA-N 2 2 268.405 -0.166 20 0 CBADLP CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000113515062 351815117 /nfs/dbraw/zinc/81/51/17/351815117.db2.gz ZZZQDLQORVNCGL-JTQLQIEISA-N 2 2 256.350 -0.284 20 0 CBADLP CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000113515062 351815118 /nfs/dbraw/zinc/81/51/18/351815118.db2.gz ZZZQDLQORVNCGL-JTQLQIEISA-N 2 2 256.350 -0.284 20 0 CBADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCC(=O)OC)[C@H](C)C1 ZINC000125764226 351858621 /nfs/dbraw/zinc/85/86/21/351858621.db2.gz PYPIYAFDGYSTEO-VXGBXAGGSA-N 2 2 285.388 -0.062 20 0 CBADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCC(=O)OC)[C@H](C)C1 ZINC000125764226 351858622 /nfs/dbraw/zinc/85/86/22/351858622.db2.gz PYPIYAFDGYSTEO-VXGBXAGGSA-N 2 2 285.388 -0.062 20 0 CBADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCC(=O)OC)[C@H](C)C1 ZINC000125764226 351858623 /nfs/dbraw/zinc/85/86/23/351858623.db2.gz PYPIYAFDGYSTEO-VXGBXAGGSA-N 2 2 285.388 -0.062 20 0 CBADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCC(=O)OC)[C@H](C)C1 ZINC000125764226 351858625 /nfs/dbraw/zinc/85/86/25/351858625.db2.gz PYPIYAFDGYSTEO-VXGBXAGGSA-N 2 2 285.388 -0.062 20 0 CBADLP O=C1CC[NH+](C/C=C/C[N@H+]2CCNC(=O)CC2)CCN1 ZINC000126158195 351859867 /nfs/dbraw/zinc/85/98/67/351859867.db2.gz WLBCRULDCJNHDA-OWOJBTEDSA-N 2 2 280.372 -0.814 20 0 CBADLP CC(=O)N[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000120717908 351842543 /nfs/dbraw/zinc/84/25/43/351842543.db2.gz JMIHVZRWKBWBMQ-CYBMUJFWSA-N 2 2 282.388 -0.639 20 0 CBADLP CC(=O)N[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000120717908 351842546 /nfs/dbraw/zinc/84/25/46/351842546.db2.gz JMIHVZRWKBWBMQ-CYBMUJFWSA-N 2 2 282.388 -0.639 20 0 CBADLP C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000120973875 351845390 /nfs/dbraw/zinc/84/53/90/351845390.db2.gz QOQYOXIZBJZRBA-NWDGAFQWSA-N 2 2 282.388 -0.654 20 0 CBADLP C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000120973875 351845391 /nfs/dbraw/zinc/84/53/91/351845391.db2.gz QOQYOXIZBJZRBA-NWDGAFQWSA-N 2 2 282.388 -0.654 20 0 CBADLP CSCC[C@@H]([NH3+])C(=O)N1CC[NH+](CCO)CC1 ZINC000130817591 351881766 /nfs/dbraw/zinc/88/17/66/351881766.db2.gz BPFHFDOWALEQKL-SNVBAGLBSA-N 2 2 261.391 -0.797 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000129127410 351868536 /nfs/dbraw/zinc/86/85/36/351868536.db2.gz LKXVSINCSHAUSF-RYUDHWBXSA-N 2 2 284.404 -0.217 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000129127410 351868539 /nfs/dbraw/zinc/86/85/39/351868539.db2.gz LKXVSINCSHAUSF-RYUDHWBXSA-N 2 2 284.404 -0.217 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2C[C@@H](O)C2(C)C)CC1 ZINC000129552862 351871621 /nfs/dbraw/zinc/87/16/21/351871621.db2.gz DPFKVVJNSLPKRN-WDEREUQCSA-N 2 2 255.362 -0.491 20 0 CBADLP C[C@@H]1C[C@@H]([NH+](C)CC(=O)N2CCNC(=O)C2)CC[N@@H+]1C ZINC000123837555 187110765 /nfs/dbraw/zinc/11/07/65/187110765.db2.gz XIOAMPSUSGEERT-NEPJUHHUSA-N 2 2 282.388 -0.641 20 0 CBADLP C[C@@H]1C[C@@H]([NH+](C)CC(=O)N2CCNC(=O)C2)CC[N@H+]1C ZINC000123837555 187110766 /nfs/dbraw/zinc/11/07/66/187110766.db2.gz XIOAMPSUSGEERT-NEPJUHHUSA-N 2 2 282.388 -0.641 20 0 CBADLP C[C@@H]1C[C@@H]([N@H+](C)CC(=O)N2CCNC(=O)C2)CC[NH+]1C ZINC000123837555 187110767 /nfs/dbraw/zinc/11/07/67/187110767.db2.gz XIOAMPSUSGEERT-NEPJUHHUSA-N 2 2 282.388 -0.641 20 0 CBADLP C[C@@H]1C[C@@H]([N@@H+](C)CC(=O)N2CCNC(=O)C2)CC[NH+]1C ZINC000123837555 187110768 /nfs/dbraw/zinc/11/07/68/187110768.db2.gz XIOAMPSUSGEERT-NEPJUHHUSA-N 2 2 282.388 -0.641 20 0 CBADLP [NH3+]Cc1cc(C(=O)NCCC[NH+]2CCOCC2)ccn1 ZINC000129965324 351875781 /nfs/dbraw/zinc/87/57/81/351875781.db2.gz RSYKMOUNQSCJMZ-UHFFFAOYSA-N 2 2 278.356 -0.008 20 0 CBADLP CC[C@@H]([NH3+])C(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000130287305 351878088 /nfs/dbraw/zinc/87/80/88/351878088.db2.gz CWWNCIJASULSFW-CMPLNLGQSA-N 2 2 282.388 -0.465 20 0 CBADLP C[C@H](C(=O)NC[C@](C)(O)C[NH+](C)C)[NH+]1CCSCC1 ZINC000152846222 351940466 /nfs/dbraw/zinc/94/04/66/351940466.db2.gz XJSAESSVPVDFMH-YPMHNXCESA-N 2 2 289.445 -0.148 20 0 CBADLP CSCC[C@@H]([NH3+])C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000131271066 351884867 /nfs/dbraw/zinc/88/48/67/351884867.db2.gz ZSADYVGROYMPEP-VHSXEESVSA-N 2 2 261.391 -0.486 20 0 CBADLP CSCC[C@@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000131271066 351884870 /nfs/dbraw/zinc/88/48/70/351884870.db2.gz ZSADYVGROYMPEP-VHSXEESVSA-N 2 2 261.391 -0.486 20 0 CBADLP O=C(CC[C@H]1CC[NH2+]C1)NCC[NH+]1CCOCC1 ZINC000134471117 351906461 /nfs/dbraw/zinc/90/64/61/351906461.db2.gz PUBRFHARGJNPMY-LBPRGKRZSA-N 2 2 255.362 -0.176 20 0 CBADLP COC(=O)CNC(=O)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000158065896 351957130 /nfs/dbraw/zinc/95/71/30/351957130.db2.gz COMWYPSAOKUVCM-LLVKDONJSA-N 2 2 271.361 -0.451 20 0 CBADLP COC(=O)CNC(=O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000158065896 351957132 /nfs/dbraw/zinc/95/71/32/351957132.db2.gz COMWYPSAOKUVCM-LLVKDONJSA-N 2 2 271.361 -0.451 20 0 CBADLP COC(=O)CNC(=O)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000158065896 351957135 /nfs/dbraw/zinc/95/71/35/351957135.db2.gz COMWYPSAOKUVCM-LLVKDONJSA-N 2 2 271.361 -0.451 20 0 CBADLP COC(=O)CNC(=O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000158065896 351957137 /nfs/dbraw/zinc/95/71/37/351957137.db2.gz COMWYPSAOKUVCM-LLVKDONJSA-N 2 2 271.361 -0.451 20 0 CBADLP C[C@H](O)[C@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000162771376 351979655 /nfs/dbraw/zinc/97/96/55/351979655.db2.gz WLITWENNVLRSEY-RYUDHWBXSA-N 2 2 255.362 -0.537 20 0 CBADLP C[C@H](O)[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000162771376 351979660 /nfs/dbraw/zinc/97/96/60/351979660.db2.gz WLITWENNVLRSEY-RYUDHWBXSA-N 2 2 255.362 -0.537 20 0 CBADLP CCCNC(=O)NC(=O)C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000163183241 351980755 /nfs/dbraw/zinc/98/07/55/351980755.db2.gz UPGZRKWBKNWHIX-ZJUUUORDSA-N 2 2 256.350 -0.109 20 0 CBADLP CCCNC(=O)NC(=O)C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000163183241 351980759 /nfs/dbraw/zinc/98/07/59/351980759.db2.gz UPGZRKWBKNWHIX-ZJUUUORDSA-N 2 2 256.350 -0.109 20 0 CBADLP CC[C@@H](C)[N@H+](C)CCNC(=O)CN1CC[NH2+]CC1=O ZINC000167199748 351988316 /nfs/dbraw/zinc/98/83/16/351988316.db2.gz ZCLNAYUOTRUGBP-LLVKDONJSA-N 2 2 270.377 -0.735 20 0 CBADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)CN1CC[NH2+]CC1=O ZINC000167199748 351988321 /nfs/dbraw/zinc/98/83/21/351988321.db2.gz ZCLNAYUOTRUGBP-LLVKDONJSA-N 2 2 270.377 -0.735 20 0 CBADLP CC[C@@H]1CN(C(=O)[C@H]2CSC[NH2+]2)CC[N@@H+]1C[C@@H](C)O ZINC000168001225 351992175 /nfs/dbraw/zinc/99/21/75/351992175.db2.gz QCZJSUJNICKFRI-IJLUTSLNSA-N 2 2 287.429 -0.048 20 0 CBADLP CC[C@@H]1CN(C(=O)[C@H]2CSC[NH2+]2)CC[N@H+]1C[C@@H](C)O ZINC000168001225 351992177 /nfs/dbraw/zinc/99/21/77/351992177.db2.gz QCZJSUJNICKFRI-IJLUTSLNSA-N 2 2 287.429 -0.048 20 0 CBADLP CC[NH+](CC)C[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC000174217797 352045834 /nfs/dbraw/zinc/04/58/34/352045834.db2.gz JWVGLEBQUFDNPH-SNVBAGLBSA-N 2 2 256.350 -0.155 20 0 CBADLP CC[NH+](CC)C[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC000174217797 352045835 /nfs/dbraw/zinc/04/58/35/352045835.db2.gz JWVGLEBQUFDNPH-SNVBAGLBSA-N 2 2 256.350 -0.155 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH+]1CCOCC1 ZINC000174590783 352047873 /nfs/dbraw/zinc/04/78/73/352047873.db2.gz ZEUGIDVZSDTFPD-NWDGAFQWSA-N 2 2 271.361 -0.846 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH+]1CCOCC1 ZINC000174590783 352047875 /nfs/dbraw/zinc/04/78/75/352047875.db2.gz ZEUGIDVZSDTFPD-NWDGAFQWSA-N 2 2 271.361 -0.846 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](CC3CC3)CC2)C1 ZINC000174700478 352050118 /nfs/dbraw/zinc/05/01/18/352050118.db2.gz ZLPGFUFGRXXJNJ-ZDUSSCGKSA-N 2 2 267.373 -0.129 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N2CC[NH+](CC3CC3)CC2)C1 ZINC000174700478 352050122 /nfs/dbraw/zinc/05/01/22/352050122.db2.gz ZLPGFUFGRXXJNJ-ZDUSSCGKSA-N 2 2 267.373 -0.129 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](C3CC3)CCO2)C1 ZINC000174868989 352051821 /nfs/dbraw/zinc/05/18/21/352051821.db2.gz VLTGYXQPAWGRJC-OLZOCXBDSA-N 2 2 283.372 -0.704 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](C3CC3)CCO2)C1 ZINC000174868989 352051824 /nfs/dbraw/zinc/05/18/24/352051824.db2.gz VLTGYXQPAWGRJC-OLZOCXBDSA-N 2 2 283.372 -0.704 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)C1 ZINC000174868989 352051829 /nfs/dbraw/zinc/05/18/29/352051829.db2.gz VLTGYXQPAWGRJC-OLZOCXBDSA-N 2 2 283.372 -0.704 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)C1 ZINC000174868989 352051832 /nfs/dbraw/zinc/05/18/32/352051832.db2.gz VLTGYXQPAWGRJC-OLZOCXBDSA-N 2 2 283.372 -0.704 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)C[NH+]1CCOCC1 ZINC000175103379 352053012 /nfs/dbraw/zinc/05/30/12/352053012.db2.gz PPYSUQZQRGCOPW-OLZOCXBDSA-N 2 2 285.388 -0.599 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C[NH+]1CCOCC1 ZINC000175103379 352053016 /nfs/dbraw/zinc/05/30/16/352053016.db2.gz PPYSUQZQRGCOPW-OLZOCXBDSA-N 2 2 285.388 -0.599 20 0 CBADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000175382118 352055873 /nfs/dbraw/zinc/05/58/73/352055873.db2.gz WBHUHQYQOFXCDO-NSHDSACASA-N 2 2 271.361 -0.356 20 0 CBADLP CC[N@H+](C)CCNC(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000171726501 352015484 /nfs/dbraw/zinc/01/54/84/352015484.db2.gz ZYYACYDWNCIPNP-CYBMUJFWSA-N 2 2 285.436 -0.127 20 0 CBADLP CC[N@@H+](C)CCNC(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000171726501 352015487 /nfs/dbraw/zinc/01/54/87/352015487.db2.gz ZYYACYDWNCIPNP-CYBMUJFWSA-N 2 2 285.436 -0.127 20 0 CBADLP CC[NH+](CC)CC(=O)N1CC[NH+](C[C@H](O)COC)CC1 ZINC000171973174 352019439 /nfs/dbraw/zinc/01/94/39/352019439.db2.gz ASOOCISXEACLFO-ZDUSSCGKSA-N 2 2 287.404 -0.520 20 0 CBADLP Cn1c(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)cc(=O)n(C)c1=O ZINC000172197911 352022135 /nfs/dbraw/zinc/02/21/35/352022135.db2.gz HWVVYMCBJFHUGD-LLVKDONJSA-N 2 2 280.372 -0.533 20 0 CBADLP Cn1c(C[N@H+]2CC[C@H](C[NH+](C)C)C2)cc(=O)n(C)c1=O ZINC000172197911 352022137 /nfs/dbraw/zinc/02/21/37/352022137.db2.gz HWVVYMCBJFHUGD-LLVKDONJSA-N 2 2 280.372 -0.533 20 0 CBADLP C[C@H]1C[C@@H]([NH+](C)Cc2cc(=O)n(C)c(=O)n2C)CC[N@@H+]1C ZINC000172848347 352030909 /nfs/dbraw/zinc/03/09/09/352030909.db2.gz XRRXUZGMWKXNNA-RYUDHWBXSA-N 2 2 294.399 -0.002 20 0 CBADLP C[C@H]1C[C@@H]([NH+](C)Cc2cc(=O)n(C)c(=O)n2C)CC[N@H+]1C ZINC000172848347 352030911 /nfs/dbraw/zinc/03/09/11/352030911.db2.gz XRRXUZGMWKXNNA-RYUDHWBXSA-N 2 2 294.399 -0.002 20 0 CBADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cc(=O)n(C)c(=O)n2C)CC[NH+]1C ZINC000172848347 352030915 /nfs/dbraw/zinc/03/09/15/352030915.db2.gz XRRXUZGMWKXNNA-RYUDHWBXSA-N 2 2 294.399 -0.002 20 0 CBADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cc(=O)n(C)c(=O)n2C)CC[NH+]1C ZINC000172848347 352030917 /nfs/dbraw/zinc/03/09/17/352030917.db2.gz XRRXUZGMWKXNNA-RYUDHWBXSA-N 2 2 294.399 -0.002 20 0 CBADLP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC000178201151 352077495 /nfs/dbraw/zinc/07/74/95/352077495.db2.gz QLBSIMUOBZSIIG-ZIAGYGMSSA-N 2 2 280.416 -0.023 20 0 CBADLP C[N@H+]1CCCC[C@@H]1CN1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC000178201151 352077497 /nfs/dbraw/zinc/07/74/97/352077497.db2.gz QLBSIMUOBZSIIG-ZIAGYGMSSA-N 2 2 280.416 -0.023 20 0 CBADLP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000186899561 352134300 /nfs/dbraw/zinc/13/43/00/352134300.db2.gz QJXJRDOUZMQBOE-STQMWFEESA-N 2 2 299.415 -0.379 20 0 CBADLP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000186899561 352134302 /nfs/dbraw/zinc/13/43/02/352134302.db2.gz QJXJRDOUZMQBOE-STQMWFEESA-N 2 2 299.415 -0.379 20 0 CBADLP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000186899561 352134303 /nfs/dbraw/zinc/13/43/03/352134303.db2.gz QJXJRDOUZMQBOE-STQMWFEESA-N 2 2 299.415 -0.379 20 0 CBADLP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000186899561 352134305 /nfs/dbraw/zinc/13/43/05/352134305.db2.gz QJXJRDOUZMQBOE-STQMWFEESA-N 2 2 299.415 -0.379 20 0 CBADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H]1CCC[NH2+]C1 ZINC000178881676 352084847 /nfs/dbraw/zinc/08/48/47/352084847.db2.gz YRLLPXRHYNUMLT-STQMWFEESA-N 2 2 268.405 -0.262 20 0 CBADLP C[C@H](O)[C@H]1CCCC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000180484526 352094788 /nfs/dbraw/zinc/09/47/88/352094788.db2.gz LZNSEQNNXUAMBW-QWHCGFSZSA-N 2 2 269.389 -0.004 20 0 CBADLP C[C@H](O)[C@H]1CCCC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000180484526 352094789 /nfs/dbraw/zinc/09/47/89/352094789.db2.gz LZNSEQNNXUAMBW-QWHCGFSZSA-N 2 2 269.389 -0.004 20 0 CBADLP C[C@H]1CCC[C@@H](CO)[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000181385140 352099235 /nfs/dbraw/zinc/09/92/35/352099235.db2.gz CMQGFCLQAGPRGI-STQMWFEESA-N 2 2 269.389 -0.004 20 0 CBADLP C[C@H]1CCC[C@@H](CO)[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000181385140 352099236 /nfs/dbraw/zinc/09/92/36/352099236.db2.gz CMQGFCLQAGPRGI-STQMWFEESA-N 2 2 269.389 -0.004 20 0 CBADLP C[C@@H](O)CC[NH+](C)CC(O)C[N@@H+](C)CC[C@@H](C)O ZINC000181801049 352100931 /nfs/dbraw/zinc/10/09/31/352100931.db2.gz OIYFBXKVYGPGBN-VXGBXAGGSA-N 2 2 262.394 -0.247 20 0 CBADLP C[C@@H](O)CC[NH+](C)CC(O)C[N@H+](C)CC[C@@H](C)O ZINC000181801049 352100934 /nfs/dbraw/zinc/10/09/34/352100934.db2.gz OIYFBXKVYGPGBN-VXGBXAGGSA-N 2 2 262.394 -0.247 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCO[C@]3(CCOC3)C2)CC1 ZINC000185140658 352116285 /nfs/dbraw/zinc/11/62/85/352116285.db2.gz AAPUZLBHMSXDIA-CQSZACIVSA-N 2 2 283.372 -0.748 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CCO[C@]3(CCOC3)C2)CC1 ZINC000185140658 352116288 /nfs/dbraw/zinc/11/62/88/352116288.db2.gz AAPUZLBHMSXDIA-CQSZACIVSA-N 2 2 283.372 -0.748 20 0 CBADLP COCCO[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000189735929 352173356 /nfs/dbraw/zinc/17/33/56/352173356.db2.gz NOVHQSKCRUHNPR-CYBMUJFWSA-N 2 2 285.388 -0.502 20 0 CBADLP COCCO[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000189735929 352173360 /nfs/dbraw/zinc/17/33/60/352173360.db2.gz NOVHQSKCRUHNPR-CYBMUJFWSA-N 2 2 285.388 -0.502 20 0 CBADLP C[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)[C@H](C(N)=O)C1 ZINC000187417930 352140288 /nfs/dbraw/zinc/14/02/88/352140288.db2.gz DSYKCAWBELNYND-NEPJUHHUSA-N 2 2 282.388 -0.654 20 0 CBADLP C[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)[C@H](C(N)=O)C1 ZINC000187417930 352140292 /nfs/dbraw/zinc/14/02/92/352140292.db2.gz DSYKCAWBELNYND-NEPJUHHUSA-N 2 2 282.388 -0.654 20 0 CBADLP CO[C@@H]1C[NH2+][C@@H](C(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)C1 ZINC000187976754 352144860 /nfs/dbraw/zinc/14/48/60/352144860.db2.gz CPHMAOSKBMOFHD-IGQOVBAYSA-N 2 2 297.399 -0.458 20 0 CBADLP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CC[NH+](CCOC(C)C)CC2)C1 ZINC000187964357 352145422 /nfs/dbraw/zinc/14/54/22/352145422.db2.gz ORXPTJXNUHCNGX-UONOGXRCSA-N 2 2 299.415 -0.068 20 0 CBADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000221298270 352240261 /nfs/dbraw/zinc/24/02/61/352240261.db2.gz NLDBNJNHFPKPER-UWVGGRQHSA-N 2 2 256.350 -0.238 20 0 CBADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000221298270 352240262 /nfs/dbraw/zinc/24/02/62/352240262.db2.gz NLDBNJNHFPKPER-UWVGGRQHSA-N 2 2 256.350 -0.238 20 0 CBADLP C[N@H+]1C[C@@H]2C[NH+](CC(=O)N3CC[NH+](C)CC3)C[C@@H]2C1 ZINC000193620689 352207756 /nfs/dbraw/zinc/20/77/56/352207756.db2.gz ZHYCPAZSRGANLT-BETUJISGSA-N 3 2 266.389 -0.746 20 0 CBADLP C[N@@H+]1C[C@@H]2C[NH+](CC(=O)N3CC[NH+](C)CC3)C[C@@H]2C1 ZINC000193620689 352207757 /nfs/dbraw/zinc/20/77/57/352207757.db2.gz ZHYCPAZSRGANLT-BETUJISGSA-N 3 2 266.389 -0.746 20 0 CBADLP C[NH+]1C[C@@H]2C[N@@H+](CC(=O)N3CC[NH+](C)CC3)C[C@@H]2C1 ZINC000193620689 352207758 /nfs/dbraw/zinc/20/77/58/352207758.db2.gz ZHYCPAZSRGANLT-BETUJISGSA-N 3 2 266.389 -0.746 20 0 CBADLP C[NH+]1C[C@@H]2C[N@H+](CC(=O)N3CC[NH+](C)CC3)C[C@@H]2C1 ZINC000193620689 352207759 /nfs/dbraw/zinc/20/77/59/352207759.db2.gz ZHYCPAZSRGANLT-BETUJISGSA-N 3 2 266.389 -0.746 20 0 CBADLP CN(C)c1[nH+]cc(C[NH2+]C[C@@]2(O)CCOC2)n1C ZINC000227116955 352255464 /nfs/dbraw/zinc/25/54/64/352255464.db2.gz MVBQSDQQVHPENG-LBPRGKRZSA-N 2 2 254.334 -0.273 20 0 CBADLP CC(C)C[C@H](CNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1)[NH+]1CCOCC1 ZINC000226820329 352253807 /nfs/dbraw/zinc/25/38/07/352253807.db2.gz SCFKIQMZXYXLCE-MCIONIFRSA-N 2 2 299.415 -0.428 20 0 CBADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000245460706 352320679 /nfs/dbraw/zinc/32/06/79/352320679.db2.gz MMDPJPYZDZRDFL-UONOGXRCSA-N 2 2 299.415 -0.210 20 0 CBADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000245460706 352320683 /nfs/dbraw/zinc/32/06/83/352320683.db2.gz MMDPJPYZDZRDFL-UONOGXRCSA-N 2 2 299.415 -0.210 20 0 CBADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000245460706 352320685 /nfs/dbraw/zinc/32/06/85/352320685.db2.gz MMDPJPYZDZRDFL-UONOGXRCSA-N 2 2 299.415 -0.210 20 0 CBADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000245460706 352320687 /nfs/dbraw/zinc/32/06/87/352320687.db2.gz MMDPJPYZDZRDFL-UONOGXRCSA-N 2 2 299.415 -0.210 20 0 CBADLP C[N@@H+]1CCN(C(=O)CCOCC(F)F)[C@H](C[NH3+])C1 ZINC000232337789 352280317 /nfs/dbraw/zinc/28/03/17/352280317.db2.gz NOOKNFKAWXNDLX-SECBINFHSA-N 2 2 265.304 -0.241 20 0 CBADLP C[N@H+]1CCN(C(=O)CCOCC(F)F)[C@H](C[NH3+])C1 ZINC000232337789 352280321 /nfs/dbraw/zinc/28/03/21/352280321.db2.gz NOOKNFKAWXNDLX-SECBINFHSA-N 2 2 265.304 -0.241 20 0 CBADLP COCC1(C(=O)NCC[NH+]2CCOCC2)CC[NH2+]CC1 ZINC000234655257 352283386 /nfs/dbraw/zinc/28/33/86/352283386.db2.gz UCDQDAOUAIGDFN-UHFFFAOYSA-N 2 2 285.388 -0.549 20 0 CBADLP O[C@H](CN1CC[C@H]([NH+]2CCCC2)C1)C[NH+]1CCOCC1 ZINC000245393850 352319188 /nfs/dbraw/zinc/31/91/88/352319188.db2.gz DOJGOMDLKZJVBU-GJZGRUSLSA-N 2 2 283.416 -0.150 20 0 CBADLP CC(C)(CNC(=O)C[NH2+]C[C@H]1CCCO1)[NH+]1CCOCC1 ZINC000236656158 352292247 /nfs/dbraw/zinc/29/22/47/352292247.db2.gz WZUHHECWMZBVPR-CYBMUJFWSA-N 2 2 299.415 -0.018 20 0 CBADLP O[C@H](CN1CC[C@@H]([NH+]2CCCC2)C1)C[NH+]1CCOCC1 ZINC000245393848 352319604 /nfs/dbraw/zinc/31/96/04/352319604.db2.gz DOJGOMDLKZJVBU-CABCVRRESA-N 2 2 283.416 -0.150 20 0 CBADLP COCC[NH2+]CC(=O)N1CC[NH+](CCOC)CC1 ZINC000237152032 352300593 /nfs/dbraw/zinc/30/05/93/352300593.db2.gz FBUFUVUMGUZJKB-UHFFFAOYSA-N 2 2 259.350 -0.987 20 0 CBADLP CN(C)CC[NH+]1CCC(CNC(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000237156483 352300625 /nfs/dbraw/zinc/30/06/25/352300625.db2.gz AVYFYQGEXQTRMW-AWEZNQCLSA-N 2 2 298.431 -0.635 20 0 CBADLP C[NH+](C)CCN1CCC(CNC(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000237156483 352300628 /nfs/dbraw/zinc/30/06/28/352300628.db2.gz AVYFYQGEXQTRMW-AWEZNQCLSA-N 2 2 298.431 -0.635 20 0 CBADLP C[NH2+]CC(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000237204604 352302606 /nfs/dbraw/zinc/30/26/06/352302606.db2.gz AHLYXWOWQQXSKM-SNVBAGLBSA-N 2 2 268.361 -0.983 20 0 CBADLP CSCC[C@H]([NH3+])C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000237316620 352303093 /nfs/dbraw/zinc/30/30/93/352303093.db2.gz GWWDLTPHKPVDGD-MNOVXSKESA-N 2 2 275.418 -0.096 20 0 CBADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)C(C)(C)[NH3+])CC1 ZINC000237471143 352305884 /nfs/dbraw/zinc/30/58/84/352305884.db2.gz CNXPGXSSQYVMSO-LBPRGKRZSA-N 2 2 296.415 -0.121 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1C[NH2+]CCO1)Cn1cc[nH+]c1 ZINC000237575175 352307352 /nfs/dbraw/zinc/30/73/52/352307352.db2.gz UXTACOQTKSRTPI-QWRGUYRKSA-N 2 2 252.318 -0.376 20 0 CBADLP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C[C@H]1C ZINC000245421100 352320859 /nfs/dbraw/zinc/32/08/59/352320859.db2.gz HUUWLNROSIZVEU-AGIUHOORSA-N 2 2 285.388 -0.770 20 0 CBADLP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C[C@H]1C ZINC000245421100 352320860 /nfs/dbraw/zinc/32/08/60/352320860.db2.gz HUUWLNROSIZVEU-AGIUHOORSA-N 2 2 285.388 -0.770 20 0 CBADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC000245421100 352320863 /nfs/dbraw/zinc/32/08/63/352320863.db2.gz HUUWLNROSIZVEU-AGIUHOORSA-N 2 2 285.388 -0.770 20 0 CBADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC000245421100 352320866 /nfs/dbraw/zinc/32/08/66/352320866.db2.gz HUUWLNROSIZVEU-AGIUHOORSA-N 2 2 285.388 -0.770 20 0 CBADLP CNC(=O)[C@H]1C[N@H+](CC[C@H]2CCC[NH+]2C)CCO1 ZINC000248446658 352352517 /nfs/dbraw/zinc/35/25/17/352352517.db2.gz NCKSHBFKKDDFGP-VXGBXAGGSA-N 2 2 255.362 -0.083 20 0 CBADLP CNC(=O)[C@H]1C[N@@H+](CC[C@H]2CCC[NH+]2C)CCO1 ZINC000248446658 352352521 /nfs/dbraw/zinc/35/25/21/352352521.db2.gz NCKSHBFKKDDFGP-VXGBXAGGSA-N 2 2 255.362 -0.083 20 0 CBADLP CNC(=O)[C@H]1C[NH+](CC[C@H]2CCC[N@@H+]2C)CCO1 ZINC000248446658 352352525 /nfs/dbraw/zinc/35/25/25/352352525.db2.gz NCKSHBFKKDDFGP-VXGBXAGGSA-N 2 2 255.362 -0.083 20 0 CBADLP CNC(=O)[C@H]1C[NH+](CC[C@H]2CCC[N@H+]2C)CCO1 ZINC000248446658 352352529 /nfs/dbraw/zinc/35/25/29/352352529.db2.gz NCKSHBFKKDDFGP-VXGBXAGGSA-N 2 2 255.362 -0.083 20 0 CBADLP C[C@H](O)C[N@@H+]1CCN(CC(=O)N2CC[NH+](C)CC2)C[C@@H]1C ZINC000245693676 352324174 /nfs/dbraw/zinc/32/41/74/352324174.db2.gz WOQZUIUASVIIPT-KBPBESRZSA-N 2 2 298.431 -0.853 20 0 CBADLP C[C@H](O)C[N@H+]1CCN(CC(=O)N2CC[NH+](C)CC2)C[C@@H]1C ZINC000245693676 352324178 /nfs/dbraw/zinc/32/41/78/352324178.db2.gz WOQZUIUASVIIPT-KBPBESRZSA-N 2 2 298.431 -0.853 20 0 CBADLP O[C@H](C[NH+]1CCC[C@@H](O)C1)C[N@@H+]1CCC[C@H](O)C1 ZINC000245888609 352326390 /nfs/dbraw/zinc/32/63/90/352326390.db2.gz BYBYNOZGNMRJCA-CLLJXQQHSA-N 2 2 258.362 -0.739 20 0 CBADLP O[C@H](C[NH+]1CCC[C@@H](O)C1)C[N@H+]1CCC[C@H](O)C1 ZINC000245888609 352326393 /nfs/dbraw/zinc/32/63/93/352326393.db2.gz BYBYNOZGNMRJCA-CLLJXQQHSA-N 2 2 258.362 -0.739 20 0 CBADLP O[C@@H](C[NH+]1CCC[C@H](O)C1)C[N@@H+]1CCC[C@@H](O)C1 ZINC000245888609 352326397 /nfs/dbraw/zinc/32/63/97/352326397.db2.gz BYBYNOZGNMRJCA-CLLJXQQHSA-N 2 2 258.362 -0.739 20 0 CBADLP O[C@@H](C[NH+]1CCC[C@H](O)C1)C[N@H+]1CCC[C@@H](O)C1 ZINC000245888609 352326402 /nfs/dbraw/zinc/32/64/02/352326402.db2.gz BYBYNOZGNMRJCA-CLLJXQQHSA-N 2 2 258.362 -0.739 20 0 CBADLP C[C@@H]1CN(C(=O)[C@H]2CC[NH2+]C2)C[C@H]1[NH+]1CCOCC1 ZINC000246257030 352329912 /nfs/dbraw/zinc/32/99/12/352329912.db2.gz KLYGZHBWXUPKCB-FRRDWIJNSA-N 2 2 267.373 -0.225 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)C[C@H](C)C(=O)NC)CC1 ZINC000246271066 352330245 /nfs/dbraw/zinc/33/02/45/352330245.db2.gz VYFFSUOGOCNBIX-QWHCGFSZSA-N 2 2 298.431 -0.147 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)C[C@H](C)C(=O)NC)CC1 ZINC000246271066 352330246 /nfs/dbraw/zinc/33/02/46/352330246.db2.gz VYFFSUOGOCNBIX-QWHCGFSZSA-N 2 2 298.431 -0.147 20 0 CBADLP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246304864 352331077 /nfs/dbraw/zinc/33/10/77/352331077.db2.gz CNZJETZQMKOIQY-ZJUUUORDSA-N 2 2 256.350 -0.286 20 0 CBADLP CNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246304864 352331079 /nfs/dbraw/zinc/33/10/79/352331079.db2.gz CNZJETZQMKOIQY-ZJUUUORDSA-N 2 2 256.350 -0.286 20 0 CBADLP COC(=O)CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246390676 352332657 /nfs/dbraw/zinc/33/26/57/352332657.db2.gz PEBGTGRWGQZMMT-QWRGUYRKSA-N 2 2 271.361 -0.452 20 0 CBADLP COC(=O)CNC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246390676 352332659 /nfs/dbraw/zinc/33/26/59/352332659.db2.gz PEBGTGRWGQZMMT-QWRGUYRKSA-N 2 2 271.361 -0.452 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCO[C@@H](COC)C2)CC1 ZINC000246495105 352333833 /nfs/dbraw/zinc/33/38/33/352333833.db2.gz ATWXQTVQVMDFBN-UONOGXRCSA-N 2 2 299.415 -0.114 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCO[C@@H](COC)C2)CC1 ZINC000246495105 352333837 /nfs/dbraw/zinc/33/38/37/352333837.db2.gz ATWXQTVQVMDFBN-UONOGXRCSA-N 2 2 299.415 -0.114 20 0 CBADLP C[C@@H]1C[N@@H+](CCCNC(=O)[C@H]2C[NH+](C)CCO2)C[C@H](C)O1 ZINC000247162285 352344019 /nfs/dbraw/zinc/34/40/19/352344019.db2.gz QMOMMERSYPOHRB-HZSPNIEDSA-N 2 2 299.415 -0.068 20 0 CBADLP C[C@@H]1C[N@H+](CCCNC(=O)[C@H]2C[NH+](C)CCO2)C[C@H](C)O1 ZINC000247162285 352344022 /nfs/dbraw/zinc/34/40/22/352344022.db2.gz QMOMMERSYPOHRB-HZSPNIEDSA-N 2 2 299.415 -0.068 20 0 CBADLP C[C@@H]1C[NH+](CCCNC(=O)[C@H]2C[N@H+](C)CCO2)C[C@H](C)O1 ZINC000247162285 352344024 /nfs/dbraw/zinc/34/40/24/352344024.db2.gz QMOMMERSYPOHRB-HZSPNIEDSA-N 2 2 299.415 -0.068 20 0 CBADLP C[C@@H]1C[NH+](CCCNC(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H](C)O1 ZINC000247162285 352344026 /nfs/dbraw/zinc/34/40/26/352344026.db2.gz QMOMMERSYPOHRB-HZSPNIEDSA-N 2 2 299.415 -0.068 20 0 CBADLP C[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H](C(N)=O)C2)C1 ZINC000247311783 352345990 /nfs/dbraw/zinc/34/59/90/352345990.db2.gz OCZPZRMMAPWRMT-QWHCGFSZSA-N 2 2 296.415 -0.406 20 0 CBADLP C[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H](C(N)=O)C2)C1 ZINC000247311783 352345993 /nfs/dbraw/zinc/34/59/93/352345993.db2.gz OCZPZRMMAPWRMT-QWHCGFSZSA-N 2 2 296.415 -0.406 20 0 CBADLP C[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)[C@@H](C(N)=O)C1 ZINC000249540297 352368302 /nfs/dbraw/zinc/36/83/02/352368302.db2.gz DSYKCAWBELNYND-VXGBXAGGSA-N 2 2 282.388 -0.654 20 0 CBADLP C[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)[C@@H](C(N)=O)C1 ZINC000249540297 352368305 /nfs/dbraw/zinc/36/83/05/352368305.db2.gz DSYKCAWBELNYND-VXGBXAGGSA-N 2 2 282.388 -0.654 20 0 CBADLP CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000251667066 352375228 /nfs/dbraw/zinc/37/52/28/352375228.db2.gz HIPXUSSMZIYTQE-NXEZZACHSA-N 2 2 256.350 -0.109 20 0 CBADLP CCNC(=O)NC(=O)C[N@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000251667066 352375229 /nfs/dbraw/zinc/37/52/29/352375229.db2.gz HIPXUSSMZIYTQE-NXEZZACHSA-N 2 2 256.350 -0.109 20 0 CBADLP C[C@@H]1C[N@H+](CC(=O)NC[C@H]2CCCO2)CC[C@@H]1[NH3+] ZINC000251690929 352375262 /nfs/dbraw/zinc/37/52/62/352375262.db2.gz IIMISLYMMBQHJH-UTUOFQBUSA-N 2 2 255.362 -0.049 20 0 CBADLP C[C@@H]1C[N@@H+](CC(=O)NC[C@H]2CCCO2)CC[C@@H]1[NH3+] ZINC000251690929 352375266 /nfs/dbraw/zinc/37/52/66/352375266.db2.gz IIMISLYMMBQHJH-UTUOFQBUSA-N 2 2 255.362 -0.049 20 0 CBADLP C[C@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)CC[C@H]1O ZINC000251954343 352376508 /nfs/dbraw/zinc/37/65/08/352376508.db2.gz YKNAZYMWSBGJRJ-NWDGAFQWSA-N 2 2 255.362 -0.537 20 0 CBADLP C[C@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)CC[C@H]1O ZINC000251954343 352376510 /nfs/dbraw/zinc/37/65/10/352376510.db2.gz YKNAZYMWSBGJRJ-NWDGAFQWSA-N 2 2 255.362 -0.537 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252784765 352379200 /nfs/dbraw/zinc/37/92/00/352379200.db2.gz UJSXZDXQCPEVNQ-NWDGAFQWSA-N 2 2 284.404 -0.360 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252784765 352379201 /nfs/dbraw/zinc/37/92/01/352379201.db2.gz UJSXZDXQCPEVNQ-NWDGAFQWSA-N 2 2 284.404 -0.360 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252784766 352379431 /nfs/dbraw/zinc/37/94/31/352379431.db2.gz UJSXZDXQCPEVNQ-RYUDHWBXSA-N 2 2 284.404 -0.360 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252784766 352379433 /nfs/dbraw/zinc/37/94/33/352379433.db2.gz UJSXZDXQCPEVNQ-RYUDHWBXSA-N 2 2 284.404 -0.360 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@@H](O)C2)CC1 ZINC000253375798 352381290 /nfs/dbraw/zinc/38/12/90/352381290.db2.gz QYXUVEGGOACGHI-CHWSQXEVSA-N 2 2 269.389 -0.004 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@@H](O)C2)CC1 ZINC000253375798 352381293 /nfs/dbraw/zinc/38/12/93/352381293.db2.gz QYXUVEGGOACGHI-CHWSQXEVSA-N 2 2 269.389 -0.004 20 0 CBADLP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261572126 352388157 /nfs/dbraw/zinc/38/81/57/352388157.db2.gz LLIPWSSAYYTYNY-BXKDBHETSA-N 2 2 256.350 -0.109 20 0 CBADLP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261572126 352388161 /nfs/dbraw/zinc/38/81/61/352388161.db2.gz LLIPWSSAYYTYNY-BXKDBHETSA-N 2 2 256.350 -0.109 20 0 CBADLP O=C(C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1)NC(=O)NC1CC1 ZINC000261586753 352390043 /nfs/dbraw/zinc/39/00/43/352390043.db2.gz JBKSPHXJANKUDI-CYBMUJFWSA-N 2 2 266.345 -0.340 20 0 CBADLP O=C(C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)NC(=O)NC1CC1 ZINC000261586753 352390046 /nfs/dbraw/zinc/39/00/46/352390046.db2.gz JBKSPHXJANKUDI-CYBMUJFWSA-N 2 2 266.345 -0.340 20 0 CBADLP CCCNC(=O)NC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261598626 352390634 /nfs/dbraw/zinc/39/06/34/352390634.db2.gz PEKBHSPUPZQUMF-WDEREUQCSA-N 2 2 268.361 -0.237 20 0 CBADLP CCCNC(=O)NC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261598626 352390636 /nfs/dbraw/zinc/39/06/36/352390636.db2.gz PEKBHSPUPZQUMF-WDEREUQCSA-N 2 2 268.361 -0.237 20 0 CBADLP CCCNC(=O)[C@H](C)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261606131 352391041 /nfs/dbraw/zinc/39/10/41/352391041.db2.gz RKUGJTFWMOPHBM-STQMWFEESA-N 2 2 268.405 -0.119 20 0 CBADLP CCCNC(=O)NC(=O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261619094 352391236 /nfs/dbraw/zinc/39/12/36/352391236.db2.gz UKEVHICLRZFHGK-MNOVXSKESA-N 2 2 268.361 -0.094 20 0 CBADLP CCCNC(=O)NC(=O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261619094 352391239 /nfs/dbraw/zinc/39/12/39/352391239.db2.gz UKEVHICLRZFHGK-MNOVXSKESA-N 2 2 268.361 -0.094 20 0 CBADLP CC[C@H](C)NC(=O)C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261620952 352392067 /nfs/dbraw/zinc/39/20/67/352392067.db2.gz UQRAULFTBXLNNC-STQMWFEESA-N 2 2 268.405 -0.119 20 0 CBADLP Cn1c(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc(=O)n(C)c1=O ZINC000261691761 352394247 /nfs/dbraw/zinc/39/42/47/352394247.db2.gz HPDQAWXZKRVKSS-CMPLNLGQSA-N 2 2 278.356 -0.732 20 0 CBADLP Cn1c(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc(=O)n(C)c1=O ZINC000261691761 352394248 /nfs/dbraw/zinc/39/42/48/352394248.db2.gz HPDQAWXZKRVKSS-CMPLNLGQSA-N 2 2 278.356 -0.732 20 0 CBADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C)[NH3+])CC1 ZINC000261763904 352395681 /nfs/dbraw/zinc/39/56/81/352395681.db2.gz IGEYKTZPRIDAIE-SNVBAGLBSA-N 2 2 256.350 -0.996 20 0 CBADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](C)[NH3+])CC1 ZINC000261763904 352395683 /nfs/dbraw/zinc/39/56/83/352395683.db2.gz IGEYKTZPRIDAIE-SNVBAGLBSA-N 2 2 256.350 -0.996 20 0 CBADLP NC(=O)NC(=O)CC[N@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261826378 352397830 /nfs/dbraw/zinc/39/78/30/352397830.db2.gz SPOMGUUWZHKQMH-NWDGAFQWSA-N 2 2 276.340 -0.002 20 0 CBADLP NC(=O)NC(=O)CC[N@@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261826378 352397833 /nfs/dbraw/zinc/39/78/33/352397833.db2.gz SPOMGUUWZHKQMH-NWDGAFQWSA-N 2 2 276.340 -0.002 20 0 CBADLP C[C@@H]([NH3+])C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000261874148 352398441 /nfs/dbraw/zinc/39/84/41/352398441.db2.gz RAHBEDSBYHOYPN-SNVBAGLBSA-N 2 2 267.333 -0.499 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)CC1 ZINC000261879683 352398619 /nfs/dbraw/zinc/39/86/19/352398619.db2.gz ULFWTLGYTJAUJP-NEPJUHHUSA-N 2 2 271.361 -0.717 20 0 CBADLP C[NH2+][C@@H]1CCC[N@H+](CCC(=O)N2CCOCC2)C1 ZINC000261851233 352398656 /nfs/dbraw/zinc/39/86/56/352398656.db2.gz XZLSIHSSSIIWKX-GFCCVEGCSA-N 2 2 255.362 -0.081 20 0 CBADLP C[NH2+][C@@H]1CCC[N@@H+](CCC(=O)N2CCOCC2)C1 ZINC000261851233 352398659 /nfs/dbraw/zinc/39/86/59/352398659.db2.gz XZLSIHSSSIIWKX-GFCCVEGCSA-N 2 2 255.362 -0.081 20 0 CBADLP C[C@@H]([NH3+])C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000261852383 352398911 /nfs/dbraw/zinc/39/89/11/352398911.db2.gz OYAHTYOBHZDIJP-LLVKDONJSA-N 2 2 282.388 -0.606 20 0 CBADLP C[C@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)[C@H]1CO ZINC000248935367 352358811 /nfs/dbraw/zinc/35/88/11/352358811.db2.gz NCKSLHSWKAJBSL-RYUDHWBXSA-N 2 2 255.362 -0.537 20 0 CBADLP COCC1(C(=O)NC[C@@H](C)[NH+]2CCOCC2)CC[NH2+]CC1 ZINC000262310817 352415393 /nfs/dbraw/zinc/41/53/93/352415393.db2.gz AJGXBIVZPUNFBZ-CYBMUJFWSA-N 2 2 299.415 -0.161 20 0 CBADLP C[C@H](C[NH3+])C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000262336352 352417175 /nfs/dbraw/zinc/41/71/75/352417175.db2.gz HIPDZGTXBPYLHD-WOPDTQHZSA-N 2 2 255.362 -0.240 20 0 CBADLP [NH3+]CC(=O)NCC(=O)NCCCNc1cccc[nH+]1 ZINC000262357443 352417813 /nfs/dbraw/zinc/41/78/13/352417813.db2.gz GDZYBCRXVCRVIX-UHFFFAOYSA-N 2 2 265.317 -0.925 20 0 CBADLP O=C([C@H]1C[C@]12CC[NH2+]C2)N1CC[NH+](CCO)CC1 ZINC000262413893 352421698 /nfs/dbraw/zinc/42/16/98/352421698.db2.gz QWKORUDZVHHBCH-YPMHNXCESA-N 2 2 253.346 -0.878 20 0 CBADLP C[C@@H](CNC(=O)C[C@@H]1COCC[NH2+]1)[NH+]1CCOCC1 ZINC000262484121 352423438 /nfs/dbraw/zinc/42/34/38/352423438.db2.gz ZXIOCVAJEPAJKW-NWDGAFQWSA-N 2 2 271.361 -0.798 20 0 CBADLP C[C@@H]1CCC[N@H+](CCNC(=O)[C@H]2COCC[NH2+]2)C1 ZINC000262653564 352429451 /nfs/dbraw/zinc/42/94/51/352429451.db2.gz BCGIKHSFTMEAAK-VXGBXAGGSA-N 2 2 255.362 -0.177 20 0 CBADLP C[C@@H]1CCC[N@@H+](CCNC(=O)[C@H]2COCC[NH2+]2)C1 ZINC000262653564 352429456 /nfs/dbraw/zinc/42/94/56/352429456.db2.gz BCGIKHSFTMEAAK-VXGBXAGGSA-N 2 2 255.362 -0.177 20 0 CBADLP C[C@@H]1CN(C(=O)C(C)(C)[NH3+])C[C@H]1[NH+]1CCOCC1 ZINC000262661442 352430432 /nfs/dbraw/zinc/43/04/32/352430432.db2.gz YFHYPHBNEZNULH-GHMZBOCLSA-N 2 2 255.362 -0.097 20 0 CBADLP CC1(C)C[N@H+](CCNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)CCO1 ZINC000262029912 352404328 /nfs/dbraw/zinc/40/43/28/352404328.db2.gz PGNLVLRZLYFBDQ-NEPJUHHUSA-N 2 2 285.388 -0.280 20 0 CBADLP CC1(C)C[N@@H+](CCNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)CCO1 ZINC000262029912 352404331 /nfs/dbraw/zinc/40/43/31/352404331.db2.gz PGNLVLRZLYFBDQ-NEPJUHHUSA-N 2 2 285.388 -0.280 20 0 CBADLP C[N@H+](CC(=O)N1CCOCC1)C[C@]1(C)CC[NH2+]C1 ZINC000262075379 352406331 /nfs/dbraw/zinc/40/63/31/352406331.db2.gz SNUOACIFAKNHLX-CYBMUJFWSA-N 2 2 255.362 -0.223 20 0 CBADLP C[N@@H+](CC(=O)N1CCOCC1)C[C@]1(C)CC[NH2+]C1 ZINC000262075379 352406333 /nfs/dbraw/zinc/40/63/33/352406333.db2.gz SNUOACIFAKNHLX-CYBMUJFWSA-N 2 2 255.362 -0.223 20 0 CBADLP Nc1nc(-n2cccn2)cc(N2CC[NH+](CCO)CC2)[nH+]1 ZINC000268403213 352449627 /nfs/dbraw/zinc/44/96/27/352449627.db2.gz NGIDGSZKAYUMER-UHFFFAOYSA-N 2 2 289.343 -0.641 20 0 CBADLP COC(=O)CNC(=O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000269640053 352477214 /nfs/dbraw/zinc/47/72/14/352477214.db2.gz NQNUFLCMHPBXAP-SNVBAGLBSA-N 2 2 280.328 -0.122 20 0 CBADLP COC(=O)CNC(=O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000269640053 352477217 /nfs/dbraw/zinc/47/72/17/352477217.db2.gz NQNUFLCMHPBXAP-SNVBAGLBSA-N 2 2 280.328 -0.122 20 0 CBADLP Cn1cc[nH+]c1N1CC[NH+](CCn2cncn2)CC1 ZINC000269725289 352480271 /nfs/dbraw/zinc/48/02/71/352480271.db2.gz VRDZBENZWLFOQN-UHFFFAOYSA-N 2 2 261.333 -0.166 20 0 CBADLP Cc1[nH+]ccn1CC[N@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000270907577 352504532 /nfs/dbraw/zinc/50/45/32/352504532.db2.gz SISXKDPUZYAGDM-MWLCHTKSSA-N 2 2 252.318 -0.234 20 0 CBADLP C[N@H+](CCO)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000271017655 352506957 /nfs/dbraw/zinc/50/69/57/352506957.db2.gz RTOORGPROPLATF-UHFFFAOYSA-N 2 2 265.361 -0.348 20 0 CBADLP C[N@@H+](CCO)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000271017655 352506960 /nfs/dbraw/zinc/50/69/60/352506960.db2.gz RTOORGPROPLATF-UHFFFAOYSA-N 2 2 265.361 -0.348 20 0 CBADLP C[C@H](O)C(=O)N1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000272045754 352512302 /nfs/dbraw/zinc/51/23/02/352512302.db2.gz PKJGKOXDEKVIHG-LBPRGKRZSA-N 2 2 266.345 -0.202 20 0 CBADLP C[C@@H](CNC(=O)C(=O)NCCn1cc[nH+]c1)[N@H+](C)C1CC1 ZINC000283237579 352621453 /nfs/dbraw/zinc/62/14/53/352621453.db2.gz CLQNQDVLSXVNMT-NSHDSACASA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@@H](CNC(=O)C(=O)NCCn1cc[nH+]c1)[N@@H+](C)C1CC1 ZINC000283237579 352621457 /nfs/dbraw/zinc/62/14/57/352621457.db2.gz CLQNQDVLSXVNMT-NSHDSACASA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@@H]1C[C@H](C(=O)NC[C@H]2C[N@H+](C)CCO2)CC[NH2+]1 ZINC000300136363 352732890 /nfs/dbraw/zinc/73/28/90/352732890.db2.gz GYYRSHZLOSBCMG-UTUOFQBUSA-N 2 2 255.362 -0.179 20 0 CBADLP C[C@@H]1C[C@H](C(=O)NC[C@H]2C[N@@H+](C)CCO2)CC[NH2+]1 ZINC000300136363 352732892 /nfs/dbraw/zinc/73/28/92/352732892.db2.gz GYYRSHZLOSBCMG-UTUOFQBUSA-N 2 2 255.362 -0.179 20 0 CBADLP CNC(=O)[C@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)CCOC)C1 ZINC000312643558 352775654 /nfs/dbraw/zinc/77/56/54/352775654.db2.gz XNEIQLXNOLOTKX-STQMWFEESA-N 2 2 287.404 -0.617 20 0 CBADLP CNC(=O)[C@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)CCOC)C1 ZINC000312643558 352775657 /nfs/dbraw/zinc/77/56/57/352775657.db2.gz XNEIQLXNOLOTKX-STQMWFEESA-N 2 2 287.404 -0.617 20 0 CBADLP CNC(=O)[C@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)CCOC)C1 ZINC000312643558 352775661 /nfs/dbraw/zinc/77/56/61/352775661.db2.gz XNEIQLXNOLOTKX-STQMWFEESA-N 2 2 287.404 -0.617 20 0 CBADLP CNC(=O)[C@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)CCOC)C1 ZINC000312643558 352775665 /nfs/dbraw/zinc/77/56/65/352775665.db2.gz XNEIQLXNOLOTKX-STQMWFEESA-N 2 2 287.404 -0.617 20 0 CBADLP C[C@@H](C(=O)N1CC[NH+](C)CC1)N1CC[NH+](C)CC1 ZINC000302816409 352743445 /nfs/dbraw/zinc/74/34/45/352743445.db2.gz VXXOFXBKRNQVIY-LBPRGKRZSA-N 2 2 254.378 -0.604 20 0 CBADLP CC[N@H+](CCO)[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000303032891 352744071 /nfs/dbraw/zinc/74/40/71/352744071.db2.gz BDWBNOYOBVHKKX-GFCCVEGCSA-N 2 2 257.378 -0.147 20 0 CBADLP CC[N@@H+](CCO)[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000303032891 352744073 /nfs/dbraw/zinc/74/40/73/352744073.db2.gz BDWBNOYOBVHKKX-GFCCVEGCSA-N 2 2 257.378 -0.147 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCCCO)CC1 ZINC000305105115 352747508 /nfs/dbraw/zinc/74/75/08/352747508.db2.gz BCSBLLOTBWGBEM-CYBMUJFWSA-N 2 2 269.389 -0.003 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCCCO)CC1 ZINC000305105115 352747509 /nfs/dbraw/zinc/74/75/09/352747509.db2.gz BCSBLLOTBWGBEM-CYBMUJFWSA-N 2 2 269.389 -0.003 20 0 CBADLP CC[C@H](CO)[NH+]1CCN(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000305433840 352748604 /nfs/dbraw/zinc/74/86/04/352748604.db2.gz GQAKMACCEFPTIH-CQSZACIVSA-N 2 2 298.431 -0.851 20 0 CBADLP CC1(C)NC(=O)N(CC[N@@H+]2CCCO[C@H](C[NH3+])C2)C1=O ZINC000313337649 352776819 /nfs/dbraw/zinc/77/68/19/352776819.db2.gz JMCCKXYEYGSPQV-SNVBAGLBSA-N 2 2 284.360 -0.634 20 0 CBADLP CC1(C)NC(=O)N(CC[N@H+]2CCCO[C@H](C[NH3+])C2)C1=O ZINC000313337649 352776820 /nfs/dbraw/zinc/77/68/20/352776820.db2.gz JMCCKXYEYGSPQV-SNVBAGLBSA-N 2 2 284.360 -0.634 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](O)[C@H](C)C1 ZINC000310962346 352764131 /nfs/dbraw/zinc/76/41/31/352764131.db2.gz ATNSDBOUESXBNK-AGIUHOORSA-N 2 2 260.378 -0.372 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](O)[C@H](C)C1 ZINC000310962346 352764133 /nfs/dbraw/zinc/76/41/33/352764133.db2.gz ATNSDBOUESXBNK-AGIUHOORSA-N 2 2 260.378 -0.372 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](O)[C@H](C)C1 ZINC000310962346 352764134 /nfs/dbraw/zinc/76/41/34/352764134.db2.gz ATNSDBOUESXBNK-AGIUHOORSA-N 2 2 260.378 -0.372 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](O)[C@H](C)C1 ZINC000310962346 352764136 /nfs/dbraw/zinc/76/41/36/352764136.db2.gz ATNSDBOUESXBNK-AGIUHOORSA-N 2 2 260.378 -0.372 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]([NH3+])CC(F)F ZINC000310926871 352764208 /nfs/dbraw/zinc/76/42/08/352764208.db2.gz SFRDQKIKZCAXOG-BDAKNGLRSA-N 2 2 265.304 -0.194 20 0 CBADLP CC[C@@](C)([NH2+]C[C@@H](O)C[N@H+](C)CCOC)C(N)=O ZINC000311152107 352765792 /nfs/dbraw/zinc/76/57/92/352765792.db2.gz NLTDJWRCGVQEJA-ZYHUDNBSSA-N 2 2 261.366 -0.831 20 0 CBADLP CC[C@@](C)([NH2+]C[C@@H](O)C[N@@H+](C)CCOC)C(N)=O ZINC000311152107 352765793 /nfs/dbraw/zinc/76/57/93/352765793.db2.gz NLTDJWRCGVQEJA-ZYHUDNBSSA-N 2 2 261.366 -0.831 20 0 CBADLP CCOC[C@H](O)C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000311198598 352767044 /nfs/dbraw/zinc/76/70/44/352767044.db2.gz HEFUHJJEGZWZOE-LLVKDONJSA-N 2 2 256.350 -0.027 20 0 CBADLP CC[N@@H+]1CCN(C[C@H](O)C[NH+]2CCOCC2)C[C@@H]1C ZINC000311250777 352767553 /nfs/dbraw/zinc/76/75/53/352767553.db2.gz IDRHGELYALNHRI-UONOGXRCSA-N 2 2 271.405 -0.295 20 0 CBADLP CC[N@H+]1CCN(C[C@H](O)C[NH+]2CCOCC2)C[C@@H]1C ZINC000311250777 352767555 /nfs/dbraw/zinc/76/75/55/352767555.db2.gz IDRHGELYALNHRI-UONOGXRCSA-N 2 2 271.405 -0.295 20 0 CBADLP C[N@H+](C[C@H](O)C[NH+]1CCC[C@H]2C(=O)NC[C@H]21)C1CC1 ZINC000311802917 352769987 /nfs/dbraw/zinc/76/99/87/352769987.db2.gz ZXWDCOOPDBLRGI-YNEHKIRRSA-N 2 2 267.373 -0.348 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@H]2C(=O)NC[C@H]21)C1CC1 ZINC000311802917 352769994 /nfs/dbraw/zinc/76/99/94/352769994.db2.gz ZXWDCOOPDBLRGI-YNEHKIRRSA-N 2 2 267.373 -0.348 20 0 CBADLP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21)C1CC1 ZINC000311802917 352769998 /nfs/dbraw/zinc/76/99/98/352769998.db2.gz ZXWDCOOPDBLRGI-YNEHKIRRSA-N 2 2 267.373 -0.348 20 0 CBADLP C[NH+](C[C@H](O)C[N@H+]1CCC[C@H]2C(=O)NC[C@H]21)C1CC1 ZINC000311802917 352770000 /nfs/dbraw/zinc/77/00/00/352770000.db2.gz ZXWDCOOPDBLRGI-YNEHKIRRSA-N 2 2 267.373 -0.348 20 0 CBADLP C[N@@H+]1CCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)CC1(C)C ZINC000312022529 352772988 /nfs/dbraw/zinc/77/29/88/352772988.db2.gz VMMUXPXUYWYYJV-LLVKDONJSA-N 2 2 291.417 -0.669 20 0 CBADLP C[N@H+]1CCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)CC1(C)C ZINC000312022529 352772993 /nfs/dbraw/zinc/77/29/93/352772993.db2.gz VMMUXPXUYWYYJV-LLVKDONJSA-N 2 2 291.417 -0.669 20 0 CBADLP CC[C@H](C(=O)NCC[NH+]1CCN(C(C)=O)CC1)[NH+](C)C ZINC000330414351 352822054 /nfs/dbraw/zinc/82/20/54/352822054.db2.gz BECKUWFUAKLELX-CYBMUJFWSA-N 2 2 284.404 -0.393 20 0 CBADLP COC(=O)[C@@H]1CCC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000330440119 352825373 /nfs/dbraw/zinc/82/53/73/352825373.db2.gz PDVLURPHNFTTBE-LBPRGKRZSA-N 2 2 283.372 -0.212 20 0 CBADLP COC(=O)[C@@H]1CCC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000330440119 352825378 /nfs/dbraw/zinc/82/53/78/352825378.db2.gz PDVLURPHNFTTBE-LBPRGKRZSA-N 2 2 283.372 -0.212 20 0 CBADLP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000330965691 352860605 /nfs/dbraw/zinc/86/06/05/352860605.db2.gz RJVCZYTUIWRHKH-RYUDHWBXSA-N 2 2 271.361 -0.846 20 0 CBADLP COCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000330965691 352860608 /nfs/dbraw/zinc/86/06/08/352860608.db2.gz RJVCZYTUIWRHKH-RYUDHWBXSA-N 2 2 271.361 -0.846 20 0 CBADLP COCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000330965691 352860610 /nfs/dbraw/zinc/86/06/10/352860610.db2.gz RJVCZYTUIWRHKH-RYUDHWBXSA-N 2 2 271.361 -0.846 20 0 CBADLP COCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000330965691 352860614 /nfs/dbraw/zinc/86/06/14/352860614.db2.gz RJVCZYTUIWRHKH-RYUDHWBXSA-N 2 2 271.361 -0.846 20 0 CBADLP CC(C)(CNC(=O)C[N@@H+]1CC[C@](C)(O)C1)[NH+]1CCOCC1 ZINC000331010769 352866221 /nfs/dbraw/zinc/86/62/21/352866221.db2.gz XTUQLVYNSQYKLZ-HNNXBMFYSA-N 2 2 299.415 -0.330 20 0 CBADLP CC(C)(CNC(=O)C[N@H+]1CC[C@](C)(O)C1)[NH+]1CCOCC1 ZINC000331010769 352866227 /nfs/dbraw/zinc/86/62/27/352866227.db2.gz XTUQLVYNSQYKLZ-HNNXBMFYSA-N 2 2 299.415 -0.330 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)NCC(C)(C)[NH+]2CCOCC2)[N@H+](C)C1 ZINC000330523729 352839518 /nfs/dbraw/zinc/83/95/18/352839518.db2.gz JRIBERHTTYFGTM-STQMWFEESA-N 2 2 299.415 -0.068 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)NCC(C)(C)[NH+]2CCOCC2)[N@@H+](C)C1 ZINC000330523729 352839521 /nfs/dbraw/zinc/83/95/21/352839521.db2.gz JRIBERHTTYFGTM-STQMWFEESA-N 2 2 299.415 -0.068 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)NCC[NH+]2CCOCC2(C)C)[N@H+](C)C1 ZINC000330528790 352839631 /nfs/dbraw/zinc/83/96/31/352839631.db2.gz FKWTWHVAETYXFJ-STQMWFEESA-N 2 2 299.415 -0.068 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)NCC[NH+]2CCOCC2(C)C)[N@@H+](C)C1 ZINC000330528790 352839634 /nfs/dbraw/zinc/83/96/34/352839634.db2.gz FKWTWHVAETYXFJ-STQMWFEESA-N 2 2 299.415 -0.068 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)NCC[N@@H+]2CCOCC2(C)C)[NH+](C)C1 ZINC000330528790 352839637 /nfs/dbraw/zinc/83/96/37/352839637.db2.gz FKWTWHVAETYXFJ-STQMWFEESA-N 2 2 299.415 -0.068 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)NCC[N@H+]2CCOCC2(C)C)[NH+](C)C1 ZINC000330528790 352839640 /nfs/dbraw/zinc/83/96/40/352839640.db2.gz FKWTWHVAETYXFJ-STQMWFEESA-N 2 2 299.415 -0.068 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)NCc2c[nH+]c(N(C)C)n2C)[N@H+](C)C1 ZINC000330549119 352845873 /nfs/dbraw/zinc/84/58/73/352845873.db2.gz RERFOUWDGMESDP-RYUDHWBXSA-N 2 2 295.387 -0.179 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)NCc2c[nH+]c(N(C)C)n2C)[N@@H+](C)C1 ZINC000330549119 352845877 /nfs/dbraw/zinc/84/58/77/352845877.db2.gz RERFOUWDGMESDP-RYUDHWBXSA-N 2 2 295.387 -0.179 20 0 CBADLP CC(C)([NH3+])CNC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000331490271 352919305 /nfs/dbraw/zinc/91/93/05/352919305.db2.gz OOODHHNYIDPNIM-UHFFFAOYSA-N 2 2 268.361 -0.854 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000331134996 352882160 /nfs/dbraw/zinc/88/21/60/352882160.db2.gz UZDVSPVEQQDHTK-UHFFFAOYSA-N 2 2 294.403 -0.238 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000331134996 352882162 /nfs/dbraw/zinc/88/21/62/352882162.db2.gz UZDVSPVEQQDHTK-UHFFFAOYSA-N 2 2 294.403 -0.238 20 0 CBADLP COC(=O)[C@@](C)(O)C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000331196968 352890961 /nfs/dbraw/zinc/89/09/61/352890961.db2.gz SKJIVCNBGSLLQU-ZDUSSCGKSA-N 2 2 282.344 -0.534 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[NH+]1CCOCC1 ZINC000332621608 352970846 /nfs/dbraw/zinc/97/08/46/352970846.db2.gz OMELXHFJQSVCMW-CYBMUJFWSA-N 2 2 285.388 -0.597 20 0 CBADLP C[C@@H]1CN(C(=O)C(=O)N2CCn3cc[nH+]c3C2)C[C@@H](C)[NH2+]1 ZINC000332668020 352974604 /nfs/dbraw/zinc/97/46/04/352974604.db2.gz MLLDJPNWTWSVQT-GHMZBOCLSA-N 2 2 291.355 -0.566 20 0 CBADLP C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000332766564 352984497 /nfs/dbraw/zinc/98/44/97/352984497.db2.gz AYGXIUIGXAMDIF-AAEUAGOBSA-N 2 2 278.356 -0.108 20 0 CBADLP C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000332766564 352984503 /nfs/dbraw/zinc/98/45/03/352984503.db2.gz AYGXIUIGXAMDIF-AAEUAGOBSA-N 2 2 278.356 -0.108 20 0 CBADLP C[C@H]1CN(C(=O)C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)CC[NH2+]1 ZINC000332601504 352969397 /nfs/dbraw/zinc/96/93/97/352969397.db2.gz NJTJEFWWMGBJKA-STQMWFEESA-N 2 2 294.399 -0.497 20 0 CBADLP C[C@H]1CN(C(=O)C(=O)N2CC[N@H+]3CCCC[C@H]3C2)CC[NH2+]1 ZINC000332601504 352969398 /nfs/dbraw/zinc/96/93/98/352969398.db2.gz NJTJEFWWMGBJKA-STQMWFEESA-N 2 2 294.399 -0.497 20 0 CBADLP C[C@H]1CN(C(=O)C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)CC[NH2+]1 ZINC000332601501 352969448 /nfs/dbraw/zinc/96/94/48/352969448.db2.gz NJTJEFWWMGBJKA-QWHCGFSZSA-N 2 2 294.399 -0.497 20 0 CBADLP C[C@H]1CN(C(=O)C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)CC[NH2+]1 ZINC000332601501 352969453 /nfs/dbraw/zinc/96/94/53/352969453.db2.gz NJTJEFWWMGBJKA-QWHCGFSZSA-N 2 2 294.399 -0.497 20 0 CBADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)CC[NH2+]1 ZINC000332601498 352969564 /nfs/dbraw/zinc/96/95/64/352969564.db2.gz NJTJEFWWMGBJKA-OLZOCXBDSA-N 2 2 294.399 -0.497 20 0 CBADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+]3CCCC[C@H]3C2)CC[NH2+]1 ZINC000332601498 352969567 /nfs/dbraw/zinc/96/95/67/352969567.db2.gz NJTJEFWWMGBJKA-OLZOCXBDSA-N 2 2 294.399 -0.497 20 0 CBADLP O=C(C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)N1CCNC(=O)C1 ZINC000333813010 353011863 /nfs/dbraw/zinc/01/18/63/353011863.db2.gz FZUAUKAFTMWNAH-QWHCGFSZSA-N 2 2 294.399 -0.591 20 0 CBADLP O=C(C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)N1CCNC(=O)C1 ZINC000333813010 353011865 /nfs/dbraw/zinc/01/18/65/353011865.db2.gz FZUAUKAFTMWNAH-QWHCGFSZSA-N 2 2 294.399 -0.591 20 0 CBADLP C[C@@H]1CN(c2cc(N3CCN(C)C(=O)C3)[nH+]cn2)CC[NH2+]1 ZINC000333896106 353013641 /nfs/dbraw/zinc/01/36/41/353013641.db2.gz HZEPBZBNYPVRNP-LLVKDONJSA-N 2 2 290.371 -0.447 20 0 CBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C[C@H]1CCC[N@@H+]1C ZINC000336816819 353059347 /nfs/dbraw/zinc/05/93/47/353059347.db2.gz NMSGOELLYJCGNA-ZIAGYGMSSA-N 2 2 271.405 -0.295 20 0 CBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C[C@H]1CCC[N@H+]1C ZINC000336816819 353059349 /nfs/dbraw/zinc/05/93/49/353059349.db2.gz NMSGOELLYJCGNA-ZIAGYGMSSA-N 2 2 271.405 -0.295 20 0 CBADLP CN(C[C@H](O)C[NH+]1CCOCC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000336826821 353060964 /nfs/dbraw/zinc/06/09/64/353060964.db2.gz WLSZTUCZYUZGPG-GJZGRUSLSA-N 2 2 283.416 -0.152 20 0 CBADLP CN(C[C@H](O)C[NH+]1CCOCC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000336826821 353060966 /nfs/dbraw/zinc/06/09/66/353060966.db2.gz WLSZTUCZYUZGPG-GJZGRUSLSA-N 2 2 283.416 -0.152 20 0 CBADLP C[C@@H]1CN(C[C@H](O)C[NH+]2CCOCC2)C[C@@H](C)[NH+]1C ZINC000336888510 353064831 /nfs/dbraw/zinc/06/48/31/353064831.db2.gz JVHBGIZTOVCOAI-MGPQQGTHSA-N 2 2 271.405 -0.296 20 0 CBADLP C[C@@H]1CN(C[C@@H](O)C[NH+]2CCOCC2)C[C@H](C)[N@H+]1C ZINC000336888512 353065288 /nfs/dbraw/zinc/06/52/88/353065288.db2.gz JVHBGIZTOVCOAI-MJBXVCDLSA-N 2 2 271.405 -0.296 20 0 CBADLP C[C@@H]1CN(C[C@@H](O)C[NH+]2CCOCC2)C[C@H](C)[N@@H+]1C ZINC000336888512 353065290 /nfs/dbraw/zinc/06/52/90/353065290.db2.gz JVHBGIZTOVCOAI-MJBXVCDLSA-N 2 2 271.405 -0.296 20 0 CBADLP CN(C)S(=O)(=O)CC[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000336710410 353049092 /nfs/dbraw/zinc/04/90/92/353049092.db2.gz OWPFPTHENZUBDP-LLVKDONJSA-N 2 2 263.407 -0.239 20 0 CBADLP CN(C)S(=O)(=O)CC[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000336710410 353049094 /nfs/dbraw/zinc/04/90/94/353049094.db2.gz OWPFPTHENZUBDP-LLVKDONJSA-N 2 2 263.407 -0.239 20 0 CBADLP COC(=O)[C@@H]1CC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000336791461 353052969 /nfs/dbraw/zinc/05/29/69/353052969.db2.gz NOMGEUUZVQSFBM-ZYHUDNBSSA-N 2 2 256.346 -0.064 20 0 CBADLP COC(=O)[C@@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000336791461 353052972 /nfs/dbraw/zinc/05/29/72/353052972.db2.gz NOMGEUUZVQSFBM-ZYHUDNBSSA-N 2 2 256.346 -0.064 20 0 CBADLP COC(=O)[C@@H]1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000336791461 353052974 /nfs/dbraw/zinc/05/29/74/353052974.db2.gz NOMGEUUZVQSFBM-ZYHUDNBSSA-N 2 2 256.346 -0.064 20 0 CBADLP COC(=O)[C@@H]1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000336791461 353052977 /nfs/dbraw/zinc/05/29/77/353052977.db2.gz NOMGEUUZVQSFBM-ZYHUDNBSSA-N 2 2 256.346 -0.064 20 0 CBADLP O=C1NCCC[C@@H]1[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000336803635 353055923 /nfs/dbraw/zinc/05/59/23/353055923.db2.gz ZCWGRDXEFZMTCK-OLZOCXBDSA-N 2 2 267.373 -0.081 20 0 CBADLP O=C1NCCC[C@@H]1[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000336803635 353055926 /nfs/dbraw/zinc/05/59/26/353055926.db2.gz ZCWGRDXEFZMTCK-OLZOCXBDSA-N 2 2 267.373 -0.081 20 0 CBADLP C[N@H+](C[C@H](O)CN1C[C@H]2OCC[NH+](C)[C@@H]2C1)C1CC1 ZINC000336809520 353057719 /nfs/dbraw/zinc/05/77/19/353057719.db2.gz FSLCDAPPNKCHSX-BFHYXJOUSA-N 2 2 269.389 -0.544 20 0 CBADLP C[N@@H+](C[C@H](O)CN1C[C@H]2OCC[NH+](C)[C@@H]2C1)C1CC1 ZINC000336809520 353057720 /nfs/dbraw/zinc/05/77/20/353057720.db2.gz FSLCDAPPNKCHSX-BFHYXJOUSA-N 2 2 269.389 -0.544 20 0 CBADLP C[NH+](C[C@H](O)CN1C[C@H]2OCC[N@H+](C)[C@@H]2C1)C1CC1 ZINC000336809520 353057722 /nfs/dbraw/zinc/05/77/22/353057722.db2.gz FSLCDAPPNKCHSX-BFHYXJOUSA-N 2 2 269.389 -0.544 20 0 CBADLP C[NH+](C[C@H](O)CN1C[C@H]2OCC[N@@H+](C)[C@@H]2C1)C1CC1 ZINC000336809520 353057724 /nfs/dbraw/zinc/05/77/24/353057724.db2.gz FSLCDAPPNKCHSX-BFHYXJOUSA-N 2 2 269.389 -0.544 20 0 CBADLP COC(=O)CNC(=O)C[N@H+](C)CCC[NH+]1CCCC1 ZINC000337226653 353079602 /nfs/dbraw/zinc/07/96/02/353079602.db2.gz PLPCZESGNNVPTQ-UHFFFAOYSA-N 2 2 271.361 -0.307 20 0 CBADLP COC(=O)CNC(=O)C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337226653 353079604 /nfs/dbraw/zinc/07/96/04/353079604.db2.gz PLPCZESGNNVPTQ-UHFFFAOYSA-N 2 2 271.361 -0.307 20 0 CBADLP CNC(=O)NC(=O)C[N@H+](C)CCC[NH+]1CCCC1 ZINC000337275478 353080837 /nfs/dbraw/zinc/08/08/37/353080837.db2.gz QKGMOJYZPIGVTN-UHFFFAOYSA-N 2 2 256.350 -0.140 20 0 CBADLP CNC(=O)NC(=O)C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337275478 353080840 /nfs/dbraw/zinc/08/08/40/353080840.db2.gz QKGMOJYZPIGVTN-UHFFFAOYSA-N 2 2 256.350 -0.140 20 0 CBADLP CC[NH+](CC)CC(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000337520964 353084053 /nfs/dbraw/zinc/08/40/53/353084053.db2.gz XXGBETIEFKRJCK-UHFFFAOYSA-N 2 2 270.377 -0.734 20 0 CBADLP CC[NH+](CC)CC(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000337520964 353084057 /nfs/dbraw/zinc/08/40/57/353084057.db2.gz XXGBETIEFKRJCK-UHFFFAOYSA-N 2 2 270.377 -0.734 20 0 CBADLP C[NH+](C)C[C@@](C)(O)CNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338219979 353089160 /nfs/dbraw/zinc/08/91/60/353089160.db2.gz DWGQTPZYIWZDKO-AWEZNQCLSA-N 2 2 287.404 -0.474 20 0 CBADLP CC[N@H+](CCO)CCNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338221109 353090184 /nfs/dbraw/zinc/09/01/84/353090184.db2.gz NQNLPIOHBZOBIR-UHFFFAOYSA-N 2 2 287.404 -0.472 20 0 CBADLP CC[N@@H+](CCO)CCNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338221109 353090186 /nfs/dbraw/zinc/09/01/86/353090186.db2.gz NQNLPIOHBZOBIR-UHFFFAOYSA-N 2 2 287.404 -0.472 20 0 CBADLP C[C@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)CCO1 ZINC000338266720 353091697 /nfs/dbraw/zinc/09/16/97/353091697.db2.gz OPFPIUZFTZJDDN-LBPRGKRZSA-N 2 2 255.362 -0.129 20 0 CBADLP C[C@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)CCO1 ZINC000338266720 353091701 /nfs/dbraw/zinc/09/17/01/353091701.db2.gz OPFPIUZFTZJDDN-LBPRGKRZSA-N 2 2 255.362 -0.129 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCN3C(=O)CC[C@H]3C2)CC1 ZINC000338287857 353093562 /nfs/dbraw/zinc/09/35/62/353093562.db2.gz WWMNTWHBBKQXAA-ZDUSSCGKSA-N 2 2 294.399 -0.543 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCN3C(=O)CC[C@H]3C2)CC1 ZINC000338287857 353093565 /nfs/dbraw/zinc/09/35/65/353093565.db2.gz WWMNTWHBBKQXAA-ZDUSSCGKSA-N 2 2 294.399 -0.543 20 0 CBADLP COC(=O)C(C)(C)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000338305822 353094393 /nfs/dbraw/zinc/09/43/93/353094393.db2.gz KUTNFXZHWIKQLL-UHFFFAOYSA-N 2 2 271.361 -0.308 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@@H+]2C[C@@H]3COC[C@H](C2)O3)CC1 ZINC000338370627 353098918 /nfs/dbraw/zinc/09/89/18/353098918.db2.gz XETQGIGBKFBQSW-BETUJISGSA-N 2 2 283.372 -0.750 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@H+]2C[C@@H]3COC[C@H](C2)O3)CC1 ZINC000338370627 353098920 /nfs/dbraw/zinc/09/89/20/353098920.db2.gz XETQGIGBKFBQSW-BETUJISGSA-N 2 2 283.372 -0.750 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NCC[NH+](C)C(C)C ZINC000338425850 353101607 /nfs/dbraw/zinc/10/16/07/353101607.db2.gz RCQRKMPRQNZGLS-UHFFFAOYSA-N 2 2 286.420 -0.101 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NCC[NH+](C)C(C)C ZINC000338425850 353101608 /nfs/dbraw/zinc/10/16/08/353101608.db2.gz RCQRKMPRQNZGLS-UHFFFAOYSA-N 2 2 286.420 -0.101 20 0 CBADLP CC(C)NC(=O)C[NH+](C)CC(=O)NCC[N@H+](C)C(C)C ZINC000338425850 353101609 /nfs/dbraw/zinc/10/16/09/353101609.db2.gz RCQRKMPRQNZGLS-UHFFFAOYSA-N 2 2 286.420 -0.101 20 0 CBADLP CC(C)NC(=O)C[NH+](C)CC(=O)NCC[N@@H+](C)C(C)C ZINC000338425850 353101610 /nfs/dbraw/zinc/10/16/10/353101610.db2.gz RCQRKMPRQNZGLS-UHFFFAOYSA-N 2 2 286.420 -0.101 20 0 CBADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCn2cc(C(=O)OC)nn2)C1 ZINC000341269555 353207493 /nfs/dbraw/zinc/20/74/93/353207493.db2.gz LPUBRQKWUFCXMR-WDEREUQCSA-N 2 2 281.360 -0.006 20 0 CBADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCn2cc(C(=O)OC)nn2)C1 ZINC000341269555 353207495 /nfs/dbraw/zinc/20/74/95/353207495.db2.gz LPUBRQKWUFCXMR-WDEREUQCSA-N 2 2 281.360 -0.006 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CCC[NH2+]C1 ZINC000342699922 353227818 /nfs/dbraw/zinc/22/78/18/353227818.db2.gz WVHZMBDOQFWWET-RYUDHWBXSA-N 2 2 255.362 -0.177 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@H]1CCC[NH2+]C1 ZINC000342699922 353227822 /nfs/dbraw/zinc/22/78/22/353227822.db2.gz WVHZMBDOQFWWET-RYUDHWBXSA-N 2 2 255.362 -0.177 20 0 CBADLP C[C@@H]1[C@H](NC(=O)C(=O)NCc2[nH+]ccn2C)CCC[N@@H+]1C ZINC000342967110 353244255 /nfs/dbraw/zinc/24/42/55/353244255.db2.gz SMZRXMPWNWKHML-GHMZBOCLSA-N 2 2 293.371 -0.365 20 0 CBADLP C[C@@H]1[C@H](NC(=O)C(=O)NCc2[nH+]ccn2C)CCC[N@H+]1C ZINC000342967110 353244257 /nfs/dbraw/zinc/24/42/57/353244257.db2.gz SMZRXMPWNWKHML-GHMZBOCLSA-N 2 2 293.371 -0.365 20 0 CBADLP CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)NCc1[nH+]ccn1C ZINC000342978684 353244647 /nfs/dbraw/zinc/24/46/47/353244647.db2.gz KUPKZDWPPNACGS-NSHDSACASA-N 2 2 295.387 -0.117 20 0 CBADLP CC(C)[NH+]1CCO[C@H](C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)C1 ZINC000356530514 535217511 /nfs/dbraw/zinc/21/75/11/535217511.db2.gz PZQITRQQUMBJDU-KBPBESRZSA-N 2 2 299.415 -0.379 20 0 CBADLP CC(C)[NH+]1CCO[C@H](C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)C1 ZINC000356530514 535217515 /nfs/dbraw/zinc/21/75/15/535217515.db2.gz PZQITRQQUMBJDU-KBPBESRZSA-N 2 2 299.415 -0.379 20 0 CBADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1(C(N)=O)CCOCC1 ZINC000343278122 353263547 /nfs/dbraw/zinc/26/35/47/353263547.db2.gz JGNQSKAUZULOSU-QWRGUYRKSA-N 2 2 255.362 -0.192 20 0 CBADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1(C(N)=O)CCOCC1 ZINC000343278122 353263551 /nfs/dbraw/zinc/26/35/51/353263551.db2.gz JGNQSKAUZULOSU-QWRGUYRKSA-N 2 2 255.362 -0.192 20 0 CBADLP C[N@@H+]1CCO[C@@H]2CN(C(=O)NCCn3cc[nH+]c3)C[C@@H]21 ZINC000156712857 188278254 /nfs/dbraw/zinc/27/82/54/188278254.db2.gz SVFJXGVHBSGXEU-NWDGAFQWSA-N 2 2 279.344 -0.393 20 0 CBADLP C[N@H+]1CCO[C@@H]2CN(C(=O)NCCn3cc[nH+]c3)C[C@@H]21 ZINC000156712857 188278255 /nfs/dbraw/zinc/27/82/55/188278255.db2.gz SVFJXGVHBSGXEU-NWDGAFQWSA-N 2 2 279.344 -0.393 20 0 CBADLP CN(C)C(=O)C[N@H+](C)[C@@H]1CCC[NH+](CC(=O)N(C)C)CC1 ZINC000156973175 188290383 /nfs/dbraw/zinc/29/03/83/188290383.db2.gz HNVOGXLOPFZEFQ-CYBMUJFWSA-N 2 2 298.431 -0.051 20 0 CBADLP CN(C)C(=O)C[N@@H+](C)[C@@H]1CCC[NH+](CC(=O)N(C)C)CC1 ZINC000156973175 188290385 /nfs/dbraw/zinc/29/03/85/188290385.db2.gz HNVOGXLOPFZEFQ-CYBMUJFWSA-N 2 2 298.431 -0.051 20 0 CBADLP CN(C)C(=O)C[NH+](C)[C@@H]1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC000156973175 188290386 /nfs/dbraw/zinc/29/03/86/188290386.db2.gz HNVOGXLOPFZEFQ-CYBMUJFWSA-N 2 2 298.431 -0.051 20 0 CBADLP CN(C)C(=O)C[NH+](C)[C@@H]1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC000156973175 188290387 /nfs/dbraw/zinc/29/03/87/188290387.db2.gz HNVOGXLOPFZEFQ-CYBMUJFWSA-N 2 2 298.431 -0.051 20 0 CBADLP CCC[NH+]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000345420837 353329754 /nfs/dbraw/zinc/32/97/54/353329754.db2.gz FFHKJZAIKFAKDQ-GFCCVEGCSA-N 2 2 255.362 -0.129 20 0 CBADLP CCC[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000345420837 353329757 /nfs/dbraw/zinc/32/97/57/353329757.db2.gz FFHKJZAIKFAKDQ-GFCCVEGCSA-N 2 2 255.362 -0.129 20 0 CBADLP CC[NH+]1CCN(CC(=O)NCC[N@@H+]2CCOC[C@H]2C)CC1 ZINC000345440196 353331350 /nfs/dbraw/zinc/33/13/50/353331350.db2.gz PEHHRGVMVNUCSO-CQSZACIVSA-N 2 2 298.431 -0.539 20 0 CBADLP CC[NH+]1CCN(CC(=O)NCC[N@H+]2CCOC[C@H]2C)CC1 ZINC000345440196 353331351 /nfs/dbraw/zinc/33/13/51/353331351.db2.gz PEHHRGVMVNUCSO-CQSZACIVSA-N 2 2 298.431 -0.539 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000345673292 353342948 /nfs/dbraw/zinc/34/29/48/353342948.db2.gz GAGXYMSMXBGZLA-GFCCVEGCSA-N 2 2 271.361 -0.892 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000345673292 353342953 /nfs/dbraw/zinc/34/29/53/353342953.db2.gz GAGXYMSMXBGZLA-GFCCVEGCSA-N 2 2 271.361 -0.892 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]([NH3+])CC(F)F ZINC000345688468 353343881 /nfs/dbraw/zinc/34/38/81/353343881.db2.gz IRBWAQNUVKTYDZ-DTWKUNHWSA-N 2 2 265.304 -0.194 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@H]([NH3+])CC(F)F ZINC000345688468 353343882 /nfs/dbraw/zinc/34/38/82/353343882.db2.gz IRBWAQNUVKTYDZ-DTWKUNHWSA-N 2 2 265.304 -0.194 20 0 CBADLP Cn1ccnc(N2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)c1=O ZINC000346957636 353394242 /nfs/dbraw/zinc/39/42/42/353394242.db2.gz CUYWHLWGMVBNTO-ZDUSSCGKSA-N 2 2 291.399 -0.098 20 0 CBADLP C[C@H](C(=O)N1CC[N@H+](C)C[C@@H]1C)N1CC[NH+](C)CC1 ZINC000346247945 353368202 /nfs/dbraw/zinc/36/82/02/353368202.db2.gz WQRCEYMLCAKREA-QWHCGFSZSA-N 2 2 268.405 -0.215 20 0 CBADLP C[C@H](C(=O)N1CC[N@@H+](C)C[C@@H]1C)N1CC[NH+](C)CC1 ZINC000346247945 353368205 /nfs/dbraw/zinc/36/82/05/353368205.db2.gz WQRCEYMLCAKREA-QWHCGFSZSA-N 2 2 268.405 -0.215 20 0 CBADLP COC[C@@H](O)C[NH+]1CCN(Cc2[nH+]ccn2C)CC1 ZINC000346633653 353386535 /nfs/dbraw/zinc/38/65/35/353386535.db2.gz YLBGFEYDNBNVHC-LBPRGKRZSA-N 2 2 268.361 -0.455 20 0 CBADLP COC(=O)[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000348192403 353414013 /nfs/dbraw/zinc/41/40/13/353414013.db2.gz YSKWRDWPOAUAEV-ZDUSSCGKSA-N 2 2 283.372 -0.308 20 0 CBADLP CC1(C)COCC[N@@H+]1CCNC(=O)CCOC1C[NH2+]C1 ZINC000349046656 353446283 /nfs/dbraw/zinc/44/62/83/353446283.db2.gz FPJLWJXMYUYVKJ-UHFFFAOYSA-N 2 2 285.388 -0.408 20 0 CBADLP CC1(C)COCC[N@H+]1CCNC(=O)CCOC1C[NH2+]C1 ZINC000349046656 353446284 /nfs/dbraw/zinc/44/62/84/353446284.db2.gz FPJLWJXMYUYVKJ-UHFFFAOYSA-N 2 2 285.388 -0.408 20 0 CBADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCCn1cc[nH+]c1 ZINC000349778965 353462931 /nfs/dbraw/zinc/46/29/31/353462931.db2.gz RQRSRJXPJRTVRF-LBPRGKRZSA-N 2 2 280.376 -0.572 20 0 CBADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NCCn1cc[nH+]c1 ZINC000349778965 353462936 /nfs/dbraw/zinc/46/29/36/353462936.db2.gz RQRSRJXPJRTVRF-LBPRGKRZSA-N 2 2 280.376 -0.572 20 0 CBADLP C[C@@H](C(=O)NCCC[NH+]1CCOCC1)N1CC[NH+](C)CC1 ZINC000352780467 353505694 /nfs/dbraw/zinc/50/56/94/353505694.db2.gz UOEMDOBAMWRAEK-AWEZNQCLSA-N 2 2 298.431 -0.539 20 0 CBADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCC[NH+]1CCOCC1 ZINC000353052476 353519406 /nfs/dbraw/zinc/51/94/06/353519406.db2.gz PRVLLGBKFNSJJL-NEPJUHHUSA-N 2 2 255.362 -0.177 20 0 CBADLP CCCC[C@@H]([NH3+])C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000353167872 353524270 /nfs/dbraw/zinc/52/42/70/353524270.db2.gz AILPABMPRRWOOI-LLVKDONJSA-N 2 2 284.404 -0.088 20 0 CBADLP CCCC[C@H]([NH3+])C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000353167876 353524422 /nfs/dbraw/zinc/52/44/22/353524422.db2.gz AILPABMPRRWOOI-NSHDSACASA-N 2 2 284.404 -0.088 20 0 CBADLP CNS(=O)(=O)CC[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352742823 353504172 /nfs/dbraw/zinc/50/41/72/353504172.db2.gz QOIKUFPTGMYTKI-UHFFFAOYSA-N 2 2 292.430 -0.157 20 0 CBADLP CN(CCC(N)=O)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000354634635 353573631 /nfs/dbraw/zinc/57/36/31/353573631.db2.gz POKDMSMDJGFGKA-UHFFFAOYSA-N 2 2 299.419 -0.471 20 0 CBADLP C[C@H](C(=O)NC[C@@]1(O)CC[N@H+](C)C1)[NH+]1CCSCC1 ZINC000358054205 353622437 /nfs/dbraw/zinc/62/24/37/353622437.db2.gz JZVPMHAFGHSDRX-YPMHNXCESA-N 2 2 287.429 -0.394 20 0 CBADLP C[C@H](C(=O)NC[C@@]1(O)CC[N@@H+](C)C1)[NH+]1CCSCC1 ZINC000358054205 353622439 /nfs/dbraw/zinc/62/24/39/353622439.db2.gz JZVPMHAFGHSDRX-YPMHNXCESA-N 2 2 287.429 -0.394 20 0 CBADLP CO[C@H](C)[C@@H](C)[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000358159626 353630284 /nfs/dbraw/zinc/63/02/84/353630284.db2.gz REVXGMRZPWPGFH-MCIONIFRSA-N 2 2 299.415 -0.068 20 0 CBADLP C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359280717 353653228 /nfs/dbraw/zinc/65/32/28/353653228.db2.gz ICOQEWLHQNOBMW-SDDRHHMPSA-N 2 2 294.399 -0.737 20 0 CBADLP C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359280717 353653231 /nfs/dbraw/zinc/65/32/31/353653231.db2.gz ICOQEWLHQNOBMW-SDDRHHMPSA-N 2 2 294.399 -0.737 20 0 CBADLP O=C(NCCc1cn2ccccc2[nH+]1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000357930933 353615551 /nfs/dbraw/zinc/61/55/51/353615551.db2.gz WAZOBMUYWBCNPB-NEPJUHHUSA-N 2 2 274.324 -0.284 20 0 CBADLP C[NH+](C)CC(=O)N1C[C@H]2[C@H](C1)CCCN2C(=O)C[NH+](C)C ZINC000358002054 353619622 /nfs/dbraw/zinc/61/96/22/353619622.db2.gz SFQDYPPOKDDDND-STQMWFEESA-N 2 2 296.415 -0.441 20 0 CBADLP O[C@@H]1COC[C@@H]1[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000361301485 353660738 /nfs/dbraw/zinc/66/07/38/353660738.db2.gz WYRUTDUEDLUBAY-MELADBBJSA-N 2 2 270.373 -0.210 20 0 CBADLP CC[NH+](CC)CCN1CCO[C@H](C[N@H+](C)CC(N)=O)C1 ZINC000367051246 353680004 /nfs/dbraw/zinc/68/00/04/353680004.db2.gz XETVFFXJXRSDHK-CYBMUJFWSA-N 2 2 286.420 -0.554 20 0 CBADLP CC[NH+](CC)CCN1CCO[C@H](C[N@@H+](C)CC(N)=O)C1 ZINC000367051246 353680006 /nfs/dbraw/zinc/68/00/06/353680006.db2.gz XETVFFXJXRSDHK-CYBMUJFWSA-N 2 2 286.420 -0.554 20 0 CBADLP CCN(C)C(=O)C[NH+]1CCC(N2CC[N@H+](C)CC2=O)CC1 ZINC000371641995 353705105 /nfs/dbraw/zinc/70/51/05/353705105.db2.gz KMLZKALITQWSLU-UHFFFAOYSA-N 2 2 296.415 -0.297 20 0 CBADLP CCN(C)C(=O)C[NH+]1CCC(N2CC[N@@H+](C)CC2=O)CC1 ZINC000371641995 353705109 /nfs/dbraw/zinc/70/51/09/353705109.db2.gz KMLZKALITQWSLU-UHFFFAOYSA-N 2 2 296.415 -0.297 20 0 CBADLP CCOCC[N@@H+]1CCN(C(=O)[C@@H]2C[C@@H](O)C[NH2+]2)C[C@H]1C ZINC000372099569 353710289 /nfs/dbraw/zinc/71/02/89/353710289.db2.gz WDIKMDGJUCCDQU-UPJWGTAASA-N 2 2 285.388 -0.722 20 0 CBADLP CCOCC[N@H+]1CCN(C(=O)[C@@H]2C[C@@H](O)C[NH2+]2)C[C@H]1C ZINC000372099569 353710292 /nfs/dbraw/zinc/71/02/92/353710292.db2.gz WDIKMDGJUCCDQU-UPJWGTAASA-N 2 2 285.388 -0.722 20 0 CBADLP O=C([C@@H]1COCC[NH2+]1)N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000372103566 353710535 /nfs/dbraw/zinc/71/05/35/353710535.db2.gz VHZSNOQXMNHRPT-NEPJUHHUSA-N 2 2 285.413 -0.376 20 0 CBADLP O=C([C@@H]1CSC[NH2+]1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000372099459 353710746 /nfs/dbraw/zinc/71/07/46/353710746.db2.gz VAMACHVMIQIOTK-SDDRHHMPSA-N 2 2 285.413 -0.294 20 0 CBADLP C[N@H+](CC(N)=O)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372370607 353715811 /nfs/dbraw/zinc/71/58/11/353715811.db2.gz RNZJEUDOBLSRRV-LBPRGKRZSA-N 2 2 254.378 -0.428 20 0 CBADLP C[N@@H+](CC(N)=O)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372370607 353715815 /nfs/dbraw/zinc/71/58/15/353715815.db2.gz RNZJEUDOBLSRRV-LBPRGKRZSA-N 2 2 254.378 -0.428 20 0 CBADLP CN(CC(N)=O)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372370607 353715818 /nfs/dbraw/zinc/71/58/18/353715818.db2.gz RNZJEUDOBLSRRV-LBPRGKRZSA-N 2 2 254.378 -0.428 20 0 CBADLP CN(CC(N)=O)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372370607 353715820 /nfs/dbraw/zinc/71/58/20/353715820.db2.gz RNZJEUDOBLSRRV-LBPRGKRZSA-N 2 2 254.378 -0.428 20 0 CBADLP CC(C)[C@H](O)C[N@@H+]1CCO[C@H](CN2CC[NH+](C)CC2)C1 ZINC000373004527 353724910 /nfs/dbraw/zinc/72/49/10/353724910.db2.gz YJJNYVQVNIFQDY-HUUCEWRRSA-N 2 2 285.432 -0.049 20 0 CBADLP CC[C@@H]1C[N@H+](CCS(=O)(=O)N(C)C)CC[C@H]1[NH3+] ZINC000383926390 353785590 /nfs/dbraw/zinc/78/55/90/353785590.db2.gz DTUSKSKZUUMSAQ-GHMZBOCLSA-N 2 2 263.407 -0.063 20 0 CBADLP CC[C@@H]1C[N@@H+](CCS(=O)(=O)N(C)C)CC[C@H]1[NH3+] ZINC000383926390 353785591 /nfs/dbraw/zinc/78/55/91/353785591.db2.gz DTUSKSKZUUMSAQ-GHMZBOCLSA-N 2 2 263.407 -0.063 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCO[C@@]3(CCCOC3)C2)CC1 ZINC000375654280 353765220 /nfs/dbraw/zinc/76/52/20/353765220.db2.gz SXTOVUJSABHMPK-HNNXBMFYSA-N 2 2 297.399 -0.358 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CCO[C@@]3(CCCOC3)C2)CC1 ZINC000375654280 353765223 /nfs/dbraw/zinc/76/52/23/353765223.db2.gz SXTOVUJSABHMPK-HNNXBMFYSA-N 2 2 297.399 -0.358 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@H]3CCOC(=O)[C@@H]32)CC1 ZINC000375888821 353769378 /nfs/dbraw/zinc/76/93/78/353769378.db2.gz IBNSBNOZCPOOEN-GXTWGEPZSA-N 2 2 295.383 -0.212 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@H]3CCOC(=O)[C@@H]32)CC1 ZINC000375888821 353769380 /nfs/dbraw/zinc/76/93/80/353769380.db2.gz IBNSBNOZCPOOEN-GXTWGEPZSA-N 2 2 295.383 -0.212 20 0 CBADLP CNC(=O)NC(=O)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000377295886 353777692 /nfs/dbraw/zinc/77/76/92/353777692.db2.gz BYDSOLUUIMZFTR-JTQLQIEISA-N 2 2 256.350 -0.142 20 0 CBADLP CNC(=O)NC(=O)C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000377295886 353777693 /nfs/dbraw/zinc/77/76/93/353777693.db2.gz BYDSOLUUIMZFTR-JTQLQIEISA-N 2 2 256.350 -0.142 20 0 CBADLP O=S(=O)(C[C@H]1C[NH2+]CCO1)N1CC[NH+](C2CC2)CC1 ZINC000382339051 353784376 /nfs/dbraw/zinc/78/43/76/353784376.db2.gz XQMYAVVPJCHCCK-GFCCVEGCSA-N 2 2 289.401 -0.915 20 0 CBADLP CC[C@@H]1C[N@H+](C[C@H](O)C[NH+](C)CCOC)C[C@H]1O ZINC000400050300 353798867 /nfs/dbraw/zinc/79/88/67/353798867.db2.gz WLQJVKVMLRPHRW-JHJVBQTASA-N 2 2 260.378 -0.372 20 0 CBADLP CC[C@@H]1C[N@@H+](C[C@H](O)C[NH+](C)CCOC)C[C@H]1O ZINC000400050300 353798868 /nfs/dbraw/zinc/79/88/68/353798868.db2.gz WLQJVKVMLRPHRW-JHJVBQTASA-N 2 2 260.378 -0.372 20 0 CBADLP CC[C@@H]1C[NH+](C[C@H](O)C[N@H+](C)CCOC)C[C@H]1O ZINC000400050300 353798871 /nfs/dbraw/zinc/79/88/71/353798871.db2.gz WLQJVKVMLRPHRW-JHJVBQTASA-N 2 2 260.378 -0.372 20 0 CBADLP CC[C@@H]1C[NH+](C[C@H](O)C[N@@H+](C)CCOC)C[C@H]1O ZINC000400050300 353798874 /nfs/dbraw/zinc/79/88/74/353798874.db2.gz WLQJVKVMLRPHRW-JHJVBQTASA-N 2 2 260.378 -0.372 20 0 CBADLP C[C@H]([NH2+][C@@H]1CCN(S(C)(=O)=O)C1)[C@H]1CCC[NH2+]1 ZINC000400179788 353799641 /nfs/dbraw/zinc/79/96/41/353799641.db2.gz QVBGDYUKSAVBQR-HBNTYKKESA-N 2 2 261.391 -0.250 20 0 CBADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](S(N)(=O)=O)C1 ZINC000407949451 353809329 /nfs/dbraw/zinc/80/93/29/353809329.db2.gz JFUXKLYAVDSLIA-MNOVXSKESA-N 2 2 261.391 -0.167 20 0 CBADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](S(N)(=O)=O)C1 ZINC000407949451 353809332 /nfs/dbraw/zinc/80/93/32/353809332.db2.gz JFUXKLYAVDSLIA-MNOVXSKESA-N 2 2 261.391 -0.167 20 0 CBADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000407949451 353809334 /nfs/dbraw/zinc/80/93/34/353809334.db2.gz JFUXKLYAVDSLIA-MNOVXSKESA-N 2 2 261.391 -0.167 20 0 CBADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000407949451 353809335 /nfs/dbraw/zinc/80/93/35/353809335.db2.gz JFUXKLYAVDSLIA-MNOVXSKESA-N 2 2 261.391 -0.167 20 0 CBADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000407949449 353809460 /nfs/dbraw/zinc/80/94/60/353809460.db2.gz JFUXKLYAVDSLIA-GHMZBOCLSA-N 2 2 261.391 -0.167 20 0 CBADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000407949449 353809461 /nfs/dbraw/zinc/80/94/61/353809461.db2.gz JFUXKLYAVDSLIA-GHMZBOCLSA-N 2 2 261.391 -0.167 20 0 CBADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000407949449 353809463 /nfs/dbraw/zinc/80/94/63/353809463.db2.gz JFUXKLYAVDSLIA-GHMZBOCLSA-N 2 2 261.391 -0.167 20 0 CBADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000407949449 353809464 /nfs/dbraw/zinc/80/94/64/353809464.db2.gz JFUXKLYAVDSLIA-GHMZBOCLSA-N 2 2 261.391 -0.167 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H](NC(N)=O)C2)CC1 ZINC000408025795 353827729 /nfs/dbraw/zinc/82/77/29/353827729.db2.gz UHYZOQRHBPVYPV-RYUDHWBXSA-N 2 2 297.403 -0.718 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H](NC(N)=O)C2)CC1 ZINC000408025795 353827732 /nfs/dbraw/zinc/82/77/32/353827732.db2.gz UHYZOQRHBPVYPV-RYUDHWBXSA-N 2 2 297.403 -0.718 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@@H](NC(N)=O)C2)CC1 ZINC000408025798 353827961 /nfs/dbraw/zinc/82/79/61/353827961.db2.gz UHYZOQRHBPVYPV-VXGBXAGGSA-N 2 2 297.403 -0.718 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@@H](NC(N)=O)C2)CC1 ZINC000408025798 353827963 /nfs/dbraw/zinc/82/79/63/353827963.db2.gz UHYZOQRHBPVYPV-VXGBXAGGSA-N 2 2 297.403 -0.718 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)N2CC[NH+](C[C@@H](C)O)CC2)[N@H+](C)C1 ZINC000408046326 353836243 /nfs/dbraw/zinc/83/62/43/353836243.db2.gz KSSSVEQOJLDKPT-AGIUHOORSA-N 2 2 285.388 -0.770 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)N2CC[NH+](C[C@@H](C)O)CC2)[N@@H+](C)C1 ZINC000408046326 353836244 /nfs/dbraw/zinc/83/62/44/353836244.db2.gz KSSSVEQOJLDKPT-AGIUHOORSA-N 2 2 285.388 -0.770 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCSC[C@H]1CO ZINC000388078601 353789088 /nfs/dbraw/zinc/78/90/88/353789088.db2.gz RPKSHDJMKYXXMI-NEPJUHHUSA-N 2 2 278.418 -0.665 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCSC[C@H]1CO ZINC000388078601 353789089 /nfs/dbraw/zinc/78/90/89/353789089.db2.gz RPKSHDJMKYXXMI-NEPJUHHUSA-N 2 2 278.418 -0.665 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCSC[C@H]1CO ZINC000388078601 353789091 /nfs/dbraw/zinc/78/90/91/353789091.db2.gz RPKSHDJMKYXXMI-NEPJUHHUSA-N 2 2 278.418 -0.665 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCSC[C@H]1CO ZINC000388078601 353789093 /nfs/dbraw/zinc/78/90/93/353789093.db2.gz RPKSHDJMKYXXMI-NEPJUHHUSA-N 2 2 278.418 -0.665 20 0 CBADLP CC[N@@H+]1CC[C@@H](NC[C@H](O)C[NH+]2CCOCC2)C1 ZINC000389282821 353790770 /nfs/dbraw/zinc/79/07/70/353790770.db2.gz VANXWUKMFQXLHZ-OLZOCXBDSA-N 2 2 257.378 -0.637 20 0 CBADLP CC[N@H+]1CC[C@@H](NC[C@H](O)C[NH+]2CCOCC2)C1 ZINC000389282821 353790771 /nfs/dbraw/zinc/79/07/71/353790771.db2.gz VANXWUKMFQXLHZ-OLZOCXBDSA-N 2 2 257.378 -0.637 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](C(=O)OC)C1 ZINC000394032292 353794557 /nfs/dbraw/zinc/79/45/57/353794557.db2.gz LPOUGKBCQOMFMV-RYUDHWBXSA-N 2 2 274.361 -0.580 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](C(=O)OC)C1 ZINC000394032292 353794558 /nfs/dbraw/zinc/79/45/58/353794558.db2.gz LPOUGKBCQOMFMV-RYUDHWBXSA-N 2 2 274.361 -0.580 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](C(=O)OC)C1 ZINC000394032292 353794559 /nfs/dbraw/zinc/79/45/59/353794559.db2.gz LPOUGKBCQOMFMV-RYUDHWBXSA-N 2 2 274.361 -0.580 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](C(=O)OC)C1 ZINC000394032292 353794560 /nfs/dbraw/zinc/79/45/60/353794560.db2.gz LPOUGKBCQOMFMV-RYUDHWBXSA-N 2 2 274.361 -0.580 20 0 CBADLP C[C@H]1CN(C(=O)CNC(N)=O)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000408081575 353845376 /nfs/dbraw/zinc/84/53/76/353845376.db2.gz MSJIUBZZIAEFKJ-NSHDSACASA-N 2 2 297.403 -0.718 20 0 CBADLP C[C@H]1CN(C(=O)CNC(N)=O)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000408081575 353845378 /nfs/dbraw/zinc/84/53/78/353845378.db2.gz MSJIUBZZIAEFKJ-NSHDSACASA-N 2 2 297.403 -0.718 20 0 CBADLP C[C@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC[N@@H+]1CCO ZINC000408372937 353906061 /nfs/dbraw/zinc/90/60/61/353906061.db2.gz CHAJWJPNHLQUEC-STQMWFEESA-N 2 2 292.383 -0.030 20 0 CBADLP C[C@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC[N@H+]1CCO ZINC000408372937 353906063 /nfs/dbraw/zinc/90/60/63/353906063.db2.gz CHAJWJPNHLQUEC-STQMWFEESA-N 2 2 292.383 -0.030 20 0 CBADLP CC(=O)[C@](C)(O)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000408456033 353922659 /nfs/dbraw/zinc/92/26/59/353922659.db2.gz FYFWJKXVFWZJSM-DZGCQCFKSA-N 2 2 297.399 -0.435 20 0 CBADLP CC(=O)[C@](C)(O)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000408456033 353922661 /nfs/dbraw/zinc/92/26/61/353922661.db2.gz FYFWJKXVFWZJSM-DZGCQCFKSA-N 2 2 297.399 -0.435 20 0 CBADLP CC(=O)[C@@](C)(O)C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000408456034 353922840 /nfs/dbraw/zinc/92/28/40/353922840.db2.gz FYFWJKXVFWZJSM-HIFRSBDPSA-N 2 2 297.399 -0.435 20 0 CBADLP CC(=O)[C@@](C)(O)C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000408456034 353922842 /nfs/dbraw/zinc/92/28/42/353922842.db2.gz FYFWJKXVFWZJSM-HIFRSBDPSA-N 2 2 297.399 -0.435 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)NC(C)(C)C[NH+]2CCOCC2)C1 ZINC000408462751 353923973 /nfs/dbraw/zinc/92/39/73/353923973.db2.gz AHPJWWATSMPBNN-LBPRGKRZSA-N 2 2 285.388 -0.456 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)NC(C)(C)C[NH+]2CCOCC2)C1 ZINC000408462751 353923977 /nfs/dbraw/zinc/92/39/77/353923977.db2.gz AHPJWWATSMPBNN-LBPRGKRZSA-N 2 2 285.388 -0.456 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)NC(C)(C)C[NH+]2CCOCC2)C1 ZINC000408462749 353924153 /nfs/dbraw/zinc/92/41/53/353924153.db2.gz AHPJWWATSMPBNN-GFCCVEGCSA-N 2 2 285.388 -0.456 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)NC(C)(C)C[NH+]2CCOCC2)C1 ZINC000408462749 353924154 /nfs/dbraw/zinc/92/41/54/353924154.db2.gz AHPJWWATSMPBNN-GFCCVEGCSA-N 2 2 285.388 -0.456 20 0 CBADLP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000410892041 353937942 /nfs/dbraw/zinc/93/79/42/353937942.db2.gz LWCDXMARCAQLPM-UHFFFAOYSA-N 2 2 284.404 -0.441 20 0 CBADLP C[NH+](C)CC(=O)N1CC[NH+](CCC2(O)CCC2)CC1 ZINC000411165119 353939549 /nfs/dbraw/zinc/93/95/49/353939549.db2.gz OJKHTOYMWQRLFN-UHFFFAOYSA-N 2 2 269.389 -0.003 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CCC[C@@]2(C)CO)CC1 ZINC000408364394 353903631 /nfs/dbraw/zinc/90/36/31/353903631.db2.gz KRBQWGCATVRXND-JSGCOSHPSA-N 2 2 269.389 -0.099 20 0 CBADLP C[NH2+]C[C@@H](C)CNC(=O)NCC[NH+]1CCOCC1 ZINC000416432409 353968568 /nfs/dbraw/zinc/96/85/68/353968568.db2.gz KBENPGWHGZOPPF-LLVKDONJSA-N 2 2 258.366 -0.527 20 0 CBADLP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)NCC[NH+]1CCOCC1 ZINC000416432259 353968871 /nfs/dbraw/zinc/96/88/71/353968871.db2.gz DYSJMXHDOJXFMN-NWDGAFQWSA-N 2 2 270.377 -0.290 20 0 CBADLP C[C@H]1[NH2+]CCN(C(=O)NCC[NH+]2CCOCC2)[C@H]1C ZINC000416441412 353970076 /nfs/dbraw/zinc/97/00/76/353970076.db2.gz VHDLPGMHYXTPNK-NEPJUHHUSA-N 2 2 270.377 -0.290 20 0 CBADLP C[NH2+]CCNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000416816815 353973126 /nfs/dbraw/zinc/97/31/26/353973126.db2.gz JFZWRQZNOPJWPR-UHFFFAOYSA-N 2 2 258.366 -0.384 20 0 CBADLP C[C@H](C[NH3+])NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000417427360 353977893 /nfs/dbraw/zinc/97/78/93/353977893.db2.gz PULXHLYRCAKCEK-SNVBAGLBSA-N 2 2 258.366 -0.256 20 0 CBADLP C[C@H](C[NH3+])NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000417427360 353977895 /nfs/dbraw/zinc/97/78/95/353977895.db2.gz PULXHLYRCAKCEK-SNVBAGLBSA-N 2 2 258.366 -0.256 20 0 CBADLP CC1(C)COCC[N@@H+]1CCNC(=O)N1CC[C@H]([NH3+])C1 ZINC000417509207 353978747 /nfs/dbraw/zinc/97/87/47/353978747.db2.gz RIDCCPYABXLSAP-NSHDSACASA-N 2 2 270.377 -0.160 20 0 CBADLP CC1(C)COCC[N@H+]1CCNC(=O)N1CC[C@H]([NH3+])C1 ZINC000417509207 353978749 /nfs/dbraw/zinc/97/87/49/353978749.db2.gz RIDCCPYABXLSAP-NSHDSACASA-N 2 2 270.377 -0.160 20 0 CBADLP C[NH2+]C[C@@H](C)CNC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000417503964 353978755 /nfs/dbraw/zinc/97/87/55/353978755.db2.gz DSVCAHFUZKWCKG-NEPJUHHUSA-N 2 2 272.393 -0.138 20 0 CBADLP C[NH2+]C[C@@H](C)CNC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000417503964 353978757 /nfs/dbraw/zinc/97/87/57/353978757.db2.gz DSVCAHFUZKWCKG-NEPJUHHUSA-N 2 2 272.393 -0.138 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000417499894 353978807 /nfs/dbraw/zinc/97/88/07/353978807.db2.gz FRUDMKPGMAWNKZ-VXGBXAGGSA-N 2 2 270.377 -0.160 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000417499894 353978809 /nfs/dbraw/zinc/97/88/09/353978809.db2.gz FRUDMKPGMAWNKZ-VXGBXAGGSA-N 2 2 270.377 -0.160 20 0 CBADLP C[C@@H](C[NH3+])CNC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000417530552 353978847 /nfs/dbraw/zinc/97/88/47/353978847.db2.gz SJDRKJYIUYBCCX-WDEREUQCSA-N 2 2 258.366 -0.399 20 0 CBADLP C[C@@H](C[NH3+])CNC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000417530552 353978848 /nfs/dbraw/zinc/97/88/48/353978848.db2.gz SJDRKJYIUYBCCX-WDEREUQCSA-N 2 2 258.366 -0.399 20 0 CBADLP C[NH2+]CCNC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000417512226 353978940 /nfs/dbraw/zinc/97/89/40/353978940.db2.gz VLRQUXURHKOGIT-UHFFFAOYSA-N 2 2 258.366 -0.384 20 0 CBADLP C[NH2+]CCNC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000417512226 353978941 /nfs/dbraw/zinc/97/89/41/353978941.db2.gz VLRQUXURHKOGIT-UHFFFAOYSA-N 2 2 258.366 -0.384 20 0 CBADLP CC(C)[C@H]([NH3+])CNC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000417526179 353979087 /nfs/dbraw/zinc/97/90/87/353979087.db2.gz MEYHXIZHNHMNTR-NWDGAFQWSA-N 2 2 272.393 -0.010 20 0 CBADLP CC(C)[C@H]([NH3+])CNC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000417526179 353979090 /nfs/dbraw/zinc/97/90/90/353979090.db2.gz MEYHXIZHNHMNTR-NWDGAFQWSA-N 2 2 272.393 -0.010 20 0 CBADLP C[C@H](C[NH3+])CNC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000418211967 353988146 /nfs/dbraw/zinc/98/81/46/353988146.db2.gz LDSUJZLPHVXWPK-ZYHUDNBSSA-N 2 2 270.377 -0.256 20 0 CBADLP C[C@H](C[NH3+])CNC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000418211967 353988148 /nfs/dbraw/zinc/98/81/48/353988148.db2.gz LDSUJZLPHVXWPK-ZYHUDNBSSA-N 2 2 270.377 -0.256 20 0 CBADLP CC[C@@H]([NH3+])CNC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000418214139 353988276 /nfs/dbraw/zinc/98/82/76/353988276.db2.gz MXFLAFALVMBPKL-ZYHUDNBSSA-N 2 2 270.377 -0.114 20 0 CBADLP CC[C@@H]([NH3+])CNC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000418214139 353988280 /nfs/dbraw/zinc/98/82/80/353988280.db2.gz MXFLAFALVMBPKL-ZYHUDNBSSA-N 2 2 270.377 -0.114 20 0 CBADLP CC[C@@H]1C[N@H+](CCNC(=O)NCC[NH2+]C)CCO1 ZINC000418332221 353993863 /nfs/dbraw/zinc/99/38/63/353993863.db2.gz QZJDYGSGRVFZEO-LLVKDONJSA-N 2 2 258.366 -0.384 20 0 CBADLP CC[C@@H]1C[N@@H+](CCNC(=O)NCC[NH2+]C)CCO1 ZINC000418332221 353993865 /nfs/dbraw/zinc/99/38/65/353993865.db2.gz QZJDYGSGRVFZEO-LLVKDONJSA-N 2 2 258.366 -0.384 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000418371271 353994997 /nfs/dbraw/zinc/99/49/97/353994997.db2.gz POJVMSOMCIUDSS-GFCCVEGCSA-N 2 2 270.377 -0.288 20 0 CBADLP C[C@H](O)CNc1cc(N2CC[N@H+](CCO)[C@@H](C)C2)nc[nH+]1 ZINC000413249644 353952338 /nfs/dbraw/zinc/95/23/38/353952338.db2.gz MNKCQZGESPGKDY-RYUDHWBXSA-N 2 2 295.387 -0.228 20 0 CBADLP C[C@H](O)CNc1cc(N2CC[N@@H+](CCO)[C@@H](C)C2)nc[nH+]1 ZINC000413249644 353952342 /nfs/dbraw/zinc/95/23/42/353952342.db2.gz MNKCQZGESPGKDY-RYUDHWBXSA-N 2 2 295.387 -0.228 20 0 CBADLP CCC[NH2+]CCNC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000418473494 353997996 /nfs/dbraw/zinc/99/79/96/353997996.db2.gz ORLYQAYYOGEPGP-UHFFFAOYSA-N 2 2 299.419 -0.423 20 0 CBADLP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCn1cc[nH+]c1 ZINC000418891002 354014395 /nfs/dbraw/zinc/01/43/95/354014395.db2.gz SWTDUBIQSDZQBN-LBPRGKRZSA-N 2 2 293.371 -0.400 20 0 CBADLP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)NCCn1cc[nH+]c1 ZINC000418894443 354014860 /nfs/dbraw/zinc/01/48/60/354014860.db2.gz ZEUANFZTTFESPW-WDEREUQCSA-N 2 2 279.344 -0.792 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000419685066 354068949 /nfs/dbraw/zinc/06/89/49/354068949.db2.gz MPPZUTZBKRNPIP-SDDRHHMPSA-N 2 2 293.371 -0.403 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000419686972 354070484 /nfs/dbraw/zinc/07/04/84/354070484.db2.gz OPDDLVGFFQOESN-LLVKDONJSA-N 2 2 293.371 -0.402 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)CC1 ZINC000419860129 354086167 /nfs/dbraw/zinc/08/61/67/354086167.db2.gz KMWCCBCBRRTCPC-LLVKDONJSA-N 2 2 268.361 -0.996 20 0 CBADLP [NH3+][C@@H](CNC(=O)C(=O)N1CC[NH+](C2CC2)CC1)C1CC1 ZINC000419859720 354086224 /nfs/dbraw/zinc/08/62/24/354086224.db2.gz KAENQTIXYBZISW-LBPRGKRZSA-N 2 2 280.372 -0.854 20 0 CBADLP CNC(=O)NC(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420402919 354127881 /nfs/dbraw/zinc/12/78/81/354127881.db2.gz RALMLDNJFJNTSM-WDEREUQCSA-N 2 2 268.361 -0.094 20 0 CBADLP CNC(=O)NC(=O)C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420402919 354127886 /nfs/dbraw/zinc/12/78/86/354127886.db2.gz RALMLDNJFJNTSM-WDEREUQCSA-N 2 2 268.361 -0.094 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000419884245 354089834 /nfs/dbraw/zinc/08/98/34/354089834.db2.gz FTGLBSASCIVVHF-NSHDSACASA-N 2 2 268.361 -0.981 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)NCCC2=CC[NH2+]CC2)CC1 ZINC000420158432 354115087 /nfs/dbraw/zinc/11/50/87/354115087.db2.gz BJQFSSMMDNMNIE-UHFFFAOYSA-N 2 2 294.399 -0.424 20 0 CBADLP CCOC(=O)C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000420302387 354121989 /nfs/dbraw/zinc/12/19/89/354121989.db2.gz FVCXUGQUWIJIBK-LLVKDONJSA-N 2 2 269.345 -0.554 20 0 CBADLP CCOC(=O)C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000420302387 354121990 /nfs/dbraw/zinc/12/19/90/354121990.db2.gz FVCXUGQUWIJIBK-LLVKDONJSA-N 2 2 269.345 -0.554 20 0 CBADLP CCOC(=O)CC[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000420301430 354122029 /nfs/dbraw/zinc/12/20/29/354122029.db2.gz DRYZWJAFMWQMQF-GFCCVEGCSA-N 2 2 283.372 -0.164 20 0 CBADLP CCOC(=O)CC[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000420301430 354122030 /nfs/dbraw/zinc/12/20/30/354122030.db2.gz DRYZWJAFMWQMQF-GFCCVEGCSA-N 2 2 283.372 -0.164 20 0 CBADLP COCCC[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000420312206 354122708 /nfs/dbraw/zinc/12/27/08/354122708.db2.gz RVWNMEUJYVHCSI-GFCCVEGCSA-N 2 2 255.362 -0.081 20 0 CBADLP COCCC[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000420312206 354122713 /nfs/dbraw/zinc/12/27/13/354122713.db2.gz RVWNMEUJYVHCSI-GFCCVEGCSA-N 2 2 255.362 -0.081 20 0 CBADLP CCN(C)C(=O)CC[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000420308745 354122845 /nfs/dbraw/zinc/12/28/45/354122845.db2.gz OABZNOPBHAMQIF-CYBMUJFWSA-N 2 2 296.415 -0.249 20 0 CBADLP CCN(C)C(=O)CC[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000420308745 354122847 /nfs/dbraw/zinc/12/28/47/354122847.db2.gz OABZNOPBHAMQIF-CYBMUJFWSA-N 2 2 296.415 -0.249 20 0 CBADLP COC(=O)CN(C)C(=O)CC[N@H+](C1CC1)[C@@H]1CC[NH2+]C1 ZINC000420313959 354123050 /nfs/dbraw/zinc/12/30/50/354123050.db2.gz JOBFOHHENJZBPH-GFCCVEGCSA-N 2 2 283.372 -0.166 20 0 CBADLP COC(=O)CN(C)C(=O)CC[N@@H+](C1CC1)[C@@H]1CC[NH2+]C1 ZINC000420313959 354123051 /nfs/dbraw/zinc/12/30/51/354123051.db2.gz JOBFOHHENJZBPH-GFCCVEGCSA-N 2 2 283.372 -0.166 20 0 CBADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420309640 354123054 /nfs/dbraw/zinc/12/30/54/354123054.db2.gz OYEZOYFQLLKQBE-KBPBESRZSA-N 3 2 280.416 -0.118 20 0 CBADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420309640 354123055 /nfs/dbraw/zinc/12/30/55/354123055.db2.gz OYEZOYFQLLKQBE-KBPBESRZSA-N 3 2 280.416 -0.118 20 0 CBADLP COC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000420316031 354123078 /nfs/dbraw/zinc/12/30/78/354123078.db2.gz XNPPZZJDUKUACF-GHMZBOCLSA-N 2 2 269.345 -0.556 20 0 CBADLP COC(=O)[C@@H](C)[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000420316031 354123079 /nfs/dbraw/zinc/12/30/79/354123079.db2.gz XNPPZZJDUKUACF-GHMZBOCLSA-N 2 2 269.345 -0.556 20 0 CBADLP CC(C)N(C)C(=O)C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000420317305 354123301 /nfs/dbraw/zinc/12/33/01/354123301.db2.gz ZIVUYPPUVZURQX-ZDUSSCGKSA-N 2 2 296.415 -0.251 20 0 CBADLP CC(C)N(C)C(=O)C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000420317305 354123304 /nfs/dbraw/zinc/12/33/04/354123304.db2.gz ZIVUYPPUVZURQX-ZDUSSCGKSA-N 2 2 296.415 -0.251 20 0 CBADLP C[C@@H]1CC[N@H+](CCC(=O)N2CC[NH2+]CC2)[C@@H](C[NH3+])C1 ZINC000420333986 354124401 /nfs/dbraw/zinc/12/44/01/354124401.db2.gz KOXOQZAQMSYFEX-CHWSQXEVSA-N 3 2 268.405 -0.133 20 0 CBADLP C[C@@H]1CC[N@@H+](CCC(=O)N2CC[NH2+]CC2)[C@@H](C[NH3+])C1 ZINC000420333986 354124404 /nfs/dbraw/zinc/12/44/04/354124404.db2.gz KOXOQZAQMSYFEX-CHWSQXEVSA-N 3 2 268.405 -0.133 20 0 CBADLP C[NH2+]CCC[N@@H+]1CC[C@@H](S(=O)(=O)NC(C)C)C1 ZINC000420365062 354125880 /nfs/dbraw/zinc/12/58/80/354125880.db2.gz DLZJMWMHTFLEJO-LLVKDONJSA-N 2 2 263.407 -0.002 20 0 CBADLP C[NH2+]CCC[N@H+]1CC[C@@H](S(=O)(=O)NC(C)C)C1 ZINC000420365062 354125884 /nfs/dbraw/zinc/12/58/84/354125884.db2.gz DLZJMWMHTFLEJO-LLVKDONJSA-N 2 2 263.407 -0.002 20 0 CBADLP COCCCS(=O)(=O)NCC[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000420370476 354126487 /nfs/dbraw/zinc/12/64/87/354126487.db2.gz VXMIUFBTTCHIHP-NSHDSACASA-N 2 2 295.449 -0.095 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCCO[C@@H](C[NH3+])C2)CC1 ZINC000420398092 354126679 /nfs/dbraw/zinc/12/66/79/354126679.db2.gz YKIRHEBQXMPCLJ-KBPBESRZSA-N 3 2 298.431 -0.411 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCCO[C@@H](C[NH3+])C2)CC1 ZINC000420398092 354126681 /nfs/dbraw/zinc/12/66/81/354126681.db2.gz YKIRHEBQXMPCLJ-KBPBESRZSA-N 3 2 298.431 -0.411 20 0 CBADLP COC[C@@]1(C(=O)NCC[N@@H+]2CCOC[C@H]2C)CC[NH2+]C1 ZINC000423365406 354172593 /nfs/dbraw/zinc/17/25/93/354172593.db2.gz BPUFURCYGJOCOQ-TZMCWYRMSA-N 2 2 285.388 -0.551 20 0 CBADLP COC[C@@]1(C(=O)NCC[N@H+]2CCOC[C@H]2C)CC[NH2+]C1 ZINC000423365406 354172595 /nfs/dbraw/zinc/17/25/95/354172595.db2.gz BPUFURCYGJOCOQ-TZMCWYRMSA-N 2 2 285.388 -0.551 20 0 CBADLP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N2CC[NH2+][C@@H](C)C2)C[C@H]1C ZINC000423365430 354172808 /nfs/dbraw/zinc/17/28/08/354172808.db2.gz BFGZIYWVQLZRFH-YNEHKIRRSA-N 2 2 296.415 -0.252 20 0 CBADLP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N2CC[NH2+][C@@H](C)C2)C[C@H]1C ZINC000423365430 354172810 /nfs/dbraw/zinc/17/28/10/354172810.db2.gz BFGZIYWVQLZRFH-YNEHKIRRSA-N 2 2 296.415 -0.252 20 0 CBADLP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N2CC[NH2+]CC2)C[C@@H]1C ZINC000423383776 354173944 /nfs/dbraw/zinc/17/39/44/354173944.db2.gz KRYAGTDNIHWNQJ-NWDGAFQWSA-N 2 2 282.388 -0.641 20 0 CBADLP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N2CC[NH2+]CC2)C[C@@H]1C ZINC000423383776 354173946 /nfs/dbraw/zinc/17/39/46/354173946.db2.gz KRYAGTDNIHWNQJ-NWDGAFQWSA-N 2 2 282.388 -0.641 20 0 CBADLP COC[C@]1(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC[NH2+]C1 ZINC000423392297 354174381 /nfs/dbraw/zinc/17/43/81/354174381.db2.gz PYISNSIMRSNCBI-HNNXBMFYSA-N 2 2 299.415 -0.161 20 0 CBADLP COC[C@]1(C(=O)NCC[N@H+]2CCOC(C)(C)C2)CC[NH2+]C1 ZINC000423392297 354174384 /nfs/dbraw/zinc/17/43/84/354174384.db2.gz PYISNSIMRSNCBI-HNNXBMFYSA-N 2 2 299.415 -0.161 20 0 CBADLP C[C@H]([C@H](C)NC(=O)C1(C)C[NH2+]C1)[NH+]1CCOCC1 ZINC000423391562 354174751 /nfs/dbraw/zinc/17/47/51/354174751.db2.gz XBNUOYIBBWFQEC-WDEREUQCSA-N 2 2 255.362 -0.179 20 0 CBADLP C[C@H]1CN(C(=O)C2(C)C[NH2+]C2)C[C@@H]1[NH+]1CCOCC1 ZINC000423428053 354175781 /nfs/dbraw/zinc/17/57/81/354175781.db2.gz JTZACMYVFYPIMW-RYUDHWBXSA-N 2 2 267.373 -0.225 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@@H+]2C[C@@H](CO)OC(C)(C)C2)CC1 ZINC000420933027 354138057 /nfs/dbraw/zinc/13/80/57/354138057.db2.gz HLFJNTAPUIYZIL-ZDUSSCGKSA-N 2 2 299.415 -0.378 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@H+]2C[C@@H](CO)OC(C)(C)C2)CC1 ZINC000420933027 354138059 /nfs/dbraw/zinc/13/80/59/354138059.db2.gz HLFJNTAPUIYZIL-ZDUSSCGKSA-N 2 2 299.415 -0.378 20 0 CBADLP O=C(N[C@H]1CC[NH2+]C1)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000422746856 354152257 /nfs/dbraw/zinc/15/22/57/354152257.db2.gz OOEYCEZTFRKJFQ-QWHCGFSZSA-N 2 2 267.373 -0.035 20 0 CBADLP O=C(N[C@H]1CC[NH2+]C1)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000422746856 354152260 /nfs/dbraw/zinc/15/22/60/354152260.db2.gz OOEYCEZTFRKJFQ-QWHCGFSZSA-N 2 2 267.373 -0.035 20 0 CBADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000422748541 354152364 /nfs/dbraw/zinc/15/23/64/354152364.db2.gz UYYUMOMKIUPOCY-VXGBXAGGSA-N 2 2 255.362 -0.035 20 0 CBADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000422748541 354152367 /nfs/dbraw/zinc/15/23/67/354152367.db2.gz UYYUMOMKIUPOCY-VXGBXAGGSA-N 2 2 255.362 -0.035 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC[NH2+][C@H](C)C1 ZINC000422835424 354155781 /nfs/dbraw/zinc/15/57/81/354155781.db2.gz IVNJPGHWBJTRAU-LLVKDONJSA-N 2 2 270.377 -0.737 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CC[NH2+][C@H](C)C1 ZINC000422835424 354155786 /nfs/dbraw/zinc/15/57/86/354155786.db2.gz IVNJPGHWBJTRAU-LLVKDONJSA-N 2 2 270.377 -0.737 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)CC1 ZINC000422980505 354159540 /nfs/dbraw/zinc/15/95/40/354159540.db2.gz PXUYHVNOHFCUAD-ZDUSSCGKSA-N 2 2 296.415 -0.262 20 0 CBADLP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CC[NH2+][C@H](C)C2)CC1 ZINC000423009717 354160195 /nfs/dbraw/zinc/16/01/95/354160195.db2.gz DMKSFELSYPCNPF-CYBMUJFWSA-N 2 2 296.415 -0.393 20 0 CBADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C3CC3)CC2)CC[NH2+]1 ZINC000423073873 354162800 /nfs/dbraw/zinc/16/28/00/354162800.db2.gz SIRXMAGDGJVPRQ-LLVKDONJSA-N 2 2 280.372 -0.887 20 0 CBADLP [NH3+]C[C@@H]1CN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)CCO1 ZINC000423535584 354179873 /nfs/dbraw/zinc/17/98/73/354179873.db2.gz DLBYVMJLWMWFOE-ZIAGYGMSSA-N 2 2 297.399 -0.327 20 0 CBADLP [NH3+]C[C@@H]1CN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)CCO1 ZINC000423535584 354179876 /nfs/dbraw/zinc/17/98/76/354179876.db2.gz DLBYVMJLWMWFOE-ZIAGYGMSSA-N 2 2 297.399 -0.327 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000423558218 354179939 /nfs/dbraw/zinc/17/99/39/354179939.db2.gz LBAKXSMYEZRJNW-RYUDHWBXSA-N 2 2 284.404 -0.443 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000423558218 354179942 /nfs/dbraw/zinc/17/99/42/354179942.db2.gz LBAKXSMYEZRJNW-RYUDHWBXSA-N 2 2 284.404 -0.443 20 0 CBADLP CC[NH2+]CC1CCN(C(=O)C(=O)N2CC[NH+](C)CC2)CC1 ZINC000423589877 354182021 /nfs/dbraw/zinc/18/20/21/354182021.db2.gz HWCKVBFYIVSVPO-UHFFFAOYSA-N 2 2 296.415 -0.392 20 0 CBADLP CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000423613263 354184581 /nfs/dbraw/zinc/18/45/81/354184581.db2.gz OYZQDFOVWLXIJP-UHFFFAOYSA-N 2 2 270.377 -0.796 20 0 CBADLP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)[C@@H](C)C[NH2+]1 ZINC000423634290 354186773 /nfs/dbraw/zinc/18/67/73/354186773.db2.gz QMJJOZTUZNVHJG-XQHKEYJVSA-N 2 2 296.415 -0.254 20 0 CBADLP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)[C@@H](C)C[NH2+]1 ZINC000423634290 354186776 /nfs/dbraw/zinc/18/67/76/354186776.db2.gz QMJJOZTUZNVHJG-XQHKEYJVSA-N 2 2 296.415 -0.254 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)CC1 ZINC000423667687 354190443 /nfs/dbraw/zinc/19/04/43/354190443.db2.gz JJEPADHDAHYNLN-VXGBXAGGSA-N 2 2 282.388 -0.654 20 0 CBADLP CC(C)[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)CC1 ZINC000423686109 354192183 /nfs/dbraw/zinc/19/21/83/354192183.db2.gz UBSAMTGGYKBSSW-BETUJISGSA-N 2 2 296.415 -0.252 20 0 CBADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000423731327 354194798 /nfs/dbraw/zinc/19/47/98/354194798.db2.gz YWYMWURABJJEBG-ZIAGYGMSSA-N 2 2 298.431 -0.493 20 0 CBADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000423731327 354194800 /nfs/dbraw/zinc/19/48/00/354194800.db2.gz YWYMWURABJJEBG-ZIAGYGMSSA-N 2 2 298.431 -0.493 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)[C@@H]1CCCC[NH2+]1 ZINC000423734546 354194957 /nfs/dbraw/zinc/19/49/57/354194957.db2.gz BALAABAGOLUUSE-LBPRGKRZSA-N 2 2 255.362 -0.081 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000423752757 354197116 /nfs/dbraw/zinc/19/71/16/354197116.db2.gz WFJTUZTTXKQAGP-ZDUSSCGKSA-N 2 2 285.388 -0.454 20 0 CBADLP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@@H]1COCC[NH2+]1 ZINC000423804433 354200288 /nfs/dbraw/zinc/20/02/88/354200288.db2.gz XVTIBVWJKNZWOS-ZDUSSCGKSA-N 2 2 299.415 -0.208 20 0 CBADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H]2C[NH2+]CCO2)[C@H](C)C1 ZINC000423864452 354203107 /nfs/dbraw/zinc/20/31/07/354203107.db2.gz YRMNQJKMAGQFLI-VXGBXAGGSA-N 2 2 299.371 -0.929 20 0 CBADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@H]2C[NH2+]CCO2)[C@H](C)C1 ZINC000423864452 354203110 /nfs/dbraw/zinc/20/31/10/354203110.db2.gz YRMNQJKMAGQFLI-VXGBXAGGSA-N 2 2 299.371 -0.929 20 0 CBADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H]2CCC[NH2+]2)C[C@@H]1C ZINC000423903415 354205447 /nfs/dbraw/zinc/20/54/47/354205447.db2.gz WPEBJHSOBTVIEL-NWDGAFQWSA-N 2 2 283.372 -0.166 20 0 CBADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@H]2CCC[NH2+]2)C[C@@H]1C ZINC000423903415 354205448 /nfs/dbraw/zinc/20/54/48/354205448.db2.gz WPEBJHSOBTVIEL-NWDGAFQWSA-N 2 2 283.372 -0.166 20 0 CBADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000424136344 354210532 /nfs/dbraw/zinc/21/05/32/354210532.db2.gz NUEMADYOBCIQKC-WCQGTBRESA-N 2 2 280.372 -0.855 20 0 CBADLP [NH3+][C@@H]1C[C@@H]1C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000424148988 354212515 /nfs/dbraw/zinc/21/25/15/354212515.db2.gz VPGAAQFBXQKXGV-QWHCGFSZSA-N 2 2 294.399 -0.606 20 0 CBADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000424179943 354215111 /nfs/dbraw/zinc/21/51/11/354215111.db2.gz MMCQVIVTHPEWIK-WXHSDQCUSA-N 2 2 283.372 -0.657 20 0 CBADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000424179943 354215115 /nfs/dbraw/zinc/21/51/15/354215115.db2.gz MMCQVIVTHPEWIK-WXHSDQCUSA-N 2 2 283.372 -0.657 20 0 CBADLP O=C(C[C@@H]1COCC[NH2+]1)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424186321 354216644 /nfs/dbraw/zinc/21/66/44/354216644.db2.gz GSNPXDQJVDAMGV-NXEZZACHSA-N 2 2 277.315 -0.274 20 0 CBADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000428990090 354246723 /nfs/dbraw/zinc/24/67/23/354246723.db2.gz HCUMWKFQHOTGKX-CABZTGNLSA-N 2 2 254.334 -0.403 20 0 CBADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000428990090 354246726 /nfs/dbraw/zinc/24/67/26/354246726.db2.gz HCUMWKFQHOTGKX-CABZTGNLSA-N 2 2 254.334 -0.403 20 0 CBADLP C[C@@H](C(=O)NC(N)=O)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000428990090 354246729 /nfs/dbraw/zinc/24/67/29/354246729.db2.gz HCUMWKFQHOTGKX-CABZTGNLSA-N 2 2 254.334 -0.403 20 0 CBADLP C[C@@H](C(=O)NC(N)=O)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000428990090 354246732 /nfs/dbraw/zinc/24/67/32/354246732.db2.gz HCUMWKFQHOTGKX-CABZTGNLSA-N 2 2 254.334 -0.403 20 0 CBADLP C[NH2+]C[C@@H]1CCC[N@@H+]1CCC(=O)N1CCOCC1 ZINC000430563275 354249637 /nfs/dbraw/zinc/24/96/37/354249637.db2.gz VDWPABCTQLKDBK-LBPRGKRZSA-N 2 2 255.362 -0.081 20 0 CBADLP C[NH2+]C[C@@H]1CCC[N@H+]1CCC(=O)N1CCOCC1 ZINC000430563275 354249640 /nfs/dbraw/zinc/24/96/40/354249640.db2.gz VDWPABCTQLKDBK-LBPRGKRZSA-N 2 2 255.362 -0.081 20 0 CBADLP C[NH2+]C[C@H]1CCC[N@@H+]1CCC(=O)N1CCOCC1 ZINC000430563274 354249923 /nfs/dbraw/zinc/24/99/23/354249923.db2.gz VDWPABCTQLKDBK-GFCCVEGCSA-N 2 2 255.362 -0.081 20 0 CBADLP C[NH2+]C[C@H]1CCC[N@H+]1CCC(=O)N1CCOCC1 ZINC000430563274 354249925 /nfs/dbraw/zinc/24/99/25/354249925.db2.gz VDWPABCTQLKDBK-GFCCVEGCSA-N 2 2 255.362 -0.081 20 0 CBADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)NCC(=O)N2CCCC2)C1 ZINC000430571150 354250411 /nfs/dbraw/zinc/25/04/11/354250411.db2.gz LJJXAOIYXJBRQG-QWHCGFSZSA-N 2 2 296.415 -0.216 20 0 CBADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)NCC(=O)N2CCCC2)C1 ZINC000430571150 354250413 /nfs/dbraw/zinc/25/04/13/354250413.db2.gz LJJXAOIYXJBRQG-QWHCGFSZSA-N 2 2 296.415 -0.216 20 0 CBADLP C[C@H]([C@H](C)NC(=O)C[C@H]1C[NH2+]CCO1)[NH+]1CCOCC1 ZINC000430718107 354250657 /nfs/dbraw/zinc/25/06/57/354250657.db2.gz BJVMHAPDGGQOLX-XQQFMLRXSA-N 2 2 285.388 -0.410 20 0 CBADLP C[NH2+]C[C@@H]1CC[N@@H+]([C@H](C)C(=O)N2CCC[C@@H](C(N)=O)C2)C1 ZINC000430917404 354250809 /nfs/dbraw/zinc/25/08/09/354250809.db2.gz DABBVEHOZALTCO-FRRDWIJNSA-N 2 2 296.415 -0.360 20 0 CBADLP C[NH2+]C[C@@H]1CC[N@H+]([C@H](C)C(=O)N2CCC[C@@H](C(N)=O)C2)C1 ZINC000430917404 354250810 /nfs/dbraw/zinc/25/08/10/354250810.db2.gz DABBVEHOZALTCO-FRRDWIJNSA-N 2 2 296.415 -0.360 20 0 CBADLP C[C@@H](C(=O)N1CC[NH2+][C@@H](C)[C@@H]1C)[NH+]1CCOCC1 ZINC000434704260 354254551 /nfs/dbraw/zinc/25/45/51/354254551.db2.gz XKNBCTIYFMWHPR-SRVKXCTJSA-N 2 2 255.362 -0.084 20 0 CBADLP C[NH2+]CCC[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000435885334 354254752 /nfs/dbraw/zinc/25/47/52/354254752.db2.gz IRLNKXGSXVZJSD-LBPRGKRZSA-N 3 2 254.378 -0.508 20 0 CBADLP C[NH2+]CCC[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000435885334 354254758 /nfs/dbraw/zinc/25/47/58/354254758.db2.gz IRLNKXGSXVZJSD-LBPRGKRZSA-N 3 2 254.378 -0.508 20 0 CBADLP C[C@H]([NH3+])C[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000442662576 354258395 /nfs/dbraw/zinc/25/83/95/354258395.db2.gz HLMWUKPYUXJQQB-RYUDHWBXSA-N 2 2 255.362 -0.096 20 0 CBADLP C[C@H]([NH3+])C[N@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000442662576 354258396 /nfs/dbraw/zinc/25/83/96/354258396.db2.gz HLMWUKPYUXJQQB-RYUDHWBXSA-N 2 2 255.362 -0.096 20 0 CBADLP O=C([C@@H]1C[C@]12CC[NH2+]C2)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000444169064 354262281 /nfs/dbraw/zinc/26/22/81/354262281.db2.gz JLHKALURWKJXDU-YDHLFZDLSA-N 2 2 279.384 -0.081 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)c1c[nH+]ccc1N ZINC000444172879 354263271 /nfs/dbraw/zinc/26/32/71/354263271.db2.gz BJTJWDDXPRNRBU-JTQLQIEISA-N 2 2 264.329 -0.055 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)c1c[nH+]ccc1N ZINC000444172879 354263273 /nfs/dbraw/zinc/26/32/73/354263273.db2.gz BJTJWDDXPRNRBU-JTQLQIEISA-N 2 2 264.329 -0.055 20 0 CBADLP O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424464030 354224813 /nfs/dbraw/zinc/22/48/13/354224813.db2.gz HKSRDHRQBVLNBD-GUBZILKMSA-N 2 2 292.330 -0.889 20 0 CBADLP CN(C(=O)NC[C@H]1CC[NH2+]CC1(F)F)[C@H]1C[NH2+]C[C@@H]1O ZINC000424462570 354224904 /nfs/dbraw/zinc/22/49/04/354224904.db2.gz FJKLAYRGMNNGPS-UTLUCORTSA-N 2 2 292.330 -0.795 20 0 CBADLP C[C@@H]1C[C@H](O)C[NH+]1C[C@@H](O)C[N@H+]1C[C@H](O)C[C@@H]1C ZINC000447260363 354295525 /nfs/dbraw/zinc/29/55/25/354295525.db2.gz YVDJOVIDQNIPTD-NJZULAAPSA-N 2 2 258.362 -0.743 20 0 CBADLP C[C@@H]1C[C@H](O)C[NH+]1C[C@@H](O)C[N@@H+]1C[C@H](O)C[C@@H]1C ZINC000447260363 354295528 /nfs/dbraw/zinc/29/55/28/354295528.db2.gz YVDJOVIDQNIPTD-NJZULAAPSA-N 2 2 258.362 -0.743 20 0 CBADLP C[C@@H]1C[C@H](O)C[N@H+]1C[C@@H](O)C[NH+]1C[C@H](O)C[C@@H]1C ZINC000447260363 354295531 /nfs/dbraw/zinc/29/55/31/354295531.db2.gz YVDJOVIDQNIPTD-NJZULAAPSA-N 2 2 258.362 -0.743 20 0 CBADLP C[C@@H]1C[C@H](O)C[N@@H+]1C[C@@H](O)C[NH+]1C[C@H](O)C[C@@H]1C ZINC000447260363 354295535 /nfs/dbraw/zinc/29/55/35/354295535.db2.gz YVDJOVIDQNIPTD-NJZULAAPSA-N 2 2 258.362 -0.743 20 0 CBADLP C[C@@H]1CC[NH+](C[C@@H](O)C[N@H+]2CC[C@H](C)[C@H](O)C2)C[C@@H]1O ZINC000447311984 354296288 /nfs/dbraw/zinc/29/62/88/354296288.db2.gz JYXROXAXCIPQEG-SBAKFKMJSA-N 2 2 286.416 -0.247 20 0 CBADLP C[C@@H]1CC[NH+](C[C@@H](O)C[N@@H+]2CC[C@H](C)[C@H](O)C2)C[C@@H]1O ZINC000447311984 354296290 /nfs/dbraw/zinc/29/62/90/354296290.db2.gz JYXROXAXCIPQEG-SBAKFKMJSA-N 2 2 286.416 -0.247 20 0 CBADLP C[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+]2CC[C@H](C)[C@H](O)C2)C[C@@H]1O ZINC000447311984 354296292 /nfs/dbraw/zinc/29/62/92/354296292.db2.gz JYXROXAXCIPQEG-SBAKFKMJSA-N 2 2 286.416 -0.247 20 0 CBADLP C[C@@H]1CC[N@H+](C[C@@H](O)C[NH+]2CC[C@H](C)[C@H](O)C2)C[C@@H]1O ZINC000447311984 354296293 /nfs/dbraw/zinc/29/62/93/354296293.db2.gz JYXROXAXCIPQEG-SBAKFKMJSA-N 2 2 286.416 -0.247 20 0 CBADLP C[C@@H]1c2nncn2CC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000328695570 202018851 /nfs/dbraw/zinc/01/88/51/202018851.db2.gz TVRKVJIVCOVYOY-GFCCVEGCSA-N 2 2 292.387 -0.181 20 0 CBADLP C[C@@H]1c2nncn2CC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000328695570 202018853 /nfs/dbraw/zinc/01/88/53/202018853.db2.gz TVRKVJIVCOVYOY-GFCCVEGCSA-N 2 2 292.387 -0.181 20 0 CBADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000449576038 354320697 /nfs/dbraw/zinc/32/06/97/354320697.db2.gz PLUCGICNANKKGM-SCVCMEIPSA-N 2 2 259.325 -0.477 20 0 CBADLP CN1CC[NH2+]C[C@@H]1CNC(=O)c1ccc2[nH+]ccn2c1 ZINC000449698962 354321547 /nfs/dbraw/zinc/32/15/47/354321547.db2.gz PDFHLUWWMKJMLW-GFCCVEGCSA-N 2 2 273.340 -0.032 20 0 CBADLP CCC[C@H](O)C[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000450251619 354323848 /nfs/dbraw/zinc/32/38/48/354323848.db2.gz CCSPUIOMRKUERQ-LBPRGKRZSA-N 2 2 257.378 -0.147 20 0 CBADLP CC(C)[N@H+](CC(=O)N1CC[NH+](C)CC1)C1COC1 ZINC000451120877 354333671 /nfs/dbraw/zinc/33/36/71/354333671.db2.gz OFLUNSJNCNJEGV-UHFFFAOYSA-N 2 2 255.362 -0.130 20 0 CBADLP CC(C)[N@@H+](CC(=O)N1CC[NH+](C)CC1)C1COC1 ZINC000451120877 354333673 /nfs/dbraw/zinc/33/36/73/354333673.db2.gz OFLUNSJNCNJEGV-UHFFFAOYSA-N 2 2 255.362 -0.130 20 0 CBADLP C[C@@H]1C[NH+](CCCCC[N@@H+]2CC(=O)N[C@@H](C)C2)CC(=O)N1 ZINC000451637900 354339286 /nfs/dbraw/zinc/33/92/86/354339286.db2.gz CLCXEANYSOQAPA-BETUJISGSA-N 2 2 296.415 -0.203 20 0 CBADLP C[C@@H]1C[NH+](CCCCC[N@H+]2CC(=O)N[C@@H](C)C2)CC(=O)N1 ZINC000451637900 354339287 /nfs/dbraw/zinc/33/92/87/354339287.db2.gz CLCXEANYSOQAPA-BETUJISGSA-N 2 2 296.415 -0.203 20 0 CBADLP C[C@@H]1C[N@@H+](CCCCC[NH+]2CC(=O)N[C@@H](C)C2)CC(=O)N1 ZINC000451637900 354339288 /nfs/dbraw/zinc/33/92/88/354339288.db2.gz CLCXEANYSOQAPA-BETUJISGSA-N 2 2 296.415 -0.203 20 0 CBADLP C[C@@H]1C[N@H+](CCCCC[NH+]2CC(=O)N[C@@H](C)C2)CC(=O)N1 ZINC000451637900 354339290 /nfs/dbraw/zinc/33/92/90/354339290.db2.gz CLCXEANYSOQAPA-BETUJISGSA-N 2 2 296.415 -0.203 20 0 CBADLP C[C@@H](CNC(=O)N1C[C@H]2OCC[N@H+](C)[C@@H]2C1)[NH+](C)C ZINC000455432927 354359686 /nfs/dbraw/zinc/35/96/86/354359686.db2.gz OEHBYPRVQPVXLD-QJPTWQEYSA-N 2 2 270.377 -0.339 20 0 CBADLP C[C@@H](CNC(=O)N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1)[NH+](C)C ZINC000455432927 354359689 /nfs/dbraw/zinc/35/96/89/354359689.db2.gz OEHBYPRVQPVXLD-QJPTWQEYSA-N 2 2 270.377 -0.339 20 0 CBADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](CCO)C[C@H]2C)C1 ZINC000457091186 354368330 /nfs/dbraw/zinc/36/83/30/354368330.db2.gz FHSAZYOJJPVMLG-KGLIPLIRSA-N 2 2 299.415 -0.379 20 0 CBADLP CC(C)[N@H+]1CCO[C@H](C(=O)N2CC[NH+](CCO)C[C@H]2C)C1 ZINC000457091186 354368340 /nfs/dbraw/zinc/36/83/40/354368340.db2.gz FHSAZYOJJPVMLG-KGLIPLIRSA-N 2 2 299.415 -0.379 20 0 CBADLP CC(C)[NH+]1CCO[C@H](C(=O)N2CC[N@H+](CCO)C[C@H]2C)C1 ZINC000457091186 354368341 /nfs/dbraw/zinc/36/83/41/354368341.db2.gz FHSAZYOJJPVMLG-KGLIPLIRSA-N 2 2 299.415 -0.379 20 0 CBADLP CC(C)[NH+]1CCO[C@H](C(=O)N2CC[N@@H+](CCO)C[C@H]2C)C1 ZINC000457091186 354368343 /nfs/dbraw/zinc/36/83/43/354368343.db2.gz FHSAZYOJJPVMLG-KGLIPLIRSA-N 2 2 299.415 -0.379 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](CCO)C[C@@H]2C)C1 ZINC000457119727 354368392 /nfs/dbraw/zinc/36/83/92/354368392.db2.gz KXPDHBJQHOQAMV-QWHCGFSZSA-N 2 2 285.388 -0.768 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](CCO)C[C@@H]2C)C1 ZINC000457119727 354368396 /nfs/dbraw/zinc/36/83/96/354368396.db2.gz KXPDHBJQHOQAMV-QWHCGFSZSA-N 2 2 285.388 -0.768 20 0 CBADLP CC[NH+]1CCO[C@@H](C(=O)N2CC[N@H+](CCO)C[C@@H]2C)C1 ZINC000457119727 354368400 /nfs/dbraw/zinc/36/84/00/354368400.db2.gz KXPDHBJQHOQAMV-QWHCGFSZSA-N 2 2 285.388 -0.768 20 0 CBADLP CC[NH+]1CCO[C@@H](C(=O)N2CC[N@@H+](CCO)C[C@@H]2C)C1 ZINC000457119727 354368405 /nfs/dbraw/zinc/36/84/05/354368405.db2.gz KXPDHBJQHOQAMV-QWHCGFSZSA-N 2 2 285.388 -0.768 20 0 CBADLP C[C@@H]1C[N@H+](CCO)CCN1C(=O)[C@H]1CCC[NH+]1C ZINC000457141941 354370045 /nfs/dbraw/zinc/37/00/45/354370045.db2.gz YMQVPBZSZASQDY-VXGBXAGGSA-N 2 2 255.362 -0.394 20 0 CBADLP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)[C@H]1CCC[NH+]1C ZINC000457141941 354370048 /nfs/dbraw/zinc/37/00/48/354370048.db2.gz YMQVPBZSZASQDY-VXGBXAGGSA-N 2 2 255.362 -0.394 20 0 CBADLP C[C@@H]1C[NH+](CCO)CCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC000457141941 354370049 /nfs/dbraw/zinc/37/00/49/354370049.db2.gz YMQVPBZSZASQDY-VXGBXAGGSA-N 2 2 255.362 -0.394 20 0 CBADLP C[C@@H]1C[NH+](CCO)CCN1C(=O)[C@H]1CCC[N@H+]1C ZINC000457141941 354370051 /nfs/dbraw/zinc/37/00/51/354370051.db2.gz YMQVPBZSZASQDY-VXGBXAGGSA-N 2 2 255.362 -0.394 20 0 CBADLP C[N@@H+]1CCCC[C@H]1CN1CC[NH+]([C@H]2COC[C@H]2O)CC1 ZINC000463075879 354398260 /nfs/dbraw/zinc/39/82/60/354398260.db2.gz FTMMYGDQICBDKT-SOUVJXGZSA-N 2 2 283.416 -0.152 20 0 CBADLP C[N@H+]1CCCC[C@H]1CN1CC[NH+]([C@H]2COC[C@H]2O)CC1 ZINC000463075879 354398264 /nfs/dbraw/zinc/39/82/64/354398264.db2.gz FTMMYGDQICBDKT-SOUVJXGZSA-N 2 2 283.416 -0.152 20 0 CBADLP Cc1nc(N2CC[N@H+](CCO)[C@H](C)C2)nc(N(C)C)[nH+]1 ZINC000490075187 354439605 /nfs/dbraw/zinc/43/96/05/354439605.db2.gz WSMBPGRZEPERHL-SNVBAGLBSA-N 2 2 280.376 -0.251 20 0 CBADLP Cc1nc(N2CC[N@@H+](CCO)[C@H](C)C2)nc(N(C)C)[nH+]1 ZINC000490075187 354439608 /nfs/dbraw/zinc/43/96/08/354439608.db2.gz WSMBPGRZEPERHL-SNVBAGLBSA-N 2 2 280.376 -0.251 20 0 CBADLP [NH3+]CC(F)(F)CNC(=O)[C@@H]([NH3+])c1cscn1 ZINC000573963218 334981134 /nfs/dbraw/zinc/98/11/34/334981134.db2.gz AKFCUYJEAWCLEM-LURJTMIESA-N 2 2 250.274 -0.147 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)/C=C/C[NH+](C)C ZINC000491873912 354460937 /nfs/dbraw/zinc/46/09/37/354460937.db2.gz VLXUOWFLZBCBKB-SNAWJCMRSA-N 2 2 255.362 -0.105 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)/C=C\C[NH+](C)C)CCO1 ZINC000491869346 354461682 /nfs/dbraw/zinc/46/16/82/354461682.db2.gz NHZANNYWTPIJPS-QMAVJUDZSA-N 2 2 255.362 -0.059 20 0 CBADLP COC(=O)N1CC[NH+](CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000496060511 354531347 /nfs/dbraw/zinc/53/13/47/354531347.db2.gz JCBAXSDVIVQFKQ-UHFFFAOYSA-N 2 2 298.387 -0.466 20 0 CBADLP O=C(C=Cc1c[nH]c[nH+]1)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000493174074 354490235 /nfs/dbraw/zinc/49/02/35/354490235.db2.gz WRLVKIXWYOLHSS-YUKKFKLSSA-N 2 2 276.340 -0.004 20 0 CBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)/C=C\c1[nH]cc[nH+]1 ZINC000493255458 354492244 /nfs/dbraw/zinc/49/22/44/354492244.db2.gz DRQBRMFGRLZXRL-ZZKXABKFSA-N 2 2 294.355 -0.426 20 0 CBADLP C[C@@](O)(CNC(=O)/C=C\c1[nH]cc[nH+]1)C[NH+]1CCOCC1 ZINC000493290322 354493609 /nfs/dbraw/zinc/49/36/09/354493609.db2.gz PPXFXAUGCZUJOG-PYLYLYNFSA-N 2 2 294.355 -0.378 20 0 CBADLP C[C@H](C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)[NH+]1CCOCC1 ZINC000494899090 354496496 /nfs/dbraw/zinc/49/64/96/354496496.db2.gz XYTUQKIEVFLOMP-FRRDWIJNSA-N 2 2 267.373 -0.083 20 0 CBADLP CC1(C)NC(=O)CC[C@H]1[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000495085397 354498113 /nfs/dbraw/zinc/49/81/13/354498113.db2.gz OGYYKISPFAQAMW-NWDGAFQWSA-N 2 2 296.415 -0.027 20 0 CBADLP CC1(C)NC(=O)CC[C@H]1[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000495085397 354498114 /nfs/dbraw/zinc/49/81/14/354498114.db2.gz OGYYKISPFAQAMW-NWDGAFQWSA-N 2 2 296.415 -0.027 20 0 CBADLP C[C@@H](CC[NH+](C)C)NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000515520879 354555957 /nfs/dbraw/zinc/55/59/57/354555957.db2.gz BEUBQULZEVTXJI-NWDGAFQWSA-N 3 2 271.409 -0.389 20 0 CBADLP C[C@@H](CC[NH+](C)C)NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000515520879 354555961 /nfs/dbraw/zinc/55/59/61/354555961.db2.gz BEUBQULZEVTXJI-NWDGAFQWSA-N 3 2 271.409 -0.389 20 0 CBADLP O=C(NC[C@@H]1COCC[NH2+]1)N1CCn2c[nH+]cc2C1 ZINC000529388910 354584514 /nfs/dbraw/zinc/58/45/14/354584514.db2.gz UTQIXMGZVGAYDA-SNVBAGLBSA-N 2 2 265.317 -0.603 20 0 CBADLP COC(=O)CCNC(=O)C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000152487450 291036952 /nfs/dbraw/zinc/03/69/52/291036952.db2.gz LJUNOGQAQGLSIB-LBPRGKRZSA-N 2 2 285.388 -0.061 20 0 CBADLP COC(=O)CCNC(=O)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000152487450 291036956 /nfs/dbraw/zinc/03/69/56/291036956.db2.gz LJUNOGQAQGLSIB-LBPRGKRZSA-N 2 2 285.388 -0.061 20 0 CBADLP COC(=O)CCNC(=O)C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000152487450 291036958 /nfs/dbraw/zinc/03/69/58/291036958.db2.gz LJUNOGQAQGLSIB-LBPRGKRZSA-N 2 2 285.388 -0.061 20 0 CBADLP COC(=O)CCNC(=O)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000152487450 291036959 /nfs/dbraw/zinc/03/69/59/291036959.db2.gz LJUNOGQAQGLSIB-LBPRGKRZSA-N 2 2 285.388 -0.061 20 0 CBADLP Cn1c[nH+]cc1CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000543447587 354635865 /nfs/dbraw/zinc/63/58/65/354635865.db2.gz RNOCLAHDHXLCNH-NSHDSACASA-N 2 2 252.318 -0.591 20 0 CBADLP Cn1c[nH+]cc1CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000543447587 354635871 /nfs/dbraw/zinc/63/58/71/354635871.db2.gz RNOCLAHDHXLCNH-NSHDSACASA-N 2 2 252.318 -0.591 20 0 CBADLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2cnc3cnccn23)C1 ZINC000545860777 354647646 /nfs/dbraw/zinc/64/76/46/354647646.db2.gz YJGKIAUNHRFNKQ-CYBMUJFWSA-N 2 2 261.329 -0.115 20 0 CBADLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2cnc3cnccn23)C1 ZINC000545860777 354647648 /nfs/dbraw/zinc/64/76/48/354647648.db2.gz YJGKIAUNHRFNKQ-CYBMUJFWSA-N 2 2 261.329 -0.115 20 0 CBADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCOC2(C)C)[C@H](C[NH3+])C1 ZINC000557232054 354686061 /nfs/dbraw/zinc/68/60/61/354686061.db2.gz SOBOTGMPVJKGIK-GHMZBOCLSA-N 2 2 270.377 -0.162 20 0 CBADLP C[N@H+]1CCN(C(=O)N[C@@H]2CCOC2(C)C)[C@H](C[NH3+])C1 ZINC000557232054 354686063 /nfs/dbraw/zinc/68/60/63/354686063.db2.gz SOBOTGMPVJKGIK-GHMZBOCLSA-N 2 2 270.377 -0.162 20 0 CBADLP C[N@@H+]1CCN(C(=O)N[C@H]2CCOC2(C)C)[C@H](C[NH3+])C1 ZINC000557232055 354686186 /nfs/dbraw/zinc/68/61/86/354686186.db2.gz SOBOTGMPVJKGIK-MNOVXSKESA-N 2 2 270.377 -0.162 20 0 CBADLP C[N@H+]1CCN(C(=O)N[C@H]2CCOC2(C)C)[C@H](C[NH3+])C1 ZINC000557232055 354686187 /nfs/dbraw/zinc/68/61/87/354686187.db2.gz SOBOTGMPVJKGIK-MNOVXSKESA-N 2 2 270.377 -0.162 20 0 CBADLP COC[C@@]1(CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])CCC[NH2+]1 ZINC000562815804 354688441 /nfs/dbraw/zinc/68/84/41/354688441.db2.gz BFHSNTYVUDCHCD-OCCSQVGLSA-N 3 2 299.419 -0.961 20 0 CBADLP COC[C@@]1(CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])CCC[NH2+]1 ZINC000562815804 354688442 /nfs/dbraw/zinc/68/84/42/354688442.db2.gz BFHSNTYVUDCHCD-OCCSQVGLSA-N 3 2 299.419 -0.961 20 0 CBADLP COC(=O)C[C@H]([NH3+])C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000563047256 354693838 /nfs/dbraw/zinc/69/38/38/354693838.db2.gz RVOOIZHOFVWOFU-JTQLQIEISA-N 2 2 287.360 -0.896 20 0 CBADLP COC(=O)C[C@H]([NH3+])C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000563047256 354693839 /nfs/dbraw/zinc/69/38/39/354693839.db2.gz RVOOIZHOFVWOFU-JTQLQIEISA-N 2 2 287.360 -0.896 20 0 CBADLP Cc1cc(C[NH3+])cc(NC(=O)CN2CC[NH2+]CC2=O)c1 ZINC000563113250 354697621 /nfs/dbraw/zinc/69/76/21/354697621.db2.gz OFXFCEDMZUMHNJ-UHFFFAOYSA-N 2 2 276.340 -0.176 20 0 CBADLP COC(=O)CCNC(=O)C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000563150460 354700108 /nfs/dbraw/zinc/70/01/08/354700108.db2.gz UEMKZZXUBVTIEN-LBPRGKRZSA-N 2 2 257.334 -0.664 20 0 CBADLP COC(=O)CCNC(=O)C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000563150460 354700110 /nfs/dbraw/zinc/70/01/10/354700110.db2.gz UEMKZZXUBVTIEN-LBPRGKRZSA-N 2 2 257.334 -0.664 20 0 CBADLP C[C@@H](NC(=O)[C@H]1C[C@@H]([NH3+])C1)[C@@H](C)[NH+]1CCOCC1 ZINC000563203300 354702706 /nfs/dbraw/zinc/70/27/06/354702706.db2.gz TUILYMIJDZVVAY-KKOKHZNYSA-N 2 2 255.362 -0.051 20 0 CBADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]C[C@H](O)CO)c2cc1C ZINC000564101457 354711017 /nfs/dbraw/zinc/71/10/17/354711017.db2.gz ICSAHPBOKFPRMV-OLZOCXBDSA-N 2 2 293.367 -0.043 20 0 CBADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000564643500 354714366 /nfs/dbraw/zinc/71/43/66/354714366.db2.gz FSCMXDJLMNUBPI-GFCCVEGCSA-N 2 2 294.355 -0.021 20 0 CBADLP C[C@@H](C(=O)N(C)[C@@H]1CC[NH2+]C1)[NH+]1CCN(C)CC1 ZINC000564656964 354715089 /nfs/dbraw/zinc/71/50/89/354715089.db2.gz OYIVHMKFMYTSNF-NWDGAFQWSA-N 2 2 254.378 -0.557 20 0 CBADLP COC(=O)C[C@H]([NH3+])C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000564909652 354720421 /nfs/dbraw/zinc/72/04/21/354720421.db2.gz PNZGZTZRGBIOJU-JTQLQIEISA-N 2 2 280.328 -0.346 20 0 CBADLP COC(=O)CCNC(=O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000564986471 354723485 /nfs/dbraw/zinc/72/34/85/354723485.db2.gz PLNHBBOXKQIJSJ-WDEREUQCSA-N 2 2 269.345 -0.651 20 0 CBADLP COC(=O)CCNC(=O)C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000564986471 354723488 /nfs/dbraw/zinc/72/34/88/354723488.db2.gz PLNHBBOXKQIJSJ-WDEREUQCSA-N 2 2 269.345 -0.651 20 0 CBADLP CN(Cc1cnn(C)c1)C(=O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000565046168 354726379 /nfs/dbraw/zinc/72/63/79/354726379.db2.gz HKGKNLZUMURWML-ZIAGYGMSSA-N 2 2 291.399 -0.080 20 0 CBADLP CN(Cc1cnn(C)c1)C(=O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000565046168 354726380 /nfs/dbraw/zinc/72/63/80/354726380.db2.gz HKGKNLZUMURWML-ZIAGYGMSSA-N 2 2 291.399 -0.080 20 0 CBADLP C[N@@H+]1CC[C@](O)(CNC(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000548000930 354673487 /nfs/dbraw/zinc/67/34/87/354673487.db2.gz MMJKUGLXUMTHGX-RISCZKNCSA-N 2 2 293.371 -0.436 20 0 CBADLP C[N@H+]1CC[C@](O)(CNC(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000548000930 354673488 /nfs/dbraw/zinc/67/34/88/354673488.db2.gz MMJKUGLXUMTHGX-RISCZKNCSA-N 2 2 293.371 -0.436 20 0 CBADLP Cc1cnn(CC[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c1 ZINC000565240220 354734358 /nfs/dbraw/zinc/73/43/58/354734358.db2.gz TWIRGXJHCXPUDZ-NEPJUHHUSA-N 2 2 263.345 -0.565 20 0 CBADLP Cc1cnn(CC[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c1 ZINC000565240220 354734360 /nfs/dbraw/zinc/73/43/60/354734360.db2.gz TWIRGXJHCXPUDZ-NEPJUHHUSA-N 2 2 263.345 -0.565 20 0 CBADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+][C@@H]2CC[C@H](C(N)=O)C2)C[C@H](C)O1 ZINC000565829003 354746783 /nfs/dbraw/zinc/74/67/83/354746783.db2.gz PWWBAAMALNWWEA-MEBFFEOJSA-N 2 2 299.415 -0.300 20 0 CBADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+][C@@H]2CC[C@H](C(N)=O)C2)C[C@H](C)O1 ZINC000565829003 354746787 /nfs/dbraw/zinc/74/67/87/354746787.db2.gz PWWBAAMALNWWEA-MEBFFEOJSA-N 2 2 299.415 -0.300 20 0 CBADLP CCC[C@H](C(=O)OCC)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000565844357 354747811 /nfs/dbraw/zinc/74/78/11/354747811.db2.gz ZSMHMKIAAHKLOS-SDDRHHMPSA-N 2 2 283.372 -0.038 20 0 CBADLP CCC[C@H](C(=O)OCC)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000565844357 354747814 /nfs/dbraw/zinc/74/78/14/354747814.db2.gz ZSMHMKIAAHKLOS-SDDRHHMPSA-N 2 2 283.372 -0.038 20 0 CBADLP C[N@H+]1CCN(C(=O)[C@@H]2CC(=O)N(C3CC3)C2)[C@@H](C[NH3+])C1 ZINC000565948718 354748657 /nfs/dbraw/zinc/74/86/57/354748657.db2.gz HHVUAAZQAATVMB-PWSUYJOCSA-N 2 2 280.372 -0.901 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000566068088 354751806 /nfs/dbraw/zinc/75/18/06/354751806.db2.gz RAVQENQEHOWIES-NEPJUHHUSA-N 2 2 284.404 -0.314 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000566068088 354751812 /nfs/dbraw/zinc/75/18/12/354751812.db2.gz RAVQENQEHOWIES-NEPJUHHUSA-N 2 2 284.404 -0.314 20 0 CBADLP C[NH2+][C@H]1CCC[N@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000566619912 354771664 /nfs/dbraw/zinc/77/16/64/354771664.db2.gz IQEIFDBWFUOAIJ-OLZOCXBDSA-N 3 2 268.405 -0.133 20 0 CBADLP C[NH2+][C@H]1CCC[N@@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000566619912 354771667 /nfs/dbraw/zinc/77/16/67/354771667.db2.gz IQEIFDBWFUOAIJ-OLZOCXBDSA-N 3 2 268.405 -0.133 20 0 CBADLP C[NH2+][C@H]1CCC[N@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000566619914 354771875 /nfs/dbraw/zinc/77/18/75/354771875.db2.gz IQEIFDBWFUOAIJ-STQMWFEESA-N 3 2 268.405 -0.133 20 0 CBADLP C[NH2+][C@H]1CCC[N@@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000566619914 354771877 /nfs/dbraw/zinc/77/18/77/354771877.db2.gz IQEIFDBWFUOAIJ-STQMWFEESA-N 3 2 268.405 -0.133 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NC(C)(C)C[NH3+] ZINC000566620684 354771897 /nfs/dbraw/zinc/77/18/97/354771897.db2.gz QCGSNMFZDZLWEL-UHFFFAOYSA-N 2 2 258.366 -0.704 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NC(C)(C)C[NH3+] ZINC000566620684 354771899 /nfs/dbraw/zinc/77/18/99/354771899.db2.gz QCGSNMFZDZLWEL-UHFFFAOYSA-N 2 2 258.366 -0.704 20 0 CBADLP C[C@H](C(=O)NCC[NH+]1CCC(O)CC1)[NH+]1CC(C)C1 ZINC000566630125 354772457 /nfs/dbraw/zinc/77/24/57/354772457.db2.gz HIQAZRQNPKEXEU-GFCCVEGCSA-N 2 2 269.389 -0.101 20 0 CBADLP C[N@@H+]1CCN(C(=O)N[C@@H](C[NH3+])C2CCCC2)[C@H](C[NH3+])C1 ZINC000567031379 354779337 /nfs/dbraw/zinc/77/93/37/354779337.db2.gz KDJSPWLUTZKZMY-OLZOCXBDSA-N 3 2 283.420 -0.212 20 0 CBADLP C[N@H+]1CCN(C(=O)N[C@@H](C[NH3+])C2CCCC2)[C@H](C[NH3+])C1 ZINC000567031379 354779342 /nfs/dbraw/zinc/77/93/42/354779342.db2.gz KDJSPWLUTZKZMY-OLZOCXBDSA-N 3 2 283.420 -0.212 20 0 CBADLP CO[C@H](C[NH3+])CC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000567169353 354782249 /nfs/dbraw/zinc/78/22/49/354782249.db2.gz MZYONVYNNKHMNV-QWRGUYRKSA-N 2 2 259.350 -0.813 20 0 CBADLP CO[C@H](C[NH3+])CC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000567169353 354782253 /nfs/dbraw/zinc/78/22/53/354782253.db2.gz MZYONVYNNKHMNV-QWRGUYRKSA-N 2 2 259.350 -0.813 20 0 CBADLP CO[C@@H](C[NH3+])CC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000567169351 354782558 /nfs/dbraw/zinc/78/25/58/354782558.db2.gz MZYONVYNNKHMNV-GHMZBOCLSA-N 2 2 259.350 -0.813 20 0 CBADLP CO[C@@H](C[NH3+])CC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000567169351 354782559 /nfs/dbraw/zinc/78/25/59/354782559.db2.gz MZYONVYNNKHMNV-GHMZBOCLSA-N 2 2 259.350 -0.813 20 0 CBADLP C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C)[NH+]1CCN(C)CC1 ZINC000567353303 354785871 /nfs/dbraw/zinc/78/58/71/354785871.db2.gz LMSBPFJQGPIAFF-CHWSQXEVSA-N 2 2 268.405 -0.167 20 0 CBADLP C[C@@H](CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])[NH+](C)C ZINC000567478681 354788571 /nfs/dbraw/zinc/78/85/71/354788571.db2.gz NFQRFZOYNDQLEY-WDEREUQCSA-N 3 2 257.382 -0.779 20 0 CBADLP C[C@@H](CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])[NH+](C)C ZINC000567478681 354788575 /nfs/dbraw/zinc/78/85/75/354788575.db2.gz NFQRFZOYNDQLEY-WDEREUQCSA-N 3 2 257.382 -0.779 20 0 CBADLP CCN1C[C@H]([NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC1=O ZINC000567640480 354792759 /nfs/dbraw/zinc/79/27/59/354792759.db2.gz MHFSNCRCOIQSLF-DYEKYZERSA-N 2 2 267.373 -0.036 20 0 CBADLP C[NH+](C)CCN1C(=O)C[C@H]([NH2+]Cc2ccncn2)C1=O ZINC000565370183 354736850 /nfs/dbraw/zinc/73/68/50/354736850.db2.gz JXUWOQZHTZJNLA-NSHDSACASA-N 2 2 277.328 -0.745 20 0 CBADLP C[N@@H+]1CCN(C(=O)NCCC2(O)CCC2)[C@H](C[NH3+])C1 ZINC000565470769 354738867 /nfs/dbraw/zinc/73/88/67/354738867.db2.gz KZVKOAVFFFYMJS-LLVKDONJSA-N 2 2 270.377 -0.424 20 0 CBADLP C[N@H+]1CCN(C(=O)NCCC2(O)CCC2)[C@H](C[NH3+])C1 ZINC000565470769 354738870 /nfs/dbraw/zinc/73/88/70/354738870.db2.gz KZVKOAVFFFYMJS-LLVKDONJSA-N 2 2 270.377 -0.424 20 0 CBADLP C[N@@H+]1CCO[C@@H]2CCN(C(=O)[C@@H]3CC[C@H](C[NH3+])O3)C[C@@H]21 ZINC000567823221 354798877 /nfs/dbraw/zinc/79/88/77/354798877.db2.gz NUDDYUGHJYDEEW-XQHKEYJVSA-N 2 2 283.372 -0.576 20 0 CBADLP C[N@H+]1CCO[C@@H]2CCN(C(=O)[C@@H]3CC[C@H](C[NH3+])O3)C[C@@H]21 ZINC000567823221 354798880 /nfs/dbraw/zinc/79/88/80/354798880.db2.gz NUDDYUGHJYDEEW-XQHKEYJVSA-N 2 2 283.372 -0.576 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N(C)C1CC[NH2+]CC1 ZINC000567833335 354799966 /nfs/dbraw/zinc/79/99/66/354799966.db2.gz FCVUMLJSYBKPRD-UHFFFAOYSA-N 2 2 284.404 -0.347 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N(C)C1CC[NH2+]CC1 ZINC000567833335 354799968 /nfs/dbraw/zinc/79/99/68/354799968.db2.gz FCVUMLJSYBKPRD-UHFFFAOYSA-N 2 2 284.404 -0.347 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]([NH3+])CC(F)F)CCO1 ZINC000567966310 354805898 /nfs/dbraw/zinc/80/58/98/354805898.db2.gz DYAHWIGTPZCEPQ-RKDXNWHRSA-N 2 2 265.304 -0.194 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]([NH3+])CC(F)F)CCO1 ZINC000567966310 354805901 /nfs/dbraw/zinc/80/59/01/354805901.db2.gz DYAHWIGTPZCEPQ-RKDXNWHRSA-N 2 2 265.304 -0.194 20 0 CBADLP Cc1nc2n(n1)CC[N@H+](CCN1CC[NH2+]CC1)C2 ZINC000567990193 354806681 /nfs/dbraw/zinc/80/66/81/354806681.db2.gz FRXZCTICAWZZRY-UHFFFAOYSA-N 2 2 250.350 -0.693 20 0 CBADLP Cc1nc2n(n1)CC[N@@H+](CCN1CC[NH2+]CC1)C2 ZINC000567990193 354806685 /nfs/dbraw/zinc/80/66/85/354806685.db2.gz FRXZCTICAWZZRY-UHFFFAOYSA-N 2 2 250.350 -0.693 20 0 CBADLP Cn1ccc(N2CCC[C@@H]([N@H+](C)C[C@H](O)C[NH3+])C2=O)n1 ZINC000567990348 354807329 /nfs/dbraw/zinc/80/73/29/354807329.db2.gz VTQTZNCSPNXBMT-GHMZBOCLSA-N 2 2 281.360 -0.833 20 0 CBADLP Cn1ccc(N2CCC[C@@H]([N@@H+](C)C[C@H](O)C[NH3+])C2=O)n1 ZINC000567990348 354807331 /nfs/dbraw/zinc/80/73/31/354807331.db2.gz VTQTZNCSPNXBMT-GHMZBOCLSA-N 2 2 281.360 -0.833 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000568166225 354812354 /nfs/dbraw/zinc/81/23/54/354812354.db2.gz GJYDZJPHTUGIGJ-FQUUOJAGSA-N 2 2 299.415 -0.489 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000568166225 354812355 /nfs/dbraw/zinc/81/23/55/354812355.db2.gz GJYDZJPHTUGIGJ-FQUUOJAGSA-N 2 2 299.415 -0.489 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000568166225 354812357 /nfs/dbraw/zinc/81/23/57/354812357.db2.gz GJYDZJPHTUGIGJ-FQUUOJAGSA-N 2 2 299.415 -0.489 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000568166225 354812359 /nfs/dbraw/zinc/81/23/59/354812359.db2.gz GJYDZJPHTUGIGJ-FQUUOJAGSA-N 2 2 299.415 -0.489 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1CS(N)(=O)=O ZINC000568163935 354812396 /nfs/dbraw/zinc/81/23/96/354812396.db2.gz FBINRHAHPHSNDQ-QWRGUYRKSA-N 2 2 279.406 -0.948 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1CS(N)(=O)=O ZINC000568163935 354812397 /nfs/dbraw/zinc/81/23/97/354812397.db2.gz FBINRHAHPHSNDQ-QWRGUYRKSA-N 2 2 279.406 -0.948 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000568163935 354812399 /nfs/dbraw/zinc/81/23/99/354812399.db2.gz FBINRHAHPHSNDQ-QWRGUYRKSA-N 2 2 279.406 -0.948 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000568163935 354812400 /nfs/dbraw/zinc/81/24/00/354812400.db2.gz FBINRHAHPHSNDQ-QWRGUYRKSA-N 2 2 279.406 -0.948 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1CS(=O)(=O)NC ZINC000568164963 354812471 /nfs/dbraw/zinc/81/24/71/354812471.db2.gz DVWBUIJTXQJTMJ-NWDGAFQWSA-N 2 2 293.433 -0.687 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1CS(=O)(=O)NC ZINC000568164963 354812472 /nfs/dbraw/zinc/81/24/72/354812472.db2.gz DVWBUIJTXQJTMJ-NWDGAFQWSA-N 2 2 293.433 -0.687 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000568164963 354812473 /nfs/dbraw/zinc/81/24/73/354812473.db2.gz DVWBUIJTXQJTMJ-NWDGAFQWSA-N 2 2 293.433 -0.687 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000568164963 354812474 /nfs/dbraw/zinc/81/24/74/354812474.db2.gz DVWBUIJTXQJTMJ-NWDGAFQWSA-N 2 2 293.433 -0.687 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1CS(=O)(=O)NC ZINC000568164962 354812504 /nfs/dbraw/zinc/81/25/04/354812504.db2.gz DVWBUIJTXQJTMJ-NEPJUHHUSA-N 2 2 293.433 -0.687 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1CS(=O)(=O)NC ZINC000568164962 354812505 /nfs/dbraw/zinc/81/25/05/354812505.db2.gz DVWBUIJTXQJTMJ-NEPJUHHUSA-N 2 2 293.433 -0.687 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]1CS(=O)(=O)NC ZINC000568164962 354812506 /nfs/dbraw/zinc/81/25/06/354812506.db2.gz DVWBUIJTXQJTMJ-NEPJUHHUSA-N 2 2 293.433 -0.687 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]1CS(=O)(=O)NC ZINC000568164962 354812507 /nfs/dbraw/zinc/81/25/07/354812507.db2.gz DVWBUIJTXQJTMJ-NEPJUHHUSA-N 2 2 293.433 -0.687 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@](O)(C(F)F)C1 ZINC000568175893 354813665 /nfs/dbraw/zinc/81/36/65/354813665.db2.gz KSKYAFJVOIFFQX-ZYHUDNBSSA-N 2 2 282.331 -0.373 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@](O)(C(F)F)C1 ZINC000568175893 354813666 /nfs/dbraw/zinc/81/36/66/354813666.db2.gz KSKYAFJVOIFFQX-ZYHUDNBSSA-N 2 2 282.331 -0.373 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000568175893 354813667 /nfs/dbraw/zinc/81/36/67/354813667.db2.gz KSKYAFJVOIFFQX-ZYHUDNBSSA-N 2 2 282.331 -0.373 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@](O)(C(F)F)C1 ZINC000568175893 354813668 /nfs/dbraw/zinc/81/36/68/354813668.db2.gz KSKYAFJVOIFFQX-ZYHUDNBSSA-N 2 2 282.331 -0.373 20 0 CBADLP CC[C@H](C)NC(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000568267738 354819003 /nfs/dbraw/zinc/81/90/03/354819003.db2.gz MBIHYAPLEKBXTK-GARJFASQSA-N 2 2 268.361 -0.855 20 0 CBADLP CC[C@H](C)NC(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000568267738 354819007 /nfs/dbraw/zinc/81/90/07/354819007.db2.gz MBIHYAPLEKBXTK-GARJFASQSA-N 2 2 268.361 -0.855 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1[C@@H]2CC[C@H]1CN(C)C(=O)C2 ZINC000568289644 354820228 /nfs/dbraw/zinc/82/02/28/354820228.db2.gz LWCRTMWXAIACLE-AGIUHOORSA-N 2 2 269.389 -0.006 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1[C@@H]2CC[C@H]1CN(C)C(=O)C2 ZINC000568289644 354820230 /nfs/dbraw/zinc/82/02/30/354820230.db2.gz LWCRTMWXAIACLE-AGIUHOORSA-N 2 2 269.389 -0.006 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1CN(C)C(=O)C2 ZINC000568289644 354820232 /nfs/dbraw/zinc/82/02/32/354820232.db2.gz LWCRTMWXAIACLE-AGIUHOORSA-N 2 2 269.389 -0.006 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1CN(C)C(=O)C2 ZINC000568289644 354820233 /nfs/dbraw/zinc/82/02/33/354820233.db2.gz LWCRTMWXAIACLE-AGIUHOORSA-N 2 2 269.389 -0.006 20 0 CBADLP CN(Cc1c[nH+]c[nH]1)C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000568278255 354820289 /nfs/dbraw/zinc/82/02/89/354820289.db2.gz PQDYDEAVJOHXRR-GFCCVEGCSA-N 2 2 293.371 -0.079 20 0 CBADLP CN(Cc1c[nH]c[nH+]1)C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000568278255 354820293 /nfs/dbraw/zinc/82/02/93/354820293.db2.gz PQDYDEAVJOHXRR-GFCCVEGCSA-N 2 2 293.371 -0.079 20 0 CBADLP CN(Cc1c[nH+]c[nH]1)C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000568278258 354820415 /nfs/dbraw/zinc/82/04/15/354820415.db2.gz PQDYDEAVJOHXRR-LBPRGKRZSA-N 2 2 293.371 -0.079 20 0 CBADLP CN(Cc1c[nH]c[nH+]1)C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000568278258 354820417 /nfs/dbraw/zinc/82/04/17/354820417.db2.gz PQDYDEAVJOHXRR-LBPRGKRZSA-N 2 2 293.371 -0.079 20 0 CBADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)C(C)(C)[NH3+])CC1 ZINC000568270835 354820653 /nfs/dbraw/zinc/82/06/53/354820653.db2.gz BUIGDAVWZZZUFN-UHFFFAOYSA-N 2 2 270.377 -0.606 20 0 CBADLP CCNC(=O)C[N@H+]1CCCN(C(=O)C(C)(C)[NH3+])CC1 ZINC000568270835 354820655 /nfs/dbraw/zinc/82/06/55/354820655.db2.gz BUIGDAVWZZZUFN-UHFFFAOYSA-N 2 2 270.377 -0.606 20 0 CBADLP C[C@@H](NC(=O)N[C@H]1CC[NH2+]C1)[C@H](C)[NH+]1CCOCC1 ZINC000568294379 354821131 /nfs/dbraw/zinc/82/11/31/354821131.db2.gz QGAKKAJPQSTOMJ-WOPDTQHZSA-N 2 2 270.377 -0.243 20 0 CBADLP CCOC(=O)C[N@@H+]1CCCN(C(=O)CC[NH2+]C)CC1 ZINC000568388262 354822849 /nfs/dbraw/zinc/82/28/49/354822849.db2.gz MUVKBSOMMQKNNM-UHFFFAOYSA-N 2 2 271.361 -0.307 20 0 CBADLP CCOC(=O)C[N@H+]1CCCN(C(=O)CC[NH2+]C)CC1 ZINC000568388262 354822850 /nfs/dbraw/zinc/82/28/50/354822850.db2.gz MUVKBSOMMQKNNM-UHFFFAOYSA-N 2 2 271.361 -0.307 20 0 CBADLP O=C(NC[C@H]1CCC[NH2+]1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000568490915 354825200 /nfs/dbraw/zinc/82/52/00/354825200.db2.gz JNBBZLCVTHZNMU-GFCCVEGCSA-N 2 2 292.387 -0.011 20 0 CBADLP CC[C@H]1C[N@H+](C)CCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC000568673276 354829471 /nfs/dbraw/zinc/82/94/71/354829471.db2.gz LXDQOCHZDMKPJX-NWDGAFQWSA-N 2 2 255.362 -0.130 20 0 CBADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC000568673276 354829473 /nfs/dbraw/zinc/82/94/73/354829473.db2.gz LXDQOCHZDMKPJX-NWDGAFQWSA-N 2 2 255.362 -0.130 20 0 CBADLP CC[C@H]1C[NH+](C)CCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000568673276 354829475 /nfs/dbraw/zinc/82/94/75/354829475.db2.gz LXDQOCHZDMKPJX-NWDGAFQWSA-N 2 2 255.362 -0.130 20 0 CBADLP CC[C@H]1C[NH+](C)CCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000568673276 354829477 /nfs/dbraw/zinc/82/94/77/354829477.db2.gz LXDQOCHZDMKPJX-NWDGAFQWSA-N 2 2 255.362 -0.130 20 0 CBADLP CC(C)[NH+]1CCN(CCC[N@@H+](CC[NH3+])CCO)CC1 ZINC000568765417 354832232 /nfs/dbraw/zinc/83/22/32/354832232.db2.gz DNGWNDGINJBMJB-UHFFFAOYSA-N 3 2 272.437 -0.345 20 0 CBADLP C[N@@H+]1CCN(C(=O)N[C@H]2CCC[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000567715603 354794300 /nfs/dbraw/zinc/79/43/00/354794300.db2.gz KJQHLRZFEZDMOF-QWRGUYRKSA-N 3 2 255.366 -0.977 20 0 CBADLP C[N@H+]1CCN(C(=O)N[C@H]2CCC[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000567715603 354794304 /nfs/dbraw/zinc/79/43/04/354794304.db2.gz KJQHLRZFEZDMOF-QWRGUYRKSA-N 3 2 255.366 -0.977 20 0 CBADLP COC(C)(C)CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000568848021 354832784 /nfs/dbraw/zinc/83/27/84/354832784.db2.gz JKMHAVXCALSCOE-SNVBAGLBSA-N 2 2 258.366 -0.304 20 0 CBADLP COC(C)(C)CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000568848021 354832787 /nfs/dbraw/zinc/83/27/87/354832787.db2.gz JKMHAVXCALSCOE-SNVBAGLBSA-N 2 2 258.366 -0.304 20 0 CBADLP C[N@H+](C[C@H](O)C[NH2+]CCNC(=O)c1ccn[nH]1)C1CC1 ZINC000567710809 354794694 /nfs/dbraw/zinc/79/46/94/354794694.db2.gz SMSCGULXWLRYKY-LLVKDONJSA-N 2 2 281.360 -0.816 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH2+]CCNC(=O)c1ccn[nH]1)C1CC1 ZINC000567710809 354794696 /nfs/dbraw/zinc/79/46/96/354794696.db2.gz SMSCGULXWLRYKY-LLVKDONJSA-N 2 2 281.360 -0.816 20 0 CBADLP C[C@@H]1COCC[C@@H]1CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000570666433 354866851 /nfs/dbraw/zinc/86/68/51/354866851.db2.gz UCGMTUABHJPOJW-JHJVBQTASA-N 2 2 284.404 -0.057 20 0 CBADLP C[C@@H]1COCC[C@@H]1CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000570666433 354866855 /nfs/dbraw/zinc/86/68/55/354866855.db2.gz UCGMTUABHJPOJW-JHJVBQTASA-N 2 2 284.404 -0.057 20 0 CBADLP C[C@@H]([NH2+][C@@H]1CCN(S(C)(=O)=O)C1)[C@@H]1CCC[NH2+]1 ZINC000570805909 354869613 /nfs/dbraw/zinc/86/96/13/354869613.db2.gz QVBGDYUKSAVBQR-MXWKQRLJSA-N 2 2 261.391 -0.250 20 0 CBADLP COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)CCC[NH3+])C1 ZINC000569241335 354840827 /nfs/dbraw/zinc/84/08/27/354840827.db2.gz WCGOHKMNVXRMRO-LLVKDONJSA-N 2 2 271.361 -0.274 20 0 CBADLP COC(=O)C[N@H+]1CCC[C@H](CNC(=O)CCC[NH3+])C1 ZINC000569241335 354840832 /nfs/dbraw/zinc/84/08/32/354840832.db2.gz WCGOHKMNVXRMRO-LLVKDONJSA-N 2 2 271.361 -0.274 20 0 CBADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1CC[C@H](S(=O)(=O)NC(C)C)C1 ZINC000569854575 354848336 /nfs/dbraw/zinc/84/83/36/354848336.db2.gz GCPFCUJDPCDYDC-NWDGAFQWSA-N 2 2 293.433 -0.641 20 0 CBADLP C[NH2+]C[C@@](C)(O)C[N@H+]1CC[C@H](S(=O)(=O)NC(C)C)C1 ZINC000569854575 354848339 /nfs/dbraw/zinc/84/83/39/354848339.db2.gz GCPFCUJDPCDYDC-NWDGAFQWSA-N 2 2 293.433 -0.641 20 0 CBADLP CCS(=O)(=O)C[C@@H](C)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000569928409 354849858 /nfs/dbraw/zinc/84/98/58/354849858.db2.gz QGOHAMVDJUZDEZ-GFCCVEGCSA-N 2 2 277.434 -0.353 20 0 CBADLP CCS(=O)(=O)C[C@@H](C)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000569928409 354849861 /nfs/dbraw/zinc/84/98/61/354849861.db2.gz QGOHAMVDJUZDEZ-GFCCVEGCSA-N 2 2 277.434 -0.353 20 0 CBADLP COC(=O)C[C@H]([NH3+])C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000570088987 354853717 /nfs/dbraw/zinc/85/37/17/354853717.db2.gz RMIZWIGWWZLOIJ-RYUDHWBXSA-N 2 2 299.371 -0.943 20 0 CBADLP [NH3+][C@@H]1C[C@H]2C[N@H+](CCOCC(F)F)CCN2C1=O ZINC000570108385 354854419 /nfs/dbraw/zinc/85/44/19/354854419.db2.gz VIPCOZLVPXXJBS-DTWKUNHWSA-N 2 2 263.288 -0.488 20 0 CBADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](CCOCC(F)F)CCN2C1=O ZINC000570108385 354854421 /nfs/dbraw/zinc/85/44/21/354854421.db2.gz VIPCOZLVPXXJBS-DTWKUNHWSA-N 2 2 263.288 -0.488 20 0 CBADLP Cn1c[nH+]cc1CCC[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC000570173600 354855393 /nfs/dbraw/zinc/85/53/93/354855393.db2.gz KPEYCGGGGBXCRG-NSHDSACASA-N 2 2 252.318 -0.461 20 0 CBADLP Cn1c[nH+]cc1CCC[N@H+]1CCO[C@H](C(N)=O)C1 ZINC000570173600 354855395 /nfs/dbraw/zinc/85/53/95/354855395.db2.gz KPEYCGGGGBXCRG-NSHDSACASA-N 2 2 252.318 -0.461 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NC[C@@H](C)C[NH3+] ZINC000570161396 354855471 /nfs/dbraw/zinc/85/54/71/354855471.db2.gz LMOCPPNXLYLECP-JTQLQIEISA-N 2 2 258.366 -0.846 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NC[C@@H](C)C[NH3+] ZINC000570161396 354855473 /nfs/dbraw/zinc/85/54/73/354855473.db2.gz LMOCPPNXLYLECP-JTQLQIEISA-N 2 2 258.366 -0.846 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000571762785 354878853 /nfs/dbraw/zinc/87/88/53/354878853.db2.gz MKADSGUPPLFQNW-MNOVXSKESA-N 2 2 268.361 -0.854 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000571762785 354878855 /nfs/dbraw/zinc/87/88/55/354878855.db2.gz MKADSGUPPLFQNW-MNOVXSKESA-N 2 2 268.361 -0.854 20 0 CBADLP CCN(CC)C(=O)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000570175975 354856244 /nfs/dbraw/zinc/85/62/44/354856244.db2.gz ICTRVSRNMYYYMG-MNOVXSKESA-N 2 2 268.361 -0.901 20 0 CBADLP CCN(CC)C(=O)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000570175975 354856245 /nfs/dbraw/zinc/85/62/45/354856245.db2.gz ICTRVSRNMYYYMG-MNOVXSKESA-N 2 2 268.361 -0.901 20 0 CBADLP [NH3+][C@@H]1C[C@H]2C[N@H+](CCOC[C@H]3CCCO3)CCN2C1=O ZINC000570294480 354858658 /nfs/dbraw/zinc/85/86/58/354858658.db2.gz VAQAXUFXMNZNQW-YNEHKIRRSA-N 2 2 283.372 -0.574 20 0 CBADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](CCOC[C@H]3CCCO3)CCN2C1=O ZINC000570294480 354858659 /nfs/dbraw/zinc/85/86/59/354858659.db2.gz VAQAXUFXMNZNQW-YNEHKIRRSA-N 2 2 283.372 -0.574 20 0 CBADLP COCC[N@H+](C)CCC[NH2+]C[C@H](C)S(C)(=O)=O ZINC000570444647 354862108 /nfs/dbraw/zinc/86/21/08/354862108.db2.gz UKSLBZOJDWCAJI-NSHDSACASA-N 2 2 266.407 -0.023 20 0 CBADLP COCC[N@@H+](C)CCC[NH2+]C[C@H](C)S(C)(=O)=O ZINC000570444647 354862109 /nfs/dbraw/zinc/86/21/09/354862109.db2.gz UKSLBZOJDWCAJI-NSHDSACASA-N 2 2 266.407 -0.023 20 0 CBADLP Nc1[nH+]cnc(N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c1Cl ZINC000570464597 354862879 /nfs/dbraw/zinc/86/28/79/354862879.db2.gz SGDVQMJMIISRND-BQBZGAKWSA-N 2 2 282.735 -0.540 20 0 CBADLP Nc1nc[nH+]c(N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c1Cl ZINC000570464597 354862880 /nfs/dbraw/zinc/86/28/80/354862880.db2.gz SGDVQMJMIISRND-BQBZGAKWSA-N 2 2 282.735 -0.540 20 0 CBADLP C[C@@H](C[NH+](C)C)NC[C@@H](O)C[NH+]1CCN(C)CC1 ZINC000570509891 354862896 /nfs/dbraw/zinc/86/28/96/354862896.db2.gz LFBTUADWSQXRHV-QWHCGFSZSA-N 2 2 258.410 -0.866 20 0 CBADLP Cn1cc(N2CCC[C@@H]([N@H+](C)C[C@H](O)C[NH3+])C2=O)cn1 ZINC000570520248 354864249 /nfs/dbraw/zinc/86/42/49/354864249.db2.gz UWMFXQSHUMEXKS-VXGBXAGGSA-N 2 2 281.360 -0.833 20 0 CBADLP Cn1cc(N2CCC[C@@H]([N@@H+](C)C[C@H](O)C[NH3+])C2=O)cn1 ZINC000570520248 354864251 /nfs/dbraw/zinc/86/42/51/354864251.db2.gz UWMFXQSHUMEXKS-VXGBXAGGSA-N 2 2 281.360 -0.833 20 0 CBADLP C[N@@H+]1CCN(C(=O)CN2CCCCCCC2=O)[C@@H](C[NH3+])C1 ZINC000573605085 354916787 /nfs/dbraw/zinc/91/67/87/354916787.db2.gz JPFGNUPYGCOWOE-ZDUSSCGKSA-N 2 2 296.415 -0.120 20 0 CBADLP C[N@H+]1CCN(C(=O)CN2CCCCCCC2=O)[C@@H](C[NH3+])C1 ZINC000573605085 354916789 /nfs/dbraw/zinc/91/67/89/354916789.db2.gz JPFGNUPYGCOWOE-ZDUSSCGKSA-N 2 2 296.415 -0.120 20 0 CBADLP [NH3+][C@H]1C[C@H]2C[N@H+](CCN3C[C@H]4CC[C@@H](C3)O4)CCN2C1=O ZINC000571938290 354884014 /nfs/dbraw/zinc/88/40/14/354884014.db2.gz ABRPJDFAQBCMLD-FQUUOJAGSA-N 2 2 294.399 -0.907 20 0 CBADLP [NH3+][C@H]1C[C@H]2C[N@@H+](CCN3C[C@H]4CC[C@@H](C3)O4)CCN2C1=O ZINC000571938290 354884020 /nfs/dbraw/zinc/88/40/20/354884020.db2.gz ABRPJDFAQBCMLD-FQUUOJAGSA-N 2 2 294.399 -0.907 20 0 CBADLP CC[C@H]1C[N@H+](C)CCN1C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000571999091 354884416 /nfs/dbraw/zinc/88/44/16/354884416.db2.gz JKYRFMJNBOSVRM-UONOGXRCSA-N 2 2 297.447 -0.032 20 0 CBADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000571999091 354884419 /nfs/dbraw/zinc/88/44/19/354884419.db2.gz JKYRFMJNBOSVRM-UONOGXRCSA-N 2 2 297.447 -0.032 20 0 CBADLP CC[C@H]1C[NH+](C)CCN1C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000571999091 354884421 /nfs/dbraw/zinc/88/44/21/354884421.db2.gz JKYRFMJNBOSVRM-UONOGXRCSA-N 2 2 297.447 -0.032 20 0 CBADLP CC[C@H]1C[NH+](C)CCN1C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000571999091 354884423 /nfs/dbraw/zinc/88/44/23/354884423.db2.gz JKYRFMJNBOSVRM-UONOGXRCSA-N 2 2 297.447 -0.032 20 0 CBADLP COC(=O)c1cc(CN2CC[N@H+](C)C[C@@H]2C[NH3+])c[nH]1 ZINC000572001552 354885156 /nfs/dbraw/zinc/88/51/56/354885156.db2.gz IZGJSEFDZGTNSW-NSHDSACASA-N 2 2 266.345 -0.124 20 0 CBADLP COC(=O)c1cc(CN2CC[N@@H+](C)C[C@@H]2C[NH3+])c[nH]1 ZINC000572001552 354885159 /nfs/dbraw/zinc/88/51/59/354885159.db2.gz IZGJSEFDZGTNSW-NSHDSACASA-N 2 2 266.345 -0.124 20 0 CBADLP CCOC(=O)CCCNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000572226478 354889519 /nfs/dbraw/zinc/88/95/19/354889519.db2.gz FGZMUFHSMRBEEA-NSHDSACASA-N 2 2 286.376 -0.386 20 0 CBADLP CCOC(=O)CCCNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000572226478 354889523 /nfs/dbraw/zinc/88/95/23/354889523.db2.gz FGZMUFHSMRBEEA-NSHDSACASA-N 2 2 286.376 -0.386 20 0 CBADLP C([C@H]1CCC[NH2+]C1)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000572643092 354893832 /nfs/dbraw/zinc/89/38/32/354893832.db2.gz IVJXTFJGPAELMC-UONOGXRCSA-N 3 2 252.406 -0.035 20 0 CBADLP Cn1cc[nH+]c1N1CC[NH+]([C@H]2COC[C@H]2O)CC1 ZINC000572706741 354895249 /nfs/dbraw/zinc/89/52/49/354895249.db2.gz JLMYUUSRRWSXGL-WDEREUQCSA-N 2 2 252.318 -0.698 20 0 CBADLP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000572749321 354897080 /nfs/dbraw/zinc/89/70/80/354897080.db2.gz UWLXICBIALVQQO-HIFRSBDPSA-N 3 2 290.411 -0.034 20 0 CBADLP C[C@@H](C(=O)N1CC[N@H+](CCO)C[C@H]1C)[NH+]1CC(C)C1 ZINC000572780549 354897987 /nfs/dbraw/zinc/89/79/87/354897987.db2.gz NWWYMWFGGBRGJR-OLZOCXBDSA-N 2 2 269.389 -0.148 20 0 CBADLP C[C@@H](C(=O)N1CC[N@@H+](CCO)C[C@H]1C)[NH+]1CC(C)C1 ZINC000572780549 354897990 /nfs/dbraw/zinc/89/79/90/354897990.db2.gz NWWYMWFGGBRGJR-OLZOCXBDSA-N 2 2 269.389 -0.148 20 0 CBADLP CCOC(=O)CNC(=O)C1CC[NH+](CC[NH3+])CC1 ZINC000573207351 354907046 /nfs/dbraw/zinc/90/70/46/354907046.db2.gz OFNIBCFNGSVMAQ-UHFFFAOYSA-N 2 2 257.334 -0.664 20 0 CBADLP CC1CC[NH+](CCNC[C@H](O)C[NH+]2CCN(C)CC2)CC1 ZINC000573236614 354907744 /nfs/dbraw/zinc/90/77/44/354907744.db2.gz GPTXUOMDRIDIFL-INIZCTEOSA-N 2 2 298.475 -0.084 20 0 CBADLP CN(CC1CC1)C(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000573459863 354912787 /nfs/dbraw/zinc/91/27/87/354912787.db2.gz PPFPKBMRKBFZNQ-VXGBXAGGSA-N 2 2 280.372 -0.901 20 0 CBADLP CN(CC1CC1)C(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000573459863 354912789 /nfs/dbraw/zinc/91/27/89/354912789.db2.gz PPFPKBMRKBFZNQ-VXGBXAGGSA-N 2 2 280.372 -0.901 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@]12CCNC2=O ZINC000571818664 354881115 /nfs/dbraw/zinc/88/11/15/354881115.db2.gz SQCCVLWKDXIBRT-WCQYABFASA-N 2 2 255.362 -0.347 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@]12CCNC2=O ZINC000571818664 354881119 /nfs/dbraw/zinc/88/11/19/354881119.db2.gz SQCCVLWKDXIBRT-WCQYABFASA-N 2 2 255.362 -0.347 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@]12CCNC2=O ZINC000571818664 354881121 /nfs/dbraw/zinc/88/11/21/354881121.db2.gz SQCCVLWKDXIBRT-WCQYABFASA-N 2 2 255.362 -0.347 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@]12CCNC2=O ZINC000571818664 354881124 /nfs/dbraw/zinc/88/11/24/354881124.db2.gz SQCCVLWKDXIBRT-WCQYABFASA-N 2 2 255.362 -0.347 20 0 CBADLP C[N@@H+]1CCN(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)[C@H](C[NH3+])C1 ZINC000571865975 354882323 /nfs/dbraw/zinc/88/23/23/354882323.db2.gz AMOFTWIKIHFXAB-NXEZZACHSA-N 3 2 291.346 -0.732 20 0 CBADLP C[N@H+]1CCN(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)[C@H](C[NH3+])C1 ZINC000571865975 354882326 /nfs/dbraw/zinc/88/23/26/354882326.db2.gz AMOFTWIKIHFXAB-NXEZZACHSA-N 3 2 291.346 -0.732 20 0 CBADLP O=C(NC1C[NH2+]C1)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000571898622 354882945 /nfs/dbraw/zinc/88/29/45/354882945.db2.gz BBCADXXSMOHCDQ-SNVBAGLBSA-N 2 2 277.328 -0.449 20 0 CBADLP [NH3+][C@H]1C[C@@H](C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000573729353 354919985 /nfs/dbraw/zinc/91/99/85/354919985.db2.gz SWCJCFJACXGHEL-TXEJJXNPSA-N 2 2 293.371 -0.109 20 0 CBADLP C[C@H](C(=O)N1CC[NH2+]C[C@@H]1C(F)F)N1CC[NH+](C)CC1 ZINC000573728034 354920003 /nfs/dbraw/zinc/92/00/03/354920003.db2.gz VTNXQUSGQZIKFE-GHMZBOCLSA-N 2 2 290.358 -0.312 20 0 CBADLP CCC[N@H+](C[C@@H](O)C[NH+](C)CC)[C@H]1CC(=O)N(C)C1=O ZINC000574096677 354928725 /nfs/dbraw/zinc/92/87/25/354928725.db2.gz DWLPJDRBNAMNKN-RYUDHWBXSA-N 2 2 285.388 -0.232 20 0 CBADLP CCC[N@@H+](C[C@@H](O)C[NH+](C)CC)[C@H]1CC(=O)N(C)C1=O ZINC000574096677 354928728 /nfs/dbraw/zinc/92/87/28/354928728.db2.gz DWLPJDRBNAMNKN-RYUDHWBXSA-N 2 2 285.388 -0.232 20 0 CBADLP CCC[NH+](C[C@@H](O)C[N@H+](C)CC)[C@H]1CC(=O)N(C)C1=O ZINC000574096677 354928729 /nfs/dbraw/zinc/92/87/29/354928729.db2.gz DWLPJDRBNAMNKN-RYUDHWBXSA-N 2 2 285.388 -0.232 20 0 CBADLP CCC[NH+](C[C@@H](O)C[N@@H+](C)CC)[C@H]1CC(=O)N(C)C1=O ZINC000574096677 354928730 /nfs/dbraw/zinc/92/87/30/354928730.db2.gz DWLPJDRBNAMNKN-RYUDHWBXSA-N 2 2 285.388 -0.232 20 0 CBADLP CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000574099083 354928789 /nfs/dbraw/zinc/92/87/89/354928789.db2.gz GQAJJGZEVMBQKA-SDDRHHMPSA-N 2 2 296.415 -0.077 20 0 CBADLP CCC(C)(C)NC(=O)[C@H](C)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000574099083 354928790 /nfs/dbraw/zinc/92/87/90/354928790.db2.gz GQAJJGZEVMBQKA-SDDRHHMPSA-N 2 2 296.415 -0.077 20 0 CBADLP CCC[N@H+](C[C@H](O)C[NH+](C)CC)[C@H]1CC(=O)N(C)C1=O ZINC000574096675 354928807 /nfs/dbraw/zinc/92/88/07/354928807.db2.gz DWLPJDRBNAMNKN-NEPJUHHUSA-N 2 2 285.388 -0.232 20 0 CBADLP CCC[N@@H+](C[C@H](O)C[NH+](C)CC)[C@H]1CC(=O)N(C)C1=O ZINC000574096675 354928809 /nfs/dbraw/zinc/92/88/09/354928809.db2.gz DWLPJDRBNAMNKN-NEPJUHHUSA-N 2 2 285.388 -0.232 20 0 CBADLP CCC[NH+](C[C@H](O)C[N@H+](C)CC)[C@H]1CC(=O)N(C)C1=O ZINC000574096675 354928810 /nfs/dbraw/zinc/92/88/10/354928810.db2.gz DWLPJDRBNAMNKN-NEPJUHHUSA-N 2 2 285.388 -0.232 20 0 CBADLP CCC[NH+](C[C@H](O)C[N@@H+](C)CC)[C@H]1CC(=O)N(C)C1=O ZINC000574096675 354928811 /nfs/dbraw/zinc/92/88/11/354928811.db2.gz DWLPJDRBNAMNKN-NEPJUHHUSA-N 2 2 285.388 -0.232 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000574168778 354929288 /nfs/dbraw/zinc/92/92/88/354929288.db2.gz HAQWIRAHUFAIOQ-CHWSQXEVSA-N 2 2 284.404 -0.211 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000574168778 354929293 /nfs/dbraw/zinc/92/92/93/354929293.db2.gz HAQWIRAHUFAIOQ-CHWSQXEVSA-N 2 2 284.404 -0.211 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000574168778 354929294 /nfs/dbraw/zinc/92/92/94/354929294.db2.gz HAQWIRAHUFAIOQ-CHWSQXEVSA-N 2 2 284.404 -0.211 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000574168778 354929296 /nfs/dbraw/zinc/92/92/96/354929296.db2.gz HAQWIRAHUFAIOQ-CHWSQXEVSA-N 2 2 284.404 -0.211 20 0 CBADLP C[N@@H+]1CCN(C(=O)CCC(=O)NC2CCCC2)[C@@H](C[NH3+])C1 ZINC000575401814 354935578 /nfs/dbraw/zinc/93/55/78/354935578.db2.gz OFGZYACILZIGBF-ZDUSSCGKSA-N 2 2 296.415 -0.073 20 0 CBADLP C[N@H+]1CCN(C(=O)CCC(=O)NC2CCCC2)[C@@H](C[NH3+])C1 ZINC000575401814 354935581 /nfs/dbraw/zinc/93/55/81/354935581.db2.gz OFGZYACILZIGBF-ZDUSSCGKSA-N 2 2 296.415 -0.073 20 0 CBADLP C[C@H](C[C@H](C)[NH3+])NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000577489238 354938332 /nfs/dbraw/zinc/93/83/32/354938332.db2.gz QVTAEKNCQORZAS-HBNTYKKESA-N 3 2 257.382 -0.604 20 0 CBADLP C[C@H](C[C@H](C)[NH3+])NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000577489238 354938336 /nfs/dbraw/zinc/93/83/36/354938336.db2.gz QVTAEKNCQORZAS-HBNTYKKESA-N 3 2 257.382 -0.604 20 0 CBADLP CC(C)OC(=O)CCNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000578121633 354938895 /nfs/dbraw/zinc/93/88/95/354938895.db2.gz ZWBQKMIYPISSSJ-NSHDSACASA-N 2 2 286.376 -0.388 20 0 CBADLP CC(C)OC(=O)CCNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000578121633 354938897 /nfs/dbraw/zinc/93/88/97/354938897.db2.gz ZWBQKMIYPISSSJ-NSHDSACASA-N 2 2 286.376 -0.388 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+](CCO)[C@@H]1CCO[C@@H]1C ZINC000578519318 354947783 /nfs/dbraw/zinc/94/77/83/354947783.db2.gz WMRPYODPNUXUGT-HZSPNIEDSA-N 2 2 290.404 -0.603 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+](CCO)[C@@H]1CCO[C@@H]1C ZINC000578519318 354947787 /nfs/dbraw/zinc/94/77/87/354947787.db2.gz WMRPYODPNUXUGT-HZSPNIEDSA-N 2 2 290.404 -0.603 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+](CCO)[C@@H]1CCO[C@@H]1C ZINC000578519318 354947788 /nfs/dbraw/zinc/94/77/88/354947788.db2.gz WMRPYODPNUXUGT-HZSPNIEDSA-N 2 2 290.404 -0.603 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+](CCO)[C@@H]1CCO[C@@H]1C ZINC000578519318 354947792 /nfs/dbraw/zinc/94/77/92/354947792.db2.gz WMRPYODPNUXUGT-HZSPNIEDSA-N 2 2 290.404 -0.603 20 0 CBADLP C[C@H](CNC(=O)CC[NH2+]C1CC1)[NH+]1CCN(C)CC1 ZINC000578522842 354948828 /nfs/dbraw/zinc/94/88/28/354948828.db2.gz YSDOMJKAZCOFBD-GFCCVEGCSA-N 2 2 268.405 -0.119 20 0 CBADLP Cc1c(C[N@H+](C)CC(=O)N2CC[NH+](C)CC2)cnn1C ZINC000578602008 354949570 /nfs/dbraw/zinc/94/95/70/354949570.db2.gz QUESUHYRDPKSOU-UHFFFAOYSA-N 2 2 279.388 -0.066 20 0 CBADLP Cc1c(C[N@@H+](C)CC(=O)N2CC[NH+](C)CC2)cnn1C ZINC000578602008 354949573 /nfs/dbraw/zinc/94/95/73/354949573.db2.gz QUESUHYRDPKSOU-UHFFFAOYSA-N 2 2 279.388 -0.066 20 0 CBADLP CO[C@@H]1C[NH2+][C@@H](C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)C1 ZINC000578655053 354951348 /nfs/dbraw/zinc/95/13/48/354951348.db2.gz QWFNGPVWHTYDPX-SDDRHHMPSA-N 2 2 271.361 -0.800 20 0 CBADLP CO[C@@H]1C[NH2+][C@@H](C(=O)NCC[N@H+]2CCO[C@@H](C)C2)C1 ZINC000578655053 354951349 /nfs/dbraw/zinc/95/13/49/354951349.db2.gz QWFNGPVWHTYDPX-SDDRHHMPSA-N 2 2 271.361 -0.800 20 0 CBADLP CCCNC(=O)CCCC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000578648882 354951453 /nfs/dbraw/zinc/95/14/53/354951453.db2.gz QHSOPNUJHJYSCL-GFCCVEGCSA-N 2 2 284.404 -0.216 20 0 CBADLP CCCNC(=O)CCCC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000578648882 354951455 /nfs/dbraw/zinc/95/14/55/354951455.db2.gz QHSOPNUJHJYSCL-GFCCVEGCSA-N 2 2 284.404 -0.216 20 0 CBADLP CO[C@@H]1CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)[C@H](C[NH3+])C1 ZINC000578867980 354956380 /nfs/dbraw/zinc/95/63/80/354956380.db2.gz JWEXCIQSSSISQJ-UONOGXRCSA-N 3 2 298.431 -0.411 20 0 CBADLP CO[C@@H]1CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)[C@H](C[NH3+])C1 ZINC000578867980 354956383 /nfs/dbraw/zinc/95/63/83/354956383.db2.gz JWEXCIQSSSISQJ-UONOGXRCSA-N 3 2 298.431 -0.411 20 0 CBADLP C[NH2+][C@H]1CCC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000579122398 354962696 /nfs/dbraw/zinc/96/26/96/354962696.db2.gz CFMSCOJKKJPYLK-LBPRGKRZSA-N 3 2 254.378 -0.508 20 0 CBADLP C[NH2+][C@H]1CCC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000579122398 354962701 /nfs/dbraw/zinc/96/27/01/354962701.db2.gz CFMSCOJKKJPYLK-LBPRGKRZSA-N 3 2 254.378 -0.508 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(S(=O)(=O)NC)CC1 ZINC000579254523 354965828 /nfs/dbraw/zinc/96/58/28/354965828.db2.gz LYOBMEBVZQDDDC-NSHDSACASA-N 2 2 293.433 -0.687 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(S(=O)(=O)NC)CC1 ZINC000579254523 354965831 /nfs/dbraw/zinc/96/58/31/354965831.db2.gz LYOBMEBVZQDDDC-NSHDSACASA-N 2 2 293.433 -0.687 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](C(=O)N(C)C)C1 ZINC000579255676 354966452 /nfs/dbraw/zinc/96/64/52/354966452.db2.gz NANIKLKLPDXXJO-CHWSQXEVSA-N 2 2 287.404 -0.664 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](C(=O)N(C)C)C1 ZINC000579255676 354966454 /nfs/dbraw/zinc/96/64/54/354966454.db2.gz NANIKLKLPDXXJO-CHWSQXEVSA-N 2 2 287.404 -0.664 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](C(=O)N(C)C)C1 ZINC000579255676 354966457 /nfs/dbraw/zinc/96/64/57/354966457.db2.gz NANIKLKLPDXXJO-CHWSQXEVSA-N 2 2 287.404 -0.664 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](C(=O)N(C)C)C1 ZINC000579255676 354966459 /nfs/dbraw/zinc/96/64/59/354966459.db2.gz NANIKLKLPDXXJO-CHWSQXEVSA-N 2 2 287.404 -0.664 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](C(=O)N(C)C)C1 ZINC000579255678 354967103 /nfs/dbraw/zinc/96/71/03/354967103.db2.gz NANIKLKLPDXXJO-QWHCGFSZSA-N 2 2 287.404 -0.664 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](C(=O)N(C)C)C1 ZINC000579255678 354967106 /nfs/dbraw/zinc/96/71/06/354967106.db2.gz NANIKLKLPDXXJO-QWHCGFSZSA-N 2 2 287.404 -0.664 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](C(=O)N(C)C)C1 ZINC000579255678 354967109 /nfs/dbraw/zinc/96/71/09/354967109.db2.gz NANIKLKLPDXXJO-QWHCGFSZSA-N 2 2 287.404 -0.664 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](C(=O)N(C)C)C1 ZINC000579255678 354967113 /nfs/dbraw/zinc/96/71/13/354967113.db2.gz NANIKLKLPDXXJO-QWHCGFSZSA-N 2 2 287.404 -0.664 20 0 CBADLP C[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](CCO)C[C@H]2C)C1 ZINC000579373584 354969215 /nfs/dbraw/zinc/96/92/15/354969215.db2.gz ZFANLMUBYATVLF-CHWSQXEVSA-N 2 2 269.389 -0.147 20 0 CBADLP C[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](CCO)C[C@H]2C)C1 ZINC000579373584 354969219 /nfs/dbraw/zinc/96/92/19/354969219.db2.gz ZFANLMUBYATVLF-CHWSQXEVSA-N 2 2 269.389 -0.147 20 0 CBADLP C[C@@H]1CC[NH+](CC(=O)N2CC[N@H+](CCO)C[C@H]2C)C1 ZINC000579373584 354969222 /nfs/dbraw/zinc/96/92/22/354969222.db2.gz ZFANLMUBYATVLF-CHWSQXEVSA-N 2 2 269.389 -0.147 20 0 CBADLP C[C@@H]1CC[NH+](CC(=O)N2CC[N@@H+](CCO)C[C@H]2C)C1 ZINC000579373584 354969225 /nfs/dbraw/zinc/96/92/25/354969225.db2.gz ZFANLMUBYATVLF-CHWSQXEVSA-N 2 2 269.389 -0.147 20 0 CBADLP COC(=O)[C@@H]1CN(C(=O)[C@@H](C)[NH+]2CC(C)C2)CC[N@H+](C)C1 ZINC000579373018 354969390 /nfs/dbraw/zinc/96/93/90/354969390.db2.gz NWISGTYMIXYWHY-OLZOCXBDSA-N 2 2 297.399 -0.110 20 0 CBADLP COC(=O)[C@@H]1CN(C(=O)[C@@H](C)[NH+]2CC(C)C2)CC[N@@H+](C)C1 ZINC000579373018 354969393 /nfs/dbraw/zinc/96/93/93/354969393.db2.gz NWISGTYMIXYWHY-OLZOCXBDSA-N 2 2 297.399 -0.110 20 0 CBADLP COC(=O)CNC(=O)[C@H](C)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000579370548 354969518 /nfs/dbraw/zinc/96/95/18/354969518.db2.gz LQVCYFSWWIFOPM-QWRGUYRKSA-N 2 2 294.355 -0.113 20 0 CBADLP COC(=O)CNC(=O)[C@H](C)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000579370548 354969520 /nfs/dbraw/zinc/96/95/20/354969520.db2.gz LQVCYFSWWIFOPM-QWRGUYRKSA-N 2 2 294.355 -0.113 20 0 CBADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)[C@@H](C)C[N@@H+]1CCO ZINC000579719751 354977664 /nfs/dbraw/zinc/97/76/64/354977664.db2.gz IBRFIXUALSTDDE-NEPJUHHUSA-N 2 2 266.345 -0.203 20 0 CBADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)[C@@H](C)C[N@H+]1CCO ZINC000579719751 354977670 /nfs/dbraw/zinc/97/76/70/354977670.db2.gz IBRFIXUALSTDDE-NEPJUHHUSA-N 2 2 266.345 -0.203 20 0 CBADLP C[C@@H](NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C(=O)NCC[NH+](C)C ZINC000579857987 354981678 /nfs/dbraw/zinc/98/16/78/354981678.db2.gz NTIZNXZXQFNIKK-WDEREUQCSA-N 2 2 295.387 -0.229 20 0 CBADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C)C(=O)NCC[NH+](C)C ZINC000579857985 354982549 /nfs/dbraw/zinc/98/25/49/354982549.db2.gz NTIZNXZXQFNIKK-MNOVXSKESA-N 2 2 295.387 -0.229 20 0 CBADLP CC(C)(CNC(=O)[C@H]1C[C@@H]([NH3+])C1)[NH+]1CCOCC1 ZINC000579964237 354984990 /nfs/dbraw/zinc/98/49/90/354984990.db2.gz ZFIRNAAWYIXGQY-PHIMTYICSA-N 2 2 255.362 -0.049 20 0 CBADLP CC(C)([NH3+])C[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000580326652 354993476 /nfs/dbraw/zinc/99/34/76/354993476.db2.gz WOCWGOOQLASNGB-OLZOCXBDSA-N 3 2 295.431 -0.056 20 0 CBADLP CC(C)([NH3+])C[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000580326652 354993480 /nfs/dbraw/zinc/99/34/80/354993480.db2.gz WOCWGOOQLASNGB-OLZOCXBDSA-N 3 2 295.431 -0.056 20 0 CBADLP COc1cc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])ncn1 ZINC000580418254 354996075 /nfs/dbraw/zinc/99/60/75/354996075.db2.gz SMHUZFRZPCTRRB-VIFPVBQESA-N 2 2 280.332 -0.408 20 0 CBADLP COc1cc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])ncn1 ZINC000580418254 354996077 /nfs/dbraw/zinc/99/60/77/354996077.db2.gz SMHUZFRZPCTRRB-VIFPVBQESA-N 2 2 280.332 -0.408 20 0 CBADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+][C@@H]2CC(=O)N(C)C2)C[C@H](C)O1 ZINC000584834368 355039066 /nfs/dbraw/zinc/03/90/66/355039066.db2.gz KTTVIWCTTFAUGU-YVECIDJPSA-N 2 2 285.388 -0.723 20 0 CBADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+][C@@H]2CC(=O)N(C)C2)C[C@H](C)O1 ZINC000584834368 355039069 /nfs/dbraw/zinc/03/90/69/355039069.db2.gz KTTVIWCTTFAUGU-YVECIDJPSA-N 2 2 285.388 -0.723 20 0 CBADLP CCOC(=O)CNC(=O)C1CC[NH+](C[C@H](C)[NH3+])CC1 ZINC000584840230 355039813 /nfs/dbraw/zinc/03/98/13/355039813.db2.gz QRCLSRMXTAETOX-JTQLQIEISA-N 2 2 271.361 -0.275 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000581020659 355004642 /nfs/dbraw/zinc/00/46/42/355004642.db2.gz ZNHLILOWPCTUJD-GXTWGEPZSA-N 2 2 285.388 -0.863 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000581020659 355004644 /nfs/dbraw/zinc/00/46/44/355004644.db2.gz ZNHLILOWPCTUJD-GXTWGEPZSA-N 2 2 285.388 -0.863 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000581020659 355004647 /nfs/dbraw/zinc/00/46/47/355004647.db2.gz ZNHLILOWPCTUJD-GXTWGEPZSA-N 2 2 285.388 -0.863 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000581020659 355004649 /nfs/dbraw/zinc/00/46/49/355004649.db2.gz ZNHLILOWPCTUJD-GXTWGEPZSA-N 2 2 285.388 -0.863 20 0 CBADLP C[N@H+](C[C@@H](O)C[NH2+]C[C@@H]1CCCCS1(=O)=O)C1CC1 ZINC000582117721 355008628 /nfs/dbraw/zinc/00/86/28/355008628.db2.gz CXNUJDMKRBXPKE-STQMWFEESA-N 2 2 290.429 -0.002 20 0 CBADLP C[N@@H+](C[C@@H](O)C[NH2+]C[C@@H]1CCCCS1(=O)=O)C1CC1 ZINC000582117721 355008630 /nfs/dbraw/zinc/00/86/30/355008630.db2.gz CXNUJDMKRBXPKE-STQMWFEESA-N 2 2 290.429 -0.002 20 0 CBADLP CCCN(CCC)C(=O)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000582370907 355015052 /nfs/dbraw/zinc/01/50/52/355015052.db2.gz DCAXPGOSYOLKMA-OLZOCXBDSA-N 2 2 296.415 -0.121 20 0 CBADLP CCCN(CCC)C(=O)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000582370907 355015054 /nfs/dbraw/zinc/01/50/54/355015054.db2.gz DCAXPGOSYOLKMA-OLZOCXBDSA-N 2 2 296.415 -0.121 20 0 CBADLP C[NH2+]CC(=O)NC[C@H]1CCC[N@H+](CC(=O)OC)C1 ZINC000583870913 355023249 /nfs/dbraw/zinc/02/32/49/355023249.db2.gz ZEGQHMAWQNBSQI-SNVBAGLBSA-N 2 2 257.334 -0.793 20 0 CBADLP C[NH2+]CC(=O)NC[C@H]1CCC[N@@H+](CC(=O)OC)C1 ZINC000583870913 355023253 /nfs/dbraw/zinc/02/32/53/355023253.db2.gz ZEGQHMAWQNBSQI-SNVBAGLBSA-N 2 2 257.334 -0.793 20 0 CBADLP C[N@H+](C[C@H](O)C[NH2+]CC1(CS(C)(=O)=O)CC1)C1CC1 ZINC000584108319 355028837 /nfs/dbraw/zinc/02/88/37/355028837.db2.gz YTQJIMSLCMFRSS-GFCCVEGCSA-N 2 2 290.429 -0.144 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH2+]CC1(CS(C)(=O)=O)CC1)C1CC1 ZINC000584108319 355028842 /nfs/dbraw/zinc/02/88/42/355028842.db2.gz YTQJIMSLCMFRSS-GFCCVEGCSA-N 2 2 290.429 -0.144 20 0 CBADLP C[N@H+](C[C@@H](O)C[NH2+]Cc1ccc(C(N)=O)nc1)C1CC1 ZINC000584345906 355029409 /nfs/dbraw/zinc/02/94/09/355029409.db2.gz HPYLGJXOGALQNY-LBPRGKRZSA-N 2 2 278.356 -0.275 20 0 CBADLP C[N@@H+](C[C@@H](O)C[NH2+]Cc1ccc(C(N)=O)nc1)C1CC1 ZINC000584345906 355029411 /nfs/dbraw/zinc/02/94/11/355029411.db2.gz HPYLGJXOGALQNY-LBPRGKRZSA-N 2 2 278.356 -0.275 20 0 CBADLP NC(=O)NC(=O)C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000585716930 355048577 /nfs/dbraw/zinc/04/85/77/355048577.db2.gz FUDHYJUWPSGQSG-LLVKDONJSA-N 2 2 284.360 -0.632 20 0 CBADLP NC(=O)NC(=O)C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000585716930 355048583 /nfs/dbraw/zinc/04/85/83/355048583.db2.gz FUDHYJUWPSGQSG-LLVKDONJSA-N 2 2 284.360 -0.632 20 0 CBADLP Nc1nc(N)nc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)n1 ZINC000591866525 355114211 /nfs/dbraw/zinc/11/42/11/355114211.db2.gz BMLKDTRHBGHGJI-SECBINFHSA-N 2 2 274.332 -0.270 20 0 CBADLP Nc1nc(N)nc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)n1 ZINC000591866525 355114213 /nfs/dbraw/zinc/11/42/13/355114213.db2.gz BMLKDTRHBGHGJI-SECBINFHSA-N 2 2 274.332 -0.270 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]2CC[NH+](C)C2)CCO1 ZINC000591452661 355095231 /nfs/dbraw/zinc/09/52/31/355095231.db2.gz OIRHCXGCRWHBHJ-NEPJUHHUSA-N 2 2 255.362 -0.225 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2CC[NH+](C)C2)CCO1 ZINC000591452661 355095236 /nfs/dbraw/zinc/09/52/36/355095236.db2.gz OIRHCXGCRWHBHJ-NEPJUHHUSA-N 2 2 255.362 -0.225 20 0 CBADLP C[C@@H]1C[NH+](CCNC(=O)[C@H]2CC[N@H+](C)C2)CCO1 ZINC000591452661 355095239 /nfs/dbraw/zinc/09/52/39/355095239.db2.gz OIRHCXGCRWHBHJ-NEPJUHHUSA-N 2 2 255.362 -0.225 20 0 CBADLP C[C@@H]1C[NH+](CCNC(=O)[C@H]2CC[N@@H+](C)C2)CCO1 ZINC000591452661 355095242 /nfs/dbraw/zinc/09/52/42/355095242.db2.gz OIRHCXGCRWHBHJ-NEPJUHHUSA-N 2 2 255.362 -0.225 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC000591460623 355096168 /nfs/dbraw/zinc/09/61/68/355096168.db2.gz UAXPABLQZMGRAU-RYUDHWBXSA-N 2 2 255.362 -0.225 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC000591460623 355096171 /nfs/dbraw/zinc/09/61/71/355096171.db2.gz UAXPABLQZMGRAU-RYUDHWBXSA-N 2 2 255.362 -0.225 20 0 CBADLP C[C@H]1COCC[NH+]1CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000591460623 355096175 /nfs/dbraw/zinc/09/61/75/355096175.db2.gz UAXPABLQZMGRAU-RYUDHWBXSA-N 2 2 255.362 -0.225 20 0 CBADLP C[C@H]1COCC[NH+]1CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000591460623 355096177 /nfs/dbraw/zinc/09/61/77/355096177.db2.gz UAXPABLQZMGRAU-RYUDHWBXSA-N 2 2 255.362 -0.225 20 0 CBADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC1 ZINC000592562115 355164596 /nfs/dbraw/zinc/16/45/96/355164596.db2.gz NDSIAEOCFUNMPG-LPWJVIDDSA-N 2 2 295.383 -0.167 20 0 CBADLP COC(=O)[C@H]1C[C@H](O)C[N@H+](CCc2c[nH+]cn2C)C1 ZINC000592194202 355139413 /nfs/dbraw/zinc/13/94/13/355139413.db2.gz FDPJLVFOIIPOFX-JQWIXIFHSA-N 2 2 267.329 -0.182 20 0 CBADLP COC(=O)[C@H]1C[C@H](O)C[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000592194202 355139415 /nfs/dbraw/zinc/13/94/15/355139415.db2.gz FDPJLVFOIIPOFX-JQWIXIFHSA-N 2 2 267.329 -0.182 20 0 CBADLP COC(=O)[C@@H]1C[C@H](O)C[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000592205443 355141351 /nfs/dbraw/zinc/14/13/51/355141351.db2.gz KLKMOXJFCFRZMH-WXHSDQCUSA-N 2 2 286.372 -0.703 20 0 CBADLP COC(=O)[C@@H]1C[C@H](O)C[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000592205443 355141353 /nfs/dbraw/zinc/14/13/53/355141353.db2.gz KLKMOXJFCFRZMH-WXHSDQCUSA-N 2 2 286.372 -0.703 20 0 CBADLP COC(=O)[C@@H]1C[C@H](O)C[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000592205443 355141355 /nfs/dbraw/zinc/14/13/55/355141355.db2.gz KLKMOXJFCFRZMH-WXHSDQCUSA-N 2 2 286.372 -0.703 20 0 CBADLP COC(=O)[C@@H]1C[C@H](O)C[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000592205443 355141356 /nfs/dbraw/zinc/14/13/56/355141356.db2.gz KLKMOXJFCFRZMH-WXHSDQCUSA-N 2 2 286.372 -0.703 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](O)C[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000592205441 355141569 /nfs/dbraw/zinc/14/15/69/355141569.db2.gz KLKMOXJFCFRZMH-RAIGVLPGSA-N 2 2 286.372 -0.703 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000592205441 355141571 /nfs/dbraw/zinc/14/15/71/355141571.db2.gz KLKMOXJFCFRZMH-RAIGVLPGSA-N 2 2 286.372 -0.703 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](O)C[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000592205441 355141573 /nfs/dbraw/zinc/14/15/73/355141573.db2.gz KLKMOXJFCFRZMH-RAIGVLPGSA-N 2 2 286.372 -0.703 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](O)C[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000592205441 355141576 /nfs/dbraw/zinc/14/15/76/355141576.db2.gz KLKMOXJFCFRZMH-RAIGVLPGSA-N 2 2 286.372 -0.703 20 0 CBADLP CCOC(=O)C[N@@H+]1CCCN(C(=O)C[C@@H](C)[NH3+])CC1 ZINC000592260795 355145609 /nfs/dbraw/zinc/14/56/09/355145609.db2.gz NZVRHZPPMJHVQW-LLVKDONJSA-N 2 2 271.361 -0.179 20 0 CBADLP CCOC(=O)C[N@H+]1CCCN(C(=O)C[C@@H](C)[NH3+])CC1 ZINC000592260795 355145612 /nfs/dbraw/zinc/14/56/12/355145612.db2.gz NZVRHZPPMJHVQW-LLVKDONJSA-N 2 2 271.361 -0.179 20 0 CBADLP COC(=O)CN(C)C(=O)CC[N@@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000592475247 355156088 /nfs/dbraw/zinc/15/60/88/355156088.db2.gz FKHRJKMKPHBXGE-GHMZBOCLSA-N 2 2 287.360 -0.944 20 0 CBADLP COC(=O)CN(C)C(=O)CC[N@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000592475247 355156092 /nfs/dbraw/zinc/15/60/92/355156092.db2.gz FKHRJKMKPHBXGE-GHMZBOCLSA-N 2 2 287.360 -0.944 20 0 CBADLP CC[C@H]1C[N@H+](CC(=O)NCCC(=O)OC)CC[C@H]1[NH3+] ZINC000592487931 355157067 /nfs/dbraw/zinc/15/70/67/355157067.db2.gz CSSAOAWOYNPTHW-WDEREUQCSA-N 2 2 271.361 -0.275 20 0 CBADLP CC[C@H]1C[N@@H+](CC(=O)NCCC(=O)OC)CC[C@H]1[NH3+] ZINC000592487931 355157071 /nfs/dbraw/zinc/15/70/71/355157071.db2.gz CSSAOAWOYNPTHW-WDEREUQCSA-N 2 2 271.361 -0.275 20 0 CBADLP COC(=O)C[C@H]([NH3+])C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000592954512 355186888 /nfs/dbraw/zinc/18/68/88/355186888.db2.gz AKTDMZVWVCSKHX-RYUDHWBXSA-N 2 2 299.371 -0.800 20 0 CBADLP CCOC(=O)CCCNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000593902401 355225888 /nfs/dbraw/zinc/22/58/88/355225888.db2.gz SHCRASUOYOMFKK-SNVBAGLBSA-N 2 2 259.350 -0.275 20 0 CBADLP COC(=O)[C@@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)C(C)(C)C ZINC000593904034 355225980 /nfs/dbraw/zinc/22/59/80/355225980.db2.gz QEGMCIDPAUAGAI-NXEZZACHSA-N 2 2 273.377 -0.031 20 0 CBADLP COC(=O)[C@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C(C)C ZINC000593901194 355226411 /nfs/dbraw/zinc/22/64/11/355226411.db2.gz AXVUFGFTQUREHZ-VHSXEESVSA-N 2 2 259.350 -0.421 20 0 CBADLP CC[C@H](C)[C@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C(=O)OC ZINC000593903682 355226494 /nfs/dbraw/zinc/22/64/94/355226494.db2.gz JWIOBUVJSIJZRP-DCAQKATOSA-N 2 2 273.377 -0.031 20 0 CBADLP COC[C@](C)(CC(=O)OC)NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000593905413 355226759 /nfs/dbraw/zinc/22/67/59/355226759.db2.gz GASLVVNCQDEYCZ-GWCFXTLKSA-N 2 2 289.376 -0.650 20 0 CBADLP CCOC(=O)[C@H](C)[C@@H](C)NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000593907442 355227128 /nfs/dbraw/zinc/22/71/28/355227128.db2.gz OVCISVFNROUDJE-GMTAPVOTSA-N 2 2 273.377 -0.031 20 0 CBADLP CCOC(=O)C(C)(C)NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000593904577 355227252 /nfs/dbraw/zinc/22/72/52/355227252.db2.gz ZTDJFMFYIKAOTC-SECBINFHSA-N 2 2 259.350 -0.277 20 0 CBADLP CCOC(=O)[C@H](C)CNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000593909961 355228195 /nfs/dbraw/zinc/22/81/95/355228195.db2.gz OQQDKAFEOTWPAK-NXEZZACHSA-N 2 2 259.350 -0.419 20 0 CBADLP CCOC(=O)c1cnc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)n1C ZINC000593924462 355231345 /nfs/dbraw/zinc/23/13/45/355231345.db2.gz HNOCHJPYLQLSJE-SECBINFHSA-N 2 2 297.359 -0.186 20 0 CBADLP [NH3+][C@H]1C[C@H]2C[N@H+](Cc3cnc4cnccn34)CCN2C1=O ZINC000594736358 355259599 /nfs/dbraw/zinc/25/95/99/355259599.db2.gz CYITYQUHRGYRJT-JQWIXIFHSA-N 2 2 286.339 -0.527 20 0 CBADLP [NH3+][C@H]1C[C@H]2C[N@@H+](Cc3cnc4cnccn34)CCN2C1=O ZINC000594736358 355259600 /nfs/dbraw/zinc/25/96/00/355259600.db2.gz CYITYQUHRGYRJT-JQWIXIFHSA-N 2 2 286.339 -0.527 20 0 CBADLP CC(C)OC(=O)CC[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000594876075 355266056 /nfs/dbraw/zinc/26/60/56/355266056.db2.gz BYYIXDGEWMFELO-QWRGUYRKSA-N 2 2 269.345 -0.428 20 0 CBADLP CC(C)OC(=O)CC[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000594876075 355266061 /nfs/dbraw/zinc/26/60/61/355266061.db2.gz BYYIXDGEWMFELO-QWRGUYRKSA-N 2 2 269.345 -0.428 20 0 CBADLP CC(C)OC(=O)CC[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000594876076 355266243 /nfs/dbraw/zinc/26/62/43/355266243.db2.gz BYYIXDGEWMFELO-WDEREUQCSA-N 2 2 269.345 -0.428 20 0 CBADLP CC(C)OC(=O)CC[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000594876076 355266246 /nfs/dbraw/zinc/26/62/46/355266246.db2.gz BYYIXDGEWMFELO-WDEREUQCSA-N 2 2 269.345 -0.428 20 0 CBADLP COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000594917389 355268759 /nfs/dbraw/zinc/26/87/59/355268759.db2.gz JEMJWFXYNQCNBV-SDDRHHMPSA-N 2 2 283.372 -0.452 20 0 CBADLP [NH3+][C@H]1C[C@H]2CN(c3cc(-n4cc[nH+]c4)ncn3)CCN2C1=O ZINC000594694176 355257221 /nfs/dbraw/zinc/25/72/21/355257221.db2.gz BFGMYYMBGIGDBE-QWRGUYRKSA-N 2 2 299.338 -0.590 20 0 CBADLP COC(=O)CN(C)C(=O)CC[N@@H+]1CCn2c[nH+]cc2C1 ZINC000595496197 355289646 /nfs/dbraw/zinc/28/96/46/355289646.db2.gz YGVMXNMISKJGMD-UHFFFAOYSA-N 2 2 280.328 -0.280 20 0 CBADLP COC(=O)CN(C)C(=O)CC[N@H+]1CCn2c[nH+]cc2C1 ZINC000595496197 355289649 /nfs/dbraw/zinc/28/96/49/355289649.db2.gz YGVMXNMISKJGMD-UHFFFAOYSA-N 2 2 280.328 -0.280 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CCO[C@@H]1C(=O)OC ZINC000595660069 355299273 /nfs/dbraw/zinc/29/92/73/355299273.db2.gz RQRZLNKUNOKLNJ-MXWKQRLJSA-N 2 2 260.334 -0.781 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCO[C@@H]1C(=O)OC ZINC000595660069 355299275 /nfs/dbraw/zinc/29/92/75/355299275.db2.gz RQRZLNKUNOKLNJ-MXWKQRLJSA-N 2 2 260.334 -0.781 20 0 CBADLP COC(=O)CCN1CC[C@@H]([N@@H+]2CC[C@]3(CC[NH2+]C3)C2)C1=O ZINC000595888791 355314315 /nfs/dbraw/zinc/31/43/15/355314315.db2.gz OUBWRXREAZTIND-DOMZBBRYSA-N 2 2 295.383 -0.164 20 0 CBADLP COC(=O)CCN1CC[C@@H]([N@H+]2CC[C@]3(CC[NH2+]C3)C2)C1=O ZINC000595888791 355314318 /nfs/dbraw/zinc/31/43/18/355314318.db2.gz OUBWRXREAZTIND-DOMZBBRYSA-N 2 2 295.383 -0.164 20 0 CBADLP O=C(C[NH2+]C1(CO)CC[NH2+]CC1)NC(=O)NC1CCCC1 ZINC000595902858 355316756 /nfs/dbraw/zinc/31/67/56/355316756.db2.gz VNSVHRZURYEIMQ-UHFFFAOYSA-N 2 2 298.387 -0.541 20 0 CBADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000595905261 355317732 /nfs/dbraw/zinc/31/77/32/355317732.db2.gz AQXYFEULHMFYEO-WDEREUQCSA-N 2 2 286.376 -0.388 20 0 CBADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000595905261 355317734 /nfs/dbraw/zinc/31/77/34/355317734.db2.gz AQXYFEULHMFYEO-WDEREUQCSA-N 2 2 286.376 -0.388 20 0 CBADLP COC(=O)[C@@](C)(CCF)[NH2+]CCN1CC[NH2+]CC1 ZINC000595910691 355317807 /nfs/dbraw/zinc/31/78/07/355317807.db2.gz QRMCVZAEKFADLT-GFCCVEGCSA-N 2 2 261.341 -0.228 20 0 CBADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000595905260 355317919 /nfs/dbraw/zinc/31/79/19/355317919.db2.gz AQXYFEULHMFYEO-QWRGUYRKSA-N 2 2 286.376 -0.388 20 0 CBADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000595905260 355317921 /nfs/dbraw/zinc/31/79/21/355317921.db2.gz AQXYFEULHMFYEO-QWRGUYRKSA-N 2 2 286.376 -0.388 20 0 CBADLP CCOC(=O)C[N@@H+]1CCCN(C(=O)CC2([NH3+])CC2)CC1 ZINC000595950143 355326085 /nfs/dbraw/zinc/32/60/85/355326085.db2.gz AXHAAYPFLOTNSH-UHFFFAOYSA-N 2 2 283.372 -0.035 20 0 CBADLP CCOC(=O)C[N@H+]1CCCN(C(=O)CC2([NH3+])CC2)CC1 ZINC000595950143 355326087 /nfs/dbraw/zinc/32/60/87/355326087.db2.gz AXHAAYPFLOTNSH-UHFFFAOYSA-N 2 2 283.372 -0.035 20 0 CBADLP COC(=O)C[C@]1([NH2+]C[C@H](O)C[N@H+](C)C(C)C)CCOC1 ZINC000595442202 355287720 /nfs/dbraw/zinc/28/77/20/355287720.db2.gz QGVCDTXGHWGVNQ-GXTWGEPZSA-N 2 2 288.388 -0.001 20 0 CBADLP COC(=O)C[C@]1([NH2+]C[C@H](O)C[N@@H+](C)C(C)C)CCOC1 ZINC000595442202 355287722 /nfs/dbraw/zinc/28/77/22/355287722.db2.gz QGVCDTXGHWGVNQ-GXTWGEPZSA-N 2 2 288.388 -0.001 20 0 CBADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2CCNC2=O)CC1 ZINC000597171381 355374159 /nfs/dbraw/zinc/37/41/59/355374159.db2.gz MPXZYOSZDSMHJW-LBPRGKRZSA-N 2 2 283.372 -0.118 20 0 CBADLP COC(=O)[C@@]1(OC)CC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000599557978 355498525 /nfs/dbraw/zinc/49/85/25/355498525.db2.gz CLKLLOPMFSYZHL-GXTWGEPZSA-N 2 2 286.372 -0.295 20 0 CBADLP COC(=O)[C@@]1(OC)CC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000599557978 355498531 /nfs/dbraw/zinc/49/85/31/355498531.db2.gz CLKLLOPMFSYZHL-GXTWGEPZSA-N 2 2 286.372 -0.295 20 0 CBADLP COC(=O)[C@@]1(OC)CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000599557978 355498535 /nfs/dbraw/zinc/49/85/35/355498535.db2.gz CLKLLOPMFSYZHL-GXTWGEPZSA-N 2 2 286.372 -0.295 20 0 CBADLP COC(=O)[C@@]1(OC)CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000599557978 355498540 /nfs/dbraw/zinc/49/85/40/355498540.db2.gz CLKLLOPMFSYZHL-GXTWGEPZSA-N 2 2 286.372 -0.295 20 0 CBADLP COC(=O)[C@]1(OC)CC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000599566532 355501634 /nfs/dbraw/zinc/50/16/34/355501634.db2.gz FEWGEOOBDAICSX-AWEZNQCLSA-N 2 2 299.371 -0.976 20 0 CBADLP COC(=O)[C@]1(OC)CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000599566532 355501637 /nfs/dbraw/zinc/50/16/37/355501637.db2.gz FEWGEOOBDAICSX-AWEZNQCLSA-N 2 2 299.371 -0.976 20 0 CBADLP COc1ccc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cn1 ZINC000598684295 355450208 /nfs/dbraw/zinc/45/02/08/355450208.db2.gz VJOFKKQXVQXOFP-RYUDHWBXSA-N 2 2 276.340 -0.166 20 0 CBADLP COc1ccc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cn1 ZINC000598684295 355450213 /nfs/dbraw/zinc/45/02/13/355450213.db2.gz VJOFKKQXVQXOFP-RYUDHWBXSA-N 2 2 276.340 -0.166 20 0 CBADLP COC(=O)CCNC(=O)CC[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000599007440 355459477 /nfs/dbraw/zinc/45/94/77/355459477.db2.gz KBXAFTWCHKPCOY-WDEREUQCSA-N 2 2 271.361 -0.405 20 0 CBADLP COC(=O)CCNC(=O)CC[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000599007440 355459481 /nfs/dbraw/zinc/45/94/81/355459481.db2.gz KBXAFTWCHKPCOY-WDEREUQCSA-N 2 2 271.361 -0.405 20 0 CBADLP COc1ccncc1C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000600709593 355562444 /nfs/dbraw/zinc/56/24/44/355562444.db2.gz LGRJZHHZJHZMBS-VXGBXAGGSA-N 2 2 276.340 -0.166 20 0 CBADLP COc1ccncc1C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000600709593 355562446 /nfs/dbraw/zinc/56/24/46/355562446.db2.gz LGRJZHHZJHZMBS-VXGBXAGGSA-N 2 2 276.340 -0.166 20 0 CBADLP CNC(=O)NC(=O)CC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601335438 355588580 /nfs/dbraw/zinc/58/85/80/355588580.db2.gz UJFAWKPIMBGUIE-WDEREUQCSA-N 2 2 268.361 -0.094 20 0 CBADLP CNC(=O)NC(=O)CC[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601335438 355588585 /nfs/dbraw/zinc/58/85/85/355588585.db2.gz UJFAWKPIMBGUIE-WDEREUQCSA-N 2 2 268.361 -0.094 20 0 CBADLP CC(C)(C)CNC(=O)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000600712071 355562810 /nfs/dbraw/zinc/56/28/10/355562810.db2.gz VXZOHCJHROSKFY-MNOVXSKESA-N 2 2 282.388 -0.608 20 0 CBADLP CC(C)(C)CNC(=O)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000600712071 355562813 /nfs/dbraw/zinc/56/28/13/355562813.db2.gz VXZOHCJHROSKFY-MNOVXSKESA-N 2 2 282.388 -0.608 20 0 CBADLP CCOC(=O)C[C@H](CO)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000600741320 355564385 /nfs/dbraw/zinc/56/43/85/355564385.db2.gz FIIYJDPXGWYQLN-VXGBXAGGSA-N 2 2 274.361 -0.653 20 0 CBADLP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000600978956 355573541 /nfs/dbraw/zinc/57/35/41/355573541.db2.gz OUASCAJZOKUEAC-NEPJUHHUSA-N 2 2 255.362 -0.083 20 0 CBADLP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000600978956 355573543 /nfs/dbraw/zinc/57/35/43/355573543.db2.gz OUASCAJZOKUEAC-NEPJUHHUSA-N 2 2 255.362 -0.083 20 0 CBADLP C[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000600978956 355573545 /nfs/dbraw/zinc/57/35/45/355573545.db2.gz OUASCAJZOKUEAC-NEPJUHHUSA-N 2 2 255.362 -0.083 20 0 CBADLP C[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000600978956 355573547 /nfs/dbraw/zinc/57/35/47/355573547.db2.gz OUASCAJZOKUEAC-NEPJUHHUSA-N 2 2 255.362 -0.083 20 0 CBADLP C[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC000601004971 355576031 /nfs/dbraw/zinc/57/60/31/355576031.db2.gz HINISULXYNXNDT-CHWSQXEVSA-N 2 2 269.389 -0.004 20 0 CBADLP C[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000601004971 355576035 /nfs/dbraw/zinc/57/60/35/355576035.db2.gz HINISULXYNXNDT-CHWSQXEVSA-N 2 2 269.389 -0.004 20 0 CBADLP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)Cn1c[nH+]cc1C ZINC000602490559 355652784 /nfs/dbraw/zinc/65/27/84/355652784.db2.gz CJLRTKLPSQWZFG-NSHDSACASA-N 2 2 280.328 -0.445 20 0 CBADLP CCc1c[nH]c(CC(=O)N2CCC[NH2+]C[C@H]2C(=O)OC)[nH+]1 ZINC000602493586 355653960 /nfs/dbraw/zinc/65/39/60/355653960.db2.gz XPOXRKDMMNKDPR-NSHDSACASA-N 2 2 294.355 -0.122 20 0 CBADLP COC(=O)C12CCC(CC1)N2C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000602597287 355663815 /nfs/dbraw/zinc/66/38/15/355663815.db2.gz AKFAUJYDVUHHHK-CVZZAPKMSA-N 2 2 283.372 -0.038 20 0 CBADLP COc1c(C)[nH+]cnc1N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000601983054 355624620 /nfs/dbraw/zinc/62/46/20/355624620.db2.gz KNGFBQBQMYXHBS-VHSXEESVSA-N 2 2 277.328 -0.458 20 0 CBADLP COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000602024034 355626015 /nfs/dbraw/zinc/62/60/15/355626015.db2.gz ZLLRIYXCMZHCAA-AATLWQCWSA-N 2 2 257.334 -0.478 20 0 CBADLP COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1(C[NH+](C)C)CC1 ZINC000602124502 355631722 /nfs/dbraw/zinc/63/17/22/355631722.db2.gz GIIRPPHFLYBWAZ-NSHDSACASA-N 2 2 294.355 -0.048 20 0 CBADLP COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1(C[NH+](C)C)CC1 ZINC000602124502 355631727 /nfs/dbraw/zinc/63/17/27/355631727.db2.gz GIIRPPHFLYBWAZ-NSHDSACASA-N 2 2 294.355 -0.048 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cn[nH]n3)C2)CC1 ZINC000602196481 355639725 /nfs/dbraw/zinc/63/97/25/355639725.db2.gz UPGLGXDAZBACLM-SNVBAGLBSA-N 2 2 278.360 -0.297 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cn[nH]n3)C2)CC1 ZINC000602196481 355639731 /nfs/dbraw/zinc/63/97/31/355639731.db2.gz UPGLGXDAZBACLM-SNVBAGLBSA-N 2 2 278.360 -0.297 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cnn[nH]3)C2)CC1 ZINC000602196481 355639733 /nfs/dbraw/zinc/63/97/33/355639733.db2.gz UPGLGXDAZBACLM-SNVBAGLBSA-N 2 2 278.360 -0.297 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cnn[nH]3)C2)CC1 ZINC000602196481 355639737 /nfs/dbraw/zinc/63/97/37/355639737.db2.gz UPGLGXDAZBACLM-SNVBAGLBSA-N 2 2 278.360 -0.297 20 0 CBADLP CSC[C@@H](O)C[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000602989526 355690482 /nfs/dbraw/zinc/69/04/82/355690482.db2.gz RQUQDUIDXBDLJF-NSHDSACASA-N 2 2 275.418 -0.584 20 0 CBADLP CSC[C@@H](O)C[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000602989526 355690483 /nfs/dbraw/zinc/69/04/83/355690483.db2.gz RQUQDUIDXBDLJF-NSHDSACASA-N 2 2 275.418 -0.584 20 0 CBADLP [NH3+]CCSCc1cn(CC[NH+]2CCOCC2)nn1 ZINC000603215789 355699743 /nfs/dbraw/zinc/69/97/43/355699743.db2.gz LCDRPCXBISLDKR-UHFFFAOYSA-N 2 2 271.390 -0.198 20 0 CBADLP Cn1c[nH+]cc1CC[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000603429682 355715221 /nfs/dbraw/zinc/71/52/21/355715221.db2.gz OVOURYUTMSWZRP-NEPJUHHUSA-N 3 2 263.345 -0.794 20 0 CBADLP Cn1c[nH+]cc1CC[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000603429682 355715223 /nfs/dbraw/zinc/71/52/23/355715223.db2.gz OVOURYUTMSWZRP-NEPJUHHUSA-N 3 2 263.345 -0.794 20 0 CBADLP Cn1c[nH+]cc1CCN1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000603429682 355715224 /nfs/dbraw/zinc/71/52/24/355715224.db2.gz OVOURYUTMSWZRP-NEPJUHHUSA-N 2 2 263.345 -0.794 20 0 CBADLP Cn1cncc1CC[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000603429682 355715227 /nfs/dbraw/zinc/71/52/27/355715227.db2.gz OVOURYUTMSWZRP-NEPJUHHUSA-N 2 2 263.345 -0.794 20 0 CBADLP Cn1cncc1CC[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000603429682 355715228 /nfs/dbraw/zinc/71/52/28/355715228.db2.gz OVOURYUTMSWZRP-NEPJUHHUSA-N 2 2 263.345 -0.794 20 0 CBADLP CCOC(=O)COCC[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000602877853 355679473 /nfs/dbraw/zinc/67/94/73/355679473.db2.gz SNQXHAOWLITLMX-CQSZACIVSA-N 2 2 288.388 -0.045 20 0 CBADLP CCOC(=O)COCC[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000602877853 355679475 /nfs/dbraw/zinc/67/94/75/355679475.db2.gz SNQXHAOWLITLMX-CQSZACIVSA-N 2 2 288.388 -0.045 20 0 CBADLP C[C@H](C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000605575567 355735664 /nfs/dbraw/zinc/73/56/64/355735664.db2.gz HNROONTYVKQOMT-QCODTGAPSA-N 4 2 278.444 -0.075 20 0 CBADLP C[C@H](C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000605575567 355735669 /nfs/dbraw/zinc/73/56/69/355735669.db2.gz HNROONTYVKQOMT-QCODTGAPSA-N 4 2 278.444 -0.075 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000608008558 355754461 /nfs/dbraw/zinc/75/44/61/355754461.db2.gz PFCXLQUYRTZMML-KGLIPLIRSA-N 2 2 297.399 -0.360 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000608008558 355754466 /nfs/dbraw/zinc/75/44/66/355754466.db2.gz PFCXLQUYRTZMML-KGLIPLIRSA-N 2 2 297.399 -0.360 20 0 CBADLP c1n[nH]cc1C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000604418018 355725330 /nfs/dbraw/zinc/72/53/30/355725330.db2.gz CISXPHWOGNCRIK-CQSZACIVSA-N 2 2 279.388 -0.094 20 0 CBADLP CC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC000604749861 355728163 /nfs/dbraw/zinc/72/81/63/355728163.db2.gz DNSHRMMCGAJDGP-VXGBXAGGSA-N 2 2 255.362 -0.083 20 0 CBADLP CC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC000604749861 355728165 /nfs/dbraw/zinc/72/81/65/355728165.db2.gz DNSHRMMCGAJDGP-VXGBXAGGSA-N 2 2 255.362 -0.083 20 0 CBADLP CC[NH+]1CCO[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000604749861 355728168 /nfs/dbraw/zinc/72/81/68/355728168.db2.gz DNSHRMMCGAJDGP-VXGBXAGGSA-N 2 2 255.362 -0.083 20 0 CBADLP CC[NH+]1CCO[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000604749861 355728170 /nfs/dbraw/zinc/72/81/70/355728170.db2.gz DNSHRMMCGAJDGP-VXGBXAGGSA-N 2 2 255.362 -0.083 20 0 CBADLP COC[C@@H](OC)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000611972968 355817977 /nfs/dbraw/zinc/81/79/77/355817977.db2.gz DWONHNWZQDZWBD-CYBMUJFWSA-N 2 2 287.404 -0.210 20 0 CBADLP CN1C[C@H](C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)NC1=O ZINC000611973012 355818013 /nfs/dbraw/zinc/81/80/13/355818013.db2.gz FUVOHWPJUAPVPC-GFCCVEGCSA-N 2 2 297.403 -0.848 20 0 CBADLP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](CC)CC2)C1 ZINC000612551449 355840285 /nfs/dbraw/zinc/84/02/85/355840285.db2.gz HCQMTEWWOKPPAR-ZDUSSCGKSA-N 2 2 296.415 -0.249 20 0 CBADLP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](CC)CC2)C1 ZINC000612551449 355840286 /nfs/dbraw/zinc/84/02/86/355840286.db2.gz HCQMTEWWOKPPAR-ZDUSSCGKSA-N 2 2 296.415 -0.249 20 0 CBADLP CC[C@H](CO)[NH+]1CCN(C(=O)C2([NH+](C)C)CC2)CC1 ZINC000612677942 355846495 /nfs/dbraw/zinc/84/64/95/355846495.db2.gz DTOJVSLCFPUFFE-GFCCVEGCSA-N 2 2 269.389 -0.004 20 0 CBADLP CN1CC[N@H+](C)[C@@H](CNC(=O)N[C@@H]2CC23CC[NH2+]CC3)C1 ZINC000612972014 355858520 /nfs/dbraw/zinc/85/85/20/355858520.db2.gz RFRAAMXDXJUWQI-QWHCGFSZSA-N 2 2 295.431 -0.327 20 0 CBADLP CN1CC[N@@H+](C)[C@@H](CNC(=O)N[C@@H]2CC23CC[NH2+]CC3)C1 ZINC000612972014 355858524 /nfs/dbraw/zinc/85/85/24/355858524.db2.gz RFRAAMXDXJUWQI-QWHCGFSZSA-N 2 2 295.431 -0.327 20 0 CBADLP CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCC2(C[NH+](C)C2)C1 ZINC000614038260 355928360 /nfs/dbraw/zinc/92/83/60/355928360.db2.gz MYYGVXHPNODLTB-GFCCVEGCSA-N 2 2 267.373 -0.129 20 0 CBADLP CC[N@H+]1CCOC[C@@H]1C(=O)N1CCC2(C[NH+](C)C2)C1 ZINC000614038260 355928363 /nfs/dbraw/zinc/92/83/63/355928363.db2.gz MYYGVXHPNODLTB-GFCCVEGCSA-N 2 2 267.373 -0.129 20 0 CBADLP CN(C)[C@@H](C(=O)N[C@H](CO)C[NH+](C)C)c1c[nH+]cn1C ZINC000614847482 355989018 /nfs/dbraw/zinc/98/90/18/355989018.db2.gz MDANOEPNOSENFW-CMPLNLGQSA-N 2 2 283.376 -0.939 20 0 CBADLP CCNC(=O)C[NH+](C)C/C=C\C[N@@H+](C)CC(=O)NCC ZINC000614344704 355952739 /nfs/dbraw/zinc/95/27/39/355952739.db2.gz DTDARNBVQOCAJZ-FPLPWBNLSA-N 2 2 284.404 -0.322 20 0 CBADLP CCNC(=O)C[NH+](C)C/C=C\C[N@H+](C)CC(=O)NCC ZINC000614344704 355952742 /nfs/dbraw/zinc/95/27/42/355952742.db2.gz DTDARNBVQOCAJZ-FPLPWBNLSA-N 2 2 284.404 -0.322 20 0 CBADLP COCCOCC[NH+]1CCN(C(=O)C2([NH+](C)C)CC2)CC1 ZINC000616580077 356101391 /nfs/dbraw/zinc/10/13/91/356101391.db2.gz YTMPTGMNXNMYJS-UHFFFAOYSA-N 2 2 299.415 -0.112 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)CN2CC[NH+](C)CC2)[C@@H](C)CO1 ZINC000617733234 356152525 /nfs/dbraw/zinc/15/25/25/356152525.db2.gz OMNINHBAHFBNNK-KBPBESRZSA-N 2 2 298.431 -0.541 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)CN2CC[NH+](C)CC2)[C@@H](C)CO1 ZINC000617733234 356152527 /nfs/dbraw/zinc/15/25/27/356152527.db2.gz OMNINHBAHFBNNK-KBPBESRZSA-N 2 2 298.431 -0.541 20 0 CBADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)CN1CC[NH+](C)CC1 ZINC000617733235 356152644 /nfs/dbraw/zinc/15/26/44/356152644.db2.gz OMNINHBAHFBNNK-KGLIPLIRSA-N 2 2 298.431 -0.541 20 0 CBADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)CN1CC[NH+](C)CC1 ZINC000617733235 356152646 /nfs/dbraw/zinc/15/26/46/356152646.db2.gz OMNINHBAHFBNNK-KGLIPLIRSA-N 2 2 298.431 -0.541 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NCC[C@H](C)[NH+](C)C ZINC000617747001 356153609 /nfs/dbraw/zinc/15/36/09/356153609.db2.gz PNIXUXAZNDROGT-LBPRGKRZSA-N 2 2 286.420 -0.101 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NCC[C@H](C)[NH+](C)C ZINC000617747001 356153612 /nfs/dbraw/zinc/15/36/12/356153612.db2.gz PNIXUXAZNDROGT-LBPRGKRZSA-N 2 2 286.420 -0.101 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CCn1ccnn1 ZINC000617764781 356155550 /nfs/dbraw/zinc/15/55/50/356155550.db2.gz GDUHWXWFMCIFRD-UHFFFAOYSA-N 2 2 282.392 -0.332 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CCn1ccnn1 ZINC000617764781 356155554 /nfs/dbraw/zinc/15/55/54/356155554.db2.gz GDUHWXWFMCIFRD-UHFFFAOYSA-N 2 2 282.392 -0.332 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1CC[C@H]1C(N)=O ZINC000617764334 356155840 /nfs/dbraw/zinc/15/58/40/356155840.db2.gz RPZLSLUQNWPYMS-VXGBXAGGSA-N 2 2 284.404 -0.502 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1CC[C@H]1C(N)=O ZINC000617764334 356155843 /nfs/dbraw/zinc/15/58/43/356155843.db2.gz RPZLSLUQNWPYMS-VXGBXAGGSA-N 2 2 284.404 -0.502 20 0 CBADLP CNC(=O)C1(C(=O)NCC[N@H+](C)CCC[NH+](C)C)CC1 ZINC000617766780 356156292 /nfs/dbraw/zinc/15/62/92/356156292.db2.gz UZLNEVIBPCBPDC-UHFFFAOYSA-N 2 2 284.404 -0.488 20 0 CBADLP CNC(=O)C1(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)CC1 ZINC000617766780 356156294 /nfs/dbraw/zinc/15/62/94/356156294.db2.gz UZLNEVIBPCBPDC-UHFFFAOYSA-N 2 2 284.404 -0.488 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CCN1CCCC1=O ZINC000617766605 356156314 /nfs/dbraw/zinc/15/63/14/356156314.db2.gz QRXVHKXLQKPXOH-UHFFFAOYSA-N 2 2 298.431 -0.001 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CCN1CCCC1=O ZINC000617766605 356156318 /nfs/dbraw/zinc/15/63/18/356156318.db2.gz QRXVHKXLQKPXOH-UHFFFAOYSA-N 2 2 298.431 -0.001 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(=O)[nH]n1 ZINC000617768424 356156459 /nfs/dbraw/zinc/15/64/59/356156459.db2.gz CGUPBFNQDCPULU-UHFFFAOYSA-N 2 2 281.360 -0.205 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(=O)[nH]n1 ZINC000617768424 356156462 /nfs/dbraw/zinc/15/64/62/356156462.db2.gz CGUPBFNQDCPULU-UHFFFAOYSA-N 2 2 281.360 -0.205 20 0 CBADLP Cn1cc(CC(=O)NCC[N@H+](C)CCC[NH+](C)C)cn1 ZINC000617767014 356156572 /nfs/dbraw/zinc/15/65/72/356156572.db2.gz CNBUMIPNEDABPS-UHFFFAOYSA-N 2 2 281.404 -0.038 20 0 CBADLP Cn1cc(CC(=O)NCC[N@@H+](C)CCC[NH+](C)C)cn1 ZINC000617767014 356156575 /nfs/dbraw/zinc/15/65/75/356156575.db2.gz CNBUMIPNEDABPS-UHFFFAOYSA-N 2 2 281.404 -0.038 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cn1cncn1 ZINC000617768093 356156657 /nfs/dbraw/zinc/15/66/57/356156657.db2.gz ONWUIGBOWYQKGS-UHFFFAOYSA-N 2 2 268.365 -0.722 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cn1cncn1 ZINC000617768093 356156661 /nfs/dbraw/zinc/15/66/61/356156661.db2.gz ONWUIGBOWYQKGS-UHFFFAOYSA-N 2 2 268.365 -0.722 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CN1CCCC1=O ZINC000617768851 356156672 /nfs/dbraw/zinc/15/66/72/356156672.db2.gz XHYJAWJXXWNOEB-UHFFFAOYSA-N 2 2 284.404 -0.392 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CN1CCCC1=O ZINC000617768851 356156673 /nfs/dbraw/zinc/15/66/73/356156673.db2.gz XHYJAWJXXWNOEB-UHFFFAOYSA-N 2 2 284.404 -0.392 20 0 CBADLP Cn1nc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)ccc1=O ZINC000617768932 356156842 /nfs/dbraw/zinc/15/68/42/356156842.db2.gz ZXLVXEVPUKBAJH-UHFFFAOYSA-N 2 2 295.387 -0.606 20 0 CBADLP Cn1nc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)ccc1=O ZINC000617768932 356156846 /nfs/dbraw/zinc/15/68/46/356156846.db2.gz ZXLVXEVPUKBAJH-UHFFFAOYSA-N 2 2 295.387 -0.606 20 0 CBADLP CCN1C[C@@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)CC1=O ZINC000617768080 356157118 /nfs/dbraw/zinc/15/71/18/356157118.db2.gz OBUSQUPFLWLDNA-ZDUSSCGKSA-N 2 2 298.431 -0.146 20 0 CBADLP CCN1C[C@@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)CC1=O ZINC000617768080 356157121 /nfs/dbraw/zinc/15/71/21/356157121.db2.gz OBUSQUPFLWLDNA-ZDUSSCGKSA-N 2 2 298.431 -0.146 20 0 CBADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CC[N@H+](C)C1 ZINC000617555223 356141469 /nfs/dbraw/zinc/14/14/69/356141469.db2.gz RNBAGQBSBDGANV-RYUDHWBXSA-N 2 2 255.362 -0.130 20 0 CBADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CC[N@@H+](C)C1 ZINC000617555223 356141472 /nfs/dbraw/zinc/14/14/72/356141472.db2.gz RNBAGQBSBDGANV-RYUDHWBXSA-N 2 2 255.362 -0.130 20 0 CBADLP CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@H]1CC[NH+](C)C1 ZINC000617555223 356141475 /nfs/dbraw/zinc/14/14/75/356141475.db2.gz RNBAGQBSBDGANV-RYUDHWBXSA-N 2 2 255.362 -0.130 20 0 CBADLP CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@H]1CC[NH+](C)C1 ZINC000617555223 356141477 /nfs/dbraw/zinc/14/14/77/356141477.db2.gz RNBAGQBSBDGANV-RYUDHWBXSA-N 2 2 255.362 -0.130 20 0 CBADLP CNS(=O)(=O)CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000621263505 356261461 /nfs/dbraw/zinc/26/14/61/356261461.db2.gz VMSSCAONVVSXSW-RYUDHWBXSA-N 2 2 275.418 -0.048 20 0 CBADLP CNS(=O)(=O)CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000621263505 356261462 /nfs/dbraw/zinc/26/14/62/356261462.db2.gz VMSSCAONVVSXSW-RYUDHWBXSA-N 2 2 275.418 -0.048 20 0 CBADLP CNS(=O)(=O)CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000621263505 356261463 /nfs/dbraw/zinc/26/14/63/356261463.db2.gz VMSSCAONVVSXSW-RYUDHWBXSA-N 2 2 275.418 -0.048 20 0 CBADLP CNS(=O)(=O)CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000621263505 356261464 /nfs/dbraw/zinc/26/14/64/356261464.db2.gz VMSSCAONVVSXSW-RYUDHWBXSA-N 2 2 275.418 -0.048 20 0 CBADLP CNS(=O)(=O)CC[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000621261635 356261733 /nfs/dbraw/zinc/26/17/33/356261733.db2.gz YBPRCAKYEHCELR-GHMZBOCLSA-N 2 2 263.407 -0.050 20 0 CBADLP CNS(=O)(=O)CC[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000621261635 356261736 /nfs/dbraw/zinc/26/17/36/356261736.db2.gz YBPRCAKYEHCELR-GHMZBOCLSA-N 2 2 263.407 -0.050 20 0 CBADLP CNS(=O)(=O)CC[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000621261635 356261740 /nfs/dbraw/zinc/26/17/40/356261740.db2.gz YBPRCAKYEHCELR-GHMZBOCLSA-N 2 2 263.407 -0.050 20 0 CBADLP CNS(=O)(=O)CC[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000621261635 356261745 /nfs/dbraw/zinc/26/17/45/356261745.db2.gz YBPRCAKYEHCELR-GHMZBOCLSA-N 2 2 263.407 -0.050 20 0 CBADLP CNS(=O)(=O)CC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000621260205 356262175 /nfs/dbraw/zinc/26/21/75/356262175.db2.gz WLTLZOVKYGABRS-GFCCVEGCSA-N 2 2 291.417 -0.810 20 0 CBADLP CNS(=O)(=O)CC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000621260205 356262179 /nfs/dbraw/zinc/26/21/79/356262179.db2.gz WLTLZOVKYGABRS-GFCCVEGCSA-N 2 2 291.417 -0.810 20 0 CBADLP CC[N@H+](C)C[C@H]1CC[NH+](CCS(=O)(=O)NC)C1 ZINC000621261334 356262302 /nfs/dbraw/zinc/26/23/02/356262302.db2.gz MORKTNXWHQTEKH-LLVKDONJSA-N 2 2 263.407 -0.191 20 0 CBADLP CC[N@@H+](C)C[C@H]1CC[NH+](CCS(=O)(=O)NC)C1 ZINC000621261334 356262304 /nfs/dbraw/zinc/26/23/04/356262304.db2.gz MORKTNXWHQTEKH-LLVKDONJSA-N 2 2 263.407 -0.191 20 0 CBADLP CC[NH+](C)C[C@H]1CC[N@H+](CCS(=O)(=O)NC)C1 ZINC000621261334 356262307 /nfs/dbraw/zinc/26/23/07/356262307.db2.gz MORKTNXWHQTEKH-LLVKDONJSA-N 2 2 263.407 -0.191 20 0 CBADLP CC[NH+](C)C[C@H]1CC[N@@H+](CCS(=O)(=O)NC)C1 ZINC000621261334 356262309 /nfs/dbraw/zinc/26/23/09/356262309.db2.gz MORKTNXWHQTEKH-LLVKDONJSA-N 2 2 263.407 -0.191 20 0 CBADLP CNS(=O)(=O)CC[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000621270339 356262680 /nfs/dbraw/zinc/26/26/80/356262680.db2.gz XXZSFAKHTAZDEU-SNVBAGLBSA-N 2 2 272.374 -0.241 20 0 CBADLP CNS(=O)(=O)CC[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000621270339 356262686 /nfs/dbraw/zinc/26/26/86/356262686.db2.gz XXZSFAKHTAZDEU-SNVBAGLBSA-N 2 2 272.374 -0.241 20 0 CBADLP CNS(=O)(=O)CC[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000621286297 356265400 /nfs/dbraw/zinc/26/54/00/356265400.db2.gz FMTRNLZVPFTHGY-LLVKDONJSA-N 2 2 263.407 -0.048 20 0 CBADLP CNS(=O)(=O)CC[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000621286297 356265402 /nfs/dbraw/zinc/26/54/02/356265402.db2.gz FMTRNLZVPFTHGY-LLVKDONJSA-N 2 2 263.407 -0.048 20 0 CBADLP C[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)C[C@H]1CO ZINC000621365050 356273406 /nfs/dbraw/zinc/27/34/06/356273406.db2.gz PNVVMGDMXYMLPP-OLZOCXBDSA-N 2 2 269.389 -0.289 20 0 CBADLP C[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C[C@H]1CO ZINC000621365050 356273407 /nfs/dbraw/zinc/27/34/07/356273407.db2.gz PNVVMGDMXYMLPP-OLZOCXBDSA-N 2 2 269.389 -0.289 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)[C@H](CO)C1 ZINC000621373339 356274433 /nfs/dbraw/zinc/27/44/33/356274433.db2.gz GXIRCYCFIUMLFO-RDBSUJKOSA-N 2 2 274.405 -0.124 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)[C@H](CO)C1 ZINC000621373339 356274435 /nfs/dbraw/zinc/27/44/35/356274435.db2.gz GXIRCYCFIUMLFO-RDBSUJKOSA-N 2 2 274.405 -0.124 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](C)[C@H](CO)C1 ZINC000621373339 356274436 /nfs/dbraw/zinc/27/44/36/356274436.db2.gz GXIRCYCFIUMLFO-RDBSUJKOSA-N 2 2 274.405 -0.124 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](C)[C@H](CO)C1 ZINC000621373339 356274438 /nfs/dbraw/zinc/27/44/38/356274438.db2.gz GXIRCYCFIUMLFO-RDBSUJKOSA-N 2 2 274.405 -0.124 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621680891 356279642 /nfs/dbraw/zinc/27/96/42/356279642.db2.gz JZSTXZQDSNGDFF-GMXVVIOVSA-N 3 2 254.378 -0.395 20 0 CBADLP Cn1c(C[N@@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)cc(=O)n(C)c1=O ZINC000621779497 356284622 /nfs/dbraw/zinc/28/46/22/356284622.db2.gz FVVFRGZZBHHTPA-HZMBPMFUSA-N 2 2 278.356 -0.603 20 0 CBADLP Cn1c(C[N@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)cc(=O)n(C)c1=O ZINC000621779497 356284626 /nfs/dbraw/zinc/28/46/26/356284626.db2.gz FVVFRGZZBHHTPA-HZMBPMFUSA-N 2 2 278.356 -0.603 20 0 CBADLP [NH3+][C@@]12CCC[C@@H]1CN(C(=O)C(=O)NCCn1cc[nH+]c1)C2 ZINC000621839684 356288778 /nfs/dbraw/zinc/28/87/78/356288778.db2.gz XBUJMEASWQRVNI-BXUZGUMPSA-N 2 2 291.355 -0.661 20 0 CBADLP Cn1cc[nH+]c1CNC(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621843560 356288933 /nfs/dbraw/zinc/28/89/33/356288933.db2.gz HPQGTXKEDQLOOT-QMTHXVAHSA-N 2 2 291.355 -0.624 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)C1 ZINC000352799067 283149255 /nfs/dbraw/zinc/14/92/55/283149255.db2.gz VYFSZYYMWFTHCU-AVGNSLFASA-N 2 2 267.373 -0.130 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)C1 ZINC000352799067 283149258 /nfs/dbraw/zinc/14/92/58/283149258.db2.gz VYFSZYYMWFTHCU-AVGNSLFASA-N 2 2 267.373 -0.130 20 0 CBADLP C[NH+]1CC[C@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)[C@H]2C1 ZINC000352799067 283149259 /nfs/dbraw/zinc/14/92/59/283149259.db2.gz VYFSZYYMWFTHCU-AVGNSLFASA-N 2 2 267.373 -0.130 20 0 CBADLP C[NH+]1CC[C@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)[C@H]2C1 ZINC000352799067 283149261 /nfs/dbraw/zinc/14/92/61/283149261.db2.gz VYFSZYYMWFTHCU-AVGNSLFASA-N 2 2 267.373 -0.130 20 0 CBADLP CC(=O)N1CC[C@@H]([NH2+][C@H](C)C[C@H]2COCC[NH2+]2)C1 ZINC000622044623 356302766 /nfs/dbraw/zinc/30/27/66/356302766.db2.gz NAAYGNHFETYVEX-RTXFEEFZSA-N 2 2 255.362 -0.036 20 0 CBADLP CN(C)[C@@H](C(=O)N1CC([NH+](C)C)C1)c1c[nH+]cn1C ZINC000622470272 356321430 /nfs/dbraw/zinc/32/14/30/356321430.db2.gz NXHBHLPQMULQIM-GFCCVEGCSA-N 2 2 265.361 -0.205 20 0 CBADLP CC(C)(C(=O)NCC[NH+]1CCC(O)CC1)[NH+]1CCOCC1 ZINC000622659335 356334622 /nfs/dbraw/zinc/33/46/22/356334622.db2.gz CFMCJYSNQRQAGR-UHFFFAOYSA-N 2 2 299.415 -0.330 20 0 CBADLP CC[NH+]1CCN(CCC(=O)N[C@H]2Cc3c[nH+]cn3C2)CC1 ZINC000623265586 356358476 /nfs/dbraw/zinc/35/84/76/356358476.db2.gz JHFMHSYKPJYXCP-ZDUSSCGKSA-N 2 2 291.399 -0.048 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000623306259 356361145 /nfs/dbraw/zinc/36/11/45/356361145.db2.gz JNGAHDPZOULOBE-CMPLNLGQSA-N 2 2 264.329 -0.355 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000623306259 356361149 /nfs/dbraw/zinc/36/11/49/356361149.db2.gz JNGAHDPZOULOBE-CMPLNLGQSA-N 2 2 264.329 -0.355 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000623719418 356373050 /nfs/dbraw/zinc/37/30/50/356373050.db2.gz UFJYTKMRNVSGRF-YPMHNXCESA-N 2 2 282.388 -0.147 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000623719418 356373052 /nfs/dbraw/zinc/37/30/52/356373052.db2.gz UFJYTKMRNVSGRF-YPMHNXCESA-N 2 2 282.388 -0.147 20 0 CBADLP C[NH+]1CCOC[C@@H]1CNC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000623719418 356373055 /nfs/dbraw/zinc/37/30/55/356373055.db2.gz UFJYTKMRNVSGRF-YPMHNXCESA-N 2 2 282.388 -0.147 20 0 CBADLP C[NH+]1CCOC[C@@H]1CNC(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000623719418 356373057 /nfs/dbraw/zinc/37/30/57/356373057.db2.gz UFJYTKMRNVSGRF-YPMHNXCESA-N 2 2 282.388 -0.147 20 0 CBADLP C[C@H](CC[NH+](C)C)NC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000623720042 356373230 /nfs/dbraw/zinc/37/32/30/356373230.db2.gz SXWZOYSFKOHEJZ-VXGBXAGGSA-N 2 2 272.393 -0.044 20 0 CBADLP C[C@H](CC[NH+](C)C)NC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000623720042 356373232 /nfs/dbraw/zinc/37/32/32/356373232.db2.gz SXWZOYSFKOHEJZ-VXGBXAGGSA-N 2 2 272.393 -0.044 20 0 CBADLP Nc1nc(N2CC[NH+](Cc3ccncc3)CC2)nc(N)[nH+]1 ZINC000623803844 356377071 /nfs/dbraw/zinc/37/70/71/356377071.db2.gz UZMDFDMQDPIQCU-UHFFFAOYSA-N 2 2 286.343 -0.586 20 0 CBADLP Nc1nc(N2CCC(c3[nH]cc[nH+]3)CC2)nc(N)[nH+]1 ZINC000623911166 356382661 /nfs/dbraw/zinc/38/26/61/356382661.db2.gz QEUWVMZIJIGTSL-UHFFFAOYSA-N 2 2 260.305 -0.196 20 0 CBADLP Nc1nc(N)[nH+]c(N2CCC(c3[nH]cc[nH+]3)CC2)n1 ZINC000623911166 356382663 /nfs/dbraw/zinc/38/26/63/356382663.db2.gz QEUWVMZIJIGTSL-UHFFFAOYSA-N 2 2 260.305 -0.196 20 0 CBADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CC[NH+](CCO)CC1)CC2 ZINC000623936414 356383262 /nfs/dbraw/zinc/38/32/62/356383262.db2.gz XRFLABGXBYLUDL-ZDUSSCGKSA-N 2 2 292.383 -0.110 20 0 CBADLP C[C@H]1C[N@H+](CCCNc2nc(N)nc(N)[nH+]2)CCCO1 ZINC000624158547 356400453 /nfs/dbraw/zinc/40/04/53/356400453.db2.gz DTQBZCNHPDCDIW-VIFPVBQESA-N 2 2 281.364 -0.969 20 0 CBADLP C[C@H]1C[N@@H+](CCCNc2nc(N)nc(N)[nH+]2)CCCO1 ZINC000624158547 356400458 /nfs/dbraw/zinc/40/04/58/356400458.db2.gz DTQBZCNHPDCDIW-VIFPVBQESA-N 2 2 281.364 -0.969 20 0 CBADLP C[C@H]1CCN(c2nc(N)[nH+]c(N)n2)C[C@@H]1n1cc[nH+]c1 ZINC000624035246 356390233 /nfs/dbraw/zinc/39/02/33/356390233.db2.gz RAMKLMUCJFIGRN-IUCAKERBSA-N 2 2 274.332 -0.019 20 0 CBADLP C[C@@H]1C[NH+](CCCCNc2nc(N)nc(N)[nH+]2)C[C@@H](C)O1 ZINC000624027360 356391064 /nfs/dbraw/zinc/39/10/64/356391064.db2.gz QSVPDMSLKVJNQC-NXEZZACHSA-N 2 2 295.391 -0.580 20 0 CBADLP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2c2nc(N)nc(N)[nH+]2)C1 ZINC000624050129 356392134 /nfs/dbraw/zinc/39/21/34/356392134.db2.gz ZLKOPOHPACYNAT-DTWKUNHWSA-N 2 2 263.349 -0.383 20 0 CBADLP C[N@H+]1CC[C@@H]2[C@@H](CCCN2c2nc(N)nc(N)[nH+]2)C1 ZINC000624050129 356392139 /nfs/dbraw/zinc/39/21/39/356392139.db2.gz ZLKOPOHPACYNAT-DTWKUNHWSA-N 2 2 263.349 -0.383 20 0 CBADLP C[N@@H+]1CC[C@@H]2[C@H](CCCN2c2nc(N)nc(N)[nH+]2)C1 ZINC000624050131 356392422 /nfs/dbraw/zinc/39/24/22/356392422.db2.gz ZLKOPOHPACYNAT-RKDXNWHRSA-N 2 2 263.349 -0.383 20 0 CBADLP C[N@H+]1CC[C@@H]2[C@H](CCCN2c2nc(N)nc(N)[nH+]2)C1 ZINC000624050131 356392425 /nfs/dbraw/zinc/39/24/25/356392425.db2.gz ZLKOPOHPACYNAT-RKDXNWHRSA-N 2 2 263.349 -0.383 20 0 CBADLP Cc1[nH+]ccn1CCCN(C)c1nc(N)[nH+]c(N)n1 ZINC000624057035 356393971 /nfs/dbraw/zinc/39/39/71/356393971.db2.gz XFXZPODLOLECCY-UHFFFAOYSA-N 2 2 262.321 -0.272 20 0 CBADLP Cc1[nH+]ccn1CCCN(C)c1nc(N)nc(N)[nH+]1 ZINC000624057035 356393973 /nfs/dbraw/zinc/39/39/73/356393973.db2.gz XFXZPODLOLECCY-UHFFFAOYSA-N 2 2 262.321 -0.272 20 0 CBADLP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cn(CC(N)=O)nn2)C1 ZINC000623656766 356370047 /nfs/dbraw/zinc/37/00/47/356370047.db2.gz BJDWSYPQLKCVPH-LLVKDONJSA-N 2 2 280.376 -0.415 20 0 CBADLP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cn(CC(N)=O)nn2)C1 ZINC000623656766 356370049 /nfs/dbraw/zinc/37/00/49/356370049.db2.gz BJDWSYPQLKCVPH-LLVKDONJSA-N 2 2 280.376 -0.415 20 0 CBADLP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC[C@@H]2COCC[N@@H+]2C)C1 ZINC000624306770 356411434 /nfs/dbraw/zinc/41/14/34/356411434.db2.gz OOTFQKIJXGVYPO-FRRDWIJNSA-N 2 2 284.404 -0.044 20 0 CBADLP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC[C@@H]2COCC[N@H+]2C)C1 ZINC000624306770 356411436 /nfs/dbraw/zinc/41/14/36/356411436.db2.gz OOTFQKIJXGVYPO-FRRDWIJNSA-N 2 2 284.404 -0.044 20 0 CBADLP Nc1nc(NC[C@H]2CC[N@@H+]2Cc2ccccc2)nc(N)[nH+]1 ZINC000624411194 356421057 /nfs/dbraw/zinc/42/10/57/356421057.db2.gz YTEDWDDVHLOAOL-LLVKDONJSA-N 2 2 285.355 -0.195 20 0 CBADLP Nc1nc(NC[C@H]2CC[N@H+]2Cc2ccccc2)nc(N)[nH+]1 ZINC000624411194 356421063 /nfs/dbraw/zinc/42/10/63/356421063.db2.gz YTEDWDDVHLOAOL-LLVKDONJSA-N 2 2 285.355 -0.195 20 0 CBADLP CC[NH+]1CCC([NH2+]C2CN(S(=O)(=O)N(C)C)C2)CC1 ZINC000624279555 356409812 /nfs/dbraw/zinc/40/98/12/356409812.db2.gz WBKPLPFMURVHPG-UHFFFAOYSA-N 2 2 290.433 -0.449 20 0 CBADLP c1cn(CC[NH+]2CCN(c3nccnn3)CC2)c[nH+]1 ZINC000625642631 356483350 /nfs/dbraw/zinc/48/33/50/356483350.db2.gz SVJFVZLIPGXEJF-UHFFFAOYSA-N 2 2 259.317 -0.110 20 0 CBADLP CNC(=O)CC[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000625551102 356473620 /nfs/dbraw/zinc/47/36/20/356473620.db2.gz CGMIMTMCSNCHII-UHFFFAOYSA-N 2 2 255.362 -0.081 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000625898297 356496441 /nfs/dbraw/zinc/49/64/41/356496441.db2.gz MKVICEIDNUISMK-IUCAKERBSA-N 2 2 298.309 -0.104 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000625898297 356496442 /nfs/dbraw/zinc/49/64/42/356496442.db2.gz MKVICEIDNUISMK-IUCAKERBSA-N 2 2 298.309 -0.104 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000625898784 356496929 /nfs/dbraw/zinc/49/69/29/356496929.db2.gz BRCLRBXOIHPKSK-JGVFFNPUSA-N 2 2 284.282 -0.494 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000625898784 356496930 /nfs/dbraw/zinc/49/69/30/356496930.db2.gz BRCLRBXOIHPKSK-JGVFFNPUSA-N 2 2 284.282 -0.494 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626039815 356503581 /nfs/dbraw/zinc/50/35/81/356503581.db2.gz PEQQJJMKXMNWGI-TUAOUCFPSA-N 2 2 273.377 -0.879 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626039815 356503584 /nfs/dbraw/zinc/50/35/84/356503584.db2.gz PEQQJJMKXMNWGI-TUAOUCFPSA-N 2 2 273.377 -0.879 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626039815 356503586 /nfs/dbraw/zinc/50/35/86/356503586.db2.gz PEQQJJMKXMNWGI-TUAOUCFPSA-N 2 2 273.377 -0.879 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626039815 356503589 /nfs/dbraw/zinc/50/35/89/356503589.db2.gz PEQQJJMKXMNWGI-TUAOUCFPSA-N 2 2 273.377 -0.879 20 0 CBADLP C[NH+]1CCN(C(=O)CN2CC[NH+](CCCF)CC2)CC1 ZINC000626073156 356505298 /nfs/dbraw/zinc/50/52/98/356505298.db2.gz YXIYIKZLXHZPSC-UHFFFAOYSA-N 2 2 286.395 -0.262 20 0 CBADLP NC(=O)C[C@H]1C[N@H+](CCCn2cc[nH+]c2)CCO1 ZINC000626077802 356507174 /nfs/dbraw/zinc/50/71/74/356507174.db2.gz QUUCNUASHBDYKU-NSHDSACASA-N 2 2 252.318 -0.151 20 0 CBADLP NC(=O)C[C@H]1C[N@@H+](CCCn2cc[nH+]c2)CCO1 ZINC000626077802 356507177 /nfs/dbraw/zinc/50/71/77/356507177.db2.gz QUUCNUASHBDYKU-NSHDSACASA-N 2 2 252.318 -0.151 20 0 CBADLP COC[C@]1(C)C[N@H+](CC(=O)N2CC[NH+](C)CC2)CCO1 ZINC000626172491 356517272 /nfs/dbraw/zinc/51/72/72/356517272.db2.gz ABNZAEFRGRJTHT-AWEZNQCLSA-N 2 2 285.388 -0.502 20 0 CBADLP COC[C@]1(C)C[N@@H+](CC(=O)N2CC[NH+](C)CC2)CCO1 ZINC000626172491 356517277 /nfs/dbraw/zinc/51/72/77/356517277.db2.gz ABNZAEFRGRJTHT-AWEZNQCLSA-N 2 2 285.388 -0.502 20 0 CBADLP C[NH2+]CCOCCN(C)C(=O)NCCn1cc[nH+]c1 ZINC000626923162 356556225 /nfs/dbraw/zinc/55/62/25/356556225.db2.gz NIIVXHOVANHHQL-UHFFFAOYSA-N 2 2 269.349 -0.240 20 0 CBADLP CCN(CC[NH3+])C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000626972622 356561580 /nfs/dbraw/zinc/56/15/80/356561580.db2.gz MDPRAQKVUBYAFR-LBPRGKRZSA-N 2 2 271.409 -0.388 20 0 CBADLP CCN(CC[NH3+])C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000626971113 356561631 /nfs/dbraw/zinc/56/16/31/356561631.db2.gz YMPVISSFDAUOBG-NSHDSACASA-N 2 2 258.366 -0.303 20 0 CBADLP CCN(CC[NH3+])C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000626971113 356561633 /nfs/dbraw/zinc/56/16/33/356561633.db2.gz YMPVISSFDAUOBG-NSHDSACASA-N 2 2 258.366 -0.303 20 0 CBADLP CN(CCOCC[NH3+])C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000627040553 356569921 /nfs/dbraw/zinc/56/99/21/356569921.db2.gz NVDWQNJXQPMKKZ-JTQLQIEISA-N 2 2 281.360 -0.116 20 0 CBADLP CN(CCOCC[NH3+])C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000627040553 356569925 /nfs/dbraw/zinc/56/99/25/356569925.db2.gz NVDWQNJXQPMKKZ-JTQLQIEISA-N 2 2 281.360 -0.116 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000627067711 356572418 /nfs/dbraw/zinc/57/24/18/356572418.db2.gz DBOPIXPZNYVERV-NEPJUHHUSA-N 2 2 270.377 -0.384 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000627067711 356572420 /nfs/dbraw/zinc/57/24/20/356572420.db2.gz DBOPIXPZNYVERV-NEPJUHHUSA-N 2 2 270.377 -0.384 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000627067712 356572636 /nfs/dbraw/zinc/57/26/36/356572636.db2.gz DBOPIXPZNYVERV-NWDGAFQWSA-N 2 2 270.377 -0.384 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000627067712 356572639 /nfs/dbraw/zinc/57/26/39/356572639.db2.gz DBOPIXPZNYVERV-NWDGAFQWSA-N 2 2 270.377 -0.384 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627127142 356588095 /nfs/dbraw/zinc/58/80/95/356588095.db2.gz TXLOBVRWRHECCP-VXGBXAGGSA-N 2 2 282.388 -0.099 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627127142 356588097 /nfs/dbraw/zinc/58/80/97/356588097.db2.gz TXLOBVRWRHECCP-VXGBXAGGSA-N 2 2 282.388 -0.099 20 0 CBADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000627160087 356591009 /nfs/dbraw/zinc/59/10/09/356591009.db2.gz XEDUZUJDIZKJAK-GRYCIOLGSA-N 3 2 269.393 -0.589 20 0 CBADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000627160087 356591012 /nfs/dbraw/zinc/59/10/12/356591012.db2.gz XEDUZUJDIZKJAK-GRYCIOLGSA-N 3 2 269.393 -0.589 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000627072812 356573644 /nfs/dbraw/zinc/57/36/44/356573644.db2.gz ADXLEYJEXUJMEW-QWRGUYRKSA-N 2 2 256.350 -0.632 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000627072812 356573646 /nfs/dbraw/zinc/57/36/46/356573646.db2.gz ADXLEYJEXUJMEW-QWRGUYRKSA-N 2 2 256.350 -0.632 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N[C@H]1CCC[NH2+]CC1 ZINC000627086252 356578902 /nfs/dbraw/zinc/57/89/02/356578902.db2.gz LYHJFZIZGXOLLI-RYUDHWBXSA-N 2 2 270.377 -0.242 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N[C@H]1CCC[NH2+]CC1 ZINC000627086252 356578907 /nfs/dbraw/zinc/57/89/07/356578907.db2.gz LYHJFZIZGXOLLI-RYUDHWBXSA-N 2 2 270.377 -0.242 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)NC[C@@H]1CC[NH2+]C1 ZINC000627085179 356578933 /nfs/dbraw/zinc/57/89/33/356578933.db2.gz JINUYGODYAVSHX-MNOVXSKESA-N 2 2 256.350 -0.774 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)NC[C@@H]1CC[NH2+]C1 ZINC000627085179 356578938 /nfs/dbraw/zinc/57/89/38/356578938.db2.gz JINUYGODYAVSHX-MNOVXSKESA-N 2 2 256.350 -0.774 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)NC[C@H]1CC[NH2+]C1 ZINC000627085182 356579272 /nfs/dbraw/zinc/57/92/72/356579272.db2.gz JINUYGODYAVSHX-WDEREUQCSA-N 2 2 256.350 -0.774 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)NC[C@H]1CC[NH2+]C1 ZINC000627085182 356579276 /nfs/dbraw/zinc/57/92/76/356579276.db2.gz JINUYGODYAVSHX-WDEREUQCSA-N 2 2 256.350 -0.774 20 0 CBADLP C[NH2+]CCOCCNC(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000627174869 356594387 /nfs/dbraw/zinc/59/43/87/356594387.db2.gz UBMDGASJMFYFQM-UHFFFAOYSA-N 2 2 281.360 -0.047 20 0 CBADLP O=C(N[C@@H]1CC[NH2+]C1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000627252682 356614783 /nfs/dbraw/zinc/61/47/83/356614783.db2.gz CSGOZALVEVVKHC-VXGBXAGGSA-N 2 2 268.361 -0.536 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CC[C@H](C[NH3+])C1 ZINC000627183770 356595778 /nfs/dbraw/zinc/59/57/78/356595778.db2.gz MUBOXZKNSAHFMY-MNOVXSKESA-N 2 2 256.350 -0.693 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N1CC[C@H](C[NH3+])C1 ZINC000627183770 356595784 /nfs/dbraw/zinc/59/57/84/356595784.db2.gz MUBOXZKNSAHFMY-MNOVXSKESA-N 2 2 256.350 -0.693 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000627183282 356595853 /nfs/dbraw/zinc/59/58/53/356595853.db2.gz JJDAKWXJBAVIHY-FRRDWIJNSA-N 2 2 282.388 -0.290 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000627183282 356595857 /nfs/dbraw/zinc/59/58/57/356595857.db2.gz JJDAKWXJBAVIHY-FRRDWIJNSA-N 2 2 282.388 -0.290 20 0 CBADLP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000627183512 356596337 /nfs/dbraw/zinc/59/63/37/356596337.db2.gz LLRMYSKZCMLWRJ-WOPDTQHZSA-N 2 2 270.377 -0.304 20 0 CBADLP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NC[C@H]1COCC[N@H+]1C ZINC000627183512 356596342 /nfs/dbraw/zinc/59/63/42/356596342.db2.gz LLRMYSKZCMLWRJ-WOPDTQHZSA-N 2 2 270.377 -0.304 20 0 CBADLP CN(CC(C)(C)C[NH3+])C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000627183064 356596626 /nfs/dbraw/zinc/59/66/26/356596626.db2.gz GQPVLDATJVLSTF-LLVKDONJSA-N 2 2 272.393 -0.057 20 0 CBADLP CN(CC(C)(C)C[NH3+])C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000627183064 356596628 /nfs/dbraw/zinc/59/66/28/356596628.db2.gz GQPVLDATJVLSTF-LLVKDONJSA-N 2 2 272.393 -0.057 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)N1CC[C@H](C[NH3+])C1 ZINC000627183769 356596787 /nfs/dbraw/zinc/59/67/87/356596787.db2.gz MUBOXZKNSAHFMY-GHMZBOCLSA-N 2 2 256.350 -0.693 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)N1CC[C@H](C[NH3+])C1 ZINC000627183769 356596789 /nfs/dbraw/zinc/59/67/89/356596789.db2.gz MUBOXZKNSAHFMY-GHMZBOCLSA-N 2 2 256.350 -0.693 20 0 CBADLP CN(C(=O)NC[C@@H]1COCC[N@@H+]1C)C1CC[NH2+]CC1 ZINC000627184158 356597150 /nfs/dbraw/zinc/59/71/50/356597150.db2.gz RTFVAYXYCVNTAD-GFCCVEGCSA-N 2 2 270.377 -0.290 20 0 CBADLP CN(C(=O)NC[C@@H]1COCC[N@H+]1C)C1CC[NH2+]CC1 ZINC000627184158 356597153 /nfs/dbraw/zinc/59/71/53/356597153.db2.gz RTFVAYXYCVNTAD-GFCCVEGCSA-N 2 2 270.377 -0.290 20 0 CBADLP C[NH2+][C@H]1CCN(C(=O)NC[C@@H]2COCC[N@@H+]2C)C1 ZINC000627184069 356597614 /nfs/dbraw/zinc/59/76/14/356597614.db2.gz RGYQZSSKEYVHHV-WDEREUQCSA-N 2 2 256.350 -0.680 20 0 CBADLP C[NH2+][C@H]1CCN(C(=O)NC[C@@H]2COCC[N@H+]2C)C1 ZINC000627184069 356597617 /nfs/dbraw/zinc/59/76/17/356597617.db2.gz RGYQZSSKEYVHHV-WDEREUQCSA-N 2 2 256.350 -0.680 20 0 CBADLP CCN(CC[NH3+])C(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000627385207 356635837 /nfs/dbraw/zinc/63/58/37/356635837.db2.gz CQMPNUZBJWPPSD-SNVBAGLBSA-N 2 2 267.333 -0.805 20 0 CBADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)CC2 ZINC000627425492 356644386 /nfs/dbraw/zinc/64/43/86/356644386.db2.gz RDGFQRODSIKNEW-AVGNSLFASA-N 2 2 292.383 -0.113 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000627443151 356647883 /nfs/dbraw/zinc/64/78/83/356647883.db2.gz ARSCPSBLNZNLAW-LBPRGKRZSA-N 2 2 294.399 -0.449 20 0 CBADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000627457350 356649244 /nfs/dbraw/zinc/64/92/44/356649244.db2.gz RWKAGNHKVWUXLU-QWHCGFSZSA-N 2 2 294.399 -0.450 20 0 CBADLP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000627506224 356660966 /nfs/dbraw/zinc/66/09/66/356660966.db2.gz FNNACUPEZZCELX-GHMZBOCLSA-N 2 2 291.355 -0.406 20 0 CBADLP C[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C)[NH+]1CCN(C)CC1 ZINC000627650411 356667421 /nfs/dbraw/zinc/66/74/21/356667421.db2.gz IIAYWLUGOKRKMP-IGQOVBAYSA-N 2 2 280.416 -0.359 20 0 CBADLP C[C@@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)[C@H]1CCC(=O)N1 ZINC000628061991 356685845 /nfs/dbraw/zinc/68/58/45/356685845.db2.gz UMFHUKOJKCUVGV-CHWSQXEVSA-N 2 2 298.431 -0.099 20 0 CBADLP C[C@@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)[C@H]1CCC(=O)N1 ZINC000628061991 356685849 /nfs/dbraw/zinc/68/58/49/356685849.db2.gz UMFHUKOJKCUVGV-CHWSQXEVSA-N 2 2 298.431 -0.099 20 0 CBADLP O[C@H]1C[NH+](Cc2ccnn2-c2cc[nH+]cc2)C[C@@H]1O ZINC000628415052 356696980 /nfs/dbraw/zinc/69/69/80/356696980.db2.gz DVSBXRDZQIEMDO-STQMWFEESA-N 2 2 260.297 -0.195 20 0 CBADLP C[NH+](C)CCn1ccc(C(=O)NC[C@H]2COCC[N@@H+]2C)n1 ZINC000628913668 356737414 /nfs/dbraw/zinc/73/74/14/356737414.db2.gz URPSAHVNENFGRP-LBPRGKRZSA-N 2 2 295.387 -0.495 20 0 CBADLP C[NH+](C)CCn1ccc(C(=O)NC[C@H]2COCC[N@H+]2C)n1 ZINC000628913668 356737417 /nfs/dbraw/zinc/73/74/17/356737417.db2.gz URPSAHVNENFGRP-LBPRGKRZSA-N 2 2 295.387 -0.495 20 0 CBADLP CC[NH+]1CCN(CC(=O)NC[C@H]2COCC[N@@H+]2C)CC1 ZINC000628919744 356741460 /nfs/dbraw/zinc/74/14/60/356741460.db2.gz VIVKQVFDCLPQPC-ZDUSSCGKSA-N 2 2 284.404 -0.929 20 0 CBADLP CC[NH+]1CCN(CC(=O)NC[C@H]2COCC[N@H+]2C)CC1 ZINC000628919744 356741463 /nfs/dbraw/zinc/74/14/63/356741463.db2.gz VIVKQVFDCLPQPC-ZDUSSCGKSA-N 2 2 284.404 -0.929 20 0 CBADLP C[C@H](C[C@@H]1COCC[NH2+]1)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000629548785 356778229 /nfs/dbraw/zinc/77/82/29/356778229.db2.gz YJDWYPYQFZWULF-JHJVBQTASA-N 2 2 257.378 -0.590 20 0 CBADLP C[C@H](C[C@@H]1COCC[NH2+]1)NCC[N@H+]1CC[C@@H](O)C1 ZINC000629548785 356778234 /nfs/dbraw/zinc/77/82/34/356778234.db2.gz YJDWYPYQFZWULF-JHJVBQTASA-N 2 2 257.378 -0.590 20 0 CBADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCN1CC[C@@H](O)C1 ZINC000629548785 356778238 /nfs/dbraw/zinc/77/82/38/356778238.db2.gz YJDWYPYQFZWULF-JHJVBQTASA-N 2 2 257.378 -0.590 20 0 CBADLP CNC(=O)NC[C@H]1C[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000629554160 356778421 /nfs/dbraw/zinc/77/84/21/356778421.db2.gz BHCBWKVBEIGGIG-RYUDHWBXSA-N 2 2 298.387 -0.863 20 0 CBADLP O[C@@H]1CC[N@H+](CCN[C@@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000629544603 356778543 /nfs/dbraw/zinc/77/85/43/356778543.db2.gz JOJGZDXIFJEZNL-MCIONIFRSA-N 2 2 269.389 -0.590 20 0 CBADLP O[C@@H]1CC[N@@H+](CCN[C@@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000629544603 356778548 /nfs/dbraw/zinc/77/85/48/356778548.db2.gz JOJGZDXIFJEZNL-MCIONIFRSA-N 2 2 269.389 -0.590 20 0 CBADLP O[C@@H]1CCN(CC[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000629544603 356778551 /nfs/dbraw/zinc/77/85/51/356778551.db2.gz JOJGZDXIFJEZNL-MCIONIFRSA-N 2 2 269.389 -0.590 20 0 CBADLP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000629560365 356779471 /nfs/dbraw/zinc/77/94/71/356779471.db2.gz LUXRITSGVHPACX-GJZGRUSLSA-N 3 2 284.448 -0.331 20 0 CBADLP O[C@H]1CC[N@H+](CCN[C@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000629555931 356779683 /nfs/dbraw/zinc/77/96/83/356779683.db2.gz JOJGZDXIFJEZNL-BFHYXJOUSA-N 2 2 269.389 -0.590 20 0 CBADLP O[C@H]1CC[N@@H+](CCN[C@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000629555931 356779685 /nfs/dbraw/zinc/77/96/85/356779685.db2.gz JOJGZDXIFJEZNL-BFHYXJOUSA-N 2 2 269.389 -0.590 20 0 CBADLP O[C@H]1CCN(CC[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000629555931 356779689 /nfs/dbraw/zinc/77/96/89/356779689.db2.gz JOJGZDXIFJEZNL-BFHYXJOUSA-N 2 2 269.389 -0.590 20 0 CBADLP CNC(=O)NC[C@@H]1C[N@H+](C[C@H]2CC[NH2+]C2)CCO1 ZINC000629554737 356779744 /nfs/dbraw/zinc/77/97/44/356779744.db2.gz OTPUACXRMDTDOQ-WDEREUQCSA-N 2 2 256.350 -0.774 20 0 CBADLP CNC(=O)NC[C@@H]1C[N@@H+](C[C@H]2CC[NH2+]C2)CCO1 ZINC000629554737 356779748 /nfs/dbraw/zinc/77/97/48/356779748.db2.gz OTPUACXRMDTDOQ-WDEREUQCSA-N 2 2 256.350 -0.774 20 0 CBADLP CC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)C(=O)N1CCOCC1 ZINC000629569604 356781234 /nfs/dbraw/zinc/78/12/34/356781234.db2.gz YBQLCOJENRNFAY-KGLIPLIRSA-N 2 2 299.415 -0.330 20 0 CBADLP C[NH2+]CCOCC[N@H+](C)Cc1ncnn1CCF ZINC000629571974 356781241 /nfs/dbraw/zinc/78/12/41/356781241.db2.gz LCWXJZDSYQVGIA-UHFFFAOYSA-N 2 2 259.329 -0.085 20 0 CBADLP C[NH2+]CCOCC[N@@H+](C)Cc1ncnn1CCF ZINC000629571974 356781243 /nfs/dbraw/zinc/78/12/43/356781243.db2.gz LCWXJZDSYQVGIA-UHFFFAOYSA-N 2 2 259.329 -0.085 20 0 CBADLP C[NH2+]CCOCC[N@H+](C)Cc1nc(COC)no1 ZINC000629571717 356781051 /nfs/dbraw/zinc/78/10/51/356781051.db2.gz HVYHZWVDGRAVOG-UHFFFAOYSA-N 2 2 258.322 -0.116 20 0 CBADLP C[NH2+]CCOCC[N@@H+](C)Cc1nc(COC)no1 ZINC000629571717 356781054 /nfs/dbraw/zinc/78/10/54/356781054.db2.gz HVYHZWVDGRAVOG-UHFFFAOYSA-N 2 2 258.322 -0.116 20 0 CBADLP c1nnc2ccc(N3CC[C@H]([NH2+][C@@H]4CC[NH2+]C4)C3)nn12 ZINC000629525452 356775720 /nfs/dbraw/zinc/77/57/20/356775720.db2.gz ZGUFTLMUTZXFGV-MNOVXSKESA-N 2 2 273.344 -0.346 20 0 CBADLP C[NH2+]CCOCC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000629531267 356776638 /nfs/dbraw/zinc/77/66/38/356776638.db2.gz GBGDBDFFDYDGJO-OLZOCXBDSA-N 3 2 257.378 -0.421 20 0 CBADLP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000629815023 356798664 /nfs/dbraw/zinc/79/86/64/356798664.db2.gz LLNNCZJQEHZABB-GFCCVEGCSA-N 2 2 293.371 -0.176 20 0 CBADLP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000629815023 356798665 /nfs/dbraw/zinc/79/86/65/356798665.db2.gz LLNNCZJQEHZABB-GFCCVEGCSA-N 2 2 293.371 -0.176 20 0 CBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C[N@H+](C)C1CCC1 ZINC000629976765 356813529 /nfs/dbraw/zinc/81/35/29/356813529.db2.gz BJRPMELQKMNKAB-CQSZACIVSA-N 2 2 299.415 -0.378 20 0 CBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C[N@@H+](C)C1CCC1 ZINC000629976765 356813533 /nfs/dbraw/zinc/81/35/33/356813533.db2.gz BJRPMELQKMNKAB-CQSZACIVSA-N 2 2 299.415 -0.378 20 0 CBADLP O=C1[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)CCCN1CCO ZINC000629584308 356783608 /nfs/dbraw/zinc/78/36/08/356783608.db2.gz ONQGJDAOOSWTNL-QWHCGFSZSA-N 2 2 285.388 -0.984 20 0 CBADLP Cn1nccc1[C@H](CO)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000629584249 356783765 /nfs/dbraw/zinc/78/37/65/356783765.db2.gz NAPNRFPCSCUJSK-NEPJUHHUSA-N 2 2 268.361 -0.500 20 0 CBADLP CS(=O)(=O)NC[C@H]1COCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000629586055 356783990 /nfs/dbraw/zinc/78/39/90/356783990.db2.gz JQVXYEZXFXXNLA-NEPJUHHUSA-N 2 2 291.417 -0.764 20 0 CBADLP CS(=O)(=O)NC[C@H]1COCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000629586055 356783994 /nfs/dbraw/zinc/78/39/94/356783994.db2.gz JQVXYEZXFXXNLA-NEPJUHHUSA-N 2 2 291.417 -0.764 20 0 CBADLP CCS(=O)(=O)NCC[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629584950 356784166 /nfs/dbraw/zinc/78/41/66/356784166.db2.gz GWFJXDQIKFEQCN-TXEJJXNPSA-N 2 2 275.418 -0.143 20 0 CBADLP CCS(=O)(=O)NCC[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629584950 356784168 /nfs/dbraw/zinc/78/41/68/356784168.db2.gz GWFJXDQIKFEQCN-TXEJJXNPSA-N 2 2 275.418 -0.143 20 0 CBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000629607113 356785756 /nfs/dbraw/zinc/78/57/56/356785756.db2.gz PFHPGANQHYWOAC-BFHYXJOUSA-N 2 2 299.415 -0.345 20 0 CBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CC[NH2+]C1CC1 ZINC000629606453 356786436 /nfs/dbraw/zinc/78/64/36/356786436.db2.gz HOLKAVSXCVMFCZ-CYBMUJFWSA-N 2 2 285.388 -0.720 20 0 CBADLP C[C@H]([NH3+])CCC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000629607487 356787058 /nfs/dbraw/zinc/78/70/58/356787058.db2.gz UUHRLFJKLKJRPP-NWDGAFQWSA-N 2 2 273.377 -0.735 20 0 CBADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000629610027 356787373 /nfs/dbraw/zinc/78/73/73/356787373.db2.gz ZNORLHCQHOZXNL-KGLIPLIRSA-N 3 2 298.431 -0.628 20 0 CBADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000629610027 356787377 /nfs/dbraw/zinc/78/73/77/356787377.db2.gz ZNORLHCQHOZXNL-KGLIPLIRSA-N 3 2 298.431 -0.628 20 0 CBADLP C[C@H]1C[C@@H](C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)CC[NH2+]1 ZINC000629608621 356787435 /nfs/dbraw/zinc/78/74/35/356787435.db2.gz ZAWOTHSZJCNNIQ-IHRRRGAJSA-N 2 2 299.415 -0.474 20 0 CBADLP CC(C)[C@H]1C[NH2+]CCN1C(=O)NCC[NH+]1CCOCC1 ZINC000630999680 356872258 /nfs/dbraw/zinc/87/22/58/356872258.db2.gz BVYLSYUVQITJEW-CYBMUJFWSA-N 2 2 284.404 -0.042 20 0 CBADLP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)NCC[NH+]1CCOCC1)C2 ZINC000631002212 356872517 /nfs/dbraw/zinc/87/25/17/356872517.db2.gz WEPHIVCTNCPGNJ-GASCZTMLSA-N 2 2 296.415 -0.040 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000630398900 356843917 /nfs/dbraw/zinc/84/39/17/356843917.db2.gz KBSYAGPZIMEHSE-NEPJUHHUSA-N 2 2 281.360 -0.363 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000630398900 356843920 /nfs/dbraw/zinc/84/39/20/356843920.db2.gz KBSYAGPZIMEHSE-NEPJUHHUSA-N 2 2 281.360 -0.363 20 0 CBADLP Cc1cc(N2CCN(C(=O)N3CC[NH2+]CC3)CC2)nc[nH+]1 ZINC000630519346 356848736 /nfs/dbraw/zinc/84/87/36/356848736.db2.gz LHNUWTQAOUUINR-UHFFFAOYSA-N 2 2 290.371 -0.068 20 0 CBADLP C[N@H+](CC(=O)N1CC[NH2+]CC1)[C@@H]1CCN(C2CCC2)C1=O ZINC000631820904 356908836 /nfs/dbraw/zinc/90/88/36/356908836.db2.gz JWUUMBREOJXLDJ-CYBMUJFWSA-N 2 2 294.399 -0.497 20 0 CBADLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)[C@@H]1CCN(C2CCC2)C1=O ZINC000631820904 356908839 /nfs/dbraw/zinc/90/88/39/356908839.db2.gz JWUUMBREOJXLDJ-CYBMUJFWSA-N 2 2 294.399 -0.497 20 0 CBADLP [NH3+]CC1(O)CC[NH+](CC(=O)Nc2ccccn2)CC1 ZINC000631828297 356909621 /nfs/dbraw/zinc/90/96/21/356909621.db2.gz LDGLGRNOOQOYGQ-UHFFFAOYSA-N 2 2 264.329 -0.194 20 0 CBADLP CCN(CC(F)(F)F)C(=O)C[N@H+](C)C[C@@H](O)C[NH3+] ZINC000631826951 356909981 /nfs/dbraw/zinc/90/99/81/356909981.db2.gz AVCULZUOVBVRPU-QMMMGPOBSA-N 2 2 271.283 -0.351 20 0 CBADLP CCN(CC(F)(F)F)C(=O)C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000631826951 356909984 /nfs/dbraw/zinc/90/99/84/356909984.db2.gz AVCULZUOVBVRPU-QMMMGPOBSA-N 2 2 271.283 -0.351 20 0 CBADLP C[C@@H]1C[N@H+](CC(=O)NCC(=O)N2CCCC2)C[C@H]1C[NH3+] ZINC000631840383 356910386 /nfs/dbraw/zinc/91/03/86/356910386.db2.gz BRIGUWQJSSJPQP-VXGBXAGGSA-N 2 2 282.388 -0.748 20 0 CBADLP C[C@@H]1C[N@@H+](CC(=O)NCC(=O)N2CCCC2)C[C@H]1C[NH3+] ZINC000631840383 356910390 /nfs/dbraw/zinc/91/03/90/356910390.db2.gz BRIGUWQJSSJPQP-VXGBXAGGSA-N 2 2 282.388 -0.748 20 0 CBADLP O=C(CC[NH2+][C@]12CCC[C@@H]1C[NH2+]C2)N1CC[NH2+]CC1 ZINC000631867584 356914719 /nfs/dbraw/zinc/91/47/19/356914719.db2.gz DRDIWZIKGPTTOL-OCCSQVGLSA-N 3 2 266.389 -0.460 20 0 CBADLP Cn1c(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cc(=O)n(C)c1=O ZINC000631888741 356915891 /nfs/dbraw/zinc/91/58/91/356915891.db2.gz ZYHJPHMBMDJBAG-WCQYABFASA-N 2 2 292.383 -0.342 20 0 CBADLP Cn1c(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cc(=O)n(C)c1=O ZINC000631888741 356915892 /nfs/dbraw/zinc/91/58/92/356915892.db2.gz ZYHJPHMBMDJBAG-WCQYABFASA-N 2 2 292.383 -0.342 20 0 CBADLP C[C@H](NC(=O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)C(=O)N(C)C ZINC000631888686 356916320 /nfs/dbraw/zinc/91/63/20/356916320.db2.gz YXTPJVBYAQXCMR-RWMBFGLXSA-N 2 2 296.415 -0.347 20 0 CBADLP C[C@H](NC(=O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)C(=O)N(C)C ZINC000631888686 356916325 /nfs/dbraw/zinc/91/63/25/356916325.db2.gz YXTPJVBYAQXCMR-RWMBFGLXSA-N 2 2 296.415 -0.347 20 0 CBADLP O=C(C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)N1CCOCC1 ZINC000631884569 356916658 /nfs/dbraw/zinc/91/66/58/356916658.db2.gz LHQCVRSYIGAAQS-STQMWFEESA-N 2 2 267.373 -0.081 20 0 CBADLP O=C(C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)N1CCOCC1 ZINC000631884569 356916661 /nfs/dbraw/zinc/91/66/61/356916661.db2.gz LHQCVRSYIGAAQS-STQMWFEESA-N 2 2 267.373 -0.081 20 0 CBADLP C[C@H]1C[NH2+]CCN1S(=O)(=O)CC1([NH+](C)C)CC1 ZINC000631903101 356918776 /nfs/dbraw/zinc/91/87/76/356918776.db2.gz YKQFLEFYYZMHNN-JTQLQIEISA-N 2 2 261.391 -0.296 20 0 CBADLP C[NH+](C)C1(CS(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000631635017 356897837 /nfs/dbraw/zinc/89/78/37/356897837.db2.gz HJXQCUUPDGQISI-UHFFFAOYSA-N 2 2 261.391 -0.342 20 0 CBADLP COCC[NH+]1CCN(S(=O)(=O)CCC[NH+](C)C)CC1 ZINC000631690464 356901075 /nfs/dbraw/zinc/90/10/75/356901075.db2.gz FPGACESNPQDCJM-UHFFFAOYSA-N 2 2 293.433 -0.468 20 0 CBADLP C[NH+](C)CC1CN(S(=O)(=O)C[C@H]2C[N@H+](C)CCO2)C1 ZINC000632382838 356981231 /nfs/dbraw/zinc/98/12/31/356981231.db2.gz JWXOGZGMVRSWMQ-GFCCVEGCSA-N 2 2 291.417 -0.860 20 0 CBADLP C[NH+](C)CC1CN(S(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)C1 ZINC000632382838 356981234 /nfs/dbraw/zinc/98/12/34/356981234.db2.gz JWXOGZGMVRSWMQ-GFCCVEGCSA-N 2 2 291.417 -0.860 20 0 CBADLP CC[N@@H+]1CCCN(C(=O)C(=O)N(C)Cc2[nH]cc[nH+]2)CC1 ZINC000632387597 356981835 /nfs/dbraw/zinc/98/18/35/356981835.db2.gz HJGWHBMIEQONIH-UHFFFAOYSA-N 2 2 293.371 -0.078 20 0 CBADLP CC[N@H+]1CCCN(C(=O)C(=O)N(C)Cc2[nH]cc[nH+]2)CC1 ZINC000632387597 356981840 /nfs/dbraw/zinc/98/18/40/356981840.db2.gz HJGWHBMIEQONIH-UHFFFAOYSA-N 2 2 293.371 -0.078 20 0 CBADLP C[C@@H](CC[NH+](C)C)NS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000632031512 356945936 /nfs/dbraw/zinc/94/59/36/356945936.db2.gz KYOJCHQLPXKOIA-RYUDHWBXSA-N 2 2 293.433 -0.423 20 0 CBADLP C[C@@H](CC[NH+](C)C)NS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000632031512 356945938 /nfs/dbraw/zinc/94/59/38/356945938.db2.gz KYOJCHQLPXKOIA-RYUDHWBXSA-N 2 2 293.433 -0.423 20 0 CBADLP Cn1cc[nH+]c1CNS(=O)(=O)CCC[NH+](C)C ZINC000632189288 356958474 /nfs/dbraw/zinc/95/84/74/356958474.db2.gz COSQGFGPFKQKAS-UHFFFAOYSA-N 2 2 260.363 -0.209 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000632862776 357029253 /nfs/dbraw/zinc/02/92/53/357029253.db2.gz WIBWVGLJZBBFGR-RYUDHWBXSA-N 2 2 280.372 -0.981 20 0 CBADLP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000633103287 357045858 /nfs/dbraw/zinc/04/58/58/357045858.db2.gz PVHYHSWCKZSWJT-SECBINFHSA-N 2 2 265.317 -0.812 20 0 CBADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000633102680 357045944 /nfs/dbraw/zinc/04/59/44/357045944.db2.gz KJVMDUXRRHKQAO-SNVBAGLBSA-N 2 2 279.344 -0.292 20 0 CBADLP C[C@@H]1CN(C(=O)C(=O)N(C)Cc2[nH]cc[nH+]2)C[C@@H](C)[NH2+]1 ZINC000633107332 357047308 /nfs/dbraw/zinc/04/73/08/357047308.db2.gz ZANPELPHNSPAQQ-NXEZZACHSA-N 2 2 279.344 -0.423 20 0 CBADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000633109458 357047367 /nfs/dbraw/zinc/04/73/67/357047367.db2.gz OCGHSPODBVCAND-RKDXNWHRSA-N 2 2 283.307 -0.734 20 0 CBADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633113426 357048943 /nfs/dbraw/zinc/04/89/43/357048943.db2.gz HRELHDOJVCIYQB-AOOOYVTPSA-N 2 2 277.328 -0.669 20 0 CBADLP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CCn2c[nH+]cc2C1 ZINC000633149922 357052549 /nfs/dbraw/zinc/05/25/49/357052549.db2.gz XNGOPWSEJUSKBW-ZJUUUORDSA-N 2 2 277.328 -0.827 20 0 CBADLP CCN(C(=O)C(=O)N(C)Cc1[nH]cc[nH+]1)[C@H]1CC[N@H+](C)C1 ZINC000632659611 357014113 /nfs/dbraw/zinc/01/41/13/357014113.db2.gz ABFUJDRODDWVAE-NSHDSACASA-N 2 2 293.371 -0.079 20 0 CBADLP CCN(C(=O)C(=O)N(C)Cc1[nH]cc[nH+]1)[C@H]1CC[N@@H+](C)C1 ZINC000632659611 357014115 /nfs/dbraw/zinc/01/41/15/357014115.db2.gz ABFUJDRODDWVAE-NSHDSACASA-N 2 2 293.371 -0.079 20 0 CBADLP CC[C@H](NC(C)=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000633617987 357075653 /nfs/dbraw/zinc/07/56/53/357075653.db2.gz ODNQWMUUSMYZLX-ZDUSSCGKSA-N 2 2 286.420 -0.099 20 0 CBADLP CC[C@H](NC(C)=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000633617987 357075655 /nfs/dbraw/zinc/07/56/55/357075655.db2.gz ODNQWMUUSMYZLX-ZDUSSCGKSA-N 2 2 286.420 -0.099 20 0 CBADLP C[NH+](C)CCn1cc(C(=O)NC[C@@H]2COCC[N@@H+]2C)cn1 ZINC000633684840 357079832 /nfs/dbraw/zinc/07/98/32/357079832.db2.gz LDDJEBVZNHXZGD-CYBMUJFWSA-N 2 2 295.387 -0.495 20 0 CBADLP C[NH+](C)CCn1cc(C(=O)NC[C@@H]2COCC[N@H+]2C)cn1 ZINC000633684840 357079835 /nfs/dbraw/zinc/07/98/35/357079835.db2.gz LDDJEBVZNHXZGD-CYBMUJFWSA-N 2 2 295.387 -0.495 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000634741586 357131950 /nfs/dbraw/zinc/13/19/50/357131950.db2.gz IGQMRADHTLIQMB-BNOWGMLFSA-N 3 2 268.405 -0.277 20 0 CBADLP C[C@@H](C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)N1CC[NH2+]CC1=O ZINC000634741432 357131963 /nfs/dbraw/zinc/13/19/63/357131963.db2.gz BWWSUAICTOPTRJ-TUKIKUTGSA-N 2 2 294.399 -0.735 20 0 CBADLP C[C@@H](C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1)N1CC[NH2+]CC1=O ZINC000634765282 357134233 /nfs/dbraw/zinc/13/42/33/357134233.db2.gz OKICKYQAFZTCQT-NWDGAFQWSA-N 2 2 296.415 -0.299 20 0 CBADLP c1nc(N2CC[C@@H](N3CC[NH2+]CC3)C2)c2c([nH+]1)NCCO2 ZINC000634808713 357138025 /nfs/dbraw/zinc/13/80/25/357138025.db2.gz AAAXKADYLPQNKA-LLVKDONJSA-N 2 2 290.371 -0.235 20 0 CBADLP OCCN(CC[NH+]1CCOCC1)CC12CC(C1)C[NH2+]2 ZINC000634992512 357141714 /nfs/dbraw/zinc/14/17/14/357141714.db2.gz RKQPDCIWAHNJDI-UHFFFAOYSA-N 2 2 269.389 -0.635 20 0 CBADLP C[N@@H+]1CC[C@H](CC(=O)NCC[NH+]2CCOCC2)C1 ZINC000635071865 357145281 /nfs/dbraw/zinc/14/52/81/357145281.db2.gz AZGYVVXQCUBQQV-GFCCVEGCSA-N 2 2 255.362 -0.223 20 0 CBADLP C[N@H+]1CC[C@H](CC(=O)NCC[NH+]2CCOCC2)C1 ZINC000635071865 357145282 /nfs/dbraw/zinc/14/52/82/357145282.db2.gz AZGYVVXQCUBQQV-GFCCVEGCSA-N 2 2 255.362 -0.223 20 0 CBADLP C[C@H](C(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1)[NH+](C)C ZINC000635164829 357150471 /nfs/dbraw/zinc/15/04/71/357150471.db2.gz CPHKDGSNJTYIAT-NWDGAFQWSA-N 2 2 296.415 -0.252 20 0 CBADLP CC(C)[C@H]1CN(C(=O)CN2CC[NH2+]CC2=O)CC[N@H+]1C ZINC000634300729 357115587 /nfs/dbraw/zinc/11/55/87/357115587.db2.gz JHVVHSMXIUUARJ-GFCCVEGCSA-N 2 2 282.388 -0.783 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@]1(N)CC1(F)F ZINC000634296756 357115975 /nfs/dbraw/zinc/11/59/75/357115975.db2.gz OOXTWXNZAVMXMV-LLVKDONJSA-N 2 2 278.347 -0.277 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@]1(N)CC1(F)F ZINC000634296756 357115979 /nfs/dbraw/zinc/11/59/79/357115979.db2.gz OOXTWXNZAVMXMV-LLVKDONJSA-N 2 2 278.347 -0.277 20 0 CBADLP C[N@@H+]1CCC[C@@H]([NH2+]C[C@H](O)CC2(O)CCOCC2)C1 ZINC000634703309 357128433 /nfs/dbraw/zinc/12/84/33/357128433.db2.gz UDEQBHMXPVYDRU-CHWSQXEVSA-N 2 2 272.389 -0.037 20 0 CBADLP C[N@H+]1CCC[C@@H]([NH2+]C[C@H](O)CC2(O)CCOCC2)C1 ZINC000634703309 357128435 /nfs/dbraw/zinc/12/84/35/357128435.db2.gz UDEQBHMXPVYDRU-CHWSQXEVSA-N 2 2 272.389 -0.037 20 0 CBADLP C[NH2+]C[C@H](O)C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634719888 357129389 /nfs/dbraw/zinc/12/93/89/357129389.db2.gz AXNGGKZWSARGQH-JKSUJKDBSA-N 3 2 293.411 -0.207 20 0 CBADLP C[NH2+]C[C@H](O)C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634719888 357129391 /nfs/dbraw/zinc/12/93/91/357129391.db2.gz AXNGGKZWSARGQH-JKSUJKDBSA-N 3 2 293.411 -0.207 20 0 CBADLP C[NH2+]C[C@@H](O)C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634719885 357129470 /nfs/dbraw/zinc/12/94/70/357129470.db2.gz AXNGGKZWSARGQH-CVEARBPZSA-N 3 2 293.411 -0.207 20 0 CBADLP C[NH2+]C[C@@H](O)C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634719885 357129472 /nfs/dbraw/zinc/12/94/72/357129472.db2.gz AXNGGKZWSARGQH-CVEARBPZSA-N 3 2 293.411 -0.207 20 0 CBADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1COC[C@@H]1O ZINC000634725367 357129779 /nfs/dbraw/zinc/12/97/79/357129779.db2.gz QBEDUSPRLCJYLH-KFWWJZLASA-N 2 2 280.368 -0.171 20 0 CBADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1COC[C@@H]1O ZINC000634725367 357129782 /nfs/dbraw/zinc/12/97/82/357129782.db2.gz QBEDUSPRLCJYLH-KFWWJZLASA-N 2 2 280.368 -0.171 20 0 CBADLP CC[N@H+](CCO)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635809911 357210975 /nfs/dbraw/zinc/21/09/75/357210975.db2.gz OPOPUNMKCUWRJP-GHMZBOCLSA-N 2 2 266.345 -0.056 20 0 CBADLP CC[N@@H+](CCO)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635809911 357210976 /nfs/dbraw/zinc/21/09/76/357210976.db2.gz OPOPUNMKCUWRJP-GHMZBOCLSA-N 2 2 266.345 -0.056 20 0 CBADLP CC[N@H+](CCO)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635809911 357210977 /nfs/dbraw/zinc/21/09/77/357210977.db2.gz OPOPUNMKCUWRJP-GHMZBOCLSA-N 2 2 266.345 -0.056 20 0 CBADLP CC[N@@H+](CCO)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635809911 357210979 /nfs/dbraw/zinc/21/09/79/357210979.db2.gz OPOPUNMKCUWRJP-GHMZBOCLSA-N 2 2 266.345 -0.056 20 0 CBADLP C[C@H]1C[N@H+](C)C[C@H](C(=O)N2CC[NH+](CCO)C(C)(C)C2)O1 ZINC000635831920 357214777 /nfs/dbraw/zinc/21/47/77/357214777.db2.gz OATSCJANFFHUEX-QWHCGFSZSA-N 2 2 299.415 -0.379 20 0 CBADLP C[C@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[NH+](CCO)C(C)(C)C2)O1 ZINC000635831920 357214778 /nfs/dbraw/zinc/21/47/78/357214778.db2.gz OATSCJANFFHUEX-QWHCGFSZSA-N 2 2 299.415 -0.379 20 0 CBADLP C[C@H]1C[NH+](C)C[C@H](C(=O)N2CC[N@H+](CCO)C(C)(C)C2)O1 ZINC000635831920 357214779 /nfs/dbraw/zinc/21/47/79/357214779.db2.gz OATSCJANFFHUEX-QWHCGFSZSA-N 2 2 299.415 -0.379 20 0 CBADLP C[C@H]1C[NH+](C)C[C@H](C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)O1 ZINC000635831920 357214781 /nfs/dbraw/zinc/21/47/81/357214781.db2.gz OATSCJANFFHUEX-QWHCGFSZSA-N 2 2 299.415 -0.379 20 0 CBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000635658823 357189890 /nfs/dbraw/zinc/18/98/90/357189890.db2.gz JUHKJSWBSBCPDL-KBPBESRZSA-N 2 2 299.415 -0.520 20 0 CBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000635658823 357189893 /nfs/dbraw/zinc/18/98/93/357189893.db2.gz JUHKJSWBSBCPDL-KBPBESRZSA-N 2 2 299.415 -0.520 20 0 CBADLP C[C@H](C(=O)NCC1([NH+]2CCOCC2)CCOCC1)[NH+](C)C ZINC000636016120 357250425 /nfs/dbraw/zinc/25/04/25/357250425.db2.gz MPXQFZCRTCEIEM-CYBMUJFWSA-N 2 2 299.415 -0.066 20 0 CBADLP CN1CC[C@@](C)(C(=O)NCC[N@H+](C)CCC[NH+](C)C)C1=O ZINC000636171396 357268714 /nfs/dbraw/zinc/26/87/14/357268714.db2.gz KEGNLTCSDHPKEG-HNNXBMFYSA-N 2 2 298.431 -0.146 20 0 CBADLP CN1CC[C@@](C)(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)C1=O ZINC000636171396 357268715 /nfs/dbraw/zinc/26/87/15/357268715.db2.gz KEGNLTCSDHPKEG-HNNXBMFYSA-N 2 2 298.431 -0.146 20 0 CBADLP Cc1cn2c([nH+]1)C[C@H](C(=O)NCCN1CC[NH2+]CC1)CC2 ZINC000637811925 357369906 /nfs/dbraw/zinc/36/99/06/357369906.db2.gz SSERUTVNMRMJOL-CYBMUJFWSA-N 2 2 291.399 -0.225 20 0 CBADLP C[C@H](C(=O)NC[C@H]1CCCC[NH2+]1)N1CC[NH2+]CC1=O ZINC000637817646 357370888 /nfs/dbraw/zinc/37/08/88/357370888.db2.gz YAQGWTZSLAWWFT-GHMZBOCLSA-N 2 2 268.361 -0.935 20 0 CBADLP C[NH2+][C@H]1CCCN(C(=O)[C@H](C)N2CC[NH2+]CC2=O)C1 ZINC000637822380 357371322 /nfs/dbraw/zinc/37/13/22/357371322.db2.gz KDDLZHNPHIPUIP-QWRGUYRKSA-N 2 2 268.361 -0.983 20 0 CBADLP C[NH2+]CC1CCN(C(=O)[C@H](C)N2CC[NH2+]CC2=O)CC1 ZINC000637835855 357373992 /nfs/dbraw/zinc/37/39/92/357373992.db2.gz UNJOBVXHOLVSSB-NSHDSACASA-N 2 2 282.388 -0.735 20 0 CBADLP C[C@@H](C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1)N1CC[NH2+]CC1=O ZINC000637842128 357375373 /nfs/dbraw/zinc/37/53/73/357375373.db2.gz XIMVUNSBZOWHBG-MXWKQRLJSA-N 2 2 268.361 -0.985 20 0 CBADLP CCn1cc[nH+]c1CNC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000637187129 357329260 /nfs/dbraw/zinc/32/92/60/357329260.db2.gz LBBCPQQWKIUTIZ-NSHDSACASA-N 2 2 281.360 -0.231 20 0 CBADLP CCn1cc[nH+]c1CNC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000637187129 357329262 /nfs/dbraw/zinc/32/92/62/357329262.db2.gz LBBCPQQWKIUTIZ-NSHDSACASA-N 2 2 281.360 -0.231 20 0 CBADLP CC(C)C[C@H](C[NH3+])NC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000637843309 357376133 /nfs/dbraw/zinc/37/61/33/357376133.db2.gz CNUGOGYEMJJFGY-WDEREUQCSA-N 2 2 270.377 -0.704 20 0 CBADLP CN(CC[NH+](C)C)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000637448143 357352173 /nfs/dbraw/zinc/35/21/73/357352173.db2.gz USRCPZWDYZALBO-NSHDSACASA-N 2 2 258.366 -0.480 20 0 CBADLP CN(CC[NH+](C)C)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000637448143 357352179 /nfs/dbraw/zinc/35/21/79/357352179.db2.gz USRCPZWDYZALBO-NSHDSACASA-N 2 2 258.366 -0.480 20 0 CBADLP CN(CC[NH+](C)C)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000637448142 357352845 /nfs/dbraw/zinc/35/28/45/357352845.db2.gz USRCPZWDYZALBO-LLVKDONJSA-N 2 2 258.366 -0.480 20 0 CBADLP CN(CC[NH+](C)C)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000637448142 357352848 /nfs/dbraw/zinc/35/28/48/357352848.db2.gz USRCPZWDYZALBO-LLVKDONJSA-N 2 2 258.366 -0.480 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)NCCNc1cc[nH+]cc1 ZINC000637448626 357353098 /nfs/dbraw/zinc/35/30/98/357353098.db2.gz WFMHWXJPJJKVBX-ZDUSSCGKSA-N 2 2 293.371 -0.455 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)NCCNc1cc[nH+]cc1 ZINC000637448626 357353101 /nfs/dbraw/zinc/35/31/01/357353101.db2.gz WFMHWXJPJJKVBX-ZDUSSCGKSA-N 2 2 293.371 -0.455 20 0 CBADLP C[C@H](C(=O)NCC1([NH3+])CCCCC1)N1CC[NH2+]CC1=O ZINC000637800377 357365856 /nfs/dbraw/zinc/36/58/56/357365856.db2.gz CTLULUHVFCZYJR-LLVKDONJSA-N 2 2 282.388 -0.416 20 0 CBADLP C[C@H](C(=O)N1CCCC[C@@H]1[C@H](C)[NH3+])N1CC[NH2+]CC1=O ZINC000637808066 357367424 /nfs/dbraw/zinc/36/74/24/357367424.db2.gz UPRWDMKGWKWBCN-QJPTWQEYSA-N 2 2 282.388 -0.465 20 0 CBADLP C[C@@H](C(=O)N1CCC[C@]2(CC[NH2+]C2)C1)N1CC[NH2+]CC1=O ZINC000638236446 357441759 /nfs/dbraw/zinc/44/17/59/357441759.db2.gz YFBXFHMDRHYGLN-SWLSCSKDSA-N 2 2 294.399 -0.591 20 0 CBADLP CN(Cc1c[nH+]c(N)nc1N)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000638031130 357402441 /nfs/dbraw/zinc/40/24/41/357402441.db2.gz LXONXWUJIRRZAI-NSHDSACASA-N 2 2 262.361 -0.030 20 0 CBADLP CN(Cc1c[nH+]c(N)nc1N)[C@H]1CC[N@H+](C2CC2)C1 ZINC000638031130 357402443 /nfs/dbraw/zinc/40/24/43/357402443.db2.gz LXONXWUJIRRZAI-NSHDSACASA-N 2 2 262.361 -0.030 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@]2(C)C[C@H](OC)C[NH2+]2)CC1 ZINC000638045854 357404939 /nfs/dbraw/zinc/40/49/39/357404939.db2.gz ANXVFTVGIVIXTR-AAEUAGOBSA-N 2 2 255.362 -0.083 20 0 CBADLP C[C@H](C(=O)NCCCn1cc[nH+]c1)N1CC[NH2+]CC1=O ZINC000638047447 357404955 /nfs/dbraw/zinc/40/49/55/357404955.db2.gz IFRLEDHYVHMYJV-LLVKDONJSA-N 2 2 279.344 -0.790 20 0 CBADLP COCC[N@@H+]1CCN(Cc2c[nH+]c(N)nc2N)C[C@H]1C ZINC000638045429 357405541 /nfs/dbraw/zinc/40/55/41/357405541.db2.gz YFVVEERJFUBJSS-SNVBAGLBSA-N 2 2 280.376 -0.546 20 0 CBADLP COCC[N@H+]1CCN(Cc2c[nH+]c(N)nc2N)C[C@H]1C ZINC000638045429 357405544 /nfs/dbraw/zinc/40/55/44/357405544.db2.gz YFVVEERJFUBJSS-SNVBAGLBSA-N 2 2 280.376 -0.546 20 0 CBADLP C[C@@]1(C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C[NH2+]CCO1 ZINC000638051969 357406078 /nfs/dbraw/zinc/40/60/78/357406078.db2.gz VGUSEVCXTPXTFB-ZFWWWQNUSA-N 2 2 297.399 -0.312 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@]2(C)C[C@H](OC)C[NH2+]2)CC1 ZINC000638055138 357406301 /nfs/dbraw/zinc/40/63/01/357406301.db2.gz GKCCEYFUFOONFI-JSGCOSHPSA-N 2 2 285.388 -0.456 20 0 CBADLP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCCn2cc[nH+]c2)C1 ZINC000638051653 357406347 /nfs/dbraw/zinc/40/63/47/357406347.db2.gz NSMWAXKPEZUUOU-JQWIXIFHSA-N 2 2 252.318 -0.234 20 0 CBADLP CC(C)[C@@H](CNC(=O)[C@@]1(C)C[NH2+]CCO1)[NH+]1CCOCC1 ZINC000638060988 357407158 /nfs/dbraw/zinc/40/71/58/357407158.db2.gz WNQQAYZWUCVQLH-UKRRQHHQSA-N 2 2 299.415 -0.162 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)C2=CC[C@H]([NH3+])C2)CC1 ZINC000638068159 357408491 /nfs/dbraw/zinc/40/84/91/357408491.db2.gz BFJCFRAWENFNDK-ZDUSSCGKSA-N 2 2 280.372 -0.686 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)CCC1C[NH2+]C1 ZINC000638069943 357409748 /nfs/dbraw/zinc/40/97/48/357409748.db2.gz NUSNZNBTAIZRQA-LLVKDONJSA-N 2 2 255.362 -0.177 20 0 CBADLP C[C@@H](C(=O)NCC[N@@H+]1CCCC[C@@H]1C)N1CC[NH2+]CC1=O ZINC000638070068 357410109 /nfs/dbraw/zinc/41/01/09/357410109.db2.gz OVUZEZFLIJPPLN-STQMWFEESA-N 2 2 296.415 -0.203 20 0 CBADLP C[C@@H](C(=O)NCC[N@H+]1CCCC[C@@H]1C)N1CC[NH2+]CC1=O ZINC000638070068 357410110 /nfs/dbraw/zinc/41/01/10/357410110.db2.gz OVUZEZFLIJPPLN-STQMWFEESA-N 2 2 296.415 -0.203 20 0 CBADLP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638070835 357410133 /nfs/dbraw/zinc/41/01/33/357410133.db2.gz BUKJXUWGQIAJQB-QWHCGFSZSA-N 2 2 298.431 -0.101 20 0 CBADLP C[C@@H](C(=O)NCC[N@@H+]1CCC[C@@H](C)C1)N1CC[NH2+]CC1=O ZINC000638070216 357410186 /nfs/dbraw/zinc/41/01/86/357410186.db2.gz PFKORGRHKPMHTI-OLZOCXBDSA-N 2 2 296.415 -0.345 20 0 CBADLP C[C@@H](C(=O)NCC[N@H+]1CCC[C@@H](C)C1)N1CC[NH2+]CC1=O ZINC000638070216 357410187 /nfs/dbraw/zinc/41/01/87/357410187.db2.gz PFKORGRHKPMHTI-OLZOCXBDSA-N 2 2 296.415 -0.345 20 0 CBADLP CC[N@@H+]1CC[C@H](CNC(=O)[C@H](C)N2CC[NH2+]CC2=O)C1 ZINC000638071625 357410542 /nfs/dbraw/zinc/41/05/42/357410542.db2.gz GEUOOKBAMHTEFQ-NWDGAFQWSA-N 2 2 282.388 -0.735 20 0 CBADLP CC[N@H+]1CC[C@H](CNC(=O)[C@H](C)N2CC[NH2+]CC2=O)C1 ZINC000638071625 357410547 /nfs/dbraw/zinc/41/05/47/357410547.db2.gz GEUOOKBAMHTEFQ-NWDGAFQWSA-N 2 2 282.388 -0.735 20 0 CBADLP CC[N@@H+]1CC[C@@H](CNC(=O)[C@H](C)N2CC[NH2+]CC2=O)C1 ZINC000638071626 357410951 /nfs/dbraw/zinc/41/09/51/357410951.db2.gz GEUOOKBAMHTEFQ-RYUDHWBXSA-N 2 2 282.388 -0.735 20 0 CBADLP CC[N@H+]1CC[C@@H](CNC(=O)[C@H](C)N2CC[NH2+]CC2=O)C1 ZINC000638071626 357410955 /nfs/dbraw/zinc/41/09/55/357410955.db2.gz GEUOOKBAMHTEFQ-RYUDHWBXSA-N 2 2 282.388 -0.735 20 0 CBADLP C[C@@H](C(=O)N[C@H]1CCC[N@H+](C)C1)N1CC[NH2+]CC1=O ZINC000638080152 357412778 /nfs/dbraw/zinc/41/27/78/357412778.db2.gz ZOQHQBJRKREAPZ-QWRGUYRKSA-N 2 2 268.361 -0.983 20 0 CBADLP C[C@@H](C(=O)N[C@H]1CCC[N@@H+](C)C1)N1CC[NH2+]CC1=O ZINC000638080152 357412780 /nfs/dbraw/zinc/41/27/80/357412780.db2.gz ZOQHQBJRKREAPZ-QWRGUYRKSA-N 2 2 268.361 -0.983 20 0 CBADLP C[C@H](C(=O)NC[C@H](C1CC1)[NH+](C)C)N1CC[NH2+]CC1=O ZINC000638077583 357412868 /nfs/dbraw/zinc/41/28/68/357412868.db2.gz UJBCYTADCYMPTI-ZYHUDNBSSA-N 2 2 282.388 -0.737 20 0 CBADLP C[C@H](C(=O)NC[C@@H]1CCC[N@H+](C)C1)N1CC[NH2+]CC1=O ZINC000638085846 357413452 /nfs/dbraw/zinc/41/34/52/357413452.db2.gz NOBNGSUWMMCCIP-NEPJUHHUSA-N 2 2 282.388 -0.735 20 0 CBADLP C[C@H](C(=O)NC[C@@H]1CCC[N@@H+](C)C1)N1CC[NH2+]CC1=O ZINC000638085846 357413455 /nfs/dbraw/zinc/41/34/55/357413455.db2.gz NOBNGSUWMMCCIP-NEPJUHHUSA-N 2 2 282.388 -0.735 20 0 CBADLP C[C@@H](C(=O)NCC[N@H+](C)C1CC1)N1CC[NH2+]CC1=O ZINC000638083470 357413490 /nfs/dbraw/zinc/41/34/90/357413490.db2.gz MNUUFNHHJYEXCC-JTQLQIEISA-N 2 2 268.361 -0.983 20 0 CBADLP C[C@@H](C(=O)NCC[N@@H+](C)C1CC1)N1CC[NH2+]CC1=O ZINC000638083470 357413494 /nfs/dbraw/zinc/41/34/94/357413494.db2.gz MNUUFNHHJYEXCC-JTQLQIEISA-N 2 2 268.361 -0.983 20 0 CBADLP C[C@H](C(=O)NCC1CC[NH+](C)CC1)N1CC[NH2+]CC1=O ZINC000638084177 357413647 /nfs/dbraw/zinc/41/36/47/357413647.db2.gz DCXAYYOUAQHGNU-LLVKDONJSA-N 2 2 282.388 -0.735 20 0 CBADLP Cc1[nH+]ccn1CCNC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638090655 357414537 /nfs/dbraw/zinc/41/45/37/357414537.db2.gz JDTDXWUHMRNUAB-SNVBAGLBSA-N 2 2 279.344 -0.872 20 0 CBADLP COC[C@@]1(C(=O)NCC[N@@H+]2CCO[C@H](C)C2)CCCC[NH2+]1 ZINC000638089785 357414690 /nfs/dbraw/zinc/41/46/90/357414690.db2.gz DDTXGPVOCRKHSN-UKRRQHHQSA-N 2 2 299.415 -0.018 20 0 CBADLP COC[C@@]1(C(=O)NCC[N@H+]2CCO[C@H](C)C2)CCCC[NH2+]1 ZINC000638089785 357414691 /nfs/dbraw/zinc/41/46/91/357414691.db2.gz DDTXGPVOCRKHSN-UKRRQHHQSA-N 2 2 299.415 -0.018 20 0 CBADLP CC[C@H](C)[N@H+](C)CCNC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638096348 357415449 /nfs/dbraw/zinc/41/54/49/357415449.db2.gz HSBIETQXGVTTQQ-RYUDHWBXSA-N 2 2 284.404 -0.347 20 0 CBADLP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638096348 357415452 /nfs/dbraw/zinc/41/54/52/357415452.db2.gz HSBIETQXGVTTQQ-RYUDHWBXSA-N 2 2 284.404 -0.347 20 0 CBADLP CC[N@H+](CCNC(=O)[C@H](C)N1CC[NH2+]CC1=O)C1CC1 ZINC000638097277 357415759 /nfs/dbraw/zinc/41/57/59/357415759.db2.gz SQYVZZILHGUMRJ-NSHDSACASA-N 2 2 282.388 -0.593 20 0 CBADLP CC[N@@H+](CCNC(=O)[C@H](C)N1CC[NH2+]CC1=O)C1CC1 ZINC000638097277 357415763 /nfs/dbraw/zinc/41/57/63/357415763.db2.gz SQYVZZILHGUMRJ-NSHDSACASA-N 2 2 282.388 -0.593 20 0 CBADLP C[C@@H](C(=O)N1CCC[C@@H]([NH+](C)C)C1)N1CC[NH2+]CC1=O ZINC000638095627 357416104 /nfs/dbraw/zinc/41/61/04/357416104.db2.gz AABIKDDAAYDQMJ-NWDGAFQWSA-N 2 2 282.388 -0.641 20 0 CBADLP C[C@@H](NC(=O)[C@H](C)N1CC[NH2+]CC1=O)C1CC[NH+](C)CC1 ZINC000638092539 357416203 /nfs/dbraw/zinc/41/62/03/357416203.db2.gz YEGSGIURUZAAFB-NEPJUHHUSA-N 2 2 296.415 -0.347 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)c1cnc(C[NH3+])nc1 ZINC000638099892 357416939 /nfs/dbraw/zinc/41/69/39/357416939.db2.gz WGULYNSLNROVFI-JTQLQIEISA-N 2 2 279.344 -0.614 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)c1cnc(C[NH3+])nc1 ZINC000638099892 357416942 /nfs/dbraw/zinc/41/69/42/357416942.db2.gz WGULYNSLNROVFI-JTQLQIEISA-N 2 2 279.344 -0.614 20 0 CBADLP COC[C@]1(C(=O)NCC[N@@H+]2CCOC[C@H]2C)CCCC[NH2+]1 ZINC000638098835 357417122 /nfs/dbraw/zinc/41/71/22/357417122.db2.gz PQLMCCISFXSTCG-HIFRSBDPSA-N 2 2 299.415 -0.018 20 0 CBADLP COC[C@]1(C(=O)NCC[N@H+]2CCOC[C@H]2C)CCCC[NH2+]1 ZINC000638098835 357417126 /nfs/dbraw/zinc/41/71/26/357417126.db2.gz PQLMCCISFXSTCG-HIFRSBDPSA-N 2 2 299.415 -0.018 20 0 CBADLP C[C@@H](C(=O)NCC[N@H+](C)C1CCCC1)N1CC[NH2+]CC1=O ZINC000638100904 357417465 /nfs/dbraw/zinc/41/74/65/357417465.db2.gz NMRDOGLWCPTXME-LBPRGKRZSA-N 2 2 296.415 -0.203 20 0 CBADLP C[C@@H](C(=O)NCC[N@@H+](C)C1CCCC1)N1CC[NH2+]CC1=O ZINC000638100904 357417469 /nfs/dbraw/zinc/41/74/69/357417469.db2.gz NMRDOGLWCPTXME-LBPRGKRZSA-N 2 2 296.415 -0.203 20 0 CBADLP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638108225 357419471 /nfs/dbraw/zinc/41/94/71/357419471.db2.gz KSCZCDJNDSGTRL-STQMWFEESA-N 2 2 296.415 -0.251 20 0 CBADLP CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638108225 357419475 /nfs/dbraw/zinc/41/94/75/357419475.db2.gz KSCZCDJNDSGTRL-STQMWFEESA-N 2 2 296.415 -0.251 20 0 CBADLP C[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1)N1CC[NH2+]CC1=O ZINC000638113455 357420597 /nfs/dbraw/zinc/42/05/97/357420597.db2.gz BUWYPVQTYFZMDY-UTUOFQBUSA-N 2 2 282.388 -0.594 20 0 CBADLP C[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1)N1CC[NH2+]CC1=O ZINC000638113455 357420600 /nfs/dbraw/zinc/42/06/00/357420600.db2.gz BUWYPVQTYFZMDY-UTUOFQBUSA-N 2 2 282.388 -0.594 20 0 CBADLP CC[C@H](C[NH+]1CCCC1)NC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638118016 357420867 /nfs/dbraw/zinc/42/08/67/357420867.db2.gz ZPRSOENVJDLGOF-QWHCGFSZSA-N 2 2 296.415 -0.203 20 0 CBADLP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCCc2[nH]cc[nH+]2)C1 ZINC000638111020 357421059 /nfs/dbraw/zinc/42/10/59/357421059.db2.gz BDWGCGFZJBETAV-JOYOIKCWSA-N 2 2 252.318 -0.165 20 0 CBADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@]2(N)CC2(F)F)CC1 ZINC000638129052 357423334 /nfs/dbraw/zinc/42/33/34/357423334.db2.gz RUMWSNLNJGONQY-LBPRGKRZSA-N 2 2 290.358 -0.135 20 0 CBADLP C[C@@H](C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C)N1CC[NH2+]CC1=O ZINC000638133990 357423750 /nfs/dbraw/zinc/42/37/50/357423750.db2.gz KBBKMSIHIGDMOC-NTZNESFSSA-N 2 2 294.399 -0.594 20 0 CBADLP C[C@@H](C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C)N1CC[NH2+]CC1=O ZINC000638133990 357423754 /nfs/dbraw/zinc/42/37/54/357423754.db2.gz KBBKMSIHIGDMOC-NTZNESFSSA-N 2 2 294.399 -0.594 20 0 CBADLP C[C@@H](CNC(=O)C1=CC[C@H]([NH3+])C1)[NH+]1CCN(C)CC1 ZINC000638139958 357424824 /nfs/dbraw/zinc/42/48/24/357424824.db2.gz IJJLOJAOBHOWJE-AAEUAGOBSA-N 2 2 266.389 -0.214 20 0 CBADLP CCN(C(=O)[C@H](C)N1CC[NH2+]CC1=O)[C@@H]1CCC[NH2+]CC1 ZINC000638179067 357431945 /nfs/dbraw/zinc/43/19/45/357431945.db2.gz FAQBYDKTCFPFIP-QWHCGFSZSA-N 2 2 296.415 -0.203 20 0 CBADLP C[C@H](C(=O)Nc1ccc(C[NH3+])cc1)N1CC[NH2+]CC1=O ZINC000638174623 357432540 /nfs/dbraw/zinc/43/25/40/357432540.db2.gz RGGKYODWADOIOA-SNVBAGLBSA-N 2 2 276.340 -0.096 20 0 CBADLP C[C@@H](C(=O)N1CC[NH2+][C@@H](C)[C@H]1C)N1CC[NH2+]CC1=O ZINC000638205587 357435533 /nfs/dbraw/zinc/43/55/33/357435533.db2.gz IHIZOAKFTZSXJY-AXFHLTTASA-N 2 2 268.361 -0.985 20 0 CBADLP CC[NH2+]CC1CCN(C(=O)[C@H](C)N2CC[NH2+]CC2=O)CC1 ZINC000637862508 357378631 /nfs/dbraw/zinc/37/86/31/357378631.db2.gz SLOLBEXUQYLCIK-LBPRGKRZSA-N 2 2 296.415 -0.345 20 0 CBADLP C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000637861550 357378649 /nfs/dbraw/zinc/37/86/49/357378649.db2.gz GQPIWRAWBULJIE-MNOVXSKESA-N 2 2 268.361 -0.983 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000637864111 357378708 /nfs/dbraw/zinc/37/87/08/357378708.db2.gz MKTQRZBARVFNOY-LLVKDONJSA-N 3 2 251.334 -0.707 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000637864111 357378710 /nfs/dbraw/zinc/37/87/10/357378710.db2.gz MKTQRZBARVFNOY-LLVKDONJSA-N 3 2 251.334 -0.707 20 0 CBADLP CCCC[C@H](C[NH3+])NC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000637868131 357380386 /nfs/dbraw/zinc/38/03/86/357380386.db2.gz ZRVAVTLMUFDBHN-WDEREUQCSA-N 2 2 270.377 -0.560 20 0 CBADLP CN1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@H](C[NH3+])C1 ZINC000637868086 357380498 /nfs/dbraw/zinc/38/04/98/357380498.db2.gz YRIBCINCYKJMTJ-GMTAPVOTSA-N 2 2 263.345 -0.386 20 0 CBADLP CN1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@@H](C[NH3+])C1 ZINC000637868087 357380512 /nfs/dbraw/zinc/38/05/12/357380512.db2.gz YRIBCINCYKJMTJ-HBNTYKKESA-N 2 2 263.345 -0.386 20 0 CBADLP CCn1ncnc1C[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000638571902 357495884 /nfs/dbraw/zinc/49/58/84/357495884.db2.gz QUVLIAFOEJUZGS-GFCCVEGCSA-N 2 2 294.403 -0.025 20 0 CBADLP CCn1ncnc1C[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000638571902 357495886 /nfs/dbraw/zinc/49/58/86/357495886.db2.gz QUVLIAFOEJUZGS-GFCCVEGCSA-N 2 2 294.403 -0.025 20 0 CBADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638576090 357496591 /nfs/dbraw/zinc/49/65/91/357496591.db2.gz MPCYMULYKJCROS-OUAUKWLOSA-N 2 2 268.361 -0.937 20 0 CBADLP CO[C@@]1(C[NH2+]C[C@H]2C[N@H+](C)CCN2C)CCOC1 ZINC000638596924 357500210 /nfs/dbraw/zinc/50/02/10/357500210.db2.gz TWXOLEKVXLFBRI-QWHCGFSZSA-N 2 2 257.378 -0.373 20 0 CBADLP CO[C@@]1(C[NH2+]C[C@H]2C[N@@H+](C)CCN2C)CCOC1 ZINC000638596924 357500216 /nfs/dbraw/zinc/50/02/16/357500216.db2.gz TWXOLEKVXLFBRI-QWHCGFSZSA-N 2 2 257.378 -0.373 20 0 CBADLP C[NH2+]CCOCCN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC000638595119 357500530 /nfs/dbraw/zinc/50/05/30/357500530.db2.gz XJZBCMRNVYYGAE-UHFFFAOYSA-N 2 2 254.334 -0.045 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000638608886 357501081 /nfs/dbraw/zinc/50/10/81/357501081.db2.gz CWHMHJMHLRWCEA-GVXVVHGQSA-N 2 2 253.346 -0.567 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000638608886 357501085 /nfs/dbraw/zinc/50/10/85/357501085.db2.gz CWHMHJMHLRWCEA-GVXVVHGQSA-N 2 2 253.346 -0.567 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000638610872 357502613 /nfs/dbraw/zinc/50/26/13/357502613.db2.gz LOJHGKBFPYOTFH-NWDGAFQWSA-N 2 2 271.361 -0.798 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000638610872 357502617 /nfs/dbraw/zinc/50/26/17/357502617.db2.gz LOJHGKBFPYOTFH-NWDGAFQWSA-N 2 2 271.361 -0.798 20 0 CBADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000638609652 357502736 /nfs/dbraw/zinc/50/27/36/357502736.db2.gz GJLBVCXBFOWLSP-WOPDTQHZSA-N 2 2 255.362 -0.179 20 0 CBADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000638609652 357502738 /nfs/dbraw/zinc/50/27/38/357502738.db2.gz GJLBVCXBFOWLSP-WOPDTQHZSA-N 2 2 255.362 -0.179 20 0 CBADLP C[C@@H](CC(=O)NC[C@@H]1COCC[NH2+]1)n1cc[nH+]c1 ZINC000638613765 357506010 /nfs/dbraw/zinc/50/60/10/357506010.db2.gz LPQYGQOCRFWEDD-WDEREUQCSA-N 2 2 252.318 -0.061 20 0 CBADLP C[C@H](CCC[NH3+])NC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638252073 357444370 /nfs/dbraw/zinc/44/43/70/357444370.db2.gz OLSHUEASLCIMHN-NXEZZACHSA-N 2 2 256.350 -0.950 20 0 CBADLP C[C@@H](C(=O)NCCC[C@@H]1CCC[NH2+]1)N1CC[NH2+]CC1=O ZINC000638261737 357444815 /nfs/dbraw/zinc/44/48/15/357444815.db2.gz JEBCAFXGXNHPPG-RYUDHWBXSA-N 2 2 282.388 -0.545 20 0 CBADLP C[C@H](C(=O)N(C)C1(C[NH3+])CCC1)N1CC[NH2+]CC1=O ZINC000638262267 357445002 /nfs/dbraw/zinc/44/50/02/357445002.db2.gz MIAYUBGTBAKYDC-SNVBAGLBSA-N 2 2 268.361 -0.854 20 0 CBADLP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000638270921 357446740 /nfs/dbraw/zinc/44/67/40/357446740.db2.gz KCYXDTSNPZWGSH-KGLIPLIRSA-N 2 2 290.367 -0.158 20 0 CBADLP CO[C@@H]1C[NH2+][C@](C)(C(=O)N(C)CC[NH+]2CCOCC2)C1 ZINC000638275731 357447824 /nfs/dbraw/zinc/44/78/24/357447824.db2.gz NRLYDEHYSOIENT-JSGCOSHPSA-N 2 2 285.388 -0.456 20 0 CBADLP CN(CCC[NH+]1CCN(C)CC1)C(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638277514 357449261 /nfs/dbraw/zinc/44/92/61/357449261.db2.gz BKVHQKNMMOMJPF-OAHLLOKOSA-N 2 2 298.431 -0.539 20 0 CBADLP C[C@H](C(=O)N1CC[NH+]2CCC1CC2)N1CC[NH2+]CC1=O ZINC000638278517 357449467 /nfs/dbraw/zinc/44/94/67/357449467.db2.gz CUMMPCNEMVGCQH-LLVKDONJSA-N 2 2 280.372 -0.887 20 0 CBADLP C[C@H](C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C)N1CC[NH2+]CC1=O ZINC000638286821 357452161 /nfs/dbraw/zinc/45/21/61/357452161.db2.gz RJPPLEZGRVNJNQ-UPJWGTAASA-N 2 2 296.415 -0.395 20 0 CBADLP C[C@H](C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C)N1CC[NH2+]CC1=O ZINC000638286821 357452164 /nfs/dbraw/zinc/45/21/64/357452164.db2.gz RJPPLEZGRVNJNQ-UPJWGTAASA-N 2 2 296.415 -0.395 20 0 CBADLP C[C@H](C(=O)N(C)CCCn1cc[nH+]c1)N1CC[NH2+]CC1=O ZINC000638299717 357452776 /nfs/dbraw/zinc/45/27/76/357452776.db2.gz DFWRJAHOLWDZOV-GFCCVEGCSA-N 2 2 293.371 -0.448 20 0 CBADLP CCN(CCC[NH+](C)C)C(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638291495 357453404 /nfs/dbraw/zinc/45/34/04/357453404.db2.gz QEBSLUSCJCEDOT-LBPRGKRZSA-N 2 2 284.404 -0.393 20 0 CBADLP C[C@H](C(=O)N(C)CC[N@H+](C)C1CC1)N1CC[NH2+]CC1=O ZINC000638304529 357453699 /nfs/dbraw/zinc/45/36/99/357453699.db2.gz QZCYLOGGYFQRJQ-LLVKDONJSA-N 2 2 282.388 -0.641 20 0 CBADLP C[C@H](C(=O)N(C)CC[N@@H+](C)C1CC1)N1CC[NH2+]CC1=O ZINC000638304529 357453706 /nfs/dbraw/zinc/45/37/06/357453706.db2.gz QZCYLOGGYFQRJQ-LLVKDONJSA-N 2 2 282.388 -0.641 20 0 CBADLP C[C@@H](C(=O)N(C)CC[N@H+](C)C1CC1)N1CC[NH2+]CC1=O ZINC000638304530 357454279 /nfs/dbraw/zinc/45/42/79/357454279.db2.gz QZCYLOGGYFQRJQ-NSHDSACASA-N 2 2 282.388 -0.641 20 0 CBADLP C[C@@H](C(=O)N(C)CC[N@@H+](C)C1CC1)N1CC[NH2+]CC1=O ZINC000638304530 357454282 /nfs/dbraw/zinc/45/42/82/357454282.db2.gz QZCYLOGGYFQRJQ-NSHDSACASA-N 2 2 282.388 -0.641 20 0 CBADLP C[C@H](C(=O)N[C@@H](C[NH3+])C(C)(C)C)N1CC[NH2+]CC1=O ZINC000638332636 357457826 /nfs/dbraw/zinc/45/78/26/357457826.db2.gz JHALVRZJJGFXEL-ZJUUUORDSA-N 2 2 270.377 -0.704 20 0 CBADLP C[C@@H](C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1)N1CC[NH2+]CC1=O ZINC000638339133 357460354 /nfs/dbraw/zinc/46/03/54/357460354.db2.gz CWYLDSQOFZHPEL-GRYCIOLGSA-N 2 2 282.388 -0.750 20 0 CBADLP C[C@H](C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1)N1CC[NH2+]CC1=O ZINC000638339135 357460891 /nfs/dbraw/zinc/46/08/91/357460891.db2.gz CWYLDSQOFZHPEL-IJLUTSLNSA-N 2 2 282.388 -0.750 20 0 CBADLP C[C@H](C(=O)N1CCC(CC[NH3+])CC1)N1CC[NH2+]CC1=O ZINC000638392446 357466763 /nfs/dbraw/zinc/46/67/63/357466763.db2.gz FEQNSZWTMYPBMT-LLVKDONJSA-N 2 2 282.388 -0.606 20 0 CBADLP C[NH+](C)[C@H](CNCc1c[nH+]c(N)nc1N)C1CC1 ZINC000638392063 357466833 /nfs/dbraw/zinc/46/68/33/357466833.db2.gz WSXUDOVPAAKRQT-SNVBAGLBSA-N 2 2 250.350 -0.268 20 0 CBADLP C[C@@H](CNC(=O)[C@]1(C)C[NH2+]CCO1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000638395920 357466945 /nfs/dbraw/zinc/46/69/45/357466945.db2.gz FWHAQFVIGMVWPW-XPCVCDNBSA-N 2 2 299.415 -0.021 20 0 CBADLP C[C@@H](CNC(=O)[C@]1(C)C[NH2+]CCO1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000638395920 357466949 /nfs/dbraw/zinc/46/69/49/357466949.db2.gz FWHAQFVIGMVWPW-XPCVCDNBSA-N 2 2 299.415 -0.021 20 0 CBADLP C[C@@H](C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)N1CC[NH2+]CC1=O ZINC000638395748 357467381 /nfs/dbraw/zinc/46/73/81/357467381.db2.gz XTMGNCBTJSDUHF-SDDRHHMPSA-N 2 2 282.388 -0.737 20 0 CBADLP COCCOCC[NH+]1CCN(C(=O)CCC2C[NH2+]C2)CC1 ZINC000638398130 357468163 /nfs/dbraw/zinc/46/81/63/357468163.db2.gz SCEOCBCXQWPDQT-UHFFFAOYSA-N 2 2 299.415 -0.207 20 0 CBADLP CC[NH2+][C@@H](C)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000638408373 357470743 /nfs/dbraw/zinc/47/07/43/357470743.db2.gz GTDFZGRNUSZMAG-LBPRGKRZSA-N 3 2 258.410 -0.016 20 0 CBADLP CC[NH2+][C@@H](C)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000638408373 357470745 /nfs/dbraw/zinc/47/07/45/357470745.db2.gz GTDFZGRNUSZMAG-LBPRGKRZSA-N 3 2 258.410 -0.016 20 0 CBADLP C[C@H](NC(=O)CN1CC[NH2+]CC1)c1[nH+]ccn1C ZINC000638429621 357475245 /nfs/dbraw/zinc/47/52/45/357475245.db2.gz LOVLSTDFOKQYGC-JTQLQIEISA-N 2 2 251.334 -0.498 20 0 CBADLP [NH3+][C@H]1CC=C(C(=O)NC[C@@H]2CN3CC[N@@H+]2CCC3)C1 ZINC000638427586 357475869 /nfs/dbraw/zinc/47/58/69/357475869.db2.gz VFWQMAIGGJDWOD-QWHCGFSZSA-N 2 2 264.373 -0.460 20 0 CBADLP [NH3+][C@H]1CC=C(C(=O)NC[C@@H]2CN3CC[N@H+]2CCC3)C1 ZINC000638427586 357475872 /nfs/dbraw/zinc/47/58/72/357475872.db2.gz VFWQMAIGGJDWOD-QWHCGFSZSA-N 2 2 264.373 -0.460 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCCNC(=O)C2)CC1 ZINC000638440981 357477427 /nfs/dbraw/zinc/47/74/27/357477427.db2.gz YQRIHWWTQQYAAG-LLVKDONJSA-N 2 2 268.361 -0.981 20 0 CBADLP CO[C@H](C[NH2+]CC(=O)N1CC[NH+](C)CC1)[C@@H]1CCOC1 ZINC000638440998 357477549 /nfs/dbraw/zinc/47/75/49/357477549.db2.gz ZLHBEDUXSQWSNJ-CHWSQXEVSA-N 2 2 285.388 -0.599 20 0 CBADLP CC[NH2+][C@@H](C)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000638446309 357478484 /nfs/dbraw/zinc/47/84/84/357478484.db2.gz NPGJSQCHPLSDKU-NWDGAFQWSA-N 2 2 273.377 -0.864 20 0 CBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C1([NH3+])CCCC1 ZINC000638446776 357479283 /nfs/dbraw/zinc/47/92/83/357479283.db2.gz SDJWYEZRVBKPIZ-LBPRGKRZSA-N 2 2 285.388 -0.591 20 0 CBADLP CC[C@@]1(C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)CCC[NH2+]1 ZINC000638446873 357480309 /nfs/dbraw/zinc/48/03/09/357480309.db2.gz VCLUXDYGLJVIDC-HIFRSBDPSA-N 2 2 299.415 -0.330 20 0 CBADLP Cn1ncnc1C[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000638549682 357494775 /nfs/dbraw/zinc/49/47/75/357494775.db2.gz IBVGNEXVINFRNB-UHFFFAOYSA-N 2 2 266.349 -0.931 20 0 CBADLP CN(C)c1[nH+]cc(CN2CC[N@H+](C)C[C@H]2CO)n1C ZINC000639333790 357568205 /nfs/dbraw/zinc/56/82/05/357568205.db2.gz LDSPSJZTFTWDIA-LBPRGKRZSA-N 2 2 267.377 -0.406 20 0 CBADLP CN(C)c1[nH+]cc(CN2CC[N@@H+](C)C[C@H]2CO)n1C ZINC000639333790 357568209 /nfs/dbraw/zinc/56/82/09/357568209.db2.gz LDSPSJZTFTWDIA-LBPRGKRZSA-N 2 2 267.377 -0.406 20 0 CBADLP CO[C@H](C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)[C@H]1CCOC1 ZINC000639350486 357568807 /nfs/dbraw/zinc/56/88/07/357568807.db2.gz ZLSHQUVUSMDFHV-MELADBBJSA-N 2 2 299.415 -0.033 20 0 CBADLP CO[C@H](C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)[C@H]1CCOC1 ZINC000639350486 357568809 /nfs/dbraw/zinc/56/88/09/357568809.db2.gz ZLSHQUVUSMDFHV-MELADBBJSA-N 2 2 299.415 -0.033 20 0 CBADLP CN(CCOCC[NH3+])C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000638672752 357518726 /nfs/dbraw/zinc/51/87/26/357518726.db2.gz JZMDFRLZLWHJBS-LLVKDONJSA-N 2 2 266.345 -0.121 20 0 CBADLP C[C@@H](C(=O)N(C)CCOCC[NH3+])[NH+]1CCN(C)CC1 ZINC000638674418 357519126 /nfs/dbraw/zinc/51/91/26/357519126.db2.gz JKMUPIRFHLSCMF-LBPRGKRZSA-N 2 2 272.393 -0.944 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@H]1CO[C@H](C2CC2)C1 ZINC000638693959 357521959 /nfs/dbraw/zinc/52/19/59/357521959.db2.gz AYLPWQPPAYEJSP-WOPDTQHZSA-N 2 2 255.362 -0.051 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H]1CO[C@H](C2CC2)C1 ZINC000638693958 357522052 /nfs/dbraw/zinc/52/20/52/357522052.db2.gz AYLPWQPPAYEJSP-SRVKXCTJSA-N 2 2 255.362 -0.051 20 0 CBADLP C[NH2+]CC(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000638731267 357526509 /nfs/dbraw/zinc/52/65/09/357526509.db2.gz MIZFRBOODHGJGP-ZDUSSCGKSA-N 2 2 278.356 -0.382 20 0 CBADLP C[NH2+]CC(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000638731267 357526511 /nfs/dbraw/zinc/52/65/11/357526511.db2.gz MIZFRBOODHGJGP-ZDUSSCGKSA-N 2 2 278.356 -0.382 20 0 CBADLP CC(=O)NC[C@H]1CCCCN1C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000638793629 357529271 /nfs/dbraw/zinc/52/92/71/357529271.db2.gz COFMTHNVARETCP-CHWSQXEVSA-N 2 2 284.404 -0.217 20 0 CBADLP COC[C@@]1(C)CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CCO1 ZINC000638797361 357530723 /nfs/dbraw/zinc/53/07/23/357530723.db2.gz QCJQFHMSXJPYGZ-WCQYABFASA-N 2 2 273.377 -0.471 20 0 CBADLP C[C@@H](C(=O)N(C)[C@H]1C[NH+]2CCC1CC2)N1CC[NH2+]CC1=O ZINC000638854935 357538526 /nfs/dbraw/zinc/53/85/26/357538526.db2.gz WZBNCPMKGSTPGB-AAEUAGOBSA-N 2 2 294.399 -0.641 20 0 CBADLP C[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)[NH+]1CCN(C)CC1 ZINC000638914981 357542688 /nfs/dbraw/zinc/54/26/88/357542688.db2.gz GOFUVMMZTVBZOR-SRVKXCTJSA-N 2 2 252.362 -0.805 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638925880 357544270 /nfs/dbraw/zinc/54/42/70/357544270.db2.gz YMDGFJZRPNLIIX-TXEJJXNPSA-N 2 2 282.388 -0.594 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638925880 357544272 /nfs/dbraw/zinc/54/42/72/357544272.db2.gz YMDGFJZRPNLIIX-TXEJJXNPSA-N 2 2 282.388 -0.594 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000638932683 357545435 /nfs/dbraw/zinc/54/54/35/357545435.db2.gz UFNWGPHYNPNEOM-GHMZBOCLSA-N 2 2 270.377 -0.609 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000638932683 357545441 /nfs/dbraw/zinc/54/54/41/357545441.db2.gz UFNWGPHYNPNEOM-GHMZBOCLSA-N 2 2 270.377 -0.609 20 0 CBADLP CNS(=O)(=O)[C@@H]1CCC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000639531151 357576733 /nfs/dbraw/zinc/57/67/33/357576733.db2.gz VJUVAMFSWLMJEE-GFCCVEGCSA-N 2 2 286.401 -0.024 20 0 CBADLP CNS(=O)(=O)[C@@H]1CCC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000639531151 357576736 /nfs/dbraw/zinc/57/67/36/357576736.db2.gz VJUVAMFSWLMJEE-GFCCVEGCSA-N 2 2 286.401 -0.024 20 0 CBADLP [NH3+]C1(C(=O)N2CC[NH+](CCc3cnccn3)CC2)CC1 ZINC000639003842 357550789 /nfs/dbraw/zinc/55/07/89/357550789.db2.gz KRJAUIXSWWXHSR-UHFFFAOYSA-N 2 2 275.356 -0.345 20 0 CBADLP C[C@H](C(=O)N(C)Cc1[nH]cc[nH+]1)N1CC[NH2+]CC1=O ZINC000639016058 357552163 /nfs/dbraw/zinc/55/21/63/357552163.db2.gz DEDQIJNBOUGECZ-SECBINFHSA-N 2 2 265.317 -0.812 20 0 CBADLP CC[N@H+](CCO)CC[NH2+]C[C@@H](OC)[C@H]1CCOC1 ZINC000639053557 357555752 /nfs/dbraw/zinc/55/57/52/357555752.db2.gz JLEGIILILQNDKL-QWHCGFSZSA-N 2 2 260.378 -0.058 20 0 CBADLP CC[N@@H+](CCO)CC[NH2+]C[C@@H](OC)[C@H]1CCOC1 ZINC000639053557 357555753 /nfs/dbraw/zinc/55/57/53/357555753.db2.gz JLEGIILILQNDKL-QWHCGFSZSA-N 2 2 260.378 -0.058 20 0 CBADLP C[N@@H+](Cc1cnc(N)nc1N)C[C@@H]1CC[NH+](C)C1 ZINC000639082251 357556950 /nfs/dbraw/zinc/55/69/50/357556950.db2.gz YUBZMUBAJKSRNS-SECBINFHSA-N 2 2 250.350 -0.315 20 0 CBADLP C[N@H+](Cc1cnc(N)nc1N)C[C@@H]1CC[NH+](C)C1 ZINC000639082251 357556951 /nfs/dbraw/zinc/55/69/51/357556951.db2.gz YUBZMUBAJKSRNS-SECBINFHSA-N 2 2 250.350 -0.315 20 0 CBADLP C[NH+](Cc1cnc(N)nc1N)C[C@@H]1CC[N@H+](C)C1 ZINC000639082251 357556953 /nfs/dbraw/zinc/55/69/53/357556953.db2.gz YUBZMUBAJKSRNS-SECBINFHSA-N 2 2 250.350 -0.315 20 0 CBADLP C[NH+](Cc1cnc(N)nc1N)C[C@@H]1CC[N@@H+](C)C1 ZINC000639082251 357556954 /nfs/dbraw/zinc/55/69/54/357556954.db2.gz YUBZMUBAJKSRNS-SECBINFHSA-N 2 2 250.350 -0.315 20 0 CBADLP CN(Cc1c[nH+]c(N)nc1N)C[C@@H]1CC[N@H+](C)C1 ZINC000639082251 357556956 /nfs/dbraw/zinc/55/69/56/357556956.db2.gz YUBZMUBAJKSRNS-SECBINFHSA-N 2 2 250.350 -0.315 20 0 CBADLP CN(Cc1c[nH+]c(N)nc1N)C[C@@H]1CC[N@@H+](C)C1 ZINC000639082251 357556958 /nfs/dbraw/zinc/55/69/58/357556958.db2.gz YUBZMUBAJKSRNS-SECBINFHSA-N 2 2 250.350 -0.315 20 0 CBADLP C[C@H]1CN(Cc2c[nH+]c(N)nc2N)C[C@@H]1[NH+](C)C ZINC000639173584 357560072 /nfs/dbraw/zinc/56/00/72/357560072.db2.gz DKIFRWIKHSZQEE-WPRPVWTQSA-N 2 2 250.350 -0.316 20 0 CBADLP COCCN(CC[NH+](C)C)Cc1c[nH+]c(N)nc1N ZINC000639173100 357560224 /nfs/dbraw/zinc/56/02/24/357560224.db2.gz SUNOPIHYVBKGDY-UHFFFAOYSA-N 2 2 268.365 -0.688 20 0 CBADLP C[NH+](C)CCN(Cc1c[nH+]c(N)nc1N)C[C@H]1CCCO1 ZINC000639171116 357560520 /nfs/dbraw/zinc/56/05/20/357560520.db2.gz RBTRGUFCJPPOOC-GFCCVEGCSA-N 2 2 294.403 -0.156 20 0 CBADLP C[C@H]1CN(Cc2c[nH+]c(N)nc2N)C[C@H]1[NH+](C)C ZINC000639173583 357560804 /nfs/dbraw/zinc/56/08/04/357560804.db2.gz DKIFRWIKHSZQEE-WCBMZHEXSA-N 2 2 250.350 -0.316 20 0 CBADLP C[N@@H+]1CC[C@]2(CCN(Cc3c[nH+]c(N)nc3N)C2)C1 ZINC000639204348 357561855 /nfs/dbraw/zinc/56/18/55/357561855.db2.gz RXIZHWSFXZFKMG-ZDUSSCGKSA-N 2 2 262.361 -0.171 20 0 CBADLP C[N@H+]1CC[C@]2(CCN(Cc3c[nH+]c(N)nc3N)C2)C1 ZINC000639204348 357561857 /nfs/dbraw/zinc/56/18/57/357561857.db2.gz RXIZHWSFXZFKMG-ZDUSSCGKSA-N 2 2 262.361 -0.171 20 0 CBADLP Nc1nc(N)c(CN2CC[NH+]([C@@H]3CCOC3)CC2)c[nH+]1 ZINC000639308525 357566118 /nfs/dbraw/zinc/56/61/18/357566118.db2.gz BICUTZZSXJKHLY-LLVKDONJSA-N 2 2 278.360 -0.792 20 0 CBADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000639558862 357578707 /nfs/dbraw/zinc/57/87/07/357578707.db2.gz ISUDIGXDTDSWML-NSHDSACASA-N 2 2 272.374 -0.285 20 0 CBADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000639558862 357578712 /nfs/dbraw/zinc/57/87/12/357578712.db2.gz ISUDIGXDTDSWML-NSHDSACASA-N 2 2 272.374 -0.285 20 0 CBADLP C[NH+](C)C[C@]1(O)CCC[N@H+](CC(=O)N2CCC2)C1 ZINC000639760509 357594301 /nfs/dbraw/zinc/59/43/01/357594301.db2.gz BHRAWGPKVUEOCN-CYBMUJFWSA-N 2 2 255.362 -0.393 20 0 CBADLP C[NH+](C)C[C@]1(O)CCC[N@@H+](CC(=O)N2CCC2)C1 ZINC000639760509 357594307 /nfs/dbraw/zinc/59/43/07/357594307.db2.gz BHRAWGPKVUEOCN-CYBMUJFWSA-N 2 2 255.362 -0.393 20 0 CBADLP CN1CC[C@@H]([N@@H+]2CCC[C@](O)(C[NH+](C)C)C2)C1=O ZINC000639761705 357595782 /nfs/dbraw/zinc/59/57/82/357595782.db2.gz IKSUPVOCHARNMP-YPMHNXCESA-N 2 2 255.362 -0.394 20 0 CBADLP CN1CC[C@@H]([N@H+]2CCC[C@](O)(C[NH+](C)C)C2)C1=O ZINC000639761705 357595789 /nfs/dbraw/zinc/59/57/89/357595789.db2.gz IKSUPVOCHARNMP-YPMHNXCESA-N 2 2 255.362 -0.394 20 0 CBADLP C[C@@H](C(=O)N(C)C)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639763952 357596234 /nfs/dbraw/zinc/59/62/34/357596234.db2.gz FBKOHAJOHHHLLY-AAEUAGOBSA-N 2 2 257.378 -0.148 20 0 CBADLP C[C@@H](C(=O)N(C)C)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639763952 357596240 /nfs/dbraw/zinc/59/62/40/357596240.db2.gz FBKOHAJOHHHLLY-AAEUAGOBSA-N 2 2 257.378 -0.148 20 0 CBADLP C[NH+](C)C[C@@]1(O)CCC[N@H+](CCN2C(=O)CCC2=O)C1 ZINC000639762195 357596350 /nfs/dbraw/zinc/59/63/50/357596350.db2.gz HKRQPQZEYYCWOG-AWEZNQCLSA-N 2 2 283.372 -0.476 20 0 CBADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC000639762195 357596353 /nfs/dbraw/zinc/59/63/53/357596353.db2.gz HKRQPQZEYYCWOG-AWEZNQCLSA-N 2 2 283.372 -0.476 20 0 CBADLP CO[C@@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)CCO1 ZINC000639836033 357601991 /nfs/dbraw/zinc/60/19/91/357601991.db2.gz FAYRCZZPMHYXOI-ZDUSSCGKSA-N 2 2 271.361 -0.545 20 0 CBADLP CO[C@@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)CCO1 ZINC000639836033 357601993 /nfs/dbraw/zinc/60/19/93/357601993.db2.gz FAYRCZZPMHYXOI-ZDUSSCGKSA-N 2 2 271.361 -0.545 20 0 CBADLP C[C@H]1C[N@H+](CCN2CC[NH+](C)C[C@H]2CO)CCO1 ZINC000639869302 357614209 /nfs/dbraw/zinc/61/42/09/357614209.db2.gz BACMKIVDGYQQON-STQMWFEESA-N 2 2 257.378 -0.685 20 0 CBADLP C[C@H]1C[N@@H+](CCN2CC[NH+](C)C[C@H]2CO)CCO1 ZINC000639869302 357614210 /nfs/dbraw/zinc/61/42/10/357614210.db2.gz BACMKIVDGYQQON-STQMWFEESA-N 2 2 257.378 -0.685 20 0 CBADLP C[C@H]1C[NH+](CCN2CC[N@H+](C)C[C@H]2CO)CCO1 ZINC000639869302 357614215 /nfs/dbraw/zinc/61/42/15/357614215.db2.gz BACMKIVDGYQQON-STQMWFEESA-N 2 2 257.378 -0.685 20 0 CBADLP C[C@H]1C[NH+](CCN2CC[N@@H+](C)C[C@H]2CO)CCO1 ZINC000639869302 357614221 /nfs/dbraw/zinc/61/42/21/357614221.db2.gz BACMKIVDGYQQON-STQMWFEESA-N 2 2 257.378 -0.685 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@H](CO)C[NH+]1CCCCC1 ZINC000640290333 357642011 /nfs/dbraw/zinc/64/20/11/357642011.db2.gz MUGOXHPHMGXCEY-LBPRGKRZSA-N 2 2 280.372 -0.074 20 0 CBADLP CC(C)OC[C@H](O)C[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640050238 357631514 /nfs/dbraw/zinc/63/15/14/357631514.db2.gz ZZRRZAUDCYOZEW-CYBMUJFWSA-N 2 2 287.404 -0.522 20 0 CBADLP CC(C)OC[C@H](O)C[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640050238 357631518 /nfs/dbraw/zinc/63/15/18/357631518.db2.gz ZZRRZAUDCYOZEW-CYBMUJFWSA-N 2 2 287.404 -0.522 20 0 CBADLP C[N@H+](CCC1(O)CCC1)CC(=O)N1CC[NH+](C)CC1 ZINC000640051069 357631661 /nfs/dbraw/zinc/63/16/61/357631661.db2.gz FRUFZNPBNHBBTB-UHFFFAOYSA-N 2 2 269.389 -0.003 20 0 CBADLP C[N@@H+](CCC1(O)CCC1)CC(=O)N1CC[NH+](C)CC1 ZINC000640051069 357631663 /nfs/dbraw/zinc/63/16/63/357631663.db2.gz FRUFZNPBNHBBTB-UHFFFAOYSA-N 2 2 269.389 -0.003 20 0 CBADLP Cn1ccc(C[N@H+](C)CC(=O)N2CC[NH+](C)CC2)cc1=O ZINC000640057803 357632962 /nfs/dbraw/zinc/63/29/62/357632962.db2.gz DAQGKBQEDDBVBB-UHFFFAOYSA-N 2 2 292.383 -0.409 20 0 CBADLP Cn1ccc(C[N@@H+](C)CC(=O)N2CC[NH+](C)CC2)cc1=O ZINC000640057803 357632965 /nfs/dbraw/zinc/63/29/65/357632965.db2.gz DAQGKBQEDDBVBB-UHFFFAOYSA-N 2 2 292.383 -0.409 20 0 CBADLP CN(C)C(=O)CC[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640057815 357633165 /nfs/dbraw/zinc/63/31/65/357633165.db2.gz DPVPMDGKDBMERY-UHFFFAOYSA-N 2 2 270.377 -0.830 20 0 CBADLP CN(C)C(=O)CC[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640057815 357633166 /nfs/dbraw/zinc/63/31/66/357633166.db2.gz DPVPMDGKDBMERY-UHFFFAOYSA-N 2 2 270.377 -0.830 20 0 CBADLP Cn1nccc1CC[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640051596 357633288 /nfs/dbraw/zinc/63/32/88/357633288.db2.gz ROMORRZWHHYJNN-UHFFFAOYSA-N 2 2 279.388 -0.332 20 0 CBADLP Cn1nccc1CC[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640051596 357633289 /nfs/dbraw/zinc/63/32/89/357633289.db2.gz ROMORRZWHHYJNN-UHFFFAOYSA-N 2 2 279.388 -0.332 20 0 CBADLP CC(C)N1CC[C@H]([N@H+](C)CC(=O)N2CC[NH+](C)CC2)C1=O ZINC000640059676 357634096 /nfs/dbraw/zinc/63/40/96/357634096.db2.gz VYFIBMJERKSTAB-ZDUSSCGKSA-N 2 2 296.415 -0.299 20 0 CBADLP CC(C)N1CC[C@H]([N@@H+](C)CC(=O)N2CC[NH+](C)CC2)C1=O ZINC000640059676 357634101 /nfs/dbraw/zinc/63/41/01/357634101.db2.gz VYFIBMJERKSTAB-ZDUSSCGKSA-N 2 2 296.415 -0.299 20 0 CBADLP CCOC[C@H](O)C[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640060074 357634242 /nfs/dbraw/zinc/63/42/42/357634242.db2.gz YYENOHRIBVELCY-GFCCVEGCSA-N 2 2 273.377 -0.910 20 0 CBADLP CCOC[C@H](O)C[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640060074 357634246 /nfs/dbraw/zinc/63/42/46/357634246.db2.gz YYENOHRIBVELCY-GFCCVEGCSA-N 2 2 273.377 -0.910 20 0 CBADLP CNC(=O)NC[C@H]1COCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000640106025 357636604 /nfs/dbraw/zinc/63/66/04/357636604.db2.gz KTUIHRHFHDSPHD-ZDUSSCGKSA-N 2 2 295.387 -0.018 20 0 CBADLP CNC(=O)NC[C@H]1COCC[N@H+]1CCCc1c[nH+]cn1C ZINC000640106025 357636605 /nfs/dbraw/zinc/63/66/05/357636605.db2.gz KTUIHRHFHDSPHD-ZDUSSCGKSA-N 2 2 295.387 -0.018 20 0 CBADLP O=S(=O)(CCn1cc[nH+]c1)N1CCn2c[nH+]cc2C1 ZINC000641500011 357713866 /nfs/dbraw/zinc/71/38/66/357713866.db2.gz BGDYGELAHFEDKG-UHFFFAOYSA-N 2 2 281.341 -0.075 20 0 CBADLP C[NH+]1CCN(S(=O)(=O)CCn2cc[nH+]c2)CC1 ZINC000641249422 357684239 /nfs/dbraw/zinc/68/42/39/357684239.db2.gz JYEDSRVBEMIVHU-UHFFFAOYSA-N 2 2 258.347 -0.540 20 0 CBADLP C[N@@H+]1CCC[C@@H](NS(=O)(=O)CCn2cc[nH+]c2)C1 ZINC000641288902 357688082 /nfs/dbraw/zinc/68/80/82/357688082.db2.gz HKULYBHSSBHSTQ-LLVKDONJSA-N 2 2 272.374 -0.103 20 0 CBADLP C[N@H+]1CCC[C@@H](NS(=O)(=O)CCn2cc[nH+]c2)C1 ZINC000641288902 357688084 /nfs/dbraw/zinc/68/80/84/357688084.db2.gz HKULYBHSSBHSTQ-LLVKDONJSA-N 2 2 272.374 -0.103 20 0 CBADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)NC[C@@H](C)[NH3+])CC1 ZINC000641413780 357702024 /nfs/dbraw/zinc/70/20/24/357702024.db2.gz PGFLSWKRGBMNDX-GFCCVEGCSA-N 2 2 299.419 -0.471 20 0 CBADLP C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)CC1 ZINC000641800846 357742600 /nfs/dbraw/zinc/74/26/00/357742600.db2.gz HEINCJWLTGMRBS-NWDGAFQWSA-N 3 2 268.405 -0.134 20 0 CBADLP C[C@H]1CN(C(=O)C(=O)N2CC[N@H+](C)C(C)(C)C2)CC[NH2+]1 ZINC000641824921 357746679 /nfs/dbraw/zinc/74/66/79/357746679.db2.gz OEMIXYMSBVJBIZ-NSHDSACASA-N 2 2 282.388 -0.641 20 0 CBADLP C[C@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)C(C)(C)C2)CC[NH2+]1 ZINC000641824921 357746680 /nfs/dbraw/zinc/74/66/80/357746680.db2.gz OEMIXYMSBVJBIZ-NSHDSACASA-N 2 2 282.388 -0.641 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@H]3CC[NH2+][C@@H]3C2)CC1 ZINC000643065049 357776225 /nfs/dbraw/zinc/77/62/25/357776225.db2.gz QWIUTAQJNSZWDK-ZIAGYGMSSA-N 3 2 280.416 -0.166 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@H]3CC[NH2+][C@@H]3C2)CC1 ZINC000643065049 357776229 /nfs/dbraw/zinc/77/62/29/357776229.db2.gz QWIUTAQJNSZWDK-ZIAGYGMSSA-N 3 2 280.416 -0.166 20 0 CBADLP CN(CC[NH3+])C(=O)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000642789141 357763801 /nfs/dbraw/zinc/76/38/01/357763801.db2.gz SNHRUQBUWSVTDG-CYBMUJFWSA-N 2 2 290.367 -0.294 20 0 CBADLP CN(CC[NH3+])C(=O)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000642789141 357763805 /nfs/dbraw/zinc/76/38/05/357763805.db2.gz SNHRUQBUWSVTDG-CYBMUJFWSA-N 2 2 290.367 -0.294 20 0 CBADLP C[NH2+]CCNC(=O)C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000642789174 357763836 /nfs/dbraw/zinc/76/38/36/357763836.db2.gz UDRGTMLLQYJCQD-ZDUSSCGKSA-N 2 2 290.367 -0.375 20 0 CBADLP C[NH2+]CCNC(=O)C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000642789174 357763837 /nfs/dbraw/zinc/76/38/37/357763837.db2.gz UDRGTMLLQYJCQD-ZDUSSCGKSA-N 2 2 290.367 -0.375 20 0 CBADLP [NH3+]C[C@H]1CCC[C@H]1NC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000642950013 357772595 /nfs/dbraw/zinc/77/25/95/357772595.db2.gz PDRWKIMZZKJSSB-DGCLKSJQSA-N 2 2 294.399 -0.463 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)CC1 ZINC000643472829 357784166 /nfs/dbraw/zinc/78/41/66/357784166.db2.gz IBUYFQHFGXVURJ-CHWSQXEVSA-N 2 2 294.399 -0.639 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CC1 ZINC000643472831 357784340 /nfs/dbraw/zinc/78/43/40/357784340.db2.gz IBUYFQHFGXVURJ-QWHCGFSZSA-N 2 2 294.399 -0.639 20 0 CBADLP Cc1cn2c([nH+]1)CN(C(=O)C(=O)N1CC[NH2+]C[C@@H]1C)CC2 ZINC000643576762 357788655 /nfs/dbraw/zinc/78/86/55/357788655.db2.gz OXYQSRBZWHLWJD-NSHDSACASA-N 2 2 291.355 -0.646 20 0 CBADLP CNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000162435673 283304598 /nfs/dbraw/zinc/30/45/98/283304598.db2.gz WUUQCRMPNQNDQN-GFCCVEGCSA-N 2 2 282.388 -0.639 20 0 CBADLP CNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000162435673 283304600 /nfs/dbraw/zinc/30/46/00/283304600.db2.gz WUUQCRMPNQNDQN-GFCCVEGCSA-N 2 2 282.388 -0.639 20 0 CBADLP COC(=O)NCC[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000496564967 291200118 /nfs/dbraw/zinc/20/01/18/291200118.db2.gz BHLAKZBYCWMMNT-UTUOFQBUSA-N 2 2 289.376 -0.598 20 0 CBADLP CNC(=O)NCCC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000342057291 216203275 /nfs/dbraw/zinc/20/32/75/216203275.db2.gz IJXVARVSUKRDAE-UHFFFAOYSA-N 2 2 299.419 -0.552 20 0 CBADLP C[C@@H]([NH3+])[C@@H](C)C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000493895881 296021247 /nfs/dbraw/zinc/02/12/47/296021247.db2.gz AZCASANZTWBTEK-NXEZZACHSA-N 2 2 270.377 -0.622 20 0 CBADLP Cn1cc(N2CC[C@H]([NH2+]CC3([NH3+])CCC3)C2=O)cn1 ZINC000342135822 216233997 /nfs/dbraw/zinc/23/39/97/216233997.db2.gz LMFAQRQPWDZFLJ-NSHDSACASA-N 2 2 263.345 -0.004 20 0 CBADLP CS(=O)(=O)N1CCC[N@H+](CCn2cc[nH+]c2)CC1 ZINC000179313520 189185358 /nfs/dbraw/zinc/18/53/58/189185358.db2.gz WFDVBQIFEQBAHR-UHFFFAOYSA-N 2 2 272.374 -0.150 20 0 CBADLP CS(=O)(=O)N1CCC[N@@H+](CCn2cc[nH+]c2)CC1 ZINC000179313520 189185359 /nfs/dbraw/zinc/18/53/59/189185359.db2.gz WFDVBQIFEQBAHR-UHFFFAOYSA-N 2 2 272.374 -0.150 20 0 CBADLP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N(C)CC[NH+]1CCOCC1 ZINC000342363689 216326896 /nfs/dbraw/zinc/32/68/96/216326896.db2.gz ADCCTRCDHOYXOY-STQMWFEESA-N 2 2 269.389 -0.025 20 0 CBADLP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)CC[NH+]1CCOCC1 ZINC000342363689 216326900 /nfs/dbraw/zinc/32/69/00/216326900.db2.gz ADCCTRCDHOYXOY-STQMWFEESA-N 2 2 269.389 -0.025 20 0 CBADLP C[C@H](C(=O)N1CCO[C@H](C[NH+](C)C)C1)[NH+]1CCOCC1 ZINC000342376403 216329461 /nfs/dbraw/zinc/32/94/61/216329461.db2.gz IWSWBAPLRXUFFD-CHWSQXEVSA-N 2 2 285.388 -0.504 20 0 CBADLP [NH3+]CCOc1ccc(NC(=O)[C@H]2COCC[NH2+]2)cc1 ZINC000183250998 189351812 /nfs/dbraw/zinc/35/18/12/189351812.db2.gz YQAXCCJNIWNJCX-GFCCVEGCSA-N 2 2 265.313 -0.049 20 0 CBADLP Cn1cc[nH+]c1CN1CCN(C(=O)C2C[NH2+]C2)CC1 ZINC000342491684 216370149 /nfs/dbraw/zinc/37/01/49/216370149.db2.gz DGJPMQYBXOOQBI-UHFFFAOYSA-N 2 2 263.345 -0.716 20 0 CBADLP CN(CCCn1cc[nH+]c1)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000574340443 335012394 /nfs/dbraw/zinc/01/23/94/335012394.db2.gz FYWAPBFGHQFOHG-NSHDSACASA-N 2 2 279.344 -0.790 20 0 CBADLP C[C@H](O)C[NH+]1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000330782089 203229050 /nfs/dbraw/zinc/22/90/50/203229050.db2.gz PFFKNUWYXYQPKH-NSHDSACASA-N 2 2 266.345 -0.133 20 0 CBADLP C[C@H](O)C[NH+]1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000330782089 203229053 /nfs/dbraw/zinc/22/90/53/203229053.db2.gz PFFKNUWYXYQPKH-NSHDSACASA-N 2 2 266.345 -0.133 20 0 CBADLP OC[C@@H](O)C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000330805848 203259077 /nfs/dbraw/zinc/25/90/77/203259077.db2.gz KZVHVNOUYDECNL-AWEZNQCLSA-N 2 2 265.357 -0.011 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000276189049 193238041 /nfs/dbraw/zinc/23/80/41/193238041.db2.gz HQGUDDPRQTVNHC-NEPJUHHUSA-N 2 2 278.356 -0.108 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000276189049 193238043 /nfs/dbraw/zinc/23/80/43/193238043.db2.gz HQGUDDPRQTVNHC-NEPJUHHUSA-N 2 2 278.356 -0.108 20 0 CBADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)NCCCn1cc[nH+]c1 ZINC000331701742 204088518 /nfs/dbraw/zinc/08/85/18/204088518.db2.gz FTFVPOQPBQURQN-CYBMUJFWSA-N 2 2 294.403 -0.182 20 0 CBADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NCCCn1cc[nH+]c1 ZINC000331701742 204088521 /nfs/dbraw/zinc/08/85/21/204088521.db2.gz FTFVPOQPBQURQN-CYBMUJFWSA-N 2 2 294.403 -0.182 20 0 CBADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NCCn1cc[nH+]c1 ZINC000331715094 204099698 /nfs/dbraw/zinc/09/96/98/204099698.db2.gz NIWGMGMWQRESPT-ZDUSSCGKSA-N 2 2 294.403 -0.182 20 0 CBADLP CN(CCC[N@H+](C)Cc1nc(=O)n(C)[nH]1)CC[NH+](C)C ZINC000344033277 217021983 /nfs/dbraw/zinc/02/19/83/217021983.db2.gz FLGIXRHDYHXSGY-UHFFFAOYSA-N 2 2 284.408 -0.576 20 0 CBADLP CN(CCC[N@@H+](C)Cc1nc(=O)n(C)[nH]1)CC[NH+](C)C ZINC000344033277 217021985 /nfs/dbraw/zinc/02/19/85/217021985.db2.gz FLGIXRHDYHXSGY-UHFFFAOYSA-N 2 2 284.408 -0.576 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCC[NH+]1CCN(CCO)CC1 ZINC000344303840 217141195 /nfs/dbraw/zinc/14/11/95/217141195.db2.gz CMOZOPWLCUBHFD-CVEARBPZSA-N 3 2 298.475 -0.084 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCC[NH+]1CCN(CCO)CC1 ZINC000344303840 217141198 /nfs/dbraw/zinc/14/11/98/217141198.db2.gz CMOZOPWLCUBHFD-CVEARBPZSA-N 3 2 298.475 -0.084 20 0 CBADLP C[C@H]1[C@@H]([NH2+]Cc2cn(C)c(=O)n(C)c2=O)CCC[N@@H+]1C ZINC000344324039 217149143 /nfs/dbraw/zinc/14/91/43/217149143.db2.gz FRZAUYJTBZUSMQ-JQWIXIFHSA-N 2 2 280.372 -0.344 20 0 CBADLP C[C@H]1[C@@H]([NH2+]Cc2cn(C)c(=O)n(C)c2=O)CCC[N@H+]1C ZINC000344324039 217149146 /nfs/dbraw/zinc/14/91/46/217149146.db2.gz FRZAUYJTBZUSMQ-JQWIXIFHSA-N 2 2 280.372 -0.344 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000333070466 205004187 /nfs/dbraw/zinc/00/41/87/205004187.db2.gz UXKVSECEDLZJSV-JSGCOSHPSA-N 2 2 285.388 -0.720 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000333070466 205004192 /nfs/dbraw/zinc/00/41/92/205004192.db2.gz UXKVSECEDLZJSV-JSGCOSHPSA-N 2 2 285.388 -0.720 20 0 CBADLP CC(C)(CNC(=O)N[C@H]1CC[NH2+]C1)[NH+]1CCOCC1 ZINC000333159119 205080018 /nfs/dbraw/zinc/08/00/18/205080018.db2.gz GFBNDAPFVZHVLL-NSHDSACASA-N 2 2 270.377 -0.242 20 0 CBADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000353425109 220074899 /nfs/dbraw/zinc/07/48/99/220074899.db2.gz IPKLPCOVGYXQON-RYUDHWBXSA-N 2 2 255.362 -0.489 20 0 CBADLP CC[C@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000353425110 220076429 /nfs/dbraw/zinc/07/64/29/220076429.db2.gz IPKLPCOVGYXQON-VXGBXAGGSA-N 2 2 255.362 -0.489 20 0 CBADLP C[C@H]1C[C@H]([NH+](C)CCNS(C)(=O)=O)CC[N@@H+]1C ZINC000123128846 372795573 /nfs/dbraw/zinc/79/55/73/372795573.db2.gz RZNKEAVDNQIKEV-WDEREUQCSA-N 2 2 263.407 -0.050 20 0 CBADLP C[C@H]1C[C@H]([NH+](C)CCNS(C)(=O)=O)CC[N@H+]1C ZINC000123128846 372795587 /nfs/dbraw/zinc/79/55/87/372795587.db2.gz RZNKEAVDNQIKEV-WDEREUQCSA-N 2 2 263.407 -0.050 20 0 CBADLP C[C@H]1C[C@H]([N@H+](C)CCNS(C)(=O)=O)CC[NH+]1C ZINC000123128846 372795593 /nfs/dbraw/zinc/79/55/93/372795593.db2.gz RZNKEAVDNQIKEV-WDEREUQCSA-N 2 2 263.407 -0.050 20 0 CBADLP C[C@H]1C[C@H]([N@@H+](C)CCNS(C)(=O)=O)CC[NH+]1C ZINC000123128846 372795602 /nfs/dbraw/zinc/79/56/02/372795602.db2.gz RZNKEAVDNQIKEV-WDEREUQCSA-N 2 2 263.407 -0.050 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)NCC2([NH+]3CCOCC3)CC2)C1 ZINC000333214466 205123906 /nfs/dbraw/zinc/12/39/06/205123906.db2.gz DHXDOGAPJKJHPB-GFCCVEGCSA-N 2 2 283.372 -0.702 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)NCC2([NH+]3CCOCC3)CC2)C1 ZINC000333214466 205123910 /nfs/dbraw/zinc/12/39/10/205123910.db2.gz DHXDOGAPJKJHPB-GFCCVEGCSA-N 2 2 283.372 -0.702 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)NCC2([NH+]3CCOCC3)CC2)C1 ZINC000333214467 205125269 /nfs/dbraw/zinc/12/52/69/205125269.db2.gz DHXDOGAPJKJHPB-LBPRGKRZSA-N 2 2 283.372 -0.702 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)NCC2([NH+]3CCOCC3)CC2)C1 ZINC000333214467 205125274 /nfs/dbraw/zinc/12/52/74/205125274.db2.gz DHXDOGAPJKJHPB-LBPRGKRZSA-N 2 2 283.372 -0.702 20 0 CBADLP CCNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000162581890 372819085 /nfs/dbraw/zinc/81/90/85/372819085.db2.gz OJNNIRWEMOZUON-ZDUSSCGKSA-N 2 2 296.415 -0.249 20 0 CBADLP CCNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000162581890 372819092 /nfs/dbraw/zinc/81/90/92/372819092.db2.gz OJNNIRWEMOZUON-ZDUSSCGKSA-N 2 2 296.415 -0.249 20 0 CBADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)C2(C)C[NH2+]C2)CC1 ZINC000333231594 205137775 /nfs/dbraw/zinc/13/77/75/205137775.db2.gz CDTYHSTWYYNZEE-UHFFFAOYSA-N 2 2 282.388 -0.734 20 0 CBADLP CCNC(=O)C[N@H+]1CCCN(C(=O)C2(C)C[NH2+]C2)CC1 ZINC000333231594 205137779 /nfs/dbraw/zinc/13/77/79/205137779.db2.gz CDTYHSTWYYNZEE-UHFFFAOYSA-N 2 2 282.388 -0.734 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CCCC[C@@H]2C(N)=O)CC1 ZINC000184833771 372845569 /nfs/dbraw/zinc/84/55/69/372845569.db2.gz ZHIAAQQPBJHDEU-RYUDHWBXSA-N 2 2 282.388 -0.606 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH+]2CCSCC2)C1 ZINC000353445355 220088206 /nfs/dbraw/zinc/08/82/06/220088206.db2.gz LBXQHQPWNYHFBS-GFCCVEGCSA-N 2 2 287.429 -0.128 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH+]2CCSCC2)C1 ZINC000353445355 220088209 /nfs/dbraw/zinc/08/82/09/220088209.db2.gz LBXQHQPWNYHFBS-GFCCVEGCSA-N 2 2 287.429 -0.128 20 0 CBADLP O=C(NC[C@@H]1C[NH2+]CCO1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000333321668 205216588 /nfs/dbraw/zinc/21/65/88/205216588.db2.gz UPTPACNWNUMRAA-KBPBESRZSA-N 2 2 297.399 -0.266 20 0 CBADLP O=C(NC[C@@H]1C[NH2+]CCO1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000333321668 205216592 /nfs/dbraw/zinc/21/65/92/205216592.db2.gz UPTPACNWNUMRAA-KBPBESRZSA-N 2 2 297.399 -0.266 20 0 CBADLP CC[C@H]1CN(C(=O)[C@H]2COCC[NH2+]2)CC[N@@H+]1CCOC ZINC000246194148 372883240 /nfs/dbraw/zinc/88/32/40/372883240.db2.gz DLBVRLDOCDXZOG-QWHCGFSZSA-N 2 2 285.388 -0.456 20 0 CBADLP CC[C@H]1CN(C(=O)[C@H]2COCC[NH2+]2)CC[N@H+]1CCOC ZINC000246194148 372883250 /nfs/dbraw/zinc/88/32/50/372883250.db2.gz DLBVRLDOCDXZOG-QWHCGFSZSA-N 2 2 285.388 -0.456 20 0 CBADLP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261569821 372905772 /nfs/dbraw/zinc/90/57/72/372905772.db2.gz KBJXHSDUPMOAAL-GUBZILKMSA-N 2 2 254.334 -0.486 20 0 CBADLP CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261569821 372905778 /nfs/dbraw/zinc/90/57/78/372905778.db2.gz KBJXHSDUPMOAAL-GUBZILKMSA-N 2 2 254.334 -0.486 20 0 CBADLP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261569173 372906833 /nfs/dbraw/zinc/90/68/33/372906833.db2.gz JOHUCBXYROMLHR-SKDRFNHKSA-N 2 2 254.334 -0.484 20 0 CBADLP CNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261569173 372906837 /nfs/dbraw/zinc/90/68/37/372906837.db2.gz JOHUCBXYROMLHR-SKDRFNHKSA-N 2 2 254.334 -0.484 20 0 CBADLP NC(=O)C[C@H]([NH3+])C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000353503491 220124048 /nfs/dbraw/zinc/12/40/48/220124048.db2.gz WKNVHOYMBMCDEW-ZDUSSCGKSA-N 2 2 290.367 -0.636 20 0 CBADLP NC(=O)C[C@H]([NH3+])C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000353503491 220124049 /nfs/dbraw/zinc/12/40/49/220124049.db2.gz WKNVHOYMBMCDEW-ZDUSSCGKSA-N 2 2 290.367 -0.636 20 0 CBADLP NC(=O)C[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000353503490 220124344 /nfs/dbraw/zinc/12/43/44/220124344.db2.gz WKNVHOYMBMCDEW-CYBMUJFWSA-N 2 2 290.367 -0.636 20 0 CBADLP NC(=O)C[C@@H]([NH3+])C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000353503490 220124345 /nfs/dbraw/zinc/12/43/45/220124345.db2.gz WKNVHOYMBMCDEW-CYBMUJFWSA-N 2 2 290.367 -0.636 20 0 CBADLP C[NH+]1CCN(C(=O)CCNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000333412995 205299359 /nfs/dbraw/zinc/29/93/59/205299359.db2.gz HGXBQGWTJRFZKM-UHFFFAOYSA-N 2 2 293.371 -0.377 20 0 CBADLP C[NH+]1CCN(C(=O)CCNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000333412995 205299364 /nfs/dbraw/zinc/29/93/64/205299364.db2.gz HGXBQGWTJRFZKM-UHFFFAOYSA-N 2 2 293.371 -0.377 20 0 CBADLP C[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000333447947 205328081 /nfs/dbraw/zinc/32/80/81/205328081.db2.gz LDBPWBNYGAMFAO-OLZOCXBDSA-N 2 2 292.383 -0.030 20 0 CBADLP O=C(N[C@@H]1CC[NH2+]C1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000333677231 373011296 /nfs/dbraw/zinc/01/12/96/373011296.db2.gz OFPUHSAIECRJID-CHWSQXEVSA-N 2 2 282.388 -0.146 20 0 CBADLP CNC(=O)C[C@@H](C)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000341906109 373043824 /nfs/dbraw/zinc/04/38/24/373043824.db2.gz WSWWQVWUTBMIEA-MNOVXSKESA-N 2 2 270.377 -0.560 20 0 CBADLP CNC(=O)C[C@@H](C)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000341906109 373043829 /nfs/dbraw/zinc/04/38/29/373043829.db2.gz WSWWQVWUTBMIEA-MNOVXSKESA-N 2 2 270.377 -0.560 20 0 CBADLP [NH3+][C@@H]1CCc2ncc(NC(=O)[C@@H]3COCC[NH2+]3)cc2C1 ZINC000348996300 373087801 /nfs/dbraw/zinc/08/78/01/373087801.db2.gz XGCYLTJXMJBEIJ-MFKMUULPSA-N 2 2 276.340 -0.176 20 0 CBADLP C[C@@H](CS(C)(=O)=O)[N@H+](CCOCC[NH3+])C1CC1 ZINC000357067367 373167545 /nfs/dbraw/zinc/16/75/45/373167545.db2.gz DSVLXVIVVHATDI-JTQLQIEISA-N 2 2 264.391 -0.141 20 0 CBADLP C[C@@H](CS(C)(=O)=O)[N@@H+](CCOCC[NH3+])C1CC1 ZINC000357067367 373167553 /nfs/dbraw/zinc/16/75/53/373167553.db2.gz DSVLXVIVVHATDI-JTQLQIEISA-N 2 2 264.391 -0.141 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000354670340 373119673 /nfs/dbraw/zinc/11/96/73/373119673.db2.gz ISIVOKFIFUTLLK-VXGBXAGGSA-N 2 2 293.371 -0.354 20 0 CBADLP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000355298978 373123528 /nfs/dbraw/zinc/12/35/28/373123528.db2.gz NTNKVCHSCCGBIL-LBPRGKRZSA-N 2 2 296.415 -0.251 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](CCOC)CC2)C1 ZINC000360418323 373187608 /nfs/dbraw/zinc/18/76/08/373187608.db2.gz JYUVLZHINCNSOO-CYBMUJFWSA-N 2 2 285.388 -0.502 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](CCOC)CC2)C1 ZINC000360418323 373187611 /nfs/dbraw/zinc/18/76/11/373187611.db2.gz JYUVLZHINCNSOO-CYBMUJFWSA-N 2 2 285.388 -0.502 20 0 CBADLP C[N@@H+]1CC[C@@](O)(CNC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000360505211 373202266 /nfs/dbraw/zinc/20/22/66/373202266.db2.gz SWEWLKNPTVUFRX-QMTHXVAHSA-N 2 2 293.371 -0.367 20 0 CBADLP C[N@H+]1CC[C@@](O)(CNC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000360505211 373202270 /nfs/dbraw/zinc/20/22/70/373202270.db2.gz SWEWLKNPTVUFRX-QMTHXVAHSA-N 2 2 293.371 -0.367 20 0 CBADLP C[N@@H+]1CC[C@@](O)(CNC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000360505210 373202423 /nfs/dbraw/zinc/20/24/23/373202423.db2.gz SWEWLKNPTVUFRX-IINYFYTJSA-N 2 2 293.371 -0.367 20 0 CBADLP C[N@H+]1CC[C@@](O)(CNC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000360505210 373202432 /nfs/dbraw/zinc/20/24/32/373202432.db2.gz SWEWLKNPTVUFRX-IINYFYTJSA-N 2 2 293.371 -0.367 20 0 CBADLP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@@H]([NH3+])CC(N)=O)C1 ZINC000353575457 220167398 /nfs/dbraw/zinc/16/73/98/220167398.db2.gz FMTUUXOVGKJJQM-MNOVXSKESA-N 2 2 293.371 -0.188 20 0 CBADLP C[C@@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)C[C@@H]1CO ZINC000362060557 373361311 /nfs/dbraw/zinc/36/13/11/373361311.db2.gz YWMLOIZHHGOGNY-VXGBXAGGSA-N 2 2 255.362 -0.679 20 0 CBADLP C[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)C[C@@H]1CO ZINC000362060557 373361318 /nfs/dbraw/zinc/36/13/18/373361318.db2.gz YWMLOIZHHGOGNY-VXGBXAGGSA-N 2 2 255.362 -0.679 20 0 CBADLP CC[C@@H](CNC(=O)C[NH+](C)C)NC(=O)C[NH+](C)C ZINC000362106555 373369831 /nfs/dbraw/zinc/36/98/31/373369831.db2.gz NSSMKCKCCRGRFP-JTQLQIEISA-N 2 2 258.366 -0.879 20 0 CBADLP C[NH+](C)CC(=O)N1CC[NH+]([C@H]2CCN(C3CC3)C2=O)CC1 ZINC000362159616 373373808 /nfs/dbraw/zinc/37/38/08/373373808.db2.gz WARJPJBPKMNBDU-ZDUSSCGKSA-N 2 2 294.399 -0.545 20 0 CBADLP CC[C@H](C)[C@@H](NC(=O)C[N@@H+]1CC[C@H](C[NH3+])C1)C(=O)OC ZINC000050248341 220194368 /nfs/dbraw/zinc/19/43/68/220194368.db2.gz UKAYHRNMTIBZCE-DMDPSCGWSA-N 2 2 285.388 -0.029 20 0 CBADLP CC[C@H](C)[C@@H](NC(=O)C[N@H+]1CC[C@H](C[NH3+])C1)C(=O)OC ZINC000050248341 220194371 /nfs/dbraw/zinc/19/43/71/220194371.db2.gz UKAYHRNMTIBZCE-DMDPSCGWSA-N 2 2 285.388 -0.029 20 0 CBADLP C[C@@H]1COCC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000362338944 373392807 /nfs/dbraw/zinc/39/28/07/373392807.db2.gz DFEKOPHWOLGRJD-LBPRGKRZSA-N 2 2 255.362 -0.271 20 0 CBADLP C[C@@H]1COCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000362338944 373392810 /nfs/dbraw/zinc/39/28/10/373392810.db2.gz DFEKOPHWOLGRJD-LBPRGKRZSA-N 2 2 255.362 -0.271 20 0 CBADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](Cc2cc[nH]n2)C1 ZINC000362697350 373438644 /nfs/dbraw/zinc/43/86/44/373438644.db2.gz JVWJHUIOKVHCBS-GFCCVEGCSA-N 2 2 263.345 -0.194 20 0 CBADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](Cc2cc[nH]n2)C1 ZINC000362697350 373438652 /nfs/dbraw/zinc/43/86/52/373438652.db2.gz JVWJHUIOKVHCBS-GFCCVEGCSA-N 2 2 263.345 -0.194 20 0 CBADLP Cc1noc(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)n1 ZINC000362842631 373453316 /nfs/dbraw/zinc/45/33/16/373453316.db2.gz ZYSNGRVVKSPPBW-NSHDSACASA-N 2 2 279.344 -0.226 20 0 CBADLP Cc1noc(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)n1 ZINC000362842631 373453324 /nfs/dbraw/zinc/45/33/24/373453324.db2.gz ZYSNGRVVKSPPBW-NSHDSACASA-N 2 2 279.344 -0.226 20 0 CBADLP CCCNC(=O)C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362826658 373453552 /nfs/dbraw/zinc/45/35/52/373453552.db2.gz PMJYPLDEBFWETH-GFCCVEGCSA-N 2 2 282.388 -0.591 20 0 CBADLP CCCNC(=O)C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362826658 373453564 /nfs/dbraw/zinc/45/35/64/373453564.db2.gz PMJYPLDEBFWETH-GFCCVEGCSA-N 2 2 282.388 -0.591 20 0 CBADLP Cn1nncc1C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362675417 373436593 /nfs/dbraw/zinc/43/65/93/373436593.db2.gz RXYLZBDDAZKHEO-NSHDSACASA-N 2 2 278.360 -0.789 20 0 CBADLP Cn1nncc1C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362675417 373436601 /nfs/dbraw/zinc/43/66/01/373436601.db2.gz RXYLZBDDAZKHEO-NSHDSACASA-N 2 2 278.360 -0.789 20 0 CBADLP CNS(=O)(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000367212312 373535772 /nfs/dbraw/zinc/53/57/72/373535772.db2.gz QAMLYQPNHLYULZ-LLVKDONJSA-N 2 2 290.433 -0.449 20 0 CBADLP CNS(=O)(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000367212312 373535783 /nfs/dbraw/zinc/53/57/83/373535783.db2.gz QAMLYQPNHLYULZ-LLVKDONJSA-N 2 2 290.433 -0.449 20 0 CBADLP CNC(=O)NC(=O)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366558285 373531955 /nfs/dbraw/zinc/53/19/55/373531955.db2.gz KTOJJTMAYGZANB-LBPRGKRZSA-N 2 2 254.334 -0.530 20 0 CBADLP CNC(=O)NC(=O)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366558285 373531962 /nfs/dbraw/zinc/53/19/62/373531962.db2.gz KTOJJTMAYGZANB-LBPRGKRZSA-N 2 2 254.334 -0.530 20 0 CBADLP CNC(=O)NC(=O)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000366558285 373531968 /nfs/dbraw/zinc/53/19/68/373531968.db2.gz KTOJJTMAYGZANB-LBPRGKRZSA-N 2 2 254.334 -0.530 20 0 CBADLP CNC(=O)NC(=O)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000366558285 373531974 /nfs/dbraw/zinc/53/19/74/373531974.db2.gz KTOJJTMAYGZANB-LBPRGKRZSA-N 2 2 254.334 -0.530 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1 ZINC000363301861 373485127 /nfs/dbraw/zinc/48/51/27/373485127.db2.gz DASJGABMQGGURJ-RDBSUJKOSA-N 2 2 297.399 -0.625 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1 ZINC000363301861 373485131 /nfs/dbraw/zinc/48/51/31/373485131.db2.gz DASJGABMQGGURJ-RDBSUJKOSA-N 2 2 297.399 -0.625 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)N(C)CC[NH+]2CCOCC2)C1 ZINC000363261947 373485979 /nfs/dbraw/zinc/48/59/79/373485979.db2.gz STPPELBWMROQGS-ZDUSSCGKSA-N 2 2 285.388 -0.502 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)N(C)CC[NH+]2CCOCC2)C1 ZINC000363261947 373485985 /nfs/dbraw/zinc/48/59/85/373485985.db2.gz STPPELBWMROQGS-ZDUSSCGKSA-N 2 2 285.388 -0.502 20 0 CBADLP CCN1C[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)CC1=O ZINC000391588937 373581219 /nfs/dbraw/zinc/58/12/19/373581219.db2.gz LCXFUSZRYVDBIJ-CMPLNLGQSA-N 2 2 255.362 -0.348 20 0 CBADLP CCN1C[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)CC1=O ZINC000391588937 373581226 /nfs/dbraw/zinc/58/12/26/373581226.db2.gz LCXFUSZRYVDBIJ-CMPLNLGQSA-N 2 2 255.362 -0.348 20 0 CBADLP CN1C(=O)C[C@H]([N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)C1=O ZINC000368322567 373541502 /nfs/dbraw/zinc/54/15/02/373541502.db2.gz VANAOZNWSJMBMP-GWCFXTLKSA-N 2 2 251.330 -0.229 20 0 CBADLP CN1C(=O)C[C@H]([N@H+]2CC[C@]3(CC[NH+](C)C3)C2)C1=O ZINC000368322567 373541510 /nfs/dbraw/zinc/54/15/10/373541510.db2.gz VANAOZNWSJMBMP-GWCFXTLKSA-N 2 2 251.330 -0.229 20 0 CBADLP CN1C(=O)C[C@H]([NH+]2CC[C@]3(CC[N@H+](C)C3)C2)C1=O ZINC000368322567 373541515 /nfs/dbraw/zinc/54/15/15/373541515.db2.gz VANAOZNWSJMBMP-GWCFXTLKSA-N 2 2 251.330 -0.229 20 0 CBADLP CN1C(=O)C[C@H]([NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)C1=O ZINC000368322567 373541520 /nfs/dbraw/zinc/54/15/20/373541520.db2.gz VANAOZNWSJMBMP-GWCFXTLKSA-N 2 2 251.330 -0.229 20 0 CBADLP CC(=O)N(C)CC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369273720 373548298 /nfs/dbraw/zinc/54/82/98/373548298.db2.gz JATLYRNKOBRGSL-CYBMUJFWSA-N 2 2 296.415 -0.251 20 0 CBADLP CC(=O)N(C)CC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369273720 373548303 /nfs/dbraw/zinc/54/83/03/373548303.db2.gz JATLYRNKOBRGSL-CYBMUJFWSA-N 2 2 296.415 -0.251 20 0 CBADLP C[C@@H]1CN(C(=O)[C@H]2C[NH+](C)CCO2)[C@@H](C)C[N@@H+]1CCO ZINC000416285401 373624745 /nfs/dbraw/zinc/62/47/45/373624745.db2.gz CBVBCXHPQFUZBN-FRRDWIJNSA-N 2 2 285.388 -0.770 20 0 CBADLP C[C@@H]1CN(C(=O)[C@H]2C[NH+](C)CCO2)[C@@H](C)C[N@H+]1CCO ZINC000416285401 373624755 /nfs/dbraw/zinc/62/47/55/373624755.db2.gz CBVBCXHPQFUZBN-FRRDWIJNSA-N 2 2 285.388 -0.770 20 0 CBADLP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)[C@@H](C)C[NH+]1CCO ZINC000416285401 373624762 /nfs/dbraw/zinc/62/47/62/373624762.db2.gz CBVBCXHPQFUZBN-FRRDWIJNSA-N 2 2 285.388 -0.770 20 0 CBADLP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)[C@@H](C)C[NH+]1CCO ZINC000416285401 373624770 /nfs/dbraw/zinc/62/47/70/373624770.db2.gz CBVBCXHPQFUZBN-FRRDWIJNSA-N 2 2 285.388 -0.770 20 0 CBADLP [NH3+]CC1(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000414716341 373626794 /nfs/dbraw/zinc/62/67/94/373626794.db2.gz SIJGNEDWKYVASQ-LBPRGKRZSA-N 3 2 266.389 -0.379 20 0 CBADLP [NH3+]CC1(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000414716341 373626803 /nfs/dbraw/zinc/62/68/03/373626803.db2.gz SIJGNEDWKYVASQ-LBPRGKRZSA-N 3 2 266.389 -0.379 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCC(F)(F)C[NH3+] ZINC000418522256 373633093 /nfs/dbraw/zinc/63/30/93/373633093.db2.gz ITEXXLHEHLTHRL-JTQLQIEISA-N 2 2 294.346 -0.058 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCCC[C@H]2C[NH3+])CC1 ZINC000420293969 373649831 /nfs/dbraw/zinc/64/98/31/373649831.db2.gz NWSGVFSPEBEORY-ZDUSSCGKSA-N 3 2 268.405 -0.036 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCCC[C@H]2C[NH3+])CC1 ZINC000420293969 373649845 /nfs/dbraw/zinc/64/98/45/373649845.db2.gz NWSGVFSPEBEORY-ZDUSSCGKSA-N 3 2 268.405 -0.036 20 0 CBADLP C[NH+]1CCN(C(=O)CCN2CCCC[C@H]2C[NH3+])CC1 ZINC000420293969 373649853 /nfs/dbraw/zinc/64/98/53/373649853.db2.gz NWSGVFSPEBEORY-ZDUSSCGKSA-N 2 2 268.405 -0.036 20 0 CBADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493459415 373715400 /nfs/dbraw/zinc/71/54/00/373715400.db2.gz KZSGTUPNWYFCSQ-UFFNRZRYSA-N 2 2 263.345 -0.215 20 0 CBADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493459415 373715407 /nfs/dbraw/zinc/71/54/07/373715407.db2.gz KZSGTUPNWYFCSQ-UFFNRZRYSA-N 2 2 263.345 -0.215 20 0 CBADLP C[N@@H+]1CC[C@@H]2OCCN(C(=O)[C@H]3CC(F)(F)C[NH2+]3)[C@@H]2C1 ZINC000423935063 373662312 /nfs/dbraw/zinc/66/23/12/373662312.db2.gz YDFJFIGVRNKDAP-MXWKQRLJSA-N 2 2 289.326 -0.085 20 0 CBADLP C[N@H+]1CC[C@@H]2OCCN(C(=O)[C@H]3CC(F)(F)C[NH2+]3)[C@@H]2C1 ZINC000423935063 373662315 /nfs/dbraw/zinc/66/23/15/373662315.db2.gz YDFJFIGVRNKDAP-MXWKQRLJSA-N 2 2 289.326 -0.085 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000430895570 373675027 /nfs/dbraw/zinc/67/50/27/373675027.db2.gz UYAZBPOURVLOGH-NWDGAFQWSA-N 2 2 271.361 -0.798 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000430895570 373675033 /nfs/dbraw/zinc/67/50/33/373675033.db2.gz UYAZBPOURVLOGH-NWDGAFQWSA-N 2 2 271.361 -0.798 20 0 CBADLP C[C@@H]1CN(C(=O)[C@H]2CCC[NH+]2C)C[C@H](C)[N@H+]1CCO ZINC000456218771 373693041 /nfs/dbraw/zinc/69/30/41/373693041.db2.gz ZYGSSFXOYOVKGQ-FRRDWIJNSA-N 2 2 269.389 -0.006 20 0 CBADLP C[C@@H]1CN(C(=O)[C@H]2CCC[NH+]2C)C[C@H](C)[N@@H+]1CCO ZINC000456218771 373693050 /nfs/dbraw/zinc/69/30/50/373693050.db2.gz ZYGSSFXOYOVKGQ-FRRDWIJNSA-N 2 2 269.389 -0.006 20 0 CBADLP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H](C)[NH+]1CCO ZINC000456218771 373693054 /nfs/dbraw/zinc/69/30/54/373693054.db2.gz ZYGSSFXOYOVKGQ-FRRDWIJNSA-N 2 2 269.389 -0.006 20 0 CBADLP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H](C)[NH+]1CCO ZINC000456218771 373693061 /nfs/dbraw/zinc/69/30/61/373693061.db2.gz ZYGSSFXOYOVKGQ-FRRDWIJNSA-N 2 2 269.389 -0.006 20 0 CBADLP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493563732 373719893 /nfs/dbraw/zinc/71/98/93/373719893.db2.gz VZTUFEGIINSAHO-QMAVJUDZSA-N 2 2 291.355 -0.121 20 0 CBADLP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493563732 373719895 /nfs/dbraw/zinc/71/98/95/373719895.db2.gz VZTUFEGIINSAHO-QMAVJUDZSA-N 2 2 291.355 -0.121 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H](n3ccnn3)C2)CC1 ZINC000514933338 373770771 /nfs/dbraw/zinc/77/07/71/373770771.db2.gz LCOSKUXFEQUYMF-ZDUSSCGKSA-N 2 2 292.387 -0.311 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H](n3ccnn3)C2)CC1 ZINC000514933338 373770776 /nfs/dbraw/zinc/77/07/76/373770776.db2.gz LCOSKUXFEQUYMF-ZDUSSCGKSA-N 2 2 292.387 -0.311 20 0 CBADLP C[NH+](C)[C@H]1CN(C(=O)/C=C/c2[nH]cc[nH+]2)C[C@@H]1O ZINC000493808215 373730436 /nfs/dbraw/zinc/73/04/36/373730436.db2.gz ZIUMFDMJJIETBO-OHINUGQQSA-N 2 2 250.302 -0.444 20 0 CBADLP C[NH+](C)Cc1cc(CNC(=O)[C@H]([NH3+])CC(N)=O)ccc1F ZINC000353666271 220236219 /nfs/dbraw/zinc/23/62/19/220236219.db2.gz ZIGFOXCEYORVQF-GFCCVEGCSA-N 2 2 296.346 -0.294 20 0 CBADLP CN1C[C@@H](C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)OC1=O ZINC000496701379 373750415 /nfs/dbraw/zinc/75/04/15/373750415.db2.gz UUCMVRVJDOCXIG-JTQLQIEISA-N 2 2 265.317 -0.018 20 0 CBADLP C[C@H](O)C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC000514796949 373764773 /nfs/dbraw/zinc/76/47/73/373764773.db2.gz PAMROIZRCRKEMK-STQMWFEESA-N 2 2 269.389 -0.147 20 0 CBADLP C[C@H](O)C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC000514796949 373764781 /nfs/dbraw/zinc/76/47/81/373764781.db2.gz PAMROIZRCRKEMK-STQMWFEESA-N 2 2 269.389 -0.147 20 0 CBADLP O=C(C[C@H]1C[NH2+]CCO1)NCCNc1cccc[nH+]1 ZINC000516178867 373803972 /nfs/dbraw/zinc/80/39/72/373803972.db2.gz LCBJBLIUJJPNSK-NSHDSACASA-N 2 2 264.329 -0.012 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000516177956 373804688 /nfs/dbraw/zinc/80/46/88/373804688.db2.gz FIORTYCYBJOLMS-GXTWGEPZSA-N 2 2 267.373 -0.223 20 0 CBADLP O=C(C[C@@H]1C[NH2+]CCO1)NCCNc1cccc[nH+]1 ZINC000516178866 373805325 /nfs/dbraw/zinc/80/53/25/373805325.db2.gz LCBJBLIUJJPNSK-LLVKDONJSA-N 2 2 264.329 -0.012 20 0 CBADLP Cn1c[nH+]cc1CCC[N@@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000516191623 373807294 /nfs/dbraw/zinc/80/72/94/373807294.db2.gz SMCVXIZWGFXDFG-LLVKDONJSA-N 2 2 277.328 -0.411 20 0 CBADLP Cn1c[nH+]cc1CCC[N@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000516191623 373807301 /nfs/dbraw/zinc/80/73/01/373807301.db2.gz SMCVXIZWGFXDFG-LLVKDONJSA-N 2 2 277.328 -0.411 20 0 CBADLP O=C(C[NH+]1CCN(c2[nH]cc[nH+]2)CC1)NC1CCOCC1 ZINC000515197711 373778926 /nfs/dbraw/zinc/77/89/26/373778926.db2.gz BAUZNUMTWLFDAI-UHFFFAOYSA-N 2 2 293.371 -0.173 20 0 CBADLP C[C@H]1CN(C(=O)C[NH+]2CC(C)(C)C2)CC[N@@H+]1CCO ZINC000515388327 373786364 /nfs/dbraw/zinc/78/63/64/373786364.db2.gz XZTHQBHOWMZITD-LBPRGKRZSA-N 2 2 269.389 -0.147 20 0 CBADLP C[C@H]1CN(C(=O)C[NH+]2CC(C)(C)C2)CC[N@H+]1CCO ZINC000515388327 373786374 /nfs/dbraw/zinc/78/63/74/373786374.db2.gz XZTHQBHOWMZITD-LBPRGKRZSA-N 2 2 269.389 -0.147 20 0 CBADLP O=C(NC1CCC(N2CC[NH2+]CC2)CC1)[C@H]1CSC[NH2+]1 ZINC000515484660 373789286 /nfs/dbraw/zinc/78/92/86/373789286.db2.gz OKMYGFWJVWCWMM-WXRRBKDZSA-N 2 2 298.456 -0.019 20 0 CBADLP O=C(NC1CCC([NH+]2CCNCC2)CC1)[C@H]1CSC[NH2+]1 ZINC000515484660 373789294 /nfs/dbraw/zinc/78/92/94/373789294.db2.gz OKMYGFWJVWCWMM-WXRRBKDZSA-N 2 2 298.456 -0.019 20 0 CBADLP C[C@H](CC[NH+](C)C)NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000515520871 373791384 /nfs/dbraw/zinc/79/13/84/373791384.db2.gz BEUBQULZEVTXJI-NEPJUHHUSA-N 3 2 271.409 -0.389 20 0 CBADLP C[C@H](CC[NH+](C)C)NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000515520871 373791392 /nfs/dbraw/zinc/79/13/92/373791392.db2.gz BEUBQULZEVTXJI-NEPJUHHUSA-N 3 2 271.409 -0.389 20 0 CBADLP [NH3+][C@@H]1C[C@H]2C[N@H+](CC(=O)NC3CCCCC3)CCN2C1=O ZINC000515500380 373791617 /nfs/dbraw/zinc/79/16/17/373791617.db2.gz LPAKPIIYAOVQAQ-QWHCGFSZSA-N 2 2 294.399 -0.321 20 0 CBADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](CC(=O)NC3CCCCC3)CCN2C1=O ZINC000515500380 373791626 /nfs/dbraw/zinc/79/16/26/373791626.db2.gz LPAKPIIYAOVQAQ-QWHCGFSZSA-N 2 2 294.399 -0.321 20 0 CBADLP C[N@@H+]1CCN(C(=O)CCOC2CCOCC2)[C@@H](C[NH3+])C1 ZINC000515646248 373793552 /nfs/dbraw/zinc/79/35/52/373793552.db2.gz SNSNUPLCJIWUKN-LBPRGKRZSA-N 2 2 285.388 -0.327 20 0 CBADLP C[N@H+]1CCN(C(=O)CCOC2CCOCC2)[C@@H](C[NH3+])C1 ZINC000515646248 373793557 /nfs/dbraw/zinc/79/35/57/373793557.db2.gz SNSNUPLCJIWUKN-LBPRGKRZSA-N 2 2 285.388 -0.327 20 0 CBADLP CN1CC[N@H+](C)[C@@H](CNC(=O)NCC[NH+](C)C2CC2)C1 ZINC000524299528 373883457 /nfs/dbraw/zinc/88/34/57/373883457.db2.gz UKGKRGLHIYMHBX-ZDUSSCGKSA-N 2 2 283.420 -0.374 20 0 CBADLP CN1CC[N@@H+](C)[C@@H](CNC(=O)NCC[NH+](C)C2CC2)C1 ZINC000524299528 373883460 /nfs/dbraw/zinc/88/34/60/373883460.db2.gz UKGKRGLHIYMHBX-ZDUSSCGKSA-N 2 2 283.420 -0.374 20 0 CBADLP CN1CC[NH+](C)[C@@H](CNC(=O)NCC[N@H+](C)C2CC2)C1 ZINC000524299528 373883463 /nfs/dbraw/zinc/88/34/63/373883463.db2.gz UKGKRGLHIYMHBX-ZDUSSCGKSA-N 2 2 283.420 -0.374 20 0 CBADLP CN1CC[NH+](C)[C@@H](CNC(=O)NCC[N@@H+](C)C2CC2)C1 ZINC000524299528 373883467 /nfs/dbraw/zinc/88/34/67/373883467.db2.gz UKGKRGLHIYMHBX-ZDUSSCGKSA-N 2 2 283.420 -0.374 20 0 CBADLP CC(C)[C@H](C)NC(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000521462531 373844829 /nfs/dbraw/zinc/84/48/29/373844829.db2.gz KQGFPWBJNYBELX-SDDRHHMPSA-N 2 2 282.388 -0.609 20 0 CBADLP CC(C)[C@H](C)NC(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000521462531 373844837 /nfs/dbraw/zinc/84/48/37/373844837.db2.gz KQGFPWBJNYBELX-SDDRHHMPSA-N 2 2 282.388 -0.609 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC([C@H](O)C(=O)OC)CC1 ZINC000521893968 373854353 /nfs/dbraw/zinc/85/43/53/373854353.db2.gz DQQCUBUPNXBVOL-STQMWFEESA-N 2 2 288.388 -0.455 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC([C@H](O)C(=O)OC)CC1 ZINC000521893968 373854359 /nfs/dbraw/zinc/85/43/59/373854359.db2.gz DQQCUBUPNXBVOL-STQMWFEESA-N 2 2 288.388 -0.455 20 0 CBADLP C[C@H](C(=O)N1CCCC[C@@H]1C[NH3+])[NH+]1CCN(C)CC1 ZINC000522002313 373856018 /nfs/dbraw/zinc/85/60/18/373856018.db2.gz SBQXLVSGIXRQER-CHWSQXEVSA-N 2 2 268.405 -0.038 20 0 CBADLP CC[C@@H]([NH3+])CNC(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000522000340 373856567 /nfs/dbraw/zinc/85/65/67/373856567.db2.gz ORKDSWLTIGMXBV-SNVBAGLBSA-N 2 2 258.366 -0.704 20 0 CBADLP CC[C@@H]([NH3+])CNC(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000522000340 373856571 /nfs/dbraw/zinc/85/65/71/373856571.db2.gz ORKDSWLTIGMXBV-SNVBAGLBSA-N 2 2 258.366 -0.704 20 0 CBADLP CN1CC[N@H+](C)[C@H](CNC(=O)NC[C@H]2CCC[NH+](C)C2)C1 ZINC000522102672 373861037 /nfs/dbraw/zinc/86/10/37/373861037.db2.gz RJPGIHHWAWBYHK-ZIAGYGMSSA-N 2 2 297.447 -0.127 20 0 CBADLP CN1CC[N@@H+](C)[C@H](CNC(=O)NC[C@H]2CCC[NH+](C)C2)C1 ZINC000522102672 373861045 /nfs/dbraw/zinc/86/10/45/373861045.db2.gz RJPGIHHWAWBYHK-ZIAGYGMSSA-N 2 2 297.447 -0.127 20 0 CBADLP CN1CC[NH+](C)[C@H](CNC(=O)NC[C@H]2CCC[N@H+](C)C2)C1 ZINC000522102672 373861050 /nfs/dbraw/zinc/86/10/50/373861050.db2.gz RJPGIHHWAWBYHK-ZIAGYGMSSA-N 2 2 297.447 -0.127 20 0 CBADLP CN1CC[NH+](C)[C@H](CNC(=O)NC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000522102672 373861059 /nfs/dbraw/zinc/86/10/59/373861059.db2.gz RJPGIHHWAWBYHK-ZIAGYGMSSA-N 2 2 297.447 -0.127 20 0 CBADLP Cc1[nH+]ccn1CCNC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000522102592 373861607 /nfs/dbraw/zinc/86/16/07/373861607.db2.gz BPTDEFNFTCKYLZ-CYBMUJFWSA-N 2 2 294.403 -0.263 20 0 CBADLP Cc1[nH+]ccn1CCNC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000522102592 373861622 /nfs/dbraw/zinc/86/16/22/373861622.db2.gz BPTDEFNFTCKYLZ-CYBMUJFWSA-N 2 2 294.403 -0.263 20 0 CBADLP Cc1[nH+]ccn1CCNC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000522102592 373861632 /nfs/dbraw/zinc/86/16/32/373861632.db2.gz BPTDEFNFTCKYLZ-CYBMUJFWSA-N 2 2 294.403 -0.263 20 0 CBADLP Cc1[nH+]ccn1CCNC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000522102592 373861638 /nfs/dbraw/zinc/86/16/38/373861638.db2.gz BPTDEFNFTCKYLZ-CYBMUJFWSA-N 2 2 294.403 -0.263 20 0 CBADLP Cc1[nH+]ccn1CCNC(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000522102593 373862418 /nfs/dbraw/zinc/86/24/18/373862418.db2.gz BPTDEFNFTCKYLZ-ZDUSSCGKSA-N 2 2 294.403 -0.263 20 0 CBADLP Cc1[nH+]ccn1CCNC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000522102593 373862424 /nfs/dbraw/zinc/86/24/24/373862424.db2.gz BPTDEFNFTCKYLZ-ZDUSSCGKSA-N 2 2 294.403 -0.263 20 0 CBADLP Cc1[nH+]ccn1CCNC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000522102593 373862430 /nfs/dbraw/zinc/86/24/30/373862430.db2.gz BPTDEFNFTCKYLZ-ZDUSSCGKSA-N 2 2 294.403 -0.263 20 0 CBADLP Cc1[nH+]ccn1CCNC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000522102593 373862434 /nfs/dbraw/zinc/86/24/34/373862434.db2.gz BPTDEFNFTCKYLZ-ZDUSSCGKSA-N 2 2 294.403 -0.263 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H](C)[NH+](CCO)C[C@@H]2C)O1 ZINC000527559586 373931537 /nfs/dbraw/zinc/93/15/37/373931537.db2.gz UCKAKJHNEVQTPW-XJFOESAGSA-N 2 2 299.415 -0.381 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H](C)[NH+](CCO)C[C@@H]2C)O1 ZINC000527559586 373931543 /nfs/dbraw/zinc/93/15/43/373931543.db2.gz UCKAKJHNEVQTPW-XJFOESAGSA-N 2 2 299.415 -0.381 20 0 CBADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)O1 ZINC000527559586 373931548 /nfs/dbraw/zinc/93/15/48/373931548.db2.gz UCKAKJHNEVQTPW-XJFOESAGSA-N 2 2 299.415 -0.381 20 0 CBADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)O1 ZINC000527559586 373931552 /nfs/dbraw/zinc/93/15/52/373931552.db2.gz UCKAKJHNEVQTPW-XJFOESAGSA-N 2 2 299.415 -0.381 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000529257856 373997312 /nfs/dbraw/zinc/99/73/12/373997312.db2.gz AMEWIUVABPIQNP-GFCCVEGCSA-N 2 2 282.344 -0.999 20 0 CBADLP COc1cc[nH+]cc1CNC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000529328712 374001966 /nfs/dbraw/zinc/00/19/66/374001966.db2.gz VOOCGVGNQLECBZ-LLVKDONJSA-N 2 2 280.328 -0.122 20 0 CBADLP C(N[C@H](C1CC1)[C@@H]1C[NH2+]CCO1)[C@H]1COCC[NH2+]1 ZINC000530226266 374066640 /nfs/dbraw/zinc/06/66/40/374066640.db2.gz QWDXWBPXMKOMHQ-RWMBFGLXSA-N 2 2 255.362 -0.669 20 0 CBADLP C([NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)[C@H]1COCCN1 ZINC000530226266 374066646 /nfs/dbraw/zinc/06/66/46/374066646.db2.gz QWDXWBPXMKOMHQ-RWMBFGLXSA-N 2 2 255.362 -0.669 20 0 CBADLP C[C@@H](C(=O)N(C)C)[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000530220614 374066748 /nfs/dbraw/zinc/06/67/48/374066748.db2.gz BFDPAKWODPMPRQ-LBPRGKRZSA-N 2 2 297.403 -0.894 20 0 CBADLP O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)C1CC[NH2+]CC1 ZINC000353678717 220250147 /nfs/dbraw/zinc/25/01/47/220250147.db2.gz LUFZJYYEKHRNPB-CYBMUJFWSA-N 2 2 267.373 -0.035 20 0 CBADLP O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)C1CC[NH2+]CC1 ZINC000353678717 220250150 /nfs/dbraw/zinc/25/01/50/220250150.db2.gz LUFZJYYEKHRNPB-CYBMUJFWSA-N 2 2 267.373 -0.035 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N2CC(n3cc[nH+]c3)C2)C1 ZINC000531300196 374129422 /nfs/dbraw/zinc/12/94/22/374129422.db2.gz PNIOWSYQMYKJSM-NSHDSACASA-N 2 2 250.302 -0.403 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N2CC(n3cc[nH+]c3)C2)C1 ZINC000531300196 374129426 /nfs/dbraw/zinc/12/94/26/374129426.db2.gz PNIOWSYQMYKJSM-NSHDSACASA-N 2 2 250.302 -0.403 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCNC(=O)c1cnccn1 ZINC000532220421 374161739 /nfs/dbraw/zinc/16/17/39/374161739.db2.gz YWWUBMURMJHQMF-PWSUYJOCSA-N 2 2 263.345 -0.254 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCNC(=O)c1cnccn1 ZINC000532220421 374161744 /nfs/dbraw/zinc/16/17/44/374161744.db2.gz YWWUBMURMJHQMF-PWSUYJOCSA-N 2 2 263.345 -0.254 20 0 CBADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCNC(=O)c1cnccn1 ZINC000532220419 374161871 /nfs/dbraw/zinc/16/18/71/374161871.db2.gz YWWUBMURMJHQMF-CMPLNLGQSA-N 2 2 263.345 -0.254 20 0 CBADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCNC(=O)c1cnccn1 ZINC000532220419 374161875 /nfs/dbraw/zinc/16/18/75/374161875.db2.gz YWWUBMURMJHQMF-CMPLNLGQSA-N 2 2 263.345 -0.254 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+](CC(N)=O)C(C)(C)C ZINC000562441884 374316883 /nfs/dbraw/zinc/31/68/83/374316883.db2.gz FKWDQCVCLGXKHO-NSHDSACASA-N 2 2 275.393 -0.489 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+](CC(N)=O)C(C)(C)C ZINC000562441884 374316888 /nfs/dbraw/zinc/31/68/88/374316888.db2.gz FKWDQCVCLGXKHO-NSHDSACASA-N 2 2 275.393 -0.489 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+](CC(N)=O)C(C)(C)C ZINC000562441884 374316896 /nfs/dbraw/zinc/31/68/96/374316896.db2.gz FKWDQCVCLGXKHO-NSHDSACASA-N 2 2 275.393 -0.489 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+](CC(N)=O)C(C)(C)C ZINC000562441884 374316901 /nfs/dbraw/zinc/31/69/01/374316901.db2.gz FKWDQCVCLGXKHO-NSHDSACASA-N 2 2 275.393 -0.489 20 0 CBADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CCCCO)C[C@H](C)O1 ZINC000563713214 374325112 /nfs/dbraw/zinc/32/51/12/374325112.db2.gz HDRLDWHYOKENSW-FRRDWIJNSA-N 2 2 260.378 -0.181 20 0 CBADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CCCCO)C[C@H](C)O1 ZINC000563713214 374325116 /nfs/dbraw/zinc/32/51/16/374325116.db2.gz HDRLDWHYOKENSW-FRRDWIJNSA-N 2 2 260.378 -0.181 20 0 CBADLP CCn1cc[nH+]c1CN1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000566491744 374330267 /nfs/dbraw/zinc/33/02/67/374330267.db2.gz XKCDKUBPAAVTDD-WDEREUQCSA-N 2 2 263.345 -0.353 20 0 CBADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)Cn1cccn1 ZINC000566620289 374331055 /nfs/dbraw/zinc/33/10/55/374331055.db2.gz WHVNDFZUVFJKRJ-ZIAGYGMSSA-N 2 2 282.388 -0.320 20 0 CBADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)Cn1cccn1 ZINC000566620289 374331057 /nfs/dbraw/zinc/33/10/57/374331057.db2.gz WHVNDFZUVFJKRJ-ZIAGYGMSSA-N 2 2 282.388 -0.320 20 0 CBADLP COC(=O)CC1(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC1 ZINC000577887106 374345206 /nfs/dbraw/zinc/34/52/06/374345206.db2.gz DYWBKUZYNLICAH-QWRGUYRKSA-N 2 2 281.356 -0.427 20 0 CBADLP COC(=O)CC1(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC1 ZINC000577887106 374345212 /nfs/dbraw/zinc/34/52/12/374345212.db2.gz DYWBKUZYNLICAH-QWRGUYRKSA-N 2 2 281.356 -0.427 20 0 CBADLP C[C@@H](CNC(=O)CC1(C[NH3+])CC1)[NH+]1CCN(C)CC1 ZINC000577846012 374340682 /nfs/dbraw/zinc/34/06/82/374340682.db2.gz SSSMJMQPODDICB-LBPRGKRZSA-N 2 2 268.405 -0.133 20 0 CBADLP C[C@H]([NH3+])c1ccc(CNC(=O)CN2CC[NH2+]CC2=O)cc1 ZINC000583311655 374362076 /nfs/dbraw/zinc/36/20/76/374362076.db2.gz AUQZTWXIZKCNFW-NSHDSACASA-N 2 2 290.367 -0.246 20 0 CBADLP C[C@@H]1COCCN1CC[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000583495025 374362894 /nfs/dbraw/zinc/36/28/94/374362894.db2.gz NVANSKCSRGYGMJ-OCCSQVGLSA-N 2 2 271.405 -0.248 20 0 CBADLP C[C@@H]1COCCN1CC[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000583495025 374362903 /nfs/dbraw/zinc/36/29/03/374362903.db2.gz NVANSKCSRGYGMJ-OCCSQVGLSA-N 2 2 271.405 -0.248 20 0 CBADLP CS(=O)(=O)NCC[NH2+][C@@H]1CCC[C@@H]1[N@@H+]1CC[C@H](O)C1 ZINC000643962075 374464464 /nfs/dbraw/zinc/46/44/64/374464464.db2.gz MUQLMACOPVVJTB-TUAOUCFPSA-N 2 2 291.417 -0.887 20 0 CBADLP CS(=O)(=O)NCC[NH2+][C@@H]1CCC[C@@H]1[N@H+]1CC[C@H](O)C1 ZINC000643962075 374464466 /nfs/dbraw/zinc/46/44/66/374464466.db2.gz MUQLMACOPVVJTB-TUAOUCFPSA-N 2 2 291.417 -0.887 20 0 CBADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]Cc2ccnn2C)C[C@H](C)O1 ZINC000644519077 374589236 /nfs/dbraw/zinc/58/92/36/374589236.db2.gz OVTYUYKRQVTLOK-SCRDCRAPSA-N 2 2 282.388 -0.020 20 0 CBADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]Cc2ccnn2C)C[C@H](C)O1 ZINC000644519077 374589241 /nfs/dbraw/zinc/58/92/41/374589241.db2.gz OVTYUYKRQVTLOK-SCRDCRAPSA-N 2 2 282.388 -0.020 20 0 CBADLP C[C@@H](C[NH2+]C[C@H](O)C[N@H+](C)C1CC1)CN1CC[NH+](C)CC1 ZINC000644562663 374594087 /nfs/dbraw/zinc/59/40/87/374594087.db2.gz CQGOOFIASMIXEX-HOCLYGCPSA-N 3 2 298.475 -0.085 20 0 CBADLP C[C@@H](C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1)CN1CC[NH+](C)CC1 ZINC000644562663 374594103 /nfs/dbraw/zinc/59/41/03/374594103.db2.gz CQGOOFIASMIXEX-HOCLYGCPSA-N 3 2 298.475 -0.085 20 0 CBADLP O[C@H](CN[C@H]1CC[N@H+](CC2CC2)C1)C[NH+]1CCOCC1 ZINC000644556396 374594447 /nfs/dbraw/zinc/59/44/47/374594447.db2.gz DEWWGEJVMKDGLL-LSDHHAIUSA-N 2 2 283.416 -0.247 20 0 CBADLP O[C@H](CN[C@H]1CC[N@@H+](CC2CC2)C1)C[NH+]1CCOCC1 ZINC000644556396 374594455 /nfs/dbraw/zinc/59/44/55/374594455.db2.gz DEWWGEJVMKDGLL-LSDHHAIUSA-N 2 2 283.416 -0.247 20 0 CBADLP C[C@H](C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1)CN1CC[NH+](C)CC1 ZINC000644562661 374595420 /nfs/dbraw/zinc/59/54/20/374595420.db2.gz CQGOOFIASMIXEX-GDBMZVCRSA-N 3 2 298.475 -0.085 20 0 CBADLP C[C@H](C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)CN1CC[NH+](C)CC1 ZINC000644562661 374595425 /nfs/dbraw/zinc/59/54/25/374595425.db2.gz CQGOOFIASMIXEX-GDBMZVCRSA-N 3 2 298.475 -0.085 20 0 CBADLP O[C@@H](CN[C@H]1CC[N@H+](CC2CC2)C1)C[NH+]1CCOCC1 ZINC000644556392 374595568 /nfs/dbraw/zinc/59/55/68/374595568.db2.gz DEWWGEJVMKDGLL-GJZGRUSLSA-N 2 2 283.416 -0.247 20 0 CBADLP O[C@@H](CN[C@H]1CC[N@@H+](CC2CC2)C1)C[NH+]1CCOCC1 ZINC000644556392 374595570 /nfs/dbraw/zinc/59/55/70/374595570.db2.gz DEWWGEJVMKDGLL-GJZGRUSLSA-N 2 2 283.416 -0.247 20 0 CBADLP C[N@H+](C[C@H](O)C[NH2+][C@H]1CC(=O)N(C2CC2)C1)C1CC1 ZINC000644583498 374599723 /nfs/dbraw/zinc/59/97/23/374599723.db2.gz JYKLQDDITXNTDI-GXFFZTMASA-N 2 2 267.373 -0.206 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CC(=O)N(C2CC2)C1)C1CC1 ZINC000644583498 374599728 /nfs/dbraw/zinc/59/97/28/374599728.db2.gz JYKLQDDITXNTDI-GXFFZTMASA-N 2 2 267.373 -0.206 20 0 CBADLP C[C@@H](O)C[NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000644618757 374602753 /nfs/dbraw/zinc/60/27/53/374602753.db2.gz HHOVSMMMFHVPHZ-MNOVXSKESA-N 2 2 266.345 -0.119 20 0 CBADLP COC[C@H](C[NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1)OC ZINC000644618980 374602872 /nfs/dbraw/zinc/60/28/72/374602872.db2.gz HNXYUHGCMHFYDL-XUXIUFHCSA-N 2 2 290.404 -0.293 20 0 CBADLP COC[C@H](C[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1)OC ZINC000644618978 374603148 /nfs/dbraw/zinc/60/31/48/374603148.db2.gz HNXYUHGCMHFYDL-MQYQWHSLSA-N 2 2 290.404 -0.293 20 0 CBADLP CN(C)c1[nH+]cc(C[NH2+]C[C@@H](O)[C@H]2CCOC2)n1C ZINC000644902228 374632004 /nfs/dbraw/zinc/63/20/04/374632004.db2.gz GUDUVJXWJNFPRE-CMPLNLGQSA-N 2 2 268.361 -0.027 20 0 CBADLP CN1C[C@H]2CC[N@H+](CCC(=O)N3CC[NH+](C)CC3)[C@H]2C1 ZINC000644728641 374615047 /nfs/dbraw/zinc/61/50/47/374615047.db2.gz IVAGRZXTJRKHEI-KGLIPLIRSA-N 2 2 280.416 -0.214 20 0 CBADLP CN1C[C@H]2CC[N@@H+](CCC(=O)N3CC[NH+](C)CC3)[C@H]2C1 ZINC000644728641 374615053 /nfs/dbraw/zinc/61/50/53/374615053.db2.gz IVAGRZXTJRKHEI-KGLIPLIRSA-N 2 2 280.416 -0.214 20 0 CBADLP C[N@@H+]1C[C@H]2CCN(CCC(=O)N3CC[NH+](C)CC3)[C@H]2C1 ZINC000644728641 374615062 /nfs/dbraw/zinc/61/50/62/374615062.db2.gz IVAGRZXTJRKHEI-KGLIPLIRSA-N 2 2 280.416 -0.214 20 0 CBADLP C[N@H+]1C[C@H]2CCN(CCC(=O)N3CC[NH+](C)CC3)[C@H]2C1 ZINC000644728641 374615070 /nfs/dbraw/zinc/61/50/70/374615070.db2.gz IVAGRZXTJRKHEI-KGLIPLIRSA-N 2 2 280.416 -0.214 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000645103704 374643962 /nfs/dbraw/zinc/64/39/62/374643962.db2.gz AADLUEQLKSEEGB-OLZOCXBDSA-N 2 2 294.399 -0.591 20 0 CBADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)C2([NH3+])CCC2)CC1 ZINC000646125886 374744648 /nfs/dbraw/zinc/74/46/48/374744648.db2.gz YWUYXODMDHMYIK-UHFFFAOYSA-N 2 2 268.361 -0.724 20 0 CBADLP C[NH+](C)C[C@H](CO)NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000646208764 374756097 /nfs/dbraw/zinc/75/60/97/374756097.db2.gz IGRVVEJNFMZUJS-LLVKDONJSA-N 2 2 289.339 -0.080 20 0 CBADLP C[C@H]1[NH2+]CC[C@H]1C(=O)N(C)CC[NH+]1CCOCC1 ZINC000645886898 374711381 /nfs/dbraw/zinc/71/13/81/374711381.db2.gz IBRSSXKEAJHZKN-VXGBXAGGSA-N 2 2 255.362 -0.225 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)C[C@@H]1CC[NH2+]C1 ZINC000645887026 374711704 /nfs/dbraw/zinc/71/17/04/374711704.db2.gz OTTXGENHIZKCOL-LBPRGKRZSA-N 2 2 255.362 -0.223 20 0 CBADLP CC1(C)COCC[N@@H+]1CCNC(=O)COCC[NH3+] ZINC000645926801 374713480 /nfs/dbraw/zinc/71/34/80/374713480.db2.gz XBUMLFLAEGEDAY-UHFFFAOYSA-N 2 2 259.350 -0.811 20 0 CBADLP CC1(C)COCC[N@H+]1CCNC(=O)COCC[NH3+] ZINC000645926801 374713486 /nfs/dbraw/zinc/71/34/86/374713486.db2.gz XBUMLFLAEGEDAY-UHFFFAOYSA-N 2 2 259.350 -0.811 20 0 CBADLP Cn1cc[nH+]c1CN1CCN(C(=O)COCC[NH3+])CC1 ZINC000645944171 374718073 /nfs/dbraw/zinc/71/80/73/374718073.db2.gz VFRHINTVMXQEGB-UHFFFAOYSA-N 2 2 281.360 -0.960 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)COCC[NH3+])C2)CC1 ZINC000645977911 374721196 /nfs/dbraw/zinc/72/11/96/374721196.db2.gz NBDWSIWJWUMCMC-LBPRGKRZSA-N 3 2 284.404 -0.754 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)COCC[NH3+])C2)CC1 ZINC000645977911 374721202 /nfs/dbraw/zinc/72/12/02/374721202.db2.gz NBDWSIWJWUMCMC-LBPRGKRZSA-N 3 2 284.404 -0.754 20 0 CBADLP CN(CCCN1CC[NH+](C)CC1)C(=O)[C@@H]1C[NH2+]CCO1 ZINC000646061164 374736923 /nfs/dbraw/zinc/73/69/23/374736923.db2.gz LXVJIOOIPNDGAP-ZDUSSCGKSA-N 2 2 284.404 -0.929 20 0 CBADLP CN(CCC[NH+]1CCN(C)CC1)C(=O)[C@@H]1C[NH2+]CCO1 ZINC000646061164 374736930 /nfs/dbraw/zinc/73/69/30/374736930.db2.gz LXVJIOOIPNDGAP-ZDUSSCGKSA-N 2 2 284.404 -0.929 20 0 CBADLP C[NH+]1CCC2(CC1)C[N@@H+]([C@@H]1CCNC1=O)CCO2 ZINC000646104451 374740197 /nfs/dbraw/zinc/74/01/97/374740197.db2.gz DIVWWYBIFGUKKC-LLVKDONJSA-N 2 2 253.346 -0.329 20 0 CBADLP C[NH+]1CCC2(CC1)C[N@H+]([C@@H]1CCNC1=O)CCO2 ZINC000646104451 374740198 /nfs/dbraw/zinc/74/01/98/374740198.db2.gz DIVWWYBIFGUKKC-LLVKDONJSA-N 2 2 253.346 -0.329 20 0 CBADLP C[C@H](NC(=O)c1ccco1)C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000646835445 374823454 /nfs/dbraw/zinc/82/34/54/374823454.db2.gz DCYQAWLLOZLYOR-WDEREUQCSA-N 2 2 294.355 -0.501 20 0 CBADLP C[C@H](NC(=O)c1ccco1)C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000646835445 374823461 /nfs/dbraw/zinc/82/34/61/374823461.db2.gz DCYQAWLLOZLYOR-WDEREUQCSA-N 2 2 294.355 -0.501 20 0 CBADLP CC(C)CN1C[C@@H](C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])CC1=O ZINC000646836360 374824461 /nfs/dbraw/zinc/82/44/61/374824461.db2.gz VIGDLTIIPKKIFG-QWHCGFSZSA-N 2 2 296.415 -0.408 20 0 CBADLP CC(C)CN1C[C@@H](C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])CC1=O ZINC000646836360 374824468 /nfs/dbraw/zinc/82/44/68/374824468.db2.gz VIGDLTIIPKKIFG-QWHCGFSZSA-N 2 2 296.415 -0.408 20 0 CBADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)[C@@H]1C[NH2+]CCO1 ZINC000646265406 374764418 /nfs/dbraw/zinc/76/44/18/374764418.db2.gz WMUPPNXSXGZMLC-RYUDHWBXSA-N 2 2 276.340 -0.235 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000646370775 374774293 /nfs/dbraw/zinc/77/42/93/374774293.db2.gz HRXNIYWJSGKPJW-OLZOCXBDSA-N 2 2 296.415 -0.347 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000646370775 374774299 /nfs/dbraw/zinc/77/42/99/374774299.db2.gz HRXNIYWJSGKPJW-OLZOCXBDSA-N 2 2 296.415 -0.347 20 0 CBADLP Cc1noc(C)c1C[NH+]1CCN(C(=O)COCC[NH3+])CC1 ZINC000646421487 374777799 /nfs/dbraw/zinc/77/77/99/374777799.db2.gz GEOSFGSBJLUSLK-UHFFFAOYSA-N 2 2 296.371 -0.089 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000646996747 374857825 /nfs/dbraw/zinc/85/78/25/374857825.db2.gz WJRKPKGSOKCUFA-NWDGAFQWSA-N 2 2 284.404 -0.171 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000646996747 374857829 /nfs/dbraw/zinc/85/78/29/374857829.db2.gz WJRKPKGSOKCUFA-NWDGAFQWSA-N 2 2 284.404 -0.171 20 0 CBADLP C[C@@H]1CC[N@H+](CC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)C1 ZINC000574582608 335031736 /nfs/dbraw/zinc/03/17/36/335031736.db2.gz JSMLVAAJDXNPOY-HIFRSBDPSA-N 2 2 299.415 -0.472 20 0 CBADLP C[C@@H]1CC[N@@H+](CC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)C1 ZINC000574582608 335031738 /nfs/dbraw/zinc/03/17/38/335031738.db2.gz JSMLVAAJDXNPOY-HIFRSBDPSA-N 2 2 299.415 -0.472 20 0 CBADLP CCN(CC)C(=O)[C@@H](C)[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000051763157 284511837 /nfs/dbraw/zinc/51/18/37/284511837.db2.gz VRKABVIAYQZHHJ-CYBMUJFWSA-N 2 2 298.431 -0.051 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)Cn1cc[nH+]c1 ZINC000574615506 335034020 /nfs/dbraw/zinc/03/40/20/335034020.db2.gz CYCKYAWJVORHHE-NSHDSACASA-N 2 2 252.318 -0.280 20 0 CBADLP CN(C)c1[nH+]cc(CN2CC([N@@H+]3CC[C@@H](O)C3)C2)n1C ZINC000651977425 412847353 /nfs/dbraw/zinc/84/73/53/412847353.db2.gz KAWSXBBHKCUWJQ-CYBMUJFWSA-N 2 2 279.388 -0.263 20 0 CBADLP CN(C)c1[nH+]cc(CN2CC([N@H+]3CC[C@@H](O)C3)C2)n1C ZINC000651977425 412847356 /nfs/dbraw/zinc/84/73/56/412847356.db2.gz KAWSXBBHKCUWJQ-CYBMUJFWSA-N 2 2 279.388 -0.263 20 0 CBADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)[C@@H]1CCC[NH2+]1 ZINC000261697940 190042596 /nfs/dbraw/zinc/04/25/96/190042596.db2.gz LIVNMWCJLPYLJX-ZDUSSCGKSA-N 2 2 293.371 -0.094 20 0 CBADLP Cc1cccn2cc(CNC(=O)[C@H]3C[C@@H](O)C[NH2+]3)[nH+]c12 ZINC000262333680 190053523 /nfs/dbraw/zinc/05/35/23/190053523.db2.gz FIEFWFIDIJJYMG-VXGBXAGGSA-N 2 2 274.324 -0.018 20 0 CBADLP C[NH2+][C@@H](C(=O)N[C@H](C)C[NH+]1CCOCC1)c1cnn(C)c1 ZINC000262532627 190057152 /nfs/dbraw/zinc/05/71/52/190057152.db2.gz MFBZLXHDDCPTFB-DGCLKSJQSA-N 2 2 295.387 -0.483 20 0 CBADLP CC[C@H](CO)[NH+]1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC000355281146 248177209 /nfs/dbraw/zinc/17/72/09/248177209.db2.gz GGNYAJSZUQIXDJ-ZIAGYGMSSA-N 2 2 299.415 -0.378 20 0 CBADLP CC[C@H](CO)[NH+]1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC000355281146 248177213 /nfs/dbraw/zinc/17/72/13/248177213.db2.gz GGNYAJSZUQIXDJ-ZIAGYGMSSA-N 2 2 299.415 -0.378 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](C[C@@H](C)O)CC2)C1 ZINC000356462689 248253195 /nfs/dbraw/zinc/25/31/95/248253195.db2.gz PEBYISMLYQDPBI-CHWSQXEVSA-N 2 2 285.388 -0.768 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](C[C@@H](C)O)CC2)C1 ZINC000356462689 248253198 /nfs/dbraw/zinc/25/31/98/248253198.db2.gz PEBYISMLYQDPBI-CHWSQXEVSA-N 2 2 285.388 -0.768 20 0 CBADLP CN(CC(=O)N1CC[NH+](C)CC1)Cc1[nH+]ccn1C ZINC000356876312 248295838 /nfs/dbraw/zinc/29/58/38/248295838.db2.gz OKKONOWTCUKRSY-UHFFFAOYSA-N 2 2 265.361 -0.374 20 0 CBADLP C[NH2+]CCC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000357234632 248337463 /nfs/dbraw/zinc/33/74/63/248337463.db2.gz CFLOASPBCHBTAU-UHFFFAOYSA-N 2 2 281.360 -0.237 20 0 CBADLP C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357079906 248319874 /nfs/dbraw/zinc/31/98/74/248319874.db2.gz DIUOOFPOAOPYBN-OUAUKWLOSA-N 2 2 280.372 -0.096 20 0 CBADLP C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357079906 248319879 /nfs/dbraw/zinc/31/98/79/248319879.db2.gz DIUOOFPOAOPYBN-OUAUKWLOSA-N 2 2 280.372 -0.096 20 0 CBADLP [NH3+]CCOCCN1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000357090222 248320835 /nfs/dbraw/zinc/32/08/35/248320835.db2.gz ZYDFZONJTVNEBX-UHFFFAOYSA-N 2 2 298.431 -0.408 20 0 CBADLP [NH3+]CCOCCN1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000357090222 248320838 /nfs/dbraw/zinc/32/08/38/248320838.db2.gz ZYDFZONJTVNEBX-UHFFFAOYSA-N 2 2 298.431 -0.408 20 0 CBADLP C[C@@H](C[NH3+])C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000357237803 248336806 /nfs/dbraw/zinc/33/68/06/248336806.db2.gz HJAQMVKTRWLZLI-NSHDSACASA-N 2 2 281.360 -0.251 20 0 CBADLP CCOCCO[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000357380560 248356476 /nfs/dbraw/zinc/35/64/76/248356476.db2.gz IMYZIGQSKHKPOV-CQSZACIVSA-N 2 2 299.415 -0.112 20 0 CBADLP CCOCCO[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000357380560 248356478 /nfs/dbraw/zinc/35/64/78/248356478.db2.gz IMYZIGQSKHKPOV-CQSZACIVSA-N 2 2 299.415 -0.112 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)N(C)[C@H](C)C[NH+]2CCOCC2)C1 ZINC000357510168 248374249 /nfs/dbraw/zinc/37/42/49/248374249.db2.gz CHDWBYDRUJWPBT-KGLIPLIRSA-N 2 2 299.415 -0.114 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)N(C)[C@H](C)C[NH+]2CCOCC2)C1 ZINC000357510168 248374253 /nfs/dbraw/zinc/37/42/53/248374253.db2.gz CHDWBYDRUJWPBT-KGLIPLIRSA-N 2 2 299.415 -0.114 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000357723726 248398260 /nfs/dbraw/zinc/39/82/60/248398260.db2.gz AUINDKCPMMBXGM-WCQYABFASA-N 2 2 281.360 -0.363 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000357723726 248398265 /nfs/dbraw/zinc/39/82/65/248398265.db2.gz AUINDKCPMMBXGM-WCQYABFASA-N 2 2 281.360 -0.363 20 0 CBADLP O=C(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)NCc1cccnc1 ZINC000359316588 248568903 /nfs/dbraw/zinc/56/89/03/248568903.db2.gz XDGSHEYWOKZAIJ-STQMWFEESA-N 2 2 260.341 -0.151 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)/C=C/C[NH+](C)C)CC1 ZINC000265630652 190194990 /nfs/dbraw/zinc/19/49/90/190194990.db2.gz JKRVAXCGIUWBFB-SNAWJCMRSA-N 2 2 282.388 -0.616 20 0 CBADLP COC1(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)CC[NH2+]CC1 ZINC000167693420 284676207 /nfs/dbraw/zinc/67/62/07/284676207.db2.gz PJBQWEGFJUSQPV-OLZOCXBDSA-N 2 2 299.415 -0.020 20 0 CBADLP C[C@H]1CCC[N@H+](Cc2cn(C)c(=O)n(C)c2=O)[C@H]1C[NH3+] ZINC000347080399 218116118 /nfs/dbraw/zinc/11/61/18/218116118.db2.gz XMGDJISRBRQRJG-JQWIXIFHSA-N 2 2 280.372 -0.357 20 0 CBADLP C[C@H]1CCC[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)[C@H]1C[NH3+] ZINC000347080399 218116120 /nfs/dbraw/zinc/11/61/20/218116120.db2.gz XMGDJISRBRQRJG-JQWIXIFHSA-N 2 2 280.372 -0.357 20 0 CBADLP [NH3+]CCC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000347470786 218246687 /nfs/dbraw/zinc/24/66/87/218246687.db2.gz GENFBAHGGTWBOV-UHFFFAOYSA-N 2 2 264.329 -0.117 20 0 CBADLP C[NH2+]CC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000347469848 218247451 /nfs/dbraw/zinc/24/74/51/218247451.db2.gz DOTPXFGZAFBBMJ-UHFFFAOYSA-N 2 2 264.329 -0.246 20 0 CBADLP [NH3+]CCC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000347478234 218250069 /nfs/dbraw/zinc/25/00/69/218250069.db2.gz OXRFOPMSSPEZOE-UHFFFAOYSA-N 2 2 264.329 -0.117 20 0 CBADLP C[C@H]([NH3+])C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000347622555 218294857 /nfs/dbraw/zinc/29/48/57/218294857.db2.gz JLYXJRLSORRDDW-VIFPVBQESA-N 2 2 289.343 -0.641 20 0 CBADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CC[NH3+])CC1 ZINC000347625204 218295036 /nfs/dbraw/zinc/29/50/36/218295036.db2.gz OHOWGADMCBSLQD-UHFFFAOYSA-N 2 2 289.343 -0.639 20 0 CBADLP C[C@@H](C(=O)NC(N)=O)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000266882498 190286981 /nfs/dbraw/zinc/28/69/81/190286981.db2.gz AMNUJNLWTDBZKZ-VIFPVBQESA-N 2 2 280.332 -0.875 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)CC1 ZINC000347764838 218349516 /nfs/dbraw/zinc/34/95/16/218349516.db2.gz AUHWENNXOFAMQD-QWHCGFSZSA-N 2 2 296.415 -0.251 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCC[N@@H+](C)[C@H]2C)CC1 ZINC000347764838 218349517 /nfs/dbraw/zinc/34/95/17/218349517.db2.gz AUHWENNXOFAMQD-QWHCGFSZSA-N 2 2 296.415 -0.251 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N[C@H]2CCC[N@H+](C)[C@H]2C)CC1 ZINC000347764839 218350024 /nfs/dbraw/zinc/35/00/24/218350024.db2.gz AUHWENNXOFAMQD-STQMWFEESA-N 2 2 296.415 -0.251 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N[C@H]2CCC[N@@H+](C)[C@H]2C)CC1 ZINC000347764839 218350025 /nfs/dbraw/zinc/35/00/25/218350025.db2.gz AUHWENNXOFAMQD-STQMWFEESA-N 2 2 296.415 -0.251 20 0 CBADLP CC[N@H+](CCO)CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000347794777 218360299 /nfs/dbraw/zinc/36/02/99/218360299.db2.gz PARZFDCLENOOKO-LBPRGKRZSA-N 2 2 280.372 -0.124 20 0 CBADLP CC[N@@H+](CCO)CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000347794777 218360301 /nfs/dbraw/zinc/36/03/01/218360301.db2.gz PARZFDCLENOOKO-LBPRGKRZSA-N 2 2 280.372 -0.124 20 0 CBADLP CC[N@H+](CCO)CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000347818427 218368272 /nfs/dbraw/zinc/36/82/72/218368272.db2.gz YDUPZJRSBBWJDC-LBPRGKRZSA-N 2 2 280.372 -0.124 20 0 CBADLP CC[N@@H+](CCO)CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000347818427 218368273 /nfs/dbraw/zinc/36/82/73/218368273.db2.gz YDUPZJRSBBWJDC-LBPRGKRZSA-N 2 2 280.372 -0.124 20 0 CBADLP CSCC[C@H]([NH3+])C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000182679242 295604941 /nfs/dbraw/zinc/60/49/41/295604941.db2.gz MKLYMCKBEUWBGW-QWRGUYRKSA-N 2 2 272.418 -0.817 20 0 CBADLP CNC(=O)NC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123486901 207367673 /nfs/dbraw/zinc/36/76/73/207367673.db2.gz JYAKDTRWGLCKGG-UWVGGRQHSA-N 2 2 256.350 -0.144 20 0 CBADLP CNC(=O)NC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123486901 207367678 /nfs/dbraw/zinc/36/76/78/207367678.db2.gz JYAKDTRWGLCKGG-UWVGGRQHSA-N 2 2 256.350 -0.144 20 0 CBADLP CNC(=O)NC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000123486901 207367685 /nfs/dbraw/zinc/36/76/85/207367685.db2.gz JYAKDTRWGLCKGG-UWVGGRQHSA-N 2 2 256.350 -0.144 20 0 CBADLP CNC(=O)NC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000123486901 207367689 /nfs/dbraw/zinc/36/76/89/207367689.db2.gz JYAKDTRWGLCKGG-UWVGGRQHSA-N 2 2 256.350 -0.144 20 0 CBADLP CNC(=O)NC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123486688 207368133 /nfs/dbraw/zinc/36/81/33/207368133.db2.gz JYAKDTRWGLCKGG-ZJUUUORDSA-N 2 2 256.350 -0.144 20 0 CBADLP CNC(=O)NC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123486688 207368138 /nfs/dbraw/zinc/36/81/38/207368138.db2.gz JYAKDTRWGLCKGG-ZJUUUORDSA-N 2 2 256.350 -0.144 20 0 CBADLP CNC(=O)NC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123486688 207368144 /nfs/dbraw/zinc/36/81/44/207368144.db2.gz JYAKDTRWGLCKGG-ZJUUUORDSA-N 2 2 256.350 -0.144 20 0 CBADLP CNC(=O)NC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123486688 207368148 /nfs/dbraw/zinc/36/81/48/207368148.db2.gz JYAKDTRWGLCKGG-ZJUUUORDSA-N 2 2 256.350 -0.144 20 0 CBADLP COCC[NH+]1CCN(C(=O)C[NH2+]C[C@H]2CCCO2)CC1 ZINC000164003708 207397764 /nfs/dbraw/zinc/39/77/64/207397764.db2.gz RRJHYBKQGURPOD-CYBMUJFWSA-N 2 2 285.388 -0.454 20 0 CBADLP CCOCC[NH+]1CCN(C(=O)C[NH2+]C[C@@H]2CCCO2)CC1 ZINC000164464516 207398435 /nfs/dbraw/zinc/39/84/35/207398435.db2.gz NEAVYOSCNKDIOX-AWEZNQCLSA-N 2 2 299.415 -0.064 20 0 CBADLP C[C@H]1CN(C(=O)[C@@H]2CC[NH2+]C2)C[C@@H]1[NH+]1CCOCC1 ZINC000178862183 207425001 /nfs/dbraw/zinc/42/50/01/207425001.db2.gz KLYGZHBWXUPKCB-XQQFMLRXSA-N 2 2 267.373 -0.225 20 0 CBADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](C[C@@H]2CCOC2)C1 ZINC000362827715 296339687 /nfs/dbraw/zinc/33/96/87/296339687.db2.gz UUNBWQNOKYBITD-STQMWFEESA-N 2 2 267.373 -0.081 20 0 CBADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](C[C@@H]2CCOC2)C1 ZINC000362827715 296339689 /nfs/dbraw/zinc/33/96/89/296339689.db2.gz UUNBWQNOKYBITD-STQMWFEESA-N 2 2 267.373 -0.081 20 0 CBADLP O=C(C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1)N1CC[NH2+]CC1 ZINC000423205712 207878562 /nfs/dbraw/zinc/87/85/62/207878562.db2.gz BDXYSCNHOIGTEO-NSHDSACASA-N 2 2 291.355 -0.105 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C[C@@H]1CC[NH2+]C1 ZINC000427288959 208058521 /nfs/dbraw/zinc/05/85/21/208058521.db2.gz RXEVQRYVGYXQHC-RYUDHWBXSA-N 2 2 255.362 -0.177 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)C[C@@H]1CC[NH2+]C1 ZINC000427288959 208058526 /nfs/dbraw/zinc/05/85/26/208058526.db2.gz RXEVQRYVGYXQHC-RYUDHWBXSA-N 2 2 255.362 -0.177 20 0 CBADLP C[C@@H](C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1)[NH+]1CCOCC1 ZINC000427792465 208069416 /nfs/dbraw/zinc/06/94/16/208069416.db2.gz JACUEKMMPJJUPG-RWMBFGLXSA-N 2 2 267.373 -0.273 20 0 CBADLP C[C@@H](C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1)[NH+]1CCOCC1 ZINC000427792465 208069424 /nfs/dbraw/zinc/06/94/24/208069424.db2.gz JACUEKMMPJJUPG-RWMBFGLXSA-N 2 2 267.373 -0.273 20 0 CBADLP CCOCCNC(=O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428037496 208076766 /nfs/dbraw/zinc/07/67/66/208076766.db2.gz UEYZCNFREFOMIE-RYUDHWBXSA-N 2 2 255.362 -0.177 20 0 CBADLP CCOCCNC(=O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428037496 208076772 /nfs/dbraw/zinc/07/67/72/208076772.db2.gz UEYZCNFREFOMIE-RYUDHWBXSA-N 2 2 255.362 -0.177 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)N1CC[NH2+]Cc2ccccc21 ZINC000428897620 208104400 /nfs/dbraw/zinc/10/44/00/208104400.db2.gz HKXKSWQUUWKEFW-UHFFFAOYSA-N 2 2 288.351 -0.445 20 0 CBADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C ZINC000430569344 208164057 /nfs/dbraw/zinc/16/40/57/208164057.db2.gz HMUGBLJEEFYGBA-GWCFXTLKSA-N 2 2 272.393 -0.458 20 0 CBADLP COC[C@@H](C)NC(=O)NC(=O)C[NH2+][C@](C)(C[NH3+])C(C)C ZINC000430559148 208164784 /nfs/dbraw/zinc/16/47/84/208164784.db2.gz SGDRWPJXXKDRLJ-ZWNOBZJWSA-N 2 2 288.392 -0.190 20 0 CBADLP COC[C@H](C)NC(=O)NC(=O)C[N@H+](C)CC(C)(C)C[NH3+] ZINC000430562798 208164853 /nfs/dbraw/zinc/16/48/53/208164853.db2.gz SHDBAPCYAXENKW-JTQLQIEISA-N 2 2 288.392 -0.236 20 0 CBADLP COC[C@H](C)NC(=O)NC(=O)C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430562798 208164858 /nfs/dbraw/zinc/16/48/58/208164858.db2.gz SHDBAPCYAXENKW-JTQLQIEISA-N 2 2 288.392 -0.236 20 0 CBADLP COC[C@H](C)NC(=O)NC(=O)C[NH2+][C@](C)(C[NH3+])C(C)C ZINC000430559146 208165232 /nfs/dbraw/zinc/16/52/32/208165232.db2.gz SGDRWPJXXKDRLJ-GXFFZTMASA-N 2 2 288.392 -0.190 20 0 CBADLP C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C[NH3+])C(=O)N(C)C ZINC000430594293 208167195 /nfs/dbraw/zinc/16/71/95/208167195.db2.gz VFAOOPUUUOWUAW-SNVBAGLBSA-N 2 2 272.393 -0.504 20 0 CBADLP C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C[NH3+])C(=O)N(C)C ZINC000430594293 208167201 /nfs/dbraw/zinc/16/72/01/208167201.db2.gz VFAOOPUUUOWUAW-SNVBAGLBSA-N 2 2 272.393 -0.504 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000430736980 208178040 /nfs/dbraw/zinc/17/80/40/208178040.db2.gz HAYPVGXJLTZFTQ-UONOGXRCSA-N 2 2 296.415 -0.216 20 0 CBADLP CC(C)[C@@H]([NH3+])C(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000430741072 208178893 /nfs/dbraw/zinc/17/88/93/208178893.db2.gz IEVRLJNWDLKRJC-WCQYABFASA-N 2 2 296.415 -0.219 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000430736978 208179660 /nfs/dbraw/zinc/17/96/60/208179660.db2.gz HAYPVGXJLTZFTQ-KGLIPLIRSA-N 2 2 296.415 -0.216 20 0 CBADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@]2(C)CC[NH2+]C2)CC1 ZINC000430799544 208180351 /nfs/dbraw/zinc/18/03/51/208180351.db2.gz LTJSDQDBMHZKFP-CQSZACIVSA-N 2 2 282.388 -0.606 20 0 CBADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)C2(C[NH3+])CCCC2)CC1 ZINC000430798644 208182911 /nfs/dbraw/zinc/18/29/11/208182911.db2.gz JFLCBWYBCCQZGS-UHFFFAOYSA-N 2 2 296.415 -0.086 20 0 CBADLP CC(C)(CNC(=O)COC1C[NH2+]C1)[NH+]1CCOCC1 ZINC000430841782 208184689 /nfs/dbraw/zinc/18/46/89/208184689.db2.gz RPGMNFMIAQTTJH-UHFFFAOYSA-N 2 2 271.361 -0.798 20 0 CBADLP CN(C(=O)[C@@H]1COCC[NH2+]1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000430889246 208186742 /nfs/dbraw/zinc/18/67/42/208186742.db2.gz KMJJLVCEHSEBIU-NEPJUHHUSA-N 2 2 253.346 -0.330 20 0 CBADLP CN(C(=O)[C@@H]1COCC[NH2+]1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000430889246 208186748 /nfs/dbraw/zinc/18/67/48/208186748.db2.gz KMJJLVCEHSEBIU-NEPJUHHUSA-N 2 2 253.346 -0.330 20 0 CBADLP CC1(C)COCC[N@@H+]1CCNC(=O)COC1C[NH2+]C1 ZINC000430874823 208187970 /nfs/dbraw/zinc/18/79/70/208187970.db2.gz IAMUCKUBZJNTEQ-UHFFFAOYSA-N 2 2 271.361 -0.798 20 0 CBADLP CC1(C)COCC[N@H+]1CCNC(=O)COC1C[NH2+]C1 ZINC000430874823 208187976 /nfs/dbraw/zinc/18/79/76/208187976.db2.gz IAMUCKUBZJNTEQ-UHFFFAOYSA-N 2 2 271.361 -0.798 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)NCc1cn2c([nH+]1)CCCC2 ZINC000430909001 208191292 /nfs/dbraw/zinc/19/12/92/208191292.db2.gz YMQZPZSBACRBQO-UHFFFAOYSA-N 2 2 291.355 -0.733 20 0 CBADLP C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000430943278 208192623 /nfs/dbraw/zinc/19/26/23/208192623.db2.gz OLTWHBPHYRNNOK-WDEREUQCSA-N 2 2 282.388 -0.608 20 0 CBADLP C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430943278 208192628 /nfs/dbraw/zinc/19/26/28/208192628.db2.gz OLTWHBPHYRNNOK-WDEREUQCSA-N 2 2 282.388 -0.608 20 0 CBADLP C[NH2+]C[C@@H]1CC[N@@H+]([C@H](C)C(=O)N(C)CC(=O)NC2CC2)C1 ZINC000430951694 208192826 /nfs/dbraw/zinc/19/28/26/208192826.db2.gz WGVKHYJRNOMNCD-NEPJUHHUSA-N 2 2 296.415 -0.347 20 0 CBADLP C[NH2+]C[C@@H]1CC[N@H+]([C@H](C)C(=O)N(C)CC(=O)NC2CC2)C1 ZINC000430951694 208192835 /nfs/dbraw/zinc/19/28/35/208192835.db2.gz WGVKHYJRNOMNCD-NEPJUHHUSA-N 2 2 296.415 -0.347 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H](C[NH3+])C2)CC1 ZINC000430931355 208193271 /nfs/dbraw/zinc/19/32/71/208193271.db2.gz BOXIJEZNBDNCFE-QWHCGFSZSA-N 3 2 268.405 -0.180 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H](C[NH3+])C2)CC1 ZINC000430931355 208193278 /nfs/dbraw/zinc/19/32/78/208193278.db2.gz BOXIJEZNBDNCFE-QWHCGFSZSA-N 3 2 268.405 -0.180 20 0 CBADLP CC(C)([NH3+])C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000431004420 208195520 /nfs/dbraw/zinc/19/55/20/208195520.db2.gz RDXMJWXTRWUGNI-UHFFFAOYSA-N 2 2 251.334 -0.209 20 0 CBADLP Cn1cc(C[NH+]2CCN(C(=O)[C@@H]3CC[NH2+]C3)CC2)cn1 ZINC000431003552 208196298 /nfs/dbraw/zinc/19/62/98/208196298.db2.gz PBMVEFUXBHJGNA-CYBMUJFWSA-N 2 2 277.372 -0.326 20 0 CBADLP C[NH2+]C[C@@H](C)C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000431004806 208197032 /nfs/dbraw/zinc/19/70/32/208197032.db2.gz KCEQKDZAFQPIIB-LLVKDONJSA-N 2 2 265.361 -0.091 20 0 CBADLP C[C@H]1CN(C(=O)COC2C[NH2+]C2)C[C@@H]1[NH+]1CCOCC1 ZINC000431011161 208198315 /nfs/dbraw/zinc/19/83/15/208198315.db2.gz BEZDBPZMDWJCPV-AAEUAGOBSA-N 2 2 283.372 -0.846 20 0 CBADLP CC[NH+]1CCN(CCCCNC(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000431013763 208198715 /nfs/dbraw/zinc/19/87/15/208198715.db2.gz GSEGCAUKZOIECZ-CQSZACIVSA-N 2 2 298.431 -0.491 20 0 CBADLP [NH3+]C1CC[NH+](CCCC(=O)NCC[NH+]2CCOCC2)CC1 ZINC000433175037 208242283 /nfs/dbraw/zinc/24/22/83/208242283.db2.gz LDDXLEBOZOCYEI-UHFFFAOYSA-N 3 2 298.431 -0.362 20 0 CBADLP CN(C)c1nc(N(C)C[C@@H](O)C[NH+]2CCOCC2)cc[nH+]1 ZINC000433784092 208249305 /nfs/dbraw/zinc/24/93/05/208249305.db2.gz UQYGEJSSOHEJQE-GFCCVEGCSA-N 2 2 295.387 -0.328 20 0 CBADLP C[C@H](C(=O)N1CC[NH2+][C@@H](C)[C@H]1C)[NH+]1CCOCC1 ZINC000434704258 208268043 /nfs/dbraw/zinc/26/80/43/208268043.db2.gz XKNBCTIYFMWHPR-QJPTWQEYSA-N 2 2 255.362 -0.084 20 0 CBADLP C[N@H+](CC(=O)NCC(=O)N1CCCC1)[C@H]1CCC[NH2+]CC1 ZINC000435623564 208281761 /nfs/dbraw/zinc/28/17/61/208281761.db2.gz HKVZSGCVRTUVBW-ZDUSSCGKSA-N 2 2 296.415 -0.201 20 0 CBADLP C[N@@H+](CC(=O)NCC(=O)N1CCCC1)[C@H]1CCC[NH2+]CC1 ZINC000435623564 208281766 /nfs/dbraw/zinc/28/17/66/208281766.db2.gz HKVZSGCVRTUVBW-ZDUSSCGKSA-N 2 2 296.415 -0.201 20 0 CBADLP C[NH2+]CCCN1CC[NH+]([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000435872279 208284934 /nfs/dbraw/zinc/28/49/34/208284934.db2.gz NTXROAJNBNFNLT-CQSZACIVSA-N 2 2 298.431 -0.539 20 0 CBADLP CN(CCCCNC(=O)C[NH+](C)C)C(=O)C[NH+](C)C ZINC000440317100 208337590 /nfs/dbraw/zinc/33/75/90/208337590.db2.gz OZOAAWFUSAWUQB-UHFFFAOYSA-N 2 2 272.393 -0.536 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)CCCO)CC1 ZINC000440959363 208347956 /nfs/dbraw/zinc/34/79/56/208347956.db2.gz LJEDDSWEBCDCSE-LBPRGKRZSA-N 2 2 257.378 -0.147 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)CCCO)CC1 ZINC000440959363 208347957 /nfs/dbraw/zinc/34/79/57/208347957.db2.gz LJEDDSWEBCDCSE-LBPRGKRZSA-N 2 2 257.378 -0.147 20 0 CBADLP CCS(=O)(=O)N1CC(C[NH2+][C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC000438902571 208315159 /nfs/dbraw/zinc/31/51/59/208315159.db2.gz GFNSSQMYVPSQES-PWSUYJOCSA-N 2 2 275.418 -0.192 20 0 CBADLP CCS(=O)(=O)N1CC(C[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC000438902571 208315163 /nfs/dbraw/zinc/31/51/63/208315163.db2.gz GFNSSQMYVPSQES-PWSUYJOCSA-N 2 2 275.418 -0.192 20 0 CBADLP CC(C)C[C@H](CNC(=O)C[NH+](C)C)NC(=O)C[NH+](C)C ZINC000442649412 208357731 /nfs/dbraw/zinc/35/77/31/208357731.db2.gz LSENNCMIFKBKRF-GFCCVEGCSA-N 2 2 286.420 -0.243 20 0 CBADLP C[C@H](NC(=O)C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C)C(=O)N(C)C ZINC000442785724 208367028 /nfs/dbraw/zinc/36/70/28/208367028.db2.gz YGCIYKGTYXXHPJ-GARJFASQSA-N 2 2 270.377 -0.752 20 0 CBADLP C[C@H](NC(=O)C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C)C(=O)N(C)C ZINC000442785724 208367032 /nfs/dbraw/zinc/36/70/32/208367032.db2.gz YGCIYKGTYXXHPJ-GARJFASQSA-N 2 2 270.377 -0.752 20 0 CBADLP C[NH+](C)CCN1C[C@H](C(=O)NCc2c[nH+]c[nH]2)CC1=O ZINC000443545850 208391112 /nfs/dbraw/zinc/39/11/12/208391112.db2.gz XSSIPNVYTIRQBP-SNVBAGLBSA-N 2 2 279.344 -0.564 20 0 CBADLP C[NH+](C)CCN1C[C@H](C(=O)NCc2c[nH]c[nH+]2)CC1=O ZINC000443545850 208391114 /nfs/dbraw/zinc/39/11/14/208391114.db2.gz XSSIPNVYTIRQBP-SNVBAGLBSA-N 2 2 279.344 -0.564 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@H](C)CC[NH+]2CCOCC2)C1 ZINC000353761513 220313038 /nfs/dbraw/zinc/31/30/38/220313038.db2.gz UYEQPACMMWLWEO-KGLIPLIRSA-N 2 2 299.415 -0.066 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)N[C@H](C)CC[NH+]2CCOCC2)C1 ZINC000353761513 220313043 /nfs/dbraw/zinc/31/30/43/220313043.db2.gz UYEQPACMMWLWEO-KGLIPLIRSA-N 2 2 299.415 -0.066 20 0 CBADLP CN(C)C(=O)C(C)(C)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000574846385 335052128 /nfs/dbraw/zinc/05/21/28/335052128.db2.gz JNGFKGCPLCJZLI-NSHDSACASA-N 2 2 257.378 -0.102 20 0 CBADLP CN(C)C(=O)C(C)(C)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000574846385 335052129 /nfs/dbraw/zinc/05/21/29/335052129.db2.gz JNGFKGCPLCJZLI-NSHDSACASA-N 2 2 257.378 -0.102 20 0 CBADLP CC[NH+]1CCC([N@H+](C)CC(=O)N[C@@H](C)C(=O)N(C)C)CC1 ZINC000157498340 285186534 /nfs/dbraw/zinc/18/65/34/285186534.db2.gz LXUWYBVPIGXFAD-LBPRGKRZSA-N 2 2 298.431 -0.005 20 0 CBADLP CC[NH+]1CCC([N@@H+](C)CC(=O)N[C@@H](C)C(=O)N(C)C)CC1 ZINC000157498340 285186541 /nfs/dbraw/zinc/18/65/41/285186541.db2.gz LXUWYBVPIGXFAD-LBPRGKRZSA-N 2 2 298.431 -0.005 20 0 CBADLP CCC[N@H+](CC)CCNC(=O)C(=O)NCc1[nH+]ccn1C ZINC000288338567 197054152 /nfs/dbraw/zinc/05/41/52/197054152.db2.gz VPAQQLOIPPXBIE-UHFFFAOYSA-N 2 2 295.387 -0.116 20 0 CBADLP CCC[N@@H+](CC)CCNC(=O)C(=O)NCc1[nH+]ccn1C ZINC000288338567 197054154 /nfs/dbraw/zinc/05/41/54/197054154.db2.gz VPAQQLOIPPXBIE-UHFFFAOYSA-N 2 2 295.387 -0.116 20 0 CBADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](C[C@@H](O)CN2CCOCC2)C1 ZINC000575069160 335061551 /nfs/dbraw/zinc/06/15/51/335061551.db2.gz PPYUSOMCZCCSFQ-KBPBESRZSA-N 2 2 294.399 -0.098 20 0 CBADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](C[C@@H](O)CN2CCOCC2)C1 ZINC000575069160 335061552 /nfs/dbraw/zinc/06/15/52/335061552.db2.gz PPYUSOMCZCCSFQ-KBPBESRZSA-N 2 2 294.399 -0.098 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000094341183 184784264 /nfs/dbraw/zinc/78/42/64/184784264.db2.gz KXPPXPPOEPXEJA-VXGBXAGGSA-N 2 2 284.404 -0.360 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000094341183 184784265 /nfs/dbraw/zinc/78/42/65/184784265.db2.gz KXPPXPPOEPXEJA-VXGBXAGGSA-N 2 2 284.404 -0.360 20 0 CBADLP COC[C@H]([NH3+])C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000375831947 285383939 /nfs/dbraw/zinc/38/39/39/285383939.db2.gz AUHBVFSRIVBJCW-QJPTWQEYSA-N 2 2 271.361 -0.982 20 0 CBADLP C[C@@H]1[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)CCC[N@@H+]1C ZINC000345301549 289058703 /nfs/dbraw/zinc/05/87/03/289058703.db2.gz SVILVGTWJHJCSP-IJLUTSLNSA-N 2 2 255.362 -0.084 20 0 CBADLP C[C@@H]1[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)CCC[N@H+]1C ZINC000345301549 289058705 /nfs/dbraw/zinc/05/87/05/289058705.db2.gz SVILVGTWJHJCSP-IJLUTSLNSA-N 2 2 255.362 -0.084 20 0 CBADLP C[C@@H]1[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CCC[NH+]1C ZINC000345301549 289058707 /nfs/dbraw/zinc/05/87/07/289058707.db2.gz SVILVGTWJHJCSP-IJLUTSLNSA-N 2 2 255.362 -0.084 20 0 CBADLP C[C@@H]1[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CCC[NH+]1C ZINC000345301549 289058710 /nfs/dbraw/zinc/05/87/10/289058710.db2.gz SVILVGTWJHJCSP-IJLUTSLNSA-N 2 2 255.362 -0.084 20 0 CBADLP C[C@H](C(=O)N1CC([NH+](C)C)C1)[NH+]1CCN(C)CC1 ZINC000345291655 298004203 /nfs/dbraw/zinc/00/42/03/298004203.db2.gz BWUPAWDGHXQSSE-LLVKDONJSA-N 2 2 254.378 -0.605 20 0 CBADLP C[C@H](C(=O)NC(C)(C)C)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000515312890 298128918 /nfs/dbraw/zinc/12/89/18/298128918.db2.gz TULWTUQIFDXYAO-OUAUKWLOSA-N 2 2 282.388 -0.467 20 0 CBADLP C[C@H](C(=O)NC(C)(C)C)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000515312890 298128922 /nfs/dbraw/zinc/12/89/22/298128922.db2.gz TULWTUQIFDXYAO-OUAUKWLOSA-N 2 2 282.388 -0.467 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000091134729 286848429 /nfs/dbraw/zinc/84/84/29/286848429.db2.gz KLMBKWZHZBRILF-NWDGAFQWSA-N 2 2 287.429 -0.082 20 0 CBADLP C[C@@H]1CC(O)C[C@@H](C)[NH+]1CC(=O)N1CC[NH+](C)CC1 ZINC000191191858 287230290 /nfs/dbraw/zinc/23/02/90/287230290.db2.gz OOWYXJXPGLCYGW-VXGBXAGGSA-N 2 2 269.389 -0.006 20 0 CBADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)[C@@H]1CCCO1 ZINC000035735743 172388598 /nfs/dbraw/zinc/38/85/98/172388598.db2.gz ZYGZDXAHUMJIBN-RYUDHWBXSA-N 2 2 255.362 -0.083 20 0 CBADLP O=C(NCCC[NH+]1CCOCC1)[C@H]1CSC[NH2+]1 ZINC000037393614 173174454 /nfs/dbraw/zinc/17/44/54/173174454.db2.gz WNLOSIHCNIQCGB-SNVBAGLBSA-N 2 2 259.375 -0.513 20 0 CBADLP CCCNC(=O)[C@H](C)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031548 174025646 /nfs/dbraw/zinc/02/56/46/174025646.db2.gz ZYUUTQQBWXKAFP-NSHDSACASA-N 2 2 270.377 -0.735 20 0 CBADLP CCCNC(=O)[C@H](C)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031548 174025647 /nfs/dbraw/zinc/02/56/47/174025647.db2.gz ZYUUTQQBWXKAFP-NSHDSACASA-N 2 2 270.377 -0.735 20 0 CBADLP CC[C@@H](C)NC(=O)C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031498 174026106 /nfs/dbraw/zinc/02/61/06/174026106.db2.gz ALWFIVXBPMZYQX-LLVKDONJSA-N 2 2 270.377 -0.735 20 0 CBADLP CC[C@@H](C)NC(=O)C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031498 174026107 /nfs/dbraw/zinc/02/61/07/174026107.db2.gz ALWFIVXBPMZYQX-LLVKDONJSA-N 2 2 270.377 -0.735 20 0 CBADLP CCN(CC)C(=O)[C@@H](C)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031585 174026216 /nfs/dbraw/zinc/02/62/16/174026216.db2.gz VOCJWKOECONPBN-GFCCVEGCSA-N 2 2 284.404 -0.393 20 0 CBADLP CCN(CC)C(=O)[C@@H](C)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031585 174026217 /nfs/dbraw/zinc/02/62/17/174026217.db2.gz VOCJWKOECONPBN-GFCCVEGCSA-N 2 2 284.404 -0.393 20 0 CBADLP CC(C)CCNC(=O)[C@@H](C)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031573 174026509 /nfs/dbraw/zinc/02/65/09/174026509.db2.gz MWXZIZXQDXPPQE-CYBMUJFWSA-N 2 2 298.431 -0.099 20 0 CBADLP CC(C)CCNC(=O)[C@@H](C)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031573 174026510 /nfs/dbraw/zinc/02/65/10/174026510.db2.gz MWXZIZXQDXPPQE-CYBMUJFWSA-N 2 2 298.431 -0.099 20 0 CBADLP C[NH2+]C[C@@H]1CCC[N@H+](CC(=O)N2CCOCC2)C1 ZINC000040598570 174349761 /nfs/dbraw/zinc/34/97/61/174349761.db2.gz IRXRBYNVXGAZLK-LBPRGKRZSA-N 2 2 255.362 -0.223 20 0 CBADLP C[NH2+]C[C@@H]1CCC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC000040598570 174349762 /nfs/dbraw/zinc/34/97/62/174349762.db2.gz IRXRBYNVXGAZLK-LBPRGKRZSA-N 2 2 255.362 -0.223 20 0 CBADLP C[NH2+]C[C@@H]1CCC[N@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000040600418 174351170 /nfs/dbraw/zinc/35/11/70/174351170.db2.gz UFNUDDGOKSNJII-JTQLQIEISA-N 2 2 268.361 -0.094 20 0 CBADLP C[NH2+]C[C@@H]1CCC[N@@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000040600418 174351171 /nfs/dbraw/zinc/35/11/71/174351171.db2.gz UFNUDDGOKSNJII-JTQLQIEISA-N 2 2 268.361 -0.094 20 0 CBADLP CC(C)(CNC(=O)[C@H]1C[NH2+]CCO1)[NH+]1CCOCC1 ZINC000043800590 175106125 /nfs/dbraw/zinc/10/61/25/175106125.db2.gz WJZBUNZNYDEPJM-LLVKDONJSA-N 2 2 271.361 -0.798 20 0 CBADLP COC(=O)CC[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000045944571 175387413 /nfs/dbraw/zinc/38/74/13/175387413.db2.gz RBCOVDKJBOYWCZ-UHFFFAOYSA-N 2 2 257.334 -0.745 20 0 CBADLP CCCNC(=O)NC(=O)C[N@@H+]1CC[C@H](C[NH2+]C)C1 ZINC000071147207 176043206 /nfs/dbraw/zinc/04/32/06/176043206.db2.gz UVNAXQNIQWBILK-SNVBAGLBSA-N 2 2 256.350 -0.237 20 0 CBADLP CCCNC(=O)NC(=O)C[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC000071147207 176043207 /nfs/dbraw/zinc/04/32/07/176043207.db2.gz UVNAXQNIQWBILK-SNVBAGLBSA-N 2 2 256.350 -0.237 20 0 CBADLP COc1c[nH+]ccc1N1CC[NH+]([C@H]2COC[C@H]2O)CC1 ZINC000575227955 335084501 /nfs/dbraw/zinc/08/45/01/335084501.db2.gz DIEPKJAYIXNNQO-QWHCGFSZSA-N 2 2 279.340 -0.028 20 0 CBADLP CN(C)c1[nH+]cc(C[NH2+][C@H]2CCC(=O)N(C)C2=O)n1C ZINC000090026755 544437328 /nfs/dbraw/zinc/43/73/28/544437328.db2.gz YPOPESAQUPZZPS-JTQLQIEISA-N 2 2 279.344 -0.277 20 0 CBADLP C[C@H](NC(=O)NCCn1cc[nH+]c1)[C@@H]1C[N@H+](C)CCO1 ZINC000119526932 544449295 /nfs/dbraw/zinc/44/92/95/544449295.db2.gz QCUWLYGVEIFNEA-RYUDHWBXSA-N 2 2 281.360 -0.099 20 0 CBADLP C[C@H](NC(=O)NCCn1cc[nH+]c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000119526932 544449300 /nfs/dbraw/zinc/44/93/00/544449300.db2.gz QCUWLYGVEIFNEA-RYUDHWBXSA-N 2 2 281.360 -0.099 20 0 CBADLP CCc1nn(C)cc1C[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000157894194 544473230 /nfs/dbraw/zinc/47/32/30/544473230.db2.gz JIGUKALRUOBADD-UHFFFAOYSA-N 2 2 279.388 -0.154 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)CC2([NH3+])CCC2)CC1 ZINC000236576600 544504671 /nfs/dbraw/zinc/50/46/71/544504671.db2.gz NVQXHCZBZQGVFW-UHFFFAOYSA-N 2 2 282.388 -0.462 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000236577034 544504931 /nfs/dbraw/zinc/50/49/31/544504931.db2.gz LAXCATATEFEQJD-OLZOCXBDSA-N 2 2 282.388 -0.606 20 0 CBADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CCCO2)C1 ZINC000252790670 544514519 /nfs/dbraw/zinc/51/45/19/544514519.db2.gz SQPFUZPMZSLWCU-QJPTWQEYSA-N 2 2 255.362 -0.049 20 0 CBADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2CCCO2)C1 ZINC000252790670 544514525 /nfs/dbraw/zinc/51/45/25/544514525.db2.gz SQPFUZPMZSLWCU-QJPTWQEYSA-N 2 2 255.362 -0.049 20 0 CBADLP CN1C(=O)CC[C@@H]1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000354479676 544565026 /nfs/dbraw/zinc/56/50/26/544565026.db2.gz ONCHIKJAPAOYJT-CYBMUJFWSA-N 2 2 296.415 -0.251 20 0 CBADLP CNS(=O)(=O)N1CC[NH+](CCn2cc[nH+]c2C)CC1 ZINC000660553336 419408656 /nfs/dbraw/zinc/40/86/56/419408656.db2.gz SXYMNXDGYPGMSA-UHFFFAOYSA-N 2 2 287.389 -0.727 20 0 CBADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CC(=O)N1CCNC1=O)C2 ZINC000660653745 419419954 /nfs/dbraw/zinc/41/99/54/419419954.db2.gz VPNNATIEAWBWQW-CQSZACIVSA-N 2 2 280.372 -0.044 20 0 CBADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CC(=O)N1CCNC1=O)C2 ZINC000660653745 419419967 /nfs/dbraw/zinc/41/99/67/419419967.db2.gz VPNNATIEAWBWQW-CQSZACIVSA-N 2 2 280.372 -0.044 20 0 CBADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CC(=O)N1CCNC1=O)C2 ZINC000660653745 419419976 /nfs/dbraw/zinc/41/99/76/419419976.db2.gz VPNNATIEAWBWQW-CQSZACIVSA-N 2 2 280.372 -0.044 20 0 CBADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CC(=O)N1CCNC1=O)C2 ZINC000660653745 419419985 /nfs/dbraw/zinc/41/99/85/419419985.db2.gz VPNNATIEAWBWQW-CQSZACIVSA-N 2 2 280.372 -0.044 20 0 CBADLP COCCOCC[NH+]1CCN(c2nc(C)[nH+]c(N)n2)CC1 ZINC000631332645 419481092 /nfs/dbraw/zinc/48/10/92/419481092.db2.gz KJRADRQJXQNUBQ-UHFFFAOYSA-N 2 2 296.375 -0.453 20 0 CBADLP Cc1nc(NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)nc(N)[nH+]1 ZINC000631294294 419482361 /nfs/dbraw/zinc/48/23/61/419482361.db2.gz ZCVDUQNHDPHCEK-AOOOYVTPSA-N 2 2 264.333 -0.541 20 0 CBADLP Cc1nc(NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)nc(N)[nH+]1 ZINC000631294294 419482371 /nfs/dbraw/zinc/48/23/71/419482371.db2.gz ZCVDUQNHDPHCEK-AOOOYVTPSA-N 2 2 264.333 -0.541 20 0 CBADLP C[C@@H]([NH3+])[C@H]1CN(C(=O)CCn2cc[nH+]c2)CCO1 ZINC000122779605 419491116 /nfs/dbraw/zinc/49/11/16/419491116.db2.gz DTDSUKVYVKYZFR-GHMZBOCLSA-N 2 2 252.318 -0.152 20 0 CBADLP C[N@@H+]1CCN(C(=O)c2ccc[nH]c2=O)[C@@H](C[NH3+])C1 ZINC000122573119 419491143 /nfs/dbraw/zinc/49/11/43/419491143.db2.gz JTLOOXGSYCKMLD-VIFPVBQESA-N 2 2 250.302 -0.498 20 0 CBADLP C[N@H+]1CCN(C(=O)c2ccc[nH]c2=O)[C@@H](C[NH3+])C1 ZINC000122573119 419491152 /nfs/dbraw/zinc/49/11/52/419491152.db2.gz JTLOOXGSYCKMLD-VIFPVBQESA-N 2 2 250.302 -0.498 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNc1cc(-n2cccn2)nc(N)[nH+]1 ZINC000624621288 419421276 /nfs/dbraw/zinc/42/12/76/419421276.db2.gz YBOMXYWFIRHPBX-SNVBAGLBSA-N 2 2 289.343 -0.013 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNc1cc(-n2cccn2)nc(N)[nH+]1 ZINC000624621288 419421282 /nfs/dbraw/zinc/42/12/82/419421282.db2.gz YBOMXYWFIRHPBX-SNVBAGLBSA-N 2 2 289.343 -0.013 20 0 CBADLP C[C@H](O)CNc1cc(NCC[N@@H+]2CC[C@H](O)C2)nc[nH+]1 ZINC000624773306 419429876 /nfs/dbraw/zinc/42/98/76/419429876.db2.gz GZAOJSDKFRKAFP-QWRGUYRKSA-N 2 2 281.360 -0.252 20 0 CBADLP C[C@H](O)CNc1cc(NCC[N@H+]2CC[C@H](O)C2)nc[nH+]1 ZINC000624773306 419429881 /nfs/dbraw/zinc/42/98/81/419429881.db2.gz GZAOJSDKFRKAFP-QWRGUYRKSA-N 2 2 281.360 -0.252 20 0 CBADLP CC(C)[C@H](CNC(=O)[C@H]1C[NH2+]CCO1)[NH+]1CCN(C)CC1 ZINC000043800552 419431406 /nfs/dbraw/zinc/43/14/06/419431406.db2.gz ZMRUNRHGKRZJQC-UONOGXRCSA-N 2 2 298.431 -0.637 20 0 CBADLP CC(C)[C@H](CNC(=O)[C@H]1C[NH2+]CCO1)N1CC[NH+](C)CC1 ZINC000043800552 419431417 /nfs/dbraw/zinc/43/14/17/419431417.db2.gz ZMRUNRHGKRZJQC-UONOGXRCSA-N 2 2 298.431 -0.637 20 0 CBADLP CC(C)[C@@H](CNC(=O)[C@@H]1C[NH2+]CCO1)[NH+]1CCN(C)CC1 ZINC000043800546 419431888 /nfs/dbraw/zinc/43/18/88/419431888.db2.gz ZMRUNRHGKRZJQC-KGLIPLIRSA-N 2 2 298.431 -0.637 20 0 CBADLP CC(C)[C@@H](CNC(=O)[C@@H]1C[NH2+]CCO1)N1CC[NH+](C)CC1 ZINC000043800546 419431897 /nfs/dbraw/zinc/43/18/97/419431897.db2.gz ZMRUNRHGKRZJQC-KGLIPLIRSA-N 2 2 298.431 -0.637 20 0 CBADLP C[C@@H](NC(=O)N(C)CC1C[NH+](C)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000660933749 419461187 /nfs/dbraw/zinc/46/11/87/419461187.db2.gz FJRMWBPNFCIBLL-YPMHNXCESA-N 2 2 284.404 -0.092 20 0 CBADLP C[C@@H](NC(=O)N(C)CC1C[NH+](C)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000660933749 419461196 /nfs/dbraw/zinc/46/11/96/419461196.db2.gz FJRMWBPNFCIBLL-YPMHNXCESA-N 2 2 284.404 -0.092 20 0 CBADLP C[C@@H]1CCC[N@H+](Cc2cc(=O)n(C)c(=O)n2C)[C@@H]1C[NH3+] ZINC000070178225 419464974 /nfs/dbraw/zinc/46/49/74/419464974.db2.gz OIXRIJZRRKDGQP-ZYHUDNBSSA-N 2 2 280.372 -0.357 20 0 CBADLP C[C@@H]1CCC[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)[C@@H]1C[NH3+] ZINC000070178225 419464981 /nfs/dbraw/zinc/46/49/81/419464981.db2.gz OIXRIJZRRKDGQP-ZYHUDNBSSA-N 2 2 280.372 -0.357 20 0 CBADLP C[C@H]1CCC[N@H+](CCN2C(=O)CNC2=O)[C@@H]1C[NH3+] ZINC000070178316 419466155 /nfs/dbraw/zinc/46/61/55/419466155.db2.gz VOUBJCPCGUCPDI-VHSXEESVSA-N 2 2 254.334 -0.403 20 0 CBADLP C[C@H]1CCC[N@@H+](CCN2C(=O)CNC2=O)[C@@H]1C[NH3+] ZINC000070178316 419466157 /nfs/dbraw/zinc/46/61/57/419466157.db2.gz VOUBJCPCGUCPDI-VHSXEESVSA-N 2 2 254.334 -0.403 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(=O)N(C)CC1 ZINC000661805039 419528101 /nfs/dbraw/zinc/52/81/01/419528101.db2.gz BEMIUWQLHQESSV-LBPRGKRZSA-N 2 2 273.377 -0.910 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC(=O)N(C)CC1 ZINC000661805039 419528109 /nfs/dbraw/zinc/52/81/09/419528109.db2.gz BEMIUWQLHQESSV-LBPRGKRZSA-N 2 2 273.377 -0.910 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC(=O)N(C)CC1 ZINC000661805039 419528115 /nfs/dbraw/zinc/52/81/15/419528115.db2.gz BEMIUWQLHQESSV-LBPRGKRZSA-N 2 2 273.377 -0.910 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC(=O)N(C)CC1 ZINC000661805039 419528119 /nfs/dbraw/zinc/52/81/19/419528119.db2.gz BEMIUWQLHQESSV-LBPRGKRZSA-N 2 2 273.377 -0.910 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](c2nnc(N)o2)C1 ZINC000639820938 419539142 /nfs/dbraw/zinc/53/91/42/419539142.db2.gz FQEOAGJZKFRXEF-QWRGUYRKSA-N 2 2 283.376 0.144 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](c2nnc(N)o2)C1 ZINC000639820938 419539149 /nfs/dbraw/zinc/53/91/49/419539149.db2.gz FQEOAGJZKFRXEF-QWRGUYRKSA-N 2 2 283.376 0.144 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](c2nnc(N)o2)C1 ZINC000639820938 419539157 /nfs/dbraw/zinc/53/91/57/419539157.db2.gz FQEOAGJZKFRXEF-QWRGUYRKSA-N 2 2 283.376 0.144 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](c2nnc(N)o2)C1 ZINC000639820938 419539162 /nfs/dbraw/zinc/53/91/62/419539162.db2.gz FQEOAGJZKFRXEF-QWRGUYRKSA-N 2 2 283.376 0.144 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H]2COC[C@H]2C1 ZINC000662037018 419541352 /nfs/dbraw/zinc/54/13/52/419541352.db2.gz TWKBHAFOYWCMOW-MCIONIFRSA-N 2 2 272.389 -0.106 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H]2COC[C@H]2C1 ZINC000662037018 419541357 /nfs/dbraw/zinc/54/13/57/419541357.db2.gz TWKBHAFOYWCMOW-MCIONIFRSA-N 2 2 272.389 -0.106 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000662037018 419541363 /nfs/dbraw/zinc/54/13/63/419541363.db2.gz TWKBHAFOYWCMOW-MCIONIFRSA-N 2 2 272.389 -0.106 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000662037018 419541371 /nfs/dbraw/zinc/54/13/71/419541371.db2.gz TWKBHAFOYWCMOW-MCIONIFRSA-N 2 2 272.389 -0.106 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NCCn1cc[nH+]c1 ZINC000193207199 419542638 /nfs/dbraw/zinc/54/26/38/419542638.db2.gz DTDZLMUUWYKRQG-GFCCVEGCSA-N 2 2 281.360 -0.097 20 0 CBADLP CN1CC[C@H]([NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)C1=O ZINC000662158342 419554234 /nfs/dbraw/zinc/55/42/34/419554234.db2.gz RJGNEJUXQXRQFZ-OLZOCXBDSA-N 2 2 267.373 -0.252 20 0 CBADLP CN1CC[C@H]([NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)C1=O ZINC000662158342 419554242 /nfs/dbraw/zinc/55/42/42/419554242.db2.gz RJGNEJUXQXRQFZ-OLZOCXBDSA-N 2 2 267.373 -0.252 20 0 CBADLP Cc1nocc1C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000662242722 419557078 /nfs/dbraw/zinc/55/70/78/419557078.db2.gz HFERCXSSMXJBLO-UHFFFAOYSA-N 2 2 252.318 -0.153 20 0 CBADLP Cc1nocc1C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000662242722 419557085 /nfs/dbraw/zinc/55/70/85/419557085.db2.gz HFERCXSSMXJBLO-UHFFFAOYSA-N 2 2 252.318 -0.153 20 0 CBADLP Cc1nc(NC[C@]2(CO)COCC[NH2+]2)c2c([nH+]1)CCCC2 ZINC000641688673 419557393 /nfs/dbraw/zinc/55/73/93/419557393.db2.gz KNLRUYBNVHNLJY-HNNXBMFYSA-N 2 2 292.383 0.427 20 0 CBADLP O=C(CC[C@H]1CC[NH2+]C1)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000394377591 544578854 /nfs/dbraw/zinc/57/88/54/544578854.db2.gz DMIDEXCTFSWMSD-UONOGXRCSA-N 2 2 280.416 -0.118 20 0 CBADLP O=C(CC[C@H]1CC[NH2+]C1)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000394377591 544578857 /nfs/dbraw/zinc/57/88/57/544578857.db2.gz DMIDEXCTFSWMSD-UONOGXRCSA-N 2 2 280.416 -0.118 20 0 CBADLP C[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)[C@H]1CCS(=O)(=O)C1 ZINC000662249210 419561200 /nfs/dbraw/zinc/56/12/00/419561200.db2.gz JPEZFFISRIXFIA-QWRGUYRKSA-N 2 2 274.386 -0.374 20 0 CBADLP C[N@@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)[C@H]1CCS(=O)(=O)C1 ZINC000662249210 419561206 /nfs/dbraw/zinc/56/12/06/419561206.db2.gz JPEZFFISRIXFIA-QWRGUYRKSA-N 2 2 274.386 -0.374 20 0 CBADLP CN(C)C(=O)N1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662251031 419561379 /nfs/dbraw/zinc/56/13/79/419561379.db2.gz WHPLMNHCBSVQFA-GFCCVEGCSA-N 2 2 282.388 -0.193 20 0 CBADLP O=C(CNc1cc[nH+]c(C2CC2)n1)N1CC[NH2+]CC1 ZINC000642994123 419561847 /nfs/dbraw/zinc/56/18/47/419561847.db2.gz NMZFYDNVPYDMPU-UHFFFAOYSA-N 2 2 261.329 0.198 20 0 CBADLP NC(=O)CC[C@H]1CCC[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662253758 419562601 /nfs/dbraw/zinc/56/26/01/419562601.db2.gz KJHONCCOXZTKKA-VXGBXAGGSA-N 2 2 255.362 -0.048 20 0 CBADLP NC(=O)CC[C@H]1CCC[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662253758 419562602 /nfs/dbraw/zinc/56/26/02/419562602.db2.gz KJHONCCOXZTKKA-VXGBXAGGSA-N 2 2 255.362 -0.048 20 0 CBADLP CCNC(=O)N1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662248402 419562960 /nfs/dbraw/zinc/56/29/60/419562960.db2.gz AOPZVYWUNQNSBX-GFCCVEGCSA-N 2 2 282.388 -0.146 20 0 CBADLP CC(=O)NC[C@H]1C[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000662254085 419563317 /nfs/dbraw/zinc/56/33/17/419563317.db2.gz FDLQGWOYTWXTHF-STQMWFEESA-N 2 2 283.372 -0.656 20 0 CBADLP CC(=O)NC[C@H]1C[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000662254085 419563322 /nfs/dbraw/zinc/56/33/22/419563322.db2.gz FDLQGWOYTWXTHF-STQMWFEESA-N 2 2 283.372 -0.656 20 0 CBADLP CC(C)OCCOC[C@H](O)C[N@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC000662255027 419563596 /nfs/dbraw/zinc/56/35/96/419563596.db2.gz VVBNCBYQIQIGSZ-KGLIPLIRSA-N 2 2 290.404 -0.291 20 0 CBADLP CC(C)OCCOC[C@H](O)C[N@@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC000662255027 419563598 /nfs/dbraw/zinc/56/35/98/419563598.db2.gz VVBNCBYQIQIGSZ-KGLIPLIRSA-N 2 2 290.404 -0.291 20 0 CBADLP CC(=O)NC[C@@H]1C[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000662254083 419563619 /nfs/dbraw/zinc/56/36/19/419563619.db2.gz FDLQGWOYTWXTHF-QWHCGFSZSA-N 2 2 283.372 -0.656 20 0 CBADLP CC(=O)NC[C@@H]1C[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000662254083 419563624 /nfs/dbraw/zinc/56/36/24/419563624.db2.gz FDLQGWOYTWXTHF-QWHCGFSZSA-N 2 2 283.372 -0.656 20 0 CBADLP COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662252787 419564122 /nfs/dbraw/zinc/56/41/22/419564122.db2.gz OUDVIVYAWNJDFH-MGPQQGTHSA-N 2 2 299.415 -0.162 20 0 CBADLP COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662252787 419564126 /nfs/dbraw/zinc/56/41/26/419564126.db2.gz OUDVIVYAWNJDFH-MGPQQGTHSA-N 2 2 299.415 -0.162 20 0 CBADLP O=C(CC[C@@H]1CC[NH2+]C1)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000394377593 544578250 /nfs/dbraw/zinc/57/82/50/544578250.db2.gz DMIDEXCTFSWMSD-ZIAGYGMSSA-N 2 2 280.416 -0.118 20 0 CBADLP O=C(CC[C@@H]1CC[NH2+]C1)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000394377593 544578252 /nfs/dbraw/zinc/57/82/52/544578252.db2.gz DMIDEXCTFSWMSD-ZIAGYGMSSA-N 2 2 280.416 -0.118 20 0 CBADLP C[C@@H]1C[NH+](CC(=O)N2CC[NH+](C)CC2)C[C@@H](C)C1O ZINC000661626280 419511831 /nfs/dbraw/zinc/51/18/31/419511831.db2.gz VXHCGTYVFLUPGC-VXGBXAGGSA-N 2 2 269.389 -0.291 20 0 CBADLP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)CN1CC[NH2+]CC1=O ZINC000236910395 419571688 /nfs/dbraw/zinc/57/16/88/419571688.db2.gz SHHYXAFYLFZSKO-CYBMUJFWSA-N 2 2 296.415 -0.201 20 0 CBADLP CC[C@@H]1CCCC[N@H+]1CCNC(=O)CN1CC[NH2+]CC1=O ZINC000236910395 419571697 /nfs/dbraw/zinc/57/16/97/419571697.db2.gz SHHYXAFYLFZSKO-CYBMUJFWSA-N 2 2 296.415 -0.201 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@@H]([NH3+])CC(C)C)CC1 ZINC000236684541 419571769 /nfs/dbraw/zinc/57/17/69/419571769.db2.gz QFPRUCYIZAPHOH-ZDUSSCGKSA-N 2 2 284.404 -0.360 20 0 CBADLP C[C@H]1CCCN(C(=O)C[NH2+]C2(CO)CC[NH2+]CC2)C1 ZINC000662286009 419573011 /nfs/dbraw/zinc/57/30/11/419573011.db2.gz FXMHVDMXIQVBBT-LBPRGKRZSA-N 2 2 269.389 -0.051 20 0 CBADLP CCCCCNC(=O)C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000662285985 419573191 /nfs/dbraw/zinc/57/31/91/419573191.db2.gz DQFYEMCMCFONNI-UHFFFAOYSA-N 2 2 257.378 -0.003 20 0 CBADLP COC[C@@H](C[N@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)OC ZINC000662282677 419573917 /nfs/dbraw/zinc/57/39/17/419573917.db2.gz JBJMJPBMXKIDMY-FRRDWIJNSA-N 2 2 268.361 -0.192 20 0 CBADLP COC[C@@H](C[N@@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)OC ZINC000662282677 419573924 /nfs/dbraw/zinc/57/39/24/419573924.db2.gz JBJMJPBMXKIDMY-FRRDWIJNSA-N 2 2 268.361 -0.192 20 0 CBADLP CC(C)C[C@@H](C[NH+](C)C)NC(=O)CN1CC[NH2+]CC1=O ZINC000236754207 419574493 /nfs/dbraw/zinc/57/44/93/419574493.db2.gz SKBOAHZGOJJHBV-LBPRGKRZSA-N 2 2 284.404 -0.489 20 0 CBADLP c1cnc(N[C@H]2CC[N@@H+](C[C@H]3C[NH2+]CCO3)C2)nc1 ZINC000662282292 419575164 /nfs/dbraw/zinc/57/51/64/419575164.db2.gz FNSDJQIIQZBILV-NWDGAFQWSA-N 2 2 263.345 -0.049 20 0 CBADLP CS(=O)(=O)NCC1CC[NH+](C[C@H]2C[NH2+]CCO2)CC1 ZINC000662278635 419575770 /nfs/dbraw/zinc/57/57/70/419575770.db2.gz JDEYMVXJJDAYHT-GFCCVEGCSA-N 2 2 291.417 -0.764 20 0 CBADLP [NH3+]CC[N@H+](CCCC1CC[NH2+]CC1)C[C@@H](O)CO ZINC000662287457 419577261 /nfs/dbraw/zinc/57/72/61/419577261.db2.gz AIGSVFWMZPMGDB-CYBMUJFWSA-N 3 2 259.394 -0.620 20 0 CBADLP [NH3+]CC[N@@H+](CCCC1CC[NH2+]CC1)C[C@@H](O)CO ZINC000662287457 419577266 /nfs/dbraw/zinc/57/72/66/419577266.db2.gz AIGSVFWMZPMGDB-CYBMUJFWSA-N 3 2 259.394 -0.620 20 0 CBADLP Cn1c2ccccc2[nH+]c1CCN(CC[NH3+])C[C@@H](O)CO ZINC000662287679 419577512 /nfs/dbraw/zinc/57/75/12/419577512.db2.gz GRNYXIJHSFENNL-GFCCVEGCSA-N 2 2 292.383 -0.270 20 0 CBADLP O=C(C[NH2+]C1(CO)CC[NH2+]CC1)NC(C1CC1)C1CC1 ZINC000662286012 419578172 /nfs/dbraw/zinc/57/81/72/419578172.db2.gz OZBLFYTXMXCIKM-UHFFFAOYSA-N 2 2 281.400 -0.005 20 0 CBADLP [NH3+]Cc1nc(C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)cs1 ZINC000394381910 544581291 /nfs/dbraw/zinc/58/12/91/544581291.db2.gz UPCPKCOVOQRJTM-JTQLQIEISA-N 2 2 295.412 -0.279 20 0 CBADLP [NH3+]Cc1nc(C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)cs1 ZINC000394381910 544581296 /nfs/dbraw/zinc/58/12/96/544581296.db2.gz UPCPKCOVOQRJTM-JTQLQIEISA-N 2 2 295.412 -0.279 20 0 CBADLP C[C@H](CNC(=O)CN1CC[NH2+]CC1=O)[N@@H+]1CCC[C@@H](C)C1 ZINC000237566213 419581437 /nfs/dbraw/zinc/58/14/37/419581437.db2.gz ITRXEDOWBYQIDX-CHWSQXEVSA-N 2 2 296.415 -0.345 20 0 CBADLP C[C@H](CNC(=O)CN1CC[NH2+]CC1=O)[N@H+]1CCC[C@@H](C)C1 ZINC000237566213 419581444 /nfs/dbraw/zinc/58/14/44/419581444.db2.gz ITRXEDOWBYQIDX-CHWSQXEVSA-N 2 2 296.415 -0.345 20 0 CBADLP O=C(C[C@H]1CCC[NH2+]1)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000394384396 544581596 /nfs/dbraw/zinc/58/15/96/544581596.db2.gz JCWJRBQURFFMLA-OLZOCXBDSA-N 2 2 266.389 -0.365 20 0 CBADLP O=C(C[C@H]1CCC[NH2+]1)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000394384396 544581597 /nfs/dbraw/zinc/58/15/97/544581597.db2.gz JCWJRBQURFFMLA-OLZOCXBDSA-N 2 2 266.389 -0.365 20 0 CBADLP [NH3+]CC[N@H+](CCC(=O)NC1CCCC1)C[C@H](O)CO ZINC000662289653 419581676 /nfs/dbraw/zinc/58/16/76/419581676.db2.gz UWSTWEHLZJTIQR-LBPRGKRZSA-N 2 2 273.377 -0.951 20 0 CBADLP [NH3+]CC[N@@H+](CCC(=O)NC1CCCC1)C[C@H](O)CO ZINC000662289653 419581685 /nfs/dbraw/zinc/58/16/85/419581685.db2.gz UWSTWEHLZJTIQR-LBPRGKRZSA-N 2 2 273.377 -0.951 20 0 CBADLP C[C@H]([C@H](C)NC(=O)C[NH2+]C[C@H]1CCCO1)[NH+]1CCOCC1 ZINC000237636452 419581851 /nfs/dbraw/zinc/58/18/51/419581851.db2.gz QYZRYGMBTKEVSR-BFHYXJOUSA-N 2 2 299.415 -0.020 20 0 CBADLP C[C@H](CNC(=O)CN1CC[NH2+]CC1=O)C[NH+]1CCCC1 ZINC000237403644 419581934 /nfs/dbraw/zinc/58/19/34/419581934.db2.gz FDBAHENNKXSURF-GFCCVEGCSA-N 2 2 282.388 -0.734 20 0 CBADLP C[C@H]1CCCC[N@@H+]1CCCNC(=O)CN1CC[NH2+]CC1=O ZINC000237503991 419582016 /nfs/dbraw/zinc/58/20/16/419582016.db2.gz PFYWZVIQLZCPNT-ZDUSSCGKSA-N 2 2 296.415 -0.201 20 0 CBADLP C[C@H]1CCCC[N@H+]1CCCNC(=O)CN1CC[NH2+]CC1=O ZINC000237503991 419582020 /nfs/dbraw/zinc/58/20/20/419582020.db2.gz PFYWZVIQLZCPNT-ZDUSSCGKSA-N 2 2 296.415 -0.201 20 0 CBADLP C[C@@H](CNC(=O)CN1CC[NH2+]CC1=O)C[NH+]1CCCC1 ZINC000237544002 419583992 /nfs/dbraw/zinc/58/39/92/419583992.db2.gz FDBAHENNKXSURF-LBPRGKRZSA-N 2 2 282.388 -0.734 20 0 CBADLP [NH3+]C1(CC(=O)NC[C@@H]2CN3CC[N@@H+]2CCC3)CCC1 ZINC000394386888 544582214 /nfs/dbraw/zinc/58/22/14/544582214.db2.gz BHEWQNFAAIERFY-GFCCVEGCSA-N 2 2 266.389 -0.236 20 0 CBADLP [NH3+]C1(CC(=O)NC[C@@H]2CN3CC[N@H+]2CCC3)CCC1 ZINC000394386888 544582217 /nfs/dbraw/zinc/58/22/17/544582217.db2.gz BHEWQNFAAIERFY-GFCCVEGCSA-N 2 2 266.389 -0.236 20 0 CBADLP C[NH+](C)CCC[C@H]1C[N@H+](CCNS(C)(=O)=O)CCO1 ZINC000662320521 419587004 /nfs/dbraw/zinc/58/70/04/419587004.db2.gz CARSBJXJOUXZAN-LBPRGKRZSA-N 2 2 293.433 -0.422 20 0 CBADLP C[NH+](C)CCC[C@H]1C[N@@H+](CCNS(C)(=O)=O)CCO1 ZINC000662320521 419587011 /nfs/dbraw/zinc/58/70/11/419587011.db2.gz CARSBJXJOUXZAN-LBPRGKRZSA-N 2 2 293.433 -0.422 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CC3CC2(C[NH3+])C3)CC1 ZINC000662306372 419587358 /nfs/dbraw/zinc/58/73/58/419587358.db2.gz RBHVYDXIYMZNIQ-UHFFFAOYSA-N 3 2 266.389 -0.426 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@H+]2CC3CC2(C[NH3+])C3)CC1 ZINC000662306372 419587367 /nfs/dbraw/zinc/58/73/67/419587367.db2.gz RBHVYDXIYMZNIQ-UHFFFAOYSA-N 3 2 266.389 -0.426 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2COC(C)(C)C2)CC1 ZINC000396559938 544582890 /nfs/dbraw/zinc/58/28/90/544582890.db2.gz WERDLXCOBDKRAU-LLVKDONJSA-N 2 2 255.362 -0.083 20 0 CBADLP COCC[N@@H+]1CCN(C(=O)[C@H]2COCC[NH2+]2)C[C@@H]1C ZINC000246295926 419592696 /nfs/dbraw/zinc/59/26/96/419592696.db2.gz NQOPGGCUQVCUPM-NWDGAFQWSA-N 2 2 271.361 -0.846 20 0 CBADLP COCC[N@H+]1CCN(C(=O)[C@H]2COCC[NH2+]2)C[C@@H]1C ZINC000246295926 419592706 /nfs/dbraw/zinc/59/27/06/419592706.db2.gz NQOPGGCUQVCUPM-NWDGAFQWSA-N 2 2 271.361 -0.846 20 0 CBADLP CCOCC[N@@H+]1CCN(C(=O)[C@H]2COCC[NH2+]2)C[C@H]1C ZINC000246510823 419593389 /nfs/dbraw/zinc/59/33/89/419593389.db2.gz QOGGWFYLZLAROW-CHWSQXEVSA-N 2 2 285.388 -0.456 20 0 CBADLP CCOCC[N@H+]1CCN(C(=O)[C@H]2COCC[NH2+]2)C[C@H]1C ZINC000246510823 419593396 /nfs/dbraw/zinc/59/33/96/419593396.db2.gz QOGGWFYLZLAROW-CHWSQXEVSA-N 2 2 285.388 -0.456 20 0 CBADLP COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000250372089 419596399 /nfs/dbraw/zinc/59/63/99/419596399.db2.gz PHKPTKPWSOHYLX-NWDGAFQWSA-N 2 2 283.372 -0.260 20 0 CBADLP COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000250372089 419596408 /nfs/dbraw/zinc/59/64/08/419596408.db2.gz PHKPTKPWSOHYLX-NWDGAFQWSA-N 2 2 283.372 -0.260 20 0 CBADLP C[C@@H](C(=O)N1CC[NH2+]C[C@@H]1C)[NH+]1CCN(C)CC1 ZINC000647711374 419639889 /nfs/dbraw/zinc/63/98/89/419639889.db2.gz HZGFAZHSHXRGFS-RYUDHWBXSA-N 2 2 254.378 -0.557 20 0 CBADLP CO[C@@H]1CC[C@@H](C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])C1 ZINC000662427687 419602871 /nfs/dbraw/zinc/60/28/71/419602871.db2.gz APSWYFRXCYKZTC-GRYCIOLGSA-N 2 2 255.362 -0.097 20 0 CBADLP CO[C@@H]1CC[C@@H](C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])C1 ZINC000662427687 419602878 /nfs/dbraw/zinc/60/28/78/419602878.db2.gz APSWYFRXCYKZTC-GRYCIOLGSA-N 2 2 255.362 -0.097 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@](CO)(OC)C1 ZINC000401813912 544585708 /nfs/dbraw/zinc/58/57/08/544585708.db2.gz WESZBTBGXFYXEF-QWHCGFSZSA-N 2 2 260.378 -0.228 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@](CO)(OC)C1 ZINC000401813912 544585712 /nfs/dbraw/zinc/58/57/12/544585712.db2.gz WESZBTBGXFYXEF-QWHCGFSZSA-N 2 2 260.378 -0.228 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@](CO)(OC)C1 ZINC000401813912 544585715 /nfs/dbraw/zinc/58/57/15/544585715.db2.gz WESZBTBGXFYXEF-QWHCGFSZSA-N 2 2 260.378 -0.228 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@](CO)(OC)C1 ZINC000401813912 544585720 /nfs/dbraw/zinc/58/57/20/544585720.db2.gz WESZBTBGXFYXEF-QWHCGFSZSA-N 2 2 260.378 -0.228 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@](CO)(OC)C1 ZINC000401791258 544585873 /nfs/dbraw/zinc/58/58/73/544585873.db2.gz HDLFYFMHVKCOCM-UONOGXRCSA-N 2 2 290.404 -0.601 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@](CO)(OC)C1 ZINC000401791258 544585876 /nfs/dbraw/zinc/58/58/76/544585876.db2.gz HDLFYFMHVKCOCM-UONOGXRCSA-N 2 2 290.404 -0.601 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@](CO)(OC)C1 ZINC000401791258 544585877 /nfs/dbraw/zinc/58/58/77/544585877.db2.gz HDLFYFMHVKCOCM-UONOGXRCSA-N 2 2 290.404 -0.601 20 0 CBADLP O=C(C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)NC[C@H]1CCCO1 ZINC000311823085 419622590 /nfs/dbraw/zinc/62/25/90/419622590.db2.gz FBCHUICXISPBFR-UPJWGTAASA-N 2 2 267.373 -0.035 20 0 CBADLP O=C(C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)NC[C@H]1CCCO1 ZINC000311823085 419622600 /nfs/dbraw/zinc/62/26/00/419622600.db2.gz FBCHUICXISPBFR-UPJWGTAASA-N 2 2 267.373 -0.035 20 0 CBADLP C[NH+](C)CC(=O)N[C@@H]1CCC[C@@H]1NC(=O)C[NH+](C)C ZINC000647620704 419627768 /nfs/dbraw/zinc/62/77/68/419627768.db2.gz ZBSSWKAJNIRNAZ-PHIMTYICSA-N 2 2 270.377 -0.737 20 0 CBADLP C[NH+](C)CC(=O)N[C@]1(C)CCN(C(=O)C[NH+](C)C)C1 ZINC000647728838 419640800 /nfs/dbraw/zinc/64/08/00/419640800.db2.gz MDRPKKLNIDXKIZ-CYBMUJFWSA-N 2 2 270.377 -0.783 20 0 CBADLP CS(=O)(=O)NCC[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647814799 419662015 /nfs/dbraw/zinc/66/20/15/419662015.db2.gz GUYBITQWLTYONC-UHFFFAOYSA-N 2 2 261.391 -0.248 20 0 CBADLP CS(=O)(=O)NCC[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647814799 419662018 /nfs/dbraw/zinc/66/20/18/419662018.db2.gz GUYBITQWLTYONC-UHFFFAOYSA-N 2 2 261.391 -0.248 20 0 CBADLP O=C(C[N@H+](C1CC1)C1CC[NH2+]CC1)N1CCNC(=O)C1 ZINC000647814283 419662988 /nfs/dbraw/zinc/66/29/88/419662988.db2.gz HEDWBMKRILCTGH-UHFFFAOYSA-N 2 2 280.372 -0.839 20 0 CBADLP O=C(C[N@@H+](C1CC1)C1CC[NH2+]CC1)N1CCNC(=O)C1 ZINC000647814283 419662993 /nfs/dbraw/zinc/66/29/93/419662993.db2.gz HEDWBMKRILCTGH-UHFFFAOYSA-N 2 2 280.372 -0.839 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)c2cn(CC[NH3+])nn2)[C@H](C)CO1 ZINC000662635069 419664607 /nfs/dbraw/zinc/66/46/07/419664607.db2.gz UZNPRDOPBLMKBL-GHMZBOCLSA-N 2 2 296.375 -0.924 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)c2cn(CC[NH3+])nn2)[C@H](C)CO1 ZINC000662635069 419664612 /nfs/dbraw/zinc/66/46/12/419664612.db2.gz UZNPRDOPBLMKBL-GHMZBOCLSA-N 2 2 296.375 -0.924 20 0 CBADLP [NH3+]Cc1nnc(-c2ccc(NC(=O)C3(O)C[NH2+]C3)cc2)[nH]1 ZINC000662770592 419714306 /nfs/dbraw/zinc/71/43/06/419714306.db2.gz BIHPWYCOOBUSDD-UHFFFAOYSA-N 2 2 288.311 -0.797 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NCC1([NH3+])CCCC1 ZINC000662649655 419667577 /nfs/dbraw/zinc/66/75/77/419667577.db2.gz VTMMOSCUFJOXQM-UHFFFAOYSA-N 2 2 284.404 -0.170 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NCC1([NH3+])CCCC1 ZINC000662649655 419667583 /nfs/dbraw/zinc/66/75/83/419667583.db2.gz VTMMOSCUFJOXQM-UHFFFAOYSA-N 2 2 284.404 -0.170 20 0 CBADLP C[NH2+]CC1CC[NH+](CC(=O)Nc2ccon2)CC1 ZINC000647837440 419668687 /nfs/dbraw/zinc/66/86/87/419668687.db2.gz JHZZYWUAIZJZKJ-UHFFFAOYSA-N 2 2 252.318 0.545 20 0 CBADLP C[C@@H]([NH3+])[C@@H]1C[N@H+](CCC(=O)N2CCOCC2)CCO1 ZINC000647863018 419671971 /nfs/dbraw/zinc/67/19/71/419671971.db2.gz WSPPBDKXFMAYMN-NEPJUHHUSA-N 2 2 271.361 -0.717 20 0 CBADLP C[C@@H]([NH3+])[C@@H]1C[N@@H+](CCC(=O)N2CCOCC2)CCO1 ZINC000647863018 419671977 /nfs/dbraw/zinc/67/19/77/419671977.db2.gz WSPPBDKXFMAYMN-NEPJUHHUSA-N 2 2 271.361 -0.717 20 0 CBADLP CC1(C)CC[NH2+][C@H]1C(=O)NCC[NH+]1CCOCC1 ZINC000662659305 419673276 /nfs/dbraw/zinc/67/32/76/419673276.db2.gz RJZNIZIZXVZQGO-NSHDSACASA-N 2 2 255.362 -0.177 20 0 CBADLP CCC(CC)[C@H](CNC(=O)C1(O)C[NH2+]C1)[NH+]1CCOCC1 ZINC000662673880 419677045 /nfs/dbraw/zinc/67/70/45/419677045.db2.gz ROQVSFIKACAJBX-ZDUSSCGKSA-N 2 2 299.415 -0.426 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@@H]2[NH2+]CCC2(C)C)CC1 ZINC000662679833 419682335 /nfs/dbraw/zinc/68/23/35/419682335.db2.gz CMDQVGSNFSKJHQ-ZDUSSCGKSA-N 2 2 296.415 -0.345 20 0 CBADLP CNS(=O)(=O)[C@H]1CCC[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647885860 419685199 /nfs/dbraw/zinc/68/51/99/419685199.db2.gz YZHMUBVGDDUNKV-MNOVXSKESA-N 2 2 261.391 -0.391 20 0 CBADLP CNS(=O)(=O)[C@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647885860 419685201 /nfs/dbraw/zinc/68/52/01/419685201.db2.gz YZHMUBVGDDUNKV-MNOVXSKESA-N 2 2 261.391 -0.391 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1C[C@@H]2COC[C@@]2(C)C1 ZINC000662692333 419685542 /nfs/dbraw/zinc/68/55/42/419685542.db2.gz WGNYWOYDGSXECG-NTZNESFSSA-N 2 2 255.362 -0.240 20 0 CBADLP CCN1C(=O)[C@H]2C[N@H+](C[C@H]3CC[NH2+]C3)CCN2C1=O ZINC000647891467 419689059 /nfs/dbraw/zinc/68/90/59/419689059.db2.gz HTJFOSZVSRCEQH-WDEREUQCSA-N 2 2 266.345 -0.436 20 0 CBADLP CCN1C(=O)[C@H]2C[N@@H+](C[C@H]3CC[NH2+]C3)CCN2C1=O ZINC000647891467 419689064 /nfs/dbraw/zinc/68/90/64/419689064.db2.gz HTJFOSZVSRCEQH-WDEREUQCSA-N 2 2 266.345 -0.436 20 0 CBADLP CC[C@@H]1C[N@H+](CCNS(=O)(=O)CC)CC[C@H]1[NH3+] ZINC000647937353 419691791 /nfs/dbraw/zinc/69/17/91/419691791.db2.gz WMEKSOONXCHAKN-GHMZBOCLSA-N 2 2 263.407 -0.015 20 0 CBADLP CC[C@@H]1C[N@@H+](CCNS(=O)(=O)CC)CC[C@H]1[NH3+] ZINC000647937353 419691797 /nfs/dbraw/zinc/69/17/97/419691797.db2.gz WMEKSOONXCHAKN-GHMZBOCLSA-N 2 2 263.407 -0.015 20 0 CBADLP CCC[N@@H+]1CC[C@H](NC(=O)CN2CC[NH2+]CC2=O)C1 ZINC000662704019 419692772 /nfs/dbraw/zinc/69/27/72/419692772.db2.gz RQSNFRPPNYCQGD-NSHDSACASA-N 2 2 268.361 -0.981 20 0 CBADLP CCC[N@H+]1CC[C@H](NC(=O)CN2CC[NH2+]CC2=O)C1 ZINC000662704019 419692775 /nfs/dbraw/zinc/69/27/75/419692775.db2.gz RQSNFRPPNYCQGD-NSHDSACASA-N 2 2 268.361 -0.981 20 0 CBADLP CO[C@@H](C[NH3+])CC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000662704205 419695236 /nfs/dbraw/zinc/69/52/36/419695236.db2.gz WIJCNFKYEUFCPO-CQSZACIVSA-N 2 2 299.415 -0.079 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NCC12CC(C1)C[NH2+]2 ZINC000662718184 419699630 /nfs/dbraw/zinc/69/96/30/419699630.db2.gz VWXZMSKBMUYAAA-UHFFFAOYSA-N 2 2 282.388 -0.689 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NCC12CC(C1)C[NH2+]2 ZINC000662718184 419699634 /nfs/dbraw/zinc/69/96/34/419699634.db2.gz VWXZMSKBMUYAAA-UHFFFAOYSA-N 2 2 282.388 -0.689 20 0 CBADLP C[N@H+](CCN1CCCS1(=O)=O)C[C@@H]1CC[NH2+]C1 ZINC000647995403 419707503 /nfs/dbraw/zinc/70/75/03/419707503.db2.gz VPYRLSWZVFYNPT-LLVKDONJSA-N 2 2 261.391 -0.437 20 0 CBADLP C[N@@H+](CCN1CCCS1(=O)=O)C[C@@H]1CC[NH2+]C1 ZINC000647995403 419707507 /nfs/dbraw/zinc/70/75/07/419707507.db2.gz VPYRLSWZVFYNPT-LLVKDONJSA-N 2 2 261.391 -0.437 20 0 CBADLP COC[C@@]1(C(=O)N(C)Cc2c[nH+]c[nH]2)CC[NH2+]C1 ZINC000662586465 419646830 /nfs/dbraw/zinc/64/68/30/419646830.db2.gz VDXCYTVKWPTRPJ-GFCCVEGCSA-N 2 2 252.318 -0.006 20 0 CBADLP COC[C@@]1(C(=O)N(C)Cc2c[nH]c[nH+]2)CC[NH2+]C1 ZINC000662586465 419646845 /nfs/dbraw/zinc/64/68/45/419646845.db2.gz VDXCYTVKWPTRPJ-GFCCVEGCSA-N 2 2 252.318 -0.006 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000331058294 419654583 /nfs/dbraw/zinc/65/45/83/419654583.db2.gz RHBGRZPIXIWMHQ-UHFFFAOYSA-N 2 2 284.404 -0.347 20 0 CBADLP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)CN2CC[NH2+]CC2=O)C1 ZINC000662621505 419655846 /nfs/dbraw/zinc/65/58/46/419655846.db2.gz IOGWFAANKYXHFG-NSHDSACASA-N 2 2 282.388 -0.593 20 0 CBADLP CC(C)(C)[N@H+]1CC[C@H](NC(=O)CN2CC[NH2+]CC2=O)C1 ZINC000662621505 419655850 /nfs/dbraw/zinc/65/58/50/419655850.db2.gz IOGWFAANKYXHFG-NSHDSACASA-N 2 2 282.388 -0.593 20 0 CBADLP COCC[NH2+]CC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000662630687 419657945 /nfs/dbraw/zinc/65/79/45/419657945.db2.gz MOWGUHQXJXQCIP-NWDGAFQWSA-N 2 2 273.377 -0.552 20 0 CBADLP COCC[NH2+]CC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000662630687 419657951 /nfs/dbraw/zinc/65/79/51/419657951.db2.gz MOWGUHQXJXQCIP-NWDGAFQWSA-N 2 2 273.377 -0.552 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)COCC[NH3+])[C@@H](C)CO1 ZINC000662629750 419658656 /nfs/dbraw/zinc/65/86/56/419658656.db2.gz HBBKRCXVKLZRLW-WDEREUQCSA-N 2 2 259.350 -0.813 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)COCC[NH3+])[C@@H](C)CO1 ZINC000662629750 419658662 /nfs/dbraw/zinc/65/86/62/419658662.db2.gz HBBKRCXVKLZRLW-WDEREUQCSA-N 2 2 259.350 -0.813 20 0 CBADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)COC1CC[NH2+]CC1 ZINC000662632991 419659046 /nfs/dbraw/zinc/65/90/46/419659046.db2.gz IDDMZSPRLBDEMX-OLZOCXBDSA-N 2 2 299.415 -0.020 20 0 CBADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)COC1CC[NH2+]CC1 ZINC000662632991 419659056 /nfs/dbraw/zinc/65/90/56/419659056.db2.gz IDDMZSPRLBDEMX-OLZOCXBDSA-N 2 2 299.415 -0.020 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)COC2CC[NH2+]CC2)[C@H](C)CO1 ZINC000662632989 419659480 /nfs/dbraw/zinc/65/94/80/419659480.db2.gz IDDMZSPRLBDEMX-CHWSQXEVSA-N 2 2 299.415 -0.020 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)COC2CC[NH2+]CC2)[C@H](C)CO1 ZINC000662632989 419659488 /nfs/dbraw/zinc/65/94/88/419659488.db2.gz IDDMZSPRLBDEMX-CHWSQXEVSA-N 2 2 299.415 -0.020 20 0 CBADLP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000662632681 419659517 /nfs/dbraw/zinc/65/95/17/419659517.db2.gz SQYVUVDOSVAVSK-STQMWFEESA-N 3 2 270.421 -0.016 20 0 CBADLP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000662632681 419659522 /nfs/dbraw/zinc/65/95/22/419659522.db2.gz SQYVUVDOSVAVSK-STQMWFEESA-N 3 2 270.421 -0.016 20 0 CBADLP C[NH2+]C[C@@H](C)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000662633241 419659623 /nfs/dbraw/zinc/65/96/23/419659623.db2.gz JMIMUUVEMGCEPE-GFCCVEGCSA-N 3 2 258.410 -0.158 20 0 CBADLP C[NH2+]C[C@@H](C)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000662633241 419659631 /nfs/dbraw/zinc/65/96/31/419659631.db2.gz JMIMUUVEMGCEPE-GFCCVEGCSA-N 3 2 258.410 -0.158 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CCC[NH2+]2)[C@H](C)CO1 ZINC000662631777 419659834 /nfs/dbraw/zinc/65/98/34/419659834.db2.gz VHQBZSVKLDQRHB-UTUOFQBUSA-N 2 2 255.362 -0.036 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2CCC[NH2+]2)[C@H](C)CO1 ZINC000662631777 419659839 /nfs/dbraw/zinc/65/98/39/419659839.db2.gz VHQBZSVKLDQRHB-UTUOFQBUSA-N 2 2 255.362 -0.036 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C[C@H]1CC[NH2+]C1 ZINC000662633225 419660209 /nfs/dbraw/zinc/66/02/09/419660209.db2.gz YABKFYNIEJLBMI-CYBMUJFWSA-N 3 2 270.421 -0.014 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C[C@H]1CC[NH2+]C1 ZINC000662633225 419660214 /nfs/dbraw/zinc/66/02/14/419660214.db2.gz YABKFYNIEJLBMI-CYBMUJFWSA-N 3 2 270.421 -0.014 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000662629935 419660512 /nfs/dbraw/zinc/66/05/12/419660512.db2.gz BJMQZRPTXJTJCL-ZFWWWQNUSA-N 3 2 282.432 -0.014 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000662629935 419660520 /nfs/dbraw/zinc/66/05/20/419660520.db2.gz BJMQZRPTXJTJCL-ZFWWWQNUSA-N 3 2 282.432 -0.014 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000662836987 419742936 /nfs/dbraw/zinc/74/29/36/419742936.db2.gz FPYOJRCZZKAHBR-OLZOCXBDSA-N 2 2 294.399 -0.449 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000662836987 419742939 /nfs/dbraw/zinc/74/29/39/419742939.db2.gz FPYOJRCZZKAHBR-OLZOCXBDSA-N 2 2 294.399 -0.449 20 0 CBADLP CC[C@@H]([NH2+]C)C(=O)N1CC[NH+](CCOCCOC)CC1 ZINC000662833331 419743777 /nfs/dbraw/zinc/74/37/77/419743777.db2.gz NPWCXSRFLQEHDH-CYBMUJFWSA-N 2 2 287.404 -0.208 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000662857986 419751675 /nfs/dbraw/zinc/75/16/75/419751675.db2.gz SCIDWYKFCRNRJQ-STQMWFEESA-N 3 2 286.420 -0.650 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000662857986 419751682 /nfs/dbraw/zinc/75/16/82/419751682.db2.gz SCIDWYKFCRNRJQ-STQMWFEESA-N 3 2 286.420 -0.650 20 0 CBADLP COC[C@]1(C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)CCC[NH2+]1 ZINC000662858408 419752246 /nfs/dbraw/zinc/75/22/46/419752246.db2.gz GVTCOYRBUMXSGB-NFAWXSAZSA-N 2 2 299.415 -0.020 20 0 CBADLP COC[C@]1(C(=O)NCC[N@H+]2C[C@@H](C)OC[C@H]2C)CCC[NH2+]1 ZINC000662858408 419752250 /nfs/dbraw/zinc/75/22/50/419752250.db2.gz GVTCOYRBUMXSGB-NFAWXSAZSA-N 2 2 299.415 -0.020 20 0 CBADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000662860904 419756398 /nfs/dbraw/zinc/75/63/98/419756398.db2.gz VHQBZSVKLDQRHB-WOPDTQHZSA-N 2 2 255.362 -0.036 20 0 CBADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000662860904 419756404 /nfs/dbraw/zinc/75/64/04/419756404.db2.gz VHQBZSVKLDQRHB-WOPDTQHZSA-N 2 2 255.362 -0.036 20 0 CBADLP [NH3+][C@H]1C[C@H](C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000662870354 419757168 /nfs/dbraw/zinc/75/71/68/419757168.db2.gz FGMFQAQYUYGAIM-IJLUTSLNSA-N 2 2 253.346 -0.343 20 0 CBADLP C[C@@H](C(=O)N1CC2CC1(C[NH3+])C2)[NH+]1CCN(C)CC1 ZINC000662875272 419759681 /nfs/dbraw/zinc/75/96/81/419759681.db2.gz IBFRIXKTZOCELX-DCBWTQNWSA-N 2 2 266.389 -0.428 20 0 CBADLP [NH3+]CC1(CC(=O)NC[C@@H]2CN3CC[N@@H+]2CCC3)CC1 ZINC000662906410 419768264 /nfs/dbraw/zinc/76/82/64/419768264.db2.gz KAQZVCMSWJSLOC-GFCCVEGCSA-N 2 2 266.389 -0.379 20 0 CBADLP [NH3+]CC1(CC(=O)NC[C@@H]2CN3CC[N@H+]2CCC3)CC1 ZINC000662906410 419768267 /nfs/dbraw/zinc/76/82/67/419768267.db2.gz KAQZVCMSWJSLOC-GFCCVEGCSA-N 2 2 266.389 -0.379 20 0 CBADLP CN(CCC[NH3+])C(=O)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000662936965 419783414 /nfs/dbraw/zinc/78/34/14/419783414.db2.gz NVAJFPNTRAPVPQ-UHFFFAOYSA-N 2 2 293.371 -0.077 20 0 CBADLP CN(CCC[NH3+])C(=O)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000662936965 419783417 /nfs/dbraw/zinc/78/34/17/419783417.db2.gz NVAJFPNTRAPVPQ-UHFFFAOYSA-N 2 2 293.371 -0.077 20 0 CBADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000662787565 419721850 /nfs/dbraw/zinc/72/18/50/419721850.db2.gz RBJSAMSENZCPPT-HAQNSBGRSA-N 2 2 282.388 -0.606 20 0 CBADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000662787565 419721861 /nfs/dbraw/zinc/72/18/61/419721861.db2.gz RBJSAMSENZCPPT-HAQNSBGRSA-N 2 2 282.388 -0.606 20 0 CBADLP C[NH+](C)[C@H]1CN(C(=O)NCCCCn2cc[nH+]c2)C[C@@H]1O ZINC000663770157 419858893 /nfs/dbraw/zinc/85/88/93/419858893.db2.gz PPALONKKIUJRSU-STQMWFEESA-N 2 2 295.387 -0.020 20 0 CBADLP Cc1cc(NCCC[N@@H+]2CCC[C@H]2C(N)=O)nc[nH+]1 ZINC000352968224 419833123 /nfs/dbraw/zinc/83/31/23/419833123.db2.gz IHEPZFLWFSNXMF-NSHDSACASA-N 2 2 263.345 0.537 20 0 CBADLP Cc1cc(NCCC[N@H+]2CCC[C@H]2C(N)=O)nc[nH+]1 ZINC000352968224 419833128 /nfs/dbraw/zinc/83/31/28/419833128.db2.gz IHEPZFLWFSNXMF-NSHDSACASA-N 2 2 263.345 0.537 20 0 CBADLP COC[C@@H]([NH3+])C(=O)NCCCNc1ccc(C)c[nH+]1 ZINC000354068457 419844256 /nfs/dbraw/zinc/84/42/56/419844256.db2.gz OTMPIBQGYYTBAQ-LLVKDONJSA-N 2 2 266.345 0.282 20 0 CBADLP Cc1nc(N(C)C)nc(NCCOCC[NH+](C)C)[nH+]1 ZINC000354063781 419845658 /nfs/dbraw/zinc/84/56/58/419845658.db2.gz CRIQWOMFHLUMLW-UHFFFAOYSA-N 2 2 268.365 0.236 20 0 CBADLP Cc1nc(NCCOCC[NH+](C)C)nc(N(C)C)[nH+]1 ZINC000354063781 419845665 /nfs/dbraw/zinc/84/56/65/419845665.db2.gz CRIQWOMFHLUMLW-UHFFFAOYSA-N 2 2 268.365 0.236 20 0 CBADLP CC[N@H+](CCO)CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000649216169 419850873 /nfs/dbraw/zinc/85/08/73/419850873.db2.gz VKSZDQOJVQBTNX-LBPRGKRZSA-N 2 2 280.372 -0.124 20 0 CBADLP CC[N@@H+](CCO)CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000649216169 419850877 /nfs/dbraw/zinc/85/08/77/419850877.db2.gz VKSZDQOJVQBTNX-LBPRGKRZSA-N 2 2 280.372 -0.124 20 0 CBADLP CN(Cc1c[nH+]c[nH]1)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000662948191 419789709 /nfs/dbraw/zinc/78/97/09/419789709.db2.gz HIKOEYJQYTZTHA-VIFPVBQESA-N 2 2 265.317 -0.682 20 0 CBADLP CN(Cc1c[nH]c[nH+]1)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000662948191 419789715 /nfs/dbraw/zinc/78/97/15/419789715.db2.gz HIKOEYJQYTZTHA-VIFPVBQESA-N 2 2 265.317 -0.682 20 0 CBADLP C[NH2+]C[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000662966656 419795489 /nfs/dbraw/zinc/79/54/89/419795489.db2.gz UCEBEGOBOMYKPO-VIFPVBQESA-N 2 2 260.301 0.000 20 0 CBADLP C[NH2+]C[C@H](C)NC(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000662966965 419795845 /nfs/dbraw/zinc/79/58/45/419795845.db2.gz WFSFZRJWXNMWPD-ZDUSSCGKSA-N 2 2 291.399 -0.072 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N[C@@H](C)CC[NH+](C)C)CC1 ZINC000355290239 419867017 /nfs/dbraw/zinc/86/70/17/419867017.db2.gz FYCWZOIVKFXSLS-LBPRGKRZSA-N 2 2 284.404 -0.393 20 0 CBADLP CC1(OCC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C[NH2+]C1 ZINC000649303691 419870383 /nfs/dbraw/zinc/87/03/83/419870383.db2.gz SYLQIJCQXHCPDT-ZDUSSCGKSA-N 2 2 297.399 -0.312 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)[C@H]2[NH2+]CC2(C)C)CCO1 ZINC000649312003 419872984 /nfs/dbraw/zinc/87/29/84/419872984.db2.gz BHBMRHGIFSQFTC-WDEREUQCSA-N 2 2 255.362 -0.179 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)[C@H]2[NH2+]CC2(C)C)CCO1 ZINC000649312003 419872990 /nfs/dbraw/zinc/87/29/90/419872990.db2.gz BHBMRHGIFSQFTC-WDEREUQCSA-N 2 2 255.362 -0.179 20 0 CBADLP CC1(OCC(=O)NCC[N@@H+]2CCOC(C)(C)C2)C[NH2+]C1 ZINC000649312168 419875119 /nfs/dbraw/zinc/87/51/19/419875119.db2.gz WEJYKHMRVDBVKL-UHFFFAOYSA-N 2 2 285.388 -0.408 20 0 CBADLP CC1(OCC(=O)NCC[N@H+]2CCOC(C)(C)C2)C[NH2+]C1 ZINC000649312168 419875123 /nfs/dbraw/zinc/87/51/23/419875123.db2.gz WEJYKHMRVDBVKL-UHFFFAOYSA-N 2 2 285.388 -0.408 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)COC2(C)C[NH2+]C2)CCO1 ZINC000649312138 419875189 /nfs/dbraw/zinc/87/51/89/419875189.db2.gz SMFAQGVWVCLSAK-NSHDSACASA-N 2 2 271.361 -0.798 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)COC2(C)C[NH2+]C2)CCO1 ZINC000649312138 419875195 /nfs/dbraw/zinc/87/51/95/419875195.db2.gz SMFAQGVWVCLSAK-NSHDSACASA-N 2 2 271.361 -0.798 20 0 CBADLP CC1(C)C[N@H+](CCNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CCO1 ZINC000649312155 419875579 /nfs/dbraw/zinc/87/55/79/419875579.db2.gz UWUXKGUBCTUZJW-UTUOFQBUSA-N 2 2 267.373 -0.036 20 0 CBADLP CC1(C)C[N@@H+](CCNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CCO1 ZINC000649312155 419875584 /nfs/dbraw/zinc/87/55/84/419875584.db2.gz UWUXKGUBCTUZJW-UTUOFQBUSA-N 2 2 267.373 -0.036 20 0 CBADLP C[C@@H](NC(=O)COC1(C)C[NH2+]C1)[C@@H](C)[NH+]1CCOCC1 ZINC000649323314 419886895 /nfs/dbraw/zinc/88/68/95/419886895.db2.gz VTPKMUJBIOIKTC-VXGBXAGGSA-N 2 2 285.388 -0.410 20 0 CBADLP C[C@H](NC(=O)COC1(C)C[NH2+]C1)[C@H](C)[NH+]1CCOCC1 ZINC000649323313 419887970 /nfs/dbraw/zinc/88/79/70/419887970.db2.gz VTPKMUJBIOIKTC-RYUDHWBXSA-N 2 2 285.388 -0.410 20 0 CBADLP C[C@@H](NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)[C@@H](C)[NH+]1CCOCC1 ZINC000649323292 419889244 /nfs/dbraw/zinc/88/92/44/419889244.db2.gz SXEMNPPNMPKVFK-KVSVUVNWSA-N 2 2 267.373 -0.323 20 0 CBADLP Cn1cc(C(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C)cn1 ZINC000664332352 419898708 /nfs/dbraw/zinc/89/87/08/419898708.db2.gz XRJZZLDKUFKCBC-UHFFFAOYSA-N 2 2 295.387 -0.398 20 0 CBADLP Cn1cc(C(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cn1 ZINC000664332352 419898714 /nfs/dbraw/zinc/89/87/14/419898714.db2.gz XRJZZLDKUFKCBC-UHFFFAOYSA-N 2 2 295.387 -0.398 20 0 CBADLP CNS(=O)(=O)[C@H]1CC[N@H+](Cc2c[nH+]c(C)n2C)C1 ZINC000667708653 544672422 /nfs/dbraw/zinc/67/24/22/544672422.db2.gz IWSFMJJYVNVUIU-NSHDSACASA-N 2 2 272.374 -0.148 20 0 CBADLP CNS(=O)(=O)[C@H]1CC[N@@H+](Cc2c[nH+]c(C)n2C)C1 ZINC000667708653 544672425 /nfs/dbraw/zinc/67/24/25/544672425.db2.gz IWSFMJJYVNVUIU-NSHDSACASA-N 2 2 272.374 -0.148 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CO[C@H](C3CC3)C2)CC1 ZINC000667813693 544674012 /nfs/dbraw/zinc/67/40/12/544674012.db2.gz WWVPDLLWZJQJKZ-OLZOCXBDSA-N 2 2 267.373 -0.083 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000667813692 544674065 /nfs/dbraw/zinc/67/40/65/544674065.db2.gz WWVPDLLWZJQJKZ-CHWSQXEVSA-N 2 2 267.373 -0.083 20 0 CBADLP C[C@H](C[NH+](C)C)NC(=O)N(C)CC[NH+]1CCOCC1 ZINC000358535753 419902698 /nfs/dbraw/zinc/90/26/98/419902698.db2.gz XVBATMXRSDNBHN-GFCCVEGCSA-N 2 2 272.393 -0.090 20 0 CBADLP CCC[N@H+](C)CC(=O)N1CCC[NH+](CC(=O)NCC)CC1 ZINC000358599390 419907397 /nfs/dbraw/zinc/90/73/97/419907397.db2.gz MIGPOVBANHHTME-UHFFFAOYSA-N 2 2 298.431 -0.001 20 0 CBADLP CCC[N@@H+](C)CC(=O)N1CCC[NH+](CC(=O)NCC)CC1 ZINC000358599390 419907403 /nfs/dbraw/zinc/90/74/03/419907403.db2.gz MIGPOVBANHHTME-UHFFFAOYSA-N 2 2 298.431 -0.001 20 0 CBADLP CCC[NH+](C)CC(=O)N1CCC[N@H+](CC(=O)NCC)CC1 ZINC000358599390 419907407 /nfs/dbraw/zinc/90/74/07/419907407.db2.gz MIGPOVBANHHTME-UHFFFAOYSA-N 2 2 298.431 -0.001 20 0 CBADLP CCC[NH+](C)CC(=O)N1CCC[N@@H+](CC(=O)NCC)CC1 ZINC000358599390 419907412 /nfs/dbraw/zinc/90/74/12/419907412.db2.gz MIGPOVBANHHTME-UHFFFAOYSA-N 2 2 298.431 -0.001 20 0 CBADLP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCc2[nH+]ccn2C)C1 ZINC000668811973 544723325 /nfs/dbraw/zinc/72/33/25/544723325.db2.gz GXEZKUSRJYFUGU-LLVKDONJSA-N 2 2 293.371 -0.363 20 0 CBADLP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCc2[nH+]ccn2C)C1 ZINC000668811973 544723328 /nfs/dbraw/zinc/72/33/28/544723328.db2.gz GXEZKUSRJYFUGU-LLVKDONJSA-N 2 2 293.371 -0.363 20 0 CBADLP CC(C)NC(=O)CN1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000649411046 419910235 /nfs/dbraw/zinc/91/02/35/419910235.db2.gz JHDBUHKTFYNUMT-CYBMUJFWSA-N 2 2 268.405 -0.262 20 0 CBADLP CC(C)NC(=O)C[NH+]1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000649411046 419910240 /nfs/dbraw/zinc/91/02/40/419910240.db2.gz JHDBUHKTFYNUMT-CYBMUJFWSA-N 2 2 268.405 -0.262 20 0 CBADLP Cc1[nH+]cc(C[NH2+]CCNS(=O)(=O)N(C)C)n1C ZINC000668147648 544686477 /nfs/dbraw/zinc/68/64/77/544686477.db2.gz PTNNBJYTALKVPZ-UHFFFAOYSA-N 2 2 275.378 -0.786 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)CCC[NH3+])CC1 ZINC000649410056 419911005 /nfs/dbraw/zinc/91/10/05/419911005.db2.gz KKGAEBOPNMSHBN-GFCCVEGCSA-N 3 2 256.394 -0.180 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)CCC[NH3+])CC1 ZINC000649410056 419911007 /nfs/dbraw/zinc/91/10/07/419911007.db2.gz KKGAEBOPNMSHBN-GFCCVEGCSA-N 3 2 256.394 -0.180 20 0 CBADLP Cn1ccnc(N2CC[NH+](C[C@@H]3CC[NH2+]C3)CC2)c1=O ZINC000649413782 419911044 /nfs/dbraw/zinc/91/10/44/419911044.db2.gz DJEWDLGRHKBIPU-GFCCVEGCSA-N 2 2 277.372 -0.488 20 0 CBADLP CN(C)C(=O)C[NH+]1CCN(C[C@H]2CCC[N@@H+]2C)CC1 ZINC000649483033 419915975 /nfs/dbraw/zinc/91/59/75/419915975.db2.gz ZDBNTRJCQDTQKH-CYBMUJFWSA-N 2 2 268.405 -0.214 20 0 CBADLP CCN(C(=O)C(=O)NCCn1cc[nH+]c1)[C@@H]1CC[N@H+](C)C1 ZINC000668375645 544698425 /nfs/dbraw/zinc/69/84/25/544698425.db2.gz NJQFVNGEVWWLNN-GFCCVEGCSA-N 2 2 293.371 -0.448 20 0 CBADLP CCN(C(=O)C(=O)NCCn1cc[nH+]c1)[C@@H]1CC[N@@H+](C)C1 ZINC000668375645 544698429 /nfs/dbraw/zinc/69/84/29/544698429.db2.gz NJQFVNGEVWWLNN-GFCCVEGCSA-N 2 2 293.371 -0.448 20 0 CBADLP CN(C)C(=O)C[NH+]1CCN(C[C@H]2CCC[N@H+]2C)CC1 ZINC000649483033 419915979 /nfs/dbraw/zinc/91/59/79/419915979.db2.gz ZDBNTRJCQDTQKH-CYBMUJFWSA-N 2 2 268.405 -0.214 20 0 CBADLP C[NH+](C)C1(C(=O)N2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000668379814 544699800 /nfs/dbraw/zinc/69/98/00/544699800.db2.gz NBZGKNKYHPRJTR-UHFFFAOYSA-N 2 2 269.389 -0.004 20 0 CBADLP COC[C@@H](OC)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000668638913 544711784 /nfs/dbraw/zinc/71/17/84/544711784.db2.gz COHIJFZIDHVQMZ-GXTWGEPZSA-N 2 2 299.415 -0.068 20 0 CBADLP COC[C@@H](OC)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000668638913 544711790 /nfs/dbraw/zinc/71/17/90/544711790.db2.gz COHIJFZIDHVQMZ-GXTWGEPZSA-N 2 2 299.415 -0.068 20 0 CBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CCNC1=O ZINC000668687095 544715188 /nfs/dbraw/zinc/71/51/88/544715188.db2.gz GLPBBDNUFCNMSK-ZDUSSCGKSA-N 2 2 296.415 -0.393 20 0 CBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CCNC1=O ZINC000668687095 544715194 /nfs/dbraw/zinc/71/51/94/544715194.db2.gz GLPBBDNUFCNMSK-ZDUSSCGKSA-N 2 2 296.415 -0.393 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000669461666 544749025 /nfs/dbraw/zinc/74/90/25/544749025.db2.gz JYDNCTJBDAIVCX-XQQFMLRXSA-N 2 2 282.388 -0.290 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000669461666 544749027 /nfs/dbraw/zinc/74/90/27/544749027.db2.gz JYDNCTJBDAIVCX-XQQFMLRXSA-N 2 2 282.388 -0.290 20 0 CBADLP C[N@@H+]1CCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)[C@@H](C[NH3+])C1 ZINC000669512560 544750591 /nfs/dbraw/zinc/75/05/91/544750591.db2.gz AFKIIJIWRHTUBC-WOPDTQHZSA-N 3 2 254.378 -0.395 20 0 CBADLP C[N@H+]1CCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)[C@@H](C[NH3+])C1 ZINC000669512560 544750596 /nfs/dbraw/zinc/75/05/96/544750596.db2.gz AFKIIJIWRHTUBC-WOPDTQHZSA-N 3 2 254.378 -0.395 20 0 CBADLP C[N@@H+]1CCN(C(=O)N[C@H]2CC[NH+](CC3CC3)C2)[C@@H](C[NH3+])C1 ZINC000669491020 544751501 /nfs/dbraw/zinc/75/15/01/544751501.db2.gz IPBUOFCTNFIDHQ-KBPBESRZSA-N 3 2 295.431 -0.245 20 0 CBADLP C[N@H+]1CCN(C(=O)N[C@H]2CC[NH+](CC3CC3)C2)[C@@H](C[NH3+])C1 ZINC000669491020 544751505 /nfs/dbraw/zinc/75/15/05/544751505.db2.gz IPBUOFCTNFIDHQ-KBPBESRZSA-N 3 2 295.431 -0.245 20 0 CBADLP C[NH+]1CCN(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)[C@@H](C[NH3+])C1 ZINC000669491020 544751511 /nfs/dbraw/zinc/75/15/11/544751511.db2.gz IPBUOFCTNFIDHQ-KBPBESRZSA-N 3 2 295.431 -0.245 20 0 CBADLP C[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)[C@@H](C[NH3+])C1 ZINC000669491020 544751514 /nfs/dbraw/zinc/75/15/14/544751514.db2.gz IPBUOFCTNFIDHQ-KBPBESRZSA-N 3 2 295.431 -0.245 20 0 CBADLP C[C@@H]1C[C@H](NC(=O)N2CC[NH+](C)C[C@@H]2C[NH3+])C[N@@H+]1C1CC1 ZINC000669524697 544752397 /nfs/dbraw/zinc/75/23/97/544752397.db2.gz ZIANSXUTKKJTKZ-DYEKYZERSA-N 3 2 295.431 -0.104 20 0 CBADLP C[C@@H]1C[C@H](NC(=O)N2CC[NH+](C)C[C@@H]2C[NH3+])C[N@H+]1C1CC1 ZINC000669524697 544752399 /nfs/dbraw/zinc/75/23/99/544752399.db2.gz ZIANSXUTKKJTKZ-DYEKYZERSA-N 3 2 295.431 -0.104 20 0 CBADLP C[C@@H]1C[C@H](NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])C[NH+]1C1CC1 ZINC000669524697 544752403 /nfs/dbraw/zinc/75/24/03/544752403.db2.gz ZIANSXUTKKJTKZ-DYEKYZERSA-N 3 2 295.431 -0.104 20 0 CBADLP C[C@@H]1C[C@H](NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])C[NH+]1C1CC1 ZINC000669524697 544752406 /nfs/dbraw/zinc/75/24/06/544752406.db2.gz ZIANSXUTKKJTKZ-DYEKYZERSA-N 3 2 295.431 -0.104 20 0 CBADLP C[NH+](C)CCN1CC[N@H+](CCn2cccn2)CC1=O ZINC000649684746 419923469 /nfs/dbraw/zinc/92/34/69/419923469.db2.gz AIQKGXMWPVUPRP-UHFFFAOYSA-N 2 2 265.361 -0.411 20 0 CBADLP C[NH+](C)CCN1CC[N@@H+](CCn2cccn2)CC1=O ZINC000649684746 419923476 /nfs/dbraw/zinc/92/34/76/419923476.db2.gz AIQKGXMWPVUPRP-UHFFFAOYSA-N 2 2 265.361 -0.411 20 0 CBADLP C[NH+](C)CCN1CCN(Cc2[nH]cc[nH+]2)CC1=O ZINC000649687493 419924160 /nfs/dbraw/zinc/92/41/60/419924160.db2.gz UFRIMQKUQLEYBC-UHFFFAOYSA-N 2 2 251.334 -0.385 20 0 CBADLP Cn1cc[nH+]c1CN1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649685099 419924541 /nfs/dbraw/zinc/92/45/41/419924541.db2.gz NZOOIEYAMUBGTF-UHFFFAOYSA-N 2 2 265.361 -0.374 20 0 CBADLP C[NH+](C)[C@H]1CN(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)C[C@@H]1O ZINC000664925756 419918221 /nfs/dbraw/zinc/91/82/21/419918221.db2.gz BEWSKYOJIWOLCB-XDTLVQLUSA-N 2 2 293.371 -0.417 20 0 CBADLP CCn1cc[nH+]c1CNC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000664995781 419920105 /nfs/dbraw/zinc/92/01/05/419920105.db2.gz FSHAAPUTWZMIBJ-QWRGUYRKSA-N 2 2 281.360 -0.281 20 0 CBADLP C[NH+](C)CCN1CC[N@H+](C[C@H]2CCCO2)CC1=O ZINC000649688545 419925833 /nfs/dbraw/zinc/92/58/33/419925833.db2.gz GXJMYUHHBJLTLI-GFCCVEGCSA-N 2 2 255.362 -0.129 20 0 CBADLP C[NH+](C)CCN1CC[N@@H+](C[C@H]2CCCO2)CC1=O ZINC000649688545 419925838 /nfs/dbraw/zinc/92/58/38/419925838.db2.gz GXJMYUHHBJLTLI-GFCCVEGCSA-N 2 2 255.362 -0.129 20 0 CBADLP C[NH+](C)CCN1CCN(Cc2c[nH+]c[nH]2)CC1=O ZINC000649685932 419926610 /nfs/dbraw/zinc/92/66/10/419926610.db2.gz RYKWQAYIUFOPOI-UHFFFAOYSA-N 2 2 251.334 -0.385 20 0 CBADLP C[NH+](C)CCN1CCN(Cc2c[nH]c[nH+]2)CC1=O ZINC000649685932 419926612 /nfs/dbraw/zinc/92/66/12/419926612.db2.gz RYKWQAYIUFOPOI-UHFFFAOYSA-N 2 2 251.334 -0.385 20 0 CBADLP C[NH+](C)CCN1CC[N@H+](CCOC[C@@H]2CCCO2)CC1=O ZINC000649687038 419926665 /nfs/dbraw/zinc/92/66/65/419926665.db2.gz GHVYJDFKCMWGMG-AWEZNQCLSA-N 2 2 299.415 -0.112 20 0 CBADLP C[NH+](C)CCN1CC[N@@H+](CCOC[C@@H]2CCCO2)CC1=O ZINC000649687038 419926670 /nfs/dbraw/zinc/92/66/70/419926670.db2.gz GHVYJDFKCMWGMG-AWEZNQCLSA-N 2 2 299.415 -0.112 20 0 CBADLP Cc1[nH+]ccn1CCNC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000671962650 544836199 /nfs/dbraw/zinc/83/61/99/544836199.db2.gz CFMZILKLCZWGTQ-LBPRGKRZSA-N 2 2 293.371 -0.482 20 0 CBADLP CC[NH+]1CCN(CC(=O)N[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000672152738 544840350 /nfs/dbraw/zinc/84/03/50/544840350.db2.gz MEDMNHFQKQAPLI-CYBMUJFWSA-N 2 2 291.399 -0.048 20 0 CBADLP [NH3+]Cc1cc(=O)[nH]c(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])n1 ZINC000665295020 419937369 /nfs/dbraw/zinc/93/73/69/419937369.db2.gz ZRNZEDWNKYYWBZ-WCBMZHEXSA-N 3 2 251.334 -0.142 20 0 CBADLP CC[NH+]1CCN(CC(=O)NC2C[NH+](C(C)C)C2)CC1 ZINC000672250488 544843264 /nfs/dbraw/zinc/84/32/64/544843264.db2.gz QLROUEMVMCHLSA-UHFFFAOYSA-N 2 2 268.405 -0.167 20 0 CBADLP CC(=O)N[C@@H]1CCCN(C(=O)C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000359272880 419954805 /nfs/dbraw/zinc/95/48/05/419954805.db2.gz IYFLKBKLFZOIBZ-MELADBBJSA-N 2 2 294.399 -0.735 20 0 CBADLP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CC[NH+](CC)CC1 ZINC000359291961 419956439 /nfs/dbraw/zinc/95/64/39/419956439.db2.gz RKGCCKQLKXAWPB-ZDUSSCGKSA-N 2 2 298.431 -0.003 20 0 CBADLP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CC[NH+](CC)CC1 ZINC000359291961 419956446 /nfs/dbraw/zinc/95/64/46/419956446.db2.gz RKGCCKQLKXAWPB-ZDUSSCGKSA-N 2 2 298.431 -0.003 20 0 CBADLP NC(=O)[C@H]1C[C@@H]([NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000650743455 419966061 /nfs/dbraw/zinc/96/60/61/419966061.db2.gz TXILOTCLVQTNTP-WRWGMCAJSA-N 2 2 253.346 -0.393 20 0 CBADLP CNC(=O)[C@H]1C[N@H+](CCn2cc[nH+]c2C)CCO1 ZINC000359646786 419979207 /nfs/dbraw/zinc/97/92/07/419979207.db2.gz HVCLQKSKGSJCDR-LLVKDONJSA-N 2 2 252.318 -0.362 20 0 CBADLP CNC(=O)[C@H]1C[N@@H+](CCn2cc[nH+]c2C)CCO1 ZINC000359646786 419979213 /nfs/dbraw/zinc/97/92/13/419979213.db2.gz HVCLQKSKGSJCDR-LLVKDONJSA-N 2 2 252.318 -0.362 20 0 CBADLP O=C(Cc1cn2c([nH+]1)CCCC2)N1CC[NH+](CCO)CC1 ZINC000651083797 419982299 /nfs/dbraw/zinc/98/22/99/419982299.db2.gz MQCMVZBMWCTMIJ-UHFFFAOYSA-N 2 2 292.383 -0.102 20 0 CBADLP COCC[NH+]1CCC([NH2+][C@@H](C)C(=O)N2CCNC2=O)CC1 ZINC000359952944 419997495 /nfs/dbraw/zinc/99/74/95/419997495.db2.gz RNDZQMLNDKZWNH-NSHDSACASA-N 2 2 298.387 -0.373 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCOCC3(CC3)C2)CC1 ZINC000360087762 420003281 /nfs/dbraw/zinc/00/32/81/420003281.db2.gz IWCCSIODQKPGFE-UHFFFAOYSA-N 2 2 267.373 -0.127 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CCOCC3(CC3)C2)CC1 ZINC000360087762 420003285 /nfs/dbraw/zinc/00/32/85/420003285.db2.gz IWCCSIODQKPGFE-UHFFFAOYSA-N 2 2 267.373 -0.127 20 0 CBADLP COCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CSC[NH2+]2)C1 ZINC000360168071 420008237 /nfs/dbraw/zinc/00/82/37/420008237.db2.gz BFHDWGWILXEPML-VHSXEESVSA-N 2 2 259.375 -0.514 20 0 CBADLP COCC[N@H+]1CC[C@H](NC(=O)[C@H]2CSC[NH2+]2)C1 ZINC000360168071 420008239 /nfs/dbraw/zinc/00/82/39/420008239.db2.gz BFHDWGWILXEPML-VHSXEESVSA-N 2 2 259.375 -0.514 20 0 CBADLP CNC(=O)C[N@@H+]1CCCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC000363373438 420028643 /nfs/dbraw/zinc/02/86/43/420028643.db2.gz PTWXDNZUXQEVTB-UHFFFAOYSA-N 2 2 284.404 -0.393 20 0 CBADLP CNC(=O)C[N@H+]1CCCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC000363373438 420028647 /nfs/dbraw/zinc/02/86/47/420028647.db2.gz PTWXDNZUXQEVTB-UHFFFAOYSA-N 2 2 284.404 -0.393 20 0 CBADLP CNC(=O)C[NH+]1CCCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC000363373438 420028655 /nfs/dbraw/zinc/02/86/55/420028655.db2.gz PTWXDNZUXQEVTB-UHFFFAOYSA-N 2 2 284.404 -0.393 20 0 CBADLP CC[N@@H+]1CCO[C@@H](CN2CC[NH+](CCOC)CC2)C1 ZINC000364429031 420037769 /nfs/dbraw/zinc/03/77/69/420037769.db2.gz RIGFWUKROGJPRX-CQSZACIVSA-N 2 2 271.405 -0.029 20 0 CBADLP CC[N@H+]1CCO[C@@H](CN2CC[NH+](CCOC)CC2)C1 ZINC000364429031 420037774 /nfs/dbraw/zinc/03/77/74/420037774.db2.gz RIGFWUKROGJPRX-CQSZACIVSA-N 2 2 271.405 -0.029 20 0 CBADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@]2(C)CNC(=O)C2)CC1 ZINC000364481930 420040412 /nfs/dbraw/zinc/04/04/12/420040412.db2.gz GZDDBZGSHHQUEA-HNNXBMFYSA-N 2 2 296.415 -0.345 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[NH+](CCO)[C@H](C)C2)C1 ZINC000364593414 420043839 /nfs/dbraw/zinc/04/38/39/420043839.db2.gz WROLJDDXWDWBTE-MCIONIFRSA-N 2 2 299.415 -0.379 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[NH+](CCO)[C@H](C)C2)C1 ZINC000364593414 420043840 /nfs/dbraw/zinc/04/38/40/420043840.db2.gz WROLJDDXWDWBTE-MCIONIFRSA-N 2 2 299.415 -0.379 20 0 CBADLP C[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000364924580 420049198 /nfs/dbraw/zinc/04/91/98/420049198.db2.gz AXEBENUBUFZMMU-OLZOCXBDSA-N 2 2 292.383 -0.030 20 0 CBADLP COCCOCC[NH+]1CCN(C(=O)NC[C@H](C)[NH3+])CC1 ZINC000652217662 420053173 /nfs/dbraw/zinc/05/31/73/420053173.db2.gz DOEPQJUUAIQSPY-LBPRGKRZSA-N 2 2 288.392 -0.676 20 0 CBADLP CCN1C(=O)[C@@H]2C[N@H+](Cc3cc[nH+]c(N)c3)CCN2C1=O ZINC000365126465 420054784 /nfs/dbraw/zinc/05/47/84/420054784.db2.gz SFQISPHDHCBPFD-NSHDSACASA-N 2 2 289.339 0.132 20 0 CBADLP CCN1C(=O)[C@@H]2C[N@@H+](Cc3cc[nH+]c(N)c3)CCN2C1=O ZINC000365126465 420054786 /nfs/dbraw/zinc/05/47/86/420054786.db2.gz SFQISPHDHCBPFD-NSHDSACASA-N 2 2 289.339 0.132 20 0 CBADLP CCC(=O)N1CCC[N@H+](C[C@](C)(O)C[NH2+]C)CC1 ZINC000652337213 420057407 /nfs/dbraw/zinc/05/74/07/420057407.db2.gz UJNPIAGHDYHSTM-CYBMUJFWSA-N 2 2 257.378 -0.099 20 0 CBADLP CCC(=O)N1CCC[N@@H+](C[C@](C)(O)C[NH2+]C)CC1 ZINC000652337213 420057409 /nfs/dbraw/zinc/05/74/09/420057409.db2.gz UJNPIAGHDYHSTM-CYBMUJFWSA-N 2 2 257.378 -0.099 20 0 CBADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000652338486 420057639 /nfs/dbraw/zinc/05/76/39/420057639.db2.gz IRCYTTVFDMPABV-UPJWGTAASA-N 2 2 258.362 -0.163 20 0 CBADLP C[NH2+]C[C@](C)(O)C[N@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000652338486 420057641 /nfs/dbraw/zinc/05/76/41/420057641.db2.gz IRCYTTVFDMPABV-UPJWGTAASA-N 2 2 258.362 -0.163 20 0 CBADLP CCO[C@@H]1C[N@H+](CCNS(=O)(=O)CC)C[C@H]1C[NH3+] ZINC000652356831 420058460 /nfs/dbraw/zinc/05/84/60/420058460.db2.gz KKOGZVZVWTXQHA-GHMZBOCLSA-N 2 2 279.406 -0.779 20 0 CBADLP CCO[C@@H]1C[N@@H+](CCNS(=O)(=O)CC)C[C@H]1C[NH3+] ZINC000652356831 420058463 /nfs/dbraw/zinc/05/84/63/420058463.db2.gz KKOGZVZVWTXQHA-GHMZBOCLSA-N 2 2 279.406 -0.779 20 0 CBADLP COC(=O)[C@H]1C[C@H](NC(=O)[C@@H]([NH3+])Cc2ccccc2)C[NH2+]1 ZINC000365671514 420066047 /nfs/dbraw/zinc/06/60/47/420066047.db2.gz FERZPWIUXHJQLZ-RWMBFGLXSA-N 2 2 291.351 -0.424 20 0 CBADLP C[N@H+](CC(=O)N1CC([NH+]2CC[C@@H](O)C2)C1)[C@H]1CCSC1 ZINC000652890799 420094788 /nfs/dbraw/zinc/09/47/88/420094788.db2.gz ORUYBIDZSJJYDF-WCQYABFASA-N 2 2 299.440 -0.299 20 0 CBADLP C[N@@H+](CC(=O)N1CC([NH+]2CC[C@@H](O)C2)C1)[C@H]1CCSC1 ZINC000652890799 420094793 /nfs/dbraw/zinc/09/47/93/420094793.db2.gz ORUYBIDZSJJYDF-WCQYABFASA-N 2 2 299.440 -0.299 20 0 CBADLP C[NH+](CC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1)[C@H]1CCSC1 ZINC000652890799 420094799 /nfs/dbraw/zinc/09/47/99/420094799.db2.gz ORUYBIDZSJJYDF-WCQYABFASA-N 2 2 299.440 -0.299 20 0 CBADLP C[NH+](CC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1)[C@H]1CCSC1 ZINC000652890799 420094804 /nfs/dbraw/zinc/09/48/04/420094804.db2.gz ORUYBIDZSJJYDF-WCQYABFASA-N 2 2 299.440 -0.299 20 0 CBADLP CC(C)(C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1)c1c[nH+]c[nH]1 ZINC000652892201 420095638 /nfs/dbraw/zinc/09/56/38/420095638.db2.gz DEPBQJGHZKDENF-LLVKDONJSA-N 2 2 278.356 -0.035 20 0 CBADLP CC(C)(C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1)c1c[nH+]c[nH]1 ZINC000652892201 420095642 /nfs/dbraw/zinc/09/56/42/420095642.db2.gz DEPBQJGHZKDENF-LLVKDONJSA-N 2 2 278.356 -0.035 20 0 CBADLP C[C@H](C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1)[NH+]1CCSCC1 ZINC000652890625 420096236 /nfs/dbraw/zinc/09/62/36/420096236.db2.gz HHJMYWGYHYMWIE-DGCLKSJQSA-N 2 2 299.440 -0.299 20 0 CBADLP C[C@H](C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1)[NH+]1CCSCC1 ZINC000652890625 420096241 /nfs/dbraw/zinc/09/62/41/420096241.db2.gz HHJMYWGYHYMWIE-DGCLKSJQSA-N 2 2 299.440 -0.299 20 0 CBADLP COCCOCC[NH+]1CCN(C(=O)[C@H](C)[NH+](C)C)CC1 ZINC000653000195 420104867 /nfs/dbraw/zinc/10/48/67/420104867.db2.gz YAMCGPHJZVQSGR-ZDUSSCGKSA-N 2 2 287.404 -0.256 20 0 CBADLP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653044983 420110034 /nfs/dbraw/zinc/11/00/34/420110034.db2.gz MUHLKNNIGKYDOF-SDDRHHMPSA-N 3 2 256.394 -0.006 20 0 CBADLP CCCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)[C@H]1CC[NH2+]C1 ZINC000653049146 420110367 /nfs/dbraw/zinc/11/03/67/420110367.db2.gz WEWLSSCOJLKSKT-NWDGAFQWSA-N 3 2 256.394 -0.134 20 0 CBADLP CCNC(=O)N1CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653061855 420111669 /nfs/dbraw/zinc/11/16/69/420111669.db2.gz BKSSTZBDQOADJV-LLVKDONJSA-N 2 2 285.392 -0.861 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1cccc(-n2cnnn2)c1 ZINC000653059689 420111713 /nfs/dbraw/zinc/11/17/13/420111713.db2.gz JQBCXUCBZWXRPM-GFCCVEGCSA-N 2 2 289.343 -0.120 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCCCOC[C@H]1CCCO1 ZINC000653061879 420111843 /nfs/dbraw/zinc/11/18/43/420111843.db2.gz DBPORFABOKOPKN-CHWSQXEVSA-N 2 2 287.404 -0.033 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1cccc(-n2cnnn2)c1 ZINC000653059690 420112040 /nfs/dbraw/zinc/11/20/40/420112040.db2.gz JQBCXUCBZWXRPM-LBPRGKRZSA-N 2 2 289.343 -0.120 20 0 CBADLP COC[C@H]([NH3+])C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000367653164 420113028 /nfs/dbraw/zinc/11/30/28/420113028.db2.gz LVJPATMXGHSOJP-RWMBFGLXSA-N 2 2 285.388 -0.280 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000653092343 420115023 /nfs/dbraw/zinc/11/50/23/420115023.db2.gz ZRKZFOMLJVKILB-GXSJLCMTSA-N 2 2 268.361 -0.855 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N(CC(N)=O)Cc1ccccc1 ZINC000653089919 420115246 /nfs/dbraw/zinc/11/52/46/420115246.db2.gz YJFCRJRPLCZTMI-CYBMUJFWSA-N 2 2 292.383 -0.221 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@](C)(C(N)=O)c1ccccc1 ZINC000653082277 420115530 /nfs/dbraw/zinc/11/55/30/420115530.db2.gz OPROFJXWHVWLET-SWLSCSKDSA-N 2 2 292.383 -0.218 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCCC[NH+]1CCCC1 ZINC000653107051 420116076 /nfs/dbraw/zinc/11/60/76/420116076.db2.gz VVSKHKYWNWGFMH-GFCCVEGCSA-N 3 2 256.394 -0.133 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CC[NH+](C2CC2)CC1 ZINC000653108167 420116093 /nfs/dbraw/zinc/11/60/93/420116093.db2.gz LDGWUJFDUDVCCC-GFCCVEGCSA-N 3 2 254.378 -0.428 20 0 CBADLP C[C@H](CNC(=O)[C@]12C[NH2+]C[C@H]1COC2)Cn1cc[nH+]c1 ZINC000653112197 420116131 /nfs/dbraw/zinc/11/61/31/420116131.db2.gz PTKRSQIPHOUOSS-DYEKYZERSA-N 2 2 278.356 -0.129 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCN(CC(F)(F)F)CC1 ZINC000653107452 420116296 /nfs/dbraw/zinc/11/62/96/420116296.db2.gz JSZDFFFREXYHBC-SNVBAGLBSA-N 2 2 296.337 -0.028 20 0 CBADLP C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)CC1=O ZINC000653101897 420116858 /nfs/dbraw/zinc/11/68/58/420116858.db2.gz JIWNUDSKGFFKEC-KXNHARMFSA-N 2 2 282.388 -0.609 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCC[NH+]1CCCCC1 ZINC000653106979 420117245 /nfs/dbraw/zinc/11/72/45/420117245.db2.gz SVGFMTRKZPTCLD-GFCCVEGCSA-N 3 2 256.394 -0.133 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000653102145 420117279 /nfs/dbraw/zinc/11/72/79/420117279.db2.gz OYSZBBMJYTVTAF-MNOVXSKESA-N 2 2 284.404 -0.219 20 0 CBADLP C[NH+](C)CC[C@H](N)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000653105169 420117770 /nfs/dbraw/zinc/11/77/70/420117770.db2.gz JEXUFKGISNVALB-LBPRGKRZSA-N 2 2 286.420 -0.508 20 0 CBADLP C[C@H]([C@H](C)NC(=O)[C@H](N)CC[NH+](C)C)[NH+]1CCOCC1 ZINC000653117328 420118746 /nfs/dbraw/zinc/11/87/46/420118746.db2.gz IQPQRLCRJHHBCM-YNEHKIRRSA-N 2 2 286.420 -0.509 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000653117924 420119643 /nfs/dbraw/zinc/11/96/43/420119643.db2.gz ZPPBFKHMJXYPAB-OLZOCXBDSA-N 3 2 268.405 -0.134 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000653117924 420119649 /nfs/dbraw/zinc/11/96/49/420119649.db2.gz ZPPBFKHMJXYPAB-OLZOCXBDSA-N 3 2 268.405 -0.134 20 0 CBADLP C[C@@H](CNC(=O)CC(F)(F)C[NH3+])C[NH+]1CCN(C)CC1 ZINC000653124600 420120797 /nfs/dbraw/zinc/12/07/97/420120797.db2.gz BNMBAUOLOXBQIT-NSHDSACASA-N 2 2 292.374 -0.030 20 0 CBADLP C[C@@H](CNC(=O)CC(F)(F)C[NH3+])CN1CC[NH+](C)CC1 ZINC000653124600 420120801 /nfs/dbraw/zinc/12/08/01/420120801.db2.gz BNMBAUOLOXBQIT-NSHDSACASA-N 2 2 292.374 -0.030 20 0 CBADLP [NH3+]CC(F)(F)CC(=O)N1CC[NH+](CCO)CC1 ZINC000653139725 420121944 /nfs/dbraw/zinc/12/19/44/420121944.db2.gz SWGPCZPVTMYYJG-UHFFFAOYSA-N 2 2 251.277 -0.893 20 0 CBADLP CC[C@@](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)(C(N)=O)C(C)C ZINC000653154562 420124119 /nfs/dbraw/zinc/12/41/19/420124119.db2.gz VIQDURIWGSVBJR-GWCFXTLKSA-N 2 2 272.393 -0.328 20 0 CBADLP C[C@H](CNC(=O)[C@H]([NH3+])CC[NH+](C)C)N1CCCCC1=O ZINC000653160537 420124386 /nfs/dbraw/zinc/12/43/86/420124386.db2.gz LZKKKZBQEWWPPX-VXGBXAGGSA-N 2 2 284.404 -0.217 20 0 CBADLP CC(C)C(=O)NCCN(C)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653159014 420124650 /nfs/dbraw/zinc/12/46/50/420124650.db2.gz RFJSZBGQFSDBFU-LLVKDONJSA-N 2 2 272.393 -0.504 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCO[C@@H](C(=O)C2CC2)C1 ZINC000653160148 420124659 /nfs/dbraw/zinc/12/46/59/420124659.db2.gz ZHJNMOMTJVRDPT-VXGBXAGGSA-N 2 2 283.372 -0.528 20 0 CBADLP C[C@@H]1CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C[C@H]1C[NH3+] ZINC000653163001 420124697 /nfs/dbraw/zinc/12/46/97/420124697.db2.gz AIRIXWATPZSXSC-IJLUTSLNSA-N 3 2 256.394 -0.291 20 0 CBADLP CCO[C@@H]1C[C@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)[C@H]1OC ZINC000653159888 420124861 /nfs/dbraw/zinc/12/48/61/420124861.db2.gz RLMXWODLKDFZKI-NNYUYHANSA-N 2 2 273.377 -0.426 20 0 CBADLP CCO[C@@H]1C[C@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)[C@H]1OC ZINC000653159889 420125206 /nfs/dbraw/zinc/12/52/06/420125206.db2.gz RLMXWODLKDFZKI-WRWGMCAJSA-N 2 2 273.377 -0.426 20 0 CBADLP COCCOCC[NH+]1CCN(C(=O)CC[C@@H](C)[NH3+])CC1 ZINC000653275881 420133332 /nfs/dbraw/zinc/13/33/32/420133332.db2.gz QCIBENKKDQQUIR-CYBMUJFWSA-N 2 2 287.404 -0.079 20 0 CBADLP COCCOCC[NH+]1CCN(C(=O)[C@H]2[NH2+]CC2(C)C)CC1 ZINC000653275437 420133753 /nfs/dbraw/zinc/13/37/53/420133753.db2.gz FYIULQQBCHGOCF-CYBMUJFWSA-N 2 2 299.415 -0.208 20 0 CBADLP COCCOCC[NH+]1CCN(C(=O)[C@@H]2CCCC[NH2+]2)CC1 ZINC000653275994 420133814 /nfs/dbraw/zinc/13/38/14/420133814.db2.gz SXDQHVVCKACYNX-AWEZNQCLSA-N 2 2 299.415 -0.064 20 0 CBADLP COCCOCC[NH+]1CCN(C(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000653275192 420134064 /nfs/dbraw/zinc/13/40/64/420134064.db2.gz YWDNOBJAMPIVHB-CQSZACIVSA-N 2 2 299.415 -0.207 20 0 CBADLP CC[C@@H]([NH3+])C(=O)N1CC[NH+](CCOCCOC)CC1 ZINC000653276146 420134093 /nfs/dbraw/zinc/13/40/93/420134093.db2.gz WLOWTNSWMFRBFK-GFCCVEGCSA-N 2 2 273.377 -0.469 20 0 CBADLP COCCOCC[NH+]1CCN(C(=O)[C@@H]2[NH2+]CC2(C)C)CC1 ZINC000653275438 420134298 /nfs/dbraw/zinc/13/42/98/420134298.db2.gz FYIULQQBCHGOCF-ZDUSSCGKSA-N 2 2 299.415 -0.208 20 0 CBADLP COC(=O)[C@H]1C[C@H](NC(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)C[NH2+]1 ZINC000368527540 420134775 /nfs/dbraw/zinc/13/47/75/420134775.db2.gz LSBOVIMOYKTDGD-FBKDDSFISA-N 2 2 281.356 -0.604 20 0 CBADLP Cn1ccnc1C[NH2+][C@H]1CC(=O)N(CCC[NH+](C)C)C1=O ZINC000653284852 420137095 /nfs/dbraw/zinc/13/70/95/420137095.db2.gz WIYALHQHCXOPMW-NSHDSACASA-N 2 2 293.371 -0.411 20 0 CBADLP CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)C1 ZINC000653298888 420138555 /nfs/dbraw/zinc/13/85/55/420138555.db2.gz PXFULJGUEYSFPA-FPMFFAJLSA-N 2 2 296.415 -0.075 20 0 CBADLP CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)C1 ZINC000653298888 420138557 /nfs/dbraw/zinc/13/85/57/420138557.db2.gz PXFULJGUEYSFPA-FPMFFAJLSA-N 2 2 296.415 -0.075 20 0 CBADLP COC(=O)[C@H]1C[C@H](NC(=O)[C@@H]([NH3+])c2ccccc2)C[NH2+]1 ZINC000366150913 420077379 /nfs/dbraw/zinc/07/73/79/420077379.db2.gz GJYYBCDJNMRKQH-TUAOUCFPSA-N 2 2 277.324 -0.294 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652734201 420080394 /nfs/dbraw/zinc/08/03/94/420080394.db2.gz AEJWDZJNWXQROS-UHFFFAOYSA-N 2 2 293.371 -0.507 20 0 CBADLP COC[C@@H](C)NC(=[NH2+])NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000366453748 420084992 /nfs/dbraw/zinc/08/49/92/420084992.db2.gz CPLUNLLOCVVSCF-PWSUYJOCSA-N 2 2 270.377 -0.002 20 0 CBADLP COC[C@@H](C)NC(=[NH2+])NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000366453748 420084996 /nfs/dbraw/zinc/08/49/96/420084996.db2.gz CPLUNLLOCVVSCF-PWSUYJOCSA-N 2 2 270.377 -0.002 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N1CCC[NH+](CC(N)=O)CC1 ZINC000371468697 420189682 /nfs/dbraw/zinc/18/96/82/420189682.db2.gz KOSXXNYESOCZIG-UHFFFAOYSA-N 2 2 270.377 -0.654 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N1CCC[NH+](CC(N)=O)CC1 ZINC000371468697 420189689 /nfs/dbraw/zinc/18/96/89/420189689.db2.gz KOSXXNYESOCZIG-UHFFFAOYSA-N 2 2 270.377 -0.654 20 0 CBADLP CC(C)[NH+](C)CC(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000371468697 420189692 /nfs/dbraw/zinc/18/96/92/420189692.db2.gz KOSXXNYESOCZIG-UHFFFAOYSA-N 2 2 270.377 -0.654 20 0 CBADLP CC(C)[NH+](C)CC(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000371468697 420189696 /nfs/dbraw/zinc/18/96/96/420189696.db2.gz KOSXXNYESOCZIG-UHFFFAOYSA-N 2 2 270.377 -0.654 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(NC(=O)COC)CC1 ZINC000653494757 420147455 /nfs/dbraw/zinc/14/74/55/420147455.db2.gz MWYCDQWOUSWSQK-ZDUSSCGKSA-N 2 2 287.404 -0.474 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(NC(=O)COC)CC1 ZINC000653494757 420147457 /nfs/dbraw/zinc/14/74/57/420147457.db2.gz MWYCDQWOUSWSQK-ZDUSSCGKSA-N 2 2 287.404 -0.474 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)C[C@@H](O)C1CC1 ZINC000653567111 420149648 /nfs/dbraw/zinc/14/96/48/420149648.db2.gz SGDYABCCJPIVCG-CHWSQXEVSA-N 2 2 260.378 -0.372 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)C[C@@H](O)C1CC1 ZINC000653567111 420149651 /nfs/dbraw/zinc/14/96/51/420149651.db2.gz SGDYABCCJPIVCG-CHWSQXEVSA-N 2 2 260.378 -0.372 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)C[C@@H](O)C1CC1 ZINC000653567111 420149655 /nfs/dbraw/zinc/14/96/55/420149655.db2.gz SGDYABCCJPIVCG-CHWSQXEVSA-N 2 2 260.378 -0.372 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)C[C@@H](O)C1CC1 ZINC000653567111 420149658 /nfs/dbraw/zinc/14/96/58/420149658.db2.gz SGDYABCCJPIVCG-CHWSQXEVSA-N 2 2 260.378 -0.372 20 0 CBADLP CNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC000369057888 420152157 /nfs/dbraw/zinc/15/21/57/420152157.db2.gz MYZISDJOYRNSBZ-AWEZNQCLSA-N 2 2 298.431 -0.147 20 0 CBADLP CNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC000369057888 420152161 /nfs/dbraw/zinc/15/21/61/420152161.db2.gz MYZISDJOYRNSBZ-AWEZNQCLSA-N 2 2 298.431 -0.147 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)CN1CCn2cc(C)[nH+]c2C1 ZINC000653612189 420153811 /nfs/dbraw/zinc/15/38/11/420153811.db2.gz CHEQMQKKLIHLOV-CYBMUJFWSA-N 2 2 282.388 -0.054 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)[C@H](CO)C1 ZINC000653638290 420155362 /nfs/dbraw/zinc/15/53/62/420155362.db2.gz OWDVMCOSCAXKKT-AGIUHOORSA-N 2 2 260.378 -0.514 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)[C@H](CO)C1 ZINC000653638290 420155365 /nfs/dbraw/zinc/15/53/65/420155365.db2.gz OWDVMCOSCAXKKT-AGIUHOORSA-N 2 2 260.378 -0.514 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000653638290 420155368 /nfs/dbraw/zinc/15/53/68/420155368.db2.gz OWDVMCOSCAXKKT-AGIUHOORSA-N 2 2 260.378 -0.514 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000653638290 420155372 /nfs/dbraw/zinc/15/53/72/420155372.db2.gz OWDVMCOSCAXKKT-AGIUHOORSA-N 2 2 260.378 -0.514 20 0 CBADLP CC[N@H+](C)C[C@H](O)CN(C)[C@H](C)C[NH+]1CCOCC1 ZINC000653649580 420155727 /nfs/dbraw/zinc/15/57/27/420155727.db2.gz NBQADPADXYUGIG-KGLIPLIRSA-N 2 2 273.421 -0.049 20 0 CBADLP CC[N@@H+](C)C[C@H](O)CN(C)[C@H](C)C[NH+]1CCOCC1 ZINC000653649580 420155731 /nfs/dbraw/zinc/15/57/31/420155731.db2.gz NBQADPADXYUGIG-KGLIPLIRSA-N 2 2 273.421 -0.049 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@H](C)CN1CCOCC1 ZINC000653649580 420155733 /nfs/dbraw/zinc/15/57/33/420155733.db2.gz NBQADPADXYUGIG-KGLIPLIRSA-N 2 2 273.421 -0.049 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@H](C)CN1CCOCC1 ZINC000653649580 420155735 /nfs/dbraw/zinc/15/57/35/420155735.db2.gz NBQADPADXYUGIG-KGLIPLIRSA-N 2 2 273.421 -0.049 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@H](C)CN1CCOCC1 ZINC000653649580 420155740 /nfs/dbraw/zinc/15/57/40/420155740.db2.gz NBQADPADXYUGIG-KGLIPLIRSA-N 2 2 273.421 -0.049 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@H](C)CN1CCOCC1 ZINC000653649580 420155742 /nfs/dbraw/zinc/15/57/42/420155742.db2.gz NBQADPADXYUGIG-KGLIPLIRSA-N 2 2 273.421 -0.049 20 0 CBADLP C[C@@H](NC(N)=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369274911 420156444 /nfs/dbraw/zinc/15/64/44/420156444.db2.gz TXHCZAFRRUSMHT-MNOVXSKESA-N 2 2 297.403 -0.672 20 0 CBADLP C[C@@H](NC(N)=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369274911 420156453 /nfs/dbraw/zinc/15/64/53/420156453.db2.gz TXHCZAFRRUSMHT-MNOVXSKESA-N 2 2 297.403 -0.672 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@]12CCNC2=O ZINC000653717280 420157482 /nfs/dbraw/zinc/15/74/82/420157482.db2.gz ODASTADPBMJSMR-OCCSQVGLSA-N 2 2 285.388 -0.720 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@]12CCNC2=O ZINC000653717280 420157486 /nfs/dbraw/zinc/15/74/86/420157486.db2.gz ODASTADPBMJSMR-OCCSQVGLSA-N 2 2 285.388 -0.720 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@]12CCNC2=O ZINC000653717280 420157488 /nfs/dbraw/zinc/15/74/88/420157488.db2.gz ODASTADPBMJSMR-OCCSQVGLSA-N 2 2 285.388 -0.720 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@]12CCNC2=O ZINC000653717280 420157490 /nfs/dbraw/zinc/15/74/90/420157490.db2.gz ODASTADPBMJSMR-OCCSQVGLSA-N 2 2 285.388 -0.720 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@](CO)(COC)C1 ZINC000653755171 420159571 /nfs/dbraw/zinc/15/95/71/420159571.db2.gz FVAXRVIWKKIQFD-KBPBESRZSA-N 2 2 290.404 -0.744 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@](CO)(COC)C1 ZINC000653755171 420159574 /nfs/dbraw/zinc/15/95/74/420159574.db2.gz FVAXRVIWKKIQFD-KBPBESRZSA-N 2 2 290.404 -0.744 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@](CO)(COC)C1 ZINC000653755171 420159577 /nfs/dbraw/zinc/15/95/77/420159577.db2.gz FVAXRVIWKKIQFD-KBPBESRZSA-N 2 2 290.404 -0.744 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@](CO)(COC)C1 ZINC000653755171 420159581 /nfs/dbraw/zinc/15/95/81/420159581.db2.gz FVAXRVIWKKIQFD-KBPBESRZSA-N 2 2 290.404 -0.744 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@](O)(CC(N)=O)C1 ZINC000653773124 420162555 /nfs/dbraw/zinc/16/25/55/420162555.db2.gz ZGJMMGYCCRGUHM-YPMHNXCESA-N 2 2 273.377 -0.999 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@](O)(CC(N)=O)C1 ZINC000653773124 420162561 /nfs/dbraw/zinc/16/25/61/420162561.db2.gz ZGJMMGYCCRGUHM-YPMHNXCESA-N 2 2 273.377 -0.999 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@](O)(CC(N)=O)C1 ZINC000653773124 420162562 /nfs/dbraw/zinc/16/25/62/420162562.db2.gz ZGJMMGYCCRGUHM-YPMHNXCESA-N 2 2 273.377 -0.999 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@](O)(CC(N)=O)C1 ZINC000653773124 420162568 /nfs/dbraw/zinc/16/25/68/420162568.db2.gz ZGJMMGYCCRGUHM-YPMHNXCESA-N 2 2 273.377 -0.999 20 0 CBADLP Cn1cnnc1N1CC[NH+](CCc2c[nH+]cn2C)CC1 ZINC000653822310 420165862 /nfs/dbraw/zinc/16/58/62/420165862.db2.gz KNNLJCQDMVUXRY-UHFFFAOYSA-N 2 2 275.360 -0.087 20 0 CBADLP Cc1nc2n(n1)CC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)C2 ZINC000370291467 420175664 /nfs/dbraw/zinc/17/56/64/420175664.db2.gz ZOVYCIDZSQVYKN-UHFFFAOYSA-N 2 2 292.387 -0.434 20 0 CBADLP Cc1nc2n(n1)CC[N@H+](CCC(=O)N1CC[NH+](C)CC1)C2 ZINC000370291467 420175667 /nfs/dbraw/zinc/17/56/67/420175667.db2.gz ZOVYCIDZSQVYKN-UHFFFAOYSA-N 2 2 292.387 -0.434 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(F)(F)[C@H](CO)C1 ZINC000404043051 420224695 /nfs/dbraw/zinc/22/46/95/420224695.db2.gz VSARFGHRYJFPKO-RYUDHWBXSA-N 2 2 296.358 -0.125 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC(F)(F)[C@H](CO)C1 ZINC000404043051 420224698 /nfs/dbraw/zinc/22/46/98/420224698.db2.gz VSARFGHRYJFPKO-RYUDHWBXSA-N 2 2 296.358 -0.125 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000404043051 420224701 /nfs/dbraw/zinc/22/47/01/420224701.db2.gz VSARFGHRYJFPKO-RYUDHWBXSA-N 2 2 296.358 -0.125 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000404043051 420224705 /nfs/dbraw/zinc/22/47/05/420224705.db2.gz VSARFGHRYJFPKO-RYUDHWBXSA-N 2 2 296.358 -0.125 20 0 CBADLP C[N@H+](C[C@@H](O)C[NH2+]CCN1C(=O)CCC1=O)C1CC1 ZINC000405350023 420226214 /nfs/dbraw/zinc/22/62/14/420226214.db2.gz ZMQRAGHJSBHNQV-NSHDSACASA-N 2 2 269.345 -0.820 20 0 CBADLP C[N@@H+](C[C@@H](O)C[NH2+]CCN1C(=O)CCC1=O)C1CC1 ZINC000405350023 420226218 /nfs/dbraw/zinc/22/62/18/420226218.db2.gz ZMQRAGHJSBHNQV-NSHDSACASA-N 2 2 269.345 -0.820 20 0 CBADLP CCO[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H]1C[NH3+] ZINC000405430708 420228147 /nfs/dbraw/zinc/22/81/47/420228147.db2.gz HUBGWMKVNOTUKY-GHMZBOCLSA-N 2 2 264.391 -0.283 20 0 CBADLP CCO[C@@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@H]1C[NH3+] ZINC000405430708 420228152 /nfs/dbraw/zinc/22/81/52/420228152.db2.gz HUBGWMKVNOTUKY-GHMZBOCLSA-N 2 2 264.391 -0.283 20 0 CBADLP C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655244182 420233114 /nfs/dbraw/zinc/23/31/14/420233114.db2.gz NRZOHJYHPIFDSJ-YIYPIFLZSA-N 2 2 299.415 -0.069 20 0 CBADLP C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655244182 420233119 /nfs/dbraw/zinc/23/31/19/420233119.db2.gz NRZOHJYHPIFDSJ-YIYPIFLZSA-N 2 2 299.415 -0.069 20 0 CBADLP C[C@H](CNC(=O)[C@H]1C[NH+](C)CCO1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655244182 420233124 /nfs/dbraw/zinc/23/31/24/420233124.db2.gz NRZOHJYHPIFDSJ-YIYPIFLZSA-N 2 2 299.415 -0.069 20 0 CBADLP C[C@H](CNC(=O)[C@H]1C[NH+](C)CCO1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655244182 420233131 /nfs/dbraw/zinc/23/31/31/420233131.db2.gz NRZOHJYHPIFDSJ-YIYPIFLZSA-N 2 2 299.415 -0.069 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655246336 420233975 /nfs/dbraw/zinc/23/39/75/420233975.db2.gz INKWILSXQBAFAI-BETUJISGSA-N 2 2 298.431 -0.101 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655246336 420233977 /nfs/dbraw/zinc/23/39/77/420233977.db2.gz INKWILSXQBAFAI-BETUJISGSA-N 2 2 298.431 -0.101 20 0 CBADLP O=C(NCC[NH+]1CCOCC1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655442744 420249904 /nfs/dbraw/zinc/24/99/04/420249904.db2.gz ZIIMYWJQWFFYDB-JSGCOSHPSA-N 2 2 267.373 -0.176 20 0 CBADLP O=C(NCC[NH+]1CCOCC1)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655442743 420250212 /nfs/dbraw/zinc/25/02/12/420250212.db2.gz ZIIMYWJQWFFYDB-GXTWGEPZSA-N 2 2 267.373 -0.176 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000422817459 420254153 /nfs/dbraw/zinc/25/41/53/420254153.db2.gz DCGFSTOAAMYHMF-RYUDHWBXSA-N 2 2 284.404 -0.348 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000422817459 420254158 /nfs/dbraw/zinc/25/41/58/420254158.db2.gz DCGFSTOAAMYHMF-RYUDHWBXSA-N 2 2 284.404 -0.348 20 0 CBADLP O=C(NC[C@H]1C[NH2+]CCO1)[C@H]1CCc2[nH+]ccn2C1 ZINC000655477732 420254807 /nfs/dbraw/zinc/25/48/07/420254807.db2.gz CCTWNTFASQAAMX-WDEREUQCSA-N 2 2 264.329 -0.450 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000423732521 420256676 /nfs/dbraw/zinc/25/66/76/420256676.db2.gz MPTSMQILVWQQNF-NSHDSACASA-N 2 2 284.404 -0.301 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000423732521 420256683 /nfs/dbraw/zinc/25/66/83/420256683.db2.gz MPTSMQILVWQQNF-NSHDSACASA-N 2 2 284.404 -0.301 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000423610829 420257246 /nfs/dbraw/zinc/25/72/46/420257246.db2.gz NBMXHRXRPHDVLA-NEPJUHHUSA-N 2 2 284.404 -0.348 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000423610829 420257248 /nfs/dbraw/zinc/25/72/48/420257248.db2.gz NBMXHRXRPHDVLA-NEPJUHHUSA-N 2 2 284.404 -0.348 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000423588471 420257444 /nfs/dbraw/zinc/25/74/44/420257444.db2.gz GWJDEYMQVXLCJR-BETUJISGSA-N 2 2 296.415 -0.204 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000423588471 420257448 /nfs/dbraw/zinc/25/74/48/420257448.db2.gz GWJDEYMQVXLCJR-BETUJISGSA-N 2 2 296.415 -0.204 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000423947353 420258806 /nfs/dbraw/zinc/25/88/06/420258806.db2.gz DJPXKUISCIQGAB-NSHDSACASA-N 2 2 286.420 -0.068 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000423947353 420258809 /nfs/dbraw/zinc/25/88/09/420258809.db2.gz DJPXKUISCIQGAB-NSHDSACASA-N 2 2 286.420 -0.068 20 0 CBADLP C[N@@H+]1CC[C@](O)(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000655755285 420271473 /nfs/dbraw/zinc/27/14/73/420271473.db2.gz WEHLWXDHGNMHAI-GJZGRUSLSA-N 3 2 283.416 -0.104 20 0 CBADLP C[N@H+]1CC[C@](O)(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000655755285 420271475 /nfs/dbraw/zinc/27/14/75/420271475.db2.gz WEHLWXDHGNMHAI-GJZGRUSLSA-N 3 2 283.416 -0.104 20 0 CBADLP C[C@H](NC(=O)C[N@@H+]1CCC[C@@H](C[NH3+])C1)C(=O)N(C)C ZINC000430611270 420271810 /nfs/dbraw/zinc/27/18/10/420271810.db2.gz OABXHEVCQGFJHE-QWRGUYRKSA-N 2 2 270.377 -0.750 20 0 CBADLP C[C@H](NC(=O)C[N@H+]1CCC[C@@H](C[NH3+])C1)C(=O)N(C)C ZINC000430611270 420271813 /nfs/dbraw/zinc/27/18/13/420271813.db2.gz OABXHEVCQGFJHE-QWRGUYRKSA-N 2 2 270.377 -0.750 20 0 CBADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)[C@H]1CC[NH2+]C1 ZINC000430719561 420272564 /nfs/dbraw/zinc/27/25/64/420272564.db2.gz JYUQPAYCZNXGKS-LBPRGKRZSA-N 2 2 293.371 -0.237 20 0 CBADLP CC1(C)NC(=O)N(CCC[N@@H+]2CC[C@@H]([NH3+])C2)C1=O ZINC000430615670 420272783 /nfs/dbraw/zinc/27/27/83/420272783.db2.gz CYSYVZUAFAWJFR-SECBINFHSA-N 2 2 254.334 -0.260 20 0 CBADLP CC1(C)NC(=O)N(CCC[N@H+]2CC[C@@H]([NH3+])C2)C1=O ZINC000430615670 420272787 /nfs/dbraw/zinc/27/27/87/420272787.db2.gz CYSYVZUAFAWJFR-SECBINFHSA-N 2 2 254.334 -0.260 20 0 CBADLP CC[C@H]([NH3+])C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000430718959 420273448 /nfs/dbraw/zinc/27/34/48/420273448.db2.gz HXKUJPTTXQANEY-NSHDSACASA-N 2 2 281.360 -0.109 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655916455 420276031 /nfs/dbraw/zinc/27/60/31/420276031.db2.gz YPGZEBRPHYUMFY-DTWKUNHWSA-N 2 2 298.309 -0.104 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655916455 420276033 /nfs/dbraw/zinc/27/60/33/420276033.db2.gz YPGZEBRPHYUMFY-DTWKUNHWSA-N 2 2 298.309 -0.104 20 0 CBADLP C[C@@H]([NH3+])CCC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000434699376 420278290 /nfs/dbraw/zinc/27/82/90/420278290.db2.gz KFCZYENIMLHACY-GFCCVEGCSA-N 2 2 295.387 0.281 20 0 CBADLP C[NH2+]CCC[NH+]1CCN(CC(=O)Nc2cc(C)on2)CC1 ZINC000435877754 420281239 /nfs/dbraw/zinc/28/12/39/420281239.db2.gz UUPCQGOEWRSSMM-UHFFFAOYSA-N 2 2 295.387 0.149 20 0 CBADLP Cn1cnnc1N1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000655948374 420282018 /nfs/dbraw/zinc/28/20/18/420282018.db2.gz YWIFEZCGIYPBEB-LLVKDONJSA-N 2 2 250.350 -0.453 20 0 CBADLP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])C1 ZINC000655971119 420283932 /nfs/dbraw/zinc/28/39/32/420283932.db2.gz SVBJMRWOZMDQEU-FRRDWIJNSA-N 3 2 283.420 -0.389 20 0 CBADLP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])C1 ZINC000655971119 420283937 /nfs/dbraw/zinc/28/39/37/420283937.db2.gz SVBJMRWOZMDQEU-FRRDWIJNSA-N 3 2 283.420 -0.389 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]([NH3+])C1CCC1 ZINC000399077136 420217948 /nfs/dbraw/zinc/21/79/48/420217948.db2.gz ODUCWVAPNKTUIW-ZYHUDNBSSA-N 2 2 255.362 -0.049 20 0 CBADLP C[NH+](C)[C@H]1CN(C(=O)C2([NH+]3CCOCC3)CCC2)C[C@@H]1O ZINC000655096040 420220178 /nfs/dbraw/zinc/22/01/78/420220178.db2.gz YEMYGQGQTDIQGY-STQMWFEESA-N 2 2 297.399 -0.625 20 0 CBADLP O=S1(=O)CC[C@H]([NH2+]Cc2cn(-c3cc[nH+]cc3)nn2)C1 ZINC000656440972 420310469 /nfs/dbraw/zinc/31/04/69/420310469.db2.gz RGWKATZKXLUVOZ-JTQLQIEISA-N 2 2 293.352 -0.061 20 0 CBADLP COCCNC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000656543424 420315178 /nfs/dbraw/zinc/31/51/78/420315178.db2.gz DQLWRQLUMHCUOX-UHFFFAOYSA-N 2 2 260.382 -0.185 20 0 CBADLP COCCNC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000656543424 420315179 /nfs/dbraw/zinc/31/51/79/420315179.db2.gz DQLWRQLUMHCUOX-UHFFFAOYSA-N 2 2 260.382 -0.185 20 0 CBADLP CO[C@@H]1CS(=O)(=O)[C@H]2C[N@H+](C[C@@]3(C)CC[NH2+]C3)C[C@H]21 ZINC000656792454 420321224 /nfs/dbraw/zinc/32/12/24/420321224.db2.gz RDFHETGPXKUICZ-RNJOBUHISA-N 2 2 288.413 -0.270 20 0 CBADLP CO[C@@H]1CS(=O)(=O)[C@H]2C[N@@H+](C[C@@]3(C)CC[NH2+]C3)C[C@H]21 ZINC000656792454 420321227 /nfs/dbraw/zinc/32/12/27/420321227.db2.gz RDFHETGPXKUICZ-RNJOBUHISA-N 2 2 288.413 -0.270 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)C1COC1 ZINC000657091601 420341201 /nfs/dbraw/zinc/34/12/01/420341201.db2.gz MXKYQBDDHPDASB-UHFFFAOYSA-N 2 2 279.406 -0.812 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)C1COC1 ZINC000657091601 420341204 /nfs/dbraw/zinc/34/12/04/420341204.db2.gz MXKYQBDDHPDASB-UHFFFAOYSA-N 2 2 279.406 -0.812 20 0 CBADLP COC[C@H](C)S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000657091174 420341670 /nfs/dbraw/zinc/34/16/70/420341670.db2.gz JPYKJPFMWICESK-LBPRGKRZSA-N 2 2 295.449 -0.176 20 0 CBADLP COC[C@H](C)S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000657091174 420341674 /nfs/dbraw/zinc/34/16/74/420341674.db2.gz JPYKJPFMWICESK-LBPRGKRZSA-N 2 2 295.449 -0.176 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)N1CCC1 ZINC000657091349 420341789 /nfs/dbraw/zinc/34/17/89/420341789.db2.gz MUVWCJURBJDXPY-UHFFFAOYSA-N 2 2 278.422 -0.590 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)N1CCC1 ZINC000657091349 420341795 /nfs/dbraw/zinc/34/17/95/420341795.db2.gz MUVWCJURBJDXPY-UHFFFAOYSA-N 2 2 278.422 -0.590 20 0 CBADLP COC(=O)N1CC([NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000497246464 420344140 /nfs/dbraw/zinc/34/41/40/420344140.db2.gz PZQDPCXQUQFOBZ-VXGBXAGGSA-N 2 2 269.345 -0.206 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+]Cc2cc3n(n2)CCC3)CC1 ZINC000657334386 420353758 /nfs/dbraw/zinc/35/37/58/420353758.db2.gz YDBGTFLTOSQIGN-UHFFFAOYSA-N 2 2 277.372 -0.307 20 0 CBADLP C[N@@H+]1CC[C@](O)(CNCc2c[nH+]c3n2CCC3)C1 ZINC000657434349 420354312 /nfs/dbraw/zinc/35/43/12/420354312.db2.gz GHIBPIZQDDDFCW-ZDUSSCGKSA-N 2 2 250.346 -0.015 20 0 CBADLP C[N@H+]1CC[C@](O)(CNCc2c[nH+]c3n2CCC3)C1 ZINC000657434349 420354318 /nfs/dbraw/zinc/35/43/18/420354318.db2.gz GHIBPIZQDDDFCW-ZDUSSCGKSA-N 2 2 250.346 -0.015 20 0 CBADLP CO[C@H]1C[C@@H]([N@H+](C)CC(=O)N2CC[NH+](C)CC2)C1 ZINC000510116980 420357374 /nfs/dbraw/zinc/35/73/74/420357374.db2.gz DABQJYBFIBRSRF-TXEJJXNPSA-N 2 2 255.362 -0.130 20 0 CBADLP CO[C@H]1C[C@@H]([N@@H+](C)CC(=O)N2CC[NH+](C)CC2)C1 ZINC000510116980 420357378 /nfs/dbraw/zinc/35/73/78/420357378.db2.gz DABQJYBFIBRSRF-TXEJJXNPSA-N 2 2 255.362 -0.130 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@]1(OCCO)CCOC1 ZINC000657597808 420357866 /nfs/dbraw/zinc/35/78/66/420357866.db2.gz PPPFIQBXGCSRGN-JHJVBQTASA-N 2 2 258.362 -0.306 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@]1(OCCO)CCOC1 ZINC000657597808 420357871 /nfs/dbraw/zinc/35/78/71/420357871.db2.gz PPPFIQBXGCSRGN-JHJVBQTASA-N 2 2 258.362 -0.306 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000516969687 420368414 /nfs/dbraw/zinc/36/84/14/420368414.db2.gz PWPDPKIMEOFFLM-OAHLLOKOSA-N 2 2 298.431 -0.051 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000516969687 420368418 /nfs/dbraw/zinc/36/84/18/420368418.db2.gz PWPDPKIMEOFFLM-OAHLLOKOSA-N 2 2 298.431 -0.051 20 0 CBADLP CCOC[C@H](C)NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000517019499 420370156 /nfs/dbraw/zinc/37/01/56/420370156.db2.gz KMBKMAHRCQQLLB-QWRGUYRKSA-N 2 2 258.366 -0.304 20 0 CBADLP CCOC[C@H](C)NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000517019499 420370159 /nfs/dbraw/zinc/37/01/59/420370159.db2.gz KMBKMAHRCQQLLB-QWRGUYRKSA-N 2 2 258.366 -0.304 20 0 CBADLP C[N@@H+]1CCN(C(=O)NC[C@H]2CCCCO2)[C@@H](C[NH3+])C1 ZINC000517337640 420374008 /nfs/dbraw/zinc/37/40/08/420374008.db2.gz MZQVIXZLYHLQHG-NWDGAFQWSA-N 2 2 270.377 -0.160 20 0 CBADLP C[N@H+]1CCN(C(=O)NC[C@H]2CCCCO2)[C@@H](C[NH3+])C1 ZINC000517337640 420374013 /nfs/dbraw/zinc/37/40/13/420374013.db2.gz MZQVIXZLYHLQHG-NWDGAFQWSA-N 2 2 270.377 -0.160 20 0 CBADLP C[N@H+]1CC[C@](O)(CNC(=O)C[NH+]2CC(C)(C)C2)C1 ZINC000517245625 420374062 /nfs/dbraw/zinc/37/40/62/420374062.db2.gz XAAJQNNHIJSPSS-ZDUSSCGKSA-N 2 2 255.362 -0.489 20 0 CBADLP C[N@@H+]1CCN(C(=O)NC[C@H]2CCCCO2)[C@H](C[NH3+])C1 ZINC000517337642 420374845 /nfs/dbraw/zinc/37/48/45/420374845.db2.gz MZQVIXZLYHLQHG-VXGBXAGGSA-N 2 2 270.377 -0.160 20 0 CBADLP C[N@H+]1CCN(C(=O)NC[C@H]2CCCCO2)[C@H](C[NH3+])C1 ZINC000517337642 420374858 /nfs/dbraw/zinc/37/48/58/420374858.db2.gz MZQVIXZLYHLQHG-VXGBXAGGSA-N 2 2 270.377 -0.160 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1ccon1 ZINC000658428501 420377227 /nfs/dbraw/zinc/37/72/27/420377227.db2.gz KYTSXRRAPIVEJJ-UHFFFAOYSA-N 2 2 297.359 -0.387 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccon1 ZINC000658428501 420377228 /nfs/dbraw/zinc/37/72/28/420377228.db2.gz KYTSXRRAPIVEJJ-UHFFFAOYSA-N 2 2 297.359 -0.387 20 0 CBADLP CC[NH+]1CCN(CC(=O)NCC[N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000517796741 420379845 /nfs/dbraw/zinc/37/98/45/420379845.db2.gz NCOPPSKIZJUKHX-AWEZNQCLSA-N 2 2 298.431 -0.539 20 0 CBADLP CC[NH+]1CCN(CC(=O)NCC[N@H+]2CCO[C@@H](C)C2)CC1 ZINC000517796741 420379850 /nfs/dbraw/zinc/37/98/50/420379850.db2.gz NCOPPSKIZJUKHX-AWEZNQCLSA-N 2 2 298.431 -0.539 20 0 CBADLP CCCC[C@@H](NC(N)=O)C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000518535759 420381685 /nfs/dbraw/zinc/38/16/85/420381685.db2.gz IWMXOUYURCIVDJ-GHMZBOCLSA-N 2 2 285.392 -0.685 20 0 CBADLP CCCC[C@@H](NC(N)=O)C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000518535759 420381689 /nfs/dbraw/zinc/38/16/89/420381689.db2.gz IWMXOUYURCIVDJ-GHMZBOCLSA-N 2 2 285.392 -0.685 20 0 CBADLP C[C@H](CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])Cn1cccn1 ZINC000519753405 420387849 /nfs/dbraw/zinc/38/78/49/420387849.db2.gz MGAIBMYALNAGNA-OLZOCXBDSA-N 2 2 294.403 -0.197 20 0 CBADLP C[C@H](CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])Cn1cccn1 ZINC000519753405 420387853 /nfs/dbraw/zinc/38/78/53/420387853.db2.gz MGAIBMYALNAGNA-OLZOCXBDSA-N 2 2 294.403 -0.197 20 0 CBADLP Cc1nc(N)c(CNC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)c[nH+]1 ZINC000522004046 420393889 /nfs/dbraw/zinc/39/38/89/420393889.db2.gz JSSMEWKJBNEZBJ-LBPRGKRZSA-N 2 2 290.371 -0.627 20 0 CBADLP Cc1nc(N)c(CNC(=O)[C@@H]2C[N@H+]3CCN2CCC3)c[nH+]1 ZINC000522004046 420393892 /nfs/dbraw/zinc/39/38/92/420393892.db2.gz JSSMEWKJBNEZBJ-LBPRGKRZSA-N 2 2 290.371 -0.627 20 0 CBADLP COc1cc[nH+]cc1NC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659106713 420399379 /nfs/dbraw/zinc/39/93/79/420399379.db2.gz TWMUBEDMZJRHIX-UHFFFAOYSA-N 2 2 290.323 -0.103 20 0 CBADLP C(C[NH+]1C[C@H]2C[NH2+]C[C@H]2C1)OCC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000674232084 544899298 /nfs/dbraw/zinc/89/92/98/544899298.db2.gz OLSGZWARNHIAMV-GEEKYZPCSA-N 4 2 294.443 -0.695 20 0 CBADLP C(C[NH+]1C[C@H]2C[NH2+]C[C@H]2C1)OCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000674232084 544899303 /nfs/dbraw/zinc/89/93/03/544899303.db2.gz OLSGZWARNHIAMV-GEEKYZPCSA-N 4 2 294.443 -0.695 20 0 CBADLP C[C@@H](C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)[NH+](C)C ZINC000674287624 544901662 /nfs/dbraw/zinc/90/16/62/544901662.db2.gz KJINYJBOKRPXEB-YNEHKIRRSA-N 2 2 269.389 -0.006 20 0 CBADLP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@H]1CCC[N@@H+]1C ZINC000674275624 544901704 /nfs/dbraw/zinc/90/17/04/544901704.db2.gz IMDBAYCOPUKSKT-GFCCVEGCSA-N 2 2 282.388 -0.687 20 0 CBADLP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@H]1CCC[N@H+]1C ZINC000674275624 544901706 /nfs/dbraw/zinc/90/17/06/544901706.db2.gz IMDBAYCOPUKSKT-GFCCVEGCSA-N 2 2 282.388 -0.687 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000673662638 544883265 /nfs/dbraw/zinc/88/32/65/544883265.db2.gz QKJAJMOQRKBFIN-CHWSQXEVSA-N 2 2 278.356 -0.059 20 0 CBADLP COCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000673663014 544883830 /nfs/dbraw/zinc/88/38/30/544883830.db2.gz WUWOTLCTRYXHJO-STQMWFEESA-N 2 2 285.388 -0.456 20 0 CBADLP COCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000673663014 544883831 /nfs/dbraw/zinc/88/38/31/544883831.db2.gz WUWOTLCTRYXHJO-STQMWFEESA-N 2 2 285.388 -0.456 20 0 CBADLP COCC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000673663014 544883832 /nfs/dbraw/zinc/88/38/32/544883832.db2.gz WUWOTLCTRYXHJO-STQMWFEESA-N 2 2 285.388 -0.456 20 0 CBADLP COCC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000673663014 544883834 /nfs/dbraw/zinc/88/38/34/544883834.db2.gz WUWOTLCTRYXHJO-STQMWFEESA-N 2 2 285.388 -0.456 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000676344920 544948307 /nfs/dbraw/zinc/94/83/07/544948307.db2.gz UUCUTBWJPXTIRY-KBPBESRZSA-N 2 2 297.399 -0.314 20 0 CBADLP CC[NH+]1CCN(CC(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000676348052 544948974 /nfs/dbraw/zinc/94/89/74/544948974.db2.gz NTASWKLVUWYSGJ-UONOGXRCSA-N 2 2 298.431 -0.541 20 0 CBADLP CC[NH+]1CCN(CC(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000676348052 544948975 /nfs/dbraw/zinc/94/89/75/544948975.db2.gz NTASWKLVUWYSGJ-UONOGXRCSA-N 2 2 298.431 -0.541 20 0 CBADLP C[C@H](NC(=O)[C@H](C)N1CC[NH+](C)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000676347983 544948996 /nfs/dbraw/zinc/94/89/96/544948996.db2.gz KYUWSESCEHDERJ-MELADBBJSA-N 2 2 298.431 -0.542 20 0 CBADLP C[C@H](NC(=O)[C@H](C)N1CC[NH+](C)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000676347983 544948997 /nfs/dbraw/zinc/94/89/97/544948997.db2.gz KYUWSESCEHDERJ-MELADBBJSA-N 2 2 298.431 -0.542 20 0 CBADLP CC[NH+]1CCN(CC(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000676348050 544949203 /nfs/dbraw/zinc/94/92/03/544949203.db2.gz NTASWKLVUWYSGJ-KBPBESRZSA-N 2 2 298.431 -0.541 20 0 CBADLP CC[NH+]1CCN(CC(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000676348050 544949205 /nfs/dbraw/zinc/94/92/05/544949205.db2.gz NTASWKLVUWYSGJ-KBPBESRZSA-N 2 2 298.431 -0.541 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@H](C)[C@@H]2C[NH+](C)CCO2)C1 ZINC000676401686 544950076 /nfs/dbraw/zinc/95/00/76/544950076.db2.gz BYSLNEOMGHATAH-AGIUHOORSA-N 2 2 285.388 -0.458 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)N[C@H](C)[C@@H]2C[NH+](C)CCO2)C1 ZINC000676401686 544950081 /nfs/dbraw/zinc/95/00/81/544950081.db2.gz BYSLNEOMGHATAH-AGIUHOORSA-N 2 2 285.388 -0.458 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000676401686 544950085 /nfs/dbraw/zinc/95/00/85/544950085.db2.gz BYSLNEOMGHATAH-AGIUHOORSA-N 2 2 285.388 -0.458 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000676401686 544950088 /nfs/dbraw/zinc/95/00/88/544950088.db2.gz BYSLNEOMGHATAH-AGIUHOORSA-N 2 2 285.388 -0.458 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000676389435 544950729 /nfs/dbraw/zinc/95/07/29/544950729.db2.gz JORWQZNRUHTPHO-GFCCVEGCSA-N 2 2 264.329 -0.184 20 0 CBADLP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@H]1C[N@H+](C)CCO1 ZINC000676402066 544950833 /nfs/dbraw/zinc/95/08/33/544950833.db2.gz IZGVKXDRYMQFFA-GHMZBOCLSA-N 2 2 252.318 -0.282 20 0 CBADLP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@H]1C[N@@H+](C)CCO1 ZINC000676402066 544950836 /nfs/dbraw/zinc/95/08/36/544950836.db2.gz IZGVKXDRYMQFFA-GHMZBOCLSA-N 2 2 252.318 -0.282 20 0 CBADLP C[C@@H]1CN(C)C[C@H]1[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000674882474 544919563 /nfs/dbraw/zinc/91/95/63/544919563.db2.gz NUTWGGUXDPWFQT-OWCLPIDISA-N 2 2 296.459 -0.067 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCN(C)S(C)(=O)=O ZINC000674878363 544920969 /nfs/dbraw/zinc/92/09/69/544920969.db2.gz HBGVEPIFNUWLPY-MNOVXSKESA-N 2 2 263.407 -0.192 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCN(C)S(C)(=O)=O ZINC000674878363 544920972 /nfs/dbraw/zinc/92/09/72/544920972.db2.gz HBGVEPIFNUWLPY-MNOVXSKESA-N 2 2 263.407 -0.192 20 0 CBADLP CN(C(=O)CNC(N)=O)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000675604583 544934449 /nfs/dbraw/zinc/93/44/49/544934449.db2.gz BZIUFXDTYKNSQH-GFCCVEGCSA-N 2 2 297.403 -0.718 20 0 CBADLP CN(C(=O)CNC(N)=O)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000675604583 544934451 /nfs/dbraw/zinc/93/44/51/544934451.db2.gz BZIUFXDTYKNSQH-GFCCVEGCSA-N 2 2 297.403 -0.718 20 0 CBADLP CN(CCCn1cc[nH+]c1)C(=O)CN1CC[NH+](C)CC1 ZINC000676065320 544939703 /nfs/dbraw/zinc/93/97/03/544939703.db2.gz CIOHKZAIAUVQBL-UHFFFAOYSA-N 2 2 279.388 -0.021 20 0 CBADLP C[C@H](NC(=O)[C@H]1C[N@H+](C)CCO1)[C@@H]1C[NH+](C)CCO1 ZINC000676289882 544945840 /nfs/dbraw/zinc/94/58/40/544945840.db2.gz KFVBVSUEYFZOCP-SDDRHHMPSA-N 2 2 271.361 -0.848 20 0 CBADLP C[C@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)[C@@H]1C[NH+](C)CCO1 ZINC000676289882 544945841 /nfs/dbraw/zinc/94/58/41/544945841.db2.gz KFVBVSUEYFZOCP-SDDRHHMPSA-N 2 2 271.361 -0.848 20 0 CBADLP C[C@H](NC(=O)[C@H]1C[NH+](C)CCO1)[C@@H]1C[N@H+](C)CCO1 ZINC000676289882 544945842 /nfs/dbraw/zinc/94/58/42/544945842.db2.gz KFVBVSUEYFZOCP-SDDRHHMPSA-N 2 2 271.361 -0.848 20 0 CBADLP C[C@H](NC(=O)[C@H]1C[NH+](C)CCO1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676289882 544945843 /nfs/dbraw/zinc/94/58/43/544945843.db2.gz KFVBVSUEYFZOCP-SDDRHHMPSA-N 2 2 271.361 -0.848 20 0 CBADLP C[NH2+]C[C@H](C)NC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000659451839 420420335 /nfs/dbraw/zinc/42/03/35/420420335.db2.gz UWIMVDNJMAJSEH-QWRGUYRKSA-N 2 2 258.366 -0.386 20 0 CBADLP C[NH2+]C[C@H](C)NC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000659451839 420420339 /nfs/dbraw/zinc/42/03/39/420420339.db2.gz UWIMVDNJMAJSEH-QWRGUYRKSA-N 2 2 258.366 -0.386 20 0 CBADLP C[NH2+]C[C@@H](C)NC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000659451836 420420570 /nfs/dbraw/zinc/42/05/70/420420570.db2.gz UWIMVDNJMAJSEH-MNOVXSKESA-N 2 2 258.366 -0.386 20 0 CBADLP C[NH2+]C[C@@H](C)NC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000659451836 420420574 /nfs/dbraw/zinc/42/05/74/420420574.db2.gz UWIMVDNJMAJSEH-MNOVXSKESA-N 2 2 258.366 -0.386 20 0 CBADLP C[C@H](NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)[C@@H]1C[N@H+](C)CCO1 ZINC000659471148 420421390 /nfs/dbraw/zinc/42/13/90/420421390.db2.gz OKOYMLXQZNIPBN-QCNOEVLYSA-N 2 2 288.367 -0.214 20 0 CBADLP C[C@H](NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000659471148 420421393 /nfs/dbraw/zinc/42/13/93/420421393.db2.gz OKOYMLXQZNIPBN-QCNOEVLYSA-N 2 2 288.367 -0.214 20 0 CBADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NCC[NH+]1CCC1 ZINC000677014072 544966835 /nfs/dbraw/zinc/96/68/35/544966835.db2.gz TUVLJVRZZGLLQO-ZDUSSCGKSA-N 2 2 283.420 -0.373 20 0 CBADLP C[NH+](C)CC(=O)NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000126808908 230172298 /nfs/dbraw/zinc/17/22/98/230172298.db2.gz WJUMUATYXFWHLJ-NEPJUHHUSA-N 2 2 255.362 -0.083 20 0 CBADLP C[NH+](C)CC(=O)NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000126808908 230172302 /nfs/dbraw/zinc/17/23/02/230172302.db2.gz WJUMUATYXFWHLJ-NEPJUHHUSA-N 2 2 255.362 -0.083 20 0 CBADLP C[C@@]1(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CC[NH2+]C1 ZINC000659357491 420414396 /nfs/dbraw/zinc/41/43/96/420414396.db2.gz JAETYEAICGYOAD-GXTWGEPZSA-N 2 2 267.373 -0.081 20 0 CBADLP CC(C)OC[C@H]([NH3+])C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659359114 420416647 /nfs/dbraw/zinc/41/66/47/420416647.db2.gz WNJMYYSACWZHIM-OLZOCXBDSA-N 2 2 285.388 -0.328 20 0 CBADLP CC1(OCC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C[NH2+]C1 ZINC000659358720 420416985 /nfs/dbraw/zinc/41/69/85/420416985.db2.gz STMIDCKATDXPFB-GFCCVEGCSA-N 2 2 283.372 -0.702 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000287679430 230210907 /nfs/dbraw/zinc/21/09/07/230210907.db2.gz SOOHRYAGQQJFBD-OLZOCXBDSA-N 2 2 295.387 -0.020 20 0 CBADLP C[N@@H+]1CCN(C(=O)NCCO[C@H]2CC2(F)F)[C@H](C[NH3+])C1 ZINC000659568885 420434482 /nfs/dbraw/zinc/43/44/82/420434482.db2.gz RABXMHNJLIABNC-ZJUUUORDSA-N 2 2 292.330 -0.305 20 0 CBADLP C[N@H+]1CCN(C(=O)NCCO[C@H]2CC2(F)F)[C@H](C[NH3+])C1 ZINC000659568885 420434484 /nfs/dbraw/zinc/43/44/84/420434484.db2.gz RABXMHNJLIABNC-ZJUUUORDSA-N 2 2 292.330 -0.305 20 0 CBADLP CC[N@H+](CCO)CC[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000681109266 545043885 /nfs/dbraw/zinc/04/38/85/545043885.db2.gz ZXQKAHWWXWHPLQ-UHFFFAOYSA-N 2 2 293.433 -0.686 20 0 CBADLP CC[N@@H+](CCO)CC[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000681109266 545043886 /nfs/dbraw/zinc/04/38/86/545043886.db2.gz ZXQKAHWWXWHPLQ-UHFFFAOYSA-N 2 2 293.433 -0.686 20 0 CBADLP C[N@@H+]1CCN(C(=O)NCCO[C@@H]2CC2(F)F)[C@@H](C[NH3+])C1 ZINC000659568884 420435059 /nfs/dbraw/zinc/43/50/59/420435059.db2.gz RABXMHNJLIABNC-VHSXEESVSA-N 2 2 292.330 -0.305 20 0 CBADLP C[N@H+]1CCN(C(=O)NCCO[C@@H]2CC2(F)F)[C@@H](C[NH3+])C1 ZINC000659568884 420435062 /nfs/dbraw/zinc/43/50/62/420435062.db2.gz RABXMHNJLIABNC-VHSXEESVSA-N 2 2 292.330 -0.305 20 0 CBADLP C[NH+](C)CC(C)(C)NCC(=O)N1CC[NH+](C)CC1 ZINC000308637209 230220615 /nfs/dbraw/zinc/22/06/15/230220615.db2.gz PIBAJOMQOAGAJY-UHFFFAOYSA-N 2 2 256.394 -0.310 20 0 CBADLP CN(C)CC(C)(C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000308637209 230220619 /nfs/dbraw/zinc/22/06/19/230220619.db2.gz PIBAJOMQOAGAJY-UHFFFAOYSA-N 2 2 256.394 -0.310 20 0 CBADLP O=C(NCC[NH2+]C1CC1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659511062 420425745 /nfs/dbraw/zinc/42/57/45/420425745.db2.gz UTBSOZWMHWCBDI-ZDUSSCGKSA-N 2 2 282.388 -0.146 20 0 CBADLP CC[N@@H+]1CCN(CC(=O)N2CC[NH+](C)CC2)C[C@H]1C ZINC000678525245 545018554 /nfs/dbraw/zinc/01/85/54/545018554.db2.gz PKHJZTGVKMMMBJ-CYBMUJFWSA-N 2 2 268.405 -0.214 20 0 CBADLP CC[N@H+]1CCN(CC(=O)N2CC[NH+](C)CC2)C[C@H]1C ZINC000678525245 545018556 /nfs/dbraw/zinc/01/85/56/545018556.db2.gz PKHJZTGVKMMMBJ-CYBMUJFWSA-N 2 2 268.405 -0.214 20 0 CBADLP C[C@@H]1COCCC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000678524320 545018910 /nfs/dbraw/zinc/01/89/10/545018910.db2.gz RRRNHLKDBZBWGN-GFCCVEGCSA-N 2 2 255.362 -0.129 20 0 CBADLP C[C@@H]1COCCC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000678524320 545018911 /nfs/dbraw/zinc/01/89/11/545018911.db2.gz RRRNHLKDBZBWGN-GFCCVEGCSA-N 2 2 255.362 -0.129 20 0 CBADLP C[C@@H](O)CNc1cc(NCC[N@@H+]2CCO[C@H](C)C2)nc[nH+]1 ZINC000556842771 420430332 /nfs/dbraw/zinc/43/03/32/420430332.db2.gz YFLOLOCJWDEKQF-VXGBXAGGSA-N 2 2 295.387 0.402 20 0 CBADLP C[C@@H](O)CNc1cc(NCC[N@H+]2CCO[C@H](C)C2)nc[nH+]1 ZINC000556842771 420430336 /nfs/dbraw/zinc/43/03/36/420430336.db2.gz YFLOLOCJWDEKQF-VXGBXAGGSA-N 2 2 295.387 0.402 20 0 CBADLP [NH3+]CC(F)(F)CNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659532406 420430575 /nfs/dbraw/zinc/43/05/75/420430575.db2.gz MNPLJKNSRJXJFV-SNVBAGLBSA-N 2 2 292.330 -0.304 20 0 CBADLP C[C@@H]([NH3+])CNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659537100 420431658 /nfs/dbraw/zinc/43/16/58/420431658.db2.gz JJINWKPWZLRQDH-MNOVXSKESA-N 2 2 256.350 -0.550 20 0 CBADLP Cc1cn2c([nH+]1)CN(C(=O)[C@@H]1C[N@@H+]3CCN1CCC3)CC2 ZINC000679909029 545033847 /nfs/dbraw/zinc/03/38/47/545033847.db2.gz QSNNPSYBDUWSRJ-ZDUSSCGKSA-N 2 2 289.383 -0.076 20 0 CBADLP CC[C@@H]([NH3+])CNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659552276 420432229 /nfs/dbraw/zinc/43/22/29/420432229.db2.gz WXNMYJFNIKJQNB-VXGBXAGGSA-N 2 2 270.377 -0.160 20 0 CBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(C)(C)C(N)=O ZINC000683484743 545065330 /nfs/dbraw/zinc/06/53/30/545065330.db2.gz TYXUOVOGFDKBPJ-UHFFFAOYSA-N 2 2 298.431 -0.018 20 0 CBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(C)(C)C(N)=O ZINC000683484743 545065331 /nfs/dbraw/zinc/06/53/31/545065331.db2.gz TYXUOVOGFDKBPJ-UHFFFAOYSA-N 2 2 298.431 -0.018 20 0 CBADLP C[C@@H]1CN(C(=O)C[NH+](C)C)C[C@H](C)N1C(=O)C[NH+](C)C ZINC000684061397 545070575 /nfs/dbraw/zinc/07/05/75/545070575.db2.gz UUSVJGROUQFNGV-TXEJJXNPSA-N 2 2 284.404 -0.443 20 0 CBADLP C[C@H](NC(=O)N1CCN(C)C[C@@H]1C[NH3+])c1[nH+]ccn1C ZINC000659628331 420438642 /nfs/dbraw/zinc/43/86/42/420438642.db2.gz OQEQYSSCKVMMII-QWRGUYRKSA-N 2 2 280.376 -0.235 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659618988 420438781 /nfs/dbraw/zinc/43/87/81/420438781.db2.gz REGCLJRMLCWRJO-UHFFFAOYSA-N 2 2 282.388 -0.288 20 0 CBADLP CC(C)[C@H]([NH3+])CCNC(=O)NCC[NH+]1CCOCC1 ZINC000659625252 420438985 /nfs/dbraw/zinc/43/89/85/420438985.db2.gz ZWLRJWGEWPELJP-GFCCVEGCSA-N 2 2 272.393 -0.009 20 0 CBADLP C[C@@H](NC(=O)N1CCN(C)C[C@@H]1C[NH3+])c1[nH+]ccn1C ZINC000659628329 420439017 /nfs/dbraw/zinc/43/90/17/420439017.db2.gz OQEQYSSCKVMMII-MNOVXSKESA-N 2 2 280.376 -0.235 20 0 CBADLP C[NH+]1CCN(CCNC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000681578795 545049563 /nfs/dbraw/zinc/04/95/63/545049563.db2.gz HKXFTEOXHSVJQO-CYBMUJFWSA-N 2 2 291.399 -0.191 20 0 CBADLP COC[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)C1CCOCC1 ZINC000682133067 545054639 /nfs/dbraw/zinc/05/46/39/545054639.db2.gz RYJUMRVWFSJTHP-AWEZNQCLSA-N 2 2 299.415 -0.208 20 0 CBADLP C[NH+](C)CC(=O)NC[C@H]1CCC[C@@H]1NC(=O)C[NH+](C)C ZINC000682360827 545055691 /nfs/dbraw/zinc/05/56/91/545055691.db2.gz VGQHYDLJIOIIKM-NEPJUHHUSA-N 2 2 284.404 -0.489 20 0 CBADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000682501194 545056950 /nfs/dbraw/zinc/05/69/50/545056950.db2.gz NOEBIXQHCSDWSD-CHWSQXEVSA-N 2 2 291.399 -0.193 20 0 CBADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000682501194 545056951 /nfs/dbraw/zinc/05/69/51/545056951.db2.gz NOEBIXQHCSDWSD-CHWSQXEVSA-N 2 2 291.399 -0.193 20 0 CBADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000682501195 545057058 /nfs/dbraw/zinc/05/70/58/545057058.db2.gz NOEBIXQHCSDWSD-OLZOCXBDSA-N 2 2 291.399 -0.193 20 0 CBADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000682501195 545057059 /nfs/dbraw/zinc/05/70/59/545057059.db2.gz NOEBIXQHCSDWSD-OLZOCXBDSA-N 2 2 291.399 -0.193 20 0 CBADLP C[NH2+]C[C@H](C)NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000659641490 420443210 /nfs/dbraw/zinc/44/32/10/420443210.db2.gz GCHCQKIWGLFOCH-SDDRHHMPSA-N 2 2 270.377 -0.243 20 0 CBADLP C[NH2+]C[C@H](C)NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000659641490 420443213 /nfs/dbraw/zinc/44/32/13/420443213.db2.gz GCHCQKIWGLFOCH-SDDRHHMPSA-N 2 2 270.377 -0.243 20 0 CBADLP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000659677255 420446615 /nfs/dbraw/zinc/44/66/15/420446615.db2.gz MPIRVWYNTVOXRE-SNVBAGLBSA-N 2 2 289.339 -0.325 20 0 CBADLP CN(C)c1[nH+]cccc1CNC(=O)C(=O)N(C)CCC[NH3+] ZINC000659694744 420451273 /nfs/dbraw/zinc/45/12/73/420451273.db2.gz NZXFLSSTIOSAME-UHFFFAOYSA-N 2 2 293.371 -0.429 20 0 CBADLP COC(=O)CC[C@@H]([NH3+])C(=O)Nc1ccc(N)[nH+]c1 ZINC000570929017 420454563 /nfs/dbraw/zinc/45/45/63/420454563.db2.gz YTFICCDALLOHMY-MRVPVSSYSA-N 2 2 252.274 -0.117 20 0 CBADLP Cc1nc(N)c(CNC(=O)[C@H](C)C[NH+]2CCOCC2)c[nH+]1 ZINC000572563013 420456595 /nfs/dbraw/zinc/45/65/95/420456595.db2.gz LNHMZZGPNKNSRQ-SNVBAGLBSA-N 2 2 293.371 -0.048 20 0 CBADLP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N(C)Cc1[nH+]ccn1C ZINC000659740950 420464697 /nfs/dbraw/zinc/46/46/97/420464697.db2.gz GZCXGSUBPQGPNW-LLVKDONJSA-N 2 2 295.387 -0.132 20 0 CBADLP COC[C@H](C[NH+]1CCN(C(=O)C[NH+](C)C)CC1)OC ZINC000659839522 420473702 /nfs/dbraw/zinc/47/37/02/420473702.db2.gz YDGLKECTAYJRNN-LBPRGKRZSA-N 2 2 273.377 -0.646 20 0 CBADLP CN(C)c1nc(NCCC[N@@H+]2CCNC(=O)C2)cc[nH+]1 ZINC000584267273 420475458 /nfs/dbraw/zinc/47/54/58/420475458.db2.gz XTDUAPMDODLDBT-UHFFFAOYSA-N 2 2 278.360 -0.224 20 0 CBADLP CN(C)c1nc(NCCC[N@H+]2CCNC(=O)C2)cc[nH+]1 ZINC000584267273 420475461 /nfs/dbraw/zinc/47/54/61/420475461.db2.gz XTDUAPMDODLDBT-UHFFFAOYSA-N 2 2 278.360 -0.224 20 0 CBADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCNC(=O)C[C@@H]1C ZINC000660144655 420484859 /nfs/dbraw/zinc/48/48/59/420484859.db2.gz FUSRDFDQRAJNKL-RYUDHWBXSA-N 2 2 257.378 -0.102 20 0 CBADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCNC(=O)C[C@@H]1C ZINC000660144655 420484860 /nfs/dbraw/zinc/48/48/60/420484860.db2.gz FUSRDFDQRAJNKL-RYUDHWBXSA-N 2 2 257.378 -0.102 20 0 CBADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCNC(=O)C[C@@H]1C ZINC000660144655 420484863 /nfs/dbraw/zinc/48/48/63/420484863.db2.gz FUSRDFDQRAJNKL-RYUDHWBXSA-N 2 2 257.378 -0.102 20 0 CBADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCNC(=O)C[C@@H]1C ZINC000660144655 420484864 /nfs/dbraw/zinc/48/48/64/420484864.db2.gz FUSRDFDQRAJNKL-RYUDHWBXSA-N 2 2 257.378 -0.102 20 0 CBADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)CCNC(=O)N(C)C ZINC000660166023 420486728 /nfs/dbraw/zinc/48/67/28/420486728.db2.gz OTVVZKHSQKPWAV-LBPRGKRZSA-N 2 2 274.409 -0.110 20 0 CBADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)CCNC(=O)N(C)C ZINC000660166023 420486729 /nfs/dbraw/zinc/48/67/29/420486729.db2.gz OTVVZKHSQKPWAV-LBPRGKRZSA-N 2 2 274.409 -0.110 20 0 CBADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)CCNC(=O)N(C)C ZINC000660166023 420486730 /nfs/dbraw/zinc/48/67/30/420486730.db2.gz OTVVZKHSQKPWAV-LBPRGKRZSA-N 2 2 274.409 -0.110 20 0 CBADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)CCNC(=O)N(C)C ZINC000660166023 420486732 /nfs/dbraw/zinc/48/67/32/420486732.db2.gz OTVVZKHSQKPWAV-LBPRGKRZSA-N 2 2 274.409 -0.110 20 0 CBADLP COC(=O)c1cnc(NCC[N@H+](C)CCC[NH+](C)C)nc1 ZINC000596425821 420488642 /nfs/dbraw/zinc/48/86/42/420488642.db2.gz WFOUKMKULDIHLS-UHFFFAOYSA-N 2 2 295.387 0.559 20 0 CBADLP COC(=O)c1cnc(NCC[N@@H+](C)CCC[NH+](C)C)nc1 ZINC000596425821 420488645 /nfs/dbraw/zinc/48/86/45/420488645.db2.gz WFOUKMKULDIHLS-UHFFFAOYSA-N 2 2 295.387 0.559 20 0 CBADLP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@H]1C(=O)NCC[C@H]1C ZINC000660477403 420491775 /nfs/dbraw/zinc/49/17/75/420491775.db2.gz JSLHPTJWOTYCDN-GRYCIOLGSA-N 2 2 257.378 -0.198 20 0 CBADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@H]1C(=O)NCC[C@H]1C ZINC000660477403 420491776 /nfs/dbraw/zinc/49/17/76/420491776.db2.gz JSLHPTJWOTYCDN-GRYCIOLGSA-N 2 2 257.378 -0.198 20 0 CBADLP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)CN3CC[NH2+]CC3=O)C[C@@H]21 ZINC000518531825 260449195 /nfs/dbraw/zinc/44/91/95/260449195.db2.gz CBEBVXATCDFCCY-GRYCIOLGSA-N 2 2 280.372 -0.996 20 0 CBADLP CN(C)c1[nH+]cc(C[NH2+]C[C@H](O)Cn2cccn2)n1C ZINC000518964891 265251743 /nfs/dbraw/zinc/25/17/43/265251743.db2.gz FOIASQCQKHAQQW-LBPRGKRZSA-N 2 2 278.360 -0.167 20 0 CBADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000246061880 276154242 /nfs/dbraw/zinc/15/42/42/276154242.db2.gz BFSPSJRGAYJWGT-UONOGXRCSA-N 2 2 280.416 -0.023 20 0 CBADLP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000246061880 276154245 /nfs/dbraw/zinc/15/42/45/276154245.db2.gz BFSPSJRGAYJWGT-UONOGXRCSA-N 2 2 280.416 -0.023 20 0 CBADLP CCNC(=O)CC[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000131584683 276256259 /nfs/dbraw/zinc/25/62/59/276256259.db2.gz SEDFRXQLPNRBKY-CYBMUJFWSA-N 2 2 296.415 -0.073 20 0 CBADLP CCNC(=O)CC[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000131584683 276256260 /nfs/dbraw/zinc/25/62/60/276256260.db2.gz SEDFRXQLPNRBKY-CYBMUJFWSA-N 2 2 296.415 -0.073 20 0 CBADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC000072858622 276308069 /nfs/dbraw/zinc/30/80/69/276308069.db2.gz DVVXQRDNVLUTTR-VHSXEESVSA-N 2 2 256.350 -0.157 20 0 CBADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC000072858622 276308071 /nfs/dbraw/zinc/30/80/71/276308071.db2.gz DVVXQRDNVLUTTR-VHSXEESVSA-N 2 2 256.350 -0.157 20 0 CBADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC000072858622 276308072 /nfs/dbraw/zinc/30/80/72/276308072.db2.gz DVVXQRDNVLUTTR-VHSXEESVSA-N 2 2 256.350 -0.157 20 0 CBADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC000072858622 276308074 /nfs/dbraw/zinc/30/80/74/276308074.db2.gz DVVXQRDNVLUTTR-VHSXEESVSA-N 2 2 256.350 -0.157 20 0 CBADLP CNC(=O)NC(=O)CC[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000373135898 277003335 /nfs/dbraw/zinc/00/33/35/277003335.db2.gz BKVHQFDCPADOMD-QWRGUYRKSA-N 2 2 268.361 -0.142 20 0 CBADLP CNC(=O)NC(=O)CC[N@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000373135898 277003336 /nfs/dbraw/zinc/00/33/36/277003336.db2.gz BKVHQFDCPADOMD-QWRGUYRKSA-N 2 2 268.361 -0.142 20 0 CBADLP CNC(=O)NC(=O)CC[NH+]1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000373135898 277003338 /nfs/dbraw/zinc/00/33/38/277003338.db2.gz BKVHQFDCPADOMD-QWRGUYRKSA-N 2 2 268.361 -0.142 20 0 CBADLP CNC(=O)NC(=O)CC[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000373135898 277003340 /nfs/dbraw/zinc/00/33/40/277003340.db2.gz BKVHQFDCPADOMD-QWRGUYRKSA-N 2 2 268.361 -0.142 20 0 CBADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@]23C[C@H]2CC[NH2+]3)[C@@H](C)C1 ZINC000515234253 277057602 /nfs/dbraw/zinc/05/76/02/277057602.db2.gz DWULZUWSCLENMY-ZOWXZIJZSA-N 2 2 295.383 -0.166 20 0 CBADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@]23C[C@H]2CC[NH2+]3)[C@@H](C)C1 ZINC000515234253 277057603 /nfs/dbraw/zinc/05/76/03/277057603.db2.gz DWULZUWSCLENMY-ZOWXZIJZSA-N 2 2 295.383 -0.166 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[NH2+][C@H](c3cccnc3)C2)C1 ZINC000328663670 277117875 /nfs/dbraw/zinc/11/78/75/277117875.db2.gz YCMNZKXMIGOOMA-UONOGXRCSA-N 2 2 290.367 -0.115 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N2CC[NH2+][C@H](c3cccnc3)C2)C1 ZINC000328663670 277117876 /nfs/dbraw/zinc/11/78/76/277117876.db2.gz YCMNZKXMIGOOMA-UONOGXRCSA-N 2 2 290.367 -0.115 20 0 CBADLP COC(=O)[C@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)CC1(C)C ZINC000378373267 277135064 /nfs/dbraw/zinc/13/50/64/277135064.db2.gz BIWXXGWEKSATBG-GFCCVEGCSA-N 2 2 297.399 -0.109 20 0 CBADLP COC(=O)[C@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)CC1(C)C ZINC000378373267 277135065 /nfs/dbraw/zinc/13/50/65/277135065.db2.gz BIWXXGWEKSATBG-GFCCVEGCSA-N 2 2 297.399 -0.109 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)C1 ZINC000352799068 277142678 /nfs/dbraw/zinc/14/26/78/277142678.db2.gz VYFSZYYMWFTHCU-UPJWGTAASA-N 2 2 267.373 -0.130 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)C1 ZINC000352799068 277142679 /nfs/dbraw/zinc/14/26/79/277142679.db2.gz VYFSZYYMWFTHCU-UPJWGTAASA-N 2 2 267.373 -0.130 20 0 CBADLP C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC000352799068 277142680 /nfs/dbraw/zinc/14/26/80/277142680.db2.gz VYFSZYYMWFTHCU-UPJWGTAASA-N 2 2 267.373 -0.130 20 0 CBADLP C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC000352799068 277142681 /nfs/dbraw/zinc/14/26/81/277142681.db2.gz VYFSZYYMWFTHCU-UPJWGTAASA-N 2 2 267.373 -0.130 20 0 CBADLP COC(=O)[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)[C@@H]1C ZINC000347213482 277351982 /nfs/dbraw/zinc/35/19/82/277351982.db2.gz PPSQHNHVTRQSGZ-VXGBXAGGSA-N 2 2 283.372 -0.356 20 0 CBADLP COC(=O)[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)[C@@H]1C ZINC000347213482 277351984 /nfs/dbraw/zinc/35/19/84/277351984.db2.gz PPSQHNHVTRQSGZ-VXGBXAGGSA-N 2 2 283.372 -0.356 20 0 CBADLP C[C@@H]([NH3+])C(=O)N1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000378213230 277596082 /nfs/dbraw/zinc/59/60/82/277596082.db2.gz YQJUNLWOBGJGPL-MNOVXSKESA-N 2 2 268.361 -0.854 20 0 CBADLP CC(C)[C@@](C)(CO)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000352919681 277849427 /nfs/dbraw/zinc/84/94/27/277849427.db2.gz XJEMDBXLJDTJAM-CYBMUJFWSA-N 2 2 257.378 -0.243 20 0 CBADLP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000126138973 277904225 /nfs/dbraw/zinc/90/42/25/277904225.db2.gz IBRYNSSKNCYREM-JQWIXIFHSA-N 2 2 281.360 -0.513 20 0 CBADLP CC(C)(C)NC(=O)NC(=O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107577322 278365065 /nfs/dbraw/zinc/36/50/65/278365065.db2.gz MPYAKIXWISSYQS-AOOOYVTPSA-N 2 2 268.361 -0.238 20 0 CBADLP CC(C)(C)NC(=O)NC(=O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107577322 278365066 /nfs/dbraw/zinc/36/50/66/278365066.db2.gz MPYAKIXWISSYQS-AOOOYVTPSA-N 2 2 268.361 -0.238 20 0 CBADLP CC[N@H+](C)CCNC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000171726499 279030401 /nfs/dbraw/zinc/03/04/01/279030401.db2.gz ZYYACYDWNCIPNP-ZDUSSCGKSA-N 2 2 285.436 -0.127 20 0 CBADLP CC[N@@H+](C)CCNC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000171726499 279030402 /nfs/dbraw/zinc/03/04/02/279030402.db2.gz ZYYACYDWNCIPNP-ZDUSSCGKSA-N 2 2 285.436 -0.127 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC2(COC(=O)N2)CC1 ZINC000496400501 279037555 /nfs/dbraw/zinc/03/75/55/279037555.db2.gz QSLIZIBZASYLAW-NSHDSACASA-N 2 2 271.361 -0.127 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC2(COC(=O)N2)CC1 ZINC000496400501 279037557 /nfs/dbraw/zinc/03/75/57/279037557.db2.gz QSLIZIBZASYLAW-NSHDSACASA-N 2 2 271.361 -0.127 20 0 CBADLP CC[N@H+](CC(=O)NC[C@H]1C[NH+]2CCN1CC2)C1CC1 ZINC000179185828 279055173 /nfs/dbraw/zinc/05/51/73/279055173.db2.gz QIHMPBRPBDMKIC-ZDUSSCGKSA-N 2 2 266.389 -0.413 20 0 CBADLP CC[N@@H+](CC(=O)NC[C@H]1C[NH+]2CCN1CC2)C1CC1 ZINC000179185828 279055174 /nfs/dbraw/zinc/05/51/74/279055174.db2.gz QIHMPBRPBDMKIC-ZDUSSCGKSA-N 2 2 266.389 -0.413 20 0 CBADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000333126051 279180195 /nfs/dbraw/zinc/18/01/95/279180195.db2.gz IYRBGHWRAHBZQA-SRVKXCTJSA-N 2 2 255.362 -0.051 20 0 CBADLP CC(C)C[C@H]([NH3+])C[N@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000333126051 279180197 /nfs/dbraw/zinc/18/01/97/279180197.db2.gz IYRBGHWRAHBZQA-SRVKXCTJSA-N 2 2 255.362 -0.051 20 0 CBADLP CCN1C(=O)[C@@H]2C[N@H+](Cc3c[nH+]cn3C)CCN2C1=O ZINC000371923410 279251259 /nfs/dbraw/zinc/25/12/59/279251259.db2.gz QKIBWJTXWCVCOJ-NSHDSACASA-N 2 2 277.328 -0.112 20 0 CBADLP CCN1C(=O)[C@@H]2C[N@@H+](Cc3c[nH+]cn3C)CCN2C1=O ZINC000371923410 279251261 /nfs/dbraw/zinc/25/12/61/279251261.db2.gz QKIBWJTXWCVCOJ-NSHDSACASA-N 2 2 277.328 -0.112 20 0 CBADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000342688952 288121612 /nfs/dbraw/zinc/12/16/12/288121612.db2.gz QYDKMTICNDFGFC-WXHSDQCUSA-N 2 2 267.373 -0.084 20 0 CBADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000342688952 288121613 /nfs/dbraw/zinc/12/16/13/288121613.db2.gz QYDKMTICNDFGFC-WXHSDQCUSA-N 2 2 267.373 -0.084 20 0 CBADLP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000342688952 288121615 /nfs/dbraw/zinc/12/16/15/288121615.db2.gz QYDKMTICNDFGFC-WXHSDQCUSA-N 2 2 267.373 -0.084 20 0 CBADLP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000342688952 288121617 /nfs/dbraw/zinc/12/16/17/288121617.db2.gz QYDKMTICNDFGFC-WXHSDQCUSA-N 2 2 267.373 -0.084 20 0 CBADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCCNS(C)(=O)=O ZINC000359677567 288132056 /nfs/dbraw/zinc/13/20/56/288132056.db2.gz MQFDZTMZVPPSLN-ZYHUDNBSSA-N 2 2 275.418 -0.002 20 0 CBADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCCNS(C)(=O)=O ZINC000359677567 288132057 /nfs/dbraw/zinc/13/20/57/288132057.db2.gz MQFDZTMZVPPSLN-ZYHUDNBSSA-N 2 2 275.418 -0.002 20 0 CBADLP O=C(C1C[NH2+]C1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000262289606 279743821 /nfs/dbraw/zinc/74/38/21/279743821.db2.gz XLWUBFOWVJZWRR-CYBMUJFWSA-N 2 2 267.373 -0.081 20 0 CBADLP CCS(=O)(=O)NCC[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000420373585 280026442 /nfs/dbraw/zinc/02/64/42/280026442.db2.gz RJRCMSRABHYEDD-OUAUKWLOSA-N 2 2 263.407 -0.098 20 0 CBADLP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@H]1COCC[NH2+]1 ZINC000251842589 288311185 /nfs/dbraw/zinc/31/11/85/288311185.db2.gz QPMPXDNCFDUXRE-GRYCIOLGSA-N 2 2 253.346 -0.330 20 0 CBADLP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@H]1COCC[NH2+]1 ZINC000251842589 288311187 /nfs/dbraw/zinc/31/11/87/288311187.db2.gz QPMPXDNCFDUXRE-GRYCIOLGSA-N 2 2 253.346 -0.330 20 0 CBADLP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000423651784 288315744 /nfs/dbraw/zinc/31/57/44/288315744.db2.gz QHXPYYVWNCFCPW-LLVKDONJSA-N 2 2 280.372 -0.887 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCN1CCN(C(=O)C[NH+](C)C)CC1 ZINC000192696300 288343998 /nfs/dbraw/zinc/34/39/98/288343998.db2.gz TZQOIFCHOAHETM-CQSZACIVSA-N 2 2 298.431 -0.587 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCN1CCN(C(=O)C[NH+](C)C)CC1 ZINC000192696300 288344000 /nfs/dbraw/zinc/34/40/00/288344000.db2.gz TZQOIFCHOAHETM-CQSZACIVSA-N 2 2 298.431 -0.587 20 0 CBADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1N1CC[NH+](CCO)CC1 ZINC000377026237 288526911 /nfs/dbraw/zinc/52/69/11/288526911.db2.gz AHMHKAJTQTUKHJ-HUUCEWRRSA-N 2 2 298.431 -0.694 20 0 CBADLP C[C@@H]1[C@H](C)N(C(=O)[C@H]2C[NH+](C)CCO2)CC[N@H+]1C ZINC000356901587 289011626 /nfs/dbraw/zinc/01/16/26/289011626.db2.gz MWRFSOKXLPLJRO-GRYCIOLGSA-N 2 2 255.362 -0.132 20 0 CBADLP C[C@@H]1[C@H](C)N(C(=O)[C@H]2C[NH+](C)CCO2)CC[N@@H+]1C ZINC000356901587 289011627 /nfs/dbraw/zinc/01/16/27/289011627.db2.gz MWRFSOKXLPLJRO-GRYCIOLGSA-N 2 2 255.362 -0.132 20 0 CBADLP C[C@@H]1[C@H](C)N(C(=O)[C@H]2C[N@H+](C)CCO2)CC[NH+]1C ZINC000356901587 289011628 /nfs/dbraw/zinc/01/16/28/289011628.db2.gz MWRFSOKXLPLJRO-GRYCIOLGSA-N 2 2 255.362 -0.132 20 0 CBADLP C[C@@H]1[C@H](C)N(C(=O)[C@H]2C[N@@H+](C)CCO2)CC[NH+]1C ZINC000356901587 289011629 /nfs/dbraw/zinc/01/16/29/289011629.db2.gz MWRFSOKXLPLJRO-GRYCIOLGSA-N 2 2 255.362 -0.132 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C[C@H]1COCC[NH2+]1 ZINC000128941508 289616001 /nfs/dbraw/zinc/61/60/01/289616001.db2.gz WPDBOXYDRPTKOD-NEPJUHHUSA-N 2 2 271.361 -0.798 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000094565620 289755647 /nfs/dbraw/zinc/75/56/47/289755647.db2.gz CNDITACXISGTIV-MXWKQRLJSA-N 2 2 252.318 -0.106 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@]23CCOC3=O)CC1 ZINC000367274693 290010798 /nfs/dbraw/zinc/01/07/98/290010798.db2.gz OFQOIRAFANAHPV-OAHLLOKOSA-N 2 2 295.383 -0.068 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@]23CCOC3=O)CC1 ZINC000367274693 290010799 /nfs/dbraw/zinc/01/07/99/290010799.db2.gz OFQOIRAFANAHPV-OAHLLOKOSA-N 2 2 295.383 -0.068 20 0 CBADLP C[C@H](O)C[N@H+](C)C1CC[NH+]([C@@H]2COC[C@H]2O)CC1 ZINC000361294195 290078124 /nfs/dbraw/zinc/07/81/24/290078124.db2.gz CWOLGEXWZYTDJU-CYZMBNFOSA-N 2 2 258.362 -0.477 20 0 CBADLP C[C@H](O)C[N@@H+](C)C1CC[NH+]([C@@H]2COC[C@H]2O)CC1 ZINC000361294195 290078126 /nfs/dbraw/zinc/07/81/26/290078126.db2.gz CWOLGEXWZYTDJU-CYZMBNFOSA-N 2 2 258.362 -0.477 20 0 CBADLP C[N@@H+]1CC[C@]2(CC[NH+](CCNS(C)(=O)=O)C2)C1 ZINC000368312799 290251719 /nfs/dbraw/zinc/25/17/19/290251719.db2.gz ARSALGVYCQEJPI-NSHDSACASA-N 2 2 261.391 -0.437 20 0 CBADLP C[N@H+]1CC[C@]2(CC[NH+](CCNS(C)(=O)=O)C2)C1 ZINC000368312799 290251721 /nfs/dbraw/zinc/25/17/21/290251721.db2.gz ARSALGVYCQEJPI-NSHDSACASA-N 2 2 261.391 -0.437 20 0 CBADLP C[NH+]1CC[C@]2(CC[N@H+](CCNS(C)(=O)=O)C2)C1 ZINC000368312799 290251722 /nfs/dbraw/zinc/25/17/22/290251722.db2.gz ARSALGVYCQEJPI-NSHDSACASA-N 2 2 261.391 -0.437 20 0 CBADLP C[NH+]1CC[C@]2(CC[N@@H+](CCNS(C)(=O)=O)C2)C1 ZINC000368312799 290251725 /nfs/dbraw/zinc/25/17/25/290251725.db2.gz ARSALGVYCQEJPI-NSHDSACASA-N 2 2 261.391 -0.437 20 0 CBADLP C[C@H]1C(=O)N(C)CC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338322643 290297759 /nfs/dbraw/zinc/29/77/59/290297759.db2.gz QUDZDVLCCNAFSI-LBPRGKRZSA-N 2 2 282.388 -0.687 20 0 CBADLP C[C@H]1C(=O)N(C)CC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338322643 290297760 /nfs/dbraw/zinc/29/77/60/290297760.db2.gz QUDZDVLCCNAFSI-LBPRGKRZSA-N 2 2 282.388 -0.687 20 0 CBADLP COC[C@H]([NH3+])C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000353803358 293118141 /nfs/dbraw/zinc/11/81/41/293118141.db2.gz KKLUSEWNVFKIFC-NWDGAFQWSA-N 2 2 273.377 -0.567 20 0 CBADLP C[C@H]1CN(C(=O)[C@@H]2CCC[NH+]2C)CC[N@H+]1CCO ZINC000428140673 300165934 /nfs/dbraw/zinc/16/59/34/300165934.db2.gz GAYYOPQWEVAQLI-RYUDHWBXSA-N 2 2 255.362 -0.394 20 0 CBADLP C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CC[NH+]1CCO ZINC000428140673 300165936 /nfs/dbraw/zinc/16/59/36/300165936.db2.gz GAYYOPQWEVAQLI-RYUDHWBXSA-N 2 2 255.362 -0.394 20 0 CBADLP C[C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)CC[NH+]1CCO ZINC000428140673 300165938 /nfs/dbraw/zinc/16/59/38/300165938.db2.gz GAYYOPQWEVAQLI-RYUDHWBXSA-N 2 2 255.362 -0.394 20 0 CBADLP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000342706047 297533459 /nfs/dbraw/zinc/53/34/59/297533459.db2.gz LLNLFEYSMMEJTP-RYUDHWBXSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@H](C(=O)N(C)C)[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000051760833 297963914 /nfs/dbraw/zinc/96/39/14/297963914.db2.gz BGCBQUDRHJIFJA-LLVKDONJSA-N 2 2 270.377 -0.831 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CCCC2(CCC[N@@H+]([C@H](C)C(N)=O)C2)C1 ZINC000352018799 298242406 /nfs/dbraw/zinc/24/24/06/298242406.db2.gz SISMSMWUXYGODI-IQQIRFCMSA-N 2 2 296.415 -0.088 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CCCC2(CCC[N@H+]([C@H](C)C(N)=O)C2)C1 ZINC000352018799 298242409 /nfs/dbraw/zinc/24/24/09/298242409.db2.gz SISMSMWUXYGODI-IQQIRFCMSA-N 2 2 296.415 -0.088 20 0 CBADLP C[C@H](NC(=O)C[N@@H+]1CC[C@H]([NH3+])C[C@H]1C)C(=O)N(C)C ZINC000515308272 299055969 /nfs/dbraw/zinc/05/59/69/299055969.db2.gz IMAFJWPKNYOLFH-VWYCJHECSA-N 2 2 270.377 -0.609 20 0 CBADLP C[C@H](NC(=O)C[N@H+]1CC[C@H]([NH3+])C[C@H]1C)C(=O)N(C)C ZINC000515308272 299055973 /nfs/dbraw/zinc/05/59/73/299055973.db2.gz IMAFJWPKNYOLFH-VWYCJHECSA-N 2 2 270.377 -0.609 20 0 CBADLP C[C@H]1CN(C(=O)[C@@H]2CCC[NH+]2C)CC[N@@H+]1CCO ZINC000428140673 300165931 /nfs/dbraw/zinc/16/59/31/300165931.db2.gz GAYYOPQWEVAQLI-RYUDHWBXSA-N 2 2 255.362 -0.394 20 0 CBADLP C[C@H]1CN(C(=O)[C@H]2C[NH2+]CCO2)C[C@H]1[NH+]1CCOCC1 ZINC000188269618 300178158 /nfs/dbraw/zinc/17/81/58/300178158.db2.gz CCUBOSBKJIFLRB-YNEHKIRRSA-N 2 2 283.372 -0.846 20 0 CBADLP C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000342706050 300571593 /nfs/dbraw/zinc/57/15/93/300571593.db2.gz LLNLFEYSMMEJTP-VXGBXAGGSA-N 2 2 296.415 -0.217 20 0 CBADLP [NH2+]=C(NO)[C@H]1CCCCN1C[C@@H](O)C[NH+]1CCOCC1 ZINC000368526688 303220305 /nfs/dbraw/zinc/22/03/05/303220305.db2.gz UJKYDEROPUIMRB-NWDGAFQWSA-N 2 2 286.376 -0.510 20 0 CBADLP O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)[C@H]1C[NH2+]CCO1 ZINC000361717953 303841703 /nfs/dbraw/zinc/84/17/03/303841703.db2.gz KGTXOJFZVNWGNC-MGPQQGTHSA-N 2 2 297.399 -0.266 20 0 CBADLP O=C(CCCC[NH+]1CCOCC1)NCC[NH+]1CCOCC1 ZINC000170681112 327652114 /nfs/dbraw/zinc/65/21/14/327652114.db2.gz XZZWKAJUJYDKAO-UHFFFAOYSA-N 2 2 299.415 -0.063 20 0 CBADLP CC[N@H+](C)C[C@H](O)CN1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000563351363 328057118 /nfs/dbraw/zinc/05/71/18/328057118.db2.gz ZMCOOAFFCZJCGM-LBPRGKRZSA-N 2 2 286.420 -0.820 20 0 CBADLP CC[N@@H+](C)C[C@H](O)CN1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000563351363 328057119 /nfs/dbraw/zinc/05/71/19/328057119.db2.gz ZMCOOAFFCZJCGM-LBPRGKRZSA-N 2 2 286.420 -0.820 20 0 CBADLP CCOC(=O)[C@H](CC)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000563439555 328065540 /nfs/dbraw/zinc/06/55/40/328065540.db2.gz GUJVNQRHIAQFTQ-AXFHLTTASA-N 2 2 269.345 -0.428 20 0 CBADLP CCOC(=O)[C@H](CC)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000563439555 328065542 /nfs/dbraw/zinc/06/55/42/328065542.db2.gz GUJVNQRHIAQFTQ-AXFHLTTASA-N 2 2 269.345 -0.428 20 0 CBADLP CC(C)CNC(=O)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000563441451 328066369 /nfs/dbraw/zinc/06/63/69/328066369.db2.gz LLZXKWHVUVMBAW-MNOVXSKESA-N 2 2 268.361 -0.998 20 0 CBADLP CC(C)CNC(=O)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000563441451 328066370 /nfs/dbraw/zinc/06/63/70/328066370.db2.gz LLZXKWHVUVMBAW-MNOVXSKESA-N 2 2 268.361 -0.998 20 0 CBADLP CC(C)CNC(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000563441449 328066475 /nfs/dbraw/zinc/06/64/75/328066475.db2.gz LLZXKWHVUVMBAW-GHMZBOCLSA-N 2 2 268.361 -0.998 20 0 CBADLP CC(C)CNC(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000563441449 328066477 /nfs/dbraw/zinc/06/64/77/328066477.db2.gz LLZXKWHVUVMBAW-GHMZBOCLSA-N 2 2 268.361 -0.998 20 0 CBADLP C[C@@H]1C[NH2+]CCN1C(=O)c1cc([C@@H]2CC[NH2+]C2)[nH]n1 ZINC000563534966 328072345 /nfs/dbraw/zinc/07/23/45/328072345.db2.gz MOLGKMMSUSJDCQ-NXEZZACHSA-N 2 2 263.345 -0.080 20 0 CBADLP CC[C@H]([NH3+])C(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000563621167 328077665 /nfs/dbraw/zinc/07/76/65/328077665.db2.gz XCRQECRGWGOBHG-NSHDSACASA-N 2 2 265.361 -0.198 20 0 CBADLP C[C@@H](C(=O)NC[C@H]1C[N@H+](C)CCO1)[NH+]1CC(C)C1 ZINC000571102057 328086653 /nfs/dbraw/zinc/08/66/53/328086653.db2.gz DOOJCBPYFSROFN-RYUDHWBXSA-N 2 2 255.362 -0.227 20 0 CBADLP C[C@@H](C(=O)NC[C@H]1C[N@@H+](C)CCO1)[NH+]1CC(C)C1 ZINC000571102057 328086654 /nfs/dbraw/zinc/08/66/54/328086654.db2.gz DOOJCBPYFSROFN-RYUDHWBXSA-N 2 2 255.362 -0.227 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH2+][C@H](C)c1cn[nH]c1 ZINC000571222422 328093016 /nfs/dbraw/zinc/09/30/16/328093016.db2.gz MYPHVNLODLHDKO-ZYHUDNBSSA-N 2 2 256.350 -0.001 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)c1cn[nH]c1 ZINC000571222422 328093017 /nfs/dbraw/zinc/09/30/17/328093017.db2.gz MYPHVNLODLHDKO-ZYHUDNBSSA-N 2 2 256.350 -0.001 20 0 CBADLP C[NH+]1CCN(C(=O)C(=O)N2CCC(CC[NH3+])CC2)CC1 ZINC000571291337 328099655 /nfs/dbraw/zinc/09/96/55/328099655.db2.gz FVCRRYLGBCRLLI-UHFFFAOYSA-N 2 2 282.388 -0.652 20 0 CBADLP CC(C)[N@@H+](C)C[C@@H](C)NC[C@@H](O)C[NH+]1CCN(C)CC1 ZINC000571316239 328104861 /nfs/dbraw/zinc/10/48/61/328104861.db2.gz YKSZYNAJWKVIEP-HUUCEWRRSA-N 2 2 286.464 -0.087 20 0 CBADLP CC(C)[N@H+](C)C[C@@H](C)NC[C@@H](O)C[NH+]1CCN(C)CC1 ZINC000571316239 328104863 /nfs/dbraw/zinc/10/48/63/328104863.db2.gz YKSZYNAJWKVIEP-HUUCEWRRSA-N 2 2 286.464 -0.087 20 0 CBADLP CC(C)[N@@H+](C)C[C@@H](C)NC[C@@H](O)CN1CC[NH+](C)CC1 ZINC000571316239 328104865 /nfs/dbraw/zinc/10/48/65/328104865.db2.gz YKSZYNAJWKVIEP-HUUCEWRRSA-N 2 2 286.464 -0.087 20 0 CBADLP CC(C)[N@H+](C)C[C@@H](C)NC[C@@H](O)CN1CC[NH+](C)CC1 ZINC000571316239 328104866 /nfs/dbraw/zinc/10/48/66/328104866.db2.gz YKSZYNAJWKVIEP-HUUCEWRRSA-N 2 2 286.464 -0.087 20 0 CBADLP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000571315309 328104447 /nfs/dbraw/zinc/10/44/47/328104447.db2.gz FLLQNYNIMCMKAO-BZUAXINKSA-N 3 2 296.459 -0.189 20 0 CBADLP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000571315309 328104448 /nfs/dbraw/zinc/10/44/48/328104448.db2.gz FLLQNYNIMCMKAO-BZUAXINKSA-N 3 2 296.459 -0.189 20 0 CBADLP C[C@@H]1CCCCN1C(=O)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000571344564 328113610 /nfs/dbraw/zinc/11/36/10/328113610.db2.gz ULZLAGMCEPTCGS-AGIUHOORSA-N 2 2 294.399 -0.369 20 0 CBADLP C[C@@H]1CCCCN1C(=O)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000571344564 328113612 /nfs/dbraw/zinc/11/36/12/328113612.db2.gz ULZLAGMCEPTCGS-AGIUHOORSA-N 2 2 294.399 -0.369 20 0 CBADLP C[NH2+]C1CC[NH+](CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000571404134 328119533 /nfs/dbraw/zinc/11/95/33/328119533.db2.gz IKXXQPSZRZIJRJ-UHFFFAOYSA-N 3 2 268.405 -0.166 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)CCNC(C)=O)CC1 ZINC000571520212 328131880 /nfs/dbraw/zinc/13/18/80/328131880.db2.gz IWNAPIKIYNMGJJ-GFCCVEGCSA-N 2 2 284.404 -0.393 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)CCNC(C)=O)CC1 ZINC000571520212 328131881 /nfs/dbraw/zinc/13/18/81/328131881.db2.gz IWNAPIKIYNMGJJ-GFCCVEGCSA-N 2 2 284.404 -0.393 20 0 CBADLP C[NH2+]C[C@@H](O)C[NH2+]CCS(=O)(=O)c1ccc(F)cc1 ZINC000571642112 328168782 /nfs/dbraw/zinc/16/87/82/328168782.db2.gz GFHLEJTXOHQMLV-LLVKDONJSA-N 2 2 290.360 -0.231 20 0 CBADLP O=C(Cn1cc[nH+]c1)NCCC[NH+]1CCOCC1 ZINC000575797835 328194464 /nfs/dbraw/zinc/19/44/64/328194464.db2.gz DNPKVOBIXPQABY-UHFFFAOYSA-N 2 2 252.318 -0.278 20 0 CBADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+][C@@H]2CC[C@H]2O)C[C@H](C)O1 ZINC000582786284 329196476 /nfs/dbraw/zinc/19/64/76/329196476.db2.gz YCGOZSSZBRXXOK-NZEXEKPDSA-N 2 2 258.362 -0.431 20 0 CBADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+][C@@H]2CC[C@H]2O)C[C@H](C)O1 ZINC000582786284 329196478 /nfs/dbraw/zinc/19/64/78/329196478.db2.gz YCGOZSSZBRXXOK-NZEXEKPDSA-N 2 2 258.362 -0.431 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(O)(COC)CC1 ZINC000576000032 327007543 /nfs/dbraw/zinc/00/75/43/327007543.db2.gz SFKXGLXUOGWYQG-LBPRGKRZSA-N 2 2 260.378 -0.228 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(O)(COC)CC1 ZINC000576000032 327007544 /nfs/dbraw/zinc/00/75/44/327007544.db2.gz SFKXGLXUOGWYQG-LBPRGKRZSA-N 2 2 260.378 -0.228 20 0 CBADLP COCC[N@@H+]1CCC[C@H]1C[NH2+]CCC(=O)NC(N)=O ZINC000564844977 327008867 /nfs/dbraw/zinc/00/88/67/327008867.db2.gz PBQLEEDSHDJSBI-JTQLQIEISA-N 2 2 272.349 -0.728 20 0 CBADLP COCC[N@H+]1CCC[C@H]1C[NH2+]CCC(=O)NC(N)=O ZINC000564844977 327008869 /nfs/dbraw/zinc/00/88/69/327008869.db2.gz PBQLEEDSHDJSBI-JTQLQIEISA-N 2 2 272.349 -0.728 20 0 CBADLP COC(=O)CC[N@@H+]1CCN(C(=O)Cn2cc[nH+]c2)[C@@H](C)C1 ZINC000557585431 327014168 /nfs/dbraw/zinc/01/41/68/327014168.db2.gz NPCMUOCKHOZCJS-LBPRGKRZSA-N 2 2 294.355 -0.021 20 0 CBADLP COC(=O)CC[N@H+]1CCN(C(=O)Cn2cc[nH+]c2)[C@@H](C)C1 ZINC000557585431 327014169 /nfs/dbraw/zinc/01/41/69/327014169.db2.gz NPCMUOCKHOZCJS-LBPRGKRZSA-N 2 2 294.355 -0.021 20 0 CBADLP C[C@H]1C[NH+](CCC(=O)N2CC[NH2+]CC2)C[C@H](C)N1 ZINC000576636978 327036754 /nfs/dbraw/zinc/03/67/54/327036754.db2.gz NKGAOYPADQUFHY-RYUDHWBXSA-N 2 2 254.378 -0.510 20 0 CBADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCNC(=O)c1cnccn1 ZINC000584166931 327054753 /nfs/dbraw/zinc/05/47/53/327054753.db2.gz RBENVRJCSVVXKS-QWRGUYRKSA-N 2 2 263.345 -0.206 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH2+][C@H]1C(=O)NCC[C@H]1C ZINC000584180322 327060742 /nfs/dbraw/zinc/06/07/42/327060742.db2.gz JFTAGMWGRGRZKW-IJLUTSLNSA-N 2 2 273.377 -0.960 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1C(=O)NCC[C@H]1C ZINC000584180322 327060744 /nfs/dbraw/zinc/06/07/44/327060744.db2.gz JFTAGMWGRGRZKW-IJLUTSLNSA-N 2 2 273.377 -0.960 20 0 CBADLP O=C1C[N@H+](CCN2CC[NH2+]CC2)CCN1C1CC1 ZINC000565892911 327081132 /nfs/dbraw/zinc/08/11/32/327081132.db2.gz YBVXUZMERJZONK-UHFFFAOYSA-N 2 2 252.362 -0.802 20 0 CBADLP O=C1C[N@@H+](CCN2CC[NH2+]CC2)CCN1C1CC1 ZINC000565892911 327081134 /nfs/dbraw/zinc/08/11/34/327081134.db2.gz YBVXUZMERJZONK-UHFFFAOYSA-N 2 2 252.362 -0.802 20 0 CBADLP CSC[C@@H](O)C[NH2+]C1CC[NH+](CC(=O)N(C)C)CC1 ZINC000566115125 327139477 /nfs/dbraw/zinc/13/94/77/327139477.db2.gz BZKCPUMOIARYCN-LBPRGKRZSA-N 2 2 289.445 -0.148 20 0 CBADLP COC[C@@]1(C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)CC[NH2+]C1 ZINC000566179886 327157928 /nfs/dbraw/zinc/15/79/28/327157928.db2.gz VZNYNQQPVYFLRM-DZGCQCFKSA-N 2 2 298.431 -0.635 20 0 CBADLP COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@H](C)[C@H](C)[NH3+])C1 ZINC000569482180 327184217 /nfs/dbraw/zinc/18/42/17/327184217.db2.gz AQTHEPTUPLNVFB-GRYCIOLGSA-N 2 2 285.388 -0.029 20 0 CBADLP COC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@H](C)[C@H](C)[NH3+])C1 ZINC000569482180 327184218 /nfs/dbraw/zinc/18/42/18/327184218.db2.gz AQTHEPTUPLNVFB-GRYCIOLGSA-N 2 2 285.388 -0.029 20 0 CBADLP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)CN2CC[NH2+]CC2=O)C1 ZINC000569482596 327184280 /nfs/dbraw/zinc/18/42/80/327184280.db2.gz OHJMCRMPUWOWEN-GHMZBOCLSA-N 2 2 268.361 -0.996 20 0 CBADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC000569522778 327191394 /nfs/dbraw/zinc/19/13/94/327191394.db2.gz CVAHVRJZQGEXRG-VXGBXAGGSA-N 2 2 266.345 -0.203 20 0 CBADLP C[C@@H](O)C[N@H+]1CCN(C(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC000569522778 327191396 /nfs/dbraw/zinc/19/13/96/327191396.db2.gz CVAHVRJZQGEXRG-VXGBXAGGSA-N 2 2 266.345 -0.203 20 0 CBADLP NC(=O)NC(=O)CC[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000583435447 327361952 /nfs/dbraw/zinc/36/19/52/327361952.db2.gz DJLRXGQVVBYLME-UHFFFAOYSA-N 2 2 279.344 -0.064 20 0 CBADLP C[C@H](C(=O)NC[C@@H]1C[N@H+](C)CCN1C)[NH+]1CC(C)C1 ZINC000561223563 327377313 /nfs/dbraw/zinc/37/73/13/327377313.db2.gz AEEPCFQSIMXQSJ-CHWSQXEVSA-N 2 2 268.405 -0.311 20 0 CBADLP C[C@H](C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)[NH+]1CC(C)C1 ZINC000561223563 327377316 /nfs/dbraw/zinc/37/73/16/327377316.db2.gz AEEPCFQSIMXQSJ-CHWSQXEVSA-N 2 2 268.405 -0.311 20 0 CBADLP CN(CCC[NH+](C)C)C(=O)C(=O)NCc1[nH+]ccn1C ZINC000561299571 327383544 /nfs/dbraw/zinc/38/35/44/327383544.db2.gz NHEOCVROVHXRTH-UHFFFAOYSA-N 2 2 281.360 -0.554 20 0 CBADLP COC(=O)CC[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000565028219 327399311 /nfs/dbraw/zinc/39/93/11/327399311.db2.gz BLKLIFVTWWHEFZ-GHMZBOCLSA-N 2 2 287.360 -0.896 20 0 CBADLP COC(=O)CC[C@@H]([NH3+])C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000565028219 327399312 /nfs/dbraw/zinc/39/93/12/327399312.db2.gz BLKLIFVTWWHEFZ-GHMZBOCLSA-N 2 2 287.360 -0.896 20 0 CBADLP COC(=O)CC[C@H]([NH3+])C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000565028225 327399382 /nfs/dbraw/zinc/39/93/82/327399382.db2.gz BLKLIFVTWWHEFZ-MNOVXSKESA-N 2 2 287.360 -0.896 20 0 CBADLP COC(=O)CC[C@H]([NH3+])C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000565028225 327399384 /nfs/dbraw/zinc/39/93/84/327399384.db2.gz BLKLIFVTWWHEFZ-MNOVXSKESA-N 2 2 287.360 -0.896 20 0 CBADLP Cc1cccc2[nH+]c(CNC(=O)C(=O)NC3C[NH2+]C3)cn21 ZINC000562821407 327516752 /nfs/dbraw/zinc/51/67/52/327516752.db2.gz YRFGYSBZBWFPDC-UHFFFAOYSA-N 2 2 287.323 -0.653 20 0 CBADLP C[C@@H](CC(=O)NCC(=O)N1CC[NH2+]CC1)n1cc[nH+]c1 ZINC000570578081 327601359 /nfs/dbraw/zinc/60/13/59/327601359.db2.gz MKBVUVRAQXYWBI-NSHDSACASA-N 2 2 279.344 -0.618 20 0 CBADLP [NH3+]C1(C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)CCC1 ZINC000582358422 328969937 /nfs/dbraw/zinc/96/99/37/328969937.db2.gz WGPXZSZOEMEBLJ-UHFFFAOYSA-N 2 2 263.345 -0.065 20 0 CBADLP C[N@H+](C[C@@H](O)C[NH2+]CC1(S(C)(=O)=O)CC1)C1CC1 ZINC000393705257 329089068 /nfs/dbraw/zinc/08/90/68/329089068.db2.gz KEBXDFUIFJCMKR-NSHDSACASA-N 2 2 276.402 -0.392 20 0 CBADLP C[N@@H+](C[C@@H](O)C[NH2+]CC1(S(C)(=O)=O)CC1)C1CC1 ZINC000393705257 329089069 /nfs/dbraw/zinc/08/90/69/329089069.db2.gz KEBXDFUIFJCMKR-NSHDSACASA-N 2 2 276.402 -0.392 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)[C@@H]([NH3+])CC(F)F ZINC000582542844 329109270 /nfs/dbraw/zinc/10/92/70/329109270.db2.gz CSDQQIOJBWMYDT-VIFPVBQESA-N 2 2 265.304 -0.241 20 0 CBADLP C[NH+]1CCN(CCCNC(=O)CC(F)(F)C[NH3+])CC1 ZINC000582971905 329296452 /nfs/dbraw/zinc/29/64/52/329296452.db2.gz CIECNYMVJMTMPM-UHFFFAOYSA-N 2 2 278.347 -0.276 20 0 CBADLP CN1CC[NH+](CCCNC(=O)CC(F)(F)C[NH3+])CC1 ZINC000582971905 329296453 /nfs/dbraw/zinc/29/64/53/329296453.db2.gz CIECNYMVJMTMPM-UHFFFAOYSA-N 2 2 278.347 -0.276 20 0 CBADLP CCOCC[NH+]1CCN(C(=O)[C@@H]([NH3+])CC(=O)OC)CC1 ZINC000583021331 329298597 /nfs/dbraw/zinc/29/85/97/329298597.db2.gz DEVTXGXMFOITAT-NSHDSACASA-N 2 2 287.360 -0.943 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)CCOC1C[NH2+]C1 ZINC000583021940 329298808 /nfs/dbraw/zinc/29/88/08/329298808.db2.gz DMDKQHFNMCJUOL-UHFFFAOYSA-N 2 2 271.361 -0.845 20 0 CBADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000583086188 329312534 /nfs/dbraw/zinc/31/25/34/329312534.db2.gz DMQXDHUURBVAOP-BETUJISGSA-N 2 2 296.415 -0.264 20 0 CBADLP Cn1cnnc1C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000583204548 329364218 /nfs/dbraw/zinc/36/42/18/329364218.db2.gz YEBQVDGMWYELKN-GFCCVEGCSA-N 2 2 292.387 -0.541 20 0 CBADLP Cn1cnnc1C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000583204548 329364219 /nfs/dbraw/zinc/36/42/19/329364219.db2.gz YEBQVDGMWYELKN-GFCCVEGCSA-N 2 2 292.387 -0.541 20 0 CBADLP C[NH+]1CCN(C(=O)CC[NH+]2CCC([NH3+])CC2)CC1 ZINC000572364836 330005191 /nfs/dbraw/zinc/00/51/91/330005191.db2.gz YGRGYOWXZQDUOZ-UHFFFAOYSA-N 3 2 254.378 -0.426 20 0 CBADLP CCCN1CCC[N@H+](C[C@@](C)(O)C[NH2+]C)CC1=O ZINC000572370292 330009993 /nfs/dbraw/zinc/00/99/93/330009993.db2.gz KWXRUOHABAOQIO-ZDUSSCGKSA-N 2 2 257.378 -0.099 20 0 CBADLP CCCN1CCC[N@@H+](C[C@@](C)(O)C[NH2+]C)CC1=O ZINC000572370292 330009994 /nfs/dbraw/zinc/00/99/94/330009994.db2.gz KWXRUOHABAOQIO-ZDUSSCGKSA-N 2 2 257.378 -0.099 20 0 CBADLP Cc1cnn(CCC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c1 ZINC000162382039 330012171 /nfs/dbraw/zinc/01/21/71/330012171.db2.gz DAUZBNBJVVODHK-GFCCVEGCSA-N 2 2 265.361 -0.317 20 0 CBADLP Cc1cnn(CCC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c1 ZINC000162382039 330012173 /nfs/dbraw/zinc/01/21/73/330012173.db2.gz DAUZBNBJVVODHK-GFCCVEGCSA-N 2 2 265.361 -0.317 20 0 CBADLP COC(=O)N(C)CCCC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000162430877 330029159 /nfs/dbraw/zinc/02/91/59/330029159.db2.gz JLUCFYYYARZQRC-LLVKDONJSA-N 2 2 286.376 -0.434 20 0 CBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C[NH2+]C2CC2)C[C@H]1C ZINC000572406184 330064165 /nfs/dbraw/zinc/06/41/65/330064165.db2.gz JKRGXCSCLSUOQE-LLVKDONJSA-N 2 2 283.372 -0.166 20 0 CBADLP COC(=O)CC[N@H+]1CCN(C(=O)C[NH2+]C2CC2)C[C@H]1C ZINC000572406184 330064166 /nfs/dbraw/zinc/06/41/66/330064166.db2.gz JKRGXCSCLSUOQE-LLVKDONJSA-N 2 2 283.372 -0.166 20 0 CBADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H]2CC[C@@H]2C(N)=O)CC1 ZINC000575328103 335094495 /nfs/dbraw/zinc/09/44/95/335094495.db2.gz KVMHXQMNFRXPKT-QWHCGFSZSA-N 2 2 296.415 -0.360 20 0 CBADLP CCn1cc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cn1 ZINC000575430963 335103493 /nfs/dbraw/zinc/10/34/93/335103493.db2.gz QABJKZDRFIDMPT-RYUDHWBXSA-N 2 2 263.345 -0.353 20 0 CBADLP CCn1cc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cn1 ZINC000575430963 335103495 /nfs/dbraw/zinc/10/34/95/335103495.db2.gz QABJKZDRFIDMPT-RYUDHWBXSA-N 2 2 263.345 -0.353 20 0 CBADLP COC(=O)CN(CC[NH+]1CCOCC1)C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000566250032 334638843 /nfs/dbraw/zinc/63/88/43/334638843.db2.gz BXGPPQCKWJPLIQ-TXEJJXNPSA-N 2 2 299.371 -0.943 20 0 CBADLP Cn1cc(C[NH2+]C[C@H]2[NH2+]CCCC2(C)C)c(=O)n(C)c1=O ZINC000575970375 335136229 /nfs/dbraw/zinc/13/62/29/335136229.db2.gz KWEAKEQKFXOGGI-GFCCVEGCSA-N 2 2 294.399 -0.048 20 0 CBADLP COC[C@H](C)OC[C@@H](O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000575999706 335140398 /nfs/dbraw/zinc/14/03/98/335140398.db2.gz KZBAIPGWIQPCHQ-STQMWFEESA-N 2 2 298.387 -0.056 20 0 CBADLP Cn1cc[nH+]c1CN1CCN(C(=O)C2([NH3+])CCC2)CC1 ZINC000576104544 335154715 /nfs/dbraw/zinc/15/47/15/335154715.db2.gz PDBBJJWFJZQTDU-UHFFFAOYSA-N 2 2 277.372 -0.054 20 0 CBADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]Cc2cnn(C)c2)C[C@H](C)O1 ZINC000553458417 334386405 /nfs/dbraw/zinc/38/64/05/334386405.db2.gz ZSAONVHPQRPNSM-MBNYWOFBSA-N 2 2 282.388 -0.020 20 0 CBADLP C[C@H](NC(=O)C[NH+]1CC(C)(C)C1)C(=O)NCC[NH+](C)C ZINC000565205546 334544866 /nfs/dbraw/zinc/54/48/66/334544866.db2.gz PIBUQZCQONJGPG-NSHDSACASA-N 2 2 284.404 -0.489 20 0 CBADLP C[C@H](CC(=O)N(C)CC(=O)N1CC[NH2+]CC1)n1cc[nH+]c1 ZINC000565311838 334551564 /nfs/dbraw/zinc/55/15/64/334551564.db2.gz MKJHMPIZGVDCDZ-GFCCVEGCSA-N 2 2 293.371 -0.276 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)C[C@H]1C[NH2+]CCO1 ZINC000565418885 334561429 /nfs/dbraw/zinc/56/14/29/334561429.db2.gz JOGSUFMNZZFCEO-LBPRGKRZSA-N 2 2 271.361 -0.845 20 0 CBADLP C[NH2+]C[C@@](C)(O)CN1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000566351750 334644138 /nfs/dbraw/zinc/64/41/38/334644138.db2.gz ABMDDOUURMIYON-CYBMUJFWSA-N 2 2 267.377 -0.502 20 0 CBADLP Cn1ccc(C[NH2+][C@@H]2CC(=O)N(CCC[NH+](C)C)C2=O)n1 ZINC000566413890 334646872 /nfs/dbraw/zinc/64/68/72/334646872.db2.gz WBYWAJPUXKZTMU-GFCCVEGCSA-N 2 2 293.371 -0.411 20 0 CBADLP c1c[nH+]c(CN2CC[NH+](CCN3CC[NH2+]CC3)CC2)[nH]1 ZINC000566564833 334655597 /nfs/dbraw/zinc/65/55/97/334655597.db2.gz XCSVINWTVXTUPK-UHFFFAOYSA-N 3 2 278.404 -0.568 20 0 CBADLP CCS(=O)(=O)NCCC[NH+]1CCC([NH2+]C)CC1 ZINC000567893008 334772602 /nfs/dbraw/zinc/77/26/02/334772602.db2.gz CHECBNULENZJMF-UHFFFAOYSA-N 2 2 263.407 0.000 20 0 CBADLP Cc1nc(N2CCN(C(=O)[C@@H]3C[C@@H]3[NH3+])CC2)cc[nH+]1 ZINC000572749843 334875462 /nfs/dbraw/zinc/87/54/62/334875462.db2.gz DXJPSFHOWNMJMM-MNOVXSKESA-N 2 2 261.329 -0.219 20 0 CBADLP Cc1[nH+]cc(C[NH2+]CCN2CCCS2(=O)=O)n1C ZINC000572986584 334898348 /nfs/dbraw/zinc/89/83/48/334898348.db2.gz MDFSPEOYWULHBK-UHFFFAOYSA-N 2 2 272.374 -0.146 20 0 CBADLP C1C[C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@@H]([C@@H]2COCC[NH2+]2)C1 ZINC000576399516 335198918 /nfs/dbraw/zinc/19/89/18/335198918.db2.gz MUEVPHQCOWDXRZ-KYTCRMMBSA-N 3 2 251.374 -0.049 20 0 CBADLP CC[N@H+](C)C[C@@H](O)CN1CCN(Cc2[nH+]ccn2C)CC1 ZINC000576527276 335215485 /nfs/dbraw/zinc/21/54/85/335215485.db2.gz VFSVDPFVKNSIPR-CQSZACIVSA-N 2 2 295.431 -0.150 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)CN1CCN(Cc2[nH+]ccn2C)CC1 ZINC000576527276 335215486 /nfs/dbraw/zinc/21/54/86/335215486.db2.gz VFSVDPFVKNSIPR-CQSZACIVSA-N 2 2 295.431 -0.150 20 0 CBADLP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000576529779 335216136 /nfs/dbraw/zinc/21/61/36/335216136.db2.gz OWOPBWGTRHGWND-NSHDSACASA-N 2 2 293.371 -0.079 20 0 CBADLP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000576529779 335216137 /nfs/dbraw/zinc/21/61/37/335216137.db2.gz OWOPBWGTRHGWND-NSHDSACASA-N 2 2 293.371 -0.079 20 0 CBADLP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000576529779 335216139 /nfs/dbraw/zinc/21/61/39/335216139.db2.gz OWOPBWGTRHGWND-NSHDSACASA-N 2 2 293.371 -0.079 20 0 CBADLP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000576529779 335216140 /nfs/dbraw/zinc/21/61/40/335216140.db2.gz OWOPBWGTRHGWND-NSHDSACASA-N 2 2 293.371 -0.079 20 0 CBADLP Cc1csc(=O)n1CCC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000576941426 335267067 /nfs/dbraw/zinc/26/70/67/335267067.db2.gz GGKDXWUGIJPDJR-NSHDSACASA-N 2 2 298.412 -0.290 20 0 CBADLP Cc1csc(=O)n1CCC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000576941426 335267068 /nfs/dbraw/zinc/26/70/68/335267068.db2.gz GGKDXWUGIJPDJR-NSHDSACASA-N 2 2 298.412 -0.290 20 0 CBADLP C[C@H](CC(=O)NC[C@@H]1C[NH+]2CCN1CC2)n1cc[nH+]c1 ZINC000576947447 335268118 /nfs/dbraw/zinc/26/81/18/335268118.db2.gz RCOCLHYECZWSCG-CHWSQXEVSA-N 2 2 277.372 -0.050 20 0 CBADLP CO[C@@H]1C[NH2+][C@@H](C(=O)NCC[N@@H+]2CCOC[C@H]2C)C1 ZINC000580559612 335281070 /nfs/dbraw/zinc/28/10/70/335281070.db2.gz RNYAEEUNVPAALJ-GRYCIOLGSA-N 2 2 271.361 -0.800 20 0 CBADLP CO[C@@H]1C[NH2+][C@@H](C(=O)NCC[N@H+]2CCOC[C@H]2C)C1 ZINC000580559612 335281071 /nfs/dbraw/zinc/28/10/71/335281071.db2.gz RNYAEEUNVPAALJ-GRYCIOLGSA-N 2 2 271.361 -0.800 20 0 CBADLP [NH3+]CCN1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000580564897 335287231 /nfs/dbraw/zinc/28/72/31/335287231.db2.gz MZXBVBJNMWXDSA-UHFFFAOYSA-N 2 2 292.387 -0.606 20 0 CBADLP COC(=O)c1ccc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)[nH]1 ZINC000580658644 335314665 /nfs/dbraw/zinc/31/46/65/335314665.db2.gz IJDLRALMEAONSK-MNOVXSKESA-N 2 2 292.339 -0.455 20 0 CBADLP COC(=O)c1ccc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)[nH]1 ZINC000580658644 335314667 /nfs/dbraw/zinc/31/46/67/335314667.db2.gz IJDLRALMEAONSK-MNOVXSKESA-N 2 2 292.339 -0.455 20 0 CBADLP C[N@@H+]1CCN(C(=O)C[C@H]2CSCC[NH2+]2)[C@@H](C[NH3+])C1 ZINC000577371418 335342082 /nfs/dbraw/zinc/34/20/82/335342082.db2.gz BAJSVWQMNDXRLF-QWRGUYRKSA-N 3 2 272.418 -0.817 20 0 CBADLP C[N@H+]1CCN(C(=O)C[C@H]2CSCC[NH2+]2)[C@@H](C[NH3+])C1 ZINC000577371418 335342084 /nfs/dbraw/zinc/34/20/84/335342084.db2.gz BAJSVWQMNDXRLF-QWRGUYRKSA-N 3 2 272.418 -0.817 20 0 CBADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CCn2cncn2)C[C@H](C)O1 ZINC000577384771 335346018 /nfs/dbraw/zinc/34/60/18/335346018.db2.gz ACKDVFTVOKHLMB-FRRDWIJNSA-N 2 2 283.376 -0.662 20 0 CBADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CCn2cncn2)C[C@H](C)O1 ZINC000577384771 335346020 /nfs/dbraw/zinc/34/60/20/335346020.db2.gz ACKDVFTVOKHLMB-FRRDWIJNSA-N 2 2 283.376 -0.662 20 0 CBADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CCn2cncn2)C[C@H](C)O1 ZINC000577384776 335346110 /nfs/dbraw/zinc/34/61/10/335346110.db2.gz ACKDVFTVOKHLMB-XQQFMLRXSA-N 2 2 283.376 -0.662 20 0 CBADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CCn2cncn2)C[C@H](C)O1 ZINC000577384776 335346112 /nfs/dbraw/zinc/34/61/12/335346112.db2.gz ACKDVFTVOKHLMB-XQQFMLRXSA-N 2 2 283.376 -0.662 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000577395570 335347960 /nfs/dbraw/zinc/34/79/60/335347960.db2.gz RBUURNWRFGJFGT-CHWSQXEVSA-N 2 2 298.431 -0.114 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000577395570 335347961 /nfs/dbraw/zinc/34/79/61/335347961.db2.gz RBUURNWRFGJFGT-CHWSQXEVSA-N 2 2 298.431 -0.114 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000577482277 335356929 /nfs/dbraw/zinc/35/69/29/335356929.db2.gz NLBJEROLQKBTAW-HNNXBMFYSA-N 2 2 294.399 -0.638 20 0 CBADLP C[C@H](C(=O)NCC[C@H]1CCC[NH2+]1)[NH+]1CCN(C)CC1 ZINC000577514531 335363377 /nfs/dbraw/zinc/36/33/77/335363377.db2.gz IEGIACNHCSDYEK-CHWSQXEVSA-N 2 2 268.405 -0.119 20 0 CBADLP Cn1[nH]c(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)nc1=O ZINC000577731024 335393667 /nfs/dbraw/zinc/39/36/67/335393667.db2.gz TYZWTIFJTIRWBC-LPEHRKFASA-N 2 2 251.334 -0.332 20 0 CBADLP Cn1[nH]c(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)nc1=O ZINC000577731024 335393668 /nfs/dbraw/zinc/39/36/68/335393668.db2.gz TYZWTIFJTIRWBC-LPEHRKFASA-N 2 2 251.334 -0.332 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)C2CC[NH2+]CC2)CCO1 ZINC000577734296 335394178 /nfs/dbraw/zinc/39/41/78/335394178.db2.gz ZIVIFHKXRZEVGL-NSHDSACASA-N 2 2 255.362 -0.177 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)C2CC[NH2+]CC2)CCO1 ZINC000577734296 335394180 /nfs/dbraw/zinc/39/41/80/335394180.db2.gz ZIVIFHKXRZEVGL-NSHDSACASA-N 2 2 255.362 -0.177 20 0 CBADLP C[C@@H](CC(=O)N1CCN(C)C[C@@H]1C[NH3+])n1cc[nH+]c1 ZINC000577882622 335416850 /nfs/dbraw/zinc/41/68/50/335416850.db2.gz ZCNNSIIKMYRHLY-RYUDHWBXSA-N 2 2 265.361 -0.065 20 0 CBADLP C[NH2+]C[C@@H](C)C(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000577950457 335435787 /nfs/dbraw/zinc/43/57/87/335435787.db2.gz JEBMJSBWXVZMQL-GFCCVEGCSA-N 2 2 279.388 -0.080 20 0 CBADLP O=C(CCn1cc[nH+]c1)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000578679494 335662987 /nfs/dbraw/zinc/66/29/87/335662987.db2.gz FUWFBVOPYBRLDW-AWEZNQCLSA-N 2 2 278.356 -0.154 20 0 CBADLP CNS(=O)(=O)CCC[NH+]1CCC([NH2+]CCOC)CC1 ZINC000579248040 335727593 /nfs/dbraw/zinc/72/75/93/335727593.db2.gz MCQHPWLPCVTNJU-UHFFFAOYSA-N 2 2 293.433 -0.374 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000581006053 335995050 /nfs/dbraw/zinc/99/50/50/335995050.db2.gz VHHCQOHAEOGMCW-AVGNSLFASA-N 2 2 294.399 -0.654 20 0 CBADLP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN2CC[NH2+]CC2=O)C1 ZINC000581132442 336013147 /nfs/dbraw/zinc/01/31/47/336013147.db2.gz RVCSUUBGXWCTFI-OLZOCXBDSA-N 2 2 294.399 -0.639 20 0 CBADLP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN2CC[NH2+]CC2=O)C1 ZINC000581132442 336013149 /nfs/dbraw/zinc/01/31/49/336013149.db2.gz RVCSUUBGXWCTFI-OLZOCXBDSA-N 2 2 294.399 -0.639 20 0 CBADLP C[C@@H]1CCCN(C(=O)C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C1 ZINC000581142632 336015438 /nfs/dbraw/zinc/01/54/38/336015438.db2.gz PNXSJTHAHQNTQD-JHJVBQTASA-N 2 2 294.399 -0.511 20 0 CBADLP C[C@@H]1CCCN(C(=O)C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C1 ZINC000581142632 336015439 /nfs/dbraw/zinc/01/54/39/336015439.db2.gz PNXSJTHAHQNTQD-JHJVBQTASA-N 2 2 294.399 -0.511 20 0 CBADLP CC(C)[NH2+]CCC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000581249381 336031867 /nfs/dbraw/zinc/03/18/67/336031867.db2.gz ZJMOUMIUZQKBQY-UHFFFAOYSA-N 2 2 284.404 -0.217 20 0 CBADLP C[N@@H+]1CCN(C(=O)NC[C@H]([NH3+])c2ccccc2)[C@@H](C[NH3+])C1 ZINC000581300011 336041491 /nfs/dbraw/zinc/04/14/91/336041491.db2.gz FBEQERHLQFBRKD-KBPBESRZSA-N 3 2 291.399 -0.029 20 0 CBADLP C[N@H+]1CCN(C(=O)NC[C@H]([NH3+])c2ccccc2)[C@@H](C[NH3+])C1 ZINC000581300011 336041493 /nfs/dbraw/zinc/04/14/93/336041493.db2.gz FBEQERHLQFBRKD-KBPBESRZSA-N 3 2 291.399 -0.029 20 0 CBADLP CCN1CC[NH+]([C@@H]2CCN(C(=O)N[C@H]3CC[NH2+]C3)C2)CC1 ZINC000581322458 336049216 /nfs/dbraw/zinc/04/92/16/336049216.db2.gz ZLJRZGFVRMQBCF-UONOGXRCSA-N 2 2 295.431 -0.230 20 0 CBADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](C[C@H]3CCC[NH2+]C3)CCN2C1=O ZINC000581499887 336090859 /nfs/dbraw/zinc/09/08/59/336090859.db2.gz VWJWBZFHNZQZFX-QJPTWQEYSA-N 3 2 252.362 -0.770 20 0 CBADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](C[C@H]3CCC[NH2+]C3)CCN2C1=O ZINC000581499887 336090860 /nfs/dbraw/zinc/09/08/60/336090860.db2.gz VWJWBZFHNZQZFX-QJPTWQEYSA-N 3 2 252.362 -0.770 20 0 CBADLP C[C@@H]([N@H+](C)CC(=O)N1CC[NH+](C)CC1)C(C)(C)O ZINC000383000470 336101180 /nfs/dbraw/zinc/10/11/80/336101180.db2.gz ZJUBOTVZUPJCJJ-LLVKDONJSA-N 2 2 257.378 -0.148 20 0 CBADLP C[C@@H]([N@@H+](C)CC(=O)N1CC[NH+](C)CC1)C(C)(C)O ZINC000383000470 336101182 /nfs/dbraw/zinc/10/11/82/336101182.db2.gz ZJUBOTVZUPJCJJ-LLVKDONJSA-N 2 2 257.378 -0.148 20 0 CBADLP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@H]2CCCc3c[nH]nc32)CC1 ZINC000581603530 336110456 /nfs/dbraw/zinc/11/04/56/336110456.db2.gz ZTTDOWCIDAXLON-KBPBESRZSA-N 2 2 293.415 -0.015 20 0 CBADLP Cc1sc(=O)n(CC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c1C ZINC000581606674 336111142 /nfs/dbraw/zinc/11/11/42/336111142.db2.gz ZHJLTORTIUUTIP-NSHDSACASA-N 2 2 298.412 -0.372 20 0 CBADLP Cc1sc(=O)n(CC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c1C ZINC000581606674 336111144 /nfs/dbraw/zinc/11/11/44/336111144.db2.gz ZHJLTORTIUUTIP-NSHDSACASA-N 2 2 298.412 -0.372 20 0 CBADLP CC(=O)N1CCN(C(=O)C[N@@H+](C)C2CC([NH3+])C2)CC1 ZINC000384931694 336134442 /nfs/dbraw/zinc/13/44/42/336134442.db2.gz DAFBBFHTLKYXRC-UHFFFAOYSA-N 2 2 268.361 -0.901 20 0 CBADLP CC(=O)N1CCN(C(=O)C[N@H+](C)C2CC([NH3+])C2)CC1 ZINC000384931694 336134443 /nfs/dbraw/zinc/13/44/43/336134443.db2.gz DAFBBFHTLKYXRC-UHFFFAOYSA-N 2 2 268.361 -0.901 20 0 CBADLP CCCC[C@@H](C[NH3+])NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000581716182 336135987 /nfs/dbraw/zinc/13/59/87/336135987.db2.gz QLPIIHATHHECPK-NWDGAFQWSA-N 3 2 271.409 -0.212 20 0 CBADLP O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)N[C@H]1CC[NH2+]C1 ZINC000581737921 336140750 /nfs/dbraw/zinc/14/07/50/336140750.db2.gz WNWJTFHFUQYTSU-SDDRHHMPSA-N 2 2 268.361 -0.489 20 0 CBADLP O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)N[C@H]1CC[NH2+]C1 ZINC000581737921 336140752 /nfs/dbraw/zinc/14/07/52/336140752.db2.gz WNWJTFHFUQYTSU-SDDRHHMPSA-N 2 2 268.361 -0.489 20 0 CBADLP C[C@H]1[C@H](CO)CC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000385645449 336153255 /nfs/dbraw/zinc/15/32/55/336153255.db2.gz DMRDTQDBMNNHQL-RYUDHWBXSA-N 2 2 255.362 -0.537 20 0 CBADLP C[C@H]1[C@H](CO)CC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000385645449 336153257 /nfs/dbraw/zinc/15/32/57/336153257.db2.gz DMRDTQDBMNNHQL-RYUDHWBXSA-N 2 2 255.362 -0.537 20 0 CBADLP CC[C@H]1[C@@H](CO)CC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000385888296 336159493 /nfs/dbraw/zinc/15/94/93/336159493.db2.gz CQSCDIVKDDVJNE-OLZOCXBDSA-N 2 2 269.389 -0.147 20 0 CBADLP CC[C@H]1[C@@H](CO)CC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000385888296 336159494 /nfs/dbraw/zinc/15/94/94/336159494.db2.gz CQSCDIVKDDVJNE-OLZOCXBDSA-N 2 2 269.389 -0.147 20 0 CBADLP CN(C)c1[nH+]cccc1CNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000581955404 336179103 /nfs/dbraw/zinc/17/91/03/336179103.db2.gz HJDAKEFLYRNERS-NSHDSACASA-N 2 2 291.355 -0.758 20 0 CBADLP COCCCNC(=O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000386852209 336180748 /nfs/dbraw/zinc/18/07/48/336180748.db2.gz SWKXUASDBYYJQQ-RYUDHWBXSA-N 2 2 255.362 -0.177 20 0 CBADLP COCCCNC(=O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000386852209 336180750 /nfs/dbraw/zinc/18/07/50/336180750.db2.gz SWKXUASDBYYJQQ-RYUDHWBXSA-N 2 2 255.362 -0.177 20 0 CBADLP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000342706045 534117827 /nfs/dbraw/zinc/11/78/27/534117827.db2.gz LLNLFEYSMMEJTP-NWDGAFQWSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000163941158 524627130 /nfs/dbraw/zinc/62/71/30/524627130.db2.gz IGSMOMGNNRPPQC-QWRGUYRKSA-N 2 2 255.362 -0.321 20 0 CBADLP C[C@H]([NH3+])C(=O)N1CCC[C@@H]1C(=O)N1CC[NH+](C)CC1 ZINC000157340310 524818136 /nfs/dbraw/zinc/81/81/36/524818136.db2.gz FOQYSBNQABKDAR-WDEREUQCSA-N 2 2 268.361 -0.901 20 0 CBADLP C[C@H]([NH3+])C(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000164027414 524819497 /nfs/dbraw/zinc/81/94/97/524819497.db2.gz OWBKMYQXJGQJRI-UWVGGRQHSA-N 2 2 268.361 -0.855 20 0 CBADLP CC[N@@H+]1CCOC[C@@H]1C(=O)NCCC[NH+](C)CCOC ZINC000378445042 527718801 /nfs/dbraw/zinc/71/88/01/527718801.db2.gz RIZSOJYGQHQSTA-CYBMUJFWSA-N 2 2 287.404 -0.208 20 0 CBADLP CC[N@H+]1CCOC[C@@H]1C(=O)NCCC[NH+](C)CCOC ZINC000378445042 527718805 /nfs/dbraw/zinc/71/88/05/527718805.db2.gz RIZSOJYGQHQSTA-CYBMUJFWSA-N 2 2 287.404 -0.208 20 0 CBADLP CC[NH+]1CCOC[C@@H]1C(=O)NCCC[N@H+](C)CCOC ZINC000378445042 527718809 /nfs/dbraw/zinc/71/88/09/527718809.db2.gz RIZSOJYGQHQSTA-CYBMUJFWSA-N 2 2 287.404 -0.208 20 0 CBADLP CC[NH+]1CCOC[C@@H]1C(=O)NCCC[N@@H+](C)CCOC ZINC000378445042 527718813 /nfs/dbraw/zinc/71/88/13/527718813.db2.gz RIZSOJYGQHQSTA-CYBMUJFWSA-N 2 2 287.404 -0.208 20 0 CBADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](CCO)[C@@H](C)C2)C1 ZINC000356530514 535217503 /nfs/dbraw/zinc/21/75/03/535217503.db2.gz PZQITRQQUMBJDU-KBPBESRZSA-N 2 2 299.415 -0.379 20 0 CBADLP CC(C)[N@H+]1CCO[C@H](C(=O)N2CC[NH+](CCO)[C@@H](C)C2)C1 ZINC000356530514 535217508 /nfs/dbraw/zinc/21/75/08/535217508.db2.gz PZQITRQQUMBJDU-KBPBESRZSA-N 2 2 299.415 -0.379 20 0 CBADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CC[C@H](O)C3)cn2)CC1 ZINC000271108790 536426863 /nfs/dbraw/zinc/42/68/63/536426863.db2.gz STYTZRROXLWHOW-ZDUSSCGKSA-N 2 2 277.372 -0.205 20 0 CBADLP C[NH+]1CCN(c2ncc(C[N@H+]3CC[C@H](O)C3)cn2)CC1 ZINC000271108790 536426864 /nfs/dbraw/zinc/42/68/64/536426864.db2.gz STYTZRROXLWHOW-ZDUSSCGKSA-N 2 2 277.372 -0.205 20 0 CBADLP C[C@H]1CN(C(=O)C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCO1 ZINC000107576840 582113887 /nfs/dbraw/zinc/11/38/87/582113887.db2.gz BVJZFDKXFYMKOM-SDDRHHMPSA-N 2 2 253.346 -0.615 20 0 CBADLP C[C@H]1CN(C(=O)C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCO1 ZINC000107576840 582113888 /nfs/dbraw/zinc/11/38/88/582113888.db2.gz BVJZFDKXFYMKOM-SDDRHHMPSA-N 2 2 253.346 -0.615 20 0 CBADLP O=C1C[NH+](C/C=C\C[N@@H+]2CCCNC(=O)C2)CCCN1 ZINC000726790503 582138123 /nfs/dbraw/zinc/13/81/23/582138123.db2.gz DEZLWLBEFIWKPX-UPHRSURJSA-N 2 2 280.372 -0.814 20 0 CBADLP O=C1C[NH+](C/C=C\C[N@H+]2CCCNC(=O)C2)CCCN1 ZINC000726790503 582138124 /nfs/dbraw/zinc/13/81/24/582138124.db2.gz DEZLWLBEFIWKPX-UPHRSURJSA-N 2 2 280.372 -0.814 20 0 CBADLP CN(CC[NH+]1CCOCC1)C[C@H](O)C[NH+]1CCCC1 ZINC000732872533 582161258 /nfs/dbraw/zinc/16/12/58/582161258.db2.gz YQMDDKKLPZNHMH-AWEZNQCLSA-N 2 2 271.405 -0.293 20 0 CBADLP C[N@H+](CCN1CCOCC1)C[C@H](O)C[NH+]1CCCC1 ZINC000732872533 582161260 /nfs/dbraw/zinc/16/12/60/582161260.db2.gz YQMDDKKLPZNHMH-AWEZNQCLSA-N 2 2 271.405 -0.293 20 0 CBADLP C[N@@H+](CCN1CCOCC1)C[C@H](O)C[NH+]1CCCC1 ZINC000732872533 582161261 /nfs/dbraw/zinc/16/12/61/582161261.db2.gz YQMDDKKLPZNHMH-AWEZNQCLSA-N 2 2 271.405 -0.293 20 0 CBADLP CN1CC[C@H]([N@H+](C)C[C@H](O)C[NH+]2CCCC2)C1=O ZINC000738883104 582262844 /nfs/dbraw/zinc/26/28/44/582262844.db2.gz YEHBGQMHNXCXLR-RYUDHWBXSA-N 2 2 255.362 -0.394 20 0 CBADLP CN1CC[C@H]([N@@H+](C)C[C@H](O)C[NH+]2CCCC2)C1=O ZINC000738883104 582262845 /nfs/dbraw/zinc/26/28/45/582262845.db2.gz YEHBGQMHNXCXLR-RYUDHWBXSA-N 2 2 255.362 -0.394 20 0 CBADLP O=C(CC[NH+]1CCOCC1)NCCc1[nH]cc[nH+]1 ZINC000746242684 582284114 /nfs/dbraw/zinc/28/41/14/582284114.db2.gz KEGUVQRJVLCBMV-UHFFFAOYSA-N 2 2 252.318 -0.209 20 0 CBADLP Cn1cc[nH+]c1N1CC[NH+](CCN2CCOC2=O)CC1 ZINC000746449060 582284707 /nfs/dbraw/zinc/28/47/07/582284707.db2.gz COIGXAFRVKGZHJ-UHFFFAOYSA-N 2 2 279.344 -0.006 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)N(C)CC[NH+](C)C)CCO1 ZINC000747585180 582286507 /nfs/dbraw/zinc/28/65/07/582286507.db2.gz PRUPAWVWOCPUGR-LBPRGKRZSA-N 2 2 272.393 -0.090 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)N(C)CC[NH+](C)C)CCO1 ZINC000747585180 582286508 /nfs/dbraw/zinc/28/65/08/582286508.db2.gz PRUPAWVWOCPUGR-LBPRGKRZSA-N 2 2 272.393 -0.090 20 0 CBADLP C[C@@H]1CN(C(=O)CN2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000748351529 582287734 /nfs/dbraw/zinc/28/77/34/582287734.db2.gz WSISXHQLIOBGJE-GFCCVEGCSA-N 2 2 254.378 -0.604 20 0 CBADLP C[C@@H]1CN(C(=O)CN2CC[NH+](C)CC2)CC[N@H+]1C ZINC000748351529 582287735 /nfs/dbraw/zinc/28/77/35/582287735.db2.gz WSISXHQLIOBGJE-GFCCVEGCSA-N 2 2 254.378 -0.604 20 0 CBADLP C[NH+](C)CC(=O)N1CC[NH+](CCCN2CCOC2=O)CC1 ZINC000749332091 582289451 /nfs/dbraw/zinc/28/94/51/582289451.db2.gz WVIDMJCSRDVPCJ-UHFFFAOYSA-N 2 2 298.387 -0.466 20 0 CBADLP NC(=O)C1([NH2+]C[C@@H](O)C[NH+]2CCCC2)CCCC1 ZINC000749352770 582289508 /nfs/dbraw/zinc/28/95/08/582289508.db2.gz QGBYCNAKQBEKGL-LLVKDONJSA-N 2 2 255.362 -0.169 20 0 CBADLP O=C(CC[NH+]1CCOCC1)NCCCC[NH+]1CCOCC1 ZINC000750855311 582292097 /nfs/dbraw/zinc/29/20/97/582292097.db2.gz SOCZNFBXMJIJIN-UHFFFAOYSA-N 2 2 299.415 -0.063 20 0 CBADLP CC(C)(C(N)=O)[NH+]1CCN(C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000750985431 582292334 /nfs/dbraw/zinc/29/23/34/582292334.db2.gz ZMKZQGLOTVGTJQ-CYBMUJFWSA-N 2 2 298.431 -0.675 20 0 CBADLP S=C(NCC[NH+]1CCC1)NCC[NH+]1CCOCC1 ZINC000752771253 582295724 /nfs/dbraw/zinc/29/57/24/582295724.db2.gz XYGXNZRJUOJLOM-UHFFFAOYSA-N 2 2 272.418 -0.512 20 0 CBADLP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)C[NH+]1CCCC1 ZINC000753883559 582297943 /nfs/dbraw/zinc/29/79/43/582297943.db2.gz FKIXAJXMYAPJSH-UHFFFAOYSA-N 2 2 282.388 -0.685 20 0 CBADLP O=C(NC1=[NH+]CCS1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000763275433 582319986 /nfs/dbraw/zinc/31/99/86/582319986.db2.gz IGBBKXOPTAMZMF-VIFPVBQESA-N 2 2 254.359 -0.405 20 0 CBADLP O=C(NC1=[NH+]CCS1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000763275433 582319987 /nfs/dbraw/zinc/31/99/87/582319987.db2.gz IGBBKXOPTAMZMF-VIFPVBQESA-N 2 2 254.359 -0.405 20 0 CBADLP CC[NH+](CC(=O)NC)[C@H](C)CC[N@@H+](CC)CC(=O)NC ZINC000764203387 582322495 /nfs/dbraw/zinc/32/24/95/582322495.db2.gz YFXSOTSCLIUAOG-GFCCVEGCSA-N 2 2 286.420 -0.099 20 0 CBADLP CC[NH+](CC(=O)NC)[C@H](C)CC[N@H+](CC)CC(=O)NC ZINC000764203387 582322496 /nfs/dbraw/zinc/32/24/96/582322496.db2.gz YFXSOTSCLIUAOG-GFCCVEGCSA-N 2 2 286.420 -0.099 20 0 CBADLP CC[NH+](CC[C@@H](C)[N@H+](CC)CC(=O)NC)CC(=O)NC ZINC000764203387 582322497 /nfs/dbraw/zinc/32/24/97/582322497.db2.gz YFXSOTSCLIUAOG-GFCCVEGCSA-N 2 2 286.420 -0.099 20 0 CBADLP CC[NH+](CC[C@@H](C)[N@@H+](CC)CC(=O)NC)CC(=O)NC ZINC000764203387 582322498 /nfs/dbraw/zinc/32/24/98/582322498.db2.gz YFXSOTSCLIUAOG-GFCCVEGCSA-N 2 2 286.420 -0.099 20 0 CBADLP Cc1cc(N2CC[NH+](CC[S@](C)=O)CC2)nc(N)[nH+]1 ZINC000771147186 582340580 /nfs/dbraw/zinc/34/05/80/582340580.db2.gz PBDLENOMIAWDCD-IBGZPJMESA-N 2 2 283.401 -0.132 20 0 CBADLP Cn1c[nH+]cc1CCNC(=O)CC[NH+]1CCOCC1 ZINC000773828494 582348520 /nfs/dbraw/zinc/34/85/20/582348520.db2.gz CMHUHVLTDBHNPX-UHFFFAOYSA-N 2 2 266.345 -0.199 20 0 CBADLP CN(C)C(=O)NCC[N@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000777716394 582357470 /nfs/dbraw/zinc/35/74/70/582357470.db2.gz LPVXELCAYBRXNZ-LBPRGKRZSA-N 2 2 272.393 -0.354 20 0 CBADLP CN(C)C(=O)NCC[N@@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000777716394 582357471 /nfs/dbraw/zinc/35/74/71/582357471.db2.gz LPVXELCAYBRXNZ-LBPRGKRZSA-N 2 2 272.393 -0.354 20 0 CBADLP Cn1cc([C@@H](CO)[NH2+]C[C@H](O)C[NH+]2CCCC2)cn1 ZINC000778135237 582358101 /nfs/dbraw/zinc/35/81/01/582358101.db2.gz CEDXVWUJGQWCQR-QWHCGFSZSA-N 2 2 268.361 -0.500 20 0 CBADLP CC1(C)CN(C(=O)CC[NH+]2CCOCC2)CC[N@@H+]1CCO ZINC000781681168 582366319 /nfs/dbraw/zinc/36/63/19/582366319.db2.gz HRBWQKMILAZVPF-UHFFFAOYSA-N 2 2 299.415 -0.376 20 0 CBADLP CC1(C)CN(C(=O)CC[NH+]2CCOCC2)CC[N@H+]1CCO ZINC000781681168 582366320 /nfs/dbraw/zinc/36/63/20/582366320.db2.gz HRBWQKMILAZVPF-UHFFFAOYSA-N 2 2 299.415 -0.376 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2C[C@@H]3C[C@]3(CO)C2)CC1 ZINC000782620042 582369989 /nfs/dbraw/zinc/36/99/89/582369989.db2.gz UBGNUSIWWQCOOW-KCQAQPDRSA-N 2 2 281.400 -0.147 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2C[C@@H]3C[C@]3(CO)C2)CC1 ZINC000782620042 582369990 /nfs/dbraw/zinc/36/99/90/582369990.db2.gz UBGNUSIWWQCOOW-KCQAQPDRSA-N 2 2 281.400 -0.147 20 0 CBADLP C[NH+](C)CC(=O)N1CC[NH+](C[C@H](O)C2CC2)CC1 ZINC000785415525 582375934 /nfs/dbraw/zinc/37/59/34/582375934.db2.gz IHVGLZHAZZGNMN-LBPRGKRZSA-N 2 2 255.362 -0.537 20 0 CBADLP COC(=O)C[C@@H]1C(=O)NCC[N@H+]1CC1CC[NH+](C)CC1 ZINC000788471322 582386200 /nfs/dbraw/zinc/38/62/00/582386200.db2.gz PBSUDNQEEYAPRM-GFCCVEGCSA-N 2 2 283.372 -0.308 20 0 CBADLP COC(=O)C[C@@H]1C(=O)NCC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000788471322 582386201 /nfs/dbraw/zinc/38/62/01/582386201.db2.gz PBSUDNQEEYAPRM-GFCCVEGCSA-N 2 2 283.372 -0.308 20 0 CBADLP C[C@H](O)C[N@@H+]1CCN(C(=O)CC[NH+]2CCOCC2)[C@@H](C)C1 ZINC000793873565 582398951 /nfs/dbraw/zinc/39/89/51/582398951.db2.gz HKCFVDDKNXPYJD-KBPBESRZSA-N 2 2 299.415 -0.378 20 0 CBADLP C[C@H](O)C[N@H+]1CCN(C(=O)CC[NH+]2CCOCC2)[C@@H](C)C1 ZINC000793873565 582398952 /nfs/dbraw/zinc/39/89/52/582398952.db2.gz HKCFVDDKNXPYJD-KBPBESRZSA-N 2 2 299.415 -0.378 20 0 CBADLP CC[N@H+](C[C@@H](O)C[NH+]1CCCC1)[C@@H]1CCNC1=O ZINC000799354608 582419712 /nfs/dbraw/zinc/41/97/12/582419712.db2.gz UVGSWIZDIFEIPB-NWDGAFQWSA-N 2 2 255.362 -0.347 20 0 CBADLP CC[N@@H+](C[C@@H](O)C[NH+]1CCCC1)[C@@H]1CCNC1=O ZINC000799354608 582419713 /nfs/dbraw/zinc/41/97/13/582419713.db2.gz UVGSWIZDIFEIPB-NWDGAFQWSA-N 2 2 255.362 -0.347 20 0 CBADLP C[C@@H]1CN(C)C(=O)C[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000801547256 582424624 /nfs/dbraw/zinc/42/46/24/582424624.db2.gz LVWXOUPMMZAUST-GFCCVEGCSA-N 2 2 282.388 -0.687 20 0 CBADLP C[C@@H]1CN(C)C(=O)C[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000801547256 582424625 /nfs/dbraw/zinc/42/46/25/582424625.db2.gz LVWXOUPMMZAUST-GFCCVEGCSA-N 2 2 282.388 -0.687 20 0 CBADLP CCC[N@H+](C[C@H](O)C[NH+]1CCCC1)[C@H]1CC(=O)N(C)C1=O ZINC000801585917 582424841 /nfs/dbraw/zinc/42/48/41/582424841.db2.gz JTXYIAQPLGKKBR-OLZOCXBDSA-N 2 2 297.399 -0.088 20 0 CBADLP CCC[N@@H+](C[C@H](O)C[NH+]1CCCC1)[C@H]1CC(=O)N(C)C1=O ZINC000801585917 582424842 /nfs/dbraw/zinc/42/48/42/582424842.db2.gz JTXYIAQPLGKKBR-OLZOCXBDSA-N 2 2 297.399 -0.088 20 0 CBADLP Cn1c[nH+]cc1CNC(=O)CC[NH+]1CCOCC1 ZINC000811588388 582451024 /nfs/dbraw/zinc/45/10/24/582451024.db2.gz IWNZDYOMSCAQGD-UHFFFAOYSA-N 2 2 252.318 -0.241 20 0 CBADLP C[C@@H](NC(=O)NCc1c[nH+]cn1C)[C@@H]1C[N@H+](C)CCO1 ZINC000811896053 582451522 /nfs/dbraw/zinc/45/15/22/582451522.db2.gz HJBBRGUIAOBBRD-PWSUYJOCSA-N 2 2 281.360 -0.062 20 0 CBADLP C[C@@H](NC(=O)NCc1c[nH+]cn1C)[C@@H]1C[N@@H+](C)CCO1 ZINC000811896053 582451523 /nfs/dbraw/zinc/45/15/23/582451523.db2.gz HJBBRGUIAOBBRD-PWSUYJOCSA-N 2 2 281.360 -0.062 20 0 CBADLP O=C(CCCn1cc[nH+]c1)N[C@H](CO)C[NH+]1CCOCC1 ZINC000816506799 582476518 /nfs/dbraw/zinc/47/65/18/582476518.db2.gz MVFXFOPOLXSACB-ZDUSSCGKSA-N 2 2 296.371 -0.527 20 0 CBADLP C[NH+]1CCN(C(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)CC1 ZINC000817993328 582497600 /nfs/dbraw/zinc/49/76/00/582497600.db2.gz GAOWKVSKQNWXJZ-AWEZNQCLSA-N 2 2 280.372 -0.885 20 0 CBADLP CC[NH2+]CC(=O)N1CC[N@H+](CCC(=O)OC)C[C@@H]1C ZINC000818609632 582512720 /nfs/dbraw/zinc/51/27/20/582512720.db2.gz MJXYUMVTLORBFG-NSHDSACASA-N 2 2 271.361 -0.308 20 0 CBADLP CC[NH2+]CC(=O)N1CC[N@@H+](CCC(=O)OC)C[C@@H]1C ZINC000818609632 582512723 /nfs/dbraw/zinc/51/27/23/582512723.db2.gz MJXYUMVTLORBFG-NSHDSACASA-N 2 2 271.361 -0.308 20 0 CBADLP COCC[N@H+](C)CCC[NH2+]CCS(C)(=O)=O ZINC000818958383 582523931 /nfs/dbraw/zinc/52/39/31/582523931.db2.gz LGUHGAHUFGZWHQ-UHFFFAOYSA-N 2 2 252.380 -0.411 20 0 CBADLP COCC[N@@H+](C)CCC[NH2+]CCS(C)(=O)=O ZINC000818958383 582523934 /nfs/dbraw/zinc/52/39/34/582523934.db2.gz LGUHGAHUFGZWHQ-UHFFFAOYSA-N 2 2 252.380 -0.411 20 0 CBADLP COCC[N@@H+]1CC[C@@H]([NH2+]CCC(=O)N(C)OC)C1 ZINC000819039729 582525085 /nfs/dbraw/zinc/52/50/85/582525085.db2.gz SLLFNYQKFMTVJX-LLVKDONJSA-N 2 2 259.350 -0.293 20 0 CBADLP COCC[N@H+]1CC[C@@H]([NH2+]CCC(=O)N(C)OC)C1 ZINC000819039729 582525087 /nfs/dbraw/zinc/52/50/87/582525087.db2.gz SLLFNYQKFMTVJX-LLVKDONJSA-N 2 2 259.350 -0.293 20 0 CBADLP COCC[N@@H+]1CC[C@H]([NH2+]CCC(=O)N(C)OC)C1 ZINC000819039730 582525176 /nfs/dbraw/zinc/52/51/76/582525176.db2.gz SLLFNYQKFMTVJX-NSHDSACASA-N 2 2 259.350 -0.293 20 0 CBADLP COCC[N@H+]1CC[C@H]([NH2+]CCC(=O)N(C)OC)C1 ZINC000819039730 582525177 /nfs/dbraw/zinc/52/51/77/582525177.db2.gz SLLFNYQKFMTVJX-NSHDSACASA-N 2 2 259.350 -0.293 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@@H]2CCC(=O)O2)CC1 ZINC000821387730 582603093 /nfs/dbraw/zinc/60/30/93/582603093.db2.gz WNSBEHGHRKGPAF-STQMWFEESA-N 2 2 295.383 -0.070 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@@H]2CCC(=O)O2)CC1 ZINC000821387730 582603095 /nfs/dbraw/zinc/60/30/95/582603095.db2.gz WNSBEHGHRKGPAF-STQMWFEESA-N 2 2 295.383 -0.070 20 0 CBADLP C[NH+](C)CC(=O)N1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000821728090 582617195 /nfs/dbraw/zinc/61/71/95/582617195.db2.gz KIPFXPZKZVCVDS-UHFFFAOYSA-N 2 2 279.344 -0.815 20 0 CBADLP Cn1c[nH+]c(/C=C/C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)c1 ZINC000824298522 582692589 /nfs/dbraw/zinc/69/25/89/582692589.db2.gz WCPFLALELLDRFR-OUDYMMNNSA-N 2 2 276.340 -0.289 20 0 CBADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+]3CCN2CC3)CC[N@@H+]1C ZINC000827166672 582802623 /nfs/dbraw/zinc/80/26/23/582802623.db2.gz QRTBLGVSECYOIT-JHJVBQTASA-N 2 2 266.389 -0.557 20 0 CBADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+]3CCN2CC3)CC[N@H+]1C ZINC000827166672 582802625 /nfs/dbraw/zinc/80/26/25/582802625.db2.gz QRTBLGVSECYOIT-JHJVBQTASA-N 2 2 266.389 -0.557 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000828714858 582871498 /nfs/dbraw/zinc/87/14/98/582871498.db2.gz FZJBKLDVZXLUCF-ZYHUDNBSSA-N 2 2 259.325 -0.475 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000828714858 582871500 /nfs/dbraw/zinc/87/15/00/582871500.db2.gz FZJBKLDVZXLUCF-ZYHUDNBSSA-N 2 2 259.325 -0.475 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@]3(F)CC[NH2+]C3)C2)CC1 ZINC000829484712 582888103 /nfs/dbraw/zinc/88/81/03/582888103.db2.gz WLBLZKKAZCCXTA-WFASDCNBSA-N 3 2 298.406 -0.027 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@]3(F)CC[NH2+]C3)C2)CC1 ZINC000829484712 582888104 /nfs/dbraw/zinc/88/81/04/582888104.db2.gz WLBLZKKAZCCXTA-WFASDCNBSA-N 3 2 298.406 -0.027 20 0 CBADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)C[C@H]([NH3+])C2CC2)CC1 ZINC000830783724 582940398 /nfs/dbraw/zinc/94/03/98/582940398.db2.gz RWVSAHCAPLDSRY-NSHDSACASA-N 2 2 282.388 -0.478 20 0 CBADLP C[C@@H]1CN(C(=O)c2n[nH]c3c2C[NH2+]CC3)[C@H](C)C[NH2+]1 ZINC000831539951 582985340 /nfs/dbraw/zinc/98/53/40/582985340.db2.gz BTUWFXDYWFLCJC-RKDXNWHRSA-N 2 2 263.345 -0.122 20 0 CBADLP C[C@H](O)C[N@@H+]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC000832486455 583026930 /nfs/dbraw/zinc/02/69/30/583026930.db2.gz UKFTWVUKSOMRQF-MNOVXSKESA-N 2 2 266.345 -0.134 20 0 CBADLP C[C@H](O)C[N@H+]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC000832486455 583026933 /nfs/dbraw/zinc/02/69/33/583026933.db2.gz UKFTWVUKSOMRQF-MNOVXSKESA-N 2 2 266.345 -0.134 20 0 CBADLP C[NH+](C)C[C@@]1(O)CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000834565508 583131263 /nfs/dbraw/zinc/13/12/63/583131263.db2.gz UUTRGRUCTSJGGH-ZDUSSCGKSA-N 2 2 266.345 -0.133 20 0 CBADLP C[NH+](C)CCNC(=S)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000840803078 583167931 /nfs/dbraw/zinc/16/79/31/583167931.db2.gz NJAAEESRDUEAJS-TXEJJXNPSA-N 2 2 286.445 -0.125 20 0 CBADLP C[NH+](C)CCNC(=S)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000840803078 583167932 /nfs/dbraw/zinc/16/79/32/583167932.db2.gz NJAAEESRDUEAJS-TXEJJXNPSA-N 2 2 286.445 -0.125 20 0 CBADLP CC[N@@H+]1CC[C@@H](NC(=S)NCC[NH+]2CCOCC2)C1 ZINC000840865126 583168265 /nfs/dbraw/zinc/16/82/65/583168265.db2.gz AHNAXJOSOHRTQH-GFCCVEGCSA-N 2 2 286.445 -0.123 20 0 CBADLP CC[N@H+]1CC[C@@H](NC(=S)NCC[NH+]2CCOCC2)C1 ZINC000840865126 583168268 /nfs/dbraw/zinc/16/82/68/583168268.db2.gz AHNAXJOSOHRTQH-GFCCVEGCSA-N 2 2 286.445 -0.123 20 0 CBADLP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)CC[NH+]1CCOCC1 ZINC000841454102 583170695 /nfs/dbraw/zinc/17/06/95/583170695.db2.gz KWVZZPCJKKXJLR-ZIAGYGMSSA-N 2 2 299.415 -0.378 20 0 CBADLP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)CC[NH+]1CCOCC1 ZINC000841454102 583170698 /nfs/dbraw/zinc/17/06/98/583170698.db2.gz KWVZZPCJKKXJLR-ZIAGYGMSSA-N 2 2 299.415 -0.378 20 0 CBADLP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)[C@@H](C)C[N@@H+]1CCO ZINC000841454100 583170774 /nfs/dbraw/zinc/17/07/74/583170774.db2.gz KWVZZPCJKKXJLR-KGLIPLIRSA-N 2 2 299.415 -0.378 20 0 CBADLP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)[C@@H](C)C[N@H+]1CCO ZINC000841454100 583170776 /nfs/dbraw/zinc/17/07/76/583170776.db2.gz KWVZZPCJKKXJLR-KGLIPLIRSA-N 2 2 299.415 -0.378 20 0 CBADLP [NH3+]CCc1ccc(CNC(=O)CN2CC[NH2+]CC2=O)cc1 ZINC000841846155 583174877 /nfs/dbraw/zinc/17/48/77/583174877.db2.gz OIVJLAOMASZHDC-UHFFFAOYSA-N 2 2 290.367 -0.764 20 0 CBADLP C[C@@H](C[NH3+])NC(=O)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000842050872 583178964 /nfs/dbraw/zinc/17/89/64/583178964.db2.gz LGXLCQJGWHWORH-NSHDSACASA-N 2 2 290.367 -0.418 20 0 CBADLP O=C1OCC[C@H]1[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000843369822 583213163 /nfs/dbraw/zinc/21/31/63/583213163.db2.gz VPVLZHUBOKYPBX-WDEREUQCSA-N 2 2 267.329 -0.802 20 0 CBADLP O=C1OCC[C@H]1[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000843369822 583213165 /nfs/dbraw/zinc/21/31/65/583213165.db2.gz VPVLZHUBOKYPBX-WDEREUQCSA-N 2 2 267.329 -0.802 20 0 CBADLP Cn1ncc(C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])n1 ZINC000843376815 583213669 /nfs/dbraw/zinc/21/36/69/583213669.db2.gz GGKCBVGXTIJBBX-LBPRGKRZSA-N 2 2 280.376 -0.365 20 0 CBADLP Cn1ncc(C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])n1 ZINC000843376815 583213670 /nfs/dbraw/zinc/21/36/70/583213670.db2.gz GGKCBVGXTIJBBX-LBPRGKRZSA-N 2 2 280.376 -0.365 20 0 CBADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)C[NH2+]CC)CC1 ZINC000843486284 583227261 /nfs/dbraw/zinc/22/72/61/583227261.db2.gz DWOYASGTELFHPZ-UHFFFAOYSA-N 2 2 270.377 -0.734 20 0 CBADLP CCNC(=O)C[N@H+]1CCCN(C(=O)C[NH2+]CC)CC1 ZINC000843486284 583227263 /nfs/dbraw/zinc/22/72/63/583227263.db2.gz DWOYASGTELFHPZ-UHFFFAOYSA-N 2 2 270.377 -0.734 20 0 CBADLP [NH3+]CCCCCCNC(=O)CN1CC[NH2+]CC1=O ZINC000843506003 583231989 /nfs/dbraw/zinc/23/19/89/583231989.db2.gz PQFNCPWIYVGTMU-UHFFFAOYSA-N 2 2 256.350 -0.947 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)CO[C@H]2CCC[NH2+]C2)CCO1 ZINC000844179718 583257655 /nfs/dbraw/zinc/25/76/55/583257655.db2.gz XFXWECPQMPIQLP-STQMWFEESA-N 2 2 285.388 -0.408 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)CO[C@H]2CCC[NH2+]C2)CCO1 ZINC000844179718 583257656 /nfs/dbraw/zinc/25/76/56/583257656.db2.gz XFXWECPQMPIQLP-STQMWFEESA-N 2 2 285.388 -0.408 20 0 CBADLP CC1(C)COCC[N@@H+]1CCNC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000844180963 583258320 /nfs/dbraw/zinc/25/83/20/583258320.db2.gz JMNIPSYDJFSKJP-ZDUSSCGKSA-N 2 2 299.415 -0.018 20 0 CBADLP CC1(C)COCC[N@H+]1CCNC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000844180963 583258322 /nfs/dbraw/zinc/25/83/22/583258322.db2.gz JMNIPSYDJFSKJP-ZDUSSCGKSA-N 2 2 299.415 -0.018 20 0 CBADLP O=C(CO[C@H]1CCC[NH2+]C1)NCCc1[nH]cc[nH+]1 ZINC000844185243 583259671 /nfs/dbraw/zinc/25/96/71/583259671.db2.gz KKYWQTCOWLRBRJ-JTQLQIEISA-N 2 2 252.318 -0.163 20 0 CBADLP C[NH+](C)CCN1CC[N@H+](C[C@@H](O)C2CC2)CC1=O ZINC000844381871 583269578 /nfs/dbraw/zinc/26/95/78/583269578.db2.gz TYSSTWBMYLVPSP-GFCCVEGCSA-N 2 2 255.362 -0.537 20 0 CBADLP C[NH+](C)CCN1CC[N@@H+](C[C@@H](O)C2CC2)CC1=O ZINC000844381871 583269580 /nfs/dbraw/zinc/26/95/80/583269580.db2.gz TYSSTWBMYLVPSP-GFCCVEGCSA-N 2 2 255.362 -0.537 20 0 CBADLP CCON(C)C(=O)C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000846062191 583350878 /nfs/dbraw/zinc/35/08/78/583350878.db2.gz CAYASNIRIHQBLV-UHFFFAOYSA-N 2 2 269.349 -0.014 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCC(=O)NCc1ccccc1 ZINC000846667531 583381710 /nfs/dbraw/zinc/38/17/10/583381710.db2.gz DYHGIBSBQCZTFJ-CYBMUJFWSA-N 2 2 292.383 -0.302 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCNC(=O)C1(C)C ZINC000846669622 583381830 /nfs/dbraw/zinc/38/18/30/583381830.db2.gz HYHPTPSKQNWKBH-SECBINFHSA-N 2 2 256.350 -0.998 20 0 CBADLP CCOC(=O)N1CC[C@@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000846682351 583383196 /nfs/dbraw/zinc/38/31/96/583383196.db2.gz OHEQUFUILSHCOX-MNOVXSKESA-N 2 2 286.376 -0.388 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)[C@@H]1CCCCNC1=O ZINC000846797663 583387649 /nfs/dbraw/zinc/38/76/49/583387649.db2.gz CUWKYLWRZDYXNN-CHWSQXEVSA-N 2 2 287.404 -0.474 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@@H]1CCCCNC1=O ZINC000846797663 583387651 /nfs/dbraw/zinc/38/76/51/583387651.db2.gz CUWKYLWRZDYXNN-CHWSQXEVSA-N 2 2 287.404 -0.474 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)[C@@H]1CCCCNC1=O ZINC000846797663 583387653 /nfs/dbraw/zinc/38/76/53/583387653.db2.gz CUWKYLWRZDYXNN-CHWSQXEVSA-N 2 2 287.404 -0.474 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@@H]1CCCCNC1=O ZINC000846797663 583387655 /nfs/dbraw/zinc/38/76/55/583387655.db2.gz CUWKYLWRZDYXNN-CHWSQXEVSA-N 2 2 287.404 -0.474 20 0 CBADLP CON1CC[NH+](C/C=C\C[NH+]2CCN(OC)CC2)CC1 ZINC000846976357 583394597 /nfs/dbraw/zinc/39/45/97/583394597.db2.gz LDZDESLMYGBAOR-ARJAWSKDSA-N 2 2 284.404 -0.099 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCN(OC)CC2)CC1 ZINC000846977969 583395036 /nfs/dbraw/zinc/39/50/36/583395036.db2.gz POXLXDZSYXMAHS-CYBMUJFWSA-N 2 2 284.404 -0.282 20 0 CBADLP C[C@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)[NH+](C)C ZINC000848996515 583465293 /nfs/dbraw/zinc/46/52/93/583465293.db2.gz AIUDVVHVWVBVEN-GFCCVEGCSA-N 3 2 271.409 -0.227 20 0 CBADLP COCC[N@H+](C)CCNC(=[NH2+])N1CCO[C@@H](C)C1 ZINC000849000566 583466300 /nfs/dbraw/zinc/46/63/00/583466300.db2.gz BWUINIGDLCPWBL-NSHDSACASA-N 2 2 258.366 -0.190 20 0 CBADLP COCC[N@@H+](C)CCNC(=[NH2+])N1CCO[C@@H](C)C1 ZINC000849000566 583466302 /nfs/dbraw/zinc/46/63/02/583466302.db2.gz BWUINIGDLCPWBL-NSHDSACASA-N 2 2 258.366 -0.190 20 0 CBADLP C[NH+](C)CC(=O)N1CC[NH+](C[C@H]2COC(C)(C)O2)CC1 ZINC000851725578 583523364 /nfs/dbraw/zinc/52/33/64/583523364.db2.gz FZKZUBOBPFWYQF-LBPRGKRZSA-N 2 2 285.388 -0.156 20 0 CBADLP OC1(C[NH+]2CCOCC2)CC[NH+](Cc2cnon2)CC1 ZINC000851887138 583530444 /nfs/dbraw/zinc/53/04/44/583530444.db2.gz LPSCNCKRDAQIIR-UHFFFAOYSA-N 2 2 282.344 -0.271 20 0 CBADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCCN(C=O)CC1 ZINC000852073217 583536102 /nfs/dbraw/zinc/53/61/02/583536102.db2.gz PSNJXHNPBPLCMC-CYBMUJFWSA-N 2 2 257.378 -0.148 20 0 CBADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCCN(C=O)CC1 ZINC000852073217 583536106 /nfs/dbraw/zinc/53/61/06/583536106.db2.gz PSNJXHNPBPLCMC-CYBMUJFWSA-N 2 2 257.378 -0.148 20 0 CBADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCCN(C=O)CC1 ZINC000852073217 583536108 /nfs/dbraw/zinc/53/61/08/583536108.db2.gz PSNJXHNPBPLCMC-CYBMUJFWSA-N 2 2 257.378 -0.148 20 0 CBADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCCN(C=O)CC1 ZINC000852073217 583536111 /nfs/dbraw/zinc/53/61/11/583536111.db2.gz PSNJXHNPBPLCMC-CYBMUJFWSA-N 2 2 257.378 -0.148 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC2=C(CCC(=O)N2)C1 ZINC000852296172 583542107 /nfs/dbraw/zinc/54/21/07/583542107.db2.gz RFJJUZBBYGPMMN-ZDUSSCGKSA-N 2 2 297.399 -0.205 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC2=C(CCC(=O)N2)C1 ZINC000852296172 583542109 /nfs/dbraw/zinc/54/21/09/583542109.db2.gz RFJJUZBBYGPMMN-ZDUSSCGKSA-N 2 2 297.399 -0.205 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC2=C(CCC(=O)N2)C1 ZINC000852296172 583542110 /nfs/dbraw/zinc/54/21/10/583542110.db2.gz RFJJUZBBYGPMMN-ZDUSSCGKSA-N 2 2 297.399 -0.205 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC2=C(CCC(=O)N2)C1 ZINC000852296172 583542111 /nfs/dbraw/zinc/54/21/11/583542111.db2.gz RFJJUZBBYGPMMN-ZDUSSCGKSA-N 2 2 297.399 -0.205 20 0 CBADLP O=C1N[C@@H]2C[N@H+](C[C@@H]3C[NH2+]CCO3)CC[C@H]2CO1 ZINC000852752764 583551638 /nfs/dbraw/zinc/55/16/38/583551638.db2.gz KZBZENQUYMHRBS-GARJFASQSA-N 2 2 255.318 -0.595 20 0 CBADLP O=C1N[C@@H]2C[N@@H+](C[C@@H]3C[NH2+]CCO3)CC[C@H]2CO1 ZINC000852752764 583551639 /nfs/dbraw/zinc/55/16/39/583551639.db2.gz KZBZENQUYMHRBS-GARJFASQSA-N 2 2 255.318 -0.595 20 0 CBADLP [NH3+]CCN(Cc1ccc(-n2cc[nH+]c2)nc1)C[C@H](O)CO ZINC000852753971 583551871 /nfs/dbraw/zinc/55/18/71/583551871.db2.gz WLUQDNSNHDQMKI-ZDUSSCGKSA-N 2 2 291.355 -0.619 20 0 CBADLP C[N@@H+]1CCN(C(=O)/C=C\c2ccc(C(N)=O)o2)[C@H](C[NH3+])C1 ZINC000852798072 583553317 /nfs/dbraw/zinc/55/33/17/583553317.db2.gz FJIUAIMAZFIXLQ-TZGMSPROSA-N 2 2 292.339 -0.507 20 0 CBADLP C[N@H+]1CCN(C(=O)/C=C\c2ccc(C(N)=O)o2)[C@H](C[NH3+])C1 ZINC000852798072 583553318 /nfs/dbraw/zinc/55/33/18/583553318.db2.gz FJIUAIMAZFIXLQ-TZGMSPROSA-N 2 2 292.339 -0.507 20 0 CBADLP O=C(NCc1ccc(-n2cc[nH+]c2)nc1)C1(O)C[NH2+]C1 ZINC000852857205 583561832 /nfs/dbraw/zinc/56/18/32/583561832.db2.gz LZIAOZXBEMCAGG-UHFFFAOYSA-N 2 2 273.296 -0.782 20 0 CBADLP [NH3+]C[C@H]1CC(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)=NO1 ZINC000852886079 583568708 /nfs/dbraw/zinc/56/87/08/583568708.db2.gz GSAUXGJXMPBKNT-WDEREUQCSA-N 2 2 289.339 -0.120 20 0 CBADLP [NH3+]C[C@H]1CC(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)=NO1 ZINC000852886074 583568734 /nfs/dbraw/zinc/56/87/34/583568734.db2.gz GSAUXGJXMPBKNT-GHMZBOCLSA-N 2 2 289.339 -0.120 20 0 CBADLP C[C@@H](NC(=O)C1=NO[C@H](C[NH3+])C1)c1[nH+]ccn1C ZINC000852916899 583574807 /nfs/dbraw/zinc/57/48/07/583574807.db2.gz CUVJORHSBBJWEV-SFYZADRCSA-N 2 2 251.290 -0.299 20 0 CBADLP Cc1cc(CO)cc(N2CCC[N@H+](CC(N)=O)CC2)[nH+]1 ZINC000853216029 583580478 /nfs/dbraw/zinc/58/04/78/583580478.db2.gz YVYGBFIRJMMWDO-UHFFFAOYSA-N 2 2 278.356 -0.120 20 0 CBADLP Cc1cc(CO)cc(N2CCC[N@@H+](CC(N)=O)CC2)[nH+]1 ZINC000853216029 583580481 /nfs/dbraw/zinc/58/04/81/583580481.db2.gz YVYGBFIRJMMWDO-UHFFFAOYSA-N 2 2 278.356 -0.120 20 0 CBADLP O=C(CC[NH+]1CCOCC1)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000854353755 583600223 /nfs/dbraw/zinc/60/02/23/583600223.db2.gz FFPCVZWNGCYQRY-CQSZACIVSA-N 2 2 296.415 -0.785 20 0 CBADLP O=C(CC[NH+]1CCOCC1)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000854353755 583600225 /nfs/dbraw/zinc/60/02/25/583600225.db2.gz FFPCVZWNGCYQRY-CQSZACIVSA-N 2 2 296.415 -0.785 20 0 CBADLP O=C(CC[NH+]1CCOCC1)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000854353755 583600227 /nfs/dbraw/zinc/60/02/27/583600227.db2.gz FFPCVZWNGCYQRY-CQSZACIVSA-N 2 2 296.415 -0.785 20 0 CBADLP O=C(CC[NH+]1CCOCC1)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000854353755 583600228 /nfs/dbraw/zinc/60/02/28/583600228.db2.gz FFPCVZWNGCYQRY-CQSZACIVSA-N 2 2 296.415 -0.785 20 0 CBADLP COC(=O)[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[N@H+](C)C1 ZINC000854932692 583628444 /nfs/dbraw/zinc/62/84/44/583628444.db2.gz PSOSBQYVQHDEPL-JTQLQIEISA-N 2 2 280.328 -0.485 20 0 CBADLP COC(=O)[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[N@@H+](C)C1 ZINC000854932692 583628445 /nfs/dbraw/zinc/62/84/45/583628445.db2.gz PSOSBQYVQHDEPL-JTQLQIEISA-N 2 2 280.328 -0.485 20 0 CBADLP C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC000854955211 583629766 /nfs/dbraw/zinc/62/97/66/583629766.db2.gz QRIZIFDFXGRDIO-WDEREUQCSA-N 2 2 266.345 -0.134 20 0 CBADLP C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC000854955211 583629767 /nfs/dbraw/zinc/62/97/67/583629767.db2.gz QRIZIFDFXGRDIO-WDEREUQCSA-N 2 2 266.345 -0.134 20 0 CBADLP Cn1ncc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)n1 ZINC000855415373 583638985 /nfs/dbraw/zinc/63/89/85/583638985.db2.gz WOGCJAUVIIYSIM-UHFFFAOYSA-N 2 2 268.365 -0.572 20 0 CBADLP Cn1ncc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)n1 ZINC000855415373 583638987 /nfs/dbraw/zinc/63/89/87/583638987.db2.gz WOGCJAUVIIYSIM-UHFFFAOYSA-N 2 2 268.365 -0.572 20 0 CBADLP CN1CC[C@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)CC1=O ZINC000855417276 583639155 /nfs/dbraw/zinc/63/91/55/583639155.db2.gz WPGPKCVXQGNKJS-ZDUSSCGKSA-N 2 2 298.431 -0.146 20 0 CBADLP CN1CC[C@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)CC1=O ZINC000855417276 583639157 /nfs/dbraw/zinc/63/91/57/583639157.db2.gz WPGPKCVXQGNKJS-ZDUSSCGKSA-N 2 2 298.431 -0.146 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NC1CC([NH+](C)C)C1 ZINC000857229397 583667551 /nfs/dbraw/zinc/66/75/51/583667551.db2.gz SGGDZKHFWFZAIS-UHFFFAOYSA-N 2 2 284.404 -0.348 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NC1CC([NH+](C)C)C1 ZINC000857229397 583667553 /nfs/dbraw/zinc/66/75/53/583667553.db2.gz SGGDZKHFWFZAIS-UHFFFAOYSA-N 2 2 284.404 -0.348 20 0 CBADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1cncnc1 ZINC000858224971 583688381 /nfs/dbraw/zinc/68/83/81/583688381.db2.gz YQMKSXHOSWOIQN-LBPRGKRZSA-N 2 2 263.345 -0.094 20 0 CBADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cncnc1 ZINC000858224971 583688384 /nfs/dbraw/zinc/68/83/84/583688384.db2.gz YQMKSXHOSWOIQN-LBPRGKRZSA-N 2 2 263.345 -0.094 20 0 CBADLP COC(=O)N1CCC([NH2+]CC[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000858298455 583690787 /nfs/dbraw/zinc/69/07/87/583690787.db2.gz RUNFMSUALHUZBN-GFCCVEGCSA-N 2 2 271.361 -0.127 20 0 CBADLP COC(=O)N1CCC([NH2+]CC[N@H+]2CC[C@@H](O)C2)CC1 ZINC000858298455 583690790 /nfs/dbraw/zinc/69/07/90/583690790.db2.gz RUNFMSUALHUZBN-GFCCVEGCSA-N 2 2 271.361 -0.127 20 0 CBADLP O=C(C[NH+]1CCN(c2cc[nH+]c(CO)c2)CC1)NC1CC1 ZINC000858325643 583691596 /nfs/dbraw/zinc/69/15/96/583691596.db2.gz GSOGMXKXZGLKTI-UHFFFAOYSA-N 2 2 290.367 -0.026 20 0 CBADLP Cn1cc(CC[NH+]2CCN(c3[nH]cc[nH+]3)CC2)nn1 ZINC000859280458 583713314 /nfs/dbraw/zinc/71/33/14/583713314.db2.gz LIMURKZEFDTYJC-UHFFFAOYSA-N 2 2 261.333 -0.097 20 0 CBADLP O[C@@H](CN1CC[NH+](Cc2cn[nH]c2)CC1)C[NH+]1CCCC1 ZINC000859330939 583714690 /nfs/dbraw/zinc/71/46/90/583714690.db2.gz NLZRVEDHFBDAJX-OAHLLOKOSA-N 2 2 293.415 -0.016 20 0 CBADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860168374 583740743 /nfs/dbraw/zinc/74/07/43/583740743.db2.gz UXKXYZMIAPCYNS-IJLUTSLNSA-N 2 2 256.346 -0.208 20 0 CBADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860168374 583740745 /nfs/dbraw/zinc/74/07/45/583740745.db2.gz UXKXYZMIAPCYNS-IJLUTSLNSA-N 2 2 256.346 -0.208 20 0 CBADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860168374 583740748 /nfs/dbraw/zinc/74/07/48/583740748.db2.gz UXKXYZMIAPCYNS-IJLUTSLNSA-N 2 2 256.346 -0.208 20 0 CBADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860168374 583740750 /nfs/dbraw/zinc/74/07/50/583740750.db2.gz UXKXYZMIAPCYNS-IJLUTSLNSA-N 2 2 256.346 -0.208 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)N1CCC[C@H](C[NH3+])C1 ZINC000861682718 583777384 /nfs/dbraw/zinc/77/73/84/583777384.db2.gz YXHZUJGNLXWUAE-VXGBXAGGSA-N 2 2 270.377 -0.303 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)N1CCC[C@H](C[NH3+])C1 ZINC000861682718 583777387 /nfs/dbraw/zinc/77/73/87/583777387.db2.gz YXHZUJGNLXWUAE-VXGBXAGGSA-N 2 2 270.377 -0.303 20 0 CBADLP C[C@H]([NH3+])CN(C)C(=O)C(=O)NCCCNc1cccc[nH+]1 ZINC000861761746 583785017 /nfs/dbraw/zinc/78/50/17/583785017.db2.gz ADHIZDLMARPDRT-NSHDSACASA-N 2 2 293.371 -0.195 20 0 CBADLP C[C@H]([NH3+])CN(C)C(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000861771650 583785665 /nfs/dbraw/zinc/78/56/65/583785665.db2.gz WWTQTXDVKJCYJX-JTQLQIEISA-N 2 2 267.333 -0.805 20 0 CBADLP COC(=O)C[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863549684 583846444 /nfs/dbraw/zinc/84/64/44/583846444.db2.gz OVAVMIGTGLWBFS-MNOVXSKESA-N 2 2 283.328 -0.584 20 0 CBADLP COC(=O)N1CC([NH2+]C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000863552268 583846499 /nfs/dbraw/zinc/84/64/99/583846499.db2.gz QNYXNGLTFKMLMQ-LLVKDONJSA-N 2 2 257.334 -0.517 20 0 CBADLP Cn1cc([C@@H](O)C[NH2+]C[C@@H](O)C[NH+]2CCCC2)cn1 ZINC000863561218 583846981 /nfs/dbraw/zinc/84/69/81/583846981.db2.gz DAHGQFBFFGALAQ-OLZOCXBDSA-N 2 2 268.361 -0.500 20 0 CBADLP CON(C)C(=O)[C@@H](C)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000863586957 583848032 /nfs/dbraw/zinc/84/80/32/583848032.db2.gz QDYXWQLFCUYUKX-KOLCDFICSA-N 2 2 259.350 -0.561 20 0 CBADLP CON(C)C(=O)[C@@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000863586957 583848034 /nfs/dbraw/zinc/84/80/34/583848034.db2.gz QDYXWQLFCUYUKX-KOLCDFICSA-N 2 2 259.350 -0.561 20 0 CBADLP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000863751724 583852553 /nfs/dbraw/zinc/85/25/53/583852553.db2.gz LCAFDMNYXSOQKE-JTQLQIEISA-N 2 2 268.361 -0.901 20 0 CBADLP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000863753695 583852741 /nfs/dbraw/zinc/85/27/41/583852741.db2.gz ICOXPBXGPJRHRE-JTQLQIEISA-N 2 2 293.371 -0.079 20 0 CBADLP C[NH+]1CCN(C(=O)/C=C/C[NH+]2CCOCC2)CC1 ZINC000864381566 583880972 /nfs/dbraw/zinc/88/09/72/583880972.db2.gz CQWAROCNMLSCJR-NSCUHMNNSA-N 2 2 253.346 -0.351 20 0 CBADLP O=C(/C=C/C[NH+]1CCOCC1)NCCC[NH+]1CCOCC1 ZINC000864413822 583881383 /nfs/dbraw/zinc/88/13/83/583881383.db2.gz DLTNNMZBFUYCAJ-HNQUOIGGSA-N 2 2 297.399 -0.287 20 0 CBADLP C[C@H](CNC(=O)/C=C/C[NH+]1CCOCC1)[NH+](C)C ZINC000864827257 583890324 /nfs/dbraw/zinc/89/03/24/583890324.db2.gz FGLRMMAZBSVJQD-ZYOFXKKJSA-N 2 2 255.362 -0.059 20 0 CBADLP C[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000865124422 583897609 /nfs/dbraw/zinc/89/76/09/583897609.db2.gz ARGVOQYQELJMJP-ONGXEEELSA-N 2 2 252.318 -0.004 20 0 CBADLP COCCN(CC[NH+](C)C)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000865181135 583899636 /nfs/dbraw/zinc/89/96/36/583899636.db2.gz ZXNUBMOFPLEJBW-LLVKDONJSA-N 2 2 270.333 -0.520 20 0 CBADLP CCCn1cc(C[NH2+]CCC(=O)N2CC[NH+](C)CC2)nn1 ZINC000865449166 583905332 /nfs/dbraw/zinc/90/53/32/583905332.db2.gz RQUTWALWIGLMKL-UHFFFAOYSA-N 2 2 294.403 -0.058 20 0 CBADLP CN(C(=O)[C@H](O)c1c[nH+]c[nH]1)[C@H]1C[NH+]2CCC1CC2 ZINC000865712680 583908108 /nfs/dbraw/zinc/90/81/08/583908108.db2.gz DUCYGGXMDNNBBH-NWDGAFQWSA-N 2 2 264.329 -0.004 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@]12COCCN1C(=O)COC2 ZINC000865798264 583909712 /nfs/dbraw/zinc/90/97/12/583909712.db2.gz RJXIAXGXNMCDHG-YRGRVCCFSA-N 2 2 283.372 -0.846 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@]12COCCN1C(=O)COC2 ZINC000865798264 583909713 /nfs/dbraw/zinc/90/97/13/583909713.db2.gz RJXIAXGXNMCDHG-YRGRVCCFSA-N 2 2 283.372 -0.846 20 0 CBADLP O=C([C@@H](O)c1c[nH+]c[nH]1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000866378848 583921166 /nfs/dbraw/zinc/92/11/66/583921166.db2.gz BDYMCCPEGCSNSE-AAEUAGOBSA-N 2 2 294.355 -0.376 20 0 CBADLP NC(=O)c1ccc(CC[N@@H+]2CCO[C@@H](C[NH3+])C2)cc1 ZINC000866662173 583926245 /nfs/dbraw/zinc/92/62/45/583926245.db2.gz YJBLYKGSHHIKHZ-ZDUSSCGKSA-N 2 2 263.341 -0.013 20 0 CBADLP NC(=O)c1ccc(CC[N@H+]2CCO[C@@H](C[NH3+])C2)cc1 ZINC000866662173 583926246 /nfs/dbraw/zinc/92/62/46/583926246.db2.gz YJBLYKGSHHIKHZ-ZDUSSCGKSA-N 2 2 263.341 -0.013 20 0 CBADLP C[N@@H+]1CC[C@H]2C[NH+](CCC(=O)N3CC[NH2+]CC3)CC[C@@H]21 ZINC000866703164 583927876 /nfs/dbraw/zinc/92/78/76/583927876.db2.gz GEXAFMAKZSYIAG-KBPBESRZSA-N 3 2 280.416 -0.166 20 0 CBADLP C[N@H+]1CC[C@H]2C[NH+](CCC(=O)N3CC[NH2+]CC3)CC[C@@H]21 ZINC000866703164 583927877 /nfs/dbraw/zinc/92/78/77/583927877.db2.gz GEXAFMAKZSYIAG-KBPBESRZSA-N 3 2 280.416 -0.166 20 0 CBADLP C[NH+]1CC[C@H]2C[N@H+](CCC(=O)N3CC[NH2+]CC3)CC[C@@H]21 ZINC000866703164 583927878 /nfs/dbraw/zinc/92/78/78/583927878.db2.gz GEXAFMAKZSYIAG-KBPBESRZSA-N 3 2 280.416 -0.166 20 0 CBADLP C[NH+]1CC[C@H]2C[N@@H+](CCC(=O)N3CC[NH2+]CC3)CC[C@@H]21 ZINC000866703164 583927879 /nfs/dbraw/zinc/92/78/79/583927879.db2.gz GEXAFMAKZSYIAG-KBPBESRZSA-N 3 2 280.416 -0.166 20 0 CBADLP Cn1ncc(C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)n1 ZINC000866711754 583928129 /nfs/dbraw/zinc/92/81/29/583928129.db2.gz NBEYXROQNHGSSW-UTUOFQBUSA-N 2 2 292.343 -0.818 20 0 CBADLP Cn1ncc(C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)n1 ZINC000866711754 583928130 /nfs/dbraw/zinc/92/81/30/583928130.db2.gz NBEYXROQNHGSSW-UTUOFQBUSA-N 2 2 292.343 -0.818 20 0 CBADLP CCOC(=O)C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866713979 583928338 /nfs/dbraw/zinc/92/83/38/583928338.db2.gz CEHVEGQGDNSGBL-AXFHLTTASA-N 2 2 283.328 -0.584 20 0 CBADLP CCOC(=O)C[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866713979 583928339 /nfs/dbraw/zinc/92/83/39/583928339.db2.gz CEHVEGQGDNSGBL-AXFHLTTASA-N 2 2 283.328 -0.584 20 0 CBADLP C[C@H](NC(=O)/C=C/C[NH+]1CCOCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000866800706 583933379 /nfs/dbraw/zinc/93/33/79/583933379.db2.gz YDIXCDMRDMLUIC-NVFZZLLCSA-N 2 2 297.399 -0.290 20 0 CBADLP C[C@H](NC(=O)/C=C/C[NH+]1CCOCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000866800706 583933382 /nfs/dbraw/zinc/93/33/82/583933382.db2.gz YDIXCDMRDMLUIC-NVFZZLLCSA-N 2 2 297.399 -0.290 20 0 CBADLP CS[C@@H]1CN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)C[C@H]1[NH+](C)C ZINC000867021047 583938566 /nfs/dbraw/zinc/93/85/66/583938566.db2.gz PATZGFAMZRGNHT-MXWKQRLJSA-N 2 2 284.385 -0.053 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)CC[N@@H+]1CC(C)(C)O ZINC000867654500 583959513 /nfs/dbraw/zinc/95/95/13/583959513.db2.gz LNWMJAXVNOIXSQ-PWSUYJOCSA-N 2 2 296.371 -0.253 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)CC[N@H+]1CC(C)(C)O ZINC000867654500 583959514 /nfs/dbraw/zinc/95/95/14/583959514.db2.gz LNWMJAXVNOIXSQ-PWSUYJOCSA-N 2 2 296.371 -0.253 20 0 CBADLP C[N@@H+]1CCn2nc(NC(=O)NCCOCCC[NH3+])cc2C1 ZINC000868203958 583972698 /nfs/dbraw/zinc/97/26/98/583972698.db2.gz IYYYBXJXQYWLBB-UHFFFAOYSA-N 2 2 296.375 -0.185 20 0 CBADLP C[N@H+]1CCn2nc(NC(=O)NCCOCCC[NH3+])cc2C1 ZINC000868203958 583972701 /nfs/dbraw/zinc/97/27/01/583972701.db2.gz IYYYBXJXQYWLBB-UHFFFAOYSA-N 2 2 296.375 -0.185 20 0 CBADLP C[N@@H+]1CCn2nc(NC(=O)NC[C@H]3C[NH2+]CCO3)cc2C1 ZINC000868203189 583972836 /nfs/dbraw/zinc/97/28/36/583972836.db2.gz CSDRYXDQGQTQON-LLVKDONJSA-N 2 2 294.359 -0.562 20 0 CBADLP C[N@H+]1CCn2nc(NC(=O)NC[C@H]3C[NH2+]CCO3)cc2C1 ZINC000868203189 583972839 /nfs/dbraw/zinc/97/28/39/583972839.db2.gz CSDRYXDQGQTQON-LLVKDONJSA-N 2 2 294.359 -0.562 20 0 CBADLP C[N@@H+]1CCn2nc(NC(=O)NCCC[NH3+])cc2C1 ZINC000868205676 583972848 /nfs/dbraw/zinc/97/28/48/583972848.db2.gz OOXHTSSJJDDQRS-UHFFFAOYSA-N 2 2 252.322 -0.201 20 0 CBADLP C[N@H+]1CCn2nc(NC(=O)NCCC[NH3+])cc2C1 ZINC000868205676 583972850 /nfs/dbraw/zinc/97/28/50/583972850.db2.gz OOXHTSSJJDDQRS-UHFFFAOYSA-N 2 2 252.322 -0.201 20 0 CBADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000868391591 583977045 /nfs/dbraw/zinc/97/70/45/583977045.db2.gz LVVWTQDJSPNZOR-CQSZACIVSA-N 2 2 291.355 -0.277 20 0 CBADLP CN(Cc1c[nH+]c[nH]1)C(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000868418943 583978833 /nfs/dbraw/zinc/97/88/33/583978833.db2.gz SSGBCNJJIWULKS-VXGBXAGGSA-N 2 2 291.355 -0.279 20 0 CBADLP CN(Cc1c[nH]c[nH+]1)C(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000868418943 583978835 /nfs/dbraw/zinc/97/88/35/583978835.db2.gz SSGBCNJJIWULKS-VXGBXAGGSA-N 2 2 291.355 -0.279 20 0 CBADLP C[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](O)c3c[nH+]c[nH]3)C2)C1 ZINC000868535278 583980907 /nfs/dbraw/zinc/98/09/07/583980907.db2.gz QXOZJIQHWVHDQG-YPMHNXCESA-N 2 2 264.329 -0.003 20 0 CBADLP C[N@H+]1CC[C@]2(CCN(C(=O)[C@H](O)c3c[nH+]c[nH]3)C2)C1 ZINC000868535278 583980909 /nfs/dbraw/zinc/98/09/09/583980909.db2.gz QXOZJIQHWVHDQG-YPMHNXCESA-N 2 2 264.329 -0.003 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)C[C@H](C)[N@H+]1C ZINC000868581368 583982032 /nfs/dbraw/zinc/98/20/32/583982032.db2.gz NRTBEALYUJPECO-NGZCFLSTSA-N 2 2 252.318 -0.006 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)C[C@H](C)[N@@H+]1C ZINC000868581368 583982033 /nfs/dbraw/zinc/98/20/33/583982033.db2.gz NRTBEALYUJPECO-NGZCFLSTSA-N 2 2 252.318 -0.006 20 0 CBADLP CC[N@@H+]1CC[C@H]2OCCN(C(=O)[C@@H](O)c3c[nH+]c[nH]3)[C@H]2C1 ZINC000868569368 583982163 /nfs/dbraw/zinc/98/21/63/583982163.db2.gz HCKUGOUGZOMDPV-XQQFMLRXSA-N 2 2 294.355 -0.235 20 0 CBADLP CC[N@H+]1CC[C@H]2OCCN(C(=O)[C@@H](O)c3c[nH+]c[nH]3)[C@H]2C1 ZINC000868569368 583982164 /nfs/dbraw/zinc/98/21/64/583982164.db2.gz HCKUGOUGZOMDPV-XQQFMLRXSA-N 2 2 294.355 -0.235 20 0 CBADLP C[NH+](C)CC1CN(C(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000868631546 583982896 /nfs/dbraw/zinc/98/28/96/583982896.db2.gz VYDPYJCTWMDEDP-ARJAWSKDSA-N 2 2 267.373 -0.105 20 0 CBADLP C[NH+](C)CCONC(=O)/C=C/C[NH+]1CCOCC1 ZINC000868629516 583983052 /nfs/dbraw/zinc/98/30/52/583983052.db2.gz POQIJFGAUJDUTB-ONEGZZNKSA-N 2 2 257.334 -0.516 20 0 CBADLP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000869081605 583992297 /nfs/dbraw/zinc/99/22/97/583992297.db2.gz ONABFXYVOQVFLE-MWLCHTKSSA-N 2 2 295.343 -0.979 20 0 CBADLP CN(CC1C[NH+](C)C1)C(=O)/C=C/C[NH+]1CCOCC1 ZINC000869256349 583996571 /nfs/dbraw/zinc/99/65/71/583996571.db2.gz UXCPJUPCZATKAG-ONEGZZNKSA-N 2 2 267.373 -0.105 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC000870059514 584007971 /nfs/dbraw/zinc/00/79/71/584007971.db2.gz JBJHEIFPBMAVQD-CYBMUJFWSA-N 2 2 294.355 -0.557 20 0 CBADLP CC[NH+](CC)CC(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC000870066183 584008450 /nfs/dbraw/zinc/00/84/50/584008450.db2.gz ACJUYHGKROZMEA-AWEZNQCLSA-N 2 2 299.415 -0.112 20 0 CBADLP CCC[N@H+](C)CC(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC000870069082 584008727 /nfs/dbraw/zinc/00/87/27/584008727.db2.gz XJNDLJYFCFLHFW-AWEZNQCLSA-N 2 2 299.415 -0.112 20 0 CBADLP CCC[N@@H+](C)CC(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC000870069082 584008729 /nfs/dbraw/zinc/00/87/29/584008729.db2.gz XJNDLJYFCFLHFW-AWEZNQCLSA-N 2 2 299.415 -0.112 20 0 CBADLP C[NH+](C)CC(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC000870069890 584009084 /nfs/dbraw/zinc/00/90/84/584009084.db2.gz FKYJSZONNCOORX-LBPRGKRZSA-N 2 2 271.361 -0.892 20 0 CBADLP CCO[C@@H]1COCC[C@H]1CC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000870938404 584022107 /nfs/dbraw/zinc/02/21/07/584022107.db2.gz NTARPFMKKSVGLG-MELADBBJSA-N 2 2 299.415 -0.081 20 0 CBADLP CCO[C@@H]1COCC[C@H]1CC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000870938404 584022108 /nfs/dbraw/zinc/02/21/08/584022108.db2.gz NTARPFMKKSVGLG-MELADBBJSA-N 2 2 299.415 -0.081 20 0 CBADLP C[N@@H+]1CCN(C(=O)[C@H]2CC[C@H]([NH3+])CC2)[C@H](C[NH3+])C1 ZINC000870938873 584022307 /nfs/dbraw/zinc/02/23/07/584022307.db2.gz VQJYVTOIMHROAT-IJLUTSLNSA-N 3 2 254.378 -0.395 20 0 CBADLP C[N@H+]1CCN(C(=O)[C@H]2CC[C@H]([NH3+])CC2)[C@H](C[NH3+])C1 ZINC000870938873 584022309 /nfs/dbraw/zinc/02/23/09/584022309.db2.gz VQJYVTOIMHROAT-IJLUTSLNSA-N 3 2 254.378 -0.395 20 0 CBADLP O=C(NCC[NH+]1CCOCC1)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000871599878 584043302 /nfs/dbraw/zinc/04/33/02/584043302.db2.gz CYIWKWHUYOZVOH-TZMCWYRMSA-N 2 2 282.388 -0.098 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC(CNC(=O)C(F)(F)F)C1 ZINC000871991851 584047446 /nfs/dbraw/zinc/04/74/46/584047446.db2.gz MARGVZWTHMRWCX-SNVBAGLBSA-N 2 2 297.321 -0.091 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC(CNC(=O)C(F)(F)F)C1 ZINC000871991851 584047448 /nfs/dbraw/zinc/04/74/48/584047448.db2.gz MARGVZWTHMRWCX-SNVBAGLBSA-N 2 2 297.321 -0.091 20 0 CBADLP C[S@@](=N)(=O)N1CC[NH+](CCOCC[NH3+])CC1 ZINC000872146224 584047870 /nfs/dbraw/zinc/04/78/70/584047870.db2.gz IPLPDPNMYPFZLN-INIZCTEOSA-N 2 2 250.368 -0.829 20 0 CBADLP CCOCCNC(=O)C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872153261 584048097 /nfs/dbraw/zinc/04/80/97/584048097.db2.gz FWMWVZKJPGVGBP-WCQYABFASA-N 2 2 255.362 -0.320 20 0 CBADLP CCOCCNC(=O)C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872153261 584048099 /nfs/dbraw/zinc/04/80/99/584048099.db2.gz FWMWVZKJPGVGBP-WCQYABFASA-N 2 2 255.362 -0.320 20 0 CBADLP COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872152951 584048217 /nfs/dbraw/zinc/04/82/17/584048217.db2.gz XMDKXVJWSOKJCG-COPLHBTASA-N 2 2 298.387 -0.612 20 0 CBADLP COC[C@H](C)NC(=O)NC(=O)C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872152951 584048220 /nfs/dbraw/zinc/04/82/20/584048220.db2.gz XMDKXVJWSOKJCG-COPLHBTASA-N 2 2 298.387 -0.612 20 0 CBADLP CC(C)(O)C[C@@H](O)C[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000872214795 584050369 /nfs/dbraw/zinc/05/03/69/584050369.db2.gz FRPJALZNEXSCHN-CHWSQXEVSA-N 2 2 274.405 -0.055 20 0 CBADLP CC(C)(O)C[C@@H](O)C[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000872214795 584050371 /nfs/dbraw/zinc/05/03/71/584050371.db2.gz FRPJALZNEXSCHN-CHWSQXEVSA-N 2 2 274.405 -0.055 20 0 CBADLP CC(C)(O)C[C@@H](O)C[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000872214797 584050396 /nfs/dbraw/zinc/05/03/96/584050396.db2.gz FRPJALZNEXSCHN-QWHCGFSZSA-N 2 2 274.405 -0.055 20 0 CBADLP CC(C)(O)C[C@@H](O)C[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000872214797 584050398 /nfs/dbraw/zinc/05/03/98/584050398.db2.gz FRPJALZNEXSCHN-QWHCGFSZSA-N 2 2 274.405 -0.055 20 0 CBADLP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@H+](C[C@@]23C[C@@H]2C[NH2+]C3)C1 ZINC000872257872 584052316 /nfs/dbraw/zinc/05/23/16/584052316.db2.gz ZVWBETRAYPIICX-VVSAWPALSA-N 3 2 292.383 -0.537 20 0 CBADLP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@@H+](C[C@@]23C[C@@H]2C[NH2+]C3)C1 ZINC000872257872 584052318 /nfs/dbraw/zinc/05/23/18/584052318.db2.gz ZVWBETRAYPIICX-VVSAWPALSA-N 3 2 292.383 -0.537 20 0 CBADLP Cn1ccc(C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)n1 ZINC000872254354 584052432 /nfs/dbraw/zinc/05/24/32/584052432.db2.gz AOAQNYSNLHSIKS-UPJWGTAASA-N 2 2 291.355 -0.213 20 0 CBADLP Cn1ccc(C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)n1 ZINC000872254354 584052433 /nfs/dbraw/zinc/05/24/33/584052433.db2.gz AOAQNYSNLHSIKS-UPJWGTAASA-N 2 2 291.355 -0.213 20 0 CBADLP CN1CCN(C(=O)[C@@H](N)C[NH+](C)C)Cc2ccc[nH+]c21 ZINC000872314457 584055312 /nfs/dbraw/zinc/05/53/12/584055312.db2.gz DVHMEIGTAUPKRD-LBPRGKRZSA-N 2 2 277.372 -0.251 20 0 CBADLP CCO[C@@H]1C[N@H+](Cc2cnc(N)cn2)C[C@H]1C[NH3+] ZINC000873213519 584068891 /nfs/dbraw/zinc/06/88/91/584068891.db2.gz GJAAZSDKBNWSFM-MWLCHTKSSA-N 2 2 251.334 -0.146 20 0 CBADLP CCO[C@@H]1C[N@@H+](Cc2cnc(N)cn2)C[C@H]1C[NH3+] ZINC000873213519 584068893 /nfs/dbraw/zinc/06/88/93/584068893.db2.gz GJAAZSDKBNWSFM-MWLCHTKSSA-N 2 2 251.334 -0.146 20 0 CBADLP Cn1cc(C[NH2+][C@@]23CCC[C@H]2[NH2+]CC3)c(=O)n(C)c1=O ZINC000873230184 584068931 /nfs/dbraw/zinc/06/89/31/584068931.db2.gz NGHXTNNYAVSRLT-BXUZGUMPSA-N 2 2 278.356 -0.542 20 0 CBADLP C[C@@H]([NH2+]C[C@@]12COCCN1C(=O)COC2)[C@@H]1CCCC[NH2+]1 ZINC000873266848 584069740 /nfs/dbraw/zinc/06/97/40/584069740.db2.gz RINWLKQMUMQAJY-IPYPFGDCSA-N 2 2 297.399 -0.266 20 0 CBADLP C[C@@H]([NH2+]C[C@]12COCCN1C(=O)COC2)[C@@H]1CCCC[NH2+]1 ZINC000873266852 584069855 /nfs/dbraw/zinc/06/98/55/584069855.db2.gz RINWLKQMUMQAJY-VNHYZAJKSA-N 2 2 297.399 -0.266 20 0 CBADLP C[C@H]1C[NH2+]CCN1C(=O)/C=C/C[NH+]1CCOCC1 ZINC000876515172 584130566 /nfs/dbraw/zinc/13/05/66/584130566.db2.gz MEUICUAVPCIEKR-JDGPPOGSSA-N 2 2 253.346 -0.305 20 0 CBADLP O=C(/C=C/C[NH+]1CCOCC1)NCC[C@H]1CC[NH2+]C1 ZINC000876525809 584131326 /nfs/dbraw/zinc/13/13/26/584131326.db2.gz OEJSSXWTTOJRFE-ZIYVKSGCSA-N 2 2 267.373 -0.009 20 0 CBADLP CN(C(=O)/C=C\C[NH+]1CCOCC1)[C@H]1CC[NH2+]C1 ZINC000876527527 584131516 /nfs/dbraw/zinc/13/15/16/584131516.db2.gz ADZRIISGOQSRSM-DLGQBQFBSA-N 2 2 253.346 -0.305 20 0 CBADLP [NH3+]C[C@H](NC(=O)/C=C\C[NH+]1CCOCC1)C1CC1 ZINC000876537404 584132091 /nfs/dbraw/zinc/13/20/91/584132091.db2.gz QGRBFULCOWNIRH-BIOMNHJASA-N 2 2 253.346 -0.272 20 0 CBADLP CN1C(=O)CS/C1=C/C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000876542471 584132668 /nfs/dbraw/zinc/13/26/68/584132668.db2.gz PICQPMJAZVOAQR-NRIUJFNNSA-N 2 2 284.385 -0.866 20 0 CBADLP CN1C(=O)CS/C1=C/C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000876542471 584132669 /nfs/dbraw/zinc/13/26/69/584132669.db2.gz PICQPMJAZVOAQR-NRIUJFNNSA-N 2 2 284.385 -0.866 20 0 CBADLP C[N@@H+]1CCN(C(=O)Cn2ncc3cccnc32)[C@H](C[NH3+])C1 ZINC000876542872 584132708 /nfs/dbraw/zinc/13/27/08/584132708.db2.gz YHHQKIQRNAVWOU-GFCCVEGCSA-N 2 2 288.355 -0.467 20 0 CBADLP C[N@H+]1CCN(C(=O)Cn2ncc3cccnc32)[C@H](C[NH3+])C1 ZINC000876542872 584132711 /nfs/dbraw/zinc/13/27/11/584132711.db2.gz YHHQKIQRNAVWOU-GFCCVEGCSA-N 2 2 288.355 -0.467 20 0 CBADLP C[N@@H+]1CCN(C(=O)/C=C\[C@@H]2CCC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000876542754 584132820 /nfs/dbraw/zinc/13/28/20/584132820.db2.gz SREWDNNTXYHRNT-OEFFGFFESA-N 3 2 266.389 -0.357 20 0 CBADLP C[N@H+]1CCN(C(=O)/C=C\[C@@H]2CCC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000876542754 584132822 /nfs/dbraw/zinc/13/28/22/584132822.db2.gz SREWDNNTXYHRNT-OEFFGFFESA-N 3 2 266.389 -0.357 20 0 CBADLP CN(C)C(=O)C[NH+]1CCN(C(=O)CC[NH2+]CC2CC2)CC1 ZINC000876710259 584140598 /nfs/dbraw/zinc/14/05/98/584140598.db2.gz GFTRLQWKGZYVPI-UHFFFAOYSA-N 2 2 296.415 -0.392 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@@H](F)[C@@H]2CC[NH2+]C2)CC1 ZINC000876715705 584140600 /nfs/dbraw/zinc/14/06/00/584140600.db2.gz PRRPRFUPNUJIIK-NEPJUHHUSA-N 2 2 273.352 -0.275 20 0 CBADLP C[NH+](C)C[C@H](N)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000876719924 584140778 /nfs/dbraw/zinc/14/07/78/584140778.db2.gz AVZCPMYMPWCVDV-LBPRGKRZSA-N 2 2 288.355 -0.228 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@@H]2C[C@H]([NH3+])C2(C)C)CC1 ZINC000876723726 584141078 /nfs/dbraw/zinc/14/10/78/584141078.db2.gz GIJXIRDIQVEDFP-STQMWFEESA-N 2 2 296.415 -0.360 20 0 CBADLP COC[C@@]1(C(=O)NC[C@@H](C)Cn2cc[nH+]c2)C[NH2+]CCO1 ZINC000876731565 584141605 /nfs/dbraw/zinc/14/16/05/584141605.db2.gz SFBJOFNKWQIALN-TZMCWYRMSA-N 2 2 296.371 -0.360 20 0 CBADLP C[NH+](C)C[C@H](N)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000876745738 584142015 /nfs/dbraw/zinc/14/20/15/584142015.db2.gz GPGUTNQGTAOSAA-NSHDSACASA-N 2 2 272.393 -0.898 20 0 CBADLP C[NH+](C)C[C@H](N)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000876745738 584142017 /nfs/dbraw/zinc/14/20/17/584142017.db2.gz GPGUTNQGTAOSAA-NSHDSACASA-N 2 2 272.393 -0.898 20 0 CBADLP C[NH+](C)C[C@H](N)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000876767416 584143708 /nfs/dbraw/zinc/14/37/08/584143708.db2.gz ISSHAWNUKHKQTN-NSHDSACASA-N 2 2 261.329 -0.161 20 0 CBADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@H]2C[C@H]([NH3+])C2(C)C)CC1 ZINC000876774211 584143907 /nfs/dbraw/zinc/14/39/07/584143907.db2.gz OJAGHOBXZSJGCP-MNOVXSKESA-N 2 2 296.415 -0.232 20 0 CBADLP [NH3+]C[C@H]1CN(C(=O)/C=C/C[NH+]2CCOCC2)CCO1 ZINC000876807751 584147231 /nfs/dbraw/zinc/14/72/31/584147231.db2.gz JSWIRMZNNLOPJV-ISUDXETCSA-N 2 2 269.345 -0.939 20 0 CBADLP [NH3+]C[C@@H]1CN(C(=O)/C=C\C[NH+]2CCOCC2)CCO1 ZINC000876807752 584147235 /nfs/dbraw/zinc/14/72/35/584147235.db2.gz JSWIRMZNNLOPJV-UDSFMNFJSA-N 2 2 269.345 -0.939 20 0 CBADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000876811931 584147478 /nfs/dbraw/zinc/14/74/78/584147478.db2.gz ITQLRNNBDZQWKS-LLGAQUFESA-N 2 2 267.373 -0.011 20 0 CBADLP O=C([C@@H](F)[C@H]1CC[NH2+]C1)N1CC[NH+](CCO)CC1 ZINC000876846491 584149120 /nfs/dbraw/zinc/14/91/20/584149120.db2.gz BWDWXSUQHIDKPA-QWRGUYRKSA-N 2 2 259.325 -0.930 20 0 CBADLP O=C([C@H](F)[C@@H]1CC[NH2+]C1)N1CC[NH+](CCO)CC1 ZINC000876846489 584149123 /nfs/dbraw/zinc/14/91/23/584149123.db2.gz BWDWXSUQHIDKPA-GHMZBOCLSA-N 2 2 259.325 -0.930 20 0 CBADLP COC[C@]1(CNC(=O)/C=C\C[NH+]2CCOCC2)CCC[NH2+]1 ZINC000876849822 584149703 /nfs/dbraw/zinc/14/97/03/584149703.db2.gz ZIXHBEZDZTZXGV-NSRYLSIASA-N 2 2 297.399 -0.240 20 0 CBADLP O=C(/C=C/C[NH+]1CCOCC1)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000876856118 584150178 /nfs/dbraw/zinc/15/01/78/584150178.db2.gz IXFZVAXCVMLIIW-NLMOASMRSA-N 2 2 271.336 -0.309 20 0 CBADLP [NH3+]CC[C@H](NC(=O)/C=C/C[NH+]1CCOCC1)C(F)F ZINC000876864787 584150678 /nfs/dbraw/zinc/15/06/78/584150678.db2.gz VRKKHIKLZHURTC-YOLVWIGZSA-N 2 2 277.315 -0.027 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876877552 584152067 /nfs/dbraw/zinc/15/20/67/584152067.db2.gz DHJOIIBMWPJLIN-VXGBXAGGSA-N 2 2 273.352 -0.275 20 0 CBADLP COC[C@]1(C(=O)N(C)CCCn2cc[nH+]c2)C[NH2+]CCO1 ZINC000876895198 584153931 /nfs/dbraw/zinc/15/39/31/584153931.db2.gz WXTYJDHSDWQVDG-AWEZNQCLSA-N 2 2 296.371 -0.263 20 0 CBADLP C[C@H]1[C@@H]([NH3+])CCN1C(=O)/C=C\C[NH+]1CCOCC1 ZINC000876916502 584155134 /nfs/dbraw/zinc/15/51/34/584155134.db2.gz UHGCBYBWIJGMAU-KRURLVKSSA-N 2 2 253.346 -0.177 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)c2c(C[NH3+])cnn2C)[C@H](C)CO1 ZINC000876961203 584158565 /nfs/dbraw/zinc/15/85/65/584158565.db2.gz RVIUGHMFLCKPLF-GHMZBOCLSA-N 2 2 295.387 -0.282 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)c2c(C[NH3+])cnn2C)[C@H](C)CO1 ZINC000876961203 584158567 /nfs/dbraw/zinc/15/85/67/584158567.db2.gz RVIUGHMFLCKPLF-GHMZBOCLSA-N 2 2 295.387 -0.282 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)c2c(C[NH3+])cnn2C)[C@@H](C)CO1 ZINC000876961209 584158709 /nfs/dbraw/zinc/15/87/09/584158709.db2.gz RVIUGHMFLCKPLF-WDEREUQCSA-N 2 2 295.387 -0.282 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)c2c(C[NH3+])cnn2C)[C@@H](C)CO1 ZINC000876961209 584158711 /nfs/dbraw/zinc/15/87/11/584158711.db2.gz RVIUGHMFLCKPLF-WDEREUQCSA-N 2 2 295.387 -0.282 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876962048 584158717 /nfs/dbraw/zinc/15/87/17/584158717.db2.gz ZEJWXISCMSTLJZ-QWRGUYRKSA-N 3 2 292.374 -0.174 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876962048 584158719 /nfs/dbraw/zinc/15/87/19/584158719.db2.gz ZEJWXISCMSTLJZ-QWRGUYRKSA-N 3 2 292.374 -0.174 20 0 CBADLP CCn1cc[nH+]c1[C@H](C)NC(=O)[C@@H](N)C[NH+](C)C ZINC000876971920 584159119 /nfs/dbraw/zinc/15/91/19/584159119.db2.gz GRFVGCAHFJGYNA-UWVGGRQHSA-N 2 2 253.350 -0.031 20 0 CBADLP O=C(/C=C\C[NH+]1CCOCC1)NCC12CC(C1)C[NH2+]2 ZINC000876974910 584159238 /nfs/dbraw/zinc/15/92/38/584159238.db2.gz XPODQHGPAMZEMP-UPHRSURJSA-N 2 2 265.357 -0.257 20 0 CBADLP C[NH+](C)C[C@H](N)C(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000876974211 584159266 /nfs/dbraw/zinc/15/92/66/584159266.db2.gz ZPWRFMAJXBIPCG-AWEZNQCLSA-N 2 2 298.431 -0.554 20 0 CBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000876986686 584159878 /nfs/dbraw/zinc/15/98/78/584159878.db2.gz IYFZWBYQILNKJI-RWMBFGLXSA-N 2 2 299.415 -0.489 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877035221 584162947 /nfs/dbraw/zinc/16/29/47/584162947.db2.gz VNEVNXSNOZIIDA-BZPMIXESSA-N 2 2 267.373 -0.035 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877035221 584162949 /nfs/dbraw/zinc/16/29/49/584162949.db2.gz VNEVNXSNOZIIDA-BZPMIXESSA-N 2 2 267.373 -0.035 20 0 CBADLP O=C(NC[C@H]1COCC[NH2+]1)c1ccnc(-n2cc[nH+]c2)c1 ZINC000877038941 584163541 /nfs/dbraw/zinc/16/35/41/584163541.db2.gz BPXLFXYDSHMCMQ-LBPRGKRZSA-N 2 2 287.323 -0.015 20 0 CBADLP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)/C=C\C[NH+]1CCOCC1 ZINC000877173104 584169140 /nfs/dbraw/zinc/16/91/40/584169140.db2.gz YIMWBJHKRGWTOB-JDEDCZITSA-N 2 2 253.346 -0.177 20 0 CBADLP CNC(=O)NC[C@@H]1CCCCN1C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000877200905 584170369 /nfs/dbraw/zinc/17/03/69/584170369.db2.gz UQPXMYZEKLHDGY-RYUDHWBXSA-N 2 2 299.419 -0.425 20 0 CBADLP C[C@H](C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1)N1CC[NH2+]CC1=O ZINC000877249746 584172627 /nfs/dbraw/zinc/17/26/27/584172627.db2.gz LOHONXAFIAHLSU-UPJWGTAASA-N 2 2 294.399 -0.641 20 0 CBADLP C[C@H](C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1)N1CC[NH2+]CC1=O ZINC000877249746 584172629 /nfs/dbraw/zinc/17/26/29/584172629.db2.gz LOHONXAFIAHLSU-UPJWGTAASA-N 2 2 294.399 -0.641 20 0 CBADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000877435302 584181920 /nfs/dbraw/zinc/18/19/20/584181920.db2.gz ZUXABQWNPYHBON-YDHLFZDLSA-N 2 2 297.399 -0.551 20 0 CBADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000877435302 584181922 /nfs/dbraw/zinc/18/19/22/584181922.db2.gz ZUXABQWNPYHBON-YDHLFZDLSA-N 2 2 297.399 -0.551 20 0 CBADLP C[C@H](C(=O)N(C)CCCCCC[NH3+])N1CC[NH2+]CC1=O ZINC000877437177 584182057 /nfs/dbraw/zinc/18/20/57/584182057.db2.gz YGZPMRHZFVDHFE-GFCCVEGCSA-N 2 2 284.404 -0.216 20 0 CBADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CSC[NH2+]1 ZINC000877435142 584182064 /nfs/dbraw/zinc/18/20/64/584182064.db2.gz XSBDONMSSXJMSO-QWRGUYRKSA-N 2 2 273.402 -0.124 20 0 CBADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CSC[NH2+]1 ZINC000877435142 584182066 /nfs/dbraw/zinc/18/20/66/584182066.db2.gz XSBDONMSSXJMSO-QWRGUYRKSA-N 2 2 273.402 -0.124 20 0 CBADLP CNC(=O)[C@@H]1CCCC[N@@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000878034346 584190802 /nfs/dbraw/zinc/19/08/02/584190802.db2.gz DDBNQYUFQXSMAT-ZDUSSCGKSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)[C@@H]1CCCC[N@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000878034346 584190803 /nfs/dbraw/zinc/19/08/03/584190803.db2.gz DDBNQYUFQXSMAT-ZDUSSCGKSA-N 2 2 296.415 -0.203 20 0 CBADLP Cn1cc[nH+]c1N1CC[NH+](CCn2cnnn2)CC1 ZINC000878286508 584198327 /nfs/dbraw/zinc/19/83/27/584198327.db2.gz POJIHNOACIFQFR-UHFFFAOYSA-N 2 2 262.321 -0.771 20 0 CBADLP C[NH+]1CCC(NC(=O)C[N@@H+]2CCN3CCOC[C@@H]3C2)CC1 ZINC000878429916 584202506 /nfs/dbraw/zinc/20/25/06/584202506.db2.gz RGPPPCRYDLYJOD-AWEZNQCLSA-N 2 2 296.415 -0.787 20 0 CBADLP C[NH+]1CCC(NC(=O)C[N@H+]2CCN3CCOC[C@@H]3C2)CC1 ZINC000878429916 584202509 /nfs/dbraw/zinc/20/25/09/584202509.db2.gz RGPPPCRYDLYJOD-AWEZNQCLSA-N 2 2 296.415 -0.787 20 0 CBADLP CON1CC[NH+](CC(=O)NC2CC[NH+](C)CC2)CC1 ZINC000878686007 584213665 /nfs/dbraw/zinc/21/36/65/584213665.db2.gz ROQKPGBJCROSPM-UHFFFAOYSA-N 2 2 270.377 -0.624 20 0 CBADLP c1nnnn1CC[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000878965619 584221378 /nfs/dbraw/zinc/22/13/78/584221378.db2.gz RJDNBPLMLFIAIG-UHFFFAOYSA-N 2 2 266.349 -0.530 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC([C@H](F)C(N)=O)CC1 ZINC000879043157 584225113 /nfs/dbraw/zinc/22/51/13/584225113.db2.gz FSZZMDVCWUQWTI-RYUDHWBXSA-N 2 2 275.368 -0.166 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC([C@H](F)C(N)=O)CC1 ZINC000879043157 584225114 /nfs/dbraw/zinc/22/51/14/584225114.db2.gz FSZZMDVCWUQWTI-RYUDHWBXSA-N 2 2 275.368 -0.166 20 0 CBADLP CO[C@@H]1C[N@H+](C[C@@H](O)C[NH+]2CCCC2)[C@@](C)(CO)C1 ZINC000879259596 584230490 /nfs/dbraw/zinc/23/04/90/584230490.db2.gz OVTLCNJQPPQCCU-MELADBBJSA-N 2 2 272.389 -0.085 20 0 CBADLP CO[C@@H]1C[N@@H+](C[C@@H](O)C[NH+]2CCCC2)[C@@](C)(CO)C1 ZINC000879259596 584230491 /nfs/dbraw/zinc/23/04/91/584230491.db2.gz OVTLCNJQPPQCCU-MELADBBJSA-N 2 2 272.389 -0.085 20 0 CBADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H](O)c1ccccn1 ZINC000879355638 584233046 /nfs/dbraw/zinc/23/30/46/584233046.db2.gz HWJTZVCAHNHKBL-AWEZNQCLSA-N 2 2 292.383 -0.179 20 0 CBADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H](O)c1ccccn1 ZINC000879355638 584233048 /nfs/dbraw/zinc/23/30/48/584233048.db2.gz HWJTZVCAHNHKBL-AWEZNQCLSA-N 2 2 292.383 -0.179 20 0 CBADLP COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H](C)[NH+](C)C ZINC000879549229 584240371 /nfs/dbraw/zinc/24/03/71/584240371.db2.gz PMSMLVUWLFKPLG-NXEZZACHSA-N 2 2 268.317 -0.509 20 0 CBADLP CNS(=O)(=O)CCC[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879573842 584241085 /nfs/dbraw/zinc/24/10/85/584241085.db2.gz SLSLPVAAKUSGGT-NWDGAFQWSA-N 2 2 275.418 -0.048 20 0 CBADLP CNS(=O)(=O)CCC[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879573842 584241086 /nfs/dbraw/zinc/24/10/86/584241086.db2.gz SLSLPVAAKUSGGT-NWDGAFQWSA-N 2 2 275.418 -0.048 20 0 CBADLP CNS(=O)(=O)CCC[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879573842 584241088 /nfs/dbraw/zinc/24/10/88/584241088.db2.gz SLSLPVAAKUSGGT-NWDGAFQWSA-N 2 2 275.418 -0.048 20 0 CBADLP CNS(=O)(=O)CCC[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879573842 584241089 /nfs/dbraw/zinc/24/10/89/584241089.db2.gz SLSLPVAAKUSGGT-NWDGAFQWSA-N 2 2 275.418 -0.048 20 0 CBADLP Cn1c(C[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)cc(=O)n(C)c1=O ZINC000879571131 584241163 /nfs/dbraw/zinc/24/11/63/584241163.db2.gz ICQKSGLQZCXBOS-AAEUAGOBSA-N 2 2 292.383 -0.390 20 0 CBADLP Cn1c(C[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)cc(=O)n(C)c1=O ZINC000879571131 584241166 /nfs/dbraw/zinc/24/11/66/584241166.db2.gz ICQKSGLQZCXBOS-AAEUAGOBSA-N 2 2 292.383 -0.390 20 0 CBADLP Cn1c(C[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)cc(=O)n(C)c1=O ZINC000879571131 584241169 /nfs/dbraw/zinc/24/11/69/584241169.db2.gz ICQKSGLQZCXBOS-AAEUAGOBSA-N 2 2 292.383 -0.390 20 0 CBADLP Cn1c(C[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)cc(=O)n(C)c1=O ZINC000879571131 584241170 /nfs/dbraw/zinc/24/11/70/584241170.db2.gz ICQKSGLQZCXBOS-AAEUAGOBSA-N 2 2 292.383 -0.390 20 0 CBADLP C[N@@H+]1CC[C@@H]2C[NH+](CCNS(C)(=O)=O)CC[C@H]21 ZINC000879573485 584241386 /nfs/dbraw/zinc/24/13/86/584241386.db2.gz OUCGMNHSGPPEDE-GHMZBOCLSA-N 2 2 261.391 -0.438 20 0 CBADLP C[N@H+]1CC[C@@H]2C[NH+](CCNS(C)(=O)=O)CC[C@H]21 ZINC000879573485 584241388 /nfs/dbraw/zinc/24/13/88/584241388.db2.gz OUCGMNHSGPPEDE-GHMZBOCLSA-N 2 2 261.391 -0.438 20 0 CBADLP C[NH+]1CC[C@@H]2C[N@H+](CCNS(C)(=O)=O)CC[C@H]21 ZINC000879573485 584241390 /nfs/dbraw/zinc/24/13/90/584241390.db2.gz OUCGMNHSGPPEDE-GHMZBOCLSA-N 2 2 261.391 -0.438 20 0 CBADLP C[NH+]1CC[C@@H]2C[N@@H+](CCNS(C)(=O)=O)CC[C@H]21 ZINC000879573485 584241391 /nfs/dbraw/zinc/24/13/91/584241391.db2.gz OUCGMNHSGPPEDE-GHMZBOCLSA-N 2 2 261.391 -0.438 20 0 CBADLP CNS(=O)(=O)CC[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879579927 584241674 /nfs/dbraw/zinc/24/16/74/584241674.db2.gz QJVHNBOXWHJJTN-WDEREUQCSA-N 2 2 261.391 -0.438 20 0 CBADLP CNS(=O)(=O)CC[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879579927 584241675 /nfs/dbraw/zinc/24/16/75/584241675.db2.gz QJVHNBOXWHJJTN-WDEREUQCSA-N 2 2 261.391 -0.438 20 0 CBADLP CNS(=O)(=O)CC[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879579927 584241676 /nfs/dbraw/zinc/24/16/76/584241676.db2.gz QJVHNBOXWHJJTN-WDEREUQCSA-N 2 2 261.391 -0.438 20 0 CBADLP CNS(=O)(=O)CC[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879579927 584241677 /nfs/dbraw/zinc/24/16/77/584241677.db2.gz QJVHNBOXWHJJTN-WDEREUQCSA-N 2 2 261.391 -0.438 20 0 CBADLP CCNC(=O)C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879591452 584242301 /nfs/dbraw/zinc/24/23/01/584242301.db2.gz XABPGRAKRVWFFK-UHFFFAOYSA-N 2 2 268.405 -0.166 20 0 CBADLP O=C1NCCO[C@H]2CCC[N@H+](CCn3cc[nH+]c3)[C@@H]12 ZINC000879722014 584247230 /nfs/dbraw/zinc/24/72/30/584247230.db2.gz QKERTFCWXLXCII-NWDGAFQWSA-N 2 2 264.329 -0.138 20 0 CBADLP O=C1NCCO[C@H]2CCC[N@@H+](CCn3cc[nH+]c3)[C@@H]12 ZINC000879722014 584247233 /nfs/dbraw/zinc/24/72/33/584247233.db2.gz QKERTFCWXLXCII-NWDGAFQWSA-N 2 2 264.329 -0.138 20 0 CBADLP CONC(=O)C1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000879926502 584254334 /nfs/dbraw/zinc/25/43/34/584254334.db2.gz UKGBZWITWOSOFV-ZDUSSCGKSA-N 2 2 285.388 -0.169 20 0 CBADLP CONC(=O)C1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000879926502 584254336 /nfs/dbraw/zinc/25/43/36/584254336.db2.gz UKGBZWITWOSOFV-ZDUSSCGKSA-N 2 2 285.388 -0.169 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(CO)(CO)CC1 ZINC000879971484 584257189 /nfs/dbraw/zinc/25/71/89/584257189.db2.gz WPLVBHLNLPBJHU-LBPRGKRZSA-N 2 2 260.378 -0.634 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(CO)(CO)CC1 ZINC000879971484 584257190 /nfs/dbraw/zinc/25/71/90/584257190.db2.gz WPLVBHLNLPBJHU-LBPRGKRZSA-N 2 2 260.378 -0.634 20 0 CBADLP Cn1c[nH+]cc1CCC[N@H+](C)CCS(N)(=O)=O ZINC000880085316 584262552 /nfs/dbraw/zinc/26/25/52/584262552.db2.gz IWUUGOFBNZJKAD-UHFFFAOYSA-N 2 2 260.363 -0.427 20 0 CBADLP Cn1c[nH+]cc1CCC[N@@H+](C)CCS(N)(=O)=O ZINC000880085316 584262553 /nfs/dbraw/zinc/26/25/53/584262553.db2.gz IWUUGOFBNZJKAD-UHFFFAOYSA-N 2 2 260.363 -0.427 20 0 CBADLP NC(=O)NC(=O)CC[N@@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880209356 584267326 /nfs/dbraw/zinc/26/73/26/584267326.db2.gz SQSWDEIDFXKKOS-GFCCVEGCSA-N 2 2 298.387 -0.196 20 0 CBADLP NC(=O)NC(=O)CC[N@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880209356 584267327 /nfs/dbraw/zinc/26/73/27/584267327.db2.gz SQSWDEIDFXKKOS-GFCCVEGCSA-N 2 2 298.387 -0.196 20 0 CBADLP C[C@H]1C[N@H+](CC(=O)NC(N)=O)CCN1c1cc[nH+]cc1 ZINC000880261441 584267995 /nfs/dbraw/zinc/26/79/95/584267995.db2.gz JNVJDPJCKWSBRD-JTQLQIEISA-N 2 2 277.328 -0.213 20 0 CBADLP C[C@H]1C[N@@H+](CC(=O)NC(N)=O)CCN1c1cc[nH+]cc1 ZINC000880261441 584267997 /nfs/dbraw/zinc/26/79/97/584267997.db2.gz JNVJDPJCKWSBRD-JTQLQIEISA-N 2 2 277.328 -0.213 20 0 CBADLP C[C@H]1C[N@H+](CCS(N)(=O)=O)CCN1c1cc[nH+]cc1 ZINC000880263354 584268016 /nfs/dbraw/zinc/26/80/16/584268016.db2.gz WXFLYAVNUUHCMU-NSHDSACASA-N 2 2 284.385 -0.119 20 0 CBADLP C[C@H]1C[N@@H+](CCS(N)(=O)=O)CCN1c1cc[nH+]cc1 ZINC000880263354 584268017 /nfs/dbraw/zinc/26/80/17/584268017.db2.gz WXFLYAVNUUHCMU-NSHDSACASA-N 2 2 284.385 -0.119 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CCOC[C@H]1OC ZINC000880436716 584273977 /nfs/dbraw/zinc/27/39/77/584273977.db2.gz AFBOPOSHDXVERF-BFHYXJOUSA-N 2 2 290.404 -0.339 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CCOC[C@H]1OC ZINC000880436716 584273978 /nfs/dbraw/zinc/27/39/78/584273978.db2.gz AFBOPOSHDXVERF-BFHYXJOUSA-N 2 2 290.404 -0.339 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)[C@@H]1CCOC[C@H]1OC ZINC000880436716 584273979 /nfs/dbraw/zinc/27/39/79/584273979.db2.gz AFBOPOSHDXVERF-BFHYXJOUSA-N 2 2 290.404 -0.339 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H]1CCOC[C@H]1OC ZINC000880436716 584273980 /nfs/dbraw/zinc/27/39/80/584273980.db2.gz AFBOPOSHDXVERF-BFHYXJOUSA-N 2 2 290.404 -0.339 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CCOC[C@@H]1OC ZINC000880436719 584274134 /nfs/dbraw/zinc/27/41/34/584274134.db2.gz AFBOPOSHDXVERF-MJBXVCDLSA-N 2 2 290.404 -0.339 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CCOC[C@@H]1OC ZINC000880436719 584274137 /nfs/dbraw/zinc/27/41/37/584274137.db2.gz AFBOPOSHDXVERF-MJBXVCDLSA-N 2 2 290.404 -0.339 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)[C@@H]1CCOC[C@@H]1OC ZINC000880436719 584274139 /nfs/dbraw/zinc/27/41/39/584274139.db2.gz AFBOPOSHDXVERF-MJBXVCDLSA-N 2 2 290.404 -0.339 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H]1CCOC[C@@H]1OC ZINC000880436719 584274141 /nfs/dbraw/zinc/27/41/41/584274141.db2.gz AFBOPOSHDXVERF-MJBXVCDLSA-N 2 2 290.404 -0.339 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]2CCNC(=O)[C@H]21 ZINC000880524170 584276941 /nfs/dbraw/zinc/27/69/41/584276941.db2.gz QGQDLJYVFOEWOP-RDBSUJKOSA-N 2 2 299.415 -0.474 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]2CCNC(=O)[C@H]21 ZINC000880524170 584276942 /nfs/dbraw/zinc/27/69/42/584276942.db2.gz QGQDLJYVFOEWOP-RDBSUJKOSA-N 2 2 299.415 -0.474 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]2CCNC(=O)[C@H]21 ZINC000880524170 584276943 /nfs/dbraw/zinc/27/69/43/584276943.db2.gz QGQDLJYVFOEWOP-RDBSUJKOSA-N 2 2 299.415 -0.474 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]2CCNC(=O)[C@H]21 ZINC000880524170 584276944 /nfs/dbraw/zinc/27/69/44/584276944.db2.gz QGQDLJYVFOEWOP-RDBSUJKOSA-N 2 2 299.415 -0.474 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]2CCNC(=O)[C@@H]21 ZINC000880523612 584276989 /nfs/dbraw/zinc/27/69/89/584276989.db2.gz JFLXBGLEHVNUSY-FRRDWIJNSA-N 2 2 269.389 -0.101 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]2CCNC(=O)[C@@H]21 ZINC000880523612 584276990 /nfs/dbraw/zinc/27/69/90/584276990.db2.gz JFLXBGLEHVNUSY-FRRDWIJNSA-N 2 2 269.389 -0.101 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]2CCNC(=O)[C@@H]21 ZINC000880523612 584276991 /nfs/dbraw/zinc/27/69/91/584276991.db2.gz JFLXBGLEHVNUSY-FRRDWIJNSA-N 2 2 269.389 -0.101 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]2CCNC(=O)[C@@H]21 ZINC000880523612 584276992 /nfs/dbraw/zinc/27/69/92/584276992.db2.gz JFLXBGLEHVNUSY-FRRDWIJNSA-N 2 2 269.389 -0.101 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C[C@@H]1CCNC1=O ZINC000880671484 584285869 /nfs/dbraw/zinc/28/58/69/584285869.db2.gz SXNOYYQBWKTQFE-LBPRGKRZSA-N 2 2 284.404 -0.488 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C[C@@H]1CCNC1=O ZINC000880671484 584285870 /nfs/dbraw/zinc/28/58/70/584285870.db2.gz SXNOYYQBWKTQFE-LBPRGKRZSA-N 2 2 284.404 -0.488 20 0 CBADLP C[C@@H]([NH2+]CC[N@H+](C)CCOCCO)[C@@H]1CCOC1 ZINC000883349715 584340340 /nfs/dbraw/zinc/34/03/40/584340340.db2.gz KQONPOVTYKIWLT-CHWSQXEVSA-N 2 2 260.378 -0.058 20 0 CBADLP C[C@@H]([NH2+]CC[N@@H+](C)CCOCCO)[C@@H]1CCOC1 ZINC000883349715 584340342 /nfs/dbraw/zinc/34/03/42/584340342.db2.gz KQONPOVTYKIWLT-CHWSQXEVSA-N 2 2 260.378 -0.058 20 0 CBADLP COCC[NH2+]C1CC[NH+](CCn2cnnn2)CC1 ZINC000883434026 584342271 /nfs/dbraw/zinc/34/22/71/584342271.db2.gz FBVWAERPQQSMQT-UHFFFAOYSA-N 2 2 254.338 -0.627 20 0 CBADLP NC(=O)C1([NH+]2CCCCC2)CC[NH+](CCOCC[NH3+])CC1 ZINC000883447809 584342926 /nfs/dbraw/zinc/34/29/26/584342926.db2.gz LZNLMHUKEWBSQG-UHFFFAOYSA-N 3 2 298.431 -0.233 20 0 CBADLP C[NH2+]C[C@H]1CCCC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000883449723 584343039 /nfs/dbraw/zinc/34/30/39/584343039.db2.gz HREDUNQQTOUKNN-CYBMUJFWSA-N 3 2 268.405 -0.118 20 0 CBADLP C[NH2+]C[C@H]1CCCC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000883449723 584343040 /nfs/dbraw/zinc/34/30/40/584343040.db2.gz HREDUNQQTOUKNN-CYBMUJFWSA-N 3 2 268.405 -0.118 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@@H]([NH3+])CC2CC2)CC1 ZINC000884182428 584364428 /nfs/dbraw/zinc/36/44/28/584364428.db2.gz IQNUYMPICQKKFJ-LBPRGKRZSA-N 2 2 255.362 -0.096 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@H]([NH3+])CC2CC2)CC1 ZINC000884182427 584364520 /nfs/dbraw/zinc/36/45/20/584364520.db2.gz IQNUYMPICQKKFJ-GFCCVEGCSA-N 2 2 255.362 -0.096 20 0 CBADLP CO[C@@H](C[NH3+])C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000884213358 584367582 /nfs/dbraw/zinc/36/75/82/584367582.db2.gz ZGHJQYKAVCBRKQ-DCAQKATOSA-N 2 2 259.350 -0.815 20 0 CBADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@@H]([NH3+])CC2CC2)CC1 ZINC000884228263 584368832 /nfs/dbraw/zinc/36/88/32/584368832.db2.gz MEJWUDTYFMAXGU-NSHDSACASA-N 2 2 282.388 -0.478 20 0 CBADLP CO[C@@H](C[NH3+])C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000884316752 584373968 /nfs/dbraw/zinc/37/39/68/584373968.db2.gz CKFQHLMWTNGNTJ-MNOVXSKESA-N 2 2 264.329 -0.250 20 0 CBADLP CO[C@@H](C[NH3+])C(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000884401567 584379112 /nfs/dbraw/zinc/37/91/12/584379112.db2.gz UOGWTXKUPATRQJ-DCAQKATOSA-N 2 2 259.350 -0.815 20 0 CBADLP CO[C@@H](C[NH3+])C(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000884401567 584379113 /nfs/dbraw/zinc/37/91/13/584379113.db2.gz UOGWTXKUPATRQJ-DCAQKATOSA-N 2 2 259.350 -0.815 20 0 CBADLP CO[C@@H](C[NH3+])C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000884401566 584379147 /nfs/dbraw/zinc/37/91/47/584379147.db2.gz UOGWTXKUPATRQJ-AXFHLTTASA-N 2 2 259.350 -0.815 20 0 CBADLP CO[C@@H](C[NH3+])C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000884401566 584379149 /nfs/dbraw/zinc/37/91/49/584379149.db2.gz UOGWTXKUPATRQJ-AXFHLTTASA-N 2 2 259.350 -0.815 20 0 CBADLP C[C@@H]1CN(C(=O)C(=O)NCc2[nH+]ccn2C)C[C@H]1C[NH3+] ZINC000884629261 584391905 /nfs/dbraw/zinc/39/19/05/584391905.db2.gz FUDIHXTXRANEDZ-NXEZZACHSA-N 2 2 279.344 -0.911 20 0 CBADLP Cn1cc[nH+]c1CNC(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000884629425 584391983 /nfs/dbraw/zinc/39/19/83/584391983.db2.gz MMWCXOPCKZFYQJ-MNOVXSKESA-N 2 2 291.355 -0.611 20 0 CBADLP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)C(=O)NC1C[NH2+]C1 ZINC000884692976 584397946 /nfs/dbraw/zinc/39/79/46/584397946.db2.gz GSEFJVNCMDOMBS-ZDUSSCGKSA-N 2 2 288.351 -0.623 20 0 CBADLP C[C@H](C[NH3+])NC(=O)C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000884704856 584399219 /nfs/dbraw/zinc/39/92/19/584399219.db2.gz WDZNPFXGBHBWSH-MFKMUULPSA-N 2 2 290.367 -0.247 20 0 CBADLP C[C@H](C[NH3+])NC(=O)C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000884704856 584399220 /nfs/dbraw/zinc/39/92/20/584399220.db2.gz WDZNPFXGBHBWSH-MFKMUULPSA-N 2 2 290.367 -0.247 20 0 CBADLP C[C@@H](O)CNc1cc(NCC[N@H+](C)CCO)nc[nH+]1 ZINC000884824793 584404223 /nfs/dbraw/zinc/40/42/23/584404223.db2.gz NVMOYGJYFLWLSI-SNVBAGLBSA-N 2 2 269.349 -0.395 20 0 CBADLP C[C@@H](O)CNc1cc(NCC[N@@H+](C)CCO)nc[nH+]1 ZINC000884824793 584404225 /nfs/dbraw/zinc/40/42/25/584404225.db2.gz NVMOYGJYFLWLSI-SNVBAGLBSA-N 2 2 269.349 -0.395 20 0 CBADLP CC(C)([NH3+])CCNC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000885195301 584409706 /nfs/dbraw/zinc/40/97/06/584409706.db2.gz KJBPTTMTADEGOH-UHFFFAOYSA-N 2 2 282.388 -0.463 20 0 CBADLP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CCS(N)(=O)=O ZINC000887133144 584463750 /nfs/dbraw/zinc/46/37/50/584463750.db2.gz VCWHETFVXICXPS-LLVKDONJSA-N 2 2 284.385 -0.119 20 0 CBADLP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CCS(N)(=O)=O ZINC000887133144 584463752 /nfs/dbraw/zinc/46/37/52/584463752.db2.gz VCWHETFVXICXPS-LLVKDONJSA-N 2 2 284.385 -0.119 20 0 CBADLP OCC[NH+](CCO)Cc1cn(CC[NH+]2CCCC2)nn1 ZINC000887425132 584467565 /nfs/dbraw/zinc/46/75/65/584467565.db2.gz OPLWKLYIBFHJAJ-UHFFFAOYSA-N 2 2 283.376 -0.840 20 0 CBADLP CN1CCN(C(=O)Cc2c[nH+]c[nH]2)CC[N@H+](C)CC1 ZINC000888979317 584509945 /nfs/dbraw/zinc/50/99/45/584509945.db2.gz OKZVBHCNCGCYMF-UHFFFAOYSA-N 2 2 265.361 -0.342 20 0 CBADLP CN1CCN(C(=O)Cc2c[nH+]c[nH]2)CC[N@@H+](C)CC1 ZINC000888979317 584509946 /nfs/dbraw/zinc/50/99/46/584509946.db2.gz OKZVBHCNCGCYMF-UHFFFAOYSA-N 2 2 265.361 -0.342 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC000888982058 584510723 /nfs/dbraw/zinc/51/07/23/584510723.db2.gz CVSQCSWTUHHNEW-UHFFFAOYSA-N 2 2 279.388 -0.103 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC000888982058 584510724 /nfs/dbraw/zinc/51/07/24/584510724.db2.gz CVSQCSWTUHHNEW-UHFFFAOYSA-N 2 2 279.388 -0.103 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)NCc2cn(C)c[nH+]2)C1 ZINC000890109987 584543927 /nfs/dbraw/zinc/54/39/27/584543927.db2.gz IPAMWSJIQKZYSQ-LLVKDONJSA-N 2 2 252.318 -0.243 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)NCc2cn(C)c[nH+]2)C1 ZINC000890109987 584543930 /nfs/dbraw/zinc/54/39/30/584543930.db2.gz IPAMWSJIQKZYSQ-LLVKDONJSA-N 2 2 252.318 -0.243 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891349036 584579673 /nfs/dbraw/zinc/57/96/73/584579673.db2.gz GFQWKBOAKYLSHR-RWMBFGLXSA-N 2 2 282.388 -0.147 20 0 CBADLP CN1CC[N@H+](C)[C@H](CNC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000891539465 584584833 /nfs/dbraw/zinc/58/48/33/584584833.db2.gz BBCJKILVYSKGBY-YNEHKIRRSA-N 2 2 283.420 -0.199 20 0 CBADLP CN1CC[N@@H+](C)[C@H](CNC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000891539465 584584835 /nfs/dbraw/zinc/58/48/35/584584835.db2.gz BBCJKILVYSKGBY-YNEHKIRRSA-N 2 2 283.420 -0.199 20 0 CBADLP CN(C)C(=O)C[NH+]1CCN(c2cc[nH+]cc2CO)CC1 ZINC000891553655 584585374 /nfs/dbraw/zinc/58/53/74/584585374.db2.gz WBEWWMPODILEIG-UHFFFAOYSA-N 2 2 278.356 -0.216 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000892287557 584612378 /nfs/dbraw/zinc/61/23/78/584612378.db2.gz PIDLNAGZLKYUER-SGMGOOAPSA-N 2 2 282.388 -0.099 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000892287557 584612381 /nfs/dbraw/zinc/61/23/81/584612381.db2.gz PIDLNAGZLKYUER-SGMGOOAPSA-N 2 2 282.388 -0.099 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892287579 584612454 /nfs/dbraw/zinc/61/24/54/584612454.db2.gz PWGVXSGZKQLIKX-AXFHLTTASA-N 2 2 256.350 -0.647 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892287579 584612456 /nfs/dbraw/zinc/61/24/56/584612456.db2.gz PWGVXSGZKQLIKX-AXFHLTTASA-N 2 2 256.350 -0.647 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892287580 584612487 /nfs/dbraw/zinc/61/24/87/584612487.db2.gz PWGVXSGZKQLIKX-DCAQKATOSA-N 2 2 256.350 -0.647 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892287580 584612488 /nfs/dbraw/zinc/61/24/88/584612488.db2.gz PWGVXSGZKQLIKX-DCAQKATOSA-N 2 2 256.350 -0.647 20 0 CBADLP C[N@@H+]1CCN(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)[C@@H](C[NH3+])C1 ZINC000892549551 584618387 /nfs/dbraw/zinc/61/83/87/584618387.db2.gz WHMOZHWTAJZKDB-AXFHLTTASA-N 3 2 255.366 -0.992 20 0 CBADLP C[N@H+]1CCN(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)[C@@H](C[NH3+])C1 ZINC000892549551 584618388 /nfs/dbraw/zinc/61/83/88/584618388.db2.gz WHMOZHWTAJZKDB-AXFHLTTASA-N 3 2 255.366 -0.992 20 0 CBADLP C[N@@H+]1CCN(C(=O)NCCC(C)(C)[NH3+])[C@H](C[NH3+])C1 ZINC000892852029 584628543 /nfs/dbraw/zinc/62/85/43/584628543.db2.gz YQSZHMNWLZWMHP-SNVBAGLBSA-N 3 2 257.382 -0.602 20 0 CBADLP C[N@H+]1CCN(C(=O)NCCC(C)(C)[NH3+])[C@H](C[NH3+])C1 ZINC000892852029 584628544 /nfs/dbraw/zinc/62/85/44/584628544.db2.gz YQSZHMNWLZWMHP-SNVBAGLBSA-N 3 2 257.382 -0.602 20 0 CBADLP C[C@H](NC(=O)NCc1cn(C)c[nH+]1)[C@H]1C[N@H+](C)CCO1 ZINC000893761837 584644942 /nfs/dbraw/zinc/64/49/42/584644942.db2.gz FEDQEXYPLUTXCD-CMPLNLGQSA-N 2 2 281.360 -0.062 20 0 CBADLP C[C@H](NC(=O)NCc1cn(C)c[nH+]1)[C@H]1C[N@@H+](C)CCO1 ZINC000893761837 584644943 /nfs/dbraw/zinc/64/49/43/584644943.db2.gz FEDQEXYPLUTXCD-CMPLNLGQSA-N 2 2 281.360 -0.062 20 0 CBADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCOCCN2)CC1 ZINC000893866289 584648165 /nfs/dbraw/zinc/64/81/65/584648165.db2.gz KHZRDDYDOYLTEJ-UHFFFAOYSA-N 2 2 299.419 -0.441 20 0 CBADLP Cc1cc(N)nc(N2CC[N@@H+](CCO)C[C@H]2C)[nH+]1 ZINC000894133263 584651958 /nfs/dbraw/zinc/65/19/58/584651958.db2.gz DQTLZIHKBXYQBJ-SNVBAGLBSA-N 2 2 251.334 -0.130 20 0 CBADLP Cc1cc(N)nc(N2CC[N@H+](CCO)C[C@H]2C)[nH+]1 ZINC000894133263 584651959 /nfs/dbraw/zinc/65/19/59/584651959.db2.gz DQTLZIHKBXYQBJ-SNVBAGLBSA-N 2 2 251.334 -0.130 20 0 CBADLP COC(=O)[C@@H]1[C@@H](C[NH2+]C[C@H]2C[N@H+](C)CCN2C)C1(F)F ZINC000894255762 584654565 /nfs/dbraw/zinc/65/45/65/584654565.db2.gz INZRNJJPLTVVOP-AXFHLTTASA-N 2 2 291.342 -0.124 20 0 CBADLP COC(=O)[C@@H]1[C@@H](C[NH2+]C[C@H]2C[N@@H+](C)CCN2C)C1(F)F ZINC000894255762 584654566 /nfs/dbraw/zinc/65/45/66/584654566.db2.gz INZRNJJPLTVVOP-AXFHLTTASA-N 2 2 291.342 -0.124 20 0 CBADLP CC[N@H+](CCO)CC[NH2+]C[C@H]1[C@@H](C(=O)OC)C1(F)F ZINC000894478230 584658725 /nfs/dbraw/zinc/65/87/25/584658725.db2.gz VMALJDKHJFOPEB-UWVGGRQHSA-N 2 2 280.315 -0.056 20 0 CBADLP CC[N@@H+](CCO)CC[NH2+]C[C@H]1[C@@H](C(=O)OC)C1(F)F ZINC000894478230 584658726 /nfs/dbraw/zinc/65/87/26/584658726.db2.gz VMALJDKHJFOPEB-UWVGGRQHSA-N 2 2 280.315 -0.056 20 0 CBADLP O=C1COC[C@]2(C[NH2+]Cc3c[nH+]c[nH]3)COCCN12 ZINC000895457038 584679432 /nfs/dbraw/zinc/67/94/32/584679432.db2.gz CRFFBYHSRSXRRW-LBPRGKRZSA-N 2 2 266.301 -0.873 20 0 CBADLP O=C(NCC[NH+]1CCOCC1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000895482169 584680259 /nfs/dbraw/zinc/68/02/59/584680259.db2.gz XNEOLGYEUGQGOZ-ZDUSSCGKSA-N 2 2 283.372 -0.845 20 0 CBADLP CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC000895554636 584681570 /nfs/dbraw/zinc/68/15/70/584681570.db2.gz VQYIKHFWLLVRPZ-GFCCVEGCSA-N 2 2 296.415 -0.075 20 0 CBADLP CC(C)(C)[N@H+]1CC[C@@H]1C(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC000895554636 584681571 /nfs/dbraw/zinc/68/15/71/584681571.db2.gz VQYIKHFWLLVRPZ-GFCCVEGCSA-N 2 2 296.415 -0.075 20 0 CBADLP C[NH+]1CCN(c2ncc(C[N@@H+]3C[C@H]4C[C@@]4(O)C3)cn2)CC1 ZINC000895645840 584683550 /nfs/dbraw/zinc/68/35/50/584683550.db2.gz DKBVSAFXUTVMMX-UKRRQHHQSA-N 2 2 289.383 -0.205 20 0 CBADLP C[NH+]1CCN(c2ncc(C[N@H+]3C[C@H]4C[C@@]4(O)C3)cn2)CC1 ZINC000895645840 584683553 /nfs/dbraw/zinc/68/35/53/584683553.db2.gz DKBVSAFXUTVMMX-UKRRQHHQSA-N 2 2 289.383 -0.205 20 0 CBADLP C[N@H+](CC[NH2+][C@H]1CCCNC(=O)C1)CCOCCO ZINC000895661448 584683922 /nfs/dbraw/zinc/68/39/22/584683922.db2.gz HLLROEQIGPXSAB-LBPRGKRZSA-N 2 2 273.377 -0.815 20 0 CBADLP C[N@@H+](CC[NH2+][C@H]1CCCNC(=O)C1)CCOCCO ZINC000895661448 584683924 /nfs/dbraw/zinc/68/39/24/584683924.db2.gz HLLROEQIGPXSAB-LBPRGKRZSA-N 2 2 273.377 -0.815 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000896102085 584692091 /nfs/dbraw/zinc/69/20/91/584692091.db2.gz IMKRWRNIWWLSSD-AWEZNQCLSA-N 2 2 297.399 -0.502 20 0 CBADLP O=C(C1C[NH+]([C@H]2CCOC2)C1)N1CC(n2cc[nH+]c2)C1 ZINC000896359034 584696996 /nfs/dbraw/zinc/69/69/96/584696996.db2.gz ZKVNTXJFCFYERG-LBPRGKRZSA-N 2 2 276.340 -0.013 20 0 CBADLP C[C@H](NC(=O)[C@H]1C[N@H+](C)CCO1)[C@@H]1C[NH+](C)CCN1C ZINC000896558112 584702131 /nfs/dbraw/zinc/70/21/31/584702131.db2.gz YBAOEIYJCJUTMM-RWMBFGLXSA-N 2 2 284.404 -0.933 20 0 CBADLP C[C@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)[C@@H]1C[NH+](C)CCN1C ZINC000896558112 584702133 /nfs/dbraw/zinc/70/21/33/584702133.db2.gz YBAOEIYJCJUTMM-RWMBFGLXSA-N 2 2 284.404 -0.933 20 0 CBADLP C[C@H](NC(=O)[C@H]1C[NH+](C)CCO1)[C@@H]1C[N@H+](C)CCN1C ZINC000896558112 584702135 /nfs/dbraw/zinc/70/21/35/584702135.db2.gz YBAOEIYJCJUTMM-RWMBFGLXSA-N 2 2 284.404 -0.933 20 0 CBADLP C[C@H](NC(=O)[C@H]1C[NH+](C)CCO1)[C@@H]1C[N@@H+](C)CCN1C ZINC000896558112 584702136 /nfs/dbraw/zinc/70/21/36/584702136.db2.gz YBAOEIYJCJUTMM-RWMBFGLXSA-N 2 2 284.404 -0.933 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@H](C)[C@H]2C[NH+](C)CCN2C)C1 ZINC000896554471 584702313 /nfs/dbraw/zinc/70/23/13/584702313.db2.gz GJPAJOVGSAAWFC-MCIONIFRSA-N 2 2 298.431 -0.542 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)N[C@H](C)[C@H]2C[NH+](C)CCN2C)C1 ZINC000896554471 584702315 /nfs/dbraw/zinc/70/23/15/584702315.db2.gz GJPAJOVGSAAWFC-MCIONIFRSA-N 2 2 298.431 -0.542 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCN2C)C1 ZINC000896554471 584702316 /nfs/dbraw/zinc/70/23/16/584702316.db2.gz GJPAJOVGSAAWFC-MCIONIFRSA-N 2 2 298.431 -0.542 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCN2C)C1 ZINC000896554471 584702319 /nfs/dbraw/zinc/70/23/19/584702319.db2.gz GJPAJOVGSAAWFC-MCIONIFRSA-N 2 2 298.431 -0.542 20 0 CBADLP C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)[C@H]1C[NH+](C)CCO1 ZINC000897076985 584708326 /nfs/dbraw/zinc/70/83/26/584708326.db2.gz DZFVTZXXIXITPT-IJLUTSLNSA-N 2 2 255.362 -0.084 20 0 CBADLP C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)[C@H]1C[NH+](C)CCO1 ZINC000897076985 584708327 /nfs/dbraw/zinc/70/83/27/584708327.db2.gz DZFVTZXXIXITPT-IJLUTSLNSA-N 2 2 255.362 -0.084 20 0 CBADLP C[C@@H](NC(=O)[C@H]1CCC[NH+]1C)[C@H]1C[N@H+](C)CCO1 ZINC000897076985 584708329 /nfs/dbraw/zinc/70/83/29/584708329.db2.gz DZFVTZXXIXITPT-IJLUTSLNSA-N 2 2 255.362 -0.084 20 0 CBADLP C[C@@H](NC(=O)[C@H]1CCC[NH+]1C)[C@H]1C[N@@H+](C)CCO1 ZINC000897076985 584708330 /nfs/dbraw/zinc/70/83/30/584708330.db2.gz DZFVTZXXIXITPT-IJLUTSLNSA-N 2 2 255.362 -0.084 20 0 CBADLP CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000897318637 584712976 /nfs/dbraw/zinc/71/29/76/584712976.db2.gz LJRFELPFDQHSPH-LBPRGKRZSA-N 2 2 293.371 -0.400 20 0 CBADLP CC[N@H+]1CC[C@H]1CNC(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000897318637 584712978 /nfs/dbraw/zinc/71/29/78/584712978.db2.gz LJRFELPFDQHSPH-LBPRGKRZSA-N 2 2 293.371 -0.400 20 0 CBADLP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NCCn1cc[nH+]c1 ZINC000897349845 584713659 /nfs/dbraw/zinc/71/36/59/584713659.db2.gz VMCIIXOZVCNVEO-LLVKDONJSA-N 2 2 279.344 -0.790 20 0 CBADLP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)NCCn1cc[nH+]c1 ZINC000897349845 584713661 /nfs/dbraw/zinc/71/36/61/584713661.db2.gz VMCIIXOZVCNVEO-LLVKDONJSA-N 2 2 279.344 -0.790 20 0 CBADLP C[C@@H]1CN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)CC[N@@H+]1CCO ZINC000897456606 584717011 /nfs/dbraw/zinc/71/70/11/584717011.db2.gz ZXKCPFABNWHQFS-OCCSQVGLSA-N 2 2 297.399 -0.768 20 0 CBADLP C[C@@H]1CN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)CC[N@H+]1CCO ZINC000897456606 584717012 /nfs/dbraw/zinc/71/70/12/584717012.db2.gz ZXKCPFABNWHQFS-OCCSQVGLSA-N 2 2 297.399 -0.768 20 0 CBADLP C[C@H]1CN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)CC[N@@H+]1CCO ZINC000897456604 584717145 /nfs/dbraw/zinc/71/71/45/584717145.db2.gz ZXKCPFABNWHQFS-GXTWGEPZSA-N 2 2 297.399 -0.768 20 0 CBADLP C[C@H]1CN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)CC[N@H+]1CCO ZINC000897456604 584717147 /nfs/dbraw/zinc/71/71/47/584717147.db2.gz ZXKCPFABNWHQFS-GXTWGEPZSA-N 2 2 297.399 -0.768 20 0 CBADLP Cn1c[nH+]cc1CNC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897791789 584724993 /nfs/dbraw/zinc/72/49/93/584724993.db2.gz WTGLWAAGIMZGCW-NSHDSACASA-N 2 2 264.329 -0.243 20 0 CBADLP COCC[NH+](CCOC)C1CN(C(=O)C[NH+](C)C)C1 ZINC000898255389 584733508 /nfs/dbraw/zinc/73/35/08/584733508.db2.gz OFWGYOKKNZHZTE-UHFFFAOYSA-N 2 2 273.377 -0.646 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCC[NH+](CCF)C2)C1 ZINC000898495532 584736519 /nfs/dbraw/zinc/73/65/19/584736519.db2.gz SYXPMLJTKQYDAI-NEPJUHHUSA-N 2 2 273.352 -0.133 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCC[NH+](CCF)C2)C1 ZINC000898495532 584736521 /nfs/dbraw/zinc/73/65/21/584736521.db2.gz SYXPMLJTKQYDAI-NEPJUHHUSA-N 2 2 273.352 -0.133 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2CCC[N@H+](CCF)C2)C1 ZINC000898495532 584736523 /nfs/dbraw/zinc/73/65/23/584736523.db2.gz SYXPMLJTKQYDAI-NEPJUHHUSA-N 2 2 273.352 -0.133 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2CCC[N@@H+](CCF)C2)C1 ZINC000898495532 584736525 /nfs/dbraw/zinc/73/65/25/584736525.db2.gz SYXPMLJTKQYDAI-NEPJUHHUSA-N 2 2 273.352 -0.133 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCC[NH+](CCF)C2)C1 ZINC000898495533 584736558 /nfs/dbraw/zinc/73/65/58/584736558.db2.gz SYXPMLJTKQYDAI-NWDGAFQWSA-N 2 2 273.352 -0.133 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCC[NH+](CCF)C2)C1 ZINC000898495533 584736559 /nfs/dbraw/zinc/73/65/59/584736559.db2.gz SYXPMLJTKQYDAI-NWDGAFQWSA-N 2 2 273.352 -0.133 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)N[C@H]2CCC[N@H+](CCF)C2)C1 ZINC000898495533 584736560 /nfs/dbraw/zinc/73/65/60/584736560.db2.gz SYXPMLJTKQYDAI-NWDGAFQWSA-N 2 2 273.352 -0.133 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)N[C@H]2CCC[N@@H+](CCF)C2)C1 ZINC000898495533 584736562 /nfs/dbraw/zinc/73/65/62/584736562.db2.gz SYXPMLJTKQYDAI-NWDGAFQWSA-N 2 2 273.352 -0.133 20 0 CBADLP C[C@H]1CN(C(=O)NCC[NH+]2CCOCC2)CC[C@@H]1C[NH3+] ZINC000899241883 584754195 /nfs/dbraw/zinc/75/41/95/584754195.db2.gz MREFWNWCLBIHES-QWHCGFSZSA-N 2 2 284.404 -0.055 20 0 CBADLP C[N@H+](CCO)CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000899732570 584776973 /nfs/dbraw/zinc/77/69/73/584776973.db2.gz JIGPTBOBDYWZRI-NSHDSACASA-N 2 2 266.345 -0.514 20 0 CBADLP C[N@@H+](CCO)CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000899732570 584776975 /nfs/dbraw/zinc/77/69/75/584776975.db2.gz JIGPTBOBDYWZRI-NSHDSACASA-N 2 2 266.345 -0.514 20 0 CBADLP C[N@H+](CCO)CCNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000899736759 584777665 /nfs/dbraw/zinc/77/76/65/584777665.db2.gz SGUAZPJOGCFVKT-UHFFFAOYSA-N 2 2 289.339 -0.079 20 0 CBADLP C[N@@H+](CCO)CCNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000899736759 584777666 /nfs/dbraw/zinc/77/76/66/584777666.db2.gz SGUAZPJOGCFVKT-UHFFFAOYSA-N 2 2 289.339 -0.079 20 0 CBADLP O=C(NCC[NH+]1CCOCC1)C12CC[NH+](CC1)C2 ZINC000899928716 584785459 /nfs/dbraw/zinc/78/54/59/584785459.db2.gz NVPRITBPTSQTNJ-UHFFFAOYSA-N 2 2 253.346 -0.469 20 0 CBADLP CC(C)[NH+]1CCN(C(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)CC1 ZINC000900134352 584792020 /nfs/dbraw/zinc/79/20/20/584792020.db2.gz FUIZAQACGJMRDK-TZMCWYRMSA-N 2 2 269.389 -0.006 20 0 CBADLP CC(C)[NH+]1CCN(C(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)CC1 ZINC000900134352 584792021 /nfs/dbraw/zinc/79/20/21/584792021.db2.gz FUIZAQACGJMRDK-TZMCWYRMSA-N 2 2 269.389 -0.006 20 0 CBADLP C[NH+](C)CCn1nccc1C(=O)N1CC[NH+](CCO)CC1 ZINC000900147802 584792870 /nfs/dbraw/zinc/79/28/70/584792870.db2.gz VVRZZJLCRQJBIN-UHFFFAOYSA-N 2 2 295.387 -0.805 20 0 CBADLP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000900484280 584807108 /nfs/dbraw/zinc/80/71/08/584807108.db2.gz OTJJWINWOHTPBO-IUODEOHRSA-N 2 2 299.415 -0.332 20 0 CBADLP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000900484280 584807110 /nfs/dbraw/zinc/80/71/10/584807110.db2.gz OTJJWINWOHTPBO-IUODEOHRSA-N 2 2 299.415 -0.332 20 0 CBADLP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000900484280 584807113 /nfs/dbraw/zinc/80/71/13/584807113.db2.gz OTJJWINWOHTPBO-IUODEOHRSA-N 2 2 299.415 -0.332 20 0 CBADLP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000900484280 584807115 /nfs/dbraw/zinc/80/71/15/584807115.db2.gz OTJJWINWOHTPBO-IUODEOHRSA-N 2 2 299.415 -0.332 20 0 CBADLP CCC[NH+]1CCN(C(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)CC1 ZINC000900555944 584811400 /nfs/dbraw/zinc/81/14/00/584811400.db2.gz MYANFDGPAHBSKX-JSGCOSHPSA-N 2 2 269.389 -0.004 20 0 CBADLP CCC[NH+]1CCN(C(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)CC1 ZINC000900555944 584811401 /nfs/dbraw/zinc/81/14/01/584811401.db2.gz MYANFDGPAHBSKX-JSGCOSHPSA-N 2 2 269.389 -0.004 20 0 CBADLP CCC[NH+]1CCN(C(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)CC1 ZINC000900555947 584811437 /nfs/dbraw/zinc/81/14/37/584811437.db2.gz MYANFDGPAHBSKX-TZMCWYRMSA-N 2 2 269.389 -0.004 20 0 CBADLP CCC[NH+]1CCN(C(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)CC1 ZINC000900555947 584811438 /nfs/dbraw/zinc/81/14/38/584811438.db2.gz MYANFDGPAHBSKX-TZMCWYRMSA-N 2 2 269.389 -0.004 20 0 CBADLP CCC[NH+]1CCN(C(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)CC1 ZINC000900555942 584811547 /nfs/dbraw/zinc/81/15/47/584811547.db2.gz MYANFDGPAHBSKX-GXTWGEPZSA-N 2 2 269.389 -0.004 20 0 CBADLP CCC[NH+]1CCN(C(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)CC1 ZINC000900555942 584811551 /nfs/dbraw/zinc/81/15/51/584811551.db2.gz MYANFDGPAHBSKX-GXTWGEPZSA-N 2 2 269.389 -0.004 20 0 CBADLP C[C@H]([C@H](C)NC(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C)[NH+]1CCOCC1 ZINC000900591053 584814535 /nfs/dbraw/zinc/81/45/35/584814535.db2.gz GINSANZQKBGYJZ-XFMPKHEZSA-N 2 2 299.415 -0.333 20 0 CBADLP C[C@H]([C@H](C)NC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C)[NH+]1CCOCC1 ZINC000900591053 584814537 /nfs/dbraw/zinc/81/45/37/584814537.db2.gz GINSANZQKBGYJZ-XFMPKHEZSA-N 2 2 299.415 -0.333 20 0 CBADLP CC(C)(O)C[NH+]1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000900601815 584814953 /nfs/dbraw/zinc/81/49/53/584814953.db2.gz OQAZPLXBHJWPRG-UHFFFAOYSA-N 2 2 266.345 -0.133 20 0 CBADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)CNc1cccc[nH+]1 ZINC000900659367 584819455 /nfs/dbraw/zinc/81/94/55/584819455.db2.gz MOZNRNOWDFHKBW-LBPRGKRZSA-N 2 2 277.372 -0.145 20 0 CBADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)CNc1cccc[nH+]1 ZINC000900659367 584819456 /nfs/dbraw/zinc/81/94/56/584819456.db2.gz MOZNRNOWDFHKBW-LBPRGKRZSA-N 2 2 277.372 -0.145 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H](O)C(C)(C)O)C2)CC1 ZINC000900672167 584820232 /nfs/dbraw/zinc/82/02/32/584820232.db2.gz AGQOMOAAXCKVEL-YPMHNXCESA-N 2 2 299.415 -0.597 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@H](O)C(C)(C)O)C2)CC1 ZINC000900672167 584820234 /nfs/dbraw/zinc/82/02/34/584820234.db2.gz AGQOMOAAXCKVEL-YPMHNXCESA-N 2 2 299.415 -0.597 20 0 CBADLP CN(C)c1[nH+]cc(CNC(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)n1C ZINC000900679838 584820785 /nfs/dbraw/zinc/82/07/85/584820785.db2.gz AANVJRWPTQUVFH-BXUZGUMPSA-N 2 2 295.387 -0.443 20 0 CBADLP CN(C)c1[nH+]cc(CNC(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)n1C ZINC000900679838 584820786 /nfs/dbraw/zinc/82/07/86/584820786.db2.gz AANVJRWPTQUVFH-BXUZGUMPSA-N 2 2 295.387 -0.443 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)CC1 ZINC000900684363 584821467 /nfs/dbraw/zinc/82/14/67/584821467.db2.gz NYXXJPMIEMXDFT-OCCSQVGLSA-N 2 2 285.388 -0.768 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)CC1 ZINC000900684363 584821468 /nfs/dbraw/zinc/82/14/68/584821468.db2.gz NYXXJPMIEMXDFT-OCCSQVGLSA-N 2 2 285.388 -0.768 20 0 CBADLP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000900718378 584824507 /nfs/dbraw/zinc/82/45/07/584824507.db2.gz SDDJJUXGTXYYHA-WCQYABFASA-N 2 2 264.329 -0.279 20 0 CBADLP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000900718378 584824508 /nfs/dbraw/zinc/82/45/08/584824508.db2.gz SDDJJUXGTXYYHA-WCQYABFASA-N 2 2 264.329 -0.279 20 0 CBADLP C[C@H](NC(=O)C12CC[NH+](CC1)C2)[C@H]1CN(C)CC[N@@H+]1C ZINC000900802288 584827728 /nfs/dbraw/zinc/82/77/28/584827728.db2.gz DOAILMUNZBDGRF-QWHCGFSZSA-N 2 2 280.416 -0.167 20 0 CBADLP C[C@H](NC(=O)C12CC[NH+](CC1)C2)[C@H]1CN(C)CC[N@H+]1C ZINC000900802288 584827729 /nfs/dbraw/zinc/82/77/29/584827729.db2.gz DOAILMUNZBDGRF-QWHCGFSZSA-N 2 2 280.416 -0.167 20 0 CBADLP C[C@H](NC(=O)C12CC[NH+](CC1)C2)[C@@H]1CN(C)CC[N@@H+]1C ZINC000900802289 584827780 /nfs/dbraw/zinc/82/77/80/584827780.db2.gz DOAILMUNZBDGRF-STQMWFEESA-N 2 2 280.416 -0.167 20 0 CBADLP C[C@H](NC(=O)C12CC[NH+](CC1)C2)[C@@H]1CN(C)CC[N@H+]1C ZINC000900802289 584827782 /nfs/dbraw/zinc/82/77/82/584827782.db2.gz DOAILMUNZBDGRF-STQMWFEESA-N 2 2 280.416 -0.167 20 0 CBADLP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000901035987 584842246 /nfs/dbraw/zinc/84/22/46/584842246.db2.gz PEZWCZAISPQRBN-GUTXKFCHSA-N 2 2 297.399 -0.625 20 0 CBADLP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000901035987 584842247 /nfs/dbraw/zinc/84/22/47/584842247.db2.gz PEZWCZAISPQRBN-GUTXKFCHSA-N 2 2 297.399 -0.625 20 0 CBADLP C[C@@H]1CN(C(=O)[C@]2(C)C[C@@H](O)C[NH+]2C)[C@@H](C)C[N@@H+]1C ZINC000901288621 584858745 /nfs/dbraw/zinc/85/87/45/584858745.db2.gz WOLZUVLNEQUQJS-CZXHOFHRSA-N 2 2 269.389 -0.008 20 0 CBADLP C[C@@H]1CN(C(=O)[C@]2(C)C[C@@H](O)C[NH+]2C)[C@@H](C)C[N@H+]1C ZINC000901288621 584858746 /nfs/dbraw/zinc/85/87/46/584858746.db2.gz WOLZUVLNEQUQJS-CZXHOFHRSA-N 2 2 269.389 -0.008 20 0 CBADLP C[C@@H]1CN(C(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)[C@@H](C)C[NH+]1C ZINC000901288621 584858748 /nfs/dbraw/zinc/85/87/48/584858748.db2.gz WOLZUVLNEQUQJS-CZXHOFHRSA-N 2 2 269.389 -0.008 20 0 CBADLP C[C@@H]1CN(C(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)[C@@H](C)C[NH+]1C ZINC000901288621 584858749 /nfs/dbraw/zinc/85/87/49/584858749.db2.gz WOLZUVLNEQUQJS-CZXHOFHRSA-N 2 2 269.389 -0.008 20 0 CBADLP C[C@@H]1[C@H](C)N(C(=O)[C@]2(C)C[C@H](O)C[NH+]2C)CC[N@H+]1C ZINC000901309715 584859642 /nfs/dbraw/zinc/85/96/42/584859642.db2.gz WSPQRUYOBFZITG-UHXUPSOCSA-N 2 2 269.389 -0.008 20 0 CBADLP C[C@@H]1[C@H](C)N(C(=O)[C@]2(C)C[C@H](O)C[NH+]2C)CC[N@@H+]1C ZINC000901309715 584859644 /nfs/dbraw/zinc/85/96/44/584859644.db2.gz WSPQRUYOBFZITG-UHXUPSOCSA-N 2 2 269.389 -0.008 20 0 CBADLP C[C@@H]1[C@H](C)N(C(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)CC[NH+]1C ZINC000901309715 584859645 /nfs/dbraw/zinc/85/96/45/584859645.db2.gz WSPQRUYOBFZITG-UHXUPSOCSA-N 2 2 269.389 -0.008 20 0 CBADLP C[C@@H]1[C@H](C)N(C(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)CC[NH+]1C ZINC000901309715 584859646 /nfs/dbraw/zinc/85/96/46/584859646.db2.gz WSPQRUYOBFZITG-UHXUPSOCSA-N 2 2 269.389 -0.008 20 0 CBADLP C[C@@H]1[C@H](C)N(C(=O)[C@]2(C)C[C@@H](O)C[NH+]2C)CC[N@H+]1C ZINC000901309712 584859738 /nfs/dbraw/zinc/85/97/38/584859738.db2.gz WSPQRUYOBFZITG-CZXHOFHRSA-N 2 2 269.389 -0.008 20 0 CBADLP C[C@@H]1[C@H](C)N(C(=O)[C@]2(C)C[C@@H](O)C[NH+]2C)CC[N@@H+]1C ZINC000901309712 584859739 /nfs/dbraw/zinc/85/97/39/584859739.db2.gz WSPQRUYOBFZITG-CZXHOFHRSA-N 2 2 269.389 -0.008 20 0 CBADLP C[C@@H]1[C@H](C)N(C(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)CC[NH+]1C ZINC000901309712 584859741 /nfs/dbraw/zinc/85/97/41/584859741.db2.gz WSPQRUYOBFZITG-CZXHOFHRSA-N 2 2 269.389 -0.008 20 0 CBADLP C[C@@H]1[C@H](C)N(C(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)CC[NH+]1C ZINC000901309712 584859743 /nfs/dbraw/zinc/85/97/43/584859743.db2.gz WSPQRUYOBFZITG-CZXHOFHRSA-N 2 2 269.389 -0.008 20 0 CBADLP C[C@@H]1[C@H](C)N(C(=O)[C@@]2(C)C[C@H](O)C[NH+]2C)CC[N@H+]1C ZINC000901309714 584859763 /nfs/dbraw/zinc/85/97/63/584859763.db2.gz WSPQRUYOBFZITG-OWTLIXCDSA-N 2 2 269.389 -0.008 20 0 CBADLP C[C@@H]1[C@H](C)N(C(=O)[C@@]2(C)C[C@H](O)C[NH+]2C)CC[N@@H+]1C ZINC000901309714 584859764 /nfs/dbraw/zinc/85/97/64/584859764.db2.gz WSPQRUYOBFZITG-OWTLIXCDSA-N 2 2 269.389 -0.008 20 0 CBADLP C[C@@H]1[C@H](C)N(C(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)CC[NH+]1C ZINC000901309714 584859766 /nfs/dbraw/zinc/85/97/66/584859766.db2.gz WSPQRUYOBFZITG-OWTLIXCDSA-N 2 2 269.389 -0.008 20 0 CBADLP C[C@@H]1[C@H](C)N(C(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)CC[NH+]1C ZINC000901309714 584859767 /nfs/dbraw/zinc/85/97/67/584859767.db2.gz WSPQRUYOBFZITG-OWTLIXCDSA-N 2 2 269.389 -0.008 20 0 CBADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCO[C@@]12CCOC2 ZINC000903205244 584889500 /nfs/dbraw/zinc/88/95/00/584889500.db2.gz GJMKEDJEEBMLHO-KCQAQPDRSA-N 2 2 297.399 -0.136 20 0 CBADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCO[C@@]12CCOC2 ZINC000903205244 584889501 /nfs/dbraw/zinc/88/95/01/584889501.db2.gz GJMKEDJEEBMLHO-KCQAQPDRSA-N 2 2 297.399 -0.136 20 0 CBADLP CCNC(=O)CN1CC[NH+](C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903442642 584890427 /nfs/dbraw/zinc/89/04/27/584890427.db2.gz VVDZKULIFDLDBH-OLZOCXBDSA-N 2 2 268.405 -0.404 20 0 CBADLP CCNC(=O)C[NH+]1CCN(C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903442642 584890428 /nfs/dbraw/zinc/89/04/28/584890428.db2.gz VVDZKULIFDLDBH-OLZOCXBDSA-N 2 2 268.405 -0.404 20 0 CBADLP COC(=O)CN(CC[NH+]1CCOCC1)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903455126 584890585 /nfs/dbraw/zinc/89/05/85/584890585.db2.gz QPQKKIZDKREVAD-KGLIPLIRSA-N 2 2 299.415 -0.351 20 0 CBADLP [NH3+]CC[N@H+](C[C@@H](O)CO)C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000903463740 584890849 /nfs/dbraw/zinc/89/08/49/584890849.db2.gz KYUCFMMGSNZULP-CHWFTXMASA-N 2 2 264.316 -0.108 20 0 CBADLP [NH3+]CC[N@@H+](C[C@@H](O)CO)C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000903463740 584890850 /nfs/dbraw/zinc/89/08/50/584890850.db2.gz KYUCFMMGSNZULP-CHWFTXMASA-N 2 2 264.316 -0.108 20 0 CBADLP CC[C@@H](CS(=O)(=O)NCC[NH+]1CCC([NH3+])CC1)OC ZINC000903565783 584893445 /nfs/dbraw/zinc/89/34/45/584893445.db2.gz QFJSHZRPTVAWSV-LBPRGKRZSA-N 2 2 293.433 -0.246 20 0 CBADLP C[C@H]1OCC[C@@H]1S(=O)(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000903565401 584893454 /nfs/dbraw/zinc/89/34/54/584893454.db2.gz JIFOIVQLUFYTIC-PWSUYJOCSA-N 2 2 291.417 -0.494 20 0 CBADLP CN(C1CC1)S(=O)(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000903566478 584893460 /nfs/dbraw/zinc/89/34/60/584893460.db2.gz VVAAGKSOOOXWEA-UHFFFAOYSA-N 2 2 276.406 -0.662 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2C[C@H]([NH3+])C(C)(C)C2)CC1 ZINC000903711109 584895456 /nfs/dbraw/zinc/89/54/56/584895456.db2.gz RDJOSBVKXKELJS-NSHDSACASA-N 2 2 282.388 -0.654 20 0 CBADLP O=C1C[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CCN1 ZINC000903718275 584895589 /nfs/dbraw/zinc/89/55/89/584895589.db2.gz JSGBCTRYSORNRY-LLVKDONJSA-N 2 2 253.346 -0.423 20 0 CBADLP O=C1C[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CCN1 ZINC000903718275 584895590 /nfs/dbraw/zinc/89/55/90/584895590.db2.gz JSGBCTRYSORNRY-LLVKDONJSA-N 2 2 253.346 -0.423 20 0 CBADLP CC[C@@H]1C(=O)NCC[N@H+]1C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903730790 584896266 /nfs/dbraw/zinc/89/62/66/584896266.db2.gz ZHMAOPMYUCKZHP-YRGRVCCFSA-N 2 2 267.373 -0.035 20 0 CBADLP CC[C@@H]1C(=O)NCC[N@@H+]1C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903730790 584896267 /nfs/dbraw/zinc/89/62/67/584896267.db2.gz ZHMAOPMYUCKZHP-YRGRVCCFSA-N 2 2 267.373 -0.035 20 0 CBADLP CN1CC[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1=O ZINC000903730703 584896277 /nfs/dbraw/zinc/89/62/77/584896277.db2.gz YQAKLKCZKMQIKR-LBPRGKRZSA-N 2 2 267.373 -0.081 20 0 CBADLP CN1CC[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1=O ZINC000903730703 584896279 /nfs/dbraw/zinc/89/62/79/584896279.db2.gz YQAKLKCZKMQIKR-LBPRGKRZSA-N 2 2 267.373 -0.081 20 0 CBADLP O=C1NC[C@@H]2C[N@H+](C[C@@H]3CCCC[NH2+]C3)CCN2C1=O ZINC000903756135 584897586 /nfs/dbraw/zinc/89/75/86/584897586.db2.gz OZQXIESHSWHGBY-VXGBXAGGSA-N 2 2 280.372 -0.981 20 0 CBADLP O=C1NC[C@@H]2C[N@@H+](C[C@@H]3CCCC[NH2+]C3)CCN2C1=O ZINC000903756135 584897588 /nfs/dbraw/zinc/89/75/88/584897588.db2.gz OZQXIESHSWHGBY-VXGBXAGGSA-N 2 2 280.372 -0.981 20 0 CBADLP O=S1(=O)CCCN1CC[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000903761341 584897853 /nfs/dbraw/zinc/89/78/53/584897853.db2.gz QFJZZIMLCIHJCX-UHFFFAOYSA-N 2 2 273.402 -0.150 20 0 CBADLP Cc1cc(C)[nH+]c(CN(CC[NH3+])C[C@H](O)CO)c1 ZINC000903768972 584898071 /nfs/dbraw/zinc/89/80/71/584898071.db2.gz WJQAZULXLCRLQX-ZDUSSCGKSA-N 2 2 253.346 -0.188 20 0 CBADLP C[C@@H]1C[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC(=O)N1 ZINC000903769186 584898421 /nfs/dbraw/zinc/89/84/21/584898421.db2.gz ZIMKQEJNBKLQKG-NEPJUHHUSA-N 2 2 267.373 -0.035 20 0 CBADLP C[C@@H]1C[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC(=O)N1 ZINC000903769186 584898422 /nfs/dbraw/zinc/89/84/22/584898422.db2.gz ZIMKQEJNBKLQKG-NEPJUHHUSA-N 2 2 267.373 -0.035 20 0 CBADLP [NH3+][C@@]12CCC[C@@H]1C[N@H+](CCN1CCCS1(=O)=O)C2 ZINC000903769506 584898431 /nfs/dbraw/zinc/89/84/31/584898431.db2.gz HYKPLJFRXKVNIW-VXGBXAGGSA-N 2 2 273.402 -0.165 20 0 CBADLP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](CCN1CCCS1(=O)=O)C2 ZINC000903769506 584898433 /nfs/dbraw/zinc/89/84/33/584898433.db2.gz HYKPLJFRXKVNIW-VXGBXAGGSA-N 2 2 273.402 -0.165 20 0 CBADLP COCCOCCOCC[N@@H+]1CCC[C@]([NH3+])(CO)C1 ZINC000903788595 584899668 /nfs/dbraw/zinc/89/96/68/584899668.db2.gz OIIBKBIORWUJOL-CYBMUJFWSA-N 2 2 276.377 -0.548 20 0 CBADLP COCCOCCOCC[N@H+]1CCC[C@]([NH3+])(CO)C1 ZINC000903788595 584899670 /nfs/dbraw/zinc/89/96/70/584899670.db2.gz OIIBKBIORWUJOL-CYBMUJFWSA-N 2 2 276.377 -0.548 20 0 CBADLP [NH3+][C@]1(CO)CCC[N@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903787447 584899723 /nfs/dbraw/zinc/89/97/23/584899723.db2.gz WQWZYAXVCMZQES-HZSPNIEDSA-N 3 2 269.389 -0.459 20 0 CBADLP [NH3+][C@]1(CO)CCC[N@@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903787447 584899724 /nfs/dbraw/zinc/89/97/24/584899724.db2.gz WQWZYAXVCMZQES-HZSPNIEDSA-N 3 2 269.389 -0.459 20 0 CBADLP [NH3+][C@]1(CO)CCC[N@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903787446 584899748 /nfs/dbraw/zinc/89/97/48/584899748.db2.gz WQWZYAXVCMZQES-BFHYXJOUSA-N 3 2 269.389 -0.459 20 0 CBADLP [NH3+][C@]1(CO)CCC[N@@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903787446 584899749 /nfs/dbraw/zinc/89/97/49/584899749.db2.gz WQWZYAXVCMZQES-BFHYXJOUSA-N 3 2 269.389 -0.459 20 0 CBADLP [NH3+]C[C@]12CC[C@H]1CCC[N@@H+]2CCN1C(=O)CNC1=O ZINC000903796541 584900058 /nfs/dbraw/zinc/90/00/58/584900058.db2.gz AGJYVNNUUWTWNN-ZWNOBZJWSA-N 2 2 266.345 -0.259 20 0 CBADLP [NH3+]C[C@]12CC[C@H]1CCC[N@H+]2CCN1C(=O)CNC1=O ZINC000903796541 584900059 /nfs/dbraw/zinc/90/00/59/584900059.db2.gz AGJYVNNUUWTWNN-ZWNOBZJWSA-N 2 2 266.345 -0.259 20 0 CBADLP Cn1nnnc1CC[N@@H+]1CCC[C@H]2CC[C@@]21C[NH3+] ZINC000903802310 584900321 /nfs/dbraw/zinc/90/03/21/584900321.db2.gz RTULZLJEUXHNBN-CMPLNLGQSA-N 2 2 250.350 -0.044 20 0 CBADLP Cn1nnnc1CC[N@H+]1CCC[C@H]2CC[C@@]21C[NH3+] ZINC000903802310 584900323 /nfs/dbraw/zinc/90/03/23/584900323.db2.gz RTULZLJEUXHNBN-CMPLNLGQSA-N 2 2 250.350 -0.044 20 0 CBADLP CCS(=O)(=O)NCC[N@H+](C)C1(C[NH3+])CCOCC1 ZINC000903808233 584900387 /nfs/dbraw/zinc/90/03/87/584900387.db2.gz DGJPFAPPTACJCA-UHFFFAOYSA-N 2 2 279.406 -0.635 20 0 CBADLP CCS(=O)(=O)NCC[N@@H+](C)C1(C[NH3+])CCOCC1 ZINC000903808233 584900388 /nfs/dbraw/zinc/90/03/88/584900388.db2.gz DGJPFAPPTACJCA-UHFFFAOYSA-N 2 2 279.406 -0.635 20 0 CBADLP C[C@@H]1C[N@H+](C[C@H]2CCC[NH2+]2)C[C@H]1CS(N)(=O)=O ZINC000903825897 584900905 /nfs/dbraw/zinc/90/09/05/584900905.db2.gz DMHFFUCCRYKDEO-OUAUKWLOSA-N 2 2 261.391 -0.405 20 0 CBADLP C[C@@H]1C[N@@H+](C[C@H]2CCC[NH2+]2)C[C@H]1CS(N)(=O)=O ZINC000903825897 584900906 /nfs/dbraw/zinc/90/09/06/584900906.db2.gz DMHFFUCCRYKDEO-OUAUKWLOSA-N 2 2 261.391 -0.405 20 0 CBADLP CS(=O)(=O)C[C@H]1C[N@H+](CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000903824964 584900959 /nfs/dbraw/zinc/90/09/59/584900959.db2.gz WJGNBSWDXVGZLA-NWDGAFQWSA-N 2 2 276.402 -0.269 20 0 CBADLP CS(=O)(=O)C[C@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000903824964 584900961 /nfs/dbraw/zinc/90/09/61/584900961.db2.gz WJGNBSWDXVGZLA-NWDGAFQWSA-N 2 2 276.402 -0.269 20 0 CBADLP Cn1c(C[N@@H+]2CC[C@@H]3CC[C@]32C[NH3+])cc(=O)n(C)c1=O ZINC000903856058 584902004 /nfs/dbraw/zinc/90/20/04/584902004.db2.gz QFAREFMBGKDXIL-HZMBPMFUSA-N 2 2 278.356 -0.603 20 0 CBADLP Cn1c(C[N@H+]2CC[C@@H]3CC[C@]32C[NH3+])cc(=O)n(C)c1=O ZINC000903856058 584902005 /nfs/dbraw/zinc/90/20/05/584902005.db2.gz QFAREFMBGKDXIL-HZMBPMFUSA-N 2 2 278.356 -0.603 20 0 CBADLP CN1CC(=O)N(CC[N@@H+]2CC[C@@H]3CC[C@@]32C[NH3+])C1=O ZINC000903865196 584902516 /nfs/dbraw/zinc/90/25/16/584902516.db2.gz YROQPYVQQYRNFA-GXFFZTMASA-N 2 2 266.345 -0.306 20 0 CBADLP CN1CC(=O)N(CC[N@H+]2CC[C@@H]3CC[C@@]32C[NH3+])C1=O ZINC000903865196 584902517 /nfs/dbraw/zinc/90/25/17/584902517.db2.gz YROQPYVQQYRNFA-GXFFZTMASA-N 2 2 266.345 -0.306 20 0 CBADLP COCCOC[C@H](O)C[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903871442 584902781 /nfs/dbraw/zinc/90/27/81/584902781.db2.gz UORPMYZAPGBMFQ-OLZOCXBDSA-N 2 2 258.362 -0.162 20 0 CBADLP COCCOC[C@H](O)C[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903871442 584902783 /nfs/dbraw/zinc/90/27/83/584902783.db2.gz UORPMYZAPGBMFQ-OLZOCXBDSA-N 2 2 258.362 -0.162 20 0 CBADLP COCCOC[C@@H](O)C[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903871444 584902827 /nfs/dbraw/zinc/90/28/27/584902827.db2.gz UORPMYZAPGBMFQ-STQMWFEESA-N 2 2 258.362 -0.162 20 0 CBADLP COCCOC[C@@H](O)C[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903871444 584902828 /nfs/dbraw/zinc/90/28/28/584902828.db2.gz UORPMYZAPGBMFQ-STQMWFEESA-N 2 2 258.362 -0.162 20 0 CBADLP CCOC(=O)[C@@H]1C[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC000903875370 584903165 /nfs/dbraw/zinc/90/31/65/584903165.db2.gz OYPHSCYTUKPNNP-NEPJUHHUSA-N 2 2 284.356 -0.371 20 0 CBADLP CCOC(=O)[C@@H]1C[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC000903875370 584903167 /nfs/dbraw/zinc/90/31/67/584903167.db2.gz OYPHSCYTUKPNNP-NEPJUHHUSA-N 2 2 284.356 -0.371 20 0 CBADLP CNC(=O)[C@@H]1CCC[N@@H+]1Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903886038 584904031 /nfs/dbraw/zinc/90/40/31/584904031.db2.gz QTLBTUIJRRNUSS-YPMHNXCESA-N 2 2 292.387 -0.087 20 0 CBADLP CNC(=O)[C@@H]1CCC[N@H+]1Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903886038 584904033 /nfs/dbraw/zinc/90/40/33/584904033.db2.gz QTLBTUIJRRNUSS-YPMHNXCESA-N 2 2 292.387 -0.087 20 0 CBADLP C[N@H+](CCOCCO)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903908904 584904472 /nfs/dbraw/zinc/90/44/72/584904472.db2.gz BBICDLJWYNFEGC-GFCCVEGCSA-N 2 2 283.376 -0.357 20 0 CBADLP C[N@@H+](CCOCCO)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903908904 584904473 /nfs/dbraw/zinc/90/44/73/584904473.db2.gz BBICDLJWYNFEGC-GFCCVEGCSA-N 2 2 283.376 -0.357 20 0 CBADLP CC[N@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)[C@@H]1CCNC1=O ZINC000903915906 584904528 /nfs/dbraw/zinc/90/45/28/584904528.db2.gz DSVZJDYGMCTEOR-WCQYABFASA-N 2 2 292.387 -0.087 20 0 CBADLP CC[N@@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)[C@@H]1CCNC1=O ZINC000903915906 584904529 /nfs/dbraw/zinc/90/45/29/584904529.db2.gz DSVZJDYGMCTEOR-WCQYABFASA-N 2 2 292.387 -0.087 20 0 CBADLP C[NH2+]CCOCC[N@H+](C)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903935910 584904854 /nfs/dbraw/zinc/90/48/54/584904854.db2.gz VXXMYEVVGLIQFT-ZDUSSCGKSA-N 3 2 296.419 -0.130 20 0 CBADLP C[NH2+]CCOCC[N@@H+](C)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903935910 584904855 /nfs/dbraw/zinc/90/48/55/584904855.db2.gz VXXMYEVVGLIQFT-ZDUSSCGKSA-N 3 2 296.419 -0.130 20 0 CBADLP NC(=O)Cn1cc(C[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)nn1 ZINC000903959807 584905124 /nfs/dbraw/zinc/90/51/24/584905124.db2.gz PENNQISMAYSSQE-AWEZNQCLSA-N 2 2 292.387 -0.271 20 0 CBADLP NC(=O)Cn1cc(C[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)nn1 ZINC000903959807 584905125 /nfs/dbraw/zinc/90/51/25/584905125.db2.gz PENNQISMAYSSQE-AWEZNQCLSA-N 2 2 292.387 -0.271 20 0 CBADLP CCN(C(=O)C1CC[NH+](C)CC1)C1C[NH+](CCO)C1 ZINC000951616536 614587933 /nfs/dbraw/zinc/58/79/33/614587933.db2.gz NWDYKTNKQNNXGY-UHFFFAOYSA-N 2 2 269.389 -0.147 20 0 CBADLP CC1(C)C[N@H+](CC(N)=O)C[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000977592404 614614049 /nfs/dbraw/zinc/61/40/49/614614049.db2.gz CGVRQNMQMISDMO-NSHDSACASA-N 2 2 282.388 -0.606 20 0 CBADLP CC1(C)C[N@@H+](CC(N)=O)C[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000977592404 614614052 /nfs/dbraw/zinc/61/40/52/614614052.db2.gz CGVRQNMQMISDMO-NSHDSACASA-N 2 2 282.388 -0.606 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+]([C@H](C)COC)CC2)C1 ZINC000957723822 615169600 /nfs/dbraw/zinc/16/96/00/615169600.db2.gz CANJUHRHHZZHHS-ZIAGYGMSSA-N 2 2 299.415 -0.114 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[NH+]([C@H](C)COC)CC2)C1 ZINC000957723822 615169601 /nfs/dbraw/zinc/16/96/01/615169601.db2.gz CANJUHRHHZZHHS-ZIAGYGMSSA-N 2 2 299.415 -0.114 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCF)C[C@H]32)C1 ZINC000962666285 615172081 /nfs/dbraw/zinc/17/20/81/615172081.db2.gz NEPYSEUNYGXJRX-XQHKEYJVSA-N 2 2 285.363 -0.277 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCF)C[C@H]32)C1 ZINC000962666285 615172082 /nfs/dbraw/zinc/17/20/82/615172082.db2.gz NEPYSEUNYGXJRX-XQHKEYJVSA-N 2 2 285.363 -0.277 20 0 CBADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CCF)C[C@H]32)C1 ZINC000962666285 615172083 /nfs/dbraw/zinc/17/20/83/615172083.db2.gz NEPYSEUNYGXJRX-XQHKEYJVSA-N 2 2 285.363 -0.277 20 0 CBADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCF)C[C@H]32)C1 ZINC000962666285 615172085 /nfs/dbraw/zinc/17/20/85/615172085.db2.gz NEPYSEUNYGXJRX-XQHKEYJVSA-N 2 2 285.363 -0.277 20 0 CBADLP CC[C@@H]([NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1)C(N)=O ZINC000970104853 615537738 /nfs/dbraw/zinc/53/77/38/615537738.db2.gz HANLUOINHVMPPC-MWLCHTKSSA-N 2 2 279.344 -0.593 20 0 CBADLP CC[C@H]([NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1)C(N)=O ZINC000970857566 615822027 /nfs/dbraw/zinc/82/20/27/615822027.db2.gz BECUOOLBADXILV-MNOVXSKESA-N 2 2 279.344 -0.663 20 0 CBADLP CN(C(=O)Cn1cc[nH+]c1)C1CCC([NH2+]CC(N)=O)CC1 ZINC000964465841 615830230 /nfs/dbraw/zinc/83/02/30/615830230.db2.gz YPZWQOJQJYBZBQ-UHFFFAOYSA-N 2 2 293.371 -0.272 20 0 CBADLP C[N@H+](CCO)[C@@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000971814949 616111133 /nfs/dbraw/zinc/11/11/33/616111133.db2.gz WNZPQLWMHFEXQK-QWHCGFSZSA-N 2 2 292.383 -0.030 20 0 CBADLP C[N@@H+](CCO)[C@@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000971814949 616111134 /nfs/dbraw/zinc/11/11/34/616111134.db2.gz WNZPQLWMHFEXQK-QWHCGFSZSA-N 2 2 292.383 -0.030 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC(N)=O)CC1(C)C ZINC000940625000 616212730 /nfs/dbraw/zinc/21/27/30/616212730.db2.gz MCENTUMPVWEITP-RYUDHWBXSA-N 2 2 296.415 -0.217 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC(N)=O)CC1(C)C ZINC000940625000 616212731 /nfs/dbraw/zinc/21/27/31/616212731.db2.gz MCENTUMPVWEITP-RYUDHWBXSA-N 2 2 296.415 -0.217 20 0 CBADLP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC(N)=O)CC1(C)C ZINC000940625000 616212732 /nfs/dbraw/zinc/21/27/32/616212732.db2.gz MCENTUMPVWEITP-RYUDHWBXSA-N 2 2 296.415 -0.217 20 0 CBADLP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)CC1(C)C ZINC000940625000 616212733 /nfs/dbraw/zinc/21/27/33/616212733.db2.gz MCENTUMPVWEITP-RYUDHWBXSA-N 2 2 296.415 -0.217 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CCF)C[C@H]32)C1 ZINC000977956552 616259343 /nfs/dbraw/zinc/25/93/43/616259343.db2.gz PNCZQIQEAPADFR-RVMXOQNASA-N 2 2 285.363 -0.420 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CCF)C[C@H]32)C1 ZINC000977956552 616259344 /nfs/dbraw/zinc/25/93/44/616259344.db2.gz PNCZQIQEAPADFR-RVMXOQNASA-N 2 2 285.363 -0.420 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](CCF)C[C@H]32)C1 ZINC000977956552 616259345 /nfs/dbraw/zinc/25/93/45/616259345.db2.gz PNCZQIQEAPADFR-RVMXOQNASA-N 2 2 285.363 -0.420 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](CCF)C[C@H]32)C1 ZINC000977956552 616259346 /nfs/dbraw/zinc/25/93/46/616259346.db2.gz PNCZQIQEAPADFR-RVMXOQNASA-N 2 2 285.363 -0.420 20 0 CBADLP COCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000969442516 616315292 /nfs/dbraw/zinc/31/52/92/616315292.db2.gz RGHAWSDBQZCBFC-DGCLKSJQSA-N 2 2 285.388 -0.600 20 0 CBADLP COCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000969442516 616315298 /nfs/dbraw/zinc/31/52/98/616315298.db2.gz RGHAWSDBQZCBFC-DGCLKSJQSA-N 2 2 285.388 -0.600 20 0 CBADLP COCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000969442515 616320625 /nfs/dbraw/zinc/32/06/25/616320625.db2.gz RGHAWSDBQZCBFC-AAEUAGOBSA-N 2 2 285.388 -0.600 20 0 CBADLP COCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000969442515 616320630 /nfs/dbraw/zinc/32/06/30/616320630.db2.gz RGHAWSDBQZCBFC-AAEUAGOBSA-N 2 2 285.388 -0.600 20 0 CBADLP CN1CC[C@H]([NH2+][C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1=O ZINC000970105716 616417904 /nfs/dbraw/zinc/41/79/04/616417904.db2.gz RNDGNLBZSGQVLL-PWSUYJOCSA-N 2 2 291.355 -0.627 20 0 CBADLP CNC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000969969929 616598294 /nfs/dbraw/zinc/59/82/94/616598294.db2.gz QMAJDRGARXDNCL-AAEUAGOBSA-N 2 2 296.415 -0.347 20 0 CBADLP CNC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000969969929 616598296 /nfs/dbraw/zinc/59/82/96/616598296.db2.gz QMAJDRGARXDNCL-AAEUAGOBSA-N 2 2 296.415 -0.347 20 0 CBADLP CNC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000969969931 616598843 /nfs/dbraw/zinc/59/88/43/616598843.db2.gz QMAJDRGARXDNCL-WCQYABFASA-N 2 2 296.415 -0.347 20 0 CBADLP CNC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000969969931 616598846 /nfs/dbraw/zinc/59/88/46/616598846.db2.gz QMAJDRGARXDNCL-WCQYABFASA-N 2 2 296.415 -0.347 20 0 CBADLP COC[C@@H](C)[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000980894279 616801008 /nfs/dbraw/zinc/80/10/08/616801008.db2.gz VJRPFTPBWXMDIU-ZIAGYGMSSA-N 2 2 299.415 -0.114 20 0 CBADLP COC[C@@H](C)[N@H+]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000980894279 616801011 /nfs/dbraw/zinc/80/10/11/616801011.db2.gz VJRPFTPBWXMDIU-ZIAGYGMSSA-N 2 2 299.415 -0.114 20 0 CBADLP COC[C@@H](C)[NH+]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000980894279 616801014 /nfs/dbraw/zinc/80/10/14/616801014.db2.gz VJRPFTPBWXMDIU-ZIAGYGMSSA-N 2 2 299.415 -0.114 20 0 CBADLP COC[C@@H](C)[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000980894279 616801017 /nfs/dbraw/zinc/80/10/17/616801017.db2.gz VJRPFTPBWXMDIU-ZIAGYGMSSA-N 2 2 299.415 -0.114 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCOC[C@@H](C)C1 ZINC000311120971 656145469 /nfs/dbraw/zinc/14/54/69/656145469.db2.gz OQIBBYBSFDFQJC-STQMWFEESA-N 2 2 260.378 -0.106 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCOC[C@@H](C)C1 ZINC000311120971 656145472 /nfs/dbraw/zinc/14/54/72/656145472.db2.gz OQIBBYBSFDFQJC-STQMWFEESA-N 2 2 260.378 -0.106 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCOC[C@@H](C)C1 ZINC000311120971 656145475 /nfs/dbraw/zinc/14/54/75/656145475.db2.gz OQIBBYBSFDFQJC-STQMWFEESA-N 2 2 260.378 -0.106 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCOC[C@H](C)C1 ZINC000311120967 656144804 /nfs/dbraw/zinc/14/48/04/656144804.db2.gz OQIBBYBSFDFQJC-CHWSQXEVSA-N 2 2 260.378 -0.106 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCOC[C@H](C)C1 ZINC000311120967 656144807 /nfs/dbraw/zinc/14/48/07/656144807.db2.gz OQIBBYBSFDFQJC-CHWSQXEVSA-N 2 2 260.378 -0.106 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCOC[C@H](C)C1 ZINC000311120967 656144809 /nfs/dbraw/zinc/14/48/09/656144809.db2.gz OQIBBYBSFDFQJC-CHWSQXEVSA-N 2 2 260.378 -0.106 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCOC[C@H](C)C1 ZINC000311120967 656144811 /nfs/dbraw/zinc/14/48/11/656144811.db2.gz OQIBBYBSFDFQJC-CHWSQXEVSA-N 2 2 260.378 -0.106 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCOC[C@@H](C)C1 ZINC000311120971 656145476 /nfs/dbraw/zinc/14/54/76/656145476.db2.gz OQIBBYBSFDFQJC-STQMWFEESA-N 2 2 260.378 -0.106 20 0 CBADLP O=S(=O)(N1CCCCCC1)N1CC[NH2+]CC[NH2+]CC1 ZINC000923690182 658397584 /nfs/dbraw/zinc/39/75/84/658397584.db2.gz BJILCPCMIZYMTJ-UHFFFAOYSA-N 2 2 290.433 -0.398 20 0 CBADLP COC(=O)c1cn(CC[NH2+][C@H]2CCC[NH2+][C@@H]2C)nn1 ZINC000925665346 658864904 /nfs/dbraw/zinc/86/49/04/658864904.db2.gz DLGLIYJHICGFJY-ZJUUUORDSA-N 2 2 267.333 -0.205 20 0 CBADLP C[NH+](C)CCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000929162645 659095609 /nfs/dbraw/zinc/09/56/09/659095609.db2.gz OMJGJQXXATVUGB-OLZOCXBDSA-N 2 2 285.388 -0.456 20 0 CBADLP CN(C[C@@H](O)C[NH+]1CCCC1)[C@H]1CC[N@@H+]2CCO[C@H]1C2 ZINC000930597233 659310397 /nfs/dbraw/zinc/31/03/97/659310397.db2.gz GUIUDQVOSQSZEY-ILXRZTDVSA-N 2 2 283.416 -0.152 20 0 CBADLP C[C@H](O)[C@H](O)C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000931065654 659381198 /nfs/dbraw/zinc/38/11/98/659381198.db2.gz CXCSYOSIKHVROB-WCFLWFBJSA-N 2 2 258.362 -0.741 20 0 CBADLP C[C@H](O)[C@H](O)C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000931065654 659381205 /nfs/dbraw/zinc/38/12/05/659381205.db2.gz CXCSYOSIKHVROB-WCFLWFBJSA-N 2 2 258.362 -0.741 20 0 CBADLP C[N@H+](C[C@H](O)C[NH2+][C@H]1C(=O)NCC1(C)C)C1CC1 ZINC000931654359 659503723 /nfs/dbraw/zinc/50/37/23/659503723.db2.gz COAKBKMIZAYKNK-MNOVXSKESA-N 2 2 255.362 -0.444 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH2+][C@H]1C(=O)NCC1(C)C)C1CC1 ZINC000931654359 659503728 /nfs/dbraw/zinc/50/37/28/659503728.db2.gz COAKBKMIZAYKNK-MNOVXSKESA-N 2 2 255.362 -0.444 20 0 CBADLP C[N@@H+]1CCN(CC[NH+]2C[C@H]3CC[C@@H](C2)O3)C[C@H]1CO ZINC000931402088 659452561 /nfs/dbraw/zinc/45/25/61/659452561.db2.gz BGLFQXVFRCSCCW-MELADBBJSA-N 2 2 269.389 -0.542 20 0 CBADLP C[N@H+]1CCN(CC[NH+]2C[C@H]3CC[C@@H](C2)O3)C[C@H]1CO ZINC000931402088 659452566 /nfs/dbraw/zinc/45/25/66/659452566.db2.gz BGLFQXVFRCSCCW-MELADBBJSA-N 2 2 269.389 -0.542 20 0 CBADLP C[NH+]1CCN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C[C@H]1CO ZINC000931402088 659452576 /nfs/dbraw/zinc/45/25/76/659452576.db2.gz BGLFQXVFRCSCCW-MELADBBJSA-N 2 2 269.389 -0.542 20 0 CBADLP C[NH+]1CCN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C[C@H]1CO ZINC000931402088 659452581 /nfs/dbraw/zinc/45/25/81/659452581.db2.gz BGLFQXVFRCSCCW-MELADBBJSA-N 2 2 269.389 -0.542 20 0 CBADLP C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)[C@@H]1C[NH+](C)CCO1 ZINC000127122305 656067948 /nfs/dbraw/zinc/06/79/48/656067948.db2.gz DZFVTZXXIXITPT-WOPDTQHZSA-N 2 2 255.362 -0.084 20 0 CBADLP C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)[C@@H]1C[NH+](C)CCO1 ZINC000127122305 656067950 /nfs/dbraw/zinc/06/79/50/656067950.db2.gz DZFVTZXXIXITPT-WOPDTQHZSA-N 2 2 255.362 -0.084 20 0 CBADLP C[C@@H](NC(=O)[C@@H]1CCC[NH+]1C)[C@@H]1C[N@H+](C)CCO1 ZINC000127122305 656067953 /nfs/dbraw/zinc/06/79/53/656067953.db2.gz DZFVTZXXIXITPT-WOPDTQHZSA-N 2 2 255.362 -0.084 20 0 CBADLP C[C@@H](NC(=O)[C@@H]1CCC[NH+]1C)[C@@H]1C[N@@H+](C)CCO1 ZINC000127122305 656067955 /nfs/dbraw/zinc/06/79/55/656067955.db2.gz DZFVTZXXIXITPT-WOPDTQHZSA-N 2 2 255.362 -0.084 20 0 CBADLP C[C@@H]1CC[N@H+](CC(=O)NC(=O)NC2CC2)C[C@H]1C[NH3+] ZINC000253182027 656123893 /nfs/dbraw/zinc/12/38/93/656123893.db2.gz FPSHIHQHHMKNEY-NXEZZACHSA-N 2 2 268.361 -0.109 20 0 CBADLP C[C@@H]1CC[N@@H+](CC(=O)NC(=O)NC2CC2)C[C@H]1C[NH3+] ZINC000253182027 656123897 /nfs/dbraw/zinc/12/38/97/656123897.db2.gz FPSHIHQHHMKNEY-NXEZZACHSA-N 2 2 268.361 -0.109 20 0 CBADLP Cn1ccnc1[C@@H]1C[NH2+]CCN1CC[NH+]1CCOCC1 ZINC000261800422 656126319 /nfs/dbraw/zinc/12/63/19/656126319.db2.gz RIYHUYPKPOODSJ-ZDUSSCGKSA-N 2 2 279.388 -0.301 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000313080208 656147453 /nfs/dbraw/zinc/14/74/53/656147453.db2.gz LGGDWXKNUBOUCX-BYNSBNAKSA-N 3 2 285.432 -0.015 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000313080208 656147455 /nfs/dbraw/zinc/14/74/55/656147455.db2.gz LGGDWXKNUBOUCX-BYNSBNAKSA-N 3 2 285.432 -0.015 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000313080208 656147457 /nfs/dbraw/zinc/14/74/57/656147457.db2.gz LGGDWXKNUBOUCX-BYNSBNAKSA-N 3 2 285.432 -0.015 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000313080208 656147458 /nfs/dbraw/zinc/14/74/58/656147458.db2.gz LGGDWXKNUBOUCX-BYNSBNAKSA-N 3 2 285.432 -0.015 20 0 CBADLP COCC[N@H+](C)CCN1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000348412650 656157269 /nfs/dbraw/zinc/15/72/69/656157269.db2.gz IHYCJNLNICDLDZ-NSHDSACASA-N 2 2 295.343 -0.549 20 0 CBADLP COCC[N@@H+](C)CCN1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000348412650 656157271 /nfs/dbraw/zinc/15/72/71/656157271.db2.gz IHYCJNLNICDLDZ-NSHDSACASA-N 2 2 295.343 -0.549 20 0 CBADLP CNC(=O)NC1CC[NH+](C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000702144761 656180075 /nfs/dbraw/zinc/18/00/75/656180075.db2.gz NIHWPEYDTSQOBQ-CYBMUJFWSA-N 2 2 284.404 -0.164 20 0 CBADLP C[C@]1(C[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)CCC[NH2+]C1 ZINC000703019793 656182597 /nfs/dbraw/zinc/18/25/97/656182597.db2.gz LMLZPWFXDLHCFL-RYUDHWBXSA-N 2 2 275.418 0.000 20 0 CBADLP C[C@]1(C[N@H+]2CC[C@H](NS(C)(=O)=O)C2)CCC[NH2+]C1 ZINC000703019793 656182600 /nfs/dbraw/zinc/18/26/00/656182600.db2.gz LMLZPWFXDLHCFL-RYUDHWBXSA-N 2 2 275.418 0.000 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](CO)[C@H]1CO ZINC000709803912 656196439 /nfs/dbraw/zinc/19/64/39/656196439.db2.gz NEVVYSALOGZFIZ-RWMBFGLXSA-N 2 2 260.378 -0.636 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](CO)[C@H]1CO ZINC000709803912 656196440 /nfs/dbraw/zinc/19/64/40/656196440.db2.gz NEVVYSALOGZFIZ-RWMBFGLXSA-N 2 2 260.378 -0.636 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](CO)[C@H]1CO ZINC000709803912 656196441 /nfs/dbraw/zinc/19/64/41/656196441.db2.gz NEVVYSALOGZFIZ-RWMBFGLXSA-N 2 2 260.378 -0.636 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](CO)[C@H]1CO ZINC000709803912 656196443 /nfs/dbraw/zinc/19/64/43/656196443.db2.gz NEVVYSALOGZFIZ-RWMBFGLXSA-N 2 2 260.378 -0.636 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710663317 656199522 /nfs/dbraw/zinc/19/95/22/656199522.db2.gz DGKQFGKGWHJVAO-CYBMUJFWSA-N 3 2 273.421 -0.313 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710663317 656199523 /nfs/dbraw/zinc/19/95/23/656199523.db2.gz DGKQFGKGWHJVAO-CYBMUJFWSA-N 3 2 273.421 -0.313 20 0 CBADLP COC[C@]1(C(=O)NCCn2cc[nH+]c2)C[NH2+]CCO1 ZINC000710819851 656203214 /nfs/dbraw/zinc/20/32/14/656203214.db2.gz ASTUQHHSHAGJPG-LBPRGKRZSA-N 2 2 268.317 -0.996 20 0 CBADLP CC1(C)C[NH2+]C[C@@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000711355829 656207946 /nfs/dbraw/zinc/20/79/46/656207946.db2.gz RVALTHKKWFBFDE-LLVKDONJSA-N 2 2 255.362 -0.632 20 0 CBADLP O=C1CNC(=O)N1CC[N@@H+]1CC[NH2+]CCC12CCC2 ZINC000713237010 656211885 /nfs/dbraw/zinc/21/18/85/656211885.db2.gz XWXXYABELIATQK-UHFFFAOYSA-N 2 2 266.345 -0.244 20 0 CBADLP O=C1CNC(=O)N1CC[N@H+]1CC[NH2+]CCC12CCC2 ZINC000713237010 656211889 /nfs/dbraw/zinc/21/18/89/656211889.db2.gz XWXXYABELIATQK-UHFFFAOYSA-N 2 2 266.345 -0.244 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H](O)CC[C@H]1C ZINC000713722721 656213055 /nfs/dbraw/zinc/21/30/55/656213055.db2.gz ULPBZGJVDXMIPB-FRRDWIJNSA-N 2 2 260.378 -0.229 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H](O)CC[C@H]1C ZINC000713722721 656213057 /nfs/dbraw/zinc/21/30/57/656213057.db2.gz ULPBZGJVDXMIPB-FRRDWIJNSA-N 2 2 260.378 -0.229 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H](O)CC[C@H]1C ZINC000713722721 656213061 /nfs/dbraw/zinc/21/30/61/656213061.db2.gz ULPBZGJVDXMIPB-FRRDWIJNSA-N 2 2 260.378 -0.229 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H](O)CC[C@H]1C ZINC000713722721 656213065 /nfs/dbraw/zinc/21/30/65/656213065.db2.gz ULPBZGJVDXMIPB-FRRDWIJNSA-N 2 2 260.378 -0.229 20 0 CBADLP O=C(CC[NH2+]CC1CC1)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000717196482 656227190 /nfs/dbraw/zinc/22/71/90/656227190.db2.gz NEJYJUJCDVPTSM-AWEZNQCLSA-N 2 2 280.416 -0.118 20 0 CBADLP O=C(CC[NH2+]CC1CC1)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000717196482 656227192 /nfs/dbraw/zinc/22/71/92/656227192.db2.gz NEJYJUJCDVPTSM-AWEZNQCLSA-N 2 2 280.416 -0.118 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](O)[C@H]1C ZINC000718944384 656233722 /nfs/dbraw/zinc/23/37/22/656233722.db2.gz XKOZCKUIICTLHY-JHJVBQTASA-N 2 2 260.378 -0.229 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](O)[C@H]1C ZINC000718944384 656233727 /nfs/dbraw/zinc/23/37/27/656233727.db2.gz XKOZCKUIICTLHY-JHJVBQTASA-N 2 2 260.378 -0.229 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](O)[C@H]1C ZINC000718944384 656233732 /nfs/dbraw/zinc/23/37/32/656233732.db2.gz XKOZCKUIICTLHY-JHJVBQTASA-N 2 2 260.378 -0.229 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](O)[C@H]1C ZINC000718944384 656233737 /nfs/dbraw/zinc/23/37/37/656233737.db2.gz XKOZCKUIICTLHY-JHJVBQTASA-N 2 2 260.378 -0.229 20 0 CBADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H](N)CC[NH+](C)C ZINC000877432663 656247584 /nfs/dbraw/zinc/24/75/84/656247584.db2.gz DZZINEOZOCVVOO-CHWSQXEVSA-N 2 2 286.420 -0.508 20 0 CBADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@H](N)CC[NH+](C)C ZINC000877432663 656247586 /nfs/dbraw/zinc/24/75/86/656247586.db2.gz DZZINEOZOCVVOO-CHWSQXEVSA-N 2 2 286.420 -0.508 20 0 CBADLP C[N@H+](CC(=O)NC1CC[NH+](C)CC1)[C@@H]1CCCCNC1=O ZINC000878051415 656248893 /nfs/dbraw/zinc/24/88/93/656248893.db2.gz DZONJTRTSTVBFK-CYBMUJFWSA-N 2 2 296.415 -0.203 20 0 CBADLP C[N@@H+](CC(=O)NC1CC[NH+](C)CC1)[C@@H]1CCCCNC1=O ZINC000878051415 656248895 /nfs/dbraw/zinc/24/88/95/656248895.db2.gz DZONJTRTSTVBFK-CYBMUJFWSA-N 2 2 296.415 -0.203 20 0 CBADLP CC(C)[N@H+](CC(N)=O)CC(=O)NC1CC[NH+](C)CC1 ZINC000877923295 656249315 /nfs/dbraw/zinc/24/93/15/656249315.db2.gz MZNNDFDLKSBDCZ-UHFFFAOYSA-N 2 2 270.377 -0.608 20 0 CBADLP CC(C)[N@@H+](CC(N)=O)CC(=O)NC1CC[NH+](C)CC1 ZINC000877923295 656249322 /nfs/dbraw/zinc/24/93/22/656249322.db2.gz MZNNDFDLKSBDCZ-UHFFFAOYSA-N 2 2 270.377 -0.608 20 0 CBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884427463 656253188 /nfs/dbraw/zinc/25/31/88/656253188.db2.gz XLHRMDNVZNTSDL-CHWSQXEVSA-N 2 2 299.415 -0.617 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000884638683 656253488 /nfs/dbraw/zinc/25/34/88/656253488.db2.gz FWZFVUXQKJLPRK-NWDGAFQWSA-N 2 2 293.371 -0.272 20 0 CBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)c1cc[nH+]cc1CO ZINC000892857163 656273203 /nfs/dbraw/zinc/27/32/03/656273203.db2.gz SQDJGRNATDTHLD-CYBMUJFWSA-N 2 2 281.356 -0.297 20 0 CBADLP C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CN(C)CC[NH+]1C ZINC000896560802 656289652 /nfs/dbraw/zinc/28/96/52/656289652.db2.gz TVRLEDPSCZTCHG-XQQFMLRXSA-N 2 2 268.405 -0.311 20 0 CBADLP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CN(C)CC[NH+]1C ZINC000896560802 656289656 /nfs/dbraw/zinc/28/96/56/656289656.db2.gz TVRLEDPSCZTCHG-XQQFMLRXSA-N 2 2 268.405 -0.311 20 0 CBADLP C[C@H](NC(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896560802 656289662 /nfs/dbraw/zinc/28/96/62/656289662.db2.gz TVRLEDPSCZTCHG-XQQFMLRXSA-N 2 2 268.405 -0.311 20 0 CBADLP C[C@H](NC(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CN(C)CC[N@H+]1C ZINC000896560802 656289666 /nfs/dbraw/zinc/28/96/66/656289666.db2.gz TVRLEDPSCZTCHG-XQQFMLRXSA-N 2 2 268.405 -0.311 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000900208436 656306738 /nfs/dbraw/zinc/30/67/38/656306738.db2.gz IUMAQGBSDPMLPT-ZFWWWQNUSA-N 2 2 299.415 -0.330 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000900208436 656306742 /nfs/dbraw/zinc/30/67/42/656306742.db2.gz IUMAQGBSDPMLPT-ZFWWWQNUSA-N 2 2 299.415 -0.330 20 0 CBADLP C[N@@H+](Cc1ccc(N2CC[NH2+]CC2)o1)C[C@H](O)C[NH3+] ZINC000904358547 656325157 /nfs/dbraw/zinc/32/51/57/656325157.db2.gz PARCPWQANBTPGR-LLVKDONJSA-N 3 2 268.361 -0.559 20 0 CBADLP C[N@H+](Cc1ccc(N2CC[NH2+]CC2)o1)C[C@H](O)C[NH3+] ZINC000904358547 656325161 /nfs/dbraw/zinc/32/51/61/656325161.db2.gz PARCPWQANBTPGR-LLVKDONJSA-N 3 2 268.361 -0.559 20 0 CBADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CC[C@@H](CS(N)(=O)=O)C1 ZINC000904428499 656326455 /nfs/dbraw/zinc/32/64/55/656326455.db2.gz MSPVAFQCHKSLMA-MNOVXSKESA-N 2 2 263.407 -0.030 20 0 CBADLP CC(C)C[C@H]([NH3+])C[N@H+]1CC[C@@H](CS(N)(=O)=O)C1 ZINC000904428499 656326456 /nfs/dbraw/zinc/32/64/56/656326456.db2.gz MSPVAFQCHKSLMA-MNOVXSKESA-N 2 2 263.407 -0.030 20 0 CBADLP O[C@H](C[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C1(O)CCC1 ZINC000905077319 656337223 /nfs/dbraw/zinc/33/72/23/656337223.db2.gz XCYGHMHPYRQTFW-FRRDWIJNSA-N 2 2 270.373 -0.285 20 0 CBADLP O[C@H](C[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)C1(O)CCC1 ZINC000905077319 656337226 /nfs/dbraw/zinc/33/72/26/656337226.db2.gz XCYGHMHPYRQTFW-FRRDWIJNSA-N 2 2 270.373 -0.285 20 0 CBADLP C[C@@H](CC[NH3+])NS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000905343168 656350452 /nfs/dbraw/zinc/35/04/52/656350452.db2.gz MGEVGJSYPKHXMW-NSHDSACASA-N 2 2 279.406 -0.635 20 0 CBADLP O=S(=O)(CC1CC[NH2+]CC1)N1CC[NH2+]C[C@H]1C(F)F ZINC000905343011 656350597 /nfs/dbraw/zinc/35/05/97/656350597.db2.gz FJDLZNLWQKYQLN-JTQLQIEISA-N 2 2 297.371 -0.145 20 0 CBADLP C[C@@H](NS(=O)(=O)CCC[NH+]1CCOCC1)[C@H](C)[NH3+] ZINC000905343578 656350676 /nfs/dbraw/zinc/35/06/76/656350676.db2.gz JVKHSOAARSMLFQ-WDEREUQCSA-N 2 2 279.406 -0.636 20 0 CBADLP [NH3+]CC(F)(F)CNS(=O)(=O)CC1CC[NH2+]CC1 ZINC000905342720 656350687 /nfs/dbraw/zinc/35/06/87/656350687.db2.gz KMBDUZDKLDXTNK-UHFFFAOYSA-N 2 2 271.333 -0.501 20 0 CBADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C[C@H](O)C1(O)CCC1 ZINC000905388236 656356261 /nfs/dbraw/zinc/35/62/61/656356261.db2.gz CTJMXJVLDUBHSJ-RYUDHWBXSA-N 2 2 285.388 -0.808 20 0 CBADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C[C@H](O)C1(O)CCC1 ZINC000905388236 656356264 /nfs/dbraw/zinc/35/62/64/656356264.db2.gz CTJMXJVLDUBHSJ-RYUDHWBXSA-N 2 2 285.388 -0.808 20 0 CBADLP CN1CC[N@H+](C)CC(C(=O)N2CC(n3cc[nH+]c3)C2)C1 ZINC000906697303 656397812 /nfs/dbraw/zinc/39/78/12/656397812.db2.gz ODXQSUWJGXURKU-UHFFFAOYSA-N 2 2 277.372 -0.240 20 0 CBADLP CN1CC[N@@H+](C)CC(C(=O)N2CC(n3cc[nH+]c3)C2)C1 ZINC000906697303 656397813 /nfs/dbraw/zinc/39/78/13/656397813.db2.gz ODXQSUWJGXURKU-UHFFFAOYSA-N 2 2 277.372 -0.240 20 0 CBADLP C[C@@H]([NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC1(C)C)C(N)=O ZINC000996354926 656409429 /nfs/dbraw/zinc/40/94/29/656409429.db2.gz JLVZFXKPMPPBAI-MWLCHTKSSA-N 2 2 293.371 -0.347 20 0 CBADLP C[C@H]([NH2+][C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC1(C)C)C(N)=O ZINC000996458265 656414594 /nfs/dbraw/zinc/41/45/94/656414594.db2.gz SWUOTWYGXIMAKD-UWVGGRQHSA-N 2 2 293.371 -0.347 20 0 CBADLP C[C@H]([NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2)CC1(C)C)C(N)=O ZINC000996714324 656454527 /nfs/dbraw/zinc/45/45/27/656454527.db2.gz KLSUFANIRMYIEO-QWRGUYRKSA-N 2 2 293.371 -0.417 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CCC([NH2+][C@H]2CCNC2=O)CC1 ZINC000997039315 656464497 /nfs/dbraw/zinc/46/44/97/656464497.db2.gz BSCQHPOKTTVBQD-LBPRGKRZSA-N 2 2 291.355 -0.579 20 0 CBADLP C[C@H](O)C[NH2+]C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000997117025 656467539 /nfs/dbraw/zinc/46/75/39/656467539.db2.gz BNELOLMHRVPGSR-JTQLQIEISA-N 2 2 266.345 -0.086 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N1CCC([NH2+]CCO)CC1 ZINC000997127019 656467853 /nfs/dbraw/zinc/46/78/53/656467853.db2.gz PZGJLYUWRFBGIW-UHFFFAOYSA-N 2 2 252.318 -0.475 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CCC([NH2+][C@@H]2CCNC2=O)CC1 ZINC000997413927 656476967 /nfs/dbraw/zinc/47/69/67/656476967.db2.gz WARYNZAFPVKUGZ-GFCCVEGCSA-N 2 2 291.355 -0.648 20 0 CBADLP C/C(=C/C(=O)NC[C@@]1(O)CC[N@@H+](C)C1)C[NH+]1CCOCC1 ZINC000907389852 656499664 /nfs/dbraw/zinc/49/96/64/656499664.db2.gz VBWYRDZZUJZHKI-CTXBLAANSA-N 2 2 297.399 -0.552 20 0 CBADLP C/C(=C/C(=O)NC[C@@]1(O)CC[N@H+](C)C1)C[NH+]1CCOCC1 ZINC000907389852 656499669 /nfs/dbraw/zinc/49/96/69/656499669.db2.gz VBWYRDZZUJZHKI-CTXBLAANSA-N 2 2 297.399 -0.552 20 0 CBADLP C[C@H](O)C[N@@H+]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H](C)C1 ZINC000907515312 656519057 /nfs/dbraw/zinc/51/90/57/656519057.db2.gz AUDMVWDPOGFMOQ-MNOVXSKESA-N 2 2 266.345 -0.134 20 0 CBADLP C[C@H](O)C[N@H+]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H](C)C1 ZINC000907515312 656519061 /nfs/dbraw/zinc/51/90/61/656519061.db2.gz AUDMVWDPOGFMOQ-MNOVXSKESA-N 2 2 266.345 -0.134 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000998385509 656527425 /nfs/dbraw/zinc/52/74/25/656527425.db2.gz YHUMGQYZGMOFTH-NSHDSACASA-N 2 2 291.355 -0.627 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000998385509 656527429 /nfs/dbraw/zinc/52/74/29/656527429.db2.gz YHUMGQYZGMOFTH-NSHDSACASA-N 2 2 291.355 -0.627 20 0 CBADLP CC[C@@H](C(=O)N1CC(NC(=O)Cc2[nH]cc[nH+]2)C1)[NH+](C)C ZINC000998381683 656527806 /nfs/dbraw/zinc/52/78/06/656527806.db2.gz CVCKOVKCEMQPST-NSHDSACASA-N 2 2 293.371 -0.381 20 0 CBADLP C[N@@H+]1CC[C@H](C(=O)N2CC(NC(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC000998387627 656530442 /nfs/dbraw/zinc/53/04/42/656530442.db2.gz TYYPXIUSIVCFQT-JTQLQIEISA-N 2 2 291.355 -0.769 20 0 CBADLP C[N@H+]1CC[C@H](C(=O)N2CC(NC(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC000998387627 656530447 /nfs/dbraw/zinc/53/04/47/656530447.db2.gz TYYPXIUSIVCFQT-JTQLQIEISA-N 2 2 291.355 -0.769 20 0 CBADLP CC[C@H]([NH2+]C1CC(N(C)C(=O)Cc2c[nH+]c[nH]2)C1)C(N)=O ZINC000999473494 656630625 /nfs/dbraw/zinc/63/06/25/656630625.db2.gz OHNRXIYAAKWRQW-NHNAUAITSA-N 2 2 293.371 -0.205 20 0 CBADLP CC[C@@H]([NH2+]C1CC(N(C)C(=O)Cc2c[nH+]c[nH]2)C1)C(N)=O ZINC000999473498 656631112 /nfs/dbraw/zinc/63/11/12/656631112.db2.gz OHNRXIYAAKWRQW-QEWOUOOISA-N 2 2 293.371 -0.205 20 0 CBADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C1CC([NH2+]CC(N)=O)C1 ZINC000999697093 656646253 /nfs/dbraw/zinc/64/62/53/656646253.db2.gz JKDKJDGLZHKOEW-UHFFFAOYSA-N 2 2 293.371 -0.248 20 0 CBADLP C[C@H]([NH2+]C1CC(N(C)C(=O)Cc2c[nH+]cn2C)C1)C(N)=O ZINC000999687022 656646280 /nfs/dbraw/zinc/64/62/80/656646280.db2.gz DIVJNQZQHCVUCO-WHXUTIOJSA-N 2 2 293.371 -0.585 20 0 CBADLP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000908134091 656653073 /nfs/dbraw/zinc/65/30/73/656653073.db2.gz MYSWJPWYRQEDLP-SUHUHFCYSA-N 2 2 278.356 -0.231 20 0 CBADLP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000908134091 656653082 /nfs/dbraw/zinc/65/30/82/656653082.db2.gz MYSWJPWYRQEDLP-SUHUHFCYSA-N 2 2 278.356 -0.231 20 0 CBADLP NC(=O)C[NH2+][C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000999836605 656654596 /nfs/dbraw/zinc/65/45/96/656654596.db2.gz NDRFNWGOJPAMLH-LLVKDONJSA-N 2 2 279.344 -0.661 20 0 CBADLP C[NH+](C)C[C@H](CO)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC000908199387 656662890 /nfs/dbraw/zinc/66/28/90/656662890.db2.gz DMWDWUMOEUJSLI-ZWNOBZJWSA-N 2 2 295.387 -0.171 20 0 CBADLP C[NH+](C)C[C@H](CO)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC000908199387 656662899 /nfs/dbraw/zinc/66/28/99/656662899.db2.gz DMWDWUMOEUJSLI-ZWNOBZJWSA-N 2 2 295.387 -0.171 20 0 CBADLP Cc1cn(C(C)(C)C(=O)N[C@H](CO)C[NH+](C)C)c[nH+]1 ZINC000908203053 656667001 /nfs/dbraw/zinc/66/70/01/656667001.db2.gz YCYYZQVRPPTUJN-NSHDSACASA-N 2 2 268.361 -0.035 20 0 CBADLP Cn1c[nH+]cc1CNC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000908261500 656687473 /nfs/dbraw/zinc/68/74/73/656687473.db2.gz PFDDOKDMDBINJH-ZDUSSCGKSA-N 2 2 266.345 -0.117 20 0 CBADLP Cn1c[nH+]cc1CNC(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000908261500 656687485 /nfs/dbraw/zinc/68/74/85/656687485.db2.gz PFDDOKDMDBINJH-ZDUSSCGKSA-N 2 2 266.345 -0.117 20 0 CBADLP Cn1c[nH+]cc1CNC(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC000908259453 656687698 /nfs/dbraw/zinc/68/76/98/656687698.db2.gz IPKMPRWEPLIJBQ-JQWIXIFHSA-N 2 2 252.318 -0.509 20 0 CBADLP Cn1c[nH+]cc1CNC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC000908259453 656687703 /nfs/dbraw/zinc/68/77/03/656687703.db2.gz IPKMPRWEPLIJBQ-JQWIXIFHSA-N 2 2 252.318 -0.509 20 0 CBADLP C[C@@H]([NH2+][C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1)C(N)=O ZINC001000314556 656710829 /nfs/dbraw/zinc/71/08/29/656710829.db2.gz YPFFFNGFQBYMDB-NXEZZACHSA-N 2 2 279.344 -0.593 20 0 CBADLP NC(=O)C[NH2+][C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001000324439 656711185 /nfs/dbraw/zinc/71/11/85/656711185.db2.gz NPLQOTMJVAFCMK-VIFPVBQESA-N 2 2 265.317 -0.982 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N1CCC[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001000566052 656740595 /nfs/dbraw/zinc/74/05/95/656740595.db2.gz RXUXEBBGJHNXCQ-WDEREUQCSA-N 2 2 291.355 -0.579 20 0 CBADLP C/C(=C\C(=O)NOCC[NH+](C)C)C[NH+]1CCOCC1 ZINC000908527513 656741104 /nfs/dbraw/zinc/74/11/04/656741104.db2.gz HVWYPEFLKIOQCK-ZRDIBKRKSA-N 2 2 271.361 -0.126 20 0 CBADLP C[N@@H+]1CC[C@H](C(=O)N2CC(NC(=O)Cc3c[nH]c[nH+]3)C2)C1 ZINC001000578750 656743793 /nfs/dbraw/zinc/74/37/93/656743793.db2.gz XLXLNXCYCYASQC-JTQLQIEISA-N 2 2 291.355 -0.769 20 0 CBADLP C[N@H+]1CC[C@H](C(=O)N2CC(NC(=O)Cc3c[nH]c[nH+]3)C2)C1 ZINC001000578750 656743797 /nfs/dbraw/zinc/74/37/97/656743797.db2.gz XLXLNXCYCYASQC-JTQLQIEISA-N 2 2 291.355 -0.769 20 0 CBADLP C[NH+](C)CCn1nccc1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000908758945 656758623 /nfs/dbraw/zinc/75/86/23/656758623.db2.gz UEMIKHSLPVTMEX-LLVKDONJSA-N 2 2 288.355 -0.004 20 0 CBADLP C[N@@H+]1CCC[C@](O)(CC(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000908759990 656758749 /nfs/dbraw/zinc/75/87/49/656758749.db2.gz JUXVXRWDYTVIFM-FZMZJTMJSA-N 2 2 278.356 -0.229 20 0 CBADLP C[N@H+]1CCC[C@](O)(CC(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000908759990 656758755 /nfs/dbraw/zinc/75/87/55/656758755.db2.gz JUXVXRWDYTVIFM-FZMZJTMJSA-N 2 2 278.356 -0.229 20 0 CBADLP C[C@H](O)C[NH2+][C@@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001000695428 656759073 /nfs/dbraw/zinc/75/90/73/656759073.db2.gz MFHLTUHDKJNYLE-NWDGAFQWSA-N 2 2 280.372 -0.076 20 0 CBADLP C[C@H](O)C[NH2+][C@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001000695429 656759422 /nfs/dbraw/zinc/75/94/22/656759422.db2.gz MFHLTUHDKJNYLE-RYUDHWBXSA-N 2 2 280.372 -0.076 20 0 CBADLP C[C@@H](O)C[NH2+][C@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001000695427 656759886 /nfs/dbraw/zinc/75/98/86/656759886.db2.gz MFHLTUHDKJNYLE-NEPJUHHUSA-N 2 2 280.372 -0.076 20 0 CBADLP C[C@@H]1CN(C(=O)[C@]2(C)C[C@@H](O)C[NH+]2C)C[C@H](C)[N@H+]1CCO ZINC000909032549 656774484 /nfs/dbraw/zinc/77/44/84/656774484.db2.gz JFRVYYHOUYNLKT-COMQUAJESA-N 2 2 299.415 -0.645 20 0 CBADLP C[C@@H]1CN(C(=O)[C@]2(C)C[C@@H](O)C[NH+]2C)C[C@H](C)[N@@H+]1CCO ZINC000909032549 656774492 /nfs/dbraw/zinc/77/44/92/656774492.db2.gz JFRVYYHOUYNLKT-COMQUAJESA-N 2 2 299.415 -0.645 20 0 CBADLP C[C@@H]1CN(C(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)C[C@H](C)[NH+]1CCO ZINC000909032549 656774498 /nfs/dbraw/zinc/77/44/98/656774498.db2.gz JFRVYYHOUYNLKT-COMQUAJESA-N 2 2 299.415 -0.645 20 0 CBADLP C[C@@H]1CN(C(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)C[C@H](C)[NH+]1CCO ZINC000909032549 656774507 /nfs/dbraw/zinc/77/45/07/656774507.db2.gz JFRVYYHOUYNLKT-COMQUAJESA-N 2 2 299.415 -0.645 20 0 CBADLP CC[C@H]([NH2+][C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1)C(N)=O ZINC001001052896 656792202 /nfs/dbraw/zinc/79/22/02/656792202.db2.gz PVSZUHKUJZYLRE-NEPJUHHUSA-N 2 2 293.371 -0.272 20 0 CBADLP C[C@@H]([NH2+][C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1)C(N)=O ZINC001001052503 656792332 /nfs/dbraw/zinc/79/23/32/656792332.db2.gz NKLAYYDATOLOFH-GHMZBOCLSA-N 2 2 279.344 -0.663 20 0 CBADLP C[C@H]1C[N@H+](CCO)CCN1C(=O)C[NH+](C)C1CCC1 ZINC000909436015 656813617 /nfs/dbraw/zinc/81/36/17/656813617.db2.gz CMQZTJJCPNACDY-LBPRGKRZSA-N 2 2 269.389 -0.004 20 0 CBADLP C[C@H]1C[N@@H+](CCO)CCN1C(=O)C[NH+](C)C1CCC1 ZINC000909436015 656813618 /nfs/dbraw/zinc/81/36/18/656813618.db2.gz CMQZTJJCPNACDY-LBPRGKRZSA-N 2 2 269.389 -0.004 20 0 CBADLP C[C@H]1C[NH+](CCO)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC000909436015 656813623 /nfs/dbraw/zinc/81/36/23/656813623.db2.gz CMQZTJJCPNACDY-LBPRGKRZSA-N 2 2 269.389 -0.004 20 0 CBADLP C[C@H]1C[NH+](CCO)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC000909436015 656813627 /nfs/dbraw/zinc/81/36/27/656813627.db2.gz CMQZTJJCPNACDY-LBPRGKRZSA-N 2 2 269.389 -0.004 20 0 CBADLP C[C@H]1C[N@H+](CCO)CCN1C(=O)C1CN(C)CC[NH+](C)C1 ZINC000909437754 656813893 /nfs/dbraw/zinc/81/38/93/656813893.db2.gz MIRFXPKMIAICQM-ZDUSSCGKSA-N 2 2 298.431 -0.995 20 0 CBADLP C[C@H]1C[N@@H+](CCO)CCN1C(=O)C1CN(C)CC[NH+](C)C1 ZINC000909437754 656813894 /nfs/dbraw/zinc/81/38/94/656813894.db2.gz MIRFXPKMIAICQM-ZDUSSCGKSA-N 2 2 298.431 -0.995 20 0 CBADLP C[C@H]1C[NH+](CCO)CCN1C(=O)C1CN(C)CC[N@H+](C)C1 ZINC000909437754 656813896 /nfs/dbraw/zinc/81/38/96/656813896.db2.gz MIRFXPKMIAICQM-ZDUSSCGKSA-N 2 2 298.431 -0.995 20 0 CBADLP C[C@H]1C[NH+](CCO)CCN1C(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000909437754 656813898 /nfs/dbraw/zinc/81/38/98/656813898.db2.gz MIRFXPKMIAICQM-ZDUSSCGKSA-N 2 2 298.431 -0.995 20 0 CBADLP C[NH+](C)Cc1cc(C(=O)NC2CC[NH+](CCO)CC2)no1 ZINC001003220329 656852867 /nfs/dbraw/zinc/85/28/67/656852867.db2.gz BDIATEAJGSNFIJ-UHFFFAOYSA-N 2 2 296.371 -0.077 20 0 CBADLP C[C@@H](O)C[NH+]1CCC(NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001003700491 656869156 /nfs/dbraw/zinc/86/91/56/656869156.db2.gz ABMYXHZSPUQWHL-SNVBAGLBSA-N 2 2 266.345 -0.086 20 0 CBADLP C[C@H](O)C[NH+]1CCC(NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001003700490 656869623 /nfs/dbraw/zinc/86/96/23/656869623.db2.gz ABMYXHZSPUQWHL-JTQLQIEISA-N 2 2 266.345 -0.086 20 0 CBADLP C[C@H](O)C[NH+]1CCC(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001004259116 656883127 /nfs/dbraw/zinc/88/31/27/656883127.db2.gz UYAMZFBSSQEIRW-NSHDSACASA-N 2 2 266.345 -0.156 20 0 CBADLP CC[C@@H](C(N)=O)[NH+]1CCC(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001004259950 656883980 /nfs/dbraw/zinc/88/39/80/656883980.db2.gz ONVQJIVOYWYNNU-LBPRGKRZSA-N 2 2 293.371 -0.272 20 0 CBADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)[C@@H](C)C[N@@H+]1CCO ZINC000910929808 656903948 /nfs/dbraw/zinc/90/39/48/656903948.db2.gz ZGSKCJCPSKGBSZ-MNOVXSKESA-N 2 2 266.345 -0.134 20 0 CBADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)[C@@H](C)C[N@H+]1CCO ZINC000910929808 656903971 /nfs/dbraw/zinc/90/39/71/656903971.db2.gz ZGSKCJCPSKGBSZ-MNOVXSKESA-N 2 2 266.345 -0.134 20 0 CBADLP C[NH2+]CCN(C(=O)C(=O)NCCn1cc[nH+]c1)C(C)C ZINC000910988575 656923347 /nfs/dbraw/zinc/92/33/47/656923347.db2.gz SYJHVHNFMAJDST-UHFFFAOYSA-N 2 2 281.360 -0.544 20 0 CBADLP Cn1c[nH+]c(CCNC(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000911014072 656929602 /nfs/dbraw/zinc/92/96/02/656929602.db2.gz HVRAHUCRZAAANY-LLVKDONJSA-N 2 2 293.371 -0.726 20 0 CBADLP Cn1c[nH+]c(CCNC(=O)C(=O)N[C@@H]2C[NH2+]CC2(C)C)c1 ZINC000911016109 656930947 /nfs/dbraw/zinc/93/09/47/656930947.db2.gz VPYZAECSXKAOLC-LLVKDONJSA-N 2 2 293.371 -0.807 20 0 CBADLP CN(C(=O)Cc1c[nH+]c[nH]1)C1CC[NH+](CCO)CC1 ZINC001006066229 656937303 /nfs/dbraw/zinc/93/73/03/656937303.db2.gz OYUYFMGDLLVSCS-UHFFFAOYSA-N 2 2 266.345 -0.133 20 0 CBADLP CN(C(=O)Cc1[nH]cc[nH+]1)C1CC[NH+](CCO)CC1 ZINC001006194762 656939930 /nfs/dbraw/zinc/93/99/30/656939930.db2.gz ZTFLQHRYWZEGPF-UHFFFAOYSA-N 2 2 266.345 -0.133 20 0 CBADLP CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001008531198 657047997 /nfs/dbraw/zinc/04/79/97/657047997.db2.gz KRVWTDKLPGADCD-OLZOCXBDSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001008531198 657048005 /nfs/dbraw/zinc/04/80/05/657048005.db2.gz KRVWTDKLPGADCD-OLZOCXBDSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[NH+]1CCC[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001008531198 657048015 /nfs/dbraw/zinc/04/80/15/657048015.db2.gz KRVWTDKLPGADCD-OLZOCXBDSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[NH+]1CCC[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001008531198 657048024 /nfs/dbraw/zinc/04/80/24/657048024.db2.gz KRVWTDKLPGADCD-OLZOCXBDSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001008530622 657048209 /nfs/dbraw/zinc/04/82/09/657048209.db2.gz BEKYWKWLSFNNDU-STQMWFEESA-N 2 2 296.415 -0.345 20 0 CBADLP CNC(=O)C[N@H+]1CCC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001008530622 657048213 /nfs/dbraw/zinc/04/82/13/657048213.db2.gz BEKYWKWLSFNNDU-STQMWFEESA-N 2 2 296.415 -0.345 20 0 CBADLP CNC(=O)C[NH+]1CCC[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001008530622 657048215 /nfs/dbraw/zinc/04/82/15/657048215.db2.gz BEKYWKWLSFNNDU-STQMWFEESA-N 2 2 296.415 -0.345 20 0 CBADLP CNC(=O)C[NH+]1CCC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001008530622 657048218 /nfs/dbraw/zinc/04/82/18/657048218.db2.gz BEKYWKWLSFNNDU-STQMWFEESA-N 2 2 296.415 -0.345 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001009227667 657070537 /nfs/dbraw/zinc/07/05/37/657070537.db2.gz VWFRNPJIDZHQAF-NEPJUHHUSA-N 2 2 294.399 -0.463 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001009227667 657070541 /nfs/dbraw/zinc/07/05/41/657070541.db2.gz VWFRNPJIDZHQAF-NEPJUHHUSA-N 2 2 294.399 -0.463 20 0 CBADLP O=C(C[NH+]1CCCC1)N[C@@H]1CCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001009518660 657076975 /nfs/dbraw/zinc/07/69/75/657076975.db2.gz RQRSYLPJFFOAMM-CHWSQXEVSA-N 2 2 294.399 -0.449 20 0 CBADLP O=C(C[NH+]1CCCC1)N[C@@H]1CCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001009518660 657076978 /nfs/dbraw/zinc/07/69/78/657076978.db2.gz RQRSYLPJFFOAMM-CHWSQXEVSA-N 2 2 294.399 -0.449 20 0 CBADLP O=C(NCCCN1CC[NH2+]CC1)[C@H]1CCc2c[nH+]cn2C1 ZINC000911628220 657089232 /nfs/dbraw/zinc/08/92/32/657089232.db2.gz JFKSXUNOIIOHSY-ZDUSSCGKSA-N 2 2 291.399 -0.143 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCN1CC[NH2+]CC1 ZINC000911696162 657104743 /nfs/dbraw/zinc/10/47/43/657104743.db2.gz RPTFCVFMDUVTCB-LLVKDONJSA-N 2 2 265.361 -0.390 20 0 CBADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCN1CC[NH2+]CC1 ZINC000911696162 657104750 /nfs/dbraw/zinc/10/47/50/657104750.db2.gz RPTFCVFMDUVTCB-LLVKDONJSA-N 2 2 265.361 -0.390 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000911775506 657125331 /nfs/dbraw/zinc/12/53/31/657125331.db2.gz QKPLEIHBHZDTPI-GFCCVEGCSA-N 2 2 279.388 -0.048 20 0 CBADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000911775506 657125334 /nfs/dbraw/zinc/12/53/34/657125334.db2.gz QKPLEIHBHZDTPI-GFCCVEGCSA-N 2 2 279.388 -0.048 20 0 CBADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000911775507 657126175 /nfs/dbraw/zinc/12/61/75/657126175.db2.gz QKPLEIHBHZDTPI-LBPRGKRZSA-N 2 2 279.388 -0.048 20 0 CBADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000911775507 657126179 /nfs/dbraw/zinc/12/61/79/657126179.db2.gz QKPLEIHBHZDTPI-LBPRGKRZSA-N 2 2 279.388 -0.048 20 0 CBADLP CN(CCN1CC[NH2+]CC1)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000911776824 657127315 /nfs/dbraw/zinc/12/73/15/657127315.db2.gz YRWVWLCVGCHQRQ-ZDUSSCGKSA-N 2 2 291.399 -0.191 20 0 CBADLP CN1CCN(C(=O)C[C@H]([NH3+])C(F)F)[C@H](C[NH3+])C1 ZINC000911880640 657155840 /nfs/dbraw/zinc/15/58/40/657155840.db2.gz WSLHWWLSTBHPLQ-SFYZADRCSA-N 2 2 250.293 -0.930 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC(=O)NC2CC2)C1 ZINC001010370174 657165268 /nfs/dbraw/zinc/16/52/68/657165268.db2.gz UHTDBZOWFQVQDX-OLZOCXBDSA-N 2 2 294.399 -0.450 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC(=O)NC2CC2)C1 ZINC001010370174 657165274 /nfs/dbraw/zinc/16/52/74/657165274.db2.gz UHTDBZOWFQVQDX-OLZOCXBDSA-N 2 2 294.399 -0.450 20 0 CBADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001010370174 657165284 /nfs/dbraw/zinc/16/52/84/657165284.db2.gz UHTDBZOWFQVQDX-OLZOCXBDSA-N 2 2 294.399 -0.450 20 0 CBADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001010370174 657165293 /nfs/dbraw/zinc/16/52/93/657165293.db2.gz UHTDBZOWFQVQDX-OLZOCXBDSA-N 2 2 294.399 -0.450 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001010368474 657165510 /nfs/dbraw/zinc/16/55/10/657165510.db2.gz DSUIDFGHYOOOBU-WDEREUQCSA-N 2 2 268.361 -0.983 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001010368474 657165513 /nfs/dbraw/zinc/16/55/13/657165513.db2.gz DSUIDFGHYOOOBU-WDEREUQCSA-N 2 2 268.361 -0.983 20 0 CBADLP CNC(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001010368474 657165517 /nfs/dbraw/zinc/16/55/17/657165517.db2.gz DSUIDFGHYOOOBU-WDEREUQCSA-N 2 2 268.361 -0.983 20 0 CBADLP CNC(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001010368474 657165521 /nfs/dbraw/zinc/16/55/21/657165521.db2.gz DSUIDFGHYOOOBU-WDEREUQCSA-N 2 2 268.361 -0.983 20 0 CBADLP C/C=C/[C@H](O)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000912387613 657246374 /nfs/dbraw/zinc/24/63/74/657246374.db2.gz QEENIKDNJMNRJM-PZBABLGHSA-N 2 2 257.378 -0.077 20 0 CBADLP C/C=C/[C@H](O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000912387613 657246385 /nfs/dbraw/zinc/24/63/85/657246385.db2.gz QEENIKDNJMNRJM-PZBABLGHSA-N 2 2 257.378 -0.077 20 0 CBADLP Cn1cc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)n(C)c1=O ZINC000912387488 657247744 /nfs/dbraw/zinc/24/77/44/657247744.db2.gz QCRKUDLNFLWYFN-UHFFFAOYSA-N 2 2 297.403 -0.663 20 0 CBADLP Cn1cc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)n(C)c1=O ZINC000912387488 657247763 /nfs/dbraw/zinc/24/77/63/657247763.db2.gz QCRKUDLNFLWYFN-UHFFFAOYSA-N 2 2 297.403 -0.663 20 0 CBADLP CN(CC[N@H+](C)CCO)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000912598864 657288315 /nfs/dbraw/zinc/28/83/15/657288315.db2.gz IMJISDUPNRRIQZ-LBPRGKRZSA-N 2 2 280.372 -0.172 20 0 CBADLP CN(CC[N@@H+](C)CCO)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000912598864 657288321 /nfs/dbraw/zinc/28/83/21/657288321.db2.gz IMJISDUPNRRIQZ-LBPRGKRZSA-N 2 2 280.372 -0.172 20 0 CBADLP C[N@@H+]1CCN(C(=O)C2CC[NH+](C3CC3)CC2)[C@@H](CO)C1 ZINC000912738702 657327622 /nfs/dbraw/zinc/32/76/22/657327622.db2.gz IQANLJYCQATXPC-CQSZACIVSA-N 2 2 281.400 -0.004 20 0 CBADLP C[N@H+]1CCN(C(=O)C2CC[NH+](C3CC3)CC2)[C@@H](CO)C1 ZINC000912738702 657327631 /nfs/dbraw/zinc/32/76/31/657327631.db2.gz IQANLJYCQATXPC-CQSZACIVSA-N 2 2 281.400 -0.004 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001014485918 657362840 /nfs/dbraw/zinc/36/28/40/657362840.db2.gz XFKFDHYWCFAFQG-IJLUTSLNSA-N 2 2 282.388 -0.737 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001014485918 657362845 /nfs/dbraw/zinc/36/28/45/657362845.db2.gz XFKFDHYWCFAFQG-IJLUTSLNSA-N 2 2 282.388 -0.737 20 0 CBADLP CNC(=O)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001014485918 657362852 /nfs/dbraw/zinc/36/28/52/657362852.db2.gz XFKFDHYWCFAFQG-IJLUTSLNSA-N 2 2 282.388 -0.737 20 0 CBADLP CNC(=O)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001014485918 657362858 /nfs/dbraw/zinc/36/28/58/657362858.db2.gz XFKFDHYWCFAFQG-IJLUTSLNSA-N 2 2 282.388 -0.737 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[NH+](CC(=O)NC)C2)CC[N@@H+]1C ZINC001014510076 657365327 /nfs/dbraw/zinc/36/53/27/657365327.db2.gz VINWIWVMNIFDSO-FRRDWIJNSA-N 2 2 296.415 -0.347 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[NH+](CC(=O)NC)C2)CC[N@H+]1C ZINC001014510076 657365332 /nfs/dbraw/zinc/36/53/32/657365332.db2.gz VINWIWVMNIFDSO-FRRDWIJNSA-N 2 2 296.415 -0.347 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[N@H+](CC(=O)NC)C2)CC[NH+]1C ZINC001014510076 657365338 /nfs/dbraw/zinc/36/53/38/657365338.db2.gz VINWIWVMNIFDSO-FRRDWIJNSA-N 2 2 296.415 -0.347 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC)C2)CC[NH+]1C ZINC001014510076 657365344 /nfs/dbraw/zinc/36/53/44/657365344.db2.gz VINWIWVMNIFDSO-FRRDWIJNSA-N 2 2 296.415 -0.347 20 0 CBADLP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC(=O)NC)C1 ZINC001014636652 657372362 /nfs/dbraw/zinc/37/23/62/657372362.db2.gz ZSAMPOBJFUYPFM-STQMWFEESA-N 2 2 296.415 -0.203 20 0 CBADLP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC(=O)NC)C1 ZINC001014636652 657372366 /nfs/dbraw/zinc/37/23/66/657372366.db2.gz ZSAMPOBJFUYPFM-STQMWFEESA-N 2 2 296.415 -0.203 20 0 CBADLP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC(=O)NC)C1 ZINC001014636652 657372375 /nfs/dbraw/zinc/37/23/75/657372375.db2.gz ZSAMPOBJFUYPFM-STQMWFEESA-N 2 2 296.415 -0.203 20 0 CBADLP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001014636652 657372383 /nfs/dbraw/zinc/37/23/83/657372383.db2.gz ZSAMPOBJFUYPFM-STQMWFEESA-N 2 2 296.415 -0.203 20 0 CBADLP O=C(N[C@H]1CC[N@@H+](CCO)C1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001014999554 657396968 /nfs/dbraw/zinc/39/69/68/657396968.db2.gz JSDVTLXMRLQWOJ-NEPJUHHUSA-N 2 2 278.356 -0.372 20 0 CBADLP O=C(N[C@H]1CC[N@H+](CCO)C1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001014999554 657396974 /nfs/dbraw/zinc/39/69/74/657396974.db2.gz JSDVTLXMRLQWOJ-NEPJUHHUSA-N 2 2 278.356 -0.372 20 0 CBADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2CC[N@H+](CCCO)C2)no1 ZINC001015025783 657398093 /nfs/dbraw/zinc/39/80/93/657398093.db2.gz BVPOAUVAMRGLHE-LLVKDONJSA-N 2 2 296.371 -0.077 20 0 CBADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2CC[N@@H+](CCCO)C2)no1 ZINC001015025783 657398095 /nfs/dbraw/zinc/39/80/95/657398095.db2.gz BVPOAUVAMRGLHE-LLVKDONJSA-N 2 2 296.371 -0.077 20 0 CBADLP CC(C)(C)[N@@H+]1CC[C@H]1C(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC000913183702 657405450 /nfs/dbraw/zinc/40/54/50/657405450.db2.gz KAHVVFKVWSLKED-FZMZJTMJSA-N 2 2 285.388 -0.674 20 0 CBADLP CC(C)(C)[N@H+]1CC[C@H]1C(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC000913183702 657405453 /nfs/dbraw/zinc/40/54/53/657405453.db2.gz KAHVVFKVWSLKED-FZMZJTMJSA-N 2 2 285.388 -0.674 20 0 CBADLP Cc1[nH+]ccn1CCCC(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC000913190523 657416533 /nfs/dbraw/zinc/41/65/33/657416533.db2.gz KWNHQBGHBDMNOL-CQSZACIVSA-N 2 2 296.371 -0.561 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001015288803 657428055 /nfs/dbraw/zinc/42/80/55/657428055.db2.gz GLEQCEOMBXEWDN-NWDGAFQWSA-N 2 2 293.371 -0.354 20 0 CBADLP CC[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001015288803 657428075 /nfs/dbraw/zinc/42/80/75/657428075.db2.gz GLEQCEOMBXEWDN-NWDGAFQWSA-N 2 2 293.371 -0.354 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001015291485 657429898 /nfs/dbraw/zinc/42/98/98/657429898.db2.gz VHMPXGWIQBMDGI-QWRGUYRKSA-N 2 2 279.344 -0.744 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001015291485 657429903 /nfs/dbraw/zinc/42/99/03/657429903.db2.gz VHMPXGWIQBMDGI-QWRGUYRKSA-N 2 2 279.344 -0.744 20 0 CBADLP C[NH+](C)Cc1ccc(C(=O)N2CC[N@H+](C)[C@@H](CO)C2)cn1 ZINC000913543211 657512432 /nfs/dbraw/zinc/51/24/32/657512432.db2.gz BTWXYQSJETYWSC-CQSZACIVSA-N 2 2 292.383 -0.108 20 0 CBADLP C[NH+](C)Cc1ccc(C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)cn1 ZINC000913543211 657512451 /nfs/dbraw/zinc/51/24/51/657512451.db2.gz BTWXYQSJETYWSC-CQSZACIVSA-N 2 2 292.383 -0.108 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001015705182 657523050 /nfs/dbraw/zinc/52/30/50/657523050.db2.gz IPVQTCFUYGUAGL-VXGBXAGGSA-N 2 2 282.388 -0.735 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001015705182 657523065 /nfs/dbraw/zinc/52/30/65/657523065.db2.gz IPVQTCFUYGUAGL-VXGBXAGGSA-N 2 2 282.388 -0.735 20 0 CBADLP CNC(=O)C[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001015705182 657523078 /nfs/dbraw/zinc/52/30/78/657523078.db2.gz IPVQTCFUYGUAGL-VXGBXAGGSA-N 2 2 282.388 -0.735 20 0 CBADLP CNC(=O)C[NH+]1CC[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001015705182 657523084 /nfs/dbraw/zinc/52/30/84/657523084.db2.gz IPVQTCFUYGUAGL-VXGBXAGGSA-N 2 2 282.388 -0.735 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001015704970 657524068 /nfs/dbraw/zinc/52/40/68/657524068.db2.gz GPPYDBFXOHTXQO-LBPRGKRZSA-N 2 2 296.415 -0.345 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001015704970 657524088 /nfs/dbraw/zinc/52/40/88/657524088.db2.gz GPPYDBFXOHTXQO-LBPRGKRZSA-N 2 2 296.415 -0.345 20 0 CBADLP CNC(=O)C[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001015704970 657524095 /nfs/dbraw/zinc/52/40/95/657524095.db2.gz GPPYDBFXOHTXQO-LBPRGKRZSA-N 2 2 296.415 -0.345 20 0 CBADLP CNC(=O)C[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001015704970 657524101 /nfs/dbraw/zinc/52/41/01/657524101.db2.gz GPPYDBFXOHTXQO-LBPRGKRZSA-N 2 2 296.415 -0.345 20 0 CBADLP C[NH+]1CCCC[C@@H]1C(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000913549211 657531175 /nfs/dbraw/zinc/53/11/75/657531175.db2.gz XUWKTWIATOQZBL-VXGBXAGGSA-N 2 2 255.362 -0.394 20 0 CBADLP C[NH+]1CCCC[C@@H]1C(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000913549211 657531189 /nfs/dbraw/zinc/53/11/89/657531189.db2.gz XUWKTWIATOQZBL-VXGBXAGGSA-N 2 2 255.362 -0.394 20 0 CBADLP C[NH+]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@@H]1CO ZINC000913549211 657531202 /nfs/dbraw/zinc/53/12/02/657531202.db2.gz XUWKTWIATOQZBL-VXGBXAGGSA-N 2 2 255.362 -0.394 20 0 CBADLP C[NH+]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@@H]1CO ZINC000913549211 657531218 /nfs/dbraw/zinc/53/12/18/657531218.db2.gz XUWKTWIATOQZBL-VXGBXAGGSA-N 2 2 255.362 -0.394 20 0 CBADLP CC(C)[C@@H](C(=O)N1CC[N@H+](C)[C@H](CO)C1)[NH+](C)C ZINC000913548342 657536257 /nfs/dbraw/zinc/53/62/57/657536257.db2.gz KKYDMNKTOPRTKG-RYUDHWBXSA-N 2 2 257.378 -0.293 20 0 CBADLP CC(C)[C@@H](C(=O)N1CC[N@@H+](C)[C@H](CO)C1)[NH+](C)C ZINC000913548342 657536262 /nfs/dbraw/zinc/53/62/62/657536262.db2.gz KKYDMNKTOPRTKG-RYUDHWBXSA-N 2 2 257.378 -0.293 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)NC23CC[NH+](CC2)C3)[N@H+](C)C1 ZINC000913634449 657568481 /nfs/dbraw/zinc/56/84/81/657568481.db2.gz PYXVKSSRGZSDMT-QWRGUYRKSA-N 2 2 253.346 -0.330 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)NC23CC[NH+](CC2)C3)[N@@H+](C)C1 ZINC000913634449 657568507 /nfs/dbraw/zinc/56/85/07/657568507.db2.gz PYXVKSSRGZSDMT-QWRGUYRKSA-N 2 2 253.346 -0.330 20 0 CBADLP O=C(/C=C\C[NH+]1CCOCC1)NC12CC[NH+](CC1)C2 ZINC000913634517 657571314 /nfs/dbraw/zinc/57/13/14/657571314.db2.gz SKRIYEQLFFFXIE-UPHRSURJSA-N 2 2 265.357 -0.161 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[N@H+](CCCO)C1 ZINC001016001244 657628223 /nfs/dbraw/zinc/62/82/23/657628223.db2.gz JPOWDNNUKISDJS-LLVKDONJSA-N 2 2 266.345 -0.465 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[N@@H+](CCCO)C1 ZINC001016001244 657628228 /nfs/dbraw/zinc/62/82/28/657628228.db2.gz JPOWDNNUKISDJS-LLVKDONJSA-N 2 2 266.345 -0.465 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001016000929 657628721 /nfs/dbraw/zinc/62/87/21/657628721.db2.gz GOKOSPCGWIILSC-ZYHUDNBSSA-N 2 2 293.371 -0.583 20 0 CBADLP CC[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001016000929 657628729 /nfs/dbraw/zinc/62/87/29/657628729.db2.gz GOKOSPCGWIILSC-ZYHUDNBSSA-N 2 2 293.371 -0.583 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001016003579 657628983 /nfs/dbraw/zinc/62/89/83/657628983.db2.gz KJJKPYILZBAUPS-QWRGUYRKSA-N 2 2 280.372 -0.854 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001016003579 657628988 /nfs/dbraw/zinc/62/89/88/657628988.db2.gz KJJKPYILZBAUPS-QWRGUYRKSA-N 2 2 280.372 -0.854 20 0 CBADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC(=O)NC)C1 ZINC001016340714 657694730 /nfs/dbraw/zinc/69/47/30/657694730.db2.gz YYLNPOFHVFLESM-QWHCGFSZSA-N 2 2 296.415 -0.203 20 0 CBADLP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC(=O)NC)C1 ZINC001016340714 657694738 /nfs/dbraw/zinc/69/47/38/657694738.db2.gz YYLNPOFHVFLESM-QWHCGFSZSA-N 2 2 296.415 -0.203 20 0 CBADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC(=O)NC)C1 ZINC001016340714 657694749 /nfs/dbraw/zinc/69/47/49/657694749.db2.gz YYLNPOFHVFLESM-QWHCGFSZSA-N 2 2 296.415 -0.203 20 0 CBADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001016340714 657694765 /nfs/dbraw/zinc/69/47/65/657694765.db2.gz YYLNPOFHVFLESM-QWHCGFSZSA-N 2 2 296.415 -0.203 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@@H+](CCCO)C1 ZINC001016396043 657697463 /nfs/dbraw/zinc/69/74/63/657697463.db2.gz BKLMMMRAZMCORP-LLVKDONJSA-N 2 2 252.318 -0.544 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@H+](CCCO)C1 ZINC001016396043 657697471 /nfs/dbraw/zinc/69/74/71/657697471.db2.gz BKLMMMRAZMCORP-LLVKDONJSA-N 2 2 252.318 -0.544 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC12CC[NH+](CCO)CC2 ZINC001016995515 657743551 /nfs/dbraw/zinc/74/35/51/657743551.db2.gz RNDJUTSHWNQJNI-LBPRGKRZSA-N 2 2 278.356 -0.154 20 0 CBADLP O=C(CCc1[nH]cc[nH+]1)N1CC[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001018783761 657845286 /nfs/dbraw/zinc/84/52/86/657845286.db2.gz UNLNLKHSTZDTQD-WDEREUQCSA-N 2 2 291.355 -0.579 20 0 CBADLP CC[C@@H]([NH2+][C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1)C(N)=O ZINC001018784989 657845355 /nfs/dbraw/zinc/84/53/55/657845355.db2.gz UITYADMGJBVDEQ-WDEREUQCSA-N 2 2 293.371 -0.203 20 0 CBADLP NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001018994299 657856747 /nfs/dbraw/zinc/85/67/47/657856747.db2.gz PXFILFYCBBBUSP-IVZWLZJFSA-N 2 2 277.328 -0.811 20 0 CBADLP C[N@@H+]1CC[C@@H](NC(=S)NCCC[NH+]2CCOCC2)C1 ZINC000919717671 657857896 /nfs/dbraw/zinc/85/78/96/657857896.db2.gz WESIBVOALNRSIA-GFCCVEGCSA-N 2 2 286.445 -0.123 20 0 CBADLP C[N@H+]1CC[C@@H](NC(=S)NCCC[NH+]2CCOCC2)C1 ZINC000919717671 657857897 /nfs/dbraw/zinc/85/78/97/657857897.db2.gz WESIBVOALNRSIA-GFCCVEGCSA-N 2 2 286.445 -0.123 20 0 CBADLP C[C@@H](CNC(=O)NC[C@@H]1CC[N@@H+]1C)C[NH+]1CCOCC1 ZINC000919731843 657859216 /nfs/dbraw/zinc/85/92/16/657859216.db2.gz BEWRHBVUKVVDQC-STQMWFEESA-N 2 2 284.404 -0.042 20 0 CBADLP C[C@@H](CNC(=O)NC[C@@H]1CC[N@H+]1C)C[NH+]1CCOCC1 ZINC000919731843 657859220 /nfs/dbraw/zinc/85/92/20/657859220.db2.gz BEWRHBVUKVVDQC-STQMWFEESA-N 2 2 284.404 -0.042 20 0 CBADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1CC[C@H]([NH2+]CCO)C1 ZINC001019060775 657861109 /nfs/dbraw/zinc/86/11/09/657861109.db2.gz GDVZEUCPZQHRHK-RYUDHWBXSA-N 2 2 278.356 -0.372 20 0 CBADLP C[C@H]([NH2+][C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1)C(N)=O ZINC001019181757 657869183 /nfs/dbraw/zinc/86/91/83/657869183.db2.gz UZOWXPMIFKSEJZ-QWRGUYRKSA-N 2 2 293.371 -0.583 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001019438940 657894928 /nfs/dbraw/zinc/89/49/28/657894928.db2.gz WTGOMRBMQFIIQG-CMPLNLGQSA-N 2 2 291.355 -0.579 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001019438941 657895294 /nfs/dbraw/zinc/89/52/94/657895294.db2.gz WTGOMRBMQFIIQG-JQWIXIFHSA-N 2 2 291.355 -0.579 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H]([NH2+]CC(N)=O)C1 ZINC001019492545 657899679 /nfs/dbraw/zinc/89/96/79/657899679.db2.gz WOXXDMICOLEHIR-ZJUUUORDSA-N 2 2 279.344 -0.736 20 0 CBADLP C[C@H](O)C[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001019566092 657913131 /nfs/dbraw/zinc/91/31/31/657913131.db2.gz QXXYCMCSWCNMJY-UWVGGRQHSA-N 2 2 252.318 -0.477 20 0 CBADLP C[C@H](NC(=O)NC[C@@H]1CC[N@@H+]1C)[C@H]1C[NH+](C)CCO1 ZINC000921553631 657917507 /nfs/dbraw/zinc/91/75/07/657917507.db2.gz KHWGXBVGOZBSKM-SDDRHHMPSA-N 2 2 270.377 -0.291 20 0 CBADLP C[C@H](NC(=O)NC[C@@H]1CC[N@H+]1C)[C@H]1C[NH+](C)CCO1 ZINC000921553631 657917519 /nfs/dbraw/zinc/91/75/19/657917519.db2.gz KHWGXBVGOZBSKM-SDDRHHMPSA-N 2 2 270.377 -0.291 20 0 CBADLP C[C@H](NC(=O)NC[C@@H]1CC[NH+]1C)[C@H]1C[N@H+](C)CCO1 ZINC000921553631 657917524 /nfs/dbraw/zinc/91/75/24/657917524.db2.gz KHWGXBVGOZBSKM-SDDRHHMPSA-N 2 2 270.377 -0.291 20 0 CBADLP C[C@H](NC(=O)NC[C@@H]1CC[NH+]1C)[C@H]1C[N@@H+](C)CCO1 ZINC000921553631 657917531 /nfs/dbraw/zinc/91/75/31/657917531.db2.gz KHWGXBVGOZBSKM-SDDRHHMPSA-N 2 2 270.377 -0.291 20 0 CBADLP C[C@H]([NH2+][C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1)C(N)=O ZINC001019654779 657927129 /nfs/dbraw/zinc/92/71/29/657927129.db2.gz BNRUELXKUARCII-UWVGGRQHSA-N 2 2 279.344 -0.973 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N1CC[C@H]([NH2+]Cc2cnon2)C1 ZINC001019778202 657937122 /nfs/dbraw/zinc/93/71/22/657937122.db2.gz TYDHPMFABYLEDY-NSHDSACASA-N 2 2 290.327 -0.035 20 0 CBADLP O=C(C[NH+]1CCCC1)N1CC[C@H]([NH2+]Cc2cnon2)C1 ZINC001019774779 657939528 /nfs/dbraw/zinc/93/95/28/657939528.db2.gz IAEXZHKDIJHLFX-NSHDSACASA-N 2 2 279.344 -0.144 20 0 CBADLP Cn1nnc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)n1 ZINC001020026277 657989316 /nfs/dbraw/zinc/98/93/16/657989316.db2.gz NQPMAOXCVZPYGE-GMTAPVOTSA-N 2 2 293.375 -0.959 20 0 CBADLP Cn1nnc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)n1 ZINC001020026277 657989333 /nfs/dbraw/zinc/98/93/33/657989333.db2.gz NQPMAOXCVZPYGE-GMTAPVOTSA-N 2 2 293.375 -0.959 20 0 CBADLP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1)C(N)=O ZINC001020256398 658032212 /nfs/dbraw/zinc/03/22/12/658032212.db2.gz ZKDAPRXEMCNLTQ-ISUQUUIWSA-N 2 2 291.355 -0.376 20 0 CBADLP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1)C(N)=O ZINC001020256398 658032226 /nfs/dbraw/zinc/03/22/26/658032226.db2.gz ZKDAPRXEMCNLTQ-ISUQUUIWSA-N 2 2 291.355 -0.376 20 0 CBADLP Cc1cn(C(C)(C)C(=O)N[C@H]2C[C@H]([NH2+]CC(N)=O)C2)c[nH+]1 ZINC001020286221 658035787 /nfs/dbraw/zinc/03/57/87/658035787.db2.gz XEWAFUISRGENTL-XYPYZODXSA-N 2 2 293.371 -0.351 20 0 CBADLP O=C(N[C@H]1C[C@H]([NH2+]CCO)C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001020312848 658037057 /nfs/dbraw/zinc/03/70/57/658037057.db2.gz VTKYNFHNDHETOP-IJLUTSLNSA-N 2 2 278.356 -0.325 20 0 CBADLP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1)C(N)=O ZINC001020818591 658094567 /nfs/dbraw/zinc/09/45/67/658094567.db2.gz UHCVIHGZPJRCGZ-CIUDSAMLSA-N 2 2 265.317 -0.937 20 0 CBADLP CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)C1)C(N)=O ZINC001020930511 658119139 /nfs/dbraw/zinc/11/91/39/658119139.db2.gz WEDWVIJYQPOUKZ-NHCYSSNCSA-N 2 2 293.371 -0.537 20 0 CBADLP CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1)C(N)=O ZINC001020982007 658127440 /nfs/dbraw/zinc/12/74/40/658127440.db2.gz WRHVUQUGOPYNSF-GMTAPVOTSA-N 2 2 293.371 -0.239 20 0 CBADLP O=C(N[C@H]1C[C@H]([NH2+]CCO)C1)[C@@H](C1CC1)[NH+]1CCOCC1 ZINC001021081099 658146457 /nfs/dbraw/zinc/14/64/57/658146457.db2.gz VUAGNGAYKLTIAF-MGPQQGTHSA-N 2 2 297.399 -0.674 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@H]([NH2+]CCn2cncn2)C1 ZINC001021128549 658154115 /nfs/dbraw/zinc/15/41/15/658154115.db2.gz DBJZUALSNZLVSD-HAQNSBGRSA-N 2 2 289.343 -0.588 20 0 CBADLP Cn1cc(CN2CC[NH+]([C@H]3C[C@H]([NH3+])C[C@@H]3O)CC2)cn1 ZINC000923328670 658217367 /nfs/dbraw/zinc/21/73/67/658217367.db2.gz WUYBTCWYGITONW-IHRRRGAJSA-N 2 2 279.388 -0.612 20 0 CBADLP COC(=O)[C@@H]1C[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC000923369317 658238996 /nfs/dbraw/zinc/23/89/96/658238996.db2.gz IJWSWUVXWHREFV-QWRGUYRKSA-N 2 2 270.329 -0.761 20 0 CBADLP COC(=O)[C@@H]1C[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC000923369317 658239044 /nfs/dbraw/zinc/23/90/44/658239044.db2.gz IJWSWUVXWHREFV-QWRGUYRKSA-N 2 2 270.329 -0.761 20 0 CBADLP COC[C@H](C)OC[C@H](O)C[N@@H+]1CC2CC1(C[NH3+])C2 ZINC000923390489 658250487 /nfs/dbraw/zinc/25/04/87/658250487.db2.gz HXDCLASCFNMNOV-GMKTYKIGSA-N 2 2 258.362 -0.178 20 0 CBADLP COC[C@H](C)OC[C@H](O)C[N@H+]1CC2CC1(C[NH3+])C2 ZINC000923390489 658250497 /nfs/dbraw/zinc/25/04/97/658250497.db2.gz HXDCLASCFNMNOV-GMKTYKIGSA-N 2 2 258.362 -0.178 20 0 CBADLP NC(=O)c1cccc2c1CC[N@@H+]([C@H]1C[C@H]([NH3+])C[C@@H]1O)C2 ZINC000923397334 658254725 /nfs/dbraw/zinc/25/47/25/658254725.db2.gz LRZXYOSNKAALFB-BPNCWPANSA-N 2 2 275.352 -0.006 20 0 CBADLP NC(=O)c1cccc2c1CC[N@H+]([C@H]1C[C@H]([NH3+])C[C@@H]1O)C2 ZINC000923397334 658254754 /nfs/dbraw/zinc/25/47/54/658254754.db2.gz LRZXYOSNKAALFB-BPNCWPANSA-N 2 2 275.352 -0.006 20 0 CBADLP CCc1nc([C@@H](C)N2CC[NH2+]CC[NH2+]CC2)n[nH]1 ZINC000923460827 658290696 /nfs/dbraw/zinc/29/06/96/658290696.db2.gz WLBMGEBBJPMPJE-SNVBAGLBSA-N 2 2 252.366 -0.077 20 0 CBADLP [NH3+][C@]1(CO)CCC[N@H+](C[C@@H](O)Cn2cccn2)C1 ZINC000923474278 658299961 /nfs/dbraw/zinc/29/99/61/658299961.db2.gz ZUGDLCXYSWSSDG-VXGBXAGGSA-N 2 2 254.334 -0.970 20 0 CBADLP [NH3+][C@]1(CO)CCC[N@@H+](C[C@@H](O)Cn2cccn2)C1 ZINC000923474278 658299976 /nfs/dbraw/zinc/29/99/76/658299976.db2.gz ZUGDLCXYSWSSDG-VXGBXAGGSA-N 2 2 254.334 -0.970 20 0 CBADLP CC[C@@H]1CN(S(=O)(=O)C2C[NH2+]C2)CC[N@@H+]1CCOC ZINC000923611286 658353029 /nfs/dbraw/zinc/35/30/29/658353029.db2.gz CJULRPCZBZZPDO-LLVKDONJSA-N 2 2 291.417 -0.669 20 0 CBADLP CC[C@@H]1CN(S(=O)(=O)C2C[NH2+]C2)CC[N@H+]1CCOC ZINC000923611286 658353040 /nfs/dbraw/zinc/35/30/40/658353040.db2.gz CJULRPCZBZZPDO-LLVKDONJSA-N 2 2 291.417 -0.669 20 0 CBADLP CC(C)C[C@@H]1C[N@@H+](C)CCN1S(=O)(=O)C1C[NH2+]C1 ZINC000923749134 658442892 /nfs/dbraw/zinc/44/28/92/658442892.db2.gz WRXNXTJQPLFVCB-LLVKDONJSA-N 2 2 275.418 -0.050 20 0 CBADLP CC[N@@H+]1CCO[C@@H](CN2C(=O)N[C@H](C[NH+](C)C)C2=O)C1 ZINC000924606099 658621678 /nfs/dbraw/zinc/62/16/78/658621678.db2.gz AOZHOAZSNJTASD-GHMZBOCLSA-N 2 2 284.360 -0.811 20 0 CBADLP CC[N@H+]1CCO[C@@H](CN2C(=O)N[C@H](C[NH+](C)C)C2=O)C1 ZINC000924606099 658621690 /nfs/dbraw/zinc/62/16/90/658621690.db2.gz AOZHOAZSNJTASD-GHMZBOCLSA-N 2 2 284.360 -0.811 20 0 CBADLP C/C(=C\C(=O)NC[C@@H]1C[C@H](O)C[N@H+]1C)C[NH+]1CCOCC1 ZINC000924976487 658674928 /nfs/dbraw/zinc/67/49/28/658674928.db2.gz MBPROGUUDQVOKR-DUYRLRNSSA-N 2 2 297.399 -0.554 20 0 CBADLP C/C(=C\C(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1C)C[NH+]1CCOCC1 ZINC000924976487 658674935 /nfs/dbraw/zinc/67/49/35/658674935.db2.gz MBPROGUUDQVOKR-DUYRLRNSSA-N 2 2 297.399 -0.554 20 0 CBADLP CC1(C)CNC(=O)[C@@H]1[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000924967703 658677338 /nfs/dbraw/zinc/67/73/38/658677338.db2.gz YFQWWBOJOUHFJG-WOPDTQHZSA-N 2 2 267.373 -0.036 20 0 CBADLP CC1(C)CNC(=O)[C@@H]1[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000924967703 658677345 /nfs/dbraw/zinc/67/73/45/658677345.db2.gz YFQWWBOJOUHFJG-WOPDTQHZSA-N 2 2 267.373 -0.036 20 0 CBADLP C[N@@H+]1C[C@H](O)C[C@@H]1CNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000924981826 658687898 /nfs/dbraw/zinc/68/78/98/658687898.db2.gz OTHYIZCTHOPNBM-XCUNLHGCSA-N 2 2 283.372 -0.944 20 0 CBADLP C[N@H+]1C[C@H](O)C[C@@H]1CNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000924981826 658687918 /nfs/dbraw/zinc/68/79/18/658687918.db2.gz OTHYIZCTHOPNBM-XCUNLHGCSA-N 2 2 283.372 -0.944 20 0 CBADLP O=C(N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21)[C@H]1CCc2c[nH+]cn2C1 ZINC000960652673 658805628 /nfs/dbraw/zinc/80/56/28/658805628.db2.gz XTJWFVYOYRUGGW-SCUASFONSA-N 2 2 290.367 -0.516 20 0 CBADLP O=C(N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21)[C@H]1CCc2c[nH+]cn2C1 ZINC000960652673 658805633 /nfs/dbraw/zinc/80/56/33/658805633.db2.gz XTJWFVYOYRUGGW-SCUASFONSA-N 2 2 290.367 -0.516 20 0 CBADLP NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn2c[nH+]cc2c1 ZINC000960840305 658809343 /nfs/dbraw/zinc/80/93/43/658809343.db2.gz WKLLHWXDXMQJKS-IMRBUKKESA-N 2 2 299.334 -0.520 20 0 CBADLP NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn2c[nH+]cc2c1 ZINC000960840305 658809347 /nfs/dbraw/zinc/80/93/47/658809347.db2.gz WKLLHWXDXMQJKS-IMRBUKKESA-N 2 2 299.334 -0.520 20 0 CBADLP C[N@@H+]1CC[C@H]1CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000925411204 658839162 /nfs/dbraw/zinc/83/91/62/658839162.db2.gz MVYDOKXSHPJMIE-QWHCGFSZSA-N 2 2 282.388 -0.193 20 0 CBADLP C[N@H+]1CC[C@H]1CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000925411204 658839164 /nfs/dbraw/zinc/83/91/64/658839164.db2.gz MVYDOKXSHPJMIE-QWHCGFSZSA-N 2 2 282.388 -0.193 20 0 CBADLP CC[C@@H](O)C[NH+]1CCN(C(=O)NC[C@H]2CC[N@@H+]2C)CC1 ZINC000925412638 658842693 /nfs/dbraw/zinc/84/26/93/658842693.db2.gz BZJHSYCXALVHOU-CHWSQXEVSA-N 2 2 284.404 -0.211 20 0 CBADLP CC[C@@H](O)C[NH+]1CCN(C(=O)NC[C@H]2CC[N@H+]2C)CC1 ZINC000925412638 658842695 /nfs/dbraw/zinc/84/26/95/658842695.db2.gz BZJHSYCXALVHOU-CHWSQXEVSA-N 2 2 284.404 -0.211 20 0 CBADLP CN(C(=O)NC[C@@H]1CC[NH+]1C)[C@H]1CC[N@@H+]2CCO[C@H]1C2 ZINC000925425951 658846931 /nfs/dbraw/zinc/84/69/31/658846931.db2.gz XDHHFVASCYGAIU-AVGNSLFASA-N 2 2 282.388 -0.195 20 0 CBADLP CN(C(=O)NC[C@@H]1CC[NH+]1C)[C@H]1CC[N@H+]2CCO[C@H]1C2 ZINC000925425951 658846937 /nfs/dbraw/zinc/84/69/37/658846937.db2.gz XDHHFVASCYGAIU-AVGNSLFASA-N 2 2 282.388 -0.195 20 0 CBADLP CN(C(=O)NC[C@@H]1CC[N@H+]1C)[C@H]1CC[NH+]2CCO[C@H]1C2 ZINC000925425951 658846947 /nfs/dbraw/zinc/84/69/47/658846947.db2.gz XDHHFVASCYGAIU-AVGNSLFASA-N 2 2 282.388 -0.195 20 0 CBADLP CN(C(=O)NC[C@H]1CC[NH+]1C)[C@H]1CC[N@@H+]2CCO[C@H]1C2 ZINC000925425948 658847033 /nfs/dbraw/zinc/84/70/33/658847033.db2.gz XDHHFVASCYGAIU-AGIUHOORSA-N 2 2 282.388 -0.195 20 0 CBADLP CN(C(=O)NC[C@H]1CC[NH+]1C)[C@H]1CC[N@H+]2CCO[C@H]1C2 ZINC000925425948 658847042 /nfs/dbraw/zinc/84/70/42/658847042.db2.gz XDHHFVASCYGAIU-AGIUHOORSA-N 2 2 282.388 -0.195 20 0 CBADLP CN(C(=O)NC[C@H]1CC[N@@H+]1C)[C@H]1CC[NH+]2CCO[C@H]1C2 ZINC000925425948 658847046 /nfs/dbraw/zinc/84/70/46/658847046.db2.gz XDHHFVASCYGAIU-AGIUHOORSA-N 2 2 282.388 -0.195 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1[C@H]2C[N@H+](CCF)C[C@H]21 ZINC000962291247 658849839 /nfs/dbraw/zinc/84/98/39/658849839.db2.gz DZPFAEKYNCMYQD-PJXYFTJBSA-N 2 2 266.320 -0.022 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCF)C[C@H]21 ZINC000962291247 658849844 /nfs/dbraw/zinc/84/98/44/658849844.db2.gz DZPFAEKYNCMYQD-PJXYFTJBSA-N 2 2 266.320 -0.022 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC000962293045 658850578 /nfs/dbraw/zinc/85/05/78/658850578.db2.gz MSTYZPMPTUVZND-IMRBUKKESA-N 2 2 278.356 -0.609 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC000962293045 658850582 /nfs/dbraw/zinc/85/05/82/658850582.db2.gz MSTYZPMPTUVZND-IMRBUKKESA-N 2 2 278.356 -0.609 20 0 CBADLP C[C@H]1C[N@H+](CCO)CCN1C(=O)NC[C@H]1CC[NH+]1C ZINC000925431945 658851440 /nfs/dbraw/zinc/85/14/40/658851440.db2.gz OPWDVCKEVZDRKG-NWDGAFQWSA-N 2 2 270.377 -0.602 20 0 CBADLP C[C@H]1C[N@@H+](CCO)CCN1C(=O)NC[C@H]1CC[NH+]1C ZINC000925431945 658851442 /nfs/dbraw/zinc/85/14/42/658851442.db2.gz OPWDVCKEVZDRKG-NWDGAFQWSA-N 2 2 270.377 -0.602 20 0 CBADLP C[C@H]1C[NH+](CCO)CCN1C(=O)NC[C@H]1CC[N@@H+]1C ZINC000925431945 658851445 /nfs/dbraw/zinc/85/14/45/658851445.db2.gz OPWDVCKEVZDRKG-NWDGAFQWSA-N 2 2 270.377 -0.602 20 0 CBADLP C[C@H]1C[NH+](CCO)CCN1C(=O)NC[C@H]1CC[N@H+]1C ZINC000925431945 658851446 /nfs/dbraw/zinc/85/14/46/658851446.db2.gz OPWDVCKEVZDRKG-NWDGAFQWSA-N 2 2 270.377 -0.602 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC1CC(C[NH2+][C@@H]2CCNC2=O)C1 ZINC000962465583 658854490 /nfs/dbraw/zinc/85/44/90/658854490.db2.gz LPGNSCFWFCSTNB-VQXHTEKXSA-N 2 2 291.355 -0.675 20 0 CBADLP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CNCCOC2)CC1 ZINC000925546786 658858105 /nfs/dbraw/zinc/85/81/05/658858105.db2.gz KPTLNDBEKLUQCN-ZIAGYGMSSA-N 2 2 270.421 -0.410 20 0 CBADLP CNC(=O)C1CCC([NH2+][C@@H]2C[NH2+]CCOC2)CC1 ZINC000925615959 658861596 /nfs/dbraw/zinc/86/15/96/658861596.db2.gz JRSLCNSTMWDVEZ-HTAVTVPLSA-N 2 2 255.362 -0.131 20 0 CBADLP CS(=O)(=O)N1CCC[C@@H]1C[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925606106 658861959 /nfs/dbraw/zinc/86/19/59/658861959.db2.gz HDZJBXXLBVGIOH-VPCRRHSYSA-N 2 2 299.440 -0.004 20 0 CBADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCNC(=O)c1ccn[nH]1 ZINC000925631630 658863196 /nfs/dbraw/zinc/86/31/96/658863196.db2.gz IYALJHKXTPHROD-UWVGGRQHSA-N 2 2 251.334 -0.130 20 0 CBADLP OCC[C@@H]([NH2+][C@@H]1C[NH2+]CCOC1)C1CCOCC1 ZINC000925639824 658863323 /nfs/dbraw/zinc/86/33/23/658863323.db2.gz NLLIBJSMULFGEN-CHWSQXEVSA-N 2 2 258.362 -0.258 20 0 CBADLP NC(=O)C[C@@H]1C[N@H+]([C@@H]2C[C@H]([NH3+])C23CCC3)CCO1 ZINC000925717899 658866603 /nfs/dbraw/zinc/86/66/03/658866603.db2.gz IMBGFCPDAIOZDV-OUAUKWLOSA-N 2 2 253.346 -0.168 20 0 CBADLP NC(=O)C[C@@H]1C[N@@H+]([C@@H]2C[C@H]([NH3+])C23CCC3)CCO1 ZINC000925717899 658866585 /nfs/dbraw/zinc/86/65/85/658866585.db2.gz IMBGFCPDAIOZDV-OUAUKWLOSA-N 2 2 253.346 -0.168 20 0 CBADLP O=C1COC[C@]2(C[NH2+][C@@H]3CC[NH2+]C34CCC4)COCCN12 ZINC000925728390 658868561 /nfs/dbraw/zinc/86/85/61/658868561.db2.gz UESRQCJAYUIRDS-OCCSQVGLSA-N 2 2 295.383 -0.512 20 0 CBADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@@]12COCCN1C(=O)COC2 ZINC000925728889 658868638 /nfs/dbraw/zinc/86/86/38/658868638.db2.gz XRYKEYSOSUALHY-SCRDCRAPSA-N 2 2 283.372 -0.656 20 0 CBADLP O=C1NCCN1CC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000925777672 658870930 /nfs/dbraw/zinc/87/09/30/658870930.db2.gz QDJNYVPQWHQNRP-NWDGAFQWSA-N 2 2 268.361 -0.632 20 0 CBADLP C[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000968647784 658938300 /nfs/dbraw/zinc/93/83/00/658938300.db2.gz OKOCHTYTVIXXIM-RYUDHWBXSA-N 2 2 282.388 -0.606 20 0 CBADLP C[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000968647784 658938305 /nfs/dbraw/zinc/93/83/05/658938305.db2.gz OKOCHTYTVIXXIM-RYUDHWBXSA-N 2 2 282.388 -0.606 20 0 CBADLP C[C@@H]1CC[N@H+](CCO)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000968702676 658938466 /nfs/dbraw/zinc/93/84/66/658938466.db2.gz OFNLLQLANKKJMT-VXGBXAGGSA-N 2 2 266.345 -0.298 20 0 CBADLP C[C@@H]([NH2+][C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1)C(N)=O ZINC000968872380 658943010 /nfs/dbraw/zinc/94/30/10/658943010.db2.gz VLFKZAHDQVUOPN-MWLCHTKSSA-N 2 2 279.344 -0.593 20 0 CBADLP C[C@@H]([NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1)C(N)=O ZINC000968872380 658943012 /nfs/dbraw/zinc/94/30/12/658943012.db2.gz VLFKZAHDQVUOPN-MWLCHTKSSA-N 2 2 279.344 -0.593 20 0 CBADLP NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC000969317994 658969731 /nfs/dbraw/zinc/96/97/31/658969731.db2.gz PGBZTCXZFYJIKG-SNVBAGLBSA-N 2 2 287.323 -0.376 20 0 CBADLP C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1C[NH+](CC(=O)N(C)C)C1 ZINC000969411712 658985834 /nfs/dbraw/zinc/98/58/34/658985834.db2.gz OOXCAPUCWMKCNW-WCQYABFASA-N 2 2 296.415 -0.395 20 0 CBADLP C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C1C[NH+](CC(=O)N(C)C)C1 ZINC000969411712 658985853 /nfs/dbraw/zinc/98/58/53/658985853.db2.gz OOXCAPUCWMKCNW-WCQYABFASA-N 2 2 296.415 -0.395 20 0 CBADLP C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1C[NH+](CC(=O)N(C)C)C1 ZINC000969411713 658988393 /nfs/dbraw/zinc/98/83/93/658988393.db2.gz OOXCAPUCWMKCNW-YPMHNXCESA-N 2 2 296.415 -0.395 20 0 CBADLP C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1C[NH+](CC(=O)N(C)C)C1 ZINC000969411713 658988408 /nfs/dbraw/zinc/98/84/08/658988408.db2.gz OOXCAPUCWMKCNW-YPMHNXCESA-N 2 2 296.415 -0.395 20 0 CBADLP O=C(CCn1cc[nH+]c1)N1CC[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC000969518736 659000030 /nfs/dbraw/zinc/00/00/30/659000030.db2.gz SQWWLFYKNVWIGV-NEPJUHHUSA-N 2 2 291.355 -0.648 20 0 CBADLP C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C1C[NH+](CC(N)=O)C1 ZINC000969975495 659027659 /nfs/dbraw/zinc/02/76/59/659027659.db2.gz KMLAKHDUFBSZIU-JQWIXIFHSA-N 2 2 282.388 -0.608 20 0 CBADLP C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C1C[NH+](CC(N)=O)C1 ZINC000969975495 659027661 /nfs/dbraw/zinc/02/76/61/659027661.db2.gz KMLAKHDUFBSZIU-JQWIXIFHSA-N 2 2 282.388 -0.608 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H]([NH2+]CCO)C1 ZINC000970228445 659041397 /nfs/dbraw/zinc/04/13/97/659041397.db2.gz UVVLTDCJOGCBFU-GHMZBOCLSA-N 2 2 266.345 -0.229 20 0 CBADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H]([NH2+]CCO)C1 ZINC000970228445 659041405 /nfs/dbraw/zinc/04/14/05/659041405.db2.gz UVVLTDCJOGCBFU-GHMZBOCLSA-N 2 2 266.345 -0.229 20 0 CBADLP C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1C[NH+](CC(N)=O)C1 ZINC000970325287 659050253 /nfs/dbraw/zinc/05/02/53/659050253.db2.gz CVWYIJNDASWMDX-TUAOUCFPSA-N 2 2 296.415 -0.362 20 0 CBADLP C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1C[NH+](CC(N)=O)C1 ZINC000970325287 659050261 /nfs/dbraw/zinc/05/02/61/659050261.db2.gz CVWYIJNDASWMDX-TUAOUCFPSA-N 2 2 296.415 -0.362 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]([NH2+]C[C@@H](C)O)C1 ZINC000970581511 659061341 /nfs/dbraw/zinc/06/13/41/659061341.db2.gz JZKRGNXMOOBZET-MWLCHTKSSA-N 2 2 266.345 -0.168 20 0 CBADLP O=C([C@H](C1CC1)[NH+]1CCOCC1)N1CC[C@@H]([NH2+]CCO)C1 ZINC000970767999 659071523 /nfs/dbraw/zinc/07/15/23/659071523.db2.gz RJJMSIUMSUFRDI-KGLIPLIRSA-N 2 2 297.399 -0.720 20 0 CBADLP C[N@H+](CCO)[C@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000971821831 659098968 /nfs/dbraw/zinc/09/89/68/659098968.db2.gz PUGZKNYFJLHPRW-STQMWFEESA-N 2 2 292.383 -0.030 20 0 CBADLP C[N@@H+](CCO)[C@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000971821831 659098973 /nfs/dbraw/zinc/09/89/73/659098973.db2.gz PUGZKNYFJLHPRW-STQMWFEESA-N 2 2 292.383 -0.030 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H]([N@H+](C)CC(N)=O)C1 ZINC000971950194 659100879 /nfs/dbraw/zinc/10/08/79/659100879.db2.gz RFQMSDVMRZITAO-NSHDSACASA-N 2 2 279.344 -0.790 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H]([N@@H+](C)CC(N)=O)C1 ZINC000971950194 659100891 /nfs/dbraw/zinc/10/08/91/659100891.db2.gz RFQMSDVMRZITAO-NSHDSACASA-N 2 2 279.344 -0.790 20 0 CBADLP C[C@@H](C(N)=O)[N@H+](C)[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000972039558 659102197 /nfs/dbraw/zinc/10/21/97/659102197.db2.gz IYOOVHYXUANFGW-RYUDHWBXSA-N 2 2 293.371 -0.320 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000972039558 659102204 /nfs/dbraw/zinc/10/22/04/659102204.db2.gz IYOOVHYXUANFGW-RYUDHWBXSA-N 2 2 293.371 -0.320 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)N1CC[C@H]([N@H+](C)CCO)C1 ZINC000971987673 659102866 /nfs/dbraw/zinc/10/28/66/659102866.db2.gz BWRSQJYKLCCQMN-LBPRGKRZSA-N 2 2 280.372 -0.122 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)N1CC[C@H]([N@@H+](C)CCO)C1 ZINC000971987673 659102876 /nfs/dbraw/zinc/10/28/76/659102876.db2.gz BWRSQJYKLCCQMN-LBPRGKRZSA-N 2 2 280.372 -0.122 20 0 CBADLP C[NH+](C)CC(=O)N1CC[NH+](C[C@@H]2C[C@@H]3COC[C@H]3O2)CC1 ZINC000929258728 659109093 /nfs/dbraw/zinc/10/90/93/659109093.db2.gz CKKXDWYJGUKJNF-HZSPNIEDSA-N 2 2 297.399 -0.504 20 0 CBADLP C[C@@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000972433587 659118059 /nfs/dbraw/zinc/11/80/59/659118059.db2.gz PPBUSWMTLBGYPR-ZYHUDNBSSA-N 2 2 266.345 -0.134 20 0 CBADLP C[C@@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000972433587 659118064 /nfs/dbraw/zinc/11/80/64/659118064.db2.gz PPBUSWMTLBGYPR-ZYHUDNBSSA-N 2 2 266.345 -0.134 20 0 CBADLP C[C@H](O)[C@H](O)C[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000929657435 659156869 /nfs/dbraw/zinc/15/68/69/659156869.db2.gz MKMDKAFKGHBMOJ-WCQYABFASA-N 2 2 260.378 -0.493 20 0 CBADLP C[C@H](O)[C@H](O)C[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000929657435 659156871 /nfs/dbraw/zinc/15/68/71/659156871.db2.gz MKMDKAFKGHBMOJ-WCQYABFASA-N 2 2 260.378 -0.493 20 0 CBADLP C[C@@H]1[C@H](C(=O)N[C@H]2C[NH+](CC(N)=O)CC2(C)C)CC[N@@H+]1C ZINC000974605719 659171407 /nfs/dbraw/zinc/17/14/07/659171407.db2.gz NEKCLPQQLDERDG-UTUOFQBUSA-N 2 2 296.415 -0.362 20 0 CBADLP C[C@@H]1[C@H](C(=O)N[C@H]2C[NH+](CC(N)=O)CC2(C)C)CC[N@H+]1C ZINC000974605719 659171413 /nfs/dbraw/zinc/17/14/13/659171413.db2.gz NEKCLPQQLDERDG-UTUOFQBUSA-N 2 2 296.415 -0.362 20 0 CBADLP C[C@@H]1[C@H](C(=O)N[C@H]2C[N@H+](CC(N)=O)CC2(C)C)CC[NH+]1C ZINC000974605719 659171417 /nfs/dbraw/zinc/17/14/17/659171417.db2.gz NEKCLPQQLDERDG-UTUOFQBUSA-N 2 2 296.415 -0.362 20 0 CBADLP C[C@@H]1[C@H](C(=O)N[C@H]2C[N@@H+](CC(N)=O)CC2(C)C)CC[NH+]1C ZINC000974605719 659171420 /nfs/dbraw/zinc/17/14/20/659171420.db2.gz NEKCLPQQLDERDG-UTUOFQBUSA-N 2 2 296.415 -0.362 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@H+](CCO)CC1(C)C ZINC000977453592 659199470 /nfs/dbraw/zinc/19/94/70/659199470.db2.gz OFBSBODQUKFYIR-GFCCVEGCSA-N 2 2 280.372 -0.219 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@@H+](CCO)CC1(C)C ZINC000977453592 659199473 /nfs/dbraw/zinc/19/94/73/659199473.db2.gz OFBSBODQUKFYIR-GFCCVEGCSA-N 2 2 280.372 -0.219 20 0 CBADLP OC[C@@H](O)C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000930316238 659252767 /nfs/dbraw/zinc/25/27/67/659252767.db2.gz NDRXKRAODRZBBP-OLZOCXBDSA-N 2 2 258.362 -0.474 20 0 CBADLP OC[C@@H](O)C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000930316238 659252774 /nfs/dbraw/zinc/25/27/74/659252774.db2.gz NDRXKRAODRZBBP-OLZOCXBDSA-N 2 2 258.362 -0.474 20 0 CBADLP C[C@@H](C(N)=O)[N@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000980538438 659273566 /nfs/dbraw/zinc/27/35/66/659273566.db2.gz GRUFDCQYIUNWQX-WDEREUQCSA-N 2 2 279.344 -0.710 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000980538438 659273571 /nfs/dbraw/zinc/27/35/71/659273571.db2.gz GRUFDCQYIUNWQX-WDEREUQCSA-N 2 2 279.344 -0.710 20 0 CBADLP COCC[NH+](CCOC)C1CC[NH+](C[C@@H](O)CO)CC1 ZINC000930468149 659290806 /nfs/dbraw/zinc/29/08/06/659290806.db2.gz WPXYNKFDEVUAEN-CQSZACIVSA-N 2 2 290.404 -0.601 20 0 CBADLP CC(C)C[NH2+]C1(CO)CC[NH+](C[C@@H](O)[C@H](C)O)CC1 ZINC000930625716 659312825 /nfs/dbraw/zinc/31/28/25/659312825.db2.gz IGTVOJIZRGBXTJ-QWHCGFSZSA-N 2 2 274.405 -0.199 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC000981333738 659316034 /nfs/dbraw/zinc/31/60/34/659316034.db2.gz UHDKVNFCPHLUDD-DGCLKSJQSA-N 2 2 296.415 -0.265 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC000981333738 659316041 /nfs/dbraw/zinc/31/60/41/659316041.db2.gz UHDKVNFCPHLUDD-DGCLKSJQSA-N 2 2 296.415 -0.265 20 0 CBADLP C[C@@H](O)C[N@@H+]1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000982036005 659339132 /nfs/dbraw/zinc/33/91/32/659339132.db2.gz VEKAZGRYJBGHML-LLVKDONJSA-N 2 2 266.345 -0.133 20 0 CBADLP C[C@@H](O)C[N@H+]1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000982036005 659339135 /nfs/dbraw/zinc/33/91/35/659339135.db2.gz VEKAZGRYJBGHML-LLVKDONJSA-N 2 2 266.345 -0.133 20 0 CBADLP CON1CC[C@H]([N@@H+]2CCOC3(CC[NH+](C)CC3)C2)C1=O ZINC000930823875 659344121 /nfs/dbraw/zinc/34/41/21/659344121.db2.gz XLLFKWKYNOUODS-LBPRGKRZSA-N 2 2 283.372 -0.055 20 0 CBADLP CON1CC[C@H]([N@H+]2CCOC3(CC[NH+](C)CC3)C2)C1=O ZINC000930823875 659344128 /nfs/dbraw/zinc/34/41/28/659344128.db2.gz XLLFKWKYNOUODS-LBPRGKRZSA-N 2 2 283.372 -0.055 20 0 CBADLP C[C@@H](C(N)=O)[N@H+](C)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000985713561 659397203 /nfs/dbraw/zinc/39/72/03/659397203.db2.gz WKVMOMXSHTZDEX-JTQLQIEISA-N 2 2 293.371 -0.251 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+](C)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000985713561 659397211 /nfs/dbraw/zinc/39/72/11/659397211.db2.gz WKVMOMXSHTZDEX-JTQLQIEISA-N 2 2 293.371 -0.251 20 0 CBADLP C[N@H+](CCO)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000985815979 659398960 /nfs/dbraw/zinc/39/89/60/659398960.db2.gz HFBBBXYIPGJJIA-UHFFFAOYSA-N 2 2 266.345 -0.202 20 0 CBADLP C[N@@H+](CCO)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000985815979 659398968 /nfs/dbraw/zinc/39/89/68/659398968.db2.gz HFBBBXYIPGJJIA-UHFFFAOYSA-N 2 2 266.345 -0.202 20 0 CBADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@H](O)C[C@@]3(O)CCOC3)C[C@H]21 ZINC000931277236 659424940 /nfs/dbraw/zinc/42/49/40/659424940.db2.gz MOKOCIFDCASBRK-DGTMBMJNSA-N 2 2 270.373 -0.619 20 0 CBADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[C@H](O)C[C@@]3(O)CCOC3)C[C@H]21 ZINC000931277236 659424964 /nfs/dbraw/zinc/42/49/64/659424964.db2.gz MOKOCIFDCASBRK-DGTMBMJNSA-N 2 2 270.373 -0.619 20 0 CBADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@@H](O)Cn3cccn3)C[C@H]21 ZINC000931282398 659427204 /nfs/dbraw/zinc/42/72/04/659427204.db2.gz RVPHWGTZLHCTCG-NDBYEHHHSA-N 2 2 250.346 -0.264 20 0 CBADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[C@@H](O)Cn3cccn3)C[C@H]21 ZINC000931282398 659427217 /nfs/dbraw/zinc/42/72/17/659427217.db2.gz RVPHWGTZLHCTCG-NDBYEHHHSA-N 2 2 250.346 -0.264 20 0 CBADLP C[C@@H](O)[C@H](O)C[NH+]1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931286604 659427477 /nfs/dbraw/zinc/42/74/77/659427477.db2.gz VENNWTDNHWMKCJ-TZMCWYRMSA-N 2 2 272.389 -0.085 20 0 CBADLP C[C@@H](O)[C@H](O)C[NH+]1CCC([N@H+]2CCCOCC2)CC1 ZINC000931286604 659427487 /nfs/dbraw/zinc/42/74/87/659427487.db2.gz VENNWTDNHWMKCJ-TZMCWYRMSA-N 2 2 272.389 -0.085 20 0 CBADLP C[C@H](O)[C@H](O)C[NH+]1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931286601 659427813 /nfs/dbraw/zinc/42/78/13/659427813.db2.gz VENNWTDNHWMKCJ-GXTWGEPZSA-N 2 2 272.389 -0.085 20 0 CBADLP C[C@H](O)[C@H](O)C[NH+]1CCC([N@H+]2CCCOCC2)CC1 ZINC000931286601 659427814 /nfs/dbraw/zinc/42/78/14/659427814.db2.gz VENNWTDNHWMKCJ-GXTWGEPZSA-N 2 2 272.389 -0.085 20 0 CBADLP C[C@H]1[C@H]([NH2+]CC(N)=O)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000986211612 659431934 /nfs/dbraw/zinc/43/19/34/659431934.db2.gz IHFMYAOPIYBOFS-VHSXEESVSA-N 2 2 279.344 -0.593 20 0 CBADLP C[C@H]1[C@H]([NH2+]CCO)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000986211653 659432377 /nfs/dbraw/zinc/43/23/77/659432377.db2.gz JBRVBOJDBAWTMN-WDEREUQCSA-N 2 2 266.345 -0.086 20 0 CBADLP C[C@@H]1[C@H]([NH2+]CCO)CCN1C(=O)CCc1[nH+]ccn1C ZINC000986604712 659464591 /nfs/dbraw/zinc/46/45/91/659464591.db2.gz UBTKKOSQJFEVGV-VXGBXAGGSA-N 2 2 280.372 -0.076 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(OC)(OC)[C@@H](O)C1 ZINC000931632957 659496410 /nfs/dbraw/zinc/49/64/10/659496410.db2.gz DQLYUMPDMYZYRJ-RYUDHWBXSA-N 2 2 276.377 -0.645 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(OC)(OC)[C@@H](O)C1 ZINC000931632957 659496417 /nfs/dbraw/zinc/49/64/17/659496417.db2.gz DQLYUMPDMYZYRJ-RYUDHWBXSA-N 2 2 276.377 -0.645 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC(OC)(OC)[C@@H](O)C1 ZINC000931632957 659496419 /nfs/dbraw/zinc/49/64/19/659496419.db2.gz DQLYUMPDMYZYRJ-RYUDHWBXSA-N 2 2 276.377 -0.645 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC(OC)(OC)[C@@H](O)C1 ZINC000931632957 659496426 /nfs/dbraw/zinc/49/64/26/659496426.db2.gz DQLYUMPDMYZYRJ-RYUDHWBXSA-N 2 2 276.377 -0.645 20 0 CBADLP C[C@@H]1[C@H]([NH2+]CC(N)=O)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000987260651 659499329 /nfs/dbraw/zinc/49/93/29/659499329.db2.gz NRDDYYYCUAEXPI-RKDXNWHRSA-N 2 2 265.317 -0.984 20 0 CBADLP C[C@@H]1[C@H]([NH2+]CCO)CCN1C(=O)Cc1c[nH+]cn1C ZINC000987348257 659502315 /nfs/dbraw/zinc/50/23/15/659502315.db2.gz LOPMNNLHZLZNOR-ZYHUDNBSSA-N 2 2 266.345 -0.466 20 0 CBADLP C[C@H]1[C@H]([NH2+]CCO)CCN1C(=O)CCc1c[nH+]cn1C ZINC000987431599 659505432 /nfs/dbraw/zinc/50/54/32/659505432.db2.gz CDSCKEXMTWWENT-WCQYABFASA-N 2 2 280.372 -0.076 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]([NH2+]CCO)[C@@H]1C ZINC000987418824 659505600 /nfs/dbraw/zinc/50/56/00/659505600.db2.gz AAJYJUKPCHSSKZ-QWRGUYRKSA-N 2 2 266.345 -0.168 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@@H]2C(=O)NCC2(C)C)CC1 ZINC000931664683 659506418 /nfs/dbraw/zinc/50/64/18/659506418.db2.gz TUDPRRKRDBAFEH-NWDGAFQWSA-N 2 2 296.415 -0.347 20 0 CBADLP C[C@H]1[C@H]([NH2+]CCO)CCN1C(=O)Cn1cc[nH+]c1 ZINC000987610719 659513476 /nfs/dbraw/zinc/51/34/76/659513476.db2.gz PVOGFEWGBZQZQF-WDEREUQCSA-N 2 2 252.318 -0.546 20 0 CBADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCC(=O)NC(N)=O ZINC000931727291 659514890 /nfs/dbraw/zinc/51/48/90/659514890.db2.gz SBPKOKIFZAWLNP-VHSXEESVSA-N 2 2 254.334 -0.260 20 0 CBADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCC(=O)NC(N)=O ZINC000931727291 659514901 /nfs/dbraw/zinc/51/49/01/659514901.db2.gz SBPKOKIFZAWLNP-VHSXEESVSA-N 2 2 254.334 -0.260 20 0 CBADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2CCC(=O)NC(N)=O ZINC000931727291 659514914 /nfs/dbraw/zinc/51/49/14/659514914.db2.gz SBPKOKIFZAWLNP-VHSXEESVSA-N 2 2 254.334 -0.260 20 0 CBADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2CCC(=O)NC(N)=O ZINC000931727291 659514929 /nfs/dbraw/zinc/51/49/29/659514929.db2.gz SBPKOKIFZAWLNP-VHSXEESVSA-N 2 2 254.334 -0.260 20 0 CBADLP C[N@@H+]1CC[C@H]1CNC(=O)C(=O)N[C@H]1CCC[NH+](C)C1 ZINC000931873377 659534816 /nfs/dbraw/zinc/53/48/16/659534816.db2.gz LUTRJURQPABPJN-QWRGUYRKSA-N 2 2 268.361 -0.983 20 0 CBADLP C[N@H+]1CC[C@H]1CNC(=O)C(=O)N[C@H]1CCC[NH+](C)C1 ZINC000931873377 659534833 /nfs/dbraw/zinc/53/48/33/659534833.db2.gz LUTRJURQPABPJN-QWRGUYRKSA-N 2 2 268.361 -0.983 20 0 CBADLP C[NH+]1CC[C@H]1CNC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000931873377 659534852 /nfs/dbraw/zinc/53/48/52/659534852.db2.gz LUTRJURQPABPJN-QWRGUYRKSA-N 2 2 268.361 -0.983 20 0 CBADLP C[NH+]1CC[C@H]1CNC(=O)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000931873377 659534866 /nfs/dbraw/zinc/53/48/66/659534866.db2.gz LUTRJURQPABPJN-QWRGUYRKSA-N 2 2 268.361 -0.983 20 0 CBADLP C[C@@H]1C[C@H]([NH2+]CCO)CN1C(=O)CCc1[nH]cc[nH+]1 ZINC000988741902 659554108 /nfs/dbraw/zinc/55/41/08/659554108.db2.gz FUHHUKPCJQUONV-MNOVXSKESA-N 2 2 266.345 -0.086 20 0 CBADLP C[C@H]1C[C@@H]([NH2+]CCO)CN1C(=O)CCc1[nH+]ccn1C ZINC000989228735 659575786 /nfs/dbraw/zinc/57/57/86/659575786.db2.gz IFQURXSXQOWKKZ-NWDGAFQWSA-N 2 2 280.372 -0.076 20 0 CBADLP C[C@H]1C[C@H]([NH2+]CC(N)=O)CN1C(=O)CCn1cc[nH+]c1 ZINC000989265652 659577709 /nfs/dbraw/zinc/57/77/09/659577709.db2.gz HVALOURBXMKVPP-QWRGUYRKSA-N 2 2 279.344 -0.663 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC000989480344 659590107 /nfs/dbraw/zinc/59/01/07/659590107.db2.gz FSNMSYOSLRSUJC-QWHCGFSZSA-N 2 2 296.415 -0.264 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC000989480344 659590112 /nfs/dbraw/zinc/59/01/12/659590112.db2.gz FSNMSYOSLRSUJC-QWHCGFSZSA-N 2 2 296.415 -0.264 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000989480344 659590118 /nfs/dbraw/zinc/59/01/18/659590118.db2.gz FSNMSYOSLRSUJC-QWHCGFSZSA-N 2 2 296.415 -0.264 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000989480344 659590124 /nfs/dbraw/zinc/59/01/24/659590124.db2.gz FSNMSYOSLRSUJC-QWHCGFSZSA-N 2 2 296.415 -0.264 20 0 CBADLP C[C@H]1C[C@H]([NH2+]CC(N)=O)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC000989491417 659590336 /nfs/dbraw/zinc/59/03/36/659590336.db2.gz GITWVQRSQKZTRT-WPRPVWTQSA-N 2 2 265.317 -0.984 20 0 CBADLP C[C@@H]1C[C@H]([NH2+]CCO)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC000989612565 659602193 /nfs/dbraw/zinc/60/21/93/659602193.db2.gz LMYTVPYEBCIAOL-ZJUUUORDSA-N 2 2 252.318 -0.477 20 0 CBADLP C[C@H]1C[C@@H]([NH2+]CCO)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC000989612564 659602306 /nfs/dbraw/zinc/60/23/06/659602306.db2.gz LMYTVPYEBCIAOL-VHSXEESVSA-N 2 2 252.318 -0.477 20 0 CBADLP CN(C)C(=O)C[N@@H+]1CCCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000989670378 659606266 /nfs/dbraw/zinc/60/62/66/659606266.db2.gz VFNVJHVWWVCAQU-UHFFFAOYSA-N 2 2 296.415 -0.295 20 0 CBADLP CN(C)C(=O)C[N@H+]1CCCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000989670378 659606274 /nfs/dbraw/zinc/60/62/74/659606274.db2.gz VFNVJHVWWVCAQU-UHFFFAOYSA-N 2 2 296.415 -0.295 20 0 CBADLP C[C@H]1COC[C@H]1[NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000932498515 659607143 /nfs/dbraw/zinc/60/71/43/659607143.db2.gz XLFXJPWKKHHNMQ-QWHCGFSZSA-N 2 2 299.415 -0.162 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC000989660775 659607338 /nfs/dbraw/zinc/60/73/38/659607338.db2.gz BHYQBSCJPFTZOY-NWDGAFQWSA-N 2 2 282.388 -0.654 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC000989660775 659607343 /nfs/dbraw/zinc/60/73/43/659607343.db2.gz BHYQBSCJPFTZOY-NWDGAFQWSA-N 2 2 282.388 -0.654 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000989660775 659607349 /nfs/dbraw/zinc/60/73/49/659607349.db2.gz BHYQBSCJPFTZOY-NWDGAFQWSA-N 2 2 282.388 -0.654 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000989660775 659607352 /nfs/dbraw/zinc/60/73/52/659607352.db2.gz BHYQBSCJPFTZOY-NWDGAFQWSA-N 2 2 282.388 -0.654 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]([NH2+]CCO)C[C@H]1C ZINC000989729597 659609773 /nfs/dbraw/zinc/60/97/73/659609773.db2.gz CCEPMGDHOUYLCM-MWLCHTKSSA-N 2 2 266.345 -0.168 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]([NH2+]CCO)C[C@H]1C ZINC000989729596 659610136 /nfs/dbraw/zinc/61/01/36/659610136.db2.gz CCEPMGDHOUYLCM-KOLCDFICSA-N 2 2 266.345 -0.168 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)N2CCC[NH+](CCO)CC2)C1 ZINC000989709645 659610260 /nfs/dbraw/zinc/61/02/60/659610260.db2.gz RDXFMLYVVGICGF-ZDUSSCGKSA-N 2 2 285.388 -0.766 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)N2CCC[NH+](CCO)CC2)C1 ZINC000989709645 659610261 /nfs/dbraw/zinc/61/02/61/659610261.db2.gz RDXFMLYVVGICGF-ZDUSSCGKSA-N 2 2 285.388 -0.766 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)N2CCC[N@H+](CCO)CC2)C1 ZINC000989709645 659610264 /nfs/dbraw/zinc/61/02/64/659610264.db2.gz RDXFMLYVVGICGF-ZDUSSCGKSA-N 2 2 285.388 -0.766 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)N2CCC[N@@H+](CCO)CC2)C1 ZINC000989709645 659610267 /nfs/dbraw/zinc/61/02/67/659610267.db2.gz RDXFMLYVVGICGF-ZDUSSCGKSA-N 2 2 285.388 -0.766 20 0 CBADLP NC(=O)C[N@@H+]1CCCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC000989734897 659610839 /nfs/dbraw/zinc/61/08/39/659610839.db2.gz JJRMWYXYFBQJJO-UHFFFAOYSA-N 2 2 296.415 -0.118 20 0 CBADLP NC(=O)C[N@H+]1CCCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC000989734897 659610845 /nfs/dbraw/zinc/61/08/45/659610845.db2.gz JJRMWYXYFBQJJO-UHFFFAOYSA-N 2 2 296.415 -0.118 20 0 CBADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@@H]2CO)C1 ZINC000934030022 659761548 /nfs/dbraw/zinc/76/15/48/659761548.db2.gz KUDJTTDQWSNAPY-ZIAGYGMSSA-N 2 2 299.415 -0.474 20 0 CBADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@@H]2CO)C1 ZINC000934030022 659761556 /nfs/dbraw/zinc/76/15/56/659761556.db2.gz KUDJTTDQWSNAPY-ZIAGYGMSSA-N 2 2 299.415 -0.474 20 0 CBADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CC[C@@H]2CO)C1 ZINC000934030022 659761565 /nfs/dbraw/zinc/76/15/65/659761565.db2.gz KUDJTTDQWSNAPY-ZIAGYGMSSA-N 2 2 299.415 -0.474 20 0 CBADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC[C@@H]2CO)C1 ZINC000934030022 659761575 /nfs/dbraw/zinc/76/15/75/659761575.db2.gz KUDJTTDQWSNAPY-ZIAGYGMSSA-N 2 2 299.415 -0.474 20 0 CBADLP C[C@](Cn1cccn1)([NH2+]CCn1cc[nH+]c1)C(N)=O ZINC000934220510 659783301 /nfs/dbraw/zinc/78/33/01/659783301.db2.gz DQSCHAQPSUIJHZ-GFCCVEGCSA-N 2 2 262.317 -0.387 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CCC[N@H+](CC(N)=O)[C@H]1C ZINC000994418496 659882312 /nfs/dbraw/zinc/88/23/12/659882312.db2.gz GJBYJKNMRHEKOU-JQWIXIFHSA-N 2 2 293.371 -0.354 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CCC[N@@H+](CC(N)=O)[C@H]1C ZINC000994418496 659882313 /nfs/dbraw/zinc/88/23/13/659882313.db2.gz GJBYJKNMRHEKOU-JQWIXIFHSA-N 2 2 293.371 -0.354 20 0 CBADLP C[C@@H]1[C@H](NC(=O)Cn2cc[nH+]c2)CCC[N@@H+]1CCO ZINC000994509167 659883060 /nfs/dbraw/zinc/88/30/60/659883060.db2.gz QWZRXCNABKAJLZ-VXGBXAGGSA-N 2 2 266.345 -0.156 20 0 CBADLP C[C@@H]1[C@H](NC(=O)Cn2cc[nH+]c2)CCC[N@H+]1CCO ZINC000994509167 659883062 /nfs/dbraw/zinc/88/30/62/659883062.db2.gz QWZRXCNABKAJLZ-VXGBXAGGSA-N 2 2 266.345 -0.156 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC1CN(C(=O)C[NH+]2CCCC2)C1 ZINC000994924652 659888151 /nfs/dbraw/zinc/88/81/51/659888151.db2.gz YTGDOPAUMFKSHG-UHFFFAOYSA-N 2 2 291.355 -0.694 20 0 CBADLP C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1[NH2+]CC(N)=O ZINC000939542851 659890598 /nfs/dbraw/zinc/89/05/98/659890598.db2.gz YMMGTJDLMIHXRB-NXEZZACHSA-N 2 2 293.371 -0.391 20 0 CBADLP C[C@@H]1C[N@H+](CC(N)=O)CC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000944099709 659933642 /nfs/dbraw/zinc/93/36/42/659933642.db2.gz RSADGROXZUFWPP-ZYHUDNBSSA-N 2 2 293.371 -0.726 20 0 CBADLP C[C@@H]1C[N@@H+](CC(N)=O)CC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000944099709 659933648 /nfs/dbraw/zinc/93/36/48/659933648.db2.gz RSADGROXZUFWPP-ZYHUDNBSSA-N 2 2 293.371 -0.726 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1C ZINC000944965402 659939244 /nfs/dbraw/zinc/93/92/44/659939244.db2.gz SHIRNJLHNVBSEE-PWSUYJOCSA-N 2 2 293.371 -0.497 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@H]1C ZINC000944965402 659939245 /nfs/dbraw/zinc/93/92/45/659939245.db2.gz SHIRNJLHNVBSEE-PWSUYJOCSA-N 2 2 293.371 -0.497 20 0 CBADLP C[C@H]1C[N@H+](CCO)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945810867 659943372 /nfs/dbraw/zinc/94/33/72/659943372.db2.gz YDLOFQVGDHIFKB-NWDGAFQWSA-N 2 2 266.345 -0.298 20 0 CBADLP C[C@H]1C[N@@H+](CCO)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945810867 659943378 /nfs/dbraw/zinc/94/33/78/659943378.db2.gz YDLOFQVGDHIFKB-NWDGAFQWSA-N 2 2 266.345 -0.298 20 0 CBADLP C[C@@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[N@@H+]1CCO ZINC000947929171 659963199 /nfs/dbraw/zinc/96/31/99/659963199.db2.gz JIUPZHCOMZZMRK-NEPJUHHUSA-N 2 2 280.372 -0.076 20 0 CBADLP C[C@@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[N@H+]1CCO ZINC000947929171 659963201 /nfs/dbraw/zinc/96/32/01/659963201.db2.gz JIUPZHCOMZZMRK-NEPJUHHUSA-N 2 2 280.372 -0.076 20 0 CBADLP C[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)CC[N@@H+]1CCO ZINC000948090246 659965968 /nfs/dbraw/zinc/96/59/68/659965968.db2.gz HNDBSDZIFQDBRW-NWDGAFQWSA-N 2 2 266.345 -0.156 20 0 CBADLP C[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)CC[N@H+]1CCO ZINC000948090246 659965970 /nfs/dbraw/zinc/96/59/70/659965970.db2.gz HNDBSDZIFQDBRW-NWDGAFQWSA-N 2 2 266.345 -0.156 20 0 CBADLP C[C@H](C(=O)N1CCC([NH3+])CC1)[NH+]1CCN(C)CC1 ZINC000032026179 790321909 /nfs/dbraw/zinc/32/19/09/790321909.db2.gz ZMDNHFFAXFRSDG-LLVKDONJSA-N 2 2 254.378 -0.428 20 0 CBADLP CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001076838914 805637600 /nfs/dbraw/zinc/63/76/00/805637600.db2.gz SAWZEEAIAFWWDA-UPJWGTAASA-N 2 2 285.388 -0.722 20 0 CBADLP CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001076838914 805637602 /nfs/dbraw/zinc/63/76/02/805637602.db2.gz SAWZEEAIAFWWDA-UPJWGTAASA-N 2 2 285.388 -0.722 20 0 CBADLP CCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001076838914 805637605 /nfs/dbraw/zinc/63/76/05/805637605.db2.gz SAWZEEAIAFWWDA-UPJWGTAASA-N 2 2 285.388 -0.722 20 0 CBADLP CCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001076838914 805637609 /nfs/dbraw/zinc/63/76/09/805637609.db2.gz SAWZEEAIAFWWDA-UPJWGTAASA-N 2 2 285.388 -0.722 20 0 CBADLP COCCOC[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000385096383 790539577 /nfs/dbraw/zinc/53/95/77/790539577.db2.gz GYIFAIYQQRQBON-NDBYEHHHSA-N 2 2 258.362 -0.498 20 0 CBADLP COCCOC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000385096383 790539581 /nfs/dbraw/zinc/53/95/81/790539581.db2.gz GYIFAIYQQRQBON-NDBYEHHHSA-N 2 2 258.362 -0.498 20 0 CBADLP [NH3+][C@@H](CC(=O)NC[C@H]1CN2CC[N@@H+]1CCC2)C1CC1 ZINC000394385584 790577456 /nfs/dbraw/zinc/57/74/56/790577456.db2.gz MLERMSOGJFHYEU-STQMWFEESA-N 2 2 266.389 -0.380 20 0 CBADLP [NH3+][C@@H](CC(=O)NC[C@H]1CN2CC[N@H+]1CCC2)C1CC1 ZINC000394385584 790577464 /nfs/dbraw/zinc/57/74/64/790577464.db2.gz MLERMSOGJFHYEU-STQMWFEESA-N 2 2 266.389 -0.380 20 0 CBADLP CNC(=O)CN1CCC([NH2+][C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000399147402 790598113 /nfs/dbraw/zinc/59/81/13/790598113.db2.gz XOQAHSAOXBCZJG-AAEUAGOBSA-N 2 2 268.405 -0.073 20 0 CBADLP CNC(=O)C[NH+]1CCC(N[C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000399147402 790598123 /nfs/dbraw/zinc/59/81/23/790598123.db2.gz XOQAHSAOXBCZJG-AAEUAGOBSA-N 2 2 268.405 -0.073 20 0 CBADLP C[C@H]1CC[C@H]([NH2+]CCC(=O)N2CCOCC2)C[NH2+]1 ZINC000398967945 790599071 /nfs/dbraw/zinc/59/90/71/790599071.db2.gz SRHDKVHTVWAMNZ-RYUDHWBXSA-N 2 2 255.362 -0.035 20 0 CBADLP CS(=O)(=O)N1CCC[C@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)C1 ZINC000400206278 790603092 /nfs/dbraw/zinc/60/30/92/790603092.db2.gz HXVZZPJKUDQBKP-SNIKSBKOSA-N 2 2 299.440 -0.004 20 0 CBADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@@H]1CCN(S(C)(=O)=O)C1 ZINC000400147759 790603603 /nfs/dbraw/zinc/60/36/03/790603603.db2.gz DJXCNDBUFJKULN-HBNTYKKESA-N 2 2 261.391 -0.250 20 0 CBADLP CO[C@@]1(CO)CCC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000401726853 790607331 /nfs/dbraw/zinc/60/73/31/790607331.db2.gz QZHFUQGFNPZWFF-KGLIPLIRSA-N 2 2 272.389 -0.084 20 0 CBADLP CO[C@@]1(CO)CCC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000401726853 790607335 /nfs/dbraw/zinc/60/73/35/790607335.db2.gz QZHFUQGFNPZWFF-KGLIPLIRSA-N 2 2 272.389 -0.084 20 0 CBADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCN1CCCS1(=O)=O ZINC000695077273 790687501 /nfs/dbraw/zinc/68/75/01/790687501.db2.gz ZJFWIDVFVBTAPG-MNOVXSKESA-N 2 2 261.391 -0.167 20 0 CBADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCN1CCCS1(=O)=O ZINC000695077273 790687506 /nfs/dbraw/zinc/68/75/06/790687506.db2.gz ZJFWIDVFVBTAPG-MNOVXSKESA-N 2 2 261.391 -0.167 20 0 CBADLP C[C@@H]1C[C@H](N2CC[NH+](CC(=O)N(C)C)CC2)CC[NH2+]1 ZINC000700800029 790710958 /nfs/dbraw/zinc/71/09/58/790710958.db2.gz BTNOTLYAMRYHTN-CHWSQXEVSA-N 2 2 268.405 -0.167 20 0 CBADLP C[C@@H]1C[C@@H](N2CC[NH+](CC(=O)N(C)C)CC2)CC[NH2+]1 ZINC000700800031 790709806 /nfs/dbraw/zinc/70/98/06/790709806.db2.gz BTNOTLYAMRYHTN-OLZOCXBDSA-N 2 2 268.405 -0.167 20 0 CBADLP NC(=O)C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000705330601 790723941 /nfs/dbraw/zinc/72/39/41/790723941.db2.gz YVLPPRNMPPPMEM-CQSZACIVSA-N 2 2 263.341 -0.302 20 0 CBADLP NC(=O)C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000705330601 790723947 /nfs/dbraw/zinc/72/39/47/790723947.db2.gz YVLPPRNMPPPMEM-CQSZACIVSA-N 2 2 263.341 -0.302 20 0 CBADLP COC1CC(C(=O)NCC[NH+]2CCC([NH3+])CC2)C1 ZINC000705835593 790725912 /nfs/dbraw/zinc/72/59/12/790725912.db2.gz HREPMBUVVVISKN-UHFFFAOYSA-N 2 2 255.362 -0.049 20 0 CBADLP C[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@@H]1C)N1CC[NH2+]CC1=O ZINC000719445620 790760738 /nfs/dbraw/zinc/76/07/38/790760738.db2.gz VZLRTPPFQLSVSW-MXWKQRLJSA-N 2 2 268.361 -0.985 20 0 CBADLP C[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1C)N1CC[NH2+]CC1=O ZINC000719445620 790760744 /nfs/dbraw/zinc/76/07/44/790760744.db2.gz VZLRTPPFQLSVSW-MXWKQRLJSA-N 2 2 268.361 -0.985 20 0 CBADLP [NH3+]C[C@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1C(F)(F)F ZINC000720826270 790773191 /nfs/dbraw/zinc/77/31/91/790773191.db2.gz DQVNUQLTGAPYDQ-JGVFFNPUSA-N 2 2 294.277 -0.393 20 0 CBADLP [NH3+]C[C@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1C(F)(F)F ZINC000720826270 790773195 /nfs/dbraw/zinc/77/31/95/790773195.db2.gz DQVNUQLTGAPYDQ-JGVFFNPUSA-N 2 2 294.277 -0.393 20 0 CBADLP [NH3+]Cc1ocnc1C(=O)NCC[NH+]1CCSCC1 ZINC000721479203 790780785 /nfs/dbraw/zinc/78/07/85/790780785.db2.gz SGHSXLDQVCTFED-UHFFFAOYSA-N 2 2 270.358 -0.088 20 0 CBADLP CO[C@@H]1CCOC[C@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000724892365 790810788 /nfs/dbraw/zinc/81/07/88/790810788.db2.gz XSTLRFZPBXWPAC-JHJVBQTASA-N 2 2 258.362 -0.163 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cnon3)C2)C1 ZINC001021928156 790970899 /nfs/dbraw/zinc/97/08/99/790970899.db2.gz NGHFRTMNHBQSFL-JFGNBEQYSA-N 2 2 295.343 -0.863 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cnon3)C2)C1 ZINC001021928156 790970909 /nfs/dbraw/zinc/97/09/09/790970909.db2.gz NGHFRTMNHBQSFL-JFGNBEQYSA-N 2 2 295.343 -0.863 20 0 CBADLP O=C(N[C@H]1C[C@@H]([NH2+]CCO)C1)[C@H]1CCn2cc[nH+]c2C1 ZINC001022311542 791004371 /nfs/dbraw/zinc/00/43/71/791004371.db2.gz UKCDAXFAHOTEKG-SDDRHHMPSA-N 2 2 278.356 -0.325 20 0 CBADLP O=C(N[C@@H]1C[N@@H+](CCF)C[C@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001077007208 805671337 /nfs/dbraw/zinc/67/13/37/805671337.db2.gz DOAWRHPNEVRRRA-YNEHKIRRSA-N 2 2 285.363 -0.541 20 0 CBADLP O=C(N[C@@H]1C[N@H+](CCF)C[C@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001077007208 805671343 /nfs/dbraw/zinc/67/13/43/805671343.db2.gz DOAWRHPNEVRRRA-YNEHKIRRSA-N 2 2 285.363 -0.541 20 0 CBADLP C[N@H+]1CC[C@@H](CC(=O)NCC[NH2+]Cc2cnon2)C1 ZINC001147886723 814925215 /nfs/dbraw/zinc/92/52/15/814925215.db2.gz ZNCIWDKNXNWOIS-JTQLQIEISA-N 2 2 267.333 -0.383 20 0 CBADLP C[N@@H+]1CC[C@@H](CC(=O)NCC[NH2+]Cc2cnon2)C1 ZINC001147886723 814925209 /nfs/dbraw/zinc/92/52/09/814925209.db2.gz ZNCIWDKNXNWOIS-JTQLQIEISA-N 2 2 267.333 -0.383 20 0 CBADLP C[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001077892896 805803877 /nfs/dbraw/zinc/80/38/77/805803877.db2.gz PBNYSHMDQUPPKX-MGPQQGTHSA-N 2 2 299.415 -0.740 20 0 CBADLP C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001077892896 805803886 /nfs/dbraw/zinc/80/38/86/805803886.db2.gz PBNYSHMDQUPPKX-MGPQQGTHSA-N 2 2 299.415 -0.740 20 0 CBADLP COC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001078007624 805823011 /nfs/dbraw/zinc/82/30/11/805823011.db2.gz WMTOSLDYALMRDG-RAIGVLPGSA-N 2 2 296.371 -0.841 20 0 CBADLP COC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001078007624 805823020 /nfs/dbraw/zinc/82/30/20/805823020.db2.gz WMTOSLDYALMRDG-RAIGVLPGSA-N 2 2 296.371 -0.841 20 0 CBADLP NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C12CCC2 ZINC001078737241 805888845 /nfs/dbraw/zinc/88/88/45/805888845.db2.gz WMWVPSIVVFGMGQ-WDEREUQCSA-N 2 2 291.355 -0.546 20 0 CBADLP COCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001079526985 805922635 /nfs/dbraw/zinc/92/26/35/805922635.db2.gz YUWCOXBFOJNQAT-UPJWGTAASA-N 2 2 285.388 -0.600 20 0 CBADLP COCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001079526985 805922640 /nfs/dbraw/zinc/92/26/40/805922640.db2.gz YUWCOXBFOJNQAT-UPJWGTAASA-N 2 2 285.388 -0.600 20 0 CBADLP COCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001079526985 805922642 /nfs/dbraw/zinc/92/26/42/805922642.db2.gz YUWCOXBFOJNQAT-UPJWGTAASA-N 2 2 285.388 -0.600 20 0 CBADLP COCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001079526985 805922646 /nfs/dbraw/zinc/92/26/46/805922646.db2.gz YUWCOXBFOJNQAT-UPJWGTAASA-N 2 2 285.388 -0.600 20 0 CBADLP C[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001079981864 805953260 /nfs/dbraw/zinc/95/32/60/805953260.db2.gz FJEMTSOHHQCAQG-YRGRVCCFSA-N 2 2 292.383 -0.126 20 0 CBADLP C[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001079981864 805953265 /nfs/dbraw/zinc/95/32/65/805953265.db2.gz FJEMTSOHHQCAQG-YRGRVCCFSA-N 2 2 292.383 -0.126 20 0 CBADLP C[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC001080011707 805954851 /nfs/dbraw/zinc/95/48/51/805954851.db2.gz HHRLJBWNQHCJEE-ZWNOBZJWSA-N 2 2 296.371 -0.221 20 0 CBADLP C[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC001080011707 805954855 /nfs/dbraw/zinc/95/48/55/805954855.db2.gz HHRLJBWNQHCJEE-ZWNOBZJWSA-N 2 2 296.371 -0.221 20 0 CBADLP CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001080441601 805984020 /nfs/dbraw/zinc/98/40/20/805984020.db2.gz RZUCPWAXXNFAKE-FRRDWIJNSA-N 2 2 296.415 -0.347 20 0 CBADLP CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001080441601 805984028 /nfs/dbraw/zinc/98/40/28/805984028.db2.gz RZUCPWAXXNFAKE-FRRDWIJNSA-N 2 2 296.415 -0.347 20 0 CBADLP CNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001080441601 805984034 /nfs/dbraw/zinc/98/40/34/805984034.db2.gz RZUCPWAXXNFAKE-FRRDWIJNSA-N 2 2 296.415 -0.347 20 0 CBADLP CNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001080441601 805984044 /nfs/dbraw/zinc/98/40/44/805984044.db2.gz RZUCPWAXXNFAKE-FRRDWIJNSA-N 2 2 296.415 -0.347 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001080939981 806017044 /nfs/dbraw/zinc/01/70/44/806017044.db2.gz RYJIESVYZHFPBB-JHJVBQTASA-N 2 2 296.415 -0.217 20 0 CBADLP CC[C@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001080939981 806017052 /nfs/dbraw/zinc/01/70/52/806017052.db2.gz RYJIESVYZHFPBB-JHJVBQTASA-N 2 2 296.415 -0.217 20 0 CBADLP CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)C[NH+]1CCC[C@H]1C ZINC001082133663 806147883 /nfs/dbraw/zinc/14/78/83/806147883.db2.gz LLKIPODHZYKHKQ-JHJVBQTASA-N 2 2 285.388 -0.722 20 0 CBADLP CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)C[NH+]1CCC[C@H]1C ZINC001082133663 806147891 /nfs/dbraw/zinc/14/78/91/806147891.db2.gz LLKIPODHZYKHKQ-JHJVBQTASA-N 2 2 285.388 -0.722 20 0 CBADLP CO[C@@H]1C[NH+](CCO)C[C@H]1NC(=O)C[N@H+]1CCC[C@H]1C ZINC001082133663 806147904 /nfs/dbraw/zinc/14/79/04/806147904.db2.gz LLKIPODHZYKHKQ-JHJVBQTASA-N 2 2 285.388 -0.722 20 0 CBADLP CO[C@@H]1C[N@H+](CCF)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001082328887 806165804 /nfs/dbraw/zinc/16/58/04/806165804.db2.gz QODAHWFKCCOXQV-VXGBXAGGSA-N 2 2 285.363 -0.133 20 0 CBADLP CO[C@@H]1C[N@@H+](CCF)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001082328887 806165808 /nfs/dbraw/zinc/16/58/08/806165808.db2.gz QODAHWFKCCOXQV-VXGBXAGGSA-N 2 2 285.363 -0.133 20 0 CBADLP CO[C@@H]1C[N@H+](CCCO)C[C@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC001082345892 806168412 /nfs/dbraw/zinc/16/84/12/806168412.db2.gz GYNARCBMQAWJFS-CHWSQXEVSA-N 2 2 296.371 -0.542 20 0 CBADLP CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC001082345892 806168416 /nfs/dbraw/zinc/16/84/16/806168416.db2.gz GYNARCBMQAWJFS-CHWSQXEVSA-N 2 2 296.371 -0.542 20 0 CBADLP C[C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1[NH2+]CCO ZINC001082601428 806187590 /nfs/dbraw/zinc/18/75/90/806187590.db2.gz BDZQWIPFKFEIHO-MBNYWOFBSA-N 2 2 292.383 -0.126 20 0 CBADLP C[C@@H]([NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C)C(N)=O ZINC001082860721 806196489 /nfs/dbraw/zinc/19/64/89/806196489.db2.gz IUQSGSXVZVFPNK-CKYFFXLPSA-N 2 2 293.371 -0.727 20 0 CBADLP CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+](C)CCO3)[C@H]2C1 ZINC001083035672 806216843 /nfs/dbraw/zinc/21/68/43/806216843.db2.gz ZIMPDPDKRFJNEW-BFHYXJOUSA-N 2 2 297.399 -0.361 20 0 CBADLP CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+](C)CCO3)[C@H]2C1 ZINC001083035672 806216849 /nfs/dbraw/zinc/21/68/49/806216849.db2.gz ZIMPDPDKRFJNEW-BFHYXJOUSA-N 2 2 297.399 -0.361 20 0 CBADLP CCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3C[N@H+](C)CCO3)[C@H]2C1 ZINC001083035672 806216856 /nfs/dbraw/zinc/21/68/56/806216856.db2.gz ZIMPDPDKRFJNEW-BFHYXJOUSA-N 2 2 297.399 -0.361 20 0 CBADLP CCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3C[N@@H+](C)CCO3)[C@H]2C1 ZINC001083035672 806216864 /nfs/dbraw/zinc/21/68/64/806216864.db2.gz ZIMPDPDKRFJNEW-BFHYXJOUSA-N 2 2 297.399 -0.361 20 0 CBADLP CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+](C)CCO3)[C@H]2C1 ZINC001083035568 806217579 /nfs/dbraw/zinc/21/75/79/806217579.db2.gz VMWQNVUBVQUJLR-YNEHKIRRSA-N 2 2 283.372 -0.752 20 0 CBADLP CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+](C)CCO3)[C@H]2C1 ZINC001083035568 806217587 /nfs/dbraw/zinc/21/75/87/806217587.db2.gz VMWQNVUBVQUJLR-YNEHKIRRSA-N 2 2 283.372 -0.752 20 0 CBADLP CC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3C[N@H+](C)CCO3)[C@H]2C1 ZINC001083035568 806217591 /nfs/dbraw/zinc/21/75/91/806217591.db2.gz VMWQNVUBVQUJLR-YNEHKIRRSA-N 2 2 283.372 -0.752 20 0 CBADLP CC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3C[N@@H+](C)CCO3)[C@H]2C1 ZINC001083035568 806217597 /nfs/dbraw/zinc/21/75/97/806217597.db2.gz VMWQNVUBVQUJLR-YNEHKIRRSA-N 2 2 283.372 -0.752 20 0 CBADLP CC(C)=CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)[C@@H](O)C1 ZINC001083385243 806297590 /nfs/dbraw/zinc/29/75/90/806297590.db2.gz IEADSYBLVVRBFL-HZSPNIEDSA-N 2 2 297.399 -0.556 20 0 CBADLP CC(C)=CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)[C@@H](O)C1 ZINC001083385243 806297596 /nfs/dbraw/zinc/29/75/96/806297596.db2.gz IEADSYBLVVRBFL-HZSPNIEDSA-N 2 2 297.399 -0.556 20 0 CBADLP CC(C)=CC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@@H](O)C1 ZINC001083385243 806297601 /nfs/dbraw/zinc/29/76/01/806297601.db2.gz IEADSYBLVVRBFL-HZSPNIEDSA-N 2 2 297.399 -0.556 20 0 CBADLP CC(C)=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@@H](O)C1 ZINC001083385243 806297608 /nfs/dbraw/zinc/29/76/08/806297608.db2.gz IEADSYBLVVRBFL-HZSPNIEDSA-N 2 2 297.399 -0.556 20 0 CBADLP CC[N@H+]1C[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@@H](O)C1 ZINC001083477721 806339363 /nfs/dbraw/zinc/33/93/63/806339363.db2.gz ALGGKOUXDPCYRE-OLZOCXBDSA-N 2 2 292.383 -0.057 20 0 CBADLP CC[N@@H+]1C[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@@H](O)C1 ZINC001083477721 806339372 /nfs/dbraw/zinc/33/93/72/806339372.db2.gz ALGGKOUXDPCYRE-OLZOCXBDSA-N 2 2 292.383 -0.057 20 0 CBADLP CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@@H](O)C1 ZINC001083572020 806369279 /nfs/dbraw/zinc/36/92/79/806369279.db2.gz WWUJDGNERVVOMV-WOPDTQHZSA-N 2 2 255.362 -0.348 20 0 CBADLP CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@@H](O)C1 ZINC001083572020 806369286 /nfs/dbraw/zinc/36/92/86/806369286.db2.gz WWUJDGNERVVOMV-WOPDTQHZSA-N 2 2 255.362 -0.348 20 0 CBADLP CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)[C@@H](O)C1 ZINC001083572020 806369294 /nfs/dbraw/zinc/36/92/94/806369294.db2.gz WWUJDGNERVVOMV-WOPDTQHZSA-N 2 2 255.362 -0.348 20 0 CBADLP CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)[C@@H](O)C1 ZINC001083572020 806369303 /nfs/dbraw/zinc/36/93/03/806369303.db2.gz WWUJDGNERVVOMV-WOPDTQHZSA-N 2 2 255.362 -0.348 20 0 CBADLP CC(C)[N@H+]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@@H](O)C1 ZINC001083590321 806374593 /nfs/dbraw/zinc/37/45/93/806374593.db2.gz ASEJNTDGESFXMN-OLZOCXBDSA-N 2 2 296.371 -0.081 20 0 CBADLP CC(C)[N@@H+]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@@H](O)C1 ZINC001083590321 806374602 /nfs/dbraw/zinc/37/46/02/806374602.db2.gz ASEJNTDGESFXMN-OLZOCXBDSA-N 2 2 296.371 -0.081 20 0 CBADLP CC1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCCO)C[C@@H]2O)CC1 ZINC001083888003 806454841 /nfs/dbraw/zinc/45/48/41/806454841.db2.gz VXNYZDQYCASHIK-KGLIPLIRSA-N 2 2 299.415 -0.738 20 0 CBADLP CC1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)CC1 ZINC001083888003 806454846 /nfs/dbraw/zinc/45/48/46/806454846.db2.gz VXNYZDQYCASHIK-KGLIPLIRSA-N 2 2 299.415 -0.738 20 0 CBADLP COC[C@@H](C)[N@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001083954358 806467838 /nfs/dbraw/zinc/46/78/38/806467838.db2.gz WMTOSLDYALMRDG-RTXFEEFZSA-N 2 2 296.371 -0.841 20 0 CBADLP COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001083954358 806467842 /nfs/dbraw/zinc/46/78/42/806467842.db2.gz WMTOSLDYALMRDG-RTXFEEFZSA-N 2 2 296.371 -0.841 20 0 CBADLP CC[N@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001083954068 806468515 /nfs/dbraw/zinc/46/85/15/806468515.db2.gz JMFWZZRKXPFCDD-MNOVXSKESA-N 2 2 252.318 -0.856 20 0 CBADLP CC[N@@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001083954068 806468517 /nfs/dbraw/zinc/46/85/17/806468517.db2.gz JMFWZZRKXPFCDD-MNOVXSKESA-N 2 2 252.318 -0.856 20 0 CBADLP CC(C)C[N@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001083954954 806468851 /nfs/dbraw/zinc/46/88/51/806468851.db2.gz PUEFGOHJDFPEOL-OLZOCXBDSA-N 2 2 280.372 -0.220 20 0 CBADLP CC(C)C[N@@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001083954954 806468856 /nfs/dbraw/zinc/46/88/56/806468856.db2.gz PUEFGOHJDFPEOL-OLZOCXBDSA-N 2 2 280.372 -0.220 20 0 CBADLP COC[C@H](C)[N@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](O)C1 ZINC001083997946 806473404 /nfs/dbraw/zinc/47/34/04/806473404.db2.gz RBRABMQAYWXZAX-BIMULSAOSA-N 2 2 296.371 -0.543 20 0 CBADLP COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](O)C1 ZINC001083997946 806473409 /nfs/dbraw/zinc/47/34/09/806473409.db2.gz RBRABMQAYWXZAX-BIMULSAOSA-N 2 2 296.371 -0.543 20 0 CBADLP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](C/C=C\Cl)C[C@@H]2O)C1 ZINC001084056523 806481235 /nfs/dbraw/zinc/48/12/35/806481235.db2.gz BQXAXSDHJTVPDO-ISEYVEFJSA-N 2 2 287.791 -0.148 20 0 CBADLP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](C/C=C\Cl)C[C@@H]2O)C1 ZINC001084056523 806481241 /nfs/dbraw/zinc/48/12/41/806481241.db2.gz BQXAXSDHJTVPDO-ISEYVEFJSA-N 2 2 287.791 -0.148 20 0 CBADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](C/C=C\Cl)C[C@@H]2O)C1 ZINC001084056523 806481246 /nfs/dbraw/zinc/48/12/46/806481246.db2.gz BQXAXSDHJTVPDO-ISEYVEFJSA-N 2 2 287.791 -0.148 20 0 CBADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](C/C=C\Cl)C[C@@H]2O)C1 ZINC001084056523 806481252 /nfs/dbraw/zinc/48/12/52/806481252.db2.gz BQXAXSDHJTVPDO-ISEYVEFJSA-N 2 2 287.791 -0.148 20 0 CBADLP CO[C@@H](C)C[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001084116281 806491619 /nfs/dbraw/zinc/49/16/19/806491619.db2.gz IVYXSQNUQSBBAQ-TUAOUCFPSA-N 2 2 282.344 -0.921 20 0 CBADLP CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001084116281 806491625 /nfs/dbraw/zinc/49/16/25/806491625.db2.gz IVYXSQNUQSBBAQ-TUAOUCFPSA-N 2 2 282.344 -0.921 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@@H]1O ZINC001084115245 806492130 /nfs/dbraw/zinc/49/21/30/806492130.db2.gz BPTHTHGPJGIRAN-UPJWGTAASA-N 2 2 294.355 -0.919 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@@H]1O ZINC001084115245 806492137 /nfs/dbraw/zinc/49/21/37/806492137.db2.gz BPTHTHGPJGIRAN-UPJWGTAASA-N 2 2 294.355 -0.919 20 0 CBADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[NH+](CC(N)=O)C[C@H]32)CC[N@@H+]1C ZINC001084354689 806514752 /nfs/dbraw/zinc/51/47/52/806514752.db2.gz QZVNKLUHWFSSEQ-FDYHWXHSSA-N 2 2 294.399 -0.655 20 0 CBADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[NH+](CC(N)=O)C[C@H]32)CC[N@H+]1C ZINC001084354689 806514755 /nfs/dbraw/zinc/51/47/55/806514755.db2.gz QZVNKLUHWFSSEQ-FDYHWXHSSA-N 2 2 294.399 -0.655 20 0 CBADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[N@H+](CC(N)=O)C[C@H]32)CC[NH+]1C ZINC001084354689 806514759 /nfs/dbraw/zinc/51/47/59/806514759.db2.gz QZVNKLUHWFSSEQ-FDYHWXHSSA-N 2 2 294.399 -0.655 20 0 CBADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[N@@H+](CC(N)=O)C[C@H]32)CC[NH+]1C ZINC001084354689 806514761 /nfs/dbraw/zinc/51/47/61/806514761.db2.gz QZVNKLUHWFSSEQ-FDYHWXHSSA-N 2 2 294.399 -0.655 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)N1C[C@H]2CC[N@H+](CCO)C[C@H]21 ZINC001084539856 806522884 /nfs/dbraw/zinc/52/28/84/806522884.db2.gz IABCTGMWMVRHPM-CHWSQXEVSA-N 2 2 292.383 -0.122 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)N1C[C@H]2CC[N@@H+](CCO)C[C@H]21 ZINC001084539856 806522890 /nfs/dbraw/zinc/52/28/90/806522890.db2.gz IABCTGMWMVRHPM-CHWSQXEVSA-N 2 2 292.383 -0.122 20 0 CBADLP C[N@@H+]1CC[C@H](CC(=O)N2C[C@H]3CC[NH+](CC(N)=O)C[C@H]32)C1 ZINC001084775349 806535144 /nfs/dbraw/zinc/53/51/44/806535144.db2.gz CCKLCBFYOHIIFQ-JHJVBQTASA-N 2 2 294.399 -0.654 20 0 CBADLP C[N@H+]1CC[C@H](CC(=O)N2C[C@H]3CC[NH+](CC(N)=O)C[C@H]32)C1 ZINC001084775349 806535149 /nfs/dbraw/zinc/53/51/49/806535149.db2.gz CCKLCBFYOHIIFQ-JHJVBQTASA-N 2 2 294.399 -0.654 20 0 CBADLP C[NH+]1CC[C@H](CC(=O)N2C[C@H]3CC[N@H+](CC(N)=O)C[C@H]32)C1 ZINC001084775349 806535153 /nfs/dbraw/zinc/53/51/53/806535153.db2.gz CCKLCBFYOHIIFQ-JHJVBQTASA-N 2 2 294.399 -0.654 20 0 CBADLP C[NH+]1CC[C@H](CC(=O)N2C[C@H]3CC[N@@H+](CC(N)=O)C[C@H]32)C1 ZINC001084775349 806535158 /nfs/dbraw/zinc/53/51/58/806535158.db2.gz CCKLCBFYOHIIFQ-JHJVBQTASA-N 2 2 294.399 -0.654 20 0 CBADLP C[C@@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)[C@@H]2C1 ZINC001084775226 806535459 /nfs/dbraw/zinc/53/54/59/806535459.db2.gz XXTNJXZFLZFCDO-YRGRVCCFSA-N 2 2 292.383 -0.124 20 0 CBADLP C[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)[C@@H]2C1 ZINC001084775226 806535465 /nfs/dbraw/zinc/53/54/65/806535465.db2.gz XXTNJXZFLZFCDO-YRGRVCCFSA-N 2 2 292.383 -0.124 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001084831787 806539660 /nfs/dbraw/zinc/53/96/60/806539660.db2.gz ZMOYXEYWQKZULU-YNEHKIRRSA-N 2 2 294.399 -0.511 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001084831787 806539667 /nfs/dbraw/zinc/53/96/67/806539667.db2.gz ZMOYXEYWQKZULU-YNEHKIRRSA-N 2 2 294.399 -0.511 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CCCC[C@H]1[NH2+]CCO ZINC001085373919 806553315 /nfs/dbraw/zinc/55/33/15/806553315.db2.gz PJYYFWXCXVTFDK-GHMZBOCLSA-N 2 2 266.345 -0.039 20 0 CBADLP NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001085374900 806554344 /nfs/dbraw/zinc/55/43/44/806554344.db2.gz PDMUBFQKBQMFAB-NXEZZACHSA-N 2 2 279.344 -0.546 20 0 CBADLP CN(C[C@@H]1CC[N@@H+]1CCO)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001085676407 806591730 /nfs/dbraw/zinc/59/17/30/806591730.db2.gz ORLGUTJFFGKTND-STQMWFEESA-N 2 2 292.383 -0.030 20 0 CBADLP CN(C[C@@H]1CC[N@H+]1CCO)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001085676407 806591734 /nfs/dbraw/zinc/59/17/34/806591734.db2.gz ORLGUTJFFGKTND-STQMWFEESA-N 2 2 292.383 -0.030 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001085799116 806610849 /nfs/dbraw/zinc/61/08/49/806610849.db2.gz KOMYRNKNDQNZHP-CYBMUJFWSA-N 2 2 296.415 -0.393 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001085799116 806610854 /nfs/dbraw/zinc/61/08/54/806610854.db2.gz KOMYRNKNDQNZHP-CYBMUJFWSA-N 2 2 296.415 -0.393 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001022776201 798840450 /nfs/dbraw/zinc/84/04/50/798840450.db2.gz WZVXVSQIJDOJHI-WCABBAIRSA-N 2 2 277.328 -0.923 20 0 CBADLP O=C(N[C@H]1C[C@@H]([NH2+]CCO)C1)[C@@H](C1CC1)[NH+]1CCOCC1 ZINC001023117599 798884640 /nfs/dbraw/zinc/88/46/40/798884640.db2.gz VUAGNGAYKLTIAF-HZSPNIEDSA-N 2 2 297.399 -0.674 20 0 CBADLP Cc1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)Cn3cc[nH+]c3)C2)[nH]1 ZINC001023161173 798887510 /nfs/dbraw/zinc/88/75/10/798887510.db2.gz QZZLFLRCUKDVFI-PHIMTYICSA-N 2 2 289.343 -0.253 20 0 CBADLP C[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001023161353 798887631 /nfs/dbraw/zinc/88/76/31/798887631.db2.gz WVDCIKILZPGNFS-MXWKQRLJSA-N 2 2 252.318 -0.499 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2CC[C@H]([NH2+]CCO)[C@@H]2C1 ZINC001026432265 799004721 /nfs/dbraw/zinc/00/47/21/799004721.db2.gz QDPBMIKYKNCWNB-XQQFMLRXSA-N 2 2 278.356 -0.298 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001027140315 799032532 /nfs/dbraw/zinc/03/25/32/799032532.db2.gz CLWJJBXSNXQBRZ-MNOVXSKESA-N 2 2 291.355 -0.721 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CC[C@H](C[NH2+]Cc2cnon2)C1 ZINC001027245312 799033187 /nfs/dbraw/zinc/03/31/87/799033187.db2.gz QZSVOOQRQQGKNO-LLVKDONJSA-N 2 2 290.327 -0.096 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001027244524 799033282 /nfs/dbraw/zinc/03/32/82/799033282.db2.gz FCKLDAJYXLIWSB-NWDGAFQWSA-N 2 2 291.355 -0.790 20 0 CBADLP C[N@H+](CC(N)=O)[C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001027387752 799044498 /nfs/dbraw/zinc/04/44/98/799044498.db2.gz CYSGBRCLTHVKET-NSHDSACASA-N 2 2 293.371 -0.250 20 0 CBADLP C[N@@H+](CC(N)=O)[C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001027387752 799044505 /nfs/dbraw/zinc/04/45/05/799044505.db2.gz CYSGBRCLTHVKET-NSHDSACASA-N 2 2 293.371 -0.250 20 0 CBADLP C[N@H+](CCO)[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001027633436 799063377 /nfs/dbraw/zinc/06/33/77/799063377.db2.gz WXGDXPZLOSJQIP-NSHDSACASA-N 2 2 266.345 -0.133 20 0 CBADLP C[N@@H+](CCO)[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001027633436 799063379 /nfs/dbraw/zinc/06/33/79/799063379.db2.gz WXGDXPZLOSJQIP-NSHDSACASA-N 2 2 266.345 -0.133 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N1CCC[C@H]([N@H+](C)CC(N)=O)C1 ZINC001027681942 799065193 /nfs/dbraw/zinc/06/51/93/799065193.db2.gz GCODGJMDHNYRHD-LBPRGKRZSA-N 2 2 293.371 -0.400 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N1CCC[C@H]([N@@H+](C)CC(N)=O)C1 ZINC001027681942 799065197 /nfs/dbraw/zinc/06/51/97/799065197.db2.gz GCODGJMDHNYRHD-LBPRGKRZSA-N 2 2 293.371 -0.400 20 0 CBADLP CNC(=O)C[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001027792803 799078107 /nfs/dbraw/zinc/07/81/07/799078107.db2.gz WPWOYGLZUZGJDM-NWDGAFQWSA-N 2 2 282.388 -0.593 20 0 CBADLP CNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001027792803 799078097 /nfs/dbraw/zinc/07/80/97/799078097.db2.gz WPWOYGLZUZGJDM-NWDGAFQWSA-N 2 2 282.388 -0.593 20 0 CBADLP CNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001027792803 799078104 /nfs/dbraw/zinc/07/81/04/799078104.db2.gz WPWOYGLZUZGJDM-NWDGAFQWSA-N 2 2 282.388 -0.593 20 0 CBADLP CNC(=O)C[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001027792803 799078114 /nfs/dbraw/zinc/07/81/14/799078114.db2.gz WPWOYGLZUZGJDM-NWDGAFQWSA-N 2 2 282.388 -0.593 20 0 CBADLP CN(C)C(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001027795249 799080024 /nfs/dbraw/zinc/08/00/24/799080024.db2.gz RPOGLBFLSQARHO-STQMWFEESA-N 2 2 296.415 -0.251 20 0 CBADLP CN(C)C(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001027795249 799080034 /nfs/dbraw/zinc/08/00/34/799080034.db2.gz RPOGLBFLSQARHO-STQMWFEESA-N 2 2 296.415 -0.251 20 0 CBADLP CN(C)C(=O)C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001027795249 799080043 /nfs/dbraw/zinc/08/00/43/799080043.db2.gz RPOGLBFLSQARHO-STQMWFEESA-N 2 2 296.415 -0.251 20 0 CBADLP CN(C)C(=O)C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001027795249 799080050 /nfs/dbraw/zinc/08/00/50/799080050.db2.gz RPOGLBFLSQARHO-STQMWFEESA-N 2 2 296.415 -0.251 20 0 CBADLP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CC(N)=O ZINC001028335352 799124433 /nfs/dbraw/zinc/12/44/33/799124433.db2.gz SNFGUEVQYPNUOL-OLZOCXBDSA-N 2 2 296.415 -0.073 20 0 CBADLP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CC(N)=O ZINC001028335352 799124435 /nfs/dbraw/zinc/12/44/35/799124435.db2.gz SNFGUEVQYPNUOL-OLZOCXBDSA-N 2 2 296.415 -0.073 20 0 CBADLP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC(N)=O ZINC001028335352 799124437 /nfs/dbraw/zinc/12/44/37/799124437.db2.gz SNFGUEVQYPNUOL-OLZOCXBDSA-N 2 2 296.415 -0.073 20 0 CBADLP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CC(N)=O ZINC001028335352 799124439 /nfs/dbraw/zinc/12/44/39/799124439.db2.gz SNFGUEVQYPNUOL-OLZOCXBDSA-N 2 2 296.415 -0.073 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CC[NH+](CCF)C2)C1 ZINC001028465958 799140246 /nfs/dbraw/zinc/14/02/46/799140246.db2.gz NTCRSFBKVMMVDQ-RYUDHWBXSA-N 2 2 273.352 -0.275 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CC[NH+](CCF)C2)C1 ZINC001028465958 799140247 /nfs/dbraw/zinc/14/02/47/799140247.db2.gz NTCRSFBKVMMVDQ-RYUDHWBXSA-N 2 2 273.352 -0.275 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2CC[N@H+](CCF)C2)C1 ZINC001028465958 799140250 /nfs/dbraw/zinc/14/02/50/799140250.db2.gz NTCRSFBKVMMVDQ-RYUDHWBXSA-N 2 2 273.352 -0.275 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2CC[N@@H+](CCF)C2)C1 ZINC001028465958 799140251 /nfs/dbraw/zinc/14/02/51/799140251.db2.gz NTCRSFBKVMMVDQ-RYUDHWBXSA-N 2 2 273.352 -0.275 20 0 CBADLP O=C(NC[C@H]1CC[N@@H+](CCO)C1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001028638581 799155785 /nfs/dbraw/zinc/15/57/85/799155785.db2.gz LWSBDYQOLLJORP-CHWSQXEVSA-N 2 2 292.383 -0.124 20 0 CBADLP O=C(NC[C@H]1CC[N@H+](CCO)C1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001028638581 799155787 /nfs/dbraw/zinc/15/57/87/799155787.db2.gz LWSBDYQOLLJORP-CHWSQXEVSA-N 2 2 292.383 -0.124 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001030032311 799215459 /nfs/dbraw/zinc/21/54/59/799215459.db2.gz UKPUUNNQEHFFCQ-SDDRHHMPSA-N 2 2 282.388 -0.465 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001030032311 799215465 /nfs/dbraw/zinc/21/54/65/799215465.db2.gz UKPUUNNQEHFFCQ-SDDRHHMPSA-N 2 2 282.388 -0.465 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001030032311 799215471 /nfs/dbraw/zinc/21/54/71/799215471.db2.gz UKPUUNNQEHFFCQ-SDDRHHMPSA-N 2 2 282.388 -0.465 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001030032311 799215477 /nfs/dbraw/zinc/21/54/77/799215477.db2.gz UKPUUNNQEHFFCQ-SDDRHHMPSA-N 2 2 282.388 -0.465 20 0 CBADLP CCCC[NH+]1CC(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001030180240 799257733 /nfs/dbraw/zinc/25/77/33/799257733.db2.gz MREDRRROUIMIDD-GFCCVEGCSA-N 2 2 255.362 -0.083 20 0 CBADLP CCCC[NH+]1CC(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001030180240 799257738 /nfs/dbraw/zinc/25/77/38/799257738.db2.gz MREDRRROUIMIDD-GFCCVEGCSA-N 2 2 255.362 -0.083 20 0 CBADLP C[C@@H](O)C[NH+]1CC(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001030323408 799297505 /nfs/dbraw/zinc/29/75/05/799297505.db2.gz LRKBYKWQGXKSQA-ZWNOBZJWSA-N 2 2 267.373 -0.491 20 0 CBADLP CC[NH+]1CC(NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001030328951 799297572 /nfs/dbraw/zinc/29/75/72/799297572.db2.gz HCZQHWWSNBODDE-UHFFFAOYSA-N 2 2 265.361 -0.121 20 0 CBADLP CCC[NH+]1CC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001030516897 799331091 /nfs/dbraw/zinc/33/10/91/799331091.db2.gz MXELGYZNRUXNAF-ZYHUDNBSSA-N 2 2 255.362 -0.084 20 0 CBADLP CCC[NH+]1CC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001030516897 799331098 /nfs/dbraw/zinc/33/10/98/799331098.db2.gz MXELGYZNRUXNAF-ZYHUDNBSSA-N 2 2 255.362 -0.084 20 0 CBADLP C[C@H](O)C[NH+]1CC(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001030891675 799406043 /nfs/dbraw/zinc/40/60/43/799406043.db2.gz JZYSEBPAKAQOST-JTQLQIEISA-N 2 2 255.362 -0.491 20 0 CBADLP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NC1CN(Cc2c[nH+]cn2C)C1 ZINC001030959958 799417766 /nfs/dbraw/zinc/41/77/66/799417766.db2.gz HFVXXWSIDGZOAV-FZMZJTMJSA-N 2 2 291.399 -0.082 20 0 CBADLP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CN(Cc2c[nH+]cn2C)C1 ZINC001030959958 799417771 /nfs/dbraw/zinc/41/77/71/799417771.db2.gz HFVXXWSIDGZOAV-FZMZJTMJSA-N 2 2 291.399 -0.082 20 0 CBADLP Cn1c[nH+]cc1CN1CC(NC(=O)C[NH+]2CCCC2)C1 ZINC001031389220 799483253 /nfs/dbraw/zinc/48/32/53/799483253.db2.gz HMBDDANKZORXPS-UHFFFAOYSA-N 2 2 277.372 -0.184 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)NC2C[NH+](CC3CC3)C2)C1 ZINC001031418461 799487787 /nfs/dbraw/zinc/48/77/87/799487787.db2.gz KHUJFRJWLRLQFG-CYBMUJFWSA-N 2 2 267.373 -0.083 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)NC2C[NH+](CC3CC3)C2)C1 ZINC001031418461 799487789 /nfs/dbraw/zinc/48/77/89/799487789.db2.gz KHUJFRJWLRLQFG-CYBMUJFWSA-N 2 2 267.373 -0.083 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001031579897 799512532 /nfs/dbraw/zinc/51/25/32/799512532.db2.gz OAKCFOYTJWJULJ-NWDGAFQWSA-N 2 2 280.372 -0.983 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001031579897 799512535 /nfs/dbraw/zinc/51/25/35/799512535.db2.gz OAKCFOYTJWJULJ-NWDGAFQWSA-N 2 2 280.372 -0.983 20 0 CBADLP C[C@@H]1[C@H](C(=O)NCC2C[NH+]([C@H]3CCNC3=O)C2)CC[N@@H+]1C ZINC001031682690 799532158 /nfs/dbraw/zinc/53/21/58/799532158.db2.gz RAWOLROYNDIGSK-RTXFEEFZSA-N 2 2 294.399 -0.737 20 0 CBADLP C[C@@H]1[C@H](C(=O)NCC2C[NH+]([C@H]3CCNC3=O)C2)CC[N@H+]1C ZINC001031682690 799532160 /nfs/dbraw/zinc/53/21/60/799532160.db2.gz RAWOLROYNDIGSK-RTXFEEFZSA-N 2 2 294.399 -0.737 20 0 CBADLP C[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001031776822 799541938 /nfs/dbraw/zinc/54/19/38/799541938.db2.gz OYICLLJBPMAGIA-NSHDSACASA-N 2 2 268.361 -0.996 20 0 CBADLP C[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001031776822 799541941 /nfs/dbraw/zinc/54/19/41/799541941.db2.gz OYICLLJBPMAGIA-NSHDSACASA-N 2 2 268.361 -0.996 20 0 CBADLP NC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001031767125 799543087 /nfs/dbraw/zinc/54/30/87/799543087.db2.gz RPKPOUKBTFVIJZ-OLZOCXBDSA-N 2 2 294.399 -0.463 20 0 CBADLP NC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001031767125 799543092 /nfs/dbraw/zinc/54/30/92/799543092.db2.gz RPKPOUKBTFVIJZ-OLZOCXBDSA-N 2 2 294.399 -0.463 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001031812219 799548140 /nfs/dbraw/zinc/54/81/40/799548140.db2.gz RUAKNOKSRQROBA-NSHDSACASA-N 2 2 294.399 -0.463 20 0 CBADLP CN(C)C(=O)C[NH+]1CC(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001031947908 799565321 /nfs/dbraw/zinc/56/53/21/799565321.db2.gz NIWMZHIBBKCMMR-UHFFFAOYSA-N 2 2 296.415 -0.536 20 0 CBADLP CNC(=O)C[NH+]1CC(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001031948316 799565661 /nfs/dbraw/zinc/56/56/61/799565661.db2.gz UJTHXSIUPXUREC-UHFFFAOYSA-N 2 2 282.388 -0.878 20 0 CBADLP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001032027552 799573932 /nfs/dbraw/zinc/57/39/32/799573932.db2.gz UZHRRZPDZJDYPS-CYBMUJFWSA-N 2 2 296.415 -0.217 20 0 CBADLP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001032027552 799573933 /nfs/dbraw/zinc/57/39/33/799573933.db2.gz UZHRRZPDZJDYPS-CYBMUJFWSA-N 2 2 296.415 -0.217 20 0 CBADLP CC(C)[NH+]1CCC(C(=O)NCC2C[NH+](CC(N)=O)C2)CC1 ZINC001032095511 799581852 /nfs/dbraw/zinc/58/18/52/799581852.db2.gz ZFQIHJKMNTZHKP-UHFFFAOYSA-N 2 2 296.415 -0.360 20 0 CBADLP O=C(NCC1C[NH+]([C@H]2CCNC2=O)C1)C12CC[NH+](CC1)C2 ZINC001032130670 799584757 /nfs/dbraw/zinc/58/47/57/799584757.db2.gz YDBCONGGZCGKSQ-LBPRGKRZSA-N 2 2 292.383 -0.981 20 0 CBADLP Cn1cncc1C[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001032182567 799591173 /nfs/dbraw/zinc/59/11/73/799591173.db2.gz NRVBDYSOROOSCH-CYBMUJFWSA-N 2 2 291.399 -0.080 20 0 CBADLP Cn1cncc1C[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001032182567 799591176 /nfs/dbraw/zinc/59/11/76/799591176.db2.gz NRVBDYSOROOSCH-CYBMUJFWSA-N 2 2 291.399 -0.080 20 0 CBADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1C[C@@H]2C[C@H]1C[N@H+]2CCO ZINC001032485425 799632560 /nfs/dbraw/zinc/63/25/60/799632560.db2.gz PAEAQHWUOYNSSZ-UBHSHLNASA-N 2 2 290.367 -0.277 20 0 CBADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCO ZINC001032485425 799632564 /nfs/dbraw/zinc/63/25/64/799632564.db2.gz PAEAQHWUOYNSSZ-UBHSHLNASA-N 2 2 290.367 -0.277 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H]1CCNC1=O ZINC001032651619 799653267 /nfs/dbraw/zinc/65/32/67/799653267.db2.gz DLSBCCDFBWGRAF-SRVKXCTJSA-N 2 2 289.339 -0.874 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CCNC1=O ZINC001032651619 799653270 /nfs/dbraw/zinc/65/32/70/799653270.db2.gz DLSBCCDFBWGRAF-SRVKXCTJSA-N 2 2 289.339 -0.874 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001032829846 799673389 /nfs/dbraw/zinc/67/33/89/799673389.db2.gz JNEZBMKTDTWULS-AVGNSLFASA-N 2 2 296.415 -0.075 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001032829846 799673392 /nfs/dbraw/zinc/67/33/92/799673392.db2.gz JNEZBMKTDTWULS-AVGNSLFASA-N 2 2 296.415 -0.075 20 0 CBADLP CC[C@@H](C(N)=O)[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001032829846 799673394 /nfs/dbraw/zinc/67/33/94/799673394.db2.gz JNEZBMKTDTWULS-AVGNSLFASA-N 2 2 296.415 -0.075 20 0 CBADLP CC[C@@H](C(N)=O)[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001032829846 799673399 /nfs/dbraw/zinc/67/33/99/799673399.db2.gz JNEZBMKTDTWULS-AVGNSLFASA-N 2 2 296.415 -0.075 20 0 CBADLP COCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001032978172 799698510 /nfs/dbraw/zinc/69/85/10/799698510.db2.gz XWMXYSQUPDMZJW-CHWSQXEVSA-N 2 2 285.388 -0.504 20 0 CBADLP COCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001032978172 799698514 /nfs/dbraw/zinc/69/85/14/799698514.db2.gz XWMXYSQUPDMZJW-CHWSQXEVSA-N 2 2 285.388 -0.504 20 0 CBADLP COCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001032978172 799698518 /nfs/dbraw/zinc/69/85/18/799698518.db2.gz XWMXYSQUPDMZJW-CHWSQXEVSA-N 2 2 285.388 -0.504 20 0 CBADLP COCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001032978172 799698521 /nfs/dbraw/zinc/69/85/21/799698521.db2.gz XWMXYSQUPDMZJW-CHWSQXEVSA-N 2 2 285.388 -0.504 20 0 CBADLP CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033083159 799716142 /nfs/dbraw/zinc/71/61/42/799716142.db2.gz VZMMTRCYAOFOLM-QWHCGFSZSA-N 2 2 294.399 -0.654 20 0 CBADLP CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033083159 799716145 /nfs/dbraw/zinc/71/61/45/799716145.db2.gz VZMMTRCYAOFOLM-QWHCGFSZSA-N 2 2 294.399 -0.654 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001033197187 799723101 /nfs/dbraw/zinc/72/31/01/799723101.db2.gz HHEYJYLKMXGYKA-CHWSQXEVSA-N 2 2 296.415 -0.251 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001033197187 799723107 /nfs/dbraw/zinc/72/31/07/799723107.db2.gz HHEYJYLKMXGYKA-CHWSQXEVSA-N 2 2 296.415 -0.251 20 0 CBADLP CNC(=O)C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001033197187 799723112 /nfs/dbraw/zinc/72/31/12/799723112.db2.gz HHEYJYLKMXGYKA-CHWSQXEVSA-N 2 2 296.415 -0.251 20 0 CBADLP CNC(=O)C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001033197187 799723117 /nfs/dbraw/zinc/72/31/17/799723117.db2.gz HHEYJYLKMXGYKA-CHWSQXEVSA-N 2 2 296.415 -0.251 20 0 CBADLP CN(C(=O)[C@H]1CCCC[NH+]1C)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033199778 799725419 /nfs/dbraw/zinc/72/54/19/799725419.db2.gz YFWSHAXPOLVFLF-NWDGAFQWSA-N 2 2 282.388 -0.511 20 0 CBADLP CN(C(=O)[C@H]1CCCC[NH+]1C)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033199778 799725425 /nfs/dbraw/zinc/72/54/25/799725425.db2.gz YFWSHAXPOLVFLF-NWDGAFQWSA-N 2 2 282.388 -0.511 20 0 CBADLP CN(C(=O)[C@H]1CCCC[N@@H+]1C)[C@H]1CC[NH+](CC(N)=O)C1 ZINC001033199778 799725429 /nfs/dbraw/zinc/72/54/29/799725429.db2.gz YFWSHAXPOLVFLF-NWDGAFQWSA-N 2 2 282.388 -0.511 20 0 CBADLP CN(C(=O)[C@H]1CCCC[N@H+]1C)[C@H]1CC[NH+](CC(N)=O)C1 ZINC001033199778 799725434 /nfs/dbraw/zinc/72/54/34/799725434.db2.gz YFWSHAXPOLVFLF-NWDGAFQWSA-N 2 2 282.388 -0.511 20 0 CBADLP CN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033391283 799750680 /nfs/dbraw/zinc/75/06/80/799750680.db2.gz QRBKQTASGULVGL-GFCCVEGCSA-N 2 2 282.388 -0.654 20 0 CBADLP CN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033391283 799750684 /nfs/dbraw/zinc/75/06/84/799750684.db2.gz QRBKQTASGULVGL-GFCCVEGCSA-N 2 2 282.388 -0.654 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001033454723 799756600 /nfs/dbraw/zinc/75/66/00/799756600.db2.gz GHSAAITVMROARE-VXGBXAGGSA-N 2 2 293.371 -0.251 20 0 CBADLP CC[C@H](C(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001033454723 799756604 /nfs/dbraw/zinc/75/66/04/799756604.db2.gz GHSAAITVMROARE-VXGBXAGGSA-N 2 2 293.371 -0.251 20 0 CBADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@H+](CCO)C1 ZINC001033456685 799757723 /nfs/dbraw/zinc/75/77/23/799757723.db2.gz YBZNMZKOMAKRHN-LLVKDONJSA-N 2 2 252.318 -0.523 20 0 CBADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@@H+](CCO)C1 ZINC001033456685 799757729 /nfs/dbraw/zinc/75/77/29/799757729.db2.gz YBZNMZKOMAKRHN-LLVKDONJSA-N 2 2 252.318 -0.523 20 0 CBADLP CCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@@H]1CC[N@H+](CCOC)C1 ZINC001033788650 799790688 /nfs/dbraw/zinc/79/06/88/799790688.db2.gz JGRNMRYQPCTRGL-ZIAGYGMSSA-N 2 2 299.415 -0.114 20 0 CBADLP CCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@@H]1CC[N@@H+](CCOC)C1 ZINC001033788650 799790691 /nfs/dbraw/zinc/79/06/91/799790691.db2.gz JGRNMRYQPCTRGL-ZIAGYGMSSA-N 2 2 299.415 -0.114 20 0 CBADLP CCN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@@H]1CC[NH+](CCOC)C1 ZINC001033788650 799790696 /nfs/dbraw/zinc/79/06/96/799790696.db2.gz JGRNMRYQPCTRGL-ZIAGYGMSSA-N 2 2 299.415 -0.114 20 0 CBADLP CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@@H]1CC[NH+](CCOC)C1 ZINC001033788650 799790698 /nfs/dbraw/zinc/79/06/98/799790698.db2.gz JGRNMRYQPCTRGL-ZIAGYGMSSA-N 2 2 299.415 -0.114 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCCC[N@H+](CC(N)=O)C1 ZINC001034310335 799828957 /nfs/dbraw/zinc/82/89/57/799828957.db2.gz WLEUSCWDAZFMJD-LBPRGKRZSA-N 2 2 293.371 -0.352 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCCC[N@@H+](CC(N)=O)C1 ZINC001034310335 799828961 /nfs/dbraw/zinc/82/89/61/799828961.db2.gz WLEUSCWDAZFMJD-LBPRGKRZSA-N 2 2 293.371 -0.352 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCC[N@H+](CCO)C1 ZINC001034491053 799845060 /nfs/dbraw/zinc/84/50/60/799845060.db2.gz PIJKBAUMTSYTBW-GFCCVEGCSA-N 2 2 280.372 -0.074 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCC[N@@H+](CCO)C1 ZINC001034491053 799845063 /nfs/dbraw/zinc/84/50/63/799845063.db2.gz PIJKBAUMTSYTBW-GFCCVEGCSA-N 2 2 280.372 -0.074 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@@H]1C[NH2+][C@H]1CCNC1=O ZINC001035063423 799866789 /nfs/dbraw/zinc/86/67/89/799866789.db2.gz UKTMGGRLTYTMNI-NEPJUHHUSA-N 2 2 291.355 -0.579 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](CC3CC3)CCO2)C1 ZINC001035325842 799891294 /nfs/dbraw/zinc/89/12/94/799891294.db2.gz DCAQCQXFVQNNMN-ZIAGYGMSSA-N 2 2 297.399 -0.456 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](CC3CC3)CCO2)C1 ZINC001035325842 799891301 /nfs/dbraw/zinc/89/13/01/799891301.db2.gz DCAQCQXFVQNNMN-ZIAGYGMSSA-N 2 2 297.399 -0.456 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@H+](CC3CC3)CCO2)C1 ZINC001035325842 799891303 /nfs/dbraw/zinc/89/13/03/799891303.db2.gz DCAQCQXFVQNNMN-ZIAGYGMSSA-N 2 2 297.399 -0.456 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@@H+](CC3CC3)CCO2)C1 ZINC001035325842 799891310 /nfs/dbraw/zinc/89/13/10/799891310.db2.gz DCAQCQXFVQNNMN-ZIAGYGMSSA-N 2 2 297.399 -0.456 20 0 CBADLP CCCC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001035327725 799893300 /nfs/dbraw/zinc/89/33/00/799893300.db2.gz MXRUUONXRMPRBX-UONOGXRCSA-N 2 2 299.415 -0.066 20 0 CBADLP CCCC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001035327725 799893307 /nfs/dbraw/zinc/89/33/07/799893307.db2.gz MXRUUONXRMPRBX-UONOGXRCSA-N 2 2 299.415 -0.066 20 0 CBADLP CCCC[NH+]1CCO[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001035327725 799893314 /nfs/dbraw/zinc/89/33/14/799893314.db2.gz MXRUUONXRMPRBX-UONOGXRCSA-N 2 2 299.415 -0.066 20 0 CBADLP CCCC[NH+]1CCO[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001035327725 799893319 /nfs/dbraw/zinc/89/33/19/799893319.db2.gz MXRUUONXRMPRBX-UONOGXRCSA-N 2 2 299.415 -0.066 20 0 CBADLP CCC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001035329100 799893374 /nfs/dbraw/zinc/89/33/74/799893374.db2.gz ZKLDPKIKUNACEX-STQMWFEESA-N 2 2 285.388 -0.456 20 0 CBADLP CCC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001035329100 799893381 /nfs/dbraw/zinc/89/33/81/799893381.db2.gz ZKLDPKIKUNACEX-STQMWFEESA-N 2 2 285.388 -0.456 20 0 CBADLP CCC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001035329100 799893389 /nfs/dbraw/zinc/89/33/89/799893389.db2.gz ZKLDPKIKUNACEX-STQMWFEESA-N 2 2 285.388 -0.456 20 0 CBADLP CCC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001035329100 799893399 /nfs/dbraw/zinc/89/33/99/799893399.db2.gz ZKLDPKIKUNACEX-STQMWFEESA-N 2 2 285.388 -0.456 20 0 CBADLP O=C(NC[C@@H]1C[N@H+](CCO)CCO1)[C@H]1C[NH+]2CCC1CC2 ZINC001035369956 799910634 /nfs/dbraw/zinc/91/06/34/799910634.db2.gz LCASZYRUJLQBIO-KGLIPLIRSA-N 2 2 297.399 -0.863 20 0 CBADLP O=C(NC[C@@H]1C[N@@H+](CCO)CCO1)[C@H]1C[NH+]2CCC1CC2 ZINC001035369956 799910637 /nfs/dbraw/zinc/91/06/37/799910637.db2.gz LCASZYRUJLQBIO-KGLIPLIRSA-N 2 2 297.399 -0.863 20 0 CBADLP COCC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001035418116 799917396 /nfs/dbraw/zinc/91/73/96/799917396.db2.gz WNOOHFPDALQQFZ-ZIAGYGMSSA-N 2 2 299.415 -0.066 20 0 CBADLP COCC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001035418116 799917400 /nfs/dbraw/zinc/91/74/00/799917400.db2.gz WNOOHFPDALQQFZ-ZIAGYGMSSA-N 2 2 299.415 -0.066 20 0 CBADLP COCC[NH+]1CCO[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001035418116 799917404 /nfs/dbraw/zinc/91/74/04/799917404.db2.gz WNOOHFPDALQQFZ-ZIAGYGMSSA-N 2 2 299.415 -0.066 20 0 CBADLP COCC[NH+]1CCO[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001035418116 799917407 /nfs/dbraw/zinc/91/74/07/799917407.db2.gz WNOOHFPDALQQFZ-ZIAGYGMSSA-N 2 2 299.415 -0.066 20 0 CBADLP COCC[N@@H+]1CCO[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001035492355 799930634 /nfs/dbraw/zinc/93/06/34/799930634.db2.gz KGJOCYSJJAHTSU-AWEZNQCLSA-N 2 2 299.415 -0.208 20 0 CBADLP COCC[N@H+]1CCO[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001035492355 799930641 /nfs/dbraw/zinc/93/06/41/799930641.db2.gz KGJOCYSJJAHTSU-AWEZNQCLSA-N 2 2 299.415 -0.208 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC2(C[NH+](CC(N)=O)C2)CC1 ZINC001035668837 799957592 /nfs/dbraw/zinc/95/75/92/799957592.db2.gz LJJGJAJFKMLTDN-GFCCVEGCSA-N 2 2 294.399 -0.510 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCC2(C[NH+](CC(N)=O)C2)CC1 ZINC001035668837 799957596 /nfs/dbraw/zinc/95/75/96/799957596.db2.gz LJJGJAJFKMLTDN-GFCCVEGCSA-N 2 2 294.399 -0.510 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N1CCC2(C[NH+](CCO)C2)CC1 ZINC001035825454 799965075 /nfs/dbraw/zinc/96/50/75/799965075.db2.gz KWJSNDXMLPUGMQ-UHFFFAOYSA-N 2 2 278.356 -0.131 20 0 CBADLP C[N@@H+]1CC[C@H](C(=O)N2CCC3(C[NH+](CC(N)=O)C3)CC2)C1 ZINC001035853489 799966087 /nfs/dbraw/zinc/96/60/87/799966087.db2.gz XKCHKEPAQHANCF-LBPRGKRZSA-N 2 2 294.399 -0.652 20 0 CBADLP C[N@H+]1CC[C@H](C(=O)N2CCC3(C[NH+](CC(N)=O)C3)CC2)C1 ZINC001035853489 799966090 /nfs/dbraw/zinc/96/60/90/799966090.db2.gz XKCHKEPAQHANCF-LBPRGKRZSA-N 2 2 294.399 -0.652 20 0 CBADLP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@@H]1[NH2+]CCO ZINC001036194853 799983130 /nfs/dbraw/zinc/98/31/30/799983130.db2.gz SICKTCAPXPONIB-JQWIXIFHSA-N 2 2 266.345 -0.229 20 0 CBADLP C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[C@@H]1[NH2+]CC(N)=O ZINC001036251256 799983789 /nfs/dbraw/zinc/98/37/89/799983789.db2.gz BZJGIOWZXYPIJU-JQWIXIFHSA-N 2 2 293.371 -0.726 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2[C@H](CC[N@H+]2CCO)C1 ZINC001036829634 800010434 /nfs/dbraw/zinc/01/04/34/800010434.db2.gz ITZMUMKAJVXJKA-YPMHNXCESA-N 2 2 278.356 -0.133 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2[C@H](CC[N@@H+]2CCO)C1 ZINC001036829634 800010441 /nfs/dbraw/zinc/01/04/41/800010441.db2.gz ITZMUMKAJVXJKA-YPMHNXCESA-N 2 2 278.356 -0.133 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H]2[C@H](CC[N@H+]2CCO)C1 ZINC001036910815 800013455 /nfs/dbraw/zinc/01/34/55/800013455.db2.gz ZZMKNTQCRJDMIQ-CHWSQXEVSA-N 2 2 278.356 -0.202 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H]2[C@H](CC[N@@H+]2CCO)C1 ZINC001036910815 800013460 /nfs/dbraw/zinc/01/34/60/800013460.db2.gz ZZMKNTQCRJDMIQ-CHWSQXEVSA-N 2 2 278.356 -0.202 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[NH+]2CCCF)C1 ZINC001038137284 800061266 /nfs/dbraw/zinc/06/12/66/800061266.db2.gz OWSYURIPZACLPH-VXGBXAGGSA-N 2 2 273.352 -0.133 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[NH+]2CCCF)C1 ZINC001038137284 800061274 /nfs/dbraw/zinc/06/12/74/800061274.db2.gz OWSYURIPZACLPH-VXGBXAGGSA-N 2 2 273.352 -0.133 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)NC[C@H]2CC[N@@H+]2CCCF)C1 ZINC001038137284 800061281 /nfs/dbraw/zinc/06/12/81/800061281.db2.gz OWSYURIPZACLPH-VXGBXAGGSA-N 2 2 273.352 -0.133 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)NC[C@H]2CC[N@H+]2CCCF)C1 ZINC001038137284 800061290 /nfs/dbraw/zinc/06/12/90/800061290.db2.gz OWSYURIPZACLPH-VXGBXAGGSA-N 2 2 273.352 -0.133 20 0 CBADLP O=C(NC[C@@H]1CC[N@H+]1CCO)[C@@H]1CCCc2[nH+]ccn21 ZINC001038345172 800100272 /nfs/dbraw/zinc/10/02/72/800100272.db2.gz JTDOFGOHKWSWDC-RYUDHWBXSA-N 2 2 278.356 -0.057 20 0 CBADLP O=C(NC[C@@H]1CC[N@@H+]1CCO)[C@@H]1CCCc2[nH+]ccn21 ZINC001038345172 800100274 /nfs/dbraw/zinc/10/02/74/800100274.db2.gz JTDOFGOHKWSWDC-RYUDHWBXSA-N 2 2 278.356 -0.057 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CC[NH+]2CCCO)O1 ZINC001038401132 800106467 /nfs/dbraw/zinc/10/64/67/800106467.db2.gz SLVVLTPCBWDVSU-JHJVBQTASA-N 2 2 285.388 -0.722 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CC[NH+]2CCCO)O1 ZINC001038401132 800106470 /nfs/dbraw/zinc/10/64/70/800106470.db2.gz SLVVLTPCBWDVSU-JHJVBQTASA-N 2 2 285.388 -0.722 20 0 CBADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CC[N@@H+]2CCCO)O1 ZINC001038401132 800106472 /nfs/dbraw/zinc/10/64/72/800106472.db2.gz SLVVLTPCBWDVSU-JHJVBQTASA-N 2 2 285.388 -0.722 20 0 CBADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CC[N@H+]2CCCO)O1 ZINC001038401132 800106476 /nfs/dbraw/zinc/10/64/76/800106476.db2.gz SLVVLTPCBWDVSU-JHJVBQTASA-N 2 2 285.388 -0.722 20 0 CBADLP COCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001038622847 801227086 /nfs/dbraw/zinc/22/70/86/801227086.db2.gz AUIOMGJJHKEQKX-UONOGXRCSA-N 2 2 299.415 -0.068 20 0 CBADLP COCC[N@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001038622847 801227093 /nfs/dbraw/zinc/22/70/93/801227093.db2.gz AUIOMGJJHKEQKX-UONOGXRCSA-N 2 2 299.415 -0.068 20 0 CBADLP COCC[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001038622847 801227097 /nfs/dbraw/zinc/22/70/97/801227097.db2.gz AUIOMGJJHKEQKX-UONOGXRCSA-N 2 2 299.415 -0.068 20 0 CBADLP COCC[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001038622847 801227102 /nfs/dbraw/zinc/22/71/02/801227102.db2.gz AUIOMGJJHKEQKX-UONOGXRCSA-N 2 2 299.415 -0.068 20 0 CBADLP COCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001038622846 801227182 /nfs/dbraw/zinc/22/71/82/801227182.db2.gz AUIOMGJJHKEQKX-KGLIPLIRSA-N 2 2 299.415 -0.068 20 0 CBADLP COCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001038622846 801227188 /nfs/dbraw/zinc/22/71/88/801227188.db2.gz AUIOMGJJHKEQKX-KGLIPLIRSA-N 2 2 299.415 -0.068 20 0 CBADLP COCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001038622846 801227192 /nfs/dbraw/zinc/22/71/92/801227192.db2.gz AUIOMGJJHKEQKX-KGLIPLIRSA-N 2 2 299.415 -0.068 20 0 CBADLP COCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001038622846 801227197 /nfs/dbraw/zinc/22/71/97/801227197.db2.gz AUIOMGJJHKEQKX-KGLIPLIRSA-N 2 2 299.415 -0.068 20 0 CBADLP C[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+]2[C@@H]2CCNC2=O)CC1 ZINC001038663925 801233198 /nfs/dbraw/zinc/23/31/98/801233198.db2.gz RDROQILKDRAXQW-CHWSQXEVSA-N 2 2 294.399 -0.593 20 0 CBADLP C[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+]2[C@@H]2CCNC2=O)CC1 ZINC001038663925 801233205 /nfs/dbraw/zinc/23/32/05/801233205.db2.gz RDROQILKDRAXQW-CHWSQXEVSA-N 2 2 294.399 -0.593 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001038673099 801236595 /nfs/dbraw/zinc/23/65/95/801236595.db2.gz ZPTLHOHDRXPASD-QWHCGFSZSA-N 2 2 296.415 -0.217 20 0 CBADLP CC[C@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001038673099 801236601 /nfs/dbraw/zinc/23/66/01/801236601.db2.gz ZPTLHOHDRXPASD-QWHCGFSZSA-N 2 2 296.415 -0.217 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001038927699 801267886 /nfs/dbraw/zinc/26/78/86/801267886.db2.gz ZNODXNPYZOPNGJ-NEPJUHHUSA-N 2 2 294.399 -0.593 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001038927699 801267887 /nfs/dbraw/zinc/26/78/87/801267887.db2.gz ZNODXNPYZOPNGJ-NEPJUHHUSA-N 2 2 294.399 -0.593 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[NH+]2CCCO)C1 ZINC001039041435 801283918 /nfs/dbraw/zinc/28/39/18/801283918.db2.gz YKKOGKPBLFPRJH-OLZOCXBDSA-N 2 2 285.388 -0.720 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[NH+]2CCCO)C1 ZINC001039041435 801283922 /nfs/dbraw/zinc/28/39/22/801283922.db2.gz YKKOGKPBLFPRJH-OLZOCXBDSA-N 2 2 285.388 -0.720 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)NC[C@H]2CC[N@@H+]2CCCO)C1 ZINC001039041435 801283927 /nfs/dbraw/zinc/28/39/27/801283927.db2.gz YKKOGKPBLFPRJH-OLZOCXBDSA-N 2 2 285.388 -0.720 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)NC[C@H]2CC[N@H+]2CCCO)C1 ZINC001039041435 801283931 /nfs/dbraw/zinc/28/39/31/801283931.db2.gz YKKOGKPBLFPRJH-OLZOCXBDSA-N 2 2 285.388 -0.720 20 0 CBADLP NC(=O)C[N@@H+]1CC[C@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001041855687 801424220 /nfs/dbraw/zinc/42/42/20/801424220.db2.gz MYVCBTAPHIVYLM-AWEZNQCLSA-N 2 2 291.355 -0.707 20 0 CBADLP NC(=O)C[N@H+]1CC[C@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001041855687 801424223 /nfs/dbraw/zinc/42/42/23/801424223.db2.gz MYVCBTAPHIVYLM-AWEZNQCLSA-N 2 2 291.355 -0.707 20 0 CBADLP CN(C(=O)[C@H]1CCC[N@@H+]1C)C1C[NH+](CCCO)C1 ZINC001042538759 801486408 /nfs/dbraw/zinc/48/64/08/801486408.db2.gz RSGWYVNEKWVMPV-GFCCVEGCSA-N 2 2 255.362 -0.394 20 0 CBADLP CN(C(=O)[C@H]1CCC[N@H+]1C)C1C[NH+](CCCO)C1 ZINC001042538759 801486414 /nfs/dbraw/zinc/48/64/14/801486414.db2.gz RSGWYVNEKWVMPV-GFCCVEGCSA-N 2 2 255.362 -0.394 20 0 CBADLP C[C@@H](O)C[NH+]1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001042545555 801489075 /nfs/dbraw/zinc/48/90/75/801489075.db2.gz FESZYOXZPWLYFQ-PWSUYJOCSA-N 2 2 255.362 -0.396 20 0 CBADLP C[C@@H](O)C[NH+]1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001042545555 801489077 /nfs/dbraw/zinc/48/90/77/801489077.db2.gz FESZYOXZPWLYFQ-PWSUYJOCSA-N 2 2 255.362 -0.396 20 0 CBADLP CN(C(=O)C12CCC[NH+](CCC1)C2)C1C[NH+](CCO)C1 ZINC001043057202 801538257 /nfs/dbraw/zinc/53/82/57/801538257.db2.gz HZWZPPZDMMRRKC-UHFFFAOYSA-N 2 2 281.400 -0.003 20 0 CBADLP C[C@@H](O)C[NH+]1CC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001043099874 801540737 /nfs/dbraw/zinc/54/07/37/801540737.db2.gz RBFOQPFIUBJYSR-DGCLKSJQSA-N 2 2 269.389 -0.006 20 0 CBADLP C[C@@H](O)C[NH+]1CC(N(C)C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001043099874 801540741 /nfs/dbraw/zinc/54/07/41/801540741.db2.gz RBFOQPFIUBJYSR-DGCLKSJQSA-N 2 2 269.389 -0.006 20 0 CBADLP COCC[NH+]1CC(N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC001043358699 801558067 /nfs/dbraw/zinc/55/80/67/801558067.db2.gz ZMEUPAISYQJJTR-UHFFFAOYSA-N 2 2 266.345 -0.019 20 0 CBADLP CN(C(=O)C1CC[NH+](C)CC1)C1C[NH+](CCO)C1 ZINC001043736032 801589351 /nfs/dbraw/zinc/58/93/51/801589351.db2.gz CUIKGISVQZUUFO-UHFFFAOYSA-N 2 2 255.362 -0.537 20 0 CBADLP COCC[NH+]1CC(N(C)C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001043882780 801599135 /nfs/dbraw/zinc/59/91/35/801599135.db2.gz SZAXCDJAMMRRMT-DGCLKSJQSA-N 2 2 269.389 -0.027 20 0 CBADLP COCC[NH+]1CC(N(C)C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001043882780 801599141 /nfs/dbraw/zinc/59/91/41/801599141.db2.gz SZAXCDJAMMRRMT-DGCLKSJQSA-N 2 2 269.389 -0.027 20 0 CBADLP C[C@@H]1CCC[N@@H+]1CC(=O)N(C)C1C[NH+](CCCO)C1 ZINC001043875877 801600112 /nfs/dbraw/zinc/60/01/12/801600112.db2.gz NPCVUCFDMVRZKU-GFCCVEGCSA-N 2 2 269.389 -0.004 20 0 CBADLP C[C@@H]1CCC[N@H+]1CC(=O)N(C)C1C[NH+](CCCO)C1 ZINC001043875877 801600119 /nfs/dbraw/zinc/60/01/19/801600119.db2.gz NPCVUCFDMVRZKU-GFCCVEGCSA-N 2 2 269.389 -0.004 20 0 CBADLP CN(C(=O)[C@H]1CC[N@H+](C)C1)C1C[NH+](CCn2cncn2)C1 ZINC001044289932 801637273 /nfs/dbraw/zinc/63/72/73/801637273.db2.gz HBAJLLBTHFJJKK-LBPRGKRZSA-N 2 2 292.387 -0.628 20 0 CBADLP CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1C[NH+](CCn2cncn2)C1 ZINC001044289932 801637278 /nfs/dbraw/zinc/63/72/78/801637278.db2.gz HBAJLLBTHFJJKK-LBPRGKRZSA-N 2 2 292.387 -0.628 20 0 CBADLP C[C@H]1C[C@@H]([NH2+]CCO)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001044753738 801667383 /nfs/dbraw/zinc/66/73/83/801667383.db2.gz FHEREYFOAJOGAA-QWRGUYRKSA-N 2 2 266.345 -0.086 20 0 CBADLP C[C@@H]1C[C@@H]([NH2+]CC(N)=O)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001044801411 801670140 /nfs/dbraw/zinc/67/01/40/801670140.db2.gz XHYFWBYNUFNLOE-ZJUUUORDSA-N 2 2 279.344 -0.593 20 0 CBADLP C[C@H]1C[C@@H]([NH2+]CC(N)=O)CCN1C(=O)Cn1cc[nH+]c1 ZINC001044878281 801674778 /nfs/dbraw/zinc/67/47/78/801674778.db2.gz LFQLXMPELBUCLN-QWRGUYRKSA-N 2 2 279.344 -0.663 20 0 CBADLP C[C@@H](O)C[NH+]1CCC(C)(NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001045398073 801696088 /nfs/dbraw/zinc/69/60/88/801696088.db2.gz TYUKWBZQNIBFJK-CHWSQXEVSA-N 2 2 299.415 -0.332 20 0 CBADLP C[C@@H](O)C[NH+]1CCC(C)(NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001045398073 801696092 /nfs/dbraw/zinc/69/60/92/801696092.db2.gz TYUKWBZQNIBFJK-CHWSQXEVSA-N 2 2 299.415 -0.332 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@]2(C)CC[NH+](CCCO)C2)C1 ZINC001046216368 801741485 /nfs/dbraw/zinc/74/14/85/801741485.db2.gz AZWAOIMEEKIRKN-TZMCWYRMSA-N 2 2 285.388 -0.720 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N[C@]2(C)CC[NH+](CCCO)C2)C1 ZINC001046216368 801741488 /nfs/dbraw/zinc/74/14/88/801741488.db2.gz AZWAOIMEEKIRKN-TZMCWYRMSA-N 2 2 285.388 -0.720 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)N[C@]2(C)CC[N@H+](CCCO)C2)C1 ZINC001046216368 801741493 /nfs/dbraw/zinc/74/14/93/801741493.db2.gz AZWAOIMEEKIRKN-TZMCWYRMSA-N 2 2 285.388 -0.720 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)N[C@]2(C)CC[N@@H+](CCCO)C2)C1 ZINC001046216368 801741496 /nfs/dbraw/zinc/74/14/96/801741496.db2.gz AZWAOIMEEKIRKN-TZMCWYRMSA-N 2 2 285.388 -0.720 20 0 CBADLP COCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001047429683 801869710 /nfs/dbraw/zinc/86/97/10/801869710.db2.gz ZLLLWADEOVVLFI-IHRRRGAJSA-N 2 2 299.415 -0.379 20 0 CBADLP COCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001047429683 801869713 /nfs/dbraw/zinc/86/97/13/801869713.db2.gz ZLLLWADEOVVLFI-IHRRRGAJSA-N 2 2 299.415 -0.379 20 0 CBADLP COCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001047429683 801869718 /nfs/dbraw/zinc/86/97/18/801869718.db2.gz ZLLLWADEOVVLFI-IHRRRGAJSA-N 2 2 299.415 -0.379 20 0 CBADLP COCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001047429683 801869724 /nfs/dbraw/zinc/86/97/24/801869724.db2.gz ZLLLWADEOVVLFI-IHRRRGAJSA-N 2 2 299.415 -0.379 20 0 CBADLP CN(C(=O)C1CC[NH+](C)CC1)[C@H]1C[N@H+](CCF)C[C@@H]1O ZINC001047511451 801889868 /nfs/dbraw/zinc/88/98/68/801889868.db2.gz FVULSNBDSUOFMP-STQMWFEESA-N 2 2 287.379 -0.199 20 0 CBADLP CN(C(=O)C1CC[NH+](C)CC1)[C@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001047511451 801889873 /nfs/dbraw/zinc/88/98/73/801889873.db2.gz FVULSNBDSUOFMP-STQMWFEESA-N 2 2 287.379 -0.199 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2C[N@H+](CCO)C[C@@H]2C1 ZINC001049083264 801998645 /nfs/dbraw/zinc/99/86/45/801998645.db2.gz WGZOYAVMGAWQPR-PHIMTYICSA-N 2 2 264.329 -0.665 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2C[N@@H+](CCO)C[C@@H]2C1 ZINC001049083264 801998649 /nfs/dbraw/zinc/99/86/49/801998649.db2.gz WGZOYAVMGAWQPR-PHIMTYICSA-N 2 2 264.329 -0.665 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1C[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C1 ZINC001049248136 802008136 /nfs/dbraw/zinc/00/81/36/802008136.db2.gz NVXWQRTYKGFTNH-SDDRHHMPSA-N 2 2 291.355 -0.853 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C1 ZINC001049248136 802008144 /nfs/dbraw/zinc/00/81/44/802008144.db2.gz NVXWQRTYKGFTNH-SDDRHHMPSA-N 2 2 291.355 -0.853 20 0 CBADLP NC(=O)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCCC1 ZINC001049896308 802043049 /nfs/dbraw/zinc/04/30/49/802043049.db2.gz MXGMLYLWJPNDDO-STQMWFEESA-N 2 2 294.399 -0.367 20 0 CBADLP NC(=O)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCCC1 ZINC001049896308 802043056 /nfs/dbraw/zinc/04/30/56/802043056.db2.gz MXGMLYLWJPNDDO-STQMWFEESA-N 2 2 294.399 -0.367 20 0 CBADLP CC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001051952175 802173874 /nfs/dbraw/zinc/17/38/74/802173874.db2.gz VLPGHIXEGUVUPW-NSHDSACASA-N 2 2 252.318 -0.280 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CCC[N@@H+](CCO)CC1 ZINC001052823775 802218251 /nfs/dbraw/zinc/21/82/51/802218251.db2.gz OHRURTBURMUSCT-LLVKDONJSA-N 2 2 266.345 -0.085 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CCC[N@H+](CCO)CC1 ZINC001052823775 802218260 /nfs/dbraw/zinc/21/82/60/802218260.db2.gz OHRURTBURMUSCT-LLVKDONJSA-N 2 2 266.345 -0.085 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001052970201 802226683 /nfs/dbraw/zinc/22/66/83/802226683.db2.gz GRDNRFBJMBUHAT-NWDGAFQWSA-N 2 2 293.371 -0.272 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001052970201 802226686 /nfs/dbraw/zinc/22/66/86/802226686.db2.gz GRDNRFBJMBUHAT-NWDGAFQWSA-N 2 2 293.371 -0.272 20 0 CBADLP CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)O2 ZINC001053585372 802269497 /nfs/dbraw/zinc/26/94/97/802269497.db2.gz FSEMSHDGVSWQAJ-QWHCGFSZSA-N 2 2 297.399 -0.314 20 0 CBADLP CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)O2 ZINC001053585372 802269502 /nfs/dbraw/zinc/26/95/02/802269502.db2.gz FSEMSHDGVSWQAJ-QWHCGFSZSA-N 2 2 297.399 -0.314 20 0 CBADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2COC3(C[NH+](CCO)C3)C2)C1 ZINC001053926146 802311527 /nfs/dbraw/zinc/31/15/27/802311527.db2.gz XAWGLVNXNVCGHK-OLZOCXBDSA-N 2 2 297.399 -0.720 20 0 CBADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2COC3(C[NH+](CCO)C3)C2)C1 ZINC001053926146 802311536 /nfs/dbraw/zinc/31/15/36/802311536.db2.gz XAWGLVNXNVCGHK-OLZOCXBDSA-N 2 2 297.399 -0.720 20 0 CBADLP O=C(C[NH+]1CCCC1)N[C@H]1COC2(C[NH+](CCCO)C2)C1 ZINC001054008463 802322307 /nfs/dbraw/zinc/32/23/07/802322307.db2.gz BACPMIQIVMIHFM-CYBMUJFWSA-N 2 2 297.399 -0.576 20 0 CBADLP C[C@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1[NH2+]CC(N)=O ZINC001054925021 802379211 /nfs/dbraw/zinc/37/92/11/802379211.db2.gz KHCJMKAUFAKERF-WDEREUQCSA-N 2 2 293.371 -0.726 20 0 CBADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1[NH2+]CC(N)=O ZINC001054952367 802379767 /nfs/dbraw/zinc/37/97/67/802379767.db2.gz SHLQCWMFLQTRBB-GHMZBOCLSA-N 2 2 279.344 -0.805 20 0 CBADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1[NH2+]CC(N)=O ZINC001054952368 802381004 /nfs/dbraw/zinc/38/10/04/802381004.db2.gz SHLQCWMFLQTRBB-MNOVXSKESA-N 2 2 279.344 -0.805 20 0 CBADLP C[C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1[NH2+]CCO ZINC001054951285 802381159 /nfs/dbraw/zinc/38/11/59/802381159.db2.gz LCGUSMNLOVBNAN-RYUDHWBXSA-N 2 2 266.345 -0.298 20 0 CBADLP C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+]CCO ZINC001133353779 814245830 /nfs/dbraw/zinc/24/58/30/814245830.db2.gz HIKVZPUUGIGHBD-QWHCGFSZSA-N 2 2 280.372 -0.050 20 0 CBADLP CC(C)[C@H](C(=O)NCC[NH2+]CCS(C)(=O)=O)[NH+](C)C ZINC001133415530 814249257 /nfs/dbraw/zinc/24/92/57/814249257.db2.gz BWNDHXXZLXSLFH-LLVKDONJSA-N 2 2 293.433 -0.677 20 0 CBADLP CC[C@@H](C(=O)NCC[NH2+]Cc1nnnn1C1CC1)[NH+](C)C ZINC001133982777 814333792 /nfs/dbraw/zinc/33/37/92/814333792.db2.gz MDPRXMPKLWLZDO-NSHDSACASA-N 2 2 295.391 -0.446 20 0 CBADLP CN(CC(=O)NCCOc1cc[nH+]cc1)C(N)=[NH2+] ZINC001144149034 814773834 /nfs/dbraw/zinc/77/38/34/814773834.db2.gz BLBPAJITRIJQBQ-UHFFFAOYSA-N 2 2 251.290 -0.598 20 0 CBADLP CCC[N@H+](C)CC(=O)NCC[NH2+]Cc1nc(C)no1 ZINC001148638071 814953665 /nfs/dbraw/zinc/95/36/65/814953665.db2.gz AORXNNCDYAXCGK-UHFFFAOYSA-N 2 2 269.349 -0.074 20 0 CBADLP CCC[N@@H+](C)CC(=O)NCC[NH2+]Cc1nc(C)no1 ZINC001148638071 814953672 /nfs/dbraw/zinc/95/36/72/814953672.db2.gz AORXNNCDYAXCGK-UHFFFAOYSA-N 2 2 269.349 -0.074 20 0 CBADLP C[C@H](C[NH2+]CCCO)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001321560154 803784851 /nfs/dbraw/zinc/78/48/51/803784851.db2.gz MWTSIZVLVKVOMM-NEPJUHHUSA-N 2 2 280.372 -0.078 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001149124554 814971405 /nfs/dbraw/zinc/97/14/05/814971405.db2.gz UPAKYRIJJMDIPU-SECBINFHSA-N 2 2 267.333 -0.899 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+]CC(=O)N(C)C1CC1 ZINC001149131161 814971578 /nfs/dbraw/zinc/97/15/78/814971578.db2.gz WRLSVVBIUDWUHZ-UHFFFAOYSA-N 2 2 293.371 -0.413 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+]CC(=O)NCC1CC1 ZINC001149131263 814971091 /nfs/dbraw/zinc/97/10/91/814971091.db2.gz XVCXBINYENJIKU-UHFFFAOYSA-N 2 2 293.371 -0.507 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CC[N@H+]1C[C@@H](C)O ZINC001323340058 804012184 /nfs/dbraw/zinc/01/21/84/804012184.db2.gz LAKCYKSMDHMLQB-KOLCDFICSA-N 2 2 266.345 -0.168 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CC[N@@H+]1C[C@@H](C)O ZINC001323340058 804012194 /nfs/dbraw/zinc/01/21/94/804012194.db2.gz LAKCYKSMDHMLQB-KOLCDFICSA-N 2 2 266.345 -0.168 20 0 CBADLP C[C@H](O)C[NH+]1CC(N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001323969491 804090730 /nfs/dbraw/zinc/09/07/30/804090730.db2.gz CFPDKWIFLUYECK-NSHDSACASA-N 2 2 269.389 -0.148 20 0 CBADLP COC[C@H](O)C[NH2+]CCNC(=O)CCc1c[nH+]cn1C ZINC001149557705 814998944 /nfs/dbraw/zinc/99/89/44/814998944.db2.gz ABQUFQSFTAXCPK-GFCCVEGCSA-N 2 2 284.360 -0.934 20 0 CBADLP CCN(C)C(=O)C[NH2+]CCNC(=O)CCc1c[nH+]cn1C ZINC001149553246 814999042 /nfs/dbraw/zinc/99/90/42/814999042.db2.gz HTERDEHBOUDDOX-UHFFFAOYSA-N 2 2 295.387 -0.463 20 0 CBADLP C[NH+]1CCN(C(=O)C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)CC1 ZINC001324905296 804208574 /nfs/dbraw/zinc/20/85/74/804208574.db2.gz CKYDVJHFXRLMPH-ZDUSSCGKSA-N 2 2 294.399 -0.543 20 0 CBADLP C[NH+]1CCN(C(=O)C(=O)N2CCC[N@H+]3CCC[C@H]3C2)CC1 ZINC001324905296 804208584 /nfs/dbraw/zinc/20/85/84/804208584.db2.gz CKYDVJHFXRLMPH-ZDUSSCGKSA-N 2 2 294.399 -0.543 20 0 CBADLP C[C@H](O)C[NH2+]CCNC(=O)CCc1c[nH+]cn1C ZINC001149571011 815001370 /nfs/dbraw/zinc/00/13/70/815001370.db2.gz KYXPXTTYISXNDP-JTQLQIEISA-N 2 2 254.334 -0.561 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)NCC[NH2+][C@H]1CCN(C)C1=O ZINC001149570990 815001504 /nfs/dbraw/zinc/00/15/04/815001504.db2.gz KEDWGOPPJQAHSP-LBPRGKRZSA-N 2 2 293.371 -0.711 20 0 CBADLP CC[NH+]1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001325213180 804260771 /nfs/dbraw/zinc/26/07/71/804260771.db2.gz HIPMTULJGMYPHL-GHMZBOCLSA-N 2 2 255.362 -0.491 20 0 CBADLP CC[NH+]1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001325213180 804260779 /nfs/dbraw/zinc/26/07/79/804260779.db2.gz HIPMTULJGMYPHL-GHMZBOCLSA-N 2 2 255.362 -0.491 20 0 CBADLP NC(=O)NC(=O)CC[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC001325880767 804331352 /nfs/dbraw/zinc/33/13/52/804331352.db2.gz UNIPSEHULYTQSN-QMMMGPOBSA-N 2 2 251.290 -0.628 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H]1C[N@H+](CCCO)CCCO1 ZINC001150379784 815026957 /nfs/dbraw/zinc/02/69/57/815026957.db2.gz KDKJMZDNRGNAEY-ZDUSSCGKSA-N 2 2 296.371 -0.458 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H]1C[N@@H+](CCCO)CCCO1 ZINC001150379784 815026965 /nfs/dbraw/zinc/02/69/65/815026965.db2.gz KDKJMZDNRGNAEY-ZDUSSCGKSA-N 2 2 296.371 -0.458 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H]1C[N@H+](CCO)CCCO1 ZINC001150507826 815033830 /nfs/dbraw/zinc/03/38/30/815033830.db2.gz KVUUNVPSTWNPKQ-NSHDSACASA-N 2 2 282.344 -0.848 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H]1C[N@@H+](CCO)CCCO1 ZINC001150507826 815033837 /nfs/dbraw/zinc/03/38/37/815033837.db2.gz KVUUNVPSTWNPKQ-NSHDSACASA-N 2 2 282.344 -0.848 20 0 CBADLP CCc1nnc(C[NH2+]CCNC(=O)[C@H]2CC[N@H+](C)C2)o1 ZINC001151048367 815051473 /nfs/dbraw/zinc/05/14/73/815051473.db2.gz ANRHICMIBABDSP-JTQLQIEISA-N 2 2 281.360 -0.211 20 0 CBADLP CCc1nnc(C[NH2+]CCNC(=O)[C@H]2CC[N@@H+](C)C2)o1 ZINC001151048367 815051479 /nfs/dbraw/zinc/05/14/79/815051479.db2.gz ANRHICMIBABDSP-JTQLQIEISA-N 2 2 281.360 -0.211 20 0 CBADLP CCc1nnc(C[NH2+]CCNC(=O)[C@@H]2CC[N@H+](C)C2)o1 ZINC001151048369 815051996 /nfs/dbraw/zinc/05/19/96/815051996.db2.gz ANRHICMIBABDSP-SNVBAGLBSA-N 2 2 281.360 -0.211 20 0 CBADLP CCc1nnc(C[NH2+]CCNC(=O)[C@@H]2CC[N@@H+](C)C2)o1 ZINC001151048369 815052002 /nfs/dbraw/zinc/05/20/02/815052002.db2.gz ANRHICMIBABDSP-SNVBAGLBSA-N 2 2 281.360 -0.211 20 0 CBADLP Cc1noc(C[NH2+]CCNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001151044789 815052747 /nfs/dbraw/zinc/05/27/47/815052747.db2.gz YXJWIPSZJOGJRB-SNVBAGLBSA-N 2 2 267.333 -0.464 20 0 CBADLP Cc1noc(C[NH2+]CCNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001151044789 815052756 /nfs/dbraw/zinc/05/27/56/815052756.db2.gz YXJWIPSZJOGJRB-SNVBAGLBSA-N 2 2 267.333 -0.464 20 0 CBADLP CN(C)c1noc(C[NH2+]CCNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001151049430 815053799 /nfs/dbraw/zinc/05/37/99/815053799.db2.gz OMXRKLWUCGQQKH-JTQLQIEISA-N 2 2 296.375 -0.707 20 0 CBADLP CN(C)c1noc(C[NH2+]CCNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001151049430 815053810 /nfs/dbraw/zinc/05/38/10/815053810.db2.gz OMXRKLWUCGQQKH-JTQLQIEISA-N 2 2 296.375 -0.707 20 0 CBADLP CN(C)c1noc(C[NH2+]CCNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001151049431 815055105 /nfs/dbraw/zinc/05/51/05/815055105.db2.gz OMXRKLWUCGQQKH-SNVBAGLBSA-N 2 2 296.375 -0.707 20 0 CBADLP CN(C)c1noc(C[NH2+]CCNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001151049431 815055111 /nfs/dbraw/zinc/05/51/11/815055111.db2.gz OMXRKLWUCGQQKH-SNVBAGLBSA-N 2 2 296.375 -0.707 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NCC[NH2+]Cc1ncccn1 ZINC001151147407 815063153 /nfs/dbraw/zinc/06/31/53/815063153.db2.gz MIFAWBKYFCNWEP-UHFFFAOYSA-N 2 2 274.328 -0.112 20 0 CBADLP C[C@@H]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C[N@@H+]1CCO ZINC001071994871 805279178 /nfs/dbraw/zinc/27/91/78/805279178.db2.gz HRXUVAPKUPOLJK-VXGBXAGGSA-N 2 2 280.372 -0.076 20 0 CBADLP C[C@@H]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C[N@H+]1CCO ZINC001071994871 805279186 /nfs/dbraw/zinc/27/91/86/805279186.db2.gz HRXUVAPKUPOLJK-VXGBXAGGSA-N 2 2 280.372 -0.076 20 0 CBADLP CNC(=O)C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)CC[C@@H]1C ZINC001072080862 805284695 /nfs/dbraw/zinc/28/46/95/805284695.db2.gz CRVOCCAKEWRDNR-STQMWFEESA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)CC[C@@H]1C ZINC001072080862 805284699 /nfs/dbraw/zinc/28/46/99/805284699.db2.gz CRVOCCAKEWRDNR-STQMWFEESA-N 2 2 296.415 -0.203 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N2CC3(C2)CC[NH+](CCF)C3)C1 ZINC001072577711 805314669 /nfs/dbraw/zinc/31/46/69/805314669.db2.gz AWHRVULBGLVWBY-LBPRGKRZSA-N 2 2 285.363 -0.179 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N2CC3(C2)CC[NH+](CCF)C3)C1 ZINC001072577711 805314679 /nfs/dbraw/zinc/31/46/79/805314679.db2.gz AWHRVULBGLVWBY-LBPRGKRZSA-N 2 2 285.363 -0.179 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N2CC3(C2)CC[N@H+](CCF)C3)C1 ZINC001072577711 805314689 /nfs/dbraw/zinc/31/46/89/805314689.db2.gz AWHRVULBGLVWBY-LBPRGKRZSA-N 2 2 285.363 -0.179 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N2CC3(C2)CC[N@@H+](CCF)C3)C1 ZINC001072577711 805314697 /nfs/dbraw/zinc/31/46/97/805314697.db2.gz AWHRVULBGLVWBY-LBPRGKRZSA-N 2 2 285.363 -0.179 20 0 CBADLP O=C(CCc1[nH]cc[nH+]1)N1CC2(C1)CC[N@@H+](CCO)C2 ZINC001072673915 805326194 /nfs/dbraw/zinc/32/61/94/805326194.db2.gz WLWNANVEEHIYSF-UHFFFAOYSA-N 2 2 278.356 -0.131 20 0 CBADLP O=C(CCc1[nH]cc[nH+]1)N1CC2(C1)CC[N@H+](CCO)C2 ZINC001072673915 805326203 /nfs/dbraw/zinc/32/62/03/805326203.db2.gz WLWNANVEEHIYSF-UHFFFAOYSA-N 2 2 278.356 -0.131 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N1CC2(C1)CC[N@@H+](CCCO)C2 ZINC001073080165 805359529 /nfs/dbraw/zinc/35/95/29/805359529.db2.gz BDEBWDQLHBDOBW-UHFFFAOYSA-N 2 2 278.356 -0.131 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N1CC2(C1)CC[N@H+](CCCO)C2 ZINC001073080165 805359538 /nfs/dbraw/zinc/35/95/38/805359538.db2.gz BDEBWDQLHBDOBW-UHFFFAOYSA-N 2 2 278.356 -0.131 20 0 CBADLP C[C@@H](O)C[N@@H+]1CCC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001073483745 805370279 /nfs/dbraw/zinc/37/02/79/805370279.db2.gz IOQWWSAFFBIQNI-GFCCVEGCSA-N 2 2 278.356 -0.202 20 0 CBADLP C[C@@H](O)C[N@H+]1CCC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001073483745 805370287 /nfs/dbraw/zinc/37/02/87/805370287.db2.gz IOQWWSAFFBIQNI-GFCCVEGCSA-N 2 2 278.356 -0.202 20 0 CBADLP C[C@@H](O)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H]1C ZINC001074918325 805477277 /nfs/dbraw/zinc/47/72/77/805477277.db2.gz DYDFTQOYMOXDAZ-SCVCMEIPSA-N 2 2 266.345 -0.088 20 0 CBADLP C[C@H]1[C@@H]([NH2+][C@@H]2CCNC2=O)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001074996338 805480180 /nfs/dbraw/zinc/48/01/80/805480180.db2.gz BVBSCBOHTRTKED-GARJFASQSA-N 2 2 291.355 -0.580 20 0 CBADLP CC[C@@H]([NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@H]1C)C(N)=O ZINC001074998481 805480209 /nfs/dbraw/zinc/48/02/09/805480209.db2.gz KECINTOLJMERRB-AXFHLTTASA-N 2 2 293.371 -0.205 20 0 CBADLP CC[C@H]([NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@H]1C)C(N)=O ZINC001074998482 805480313 /nfs/dbraw/zinc/48/03/13/805480313.db2.gz KECINTOLJMERRB-DCAQKATOSA-N 2 2 293.371 -0.205 20 0 CBADLP CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001075643890 805520579 /nfs/dbraw/zinc/52/05/79/805520579.db2.gz ONSPISBGNYEKFM-XQQFMLRXSA-N 2 2 267.373 -0.130 20 0 CBADLP CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001075643890 805520582 /nfs/dbraw/zinc/52/05/82/805520582.db2.gz ONSPISBGNYEKFM-XQQFMLRXSA-N 2 2 267.373 -0.130 20 0 CBADLP CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001075643890 805520586 /nfs/dbraw/zinc/52/05/86/805520586.db2.gz ONSPISBGNYEKFM-XQQFMLRXSA-N 2 2 267.373 -0.130 20 0 CBADLP CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC001075643890 805520589 /nfs/dbraw/zinc/52/05/89/805520589.db2.gz ONSPISBGNYEKFM-XQQFMLRXSA-N 2 2 267.373 -0.130 20 0 CBADLP COCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001075644174 805520632 /nfs/dbraw/zinc/52/06/32/805520632.db2.gz ZBFVLPDBMYCWNK-BFHYXJOUSA-N 2 2 297.399 -0.504 20 0 CBADLP COCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001075644174 805520635 /nfs/dbraw/zinc/52/06/35/805520635.db2.gz ZBFVLPDBMYCWNK-BFHYXJOUSA-N 2 2 297.399 -0.504 20 0 CBADLP COCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001075644174 805520636 /nfs/dbraw/zinc/52/06/36/805520636.db2.gz ZBFVLPDBMYCWNK-BFHYXJOUSA-N 2 2 297.399 -0.504 20 0 CBADLP COCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC001075644174 805520640 /nfs/dbraw/zinc/52/06/40/805520640.db2.gz ZBFVLPDBMYCWNK-BFHYXJOUSA-N 2 2 297.399 -0.504 20 0 CBADLP C[N@H+](CC(=O)N1CC[C@H]2C[NH+](CC(N)=O)C[C@H]21)C1CCC1 ZINC001075887461 805539474 /nfs/dbraw/zinc/53/94/74/805539474.db2.gz ODKROEGUHALFAD-WCQYABFASA-N 2 2 294.399 -0.511 20 0 CBADLP C[N@@H+](CC(=O)N1CC[C@H]2C[NH+](CC(N)=O)C[C@H]21)C1CCC1 ZINC001075887461 805539481 /nfs/dbraw/zinc/53/94/81/805539481.db2.gz ODKROEGUHALFAD-WCQYABFASA-N 2 2 294.399 -0.511 20 0 CBADLP C[NH+](CC(=O)N1CC[C@H]2C[N@H+](CC(N)=O)C[C@H]21)C1CCC1 ZINC001075887461 805539487 /nfs/dbraw/zinc/53/94/87/805539487.db2.gz ODKROEGUHALFAD-WCQYABFASA-N 2 2 294.399 -0.511 20 0 CBADLP C[NH+](CC(=O)N1CC[C@H]2C[N@@H+](CC(N)=O)C[C@H]21)C1CCC1 ZINC001075887461 805539489 /nfs/dbraw/zinc/53/94/89/805539489.db2.gz ODKROEGUHALFAD-WCQYABFASA-N 2 2 294.399 -0.511 20 0 CBADLP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]2C[NH+](CC(N)=O)C[C@H]21 ZINC001076241313 805562560 /nfs/dbraw/zinc/56/25/60/805562560.db2.gz LAUQZYNPXMCQQM-FRRDWIJNSA-N 2 2 294.399 -0.511 20 0 CBADLP C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H]2C[NH+](CC(N)=O)C[C@H]21 ZINC001076241313 805562567 /nfs/dbraw/zinc/56/25/67/805562567.db2.gz LAUQZYNPXMCQQM-FRRDWIJNSA-N 2 2 294.399 -0.511 20 0 CBADLP C[C@@H]1CCC[NH+]1CC(=O)N1CC[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001076241313 805562573 /nfs/dbraw/zinc/56/25/73/805562573.db2.gz LAUQZYNPXMCQQM-FRRDWIJNSA-N 2 2 294.399 -0.511 20 0 CBADLP C[C@@H]1CCC[NH+]1CC(=O)N1CC[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001076241313 805562579 /nfs/dbraw/zinc/56/25/79/805562579.db2.gz LAUQZYNPXMCQQM-FRRDWIJNSA-N 2 2 294.399 -0.511 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2cc(C)no2)C1 ZINC001151748755 815090263 /nfs/dbraw/zinc/09/02/63/815090263.db2.gz KFHYAXZOZYEEKR-CYBMUJFWSA-N 2 2 296.371 -0.090 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2cc(C)no2)C1 ZINC001151748755 815090269 /nfs/dbraw/zinc/09/02/69/815090269.db2.gz KFHYAXZOZYEEKR-CYBMUJFWSA-N 2 2 296.371 -0.090 20 0 CBADLP CO[C@H](C)C[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+]1CCOCC1 ZINC001151815171 815095002 /nfs/dbraw/zinc/09/50/02/815095002.db2.gz QBDOWXYSJUQKNS-TZMCWYRMSA-N 2 2 299.415 -0.162 20 0 CBADLP C[C@H](O)C[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+]1CCOCC1 ZINC001151814517 815095847 /nfs/dbraw/zinc/09/58/47/815095847.db2.gz HQLQEUOCZMDBBY-WCQYABFASA-N 2 2 285.388 -0.816 20 0 CBADLP C[C@@H](O)C[NH2+]CCNC(=O)[C@@H](c1cccnc1)[NH+](C)C ZINC001152618149 815132083 /nfs/dbraw/zinc/13/20/83/815132083.db2.gz JFBWMMNHIUGBSP-DGCLKSJQSA-N 2 2 280.372 -0.229 20 0 CBADLP C[NH+](C)[C@@H](C(=O)NCC[NH2+]CCO)c1cccnc1 ZINC001152618829 815131711 /nfs/dbraw/zinc/13/17/11/815131711.db2.gz SIJFPPLPDCDOCJ-GFCCVEGCSA-N 2 2 266.345 -0.618 20 0 CBADLP C[C@H](O)C[NH2+]CCNC(=O)CCCn1cc[nH+]c1 ZINC001153344672 815159799 /nfs/dbraw/zinc/15/97/99/815159799.db2.gz GEBFBOBZVRSEGR-NSHDSACASA-N 2 2 254.334 -0.250 20 0 CBADLP CC(C)(C)NC(=O)C[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153487523 815163248 /nfs/dbraw/zinc/16/32/48/815163248.db2.gz BSASUQSDLVTXTA-UHFFFAOYSA-N 2 2 281.360 -0.496 20 0 CBADLP CCCC[C@@H]([NH2+]CCNC(=O)Cn1cc[nH+]c1)C(N)=O ZINC001153500807 815164007 /nfs/dbraw/zinc/16/40/07/815164007.db2.gz VBVDUDFOILIQMJ-LLVKDONJSA-N 2 2 281.360 -0.367 20 0 CBADLP CC(C)CNC(=O)C[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153495425 815164076 /nfs/dbraw/zinc/16/40/76/815164076.db2.gz JDMIMYAHMYSFEW-UHFFFAOYSA-N 2 2 281.360 -0.639 20 0 CBADLP CC(C)(C)CNC(=O)C[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153496300 815164112 /nfs/dbraw/zinc/16/41/12/815164112.db2.gz YZEKPALSLOQZIG-UHFFFAOYSA-N 2 2 295.387 -0.249 20 0 CBADLP CCn1nncc1C[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153488006 815164186 /nfs/dbraw/zinc/16/41/86/815164186.db2.gz ZMDQKSLLLWSPOX-UHFFFAOYSA-N 2 2 277.332 -0.600 20 0 CBADLP CC[C@H](C)NC(=O)[C@H](C)[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153500877 815164829 /nfs/dbraw/zinc/16/48/29/815164829.db2.gz XZDDRUWVZMUMDG-RYUDHWBXSA-N 2 2 295.387 -0.108 20 0 CBADLP CC[N@H+](CCO)[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001155469842 815285596 /nfs/dbraw/zinc/28/55/96/815285596.db2.gz IUFDAUSTOVOXPX-SNVBAGLBSA-N 2 2 254.334 -0.229 20 0 CBADLP CC[N@@H+](CCO)[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001155469842 815285602 /nfs/dbraw/zinc/28/56/02/815285602.db2.gz IUFDAUSTOVOXPX-SNVBAGLBSA-N 2 2 254.334 -0.229 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]Cc2cnsn2)C1 ZINC001156144172 815340757 /nfs/dbraw/zinc/34/07/57/815340757.db2.gz ATUFDTDUOQPPMA-NSHDSACASA-N 2 2 299.400 -0.535 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]Cc2cnsn2)C1 ZINC001156144172 815340764 /nfs/dbraw/zinc/34/07/64/815340764.db2.gz ATUFDTDUOQPPMA-NSHDSACASA-N 2 2 299.400 -0.535 20 0 CBADLP NC(=O)[C@H]1CCCN1c1cc(N2CC[C@@H]([NH3+])C2)nc[nH+]1 ZINC001156232735 815348295 /nfs/dbraw/zinc/34/82/95/815348295.db2.gz ISPKLYQRFUUGRW-NXEZZACHSA-N 2 2 276.344 -0.532 20 0 CBADLP O=C(NC[C@H]1C[C@H]([NH2+]CCO)C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001086408578 810268320 /nfs/dbraw/zinc/26/83/20/810268320.db2.gz UEGJHVSUZOTFDW-JHJVBQTASA-N 2 2 292.383 -0.078 20 0 CBADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC[N@@H+]1CC(=O)NC ZINC001087519282 810295797 /nfs/dbraw/zinc/29/57/97/810295797.db2.gz IDOAXBGQKCTYPI-YNEHKIRRSA-N 2 2 296.415 -0.204 20 0 CBADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC[N@H+]1CC(=O)NC ZINC001087519282 810295803 /nfs/dbraw/zinc/29/58/03/810295803.db2.gz IDOAXBGQKCTYPI-YNEHKIRRSA-N 2 2 296.415 -0.204 20 0 CBADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC[NH+]1CC(=O)NC ZINC001087519282 810295808 /nfs/dbraw/zinc/29/58/08/810295808.db2.gz IDOAXBGQKCTYPI-YNEHKIRRSA-N 2 2 296.415 -0.204 20 0 CBADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CC[NH+]1CC(=O)NC ZINC001087519282 810295811 /nfs/dbraw/zinc/29/58/11/810295811.db2.gz IDOAXBGQKCTYPI-YNEHKIRRSA-N 2 2 296.415 -0.204 20 0 CBADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC[N@@H+]1CC(N)=O ZINC001087625722 810300030 /nfs/dbraw/zinc/30/00/30/810300030.db2.gz RQQBAXODDQYVSB-XQQFMLRXSA-N 2 2 296.415 -0.075 20 0 CBADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC[N@H+]1CC(N)=O ZINC001087625722 810300033 /nfs/dbraw/zinc/30/00/33/810300033.db2.gz RQQBAXODDQYVSB-XQQFMLRXSA-N 2 2 296.415 -0.075 20 0 CBADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC[NH+]1CC(N)=O ZINC001087625722 810300037 /nfs/dbraw/zinc/30/00/37/810300037.db2.gz RQQBAXODDQYVSB-XQQFMLRXSA-N 2 2 296.415 -0.075 20 0 CBADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC[NH+]1CC(N)=O ZINC001087625722 810300042 /nfs/dbraw/zinc/30/00/42/810300042.db2.gz RQQBAXODDQYVSB-XQQFMLRXSA-N 2 2 296.415 -0.075 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@H]1C ZINC001088494097 810334313 /nfs/dbraw/zinc/33/43/13/810334313.db2.gz LGMROQCLYJCMMB-WOPDTQHZSA-N 2 2 282.388 -0.594 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@H]1C ZINC001088494097 810334320 /nfs/dbraw/zinc/33/43/20/810334320.db2.gz LGMROQCLYJCMMB-WOPDTQHZSA-N 2 2 282.388 -0.594 20 0 CBADLP CNC(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)[C@H]1C ZINC001088494097 810334326 /nfs/dbraw/zinc/33/43/26/810334326.db2.gz LGMROQCLYJCMMB-WOPDTQHZSA-N 2 2 282.388 -0.594 20 0 CBADLP CNC(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)[C@H]1C ZINC001088494097 810334334 /nfs/dbraw/zinc/33/43/34/810334334.db2.gz LGMROQCLYJCMMB-WOPDTQHZSA-N 2 2 282.388 -0.594 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[N@@H+]1CCO ZINC001088981900 810370969 /nfs/dbraw/zinc/37/09/69/810370969.db2.gz SCVDOSYYUIJNQE-PWSUYJOCSA-N 2 2 266.345 -0.466 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[N@H+]1CCO ZINC001088981900 810370978 /nfs/dbraw/zinc/37/09/78/810370978.db2.gz SCVDOSYYUIJNQE-PWSUYJOCSA-N 2 2 266.345 -0.466 20 0 CBADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC(N)=O)[C@@H]1C ZINC001089060763 810377095 /nfs/dbraw/zinc/37/70/95/810377095.db2.gz FPMXTQYTMDNYTP-FRRDWIJNSA-N 2 2 296.415 -0.075 20 0 CBADLP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC(N)=O)[C@@H]1C ZINC001089060763 810377097 /nfs/dbraw/zinc/37/70/97/810377097.db2.gz FPMXTQYTMDNYTP-FRRDWIJNSA-N 2 2 296.415 -0.075 20 0 CBADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC(N)=O)[C@@H]1C ZINC001089060763 810377101 /nfs/dbraw/zinc/37/71/01/810377101.db2.gz FPMXTQYTMDNYTP-FRRDWIJNSA-N 2 2 296.415 -0.075 20 0 CBADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)[C@@H]1C ZINC001089060763 810377102 /nfs/dbraw/zinc/37/71/02/810377102.db2.gz FPMXTQYTMDNYTP-FRRDWIJNSA-N 2 2 296.415 -0.075 20 0 CBADLP N=c1cc(C[NH3+])ncn1-c1ncnc2c1CC[NH2+]C2 ZINC001156619948 815370404 /nfs/dbraw/zinc/37/04/04/815370404.db2.gz JWCDZPMTTMBVGS-UHFFFAOYSA-N 2 2 257.301 -0.754 20 0 CBADLP C[NH2+][C@@H]1CCN1c1ncccc1C(=O)N1CC[NH2+]CC1 ZINC001156659009 815372822 /nfs/dbraw/zinc/37/28/22/815372822.db2.gz JRZKMEUMSPNIMU-LBPRGKRZSA-N 2 2 275.356 -0.117 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](CCF)C[C@@H]1O ZINC001090434140 810498114 /nfs/dbraw/zinc/49/81/14/810498114.db2.gz VQSLEWUDJCISGH-NEPJUHHUSA-N 2 2 284.335 -0.288 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](CCF)C[C@@H]1O ZINC001090434140 810498117 /nfs/dbraw/zinc/49/81/17/810498117.db2.gz VQSLEWUDJCISGH-NEPJUHHUSA-N 2 2 284.335 -0.288 20 0 CBADLP CC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001090679762 810548829 /nfs/dbraw/zinc/54/88/29/810548829.db2.gz QPDZRKFEOULTTD-NXEZZACHSA-N 2 2 252.318 -0.477 20 0 CBADLP CC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001090679762 810548834 /nfs/dbraw/zinc/54/88/34/810548834.db2.gz QPDZRKFEOULTTD-NXEZZACHSA-N 2 2 252.318 -0.477 20 0 CBADLP CC(C)[N@@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001090679745 810550239 /nfs/dbraw/zinc/55/02/39/810550239.db2.gz QIKIYPJTPHJSDA-WDEREUQCSA-N 2 2 266.345 -0.088 20 0 CBADLP CC(C)[N@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001090679745 810550244 /nfs/dbraw/zinc/55/02/44/810550244.db2.gz QIKIYPJTPHJSDA-WDEREUQCSA-N 2 2 266.345 -0.088 20 0 CBADLP CCC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001090728598 810560094 /nfs/dbraw/zinc/56/00/94/810560094.db2.gz VJVPPOIWJFYZGD-OLZOCXBDSA-N 2 2 280.372 -0.076 20 0 CBADLP CCC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001090728598 810560102 /nfs/dbraw/zinc/56/01/02/810560102.db2.gz VJVPPOIWJFYZGD-OLZOCXBDSA-N 2 2 280.372 -0.076 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](CCF)C[C@@H]1O ZINC001090810367 810568453 /nfs/dbraw/zinc/56/84/53/810568453.db2.gz XFZKNXMFKYYCQL-NEPJUHHUSA-N 2 2 284.335 -0.288 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](CCF)C[C@@H]1O ZINC001090810367 810568460 /nfs/dbraw/zinc/56/84/60/810568460.db2.gz XFZKNXMFKYYCQL-NEPJUHHUSA-N 2 2 284.335 -0.288 20 0 CBADLP NC(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001091078747 810588988 /nfs/dbraw/zinc/58/89/88/810588988.db2.gz KSCFUUKGGBVKKL-JPPWEJMLSA-N 2 2 291.355 -0.517 20 0 CBADLP NC(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001091078747 810588996 /nfs/dbraw/zinc/58/89/96/810588996.db2.gz KSCFUUKGGBVKKL-JPPWEJMLSA-N 2 2 291.355 -0.517 20 0 CBADLP N=c1cc(C[NH3+])ncn1C(=O)c1ccc2[nH+]c(N)[nH]c2c1 ZINC001156975842 815393761 /nfs/dbraw/zinc/39/37/61/815393761.db2.gz VMQNSLRYADGPFG-UHFFFAOYSA-N 2 2 283.295 -0.032 20 0 CBADLP N=c1ncc(C[NH3+])cn1C(=O)c1ccc2[nH+]c(N)[nH]c2c1 ZINC001156977599 815394090 /nfs/dbraw/zinc/39/40/90/815394090.db2.gz WXLRQGRJJAEBJK-UHFFFAOYSA-N 2 2 283.295 -0.032 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCO)C1 ZINC001095268255 810745018 /nfs/dbraw/zinc/74/50/18/810745018.db2.gz XNLHWTKHQLBUOZ-VOAKCMCISA-N 2 2 283.372 -0.969 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCO)C1 ZINC001095268255 810745020 /nfs/dbraw/zinc/74/50/20/810745020.db2.gz XNLHWTKHQLBUOZ-VOAKCMCISA-N 2 2 283.372 -0.969 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCO)C1 ZINC001095268255 810745023 /nfs/dbraw/zinc/74/50/23/810745023.db2.gz XNLHWTKHQLBUOZ-VOAKCMCISA-N 2 2 283.372 -0.969 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCO)C1 ZINC001095268255 810745027 /nfs/dbraw/zinc/74/50/27/810745027.db2.gz XNLHWTKHQLBUOZ-VOAKCMCISA-N 2 2 283.372 -0.969 20 0 CBADLP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(N)=O)C1 ZINC001096538236 810781460 /nfs/dbraw/zinc/78/14/60/810781460.db2.gz BRWUWULQRIMBAL-USZNOCQGSA-N 2 2 280.372 -0.855 20 0 CBADLP C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(N)=O)C1 ZINC001096538236 810781462 /nfs/dbraw/zinc/78/14/62/810781462.db2.gz BRWUWULQRIMBAL-USZNOCQGSA-N 2 2 280.372 -0.855 20 0 CBADLP C[NH+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(N)=O)C1 ZINC001096538236 810781466 /nfs/dbraw/zinc/78/14/66/810781466.db2.gz BRWUWULQRIMBAL-USZNOCQGSA-N 2 2 280.372 -0.855 20 0 CBADLP C[NH+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(N)=O)C1 ZINC001096538236 810781471 /nfs/dbraw/zinc/78/14/71/810781471.db2.gz BRWUWULQRIMBAL-USZNOCQGSA-N 2 2 280.372 -0.855 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@]12CCC[C@H]1C[NH+](CC(N)=O)C2 ZINC001098760817 810858747 /nfs/dbraw/zinc/85/87/47/810858747.db2.gz JSLUQEQCNXEJRY-ZOWXZIJZSA-N 2 2 294.399 -0.463 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@]12CCC[C@H]1C[NH+](CC(N)=O)C2 ZINC001098760817 810858754 /nfs/dbraw/zinc/85/87/54/810858754.db2.gz JSLUQEQCNXEJRY-ZOWXZIJZSA-N 2 2 294.399 -0.463 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)N[C@]12CCC[C@H]1C[N@H+](CC(N)=O)C2 ZINC001098760817 810858761 /nfs/dbraw/zinc/85/87/61/810858761.db2.gz JSLUQEQCNXEJRY-ZOWXZIJZSA-N 2 2 294.399 -0.463 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(N)=O)C2 ZINC001098760817 810858768 /nfs/dbraw/zinc/85/87/68/810858768.db2.gz JSLUQEQCNXEJRY-ZOWXZIJZSA-N 2 2 294.399 -0.463 20 0 CBADLP NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCCC2)C1 ZINC001099163620 810865862 /nfs/dbraw/zinc/86/58/62/810865862.db2.gz KNDAQFRFYIHYKV-WFASDCNBSA-N 2 2 294.399 -0.462 20 0 CBADLP NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCCC2)C1 ZINC001099163620 810865870 /nfs/dbraw/zinc/86/58/70/810865870.db2.gz KNDAQFRFYIHYKV-WFASDCNBSA-N 2 2 294.399 -0.462 20 0 CBADLP CCOC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1CC[C@@H]1[NH3+] ZINC001157083568 815404138 /nfs/dbraw/zinc/40/41/38/815404138.db2.gz VUTUPNSNDSFOGL-DCAQKATOSA-N 2 2 280.328 -0.263 20 0 CBADLP CCOC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1CC[C@@H]1[NH3+] ZINC001157083568 815404141 /nfs/dbraw/zinc/40/41/41/815404141.db2.gz VUTUPNSNDSFOGL-DCAQKATOSA-N 2 2 280.328 -0.263 20 0 CBADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1cc2n(n1)CCCO2 ZINC001157082068 815404214 /nfs/dbraw/zinc/40/42/14/815404214.db2.gz HCUMYYDWODLQQW-NSHDSACASA-N 2 2 290.327 -0.425 20 0 CBADLP CC[N@@H+]1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001099804223 810943482 /nfs/dbraw/zinc/94/34/82/810943482.db2.gz KBIIAOBVXJONRW-WDEREUQCSA-N 2 2 266.345 -0.086 20 0 CBADLP CC[N@H+]1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001099804223 810943485 /nfs/dbraw/zinc/94/34/85/810943485.db2.gz KBIIAOBVXJONRW-WDEREUQCSA-N 2 2 266.345 -0.086 20 0 CBADLP C[NH+](C)C1(C(=O)N[C@@H]2CC[N@H+](CCF)C[C@H]2O)CCC1 ZINC001099871891 810955986 /nfs/dbraw/zinc/95/59/86/810955986.db2.gz LPYYFVVNIDZUPS-VXGBXAGGSA-N 2 2 287.379 -0.008 20 0 CBADLP C[NH+](C)C1(C(=O)N[C@@H]2CC[N@@H+](CCF)C[C@H]2O)CCC1 ZINC001099871891 810955990 /nfs/dbraw/zinc/95/59/90/810955990.db2.gz LPYYFVVNIDZUPS-VXGBXAGGSA-N 2 2 287.379 -0.008 20 0 CBADLP C[NH+](C)C1(C(=O)N[C@@H]2CC[N@H+](CCF)C[C@@H]2O)CCC1 ZINC001099871888 810957169 /nfs/dbraw/zinc/95/71/69/810957169.db2.gz LPYYFVVNIDZUPS-NEPJUHHUSA-N 2 2 287.379 -0.008 20 0 CBADLP C[NH+](C)C1(C(=O)N[C@@H]2CC[N@@H+](CCF)C[C@@H]2O)CCC1 ZINC001099871888 810957173 /nfs/dbraw/zinc/95/71/73/810957173.db2.gz LPYYFVVNIDZUPS-NEPJUHHUSA-N 2 2 287.379 -0.008 20 0 CBADLP CC[N@@H+]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)[C@H](O)C1 ZINC001099926807 810970736 /nfs/dbraw/zinc/97/07/36/810970736.db2.gz RVOBHRXOKSDSSI-NWDGAFQWSA-N 2 2 280.372 -0.076 20 0 CBADLP CC[N@H+]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)[C@H](O)C1 ZINC001099926807 810970742 /nfs/dbraw/zinc/97/07/42/810970742.db2.gz RVOBHRXOKSDSSI-NWDGAFQWSA-N 2 2 280.372 -0.076 20 0 CBADLP COCCC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001100016864 810993611 /nfs/dbraw/zinc/99/36/11/810993611.db2.gz AMLLGYWBVTUCRA-OLZOCXBDSA-N 2 2 296.371 -0.460 20 0 CBADLP COCCC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001100016864 810993619 /nfs/dbraw/zinc/99/36/19/810993619.db2.gz AMLLGYWBVTUCRA-OLZOCXBDSA-N 2 2 296.371 -0.460 20 0 CBADLP CC[NH+](CC)CC(=O)N[C@@H]1CC[N@@H+](CCF)C[C@H]1O ZINC001100047915 811004398 /nfs/dbraw/zinc/00/43/98/811004398.db2.gz CGAIPLSCHCUJTO-VXGBXAGGSA-N 2 2 275.368 -0.151 20 0 CBADLP CC[NH+](CC)CC(=O)N[C@@H]1CC[N@H+](CCF)C[C@H]1O ZINC001100047915 811004389 /nfs/dbraw/zinc/00/43/89/811004389.db2.gz CGAIPLSCHCUJTO-VXGBXAGGSA-N 2 2 275.368 -0.151 20 0 CBADLP CCOCC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](O)C1 ZINC001100137251 811029142 /nfs/dbraw/zinc/02/91/42/811029142.db2.gz YGQPVOQORDPYRQ-CHWSQXEVSA-N 2 2 296.371 -0.529 20 0 CBADLP CCOCC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](O)C1 ZINC001100137251 811029151 /nfs/dbraw/zinc/02/91/51/811029151.db2.gz YGQPVOQORDPYRQ-CHWSQXEVSA-N 2 2 296.371 -0.529 20 0 CBADLP Cn1nncc1C[NH2+]CCCNC(=O)CCc1[nH]cc[nH+]1 ZINC001157257381 815415888 /nfs/dbraw/zinc/41/58/88/815415888.db2.gz QPQSWGGHPMLEQM-UHFFFAOYSA-N 2 2 291.359 -0.233 20 0 CBADLP NC(=O)C[NH2+]C1CC(CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001100293131 811046767 /nfs/dbraw/zinc/04/67/67/811046767.db2.gz GUHZMWIEQRKCDI-UHFFFAOYSA-N 2 2 279.344 -0.688 20 0 CBADLP CNC(=O)C[NH2+]C1CC(CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001100391642 811055539 /nfs/dbraw/zinc/05/55/39/811055539.db2.gz VDAMBRKQNCQEGE-UHFFFAOYSA-N 2 2 293.371 -0.427 20 0 CBADLP CNC(=O)C[NH2+]C1CC(CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001100391642 811055548 /nfs/dbraw/zinc/05/55/48/811055548.db2.gz VDAMBRKQNCQEGE-UHFFFAOYSA-N 2 2 293.371 -0.427 20 0 CBADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC1CC([NH2+]CC(N)=O)C1 ZINC001100747369 811076519 /nfs/dbraw/zinc/07/65/19/811076519.db2.gz ITQLGQSAKGIBGB-WHXUTIOJSA-N 2 2 293.371 -0.442 20 0 CBADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC1CC([NH2+]CC(N)=O)C1 ZINC001100747369 811076529 /nfs/dbraw/zinc/07/65/29/811076529.db2.gz ITQLGQSAKGIBGB-WHXUTIOJSA-N 2 2 293.371 -0.442 20 0 CBADLP CCNC(=O)C[NH2+]C1CC(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001100789153 811079929 /nfs/dbraw/zinc/07/99/29/811079929.db2.gz YLNFBWZKSUYCKX-UHFFFAOYSA-N 2 2 293.371 -0.427 20 0 CBADLP COC[C@H](O)C[NH2+]C1CC(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001100789536 811080153 /nfs/dbraw/zinc/08/01/53/811080153.db2.gz DHKILIMESYBSEN-HTAVTVPLSA-N 2 2 296.371 -0.556 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NCC1CC([NH2+]CCO)C1 ZINC001100791125 811080632 /nfs/dbraw/zinc/08/06/32/811080632.db2.gz GYDGMLOEAFONJW-UHFFFAOYSA-N 2 2 252.318 -0.571 20 0 CBADLP C[C@@H]([NH2+]C1CC(CNC(=O)Cc2c[nH+]cn2C)C1)C(N)=O ZINC001100871218 811083235 /nfs/dbraw/zinc/08/32/35/811083235.db2.gz HZIFUPVWBGIDEX-KPPDAEKUSA-N 2 2 293.371 -0.679 20 0 CBADLP NC(=O)C[NH2+]C1CC(CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001101061761 811092501 /nfs/dbraw/zinc/09/25/01/811092501.db2.gz NVGOPBNYDAVFOR-UHFFFAOYSA-N 2 2 293.371 -0.367 20 0 CBADLP CCOC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H](C)C[NH3+] ZINC001157304202 815421315 /nfs/dbraw/zinc/42/13/15/815421315.db2.gz VQRDPZSUSANMKK-WPRPVWTQSA-N 2 2 268.317 -0.405 20 0 CBADLP CCOC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H](C)C[NH3+] ZINC001157304202 815421318 /nfs/dbraw/zinc/42/13/18/815421318.db2.gz VQRDPZSUSANMKK-WPRPVWTQSA-N 2 2 268.317 -0.405 20 0 CBADLP CNC(=O)C[N@H+]1C[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001102480654 811157934 /nfs/dbraw/zinc/15/79/34/811157934.db2.gz BOTDIUKFPLQJIY-GHMZBOCLSA-N 2 2 293.371 -0.618 20 0 CBADLP CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001102480654 811157940 /nfs/dbraw/zinc/15/79/40/811157940.db2.gz BOTDIUKFPLQJIY-GHMZBOCLSA-N 2 2 293.371 -0.618 20 0 CBADLP C[C@H](NC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2)[C@@H]1CCCO1 ZINC001157423083 815431383 /nfs/dbraw/zinc/43/13/83/815431383.db2.gz JNNNUBNEMPFRJP-NOHGZBONSA-N 2 2 253.346 -0.378 20 0 CBADLP CC(=O)N[C@@H](CCCC[NH3+])C(=O)NCCc1[nH+]ccn1C ZINC001157422209 815431532 /nfs/dbraw/zinc/43/15/32/815431532.db2.gz JKMNKCZKBKUCFX-LBPRGKRZSA-N 2 2 295.387 -0.288 20 0 CBADLP C[C@H](NC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2)[C@@H]1CCCO1 ZINC001157423082 815431684 /nfs/dbraw/zinc/43/16/84/815431684.db2.gz JNNNUBNEMPFRJP-MRBYEJRBSA-N 2 2 253.346 -0.378 20 0 CBADLP Cn1cc[nH+]c1CCNC(=O)CN1CCCC[C@H]([NH3+])C1=O ZINC001157423549 815433026 /nfs/dbraw/zinc/43/30/26/815433026.db2.gz RQUXQXMXLMUZFX-NSHDSACASA-N 2 2 293.371 -0.581 20 0 CBADLP Cc1cc(N(C(N)=[NH2+])C(=O)[C@@H]([NH3+])CC(F)F)n[nH]1 ZINC001157440567 815433857 /nfs/dbraw/zinc/43/38/57/815433857.db2.gz YFFUZPVOFHAOTK-YFKPBYRVSA-N 2 2 260.248 -0.073 20 0 CBADLP Cc1nc(NC[C@@H](O)CNC(=O)[C@H]2CC[N@@H+](C)C2)cc[nH+]1 ZINC001105853223 811270950 /nfs/dbraw/zinc/27/09/50/811270950.db2.gz JEWGTFPSLXUBFY-NWDGAFQWSA-N 2 2 293.371 -0.374 20 0 CBADLP Cc1nc(NC[C@@H](O)CNC(=O)[C@H]2CC[N@H+](C)C2)cc[nH+]1 ZINC001105853223 811270956 /nfs/dbraw/zinc/27/09/56/811270956.db2.gz JEWGTFPSLXUBFY-NWDGAFQWSA-N 2 2 293.371 -0.374 20 0 CBADLP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C)C(N)=O ZINC001106705198 811314754 /nfs/dbraw/zinc/31/47/54/811314754.db2.gz WHBWDLNRXCGATB-GMTAPVOTSA-N 2 2 293.371 -0.490 20 0 CBADLP C[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001107078384 811323715 /nfs/dbraw/zinc/32/37/15/811323715.db2.gz FWEZNHVEQVSJHS-FRRDWIJNSA-N 2 2 280.372 -0.052 20 0 CBADLP COC(=O)N1CCN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)CC1 ZINC001157508758 815439887 /nfs/dbraw/zinc/43/98/87/815439887.db2.gz ZLMKAKMAIPPLHS-BREBYQMCSA-N 2 2 282.344 -0.881 20 0 CBADLP COC(=O)N1CCN(C(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)CC1 ZINC001157508573 815439916 /nfs/dbraw/zinc/43/99/16/815439916.db2.gz VQSSPWIUQXXGRA-SNVBAGLBSA-N 2 2 281.316 -0.810 20 0 CBADLP C[N@@H+]1CCN(C(=O)[C@@H](N)C[NH3+])[C@@H](c2ccccc2)C1 ZINC001157496244 815440223 /nfs/dbraw/zinc/44/02/23/815440223.db2.gz TUVQUJXFKQHXBS-QWHCGFSZSA-N 2 2 262.357 -0.212 20 0 CBADLP C[N@H+]1CCN(C(=O)[C@@H](N)C[NH3+])[C@@H](c2ccccc2)C1 ZINC001157496244 815440226 /nfs/dbraw/zinc/44/02/26/815440226.db2.gz TUVQUJXFKQHXBS-QWHCGFSZSA-N 2 2 262.357 -0.212 20 0 CBADLP COC(=O)N1CCN(C(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)CC1 ZINC001157506915 815440255 /nfs/dbraw/zinc/44/02/55/815440255.db2.gz AWQUHUNWAVZVIU-NSHDSACASA-N 2 2 295.343 -0.800 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](C(=O)N2C[C@@H](F)[C@@H]([NH3+])C2)CC[NH2+]1 ZINC001157536234 815441941 /nfs/dbraw/zinc/44/19/41/815441941.db2.gz JGVHNCLWSFZSJJ-JXUBOQSCSA-N 2 2 273.308 -0.965 20 0 CBADLP [NH3+][C@H]1CN(C(=O)[C@H]2C[NH2+]CC(F)(F)C2)C[C@H]1F ZINC001157535517 815442025 /nfs/dbraw/zinc/44/20/25/815442025.db2.gz AQEZVQGKFBJMIY-PRJMDXOYSA-N 2 2 251.252 -0.261 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@]1(C)C[NH+](CCO)CCO1 ZINC001107816683 811375387 /nfs/dbraw/zinc/37/53/87/811375387.db2.gz HMPGCPJCZCXGRK-OCCSQVGLSA-N 2 2 285.388 -0.720 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@]1(C)C[NH+](CCO)CCO1 ZINC001107816683 811375398 /nfs/dbraw/zinc/37/53/98/811375398.db2.gz HMPGCPJCZCXGRK-OCCSQVGLSA-N 2 2 285.388 -0.720 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@@]1(C)C[N@H+](CCO)CCO1 ZINC001107816683 811375405 /nfs/dbraw/zinc/37/54/05/811375405.db2.gz HMPGCPJCZCXGRK-OCCSQVGLSA-N 2 2 285.388 -0.720 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@@]1(C)C[N@@H+](CCO)CCO1 ZINC001107816683 811375416 /nfs/dbraw/zinc/37/54/16/811375416.db2.gz HMPGCPJCZCXGRK-OCCSQVGLSA-N 2 2 285.388 -0.720 20 0 CBADLP C[NH+](C)C1(C(=O)NC[C@@]2(C)C[N@H+](CCO)CCO2)CCC1 ZINC001107993360 811401630 /nfs/dbraw/zinc/40/16/30/811401630.db2.gz NZKUODZYCZJGFI-AWEZNQCLSA-N 2 2 299.415 -0.330 20 0 CBADLP C[NH+](C)C1(C(=O)NC[C@@]2(C)C[N@@H+](CCO)CCO2)CCC1 ZINC001107993360 811401636 /nfs/dbraw/zinc/40/16/36/811401636.db2.gz NZKUODZYCZJGFI-AWEZNQCLSA-N 2 2 299.415 -0.330 20 0 CBADLP C[N@H+](CC(=O)NC[C@]1(C)C[NH+](CCO)CCO1)C1CCC1 ZINC001107996689 811402516 /nfs/dbraw/zinc/40/25/16/811402516.db2.gz FYURBEUTVWWADJ-OAHLLOKOSA-N 2 2 299.415 -0.330 20 0 CBADLP C[N@@H+](CC(=O)NC[C@]1(C)C[NH+](CCO)CCO1)C1CCC1 ZINC001107996689 811402526 /nfs/dbraw/zinc/40/25/26/811402526.db2.gz FYURBEUTVWWADJ-OAHLLOKOSA-N 2 2 299.415 -0.330 20 0 CBADLP C[NH+](CC(=O)NC[C@]1(C)C[N@H+](CCO)CCO1)C1CCC1 ZINC001107996689 811402534 /nfs/dbraw/zinc/40/25/34/811402534.db2.gz FYURBEUTVWWADJ-OAHLLOKOSA-N 2 2 299.415 -0.330 20 0 CBADLP C[NH+](CC(=O)NC[C@]1(C)C[N@@H+](CCO)CCO1)C1CCC1 ZINC001107996689 811402537 /nfs/dbraw/zinc/40/25/37/811402537.db2.gz FYURBEUTVWWADJ-OAHLLOKOSA-N 2 2 299.415 -0.330 20 0 CBADLP C[NH+](C)[C@@H](C(=O)NC[C@]1(C)C[N@H+](CCO)CCO1)C1CC1 ZINC001107998868 811402593 /nfs/dbraw/zinc/40/25/93/811402593.db2.gz UETOZBJRHWHGEY-UKRRQHHQSA-N 2 2 299.415 -0.474 20 0 CBADLP C[NH+](C)[C@@H](C(=O)NC[C@]1(C)C[N@@H+](CCO)CCO1)C1CC1 ZINC001107998868 811402602 /nfs/dbraw/zinc/40/26/02/811402602.db2.gz UETOZBJRHWHGEY-UKRRQHHQSA-N 2 2 299.415 -0.474 20 0 CBADLP CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001108023393 811404632 /nfs/dbraw/zinc/40/46/32/811404632.db2.gz AVGIWMUPVGCGCW-UMVBOHGHSA-N 2 2 299.415 -0.068 20 0 CBADLP CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001108023393 811404637 /nfs/dbraw/zinc/40/46/37/811404637.db2.gz AVGIWMUPVGCGCW-UMVBOHGHSA-N 2 2 299.415 -0.068 20 0 CBADLP CC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001108023393 811404641 /nfs/dbraw/zinc/40/46/41/811404641.db2.gz AVGIWMUPVGCGCW-UMVBOHGHSA-N 2 2 299.415 -0.068 20 0 CBADLP CC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001108023393 811404646 /nfs/dbraw/zinc/40/46/46/811404646.db2.gz AVGIWMUPVGCGCW-UMVBOHGHSA-N 2 2 299.415 -0.068 20 0 CBADLP COCC[N@@H+]1CCO[C@@](C)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001108399426 811446477 /nfs/dbraw/zinc/44/64/77/811446477.db2.gz PBWVXKPTBBBEFJ-HNNXBMFYSA-N 2 2 299.415 -0.064 20 0 CBADLP COCC[N@H+]1CCO[C@@](C)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001108399426 811446483 /nfs/dbraw/zinc/44/64/83/811446483.db2.gz PBWVXKPTBBBEFJ-HNNXBMFYSA-N 2 2 299.415 -0.064 20 0 CBADLP C[C@@H](O)C[N@@H+]1CCO[C@](C)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001108399495 811446495 /nfs/dbraw/zinc/44/64/95/811446495.db2.gz QLARFOWAUKPDDB-UKRRQHHQSA-N 2 2 299.415 -0.330 20 0 CBADLP C[C@@H](O)C[N@H+]1CCO[C@](C)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001108399495 811446500 /nfs/dbraw/zinc/44/65/00/811446500.db2.gz QLARFOWAUKPDDB-UKRRQHHQSA-N 2 2 299.415 -0.330 20 0 CBADLP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(N)=O ZINC001110014629 811506695 /nfs/dbraw/zinc/50/66/95/811506695.db2.gz AJKPVOVLOQQXIS-AGIUHOORSA-N 2 2 296.415 -0.075 20 0 CBADLP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(N)=O ZINC001110014629 811506704 /nfs/dbraw/zinc/50/67/04/811506704.db2.gz AJKPVOVLOQQXIS-AGIUHOORSA-N 2 2 296.415 -0.075 20 0 CBADLP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001110014629 811506710 /nfs/dbraw/zinc/50/67/10/811506710.db2.gz AJKPVOVLOQQXIS-AGIUHOORSA-N 2 2 296.415 -0.075 20 0 CBADLP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001110014629 811506718 /nfs/dbraw/zinc/50/67/18/811506718.db2.gz AJKPVOVLOQQXIS-AGIUHOORSA-N 2 2 296.415 -0.075 20 0 CBADLP CN(Cc1ncccn1)C(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001157681419 815452854 /nfs/dbraw/zinc/45/28/54/815452854.db2.gz HACRTEYFAVYQFQ-ZWNOBZJWSA-N 2 2 261.329 -0.614 20 0 CBADLP COC1(C)CCN(C(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)CC1 ZINC001157689293 815453745 /nfs/dbraw/zinc/45/37/45/815453745.db2.gz UFQNAKGNTMSRAC-FZMZJTMJSA-N 2 2 267.373 -0.035 20 0 CBADLP C[C@H]1CN(C(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)CCCO1 ZINC001157703966 815453777 /nfs/dbraw/zinc/45/37/77/815453777.db2.gz UBMGZZXMTANPNR-ONGXEEELSA-N 2 2 252.318 -0.083 20 0 CBADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1Cc2cncnc2C1 ZINC001157707933 815454356 /nfs/dbraw/zinc/45/43/56/815454356.db2.gz BBYDUNXOWUDXAC-JTQLQIEISA-N 2 2 258.285 -0.388 20 0 CBADLP C[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)CCCO1 ZINC001157704263 815454440 /nfs/dbraw/zinc/45/44/40/815454440.db2.gz WIRXFYXUXZMZPE-WZRBSPASSA-N 2 2 253.346 -0.425 20 0 CBADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CCOCC(F)(F)C1 ZINC001157708745 815455827 /nfs/dbraw/zinc/45/58/27/815455827.db2.gz ZBQWYJWXWKOVDQ-LPEHRKFASA-N 2 2 275.299 -0.570 20 0 CBADLP COC(=O)[C@]1(F)CCN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)C1 ZINC001157715836 815455983 /nfs/dbraw/zinc/45/59/83/815455983.db2.gz JDUCPWGWNLDDSY-PNZRWIHMSA-N 2 2 285.319 -0.678 20 0 CBADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(N)=O ZINC001111308856 811544426 /nfs/dbraw/zinc/54/44/26/811544426.db2.gz AMKOORKUNMURAQ-UTUOFQBUSA-N 2 2 282.388 -0.465 20 0 CBADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(N)=O ZINC001111308856 811544434 /nfs/dbraw/zinc/54/44/34/811544434.db2.gz AMKOORKUNMURAQ-UTUOFQBUSA-N 2 2 282.388 -0.465 20 0 CBADLP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001111308856 811544441 /nfs/dbraw/zinc/54/44/41/811544441.db2.gz AMKOORKUNMURAQ-UTUOFQBUSA-N 2 2 282.388 -0.465 20 0 CBADLP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001111308856 811544451 /nfs/dbraw/zinc/54/44/51/811544451.db2.gz AMKOORKUNMURAQ-UTUOFQBUSA-N 2 2 282.388 -0.465 20 0 CBADLP [NH3+]C1(C(=O)N2C[C@H](F)C[C@H](CO)C2)CC[NH2+]CC1 ZINC001157728805 815456681 /nfs/dbraw/zinc/45/66/81/815456681.db2.gz BRCZKSSLIMUABG-VHSXEESVSA-N 2 2 259.325 -0.754 20 0 CBADLP CC[C@H](C(=O)N[C@]12CCC[C@H]1C[N@H+](CC(N)=O)C2)[NH+](C)C ZINC001111789602 811557921 /nfs/dbraw/zinc/55/79/21/811557921.db2.gz ZGYIIHMQNJGAOA-ZOWXZIJZSA-N 2 2 296.415 -0.217 20 0 CBADLP CC[C@H](C(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(N)=O)C2)[NH+](C)C ZINC001111789602 811557929 /nfs/dbraw/zinc/55/79/29/811557929.db2.gz ZGYIIHMQNJGAOA-ZOWXZIJZSA-N 2 2 296.415 -0.217 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCC[C@H](F)C(=O)C1 ZINC001157730064 815458465 /nfs/dbraw/zinc/45/84/65/815458465.db2.gz HOHMDEKDOBOEBT-QWRGUYRKSA-N 2 2 282.319 -0.181 20 0 CBADLP C[C@@H](O)CCC[NH+]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001112739897 811591296 /nfs/dbraw/zinc/59/12/96/811591296.db2.gz RLSDSVWTTWGFEV-ZIAGYGMSSA-N 2 2 299.415 -0.378 20 0 CBADLP C[C@@H](O)CCC[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001112739897 811591302 /nfs/dbraw/zinc/59/13/02/811591302.db2.gz RLSDSVWTTWGFEV-ZIAGYGMSSA-N 2 2 299.415 -0.378 20 0 CBADLP C[C@H](O)CCC[NH+]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001112739895 811592343 /nfs/dbraw/zinc/59/23/43/811592343.db2.gz RLSDSVWTTWGFEV-UONOGXRCSA-N 2 2 299.415 -0.378 20 0 CBADLP C[C@H](O)CCC[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001112739895 811592346 /nfs/dbraw/zinc/59/23/46/811592346.db2.gz RLSDSVWTTWGFEV-UONOGXRCSA-N 2 2 299.415 -0.378 20 0 CBADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CC(F)(F)CC[C@H]1CO ZINC001157730909 815459636 /nfs/dbraw/zinc/45/96/36/815459636.db2.gz UIKOFTNICFGCRM-XWLWVQCSSA-N 2 2 289.326 -0.445 20 0 CBADLP [NH3+]C[C@@]1(F)CCCN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)CC1 ZINC001157741010 815460625 /nfs/dbraw/zinc/46/06/25/815460625.db2.gz RWXGBOTZPNTSSJ-OXHZDVMGSA-N 3 2 284.379 -0.112 20 0 CBADLP COC[C@H](O)C[NH+]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001112964852 811613268 /nfs/dbraw/zinc/61/32/68/811613268.db2.gz AVINUYQHIQJZJA-ZIAGYGMSSA-N 2 2 299.415 -0.522 20 0 CBADLP COC[C@H](O)C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001113346207 811632808 /nfs/dbraw/zinc/63/28/08/811632808.db2.gz SBMMLRUPXFQJRZ-UONOGXRCSA-N 2 2 299.415 -0.520 20 0 CBADLP COC[C@H](O)C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001113346207 811632813 /nfs/dbraw/zinc/63/28/13/811632813.db2.gz SBMMLRUPXFQJRZ-UONOGXRCSA-N 2 2 299.415 -0.520 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC[NH+](CCOCCO)CC1 ZINC001113346422 811632928 /nfs/dbraw/zinc/63/29/28/811632928.db2.gz ZFKHESSKUQLOAA-KGLIPLIRSA-N 2 2 299.415 -0.663 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC[NH+](CCOCCO)CC1 ZINC001113346422 811632931 /nfs/dbraw/zinc/63/29/31/811632931.db2.gz ZFKHESSKUQLOAA-KGLIPLIRSA-N 2 2 299.415 -0.663 20 0 CBADLP C[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](CCOCCO)CC2)C1 ZINC001113346386 811633165 /nfs/dbraw/zinc/63/31/65/811633165.db2.gz YGRPGJPJTAHYGJ-CQSZACIVSA-N 2 2 299.415 -0.519 20 0 CBADLP C[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](CCOCCO)CC2)C1 ZINC001113346386 811633168 /nfs/dbraw/zinc/63/31/68/811633168.db2.gz YGRPGJPJTAHYGJ-CQSZACIVSA-N 2 2 299.415 -0.519 20 0 CBADLP COC(=O)[C@@H]1C[N@H+](C)CCN1c1ncc2c(n1)C[NH2+]C2 ZINC001157773431 815464740 /nfs/dbraw/zinc/46/47/40/815464740.db2.gz NWISEQAZNOFZHP-NSHDSACASA-N 2 2 277.328 -0.627 20 0 CBADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1c1ncc2c(n1)C[NH2+]C2 ZINC001157773431 815464742 /nfs/dbraw/zinc/46/47/42/815464742.db2.gz NWISEQAZNOFZHP-NSHDSACASA-N 2 2 277.328 -0.627 20 0 CBADLP O=C(N1CCC[C@](O)(CF)CC1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001157780055 815465770 /nfs/dbraw/zinc/46/57/70/815465770.db2.gz BJPKXOBNHPTWAN-MRVWCRGKSA-N 2 2 285.363 -0.349 20 0 CBADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@](O)(CF)CC1 ZINC001157781977 815465990 /nfs/dbraw/zinc/46/59/90/815465990.db2.gz WGAPATUULKWIIQ-AAEUAGOBSA-N 2 2 284.335 -0.007 20 0 CBADLP COC[C@@H](O)C[NH+]1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001113634477 811652181 /nfs/dbraw/zinc/65/21/81/811652181.db2.gz FRBJRGZJALTFDA-ZDUSSCGKSA-N 2 2 296.371 -0.657 20 0 CBADLP C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)C[C@@H]1[NH3+] ZINC001157798966 815468249 /nfs/dbraw/zinc/46/82/49/815468249.db2.gz IJFWZFWZPBOJRO-WTPMCQDGSA-N 3 2 252.362 -0.868 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N1CC[NH+](CCOCCO)CC1 ZINC001113686701 811655214 /nfs/dbraw/zinc/65/52/14/811655214.db2.gz RGRVCUZCZIZNDW-UHFFFAOYSA-N 2 2 287.404 -0.520 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N1CC[NH+](CCOCCO)CC1 ZINC001113686701 811655216 /nfs/dbraw/zinc/65/52/16/811655216.db2.gz RGRVCUZCZIZNDW-UHFFFAOYSA-N 2 2 287.404 -0.520 20 0 CBADLP C[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1[nH]cc[nH+]1 ZINC001114206311 811730827 /nfs/dbraw/zinc/73/08/27/811730827.db2.gz IWAJXQWRXXCFDC-KZWBYHQPSA-N 2 2 278.356 -0.231 20 0 CBADLP C[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1[nH]cc[nH+]1 ZINC001114206311 811730837 /nfs/dbraw/zinc/73/08/37/811730837.db2.gz IWAJXQWRXXCFDC-KZWBYHQPSA-N 2 2 278.356 -0.231 20 0 CBADLP C[C@H]1C[C@@H](CO)N(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)C1 ZINC001157853395 815472222 /nfs/dbraw/zinc/47/22/22/815472222.db2.gz BBPWRPSQAVUAAO-ONYIWYLUSA-N 2 2 253.346 -0.563 20 0 CBADLP C[C@H]1CC[C@H](CO)CN1C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001157854199 815472264 /nfs/dbraw/zinc/47/22/64/815472264.db2.gz AFYGWMOCSWJWGV-ROEYZRMQSA-N 2 2 267.373 -0.172 20 0 CBADLP C[C@@H]1CC[C@H](CO)CN1C(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001157854861 815473281 /nfs/dbraw/zinc/47/32/81/815473281.db2.gz JFMRNTWTLBYOEP-GFQSEFKGSA-N 2 2 267.373 -0.443 20 0 CBADLP C[C@@H]1CC[C@H](CO)CN1C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001157856548 815473352 /nfs/dbraw/zinc/47/33/52/815473352.db2.gz VNFUMRXHEFCOKM-SCVCMEIPSA-N 2 2 266.345 -0.101 20 0 CBADLP C[C@@H]1CC[C@H](CO)CN1C(=O)C1([NH3+])CC[NH2+]CC1 ZINC001157855314 815473420 /nfs/dbraw/zinc/47/34/20/815473420.db2.gz MJHRCCYSOYDQNV-MNOVXSKESA-N 2 2 255.362 -0.313 20 0 CBADLP C[C@H]1CC[C@H](CO)CN1C(=O)C1([NH3+])CC[NH2+]CC1 ZINC001157855315 815473566 /nfs/dbraw/zinc/47/35/66/815473566.db2.gz MJHRCCYSOYDQNV-QWRGUYRKSA-N 2 2 255.362 -0.313 20 0 CBADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)N2CCCNC(=O)C2)cc1 ZINC001157891389 815476492 /nfs/dbraw/zinc/47/64/92/815476492.db2.gz YJZIOPXHLBIVRZ-LBPRGKRZSA-N 2 2 276.340 -0.393 20 0 CBADLP C[C@]1(CO)CCCN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)CC1 ZINC001157900784 815478084 /nfs/dbraw/zinc/47/80/84/815478084.db2.gz REZDPIYARJHCAF-XPCVCDNBSA-N 2 2 281.400 -0.053 20 0 CBADLP C[NH+]1CCN(C(=[NH2+])Nc2cc(C3C[NH2+]C3)ncn2)CC1 ZINC001157920215 815482199 /nfs/dbraw/zinc/48/21/99/815482199.db2.gz KDWIYAOPNOQSOF-UHFFFAOYSA-N 3 2 275.360 -0.243 20 0 CBADLP O=C(C[NH2+]C1CC[NH2+]CC1)N1CCc2[nH]cnc2C1 ZINC001157922322 815483076 /nfs/dbraw/zinc/48/30/76/815483076.db2.gz LIMZTBVXCBZYND-UHFFFAOYSA-N 2 2 263.345 -0.364 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001157969109 815492683 /nfs/dbraw/zinc/49/26/83/815492683.db2.gz LTEGSSFEPHAMNQ-HZSPNIEDSA-N 3 2 274.368 -0.151 20 0 CBADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N2CC[NH2+]C[C@H]2c2ccccc2)C1 ZINC001157969110 815493465 /nfs/dbraw/zinc/49/34/65/815493465.db2.gz LTEGSSFEPHAMNQ-IHRRRGAJSA-N 3 2 274.368 -0.151 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CC[NH2+]C[C@H]2c2ccccc2)C1 ZINC001157969113 815493631 /nfs/dbraw/zinc/49/36/31/815493631.db2.gz LTEGSSFEPHAMNQ-RDBSUJKOSA-N 3 2 274.368 -0.151 20 0 CBADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)N2CC[C@H](O)[C@H](CO)C2)cc1 ZINC001157937588 815488700 /nfs/dbraw/zinc/48/87/00/815488700.db2.gz XIWLKQPMHFFLNI-IHRRRGAJSA-N 2 2 293.367 -0.540 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@H]1[NH2+]CCC[C@H]1C ZINC001157997601 815495602 /nfs/dbraw/zinc/49/56/02/815495602.db2.gz AIZWANOZTFEEGN-WOPDTQHZSA-N 2 2 283.372 -0.262 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])CC1CCC1 ZINC001157997657 815496136 /nfs/dbraw/zinc/49/61/36/815496136.db2.gz BRDJVKUORWADOY-RYUDHWBXSA-N 2 2 283.372 -0.133 20 0 CBADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CCc2n[nH]cc2C1 ZINC001157988909 815496159 /nfs/dbraw/zinc/49/61/59/815496159.db2.gz LDMWVANEIZSWFO-KPXOXKRLSA-N 2 2 261.329 -0.756 20 0 CBADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)C1([NH3+])CCCC1 ZINC001158000128 815496781 /nfs/dbraw/zinc/49/67/81/815496781.db2.gz VKCAILCXNGHGSP-SNVBAGLBSA-N 2 2 269.345 -0.379 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)C1([NH3+])CCCC1 ZINC001158000126 815497326 /nfs/dbraw/zinc/49/73/26/815497326.db2.gz VKCAILCXNGHGSP-JTQLQIEISA-N 2 2 269.345 -0.379 20 0 CBADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@@H]1COC(C)(C)[NH2+]1 ZINC001157998795 815497470 /nfs/dbraw/zinc/49/74/70/815497470.db2.gz HTMUDFRCAXVQKT-VHSXEESVSA-N 2 2 285.344 -0.926 20 0 CBADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)C[C@H]1CCCC[NH2+]1 ZINC001158006705 815497847 /nfs/dbraw/zinc/49/78/47/815497847.db2.gz NDUIFMCEKUUHHD-VXGBXAGGSA-N 2 2 283.372 -0.118 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@H]1CC[NH2+]C[C@H]1F ZINC001158006958 815497912 /nfs/dbraw/zinc/49/79/12/815497912.db2.gz OMNZRZOAILRVLP-AXFHLTTASA-N 2 2 287.335 -0.703 20 0 CBADLP COC(=O)[C@@H]1C[C@H](F)CN1C(=O)C1([NH3+])CC[NH2+]CC1 ZINC001158014041 815497980 /nfs/dbraw/zinc/49/79/80/815497980.db2.gz KHNIBTVLZABACK-IUCAKERBSA-N 2 2 273.308 -0.821 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@]1(C)CC[NH2+]C1 ZINC001158005672 815498014 /nfs/dbraw/zinc/49/80/14/815498014.db2.gz BCUKHUGUWRCNIX-GWCFXTLKSA-N 2 2 269.345 -0.651 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1[C@H]([NH3+])[C@H]2CC[C@@H]1C2 ZINC001158007203 815498112 /nfs/dbraw/zinc/49/81/12/815498112.db2.gz RFWRCXGCEHODLL-QNWJLWSRSA-N 2 2 295.383 -0.277 20 0 CBADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@@H]1C[C@H](C)CC[NH2+]1 ZINC001158006978 815498303 /nfs/dbraw/zinc/49/83/03/815498303.db2.gz OSUVKUZKIXHANG-GRYCIOLGSA-N 2 2 283.372 -0.262 20 0 CBADLP CC(C)(C)N(C[C@@H](O)CO)C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001158013633 815498365 /nfs/dbraw/zinc/49/83/65/815498365.db2.gz GTPQMOCKLXQWQJ-BIAAXOCRSA-N 2 2 285.388 -0.812 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)C=C1CC[NH2+]CC1 ZINC001158007466 815498585 /nfs/dbraw/zinc/49/85/85/815498585.db2.gz SMIMLUPCYAXVMS-LBPRGKRZSA-N 2 2 281.356 -0.340 20 0 CBADLP COC(=O)[C@@H]1C[C@H](F)CN1C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001158015482 815499657 /nfs/dbraw/zinc/49/96/57/815499657.db2.gz SBLUWVHPHDZVSL-HGNGGELXSA-N 2 2 284.291 -0.609 20 0 CBADLP [NH3+]C1CC2(C1)CCN(C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)CC2 ZINC001158083277 815503123 /nfs/dbraw/zinc/50/31/23/815503123.db2.gz ZYXWEOZCULHTHZ-KOLCDFICSA-N 3 2 252.362 -0.595 20 0 CBADLP COC[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1[nH]cc[nH+]1 ZINC001115013338 812173283 /nfs/dbraw/zinc/17/32/83/812173283.db2.gz KIEOEEVWCOWUNX-KZWBYHQPSA-N 2 2 294.355 -0.994 20 0 CBADLP COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1[nH]cc[nH+]1 ZINC001115013338 812173290 /nfs/dbraw/zinc/17/32/90/812173290.db2.gz KIEOEEVWCOWUNX-KZWBYHQPSA-N 2 2 294.355 -0.994 20 0 CBADLP NC(=O)c1ccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nc1 ZINC001158203968 815512935 /nfs/dbraw/zinc/51/29/35/815512935.db2.gz KYFJYMKFYNHQIT-SECBINFHSA-N 2 2 261.285 -0.772 20 0 CBADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001115342220 812192539 /nfs/dbraw/zinc/19/25/39/812192539.db2.gz SRXUNUHTEGPCCL-IMRBUKKESA-N 2 2 278.356 -0.298 20 0 CBADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001115342220 812192540 /nfs/dbraw/zinc/19/25/40/812192540.db2.gz SRXUNUHTEGPCCL-IMRBUKKESA-N 2 2 278.356 -0.298 20 0 CBADLP CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1 ZINC001115343265 812193271 /nfs/dbraw/zinc/19/32/71/812193271.db2.gz FHUKAFFHIZGPAY-IMRBUKKESA-N 2 2 278.356 -0.034 20 0 CBADLP CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1 ZINC001115343265 812193277 /nfs/dbraw/zinc/19/32/77/812193277.db2.gz FHUKAFFHIZGPAY-IMRBUKKESA-N 2 2 278.356 -0.034 20 0 CBADLP COc1ncnc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c1C ZINC001158204984 815513694 /nfs/dbraw/zinc/51/36/94/815513694.db2.gz ZOTZLKCQFBOYGQ-SECBINFHSA-N 2 2 263.301 -0.159 20 0 CBADLP NC(=O)c1cc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)ncc1Cl ZINC001158204347 815513893 /nfs/dbraw/zinc/51/38/93/815513893.db2.gz XQIWEMUNMQSMGN-SSDOTTSWSA-N 2 2 295.730 -0.118 20 0 CBADLP CCNC(=O)c1ccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nn1 ZINC001158209243 815514150 /nfs/dbraw/zinc/51/41/50/815514150.db2.gz MWTJDEVQXMHQOO-SECBINFHSA-N 2 2 290.327 -0.726 20 0 CBADLP O=C1NC(=O)C2(CC[NH+](CCCn3cc[nH+]c3)CC2)N1 ZINC001116474790 812266904 /nfs/dbraw/zinc/26/69/04/812266904.db2.gz KBNYFJAGWKAOCC-UHFFFAOYSA-N 2 2 277.328 -0.053 20 0 CBADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)N1CC2(C1)CCCO2 ZINC001158241329 815516176 /nfs/dbraw/zinc/51/61/76/815516176.db2.gz UQBYOBNAEGPNSS-LBPRGKRZSA-N 2 2 282.388 -0.872 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](Nc2cc3c(nn2)CC[NH2+]C3)C[NH2+]1 ZINC001158255434 815517107 /nfs/dbraw/zinc/51/71/07/815517107.db2.gz UPPGHDZKSRJEHM-KOLCDFICSA-N 2 2 277.328 -0.562 20 0 CBADLP [NH3+]Cc1cc(N2CCC([N@@H+]3CC[C@H]([NH3+])C3)CC2)ncn1 ZINC001158259290 815517708 /nfs/dbraw/zinc/51/77/08/815517708.db2.gz PYDSEZQTDJRHNM-NSHDSACASA-N 3 2 276.388 -0.063 20 0 CBADLP [NH3+]Cc1cc(N2CCC([N@H+]3CC[C@H]([NH3+])C3)CC2)ncn1 ZINC001158259290 815517711 /nfs/dbraw/zinc/51/77/11/815517711.db2.gz PYDSEZQTDJRHNM-NSHDSACASA-N 3 2 276.388 -0.063 20 0 CBADLP O=C(N1C[C@@H]2OCC(F)(F)[C@@H]2C1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001158319414 815519863 /nfs/dbraw/zinc/51/98/63/815519863.db2.gz GUFICNSCTQVGCO-MWGHHZFTSA-N 2 2 287.310 -0.570 20 0 CBADLP C[NH+]1CCC(NC(=O)C(=O)NCCn2cc[nH+]c2)CC1 ZINC001116973590 812351302 /nfs/dbraw/zinc/35/13/02/812351302.db2.gz GOEUGOYROIUKEH-UHFFFAOYSA-N 2 2 279.344 -0.790 20 0 CBADLP O=S1(=O)CCC[C@H](C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC001117094455 812365115 /nfs/dbraw/zinc/36/51/15/812365115.db2.gz VKQNXKIXSJTHJH-UTUOFQBUSA-N 2 2 258.387 -0.038 20 0 CBADLP O=S1(=O)CCC[C@H](C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC001117094455 812365120 /nfs/dbraw/zinc/36/51/20/812365120.db2.gz VKQNXKIXSJTHJH-UTUOFQBUSA-N 2 2 258.387 -0.038 20 0 CBADLP Cc1[nH]c2c([nH+]1)CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])CC2 ZINC001158347334 815521608 /nfs/dbraw/zinc/52/16/08/815521608.db2.gz ILDDZVNAASHSOP-JTQLQIEISA-N 3 2 297.428 -0.335 20 0 CBADLP Cc1[nH]c2c([nH+]1)CCN(C(=O)[C@@H]1C[NH2+]CCN1)CC2 ZINC001158347593 815521972 /nfs/dbraw/zinc/52/19/72/815521972.db2.gz MBMJFLYDXUNXAE-LBPRGKRZSA-N 2 2 263.345 -0.793 20 0 CBADLP N=C(NC(=O)Cc1cc[nH+]c(N)c1)SCC[NH3+] ZINC001181266435 820769352 /nfs/dbraw/zinc/76/93/52/820769352.db2.gz YZXNMRDUDWHYEV-UHFFFAOYSA-N 2 2 253.331 -0.051 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCC[C@H]2[NH2+]C[C@@H]21 ZINC001158414267 815526851 /nfs/dbraw/zinc/52/68/51/815526851.db2.gz FFIQJUOCQSIZSK-TUAOUCFPSA-N 3 2 263.345 -0.747 20 0 CBADLP COC(=O)C[C@H]([NH3+])C(=O)NCCCn1cc[nH+]c1 ZINC001118121347 812472580 /nfs/dbraw/zinc/47/25/80/812472580.db2.gz SNOYLBPPBZMCHA-VIFPVBQESA-N 2 2 254.290 -0.720 20 0 CBADLP C[NH+]1CCN(CCCCNC(=O)C[C@H]2COCC[NH2+]2)CC1 ZINC001118190696 812488596 /nfs/dbraw/zinc/48/85/96/812488596.db2.gz XEJJKKPOONVCRT-AWEZNQCLSA-N 2 2 298.431 -0.491 20 0 CBADLP NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C2([NH3+])CCCC2)C1 ZINC001118286482 812519502 /nfs/dbraw/zinc/51/95/02/812519502.db2.gz GBGZEMAZDYBDSC-SNVBAGLBSA-N 2 2 268.361 -0.676 20 0 CBADLP NC(=O)C[N@H+]1CCC[C@@H](NC(=O)C2([NH3+])CCCC2)C1 ZINC001118286482 812519507 /nfs/dbraw/zinc/51/95/07/812519507.db2.gz GBGZEMAZDYBDSC-SNVBAGLBSA-N 2 2 268.361 -0.676 20 0 CBADLP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NCCn2cc[nH+]c2)C1 ZINC001118336382 812533053 /nfs/dbraw/zinc/53/30/53/812533053.db2.gz KMNCWCLWTSYGKY-TXEJJXNPSA-N 2 2 293.371 -0.544 20 0 CBADLP CCOC(=O)[C@@]12C[C@@H]1CCN2C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001158523501 815536039 /nfs/dbraw/zinc/53/60/39/815536039.db2.gz IHEAPISTDOWBQJ-NURSFMCSSA-N 2 2 292.339 -0.166 20 0 CBADLP CCOC(=O)[C@]12C[C@H]1CCN2C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001158533509 815537053 /nfs/dbraw/zinc/53/70/53/815537053.db2.gz MSBGNEZXEZHDAH-QYTUQVAYSA-N 2 2 267.329 -0.913 20 0 CBADLP COC(=O)[C@@H]([NH3+])CC(=O)N1C[C@H](CF)[C@@H](C2([NH3+])CC2)C1 ZINC001158568757 815537980 /nfs/dbraw/zinc/53/79/80/815537980.db2.gz SNXLANSVWWLKFE-GUBZILKMSA-N 2 2 287.335 -0.588 20 0 CBADLP CC(C)[NH2+]CC(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001118569754 812579247 /nfs/dbraw/zinc/57/92/47/812579247.db2.gz MQTSHPDPSFUGNP-JTQLQIEISA-N 2 2 256.350 -0.950 20 0 CBADLP CC(C)[NH2+]CC(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001118569754 812579249 /nfs/dbraw/zinc/57/92/49/812579249.db2.gz MQTSHPDPSFUGNP-JTQLQIEISA-N 2 2 256.350 -0.950 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@H]3CCNC3=O)C2)CC1 ZINC001118660188 812594858 /nfs/dbraw/zinc/59/48/58/812594858.db2.gz CBDQHJKHXVIYDY-AAEUAGOBSA-N 2 2 294.399 -0.593 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@H]3CCNC3=O)C2)CC1 ZINC001118660188 812594865 /nfs/dbraw/zinc/59/48/65/812594865.db2.gz CBDQHJKHXVIYDY-AAEUAGOBSA-N 2 2 294.399 -0.593 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001158579524 815539842 /nfs/dbraw/zinc/53/98/42/815539842.db2.gz UKOARLPRQFVLGZ-YTWAJWBKSA-N 3 2 270.352 -0.932 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)CC1 ZINC001158605067 815540851 /nfs/dbraw/zinc/54/08/51/815540851.db2.gz UTRUEYMUEMSCSO-ZDUSSCGKSA-N 3 2 284.404 -0.896 20 0 CBADLP O=C(N1CCCC(=O)CC1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001158658908 815543049 /nfs/dbraw/zinc/54/30/49/815543049.db2.gz MQMUXZYYOSDNAT-GXFFZTMASA-N 2 2 251.330 -0.481 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNc1cncc(N2CC[NH2+]CC2)n1 ZINC001158707401 815543807 /nfs/dbraw/zinc/54/38/07/815543807.db2.gz NYWQYJZDOZLLDK-LBPRGKRZSA-N 2 2 292.387 -0.371 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNc1cncc(N2CC[NH2+]CC2)n1 ZINC001158707401 815543813 /nfs/dbraw/zinc/54/38/13/815543813.db2.gz NYWQYJZDOZLLDK-LBPRGKRZSA-N 2 2 292.387 -0.371 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNc1ccc(N2CC[NH2+]CC2)nn1 ZINC001158702395 815543951 /nfs/dbraw/zinc/54/39/51/815543951.db2.gz QFBPBZXIEQNCHU-GFCCVEGCSA-N 2 2 292.387 -0.371 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNc1ccc(N2CC[NH2+]CC2)nn1 ZINC001158702395 815543953 /nfs/dbraw/zinc/54/39/53/815543953.db2.gz QFBPBZXIEQNCHU-GFCCVEGCSA-N 2 2 292.387 -0.371 20 0 CBADLP CN(CCOCC[NH3+])C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC001118917985 812661887 /nfs/dbraw/zinc/66/18/87/812661887.db2.gz RNTGYBRELPIUAV-LLVKDONJSA-N 2 2 281.360 -0.185 20 0 CBADLP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCn2c[nH+]cc2C1 ZINC001118963395 812677717 /nfs/dbraw/zinc/67/77/17/812677717.db2.gz SOSKYGBNMJEJOX-VIFPVBQESA-N 2 2 265.317 -0.969 20 0 CBADLP C[C@H](c1nc(C2([NH3+])CCC2)no1)N1CC[NH2+]CC1=O ZINC001119063249 812703937 /nfs/dbraw/zinc/70/39/37/812703937.db2.gz WRNIWASTPNJGHK-MRVPVSSYSA-N 2 2 265.317 -0.100 20 0 CBADLP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001119236780 812727661 /nfs/dbraw/zinc/72/76/61/812727661.db2.gz CQDVQQYAJSWFFB-TVNDVJIGSA-N 2 2 294.399 -0.536 20 0 CBADLP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001119236780 812727666 /nfs/dbraw/zinc/72/76/66/812727666.db2.gz CQDVQQYAJSWFFB-TVNDVJIGSA-N 2 2 294.399 -0.536 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)/C=C/[C@@H]1CCC[NH2+]C1 ZINC001119295314 812744315 /nfs/dbraw/zinc/74/43/15/812744315.db2.gz HGTCFSDYFZBJTM-AAAGKOELSA-N 2 2 295.383 -0.094 20 0 CBADLP C[C@H]1C[C@H]2CN(C(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)CC[C@H]2O1 ZINC001158863588 815550476 /nfs/dbraw/zinc/55/04/76/815550476.db2.gz QIKZOWHAIWZJQZ-HHHUOAJASA-N 2 2 253.346 -0.299 20 0 CBADLP CCN(C(=O)c1n[nH]c2c1C[NH2+]CC2)[C@@H]1CC[NH2+]C1 ZINC001119322600 812753529 /nfs/dbraw/zinc/75/35/29/812753529.db2.gz QFNZJLVYOMKIRA-SECBINFHSA-N 2 2 263.345 -0.121 20 0 CBADLP CNC(=O)C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC001119316797 812754137 /nfs/dbraw/zinc/75/41/37/812754137.db2.gz FUSYVIZEMIIBCL-UHFFFAOYSA-N 2 2 254.378 -0.556 20 0 CBADLP C[C@H]([NH3+])CCNC(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC001119350903 812762685 /nfs/dbraw/zinc/76/26/85/812762685.db2.gz MCBVYXOFULIHIF-UWVGGRQHSA-N 2 2 267.333 -0.759 20 0 CBADLP Cn1c[nH+]cc1CNC(=O)NC[C@H]1C[NH2+]CCO1 ZINC001119476832 812790006 /nfs/dbraw/zinc/79/00/06/812790006.db2.gz JBPLRHDNBAHIPC-SNVBAGLBSA-N 2 2 253.306 -0.792 20 0 CBADLP COC[C@@H]1CN(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)Cc2cn(C)nc21 ZINC001159017893 815554989 /nfs/dbraw/zinc/55/49/89/815554989.db2.gz IKTJLPSUOZCZJV-TUAOUCFPSA-N 2 2 293.371 -0.819 20 0 CBADLP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCC[NH+]1CC=CC1 ZINC001119597310 812826387 /nfs/dbraw/zinc/82/63/87/812826387.db2.gz CDAHXCJNHMZLJN-WCQYABFASA-N 2 2 253.346 -0.571 20 0 CBADLP COCc1[nH]nc2c1CN(C(=O)[C@@H]1C[NH2+]CC13C[NH2+]C3)C2 ZINC001159090309 815559090 /nfs/dbraw/zinc/55/90/90/815559090.db2.gz CFNCBTPSACQIJT-JTQLQIEISA-N 2 2 291.355 -0.793 20 0 CBADLP CCO[C@@H]1CN(C(=O)C2([NH3+])CC[NH2+]CC2)[C@@H]2CCCO[C@H]12 ZINC001159085330 815559107 /nfs/dbraw/zinc/55/91/07/815559107.db2.gz RLHMWMYJDJVTAH-UPJWGTAASA-N 2 2 297.399 -0.138 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC001119653435 812855888 /nfs/dbraw/zinc/85/58/88/812855888.db2.gz FLJHTEFNXRHIPO-LLVKDONJSA-N 2 2 250.302 -0.770 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC001119653435 812855899 /nfs/dbraw/zinc/85/58/99/812855899.db2.gz FLJHTEFNXRHIPO-LLVKDONJSA-N 2 2 250.302 -0.770 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@H](O)C[C@@]1(O)CCOC1 ZINC001120376879 812955726 /nfs/dbraw/zinc/95/57/26/812955726.db2.gz NMGFBUZOELYRID-UPJWGTAASA-N 2 2 269.345 -0.236 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CC3(C2)CC[N@H+](CC2CC2)C3)C1 ZINC001159291168 815567743 /nfs/dbraw/zinc/56/77/43/815567743.db2.gz LTUZKJDOOMXCOA-OLZOCXBDSA-N 3 2 278.400 -0.380 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CC3(C2)CC[N@@H+](CC2CC2)C3)C1 ZINC001159291168 815567747 /nfs/dbraw/zinc/56/77/47/815567747.db2.gz LTUZKJDOOMXCOA-OLZOCXBDSA-N 3 2 278.400 -0.380 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)NCC2=CC[NH2+]CC2)CC1 ZINC001120631596 813003999 /nfs/dbraw/zinc/00/39/99/813003999.db2.gz NATKEBACUDELRT-UHFFFAOYSA-N 3 2 281.404 -0.372 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001120688231 813011458 /nfs/dbraw/zinc/01/14/58/813011458.db2.gz ZONGJCRUIVVLCT-NEPJUHHUSA-N 2 2 253.346 -0.473 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001120688231 813011464 /nfs/dbraw/zinc/01/14/64/813011464.db2.gz ZONGJCRUIVVLCT-NEPJUHHUSA-N 2 2 253.346 -0.473 20 0 CBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)c1cc[nH+]c(N)n1 ZINC001120822621 813022436 /nfs/dbraw/zinc/02/24/36/813022436.db2.gz ZBGHBRJMUJOXDW-SNVBAGLBSA-N 2 2 267.333 -0.812 20 0 CBADLP CN1CC[N@H+](C)C[C@@H]1CNc1nccnc1C[NH3+] ZINC001120895445 813026642 /nfs/dbraw/zinc/02/66/42/813026642.db2.gz BHRYOUGYODHDBO-JTQLQIEISA-N 2 2 250.350 -0.407 20 0 CBADLP CN1CC[N@@H+](C)C[C@@H]1CNc1nccnc1C[NH3+] ZINC001120895445 813026648 /nfs/dbraw/zinc/02/66/48/813026648.db2.gz BHRYOUGYODHDBO-JTQLQIEISA-N 2 2 250.350 -0.407 20 0 CBADLP Cc1c[nH+]c2n1CCC21CCN(C(=O)[C@@H](N)C[NH3+])CC1 ZINC001159381583 815572055 /nfs/dbraw/zinc/57/20/55/815572055.db2.gz BJYMDNZRNWQONK-NSHDSACASA-N 2 2 277.372 -0.259 20 0 CBADLP Cc1nc(N[C@@H](CO)CNC(=O)[C@@H]2CCC[N@H+]2C)cc[nH+]1 ZINC001121241722 813057666 /nfs/dbraw/zinc/05/76/66/813057666.db2.gz OAZOEQGADDFZTG-NEPJUHHUSA-N 2 2 293.371 -0.232 20 0 CBADLP Cc1nc(N[C@@H](CO)CNC(=O)[C@@H]2CCC[N@@H+]2C)cc[nH+]1 ZINC001121241722 813057677 /nfs/dbraw/zinc/05/76/77/813057677.db2.gz OAZOEQGADDFZTG-NEPJUHHUSA-N 2 2 293.371 -0.232 20 0 CBADLP [NH3+]CCCn1ccc(C(=O)NCCn2cc[nH+]c2)n1 ZINC001121900104 813086008 /nfs/dbraw/zinc/08/60/08/813086008.db2.gz BAPQXYOZGVPVRZ-UHFFFAOYSA-N 2 2 262.317 -0.142 20 0 CBADLP C[NH2+]C1CC(C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)C1 ZINC001121928362 813090670 /nfs/dbraw/zinc/09/06/70/813090670.db2.gz NVUBYKXENVMASE-HIFPTAJRSA-N 2 2 268.405 -0.264 20 0 CBADLP COCC[N@@H+]1CC[C@@H](NC(=O)C[C@H]([NH3+])C(F)F)C1 ZINC001121920690 813090980 /nfs/dbraw/zinc/09/09/80/813090980.db2.gz KGQDADVRORMLHV-BDAKNGLRSA-N 2 2 265.304 -0.194 20 0 CBADLP COCC[N@H+]1CC[C@@H](NC(=O)C[C@H]([NH3+])C(F)F)C1 ZINC001121920690 813090989 /nfs/dbraw/zinc/09/09/89/813090989.db2.gz KGQDADVRORMLHV-BDAKNGLRSA-N 2 2 265.304 -0.194 20 0 CBADLP [NH3+][C@H](CO)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC001122039239 813109228 /nfs/dbraw/zinc/10/92/28/813109228.db2.gz FEZJHNNKFWLDFF-NXEZZACHSA-N 2 2 250.302 -0.904 20 0 CBADLP CC(C)C[C@@H](C(=O)NC[C@@H](O)C[NH3+])n1cc[nH+]c1 ZINC001122072709 813112955 /nfs/dbraw/zinc/11/29/55/813112955.db2.gz DGVKSOFPVFNGAG-QWRGUYRKSA-N 2 2 254.334 -0.094 20 0 CBADLP C[NH2+]CCOCCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001122089192 813115224 /nfs/dbraw/zinc/11/52/24/813115224.db2.gz RKUOSLANQLXDJE-JTQLQIEISA-N 2 2 254.334 -0.060 20 0 CBADLP C[NH2+]CCOCCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001122089192 813115230 /nfs/dbraw/zinc/11/52/30/813115230.db2.gz RKUOSLANQLXDJE-JTQLQIEISA-N 2 2 254.334 -0.060 20 0 CBADLP Nc1cccc(C(=O)NCC[NH+]2CCC([NH3+])CC2)n1 ZINC001122157508 813125905 /nfs/dbraw/zinc/12/59/05/813125905.db2.gz NBQMNJYQBIEOGU-UHFFFAOYSA-N 2 2 263.345 -0.183 20 0 CBADLP C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001122182090 813128672 /nfs/dbraw/zinc/12/86/72/813128672.db2.gz NSRXGQKLJORQLB-HBNTYKKESA-N 2 2 266.345 -0.438 20 0 CBADLP C[C@@H](NC(=O)C1CC[NH2+]CC1)[C@H]1CN(C)CC[N@@H+]1C ZINC001122447126 813165565 /nfs/dbraw/zinc/16/55/65/813165565.db2.gz BILZNJRWOZPZIY-DGCLKSJQSA-N 2 2 268.405 -0.264 20 0 CBADLP C[C@@H](NC(=O)C1CC[NH2+]CC1)[C@H]1CN(C)CC[N@H+]1C ZINC001122447126 813165569 /nfs/dbraw/zinc/16/55/69/813165569.db2.gz BILZNJRWOZPZIY-DGCLKSJQSA-N 2 2 268.405 -0.264 20 0 CBADLP C[NH2+]C1CC(C(=O)N[C@H](C)[C@@H]2CN(C)CC[N@@H+]2C)C1 ZINC001122449046 813166194 /nfs/dbraw/zinc/16/61/94/813166194.db2.gz RGVDADCHSCQIEQ-XVSSEFHLSA-N 2 2 268.405 -0.265 20 0 CBADLP C[NH2+]C1CC(C(=O)N[C@H](C)[C@@H]2CN(C)CC[N@H+]2C)C1 ZINC001122449046 813166200 /nfs/dbraw/zinc/16/62/00/813166200.db2.gz RGVDADCHSCQIEQ-XVSSEFHLSA-N 2 2 268.405 -0.265 20 0 CBADLP CCc1nocc1C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125214077 813532693 /nfs/dbraw/zinc/53/26/93/813532693.db2.gz OKBJMQQIYQAGPX-ZDUSSCGKSA-N 2 2 296.371 -0.227 20 0 CBADLP CCc1nocc1C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125214077 813532699 /nfs/dbraw/zinc/53/26/99/813532699.db2.gz OKBJMQQIYQAGPX-ZDUSSCGKSA-N 2 2 296.371 -0.227 20 0 CBADLP Cc1nnsc1C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125221737 813534796 /nfs/dbraw/zinc/53/47/96/813534796.db2.gz SYVKTOZHXWQRIM-SNVBAGLBSA-N 2 2 299.400 -0.617 20 0 CBADLP Cc1nnsc1C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125221737 813534805 /nfs/dbraw/zinc/53/48/05/813534805.db2.gz SYVKTOZHXWQRIM-SNVBAGLBSA-N 2 2 299.400 -0.617 20 0 CBADLP CCn1ccc(C[NH2+]CCNC(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC001125220529 813535809 /nfs/dbraw/zinc/53/58/09/813535809.db2.gz ISBWNINWRAETML-ZDUSSCGKSA-N 2 2 295.387 -0.561 20 0 CBADLP CCn1ccc(C[NH2+]CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001125220529 813535812 /nfs/dbraw/zinc/53/58/12/813535812.db2.gz ISBWNINWRAETML-ZDUSSCGKSA-N 2 2 295.387 -0.561 20 0 CBADLP Cc1nnc(C[NH2+]CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)o1 ZINC001127474221 813731795 /nfs/dbraw/zinc/73/17/95/813731795.db2.gz KGGXWCSSFWSEIE-GFCCVEGCSA-N 2 2 293.371 -0.074 20 0 CBADLP C[C@@H](O)C[NH2+]CCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001127772234 813747418 /nfs/dbraw/zinc/74/74/18/813747418.db2.gz FHRUBOIYADSNRB-MFKMUULPSA-N 2 2 295.387 -0.123 20 0 CBADLP C[C@@H](O)C[NH2+]CCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001127772234 813747422 /nfs/dbraw/zinc/74/74/22/813747422.db2.gz FHRUBOIYADSNRB-MFKMUULPSA-N 2 2 295.387 -0.123 20 0 CBADLP C[C@@H]([NH2+]CCNC(=O)Cc1cn2c([nH+]1)CCCC2)C(N)=O ZINC001127785760 813749097 /nfs/dbraw/zinc/74/90/97/813749097.db2.gz PQWJSEJEKYIZMY-SNVBAGLBSA-N 2 2 293.371 -0.659 20 0 CBADLP C[C@H](O)C[NH2+]CCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001127785869 813749549 /nfs/dbraw/zinc/74/95/49/813749549.db2.gz RMFHICXSXMCBCZ-NSHDSACASA-N 2 2 280.372 -0.152 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001128967207 813810837 /nfs/dbraw/zinc/81/08/37/813810837.db2.gz GODYWSVZUHAUPL-SECBINFHSA-N 2 2 267.333 -0.817 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)CCc1c[nH+]c[nH]1 ZINC001128967207 813810843 /nfs/dbraw/zinc/81/08/43/813810843.db2.gz GODYWSVZUHAUPL-SECBINFHSA-N 2 2 267.333 -0.817 20 0 CBADLP CCCNC(=O)C[NH2+]CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001128967457 813811993 /nfs/dbraw/zinc/81/19/93/813811993.db2.gz QTXKSZPXKRGHIS-UHFFFAOYSA-N 2 2 281.360 -0.426 20 0 CBADLP CCN(CC)C(=O)C[NH2+]CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001128992260 813814732 /nfs/dbraw/zinc/81/47/32/813814732.db2.gz XNCPHVFGOHPOKU-UHFFFAOYSA-N 2 2 295.387 -0.084 20 0 CBADLP Cc1nnc(C[NH2+]CCNC(=O)[C@@H](C2CC2)[NH+](C)C)[nH]1 ZINC001129444013 813844708 /nfs/dbraw/zinc/84/47/08/813844708.db2.gz OJKACMUVUSOVGQ-GFCCVEGCSA-N 2 2 280.376 -0.341 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001129891473 813876691 /nfs/dbraw/zinc/87/66/91/813876691.db2.gz MEEBJDCEOUFTPP-IVZWLZJFSA-N 2 2 279.344 -0.647 20 0 CBADLP CN1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1=O ZINC001129892941 813877077 /nfs/dbraw/zinc/87/70/77/813877077.db2.gz FNYFEKZPRKXOGY-GMTAPVOTSA-N 2 2 291.355 -0.550 20 0 CBADLP CC(C)[C@@H](C(=O)NCC[NH2+]Cc1cnon1)[NH+](C)C ZINC001129950446 813882176 /nfs/dbraw/zinc/88/21/76/813882176.db2.gz URASZQOKKRHSAF-NSHDSACASA-N 2 2 269.349 -0.138 20 0 CBADLP COc1cc[nH+]cc1CC(=O)NCC[NH2+]CCOCCO ZINC001130173787 813914100 /nfs/dbraw/zinc/91/41/00/813914100.db2.gz ODKROSXOQAOUBD-UHFFFAOYSA-N 2 2 297.355 -0.653 20 0 CBADLP Cc1nnc(C[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)o1 ZINC001130180807 813914208 /nfs/dbraw/zinc/91/42/08/813914208.db2.gz ZSIHMDBXAHPZIH-MWLCHTKSSA-N 2 2 297.359 -0.697 20 0 CBADLP Cc1nnc(C[NH2+]CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)o1 ZINC001130180807 813914214 /nfs/dbraw/zinc/91/42/14/813914214.db2.gz ZSIHMDBXAHPZIH-MWLCHTKSSA-N 2 2 297.359 -0.697 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2ccon2)O1 ZINC001130180733 813914386 /nfs/dbraw/zinc/91/43/86/813914386.db2.gz WAVLEULFAGRICT-ZYHUDNBSSA-N 2 2 282.344 -0.401 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2ccon2)O1 ZINC001130180733 813914390 /nfs/dbraw/zinc/91/43/90/813914390.db2.gz WAVLEULFAGRICT-ZYHUDNBSSA-N 2 2 282.344 -0.401 20 0 CBADLP O=C(NCC[NH2+]CCOCCO)c1cc2c[nH+]ccc2[nH]1 ZINC001130266223 813922392 /nfs/dbraw/zinc/92/23/92/813922392.db2.gz PKNXTUYOOMAYEA-UHFFFAOYSA-N 2 2 292.339 -0.109 20 0 CBADLP C[C@@H](O)C[NH2+]CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001130404842 813937087 /nfs/dbraw/zinc/93/70/87/813937087.db2.gz QGTUYFRHOVAHOU-GHMZBOCLSA-N 2 2 266.345 -0.468 20 0 CBADLP CC[C@@H]([NH2+]CCNC(=O)[C@H]1CCn2cc[nH+]c2C1)C(N)=O ZINC001130484180 813943237 /nfs/dbraw/zinc/94/32/37/813943237.db2.gz GVYWYVZSZBUFCD-WDEREUQCSA-N 2 2 293.371 -0.585 20 0 CBADLP O=C(NCC[NH2+]CCOCCO)[C@@H]1CCc2[nH+]ccn2C1 ZINC001130477819 813943746 /nfs/dbraw/zinc/94/37/46/813943746.db2.gz LOUJLGWJXYQSPV-GFCCVEGCSA-N 2 2 296.371 -0.840 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001130478258 813943846 /nfs/dbraw/zinc/94/38/46/813943846.db2.gz WUHIETMZDRJDLW-MNOVXSKESA-N 2 2 293.371 -0.714 20 0 CBADLP O=C(NCC[NH2+]CCOCCO)[C@@H]1CCn2cc[nH+]c2C1 ZINC001130481508 813943868 /nfs/dbraw/zinc/94/38/68/813943868.db2.gz VJPZLJHPDPWAAF-GFCCVEGCSA-N 2 2 296.371 -0.840 20 0 CBADLP O=C(NCC[NH2+]CCO)[C@H]1CCn2cc[nH+]c2C1 ZINC001130483963 813943892 /nfs/dbraw/zinc/94/38/92/813943892.db2.gz BCBXCYDEFRREEY-JTQLQIEISA-N 2 2 252.318 -0.856 20 0 CBADLP COCC[NH2+]CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001130481606 813944246 /nfs/dbraw/zinc/94/42/46/813944246.db2.gz XLYMQCGUBLBTCQ-LLVKDONJSA-N 2 2 266.345 -0.202 20 0 CBADLP O=C(NCC[NH2+][C@@H]1CCNC1=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001130488117 813945968 /nfs/dbraw/zinc/94/59/68/813945968.db2.gz NAQSYNLTHJKRNV-ZYHUDNBSSA-N 2 2 291.355 -0.960 20 0 CBADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)NCC[NH2+]C[C@@H](C)O)C2 ZINC001130491655 813946151 /nfs/dbraw/zinc/94/61/51/813946151.db2.gz YBMCLXVBIOLIKV-KOLCDFICSA-N 2 2 280.372 -0.090 20 0 CBADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)NCC[NH2+]C[C@@H](C)O)CC2 ZINC001130491655 813946155 /nfs/dbraw/zinc/94/61/55/813946155.db2.gz YBMCLXVBIOLIKV-KOLCDFICSA-N 2 2 280.372 -0.090 20 0 CBADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)NCC[NH2+]C[C@H](C)O)C2 ZINC001130491657 813946544 /nfs/dbraw/zinc/94/65/44/813946544.db2.gz YBMCLXVBIOLIKV-ONGXEEELSA-N 2 2 280.372 -0.090 20 0 CBADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)NCC[NH2+]C[C@H](C)O)CC2 ZINC001130491657 813946545 /nfs/dbraw/zinc/94/65/45/813946545.db2.gz YBMCLXVBIOLIKV-ONGXEEELSA-N 2 2 280.372 -0.090 20 0 CBADLP O=C(NCC[NH2+]CCCO)[C@@H]1CCc2c[nH+]cn2C1 ZINC001130488783 813946596 /nfs/dbraw/zinc/94/65/96/813946596.db2.gz WHEZBQASLKFKRB-LLVKDONJSA-N 2 2 266.345 -0.466 20 0 CBADLP Cc1nnc(C[NH2+]CCNC(=O)C23CCC[NH+]2CCC3)[nH]1 ZINC001130808525 813983222 /nfs/dbraw/zinc/98/32/22/813983222.db2.gz FHNZVGKPLUUJLQ-UHFFFAOYSA-N 2 2 292.387 -0.053 20 0 CBADLP CCC[NH2+]CCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001131613445 814048292 /nfs/dbraw/zinc/04/82/92/814048292.db2.gz BCRIGJKVPZNCTD-KGLIPLIRSA-N 2 2 299.415 -0.018 20 0 CBADLP Cn1cc(C[NH2+]CCNC(=O)CCc2[nH+]ccn2C)cn1 ZINC001131639488 814048720 /nfs/dbraw/zinc/04/87/20/814048720.db2.gz HPTMSYPLSHQAIG-UHFFFAOYSA-N 2 2 290.371 -0.008 20 0 CBADLP O=C(NCC[NH2+]CCO)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC001131825087 814071815 /nfs/dbraw/zinc/07/18/15/814071815.db2.gz KYECOCGZBNNTKG-ZDUSSCGKSA-N 2 2 285.388 -0.815 20 0 CBADLP O=C(NCC[NH2+]CCO)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC001131825087 814071822 /nfs/dbraw/zinc/07/18/22/814071822.db2.gz KYECOCGZBNNTKG-ZDUSSCGKSA-N 2 2 285.388 -0.815 20 0 CBADLP O=C(NCC[NH2+]CCCO)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC001131824702 814072306 /nfs/dbraw/zinc/07/23/06/814072306.db2.gz FVIXOJYOOUGZHF-CQSZACIVSA-N 2 2 299.415 -0.425 20 0 CBADLP O=C(NCC[NH2+]CCCO)[C@H]1COCC[N@H+]1CC1CCC1 ZINC001131824702 814072314 /nfs/dbraw/zinc/07/23/14/814072314.db2.gz FVIXOJYOOUGZHF-CQSZACIVSA-N 2 2 299.415 -0.425 20 0 CBADLP CC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)CCn1cc[nH+]c1 ZINC001132079858 814099779 /nfs/dbraw/zinc/09/97/79/814099779.db2.gz PVGJRMDZQFFDAM-GFCCVEGCSA-N 2 2 295.387 -0.106 20 0 CBADLP COCCOCC[NH2+]CCNC(=O)CCn1cc[nH+]c1 ZINC001132079595 814100918 /nfs/dbraw/zinc/10/09/18/814100918.db2.gz CNVCOVKCUXUAMP-UHFFFAOYSA-N 2 2 284.360 -0.358 20 0 CBADLP CCCNC(=O)[C@H](C)[NH2+]CCNC(=O)CCn1cc[nH+]c1 ZINC001132084709 814103035 /nfs/dbraw/zinc/10/30/35/814103035.db2.gz HIQYLWOPCAOUID-LBPRGKRZSA-N 2 2 295.387 -0.106 20 0 CBADLP C[C@@H](O)C[NH2+]CCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001132783919 814188709 /nfs/dbraw/zinc/18/87/09/814188709.db2.gz AFWKTIBRTZEHRM-TZMCWYRMSA-N 2 2 299.415 -0.284 20 0 CBADLP C[C@@H](O)C[NH2+]CCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001132783919 814188715 /nfs/dbraw/zinc/18/87/15/814188715.db2.gz AFWKTIBRTZEHRM-TZMCWYRMSA-N 2 2 299.415 -0.284 20 0 CBADLP O=C(NCC[NH2+]CCCO)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001132783935 814188811 /nfs/dbraw/zinc/18/88/11/814188811.db2.gz BDOSMCOZBAFOHL-CQSZACIVSA-N 2 2 299.415 -0.282 20 0 CBADLP O=C(NCC[NH2+]CCCO)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001132783935 814188817 /nfs/dbraw/zinc/18/88/17/814188817.db2.gz BDOSMCOZBAFOHL-CQSZACIVSA-N 2 2 299.415 -0.282 20 0 CBADLP C[C@H](O)C[NH2+]CCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001132783917 814189625 /nfs/dbraw/zinc/18/96/25/814189625.db2.gz AFWKTIBRTZEHRM-JSGCOSHPSA-N 2 2 299.415 -0.284 20 0 CBADLP C[C@H](O)C[NH2+]CCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001132783917 814189630 /nfs/dbraw/zinc/18/96/30/814189630.db2.gz AFWKTIBRTZEHRM-JSGCOSHPSA-N 2 2 299.415 -0.284 20 0 CBADLP Cc1nonc1C[NH2+]CCNC(=O)C1CC[NH+](C)CC1 ZINC001133286123 814236023 /nfs/dbraw/zinc/23/60/23/814236023.db2.gz YEXROCVDCMRHNF-UHFFFAOYSA-N 2 2 281.360 -0.074 20 0 CBADLP C[NH+](C)CCC(=O)NCC[NH2+]Cc1ncccn1 ZINC001133294816 814240035 /nfs/dbraw/zinc/24/00/35/814240035.db2.gz VPTKUGWTOFBMSQ-UHFFFAOYSA-N 2 2 251.334 -0.366 20 0 CBADLP C[C@H]([NH2+]CCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21)C(N)=O ZINC001133664632 814283558 /nfs/dbraw/zinc/28/35/58/814283558.db2.gz VUKIDPCZCXVWKI-IUCAKERBSA-N 2 2 279.344 -0.591 20 0 CBADLP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21)C(N)=O ZINC001133664633 814284553 /nfs/dbraw/zinc/28/45/53/814284553.db2.gz VUKIDPCZCXVWKI-RKDXNWHRSA-N 2 2 279.344 -0.591 20 0 CBADLP NC(=O)C[NH2+]CCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001133663908 814284577 /nfs/dbraw/zinc/28/45/77/814284577.db2.gz JKDPHOYFKOKUKB-QMMMGPOBSA-N 2 2 265.317 -0.979 20 0 CBADLP COC[C@H](O)C[NH2+]CCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001133664748 814284733 /nfs/dbraw/zinc/28/47/33/814284733.db2.gz YUBLHRGFORORKY-GHMZBOCLSA-N 2 2 296.371 -0.457 20 0 CBADLP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]Cc1cnsn1 ZINC001133862893 814311877 /nfs/dbraw/zinc/31/18/77/814311877.db2.gz HWLHFWYOHQRLRZ-GXSJLCMTSA-N 2 2 283.401 -0.058 20 0 CBADLP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]Cc1cnsn1 ZINC001133862893 814311885 /nfs/dbraw/zinc/31/18/85/814311885.db2.gz HWLHFWYOHQRLRZ-GXSJLCMTSA-N 2 2 283.401 -0.058 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]Cc1nncs1 ZINC001133862805 814311913 /nfs/dbraw/zinc/31/19/13/814311913.db2.gz GHJRHUVQRMOZGH-NXEZZACHSA-N 2 2 283.401 -0.058 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]Cc1nncs1 ZINC001133862805 814311917 /nfs/dbraw/zinc/31/19/17/814311917.db2.gz GHJRHUVQRMOZGH-NXEZZACHSA-N 2 2 283.401 -0.058 20 0 CBADLP CCCn1nnnc1C[NH2+]CCNC(=O)[C@H](CC)[NH+](C)C ZINC001133966242 814331792 /nfs/dbraw/zinc/33/17/92/814331792.db2.gz ZHVPGHQRFUHMSG-NSHDSACASA-N 2 2 297.407 -0.371 20 0 CBADLP CC[C@@H](C(=O)NCC[NH2+]Cc1cnon1)[NH+](C)C ZINC001133965980 814331898 /nfs/dbraw/zinc/33/18/98/814331898.db2.gz RWECUYULHWEFCZ-JTQLQIEISA-N 2 2 255.322 -0.384 20 0 CBADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[NH2+][C@@H]1CCNC1=O ZINC001134049848 814346589 /nfs/dbraw/zinc/34/65/89/814346589.db2.gz REQRGGISRQUCJD-GMTAPVOTSA-N 2 2 291.355 -0.882 20 0 CBADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[NH2+][C@H]1CCNC1=O ZINC001134049849 814346895 /nfs/dbraw/zinc/34/68/95/814346895.db2.gz REQRGGISRQUCJD-MXWKQRLJSA-N 2 2 291.355 -0.882 20 0 CBADLP CC(C)CNC(=O)[C@@H](C)[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001134400313 814379625 /nfs/dbraw/zinc/37/96/25/814379625.db2.gz JTQURMBZXGDYLE-LLVKDONJSA-N 2 2 295.387 -0.181 20 0 CBADLP C[C@H](O)CCC[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001134397171 814379755 /nfs/dbraw/zinc/37/97/55/814379755.db2.gz KPPABDSVGBKKHS-JTQLQIEISA-N 2 2 254.334 -0.181 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NCC[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001134397925 814380111 /nfs/dbraw/zinc/38/01/11/814380111.db2.gz ZAJUTUFDFYRFFK-LLVKDONJSA-N 2 2 293.371 -0.426 20 0 CBADLP CC(C)N1CC[C@H]([NH2+]CCNC(=O)Cc2c[nH]c[nH+]2)C1=O ZINC001134397947 814380681 /nfs/dbraw/zinc/38/06/81/814380681.db2.gz ZGVTXSMUZJGCQW-LBPRGKRZSA-N 2 2 293.371 -0.333 20 0 CBADLP CC(C)COC[C@H](O)C[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001134401328 814380778 /nfs/dbraw/zinc/38/07/78/814380778.db2.gz YOGLWIRCVOVIFJ-CYBMUJFWSA-N 2 2 298.387 -0.309 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NCC[NH2+]CC(=O)N1CCCC1 ZINC001134399948 814381071 /nfs/dbraw/zinc/38/10/71/814381071.db2.gz HNJVNSSPDLGPOI-UHFFFAOYSA-N 2 2 279.344 -0.720 20 0 CBADLP CCC(C)(C)NC(=O)C[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001134407161 814383442 /nfs/dbraw/zinc/38/34/42/814383442.db2.gz UOIAWASXUPAALK-UHFFFAOYSA-N 2 2 295.387 -0.037 20 0 CBADLP C[C@H](CC(=O)NCC[NH2+]C[C@H](C)O)n1cc[nH+]c1 ZINC001134498434 814388073 /nfs/dbraw/zinc/38/80/73/814388073.db2.gz GLBHQJYPNPXUAH-MNOVXSKESA-N 2 2 254.334 -0.079 20 0 CBADLP C[C@@H](CC(=O)NCC[NH2+]CC(=O)NC1CC1)n1cc[nH+]c1 ZINC001134498754 814388885 /nfs/dbraw/zinc/38/88/85/814388885.db2.gz ODOVOGCJSBOCAL-NSHDSACASA-N 2 2 293.371 -0.181 20 0 CBADLP C[C@@H](CC(=O)NCC[NH2+]CC(=O)N(C)C)n1cc[nH+]c1 ZINC001134499124 814389131 /nfs/dbraw/zinc/38/91/31/814389131.db2.gz WPLQFYGJVAAHIH-NSHDSACASA-N 2 2 281.360 -0.372 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+][C@@H]1CCNC1=O ZINC001135080173 814435652 /nfs/dbraw/zinc/43/56/52/814435652.db2.gz MCZCANKYWNPLSW-MWLCHTKSSA-N 2 2 279.344 -0.817 20 0 CBADLP CC[C@H]([NH2+]CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C(N)=O ZINC001135080455 814435974 /nfs/dbraw/zinc/43/59/74/814435974.db2.gz UKYVPGLNUSALIA-KOLCDFICSA-N 2 2 281.360 -0.442 20 0 CBADLP CC[C@H]([NH2+]CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1)C(N)=O ZINC001135080455 814435979 /nfs/dbraw/zinc/43/59/79/814435979.db2.gz UKYVPGLNUSALIA-KOLCDFICSA-N 2 2 281.360 -0.442 20 0 CBADLP Cc1nc(C[NH2+]CCNC(=O)CC[NH+]2CCOCC2)co1 ZINC001135352863 814468037 /nfs/dbraw/zinc/46/80/37/814468037.db2.gz WOFKHUISHYAWQH-UHFFFAOYSA-N 2 2 296.371 -0.089 20 0 CBADLP Cc1conc1C[NH2+]CCNC(=O)CC[NH+]1CCOCC1 ZINC001135352760 814469170 /nfs/dbraw/zinc/46/91/70/814469170.db2.gz RBVBOBPKHRZRIT-UHFFFAOYSA-N 2 2 296.371 -0.089 20 0 CBADLP CC[NH+](CC)CC(=O)NCC[NH2+]CCS(C)(=O)=O ZINC001135511409 814480879 /nfs/dbraw/zinc/48/08/79/814480879.db2.gz RCBBNBYRVXLEDZ-UHFFFAOYSA-N 2 2 279.406 -0.921 20 0 CBADLP CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001160326538 815616318 /nfs/dbraw/zinc/61/63/18/815616318.db2.gz MUMYZOMLMPCHCC-GHMZBOCLSA-N 2 2 293.371 -0.255 20 0 CBADLP CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001160326538 815616323 /nfs/dbraw/zinc/61/63/23/815616323.db2.gz MUMYZOMLMPCHCC-GHMZBOCLSA-N 2 2 293.371 -0.255 20 0 CBADLP NC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001160327328 815616771 /nfs/dbraw/zinc/61/67/71/815616771.db2.gz UIBXNYFUSGXOOB-RKDXNWHRSA-N 2 2 265.317 -0.906 20 0 CBADLP NC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001160327328 815616774 /nfs/dbraw/zinc/61/67/74/815616774.db2.gz UIBXNYFUSGXOOB-RKDXNWHRSA-N 2 2 265.317 -0.906 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NCC[NH2+]C[C@@H]1CCc2ncnn21 ZINC001135757410 814519475 /nfs/dbraw/zinc/51/94/75/814519475.db2.gz BOCVJXYZFAYBQD-JTQLQIEISA-N 2 2 289.343 -0.563 20 0 CBADLP CCN1CC[C@H]([NH2+]CCNC(=O)Cc2[nH]cc[nH+]2)C1=O ZINC001135757724 814519562 /nfs/dbraw/zinc/51/95/62/814519562.db2.gz NAFYRZZVLCHZFU-JTQLQIEISA-N 2 2 279.344 -0.721 20 0 CBADLP C[C@H](NC(=O)C[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001135760312 814521496 /nfs/dbraw/zinc/52/14/96/814521496.db2.gz LPNSVTLVTMTRPQ-JTQLQIEISA-N 2 2 293.371 -0.427 20 0 CBADLP C[C@H]([NH2+]CCNC(=O)Cc1[nH]cc[nH+]1)C(=O)NC1CC1 ZINC001135766531 814521540 /nfs/dbraw/zinc/52/15/40/814521540.db2.gz XFXGEXXBOYNMHW-VIFPVBQESA-N 2 2 279.344 -0.675 20 0 CBADLP C[C@@H]([NH2+]CCNC(=O)Cc1[nH]cc[nH+]1)C(=O)NC1CC1 ZINC001135766530 814521667 /nfs/dbraw/zinc/52/16/67/814521667.db2.gz XFXGEXXBOYNMHW-SECBINFHSA-N 2 2 279.344 -0.675 20 0 CBADLP CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001135799248 814528839 /nfs/dbraw/zinc/52/88/39/814528839.db2.gz UJYLBWRSZDFFLR-MNOVXSKESA-N 2 2 295.387 -0.039 20 0 CBADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1C[C@@H]2C[C@H]1C[C@H]2F ZINC001160427736 815619251 /nfs/dbraw/zinc/61/92/51/815619251.db2.gz NJMCROKGFJVHGG-IQMQYZSSSA-N 2 2 253.321 -0.105 20 0 CBADLP CC[N@@H+]1CC[C@H]1C(=O)N1CC[NH+](CCOC)CC1 ZINC001136648379 814566091 /nfs/dbraw/zinc/56/60/91/814566091.db2.gz NZXZOKBNMLMBJC-LBPRGKRZSA-N 2 2 255.362 -0.129 20 0 CBADLP CC[N@H+]1CC[C@H]1C(=O)N1CC[NH+](CCOC)CC1 ZINC001136648379 814566096 /nfs/dbraw/zinc/56/60/96/814566096.db2.gz NZXZOKBNMLMBJC-LBPRGKRZSA-N 2 2 255.362 -0.129 20 0 CBADLP C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CC3CC[NH+]2CC3)C1 ZINC001142633573 814725031 /nfs/dbraw/zinc/72/50/31/814725031.db2.gz QNTJHKBGZXCTKL-CHWSQXEVSA-N 2 2 267.373 -0.083 20 0 CBADLP C[N@H+]1CCO[C@H](CNC(=O)[C@H]2CC3CC[NH+]2CC3)C1 ZINC001142633573 814725033 /nfs/dbraw/zinc/72/50/33/814725033.db2.gz QNTJHKBGZXCTKL-CHWSQXEVSA-N 2 2 267.373 -0.083 20 0 CBADLP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001142904921 814739262 /nfs/dbraw/zinc/73/92/62/814739262.db2.gz PKHAFARRVARINP-NSHDSACASA-N 2 2 293.371 -0.344 20 0 CBADLP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001142904921 814739270 /nfs/dbraw/zinc/73/92/70/814739270.db2.gz PKHAFARRVARINP-NSHDSACASA-N 2 2 293.371 -0.344 20 0 CBADLP C[C@@H](O)C[NH2+]CCNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001146508765 814839620 /nfs/dbraw/zinc/83/96/20/814839620.db2.gz DRGVYCFCWMEBOH-LLVKDONJSA-N 2 2 289.339 -0.033 20 0 CBADLP CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001146755257 814847015 /nfs/dbraw/zinc/84/70/15/814847015.db2.gz IIDZJNOIWWYTKH-RYUDHWBXSA-N 2 2 295.387 -0.108 20 0 CBADLP C[C@H](C[C@H](C)NC(=O)Cn1cc[nH+]c1)[NH2+]CCOCCO ZINC001146755161 814847233 /nfs/dbraw/zinc/84/72/33/814847233.db2.gz HOTBJYBKIAWYJK-OLZOCXBDSA-N 2 2 298.387 -0.235 20 0 CBADLP Cc1nonc1C[NH2+]CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147877729 814923448 /nfs/dbraw/zinc/92/34/48/814923448.db2.gz NYQZRLMAAVCGLJ-LLVKDONJSA-N 2 2 281.360 -0.074 20 0 CBADLP Cc1nonc1C[NH2+]CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147877729 814923450 /nfs/dbraw/zinc/92/34/50/814923450.db2.gz NYQZRLMAAVCGLJ-LLVKDONJSA-N 2 2 281.360 -0.074 20 0 CBADLP CC[C@]([NH3+])(CO)Nc1ccnc(N2CC[NH+](C)CC2)n1 ZINC001159747552 815591908 /nfs/dbraw/zinc/59/19/08/815591908.db2.gz GVMHFFIWDFYJJC-CYBMUJFWSA-N 2 2 280.376 -0.302 20 0 CBADLP NC(=O)N1CCN(C(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)CC1 ZINC001160456748 815625567 /nfs/dbraw/zinc/62/55/67/815625567.db2.gz QHHAKFPEVBNMQE-GFCCVEGCSA-N 2 2 291.355 -0.518 20 0 CBADLP Cc1cc(CN(C)C(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)n(C)n1 ZINC001160475420 815626918 /nfs/dbraw/zinc/62/69/18/815626918.db2.gz OGBPCVNHMWAVHL-BXUZGUMPSA-N 2 2 277.372 -0.362 20 0 CBADLP Cc1cc(CN(C)C(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)n(C)n1 ZINC001160475425 815626920 /nfs/dbraw/zinc/62/69/20/815626920.db2.gz OGBPCVNHMWAVHL-RISCZKNCSA-N 2 2 277.372 -0.362 20 0 CBADLP CCN(CCC(N)=O)C(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001160470875 815626964 /nfs/dbraw/zinc/62/69/64/815626964.db2.gz JNUOWKYKVFGPQE-SECBINFHSA-N 2 2 253.306 -0.997 20 0 CBADLP CC1(C)C(=O)NCCN1C(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001160478329 815628437 /nfs/dbraw/zinc/62/84/37/815628437.db2.gz QVUZHEDXEDVPDF-GFCCVEGCSA-N 2 2 290.367 -0.004 20 0 CBADLP CC(=O)OC[C@H]([NH3+])C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC001160491226 815629632 /nfs/dbraw/zinc/62/96/32/815629632.db2.gz YACBXALIPFPLCF-ZDUSSCGKSA-N 2 2 299.371 -0.800 20 0 CBADLP N=c1nc([C@H]2CCC[NH2+]2)ccn1C(=O)[C@@H]1COCC[NH2+]1 ZINC001160539405 815634170 /nfs/dbraw/zinc/63/41/70/815634170.db2.gz SEYLRQSJMUIBNW-KOLCDFICSA-N 2 2 277.328 -0.584 20 0 CBADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCC12COC2 ZINC001160541786 815635376 /nfs/dbraw/zinc/63/53/76/815635376.db2.gz HYGZXBZTYRARDZ-SNVBAGLBSA-N 2 2 250.302 -0.329 20 0 CBADLP CCOC(=O)[C@@H]1CCCCN1C(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160580843 815641345 /nfs/dbraw/zinc/64/13/45/815641345.db2.gz CVZIRTYDNDZBQH-HUBLWGQQSA-N 2 2 295.383 -0.118 20 0 CBADLP CCOC(=O)[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001160582679 815641824 /nfs/dbraw/zinc/64/18/24/815641824.db2.gz PZYOKUIXGIXAIN-RVMXOQNASA-N 2 2 295.383 -0.120 20 0 CBADLP COC(=O)C[C@@H]1CN(C(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)CCO1 ZINC001160595594 815642750 /nfs/dbraw/zinc/64/27/50/815642750.db2.gz GIPJSMIGCUOSAQ-MNOVXSKESA-N 2 2 296.327 -0.930 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCC(c3ncccn3)CC2)C1 ZINC001160589427 815643144 /nfs/dbraw/zinc/64/31/44/815643144.db2.gz SOQLJOYCJPUKPJ-NEPJUHHUSA-N 2 2 275.356 -0.128 20 0 CBADLP Cc1cc[nH+]c(N2CCN(C(=O)[C@@H]([NH3+])CC[NH3+])CC2)c1 ZINC001160601946 815643730 /nfs/dbraw/zinc/64/37/30/815643730.db2.gz HVORTBWZBRFFNV-LBPRGKRZSA-N 3 2 277.372 -0.285 20 0 CBADLP [NH3+]C1(C(=O)N2CCN(CCF)CC2)CC[NH2+]CC1 ZINC001160629242 815645456 /nfs/dbraw/zinc/64/54/56/815645456.db2.gz KXSFZAFYVYTTMB-UHFFFAOYSA-N 2 2 258.341 -0.819 20 0 CBADLP O=C(N1CCN(CCF)CC1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160629580 815646662 /nfs/dbraw/zinc/64/66/62/815646662.db2.gz RIWGZEGWAZPKKQ-AAEUAGOBSA-N 2 2 270.352 -0.948 20 0 CBADLP COC(=O)[C@]1(C)CCCN(C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])C1 ZINC001160636175 815647944 /nfs/dbraw/zinc/64/79/44/815647944.db2.gz OXQUXZNBOYNDHX-OUJBWJOFSA-N 2 2 269.345 -0.665 20 0 CBADLP CO[C@@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)C1 ZINC001160647212 815651483 /nfs/dbraw/zinc/65/14/83/815651483.db2.gz AYYARYSWALUNAA-LOWVWBTDSA-N 2 2 253.346 -0.425 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC001160647280 815652069 /nfs/dbraw/zinc/65/20/69/815652069.db2.gz FCZKWVPLSUSLFI-AXFHLTTASA-N 3 2 269.324 -0.812 20 0 CBADLP CC1([NH+]2CCOCC2)CCN(C(=O)[C@@H]([NH3+])CC[NH3+])CC1 ZINC001160669321 815655669 /nfs/dbraw/zinc/65/56/69/815655669.db2.gz AZKCWQHUEHRPAA-LBPRGKRZSA-N 3 2 284.404 -0.624 20 0 CBADLP CC(C)[C@@H]1COCCN1C(=O)C1([NH3+])CC[NH2+]CC1 ZINC001160669565 815655726 /nfs/dbraw/zinc/65/57/26/815655726.db2.gz JAOPZGJVSICPEV-NSHDSACASA-N 2 2 255.362 -0.049 20 0 CBADLP CN(C[C@@H]1CCC[NH2+]C1)C(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160695651 815658581 /nfs/dbraw/zinc/65/85/81/815658581.db2.gz NYPKHXPUUVMDOR-YRGRVCCFSA-N 3 2 266.389 -0.604 20 0 CBADLP O=C([C@H]1[NH2+]CC[C@@H]1O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001160694158 815658962 /nfs/dbraw/zinc/65/89/62/815658962.db2.gz RRTYBZVSKHGZQF-DCAQKATOSA-N 2 2 264.329 -0.162 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2C[C@@H]3C[C@H]2[C@H](C(F)(F)F)O3)C1 ZINC001160765581 815668926 /nfs/dbraw/zinc/66/89/26/815668926.db2.gz BCXFYBDMCSWMPY-ZTKNNBQKSA-N 2 2 279.262 -0.394 20 0 CBADLP O=C(N1CCc2nccn2CC1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160760227 815669280 /nfs/dbraw/zinc/66/92/80/815669280.db2.gz HWKXBFALRSPGCG-SMDDNHRTSA-N 2 2 275.356 -0.781 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CC[C@]3(C2)CC(F)(F)CO3)C1 ZINC001160771886 815670053 /nfs/dbraw/zinc/67/00/53/815670053.db2.gz IMQSGSGXJIRGLH-WCABBAIRSA-N 2 2 275.299 -0.298 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CC[C@@]3(C2)CC(F)(F)CO3)C1 ZINC001160771887 815670149 /nfs/dbraw/zinc/67/01/49/815670149.db2.gz IMQSGSGXJIRGLH-YWVKMMECSA-N 2 2 275.299 -0.298 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CCC2(C[C@H](F)CO2)CC1 ZINC001160788495 815671703 /nfs/dbraw/zinc/67/17/03/815671703.db2.gz RWQLOFMIBIXNET-DCAQKATOSA-N 2 2 271.336 -0.347 20 0 CBADLP COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1([NH3+])CC[NH2+]CC1)C2 ZINC001160820454 815674726 /nfs/dbraw/zinc/67/47/26/815674726.db2.gz VPHNTNJIORTIKG-TUAOUCFPSA-N 2 2 295.383 -0.133 20 0 CBADLP C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)C2 ZINC001160962866 815691900 /nfs/dbraw/zinc/69/19/00/815691900.db2.gz FXTCTQUDCRXEBQ-HNCHTBHHSA-N 3 2 252.362 -0.914 20 0 CBADLP NC(=O)[C@H]1CCCN1c1cc(NC/C=C/C[NH3+])[nH+]cn1 ZINC001160982418 815692767 /nfs/dbraw/zinc/69/27/67/815692767.db2.gz KSHAMRZFVQUMLW-TXXBHVLJSA-N 2 2 276.344 -0.143 20 0 CBADLP NC(=O)[C@H]1CCCN1c1cc(NC/C=C/C[NH3+])nc[nH+]1 ZINC001160982418 815692771 /nfs/dbraw/zinc/69/27/71/815692771.db2.gz KSHAMRZFVQUMLW-TXXBHVLJSA-N 2 2 276.344 -0.143 20 0 CBADLP C[NH+]1CCC2(CCN(C(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])CC2)CC1 ZINC001160993566 815693207 /nfs/dbraw/zinc/69/32/07/815693207.db2.gz WUZDEANLGYETQZ-STQMWFEESA-N 3 2 280.416 -0.133 20 0 CBADLP CC(C)OC1CN(C(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)C1 ZINC001161010475 815695067 /nfs/dbraw/zinc/69/50/67/815695067.db2.gz RFVGOBBKDNWOGU-GXFFZTMASA-N 2 2 253.346 -0.426 20 0 CBADLP NC(=S)C1CCN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)CC1 ZINC001161031116 815700006 /nfs/dbraw/zinc/70/00/06/815700006.db2.gz SYHFAVJLLJURJW-BREBYQMCSA-N 2 2 282.413 -0.267 20 0 CBADLP NC(=S)C1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)CC1 ZINC001161031244 815700318 /nfs/dbraw/zinc/70/03/18/815700318.db2.gz XSVYFGCULOKSSZ-MFKMUULPSA-N 2 2 282.413 -0.537 20 0 CBADLP COC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@@H]([N@H+](C)C(C)C)C1 ZINC001161049682 815703148 /nfs/dbraw/zinc/70/31/48/815703148.db2.gz HKIJYYLGZFJUEM-MNOVXSKESA-N 2 2 271.361 -0.182 20 0 CBADLP COC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@@H]([N@@H+](C)C(C)C)C1 ZINC001161049682 815703156 /nfs/dbraw/zinc/70/31/56/815703156.db2.gz HKIJYYLGZFJUEM-MNOVXSKESA-N 2 2 271.361 -0.182 20 0 CBADLP C[N@@H+]1CCC[C@H]2CN(C(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)C[C@H]21 ZINC001161081087 815708814 /nfs/dbraw/zinc/70/88/14/815708814.db2.gz DOKHGLARICGYSR-WHOHXGKFSA-N 3 2 252.362 -0.772 20 0 CBADLP C[N@H+]1CCC[C@H]2CN(C(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)C[C@H]21 ZINC001161081087 815708821 /nfs/dbraw/zinc/70/88/21/815708821.db2.gz DOKHGLARICGYSR-WHOHXGKFSA-N 3 2 252.362 -0.772 20 0 CBADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]([NH3+])Cc3c[nH]cn3)C[C@@H]21 ZINC001161081355 815709425 /nfs/dbraw/zinc/70/94/25/815709425.db2.gz ITJSUPIDGDNUIN-WXHSDQCUSA-N 2 2 277.372 -0.168 20 0 CBADLP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H]([NH3+])Cc3c[nH]cn3)C[C@@H]21 ZINC001161081355 815709427 /nfs/dbraw/zinc/70/94/27/815709427.db2.gz ITJSUPIDGDNUIN-WXHSDQCUSA-N 2 2 277.372 -0.168 20 0 CBADLP CCOC(=O)[C@@H]1COCCN1C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001161093692 815714398 /nfs/dbraw/zinc/71/43/98/815714398.db2.gz VKQGTWRZIOMGKB-QWRGUYRKSA-N 2 2 296.327 -0.930 20 0 CBADLP CC(=O)N1CCC[C@@H](N(C)C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)C1 ZINC001161129011 815716948 /nfs/dbraw/zinc/71/69/48/815716948.db2.gz CXYGCMSEFORART-RFQIPJPRSA-N 2 2 294.399 -0.594 20 0 CBADLP CCN(CCC(=O)OC)C(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001161130272 815717348 /nfs/dbraw/zinc/71/73/48/815717348.db2.gz HDHKWQFVESTJLO-GXFFZTMASA-N 2 2 269.345 -0.651 20 0 CBADLP CC(=O)N1CCC[C@H](N(C)C(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)C1 ZINC001161130690 815718488 /nfs/dbraw/zinc/71/84/88/815718488.db2.gz NJYZGMUUDAVNQA-VNHYZAJKSA-N 2 2 294.399 -0.593 20 0 CBADLP CCN(C(=O)[C@H](CC(C)C)NC(=O)C[NH3+])C1C[NH+](C)C1 ZINC001161137968 815719031 /nfs/dbraw/zinc/71/90/31/815719031.db2.gz JDBQTZDYALWSHE-LBPRGKRZSA-N 2 2 284.404 -0.362 20 0 CBADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@@H]2CC[NH2+]C[C@@H]2F)C1 ZINC001161138948 815720082 /nfs/dbraw/zinc/72/00/82/815720082.db2.gz HTABPJIHQICXPC-PTRXPTGYSA-N 2 2 273.308 -0.963 20 0 CBADLP C[NH2+][C@@H](CC(C)C)C(=O)N1CC[C@]([NH3+])(C(=O)OC)C1 ZINC001161138388 815720156 /nfs/dbraw/zinc/72/01/56/815720156.db2.gz TZLLQMJIQAMGAC-GXFFZTMASA-N 2 2 271.361 -0.277 20 0 CBADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)C2CC3(C[NH2+]C3)C2)C1 ZINC001161138376 815720475 /nfs/dbraw/zinc/72/04/75/815720475.db2.gz SYOYAGVHNPQBAY-CYBMUJFWSA-N 2 2 267.329 -0.911 20 0 CBADLP C[NH2+][C@@H](CC(C)C)C(=O)N1CC[C@@]([NH3+])(C(=O)OC)C1 ZINC001161138387 815720539 /nfs/dbraw/zinc/72/05/39/815720539.db2.gz TZLLQMJIQAMGAC-GWCFXTLKSA-N 2 2 271.361 -0.277 20 0 CBADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@H]2CCC[NH2+][C@H]2C)C1 ZINC001161138320 815720647 /nfs/dbraw/zinc/72/06/47/815720647.db2.gz RTAMPNYBOHTIQB-KWBADKCTSA-N 2 2 269.345 -0.523 20 0 CBADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)[C@@H]([NH3+])COC(C)(C)C)C1 ZINC001161139026 815720908 /nfs/dbraw/zinc/72/09/08/815720908.db2.gz JJEQNOMSMGDXTD-TVQRCGJNSA-N 2 2 287.360 -0.768 20 0 CBADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC001161138153 815720932 /nfs/dbraw/zinc/72/09/32/815720932.db2.gz ODXLEMHBBVMNFK-GXFFZTMASA-N 2 2 269.345 -0.521 20 0 CBADLP CCC[N@H+]1C[C@H]2CN(C(=O)C[C@H]([NH3+])C(=O)OC)C[C@H]2C1 ZINC001161176613 815726211 /nfs/dbraw/zinc/72/62/11/815726211.db2.gz WFOUNPBHUKCGKV-TUAOUCFPSA-N 2 2 283.372 -0.323 20 0 CBADLP CCC[N@@H+]1C[C@H]2CN(C(=O)C[C@H]([NH3+])C(=O)OC)C[C@H]2C1 ZINC001161176613 815726215 /nfs/dbraw/zinc/72/62/15/815726215.db2.gz WFOUNPBHUKCGKV-TUAOUCFPSA-N 2 2 283.372 -0.323 20 0 CBADLP CN(C(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161221372 815728705 /nfs/dbraw/zinc/72/87/05/815728705.db2.gz MLCSZBCSJWFRHH-RFQIPJPRSA-N 3 2 274.368 -0.065 20 0 CBADLP CN(C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)[C@H]1CCC2(C1)OCCO2 ZINC001161218891 815729014 /nfs/dbraw/zinc/72/90/14/815729014.db2.gz LFZMKNNLRUHBHF-ZDEQEGDKSA-N 2 2 295.383 -0.310 20 0 CBADLP C[C@H]1CN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)C[C@H](C)[NH2+]1 ZINC001161229704 815729930 /nfs/dbraw/zinc/72/99/30/815729930.db2.gz RGVVZQVDFWYWIA-ONYIWYLUSA-N 3 2 252.362 -0.583 20 0 CBADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H](n2ccnn2)C1 ZINC001161235703 815731493 /nfs/dbraw/zinc/73/14/93/815731493.db2.gz WHIHQPYUMVXPTQ-RYUDHWBXSA-N 2 2 289.343 -0.265 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)[C@@H](C)CO1 ZINC001161235705 815731947 /nfs/dbraw/zinc/73/19/47/815731947.db2.gz WJZGDIDLUJIASR-KSLZLVKMSA-N 2 2 253.346 -0.156 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)[C@@H](C)CO1 ZINC001161235081 815732035 /nfs/dbraw/zinc/73/20/35/815732035.db2.gz NBJGNUAHVMZJDA-UMNHJUIQSA-N 2 2 266.345 -0.074 20 0 CBADLP COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)[C@@]1(C)CC[NH2+]C1 ZINC001161236282 815732781 /nfs/dbraw/zinc/73/27/81/815732781.db2.gz CJYACRCJOZYHAI-GWCFXTLKSA-N 2 2 269.345 -0.698 20 0 CBADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@]1(C)CC[NH2+]C1 ZINC001161236282 815732788 /nfs/dbraw/zinc/73/27/88/815732788.db2.gz CJYACRCJOZYHAI-GWCFXTLKSA-N 2 2 269.345 -0.698 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCC(N3CCCOC3=O)CC2)C1 ZINC001161264400 815735249 /nfs/dbraw/zinc/73/52/49/815735249.db2.gz MJXQXIBCFHAKJX-PWSUYJOCSA-N 2 2 296.371 -0.491 20 0 CBADLP COc1cc(N2CCN(C(=O)[C@@H](N)C[NH3+])CC2)cc[nH+]1 ZINC001161306716 815737963 /nfs/dbraw/zinc/73/79/63/815737963.db2.gz XBNCSCAPGUBCOB-NSHDSACASA-N 2 2 279.344 -0.975 20 0 CBADLP [NH3+]C1(C(=O)N2CCC3(CCC(=O)N3)CC2)CC[NH2+]CC1 ZINC001161297245 815738496 /nfs/dbraw/zinc/73/84/96/815738496.db2.gz URDYYVFCHUTSLV-UHFFFAOYSA-N 2 2 280.372 -0.662 20 0 CBADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCCC[NH2+]CC(N)=O)C2 ZINC001161324413 815739493 /nfs/dbraw/zinc/73/94/93/815739493.db2.gz UQXUQRRVOBQEQG-SNVBAGLBSA-N 2 2 293.371 -0.596 20 0 CBADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)NCCC[NH2+]CC(N)=O)CC2 ZINC001161324413 815739496 /nfs/dbraw/zinc/73/94/96/815739496.db2.gz UQXUQRRVOBQEQG-SNVBAGLBSA-N 2 2 293.371 -0.596 20 0 CBADLP C[C@@H](O)C[NH2+]CCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001161310303 815739758 /nfs/dbraw/zinc/73/97/58/815739758.db2.gz TURISUDAXYXYAM-VXGBXAGGSA-N 2 2 280.372 -0.078 20 0 CBADLP C[C@@H]([NH2+]CCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)C(N)=O ZINC001161316673 815739912 /nfs/dbraw/zinc/73/99/12/815739912.db2.gz XZCFYIBONHGDBT-GHMZBOCLSA-N 2 2 293.371 -0.585 20 0 CBADLP NC(=O)C[NH2+]CCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001161315318 815740001 /nfs/dbraw/zinc/74/00/01/815740001.db2.gz PNZAUPCCGRYWBW-JTQLQIEISA-N 2 2 279.344 -0.973 20 0 CBADLP CCN(C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)[C@@H]1CCC[NH2+]C1 ZINC001161329186 815740047 /nfs/dbraw/zinc/74/00/47/815740047.db2.gz WHCTXJHKBMLQBN-NEPJUHHUSA-N 3 2 265.361 -0.120 20 0 CBADLP C[C@@H](O)C[NH2+]CCCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001161310298 815740094 /nfs/dbraw/zinc/74/00/94/815740094.db2.gz TURISUDAXYXYAM-NEPJUHHUSA-N 2 2 280.372 -0.078 20 0 CBADLP CC(C)N(C(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2)[C@H]1CC[NH2+]C1 ZINC001161350670 815745482 /nfs/dbraw/zinc/74/54/82/815745482.db2.gz AZEODHMWLPQJCJ-SGMGOOAPSA-N 3 2 266.389 -0.463 20 0 CBADLP Cc1c[nH+]ccc1O[C@@H]1CCN(C(=O)CNCC[NH3+])C1 ZINC001161386948 815748784 /nfs/dbraw/zinc/74/87/84/815748784.db2.gz OASXFWWBFLQPPY-GFCCVEGCSA-N 2 2 278.356 -0.082 20 0 CBADLP [NH3+][C@@H](CC(F)F)C(=O)N1CC[C@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161377207 815749007 /nfs/dbraw/zinc/74/90/07/815749007.db2.gz GBNLBKYUGOBJEH-QWRGUYRKSA-N 3 2 290.358 -0.007 20 0 CBADLP Cc1c[nH+]ccc1O[C@@H]1CCN(C(=O)[C@@H]2C[NH2+]CCN2)C1 ZINC001161386195 815749041 /nfs/dbraw/zinc/74/90/41/815749041.db2.gz GUCCBTWRWRXYBN-OLZOCXBDSA-N 2 2 290.367 -0.069 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001161412013 815751312 /nfs/dbraw/zinc/75/13/12/815751312.db2.gz FCMVHQFADSIXLG-SQNXGDPESA-N 3 2 277.372 -0.514 20 0 CBADLP COC(=O)[C@@H]([NH3+])CC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001161412486 815751384 /nfs/dbraw/zinc/75/13/84/815751384.db2.gz KQYGYEPCMDVDDP-JLIMGVALSA-N 2 2 255.318 -0.928 20 0 CBADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC001161412047 815751839 /nfs/dbraw/zinc/75/18/39/815751839.db2.gz FKLXWOSKLZKZHL-ZDDJMSTPSA-N 3 2 263.345 -0.525 20 0 CBADLP CCCCOC(=O)[C@@H]1CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])C1 ZINC001161460035 815757138 /nfs/dbraw/zinc/75/71/38/815757138.db2.gz GNPOFWQIHBJZSG-WOPDTQHZSA-N 2 2 283.372 -0.275 20 0 CBADLP CCCCOC(=O)[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)C1 ZINC001161459992 815757206 /nfs/dbraw/zinc/75/72/06/815757206.db2.gz FWUSCAGPRRKQNN-UTUOFQBUSA-N 2 2 283.372 -0.133 20 0 CBADLP CN1C(=O)CC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)CC[C@@H]21 ZINC001161482850 815759901 /nfs/dbraw/zinc/75/99/01/815759901.db2.gz JNEAOVOWIZSFBS-WYUUTHIRSA-N 2 2 280.372 -0.855 20 0 CBADLP C[C@]1(C[NH3+])CCCN(C(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)C1 ZINC001161490337 815761140 /nfs/dbraw/zinc/76/11/40/815761140.db2.gz YUBQFDLBWQTMDC-YUTCNCBUSA-N 3 2 266.389 -0.475 20 0 CBADLP C[C@@]1(C(=O)N2C[C@@H]([NH3+])C3(COC3)C2)CC(F)(F)C[NH2+]1 ZINC001161510998 815764997 /nfs/dbraw/zinc/76/49/97/815764997.db2.gz UQQZIULLRHYNKS-SCZZXKLOSA-N 2 2 275.299 -0.440 20 0 CBADLP Cc1nc2c(o1)CCN(C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)C2 ZINC001161523543 815766408 /nfs/dbraw/zinc/76/64/08/815766408.db2.gz NXZQBVXJZGUSOS-BDAKNGLRSA-N 2 2 250.302 -0.443 20 0 CBADLP C[NH+]1CC2(CN(C(=O)C[NH2+]C3CC[NH2+]CC3)C2)C1 ZINC001161532832 815767946 /nfs/dbraw/zinc/76/79/46/815767946.db2.gz YCAUPYHYIDQTNW-UHFFFAOYSA-N 3 2 252.362 -0.898 20 0 CBADLP CO[C@@H]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)[C@H](C)C1 ZINC001161534040 815768078 /nfs/dbraw/zinc/76/80/78/815768078.db2.gz CMAVVSZTSUUBIO-BYNQJWBRSA-N 2 2 267.373 -0.036 20 0 CBADLP O=C([C@@H]1C[NH2+]Cc2ccnn21)N1CC[NH2+]C2(CC2)C1 ZINC001161543321 815770257 /nfs/dbraw/zinc/77/02/57/815770257.db2.gz OCWDMOODDUOJND-NSHDSACASA-N 2 2 261.329 -0.508 20 0 CBADLP CC[N@@H+]1CC[C@@H]1C(=O)N1C[C@@H](C)[NH+](CCO)C[C@H]1C ZINC001162250452 815810652 /nfs/dbraw/zinc/81/06/52/815810652.db2.gz ZMYGFMBXXQUSDQ-JHJVBQTASA-N 2 2 269.389 -0.006 20 0 CBADLP CC[N@H+]1CC[C@@H]1C(=O)N1C[C@@H](C)[NH+](CCO)C[C@H]1C ZINC001162250452 815810660 /nfs/dbraw/zinc/81/06/60/815810660.db2.gz ZMYGFMBXXQUSDQ-JHJVBQTASA-N 2 2 269.389 -0.006 20 0 CBADLP CC[NH+]1CC[C@@H]1C(=O)N1C[C@@H](C)[N@H+](CCO)C[C@H]1C ZINC001162250452 815810668 /nfs/dbraw/zinc/81/06/68/815810668.db2.gz ZMYGFMBXXQUSDQ-JHJVBQTASA-N 2 2 269.389 -0.006 20 0 CBADLP CC[NH+]1CC[C@@H]1C(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C ZINC001162250452 815810677 /nfs/dbraw/zinc/81/06/77/815810677.db2.gz ZMYGFMBXXQUSDQ-JHJVBQTASA-N 2 2 269.389 -0.006 20 0 CBADLP C[N@@H+]1CCO[C@@H](CNc2nccc(C3C[NH2+]C3)n2)C1 ZINC001162683245 815838254 /nfs/dbraw/zinc/83/82/54/815838254.db2.gz BYHYRNZJSVQVJC-NSHDSACASA-N 2 2 263.345 -0.094 20 0 CBADLP C[N@H+]1CCO[C@@H](CNc2nccc(C3C[NH2+]C3)n2)C1 ZINC001162683245 815838262 /nfs/dbraw/zinc/83/82/62/815838262.db2.gz BYHYRNZJSVQVJC-NSHDSACASA-N 2 2 263.345 -0.094 20 0 CBADLP C[NH2+]Cc1cc(NC[C@@H]2C[N@H+](C)CCO2)ncn1 ZINC001162683091 815839205 /nfs/dbraw/zinc/83/92/05/815839205.db2.gz PBMMWINDLOASGJ-LLVKDONJSA-N 2 2 251.334 -0.062 20 0 CBADLP C[NH2+]Cc1cc(NC[C@@H]2C[N@@H+](C)CCO2)ncn1 ZINC001162683091 815839212 /nfs/dbraw/zinc/83/92/12/815839212.db2.gz PBMMWINDLOASGJ-LLVKDONJSA-N 2 2 251.334 -0.062 20 0 CBADLP CNC(=O)C[NH2+]CCCNC(=O)CCc1[nH+]ccn1C ZINC001163044121 815855362 /nfs/dbraw/zinc/85/53/62/815855362.db2.gz KCSQKZOYSKEUDH-UHFFFAOYSA-N 2 2 281.360 -0.805 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)NCCC[NH2+][C@H]1CCNC1=O ZINC001163044270 815856223 /nfs/dbraw/zinc/85/62/23/815856223.db2.gz RRUCYUMCFPAIGH-NSHDSACASA-N 2 2 293.371 -0.663 20 0 CBADLP CC[C@@H]([NH2+]CCCNC(=O)CCc1[nH+]ccn1C)C(N)=O ZINC001163050766 815856286 /nfs/dbraw/zinc/85/62/86/815856286.db2.gz MQOAWQHPLRAYQX-LLVKDONJSA-N 2 2 295.387 -0.288 20 0 CBADLP O=C(NCCC[NH2+]CCO)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC001163283711 815876700 /nfs/dbraw/zinc/87/67/00/815876700.db2.gz SLQFICSMPLQTAR-AWEZNQCLSA-N 2 2 299.415 -0.425 20 0 CBADLP O=C(NCCC[NH2+]CCO)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC001163283711 815876707 /nfs/dbraw/zinc/87/67/07/815876707.db2.gz SLQFICSMPLQTAR-AWEZNQCLSA-N 2 2 299.415 -0.425 20 0 CBADLP Cn1cnnc1C[NH2+]CCCNC(=O)CCn1cc[nH+]c1 ZINC001163589165 815890249 /nfs/dbraw/zinc/89/02/49/815890249.db2.gz WFZKQSOQYVUMJS-UHFFFAOYSA-N 2 2 291.359 -0.302 20 0 CBADLP O=C(CCn1cc[nH+]c1)NCCC[NH2+]CCn1cncn1 ZINC001163593343 815890560 /nfs/dbraw/zinc/89/05/60/815890560.db2.gz HUSWJJDHXOUWCE-UHFFFAOYSA-N 2 2 291.359 -0.339 20 0 CBADLP C[C@@H]([NH2+]CCCNC(=O)CCn1cc[nH+]c1)C(=O)N(C)C ZINC001163593616 815890687 /nfs/dbraw/zinc/89/06/87/815890687.db2.gz NOJJYFZJCZHVMF-GFCCVEGCSA-N 2 2 295.387 -0.154 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)NCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001292586554 816469795 /nfs/dbraw/zinc/46/97/95/816469795.db2.gz LZVFUMFMXIAGGT-SNVBAGLBSA-N 2 2 279.344 -0.721 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)NCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001292586554 816469799 /nfs/dbraw/zinc/46/97/99/816469799.db2.gz LZVFUMFMXIAGGT-SNVBAGLBSA-N 2 2 279.344 -0.721 20 0 CBADLP C[C@H](C[NH2+]Cc1cn(C)nn1)N1CC[NH+](C)CC1 ZINC001308256451 816822326 /nfs/dbraw/zinc/82/23/26/816822326.db2.gz NKGSLPXJEIRNJT-LLVKDONJSA-N 2 2 252.366 -0.459 20 0 CBADLP CCNC(=O)C[NH2+][C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001317283542 816957211 /nfs/dbraw/zinc/95/72/11/816957211.db2.gz YLIFANDWBRRWBY-SECBINFHSA-N 2 2 267.333 -0.817 20 0 CBADLP COCC[NH2+][C@@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001317282086 816957884 /nfs/dbraw/zinc/95/78/84/816957884.db2.gz GULQJMUURVPZFD-JTQLQIEISA-N 2 2 254.334 -0.297 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](C[NH2+]CCO)C1 ZINC001317344882 816968028 /nfs/dbraw/zinc/96/80/28/816968028.db2.gz ZEISBEWCZRSRPI-LLVKDONJSA-N 2 2 266.345 -0.309 20 0 CBADLP O=C(CCn1cc[nH+]c1)NCC[N@@H+](CCO)C1CC1 ZINC001317555645 817009366 /nfs/dbraw/zinc/00/93/66/817009366.db2.gz ZSCCLFFEUUNTAR-UHFFFAOYSA-N 2 2 266.345 -0.154 20 0 CBADLP O=C(CCn1cc[nH+]c1)NCC[N@H+](CCO)C1CC1 ZINC001317555645 817009374 /nfs/dbraw/zinc/00/93/74/817009374.db2.gz ZSCCLFFEUUNTAR-UHFFFAOYSA-N 2 2 266.345 -0.154 20 0 CBADLP CN(C)C(=O)C[NH2+]CCN(C)C(=O)CCn1cc[nH+]c1 ZINC001317615699 817029190 /nfs/dbraw/zinc/02/91/90/817029190.db2.gz AQZYAEBSMLVQJS-UHFFFAOYSA-N 2 2 281.360 -0.591 20 0 CBADLP COCC[NH2+]CCN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001317658330 817039883 /nfs/dbraw/zinc/03/98/83/817039883.db2.gz TWDLGCHVWMMDPH-UHFFFAOYSA-N 2 2 254.334 -0.045 20 0 CBADLP CN(CC[NH2+]Cc1cnon1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001317662207 817042119 /nfs/dbraw/zinc/04/21/19/817042119.db2.gz WJRFWRDDOPYKMK-JTQLQIEISA-N 2 2 267.333 -0.431 20 0 CBADLP CN(CC[NH2+]Cc1cnon1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001317662207 817042129 /nfs/dbraw/zinc/04/21/29/817042129.db2.gz WJRFWRDDOPYKMK-JTQLQIEISA-N 2 2 267.333 -0.431 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CC(N)=O)C2)CC1 ZINC001318858745 817144253 /nfs/dbraw/zinc/14/42/53/817144253.db2.gz ZBVRXOMCLBVHQT-SNVBAGLBSA-N 2 2 268.361 -0.854 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CC(N)=O)C2)CC1 ZINC001318858745 817144260 /nfs/dbraw/zinc/14/42/60/817144260.db2.gz ZBVRXOMCLBVHQT-SNVBAGLBSA-N 2 2 268.361 -0.854 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@@H]1C[NH2+]CCO ZINC001319112916 817167033 /nfs/dbraw/zinc/16/70/33/817167033.db2.gz DUBVFAUDTNQTDH-LLVKDONJSA-N 2 2 252.318 -0.475 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001319538633 817215581 /nfs/dbraw/zinc/21/55/81/817215581.db2.gz VDLPIJCLSUNIRZ-SECBINFHSA-N 2 2 267.333 -0.865 20 0 CBADLP C[C@@H](C(=O)NC[C@@](C)(O)C[NH+](C)C)n1cc[nH+]c1 ZINC001319534215 817216344 /nfs/dbraw/zinc/21/63/44/817216344.db2.gz AAMPYNYKZBPOAO-CMPLNLGQSA-N 2 2 254.334 -0.127 20 0 CBADLP CC[C@@H](C(N)=O)[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC001319606173 817223743 /nfs/dbraw/zinc/22/37/43/817223743.db2.gz HAWNIDMTJRVTMP-OLZOCXBDSA-N 2 2 268.405 -0.038 20 0 CBADLP CC[C@@H](C(N)=O)[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC001319606173 817223739 /nfs/dbraw/zinc/22/37/39/817223739.db2.gz HAWNIDMTJRVTMP-OLZOCXBDSA-N 2 2 268.405 -0.038 20 0 CBADLP O=C(CCn1cc[nH+]c1)NC[C@H](O)C[NH2+]CC1CC1 ZINC001320262116 817306931 /nfs/dbraw/zinc/30/69/31/817306931.db2.gz VQYPZNJZQHXOJY-GFCCVEGCSA-N 2 2 266.345 -0.250 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H](O)C[NH2+]CC1CC1 ZINC001320283844 817313556 /nfs/dbraw/zinc/31/35/56/817313556.db2.gz ZGPRXWBEVHCZDA-LLVKDONJSA-N 2 2 252.318 -0.571 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC[C@@H](O)C[NH2+]CCC1CC1 ZINC001320295524 817317574 /nfs/dbraw/zinc/31/75/74/817317574.db2.gz KSBUHNVGVVJDAN-ZDUSSCGKSA-N 2 2 280.372 -0.171 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)NC[C@H](O)C[NH2+]CCF ZINC001320304038 817319633 /nfs/dbraw/zinc/31/96/33/817319633.db2.gz OFJRLTLODYPIKJ-LLVKDONJSA-N 2 2 272.324 -0.611 20 0 CBADLP [NH3+]CCS(=O)(=O)N1CC[NH2+]C[C@H]1C(F)(F)F ZINC001239171647 825594606 /nfs/dbraw/zinc/59/46/06/825594606.db2.gz ZLHKGCZAYQTSEA-LURJTMIESA-N 2 2 261.269 -0.889 20 0 CBADLP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]CC(=O)N1CCCC1 ZINC001253404336 825913049 /nfs/dbraw/zinc/91/30/49/825913049.db2.gz SUQWTRHCSLXNEN-NSHDSACASA-N 2 2 257.378 -0.053 20 0 CBADLP CC[C@@H](C(=O)N(C)C1C[NH+](C[C@H](C)O)C1)[NH+](C)C ZINC001277660096 828201638 /nfs/dbraw/zinc/20/16/38/828201638.db2.gz NXOCYZREZINWAE-JQWIXIFHSA-N 2 2 257.378 -0.150 20 0 CBADLP NC(=O)C1CCN(c2cc(N3CC[C@@H]([NH3+])C3)nc[nH+]2)CC1 ZINC001164278047 819895484 /nfs/dbraw/zinc/89/54/84/819895484.db2.gz DYOSXIJDGPWJDY-LLVKDONJSA-N 2 2 290.371 -0.284 20 0 CBADLP C[C@H]([NH2+]CCCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21)C(N)=O ZINC001166403477 819999474 /nfs/dbraw/zinc/99/94/74/819999474.db2.gz YWYRZCDKRIUKLC-UWVGGRQHSA-N 2 2 293.371 -0.201 20 0 CBADLP NC(=O)C[NH2+]CCCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001166408174 819999596 /nfs/dbraw/zinc/99/95/96/819999596.db2.gz KRHCEULKMPKRKD-VIFPVBQESA-N 2 2 279.344 -0.589 20 0 CBADLP [NH3+]C[C@H]1CN(c2ccc(Cn3cncn3)c[nH+]2)CCO1 ZINC001166939464 820049958 /nfs/dbraw/zinc/04/99/58/820049958.db2.gz GEQPIEMDEJMTFC-LBPRGKRZSA-N 2 2 274.328 -0.115 20 0 CBADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC[NH2+]CCO ZINC001166968168 820054632 /nfs/dbraw/zinc/05/46/32/820054632.db2.gz NTFLAHLPDYSJAR-GHMZBOCLSA-N 2 2 266.345 -0.388 20 0 CBADLP COCCOCC[NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001167346622 820080758 /nfs/dbraw/zinc/08/07/58/820080758.db2.gz QULZZCAPVBFQQV-UHFFFAOYSA-N 2 2 284.360 -0.289 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NCCC[NH2+]CCn1cccn1 ZINC001167345959 820080935 /nfs/dbraw/zinc/08/09/35/820080935.db2.gz DZLRSLQXVGNXOP-UHFFFAOYSA-N 2 2 276.344 -0.055 20 0 CBADLP C[C@@H]([NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1)C(=O)N(C)C ZINC001167349542 820082661 /nfs/dbraw/zinc/08/26/61/820082661.db2.gz AFBCTEJQTGLAHG-SNVBAGLBSA-N 2 2 281.360 -0.475 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NCCC[NH2+][C@@H]1CCCNC1=O ZINC001167355402 820084906 /nfs/dbraw/zinc/08/49/06/820084906.db2.gz FZZJSPLQSZWIBV-LLVKDONJSA-N 2 2 279.344 -0.673 20 0 CBADLP Cn1cncc1C[NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001167355372 820085187 /nfs/dbraw/zinc/08/51/87/820085187.db2.gz DSAAOKYRLCVHBF-UHFFFAOYSA-N 2 2 276.344 -0.018 20 0 CBADLP Cn1cc(C[NH2+]CCCNC(=O)Cc2c[nH]c[nH+]2)cn1 ZINC001167355645 820085730 /nfs/dbraw/zinc/08/57/30/820085730.db2.gz UKFUFKFPRBLTKJ-UHFFFAOYSA-N 2 2 276.344 -0.018 20 0 CBADLP C[C@H](CC(=O)NCCC[NH2+]CC(N)=O)n1cc[nH+]c1 ZINC001167427916 820090003 /nfs/dbraw/zinc/09/00/03/820090003.db2.gz CVTMMYSPVOEMNW-SNVBAGLBSA-N 2 2 267.333 -0.585 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NCCC1(C[NH2+]CC(N)=O)CC1 ZINC001167736891 820112870 /nfs/dbraw/zinc/11/28/70/820112870.db2.gz KVNJQTFEOJJTPU-UHFFFAOYSA-N 2 2 293.371 -0.676 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NCCC1(C[NH2+]CCO)CC1 ZINC001167742702 820113785 /nfs/dbraw/zinc/11/37/85/820113785.db2.gz UITUBQIECFFVCJ-UHFFFAOYSA-N 2 2 280.372 -0.169 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001167976826 820136658 /nfs/dbraw/zinc/13/66/58/820136658.db2.gz FMWGKDHUNRITHN-GHMZBOCLSA-N 2 2 295.387 -0.181 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001167976826 820136659 /nfs/dbraw/zinc/13/66/59/820136659.db2.gz FMWGKDHUNRITHN-GHMZBOCLSA-N 2 2 295.387 -0.181 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCC[NH2+]CCO ZINC001167976762 820136996 /nfs/dbraw/zinc/13/69/96/820136996.db2.gz DXRJBEZKNOPVHH-SNVBAGLBSA-N 2 2 254.334 -0.324 20 0 CBADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCC[NH2+]CCO ZINC001167976762 820137001 /nfs/dbraw/zinc/13/70/01/820137001.db2.gz DXRJBEZKNOPVHH-SNVBAGLBSA-N 2 2 254.334 -0.324 20 0 CBADLP CCNC(=O)C[NH2+]CCCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001167979544 820138959 /nfs/dbraw/zinc/13/89/59/820138959.db2.gz UAVJIXFGAADZNW-LLVKDONJSA-N 2 2 295.387 -0.180 20 0 CBADLP CCNC(=O)C[NH2+]CCCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001167979544 820138965 /nfs/dbraw/zinc/13/89/65/820138965.db2.gz UAVJIXFGAADZNW-LLVKDONJSA-N 2 2 295.387 -0.180 20 0 CBADLP C[NH+]1CCN(C(=[NH2+])Nc2cnc3ncnn3c2)CC1 ZINC001168736890 820169163 /nfs/dbraw/zinc/16/91/63/820169163.db2.gz MFSHZUDIKBMPLD-UHFFFAOYSA-N 2 2 260.305 -0.282 20 0 CBADLP C[NH+]1CCN(C(=[NH2+])Nc2ncc(S(C)(=O)=O)cn2)CC1 ZINC001168735534 820170322 /nfs/dbraw/zinc/17/03/22/820170322.db2.gz BLMNLJWSSOUBPN-UHFFFAOYSA-N 2 2 298.372 -0.526 20 0 CBADLP C[NH+]1CCN(C(=[NH2+])Nc2ncnn3cccc23)CC1 ZINC001168740962 820171476 /nfs/dbraw/zinc/17/14/76/820171476.db2.gz SWSILYNLIMFSAB-UHFFFAOYSA-N 2 2 259.317 -0.255 20 0 CBADLP C[NH+]1CCN(C(=[NH2+])Nc2cnc(C(N)=O)cn2)CC1 ZINC001168737172 820171962 /nfs/dbraw/zinc/17/19/62/820171962.db2.gz WZHUHHHABJJJTL-UHFFFAOYSA-N 2 2 263.305 -0.830 20 0 CBADLP [NH3+]Cc1ncn(-c2nc(Cl)nc3c2C[NH2+]C3)n1 ZINC001168750806 820173860 /nfs/dbraw/zinc/17/38/60/820173860.db2.gz ZRKLVOSQKBMQBQ-UHFFFAOYSA-N 2 2 251.681 -0.227 20 0 CBADLP [NH3+]Cc1nc(=O)[nH]n1-c1ccc(O[C@H]2CCC[NH2+]C2)nn1 ZINC001168760358 820178785 /nfs/dbraw/zinc/17/87/85/820178785.db2.gz HUWSSEHBVLDBAR-QMMMGPOBSA-N 2 2 291.315 -0.648 20 0 CBADLP [NH3+]Cc1nc(=O)[n-]n1-c1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001168761797 820180175 /nfs/dbraw/zinc/18/01/75/820180175.db2.gz WFHSEOXGOBQMEY-UHFFFAOYSA-N 2 2 285.311 -0.234 20 0 CBADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ncnc2c1COCC2 ZINC001169071177 820203852 /nfs/dbraw/zinc/20/38/52/820203852.db2.gz GHYOJKPYWROWHZ-SECBINFHSA-N 2 2 275.312 -0.403 20 0 CBADLP CN1CCOc2c1cnnc2-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169070771 820204136 /nfs/dbraw/zinc/20/41/36/820204136.db2.gz ANLMAHIDFNPTQG-SECBINFHSA-N 2 2 290.327 -0.647 20 0 CBADLP CCOc1nc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)ncc1OC ZINC001169071224 820205462 /nfs/dbraw/zinc/20/54/62/820205462.db2.gz IDYWDWQAYCFMMM-SECBINFHSA-N 2 2 293.327 -0.068 20 0 CBADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cnc2ncnn2c1 ZINC001169075154 820205517 /nfs/dbraw/zinc/20/55/17/820205517.db2.gz WDPLMYIQTCZAHG-MRVPVSSYSA-N 2 2 259.273 -0.828 20 0 CBADLP COc1ccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c(C(N)=O)c1 ZINC001169074263 820205529 /nfs/dbraw/zinc/20/55/29/820205529.db2.gz IBPQXSIMTQDSEW-SECBINFHSA-N 2 2 290.323 -0.158 20 0 CBADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccc2c(=O)[nH]cc-2[nH]1 ZINC001169071774 820205623 /nfs/dbraw/zinc/20/56/23/820205623.db2.gz KOEPIFITGDMMEK-MRVPVSSYSA-N 2 2 273.296 -0.627 20 0 CBADLP COC(OC)c1nccnc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169071304 820205649 /nfs/dbraw/zinc/20/56/49/820205649.db2.gz JSTKBTVBZFBROL-SECBINFHSA-N 2 2 293.327 -0.184 20 0 CBADLP COC(=O)Cc1ccnc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001169072972 820205792 /nfs/dbraw/zinc/20/57/92/820205792.db2.gz WLDGCDOKVSNEPN-SECBINFHSA-N 2 2 291.311 -0.760 20 0 CBADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cc2c(nn1)C[NH2+]C2 ZINC001169071333 820205820 /nfs/dbraw/zinc/20/58/20/820205820.db2.gz JZYPVNQSVCBTLD-SECBINFHSA-N 3 2 260.301 -0.872 20 0 CBADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCC[NH+](CCO)CCO)C2 ZINC001169094528 820207552 /nfs/dbraw/zinc/20/75/52/820207552.db2.gz METFKYJRQBPNFX-QDMKHBRRSA-N 3 2 285.432 -0.122 20 0 CBADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCC[NH+](CCO)CCO)C2 ZINC001169094528 820207555 /nfs/dbraw/zinc/20/75/55/820207555.db2.gz METFKYJRQBPNFX-QDMKHBRRSA-N 3 2 285.432 -0.122 20 0 CBADLP C[C@H](NC(=O)[C@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(N)=O ZINC001169124648 820210344 /nfs/dbraw/zinc/21/03/44/820210344.db2.gz RRDICWGXWBWODO-NGDQXYMTSA-N 2 2 282.388 -0.420 20 0 CBADLP C[C@H](NC(=O)[C@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(N)=O ZINC001169124648 820210353 /nfs/dbraw/zinc/21/03/53/820210353.db2.gz RRDICWGXWBWODO-NGDQXYMTSA-N 2 2 282.388 -0.420 20 0 CBADLP CN1CC[C@H]([NH2+]CCCNC(=O)Cc2[nH]cc[nH+]2)C1=O ZINC001169212777 820214288 /nfs/dbraw/zinc/21/42/88/820214288.db2.gz WWKODCTXWKDDAN-JTQLQIEISA-N 2 2 279.344 -0.721 20 0 CBADLP CC(C)CNC(=O)C[NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001169211328 820214437 /nfs/dbraw/zinc/21/44/37/820214437.db2.gz DVVRADIRGWHRHP-UHFFFAOYSA-N 2 2 295.387 -0.180 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NCCC[NH2+]CCOCCO ZINC001169204135 820214735 /nfs/dbraw/zinc/21/47/35/820214735.db2.gz IJSYCSIJNKGULP-UHFFFAOYSA-N 2 2 270.333 -0.943 20 0 CBADLP CC[NH+]1CCC([NH2+][C@@H](C)C(=O)NCC(=O)OC)CC1 ZINC001169239982 820215571 /nfs/dbraw/zinc/21/55/71/820215571.db2.gz AEOOQHMUIDFRSN-JTQLQIEISA-N 2 2 271.361 -0.262 20 0 CBADLP CCOC(=O)[C@@H]1CC[C@H](NC(=[NH2+])N2CC[NH+](C)CC2)CO1 ZINC001169333806 820238637 /nfs/dbraw/zinc/23/86/37/820238637.db2.gz JVDQQOZPLOWSIB-RYUDHWBXSA-N 2 2 298.387 -0.131 20 0 CBADLP CC(=O)N1CC[C@H]([NH2+]C2CC[NH+](CCO)CC2)C1 ZINC001169505277 820250268 /nfs/dbraw/zinc/25/02/68/820250268.db2.gz XKHGUHJNRDNRNJ-ZDUSSCGKSA-N 2 2 255.362 -0.347 20 0 CBADLP CC(=O)N1CC[C@H]([NH2+][C@]2(C[NH3+])CN3CCC2CC3)C1 ZINC001169514122 820251752 /nfs/dbraw/zinc/25/17/52/820251752.db2.gz QOZDZGRCPJMPJG-UONOGXRCSA-N 2 2 266.389 -0.380 20 0 CBADLP CC(=O)N1CC[C@H]([NH2+][C@@]2(C[NH3+])CN3CCC2CC3)C1 ZINC001169514120 820252132 /nfs/dbraw/zinc/25/21/32/820252132.db2.gz QOZDZGRCPJMPJG-KBPBESRZSA-N 2 2 266.389 -0.380 20 0 CBADLP CCN(C)c1cc(N[C@H]2C[NH2+]C[C@@H]2CO)nc[nH+]1 ZINC001170773408 820316015 /nfs/dbraw/zinc/31/60/15/820316015.db2.gz GPAATTIFUYLOOD-ZJUUUORDSA-N 2 2 251.334 -0.075 20 0 CBADLP CCN(C)c1cc(N[C@@H]2C[NH2+]C[C@H]2CO)nc[nH+]1 ZINC001170773407 820317015 /nfs/dbraw/zinc/31/70/15/820317015.db2.gz GPAATTIFUYLOOD-VHSXEESVSA-N 2 2 251.334 -0.075 20 0 CBADLP C[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](C)[C@H](CO)C2)C1 ZINC001171138268 820347861 /nfs/dbraw/zinc/34/78/61/820347861.db2.gz HDZRZBQQDJACGC-NEPJUHHUSA-N 2 2 255.362 -0.537 20 0 CBADLP C[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)[C@H](CO)C2)C1 ZINC001171138268 820347872 /nfs/dbraw/zinc/34/78/72/820347872.db2.gz HDZRZBQQDJACGC-NEPJUHHUSA-N 2 2 255.362 -0.537 20 0 CBADLP C[C@@H]1CC[NH+](CC(=O)N2CC[N@H+](C)[C@H](CO)C2)C1 ZINC001171138268 820347882 /nfs/dbraw/zinc/34/78/82/820347882.db2.gz HDZRZBQQDJACGC-NEPJUHHUSA-N 2 2 255.362 -0.537 20 0 CBADLP C[C@@H]1CC[NH+](CC(=O)N2CC[N@@H+](C)[C@H](CO)C2)C1 ZINC001171138268 820347893 /nfs/dbraw/zinc/34/78/93/820347893.db2.gz HDZRZBQQDJACGC-NEPJUHHUSA-N 2 2 255.362 -0.537 20 0 CBADLP C[C@H]([NH2+]CCCNC(=O)Cc1c[nH+]cn1C)C(=O)N(C)C ZINC001171244475 820353528 /nfs/dbraw/zinc/35/35/28/820353528.db2.gz ONULPDBJEUDSGW-NSHDSACASA-N 2 2 295.387 -0.465 20 0 CBADLP CC(C)NC(=O)C[NH2+]CCCNC(=O)Cc1c[nH+]cn1C ZINC001171238966 820354764 /nfs/dbraw/zinc/35/47/64/820354764.db2.gz VAOMVQAREZSGGB-UHFFFAOYSA-N 2 2 295.387 -0.417 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NCCC[NH2+]Cc1cnnn1C ZINC001171238514 820355316 /nfs/dbraw/zinc/35/53/16/820355316.db2.gz RFHDJWGIIWJISJ-UHFFFAOYSA-N 2 2 291.359 -0.613 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)Cc1c[nH+]cn1C ZINC001171244010 820355681 /nfs/dbraw/zinc/35/56/81/820355681.db2.gz JRLFRAFADHZJGF-SNVBAGLBSA-N 2 2 281.360 -0.807 20 0 CBADLP C[NH+]1CCN(C(=[NH2+])N[C@H]2CCN3C(=O)CC[C@H]3C2)CC1 ZINC001172172006 820387519 /nfs/dbraw/zinc/38/75/19/820387519.db2.gz QBMLITIIZBKTFH-RYUDHWBXSA-N 2 2 279.388 -0.088 20 0 CBADLP CC[N@@H+]1CC[C@@H](NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)OC)C1 ZINC001173351504 820400441 /nfs/dbraw/zinc/40/04/41/820400441.db2.gz BRKGRMZNCFHRMR-MNOVXSKESA-N 3 2 285.392 -0.525 20 0 CBADLP CC[N@H+]1CC[C@@H](NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)OC)C1 ZINC001173351504 820400447 /nfs/dbraw/zinc/40/04/47/820400447.db2.gz BRKGRMZNCFHRMR-MNOVXSKESA-N 3 2 285.392 -0.525 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCCC[NH2+]CCn1cncn1 ZINC001174690999 820415012 /nfs/dbraw/zinc/41/50/12/820415012.db2.gz GKWKBZZCSCOTSW-UHFFFAOYSA-N 2 2 291.359 -0.352 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCCC[NH2+]Cc1cn(C)nn1 ZINC001174682741 820415669 /nfs/dbraw/zinc/41/56/69/820415669.db2.gz LWLRFHSINVVCRR-UHFFFAOYSA-N 2 2 291.359 -0.315 20 0 CBADLP C[C@@H](O)C[NH2+]CCCNC(=O)CCc1c[nH+]cn1C ZINC001175002142 820420437 /nfs/dbraw/zinc/42/04/37/820420437.db2.gz CGHDSYYNPVCNHA-LLVKDONJSA-N 2 2 268.361 -0.171 20 0 CBADLP C[C@@H](O)C[NH2+]CCCNC(=O)[C@H](C1CC1)[NH+]1CCOCC1 ZINC001176675717 820456419 /nfs/dbraw/zinc/45/64/19/820456419.db2.gz LZXBVYOEDYVAQN-OCCSQVGLSA-N 2 2 299.415 -0.426 20 0 CBADLP C[NH+](C)[C@H](C(=O)NCCC[NH2+]CC(N)=O)c1cccnc1 ZINC001177064453 820491322 /nfs/dbraw/zinc/49/13/22/820491322.db2.gz QMGAARGATYPSEK-ZDUSSCGKSA-N 2 2 293.371 -0.735 20 0 CBADLP NC(=O)Cn1cc(C[NH2+]CCCn2cc[nH+]c2)nn1 ZINC001177104036 820493202 /nfs/dbraw/zinc/49/32/02/820493202.db2.gz HEHRLSDEAIQBGN-UHFFFAOYSA-N 2 2 263.305 -0.860 20 0 CBADLP CC[N@@H+]1CCO[C@H]2CCN(C(=O)COCC[NH+](C)C)C[C@H]21 ZINC001177138014 820493934 /nfs/dbraw/zinc/49/39/34/820493934.db2.gz HTWTWINPVHEFIN-KGLIPLIRSA-N 2 2 299.415 -0.114 20 0 CBADLP CC[N@H+]1CCO[C@H]2CCN(C(=O)COCC[NH+](C)C)C[C@H]21 ZINC001177138014 820493941 /nfs/dbraw/zinc/49/39/41/820493941.db2.gz HTWTWINPVHEFIN-KGLIPLIRSA-N 2 2 299.415 -0.114 20 0 CBADLP CCn1ncnc1C[NH2+]CCCNC(=O)Cn1cc[nH+]c1 ZINC001177400039 820510657 /nfs/dbraw/zinc/51/06/57/820510657.db2.gz BNFHECKRLYBWGB-UHFFFAOYSA-N 2 2 291.359 -0.209 20 0 CBADLP Cn1cc(C[NH2+]CCCNC(=O)Cn2cc[nH+]c2)nn1 ZINC001177405014 820511437 /nfs/dbraw/zinc/51/14/37/820511437.db2.gz JKBQVUCWINBJKL-UHFFFAOYSA-N 2 2 277.332 -0.692 20 0 CBADLP Cc1nnc(C[NH2+]CCCNC(=O)Cn2cc[nH+]c2)[nH]1 ZINC001177405555 820513847 /nfs/dbraw/zinc/51/38/47/820513847.db2.gz OOXMAYLMIMIYLA-UHFFFAOYSA-N 2 2 277.332 -0.394 20 0 CBADLP O=C(Cn1cc[nH+]c1)NCCC[NH2+]CCn1cncn1 ZINC001177411368 820513924 /nfs/dbraw/zinc/51/39/24/820513924.db2.gz LXNNVACLQYZKBN-UHFFFAOYSA-N 2 2 277.332 -0.729 20 0 CBADLP C[NH+]1CCN(CC(=O)NC2CC[NH+](CCF)CC2)CC1 ZINC001178953132 820610708 /nfs/dbraw/zinc/61/07/08/820610708.db2.gz FAQXTVDMBXTDEZ-UHFFFAOYSA-N 2 2 286.395 -0.216 20 0 CBADLP CCNC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H]1C ZINC001179608620 820636831 /nfs/dbraw/zinc/63/68/31/820636831.db2.gz SLPMSOQOROFIBE-JQWIXIFHSA-N 2 2 293.371 -0.333 20 0 CBADLP CNC(=O)C[NH2+]CCCCCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001179689994 820637951 /nfs/dbraw/zinc/63/79/51/820637951.db2.gz VIRXBQPWPLSLDD-UHFFFAOYSA-N 2 2 295.387 -0.036 20 0 CBADLP C[C@@H](C(=O)N[C@@H](CO)Cc1c[nH+]c[nH]1)[NH+]1CCCC1 ZINC001180583293 820694936 /nfs/dbraw/zinc/69/49/36/820694936.db2.gz XTOPMTNPQRLGFZ-CMPLNLGQSA-N 2 2 266.345 -0.086 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](CCC(C)(C)O)CC2)C1 ZINC001180757851 820715823 /nfs/dbraw/zinc/71/58/23/820715823.db2.gz AYEGVLALKWUMPW-ZDUSSCGKSA-N 2 2 299.415 -0.378 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N2CC[NH+](CCC(C)(C)O)CC2)C1 ZINC001180757851 820715828 /nfs/dbraw/zinc/71/58/28/820715828.db2.gz AYEGVLALKWUMPW-ZDUSSCGKSA-N 2 2 299.415 -0.378 20 0 CBADLP C[NH+](C)C[C@@H]1COCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001180759238 820717675 /nfs/dbraw/zinc/71/76/75/820717675.db2.gz MKDIGRPMXKANFN-NEPJUHHUSA-N 2 2 271.361 -0.894 20 0 CBADLP C[NH+](C)C[C@@H]1COCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001180759238 820717682 /nfs/dbraw/zinc/71/76/82/820717682.db2.gz MKDIGRPMXKANFN-NEPJUHHUSA-N 2 2 271.361 -0.894 20 0 CBADLP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001180762596 820722086 /nfs/dbraw/zinc/72/20/86/820722086.db2.gz NWONEHFELHGTKW-LLVKDONJSA-N 3 2 285.392 -0.619 20 0 CBADLP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001180762596 820722090 /nfs/dbraw/zinc/72/20/90/820722090.db2.gz NWONEHFELHGTKW-LLVKDONJSA-N 3 2 285.392 -0.619 20 0 CBADLP C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001182010296 820848797 /nfs/dbraw/zinc/84/87/97/820848797.db2.gz KXMHECPASZLNIR-QWHCGFSZSA-N 2 2 267.373 -0.225 20 0 CBADLP C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001182010296 820848807 /nfs/dbraw/zinc/84/88/07/820848807.db2.gz KXMHECPASZLNIR-QWHCGFSZSA-N 2 2 267.373 -0.225 20 0 CBADLP C[NH+]1CCC(O)(C(=O)NCC2([NH+]3CCCC3)COC2)CC1 ZINC001182031643 820852634 /nfs/dbraw/zinc/85/26/34/820852634.db2.gz CJTSHFMBGUFYRH-UHFFFAOYSA-N 2 2 297.399 -0.576 20 0 CBADLP Cn1c[nH+]c(CCNC(=O)C2(O)CC[NH+](C)CC2)c1 ZINC001182034376 820856450 /nfs/dbraw/zinc/85/64/50/820856450.db2.gz VBJIOPKUVSHZLW-UHFFFAOYSA-N 2 2 266.345 -0.465 20 0 CBADLP CC(C)[NH+]1CC(NC(=O)C2(O)CC[NH+](C)CC2)C1 ZINC001182032486 820856643 /nfs/dbraw/zinc/85/66/43/820856643.db2.gz JISACYMURWGRTM-UHFFFAOYSA-N 2 2 255.362 -0.348 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001182221010 820893291 /nfs/dbraw/zinc/89/32/91/820893291.db2.gz UTOZQVXSCRMJEW-WDEREUQCSA-N 2 2 293.371 -0.333 20 0 CBADLP CC(C)[N@@H+]1CC[C@H]1C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC001182861778 820951294 /nfs/dbraw/zinc/95/12/94/820951294.db2.gz JMAILLYPSGPPRM-NEPJUHHUSA-N 2 2 255.362 -0.084 20 0 CBADLP CC(C)[N@H+]1CC[C@H]1C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC001182861778 820951306 /nfs/dbraw/zinc/95/13/06/820951306.db2.gz JMAILLYPSGPPRM-NEPJUHHUSA-N 2 2 255.362 -0.084 20 0 CBADLP CC(C)[NH+]1CC[C@H]1C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC001182861778 820951310 /nfs/dbraw/zinc/95/13/10/820951310.db2.gz JMAILLYPSGPPRM-NEPJUHHUSA-N 2 2 255.362 -0.084 20 0 CBADLP CC(C)[NH+]1CC[C@H]1C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC001182861778 820951319 /nfs/dbraw/zinc/95/13/19/820951319.db2.gz JMAILLYPSGPPRM-NEPJUHHUSA-N 2 2 255.362 -0.084 20 0 CBADLP CC(C)[N@@H+]1CC[C@H]1C(=O)NCC[NH+]1CC2(COC2)C1 ZINC001182868810 820952011 /nfs/dbraw/zinc/95/20/11/820952011.db2.gz FIUVHUCHFZEGFS-LBPRGKRZSA-N 2 2 267.373 -0.083 20 0 CBADLP CC(C)[N@H+]1CC[C@H]1C(=O)NCC[NH+]1CC2(COC2)C1 ZINC001182868810 820952016 /nfs/dbraw/zinc/95/20/16/820952016.db2.gz FIUVHUCHFZEGFS-LBPRGKRZSA-N 2 2 267.373 -0.083 20 0 CBADLP CCOC(=O)CN(CC[NH3+])C(=O)CCc1ccc(N)[nH+]c1 ZINC001183939092 821040629 /nfs/dbraw/zinc/04/06/29/821040629.db2.gz HNDYGZDHBSPAPI-UHFFFAOYSA-N 2 2 294.355 -0.053 20 0 CBADLP Cn1c[nH+]c(CCNC(=O)[C@@H]2C[N@H+](C)CCN2C)c1 ZINC001185262750 821116591 /nfs/dbraw/zinc/11/65/91/821116591.db2.gz PMLGPESODTUZSY-LBPRGKRZSA-N 2 2 265.361 -0.675 20 0 CBADLP Cn1c[nH+]c(CCNC(=O)[C@@H]2C[N@@H+](C)CCN2C)c1 ZINC001185262750 821116597 /nfs/dbraw/zinc/11/65/97/821116597.db2.gz PMLGPESODTUZSY-LBPRGKRZSA-N 2 2 265.361 -0.675 20 0 CBADLP C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@H]1C[NH2+]CC(N)=O ZINC001185788127 821142814 /nfs/dbraw/zinc/14/28/14/821142814.db2.gz LPRGAXVIPOJTSI-RYUDHWBXSA-N 2 2 293.371 -0.557 20 0 CBADLP CC(C)(O)CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](O)C2)CC1 ZINC001186044732 821157135 /nfs/dbraw/zinc/15/71/35/821157135.db2.gz JORDIYDYUUVCDM-CYBMUJFWSA-N 2 2 299.415 -0.642 20 0 CBADLP CC(C)(O)CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](O)C2)CC1 ZINC001186044732 821157140 /nfs/dbraw/zinc/15/71/40/821157140.db2.gz JORDIYDYUUVCDM-CYBMUJFWSA-N 2 2 299.415 -0.642 20 0 CBADLP COC(=O)[C@H]1CC[N@H+](CC(=O)NCCn2cc[nH+]c2)C1 ZINC001186099628 821168887 /nfs/dbraw/zinc/16/88/87/821168887.db2.gz VCGRZCCCOXRPLU-NSHDSACASA-N 2 2 280.328 -0.506 20 0 CBADLP COC(=O)[C@H]1CC[N@@H+](CC(=O)NCCn2cc[nH+]c2)C1 ZINC001186099628 821168892 /nfs/dbraw/zinc/16/88/92/821168892.db2.gz VCGRZCCCOXRPLU-NSHDSACASA-N 2 2 280.328 -0.506 20 0 CBADLP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001186221788 821176859 /nfs/dbraw/zinc/17/68/59/821176859.db2.gz PINSTOJNLNGCLN-WDEREUQCSA-N 2 2 293.371 -0.475 20 0 CBADLP CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001186576277 821189590 /nfs/dbraw/zinc/18/95/90/821189590.db2.gz PAXLTRNRIHZBNH-SNVBAGLBSA-N 2 2 279.344 -0.721 20 0 CBADLP CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001187091659 821212827 /nfs/dbraw/zinc/21/28/27/821212827.db2.gz JXWDHXVOASHDDD-LLVKDONJSA-N 2 2 293.371 -0.711 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001187420658 822277543 /nfs/dbraw/zinc/27/75/43/822277543.db2.gz QEGZZTQEJMIFLJ-WDEREUQCSA-N 2 2 293.371 -0.414 20 0 CBADLP CC[NH+]1CC(CCO)(NC(=O)C[N@H+](C)C(C)C)C1 ZINC001282545233 828452444 /nfs/dbraw/zinc/45/24/44/828452444.db2.gz NNTLQLJBXODTSU-UHFFFAOYSA-N 2 2 257.378 -0.101 20 0 CBADLP CC[NH+]1CC(CCO)(NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001282545233 828452449 /nfs/dbraw/zinc/45/24/49/828452449.db2.gz NNTLQLJBXODTSU-UHFFFAOYSA-N 2 2 257.378 -0.101 20 0 CBADLP CC[C@H](C(=O)NCCCNC(=O)Cn1cc[nH+]c1)[NH+](C)C ZINC001283286923 828511572 /nfs/dbraw/zinc/51/15/72/828511572.db2.gz KEHICAJSDNMQJZ-GFCCVEGCSA-N 2 2 295.387 -0.154 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@@H](CO)[NH2+]CC1CC1 ZINC001283830951 828554467 /nfs/dbraw/zinc/55/44/67/828554467.db2.gz HZRJIWUKTYQFNZ-NSHDSACASA-N 2 2 252.318 -0.640 20 0 CBADLP CCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001192014733 823939718 /nfs/dbraw/zinc/93/97/18/823939718.db2.gz SWFIEEDLBBNMLA-MGPQQGTHSA-N 2 2 299.415 -0.332 20 0 CBADLP CCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001192014733 823939729 /nfs/dbraw/zinc/93/97/29/823939729.db2.gz SWFIEEDLBBNMLA-MGPQQGTHSA-N 2 2 299.415 -0.332 20 0 CBADLP CCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001192014733 823939737 /nfs/dbraw/zinc/93/97/37/823939737.db2.gz SWFIEEDLBBNMLA-MGPQQGTHSA-N 2 2 299.415 -0.332 20 0 CBADLP CCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001192014733 823939747 /nfs/dbraw/zinc/93/97/47/823939747.db2.gz SWFIEEDLBBNMLA-MGPQQGTHSA-N 2 2 299.415 -0.332 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001192551845 823975688 /nfs/dbraw/zinc/97/56/88/823975688.db2.gz UIUWZISPEMXDEI-PWSUYJOCSA-N 2 2 293.371 -0.381 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001192551845 823975695 /nfs/dbraw/zinc/97/56/95/823975695.db2.gz UIUWZISPEMXDEI-PWSUYJOCSA-N 2 2 293.371 -0.381 20 0 CBADLP COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001192592186 823976784 /nfs/dbraw/zinc/97/67/84/823976784.db2.gz ZCIWXOMRXCWYNZ-GHMZBOCLSA-N 2 2 282.344 -0.850 20 0 CBADLP COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001192592186 823976790 /nfs/dbraw/zinc/97/67/90/823976790.db2.gz ZCIWXOMRXCWYNZ-GHMZBOCLSA-N 2 2 282.344 -0.850 20 0 CBADLP CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001192640128 823980276 /nfs/dbraw/zinc/98/02/76/823980276.db2.gz QNKVOAMBMQZBOP-NXEZZACHSA-N 2 2 252.318 -0.477 20 0 CBADLP CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001192640128 823980277 /nfs/dbraw/zinc/98/02/77/823980277.db2.gz QNKVOAMBMQZBOP-NXEZZACHSA-N 2 2 252.318 -0.477 20 0 CBADLP COC[C@@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001193047997 824001238 /nfs/dbraw/zinc/00/12/38/824001238.db2.gz KLQQYGWQBQLXBU-NEPJUHHUSA-N 2 2 296.371 -0.508 20 0 CBADLP COC[C@@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001193047997 824001244 /nfs/dbraw/zinc/00/12/44/824001244.db2.gz KLQQYGWQBQLXBU-NEPJUHHUSA-N 2 2 296.371 -0.508 20 0 CBADLP CC(C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001193602479 824036919 /nfs/dbraw/zinc/03/69/19/824036919.db2.gz WEQJOMDZVMKYLL-VXGBXAGGSA-N 2 2 266.345 -0.088 20 0 CBADLP CC(C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001193602479 824036924 /nfs/dbraw/zinc/03/69/24/824036924.db2.gz WEQJOMDZVMKYLL-VXGBXAGGSA-N 2 2 266.345 -0.088 20 0 CBADLP CC(C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001193602479 824036931 /nfs/dbraw/zinc/03/69/31/824036931.db2.gz WEQJOMDZVMKYLL-VXGBXAGGSA-N 2 2 266.345 -0.088 20 0 CBADLP CC(C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001193602479 824036937 /nfs/dbraw/zinc/03/69/37/824036937.db2.gz WEQJOMDZVMKYLL-VXGBXAGGSA-N 2 2 266.345 -0.088 20 0 CBADLP CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001195128349 824104120 /nfs/dbraw/zinc/10/41/20/824104120.db2.gz GXUWLIDQKCPLGU-VXGBXAGGSA-N 2 2 266.345 -0.156 20 0 CBADLP CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001195128349 824104122 /nfs/dbraw/zinc/10/41/22/824104122.db2.gz GXUWLIDQKCPLGU-VXGBXAGGSA-N 2 2 266.345 -0.156 20 0 CBADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)CCC[NH+](C)C)CC1 ZINC001196970838 824174149 /nfs/dbraw/zinc/17/41/49/824174149.db2.gz ZGQXCANOMTZUNE-UHFFFAOYSA-N 2 2 298.431 -0.001 20 0 CBADLP CCNC(=O)C[N@H+]1CCCN(C(=O)CCC[NH+](C)C)CC1 ZINC001196970838 824174156 /nfs/dbraw/zinc/17/41/56/824174156.db2.gz ZGQXCANOMTZUNE-UHFFFAOYSA-N 2 2 298.431 -0.001 20 0 CBADLP CC[N@H+](C)CCC(=O)N1CCC[NH+]([C@H](C)C(N)=O)CC1 ZINC001197692303 824199165 /nfs/dbraw/zinc/19/91/65/824199165.db2.gz TYETYGRZIZGUTL-GFCCVEGCSA-N 2 2 284.404 -0.264 20 0 CBADLP CC[N@@H+](C)CCC(=O)N1CCC[NH+]([C@H](C)C(N)=O)CC1 ZINC001197692303 824199168 /nfs/dbraw/zinc/19/91/68/824199168.db2.gz TYETYGRZIZGUTL-GFCCVEGCSA-N 2 2 284.404 -0.264 20 0 CBADLP CC[NH+](C)CCC(=O)N1CCC[N@@H+]([C@H](C)C(N)=O)CC1 ZINC001197692303 824199170 /nfs/dbraw/zinc/19/91/70/824199170.db2.gz TYETYGRZIZGUTL-GFCCVEGCSA-N 2 2 284.404 -0.264 20 0 CBADLP CC[NH+](C)CCC(=O)N1CCC[N@H+]([C@H](C)C(N)=O)CC1 ZINC001197692303 824199173 /nfs/dbraw/zinc/19/91/73/824199173.db2.gz TYETYGRZIZGUTL-GFCCVEGCSA-N 2 2 284.404 -0.264 20 0 CBADLP CC[NH+](C)CCC(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC001197707947 824200231 /nfs/dbraw/zinc/20/02/31/824200231.db2.gz SIATWLOTAKHLLP-UHFFFAOYSA-N 2 2 270.377 -0.652 20 0 CBADLP CC[N@H+](C)CCC(=O)N1CCC[NH+](CC(N)=O)CC1 ZINC001197707947 824200214 /nfs/dbraw/zinc/20/02/14/824200214.db2.gz SIATWLOTAKHLLP-UHFFFAOYSA-N 2 2 270.377 -0.652 20 0 CBADLP CC[N@@H+](C)CCC(=O)N1CCC[NH+](CC(N)=O)CC1 ZINC001197707947 824200221 /nfs/dbraw/zinc/20/02/21/824200221.db2.gz SIATWLOTAKHLLP-UHFFFAOYSA-N 2 2 270.377 -0.652 20 0 CBADLP CC[NH+](C)CCC(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC001197707947 824200227 /nfs/dbraw/zinc/20/02/27/824200227.db2.gz SIATWLOTAKHLLP-UHFFFAOYSA-N 2 2 270.377 -0.652 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N1CCC[NH+]([C@H](C)C(N)=O)CC1 ZINC001198259491 824222410 /nfs/dbraw/zinc/22/24/10/824222410.db2.gz MZERHGBKUQFQGR-GFCCVEGCSA-N 2 2 284.404 -0.265 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N1CCC[NH+]([C@H](C)C(N)=O)CC1 ZINC001198259491 824222415 /nfs/dbraw/zinc/22/24/15/824222415.db2.gz MZERHGBKUQFQGR-GFCCVEGCSA-N 2 2 284.404 -0.265 20 0 CBADLP CC(C)[NH+](C)CC(=O)N1CCC[N@@H+]([C@H](C)C(N)=O)CC1 ZINC001198259491 824222423 /nfs/dbraw/zinc/22/24/23/824222423.db2.gz MZERHGBKUQFQGR-GFCCVEGCSA-N 2 2 284.404 -0.265 20 0 CBADLP CC(C)[NH+](C)CC(=O)N1CCC[N@H+]([C@H](C)C(N)=O)CC1 ZINC001198259491 824222428 /nfs/dbraw/zinc/22/24/28/824222428.db2.gz MZERHGBKUQFQGR-GFCCVEGCSA-N 2 2 284.404 -0.265 20 0 CBADLP CCOCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001199405633 824265848 /nfs/dbraw/zinc/26/58/48/824265848.db2.gz GXHVUBZYMYYTEG-CHWSQXEVSA-N 2 2 296.371 -0.529 20 0 CBADLP CCOCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001199405633 824265853 /nfs/dbraw/zinc/26/58/53/824265853.db2.gz GXHVUBZYMYYTEG-CHWSQXEVSA-N 2 2 296.371 -0.529 20 0 CBADLP C[C@H](O)CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001199405827 824266304 /nfs/dbraw/zinc/26/63/04/824266304.db2.gz LWHCKLVUSLJNRV-YNEHKIRRSA-N 2 2 296.371 -0.795 20 0 CBADLP C[C@H](O)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001199405827 824266312 /nfs/dbraw/zinc/26/63/12/824266312.db2.gz LWHCKLVUSLJNRV-YNEHKIRRSA-N 2 2 296.371 -0.795 20 0 CBADLP COCC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCCO1 ZINC001201720161 824335012 /nfs/dbraw/zinc/33/50/12/824335012.db2.gz PAFGJTKSRRQQNR-GFCCVEGCSA-N 2 2 296.371 -0.194 20 0 CBADLP COC[C@@H](O)C[NH2+]C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001204075725 824364231 /nfs/dbraw/zinc/36/42/31/824364231.db2.gz CMTVVDPHQIFEHF-ZDUSSCGKSA-N 2 2 296.371 -0.529 20 0 CBADLP Nc1cnc(C[N@@H+]2CCCC[C@](O)(C[NH3+])C2)cn1 ZINC001205725246 824384924 /nfs/dbraw/zinc/38/49/24/824384924.db2.gz FKRTXRXQMUDCDF-LBPRGKRZSA-N 2 2 251.334 -0.266 20 0 CBADLP Nc1cnc(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)cn1 ZINC001205725246 824384929 /nfs/dbraw/zinc/38/49/29/824384929.db2.gz FKRTXRXQMUDCDF-LBPRGKRZSA-N 2 2 251.334 -0.266 20 0 CBADLP CC(C)(C)OC(=O)NCC[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206511957 824401779 /nfs/dbraw/zinc/40/17/79/824401779.db2.gz FKGDTZVWYBIEID-UWVGGRQHSA-N 2 2 259.350 -0.238 20 0 CBADLP CC(C)(C)OC(=O)NCC[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206511957 824401782 /nfs/dbraw/zinc/40/17/82/824401782.db2.gz FKGDTZVWYBIEID-UWVGGRQHSA-N 2 2 259.350 -0.238 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CCC(C[NH2+]CCO)CC1 ZINC001206972039 824415870 /nfs/dbraw/zinc/41/58/70/824415870.db2.gz OSEPDNSEXWJBPZ-UHFFFAOYSA-N 2 2 266.345 -0.296 20 0 CBADLP COC(=O)[C@H]1CN(C)CC[N@@H+]1CC1CC[NH2+]CC1 ZINC001207441416 824427892 /nfs/dbraw/zinc/42/78/92/824427892.db2.gz BBGXJEAGNPSFST-GFCCVEGCSA-N 2 2 255.362 -0.225 20 0 CBADLP COC(=O)[C@H]1CN(C)CC[N@H+]1CC1CC[NH2+]CC1 ZINC001207441416 824427896 /nfs/dbraw/zinc/42/78/96/824427896.db2.gz BBGXJEAGNPSFST-GFCCVEGCSA-N 2 2 255.362 -0.225 20 0 CBADLP CC1(C[NH+]2CCN(CC[NH+]3CCOCC3)CC2)COC1 ZINC001207794212 824437947 /nfs/dbraw/zinc/43/79/47/824437947.db2.gz BKCWQMJNCKFDAF-UHFFFAOYSA-N 2 2 283.416 -0.027 20 0 CBADLP COC[C@H](O)C[NH2+][C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001209838019 824476116 /nfs/dbraw/zinc/47/61/16/824476116.db2.gz VMRQAZHRUBZVAP-WCQYABFASA-N 2 2 296.371 -0.460 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001209838379 824476417 /nfs/dbraw/zinc/47/64/17/824476417.db2.gz XNSDDIIYFVOBRL-MNOVXSKESA-N 2 2 293.371 -0.333 20 0 CBADLP CC1(C)[NH2+]C[C@@H](C[N@@H+]2CC[C@](C)(CO)[C@H](O)C2)O1 ZINC001209845771 824476437 /nfs/dbraw/zinc/47/64/37/824476437.db2.gz MKKHHYLKDQBRKX-DMDPSCGWSA-N 2 2 258.362 -0.224 20 0 CBADLP CC1(C)[NH2+]C[C@@H](C[N@H+]2CC[C@](C)(CO)[C@H](O)C2)O1 ZINC001209845771 824476441 /nfs/dbraw/zinc/47/64/41/824476441.db2.gz MKKHHYLKDQBRKX-DMDPSCGWSA-N 2 2 258.362 -0.224 20 0 CBADLP COC[C@@H](O)C[NH2+][C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001209838020 824476610 /nfs/dbraw/zinc/47/66/10/824476610.db2.gz VMRQAZHRUBZVAP-YPMHNXCESA-N 2 2 296.371 -0.460 20 0 CBADLP C[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001210717446 824480386 /nfs/dbraw/zinc/48/03/86/824480386.db2.gz IERSIQLPLQJIOP-DGCLKSJQSA-N 2 2 280.372 -0.219 20 0 CBADLP C[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001210717446 824480390 /nfs/dbraw/zinc/48/03/90/824480390.db2.gz IERSIQLPLQJIOP-DGCLKSJQSA-N 2 2 280.372 -0.219 20 0 CBADLP C[C@@H]1C[NH+](CCc2nnc(C[C@@H]([NH3+])C(N)=O)o2)C[C@@H](C)O1 ZINC001217743538 824560915 /nfs/dbraw/zinc/56/09/15/824560915.db2.gz VAUDERCKFUBIQC-OPRDCNLKSA-N 2 2 297.359 -0.924 20 0 CBADLP Cc1cc(C[C@H](C)NC(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)on1 ZINC001218500596 824570117 /nfs/dbraw/zinc/57/01/17/824570117.db2.gz KUKLMRWFONDKNE-PXWWUCIGSA-N 2 2 278.356 -0.018 20 0 CBADLP COC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)cn1 ZINC001218508664 824575916 /nfs/dbraw/zinc/57/59/16/824575916.db2.gz AZDVTGZRISIOJA-XCBNKYQSSA-N 2 2 264.285 -0.504 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2nnc(Br)s2)C1 ZINC001218511273 824576664 /nfs/dbraw/zinc/57/66/64/824576664.db2.gz OEBSBZYUPIZRBT-DMTCNVIQSA-N 2 2 292.162 -0.072 20 0 CBADLP CCOC(=O)c1c(C)[nH]nc1NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001218512078 824577699 /nfs/dbraw/zinc/57/76/99/824577699.db2.gz GXBYFAUGMDREHJ-YUMQZZPRSA-N 2 2 281.316 -0.620 20 0 CBADLP COc1ccc2nc(NC(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)nnc2c1 ZINC001218512669 824577921 /nfs/dbraw/zinc/57/79/21/824577921.db2.gz OVMGNSLCYURMOT-HQJQHLMTSA-N 2 2 288.311 -0.339 20 0 CBADLP O=C(C[NH2+]C1CC[NH2+]CC1)Nc1ncnc2n[nH]nc21 ZINC001218515960 824578752 /nfs/dbraw/zinc/57/87/52/824578752.db2.gz PEQBDIFZVADOAS-UHFFFAOYSA-N 2 2 276.304 -0.972 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2nc3c(s2)C[C@H]([NH3+])CC3)C1 ZINC001218532509 824585319 /nfs/dbraw/zinc/58/53/19/824585319.db2.gz FTBHNFTVJKHLLA-BHNWBGBOSA-N 3 2 281.385 -0.413 20 0 CBADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC001218532709 824585727 /nfs/dbraw/zinc/58/57/27/824585727.db2.gz JEGHBADZBASDOY-BQBZGAKWSA-N 3 2 269.374 -0.426 20 0 CBADLP COC(=O)[C@@H]([NH3+])CC(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC001218533688 824585925 /nfs/dbraw/zinc/58/59/25/824585925.db2.gz RFCNLVIMDQUVHZ-BQBZGAKWSA-N 2 2 298.368 -0.212 20 0 CBADLP N=c1scc(N)n1C(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001218540665 824586596 /nfs/dbraw/zinc/58/65/96/824586596.db2.gz JOJQEQGOYLGVIY-UHFFFAOYSA-N 2 2 255.347 -0.407 20 0 CBADLP COc1cc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)ncn1 ZINC001218536504 824587101 /nfs/dbraw/zinc/58/71/01/824587101.db2.gz VLMYDXLXEQPJQR-VIFPVBQESA-N 2 2 276.300 -0.273 20 0 CBADLP COc1cc(NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)ncn1 ZINC001218536562 824587655 /nfs/dbraw/zinc/58/76/55/824587655.db2.gz WKQLQPOVFACFRU-MRVPVSSYSA-N 2 2 262.273 -0.283 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc(N2CCOCC2)nc1 ZINC001218551226 824588524 /nfs/dbraw/zinc/58/85/24/824588524.db2.gz JTCSCXRDPKZNTI-RYUDHWBXSA-N 2 2 291.355 -0.597 20 0 CBADLP CCOC(=O)c1n[nH]cc1NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001218556093 824589821 /nfs/dbraw/zinc/58/98/21/824589821.db2.gz UTIPEVFTLAMQSF-RQJHMYQMSA-N 2 2 267.289 -0.786 20 0 CBADLP COc1cncc(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])c1C ZINC001218561330 824591434 /nfs/dbraw/zinc/59/14/34/824591434.db2.gz GADHYXAMMWCOBZ-IUCAKERBSA-N 2 2 250.302 -0.116 20 0 CBADLP COCCCN(C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])c1ncccc1N ZINC001218559706 824592183 /nfs/dbraw/zinc/59/21/83/824592183.db2.gz DRMWDXMEFPZYTO-JQWIXIFHSA-N 2 2 293.371 -0.420 20 0 CBADLP [NH3+]C1(C(=O)Nc2ncnn3cccc23)CC[NH2+]CC1 ZINC001218565438 824593121 /nfs/dbraw/zinc/59/31/21/824593121.db2.gz SHGAOWJFRKRAQD-UHFFFAOYSA-N 2 2 260.301 -0.829 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1ncnn2cccc12 ZINC001218564932 824593284 /nfs/dbraw/zinc/59/32/84/824593284.db2.gz MIQMDTNBJBTREG-JTQLQIEISA-N 2 2 285.311 -0.607 20 0 CBADLP Cc1nc(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)cc(=O)[nH]1 ZINC001218565084 824593346 /nfs/dbraw/zinc/59/33/46/824593346.db2.gz RERLNDSDDMEXDB-RWYTXXIDSA-N 2 2 263.301 -0.349 20 0 CBADLP N=c1c(N)c(Cl)ccn1C(=O)C1([NH3+])CC[NH2+]CC1 ZINC001218567513 824594052 /nfs/dbraw/zinc/59/40/52/824594052.db2.gz RYJFSAWZRCRPON-UHFFFAOYSA-N 2 2 269.736 -0.076 20 0 CBADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1cncnc1Br ZINC001218569855 824594912 /nfs/dbraw/zinc/59/49/12/824594912.db2.gz DQWFYGXCCPZOTD-YFKPBYRVSA-N 2 2 274.122 -0.146 20 0 CBADLP CCCN=c1c(N)c(Cl)ncn1C(=O)[C@@H]([NH3+])CC[NH3+] ZINC001218571396 824595575 /nfs/dbraw/zinc/59/55/75/824595575.db2.gz HALAYBVIOWVZLA-ZETCQYMHSA-N 2 2 286.767 -0.254 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1nc(Cl)nc2[nH]cnc21 ZINC001218588439 824600482 /nfs/dbraw/zinc/60/04/82/824600482.db2.gz AGWGTTIQZLSRHL-WHFBIAKZSA-N 2 2 281.707 -0.509 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)n1c(=N)ccc(F)c1N ZINC001218604875 824602558 /nfs/dbraw/zinc/60/25/58/824602558.db2.gz XZMMQTPHTQDWSZ-VIFPVBQESA-N 2 2 278.291 -0.367 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cccnc1OC1COC1 ZINC001218621519 824605787 /nfs/dbraw/zinc/60/57/87/824605787.db2.gz SEESSAWZYKBFAN-UWVGGRQHSA-N 2 2 278.312 -0.656 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1cnc(N)cn1 ZINC001218623340 824607174 /nfs/dbraw/zinc/60/71/74/824607174.db2.gz IUSRHUKTPIXUIF-QMMMGPOBSA-N 2 2 261.289 -0.699 20 0 CBADLP COc1nc(Cl)ncc1NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001218635435 824610271 /nfs/dbraw/zinc/61/02/71/824610271.db2.gz RLBFCADSLKMILX-WDSKDSINSA-N 2 2 271.708 -0.376 20 0 CBADLP COc1nccc(N)c1NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001218632994 824610278 /nfs/dbraw/zinc/61/02/78/824610278.db2.gz FFJJKLHMTJSYRH-KKFJDGPESA-N 2 2 277.328 -0.167 20 0 CBADLP COC(=O)c1n[nH]c(C)c1NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001218640035 824612549 /nfs/dbraw/zinc/61/25/49/824612549.db2.gz LJMMKWSZCJCNEY-QMMMGPOBSA-N 2 2 292.299 -0.264 20 0 CBADLP COC(=O)c1n[nH]c(C)c1NC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001218641284 824612863 /nfs/dbraw/zinc/61/28/63/824612863.db2.gz WVEJUEYXZDVGKJ-UHFFFAOYSA-N 2 2 295.343 -0.215 20 0 CBADLP COc1ccc(C)nc1NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001218661506 824618280 /nfs/dbraw/zinc/61/82/80/824618280.db2.gz KRDIXDBPNVGBJN-IUCAKERBSA-N 2 2 250.302 -0.116 20 0 CBADLP CCOc1cc(N)n(C(=O)C[NH2+]C2CC[NH2+]CC2)c(=N)n1 ZINC001218680815 824621211 /nfs/dbraw/zinc/62/12/11/824621211.db2.gz LOFBHKAKSZNWQU-UHFFFAOYSA-N 2 2 294.359 -0.675 20 0 CBADLP CCOc1cc(N)n(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)c(=N)n1 ZINC001218680600 824621500 /nfs/dbraw/zinc/62/15/00/824621500.db2.gz CYUOAVTZGBWYJB-RBDZCENOSA-N 2 2 292.343 -0.795 20 0 CBADLP Cc1cc(NC(=O)[C@H](N)C[NH+]2CCC([NH3+])CC2)cc(=O)o1 ZINC001218683202 824622712 /nfs/dbraw/zinc/62/27/12/824622712.db2.gz VVOIBQXYOFABBA-GFCCVEGCSA-N 2 2 294.355 -0.363 20 0 CBADLP COCn1cc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)cn1 ZINC001218701235 824625000 /nfs/dbraw/zinc/62/50/00/824625000.db2.gz SPDVMCHPAOODPH-NSHDSACASA-N 2 2 278.316 -0.271 20 0 CBADLP [NH3+]Cc1cncc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)c1 ZINC001218704367 824626279 /nfs/dbraw/zinc/62/62/79/824626279.db2.gz PMAFMLUVXMVXKT-NSHDSACASA-N 3 2 260.301 -0.228 20 0 CBADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1ncccc1N1CCOCC1 ZINC001218713999 824628125 /nfs/dbraw/zinc/62/81/25/824628125.db2.gz UGNHBXJQBUHWJY-JTQLQIEISA-N 2 2 279.344 -0.467 20 0 CBADLP Cc1cnn(CCO)c1NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001218749356 824633271 /nfs/dbraw/zinc/63/32/71/824633271.db2.gz AVIFYKUVBVUZGH-BREBYQMCSA-N 2 2 279.344 -0.656 20 0 CBADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1ccnn1Br ZINC001218772259 824637946 /nfs/dbraw/zinc/63/79/46/824637946.db2.gz MLGRKTMBKPWJKQ-YFKPBYRVSA-N 2 2 262.111 -0.344 20 0 CBADLP COC(=O)/C=C/c1ccc(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])nc1 ZINC001218803061 824640707 /nfs/dbraw/zinc/64/07/07/824640707.db2.gz PJUFFUGPCRMJJS-UTSBZEJYSA-N 2 2 290.323 -0.247 20 0 CBADLP COC(=O)c1cc(OC)ccc1NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001218823473 824642924 /nfs/dbraw/zinc/64/29/24/824642924.db2.gz SWWZQHBGTOCHII-QWRGUYRKSA-N 2 2 293.323 -0.033 20 0 CBADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1ccc2c(cnn2CCO)c1 ZINC001218878151 824645237 /nfs/dbraw/zinc/64/52/37/824645237.db2.gz ACBLJERMFJGTAI-NSHDSACASA-N 2 2 277.328 -0.357 20 0 CBADLP CN(C(=O)[C@H](N)C[NH+]1CCC([NH3+])CC1)c1ccccc1N ZINC001218883127 824646048 /nfs/dbraw/zinc/64/60/48/824646048.db2.gz IRGBFZOXFOMBEP-CYBMUJFWSA-N 2 2 291.399 -0.018 20 0 CBADLP Nc1ccc(OCCO)c(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])c1 ZINC001218917861 824647099 /nfs/dbraw/zinc/64/70/99/824647099.db2.gz ARYDSXSFNHYZFF-UWVGGRQHSA-N 2 2 280.328 -0.875 20 0 CBADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1ccc2c(c1)CCNC2=O ZINC001218935027 824648501 /nfs/dbraw/zinc/64/85/01/824648501.db2.gz OCJHTGYODPFNCG-NSHDSACASA-N 2 2 262.313 -0.413 20 0 CBADLP NC(=O)Cc1cccc(NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)c1 ZINC001218954657 824649691 /nfs/dbraw/zinc/64/96/91/824649691.db2.gz OKCDTRONEVBWDM-GFCCVEGCSA-N 2 2 287.323 -0.054 20 0 CBADLP COC(=O)c1c(O)cccc1NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001218988601 824652405 /nfs/dbraw/zinc/65/24/05/824652405.db2.gz YAGXMJIKFKBLLL-YUMQZZPRSA-N 2 2 279.296 -0.336 20 0 CBADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC001219028069 824654849 /nfs/dbraw/zinc/65/48/49/824654849.db2.gz OEBOZBCOKHIZBF-NSHDSACASA-N 3 2 264.329 -0.217 20 0 CBADLP COC(=O)c1cc(O)c(F)cc1NC(=O)[C@@H]([NH3+])CC[NH3+] ZINC001219081498 824657621 /nfs/dbraw/zinc/65/76/21/824657621.db2.gz YKHXOPXXHPBPOV-QMMMGPOBSA-N 2 2 285.275 -0.068 20 0 CBADLP COc1ccc(N)c(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])c1 ZINC001219144078 824668331 /nfs/dbraw/zinc/66/83/31/824668331.db2.gz DHGXKNVPNORCAH-WPRPVWTQSA-N 2 2 250.302 -0.237 20 0 CBADLP NC(=O)c1cc2[nH]ccc2c(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)c1 ZINC001219417655 824706844 /nfs/dbraw/zinc/70/68/44/824706844.db2.gz ZFZJHVFJECPHHR-PELKAZGASA-N 2 2 287.323 -0.106 20 0 CBADLP C[C@@H](O)[C@@H](CO)NC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001219558866 824729696 /nfs/dbraw/zinc/72/96/96/824729696.db2.gz YEISMENNCBZYMP-GGZOMVNGSA-N 2 2 267.329 -0.883 20 0 CBADLP O=C(NCCn1cc[nH+]c1)[C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1 ZINC001219563726 824730128 /nfs/dbraw/zinc/73/01/28/824730128.db2.gz JVKFHKVKJNWGHA-SDDRHHMPSA-N 2 2 264.329 -0.234 20 0 CBADLP Cc1cccnc1CNC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001219563711 824730797 /nfs/dbraw/zinc/73/07/97/824730797.db2.gz JAAGKKWCZOALMH-RISCZKNCSA-N 2 2 260.341 -0.042 20 0 CBADLP C[NH2+][C@@H](CCCC[NH3+])C(=O)NCCn1cc[nH+]c1 ZINC001219564092 824731128 /nfs/dbraw/zinc/73/11/28/824731128.db2.gz RBFWZAJOQPKMNS-NSHDSACASA-N 3 2 253.350 -0.284 20 0 CBADLP [NH3+]C1(C(=O)NCCN2CCCCC2=O)CC[NH2+]CC1 ZINC001219569583 824732602 /nfs/dbraw/zinc/73/26/02/824732602.db2.gz XMJCTIBHDRDESP-UHFFFAOYSA-N 2 2 268.361 -0.804 20 0 CBADLP Cc1cc(C)n(CCNC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)n1 ZINC001219595979 824738808 /nfs/dbraw/zinc/73/88/08/824738808.db2.gz YKTZOIBOXJGMAL-RWMBFGLXSA-N 2 2 277.372 -0.434 20 0 CBADLP Cc1cc(C)n(CCNC(=O)C2([NH3+])CC[NH2+]CC2)n1 ZINC001219595923 824739167 /nfs/dbraw/zinc/73/91/67/824739167.db2.gz WIRRVRBSXHYOGJ-UHFFFAOYSA-N 2 2 265.361 -0.303 20 0 CBADLP Cc1cc(C)n(CCNC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)n1 ZINC001219595711 824739224 /nfs/dbraw/zinc/73/92/24/824739224.db2.gz LONLNKQWWLSFBX-GFCCVEGCSA-N 2 2 276.344 -0.091 20 0 CBADLP Cc1cc(C)n(CCNC(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)n1 ZINC001219595981 824739836 /nfs/dbraw/zinc/73/98/36/824739836.db2.gz YOBOABRVWMUZAO-JSGCOSHPSA-N 2 2 277.372 -0.432 20 0 CBADLP Cc1cc(C)n(CCNC(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)n1 ZINC001219595983 824739899 /nfs/dbraw/zinc/73/98/99/824739899.db2.gz YOBOABRVWMUZAO-TZMCWYRMSA-N 2 2 277.372 -0.432 20 0 CBADLP Cc1cccn2c(CNC(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])nnc12 ZINC001219597233 824740847 /nfs/dbraw/zinc/74/08/47/824740847.db2.gz FHMKKXNSAXPAMV-UWVGGRQHSA-N 2 2 274.328 -0.799 20 0 CBADLP Cc1cnc(CCNC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)nc1 ZINC001219600723 824741260 /nfs/dbraw/zinc/74/12/60/824741260.db2.gz DKCGUDRTKXRKCK-LLVKDONJSA-N 2 2 274.328 -0.263 20 0 CBADLP Cc1ccnc(CNC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)n1 ZINC001219600149 824741533 /nfs/dbraw/zinc/74/15/33/824741533.db2.gz JQPAIIKXUIFTCR-JTQLQIEISA-N 2 2 260.301 -0.306 20 0 CBADLP Cc1cc(CNC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)no1 ZINC001219603793 824850655 /nfs/dbraw/zinc/85/06/55/824850655.db2.gz DEEICLUJZUAIPA-INTQDDNPSA-N 2 2 250.302 -0.451 20 0 CBADLP CC(C)C[C@H](CO)NC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001219631307 824865247 /nfs/dbraw/zinc/86/52/47/824865247.db2.gz WZBATDHGCPPHCT-DMDPSCGWSA-N 2 2 255.362 -0.539 20 0 CBADLP CC(C)C[C@H](CO)NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001219630765 824865343 /nfs/dbraw/zinc/86/53/43/824865343.db2.gz JTXRMFZKIHIXQV-UZWSLXQKSA-N 2 2 255.362 -0.269 20 0 CBADLP Cn1c[nH+]c(CCNC(=O)[C@@H]2CCCN2C(=O)C[NH3+])c1 ZINC001219633784 824867971 /nfs/dbraw/zinc/86/79/71/824867971.db2.gz DYNSTYMYIWUGIX-NSHDSACASA-N 2 2 279.344 -0.972 20 0 CBADLP Cn1c[nH+]c(CCNC(=O)CN2CCCC[C@H]([NH3+])C2=O)c1 ZINC001219634545 824867999 /nfs/dbraw/zinc/86/79/99/824867999.db2.gz ZRTVEIHSGVMXQI-LBPRGKRZSA-N 2 2 293.371 -0.581 20 0 CBADLP Cn1c[nH+]c(CCNC(=O)[C@@H]([NH3+])CSCC[NH3+])c1 ZINC001219634406 824868177 /nfs/dbraw/zinc/86/81/77/824868177.db2.gz WTMOMQXUBWYVEH-JTQLQIEISA-N 3 2 271.390 -0.902 20 0 CBADLP C[C@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)C1 ZINC001219642041 824869866 /nfs/dbraw/zinc/86/98/66/824869866.db2.gz OKUYFGHHKFTTLZ-QNWJLWSRSA-N 3 2 266.389 -0.702 20 0 CBADLP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@@H](N)C[NH+]2CCC([NH3+])CC2)C1 ZINC001219648998 824872824 /nfs/dbraw/zinc/87/28/24/824872824.db2.gz CZQMDVGJSZIKCA-SCRDCRAPSA-N 3 2 297.447 -0.901 20 0 CBADLP C[C@H]1C[NH2+]C[C@H](CNC(=O)c2n[nH]c3c2C[NH2+]C3)C1 ZINC001219661282 824874116 /nfs/dbraw/zinc/87/41/16/824874116.db2.gz AXKNWVCTZTZJCL-RKDXNWHRSA-N 2 2 263.345 -0.012 20 0 CBADLP CCOC(=O)c1nc[nH]c1CNC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001219676927 824878437 /nfs/dbraw/zinc/87/84/37/824878437.db2.gz ZFYMDNYJDHKNBP-UHFFFAOYSA-N 2 2 295.343 -0.717 20 0 CBADLP Cc1cc(C)c(CNC(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)c(=O)[nH]1 ZINC001219689407 824879401 /nfs/dbraw/zinc/87/94/01/824879401.db2.gz RREAYNVNULHJSU-IAQYHMDHSA-N 2 2 290.367 -0.028 20 0 CBADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)NCCC2(O)C[NH2+]C2)cc1 ZINC001219697333 824881137 /nfs/dbraw/zinc/88/11/37/824881137.db2.gz SIGNKRMNXPTXNJ-GFCCVEGCSA-N 3 2 278.356 -0.901 20 0 CBADLP C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C1 ZINC001219695770 824881556 /nfs/dbraw/zinc/88/15/56/824881556.db2.gz YAVXKSMSMADVPK-CHWSQXEVSA-N 3 2 296.415 -0.693 20 0 CBADLP C[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C1 ZINC001219695770 824881561 /nfs/dbraw/zinc/88/15/61/824881561.db2.gz YAVXKSMSMADVPK-CHWSQXEVSA-N 3 2 296.415 -0.693 20 0 CBADLP C[N@@H+]1CCO[C@@H](CNC(=O)C2CC3(C[NH2+]C3)C2)C1 ZINC001219695003 824881647 /nfs/dbraw/zinc/88/16/47/824881647.db2.gz PGZPTUCDATUIFF-NSHDSACASA-N 2 2 253.346 -0.567 20 0 CBADLP C[N@H+]1CCO[C@@H](CNC(=O)C2CC3(C[NH2+]C3)C2)C1 ZINC001219695003 824881655 /nfs/dbraw/zinc/88/16/55/824881655.db2.gz PGZPTUCDATUIFF-NSHDSACASA-N 2 2 253.346 -0.567 20 0 CBADLP CN(C(=O)CCNC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)C1CC1 ZINC001219693223 824882038 /nfs/dbraw/zinc/88/20/38/824882038.db2.gz SKMXPHPTOPTGRJ-ZMLRMANQSA-N 2 2 280.372 -0.937 20 0 CBADLP COC(=O)[C@@H]([NH3+])CC(=O)NCc1ccc2c(c1)CC[NH2+]C2 ZINC001219703492 824883000 /nfs/dbraw/zinc/88/30/00/824883000.db2.gz LKFKLVCBWVFGOV-ZDUSSCGKSA-N 2 2 291.351 -0.161 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NC[C@@H]2CCC3(CC[NH2+]CC3)O2)C1 ZINC001219743964 824890409 /nfs/dbraw/zinc/89/04/09/824890409.db2.gz PZDAPTDMRPUBGE-WOPDTQHZSA-N 3 2 282.388 -0.907 20 0 CBADLP COCCC[N@H+]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001219769696 824891683 /nfs/dbraw/zinc/89/16/83/824891683.db2.gz XZADCQRFNMICCE-OLZOCXBDSA-N 2 2 296.371 -0.460 20 0 CBADLP COCCC[N@@H+]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001219769696 824891684 /nfs/dbraw/zinc/89/16/84/824891684.db2.gz XZADCQRFNMICCE-OLZOCXBDSA-N 2 2 296.371 -0.460 20 0 CBADLP COC(=O)[C@@H]([NH3+])CCC(=O)NCc1noc2c1C[NH2+]CC2 ZINC001219809112 824895378 /nfs/dbraw/zinc/89/53/78/824895378.db2.gz DSJKRUFEWQDQFL-VIFPVBQESA-N 2 2 296.327 -0.783 20 0 CBADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[C@H]1CCOC12C[NH2+]C2 ZINC001219800936 824896146 /nfs/dbraw/zinc/89/61/46/824896146.db2.gz PDUXSADUYVEPDP-CMPLNLGQSA-N 3 2 293.371 -0.836 20 0 CBADLP O=C(N[C@H]1C[NH2+]Cc2ccsc21)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001219822825 824897900 /nfs/dbraw/zinc/89/79/00/824897900.db2.gz GJYMXUOTCITORH-YFKTTZPYSA-N 3 2 292.408 -0.042 20 0 CBADLP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[NH+](CCF)C[C@@H]1O ZINC001219829686 824899433 /nfs/dbraw/zinc/89/94/33/824899433.db2.gz BENLFULGXAXSGY-XQQFMLRXSA-N 2 2 287.379 -0.008 20 0 CBADLP C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[NH+](CCF)C[C@@H]1O ZINC001219829686 824899442 /nfs/dbraw/zinc/89/94/42/824899442.db2.gz BENLFULGXAXSGY-XQQFMLRXSA-N 2 2 287.379 -0.008 20 0 CBADLP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1C[N@H+](CCF)C[C@@H]1O ZINC001219829686 824899450 /nfs/dbraw/zinc/89/94/50/824899450.db2.gz BENLFULGXAXSGY-XQQFMLRXSA-N 2 2 287.379 -0.008 20 0 CBADLP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001219829686 824899457 /nfs/dbraw/zinc/89/94/57/824899457.db2.gz BENLFULGXAXSGY-XQQFMLRXSA-N 2 2 287.379 -0.008 20 0 CBADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001219850596 824902850 /nfs/dbraw/zinc/90/28/50/824902850.db2.gz YLTRJSQYJXFSMN-XYJRDEOASA-N 3 2 293.371 -0.980 20 0 CBADLP CC(C)OC(=O)[C@H](C)NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001219880604 824908100 /nfs/dbraw/zinc/90/81/00/824908100.db2.gz FNPJWMBJNUQRNM-XWLWVQCSSA-N 2 2 269.345 -0.607 20 0 CBADLP CC(=O)N1C[C@@H]2C[C@]2(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)C1 ZINC001219891186 824910845 /nfs/dbraw/zinc/91/08/45/824910845.db2.gz PEIUVQDYAJQYQB-GAFUQQFSSA-N 2 2 277.328 -0.984 20 0 CBADLP C[NH+](C)CCCCCNC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001219921608 824914662 /nfs/dbraw/zinc/91/46/62/824914662.db2.gz VVYRWEFGCPCJCQ-UHFFFAOYSA-N 3 2 256.394 -0.085 20 0 CBADLP C[NH+](C)CCCCCNC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001219917960 824915649 /nfs/dbraw/zinc/91/56/49/824915649.db2.gz AAHKNNWMYXYATK-JSGCOSHPSA-N 3 2 268.405 -0.214 20 0 CBADLP Cc1[nH+]ccn1CCNC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001219934726 824916578 /nfs/dbraw/zinc/91/65/78/824916578.db2.gz JRFITWMHELNEHF-ZDUSSCGKSA-N 3 2 294.403 -0.942 20 0 CBADLP CC(=O)OC[C@H]([NH3+])C(=O)NCCn1cc[nH+]c1C ZINC001219934959 824916641 /nfs/dbraw/zinc/91/66/41/824916641.db2.gz VMXJQEUUDQHUJV-JTQLQIEISA-N 2 2 254.290 -0.802 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NCCOc1ccccc1F ZINC001219936661 824917911 /nfs/dbraw/zinc/91/79/11/824917911.db2.gz ONEKAFJNRLODCS-ONGXEEELSA-N 2 2 267.304 -0.133 20 0 CBADLP [NH3+]CCCC[C@H]([NH3+])C(=O)NCCNC(=O)c1ccncc1 ZINC001219939252 824918874 /nfs/dbraw/zinc/91/88/74/824918874.db2.gz YAKCGGQYVNLMHC-LBPRGKRZSA-N 2 2 293.371 -0.616 20 0 CBADLP [NH3+]C1(C(=O)NCCNC(=O)c2ccncc2)CC[NH2+]CC1 ZINC001219938815 824918953 /nfs/dbraw/zinc/91/89/53/824918953.db2.gz GAGNWMACTCGIGC-UHFFFAOYSA-N 2 2 291.355 -0.992 20 0 CBADLP Cc1nonc1CNC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001219948577 824919972 /nfs/dbraw/zinc/91/99/72/824919972.db2.gz YRTQXPQKAJAXES-MRVPVSSYSA-N 2 2 250.262 -0.713 20 0 CBADLP Cc1c[nH]c(CCNC(=O)[C@H](CC(C)C)NC(=O)C[NH3+])[nH+]1 ZINC001219951877 824920068 /nfs/dbraw/zinc/92/00/68/824920068.db2.gz FQAMIGFMLHJSDV-NSHDSACASA-N 2 2 295.387 -0.134 20 0 CBADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)N[C@H]2C=CS(=O)(=O)C2)cc1 ZINC001219945546 824920113 /nfs/dbraw/zinc/92/01/13/824920113.db2.gz MPGRFMYFMJNUFF-NWDGAFQWSA-N 2 2 295.364 -0.314 20 0 CBADLP Cc1c[nH]c(CCNC(=O)[C@H]([NH3+])CCCNC(N)=O)[nH+]1 ZINC001219951948 824920655 /nfs/dbraw/zinc/92/06/55/824920655.db2.gz IUGSSEZONQDNLY-SECBINFHSA-N 2 2 282.348 -0.847 20 0 CBADLP NC(=O)c1ccc(CNC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)cc1 ZINC001219961102 824921798 /nfs/dbraw/zinc/92/17/98/824921798.db2.gz FJYDWFWPXIESPS-RWMBFGLXSA-N 2 2 288.351 -0.648 20 0 CBADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)NC[C@@H]2CCC(=O)N2)cc1 ZINC001219959587 824922754 /nfs/dbraw/zinc/92/27/54/824922754.db2.gz ZMUAYFHNJPRGRK-NWDGAFQWSA-N 2 2 276.340 -0.347 20 0 CBADLP CCC[NH+]1CCC(NC(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)CC1 ZINC001219954874 824922813 /nfs/dbraw/zinc/92/28/13/824922813.db2.gz WGSJLOQOLAXPES-DOMZBBRYSA-N 3 2 280.416 -0.072 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@]2(C)CC[NH2+]C2)C[NH2+]1 ZINC001219967768 824923846 /nfs/dbraw/zinc/92/38/46/824923846.db2.gz JJAODIAUVLDLPJ-VDDIYKPWSA-N 2 2 255.318 -0.994 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H]([NH3+])Cc2ccsc2)C[NH2+]1 ZINC001219965458 824923924 /nfs/dbraw/zinc/92/39/24/824923924.db2.gz OMECREPSFYOXQI-VWYCJHECSA-N 2 2 297.380 -0.362 20 0 CBADLP COC(=O)CNC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001219975714 824928168 /nfs/dbraw/zinc/92/81/68/824928168.db2.gz VUGFEIPPDNQJGO-JTQLQIEISA-N 2 2 251.286 -0.452 20 0 CBADLP C[N@@H+]1CCC[C@@H](CCNC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)C1 ZINC001219980889 824928898 /nfs/dbraw/zinc/92/88/98/824928898.db2.gz QKCLIFGQTYXLOD-XDQVBPFNSA-N 3 2 280.416 -0.216 20 0 CBADLP C[N@H+]1CCC[C@@H](CCNC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)C1 ZINC001219980889 824928906 /nfs/dbraw/zinc/92/89/06/824928906.db2.gz QKCLIFGQTYXLOD-XDQVBPFNSA-N 3 2 280.416 -0.216 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NCc1ccc(-c2ncon2)cc1 ZINC001220005372 824932832 /nfs/dbraw/zinc/93/28/32/824932832.db2.gz YMOLDXAPLIVUOY-RYUDHWBXSA-N 2 2 287.323 -0.101 20 0 CBADLP C[NH+]1CC(NC(=O)[C@H]2CO[C@@]3(C2)CCC[NH2+]CC3)C1 ZINC001220013212 824935041 /nfs/dbraw/zinc/93/50/41/824935041.db2.gz LCLXFKJFNJNPLE-RISCZKNCSA-N 2 2 267.373 -0.035 20 0 CBADLP CC(C)[C@](C)(NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2)C(N)=O ZINC001220022877 824937916 /nfs/dbraw/zinc/93/79/16/824937916.db2.gz OOYLGKUMHBEROC-PNZRWIHMSA-N 2 2 268.361 -0.776 20 0 CBADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)NCc1ccc[nH]1 ZINC001220032982 824939815 /nfs/dbraw/zinc/93/98/15/824939815.db2.gz GPUQMUDJSJQLCM-GFCCVEGCSA-N 2 2 265.361 -0.619 20 0 CBADLP CCOC(=O)C(C)(C)NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220064203 824948198 /nfs/dbraw/zinc/94/81/98/824948198.db2.gz VTINLAZAZFDNMP-LPEHRKFASA-N 2 2 269.345 -0.606 20 0 CBADLP COCC1(NC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)CCC1 ZINC001220063953 824949083 /nfs/dbraw/zinc/94/90/83/824949083.db2.gz KSAYOHXIRDSCOR-GARJFASQSA-N 2 2 253.346 -0.378 20 0 CBADLP COCC1(NC(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)CCC1 ZINC001220064084 824949462 /nfs/dbraw/zinc/94/94/62/824949462.db2.gz QKYYZHBYUTUDIJ-GWCFXTLKSA-N 2 2 253.346 -0.377 20 0 CBADLP COC(=O)[C@@H]([NH3+])CCC(=O)NCc1ccc(N)[nH+]c1C ZINC001220070045 824950340 /nfs/dbraw/zinc/95/03/40/824950340.db2.gz XQAGEEANHLKFSO-JTQLQIEISA-N 2 2 280.328 -0.131 20 0 CBADLP COC(=O)[C@H](CCSC)NC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001220079744 824950562 /nfs/dbraw/zinc/95/05/62/824950562.db2.gz YJKZAMFRRWCTDU-VIFPVBQESA-N 2 2 289.401 -0.522 20 0 CBADLP Cc1cnc(=O)[nH]c1NC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001220123145 824959904 /nfs/dbraw/zinc/95/99/04/824959904.db2.gz XHQFMSVTDIPEPK-UHFFFAOYSA-N 2 2 265.317 -0.229 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N[C@@H](CO)Cc2ccc(O)cc2)C1 ZINC001220118285 824960306 /nfs/dbraw/zinc/96/03/06/824960306.db2.gz VEKPWKJUSLLIDN-WZRBSPASSA-N 2 2 279.340 -0.899 20 0 CBADLP O=C(NCC1(F)CCOCC1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220136885 824963239 /nfs/dbraw/zinc/96/32/39/824963239.db2.gz KEVMQJHVBMEGNV-GXFFZTMASA-N 2 2 271.336 -0.427 20 0 CBADLP O=C(NCC1(F)CCOCC1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220136791 824963645 /nfs/dbraw/zinc/96/36/45/824963645.db2.gz HKIDJQRCAAVOEK-GARJFASQSA-N 2 2 271.336 -0.429 20 0 CBADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)NCCOC(F)(F)F ZINC001220138717 824965015 /nfs/dbraw/zinc/96/50/15/824965015.db2.gz DQUMVVLEKRQNIH-SECBINFHSA-N 2 2 298.309 -0.611 20 0 CBADLP CO[C@@H]1COCC[C@H]1NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220140769 824965339 /nfs/dbraw/zinc/96/53/39/824965339.db2.gz AMOBFEYDOKGXNR-GMTAPVOTSA-N 2 2 268.317 -0.800 20 0 CBADLP CO[C@@H]1COCC[C@H]1NC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001220141145 824966846 /nfs/dbraw/zinc/96/68/46/824966846.db2.gz IISYPOCPTHOAQL-QJPTWQEYSA-N 2 2 282.344 -0.790 20 0 CBADLP O=C(NCc1cc[nH]c(=O)c1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220148417 824969182 /nfs/dbraw/zinc/96/91/82/824969182.db2.gz ZYFZBPIBDWVJAZ-ZWNOBZJWSA-N 2 2 262.313 -0.645 20 0 CBADLP N=C(NC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2)c1nccs1 ZINC001220154091 824970420 /nfs/dbraw/zinc/97/04/20/824970420.db2.gz KPCUGINFMRTRJV-HQJQHLMTSA-N 2 2 265.342 -0.464 20 0 CBADLP N=C(NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2)c1nccs1 ZINC001220154721 824971143 /nfs/dbraw/zinc/97/11/43/824971143.db2.gz XYNABVPNXCKQLF-AMXGMDGSSA-N 2 2 265.342 -0.194 20 0 CBADLP C[N@@H+]1CCC[C@H](NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)C1 ZINC001220156920 824973287 /nfs/dbraw/zinc/97/32/87/824973287.db2.gz PWEWKQDPXOCRDO-WGBDABJCSA-N 3 2 252.362 -0.581 20 0 CBADLP C[N@H+]1CCC[C@H](NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)C1 ZINC001220156920 824973290 /nfs/dbraw/zinc/97/32/90/824973290.db2.gz PWEWKQDPXOCRDO-WGBDABJCSA-N 3 2 252.362 -0.581 20 0 CBADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N[C@H]2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC001220161579 824974334 /nfs/dbraw/zinc/97/43/34/824974334.db2.gz DHKMWSDXOKYIHI-MNXVOIDGSA-N 3 2 266.389 -0.286 20 0 CBADLP O=C(N[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220163382 824974569 /nfs/dbraw/zinc/97/45/69/824974569.db2.gz QFLBUBFJIFHSCU-OJKRMQCYSA-N 3 2 292.427 -0.025 20 0 CBADLP N=C(NC(=O)C1([NH3+])CC[NH2+]CC1)c1ccc(F)cn1 ZINC001220170847 824976684 /nfs/dbraw/zinc/97/66/84/824976684.db2.gz WQKKDEFCBMPIQD-UHFFFAOYSA-N 2 2 265.292 -0.257 20 0 CBADLP CC(=O)OC[C@H]([NH3+])C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC001220186044 824982086 /nfs/dbraw/zinc/98/20/86/824982086.db2.gz LXJILNRYVRNWEK-BDAKNGLRSA-N 2 2 279.287 -0.762 20 0 CBADLP N[C@]1(C(=O)NC[C@H]2CC[NH2+]CC2(F)F)CC[NH2+]C1 ZINC001220189852 824982602 /nfs/dbraw/zinc/98/26/02/824982602.db2.gz WVHUCINPNQXZNB-PSASIEDQSA-N 2 2 262.304 -0.962 20 0 CBADLP CC(=O)OC[C@H]([NH3+])C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC001220186045 824982809 /nfs/dbraw/zinc/98/28/09/824982809.db2.gz LXJILNRYVRNWEK-IUCAKERBSA-N 2 2 279.287 -0.762 20 0 CBADLP [NH3+]CCCC[C@H]([NH3+])C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC001220186790 824983566 /nfs/dbraw/zinc/98/35/66/824983566.db2.gz VFLXVLLZSZKNDJ-ZJUUUORDSA-N 3 2 278.347 -0.196 20 0 CBADLP [NH3+][C@H](C(=O)NCC1([NH+]2CCCC2)COC1)C1CC[NH2+]CC1 ZINC001220197889 824984743 /nfs/dbraw/zinc/98/47/43/824984743.db2.gz VHXXDCKAHPGXQE-ZDUSSCGKSA-N 3 2 296.415 -0.706 20 0 CBADLP C[C@]1(C(=O)NCC2([NH+]3CCCC3)COC2)CC[NH2+]C1 ZINC001220197909 824985029 /nfs/dbraw/zinc/98/50/29/824985029.db2.gz VQNWOOZLBQSIST-ZDUSSCGKSA-N 2 2 267.373 -0.033 20 0 CBADLP NC1(C(=O)NCC2([NH+]3CCCC3)COC2)CC[NH2+]CC1 ZINC001220197455 824985320 /nfs/dbraw/zinc/98/53/20/824985320.db2.gz DQACRPJXYNSYGG-UHFFFAOYSA-N 2 2 282.388 -0.952 20 0 CBADLP [NH3+][C@@H](C(=O)NCC1([NH+]2CCCC2)COC1)C1CC[NH2+]CC1 ZINC001220197888 824985328 /nfs/dbraw/zinc/98/53/28/824985328.db2.gz VHXXDCKAHPGXQE-CYBMUJFWSA-N 3 2 296.415 -0.706 20 0 CBADLP COCCC[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)CC1 ZINC001220200542 824985643 /nfs/dbraw/zinc/98/56/43/824985643.db2.gz NFTIXZJZYQUYEV-YPMHNXCESA-N 3 2 284.404 -0.707 20 0 CBADLP CCOC(CCNC(=O)C1([NH3+])CC[NH2+]CC1)OCC ZINC001220231179 824991443 /nfs/dbraw/zinc/99/14/43/824991443.db2.gz XLJGCKLKMSZHJS-UHFFFAOYSA-N 2 2 273.377 -0.027 20 0 CBADLP O=C(NCCc1cnccn1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220242982 824992861 /nfs/dbraw/zinc/99/28/61/824992861.db2.gz MLKKWVPTEZIFJL-GWCFXTLKSA-N 2 2 261.329 -0.913 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NCC[C@H]1CCC[N@@H+]1C ZINC001220251672 824994628 /nfs/dbraw/zinc/99/46/28/824994628.db2.gz BDCNEFHPLCOLBV-YPMHNXCESA-N 3 2 279.388 -0.110 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NCC[C@H]1CCC[N@H+]1C ZINC001220251672 824994634 /nfs/dbraw/zinc/99/46/34/824994634.db2.gz BDCNEFHPLCOLBV-YPMHNXCESA-N 3 2 279.388 -0.110 20 0 CBADLP Cc1[nH+]c[nH]c1CSCCNC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001220257110 824997388 /nfs/dbraw/zinc/99/73/88/824997388.db2.gz NWTYEZYDIXRCBV-UWVGGRQHSA-N 2 2 284.385 -0.210 20 0 CBADLP Cc1[nH+]c[nH]c1CSCCNC(=O)[C@]1(N)CC[NH2+]C1 ZINC001220256895 824998389 /nfs/dbraw/zinc/99/83/89/824998389.db2.gz HWYZFGUENSLPIP-LBPRGKRZSA-N 2 2 283.401 -0.242 20 0 CBADLP Cc1[nH+]c[nH]c1CSCCNC(=O)[C@@H](N)C[NH3+] ZINC001220257420 824998695 /nfs/dbraw/zinc/99/86/95/824998695.db2.gz YMPYLBFFMMJPST-QMMMGPOBSA-N 2 2 257.363 -0.646 20 0 CBADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NCCn1nnc2ccccc21 ZINC001220272750 825001003 /nfs/dbraw/zinc/00/10/03/825001003.db2.gz LRFQZLDHHYJTQE-LLVKDONJSA-N 2 2 299.338 -0.159 20 0 CBADLP Cn1c[nH+]cc1CN1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220272176 825001477 /nfs/dbraw/zinc/00/14/77/825001477.db2.gz SEBPHSYSZNJQKE-OLZOCXBDSA-N 2 2 295.387 -0.967 20 0 CBADLP Cc1nocc1C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220272231 825001717 /nfs/dbraw/zinc/00/17/17/825001717.db2.gz WBOMTUDMLRBYQX-OLZOCXBDSA-N 2 2 296.371 -0.404 20 0 CBADLP Cc1nocc1C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220272231 825001723 /nfs/dbraw/zinc/00/17/23/825001723.db2.gz WBOMTUDMLRBYQX-OLZOCXBDSA-N 2 2 296.371 -0.404 20 0 CBADLP Cn1cc(CCNC(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)cn1 ZINC001220276815 825003768 /nfs/dbraw/zinc/00/37/68/825003768.db2.gz RSYAXONEXHLAHS-LBPRGKRZSA-N 2 2 276.344 -0.618 20 0 CBADLP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001220334972 825016628 /nfs/dbraw/zinc/01/66/28/825016628.db2.gz FRVWEMCCBBHFHW-AGIUHOORSA-N 3 2 268.405 -0.230 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NCCC1COC1 ZINC001220341558 825018071 /nfs/dbraw/zinc/01/80/71/825018071.db2.gz ZRBFSZRIPHZNNL-NSHDSACASA-N 2 2 252.318 -0.557 20 0 CBADLP COc1ccc(CNC(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)nn1 ZINC001220343385 825020224 /nfs/dbraw/zinc/02/02/24/825020224.db2.gz MCOAYIPSZDHTEZ-NSHDSACASA-N 2 2 290.327 -0.595 20 0 CBADLP C[C@H](NC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C)c1cnccn1 ZINC001220368768 825021437 /nfs/dbraw/zinc/02/14/37/825021437.db2.gz LYIXWQOTEJTNDV-ONGXEEELSA-N 2 2 274.328 -0.043 20 0 CBADLP CCOC(=O)C1(CNC(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)CCC1 ZINC001220371528 825021860 /nfs/dbraw/zinc/02/18/60/825021860.db2.gz VOQDLUHOIFXSRO-ABAIWWIYSA-N 2 2 295.383 -0.213 20 0 CBADLP [NH3+]Cc1ccc2c(n1)N(C(=O)C1([NH3+])CC[NH2+]CC1)CCC2 ZINC001220377471 825025362 /nfs/dbraw/zinc/02/53/62/825025362.db2.gz ZCQYNZRUAKBUSZ-UHFFFAOYSA-N 3 2 289.383 -0.100 20 0 CBADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NCC12CC[NH+](CC1)CC2 ZINC001220394260 825029144 /nfs/dbraw/zinc/02/91/44/825029144.db2.gz BMRDTLVNCSKHCM-GFCCVEGCSA-N 3 2 277.372 -0.118 20 0 CBADLP COC(=O)[C@@H]1CC[C@@H](NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)C1 ZINC001220405842 825031962 /nfs/dbraw/zinc/03/19/62/825031962.db2.gz DVVRVXOPLGQRRL-KYXWUPHJSA-N 2 2 255.318 -0.867 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NC[C@@H](CO)Cc2ccccc2)C1 ZINC001220406571 825032968 /nfs/dbraw/zinc/03/29/68/825032968.db2.gz SWDYZWHLYHPKBT-MJBXVCDLSA-N 2 2 277.368 -0.357 20 0 CBADLP CSc1nc(NC(=O)[C@@H]([NH3+])CC[NH3+])cc(=O)n1C ZINC001220436060 825038799 /nfs/dbraw/zinc/03/87/99/825038799.db2.gz QFVIQDOHCMZNJU-LURJTMIESA-N 2 2 271.346 -0.883 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NC[C@H](O)C2CCCCC2)C1 ZINC001220466862 825044546 /nfs/dbraw/zinc/04/45/46/825044546.db2.gz JKKAPAJTTDALRR-WOPDTQHZSA-N 2 2 255.362 -0.267 20 0 CBADLP [NH3+]C1(C(=O)NCC(=O)Cc2ccccc2)CC[NH2+]CC1 ZINC001220462682 825045036 /nfs/dbraw/zinc/04/50/36/825045036.db2.gz KPQLKVXOCHZBEI-UHFFFAOYSA-N 2 2 275.352 -0.005 20 0 CBADLP O=C(CNC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2)Cc1ccccc1 ZINC001220462668 825045185 /nfs/dbraw/zinc/04/51/85/825045185.db2.gz KFKDRKUVKOVWIN-BBRMVZONSA-N 2 2 287.363 -0.134 20 0 CBADLP COC(C)(CNC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)OC ZINC001220509288 825050962 /nfs/dbraw/zinc/05/09/62/825050962.db2.gz RVJCIMZIDSDPAU-VIFPVBQESA-N 2 2 256.306 -0.595 20 0 CBADLP O=C(NCC[NH+]1CC2(COC2)C1)[C@@H]1C[C@@H](F)CC[NH2+]1 ZINC001220571201 825065368 /nfs/dbraw/zinc/06/53/68/825065368.db2.gz LQFSCCQVYDQWQS-QWRGUYRKSA-N 2 2 271.336 -0.475 20 0 CBADLP CC(C)(O)CCCNC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220573467 825068601 /nfs/dbraw/zinc/06/86/01/825068601.db2.gz MNXIBZSGIVSMAJ-JTQLQIEISA-N 2 2 254.334 -0.053 20 0 CBADLP COC(=O)[C@H](NC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2)C(F)(F)F ZINC001220588457 825070225 /nfs/dbraw/zinc/07/02/25/825070225.db2.gz UAWAQVYJDZAYGU-MHYGZLNHSA-N 2 2 295.261 -0.842 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N[C@H]1CNc2ccccc2C1 ZINC001220601158 825075969 /nfs/dbraw/zinc/07/59/69/825075969.db2.gz DQZSUHHPTQPJCX-WOPDTQHZSA-N 2 2 260.341 -0.314 20 0 CBADLP CC(C)(F)c1ncncc1CNC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001220674241 825085259 /nfs/dbraw/zinc/08/52/59/825085259.db2.gz VVYYRAVBTKSVFG-ZJUUUORDSA-N 2 2 281.335 -0.013 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NCCc1cnc(N)s1 ZINC001220704897 825088516 /nfs/dbraw/zinc/08/85/16/825088516.db2.gz XEWGCBAFUOGZPJ-JTQLQIEISA-N 2 2 294.384 -0.313 20 0 CBADLP CC(C)(C)NC(=O)CCNC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220708790 825089833 /nfs/dbraw/zinc/08/98/33/825089833.db2.gz HIOIAPDEIUMKHL-SNVBAGLBSA-N 2 2 281.360 -0.300 20 0 CBADLP C[C@](CO)(NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])c1ccccc1 ZINC001220711557 825090755 /nfs/dbraw/zinc/09/07/55/825090755.db2.gz PJJCLMZRGJSNLV-SGMGOOAPSA-N 2 2 263.341 -0.443 20 0 CBADLP C[C@](CO)(NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)c1ccccc1 ZINC001220710812 825091991 /nfs/dbraw/zinc/09/19/91/825091991.db2.gz CNWLGBUIRJAZPX-MBNYWOFBSA-N 2 2 263.341 -0.301 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001220725525 825093569 /nfs/dbraw/zinc/09/35/69/825093569.db2.gz TWNDKRRVOBPBHD-OLZOCXBDSA-N 3 2 286.420 -0.330 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001220725525 825093574 /nfs/dbraw/zinc/09/35/74/825093574.db2.gz TWNDKRRVOBPBHD-OLZOCXBDSA-N 3 2 286.420 -0.330 20 0 CBADLP C[NH2+][C@@H](CCCC[NH3+])C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC001220725190 825094401 /nfs/dbraw/zinc/09/44/01/825094401.db2.gz NWDNUURSDHXHBI-OLZOCXBDSA-N 3 2 286.420 -0.460 20 0 CBADLP C[NH2+][C@@H](CCCC[NH3+])C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC001220725190 825094404 /nfs/dbraw/zinc/09/44/04/825094404.db2.gz NWDNUURSDHXHBI-OLZOCXBDSA-N 3 2 286.420 -0.460 20 0 CBADLP COC(CCCNC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1)OC ZINC001220741818 825095544 /nfs/dbraw/zinc/09/55/44/825095544.db2.gz RUVZUCWPQRTIKK-SNVBAGLBSA-N 2 2 270.333 -0.205 20 0 CBADLP CC(=O)NCCCCCNC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220758688 825097100 /nfs/dbraw/zinc/09/71/00/825097100.db2.gz JIGOTMOZMAISPB-GFCCVEGCSA-N 2 2 281.360 -0.298 20 0 CBADLP CC(=O)NC[C@H](C)CNC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001220757038 825097148 /nfs/dbraw/zinc/09/71/48/825097148.db2.gz QYRBSCYGSDRRFG-WHIUSJLISA-N 2 2 268.361 -0.903 20 0 CBADLP O=C(NCCC1CCC(O)CC1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220757132 825097353 /nfs/dbraw/zinc/09/73/53/825097353.db2.gz VEIRIHPNWBMGOS-YCKYNJIMSA-N 2 2 281.400 -0.006 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCCC2CCC(O)CC2)C1 ZINC001220759087 825097631 /nfs/dbraw/zinc/09/76/31/825097631.db2.gz ODDZYUHEUKSDJX-RSJDFQLWSA-N 2 2 255.362 -0.267 20 0 CBADLP CC(=O)NCCCCCNC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001220758242 825097792 /nfs/dbraw/zinc/09/77/92/825097792.db2.gz CNSDSMIJZAOHRE-UHFFFAOYSA-N 2 2 270.377 -0.510 20 0 CBADLP CC(=O)NCCCCCNC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220759421 825098055 /nfs/dbraw/zinc/09/80/55/825098055.db2.gz ZJWCZDGCFNHNHT-TZMCWYRMSA-N 2 2 282.388 -0.640 20 0 CBADLP CC1(C)[C@H](O)C[C@@H]1NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001220767000 825099717 /nfs/dbraw/zinc/09/97/17/825099717.db2.gz ZJOUBMSHRACUJB-YANYRWCTSA-N 2 2 253.346 -0.516 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N[C@@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001220802945 825103938 /nfs/dbraw/zinc/10/39/38/825103938.db2.gz AJMFLVTVLCATRW-UYXSQOIJSA-N 3 2 280.294 -0.810 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N[C@@H]2CC[NH2+]C[C@H]2C(F)(F)F)C1 ZINC001220806041 825104197 /nfs/dbraw/zinc/10/41/97/825104197.db2.gz XEXRLXJMJRDRRX-BGZDPUMWSA-N 3 2 280.294 -0.668 20 0 CBADLP COc1cc(CNC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])cc(OC)c1O ZINC001220812164 825106033 /nfs/dbraw/zinc/10/60/33/825106033.db2.gz FZCVAQSLRJJDDM-UWVGGRQHSA-N 2 2 295.339 -0.428 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCc2ccc(O)cc2F)C1 ZINC001220822230 825106247 /nfs/dbraw/zinc/10/62/47/825106247.db2.gz YPYJGQOTJYOWSH-KCJUWKMLSA-N 2 2 253.277 -0.163 20 0 CBADLP CCOC(=O)C1=C(NC(=O)CCc2[nH]cc[nH+]2)C[NH2+]C1 ZINC001220825432 825106804 /nfs/dbraw/zinc/10/68/04/825106804.db2.gz HJMNJNZYELEUGJ-UHFFFAOYSA-N 2 2 278.312 -0.121 20 0 CBADLP CCOC(=O)C1=C(NC(=O)CCn2cc[nH+]c2)C[NH2+]C1 ZINC001220825644 825107209 /nfs/dbraw/zinc/10/72/09/825107209.db2.gz PKVONCQYZKRYFW-UHFFFAOYSA-N 2 2 278.312 -0.190 20 0 CBADLP COC(=O)c1cncc(CNC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)c1 ZINC001220843596 825110757 /nfs/dbraw/zinc/11/07/57/825110757.db2.gz ZUTACKHSYJHEFN-MNOVXSKESA-N 2 2 278.312 -0.826 20 0 CBADLP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001220857710 825113487 /nfs/dbraw/zinc/11/34/87/825113487.db2.gz ORCICPARPDVFSN-DNJQJEMRSA-N 3 2 254.378 -0.302 20 0 CBADLP [NH3+]Cc1ccccc1CNC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001220855160 825113669 /nfs/dbraw/zinc/11/36/69/825113669.db2.gz OKWVNCNFNCEZRP-NFAWXSAZSA-N 3 2 274.368 -0.017 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NCCO[C@@H]1CCCCO1 ZINC001220862409 825114803 /nfs/dbraw/zinc/11/48/03/825114803.db2.gz ZVQSNTQANIBOOE-GARJFASQSA-N 2 2 257.334 -0.808 20 0 CBADLP COC[C@H](NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)[C@@H](O)c1ccccc1 ZINC001220865715 825115565 /nfs/dbraw/zinc/11/55/65/825115565.db2.gz IOGHRPZRHFHKDO-RFGFWPKPSA-N 2 2 293.367 -0.460 20 0 CBADLP COc1cncc(CNC(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)c1 ZINC001220871305 825116599 /nfs/dbraw/zinc/11/65/99/825116599.db2.gz ZMMYXYRZFDEGBQ-RISCZKNCSA-N 2 2 276.340 -0.342 20 0 CBADLP COc1cncc(CNC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)c1 ZINC001220870823 825116643 /nfs/dbraw/zinc/11/66/43/825116643.db2.gz QCFQPFUHLNFJRJ-WCFLWFBJSA-N 2 2 276.340 -0.344 20 0 CBADLP CCC[C@@H](CCO)NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220868815 825117374 /nfs/dbraw/zinc/11/73/74/825117374.db2.gz VHQFKDKEEYZBPQ-FIQHERPVSA-N 2 2 255.362 -0.396 20 0 CBADLP COc1cncc(CNC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)c1 ZINC001220871120 825117442 /nfs/dbraw/zinc/11/74/42/825117442.db2.gz TYRCDYAQNKZFTH-LBPRGKRZSA-N 2 2 275.312 -0.001 20 0 CBADLP COc1cncc(CNC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)c1 ZINC001220872123 825117711 /nfs/dbraw/zinc/11/77/11/825117711.db2.gz KWXZUSQIIFIBCK-KOLCDFICSA-N 2 2 250.302 -0.604 20 0 CBADLP COC(=O)C[C@@H](NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)c1ccccn1 ZINC001220900521 825122697 /nfs/dbraw/zinc/12/26/97/825122697.db2.gz LZZUDXHFCUGXDQ-JLLWLGSASA-N 2 2 292.339 -0.509 20 0 CBADLP [NH3+]CCC[C@@H]([NH3+])C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC001220933824 825125601 /nfs/dbraw/zinc/12/56/01/825125601.db2.gz BBQHPCFMAVDGBY-VXGBXAGGSA-N 3 2 277.372 -0.157 20 0 CBADLP N[C@@]1(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CCC[NH2+]C1 ZINC001220934881 825125824 /nfs/dbraw/zinc/12/58/24/825125824.db2.gz YBRSERNDBYTGRB-DOMZBBRYSA-N 2 2 289.383 -0.143 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N[C@@H]2CCN(c3ccccn3)C2)C1 ZINC001220934756 825125931 /nfs/dbraw/zinc/12/59/31/825125931.db2.gz VKYFVPVHKDBHFP-UTUOFQBUSA-N 2 2 275.356 -0.534 20 0 CBADLP COC[C@H](NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)C1CC1 ZINC001221013097 825137277 /nfs/dbraw/zinc/13/72/77/825137277.db2.gz KPWUNGCJXMLLRL-YFKTTZPYSA-N 2 2 253.346 -0.523 20 0 CBADLP O=C(NCc1cn(CC2CC2)cn1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001221023220 825138138 /nfs/dbraw/zinc/13/81/38/825138138.db2.gz DYNPQVILSSVVMA-IUODEOHRSA-N 2 2 289.383 -0.139 20 0 CBADLP COC(=O)c1ccc(CNC(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)[nH]1 ZINC001221079895 825141196 /nfs/dbraw/zinc/14/11/96/825141196.db2.gz NJUMMZOHHRIYEH-YMTOWFKASA-N 2 2 292.339 -0.631 20 0 CBADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NC1(c2cnccn2)CC1 ZINC001221082200 825141668 /nfs/dbraw/zinc/14/16/68/825141668.db2.gz LGTHILINBSSIHW-JTQLQIEISA-N 2 2 272.312 -0.125 20 0 CBADLP COC(=O)c1ccc(CNC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)[nH]1 ZINC001221079486 825142002 /nfs/dbraw/zinc/14/20/02/825142002.db2.gz BVKXFALGCAYEQW-XCBNKYQSSA-N 2 2 266.301 -0.893 20 0 CBADLP COC(=O)c1ccc(CNC(=O)C2([NH3+])CC[NH2+]CC2)[nH]1 ZINC001221079564 825142220 /nfs/dbraw/zinc/14/22/20/825142220.db2.gz FGVLEKAMHSWTJW-UHFFFAOYSA-N 2 2 280.328 -0.502 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NC2(c3cccnc3)CC[NH2+]CC2)C1 ZINC001221123960 825144660 /nfs/dbraw/zinc/14/46/60/825144660.db2.gz QIJJSMAHVLWDSV-OLZOCXBDSA-N 3 2 289.383 -0.534 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCc2cn(CC(F)(F)F)cn2)C1 ZINC001221146998 825147926 /nfs/dbraw/zinc/14/79/26/825147926.db2.gz VOGYWIPLOZEEFF-APPZFPTMSA-N 2 2 291.277 -0.249 20 0 CBADLP C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@@H](O)C1 ZINC001221161333 825149094 /nfs/dbraw/zinc/14/90/94/825149094.db2.gz HDKHNQIBSZTWCS-UPJWGTAASA-N 2 2 296.371 -0.795 20 0 CBADLP C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@@H](O)C1 ZINC001221161333 825149101 /nfs/dbraw/zinc/14/91/01/825149101.db2.gz HDKHNQIBSZTWCS-UPJWGTAASA-N 2 2 296.371 -0.795 20 0 CBADLP CCn1cc(NC(=O)C2([NH3+])CC[NH2+]CC2)ccc1=O ZINC001221176491 825149843 /nfs/dbraw/zinc/14/98/43/825149843.db2.gz ARQOITFDZCRGCO-UHFFFAOYSA-N 2 2 264.329 -0.112 20 0 CBADLP COCC1(CNC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)CCOCC1 ZINC001221176991 825151669 /nfs/dbraw/zinc/15/16/69/825151669.db2.gz WVRNZDLVHWRLQI-GFCCVEGCSA-N 2 2 296.371 -0.161 20 0 CBADLP CC(C)(C)[NH+]1CC(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001221195745 825155043 /nfs/dbraw/zinc/15/50/43/825155043.db2.gz FUQQZYPPMHKEIN-ZDUSSCGKSA-N 3 2 297.447 -0.664 20 0 CBADLP O=C(NCc1cc2ccccn2n1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001221235064 825159304 /nfs/dbraw/zinc/15/93/04/825159304.db2.gz PTWVHJKJRMGOFD-IAQYHMDHSA-N 2 2 285.351 -0.098 20 0 CBADLP C[N@@H+]1CCC[C@](C)(NC(=O)[C@@H](N)C[NH+]2CCC([NH3+])CC2)C1 ZINC001221243747 825160070 /nfs/dbraw/zinc/16/00/70/825160070.db2.gz MGLGPWIEKITUKQ-ZFWWWQNUSA-N 3 2 297.447 -0.663 20 0 CBADLP C[N@H+]1CCC[C@](C)(NC(=O)[C@@H](N)C[NH+]2CCC([NH3+])CC2)C1 ZINC001221243747 825160074 /nfs/dbraw/zinc/16/00/74/825160074.db2.gz MGLGPWIEKITUKQ-ZFWWWQNUSA-N 3 2 297.447 -0.663 20 0 CBADLP CCOC(=O)/C=C(/NC(=O)C1([NH3+])CC[NH2+]CC1)OCC ZINC001221262700 825163185 /nfs/dbraw/zinc/16/31/85/825163185.db2.gz NEXRLKYCCBWZRI-KTKRTIGZSA-N 2 2 285.344 -0.376 20 0 CBADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)NCCCCCO ZINC001221285500 825167482 /nfs/dbraw/zinc/16/74/82/825167482.db2.gz PSFGAWCMMAMXCO-LBPRGKRZSA-N 2 2 272.393 -0.984 20 0 CBADLP CC(C)(C)[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H](N)C[NH3+] ZINC001221359621 825176654 /nfs/dbraw/zinc/17/66/54/825176654.db2.gz XVRZWYZKGSFGNN-WDEREUQCSA-N 2 2 272.393 -0.865 20 0 CBADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)NC[C@H]2CNC(=O)O2)cc1 ZINC001221371024 825177159 /nfs/dbraw/zinc/17/71/59/825177159.db2.gz VQDYZKXCWXWHNI-QWRGUYRKSA-N 2 2 278.312 -0.517 20 0 CBADLP N[C@@]1(C(=O)NCCOc2cc[nH+]cc2)CC[NH2+]C1 ZINC001221393822 825181893 /nfs/dbraw/zinc/18/18/93/825181893.db2.gz NYZPRQNVKJOXPA-LBPRGKRZSA-N 2 2 250.302 -0.733 20 0 CBADLP NC(=O)NCCC[C@@H]([NH3+])C(=O)NCCOc1cc[nH+]cc1 ZINC001221393931 825181927 /nfs/dbraw/zinc/18/19/27/825181927.db2.gz SBNRXDZWTVZNCT-LLVKDONJSA-N 2 2 295.343 -0.648 20 0 CBADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC001221399138 825182737 /nfs/dbraw/zinc/18/27/37/825182737.db2.gz MISKLZSROFZCPY-IHRRRGAJSA-N 3 2 274.368 -0.494 20 0 CBADLP COc1cccc([C@@H](C[NH3+])NC(=O)[C@@H]2C[C@H]([NH3+])C[NH2+]2)c1 ZINC001221402709 825183399 /nfs/dbraw/zinc/18/33/99/825183399.db2.gz CTQHZEYYUYAOLU-WCFLWFBJSA-N 3 2 278.356 -0.500 20 0 CBADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](C1CCC1)C1C[NH2+]C1 ZINC001221411866 825187656 /nfs/dbraw/zinc/18/76/56/825187656.db2.gz YHLRHSLWWABMMY-CHWSQXEVSA-N 3 2 277.372 -0.216 20 0 CBADLP CN(C)C(=O)C[NH2+][C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001222097415 825201121 /nfs/dbraw/zinc/20/11/21/825201121.db2.gz ANOMEDMYBNQDFD-GFCCVEGCSA-N 2 2 293.371 -0.448 20 0 CBADLP C[NH+]1CCN(C(=O)CO[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001222543723 825217149 /nfs/dbraw/zinc/21/71/49/825217149.db2.gz UKNYFJLFCKNBTL-LBPRGKRZSA-N 2 2 278.356 -0.012 20 0 CBADLP O=C(CCc1[nH]cc[nH+]1)NC1CC[NH+](CCO)CC1 ZINC001227138808 825297457 /nfs/dbraw/zinc/29/74/57/825297457.db2.gz SDNSJYQNHDZHBO-UHFFFAOYSA-N 2 2 266.345 -0.085 20 0 CBADLP COC[C@@H](O)C[NH+]1CCC(NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001229722806 825335717 /nfs/dbraw/zinc/33/57/17/825335717.db2.gz ARGNOXNTYUQEKM-LBPRGKRZSA-N 2 2 296.371 -0.460 20 0 CBADLP Cc1ncc(CO)c(C[N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)c1O ZINC001235058884 825484813 /nfs/dbraw/zinc/48/48/13/825484813.db2.gz AOZUGZXBBGXOMC-HNNXBMFYSA-N 2 2 292.383 -0.275 20 0 CBADLP Cc1ncc(CO)c(C[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)c1O ZINC001235058884 825484820 /nfs/dbraw/zinc/48/48/20/825484820.db2.gz AOZUGZXBBGXOMC-HNNXBMFYSA-N 2 2 292.383 -0.275 20 0 CBADLP CNC(=O)CO[C@@H]1CO[C@@]2(C1)CCC[N@H+](C[C@H](C)[NH3+])C2 ZINC001235517683 825499013 /nfs/dbraw/zinc/49/90/13/825499013.db2.gz PYZGWJBDFDOYOX-SGMGOOAPSA-N 2 2 285.388 -0.280 20 0 CBADLP CNC(=O)CO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](C[C@H](C)[NH3+])C2 ZINC001235517683 825499014 /nfs/dbraw/zinc/49/90/14/825499014.db2.gz PYZGWJBDFDOYOX-SGMGOOAPSA-N 2 2 285.388 -0.280 20 0 CBADLP C[NH+](C)CCNC(=O)c1noc2c1C[N@H+](CCO)CC2 ZINC001235521451 825502007 /nfs/dbraw/zinc/50/20/07/825502007.db2.gz LZDCOCWTQRAKPK-UHFFFAOYSA-N 2 2 282.344 -0.684 20 0 CBADLP C[NH+](C)CCNC(=O)c1noc2c1C[N@@H+](CCO)CC2 ZINC001235521451 825502010 /nfs/dbraw/zinc/50/20/10/825502010.db2.gz LZDCOCWTQRAKPK-UHFFFAOYSA-N 2 2 282.344 -0.684 20 0 CBADLP CS(=O)(=O)N1CCC(C[N@@H+]2C[C@H]3C[C@@]3([NH3+])C2)CC1 ZINC001236013781 825519432 /nfs/dbraw/zinc/51/94/32/825519432.db2.gz BVXQAONXYYGSOF-VXGBXAGGSA-N 2 2 273.402 -0.309 20 0 CBADLP CS(=O)(=O)N1CCC(C[N@H+]2C[C@H]3C[C@@]3([NH3+])C2)CC1 ZINC001236013781 825519441 /nfs/dbraw/zinc/51/94/41/825519441.db2.gz BVXQAONXYYGSOF-VXGBXAGGSA-N 2 2 273.402 -0.309 20 0 CBADLP [NH3+][C@@H]1NC(CN2C[C@H]3COC[C@@H](C2)C3[NH3+])=CS1 ZINC001235994706 825520029 /nfs/dbraw/zinc/52/00/29/825520029.db2.gz VOAJUOHVXANEIQ-SMYWFIIOSA-N 2 2 256.375 -0.688 20 0 CBADLP NC(=O)C1CC[NH+](C2CC[NH+](CCO)CC2)CC1 ZINC001236040338 825520802 /nfs/dbraw/zinc/52/08/02/825520802.db2.gz BAUURDRPSOBSRM-UHFFFAOYSA-N 2 2 255.362 -0.360 20 0 CBADLP COC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1c(C)[nH+]cn1C ZINC001236202657 825526013 /nfs/dbraw/zinc/52/60/13/825526013.db2.gz WJUIFPKIUGAVHQ-ZJUUUORDSA-N 2 2 252.318 -0.197 20 0 CBADLP COC(=O)[C@@H]1C[N@H+](CCC23CC([NH3+])(C2)C3)C[C@@H]1[NH3+] ZINC001236343230 825528765 /nfs/dbraw/zinc/52/87/65/825528765.db2.gz OYHGDFCTJZEXRQ-PGKBUCCNSA-N 3 2 253.346 -0.310 20 0 CBADLP COC(=O)[C@@H]1C[N@@H+](CCC23CC([NH3+])(C2)C3)C[C@@H]1[NH3+] ZINC001236343230 825528776 /nfs/dbraw/zinc/52/87/76/825528776.db2.gz OYHGDFCTJZEXRQ-PGKBUCCNSA-N 3 2 253.346 -0.310 20 0 CBADLP CCn1c[nH+]cc1CN1C[C@@H]([NH3+])[C@@H](C(=O)OC)C1 ZINC001236350934 825530311 /nfs/dbraw/zinc/53/03/11/825530311.db2.gz KUEDQNCBAZUHCU-WDEREUQCSA-N 2 2 252.318 -0.165 20 0 CBADLP CCOC(=O)[C@@H]1C[N@H+](C[C@@H](C)[NH3+])CCC12C[NH2+]C2 ZINC001237411913 825535431 /nfs/dbraw/zinc/53/54/31/825535431.db2.gz QVFIYBDRJXYRFI-MNOVXSKESA-N 3 2 255.362 -0.192 20 0 CBADLP CCOC(=O)[C@@H]1C[N@@H+](C[C@@H](C)[NH3+])CCC12C[NH2+]C2 ZINC001237411913 825535436 /nfs/dbraw/zinc/53/54/36/825535436.db2.gz QVFIYBDRJXYRFI-MNOVXSKESA-N 3 2 255.362 -0.192 20 0 CBADLP CCOC(=O)[C@H]1C[N@H+](C[C@H](C)[NH3+])CCC12C[NH2+]C2 ZINC001237411916 825535473 /nfs/dbraw/zinc/53/54/73/825535473.db2.gz QVFIYBDRJXYRFI-WDEREUQCSA-N 3 2 255.362 -0.192 20 0 CBADLP CCOC(=O)[C@H]1C[N@@H+](C[C@H](C)[NH3+])CCC12C[NH2+]C2 ZINC001237411916 825535476 /nfs/dbraw/zinc/53/54/76/825535476.db2.gz QVFIYBDRJXYRFI-WDEREUQCSA-N 3 2 255.362 -0.192 20 0 CBADLP [NH3+]CCS(=O)(=O)NCC[NH+]1CCC(F)(F)CC1 ZINC001238761607 825563383 /nfs/dbraw/zinc/56/33/83/825563383.db2.gz PZQFLLOACKBRTO-UHFFFAOYSA-N 2 2 271.333 -0.404 20 0 CBADLP Cc1cc(Cl)ncc1S(=O)(=O)NCC[NH2+]CC[NH3+] ZINC001238839447 825566564 /nfs/dbraw/zinc/56/65/64/825566564.db2.gz RUHLGRYZTLZGGP-UHFFFAOYSA-N 2 2 292.792 -0.130 20 0 CBADLP Cc1cccc(S(=O)(=O)NCC[NH2+]CC[NH3+])c1F ZINC001238838482 825566726 /nfs/dbraw/zinc/56/67/26/825566726.db2.gz KHRAIGKLGNNMMA-UHFFFAOYSA-N 2 2 275.349 -0.039 20 0 CBADLP Cc1cc(S(=O)(=O)NCC[NH2+]CC[NH3+])cnc1Cl ZINC001238838466 825566901 /nfs/dbraw/zinc/56/69/01/825566901.db2.gz KGOLLBRNYVDDPT-UHFFFAOYSA-N 2 2 292.792 -0.130 20 0 CBADLP [NH3+]CCS(=O)(=O)NCc1c[nH+]cn1CC1CC1 ZINC001238852559 825568548 /nfs/dbraw/zinc/56/85/48/825568548.db2.gz NHZNGPATMGAROD-UHFFFAOYSA-N 2 2 258.347 -0.329 20 0 CBADLP [NH3+]CCS(=O)(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC001239101989 825587611 /nfs/dbraw/zinc/58/76/11/825587611.db2.gz YCKLZMLGTOHTNF-UHFFFAOYSA-N 2 2 258.347 -0.192 20 0 CBADLP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]C1CN(C2CC[NH2+]CC2)C1 ZINC001245987928 825618223 /nfs/dbraw/zinc/61/82/23/825618223.db2.gz FZPGVFVLKYMTSE-AWEZNQCLSA-N 3 2 284.448 -0.239 20 0 CBADLP O[C@@H](C[NH2+][C@H]1C[NH2+]CC12CC2)CC1(O)CC[NH2+]CC1 ZINC001245988393 825618254 /nfs/dbraw/zinc/61/82/54/825618254.db2.gz VSAHDORYIYRZRN-NEPJUHHUSA-N 3 2 269.389 -0.807 20 0 CBADLP CCCOC[C@H](O)C[NH2+][C@@H](C(=O)OC)C1CC[NH2+]CC1 ZINC001245999541 825619092 /nfs/dbraw/zinc/61/90/92/825619092.db2.gz AKFKJQVSNFFVJA-CHWSQXEVSA-N 2 2 288.388 -0.095 20 0 CBADLP C[C@@H]1CC[C@H](CNC[C@@H](O)C[NH+]2CCOCC2)[NH2+]C1 ZINC001245994184 825619951 /nfs/dbraw/zinc/61/99/51/825619951.db2.gz QMKASMOCDWTQSQ-MGPQQGTHSA-N 2 2 271.405 -0.343 20 0 CBADLP Cc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2C[NH2+]CCN2)cc1 ZINC001246015068 825621022 /nfs/dbraw/zinc/62/10/22/825621022.db2.gz OIXCGLOHJMQPEB-KBPBESRZSA-N 2 2 279.384 -0.114 20 0 CBADLP Cc1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1C[NH2+]CCN1 ZINC001246017789 825623123 /nfs/dbraw/zinc/62/31/23/825623123.db2.gz ZQWPIJKGCKONRU-UONOGXRCSA-N 2 2 279.384 -0.114 20 0 CBADLP C[C@@H]1CC[N@H+](C[C@@H](O)CC2(O)CC[NH2+]CC2)C[C@@H]1[NH3+] ZINC001246017981 825623248 /nfs/dbraw/zinc/62/32/48/825623248.db2.gz CADZLCWGBQKODS-AGIUHOORSA-N 3 2 271.405 -0.479 20 0 CBADLP C[C@@H]1CC[N@@H+](C[C@@H](O)CC2(O)CC[NH2+]CC2)C[C@@H]1[NH3+] ZINC001246017981 825623252 /nfs/dbraw/zinc/62/32/52/825623252.db2.gz CADZLCWGBQKODS-AGIUHOORSA-N 3 2 271.405 -0.479 20 0 CBADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](C[C@@H](O)CC2(O)CC[NH2+]CC2)C1 ZINC001246026580 825625871 /nfs/dbraw/zinc/62/58/71/825625871.db2.gz WGHIUPKLJXDBMO-MCIONIFRSA-N 3 2 285.432 -0.089 20 0 CBADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](C[C@@H](O)CC2(O)CC[NH2+]CC2)C1 ZINC001246026580 825625876 /nfs/dbraw/zinc/62/58/76/825625876.db2.gz WGHIUPKLJXDBMO-MCIONIFRSA-N 3 2 285.432 -0.089 20 0 CBADLP COC(=O)[C@@H](O)C[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246025032 825626310 /nfs/dbraw/zinc/62/63/10/825626310.db2.gz RWCQFLHIRXWLLD-SFYZADRCSA-N 2 2 252.261 -0.564 20 0 CBADLP COC(=O)[C@@H](O)C[N@@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246025032 825626303 /nfs/dbraw/zinc/62/63/03/825626303.db2.gz RWCQFLHIRXWLLD-SFYZADRCSA-N 2 2 252.261 -0.564 20 0 CBADLP COC(=O)[C@@H]1C[C@H]([NH2+][C@@H]2C[NH2+]CC[C@H]2C)CCN1 ZINC001246103679 825636381 /nfs/dbraw/zinc/63/63/81/825636381.db2.gz YBBNNGKFUVYWIQ-WISYIIOYSA-N 2 2 255.362 -0.132 20 0 CBADLP C[C@H](CC(=O)N1CCOCC1)[NH2+][C@H]1CCC[NH2+]C1 ZINC001246119051 825637515 /nfs/dbraw/zinc/63/75/15/825637515.db2.gz AJEUMARLQJDCMI-NEPJUHHUSA-N 2 2 255.362 -0.035 20 0 CBADLP CCOC(=O)C[C@]1(N[C@H]2C[NH2+][C@H](C(=O)OC)C2)CC[NH2+]C1 ZINC001246122362 825637624 /nfs/dbraw/zinc/63/76/24/825637624.db2.gz ADSWANDSXPPVFS-UHIISALHSA-N 2 2 299.371 -0.835 20 0 CBADLP COC(=O)[C@@H]1CC[C@@H]([NH2+][C@H]2CC[C@@H]3[NH2+]CCO[C@@H]23)CN1 ZINC001246151168 825642289 /nfs/dbraw/zinc/64/22/89/825642289.db2.gz PEIUUOPBHVFTMO-QNWJLWSRSA-N 2 2 283.372 -0.611 20 0 CBADLP C1[NH2+]CC12C[C@@H]([NH2+][C@H]1CC[C@@H]3[NH2+]CCO[C@@H]13)CCN2 ZINC001246153088 825642720 /nfs/dbraw/zinc/64/27/20/825642720.db2.gz VYXXZINIIDUFSG-ZDEQEGDKSA-N 3 2 266.389 -0.811 20 0 CBADLP COC(=O)[C@H]([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)C1CC1 ZINC001246177299 825645632 /nfs/dbraw/zinc/64/56/32/825645632.db2.gz IRWLCOMVMQJILD-WDEREUQCSA-N 2 2 253.346 -0.378 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](NC[C@@]2(F)CCC[NH2+]C2)C[NH2+]1 ZINC001246178230 825645864 /nfs/dbraw/zinc/64/58/64/825645864.db2.gz NSVBPXSUKKHUET-JFGNBEQYSA-N 2 2 259.325 -0.429 20 0 CBADLP O=C(NCC[NH2+][C@@H]1CCC[NH2+]C1)N1CCOCC1 ZINC001246212374 825651109 /nfs/dbraw/zinc/65/11/09/825651109.db2.gz VAOHYUNGFSJHDP-LLVKDONJSA-N 2 2 256.350 -0.630 20 0 CBADLP COC(=O)[C@@H](CCCC[NH3+])N[C@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001246237595 825655684 /nfs/dbraw/zinc/65/56/84/825655684.db2.gz IKDMLDGJLMUHKQ-MXWKQRLJSA-N 2 2 287.360 -0.850 20 0 CBADLP COC(=O)[C@@H]1C[C@H](n2nc(CC[NH3+])nc2C)C[NH2+]1 ZINC001246245114 825655885 /nfs/dbraw/zinc/65/58/85/825655885.db2.gz QTVMLHWBSXGZAD-IUCAKERBSA-N 2 2 253.306 -0.836 20 0 CBADLP COC(=O)[C@H]1C[C@@H](NC2(C(F)(F)F)C[NH2+]C2)C[NH2+]1 ZINC001246251867 825656500 /nfs/dbraw/zinc/65/65/00/825656500.db2.gz FNDKEQKBLYDCLN-RNFRBKRXSA-N 2 2 267.251 -0.616 20 0 CBADLP C[NH+](C)CCC[N@H+](CCC[NH3+])[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246278046 825658941 /nfs/dbraw/zinc/65/89/41/825658941.db2.gz JGDMJUUWSWSIOE-AWEZNQCLSA-N 4 2 283.464 -0.317 20 0 CBADLP C[NH+](C)CCC[N@@H+](CCC[NH3+])[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246278046 825658949 /nfs/dbraw/zinc/65/89/49/825658949.db2.gz JGDMJUUWSWSIOE-AWEZNQCLSA-N 4 2 283.464 -0.317 20 0 CBADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2C[NH2+]C[C@@H]2CO)C1 ZINC001246297118 825662001 /nfs/dbraw/zinc/66/20/01/825662001.db2.gz DOVRKTRZSVGIOZ-WYUUTHIRSA-N 2 2 256.346 -0.112 20 0 CBADLP CCOC(=O)CN1CCC([NH2+][C@@H]2C[NH2+]C[C@@H]2CO)CC1 ZINC001246300275 825662383 /nfs/dbraw/zinc/66/23/83/825662383.db2.gz QTYSLIOFHNPLQA-DGCLKSJQSA-N 2 2 285.388 -0.816 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](Nc2nccnc2C[NH3+])C[NH2+]1 ZINC001246333421 825665474 /nfs/dbraw/zinc/66/54/74/825665474.db2.gz QFCSMOKIDVYLSN-SFYZADRCSA-N 2 2 251.290 -0.749 20 0 CBADLP COC(=O)[C@H](Cc1c[nH+]cn1C)N[C@@H]1CCC[NH2+]C1 ZINC001246333731 825665940 /nfs/dbraw/zinc/66/59/40/825665940.db2.gz NDAZJQUZQHZXQX-PWSUYJOCSA-N 2 2 266.345 -0.154 20 0 CBADLP C[C@H](CC(=O)N1CCOCC1)[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246345376 825666636 /nfs/dbraw/zinc/66/66/36/825666636.db2.gz AJEUMARLQJDCMI-VXGBXAGGSA-N 2 2 255.362 -0.035 20 0 CBADLP C[C@@H]1CC[C@H]([NH2+]CCOCCN2C(=O)C=CC2=O)C[NH2+]1 ZINC001246356442 825669566 /nfs/dbraw/zinc/66/95/66/825669566.db2.gz ONRYMFLGTMJLQS-NEPJUHHUSA-N 2 2 281.356 -0.342 20 0 CBADLP COC(=O)[C@H](CCC[NH3+])[NH2+][C@H]1CSC2(C[NH2+]C2)C1 ZINC001246399942 825670075 /nfs/dbraw/zinc/67/00/75/825670075.db2.gz BYRSAYOAMQPACQ-ZJUUUORDSA-N 3 2 273.402 -0.296 20 0 CBADLP COC(=O)[C@@H]1CC[C@H]([NH2+]CCC[NH2+]CCC[NH3+])CN1 ZINC001246450180 825673771 /nfs/dbraw/zinc/67/37/71/825673771.db2.gz BZTRAOABMUDDQV-RYUDHWBXSA-N 3 2 272.393 -0.802 20 0 CBADLP COC[C@@H]1C[C@@H]([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)C[NH2+]1 ZINC001246468308 825676604 /nfs/dbraw/zinc/67/66/04/825676604.db2.gz WXKNIZZBBLFVGO-TUAOUCFPSA-N 3 2 254.378 -0.953 20 0 CBADLP C[C@H](NC(=O)[C@H](C)[NH2+][C@H]1CC[NH2+][C@H](C)C1)C(N)=O ZINC001246486107 825676677 /nfs/dbraw/zinc/67/66/77/825676677.db2.gz ITWOIPPXHDKXSU-KATARQTJSA-N 2 2 256.350 -0.905 20 0 CBADLP COC(=O)[C@@H]1C[C@H](N2CC[NH+](C(C)C)CC2)C[NH2+]1 ZINC001246522667 825679958 /nfs/dbraw/zinc/67/99/58/825679958.db2.gz BHALHAHERKXSAY-RYUDHWBXSA-N 2 2 255.362 -0.084 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](N2CC[NH+](C3CC3)CC2)C[NH2+]1 ZINC001246535451 825680829 /nfs/dbraw/zinc/68/08/29/825680829.db2.gz LXBGYAYGSWWETL-NEPJUHHUSA-N 2 2 253.346 -0.330 20 0 CBADLP COC(=O)[C@@H]1C[C@H]([N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)CN1 ZINC001246548337 825684687 /nfs/dbraw/zinc/68/46/87/825684687.db2.gz GENWKUUEPDLRLX-BJDJZHNGSA-N 2 2 255.362 -0.193 20 0 CBADLP COC(=O)[C@@H]1C[C@H]([N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)CN1 ZINC001246548337 825684691 /nfs/dbraw/zinc/68/46/91/825684691.db2.gz GENWKUUEPDLRLX-BJDJZHNGSA-N 2 2 255.362 -0.193 20 0 CBADLP C[N@H+](C[C@H]1C[NH2+]CCO1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246556059 825684735 /nfs/dbraw/zinc/68/47/35/825684735.db2.gz HMNUAIAFLQOQCM-VXGBXAGGSA-N 3 2 254.378 -0.999 20 0 CBADLP C[N@@H+](C[C@H]1C[NH2+]CCO1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246556059 825684739 /nfs/dbraw/zinc/68/47/39/825684739.db2.gz HMNUAIAFLQOQCM-VXGBXAGGSA-N 3 2 254.378 -0.999 20 0 CBADLP [NH3+][C@@H]1C[N@@H+]([C@@H]2CCC[C@@H](n3ncnn3)C2)C[C@H]1O ZINC001246558798 825685808 /nfs/dbraw/zinc/68/58/08/825685808.db2.gz RMXAESHKHOQMGA-GWOFURMSSA-N 2 2 252.322 -0.839 20 0 CBADLP [NH3+][C@@H]1C[N@H+]([C@@H]2CCC[C@@H](n3ncnn3)C2)C[C@H]1O ZINC001246558798 825685814 /nfs/dbraw/zinc/68/58/14/825685814.db2.gz RMXAESHKHOQMGA-GWOFURMSSA-N 2 2 252.322 -0.839 20 0 CBADLP COC(=O)[C@@H]1C[C@H](N2CCOCC3(CC[NH2+]CC3)C2)C[NH2+]1 ZINC001246616346 825695601 /nfs/dbraw/zinc/69/56/01/825695601.db2.gz VUDWCPJLBNCQAQ-STQMWFEESA-N 2 2 297.399 -0.408 20 0 CBADLP CCOC(=O)N1CC[C@H]([N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)C1 ZINC001246638752 825700889 /nfs/dbraw/zinc/70/08/89/825700889.db2.gz CXMXBSSIFDVMKM-GXTWGEPZSA-N 2 2 282.388 -0.146 20 0 CBADLP CCOC(=O)N1CC[C@H]([N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)C1 ZINC001246638752 825700894 /nfs/dbraw/zinc/70/08/94/825700894.db2.gz CXMXBSSIFDVMKM-GXTWGEPZSA-N 2 2 282.388 -0.146 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](N2CC[NH+](CC3CC3)CC2)C[NH2+]1 ZINC001246788685 825710697 /nfs/dbraw/zinc/71/06/97/825710697.db2.gz VNGLLIJKNSXVDX-OLZOCXBDSA-N 2 2 267.373 -0.083 20 0 CBADLP C([C@H]1CCCO1)[NH+]1CCN([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246778671 825710775 /nfs/dbraw/zinc/71/07/75/825710775.db2.gz WPTVDTJGYDYYJJ-LSDHHAIUSA-N 2 2 294.443 -0.123 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](N2CC([N@H+](C)[C@H]3CCOC3)C2)C[NH2+]1 ZINC001246819791 825715857 /nfs/dbraw/zinc/71/58/57/825715857.db2.gz JSLAAOIWDRGQCF-LOWVWBTDSA-N 2 2 283.372 -0.705 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](N2CC([N@@H+](C)[C@H]3CCOC3)C2)C[NH2+]1 ZINC001246819791 825715861 /nfs/dbraw/zinc/71/58/61/825715861.db2.gz JSLAAOIWDRGQCF-LOWVWBTDSA-N 2 2 283.372 -0.705 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](n2c(=N)sc3c2CC[NH2+]C3)C[NH2+]1 ZINC001246824917 825717221 /nfs/dbraw/zinc/71/72/21/825717221.db2.gz RELQMRSMUKGQQV-SFYZADRCSA-N 2 2 282.369 -0.249 20 0 CBADLP O[C@H]1CC[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CC1(F)F ZINC001246826013 825718038 /nfs/dbraw/zinc/71/80/38/825718038.db2.gz ZQRHJJBGCXVKSH-UWVGGRQHSA-N 2 2 261.316 -0.218 20 0 CBADLP O[C@H]1CC[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CC1(F)F ZINC001246826013 825718044 /nfs/dbraw/zinc/71/80/44/825718044.db2.gz ZQRHJJBGCXVKSH-UWVGGRQHSA-N 2 2 261.316 -0.218 20 0 CBADLP COC(=O)[C@@H]1C[C@H](N2CCC[C@@H]3C[N@H+](C)C[C@H]32)C[NH2+]1 ZINC001246830470 825718747 /nfs/dbraw/zinc/71/87/47/825718747.db2.gz HRXFOXLMAXMUFW-MROQNXINSA-N 2 2 267.373 -0.084 20 0 CBADLP COC(=O)[C@@H]1C[C@H](N2CCC[C@@H]3C[N@@H+](C)C[C@H]32)C[NH2+]1 ZINC001246830470 825718752 /nfs/dbraw/zinc/71/87/52/825718752.db2.gz HRXFOXLMAXMUFW-MROQNXINSA-N 2 2 267.373 -0.084 20 0 CBADLP COC(=O)[C@@H]1C[C@H](N2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[NH2+]1 ZINC001246869203 825725154 /nfs/dbraw/zinc/72/51/54/825725154.db2.gz UMYNNOJPITYQOD-USZNOCQGSA-N 2 2 253.346 -0.332 20 0 CBADLP COC(=O)[C@@H]1C[C@H](N2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[NH2+]1 ZINC001246869203 825725157 /nfs/dbraw/zinc/72/51/57/825725157.db2.gz UMYNNOJPITYQOD-USZNOCQGSA-N 2 2 253.346 -0.332 20 0 CBADLP COC(=O)[C@@H]1C[C@@H]([N@@H+]2C[C@H]3C[C@@]3([NH3+])C2)C[C@@H]1C(=O)OC ZINC001246865409 825725569 /nfs/dbraw/zinc/72/55/69/825725569.db2.gz BOIJFBWRGSYRMV-XXUISHGZSA-N 2 2 282.340 -0.240 20 0 CBADLP COC(=O)[C@@H]1C[C@@H]([N@H+]2C[C@H]3C[C@@]3([NH3+])C2)C[C@@H]1C(=O)OC ZINC001246865409 825725575 /nfs/dbraw/zinc/72/55/75/825725575.db2.gz BOIJFBWRGSYRMV-XXUISHGZSA-N 2 2 282.340 -0.240 20 0 CBADLP C[C@@H]1C[C@@H]([N@@H+]2CCN3C(=O)COC[C@H]3C2)CC[NH2+]1 ZINC001246869649 825725749 /nfs/dbraw/zinc/72/57/49/825725749.db2.gz NECVNQXZVZQBRQ-GRYCIOLGSA-N 2 2 253.346 -0.330 20 0 CBADLP C[C@@H]1C[C@@H]([N@H+]2CCN3C(=O)COC[C@H]3C2)CC[NH2+]1 ZINC001246869649 825725754 /nfs/dbraw/zinc/72/57/54/825725754.db2.gz NECVNQXZVZQBRQ-GRYCIOLGSA-N 2 2 253.346 -0.330 20 0 CBADLP C1[NH2+]CC12C[C@@H]([N@@H+]1C[C@H]3CC[C@@H](C1)[NH2+]C3)CCN2 ZINC001246866360 825725823 /nfs/dbraw/zinc/72/58/23/825725823.db2.gz JNGIMFPXKJNWQF-AVGNSLFASA-N 3 2 250.390 -0.236 20 0 CBADLP C1[NH2+]CC12C[C@@H]([N@H+]1C[C@H]3CC[C@@H](C1)[NH2+]C3)CCN2 ZINC001246866360 825725828 /nfs/dbraw/zinc/72/58/28/825725828.db2.gz JNGIMFPXKJNWQF-AVGNSLFASA-N 3 2 250.390 -0.236 20 0 CBADLP COC(=O)[C@@H]1C[C@@H]([N@@H+]2C[C@@H]3C[C@]3([NH3+])C2)C[C@@H]1C(=O)OC ZINC001246865408 825726013 /nfs/dbraw/zinc/72/60/13/825726013.db2.gz BOIJFBWRGSYRMV-ROKJBNPBSA-N 2 2 282.340 -0.240 20 0 CBADLP COC(=O)[C@@H]1C[C@@H]([N@H+]2C[C@@H]3C[C@]3([NH3+])C2)C[C@@H]1C(=O)OC ZINC001246865408 825726020 /nfs/dbraw/zinc/72/60/20/825726020.db2.gz BOIJFBWRGSYRMV-ROKJBNPBSA-N 2 2 282.340 -0.240 20 0 CBADLP COC(=O)[C@@H]1C[N@@H+]([C@H]2CCC3(C[NH2+]C3)C2)C[C@@H]1[NH3+] ZINC001246929428 825732543 /nfs/dbraw/zinc/73/25/43/825732543.db2.gz CYDLIQQXFJBKEP-AXFHLTTASA-N 3 2 253.346 -0.439 20 0 CBADLP COC(=O)[C@@H]1C[N@H+]([C@H]2CCC3(C[NH2+]C3)C2)C[C@@H]1[NH3+] ZINC001246929428 825732549 /nfs/dbraw/zinc/73/25/49/825732549.db2.gz CYDLIQQXFJBKEP-AXFHLTTASA-N 3 2 253.346 -0.439 20 0 CBADLP CC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@H]1CN[C@H](C(=O)OC)C1 ZINC001246935359 825734182 /nfs/dbraw/zinc/73/41/82/825734182.db2.gz HHQKXDPLIPSQGY-UTUOFQBUSA-N 2 2 255.362 -0.179 20 0 CBADLP CC[N@H+](C[C@@H]1CC[NH2+]C1)[C@H]1CN[C@H](C(=O)OC)C1 ZINC001246935359 825734175 /nfs/dbraw/zinc/73/41/75/825734175.db2.gz HHQKXDPLIPSQGY-UTUOFQBUSA-N 2 2 255.362 -0.179 20 0 CBADLP COC(=O)[C@@H]1C[N@@H+]([C@H]2C[C@H]3C[NH2+]C[C@H]3C2)C[C@@H]1[NH3+] ZINC001246931344 825734802 /nfs/dbraw/zinc/73/48/02/825734802.db2.gz NVEAAGAXAUVHRS-ROHXPCBUSA-N 3 2 253.346 -0.584 20 0 CBADLP COC(=O)[C@@H]1C[N@H+]([C@H]2C[C@H]3C[NH2+]C[C@H]3C2)C[C@@H]1[NH3+] ZINC001246931344 825734807 /nfs/dbraw/zinc/73/48/07/825734807.db2.gz NVEAAGAXAUVHRS-ROHXPCBUSA-N 3 2 253.346 -0.584 20 0 CBADLP COCCCC[NH+]1CCN([C@@H]2C[NH2+][C@H](C(=O)OC)C2)CC1 ZINC001246988158 825739263 /nfs/dbraw/zinc/73/92/63/825739263.db2.gz FRMVCACWMMYLRB-KBPBESRZSA-N 2 2 299.415 -0.066 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](N2CC[NH+](CC(C)(C)O)CC2)C[NH2+]1 ZINC001246997132 825741236 /nfs/dbraw/zinc/74/12/36/825741236.db2.gz KSFKABFXOFANRE-NEPJUHHUSA-N 2 2 285.388 -0.722 20 0 CBADLP C[NH+]1CCN(C(=[NH2+])NC[C@H](O)C(F)(F)F)CC1 ZINC001250990761 825755907 /nfs/dbraw/zinc/75/59/07/825755907.db2.gz AHOQBCGOMDGVJI-ZETCQYMHSA-N 2 2 254.256 -0.319 20 0 CBADLP O[C@@H](C[NH2+]CCCn1cc[nH+]c1)CN1CCOCC1 ZINC001251002789 825756680 /nfs/dbraw/zinc/75/66/80/825756680.db2.gz WSIRPTPDLWYPBT-ZDUSSCGKSA-N 2 2 268.361 -0.444 20 0 CBADLP O[C@@H](C[NH2+]CCc1[nH]cc[nH+]1)CN1CCOCC1 ZINC001251035721 825768904 /nfs/dbraw/zinc/76/89/04/825768904.db2.gz LULZFXGQPZUXGJ-NSHDSACASA-N 2 2 254.334 -0.765 20 0 CBADLP O[C@H](C[NH2+]CCOc1cc[nH+]cc1)CN1CCOCC1 ZINC001251048912 825771872 /nfs/dbraw/zinc/77/18/72/825771872.db2.gz KDZCJIRQNOQYJN-CYBMUJFWSA-N 2 2 281.356 -0.257 20 0 CBADLP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+](C[C@H](O)CO)CC1 ZINC001252060309 825823587 /nfs/dbraw/zinc/82/35/87/825823587.db2.gz NMVZVDBWCSZMBX-KGLIPLIRSA-N 2 2 272.389 -0.085 20 0 CBADLP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](C[C@H](O)CO)CC1 ZINC001252060309 825823594 /nfs/dbraw/zinc/82/35/94/825823594.db2.gz NMVZVDBWCSZMBX-KGLIPLIRSA-N 2 2 272.389 -0.085 20 0 CBADLP CC(C)OC[C@@H](O)C[NH2+]C1(CO)CC[NH+](C)CC1 ZINC001252701821 825885191 /nfs/dbraw/zinc/88/51/91/825885191.db2.gz CUNJDBKMLXGVST-LBPRGKRZSA-N 2 2 260.378 -0.181 20 0 CBADLP CC(C)OC[C@@H](O)CNC(=[NH2+])N1CC[NH+](C)CC1 ZINC001252694028 825884407 /nfs/dbraw/zinc/88/44/07/825884407.db2.gz WDQYFVCHJSQKKT-NSHDSACASA-N 2 2 258.366 -0.456 20 0 CBADLP C[NH+]1CCN(C(=[NH2+])NCC2(O)CCOCC2)CC1 ZINC001252973942 825897132 /nfs/dbraw/zinc/89/71/32/825897132.db2.gz NDHZZQRYZIAFOF-UHFFFAOYSA-N 2 2 256.350 -0.700 20 0 CBADLP CC[NH+](CC)C[C@@H](O)C[NH2+]CCCN1CC[NH+](C)CC1 ZINC001253175344 825901290 /nfs/dbraw/zinc/90/12/90/825901290.db2.gz ZKUWJVLHZGTKSG-HNNXBMFYSA-N 3 2 286.464 -0.084 20 0 CBADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1CC[C@](C)(CO)[C@H](O)C1 ZINC001253180813 825902911 /nfs/dbraw/zinc/90/29/11/825902911.db2.gz JTZYUCFXSMCDNJ-BFHYXJOUSA-N 2 2 274.405 -0.246 20 0 CBADLP CC[NH+](CC)C[C@H](O)C[N@H+]1CC[C@](C)(CO)[C@H](O)C1 ZINC001253180813 825902913 /nfs/dbraw/zinc/90/29/13/825902913.db2.gz JTZYUCFXSMCDNJ-BFHYXJOUSA-N 2 2 274.405 -0.246 20 0 CBADLP C[N@H+](CCN1CCOCC1)C[C@H](O)C[NH2+]C(C)(C)C ZINC001253384834 825910521 /nfs/dbraw/zinc/91/05/21/825910521.db2.gz JFJCXKPZXFCNLN-CYBMUJFWSA-N 2 2 273.421 -0.001 20 0 CBADLP C[N@@H+](CCN1CCOCC1)C[C@H](O)C[NH2+]C(C)(C)C ZINC001253384834 825910524 /nfs/dbraw/zinc/91/05/24/825910524.db2.gz JFJCXKPZXFCNLN-CYBMUJFWSA-N 2 2 273.421 -0.001 20 0 CBADLP CN(CC[NH+]1CCOCC1)C[C@H](O)C[NH2+]C(C)(C)C ZINC001253384834 825910529 /nfs/dbraw/zinc/91/05/29/825910529.db2.gz JFJCXKPZXFCNLN-CYBMUJFWSA-N 2 2 273.421 -0.001 20 0 CBADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC001253389608 825910810 /nfs/dbraw/zinc/91/08/10/825910810.db2.gz FXLZKGDJXGUWCT-UTUOFQBUSA-N 2 2 260.378 -0.590 20 0 CBADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC001253389608 825910817 /nfs/dbraw/zinc/91/08/17/825910817.db2.gz FXLZKGDJXGUWCT-UTUOFQBUSA-N 2 2 260.378 -0.590 20 0 CBADLP C[N@H+](C1COC1)C1CN(C[C@H](O)C[NH2+]C(C)(C)C)C1 ZINC001253393663 825912484 /nfs/dbraw/zinc/91/24/84/825912484.db2.gz ZKYOHUWDIYECNC-CYBMUJFWSA-N 2 2 271.405 -0.250 20 0 CBADLP C[N@@H+](C1COC1)C1CN(C[C@H](O)C[NH2+]C(C)(C)C)C1 ZINC001253393663 825912488 /nfs/dbraw/zinc/91/24/88/825912488.db2.gz ZKYOHUWDIYECNC-CYBMUJFWSA-N 2 2 271.405 -0.250 20 0 CBADLP COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC[C@H](O)C[NH2+]C(C)(C)C ZINC001253406118 825913486 /nfs/dbraw/zinc/91/34/86/825913486.db2.gz ZHVVBFAXIVOECR-RYUDHWBXSA-N 2 2 298.387 -0.168 20 0 CBADLP COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC[C@H](O)C[NH2+]C(C)(C)C ZINC001253406118 825913487 /nfs/dbraw/zinc/91/34/87/825913487.db2.gz ZHVVBFAXIVOECR-RYUDHWBXSA-N 2 2 298.387 -0.168 20 0 CBADLP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+][C@H]1CCC(=O)NC1=O ZINC001253403789 825913515 /nfs/dbraw/zinc/91/35/15/825913515.db2.gz JRGWVZBPHXPPCH-IUCAKERBSA-N 2 2 257.334 -0.870 20 0 CBADLP CSCC[C@H]([NH2+]C[C@H](O)C[NH2+]C(C)(C)C)C(N)=O ZINC001253408893 825914915 /nfs/dbraw/zinc/91/49/15/825914915.db2.gz LQJOJPKXNJNRLQ-UWVGGRQHSA-N 2 2 277.434 -0.068 20 0 CBADLP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]C1CN(C2COC2)C1 ZINC001253411690 825915122 /nfs/dbraw/zinc/91/51/22/825915122.db2.gz STPSYQDMCCWMEP-LBPRGKRZSA-N 2 2 257.378 -0.592 20 0 CBADLP C[N@@H+]1CCC[C@@H]([NH2+]C2CN(S(C)(=O)=O)C2)CC1 ZINC001254502370 825963728 /nfs/dbraw/zinc/96/37/28/825963728.db2.gz DGDLDDPTOBMOSP-SNVBAGLBSA-N 2 2 261.391 -0.296 20 0 CBADLP C[N@H+]1CCC[C@@H]([NH2+]C2CN(S(C)(=O)=O)C2)CC1 ZINC001254502370 825963736 /nfs/dbraw/zinc/96/37/36/825963736.db2.gz DGDLDDPTOBMOSP-SNVBAGLBSA-N 2 2 261.391 -0.296 20 0 CBADLP CCOC(=O)C[NH+]1CCC(n2nnc(CC[NH3+])n2)CC1 ZINC001254394905 825959589 /nfs/dbraw/zinc/95/95/89/825959589.db2.gz WMLJOMOGIZSHGR-UHFFFAOYSA-N 2 2 282.348 -0.626 20 0 CBADLP C[N@@H+]1CCC[C@@H]([NH2+]CCC[NH+](CCO)CCO)CC1 ZINC001254499166 825964450 /nfs/dbraw/zinc/96/44/50/825964450.db2.gz BLOZOSALWOVAHA-CQSZACIVSA-N 3 2 273.421 -0.263 20 0 CBADLP C[N@H+]1CCC[C@@H]([NH2+]CCC[NH+](CCO)CCO)CC1 ZINC001254499166 825964457 /nfs/dbraw/zinc/96/44/57/825964457.db2.gz BLOZOSALWOVAHA-CQSZACIVSA-N 3 2 273.421 -0.263 20 0 CBADLP O=C1C=CC(=O)N1CC[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001254839813 825970065 /nfs/dbraw/zinc/97/00/65/825970065.db2.gz WFBBCIVHIGQGBG-GFCCVEGCSA-N 2 2 263.341 -0.015 20 0 CBADLP [NH3+]CCN(CC[NH2+][C@H]1CC2CC[NH+](CC2)C1)N(O)N=O ZINC001254843017 825970123 /nfs/dbraw/zinc/97/01/23/825970123.db2.gz DKMLAHNYHCAIAP-LBPRGKRZSA-N 3 2 286.380 -0.391 20 0 CBADLP COC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])N[C@H]1CC[N@H+](C)C1 ZINC001255416286 825981559 /nfs/dbraw/zinc/98/15/59/825981559.db2.gz YBAIIDHBTCFHLG-UWVGGRQHSA-N 3 2 271.365 -0.915 20 0 CBADLP COC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])N[C@H]1CC[N@@H+](C)C1 ZINC001255416286 825981560 /nfs/dbraw/zinc/98/15/60/825981560.db2.gz YBAIIDHBTCFHLG-UWVGGRQHSA-N 3 2 271.365 -0.915 20 0 CBADLP COC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])N[C@H]1CCC[N@H+](C)C1 ZINC001255471387 825984229 /nfs/dbraw/zinc/98/42/29/825984229.db2.gz ZARLRSOGYUYTSK-QWRGUYRKSA-N 3 2 285.392 -0.525 20 0 CBADLP COC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])N[C@H]1CCC[N@@H+](C)C1 ZINC001255471387 825984234 /nfs/dbraw/zinc/98/42/34/825984234.db2.gz ZARLRSOGYUYTSK-QWRGUYRKSA-N 3 2 285.392 -0.525 20 0 CBADLP [NH3+]CC[N@H+](CCO)C1CCN(c2ncccn2)CC1 ZINC001256045600 826001214 /nfs/dbraw/zinc/00/12/14/826001214.db2.gz RIRREQWTCWQKQL-UHFFFAOYSA-N 2 2 265.361 -0.302 20 0 CBADLP [NH3+]CC[N@@H+](CCO)C1CCN(c2ncccn2)CC1 ZINC001256045600 826001221 /nfs/dbraw/zinc/00/12/21/826001221.db2.gz RIRREQWTCWQKQL-UHFFFAOYSA-N 2 2 265.361 -0.302 20 0 CBADLP COC(=O)CC[C@H]([NH2+]C1CC[NH+](C)CC1)C(N)=O ZINC001256199058 826003227 /nfs/dbraw/zinc/00/32/27/826003227.db2.gz GEPZYHDNGAPUNF-JTQLQIEISA-N 2 2 257.334 -0.523 20 0 CBADLP CCOC(=O)CNC(=O)C[NH2+]C1CC[NH+](C)CC1 ZINC001256195356 826004240 /nfs/dbraw/zinc/00/42/40/826004240.db2.gz OYQRLKCORLIMCD-UHFFFAOYSA-N 2 2 257.334 -0.651 20 0 CBADLP C[C@@H](CC(=O)N1CCOCC1)NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001256323935 826010306 /nfs/dbraw/zinc/01/03/06/826010306.db2.gz PESSHCFXYLTFAV-LBPRGKRZSA-N 2 2 297.403 -0.604 20 0 CBADLP C[NH+](C)CCN1CC[NH+](C2CCS(=O)(=O)CC2)CC1 ZINC001256384791 826019695 /nfs/dbraw/zinc/01/96/95/826019695.db2.gz JPGQKWYMLFCDBE-UHFFFAOYSA-N 2 2 289.445 -0.257 20 0 CBADLP C[NH+](C)CCN(CC[NH+](C)C)C1CCS(=O)(=O)CC1 ZINC001256389405 826021870 /nfs/dbraw/zinc/02/18/70/826021870.db2.gz NGMCEOAUVFJRRT-UHFFFAOYSA-N 2 2 291.461 -0.011 20 0 CBADLP C[NH+]1CCN(c2cc[nH+]cc2NS(N)(=O)=O)CC1 ZINC001260076137 826121450 /nfs/dbraw/zinc/12/14/50/826121450.db2.gz XFCDXYGWVDHNFO-UHFFFAOYSA-N 2 2 271.346 -0.551 20 0 CBADLP [NH3+]C[C@@H]([NH2+]CC(=O)N1CC[NH2+]CC1)C1CCCCC1 ZINC001261492458 826524919 /nfs/dbraw/zinc/52/49/19/826524919.db2.gz FQAMTVRQTFFJPG-CYBMUJFWSA-N 3 2 268.405 -0.085 20 0 CBADLP C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC001261821272 826588493 /nfs/dbraw/zinc/58/84/93/826588493.db2.gz VULRTJAOWKPNBC-VHSXEESVSA-N 2 2 279.344 -0.880 20 0 CBADLP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC001261836709 826595249 /nfs/dbraw/zinc/59/52/49/826595249.db2.gz JTXNPKZKTTWNAS-DGAVXFQQSA-N 3 2 298.431 -0.332 20 0 CBADLP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC001261836709 826595252 /nfs/dbraw/zinc/59/52/52/826595252.db2.gz JTXNPKZKTTWNAS-DGAVXFQQSA-N 3 2 298.431 -0.332 20 0 CBADLP CC[NH2+]CCNC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001262584496 826713564 /nfs/dbraw/zinc/71/35/64/826713564.db2.gz DEJZFPHLMYXBCS-UHFFFAOYSA-N 3 2 257.382 -0.682 20 0 CBADLP C[C@H](O)CCCNC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001262592153 826715171 /nfs/dbraw/zinc/71/51/71/826715171.db2.gz IHSPVTYJOWNRMK-NSHDSACASA-N 2 2 272.393 -0.130 20 0 CBADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)[C@H](C[NH3+])OC ZINC001263199215 826752742 /nfs/dbraw/zinc/75/27/42/826752742.db2.gz ZXEJOHUXRBRAPR-MNOVXSKESA-N 2 2 259.350 -0.813 20 0 CBADLP COC(=O)[C@@H]1C[C@@H]1C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001263192049 826752765 /nfs/dbraw/zinc/75/27/65/826752765.db2.gz LUMKIMWOVQMRIJ-WDEREUQCSA-N 2 2 269.345 -0.665 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N1CCNCC[NH2+]CC1 ZINC001263210763 826754006 /nfs/dbraw/zinc/75/40/06/826754006.db2.gz VDUHZLOPSOQNJE-UHFFFAOYSA-N 2 2 251.334 -0.787 20 0 CBADLP C[C@@H](NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)[C@@H]1CN(C)CC[N@@H+]1C ZINC001263305679 826762361 /nfs/dbraw/zinc/76/23/61/826762361.db2.gz DJAFQULWRFMZBP-BNDIWNMDSA-N 2 2 266.389 -0.798 20 0 CBADLP C[C@@H](NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)[C@@H]1CN(C)CC[N@H+]1C ZINC001263305679 826762367 /nfs/dbraw/zinc/76/23/67/826762367.db2.gz DJAFQULWRFMZBP-BNDIWNMDSA-N 2 2 266.389 -0.798 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@H]1C[C@@H]([NH2+]CCO)C1 ZINC001263851859 826784402 /nfs/dbraw/zinc/78/44/02/826784402.db2.gz WYWMITAIWXVKHY-PHIMTYICSA-N 2 2 252.318 -0.640 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H]1C[C@@H]([NH2+]CCO)C1 ZINC001263845153 826784795 /nfs/dbraw/zinc/78/47/95/826784795.db2.gz BTUIKVSQTNNQIV-AOOOYVTPSA-N 2 2 252.318 -0.571 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1C[C@H]([NH2+]CCCO)C1 ZINC001265496559 826899436 /nfs/dbraw/zinc/89/94/36/826899436.db2.gz YYSQHHVBYUNKFF-MGCOHNPYSA-N 2 2 252.318 -0.429 20 0 CBADLP CC[C@H]([NH2+][C@H](C)CNC(=O)Cn1cc[nH+]c1)C(N)=O ZINC001265873356 826931604 /nfs/dbraw/zinc/93/16/04/826931604.db2.gz RZRCQMUUJNPGFT-ZJUUUORDSA-N 2 2 267.333 -0.759 20 0 CBADLP C[N@H+](CCO)CCCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001265877272 826933406 /nfs/dbraw/zinc/93/34/06/826933406.db2.gz DSIQQFKVQJRSLZ-LBPRGKRZSA-N 2 2 280.372 -0.124 20 0 CBADLP C[N@@H+](CCO)CCCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001265877272 826933412 /nfs/dbraw/zinc/93/34/12/826933412.db2.gz DSIQQFKVQJRSLZ-LBPRGKRZSA-N 2 2 280.372 -0.124 20 0 CBADLP C[N@H+](CCCNC(=O)Cn1cc[nH+]c1)CC(=O)N1CCC1 ZINC001265984015 826944895 /nfs/dbraw/zinc/94/48/95/826944895.db2.gz IFLNMRBHFMXSNQ-UHFFFAOYSA-N 2 2 293.371 -0.447 20 0 CBADLP C[N@@H+](CCCNC(=O)Cn1cc[nH+]c1)CC(=O)N1CCC1 ZINC001265984015 826944897 /nfs/dbraw/zinc/94/48/97/826944897.db2.gz IFLNMRBHFMXSNQ-UHFFFAOYSA-N 2 2 293.371 -0.447 20 0 CBADLP C[C@H](CCNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@H](C)C(N)=O ZINC001266180639 826960262 /nfs/dbraw/zinc/96/02/62/826960262.db2.gz KJVFYVLJIIOYMO-RKDXNWHRSA-N 2 2 267.333 -0.690 20 0 CBADLP C[NH+](C)CC1(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)CC1 ZINC001266339781 826986213 /nfs/dbraw/zinc/98/62/13/826986213.db2.gz XQBLKTCAICMOAJ-SNVBAGLBSA-N 2 2 268.361 -0.996 20 0 CBADLP C[NH+](C)CC1(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)CC1 ZINC001266339781 826986217 /nfs/dbraw/zinc/98/62/17/826986217.db2.gz XQBLKTCAICMOAJ-SNVBAGLBSA-N 2 2 268.361 -0.996 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]([NH2+]CCCO)C1 ZINC001266551859 827019907 /nfs/dbraw/zinc/01/99/07/827019907.db2.gz BZUWQZWZTBWDEG-JTQLQIEISA-N 2 2 252.318 -0.475 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)N[C@H]1C[C@H]([NH2+]CCO)C1 ZINC001266634937 827035029 /nfs/dbraw/zinc/03/50/29/827035029.db2.gz MEFUAMRMUMFGFZ-XYPYZODXSA-N 2 2 266.345 -0.418 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)[NH2+][C@@H](C)C(N)=O ZINC001266990689 827104193 /nfs/dbraw/zinc/10/41/93/827104193.db2.gz UQWAFJVJDCFSMM-CBAPKCEASA-N 2 2 267.333 -0.771 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)NCC[N@H+](C)CCCO ZINC001267210021 827128409 /nfs/dbraw/zinc/12/84/09/827128409.db2.gz WPGDSSCBSTVQRU-UHFFFAOYSA-N 2 2 268.361 -0.217 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)NCC[N@@H+](C)CCCO ZINC001267210021 827128416 /nfs/dbraw/zinc/12/84/16/827128416.db2.gz WPGDSSCBSTVQRU-UHFFFAOYSA-N 2 2 268.361 -0.217 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1CC[N@@H+](CCOCCO)C1 ZINC001267303721 827144884 /nfs/dbraw/zinc/14/48/84/827144884.db2.gz AHGQBRUZJKLTGZ-LBPRGKRZSA-N 2 2 296.371 -0.601 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1CC[N@H+](CCOCCO)C1 ZINC001267303721 827144886 /nfs/dbraw/zinc/14/48/86/827144886.db2.gz AHGQBRUZJKLTGZ-LBPRGKRZSA-N 2 2 296.371 -0.601 20 0 CBADLP C[C@@H](O)C[N@H+](CCNC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001267335497 827151426 /nfs/dbraw/zinc/15/14/26/827151426.db2.gz XGPJKJRFLWKXOU-SNVBAGLBSA-N 2 2 266.345 -0.086 20 0 CBADLP C[C@@H](O)C[N@@H+](CCNC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001267335497 827151431 /nfs/dbraw/zinc/15/14/31/827151431.db2.gz XGPJKJRFLWKXOU-SNVBAGLBSA-N 2 2 266.345 -0.086 20 0 CBADLP CC[C@@H](C(=O)NC1C[NH+](CCO)C1)[NH+](CC)CC ZINC001267659646 827192262 /nfs/dbraw/zinc/19/22/62/827192262.db2.gz ZKBWAXGKURQUPS-LBPRGKRZSA-N 2 2 257.378 -0.101 20 0 CBADLP CN(CC[NH2+]CCn1cncn1)C(=O)CCc1c[nH]c[nH+]1 ZINC001267381638 827162898 /nfs/dbraw/zinc/16/28/98/827162898.db2.gz FLWRIDAVZWFUCC-UHFFFAOYSA-N 2 2 291.359 -0.318 20 0 CBADLP CN(CC[NH2+]CCn1cncn1)C(=O)CCc1c[nH+]c[nH]1 ZINC001267381638 827162905 /nfs/dbraw/zinc/16/29/05/827162905.db2.gz FLWRIDAVZWFUCC-UHFFFAOYSA-N 2 2 291.359 -0.318 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@@H](C)C[NH2+]CCO ZINC001268096669 827256725 /nfs/dbraw/zinc/25/67/25/827256725.db2.gz RYQNGDWACROOIT-VIFPVBQESA-N 2 2 254.334 -0.311 20 0 CBADLP COCC[N@H+](C)CCN(C)C(=O)Cc1c[nH+]cn1C ZINC001268255283 827273786 /nfs/dbraw/zinc/27/37/86/827273786.db2.gz VWRWZDPTVZGNLG-UHFFFAOYSA-N 2 2 268.361 -0.001 20 0 CBADLP COCC[N@@H+](C)CCN(C)C(=O)Cc1c[nH+]cn1C ZINC001268255283 827273794 /nfs/dbraw/zinc/27/37/94/827273794.db2.gz VWRWZDPTVZGNLG-UHFFFAOYSA-N 2 2 268.361 -0.001 20 0 CBADLP Cc1cn(C(C)(C)C(=O)NC[C@H](O)C[NH2+]CCF)c[nH+]1 ZINC001268312360 827293319 /nfs/dbraw/zinc/29/33/19/827293319.db2.gz WFQNLGTWOJRRGM-LLVKDONJSA-N 2 2 286.351 -0.037 20 0 CBADLP C[C@H](CC[NH2+]CC(=O)NC1CC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001268403120 827323228 /nfs/dbraw/zinc/32/32/28/827323228.db2.gz IVUWFFMNQVFCIG-SNVBAGLBSA-N 2 2 293.371 -0.285 20 0 CBADLP CCN(CC[NH2+]CC(N)=O)C(=O)CCc1c[nH]c[nH+]1 ZINC001268454705 827334354 /nfs/dbraw/zinc/33/43/54/827334354.db2.gz XYIGLTGUQUXIMW-UHFFFAOYSA-N 2 2 267.333 -0.734 20 0 CBADLP O=C(CCCC[NH+]1CCOCC1)NC1C[NH+](CCCO)C1 ZINC001268463822 827335982 /nfs/dbraw/zinc/33/59/82/827335982.db2.gz VOZIPTGKLDSCSL-UHFFFAOYSA-N 2 2 299.415 -0.328 20 0 CBADLP C[C@H](C[NH2+]CCO)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001268649557 827391848 /nfs/dbraw/zinc/39/18/48/827391848.db2.gz NZNBIWUMPRLXDO-OPRDCNLKSA-N 2 2 252.318 -0.400 20 0 CBADLP C[C@H](C[NH2+]CCO)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001268649557 827391859 /nfs/dbraw/zinc/39/18/59/827391859.db2.gz NZNBIWUMPRLXDO-OPRDCNLKSA-N 2 2 252.318 -0.400 20 0 CBADLP C[C@H](C[NH2+]CCCO)NC(=O)CCc1c[nH]c[nH+]1 ZINC001268650061 827392261 /nfs/dbraw/zinc/39/22/61/827392261.db2.gz YTCGDWZTDIKGLQ-SNVBAGLBSA-N 2 2 254.334 -0.181 20 0 CBADLP C[C@H](C[NH2+]CCCO)NC(=O)CCc1c[nH+]c[nH]1 ZINC001268650061 827392270 /nfs/dbraw/zinc/39/22/70/827392270.db2.gz YTCGDWZTDIKGLQ-SNVBAGLBSA-N 2 2 254.334 -0.181 20 0 CBADLP C[C@@H](C[NH2+]CCc1ccnn1C)NC(=O)Cn1cc[nH+]c1 ZINC001268718034 827410864 /nfs/dbraw/zinc/41/08/64/827410864.db2.gz SWBUWSCUYGJSNW-LBPRGKRZSA-N 2 2 290.371 -0.046 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NCC1C[NH+](CCCO)C1 ZINC001268892204 827437355 /nfs/dbraw/zinc/43/73/55/827437355.db2.gz PYPLVJAPLNAZJB-UHFFFAOYSA-N 2 2 252.318 -0.617 20 0 CBADLP CNC(=O)C[NH2+]CCCN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001268915978 827439232 /nfs/dbraw/zinc/43/92/32/827439232.db2.gz VXKPWSHAHLOTDT-UHFFFAOYSA-N 2 2 295.387 -0.129 20 0 CBADLP C[NH+](C)CCCCC(=O)NC[C@@H]1CC[N@@H+]1[C@H]1CCNC1=O ZINC001269330825 827494774 /nfs/dbraw/zinc/49/47/74/827494774.db2.gz FITFSJSTYAHORW-STQMWFEESA-N 2 2 296.415 -0.203 20 0 CBADLP C[NH+](C)CCCCC(=O)NC[C@@H]1CC[N@H+]1[C@H]1CCNC1=O ZINC001269330825 827494780 /nfs/dbraw/zinc/49/47/80/827494780.db2.gz FITFSJSTYAHORW-STQMWFEESA-N 2 2 296.415 -0.203 20 0 CBADLP C[C@H](O)C[NH2+]C1(CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001269512948 827515450 /nfs/dbraw/zinc/51/54/50/827515450.db2.gz MLSGAWCEFVFRFB-VIFPVBQESA-N 2 2 252.318 -0.429 20 0 CBADLP CN(C(=O)C[C@H]1CC[N@H+](C)C1)C1C[NH+](CCOCCO)C1 ZINC001269876358 827534892 /nfs/dbraw/zinc/53/48/92/827534892.db2.gz SFVCCUPNAUAKHT-CYBMUJFWSA-N 2 2 299.415 -0.520 20 0 CBADLP CN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1C[NH+](CCOCCO)C1 ZINC001269876358 827534894 /nfs/dbraw/zinc/53/48/94/827534894.db2.gz SFVCCUPNAUAKHT-CYBMUJFWSA-N 2 2 299.415 -0.520 20 0 CBADLP COCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001270027118 827542554 /nfs/dbraw/zinc/54/25/54/827542554.db2.gz HSTWUGWEJFNMMH-KBPBESRZSA-N 2 2 299.415 -0.066 20 0 CBADLP COCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001270027118 827542563 /nfs/dbraw/zinc/54/25/63/827542563.db2.gz HSTWUGWEJFNMMH-KBPBESRZSA-N 2 2 299.415 -0.066 20 0 CBADLP C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](CO)n1cc[nH+]c1 ZINC001270398994 827563392 /nfs/dbraw/zinc/56/33/92/827563392.db2.gz JVTBERLNNILIEC-SDDRHHMPSA-N 2 2 264.329 -0.279 20 0 CBADLP C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](CO)n1cc[nH+]c1 ZINC001270398994 827563399 /nfs/dbraw/zinc/56/33/99/827563399.db2.gz JVTBERLNNILIEC-SDDRHHMPSA-N 2 2 264.329 -0.279 20 0 CBADLP C[N@@H+]1C[C@H]2C[C@@H](C1)N(C(=O)[C@H](Cc1c[nH]c[nH+]1)NC=O)C2 ZINC001270406159 827563838 /nfs/dbraw/zinc/56/38/38/827563838.db2.gz OODREODCKJXNSA-WXHSDQCUSA-N 2 2 291.355 -0.771 20 0 CBADLP C[N@H+]1C[C@H]2C[C@@H](C1)N(C(=O)[C@H](Cc1c[nH]c[nH+]1)NC=O)C2 ZINC001270406159 827563843 /nfs/dbraw/zinc/56/38/43/827563843.db2.gz OODREODCKJXNSA-WXHSDQCUSA-N 2 2 291.355 -0.771 20 0 CBADLP CCOCC[NH+]1CC(O)(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001271380579 827698090 /nfs/dbraw/zinc/69/80/90/827698090.db2.gz NXDSOKYYZBSODJ-CYBMUJFWSA-N 2 2 299.415 -0.472 20 0 CBADLP CCOCC[NH+]1CC(O)(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001271380579 827698093 /nfs/dbraw/zinc/69/80/93/827698093.db2.gz NXDSOKYYZBSODJ-CYBMUJFWSA-N 2 2 299.415 -0.472 20 0 CBADLP CC[NH+]1CCN(CC(=O)N2CC3(CC[N@@H+]3C)C2)CC1 ZINC001271904673 827734515 /nfs/dbraw/zinc/73/45/15/827734515.db2.gz FRMFVLZROZBHKI-UHFFFAOYSA-N 2 2 266.389 -0.460 20 0 CBADLP CC[NH+]1CCN(CC(=O)N2CC3(CC[N@H+]3C)C2)CC1 ZINC001271904673 827734517 /nfs/dbraw/zinc/73/45/17/827734517.db2.gz FRMFVLZROZBHKI-UHFFFAOYSA-N 2 2 266.389 -0.460 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)N(CCO)CC[NH2+]Cc1ccon1 ZINC001272129347 827760261 /nfs/dbraw/zinc/76/02/61/827760261.db2.gz FTVTVQJDOHVFAB-ZDUSSCGKSA-N 2 2 296.371 -0.321 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)N(CCO)CC[NH2+]Cc1ccon1 ZINC001272129347 827760268 /nfs/dbraw/zinc/76/02/68/827760268.db2.gz FTVTVQJDOHVFAB-ZDUSSCGKSA-N 2 2 296.371 -0.321 20 0 CBADLP Cc1c[nH+]c2cc(C(=O)NC[C@@H](O)C[NH2+]CCO)ccn12 ZINC001272415583 827795621 /nfs/dbraw/zinc/79/56/21/827795621.db2.gz YYZJKILEBGWDKQ-LBPRGKRZSA-N 2 2 292.339 -0.685 20 0 CBADLP COCCCC[NH+]1CC2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273525646 827908865 /nfs/dbraw/zinc/90/88/65/827908865.db2.gz LYACQVLFHPBAJM-UHFFFAOYSA-N 2 2 299.415 -0.112 20 0 CBADLP CC(C)[NH+]1CC2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273916546 827941113 /nfs/dbraw/zinc/94/11/13/827941113.db2.gz XWFKHPIRXRWRHG-UHFFFAOYSA-N 2 2 255.362 -0.130 20 0 CBADLP CCC(=O)C[N@@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273951250 827946273 /nfs/dbraw/zinc/94/62/73/827946273.db2.gz OSGCIURCXWZBDB-HNNXBMFYSA-N 2 2 297.399 -0.170 20 0 CBADLP CCC(=O)C[N@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273951250 827946277 /nfs/dbraw/zinc/94/62/77/827946277.db2.gz OSGCIURCXWZBDB-HNNXBMFYSA-N 2 2 297.399 -0.170 20 0 CBADLP C[NH+](C)CCN1CC2(C[NH+](CC(C)(C)CO)C2)OCC1=O ZINC001274055899 827961254 /nfs/dbraw/zinc/96/12/54/827961254.db2.gz XCROKSQJYROULW-UHFFFAOYSA-N 2 2 299.415 -0.520 20 0 CBADLP Cn1c[nH+]cc1CN1CC[C@@]2(CC[N@H+](CC(N)=O)C2)C1=O ZINC001274061975 827962680 /nfs/dbraw/zinc/96/26/80/827962680.db2.gz QDJMYYNXIIGONJ-CQSZACIVSA-N 2 2 291.355 -0.670 20 0 CBADLP Cn1c[nH+]cc1CN1CC[C@@]2(CC[N@@H+](CC(N)=O)C2)C1=O ZINC001274061975 827962684 /nfs/dbraw/zinc/96/26/84/827962684.db2.gz QDJMYYNXIIGONJ-CQSZACIVSA-N 2 2 291.355 -0.670 20 0 CBADLP C[C@H](O)C[NH2+]C/C=C/CNC(=O)CCc1c[nH]c[nH+]1 ZINC001274082897 827968318 /nfs/dbraw/zinc/96/83/18/827968318.db2.gz VHLVVSHIIQLVJH-VUDBWIFFSA-N 2 2 266.345 -0.015 20 0 CBADLP C[C@H](O)C[NH2+]C/C=C/CNC(=O)CCc1c[nH+]c[nH]1 ZINC001274082897 827968321 /nfs/dbraw/zinc/96/83/21/827968321.db2.gz VHLVVSHIIQLVJH-VUDBWIFFSA-N 2 2 266.345 -0.015 20 0 CBADLP C[C@@H]([NH2+]C/C=C/CNC(=O)CCc1[nH+]ccn1C)C(N)=O ZINC001274228387 827975246 /nfs/dbraw/zinc/97/52/46/827975246.db2.gz QABAKFDOMDBYTK-PGLGOXFNSA-N 2 2 293.371 -0.512 20 0 CBADLP CN1CC[C@@H]([NH2+]C/C=C\CNC(=O)Cc2c[nH]c[nH+]2)C1=O ZINC001274391792 827986613 /nfs/dbraw/zinc/98/66/13/827986613.db2.gz AKMQPKVPBBFGFM-ZZKXABKFSA-N 2 2 291.355 -0.555 20 0 CBADLP CC[C@@H](C(=O)NC/C=C\C[NH2+]Cc1cnn(C)n1)[NH+](C)C ZINC001274507106 827994456 /nfs/dbraw/zinc/99/44/56/827994456.db2.gz DXUPMRCLEAVYJS-FWWRYZNZSA-N 2 2 294.403 -0.083 20 0 CBADLP O=C(C[NH+]1CCCC1)NC/C=C\C[NH2+]Cc1cnon1 ZINC001274579193 828004515 /nfs/dbraw/zinc/00/45/15/828004515.db2.gz RPEVMYCVCHQOKL-UPHRSURJSA-N 2 2 279.344 -0.073 20 0 CBADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[N@H+](C)CCCO ZINC001275963952 828126506 /nfs/dbraw/zinc/12/65/06/828126506.db2.gz WMGBNWWAPXKXLD-SNVBAGLBSA-N 2 2 254.334 -0.229 20 0 CBADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[N@@H+](C)CCCO ZINC001275963952 828126509 /nfs/dbraw/zinc/12/65/09/828126509.db2.gz WMGBNWWAPXKXLD-SNVBAGLBSA-N 2 2 254.334 -0.229 20 0 CBADLP CN(CCC[NH2+][C@@H]1CCNC1=O)C(=O)Cc1c[nH+]c[nH]1 ZINC001276245604 828138903 /nfs/dbraw/zinc/13/89/03/828138903.db2.gz PKXSPRJHORDVSK-LLVKDONJSA-N 2 2 279.344 -0.721 20 0 CBADLP CN(CCC[NH2+][C@H]1CCNC1=O)C(=O)Cc1c[nH+]cn1C ZINC001276332761 828142661 /nfs/dbraw/zinc/14/26/61/828142661.db2.gz JQUAJQSYWUKBEX-LBPRGKRZSA-N 2 2 293.371 -0.711 20 0 CBADLP COC(C[N@H+]1C[C@H]2CN(CC[NH+](C)C)C[C@@H](C1)O2)OC ZINC001276641913 828153795 /nfs/dbraw/zinc/15/37/95/828153795.db2.gz DENPQVLLNYUNJN-BETUJISGSA-N 2 2 287.404 -0.448 20 0 CBADLP COC(C[N@@H+]1C[C@H]2CN(CC[NH+](C)C)C[C@@H](C1)O2)OC ZINC001276641913 828153798 /nfs/dbraw/zinc/15/37/98/828153798.db2.gz DENPQVLLNYUNJN-BETUJISGSA-N 2 2 287.404 -0.448 20 0 CBADLP CN(C)C(=O)C[NH+]1CC2(CN(Cc3c[nH+]ccc3N)C2)C1 ZINC001276713094 828156635 /nfs/dbraw/zinc/15/66/35/828156635.db2.gz GTDLOBLPPRNZIJ-UHFFFAOYSA-N 2 2 289.383 -0.300 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001276954809 828169104 /nfs/dbraw/zinc/16/91/04/828169104.db2.gz DBQPZYOYTPZSHB-VXGBXAGGSA-N 2 2 284.404 -0.217 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001276954809 828169107 /nfs/dbraw/zinc/16/91/07/828169107.db2.gz DBQPZYOYTPZSHB-VXGBXAGGSA-N 2 2 284.404 -0.217 20 0 CBADLP CC(=O)NCC[NH+]1CC2(CCN2CC[NH+](C)C)C1 ZINC001277909902 828218155 /nfs/dbraw/zinc/21/81/55/828218155.db2.gz HNVMMKHXWVTOIK-UHFFFAOYSA-N 2 2 254.378 -0.556 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@H](C[NH2+]CCO)C1 ZINC001277092360 828174869 /nfs/dbraw/zinc/17/48/69/828174869.db2.gz CJGKSWKUFNASEK-XYPYZODXSA-N 2 2 252.318 -0.640 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]CCC[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001277306770 828182555 /nfs/dbraw/zinc/18/25/55/828182555.db2.gz ZNXYQHXHCKOFQJ-WDEREUQCSA-N 2 2 295.387 -0.039 20 0 CBADLP CN(C(=O)CC[NH+](C)C)C1C[NH+](CCOCCO)C1 ZINC001277651975 828201221 /nfs/dbraw/zinc/20/12/21/828201221.db2.gz LWQZFDGRDVCUBA-UHFFFAOYSA-N 2 2 273.377 -0.910 20 0 CBADLP COCCOC[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](C)C[C@H]12 ZINC001277898765 828216213 /nfs/dbraw/zinc/21/62/13/828216213.db2.gz NRSBSXLFDMCXHI-CHWSQXEVSA-N 2 2 297.399 -0.251 20 0 CBADLP COCCOC[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](C)C[C@H]12 ZINC001277898765 828216218 /nfs/dbraw/zinc/21/62/18/828216218.db2.gz NRSBSXLFDMCXHI-CHWSQXEVSA-N 2 2 297.399 -0.251 20 0 CBADLP CC(=O)[C@H](C)[N@@H+]1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001277886115 828216576 /nfs/dbraw/zinc/21/65/76/828216576.db2.gz NLOZRUFIUSWVCT-UBHSHLNASA-N 2 2 269.389 -0.090 20 0 CBADLP CC(=O)[C@H](C)[N@H+]1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001277886115 828216582 /nfs/dbraw/zinc/21/65/82/828216582.db2.gz NLOZRUFIUSWVCT-UBHSHLNASA-N 2 2 269.389 -0.090 20 0 CBADLP CC(=O)[C@H](C)[N@H+]1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001277886121 828216642 /nfs/dbraw/zinc/21/66/42/828216642.db2.gz NLOZRUFIUSWVCT-YUTCNCBUSA-N 2 2 269.389 -0.090 20 0 CBADLP CC(=O)[C@H](C)[N@@H+]1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001277886121 828216648 /nfs/dbraw/zinc/21/66/48/828216648.db2.gz NLOZRUFIUSWVCT-YUTCNCBUSA-N 2 2 269.389 -0.090 20 0 CBADLP C[C@@H](O)C[N@@H+]1C[C@@H]2OCCN(CCn3cc[nH+]c3)[C@H]2C1 ZINC001277960448 828222184 /nfs/dbraw/zinc/22/21/84/828222184.db2.gz IYBWMJYLMWQNRR-RDBSUJKOSA-N 2 2 280.372 -0.351 20 0 CBADLP C[C@@H](O)C[N@H+]1C[C@@H]2OCCN(CCn3cc[nH+]c3)[C@H]2C1 ZINC001277960448 828222190 /nfs/dbraw/zinc/22/21/90/828222190.db2.gz IYBWMJYLMWQNRR-RDBSUJKOSA-N 2 2 280.372 -0.351 20 0 CBADLP C[C@H](O)C[NH+]1CC2(CN(CCn3cc[nH+]c3)C2)C1 ZINC001277961495 828224005 /nfs/dbraw/zinc/22/40/05/828224005.db2.gz YQIBPNAVETXZMJ-LBPRGKRZSA-N 2 2 250.346 -0.119 20 0 CBADLP C[C@H](CO)C[N@H+]1C[C@H]2CN(CCn3cc[nH+]c3)C[C@@H](C1)O2 ZINC001277998462 828229587 /nfs/dbraw/zinc/22/95/87/828229587.db2.gz KQMYSVYCRJVSTD-SOUVJXGZSA-N 2 2 294.399 -0.104 20 0 CBADLP C[C@H](CO)C[N@@H+]1C[C@H]2CN(CCn3cc[nH+]c3)C[C@@H](C1)O2 ZINC001277998462 828229594 /nfs/dbraw/zinc/22/95/94/828229594.db2.gz KQMYSVYCRJVSTD-SOUVJXGZSA-N 2 2 294.399 -0.104 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[C@H](C[NH2+]CCO)C1 ZINC001278606799 828275077 /nfs/dbraw/zinc/27/50/77/828275077.db2.gz BQCOHYVOWXRNSZ-RYUDHWBXSA-N 2 2 280.372 -0.171 20 0 CBADLP COc1cc[nH+]cc1CC(=O)N(C)C[C@H](O)C[NH2+]CCO ZINC001278774003 828286641 /nfs/dbraw/zinc/28/66/41/828286641.db2.gz OYSBRHGVJNBDFB-GFCCVEGCSA-N 2 2 297.355 -0.966 20 0 CBADLP CN(C[C@@H](O)C[NH2+]CCF)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001278774603 828286829 /nfs/dbraw/zinc/28/68/29/828286829.db2.gz XRPOGZCIANMOKU-RYUDHWBXSA-N 2 2 298.362 -0.176 20 0 CBADLP CC[C@H](C(=O)NCC1(O)C[NH+](CCCOC)C1)[NH+](C)C ZINC001278922450 828310395 /nfs/dbraw/zinc/31/03/95/828310395.db2.gz FYMLSZHLJKNNFT-GFCCVEGCSA-N 2 2 287.404 -0.474 20 0 CBADLP CC(C)[N@@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](O)C1 ZINC001090601012 884646041 /nfs/dbraw/zinc/64/60/41/884646041.db2.gz OHPBZLNXAIRRGN-NWDGAFQWSA-N 2 2 266.345 -0.088 20 0 CBADLP CC(C)[N@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](O)C1 ZINC001090601012 884646049 /nfs/dbraw/zinc/64/60/49/884646049.db2.gz OHPBZLNXAIRRGN-NWDGAFQWSA-N 2 2 266.345 -0.088 20 0 CBADLP C[C@@]1(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)CC[NH2+]C1 ZINC001326237308 884952428 /nfs/dbraw/zinc/95/24/28/884952428.db2.gz VVNPBRHIQOTKIC-ZIAGYGMSSA-N 3 2 252.406 -0.035 20 0 CBADLP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001326368411 885007401 /nfs/dbraw/zinc/00/74/01/885007401.db2.gz BMZFYJXOCWUYPR-AXFHLTTASA-N 2 2 268.361 -0.950 20 0 CBADLP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001326368411 885007412 /nfs/dbraw/zinc/00/74/12/885007412.db2.gz BMZFYJXOCWUYPR-AXFHLTTASA-N 2 2 268.361 -0.950 20 0 CBADLP NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C[C@@H]([NH3+])C2CC2)C1 ZINC001326372048 885007461 /nfs/dbraw/zinc/00/74/61/885007461.db2.gz XCHMJWYQKOHBPN-GHMZBOCLSA-N 2 2 268.361 -0.820 20 0 CBADLP NC(=O)C[N@H+]1CCC[C@@H](NC(=O)C[C@@H]([NH3+])C2CC2)C1 ZINC001326372048 885007471 /nfs/dbraw/zinc/00/74/71/885007471.db2.gz XCHMJWYQKOHBPN-GHMZBOCLSA-N 2 2 268.361 -0.820 20 0 CBADLP C[N@@H+]1CC[C@@](O)(CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001326849720 885173718 /nfs/dbraw/zinc/17/37/18/885173718.db2.gz SCTAVXGJYZAZBE-GFCCVEGCSA-N 2 2 252.318 -0.475 20 0 CBADLP C[N@H+]1CC[C@@](O)(CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001326849720 885173729 /nfs/dbraw/zinc/17/37/29/885173729.db2.gz SCTAVXGJYZAZBE-GFCCVEGCSA-N 2 2 252.318 -0.475 20 0 CBADLP C[N@@H+]1CC[C@@](O)(CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001326849720 885173743 /nfs/dbraw/zinc/17/37/43/885173743.db2.gz SCTAVXGJYZAZBE-GFCCVEGCSA-N 2 2 252.318 -0.475 20 0 CBADLP C[N@H+]1CC[C@@](O)(CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001326849720 885173752 /nfs/dbraw/zinc/17/37/52/885173752.db2.gz SCTAVXGJYZAZBE-GFCCVEGCSA-N 2 2 252.318 -0.475 20 0 CBADLP CNC(=O)CC1CC[NH+](C[C@H]2C[NH2+]CCO2)CC1 ZINC001328437655 885687113 /nfs/dbraw/zinc/68/71/13/885687113.db2.gz RBVCAJKZOFUMNP-GFCCVEGCSA-N 2 2 255.362 -0.177 20 0 CBADLP O[C@@H]1CC[N@H+](C2CC[NH+](CCn3cncn3)CC2)C1 ZINC001329926873 886280920 /nfs/dbraw/zinc/28/09/20/886280920.db2.gz WRBJIJUXBXNHIO-CYBMUJFWSA-N 2 2 265.361 -0.191 20 0 CBADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H](C[NH3+])OC ZINC001330882513 886612719 /nfs/dbraw/zinc/61/27/19/886612719.db2.gz GNFPEIZNSJIGPO-MNOVXSKESA-N 2 2 259.350 -0.813 20 0 CBADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@H](C[NH3+])OC ZINC001330882513 886612722 /nfs/dbraw/zinc/61/27/22/886612722.db2.gz GNFPEIZNSJIGPO-MNOVXSKESA-N 2 2 259.350 -0.813 20 0 CBADLP CC[NH2+][C@H](CO)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001331726179 886938592 /nfs/dbraw/zinc/93/85/92/886938592.db2.gz RZVCMSVVGIEFQL-IVZWLZJFSA-N 2 2 252.318 -0.400 20 0 CBADLP CC[NH2+][C@H](CO)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001331726179 886938603 /nfs/dbraw/zinc/93/86/03/886938603.db2.gz RZVCMSVVGIEFQL-IVZWLZJFSA-N 2 2 252.318 -0.400 20 0 CBADLP CC(=O)N1C[C@@H]2C[N@@H+](C[C@H]3C[NH2+]CCO3)C[C@@H]2C1 ZINC001331933059 887050836 /nfs/dbraw/zinc/05/08/36/887050836.db2.gz LPNAIXWSBMJANJ-FRRDWIJNSA-N 2 2 253.346 -0.615 20 0 CBADLP CC(=O)N1C[C@@H]2C[N@H+](C[C@H]3C[NH2+]CCO3)C[C@@H]2C1 ZINC001331933059 887050843 /nfs/dbraw/zinc/05/08/43/887050843.db2.gz LPNAIXWSBMJANJ-FRRDWIJNSA-N 2 2 253.346 -0.615 20 0 CBADLP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1nnc2n1CCNC2=O ZINC001334391709 887947976 /nfs/dbraw/zinc/94/79/76/887947976.db2.gz XZDGVRRWNQFBBQ-DTWKUNHWSA-N 2 2 264.333 -0.762 20 0 CBADLP C[C@H](C[NH2+]CCS(C)(=O)=O)N1CC[NH+](C)CC1 ZINC001335399917 888522823 /nfs/dbraw/zinc/52/28/23/888522823.db2.gz KXKDLWPTKKVQMV-LLVKDONJSA-N 2 2 263.407 -0.744 20 0 CBADLP C[C@@H]1CN(c2cc[nH+]c(N)n2)C[C@H](C)[N@H+]1CCO ZINC001337186133 888971836 /nfs/dbraw/zinc/97/18/36/888971836.db2.gz PGVWMUSGBFZFTM-AOOOYVTPSA-N 2 2 251.334 -0.050 20 0 CBADLP C[C@@H]1CN(c2cc[nH+]c(N)n2)C[C@H](C)[N@@H+]1CCO ZINC001337186133 888971849 /nfs/dbraw/zinc/97/18/49/888971849.db2.gz PGVWMUSGBFZFTM-AOOOYVTPSA-N 2 2 251.334 -0.050 20 0 CBADLP CC(C)OCC[NH+]1CCN(C(=O)CNCC[NH3+])CC1 ZINC001340873240 889502578 /nfs/dbraw/zinc/50/25/78/889502578.db2.gz PLYBIIIUFPAPFD-UHFFFAOYSA-N 2 2 272.393 -0.896 20 0 CBADLP CN(CCCn1cc[nH+]c1)C(=O)[C@H]1C[NH2+]CCN1C ZINC001341019617 889532081 /nfs/dbraw/zinc/53/20/81/889532081.db2.gz KETXFFIUSNKIMM-GFCCVEGCSA-N 2 2 265.361 -0.365 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)Cc2ccon2)CC1 ZINC001341056943 889536558 /nfs/dbraw/zinc/53/65/58/889536558.db2.gz QIPFESTXCBJFRI-UHFFFAOYSA-N 2 2 252.318 -0.244 20 0 CBADLP [NH3+][C@H](CO)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001341517302 889612553 /nfs/dbraw/zinc/61/25/53/889612553.db2.gz YXQOVTFETIGTQI-SNVBAGLBSA-N 2 2 250.302 -0.950 20 0 CBADLP CCNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001443576273 912235558 /nfs/dbraw/zinc/23/55/58/912235558.db2.gz DJVYEWWQWXSOAQ-DGCLKSJQSA-N 2 2 296.415 -0.489 20 0 CBADLP CCNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001443576273 912235578 /nfs/dbraw/zinc/23/55/78/912235578.db2.gz DJVYEWWQWXSOAQ-DGCLKSJQSA-N 2 2 296.415 -0.489 20 0 CBADLP NC(=O)C[NH+]1CC(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001443653564 912248869 /nfs/dbraw/zinc/24/88/69/912248869.db2.gz PDDNXURNIAGWJP-UHFFFAOYSA-N 2 2 282.388 -0.604 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+](C)C(C)C ZINC001443690820 912260117 /nfs/dbraw/zinc/26/01/17/912260117.db2.gz BDJIMECMXXSYFM-AGIUHOORSA-N 2 2 296.415 -0.254 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+](C)C(C)C ZINC001443690820 912260131 /nfs/dbraw/zinc/26/01/31/912260131.db2.gz BDJIMECMXXSYFM-AGIUHOORSA-N 2 2 296.415 -0.254 20 0 CBADLP CNC(=O)[C@@H](C)[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@H+](C)C(C)C ZINC001443690820 912260147 /nfs/dbraw/zinc/26/01/47/912260147.db2.gz BDJIMECMXXSYFM-AGIUHOORSA-N 2 2 296.415 -0.254 20 0 CBADLP CNC(=O)[C@@H](C)[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+](C)C(C)C ZINC001443690820 912260160 /nfs/dbraw/zinc/26/01/60/912260160.db2.gz BDJIMECMXXSYFM-AGIUHOORSA-N 2 2 296.415 -0.254 20 0 CBADLP C[NH+](C)CCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H]1CCNC1=O ZINC001443692192 912260667 /nfs/dbraw/zinc/26/06/67/912260667.db2.gz WCRPCWNNIAIZNJ-AVGNSLFASA-N 2 2 294.399 -0.498 20 0 CBADLP C[NH+](C)CCCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CCNC1=O ZINC001443692192 912260687 /nfs/dbraw/zinc/26/06/87/912260687.db2.gz WCRPCWNNIAIZNJ-AVGNSLFASA-N 2 2 294.399 -0.498 20 0 CBADLP CCN(C(=O)C[NH+](C)C(C)C)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001443882072 912292377 /nfs/dbraw/zinc/29/23/77/912292377.db2.gz RXBLCDLEBDMWOQ-LBPRGKRZSA-N 2 2 284.404 -0.265 20 0 CBADLP CCN(C(=O)C[NH+](C)C(C)C)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001443882072 912292399 /nfs/dbraw/zinc/29/23/99/912292399.db2.gz RXBLCDLEBDMWOQ-LBPRGKRZSA-N 2 2 284.404 -0.265 20 0 CBADLP CCN(C(=O)C[N@H+](C)C(C)C)[C@H]1CC[NH+](CC(N)=O)C1 ZINC001443882072 912292410 /nfs/dbraw/zinc/29/24/10/912292410.db2.gz RXBLCDLEBDMWOQ-LBPRGKRZSA-N 2 2 284.404 -0.265 20 0 CBADLP CCN(C(=O)C[N@@H+](C)C(C)C)[C@H]1CC[NH+](CC(N)=O)C1 ZINC001443882072 912292433 /nfs/dbraw/zinc/29/24/33/912292433.db2.gz RXBLCDLEBDMWOQ-LBPRGKRZSA-N 2 2 284.404 -0.265 20 0 CBADLP CCN(C(=O)C[NH+](C)C1CCC1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001443856627 912294492 /nfs/dbraw/zinc/29/44/92/912294492.db2.gz AYIIGPGTULJOKC-CYBMUJFWSA-N 2 2 296.415 -0.121 20 0 CBADLP CCN(C(=O)C[NH+](C)C1CCC1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001443856627 912294506 /nfs/dbraw/zinc/29/45/06/912294506.db2.gz AYIIGPGTULJOKC-CYBMUJFWSA-N 2 2 296.415 -0.121 20 0 CBADLP CCN(C(=O)C[N@H+](C)C1CCC1)[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001443856627 912294520 /nfs/dbraw/zinc/29/45/20/912294520.db2.gz AYIIGPGTULJOKC-CYBMUJFWSA-N 2 2 296.415 -0.121 20 0 CBADLP CCN(C(=O)C[N@@H+](C)C1CCC1)[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001443856627 912294536 /nfs/dbraw/zinc/29/45/36/912294536.db2.gz AYIIGPGTULJOKC-CYBMUJFWSA-N 2 2 296.415 -0.121 20 0 CBADLP CC[C@@H](CNC(=O)CCn1cc[nH+]c1)[NH2+][C@@H](C)C(=O)NC ZINC001443965356 912318239 /nfs/dbraw/zinc/31/82/39/912318239.db2.gz BCKNCROSMJJEDM-RYUDHWBXSA-N 2 2 295.387 -0.108 20 0 CBADLP CC[C@H](CNC(=O)CCn1cc[nH+]c1)[NH2+][C@@H](C)C(=O)NC ZINC001443965353 912319173 /nfs/dbraw/zinc/31/91/73/912319173.db2.gz BCKNCROSMJJEDM-NWDGAFQWSA-N 2 2 295.387 -0.108 20 0 CBADLP CC[C@@H](CNC(=O)Cc1[nH]c[nH+]c1C)[NH2+][C@H](C)C(=O)NC ZINC001444017004 912329150 /nfs/dbraw/zinc/32/91/50/912329150.db2.gz MPVTYNWBTUORSY-MNOVXSKESA-N 2 2 295.387 -0.120 20 0 CBADLP C[C@H](NC(=O)[C@@H]1CCC[C@@H]1[NH3+])[C@H]1CN(C)CC[N@@H+]1C ZINC001343492906 889921932 /nfs/dbraw/zinc/92/19/32/889921932.db2.gz WKERLNODCCCXKZ-QNWHQSFQSA-N 2 2 268.405 -0.136 20 0 CBADLP C[C@H](NC(=O)[C@@H]1CCC[C@@H]1[NH3+])[C@H]1CN(C)CC[N@H+]1C ZINC001343492906 889921950 /nfs/dbraw/zinc/92/19/50/889921950.db2.gz WKERLNODCCCXKZ-QNWHQSFQSA-N 2 2 268.405 -0.136 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)C[NH2+]CC(N)=O ZINC001444341504 912425766 /nfs/dbraw/zinc/42/57/66/912425766.db2.gz CFTLRFJLZPUKMW-WDEREUQCSA-N 2 2 293.371 -0.727 20 0 CBADLP C[C@@H](CNC(=O)CCc1[nH+]ccn1C)C[NH2+][C@@H](C)C(N)=O ZINC001444343915 912430501 /nfs/dbraw/zinc/43/05/01/912430501.db2.gz CZMVICPASMBNOM-MNOVXSKESA-N 2 2 295.387 -0.432 20 0 CBADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)C[NH2+]Cc1nncn1C ZINC001444368193 912435039 /nfs/dbraw/zinc/43/50/39/912435039.db2.gz DQVJRRIQFAZDAV-JTQLQIEISA-N 2 2 291.359 -0.377 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]C[C@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001444415912 912446950 /nfs/dbraw/zinc/44/69/50/912446950.db2.gz ATOQFTQQACJEQK-ONGXEEELSA-N 2 2 295.387 -0.263 20 0 CBADLP NC(=O)C[NH2+]C1(CNC(=O)CCc2c[nH]c[nH+]2)CCCC1 ZINC001444495955 912457109 /nfs/dbraw/zinc/45/71/09/912457109.db2.gz CVGRKDNIXLHGRR-UHFFFAOYSA-N 2 2 293.371 -0.154 20 0 CBADLP NC(=O)C[NH2+]C1(CNC(=O)CCc2c[nH+]c[nH]2)CCCC1 ZINC001444495955 912457120 /nfs/dbraw/zinc/45/71/20/912457120.db2.gz CVGRKDNIXLHGRR-UHFFFAOYSA-N 2 2 293.371 -0.154 20 0 CBADLP C[C@@H](C[NH2+]Cc1ncnn1C)N(C)C(=O)Cn1cc[nH+]c1 ZINC001444736442 912498884 /nfs/dbraw/zinc/49/88/84/912498884.db2.gz YNNWPVRJQFKXEX-NSHDSACASA-N 2 2 291.359 -0.352 20 0 CBADLP CNC(=O)C[N@H+](C)CCN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001444994903 912540671 /nfs/dbraw/zinc/54/06/71/912540671.db2.gz UJWRGOZHJHBURB-ZDUSSCGKSA-N 2 2 286.420 -0.291 20 0 CBADLP CNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001444994903 912540688 /nfs/dbraw/zinc/54/06/88/912540688.db2.gz UJWRGOZHJHBURB-ZDUSSCGKSA-N 2 2 286.420 -0.291 20 0 CBADLP CNC(=O)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001445103198 912555785 /nfs/dbraw/zinc/55/57/85/912555785.db2.gz DBAWIVMKIJXMOU-MNOVXSKESA-N 2 2 293.371 -0.427 20 0 CBADLP C[C@@H](NC(=O)[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001346228793 890241341 /nfs/dbraw/zinc/24/13/41/890241341.db2.gz MEZGFYYOSILBMF-WYUUTHIRSA-N 2 2 254.378 -0.526 20 0 CBADLP C[C@@H](NC(=O)[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CN(C)CC[N@H+]1C ZINC001346228793 890241354 /nfs/dbraw/zinc/24/13/54/890241354.db2.gz MEZGFYYOSILBMF-WYUUTHIRSA-N 2 2 254.378 -0.526 20 0 CBADLP CCOCC[C@H](O)C[NH2+][C@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC001346251245 890249734 /nfs/dbraw/zinc/24/97/34/890249734.db2.gz KQWITVGHKRMMGA-HZSPNIEDSA-N 2 2 273.421 -0.002 20 0 CBADLP C[N@H+](CC(=O)NC[C@@H](O)C[NH2+]Cc1cnon1)C1CCC1 ZINC001445200661 912597529 /nfs/dbraw/zinc/59/75/29/912597529.db2.gz UFJZDBZEVRNISQ-LBPRGKRZSA-N 2 2 297.359 -0.879 20 0 CBADLP C[N@@H+](CC(=O)NC[C@@H](O)C[NH2+]Cc1cnon1)C1CCC1 ZINC001445200661 912597553 /nfs/dbraw/zinc/59/75/53/912597553.db2.gz UFJZDBZEVRNISQ-LBPRGKRZSA-N 2 2 297.359 -0.879 20 0 CBADLP CC[C@@H](F)C[NH2+]C[C@@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001445277089 912620662 /nfs/dbraw/zinc/62/06/62/912620662.db2.gz PRIOUDLRLGYYTK-NXEZZACHSA-N 2 2 272.324 -0.233 20 0 CBADLP C[C@@H]([NH2+]CC[C@H](C)NC(=O)CCn1cc[nH+]c1)C(N)=O ZINC001445316850 912632511 /nfs/dbraw/zinc/63/25/11/912632511.db2.gz QWTUVNNOCYTOPN-WDEREUQCSA-N 2 2 281.360 -0.369 20 0 CBADLP C[C@H](C[NH2+]CC(N)=O)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001445395841 912656666 /nfs/dbraw/zinc/65/66/66/912656666.db2.gz LXROBKAIBWTEBQ-NXEZZACHSA-N 2 2 279.344 -0.975 20 0 CBADLP CC[C@@H]([NH2+]C[C@@H](C)NC(=O)CCc1[nH+]ccn1C)C(N)=O ZINC001445420151 912661756 /nfs/dbraw/zinc/66/17/56/912661756.db2.gz NONSKMOFBLYZHF-GHMZBOCLSA-N 2 2 295.387 -0.289 20 0 CBADLP CC[C@H]([NH2+]C[C@@H](C)NC(=O)Cc1c[nH+]cn1C)C(N)=O ZINC001445477631 912672340 /nfs/dbraw/zinc/67/23/40/912672340.db2.gz XRULLVWGAJHGPV-KOLCDFICSA-N 2 2 281.360 -0.679 20 0 CBADLP COC[C@@H](O)C[N@H+](C)C[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001445850453 912771466 /nfs/dbraw/zinc/77/14/66/912771466.db2.gz GDAALFACCOPOSV-JQWIXIFHSA-N 2 2 298.387 -0.296 20 0 CBADLP COC[C@@H](O)C[N@@H+](C)C[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001445850453 912771475 /nfs/dbraw/zinc/77/14/75/912771475.db2.gz GDAALFACCOPOSV-JQWIXIFHSA-N 2 2 298.387 -0.296 20 0 CBADLP CC[N@H+](C)CCC(=O)NC[C@H]1CC[NH+]1[C@@H](C)C(=O)NC ZINC001446131778 912820034 /nfs/dbraw/zinc/82/00/34/912820034.db2.gz SCANIOIVVHHGAQ-NWDGAFQWSA-N 2 2 284.404 -0.347 20 0 CBADLP CC[N@@H+](C)CCC(=O)NC[C@H]1CC[NH+]1[C@@H](C)C(=O)NC ZINC001446131778 912820043 /nfs/dbraw/zinc/82/00/43/912820043.db2.gz SCANIOIVVHHGAQ-NWDGAFQWSA-N 2 2 284.404 -0.347 20 0 CBADLP CC[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+]1[C@@H](C)C(=O)NC ZINC001446131778 912820060 /nfs/dbraw/zinc/82/00/60/912820060.db2.gz SCANIOIVVHHGAQ-NWDGAFQWSA-N 2 2 284.404 -0.347 20 0 CBADLP CC[NH+](C)CCC(=O)NC[C@H]1CC[N@H+]1[C@@H](C)C(=O)NC ZINC001446131778 912820080 /nfs/dbraw/zinc/82/00/80/912820080.db2.gz SCANIOIVVHHGAQ-NWDGAFQWSA-N 2 2 284.404 -0.347 20 0 CBADLP Cn1cnnc1C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000150275019 884559535 /nfs/dbraw/zinc/55/95/35/884559535.db2.gz SOMLCCQFAKXDOA-SNVBAGLBSA-N 2 2 266.349 -0.898 20 0 CBADLP Cn1cnnc1C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000150275019 884559546 /nfs/dbraw/zinc/55/95/46/884559546.db2.gz SOMLCCQFAKXDOA-SNVBAGLBSA-N 2 2 266.349 -0.898 20 0 CBADLP O=C(NC[C@@H]1CC[N@@H+](CCO)C1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001028642276 884614636 /nfs/dbraw/zinc/61/46/36/884614636.db2.gz RPUCUYXPGOSSLW-QWHCGFSZSA-N 2 2 292.383 -0.124 20 0 CBADLP O=C(NC[C@@H]1CC[N@H+](CCO)C1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001028642276 884614643 /nfs/dbraw/zinc/61/46/43/884614643.db2.gz RPUCUYXPGOSSLW-QWHCGFSZSA-N 2 2 292.383 -0.124 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1CC[N@@H+](CC2CC2)C[C@H]1O ZINC001090602611 884646168 /nfs/dbraw/zinc/64/61/68/884646168.db2.gz ZSOWCESJYAJIFG-QWHCGFSZSA-N 2 2 278.356 -0.086 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1CC[N@H+](CC2CC2)C[C@H]1O ZINC001090602611 884646173 /nfs/dbraw/zinc/64/61/73/884646173.db2.gz ZSOWCESJYAJIFG-QWHCGFSZSA-N 2 2 278.356 -0.086 20 0 CBADLP CO[C@@H]1C[N@H+](CCF)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213378624 884778111 /nfs/dbraw/zinc/77/81/11/884778111.db2.gz ZLCAPJGNZCQSAO-GHMZBOCLSA-N 2 2 261.341 -0.277 20 0 CBADLP CO[C@@H]1C[N@@H+](CCF)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213378624 884778124 /nfs/dbraw/zinc/77/81/24/884778124.db2.gz ZLCAPJGNZCQSAO-GHMZBOCLSA-N 2 2 261.341 -0.277 20 0 CBADLP O=C([C@H]1CCn2cc[nH+]c2C1)N(CCO)CC[NH2+]CCF ZINC001326044359 884882454 /nfs/dbraw/zinc/88/24/54/884882454.db2.gz CGMITHYDUJZTSU-LBPRGKRZSA-N 2 2 298.362 -0.175 20 0 CBADLP C[C@]1(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)CC[NH2+]C1 ZINC001326237305 884952777 /nfs/dbraw/zinc/95/27/77/884952777.db2.gz VVNPBRHIQOTKIC-KBPBESRZSA-N 3 2 252.406 -0.035 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@H](C)[C@H](C)[NH3+] ZINC001326244886 884955859 /nfs/dbraw/zinc/95/58/59/884955859.db2.gz KJWQIAJVYZHBFM-UTLUCORTSA-N 2 2 257.334 -0.667 20 0 CBADLP C[NH2+]C[C@@H]1CCN(C(=O)[C@H](C)[NH+]2CCN(C)CC2)C1 ZINC001326309524 884979241 /nfs/dbraw/zinc/97/92/41/884979241.db2.gz NDLVLWSJRNMMEX-STQMWFEESA-N 2 2 268.405 -0.310 20 0 CBADLP C[C@@H](C(=O)NCCN1CC[NH2+]CC1)n1cc[nH+]c1 ZINC001326370790 885006065 /nfs/dbraw/zinc/00/60/65/885006065.db2.gz HXMRAVVJXLRASK-NSHDSACASA-N 2 2 251.334 -0.535 20 0 CBADLP C[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001326368417 885008371 /nfs/dbraw/zinc/00/83/71/885008371.db2.gz BMZFYJXOCWUYPR-GARJFASQSA-N 2 2 268.361 -0.950 20 0 CBADLP C[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001326368417 885008387 /nfs/dbraw/zinc/00/83/87/885008387.db2.gz BMZFYJXOCWUYPR-GARJFASQSA-N 2 2 268.361 -0.950 20 0 CBADLP CNC(=O)C[NH2+]CC[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001326398593 885017616 /nfs/dbraw/zinc/01/76/16/885017616.db2.gz RALGWRBWRGIWJQ-NSHDSACASA-N 2 2 293.371 -0.474 20 0 CBADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)C[C@H]([NH3+])C1CC1 ZINC001326557311 885064301 /nfs/dbraw/zinc/06/43/01/885064301.db2.gz UGIHJGGHFZOHFL-WDEREUQCSA-N 2 2 269.345 -0.523 20 0 CBADLP C[C@@H]1C[C@H]([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)CC[N@@H+]1C ZINC001326599742 885081796 /nfs/dbraw/zinc/08/17/96/885081796.db2.gz PUCPHEPOUGCBGZ-KFWWJZLASA-N 3 2 284.448 -0.333 20 0 CBADLP C[C@@H]1C[C@H]([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)CC[N@H+]1C ZINC001326599742 885081803 /nfs/dbraw/zinc/08/18/03/885081803.db2.gz PUCPHEPOUGCBGZ-KFWWJZLASA-N 3 2 284.448 -0.333 20 0 CBADLP O=C(CCn1cc[nH+]c1)N1CCO[C@@H](C[NH2+]CCCO)C1 ZINC001327020696 885225892 /nfs/dbraw/zinc/22/58/92/885225892.db2.gz UNGAVRSDCXZELC-ZDUSSCGKSA-N 2 2 296.371 -0.527 20 0 CBADLP C[C@]1(C[NH2+]CC(N)=O)CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001446593688 912912501 /nfs/dbraw/zinc/91/25/01/912912501.db2.gz KKQPAXYEZPNLMU-CYBMUJFWSA-N 2 2 279.344 -0.734 20 0 CBADLP [NH3+]CCOCC[NH+]1CCN(C(=O)N2CCOCC2)CC1 ZINC001327087042 885253655 /nfs/dbraw/zinc/25/36/55/885253655.db2.gz KJFYEPVGDYANPQ-UHFFFAOYSA-N 2 2 286.376 -0.969 20 0 CBADLP C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1[NH2+]CCCO ZINC001327940434 885536323 /nfs/dbraw/zinc/53/63/23/885536323.db2.gz NCQVXBNPEIUJAC-AAEUAGOBSA-N 2 2 280.372 -0.219 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C[C@@H]([NH3+])C1CC1 ZINC001328581691 885736323 /nfs/dbraw/zinc/73/63/23/885736323.db2.gz UDGVBGHVYSASKK-ZYHUDNBSSA-N 2 2 255.362 -0.049 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C[C@@H]([NH3+])C1CC1 ZINC001328581691 885736342 /nfs/dbraw/zinc/73/63/42/885736342.db2.gz UDGVBGHVYSASKK-ZYHUDNBSSA-N 2 2 255.362 -0.049 20 0 CBADLP C[C@@H](O)C[NH2+]CC1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001328938616 885853706 /nfs/dbraw/zinc/85/37/06/885853706.db2.gz PTAGXOJUZZNHLY-KPPDAEKUSA-N 2 2 266.345 -0.183 20 0 CBADLP C[C@@H]([NH3+])C[NH+]1CCC(n2cc(C(N)=O)nn2)CC1 ZINC001329221369 885971494 /nfs/dbraw/zinc/97/14/94/885971494.db2.gz DGHRNIXGUVKTKA-MRVPVSSYSA-N 2 2 252.322 -0.639 20 0 CBADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)C[C@@H]1CCC[NH2+]1 ZINC001329465277 886079558 /nfs/dbraw/zinc/07/95/58/886079558.db2.gz JFCUWAMZCIILAF-WDEREUQCSA-N 2 2 269.345 -0.508 20 0 CBADLP C[C@@H](O)C[N@@H+]1CCC[C@@](CO)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001447039387 913006406 /nfs/dbraw/zinc/00/64/06/913006406.db2.gz VMTAMCNAOYWWGF-TZMCWYRMSA-N 2 2 296.371 -0.793 20 0 CBADLP C[C@@H](O)C[N@H+]1CCC[C@@](CO)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001447039387 913006426 /nfs/dbraw/zinc/00/64/26/913006426.db2.gz VMTAMCNAOYWWGF-TZMCWYRMSA-N 2 2 296.371 -0.793 20 0 CBADLP O=C(C[N@@H+]1CCOC[C@@H]1C1CC1)N1CC[NH2+]CC1 ZINC001329500201 886098179 /nfs/dbraw/zinc/09/81/79/886098179.db2.gz ZLRWOTSAKGZNKO-GFCCVEGCSA-N 2 2 253.346 -0.471 20 0 CBADLP O=C(C[N@H+]1CCOC[C@@H]1C1CC1)N1CC[NH2+]CC1 ZINC001329500201 886098184 /nfs/dbraw/zinc/09/81/84/886098184.db2.gz ZLRWOTSAKGZNKO-GFCCVEGCSA-N 2 2 253.346 -0.471 20 0 CBADLP CC[NH+]1CC(CCO)(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001329707520 886183113 /nfs/dbraw/zinc/18/31/13/886183113.db2.gz JAANMGVHWBRWIU-GFCCVEGCSA-N 2 2 269.389 -0.099 20 0 CBADLP CC[NH+]1CC(CCO)(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001329707520 886183125 /nfs/dbraw/zinc/18/31/25/886183125.db2.gz JAANMGVHWBRWIU-GFCCVEGCSA-N 2 2 269.389 -0.099 20 0 CBADLP O[C@@H]1CC[N@@H+](C2CC[NH+](CCn3cncn3)CC2)C1 ZINC001329926873 886280898 /nfs/dbraw/zinc/28/08/98/886280898.db2.gz WRBJIJUXBXNHIO-CYBMUJFWSA-N 2 2 265.361 -0.191 20 0 CBADLP O[C@H]1CC[N@@H+](C2CC[NH+](CCn3cncn3)CC2)C1 ZINC001329926874 886282353 /nfs/dbraw/zinc/28/23/53/886282353.db2.gz WRBJIJUXBXNHIO-ZDUSSCGKSA-N 2 2 265.361 -0.191 20 0 CBADLP O[C@H]1CC[N@H+](C2CC[NH+](CCn3cncn3)CC2)C1 ZINC001329926874 886282374 /nfs/dbraw/zinc/28/23/74/886282374.db2.gz WRBJIJUXBXNHIO-ZDUSSCGKSA-N 2 2 265.361 -0.191 20 0 CBADLP C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C1C[NH+](CCCO)C1 ZINC001330061163 886346429 /nfs/dbraw/zinc/34/64/29/886346429.db2.gz OFLJZCSYXGXWDB-SNVBAGLBSA-N 2 2 266.345 -0.229 20 0 CBADLP CC(=O)NC[C@H]1CCC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC001330585278 886490185 /nfs/dbraw/zinc/49/01/85/886490185.db2.gz VLIQACBNCJXFOV-OLZOCXBDSA-N 2 2 255.362 -0.177 20 0 CBADLP CC(=O)NC[C@H]1CCC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC001330585278 886490193 /nfs/dbraw/zinc/49/01/93/886490193.db2.gz VLIQACBNCJXFOV-OLZOCXBDSA-N 2 2 255.362 -0.177 20 0 CBADLP COC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001447315538 913053211 /nfs/dbraw/zinc/05/32/11/913053211.db2.gz YCZYWEFLUMHESP-QWHCGFSZSA-N 2 2 296.371 -0.265 20 0 CBADLP CC[NH2+][C@@H](C)C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001331041277 886654001 /nfs/dbraw/zinc/65/40/01/886654001.db2.gz JEBSYEYXRRWFOZ-VHSXEESVSA-N 2 2 256.350 -0.950 20 0 CBADLP CC[NH2+][C@@H](C)C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001331041277 886654010 /nfs/dbraw/zinc/65/40/10/886654010.db2.gz JEBSYEYXRRWFOZ-VHSXEESVSA-N 2 2 256.350 -0.950 20 0 CBADLP Cn1cc[nH+]c1Cn1cc(CN2CC[NH2+]CC2)nn1 ZINC001331227562 886737622 /nfs/dbraw/zinc/73/76/22/886737622.db2.gz IRZLZUHAOFWMTD-UHFFFAOYSA-N 2 2 261.333 -0.535 20 0 CBADLP C[C@H](CN(C)C(=O)CCc1c[nH+]cn1C)[NH2+]CCO ZINC001331626068 886872550 /nfs/dbraw/zinc/87/25/50/886872550.db2.gz DQCXDBBYBBGOMH-LLVKDONJSA-N 2 2 268.361 -0.219 20 0 CBADLP C[NH2+][C@@H](C)CCNC(=O)/C=C\C[NH+]1CCOCC1 ZINC001331673511 886898481 /nfs/dbraw/zinc/89/84/81/886898481.db2.gz FCHXSYIYWXXONS-MVZIDQBPSA-N 2 2 255.362 -0.011 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)C1=CC[C@@H]([NH3+])C1 ZINC001331688660 886908449 /nfs/dbraw/zinc/90/84/49/886908449.db2.gz DGKGKRHDEYONEY-MNOVXSKESA-N 2 2 267.329 -0.603 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@H](C)[NH+](C)C ZINC001331689132 886911769 /nfs/dbraw/zinc/91/17/69/886911769.db2.gz IZJDZKURYXRIJM-ZJUUUORDSA-N 2 2 257.334 -0.700 20 0 CBADLP CN(CCOCC[NH3+])C(=O)NCCc1cn(C)c[nH+]1 ZINC001331732429 886945644 /nfs/dbraw/zinc/94/56/44/886945644.db2.gz XLYYCLYOJDRNGC-UHFFFAOYSA-N 2 2 269.349 -0.421 20 0 CBADLP O=C(NC[C@H](CO)[NH2+]CCCF)[C@H]1CCn2cc[nH+]c2C1 ZINC001331738013 886945823 /nfs/dbraw/zinc/94/58/23/886945823.db2.gz DRKPCQUPRIOMBX-NWDGAFQWSA-N 2 2 298.362 -0.128 20 0 CBADLP Cn1c[nH+]cc1CC[N@H+](CC(N)=O)C1CCOCC1 ZINC001331835830 887005644 /nfs/dbraw/zinc/00/56/44/887005644.db2.gz DPKHAYLSDBYNOU-UHFFFAOYSA-N 2 2 266.345 -0.071 20 0 CBADLP Cn1c[nH+]cc1CC[N@@H+](CC(N)=O)C1CCOCC1 ZINC001331835830 887005657 /nfs/dbraw/zinc/00/56/57/887005657.db2.gz DPKHAYLSDBYNOU-UHFFFAOYSA-N 2 2 266.345 -0.071 20 0 CBADLP Cn1c[nH+]c(CCNC(=O)NC[C@H]2C[C@H]([NH3+])C2)c1 ZINC001331876143 887026356 /nfs/dbraw/zinc/02/63/56/887026356.db2.gz QBQKKEJTSVLQIF-MGCOHNPYSA-N 2 2 251.334 -0.001 20 0 CBADLP C[C@H]([NH3+])CCNC(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC001331951423 887057132 /nfs/dbraw/zinc/05/71/32/887057132.db2.gz ZIUZZKCTTOHOJP-UWVGGRQHSA-N 2 2 279.344 -0.832 20 0 CBADLP C[C@H]([NH3+])CCNC(=O)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC001331957630 887059897 /nfs/dbraw/zinc/05/98/97/887059897.db2.gz MHCGSLIGHZMBIW-QWRGUYRKSA-N 2 2 293.371 -0.411 20 0 CBADLP CC[N@H+](C)C[C@@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001332665957 887395760 /nfs/dbraw/zinc/39/57/60/887395760.db2.gz ZMIBVWNZIBXNNL-LLVKDONJSA-N 2 2 254.334 -0.277 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001332665957 887395769 /nfs/dbraw/zinc/39/57/69/887395769.db2.gz ZMIBVWNZIBXNNL-LLVKDONJSA-N 2 2 254.334 -0.277 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC001332960155 887490289 /nfs/dbraw/zinc/49/02/89/887490289.db2.gz FMRRRUVDBNFSEE-LDYMZIIASA-N 2 2 252.318 -0.165 20 0 CBADLP NC(=O)C[N@@H+]1CCC[C@H](NC(=O)/C=C\[C@@H]2CCC[NH2+]C2)C1 ZINC001332975979 887492716 /nfs/dbraw/zinc/49/27/16/887492716.db2.gz MPCCTITXPCSHQQ-IBPBTGAJSA-N 2 2 294.399 -0.392 20 0 CBADLP NC(=O)C[N@H+]1CCC[C@H](NC(=O)/C=C\[C@@H]2CCC[NH2+]C2)C1 ZINC001332975979 887492721 /nfs/dbraw/zinc/49/27/21/887492721.db2.gz MPCCTITXPCSHQQ-IBPBTGAJSA-N 2 2 294.399 -0.392 20 0 CBADLP NC(=O)C[N@@H+]1CCC[C@H](NC(=O)/C=C/[C@@H]2CCC[NH2+]C2)C1 ZINC001332975977 887492890 /nfs/dbraw/zinc/49/28/90/887492890.db2.gz MPCCTITXPCSHQQ-AAAGKOELSA-N 2 2 294.399 -0.392 20 0 CBADLP NC(=O)C[N@H+]1CCC[C@H](NC(=O)/C=C/[C@@H]2CCC[NH2+]C2)C1 ZINC001332975977 887492898 /nfs/dbraw/zinc/49/28/98/887492898.db2.gz MPCCTITXPCSHQQ-AAAGKOELSA-N 2 2 294.399 -0.392 20 0 CBADLP C[C@@H](O)C[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC001333529579 887677412 /nfs/dbraw/zinc/67/74/12/887677412.db2.gz OAWMUTIYZNXTOP-SNVBAGLBSA-N 2 2 265.361 -0.059 20 0 CBADLP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1nnc2c(=O)n(C)ccn12 ZINC001334391546 887949688 /nfs/dbraw/zinc/94/96/88/887949688.db2.gz VGWSROKGIIUEDO-IUCAKERBSA-N 2 2 264.333 -0.357 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH+](C)Cc1cnnn1C ZINC001448148643 913239670 /nfs/dbraw/zinc/23/96/70/913239670.db2.gz QIZUTLFEUWHBQR-NWDGAFQWSA-N 2 2 294.403 -0.297 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH+](C)Cc1cnnn1C ZINC001448148643 913239685 /nfs/dbraw/zinc/23/96/85/913239685.db2.gz QIZUTLFEUWHBQR-NWDGAFQWSA-N 2 2 294.403 -0.297 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)C1)[N@H+](C)Cc1cnnn1C ZINC001448148643 913239704 /nfs/dbraw/zinc/23/97/04/913239704.db2.gz QIZUTLFEUWHBQR-NWDGAFQWSA-N 2 2 294.403 -0.297 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)C1)[N@@H+](C)Cc1cnnn1C ZINC001448148643 913239718 /nfs/dbraw/zinc/23/97/18/913239718.db2.gz QIZUTLFEUWHBQR-NWDGAFQWSA-N 2 2 294.403 -0.297 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)NCC[NH2+]C2CC2)CC1 ZINC001335536841 888561192 /nfs/dbraw/zinc/56/11/92/888561192.db2.gz ICASRLVHJCXLMB-UHFFFAOYSA-N 3 2 269.393 -0.539 20 0 CBADLP Cn1c[nH+]c(CCNC(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)c1 ZINC001335751705 888621763 /nfs/dbraw/zinc/62/17/63/888621763.db2.gz QJISUAJDBXBUEB-ADEWGFFLSA-N 2 2 291.355 -0.912 20 0 CBADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21 ZINC001335850275 888645717 /nfs/dbraw/zinc/64/57/17/888645717.db2.gz GWXQJYFCWVEFHD-QNWJLWSRSA-N 2 2 267.373 -0.180 20 0 CBADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21 ZINC001335850275 888645723 /nfs/dbraw/zinc/64/57/23/888645723.db2.gz GWXQJYFCWVEFHD-QNWJLWSRSA-N 2 2 267.373 -0.180 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC001336114992 888698261 /nfs/dbraw/zinc/69/82/61/888698261.db2.gz AHYUEDZFJRMHDM-LBPRGKRZSA-N 3 2 269.393 -0.539 20 0 CBADLP CNC(=O)C[NH+]1CC([C@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001448362295 913283846 /nfs/dbraw/zinc/28/38/46/913283846.db2.gz QDWACBKWGNJOGR-NSHDSACASA-N 2 2 282.388 -0.735 20 0 CBADLP C[NH+](C)Cc1csc(CNC(=O)NCC[NH3+])n1 ZINC001336905982 888917333 /nfs/dbraw/zinc/91/73/33/888917333.db2.gz BESUIWIHNOEAAC-UHFFFAOYSA-N 2 2 257.363 -0.037 20 0 CBADLP COC(=O)[C@H]1CN(c2cc[nH+]c(N)n2)CC[N@H+](C)C1 ZINC001337192984 888975436 /nfs/dbraw/zinc/97/54/36/888975436.db2.gz QGWIMLDQBCGPHV-SECBINFHSA-N 2 2 265.317 -0.400 20 0 CBADLP COC(=O)[C@H]1CN(c2cc[nH+]c(N)n2)CC[N@@H+](C)C1 ZINC001337192984 888975444 /nfs/dbraw/zinc/97/54/44/888975444.db2.gz QGWIMLDQBCGPHV-SECBINFHSA-N 2 2 265.317 -0.400 20 0 CBADLP C[C@H]([NH2+]CCO)[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CCO1 ZINC001448459933 913299573 /nfs/dbraw/zinc/29/95/73/913299573.db2.gz GDGLAIGPBHHDAB-WCQYABFASA-N 2 2 296.371 -0.460 20 0 CBADLP C[C@H]([NH2+]CCO)[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CCO1 ZINC001448459933 913299587 /nfs/dbraw/zinc/29/95/87/913299587.db2.gz GDGLAIGPBHHDAB-WCQYABFASA-N 2 2 296.371 -0.460 20 0 CBADLP O[C@H](C[NH2+]CCn1cc[nH+]c1)C1(O)CCOCC1 ZINC001337856230 889088692 /nfs/dbraw/zinc/08/86/92/889088692.db2.gz TXTCIVXMKBUSAX-LLVKDONJSA-N 2 2 255.318 -0.625 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCCCON)C2)CC1 ZINC001338535427 889172307 /nfs/dbraw/zinc/17/23/07/889172307.db2.gz LGUKPMOUHJAEAX-LBPRGKRZSA-N 2 2 299.419 -0.266 20 0 CBADLP O=C(C[NH+]1CCC(CO)CC1)NCCC[NH+]1CCOCC1 ZINC001338735718 889196813 /nfs/dbraw/zinc/19/68/13/889196813.db2.gz BVDHMOAVLRASRU-UHFFFAOYSA-N 2 2 299.415 -0.471 20 0 CBADLP [NH3+]C1CCN(Cc2cn(Cc3[nH]cc[nH+]3)nn2)CC1 ZINC001339332566 889263221 /nfs/dbraw/zinc/26/32/21/889263221.db2.gz GUYKCAJVZJQSPK-UHFFFAOYSA-N 2 2 261.333 -0.027 20 0 CBADLP C[NH2+]C[C@@H](O)[C@H](C)C(=O)NCCCn1cc[nH+]c1 ZINC001340138800 889396161 /nfs/dbraw/zinc/39/61/61/889396161.db2.gz GZNJVNQAYJQZKC-WDEREUQCSA-N 2 2 254.334 -0.394 20 0 CBADLP O=C(NCCCn1cc[nH+]c1)[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001340140112 889396197 /nfs/dbraw/zinc/39/61/97/889396197.db2.gz OBCYYNBCIRRUAU-NSHDSACASA-N 2 2 291.355 -0.790 20 0 CBADLP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)NCCCn1cc[nH+]c1 ZINC001340138797 889396595 /nfs/dbraw/zinc/39/65/95/889396595.db2.gz GZNJVNQAYJQZKC-GHMZBOCLSA-N 2 2 254.334 -0.394 20 0 CBADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1COCC[NH2+]1 ZINC001340710754 889471009 /nfs/dbraw/zinc/47/10/09/889471009.db2.gz UAQUUPCEZNMFJM-HBNTYKKESA-N 2 2 264.329 -0.372 20 0 CBADLP C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001340746366 889479987 /nfs/dbraw/zinc/47/99/87/889479987.db2.gz GYGPUUHPZOZBDC-ZYHUDNBSSA-N 2 2 266.345 -0.516 20 0 CBADLP C[C@H](CN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1)[NH2+]CC(N)=O ZINC001448699978 913353500 /nfs/dbraw/zinc/35/35/00/913353500.db2.gz OOUVNRYBPSSXKH-GHMZBOCLSA-N 2 2 293.371 -0.633 20 0 CBADLP Cc1ccnc(C(=O)NCC[NH+]2CCC([NH3+])CC2)n1 ZINC001341056672 889537571 /nfs/dbraw/zinc/53/75/71/889537571.db2.gz MYBHJPLFESJAIZ-UHFFFAOYSA-N 2 2 263.345 -0.062 20 0 CBADLP O=C([C@H]1[NH2+]CCc2occc21)N1CCNCC[NH2+]CC1 ZINC001341224526 889563199 /nfs/dbraw/zinc/56/31/99/889563199.db2.gz VHDUVHQPYHBGDX-ZDUSSCGKSA-N 2 2 278.356 -0.512 20 0 CBADLP Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)CC[NH3+])C2 ZINC001341304896 889574905 /nfs/dbraw/zinc/57/49/05/889574905.db2.gz QILGQBQBIRPPIQ-SNVBAGLBSA-N 2 2 266.345 -0.494 20 0 CBADLP C[NH2+]C1CC(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC001341366046 889582414 /nfs/dbraw/zinc/58/24/14/889582414.db2.gz FBNXNKAWGNNWHT-BPCQOVAHSA-N 2 2 267.373 -0.083 20 0 CBADLP COC[C@H]1C[NH2+]CCN1C(=O)[C@H](C)n1cc[nH+]c1 ZINC001341517003 889612194 /nfs/dbraw/zinc/61/21/94/889612194.db2.gz PVVZTPLFBBNPLE-WDEREUQCSA-N 2 2 252.318 -0.109 20 0 CBADLP CCC[NH2+][C@@H](C)C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001341691008 889648847 /nfs/dbraw/zinc/64/88/47/889648847.db2.gz UDYWYPHICPXUNS-NSHDSACASA-N 3 2 256.394 -0.086 20 0 CBADLP O=C(NCCc1[nH]cc[nH+]1)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001341701391 889652532 /nfs/dbraw/zinc/65/25/32/889652532.db2.gz QKOMXNUTZLJQNO-MFKMUULPSA-N 2 2 264.329 -0.306 20 0 CBADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)[C@H]([NH3+])CO)C1 ZINC001341732024 889655477 /nfs/dbraw/zinc/65/54/77/889655477.db2.gz JJFDNRJNJDYZCX-WDEREUQCSA-N 2 2 266.345 -0.479 20 0 CBADLP Cn1c[nH+]cc1C1CCN(C(=O)C[C@@H](O)C[NH3+])CC1 ZINC001342148779 889719897 /nfs/dbraw/zinc/71/98/97/889719897.db2.gz CSOUAQIADHSVQR-LLVKDONJSA-N 2 2 266.345 -0.164 20 0 CBADLP C[C@@H](C(=O)N[C@H]1COC2(C[NH2+]C2)C1)n1cc[nH+]c1 ZINC001342216474 889731915 /nfs/dbraw/zinc/73/19/15/889731915.db2.gz XDPFQVVZMYIWPZ-VHSXEESVSA-N 2 2 250.302 -0.309 20 0 CBADLP [NH3+]C[C@H]1C[C@H](NC(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC001342212656 889733154 /nfs/dbraw/zinc/73/31/54/889733154.db2.gz KSLVRRJSLUZJOR-QDZDSHPKSA-N 2 2 253.346 -0.272 20 0 CBADLP O=C(/C=C\C[NH+]1CCOCC1)N[C@H]1COC2(C[NH2+]C2)C1 ZINC001342215294 889733992 /nfs/dbraw/zinc/73/39/92/889733992.db2.gz JOKMSOSUZNYRGR-UDSFMNFJSA-N 2 2 281.356 -0.878 20 0 CBADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC001342283723 889747848 /nfs/dbraw/zinc/74/78/48/889747848.db2.gz FPCCDZXPIKTUHP-JTQLQIEISA-N 2 2 264.329 -0.211 20 0 CBADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC001342283723 889747860 /nfs/dbraw/zinc/74/78/60/889747860.db2.gz FPCCDZXPIKTUHP-JTQLQIEISA-N 2 2 264.329 -0.211 20 0 CBADLP C[NH+](C)CC1(C(=O)NCC[NH+]2CCC([NH3+])CC2)CC1 ZINC001342461673 889781512 /nfs/dbraw/zinc/78/15/12/889781512.db2.gz MAOJLGPXBJJPRS-UHFFFAOYSA-N 3 2 268.405 -0.133 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)CC1 ZINC001344709238 890054973 /nfs/dbraw/zinc/05/49/73/890054973.db2.gz XLGUTSLWAUBBST-GXTWGEPZSA-N 3 2 266.389 -0.475 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@H](C)C[NH2+]C ZINC001345991806 890189318 /nfs/dbraw/zinc/18/93/18/890189318.db2.gz FGNBVKVPOOHALP-UWVGGRQHSA-N 2 2 257.334 -0.795 20 0 CBADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@H](C)[NH2+]C1CC1 ZINC001345991336 890189815 /nfs/dbraw/zinc/18/98/15/890189815.db2.gz CPAPNHRTUPAPND-GXSJLCMTSA-N 2 2 269.345 -0.510 20 0 CBADLP C[C@@H](NC(=O)[C@H]1C[C@@H]([NH3+])C1)[C@H]1CN(C)CC[N@@H+]1C ZINC001346228792 890243540 /nfs/dbraw/zinc/24/35/40/890243540.db2.gz MEZGFYYOSILBMF-WISYIIOYSA-N 2 2 254.378 -0.526 20 0 CBADLP C[C@@H](NC(=O)[C@H]1C[C@@H]([NH3+])C1)[C@H]1CN(C)CC[N@H+]1C ZINC001346228792 890243555 /nfs/dbraw/zinc/24/35/55/890243555.db2.gz MEZGFYYOSILBMF-WISYIIOYSA-N 2 2 254.378 -0.526 20 0 CBADLP CCOCC[C@H](O)C[NH2+][C@H](C)[C@H]1C[N@H+](C)CCN1C ZINC001346251245 890249720 /nfs/dbraw/zinc/24/97/20/890249720.db2.gz KQWITVGHKRMMGA-HZSPNIEDSA-N 2 2 273.421 -0.002 20 0 CBADLP COC(=O)[C@H]([NH3+])Cc1cn([C@H]2CCC[NH2+]C2)nn1 ZINC001346588860 890325304 /nfs/dbraw/zinc/32/53/04/890325304.db2.gz QFFCENUVJLGQGU-VHSXEESVSA-N 2 2 253.306 -0.755 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)NCC1([NH3+])CC1 ZINC001346633378 890334786 /nfs/dbraw/zinc/33/47/86/890334786.db2.gz OVVLDYGHLVDPBW-JTQLQIEISA-N 2 2 256.350 -0.502 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)NCC1([NH3+])CC1 ZINC001346633378 890334808 /nfs/dbraw/zinc/33/48/08/890334808.db2.gz OVVLDYGHLVDPBW-JTQLQIEISA-N 2 2 256.350 -0.502 20 0 CBADLP C[NH+](C)C[C@]1(O)CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001347175754 890423364 /nfs/dbraw/zinc/42/33/64/890423364.db2.gz VLBJRXIFENEXKQ-CYBMUJFWSA-N 2 2 266.345 -0.133 20 0 CBADLP C[NH+](C)C[C@]1(O)CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001347175754 890423368 /nfs/dbraw/zinc/42/33/68/890423368.db2.gz VLBJRXIFENEXKQ-CYBMUJFWSA-N 2 2 266.345 -0.133 20 0 CBADLP COCCOCC[NH+]1CCN(c2nccnc2C[NH3+])CC1 ZINC001348235526 890578454 /nfs/dbraw/zinc/57/84/54/890578454.db2.gz CBAAXHPALDZOKV-UHFFFAOYSA-N 2 2 295.387 -0.280 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC001348907655 890724641 /nfs/dbraw/zinc/72/46/41/890724641.db2.gz ABFHLCMQNAUBRX-NSHDSACASA-N 2 2 266.345 -0.465 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC001348907655 890724657 /nfs/dbraw/zinc/72/46/57/890724657.db2.gz ABFHLCMQNAUBRX-NSHDSACASA-N 2 2 266.345 -0.465 20 0 CBADLP CNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)Cn2cc[nH+]c2)C1 ZINC001449025392 913482344 /nfs/dbraw/zinc/48/23/44/913482344.db2.gz UIAUVJMFQKPNDE-MNOVXSKESA-N 2 2 279.344 -0.792 20 0 CBADLP CC[C@@H](C(=O)NCCNC(=O)Cc1c[nH+]cn1C)[NH+](C)C ZINC001349378543 890801789 /nfs/dbraw/zinc/80/17/89/890801789.db2.gz GTPJYNMOZZFZRX-LBPRGKRZSA-N 2 2 295.387 -0.465 20 0 CBADLP CCC[N@H+](C)CC(=O)NCCNC(=O)Cc1[nH]c[nH+]c1C ZINC001349431401 890813526 /nfs/dbraw/zinc/81/35/26/890813526.db2.gz WASWJFXDVJZKMF-UHFFFAOYSA-N 2 2 295.387 -0.165 20 0 CBADLP CCC[N@@H+](C)CC(=O)NCCNC(=O)Cc1[nH]c[nH+]c1C ZINC001349431401 890813529 /nfs/dbraw/zinc/81/35/29/890813529.db2.gz WASWJFXDVJZKMF-UHFFFAOYSA-N 2 2 295.387 -0.165 20 0 CBADLP CC(C)[NH+]1CC(NC(=O)[C@@H]2C[N@@H+]3CCN2C[C@@H]3C)C1 ZINC001349456772 890817419 /nfs/dbraw/zinc/81/74/19/890817419.db2.gz VZEOCYFUPHVFRG-AAEUAGOBSA-N 2 2 266.389 -0.417 20 0 CBADLP CC(C)[NH+]1CC(NC(=O)[C@@H]2C[N@H+]3CCN2C[C@@H]3C)C1 ZINC001349456772 890817429 /nfs/dbraw/zinc/81/74/29/890817429.db2.gz VZEOCYFUPHVFRG-AAEUAGOBSA-N 2 2 266.389 -0.417 20 0 CBADLP C[C@H](C(=O)N1CCN(C)C[C@@H]1C[NH3+])n1cc[nH+]c1 ZINC001349458214 890817453 /nfs/dbraw/zinc/81/74/53/890817453.db2.gz TVLJFFXPVYBWJF-MNOVXSKESA-N 2 2 251.334 -0.455 20 0 CBADLP CC(C)[C@@H]([NH3+])C(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001349471729 890820544 /nfs/dbraw/zinc/82/05/44/890820544.db2.gz DIYWCOUGILXWPC-GXSJLCMTSA-N 2 2 256.350 -0.964 20 0 CBADLP CC(C)[C@@H]([NH3+])C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001349471729 890820546 /nfs/dbraw/zinc/82/05/46/890820546.db2.gz DIYWCOUGILXWPC-GXSJLCMTSA-N 2 2 256.350 -0.964 20 0 CBADLP NC(=O)C[N@@H+]1CCC[C@H](NC(=O)C2CC[NH2+]CC2)C1 ZINC001349473012 890820800 /nfs/dbraw/zinc/82/08/00/890820800.db2.gz KXTHHEJQHWGWIU-NSHDSACASA-N 2 2 268.361 -0.948 20 0 CBADLP NC(=O)C[N@H+]1CCC[C@H](NC(=O)C2CC[NH2+]CC2)C1 ZINC001349473012 890820808 /nfs/dbraw/zinc/82/08/08/890820808.db2.gz KXTHHEJQHWGWIU-NSHDSACASA-N 2 2 268.361 -0.948 20 0 CBADLP [NH3+][C@H]1CCCCCN(C(=O)C(=O)NCCn2cc[nH+]c2)C1 ZINC001349992890 890922026 /nfs/dbraw/zinc/92/20/26/890922026.db2.gz SOBDADNQAXSQRM-LBPRGKRZSA-N 2 2 293.371 -0.271 20 0 CBADLP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1cccc(=O)[nH]1 ZINC001350910083 891063638 /nfs/dbraw/zinc/06/36/38/891063638.db2.gz NDRQJQMHXZYTME-UHFFFAOYSA-N 2 2 264.329 -0.349 20 0 CBADLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1cccc(=O)[nH]1 ZINC001350910083 891063652 /nfs/dbraw/zinc/06/36/52/891063652.db2.gz NDRQJQMHXZYTME-UHFFFAOYSA-N 2 2 264.329 -0.349 20 0 CBADLP O=C1C[C@H](CC[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)CN1 ZINC001350953920 891076734 /nfs/dbraw/zinc/07/67/34/891076734.db2.gz AEXWQXZEBSLYAV-JKOKRWQUSA-N 2 2 267.373 -0.131 20 0 CBADLP O[C@H](C[NH+]1CCN(c2[nH]cc[nH+]2)CC1)C1(O)CCC1 ZINC001351411382 891137680 /nfs/dbraw/zinc/13/76/80/891137680.db2.gz LHZLZTOTMSQQFY-LLVKDONJSA-N 2 2 266.345 -0.192 20 0 CBADLP CO[C@H](C)C[NH2+]C[C@H](O)CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001449168531 913527199 /nfs/dbraw/zinc/52/71/99/913527199.db2.gz FPYBHZIBBGAEAS-PWSUYJOCSA-N 2 2 298.387 -0.296 20 0 CBADLP C[C@H]([NH3+])CN(C)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC001351538880 891151877 /nfs/dbraw/zinc/15/18/77/891151877.db2.gz KUXZOSNGDPCQKE-QWRGUYRKSA-N 2 2 258.366 -0.304 20 0 CBADLP C[C@H]([NH3+])CN(C)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC001351538880 891151883 /nfs/dbraw/zinc/15/18/83/891151883.db2.gz KUXZOSNGDPCQKE-QWRGUYRKSA-N 2 2 258.366 -0.304 20 0 CBADLP CN(C[C@@H](O)C[N@H+](C)CCF)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001449186880 913534276 /nfs/dbraw/zinc/53/42/76/913534276.db2.gz KJPSVOGVSZXAHQ-RYUDHWBXSA-N 2 2 291.367 -0.962 20 0 CBADLP CN(C[C@@H](O)C[N@@H+](C)CCF)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001449186880 913534286 /nfs/dbraw/zinc/53/42/86/913534286.db2.gz KJPSVOGVSZXAHQ-RYUDHWBXSA-N 2 2 291.367 -0.962 20 0 CBADLP CN(C[C@@H](O)C[NH+](C)CCF)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001449186880 913534304 /nfs/dbraw/zinc/53/43/04/913534304.db2.gz KJPSVOGVSZXAHQ-RYUDHWBXSA-N 2 2 291.367 -0.962 20 0 CBADLP CN(C[C@@H](O)C[NH+](C)CCF)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001449186880 913534321 /nfs/dbraw/zinc/53/43/21/913534321.db2.gz KJPSVOGVSZXAHQ-RYUDHWBXSA-N 2 2 291.367 -0.962 20 0 CBADLP Cn1c[nH+]cc1CNC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC001352796854 891296018 /nfs/dbraw/zinc/29/60/18/891296018.db2.gz AQEPELWDTDUMFX-LLVKDONJSA-N 2 2 267.333 -0.714 20 0 CBADLP Cn1c[nH+]cc1CNC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC001352796854 891296032 /nfs/dbraw/zinc/29/60/32/891296032.db2.gz AQEPELWDTDUMFX-LLVKDONJSA-N 2 2 267.333 -0.714 20 0 CBADLP C[C@H](O)C[N@H+](C)C[C@H](O)CN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001449203230 913543135 /nfs/dbraw/zinc/54/31/35/913543135.db2.gz XXKRYZAOYRPDLP-AAEUAGOBSA-N 2 2 298.387 -0.526 20 0 CBADLP C[C@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001449203230 913543151 /nfs/dbraw/zinc/54/31/51/913543151.db2.gz XXKRYZAOYRPDLP-AAEUAGOBSA-N 2 2 298.387 -0.526 20 0 CBADLP C[C@H](O)C[N@H+](C)C[C@H](O)CN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001449203230 913543171 /nfs/dbraw/zinc/54/31/71/913543171.db2.gz XXKRYZAOYRPDLP-AAEUAGOBSA-N 2 2 298.387 -0.526 20 0 CBADLP C[C@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001449203230 913543196 /nfs/dbraw/zinc/54/31/96/913543196.db2.gz XXKRYZAOYRPDLP-AAEUAGOBSA-N 2 2 298.387 -0.526 20 0 CBADLP CCN(C(=O)C(=O)N1CCn2c[nH+]cc2C1)[C@H]1CC[NH2+]C1 ZINC001353361610 891413307 /nfs/dbraw/zinc/41/33/07/891413307.db2.gz QNCPJFXCTDBJTB-NSHDSACASA-N 2 2 291.355 -0.564 20 0 CBADLP C[NH2+]C1CC(C(=O)NCC[N@@H+]2CCOC[C@H]2C)C1 ZINC001353534328 891442604 /nfs/dbraw/zinc/44/26/04/891442604.db2.gz FPPWPWQLWXKLAJ-VOMCLLRMSA-N 2 2 255.362 -0.179 20 0 CBADLP C[NH2+]C1CC(C(=O)NCC[N@H+]2CCOC[C@H]2C)C1 ZINC001353534328 891442616 /nfs/dbraw/zinc/44/26/16/891442616.db2.gz FPPWPWQLWXKLAJ-VOMCLLRMSA-N 2 2 255.362 -0.179 20 0 CBADLP [NH3+][C@@H](CC(=O)NC[C@@H]1C[NH2+]CCCO1)C(F)F ZINC001353665672 891459261 /nfs/dbraw/zinc/45/92/61/891459261.db2.gz ISJLBHBGJUMOJH-YUMQZZPRSA-N 2 2 251.277 -0.536 20 0 CBADLP CC(C)N(CC[N@H+](C)CC(N)=O)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001449264774 913560880 /nfs/dbraw/zinc/56/08/80/913560880.db2.gz DAQVFPUPIDJMAY-ZDUSSCGKSA-N 2 2 298.431 -0.018 20 0 CBADLP CC(C)N(CC[N@@H+](C)CC(N)=O)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001449264774 913560891 /nfs/dbraw/zinc/56/08/91/913560891.db2.gz DAQVFPUPIDJMAY-ZDUSSCGKSA-N 2 2 298.431 -0.018 20 0 CBADLP CC(C)N(CC[NH+](C)CC(N)=O)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001449264774 913560903 /nfs/dbraw/zinc/56/09/03/913560903.db2.gz DAQVFPUPIDJMAY-ZDUSSCGKSA-N 2 2 298.431 -0.018 20 0 CBADLP O=C(C[N@@H+]1CCOC[C@H]1CC1CC1)N1CC[NH2+]CC1 ZINC001354185850 891530739 /nfs/dbraw/zinc/53/07/39/891530739.db2.gz WVFJWVOMVZOEEX-CYBMUJFWSA-N 2 2 267.373 -0.081 20 0 CBADLP O=C(C[N@H+]1CCOC[C@H]1CC1CC1)N1CC[NH2+]CC1 ZINC001354185850 891530747 /nfs/dbraw/zinc/53/07/47/891530747.db2.gz WVFJWVOMVZOEEX-CYBMUJFWSA-N 2 2 267.373 -0.081 20 0 CBADLP [NH3+][C@H](CC(=O)N1CCC[C@]([NH3+])(CO)C1)C(F)F ZINC001355043200 891639574 /nfs/dbraw/zinc/63/95/74/891639574.db2.gz ORZHUZADQHAFFC-GMSGAONNSA-N 2 2 251.277 -0.719 20 0 CBADLP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@H]2CC[NH+]2C)CC[N@@H+]1C ZINC001356311063 891746856 /nfs/dbraw/zinc/74/68/56/891746856.db2.gz KGXOWPIVHYHPOV-CHWSQXEVSA-N 2 2 296.415 -0.395 20 0 CBADLP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@H]2CC[NH+]2C)CC[N@H+]1C ZINC001356311063 891746859 /nfs/dbraw/zinc/74/68/59/891746859.db2.gz KGXOWPIVHYHPOV-CHWSQXEVSA-N 2 2 296.415 -0.395 20 0 CBADLP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@@H+]2C)CC[NH+]1C ZINC001356311063 891746869 /nfs/dbraw/zinc/74/68/69/891746869.db2.gz KGXOWPIVHYHPOV-CHWSQXEVSA-N 2 2 296.415 -0.395 20 0 CBADLP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@H+]2C)CC[NH+]1C ZINC001356311063 891746875 /nfs/dbraw/zinc/74/68/75/891746875.db2.gz KGXOWPIVHYHPOV-CHWSQXEVSA-N 2 2 296.415 -0.395 20 0 CBADLP COCC[NH2+]CC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC001356607172 891784303 /nfs/dbraw/zinc/78/43/03/891784303.db2.gz OBKSITHRWHWHNQ-GFCCVEGCSA-N 2 2 273.377 -0.599 20 0 CBADLP CNC(=O)NCC[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC001357241291 891863427 /nfs/dbraw/zinc/86/34/27/891863427.db2.gz HPFGUGVSZKKXLD-CQSZACIVSA-N 2 2 294.399 -0.002 20 0 CBADLP CNC(=O)NCC[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC001357241291 891863439 /nfs/dbraw/zinc/86/34/39/891863439.db2.gz HPFGUGVSZKKXLD-CQSZACIVSA-N 2 2 294.399 -0.002 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)[C@@H]2C[C@H]([NH3+])[C@H]3C[C@H]32)CCO1 ZINC001357384230 891882117 /nfs/dbraw/zinc/88/21/17/891882117.db2.gz HUHAOMSVKBYDJI-OFTGVCEQSA-N 2 2 267.373 -0.193 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)[C@@H]2C[C@H]([NH3+])[C@H]3C[C@H]32)CCO1 ZINC001357384230 891882136 /nfs/dbraw/zinc/88/21/36/891882136.db2.gz HUHAOMSVKBYDJI-OFTGVCEQSA-N 2 2 267.373 -0.193 20 0 CBADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC001357452207 891894945 /nfs/dbraw/zinc/89/49/45/891894945.db2.gz BHWQUMGHMOMLKQ-ONGXEEELSA-N 2 2 252.318 -0.226 20 0 CBADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC001357452207 891894959 /nfs/dbraw/zinc/89/49/59/891894959.db2.gz BHWQUMGHMOMLKQ-ONGXEEELSA-N 2 2 252.318 -0.226 20 0 CBADLP [NH3+]CCCOCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001357937121 891947053 /nfs/dbraw/zinc/94/70/53/891947053.db2.gz ABMWIDANPJWSNV-NSHDSACASA-N 2 2 266.345 -0.073 20 0 CBADLP CC[N@@H+]1CC[C@H]1C(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC001361755467 892220271 /nfs/dbraw/zinc/22/02/71/892220271.db2.gz NCHWYPSJDMXLRB-LBPRGKRZSA-N 2 2 282.388 -0.687 20 0 CBADLP CC[N@H+]1CC[C@H]1C(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC001361755467 892220287 /nfs/dbraw/zinc/22/02/87/892220287.db2.gz NCHWYPSJDMXLRB-LBPRGKRZSA-N 2 2 282.388 -0.687 20 0 CBADLP C[C@H](NC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O)[C@@H]1C[NH+](C)CCO1 ZINC001362104666 892435290 /nfs/dbraw/zinc/43/52/90/892435290.db2.gz MMUTVKWTUXJXLU-DGAVXFQQSA-N 2 2 299.415 -0.333 20 0 CBADLP C[C@H](NC(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O)[C@@H]1C[NH+](C)CCO1 ZINC001362104666 892435299 /nfs/dbraw/zinc/43/52/99/892435299.db2.gz MMUTVKWTUXJXLU-DGAVXFQQSA-N 2 2 299.415 -0.333 20 0 CBADLP C[C@H](NC(=O)C[NH+](C)[C@@H]1CCC[C@H]1O)[C@@H]1C[N@H+](C)CCO1 ZINC001362104666 892435305 /nfs/dbraw/zinc/43/53/05/892435305.db2.gz MMUTVKWTUXJXLU-DGAVXFQQSA-N 2 2 299.415 -0.333 20 0 CBADLP C[C@H](NC(=O)C[NH+](C)[C@@H]1CCC[C@H]1O)[C@@H]1C[N@@H+](C)CCO1 ZINC001362104666 892435313 /nfs/dbraw/zinc/43/53/13/892435313.db2.gz MMUTVKWTUXJXLU-DGAVXFQQSA-N 2 2 299.415 -0.333 20 0 CBADLP C[N@@H+]1CC[C@@H](C(=O)NC2CC[NH+]([C@H]3CCOC3=O)CC2)C1 ZINC001362319559 892593414 /nfs/dbraw/zinc/59/34/14/892593414.db2.gz MFAPFHKNEKUJDN-YPMHNXCESA-N 2 2 295.383 -0.166 20 0 CBADLP C[N@H+]1CC[C@@H](C(=O)NC2CC[NH+]([C@H]3CCOC3=O)CC2)C1 ZINC001362319559 892593427 /nfs/dbraw/zinc/59/34/27/892593427.db2.gz MFAPFHKNEKUJDN-YPMHNXCESA-N 2 2 295.383 -0.166 20 0 CBADLP COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001363721352 893938264 /nfs/dbraw/zinc/93/82/64/893938264.db2.gz GIIRPPHFLYBWAZ-LLVKDONJSA-N 2 2 294.355 -0.048 20 0 CBADLP COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001363721352 893938275 /nfs/dbraw/zinc/93/82/75/893938275.db2.gz GIIRPPHFLYBWAZ-LLVKDONJSA-N 2 2 294.355 -0.048 20 0 CBADLP COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001363730302 893947904 /nfs/dbraw/zinc/94/79/04/893947904.db2.gz QMRSOYFUHBZAMO-ZYHUDNBSSA-N 2 2 294.355 -0.048 20 0 CBADLP COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001363730302 893947916 /nfs/dbraw/zinc/94/79/16/893947916.db2.gz QMRSOYFUHBZAMO-ZYHUDNBSSA-N 2 2 294.355 -0.048 20 0 CBADLP COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001363730302 893947930 /nfs/dbraw/zinc/94/79/30/893947930.db2.gz QMRSOYFUHBZAMO-ZYHUDNBSSA-N 2 2 294.355 -0.048 20 0 CBADLP COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001363730302 893947946 /nfs/dbraw/zinc/94/79/46/893947946.db2.gz QMRSOYFUHBZAMO-ZYHUDNBSSA-N 2 2 294.355 -0.048 20 0 CBADLP CC[NH+]1CCC(C[NH+](CC(=O)NC)CC(=O)NC)CC1 ZINC001363935424 894101871 /nfs/dbraw/zinc/10/18/71/894101871.db2.gz HTEZIJCHNHTJGZ-UHFFFAOYSA-N 2 2 284.404 -0.488 20 0 CBADLP C[C@@H]1C[C@@H](NS(=O)(=O)N2CC[NH+](C)CC2)CC[N@@H+]1C ZINC001363934388 894103516 /nfs/dbraw/zinc/10/35/16/894103516.db2.gz BKYBADDATCMSJU-NEPJUHHUSA-N 2 2 290.433 -0.449 20 0 CBADLP C[C@@H]1C[C@@H](NS(=O)(=O)N2CC[NH+](C)CC2)CC[N@H+]1C ZINC001363934388 894103518 /nfs/dbraw/zinc/10/35/18/894103518.db2.gz BKYBADDATCMSJU-NEPJUHHUSA-N 2 2 290.433 -0.449 20 0 CBADLP C[C@H](C(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1)[NH+](C)C ZINC001364017271 894148836 /nfs/dbraw/zinc/14/88/36/894148836.db2.gz ABHZZAIULUJYHT-GFCCVEGCSA-N 2 2 284.404 -0.441 20 0 CBADLP C[C@H](C(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1)[NH+](C)C ZINC001364017271 894148843 /nfs/dbraw/zinc/14/88/43/894148843.db2.gz ABHZZAIULUJYHT-GFCCVEGCSA-N 2 2 284.404 -0.441 20 0 CBADLP C[C@@H](CN1CC[N@H+](CCO)C[C@H]1C)C[NH+]1CCOCC1 ZINC001364415032 894401025 /nfs/dbraw/zinc/40/10/25/894401025.db2.gz MAIXOTMCFORSDY-HUUCEWRRSA-N 2 2 285.432 -0.047 20 0 CBADLP C[C@@H](CN1CC[N@@H+](CCO)C[C@H]1C)C[NH+]1CCOCC1 ZINC001364415032 894401028 /nfs/dbraw/zinc/40/10/28/894401028.db2.gz MAIXOTMCFORSDY-HUUCEWRRSA-N 2 2 285.432 -0.047 20 0 CBADLP CN(C)C(=O)C[N@@H+]1CCCN(c2nccnc2C[NH3+])CC1 ZINC001364589632 894510114 /nfs/dbraw/zinc/51/01/14/894510114.db2.gz FOEZUHSLLFOEGO-UHFFFAOYSA-N 2 2 292.387 -0.464 20 0 CBADLP CN(C)C(=O)C[N@H+]1CCCN(c2nccnc2C[NH3+])CC1 ZINC001364589632 894510130 /nfs/dbraw/zinc/51/01/30/894510130.db2.gz FOEZUHSLLFOEGO-UHFFFAOYSA-N 2 2 292.387 -0.464 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+]Cc2cnc3cnccn23)CC1 ZINC001364590383 894510546 /nfs/dbraw/zinc/51/05/46/894510546.db2.gz ZFBDYWRXMACYOJ-UHFFFAOYSA-N 2 2 288.355 -0.407 20 0 CBADLP Cn1c[nH+]c(CCNC(=O)NC[C@@](C)(O)C[NH+](C)C)c1 ZINC001364639889 894538734 /nfs/dbraw/zinc/53/87/34/894538734.db2.gz MWCAQXDXIWJUMJ-CYBMUJFWSA-N 2 2 283.376 -0.426 20 0 CBADLP NC(=O)Cn1cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)nn1 ZINC001364647224 894539065 /nfs/dbraw/zinc/53/90/65/894539065.db2.gz WIOHOSGIYBDNMR-UHFFFAOYSA-N 2 2 289.343 -0.134 20 0 CBADLP C[C@H](CN1CC[N@H+](CCO)[C@@H](C)C1)C[NH+]1CCOCC1 ZINC001364691498 894567021 /nfs/dbraw/zinc/56/70/21/894567021.db2.gz UGDNTHZGVBQFGX-GJZGRUSLSA-N 2 2 285.432 -0.047 20 0 CBADLP C[C@H](CN1CC[N@@H+](CCO)[C@@H](C)C1)C[NH+]1CCOCC1 ZINC001364691498 894567029 /nfs/dbraw/zinc/56/70/29/894567029.db2.gz UGDNTHZGVBQFGX-GJZGRUSLSA-N 2 2 285.432 -0.047 20 0 CBADLP COC(=O)Cn1cc(C[NH2+]C[C@H]2C[NH+]3CCC2CC3)nn1 ZINC001364760473 894604502 /nfs/dbraw/zinc/60/45/02/894604502.db2.gz UXSDWURPWCYBQI-LBPRGKRZSA-N 2 2 293.371 -0.118 20 0 CBADLP O=C(C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)N1CCCO1 ZINC001364772456 894609777 /nfs/dbraw/zinc/60/97/77/894609777.db2.gz QEDJSFVKWLEYGY-CYBMUJFWSA-N 2 2 283.372 -0.007 20 0 CBADLP CC(C)N(CC[NH+](C)C)S(=O)(=O)N1CC[NH+](C)CC1 ZINC001365683379 895083579 /nfs/dbraw/zinc/08/35/79/895083579.db2.gz VIRNBPFCYJRZTC-UHFFFAOYSA-N 2 2 292.449 -0.249 20 0 CBADLP CC(C)[N@H+](C)CCNS(=O)(=O)N1CC[NH+](C)CC1 ZINC001365700452 895088737 /nfs/dbraw/zinc/08/87/37/895088737.db2.gz LDEQAQSVEKLYSY-UHFFFAOYSA-N 2 2 278.422 -0.592 20 0 CBADLP CC(C)[N@@H+](C)CCNS(=O)(=O)N1CC[NH+](C)CC1 ZINC001365700452 895088756 /nfs/dbraw/zinc/08/87/56/895088756.db2.gz LDEQAQSVEKLYSY-UHFFFAOYSA-N 2 2 278.422 -0.592 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+]1CC[C@@H]1CN(C)C(=O)C[NH+]1CCCC1 ZINC001365801511 895122381 /nfs/dbraw/zinc/12/23/81/895122381.db2.gz HTVMFLGOFOOOOS-CHWSQXEVSA-N 2 2 296.415 -0.121 20 0 CBADLP CC[C@H](C(N)=O)[N@H+]1CC[C@@H]1CN(C)C(=O)C[NH+]1CCCC1 ZINC001365801511 895122388 /nfs/dbraw/zinc/12/23/88/895122388.db2.gz HTVMFLGOFOOOOS-CHWSQXEVSA-N 2 2 296.415 -0.121 20 0 CBADLP COC[C@H](O)C[N@@H+]1CC[C@H]1CN(C)C(=O)Cn1cc[nH+]c1 ZINC001365804963 895126495 /nfs/dbraw/zinc/12/64/95/895126495.db2.gz NNCHBWGLYSSRMW-QWHCGFSZSA-N 2 2 296.371 -0.577 20 0 CBADLP COC[C@H](O)C[N@H+]1CC[C@H]1CN(C)C(=O)Cn1cc[nH+]c1 ZINC001365804963 895126504 /nfs/dbraw/zinc/12/65/04/895126504.db2.gz NNCHBWGLYSSRMW-QWHCGFSZSA-N 2 2 296.371 -0.577 20 0 CBADLP Cn1nnc(C[NH2+][C@H]2C[C@H](CNC(=O)CC[NH+](C)C)C2)n1 ZINC001365837608 895131470 /nfs/dbraw/zinc/13/14/70/895131470.db2.gz DILGGHSHPSZYKR-XYPYZODXSA-N 2 2 295.391 -0.854 20 0 CBADLP CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001365973708 895158552 /nfs/dbraw/zinc/15/85/52/895158552.db2.gz QBCNVYTWCIGLIP-VXGBXAGGSA-N 2 2 282.388 -0.593 20 0 CBADLP CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001365973708 895158557 /nfs/dbraw/zinc/15/85/57/895158557.db2.gz QBCNVYTWCIGLIP-VXGBXAGGSA-N 2 2 282.388 -0.593 20 0 CBADLP CCNC(=O)C[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001365973708 895158562 /nfs/dbraw/zinc/15/85/62/895158562.db2.gz QBCNVYTWCIGLIP-VXGBXAGGSA-N 2 2 282.388 -0.593 20 0 CBADLP CCNC(=O)C[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001365973708 895158566 /nfs/dbraw/zinc/15/85/66/895158566.db2.gz QBCNVYTWCIGLIP-VXGBXAGGSA-N 2 2 282.388 -0.593 20 0 CBADLP CN(C)C(=O)C[NH2+][C@H](CNC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001366057472 895182196 /nfs/dbraw/zinc/18/21/96/895182196.db2.gz MTVARBWWGNKGKW-LLVKDONJSA-N 2 2 293.371 -0.475 20 0 CBADLP C[C@H](CC(=O)NC[C@@H]([NH2+]CC(N)=O)C1CC1)n1cc[nH+]c1 ZINC001366062767 895182623 /nfs/dbraw/zinc/18/26/23/895182623.db2.gz QFDPFKURGHFLJE-ZYHUDNBSSA-N 2 2 293.371 -0.196 20 0 CBADLP C[C@@H](CC(=O)NC[C@H]([NH2+]CC(N)=O)C1CC1)n1cc[nH+]c1 ZINC001366062764 895182779 /nfs/dbraw/zinc/18/27/79/895182779.db2.gz QFDPFKURGHFLJE-JQWIXIFHSA-N 2 2 293.371 -0.196 20 0 CBADLP C[C@@H]([NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1)C(=O)N(C)C ZINC001366103752 895192160 /nfs/dbraw/zinc/19/21/60/895192160.db2.gz IYXDHTQRZMXETD-MNOVXSKESA-N 2 2 293.371 -0.381 20 0 CBADLP CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001366116171 895197096 /nfs/dbraw/zinc/19/70/96/895197096.db2.gz VXERAIDCZJYJCU-HAQNSBGRSA-N 2 2 293.371 -0.285 20 0 CBADLP CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001366116171 895197106 /nfs/dbraw/zinc/19/71/06/895197106.db2.gz VXERAIDCZJYJCU-HAQNSBGRSA-N 2 2 293.371 -0.285 20 0 CBADLP C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]Cc1nccn1C ZINC001366264811 895247125 /nfs/dbraw/zinc/24/71/25/895247125.db2.gz QEUPXODFYWVQRP-VXGBXAGGSA-N 2 2 295.387 -0.655 20 0 CBADLP C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]Cc1nccn1C ZINC001366264811 895247135 /nfs/dbraw/zinc/24/71/35/895247135.db2.gz QEUPXODFYWVQRP-VXGBXAGGSA-N 2 2 295.387 -0.655 20 0 CBADLP CCCNC(=O)C[NH2+][C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001366341380 895285619 /nfs/dbraw/zinc/28/56/19/895285619.db2.gz DLBJMLVPUVPGJD-SNVBAGLBSA-N 2 2 281.360 -0.427 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001366349056 895288856 /nfs/dbraw/zinc/28/88/56/895288856.db2.gz VGBHJUBQIHHHKL-NXEZZACHSA-N 2 2 281.360 -0.809 20 0 CBADLP C[C@H]([NH2+]C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1)C(N)=O ZINC001366410614 895312051 /nfs/dbraw/zinc/31/20/51/895312051.db2.gz BKHBEXFKPHVHLX-RYUDHWBXSA-N 2 2 293.371 -0.415 20 0 CBADLP C[C@@H]([NH2+]C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1)C(N)=O ZINC001366410601 895313707 /nfs/dbraw/zinc/31/37/07/895313707.db2.gz BKHBEXFKPHVHLX-NEPJUHHUSA-N 2 2 293.371 -0.415 20 0 CBADLP CNC(=O)C[NH2+][C@@H]1CCC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001366427519 895318716 /nfs/dbraw/zinc/31/87/16/895318716.db2.gz LZCWHNNHXCPCPU-MNOVXSKESA-N 2 2 293.371 -0.285 20 0 CBADLP C[C@@H](CCNC(=O)CCc1c[nH]c[nH+]1)[NH2+][C@@H]1CCNC1=O ZINC001366458534 895325002 /nfs/dbraw/zinc/32/50/02/895325002.db2.gz DKAWLAKJOKGBMZ-CMPLNLGQSA-N 2 2 293.371 -0.285 20 0 CBADLP C[C@@H](CCNC(=O)CCc1c[nH+]c[nH]1)[NH2+][C@@H]1CCNC1=O ZINC001366458534 895325010 /nfs/dbraw/zinc/32/50/10/895325010.db2.gz DKAWLAKJOKGBMZ-CMPLNLGQSA-N 2 2 293.371 -0.285 20 0 CBADLP C[C@@H](CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)[NH2+]CC(N)=O ZINC001366481017 895331195 /nfs/dbraw/zinc/33/11/95/895331195.db2.gz UZIHULYHLGWVHG-WDEREUQCSA-N 2 2 293.371 -0.585 20 0 CBADLP C[C@@H](O)C[N@H+](C)CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001366546132 895371137 /nfs/dbraw/zinc/37/11/37/895371137.db2.gz MNWGGJLWCQMUFE-VXGBXAGGSA-N 2 2 280.372 -0.126 20 0 CBADLP C[C@@H](O)C[N@@H+](C)CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001366546132 895371150 /nfs/dbraw/zinc/37/11/50/895371150.db2.gz MNWGGJLWCQMUFE-VXGBXAGGSA-N 2 2 280.372 -0.126 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NCC[N@@H+](C)[C@H]1CCN(C)C1=O ZINC001366552933 895379382 /nfs/dbraw/zinc/37/93/82/895379382.db2.gz VQPWGWFRXPDUBB-LBPRGKRZSA-N 2 2 293.371 -0.530 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NCC[N@H+](C)[C@H]1CCN(C)C1=O ZINC001366552933 895379398 /nfs/dbraw/zinc/37/93/98/895379398.db2.gz VQPWGWFRXPDUBB-LBPRGKRZSA-N 2 2 293.371 -0.530 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001366674816 895425344 /nfs/dbraw/zinc/42/53/44/895425344.db2.gz IQDNVCJOJXZJHT-OLZOCXBDSA-N 2 2 296.415 -0.203 20 0 CBADLP CC[C@H](C(N)=O)[N@H+](CCNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001366759189 895448772 /nfs/dbraw/zinc/44/87/72/895448772.db2.gz HBOFKXNSZCKBLU-GFCCVEGCSA-N 2 2 293.371 -0.272 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+](CCNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001366759189 895448785 /nfs/dbraw/zinc/44/87/85/895448785.db2.gz HBOFKXNSZCKBLU-GFCCVEGCSA-N 2 2 293.371 -0.272 20 0 CBADLP CN(CC[NH2+][C@@H]1CCCNC1=O)C(=O)CCc1c[nH]c[nH+]1 ZINC001366766281 895452828 /nfs/dbraw/zinc/45/28/28/895452828.db2.gz IODIXIGIMHCKEU-GFCCVEGCSA-N 2 2 293.371 -0.331 20 0 CBADLP CN(CC[NH2+][C@@H]1CCCNC1=O)C(=O)CCc1c[nH+]c[nH]1 ZINC001366766281 895452842 /nfs/dbraw/zinc/45/28/42/895452842.db2.gz IODIXIGIMHCKEU-GFCCVEGCSA-N 2 2 293.371 -0.331 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N(C)CC[NH2+][C@H](C)C(=O)N(C)C ZINC001366775294 895458567 /nfs/dbraw/zinc/45/85/67/895458567.db2.gz NDENWUDJNIRIQH-LLVKDONJSA-N 2 2 295.387 -0.215 20 0 CBADLP CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001366908745 895480096 /nfs/dbraw/zinc/48/00/96/895480096.db2.gz REKLKWVIZADEML-JSGCOSHPSA-N 2 2 298.431 -0.101 20 0 CBADLP CNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001366908745 895480102 /nfs/dbraw/zinc/48/01/02/895480102.db2.gz REKLKWVIZADEML-JSGCOSHPSA-N 2 2 298.431 -0.101 20 0 CBADLP COC[C@H](O)C[NH+]1CC(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001366937710 895495571 /nfs/dbraw/zinc/49/55/71/895495571.db2.gz APHAAJZSPMKMQQ-DGCLKSJQSA-N 2 2 285.388 -0.864 20 0 CBADLP COC[C@H](O)C[NH+]1CC(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001366937710 895495580 /nfs/dbraw/zinc/49/55/80/895495580.db2.gz APHAAJZSPMKMQQ-DGCLKSJQSA-N 2 2 285.388 -0.864 20 0 CBADLP CC[N@H+](C)CCC(=O)NC1C[NH+](C[C@@H](O)COC)C1 ZINC001366950879 895500593 /nfs/dbraw/zinc/50/05/93/895500593.db2.gz MIRXLXLUKTXKOB-GFCCVEGCSA-N 2 2 273.377 -0.864 20 0 CBADLP CC[N@@H+](C)CCC(=O)NC1C[NH+](C[C@@H](O)COC)C1 ZINC001366950879 895500604 /nfs/dbraw/zinc/50/06/04/895500604.db2.gz MIRXLXLUKTXKOB-GFCCVEGCSA-N 2 2 273.377 -0.864 20 0 CBADLP COC[C@@H](O)C[NH+]1CC(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001366970495 895511438 /nfs/dbraw/zinc/51/14/38/895511438.db2.gz DBMIVBKGUPDWAJ-ZDUSSCGKSA-N 2 2 296.371 -0.672 20 0 CBADLP CC[N@H+](C)CCC(=O)NCC1C[NH+](CC(=O)NC)C1 ZINC001366984708 895516672 /nfs/dbraw/zinc/51/66/72/895516672.db2.gz XSQICWQWFIRXGG-UHFFFAOYSA-N 2 2 270.377 -0.878 20 0 CBADLP CC[N@@H+](C)CCC(=O)NCC1C[NH+](CC(=O)NC)C1 ZINC001366984708 895516682 /nfs/dbraw/zinc/51/66/82/895516682.db2.gz XSQICWQWFIRXGG-UHFFFAOYSA-N 2 2 270.377 -0.878 20 0 CBADLP CC[C@@H](CNC(=O)CCc1[nH+]ccn1C)[NH2+][C@@H](C)C(N)=O ZINC001367115189 895565959 /nfs/dbraw/zinc/56/59/59/895565959.db2.gz GKWLTWVMWHSEST-QWRGUYRKSA-N 2 2 295.387 -0.289 20 0 CBADLP CC[C@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)[NH2+]CC(N)=O ZINC001367108348 895567056 /nfs/dbraw/zinc/56/70/56/895567056.db2.gz KLZNKVUQGINBEQ-GHMZBOCLSA-N 2 2 293.371 -0.585 20 0 CBADLP COc1cc[nH+]cc1CC(=O)NC[C@H](C)C[NH2+]CC(N)=O ZINC001367260866 895598776 /nfs/dbraw/zinc/59/87/76/895598776.db2.gz LROFMQVCFNPWTJ-SNVBAGLBSA-N 2 2 294.355 -0.540 20 0 CBADLP CC(C)C[C@H](C[NH2+]CC(N)=O)NC(=O)Cc1c[nH+]cn1C ZINC001367421973 895635118 /nfs/dbraw/zinc/63/51/18/895635118.db2.gz AEUOOSRUMDMKHZ-LLVKDONJSA-N 2 2 295.387 -0.432 20 0 CBADLP CCNC(=O)C[NH2+][C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C(C)C ZINC001367480345 895642254 /nfs/dbraw/zinc/64/22/54/895642254.db2.gz IKDVAFYUCLYBSQ-LBPRGKRZSA-N 2 2 295.387 -0.181 20 0 CBADLP CN(CC[N@H+](C)[C@H]1CCNC1=O)C(=O)[C@@H]1CCCC[NH+]1C ZINC001367519349 895652185 /nfs/dbraw/zinc/65/21/85/895652185.db2.gz AHHBVGZQAMMRMK-STQMWFEESA-N 2 2 296.415 -0.251 20 0 CBADLP CN(CC[N@@H+](C)[C@H]1CCNC1=O)C(=O)[C@@H]1CCCC[NH+]1C ZINC001367519349 895652194 /nfs/dbraw/zinc/65/21/94/895652194.db2.gz AHHBVGZQAMMRMK-STQMWFEESA-N 2 2 296.415 -0.251 20 0 CBADLP CN(CC[NH+](C)[C@H]1CCNC1=O)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001367519349 895652201 /nfs/dbraw/zinc/65/22/01/895652201.db2.gz AHHBVGZQAMMRMK-STQMWFEESA-N 2 2 296.415 -0.251 20 0 CBADLP CN(CC[NH+](C)[C@H]1CCNC1=O)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001367519349 895652214 /nfs/dbraw/zinc/65/22/14/895652214.db2.gz AHHBVGZQAMMRMK-STQMWFEESA-N 2 2 296.415 -0.251 20 0 CBADLP NC(=O)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC001367565312 895669264 /nfs/dbraw/zinc/66/92/64/895669264.db2.gz RNZIRRALMWIIIN-MNOVXSKESA-N 2 2 279.344 -0.757 20 0 CBADLP Cc1nc(C[NH2+]C[C@@H](O)CNC(=O)C[NH+]2CCCC2)co1 ZINC001367628593 895713096 /nfs/dbraw/zinc/71/30/96/895713096.db2.gz VLEHSGXLGWDLAR-CYBMUJFWSA-N 2 2 296.371 -0.354 20 0 CBADLP CO[C@H](C)C[NH2+]C[C@@H](O)CNC(=O)Cc1c[nH+]cn1C ZINC001367625214 895715444 /nfs/dbraw/zinc/71/54/44/895715444.db2.gz QCOBUWQIVDEAAG-ZYHUDNBSSA-N 2 2 284.360 -0.936 20 0 CBADLP C[C@H](C[NH2+]CC(N)=O)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001367671249 895738035 /nfs/dbraw/zinc/73/80/35/895738035.db2.gz UTNALNDOVZYOOG-SNVBAGLBSA-N 2 2 293.371 -0.659 20 0 CBADLP CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001367689502 895748816 /nfs/dbraw/zinc/74/88/16/895748816.db2.gz WLRFVJBYTODCSV-LLVKDONJSA-N 2 2 295.387 -0.417 20 0 CBADLP C[C@@H]([NH2+]C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1)C(=O)NC1CC1 ZINC001367759141 895788984 /nfs/dbraw/zinc/78/89/84/895788984.db2.gz MGLPSNLFLKOEGR-VHSXEESVSA-N 2 2 293.371 -0.286 20 0 CBADLP C[C@@H](C[NH2+]Cc1cnnn1C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001367762582 895798624 /nfs/dbraw/zinc/79/86/24/895798624.db2.gz FXIXFYCLPKJGQD-VIFPVBQESA-N 2 2 277.332 -0.625 20 0 CBADLP COC[C@@H](O)C[NH2+]C[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001367763578 895799644 /nfs/dbraw/zinc/79/96/44/895799644.db2.gz MKWQBAOBZUWLHB-UWVGGRQHSA-N 2 2 270.333 -0.946 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)NC[C@H]1CC[N@@H+]1CCCO ZINC001367972444 895874953 /nfs/dbraw/zinc/87/49/53/895874953.db2.gz LDANRTXRCKYCTJ-CYBMUJFWSA-N 2 2 280.372 -0.074 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)NC[C@H]1CC[N@H+]1CCCO ZINC001367972444 895874959 /nfs/dbraw/zinc/87/49/59/895874959.db2.gz LDANRTXRCKYCTJ-CYBMUJFWSA-N 2 2 280.372 -0.074 20 0 CBADLP CCC[N@H+](C)CCC(=O)NC[C@H]1CC[NH+]1[C@H]1CCNC1=O ZINC001367975203 895876653 /nfs/dbraw/zinc/87/66/53/895876653.db2.gz BELPYZYUSHZGAC-OLZOCXBDSA-N 2 2 296.415 -0.203 20 0 CBADLP CCC[N@@H+](C)CCC(=O)NC[C@H]1CC[NH+]1[C@H]1CCNC1=O ZINC001367975203 895876660 /nfs/dbraw/zinc/87/66/60/895876660.db2.gz BELPYZYUSHZGAC-OLZOCXBDSA-N 2 2 296.415 -0.203 20 0 CBADLP CCC[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+]1[C@H]1CCNC1=O ZINC001367975203 895876677 /nfs/dbraw/zinc/87/66/77/895876677.db2.gz BELPYZYUSHZGAC-OLZOCXBDSA-N 2 2 296.415 -0.203 20 0 CBADLP CCC[NH+](C)CCC(=O)NC[C@H]1CC[N@H+]1[C@H]1CCNC1=O ZINC001367975203 895876679 /nfs/dbraw/zinc/87/66/79/895876679.db2.gz BELPYZYUSHZGAC-OLZOCXBDSA-N 2 2 296.415 -0.203 20 0 CBADLP CC[C@@H](C(=O)N(C)C1C[NH+](C[C@H](O)COC)C1)[NH+](C)C ZINC001368081727 895908757 /nfs/dbraw/zinc/90/87/57/895908757.db2.gz KBTYTWDSPZWDOE-STQMWFEESA-N 2 2 287.404 -0.524 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)N1CCC[C@@H]1C[NH2+]CC(N)=O ZINC001368108028 895917158 /nfs/dbraw/zinc/91/71/58/895917158.db2.gz JALSHBQDHHMWTO-LLVKDONJSA-N 2 2 293.371 -0.581 20 0 CBADLP CC1(CNC(=O)Cn2cc[nH+]c2)CC[NH+](CC(N)=O)CC1 ZINC001368207114 895934525 /nfs/dbraw/zinc/93/45/25/895934525.db2.gz BNAOMVVHXPLTIQ-UHFFFAOYSA-N 2 2 293.371 -0.413 20 0 CBADLP C[C@H](O)C[N@@H+]1CC[C@](O)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001368260773 895950104 /nfs/dbraw/zinc/95/01/04/895950104.db2.gz SACXAJWIIVXMAK-JSGCOSHPSA-N 2 2 296.371 -0.793 20 0 CBADLP C[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001368260773 895950109 /nfs/dbraw/zinc/95/01/09/895950109.db2.gz SACXAJWIIVXMAK-JSGCOSHPSA-N 2 2 296.371 -0.793 20 0 CBADLP C[C@H](O)C[N@@H+]1CC[C@@](O)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001368260771 895950416 /nfs/dbraw/zinc/95/04/16/895950416.db2.gz SACXAJWIIVXMAK-GXTWGEPZSA-N 2 2 296.371 -0.793 20 0 CBADLP C[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001368260771 895950424 /nfs/dbraw/zinc/95/04/24/895950424.db2.gz SACXAJWIIVXMAK-GXTWGEPZSA-N 2 2 296.371 -0.793 20 0 CBADLP C[C@@H](O)C[N@@H+]1CC[C@](O)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001368260775 895950748 /nfs/dbraw/zinc/95/07/48/895950748.db2.gz SACXAJWIIVXMAK-OCCSQVGLSA-N 2 2 296.371 -0.793 20 0 CBADLP C[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001368260775 895950765 /nfs/dbraw/zinc/95/07/65/895950765.db2.gz SACXAJWIIVXMAK-OCCSQVGLSA-N 2 2 296.371 -0.793 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC[C@]1(O)CC[N@H+](CC2CC2)C1 ZINC001368282790 895962135 /nfs/dbraw/zinc/96/21/35/895962135.db2.gz UWPRLILCRKHRNY-OAHLLOKOSA-N 2 2 292.383 -0.074 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC[C@]1(O)CC[N@@H+](CC2CC2)C1 ZINC001368282790 895962141 /nfs/dbraw/zinc/96/21/41/895962141.db2.gz UWPRLILCRKHRNY-OAHLLOKOSA-N 2 2 292.383 -0.074 20 0 CBADLP COC[C@H](O)C[NH2+]C1CC[NH+](CCNC(C)=O)CC1 ZINC001368358440 895990202 /nfs/dbraw/zinc/99/02/02/895990202.db2.gz IGZVEHFIUJTVKG-CYBMUJFWSA-N 2 2 273.377 -0.816 20 0 CBADLP CO[C@H](C)C[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001368506953 896021701 /nfs/dbraw/zinc/02/17/01/896021701.db2.gz GRVQCCQNYAZFPC-VXGBXAGGSA-N 2 2 296.371 -0.196 20 0 CBADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001368502240 896024002 /nfs/dbraw/zinc/02/40/02/896024002.db2.gz ITQLGQSAKGIBGB-GARJFASQSA-N 2 2 293.371 -0.442 20 0 CBADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001368502240 896024014 /nfs/dbraw/zinc/02/40/14/896024014.db2.gz ITQLGQSAKGIBGB-GARJFASQSA-N 2 2 293.371 -0.442 20 0 CBADLP C[C@@H]([NH2+][C@@H](C)CCNC(=O)Cc1c[nH+]cn1C)C(N)=O ZINC001368747724 896074168 /nfs/dbraw/zinc/07/41/68/896074168.db2.gz YYHDDWAKILGUCX-VHSXEESVSA-N 2 2 281.360 -0.679 20 0 CBADLP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC(N)=O)[C@@H]1C ZINC001368789393 896083996 /nfs/dbraw/zinc/08/39/96/896083996.db2.gz GXTYWEHWABHPFY-MNOVXSKESA-N 2 2 270.377 -0.608 20 0 CBADLP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CC(N)=O)[C@@H]1C ZINC001368789393 896084008 /nfs/dbraw/zinc/08/40/08/896084008.db2.gz GXTYWEHWABHPFY-MNOVXSKESA-N 2 2 270.377 -0.608 20 0 CBADLP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](CC(N)=O)[C@@H]1C ZINC001368789393 896084019 /nfs/dbraw/zinc/08/40/19/896084019.db2.gz GXTYWEHWABHPFY-MNOVXSKESA-N 2 2 270.377 -0.608 20 0 CBADLP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CC(N)=O)[C@@H]1C ZINC001368789393 896084030 /nfs/dbraw/zinc/08/40/30/896084030.db2.gz GXTYWEHWABHPFY-MNOVXSKESA-N 2 2 270.377 -0.608 20 0 CBADLP CNC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001368854453 896101430 /nfs/dbraw/zinc/10/14/30/896101430.db2.gz AIBKRGYJBCGTQM-QWRGUYRKSA-N 2 2 281.360 -0.498 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)NC2(CCO)C[NH+](CCO)C2)CC[N@@H+]1C ZINC001369021507 896138651 /nfs/dbraw/zinc/13/86/51/896138651.db2.gz VEZAUEYCRTXPCH-QWHCGFSZSA-N 2 2 299.415 -0.738 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)NC2(CCO)C[NH+](CCO)C2)CC[N@H+]1C ZINC001369021507 896138657 /nfs/dbraw/zinc/13/86/57/896138657.db2.gz VEZAUEYCRTXPCH-QWHCGFSZSA-N 2 2 299.415 -0.738 20 0 CBADLP C[C@@H](NC(=O)CCC[NH+]1CCCC1)C1C[NH+](CC(N)=O)C1 ZINC001369100995 896153286 /nfs/dbraw/zinc/15/32/86/896153286.db2.gz YSPMWMXRVVSACW-GFCCVEGCSA-N 2 2 296.415 -0.216 20 0 CBADLP CC[C@@H](C(=O)N[C@H]1C[N@H+](CC(N)=O)CC1(C)C)[NH+](C)C ZINC001369119459 896156303 /nfs/dbraw/zinc/15/63/03/896156303.db2.gz QMRUXYURMZBBCI-QWRGUYRKSA-N 2 2 284.404 -0.362 20 0 CBADLP CC[C@@H](C(=O)N[C@H]1C[N@@H+](CC(N)=O)CC1(C)C)[NH+](C)C ZINC001369119459 896156310 /nfs/dbraw/zinc/15/63/10/896156310.db2.gz QMRUXYURMZBBCI-QWRGUYRKSA-N 2 2 284.404 -0.362 20 0 CBADLP CCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001369338942 896223191 /nfs/dbraw/zinc/22/31/91/896223191.db2.gz NPORPKQGJFBVOY-VXGBXAGGSA-N 2 2 280.372 -0.078 20 0 CBADLP C[C@@H](O)C[N@H+](C)C[C@H](O)CN(C)C(=O)CCn1cc[nH+]c1 ZINC001369501842 896301993 /nfs/dbraw/zinc/30/19/93/896301993.db2.gz JITDMPFOPSTBQX-OLZOCXBDSA-N 2 2 298.387 -0.595 20 0 CBADLP C[C@@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)CCn1cc[nH+]c1 ZINC001369501842 896302004 /nfs/dbraw/zinc/30/20/04/896302004.db2.gz JITDMPFOPSTBQX-OLZOCXBDSA-N 2 2 298.387 -0.595 20 0 CBADLP C[C@H](NC(=O)CC[NH+](C)C)[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001369727638 896335329 /nfs/dbraw/zinc/33/53/29/896335329.db2.gz UWCXQZNQSCNDSX-QWRGUYRKSA-N 2 2 295.387 -0.087 20 0 CBADLP C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001369727636 896335806 /nfs/dbraw/zinc/33/58/06/896335806.db2.gz UWCXQZNQSCNDSX-GHMZBOCLSA-N 2 2 295.387 -0.087 20 0 CBADLP CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001369977189 896381085 /nfs/dbraw/zinc/38/10/85/896381085.db2.gz BZTMCQYRASDNFS-VXGBXAGGSA-N 2 2 284.404 -0.347 20 0 CBADLP CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001369977189 896381103 /nfs/dbraw/zinc/38/11/03/896381103.db2.gz BZTMCQYRASDNFS-VXGBXAGGSA-N 2 2 284.404 -0.347 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001369989008 896381172 /nfs/dbraw/zinc/38/11/72/896381172.db2.gz WCGJUIGFSRTZCF-GHMZBOCLSA-N 2 2 282.388 -0.465 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001369989008 896381186 /nfs/dbraw/zinc/38/11/86/896381186.db2.gz WCGJUIGFSRTZCF-GHMZBOCLSA-N 2 2 282.388 -0.465 20 0 CBADLP NC(=O)C[NH2+][C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC1 ZINC001370165269 896407770 /nfs/dbraw/zinc/40/77/70/896407770.db2.gz FFNSMDYTIDYMRE-GMTAPVOTSA-N 2 2 291.355 -0.517 20 0 CBADLP NC(=O)C[NH2+][C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC1 ZINC001370165269 896407778 /nfs/dbraw/zinc/40/77/78/896407778.db2.gz FFNSMDYTIDYMRE-GMTAPVOTSA-N 2 2 291.355 -0.517 20 0 CBADLP CNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001370391768 896422788 /nfs/dbraw/zinc/42/27/88/896422788.db2.gz PINSTOJNLNGCLN-QWRGUYRKSA-N 2 2 293.371 -0.475 20 0 CBADLP O=C(C[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1)NC1CC1 ZINC001370409420 896423525 /nfs/dbraw/zinc/42/35/25/896423525.db2.gz ZKNGTZJLKMSABI-NSHDSACASA-N 2 2 291.355 -0.579 20 0 CBADLP CNC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001370406478 896423849 /nfs/dbraw/zinc/42/38/49/896423849.db2.gz NYSVOWQGMUARQU-JTQLQIEISA-N 2 2 279.344 -0.803 20 0 CBADLP CCCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001370563170 896440124 /nfs/dbraw/zinc/44/01/24/896440124.db2.gz VVOBLGHCMRJHKZ-HAQNSBGRSA-N 2 2 293.371 -0.354 20 0 CBADLP CC(C)NC(=O)C[NH2+][C@@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001371312440 896587758 /nfs/dbraw/zinc/58/77/58/896587758.db2.gz AIWXEDSWMUREPQ-LBPRGKRZSA-N 2 2 295.387 -0.108 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC001371445601 896609786 /nfs/dbraw/zinc/60/97/86/896609786.db2.gz SNQQGOMHIPFVMZ-MNOVXSKESA-N 2 2 295.387 -0.419 20 0 CBADLP C[C@H](CCNC(=O)[C@H]1CCn2c[nH+]cc2C1)[NH2+]CC(N)=O ZINC001371784161 896660285 /nfs/dbraw/zinc/66/02/85/896660285.db2.gz VLHQRHUZVQOVAN-MNOVXSKESA-N 2 2 293.371 -0.585 20 0 CBADLP C[NH+](C)[C@H](C(=O)NCC[N@H+](C)CC(N)=O)c1ccccc1 ZINC001372249209 896759980 /nfs/dbraw/zinc/75/99/80/896759980.db2.gz UXLOBHNXPZSWSM-AWEZNQCLSA-N 2 2 292.383 -0.177 20 0 CBADLP C[NH+](C)[C@H](C(=O)NCC[N@@H+](C)CC(N)=O)c1ccccc1 ZINC001372249209 896759990 /nfs/dbraw/zinc/75/99/90/896759990.db2.gz UXLOBHNXPZSWSM-AWEZNQCLSA-N 2 2 292.383 -0.177 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC[C@@H]1CCC[N@H+]1[C@@H](C)C(N)=O ZINC001372567152 896806722 /nfs/dbraw/zinc/80/67/22/896806722.db2.gz MVLSVDZUJPDSPT-JQWIXIFHSA-N 2 2 293.371 -0.354 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC[C@@H]1CCC[N@@H+]1[C@@H](C)C(N)=O ZINC001372567152 896806736 /nfs/dbraw/zinc/80/67/36/896806736.db2.gz MVLSVDZUJPDSPT-JQWIXIFHSA-N 2 2 293.371 -0.354 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CCC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001372562031 896810320 /nfs/dbraw/zinc/81/03/20/896810320.db2.gz BEKNIACQWWXPMV-RYUDHWBXSA-N 2 2 282.388 -0.463 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CCC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001372562031 896810340 /nfs/dbraw/zinc/81/03/40/896810340.db2.gz BEKNIACQWWXPMV-RYUDHWBXSA-N 2 2 282.388 -0.463 20 0 CBADLP Cn1ncc(C[N@@H+]2CC[C@@H](CNC(=O)CC[NH+](C)C)C2)n1 ZINC001372652383 896827865 /nfs/dbraw/zinc/82/78/65/896827865.db2.gz PLOCELRNFSXCJB-LBPRGKRZSA-N 2 2 294.403 -0.295 20 0 CBADLP Cn1ncc(C[N@H+]2CC[C@@H](CNC(=O)CC[NH+](C)C)C2)n1 ZINC001372652383 896827879 /nfs/dbraw/zinc/82/78/79/896827879.db2.gz PLOCELRNFSXCJB-LBPRGKRZSA-N 2 2 294.403 -0.295 20 0 CBADLP C[C@H](CNC(=O)CC[NH+](C)C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001373066588 896935293 /nfs/dbraw/zinc/93/52/93/896935293.db2.gz NTYHFUJEFYFSFK-LLVKDONJSA-N 2 2 295.387 -0.085 20 0 CBADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001373118151 896947602 /nfs/dbraw/zinc/94/76/02/896947602.db2.gz NPNNNVWCKJVZRN-WDEREUQCSA-N 2 2 293.371 -0.475 20 0 CBADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001373118151 896947612 /nfs/dbraw/zinc/94/76/12/896947612.db2.gz NPNNNVWCKJVZRN-WDEREUQCSA-N 2 2 293.371 -0.475 20 0 CBADLP C[N@@H+](CC(N)=O)CC1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001373325253 896974502 /nfs/dbraw/zinc/97/45/02/896974502.db2.gz JAQXVVMOPCCLJU-UHFFFAOYSA-N 2 2 293.371 -0.392 20 0 CBADLP C[N@H+](CC(N)=O)CC1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001373325253 896974515 /nfs/dbraw/zinc/97/45/15/896974515.db2.gz JAQXVVMOPCCLJU-UHFFFAOYSA-N 2 2 293.371 -0.392 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NCC1C[NH+](CC(=O)NC2CC2)C1 ZINC001373560758 897053557 /nfs/dbraw/zinc/05/35/57/897053557.db2.gz OUXIOFJVDMDWRV-UHFFFAOYSA-N 2 2 296.415 -0.347 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NCC1C[NH+](CC(=O)NC2CC2)C1 ZINC001373560758 897053572 /nfs/dbraw/zinc/05/35/72/897053572.db2.gz OUXIOFJVDMDWRV-UHFFFAOYSA-N 2 2 296.415 -0.347 20 0 CBADLP COC[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001373609455 897068457 /nfs/dbraw/zinc/06/84/57/897068457.db2.gz YIBAPVCSRFZKPC-AAEUAGOBSA-N 2 2 296.371 -0.840 20 0 CBADLP COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001373609455 897068465 /nfs/dbraw/zinc/06/84/65/897068465.db2.gz YIBAPVCSRFZKPC-AAEUAGOBSA-N 2 2 296.371 -0.840 20 0 CBADLP CN(C(=O)C1([NH+](C)C)CCC1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001373674565 897096158 /nfs/dbraw/zinc/09/61/58/897096158.db2.gz VSPAFHZNBUOOHN-NSHDSACASA-N 2 2 282.388 -0.511 20 0 CBADLP CN(C(=O)C1([NH+](C)C)CCC1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001373674565 897096168 /nfs/dbraw/zinc/09/61/68/897096168.db2.gz VSPAFHZNBUOOHN-NSHDSACASA-N 2 2 282.388 -0.511 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)C2([NH+](C)C)CCC2)C1 ZINC001373669733 897096539 /nfs/dbraw/zinc/09/65/39/897096539.db2.gz CGQGWOKNKQIXHU-GFCCVEGCSA-N 2 2 296.415 -0.251 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)C2([NH+](C)C)CCC2)C1 ZINC001373669733 897096552 /nfs/dbraw/zinc/09/65/52/897096552.db2.gz CGQGWOKNKQIXHU-GFCCVEGCSA-N 2 2 296.415 -0.251 20 0 CBADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)C[NH2+]Cc1cnn(C)n1 ZINC001374075254 897163898 /nfs/dbraw/zinc/16/38/98/897163898.db2.gz IFRDGCFZKXMODO-JTQLQIEISA-N 2 2 291.359 -0.377 20 0 CBADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)C[NH2+]Cc1cn(C)nn1 ZINC001374089837 897167708 /nfs/dbraw/zinc/16/77/08/897167708.db2.gz HSWZISSZDFSKAP-SNVBAGLBSA-N 2 2 291.359 -0.377 20 0 CBADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)C[NH2+][C@H]1CCN(C)C1=O ZINC001374079094 897168388 /nfs/dbraw/zinc/16/83/88/897168388.db2.gz ODPZYTUWCBNCEN-JQWIXIFHSA-N 2 2 293.371 -0.475 20 0 CBADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)C[NH2+][C@@H]1CCN(C)C1=O ZINC001374089102 897168694 /nfs/dbraw/zinc/16/86/94/897168694.db2.gz CMBZZVXLNPHNFA-WDEREUQCSA-N 2 2 293.371 -0.475 20 0 CBADLP COC[C@H](O)C[NH2+]C[C@@H](C)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001374306992 897213895 /nfs/dbraw/zinc/21/38/95/897213895.db2.gz YKFGAYVYZQWJQN-GHMZBOCLSA-N 2 2 284.360 -0.604 20 0 CBADLP C[C@@H](C[NH2+][C@@H]1CCN(C)C1=O)N(C)C(=O)Cn1cc[nH+]c1 ZINC001374330423 897214758 /nfs/dbraw/zinc/21/47/58/897214758.db2.gz MTYAAKWOUURUKM-NWDGAFQWSA-N 2 2 293.371 -0.450 20 0 CBADLP CC(C)[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+][C@H]1CCNC1=O ZINC001374452296 897229355 /nfs/dbraw/zinc/22/93/55/897229355.db2.gz KSVMLLUWNKLYCU-RYUDHWBXSA-N 2 2 293.371 -0.498 20 0 CBADLP CC[C@@H](C(=O)N(C)CC[N@H+](C)CC(=O)NC1CC1)[NH+](C)C ZINC001374552655 897254436 /nfs/dbraw/zinc/25/44/36/897254436.db2.gz SVBOQZGRYPUAKE-ZDUSSCGKSA-N 2 2 298.431 -0.005 20 0 CBADLP CC[C@@H](C(=O)N(C)CC[N@@H+](C)CC(=O)NC1CC1)[NH+](C)C ZINC001374552655 897254447 /nfs/dbraw/zinc/25/44/47/897254447.db2.gz SVBOQZGRYPUAKE-ZDUSSCGKSA-N 2 2 298.431 -0.005 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](O)C[NH2+]C[C@H]1CCOC1 ZINC001374682643 897343273 /nfs/dbraw/zinc/34/32/73/897343273.db2.gz XVJQWPUWFPAOQQ-VXGBXAGGSA-N 2 2 296.371 -0.636 20 0 CBADLP CC[C@H]([NH2+]CC[C@H](C)NC(=O)Cc1c[nH+]cn1C)C(N)=O ZINC001374710864 897351795 /nfs/dbraw/zinc/35/17/95/897351795.db2.gz ZNQIXTDUZKXPBJ-JQWIXIFHSA-N 2 2 295.387 -0.289 20 0 CBADLP CCC[N@H+](C)CC(=O)NC1CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001374730049 897356065 /nfs/dbraw/zinc/35/60/65/897356065.db2.gz PPBJISUNKZYQRZ-UHFFFAOYSA-N 2 2 293.371 -0.379 20 0 CBADLP CCC[N@@H+](C)CC(=O)NC1CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001374730049 897356076 /nfs/dbraw/zinc/35/60/76/897356076.db2.gz PPBJISUNKZYQRZ-UHFFFAOYSA-N 2 2 293.371 -0.379 20 0 CBADLP C[NH+](C)CCC(=O)NC1CN(C(=O)Cn2cc[nH+]c2)C1 ZINC001374760196 897379611 /nfs/dbraw/zinc/37/96/11/897379611.db2.gz MKPUTJLTANCATO-UHFFFAOYSA-N 2 2 279.344 -0.838 20 0 CBADLP C[C@H](C[NH2+]Cc1ccnn1C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001374815026 897398618 /nfs/dbraw/zinc/39/86/18/897398618.db2.gz DRQJYWBYLWUWDD-SNVBAGLBSA-N 2 2 276.344 -0.020 20 0 CBADLP C[C@H](C[NH2+]CC(=O)N1CCC1)NC(=O)Cn1cc[nH+]c1 ZINC001374853165 897410968 /nfs/dbraw/zinc/41/09/68/897410968.db2.gz QBPCCEQZSOAQEX-LLVKDONJSA-N 2 2 279.344 -0.790 20 0 CBADLP C[C@H](C[NH+](C)Cc1cnnn1C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001375017573 897459799 /nfs/dbraw/zinc/45/97/99/897459799.db2.gz ICIPZKIWRXODAA-DGCLKSJQSA-N 2 2 294.403 -0.154 20 0 CBADLP C[C@H](C[N@H+](C)Cc1cnnn1C)NC(=O)[C@H]1CCC[NH+]1C ZINC001375017573 897459784 /nfs/dbraw/zinc/45/97/84/897459784.db2.gz ICIPZKIWRXODAA-DGCLKSJQSA-N 2 2 294.403 -0.154 20 0 CBADLP C[C@H](C[N@@H+](C)Cc1cnnn1C)NC(=O)[C@H]1CCC[NH+]1C ZINC001375017573 897459789 /nfs/dbraw/zinc/45/97/89/897459789.db2.gz ICIPZKIWRXODAA-DGCLKSJQSA-N 2 2 294.403 -0.154 20 0 CBADLP C[C@H](C[NH+](C)Cc1cnnn1C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001375017573 897459804 /nfs/dbraw/zinc/45/98/04/897459804.db2.gz ICIPZKIWRXODAA-DGCLKSJQSA-N 2 2 294.403 -0.154 20 0 CBADLP C[C@H](C[N@H+](C)CCn1cncn1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001375110249 897479602 /nfs/dbraw/zinc/47/96/02/897479602.db2.gz KCOSIRPKQAQTCQ-LLVKDONJSA-N 2 2 291.359 -0.320 20 0 CBADLP C[C@H](C[N@@H+](C)CCn1cncn1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001375110249 897479615 /nfs/dbraw/zinc/47/96/15/897479615.db2.gz KCOSIRPKQAQTCQ-LLVKDONJSA-N 2 2 291.359 -0.320 20 0 CBADLP CCNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001375123068 897481026 /nfs/dbraw/zinc/48/10/26/897481026.db2.gz YJXJQKYWJMLBGO-LLVKDONJSA-N 2 2 295.387 -0.236 20 0 CBADLP CCNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001375123068 897481032 /nfs/dbraw/zinc/48/10/32/897481032.db2.gz YJXJQKYWJMLBGO-LLVKDONJSA-N 2 2 295.387 -0.236 20 0 CBADLP C[NH+](C)CCCC(=O)NC[C@H]1CC[N@@H+]1[C@H]1CCCNC1=O ZINC001375336554 897521211 /nfs/dbraw/zinc/52/12/11/897521211.db2.gz WNHAQIXQUXEQCM-OLZOCXBDSA-N 2 2 296.415 -0.203 20 0 CBADLP C[NH+](C)CCCC(=O)NC[C@H]1CC[N@H+]1[C@H]1CCCNC1=O ZINC001375336554 897521223 /nfs/dbraw/zinc/52/12/23/897521223.db2.gz WNHAQIXQUXEQCM-OLZOCXBDSA-N 2 2 296.415 -0.203 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001375378850 897531315 /nfs/dbraw/zinc/53/13/15/897531315.db2.gz UIEOESNQAADPLY-QWHCGFSZSA-N 2 2 296.415 -0.073 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001375378850 897531331 /nfs/dbraw/zinc/53/13/31/897531331.db2.gz UIEOESNQAADPLY-QWHCGFSZSA-N 2 2 296.415 -0.073 20 0 CBADLP CC[C@H](C(=O)NCC1([NH2+]Cc2nnnn2C)CC1)[NH+](C)C ZINC001375520035 897560784 /nfs/dbraw/zinc/56/07/84/897560784.db2.gz FJWYSBVYHGGBSB-SNVBAGLBSA-N 2 2 295.391 -0.711 20 0 CBADLP CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@H]1C ZINC001375648497 897583068 /nfs/dbraw/zinc/58/30/68/897583068.db2.gz QTJVNXXLLHRMGW-AGIUHOORSA-N 2 2 296.415 -0.204 20 0 CBADLP CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@H]1C ZINC001375648497 897583088 /nfs/dbraw/zinc/58/30/88/897583088.db2.gz QTJVNXXLLHRMGW-AGIUHOORSA-N 2 2 296.415 -0.204 20 0 CBADLP CCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)[C@H]1C ZINC001375648497 897583101 /nfs/dbraw/zinc/58/31/01/897583101.db2.gz QTJVNXXLLHRMGW-AGIUHOORSA-N 2 2 296.415 -0.204 20 0 CBADLP CCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)[C@H]1C ZINC001375648497 897583120 /nfs/dbraw/zinc/58/31/20/897583120.db2.gz QTJVNXXLLHRMGW-AGIUHOORSA-N 2 2 296.415 -0.204 20 0 CBADLP C[C@@H]([NH2+]C[C@@H]1CCCN1C(=O)CCn1cc[nH+]c1)C(N)=O ZINC001375763533 897601815 /nfs/dbraw/zinc/60/18/15/897601815.db2.gz WKXAHVHMCJFJNO-NEPJUHHUSA-N 2 2 293.371 -0.272 20 0 CBADLP CNC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001375747548 897602131 /nfs/dbraw/zinc/60/21/31/897602131.db2.gz RTXJYYWTPNZLFK-MNOVXSKESA-N 2 2 293.371 -0.333 20 0 CBADLP C[C@@H]([NH2+]C[C@H]1CCCN1C(=O)CCn1cc[nH+]c1)C(N)=O ZINC001375763545 897603077 /nfs/dbraw/zinc/60/30/77/897603077.db2.gz WKXAHVHMCJFJNO-VXGBXAGGSA-N 2 2 293.371 -0.272 20 0 CBADLP CCC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+](CC(N)=O)C1 ZINC001376067363 897645437 /nfs/dbraw/zinc/64/54/37/897645437.db2.gz DZHDDAZRFAUPPA-GFCCVEGCSA-N 2 2 284.404 -0.216 20 0 CBADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1CCC[NH+](CC(N)=O)C1 ZINC001376067363 897645446 /nfs/dbraw/zinc/64/54/46/897645446.db2.gz DZHDDAZRFAUPPA-GFCCVEGCSA-N 2 2 284.404 -0.216 20 0 CBADLP CCC[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001376067363 897645454 /nfs/dbraw/zinc/64/54/54/897645454.db2.gz DZHDDAZRFAUPPA-GFCCVEGCSA-N 2 2 284.404 -0.216 20 0 CBADLP CCC[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001376067363 897645458 /nfs/dbraw/zinc/64/54/58/897645458.db2.gz DZHDDAZRFAUPPA-GFCCVEGCSA-N 2 2 284.404 -0.216 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)NC[C@]1(O)CC[N@H+](CCF)C1 ZINC001376086740 897648774 /nfs/dbraw/zinc/64/87/74/897648774.db2.gz DOMUUFPBRBRYDZ-CQSZACIVSA-N 2 2 298.362 -0.125 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)NC[C@]1(O)CC[N@@H+](CCF)C1 ZINC001376086740 897648785 /nfs/dbraw/zinc/64/87/85/897648785.db2.gz DOMUUFPBRBRYDZ-CQSZACIVSA-N 2 2 298.362 -0.125 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)NC[C@@]1(O)CC[N@H+](CCF)C1 ZINC001376086739 897648975 /nfs/dbraw/zinc/64/89/75/897648975.db2.gz DOMUUFPBRBRYDZ-AWEZNQCLSA-N 2 2 298.362 -0.125 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)NC[C@@]1(O)CC[N@@H+](CCF)C1 ZINC001376086739 897648986 /nfs/dbraw/zinc/64/89/86/897648986.db2.gz DOMUUFPBRBRYDZ-AWEZNQCLSA-N 2 2 298.362 -0.125 20 0 CBADLP O=C(CCCn1cc[nH+]c1)NC[C@]1(O)CC[N@@H+](CCO)C1 ZINC001376119262 897661052 /nfs/dbraw/zinc/66/10/52/897661052.db2.gz KWJITJFTBWPYIV-CQSZACIVSA-N 2 2 296.371 -0.791 20 0 CBADLP O=C(CCCn1cc[nH+]c1)NC[C@]1(O)CC[N@H+](CCO)C1 ZINC001376119262 897661058 /nfs/dbraw/zinc/66/10/58/897661058.db2.gz KWJITJFTBWPYIV-CQSZACIVSA-N 2 2 296.371 -0.791 20 0 CBADLP CC(C)NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001376120786 897661098 /nfs/dbraw/zinc/66/10/98/897661098.db2.gz UFQHDUVXHWNAOV-QWHCGFSZSA-N 2 2 296.415 -0.204 20 0 CBADLP CC(C)NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001376120786 897661104 /nfs/dbraw/zinc/66/11/04/897661104.db2.gz UFQHDUVXHWNAOV-QWHCGFSZSA-N 2 2 296.415 -0.204 20 0 CBADLP CC(C)NC(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001376120786 897661112 /nfs/dbraw/zinc/66/11/12/897661112.db2.gz UFQHDUVXHWNAOV-QWHCGFSZSA-N 2 2 296.415 -0.204 20 0 CBADLP CC(C)NC(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001376120786 897661114 /nfs/dbraw/zinc/66/11/14/897661114.db2.gz UFQHDUVXHWNAOV-QWHCGFSZSA-N 2 2 296.415 -0.204 20 0 CBADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1(O)C[NH+](C[C@H](C)O)C1 ZINC001376183817 897682748 /nfs/dbraw/zinc/68/27/48/897682748.db2.gz QPVXQPRMEDPWBG-QWHCGFSZSA-N 2 2 299.415 -0.596 20 0 CBADLP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1(O)C[NH+](C[C@H](C)O)C1 ZINC001376183817 897682756 /nfs/dbraw/zinc/68/27/56/897682756.db2.gz QPVXQPRMEDPWBG-QWHCGFSZSA-N 2 2 299.415 -0.596 20 0 CBADLP CCC[N@H+](C)CC(=O)NCC1(O)C[NH+]([C@H](C)COC)C1 ZINC001376269290 897702761 /nfs/dbraw/zinc/70/27/61/897702761.db2.gz LGFYRLFMQAODJE-GFCCVEGCSA-N 2 2 287.404 -0.474 20 0 CBADLP CCC[N@@H+](C)CC(=O)NCC1(O)C[NH+]([C@H](C)COC)C1 ZINC001376269290 897702769 /nfs/dbraw/zinc/70/27/69/897702769.db2.gz LGFYRLFMQAODJE-GFCCVEGCSA-N 2 2 287.404 -0.474 20 0 CBADLP C[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CCO1 ZINC001376843453 897868331 /nfs/dbraw/zinc/86/83/31/897868331.db2.gz DYVWLLRORKSYFG-WCQYABFASA-N 2 2 296.371 -0.840 20 0 CBADLP C[C@H](CNC(=O)CCc1c[nH+]cn1C)[NH2+][C@@H](C)C(N)=O ZINC001376872842 897875026 /nfs/dbraw/zinc/87/50/26/897875026.db2.gz VATSPAGWXPYRGX-ZJUUUORDSA-N 2 2 281.360 -0.679 20 0 CBADLP C[C@@H]([NH2+][C@@H](C)CNC(=O)CCc1c[nH+]cn1C)C(N)=O ZINC001376872841 897877236 /nfs/dbraw/zinc/87/72/36/897877236.db2.gz VATSPAGWXPYRGX-VHSXEESVSA-N 2 2 281.360 -0.679 20 0 CBADLP C[C@H](CCNC(=O)[C@H]1CCc2c[nH+]cn2C1)[NH2+]CC(N)=O ZINC001377047675 897917037 /nfs/dbraw/zinc/91/70/37/897917037.db2.gz KTGNPKKRDYIGFD-MNOVXSKESA-N 2 2 293.371 -0.585 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCC[C@@H](C)[NH2+][C@H](C)C(N)=O ZINC001377091665 897927789 /nfs/dbraw/zinc/92/77/89/897927789.db2.gz ARVRGGKSLTZMHP-PSASIEDQSA-N 2 2 281.360 -0.381 20 0 CBADLP CN(C)C(=O)C[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001377129366 897937347 /nfs/dbraw/zinc/93/73/47/897937347.db2.gz KHMVFRZZTJONTF-NSHDSACASA-N 2 2 270.377 -0.783 20 0 CBADLP CN(C)C(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001377129366 897937355 /nfs/dbraw/zinc/93/73/55/897937355.db2.gz KHMVFRZZTJONTF-NSHDSACASA-N 2 2 270.377 -0.783 20 0 CBADLP CN(C)C(=O)C[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001377129366 897937381 /nfs/dbraw/zinc/93/73/81/897937381.db2.gz KHMVFRZZTJONTF-NSHDSACASA-N 2 2 270.377 -0.783 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)N1CCC[C@](CO)([NH2+]CCO)C1 ZINC001377165902 897954531 /nfs/dbraw/zinc/95/45/31/897954531.db2.gz UONIBNMPZGNSIE-AWEZNQCLSA-N 2 2 296.371 -0.722 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)N1CCC[C@](CO)([NH2+]CCO)C1 ZINC001377165902 897954544 /nfs/dbraw/zinc/95/45/44/897954544.db2.gz UONIBNMPZGNSIE-AWEZNQCLSA-N 2 2 296.371 -0.722 20 0 CBADLP C[N@H+](CCNC(=O)CCn1cc[nH+]c1)[C@H]1CCCNC1=O ZINC001377197930 897965943 /nfs/dbraw/zinc/96/59/43/897965943.db2.gz LXPXUFDGHYTCFK-LBPRGKRZSA-N 2 2 293.371 -0.400 20 0 CBADLP C[N@@H+](CCNC(=O)CCn1cc[nH+]c1)[C@H]1CCCNC1=O ZINC001377197930 897965950 /nfs/dbraw/zinc/96/59/50/897965950.db2.gz LXPXUFDGHYTCFK-LBPRGKRZSA-N 2 2 293.371 -0.400 20 0 CBADLP CCN(CC)C(=O)C[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001377259533 897990211 /nfs/dbraw/zinc/99/02/11/897990211.db2.gz CKRZOHPWCXWQSF-CYBMUJFWSA-N 2 2 298.431 -0.146 20 0 CBADLP CCN(CC)C(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001377259533 897990217 /nfs/dbraw/zinc/99/02/17/897990217.db2.gz CKRZOHPWCXWQSF-CYBMUJFWSA-N 2 2 298.431 -0.146 20 0 CBADLP CCN(CC)C(=O)C[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001377259533 897990222 /nfs/dbraw/zinc/99/02/22/897990222.db2.gz CKRZOHPWCXWQSF-CYBMUJFWSA-N 2 2 298.431 -0.146 20 0 CBADLP CCN(CC)C(=O)C[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001377259533 897990230 /nfs/dbraw/zinc/99/02/30/897990230.db2.gz CKRZOHPWCXWQSF-CYBMUJFWSA-N 2 2 298.431 -0.146 20 0 CBADLP O=C(C[NH+]1CCCC1)NC[C@H]1CCC[N@@H+]1[C@H]1CCNC1=O ZINC001377429488 898044099 /nfs/dbraw/zinc/04/40/99/898044099.db2.gz UQWHGGMQYHFJAX-OLZOCXBDSA-N 2 2 294.399 -0.449 20 0 CBADLP O=C(C[NH+]1CCCC1)NC[C@H]1CCC[N@H+]1[C@H]1CCNC1=O ZINC001377429488 898044108 /nfs/dbraw/zinc/04/41/08/898044108.db2.gz UQWHGGMQYHFJAX-OLZOCXBDSA-N 2 2 294.399 -0.449 20 0 CBADLP CC[C@H]([NH2+][C@@H](C)CCNC(=O)Cn1cc[nH+]c1)C(N)=O ZINC001377537032 898081291 /nfs/dbraw/zinc/08/12/91/898081291.db2.gz WLAZEHFTDZXNCO-QWRGUYRKSA-N 2 2 281.360 -0.369 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC1(CO)CC[NH+](CCCO)CC1 ZINC001377575672 898088458 /nfs/dbraw/zinc/08/84/58/898088458.db2.gz TYMWJSPFMNEZEQ-UHFFFAOYSA-N 2 2 296.371 -0.722 20 0 CBADLP CC[C@H](C(=O)N[C@@H]1CCC[N@@H+]([C@@H]2CCNC2=O)C1)[NH+](C)C ZINC001377824487 898143182 /nfs/dbraw/zinc/14/31/82/898143182.db2.gz IJZGPCOITTZHIN-JHJVBQTASA-N 2 2 296.415 -0.204 20 0 CBADLP CC[C@H](C(=O)N[C@@H]1CCC[N@H+]([C@@H]2CCNC2=O)C1)[NH+](C)C ZINC001377824487 898143192 /nfs/dbraw/zinc/14/31/92/898143192.db2.gz IJZGPCOITTZHIN-JHJVBQTASA-N 2 2 296.415 -0.204 20 0 CBADLP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)[NH2+]Cc1nncn1C ZINC001377912560 898168443 /nfs/dbraw/zinc/16/84/43/898168443.db2.gz WSQCNTPUASJORC-WDEREUQCSA-N 2 2 291.359 -0.305 20 0 CBADLP COC[C@@H](O)C[NH+]1CC(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001377927632 898172234 /nfs/dbraw/zinc/17/22/34/898172234.db2.gz VXFZFKNXOZVVCL-OBJOEFQTSA-N 2 2 299.415 -0.476 20 0 CBADLP COC[C@@H](O)C[NH+]1CC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001377927632 898172243 /nfs/dbraw/zinc/17/22/43/898172243.db2.gz VXFZFKNXOZVVCL-OBJOEFQTSA-N 2 2 299.415 -0.476 20 0 CBADLP C[N@H+](CC(=O)NCC1C[NH+]([C@H]2CCNC2=O)C1)C1CCC1 ZINC001377978325 898185239 /nfs/dbraw/zinc/18/52/39/898185239.db2.gz ZYOFEFRGMJOPMY-ZDUSSCGKSA-N 2 2 294.399 -0.593 20 0 CBADLP C[N@@H+](CC(=O)NCC1C[NH+]([C@H]2CCNC2=O)C1)C1CCC1 ZINC001377978325 898185249 /nfs/dbraw/zinc/18/52/49/898185249.db2.gz ZYOFEFRGMJOPMY-ZDUSSCGKSA-N 2 2 294.399 -0.593 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CC(CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001377994974 898192797 /nfs/dbraw/zinc/19/27/97/898192797.db2.gz HHTRUAIXUJVLFB-WDEREUQCSA-N 2 2 282.388 -0.750 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CC(CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001377994974 898192802 /nfs/dbraw/zinc/19/28/02/898192802.db2.gz HHTRUAIXUJVLFB-WDEREUQCSA-N 2 2 282.388 -0.750 20 0 CBADLP CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001378079961 898228166 /nfs/dbraw/zinc/22/81/66/898228166.db2.gz KYPUGNQMFOBJRQ-LBPRGKRZSA-N 2 2 294.399 -0.591 20 0 CBADLP CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001378079961 898228184 /nfs/dbraw/zinc/22/81/84/898228184.db2.gz KYPUGNQMFOBJRQ-LBPRGKRZSA-N 2 2 294.399 -0.591 20 0 CBADLP CC[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH2+]CC(N)=O ZINC001378306714 898309802 /nfs/dbraw/zinc/30/98/02/898309802.db2.gz XRURBAOWQZSVLK-GMTAPVOTSA-N 2 2 293.371 -0.507 20 0 CBADLP CC[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+][C@@H](CC)C(N)=O ZINC001378345847 898320174 /nfs/dbraw/zinc/32/01/74/898320174.db2.gz PSYXPOWXWAFKLX-QWRGUYRKSA-N 2 2 281.360 -0.369 20 0 CBADLP C[C@@H](O)C[NH2+]C[C@H]1CCCN1C(=O)Cc1c[nH+]cn1C ZINC001378512405 898339521 /nfs/dbraw/zinc/33/95/21/898339521.db2.gz NGUPRJONGPOEEY-VXGBXAGGSA-N 2 2 280.372 -0.076 20 0 CBADLP C[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1C[NH+](CC(N)=O)C1 ZINC001378588981 898359205 /nfs/dbraw/zinc/35/92/05/898359205.db2.gz VVTIBDSYZNACSK-GHMZBOCLSA-N 2 2 282.388 -0.750 20 0 CBADLP C[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C1C[NH+](CC(N)=O)C1 ZINC001378588981 898359219 /nfs/dbraw/zinc/35/92/19/898359219.db2.gz VVTIBDSYZNACSK-GHMZBOCLSA-N 2 2 282.388 -0.750 20 0 CBADLP COC[C@H](O)C[NH+]1CC([C@H](C)NC(=O)Cn2cc[nH+]c2)C1 ZINC001378597265 898362320 /nfs/dbraw/zinc/36/23/20/898362320.db2.gz VDXQSNKBDSHEPI-WCQYABFASA-N 2 2 296.371 -0.673 20 0 CBADLP COC[C@@H](O)C[NH+]1CC([C@H](C)NC(=O)Cn2cc[nH+]c2)C1 ZINC001378596718 898364106 /nfs/dbraw/zinc/36/41/06/898364106.db2.gz VDXQSNKBDSHEPI-AAEUAGOBSA-N 2 2 296.371 -0.673 20 0 CBADLP CCC[N@H+](C)CC(=O)N[C@H]1C[NH+](CC(N)=O)CC1(C)C ZINC001378670554 898387642 /nfs/dbraw/zinc/38/76/42/898387642.db2.gz ZJBRVTWAPVXZQY-NSHDSACASA-N 2 2 284.404 -0.360 20 0 CBADLP CCC[N@@H+](C)CC(=O)N[C@H]1C[NH+](CC(N)=O)CC1(C)C ZINC001378670554 898387658 /nfs/dbraw/zinc/38/76/58/898387658.db2.gz ZJBRVTWAPVXZQY-NSHDSACASA-N 2 2 284.404 -0.360 20 0 CBADLP CCC[NH+](C)CC(=O)N[C@H]1C[N@H+](CC(N)=O)CC1(C)C ZINC001378670554 898387669 /nfs/dbraw/zinc/38/76/69/898387669.db2.gz ZJBRVTWAPVXZQY-NSHDSACASA-N 2 2 284.404 -0.360 20 0 CBADLP CCC[NH+](C)CC(=O)N[C@H]1C[N@@H+](CC(N)=O)CC1(C)C ZINC001378670554 898387682 /nfs/dbraw/zinc/38/76/82/898387682.db2.gz ZJBRVTWAPVXZQY-NSHDSACASA-N 2 2 284.404 -0.360 20 0 CBADLP C[C@@H](C[NH2+]CC(N)=O)N(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001378847998 898422195 /nfs/dbraw/zinc/42/21/95/898422195.db2.gz VOXCMACXHCQDIP-VIFPVBQESA-N 2 2 281.360 -0.391 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@@H](C)C[NH2+][C@H]1CCNC1=O ZINC001378853474 898423122 /nfs/dbraw/zinc/42/31/22/898423122.db2.gz ZLMLEBQCPJLMPB-ONGXEEELSA-N 2 2 293.371 -0.414 20 0 CBADLP CNC(=O)C[NH2+][C@@H](CNC(=O)CCn1cc[nH+]c1)C(C)C ZINC001378974147 898437374 /nfs/dbraw/zinc/43/73/74/898437374.db2.gz XZMDKQUZYCBPMT-LBPRGKRZSA-N 2 2 295.387 -0.250 20 0 CBADLP CCNC(=O)C[N@H+](C)CCN(C)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001379095828 898466472 /nfs/dbraw/zinc/46/64/72/898466472.db2.gz GNJPGIZYHWRFJV-ZDUSSCGKSA-N 2 2 298.431 -0.146 20 0 CBADLP CCNC(=O)C[N@@H+](C)CCN(C)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001379095828 898466479 /nfs/dbraw/zinc/46/64/79/898466479.db2.gz GNJPGIZYHWRFJV-ZDUSSCGKSA-N 2 2 298.431 -0.146 20 0 CBADLP CCNC(=O)C[NH+](C)CCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001379095828 898466484 /nfs/dbraw/zinc/46/64/84/898466484.db2.gz GNJPGIZYHWRFJV-ZDUSSCGKSA-N 2 2 298.431 -0.146 20 0 CBADLP CCNC(=O)C[NH+](C)CCN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001379095828 898466490 /nfs/dbraw/zinc/46/64/90/898466490.db2.gz GNJPGIZYHWRFJV-ZDUSSCGKSA-N 2 2 298.431 -0.146 20 0 CBADLP CN(CC[N@H+](C)[C@H]1CCCNC1=O)C(=O)Cn1cc[nH+]c1 ZINC001379142938 898473957 /nfs/dbraw/zinc/47/39/57/898473957.db2.gz GJDHFSJRNIBUOD-LBPRGKRZSA-N 2 2 293.371 -0.448 20 0 CBADLP CN(CC[N@@H+](C)[C@H]1CCCNC1=O)C(=O)Cn1cc[nH+]c1 ZINC001379142938 898473964 /nfs/dbraw/zinc/47/39/64/898473964.db2.gz GJDHFSJRNIBUOD-LBPRGKRZSA-N 2 2 293.371 -0.448 20 0 CBADLP C[C@@H](CN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1)[NH2+]CCO ZINC001379158497 898480656 /nfs/dbraw/zinc/48/06/56/898480656.db2.gz ZWKOPQYOYQPEFV-RYUDHWBXSA-N 2 2 280.372 -0.126 20 0 CBADLP CC[N@H+](C)CCC(=O)N[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001454794232 914260554 /nfs/dbraw/zinc/26/05/54/914260554.db2.gz WDZXWCLKAYHWDY-LLVKDONJSA-N 2 2 295.387 -0.085 20 0 CBADLP CC[N@@H+](C)CCC(=O)N[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001454794232 914260568 /nfs/dbraw/zinc/26/05/68/914260568.db2.gz WDZXWCLKAYHWDY-LLVKDONJSA-N 2 2 295.387 -0.085 20 0 CBADLP C[C@H](CN(C)C(=O)Cc1c[nH+]cn1C)[NH2+][C@H](C)C(N)=O ZINC001379278304 898537946 /nfs/dbraw/zinc/53/79/46/898537946.db2.gz PCSDLRFUTTVSMJ-NXEZZACHSA-N 2 2 281.360 -0.727 20 0 CBADLP CCN(CC[NH2+][C@@H]1CCCNC1=O)C(=O)Cn1cc[nH+]c1 ZINC001379318931 898547004 /nfs/dbraw/zinc/54/70/04/898547004.db2.gz GYUMJAWMXXIKKU-GFCCVEGCSA-N 2 2 293.371 -0.400 20 0 CBADLP CCN(CC[NH2+][C@@H]1CCN(C)C1=O)C(=O)Cn1cc[nH+]c1 ZINC001379324936 898550731 /nfs/dbraw/zinc/55/07/31/898550731.db2.gz UXUMTPSMDFZNFC-GFCCVEGCSA-N 2 2 293.371 -0.448 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]Cc1ccon1 ZINC001379373966 898588336 /nfs/dbraw/zinc/58/83/36/898588336.db2.gz QSDLCJIZLAFGBO-VXGBXAGGSA-N 2 2 282.344 -0.665 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]Cc1ccon1 ZINC001379373966 898588347 /nfs/dbraw/zinc/58/83/47/898588347.db2.gz QSDLCJIZLAFGBO-VXGBXAGGSA-N 2 2 282.344 -0.665 20 0 CBADLP O=C(NC[C@@H](CO)[NH2+]CC1CC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001379433368 898614629 /nfs/dbraw/zinc/61/46/29/898614629.db2.gz KJPKLMCADVBRRU-OLZOCXBDSA-N 2 2 292.383 -0.078 20 0 CBADLP Cc1cnc(C[NH2+][C@@H](CO)CNC(=O)CC[NH+](C)C)nc1 ZINC001379465224 898624092 /nfs/dbraw/zinc/62/40/92/898624092.db2.gz DBDYNFRXCWMQDC-GFCCVEGCSA-N 2 2 295.387 -0.697 20 0 CBADLP CC[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc1nnc(C)[nH]1)[NH+](C)C ZINC001379477609 898631805 /nfs/dbraw/zinc/63/18/05/898631805.db2.gz LCBIRLSNQOZFBR-MNOVXSKESA-N 2 2 298.391 -0.980 20 0 CBADLP CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001379520743 898654997 /nfs/dbraw/zinc/65/49/97/898654997.db2.gz WWKHJDDTEAFZLE-HBNTYKKESA-N 2 2 293.371 -0.256 20 0 CBADLP C[C@H]1[C@H](NC(=O)C2(C[NH+](C)C)CC2)CCC[N@@H+]1CC(N)=O ZINC001379668145 898698726 /nfs/dbraw/zinc/69/87/26/898698726.db2.gz RZQVNFJBMVIDHR-NWDGAFQWSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@H]1[C@H](NC(=O)C2(C[NH+](C)C)CC2)CCC[N@H+]1CC(N)=O ZINC001379668145 898698728 /nfs/dbraw/zinc/69/87/28/898698728.db2.gz RZQVNFJBMVIDHR-NWDGAFQWSA-N 2 2 296.415 -0.217 20 0 CBADLP CNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[NH+]1C ZINC001379700834 898703727 /nfs/dbraw/zinc/70/37/27/898703727.db2.gz RSULSRUDQZMSMX-VXGBXAGGSA-N 2 2 284.404 -0.347 20 0 CBADLP CNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[NH+]1C ZINC001379700834 898703739 /nfs/dbraw/zinc/70/37/39/898703739.db2.gz RSULSRUDQZMSMX-VXGBXAGGSA-N 2 2 284.404 -0.347 20 0 CBADLP CNC(=O)C[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001379700834 898703752 /nfs/dbraw/zinc/70/37/52/898703752.db2.gz RSULSRUDQZMSMX-VXGBXAGGSA-N 2 2 284.404 -0.347 20 0 CBADLP CNC(=O)C[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001379700834 898703761 /nfs/dbraw/zinc/70/37/61/898703761.db2.gz RSULSRUDQZMSMX-VXGBXAGGSA-N 2 2 284.404 -0.347 20 0 CBADLP CNC(=O)C[NH2+][C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC1(C)C ZINC001379732475 898710515 /nfs/dbraw/zinc/71/05/15/898710515.db2.gz PBRPJDKMLNWBNE-JTQLQIEISA-N 2 2 293.371 -0.475 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H](C[NH2+][C@@H]1CCNC1=O)C1CC1 ZINC001379904402 898753880 /nfs/dbraw/zinc/75/38/80/898753880.db2.gz MSNQSHROUUEGGB-NEPJUHHUSA-N 2 2 291.355 -0.675 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@H](C[NH2+][C@H]1CCNC1=O)C1CC1 ZINC001379917416 898757293 /nfs/dbraw/zinc/75/72/93/898757293.db2.gz MILWEHWXJRCXQL-NWDGAFQWSA-N 2 2 291.355 -0.744 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001380020430 898785356 /nfs/dbraw/zinc/78/53/56/898785356.db2.gz VAARYWAAGWSYMW-QWRGUYRKSA-N 2 2 270.377 -0.608 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001380020430 898785362 /nfs/dbraw/zinc/78/53/62/898785362.db2.gz VAARYWAAGWSYMW-QWRGUYRKSA-N 2 2 270.377 -0.608 20 0 CBADLP CNC(=O)C[NH2+]C1(CNC(=O)CCc2[nH+]ccn2C)CC1 ZINC001380116088 898815823 /nfs/dbraw/zinc/81/58/23/898815823.db2.gz SGZYRSKCZALGJE-UHFFFAOYSA-N 2 2 293.371 -0.663 20 0 CBADLP CNC(=O)C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@@H](C)C1 ZINC001380272146 898845452 /nfs/dbraw/zinc/84/54/52/898845452.db2.gz STOKVUQDXNUNTJ-RYUDHWBXSA-N 2 2 293.371 -0.402 20 0 CBADLP NC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001380267745 898848300 /nfs/dbraw/zinc/84/83/00/898848300.db2.gz FKMCHGUSAFOWRO-HBNTYKKESA-N 2 2 291.355 -0.421 20 0 CBADLP CN(C)C(=O)C[N@@H+]1CC[C@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001380374554 898871335 /nfs/dbraw/zinc/87/13/35/898871335.db2.gz HQHAFJGJYVJVNN-HNNXBMFYSA-N 2 2 296.415 -0.249 20 0 CBADLP CN(C)C(=O)C[N@H+]1CC[C@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001380374554 898871346 /nfs/dbraw/zinc/87/13/46/898871346.db2.gz HQHAFJGJYVJVNN-HNNXBMFYSA-N 2 2 296.415 -0.249 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001380375834 898871760 /nfs/dbraw/zinc/87/17/60/898871760.db2.gz KUMORNIXKGKQEC-FZMZJTMJSA-N 2 2 282.388 -0.463 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CC[C@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001380375834 898871769 /nfs/dbraw/zinc/87/17/69/898871769.db2.gz KUMORNIXKGKQEC-FZMZJTMJSA-N 2 2 282.388 -0.463 20 0 CBADLP COC[C@@H](C)[NH+]1CC(O)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001380605291 898918845 /nfs/dbraw/zinc/91/88/45/898918845.db2.gz JGPXDPYORUJTMG-GFCCVEGCSA-N 2 2 296.371 -0.611 20 0 CBADLP CC[C@@H](C(=O)NCC1(O)C[NH+](C[C@H](C)OC)C1)[NH+](C)C ZINC001380612068 898923297 /nfs/dbraw/zinc/92/32/97/898923297.db2.gz GDBOIQHTSSQFIN-RYUDHWBXSA-N 2 2 287.404 -0.476 20 0 CBADLP CNC(=O)C[NH2+][C@H](C)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001380688611 898934922 /nfs/dbraw/zinc/93/49/22/898934922.db2.gz XRECVAJWBSWHEY-MNOVXSKESA-N 2 2 293.371 -0.475 20 0 CBADLP C[C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C[NH2+]CC(N)=O ZINC001380679663 898935287 /nfs/dbraw/zinc/93/52/87/898935287.db2.gz FDMHTBBJRSNJFC-NWDGAFQWSA-N 2 2 293.371 -0.557 20 0 CBADLP CC[N@H+](C)CCC(=O)NC[C@@H]1COCC[NH+]1CCCO ZINC001380823381 898955965 /nfs/dbraw/zinc/95/59/65/898955965.db2.gz OGIPJCINLLIXSU-CYBMUJFWSA-N 2 2 287.404 -0.472 20 0 CBADLP CC[N@@H+](C)CCC(=O)NC[C@@H]1COCC[NH+]1CCCO ZINC001380823381 898955979 /nfs/dbraw/zinc/95/59/79/898955979.db2.gz OGIPJCINLLIXSU-CYBMUJFWSA-N 2 2 287.404 -0.472 20 0 CBADLP CC[NH+](C)CCC(=O)NC[C@@H]1COCC[N@@H+]1CCCO ZINC001380823381 898955989 /nfs/dbraw/zinc/95/59/89/898955989.db2.gz OGIPJCINLLIXSU-CYBMUJFWSA-N 2 2 287.404 -0.472 20 0 CBADLP CC[NH+](C)CCC(=O)NC[C@@H]1COCC[N@H+]1CCCO ZINC001380823381 898956001 /nfs/dbraw/zinc/95/60/01/898956001.db2.gz OGIPJCINLLIXSU-CYBMUJFWSA-N 2 2 287.404 -0.472 20 0 CBADLP CO[C@@H](C)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001380919232 898969133 /nfs/dbraw/zinc/96/91/33/898969133.db2.gz SOFQNZHOWOPXGP-WCQYABFASA-N 2 2 296.371 -0.196 20 0 CBADLP CC[C@@H](C(=O)NC[C@@H]1CCC2(C[NH+](CCO)C2)O1)[NH+](C)C ZINC001380998817 898986361 /nfs/dbraw/zinc/98/63/61/898986361.db2.gz LPKHIKJCPQODIP-STQMWFEESA-N 2 2 299.415 -0.332 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@](CO)([NH2+]CCO)C1 ZINC001381057057 898992296 /nfs/dbraw/zinc/99/22/96/898992296.db2.gz YHLWFXASAIGHGS-CQSZACIVSA-N 2 2 296.371 -0.804 20 0 CBADLP C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1[NH2+]CC(=O)N(C)C ZINC001381108779 898998954 /nfs/dbraw/zinc/99/89/54/898998954.db2.gz CZQCYJRZJIJWPG-QWRGUYRKSA-N 2 2 293.371 -0.523 20 0 CBADLP C[C@@H](CCNC(=O)[C@H]1CCc2[nH+]ccn2C1)[NH2+]CCO ZINC001381205565 899012784 /nfs/dbraw/zinc/01/27/84/899012784.db2.gz RFKNMPBWGSHJCN-RYUDHWBXSA-N 2 2 280.372 -0.078 20 0 CBADLP C[C@@H](CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1)[NH2+]CCO ZINC001381205564 899013102 /nfs/dbraw/zinc/01/31/02/899013102.db2.gz RFKNMPBWGSHJCN-NWDGAFQWSA-N 2 2 280.372 -0.078 20 0 CBADLP C[C@@H](CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1)[NH2+]CC(N)=O ZINC001381206347 899013190 /nfs/dbraw/zinc/01/31/90/899013190.db2.gz YWOFYSWIAJSAMC-WDEREUQCSA-N 2 2 293.371 -0.585 20 0 CBADLP CC[C@@H](C(=O)NC1(CCO)C[NH+](CCCO)C1)[NH+](C)C ZINC001381676765 899105540 /nfs/dbraw/zinc/10/55/40/899105540.db2.gz DRPWVDHHCWPISD-LBPRGKRZSA-N 2 2 287.404 -0.738 20 0 CBADLP CC(C)[C@@H](CCN(C)C(=O)Cn1cc[nH+]c1)[NH2+]CC(N)=O ZINC001381714568 899109163 /nfs/dbraw/zinc/10/91/63/899109163.db2.gz HWOLZPRVCBUSFX-GFCCVEGCSA-N 2 2 295.387 -0.169 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@H](C)C1C[NH+](CC(N)=O)C1 ZINC001381789359 899113354 /nfs/dbraw/zinc/11/33/54/899113354.db2.gz PJFLJEAVYMXGFJ-SNVBAGLBSA-N 2 2 279.344 -0.887 20 0 CBADLP CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001381811309 899116656 /nfs/dbraw/zinc/11/66/56/899116656.db2.gz LUOWGPHRFNIRIY-WCQYABFASA-N 2 2 298.431 -0.101 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(N)=O)CC1(C)C ZINC001381865818 899123088 /nfs/dbraw/zinc/12/30/88/899123088.db2.gz NFMLSVSCYADNGE-LLVKDONJSA-N 2 2 284.404 -0.362 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(N)=O)CC1(C)C ZINC001381865818 899123092 /nfs/dbraw/zinc/12/30/92/899123092.db2.gz NFMLSVSCYADNGE-LLVKDONJSA-N 2 2 284.404 -0.362 20 0 CBADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC(N)=O)CC1(C)C ZINC001381865818 899123097 /nfs/dbraw/zinc/12/30/97/899123097.db2.gz NFMLSVSCYADNGE-LLVKDONJSA-N 2 2 284.404 -0.362 20 0 CBADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(N)=O)CC1(C)C ZINC001381865818 899123104 /nfs/dbraw/zinc/12/31/04/899123104.db2.gz NFMLSVSCYADNGE-LLVKDONJSA-N 2 2 284.404 -0.362 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N[C@H]1C[NH+](CC(N)=O)CC1(C)C ZINC001381865825 899123182 /nfs/dbraw/zinc/12/31/82/899123182.db2.gz NFMLSVSCYADNGE-NSHDSACASA-N 2 2 284.404 -0.362 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[NH+](CC(N)=O)CC1(C)C ZINC001381865825 899123190 /nfs/dbraw/zinc/12/31/90/899123190.db2.gz NFMLSVSCYADNGE-NSHDSACASA-N 2 2 284.404 -0.362 20 0 CBADLP CC(C)[NH+](C)CC(=O)N[C@H]1C[N@H+](CC(N)=O)CC1(C)C ZINC001381865825 899123193 /nfs/dbraw/zinc/12/31/93/899123193.db2.gz NFMLSVSCYADNGE-NSHDSACASA-N 2 2 284.404 -0.362 20 0 CBADLP CC(C)[NH+](C)CC(=O)N[C@H]1C[N@@H+](CC(N)=O)CC1(C)C ZINC001381865825 899123200 /nfs/dbraw/zinc/12/32/00/899123200.db2.gz NFMLSVSCYADNGE-NSHDSACASA-N 2 2 284.404 -0.362 20 0 CBADLP COC[C@H](O)C[NH2+]C[C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001381961359 899135642 /nfs/dbraw/zinc/13/56/42/899135642.db2.gz ZHTYTUNLJGCVMI-IJLUTSLNSA-N 2 2 296.371 -0.556 20 0 CBADLP CN(C)C(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001381957398 899135699 /nfs/dbraw/zinc/13/56/99/899135699.db2.gz BSZFXUGMAPERAF-XYPYZODXSA-N 2 2 293.371 -0.475 20 0 CBADLP Cc1cn(C(C)(C)C(=O)N(C)C[C@@H](C)[NH2+]CC(N)=O)c[nH+]1 ZINC001382091693 899157819 /nfs/dbraw/zinc/15/78/19/899157819.db2.gz VTBPGZCOJMEYPO-SNVBAGLBSA-N 2 2 295.387 -0.152 20 0 CBADLP CC[C@H]([NH2+][C@H](C)CN(C)C(=O)Cc1c[nH+]cn1C)C(N)=O ZINC001382148143 899166602 /nfs/dbraw/zinc/16/66/02/899166602.db2.gz FNZMXTQGOWUKTM-PWSUYJOCSA-N 2 2 295.387 -0.337 20 0 CBADLP CC[C@@H]([NH2+][C@H](C)CN(C)C(=O)Cc1c[nH+]cn1C)C(N)=O ZINC001382148145 899168154 /nfs/dbraw/zinc/16/81/54/899168154.db2.gz FNZMXTQGOWUKTM-ZYHUDNBSSA-N 2 2 295.387 -0.337 20 0 CBADLP C[C@H](CN(C)C(=O)Cc1[nH]cc[nH+]1)NC(=O)CC[NH+](C)C ZINC001382178140 899176694 /nfs/dbraw/zinc/17/66/94/899176694.db2.gz CIUZXIQGILTHPE-LLVKDONJSA-N 2 2 295.387 -0.133 20 0 CBADLP C[C@@H](O)C[NH2+][C@@H](CO)CNC(=O)c1cccc2[nH+]ccn21 ZINC001382228166 899202371 /nfs/dbraw/zinc/20/23/71/899202371.db2.gz WZEPWQGMXMNTMH-GHMZBOCLSA-N 2 2 292.339 -0.605 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H](CO)[NH2+]C[C@@H]1CCCCO1 ZINC001382252787 899212191 /nfs/dbraw/zinc/21/21/91/899212191.db2.gz JNKAPUZCWZRDRC-RYUDHWBXSA-N 2 2 296.371 -0.412 20 0 CBADLP C[C@@H](F)CC[NH2+][C@@H](CO)CNC(=O)Cc1c[nH+]cn1C ZINC001382262747 899217696 /nfs/dbraw/zinc/21/76/96/899217696.db2.gz CMJSJYCNYKKETF-GHMZBOCLSA-N 2 2 286.351 -0.223 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC[C@@H](CO)[NH2+]C/C=C\Cl ZINC001382264348 899219100 /nfs/dbraw/zinc/21/91/00/899219100.db2.gz GTZMPRPFLCNOBJ-ZMWSMAPVSA-N 2 2 286.763 -0.218 20 0 CBADLP CO[C@H](C)C[NH2+][C@@H](CO)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001382280518 899232210 /nfs/dbraw/zinc/23/22/10/899232210.db2.gz VYFCNMWYZMUIDW-MWLCHTKSSA-N 2 2 284.360 -0.638 20 0 CBADLP CO[C@H](C)C[NH2+][C@H](CO)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001382280516 899234069 /nfs/dbraw/zinc/23/40/69/899234069.db2.gz VYFCNMWYZMUIDW-KOLCDFICSA-N 2 2 284.360 -0.638 20 0 CBADLP CCNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cn2cc[nH+]c2)C1 ZINC001382320127 899247970 /nfs/dbraw/zinc/24/79/70/899247970.db2.gz YEKOXSLVXWOYBA-VXGBXAGGSA-N 2 2 293.371 -0.402 20 0 CBADLP CC(C)N(CC[N@H+](C)CC(N)=O)C(=O)C1(C[NH+](C)C)CC1 ZINC001382493225 899315892 /nfs/dbraw/zinc/31/58/92/899315892.db2.gz AQNBMQVDFVSZMX-UHFFFAOYSA-N 2 2 298.431 -0.018 20 0 CBADLP CC(C)N(CC[N@@H+](C)CC(N)=O)C(=O)C1(C[NH+](C)C)CC1 ZINC001382493225 899315901 /nfs/dbraw/zinc/31/59/01/899315901.db2.gz AQNBMQVDFVSZMX-UHFFFAOYSA-N 2 2 298.431 -0.018 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@@H](O)C[N@@H+](C)C[C@@H](C)O ZINC001382485296 899318406 /nfs/dbraw/zinc/31/84/06/899318406.db2.gz VWTGSPQJGDUYAS-PWSUYJOCSA-N 2 2 298.387 -0.607 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@@H](O)C[N@H+](C)C[C@@H](C)O ZINC001382485296 899318413 /nfs/dbraw/zinc/31/84/13/899318413.db2.gz VWTGSPQJGDUYAS-PWSUYJOCSA-N 2 2 298.387 -0.607 20 0 CBADLP CC[C@H](C(=O)N[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1)[NH+](C)C ZINC001386445755 899664796 /nfs/dbraw/zinc/66/47/96/899664796.db2.gz TWFBOJVSXWGORE-GHMZBOCLSA-N 2 2 295.387 -0.087 20 0 CBADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001386911512 899730583 /nfs/dbraw/zinc/73/05/83/899730583.db2.gz YVOLKNSGMNSSPN-RYUDHWBXSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001386911512 899730597 /nfs/dbraw/zinc/73/05/97/899730597.db2.gz YVOLKNSGMNSSPN-RYUDHWBXSA-N 2 2 293.371 -0.402 20 0 CBADLP CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001388638756 899896511 /nfs/dbraw/zinc/89/65/11/899896511.db2.gz IGGMMMQUQUNKTG-QWHCGFSZSA-N 2 2 298.431 -0.005 20 0 CBADLP CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001388638756 899896520 /nfs/dbraw/zinc/89/65/20/899896520.db2.gz IGGMMMQUQUNKTG-QWHCGFSZSA-N 2 2 298.431 -0.005 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001389288524 899985394 /nfs/dbraw/zinc/98/53/94/899985394.db2.gz YYNRJPWHKJYHAM-GHMZBOCLSA-N 2 2 293.371 -0.475 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001389288524 899985401 /nfs/dbraw/zinc/98/54/01/899985401.db2.gz YYNRJPWHKJYHAM-GHMZBOCLSA-N 2 2 293.371 -0.475 20 0 CBADLP COC[C@H](O)C[N@@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001389490873 900027311 /nfs/dbraw/zinc/02/73/11/900027311.db2.gz VSXQJNSUNYFCPV-CHWSQXEVSA-N 2 2 296.371 -0.529 20 0 CBADLP COC[C@H](O)C[N@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001389490873 900027326 /nfs/dbraw/zinc/02/73/26/900027326.db2.gz VSXQJNSUNYFCPV-CHWSQXEVSA-N 2 2 296.371 -0.529 20 0 CBADLP CC[C@H]([NH2+][C@@H](CNC(=O)Cn1cc[nH+]c1)C1CC1)C(N)=O ZINC001389696261 900059569 /nfs/dbraw/zinc/05/95/69/900059569.db2.gz RSZQBZTVQLOLSK-RYUDHWBXSA-N 2 2 293.371 -0.369 20 0 CBADLP CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnn(C)n2)C1)[NH+](C)C ZINC001389880321 900088577 /nfs/dbraw/zinc/08/85/77/900088577.db2.gz YVGPRKVWBRCTAH-GMTAPVOTSA-N 2 2 295.391 -0.713 20 0 CBADLP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1)C(=O)N(C)C ZINC001390003653 900103183 /nfs/dbraw/zinc/10/31/83/900103183.db2.gz JLRYLNGDDPIDRI-MXWKQRLJSA-N 2 2 293.371 -0.334 20 0 CBADLP CC[C@@H](C(=O)NC[C@H]1CCCC[N@@H+]1CC(N)=O)[NH+](C)C ZINC001390138879 900118712 /nfs/dbraw/zinc/11/87/12/900118712.db2.gz JZHWQIDTJQMVDC-NEPJUHHUSA-N 2 2 284.404 -0.217 20 0 CBADLP CC[C@@H](C(=O)NC[C@H]1CCCC[N@H+]1CC(N)=O)[NH+](C)C ZINC001390138879 900118720 /nfs/dbraw/zinc/11/87/20/900118720.db2.gz JZHWQIDTJQMVDC-NEPJUHHUSA-N 2 2 284.404 -0.217 20 0 CBADLP C[C@H]([NH2+]C[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1)C(N)=O ZINC001390161734 900120144 /nfs/dbraw/zinc/12/01/44/900120144.db2.gz OSHXCAGFFKXEKB-QWRGUYRKSA-N 2 2 293.371 -0.203 20 0 CBADLP CNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001390165537 900121194 /nfs/dbraw/zinc/12/11/94/900121194.db2.gz WPCAFRFJSHUIEP-LLVKDONJSA-N 2 2 293.371 -0.331 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]Cc1ccn(C)n1 ZINC001390329830 900139408 /nfs/dbraw/zinc/13/94/08/900139408.db2.gz SGASMIHTDULOTN-AAEUAGOBSA-N 2 2 295.387 -0.655 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]Cc1ccn(C)n1 ZINC001390329830 900139416 /nfs/dbraw/zinc/13/94/16/900139416.db2.gz SGASMIHTDULOTN-AAEUAGOBSA-N 2 2 295.387 -0.655 20 0 CBADLP C[C@@H](CNC(=O)CCc1[nH+]ccn1C)[NH2+]CC(=O)N(C)C ZINC001390446875 900161798 /nfs/dbraw/zinc/16/17/98/900161798.db2.gz YUDLWPJHLONAOS-NSHDSACASA-N 2 2 295.387 -0.465 20 0 CBADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+][C@@H]1CCCN(C)C1=O ZINC001390542334 900187568 /nfs/dbraw/zinc/18/75/68/900187568.db2.gz KCONJDQPZGBCMM-VXGBXAGGSA-N 2 2 293.371 -0.402 20 0 CBADLP COC[C@@H](O)C[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001390593800 900193892 /nfs/dbraw/zinc/19/38/92/900193892.db2.gz HEDSAYQPDXFSMT-STQMWFEESA-N 2 2 296.371 -0.672 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](C[NH2+][C@H](C)C(N)=O)C1 ZINC001390605813 900196243 /nfs/dbraw/zinc/19/62/43/900196243.db2.gz MHYQVHYTTHDHND-MNOVXSKESA-N 2 2 293.371 -0.427 20 0 CBADLP C[NH+](C)Cc1cc(C(=O)NCC[N@H+](C)CCO)no1 ZINC001390783968 900246089 /nfs/dbraw/zinc/24/60/89/900246089.db2.gz OHNYSDJVBQICKY-UHFFFAOYSA-N 2 2 270.333 -0.610 20 0 CBADLP C[NH+](C)Cc1cc(C(=O)NCC[N@@H+](C)CCO)no1 ZINC001390783968 900246102 /nfs/dbraw/zinc/24/61/02/900246102.db2.gz OHNYSDJVBQICKY-UHFFFAOYSA-N 2 2 270.333 -0.610 20 0 CBADLP CC[N@H+](CCNC(=O)Cn1c[nH+]cc1C)[C@@H](C)C(=O)NC ZINC001390935707 900283420 /nfs/dbraw/zinc/28/34/20/900283420.db2.gz FQTPXYMURCTZFG-LBPRGKRZSA-N 2 2 295.387 -0.236 20 0 CBADLP CC[N@@H+](CCNC(=O)Cn1c[nH+]cc1C)[C@@H](C)C(=O)NC ZINC001390935707 900283433 /nfs/dbraw/zinc/28/34/33/900283433.db2.gz FQTPXYMURCTZFG-LBPRGKRZSA-N 2 2 295.387 -0.236 20 0 CBADLP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH+](CC(N)=O)C1CC1 ZINC001391194890 900333643 /nfs/dbraw/zinc/33/36/43/900333643.db2.gz BYHCDHKPRSBLPJ-ZDUSSCGKSA-N 2 2 296.415 -0.073 20 0 CBADLP CC[N@H+]1CCCC[C@H]1C(=O)NCC[NH+](CC(N)=O)C1CC1 ZINC001391194890 900333660 /nfs/dbraw/zinc/33/36/60/900333660.db2.gz BYHCDHKPRSBLPJ-ZDUSSCGKSA-N 2 2 296.415 -0.073 20 0 CBADLP CC[NH+]1CCCC[C@H]1C(=O)NCC[N@H+](CC(N)=O)C1CC1 ZINC001391194890 900333669 /nfs/dbraw/zinc/33/36/69/900333669.db2.gz BYHCDHKPRSBLPJ-ZDUSSCGKSA-N 2 2 296.415 -0.073 20 0 CBADLP CC[NH+]1CCCC[C@H]1C(=O)NCC[N@@H+](CC(N)=O)C1CC1 ZINC001391194890 900333685 /nfs/dbraw/zinc/33/36/85/900333685.db2.gz BYHCDHKPRSBLPJ-ZDUSSCGKSA-N 2 2 296.415 -0.073 20 0 CBADLP C[C@@H]([NH2+]CCN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C(N)=O ZINC001391211245 900337646 /nfs/dbraw/zinc/33/76/46/900337646.db2.gz HFLXOYWXKPBZJF-VHSXEESVSA-N 2 2 281.360 -0.490 20 0 CBADLP C[C@@H]([NH2+]CCN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C(N)=O ZINC001391211245 900337657 /nfs/dbraw/zinc/33/76/57/900337657.db2.gz HFLXOYWXKPBZJF-VHSXEESVSA-N 2 2 281.360 -0.490 20 0 CBADLP C[C@H](CC(=O)N(C)CC[NH2+][C@H]1CCNC1=O)n1cc[nH+]c1 ZINC001391214494 900340418 /nfs/dbraw/zinc/34/04/18/900340418.db2.gz OZJRJHIWWAFCSE-NEPJUHHUSA-N 2 2 293.371 -0.229 20 0 CBADLP Cn1nncc1C[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001391398507 900364754 /nfs/dbraw/zinc/36/47/54/900364754.db2.gz DOOXCTZOQNJXRZ-LBPRGKRZSA-N 2 2 294.403 -0.153 20 0 CBADLP Cn1nncc1C[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001391398507 900364764 /nfs/dbraw/zinc/36/47/64/900364764.db2.gz DOOXCTZOQNJXRZ-LBPRGKRZSA-N 2 2 294.403 -0.153 20 0 CBADLP CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001391387311 900366887 /nfs/dbraw/zinc/36/68/87/900366887.db2.gz KRGJSXSIODHZLR-LBPRGKRZSA-N 2 2 284.404 -0.345 20 0 CBADLP CNC(=O)C[N@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001391387311 900366893 /nfs/dbraw/zinc/36/68/93/900366893.db2.gz KRGJSXSIODHZLR-LBPRGKRZSA-N 2 2 284.404 -0.345 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)NC2C[NH+](C[C@H](O)COC)C2)CC[N@@H+]1C ZINC001391420056 900374175 /nfs/dbraw/zinc/37/41/75/900374175.db2.gz IKJSILYJEQIEFM-MELADBBJSA-N 2 2 299.415 -0.476 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)NC2C[NH+](C[C@H](O)COC)C2)CC[N@H+]1C ZINC001391420056 900374181 /nfs/dbraw/zinc/37/41/81/900374181.db2.gz IKJSILYJEQIEFM-MELADBBJSA-N 2 2 299.415 -0.476 20 0 CBADLP CC[C@H](C[NH+]1CC(NC(=O)CC[NH+]2CCOCC2)C1)OC ZINC001391451268 900381364 /nfs/dbraw/zinc/38/13/64/900381364.db2.gz IANQCIDEPDMCDF-CQSZACIVSA-N 2 2 299.415 -0.066 20 0 CBADLP CC(C)[C@@H](C(=O)NCC1C[NH+]([C@H]2CCNC2=O)C1)[NH+](C)C ZINC001391488600 900396176 /nfs/dbraw/zinc/39/61/76/900396176.db2.gz RIBVEWIDTTXLMN-STQMWFEESA-N 2 2 296.415 -0.491 20 0 CBADLP CCC[N@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[NH+]2[C@@H](C)C(N)=O ZINC001391535661 900402972 /nfs/dbraw/zinc/40/29/72/900402972.db2.gz FXGCAZQFCVUYQG-AVGNSLFASA-N 2 2 296.415 -0.123 20 0 CBADLP CCC[N@@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[NH+]2[C@@H](C)C(N)=O ZINC001391535661 900402981 /nfs/dbraw/zinc/40/29/81/900402981.db2.gz FXGCAZQFCVUYQG-AVGNSLFASA-N 2 2 296.415 -0.123 20 0 CBADLP CCC[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H](C)C(N)=O ZINC001391535661 900402990 /nfs/dbraw/zinc/40/29/90/900402990.db2.gz FXGCAZQFCVUYQG-AVGNSLFASA-N 2 2 296.415 -0.123 20 0 CBADLP CCC[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H](C)C(N)=O ZINC001391535661 900402998 /nfs/dbraw/zinc/40/29/98/900402998.db2.gz FXGCAZQFCVUYQG-AVGNSLFASA-N 2 2 296.415 -0.123 20 0 CBADLP CC[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@@H](CC)C(N)=O ZINC001391731319 900441756 /nfs/dbraw/zinc/44/17/56/900441756.db2.gz YXCZTJKKOIJVHW-ONGXEEELSA-N 2 2 281.360 -0.300 20 0 CBADLP C[C@](C[NH2+]CC(N)=O)(NC(=O)CCn1cc[nH+]c1)C1CC1 ZINC001391809645 900451691 /nfs/dbraw/zinc/45/16/91/900451691.db2.gz ZAPMYUZQEYKRQH-CQSZACIVSA-N 2 2 293.371 -0.367 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]C[C@@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001391894219 900461562 /nfs/dbraw/zinc/46/15/62/900461562.db2.gz OAYXDRKSTVTOAO-GHMZBOCLSA-N 2 2 295.387 -0.181 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]C[C@@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001391894219 900461569 /nfs/dbraw/zinc/46/15/69/900461569.db2.gz OAYXDRKSTVTOAO-GHMZBOCLSA-N 2 2 295.387 -0.181 20 0 CBADLP C[C@H](C[NH2+][C@@H](C)C(=O)N(C)C)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001392113992 900517018 /nfs/dbraw/zinc/51/70/18/900517018.db2.gz SEMJNBSCIMLTMF-MNOVXSKESA-N 2 2 295.387 -0.135 20 0 CBADLP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001392175178 900526309 /nfs/dbraw/zinc/52/63/09/900526309.db2.gz AUWIZGNEGWYTPT-GHMZBOCLSA-N 2 2 293.371 -0.475 20 0 CBADLP CNC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC001392175189 900526884 /nfs/dbraw/zinc/52/68/84/900526884.db2.gz AUWIZGNEGWYTPT-QWRGUYRKSA-N 2 2 293.371 -0.475 20 0 CBADLP CC(C)[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+][C@@H](C)C(N)=O ZINC001392237275 900536157 /nfs/dbraw/zinc/53/61/57/900536157.db2.gz XOLIPCKZJCUXIB-CMPLNLGQSA-N 2 2 295.387 -0.054 20 0 CBADLP CC(C)[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH2+][C@@H](C)C(N)=O ZINC001392237275 900536166 /nfs/dbraw/zinc/53/61/66/900536166.db2.gz XOLIPCKZJCUXIB-CMPLNLGQSA-N 2 2 295.387 -0.054 20 0 CBADLP CNC(=O)C[NH2+][C@H](CNC(=O)Cc1c[nH]c[nH+]1)C(C)C ZINC001392248815 900539454 /nfs/dbraw/zinc/53/94/54/900539454.db2.gz QWQLYPOENORZRF-LLVKDONJSA-N 2 2 281.360 -0.571 20 0 CBADLP CNC(=O)[C@H](C)[N@H+](C)CCN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001392286232 900555626 /nfs/dbraw/zinc/55/56/26/900555626.db2.gz ANVQLEGTCHVMLS-STQMWFEESA-N 2 2 298.431 -0.005 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+](C)CCN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001392286232 900555633 /nfs/dbraw/zinc/55/56/33/900555633.db2.gz ANVQLEGTCHVMLS-STQMWFEESA-N 2 2 298.431 -0.005 20 0 CBADLP CNC(=O)[C@H](C)[NH+](C)CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001392286232 900555644 /nfs/dbraw/zinc/55/56/44/900555644.db2.gz ANVQLEGTCHVMLS-STQMWFEESA-N 2 2 298.431 -0.005 20 0 CBADLP CNC(=O)[C@H](C)[NH+](C)CCN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001392286232 900555657 /nfs/dbraw/zinc/55/56/57/900555657.db2.gz ANVQLEGTCHVMLS-STQMWFEESA-N 2 2 298.431 -0.005 20 0 CBADLP CNC(=O)C[N@H+](C)CCN(C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001392338206 900566807 /nfs/dbraw/zinc/56/68/07/900566807.db2.gz SOIYQEIAKCEPSN-CHWSQXEVSA-N 2 2 298.431 -0.005 20 0 CBADLP CNC(=O)C[N@@H+](C)CCN(C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001392338206 900566812 /nfs/dbraw/zinc/56/68/12/900566812.db2.gz SOIYQEIAKCEPSN-CHWSQXEVSA-N 2 2 298.431 -0.005 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1nncs1 ZINC001392397712 900601689 /nfs/dbraw/zinc/60/16/89/900601689.db2.gz YWPXFFQMFHFFLP-VHSXEESVSA-N 2 2 299.400 -0.801 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1nncs1 ZINC001392397712 900601697 /nfs/dbraw/zinc/60/16/97/900601697.db2.gz YWPXFFQMFHFFLP-VHSXEESVSA-N 2 2 299.400 -0.801 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]Cc1nncs1 ZINC001392397710 900602327 /nfs/dbraw/zinc/60/23/27/900602327.db2.gz YWPXFFQMFHFFLP-NXEZZACHSA-N 2 2 299.400 -0.801 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]Cc1nncs1 ZINC001392397710 900602335 /nfs/dbraw/zinc/60/23/35/900602335.db2.gz YWPXFFQMFHFFLP-NXEZZACHSA-N 2 2 299.400 -0.801 20 0 CBADLP O=C(C[NH+]1CCCC1)NC[C@H](O)C[NH2+]Cc1ncccn1 ZINC001392419569 900611132 /nfs/dbraw/zinc/61/11/32/900611132.db2.gz DRNZTQVUOPHNJX-GFCCVEGCSA-N 2 2 293.371 -0.861 20 0 CBADLP Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)C[N@@H+](C)C(C)C)o1 ZINC001392427122 900614537 /nfs/dbraw/zinc/61/45/37/900614537.db2.gz LTLXNNBAECGQKL-NSHDSACASA-N 2 2 299.375 -0.715 20 0 CBADLP Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)C[N@H+](C)C(C)C)o1 ZINC001392427122 900614547 /nfs/dbraw/zinc/61/45/47/900614547.db2.gz LTLXNNBAECGQKL-NSHDSACASA-N 2 2 299.375 -0.715 20 0 CBADLP C[C@H](CNC(=O)CC[NH+](C)C)NC(=O)CCn1cc[nH+]c1 ZINC001392508561 900641681 /nfs/dbraw/zinc/64/16/81/900641681.db2.gz FFVQFIAYGVXXOA-GFCCVEGCSA-N 2 2 295.387 -0.154 20 0 CBADLP C[C@H](C[NH2+][C@H](C)C(=O)NC1CC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001392512973 900645303 /nfs/dbraw/zinc/64/53/03/900645303.db2.gz MGLPSNLFLKOEGR-NXEZZACHSA-N 2 2 293.371 -0.286 20 0 CBADLP COC[C@H](O)C[NH2+]C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001392589600 900671059 /nfs/dbraw/zinc/67/10/59/900671059.db2.gz AZHYFFBIPOTVPM-GXSJLCMTSA-N 2 2 270.333 -0.946 20 0 CBADLP C[C@@H](C[N@H+](C)[C@H]1CCNC1=O)NC(=O)Cn1cc[nH+]c1 ZINC001392728158 900714495 /nfs/dbraw/zinc/71/44/95/900714495.db2.gz WXHHVRRFRVTNKX-QWRGUYRKSA-N 2 2 279.344 -0.792 20 0 CBADLP C[C@@H](C[N@@H+](C)[C@H]1CCNC1=O)NC(=O)Cn1cc[nH+]c1 ZINC001392728158 900714498 /nfs/dbraw/zinc/71/44/98/900714498.db2.gz WXHHVRRFRVTNKX-QWRGUYRKSA-N 2 2 279.344 -0.792 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C[NH2+][C@H](C)C(N)=O)C1CC1 ZINC001392809859 900731605 /nfs/dbraw/zinc/73/16/05/900731605.db2.gz VYLDDPGLTUTXSJ-BXKDBHETSA-N 2 2 293.371 -0.381 20 0 CBADLP CCN(C)C(=O)C[N@@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001392852925 900742099 /nfs/dbraw/zinc/74/20/99/900742099.db2.gz JYDZBPXMTCXROD-GFCCVEGCSA-N 2 2 284.404 -0.393 20 0 CBADLP CCN(C)C(=O)C[N@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001392852925 900742112 /nfs/dbraw/zinc/74/21/12/900742112.db2.gz JYDZBPXMTCXROD-GFCCVEGCSA-N 2 2 284.404 -0.393 20 0 CBADLP C[C@@H](C(=O)NC1CC1)[N@@H+]1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001392857700 900742314 /nfs/dbraw/zinc/74/23/14/900742314.db2.gz WGJZQTSUXTTYFP-AAEUAGOBSA-N 2 2 296.415 -0.204 20 0 CBADLP C[C@@H](C(=O)NC1CC1)[N@H+]1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001392857700 900742329 /nfs/dbraw/zinc/74/23/29/900742329.db2.gz WGJZQTSUXTTYFP-AAEUAGOBSA-N 2 2 296.415 -0.204 20 0 CBADLP CC[N@H+](C)CCC(=O)NC[C@@H]1CC[NH+]1[C@@H]1CCNC1=O ZINC001392871221 900744073 /nfs/dbraw/zinc/74/40/73/900744073.db2.gz UPWPHOIQCZMQEJ-NWDGAFQWSA-N 2 2 282.388 -0.593 20 0 CBADLP CC[N@@H+](C)CCC(=O)NC[C@@H]1CC[NH+]1[C@@H]1CCNC1=O ZINC001392871221 900744085 /nfs/dbraw/zinc/74/40/85/900744085.db2.gz UPWPHOIQCZMQEJ-NWDGAFQWSA-N 2 2 282.388 -0.593 20 0 CBADLP CC[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+]1[C@@H]1CCNC1=O ZINC001392871221 900744096 /nfs/dbraw/zinc/74/40/96/900744096.db2.gz UPWPHOIQCZMQEJ-NWDGAFQWSA-N 2 2 282.388 -0.593 20 0 CBADLP CC[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+]1[C@@H]1CCNC1=O ZINC001392871221 900744109 /nfs/dbraw/zinc/74/41/09/900744109.db2.gz UPWPHOIQCZMQEJ-NWDGAFQWSA-N 2 2 282.388 -0.593 20 0 CBADLP CC[N@H+](C)CCC(=O)NC[C@H]1CC[NH+]1[C@@H]1CCN(C)C1=O ZINC001392873807 900748693 /nfs/dbraw/zinc/74/86/93/900748693.db2.gz YOMAGYXDQTVSTA-CHWSQXEVSA-N 2 2 296.415 -0.251 20 0 CBADLP CC[N@@H+](C)CCC(=O)NC[C@H]1CC[NH+]1[C@@H]1CCN(C)C1=O ZINC001392873807 900748703 /nfs/dbraw/zinc/74/87/03/900748703.db2.gz YOMAGYXDQTVSTA-CHWSQXEVSA-N 2 2 296.415 -0.251 20 0 CBADLP CC[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+]1[C@@H]1CCN(C)C1=O ZINC001392873807 900748710 /nfs/dbraw/zinc/74/87/10/900748710.db2.gz YOMAGYXDQTVSTA-CHWSQXEVSA-N 2 2 296.415 -0.251 20 0 CBADLP CC[NH+](C)CCC(=O)NC[C@H]1CC[N@H+]1[C@@H]1CCN(C)C1=O ZINC001392873807 900748717 /nfs/dbraw/zinc/74/87/17/900748717.db2.gz YOMAGYXDQTVSTA-CHWSQXEVSA-N 2 2 296.415 -0.251 20 0 CBADLP O=C(CCn1cc[nH+]c1)NC[C@]1(O)CC[N@@H+](CCCO)C1 ZINC001393261701 900820118 /nfs/dbraw/zinc/82/01/18/900820118.db2.gz KLLQZADRSPNGCS-CQSZACIVSA-N 2 2 296.371 -0.791 20 0 CBADLP O=C(CCn1cc[nH+]c1)NC[C@]1(O)CC[N@H+](CCCO)C1 ZINC001393261701 900820122 /nfs/dbraw/zinc/82/01/22/900820122.db2.gz KLLQZADRSPNGCS-CQSZACIVSA-N 2 2 296.371 -0.791 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)NCC1(O)C[NH+](C[C@H]2CCOC2)C1 ZINC001393304635 900834476 /nfs/dbraw/zinc/83/44/76/900834476.db2.gz QGEYYODKXZUDDN-CHWSQXEVSA-N 2 2 297.399 -0.720 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)NCC1(O)C[NH+](C[C@H]2CCOC2)C1 ZINC001393304635 900834490 /nfs/dbraw/zinc/83/44/90/900834490.db2.gz QGEYYODKXZUDDN-CHWSQXEVSA-N 2 2 297.399 -0.720 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)NCC1(O)C[NH+](C[C@H]2CCOC2)C1 ZINC001393304638 900835194 /nfs/dbraw/zinc/83/51/94/900835194.db2.gz QGEYYODKXZUDDN-OLZOCXBDSA-N 2 2 297.399 -0.720 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)NCC1(O)C[NH+](C[C@H]2CCOC2)C1 ZINC001393304638 900835198 /nfs/dbraw/zinc/83/51/98/900835198.db2.gz QGEYYODKXZUDDN-OLZOCXBDSA-N 2 2 297.399 -0.720 20 0 CBADLP CC[C@H](C[NH+]1CC(O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1)OC ZINC001393304374 900835933 /nfs/dbraw/zinc/83/59/33/900835933.db2.gz PEVMGOSYBRGAQV-CHWSQXEVSA-N 2 2 299.415 -0.332 20 0 CBADLP CC[C@H](C[NH+]1CC(O)(CNC(=O)[C@H]2CCC[N@H+]2C)C1)OC ZINC001393304374 900835946 /nfs/dbraw/zinc/83/59/46/900835946.db2.gz PEVMGOSYBRGAQV-CHWSQXEVSA-N 2 2 299.415 -0.332 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)NCC2(O)C[NH+](CC(C)C)C2)C1 ZINC001393361680 900845729 /nfs/dbraw/zinc/84/57/29/900845729.db2.gz UMSDIFAYOJPEHG-ZDUSSCGKSA-N 2 2 299.415 -0.474 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)NCC2(O)C[NH+](CC(C)C)C2)C1 ZINC001393361680 900845733 /nfs/dbraw/zinc/84/57/33/900845733.db2.gz UMSDIFAYOJPEHG-ZDUSSCGKSA-N 2 2 299.415 -0.474 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@@H](C)CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001393803981 900910149 /nfs/dbraw/zinc/91/01/49/900910149.db2.gz GXJREQWBISNVRP-QWRGUYRKSA-N 2 2 295.387 -0.039 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@@H](C)CCNC(=O)CCc1c[nH+]c[nH]1 ZINC001393803981 900910159 /nfs/dbraw/zinc/91/01/59/900910159.db2.gz GXJREQWBISNVRP-QWRGUYRKSA-N 2 2 295.387 -0.039 20 0 CBADLP C[N@@H+](CC(N)=O)C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC001393884516 900922548 /nfs/dbraw/zinc/92/25/48/900922548.db2.gz RKNNXSUSQKACTK-STQMWFEESA-N 2 2 296.415 -0.121 20 0 CBADLP C[N@H+](CC(N)=O)C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC001393884516 900922559 /nfs/dbraw/zinc/92/25/59/900922559.db2.gz RKNNXSUSQKACTK-STQMWFEESA-N 2 2 296.415 -0.121 20 0 CBADLP C[NH+](CC(N)=O)C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001393884516 900922577 /nfs/dbraw/zinc/92/25/77/900922577.db2.gz RKNNXSUSQKACTK-STQMWFEESA-N 2 2 296.415 -0.121 20 0 CBADLP C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)[C@@H](C)[NH2+]CC(=O)N1CCC1 ZINC001393972850 900942529 /nfs/dbraw/zinc/94/25/29/900942529.db2.gz DZAUIVPXASKOAF-GHMZBOCLSA-N 2 2 293.371 -0.333 20 0 CBADLP CNC(=O)C[NH2+]CC(C)(C)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001394026959 900952802 /nfs/dbraw/zinc/95/28/02/900952802.db2.gz CASCYSBRFHANBH-UHFFFAOYSA-N 2 2 295.387 -0.228 20 0 CBADLP CNC(=O)[C@H](C)[N@H+](C)[C@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001394091963 900971532 /nfs/dbraw/zinc/97/15/32/900971532.db2.gz KOXISSHMPJIQKF-PWSUYJOCSA-N 2 2 295.387 -0.237 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+](C)[C@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001394091963 900971544 /nfs/dbraw/zinc/97/15/44/900971544.db2.gz KOXISSHMPJIQKF-PWSUYJOCSA-N 2 2 295.387 -0.237 20 0 CBADLP C[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1)C(N)=O ZINC001394374714 901020876 /nfs/dbraw/zinc/02/08/76/901020876.db2.gz QKDLNSHLYMXLMB-OPRDCNLKSA-N 2 2 279.344 -0.690 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@H](C)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001394566938 901059671 /nfs/dbraw/zinc/05/96/71/901059671.db2.gz NTONSWZNIDOVEA-GHMZBOCLSA-N 2 2 281.360 -0.546 20 0 CBADLP O=C(NC[C@@H](CO)[NH2+]CC1CC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001394608201 901088203 /nfs/dbraw/zinc/08/82/03/901088203.db2.gz QIUCEHSCNRNQHY-OLZOCXBDSA-N 2 2 292.383 -0.078 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H](CO)[NH2+]CCC(F)(F)F ZINC001394646869 901106947 /nfs/dbraw/zinc/10/69/47/901106947.db2.gz QYXMJIRVFMOCOM-MRVPVSSYSA-N 2 2 294.277 -0.029 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H](CO)[NH2+]C/C=C/Cl ZINC001394646655 901107203 /nfs/dbraw/zinc/10/72/03/901107203.db2.gz QLYSIDBMNOMBOJ-VWCDRPFISA-N 2 2 272.736 -0.229 20 0 CBADLP C[C@@H]1C[C@@H]([NH2+]CC(=O)N(C)C)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001394666137 901115314 /nfs/dbraw/zinc/11/53/14/901115314.db2.gz FSTSXNFNOJLKSJ-GHMZBOCLSA-N 2 2 293.371 -0.381 20 0 CBADLP C[C@H]1C[C@@H]([NH2+]CC(=O)N(C)C)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001394666140 901117403 /nfs/dbraw/zinc/11/74/03/901117403.db2.gz FSTSXNFNOJLKSJ-WDEREUQCSA-N 2 2 293.371 -0.381 20 0 CBADLP CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001394747821 901139844 /nfs/dbraw/zinc/13/98/44/901139844.db2.gz ZCKCBEOVSUIJPE-RYUDHWBXSA-N 2 2 280.372 -0.126 20 0 CBADLP CNC(=O)C[N@H+](C)CCN(C(=O)[C@@H]1CC[NH+](C)C1)C(C)C ZINC001394803323 901157891 /nfs/dbraw/zinc/15/78/91/901157891.db2.gz FEHBAZJYIIGSFV-CYBMUJFWSA-N 2 2 298.431 -0.147 20 0 CBADLP CNC(=O)C[N@@H+](C)CCN(C(=O)[C@@H]1CC[NH+](C)C1)C(C)C ZINC001394803323 901157901 /nfs/dbraw/zinc/15/79/01/901157901.db2.gz FEHBAZJYIIGSFV-CYBMUJFWSA-N 2 2 298.431 -0.147 20 0 CBADLP CNC(=O)C[NH+](C)CCN(C(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001394803323 901157906 /nfs/dbraw/zinc/15/79/06/901157906.db2.gz FEHBAZJYIIGSFV-CYBMUJFWSA-N 2 2 298.431 -0.147 20 0 CBADLP CNC(=O)C[NH+](C)CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC001394803323 901157915 /nfs/dbraw/zinc/15/79/15/901157915.db2.gz FEHBAZJYIIGSFV-CYBMUJFWSA-N 2 2 298.431 -0.147 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]C1CC(N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001394856289 901166077 /nfs/dbraw/zinc/16/60/77/901166077.db2.gz FUODXNWTCVHMDO-UNXYVOJBSA-N 2 2 293.371 -0.403 20 0 CBADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001397663181 901445398 /nfs/dbraw/zinc/44/53/98/901445398.db2.gz ITQLGQSAKGIBGB-DCAQKATOSA-N 2 2 293.371 -0.442 20 0 CBADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001397663181 901445407 /nfs/dbraw/zinc/44/54/07/901445407.db2.gz ITQLGQSAKGIBGB-DCAQKATOSA-N 2 2 293.371 -0.442 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[NH+](CC(=O)N(C)C)C1 ZINC001398252977 901513679 /nfs/dbraw/zinc/51/36/79/901513679.db2.gz LFOTVMSGHBVJTC-ZDUSSCGKSA-N 2 2 298.431 -0.005 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N[C@H]1CCC[NH+](CC(=O)N(C)C)C1 ZINC001398252977 901513688 /nfs/dbraw/zinc/51/36/88/901513688.db2.gz LFOTVMSGHBVJTC-ZDUSSCGKSA-N 2 2 298.431 -0.005 20 0 CBADLP CC(C)[NH+](C)CC(=O)N[C@H]1CCC[N@H+](CC(=O)N(C)C)C1 ZINC001398252977 901513691 /nfs/dbraw/zinc/51/36/91/901513691.db2.gz LFOTVMSGHBVJTC-ZDUSSCGKSA-N 2 2 298.431 -0.005 20 0 CBADLP CC(C)[NH+](C)CC(=O)N[C@H]1CCC[N@@H+](CC(=O)N(C)C)C1 ZINC001398252977 901513701 /nfs/dbraw/zinc/51/37/01/901513701.db2.gz LFOTVMSGHBVJTC-ZDUSSCGKSA-N 2 2 298.431 -0.005 20 0 CBADLP CC[C@H](C(=O)N[C@H]1CC[N@H+](CC(=O)NC)C1)[NH+](C)C ZINC001398310295 901522852 /nfs/dbraw/zinc/52/28/52/901522852.db2.gz OHTKIGUGTSKPLO-WDEREUQCSA-N 2 2 270.377 -0.737 20 0 CBADLP CC[C@H](C(=O)N[C@H]1CC[N@@H+](CC(=O)NC)C1)[NH+](C)C ZINC001398310295 901522855 /nfs/dbraw/zinc/52/28/55/901522855.db2.gz OHTKIGUGTSKPLO-WDEREUQCSA-N 2 2 270.377 -0.737 20 0 CBADLP NC(=O)C[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001398342847 901524538 /nfs/dbraw/zinc/52/45/38/901524538.db2.gz OBPPDESJFRPHBP-LBPRGKRZSA-N 2 2 282.388 -0.462 20 0 CBADLP NC(=O)C[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001398342847 901524544 /nfs/dbraw/zinc/52/45/44/901524544.db2.gz OBPPDESJFRPHBP-LBPRGKRZSA-N 2 2 282.388 -0.462 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)NC[C@H]([NH2+]CC(N)=O)C1CC1 ZINC001398427489 901538735 /nfs/dbraw/zinc/53/87/35/901538735.db2.gz SFLXVYXQWRZVRU-NSHDSACASA-N 2 2 293.371 -0.678 20 0 CBADLP CC(C)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001398556255 901559503 /nfs/dbraw/zinc/55/95/03/901559503.db2.gz CFRXLARGBDCMEW-XYPYZODXSA-N 2 2 293.371 -0.286 20 0 CBADLP Cc1oncc1C[NH2+][C@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001398903481 901626602 /nfs/dbraw/zinc/62/66/02/901626602.db2.gz XNOUMTIDPZUIRY-ZWNOBZJWSA-N 2 2 296.371 -0.092 20 0 CBADLP Cc1oncc1C[NH2+][C@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001398903481 901626610 /nfs/dbraw/zinc/62/66/10/901626610.db2.gz XNOUMTIDPZUIRY-ZWNOBZJWSA-N 2 2 296.371 -0.092 20 0 CBADLP CNC(=O)C[NH2+][C@H](C)CNC(=O)CCCn1cc[nH+]c1 ZINC001399159301 901678073 /nfs/dbraw/zinc/67/80/73/901678073.db2.gz TUVYDHKXKCKDBJ-LLVKDONJSA-N 2 2 281.360 -0.496 20 0 CBADLP C[C@H](CCNC(=O)CCc1[nH+]ccn1C)[NH2+][C@H](C)C(N)=O ZINC001399364999 901706461 /nfs/dbraw/zinc/70/64/61/901706461.db2.gz BGFDFZBYRZNCSN-GHMZBOCLSA-N 2 2 295.387 -0.289 20 0 CBADLP C[C@H](CCNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@H]1CCCNC1=O ZINC001399394561 901708364 /nfs/dbraw/zinc/70/83/64/901708364.db2.gz HENVDRMOVRTZRN-MNOVXSKESA-N 2 2 293.371 -0.285 20 0 CBADLP C[C@@H](CCNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@@H]1CCN(C)C1=O ZINC001399395973 901708795 /nfs/dbraw/zinc/70/87/95/901708795.db2.gz IUNMSDNEXQFEFZ-CMPLNLGQSA-N 2 2 293.371 -0.333 20 0 CBADLP C[C@H](CCNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@H]1CCN(C)C1=O ZINC001399395986 901709586 /nfs/dbraw/zinc/70/95/86/901709586.db2.gz IUNMSDNEXQFEFZ-PWSUYJOCSA-N 2 2 293.371 -0.333 20 0 CBADLP C[C@H](CCNC(=O)Cc1c[nH]c[nH+]1)[NH2+]Cc1nncn1C ZINC001399404506 901711119 /nfs/dbraw/zinc/71/11/19/901711119.db2.gz RSALABVLNAZVLX-SNVBAGLBSA-N 2 2 291.359 -0.235 20 0 CBADLP Cn1cncc1C[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001399653851 901767754 /nfs/dbraw/zinc/76/77/54/901767754.db2.gz JFLRQBDKMMZLEV-GFCCVEGCSA-N 2 2 279.388 -0.080 20 0 CBADLP Cn1cncc1C[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001399653851 901767766 /nfs/dbraw/zinc/76/77/66/901767766.db2.gz JFLRQBDKMMZLEV-GFCCVEGCSA-N 2 2 279.388 -0.080 20 0 CBADLP Cn1cncc1C[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001399653851 901767780 /nfs/dbraw/zinc/76/77/80/901767780.db2.gz JFLRQBDKMMZLEV-GFCCVEGCSA-N 2 2 279.388 -0.080 20 0 CBADLP Cn1cncc1C[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001399653851 901767795 /nfs/dbraw/zinc/76/77/95/901767795.db2.gz JFLRQBDKMMZLEV-GFCCVEGCSA-N 2 2 279.388 -0.080 20 0 CBADLP C[C@H](CNC(=O)CC[NH+](C)C)NC(=O)Cc1c[nH+]cn1C ZINC001400036256 901857207 /nfs/dbraw/zinc/85/72/07/901857207.db2.gz YPDWVGNJYFXHGK-LLVKDONJSA-N 2 2 295.387 -0.465 20 0 CBADLP CCC[N@H+](C)CC(=O)N[C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001400268441 901903486 /nfs/dbraw/zinc/90/34/86/901903486.db2.gz FOPPMAMXTRILRW-LBPRGKRZSA-N 2 2 295.387 -0.154 20 0 CBADLP CCC[N@@H+](C)CC(=O)N[C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001400268441 901903495 /nfs/dbraw/zinc/90/34/95/901903495.db2.gz FOPPMAMXTRILRW-LBPRGKRZSA-N 2 2 295.387 -0.154 20 0 CBADLP C[NH+](C)CCC(=O)N1CC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001400439899 901940978 /nfs/dbraw/zinc/94/09/78/901940978.db2.gz FPKCXZVUCXHCHW-GFCCVEGCSA-N 2 2 293.371 -0.448 20 0 CBADLP C[NH+](C)CCC(=O)N1CC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001400439914 901942313 /nfs/dbraw/zinc/94/23/13/901942313.db2.gz FPKCXZVUCXHCHW-LBPRGKRZSA-N 2 2 293.371 -0.448 20 0 CBADLP C[C@H]1CC[N@H+](CC(=O)NCC2C[NH+]([C@@H]3CCNC3=O)C2)C1 ZINC001400523249 901959723 /nfs/dbraw/zinc/95/97/23/901959723.db2.gz BKMLGRKJQVLCDR-WCQYABFASA-N 2 2 294.399 -0.735 20 0 CBADLP C[C@H]1CC[N@@H+](CC(=O)NCC2C[NH+]([C@@H]3CCNC3=O)C2)C1 ZINC001400523249 901959730 /nfs/dbraw/zinc/95/97/30/901959730.db2.gz BKMLGRKJQVLCDR-WCQYABFASA-N 2 2 294.399 -0.735 20 0 CBADLP CNC(=O)C[NH+]1CC(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001400533959 901964539 /nfs/dbraw/zinc/96/45/39/901964539.db2.gz WCOUUOJRTVHTOO-LLVKDONJSA-N 2 2 282.388 -0.878 20 0 CBADLP CNC(=O)C[NH+]1CC(CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001400533959 901964545 /nfs/dbraw/zinc/96/45/45/901964545.db2.gz WCOUUOJRTVHTOO-LLVKDONJSA-N 2 2 282.388 -0.878 20 0 CBADLP CC[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@H](C)C(=O)N(C)C ZINC001400844401 902026115 /nfs/dbraw/zinc/02/61/15/902026115.db2.gz BYKPCDRTWVZDQL-GHMZBOCLSA-N 2 2 295.387 -0.087 20 0 CBADLP C[C@H]([NH2+]C[C@](C)(NC(=O)Cn1cc[nH+]c1)C1CC1)C(N)=O ZINC001401027474 902043030 /nfs/dbraw/zinc/04/30/30/902043030.db2.gz YPERLQNQIOSHCM-HZMBPMFUSA-N 2 2 293.371 -0.369 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]1C[NH2+][C@H](C)C(N)=O ZINC001401092107 902048774 /nfs/dbraw/zinc/04/87/74/902048774.db2.gz XENPNTXTLIQJBR-GHMZBOCLSA-N 2 2 293.371 -0.285 20 0 CBADLP COC[C@@H](O)C[NH2+]C[C@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001401091605 902049572 /nfs/dbraw/zinc/04/95/72/902049572.db2.gz DHBBRRRHNPKDMJ-NEPJUHHUSA-N 2 2 296.371 -0.460 20 0 CBADLP CNC(=O)C[NH2+]C[C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001401149204 902064295 /nfs/dbraw/zinc/06/42/95/902064295.db2.gz WVKAIBJGJRRPNR-RYUDHWBXSA-N 2 2 295.387 -0.078 20 0 CBADLP CC[C@@H](C(=O)NC[C@@H]1C[N@H+](CCOC)CCO1)[NH+](C)C ZINC001401173445 902073021 /nfs/dbraw/zinc/07/30/21/902073021.db2.gz XULSVERSQJZXGM-OLZOCXBDSA-N 2 2 287.404 -0.210 20 0 CBADLP CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](CCOC)CCO1)[NH+](C)C ZINC001401173445 902073036 /nfs/dbraw/zinc/07/30/36/902073036.db2.gz XULSVERSQJZXGM-OLZOCXBDSA-N 2 2 287.404 -0.210 20 0 CBADLP CC(C)[C@@H](CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)[NH2+]CC(N)=O ZINC001401346324 902107263 /nfs/dbraw/zinc/10/72/63/902107263.db2.gz QENSAFPKTUWMSP-ZYHUDNBSSA-N 2 2 295.387 -0.196 20 0 CBADLP CC(C)[C@@H](CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1)[NH2+]CC(N)=O ZINC001401346324 902107266 /nfs/dbraw/zinc/10/72/66/902107266.db2.gz QENSAFPKTUWMSP-ZYHUDNBSSA-N 2 2 295.387 -0.196 20 0 CBADLP CC[C@@H]([NH2+]CCN(CC)C(=O)Cc1[nH]c[nH+]c1C)C(N)=O ZINC001401595290 902180898 /nfs/dbraw/zinc/18/08/98/902180898.db2.gz IXMCIYIXBYCMOP-LLVKDONJSA-N 2 2 295.387 -0.037 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]CC[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001401593575 902182745 /nfs/dbraw/zinc/18/27/45/902182745.db2.gz AKZCBUSOTYKRLU-KOLCDFICSA-N 2 2 295.387 -0.120 20 0 CBADLP C[C@H](C[NH2+]Cc1cnn(C)c1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001401644636 902206184 /nfs/dbraw/zinc/20/61/84/902206184.db2.gz NLKOFDSRAUZEIE-SNVBAGLBSA-N 2 2 276.344 -0.020 20 0 CBADLP C[C@H](C[NH2+][C@H]1CCNC1=O)NC(=O)CCCn1cc[nH+]c1 ZINC001401668486 902216073 /nfs/dbraw/zinc/21/60/73/902216073.db2.gz MYNIXKSKRWIZHS-NEPJUHHUSA-N 2 2 293.371 -0.354 20 0 CBADLP C[C@H](C[NH2+][C@@H](C)C(N)=O)NC(=O)CCCn1cc[nH+]c1 ZINC001401670016 902218604 /nfs/dbraw/zinc/21/86/04/902218604.db2.gz PTIXSUMGJKXHRS-MNOVXSKESA-N 2 2 281.360 -0.369 20 0 CBADLP C[C@H](C[NH2+]Cc1ccnn1C)NC(=O)Cn1cc[nH+]c1 ZINC001401668818 902218935 /nfs/dbraw/zinc/21/89/35/902218935.db2.gz NAJHLVWFMASULL-LLVKDONJSA-N 2 2 276.344 -0.089 20 0 CBADLP CCCNC(=O)C[NH2+]C[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001401715354 902243998 /nfs/dbraw/zinc/24/39/98/902243998.db2.gz AQOHUODMJSQRLM-NSHDSACASA-N 2 2 295.387 -0.417 20 0 CBADLP O=C(NCC1([NH2+]CCO)CC1)[C@H]1CCc2[nH+]ccn2C1 ZINC001401954025 902323634 /nfs/dbraw/zinc/32/36/34/902323634.db2.gz HQSYQAADZPQVPY-NSHDSACASA-N 2 2 278.356 -0.324 20 0 CBADLP CC[C@@H]([NH2+]C1(CNC(=O)Cc2[nH]cc[nH+]2)CC1)C(N)=O ZINC001401967950 902326178 /nfs/dbraw/zinc/32/61/78/902326178.db2.gz CULAUJJJIQOCTF-SECBINFHSA-N 2 2 279.344 -0.546 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001401987998 902331203 /nfs/dbraw/zinc/33/12/03/902331203.db2.gz WAPJVQZIHUWPSP-SNVBAGLBSA-N 2 2 279.344 -0.744 20 0 CBADLP CC(C)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001402221645 902384242 /nfs/dbraw/zinc/38/42/42/902384242.db2.gz VZAVXJHYJUYGBC-CHWSQXEVSA-N 2 2 296.415 -0.347 20 0 CBADLP CC(C)NC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001402221645 902384256 /nfs/dbraw/zinc/38/42/56/902384256.db2.gz VZAVXJHYJUYGBC-CHWSQXEVSA-N 2 2 296.415 -0.347 20 0 CBADLP CC(C)NC(=O)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001402221645 902384269 /nfs/dbraw/zinc/38/42/69/902384269.db2.gz VZAVXJHYJUYGBC-CHWSQXEVSA-N 2 2 296.415 -0.347 20 0 CBADLP CC(C)NC(=O)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001402221645 902384279 /nfs/dbraw/zinc/38/42/79/902384279.db2.gz VZAVXJHYJUYGBC-CHWSQXEVSA-N 2 2 296.415 -0.347 20 0 CBADLP CCNC(=O)C[NH2+][C@H](CNC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001402350713 902430903 /nfs/dbraw/zinc/43/09/03/902430903.db2.gz YPKVLRSFFBJQSM-LLVKDONJSA-N 2 2 293.371 -0.427 20 0 CBADLP O=C(N[C@@]1(CO)CCC[N@H+](CCF)C1)C12CC[NH+](CC1)C2 ZINC001402457371 902456937 /nfs/dbraw/zinc/45/69/37/902456937.db2.gz MRZIVLUVQWLWKV-HNNXBMFYSA-N 2 2 299.390 -0.005 20 0 CBADLP O=C(N[C@@]1(CO)CCC[N@@H+](CCF)C1)C12CC[NH+](CC1)C2 ZINC001402457371 902456944 /nfs/dbraw/zinc/45/69/44/902456944.db2.gz MRZIVLUVQWLWKV-HNNXBMFYSA-N 2 2 299.390 -0.005 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@@H]1C[NH2+]CC(N)=O ZINC001402531400 902471478 /nfs/dbraw/zinc/47/14/78/902471478.db2.gz ZEJLADHQMRHWOC-LLVKDONJSA-N 2 2 293.371 -0.283 20 0 CBADLP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)CCCn2cc[nH+]c2)C1)C(N)=O ZINC001402551801 902476060 /nfs/dbraw/zinc/47/60/60/902476060.db2.gz QJVFSZHSPOJKSN-IJLUTSLNSA-N 2 2 293.371 -0.226 20 0 CBADLP CCC[N@H+](C)CC(=O)N[C@H]1COC2(C[NH+](CCO)C2)C1 ZINC001402711632 902507825 /nfs/dbraw/zinc/50/78/25/902507825.db2.gz IDWBYTCDQSQAKE-GFCCVEGCSA-N 2 2 285.388 -0.720 20 0 CBADLP CCC[N@@H+](C)CC(=O)N[C@H]1COC2(C[NH+](CCO)C2)C1 ZINC001402711632 902507836 /nfs/dbraw/zinc/50/78/36/902507836.db2.gz IDWBYTCDQSQAKE-GFCCVEGCSA-N 2 2 285.388 -0.720 20 0 CBADLP COCC[NH+]1CC2(C1)C[C@H](NC(=O)C[N@H+](C)C(C)C)CO2 ZINC001402721547 902509237 /nfs/dbraw/zinc/50/92/37/902509237.db2.gz NTLJWONLPNFREH-ZDUSSCGKSA-N 2 2 299.415 -0.068 20 0 CBADLP COCC[NH+]1CC2(C1)C[C@H](NC(=O)C[N@@H+](C)C(C)C)CO2 ZINC001402721547 902509243 /nfs/dbraw/zinc/50/92/43/902509243.db2.gz NTLJWONLPNFREH-ZDUSSCGKSA-N 2 2 299.415 -0.068 20 0 CBADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1[NH2+]CC(=O)N(C)C ZINC001402796224 902522067 /nfs/dbraw/zinc/52/20/67/902522067.db2.gz SIKSGMGMHFHXSE-PWSUYJOCSA-N 2 2 293.371 -0.523 20 0 CBADLP CC[C@@H](C(=O)NCC[C@H](C)[NH2+]Cc1nnn(C)n1)[NH+](C)C ZINC001402849742 902539916 /nfs/dbraw/zinc/53/99/16/902539916.db2.gz GMDPRYQRQYFTHR-QWRGUYRKSA-N 2 2 297.407 -0.465 20 0 CBADLP C[N@H+](CCCO)C[C@@H]1CCCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001402904254 902556582 /nfs/dbraw/zinc/55/65/82/902556582.db2.gz MOJKKTNXHUTXSH-KBPBESRZSA-N 2 2 299.415 -0.378 20 0 CBADLP C[N@@H+](CCCO)C[C@@H]1CCCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001402904254 902556590 /nfs/dbraw/zinc/55/65/90/902556590.db2.gz MOJKKTNXHUTXSH-KBPBESRZSA-N 2 2 299.415 -0.378 20 0 CBADLP C[NH+](CCCO)C[C@@H]1CCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001402904254 902556595 /nfs/dbraw/zinc/55/65/95/902556595.db2.gz MOJKKTNXHUTXSH-KBPBESRZSA-N 2 2 299.415 -0.378 20 0 CBADLP C[NH+](CCCO)C[C@@H]1CCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001402904254 902556601 /nfs/dbraw/zinc/55/66/01/902556601.db2.gz MOJKKTNXHUTXSH-KBPBESRZSA-N 2 2 299.415 -0.378 20 0 CBADLP CCNC(=O)C[NH2+][C@@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001402918514 902559535 /nfs/dbraw/zinc/55/95/35/902559535.db2.gz VQPOIMWRHFUTKL-JTQLQIEISA-N 2 2 281.360 -0.427 20 0 CBADLP C[C@@H](CNC(=O)CCc1[nH+]ccn1C)[NH2+][C@H]1CCNC1=O ZINC001402962827 902574982 /nfs/dbraw/zinc/57/49/82/902574982.db2.gz VOOIPBRANPZQQB-QWRGUYRKSA-N 2 2 293.371 -0.665 20 0 CBADLP Cc1nnc(C[NH2+][C@H](C)CNC(=O)[C@H]2CCC[N@@H+]2C)[nH]1 ZINC001403019701 902594843 /nfs/dbraw/zinc/59/48/43/902594843.db2.gz XYMZZIDDDLHWRR-MWLCHTKSSA-N 2 2 280.376 -0.198 20 0 CBADLP Cc1nnc(C[NH2+][C@H](C)CNC(=O)[C@H]2CCC[N@H+]2C)[nH]1 ZINC001403019701 902594853 /nfs/dbraw/zinc/59/48/53/902594853.db2.gz XYMZZIDDDLHWRR-MWLCHTKSSA-N 2 2 280.376 -0.198 20 0 CBADLP CNC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001403043595 902597634 /nfs/dbraw/zinc/59/76/34/902597634.db2.gz ZGHYUJIRSFYBCE-MNOVXSKESA-N 2 2 295.387 -0.419 20 0 CBADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+][C@@H]1CCN(C)C1=O ZINC001403088396 902612908 /nfs/dbraw/zinc/61/29/08/902612908.db2.gz VFTOETJBGHKLCX-ZYHUDNBSSA-N 2 2 293.371 -0.712 20 0 CBADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+][C@H]1CCN(C)C1=O ZINC001403088383 902613184 /nfs/dbraw/zinc/61/31/84/902613184.db2.gz VFTOETJBGHKLCX-PWSUYJOCSA-N 2 2 293.371 -0.712 20 0 CBADLP CC(C)NC(=O)C[NH2+][C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001403131697 902622993 /nfs/dbraw/zinc/62/29/93/902622993.db2.gz HSKPXCXHRFALKA-LLVKDONJSA-N 2 2 281.360 -0.498 20 0 CBADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CCn1cncn1 ZINC001403142621 902628266 /nfs/dbraw/zinc/62/82/66/902628266.db2.gz QNPJLFBDBUVAPR-LLVKDONJSA-N 2 2 277.332 -0.731 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH+](C)CC(N)=O ZINC001403150903 902630518 /nfs/dbraw/zinc/63/05/18/902630518.db2.gz ZKOHJHXINCXCAL-MNOVXSKESA-N 2 2 270.377 -0.608 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH+](C)CC(N)=O ZINC001403150903 902630526 /nfs/dbraw/zinc/63/05/26/902630526.db2.gz ZKOHJHXINCXCAL-MNOVXSKESA-N 2 2 270.377 -0.608 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1CCCC[NH+]1C)[N@H+](C)CC(N)=O ZINC001403150903 902630536 /nfs/dbraw/zinc/63/05/36/902630536.db2.gz ZKOHJHXINCXCAL-MNOVXSKESA-N 2 2 270.377 -0.608 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1CCCC[NH+]1C)[N@@H+](C)CC(N)=O ZINC001403150903 902630545 /nfs/dbraw/zinc/63/05/45/902630545.db2.gz ZKOHJHXINCXCAL-MNOVXSKESA-N 2 2 270.377 -0.608 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001403217628 902651703 /nfs/dbraw/zinc/65/17/03/902651703.db2.gz VGUSMZUYZCSZQB-MNOVXSKESA-N 2 2 279.344 -0.792 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)N1CC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001403240121 902659214 /nfs/dbraw/zinc/65/92/14/902659214.db2.gz KAMWSNDDCRIBGP-NSHDSACASA-N 2 2 293.371 -0.724 20 0 CBADLP C[C@H](NC(=O)C[NH+]1CCCC1)C1C[NH+](CC(=O)N(C)C)C1 ZINC001403341186 902672929 /nfs/dbraw/zinc/67/29/29/902672929.db2.gz JTRDCSLKFWFORR-LBPRGKRZSA-N 2 2 296.415 -0.393 20 0 CBADLP C[NH+](C)CCCC(=O)N[C@H]1C[N@H+](CC(N)=O)CC1(C)C ZINC001403385595 902682204 /nfs/dbraw/zinc/68/22/04/902682204.db2.gz RQJNHDBXOHVSNO-NSHDSACASA-N 2 2 284.404 -0.360 20 0 CBADLP C[NH+](C)CCCC(=O)N[C@H]1C[N@@H+](CC(N)=O)CC1(C)C ZINC001403385595 902682213 /nfs/dbraw/zinc/68/22/13/902682213.db2.gz RQJNHDBXOHVSNO-NSHDSACASA-N 2 2 284.404 -0.360 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001403423005 902686986 /nfs/dbraw/zinc/68/69/86/902686986.db2.gz RZYBDIOXIAGMQG-CNDDSTCGSA-N 2 2 278.356 -0.453 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001403423005 902686993 /nfs/dbraw/zinc/68/69/93/902686993.db2.gz RZYBDIOXIAGMQG-CNDDSTCGSA-N 2 2 278.356 -0.453 20 0 CBADLP CC[C@@H]([NH2+][C@H](C)CCNC(=O)Cc1[nH]cc[nH+]1)C(N)=O ZINC001403459423 902695780 /nfs/dbraw/zinc/69/57/80/902695780.db2.gz KUVWPHKVXGNZPT-NXEZZACHSA-N 2 2 281.360 -0.300 20 0 CBADLP COC[C@H](O)C[NH2+][C@@H](C)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001403611177 902746058 /nfs/dbraw/zinc/74/60/58/902746058.db2.gz LGRUURIPMZOHBV-WCQYABFASA-N 2 2 298.387 -0.594 20 0 CBADLP C[N@H+](CCCO)CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001403618160 902751655 /nfs/dbraw/zinc/75/16/55/902751655.db2.gz QAMRMXJRPQFGGL-LBPRGKRZSA-N 2 2 280.372 -0.124 20 0 CBADLP C[N@@H+](CCCO)CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001403618160 902751668 /nfs/dbraw/zinc/75/16/68/902751668.db2.gz QAMRMXJRPQFGGL-LBPRGKRZSA-N 2 2 280.372 -0.124 20 0 CBADLP Cc1conc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001403700998 902808298 /nfs/dbraw/zinc/80/82/98/902808298.db2.gz MIKFYOXFTCEAJV-WCQYABFASA-N 2 2 296.371 -0.356 20 0 CBADLP Cc1conc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001403700998 902808306 /nfs/dbraw/zinc/80/83/06/902808306.db2.gz MIKFYOXFTCEAJV-WCQYABFASA-N 2 2 296.371 -0.356 20 0 CBADLP Cc1conc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001403700994 902808846 /nfs/dbraw/zinc/80/88/46/902808846.db2.gz MIKFYOXFTCEAJV-DGCLKSJQSA-N 2 2 296.371 -0.356 20 0 CBADLP Cc1conc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001403700994 902808856 /nfs/dbraw/zinc/80/88/56/902808856.db2.gz MIKFYOXFTCEAJV-DGCLKSJQSA-N 2 2 296.371 -0.356 20 0 CBADLP CC[NH2+][C@H](CO)CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001403703981 902811618 /nfs/dbraw/zinc/81/16/18/902811618.db2.gz JGXSGVHSIKOPMY-GXTWGEPZSA-N 2 2 299.415 -0.284 20 0 CBADLP CC[NH2+][C@H](CO)CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001403703981 902811635 /nfs/dbraw/zinc/81/16/35/902811635.db2.gz JGXSGVHSIKOPMY-GXTWGEPZSA-N 2 2 299.415 -0.284 20 0 CBADLP CC(C)(C(=O)NCC[N@H+](CC(N)=O)C1CC1)[NH+]1CCCC1 ZINC001404259516 902960903 /nfs/dbraw/zinc/96/09/03/902960903.db2.gz OGUZTPJTLNQHBL-UHFFFAOYSA-N 2 2 296.415 -0.073 20 0 CBADLP CC(C)(C(=O)NCC[N@@H+](CC(N)=O)C1CC1)[NH+]1CCCC1 ZINC001404259516 902960909 /nfs/dbraw/zinc/96/09/09/902960909.db2.gz OGUZTPJTLNQHBL-UHFFFAOYSA-N 2 2 296.415 -0.073 20 0 CBADLP CCCN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001404434095 902983793 /nfs/dbraw/zinc/98/37/93/902983793.db2.gz AMFGSSGYJHUTKY-ZDUSSCGKSA-N 2 2 296.415 -0.120 20 0 CBADLP CCCN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001404434095 902983799 /nfs/dbraw/zinc/98/37/99/902983799.db2.gz AMFGSSGYJHUTKY-ZDUSSCGKSA-N 2 2 296.415 -0.120 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)C(=O)NC1C[NH+](CCCO)C1 ZINC001404838645 903038165 /nfs/dbraw/zinc/03/81/65/903038165.db2.gz PDZHEMRRVVYZGB-GFCCVEGCSA-N 2 2 285.388 -0.863 20 0 CBADLP CC[C@H](CNC(=O)Cc1[nH]c[nH+]c1C)[NH2+][C@@H]1CCNC1=O ZINC001405353108 903155397 /nfs/dbraw/zinc/15/53/97/903155397.db2.gz PNQHRAIEXRMJFV-GHMZBOCLSA-N 2 2 293.371 -0.366 20 0 CBADLP C[C@H]([NH2+]C[C@](C)(NC(=O)Cc1[nH]cc[nH+]1)C1CC1)C(N)=O ZINC001405500125 903172224 /nfs/dbraw/zinc/17/22/24/903172224.db2.gz JLVFLCRQAUQKCG-XPTSAGLGSA-N 2 2 293.371 -0.300 20 0 CBADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C[NH2+][C@@H]1CCNC1=O ZINC001405701096 903204951 /nfs/dbraw/zinc/20/49/51/903204951.db2.gz ZIRKCOCRRGRDOS-MWLCHTKSSA-N 2 2 279.344 -0.817 20 0 CBADLP O=C(CC[NH+]1CCCCC1)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001405736802 903212460 /nfs/dbraw/zinc/21/24/60/903212460.db2.gz HDHGPANIJHAFFM-AWEZNQCLSA-N 2 2 299.415 -0.328 20 0 CBADLP O=C(CC[NH+]1CCCCC1)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001405736802 903212472 /nfs/dbraw/zinc/21/24/72/903212472.db2.gz HDHGPANIJHAFFM-AWEZNQCLSA-N 2 2 299.415 -0.328 20 0 CBADLP C[C@H](C[NH2+]CC(N)=O)N(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001405833703 903234561 /nfs/dbraw/zinc/23/45/61/903234561.db2.gz FDNZJRZTMKNVKJ-GHMZBOCLSA-N 2 2 293.371 -0.633 20 0 CBADLP CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001405876956 903242114 /nfs/dbraw/zinc/24/21/14/903242114.db2.gz RLTVOMDIDUILNN-JTQLQIEISA-N 2 2 281.360 -0.475 20 0 CBADLP C[C@H]1C[C@@H](C(=O)N(C)CC[NH+](C)CC(N)=O)CC[N@@H+]1C ZINC001406122058 903273240 /nfs/dbraw/zinc/27/32/40/903273240.db2.gz DUBOCJICEKOUNC-RYUDHWBXSA-N 2 2 284.404 -0.408 20 0 CBADLP C[C@H]1C[C@@H](C(=O)N(C)CC[NH+](C)CC(N)=O)CC[N@H+]1C ZINC001406122058 903273249 /nfs/dbraw/zinc/27/32/49/903273249.db2.gz DUBOCJICEKOUNC-RYUDHWBXSA-N 2 2 284.404 -0.408 20 0 CBADLP C[C@H]1C[C@@H](C(=O)N(C)CC[N@H+](C)CC(N)=O)CC[NH+]1C ZINC001406122058 903273259 /nfs/dbraw/zinc/27/32/59/903273259.db2.gz DUBOCJICEKOUNC-RYUDHWBXSA-N 2 2 284.404 -0.408 20 0 CBADLP C[C@H]1C[C@@H](C(=O)N(C)CC[N@@H+](C)CC(N)=O)CC[NH+]1C ZINC001406122058 903273270 /nfs/dbraw/zinc/27/32/70/903273270.db2.gz DUBOCJICEKOUNC-RYUDHWBXSA-N 2 2 284.404 -0.408 20 0 CBADLP CN(CC[N@H+](C)CC(N)=O)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001406111938 903276499 /nfs/dbraw/zinc/27/64/99/903276499.db2.gz PWRMYBMNRZKBKP-LBPRGKRZSA-N 2 2 284.404 -0.264 20 0 CBADLP CN(CC[N@@H+](C)CC(N)=O)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001406111938 903276508 /nfs/dbraw/zinc/27/65/08/903276508.db2.gz PWRMYBMNRZKBKP-LBPRGKRZSA-N 2 2 284.404 -0.264 20 0 CBADLP CN(CC[NH+](C)CC(N)=O)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001406111938 903276518 /nfs/dbraw/zinc/27/65/18/903276518.db2.gz PWRMYBMNRZKBKP-LBPRGKRZSA-N 2 2 284.404 -0.264 20 0 CBADLP CN(CC[NH+](C)CC(N)=O)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001406111938 903276530 /nfs/dbraw/zinc/27/65/30/903276530.db2.gz PWRMYBMNRZKBKP-LBPRGKRZSA-N 2 2 284.404 -0.264 20 0 CBADLP CN(CC[N@H+](C)CC(=O)NC1CC1)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001406173283 903283825 /nfs/dbraw/zinc/28/38/25/903283825.db2.gz ZHEMCEAXJKPGQR-GFCCVEGCSA-N 2 2 296.415 -0.393 20 0 CBADLP CN(CC[N@@H+](C)CC(=O)NC1CC1)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001406173283 903283838 /nfs/dbraw/zinc/28/38/38/903283838.db2.gz ZHEMCEAXJKPGQR-GFCCVEGCSA-N 2 2 296.415 -0.393 20 0 CBADLP CN(CC[NH+](C)CC(=O)NC1CC1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001406173283 903283849 /nfs/dbraw/zinc/28/38/49/903283849.db2.gz ZHEMCEAXJKPGQR-GFCCVEGCSA-N 2 2 296.415 -0.393 20 0 CBADLP CN(CC[NH+](C)CC(=O)NC1CC1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001406173283 903283864 /nfs/dbraw/zinc/28/38/64/903283864.db2.gz ZHEMCEAXJKPGQR-GFCCVEGCSA-N 2 2 296.415 -0.393 20 0 CBADLP CN(CC[N@H+](C)CC(N)=O)C(=O)CCC[NH+]1CCCC1 ZINC001406176493 903286604 /nfs/dbraw/zinc/28/66/04/903286604.db2.gz OFSUJVHMGNNZQJ-UHFFFAOYSA-N 2 2 284.404 -0.262 20 0 CBADLP CN(CC[N@@H+](C)CC(N)=O)C(=O)CCC[NH+]1CCCC1 ZINC001406176493 903286619 /nfs/dbraw/zinc/28/66/19/903286619.db2.gz OFSUJVHMGNNZQJ-UHFFFAOYSA-N 2 2 284.404 -0.262 20 0 CBADLP Cc1conc1C[NH2+]C[C@H](O)CNC(=O)C[NH+]1CCCC1 ZINC001406281343 903337615 /nfs/dbraw/zinc/33/76/15/903337615.db2.gz HDOSWQYJIKDMLJ-LBPRGKRZSA-N 2 2 296.371 -0.354 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]CC[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001406327095 903358351 /nfs/dbraw/zinc/35/83/51/903358351.db2.gz YOODWPJBHPKQMN-MNOVXSKESA-N 2 2 295.387 -0.419 20 0 CBADLP CCN(CC[NH2+][C@H]1CCNC1=O)C(=O)Cn1cc[nH+]c1 ZINC001406327721 903360474 /nfs/dbraw/zinc/36/04/74/903360474.db2.gz XHQSHILFTGACEU-NSHDSACASA-N 2 2 279.344 -0.790 20 0 CBADLP C[C@@H](C[NH2+][C@@H](C)c1nncn1C)NC(=O)Cn1cc[nH+]c1 ZINC001406574868 903434013 /nfs/dbraw/zinc/43/40/13/903434013.db2.gz VJILSBRPAFUCIO-QWRGUYRKSA-N 2 2 291.359 -0.133 20 0 CBADLP Cn1nnc(C[NH2+]C[C@H](NC(=O)CC[NH+](C)C)C2CC2)n1 ZINC001406775891 903478801 /nfs/dbraw/zinc/47/88/01/903478801.db2.gz KUZXRABNEQCGOA-NSHDSACASA-N 2 2 295.391 -0.854 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C[NH2+]CC(N)=O)C1CC1 ZINC001406779475 903480346 /nfs/dbraw/zinc/48/03/46/903480346.db2.gz CWQWZMRBBRSBPP-NSHDSACASA-N 2 2 279.344 -0.770 20 0 CBADLP CCC[N@H+](C)CC(=O)NC[C@@H]1CC[NH+]1CC(=O)N(C)CC ZINC001406880662 903503057 /nfs/dbraw/zinc/50/30/57/903503057.db2.gz FQDBIEOKAAVACM-ZDUSSCGKSA-N 2 2 298.431 -0.003 20 0 CBADLP CCC[N@@H+](C)CC(=O)NC[C@@H]1CC[NH+]1CC(=O)N(C)CC ZINC001406880662 903503076 /nfs/dbraw/zinc/50/30/76/903503076.db2.gz FQDBIEOKAAVACM-ZDUSSCGKSA-N 2 2 298.431 -0.003 20 0 CBADLP CCC[NH+](C)CC(=O)NC[C@@H]1CC[N@@H+]1CC(=O)N(C)CC ZINC001406880662 903503093 /nfs/dbraw/zinc/50/30/93/903503093.db2.gz FQDBIEOKAAVACM-ZDUSSCGKSA-N 2 2 298.431 -0.003 20 0 CBADLP CCC[NH+](C)CC(=O)NC[C@@H]1CC[N@H+]1CC(=O)N(C)CC ZINC001406880662 903503111 /nfs/dbraw/zinc/50/31/11/903503111.db2.gz FQDBIEOKAAVACM-ZDUSSCGKSA-N 2 2 298.431 -0.003 20 0 CBADLP O=C(Cn1cc[nH+]c1)NCC1([NH2+][C@H]2CCNC2=O)CC1 ZINC001407001541 903524650 /nfs/dbraw/zinc/52/46/50/903524650.db2.gz WPKPSGMTBRMJDC-JTQLQIEISA-N 2 2 277.328 -0.990 20 0 CBADLP COCC[N@@H+]1CCC[C@](CO)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001407626838 903640985 /nfs/dbraw/zinc/64/09/85/903640985.db2.gz FUGKQEOOWIDTSS-AWEZNQCLSA-N 2 2 296.371 -0.527 20 0 CBADLP COCC[N@H+]1CCC[C@](CO)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001407626838 903640995 /nfs/dbraw/zinc/64/09/95/903640995.db2.gz FUGKQEOOWIDTSS-AWEZNQCLSA-N 2 2 296.371 -0.527 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@@H](C)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001408227582 903734618 /nfs/dbraw/zinc/73/46/18/903734618.db2.gz TZOYBDATBIXQMX-UWVGGRQHSA-N 2 2 281.360 -0.429 20 0 CBADLP C[C@@H](C(N)=O)[N@H+](C)C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001408355570 903756197 /nfs/dbraw/zinc/75/61/97/903756197.db2.gz IZJZPWFQGBISEQ-RYUDHWBXSA-N 2 2 293.371 -0.320 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+](C)C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001408355570 903756206 /nfs/dbraw/zinc/75/62/06/903756206.db2.gz IZJZPWFQGBISEQ-RYUDHWBXSA-N 2 2 293.371 -0.320 20 0 CBADLP C[NH+](C)CCCC(=O)N1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001409097044 903851417 /nfs/dbraw/zinc/85/14/17/903851417.db2.gz RGLNRQYYEZSANF-UHFFFAOYSA-N 2 2 293.371 -0.379 20 0 CBADLP C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H](C)[NH2+]CC(=O)N(C)C ZINC001409396298 903898879 /nfs/dbraw/zinc/89/88/79/903898879.db2.gz MLEFARJSSWTBKS-VHSXEESVSA-N 2 2 281.360 -0.477 20 0 CBADLP CNC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001409411160 903898955 /nfs/dbraw/zinc/89/89/55/903898955.db2.gz ZSMYECDUJUHNHX-VHSXEESVSA-N 2 2 281.360 -0.429 20 0 CBADLP CNC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001409411160 903898965 /nfs/dbraw/zinc/89/89/65/903898965.db2.gz ZSMYECDUJUHNHX-VHSXEESVSA-N 2 2 281.360 -0.429 20 0 CBADLP CCN(C)C(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001409412961 903899505 /nfs/dbraw/zinc/89/95/05/903899505.db2.gz YIYVSGYBBBEQFB-GHMZBOCLSA-N 2 2 295.387 -0.087 20 0 CBADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)CC(N)=O ZINC001409556194 903925785 /nfs/dbraw/zinc/92/57/85/903925785.db2.gz NJFRFNPTURHABS-VXGBXAGGSA-N 2 2 284.404 -0.219 20 0 CBADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)CC(N)=O ZINC001409556194 903925796 /nfs/dbraw/zinc/92/57/96/903925796.db2.gz NJFRFNPTURHABS-VXGBXAGGSA-N 2 2 284.404 -0.219 20 0 CBADLP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H](C)[N@H+](C)CC(N)=O ZINC001409556194 903925805 /nfs/dbraw/zinc/92/58/05/903925805.db2.gz NJFRFNPTURHABS-VXGBXAGGSA-N 2 2 284.404 -0.219 20 0 CBADLP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+](C)CC(N)=O ZINC001409556194 903925814 /nfs/dbraw/zinc/92/58/14/903925814.db2.gz NJFRFNPTURHABS-VXGBXAGGSA-N 2 2 284.404 -0.219 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC[C@H](C)[N@H+](C)[C@@H](C)C(N)=O ZINC001409676548 903953647 /nfs/dbraw/zinc/95/36/47/903953647.db2.gz HZBMPQMCLSFBBN-UWVGGRQHSA-N 2 2 281.360 -0.498 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC[C@H](C)[N@@H+](C)[C@@H](C)C(N)=O ZINC001409676548 903953661 /nfs/dbraw/zinc/95/36/61/903953661.db2.gz HZBMPQMCLSFBBN-UWVGGRQHSA-N 2 2 281.360 -0.498 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC[C@H](C)[N@H+](C)[C@H](C)C(N)=O ZINC001409676599 903956088 /nfs/dbraw/zinc/95/60/88/903956088.db2.gz HZBMPQMCLSFBBN-VHSXEESVSA-N 2 2 281.360 -0.498 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC[C@H](C)[N@@H+](C)[C@H](C)C(N)=O ZINC001409676599 903956103 /nfs/dbraw/zinc/95/61/03/903956103.db2.gz HZBMPQMCLSFBBN-VHSXEESVSA-N 2 2 281.360 -0.498 20 0 CBADLP CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)C[N@H+](C)C(C)C)C1 ZINC001409960609 903990448 /nfs/dbraw/zinc/99/04/48/903990448.db2.gz CKYXHCYFIXYTKF-LBPRGKRZSA-N 2 2 298.431 -0.101 20 0 CBADLP CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001409960609 903990460 /nfs/dbraw/zinc/99/04/60/903990460.db2.gz CKYXHCYFIXYTKF-LBPRGKRZSA-N 2 2 298.431 -0.101 20 0 CBADLP C[C@H](O)[C@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)CCO1 ZINC001460231107 914774080 /nfs/dbraw/zinc/77/40/80/914774080.db2.gz IKHAWUKQNMFBDA-QWHCGFSZSA-N 2 2 285.388 -0.768 20 0 CBADLP C[C@H](O)[C@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)CCO1 ZINC001460231107 914774086 /nfs/dbraw/zinc/77/40/86/914774086.db2.gz IKHAWUKQNMFBDA-QWHCGFSZSA-N 2 2 285.388 -0.768 20 0 CBADLP C[C@@H](O)[C@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)CCO1 ZINC001460231094 914776696 /nfs/dbraw/zinc/77/66/96/914776696.db2.gz IKHAWUKQNMFBDA-CHWSQXEVSA-N 2 2 285.388 -0.768 20 0 CBADLP C[C@@H](O)[C@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)CCO1 ZINC001460231094 914776710 /nfs/dbraw/zinc/77/67/10/914776710.db2.gz IKHAWUKQNMFBDA-CHWSQXEVSA-N 2 2 285.388 -0.768 20 0 CBADLP C[C@@H](CN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1)[NH2+]CC(N)=O ZINC001410377054 904086503 /nfs/dbraw/zinc/08/65/03/904086503.db2.gz JAJNJTJZWSHIES-WDEREUQCSA-N 2 2 293.371 -0.633 20 0 CBADLP C[C@H](CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1)[NH2+]CC(N)=O ZINC001410479000 904105456 /nfs/dbraw/zinc/10/54/56/904105456.db2.gz CEXCNQQXPQLSGA-SECBINFHSA-N 2 2 281.360 -0.391 20 0 CBADLP C[NH+](C)CCC(=O)NC[C@H]1CCN1C(=O)Cn1cc[nH+]c1 ZINC001410644528 904150477 /nfs/dbraw/zinc/15/04/77/904150477.db2.gz PZZUZDPAXGLNMM-GFCCVEGCSA-N 2 2 293.371 -0.448 20 0 CBADLP Cc1nocc1C[NH2+][C@@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001410823431 904193505 /nfs/dbraw/zinc/19/35/05/904193505.db2.gz QHMIIZJCECHOBK-GFCCVEGCSA-N 2 2 293.327 -0.554 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001411183084 904255869 /nfs/dbraw/zinc/25/58/69/904255869.db2.gz VRDMOHBPJSAOOH-CYBMUJFWSA-N 2 2 298.387 -0.640 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001411183084 904255884 /nfs/dbraw/zinc/25/58/84/904255884.db2.gz VRDMOHBPJSAOOH-CYBMUJFWSA-N 2 2 298.387 -0.640 20 0 CBADLP CNC(=O)NC(=O)CC[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC001460662239 914806577 /nfs/dbraw/zinc/80/65/77/914806577.db2.gz HJZUCEMFHVROSI-UHFFFAOYSA-N 2 2 277.328 -0.132 20 0 CBADLP CNC(=O)NC(=O)CC[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC001460662239 914806592 /nfs/dbraw/zinc/80/65/92/914806592.db2.gz HJZUCEMFHVROSI-UHFFFAOYSA-N 2 2 277.328 -0.132 20 0 CBADLP CC[NH+]1CCC(C[N@@H+]2CCN(CC(N)=O)C(=O)C2)CC1 ZINC001462331045 914879089 /nfs/dbraw/zinc/87/90/89/914879089.db2.gz CZDPLCASNLQCCZ-UHFFFAOYSA-N 2 2 282.388 -0.652 20 0 CBADLP CC[NH+]1CCC(C[N@H+]2CCN(CC(N)=O)C(=O)C2)CC1 ZINC001462331045 914879104 /nfs/dbraw/zinc/87/91/04/914879104.db2.gz CZDPLCASNLQCCZ-UHFFFAOYSA-N 2 2 282.388 -0.652 20 0 CBADLP O=C(CC[N@@H+]1CC[C@H](F)C1)N1CC[NH+](CCO)CC1 ZINC001412412424 904563221 /nfs/dbraw/zinc/56/32/21/904563221.db2.gz NHUHKROMXNQUAV-LBPRGKRZSA-N 2 2 273.352 -0.443 20 0 CBADLP O=C(CC[N@H+]1CC[C@H](F)C1)N1CC[NH+](CCO)CC1 ZINC001412412424 904563229 /nfs/dbraw/zinc/56/32/29/904563229.db2.gz NHUHKROMXNQUAV-LBPRGKRZSA-N 2 2 273.352 -0.443 20 0 CBADLP C[NH+]1CCC(OCC(=O)N[C@H](CO)Cc2c[nH]c[nH+]2)CC1 ZINC001412488673 904591479 /nfs/dbraw/zinc/59/14/79/904591479.db2.gz MOJBHFHRGUYUAN-LBPRGKRZSA-N 2 2 296.371 -0.460 20 0 CBADLP C[NH+]1CCC(OCC(=O)N[C@H](CO)Cc2c[nH+]c[nH]2)CC1 ZINC001412488673 904591484 /nfs/dbraw/zinc/59/14/84/904591484.db2.gz MOJBHFHRGUYUAN-LBPRGKRZSA-N 2 2 296.371 -0.460 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+]([C@H]2CCOC2=O)CC1 ZINC001412736127 904692388 /nfs/dbraw/zinc/69/23/88/904692388.db2.gz VTVNJBSVRURWTO-OLZOCXBDSA-N 2 2 295.383 -0.023 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+]([C@H]2CCOC2=O)CC1 ZINC001412736127 904692391 /nfs/dbraw/zinc/69/23/91/904692391.db2.gz VTVNJBSVRURWTO-OLZOCXBDSA-N 2 2 295.383 -0.023 20 0 CBADLP O=C1NCCC[C@@H]1[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC001412980015 904846279 /nfs/dbraw/zinc/84/62/79/904846279.db2.gz IWEACPDMUYXNPY-ZDUSSCGKSA-N 2 2 297.399 -0.576 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)N1CC([NH2+][C@H]2CCOC2)C1 ZINC001413675072 905165913 /nfs/dbraw/zinc/16/59/13/905165913.db2.gz WBIWGWLPDLBMPM-NSHDSACASA-N 2 2 278.356 -0.058 20 0 CBADLP COC(=O)[C@@H]1CN(CC[N@@H+]2CCO[C@@H](C)C2)CC[NH+](C)C1 ZINC001414001780 905311599 /nfs/dbraw/zinc/31/15/99/905311599.db2.gz VTQOKMLHINHLPB-KBPBESRZSA-N 2 2 299.415 -0.256 20 0 CBADLP COC(=O)[C@@H]1CN(CC[N@H+]2CCO[C@@H](C)C2)CC[NH+](C)C1 ZINC001414001780 905311619 /nfs/dbraw/zinc/31/16/19/905311619.db2.gz VTQOKMLHINHLPB-KBPBESRZSA-N 2 2 299.415 -0.256 20 0 CBADLP COC(=O)[C@@H]1CN(CC[NH+]2CCO[C@@H](C)C2)CC[N@H+](C)C1 ZINC001414001780 905311639 /nfs/dbraw/zinc/31/16/39/905311639.db2.gz VTQOKMLHINHLPB-KBPBESRZSA-N 2 2 299.415 -0.256 20 0 CBADLP COC(=O)[C@@H]1CN(CC[NH+]2CCO[C@@H](C)C2)CC[N@@H+](C)C1 ZINC001414001780 905311655 /nfs/dbraw/zinc/31/16/55/905311655.db2.gz VTQOKMLHINHLPB-KBPBESRZSA-N 2 2 299.415 -0.256 20 0 CBADLP CC[N@H+]1CCN(C(=O)NC[C@H]2C[NH+](C)CCN2C)[C@@H](C)C1 ZINC001414557353 905449691 /nfs/dbraw/zinc/44/96/91/905449691.db2.gz NXGJJLJMYLAQMQ-KBPBESRZSA-N 2 2 297.447 -0.032 20 0 CBADLP CC[NH+]1CCN(C(=O)NC[C@H]2C[N@H+](C)CCN2C)[C@@H](C)C1 ZINC001414557353 905449693 /nfs/dbraw/zinc/44/96/93/905449693.db2.gz NXGJJLJMYLAQMQ-KBPBESRZSA-N 2 2 297.447 -0.032 20 0 CBADLP CC[NH+]1CCN(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)[C@@H](C)C1 ZINC001414557353 905449696 /nfs/dbraw/zinc/44/96/96/905449696.db2.gz NXGJJLJMYLAQMQ-KBPBESRZSA-N 2 2 297.447 -0.032 20 0 CBADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001416897027 905828042 /nfs/dbraw/zinc/82/80/42/905828042.db2.gz WTOIFNRMPNXNES-WDEREUQCSA-N 2 2 293.371 -0.475 20 0 CBADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001416897027 905828059 /nfs/dbraw/zinc/82/80/59/905828059.db2.gz WTOIFNRMPNXNES-WDEREUQCSA-N 2 2 293.371 -0.475 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001416905022 905832825 /nfs/dbraw/zinc/83/28/25/905832825.db2.gz NXNSRZDBEGXKNX-NSHDSACASA-N 2 2 295.387 -0.087 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N[C@@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001416905022 905832839 /nfs/dbraw/zinc/83/28/39/905832839.db2.gz NXNSRZDBEGXKNX-NSHDSACASA-N 2 2 295.387 -0.087 20 0 CBADLP C[NH+](C)CCC(=O)N1CC[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001417090883 905862575 /nfs/dbraw/zinc/86/25/75/905862575.db2.gz MEMDUGFTIDHABW-LBPRGKRZSA-N 2 2 293.371 -0.379 20 0 CBADLP C[N@@H+]1CC[C@H](C(=O)NCC[NH+]2CCN(CCF)CC2)C1 ZINC001417928714 906109832 /nfs/dbraw/zinc/10/98/32/906109832.db2.gz LTAHOJVVALERLZ-ZDUSSCGKSA-N 2 2 286.395 -0.359 20 0 CBADLP C[N@H+]1CC[C@H](C(=O)NCC[NH+]2CCN(CCF)CC2)C1 ZINC001417928714 906109836 /nfs/dbraw/zinc/10/98/36/906109836.db2.gz LTAHOJVVALERLZ-ZDUSSCGKSA-N 2 2 286.395 -0.359 20 0 CBADLP CC[C@H](C(N)=O)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001418035855 906141802 /nfs/dbraw/zinc/14/18/02/906141802.db2.gz ZPQCGUPBQITCSE-FRRDWIJNSA-N 2 2 296.415 -0.123 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001418035855 906141811 /nfs/dbraw/zinc/14/18/11/906141811.db2.gz ZPQCGUPBQITCSE-FRRDWIJNSA-N 2 2 296.415 -0.123 20 0 CBADLP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CCCC[NH+]2CC(N)=O)C1 ZINC001418152706 906181923 /nfs/dbraw/zinc/18/19/23/906181923.db2.gz CTTJQYDPSBCADZ-CHWSQXEVSA-N 2 2 296.415 -0.216 20 0 CBADLP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2CCCC[NH+]2CC(N)=O)C1 ZINC001418152706 906181934 /nfs/dbraw/zinc/18/19/34/906181934.db2.gz CTTJQYDPSBCADZ-CHWSQXEVSA-N 2 2 296.415 -0.216 20 0 CBADLP C[C@@H]1CC[NH+](CC(=O)NC[C@H]2CCCC[N@@H+]2CC(N)=O)C1 ZINC001418152706 906181950 /nfs/dbraw/zinc/18/19/50/906181950.db2.gz CTTJQYDPSBCADZ-CHWSQXEVSA-N 2 2 296.415 -0.216 20 0 CBADLP C[C@@H]1CC[NH+](CC(=O)NC[C@H]2CCCC[N@H+]2CC(N)=O)C1 ZINC001418152706 906181963 /nfs/dbraw/zinc/18/19/63/906181963.db2.gz CTTJQYDPSBCADZ-CHWSQXEVSA-N 2 2 296.415 -0.216 20 0 CBADLP Cc1ncc(C[NH2+][C@H](C)CNC(=O)[C@H]2C[N@H+](C)CCO2)o1 ZINC001418209802 906209579 /nfs/dbraw/zinc/20/95/79/906209579.db2.gz NHHQYKXOEUNKMP-ZWNOBZJWSA-N 2 2 296.371 -0.092 20 0 CBADLP Cc1ncc(C[NH2+][C@H](C)CNC(=O)[C@H]2C[N@@H+](C)CCO2)o1 ZINC001418209802 906209586 /nfs/dbraw/zinc/20/95/86/906209586.db2.gz NHHQYKXOEUNKMP-ZWNOBZJWSA-N 2 2 296.371 -0.092 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]Cc1nncn1C ZINC001418272924 906255004 /nfs/dbraw/zinc/25/50/04/906255004.db2.gz XBMWQPHBVQKUMS-RYUDHWBXSA-N 2 2 294.403 -0.106 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]Cc1nncn1C ZINC001418272924 906255026 /nfs/dbraw/zinc/25/50/26/906255026.db2.gz XBMWQPHBVQKUMS-RYUDHWBXSA-N 2 2 294.403 -0.106 20 0 CBADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]Cc1ccnn1C ZINC001418293006 906263448 /nfs/dbraw/zinc/26/34/48/906263448.db2.gz RLWFOSHWIFXBPM-SNVBAGLBSA-N 2 2 276.344 -0.020 20 0 CBADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CC(=O)N(C)C ZINC001418460584 906348990 /nfs/dbraw/zinc/34/89/90/906348990.db2.gz FDMAKYSONYOELG-ZDUSSCGKSA-N 2 2 298.431 -0.005 20 0 CBADLP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CC(=O)N(C)C ZINC001418460584 906349001 /nfs/dbraw/zinc/34/90/01/906349001.db2.gz FDMAKYSONYOELG-ZDUSSCGKSA-N 2 2 298.431 -0.005 20 0 CBADLP CC(C)[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)CC(=O)N(C)C ZINC001418460584 906349012 /nfs/dbraw/zinc/34/90/12/906349012.db2.gz FDMAKYSONYOELG-ZDUSSCGKSA-N 2 2 298.431 -0.005 20 0 CBADLP CC(C)[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)CC(=O)N(C)C ZINC001418460584 906349019 /nfs/dbraw/zinc/34/90/19/906349019.db2.gz FDMAKYSONYOELG-ZDUSSCGKSA-N 2 2 298.431 -0.005 20 0 CBADLP CCNC(=O)C[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001418518613 906383656 /nfs/dbraw/zinc/38/36/56/906383656.db2.gz FKHWFBIAGCCHEV-NSHDSACASA-N 2 2 270.377 -0.878 20 0 CBADLP CCNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001418518613 906383665 /nfs/dbraw/zinc/38/36/65/906383665.db2.gz FKHWFBIAGCCHEV-NSHDSACASA-N 2 2 270.377 -0.878 20 0 CBADLP CCNC(=O)C[NH+](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001418518613 906383679 /nfs/dbraw/zinc/38/36/79/906383679.db2.gz FKHWFBIAGCCHEV-NSHDSACASA-N 2 2 270.377 -0.878 20 0 CBADLP CCNC(=O)C[NH+](C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001418518613 906383691 /nfs/dbraw/zinc/38/36/91/906383691.db2.gz FKHWFBIAGCCHEV-NSHDSACASA-N 2 2 270.377 -0.878 20 0 CBADLP CC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1CC(N)=O)[NH+](C)C ZINC001418635800 906433565 /nfs/dbraw/zinc/43/35/65/906433565.db2.gz HLJRVQIPFBKCQX-QWRGUYRKSA-N 2 2 270.377 -0.608 20 0 CBADLP CC[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1CC(N)=O)[NH+](C)C ZINC001418635800 906433576 /nfs/dbraw/zinc/43/35/76/906433576.db2.gz HLJRVQIPFBKCQX-QWRGUYRKSA-N 2 2 270.377 -0.608 20 0 CBADLP C[C@H](CC(=O)NC[C@H]1CC[N@H+](CC(N)=O)C1)n1cc[nH+]c1 ZINC001418681627 906446280 /nfs/dbraw/zinc/44/62/80/906446280.db2.gz GSUOIASSRAQEPB-VXGBXAGGSA-N 2 2 293.371 -0.242 20 0 CBADLP C[C@H](CC(=O)NC[C@H]1CC[N@@H+](CC(N)=O)C1)n1cc[nH+]c1 ZINC001418681627 906446287 /nfs/dbraw/zinc/44/62/87/906446287.db2.gz GSUOIASSRAQEPB-VXGBXAGGSA-N 2 2 293.371 -0.242 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001418705678 906453882 /nfs/dbraw/zinc/45/38/82/906453882.db2.gz GOWIBXBVXFEOEP-SRVKXCTJSA-N 2 2 291.355 -0.744 20 0 CBADLP CCC[N@H+](CCNC(=O)Cc1[nH]c[nH+]c1C)[C@@H](C)C(N)=O ZINC001418727788 906460057 /nfs/dbraw/zinc/46/00/57/906460057.db2.gz HPCSEYCKCNSQPV-NSHDSACASA-N 2 2 295.387 -0.037 20 0 CBADLP CCC[N@@H+](CCNC(=O)Cc1[nH]c[nH+]c1C)[C@@H](C)C(N)=O ZINC001418727788 906460062 /nfs/dbraw/zinc/46/00/62/906460062.db2.gz HPCSEYCKCNSQPV-NSHDSACASA-N 2 2 295.387 -0.037 20 0 CBADLP CNC(=O)C[N@H+](CCNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001418811455 906481431 /nfs/dbraw/zinc/48/14/31/906481431.db2.gz IDLVGOUZXAJNST-UHFFFAOYSA-N 2 2 282.388 -0.591 20 0 CBADLP CNC(=O)C[N@@H+](CCNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001418811455 906481442 /nfs/dbraw/zinc/48/14/42/906481442.db2.gz IDLVGOUZXAJNST-UHFFFAOYSA-N 2 2 282.388 -0.591 20 0 CBADLP C[C@@H]([NH2+]CCN(C)C(=O)CCn1cc[nH+]c1)C(=O)N(C)C ZINC001418833616 906489682 /nfs/dbraw/zinc/48/96/82/906489682.db2.gz XEJMFFYAQXWFNU-GFCCVEGCSA-N 2 2 295.387 -0.202 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001418904636 906508620 /nfs/dbraw/zinc/50/86/20/906508620.db2.gz GRXBIFHKOKPVFV-WDEREUQCSA-N 2 2 293.371 -0.346 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CC[C@@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001418904636 906508628 /nfs/dbraw/zinc/50/86/28/906508628.db2.gz GRXBIFHKOKPVFV-WDEREUQCSA-N 2 2 293.371 -0.346 20 0 CBADLP CC[NH+]1CCN(CCN(C)C(=O)Cn2cc[nH+]c2)CC1 ZINC001418925016 906519091 /nfs/dbraw/zinc/51/90/91/906519091.db2.gz TZGDOHDLWINHJM-UHFFFAOYSA-N 2 2 279.388 -0.021 20 0 CBADLP CC[C@H](C(=O)NCC1C[NH+]([C@H](C)C(N)=O)C1)[NH+](C)C ZINC001419018879 906566689 /nfs/dbraw/zinc/56/66/89/906566689.db2.gz FLIUWPRJJHNOLB-MWLCHTKSSA-N 2 2 270.377 -0.752 20 0 CBADLP CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001419101513 906597924 /nfs/dbraw/zinc/59/79/24/906597924.db2.gz DFTMHBGVSQNKFY-OLZOCXBDSA-N 2 2 296.415 -0.251 20 0 CBADLP CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001419101513 906597925 /nfs/dbraw/zinc/59/79/25/906597925.db2.gz DFTMHBGVSQNKFY-OLZOCXBDSA-N 2 2 296.415 -0.251 20 0 CBADLP CCNC(=O)C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001419101513 906597929 /nfs/dbraw/zinc/59/79/29/906597929.db2.gz DFTMHBGVSQNKFY-OLZOCXBDSA-N 2 2 296.415 -0.251 20 0 CBADLP CCNC(=O)C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001419101513 906597932 /nfs/dbraw/zinc/59/79/32/906597932.db2.gz DFTMHBGVSQNKFY-OLZOCXBDSA-N 2 2 296.415 -0.251 20 0 CBADLP CC[C@H](CNC(=O)CCc1[nH+]ccn1C)[NH2+]CC(N)=O ZINC001419214320 906640515 /nfs/dbraw/zinc/64/05/15/906640515.db2.gz ITFHUVPPSHMVRW-SNVBAGLBSA-N 2 2 281.360 -0.678 20 0 CBADLP CC[C@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+][C@@H](C)C(N)=O ZINC001419274500 906654797 /nfs/dbraw/zinc/65/47/97/906654797.db2.gz ZSCQDNKQRPCLEM-VHSXEESVSA-N 2 2 281.360 -0.679 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H]([NH2+][C@H]1CCNC1=O)C1CC1 ZINC001419299297 906659164 /nfs/dbraw/zinc/65/91/64/906659164.db2.gz KPOXIIXNSICZBH-WDEREUQCSA-N 2 2 291.355 -0.675 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[C@@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001419425811 906686772 /nfs/dbraw/zinc/68/67/72/906686772.db2.gz HQLZKKMWCDYBNB-LMLFDSFASA-N 2 2 293.371 -0.301 20 0 CBADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C[C@@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001419425811 906686778 /nfs/dbraw/zinc/68/67/78/906686778.db2.gz HQLZKKMWCDYBNB-LMLFDSFASA-N 2 2 293.371 -0.301 20 0 CBADLP C[C@@H]([NH2+]C[C@@H](C)CNC(=O)Cc1c[nH]c[nH+]1)C(=O)N(C)C ZINC001419509993 906709120 /nfs/dbraw/zinc/70/91/20/906709120.db2.gz HZYZTTLRSYJJHY-GHMZBOCLSA-N 2 2 295.387 -0.229 20 0 CBADLP CC[C@H]([NH2+]C[C@H](C)CNC(=O)Cc1c[nH+]cn1C)C(N)=O ZINC001419547362 906720257 /nfs/dbraw/zinc/72/02/57/906720257.db2.gz VCEHTASNYLAQLE-JQWIXIFHSA-N 2 2 295.387 -0.432 20 0 CBADLP C[NH+](C)C1(C(=O)NC[C@H]2C[N@H+](CCCO)CCO2)CCC1 ZINC001419585250 906738730 /nfs/dbraw/zinc/73/87/30/906738730.db2.gz WGHXATQQSITPBJ-ZDUSSCGKSA-N 2 2 299.415 -0.330 20 0 CBADLP C[NH+](C)C1(C(=O)NC[C@H]2C[N@@H+](CCCO)CCO2)CCC1 ZINC001419585250 906738740 /nfs/dbraw/zinc/73/87/40/906738740.db2.gz WGHXATQQSITPBJ-ZDUSSCGKSA-N 2 2 299.415 -0.330 20 0 CBADLP C[N@H+](CC(=O)NC[C@H]1CCCC[NH+]1CC(N)=O)C1CCC1 ZINC001419604603 906740006 /nfs/dbraw/zinc/74/00/06/906740006.db2.gz YPDFDJDVKSNQSZ-CYBMUJFWSA-N 2 2 296.415 -0.073 20 0 CBADLP C[N@@H+](CC(=O)NC[C@H]1CCCC[NH+]1CC(N)=O)C1CCC1 ZINC001419604603 906740019 /nfs/dbraw/zinc/74/00/19/906740019.db2.gz YPDFDJDVKSNQSZ-CYBMUJFWSA-N 2 2 296.415 -0.073 20 0 CBADLP C[NH+](CC(=O)NC[C@H]1CCCC[N@@H+]1CC(N)=O)C1CCC1 ZINC001419604603 906740037 /nfs/dbraw/zinc/74/00/37/906740037.db2.gz YPDFDJDVKSNQSZ-CYBMUJFWSA-N 2 2 296.415 -0.073 20 0 CBADLP C[NH+](CC(=O)NC[C@H]1CCCC[N@H+]1CC(N)=O)C1CCC1 ZINC001419604603 906740055 /nfs/dbraw/zinc/74/00/55/906740055.db2.gz YPDFDJDVKSNQSZ-CYBMUJFWSA-N 2 2 296.415 -0.073 20 0 CBADLP C[C@@H](C[NH2+]CC(=O)N(C)C)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001419744521 906795750 /nfs/dbraw/zinc/79/57/50/906795750.db2.gz QDSWBPWPEKETJM-JTQLQIEISA-N 2 2 281.360 -0.523 20 0 CBADLP C[C@@H]([NH2+]CC(N)=O)[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001419831275 906828663 /nfs/dbraw/zinc/82/86/63/906828663.db2.gz NWVWNHKVAXZYGV-GHMZBOCLSA-N 2 2 293.371 -0.346 20 0 CBADLP C[C@H](CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)[NH2+]CCO ZINC001419838052 906832616 /nfs/dbraw/zinc/83/26/16/906832616.db2.gz OSTFPVPWYWXXQK-TZMCWYRMSA-N 2 2 299.415 -0.284 20 0 CBADLP C[C@H](CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1)[NH2+]CCO ZINC001419838052 906832630 /nfs/dbraw/zinc/83/26/30/906832630.db2.gz OSTFPVPWYWXXQK-TZMCWYRMSA-N 2 2 299.415 -0.284 20 0 CBADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001419857664 906835949 /nfs/dbraw/zinc/83/59/49/906835949.db2.gz GPBCPWCOQBFWHY-ZJUUUORDSA-N 2 2 293.371 -0.286 20 0 CBADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]Cc1cnn(C)c1 ZINC001419907865 906854543 /nfs/dbraw/zinc/85/45/43/906854543.db2.gz XIPRYYRWPXKQTR-SNVBAGLBSA-N 2 2 276.344 -0.020 20 0 CBADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1nccn1C ZINC001419956409 906873366 /nfs/dbraw/zinc/87/33/66/906873366.db2.gz NIKLOPNVOIXURU-LLVKDONJSA-N 2 2 276.344 -0.089 20 0 CBADLP CCN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001419960048 906877230 /nfs/dbraw/zinc/87/72/30/906877230.db2.gz ZLJXMYPOXZLUCH-NSHDSACASA-N 2 2 293.371 -0.379 20 0 CBADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+][C@H]1CCN(C)C1=O ZINC001419954745 906877313 /nfs/dbraw/zinc/87/73/13/906877313.db2.gz HZLROHHJYHDXEG-QWRGUYRKSA-N 2 2 279.344 -0.792 20 0 CBADLP CN(CC[N@H+](C)CC(N)=O)C(=O)C12CCC[NH+]1CCC2 ZINC001419982477 906884689 /nfs/dbraw/zinc/88/46/89/906884689.db2.gz AQVHLFSDQCGFOG-UHFFFAOYSA-N 2 2 282.388 -0.510 20 0 CBADLP CN(CC[N@@H+](C)CC(N)=O)C(=O)C12CCC[NH+]1CCC2 ZINC001419982477 906884699 /nfs/dbraw/zinc/88/46/99/906884699.db2.gz AQVHLFSDQCGFOG-UHFFFAOYSA-N 2 2 282.388 -0.510 20 0 CBADLP CN(CC[N@H+](C)CC(N)=O)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001420044779 906904896 /nfs/dbraw/zinc/90/48/96/906904896.db2.gz ZHPNEGPJROVRAP-NSHDSACASA-N 2 2 270.377 -0.796 20 0 CBADLP CN(CC[N@@H+](C)CC(N)=O)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001420044779 906904909 /nfs/dbraw/zinc/90/49/09/906904909.db2.gz ZHPNEGPJROVRAP-NSHDSACASA-N 2 2 270.377 -0.796 20 0 CBADLP CN(CC[NH+](C)CC(N)=O)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001420044779 906904922 /nfs/dbraw/zinc/90/49/22/906904922.db2.gz ZHPNEGPJROVRAP-NSHDSACASA-N 2 2 270.377 -0.796 20 0 CBADLP CN(CC[NH+](C)CC(N)=O)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001420044779 906904934 /nfs/dbraw/zinc/90/49/34/906904934.db2.gz ZHPNEGPJROVRAP-NSHDSACASA-N 2 2 270.377 -0.796 20 0 CBADLP C[C@H](CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1)[NH2+]CCO ZINC001420102282 906939465 /nfs/dbraw/zinc/93/94/65/906939465.db2.gz RFKNMPBWGSHJCN-VXGBXAGGSA-N 2 2 280.372 -0.078 20 0 CBADLP C[C@H](CCNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@@H](C)C(=O)N(C)C ZINC001420140657 906964927 /nfs/dbraw/zinc/96/49/27/906964927.db2.gz KVSGRQUMRMKPLL-MNOVXSKESA-N 2 2 295.387 -0.087 20 0 CBADLP C[C@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+][C@H](C)C(=O)N(C)C ZINC001420171318 906982861 /nfs/dbraw/zinc/98/28/61/906982861.db2.gz PZPGVAYLTIWTSQ-VXGBXAGGSA-N 2 2 295.387 -0.156 20 0 CBADLP COC[C@H](C)[NH2+]C[C@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001420186725 906999407 /nfs/dbraw/zinc/99/94/07/906999407.db2.gz RGLMBHVKCUEQGX-UWVGGRQHSA-N 2 2 270.333 -0.946 20 0 CBADLP C[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)CC(=O)NCC1CC1 ZINC001420193475 907009239 /nfs/dbraw/zinc/00/92/39/907009239.db2.gz UTMIREWDCGEIMY-ZDUSSCGKSA-N 2 2 296.415 -0.345 20 0 CBADLP C[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)CC(=O)NCC1CC1 ZINC001420193475 907009259 /nfs/dbraw/zinc/00/92/59/907009259.db2.gz UTMIREWDCGEIMY-ZDUSSCGKSA-N 2 2 296.415 -0.345 20 0 CBADLP C[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)CC(=O)NCC1CC1 ZINC001420193475 907009274 /nfs/dbraw/zinc/00/92/74/907009274.db2.gz UTMIREWDCGEIMY-ZDUSSCGKSA-N 2 2 296.415 -0.345 20 0 CBADLP C[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)CC(=O)NCC1CC1 ZINC001420193475 907009290 /nfs/dbraw/zinc/00/92/90/907009290.db2.gz UTMIREWDCGEIMY-ZDUSSCGKSA-N 2 2 296.415 -0.345 20 0 CBADLP Cc1cnc(C[NH2+]C[C@H](O)CNC(=O)C[N@@H+](C)C(C)C)o1 ZINC001420217044 907023269 /nfs/dbraw/zinc/02/32/69/907023269.db2.gz RPNQMSKUHLCQGV-LBPRGKRZSA-N 2 2 298.387 -0.110 20 0 CBADLP Cc1cnc(C[NH2+]C[C@H](O)CNC(=O)C[N@H+](C)C(C)C)o1 ZINC001420217044 907023282 /nfs/dbraw/zinc/02/32/82/907023282.db2.gz RPNQMSKUHLCQGV-LBPRGKRZSA-N 2 2 298.387 -0.110 20 0 CBADLP CCN(CC[NH2+][C@@H]1CCNC1=O)C(=O)Cc1[nH]cc[nH+]1 ZINC001420233151 907030623 /nfs/dbraw/zinc/03/06/23/907030623.db2.gz HFMCYEBOYZYPDK-SNVBAGLBSA-N 2 2 279.344 -0.721 20 0 CBADLP CCN(CC[NH2+][C@@H](C)C(N)=O)C(=O)Cc1c[nH+]cn1C ZINC001420238492 907036881 /nfs/dbraw/zinc/03/68/81/907036881.db2.gz DJQLVPDGNZPCRK-JTQLQIEISA-N 2 2 281.360 -0.726 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NCC[N@@H+](C)[C@@H](C)C(=O)N(C)C ZINC001420267172 907053087 /nfs/dbraw/zinc/05/30/87/907053087.db2.gz BAQZBHABDLZPJZ-LBPRGKRZSA-N 2 2 295.387 -0.284 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NCC[N@H+](C)[C@@H](C)C(=O)N(C)C ZINC001420267172 907053101 /nfs/dbraw/zinc/05/31/01/907053101.db2.gz BAQZBHABDLZPJZ-LBPRGKRZSA-N 2 2 295.387 -0.284 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001420295078 907077466 /nfs/dbraw/zinc/07/74/66/907077466.db2.gz FINQGBRDYNJWDB-ZDUSSCGKSA-N 2 2 298.431 -0.099 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001420295078 907077483 /nfs/dbraw/zinc/07/74/83/907077483.db2.gz FINQGBRDYNJWDB-ZDUSSCGKSA-N 2 2 298.431 -0.099 20 0 CBADLP CC(C)NC(=O)C[NH+](C)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001420295078 907077500 /nfs/dbraw/zinc/07/75/00/907077500.db2.gz FINQGBRDYNJWDB-ZDUSSCGKSA-N 2 2 298.431 -0.099 20 0 CBADLP CC(C)NC(=O)C[NH+](C)CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001420295078 907077517 /nfs/dbraw/zinc/07/75/17/907077517.db2.gz FINQGBRDYNJWDB-ZDUSSCGKSA-N 2 2 298.431 -0.099 20 0 CBADLP C[C@H](C[NH2+][C@@H]1CCCNC1=O)NC(=O)Cc1c[nH]c[nH+]1 ZINC001420346081 907113337 /nfs/dbraw/zinc/11/33/37/907113337.db2.gz PGKRZZGZUYUDSR-MWLCHTKSSA-N 2 2 279.344 -0.675 20 0 CBADLP CC[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1nc(=O)n(C)[nH]1)[NH+](C)C ZINC001420434028 907160241 /nfs/dbraw/zinc/16/02/41/907160241.db2.gz OTOCBKVSLRHMHJ-VHSXEESVSA-N 2 2 298.391 -0.957 20 0 CBADLP C[C@@H](C[NH2+][C@@H]1CCN(C)C1=O)NC(=O)CCn1cc[nH+]c1 ZINC001420448798 907165191 /nfs/dbraw/zinc/16/51/91/907165191.db2.gz VHSSANWMEXZFRO-NWDGAFQWSA-N 2 2 293.371 -0.402 20 0 CBADLP CNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001420496917 907183565 /nfs/dbraw/zinc/18/35/65/907183565.db2.gz VNVISGGVGIMUDD-LBPRGKRZSA-N 2 2 282.388 -0.591 20 0 CBADLP CNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001420496917 907183572 /nfs/dbraw/zinc/18/35/72/907183572.db2.gz VNVISGGVGIMUDD-LBPRGKRZSA-N 2 2 282.388 -0.591 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001420559093 907212449 /nfs/dbraw/zinc/21/24/49/907212449.db2.gz VADNQCOEZNDIKP-QWRGUYRKSA-N 2 2 293.371 -0.427 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001420559093 907212469 /nfs/dbraw/zinc/21/24/69/907212469.db2.gz VADNQCOEZNDIKP-QWRGUYRKSA-N 2 2 293.371 -0.427 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[N@H+](C)[C@H](C)C(N)=O ZINC001420602410 907231034 /nfs/dbraw/zinc/23/10/34/907231034.db2.gz AXRVVLNXJDBGCA-MWLCHTKSSA-N 2 2 281.360 -0.498 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[N@@H+](C)[C@H](C)C(N)=O ZINC001420602410 907231053 /nfs/dbraw/zinc/23/10/53/907231053.db2.gz AXRVVLNXJDBGCA-MWLCHTKSSA-N 2 2 281.360 -0.498 20 0 CBADLP C[C@@H](C[N@H+](C)[C@@H](C)C(N)=O)NC(=O)CCn1cc[nH+]c1 ZINC001420608059 907238959 /nfs/dbraw/zinc/23/89/59/907238959.db2.gz AWOMKLLNBJBPTR-QWRGUYRKSA-N 2 2 281.360 -0.417 20 0 CBADLP C[C@@H](C[N@@H+](C)[C@@H](C)C(N)=O)NC(=O)CCn1cc[nH+]c1 ZINC001420608059 907238977 /nfs/dbraw/zinc/23/89/77/907238977.db2.gz AWOMKLLNBJBPTR-QWRGUYRKSA-N 2 2 281.360 -0.417 20 0 CBADLP CC[C@H]([NH2+]CCN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1)C(N)=O ZINC001420732308 907283605 /nfs/dbraw/zinc/28/36/05/907283605.db2.gz UMUBDCOLNDXCCG-JTQLQIEISA-N 2 2 295.387 -0.001 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N[C@H](C[NH2+][C@@H]1CCNC1=O)C1CC1 ZINC001420794779 907306337 /nfs/dbraw/zinc/30/63/37/907306337.db2.gz SLASUPSLBHLTBA-GHMZBOCLSA-N 2 2 291.355 -0.675 20 0 CBADLP CCC[N@H+](C)CC(=O)NC[C@H]1CC[NH+]1[C@H]1CCN(C)C1=O ZINC001420896016 907342194 /nfs/dbraw/zinc/34/21/94/907342194.db2.gz PIUYNPVFJADMBL-OLZOCXBDSA-N 2 2 296.415 -0.251 20 0 CBADLP CCC[N@@H+](C)CC(=O)NC[C@H]1CC[NH+]1[C@H]1CCN(C)C1=O ZINC001420896016 907342212 /nfs/dbraw/zinc/34/22/12/907342212.db2.gz PIUYNPVFJADMBL-OLZOCXBDSA-N 2 2 296.415 -0.251 20 0 CBADLP CCC[NH+](C)CC(=O)NC[C@H]1CC[N@@H+]1[C@H]1CCN(C)C1=O ZINC001420896016 907342228 /nfs/dbraw/zinc/34/22/28/907342228.db2.gz PIUYNPVFJADMBL-OLZOCXBDSA-N 2 2 296.415 -0.251 20 0 CBADLP CCC[NH+](C)CC(=O)NC[C@H]1CC[N@H+]1[C@H]1CCN(C)C1=O ZINC001420896016 907342240 /nfs/dbraw/zinc/34/22/40/907342240.db2.gz PIUYNPVFJADMBL-OLZOCXBDSA-N 2 2 296.415 -0.251 20 0 CBADLP CC[N@H+](C)CCC(=O)NCC1([NH2+]Cc2nnnn2C)CC1 ZINC001420990952 907384044 /nfs/dbraw/zinc/38/40/44/907384044.db2.gz IKNHMNADHXJEIA-UHFFFAOYSA-N 2 2 295.391 -0.710 20 0 CBADLP CC[N@@H+](C)CCC(=O)NCC1([NH2+]Cc2nnnn2C)CC1 ZINC001420990952 907384056 /nfs/dbraw/zinc/38/40/56/907384056.db2.gz IKNHMNADHXJEIA-UHFFFAOYSA-N 2 2 295.391 -0.710 20 0 CBADLP COC[C@@H](O)C[NH+]1CC(NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001421055037 907410031 /nfs/dbraw/zinc/41/00/31/907410031.db2.gz RXYUTKRVPAQYDX-KGLIPLIRSA-N 2 2 299.415 -0.332 20 0 CBADLP COC[C@@H](O)C[NH+]1CC(NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001421055037 907410048 /nfs/dbraw/zinc/41/00/48/907410048.db2.gz RXYUTKRVPAQYDX-KGLIPLIRSA-N 2 2 299.415 -0.332 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]C[C@@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001421119360 907433438 /nfs/dbraw/zinc/43/34/38/907433438.db2.gz UHYRIWFCTHFTAP-QWRGUYRKSA-N 2 2 293.371 -0.333 20 0 CBADLP CC[C@H]([NH2+]C[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1)C(N)=O ZINC001421131041 907440256 /nfs/dbraw/zinc/44/02/56/907440256.db2.gz AQCRLHWRWSIASS-NEPJUHHUSA-N 2 2 293.371 -0.203 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CC(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001421147309 907442888 /nfs/dbraw/zinc/44/28/88/907442888.db2.gz BJILYPXGWZADKZ-LLVKDONJSA-N 2 2 296.415 -0.217 20 0 CBADLP CC[C@@H](C(N)=O)[NH+]1CC(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001421144563 907444020 /nfs/dbraw/zinc/44/40/20/907444020.db2.gz NXQXRACFOGXOIS-LBPRGKRZSA-N 2 2 293.371 -0.497 20 0 CBADLP CNC(=O)C[NH+]1CC(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001421182816 907450698 /nfs/dbraw/zinc/45/06/98/907450698.db2.gz UAEBNEOPIBGORX-NSHDSACASA-N 2 2 282.388 -0.878 20 0 CBADLP CNC(=O)C[NH+]1CC(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001421182816 907450708 /nfs/dbraw/zinc/45/07/08/907450708.db2.gz UAEBNEOPIBGORX-NSHDSACASA-N 2 2 282.388 -0.878 20 0 CBADLP NC(=O)C[NH2+]C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C1CCCC1 ZINC001421169047 907454253 /nfs/dbraw/zinc/45/42/53/907454253.db2.gz KMMTYQYRAAQRAV-LLVKDONJSA-N 2 2 293.371 -0.298 20 0 CBADLP O=C(NCC1(O)C[NH+](CCCO)C1)C12CCC[NH+]1CCC2 ZINC001421451816 907549823 /nfs/dbraw/zinc/54/98/23/907549823.db2.gz IGATYDHBDRMJPK-UHFFFAOYSA-N 2 2 297.399 -0.840 20 0 CBADLP COC[C@@H](C)[NH+]1CC(O)(CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001421481500 907564195 /nfs/dbraw/zinc/56/41/95/907564195.db2.gz IYEZXHLGTCOSFV-QWHCGFSZSA-N 2 2 299.415 -0.474 20 0 CBADLP COC[C@@H](C)[NH+]1CC(O)(CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001421481500 907564200 /nfs/dbraw/zinc/56/42/00/907564200.db2.gz IYEZXHLGTCOSFV-QWHCGFSZSA-N 2 2 299.415 -0.474 20 0 CBADLP C[C@@H]([NH2+]C[C@H]1CCCN1C(=O)Cc1c[nH+]cn1C)C(N)=O ZINC001421668084 907605002 /nfs/dbraw/zinc/60/50/02/907605002.db2.gz UORIXWUVTWIDMP-GHMZBOCLSA-N 2 2 293.371 -0.583 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H](C)C[NH2+]CC(N)=O ZINC001421757459 907637628 /nfs/dbraw/zinc/63/76/28/907637628.db2.gz RDCXITCSQISUSJ-NXEZZACHSA-N 2 2 281.360 -0.585 20 0 CBADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H](C)C[NH2+]CC(N)=O ZINC001421757459 907637640 /nfs/dbraw/zinc/63/76/40/907637640.db2.gz RDCXITCSQISUSJ-NXEZZACHSA-N 2 2 281.360 -0.585 20 0 CBADLP CC[N@H+](C)CCC(=O)NC[C@H]1C[NH+](CCO)CCO1 ZINC001421797645 907648330 /nfs/dbraw/zinc/64/83/30/907648330.db2.gz IHHOAJWZUBKFRQ-LBPRGKRZSA-N 2 2 273.377 -0.863 20 0 CBADLP CC[N@@H+](C)CCC(=O)NC[C@H]1C[NH+](CCO)CCO1 ZINC001421797645 907648331 /nfs/dbraw/zinc/64/83/31/907648331.db2.gz IHHOAJWZUBKFRQ-LBPRGKRZSA-N 2 2 273.377 -0.863 20 0 CBADLP CC[NH+](C)CCC(=O)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001421797645 907648335 /nfs/dbraw/zinc/64/83/35/907648335.db2.gz IHHOAJWZUBKFRQ-LBPRGKRZSA-N 2 2 273.377 -0.863 20 0 CBADLP CC[NH+](C)CCC(=O)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001421797645 907648340 /nfs/dbraw/zinc/64/83/40/907648340.db2.gz IHHOAJWZUBKFRQ-LBPRGKRZSA-N 2 2 273.377 -0.863 20 0 CBADLP O=C(C[NH+]1CCCC1)NC[C@@H]1CCC2(C[NH+](CCO)C2)O1 ZINC001421917370 907678020 /nfs/dbraw/zinc/67/80/20/907678020.db2.gz PFNOERFQYQRIGU-ZDUSSCGKSA-N 2 2 297.399 -0.576 20 0 CBADLP C[NH+](C)CCC(=O)N[C@H]1COC2(C[NH+](CCCO)C2)C1 ZINC001421927577 907681092 /nfs/dbraw/zinc/68/10/92/907681092.db2.gz JCYXLWWDWVBURU-GFCCVEGCSA-N 2 2 285.388 -0.720 20 0 CBADLP CC(C)C[C@H](C[NH2+]CC(N)=O)NC(=O)Cc1[nH]cc[nH+]1 ZINC001422021200 907703615 /nfs/dbraw/zinc/70/36/15/907703615.db2.gz UTNNFFXJDKZUPV-SNVBAGLBSA-N 2 2 281.360 -0.442 20 0 CBADLP CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)Cn1cc[nH+]c1 ZINC001422004409 907703764 /nfs/dbraw/zinc/70/37/64/907703764.db2.gz NTJJDBDPSDWWPI-LLVKDONJSA-N 2 2 281.360 -0.544 20 0 CBADLP CN(CC[N@H+](C)CC(N)=O)C(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001422213596 907746873 /nfs/dbraw/zinc/74/68/73/907746873.db2.gz JTZSWIWUOHMKSD-CHWSQXEVSA-N 2 2 296.415 -0.121 20 0 CBADLP CN(CC[N@@H+](C)CC(N)=O)C(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001422213596 907746879 /nfs/dbraw/zinc/74/68/79/907746879.db2.gz JTZSWIWUOHMKSD-CHWSQXEVSA-N 2 2 296.415 -0.121 20 0 CBADLP CN(CC[NH+](C)CC(N)=O)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001422213596 907746893 /nfs/dbraw/zinc/74/68/93/907746893.db2.gz JTZSWIWUOHMKSD-CHWSQXEVSA-N 2 2 296.415 -0.121 20 0 CBADLP CN(CC[NH+](C)CC(N)=O)C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001422213596 907746899 /nfs/dbraw/zinc/74/68/99/907746899.db2.gz JTZSWIWUOHMKSD-CHWSQXEVSA-N 2 2 296.415 -0.121 20 0 CBADLP CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ncc(C)o1)[NH+](C)C ZINC001422366583 907827610 /nfs/dbraw/zinc/82/76/10/907827610.db2.gz ZXGHTWQNJONMHT-RYUDHWBXSA-N 2 2 298.387 -0.110 20 0 CBADLP C[C@@H](CC[NH2+][C@@H](C)C(N)=O)NC(=O)CCc1c[nH]c[nH+]1 ZINC001422420675 907850704 /nfs/dbraw/zinc/85/07/04/907850704.db2.gz QWDQMTKJTLYWSJ-UWVGGRQHSA-N 2 2 281.360 -0.300 20 0 CBADLP C[C@@H](CC[NH2+][C@@H](C)C(N)=O)NC(=O)CCc1c[nH+]c[nH]1 ZINC001422420675 907850715 /nfs/dbraw/zinc/85/07/15/907850715.db2.gz QWDQMTKJTLYWSJ-UWVGGRQHSA-N 2 2 281.360 -0.300 20 0 CBADLP C[C@H](C[NH2+]CC(N)=O)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001422519205 907904240 /nfs/dbraw/zinc/90/42/40/907904240.db2.gz VBZTZISUKHCRBM-ZJUUUORDSA-N 2 2 279.344 -0.975 20 0 CBADLP CC(C)NC(=O)C[NH2+]C[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001422529946 907906939 /nfs/dbraw/zinc/90/69/39/907906939.db2.gz QEIMPVLBVXJNAI-GFCCVEGCSA-N 2 2 295.387 -0.108 20 0 CBADLP CNC(=O)[C@H](C)[N@H+](C)[C@@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001422542073 907913289 /nfs/dbraw/zinc/91/32/89/907913289.db2.gz VWFBJQYVZHSYPW-RYUDHWBXSA-N 2 2 295.387 -0.156 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001422542073 907913300 /nfs/dbraw/zinc/91/33/00/907913300.db2.gz VWFBJQYVZHSYPW-RYUDHWBXSA-N 2 2 295.387 -0.156 20 0 CBADLP CC[C@@H](C)NC(=O)C[NH2+]C[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001422573521 907931889 /nfs/dbraw/zinc/93/18/89/907931889.db2.gz VOIAIVRVEBTSRN-GHMZBOCLSA-N 2 2 295.387 -0.039 20 0 CBADLP Cc1nnc(C[NH2+]C[C@@H](C)NC(=O)Cn2cc[nH+]c2C)[nH]1 ZINC001422618581 907946008 /nfs/dbraw/zinc/94/60/08/907946008.db2.gz YYCZLTWAEJWVCD-SECBINFHSA-N 2 2 291.359 -0.087 20 0 CBADLP Cc1nocc1C[NH2+]C[C@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001422632067 907952761 /nfs/dbraw/zinc/95/27/61/907952761.db2.gz IGARUSRKAVGKFL-GXFFZTMASA-N 2 2 296.371 -0.092 20 0 CBADLP Cc1nocc1C[NH2+]C[C@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001422632067 907952774 /nfs/dbraw/zinc/95/27/74/907952774.db2.gz IGARUSRKAVGKFL-GXFFZTMASA-N 2 2 296.371 -0.092 20 0 CBADLP CO[C@H](C)C[NH+]1CC(CCO)(NC(=O)CC[NH+](C)C)C1 ZINC001422645123 907963583 /nfs/dbraw/zinc/96/35/83/907963583.db2.gz WCXUKFGWUXOGTO-GFCCVEGCSA-N 2 2 287.404 -0.474 20 0 CBADLP C[C@@H](C[NH2+]CC(=O)N(C)C)NC(=O)CCc1c[nH+]cn1C ZINC001422737040 907988549 /nfs/dbraw/zinc/98/85/49/907988549.db2.gz SOHIGVIONZXNRN-NSHDSACASA-N 2 2 295.387 -0.465 20 0 CBADLP C[C@@H](C[NH2+]CC(=O)N(C)C)NC(=O)CCCn1cc[nH+]c1 ZINC001422756984 907992310 /nfs/dbraw/zinc/99/23/10/907992310.db2.gz HYMCGSWXXUGMQW-LBPRGKRZSA-N 2 2 295.387 -0.154 20 0 CBADLP CC[C@@H](C(=O)N[C@H]1C[N@H+](CC(=O)NC)CC1(C)C)[NH+](C)C ZINC001422812793 908023308 /nfs/dbraw/zinc/02/33/08/908023308.db2.gz WCBWMZVYTZAJPT-RYUDHWBXSA-N 2 2 298.431 -0.101 20 0 CBADLP CC[C@@H](C(=O)N[C@H]1C[N@@H+](CC(=O)NC)CC1(C)C)[NH+](C)C ZINC001422812793 908023325 /nfs/dbraw/zinc/02/33/25/908023325.db2.gz WCBWMZVYTZAJPT-RYUDHWBXSA-N 2 2 298.431 -0.101 20 0 CBADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@@H](C[NH2+]CC(N)=O)C1CC1 ZINC001422981036 908070131 /nfs/dbraw/zinc/07/01/31/908070131.db2.gz COCGZLBWRJVWJD-NSHDSACASA-N 2 2 279.344 -0.736 20 0 CBADLP CN(C(=O)Cc1c[nH+]cn1C)[C@@H](C[NH2+]CC(N)=O)C1CC1 ZINC001422995471 908075941 /nfs/dbraw/zinc/07/59/41/908075941.db2.gz OYZZTDZXNRTECQ-LBPRGKRZSA-N 2 2 293.371 -0.726 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]C[C@H](NC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001423029897 908081924 /nfs/dbraw/zinc/08/19/24/908081924.db2.gz XBJPETBDLPBOSX-CABZTGNLSA-N 2 2 293.371 -0.429 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001423029899 908083819 /nfs/dbraw/zinc/08/38/19/908083819.db2.gz XBJPETBDLPBOSX-JOYOIKCWSA-N 2 2 293.371 -0.429 20 0 CBADLP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+]1CC(=O)N1CCC1 ZINC001423117823 908113257 /nfs/dbraw/zinc/11/32/57/908113257.db2.gz STNYFUHESUQOHD-LBPRGKRZSA-N 2 2 282.388 -0.639 20 0 CBADLP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+]1CC(=O)N1CCC1 ZINC001423117823 908113271 /nfs/dbraw/zinc/11/32/71/908113271.db2.gz STNYFUHESUQOHD-LBPRGKRZSA-N 2 2 282.388 -0.639 20 0 CBADLP C[C@@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)[NH2+][C@H]1CCNC1=O ZINC001423129498 908116624 /nfs/dbraw/zinc/11/66/24/908116624.db2.gz GUXPBHKDLZFDOP-ONGXEEELSA-N 2 2 279.344 -0.723 20 0 CBADLP C[C@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)[NH2+][C@H]1CCCNC1=O ZINC001423143501 908116971 /nfs/dbraw/zinc/11/69/71/908116971.db2.gz VXWPPNVEWKSOHK-PWSUYJOCSA-N 2 2 293.371 -0.333 20 0 CBADLP COC[C@@H](O)C[NH2+][C@@H](C)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001423138660 908117004 /nfs/dbraw/zinc/11/70/04/908117004.db2.gz OKYSUWSVSNBSOZ-JQWIXIFHSA-N 2 2 284.360 -0.604 20 0 CBADLP CCN(C)C(=O)C[N@@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)CC ZINC001423137016 908117967 /nfs/dbraw/zinc/11/79/67/908117967.db2.gz JICSHQDVGLYFBB-CYBMUJFWSA-N 2 2 298.431 -0.003 20 0 CBADLP CCN(C)C(=O)C[N@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)CC ZINC001423137016 908117974 /nfs/dbraw/zinc/11/79/74/908117974.db2.gz JICSHQDVGLYFBB-CYBMUJFWSA-N 2 2 298.431 -0.003 20 0 CBADLP CCN(C)C(=O)C[NH+]1CC[C@@H]1CNC(=O)CC[N@H+](C)CC ZINC001423137016 908117984 /nfs/dbraw/zinc/11/79/84/908117984.db2.gz JICSHQDVGLYFBB-CYBMUJFWSA-N 2 2 298.431 -0.003 20 0 CBADLP CCN(C)C(=O)C[NH+]1CC[C@@H]1CNC(=O)CC[N@@H+](C)CC ZINC001423137016 908117988 /nfs/dbraw/zinc/11/79/88/908117988.db2.gz JICSHQDVGLYFBB-CYBMUJFWSA-N 2 2 298.431 -0.003 20 0 CBADLP C[C@H](CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1)[NH2+][C@@H](C)C(N)=O ZINC001423145767 908118949 /nfs/dbraw/zinc/11/89/49/908118949.db2.gz HQCQIJOGSYGORD-ZJUUUORDSA-N 2 2 295.387 -0.002 20 0 CBADLP C[C@@H]([NH2+][C@@H](C)CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1)C(N)=O ZINC001423145762 908119009 /nfs/dbraw/zinc/11/90/09/908119009.db2.gz HQCQIJOGSYGORD-VHSXEESVSA-N 2 2 295.387 -0.002 20 0 CBADLP CCC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001423224050 908165054 /nfs/dbraw/zinc/16/50/54/908165054.db2.gz BEWKEQUQEWVNRI-NEPJUHHUSA-N 2 2 280.372 -0.078 20 0 CBADLP C[C@H](CC(=O)NCC1([NH2+]CC(N)=O)CC1)n1cc[nH+]c1 ZINC001423274932 908184965 /nfs/dbraw/zinc/18/49/65/908184965.db2.gz UWUBJCSXPJQPBD-SNVBAGLBSA-N 2 2 279.344 -0.442 20 0 CBADLP C[C@@H](F)CC[NH2+][C@@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001423308468 908199271 /nfs/dbraw/zinc/19/92/71/908199271.db2.gz JGZUZPZAUASDKS-GHMZBOCLSA-N 2 2 272.324 -0.302 20 0 CBADLP Cc1conc1C[NH2+][C@H](CO)CNC(=O)C[N@@H+](C)C(C)C ZINC001423307034 908199630 /nfs/dbraw/zinc/19/96/30/908199630.db2.gz YGDLSQBKTWRYCN-LBPRGKRZSA-N 2 2 298.387 -0.110 20 0 CBADLP Cc1conc1C[NH2+][C@H](CO)CNC(=O)C[N@H+](C)C(C)C ZINC001423307034 908199639 /nfs/dbraw/zinc/19/96/39/908199639.db2.gz YGDLSQBKTWRYCN-LBPRGKRZSA-N 2 2 298.387 -0.110 20 0 CBADLP COCC[NH+]1CC(N(C)C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001423437197 908235902 /nfs/dbraw/zinc/23/59/02/908235902.db2.gz OFQHNOSORIBSBR-CYBMUJFWSA-N 2 2 299.415 -0.256 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC[C@]1(O)CC[N@H+](CCCF)C1 ZINC001423797414 908334310 /nfs/dbraw/zinc/33/43/10/908334310.db2.gz NKZROETWLAOQCN-CYBMUJFWSA-N 2 2 284.335 -0.135 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC[C@]1(O)CC[N@@H+](CCCF)C1 ZINC001423797414 908334327 /nfs/dbraw/zinc/33/43/27/908334327.db2.gz NKZROETWLAOQCN-CYBMUJFWSA-N 2 2 284.335 -0.135 20 0 CBADLP CO[C@H](C)C[NH+]1CC(O)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001423867962 908359757 /nfs/dbraw/zinc/35/97/57/908359757.db2.gz HEHIYLOVQCVOAV-GFCCVEGCSA-N 2 2 299.415 -0.474 20 0 CBADLP COC[C@@H](C)[NH+]1CC(O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001423884559 908365605 /nfs/dbraw/zinc/36/56/05/908365605.db2.gz QONYZDXXVBWOLP-GFCCVEGCSA-N 2 2 287.404 -0.474 20 0 CBADLP C[C@@H](F)CC[NH+]1CC(O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001423905140 908367370 /nfs/dbraw/zinc/36/73/70/908367370.db2.gz JUTDKNMEMXYEJA-GFCCVEGCSA-N 2 2 299.390 -0.007 20 0 CBADLP O=C(Cn1cc[nH+]c1)NCC1(O)C[NH+](C[C@H]2CCOC2)C1 ZINC001423917744 908369898 /nfs/dbraw/zinc/36/98/98/908369898.db2.gz CWIHTJFEKVSSIM-GFCCVEGCSA-N 2 2 294.355 -0.918 20 0 CBADLP CC[NH+](CC)C[C@@H](C)NS(=O)(=O)N1CC[NH+](C)CC1 ZINC001423943683 908374115 /nfs/dbraw/zinc/37/41/15/908374115.db2.gz RSQVMWPHUFFCTK-GFCCVEGCSA-N 2 2 292.449 -0.202 20 0 CBADLP C[C@H](NC(=O)CC[NH+](C)C)[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001423980471 908377424 /nfs/dbraw/zinc/37/74/24/908377424.db2.gz WLRIFXQOPDFXTG-QWRGUYRKSA-N 2 2 295.387 -0.087 20 0 CBADLP CCC[N@@H+]1CCC[C@](CO)(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001424027877 908390488 /nfs/dbraw/zinc/39/04/88/908390488.db2.gz NHEDKMJGOBLSRC-ZFWWWQNUSA-N 2 2 299.415 -0.330 20 0 CBADLP CCC[N@H+]1CCC[C@](CO)(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001424027877 908390502 /nfs/dbraw/zinc/39/05/02/908390502.db2.gz NHEDKMJGOBLSRC-ZFWWWQNUSA-N 2 2 299.415 -0.330 20 0 CBADLP CCC[NH+]1CCC[C@](CO)(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001424027877 908390513 /nfs/dbraw/zinc/39/05/13/908390513.db2.gz NHEDKMJGOBLSRC-ZFWWWQNUSA-N 2 2 299.415 -0.330 20 0 CBADLP CCC[NH+]1CCC[C@](CO)(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001424027877 908390525 /nfs/dbraw/zinc/39/05/25/908390525.db2.gz NHEDKMJGOBLSRC-ZFWWWQNUSA-N 2 2 299.415 -0.330 20 0 CBADLP C[C@H]([NH2+]CC[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1)C(N)=O ZINC001424092312 908407301 /nfs/dbraw/zinc/40/73/01/908407301.db2.gz VNCHDAWDNHKGLJ-WDEREUQCSA-N 2 2 293.371 -0.346 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CCO[C@H](C[NH2+]C[C@@H](C)O)C1 ZINC001424233648 908430876 /nfs/dbraw/zinc/43/08/76/908430876.db2.gz ADEOCRDIBVBWCU-ZYHUDNBSSA-N 2 2 296.371 -0.542 20 0 CBADLP C[C@@H](O)C[NH2+]CC1(O)CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001424551092 908469322 /nfs/dbraw/zinc/46/93/22/908469322.db2.gz PSFVHIMBWINBKZ-LLVKDONJSA-N 2 2 296.371 -0.724 20 0 CBADLP CNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001424573081 908472135 /nfs/dbraw/zinc/47/21/35/908472135.db2.gz IOHFNLAHYFKJDG-HBNTYKKESA-N 2 2 293.371 -0.256 20 0 CBADLP CNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001424573081 908472142 /nfs/dbraw/zinc/47/21/42/908472142.db2.gz IOHFNLAHYFKJDG-HBNTYKKESA-N 2 2 293.371 -0.256 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N1CCC[C@H]1C[N@@H+](C)CC(N)=O ZINC001424701785 908490654 /nfs/dbraw/zinc/49/06/54/908490654.db2.gz JQAGOXJFRIVTHF-LBPRGKRZSA-N 2 2 293.371 -0.400 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N1CCC[C@H]1C[N@H+](C)CC(N)=O ZINC001424701785 908490661 /nfs/dbraw/zinc/49/06/61/908490661.db2.gz JQAGOXJFRIVTHF-LBPRGKRZSA-N 2 2 293.371 -0.400 20 0 CBADLP C[C@H](C(N)=O)[N@@H+](C)[C@@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC001425046929 908559090 /nfs/dbraw/zinc/55/90/90/908559090.db2.gz CLDUIPRVSPMUNA-WDEREUQCSA-N 2 2 295.387 -0.337 20 0 CBADLP C[C@H](C(N)=O)[N@H+](C)[C@@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC001425046929 908559100 /nfs/dbraw/zinc/55/91/00/908559100.db2.gz CLDUIPRVSPMUNA-WDEREUQCSA-N 2 2 295.387 -0.337 20 0 CBADLP C[C@H](CC(=O)N[C@H]1C[C@H](C[NH2+]CC(N)=O)C1)n1cc[nH+]c1 ZINC001425416583 908643470 /nfs/dbraw/zinc/64/34/70/908643470.db2.gz DFWICQCOWPDHKB-IJLUTSLNSA-N 2 2 293.371 -0.196 20 0 CBADLP COC[C@@H](O)C[NH2+][C@H](C)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001425674191 908690024 /nfs/dbraw/zinc/69/00/24/908690024.db2.gz TWWUYFOVIVIQDE-MNOVXSKESA-N 2 2 284.360 -0.604 20 0 CBADLP NC(=O)C[NH2+]CC1CC(NC(=O)CCn2cc[nH+]c2)C1 ZINC001505510298 921433621 /nfs/dbraw/zinc/43/36/21/921433621.db2.gz HUCMJWYVGLFNCT-UHFFFAOYSA-N 2 2 279.344 -0.757 20 0 CBADLP O=C(CCn1cc[nH+]c1)NC[C@H](CO)[NH2+]C[C@H]1CCOC1 ZINC001425773889 908735674 /nfs/dbraw/zinc/73/56/74/908735674.db2.gz KCDUKJJZXBHDDL-CHWSQXEVSA-N 2 2 296.371 -0.624 20 0 CBADLP O=C(C[NH+]1CCCC1)NC[C@H](CO)[NH2+]Cc1nccs1 ZINC001425835304 908758474 /nfs/dbraw/zinc/75/84/74/908758474.db2.gz IAIZKTVWEMJBNO-LLVKDONJSA-N 2 2 298.412 -0.194 20 0 CBADLP CO[C@H](C)C[NH2+]C[C@H](O)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001426031064 908805183 /nfs/dbraw/zinc/80/51/83/908805183.db2.gz MDCHIXJQUOZMFW-YPMHNXCESA-N 2 2 298.387 -0.594 20 0 CBADLP CO[C@H](C)C[N@H+](C)C[C@@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001426101719 908832055 /nfs/dbraw/zinc/83/20/55/908832055.db2.gz OCHITHYYJSDBSH-DGCLKSJQSA-N 2 2 298.387 -0.262 20 0 CBADLP CO[C@H](C)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001426101719 908832066 /nfs/dbraw/zinc/83/20/66/908832066.db2.gz OCHITHYYJSDBSH-DGCLKSJQSA-N 2 2 298.387 -0.262 20 0 CBADLP C[C@H](NC(=O)Cc1c[nH]c[nH+]1)[C@H](C)[NH2+]CC(=O)N(C)C ZINC001505699374 921467812 /nfs/dbraw/zinc/46/78/12/921467812.db2.gz WPKRHQFPLANVJU-UWVGGRQHSA-N 2 2 281.360 -0.477 20 0 CBADLP CN(CCNC(=O)Cn1cc[nH+]c1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001429340858 909229107 /nfs/dbraw/zinc/22/91/07/909229107.db2.gz WYYJPIAKYTXKIU-GFCCVEGCSA-N 2 2 293.371 -0.591 20 0 CBADLP CN(CCNC(=O)Cn1cc[nH+]c1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001429340858 909229120 /nfs/dbraw/zinc/22/91/20/909229120.db2.gz WYYJPIAKYTXKIU-GFCCVEGCSA-N 2 2 293.371 -0.591 20 0 CBADLP CC[C@H](C(=O)N(C)CCNC(=O)Cc1c[nH]c[nH+]1)[NH+](C)C ZINC001429517793 909251788 /nfs/dbraw/zinc/25/17/88/909251788.db2.gz HRUWKJWFVJNKDF-GFCCVEGCSA-N 2 2 295.387 -0.133 20 0 CBADLP CC(=O)N1CC[NH+](CCN(C)C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001430067050 909287528 /nfs/dbraw/zinc/28/75/28/909287528.db2.gz UCQHWZXOFWRORQ-AWEZNQCLSA-N 2 2 296.415 -0.439 20 0 CBADLP CC(=O)N1CC[NH+](CCN(C)C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001430067050 909287544 /nfs/dbraw/zinc/28/75/44/909287544.db2.gz UCQHWZXOFWRORQ-AWEZNQCLSA-N 2 2 296.415 -0.439 20 0 CBADLP CN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)Cc1c[nH+]c[nH]1 ZINC001431265888 909441853 /nfs/dbraw/zinc/44/18/53/909441853.db2.gz VVUFFXUMDRISST-LLVKDONJSA-N 2 2 293.371 -0.522 20 0 CBADLP CN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)Cc1c[nH+]c[nH]1 ZINC001431265888 909441868 /nfs/dbraw/zinc/44/18/68/909441868.db2.gz VVUFFXUMDRISST-LLVKDONJSA-N 2 2 293.371 -0.522 20 0 CBADLP CC[NH+](CC)CC(=O)N1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC001432281562 909601284 /nfs/dbraw/zinc/60/12/84/909601284.db2.gz PCKZJSAUGORFIV-UHFFFAOYSA-N 2 2 293.371 -0.448 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@]3(O)CCOC3)C2)CC1 ZINC001433667432 909810040 /nfs/dbraw/zinc/81/00/40/909810040.db2.gz AFUUCHYXPWSJQL-IUODEOHRSA-N 2 2 297.399 -0.578 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@@]3(O)CCOC3)C2)CC1 ZINC001433667432 909810055 /nfs/dbraw/zinc/81/00/55/909810055.db2.gz AFUUCHYXPWSJQL-IUODEOHRSA-N 2 2 297.399 -0.578 20 0 CBADLP C[C@@H]1CC[N@H+](CC(=O)NCC[NH+]2CCC3(C2)OCCO3)C1 ZINC001434202245 910040272 /nfs/dbraw/zinc/04/02/72/910040272.db2.gz HXPODSGMJUKLOF-CYBMUJFWSA-N 2 2 297.399 -0.107 20 0 CBADLP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH+]2CCC3(C2)OCCO3)C1 ZINC001434202245 910040282 /nfs/dbraw/zinc/04/02/82/910040282.db2.gz HXPODSGMJUKLOF-CYBMUJFWSA-N 2 2 297.399 -0.107 20 0 CBADLP C[C@@H]1CC[NH+](CC(=O)NCC[N@@H+]2CCC3(C2)OCCO3)C1 ZINC001434202245 910040299 /nfs/dbraw/zinc/04/02/99/910040299.db2.gz HXPODSGMJUKLOF-CYBMUJFWSA-N 2 2 297.399 -0.107 20 0 CBADLP C[C@@H]1CC[NH+](CC(=O)NCC[N@H+]2CCC3(C2)OCCO3)C1 ZINC001434202245 910040316 /nfs/dbraw/zinc/04/03/16/910040316.db2.gz HXPODSGMJUKLOF-CYBMUJFWSA-N 2 2 297.399 -0.107 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NC1(CCO)C[NH+](CCCO)C1 ZINC001506107517 921546999 /nfs/dbraw/zinc/54/69/99/921546999.db2.gz INSFOPXHRGNBHY-UHFFFAOYSA-N 2 2 296.371 -0.873 20 0 CBADLP CCC[N@H+](C)CC(=O)N(C)C[C@@H]1CC[NH+]1[C@@H]1CCNC1=O ZINC001436324068 910427808 /nfs/dbraw/zinc/42/78/08/910427808.db2.gz AZIJIPHPACMRRP-QWHCGFSZSA-N 2 2 296.415 -0.251 20 0 CBADLP CCC[N@@H+](C)CC(=O)N(C)C[C@@H]1CC[NH+]1[C@@H]1CCNC1=O ZINC001436324068 910427816 /nfs/dbraw/zinc/42/78/16/910427816.db2.gz AZIJIPHPACMRRP-QWHCGFSZSA-N 2 2 296.415 -0.251 20 0 CBADLP CCC[NH+](C)CC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@@H]1CCNC1=O ZINC001436324068 910427826 /nfs/dbraw/zinc/42/78/26/910427826.db2.gz AZIJIPHPACMRRP-QWHCGFSZSA-N 2 2 296.415 -0.251 20 0 CBADLP CCC[NH+](C)CC(=O)N(C)C[C@@H]1CC[N@H+]1[C@@H]1CCNC1=O ZINC001436324068 910427834 /nfs/dbraw/zinc/42/78/34/910427834.db2.gz AZIJIPHPACMRRP-QWHCGFSZSA-N 2 2 296.415 -0.251 20 0 CBADLP CCC[N@H+](C)CC(=O)N(C)C[C@@H]1CC[NH+]1[C@H]1CCNC1=O ZINC001436324077 910428628 /nfs/dbraw/zinc/42/86/28/910428628.db2.gz AZIJIPHPACMRRP-STQMWFEESA-N 2 2 296.415 -0.251 20 0 CBADLP CCC[N@@H+](C)CC(=O)N(C)C[C@@H]1CC[NH+]1[C@H]1CCNC1=O ZINC001436324077 910428638 /nfs/dbraw/zinc/42/86/38/910428638.db2.gz AZIJIPHPACMRRP-STQMWFEESA-N 2 2 296.415 -0.251 20 0 CBADLP CCC[NH+](C)CC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@H]1CCNC1=O ZINC001436324077 910428651 /nfs/dbraw/zinc/42/86/51/910428651.db2.gz AZIJIPHPACMRRP-STQMWFEESA-N 2 2 296.415 -0.251 20 0 CBADLP CCC[NH+](C)CC(=O)N(C)C[C@@H]1CC[N@H+]1[C@H]1CCNC1=O ZINC001436324077 910428664 /nfs/dbraw/zinc/42/86/64/910428664.db2.gz AZIJIPHPACMRRP-STQMWFEESA-N 2 2 296.415 -0.251 20 0 CBADLP C[N@H+](CCO)C[C@@H]1CCCCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001436490955 910451437 /nfs/dbraw/zinc/45/14/37/910451437.db2.gz JPELIKFZUXRIBL-KBPBESRZSA-N 2 2 299.415 -0.378 20 0 CBADLP C[N@@H+](CCO)C[C@@H]1CCCCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001436490955 910451450 /nfs/dbraw/zinc/45/14/50/910451450.db2.gz JPELIKFZUXRIBL-KBPBESRZSA-N 2 2 299.415 -0.378 20 0 CBADLP C[NH+](CCO)C[C@@H]1CCCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001436490955 910451459 /nfs/dbraw/zinc/45/14/59/910451459.db2.gz JPELIKFZUXRIBL-KBPBESRZSA-N 2 2 299.415 -0.378 20 0 CBADLP C[NH+](CCO)C[C@@H]1CCCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001436490955 910451473 /nfs/dbraw/zinc/45/14/73/910451473.db2.gz JPELIKFZUXRIBL-KBPBESRZSA-N 2 2 299.415 -0.378 20 0 CBADLP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CC(=O)NCC)C1 ZINC001436742002 910475676 /nfs/dbraw/zinc/47/56/76/910475676.db2.gz HVLRRLGJSGYQHZ-GFCCVEGCSA-N 2 2 284.404 -0.345 20 0 CBADLP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](CC(=O)NCC)C1 ZINC001436742002 910475681 /nfs/dbraw/zinc/47/56/81/910475681.db2.gz HVLRRLGJSGYQHZ-GFCCVEGCSA-N 2 2 284.404 -0.345 20 0 CBADLP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+](CC(=O)NCC)C1 ZINC001436742002 910475686 /nfs/dbraw/zinc/47/56/86/910475686.db2.gz HVLRRLGJSGYQHZ-GFCCVEGCSA-N 2 2 284.404 -0.345 20 0 CBADLP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC)C1 ZINC001436742002 910475690 /nfs/dbraw/zinc/47/56/90/910475690.db2.gz HVLRRLGJSGYQHZ-GFCCVEGCSA-N 2 2 284.404 -0.345 20 0 CBADLP C[N@@H+](CC(N)=O)C[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001436847047 910491422 /nfs/dbraw/zinc/49/14/22/910491422.db2.gz KPQCHZAXOIBIMN-LLVKDONJSA-N 2 2 293.371 -0.392 20 0 CBADLP C[N@H+](CC(N)=O)C[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001436847047 910491433 /nfs/dbraw/zinc/49/14/33/910491433.db2.gz KPQCHZAXOIBIMN-LLVKDONJSA-N 2 2 293.371 -0.392 20 0 CBADLP C[N@@H+](CC(N)=O)C[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001436847058 910494355 /nfs/dbraw/zinc/49/43/55/910494355.db2.gz KPQCHZAXOIBIMN-NSHDSACASA-N 2 2 293.371 -0.392 20 0 CBADLP C[N@H+](CC(N)=O)C[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001436847058 910494361 /nfs/dbraw/zinc/49/43/61/910494361.db2.gz KPQCHZAXOIBIMN-NSHDSACASA-N 2 2 293.371 -0.392 20 0 CBADLP COC[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001436893376 910504943 /nfs/dbraw/zinc/50/49/43/910504943.db2.gz CRJRPCRRLXLMFH-AVGNSLFASA-N 2 2 296.371 -0.414 20 0 CBADLP COC[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001436893376 910504953 /nfs/dbraw/zinc/50/49/53/910504953.db2.gz CRJRPCRRLXLMFH-AVGNSLFASA-N 2 2 296.371 -0.414 20 0 CBADLP Cc1nnc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CCC[N@@H+]2C)[nH]1 ZINC001437132340 910561551 /nfs/dbraw/zinc/56/15/51/910561551.db2.gz XYMZZIDDDLHWRR-ONGXEEELSA-N 2 2 280.376 -0.198 20 0 CBADLP Cc1nnc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CCC[N@H+]2C)[nH]1 ZINC001437132340 910561567 /nfs/dbraw/zinc/56/15/67/910561567.db2.gz XYMZZIDDDLHWRR-ONGXEEELSA-N 2 2 280.376 -0.198 20 0 CBADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CC(=O)N1CCCC1 ZINC001437201251 910584075 /nfs/dbraw/zinc/58/40/75/910584075.db2.gz KRYUXPCCEYYBRD-LLVKDONJSA-N 2 2 293.371 -0.331 20 0 CBADLP CCN1CC[C@@H]([NH2+][C@@H](C)CNC(=O)Cc2c[nH]c[nH+]2)C1=O ZINC001437208267 910589106 /nfs/dbraw/zinc/58/91/06/910589106.db2.gz XVLQSIZYFDAOMX-CMPLNLGQSA-N 2 2 293.371 -0.333 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC[C@H](C)[NH2+]Cc1cn(C)nn1 ZINC001437259063 910601915 /nfs/dbraw/zinc/60/19/15/910601915.db2.gz IJEDMBBBJJPIPF-JTQLQIEISA-N 2 2 291.359 -0.385 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001437309758 910609097 /nfs/dbraw/zinc/60/90/97/910609097.db2.gz JBMQBVNKMDGZQI-JTQLQIEISA-N 2 2 279.344 -0.864 20 0 CBADLP C[C@H]([NH2+]C[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1)C(N)=O ZINC001437316946 910615320 /nfs/dbraw/zinc/61/53/20/910615320.db2.gz YSUIWCNKQCSIJD-WDEREUQCSA-N 2 2 293.371 -0.346 20 0 CBADLP C[C@H]([NH2+]C[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1)C(N)=O ZINC001437316946 910615332 /nfs/dbraw/zinc/61/53/32/910615332.db2.gz YSUIWCNKQCSIJD-WDEREUQCSA-N 2 2 293.371 -0.346 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001437312479 910615608 /nfs/dbraw/zinc/61/56/08/910615608.db2.gz OXKZXKRZSZYTOU-QWRGUYRKSA-N 2 2 293.371 -0.475 20 0 CBADLP C[C@H]([NH2+]C[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1)C(N)=O ZINC001437316939 910615854 /nfs/dbraw/zinc/61/58/54/910615854.db2.gz YSUIWCNKQCSIJD-QWRGUYRKSA-N 2 2 293.371 -0.346 20 0 CBADLP C[C@H]([NH2+]C[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1)C(N)=O ZINC001437316939 910615866 /nfs/dbraw/zinc/61/58/66/910615866.db2.gz YSUIWCNKQCSIJD-QWRGUYRKSA-N 2 2 293.371 -0.346 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+](C)CCNC(=O)Cc1c[nH+]cn1C ZINC001437540148 910679289 /nfs/dbraw/zinc/67/92/89/910679289.db2.gz ACTMZSRCRRYPGF-NSHDSACASA-N 2 2 281.360 -0.726 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)Cc1c[nH+]cn1C ZINC001437540148 910679302 /nfs/dbraw/zinc/67/93/02/910679302.db2.gz ACTMZSRCRRYPGF-NSHDSACASA-N 2 2 281.360 -0.726 20 0 CBADLP C[C@@H](NC(=O)Cc1c[nH+]cn1C)C1C[NH+](CCO)C1 ZINC001506661669 921600402 /nfs/dbraw/zinc/60/04/02/921600402.db2.gz CTYLFPMHOUJTBR-SNVBAGLBSA-N 2 2 266.345 -0.609 20 0 CBADLP CC[N@H+](C)CCC(=O)N[C@@H](C)C1C[NH+](CC(=O)NC)C1 ZINC001506668546 921601639 /nfs/dbraw/zinc/60/16/39/921601639.db2.gz YLKYZYKSLOGSAA-NSHDSACASA-N 2 2 284.404 -0.489 20 0 CBADLP CC[N@@H+](C)CCC(=O)N[C@@H](C)C1C[NH+](CC(=O)NC)C1 ZINC001506668546 921601643 /nfs/dbraw/zinc/60/16/43/921601643.db2.gz YLKYZYKSLOGSAA-NSHDSACASA-N 2 2 284.404 -0.489 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N(C)CC[NH2+][C@@H]1CCCNC1=O ZINC001437855929 910770641 /nfs/dbraw/zinc/77/06/41/910770641.db2.gz LQDGWMZVVHCJPX-LLVKDONJSA-N 2 2 293.371 -0.413 20 0 CBADLP C[C@H]([NH2+]CCN(C)C(=O)Cn1cc[nH+]c1)C(=O)NC1CC1 ZINC001437862357 910772609 /nfs/dbraw/zinc/77/26/09/910772609.db2.gz XRYRMSHQTYRBFF-NSHDSACASA-N 2 2 293.371 -0.402 20 0 CBADLP CCN(C)C(=O)C[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001438109933 910821707 /nfs/dbraw/zinc/82/17/07/910821707.db2.gz GLKOYAYXSYVSGL-CYBMUJFWSA-N 2 2 296.415 -0.393 20 0 CBADLP CCN(C)C(=O)C[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001438109933 910821718 /nfs/dbraw/zinc/82/17/18/910821718.db2.gz GLKOYAYXSYVSGL-CYBMUJFWSA-N 2 2 296.415 -0.393 20 0 CBADLP CN(C)C(=O)C[NH+]1CC(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001438154196 910829310 /nfs/dbraw/zinc/82/93/10/910829310.db2.gz CFLOCJBFSUEQHM-LBPRGKRZSA-N 2 2 296.415 -0.536 20 0 CBADLP CN(C)C(=O)C[NH+]1CC(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001438154196 910829330 /nfs/dbraw/zinc/82/93/30/910829330.db2.gz CFLOCJBFSUEQHM-LBPRGKRZSA-N 2 2 296.415 -0.536 20 0 CBADLP CCNC(=O)C[NH+]1CC(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001438155981 910829706 /nfs/dbraw/zinc/82/97/06/910829706.db2.gz HNBRMQCRQHPOKR-UHFFFAOYSA-N 2 2 294.399 -0.734 20 0 CBADLP C[C@H](C(=O)NCC1C[NH+](CC(N)=O)C1)[NH+]1CCCCCC1 ZINC001438140034 910829872 /nfs/dbraw/zinc/82/98/72/910829872.db2.gz DDCKGAYUJRJOPZ-GFCCVEGCSA-N 2 2 296.415 -0.216 20 0 CBADLP CC(C)[C@@H](C(=O)NCC1C[NH+](CC(N)=O)C1)[NH+]1CCCC1 ZINC001438156029 910832752 /nfs/dbraw/zinc/83/27/52/910832752.db2.gz FBZDGWSJMZCAQB-AWEZNQCLSA-N 2 2 296.415 -0.360 20 0 CBADLP CC[C@@H](C(=O)N[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1)[NH+](C)C ZINC001438198281 910845182 /nfs/dbraw/zinc/84/51/82/910845182.db2.gz YSVNFDDPFLJBBH-SRVKXCTJSA-N 2 2 282.388 -0.594 20 0 CBADLP CC[C@@H](C(=O)N[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1)[NH+](C)C ZINC001438198281 910845197 /nfs/dbraw/zinc/84/51/97/910845197.db2.gz YSVNFDDPFLJBBH-SRVKXCTJSA-N 2 2 282.388 -0.594 20 0 CBADLP CC[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CC(=O)NC(C)C ZINC001438362681 910886926 /nfs/dbraw/zinc/88/69/26/910886926.db2.gz ALLAOHVMMUKDLL-LBPRGKRZSA-N 2 2 295.387 -0.108 20 0 CBADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C[NH2+]CC(=O)N(C)C ZINC001438523177 910914462 /nfs/dbraw/zinc/91/44/62/910914462.db2.gz FRYMEGHNDZTKSU-SNVBAGLBSA-N 2 2 281.360 -0.618 20 0 CBADLP CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001438555137 910919035 /nfs/dbraw/zinc/91/90/35/910919035.db2.gz SGMZECWGKPJECU-NSHDSACASA-N 2 2 281.360 -0.639 20 0 CBADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@@H](C)C[NH2+]CC(N)=O ZINC001438686006 910950169 /nfs/dbraw/zinc/95/01/69/910950169.db2.gz GBWQAOJJLVFKJF-UWVGGRQHSA-N 2 2 281.360 -0.490 20 0 CBADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@@H](C)C[NH2+]CC(N)=O ZINC001438686006 910950189 /nfs/dbraw/zinc/95/01/89/910950189.db2.gz GBWQAOJJLVFKJF-UWVGGRQHSA-N 2 2 281.360 -0.490 20 0 CBADLP C[C@H](C[NH2+]CC(N)=O)N(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001438672536 910954209 /nfs/dbraw/zinc/95/42/09/910954209.db2.gz ZVRIOVAERQFFQK-MNOVXSKESA-N 2 2 293.371 -0.633 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N(C)CC[N@@H+](C)CC(=O)N(C)C ZINC001438936186 911003141 /nfs/dbraw/zinc/00/31/41/911003141.db2.gz DVICDHZMVHWKAR-UHFFFAOYSA-N 2 2 295.387 -0.330 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N(C)CC[N@H+](C)CC(=O)N(C)C ZINC001438936186 911003164 /nfs/dbraw/zinc/00/31/64/911003164.db2.gz DVICDHZMVHWKAR-UHFFFAOYSA-N 2 2 295.387 -0.330 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]Cc1nncs1 ZINC001438988355 911041900 /nfs/dbraw/zinc/04/19/00/911041900.db2.gz YWPXFFQMFHFFLP-ZJUUUORDSA-N 2 2 299.400 -0.801 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]Cc1nncs1 ZINC001438988355 911041921 /nfs/dbraw/zinc/04/19/21/911041921.db2.gz YWPXFFQMFHFFLP-ZJUUUORDSA-N 2 2 299.400 -0.801 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC[C@@H](O)C[NH2+]C[C@@H]1CCOC1 ZINC001439050521 911079736 /nfs/dbraw/zinc/07/97/36/911079736.db2.gz VUWCGEFSWRXBMX-AAEUAGOBSA-N 2 2 296.371 -0.934 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001439128100 911110961 /nfs/dbraw/zinc/11/09/61/911110961.db2.gz DVUIWDZGMCCWRZ-SNVBAGLBSA-N 2 2 295.387 -0.233 20 0 CBADLP C[C@@H](C[NH2+][C@@H]1CCCN(C)C1=O)NC(=O)Cc1[nH]cc[nH+]1 ZINC001439262955 911159168 /nfs/dbraw/zinc/15/91/68/911159168.db2.gz IGJJCIYOVVTMNX-WDEREUQCSA-N 2 2 293.371 -0.333 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[N@H+](C)CC(=O)N(C)C ZINC001439352360 911184912 /nfs/dbraw/zinc/18/49/12/911184912.db2.gz HQLBDKJPZHVXQE-NSHDSACASA-N 2 2 295.387 -0.284 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[N@@H+](C)CC(=O)N(C)C ZINC001439352360 911184924 /nfs/dbraw/zinc/18/49/24/911184924.db2.gz HQLBDKJPZHVXQE-NSHDSACASA-N 2 2 295.387 -0.284 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[N@H+](C)CC(=O)N(C)C ZINC001439352350 911189598 /nfs/dbraw/zinc/18/95/98/911189598.db2.gz HQLBDKJPZHVXQE-LLVKDONJSA-N 2 2 295.387 -0.284 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[N@@H+](C)CC(=O)N(C)C ZINC001439352350 911189613 /nfs/dbraw/zinc/18/96/13/911189613.db2.gz HQLBDKJPZHVXQE-LLVKDONJSA-N 2 2 295.387 -0.284 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001439548324 911234853 /nfs/dbraw/zinc/23/48/53/911234853.db2.gz RRTTVRWGTYEEOJ-NEPJUHHUSA-N 2 2 284.404 -0.217 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001439548324 911234875 /nfs/dbraw/zinc/23/48/75/911234875.db2.gz RRTTVRWGTYEEOJ-NEPJUHHUSA-N 2 2 284.404 -0.217 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001439548329 911236283 /nfs/dbraw/zinc/23/62/83/911236283.db2.gz RRTTVRWGTYEEOJ-RYUDHWBXSA-N 2 2 284.404 -0.217 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001439548329 911236303 /nfs/dbraw/zinc/23/63/03/911236303.db2.gz RRTTVRWGTYEEOJ-RYUDHWBXSA-N 2 2 284.404 -0.217 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001439564009 911244476 /nfs/dbraw/zinc/24/44/76/911244476.db2.gz TWKRHJZOQDPIHS-YPMHNXCESA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001439564009 911244492 /nfs/dbraw/zinc/24/44/92/911244492.db2.gz TWKRHJZOQDPIHS-YPMHNXCESA-N 2 2 296.415 -0.217 20 0 CBADLP Cn1ncc(C[NH2+]C2(CNC(=O)[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC001439666319 911271876 /nfs/dbraw/zinc/27/18/76/911271876.db2.gz BXYBGFRQWMAMFL-NSHDSACASA-N 2 2 292.387 -0.495 20 0 CBADLP Cn1ncc(C[NH2+]C2(CNC(=O)[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001439666319 911271892 /nfs/dbraw/zinc/27/18/92/911271892.db2.gz BXYBGFRQWMAMFL-NSHDSACASA-N 2 2 292.387 -0.495 20 0 CBADLP CC[C@@H](C(=O)NCC1([NH2+]Cc2ncnn2C)CC1)[NH+](C)C ZINC001439667949 911272769 /nfs/dbraw/zinc/27/27/69/911272769.db2.gz SFZUNMWSEPKEEY-NSHDSACASA-N 2 2 294.403 -0.106 20 0 CBADLP C[C@@H](O)C[NH+]1CC(N(C)C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001439754254 911282251 /nfs/dbraw/zinc/28/22/51/911282251.db2.gz DEHCXDJAPVHPTD-QWHCGFSZSA-N 2 2 299.415 -0.522 20 0 CBADLP C[C@@]1(C[NH2+]CC(N)=O)CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001439897817 911304589 /nfs/dbraw/zinc/30/45/89/911304589.db2.gz YKUDKEAPBWVKNI-AWEZNQCLSA-N 2 2 293.371 -0.344 20 0 CBADLP C[C@@]1(C[NH2+]CC(N)=O)CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001439897817 911304607 /nfs/dbraw/zinc/30/46/07/911304607.db2.gz YKUDKEAPBWVKNI-AWEZNQCLSA-N 2 2 293.371 -0.344 20 0 CBADLP CO[C@@H](C)C[NH+]1CC(O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001440087458 911377002 /nfs/dbraw/zinc/37/70/02/911377002.db2.gz DSNSAVOVEKYAJH-LBPRGKRZSA-N 2 2 297.399 -0.720 20 0 CBADLP O=C(C[NH+]1CCCC1)N[C@@]1(CO)CCC[N@H+](CCF)C1 ZINC001440187937 911401639 /nfs/dbraw/zinc/40/16/39/911401639.db2.gz CUMQBOLLAXCXDR-AWEZNQCLSA-N 2 2 287.379 -0.005 20 0 CBADLP O=C(C[NH+]1CCCC1)N[C@@]1(CO)CCC[N@@H+](CCF)C1 ZINC001440187937 911401643 /nfs/dbraw/zinc/40/16/43/911401643.db2.gz CUMQBOLLAXCXDR-AWEZNQCLSA-N 2 2 287.379 -0.005 20 0 CBADLP CN(C)C(=O)C[NH2+][C@H]1C[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001440352935 911436389 /nfs/dbraw/zinc/43/63/89/911436389.db2.gz FSDXPNLXZXXPQA-XYPYZODXSA-N 2 2 293.371 -0.475 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001440363971 911437651 /nfs/dbraw/zinc/43/76/51/911437651.db2.gz MINIGLVNTTUGAJ-CKYFFXLPSA-N 2 2 291.355 -0.675 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)NC[C@H]1C[C@H]([NH2+]CCO)C1 ZINC001440369350 911442663 /nfs/dbraw/zinc/44/26/63/911442663.db2.gz KMLBUVHZWCUOKJ-HAQNSBGRSA-N 2 2 280.372 -0.171 20 0 CBADLP C[NH+](C)CCC(=O)N1CC[C@H]([NH+]2CCN(CCO)CC2)C1 ZINC001440392994 911446728 /nfs/dbraw/zinc/44/67/28/911446728.db2.gz KZJMYUNWOFCOER-AWEZNQCLSA-N 2 2 298.431 -0.851 20 0 CBADLP CNC(=O)[C@H](C)[N@H+](C)CCCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001440470178 911455906 /nfs/dbraw/zinc/45/59/06/911455906.db2.gz KKDDAHCNAKSNRZ-NSHDSACASA-N 2 2 295.387 -0.133 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+](C)CCCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001440470178 911455920 /nfs/dbraw/zinc/45/59/20/911455920.db2.gz KKDDAHCNAKSNRZ-NSHDSACASA-N 2 2 295.387 -0.133 20 0 CBADLP CNC(=O)C[N@H+](C)CCCN(C)C(=O)Cc1c[nH+]cn1C ZINC001440467002 911456769 /nfs/dbraw/zinc/45/67/69/911456769.db2.gz FZQYFBIAEJDHIU-UHFFFAOYSA-N 2 2 295.387 -0.511 20 0 CBADLP CNC(=O)C[N@@H+](C)CCCN(C)C(=O)Cc1c[nH+]cn1C ZINC001440467002 911456778 /nfs/dbraw/zinc/45/67/78/911456778.db2.gz FZQYFBIAEJDHIU-UHFFFAOYSA-N 2 2 295.387 -0.511 20 0 CBADLP CC[C@H](C(=O)N[C@@H]1COC2(C[NH+](CCOC)C2)C1)[NH+](C)C ZINC001440519966 911466125 /nfs/dbraw/zinc/46/61/25/911466125.db2.gz OMDUXTDWHGRHFD-QWHCGFSZSA-N 2 2 299.415 -0.068 20 0 CBADLP C[C@@H](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]Cc1cnon1 ZINC001440648901 911486114 /nfs/dbraw/zinc/48/61/14/911486114.db2.gz LJEYUFAPGICPMR-JQWIXIFHSA-N 2 2 297.359 -0.615 20 0 CBADLP C[C@@H](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]Cc1cnon1 ZINC001440648901 911486127 /nfs/dbraw/zinc/48/61/27/911486127.db2.gz LJEYUFAPGICPMR-JQWIXIFHSA-N 2 2 297.359 -0.615 20 0 CBADLP CCNC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001440847322 911526448 /nfs/dbraw/zinc/52/64/48/911526448.db2.gz GMFDJNSJSAKSEO-GHMZBOCLSA-N 2 2 281.360 -0.498 20 0 CBADLP C[C@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)[NH2+]Cc1cn(C)nn1 ZINC001440857193 911531974 /nfs/dbraw/zinc/53/19/74/911531974.db2.gz XEAMCIFNCGGJFM-QWRGUYRKSA-N 2 2 291.359 -0.305 20 0 CBADLP C[C@@H]([NH2+]Cc1cn(C)nn1)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001440857191 911534540 /nfs/dbraw/zinc/53/45/40/911534540.db2.gz XEAMCIFNCGGJFM-MNOVXSKESA-N 2 2 291.359 -0.305 20 0 CBADLP C[C@H](CNC(=O)CCn1cc[nH+]c1)[N@H+](C)[C@@H](C)C(N)=O ZINC001440956819 911560166 /nfs/dbraw/zinc/56/01/66/911560166.db2.gz JPZGFTXRQBFKGS-MNOVXSKESA-N 2 2 281.360 -0.417 20 0 CBADLP C[C@H](CNC(=O)CCn1cc[nH+]c1)[N@@H+](C)[C@@H](C)C(N)=O ZINC001440956819 911560182 /nfs/dbraw/zinc/56/01/82/911560182.db2.gz JPZGFTXRQBFKGS-MNOVXSKESA-N 2 2 281.360 -0.417 20 0 CBADLP C[C@@H]([NH2+]CC(N)=O)[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001440992925 911572915 /nfs/dbraw/zinc/57/29/15/911572915.db2.gz OJEGBTTUISMPFM-MNOVXSKESA-N 2 2 293.371 -0.203 20 0 CBADLP COC[C@H](O)C[N@H+](C)[C@@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001441007361 911581755 /nfs/dbraw/zinc/58/17/55/911581755.db2.gz UAGFNFHGNAAGIF-WCQYABFASA-N 2 2 298.387 -0.594 20 0 CBADLP COC[C@H](O)C[N@@H+](C)[C@@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001441007361 911581762 /nfs/dbraw/zinc/58/17/62/911581762.db2.gz UAGFNFHGNAAGIF-WCQYABFASA-N 2 2 298.387 -0.594 20 0 CBADLP C[C@H](CN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1)[NH2+]CC(N)=O ZINC001507093140 921675835 /nfs/dbraw/zinc/67/58/35/921675835.db2.gz LQKMWNFYTFPFLQ-MNOVXSKESA-N 2 2 293.371 -0.633 20 0 CBADLP CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001441175377 911621293 /nfs/dbraw/zinc/62/12/93/911621293.db2.gz FZOAOHZNVGNZCM-SNVBAGLBSA-N 2 2 270.377 -0.879 20 0 CBADLP CNC(=O)C[NH+]1CC([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001441175372 911621856 /nfs/dbraw/zinc/62/18/56/911621856.db2.gz FZOAOHZNVGNZCM-JTQLQIEISA-N 2 2 270.377 -0.879 20 0 CBADLP C[C@@H]([NH2+][C@H](CNC(=O)Cn1cc[nH+]c1)C1CC1)C(N)=O ZINC001441294016 911637170 /nfs/dbraw/zinc/63/71/70/911637170.db2.gz HBLVRSHKQVDHPW-MWLCHTKSSA-N 2 2 279.344 -0.759 20 0 CBADLP NC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001441357655 911651759 /nfs/dbraw/zinc/65/17/59/911651759.db2.gz HUCMJWYVGLFNCT-XYPYZODXSA-N 2 2 279.344 -0.757 20 0 CBADLP CN(C)C(=O)C[NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001441423281 911666443 /nfs/dbraw/zinc/66/64/43/911666443.db2.gz PBLPWDJVJCJYFB-MGCOHNPYSA-N 2 2 279.344 -0.723 20 0 CBADLP CCCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001441431937 911668816 /nfs/dbraw/zinc/66/88/16/911668816.db2.gz YQCFPBRLHXSMQI-XYPYZODXSA-N 2 2 293.371 -0.285 20 0 CBADLP CN(C)C(=O)C[NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001441431025 911669262 /nfs/dbraw/zinc/66/92/62/911669262.db2.gz SJTMAGRBMSBQOE-XYPYZODXSA-N 2 2 279.344 -0.792 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001441523334 911693385 /nfs/dbraw/zinc/69/33/85/911693385.db2.gz HQLZKKMWCDYBNB-YTWAJWBKSA-N 2 2 293.371 -0.301 20 0 CBADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001441523334 911693396 /nfs/dbraw/zinc/69/33/96/911693396.db2.gz HQLZKKMWCDYBNB-YTWAJWBKSA-N 2 2 293.371 -0.301 20 0 CBADLP Cn1ccc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001441677934 911742190 /nfs/dbraw/zinc/74/21/90/911742190.db2.gz GRVWYVVJDGBXRO-QWHCGFSZSA-N 2 2 295.387 -0.919 20 0 CBADLP Cn1ccc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001441677934 911742201 /nfs/dbraw/zinc/74/22/01/911742201.db2.gz GRVWYVVJDGBXRO-QWHCGFSZSA-N 2 2 295.387 -0.919 20 0 CBADLP CNC(=O)C[NH2+]C1CCC(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001441739805 911774132 /nfs/dbraw/zinc/77/41/32/911774132.db2.gz HVNFMBSHOFEFOF-UHFFFAOYSA-N 2 2 293.371 -0.354 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H](CO)[NH2+]C[C@@H]1CCOC1 ZINC001441765558 911787083 /nfs/dbraw/zinc/78/70/83/911787083.db2.gz NIYAYKBTUMFEDI-QWRGUYRKSA-N 2 2 282.344 -0.945 20 0 CBADLP CNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001441870388 911840586 /nfs/dbraw/zinc/84/05/86/911840586.db2.gz UTGPMGIHEBJZBM-IVZWLZJFSA-N 2 2 279.344 -0.647 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH2+]CC(N)=O ZINC001441958530 911866253 /nfs/dbraw/zinc/86/62/53/911866253.db2.gz MCUHHCOLNJNAEQ-IVZWLZJFSA-N 2 2 279.344 -0.897 20 0 CBADLP O=C(C[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1)NC1CC1 ZINC001442109367 911925661 /nfs/dbraw/zinc/92/56/61/911925661.db2.gz TXBQTNLAPLEGHG-NSHDSACASA-N 2 2 291.355 -0.579 20 0 CBADLP CNC(=O)C[N@H+](C)CCN(C(=O)C[NH+]1CCCC1)C(C)C ZINC001442132693 911938362 /nfs/dbraw/zinc/93/83/62/911938362.db2.gz QREHDFFRBGAQLJ-UHFFFAOYSA-N 2 2 298.431 -0.003 20 0 CBADLP CNC(=O)C[N@@H+](C)CCN(C(=O)C[NH+]1CCCC1)C(C)C ZINC001442132693 911938368 /nfs/dbraw/zinc/93/83/68/911938368.db2.gz QREHDFFRBGAQLJ-UHFFFAOYSA-N 2 2 298.431 -0.003 20 0 CBADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)[C@H]1CCNC1=O ZINC001442413712 912008646 /nfs/dbraw/zinc/00/86/46/912008646.db2.gz YDVSENVUGYDVAG-QWHCGFSZSA-N 2 2 296.415 -0.203 20 0 CBADLP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)[C@H]1CCNC1=O ZINC001442413712 912008658 /nfs/dbraw/zinc/00/86/58/912008658.db2.gz YDVSENVUGYDVAG-QWHCGFSZSA-N 2 2 296.415 -0.203 20 0 CBADLP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@H+](C)[C@H]1CCNC1=O ZINC001442413712 912008673 /nfs/dbraw/zinc/00/86/73/912008673.db2.gz YDVSENVUGYDVAG-QWHCGFSZSA-N 2 2 296.415 -0.203 20 0 CBADLP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@@H+](C)[C@H]1CCNC1=O ZINC001442413712 912008686 /nfs/dbraw/zinc/00/86/86/912008686.db2.gz YDVSENVUGYDVAG-QWHCGFSZSA-N 2 2 296.415 -0.203 20 0 CBADLP CC[N@H+](CCNC(=O)C[NH+]1CCCC1)Cc1cnnn1C ZINC001442743028 912091359 /nfs/dbraw/zinc/09/13/59/912091359.db2.gz GBCSXJDCUHUZJJ-UHFFFAOYSA-N 2 2 294.403 -0.151 20 0 CBADLP CC[N@@H+](CCNC(=O)C[NH+]1CCCC1)Cc1cnnn1C ZINC001442743028 912091375 /nfs/dbraw/zinc/09/13/75/912091375.db2.gz GBCSXJDCUHUZJJ-UHFFFAOYSA-N 2 2 294.403 -0.151 20 0 CBADLP CCC[N@H+](CCNC(=O)Cn1cc[nH+]c1C)CC(N)=O ZINC001442972016 912132595 /nfs/dbraw/zinc/13/25/95/912132595.db2.gz FWDAENUBHYHISX-UHFFFAOYSA-N 2 2 281.360 -0.495 20 0 CBADLP CCC[N@@H+](CCNC(=O)Cn1cc[nH+]c1C)CC(N)=O ZINC001442972016 912132615 /nfs/dbraw/zinc/13/26/15/912132615.db2.gz FWDAENUBHYHISX-UHFFFAOYSA-N 2 2 281.360 -0.495 20 0 CBADLP C[C@@H](C(=O)N1CC[N@H+](CCO)C[C@@H]1C)N1CC[NH+](C)CC1 ZINC001468956524 915357753 /nfs/dbraw/zinc/35/77/53/915357753.db2.gz WDTJLWXANVGNRL-KBPBESRZSA-N 2 2 298.431 -0.853 20 0 CBADLP C[C@@H](C(=O)N1CC[N@@H+](CCO)C[C@@H]1C)N1CC[NH+](C)CC1 ZINC001468956524 915357766 /nfs/dbraw/zinc/35/77/66/915357766.db2.gz WDTJLWXANVGNRL-KBPBESRZSA-N 2 2 298.431 -0.853 20 0 CBADLP C[C@@H](C(=O)N1CC[N@H+](CCO)C[C@H]1C)N1CC[NH+](C)CC1 ZINC001468956536 915359345 /nfs/dbraw/zinc/35/93/45/915359345.db2.gz WDTJLWXANVGNRL-KGLIPLIRSA-N 2 2 298.431 -0.853 20 0 CBADLP C[C@@H](C(=O)N1CC[N@@H+](CCO)C[C@H]1C)N1CC[NH+](C)CC1 ZINC001468956536 915359364 /nfs/dbraw/zinc/35/93/64/915359364.db2.gz WDTJLWXANVGNRL-KGLIPLIRSA-N 2 2 298.431 -0.853 20 0 CBADLP Cn1c[nH+]c(CCNC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)c1 ZINC001470445340 915483942 /nfs/dbraw/zinc/48/39/42/915483942.db2.gz JMXVBKJZWLKKOM-ZDUSSCGKSA-N 2 2 281.360 -0.672 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H](CO)[NH2+]CC1CCC1 ZINC001507248804 921780641 /nfs/dbraw/zinc/78/06/41/921780641.db2.gz KWYUTSFZGPHZFD-NSHDSACASA-N 2 2 266.345 -0.181 20 0 CBADLP Cn1c[nH+]c(CCNC(=O)[C@H]2C[N@@H+]3CCN2CCC3)c1 ZINC001472575459 915751866 /nfs/dbraw/zinc/75/18/66/915751866.db2.gz BUZYNKFPTCIHCL-CYBMUJFWSA-N 2 2 277.372 -0.531 20 0 CBADLP Cn1c[nH+]c(CCNC(=O)[C@H]2C[N@H+]3CCN2CCC3)c1 ZINC001472575459 915751881 /nfs/dbraw/zinc/75/18/81/915751881.db2.gz BUZYNKFPTCIHCL-CYBMUJFWSA-N 2 2 277.372 -0.531 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@@H](CO)[NH2+]CCC1CC1 ZINC001507267396 921795672 /nfs/dbraw/zinc/79/56/72/921795672.db2.gz OMTHSDVDPOSSSS-LBPRGKRZSA-N 2 2 266.345 -0.250 20 0 CBADLP CC[C@H](C)C[NH2+][C@@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001507267376 921796686 /nfs/dbraw/zinc/79/66/86/921796686.db2.gz NVRLWNLMOCQGOV-NWDGAFQWSA-N 2 2 268.361 -0.004 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@H](CO)[NH2+]C/C=C\Cl ZINC001507268969 921797190 /nfs/dbraw/zinc/79/71/90/921797190.db2.gz WCQFLSNHYGZANM-JWXWKVPASA-N 2 2 272.736 -0.298 20 0 CBADLP O=C1CO[C@@H]2CC[N@H+](CCCn3cc[nH+]c3)C[C@H]2N1 ZINC001473529443 915825137 /nfs/dbraw/zinc/82/51/37/915825137.db2.gz CKQVVUNPLCRUBT-VXGBXAGGSA-N 2 2 264.329 -0.138 20 0 CBADLP O=C1CO[C@@H]2CC[N@@H+](CCCn3cc[nH+]c3)C[C@H]2N1 ZINC001473529443 915825153 /nfs/dbraw/zinc/82/51/53/915825153.db2.gz CKQVVUNPLCRUBT-VXGBXAGGSA-N 2 2 264.329 -0.138 20 0 CBADLP C[C@H]1C[N@H+](CCO)CCN1CCC[NH+]1CCOCC1 ZINC001473545381 915831770 /nfs/dbraw/zinc/83/17/70/915831770.db2.gz KMPAHVGZKRIRMP-AWEZNQCLSA-N 2 2 271.405 -0.293 20 0 CBADLP C[C@H]1C[N@@H+](CCO)CCN1CCC[NH+]1CCOCC1 ZINC001473545381 915831787 /nfs/dbraw/zinc/83/17/87/915831787.db2.gz KMPAHVGZKRIRMP-AWEZNQCLSA-N 2 2 271.405 -0.293 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N(C)C[C@@H]1CC[N@@H+]1CCO ZINC001479266554 916104898 /nfs/dbraw/zinc/10/48/98/916104898.db2.gz QUOLOBUNUKFHHQ-LBPRGKRZSA-N 2 2 266.345 -0.283 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N(C)C[C@@H]1CC[N@H+]1CCO ZINC001479266554 916104903 /nfs/dbraw/zinc/10/49/03/916104903.db2.gz QUOLOBUNUKFHHQ-LBPRGKRZSA-N 2 2 266.345 -0.283 20 0 CBADLP C[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1)C(N)=O ZINC001479330120 916120008 /nfs/dbraw/zinc/12/00/08/916120008.db2.gz PGSLHECZYJYJFJ-BBBLOLIVSA-N 2 2 279.344 -0.690 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+](C)CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001479805090 916185947 /nfs/dbraw/zinc/18/59/47/916185947.db2.gz VSFUJVNEBXRXOJ-JTQLQIEISA-N 2 2 281.360 -0.346 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+](C)CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001479805090 916185957 /nfs/dbraw/zinc/18/59/57/916185957.db2.gz VSFUJVNEBXRXOJ-JTQLQIEISA-N 2 2 281.360 -0.346 20 0 CBADLP CC[N@H+](CCO)CCCNC(=O)Cn1cc[nH+]c1 ZINC001479862058 916194752 /nfs/dbraw/zinc/19/47/52/916194752.db2.gz IGRBYJZHZJKLAU-UHFFFAOYSA-N 2 2 254.334 -0.296 20 0 CBADLP CC[N@@H+](CCO)CCCNC(=O)Cn1cc[nH+]c1 ZINC001479862058 916194763 /nfs/dbraw/zinc/19/47/63/916194763.db2.gz IGRBYJZHZJKLAU-UHFFFAOYSA-N 2 2 254.334 -0.296 20 0 CBADLP CC[N@H+](CCCNC(=O)Cn1cc[nH+]c1)[C@@H](C)C(N)=O ZINC001479862678 916194859 /nfs/dbraw/zinc/19/48/59/916194859.db2.gz SEUOWXWPSJQAJF-NSHDSACASA-N 2 2 281.360 -0.415 20 0 CBADLP CC[N@@H+](CCCNC(=O)Cn1cc[nH+]c1)[C@@H](C)C(N)=O ZINC001479862678 916194869 /nfs/dbraw/zinc/19/48/69/916194869.db2.gz SEUOWXWPSJQAJF-NSHDSACASA-N 2 2 281.360 -0.415 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)N[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001480207639 916330024 /nfs/dbraw/zinc/33/00/24/916330024.db2.gz LXXAUKZEJOHUGP-TUAOUCFPSA-N 2 2 291.355 -0.532 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)N[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001480207639 916330049 /nfs/dbraw/zinc/33/00/49/916330049.db2.gz LXXAUKZEJOHUGP-TUAOUCFPSA-N 2 2 291.355 -0.532 20 0 CBADLP NC(=O)C[NH2+]C[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001480288998 916352931 /nfs/dbraw/zinc/35/29/31/916352931.db2.gz AZLZTVLTUDWTNU-GFCCVEGCSA-N 2 2 293.371 -0.413 20 0 CBADLP CNC(=O)C[NH2+][C@@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001480473243 916430368 /nfs/dbraw/zinc/43/03/68/916430368.db2.gz DPFCPLHUWZFFIG-VIFPVBQESA-N 2 2 267.333 -0.817 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001480474292 916430967 /nfs/dbraw/zinc/43/09/67/916430967.db2.gz JWUSTCBHEJHXQW-UWVGGRQHSA-N 2 2 281.360 -0.429 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001480474292 916430973 /nfs/dbraw/zinc/43/09/73/916430973.db2.gz JWUSTCBHEJHXQW-UWVGGRQHSA-N 2 2 281.360 -0.429 20 0 CBADLP CCN1CC[C@H]([NH2+][C@@H](C)CNC(=O)Cc2[nH]cc[nH+]2)C1=O ZINC001480561883 916473909 /nfs/dbraw/zinc/47/39/09/916473909.db2.gz NOKFLWKVVMUSSE-QWRGUYRKSA-N 2 2 293.371 -0.333 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC[C@H](C)[NH2+]Cc1nnnn1C ZINC001480591892 916486371 /nfs/dbraw/zinc/48/63/71/916486371.db2.gz QRNCVFXUEPBBQP-VIFPVBQESA-N 2 2 292.347 -0.990 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001480595641 916488015 /nfs/dbraw/zinc/48/80/15/916488015.db2.gz CTHXBBYBYWBYPN-JTQLQIEISA-N 2 2 298.391 -0.957 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NC[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001480595641 916488023 /nfs/dbraw/zinc/48/80/23/916488023.db2.gz CTHXBBYBYWBYPN-JTQLQIEISA-N 2 2 298.391 -0.957 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]([NH2+]CCOCCO)C1 ZINC001480625480 916499936 /nfs/dbraw/zinc/49/99/36/916499936.db2.gz RGKVJWIHQOBTNL-LBPRGKRZSA-N 2 2 282.344 -0.918 20 0 CBADLP CC(C)(C(=O)N1CC[C@@H](C[NH2+]CCO)C1)[NH+]1CCOCC1 ZINC001480672090 916516896 /nfs/dbraw/zinc/51/68/96/916516896.db2.gz RCADIGOFMJBQJU-ZDUSSCGKSA-N 2 2 299.415 -0.472 20 0 CBADLP C[C@H](CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[NH2+]CC(N)=O ZINC001480796608 916544040 /nfs/dbraw/zinc/54/40/40/916544040.db2.gz QIACQHUMUKSOHB-VHSXEESVSA-N 2 2 281.360 -0.442 20 0 CBADLP C[C@H](CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[NH2+]CC(N)=O ZINC001480796608 916544051 /nfs/dbraw/zinc/54/40/51/916544051.db2.gz QIACQHUMUKSOHB-VHSXEESVSA-N 2 2 281.360 -0.442 20 0 CBADLP CC[N@H+](CCNC(=O)Cc1c[nH+]cn1C)[C@H](C)C(N)=O ZINC001481012240 916687667 /nfs/dbraw/zinc/68/76/67/916687667.db2.gz VWUDFRBYDVDXEB-SNVBAGLBSA-N 2 2 281.360 -0.726 20 0 CBADLP CC[N@@H+](CCNC(=O)Cc1c[nH+]cn1C)[C@H](C)C(N)=O ZINC001481012240 916687682 /nfs/dbraw/zinc/68/76/82/916687682.db2.gz VWUDFRBYDVDXEB-SNVBAGLBSA-N 2 2 281.360 -0.726 20 0 CBADLP CC[C@H]([NH2+]CCN(C)C(=O)Cc1c[nH+]c[nH]1)C(N)=O ZINC001481284704 916801537 /nfs/dbraw/zinc/80/15/37/916801537.db2.gz DECUILRFGFIYGN-JTQLQIEISA-N 2 2 267.333 -0.736 20 0 CBADLP CCN(C)C(=O)C[NH2+]CCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001481295325 916808388 /nfs/dbraw/zinc/80/83/88/916808388.db2.gz QPMUTUSZBFRSTD-UHFFFAOYSA-N 2 2 281.360 -0.522 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCC1C[NH+](CCOCCO)C1 ZINC001481656969 916929541 /nfs/dbraw/zinc/92/95/41/916929541.db2.gz HEZGUCJGLXBESY-UHFFFAOYSA-N 2 2 296.371 -0.682 20 0 CBADLP CN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+](Cc2cnnn2C)C1 ZINC001481739705 916970270 /nfs/dbraw/zinc/97/02/70/916970270.db2.gz DFHOBVGZVOTHSQ-LBPRGKRZSA-N 2 2 294.403 -0.201 20 0 CBADLP CN(C(=O)CC[NH+](C)C)[C@H]1CC[N@@H+](Cc2cnnn2C)C1 ZINC001481739705 916970279 /nfs/dbraw/zinc/97/02/79/916970279.db2.gz DFHOBVGZVOTHSQ-LBPRGKRZSA-N 2 2 294.403 -0.201 20 0 CBADLP CC[C@@H](CNC(=O)c1cccc2[nH+]ccn21)[NH2+]CC(N)=O ZINC001481831922 916999600 /nfs/dbraw/zinc/99/96/00/916999600.db2.gz FJXFUPAKOQIWCE-JTQLQIEISA-N 2 2 289.339 -0.082 20 0 CBADLP C[C@](C[NH2+]CC(N)=O)(NC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001481948768 917025124 /nfs/dbraw/zinc/02/51/24/917025124.db2.gz RCQPBOIMMVDZGX-CYBMUJFWSA-N 2 2 279.344 -0.688 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N1CCC[C@@H]1C[NH2+]CCCO ZINC001482064205 917035851 /nfs/dbraw/zinc/03/58/51/917035851.db2.gz BIPQQMMNDIGRHN-LLVKDONJSA-N 2 2 266.345 -0.085 20 0 CBADLP CCOCC[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001482205576 917090336 /nfs/dbraw/zinc/09/03/36/917090336.db2.gz OPHUYLOVBBWQDJ-CQSZACIVSA-N 2 2 299.415 -0.064 20 0 CBADLP CCOCC[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001482205576 917090350 /nfs/dbraw/zinc/09/03/50/917090350.db2.gz OPHUYLOVBBWQDJ-CQSZACIVSA-N 2 2 299.415 -0.064 20 0 CBADLP CNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001482340663 917131853 /nfs/dbraw/zinc/13/18/53/917131853.db2.gz LLUOPTLJEHYDJM-MNOVXSKESA-N 2 2 295.387 -0.229 20 0 CBADLP CNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001482340663 917131867 /nfs/dbraw/zinc/13/18/67/917131867.db2.gz LLUOPTLJEHYDJM-MNOVXSKESA-N 2 2 295.387 -0.229 20 0 CBADLP CNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001482340664 917132134 /nfs/dbraw/zinc/13/21/34/917132134.db2.gz LLUOPTLJEHYDJM-QWRGUYRKSA-N 2 2 295.387 -0.229 20 0 CBADLP CNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001482340664 917132143 /nfs/dbraw/zinc/13/21/43/917132143.db2.gz LLUOPTLJEHYDJM-QWRGUYRKSA-N 2 2 295.387 -0.229 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)Cn1cc[nH+]c1 ZINC001482372542 917140401 /nfs/dbraw/zinc/14/04/01/917140401.db2.gz DOISNDSXJJIJRQ-MNOVXSKESA-N 2 2 281.360 -0.546 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCC[C@H]1C[NH2+]CC(N)=O ZINC001482695688 917206673 /nfs/dbraw/zinc/20/66/73/917206673.db2.gz TYOKJDVCDCFFOZ-QWRGUYRKSA-N 2 2 293.371 -0.380 20 0 CBADLP NC(=O)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CCn1cc[nH+]c1 ZINC001482683920 917206708 /nfs/dbraw/zinc/20/67/08/917206708.db2.gz KDTFRWHSHSZPRA-NEPJUHHUSA-N 2 2 293.371 -0.367 20 0 CBADLP COCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001482743904 917246925 /nfs/dbraw/zinc/24/69/25/917246925.db2.gz LMFAGKQHKYGRGB-NEPJUHHUSA-N 2 2 296.371 -0.841 20 0 CBADLP COCC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001482743906 917248564 /nfs/dbraw/zinc/24/85/64/917248564.db2.gz LMFAGKQHKYGRGB-RYUDHWBXSA-N 2 2 296.371 -0.841 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@@H](O)C[NH2+]CCCF ZINC001482799129 917292147 /nfs/dbraw/zinc/29/21/47/917292147.db2.gz LTMIQXNDYCWHFG-JTQLQIEISA-N 2 2 258.297 -0.691 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@@H](O)C[NH2+]Cc1cnns1 ZINC001482798965 917292690 /nfs/dbraw/zinc/29/26/90/917292690.db2.gz JHLMDVYRNKWUQW-VIFPVBQESA-N 2 2 296.356 -0.999 20 0 CBADLP CCN(CC[NH2+]CC(N)=O)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001482934437 917341587 /nfs/dbraw/zinc/34/15/87/917341587.db2.gz DBJHBVQUYZXQOZ-LLVKDONJSA-N 2 2 293.371 -0.631 20 0 CBADLP O=C(CCn1cc[nH+]c1)NC/C=C\C[NH2+][C@@H]1CCNC1=O ZINC001483046952 917386190 /nfs/dbraw/zinc/38/61/90/917386190.db2.gz UHQTZJCCINDGAA-UDSFMNFJSA-N 2 2 291.355 -0.576 20 0 CBADLP C[NH+](C)CCC(=O)NC/C=C\C[NH2+]Cc1cnon1 ZINC001483053091 917391032 /nfs/dbraw/zinc/39/10/32/917391032.db2.gz CAQUVAITATUZRL-ARJAWSKDSA-N 2 2 267.333 -0.217 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC/C=C/C[NH2+][C@@H]1CCNC1=O ZINC001483065996 917397137 /nfs/dbraw/zinc/39/71/37/917397137.db2.gz YOQRKNXFKLRJJZ-FMBMQGQPSA-N 2 2 277.328 -0.897 20 0 CBADLP CCNC(=O)C[NH2+]C/C=C/CNC(=O)Cc1[nH]cc[nH+]1 ZINC001483075819 917402150 /nfs/dbraw/zinc/40/21/50/917402150.db2.gz AXNXXJAPBFYMQK-ONEGZZNKSA-N 2 2 279.344 -0.650 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001483171614 917448053 /nfs/dbraw/zinc/44/80/53/917448053.db2.gz ZRCQBZQMFPNUCT-GHMZBOCLSA-N 2 2 281.360 -0.326 20 0 CBADLP C[C@@H](C[NH2+]CC(=O)NC1CC1)NC(=O)Cc1c[nH+]cn1C ZINC001483283528 917507170 /nfs/dbraw/zinc/50/71/70/917507170.db2.gz SCEGKNAZRYWDPV-JTQLQIEISA-N 2 2 293.371 -0.665 20 0 CBADLP CNC(=O)C[NH2+]C[C@H](NC(=O)CCc1c[nH]c[nH+]1)C1CC1 ZINC001483565138 917592779 /nfs/dbraw/zinc/59/27/79/917592779.db2.gz SGITVKVJMLYINZ-LBPRGKRZSA-N 2 2 293.371 -0.427 20 0 CBADLP CNC(=O)C[NH2+]C[C@H](NC(=O)CCc1c[nH+]c[nH]1)C1CC1 ZINC001483565138 917592796 /nfs/dbraw/zinc/59/27/96/917592796.db2.gz SGITVKVJMLYINZ-LBPRGKRZSA-N 2 2 293.371 -0.427 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001483656068 917625718 /nfs/dbraw/zinc/62/57/18/917625718.db2.gz WJWFMGRYPUZVRX-NEPJUHHUSA-N 2 2 296.415 -0.075 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001483656068 917625727 /nfs/dbraw/zinc/62/57/27/917625727.db2.gz WJWFMGRYPUZVRX-NEPJUHHUSA-N 2 2 296.415 -0.075 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)N1CCC[C@@H]1C[NH2+]CCO ZINC001483953558 917713947 /nfs/dbraw/zinc/71/39/47/917713947.db2.gz IZSVFVDSXKSDPH-CYBMUJFWSA-N 2 2 280.372 -0.074 20 0 CBADLP C[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+]CC(N)=O ZINC001484386159 917836938 /nfs/dbraw/zinc/83/69/38/917836938.db2.gz YVMQZZAJQUWLGB-WDEREUQCSA-N 2 2 279.344 -0.948 20 0 CBADLP CCC[N@H+](C)CC(=O)NC[C@H]1COCC[NH+]1C[C@H](C)O ZINC001484606496 917900807 /nfs/dbraw/zinc/90/08/07/917900807.db2.gz BTEMEWZYZMOVOB-STQMWFEESA-N 2 2 287.404 -0.474 20 0 CBADLP CCC[N@@H+](C)CC(=O)NC[C@H]1COCC[NH+]1C[C@H](C)O ZINC001484606496 917900816 /nfs/dbraw/zinc/90/08/16/917900816.db2.gz BTEMEWZYZMOVOB-STQMWFEESA-N 2 2 287.404 -0.474 20 0 CBADLP CCC[NH+](C)CC(=O)NC[C@H]1COCC[N@@H+]1C[C@H](C)O ZINC001484606496 917900827 /nfs/dbraw/zinc/90/08/27/917900827.db2.gz BTEMEWZYZMOVOB-STQMWFEESA-N 2 2 287.404 -0.474 20 0 CBADLP CCC[NH+](C)CC(=O)NC[C@H]1COCC[N@H+]1C[C@H](C)O ZINC001484606496 917900845 /nfs/dbraw/zinc/90/08/45/917900845.db2.gz BTEMEWZYZMOVOB-STQMWFEESA-N 2 2 287.404 -0.474 20 0 CBADLP C[C@H](C(N)=O)[N@H+](C)C[C@@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001485070725 917986125 /nfs/dbraw/zinc/98/61/25/917986125.db2.gz ZHEBEAWMNRJOCG-PWSUYJOCSA-N 2 2 293.371 -0.251 20 0 CBADLP C[C@H](C(N)=O)[N@@H+](C)C[C@@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001485070725 917986134 /nfs/dbraw/zinc/98/61/34/917986134.db2.gz ZHEBEAWMNRJOCG-PWSUYJOCSA-N 2 2 293.371 -0.251 20 0 CBADLP O=C(NC1CC(C[NH2+]CCO)C1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001485096109 917994048 /nfs/dbraw/zinc/99/40/48/917994048.db2.gz PSRDHLWAORNXOB-OTTFEQOBSA-N 2 2 292.383 -0.078 20 0 CBADLP C[C@@H]([NH2+]CC(=O)N1CCC1)[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001485206966 918029270 /nfs/dbraw/zinc/02/92/70/918029270.db2.gz SFELQRZEYLKPHE-MNOVXSKESA-N 2 2 293.371 -0.333 20 0 CBADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[N@H+](C)CCn1cncn1 ZINC001485358163 918092805 /nfs/dbraw/zinc/09/28/05/918092805.db2.gz QLTWSECIHNXBLL-LLVKDONJSA-N 2 2 291.359 -0.320 20 0 CBADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[N@@H+](C)CCn1cncn1 ZINC001485358163 918092820 /nfs/dbraw/zinc/09/28/20/918092820.db2.gz QLTWSECIHNXBLL-LLVKDONJSA-N 2 2 291.359 -0.320 20 0 CBADLP C[C@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+][C@H](C)C(N)=O ZINC001485961818 918239279 /nfs/dbraw/zinc/23/92/79/918239279.db2.gz HAABBYLYPBJOQJ-NXEZZACHSA-N 2 2 267.333 -0.807 20 0 CBADLP C[C@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+]CC(=O)NC1CC1 ZINC001485961969 918240655 /nfs/dbraw/zinc/24/06/55/918240655.db2.gz HSYBSZYTGRXCEP-LLVKDONJSA-N 2 2 293.371 -0.402 20 0 CBADLP COCC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001486011492 918302788 /nfs/dbraw/zinc/30/27/88/918302788.db2.gz VGOGWXLJYDTURD-NEPJUHHUSA-N 2 2 296.371 -0.841 20 0 CBADLP Cc1nc(C[NH2+][C@@H](CO)CNC(=O)CC[NH+](C)C)c(C)o1 ZINC001486030151 918323186 /nfs/dbraw/zinc/32/31/86/918323186.db2.gz HFSODIDZCHJNGE-GFCCVEGCSA-N 2 2 298.387 -0.190 20 0 CBADLP Cc1conc1C[NH2+][C@@H](CO)CNC(=O)CC[NH+](C)C ZINC001486030681 918325585 /nfs/dbraw/zinc/32/55/85/918325585.db2.gz LBNRZZVJFNJKSM-LLVKDONJSA-N 2 2 284.360 -0.499 20 0 CBADLP CC[C@H](F)C[NH2+][C@@H](CO)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001486036832 918331028 /nfs/dbraw/zinc/33/10/28/918331028.db2.gz AQENWQIPSHYNOZ-GXSJLCMTSA-N 2 2 272.324 -0.233 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001486214118 918386940 /nfs/dbraw/zinc/38/69/40/918386940.db2.gz BJATWQBGFSRWKG-GHMZBOCLSA-N 2 2 293.371 -0.678 20 0 CBADLP CN(C[C@@H](O)C[NH2+]CCF)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001486287320 918411653 /nfs/dbraw/zinc/41/16/53/918411653.db2.gz YHNCAPSEVNXNEK-NEPJUHHUSA-N 2 2 298.362 -0.176 20 0 CBADLP CN(C[C@H](O)C[NH2+]CCF)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001486284252 918411877 /nfs/dbraw/zinc/41/18/77/918411877.db2.gz HTELPEVYTFHOAP-WCQYABFASA-N 2 2 298.362 -0.176 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+](C)C ZINC001488651673 918744962 /nfs/dbraw/zinc/74/49/62/918744962.db2.gz AXHVDLBNFGQFQI-NWDGAFQWSA-N 2 2 284.404 -0.395 20 0 CBADLP CNC(=O)[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+](C)C ZINC001488651673 918744973 /nfs/dbraw/zinc/74/49/73/918744973.db2.gz AXHVDLBNFGQFQI-NWDGAFQWSA-N 2 2 284.404 -0.395 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@H]1CN(C)C(=O)CC[NH+](C)C ZINC001488651641 918746259 /nfs/dbraw/zinc/74/62/59/918746259.db2.gz ARVATMCFFXAGQW-QWRGUYRKSA-N 2 2 270.377 -0.655 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CC[C@H]1CN(C)C(=O)CC[NH+](C)C ZINC001488651641 918746286 /nfs/dbraw/zinc/74/62/86/918746286.db2.gz ARVATMCFFXAGQW-QWRGUYRKSA-N 2 2 270.377 -0.655 20 0 CBADLP CCC[N@H+](C)CC(=O)N(C)C[C@H]1CC[NH+]1[C@H](C)C(=O)NC ZINC001488687641 918756756 /nfs/dbraw/zinc/75/67/56/918756756.db2.gz UKZBVMICYZSXAG-CHWSQXEVSA-N 2 2 298.431 -0.005 20 0 CBADLP CCC[N@@H+](C)CC(=O)N(C)C[C@H]1CC[NH+]1[C@H](C)C(=O)NC ZINC001488687641 918756764 /nfs/dbraw/zinc/75/67/64/918756764.db2.gz UKZBVMICYZSXAG-CHWSQXEVSA-N 2 2 298.431 -0.005 20 0 CBADLP CCC[NH+](C)CC(=O)N(C)C[C@H]1CC[N@@H+]1[C@H](C)C(=O)NC ZINC001488687641 918756781 /nfs/dbraw/zinc/75/67/81/918756781.db2.gz UKZBVMICYZSXAG-CHWSQXEVSA-N 2 2 298.431 -0.005 20 0 CBADLP CCC[NH+](C)CC(=O)N(C)C[C@H]1CC[N@H+]1[C@H](C)C(=O)NC ZINC001488687641 918756793 /nfs/dbraw/zinc/75/67/93/918756793.db2.gz UKZBVMICYZSXAG-CHWSQXEVSA-N 2 2 298.431 -0.005 20 0 CBADLP C[N@H+](CCCNC(=O)[C@H]1CCc2c[nH+]cn2C1)CC(N)=O ZINC001490217254 918872008 /nfs/dbraw/zinc/87/20/08/918872008.db2.gz LVBJEOPDGWIXOQ-NSHDSACASA-N 2 2 293.371 -0.631 20 0 CBADLP C[N@@H+](CCCNC(=O)[C@H]1CCc2c[nH+]cn2C1)CC(N)=O ZINC001490217254 918872017 /nfs/dbraw/zinc/87/20/17/918872017.db2.gz LVBJEOPDGWIXOQ-NSHDSACASA-N 2 2 293.371 -0.631 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NCCC[N@H+](CC(N)=O)C1CC1 ZINC001490379116 918895124 /nfs/dbraw/zinc/89/51/24/918895124.db2.gz VJOMZRHTNPSUEV-UHFFFAOYSA-N 2 2 293.371 -0.352 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NCCC[N@@H+](CC(N)=O)C1CC1 ZINC001490379116 918895136 /nfs/dbraw/zinc/89/51/36/918895136.db2.gz VJOMZRHTNPSUEV-UHFFFAOYSA-N 2 2 293.371 -0.352 20 0 CBADLP CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001490947596 918994876 /nfs/dbraw/zinc/99/48/76/918994876.db2.gz RQPHWWXAOFNGIF-XYPYZODXSA-N 2 2 293.371 -0.665 20 0 CBADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CC(=O)N(C)C1CC1 ZINC001491624503 919234066 /nfs/dbraw/zinc/23/40/66/919234066.db2.gz LLMHFKSSIWLVSU-JTQLQIEISA-N 2 2 293.371 -0.333 20 0 CBADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@@H](C)C(=O)N(C)C ZINC001491622741 919237338 /nfs/dbraw/zinc/23/73/38/919237338.db2.gz CLIDVTPLQIJBSM-ZJUUUORDSA-N 2 2 281.360 -0.477 20 0 CBADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1cnn(C)c1 ZINC001491692923 919254773 /nfs/dbraw/zinc/25/47/73/919254773.db2.gz BJCQSHHELXIGGE-NSHDSACASA-N 2 2 276.344 -0.089 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@H](C)CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001492035412 919315975 /nfs/dbraw/zinc/31/59/75/919315975.db2.gz GXJREQWBISNVRP-MNOVXSKESA-N 2 2 295.387 -0.039 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@H](C)CCNC(=O)CCc1c[nH+]c[nH]1 ZINC001492035412 919315990 /nfs/dbraw/zinc/31/59/90/919315990.db2.gz GXJREQWBISNVRP-MNOVXSKESA-N 2 2 295.387 -0.039 20 0 CBADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)[C@H](C)C(N)=O ZINC001492251382 919378561 /nfs/dbraw/zinc/37/85/61/919378561.db2.gz KGRYEIHGVYFAQI-NEPJUHHUSA-N 2 2 284.404 -0.219 20 0 CBADLP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)[C@H](C)C(N)=O ZINC001492251382 919378575 /nfs/dbraw/zinc/37/85/75/919378575.db2.gz KGRYEIHGVYFAQI-NEPJUHHUSA-N 2 2 284.404 -0.219 20 0 CBADLP CC(C)[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)[C@H](C)C(N)=O ZINC001492251382 919378591 /nfs/dbraw/zinc/37/85/91/919378591.db2.gz KGRYEIHGVYFAQI-NEPJUHHUSA-N 2 2 284.404 -0.219 20 0 CBADLP CC(C)[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)[C@H](C)C(N)=O ZINC001492251382 919378605 /nfs/dbraw/zinc/37/86/05/919378605.db2.gz KGRYEIHGVYFAQI-NEPJUHHUSA-N 2 2 284.404 -0.219 20 0 CBADLP CNC(=O)C[N@H+](C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001492370652 919405955 /nfs/dbraw/zinc/40/59/55/919405955.db2.gz VKZLTJJCCMHAFB-UHFFFAOYSA-N 2 2 284.404 -0.345 20 0 CBADLP CNC(=O)C[N@@H+](C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001492370652 919405963 /nfs/dbraw/zinc/40/59/63/919405963.db2.gz VKZLTJJCCMHAFB-UHFFFAOYSA-N 2 2 284.404 -0.345 20 0 CBADLP CNC(=O)C[N@H+](C)CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001492880104 919441379 /nfs/dbraw/zinc/44/13/79/919441379.db2.gz ZQVUFMRGNCGEAO-CQSZACIVSA-N 2 2 298.431 -0.099 20 0 CBADLP CNC(=O)C[N@@H+](C)CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001492880104 919441386 /nfs/dbraw/zinc/44/13/86/919441386.db2.gz ZQVUFMRGNCGEAO-CQSZACIVSA-N 2 2 298.431 -0.099 20 0 CBADLP CN(CC[NH2+][C@@H]1CCNC1=O)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001493585641 919584171 /nfs/dbraw/zinc/58/41/71/919584171.db2.gz YDOWGTUNEMTRPZ-GMTAPVOTSA-N 2 2 291.355 -0.550 20 0 CBADLP CN(CC[NH2+]CCN1CCCC1=O)C(=O)Cc1c[nH+]c[nH]1 ZINC001493710132 919609335 /nfs/dbraw/zinc/60/93/35/919609335.db2.gz WYFVJLJWHWJPBB-UHFFFAOYSA-N 2 2 293.371 -0.377 20 0 CBADLP C[C@@H]1[C@H](C(=O)NC2C[NH+](CCOCCO)C2)CC[N@@H+]1C ZINC001494387586 919693942 /nfs/dbraw/zinc/69/39/42/919693942.db2.gz OYOSWPFEFKVOHI-DGCLKSJQSA-N 2 2 285.388 -0.864 20 0 CBADLP C[C@@H]1[C@H](C(=O)NC2C[NH+](CCOCCO)C2)CC[N@H+]1C ZINC001494387586 919693943 /nfs/dbraw/zinc/69/39/43/919693943.db2.gz OYOSWPFEFKVOHI-DGCLKSJQSA-N 2 2 285.388 -0.864 20 0 CBADLP CNC(=O)C[NH+]1CC(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001494599142 919746679 /nfs/dbraw/zinc/74/66/79/919746679.db2.gz PQCAOKIJYDSWGP-UHFFFAOYSA-N 2 2 296.415 -0.488 20 0 CBADLP CC[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]Cc1cnnn1C ZINC001495080864 919858037 /nfs/dbraw/zinc/85/80/37/919858037.db2.gz TVORYKBUCFCTNK-JTQLQIEISA-N 2 2 291.359 -0.235 20 0 CBADLP NC(=O)C[NH2+]C[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001495582252 919905795 /nfs/dbraw/zinc/90/57/95/919905795.db2.gz ZNJLGFFLSFUZFT-SNVBAGLBSA-N 2 2 265.317 -0.982 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)C[NH2+]CC(N)=O ZINC001495697084 919929613 /nfs/dbraw/zinc/92/96/13/919929613.db2.gz SXMCKLGJWIPTKL-MNOVXSKESA-N 2 2 293.371 -0.727 20 0 CBADLP C[C@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)C[NH2+]CC(N)=O ZINC001495697086 919931598 /nfs/dbraw/zinc/93/15/98/919931598.db2.gz SXMCKLGJWIPTKL-QWRGUYRKSA-N 2 2 293.371 -0.727 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]C[C@H](C)N(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001496084877 920023188 /nfs/dbraw/zinc/02/31/88/920023188.db2.gz YOFCFCIXACAYTD-QWRGUYRKSA-N 2 2 295.387 -0.087 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]C[C@H](C)N(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001496084877 920023202 /nfs/dbraw/zinc/02/32/02/920023202.db2.gz YOFCFCIXACAYTD-QWRGUYRKSA-N 2 2 295.387 -0.087 20 0 CBADLP CNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001496191417 920040756 /nfs/dbraw/zinc/04/07/56/920040756.db2.gz HVTAWVBZCFMHBT-VIFPVBQESA-N 2 2 267.333 -0.865 20 0 CBADLP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001496375204 920063698 /nfs/dbraw/zinc/06/36/98/920063698.db2.gz KZKMSEUOSMTJLL-VXGBXAGGSA-N 2 2 293.371 -0.544 20 0 CBADLP C[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)[C@H]1C[NH2+]CC(N)=O ZINC001496489086 920075009 /nfs/dbraw/zinc/07/50/09/920075009.db2.gz RIVXSRYKSCNZNU-QWRGUYRKSA-N 2 2 293.371 -0.346 20 0 CBADLP CC(C)[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CC(N)=O ZINC001496618742 920098914 /nfs/dbraw/zinc/09/89/14/920098914.db2.gz XRWYMYAUBDOSLB-SECBINFHSA-N 2 2 267.333 -0.832 20 0 CBADLP Cc1oncc1C[NH2+]C[C@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001497081702 920241990 /nfs/dbraw/zinc/24/19/90/920241990.db2.gz TYRXXQUXQUIXGF-NSHDSACASA-N 2 2 293.327 -0.484 20 0 CBADLP CC[NH2+]C[C@H](O)CNC(=O)CCCn1cc[nH+]c1 ZINC001497128071 920256073 /nfs/dbraw/zinc/25/60/73/920256073.db2.gz YJEWCWZOTLIQCS-NSHDSACASA-N 2 2 254.334 -0.250 20 0 CBADLP CC[C@H](F)C[NH2+]C[C@@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001497124873 920256281 /nfs/dbraw/zinc/25/62/81/920256281.db2.gz CEDYHCBEZNLYRJ-WDEREUQCSA-N 2 2 272.324 -0.302 20 0 CBADLP C[C@H](CC[NH2+]CC(N)=O)NC(=O)c1cccc2[nH+]ccn21 ZINC001497226634 920273191 /nfs/dbraw/zinc/27/31/91/920273191.db2.gz ARHHNCGDGLEOMD-SNVBAGLBSA-N 2 2 289.339 -0.082 20 0 CBADLP CC(C)NC(=O)C[NH2+]CC[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001497296210 920280610 /nfs/dbraw/zinc/28/06/10/920280610.db2.gz BUHGJEZSNHSNGM-LLVKDONJSA-N 2 2 295.387 -0.039 20 0 CBADLP C[C@@H](CC[NH2+][C@H]1CCNC1=O)NC(=O)Cn1cc[nH+]c1 ZINC001497338103 920286626 /nfs/dbraw/zinc/28/66/26/920286626.db2.gz YPMKRLVIUCXMRR-QWRGUYRKSA-N 2 2 279.344 -0.744 20 0 CBADLP C[C@H](CC[NH2+][C@H]1CCNC1=O)NC(=O)Cn1cc[nH+]c1 ZINC001497338101 920286835 /nfs/dbraw/zinc/28/68/35/920286835.db2.gz YPMKRLVIUCXMRR-MNOVXSKESA-N 2 2 279.344 -0.744 20 0 CBADLP CCN(CC[NH2+]CCO)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001497403776 920302313 /nfs/dbraw/zinc/30/23/13/920302313.db2.gz OFUNMZIFDRZHBO-GHMZBOCLSA-N 2 2 266.345 -0.056 20 0 CBADLP CCN(CC[NH2+]CCO)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001497403776 920302329 /nfs/dbraw/zinc/30/23/29/920302329.db2.gz OFUNMZIFDRZHBO-GHMZBOCLSA-N 2 2 266.345 -0.056 20 0 CBADLP CCN(CC[NH2+][C@@H](C)C(N)=O)C(=O)CCc1c[nH]c[nH+]1 ZINC001497404687 920302930 /nfs/dbraw/zinc/30/29/30/920302930.db2.gz MUZHKGCBRGSIEO-JTQLQIEISA-N 2 2 281.360 -0.346 20 0 CBADLP CCN(CC[NH2+][C@@H](C)C(N)=O)C(=O)CCc1c[nH+]c[nH]1 ZINC001497404687 920302934 /nfs/dbraw/zinc/30/29/34/920302934.db2.gz MUZHKGCBRGSIEO-JTQLQIEISA-N 2 2 281.360 -0.346 20 0 CBADLP CCNC(=O)C[NH2+]CCN(CC)C(=O)Cn1cc[nH+]c1 ZINC001497506832 920318052 /nfs/dbraw/zinc/31/80/52/920318052.db2.gz VIHSZQZEZMLLBN-UHFFFAOYSA-N 2 2 281.360 -0.543 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]C/C=C\CNC(=O)CCc1c[nH]c[nH+]1 ZINC001497594707 920350521 /nfs/dbraw/zinc/35/05/21/920350521.db2.gz DGKYGLGFWGAGNH-BYCRGOAPSA-N 2 2 293.371 -0.261 20 0 CBADLP CC[C@H]([NH2+]C[C@@H](C)NC(=O)CCn1cc[nH+]c1)C(N)=O ZINC001497874035 920414922 /nfs/dbraw/zinc/41/49/22/920414922.db2.gz MSPRLNMCCZFMQG-MNOVXSKESA-N 2 2 281.360 -0.369 20 0 CBADLP C[C@@H](C[NH2+][C@@H](C)C(=O)N(C)C)NC(=O)Cn1cc[nH+]c1 ZINC001498206961 920514176 /nfs/dbraw/zinc/51/41/76/920514176.db2.gz ILYYYKXHYLNDOJ-QWRGUYRKSA-N 2 2 281.360 -0.546 20 0 CBADLP C[C@@H](C[NH2+][C@@H](C)C(=O)NC1CC1)NC(=O)Cn1cc[nH+]c1 ZINC001498208331 920522748 /nfs/dbraw/zinc/52/27/48/920522748.db2.gz WNBCQOIUZJEBJW-QWRGUYRKSA-N 2 2 293.371 -0.356 20 0 CBADLP CCC[N@H+](C)CC(=O)NC[C@H]1CC[NH+]1[C@H](C)C(=O)N(C)C ZINC001499107035 920705065 /nfs/dbraw/zinc/70/50/65/920705065.db2.gz OOEZQIRUYZQEMH-CHWSQXEVSA-N 2 2 298.431 -0.005 20 0 CBADLP CCC[N@@H+](C)CC(=O)NC[C@H]1CC[NH+]1[C@H](C)C(=O)N(C)C ZINC001499107035 920705074 /nfs/dbraw/zinc/70/50/74/920705074.db2.gz OOEZQIRUYZQEMH-CHWSQXEVSA-N 2 2 298.431 -0.005 20 0 CBADLP CCC[NH+](C)CC(=O)NC[C@H]1CC[N@@H+]1[C@H](C)C(=O)N(C)C ZINC001499107035 920705081 /nfs/dbraw/zinc/70/50/81/920705081.db2.gz OOEZQIRUYZQEMH-CHWSQXEVSA-N 2 2 298.431 -0.005 20 0 CBADLP CCC[NH+](C)CC(=O)NC[C@H]1CC[N@H+]1[C@H](C)C(=O)N(C)C ZINC001499107035 920705090 /nfs/dbraw/zinc/70/50/90/920705090.db2.gz OOEZQIRUYZQEMH-CHWSQXEVSA-N 2 2 298.431 -0.005 20 0 CBADLP O=C(NCC1([NH2+]CCO)CC1)[C@H]1CCn2c[nH+]cc2C1 ZINC001499268272 920729899 /nfs/dbraw/zinc/72/98/99/920729899.db2.gz DAVASGBUXLIIEX-NSHDSACASA-N 2 2 278.356 -0.324 20 0 CBADLP O=C(NCC1([NH2+]CCO)CC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001499268270 920730262 /nfs/dbraw/zinc/73/02/62/920730262.db2.gz DAVASGBUXLIIEX-LLVKDONJSA-N 2 2 278.356 -0.324 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001499362050 920740766 /nfs/dbraw/zinc/74/07/66/920740766.db2.gz JGBBCFKGBQWKRH-SECBINFHSA-N 2 2 279.344 -0.675 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NCC1([NH2+]CCn2cncn2)CC1 ZINC001499362550 920741123 /nfs/dbraw/zinc/74/11/23/920741123.db2.gz OFKGWISZCACCSC-UHFFFAOYSA-N 2 2 289.343 -0.518 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)NCC1([NH2+]CCO)CC1 ZINC001499434284 920746704 /nfs/dbraw/zinc/74/67/04/920746704.db2.gz JLOUAHKWOWEQBB-UHFFFAOYSA-N 2 2 266.345 -0.417 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCC1([NH2+]CCO)CC1 ZINC001499432727 920749521 /nfs/dbraw/zinc/74/95/21/920749521.db2.gz LOSLZVTWCWJHER-UHFFFAOYSA-N 2 2 252.318 -0.509 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)N(C)C2C[NH+](CCCOC)C2)C1 ZINC001499790022 920772718 /nfs/dbraw/zinc/77/27/18/920772718.db2.gz AROXMYFUCPJVHC-CQSZACIVSA-N 2 2 299.415 -0.114 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)N(C)C2C[NH+](CCCOC)C2)C1 ZINC001499790022 920772733 /nfs/dbraw/zinc/77/27/33/920772733.db2.gz AROXMYFUCPJVHC-CQSZACIVSA-N 2 2 299.415 -0.114 20 0 CBADLP C[C@H]1CC[N@H+](CC(=O)N[C@]2(C)CC[NH+](CC(N)=O)C2)C1 ZINC001500257775 920823453 /nfs/dbraw/zinc/82/34/53/920823453.db2.gz MOYNAJTVSZHZKK-SMDDNHRTSA-N 2 2 282.388 -0.606 20 0 CBADLP C[C@H]1CC[N@@H+](CC(=O)N[C@]2(C)CC[NH+](CC(N)=O)C2)C1 ZINC001500257775 920823461 /nfs/dbraw/zinc/82/34/61/920823461.db2.gz MOYNAJTVSZHZKK-SMDDNHRTSA-N 2 2 282.388 -0.606 20 0 CBADLP C[C@H]1CC[NH+](CC(=O)N[C@]2(C)CC[N@H+](CC(N)=O)C2)C1 ZINC001500257775 920823469 /nfs/dbraw/zinc/82/34/69/920823469.db2.gz MOYNAJTVSZHZKK-SMDDNHRTSA-N 2 2 282.388 -0.606 20 0 CBADLP C[C@H]1CC[NH+](CC(=O)N[C@]2(C)CC[N@@H+](CC(N)=O)C2)C1 ZINC001500257775 920823478 /nfs/dbraw/zinc/82/34/78/920823478.db2.gz MOYNAJTVSZHZKK-SMDDNHRTSA-N 2 2 282.388 -0.606 20 0 CBADLP CCNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001500290809 920828775 /nfs/dbraw/zinc/82/87/75/920828775.db2.gz XEIIZQZBONFQRJ-OAHLLOKOSA-N 2 2 296.415 -0.201 20 0 CBADLP CCNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001500290809 920828788 /nfs/dbraw/zinc/82/87/88/920828788.db2.gz XEIIZQZBONFQRJ-OAHLLOKOSA-N 2 2 296.415 -0.201 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NCC1([NH2+]CCO)CCOCC1 ZINC001500592764 920841044 /nfs/dbraw/zinc/84/10/44/920841044.db2.gz ONKCIHBSJIAYAP-UHFFFAOYSA-N 2 2 282.344 -0.801 20 0 CBADLP CCOCC[N@@H+]1CC[C@@](O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001500732033 920869943 /nfs/dbraw/zinc/86/99/43/920869943.db2.gz AZJPGQFQYAWSSO-CQSZACIVSA-N 2 2 296.371 -0.458 20 0 CBADLP CCOCC[N@H+]1CC[C@@](O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001500732033 920869956 /nfs/dbraw/zinc/86/99/56/920869956.db2.gz AZJPGQFQYAWSSO-CQSZACIVSA-N 2 2 296.371 -0.458 20 0 CBADLP COCCC[NH+]1CC(O)(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001500866608 920908596 /nfs/dbraw/zinc/90/85/96/920908596.db2.gz OIYOWUJYCQPRPY-CYBMUJFWSA-N 2 2 299.415 -0.330 20 0 CBADLP COCCC[NH+]1CC(O)(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001500866608 920908608 /nfs/dbraw/zinc/90/86/08/920908608.db2.gz OIYOWUJYCQPRPY-CYBMUJFWSA-N 2 2 299.415 -0.330 20 0 CBADLP C[NH+](C)CCC(=O)N[C@]1(CO)CCC[N@H+](CCF)C1 ZINC001501345102 920974758 /nfs/dbraw/zinc/97/47/58/920974758.db2.gz BIOMMPJKKXJGHQ-CYBMUJFWSA-N 2 2 275.368 -0.149 20 0 CBADLP C[NH+](C)CCC(=O)N[C@]1(CO)CCC[N@@H+](CCF)C1 ZINC001501345102 920974773 /nfs/dbraw/zinc/97/47/73/920974773.db2.gz BIOMMPJKKXJGHQ-CYBMUJFWSA-N 2 2 275.368 -0.149 20 0 CBADLP CC[NH2+]CCN(CCO)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001501466456 921023599 /nfs/dbraw/zinc/02/35/99/921023599.db2.gz SRDHCIBJBDOUFK-LBPRGKRZSA-N 2 2 280.372 -0.124 20 0 CBADLP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2COCC[NH+]2CCCO)C1 ZINC001501838796 921067070 /nfs/dbraw/zinc/06/70/70/921067070.db2.gz PVOLKBXZJQPBOH-KGLIPLIRSA-N 2 2 299.415 -0.472 20 0 CBADLP C[N@H+]1CC[C@H](CC(=O)NC[C@H]2COCC[NH+]2CCCO)C1 ZINC001501838796 921067084 /nfs/dbraw/zinc/06/70/84/921067084.db2.gz PVOLKBXZJQPBOH-KGLIPLIRSA-N 2 2 299.415 -0.472 20 0 CBADLP C[NH+]1CC[C@H](CC(=O)NC[C@H]2COCC[N@@H+]2CCCO)C1 ZINC001501838796 921067101 /nfs/dbraw/zinc/06/71/01/921067101.db2.gz PVOLKBXZJQPBOH-KGLIPLIRSA-N 2 2 299.415 -0.472 20 0 CBADLP C[NH+]1CC[C@H](CC(=O)NC[C@H]2COCC[N@H+]2CCCO)C1 ZINC001501838796 921067116 /nfs/dbraw/zinc/06/71/16/921067116.db2.gz PVOLKBXZJQPBOH-KGLIPLIRSA-N 2 2 299.415 -0.472 20 0 CBADLP CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001507488882 921850909 /nfs/dbraw/zinc/85/09/09/921850909.db2.gz NPZPDUOEWCVQTC-YPMHNXCESA-N 2 2 280.372 -0.126 20 0 CBADLP C[C@@H](O)C[NH2+]C[C@H](O)CN(C)C(=O)CCc1c[nH+]cn1C ZINC001507553529 921868706 /nfs/dbraw/zinc/86/87/06/921868706.db2.gz VXBNGFGNHOPVCV-YPMHNXCESA-N 2 2 298.387 -0.858 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N(C)C[C@@H](O)C[N@H+](C)CCF ZINC001507726564 921894241 /nfs/dbraw/zinc/89/42/41/921894241.db2.gz GUEZHWVSWLRQQV-LBPRGKRZSA-N 2 2 286.351 -0.088 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N(C)C[C@@H](O)C[N@@H+](C)CCF ZINC001507726564 921894250 /nfs/dbraw/zinc/89/42/50/921894250.db2.gz GUEZHWVSWLRQQV-LBPRGKRZSA-N 2 2 286.351 -0.088 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C[NH2+]CC(N)=O)C(C)(C)C ZINC001508027828 921903431 /nfs/dbraw/zinc/90/34/31/921903431.db2.gz MFQGHULURLVVHF-LLVKDONJSA-N 2 2 295.387 -0.134 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H]2C[N@@H+]3CCN2C[C@@H]3C)CC1 ZINC001518741436 922267326 /nfs/dbraw/zinc/26/73/26/922267326.db2.gz HNFFFUMSBIFCBX-QWHCGFSZSA-N 2 2 266.389 -0.461 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H]2C[N@H+]3CCN2C[C@@H]3C)CC1 ZINC001518741436 922267344 /nfs/dbraw/zinc/26/73/44/922267344.db2.gz HNFFFUMSBIFCBX-QWHCGFSZSA-N 2 2 266.389 -0.461 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@]1(C)C[C@H](O)C[NH2+]1 ZINC001521444961 922356386 /nfs/dbraw/zinc/35/63/86/922356386.db2.gz AXLHAVAODIWTOY-SCVCMEIPSA-N 2 2 252.318 -0.499 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1COC2(C[NH2+]C2)C1 ZINC001521975327 922392955 /nfs/dbraw/zinc/39/29/55/922392955.db2.gz RWEPDEJTNXEQEM-SECBINFHSA-N 2 2 250.302 -0.492 20 0 CBADLP C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001522262788 922404899 /nfs/dbraw/zinc/40/48/99/922404899.db2.gz BNDVHRLKRMDJGL-MWLCHTKSSA-N 2 2 254.334 -0.373 20 0 CBADLP C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001522262788 922404907 /nfs/dbraw/zinc/40/49/07/922404907.db2.gz BNDVHRLKRMDJGL-MWLCHTKSSA-N 2 2 254.334 -0.373 20 0 CBADLP C[C@@H](CC(=O)N1CC[NH2+]C[C@@H]1CO)n1cc[nH+]c1 ZINC001522419108 922411964 /nfs/dbraw/zinc/41/19/64/922411964.db2.gz VTMQEDKYMOPPDM-WDEREUQCSA-N 2 2 252.318 -0.373 20 0 CBADLP C[N@@H+]1CC[C@H](C(=O)NCCCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001522918957 922548538 /nfs/dbraw/zinc/54/85/38/922548538.db2.gz DMAQNCAXBKJLAR-NSHDSACASA-N 2 2 293.371 -0.474 20 0 CBADLP C[N@H+]1CC[C@H](C(=O)NCCCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001522918957 922548545 /nfs/dbraw/zinc/54/85/45/922548545.db2.gz DMAQNCAXBKJLAR-NSHDSACASA-N 2 2 293.371 -0.474 20 0 CBADLP C[C@H](C(=O)N1CC[C@@H](CC[NH3+])C1)N1CC[NH2+]CC1=O ZINC001523019737 922562236 /nfs/dbraw/zinc/56/22/36/922562236.db2.gz XYYYQXSTBIXDOT-GHMZBOCLSA-N 2 2 268.361 -0.996 20 0 CBADLP COCC[N@@H+]1CCN(C(=O)c2cnc(C[NH3+])nc2)C[C@H]1C ZINC001548444198 923353514 /nfs/dbraw/zinc/35/35/14/923353514.db2.gz LWHMQHUSHSFQAA-LLVKDONJSA-N 2 2 293.371 -0.272 20 0 CBADLP COCC[N@H+]1CCN(C(=O)c2cnc(C[NH3+])nc2)C[C@H]1C ZINC001548444198 923353530 /nfs/dbraw/zinc/35/35/30/923353530.db2.gz LWHMQHUSHSFQAA-LLVKDONJSA-N 2 2 293.371 -0.272 20 0 CBADLP C[C@H](O)C[NH+]1CCN(C(=O)C[NH+]2CCC(CO)CC2)CC1 ZINC001548434517 923355411 /nfs/dbraw/zinc/35/54/11/923355411.db2.gz AENOFFFOBYFFKS-ZDUSSCGKSA-N 2 2 299.415 -0.784 20 0 CBADLP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001548550951 923374291 /nfs/dbraw/zinc/37/42/91/923374291.db2.gz YYKQTCPPSAVTIN-CHWSQXEVSA-N 2 2 292.383 -0.053 20 0 CBADLP CN1CC[NH2+]C[C@H]1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC001548560386 923384366 /nfs/dbraw/zinc/38/43/66/923384366.db2.gz WYOAAFCCUBQWAP-OLZOCXBDSA-N 2 2 289.383 -0.320 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@]23C[NH2+]C[C@H]2CCO3)[C@H](C)CO1 ZINC001548569004 923391646 /nfs/dbraw/zinc/39/16/46/923391646.db2.gz KWAOLODJDXXMOJ-BHPKHCPMSA-N 2 2 297.399 -0.410 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@]23C[NH2+]C[C@H]2CCO3)[C@H](C)CO1 ZINC001548569004 923391656 /nfs/dbraw/zinc/39/16/56/923391656.db2.gz KWAOLODJDXXMOJ-BHPKHCPMSA-N 2 2 297.399 -0.410 20 0 CBADLP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CC[NH+](C)[C@H](C)[C@@H]1C ZINC001548680134 923441151 /nfs/dbraw/zinc/44/11/51/923441151.db2.gz NFHSKVVAQIPSIA-YIYPIFLZSA-N 2 2 280.416 -0.074 20 0 CBADLP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CC[NH+](C)[C@H](C)[C@@H]1C ZINC001548680134 923441165 /nfs/dbraw/zinc/44/11/65/923441165.db2.gz NFHSKVVAQIPSIA-YIYPIFLZSA-N 2 2 280.416 -0.074 20 0 CBADLP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC001548680134 923441176 /nfs/dbraw/zinc/44/11/76/923441176.db2.gz NFHSKVVAQIPSIA-YIYPIFLZSA-N 2 2 280.416 -0.074 20 0 CBADLP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC001548680134 923441189 /nfs/dbraw/zinc/44/11/89/923441189.db2.gz NFHSKVVAQIPSIA-YIYPIFLZSA-N 2 2 280.416 -0.074 20 0 CBADLP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CC[NH+](C)[C@H](C)[C@@H]1C ZINC001548680129 923441385 /nfs/dbraw/zinc/44/13/85/923441385.db2.gz NFHSKVVAQIPSIA-MQYQWHSLSA-N 2 2 280.416 -0.074 20 0 CBADLP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CC[NH+](C)[C@H](C)[C@@H]1C ZINC001548680129 923441398 /nfs/dbraw/zinc/44/13/98/923441398.db2.gz NFHSKVVAQIPSIA-MQYQWHSLSA-N 2 2 280.416 -0.074 20 0 CBADLP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC001548680129 923441409 /nfs/dbraw/zinc/44/14/09/923441409.db2.gz NFHSKVVAQIPSIA-MQYQWHSLSA-N 2 2 280.416 -0.074 20 0 CBADLP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC001548680129 923441413 /nfs/dbraw/zinc/44/14/13/923441413.db2.gz NFHSKVVAQIPSIA-MQYQWHSLSA-N 2 2 280.416 -0.074 20 0 CBADLP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC001548723972 923475829 /nfs/dbraw/zinc/47/58/29/923475829.db2.gz FLPZZPFMSOMQSJ-DYEKYZERSA-N 2 2 289.383 -0.298 20 0 CBADLP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC001548723972 923475836 /nfs/dbraw/zinc/47/58/36/923475836.db2.gz FLPZZPFMSOMQSJ-DYEKYZERSA-N 2 2 289.383 -0.298 20 0 CBADLP C[NH+](C)C[C@]1(O)CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001548745364 923490419 /nfs/dbraw/zinc/49/04/19/923490419.db2.gz PCQUSVXOBGLEBI-IUODEOHRSA-N 2 2 292.383 -0.030 20 0 CBADLP C[NH+](C)C[C@]1(O)CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001548751178 923494087 /nfs/dbraw/zinc/49/40/87/923494087.db2.gz VHDNRWDCKJLWAM-IUODEOHRSA-N 2 2 292.383 -0.030 20 0 CBADLP C[NH+](C)C[C@@]1(O)CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001548751176 923494709 /nfs/dbraw/zinc/49/47/09/923494709.db2.gz VHDNRWDCKJLWAM-DOMZBBRYSA-N 2 2 292.383 -0.030 20 0 CBADLP [NH3+]C[C@@]12CCC[C@@H]1CN(C(=O)CN1CC[NH2+]CC1=O)C2 ZINC001549130543 923560696 /nfs/dbraw/zinc/56/06/96/923560696.db2.gz MJEGIPHCARWQQN-BXUZGUMPSA-N 2 2 280.372 -0.994 20 0 CBADLP O=C(C[C@@H]1C[NH2+]CCO1)Nc1cn[nH]c1[C@H]1CC[NH2+]C1 ZINC001549747156 923643016 /nfs/dbraw/zinc/64/30/16/923643016.db2.gz RLOKYBTVCLVTCJ-VHSXEESVSA-N 2 2 279.344 -0.196 20 0 CBADLP O=C(C[C@H]1C[NH2+]CCO1)Nc1cn[nH]c1[C@H]1CC[NH2+]C1 ZINC001549747154 923643203 /nfs/dbraw/zinc/64/32/03/923643203.db2.gz RLOKYBTVCLVTCJ-UWVGGRQHSA-N 2 2 279.344 -0.196 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC001550060507 923662088 /nfs/dbraw/zinc/66/20/88/923662088.db2.gz JAYWIBRRUDNONN-NWDGAFQWSA-N 2 2 264.329 -0.150 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC001550060508 923662855 /nfs/dbraw/zinc/66/28/55/923662855.db2.gz JAYWIBRRUDNONN-RYUDHWBXSA-N 2 2 264.329 -0.150 20 0 CBADLP OC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC001550148383 923699434 /nfs/dbraw/zinc/69/94/34/923699434.db2.gz NAFRGZFKTKADJA-YHUYYLMFSA-N 2 2 295.427 -0.010 20 0 CBADLP OC[C@@H]1C[N@H+]2CCC[C@H]2CN1CC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC001550148383 923699447 /nfs/dbraw/zinc/69/94/47/923699447.db2.gz NAFRGZFKTKADJA-YHUYYLMFSA-N 2 2 295.427 -0.010 20 0 CBADLP OC[C@@H]1C[NH+]2CCC[C@H]2CN1CC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC001550148383 923699458 /nfs/dbraw/zinc/69/94/58/923699458.db2.gz NAFRGZFKTKADJA-YHUYYLMFSA-N 2 2 295.427 -0.010 20 0 CBADLP OC[C@@H]1C[NH+]2CCC[C@H]2CN1CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC001550148383 923699471 /nfs/dbraw/zinc/69/94/71/923699471.db2.gz NAFRGZFKTKADJA-YHUYYLMFSA-N 2 2 295.427 -0.010 20 0 CBADLP O=C(C[N@@H+]1CCOC[C@H]1C[C@H]1CCCO1)N1CC[NH2+]CC1 ZINC001551395115 923771564 /nfs/dbraw/zinc/77/15/64/923771564.db2.gz KRDYHPFLSRQHNJ-ZIAGYGMSSA-N 2 2 297.399 -0.312 20 0 CBADLP O=C(C[N@H+]1CCOC[C@H]1C[C@H]1CCCO1)N1CC[NH2+]CC1 ZINC001551395115 923771576 /nfs/dbraw/zinc/77/15/76/923771576.db2.gz KRDYHPFLSRQHNJ-ZIAGYGMSSA-N 2 2 297.399 -0.312 20 0 CBADLP CNC(=O)[C@@]12C[N@H+](C[C@@H]3C[NH2+]CCO3)C[C@@H]1COCC2 ZINC001551407114 923771712 /nfs/dbraw/zinc/77/17/12/923771712.db2.gz FUSCAYAOCCPUHJ-DYEKYZERSA-N 2 2 283.372 -0.941 20 0 CBADLP CNC(=O)[C@@]12C[N@@H+](C[C@@H]3C[NH2+]CCO3)C[C@@H]1COCC2 ZINC001551407114 923771725 /nfs/dbraw/zinc/77/17/25/923771725.db2.gz FUSCAYAOCCPUHJ-DYEKYZERSA-N 2 2 283.372 -0.941 20 0 CBADLP C[C@H](CNC(=O)NC1CC2(C[C@@H]2[NH3+])C1)[NH+]1CCOCC1 ZINC001551579496 923805645 /nfs/dbraw/zinc/80/56/45/923805645.db2.gz CADMOXLWDBUMGE-JJMZSNKZSA-N 2 2 282.388 -0.114 20 0 CBADLP C[N@@H+]1CCO[C@H](CNC(=O)NC2CC3(C[C@@H]3[NH3+])C2)C1 ZINC001551590485 923808487 /nfs/dbraw/zinc/80/84/87/923808487.db2.gz OQEKRAKICQWWLO-ZUXSNHBTSA-N 2 2 268.361 -0.504 20 0 CBADLP C[N@H+]1CCO[C@H](CNC(=O)NC2CC3(C[C@@H]3[NH3+])C2)C1 ZINC001551590485 923808498 /nfs/dbraw/zinc/80/84/98/923808498.db2.gz OQEKRAKICQWWLO-ZUXSNHBTSA-N 2 2 268.361 -0.504 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NC1CC2(C[C@@H]2[NH3+])C1 ZINC001551599708 923808933 /nfs/dbraw/zinc/80/89/33/923808933.db2.gz OKBCWFFIACLZCY-JJMZSNKZSA-N 2 2 282.388 -0.114 20 0 CBADLP Cc1[nH+]c[nH]c1CNC(=O)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001552168125 923844229 /nfs/dbraw/zinc/84/42/29/923844229.db2.gz OTHUTRANHQNNMB-VIFPVBQESA-N 2 2 275.316 -0.226 20 0 CBADLP O=C(NCCn1cc[nH+]c1)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552199450 923855520 /nfs/dbraw/zinc/85/55/20/923855520.db2.gz FVRDPZFPLYLGEY-CMPLNLGQSA-N 2 2 250.302 -0.765 20 0 CBADLP C[C@H](NC(=O)[C@]12C[NH2+]C[C@@H]1COC2)[C@H](C)[NH+]1CCOCC1 ZINC001552201572 923858613 /nfs/dbraw/zinc/85/86/13/923858613.db2.gz SEGVBZGCAWDELT-XPCVCDNBSA-N 2 2 297.399 -0.552 20 0 CBADLP Cc1[nH+]c[nH]c1CNC(=O)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552201119 923860890 /nfs/dbraw/zinc/86/08/90/923860890.db2.gz ROSUVFQETQZONI-BXKDBHETSA-N 2 2 250.302 -0.430 20 0 CBADLP C[N@@H+]1CCO[C@@H]2CCN(C(=O)[C@]34C[NH2+]C[C@H]3COC4)C[C@H]21 ZINC001552205396 923868513 /nfs/dbraw/zinc/86/85/13/923868513.db2.gz XORFFRKWWPTMTN-JLNYLFASSA-N 2 2 295.383 -0.846 20 0 CBADLP C[N@H+]1CCO[C@@H]2CCN(C(=O)[C@]34C[NH2+]C[C@H]3COC4)C[C@H]21 ZINC001552205396 923868529 /nfs/dbraw/zinc/86/85/29/923868529.db2.gz XORFFRKWWPTMTN-JLNYLFASSA-N 2 2 295.383 -0.846 20 0 CBADLP C[C@@H]1[NH2+]CC[C@@H]1NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC001552244759 923874282 /nfs/dbraw/zinc/87/42/82/923874282.db2.gz BLUPOKUAMVJQDK-RVMXOQNASA-N 2 2 282.388 -0.101 20 0 CBADLP C[C@@H]1[NH2+]CC[C@@H]1NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC001552244759 923874294 /nfs/dbraw/zinc/87/42/94/923874294.db2.gz BLUPOKUAMVJQDK-RVMXOQNASA-N 2 2 282.388 -0.101 20 0 CBADLP C[NH+]1CCC[C@@H]1c1cc(C(=O)N[C@@H]2C[N@H+](C)C[C@@H]2O)[nH]n1 ZINC001552362491 923889888 /nfs/dbraw/zinc/88/98/88/923889888.db2.gz QZARDBNPSVIEFV-UPJWGTAASA-N 2 2 293.371 -0.419 20 0 CBADLP C[NH+]1CCC[C@@H]1c1cc(C(=O)N[C@@H]2C[N@@H+](C)C[C@@H]2O)[nH]n1 ZINC001552362491 923889897 /nfs/dbraw/zinc/88/98/97/923889897.db2.gz QZARDBNPSVIEFV-UPJWGTAASA-N 2 2 293.371 -0.419 20 0 CBADLP C[NH+]1C[C@@H](NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)[C@@H](O)C1 ZINC001552362491 923889914 /nfs/dbraw/zinc/88/99/14/923889914.db2.gz QZARDBNPSVIEFV-UPJWGTAASA-N 2 2 293.371 -0.419 20 0 CBADLP C[NH+]1C[C@@H](NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)[C@@H](O)C1 ZINC001552362491 923889925 /nfs/dbraw/zinc/88/99/25/923889925.db2.gz QZARDBNPSVIEFV-UPJWGTAASA-N 2 2 293.371 -0.419 20 0 CBADLP C[N@@H+]1CC[C@H]1CNC(=O)N1CC[C@H](N2CC[NH+](C)CC2)C1 ZINC001553022423 923934996 /nfs/dbraw/zinc/93/49/96/923934996.db2.gz SLPYRDSMTPUXNW-KBPBESRZSA-N 2 2 295.431 -0.278 20 0 CBADLP C[N@H+]1CC[C@H]1CNC(=O)N1CC[C@H](N2CC[NH+](C)CC2)C1 ZINC001553022423 923935006 /nfs/dbraw/zinc/93/50/06/923935006.db2.gz SLPYRDSMTPUXNW-KBPBESRZSA-N 2 2 295.431 -0.278 20 0 CBADLP CN1CC[NH+]([C@H]2CCN(C(=O)NC[C@@H]3CC[N@@H+]3C)C2)CC1 ZINC001553022423 923935020 /nfs/dbraw/zinc/93/50/20/923935020.db2.gz SLPYRDSMTPUXNW-KBPBESRZSA-N 2 2 295.431 -0.278 20 0 CBADLP CN1CC[NH+]([C@H]2CCN(C(=O)NC[C@@H]3CC[N@H+]3C)C2)CC1 ZINC001553022423 923935028 /nfs/dbraw/zinc/93/50/28/923935028.db2.gz SLPYRDSMTPUXNW-KBPBESRZSA-N 2 2 295.431 -0.278 20 0 CBADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](C[C@@H]3CCCC[NH2+]C3)CCN2C1=O ZINC001553304954 923948103 /nfs/dbraw/zinc/94/81/03/923948103.db2.gz QHHBLJPCFDTVBN-JHJVBQTASA-N 3 2 266.389 -0.380 20 0 CBADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](C[C@@H]3CCCC[NH2+]C3)CCN2C1=O ZINC001553304954 923948116 /nfs/dbraw/zinc/94/81/16/923948116.db2.gz QHHBLJPCFDTVBN-JHJVBQTASA-N 3 2 266.389 -0.380 20 0 CBADLP O=C([C@H]1CC[C@@H](C[NH+]2CCOCC2)O1)N1CCC[NH2+]CC1 ZINC001553348313 923952555 /nfs/dbraw/zinc/95/25/55/923952555.db2.gz IQLPVWGFAIWADB-UONOGXRCSA-N 2 2 297.399 -0.312 20 0 CBADLP [NH3+]C[C@H](NC(=O)[C@H]1CC[C@H](C[NH+]2CCOCC2)O1)C1CC1 ZINC001553360151 923965427 /nfs/dbraw/zinc/96/54/27/923965427.db2.gz ZEZCXJMUXDLWFF-HZSPNIEDSA-N 2 2 297.399 -0.280 20 0 CBADLP COCC[N@@H+]1CCN(C(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)C[C@@H]1C ZINC001553406789 923979907 /nfs/dbraw/zinc/97/99/07/923979907.db2.gz FYVFKPJZYWROSX-CRWXNKLISA-N 2 2 297.399 -0.315 20 0 CBADLP COCC[N@H+]1CCN(C(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)C[C@@H]1C ZINC001553406789 923979920 /nfs/dbraw/zinc/97/99/20/923979920.db2.gz FYVFKPJZYWROSX-CRWXNKLISA-N 2 2 297.399 -0.315 20 0 CBADLP CC1(C)C[N@H+](CCNC(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)CCO1 ZINC001553406069 923980364 /nfs/dbraw/zinc/98/03/64/923980364.db2.gz DHNKCVGAGHUITM-AVGNSLFASA-N 2 2 297.399 -0.267 20 0 CBADLP CC1(C)C[N@@H+](CCNC(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)CCO1 ZINC001553406069 923980376 /nfs/dbraw/zinc/98/03/76/923980376.db2.gz DHNKCVGAGHUITM-AVGNSLFASA-N 2 2 297.399 -0.267 20 0 CBADLP CC1(C)C[N@H+](CCNC(=O)[C@@H]2C[C@H]3OCC[C@H]3[NH2+]2)CCO1 ZINC001553406072 923980535 /nfs/dbraw/zinc/98/05/35/923980535.db2.gz DHNKCVGAGHUITM-FRRDWIJNSA-N 2 2 297.399 -0.267 20 0 CBADLP CC1(C)C[N@@H+](CCNC(=O)[C@@H]2C[C@H]3OCC[C@H]3[NH2+]2)CCO1 ZINC001553406072 923980542 /nfs/dbraw/zinc/98/05/42/923980542.db2.gz DHNKCVGAGHUITM-FRRDWIJNSA-N 2 2 297.399 -0.267 20 0 CBADLP O=C(N[C@@H]1C[NH2+]CC(F)(F)C1)[C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1 ZINC001553407557 923980736 /nfs/dbraw/zinc/98/07/36/923980736.db2.gz HJPYEKSERCNAMM-JXUBOQSCSA-N 2 2 275.299 -0.381 20 0 CBADLP Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1C[C@H]2OCC[C@H]2[NH2+]1 ZINC001553414024 923987512 /nfs/dbraw/zinc/98/75/12/923987512.db2.gz WSOJRKMHTJAPGO-WCABBAIRSA-N 2 2 250.302 -0.146 20 0 CBADLP C[C@@H](CNC(=O)N1C[C@@H]2[C@@H](C[NH3+])[C@@H]2C1)[NH+]1CCOCC1 ZINC001553426159 923992541 /nfs/dbraw/zinc/99/25/41/923992541.db2.gz IEIIYDVVWFEICP-ZDEQEGDKSA-N 2 2 282.388 -0.447 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001553427650 923996185 /nfs/dbraw/zinc/99/61/85/923996185.db2.gz RIAYWWRSUXMABD-DYEKYZERSA-N 2 2 282.388 -0.160 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1C[C@@H]2[C@@H](C[NH3+])[C@@H]2C1 ZINC001553427750 923996600 /nfs/dbraw/zinc/99/66/00/923996600.db2.gz SOKQJSDQCFQSCJ-ZDEQEGDKSA-N 2 2 282.388 -0.447 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001553427653 923996860 /nfs/dbraw/zinc/99/68/60/923996860.db2.gz RIAYWWRSUXMABD-YRGRVCCFSA-N 2 2 282.388 -0.160 20 0 CBADLP C[C@H](Cc1[nH+]ccn1C)NC(=O)[C@@H]1C[C@H]2OCC[C@@H]2[NH2+]1 ZINC001553427975 923997035 /nfs/dbraw/zinc/99/70/35/923997035.db2.gz KMWCBKKGFAYAAG-NOOOWODRSA-N 2 2 278.356 -0.013 20 0 CBADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001553448105 924000583 /nfs/dbraw/zinc/00/05/83/924000583.db2.gz LPYTZUGGBNUXPN-IPYPFGDCSA-N 2 2 295.431 -0.245 20 0 CBADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N1C[C@@H]2[C@@H](C[NH3+])[C@@H]2C1 ZINC001553524542 924023280 /nfs/dbraw/zinc/02/32/80/924023280.db2.gz DXVOLUXGQKGIMK-SYQHCUMBSA-N 2 2 296.415 -0.057 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)CC1 ZINC001553528232 924025480 /nfs/dbraw/zinc/02/54/80/924025480.db2.gz NDOWCTLOIFVIKS-KGLIPLIRSA-N 3 2 295.431 -0.055 20 0 CBADLP C[N@@H+]1C[C@H](O)[C@@H](NC(=O)[C@@H]2CC[NH+]2C2CCCC2)C1 ZINC001553646026 924032380 /nfs/dbraw/zinc/03/23/80/924032380.db2.gz CGZAZTSPJKDREZ-AVGNSLFASA-N 2 2 267.373 -0.206 20 0 CBADLP C[N@H+]1C[C@H](O)[C@@H](NC(=O)[C@@H]2CC[NH+]2C2CCCC2)C1 ZINC001553646026 924032386 /nfs/dbraw/zinc/03/23/86/924032386.db2.gz CGZAZTSPJKDREZ-AVGNSLFASA-N 2 2 267.373 -0.206 20 0 CBADLP C[NH+]1C[C@H](O)[C@@H](NC(=O)[C@@H]2CC[N@@H+]2C2CCCC2)C1 ZINC001553646026 924032402 /nfs/dbraw/zinc/03/24/02/924032402.db2.gz CGZAZTSPJKDREZ-AVGNSLFASA-N 2 2 267.373 -0.206 20 0 CBADLP C[NH+]1C[C@H](O)[C@@H](NC(=O)[C@@H]2CC[N@H+]2C2CCCC2)C1 ZINC001553646026 924032414 /nfs/dbraw/zinc/03/24/14/924032414.db2.gz CGZAZTSPJKDREZ-AVGNSLFASA-N 2 2 267.373 -0.206 20 0 CBADLP CC[N@@H+]1CC[C@@H]1C(=O)N1CC[NH+](CCO)C[C@H]1C ZINC001557001387 924099084 /nfs/dbraw/zinc/09/90/84/924099084.db2.gz XVXTVWRNCCUAOO-VXGBXAGGSA-N 2 2 255.362 -0.394 20 0 CBADLP CC[N@H+]1CC[C@@H]1C(=O)N1CC[NH+](CCO)C[C@H]1C ZINC001557001387 924099094 /nfs/dbraw/zinc/09/90/94/924099094.db2.gz XVXTVWRNCCUAOO-VXGBXAGGSA-N 2 2 255.362 -0.394 20 0 CBADLP CC[NH+]1CC[C@@H]1C(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC001557001387 924099104 /nfs/dbraw/zinc/09/91/04/924099104.db2.gz XVXTVWRNCCUAOO-VXGBXAGGSA-N 2 2 255.362 -0.394 20 0 CBADLP CC[NH+]1CC[C@@H]1C(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC001557001387 924099115 /nfs/dbraw/zinc/09/91/15/924099115.db2.gz XVXTVWRNCCUAOO-VXGBXAGGSA-N 2 2 255.362 -0.394 20 0 CBADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[N@H+](C)CCO ZINC001558359143 924169782 /nfs/dbraw/zinc/16/97/82/924169782.db2.gz RNDBFENQPIPJLV-GHMZBOCLSA-N 2 2 266.345 -0.436 20 0 CBADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[N@@H+](C)CCO ZINC001558359143 924169787 /nfs/dbraw/zinc/16/97/87/924169787.db2.gz RNDBFENQPIPJLV-GHMZBOCLSA-N 2 2 266.345 -0.436 20 0 CBADLP COCC[N@H+](C)CCNC(=O)NCCn1cc[nH+]c1 ZINC000171189178 230175956 /nfs/dbraw/zinc/17/59/56/230175956.db2.gz CMRUXOVWKBSQGP-UHFFFAOYSA-N 2 2 269.349 -0.240 20 0 CBADLP COCC[N@@H+](C)CCNC(=O)NCCn1cc[nH+]c1 ZINC000171189178 230175959 /nfs/dbraw/zinc/17/59/59/230175959.db2.gz CMRUXOVWKBSQGP-UHFFFAOYSA-N 2 2 269.349 -0.240 20 0 CBADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H]2CCCC(=O)N2)CC1 ZINC000337868626 214292576 /nfs/dbraw/zinc/29/25/76/214292576.db2.gz SLPTUMGQKGCKLN-ZDUSSCGKSA-N 2 2 296.415 -0.203 20 0 CBADLP O=C(NC[C@H](O)C[NH+]1CCOCC1)[C@H]1C[NH+]2CCC1CC2 ZINC000372285312 295676931 /nfs/dbraw/zinc/67/69/31/295676931.db2.gz LHDAWIRIUCLNRK-KBPBESRZSA-N 2 2 297.399 -0.863 20 0 CBADLP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000126139133 187220185 /nfs/dbraw/zinc/22/01/85/187220185.db2.gz IBRYNSSKNCYREM-PWSUYJOCSA-N 2 2 281.360 -0.513 20 0 CBADLP Cc1cc(N2CC[NH+](CCS(N)(=O)=O)CC2)nc(C)[nH+]1 ZINC000157669461 136396351 /nfs/dbraw/zinc/39/63/51/136396351.db2.gz GBWNCPHFBICBOD-UHFFFAOYSA-N 2 2 299.400 -0.496 20 0 CBADLP C[C@@H](C(=O)N1CCC([N@H+](C)CCO)CC1)[NH+]1CCOCC1 ZINC000351486329 219103185 /nfs/dbraw/zinc/10/31/85/219103185.db2.gz NMSQWBOIUHNFEA-ZDUSSCGKSA-N 2 2 299.415 -0.378 20 0 CBADLP C[C@@H](C(=O)N1CCC([N@@H+](C)CCO)CC1)[NH+]1CCOCC1 ZINC000351486329 219103187 /nfs/dbraw/zinc/10/31/87/219103187.db2.gz NMSQWBOIUHNFEA-ZDUSSCGKSA-N 2 2 299.415 -0.378 20 0 CBADLP Cn1cc(C[N@H+](C)CCCN2CC[NH+](C)CC2)nn1 ZINC000336806728 529887850 /nfs/dbraw/zinc/88/78/50/529887850.db2.gz LONFHRIGOQVVMV-UHFFFAOYSA-N 2 2 266.393 -0.116 20 0 CBADLP Cn1cc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)nn1 ZINC000336806728 529887851 /nfs/dbraw/zinc/88/78/51/529887851.db2.gz LONFHRIGOQVVMV-UHFFFAOYSA-N 2 2 266.393 -0.116 20 0 CBADLP C[C@H](CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1)Cn1cc[nH+]c1 ZINC000351537388 219119529 /nfs/dbraw/zinc/11/95/29/219119529.db2.gz IXRAWXBKHVLTNJ-VXGBXAGGSA-N 2 2 293.371 -0.496 20 0 CBADLP COc1cc[nH+]cc1NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351554673 219124661 /nfs/dbraw/zinc/12/46/61/219124661.db2.gz DGXFUTPLUNIFBQ-SECBINFHSA-N 2 2 278.312 -0.103 20 0 CBADLP COC(=O)C[C@@H]1C(=O)NCC[N@H+]1CCCn1cc[nH+]c1C ZINC000127281268 187293882 /nfs/dbraw/zinc/29/38/82/187293882.db2.gz KYVDEXHCJPAPFT-GFCCVEGCSA-N 2 2 294.355 -0.055 20 0 CBADLP COC(=O)C[C@@H]1C(=O)NCC[N@@H+]1CCCn1cc[nH+]c1C ZINC000127281268 187293884 /nfs/dbraw/zinc/29/38/84/187293884.db2.gz KYVDEXHCJPAPFT-GFCCVEGCSA-N 2 2 294.355 -0.055 20 0 CBADLP C[N@H+](C[C@H](O)C[NH+]1CC[C@H](NC(N)=O)C1)C1CC1 ZINC000351714163 219183726 /nfs/dbraw/zinc/18/37/26/219183726.db2.gz ZQFGSSQWXZWHFE-ONGXEEELSA-N 2 2 256.350 -0.816 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH+]1CC[C@H](NC(N)=O)C1)C1CC1 ZINC000351714163 219183728 /nfs/dbraw/zinc/18/37/28/219183728.db2.gz ZQFGSSQWXZWHFE-ONGXEEELSA-N 2 2 256.350 -0.816 20 0 CBADLP C[NH+](C[C@H](O)C[N@@H+]1CC[C@H](NC(N)=O)C1)C1CC1 ZINC000351714163 219183731 /nfs/dbraw/zinc/18/37/31/219183731.db2.gz ZQFGSSQWXZWHFE-ONGXEEELSA-N 2 2 256.350 -0.816 20 0 CBADLP C[NH+](C[C@H](O)C[N@H+]1CC[C@H](NC(N)=O)C1)C1CC1 ZINC000351714163 219183732 /nfs/dbraw/zinc/18/37/32/219183732.db2.gz ZQFGSSQWXZWHFE-ONGXEEELSA-N 2 2 256.350 -0.816 20 0 CBADLP CNC(=O)C[NH+]1CCC(NC(=O)[C@@H](C)[NH+]2CC(C)C2)CC1 ZINC000573814163 334968654 /nfs/dbraw/zinc/96/86/54/334968654.db2.gz OTBFQGNPFGFCJS-GFCCVEGCSA-N 2 2 296.415 -0.347 20 0 CBADLP O=C(C1C[NH2+]C1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000091410384 180148414 /nfs/dbraw/zinc/14/84/14/180148414.db2.gz HXMYFKUXWPMKNW-UHFFFAOYSA-N 2 2 260.341 -0.055 20 0 CBADLP CCC[N@H+](C[C@@H](O)C[NH+](C)C1CC1)[C@@H]1CC(=O)N(C)C1=O ZINC000352102010 219319708 /nfs/dbraw/zinc/31/97/08/219319708.db2.gz LSHDSWVMVMZRSX-QWHCGFSZSA-N 2 2 297.399 -0.089 20 0 CBADLP CCC[N@@H+](C[C@@H](O)C[NH+](C)C1CC1)[C@@H]1CC(=O)N(C)C1=O ZINC000352102010 219319712 /nfs/dbraw/zinc/31/97/12/219319712.db2.gz LSHDSWVMVMZRSX-QWHCGFSZSA-N 2 2 297.399 -0.089 20 0 CBADLP CCC[NH+](C[C@@H](O)C[N@H+](C)C1CC1)[C@@H]1CC(=O)N(C)C1=O ZINC000352102010 219319714 /nfs/dbraw/zinc/31/97/14/219319714.db2.gz LSHDSWVMVMZRSX-QWHCGFSZSA-N 2 2 297.399 -0.089 20 0 CBADLP CCC[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)[C@@H]1CC(=O)N(C)C1=O ZINC000352102010 219319718 /nfs/dbraw/zinc/31/97/18/219319718.db2.gz LSHDSWVMVMZRSX-QWHCGFSZSA-N 2 2 297.399 -0.089 20 0 CBADLP C[C@@H]1C[C@H](C(=O)N2CC[NH+](CCO)CC2)CC[N@@H+]1C ZINC000352153335 219340586 /nfs/dbraw/zinc/34/05/86/219340586.db2.gz GNMWZLKLRJRXNN-CHWSQXEVSA-N 2 2 269.389 -0.147 20 0 CBADLP C[C@@H]1C[C@H](C(=O)N2CC[NH+](CCO)CC2)CC[N@H+]1C ZINC000352153335 219340589 /nfs/dbraw/zinc/34/05/89/219340589.db2.gz GNMWZLKLRJRXNN-CHWSQXEVSA-N 2 2 269.389 -0.147 20 0 CBADLP CNC(=O)NC(=O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109794053 186272731 /nfs/dbraw/zinc/27/27/31/186272731.db2.gz UAJNDZBSSOLBTH-UHFFFAOYSA-N 2 2 265.317 -0.024 20 0 CBADLP CC[C@@]1(C(=O)NCC[NH+]2CCN(C(C)=O)CC2)CCC[NH2+]1 ZINC000134569816 282718399 /nfs/dbraw/zinc/71/83/99/282718399.db2.gz UQYNYRWUDPXFDM-HNNXBMFYSA-N 2 2 296.415 -0.201 20 0 CBADLP C[N@H+](CC(=O)NC(=O)NC1CC1)C1CC[NH2+]CC1 ZINC000036300634 351390193 /nfs/dbraw/zinc/39/01/93/351390193.db2.gz NHWZFHSZQSCNFG-UHFFFAOYSA-N 2 2 254.334 -0.342 20 0 CBADLP C[N@@H+](CC(=O)NC(=O)NC1CC1)C1CC[NH2+]CC1 ZINC000036300634 351390198 /nfs/dbraw/zinc/39/01/98/351390198.db2.gz NHWZFHSZQSCNFG-UHFFFAOYSA-N 2 2 254.334 -0.342 20 0 CBADLP CC(=O)N1CCN(C(=O)C[N@@H+](C)C2CC[NH2+]CC2)CC1 ZINC000036300671 351390431 /nfs/dbraw/zinc/39/04/31/351390431.db2.gz VULLHURTXYHLLJ-UHFFFAOYSA-N 2 2 282.388 -0.639 20 0 CBADLP CC(=O)N1CCN(C(=O)C[N@H+](C)C2CC[NH2+]CC2)CC1 ZINC000036300671 351390436 /nfs/dbraw/zinc/39/04/36/351390436.db2.gz VULLHURTXYHLLJ-UHFFFAOYSA-N 2 2 282.388 -0.639 20 0 CBADLP CC1(C)NC(=O)N(CC[N@@H+]2CCC[NH2+]CC2)C1=O ZINC000036946314 351393873 /nfs/dbraw/zinc/39/38/73/351393873.db2.gz AGGYICXPSNRWNU-UHFFFAOYSA-N 2 2 254.334 -0.388 20 0 CBADLP CC1(C)NC(=O)N(CC[N@H+]2CCC[NH2+]CC2)C1=O ZINC000036946314 351393880 /nfs/dbraw/zinc/39/38/80/351393880.db2.gz AGGYICXPSNRWNU-UHFFFAOYSA-N 2 2 254.334 -0.388 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CSC[NH2+]1 ZINC000037008745 351397161 /nfs/dbraw/zinc/39/71/61/351397161.db2.gz DZWWFSUKANEUTH-ZJUUUORDSA-N 2 2 259.375 -0.514 20 0 CBADLP COc1ccnc(N2CC[NH+](CCC[NH3+])CC2)n1 ZINC000037674028 351402411 /nfs/dbraw/zinc/40/24/11/351402411.db2.gz LFWSRWUSEKPCSC-UHFFFAOYSA-N 2 2 251.334 -0.044 20 0 CBADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)CCC[NH3+])CC1 ZINC000019688063 351350748 /nfs/dbraw/zinc/35/07/48/351350748.db2.gz ZZHWNOMLECYBAZ-UHFFFAOYSA-N 2 2 284.404 -0.262 20 0 CBADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000042248634 351429271 /nfs/dbraw/zinc/42/92/71/351429271.db2.gz YKIOXQSPXAAYJQ-NSHDSACASA-N 2 2 282.388 -0.641 20 0 CBADLP CN(C)C(=O)C[N@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000042502490 351432934 /nfs/dbraw/zinc/43/29/34/351432934.db2.gz NERHWTVSGVFBDW-UHFFFAOYSA-N 2 2 296.415 -0.251 20 0 CBADLP CN(C)C(=O)C[N@@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000042502490 351432943 /nfs/dbraw/zinc/43/29/43/351432943.db2.gz NERHWTVSGVFBDW-UHFFFAOYSA-N 2 2 296.415 -0.251 20 0 CBADLP CC[NH+](CC)C[C@@H](C)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000045704360 351451797 /nfs/dbraw/zinc/45/17/97/351451797.db2.gz GSXUJHHSICDATN-ZIAGYGMSSA-N 2 2 273.421 -0.001 20 0 CBADLP CC[NH+](CC)C[C@@H](C)NC[C@H](O)C[NH+]1CCOCC1 ZINC000045704351 351451893 /nfs/dbraw/zinc/45/18/93/351451893.db2.gz GSXUJHHSICDATN-KGLIPLIRSA-N 2 2 273.421 -0.001 20 0 CBADLP CN(C)C(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000037819262 351408046 /nfs/dbraw/zinc/40/80/46/351408046.db2.gz ORWCOPYGQJBPHO-LBPRGKRZSA-N 2 2 282.388 -0.639 20 0 CBADLP CN(C)C(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000037819262 351408047 /nfs/dbraw/zinc/40/80/47/351408047.db2.gz ORWCOPYGQJBPHO-LBPRGKRZSA-N 2 2 282.388 -0.639 20 0 CBADLP COCC[N@@H+]1CCCN(C(=O)[C@H]2CSC[NH2+]2)CC1 ZINC000037826838 351409346 /nfs/dbraw/zinc/40/93/46/351409346.db2.gz AFJFIKAFAKGYQO-LLVKDONJSA-N 2 2 273.402 -0.170 20 0 CBADLP COCC[N@H+]1CCCN(C(=O)[C@H]2CSC[NH2+]2)CC1 ZINC000037826838 351409347 /nfs/dbraw/zinc/40/93/47/351409347.db2.gz AFJFIKAFAKGYQO-LLVKDONJSA-N 2 2 273.402 -0.170 20 0 CBADLP CNC(=O)NC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917746 351411636 /nfs/dbraw/zinc/41/16/36/351411636.db2.gz KWSRLDRASLZLEK-QWRGUYRKSA-N 2 2 268.361 -0.094 20 0 CBADLP CNC(=O)NC(=O)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917746 351411639 /nfs/dbraw/zinc/41/16/39/351411639.db2.gz KWSRLDRASLZLEK-QWRGUYRKSA-N 2 2 268.361 -0.094 20 0 CBADLP CC(C)(CNC(=O)[C@H]1CSC[NH2+]1)[NH+]1CCOCC1 ZINC000040805160 351419016 /nfs/dbraw/zinc/41/90/16/351419016.db2.gz ZXWMFKZNZUBSEU-SNVBAGLBSA-N 2 2 273.402 -0.124 20 0 CBADLP Cn1ccc(C[NH+]2CCN(C(=O)C[NH+](C)C)CC2)cc1=O ZINC000051763450 351512477 /nfs/dbraw/zinc/51/24/77/351512477.db2.gz HJFMSUFVBSIODH-UHFFFAOYSA-N 2 2 292.383 -0.409 20 0 CBADLP CC[N@H+](CC(=O)NC1CC[NH+](CC)CC1)CC(=O)N(C)C ZINC000051790803 351512773 /nfs/dbraw/zinc/51/27/73/351512773.db2.gz LNGMFIOBNQOFKE-UHFFFAOYSA-N 2 2 298.431 -0.003 20 0 CBADLP CC[N@@H+](CC(=O)NC1CC[NH+](CC)CC1)CC(=O)N(C)C ZINC000051790803 351512775 /nfs/dbraw/zinc/51/27/75/351512775.db2.gz LNGMFIOBNQOFKE-UHFFFAOYSA-N 2 2 298.431 -0.003 20 0 CBADLP CC(C)N1CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000053298670 351526918 /nfs/dbraw/zinc/52/69/18/351526918.db2.gz KHHSFUWXGNYKAM-UHFFFAOYSA-N 2 2 268.405 -0.166 20 0 CBADLP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2nnnn2C2CC2)C1 ZINC000063180437 351582133 /nfs/dbraw/zinc/58/21/33/351582133.db2.gz ZIZYIOSIFUFVPA-SNVBAGLBSA-N 2 2 293.375 -0.705 20 0 CBADLP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2nnnn2C2CC2)C1 ZINC000063180437 351582135 /nfs/dbraw/zinc/58/21/35/351582135.db2.gz ZIZYIOSIFUFVPA-SNVBAGLBSA-N 2 2 293.375 -0.705 20 0 CBADLP CC(C)[N@H+](CC(N)=O)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000064508589 351585860 /nfs/dbraw/zinc/58/58/60/351585860.db2.gz MDLKUFQJUCMOBN-UHFFFAOYSA-N 2 2 296.415 -0.075 20 0 CBADLP CC(C)[N@@H+](CC(N)=O)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000064508589 351585862 /nfs/dbraw/zinc/58/58/62/351585862.db2.gz MDLKUFQJUCMOBN-UHFFFAOYSA-N 2 2 296.415 -0.075 20 0 CBADLP CN(C)C(=O)CC[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000067457690 351608276 /nfs/dbraw/zinc/60/82/76/351608276.db2.gz UEHPFYLQYLANEF-UHFFFAOYSA-N 2 2 270.377 -0.830 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)CC[NH+]2CCOCC2)C1 ZINC000073619890 351655102 /nfs/dbraw/zinc/65/51/02/351655102.db2.gz UYEQPACMMWLWEO-UONOGXRCSA-N 2 2 299.415 -0.066 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)CC[NH+]2CCOCC2)C1 ZINC000073619890 351655106 /nfs/dbraw/zinc/65/51/06/351655106.db2.gz UYEQPACMMWLWEO-UONOGXRCSA-N 2 2 299.415 -0.066 20 0 CBADLP CNC(=O)[C@H]1CCC[NH+]1CCC[N@H+]1CCC[C@@H]1C(=O)NC ZINC000077269417 351681162 /nfs/dbraw/zinc/68/11/62/351681162.db2.gz LWQZWBULDXPDLD-CHWSQXEVSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)[C@H]1CCC[NH+]1CCC[N@@H+]1CCC[C@@H]1C(=O)NC ZINC000077269417 351681167 /nfs/dbraw/zinc/68/11/67/351681167.db2.gz LWQZWBULDXPDLD-CHWSQXEVSA-N 2 2 296.415 -0.203 20 0 CBADLP CN(CCCN1CC[NH+](C)CC1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000081042964 351703087 /nfs/dbraw/zinc/70/30/87/351703087.db2.gz JTIFWYVPURLYTC-AWEZNQCLSA-N 2 2 298.431 -0.587 20 0 CBADLP CN(CCCN1CC[NH+](C)CC1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000081042964 351703091 /nfs/dbraw/zinc/70/30/91/351703091.db2.gz JTIFWYVPURLYTC-AWEZNQCLSA-N 2 2 298.431 -0.587 20 0 CBADLP CN(CCC[NH+]1CCN(C)CC1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000081042964 351703093 /nfs/dbraw/zinc/70/30/93/351703093.db2.gz JTIFWYVPURLYTC-AWEZNQCLSA-N 2 2 298.431 -0.587 20 0 CBADLP CN(CCC[NH+]1CCN(C)CC1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000081042964 351703095 /nfs/dbraw/zinc/70/30/95/351703095.db2.gz JTIFWYVPURLYTC-AWEZNQCLSA-N 2 2 298.431 -0.587 20 0 CBADLP COCC[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000081292287 351704170 /nfs/dbraw/zinc/70/41/70/351704170.db2.gz DXBKRBGHRZAREI-CYBMUJFWSA-N 2 2 285.388 -0.502 20 0 CBADLP COCC[N@H+]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000081292287 351704172 /nfs/dbraw/zinc/70/41/72/351704172.db2.gz DXBKRBGHRZAREI-CYBMUJFWSA-N 2 2 285.388 -0.502 20 0 CBADLP COCC[NH+]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000081292287 351704174 /nfs/dbraw/zinc/70/41/74/351704174.db2.gz DXBKRBGHRZAREI-CYBMUJFWSA-N 2 2 285.388 -0.502 20 0 CBADLP COCC[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000081292287 351704176 /nfs/dbraw/zinc/70/41/76/351704176.db2.gz DXBKRBGHRZAREI-CYBMUJFWSA-N 2 2 285.388 -0.502 20 0 CBADLP Cn1cc[nH+]c1N1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000085539046 351719309 /nfs/dbraw/zinc/71/93/09/351719309.db2.gz MCUYYJFFJGNAQX-GFCCVEGCSA-N 2 2 293.371 -0.601 20 0 CBADLP Cn1cc[nH+]c1N1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000085539046 351719311 /nfs/dbraw/zinc/71/93/11/351719311.db2.gz MCUYYJFFJGNAQX-GFCCVEGCSA-N 2 2 293.371 -0.601 20 0 CBADLP CCCn1ncnc1C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000088602567 351727070 /nfs/dbraw/zinc/72/70/70/351727070.db2.gz XKWAOHODCJYILX-LBPRGKRZSA-N 2 2 294.403 -0.025 20 0 CBADLP CCCn1ncnc1C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000088602567 351727071 /nfs/dbraw/zinc/72/70/71/351727071.db2.gz XKWAOHODCJYILX-LBPRGKRZSA-N 2 2 294.403 -0.025 20 0 CBADLP CCOC[C@H](O)C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000089926748 351735220 /nfs/dbraw/zinc/73/52/20/351735220.db2.gz JENWIRVJPPBUKD-GFCCVEGCSA-N 2 2 268.361 -0.061 20 0 CBADLP COCCN1CC[N@H+](CCn2cc[nH+]c2C)CC1=O ZINC000091835210 351747523 /nfs/dbraw/zinc/74/75/23/351747523.db2.gz JLLREXCWEUOLOE-UHFFFAOYSA-N 2 2 266.345 -0.018 20 0 CBADLP COCCN1CC[N@@H+](CCn2cc[nH+]c2C)CC1=O ZINC000091835210 351747527 /nfs/dbraw/zinc/74/75/27/351747527.db2.gz JLLREXCWEUOLOE-UHFFFAOYSA-N 2 2 266.345 -0.018 20 0 CBADLP C[C@H](CS(C)(=O)=O)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000081907706 351711698 /nfs/dbraw/zinc/71/16/98/351711698.db2.gz JREBDXGKCIPQQZ-MNOVXSKESA-N 2 2 264.391 -0.534 20 0 CBADLP C[NH+]1CCC(CNC(=O)NCC[NH+]2CCOCC2)CC1 ZINC000101761933 351783034 /nfs/dbraw/zinc/78/30/34/351783034.db2.gz WQCWDJUMKKUOCN-UHFFFAOYSA-N 2 2 284.404 -0.040 20 0 CBADLP CC(C)(CNC(=O)C[N@@H+]1CCC[C@@H]1CO)[NH+]1CCOCC1 ZINC000101727111 351783514 /nfs/dbraw/zinc/78/35/14/351783514.db2.gz RVPGVUAPDNIDDR-CYBMUJFWSA-N 2 2 299.415 -0.330 20 0 CBADLP CC(C)(CNC(=O)C[N@H+]1CCC[C@@H]1CO)[NH+]1CCOCC1 ZINC000101727111 351783518 /nfs/dbraw/zinc/78/35/18/351783518.db2.gz RVPGVUAPDNIDDR-CYBMUJFWSA-N 2 2 299.415 -0.330 20 0 CBADLP COCC[NH2+]CC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000105852553 351792174 /nfs/dbraw/zinc/79/21/74/351792174.db2.gz KOUSXZALKKYYMU-UHFFFAOYSA-N 2 2 278.356 -0.034 20 0 CBADLP CCN(CC(=O)NC(C)C)C(=O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000107576994 351795227 /nfs/dbraw/zinc/79/52/27/351795227.db2.gz TZQVLOJZUDWWOR-STQMWFEESA-N 2 2 296.415 -0.489 20 0 CBADLP COC[C@](C)(CCO)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000093188815 351757509 /nfs/dbraw/zinc/75/75/09/351757509.db2.gz NHSJSYGJYDHXTR-ZDUSSCGKSA-N 2 2 273.377 -0.863 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H](CCC(N)=O)C2)CC1 ZINC000093171126 351757699 /nfs/dbraw/zinc/75/76/99/351757699.db2.gz ZDIKCQOAOZWOEF-CYBMUJFWSA-N 2 2 296.415 -0.262 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H](CCC(N)=O)C2)CC1 ZINC000093171126 351757703 /nfs/dbraw/zinc/75/77/03/351757703.db2.gz ZDIKCQOAOZWOEF-CYBMUJFWSA-N 2 2 296.415 -0.262 20 0 CBADLP COC(=O)[C@]1(C)CC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000093189828 351758061 /nfs/dbraw/zinc/75/80/61/351758061.db2.gz GRKMUIPHAASQIW-CQSZACIVSA-N 2 2 283.372 -0.355 20 0 CBADLP COC(=O)[C@]1(C)CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000093189828 351758066 /nfs/dbraw/zinc/75/80/66/351758066.db2.gz GRKMUIPHAASQIW-CQSZACIVSA-N 2 2 283.372 -0.355 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C(C)(C)O)CC1 ZINC000093203431 351758149 /nfs/dbraw/zinc/75/81/49/351758149.db2.gz ZQNSXJSJSVUZSC-LBPRGKRZSA-N 2 2 269.389 -0.004 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]2C(C)(C)O)CC1 ZINC000093203431 351758153 /nfs/dbraw/zinc/75/81/53/351758153.db2.gz ZQNSXJSJSVUZSC-LBPRGKRZSA-N 2 2 269.389 -0.004 20 0 CBADLP C[N@H+](CC(=O)NC(=O)NC1CC1)CC(C)(C)C[NH3+] ZINC000093874501 351762087 /nfs/dbraw/zinc/76/20/87/351762087.db2.gz XLWSUUIPVQTIIF-UHFFFAOYSA-N 2 2 256.350 -0.109 20 0 CBADLP C[N@@H+](CC(=O)NC(=O)NC1CC1)CC(C)(C)C[NH3+] ZINC000093874501 351762092 /nfs/dbraw/zinc/76/20/92/351762092.db2.gz XLWSUUIPVQTIIF-UHFFFAOYSA-N 2 2 256.350 -0.109 20 0 CBADLP C[NH+]1CCN(CC(=O)N2CC[NH+](C3CC3)CC2)CC1 ZINC000111584050 351803235 /nfs/dbraw/zinc/80/32/35/351803235.db2.gz PZGDZOUTNZNJKR-UHFFFAOYSA-N 2 2 266.389 -0.460 20 0 CBADLP C[N@H+](CCCn1cc[nH+]c1)C[C@@H](O)CN1CCOCC1 ZINC000119329192 351832860 /nfs/dbraw/zinc/83/28/60/351832860.db2.gz IICVKQRRSWFKRG-CQSZACIVSA-N 2 2 282.388 -0.102 20 0 CBADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@@H](O)CN1CCOCC1 ZINC000119329192 351832862 /nfs/dbraw/zinc/83/28/62/351832862.db2.gz IICVKQRRSWFKRG-CQSZACIVSA-N 2 2 282.388 -0.102 20 0 CBADLP CCS(=O)(=O)NCC[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113515696 351814506 /nfs/dbraw/zinc/81/45/06/351814506.db2.gz VBDRBWTVYMVGSC-LLVKDONJSA-N 2 2 263.407 -0.191 20 0 CBADLP CCS(=O)(=O)NCC[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113515696 351814511 /nfs/dbraw/zinc/81/45/11/351814511.db2.gz VBDRBWTVYMVGSC-LLVKDONJSA-N 2 2 263.407 -0.191 20 0 CBADLP CCS(=O)(=O)NCC[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000113515698 351814688 /nfs/dbraw/zinc/81/46/88/351814688.db2.gz VBDRBWTVYMVGSC-NSHDSACASA-N 2 2 263.407 -0.191 20 0 CBADLP CCS(=O)(=O)NCC[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000113515698 351814691 /nfs/dbraw/zinc/81/46/91/351814691.db2.gz VBDRBWTVYMVGSC-NSHDSACASA-N 2 2 263.407 -0.191 20 0 CBADLP CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113515061 351814843 /nfs/dbraw/zinc/81/48/43/351814843.db2.gz ZZZQDLQORVNCGL-SNVBAGLBSA-N 2 2 256.350 -0.284 20 0 CBADLP CCNC(=O)NC(=O)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113515061 351814848 /nfs/dbraw/zinc/81/48/48/351814848.db2.gz ZZZQDLQORVNCGL-SNVBAGLBSA-N 2 2 256.350 -0.284 20 0 CBADLP COC(=O)CCNC(=O)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000113514094 351814997 /nfs/dbraw/zinc/81/49/97/351814997.db2.gz VBJHILGEROXLOA-NSHDSACASA-N 2 2 271.361 -0.451 20 0 CBADLP COC(=O)CCNC(=O)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000113514094 351814999 /nfs/dbraw/zinc/81/49/99/351814999.db2.gz VBJHILGEROXLOA-NSHDSACASA-N 2 2 271.361 -0.451 20 0 CBADLP COC(=O)CCNC(=O)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113514097 351815025 /nfs/dbraw/zinc/81/50/25/351815025.db2.gz VBJHILGEROXLOA-LLVKDONJSA-N 2 2 271.361 -0.451 20 0 CBADLP COC(=O)CCNC(=O)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113514097 351815027 /nfs/dbraw/zinc/81/50/27/351815027.db2.gz VBJHILGEROXLOA-LLVKDONJSA-N 2 2 271.361 -0.451 20 0 CBADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCNC(=O)CC2)CC1 ZINC000114455777 351816954 /nfs/dbraw/zinc/81/69/54/351816954.db2.gz XOPODDHEPFCWTP-UHFFFAOYSA-N 2 2 296.415 -0.203 20 0 CBADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCNC(=O)CC2)CC1 ZINC000114455777 351816957 /nfs/dbraw/zinc/81/69/57/351816957.db2.gz XOPODDHEPFCWTP-UHFFFAOYSA-N 2 2 296.415 -0.203 20 0 CBADLP CN1CCN(C(=O)CCn2cc[nH+]c2)[C@@H](C[NH3+])C1 ZINC000122614575 351853006 /nfs/dbraw/zinc/85/30/06/351853006.db2.gz SXRDWJDSFHFNLT-NSHDSACASA-N 2 2 251.334 -0.626 20 0 CBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CCNC(N)=O ZINC000122968591 351853627 /nfs/dbraw/zinc/85/36/27/351853627.db2.gz JFGPUIILQFPXHP-UHFFFAOYSA-N 2 2 299.419 -0.471 20 0 CBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CCNC(N)=O ZINC000122968591 351853630 /nfs/dbraw/zinc/85/36/30/351853630.db2.gz JFGPUIILQFPXHP-UHFFFAOYSA-N 2 2 299.419 -0.471 20 0 CBADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC000124557868 351855861 /nfs/dbraw/zinc/85/58/61/351855861.db2.gz ZYBLKYJNNMWTHQ-NXEZZACHSA-N 2 2 266.345 -0.604 20 0 CBADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC000124557868 351855863 /nfs/dbraw/zinc/85/58/63/351855863.db2.gz ZYBLKYJNNMWTHQ-NXEZZACHSA-N 2 2 266.345 -0.604 20 0 CBADLP CC(=O)N[C@H]1CCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000120718077 351842065 /nfs/dbraw/zinc/84/20/65/351842065.db2.gz JMIHVZRWKBWBMQ-ZDUSSCGKSA-N 2 2 282.388 -0.639 20 0 CBADLP CC(=O)N[C@H]1CCC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000120718077 351842069 /nfs/dbraw/zinc/84/20/69/351842069.db2.gz JMIHVZRWKBWBMQ-ZDUSSCGKSA-N 2 2 282.388 -0.639 20 0 CBADLP CC(=O)NC[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000120861027 351844183 /nfs/dbraw/zinc/84/41/83/351844183.db2.gz LDLRZIGFROTEMP-AWEZNQCLSA-N 2 2 296.415 -0.392 20 0 CBADLP CC(=O)NC[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000120861027 351844187 /nfs/dbraw/zinc/84/41/87/351844187.db2.gz LDLRZIGFROTEMP-AWEZNQCLSA-N 2 2 296.415 -0.392 20 0 CBADLP CC(C)(CNC(=O)C[C@H]1COCC[NH2+]1)[NH+]1CCOCC1 ZINC000130421905 351879287 /nfs/dbraw/zinc/87/92/87/351879287.db2.gz WIGLBOCTTUUYSD-LBPRGKRZSA-N 2 2 285.388 -0.408 20 0 CBADLP CSCC[C@@H]([NH3+])C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000130855876 351882121 /nfs/dbraw/zinc/88/21/21/351882121.db2.gz SYTXTZOASYYDTD-GHMZBOCLSA-N 2 2 275.418 -0.096 20 0 CBADLP O=C([C@H](C1CC1)[NH+]1CCCC1)N1CC[NH+](CCO)CC1 ZINC000123269135 187081575 /nfs/dbraw/zinc/08/15/75/187081575.db2.gz XIFAMQOPXXZZRS-AWEZNQCLSA-N 2 2 281.400 -0.003 20 0 CBADLP [NH3+]Cc1cc(C(=O)NCC[NH+]2CCOCC2)ccn1 ZINC000129937524 351875911 /nfs/dbraw/zinc/87/59/11/351875911.db2.gz CSEWONDDOCPFER-UHFFFAOYSA-N 2 2 264.329 -0.398 20 0 CBADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)N1CCNC(=O)C1 ZINC000124301011 187131567 /nfs/dbraw/zinc/13/15/67/187131567.db2.gz MIFYNFOAISLFTQ-UHFFFAOYSA-N 2 2 279.344 -0.837 20 0 CBADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)N1CCNC(=O)C1 ZINC000124301011 187131568 /nfs/dbraw/zinc/13/15/68/187131568.db2.gz MIFYNFOAISLFTQ-UHFFFAOYSA-N 2 2 279.344 -0.837 20 0 CBADLP NC(=O)NC(=O)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150768813 351932062 /nfs/dbraw/zinc/93/20/62/351932062.db2.gz MMHUNSBPPUDQBT-SNVBAGLBSA-N 2 2 254.334 -0.401 20 0 CBADLP NC(=O)NC(=O)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150768813 351932064 /nfs/dbraw/zinc/93/20/64/351932064.db2.gz MMHUNSBPPUDQBT-SNVBAGLBSA-N 2 2 254.334 -0.401 20 0 CBADLP C[C@@H](O)C[N@H+](C)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000131295865 351885395 /nfs/dbraw/zinc/88/53/95/351885395.db2.gz KJLGQTYPKXBPCH-GFCCVEGCSA-N 2 2 287.404 -0.474 20 0 CBADLP C[C@@H](O)C[N@@H+](C)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000131295865 351885396 /nfs/dbraw/zinc/88/53/96/351885396.db2.gz KJLGQTYPKXBPCH-GFCCVEGCSA-N 2 2 287.404 -0.474 20 0 CBADLP CC1CC[NH+](CC(=O)NC[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC000132663642 351895062 /nfs/dbraw/zinc/89/50/62/351895062.db2.gz XDFAPCXAPLLZPN-CQSZACIVSA-N 2 2 299.415 -0.472 20 0 CBADLP CC[N@H+](CC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1)C1CC1 ZINC000133031621 351897541 /nfs/dbraw/zinc/89/75/41/351897541.db2.gz ZBUKSUXBEOODCN-OAHLLOKOSA-N 2 2 299.415 -0.330 20 0 CBADLP CC[N@@H+](CC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1)C1CC1 ZINC000133031621 351897543 /nfs/dbraw/zinc/89/75/43/351897543.db2.gz ZBUKSUXBEOODCN-OAHLLOKOSA-N 2 2 299.415 -0.330 20 0 CBADLP C[NH+](C)CCNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000133336579 351898773 /nfs/dbraw/zinc/89/87/73/351898773.db2.gz VPGABQASKKVRPB-UHFFFAOYSA-N 2 2 272.393 -0.042 20 0 CBADLP C[C@@H](NC(=O)NCC[NH+](C)C)[C@H](C)[NH+]1CCOCC1 ZINC000133626339 351900815 /nfs/dbraw/zinc/90/08/15/351900815.db2.gz ZDLBRJXBKGLQCQ-NEPJUHHUSA-N 2 2 272.393 -0.044 20 0 CBADLP CN1CCN(C(=O)Cc2cn3ccccc3[nH+]2)[C@H](C[NH3+])C1 ZINC000162268576 351977033 /nfs/dbraw/zinc/97/70/33/351977033.db2.gz MFCMMXGVYXXWBA-CYBMUJFWSA-N 2 2 287.367 -0.022 20 0 CBADLP CC[NH+](CC)CCCNC(=O)CN1CC[NH2+]CC1=O ZINC000163434781 351981601 /nfs/dbraw/zinc/98/16/01/351981601.db2.gz JDGXONNUEKPCRN-UHFFFAOYSA-N 2 2 270.377 -0.734 20 0 CBADLP C[C@H](CNC(=O)[C@]1(F)CC[NH2+]C1)[NH+]1CCOCC1 ZINC000164915929 351984721 /nfs/dbraw/zinc/98/47/21/351984721.db2.gz DICFQOZWAPLTPI-PWSUYJOCSA-N 2 2 259.325 -0.475 20 0 CBADLP C[C@@H](CNC(=O)[C@]1(F)CC[NH2+]C1)[NH+]1CCOCC1 ZINC000164915800 351984891 /nfs/dbraw/zinc/98/48/91/351984891.db2.gz DICFQOZWAPLTPI-JQWIXIFHSA-N 2 2 259.325 -0.475 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@]1(F)CC[NH2+]C1 ZINC000165046240 351985868 /nfs/dbraw/zinc/98/58/68/351985868.db2.gz BZENVMXHGLHJBZ-PWSUYJOCSA-N 2 2 259.325 -0.475 20 0 CBADLP COCC[NH2+]CC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000167694644 351989722 /nfs/dbraw/zinc/98/97/22/351989722.db2.gz OIBLDZYCQTUHRS-RYUDHWBXSA-N 2 2 273.377 -0.552 20 0 CBADLP C[NH+](C)CC(=O)NC[C@H](NC(=O)C[NH+](C)C)C1CC1 ZINC000170760996 352000301 /nfs/dbraw/zinc/00/03/01/352000301.db2.gz MRKOSIDQPWDFRT-NSHDSACASA-N 2 2 270.377 -0.879 20 0 CBADLP O[C@@H](CN1CC[C@H]([NH+]2CCCC2)C1)C[NH+]1CCOCC1 ZINC000170749251 352000673 /nfs/dbraw/zinc/00/06/73/352000673.db2.gz DOJGOMDLKZJVBU-LSDHHAIUSA-N 2 2 283.416 -0.150 20 0 CBADLP C[NH+](C)CC(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000174195420 352045976 /nfs/dbraw/zinc/04/59/76/352045976.db2.gz LKPKJZWMQFNLFL-LBPRGKRZSA-N 2 2 255.362 -0.271 20 0 CBADLP C[C@@H]1C[N@@H+](CCCNC(=O)[C@@H]2C[NH+](C)CCO2)C[C@H](C)O1 ZINC000174500599 352046706 /nfs/dbraw/zinc/04/67/06/352046706.db2.gz QMOMMERSYPOHRB-MJBXVCDLSA-N 2 2 299.415 -0.068 20 0 CBADLP C[C@@H]1C[N@H+](CCCNC(=O)[C@@H]2C[NH+](C)CCO2)C[C@H](C)O1 ZINC000174500599 352046707 /nfs/dbraw/zinc/04/67/07/352046707.db2.gz QMOMMERSYPOHRB-MJBXVCDLSA-N 2 2 299.415 -0.068 20 0 CBADLP C[C@@H]1C[NH+](CCCNC(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H](C)O1 ZINC000174500599 352046708 /nfs/dbraw/zinc/04/67/08/352046708.db2.gz QMOMMERSYPOHRB-MJBXVCDLSA-N 2 2 299.415 -0.068 20 0 CBADLP C[C@@H]1C[NH+](CCCNC(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H](C)O1 ZINC000174500599 352046709 /nfs/dbraw/zinc/04/67/09/352046709.db2.gz QMOMMERSYPOHRB-MJBXVCDLSA-N 2 2 299.415 -0.068 20 0 CBADLP C[C@@H](CNC(=O)C[NH+](C)C)CN1CC[NH+](C)CC1 ZINC000176012431 352062463 /nfs/dbraw/zinc/06/24/63/352062463.db2.gz IJQVDPFWKMYOSV-LBPRGKRZSA-N 2 2 256.394 -0.452 20 0 CBADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N(C)CC[NH+](C)C ZINC000176339571 352064579 /nfs/dbraw/zinc/06/45/79/352064579.db2.gz IDTITKYECVKCAD-ZDUSSCGKSA-N 2 2 285.436 -0.175 20 0 CBADLP O=C(CCCC[NH+]1CCOCC1)N1CC[NH+](CCO)CC1 ZINC000176385219 352065253 /nfs/dbraw/zinc/06/52/53/352065253.db2.gz IVAGSTBPSVGDOH-UHFFFAOYSA-N 2 2 299.415 -0.375 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000172750702 352029776 /nfs/dbraw/zinc/02/97/76/352029776.db2.gz ZLSBIGIZOUNRMA-GFCCVEGCSA-N 2 2 271.361 -0.892 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000172750702 352029778 /nfs/dbraw/zinc/02/97/78/352029778.db2.gz ZLSBIGIZOUNRMA-GFCCVEGCSA-N 2 2 271.361 -0.892 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N1CC[NH+](CCO)[C@@H](C)C1 ZINC000187277755 352137639 /nfs/dbraw/zinc/13/76/39/352137639.db2.gz HRBHELZYVVNTNC-LBPRGKRZSA-N 2 2 257.378 -0.148 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N1CC[NH+](CCO)[C@@H](C)C1 ZINC000187277755 352137641 /nfs/dbraw/zinc/13/76/41/352137641.db2.gz HRBHELZYVVNTNC-LBPRGKRZSA-N 2 2 257.378 -0.148 20 0 CBADLP CC(C)[NH+](C)CC(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000187277755 352137644 /nfs/dbraw/zinc/13/76/44/352137644.db2.gz HRBHELZYVVNTNC-LBPRGKRZSA-N 2 2 257.378 -0.148 20 0 CBADLP CC(C)[NH+](C)CC(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000187277755 352137646 /nfs/dbraw/zinc/13/76/46/352137646.db2.gz HRBHELZYVVNTNC-LBPRGKRZSA-N 2 2 257.378 -0.148 20 0 CBADLP COC[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000178735385 352083005 /nfs/dbraw/zinc/08/30/05/352083005.db2.gz ONVDJOHICKRGKM-STQMWFEESA-N 2 2 285.388 -0.768 20 0 CBADLP COC[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000178735385 352083011 /nfs/dbraw/zinc/08/30/11/352083011.db2.gz ONVDJOHICKRGKM-STQMWFEESA-N 2 2 285.388 -0.768 20 0 CBADLP CC1(C)C[N@H+](CCNC(=O)[C@@]2(F)CC[NH2+]C2)CCO1 ZINC000178745146 352083133 /nfs/dbraw/zinc/08/31/33/352083133.db2.gz HIYNMPWRYKQZMD-CYBMUJFWSA-N 2 2 273.352 -0.085 20 0 CBADLP CC1(C)C[N@@H+](CCNC(=O)[C@@]2(F)CC[NH2+]C2)CCO1 ZINC000178745146 352083136 /nfs/dbraw/zinc/08/31/36/352083136.db2.gz HIYNMPWRYKQZMD-CYBMUJFWSA-N 2 2 273.352 -0.085 20 0 CBADLP CC[C@H]([NH3+])C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000178861614 352084637 /nfs/dbraw/zinc/08/46/37/352084637.db2.gz NEOLJARFYVPMQY-SRVKXCTJSA-N 2 2 255.362 -0.097 20 0 CBADLP CC[C@H]([NH3+])C(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000178861596 352084796 /nfs/dbraw/zinc/08/47/96/352084796.db2.gz NEOLJARFYVPMQY-SDDRHHMPSA-N 2 2 255.362 -0.097 20 0 CBADLP CC[C@@H](CO)[NH+]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000179412761 352090102 /nfs/dbraw/zinc/09/01/02/352090102.db2.gz MZNRWAZBBIGMLK-QWHCGFSZSA-N 2 2 285.388 -0.768 20 0 CBADLP CC[C@@H](CO)[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000179412761 352090106 /nfs/dbraw/zinc/09/01/06/352090106.db2.gz MZNRWAZBBIGMLK-QWHCGFSZSA-N 2 2 285.388 -0.768 20 0 CBADLP C[C@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)CCCO1 ZINC000180467855 352094971 /nfs/dbraw/zinc/09/49/71/352094971.db2.gz CIJABZMDDKFAIN-LBPRGKRZSA-N 2 2 255.362 -0.129 20 0 CBADLP C[C@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)CCCO1 ZINC000180467855 352094974 /nfs/dbraw/zinc/09/49/74/352094974.db2.gz CIJABZMDDKFAIN-LBPRGKRZSA-N 2 2 255.362 -0.129 20 0 CBADLP COCCO[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000180787328 352096352 /nfs/dbraw/zinc/09/63/52/352096352.db2.gz FQEWAIHOMHENQN-CQSZACIVSA-N 2 2 299.415 -0.112 20 0 CBADLP COCCO[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000180787328 352096355 /nfs/dbraw/zinc/09/63/55/352096355.db2.gz FQEWAIHOMHENQN-CQSZACIVSA-N 2 2 299.415 -0.112 20 0 CBADLP CC[C@H](COC)[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181036418 352097172 /nfs/dbraw/zinc/09/71/72/352097172.db2.gz GWYMLWGICHCSRE-KGLIPLIRSA-N 2 2 299.415 -0.066 20 0 CBADLP COC[C@H](C)[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181026353 352097252 /nfs/dbraw/zinc/09/72/52/352097252.db2.gz QZQHGNKMRICMFX-STQMWFEESA-N 2 2 285.388 -0.456 20 0 CBADLP CCOC[C@H](C)[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181046052 352097884 /nfs/dbraw/zinc/09/78/84/352097884.db2.gz YIRWLPYFSDFRDQ-UONOGXRCSA-N 2 2 299.415 -0.066 20 0 CBADLP COC[C@@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000182352243 352102980 /nfs/dbraw/zinc/10/29/80/352102980.db2.gz SRYRGQJEQKOTDU-STQMWFEESA-N 2 2 258.362 -0.352 20 0 CBADLP COC[C@@H](O)C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000182352243 352102982 /nfs/dbraw/zinc/10/29/82/352102982.db2.gz SRYRGQJEQKOTDU-STQMWFEESA-N 2 2 258.362 -0.352 20 0 CBADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000188277137 352150327 /nfs/dbraw/zinc/15/03/27/352150327.db2.gz LOVWVHLOLLZJDK-ZIAGYGMSSA-N 2 2 298.431 -0.635 20 0 CBADLP C[C@H]1CN(C(=O)[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1CC(C)(C)O ZINC000188640679 352155175 /nfs/dbraw/zinc/15/51/75/352155175.db2.gz WUXBFAZEEDOQIR-STQMWFEESA-N 2 2 299.415 -0.379 20 0 CBADLP C[C@H]1CN(C(=O)[C@@H]2C[NH+](C)CCO2)CC[N@H+]1CC(C)(C)O ZINC000188640679 352155177 /nfs/dbraw/zinc/15/51/77/352155177.db2.gz WUXBFAZEEDOQIR-STQMWFEESA-N 2 2 299.415 -0.379 20 0 CBADLP C[C@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC[NH+]1CC(C)(C)O ZINC000188640679 352155179 /nfs/dbraw/zinc/15/51/79/352155179.db2.gz WUXBFAZEEDOQIR-STQMWFEESA-N 2 2 299.415 -0.379 20 0 CBADLP C[C@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1CC(C)(C)O ZINC000188640679 352155180 /nfs/dbraw/zinc/15/51/80/352155180.db2.gz WUXBFAZEEDOQIR-STQMWFEESA-N 2 2 299.415 -0.379 20 0 CBADLP CCOCC[NH+]1CCN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000188710369 352156813 /nfs/dbraw/zinc/15/68/13/352156813.db2.gz XCOKPJJSOVZZLK-NWDGAFQWSA-N 2 2 273.352 -0.133 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH+]2CCCOCC2)C1 ZINC000189379121 352168221 /nfs/dbraw/zinc/16/82/21/352168221.db2.gz ZSFCCRUVVYVPMW-GFCCVEGCSA-N 2 2 271.361 -0.845 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)NCC[NH+]2CCCOCC2)C1 ZINC000189379121 352168224 /nfs/dbraw/zinc/16/82/24/352168224.db2.gz ZSFCCRUVVYVPMW-GFCCVEGCSA-N 2 2 271.361 -0.845 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)NCC[N@@H+]2CCCOCC2)C1 ZINC000189379121 352168227 /nfs/dbraw/zinc/16/82/27/352168227.db2.gz ZSFCCRUVVYVPMW-GFCCVEGCSA-N 2 2 271.361 -0.845 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)NCC[N@H+]2CCCOCC2)C1 ZINC000189379121 352168228 /nfs/dbraw/zinc/16/82/28/352168228.db2.gz ZSFCCRUVVYVPMW-GFCCVEGCSA-N 2 2 271.361 -0.845 20 0 CBADLP CC[C@@H](C(=O)N1CC[N@H+](CCO)[C@H](C)C1)[NH+](C)C ZINC000187287728 352137763 /nfs/dbraw/zinc/13/77/63/352137763.db2.gz QSQBJKSVLSDDGS-NEPJUHHUSA-N 2 2 257.378 -0.148 20 0 CBADLP CC[C@@H](C(=O)N1CC[N@@H+](CCO)[C@H](C)C1)[NH+](C)C ZINC000187287728 352137768 /nfs/dbraw/zinc/13/77/68/352137768.db2.gz QSQBJKSVLSDDGS-NEPJUHHUSA-N 2 2 257.378 -0.148 20 0 CBADLP CCOCC[NH+]1CCN(C(=O)[C@H]2C[C@H](OC)C[NH2+]2)CC1 ZINC000187902616 352144198 /nfs/dbraw/zinc/14/41/98/352144198.db2.gz NTUXFBJWVQVADL-QWHCGFSZSA-N 2 2 285.388 -0.456 20 0 CBADLP C[C@H](NC(=O)[C@H]1C[NH2+]CCO1)[C@H](C)[NH+]1CCOCC1 ZINC000188181438 352148237 /nfs/dbraw/zinc/14/82/37/352148237.db2.gz VPBXLDHBHRSOKQ-SDDRHHMPSA-N 2 2 271.361 -0.800 20 0 CBADLP O=C(NCc1ccn2cc[nH+]c2c1)[C@H]1C[NH2+]CCO1 ZINC000188219260 352149664 /nfs/dbraw/zinc/14/96/64/352149664.db2.gz RWPNPRREODOFRL-LLVKDONJSA-N 2 2 260.297 -0.061 20 0 CBADLP CCOCCNC(=O)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193645821 352207203 /nfs/dbraw/zinc/20/72/03/352207203.db2.gz WZROIMAAZXTBEN-TXEJJXNPSA-N 2 2 255.362 -0.368 20 0 CBADLP CCOCCNC(=O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193645821 352207207 /nfs/dbraw/zinc/20/72/07/352207207.db2.gz WZROIMAAZXTBEN-TXEJJXNPSA-N 2 2 255.362 -0.368 20 0 CBADLP CCOCCNC(=O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193645821 352207211 /nfs/dbraw/zinc/20/72/11/352207211.db2.gz WZROIMAAZXTBEN-TXEJJXNPSA-N 2 2 255.362 -0.368 20 0 CBADLP CCOCCNC(=O)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193645821 352207213 /nfs/dbraw/zinc/20/72/13/352207213.db2.gz WZROIMAAZXTBEN-TXEJJXNPSA-N 2 2 255.362 -0.368 20 0 CBADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193620936 352207742 /nfs/dbraw/zinc/20/77/42/352207742.db2.gz SMTIQUUTOCAKLM-GARJFASQSA-N 2 2 268.361 -0.286 20 0 CBADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193620936 352207743 /nfs/dbraw/zinc/20/77/43/352207743.db2.gz SMTIQUUTOCAKLM-GARJFASQSA-N 2 2 268.361 -0.286 20 0 CBADLP CCNC(=O)NC(=O)[C@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193620936 352207744 /nfs/dbraw/zinc/20/77/44/352207744.db2.gz SMTIQUUTOCAKLM-GARJFASQSA-N 2 2 268.361 -0.286 20 0 CBADLP CCNC(=O)NC(=O)[C@H](C)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193620936 352207745 /nfs/dbraw/zinc/20/77/45/352207745.db2.gz SMTIQUUTOCAKLM-GARJFASQSA-N 2 2 268.361 -0.286 20 0 CBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1nnn(C)n1 ZINC000194439960 352215613 /nfs/dbraw/zinc/21/56/13/352215613.db2.gz VOBXXQIOHVKSJM-UHFFFAOYSA-N 2 2 281.408 -0.332 20 0 CBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1nnn(C)n1 ZINC000194439960 352215617 /nfs/dbraw/zinc/21/56/17/352215617.db2.gz VOBXXQIOHVKSJM-UHFFFAOYSA-N 2 2 281.408 -0.332 20 0 CBADLP CN(C)c1[nH+]cc(C[NH2+]C[C@]2(O)CCOC2)n1C ZINC000227116961 352255952 /nfs/dbraw/zinc/25/59/52/352255952.db2.gz MVBQSDQQVHPENG-GFCCVEGCSA-N 2 2 254.334 -0.273 20 0 CBADLP CN(C)c1[nH+]cc(CNC[C@](C)(O)C[NH+](C)C)n1C ZINC000227924629 352259413 /nfs/dbraw/zinc/25/94/13/352259413.db2.gz NAYMROVDSYUNSE-ZDUSSCGKSA-N 2 2 269.393 -0.112 20 0 CBADLP C[NH+](C)C[C@@](C)(O)CNC(=O)CCn1cc[nH+]c1 ZINC000228748793 352265540 /nfs/dbraw/zinc/26/55/40/352265540.db2.gz YVWMNDBXFJNFLQ-LBPRGKRZSA-N 2 2 254.334 -0.298 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@](C)(O)CC2)CC1 ZINC000230378956 352272745 /nfs/dbraw/zinc/27/27/45/352272745.db2.gz DEFXFJMWSBPPLH-AWEZNQCLSA-N 2 2 269.389 -0.003 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@](C)(O)CC2)CC1 ZINC000230378956 352272747 /nfs/dbraw/zinc/27/27/47/352272747.db2.gz DEFXFJMWSBPPLH-AWEZNQCLSA-N 2 2 269.389 -0.003 20 0 CBADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@@H]1CSC[NH2+]1 ZINC000225356262 352247554 /nfs/dbraw/zinc/24/75/54/352247554.db2.gz RTIMPCVGSSAPBY-UWVGGRQHSA-N 2 2 258.391 -0.989 20 0 CBADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@@H]1CSC[NH2+]1 ZINC000225356262 352247557 /nfs/dbraw/zinc/24/75/57/352247557.db2.gz RTIMPCVGSSAPBY-UWVGGRQHSA-N 2 2 258.391 -0.989 20 0 CBADLP COCC1(C(=O)N2CC[NH+](CCO)CC2)CC[NH2+]CC1 ZINC000234640296 352283341 /nfs/dbraw/zinc/28/33/41/352283341.db2.gz FJSRTDGHUZIGFW-UHFFFAOYSA-N 2 2 285.388 -0.861 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@@]2(C)CCCC[NH2+]2)CC1 ZINC000236577116 352291300 /nfs/dbraw/zinc/29/13/00/352291300.db2.gz OBZKIABQFAQRCF-OAHLLOKOSA-N 2 2 296.415 -0.201 20 0 CBADLP CC(C)[C@H](CNC(=O)[C@H]1COCC[NH2+]1)[NH+]1CCOCC1 ZINC000236668216 352292016 /nfs/dbraw/zinc/29/20/16/352292016.db2.gz WQNBKRQEQGMSTM-OLZOCXBDSA-N 2 2 285.388 -0.552 20 0 CBADLP C[NH2+]C[C@@H](C)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000237194527 352301672 /nfs/dbraw/zinc/30/16/72/352301672.db2.gz ZBOHUZDGASKRQE-GFCCVEGCSA-N 3 2 270.421 -0.016 20 0 CBADLP COCC[NH2+]CC(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000237193731 352301827 /nfs/dbraw/zinc/30/18/27/352301827.db2.gz PFTXOPMDRVBRCO-NSHDSACASA-N 2 2 254.334 -0.129 20 0 CBADLP C[NH2+]CCN(C)C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000237282611 352303331 /nfs/dbraw/zinc/30/33/31/352303331.db2.gz SQZVYKWAIDNYRJ-UHFFFAOYSA-N 2 2 291.399 -0.119 20 0 CBADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000237495549 352306434 /nfs/dbraw/zinc/30/64/34/352306434.db2.gz KGZYSXZQMRKWNK-NWDGAFQWSA-N 2 2 294.399 -0.593 20 0 CBADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C[NH3+] ZINC000237673723 352309419 /nfs/dbraw/zinc/30/94/19/352309419.db2.gz RYEPTLFRZWQKLD-GFCCVEGCSA-N 2 2 277.372 -0.333 20 0 CBADLP Cc1cn2c([nH+]1)CC[C@@H](NC(=O)[C@@H]1C[NH2+]CCO1)C2 ZINC000237883850 352311089 /nfs/dbraw/zinc/31/10/89/352311089.db2.gz AAPGCRZMMYLSKA-MNOVXSKESA-N 2 2 264.329 -0.389 20 0 CBADLP O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)[C@@H]1CC[NH2+]C1 ZINC000237973292 352311982 /nfs/dbraw/zinc/31/19/82/352311982.db2.gz XQKBMPBGZSVGGX-OCCSQVGLSA-N 2 2 299.440 -0.080 20 0 CBADLP [NH3+]C1(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000237926925 352311991 /nfs/dbraw/zinc/31/19/91/352311991.db2.gz IAOXZOQRCVQHMM-GFCCVEGCSA-N 2 2 285.413 -0.198 20 0 CBADLP CNC(=O)[C@@H]1C[N@H+](CC[C@H]2CCC[NH+]2C)CCO1 ZINC000248446655 352352793 /nfs/dbraw/zinc/35/27/93/352352793.db2.gz NCKSHBFKKDDFGP-NEPJUHHUSA-N 2 2 255.362 -0.083 20 0 CBADLP CNC(=O)[C@@H]1C[N@@H+](CC[C@H]2CCC[NH+]2C)CCO1 ZINC000248446655 352352797 /nfs/dbraw/zinc/35/27/97/352352797.db2.gz NCKSHBFKKDDFGP-NEPJUHHUSA-N 2 2 255.362 -0.083 20 0 CBADLP CNC(=O)[C@@H]1C[NH+](CC[C@H]2CCC[N@@H+]2C)CCO1 ZINC000248446655 352352799 /nfs/dbraw/zinc/35/27/99/352352799.db2.gz NCKSHBFKKDDFGP-NEPJUHHUSA-N 2 2 255.362 -0.083 20 0 CBADLP CNC(=O)[C@@H]1C[NH+](CC[C@H]2CCC[N@H+]2C)CCO1 ZINC000248446655 352352804 /nfs/dbraw/zinc/35/28/04/352352804.db2.gz NCKSHBFKKDDFGP-NEPJUHHUSA-N 2 2 255.362 -0.083 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[NH+](C3CC3)CCO2)C1 ZINC000245470146 352321866 /nfs/dbraw/zinc/32/18/66/352321866.db2.gz WADJWNJHTLPUNL-KBPBESRZSA-N 2 2 297.399 -0.314 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[NH+](C3CC3)CCO2)C1 ZINC000245470146 352321869 /nfs/dbraw/zinc/32/18/69/352321869.db2.gz WADJWNJHTLPUNL-KBPBESRZSA-N 2 2 297.399 -0.314 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)C1 ZINC000245470146 352321873 /nfs/dbraw/zinc/32/18/73/352321873.db2.gz WADJWNJHTLPUNL-KBPBESRZSA-N 2 2 297.399 -0.314 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)C1 ZINC000245470146 352321877 /nfs/dbraw/zinc/32/18/77/352321877.db2.gz WADJWNJHTLPUNL-KBPBESRZSA-N 2 2 297.399 -0.314 20 0 CBADLP COCC[N@@H+]1CCN(C(=O)[C@@]2(F)CC[NH2+]C2)C[C@H]1C ZINC000246231732 352329952 /nfs/dbraw/zinc/32/99/52/352329952.db2.gz HVNXTIFVSOWTTI-DGCLKSJQSA-N 2 2 273.352 -0.133 20 0 CBADLP COCC[N@H+]1CCN(C(=O)[C@@]2(F)CC[NH2+]C2)C[C@H]1C ZINC000246231732 352329958 /nfs/dbraw/zinc/32/99/58/352329958.db2.gz HVNXTIFVSOWTTI-DGCLKSJQSA-N 2 2 273.352 -0.133 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000246451846 352333729 /nfs/dbraw/zinc/33/37/29/352333729.db2.gz LZURPPNJPRQEOX-KGLIPLIRSA-N 2 2 297.399 -0.502 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000246451846 352333739 /nfs/dbraw/zinc/33/37/39/352333739.db2.gz LZURPPNJPRQEOX-KGLIPLIRSA-N 2 2 297.399 -0.502 20 0 CBADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCC(=O)OC)[C@@H](C)C1 ZINC000246868976 352339392 /nfs/dbraw/zinc/33/93/92/352339392.db2.gz PYPIYAFDGYSTEO-NWDGAFQWSA-N 2 2 285.388 -0.062 20 0 CBADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCC(=O)OC)[C@@H](C)C1 ZINC000246868976 352339394 /nfs/dbraw/zinc/33/93/94/352339394.db2.gz PYPIYAFDGYSTEO-NWDGAFQWSA-N 2 2 285.388 -0.062 20 0 CBADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCC(=O)OC)[C@@H](C)C1 ZINC000246868976 352339397 /nfs/dbraw/zinc/33/93/97/352339397.db2.gz PYPIYAFDGYSTEO-NWDGAFQWSA-N 2 2 285.388 -0.062 20 0 CBADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCC(=O)OC)[C@@H](C)C1 ZINC000246868976 352339399 /nfs/dbraw/zinc/33/93/99/352339399.db2.gz PYPIYAFDGYSTEO-NWDGAFQWSA-N 2 2 285.388 -0.062 20 0 CBADLP CNC(=O)[C@@H]1CCC[NH+]1CCC[N@@H+]1CCC[C@H]1C(=O)NC ZINC000246981615 352341444 /nfs/dbraw/zinc/34/14/44/352341444.db2.gz LWQZWBULDXPDLD-STQMWFEESA-N 2 2 296.415 -0.203 20 0 CBADLP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@H](C)c3nnnn3C)C2)CC1 ZINC000249440390 352365313 /nfs/dbraw/zinc/36/53/13/352365313.db2.gz SVQWOMWQXKKSAN-OLZOCXBDSA-N 2 2 293.419 -0.017 20 0 CBADLP CC[NH+]1CCN([C@H]2CC[N@H+]([C@H](C)c3nnnn3C)C2)CC1 ZINC000249440390 352365314 /nfs/dbraw/zinc/36/53/14/352365314.db2.gz SVQWOMWQXKKSAN-OLZOCXBDSA-N 2 2 293.419 -0.017 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000250419399 352373198 /nfs/dbraw/zinc/37/31/98/352373198.db2.gz LKXVSINCSHAUSF-NEPJUHHUSA-N 2 2 284.404 -0.217 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000250419399 352373199 /nfs/dbraw/zinc/37/31/99/352373199.db2.gz LKXVSINCSHAUSF-NEPJUHHUSA-N 2 2 284.404 -0.217 20 0 CBADLP COCC(=O)N1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000261881958 352400092 /nfs/dbraw/zinc/40/00/92/352400092.db2.gz RFADBCBNQBXXPM-ZDUSSCGKSA-N 2 2 255.362 -0.223 20 0 CBADLP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000252651449 352379486 /nfs/dbraw/zinc/37/94/86/352379486.db2.gz NCRNAYWPZDYPLV-SDDRHHMPSA-N 2 2 255.362 -0.179 20 0 CBADLP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000252651449 352379490 /nfs/dbraw/zinc/37/94/90/352379490.db2.gz NCRNAYWPZDYPLV-SDDRHHMPSA-N 2 2 255.362 -0.179 20 0 CBADLP O=C1CCC(=O)N1CC[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261572497 352389108 /nfs/dbraw/zinc/38/91/08/352389108.db2.gz LQNPXKCYKXTXCI-GHMZBOCLSA-N 2 2 251.330 -0.181 20 0 CBADLP O=C1CCC(=O)N1CC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261572497 352389112 /nfs/dbraw/zinc/38/91/12/352389112.db2.gz LQNPXKCYKXTXCI-GHMZBOCLSA-N 2 2 251.330 -0.181 20 0 CBADLP O=C(C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)N1CCOCC1 ZINC000261590987 352389426 /nfs/dbraw/zinc/38/94/26/352389426.db2.gz XGVPJQAUHMSMQL-NWDGAFQWSA-N 2 2 253.346 -0.471 20 0 CBADLP O=C(C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)N1CCOCC1 ZINC000261590987 352389429 /nfs/dbraw/zinc/38/94/29/352389429.db2.gz XGVPJQAUHMSMQL-NWDGAFQWSA-N 2 2 253.346 -0.471 20 0 CBADLP CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261588082 352389966 /nfs/dbraw/zinc/38/99/66/352389966.db2.gz VLXIAOMBLUTLBY-NXEZZACHSA-N 2 2 254.334 -0.627 20 0 CBADLP CCNC(=O)NC(=O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261588082 352389969 /nfs/dbraw/zinc/38/99/69/352389969.db2.gz VLXIAOMBLUTLBY-NXEZZACHSA-N 2 2 254.334 -0.627 20 0 CBADLP CCCNC(=O)NC(=O)C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261597125 352391114 /nfs/dbraw/zinc/39/11/14/352391114.db2.gz OSYZBCVYRCULMH-CYBMUJFWSA-N 2 2 268.361 -0.092 20 0 CBADLP CCCNC(=O)NC(=O)C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261597125 352391121 /nfs/dbraw/zinc/39/11/21/352391121.db2.gz OSYZBCVYRCULMH-CYBMUJFWSA-N 2 2 268.361 -0.092 20 0 CBADLP CCCNC(=O)NC(=O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261619096 352392213 /nfs/dbraw/zinc/39/22/13/352392213.db2.gz UKEVHICLRZFHGK-QWRGUYRKSA-N 2 2 268.361 -0.094 20 0 CBADLP CCCNC(=O)NC(=O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261619096 352392214 /nfs/dbraw/zinc/39/22/14/352392214.db2.gz UKEVHICLRZFHGK-QWRGUYRKSA-N 2 2 268.361 -0.094 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261763798 352395340 /nfs/dbraw/zinc/39/53/40/352395340.db2.gz VFZDBXWWGPHQAZ-QWHCGFSZSA-N 2 2 296.415 -0.488 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261763798 352395344 /nfs/dbraw/zinc/39/53/44/352395344.db2.gz VFZDBXWWGPHQAZ-QWHCGFSZSA-N 2 2 296.415 -0.488 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000261734490 352395560 /nfs/dbraw/zinc/39/55/60/352395560.db2.gz LLBJVFCJEWWJHZ-GFCCVEGCSA-N 2 2 284.404 -0.441 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000261734490 352395564 /nfs/dbraw/zinc/39/55/64/352395564.db2.gz LLBJVFCJEWWJHZ-GFCCVEGCSA-N 2 2 284.404 -0.441 20 0 CBADLP C[C@@]1(C[N@@H+]2CCCN(S(C)(=O)=O)CC2)CC[NH2+]C1 ZINC000261744165 352395624 /nfs/dbraw/zinc/39/56/24/352395624.db2.gz IUTOMAUBGSGLPS-GFCCVEGCSA-N 2 2 275.418 -0.047 20 0 CBADLP C[C@@]1(C[N@H+]2CCCN(S(C)(=O)=O)CC2)CC[NH2+]C1 ZINC000261744165 352395625 /nfs/dbraw/zinc/39/56/25/352395625.db2.gz IUTOMAUBGSGLPS-GFCCVEGCSA-N 2 2 275.418 -0.047 20 0 CBADLP C[C@]1(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)CC[NH2+]C1 ZINC000261747763 352395672 /nfs/dbraw/zinc/39/56/72/352395672.db2.gz JGOYIXJXHUTKSM-ZFWWWQNUSA-N 3 2 280.416 -0.118 20 0 CBADLP C[C@]1(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)CC[NH2+]C1 ZINC000261747763 352395674 /nfs/dbraw/zinc/39/56/74/352395674.db2.gz JGOYIXJXHUTKSM-ZFWWWQNUSA-N 3 2 280.416 -0.118 20 0 CBADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000261790517 352396467 /nfs/dbraw/zinc/39/64/67/352396467.db2.gz QEHGAHBVKIFDSN-AWEZNQCLSA-N 3 2 280.416 -0.118 20 0 CBADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000261790517 352396470 /nfs/dbraw/zinc/39/64/70/352396470.db2.gz QEHGAHBVKIFDSN-AWEZNQCLSA-N 3 2 280.416 -0.118 20 0 CBADLP CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261766640 352396591 /nfs/dbraw/zinc/39/65/91/352396591.db2.gz VMKNHWNIHCEWNV-VXGBXAGGSA-N 2 2 297.403 -0.800 20 0 CBADLP O=C([C@@H]1COCC[NH2+]1)N1CC[NH+](C2CCC2)CC1 ZINC000262256456 352412648 /nfs/dbraw/zinc/41/26/48/352412648.db2.gz QSKMIJDMDCZRDU-LBPRGKRZSA-N 2 2 253.346 -0.329 20 0 CBADLP CC1(C)C[N@H+](CCNC(=O)C[C@@H]2COCC[NH2+]2)CCO1 ZINC000262362555 352418386 /nfs/dbraw/zinc/41/83/86/352418386.db2.gz KPMMGIYTMWIKFP-GFCCVEGCSA-N 2 2 285.388 -0.408 20 0 CBADLP CC1(C)C[N@@H+](CCNC(=O)C[C@@H]2COCC[NH2+]2)CCO1 ZINC000262362555 352418389 /nfs/dbraw/zinc/41/83/89/352418389.db2.gz KPMMGIYTMWIKFP-GFCCVEGCSA-N 2 2 285.388 -0.408 20 0 CBADLP O=C([C@H]1COCC[NH2+]1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000262663471 352430736 /nfs/dbraw/zinc/43/07/36/352430736.db2.gz HJYWVTPZUDMDHQ-CQSZACIVSA-N 2 2 297.399 -0.454 20 0 CBADLP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)C[C@H]1C ZINC000263299116 352442280 /nfs/dbraw/zinc/44/22/80/352442280.db2.gz WVCKVUXVNXCPRM-OUAUKWLOSA-N 2 2 291.342 -0.103 20 0 CBADLP C[C@H](O)C[N@H+]1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)C[C@H]1C ZINC000263299116 352442284 /nfs/dbraw/zinc/44/22/84/352442284.db2.gz WVCKVUXVNXCPRM-OUAUKWLOSA-N 2 2 291.342 -0.103 20 0 CBADLP Cn1ccnc(N2CC[NH+](C[C@@]3(C)CC[NH2+]C3)CC2)c1=O ZINC000261984053 352402260 /nfs/dbraw/zinc/40/22/60/352402260.db2.gz JMJCIYMGGXIWIF-HNNXBMFYSA-N 2 2 291.399 -0.098 20 0 CBADLP C[C@@]1(C[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)CC[NH2+]C1 ZINC000262059004 352405698 /nfs/dbraw/zinc/40/56/98/352405698.db2.gz QXPWKNISFGSZRE-WDEREUQCSA-N 2 2 261.391 -0.391 20 0 CBADLP C[C@@]1(C[N@H+]2CC[C@H](NS(C)(=O)=O)C2)CC[NH2+]C1 ZINC000262059004 352405701 /nfs/dbraw/zinc/40/57/01/352405701.db2.gz QXPWKNISFGSZRE-WDEREUQCSA-N 2 2 261.391 -0.391 20 0 CBADLP Cc1ccc2[nH+]c(CNC(=O)[C@H]3C[C@H](O)C[NH2+]3)cn2c1 ZINC000269266876 352464618 /nfs/dbraw/zinc/46/46/18/352464618.db2.gz ZFMNFDFNRYWZSO-NWDGAFQWSA-N 2 2 274.324 -0.018 20 0 CBADLP CCN(CC)c1ccc(CNC(=O)[C@H]([NH3+])CC(N)=O)c[nH+]1 ZINC000269713682 352479416 /nfs/dbraw/zinc/47/94/16/352479416.db2.gz ONONIBKTSOFOKK-LLVKDONJSA-N 2 2 293.371 -0.253 20 0 CBADLP C[NH+](C)[C@@H](CNC(=O)C[N@H+](C)CC(N)=O)c1ccccc1 ZINC000274678265 352543153 /nfs/dbraw/zinc/54/31/53/352543153.db2.gz VZURYYDOOYDBBL-ZDUSSCGKSA-N 2 2 292.383 -0.177 20 0 CBADLP C[NH+](C)[C@@H](CNC(=O)C[N@@H+](C)CC(N)=O)c1ccccc1 ZINC000274678265 352543155 /nfs/dbraw/zinc/54/31/55/352543155.db2.gz VZURYYDOOYDBBL-ZDUSSCGKSA-N 2 2 292.383 -0.177 20 0 CBADLP CC[NH+](CC)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)OC ZINC000270742151 352498978 /nfs/dbraw/zinc/49/89/78/352498978.db2.gz LIIMOVPMTUNSRK-NSHDSACASA-N 2 2 282.344 -0.048 20 0 CBADLP CC[NH+](CC)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)OC ZINC000270742151 352498980 /nfs/dbraw/zinc/49/89/80/352498980.db2.gz LIIMOVPMTUNSRK-NSHDSACASA-N 2 2 282.344 -0.048 20 0 CBADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000270851379 352503035 /nfs/dbraw/zinc/50/30/35/352503035.db2.gz HYKQLXFKFQFMBL-LLVKDONJSA-N 2 2 272.374 -0.185 20 0 CBADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000270851379 352503040 /nfs/dbraw/zinc/50/30/40/352503040.db2.gz HYKQLXFKFQFMBL-LLVKDONJSA-N 2 2 272.374 -0.185 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)NCc2[nH+]ccn2C)CC1 ZINC000286931472 352651924 /nfs/dbraw/zinc/65/19/24/352651924.db2.gz QRZIKQXCEWJBRX-UHFFFAOYSA-N 2 2 279.344 -0.800 20 0 CBADLP C[C@@H](O)C[NH+]1CCN(C(=O)NCCCn2cc[nH+]c2)CC1 ZINC000287289491 352654494 /nfs/dbraw/zinc/65/44/94/352654494.db2.gz MNTLZECGMVVQLS-CYBMUJFWSA-N 2 2 295.387 -0.019 20 0 CBADLP CC[N@@H+]1CCCN(C(=O)C(=O)NCCn2cc[nH+]c2)CC1 ZINC000283974306 352633224 /nfs/dbraw/zinc/63/32/24/352633224.db2.gz NWWYABIOYWRCSJ-UHFFFAOYSA-N 2 2 293.371 -0.447 20 0 CBADLP CC[N@H+]1CCCN(C(=O)C(=O)NCCn2cc[nH+]c2)CC1 ZINC000283974306 352633226 /nfs/dbraw/zinc/63/32/26/352633226.db2.gz NWWYABIOYWRCSJ-UHFFFAOYSA-N 2 2 293.371 -0.447 20 0 CBADLP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000284140209 352635448 /nfs/dbraw/zinc/63/54/48/352635448.db2.gz VZTUFEGIINSAHO-ITKZLYELSA-N 2 2 291.355 -0.121 20 0 CBADLP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000284140209 352635451 /nfs/dbraw/zinc/63/54/51/352635451.db2.gz VZTUFEGIINSAHO-ITKZLYELSA-N 2 2 291.355 -0.121 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NCC[NH+]1CCOCC1 ZINC000298559152 352713007 /nfs/dbraw/zinc/71/30/07/352713007.db2.gz FCSVSRDTFZHPMT-GFCCVEGCSA-N 2 2 281.360 -0.097 20 0 CBADLP C[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)C[C@H]1O ZINC000299902782 352730805 /nfs/dbraw/zinc/73/08/05/352730805.db2.gz HYPFKXRLBUUAKL-VXGBXAGGSA-N 2 2 255.362 -0.537 20 0 CBADLP C[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C[C@H]1O ZINC000299902782 352730807 /nfs/dbraw/zinc/73/08/07/352730807.db2.gz HYPFKXRLBUUAKL-VXGBXAGGSA-N 2 2 255.362 -0.537 20 0 CBADLP C[C@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)C[C@H]1O ZINC000299902780 352731379 /nfs/dbraw/zinc/73/13/79/352731379.db2.gz HYPFKXRLBUUAKL-NWDGAFQWSA-N 2 2 255.362 -0.537 20 0 CBADLP C[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C[C@H]1O ZINC000299902780 352731383 /nfs/dbraw/zinc/73/13/83/352731383.db2.gz HYPFKXRLBUUAKL-NWDGAFQWSA-N 2 2 255.362 -0.537 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C(N)=O)CC[C@H]1C ZINC000313168525 352777494 /nfs/dbraw/zinc/77/74/94/352777494.db2.gz UHRYWBKRYAJTCD-UPJWGTAASA-N 2 2 287.404 -0.489 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C(N)=O)CC[C@H]1C ZINC000313168525 352777498 /nfs/dbraw/zinc/77/74/98/352777498.db2.gz UHRYWBKRYAJTCD-UPJWGTAASA-N 2 2 287.404 -0.489 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C(N)=O)CC[C@H]1C ZINC000313168525 352777499 /nfs/dbraw/zinc/77/74/99/352777499.db2.gz UHRYWBKRYAJTCD-UPJWGTAASA-N 2 2 287.404 -0.489 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](C(N)=O)CC[C@H]1C ZINC000313168525 352777502 /nfs/dbraw/zinc/77/75/02/352777502.db2.gz UHRYWBKRYAJTCD-UPJWGTAASA-N 2 2 287.404 -0.489 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)CC1(O)CCOCC1 ZINC000312877627 352775756 /nfs/dbraw/zinc/77/57/56/352775756.db2.gz ZIUOMOYFNSIBFB-CYBMUJFWSA-N 2 2 290.404 -0.601 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)CC1(O)CCOCC1 ZINC000312877627 352775760 /nfs/dbraw/zinc/77/57/60/352775760.db2.gz ZIUOMOYFNSIBFB-CYBMUJFWSA-N 2 2 290.404 -0.601 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)CC1(O)CCOCC1 ZINC000312877627 352775763 /nfs/dbraw/zinc/77/57/63/352775763.db2.gz ZIUOMOYFNSIBFB-CYBMUJFWSA-N 2 2 290.404 -0.601 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)CC1(O)CCOCC1 ZINC000312877627 352775766 /nfs/dbraw/zinc/77/57/66/352775766.db2.gz ZIUOMOYFNSIBFB-CYBMUJFWSA-N 2 2 290.404 -0.601 20 0 CBADLP C[NH+](C)[C@@H]1CCCN(C[C@H](O)C[NH+]2CCOCC2)C1 ZINC000304060956 352745632 /nfs/dbraw/zinc/74/56/32/352745632.db2.gz PAJNJGGXBHYJNR-ZIAGYGMSSA-N 2 2 271.405 -0.295 20 0 CBADLP CC[N@H+](CC(=O)N1CC[NH+](CCO)CC1)C1CC1 ZINC000305225110 352748679 /nfs/dbraw/zinc/74/86/79/352748679.db2.gz KKLGSFWZJGMDFS-UHFFFAOYSA-N 2 2 255.362 -0.393 20 0 CBADLP CC[N@@H+](CC(=O)N1CC[NH+](CCO)CC1)C1CC1 ZINC000305225110 352748681 /nfs/dbraw/zinc/74/86/81/352748681.db2.gz KKLGSFWZJGMDFS-UHFFFAOYSA-N 2 2 255.362 -0.393 20 0 CBADLP CCS(=O)(=O)C[C@@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000305759572 352750532 /nfs/dbraw/zinc/75/05/32/352750532.db2.gz CVVOKEQOJLCAAS-VXGBXAGGSA-N 2 2 278.418 -0.144 20 0 CBADLP CCS(=O)(=O)C[C@@H](C)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000305759569 352751108 /nfs/dbraw/zinc/75/11/08/352751108.db2.gz CVVOKEQOJLCAAS-NEPJUHHUSA-N 2 2 278.418 -0.144 20 0 CBADLP C[NH+](C)CC(C)(C)NC[C@H](O)C[NH+]1CCOCC1 ZINC000308634684 352754413 /nfs/dbraw/zinc/75/44/13/352754413.db2.gz FLFPHTBWUFWFHB-LBPRGKRZSA-N 2 2 259.394 -0.391 20 0 CBADLP C[NH2+]C[C@@H]1CCC[N@H+](CCS(=O)(=O)N(C)C)C1 ZINC000310272453 352757969 /nfs/dbraw/zinc/75/79/69/352757969.db2.gz DRMOJGVRNLMWOF-NSHDSACASA-N 2 2 263.407 -0.191 20 0 CBADLP C[NH2+]C[C@@H]1CCC[N@@H+](CCS(=O)(=O)N(C)C)C1 ZINC000310272453 352757973 /nfs/dbraw/zinc/75/79/73/352757973.db2.gz DRMOJGVRNLMWOF-NSHDSACASA-N 2 2 263.407 -0.191 20 0 CBADLP CCCCn1nnnc1C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000313758344 352779253 /nfs/dbraw/zinc/77/92/53/352779253.db2.gz HZIQQFWCZPJECQ-ZDUSSCGKSA-N 2 2 293.419 -0.047 20 0 CBADLP CCCCn1nnnc1C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000313758344 352779255 /nfs/dbraw/zinc/77/92/55/352779255.db2.gz HZIQQFWCZPJECQ-ZDUSSCGKSA-N 2 2 293.419 -0.047 20 0 CBADLP C[C@H]1OCC[C@@H]1[N@H+](CCO)CC(=O)N1CC[NH+](C)CC1 ZINC000330134354 352805971 /nfs/dbraw/zinc/80/59/71/352805971.db2.gz RXDCEHXQBQVCDG-OLZOCXBDSA-N 2 2 285.388 -0.768 20 0 CBADLP C[C@H]1OCC[C@@H]1[N@@H+](CCO)CC(=O)N1CC[NH+](C)CC1 ZINC000330134354 352805977 /nfs/dbraw/zinc/80/59/77/352805977.db2.gz RXDCEHXQBQVCDG-OLZOCXBDSA-N 2 2 285.388 -0.768 20 0 CBADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000330954546 352858974 /nfs/dbraw/zinc/85/89/74/352858974.db2.gz AMZUNXQPTOXZIS-ZIAGYGMSSA-N 2 2 299.415 -0.066 20 0 CBADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000330954546 352858975 /nfs/dbraw/zinc/85/89/75/352858975.db2.gz AMZUNXQPTOXZIS-ZIAGYGMSSA-N 2 2 299.415 -0.066 20 0 CBADLP CCCC[NH+]1CCOC[C@@H]1C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000330954546 352858977 /nfs/dbraw/zinc/85/89/77/352858977.db2.gz AMZUNXQPTOXZIS-ZIAGYGMSSA-N 2 2 299.415 -0.066 20 0 CBADLP CCCC[NH+]1CCOC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000330954546 352858978 /nfs/dbraw/zinc/85/89/78/352858978.db2.gz AMZUNXQPTOXZIS-ZIAGYGMSSA-N 2 2 299.415 -0.066 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)NC[C@H](C)C[NH+]2CCOCC2)[N@H+](C)C1 ZINC000330529579 352841192 /nfs/dbraw/zinc/84/11/92/352841192.db2.gz FTGIRXCKVBFRLP-IHRRRGAJSA-N 2 2 299.415 -0.210 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)NC[C@H](C)C[NH+]2CCOCC2)[N@@H+](C)C1 ZINC000330529579 352841195 /nfs/dbraw/zinc/84/11/95/352841195.db2.gz FTGIRXCKVBFRLP-IHRRRGAJSA-N 2 2 299.415 -0.210 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)N[C@@H](C)C[NH+]2CCOCC2)[N@H+](C)C1 ZINC000330546694 352844780 /nfs/dbraw/zinc/84/47/80/352844780.db2.gz ZFRRUSPRYWZTQP-AVGNSLFASA-N 2 2 285.388 -0.458 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)N[C@@H](C)C[NH+]2CCOCC2)[N@@H+](C)C1 ZINC000330546694 352844783 /nfs/dbraw/zinc/84/47/83/352844783.db2.gz ZFRRUSPRYWZTQP-AVGNSLFASA-N 2 2 285.388 -0.458 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000331149283 352884533 /nfs/dbraw/zinc/88/45/33/352884533.db2.gz IXDOYCKCBJQDIW-ZIAGYGMSSA-N 2 2 299.415 -0.520 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000331149283 352884535 /nfs/dbraw/zinc/88/45/35/352884535.db2.gz IXDOYCKCBJQDIW-ZIAGYGMSSA-N 2 2 299.415 -0.520 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000331149280 352884727 /nfs/dbraw/zinc/88/47/27/352884727.db2.gz IXDOYCKCBJQDIW-KBPBESRZSA-N 2 2 299.415 -0.520 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000331149280 352884732 /nfs/dbraw/zinc/88/47/32/352884732.db2.gz IXDOYCKCBJQDIW-KBPBESRZSA-N 2 2 299.415 -0.520 20 0 CBADLP C[N@@H+](CC(N)=O)C[C@H]1CN(C(=O)[C@@H]2CCC[NH+]2C)CCO1 ZINC000331255970 352896499 /nfs/dbraw/zinc/89/64/99/352896499.db2.gz YYWUIIZOEOMXTA-RYUDHWBXSA-N 2 2 298.387 -0.225 20 0 CBADLP C[N@H+](CC(N)=O)C[C@H]1CN(C(=O)[C@@H]2CCC[NH+]2C)CCO1 ZINC000331255970 352896503 /nfs/dbraw/zinc/89/65/03/352896503.db2.gz YYWUIIZOEOMXTA-RYUDHWBXSA-N 2 2 298.387 -0.225 20 0 CBADLP C[NH+](CC(N)=O)C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CCO1 ZINC000331255970 352896504 /nfs/dbraw/zinc/89/65/04/352896504.db2.gz YYWUIIZOEOMXTA-RYUDHWBXSA-N 2 2 298.387 -0.225 20 0 CBADLP C[NH+](CC(N)=O)C[C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)CCO1 ZINC000331255970 352896508 /nfs/dbraw/zinc/89/65/08/352896508.db2.gz YYWUIIZOEOMXTA-RYUDHWBXSA-N 2 2 298.387 -0.225 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+](CCO)C2CCOCC2)CC1 ZINC000331284302 352901269 /nfs/dbraw/zinc/90/12/69/352901269.db2.gz FMVKUCMJPITVGA-UHFFFAOYSA-N 2 2 285.388 -0.766 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+](CCO)C2CCOCC2)CC1 ZINC000331284302 352901272 /nfs/dbraw/zinc/90/12/72/352901272.db2.gz FMVKUCMJPITVGA-UHFFFAOYSA-N 2 2 285.388 -0.766 20 0 CBADLP C[N@@H+]1CCO[C@@H](CNC(=O)N[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000332833162 352987886 /nfs/dbraw/zinc/98/78/86/352987886.db2.gz VKSXTQLKLXKXIB-AAEUAGOBSA-N 2 2 282.388 -0.147 20 0 CBADLP C[N@H+]1CCO[C@@H](CNC(=O)N[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000332833162 352987888 /nfs/dbraw/zinc/98/78/88/352987888.db2.gz VKSXTQLKLXKXIB-AAEUAGOBSA-N 2 2 282.388 -0.147 20 0 CBADLP C[NH+]1CCO[C@@H](CNC(=O)N[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000332833162 352987893 /nfs/dbraw/zinc/98/78/93/352987893.db2.gz VKSXTQLKLXKXIB-AAEUAGOBSA-N 2 2 282.388 -0.147 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCOC[C@H](O)C2)CC1 ZINC000332281151 352942394 /nfs/dbraw/zinc/94/23/94/352942394.db2.gz GAHLFLJUPGPZDY-CHWSQXEVSA-N 2 2 285.388 -0.768 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCOC[C@H](O)C2)CC1 ZINC000332281151 352942397 /nfs/dbraw/zinc/94/23/97/352942397.db2.gz GAHLFLJUPGPZDY-CHWSQXEVSA-N 2 2 285.388 -0.768 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000332349144 352945738 /nfs/dbraw/zinc/94/57/38/352945738.db2.gz UMGWRRUNYFALCL-GFCCVEGCSA-N 2 2 282.388 -0.591 20 0 CBADLP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000332543550 352964609 /nfs/dbraw/zinc/96/46/09/352964609.db2.gz AAARVJMXEFSXDA-MJBXVCDLSA-N 2 2 299.415 -0.332 20 0 CBADLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000332543550 352964612 /nfs/dbraw/zinc/96/46/12/352964612.db2.gz AAARVJMXEFSXDA-MJBXVCDLSA-N 2 2 299.415 -0.332 20 0 CBADLP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000332543547 352964661 /nfs/dbraw/zinc/96/46/61/352964661.db2.gz AAARVJMXEFSXDA-HZSPNIEDSA-N 2 2 299.415 -0.332 20 0 CBADLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000332543547 352964664 /nfs/dbraw/zinc/96/46/64/352964664.db2.gz AAARVJMXEFSXDA-HZSPNIEDSA-N 2 2 299.415 -0.332 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000332581321 352967954 /nfs/dbraw/zinc/96/79/54/352967954.db2.gz BSMKMMQRCWMCJF-CHWSQXEVSA-N 2 2 294.399 -0.782 20 0 CBADLP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)N1CCn2c[nH+]cc2C1 ZINC000332592459 352967985 /nfs/dbraw/zinc/96/79/85/352967985.db2.gz GMTUPYQOHVETQP-WDEREUQCSA-N 2 2 291.355 -0.566 20 0 CBADLP C[C@H]1CN(C(=O)C(=O)N2CCn3c[nH+]cc3C2)[C@@H](C)C[NH2+]1 ZINC000332592458 352968073 /nfs/dbraw/zinc/96/80/73/352968073.db2.gz GMTUPYQOHVETQP-QWRGUYRKSA-N 2 2 291.355 -0.566 20 0 CBADLP [NH3+][C@H]1CCN(C(=O)NC[C@H]2CC[NH2+]CC2(F)F)C1 ZINC000335056922 353029691 /nfs/dbraw/zinc/02/96/91/353029691.db2.gz BSAMPBKNTBJKPU-BDAKNGLRSA-N 2 2 262.304 -0.026 20 0 CBADLP CN1CCN(c2cc(N[C@H]3CC[NH2+]C3)nc[nH+]2)CC1=O ZINC000333501207 353001782 /nfs/dbraw/zinc/00/17/82/353001782.db2.gz HTLGXQJTIULFDP-JTQLQIEISA-N 2 2 276.344 -0.471 20 0 CBADLP CCN1C[C@H]([NH2+][C@H](C)C[C@H]2COCC[NH2+]2)CC1=O ZINC000333551756 353003519 /nfs/dbraw/zinc/00/35/19/353003519.db2.gz MQOWTPLLOAQDGI-UTUOFQBUSA-N 2 2 255.362 -0.036 20 0 CBADLP C[NH+]1CCN(C(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)CC1 ZINC000333637560 353006567 /nfs/dbraw/zinc/00/65/67/353006567.db2.gz WTFCXPKBRDBNPA-NSHDSACASA-N 2 2 278.360 -0.410 20 0 CBADLP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000333745282 353009282 /nfs/dbraw/zinc/00/92/82/353009282.db2.gz JKEUFBDSKMAWCN-RYUDHWBXSA-N 2 2 282.388 -0.018 20 0 CBADLP O=C(NCC1([NH+]2CCOCC2)CC1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000333814086 353011613 /nfs/dbraw/zinc/01/16/13/353011613.db2.gz QBDNVTWOEVNJFQ-OLZOCXBDSA-N 2 2 294.399 -0.146 20 0 CBADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N(C)CC[NH+]1CCOCC1 ZINC000333876072 353012830 /nfs/dbraw/zinc/01/28/30/353012830.db2.gz VIQFXKJABZPEDY-OLZOCXBDSA-N 2 2 284.404 -0.042 20 0 CBADLP CC(C)[C@@H]1C[N@H+](C)CCN1C[C@H](O)C[NH+]1CCOCC1 ZINC000336827005 353061049 /nfs/dbraw/zinc/06/10/49/353061049.db2.gz ZTPISKATUSNQJZ-CABCVRRESA-N 2 2 285.432 -0.049 20 0 CBADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C[C@H](O)C[NH+]1CCOCC1 ZINC000336827005 353061053 /nfs/dbraw/zinc/06/10/53/353061053.db2.gz ZTPISKATUSNQJZ-CABCVRRESA-N 2 2 285.432 -0.049 20 0 CBADLP COC(=O)[C@H]1CC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000336791459 353053533 /nfs/dbraw/zinc/05/35/33/353053533.db2.gz NOMGEUUZVQSFBM-JQWIXIFHSA-N 2 2 256.346 -0.064 20 0 CBADLP COC(=O)[C@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000336791459 353053536 /nfs/dbraw/zinc/05/35/36/353053536.db2.gz NOMGEUUZVQSFBM-JQWIXIFHSA-N 2 2 256.346 -0.064 20 0 CBADLP COC(=O)[C@H]1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000336791459 353053538 /nfs/dbraw/zinc/05/35/38/353053538.db2.gz NOMGEUUZVQSFBM-JQWIXIFHSA-N 2 2 256.346 -0.064 20 0 CBADLP COC(=O)[C@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000336791459 353053540 /nfs/dbraw/zinc/05/35/40/353053540.db2.gz NOMGEUUZVQSFBM-JQWIXIFHSA-N 2 2 256.346 -0.064 20 0 CBADLP CN(C)c1[nH+]cc(C[NH2+][C@@H]2CC(=O)N(C)C2)n1C ZINC000336793946 353054404 /nfs/dbraw/zinc/05/44/04/353054404.db2.gz ZCISSKZYERQVLZ-SECBINFHSA-N 2 2 251.334 -0.194 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@@](F)(CO)C2)CC1 ZINC000338594640 353107224 /nfs/dbraw/zinc/10/72/24/353107224.db2.gz ZVQKNISZYBBDBV-OCCSQVGLSA-N 2 2 287.379 -0.055 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@@](F)(CO)C2)CC1 ZINC000338594640 353107228 /nfs/dbraw/zinc/10/72/28/353107228.db2.gz ZVQKNISZYBBDBV-OCCSQVGLSA-N 2 2 287.379 -0.055 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@](F)(CO)C2)CC1 ZINC000338594648 353107361 /nfs/dbraw/zinc/10/73/61/353107361.db2.gz QDFSECNCAKEINU-GFCCVEGCSA-N 2 2 259.325 -0.833 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@](F)(CO)C2)CC1 ZINC000338594648 353107363 /nfs/dbraw/zinc/10/73/63/353107363.db2.gz QDFSECNCAKEINU-GFCCVEGCSA-N 2 2 259.325 -0.833 20 0 CBADLP C[NH+](C)CC(=O)NCCC1CCN(C(=O)C[NH+](C)C)CC1 ZINC000338590205 353107538 /nfs/dbraw/zinc/10/75/38/353107538.db2.gz DYOPMYZIRZBFAE-UHFFFAOYSA-N 2 2 298.431 -0.146 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[NH+](C)CC1 ZINC000337445522 353083404 /nfs/dbraw/zinc/08/34/04/353083404.db2.gz CCAXFOOMFQYJQY-GFCCVEGCSA-N 2 2 270.377 -0.336 20 0 CBADLP C[C@H]1CO[C@H](CO)C[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338271583 353092439 /nfs/dbraw/zinc/09/24/39/353092439.db2.gz NNRJTYGXDHQZBM-STQMWFEESA-N 2 2 285.388 -0.768 20 0 CBADLP C[C@H]1CO[C@H](CO)C[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338271583 353092440 /nfs/dbraw/zinc/09/24/40/353092440.db2.gz NNRJTYGXDHQZBM-STQMWFEESA-N 2 2 285.388 -0.768 20 0 CBADLP CC[N@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1cn(C)nn1 ZINC000338292594 353093661 /nfs/dbraw/zinc/09/36/61/353093661.db2.gz SOTMRTKZHASKDM-UHFFFAOYSA-N 2 2 294.403 -0.199 20 0 CBADLP CC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1cn(C)nn1 ZINC000338292594 353093665 /nfs/dbraw/zinc/09/36/65/353093665.db2.gz SOTMRTKZHASKDM-UHFFFAOYSA-N 2 2 294.403 -0.199 20 0 CBADLP C[N@@H+](CC(=O)N1CCNC(=O)C1)C[C@H]1CCC[NH+](C)C1 ZINC000152420831 188017909 /nfs/dbraw/zinc/01/79/09/188017909.db2.gz XXIGCXYEHPCHRB-LBPRGKRZSA-N 2 2 282.388 -0.782 20 0 CBADLP C[N@H+](CC(=O)N1CCNC(=O)C1)C[C@H]1CCC[NH+](C)C1 ZINC000152420831 188017911 /nfs/dbraw/zinc/01/79/11/188017911.db2.gz XXIGCXYEHPCHRB-LBPRGKRZSA-N 2 2 282.388 -0.782 20 0 CBADLP C[NH+](CC(=O)N1CCNC(=O)C1)C[C@H]1CCC[N@H+](C)C1 ZINC000152420831 188017912 /nfs/dbraw/zinc/01/79/12/188017912.db2.gz XXIGCXYEHPCHRB-LBPRGKRZSA-N 2 2 282.388 -0.782 20 0 CBADLP C[NH+](CC(=O)N1CCNC(=O)C1)C[C@H]1CCC[N@@H+](C)C1 ZINC000152420831 188017913 /nfs/dbraw/zinc/01/79/13/188017913.db2.gz XXIGCXYEHPCHRB-LBPRGKRZSA-N 2 2 282.388 -0.782 20 0 CBADLP CC[C@@H](Cn1cncn1)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000340472787 353171978 /nfs/dbraw/zinc/17/19/78/353171978.db2.gz BOEZIGWHHUBALR-STQMWFEESA-N 2 2 294.403 -0.014 20 0 CBADLP CC[C@@H](Cn1cncn1)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000340472787 353171980 /nfs/dbraw/zinc/17/19/80/353171980.db2.gz BOEZIGWHHUBALR-STQMWFEESA-N 2 2 294.403 -0.014 20 0 CBADLP CN1CC[C@H]([N@H+](C)C2CC[NH+](CCO)CC2)C1=O ZINC000341476364 353214785 /nfs/dbraw/zinc/21/47/85/353214785.db2.gz CJCQHVDSLIWDBM-LBPRGKRZSA-N 2 2 255.362 -0.394 20 0 CBADLP CN1CC[C@H]([N@@H+](C)C2CC[NH+](CCO)CC2)C1=O ZINC000341476364 353214787 /nfs/dbraw/zinc/21/47/87/353214787.db2.gz CJCQHVDSLIWDBM-LBPRGKRZSA-N 2 2 255.362 -0.394 20 0 CBADLP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH+]1CCOCC1 ZINC000341069225 353200463 /nfs/dbraw/zinc/20/04/63/353200463.db2.gz WCYTVDGEXNWCFB-RYUDHWBXSA-N 2 2 255.362 -0.368 20 0 CBADLP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH+]1CCOCC1 ZINC000341069225 353200465 /nfs/dbraw/zinc/20/04/65/353200465.db2.gz WCYTVDGEXNWCFB-RYUDHWBXSA-N 2 2 255.362 -0.368 20 0 CBADLP C[C@H](CNC(=O)N1CC[NH+](C)CC1)C[NH+]1CCN(C)CC1 ZINC000341238236 353206870 /nfs/dbraw/zinc/20/68/70/353206870.db2.gz IFKCMENDMHGOEG-CQSZACIVSA-N 2 2 297.447 -0.173 20 0 CBADLP C[C@H](CNC(=O)N1CC[NH+](C)CC1)CN1CC[NH+](C)CC1 ZINC000341238236 353206872 /nfs/dbraw/zinc/20/68/72/353206872.db2.gz IFKCMENDMHGOEG-CQSZACIVSA-N 2 2 297.447 -0.173 20 0 CBADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCn2cc(C(=O)OC)nn2)C1 ZINC000341269547 353207280 /nfs/dbraw/zinc/20/72/80/353207280.db2.gz LPUBRQKWUFCXMR-GHMZBOCLSA-N 2 2 281.360 -0.006 20 0 CBADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCn2cc(C(=O)OC)nn2)C1 ZINC000341269547 353207284 /nfs/dbraw/zinc/20/72/84/353207284.db2.gz LPUBRQKWUFCXMR-GHMZBOCLSA-N 2 2 281.360 -0.006 20 0 CBADLP COC(=O)c1cn(CC[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)nn1 ZINC000341276457 353207795 /nfs/dbraw/zinc/20/77/95/353207795.db2.gz SVLNWUCHLXSKFD-NXEZZACHSA-N 2 2 267.333 -0.396 20 0 CBADLP COC(=O)c1cn(CC[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)nn1 ZINC000341276457 353207799 /nfs/dbraw/zinc/20/77/99/353207799.db2.gz SVLNWUCHLXSKFD-NXEZZACHSA-N 2 2 267.333 -0.396 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@@H]([NH3+])CCC(=O)OC)CC1 ZINC000342766231 353232184 /nfs/dbraw/zinc/23/21/84/353232184.db2.gz SWTIGMXSVFPOCL-NSHDSACASA-N 2 2 287.360 -0.943 20 0 CBADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000342688950 353228044 /nfs/dbraw/zinc/22/80/44/353228044.db2.gz QYDKMTICNDFGFC-RTXFEEFZSA-N 2 2 267.373 -0.084 20 0 CBADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000342688950 353228046 /nfs/dbraw/zinc/22/80/46/353228046.db2.gz QYDKMTICNDFGFC-RTXFEEFZSA-N 2 2 267.373 -0.084 20 0 CBADLP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000342688950 353228048 /nfs/dbraw/zinc/22/80/48/353228048.db2.gz QYDKMTICNDFGFC-RTXFEEFZSA-N 2 2 267.373 -0.084 20 0 CBADLP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000342688950 353228050 /nfs/dbraw/zinc/22/80/50/353228050.db2.gz QYDKMTICNDFGFC-RTXFEEFZSA-N 2 2 267.373 -0.084 20 0 CBADLP COC(=O)CC[C@H]([NH3+])C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000342721251 353229094 /nfs/dbraw/zinc/22/90/94/353229094.db2.gz YUGFYHZFPHMPSO-MNOVXSKESA-N 2 2 287.360 -0.896 20 0 CBADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@H]1CC[NH2+]CC1(F)F ZINC000343493133 353275442 /nfs/dbraw/zinc/27/54/42/353275442.db2.gz AYRQNNSOVAWWSC-WDEREUQCSA-N 2 2 290.358 -0.407 20 0 CBADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@H]1CC[NH2+]CC1(F)F ZINC000343493133 353275445 /nfs/dbraw/zinc/27/54/45/353275445.db2.gz AYRQNNSOVAWWSC-WDEREUQCSA-N 2 2 290.358 -0.407 20 0 CBADLP CNC(=O)C[NH+]1CCC(N[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000343270628 353262475 /nfs/dbraw/zinc/26/24/75/353262475.db2.gz FLTFEQJNZLUTSM-WCQYABFASA-N 2 2 268.405 -0.264 20 0 CBADLP CNC(=O)C[NH+]1CCC(N[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000343270628 353262477 /nfs/dbraw/zinc/26/24/77/353262477.db2.gz FLTFEQJNZLUTSM-WCQYABFASA-N 2 2 268.405 -0.264 20 0 CBADLP C[NH+](C)CC(=O)NC[C@@H](NC(=O)C[NH+](C)C)C(C)(C)C ZINC000343842692 353294222 /nfs/dbraw/zinc/29/42/22/353294222.db2.gz QSMGCCKRKZTSEF-LLVKDONJSA-N 2 2 286.420 -0.243 20 0 CBADLP C[C@H]1C[C@H](CO)CC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000344188447 353304204 /nfs/dbraw/zinc/30/42/04/353304204.db2.gz WCURQAMIXLJTQF-QWHCGFSZSA-N 2 2 269.389 -0.147 20 0 CBADLP C[C@H]1C[C@H](CO)CC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000344188447 353304208 /nfs/dbraw/zinc/30/42/08/353304208.db2.gz WCURQAMIXLJTQF-QWHCGFSZSA-N 2 2 269.389 -0.147 20 0 CBADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@H]([NH3+])CC(F)F)CC1 ZINC000345693000 353343957 /nfs/dbraw/zinc/34/39/57/353343957.db2.gz NQYPQTKCXCMYDE-MRVPVSSYSA-N 2 2 292.330 -0.623 20 0 CBADLP O=C1NC(=O)N2CC[N@H+](C[C@H]3CCC[NH2+]C3)C[C@H]12 ZINC000346979003 353394469 /nfs/dbraw/zinc/39/44/69/353394469.db2.gz LNZPBSFHKYCHBX-VHSXEESVSA-N 2 2 252.318 -0.778 20 0 CBADLP O=C1NC(=O)N2CC[N@@H+](C[C@H]3CCC[NH2+]C3)C[C@H]12 ZINC000346979003 353394470 /nfs/dbraw/zinc/39/44/70/353394470.db2.gz LNZPBSFHKYCHBX-VHSXEESVSA-N 2 2 252.318 -0.778 20 0 CBADLP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1cn(C)c(=O)n(C)c1=O ZINC000347019962 353394525 /nfs/dbraw/zinc/39/45/25/353394525.db2.gz MMRUCAVNXVVUBF-CMPLNLGQSA-N 2 2 280.372 -0.214 20 0 CBADLP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1cn(C)c(=O)n(C)c1=O ZINC000347019962 353394530 /nfs/dbraw/zinc/39/45/30/353394530.db2.gz MMRUCAVNXVVUBF-CMPLNLGQSA-N 2 2 280.372 -0.214 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000346294628 353370215 /nfs/dbraw/zinc/37/02/15/353370215.db2.gz CCIZRBHPYDMNSP-UHFFFAOYSA-N 2 2 293.371 -0.459 20 0 CBADLP Cc1[nH]c[nH+]c1CC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000346294628 353370218 /nfs/dbraw/zinc/37/02/18/353370218.db2.gz CCIZRBHPYDMNSP-UHFFFAOYSA-N 2 2 293.371 -0.459 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@H](C)CC[NH+](C)C ZINC000346323700 353371446 /nfs/dbraw/zinc/37/14/46/353371446.db2.gz CMPYKZPBDHGGJU-GFCCVEGCSA-N 2 2 286.420 -0.101 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@H](C)CC[NH+](C)C ZINC000346323700 353371449 /nfs/dbraw/zinc/37/14/49/353371449.db2.gz CMPYKZPBDHGGJU-GFCCVEGCSA-N 2 2 286.420 -0.101 20 0 CBADLP C[NH+](C)C1CC[NH+](CCNC(=O)CCOC2C[NH2+]C2)CC1 ZINC000348994934 353443899 /nfs/dbraw/zinc/44/38/99/353443899.db2.gz UIGGKTRZQDREGV-UHFFFAOYSA-N 3 2 298.431 -0.493 20 0 CBADLP C[C@H](NC(=O)CCOC1C[NH2+]C1)[C@H](C)[NH+]1CCOCC1 ZINC000349006190 353444770 /nfs/dbraw/zinc/44/47/70/353444770.db2.gz TXWWEIBPBPZPFW-RYUDHWBXSA-N 2 2 285.388 -0.410 20 0 CBADLP C[C@@H]1OCC[C@H]1[N@H+](CCO)C[C@@H](O)C[NH+](C)C1CC1 ZINC000352364764 353482377 /nfs/dbraw/zinc/48/23/77/353482377.db2.gz IHXXXKKRMWSBBI-FPMFFAJLSA-N 2 2 272.389 -0.087 20 0 CBADLP C[C@@H]1OCC[C@H]1[N@@H+](CCO)C[C@@H](O)C[NH+](C)C1CC1 ZINC000352364764 353482379 /nfs/dbraw/zinc/48/23/79/353482379.db2.gz IHXXXKKRMWSBBI-FPMFFAJLSA-N 2 2 272.389 -0.087 20 0 CBADLP C[C@@H]1OCC[C@H]1[NH+](CCO)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000352364764 353482380 /nfs/dbraw/zinc/48/23/80/353482380.db2.gz IHXXXKKRMWSBBI-FPMFFAJLSA-N 2 2 272.389 -0.087 20 0 CBADLP C[C@@H]1OCC[C@H]1[NH+](CCO)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000352364764 353482381 /nfs/dbraw/zinc/48/23/81/353482381.db2.gz IHXXXKKRMWSBBI-FPMFFAJLSA-N 2 2 272.389 -0.087 20 0 CBADLP CC(C)[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1nncn1C ZINC000352466746 353486352 /nfs/dbraw/zinc/48/63/52/353486352.db2.gz FFBIZVILDBHAAQ-CYBMUJFWSA-N 2 2 294.403 -0.124 20 0 CBADLP CN(CC1CC1)C(=O)C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000352489246 353487139 /nfs/dbraw/zinc/48/71/39/353487139.db2.gz ZAFOFDCCSGXPCY-CQSZACIVSA-N 2 2 280.416 -0.166 20 0 CBADLP C[C@H](CC[NH+](C)C)NC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000349639112 353458328 /nfs/dbraw/zinc/45/83/28/353458328.db2.gz RCULNOIPPWFGIN-OLZOCXBDSA-N 2 2 285.436 -0.128 20 0 CBADLP C[C@H](CC[NH+](C)C)NC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000349639112 353458331 /nfs/dbraw/zinc/45/83/31/353458331.db2.gz RCULNOIPPWFGIN-OLZOCXBDSA-N 2 2 285.436 -0.128 20 0 CBADLP CC(C)[NH+]1CCN(C(=O)NC[C@H]2C[N@H+](C)CCN2C)CC1 ZINC000350075094 353471704 /nfs/dbraw/zinc/47/17/04/353471704.db2.gz PHQLWTUUKYJOJF-AWEZNQCLSA-N 2 2 297.447 -0.032 20 0 CBADLP CC(C)[NH+]1CCN(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC000350075094 353471706 /nfs/dbraw/zinc/47/17/06/353471706.db2.gz PHQLWTUUKYJOJF-AWEZNQCLSA-N 2 2 297.447 -0.032 20 0 CBADLP CNC(=O)[C@H]1CCC[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000351448024 353474761 /nfs/dbraw/zinc/47/47/61/353474761.db2.gz WDMZZALSUSUPKT-NWDGAFQWSA-N 2 2 255.362 -0.348 20 0 CBADLP CNC(=O)[C@H]1CCC[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000351448024 353474763 /nfs/dbraw/zinc/47/47/63/353474763.db2.gz WDMZZALSUSUPKT-NWDGAFQWSA-N 2 2 255.362 -0.348 20 0 CBADLP CNC(=O)[C@H]1CCC[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351448024 353474769 /nfs/dbraw/zinc/47/47/69/353474769.db2.gz WDMZZALSUSUPKT-NWDGAFQWSA-N 2 2 255.362 -0.348 20 0 CBADLP C[C@H](C[NH+](C)C)NC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000352896747 353509418 /nfs/dbraw/zinc/50/94/18/353509418.db2.gz CPWBIODNSRZMOY-VXGBXAGGSA-N 2 2 272.393 -0.044 20 0 CBADLP C[C@H](C[NH+](C)C)NC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000352896747 353509420 /nfs/dbraw/zinc/50/94/20/353509420.db2.gz CPWBIODNSRZMOY-VXGBXAGGSA-N 2 2 272.393 -0.044 20 0 CBADLP CCC[C@@H]([NH3+])C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000353175207 353525005 /nfs/dbraw/zinc/52/50/05/353525005.db2.gz RQXSFXFRKKSXOA-SNVBAGLBSA-N 2 2 270.377 -0.478 20 0 CBADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@H]([NH3+])COC)CC1 ZINC000354074518 353542472 /nfs/dbraw/zinc/54/24/72/353542472.db2.gz VMQNDKSDNNXUOJ-CHWSQXEVSA-N 2 2 286.420 -0.650 20 0 CBADLP CC[N@H+]1CCN(C[C@H](O)C[NH+]2CCOCC2)[C@H](C)C1 ZINC000352690870 353501891 /nfs/dbraw/zinc/50/18/91/353501891.db2.gz FWQFGCMRZDUBNY-ZIAGYGMSSA-N 2 2 271.405 -0.295 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC000354662735 353575987 /nfs/dbraw/zinc/57/59/87/353575987.db2.gz PBBSNGCWYDJYTR-UHFFFAOYSA-N 2 2 284.404 -0.393 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)C[N@H+](C)C(C)C)CC1 ZINC000354662735 353575990 /nfs/dbraw/zinc/57/59/90/353575990.db2.gz PBBSNGCWYDJYTR-UHFFFAOYSA-N 2 2 284.404 -0.393 20 0 CBADLP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NCCn1cc[nH+]c1 ZINC000354703343 353579555 /nfs/dbraw/zinc/57/95/55/353579555.db2.gz CTWMTNMWRQRPNI-NSHDSACASA-N 2 2 279.344 -0.742 20 0 CBADLP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000354427685 353560330 /nfs/dbraw/zinc/56/03/30/353560330.db2.gz UOMDOTLTYGJCNO-KGLIPLIRSA-N 2 2 298.431 -0.541 20 0 CBADLP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000354427685 353560332 /nfs/dbraw/zinc/56/03/32/353560332.db2.gz UOMDOTLTYGJCNO-KGLIPLIRSA-N 2 2 298.431 -0.541 20 0 CBADLP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000354427685 353560335 /nfs/dbraw/zinc/56/03/35/353560335.db2.gz UOMDOTLTYGJCNO-KGLIPLIRSA-N 2 2 298.431 -0.541 20 0 CBADLP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000354427685 353560337 /nfs/dbraw/zinc/56/03/37/353560337.db2.gz UOMDOTLTYGJCNO-KGLIPLIRSA-N 2 2 298.431 -0.541 20 0 CBADLP COCC[NH+]1CCC([NH2+]C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC000358249492 353633523 /nfs/dbraw/zinc/63/35/23/353633523.db2.gz KFROIRBJNYCUAZ-AWEZNQCLSA-N 3 2 271.405 -0.247 20 0 CBADLP COCC[NH+]1CCC([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC000358249492 353633526 /nfs/dbraw/zinc/63/35/26/353633526.db2.gz KFROIRBJNYCUAZ-AWEZNQCLSA-N 3 2 271.405 -0.247 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@H]2C[NH+](C)CCO2)C[C@H](C)[N@H+]1C ZINC000358704889 353650988 /nfs/dbraw/zinc/65/09/88/353650988.db2.gz ATDXCARBELOCSC-TUAOUCFPSA-N 2 2 255.362 -0.132 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@H]2C[NH+](C)CCO2)C[C@H](C)[N@@H+]1C ZINC000358704889 353650991 /nfs/dbraw/zinc/65/09/91/353650991.db2.gz ATDXCARBELOCSC-TUAOUCFPSA-N 2 2 255.362 -0.132 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H](C)[NH+]1C ZINC000358704889 353650993 /nfs/dbraw/zinc/65/09/93/353650993.db2.gz ATDXCARBELOCSC-TUAOUCFPSA-N 2 2 255.362 -0.132 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H](C)[NH+]1C ZINC000358704889 353650995 /nfs/dbraw/zinc/65/09/95/353650995.db2.gz ATDXCARBELOCSC-TUAOUCFPSA-N 2 2 255.362 -0.132 20 0 CBADLP C[C@@H]1CN(C(=O)[C@H]2C[NH+](C)CCO2)C[C@H](C)[N@H+]1C ZINC000358704883 353651069 /nfs/dbraw/zinc/65/10/69/353651069.db2.gz ATDXCARBELOCSC-GRYCIOLGSA-N 2 2 255.362 -0.132 20 0 CBADLP C[C@@H]1CN(C(=O)[C@H]2C[NH+](C)CCO2)C[C@H](C)[N@@H+]1C ZINC000358704883 353651072 /nfs/dbraw/zinc/65/10/72/353651072.db2.gz ATDXCARBELOCSC-GRYCIOLGSA-N 2 2 255.362 -0.132 20 0 CBADLP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H](C)[NH+]1C ZINC000358704883 353651073 /nfs/dbraw/zinc/65/10/73/353651073.db2.gz ATDXCARBELOCSC-GRYCIOLGSA-N 2 2 255.362 -0.132 20 0 CBADLP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H](C)[NH+]1C ZINC000358704883 353651075 /nfs/dbraw/zinc/65/10/75/353651075.db2.gz ATDXCARBELOCSC-GRYCIOLGSA-N 2 2 255.362 -0.132 20 0 CBADLP CN(C)c1[nH+]cccc1CNC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000357928351 353614850 /nfs/dbraw/zinc/61/48/50/353614850.db2.gz RPRFQTSCRCWQMR-WDEREUQCSA-N 2 2 264.329 -0.513 20 0 CBADLP CN(C)c1[nH+]cccc1CNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000357928349 353614889 /nfs/dbraw/zinc/61/48/89/353614889.db2.gz RPRFQTSCRCWQMR-MNOVXSKESA-N 2 2 264.329 -0.513 20 0 CBADLP O=C(NCc1ccn2cc[nH+]c2c1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000357934578 353615565 /nfs/dbraw/zinc/61/55/65/353615565.db2.gz SSMZYYRPHRNSLS-QWRGUYRKSA-N 2 2 260.297 -0.327 20 0 CBADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000358024727 353620645 /nfs/dbraw/zinc/62/06/45/353620645.db2.gz MNMLCHPMZRHWAN-JQWIXIFHSA-N 2 2 275.418 -0.050 20 0 CBADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000358024727 353620649 /nfs/dbraw/zinc/62/06/49/353620649.db2.gz MNMLCHPMZRHWAN-JQWIXIFHSA-N 2 2 275.418 -0.050 20 0 CBADLP C[NH+](C)C[C@@](C)(O)CNC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000360488923 353657542 /nfs/dbraw/zinc/65/75/42/353657542.db2.gz FHBBXTQZIKVRRB-HZMBPMFUSA-N 2 2 295.387 -0.121 20 0 CBADLP C[NH+](C)C[C@@](C)(O)CNC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000360488923 353657544 /nfs/dbraw/zinc/65/75/44/353657544.db2.gz FHBBXTQZIKVRRB-HZMBPMFUSA-N 2 2 295.387 -0.121 20 0 CBADLP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+]([C@H]2COC[C@H]2O)CC1 ZINC000361286213 353660801 /nfs/dbraw/zinc/66/08/01/353660801.db2.gz FTMMYGDQICBDKT-QLFBSQMISA-N 2 2 283.416 -0.152 20 0 CBADLP C[N@H+]1CCCC[C@@H]1CN1CC[NH+]([C@H]2COC[C@H]2O)CC1 ZINC000361286213 353660804 /nfs/dbraw/zinc/66/08/04/353660804.db2.gz FTMMYGDQICBDKT-QLFBSQMISA-N 2 2 283.416 -0.152 20 0 CBADLP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+]([C@@H]2COC[C@H]2O)CC1 ZINC000361286215 353660995 /nfs/dbraw/zinc/66/09/95/353660995.db2.gz FTMMYGDQICBDKT-RBSFLKMASA-N 2 2 283.416 -0.152 20 0 CBADLP C[N@H+]1CCCC[C@@H]1CN1CC[NH+]([C@@H]2COC[C@H]2O)CC1 ZINC000361286215 353660997 /nfs/dbraw/zinc/66/09/97/353660997.db2.gz FTMMYGDQICBDKT-RBSFLKMASA-N 2 2 283.416 -0.152 20 0 CBADLP C[C@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)C[C@]2(CCOC2)O1 ZINC000366575709 353677776 /nfs/dbraw/zinc/67/77/76/353677776.db2.gz QYNDJPRPFRJGCS-ZFWWWQNUSA-N 2 2 297.399 -0.360 20 0 CBADLP C[C@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)C[C@]2(CCOC2)O1 ZINC000366575709 353677779 /nfs/dbraw/zinc/67/77/79/353677779.db2.gz QYNDJPRPFRJGCS-ZFWWWQNUSA-N 2 2 297.399 -0.360 20 0 CBADLP CNS(=O)(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000367212313 353681280 /nfs/dbraw/zinc/68/12/80/353681280.db2.gz QAMLYQPNHLYULZ-NSHDSACASA-N 2 2 290.433 -0.449 20 0 CBADLP CNS(=O)(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000367212313 353681282 /nfs/dbraw/zinc/68/12/82/353681282.db2.gz QAMLYQPNHLYULZ-NSHDSACASA-N 2 2 290.433 -0.449 20 0 CBADLP C[NH2+]CCCC(=O)NC[C@@]1([NH+]2CCOCC2)CCCOC1 ZINC000370776350 353691684 /nfs/dbraw/zinc/69/16/84/353691684.db2.gz ZSBNSKQLJREHIE-HNNXBMFYSA-N 2 2 299.415 -0.016 20 0 CBADLP COC(=O)CC[NH+]1CCC(N2CC[N@H+](C)CC2=O)CC1 ZINC000371647762 353704898 /nfs/dbraw/zinc/70/48/98/353704898.db2.gz UCFCXEMMDMQWLH-UHFFFAOYSA-N 2 2 283.372 -0.212 20 0 CBADLP COC(=O)CC[NH+]1CCC(N2CC[N@@H+](C)CC2=O)CC1 ZINC000371647762 353704902 /nfs/dbraw/zinc/70/49/02/353704902.db2.gz UCFCXEMMDMQWLH-UHFFFAOYSA-N 2 2 283.372 -0.212 20 0 CBADLP O=C([C@@H]1CSC[NH2+]1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000372099458 353710563 /nfs/dbraw/zinc/71/05/63/353710563.db2.gz VAMACHVMIQIOTK-QJPTWQEYSA-N 2 2 285.413 -0.294 20 0 CBADLP C[N@@H+]1CCN(C2CC[NH+](CCC3OCCO3)CC2)C(=O)C1 ZINC000372513122 353717910 /nfs/dbraw/zinc/71/79/10/353717910.db2.gz NJMBSGJGLSBOOH-UHFFFAOYSA-N 2 2 297.399 -0.012 20 0 CBADLP C[N@H+]1CCN(C2CC[NH+](CCC3OCCO3)CC2)C(=O)C1 ZINC000372513122 353717914 /nfs/dbraw/zinc/71/79/14/353717914.db2.gz NJMBSGJGLSBOOH-UHFFFAOYSA-N 2 2 297.399 -0.012 20 0 CBADLP CNC(=O)NC(=O)CC[N@@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000373135897 353726735 /nfs/dbraw/zinc/72/67/35/353726735.db2.gz BKVHQFDCPADOMD-MNOVXSKESA-N 2 2 268.361 -0.142 20 0 CBADLP CNC(=O)NC(=O)CC[N@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000373135897 353726737 /nfs/dbraw/zinc/72/67/37/353726737.db2.gz BKVHQFDCPADOMD-MNOVXSKESA-N 2 2 268.361 -0.142 20 0 CBADLP CNC(=O)NC(=O)CC[NH+]1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000373135897 353726741 /nfs/dbraw/zinc/72/67/41/353726741.db2.gz BKVHQFDCPADOMD-MNOVXSKESA-N 2 2 268.361 -0.142 20 0 CBADLP CNC(=O)NC(=O)CC[NH+]1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000373135897 353726743 /nfs/dbraw/zinc/72/67/43/353726743.db2.gz BKVHQFDCPADOMD-MNOVXSKESA-N 2 2 268.361 -0.142 20 0 CBADLP COC[C@@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)CCO1 ZINC000374796759 353749381 /nfs/dbraw/zinc/74/93/81/353749381.db2.gz VTSLCDXZRTXKPJ-ZDUSSCGKSA-N 2 2 285.388 -0.502 20 0 CBADLP COC[C@@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)CCO1 ZINC000374796759 353749382 /nfs/dbraw/zinc/74/93/82/353749382.db2.gz VTSLCDXZRTXKPJ-ZDUSSCGKSA-N 2 2 285.388 -0.502 20 0 CBADLP CC[N@H+](CCO)CCNC(=O)[C@@H]1COCC[NH+]1CC ZINC000376319191 353774280 /nfs/dbraw/zinc/77/42/80/353774280.db2.gz NZUQGBWDVLYIMT-LBPRGKRZSA-N 2 2 273.377 -0.863 20 0 CBADLP CC[N@@H+](CCO)CCNC(=O)[C@@H]1COCC[NH+]1CC ZINC000376319191 353774283 /nfs/dbraw/zinc/77/42/83/353774283.db2.gz NZUQGBWDVLYIMT-LBPRGKRZSA-N 2 2 273.377 -0.863 20 0 CBADLP CC[NH+](CCO)CCNC(=O)[C@@H]1COCC[N@H+]1CC ZINC000376319191 353774286 /nfs/dbraw/zinc/77/42/86/353774286.db2.gz NZUQGBWDVLYIMT-LBPRGKRZSA-N 2 2 273.377 -0.863 20 0 CBADLP CCC[C@@H]([NH3+])C(=O)N1CCC[N@H+](CC(=O)NC)CC1 ZINC000376822602 353775972 /nfs/dbraw/zinc/77/59/72/353775972.db2.gz KQRRSNZWROIEIO-LLVKDONJSA-N 2 2 270.377 -0.606 20 0 CBADLP CCC[C@@H]([NH3+])C(=O)N1CCC[N@@H+](CC(=O)NC)CC1 ZINC000376822602 353775974 /nfs/dbraw/zinc/77/59/74/353775974.db2.gz KQRRSNZWROIEIO-LLVKDONJSA-N 2 2 270.377 -0.606 20 0 CBADLP C[NH+](C)[C@H]1CCC[N@H+](CC(=O)N2CCNC(=O)C2)CC1 ZINC000377266681 353777898 /nfs/dbraw/zinc/77/78/98/353777898.db2.gz LYGUSJYJIFBBPB-LBPRGKRZSA-N 2 2 282.388 -0.639 20 0 CBADLP C[NH+](C)[C@H]1CCC[N@@H+](CC(=O)N2CCNC(=O)C2)CC1 ZINC000377266681 353777901 /nfs/dbraw/zinc/77/79/01/353777901.db2.gz LYGUSJYJIFBBPB-LBPRGKRZSA-N 2 2 282.388 -0.639 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC(CC(N)=O)CC1 ZINC000380730516 353783440 /nfs/dbraw/zinc/78/34/40/353783440.db2.gz RVLQRVODLWBQSG-ZDUSSCGKSA-N 2 2 287.404 -0.487 20 0 CBADLP COC[C@@]1(C(=O)NCCc2[nH]cc[nH+]2)CC[NH2+]C1 ZINC000381161339 353783508 /nfs/dbraw/zinc/78/35/08/353783508.db2.gz GOEYEBNCLHTVOV-GFCCVEGCSA-N 2 2 252.318 -0.306 20 0 CBADLP CC[N@H+](CC[NH3+])CCOc1ccc(S(N)(=O)=O)cc1 ZINC000381728714 353784264 /nfs/dbraw/zinc/78/42/64/353784264.db2.gz LQILIWCZAAROGS-UHFFFAOYSA-N 2 2 287.385 -0.007 20 0 CBADLP CC[N@@H+](CC[NH3+])CCOc1ccc(S(N)(=O)=O)cc1 ZINC000381728714 353784265 /nfs/dbraw/zinc/78/42/65/353784265.db2.gz LQILIWCZAAROGS-UHFFFAOYSA-N 2 2 287.385 -0.007 20 0 CBADLP CC[N@@H+]1CCO[C@H](CN2CC[NH+](CC(=O)N(C)C)CC2)C1 ZINC000373965175 353738467 /nfs/dbraw/zinc/73/84/67/353738467.db2.gz OIIHEJSEKGBONR-AWEZNQCLSA-N 2 2 298.431 -0.587 20 0 CBADLP CC[N@H+]1CCO[C@H](CN2CC[NH+](CC(=O)N(C)C)CC2)C1 ZINC000373965175 353738470 /nfs/dbraw/zinc/73/84/70/353738470.db2.gz OIIHEJSEKGBONR-AWEZNQCLSA-N 2 2 298.431 -0.587 20 0 CBADLP C[C@@H]1CN(Cc2nnnn2C)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000374619948 353747758 /nfs/dbraw/zinc/74/77/58/353747758.db2.gz FEVWBFYJFVNUHM-GFCCVEGCSA-N 2 2 293.419 -0.190 20 0 CBADLP C[C@@H]1CN(Cc2nnnn2C)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000374619948 353747761 /nfs/dbraw/zinc/74/77/61/353747761.db2.gz FEVWBFYJFVNUHM-GFCCVEGCSA-N 2 2 293.419 -0.190 20 0 CBADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1CCN(S(C)(=O)=O)C1 ZINC000400145322 353799207 /nfs/dbraw/zinc/79/92/07/353799207.db2.gz NIQNMTZDXGBHPL-GRYCIOLGSA-N 2 2 291.417 -0.623 20 0 CBADLP CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000408032311 353830421 /nfs/dbraw/zinc/83/04/21/353830421.db2.gz UXPBDZIXKSZIEH-NSHDSACASA-N 2 2 263.345 -0.242 20 0 CBADLP CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000408032311 353830423 /nfs/dbraw/zinc/83/04/23/353830423.db2.gz UXPBDZIXKSZIEH-NSHDSACASA-N 2 2 263.345 -0.242 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@@](C)(C(N)=O)C(C)C ZINC000388609891 353789949 /nfs/dbraw/zinc/78/99/49/353789949.db2.gz QPPUQKIMKQWCMN-WCQYABFASA-N 2 2 275.393 -0.585 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@@](C)(C(N)=O)C(C)C ZINC000388609891 353789950 /nfs/dbraw/zinc/78/99/50/353789950.db2.gz QPPUQKIMKQWCMN-WCQYABFASA-N 2 2 275.393 -0.585 20 0 CBADLP CC[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000408110671 353850926 /nfs/dbraw/zinc/85/09/26/353850926.db2.gz TZNOPWJNDSRDGG-STQMWFEESA-N 2 2 285.388 -0.768 20 0 CBADLP CC[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000408110671 353850929 /nfs/dbraw/zinc/85/09/29/353850929.db2.gz TZNOPWJNDSRDGG-STQMWFEESA-N 2 2 285.388 -0.768 20 0 CBADLP CC[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000408110669 353850975 /nfs/dbraw/zinc/85/09/75/353850975.db2.gz TZNOPWJNDSRDGG-OLZOCXBDSA-N 2 2 285.388 -0.768 20 0 CBADLP CC[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000408110669 353850977 /nfs/dbraw/zinc/85/09/77/353850977.db2.gz TZNOPWJNDSRDGG-OLZOCXBDSA-N 2 2 285.388 -0.768 20 0 CBADLP C[C@H](C(=O)N1CC[NH+](C[C@H](C)O)CC1)N1CC[NH+](C)CC1 ZINC000408376138 353907666 /nfs/dbraw/zinc/90/76/66/353907666.db2.gz RJSXQCJDJRYLRP-UONOGXRCSA-N 2 2 298.431 -0.853 20 0 CBADLP CC(C)[NH+]1CCC(NC(=O)C[NH+]2C[C@@H](O)[C@H](O)C2)CC1 ZINC000408443675 353920270 /nfs/dbraw/zinc/92/02/70/353920270.db2.gz QRSUTWHCGRFZMH-CHWSQXEVSA-N 2 2 285.388 -0.987 20 0 CBADLP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](C)CC2)C1 ZINC000410466766 353929222 /nfs/dbraw/zinc/92/92/22/353929222.db2.gz JGYUYSZGESURHP-GFCCVEGCSA-N 2 2 282.388 -0.687 20 0 CBADLP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000410732004 353936363 /nfs/dbraw/zinc/93/63/63/353936363.db2.gz RDDVDZXRHZWPGL-ZDUSSCGKSA-N 2 2 296.415 -0.441 20 0 CBADLP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C)CC2)CC[N@H+]1C ZINC000410732004 353936364 /nfs/dbraw/zinc/93/63/64/353936364.db2.gz RDDVDZXRHZWPGL-ZDUSSCGKSA-N 2 2 296.415 -0.441 20 0 CBADLP Cn1ncc2c1CCC[N@H+](CC(=O)N1CC[NH+](C)CC1)C2 ZINC000411842845 353941350 /nfs/dbraw/zinc/94/13/50/353941350.db2.gz JPZCFWHBRLUVHC-UHFFFAOYSA-N 2 2 291.399 -0.058 20 0 CBADLP Cn1ncc2c1CCC[N@@H+](CC(=O)N1CC[NH+](C)CC1)C2 ZINC000411842845 353941352 /nfs/dbraw/zinc/94/13/52/353941352.db2.gz JPZCFWHBRLUVHC-UHFFFAOYSA-N 2 2 291.399 -0.058 20 0 CBADLP COCC(COC)[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000412439897 353947161 /nfs/dbraw/zinc/94/71/61/353947161.db2.gz YLRPQZUZYTXZJV-UHFFFAOYSA-N 2 2 273.377 -0.646 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CCC[C@]2(C)CO)CC1 ZINC000408364392 353903765 /nfs/dbraw/zinc/90/37/65/353903765.db2.gz KRBQWGCATVRXND-GXTWGEPZSA-N 2 2 269.389 -0.099 20 0 CBADLP Cc1cc(NC(=O)NCCN2CC[NH2+]CC2)cc[nH+]1 ZINC000415390099 353964213 /nfs/dbraw/zinc/96/42/13/353964213.db2.gz GAWNRVJPENKNLJ-UHFFFAOYSA-N 2 2 263.345 -0.161 20 0 CBADLP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC000416285402 353966614 /nfs/dbraw/zinc/96/66/14/353966614.db2.gz CBVBCXHPQFUZBN-JHJVBQTASA-N 2 2 285.388 -0.770 20 0 CBADLP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC000416285402 353966615 /nfs/dbraw/zinc/96/66/15/353966615.db2.gz CBVBCXHPQFUZBN-JHJVBQTASA-N 2 2 285.388 -0.770 20 0 CBADLP C[C@@H]1C[NH+](CCO)[C@H](C)CN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000416285402 353966616 /nfs/dbraw/zinc/96/66/16/353966616.db2.gz CBVBCXHPQFUZBN-JHJVBQTASA-N 2 2 285.388 -0.770 20 0 CBADLP C[C@@H]1C[NH+](CCO)[C@H](C)CN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000416285402 353966617 /nfs/dbraw/zinc/96/66/17/353966617.db2.gz CBVBCXHPQFUZBN-JHJVBQTASA-N 2 2 285.388 -0.770 20 0 CBADLP [NH3+]C[C@H]1CCCCN1C(=O)NCC[NH+]1CCOCC1 ZINC000416433905 353968785 /nfs/dbraw/zinc/96/87/85/353968785.db2.gz RMFLLAJCQBCZPN-GFCCVEGCSA-N 2 2 270.377 -0.159 20 0 CBADLP C[NH2+]C[C@H]1CCCN1C(=O)NCC[NH+]1CCOCC1 ZINC000416431518 353968913 /nfs/dbraw/zinc/96/89/13/353968913.db2.gz IDLVQXDOWSFZEL-GFCCVEGCSA-N 2 2 270.377 -0.288 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NC(C)(C)C[NH3+] ZINC000417033593 353975406 /nfs/dbraw/zinc/97/54/06/353975406.db2.gz QNXWEJMEICHURG-JTQLQIEISA-N 2 2 258.366 -0.256 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H](CC[NH3+])C(F)F ZINC000417040783 353975453 /nfs/dbraw/zinc/97/54/53/353975453.db2.gz VWUSRBVPGKMXEI-NXEZZACHSA-N 2 2 294.346 -0.011 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H](C[NH3+])C1CC1 ZINC000417023579 353975588 /nfs/dbraw/zinc/97/55/88/353975588.db2.gz JZRSHDKXRUAVJG-ZYHUDNBSSA-N 2 2 270.377 -0.256 20 0 CBADLP CC1(C)C[N@H+](CCNC(=O)N2CC[C@H]([NH3+])C2)CCO1 ZINC000417431012 353977886 /nfs/dbraw/zinc/97/78/86/353977886.db2.gz ZAPWNWGJANTOQO-NSHDSACASA-N 2 2 270.377 -0.160 20 0 CBADLP CC1(C)C[N@@H+](CCNC(=O)N2CC[C@H]([NH3+])C2)CCO1 ZINC000417431012 353977888 /nfs/dbraw/zinc/97/78/88/353977888.db2.gz ZAPWNWGJANTOQO-NSHDSACASA-N 2 2 270.377 -0.160 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCC[NH2+]CC1 ZINC000417504080 353978602 /nfs/dbraw/zinc/97/86/02/353978602.db2.gz FHHNBMGZVQZSAX-GFCCVEGCSA-N 2 2 270.377 -0.288 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCC[NH2+]CC1 ZINC000417504080 353978605 /nfs/dbraw/zinc/97/86/05/353978605.db2.gz FHHNBMGZVQZSAX-GFCCVEGCSA-N 2 2 270.377 -0.288 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NCC1([NH3+])CCC1 ZINC000417529737 353978688 /nfs/dbraw/zinc/97/86/88/353978688.db2.gz RHHYXHIPAYSNJU-LLVKDONJSA-N 2 2 270.377 -0.112 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NCC1([NH3+])CCC1 ZINC000417529737 353978692 /nfs/dbraw/zinc/97/86/92/353978692.db2.gz RHHYXHIPAYSNJU-LLVKDONJSA-N 2 2 270.377 -0.112 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000417533737 353979727 /nfs/dbraw/zinc/97/97/27/353979727.db2.gz YEUYVTAGDDJNFQ-JQWIXIFHSA-N 2 2 270.377 -0.256 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000417533737 353979729 /nfs/dbraw/zinc/97/97/29/353979729.db2.gz YEUYVTAGDDJNFQ-JQWIXIFHSA-N 2 2 270.377 -0.256 20 0 CBADLP C[NH2+]C[C@H](C)CNC(=O)N(C)CC[NH+]1CCOCC1 ZINC000418361160 353995222 /nfs/dbraw/zinc/99/52/22/353995222.db2.gz AINILKGFLATWHW-LBPRGKRZSA-N 2 2 272.393 -0.185 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)NC(C)(C)C[NH+]2CCOCC2)C1 ZINC000413952653 353961631 /nfs/dbraw/zinc/96/16/31/353961631.db2.gz DTTRGCHCKVDTPK-CYBMUJFWSA-N 2 2 299.415 -0.066 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)NC(C)(C)C[NH+]2CCOCC2)C1 ZINC000413952653 353961634 /nfs/dbraw/zinc/96/16/34/353961634.db2.gz DTTRGCHCKVDTPK-CYBMUJFWSA-N 2 2 299.415 -0.066 20 0 CBADLP [NH3+]CCC[N@@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000414744847 353963274 /nfs/dbraw/zinc/96/32/74/353963274.db2.gz QGRJJNWYSRTCRS-GFCCVEGCSA-N 2 2 291.417 -0.538 20 0 CBADLP [NH3+]CCC[N@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000414744847 353963277 /nfs/dbraw/zinc/96/32/77/353963277.db2.gz QGRJJNWYSRTCRS-GFCCVEGCSA-N 2 2 291.417 -0.538 20 0 CBADLP CC[C@@H]1C[N@H+](CCNC(=O)NC[C@@H](C)C[NH3+])CCO1 ZINC000418479399 353998695 /nfs/dbraw/zinc/99/86/95/353998695.db2.gz YRVGQBYQHZQHDV-NWDGAFQWSA-N 2 2 272.393 -0.009 20 0 CBADLP CC[C@@H]1C[N@@H+](CCNC(=O)NC[C@@H](C)C[NH3+])CCO1 ZINC000418479399 353998698 /nfs/dbraw/zinc/99/86/98/353998698.db2.gz YRVGQBYQHZQHDV-NWDGAFQWSA-N 2 2 272.393 -0.009 20 0 CBADLP CCC[NH2+]CCNC(=O)N(C)CC[NH+]1CCOCC1 ZINC000418480768 353998810 /nfs/dbraw/zinc/99/88/10/353998810.db2.gz RMJCRVZQTYWSDN-UHFFFAOYSA-N 2 2 272.393 -0.040 20 0 CBADLP C[C@H](O)C[NH+]1CCN(C(=O)NCC(F)(F)C[NH3+])CC1 ZINC000418525220 354001050 /nfs/dbraw/zinc/00/10/50/354001050.db2.gz OOOLDUMIVWUZIE-VIFPVBQESA-N 2 2 280.319 -0.712 20 0 CBADLP C[C@@H]1CN(C(=O)C(=O)NCCn2cc[nH+]c2)[C@H](C)C[NH2+]1 ZINC000418894437 354014937 /nfs/dbraw/zinc/01/49/37/354014937.db2.gz ZEUANFZTTFESPW-GHMZBOCLSA-N 2 2 279.344 -0.792 20 0 CBADLP [NH3+]CCNC(=O)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000419810981 354079101 /nfs/dbraw/zinc/07/91/01/354079101.db2.gz BUZQZJGAKDECBW-UHFFFAOYSA-N 2 2 296.396 -0.533 20 0 CBADLP CC[NH2+]CCNC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000419890335 354090066 /nfs/dbraw/zinc/09/00/66/354090066.db2.gz MCHLLAORALDKPC-UHFFFAOYSA-N 2 2 268.361 -0.981 20 0 CBADLP CN1CCN(c2cc(NCC(C)(C)[NH3+])nc[nH+]2)CC1=O ZINC000420191763 354118007 /nfs/dbraw/zinc/11/80/07/354118007.db2.gz AFVRVEGLINJBAP-UHFFFAOYSA-N 2 2 278.360 -0.096 20 0 CBADLP CN1CCN(c2cc(NCCCC[NH3+])[nH+]cn2)CC1=O ZINC000420228398 354119084 /nfs/dbraw/zinc/11/90/84/354119084.db2.gz FEAGEGQWCPHTFZ-UHFFFAOYSA-N 2 2 278.360 -0.094 20 0 CBADLP CN1CCN(c2cc(NCCCC[NH3+])nc[nH+]2)CC1=O ZINC000420228398 354119085 /nfs/dbraw/zinc/11/90/85/354119085.db2.gz FEAGEGQWCPHTFZ-UHFFFAOYSA-N 2 2 278.360 -0.094 20 0 CBADLP NC(=O)[C@H]1Cc2ccccc2C[N@@H+]1CCN1CC[NH2+]CC1 ZINC000420302969 354121436 /nfs/dbraw/zinc/12/14/36/354121436.db2.gz KDTCTOGRAAMGRN-OAHLLOKOSA-N 2 2 288.395 -0.196 20 0 CBADLP NC(=O)[C@H]1Cc2ccccc2C[N@H+]1CCN1CC[NH2+]CC1 ZINC000420302969 354121440 /nfs/dbraw/zinc/12/14/40/354121440.db2.gz KDTCTOGRAAMGRN-OAHLLOKOSA-N 2 2 288.395 -0.196 20 0 CBADLP C[NH2+][C@H]1CCC[N@H+](CCC(=O)N(C)CC(=O)OC)C1 ZINC000420285727 354121888 /nfs/dbraw/zinc/12/18/88/354121888.db2.gz DTYBTGGFKXKUKY-NSHDSACASA-N 2 2 271.361 -0.308 20 0 CBADLP C[NH2+][C@H]1CCC[N@@H+](CCC(=O)N(C)CC(=O)OC)C1 ZINC000420285727 354121889 /nfs/dbraw/zinc/12/18/89/354121889.db2.gz DTYBTGGFKXKUKY-NSHDSACASA-N 2 2 271.361 -0.308 20 0 CBADLP NC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1CCN1CC[NH2+]CC1 ZINC000420302967 354121895 /nfs/dbraw/zinc/12/18/95/354121895.db2.gz KDTCTOGRAAMGRN-HNNXBMFYSA-N 2 2 288.395 -0.196 20 0 CBADLP NC(=O)[C@@H]1Cc2ccccc2C[N@H+]1CCN1CC[NH2+]CC1 ZINC000420302967 354121896 /nfs/dbraw/zinc/12/18/96/354121896.db2.gz KDTCTOGRAAMGRN-HNNXBMFYSA-N 2 2 288.395 -0.196 20 0 CBADLP C[NH2+]C[C@@H]1CCC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000420289676 354121903 /nfs/dbraw/zinc/12/19/03/354121903.db2.gz KSKTUAIRZDJYEJ-ZDUSSCGKSA-N 3 2 268.405 -0.166 20 0 CBADLP C[NH2+]C[C@@H]1CCC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000420289676 354121904 /nfs/dbraw/zinc/12/19/04/354121904.db2.gz KSKTUAIRZDJYEJ-ZDUSSCGKSA-N 3 2 268.405 -0.166 20 0 CBADLP COC(=O)C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000420298101 354121957 /nfs/dbraw/zinc/12/19/57/354121957.db2.gz RSHGXPRTRKZGAH-NSHDSACASA-N 2 2 269.345 -0.697 20 0 CBADLP COC(=O)C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000420298101 354121958 /nfs/dbraw/zinc/12/19/58/354121958.db2.gz RSHGXPRTRKZGAH-NSHDSACASA-N 2 2 269.345 -0.697 20 0 CBADLP CCOC(=O)C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000420282611 354121975 /nfs/dbraw/zinc/12/19/75/354121975.db2.gz BSMWMVFUBYKLRG-LBPRGKRZSA-N 2 2 283.372 -0.307 20 0 CBADLP CCOC(=O)C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000420282611 354121976 /nfs/dbraw/zinc/12/19/76/354121976.db2.gz BSMWMVFUBYKLRG-LBPRGKRZSA-N 2 2 283.372 -0.307 20 0 CBADLP C[C@@H]1CN(CC[N@H+](C)CC(=O)N2CC[NH2+]CC2)CCO1 ZINC000420287954 354122022 /nfs/dbraw/zinc/12/20/22/354122022.db2.gz GTTBRYVNHINECI-CYBMUJFWSA-N 2 2 284.404 -0.929 20 0 CBADLP C[C@@H]1CN(CC[N@@H+](C)CC(=O)N2CC[NH2+]CC2)CCO1 ZINC000420287954 354122023 /nfs/dbraw/zinc/12/20/23/354122023.db2.gz GTTBRYVNHINECI-CYBMUJFWSA-N 2 2 284.404 -0.929 20 0 CBADLP C[C@@H]1C[N@H+](CCN(C)CC(=O)N2CC[NH2+]CC2)CCO1 ZINC000420287954 354122024 /nfs/dbraw/zinc/12/20/24/354122024.db2.gz GTTBRYVNHINECI-CYBMUJFWSA-N 2 2 284.404 -0.929 20 0 CBADLP C[C@@H]1C[N@@H+](CCN(C)CC(=O)N2CC[NH2+]CC2)CCO1 ZINC000420287954 354122025 /nfs/dbraw/zinc/12/20/25/354122025.db2.gz GTTBRYVNHINECI-CYBMUJFWSA-N 2 2 284.404 -0.929 20 0 CBADLP C[N@H+](CC(=O)N1CCN(C(=O)C2CC2)CC1)C1CC([NH3+])C1 ZINC000420335235 354124520 /nfs/dbraw/zinc/12/45/20/354124520.db2.gz PLSDWSUMAVZWNK-UHFFFAOYSA-N 2 2 294.399 -0.511 20 0 CBADLP C[N@@H+](CC(=O)N1CCN(C(=O)C2CC2)CC1)C1CC([NH3+])C1 ZINC000420335235 354124522 /nfs/dbraw/zinc/12/45/22/354124522.db2.gz PLSDWSUMAVZWNK-UHFFFAOYSA-N 2 2 294.399 -0.511 20 0 CBADLP CCOC(=O)C[N@H+](CCOC)CCN1CC[NH2+]CC1 ZINC000420359457 354124976 /nfs/dbraw/zinc/12/49/76/354124976.db2.gz KPKLCYQOHAQMBK-UHFFFAOYSA-N 2 2 273.377 -0.597 20 0 CBADLP CCOC(=O)C[N@@H+](CCOC)CCN1CC[NH2+]CC1 ZINC000420359457 354124981 /nfs/dbraw/zinc/12/49/81/354124981.db2.gz KPKLCYQOHAQMBK-UHFFFAOYSA-N 2 2 273.377 -0.597 20 0 CBADLP C[C@H](C(=O)NCCc1ccccc1)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420354144 354125349 /nfs/dbraw/zinc/12/53/49/354125349.db2.gz OGDQZDXXOYZNHT-OCCSQVGLSA-N 2 2 279.384 -0.015 20 0 CBADLP C[C@H](C(=O)NCCc1ccccc1)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420354144 354125350 /nfs/dbraw/zinc/12/53/50/354125350.db2.gz OGDQZDXXOYZNHT-OCCSQVGLSA-N 2 2 279.384 -0.015 20 0 CBADLP CCOC(=O)C[N@H+](CCC(=O)N1CC[NH2+]CC1)C1CC1 ZINC000420355354 354125357 /nfs/dbraw/zinc/12/53/57/354125357.db2.gz FIOLDKNLDTWQDE-UHFFFAOYSA-N 2 2 283.372 -0.164 20 0 CBADLP CCOC(=O)C[N@@H+](CCC(=O)N1CC[NH2+]CC1)C1CC1 ZINC000420355354 354125359 /nfs/dbraw/zinc/12/53/59/354125359.db2.gz FIOLDKNLDTWQDE-UHFFFAOYSA-N 2 2 283.372 -0.164 20 0 CBADLP CCS(=O)(=O)NCC[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000420373581 354126300 /nfs/dbraw/zinc/12/63/00/354126300.db2.gz RJRCMSRABHYEDD-GARJFASQSA-N 2 2 263.407 -0.098 20 0 CBADLP C[NH+]1CCN(C(=O)CCN2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC000420400624 354127168 /nfs/dbraw/zinc/12/71/68/354127168.db2.gz PCLYZZJSKAEXFF-OKILXGFUSA-N 2 2 280.416 -0.023 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@H+]2C[C@H]3CCC[C@@H](C2)N3)CC1 ZINC000420400624 354127173 /nfs/dbraw/zinc/12/71/73/354127173.db2.gz PCLYZZJSKAEXFF-OKILXGFUSA-N 2 2 280.416 -0.023 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@@H+]2C[C@H]3CCC[C@@H](C2)N3)CC1 ZINC000420400624 354127177 /nfs/dbraw/zinc/12/71/77/354127177.db2.gz PCLYZZJSKAEXFF-OKILXGFUSA-N 2 2 280.416 -0.023 20 0 CBADLP CCCCOCCNC(=O)C[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000420383195 354127232 /nfs/dbraw/zinc/12/72/32/354127232.db2.gz FFUDGYXZBOEWEG-ZDUSSCGKSA-N 2 2 287.404 -0.031 20 0 CBADLP CCCCOCCNC(=O)C[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000420383195 354127234 /nfs/dbraw/zinc/12/72/34/354127234.db2.gz FFUDGYXZBOEWEG-ZDUSSCGKSA-N 2 2 287.404 -0.031 20 0 CBADLP COC(=O)C[C@H]([NH3+])C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000423355285 354170941 /nfs/dbraw/zinc/17/09/41/354170941.db2.gz HUZVWZCHMUOGCG-MNOVXSKESA-N 2 2 269.345 -0.427 20 0 CBADLP COC(=O)C[C@H]([NH3+])C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000423355285 354170943 /nfs/dbraw/zinc/17/09/43/354170943.db2.gz HUZVWZCHMUOGCG-MNOVXSKESA-N 2 2 269.345 -0.427 20 0 CBADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[NH2+][C@H](C)C2)C[C@H]1C ZINC000423365428 354172520 /nfs/dbraw/zinc/17/25/20/354172520.db2.gz BFGZIYWVQLZRFH-UPJWGTAASA-N 2 2 296.415 -0.252 20 0 CBADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[NH2+][C@H](C)C2)C[C@H]1C ZINC000423365428 354172522 /nfs/dbraw/zinc/17/25/22/354172522.db2.gz BFGZIYWVQLZRFH-UPJWGTAASA-N 2 2 296.415 -0.252 20 0 CBADLP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[NH2+]CC2)CC[N@@H+]1C ZINC000423370448 354172557 /nfs/dbraw/zinc/17/25/57/354172557.db2.gz DLDIULYOLYXGNA-LBPRGKRZSA-N 2 2 282.388 -0.783 20 0 CBADLP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[NH2+]CC2)CC[N@H+]1C ZINC000423370448 354172559 /nfs/dbraw/zinc/17/25/59/354172559.db2.gz DLDIULYOLYXGNA-LBPRGKRZSA-N 2 2 282.388 -0.783 20 0 CBADLP COCC[N@@H+]1CCN(C(=O)[C@]23C[C@H]2CC[NH2+]3)C[C@H]1C ZINC000423387542 354173501 /nfs/dbraw/zinc/17/35/01/354173501.db2.gz MCTWAGNJTXKYLS-BZPMIXESSA-N 2 2 267.373 -0.083 20 0 CBADLP COCC[N@H+]1CCN(C(=O)[C@]23C[C@H]2CC[NH2+]3)C[C@H]1C ZINC000423387542 354173505 /nfs/dbraw/zinc/17/35/05/354173505.db2.gz MCTWAGNJTXKYLS-BZPMIXESSA-N 2 2 267.373 -0.083 20 0 CBADLP CC1(C(=O)NCC[N@@H+]2CCOCC2(C)C)C[NH2+]C1 ZINC000423386178 354173757 /nfs/dbraw/zinc/17/37/57/354173757.db2.gz RLJAUNJAHXDCRV-UHFFFAOYSA-N 2 2 255.362 -0.177 20 0 CBADLP CC1(C(=O)NCC[N@H+]2CCOCC2(C)C)C[NH2+]C1 ZINC000423386178 354173758 /nfs/dbraw/zinc/17/37/58/354173758.db2.gz RLJAUNJAHXDCRV-UHFFFAOYSA-N 2 2 255.362 -0.177 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000423447878 354176833 /nfs/dbraw/zinc/17/68/33/354176833.db2.gz AONVEYBTWKEYHM-CYBMUJFWSA-N 2 2 296.415 -0.204 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000423447878 354176835 /nfs/dbraw/zinc/17/68/35/354176835.db2.gz AONVEYBTWKEYHM-CYBMUJFWSA-N 2 2 296.415 -0.204 20 0 CBADLP C[C@@H]1C[C@H](C)[N@H+](CC(=O)N2CCNC(=O)C2)C[C@H]1C[NH3+] ZINC000422637809 354150411 /nfs/dbraw/zinc/15/04/11/354150411.db2.gz PHTHCNURAKLXHT-GRYCIOLGSA-N 2 2 282.388 -0.750 20 0 CBADLP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)N2CCNC(=O)C2)C[C@H]1C[NH3+] ZINC000422637809 354150413 /nfs/dbraw/zinc/15/04/13/354150413.db2.gz PHTHCNURAKLXHT-GRYCIOLGSA-N 2 2 282.388 -0.750 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000422751005 354152676 /nfs/dbraw/zinc/15/26/76/354152676.db2.gz ATWNWOOFZUOSPY-GFCCVEGCSA-N 2 2 284.404 -0.217 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000422751005 354152679 /nfs/dbraw/zinc/15/26/79/354152679.db2.gz ATWNWOOFZUOSPY-GFCCVEGCSA-N 2 2 284.404 -0.217 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000422980368 354159325 /nfs/dbraw/zinc/15/93/25/354159325.db2.gz PCVXRONPDWUBBN-RYUDHWBXSA-N 2 2 282.388 -0.654 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000422981253 354159360 /nfs/dbraw/zinc/15/93/60/354159360.db2.gz SKCJMHRQLMVHPM-OLZOCXBDSA-N 2 2 296.415 -0.264 20 0 CBADLP CN(CC[NH3+])C(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000422985421 354159505 /nfs/dbraw/zinc/15/95/05/354159505.db2.gz DRTIQGHUSJJBNH-UHFFFAOYSA-N 2 2 291.355 -0.853 20 0 CBADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCNC(=O)c1ccn[nH]1 ZINC000423040410 354160365 /nfs/dbraw/zinc/16/03/65/354160365.db2.gz GZTGCLOFWYZOIA-ONGXEEELSA-N 2 2 251.334 -0.273 20 0 CBADLP C[C@H]([NH2+]CCNC(=O)c1ccn[nH]1)[C@H]1CCC[NH2+]1 ZINC000423047411 354160685 /nfs/dbraw/zinc/16/06/85/354160685.db2.gz VEFCPVPNUXVTNJ-VHSXEESVSA-N 2 2 251.334 -0.130 20 0 CBADLP [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC000423065044 354161530 /nfs/dbraw/zinc/16/15/30/354161530.db2.gz AUPXYVBJZXSKDY-LLVKDONJSA-N 2 2 280.372 -0.757 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)CC1 ZINC000423623836 354185449 /nfs/dbraw/zinc/18/54/49/354185449.db2.gz CICBSZIABABGSN-NWDGAFQWSA-N 2 2 282.388 -0.641 20 0 CBADLP C[C@@H]1CN(C(=O)C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)C[C@H](C)[N@@H+]1C ZINC000423634291 354187713 /nfs/dbraw/zinc/18/77/13/354187713.db2.gz QMJJOZTUZNVHJG-ZDEQEGDKSA-N 2 2 296.415 -0.254 20 0 CBADLP C[C@@H]1CN(C(=O)C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)C[C@H](C)[N@H+]1C ZINC000423634291 354187717 /nfs/dbraw/zinc/18/77/17/354187717.db2.gz QMJJOZTUZNVHJG-ZDEQEGDKSA-N 2 2 296.415 -0.254 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2C[C@H](C[NH3+])C[C@H]2C)CC1 ZINC000423667381 354189985 /nfs/dbraw/zinc/18/99/85/354189985.db2.gz JJEPADHDAHYNLN-NEPJUHHUSA-N 2 2 282.388 -0.654 20 0 CBADLP O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000423663395 354190405 /nfs/dbraw/zinc/19/04/05/354190405.db2.gz GCZFJEPMTWFHBI-YUTCNCBUSA-N 2 2 297.399 -0.674 20 0 CBADLP O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000423663395 354190407 /nfs/dbraw/zinc/19/04/07/354190407.db2.gz GCZFJEPMTWFHBI-YUTCNCBUSA-N 2 2 297.399 -0.674 20 0 CBADLP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N2CC[NH2+][C@H](C)C2)CC1 ZINC000423682746 354191196 /nfs/dbraw/zinc/19/11/96/354191196.db2.gz PCCBGCLFMWKZCS-CHWSQXEVSA-N 2 2 296.415 -0.251 20 0 CBADLP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000423701790 354192703 /nfs/dbraw/zinc/19/27/03/354192703.db2.gz AIEBRLWEGWEDAI-GFCCVEGCSA-N 2 2 282.388 -0.639 20 0 CBADLP COC[C@H]([NH3+])C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000423760181 354198091 /nfs/dbraw/zinc/19/80/91/354198091.db2.gz JIPFXUYSAPBSLL-TUAOUCFPSA-N 2 2 273.377 -0.472 20 0 CBADLP COC[C@H]([NH3+])C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000423760181 354198095 /nfs/dbraw/zinc/19/80/95/354198095.db2.gz JIPFXUYSAPBSLL-TUAOUCFPSA-N 2 2 273.377 -0.472 20 0 CBADLP COC(=O)CN(CC[NH+]1CCOCC1)C(=O)C[C@H](C)[NH3+] ZINC000423756947 354198496 /nfs/dbraw/zinc/19/84/96/354198496.db2.gz LSZKCADZFMHUKD-NSHDSACASA-N 2 2 287.360 -0.943 20 0 CBADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000423796260 354200378 /nfs/dbraw/zinc/20/03/78/354200378.db2.gz ZUQJTGFWMHJDLI-VXGBXAGGSA-N 2 2 299.371 -0.929 20 0 CBADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@H]2COCC[NH2+]2)CC1 ZINC000423786864 354200671 /nfs/dbraw/zinc/20/06/71/354200671.db2.gz QKGUOMJDWHETTN-VXGBXAGGSA-N 2 2 299.371 -0.929 20 0 CBADLP CO[C@@H](C[NH3+])CC(=O)N(CC1CC1)C[C@@H]1C[N@H+](C)CCO1 ZINC000423863050 354201458 /nfs/dbraw/zinc/20/14/58/354201458.db2.gz HDRIQRAPKKMOHK-KGLIPLIRSA-N 2 2 299.415 -0.081 20 0 CBADLP CO[C@@H](C[NH3+])CC(=O)N(CC1CC1)C[C@@H]1C[N@@H+](C)CCO1 ZINC000423863050 354201459 /nfs/dbraw/zinc/20/14/59/354201459.db2.gz HDRIQRAPKKMOHK-KGLIPLIRSA-N 2 2 299.415 -0.081 20 0 CBADLP CC[C@H]([NH3+])C(=O)N1CC[N@H+](CCC(=O)OC)C[C@H]1C ZINC000423863924 354202111 /nfs/dbraw/zinc/20/21/11/354202111.db2.gz XNFGLZMWOOELID-MNOVXSKESA-N 2 2 271.361 -0.181 20 0 CBADLP CC[C@H]([NH3+])C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@H]1C ZINC000423863924 354202113 /nfs/dbraw/zinc/20/21/13/354202113.db2.gz XNFGLZMWOOELID-MNOVXSKESA-N 2 2 271.361 -0.181 20 0 CBADLP C[C@@H](C(=O)N(C)[C@@H](C[NH3+])C1CC1)[NH+]1CCOCC1 ZINC000423965722 354206306 /nfs/dbraw/zinc/20/63/06/354206306.db2.gz YJKNTOFEFKWFMF-JQWIXIFHSA-N 2 2 255.362 -0.097 20 0 CBADLP [NH3+][C@@H]1C[C@@H]1C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000424130773 354209606 /nfs/dbraw/zinc/20/96/06/354209606.db2.gz HVFFDFNZRKRXCB-NWDGAFQWSA-N 2 2 276.340 -0.118 20 0 CBADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000424138554 354210673 /nfs/dbraw/zinc/21/06/73/354210673.db2.gz CLKWZDYLRPEMNP-UPJWGTAASA-N 2 2 294.399 -0.511 20 0 CBADLP CN(CCCn1cc[nH+]c1)C(=O)[C@@H]1COCC[NH2+]1 ZINC000424170303 354214040 /nfs/dbraw/zinc/21/40/40/354214040.db2.gz KVWAPNWAGVXMPG-NSHDSACASA-N 2 2 252.318 -0.280 20 0 CBADLP C[C@H]1CN(C(=O)[C@H]2CCC[NH+]2C)CC[N@@H+]1CCO ZINC000428140672 354245835 /nfs/dbraw/zinc/24/58/35/354245835.db2.gz GAYYOPQWEVAQLI-NWDGAFQWSA-N 2 2 255.362 -0.394 20 0 CBADLP C[C@H]1CN(C(=O)[C@H]2CCC[NH+]2C)CC[N@H+]1CCO ZINC000428140672 354245843 /nfs/dbraw/zinc/24/58/43/354245843.db2.gz GAYYOPQWEVAQLI-NWDGAFQWSA-N 2 2 255.362 -0.394 20 0 CBADLP C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CC[NH+]1CCO ZINC000428140672 354245846 /nfs/dbraw/zinc/24/58/46/354245846.db2.gz GAYYOPQWEVAQLI-NWDGAFQWSA-N 2 2 255.362 -0.394 20 0 CBADLP C[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CC[NH+]1CCO ZINC000428140672 354245848 /nfs/dbraw/zinc/24/58/48/354245848.db2.gz GAYYOPQWEVAQLI-NWDGAFQWSA-N 2 2 255.362 -0.394 20 0 CBADLP C[C@H](CNC(=O)CN1CC[NH2+]CC1=O)[N@@H+]1CCCC[C@H]1C ZINC000430766226 354250971 /nfs/dbraw/zinc/25/09/71/354250971.db2.gz WNVXYKFZGROOCX-CHWSQXEVSA-N 2 2 296.415 -0.203 20 0 CBADLP C[C@H](CNC(=O)CN1CC[NH2+]CC1=O)[N@H+]1CCCC[C@H]1C ZINC000430766226 354250974 /nfs/dbraw/zinc/25/09/74/354250974.db2.gz WNVXYKFZGROOCX-CHWSQXEVSA-N 2 2 296.415 -0.203 20 0 CBADLP Cn1c(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc(=O)n(C)c1=O ZINC000424330942 354222334 /nfs/dbraw/zinc/22/23/34/354222334.db2.gz IYMKSENWCUABHH-GHMZBOCLSA-N 2 2 266.345 -0.557 20 0 CBADLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000424337315 354222640 /nfs/dbraw/zinc/22/26/40/354222640.db2.gz RJTQBFUBWNAGJV-YVECIDJPSA-N 2 2 296.415 -0.042 20 0 CBADLP CN(C(=O)NC[C@@H]1CC[NH2+]CC1(F)F)[C@H]1C[NH2+]C[C@@H]1O ZINC000424462569 354224819 /nfs/dbraw/zinc/22/48/19/354224819.db2.gz FJKLAYRGMNNGPS-GUBZILKMSA-N 2 2 292.330 -0.795 20 0 CBADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000424471904 354225301 /nfs/dbraw/zinc/22/53/01/354225301.db2.gz TZTMIHLVOKPIIJ-AXTSPUMRSA-N 2 2 274.315 -0.252 20 0 CBADLP COCC(C)(C)[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000424995919 354233132 /nfs/dbraw/zinc/23/31/32/354233132.db2.gz CISABBUMXAFPJB-ZDUSSCGKSA-N 2 2 299.415 -0.114 20 0 CBADLP COCC(C)(C)[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000424995919 354233134 /nfs/dbraw/zinc/23/31/34/354233134.db2.gz CISABBUMXAFPJB-ZDUSSCGKSA-N 2 2 299.415 -0.114 20 0 CBADLP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CC[NH+](CCO)CC1 ZINC000445735441 354282652 /nfs/dbraw/zinc/28/26/52/354282652.db2.gz TVXJOAAIHFOGEK-BETUJISGSA-N 2 2 269.389 -0.004 20 0 CBADLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CC[NH+](CCO)CC1 ZINC000445735441 354282655 /nfs/dbraw/zinc/28/26/55/354282655.db2.gz TVXJOAAIHFOGEK-BETUJISGSA-N 2 2 269.389 -0.004 20 0 CBADLP C[C@@H]1CC[NH+](C[C@@H](O)C[N@H+]2CC[C@H](C)[C@@H](O)C2)C[C@H]1O ZINC000447311983 354296571 /nfs/dbraw/zinc/29/65/71/354296571.db2.gz JYXROXAXCIPQEG-CUZDEVPKSA-N 2 2 286.416 -0.247 20 0 CBADLP C[C@@H]1CC[NH+](C[C@@H](O)C[N@@H+]2CC[C@H](C)[C@@H](O)C2)C[C@H]1O ZINC000447311983 354296575 /nfs/dbraw/zinc/29/65/75/354296575.db2.gz JYXROXAXCIPQEG-CUZDEVPKSA-N 2 2 286.416 -0.247 20 0 CBADLP C[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+]2CC[C@H](C)[C@@H](O)C2)C[C@H]1O ZINC000447311983 354296577 /nfs/dbraw/zinc/29/65/77/354296577.db2.gz JYXROXAXCIPQEG-CUZDEVPKSA-N 2 2 286.416 -0.247 20 0 CBADLP C[C@@H]1CC[N@H+](C[C@@H](O)C[NH+]2CC[C@H](C)[C@@H](O)C2)C[C@H]1O ZINC000447311983 354296583 /nfs/dbraw/zinc/29/65/83/354296583.db2.gz JYXROXAXCIPQEG-CUZDEVPKSA-N 2 2 286.416 -0.247 20 0 CBADLP CO[C@@H](C[NH3+])CC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000447440064 354298420 /nfs/dbraw/zinc/29/84/20/354298420.db2.gz LXAPATYWCGOKLD-GHMZBOCLSA-N 2 2 259.350 -0.813 20 0 CBADLP CO[C@@H](C[NH3+])CC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000447440064 354298421 /nfs/dbraw/zinc/29/84/21/354298421.db2.gz LXAPATYWCGOKLD-GHMZBOCLSA-N 2 2 259.350 -0.813 20 0 CBADLP CO[C@@H](C[NH3+])CC(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000447442573 354298540 /nfs/dbraw/zinc/29/85/40/354298540.db2.gz SNQLDGOBMNLHFB-GHMZBOCLSA-N 2 2 254.334 -0.001 20 0 CBADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000444272120 354267339 /nfs/dbraw/zinc/26/73/39/354267339.db2.gz VYHLJDZJBXMVGC-VNHYZAJKSA-N 2 2 280.416 -0.262 20 0 CBADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000444272118 354267791 /nfs/dbraw/zinc/26/77/91/354267791.db2.gz VYHLJDZJBXMVGC-UMVBOHGHSA-N 2 2 280.416 -0.262 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1CSC[NH2+]1)C[NH+]1CCN(C)CC1 ZINC000262665918 137722716 /nfs/dbraw/zinc/72/27/16/137722716.db2.gz NJFVAKYKDCHSDE-NWDGAFQWSA-N 2 2 286.445 -0.351 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1CSC[NH2+]1)CN1CC[NH+](C)CC1 ZINC000262665918 137722717 /nfs/dbraw/zinc/72/27/17/137722717.db2.gz NJFVAKYKDCHSDE-NWDGAFQWSA-N 2 2 286.445 -0.351 20 0 CBADLP C[C@@H]([NH2+]C1CC1)C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000449093371 354317589 /nfs/dbraw/zinc/31/75/89/354317589.db2.gz VZVYUTCKOGWRPV-WDEREUQCSA-N 2 2 255.362 -0.036 20 0 CBADLP C[C@@H]([NH2+]C1CC1)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000449116182 354318922 /nfs/dbraw/zinc/31/89/22/354318922.db2.gz KIWMQVNRTUXMMN-GHMZBOCLSA-N 2 2 255.362 -0.036 20 0 CBADLP C[C@@H]([NH2+]C1CC1)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000449116182 354318925 /nfs/dbraw/zinc/31/89/25/354318925.db2.gz KIWMQVNRTUXMMN-GHMZBOCLSA-N 2 2 255.362 -0.036 20 0 CBADLP CC[C@H](CNS(C)(=O)=O)[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000449441904 354319517 /nfs/dbraw/zinc/31/95/17/354319517.db2.gz ISBCOZFSQUPMRC-MXWKQRLJSA-N 2 2 263.407 -0.146 20 0 CBADLP CC[C@H](CNS(C)(=O)=O)[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000449441904 354319519 /nfs/dbraw/zinc/31/95/19/354319519.db2.gz ISBCOZFSQUPMRC-MXWKQRLJSA-N 2 2 263.407 -0.146 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[NH2+]C[C@@](C)(F)C2)C1 ZINC000449575730 354321016 /nfs/dbraw/zinc/32/10/16/354321016.db2.gz NXYCNAHGGUNDQF-WCQYABFASA-N 2 2 273.352 -0.133 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[NH2+]C[C@@](C)(F)C2)C1 ZINC000449575730 354321019 /nfs/dbraw/zinc/32/10/19/354321019.db2.gz NXYCNAHGGUNDQF-WCQYABFASA-N 2 2 273.352 -0.133 20 0 CBADLP C[C@@H](CNS(=O)(=O)CCC[NH+]1CCOCC1)[NH+](C)C ZINC000451934100 354344061 /nfs/dbraw/zinc/34/40/61/354344061.db2.gz QSVSCDLSKZKJJU-LBPRGKRZSA-N 2 2 293.433 -0.422 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)CC1 ZINC000459823801 354389883 /nfs/dbraw/zinc/38/98/83/354389883.db2.gz VUEJYYBDJNFKGX-BETUJISGSA-N 2 2 296.415 -0.299 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)CC1 ZINC000459823801 354389885 /nfs/dbraw/zinc/38/98/85/354389885.db2.gz VUEJYYBDJNFKGX-BETUJISGSA-N 2 2 296.415 -0.299 20 0 CBADLP C[N@@H+]1CCCC[C@H]1CN1CC[NH+]([C@@H]2COC[C@H]2O)CC1 ZINC000463075878 354398740 /nfs/dbraw/zinc/39/87/40/354398740.db2.gz FTMMYGDQICBDKT-RRFJBIMHSA-N 2 2 283.416 -0.152 20 0 CBADLP C[N@H+]1CCCC[C@H]1CN1CC[NH+]([C@@H]2COC[C@H]2O)CC1 ZINC000463075878 354398743 /nfs/dbraw/zinc/39/87/43/354398743.db2.gz FTMMYGDQICBDKT-RRFJBIMHSA-N 2 2 283.416 -0.152 20 0 CBADLP C[C@@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000479774363 354408102 /nfs/dbraw/zinc/40/81/02/354408102.db2.gz XQRUYHCLSQYLSJ-RVMXOQNASA-N 2 2 267.373 -0.179 20 0 CBADLP C[C@@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000479774363 354408105 /nfs/dbraw/zinc/40/81/05/354408105.db2.gz XQRUYHCLSQYLSJ-RVMXOQNASA-N 2 2 267.373 -0.179 20 0 CBADLP CO[C@@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)C[C@@H]1OC ZINC000487999307 354419656 /nfs/dbraw/zinc/41/96/56/354419656.db2.gz LZBCURJEPHIECU-TXEJJXNPSA-N 2 2 271.361 -0.894 20 0 CBADLP CO[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)C[C@@H]1OC ZINC000487999307 354419658 /nfs/dbraw/zinc/41/96/58/354419658.db2.gz LZBCURJEPHIECU-TXEJJXNPSA-N 2 2 271.361 -0.894 20 0 CBADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)/C=C\C[NH+](C)C)CC1 ZINC000491627280 354459878 /nfs/dbraw/zinc/45/98/78/354459878.db2.gz DHNVTABZYRXWGN-ALCCZGGFSA-N 2 2 296.415 -0.225 20 0 CBADLP CCNC(=O)C[N@H+]1CCCN(C(=O)/C=C\C[NH+](C)C)CC1 ZINC000491627280 354459882 /nfs/dbraw/zinc/45/98/82/354459882.db2.gz DHNVTABZYRXWGN-ALCCZGGFSA-N 2 2 296.415 -0.225 20 0 CBADLP C[NH+](C)[C@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)C[C@@H]1O ZINC000493284114 354492585 /nfs/dbraw/zinc/49/25/85/354492585.db2.gz BBMOWNOPRYWFMV-SEUFLZDSSA-N 2 2 250.302 -0.444 20 0 CBADLP C[C@H](C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1)[NH+]1CCOCC1 ZINC000494899091 354496179 /nfs/dbraw/zinc/49/61/79/354496179.db2.gz XYTUQKIEVFLOMP-JHJVBQTASA-N 2 2 267.373 -0.083 20 0 CBADLP CC1(C)NC(=O)CC[C@@H]1[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000495085398 354498147 /nfs/dbraw/zinc/49/81/47/354498147.db2.gz OGYYKISPFAQAMW-RYUDHWBXSA-N 2 2 296.415 -0.027 20 0 CBADLP CC1(C)NC(=O)CC[C@@H]1[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000495085398 354498148 /nfs/dbraw/zinc/49/81/48/354498148.db2.gz OGYYKISPFAQAMW-RYUDHWBXSA-N 2 2 296.415 -0.027 20 0 CBADLP C[C@@H](CC[NH+](C)C)NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000515520880 354556126 /nfs/dbraw/zinc/55/61/26/354556126.db2.gz BEUBQULZEVTXJI-RYUDHWBXSA-N 3 2 271.409 -0.389 20 0 CBADLP C[C@@H](CC[NH+](C)C)NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000515520880 354556129 /nfs/dbraw/zinc/55/61/29/354556129.db2.gz BEUBQULZEVTXJI-RYUDHWBXSA-N 3 2 271.409 -0.389 20 0 CBADLP Cc1cnn(CC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c1 ZINC000519820813 354565565 /nfs/dbraw/zinc/56/55/65/354565565.db2.gz BFBLYLYCEACGBB-LLVKDONJSA-N 2 2 251.334 -0.707 20 0 CBADLP Cc1cnn(CC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c1 ZINC000519820813 354565569 /nfs/dbraw/zinc/56/55/69/354565569.db2.gz BFBLYLYCEACGBB-LLVKDONJSA-N 2 2 251.334 -0.707 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)[C@H]2C[NH+]3CCN2CCC3)CCO1 ZINC000535720756 354602820 /nfs/dbraw/zinc/60/28/20/354602820.db2.gz IJRNTTRNSKLOGM-UONOGXRCSA-N 2 2 296.415 -0.787 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)[C@H]2C[NH+]3CCN2CCC3)CCO1 ZINC000535720756 354602822 /nfs/dbraw/zinc/60/28/22/354602822.db2.gz IJRNTTRNSKLOGM-UONOGXRCSA-N 2 2 296.415 -0.787 20 0 CBADLP C[C@H]1C[NH+](CCNC(=O)[C@H]2C[N@@H+]3CCN2CCC3)CCO1 ZINC000535720756 354602824 /nfs/dbraw/zinc/60/28/24/354602824.db2.gz IJRNTTRNSKLOGM-UONOGXRCSA-N 2 2 296.415 -0.787 20 0 CBADLP C[C@H]1C[NH+](CCNC(=O)[C@H]2C[N@H+]3CCN2CCC3)CCO1 ZINC000535720756 354602827 /nfs/dbraw/zinc/60/28/27/354602827.db2.gz IJRNTTRNSKLOGM-UONOGXRCSA-N 2 2 296.415 -0.787 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N(C)CC[NH+]1CCOCC1 ZINC000528371836 354581535 /nfs/dbraw/zinc/58/15/35/354581535.db2.gz JFZIFSNTKJMYGD-UHFFFAOYSA-N 2 2 266.345 -0.018 20 0 CBADLP C[C@H](C[NH+](C)[C@H]1CCNC1=O)C[N@H+](C)[C@@H]1CCNC1=O ZINC000535379314 354601633 /nfs/dbraw/zinc/60/16/33/354601633.db2.gz ZTUKUWKADZKUKM-ZSBIGDGJSA-N 2 2 282.388 -0.737 20 0 CBADLP C[C@H](C[NH+](C)[C@H]1CCNC1=O)C[N@@H+](C)[C@@H]1CCNC1=O ZINC000535379314 354601634 /nfs/dbraw/zinc/60/16/34/354601634.db2.gz ZTUKUWKADZKUKM-ZSBIGDGJSA-N 2 2 282.388 -0.737 20 0 CBADLP C[C@@H](C[NH+](C)[C@@H]1CCNC1=O)C[N@H+](C)[C@H]1CCNC1=O ZINC000535379314 354601635 /nfs/dbraw/zinc/60/16/35/354601635.db2.gz ZTUKUWKADZKUKM-ZSBIGDGJSA-N 2 2 282.388 -0.737 20 0 CBADLP C[C@@H](C[NH+](C)[C@@H]1CCNC1=O)C[N@@H+](C)[C@H]1CCNC1=O ZINC000535379314 354601636 /nfs/dbraw/zinc/60/16/36/354601636.db2.gz ZTUKUWKADZKUKM-ZSBIGDGJSA-N 2 2 282.388 -0.737 20 0 CBADLP COC1CC([NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000546716432 354655145 /nfs/dbraw/zinc/65/51/45/354655145.db2.gz XVXYTFTWOLKQFA-ROKHWSDSSA-N 2 2 297.399 -0.314 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000536067065 354605096 /nfs/dbraw/zinc/60/50/96/354605096.db2.gz LDZAAUOGJJMKFQ-RKDXNWHRSA-N 2 2 265.317 -0.207 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000536067065 354605097 /nfs/dbraw/zinc/60/50/97/354605097.db2.gz LDZAAUOGJJMKFQ-RKDXNWHRSA-N 2 2 265.317 -0.207 20 0 CBADLP CC[N@@H+]1CCOC[C@@H]1C(=O)NCCNc1cc[nH+]cc1 ZINC000538274663 354613191 /nfs/dbraw/zinc/61/31/91/354613191.db2.gz WVOXXTYLOFVBRH-CYBMUJFWSA-N 2 2 278.356 -0.248 20 0 CBADLP CC[N@H+]1CCOC[C@@H]1C(=O)NCCNc1cc[nH+]cc1 ZINC000538274663 354613197 /nfs/dbraw/zinc/61/31/97/354613197.db2.gz WVOXXTYLOFVBRH-CYBMUJFWSA-N 2 2 278.356 -0.248 20 0 CBADLP C[N@@H+]1CCN(C(=O)NC[C@@H]2CCCO2)[C@@H](C[NH3+])C1 ZINC000557078030 354684913 /nfs/dbraw/zinc/68/49/13/354684913.db2.gz HHJIZJADVWNKSL-QWRGUYRKSA-N 2 2 256.350 -0.550 20 0 CBADLP C[N@H+]1CCN(C(=O)NC[C@@H]2CCCO2)[C@@H](C[NH3+])C1 ZINC000557078030 354684914 /nfs/dbraw/zinc/68/49/14/354684914.db2.gz HHJIZJADVWNKSL-QWRGUYRKSA-N 2 2 256.350 -0.550 20 0 CBADLP CC(C)[NH2+]CCCNC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000562827724 354689320 /nfs/dbraw/zinc/68/93/20/354689320.db2.gz YDNSVZIPAAOBHH-UHFFFAOYSA-N 2 2 296.415 -0.203 20 0 CBADLP CN1C[C@H]([NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC1=O ZINC000562960052 354690056 /nfs/dbraw/zinc/69/00/56/354690056.db2.gz JVCFWZOQKWHCKW-NTZNESFSSA-N 2 2 253.346 -0.426 20 0 CBADLP COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH2+]C2)C1 ZINC000563098416 354696975 /nfs/dbraw/zinc/69/69/75/354696975.db2.gz UKXSOMDRARZIDU-NEPJUHHUSA-N 2 2 283.372 -0.403 20 0 CBADLP COC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH2+]C2)C1 ZINC000563098416 354696978 /nfs/dbraw/zinc/69/69/78/354696978.db2.gz UKXSOMDRARZIDU-NEPJUHHUSA-N 2 2 283.372 -0.403 20 0 CBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C2([NH3+])CC2)[C@H](C)C1 ZINC000564838320 354718131 /nfs/dbraw/zinc/71/81/31/354718131.db2.gz GNMVNXYKCZQOSO-SNVBAGLBSA-N 2 2 269.345 -0.427 20 0 CBADLP COC(=O)CC[N@H+]1CCN(C(=O)C2([NH3+])CC2)[C@H](C)C1 ZINC000564838320 354718133 /nfs/dbraw/zinc/71/81/33/354718133.db2.gz GNMVNXYKCZQOSO-SNVBAGLBSA-N 2 2 269.345 -0.427 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000565154566 354729260 /nfs/dbraw/zinc/72/92/60/354729260.db2.gz BICTZCMCNBUDHN-VXGBXAGGSA-N 2 2 258.362 -0.618 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@@]1(C)C(N)=O ZINC000565158202 354729721 /nfs/dbraw/zinc/72/97/21/354729721.db2.gz RFZRBUUTQCHLEJ-JSGCOSHPSA-N 2 2 287.404 -0.345 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@@]1(C)C(N)=O ZINC000565158202 354729722 /nfs/dbraw/zinc/72/97/22/354729722.db2.gz RFZRBUUTQCHLEJ-JSGCOSHPSA-N 2 2 287.404 -0.345 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@@]1(C)C(N)=O ZINC000565158202 354729725 /nfs/dbraw/zinc/72/97/25/354729725.db2.gz RFZRBUUTQCHLEJ-JSGCOSHPSA-N 2 2 287.404 -0.345 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@@]1(C)C(N)=O ZINC000565158202 354729727 /nfs/dbraw/zinc/72/97/27/354729727.db2.gz RFZRBUUTQCHLEJ-JSGCOSHPSA-N 2 2 287.404 -0.345 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000556311422 354679438 /nfs/dbraw/zinc/67/94/38/354679438.db2.gz GHZSWDSADMSAEV-GFCCVEGCSA-N 2 2 295.387 -0.202 20 0 CBADLP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000565834413 354746374 /nfs/dbraw/zinc/74/63/74/354746374.db2.gz MXIWIRFSSRMWMQ-ZWNOBZJWSA-N 2 2 268.361 -0.094 20 0 CBADLP CNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000565834413 354746378 /nfs/dbraw/zinc/74/63/78/354746378.db2.gz MXIWIRFSSRMWMQ-ZWNOBZJWSA-N 2 2 268.361 -0.094 20 0 CBADLP C[C@H](C[NH2+]C[C@@H](O)C[NH+]1CCCCC1)S(C)(=O)=O ZINC000566232061 354758354 /nfs/dbraw/zinc/75/83/54/354758354.db2.gz YEHNWUODVWVACK-VXGBXAGGSA-N 2 2 278.418 -0.144 20 0 CBADLP C[NH2+]C[C@H]1CCC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000566246195 354760129 /nfs/dbraw/zinc/76/01/29/354760129.db2.gz LVJBBCBEKSQWAB-GFCCVEGCSA-N 3 2 254.378 -0.508 20 0 CBADLP C[NH2+]C[C@H]1CCC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000566246195 354760131 /nfs/dbraw/zinc/76/01/31/354760131.db2.gz LVJBBCBEKSQWAB-GFCCVEGCSA-N 3 2 254.378 -0.508 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)C[C@@H]1C(N)=O ZINC000566416638 354765271 /nfs/dbraw/zinc/76/52/71/354765271.db2.gz NQDLXNLSFWTZJQ-FRRDWIJNSA-N 2 2 287.404 -0.489 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)C[C@@H]1C(N)=O ZINC000566416638 354765274 /nfs/dbraw/zinc/76/52/74/354765274.db2.gz NQDLXNLSFWTZJQ-FRRDWIJNSA-N 2 2 287.404 -0.489 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](C)C[C@@H]1C(N)=O ZINC000566416638 354765277 /nfs/dbraw/zinc/76/52/77/354765277.db2.gz NQDLXNLSFWTZJQ-FRRDWIJNSA-N 2 2 287.404 -0.489 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](C)C[C@@H]1C(N)=O ZINC000566416638 354765278 /nfs/dbraw/zinc/76/52/78/354765278.db2.gz NQDLXNLSFWTZJQ-FRRDWIJNSA-N 2 2 287.404 -0.489 20 0 CBADLP COC[C@H](O)C[NH+]1CCC(CO)([NH2+]C(C)C)CC1 ZINC000566423917 354765428 /nfs/dbraw/zinc/76/54/28/354765428.db2.gz GYKGUFVYFGLCRE-GFCCVEGCSA-N 2 2 260.378 -0.181 20 0 CBADLP CN1CC[C@@H]([NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)C1=O ZINC000329392963 283043313 /nfs/dbraw/zinc/04/33/13/283043313.db2.gz UJNOHAGKKCHLGP-CYBMUJFWSA-N 2 2 297.399 -0.624 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCCO[C@@H](CF)C1 ZINC000566429753 354765968 /nfs/dbraw/zinc/76/59/68/354765968.db2.gz YBTOTGDUTNOEIA-OLZOCXBDSA-N 2 2 278.368 -0.014 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCCO[C@@H](CF)C1 ZINC000566429753 354765970 /nfs/dbraw/zinc/76/59/70/354765970.db2.gz YBTOTGDUTNOEIA-OLZOCXBDSA-N 2 2 278.368 -0.014 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCCO[C@@H](CF)C1 ZINC000566429753 354765972 /nfs/dbraw/zinc/76/59/72/354765972.db2.gz YBTOTGDUTNOEIA-OLZOCXBDSA-N 2 2 278.368 -0.014 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCCO[C@@H](CF)C1 ZINC000566429753 354765975 /nfs/dbraw/zinc/76/59/75/354765975.db2.gz YBTOTGDUTNOEIA-OLZOCXBDSA-N 2 2 278.368 -0.014 20 0 CBADLP Cn1c[nH+]cc1CCC[N@@H+]1CCOC[C@H]1CC(N)=O ZINC000566428659 354766451 /nfs/dbraw/zinc/76/64/51/354766451.db2.gz JJMXTMZLTCNBOZ-GFCCVEGCSA-N 2 2 266.345 -0.071 20 0 CBADLP Cn1c[nH+]cc1CCC[N@H+]1CCOC[C@H]1CC(N)=O ZINC000566428659 354766456 /nfs/dbraw/zinc/76/64/56/354766456.db2.gz JJMXTMZLTCNBOZ-GFCCVEGCSA-N 2 2 266.345 -0.071 20 0 CBADLP C[NH+](C)CC(=O)N1CCN(C(=O)C[NH+]2CC(C)(C)C2)CC1 ZINC000566433909 354766780 /nfs/dbraw/zinc/76/67/80/354766780.db2.gz XJPWGUFTKBFYRB-UHFFFAOYSA-N 2 2 296.415 -0.439 20 0 CBADLP C[NH2+][C@@H]1CCC[N@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000566619913 354771934 /nfs/dbraw/zinc/77/19/34/354771934.db2.gz IQEIFDBWFUOAIJ-QWHCGFSZSA-N 3 2 268.405 -0.133 20 0 CBADLP C[NH2+][C@@H]1CCC[N@@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000566619913 354771936 /nfs/dbraw/zinc/77/19/36/354771936.db2.gz IQEIFDBWFUOAIJ-QWHCGFSZSA-N 3 2 268.405 -0.133 20 0 CBADLP CNC(=O)CCC[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000566732657 354773796 /nfs/dbraw/zinc/77/37/96/354773796.db2.gz GKIDDHSBQQSQPG-XQQFMLRXSA-N 2 2 287.404 -0.428 20 0 CBADLP CNC(=O)CCC[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000566732657 354773798 /nfs/dbraw/zinc/77/37/98/354773798.db2.gz GKIDDHSBQQSQPG-XQQFMLRXSA-N 2 2 287.404 -0.428 20 0 CBADLP CN1CC[C@@H]([N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)C1=O ZINC000246692214 283044284 /nfs/dbraw/zinc/04/42/84/283044284.db2.gz KGSWDWSLINURRB-QWHCGFSZSA-N 2 2 267.373 -0.129 20 0 CBADLP CN1CC[C@@H]([N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)C1=O ZINC000246692214 283044287 /nfs/dbraw/zinc/04/42/87/283044287.db2.gz KGSWDWSLINURRB-QWHCGFSZSA-N 2 2 267.373 -0.129 20 0 CBADLP CCS(=O)(=O)CCC[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000567043260 354779874 /nfs/dbraw/zinc/77/98/74/354779874.db2.gz NTBPDEWONLWYKM-LBPRGKRZSA-N 2 2 278.418 -0.144 20 0 CBADLP CCS(=O)(=O)CCC[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000567043260 354779875 /nfs/dbraw/zinc/77/98/75/354779875.db2.gz NTBPDEWONLWYKM-LBPRGKRZSA-N 2 2 278.418 -0.144 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(CS(N)(=O)=O)CC1 ZINC000567120519 354781560 /nfs/dbraw/zinc/78/15/60/354781560.db2.gz FLFLVFUOXCOVKG-GFCCVEGCSA-N 2 2 293.433 -0.701 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(CS(N)(=O)=O)CC1 ZINC000567120519 354781562 /nfs/dbraw/zinc/78/15/62/354781562.db2.gz FLFLVFUOXCOVKG-GFCCVEGCSA-N 2 2 293.433 -0.701 20 0 CBADLP CO[C@H](C[NH3+])CC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000567169352 354782543 /nfs/dbraw/zinc/78/25/43/354782543.db2.gz MZYONVYNNKHMNV-MNOVXSKESA-N 2 2 259.350 -0.813 20 0 CBADLP CO[C@H](C[NH3+])CC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000567169352 354782544 /nfs/dbraw/zinc/78/25/44/354782544.db2.gz MZYONVYNNKHMNV-MNOVXSKESA-N 2 2 259.350 -0.813 20 0 CBADLP COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)C[NH2+]CC2CC2)C1 ZINC000567232942 354783287 /nfs/dbraw/zinc/78/32/87/354783287.db2.gz RGJXEVYZTVJLFW-CYBMUJFWSA-N 2 2 297.399 -0.013 20 0 CBADLP COC(=O)C[N@H+]1CCC[C@H](CNC(=O)C[NH2+]CC2CC2)C1 ZINC000567232942 354783289 /nfs/dbraw/zinc/78/32/89/354783289.db2.gz RGJXEVYZTVJLFW-CYBMUJFWSA-N 2 2 297.399 -0.013 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)CC1(C[NH3+])CC1 ZINC000567231755 354783383 /nfs/dbraw/zinc/78/33/83/354783383.db2.gz RTORUBJAQZZQKQ-NSHDSACASA-N 2 2 255.362 -0.048 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)CC1(C[NH3+])CC1 ZINC000567231755 354783384 /nfs/dbraw/zinc/78/33/84/354783384.db2.gz RTORUBJAQZZQKQ-NSHDSACASA-N 2 2 255.362 -0.048 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](O)C[C@@H]1C ZINC000567246073 354784077 /nfs/dbraw/zinc/78/40/77/354784077.db2.gz FGYOVMFMQACSGC-AVGNSLFASA-N 2 2 260.378 -0.229 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](O)C[C@@H]1C ZINC000567246073 354784080 /nfs/dbraw/zinc/78/40/80/354784080.db2.gz FGYOVMFMQACSGC-AVGNSLFASA-N 2 2 260.378 -0.229 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](O)C[C@@H]1C ZINC000567246073 354784082 /nfs/dbraw/zinc/78/40/82/354784082.db2.gz FGYOVMFMQACSGC-AVGNSLFASA-N 2 2 260.378 -0.229 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](O)C[C@@H]1C ZINC000567246073 354784085 /nfs/dbraw/zinc/78/40/85/354784085.db2.gz FGYOVMFMQACSGC-AVGNSLFASA-N 2 2 260.378 -0.229 20 0 CBADLP C[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C)[NH+]1CCN(C)CC1 ZINC000567353306 354785801 /nfs/dbraw/zinc/78/58/01/354785801.db2.gz LMSBPFJQGPIAFF-STQMWFEESA-N 2 2 268.405 -0.167 20 0 CBADLP CN(CCC[NH+]1CCN(C)CC1)C(=O)C[C@@H]1COCC[NH2+]1 ZINC000567812330 354798286 /nfs/dbraw/zinc/79/82/86/354798286.db2.gz RUHNCKCMYUELOQ-CQSZACIVSA-N 2 2 298.431 -0.539 20 0 CBADLP C[N@@H+]1CCN(C(=O)NCc2ccc(C[NH3+])cc2)[C@@H](C[NH3+])C1 ZINC000567819849 354799165 /nfs/dbraw/zinc/79/91/65/354799165.db2.gz ALLJGSINVJMABF-AWEZNQCLSA-N 3 2 291.399 -0.070 20 0 CBADLP C[N@H+]1CCN(C(=O)NCc2ccc(C[NH3+])cc2)[C@@H](C[NH3+])C1 ZINC000567819849 354799166 /nfs/dbraw/zinc/79/91/66/354799166.db2.gz ALLJGSINVJMABF-AWEZNQCLSA-N 3 2 291.399 -0.070 20 0 CBADLP CC[NH2+]CCNC(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000567834868 354800159 /nfs/dbraw/zinc/80/01/59/354800159.db2.gz MOVAAGDEMBTTTJ-UHFFFAOYSA-N 2 2 258.366 -0.832 20 0 CBADLP CC[NH2+]CCNC(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000567834868 354800161 /nfs/dbraw/zinc/80/01/61/354800161.db2.gz MOVAAGDEMBTTTJ-UHFFFAOYSA-N 2 2 258.366 -0.832 20 0 CBADLP COCCn1cc(CN2CC[N@H+](C)C[C@H]2C[NH3+])cn1 ZINC000567871988 354801759 /nfs/dbraw/zinc/80/17/59/354801759.db2.gz OCWINZPYRILRAK-CYBMUJFWSA-N 2 2 267.377 -0.396 20 0 CBADLP COCCn1cc(CN2CC[N@@H+](C)C[C@H]2C[NH3+])cn1 ZINC000567871988 354801761 /nfs/dbraw/zinc/80/17/61/354801761.db2.gz OCWINZPYRILRAK-CYBMUJFWSA-N 2 2 267.377 -0.396 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)[C@H]([NH3+])CC(F)F)CCO1 ZINC000567966308 354806437 /nfs/dbraw/zinc/80/64/37/354806437.db2.gz DYAHWIGTPZCEPQ-DTWKUNHWSA-N 2 2 265.304 -0.194 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)[C@H]([NH3+])CC(F)F)CCO1 ZINC000567966308 354806438 /nfs/dbraw/zinc/80/64/38/354806438.db2.gz DYAHWIGTPZCEPQ-DTWKUNHWSA-N 2 2 265.304 -0.194 20 0 CBADLP CNc1nc(NC[C@@H]2C[NH2+]CCN2C)[nH+]c2ccccc21 ZINC000568849372 354833293 /nfs/dbraw/zinc/83/32/93/354833293.db2.gz GGBPYEWSZREHFY-NSHDSACASA-N 2 2 286.383 -0.169 20 0 CBADLP CC[N@H+](C)C[C@H](O)CN1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000568168255 354813389 /nfs/dbraw/zinc/81/33/89/354813389.db2.gz BKDNHFUGFXBZDL-ZDUSSCGKSA-N 2 2 281.404 -0.160 20 0 CBADLP CC[N@@H+](C)C[C@H](O)CN1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000568168255 354813391 /nfs/dbraw/zinc/81/33/91/354813391.db2.gz BKDNHFUGFXBZDL-ZDUSSCGKSA-N 2 2 281.404 -0.160 20 0 CBADLP COc1c(N)[nH+]cnc1N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000568294755 354821552 /nfs/dbraw/zinc/82/15/52/354821552.db2.gz AZIWUZNFWWEKIT-VIFPVBQESA-N 2 2 267.333 -0.430 20 0 CBADLP COc1c(N)[nH+]cnc1N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000568294755 354821554 /nfs/dbraw/zinc/82/15/54/354821554.db2.gz AZIWUZNFWWEKIT-VIFPVBQESA-N 2 2 267.333 -0.430 20 0 CBADLP CC[C@H]1C[N@H+](C)CCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000568673277 354829648 /nfs/dbraw/zinc/82/96/48/354829648.db2.gz LXDQOCHZDMKPJX-RYUDHWBXSA-N 2 2 255.362 -0.130 20 0 CBADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000568673277 354829651 /nfs/dbraw/zinc/82/96/51/354829651.db2.gz LXDQOCHZDMKPJX-RYUDHWBXSA-N 2 2 255.362 -0.130 20 0 CBADLP CC[C@H]1C[NH+](C)CCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000568673277 354829653 /nfs/dbraw/zinc/82/96/53/354829653.db2.gz LXDQOCHZDMKPJX-RYUDHWBXSA-N 2 2 255.362 -0.130 20 0 CBADLP CC[C@H]1C[NH+](C)CCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000568673277 354829654 /nfs/dbraw/zinc/82/96/54/354829654.db2.gz LXDQOCHZDMKPJX-RYUDHWBXSA-N 2 2 255.362 -0.130 20 0 CBADLP CO[C@H](C)[C@@H](C)NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000567716204 354794763 /nfs/dbraw/zinc/79/47/63/354794763.db2.gz WIHLSTWFAFFEOV-GMTAPVOTSA-N 2 2 258.366 -0.306 20 0 CBADLP CO[C@H](C)[C@@H](C)NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000567716204 354794764 /nfs/dbraw/zinc/79/47/64/354794764.db2.gz WIHLSTWFAFFEOV-GMTAPVOTSA-N 2 2 258.366 -0.306 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)CCc1cnccn1 ZINC000571653556 354877124 /nfs/dbraw/zinc/87/71/24/354877124.db2.gz JELDDPLHSXJDFH-AWEZNQCLSA-N 2 2 282.388 -0.110 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)CCc1cnccn1 ZINC000571653556 354877126 /nfs/dbraw/zinc/87/71/26/354877126.db2.gz JELDDPLHSXJDFH-AWEZNQCLSA-N 2 2 282.388 -0.110 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)CCc1cnccn1 ZINC000571653556 354877128 /nfs/dbraw/zinc/87/71/28/354877128.db2.gz JELDDPLHSXJDFH-AWEZNQCLSA-N 2 2 282.388 -0.110 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)CCc1cnccn1 ZINC000571653556 354877129 /nfs/dbraw/zinc/87/71/29/354877129.db2.gz JELDDPLHSXJDFH-AWEZNQCLSA-N 2 2 282.388 -0.110 20 0 CBADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)CC2(C[NH3+])CC2)CC1 ZINC000568997176 354835976 /nfs/dbraw/zinc/83/59/76/354835976.db2.gz GWRRWBBIHJQQNT-UHFFFAOYSA-N 2 2 282.388 -0.477 20 0 CBADLP CCS(=O)(=O)NCCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000569971707 354851228 /nfs/dbraw/zinc/85/12/28/354851228.db2.gz DEDOFTMSPKDXFJ-RYUDHWBXSA-N 2 2 275.418 0.000 20 0 CBADLP CCS(=O)(=O)NCCC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000569971707 354851231 /nfs/dbraw/zinc/85/12/31/354851231.db2.gz DEDOFTMSPKDXFJ-RYUDHWBXSA-N 2 2 275.418 0.000 20 0 CBADLP CCN(CC)C(=O)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000570175976 354856478 /nfs/dbraw/zinc/85/64/78/354856478.db2.gz ICTRVSRNMYYYMG-QWRGUYRKSA-N 2 2 268.361 -0.901 20 0 CBADLP CCN(CC)C(=O)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000570175976 354856481 /nfs/dbraw/zinc/85/64/81/354856481.db2.gz ICTRVSRNMYYYMG-QWRGUYRKSA-N 2 2 268.361 -0.901 20 0 CBADLP C[C@H]1CS(=O)(=O)C[C@H]1[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000570202355 354856953 /nfs/dbraw/zinc/85/69/53/354856953.db2.gz GTLAGKMJBMPKGU-ZMLRMANQSA-N 2 2 276.402 -0.536 20 0 CBADLP C[C@H]1CS(=O)(=O)C[C@H]1[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000570202355 354856956 /nfs/dbraw/zinc/85/69/56/354856956.db2.gz GTLAGKMJBMPKGU-ZMLRMANQSA-N 2 2 276.402 -0.536 20 0 CBADLP COC[C@H](CO)[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000570279454 354858713 /nfs/dbraw/zinc/85/87/13/354858713.db2.gz GCHDBQBQQUYPPJ-NDBYEHHHSA-N 2 2 276.377 -0.947 20 0 CBADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000571999092 354883871 /nfs/dbraw/zinc/88/38/71/354883871.db2.gz JKYRFMJNBOSVRM-ZIAGYGMSSA-N 2 2 297.447 -0.032 20 0 CBADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000571999092 354883879 /nfs/dbraw/zinc/88/38/79/354883879.db2.gz JKYRFMJNBOSVRM-ZIAGYGMSSA-N 2 2 297.447 -0.032 20 0 CBADLP CC[C@@H]1C[NH+](C)CCN1C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000571999092 354883883 /nfs/dbraw/zinc/88/38/83/354883883.db2.gz JKYRFMJNBOSVRM-ZIAGYGMSSA-N 2 2 297.447 -0.032 20 0 CBADLP CC[C@@H]1C[NH+](C)CCN1C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000571999092 354883885 /nfs/dbraw/zinc/88/38/85/354883885.db2.gz JKYRFMJNBOSVRM-ZIAGYGMSSA-N 2 2 297.447 -0.032 20 0 CBADLP C[C@@H](C[NH3+])CNC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000417018863 295891626 /nfs/dbraw/zinc/89/16/26/295891626.db2.gz FUXHRWNBVHBYCT-QWRGUYRKSA-N 2 2 258.366 -0.399 20 0 CBADLP CN(C)C(=O)CC[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000572159564 354888172 /nfs/dbraw/zinc/88/81/72/354888172.db2.gz RUSSKJHQTYCZLC-LBPRGKRZSA-N 2 2 282.388 -0.639 20 0 CBADLP C[N@@H+]1CCN(C(=O)NCC2(C)CC[NH2+]CC2)[C@@H](C[NH3+])C1 ZINC000572347738 354891211 /nfs/dbraw/zinc/89/12/11/354891211.db2.gz MQWVXGDKRLBBJT-LBPRGKRZSA-N 3 2 283.420 -0.340 20 0 CBADLP C[N@H+]1CCN(C(=O)NCC2(C)CC[NH2+]CC2)[C@@H](C[NH3+])C1 ZINC000572347738 354891216 /nfs/dbraw/zinc/89/12/16/354891216.db2.gz MQWVXGDKRLBBJT-LBPRGKRZSA-N 3 2 283.420 -0.340 20 0 CBADLP C[C@@H](C(=O)N1CC[N@H+](CCO)C[C@@H]1C)[NH+]1CC(C)C1 ZINC000572780551 354897901 /nfs/dbraw/zinc/89/79/01/354897901.db2.gz NWWYMWFGGBRGJR-STQMWFEESA-N 2 2 269.389 -0.148 20 0 CBADLP C[C@@H](C(=O)N1CC[N@@H+](CCO)C[C@@H]1C)[NH+]1CC(C)C1 ZINC000572780551 354897905 /nfs/dbraw/zinc/89/79/05/354897905.db2.gz NWWYMWFGGBRGJR-STQMWFEESA-N 2 2 269.389 -0.148 20 0 CBADLP C[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](CCO)CC2)C1 ZINC000572897416 354900403 /nfs/dbraw/zinc/90/04/03/354900403.db2.gz KYAGVJBOEVUGQJ-GFCCVEGCSA-N 2 2 255.362 -0.535 20 0 CBADLP C[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](CCO)CC2)C1 ZINC000572897416 354900409 /nfs/dbraw/zinc/90/04/09/354900409.db2.gz KYAGVJBOEVUGQJ-GFCCVEGCSA-N 2 2 255.362 -0.535 20 0 CBADLP CN(CC1CC1)C(=O)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000573459859 354913154 /nfs/dbraw/zinc/91/31/54/354913154.db2.gz PPFPKBMRKBFZNQ-NEPJUHHUSA-N 2 2 280.372 -0.901 20 0 CBADLP CN(CC1CC1)C(=O)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000573459859 354913158 /nfs/dbraw/zinc/91/31/58/354913158.db2.gz PPFPKBMRKBFZNQ-NEPJUHHUSA-N 2 2 280.372 -0.901 20 0 CBADLP CC[C@H]1CN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)C[C@H]1[NH+]1CCOCC1 ZINC000573488784 354914155 /nfs/dbraw/zinc/91/41/55/354914155.db2.gz FMHUQBIFECKOII-REWJHTLYSA-N 2 2 297.399 -0.722 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](CC(N)=O)C1 ZINC000571773087 354880034 /nfs/dbraw/zinc/88/00/34/354880034.db2.gz ZKUOTNLEZVPHMQ-OLZOCXBDSA-N 2 2 287.404 -0.487 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](CC(N)=O)C1 ZINC000571773087 354880036 /nfs/dbraw/zinc/88/00/36/354880036.db2.gz ZKUOTNLEZVPHMQ-OLZOCXBDSA-N 2 2 287.404 -0.487 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](CC(N)=O)C1 ZINC000571773087 354880039 /nfs/dbraw/zinc/88/00/39/354880039.db2.gz ZKUOTNLEZVPHMQ-OLZOCXBDSA-N 2 2 287.404 -0.487 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](CC(N)=O)C1 ZINC000571773087 354880041 /nfs/dbraw/zinc/88/00/41/354880041.db2.gz ZKUOTNLEZVPHMQ-OLZOCXBDSA-N 2 2 287.404 -0.487 20 0 CBADLP C[NH+](C)CC(=O)N1CC[NH+](Cc2ncccc2O)CC1 ZINC000573813722 354921753 /nfs/dbraw/zinc/92/17/53/354921753.db2.gz XXILVZVITSVEPU-UHFFFAOYSA-N 2 2 278.356 -0.007 20 0 CBADLP CNC(=O)C[NH+]1CCC(NC(=O)[C@H](C)[NH+]2CC(C)C2)CC1 ZINC000573814165 354922229 /nfs/dbraw/zinc/92/22/29/354922229.db2.gz OTBFQGNPFGFCJS-LBPRGKRZSA-N 2 2 296.415 -0.347 20 0 CBADLP COc1c(N)[nH+]cnc1N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000573933388 354925406 /nfs/dbraw/zinc/92/54/06/354925406.db2.gz FFDDCLGYMZCGQA-AOOOYVTPSA-N 2 2 281.360 -0.041 20 0 CBADLP COc1c(N)[nH+]cnc1N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000573933388 354925408 /nfs/dbraw/zinc/92/54/08/354925408.db2.gz FFDDCLGYMZCGQA-AOOOYVTPSA-N 2 2 281.360 -0.041 20 0 CBADLP CO[C@@H]1CC[C@H](NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])C1 ZINC000574023979 354926589 /nfs/dbraw/zinc/92/65/89/354926589.db2.gz GYMMKMCEOMKMIW-QJPTWQEYSA-N 2 2 270.377 -0.162 20 0 CBADLP C[C@H](C[NH2+]C[C@H](O)C[N@H+](C)C1CC1)C[NH+]1CCOCC1 ZINC000574191821 354930307 /nfs/dbraw/zinc/93/03/07/354930307.db2.gz IXMPADNZMJENTL-HIFRSBDPSA-N 3 2 285.432 -0.001 20 0 CBADLP C[C@H](C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1)C[NH+]1CCOCC1 ZINC000574191821 354930310 /nfs/dbraw/zinc/93/03/10/354930310.db2.gz IXMPADNZMJENTL-HIFRSBDPSA-N 3 2 285.432 -0.001 20 0 CBADLP NC(=O)c1c[nH+]ccc1NCC1([NH+]2CCOCC2)CC1 ZINC000574894983 354931483 /nfs/dbraw/zinc/93/14/83/354931483.db2.gz KBRHAQMVDXZBND-UHFFFAOYSA-N 2 2 276.340 -0.121 20 0 CBADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](C[C@H](O)CN2CCOCC2)C1 ZINC000575069163 354934114 /nfs/dbraw/zinc/93/41/14/354934114.db2.gz PPYUSOMCZCCSFQ-ZIAGYGMSSA-N 2 2 294.399 -0.098 20 0 CBADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](C[C@H](O)CN2CCOCC2)C1 ZINC000575069163 354934116 /nfs/dbraw/zinc/93/41/16/354934116.db2.gz PPYUSOMCZCCSFQ-ZIAGYGMSSA-N 2 2 294.399 -0.098 20 0 CBADLP COCC(COC)[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000579091671 354960697 /nfs/dbraw/zinc/96/06/97/354960697.db2.gz HMDJUCFFEAEKAZ-ZDUSSCGKSA-N 2 2 299.415 -0.256 20 0 CBADLP COCC(COC)[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000579091671 354960700 /nfs/dbraw/zinc/96/07/00/354960700.db2.gz HMDJUCFFEAEKAZ-ZDUSSCGKSA-N 2 2 299.415 -0.256 20 0 CBADLP CC[C@@H](COC)NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000575108542 354934672 /nfs/dbraw/zinc/93/46/72/354934672.db2.gz QARLPZZMRCFPCF-WDEREUQCSA-N 2 2 258.366 -0.304 20 0 CBADLP CC[C@@H](COC)NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000575108542 354934676 /nfs/dbraw/zinc/93/46/76/354934676.db2.gz QARLPZZMRCFPCF-WDEREUQCSA-N 2 2 258.366 -0.304 20 0 CBADLP C[NH2+]CC1CCN(C(=O)C[N@H+](C)CC(=O)NC(C)C)CC1 ZINC000578130956 354938882 /nfs/dbraw/zinc/93/88/82/354938882.db2.gz RHJYXOODDQCXNT-UHFFFAOYSA-N 2 2 298.431 -0.099 20 0 CBADLP C[NH2+]CC1CCN(C(=O)C[N@@H+](C)CC(=O)NC(C)C)CC1 ZINC000578130956 354938885 /nfs/dbraw/zinc/93/88/85/354938885.db2.gz RHJYXOODDQCXNT-UHFFFAOYSA-N 2 2 298.431 -0.099 20 0 CBADLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)C[C@@H]1CCC[NH2+]C1 ZINC000578237055 354941745 /nfs/dbraw/zinc/94/17/45/354941745.db2.gz XYMWCRWLFXXVGI-GFCCVEGCSA-N 3 2 254.378 -0.650 20 0 CBADLP C[N@H+](CC(=O)N1CC[NH2+]CC1)C[C@@H]1CCC[NH2+]C1 ZINC000578237055 354941750 /nfs/dbraw/zinc/94/17/50/354941750.db2.gz XYMWCRWLFXXVGI-GFCCVEGCSA-N 3 2 254.378 -0.650 20 0 CBADLP C[C@@H](C[NH+](C)C)NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000578226626 354942096 /nfs/dbraw/zinc/94/20/96/354942096.db2.gz LTIHOLAPBNNEBO-QWRGUYRKSA-N 3 2 257.382 -0.779 20 0 CBADLP C[C@@H](C[NH+](C)C)NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000578226626 354942100 /nfs/dbraw/zinc/94/21/00/354942100.db2.gz LTIHOLAPBNNEBO-QWRGUYRKSA-N 3 2 257.382 -0.779 20 0 CBADLP C[C@@H](CC(=O)NCCC[N@@H+]1CCNC(=O)C1)n1cc[nH+]c1 ZINC000578538931 354948652 /nfs/dbraw/zinc/94/86/52/354948652.db2.gz KKJSMYVLXDNPSI-LBPRGKRZSA-N 2 2 293.371 -0.228 20 0 CBADLP C[C@@H](CC(=O)NCCC[N@H+]1CCNC(=O)C1)n1cc[nH+]c1 ZINC000578538931 354948654 /nfs/dbraw/zinc/94/86/54/354948654.db2.gz KKJSMYVLXDNPSI-LBPRGKRZSA-N 2 2 293.371 -0.228 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000578659120 354951379 /nfs/dbraw/zinc/95/13/79/354951379.db2.gz DFJUCOWYTVGHPI-HZSPNIEDSA-N 2 2 269.389 -0.230 20 0 CBADLP Cc1cc(=O)[nH]cc1C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000578892949 354957565 /nfs/dbraw/zinc/95/75/65/354957565.db2.gz GLQOETWLQVNADC-JTQLQIEISA-N 2 2 264.329 -0.189 20 0 CBADLP C[N@@H+]1CCN(C(=O)N[C@H]2COCC2(C)C)[C@H](C[NH3+])C1 ZINC000579212144 354964281 /nfs/dbraw/zinc/96/42/81/354964281.db2.gz BUBXOAZZXHFDLE-MNOVXSKESA-N 2 2 270.377 -0.304 20 0 CBADLP C[N@H+]1CCN(C(=O)N[C@H]2COCC2(C)C)[C@H](C[NH3+])C1 ZINC000579212144 354964283 /nfs/dbraw/zinc/96/42/83/354964283.db2.gz BUBXOAZZXHFDLE-MNOVXSKESA-N 2 2 270.377 -0.304 20 0 CBADLP COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH2+][C@@H]2C)C1 ZINC000579708046 354976937 /nfs/dbraw/zinc/97/69/37/354976937.db2.gz LLLVAYJPXKHXEH-UPJWGTAASA-N 2 2 297.399 -0.014 20 0 CBADLP COC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH2+][C@@H]2C)C1 ZINC000579708046 354976939 /nfs/dbraw/zinc/97/69/39/354976939.db2.gz LLLVAYJPXKHXEH-UPJWGTAASA-N 2 2 297.399 -0.014 20 0 CBADLP COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH2+][C@H]2C)C1 ZINC000579708048 354976990 /nfs/dbraw/zinc/97/69/90/354976990.db2.gz LLLVAYJPXKHXEH-XQQFMLRXSA-N 2 2 297.399 -0.014 20 0 CBADLP COC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH2+][C@H]2C)C1 ZINC000579708048 354976993 /nfs/dbraw/zinc/97/69/93/354976993.db2.gz LLLVAYJPXKHXEH-XQQFMLRXSA-N 2 2 297.399 -0.014 20 0 CBADLP COC[C@@]1(C(=O)N(C)CC[NH+]2CCOCC2)CC[NH2+]C1 ZINC000579825549 354980406 /nfs/dbraw/zinc/98/04/06/354980406.db2.gz NNJAPCIWOCNHTA-CQSZACIVSA-N 2 2 285.388 -0.597 20 0 CBADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](C)C(=O)NCC[NH+](C)C ZINC000579857984 354982237 /nfs/dbraw/zinc/98/22/37/354982237.db2.gz NTIZNXZXQFNIKK-GHMZBOCLSA-N 2 2 295.387 -0.229 20 0 CBADLP CN1CCC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)C1=O ZINC000580184818 354989661 /nfs/dbraw/zinc/98/96/61/354989661.db2.gz WDXVMVCYGSRWTC-NEPJUHHUSA-N 2 2 255.362 -0.348 20 0 CBADLP CN1CCC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)C1=O ZINC000580184818 354989665 /nfs/dbraw/zinc/98/96/65/354989665.db2.gz WDXVMVCYGSRWTC-NEPJUHHUSA-N 2 2 255.362 -0.348 20 0 CBADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CC[NH+]3CCCC[C@@H]23)[C@@H](C[NH3+])C1 ZINC000580299705 354991775 /nfs/dbraw/zinc/99/17/75/354991775.db2.gz DHRGMMDAFRKWAC-MJBXVCDLSA-N 3 2 295.431 -0.103 20 0 CBADLP C[N@H+]1CCN(C(=O)N[C@@H]2CC[NH+]3CCCC[C@@H]23)[C@@H](C[NH3+])C1 ZINC000580299705 354991777 /nfs/dbraw/zinc/99/17/77/354991777.db2.gz DHRGMMDAFRKWAC-MJBXVCDLSA-N 3 2 295.431 -0.103 20 0 CBADLP C[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)[C@@H](C[NH3+])C1 ZINC000580299705 354991778 /nfs/dbraw/zinc/99/17/78/354991778.db2.gz DHRGMMDAFRKWAC-MJBXVCDLSA-N 3 2 295.431 -0.103 20 0 CBADLP C[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)[C@@H](C[NH3+])C1 ZINC000580299705 354991780 /nfs/dbraw/zinc/99/17/80/354991780.db2.gz DHRGMMDAFRKWAC-MJBXVCDLSA-N 3 2 295.431 -0.103 20 0 CBADLP C[NH2+]C[C@H]1CCCN(C(=O)C[N@H+](C)CC(=O)NC(C)C)C1 ZINC000580309629 354992550 /nfs/dbraw/zinc/99/25/50/354992550.db2.gz ALBWNLJEQUARJX-CYBMUJFWSA-N 2 2 298.431 -0.099 20 0 CBADLP C[NH2+]C[C@H]1CCCN(C(=O)C[N@@H+](C)CC(=O)NC(C)C)C1 ZINC000580309629 354992553 /nfs/dbraw/zinc/99/25/53/354992553.db2.gz ALBWNLJEQUARJX-CYBMUJFWSA-N 2 2 298.431 -0.099 20 0 CBADLP CCOC(=O)CC[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000580347522 354994547 /nfs/dbraw/zinc/99/45/47/354994547.db2.gz ZKAZUAVQBYBZQU-UWVGGRQHSA-N 2 2 255.318 -0.817 20 0 CBADLP CCOC(=O)CC[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000580347522 354994550 /nfs/dbraw/zinc/99/45/50/354994550.db2.gz ZKAZUAVQBYBZQU-UWVGGRQHSA-N 2 2 255.318 -0.817 20 0 CBADLP CCOC(=O)CC[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000580347524 354994651 /nfs/dbraw/zinc/99/46/51/354994651.db2.gz ZKAZUAVQBYBZQU-ZJUUUORDSA-N 2 2 255.318 -0.817 20 0 CBADLP CCOC(=O)CC[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000580347524 354994654 /nfs/dbraw/zinc/99/46/54/354994654.db2.gz ZKAZUAVQBYBZQU-ZJUUUORDSA-N 2 2 255.318 -0.817 20 0 CBADLP CCOC(=O)CC[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000580347523 354994663 /nfs/dbraw/zinc/99/46/63/354994663.db2.gz ZKAZUAVQBYBZQU-VHSXEESVSA-N 2 2 255.318 -0.817 20 0 CBADLP CCOC(=O)CC[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000580347523 354994665 /nfs/dbraw/zinc/99/46/65/354994665.db2.gz ZKAZUAVQBYBZQU-VHSXEESVSA-N 2 2 255.318 -0.817 20 0 CBADLP Cc1ccn2cc(CNC(=O)C(=O)NC3C[NH2+]C3)[nH+]c2c1 ZINC000580705909 354995583 /nfs/dbraw/zinc/99/55/83/354995583.db2.gz CFKYLNAVXOXPOP-UHFFFAOYSA-N 2 2 287.323 -0.653 20 0 CBADLP COC[C@H](NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])C(C)C ZINC000580704200 354996061 /nfs/dbraw/zinc/99/60/61/354996061.db2.gz QODXZNRSTVIGEZ-RYUDHWBXSA-N 2 2 272.393 -0.058 20 0 CBADLP COC[C@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])C(C)C ZINC000580704200 354996063 /nfs/dbraw/zinc/99/60/63/354996063.db2.gz QODXZNRSTVIGEZ-RYUDHWBXSA-N 2 2 272.393 -0.058 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000584719070 355035643 /nfs/dbraw/zinc/03/56/43/355035643.db2.gz LULVMXHTIDWWIH-NSHDSACASA-N 2 2 270.377 -0.704 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000584719070 355035646 /nfs/dbraw/zinc/03/56/46/355035646.db2.gz LULVMXHTIDWWIH-NSHDSACASA-N 2 2 270.377 -0.704 20 0 CBADLP C[NH2+]C[C@H](C)CNC(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000582061193 355006387 /nfs/dbraw/zinc/00/63/87/355006387.db2.gz DPQQOUARFMIFNP-NSHDSACASA-N 2 2 272.393 -0.586 20 0 CBADLP C[NH2+]C[C@H](C)CNC(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000582061193 355006389 /nfs/dbraw/zinc/00/63/89/355006389.db2.gz DPQQOUARFMIFNP-NSHDSACASA-N 2 2 272.393 -0.586 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](c2nnc(C)[nH]2)C1 ZINC000582249025 355011409 /nfs/dbraw/zinc/01/14/09/355011409.db2.gz BYMLVRQXXSSZJJ-QWHCGFSZSA-N 2 2 297.403 -0.158 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](c2nnc(C)[nH]2)C1 ZINC000582249025 355011416 /nfs/dbraw/zinc/01/14/16/355011416.db2.gz BYMLVRQXXSSZJJ-QWHCGFSZSA-N 2 2 297.403 -0.158 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](c2nnc(C)[nH]2)C1 ZINC000582249025 355011420 /nfs/dbraw/zinc/01/14/20/355011420.db2.gz BYMLVRQXXSSZJJ-QWHCGFSZSA-N 2 2 297.403 -0.158 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](c2nnc(C)[nH]2)C1 ZINC000582249025 355011423 /nfs/dbraw/zinc/01/14/23/355011423.db2.gz BYMLVRQXXSSZJJ-QWHCGFSZSA-N 2 2 297.403 -0.158 20 0 CBADLP COC[C@@H](NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])C1CC1 ZINC000582350047 355013479 /nfs/dbraw/zinc/01/34/79/355013479.db2.gz JIROKJIRXKEBNL-NWDGAFQWSA-N 2 2 270.377 -0.304 20 0 CBADLP COC[C@@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])C1CC1 ZINC000582350047 355013484 /nfs/dbraw/zinc/01/34/84/355013484.db2.gz JIROKJIRXKEBNL-NWDGAFQWSA-N 2 2 270.377 -0.304 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)[C@H]2CCCC[NH2+]2)CCO1 ZINC000582303640 355014227 /nfs/dbraw/zinc/01/42/27/355014227.db2.gz GWBJFNXDFBYPOS-NWDGAFQWSA-N 2 2 255.362 -0.035 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)[C@H]2CCCC[NH2+]2)CCO1 ZINC000582303640 355014228 /nfs/dbraw/zinc/01/42/28/355014228.db2.gz GWBJFNXDFBYPOS-NWDGAFQWSA-N 2 2 255.362 -0.035 20 0 CBADLP [NH3+][C@H]1C[C@H]2CN(c3cc(NC4CC4)[nH+]cn3)CCN2C1=O ZINC000582371343 355015845 /nfs/dbraw/zinc/01/58/45/355015845.db2.gz WCKZIKYEWBPUEK-QWRGUYRKSA-N 2 2 288.355 -0.201 20 0 CBADLP [NH3+][C@H]1C[C@H]2CN(c3cc(NC4CC4)nc[nH+]3)CCN2C1=O ZINC000582371343 355015849 /nfs/dbraw/zinc/01/58/49/355015849.db2.gz WCKZIKYEWBPUEK-QWRGUYRKSA-N 2 2 288.355 -0.201 20 0 CBADLP CC(C)CNC(=O)[C@H](C)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000583511185 355018762 /nfs/dbraw/zinc/01/87/62/355018762.db2.gz SGLCIVYLYXQWIM-SDDRHHMPSA-N 2 2 282.388 -0.609 20 0 CBADLP CC(C)CNC(=O)[C@H](C)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000583511185 355018768 /nfs/dbraw/zinc/01/87/68/355018768.db2.gz SGLCIVYLYXQWIM-SDDRHHMPSA-N 2 2 282.388 -0.609 20 0 CBADLP [NH3+]C[C@H]1CCCN1C(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000583866077 355023221 /nfs/dbraw/zinc/02/32/21/355023221.db2.gz QJCIYUWFESVJRN-GFCCVEGCSA-N 2 2 280.372 -0.757 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+](CCO)[C@H]1CCO[C@H]1C ZINC000584002096 355027466 /nfs/dbraw/zinc/02/74/66/355027466.db2.gz LZOPQEWRQKIYON-AVGNSLFASA-N 2 2 260.378 -0.229 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+](CCO)[C@H]1CCO[C@H]1C ZINC000584002096 355027470 /nfs/dbraw/zinc/02/74/70/355027470.db2.gz LZOPQEWRQKIYON-AVGNSLFASA-N 2 2 260.378 -0.229 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@H+](CCO)[C@H]1CCO[C@H]1C ZINC000584002096 355027474 /nfs/dbraw/zinc/02/74/74/355027474.db2.gz LZOPQEWRQKIYON-AVGNSLFASA-N 2 2 260.378 -0.229 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@@H+](CCO)[C@H]1CCO[C@H]1C ZINC000584002096 355027477 /nfs/dbraw/zinc/02/74/77/355027477.db2.gz LZOPQEWRQKIYON-AVGNSLFASA-N 2 2 260.378 -0.229 20 0 CBADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCC(=O)N(C)C2=O)n1C ZINC000584064420 355027996 /nfs/dbraw/zinc/02/79/96/355027996.db2.gz ASRZUSXVGBQSMS-SNVBAGLBSA-N 2 2 250.302 -0.034 20 0 CBADLP CNC(=O)NC(=O)CC[N@@H+]1CCn2c[nH+]cc2C1 ZINC000590598995 355085404 /nfs/dbraw/zinc/08/54/04/355085404.db2.gz BBSPZDYQIQALEU-UHFFFAOYSA-N 2 2 251.290 -0.456 20 0 CBADLP CNC(=O)NC(=O)CC[N@H+]1CCn2c[nH+]cc2C1 ZINC000590598995 355085407 /nfs/dbraw/zinc/08/54/07/355085407.db2.gz BBSPZDYQIQALEU-UHFFFAOYSA-N 2 2 251.290 -0.456 20 0 CBADLP CC(C)[NH2+]CC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000589031668 355064718 /nfs/dbraw/zinc/06/47/18/355064718.db2.gz XVIVYZMIXLAYRW-UHFFFAOYSA-N 2 2 296.415 -0.249 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000591096399 355091405 /nfs/dbraw/zinc/09/14/05/355091405.db2.gz JPKORHBJUDCLCB-NEPJUHHUSA-N 2 2 255.362 -0.225 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000591096399 355091409 /nfs/dbraw/zinc/09/14/09/355091409.db2.gz JPKORHBJUDCLCB-NEPJUHHUSA-N 2 2 255.362 -0.225 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000591096402 355091955 /nfs/dbraw/zinc/09/19/55/355091955.db2.gz JPKORHBJUDCLCB-VXGBXAGGSA-N 2 2 255.362 -0.225 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000591096402 355091957 /nfs/dbraw/zinc/09/19/57/355091957.db2.gz JPKORHBJUDCLCB-VXGBXAGGSA-N 2 2 255.362 -0.225 20 0 CBADLP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)c1coc(C[NH3+])c1 ZINC000592557199 355163716 /nfs/dbraw/zinc/16/37/16/355163716.db2.gz WMSYVJZBOCQNRZ-LLVKDONJSA-N 2 2 281.312 -0.285 20 0 CBADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H]2CCC[NH2+]2)[C@@H](C)C1 ZINC000592564687 355165257 /nfs/dbraw/zinc/16/52/57/355165257.db2.gz PCQBDVJTXBOFII-NWDGAFQWSA-N 2 2 283.372 -0.166 20 0 CBADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@H]2CCC[NH2+]2)[C@@H](C)C1 ZINC000592564687 355165261 /nfs/dbraw/zinc/16/52/61/355165261.db2.gz PCQBDVJTXBOFII-NWDGAFQWSA-N 2 2 283.372 -0.166 20 0 CBADLP COC(=O)CNC(=O)C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000592183206 355136724 /nfs/dbraw/zinc/13/67/24/355136724.db2.gz SJSWXLVTPQIAKH-UHFFFAOYSA-N 2 2 299.371 -0.928 20 0 CBADLP COC(=O)CNC(=O)C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000592183206 355136727 /nfs/dbraw/zinc/13/67/27/355136727.db2.gz SJSWXLVTPQIAKH-UHFFFAOYSA-N 2 2 299.371 -0.928 20 0 CBADLP CNC(=O)NC(=O)C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000592183753 355136732 /nfs/dbraw/zinc/13/67/32/355136732.db2.gz WIGXFBZWLTTZCI-UHFFFAOYSA-N 2 2 284.360 -0.761 20 0 CBADLP CNC(=O)NC(=O)C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000592183753 355136735 /nfs/dbraw/zinc/13/67/35/355136735.db2.gz WIGXFBZWLTTZCI-UHFFFAOYSA-N 2 2 284.360 -0.761 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000592181131 355136797 /nfs/dbraw/zinc/13/67/97/355136797.db2.gz CYPIIKVBNFIRQT-SNVBAGLBSA-N 2 2 284.360 -0.634 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000592181131 355136799 /nfs/dbraw/zinc/13/67/99/355136799.db2.gz CYPIIKVBNFIRQT-SNVBAGLBSA-N 2 2 284.360 -0.634 20 0 CBADLP COC(=O)c1ccc(CN2CC[N@H+](C)C[C@H]2C[NH3+])[nH]1 ZINC000592434567 355153833 /nfs/dbraw/zinc/15/38/33/355153833.db2.gz LMYXJTMXFBNZRN-LLVKDONJSA-N 2 2 266.345 -0.124 20 0 CBADLP COC(=O)c1ccc(CN2CC[N@@H+](C)C[C@H]2C[NH3+])[nH]1 ZINC000592434567 355153837 /nfs/dbraw/zinc/15/38/37/355153837.db2.gz LMYXJTMXFBNZRN-LLVKDONJSA-N 2 2 266.345 -0.124 20 0 CBADLP CC1([NH3+])CC[NH+](CC(=O)NC(=O)NC2CC2)CC1 ZINC000592485065 355156197 /nfs/dbraw/zinc/15/61/97/355156197.db2.gz PYSUTQRBCGZFGU-UHFFFAOYSA-N 2 2 254.334 -0.212 20 0 CBADLP CCOC(=O)C(C)(C)NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000593904578 355226859 /nfs/dbraw/zinc/22/68/59/355226859.db2.gz ZTDJFMFYIKAOTC-VIFPVBQESA-N 2 2 259.350 -0.277 20 0 CBADLP COC(=O)[C@@]1(C)CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000593907920 355227181 /nfs/dbraw/zinc/22/71/81/355227181.db2.gz VXHWRVQHIOFWFF-MFKMUULPSA-N 2 2 271.361 -0.323 20 0 CBADLP COC(=O)[C@H]1CC[C@@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000593905851 355227211 /nfs/dbraw/zinc/22/72/11/355227211.db2.gz COKGQTBWMTYABH-AXFHLTTASA-N 2 2 271.361 -0.277 20 0 CBADLP COC(=O)[C@H](CNC(=O)[C@H]([NH3+])CC[NH+](C)C)CC1CC1 ZINC000593916935 355230032 /nfs/dbraw/zinc/23/00/32/355230032.db2.gz RURWVMMFHNXUJC-NWDGAFQWSA-N 2 2 285.388 -0.029 20 0 CBADLP CCc1nn(C)cc1C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000594736686 355259309 /nfs/dbraw/zinc/25/93/09/355259309.db2.gz LNNVOFLZOXEZGQ-NWDGAFQWSA-N 2 2 277.372 -0.274 20 0 CBADLP CCc1nn(C)cc1C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000594736686 355259312 /nfs/dbraw/zinc/25/93/12/355259312.db2.gz LNNVOFLZOXEZGQ-NWDGAFQWSA-N 2 2 277.372 -0.274 20 0 CBADLP [NH3+][C@@H]1C[C@H]2C[N@H+](CC(=O)N3CCCCCC3)CCN2C1=O ZINC000594873956 355265818 /nfs/dbraw/zinc/26/58/18/355265818.db2.gz XFXRRYAXGRTSLM-QWHCGFSZSA-N 2 2 294.399 -0.367 20 0 CBADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](CC(=O)N3CCCCCC3)CCN2C1=O ZINC000594873956 355265822 /nfs/dbraw/zinc/26/58/22/355265822.db2.gz XFXRRYAXGRTSLM-QWHCGFSZSA-N 2 2 294.399 -0.367 20 0 CBADLP CC1CCN(C(=O)C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC1 ZINC000594874315 355265894 /nfs/dbraw/zinc/26/58/94/355265894.db2.gz VLOWMNUMBHGIDZ-STQMWFEESA-N 2 2 294.399 -0.511 20 0 CBADLP CC1CCN(C(=O)C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC1 ZINC000594874315 355265897 /nfs/dbraw/zinc/26/58/97/355265897.db2.gz VLOWMNUMBHGIDZ-STQMWFEESA-N 2 2 294.399 -0.511 20 0 CBADLP COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000594917385 355269167 /nfs/dbraw/zinc/26/91/67/355269167.db2.gz JEMJWFXYNQCNBV-GRYCIOLGSA-N 2 2 283.372 -0.452 20 0 CBADLP COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1CCn1cc[nH+]c1C ZINC000595553621 355294776 /nfs/dbraw/zinc/29/47/76/355294776.db2.gz ZZYBKYDBRGPPHU-LBPRGKRZSA-N 2 2 294.355 -0.055 20 0 CBADLP COC(=O)CNC(=O)[C@@H]1CCC[N@H+]1CCn1cc[nH+]c1C ZINC000595553621 355294780 /nfs/dbraw/zinc/29/47/80/355294780.db2.gz ZZYBKYDBRGPPHU-LBPRGKRZSA-N 2 2 294.355 -0.055 20 0 CBADLP COC(=O)[C@@H]1OCC[C@@H]1[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000595659706 355298905 /nfs/dbraw/zinc/29/89/05/355298905.db2.gz QEXBVADXTLJFBG-SDDRHHMPSA-N 2 2 272.345 -0.638 20 0 CBADLP COC(=O)[C@@H]1OCC[C@@H]1[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000595659706 355298909 /nfs/dbraw/zinc/29/89/09/355298909.db2.gz QEXBVADXTLJFBG-SDDRHHMPSA-N 2 2 272.345 -0.638 20 0 CBADLP COC(=O)[C@@](C)(O)C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000595863329 355312911 /nfs/dbraw/zinc/31/29/11/355312911.db2.gz NRYZRVCIIWQJAA-JSGCOSHPSA-N 2 2 286.372 -0.559 20 0 CBADLP COC(=O)[C@@](C)(O)C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000595863329 355312912 /nfs/dbraw/zinc/31/29/12/355312912.db2.gz NRYZRVCIIWQJAA-JSGCOSHPSA-N 2 2 286.372 -0.559 20 0 CBADLP C[NH2+]CCC[N@H+](C)[C@@H]1CCN(CCC(=O)OC)C1=O ZINC000595889970 355314667 /nfs/dbraw/zinc/31/46/67/355314667.db2.gz ANQXOAWVJCLXQA-LLVKDONJSA-N 2 2 271.361 -0.308 20 0 CBADLP C[NH2+]CCC[N@@H+](C)[C@@H]1CCN(CCC(=O)OC)C1=O ZINC000595889970 355314670 /nfs/dbraw/zinc/31/46/70/355314670.db2.gz ANQXOAWVJCLXQA-LLVKDONJSA-N 2 2 271.361 -0.308 20 0 CBADLP COC(=O)CCN1CC[C@@H]([N@@H+]2CCCO[C@H](C[NH3+])C2)C1=O ZINC000595894096 355315843 /nfs/dbraw/zinc/31/58/43/355315843.db2.gz UTEWWCHMACWNBE-VXGBXAGGSA-N 2 2 299.371 -0.800 20 0 CBADLP COC(=O)CCN1CC[C@@H]([N@H+]2CCCO[C@H](C[NH3+])C2)C1=O ZINC000595894096 355315844 /nfs/dbraw/zinc/31/58/44/355315844.db2.gz UTEWWCHMACWNBE-VXGBXAGGSA-N 2 2 299.371 -0.800 20 0 CBADLP COC(=O)C[C@H]([NH3+])C(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000595939813 355322495 /nfs/dbraw/zinc/32/24/95/355322495.db2.gz LPWQJYIMUGOPQJ-VWYCJHECSA-N 2 2 287.360 -0.898 20 0 CBADLP COC(=O)C[C@H]([NH3+])C(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000595939813 355322498 /nfs/dbraw/zinc/32/24/98/355322498.db2.gz LPWQJYIMUGOPQJ-VWYCJHECSA-N 2 2 287.360 -0.898 20 0 CBADLP CCn1cc[nH+]c1[C@H](C)NC(=O)[C@@H]([NH3+])CC(=O)OC ZINC000595977358 355334114 /nfs/dbraw/zinc/33/41/14/355334114.db2.gz HWLXQSJVSCWOSW-IUCAKERBSA-N 2 2 268.317 -0.029 20 0 CBADLP COC(=O)C[C@@]1([NH2+]C[C@@H](O)C[N@H+](C)C(C)C)CCOC1 ZINC000595442206 355286940 /nfs/dbraw/zinc/28/69/40/355286940.db2.gz QGVCDTXGHWGVNQ-OCCSQVGLSA-N 2 2 288.388 -0.001 20 0 CBADLP COC(=O)C[C@@]1([NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)CCOC1 ZINC000595442206 355286943 /nfs/dbraw/zinc/28/69/43/355286943.db2.gz QGVCDTXGHWGVNQ-OCCSQVGLSA-N 2 2 288.388 -0.001 20 0 CBADLP NC(=O)NC(=O)CC[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000595470787 355288234 /nfs/dbraw/zinc/28/82/34/355288234.db2.gz SNHUQMGRSVDOGR-GFCCVEGCSA-N 2 2 298.387 -0.242 20 0 CBADLP NC(=O)NC(=O)CC[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000595470787 355288239 /nfs/dbraw/zinc/28/82/39/355288239.db2.gz SNHUQMGRSVDOGR-GFCCVEGCSA-N 2 2 298.387 -0.242 20 0 CBADLP COC(=O)[C@H]1CN(C(=O)C2([NH+](C)C)CC2)CC[N@H+](C)C1 ZINC000597775932 355418308 /nfs/dbraw/zinc/41/83/08/355418308.db2.gz XACSOJVSOWATTM-LLVKDONJSA-N 2 2 283.372 -0.356 20 0 CBADLP COC(=O)[C@H]1CN(C(=O)C2([NH+](C)C)CC2)CC[N@@H+](C)C1 ZINC000597775932 355418311 /nfs/dbraw/zinc/41/83/11/355418311.db2.gz XACSOJVSOWATTM-LLVKDONJSA-N 2 2 283.372 -0.356 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@](OC)(C(=O)OC)C1 ZINC000599557801 355498699 /nfs/dbraw/zinc/49/86/99/355498699.db2.gz CBLATCZQGYIIIQ-DGCLKSJQSA-N 2 2 274.361 -0.437 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@](OC)(C(=O)OC)C1 ZINC000599557801 355498701 /nfs/dbraw/zinc/49/87/01/355498701.db2.gz CBLATCZQGYIIIQ-DGCLKSJQSA-N 2 2 274.361 -0.437 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@](OC)(C(=O)OC)C1 ZINC000599557801 355498704 /nfs/dbraw/zinc/49/87/04/355498704.db2.gz CBLATCZQGYIIIQ-DGCLKSJQSA-N 2 2 274.361 -0.437 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@](OC)(C(=O)OC)C1 ZINC000599557801 355498707 /nfs/dbraw/zinc/49/87/07/355498707.db2.gz CBLATCZQGYIIIQ-DGCLKSJQSA-N 2 2 274.361 -0.437 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)CN1CC[NH+](C)CC1 ZINC000599310898 355479037 /nfs/dbraw/zinc/47/90/37/355479037.db2.gz ATAXIWYXWXSUPC-ZDUSSCGKSA-N 2 2 284.404 -0.929 20 0 CBADLP Cc1nccnc1C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000601326919 355586264 /nfs/dbraw/zinc/58/62/64/355586264.db2.gz XPGQMAADXBFFHX-MNOVXSKESA-N 2 2 261.329 -0.471 20 0 CBADLP Cc1nccnc1C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000601326919 355586266 /nfs/dbraw/zinc/58/62/66/355586266.db2.gz XPGQMAADXBFFHX-MNOVXSKESA-N 2 2 261.329 -0.471 20 0 CBADLP Cc1nccnc1C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000601326920 355586356 /nfs/dbraw/zinc/58/63/56/355586356.db2.gz XPGQMAADXBFFHX-QWRGUYRKSA-N 2 2 261.329 -0.471 20 0 CBADLP Cc1nccnc1C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000601326920 355586359 /nfs/dbraw/zinc/58/63/59/355586359.db2.gz XPGQMAADXBFFHX-QWRGUYRKSA-N 2 2 261.329 -0.471 20 0 CBADLP COC(=O)CN(C)C(=O)CC[N@@H+]1C[C@@H]([NH3+])C[C@@H]1C ZINC000601330560 355587299 /nfs/dbraw/zinc/58/72/99/355587299.db2.gz UVSHUIHJFPSLSD-UWVGGRQHSA-N 2 2 257.334 -0.571 20 0 CBADLP COC(=O)CN(C)C(=O)CC[N@H+]1C[C@@H]([NH3+])C[C@@H]1C ZINC000601330560 355587302 /nfs/dbraw/zinc/58/73/02/355587302.db2.gz UVSHUIHJFPSLSD-UWVGGRQHSA-N 2 2 257.334 -0.571 20 0 CBADLP COC(=O)CN(C)C(=O)CC[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000601328391 355587600 /nfs/dbraw/zinc/58/76/00/355587600.db2.gz OATDVUUPLZAABP-RISCZKNCSA-N 2 2 283.372 -0.260 20 0 CBADLP NC(=O)NC(=O)CC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000601334488 355588466 /nfs/dbraw/zinc/58/84/66/355588466.db2.gz LLTAXEHMDSWWAE-ZJUUUORDSA-N 2 2 254.334 -0.355 20 0 CBADLP NC(=O)NC(=O)CC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000601334488 355588471 /nfs/dbraw/zinc/58/84/71/355588471.db2.gz LLTAXEHMDSWWAE-ZJUUUORDSA-N 2 2 254.334 -0.355 20 0 CBADLP CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000601333801 355588612 /nfs/dbraw/zinc/58/86/12/355588612.db2.gz VICCVHARTKFVLI-BREBYQMCSA-N 2 2 268.361 -0.048 20 0 CBADLP CC(C)(C)CNC(=O)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000600712072 355562779 /nfs/dbraw/zinc/56/27/79/355562779.db2.gz VXZOHCJHROSKFY-QWRGUYRKSA-N 2 2 282.388 -0.608 20 0 CBADLP CC(C)(C)CNC(=O)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000600712072 355562783 /nfs/dbraw/zinc/56/27/83/355562783.db2.gz VXZOHCJHROSKFY-QWRGUYRKSA-N 2 2 282.388 -0.608 20 0 CBADLP CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000600749421 355565024 /nfs/dbraw/zinc/56/50/24/355565024.db2.gz QLOJWLUEMVKONY-TVYUQYBPSA-N 2 2 268.361 -0.238 20 0 CBADLP CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000600749421 355565028 /nfs/dbraw/zinc/56/50/28/355565028.db2.gz QLOJWLUEMVKONY-TVYUQYBPSA-N 2 2 268.361 -0.238 20 0 CBADLP COc1ccc[nH+]c1N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000600946741 355571501 /nfs/dbraw/zinc/57/15/01/355571501.db2.gz HSYZTZHFJXWUMH-UWVGGRQHSA-N 2 2 262.313 -0.162 20 0 CBADLP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000600978964 355573196 /nfs/dbraw/zinc/57/31/96/355573196.db2.gz OUASCAJZOKUEAC-VXGBXAGGSA-N 2 2 255.362 -0.083 20 0 CBADLP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000600978964 355573202 /nfs/dbraw/zinc/57/32/02/355573202.db2.gz OUASCAJZOKUEAC-VXGBXAGGSA-N 2 2 255.362 -0.083 20 0 CBADLP C[NH+]1CCO[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000600978964 355573203 /nfs/dbraw/zinc/57/32/03/355573203.db2.gz OUASCAJZOKUEAC-VXGBXAGGSA-N 2 2 255.362 -0.083 20 0 CBADLP C[NH+]1CCO[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000600978964 355573207 /nfs/dbraw/zinc/57/32/07/355573207.db2.gz OUASCAJZOKUEAC-VXGBXAGGSA-N 2 2 255.362 -0.083 20 0 CBADLP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000600978962 355573495 /nfs/dbraw/zinc/57/34/95/355573495.db2.gz OUASCAJZOKUEAC-RYUDHWBXSA-N 2 2 255.362 -0.083 20 0 CBADLP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000600978962 355573499 /nfs/dbraw/zinc/57/34/99/355573499.db2.gz OUASCAJZOKUEAC-RYUDHWBXSA-N 2 2 255.362 -0.083 20 0 CBADLP C[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000600978962 355573503 /nfs/dbraw/zinc/57/35/03/355573503.db2.gz OUASCAJZOKUEAC-RYUDHWBXSA-N 2 2 255.362 -0.083 20 0 CBADLP C[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000600978962 355573506 /nfs/dbraw/zinc/57/35/06/355573506.db2.gz OUASCAJZOKUEAC-RYUDHWBXSA-N 2 2 255.362 -0.083 20 0 CBADLP CSCC[C@H]([NH3+])C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000602546928 355660136 /nfs/dbraw/zinc/66/01/36/355660136.db2.gz NFBCBKQPAYVDNH-UWVGGRQHSA-N 2 2 261.391 -0.486 20 0 CBADLP CSCC[C@H]([NH3+])C(=O)NC[C@H]1COCC[N@H+]1C ZINC000602546928 355660140 /nfs/dbraw/zinc/66/01/40/355660140.db2.gz NFBCBKQPAYVDNH-UWVGGRQHSA-N 2 2 261.391 -0.486 20 0 CBADLP COC(=O)C[C@H]([NH3+])C(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000601850916 355618832 /nfs/dbraw/zinc/61/88/32/355618832.db2.gz IHCQYLNUPRSTPL-WDEREUQCSA-N 2 2 271.361 -0.325 20 0 CBADLP COC(=O)C[C@H]([NH3+])C(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000601850916 355618834 /nfs/dbraw/zinc/61/88/34/355618834.db2.gz IHCQYLNUPRSTPL-WDEREUQCSA-N 2 2 271.361 -0.325 20 0 CBADLP COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000602023497 355625814 /nfs/dbraw/zinc/62/58/14/355625814.db2.gz WOWZYDZUWKCCLB-XWLWVQCSSA-N 2 2 271.361 -0.217 20 0 CBADLP COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000602022936 355625960 /nfs/dbraw/zinc/62/59/60/355625960.db2.gz UCWNJLXNNRCDEH-RCWTZXSCSA-N 2 2 271.361 -0.360 20 0 CBADLP COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000602023493 355626053 /nfs/dbraw/zinc/62/60/53/355626053.db2.gz WOWZYDZUWKCCLB-RCWTZXSCSA-N 2 2 271.361 -0.217 20 0 CBADLP [NH3+][C@@H]1C[C@H]2C[N@H+](Cc3ccns3)CCN2C1=O ZINC000603427827 355715406 /nfs/dbraw/zinc/71/54/06/355715406.db2.gz GBMGAZQVNRHPSC-WCBMZHEXSA-N 2 2 252.343 -0.113 20 0 CBADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](Cc3ccns3)CCN2C1=O ZINC000603427827 355715409 /nfs/dbraw/zinc/71/54/09/355715409.db2.gz GBMGAZQVNRHPSC-WCBMZHEXSA-N 2 2 252.343 -0.113 20 0 CBADLP COC(=O)CN1CC[NH+](CCc2c[nH+]cn2C)CC1 ZINC000602812379 355673559 /nfs/dbraw/zinc/67/35/59/355673559.db2.gz PYYZRXFBQCOJNJ-UHFFFAOYSA-N 2 2 266.345 -0.247 20 0 CBADLP COC(=O)[C@@](C)(O)C[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000602875949 355679132 /nfs/dbraw/zinc/67/91/32/355679132.db2.gz CEYNMKQJMIHTHG-STQMWFEESA-N 2 2 274.361 -0.701 20 0 CBADLP COC(=O)[C@@](C)(O)C[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000602875949 355679133 /nfs/dbraw/zinc/67/91/33/355679133.db2.gz CEYNMKQJMIHTHG-STQMWFEESA-N 2 2 274.361 -0.701 20 0 CBADLP CC(C[NH+]1C[C@H]2C[NH2+]C[C@H]2C1)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000605575565 355735838 /nfs/dbraw/zinc/73/58/38/355735838.db2.gz HNROONTYVKQOMT-GEEKYZPCSA-N 4 2 278.444 -0.075 20 0 CBADLP CC(C[NH+]1C[C@H]2C[NH2+]C[C@H]2C1)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000605575565 355735841 /nfs/dbraw/zinc/73/58/41/355735841.db2.gz HNROONTYVKQOMT-GEEKYZPCSA-N 2 2 278.444 -0.075 20 0 CBADLP C[C@H](C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000605575569 355735881 /nfs/dbraw/zinc/73/58/81/355735881.db2.gz HNROONTYVKQOMT-QMHWVQJVSA-N 4 2 278.444 -0.075 20 0 CBADLP C[C@H](C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000605575569 355735884 /nfs/dbraw/zinc/73/58/84/355735884.db2.gz HNROONTYVKQOMT-QMHWVQJVSA-N 4 2 278.444 -0.075 20 0 CBADLP C(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000607151005 355745918 /nfs/dbraw/zinc/74/59/18/355745918.db2.gz ZSTUQNQBBGCBPG-AJNGGQMLSA-N 4 2 264.417 -0.321 20 0 CBADLP CCOC(=O)CN(C)C(=O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000609536195 355770352 /nfs/dbraw/zinc/77/03/52/355770352.db2.gz FIWGTOVOFSIWDZ-PHIMTYICSA-N 2 2 269.345 -0.841 20 0 CBADLP CCOC(=O)CN(C)C(=O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000609536195 355770358 /nfs/dbraw/zinc/77/03/58/355770358.db2.gz FIWGTOVOFSIWDZ-PHIMTYICSA-N 2 2 269.345 -0.841 20 0 CBADLP CC(C)(C)OC(=O)CNC(=O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000612061109 355822196 /nfs/dbraw/zinc/82/21/96/355822196.db2.gz UGEBYLUBXUPZHU-GHMZBOCLSA-N 2 2 283.372 -0.405 20 0 CBADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CC23CC[NH2+]CC3)[C@@H](C[NH3+])C1 ZINC000612994405 355860346 /nfs/dbraw/zinc/86/03/46/355860346.db2.gz SNHVVSIWCCPPOW-NWDGAFQWSA-N 3 2 281.404 -0.587 20 0 CBADLP C[N@H+]1CCN(C(=O)N[C@@H]2CC23CC[NH2+]CC3)[C@@H](C[NH3+])C1 ZINC000612994405 355860348 /nfs/dbraw/zinc/86/03/48/355860348.db2.gz SNHVVSIWCCPPOW-NWDGAFQWSA-N 3 2 281.404 -0.587 20 0 CBADLP C[NH+](C)C[C@@H](CO)NC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000614851667 355991098 /nfs/dbraw/zinc/99/10/98/355991098.db2.gz KGRJODLGXRSBPW-VIFPVBQESA-N 2 2 254.334 -0.274 20 0 CBADLP C[NH+](C)C[C@@H](CO)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000614851394 355991141 /nfs/dbraw/zinc/99/11/41/355991141.db2.gz IKXADOBZPGNZRM-QWRGUYRKSA-N 2 2 266.345 -0.516 20 0 CBADLP C[NH+]1CCC(CC(=O)N[C@@H](CO)C[NH+]2CCOCC2)CC1 ZINC000614409614 355955822 /nfs/dbraw/zinc/95/58/22/355955822.db2.gz JBGOOGLDMIUQHY-CQSZACIVSA-N 2 2 299.415 -0.472 20 0 CBADLP Cc1[nH]c[nH+]c1CC(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000614504783 355964104 /nfs/dbraw/zinc/96/41/04/355964104.db2.gz FQONWGYOTLYULY-GFCCVEGCSA-N 2 2 277.372 -0.233 20 0 CBADLP Cc1[nH]c[nH+]c1CC(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000614504783 355964105 /nfs/dbraw/zinc/96/41/05/355964105.db2.gz FQONWGYOTLYULY-GFCCVEGCSA-N 2 2 277.372 -0.233 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000614504783 355964108 /nfs/dbraw/zinc/96/41/08/355964108.db2.gz FQONWGYOTLYULY-GFCCVEGCSA-N 2 2 277.372 -0.233 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000614504783 355964111 /nfs/dbraw/zinc/96/41/11/355964111.db2.gz FQONWGYOTLYULY-GFCCVEGCSA-N 2 2 277.372 -0.233 20 0 CBADLP CCN1OC[C@H]([N@@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)C1=O ZINC000616015872 356063263 /nfs/dbraw/zinc/06/32/63/356063263.db2.gz FMCDHHWPOSJKKV-KGLIPLIRSA-N 2 2 296.415 -0.140 20 0 CBADLP CCN1OC[C@H]([N@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)C1=O ZINC000616015872 356063265 /nfs/dbraw/zinc/06/32/65/356063265.db2.gz FMCDHHWPOSJKKV-KGLIPLIRSA-N 2 2 296.415 -0.140 20 0 CBADLP C[C@@H](C(=O)N1CC(C[NH+](C)C)C1)[NH+]1CCN(C)CC1 ZINC000615510803 356037417 /nfs/dbraw/zinc/03/74/17/356037417.db2.gz XKPYHKPIIDXANS-LBPRGKRZSA-N 2 2 268.405 -0.358 20 0 CBADLP C[NH+](C)CC(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000615553758 356039134 /nfs/dbraw/zinc/03/91/34/356039134.db2.gz UBVQACMEUGLEBD-GFCCVEGCSA-N 2 2 255.362 -0.129 20 0 CBADLP C[NH+](C)[C@H]1CN(C(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)C[C@@H]1O ZINC000615080173 356009240 /nfs/dbraw/zinc/00/92/40/356009240.db2.gz OSFBAQUZGSYPRU-ICCXJUOJSA-N 2 2 278.356 -0.352 20 0 CBADLP C[NH+](C)[C@H]1CN(C(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)C[C@@H]1O ZINC000615080173 356009242 /nfs/dbraw/zinc/00/92/42/356009242.db2.gz OSFBAQUZGSYPRU-ICCXJUOJSA-N 2 2 278.356 -0.352 20 0 CBADLP CC[N@@H+]1CCOC[C@H]1C(=O)N1CC(C[NH+]2CCOCC2)C1 ZINC000615145007 356011102 /nfs/dbraw/zinc/01/11/02/356011102.db2.gz LWGHCBHSCVPSSY-AWEZNQCLSA-N 2 2 297.399 -0.502 20 0 CBADLP CC[N@H+]1CCOC[C@H]1C(=O)N1CC(C[NH+]2CCOCC2)C1 ZINC000615145007 356011105 /nfs/dbraw/zinc/01/11/05/356011105.db2.gz LWGHCBHSCVPSSY-AWEZNQCLSA-N 2 2 297.399 -0.502 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH+]2C[C@@H](C)OC[C@@H]2C)C1 ZINC000617733948 356152653 /nfs/dbraw/zinc/15/26/53/356152653.db2.gz XWNIBVVJLSOCKN-MJBXVCDLSA-N 2 2 299.415 -0.068 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)NCC[NH+]2C[C@@H](C)OC[C@@H]2C)C1 ZINC000617733948 356152654 /nfs/dbraw/zinc/15/26/54/356152654.db2.gz XWNIBVVJLSOCKN-MJBXVCDLSA-N 2 2 299.415 -0.068 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)C1 ZINC000617733948 356152656 /nfs/dbraw/zinc/15/26/56/356152656.db2.gz XWNIBVVJLSOCKN-MJBXVCDLSA-N 2 2 299.415 -0.068 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)C1 ZINC000617733948 356152657 /nfs/dbraw/zinc/15/26/57/356152657.db2.gz XWNIBVVJLSOCKN-MJBXVCDLSA-N 2 2 299.415 -0.068 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000617763394 356155179 /nfs/dbraw/zinc/15/51/79/356155179.db2.gz PJXSMGVAIGLCNE-ITGUQSILSA-N 2 2 269.389 -0.122 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000617763394 356155180 /nfs/dbraw/zinc/15/51/80/356155180.db2.gz PJXSMGVAIGLCNE-ITGUQSILSA-N 2 2 269.389 -0.122 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1CCCC(=O)N1 ZINC000617764032 356155186 /nfs/dbraw/zinc/15/51/86/356155186.db2.gz GLGZPDGGJXBOKK-GFCCVEGCSA-N 2 2 284.404 -0.345 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1CCCC(=O)N1 ZINC000617764032 356155187 /nfs/dbraw/zinc/15/51/87/356155187.db2.gz GLGZPDGGJXBOKK-GFCCVEGCSA-N 2 2 284.404 -0.345 20 0 CBADLP CN1C(=O)CC[C@H]1CC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617761909 356155314 /nfs/dbraw/zinc/15/53/14/356155314.db2.gz CAHJXCSAPACEKS-ZDUSSCGKSA-N 2 2 298.431 -0.003 20 0 CBADLP CN1C(=O)CC[C@H]1CC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617761909 356155319 /nfs/dbraw/zinc/15/53/19/356155319.db2.gz CAHJXCSAPACEKS-ZDUSSCGKSA-N 2 2 298.431 -0.003 20 0 CBADLP Cn1cc(CCC(=O)NCC[N@H+](C)CCC[NH+](C)C)nn1 ZINC000617763153 356155357 /nfs/dbraw/zinc/15/53/57/356155357.db2.gz HEUBQULUGGVIIO-UHFFFAOYSA-N 2 2 296.419 -0.253 20 0 CBADLP Cn1cc(CCC(=O)NCC[N@@H+](C)CCC[NH+](C)C)nn1 ZINC000617763153 356155359 /nfs/dbraw/zinc/15/53/59/356155359.db2.gz HEUBQULUGGVIIO-UHFFFAOYSA-N 2 2 296.419 -0.253 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@]1(O)CCOC1 ZINC000617762461 356155725 /nfs/dbraw/zinc/15/57/25/356155725.db2.gz PIEKZJPEZZQFHG-ZDUSSCGKSA-N 2 2 273.377 -0.863 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@]1(O)CCOC1 ZINC000617762461 356155730 /nfs/dbraw/zinc/15/57/30/356155730.db2.gz PIEKZJPEZZQFHG-ZDUSSCGKSA-N 2 2 273.377 -0.863 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1c[nH]c(C(N)=O)c1 ZINC000617767423 356156719 /nfs/dbraw/zinc/15/67/19/356156719.db2.gz URLMZBIBZUNPRN-UHFFFAOYSA-N 2 2 295.387 -0.273 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1c[nH]c(C(N)=O)c1 ZINC000617767423 356156722 /nfs/dbraw/zinc/15/67/22/356156722.db2.gz URLMZBIBZUNPRN-UHFFFAOYSA-N 2 2 295.387 -0.273 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cn1ccccc1=O ZINC000617768807 356156732 /nfs/dbraw/zinc/15/67/32/356156732.db2.gz VTBOBAYDBNRWJP-UHFFFAOYSA-N 2 2 294.399 -0.152 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cn1ccccc1=O ZINC000617768807 356156735 /nfs/dbraw/zinc/15/67/35/356156735.db2.gz VTBOBAYDBNRWJP-UHFFFAOYSA-N 2 2 294.399 -0.152 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CN1CCOCC1 ZINC000617765828 356156783 /nfs/dbraw/zinc/15/67/83/356156783.db2.gz RRHYGCVZVIPNCL-UHFFFAOYSA-N 2 2 286.420 -0.682 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CN1CCOCC1 ZINC000617765828 356156784 /nfs/dbraw/zinc/15/67/84/356156784.db2.gz RRHYGCVZVIPNCL-UHFFFAOYSA-N 2 2 286.420 -0.682 20 0 CBADLP CC(=O)NCC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617768810 356156804 /nfs/dbraw/zinc/15/68/04/356156804.db2.gz VUTVWDRHRQUTGA-UHFFFAOYSA-N 2 2 258.366 -0.878 20 0 CBADLP CC(=O)NCC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617768810 356156807 /nfs/dbraw/zinc/15/68/07/356156807.db2.gz VUTVWDRHRQUTGA-UHFFFAOYSA-N 2 2 258.366 -0.878 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1COCCO1 ZINC000617767871 356156920 /nfs/dbraw/zinc/15/69/20/356156920.db2.gz GNWMEXQAZWPFHZ-GFCCVEGCSA-N 2 2 273.377 -0.599 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1COCCO1 ZINC000617767871 356156925 /nfs/dbraw/zinc/15/69/25/356156925.db2.gz GNWMEXQAZWPFHZ-GFCCVEGCSA-N 2 2 273.377 -0.599 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@]1(O)CCSC1 ZINC000617765897 356156987 /nfs/dbraw/zinc/15/69/87/356156987.db2.gz VHCBGHHYSZOMBP-CYBMUJFWSA-N 2 2 289.445 -0.146 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@]1(O)CCSC1 ZINC000617765897 356156990 /nfs/dbraw/zinc/15/69/90/356156990.db2.gz VHCBGHHYSZOMBP-CYBMUJFWSA-N 2 2 289.445 -0.146 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C1(C(N)=O)CC1 ZINC000617766355 356157090 /nfs/dbraw/zinc/15/70/90/356157090.db2.gz HGHZTHWXZMUEKQ-UHFFFAOYSA-N 2 2 270.377 -0.748 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C1(C(N)=O)CC1 ZINC000617766355 356157092 /nfs/dbraw/zinc/15/70/92/356157092.db2.gz HGHZTHWXZMUEKQ-UHFFFAOYSA-N 2 2 270.377 -0.748 20 0 CBADLP C[C@H](NC(=O)[C@H]1C[C@H](F)C[NH2+]1)[C@H](C)[NH+]1CCOCC1 ZINC000188759606 299237384 /nfs/dbraw/zinc/23/73/84/299237384.db2.gz GSLFDVTUNGCKOE-FIQHERPVSA-N 2 2 273.352 -0.088 20 0 CBADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1nnc[nH]1 ZINC000617506218 356139098 /nfs/dbraw/zinc/13/90/98/356139098.db2.gz FXXMVUDDFUMGNC-JTQLQIEISA-N 2 2 268.365 -0.194 20 0 CBADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1nnc[nH]1 ZINC000617506218 356139099 /nfs/dbraw/zinc/13/90/99/356139099.db2.gz FXXMVUDDFUMGNC-JTQLQIEISA-N 2 2 268.365 -0.194 20 0 CBADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ncn[nH]1 ZINC000617506218 356139103 /nfs/dbraw/zinc/13/91/03/356139103.db2.gz FXXMVUDDFUMGNC-JTQLQIEISA-N 2 2 268.365 -0.194 20 0 CBADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ncn[nH]1 ZINC000617506218 356139105 /nfs/dbraw/zinc/13/91/05/356139105.db2.gz FXXMVUDDFUMGNC-JTQLQIEISA-N 2 2 268.365 -0.194 20 0 CBADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1nc[nH]n1 ZINC000617506218 356139109 /nfs/dbraw/zinc/13/91/09/356139109.db2.gz FXXMVUDDFUMGNC-JTQLQIEISA-N 2 2 268.365 -0.194 20 0 CBADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1nc[nH]n1 ZINC000617506218 356139112 /nfs/dbraw/zinc/13/91/12/356139112.db2.gz FXXMVUDDFUMGNC-JTQLQIEISA-N 2 2 268.365 -0.194 20 0 CBADLP COC(=O)C(C)(C)CC[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000619425849 356215897 /nfs/dbraw/zinc/21/58/97/356215897.db2.gz FTRFHYAKKLAELI-UHFFFAOYSA-N 2 2 285.388 -0.061 20 0 CBADLP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)CCc1c[nH+]c[nH]1 ZINC000618307715 356186384 /nfs/dbraw/zinc/18/63/84/356186384.db2.gz QOHRIBVNKOXWNB-UHFFFAOYSA-N 2 2 295.387 -0.179 20 0 CBADLP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)CCc1c[nH]c[nH+]1 ZINC000618307715 356186385 /nfs/dbraw/zinc/18/63/85/356186385.db2.gz QOHRIBVNKOXWNB-UHFFFAOYSA-N 2 2 295.387 -0.179 20 0 CBADLP CNS(=O)(=O)CC[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000621323208 356272304 /nfs/dbraw/zinc/27/23/04/356272304.db2.gz WCWRWZPVUJKJFO-GFCCVEGCSA-N 2 2 293.433 -0.422 20 0 CBADLP CNS(=O)(=O)CC[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000621323208 356272306 /nfs/dbraw/zinc/27/23/06/356272306.db2.gz WCWRWZPVUJKJFO-GFCCVEGCSA-N 2 2 293.433 -0.422 20 0 CBADLP [NH3+][C@@]12CCC[C@@H]1C[N@H+](CCC(=O)N1CC[NH2+]CC1)C2 ZINC000621784309 356284393 /nfs/dbraw/zinc/28/43/93/356284393.db2.gz MTNPEGMWXYHPTC-TZMCWYRMSA-N 3 2 266.389 -0.379 20 0 CBADLP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](CCC(=O)N1CC[NH2+]CC1)C2 ZINC000621784309 356284396 /nfs/dbraw/zinc/28/43/96/356284396.db2.gz MTNPEGMWXYHPTC-TZMCWYRMSA-N 3 2 266.389 -0.379 20 0 CBADLP CNS(=O)(=O)CCC[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621781903 356284431 /nfs/dbraw/zinc/28/44/31/356284431.db2.gz JVBKDJNSFWQOGI-MNOVXSKESA-N 2 2 261.391 -0.261 20 0 CBADLP CNS(=O)(=O)CCC[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621781903 356284433 /nfs/dbraw/zinc/28/44/33/356284433.db2.gz JVBKDJNSFWQOGI-MNOVXSKESA-N 2 2 261.391 -0.261 20 0 CBADLP Cn1c(C[N@@H+]2C[C@H]3CCC[C@]3([NH3+])C2)cc(=O)n(C)c1=O ZINC000621779500 356284439 /nfs/dbraw/zinc/28/44/39/356284439.db2.gz FVVFRGZZBHHTPA-YGRLFVJLSA-N 2 2 278.356 -0.603 20 0 CBADLP Cn1c(C[N@H+]2C[C@H]3CCC[C@]3([NH3+])C2)cc(=O)n(C)c1=O ZINC000621779500 356284441 /nfs/dbraw/zinc/28/44/41/356284441.db2.gz FVVFRGZZBHHTPA-YGRLFVJLSA-N 2 2 278.356 -0.603 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000621784599 356284975 /nfs/dbraw/zinc/28/49/75/356284975.db2.gz REUHZXIAHVOCMC-ZFWWWQNUSA-N 3 2 280.416 -0.036 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000621784599 356284981 /nfs/dbraw/zinc/28/49/81/356284981.db2.gz REUHZXIAHVOCMC-ZFWWWQNUSA-N 3 2 280.416 -0.036 20 0 CBADLP CC(=O)N1CC[C@@H]([NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000622044599 356303028 /nfs/dbraw/zinc/30/30/28/356303028.db2.gz LRUZTKJWLFGKJK-RDBSUJKOSA-N 2 2 267.373 -0.036 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(C(N)=O)[nH]1 ZINC000622143648 356310036 /nfs/dbraw/zinc/31/00/36/356310036.db2.gz DFKSZSUOXOLBFV-UHFFFAOYSA-N 2 2 295.387 -0.273 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(C(N)=O)[nH]1 ZINC000622143648 356310040 /nfs/dbraw/zinc/31/00/40/356310040.db2.gz DFKSZSUOXOLBFV-UHFFFAOYSA-N 2 2 295.387 -0.273 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NCC[NH+]1CCOCC1 ZINC000622275638 356313642 /nfs/dbraw/zinc/31/36/42/356313642.db2.gz NAGFHEMQQNZPNH-UHFFFAOYSA-N 2 2 252.318 -0.360 20 0 CBADLP CC[NH+]1CCN(CC(=O)N[C@@H]2Cc3c[nH+]cn3C2)CC1 ZINC000623264444 356358031 /nfs/dbraw/zinc/35/80/31/356358031.db2.gz LRGQKUPAOQARGO-GFCCVEGCSA-N 2 2 277.372 -0.439 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000623477215 356365595 /nfs/dbraw/zinc/36/55/95/356365595.db2.gz CLOWRKJNKFZUNH-NEPJUHHUSA-N 2 2 281.360 -0.099 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@H]1COCC[N@H+]1C ZINC000623477215 356365597 /nfs/dbraw/zinc/36/55/97/356365597.db2.gz CLOWRKJNKFZUNH-NEPJUHHUSA-N 2 2 281.360 -0.099 20 0 CBADLP C[C@@H]1C[NH+](CCCNc2nc(N)[nH+]c(N)n2)C[C@@H](C)O1 ZINC000623830817 356377829 /nfs/dbraw/zinc/37/78/29/356377829.db2.gz CQMRQLUMWMTQPB-RKDXNWHRSA-N 2 2 281.364 -0.970 20 0 CBADLP C[C@@H]1C[NH+](CCCNc2nc(N)nc(N)[nH+]2)C[C@@H](C)O1 ZINC000623830817 356377834 /nfs/dbraw/zinc/37/78/34/356377834.db2.gz CQMRQLUMWMTQPB-RKDXNWHRSA-N 2 2 281.364 -0.970 20 0 CBADLP C[C@H]1C[NH+](C(C)(C)CNc2nc(N)[nH+]c(N)n2)C[C@H](C)O1 ZINC000623829125 356378348 /nfs/dbraw/zinc/37/83/48/356378348.db2.gz XEXOHFQMLJJIQO-IUCAKERBSA-N 2 2 295.391 -0.582 20 0 CBADLP CC[N@@H+]1CC[C@@H](N(C)c2nc(N)nc(N)[nH+]2)[C@H](C)C1 ZINC000623991417 356387339 /nfs/dbraw/zinc/38/73/39/356387339.db2.gz HCAOEBNALRBSSK-RKDXNWHRSA-N 2 2 265.365 -0.137 20 0 CBADLP CC[N@H+]1CC[C@@H](N(C)c2nc(N)nc(N)[nH+]2)[C@H](C)C1 ZINC000623991417 356387343 /nfs/dbraw/zinc/38/73/43/356387343.db2.gz HCAOEBNALRBSSK-RKDXNWHRSA-N 2 2 265.365 -0.137 20 0 CBADLP C[N@@H+]1CC[C@H]2[C@@H](CCCN2c2nc(N)nc(N)[nH+]2)C1 ZINC000624050130 356391708 /nfs/dbraw/zinc/39/17/08/356391708.db2.gz ZLKOPOHPACYNAT-IUCAKERBSA-N 2 2 263.349 -0.383 20 0 CBADLP C[N@H+]1CC[C@H]2[C@@H](CCCN2c2nc(N)nc(N)[nH+]2)C1 ZINC000624050130 356391711 /nfs/dbraw/zinc/39/17/11/356391711.db2.gz ZLKOPOHPACYNAT-IUCAKERBSA-N 2 2 263.349 -0.383 20 0 CBADLP C[N@@H+]1CCC[C@H]2CN(c3nc(N)nc(N)[nH+]3)CC[C@H]21 ZINC000624041341 356392170 /nfs/dbraw/zinc/39/21/70/356392170.db2.gz QVLGEOHPLKISNG-DTWKUNHWSA-N 2 2 263.349 -0.383 20 0 CBADLP C[N@H+]1CCC[C@H]2CN(c3nc(N)nc(N)[nH+]3)CC[C@H]21 ZINC000624041341 356392173 /nfs/dbraw/zinc/39/21/73/356392173.db2.gz QVLGEOHPLKISNG-DTWKUNHWSA-N 2 2 263.349 -0.383 20 0 CBADLP COCC(C)(C)[NH+]1CCN(c2nc(N)[nH+]c(N)n2)CC1 ZINC000624296239 356411347 /nfs/dbraw/zinc/41/13/47/356411347.db2.gz QRGFJOLYCJCTRI-UHFFFAOYSA-N 2 2 281.364 -0.756 20 0 CBADLP Nc1nc(N2CCC[C@@H]([NH+]3CCOCC3)CC2)nc(N)[nH+]1 ZINC000624375012 356415142 /nfs/dbraw/zinc/41/51/42/356415142.db2.gz DOLTZSANGSXRFW-SNVBAGLBSA-N 2 2 293.375 -0.612 20 0 CBADLP Nc1nc(N)[nH+]c(N2CCC[C@@H]([NH+]3CCOCC3)CC2)n1 ZINC000624375012 356415143 /nfs/dbraw/zinc/41/51/43/356415143.db2.gz DOLTZSANGSXRFW-SNVBAGLBSA-N 2 2 293.375 -0.612 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNc1cc[nH+]cc1C(N)=O ZINC000624621076 356428009 /nfs/dbraw/zinc/42/80/09/356428009.db2.gz SRYBMQPWKPDZAA-VIFPVBQESA-N 2 2 250.302 -0.655 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNc1cc[nH+]cc1C(N)=O ZINC000624621076 356428010 /nfs/dbraw/zinc/42/80/10/356428010.db2.gz SRYBMQPWKPDZAA-VIFPVBQESA-N 2 2 250.302 -0.655 20 0 CBADLP C[N@@H+]1CC[C@@H]2CN(C(=O)NC[C@H]3COCC[NH+]3C)C[C@@H]21 ZINC000624729346 356435298 /nfs/dbraw/zinc/43/52/98/356435298.db2.gz FTRPBQMUQZAQQW-AGIUHOORSA-N 2 2 282.388 -0.338 20 0 CBADLP C[N@H+]1CC[C@@H]2CN(C(=O)NC[C@H]3COCC[NH+]3C)C[C@@H]21 ZINC000624729346 356435302 /nfs/dbraw/zinc/43/53/02/356435302.db2.gz FTRPBQMUQZAQQW-AGIUHOORSA-N 2 2 282.388 -0.338 20 0 CBADLP C[NH+]1CC[C@@H]2CN(C(=O)NC[C@H]3COCC[N@@H+]3C)C[C@@H]21 ZINC000624729346 356435305 /nfs/dbraw/zinc/43/53/05/356435305.db2.gz FTRPBQMUQZAQQW-AGIUHOORSA-N 2 2 282.388 -0.338 20 0 CBADLP C[NH+]1CC[C@@H]2CN(C(=O)NC[C@H]3COCC[N@H+]3C)C[C@@H]21 ZINC000624729346 356435309 /nfs/dbraw/zinc/43/53/09/356435309.db2.gz FTRPBQMUQZAQQW-AGIUHOORSA-N 2 2 282.388 -0.338 20 0 CBADLP COCCOCC[N@H+](CCO)Cc1c[nH+]cn1C ZINC000625756845 356491764 /nfs/dbraw/zinc/49/17/64/356491764.db2.gz RIORMSTUGGCLDK-UHFFFAOYSA-N 2 2 257.334 -0.123 20 0 CBADLP COCCOCC[N@@H+](CCO)Cc1c[nH+]cn1C ZINC000625756845 356491765 /nfs/dbraw/zinc/49/17/65/356491765.db2.gz RIORMSTUGGCLDK-UHFFFAOYSA-N 2 2 257.334 -0.123 20 0 CBADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(NS(N)(=O)=O)CC1 ZINC000626035395 356502605 /nfs/dbraw/zinc/50/26/05/356502605.db2.gz NIJQSXCAYKPRPM-LBPRGKRZSA-N 2 2 290.433 -0.272 20 0 CBADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(NS(N)(=O)=O)CC1 ZINC000626035395 356502607 /nfs/dbraw/zinc/50/26/07/356502607.db2.gz NIJQSXCAYKPRPM-LBPRGKRZSA-N 2 2 290.433 -0.272 20 0 CBADLP CC(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000626155483 356515007 /nfs/dbraw/zinc/51/50/07/356515007.db2.gz PXPJUFUULCEZDS-AWEZNQCLSA-N 2 2 296.415 -0.249 20 0 CBADLP CC(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000626155483 356515011 /nfs/dbraw/zinc/51/50/11/356515011.db2.gz PXPJUFUULCEZDS-AWEZNQCLSA-N 2 2 296.415 -0.249 20 0 CBADLP COC[C@@]1(C)C[N@H+](CCC(=O)N2CC[NH+](C)CC2)CCO1 ZINC000626176639 356517208 /nfs/dbraw/zinc/51/72/08/356517208.db2.gz TYNQQRMSSAWSJS-OAHLLOKOSA-N 2 2 299.415 -0.112 20 0 CBADLP COC[C@@]1(C)C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)CCO1 ZINC000626176639 356517212 /nfs/dbraw/zinc/51/72/12/356517212.db2.gz TYNQQRMSSAWSJS-OAHLLOKOSA-N 2 2 299.415 -0.112 20 0 CBADLP CN(CCOCC[NH3+])C(=O)NCCn1cc[nH+]c1 ZINC000626923197 356555909 /nfs/dbraw/zinc/55/59/09/356555909.db2.gz NUTAJGHRHNBOII-UHFFFAOYSA-N 2 2 255.322 -0.500 20 0 CBADLP O=C(NCCCn1cc[nH+]c1)NC[C@@H]1COCC[NH2+]1 ZINC000626918230 356556312 /nfs/dbraw/zinc/55/63/12/356556312.db2.gz VXVHYXJXWAZZSD-LLVKDONJSA-N 2 2 267.333 -0.439 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NCCOCCC[NH3+] ZINC000626934216 356557288 /nfs/dbraw/zinc/55/72/88/356557288.db2.gz CNASETBZVZTEMY-GFCCVEGCSA-N 2 2 288.392 -0.628 20 0 CBADLP CCN(CC[NH3+])C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000626935107 356557313 /nfs/dbraw/zinc/55/73/13/356557313.db2.gz XLXZVUDRVBGFNA-LLVKDONJSA-N 2 2 258.366 -0.303 20 0 CBADLP C[C@@H]1CC[C@H](NC(=O)NC[C@@H]2CN(C)CC[N@@H+]2C)C[NH2+]1 ZINC000626974628 356561866 /nfs/dbraw/zinc/56/18/66/356561866.db2.gz JPGIGVNINXNPEN-FRRDWIJNSA-N 2 2 283.420 -0.328 20 0 CBADLP C[C@@H]1CC[C@H](NC(=O)NC[C@@H]2CN(C)CC[N@H+]2C)C[NH2+]1 ZINC000626974628 356561869 /nfs/dbraw/zinc/56/18/69/356561869.db2.gz JPGIGVNINXNPEN-FRRDWIJNSA-N 2 2 283.420 -0.328 20 0 CBADLP CN(CCOCC[NH3+])C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000627040554 356570052 /nfs/dbraw/zinc/57/00/52/356570052.db2.gz NVDWQNJXQPMKKZ-SNVBAGLBSA-N 2 2 281.360 -0.116 20 0 CBADLP CN(CCOCC[NH3+])C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000627040554 356570053 /nfs/dbraw/zinc/57/00/53/356570053.db2.gz NVDWQNJXQPMKKZ-SNVBAGLBSA-N 2 2 281.360 -0.116 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)NC1CC[NH2+]CC1 ZINC000627061982 356570824 /nfs/dbraw/zinc/57/08/24/356570824.db2.gz URJSRIWJQOZFRW-LLVKDONJSA-N 2 2 256.350 -0.632 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)NC1CC[NH2+]CC1 ZINC000627061982 356570825 /nfs/dbraw/zinc/57/08/25/356570825.db2.gz URJSRIWJQOZFRW-LLVKDONJSA-N 2 2 256.350 -0.632 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000627065763 356571859 /nfs/dbraw/zinc/57/18/59/356571859.db2.gz JZTWYPRQGIXVJY-NWDGAFQWSA-N 2 2 270.377 -0.242 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000627065763 356571864 /nfs/dbraw/zinc/57/18/64/356571864.db2.gz JZTWYPRQGIXVJY-NWDGAFQWSA-N 2 2 270.377 -0.242 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000627067713 356572549 /nfs/dbraw/zinc/57/25/49/356572549.db2.gz DBOPIXPZNYVERV-RYUDHWBXSA-N 2 2 270.377 -0.384 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000627067713 356572552 /nfs/dbraw/zinc/57/25/52/356572552.db2.gz DBOPIXPZNYVERV-RYUDHWBXSA-N 2 2 270.377 -0.384 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000627073134 356573418 /nfs/dbraw/zinc/57/34/18/356573418.db2.gz KUUNYQYZFFACIE-NWDGAFQWSA-N 2 2 270.377 -0.384 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000627073134 356573423 /nfs/dbraw/zinc/57/34/23/356573423.db2.gz KUUNYQYZFFACIE-NWDGAFQWSA-N 2 2 270.377 -0.384 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N[C@H]1CCC[NH2+]C1 ZINC000627076365 356574405 /nfs/dbraw/zinc/57/44/05/356574405.db2.gz XHDYDADYINKUJL-QWRGUYRKSA-N 2 2 256.350 -0.632 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N[C@H]1CCC[NH2+]C1 ZINC000627076365 356574410 /nfs/dbraw/zinc/57/44/10/356574410.db2.gz XHDYDADYINKUJL-QWRGUYRKSA-N 2 2 256.350 -0.632 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)N[C@H](C[NH3+])C1CC1 ZINC000627079685 356576364 /nfs/dbraw/zinc/57/63/64/356576364.db2.gz XBBDEUAZTJIKGH-GHMZBOCLSA-N 2 2 256.350 -0.647 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)N[C@H](C[NH3+])C1CC1 ZINC000627079685 356576367 /nfs/dbraw/zinc/57/63/67/356576367.db2.gz XBBDEUAZTJIKGH-GHMZBOCLSA-N 2 2 256.350 -0.647 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000627079730 356576415 /nfs/dbraw/zinc/57/64/15/356576415.db2.gz XBBDEUAZTJIKGH-QWRGUYRKSA-N 2 2 256.350 -0.647 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000627079730 356576421 /nfs/dbraw/zinc/57/64/21/356576421.db2.gz XBBDEUAZTJIKGH-QWRGUYRKSA-N 2 2 256.350 -0.647 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)NC[C@@H]1CC[NH2+]C1 ZINC000627085178 356578773 /nfs/dbraw/zinc/57/87/73/356578773.db2.gz JINUYGODYAVSHX-GHMZBOCLSA-N 2 2 256.350 -0.774 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)NC[C@@H]1CC[NH2+]C1 ZINC000627085178 356578776 /nfs/dbraw/zinc/57/87/76/356578776.db2.gz JINUYGODYAVSHX-GHMZBOCLSA-N 2 2 256.350 -0.774 20 0 CBADLP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000627087192 356579856 /nfs/dbraw/zinc/57/98/56/356579856.db2.gz HPTXHRPXCQCONC-WOPDTQHZSA-N 2 2 270.377 -0.386 20 0 CBADLP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NC[C@H]1COCC[N@H+]1C ZINC000627087192 356579859 /nfs/dbraw/zinc/57/98/59/356579859.db2.gz HPTXHRPXCQCONC-WOPDTQHZSA-N 2 2 270.377 -0.386 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)NCCC1=CC[NH2+]CC1 ZINC000627088891 356580660 /nfs/dbraw/zinc/58/06/60/356580660.db2.gz FBKCXAWVROHIHE-CYBMUJFWSA-N 2 2 282.388 -0.074 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)NCCC1=CC[NH2+]CC1 ZINC000627088891 356580664 /nfs/dbraw/zinc/58/06/64/356580664.db2.gz FBKCXAWVROHIHE-CYBMUJFWSA-N 2 2 282.388 -0.074 20 0 CBADLP C[C@H]([NH3+])C[C@H](C)NC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000627107857 356584346 /nfs/dbraw/zinc/58/43/46/356584346.db2.gz NQGQGJPSESYPJL-GARJFASQSA-N 2 2 258.366 -0.258 20 0 CBADLP C[C@H]([NH3+])C[C@H](C)NC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000627107857 356584349 /nfs/dbraw/zinc/58/43/49/356584349.db2.gz NQGQGJPSESYPJL-GARJFASQSA-N 2 2 258.366 -0.258 20 0 CBADLP C[C@H](C[C@H](C)[NH3+])NC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000627107855 356584471 /nfs/dbraw/zinc/58/44/71/356584471.db2.gz NQGQGJPSESYPJL-AXFHLTTASA-N 2 2 258.366 -0.258 20 0 CBADLP C[C@H](C[C@H](C)[NH3+])NC(=O)NC[C@H]1COCC[N@H+]1C ZINC000627107855 356584476 /nfs/dbraw/zinc/58/44/76/356584476.db2.gz NQGQGJPSESYPJL-AXFHLTTASA-N 2 2 258.366 -0.258 20 0 CBADLP CC(C)[C@H]([NH3+])CCNC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000627117569 356586138 /nfs/dbraw/zinc/58/61/38/356586138.db2.gz ZDRQKYADTQCMQZ-VXGBXAGGSA-N 2 2 272.393 -0.010 20 0 CBADLP CC(C)[C@H]([NH3+])CCNC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000627117569 356586141 /nfs/dbraw/zinc/58/61/41/356586141.db2.gz ZDRQKYADTQCMQZ-VXGBXAGGSA-N 2 2 272.393 -0.010 20 0 CBADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CO[C@@H](C3CC3)C2)[C@H](C[NH3+])C1 ZINC000627223242 356608575 /nfs/dbraw/zinc/60/85/75/356608575.db2.gz LWLDDSVXQWHEOK-YNEHKIRRSA-N 2 2 282.388 -0.162 20 0 CBADLP C[N@H+]1CCN(C(=O)N[C@@H]2CO[C@@H](C3CC3)C2)[C@H](C[NH3+])C1 ZINC000627223242 356608580 /nfs/dbraw/zinc/60/85/80/356608580.db2.gz LWLDDSVXQWHEOK-YNEHKIRRSA-N 2 2 282.388 -0.162 20 0 CBADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CO[C@H](C3CC3)C2)[C@@H](C[NH3+])C1 ZINC000627223239 356608611 /nfs/dbraw/zinc/60/86/11/356608611.db2.gz LWLDDSVXQWHEOK-AVGNSLFASA-N 2 2 282.388 -0.162 20 0 CBADLP C[N@H+]1CCN(C(=O)N[C@@H]2CO[C@H](C3CC3)C2)[C@@H](C[NH3+])C1 ZINC000627223239 356608614 /nfs/dbraw/zinc/60/86/14/356608614.db2.gz LWLDDSVXQWHEOK-AVGNSLFASA-N 2 2 282.388 -0.162 20 0 CBADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CO[C@@H](C3CC3)C2)[C@@H](C[NH3+])C1 ZINC000627223240 356609108 /nfs/dbraw/zinc/60/91/08/356609108.db2.gz LWLDDSVXQWHEOK-RWMBFGLXSA-N 2 2 282.388 -0.162 20 0 CBADLP C[N@H+]1CCN(C(=O)N[C@@H]2CO[C@@H](C3CC3)C2)[C@@H](C[NH3+])C1 ZINC000627223240 356609111 /nfs/dbraw/zinc/60/91/11/356609111.db2.gz LWLDDSVXQWHEOK-RWMBFGLXSA-N 2 2 282.388 -0.162 20 0 CBADLP O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)N[C@@H]1CC[NH2+]C1 ZINC000627252493 356614037 /nfs/dbraw/zinc/61/40/37/356614037.db2.gz WNWJTFHFUQYTSU-UTUOFQBUSA-N 2 2 268.361 -0.489 20 0 CBADLP O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)N[C@@H]1CC[NH2+]C1 ZINC000627252493 356614043 /nfs/dbraw/zinc/61/40/43/356614043.db2.gz WNWJTFHFUQYTSU-UTUOFQBUSA-N 2 2 268.361 -0.489 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000627183239 356596351 /nfs/dbraw/zinc/59/63/51/356596351.db2.gz INFNBPSGUBPQFD-WCQYABFASA-N 2 2 270.377 -0.303 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000627183239 356596356 /nfs/dbraw/zinc/59/63/56/356596356.db2.gz INFNBPSGUBPQFD-WCQYABFASA-N 2 2 270.377 -0.303 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000627182892 356596462 /nfs/dbraw/zinc/59/64/62/356596462.db2.gz LPJWWLALHHKFFJ-PWSUYJOCSA-N 2 2 256.350 -0.632 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000627182892 356596468 /nfs/dbraw/zinc/59/64/68/356596468.db2.gz LPJWWLALHHKFFJ-PWSUYJOCSA-N 2 2 256.350 -0.632 20 0 CBADLP C[C@@H]1CN(C(=O)NC[C@H]2COCC[N@@H+]2C)CC[NH2+]1 ZINC000627183505 356596493 /nfs/dbraw/zinc/59/64/93/356596493.db2.gz LIOAGTNVCAKBDH-MNOVXSKESA-N 2 2 256.350 -0.680 20 0 CBADLP C[C@@H]1CN(C(=O)NC[C@H]2COCC[N@H+]2C)CC[NH2+]1 ZINC000627183505 356596497 /nfs/dbraw/zinc/59/64/97/356596497.db2.gz LIOAGTNVCAKBDH-MNOVXSKESA-N 2 2 256.350 -0.680 20 0 CBADLP C[C@@H]1CCN(C(=O)NC[C@H]2COCC[N@@H+]2C)C[C@H]1C[NH3+] ZINC000627182759 356596604 /nfs/dbraw/zinc/59/66/04/356596604.db2.gz KAKRUEXAUMDJBZ-UPJWGTAASA-N 2 2 284.404 -0.057 20 0 CBADLP C[C@@H]1CCN(C(=O)NC[C@H]2COCC[N@H+]2C)C[C@H]1C[NH3+] ZINC000627182759 356596607 /nfs/dbraw/zinc/59/66/07/356596607.db2.gz KAKRUEXAUMDJBZ-UPJWGTAASA-N 2 2 284.404 -0.057 20 0 CBADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000627182739 356596653 /nfs/dbraw/zinc/59/66/53/356596653.db2.gz JUXJEZGVSQMFEB-OLZOCXBDSA-N 2 2 284.404 -0.044 20 0 CBADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000627182739 356596654 /nfs/dbraw/zinc/59/66/54/356596654.db2.gz JUXJEZGVSQMFEB-OLZOCXBDSA-N 2 2 284.404 -0.044 20 0 CBADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000627182713 356596730 /nfs/dbraw/zinc/59/67/30/356596730.db2.gz JMZOVVOOHGSZLB-HBNTYKKESA-N 2 2 256.350 -0.633 20 0 CBADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000627182713 356596732 /nfs/dbraw/zinc/59/67/32/356596732.db2.gz JMZOVVOOHGSZLB-HBNTYKKESA-N 2 2 256.350 -0.633 20 0 CBADLP CN(CC(C)(C)[NH3+])C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000627183266 356596735 /nfs/dbraw/zinc/59/67/35/356596735.db2.gz QPHFBSAMGRYECR-JTQLQIEISA-N 2 2 258.366 -0.304 20 0 CBADLP CN(CC(C)(C)[NH3+])C(=O)NC[C@H]1COCC[N@H+]1C ZINC000627183266 356596737 /nfs/dbraw/zinc/59/67/37/356596737.db2.gz QPHFBSAMGRYECR-JTQLQIEISA-N 2 2 258.366 -0.304 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CCCC[C@H]1C[NH3+] ZINC000627183132 356596764 /nfs/dbraw/zinc/59/67/64/356596764.db2.gz GYOGZAOWPYDUMK-RYUDHWBXSA-N 2 2 270.377 -0.160 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N1CCCC[C@H]1C[NH3+] ZINC000627183132 356596765 /nfs/dbraw/zinc/59/67/65/356596765.db2.gz GYOGZAOWPYDUMK-RYUDHWBXSA-N 2 2 270.377 -0.160 20 0 CBADLP C[NH2+]C[C@H]1CCCN(C(=O)NC[C@@H]2COCC[N@@H+]2C)C1 ZINC000627184338 356597485 /nfs/dbraw/zinc/59/74/85/356597485.db2.gz VQYGKJDVEAZRCP-CHWSQXEVSA-N 2 2 284.404 -0.042 20 0 CBADLP C[NH2+]C[C@H]1CCCN(C(=O)NC[C@@H]2COCC[N@H+]2C)C1 ZINC000627184338 356597489 /nfs/dbraw/zinc/59/74/89/356597489.db2.gz VQYGKJDVEAZRCP-CHWSQXEVSA-N 2 2 284.404 -0.042 20 0 CBADLP C[NH2+][C@@H]1CCN(C(=O)NC[C@H]2COCC[N@@H+]2C)C1 ZINC000627184066 356597671 /nfs/dbraw/zinc/59/76/71/356597671.db2.gz RGYQZSSKEYVHHV-MNOVXSKESA-N 2 2 256.350 -0.680 20 0 CBADLP C[NH2+][C@@H]1CCN(C(=O)NC[C@H]2COCC[N@H+]2C)C1 ZINC000627184066 356597673 /nfs/dbraw/zinc/59/76/73/356597673.db2.gz RGYQZSSKEYVHHV-MNOVXSKESA-N 2 2 256.350 -0.680 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000627183943 356597765 /nfs/dbraw/zinc/59/77/65/356597765.db2.gz PMHWCVRCPXAWKW-FRRDWIJNSA-N 2 2 282.388 -0.147 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000627183943 356597768 /nfs/dbraw/zinc/59/77/68/356597768.db2.gz PMHWCVRCPXAWKW-FRRDWIJNSA-N 2 2 282.388 -0.147 20 0 CBADLP CN(C(=O)NC[C@H]1COCC[N@@H+]1C)C1CC([NH3+])C1 ZINC000627184344 356597793 /nfs/dbraw/zinc/59/77/93/356597793.db2.gz VRDDROFIVWTNPL-ILDUYXDCSA-N 2 2 256.350 -0.552 20 0 CBADLP CN(C(=O)NC[C@H]1COCC[N@H+]1C)C1CC([NH3+])C1 ZINC000627184344 356597796 /nfs/dbraw/zinc/59/77/96/356597796.db2.gz VRDDROFIVWTNPL-ILDUYXDCSA-N 2 2 256.350 -0.552 20 0 CBADLP CN(C(=O)NC[C@H]1COCC[N@@H+]1C)C1CC[NH2+]CC1 ZINC000627184159 356597887 /nfs/dbraw/zinc/59/78/87/356597887.db2.gz RTFVAYXYCVNTAD-LBPRGKRZSA-N 2 2 270.377 -0.290 20 0 CBADLP CN(C(=O)NC[C@H]1COCC[N@H+]1C)C1CC[NH2+]CC1 ZINC000627184159 356597890 /nfs/dbraw/zinc/59/78/90/356597890.db2.gz RTFVAYXYCVNTAD-LBPRGKRZSA-N 2 2 270.377 -0.290 20 0 CBADLP C[C@@H]1CC[C@@H](NC(=O)NCC[NH+]2CCOCC2)C[NH2+]1 ZINC000627193326 356603436 /nfs/dbraw/zinc/60/34/36/356603436.db2.gz IAXLJXYIURHZMT-VXGBXAGGSA-N 2 2 270.377 -0.242 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627385613 356635882 /nfs/dbraw/zinc/63/58/82/356635882.db2.gz QJGFLWUQQPSYPJ-OUAUKWLOSA-N 2 2 279.344 -0.746 20 0 CBADLP CC1(C)C[NH+](CC(=O)N2CC[C@H]([N@@H+]3CC[C@@H](O)C3)C2)C1 ZINC000627267188 356617600 /nfs/dbraw/zinc/61/76/00/356617600.db2.gz KQZYZQQXOWAPDE-QWHCGFSZSA-N 2 2 281.400 -0.004 20 0 CBADLP CC1(C)C[NH+](CC(=O)N2CC[C@H]([N@H+]3CC[C@@H](O)C3)C2)C1 ZINC000627267188 356617604 /nfs/dbraw/zinc/61/76/04/356617604.db2.gz KQZYZQQXOWAPDE-QWHCGFSZSA-N 2 2 281.400 -0.004 20 0 CBADLP CCN(CC[NH3+])C(=O)C(=O)NCCCCn1cc[nH+]c1 ZINC000627292777 356621045 /nfs/dbraw/zinc/62/10/45/356621045.db2.gz DAOLMOVLFCRPFN-UHFFFAOYSA-N 2 2 281.360 -0.413 20 0 CBADLP C[C@H]1CC[C@H](NC(=O)C(=O)NCc2[nH+]ccn2C)C[NH2+]1 ZINC000627379312 356636052 /nfs/dbraw/zinc/63/60/52/356636052.db2.gz IGVXCWALCSOULL-UWVGGRQHSA-N 2 2 279.344 -0.707 20 0 CBADLP CN(CCCn1cc[nH+]c1)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627505275 356660952 /nfs/dbraw/zinc/66/09/52/356660952.db2.gz FYWAPBFGHQFOHG-LLVKDONJSA-N 2 2 279.344 -0.790 20 0 CBADLP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000627506225 356661240 /nfs/dbraw/zinc/66/12/40/356661240.db2.gz FNNACUPEZZCELX-WDEREUQCSA-N 2 2 291.355 -0.406 20 0 CBADLP C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)C[NH2+]1 ZINC000627476647 356653059 /nfs/dbraw/zinc/65/30/59/356653059.db2.gz IWGICXAIADPXOO-VXGBXAGGSA-N 2 2 294.399 -0.450 20 0 CBADLP C[C@@H]1CC[C@H](NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)C[NH2+]1 ZINC000627476644 356653324 /nfs/dbraw/zinc/65/33/24/356653324.db2.gz IWGICXAIADPXOO-NEPJUHHUSA-N 2 2 294.399 -0.450 20 0 CBADLP C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC000425059028 283204991 /nfs/dbraw/zinc/20/49/91/283204991.db2.gz QGGQZJPNYXKYHI-YNEHKIRRSA-N 2 2 267.373 -0.130 20 0 CBADLP C[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC000425059028 283204992 /nfs/dbraw/zinc/20/49/92/283204992.db2.gz QGGQZJPNYXKYHI-YNEHKIRRSA-N 2 2 267.373 -0.130 20 0 CBADLP C[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC000425059028 283204994 /nfs/dbraw/zinc/20/49/94/283204994.db2.gz QGGQZJPNYXKYHI-YNEHKIRRSA-N 2 2 267.373 -0.130 20 0 CBADLP C[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC000425059028 283205000 /nfs/dbraw/zinc/20/50/00/283205000.db2.gz QGGQZJPNYXKYHI-YNEHKIRRSA-N 2 2 267.373 -0.130 20 0 CBADLP C[C@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)[C@H]1CCC(=O)N1 ZINC000628061993 356685781 /nfs/dbraw/zinc/68/57/81/356685781.db2.gz UMFHUKOJKCUVGV-QWHCGFSZSA-N 2 2 298.431 -0.099 20 0 CBADLP C[C@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)[C@H]1CCC(=O)N1 ZINC000628061993 356685784 /nfs/dbraw/zinc/68/57/84/356685784.db2.gz UMFHUKOJKCUVGV-QWHCGFSZSA-N 2 2 298.431 -0.099 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC000628915467 356738553 /nfs/dbraw/zinc/73/85/53/356738553.db2.gz BVJKPWPYCNCCCT-LLVKDONJSA-N 2 2 252.318 -0.280 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC000628915467 356738556 /nfs/dbraw/zinc/73/85/56/356738556.db2.gz BVJKPWPYCNCCCT-LLVKDONJSA-N 2 2 252.318 -0.280 20 0 CBADLP C[N@H+](CC(=O)NC[C@@H]1COCC[NH+]1C)[C@H]1CCSC1 ZINC000628918855 356740758 /nfs/dbraw/zinc/74/07/58/356740758.db2.gz PUGRITIPIBJVRE-NWDGAFQWSA-N 2 2 287.429 -0.130 20 0 CBADLP C[N@@H+](CC(=O)NC[C@@H]1COCC[NH+]1C)[C@H]1CCSC1 ZINC000628918855 356740760 /nfs/dbraw/zinc/74/07/60/356740760.db2.gz PUGRITIPIBJVRE-NWDGAFQWSA-N 2 2 287.429 -0.130 20 0 CBADLP C[NH+](CC(=O)NC[C@@H]1COCC[N@@H+]1C)[C@H]1CCSC1 ZINC000628918855 356740762 /nfs/dbraw/zinc/74/07/62/356740762.db2.gz PUGRITIPIBJVRE-NWDGAFQWSA-N 2 2 287.429 -0.130 20 0 CBADLP C[NH+](CC(=O)NC[C@@H]1COCC[N@H+]1C)[C@H]1CCSC1 ZINC000628918855 356740764 /nfs/dbraw/zinc/74/07/64/356740764.db2.gz PUGRITIPIBJVRE-NWDGAFQWSA-N 2 2 287.429 -0.130 20 0 CBADLP O=C(C[NH+]1CCC2(CC[NH2+]2)CC1)N1CCOCC1 ZINC000629542241 356777784 /nfs/dbraw/zinc/77/77/84/356777784.db2.gz CGAYDSVTIFUHAH-UHFFFAOYSA-N 2 2 253.346 -0.327 20 0 CBADLP CNC(=O)NC[C@H]1C[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000629554154 356778609 /nfs/dbraw/zinc/77/86/09/356778609.db2.gz BHCBWKVBEIGGIG-NEPJUHHUSA-N 2 2 298.387 -0.863 20 0 CBADLP C[C@H]([C@H]1CCC[NH2+]C1)[N@@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000629547587 356778912 /nfs/dbraw/zinc/77/89/12/356778912.db2.gz UNKYQBYJNCZFBC-WOPDTQHZSA-N 2 2 255.362 -0.049 20 0 CBADLP C[C@H]([C@H]1CCC[NH2+]C1)[N@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000629547587 356778914 /nfs/dbraw/zinc/77/89/14/356778914.db2.gz UNKYQBYJNCZFBC-WOPDTQHZSA-N 2 2 255.362 -0.049 20 0 CBADLP O[C@H]1CC[N@H+](CCN[C@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000629555933 356779296 /nfs/dbraw/zinc/77/92/96/356779296.db2.gz JOJGZDXIFJEZNL-MELADBBJSA-N 2 2 269.389 -0.590 20 0 CBADLP O[C@H]1CC[N@@H+](CCN[C@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000629555933 356779301 /nfs/dbraw/zinc/77/93/01/356779301.db2.gz JOJGZDXIFJEZNL-MELADBBJSA-N 2 2 269.389 -0.590 20 0 CBADLP O[C@H]1CCN(CC[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000629555933 356779303 /nfs/dbraw/zinc/77/93/03/356779303.db2.gz JOJGZDXIFJEZNL-MELADBBJSA-N 2 2 269.389 -0.590 20 0 CBADLP CNC(=O)NC[C@H]1C[N@H+](C[C@H]2CC[NH2+]C2)CCO1 ZINC000629554736 356779595 /nfs/dbraw/zinc/77/95/95/356779595.db2.gz OTPUACXRMDTDOQ-QWRGUYRKSA-N 2 2 256.350 -0.774 20 0 CBADLP CNC(=O)NC[C@H]1C[N@@H+](C[C@H]2CC[NH2+]C2)CCO1 ZINC000629554736 356779598 /nfs/dbraw/zinc/77/95/98/356779598.db2.gz OTPUACXRMDTDOQ-QWRGUYRKSA-N 2 2 256.350 -0.774 20 0 CBADLP CNC(=O)NC[C@@H]1C[N@H+](C[C@@H]2CC[NH2+]C2)CCO1 ZINC000629554734 356779849 /nfs/dbraw/zinc/77/98/49/356779849.db2.gz OTPUACXRMDTDOQ-GHMZBOCLSA-N 2 2 256.350 -0.774 20 0 CBADLP CNC(=O)NC[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+]C2)CCO1 ZINC000629554734 356779853 /nfs/dbraw/zinc/77/98/53/356779853.db2.gz OTPUACXRMDTDOQ-GHMZBOCLSA-N 2 2 256.350 -0.774 20 0 CBADLP CC(C)NS(=O)(=O)CC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000629558361 356779899 /nfs/dbraw/zinc/77/98/99/356779899.db2.gz GPWDEJOGABRCMJ-LBPRGKRZSA-N 2 2 293.433 -0.640 20 0 CBADLP C[NH+]1CCN(C(=O)CC[NH2+]C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000629566345 356780593 /nfs/dbraw/zinc/78/05/93/356780593.db2.gz YXCSVJSWLUWUII-CQSZACIVSA-N 3 2 298.431 -0.803 20 0 CBADLP C[NH+](C)CC(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000629438302 356773154 /nfs/dbraw/zinc/77/31/54/356773154.db2.gz LBZJMCUHDAXAIV-AWEZNQCLSA-N 2 2 292.383 -0.040 20 0 CBADLP C[NH+](C)CC(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000629438302 356773156 /nfs/dbraw/zinc/77/31/56/356773156.db2.gz LBZJMCUHDAXAIV-AWEZNQCLSA-N 2 2 292.383 -0.040 20 0 CBADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@H]1COCCN1C ZINC000629532918 356776621 /nfs/dbraw/zinc/77/66/21/356776621.db2.gz YFRYNTNQVXWCFY-UPJWGTAASA-N 2 2 257.378 -0.326 20 0 CBADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCC[NH+]1CC[C@H](O)C1 ZINC000629915225 356807221 /nfs/dbraw/zinc/80/72/21/356807221.db2.gz GAXJHJFUTWVWSU-UONOGXRCSA-N 2 2 299.415 -0.330 20 0 CBADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NCC[NH+]1CC[C@H](O)C1 ZINC000629915225 356807222 /nfs/dbraw/zinc/80/72/22/356807222.db2.gz GAXJHJFUTWVWSU-UONOGXRCSA-N 2 2 299.415 -0.330 20 0 CBADLP CCCC[NH+]1CCOC[C@@H]1C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000629915225 356807223 /nfs/dbraw/zinc/80/72/23/356807223.db2.gz GAXJHJFUTWVWSU-UONOGXRCSA-N 2 2 299.415 -0.330 20 0 CBADLP CCCC[NH+]1CCOC[C@@H]1C(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000629915225 356807224 /nfs/dbraw/zinc/80/72/24/356807224.db2.gz GAXJHJFUTWVWSU-UONOGXRCSA-N 2 2 299.415 -0.330 20 0 CBADLP C[N@@H+](CC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1)C1CCC1 ZINC000629966935 356811819 /nfs/dbraw/zinc/81/18/19/356811819.db2.gz DUBCTQUDQZIZGT-UHFFFAOYSA-N 2 2 296.415 -0.121 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC000629949222 356812221 /nfs/dbraw/zinc/81/22/21/356812221.db2.gz XZCKDTOFUKVWRT-UHFFFAOYSA-N 2 2 296.415 -0.249 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)C[N@H+](C)C2CCC2)CC1 ZINC000629949222 356812223 /nfs/dbraw/zinc/81/22/23/356812223.db2.gz XZCKDTOFUKVWRT-UHFFFAOYSA-N 2 2 296.415 -0.249 20 0 CBADLP C[C@H]1CN(C(=O)C[NH+](C)C2CCC2)CC[N@@H+]1CCO ZINC000629980970 356813759 /nfs/dbraw/zinc/81/37/59/356813759.db2.gz CHDPGZRZXCLTKR-LBPRGKRZSA-N 2 2 269.389 -0.004 20 0 CBADLP C[C@H]1CN(C(=O)C[NH+](C)C2CCC2)CC[N@H+]1CCO ZINC000629980970 356813761 /nfs/dbraw/zinc/81/37/61/356813761.db2.gz CHDPGZRZXCLTKR-LBPRGKRZSA-N 2 2 269.389 -0.004 20 0 CBADLP C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC[NH+]1CCO ZINC000629980970 356813766 /nfs/dbraw/zinc/81/37/66/356813766.db2.gz CHDPGZRZXCLTKR-LBPRGKRZSA-N 2 2 269.389 -0.004 20 0 CBADLP C[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC[NH+]1CCO ZINC000629980970 356813770 /nfs/dbraw/zinc/81/37/70/356813770.db2.gz CHDPGZRZXCLTKR-LBPRGKRZSA-N 2 2 269.389 -0.004 20 0 CBADLP CC[NH+]1CCN(C(=O)CNC(=O)C2([NH+](C)C)CC2)CC1 ZINC000630009039 356816007 /nfs/dbraw/zinc/81/60/07/356816007.db2.gz VGMLFPCJBRMCSF-UHFFFAOYSA-N 2 2 282.388 -0.639 20 0 CBADLP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)C1(S(C)(=O)=O)CC1 ZINC000629580462 356782925 /nfs/dbraw/zinc/78/29/25/356782925.db2.gz CLMKALIIHKAVSQ-VXGBXAGGSA-N 2 2 290.429 -0.002 20 0 CBADLP CC(=O)NC[C@H]1CCCC[N@@H+]1C[C@H]1C[NH2+]CCO1 ZINC000629595485 356784657 /nfs/dbraw/zinc/78/46/57/356784657.db2.gz QHWXNEIDTDYJTG-CHWSQXEVSA-N 2 2 255.362 -0.035 20 0 CBADLP CC(=O)NC[C@H]1CCCC[N@H+]1C[C@H]1C[NH2+]CCO1 ZINC000629595485 356784661 /nfs/dbraw/zinc/78/46/61/356784661.db2.gz QHWXNEIDTDYJTG-CHWSQXEVSA-N 2 2 255.362 -0.035 20 0 CBADLP C[N@H+](C[C@@H](O)C[NH2+]CCC[NH+]1CCC[C@H]1C(N)=O)C1CC1 ZINC000629601246 356784941 /nfs/dbraw/zinc/78/49/41/356784941.db2.gz BESVRHGZYDEKEN-KBPBESRZSA-N 3 2 298.431 -0.629 20 0 CBADLP C[N@@H+](C[C@@H](O)C[NH2+]CCC[NH+]1CCC[C@H]1C(N)=O)C1CC1 ZINC000629601246 356784943 /nfs/dbraw/zinc/78/49/43/356784943.db2.gz BESVRHGZYDEKEN-KBPBESRZSA-N 3 2 298.431 -0.629 20 0 CBADLP C[NH+](C[C@@H](O)C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)C1CC1 ZINC000629601246 356784945 /nfs/dbraw/zinc/78/49/45/356784945.db2.gz BESVRHGZYDEKEN-KBPBESRZSA-N 3 2 298.431 -0.629 20 0 CBADLP C[NH+](C[C@@H](O)C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)C1CC1 ZINC000629601246 356784947 /nfs/dbraw/zinc/78/49/47/356784947.db2.gz BESVRHGZYDEKEN-KBPBESRZSA-N 3 2 298.431 -0.629 20 0 CBADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C[C@@H](O)C(F)(F)F ZINC000629605543 356785104 /nfs/dbraw/zinc/78/51/04/356785104.db2.gz JTERWPSQPNZBHM-DTWKUNHWSA-N 2 2 283.294 -0.161 20 0 CBADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C[C@@H](O)C(F)(F)F ZINC000629605543 356785106 /nfs/dbraw/zinc/78/51/06/356785106.db2.gz JTERWPSQPNZBHM-DTWKUNHWSA-N 2 2 283.294 -0.161 20 0 CBADLP CCOC[C@@H](O)C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000629606037 356785744 /nfs/dbraw/zinc/78/57/44/356785744.db2.gz MNXLCSBXPBPEPT-RYUDHWBXSA-N 2 2 273.377 -0.687 20 0 CBADLP CCOC[C@@H](O)C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000629606037 356785749 /nfs/dbraw/zinc/78/57/49/356785749.db2.gz MNXLCSBXPBPEPT-RYUDHWBXSA-N 2 2 273.377 -0.687 20 0 CBADLP C[N@H+](C[C@H](O)C[NH2+]CCN1CC[C@@H](O)C1)C1CC1 ZINC000629607372 356785906 /nfs/dbraw/zinc/78/59/06/356785906.db2.gz RWEAJSWVRXJDID-CHWSQXEVSA-N 2 2 257.378 -0.902 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH2+]CCN1CC[C@@H](O)C1)C1CC1 ZINC000629607372 356785910 /nfs/dbraw/zinc/78/59/10/356785910.db2.gz RWEAJSWVRXJDID-CHWSQXEVSA-N 2 2 257.378 -0.902 20 0 CBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000629606515 356786025 /nfs/dbraw/zinc/78/60/25/356786025.db2.gz ILKXTYOCPIDWHZ-KBPBESRZSA-N 2 2 299.415 -0.330 20 0 CBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@@]1(C)CC[NH2+]C1 ZINC000629607529 356786686 /nfs/dbraw/zinc/78/66/86/356786686.db2.gz VRWRMHQMRQPHTC-OCCSQVGLSA-N 2 2 285.388 -0.863 20 0 CBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(C)(C)C[NH3+] ZINC000629608573 356787140 /nfs/dbraw/zinc/78/71/40/356787140.db2.gz YNHLDIMJQAPLDY-LLVKDONJSA-N 2 2 273.377 -0.877 20 0 CBADLP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000629607798 356787297 /nfs/dbraw/zinc/78/72/97/356787297.db2.gz ZOVLMZNBXJTOJA-AVGNSLFASA-N 2 2 285.388 -0.864 20 0 CBADLP CO[C@@H]1C[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)[C@](C)(C[NH3+])C1 ZINC000630365420 356838730 /nfs/dbraw/zinc/83/87/30/356838730.db2.gz HVRABPORTCOKDV-AVGNSLFASA-N 3 2 269.389 -0.055 20 0 CBADLP CO[C@@H]1C[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)[C@](C)(C[NH3+])C1 ZINC000630365420 356838734 /nfs/dbraw/zinc/83/87/34/356838734.db2.gz HVRABPORTCOKDV-AVGNSLFASA-N 3 2 269.389 -0.055 20 0 CBADLP C[C@H](O)C[NH+]1CCN(S(=O)(=O)CCC[NH+](C)C)CC1 ZINC000632007643 356942718 /nfs/dbraw/zinc/94/27/18/356942718.db2.gz RAYQFOBQSCGKFE-LBPRGKRZSA-N 2 2 293.433 -0.734 20 0 CBADLP C[N@H+](CCNS(=O)(=O)C[C@@H]1C[NH+](C)CCO1)C1CC1 ZINC000631795984 356908089 /nfs/dbraw/zinc/90/80/89/356908089.db2.gz NKAMZFFAIFPJLT-LBPRGKRZSA-N 2 2 291.417 -0.669 20 0 CBADLP C[N@@H+](CCNS(=O)(=O)C[C@@H]1C[NH+](C)CCO1)C1CC1 ZINC000631795984 356908092 /nfs/dbraw/zinc/90/80/92/356908092.db2.gz NKAMZFFAIFPJLT-LBPRGKRZSA-N 2 2 291.417 -0.669 20 0 CBADLP C[NH+](CCNS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC000631795984 356908095 /nfs/dbraw/zinc/90/80/95/356908095.db2.gz NKAMZFFAIFPJLT-LBPRGKRZSA-N 2 2 291.417 -0.669 20 0 CBADLP C[NH+](CCNS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC000631795984 356908098 /nfs/dbraw/zinc/90/80/98/356908098.db2.gz NKAMZFFAIFPJLT-LBPRGKRZSA-N 2 2 291.417 -0.669 20 0 CBADLP Cc1nccnc1C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000631820523 356908971 /nfs/dbraw/zinc/90/89/71/356908971.db2.gz BOKIEIBQGUUQLV-UHFFFAOYSA-N 2 2 263.345 -0.351 20 0 CBADLP Cc1nccnc1C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000631820523 356908973 /nfs/dbraw/zinc/90/89/73/356908973.db2.gz BOKIEIBQGUUQLV-UHFFFAOYSA-N 2 2 263.345 -0.351 20 0 CBADLP Cn1c(C[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)cc(=O)n(C)c1=O ZINC000631868307 356914504 /nfs/dbraw/zinc/91/45/04/356914504.db2.gz CTUZWZDLVIXQSH-YGRLFVJLSA-N 2 2 278.356 -0.684 20 0 CBADLP Cn1c(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cc(=O)n(C)c1=O ZINC000631888739 356915943 /nfs/dbraw/zinc/91/59/43/356915943.db2.gz ZYHJPHMBMDJBAG-AAEUAGOBSA-N 2 2 292.383 -0.342 20 0 CBADLP Cn1c(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cc(=O)n(C)c1=O ZINC000631888739 356915945 /nfs/dbraw/zinc/91/59/45/356915945.db2.gz ZYHJPHMBMDJBAG-AAEUAGOBSA-N 2 2 292.383 -0.342 20 0 CBADLP Cn1c(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c[nH]c1=O ZINC000631626569 356897883 /nfs/dbraw/zinc/89/78/83/356897883.db2.gz ZKTSVKKQGOGUML-UHFFFAOYSA-N 2 2 295.387 -0.119 20 0 CBADLP C[NH+]1CCC(NS(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000631677091 356900792 /nfs/dbraw/zinc/90/07/92/356900792.db2.gz PBLSHPXIXXTCQE-LBPRGKRZSA-N 2 2 291.417 -0.669 20 0 CBADLP C[NH+]1CCC(NS(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000631677091 356900796 /nfs/dbraw/zinc/90/07/96/356900796.db2.gz PBLSHPXIXXTCQE-LBPRGKRZSA-N 2 2 291.417 -0.669 20 0 CBADLP CC(C)[N@H+](C)CCNS(=O)(=O)C[C@@H]1C[NH+](C)CCO1 ZINC000632255643 356964302 /nfs/dbraw/zinc/96/43/02/356964302.db2.gz ZKPKTBVCWQOALF-LBPRGKRZSA-N 2 2 293.433 -0.423 20 0 CBADLP CC(C)[N@@H+](C)CCNS(=O)(=O)C[C@@H]1C[NH+](C)CCO1 ZINC000632255643 356964306 /nfs/dbraw/zinc/96/43/06/356964306.db2.gz ZKPKTBVCWQOALF-LBPRGKRZSA-N 2 2 293.433 -0.423 20 0 CBADLP CC(C)[NH+](C)CCNS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000632255643 356964309 /nfs/dbraw/zinc/96/43/09/356964309.db2.gz ZKPKTBVCWQOALF-LBPRGKRZSA-N 2 2 293.433 -0.423 20 0 CBADLP CC(C)[NH+](C)CCNS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000632255643 356964311 /nfs/dbraw/zinc/96/43/11/356964311.db2.gz ZKPKTBVCWQOALF-LBPRGKRZSA-N 2 2 293.433 -0.423 20 0 CBADLP C[N@@H+]1CC[C@H](CNS(=O)(=O)C[C@@H]2C[NH+](C)CCO2)C1 ZINC000632431277 356988656 /nfs/dbraw/zinc/98/86/56/356988656.db2.gz ZEQWQNHCFDQYEX-NEPJUHHUSA-N 2 2 291.417 -0.812 20 0 CBADLP C[N@H+]1CC[C@H](CNS(=O)(=O)C[C@@H]2C[NH+](C)CCO2)C1 ZINC000632431277 356988658 /nfs/dbraw/zinc/98/86/58/356988658.db2.gz ZEQWQNHCFDQYEX-NEPJUHHUSA-N 2 2 291.417 -0.812 20 0 CBADLP C[NH+]1CC[C@H](CNS(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)C1 ZINC000632431277 356988662 /nfs/dbraw/zinc/98/86/62/356988662.db2.gz ZEQWQNHCFDQYEX-NEPJUHHUSA-N 2 2 291.417 -0.812 20 0 CBADLP C[NH+]1CC[C@H](CNS(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000632431277 356988665 /nfs/dbraw/zinc/98/86/65/356988665.db2.gz ZEQWQNHCFDQYEX-NEPJUHHUSA-N 2 2 291.417 -0.812 20 0 CBADLP C[C@H](NS(=O)(=O)CCC[NH+](C)C)[C@H]1C[N@H+](C)CCO1 ZINC000632123796 356953148 /nfs/dbraw/zinc/95/31/48/356953148.db2.gz JZLYRJAPPCLSQB-NWDGAFQWSA-N 2 2 293.433 -0.423 20 0 CBADLP C[C@H](NS(=O)(=O)CCC[NH+](C)C)[C@H]1C[N@@H+](C)CCO1 ZINC000632123796 356953151 /nfs/dbraw/zinc/95/31/51/356953151.db2.gz JZLYRJAPPCLSQB-NWDGAFQWSA-N 2 2 293.433 -0.423 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000633086777 357041382 /nfs/dbraw/zinc/04/13/82/357041382.db2.gz CDHOSGGBQOQVLM-TXEJJXNPSA-N 2 2 280.372 -0.887 20 0 CBADLP C[C@@H]1CN(C(=O)C(=O)N(C)Cc2[nH]cc[nH+]2)C[C@H](C)[NH2+]1 ZINC000633107331 357047401 /nfs/dbraw/zinc/04/74/01/357047401.db2.gz ZANPELPHNSPAQQ-AOOOYVTPSA-N 2 2 279.344 -0.423 20 0 CBADLP C[C@@H]1CN(C(=O)C(=O)N(C)Cc2c[nH+]c[nH]2)C[C@H]1C[NH3+] ZINC000633114172 357048874 /nfs/dbraw/zinc/04/88/74/357048874.db2.gz UOPRRNVQYFFXQH-NXEZZACHSA-N 2 2 279.344 -0.579 20 0 CBADLP C[C@@H]1CN(C(=O)C(=O)N(C)Cc2c[nH]c[nH+]2)C[C@H]1C[NH3+] ZINC000633114172 357048878 /nfs/dbraw/zinc/04/88/78/357048878.db2.gz UOPRRNVQYFFXQH-NXEZZACHSA-N 2 2 279.344 -0.579 20 0 CBADLP CN(Cc1c[nH+]c[nH]1)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633115380 357049755 /nfs/dbraw/zinc/04/97/55/357049755.db2.gz QUBXCHKJUBSWMN-AOOOYVTPSA-N 2 2 277.328 -0.669 20 0 CBADLP CN(Cc1c[nH]c[nH+]1)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633115380 357049758 /nfs/dbraw/zinc/04/97/58/357049758.db2.gz QUBXCHKJUBSWMN-AOOOYVTPSA-N 2 2 277.328 -0.669 20 0 CBADLP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CCn2c[nH+]cc2C1 ZINC000633149921 357053174 /nfs/dbraw/zinc/05/31/74/357053174.db2.gz XNGOPWSEJUSKBW-VHSXEESVSA-N 2 2 277.328 -0.827 20 0 CBADLP C[NH+](C)CC1CN(C(=O)C2([NH+]3CCOCC3)CC2)C1 ZINC000633252645 357057826 /nfs/dbraw/zinc/05/78/26/357057826.db2.gz QRSYPVPDFNWPRO-UHFFFAOYSA-N 2 2 267.373 -0.129 20 0 CBADLP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)C3([NH+]4CCOCC4)CC3)C[C@H]21 ZINC000633324659 357060791 /nfs/dbraw/zinc/06/07/91/357060791.db2.gz XSQOMCFMPCWBCE-ITGUQSILSA-N 2 2 279.384 -0.130 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cc1nc[nH]n1 ZINC000633619993 357075539 /nfs/dbraw/zinc/07/55/39/357075539.db2.gz YPOOPFBFXOEJAO-UHFFFAOYSA-N 2 2 268.365 -0.653 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cc1nc[nH]n1 ZINC000633619993 357075543 /nfs/dbraw/zinc/07/55/43/357075543.db2.gz YPOOPFBFXOEJAO-UHFFFAOYSA-N 2 2 268.365 -0.653 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cc1nnc[nH]1 ZINC000633619993 357075545 /nfs/dbraw/zinc/07/55/45/357075545.db2.gz YPOOPFBFXOEJAO-UHFFFAOYSA-N 2 2 268.365 -0.653 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cc1nnc[nH]1 ZINC000633619993 357075547 /nfs/dbraw/zinc/07/55/47/357075547.db2.gz YPOOPFBFXOEJAO-UHFFFAOYSA-N 2 2 268.365 -0.653 20 0 CBADLP C[C@H](C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)N1CC[NH2+]CC1=O ZINC000634741431 357132066 /nfs/dbraw/zinc/13/20/66/357132066.db2.gz BWWSUAICTOPTRJ-DFBGVHRSSA-N 2 2 294.399 -0.735 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634769598 357135213 /nfs/dbraw/zinc/13/52/13/357135213.db2.gz HCDVCSGINPQWJA-WZRBSPASSA-N 3 2 254.378 -0.476 20 0 CBADLP c1nc(N2CC[C@H]3OCC[NH2+][C@@H]3C2)c2c([nH+]1)NCCO2 ZINC000634809257 357137354 /nfs/dbraw/zinc/13/73/54/357137354.db2.gz NLTZISFXZLATBV-NXEZZACHSA-N 2 2 277.328 -0.152 20 0 CBADLP C[C@H](C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)[NH+](C)C ZINC000635532379 357172836 /nfs/dbraw/zinc/17/28/36/357172836.db2.gz KJINYJBOKRPXEB-AGIUHOORSA-N 2 2 269.389 -0.006 20 0 CBADLP C[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)CC1(O)CCOCC1 ZINC000634705134 357127758 /nfs/dbraw/zinc/12/77/58/357127758.db2.gz VSNGFWQECIUKOG-STQMWFEESA-N 2 2 272.389 -0.037 20 0 CBADLP C[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)CC1(O)CCOCC1 ZINC000634705134 357127763 /nfs/dbraw/zinc/12/77/63/357127763.db2.gz VSNGFWQECIUKOG-STQMWFEESA-N 2 2 272.389 -0.037 20 0 CBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000635660393 357190360 /nfs/dbraw/zinc/19/03/60/357190360.db2.gz YERQZLFNWMSUEP-KGLIPLIRSA-N 2 2 299.415 -0.378 20 0 CBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC000635660393 357190362 /nfs/dbraw/zinc/19/03/62/357190362.db2.gz YERQZLFNWMSUEP-KGLIPLIRSA-N 2 2 299.415 -0.378 20 0 CBADLP CC[C@H](CO)[NH+]1CCN(C(=O)[C@@H](C)[NH+](C)C)CC1 ZINC000635714729 357195578 /nfs/dbraw/zinc/19/55/78/357195578.db2.gz PVSZSSBKGAGDGG-VXGBXAGGSA-N 2 2 257.378 -0.148 20 0 CBADLP C[NH+](C)CC1(C(=O)N(CCO)CC[NH+]2CCOCC2)CC1 ZINC000635714882 357195979 /nfs/dbraw/zinc/19/59/79/357195979.db2.gz VZQWGNMYWQEBPV-UHFFFAOYSA-N 2 2 299.415 -0.519 20 0 CBADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)[C@@H](C)[NH+](C)C)[C@H](C)C1 ZINC000635818038 357212243 /nfs/dbraw/zinc/21/22/43/357212243.db2.gz ACWPNCDPNMHYPO-IJLUTSLNSA-N 2 2 257.378 -0.150 20 0 CBADLP C[C@@H](O)C[N@H+]1CCN(C(=O)[C@@H](C)[NH+](C)C)[C@H](C)C1 ZINC000635818038 357212247 /nfs/dbraw/zinc/21/22/47/357212247.db2.gz ACWPNCDPNMHYPO-IJLUTSLNSA-N 2 2 257.378 -0.150 20 0 CBADLP CN1CC[N@H+](C)[C@@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC000635546998 357174699 /nfs/dbraw/zinc/17/46/99/357174699.db2.gz DNXRJGNFIWJFIL-STQMWFEESA-N 2 2 268.405 -0.310 20 0 CBADLP CN1CC[N@@H+](C)[C@@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC000635546998 357174702 /nfs/dbraw/zinc/17/47/02/357174702.db2.gz DNXRJGNFIWJFIL-STQMWFEESA-N 2 2 268.405 -0.310 20 0 CBADLP CN1CC[NH+](C)[C@@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000635546998 357174704 /nfs/dbraw/zinc/17/47/04/357174704.db2.gz DNXRJGNFIWJFIL-STQMWFEESA-N 2 2 268.405 -0.310 20 0 CBADLP CN1CC[NH+](C)[C@@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000635546998 357174706 /nfs/dbraw/zinc/17/47/06/357174706.db2.gz DNXRJGNFIWJFIL-STQMWFEESA-N 2 2 268.405 -0.310 20 0 CBADLP C[N@@H+]1CC[C@@H](CC(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)C1 ZINC000635625023 357184362 /nfs/dbraw/zinc/18/43/62/357184362.db2.gz BSYAOFXVZDPQEU-LBPRGKRZSA-N 2 2 296.415 -0.264 20 0 CBADLP C[N@H+]1CC[C@@H](CC(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)C1 ZINC000635625023 357184366 /nfs/dbraw/zinc/18/43/66/357184366.db2.gz BSYAOFXVZDPQEU-LBPRGKRZSA-N 2 2 296.415 -0.264 20 0 CBADLP CC[NH+](CC)CCNC(=O)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000636441381 357284887 /nfs/dbraw/zinc/28/48/87/357284887.db2.gz FCYQNIXMKARKGV-UHFFFAOYSA-N 2 2 281.360 -0.174 20 0 CBADLP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000636620480 357292872 /nfs/dbraw/zinc/29/28/72/357292872.db2.gz HKSCZCXYQKCUFG-SNVBAGLBSA-N 2 2 281.360 -0.176 20 0 CBADLP COCC[N@H+](C)CCNC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636708542 357298022 /nfs/dbraw/zinc/29/80/22/357298022.db2.gz SXQADGQTKNFBHB-NSHDSACASA-N 2 2 281.360 -0.315 20 0 CBADLP COCC[N@@H+](C)CCNC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636708542 357298027 /nfs/dbraw/zinc/29/80/27/357298027.db2.gz SXQADGQTKNFBHB-NSHDSACASA-N 2 2 281.360 -0.315 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636752384 357300364 /nfs/dbraw/zinc/30/03/64/357300364.db2.gz RDQMYOJSXPJLEA-RYUDHWBXSA-N 2 2 293.371 -0.172 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636752384 357300368 /nfs/dbraw/zinc/30/03/68/357300368.db2.gz RDQMYOJSXPJLEA-RYUDHWBXSA-N 2 2 293.371 -0.172 20 0 CBADLP Cn1cnc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1=O ZINC000636171590 357268842 /nfs/dbraw/zinc/26/88/42/357268842.db2.gz MUFCBFZYVRUMDV-UHFFFAOYSA-N 2 2 295.387 -0.606 20 0 CBADLP Cn1cnc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1=O ZINC000636171590 357268844 /nfs/dbraw/zinc/26/88/44/357268844.db2.gz MUFCBFZYVRUMDV-UHFFFAOYSA-N 2 2 295.387 -0.606 20 0 CBADLP CCc1c[nH]c(CC(=O)NCC[N@@H+]2CC[C@H](O)C2)[nH+]1 ZINC000636290977 357277375 /nfs/dbraw/zinc/27/73/75/357277375.db2.gz FSYPWJMIJBRGIW-NSHDSACASA-N 2 2 266.345 -0.303 20 0 CBADLP CCc1c[nH]c(CC(=O)NCC[N@H+]2CC[C@H](O)C2)[nH+]1 ZINC000636290977 357277378 /nfs/dbraw/zinc/27/73/78/357277378.db2.gz FSYPWJMIJBRGIW-NSHDSACASA-N 2 2 266.345 -0.303 20 0 CBADLP C[C@@H](C(=O)N1CCCC[C@H]1C[NH3+])N1CC[NH2+]CC1=O ZINC000637817379 357370572 /nfs/dbraw/zinc/37/05/72/357370572.db2.gz VICVZMGEPBRRNF-QWRGUYRKSA-N 2 2 268.361 -0.854 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000637863872 357378057 /nfs/dbraw/zinc/37/80/57/357378057.db2.gz IZSRYWGUXQSONA-LLVKDONJSA-N 3 2 251.334 -0.707 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000637863872 357378059 /nfs/dbraw/zinc/37/80/59/357378059.db2.gz IZSRYWGUXQSONA-LLVKDONJSA-N 3 2 251.334 -0.707 20 0 CBADLP CCCN(C(=O)[C@H](C)N1CC[NH2+]CC1=O)[C@@H]1CC[NH2+]C1 ZINC000637832651 357372487 /nfs/dbraw/zinc/37/24/87/357372487.db2.gz LKUCEANFDUWEKR-NWDGAFQWSA-N 2 2 282.388 -0.593 20 0 CBADLP C[C@@H](C(=O)NC[C@@H]([NH3+])c1ccccc1)N1CC[NH2+]CC1=O ZINC000637832498 357372747 /nfs/dbraw/zinc/37/27/47/357372747.db2.gz KJTFLIAHHGLULC-WCQYABFASA-N 2 2 290.367 -0.377 20 0 CBADLP C[C@H](C(=O)NC[C@H]([NH3+])c1ccccc1)N1CC[NH2+]CC1=O ZINC000637832499 357372921 /nfs/dbraw/zinc/37/29/21/357372921.db2.gz KJTFLIAHHGLULC-YPMHNXCESA-N 2 2 290.367 -0.377 20 0 CBADLP C[C@H](NC(=O)N[C@H]1Cc2c[nH+]cn2C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000636950681 357313261 /nfs/dbraw/zinc/31/32/61/357313261.db2.gz YVEQISFRIYJEFR-GVXVVHGQSA-N 2 2 293.371 -0.174 20 0 CBADLP C[C@H](C(=O)N[C@](C)(C[NH3+])C1CC1)N1CC[NH2+]CC1=O ZINC000637840777 357374741 /nfs/dbraw/zinc/37/47/41/357374741.db2.gz IVWQVRCFJFUGRI-NOZJJQNGSA-N 2 2 268.361 -0.950 20 0 CBADLP C[C@H](C(=O)N[C@H](C[NH3+])C1CCCCC1)N1CC[NH2+]CC1=O ZINC000637844405 357376029 /nfs/dbraw/zinc/37/60/29/357376029.db2.gz NJSPCLAJGXVYMO-DGCLKSJQSA-N 2 2 296.415 -0.170 20 0 CBADLP C[C@@H](C(=O)N[C@H](C[NH3+])C1CCCCC1)N1CC[NH2+]CC1=O ZINC000637844406 357376181 /nfs/dbraw/zinc/37/61/81/357376181.db2.gz NJSPCLAJGXVYMO-WCQYABFASA-N 2 2 296.415 -0.170 20 0 CBADLP C[C@H](C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+])N1CC[NH2+]CC1=O ZINC000637845612 357376222 /nfs/dbraw/zinc/37/62/22/357376222.db2.gz BFFNIXQTQJIDFQ-IJLUTSLNSA-N 2 2 282.388 -0.608 20 0 CBADLP CC[NH+]1CCN(C(=O)NC[C@H]2COCC[N@@H+]2C)CC1 ZINC000637444627 357351773 /nfs/dbraw/zinc/35/17/73/357351773.db2.gz DKUZHCKTKAQZMF-LBPRGKRZSA-N 2 2 270.377 -0.336 20 0 CBADLP CC[NH+]1CCN(C(=O)NC[C@H]2COCC[N@H+]2C)CC1 ZINC000637444627 357351775 /nfs/dbraw/zinc/35/17/75/357351775.db2.gz DKUZHCKTKAQZMF-LBPRGKRZSA-N 2 2 270.377 -0.336 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000637448986 357352227 /nfs/dbraw/zinc/35/22/27/357352227.db2.gz XUROUKKDKKNKCM-KBPBESRZSA-N 2 2 294.399 -0.027 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000637448986 357352232 /nfs/dbraw/zinc/35/22/32/357352232.db2.gz XUROUKKDKKNKCM-KBPBESRZSA-N 2 2 294.399 -0.027 20 0 CBADLP CC(C)[C@@](C)(C[NH3+])NC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000637850975 357377145 /nfs/dbraw/zinc/37/71/45/357377145.db2.gz MMXLHGXOHRNRBB-ZWNOBZJWSA-N 2 2 270.377 -0.704 20 0 CBADLP C[C@H](C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)N1CC[NH2+]CC1=O ZINC000638248290 357443904 /nfs/dbraw/zinc/44/39/04/357443904.db2.gz NVCADVWZJNZXBD-UTUOFQBUSA-N 2 2 280.372 -0.983 20 0 CBADLP CN(Cc1c[nH+]c(N)nc1N)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000638031128 357402239 /nfs/dbraw/zinc/40/22/39/357402239.db2.gz LXONXWUJIRRZAI-LLVKDONJSA-N 2 2 262.361 -0.030 20 0 CBADLP CN(Cc1c[nH+]c(N)nc1N)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000638031128 357402243 /nfs/dbraw/zinc/40/22/43/357402243.db2.gz LXONXWUJIRRZAI-LLVKDONJSA-N 2 2 262.361 -0.030 20 0 CBADLP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000638048804 357404780 /nfs/dbraw/zinc/40/47/80/357404780.db2.gz HNKICDKUAGUORY-WFASDCNBSA-N 2 2 299.415 -0.020 20 0 CBADLP C[C@@H](C(=O)NCC(C)(C)C[NH+](C)C)N1CC[NH2+]CC1=O ZINC000638047681 357405144 /nfs/dbraw/zinc/40/51/44/357405144.db2.gz JLKMITHRIAPEIL-NSHDSACASA-N 2 2 284.404 -0.489 20 0 CBADLP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638048011 357405428 /nfs/dbraw/zinc/40/54/28/357405428.db2.gz MEEBEGJVVHPAPT-RYUDHWBXSA-N 2 2 282.388 -0.593 20 0 CBADLP CC[N@H+]1CCC[C@H]1CNC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638048011 357405431 /nfs/dbraw/zinc/40/54/31/357405431.db2.gz MEEBEGJVVHPAPT-RYUDHWBXSA-N 2 2 282.388 -0.593 20 0 CBADLP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCCn2cc[nH+]c2)C1 ZINC000638051652 357405840 /nfs/dbraw/zinc/40/58/40/357405840.db2.gz NSMWAXKPEZUUOU-CMPLNLGQSA-N 2 2 252.318 -0.234 20 0 CBADLP C[C@]1(C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C[NH2+]CCO1 ZINC000638051968 357405854 /nfs/dbraw/zinc/40/58/54/357405854.db2.gz VGUSEVCXTPXTFB-UKRRQHHQSA-N 2 2 297.399 -0.312 20 0 CBADLP CC[N@@H+]1CCN(Cc2c[nH+]c(N)nc2N)C[C@@H]1C ZINC000638057018 357407264 /nfs/dbraw/zinc/40/72/64/357407264.db2.gz TUXGURKMLWONKP-VIFPVBQESA-N 2 2 250.350 -0.172 20 0 CBADLP CC[N@H+]1CCN(Cc2c[nH+]c(N)nc2N)C[C@@H]1C ZINC000638057018 357407269 /nfs/dbraw/zinc/40/72/69/357407269.db2.gz TUXGURKMLWONKP-VIFPVBQESA-N 2 2 250.350 -0.172 20 0 CBADLP C[C@@H](C(=O)N1CC[NH+](C2CC2)CC1)N1CC[NH2+]CC1=O ZINC000638063132 357408265 /nfs/dbraw/zinc/40/82/65/357408265.db2.gz RQNDXUFLHKDOBZ-NSHDSACASA-N 2 2 280.372 -0.887 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638071038 357409835 /nfs/dbraw/zinc/40/98/35/357409835.db2.gz ZBGAQFYDAXLROF-CMPLNLGQSA-N 2 2 253.346 -0.129 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638071039 357410200 /nfs/dbraw/zinc/41/02/00/357410200.db2.gz ZBGAQFYDAXLROF-JQWIXIFHSA-N 2 2 253.346 -0.129 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638074414 357410594 /nfs/dbraw/zinc/41/05/94/357410594.db2.gz XJJKWYGROWXVEA-CMPLNLGQSA-N 2 2 252.318 -0.234 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638073570 357410894 /nfs/dbraw/zinc/41/08/94/357410894.db2.gz NRXWEAICTRSFDS-GHMZBOCLSA-N 2 2 279.344 -0.792 20 0 CBADLP C[C@H](C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)N1CC[NH2+]CC1=O ZINC000638072897 357411033 /nfs/dbraw/zinc/41/10/33/357411033.db2.gz RLJFLLBWSRKNEI-UPJWGTAASA-N 2 2 294.399 -0.450 20 0 CBADLP C[C@H](C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1)N1CC[NH2+]CC1=O ZINC000638072897 357411037 /nfs/dbraw/zinc/41/10/37/357411037.db2.gz RLJFLLBWSRKNEI-UPJWGTAASA-N 2 2 294.399 -0.450 20 0 CBADLP C[C@@H](C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CC[NH2+]CC1=O ZINC000638072289 357411241 /nfs/dbraw/zinc/41/12/41/357411241.db2.gz MDQMVSOXUPKHOL-RYUDHWBXSA-N 2 2 294.399 -0.593 20 0 CBADLP C[C@@H](C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)N1CC[NH2+]CC1=O ZINC000638072289 357411243 /nfs/dbraw/zinc/41/12/43/357411243.db2.gz MDQMVSOXUPKHOL-RYUDHWBXSA-N 2 2 294.399 -0.593 20 0 CBADLP CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@H](C)N2CC[NH2+]CC2=O)C1 ZINC000638078209 357411831 /nfs/dbraw/zinc/41/18/31/357411831.db2.gz FMPFRBVEOLPWJN-QWHCGFSZSA-N 2 2 296.415 -0.347 20 0 CBADLP CC(C)[N@H+]1CC[C@H](CNC(=O)[C@H](C)N2CC[NH2+]CC2=O)C1 ZINC000638078209 357411839 /nfs/dbraw/zinc/41/18/39/357411839.db2.gz FMPFRBVEOLPWJN-QWHCGFSZSA-N 2 2 296.415 -0.347 20 0 CBADLP CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)N2CC[NH2+]CC2=O)C1 ZINC000638078207 357411955 /nfs/dbraw/zinc/41/19/55/357411955.db2.gz FMPFRBVEOLPWJN-CHWSQXEVSA-N 2 2 296.415 -0.347 20 0 CBADLP CC(C)[N@H+]1CC[C@H](CNC(=O)[C@@H](C)N2CC[NH2+]CC2=O)C1 ZINC000638078207 357411959 /nfs/dbraw/zinc/41/19/59/357411959.db2.gz FMPFRBVEOLPWJN-CHWSQXEVSA-N 2 2 296.415 -0.347 20 0 CBADLP C[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1C)N1CC[NH2+]CC1=O ZINC000638076766 357412023 /nfs/dbraw/zinc/41/20/23/357412023.db2.gz NNHKQBRJCFQFGD-QWRGUYRKSA-N 2 2 268.361 -0.983 20 0 CBADLP C[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1C)N1CC[NH2+]CC1=O ZINC000638076766 357412028 /nfs/dbraw/zinc/41/20/28/357412028.db2.gz NNHKQBRJCFQFGD-QWRGUYRKSA-N 2 2 268.361 -0.983 20 0 CBADLP C[C@@H](C(=O)N[C@H]1CC[N@@H+](C2CC2)C1)N1CC[NH2+]CC1=O ZINC000638081197 357412712 /nfs/dbraw/zinc/41/27/12/357412712.db2.gz IDFAELORVPELRC-QWRGUYRKSA-N 2 2 280.372 -0.840 20 0 CBADLP C[C@@H](C(=O)N[C@H]1CC[N@H+](C2CC2)C1)N1CC[NH2+]CC1=O ZINC000638081197 357412715 /nfs/dbraw/zinc/41/27/15/357412715.db2.gz IDFAELORVPELRC-QWRGUYRKSA-N 2 2 280.372 -0.840 20 0 CBADLP O=C(CN1CC[NH2+]CC1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000638076997 357412796 /nfs/dbraw/zinc/41/27/96/357412796.db2.gz OGWQIONJQGVURX-CQSZACIVSA-N 2 2 296.415 -0.785 20 0 CBADLP COC[C@@]1(C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)CCCC[NH2+]1 ZINC000638089782 357414344 /nfs/dbraw/zinc/41/43/44/357414344.db2.gz DDTXGPVOCRKHSN-DZGCQCFKSA-N 2 2 299.415 -0.018 20 0 CBADLP COC[C@@]1(C(=O)NCC[N@H+]2CCO[C@@H](C)C2)CCCC[NH2+]1 ZINC000638089782 357414348 /nfs/dbraw/zinc/41/43/48/357414348.db2.gz DDTXGPVOCRKHSN-DZGCQCFKSA-N 2 2 299.415 -0.018 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)c2cnc(C[NH3+])nc2)CCO1 ZINC000638091804 357414503 /nfs/dbraw/zinc/41/45/03/357414503.db2.gz YZRPPAAOBDVDPS-SNVBAGLBSA-N 2 2 279.344 -0.614 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)c2cnc(C[NH3+])nc2)CCO1 ZINC000638091804 357414506 /nfs/dbraw/zinc/41/45/06/357414506.db2.gz YZRPPAAOBDVDPS-SNVBAGLBSA-N 2 2 279.344 -0.614 20 0 CBADLP CC1(C)C[N@H+](CCNC(=O)CN2CC[NH2+]CC2)CCO1 ZINC000638090988 357414759 /nfs/dbraw/zinc/41/47/59/357414759.db2.gz NATKJCWHFGIHBQ-UHFFFAOYSA-N 2 2 284.404 -0.881 20 0 CBADLP CC1(C)C[N@@H+](CCNC(=O)CN2CC[NH2+]CC2)CCO1 ZINC000638090988 357414760 /nfs/dbraw/zinc/41/47/60/357414760.db2.gz NATKJCWHFGIHBQ-UHFFFAOYSA-N 2 2 284.404 -0.881 20 0 CBADLP C[C@H](C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)N1CC[NH2+]CC1=O ZINC000638242285 357442495 /nfs/dbraw/zinc/44/24/95/357442495.db2.gz WWBBDLVHFUDZFA-JHJVBQTASA-N 2 2 296.415 -0.312 20 0 CBADLP C[C@@H](C(=O)N1CC[C@@H]([NH+]2CCCC2)C1)N1CC[NH2+]CC1=O ZINC000638093544 357415479 /nfs/dbraw/zinc/41/54/79/357415479.db2.gz FFDBINFRRDGSTL-QWHCGFSZSA-N 2 2 294.399 -0.497 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)CCC1C[NH2+]C1 ZINC000638097822 357416135 /nfs/dbraw/zinc/41/61/35/357416135.db2.gz HAYILAMGGIYZOL-LLVKDONJSA-N 2 2 255.362 -0.177 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)CCC1C[NH2+]C1 ZINC000638097822 357416137 /nfs/dbraw/zinc/41/61/37/357416137.db2.gz HAYILAMGGIYZOL-LLVKDONJSA-N 2 2 255.362 -0.177 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638100317 357416862 /nfs/dbraw/zinc/41/68/62/357416862.db2.gz YJWFSQYPEDZQCV-DGCLKSJQSA-N 2 2 271.361 -0.798 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638100317 357416867 /nfs/dbraw/zinc/41/68/67/357416867.db2.gz YJWFSQYPEDZQCV-DGCLKSJQSA-N 2 2 271.361 -0.798 20 0 CBADLP C[C@@H](CNC(=O)[C@H](C)N1CC[NH2+]CC1=O)[N@H+](C)C1CC1 ZINC000638101070 357417043 /nfs/dbraw/zinc/41/70/43/357417043.db2.gz NAEZGEVSUGDYPL-QWRGUYRKSA-N 2 2 282.388 -0.594 20 0 CBADLP C[C@@H](CNC(=O)[C@H](C)N1CC[NH2+]CC1=O)[N@@H+](C)C1CC1 ZINC000638101070 357417045 /nfs/dbraw/zinc/41/70/45/357417045.db2.gz NAEZGEVSUGDYPL-QWRGUYRKSA-N 2 2 282.388 -0.594 20 0 CBADLP C[C@H](NC(=O)c1cnc(C[NH3+])nc1)[C@H](C)[NH+]1CCOCC1 ZINC000638101127 357417108 /nfs/dbraw/zinc/41/71/08/357417108.db2.gz NRTCXGPUCHIQGH-QWRGUYRKSA-N 2 2 293.371 -0.226 20 0 CBADLP C[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1)N1CC[NH2+]CC1=O ZINC000638100235 357417138 /nfs/dbraw/zinc/41/71/38/357417138.db2.gz LLESUGDMUXBBPQ-AAEUAGOBSA-N 2 2 294.399 -0.498 20 0 CBADLP C[C@@H](C(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1)N1CC[NH2+]CC1=O ZINC000638100235 357417141 /nfs/dbraw/zinc/41/71/41/357417141.db2.gz LLESUGDMUXBBPQ-AAEUAGOBSA-N 2 2 294.399 -0.498 20 0 CBADLP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCC[N@@H+]2CCOC[C@H]2C)C1 ZINC000638099388 357417381 /nfs/dbraw/zinc/41/73/81/357417381.db2.gz UNSQHAMHCVUBFR-MBNYWOFBSA-N 2 2 285.388 -0.410 20 0 CBADLP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCC[N@H+]2CCOC[C@H]2C)C1 ZINC000638099388 357417383 /nfs/dbraw/zinc/41/73/83/357417383.db2.gz UNSQHAMHCVUBFR-MBNYWOFBSA-N 2 2 285.388 -0.410 20 0 CBADLP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638108222 357419676 /nfs/dbraw/zinc/41/96/76/357419676.db2.gz KSCZCDJNDSGTRL-CHWSQXEVSA-N 2 2 296.415 -0.251 20 0 CBADLP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638108222 357419679 /nfs/dbraw/zinc/41/96/79/357419679.db2.gz KSCZCDJNDSGTRL-CHWSQXEVSA-N 2 2 296.415 -0.251 20 0 CBADLP [NH3+]C[C@@]1(C(=O)NCCc2[nH]cc[nH+]2)CCCOC1 ZINC000638114241 357420262 /nfs/dbraw/zinc/42/02/62/357420262.db2.gz UJHDYZVCEGZUQE-LBPRGKRZSA-N 2 2 252.318 -0.176 20 0 CBADLP [NH3+]C[C@]1(C(=O)NCCc2[nH]cc[nH+]2)CCCOC1 ZINC000638114240 357421003 /nfs/dbraw/zinc/42/10/03/357421003.db2.gz UJHDYZVCEGZUQE-GFCCVEGCSA-N 2 2 252.318 -0.176 20 0 CBADLP C[C@@H](C(=O)NCC[N@@H+]1CC[C@H](C)C1)N1CC[NH2+]CC1=O ZINC000638125044 357422079 /nfs/dbraw/zinc/42/20/79/357422079.db2.gz CDWBMSYRWQNOAE-RYUDHWBXSA-N 2 2 282.388 -0.735 20 0 CBADLP C[C@@H](C(=O)NCC[N@H+]1CC[C@H](C)C1)N1CC[NH2+]CC1=O ZINC000638125044 357422081 /nfs/dbraw/zinc/42/20/81/357422081.db2.gz CDWBMSYRWQNOAE-RYUDHWBXSA-N 2 2 282.388 -0.735 20 0 CBADLP CC[NH2+][C@@H](C)C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000638126806 357422511 /nfs/dbraw/zinc/42/25/11/357422511.db2.gz ZLCCRFLHYPSHRM-JTQLQIEISA-N 2 2 270.377 -0.608 20 0 CBADLP C[C@@H](C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)N1CC[NH2+]CC1=O ZINC000638125659 357422679 /nfs/dbraw/zinc/42/26/79/357422679.db2.gz YMNLGZBIHSNYAJ-AGIUHOORSA-N 2 2 296.415 -0.252 20 0 CBADLP C[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1)N1CC[NH2+]CC1=O ZINC000638125659 357422685 /nfs/dbraw/zinc/42/26/85/357422685.db2.gz YMNLGZBIHSNYAJ-AGIUHOORSA-N 2 2 296.415 -0.252 20 0 CBADLP C[C@H](C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1)N1CC[NH2+]CC1=O ZINC000638153650 357427163 /nfs/dbraw/zinc/42/71/63/357427163.db2.gz FABKCCCDVVFDMV-HBNTYKKESA-N 2 2 268.361 -0.998 20 0 CBADLP CCc1c[nH]c(CC(=O)NCC[NH2+]CCOC)[nH+]1 ZINC000638153014 357427538 /nfs/dbraw/zinc/42/75/38/357427538.db2.gz NALKUJZXXNUHLU-UHFFFAOYSA-N 2 2 254.334 -0.133 20 0 CBADLP CCC[C@@H]1C[NH2+]CCN1C(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638160526 357428556 /nfs/dbraw/zinc/42/85/56/357428556.db2.gz MCVDPAXKZLPJAN-VXGBXAGGSA-N 2 2 282.388 -0.593 20 0 CBADLP CCc1c[nH]c(CC(=O)N2CCO[C@H](C[NH3+])C2)[nH+]1 ZINC000638173783 357431584 /nfs/dbraw/zinc/43/15/84/357431584.db2.gz KAUUACVMDYKARN-SNVBAGLBSA-N 2 2 252.318 -0.299 20 0 CBADLP CC(C)[C@H]1CN(C(=O)[C@H](C)N2CC[NH2+]CC2=O)CC[NH2+]1 ZINC000638196573 357433006 /nfs/dbraw/zinc/43/30/06/357433006.db2.gz DBNNXSJNDMNRLS-NWDGAFQWSA-N 2 2 282.388 -0.737 20 0 CBADLP NS(=O)(=O)c1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000638186387 357433314 /nfs/dbraw/zinc/43/33/14/357433314.db2.gz SJNUDJGGJLEIRM-RYUDHWBXSA-N 2 2 281.381 -0.015 20 0 CBADLP C[C@H](C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1)N1CC[NH2+]CC1=O ZINC000638198668 357434279 /nfs/dbraw/zinc/43/42/79/357434279.db2.gz LABQWPRNNMVOLR-UTUOFQBUSA-N 2 2 280.372 -0.983 20 0 CBADLP C[C@@H](C(=O)N1CCC[C@@H](CC[NH3+])C1)N1CC[NH2+]CC1=O ZINC000638216643 357435880 /nfs/dbraw/zinc/43/58/80/357435880.db2.gz JUYQESGTWQCMIF-RYUDHWBXSA-N 2 2 282.388 -0.606 20 0 CBADLP C[C@@H](C(=O)N[C@H]1[C@H](C)CC[NH2+][C@@H]1C)N1CC[NH2+]CC1=O ZINC000638231128 357440187 /nfs/dbraw/zinc/44/01/87/357440187.db2.gz NMXHOVHQAXUSNZ-DCQANWLSSA-N 2 2 282.388 -0.691 20 0 CBADLP C[N@@H+]1CCN(C(=O)Cc2cnn3c2CCCC3)[C@H](C[NH3+])C1 ZINC000637863617 357378610 /nfs/dbraw/zinc/37/86/10/357378610.db2.gz DPLWSJUSICPPQS-CYBMUJFWSA-N 2 2 291.399 -0.137 20 0 CBADLP C[N@H+]1CCN(C(=O)Cc2cnn3c2CCCC3)[C@H](C[NH3+])C1 ZINC000637863617 357378612 /nfs/dbraw/zinc/37/86/12/357378612.db2.gz DPLWSJUSICPPQS-CYBMUJFWSA-N 2 2 291.399 -0.137 20 0 CBADLP Cc1nn(C)cc1CC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000637863691 357378751 /nfs/dbraw/zinc/37/87/51/357378751.db2.gz GVRQSFTXMSGVHJ-GFCCVEGCSA-N 2 2 265.361 -0.628 20 0 CBADLP Cc1nn(C)cc1CC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000637863691 357378753 /nfs/dbraw/zinc/37/87/53/357378753.db2.gz GVRQSFTXMSGVHJ-GFCCVEGCSA-N 2 2 265.361 -0.628 20 0 CBADLP CN1CCCC[C@@H](C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])C1=O ZINC000637867000 357378980 /nfs/dbraw/zinc/37/89/80/357378980.db2.gz RGURNILKALWYBS-NWDGAFQWSA-N 2 2 282.388 -0.654 20 0 CBADLP CN1CCCC[C@@H](C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])C1=O ZINC000637867000 357378983 /nfs/dbraw/zinc/37/89/83/357378983.db2.gz RGURNILKALWYBS-NWDGAFQWSA-N 2 2 282.388 -0.654 20 0 CBADLP C[N@@H+]1CC[C@H](CC(=O)N2CC[NH+](C)C[C@H]2C[NH3+])C1 ZINC000637866349 357379488 /nfs/dbraw/zinc/37/94/88/357379488.db2.gz KXRNSONKKJYAQN-VXGBXAGGSA-N 3 2 254.378 -0.571 20 0 CBADLP C[N@H+]1CC[C@H](CC(=O)N2CC[NH+](C)C[C@H]2C[NH3+])C1 ZINC000637866349 357379489 /nfs/dbraw/zinc/37/94/89/357379489.db2.gz KXRNSONKKJYAQN-VXGBXAGGSA-N 3 2 254.378 -0.571 20 0 CBADLP C[NH+]1CC[C@H](CC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])C1 ZINC000637866349 357379490 /nfs/dbraw/zinc/37/94/90/357379490.db2.gz KXRNSONKKJYAQN-VXGBXAGGSA-N 3 2 254.378 -0.571 20 0 CBADLP C[NH+]1CC[C@H](CC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])C1 ZINC000637866349 357379491 /nfs/dbraw/zinc/37/94/91/357379491.db2.gz KXRNSONKKJYAQN-VXGBXAGGSA-N 3 2 254.378 -0.571 20 0 CBADLP Cc1c(CC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cnn1C ZINC000637864540 357379559 /nfs/dbraw/zinc/37/95/59/357379559.db2.gz SZJRKRVUWNIIJN-LBPRGKRZSA-N 2 2 265.361 -0.628 20 0 CBADLP Cc1c(CC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cnn1C ZINC000637864540 357379561 /nfs/dbraw/zinc/37/95/61/357379561.db2.gz SZJRKRVUWNIIJN-LBPRGKRZSA-N 2 2 265.361 -0.628 20 0 CBADLP C[NH2+]CCOCCN(C)C(=O)[C@@H](C)[NH+]1CCN(C)CC1 ZINC000638593020 357499430 /nfs/dbraw/zinc/49/94/30/357499430.db2.gz ZAXVLSXEJRAGNO-CYBMUJFWSA-N 2 2 286.420 -0.683 20 0 CBADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]CC(C)(C)N1CCOCC1 ZINC000638596772 357500521 /nfs/dbraw/zinc/50/05/21/357500521.db2.gz PSMQOQFECKQNBD-CQSZACIVSA-N 2 2 284.448 -0.067 20 0 CBADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]CC(C)(C)N1CCOCC1 ZINC000638596772 357500523 /nfs/dbraw/zinc/50/05/23/357500523.db2.gz PSMQOQFECKQNBD-CQSZACIVSA-N 2 2 284.448 -0.067 20 0 CBADLP CCc1c[nH]c(CC(=O)NC[C@H]2COCC[NH2+]2)[nH+]1 ZINC000638613447 357504946 /nfs/dbraw/zinc/50/49/46/357504946.db2.gz WWRASQMENBAEPX-JTQLQIEISA-N 2 2 252.318 -0.381 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000638612650 357505446 /nfs/dbraw/zinc/50/54/46/357505446.db2.gz WPFLZPMLXCFRHK-NEPJUHHUSA-N 2 2 267.373 -0.177 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000638612650 357505448 /nfs/dbraw/zinc/50/54/48/357505448.db2.gz WPFLZPMLXCFRHK-NEPJUHHUSA-N 2 2 267.373 -0.177 20 0 CBADLP CC[C@]1(C(=O)NC[C@@H]2COCC[N@@H+]2C)CCC[NH2+]1 ZINC000638612967 357505481 /nfs/dbraw/zinc/50/54/81/357505481.db2.gz YVBIIVJNUQLXJQ-DGCLKSJQSA-N 2 2 255.362 -0.035 20 0 CBADLP CC[C@]1(C(=O)NC[C@@H]2COCC[N@H+]2C)CCC[NH2+]1 ZINC000638612967 357505483 /nfs/dbraw/zinc/50/54/83/357505483.db2.gz YVBIIVJNUQLXJQ-DGCLKSJQSA-N 2 2 255.362 -0.035 20 0 CBADLP C[C@H](C(=O)N[C@H]1CC[NH2+]CC1(C)C)N1CC[NH2+]CC1=O ZINC000638261062 357444648 /nfs/dbraw/zinc/44/46/48/357444648.db2.gz BOSUAOMZCWOTTP-MNOVXSKESA-N 2 2 282.388 -0.689 20 0 CBADLP CN(Cc1[nH+]ccn1C)C(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638270411 357447199 /nfs/dbraw/zinc/44/71/99/357447199.db2.gz DOXBPLRUKHOURF-LBPRGKRZSA-N 2 2 252.318 -0.243 20 0 CBADLP COC[C@@]1(C(=O)N(C)CC[NH+]2CCOCC2)CCCC[NH2+]1 ZINC000638273937 357448167 /nfs/dbraw/zinc/44/81/67/357448167.db2.gz DNJLPEHCLKWYSI-OAHLLOKOSA-N 2 2 299.415 -0.064 20 0 CBADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)[C@@]2(C)C[NH2+]CCO2)C[C@H](C)O1 ZINC000638282684 357450674 /nfs/dbraw/zinc/45/06/74/357450674.db2.gz UGSHMDAWRICOKK-VNHYZAJKSA-N 2 2 299.415 -0.068 20 0 CBADLP C[C@@H]1C[N@H+](CCN(C)C(=O)[C@@]2(C)C[NH2+]CCO2)C[C@H](C)O1 ZINC000638282684 357450678 /nfs/dbraw/zinc/45/06/78/357450678.db2.gz UGSHMDAWRICOKK-VNHYZAJKSA-N 2 2 299.415 -0.068 20 0 CBADLP [NH3+][C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000638290054 357451277 /nfs/dbraw/zinc/45/12/77/357451277.db2.gz PLBNZJTWSXOPPP-WZRBSPASSA-N 2 2 276.340 -0.107 20 0 CBADLP C[C@@H](C(=O)N(C)[C@@H](C[NH3+])C1CC1)N1CC[NH2+]CC1=O ZINC000638331253 357458670 /nfs/dbraw/zinc/45/86/70/357458670.db2.gz FNSPGWZLCGFSNQ-ONGXEEELSA-N 2 2 268.361 -0.998 20 0 CBADLP C[C@@H](C(=O)N1CCC2(CC[NH2+]2)CC1)N1CC[NH2+]CC1=O ZINC000638355595 357461718 /nfs/dbraw/zinc/46/17/18/357461718.db2.gz NXYCSIOJSQXDMU-NSHDSACASA-N 2 2 280.372 -0.839 20 0 CBADLP C[C@@H](C(=O)N[C@@H]1CCC[NH2+][C@@H]1C)N1CC[NH2+]CC1=O ZINC000638350715 357461848 /nfs/dbraw/zinc/46/18/48/357461848.db2.gz QQGAYFNDVLYTLG-OUAUKWLOSA-N 2 2 268.361 -0.937 20 0 CBADLP C[C@@H](C(=O)N1C[C@@H](C[NH3+])[C@H](C)C[C@@H]1C)N1CC[NH2+]CC1=O ZINC000638357295 357462593 /nfs/dbraw/zinc/46/25/93/357462593.db2.gz ONRKOQYOJZKUKI-MROQNXINSA-N 2 2 296.415 -0.362 20 0 CBADLP Nc1ncc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c(N)n1 ZINC000638358307 357462895 /nfs/dbraw/zinc/46/28/95/357462895.db2.gz BRYMPWOTARXEAU-SECBINFHSA-N 2 2 262.361 -0.124 20 0 CBADLP Nc1ncc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c(N)n1 ZINC000638358307 357462897 /nfs/dbraw/zinc/46/28/97/357462897.db2.gz BRYMPWOTARXEAU-SECBINFHSA-N 2 2 262.361 -0.124 20 0 CBADLP CC(C)C[N@H+](C)CCCNC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638382529 357464633 /nfs/dbraw/zinc/46/46/33/357464633.db2.gz VUXYTGRANXGLNY-CYBMUJFWSA-N 2 2 298.431 -0.099 20 0 CBADLP CC(C)C[N@@H+](C)CCCNC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638382529 357464636 /nfs/dbraw/zinc/46/46/36/357464636.db2.gz VUXYTGRANXGLNY-CYBMUJFWSA-N 2 2 298.431 -0.099 20 0 CBADLP C[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1)N1CC[NH2+]CC1=O ZINC000638383287 357465068 /nfs/dbraw/zinc/46/50/68/357465068.db2.gz FAMJEXVRGHMAPL-XUJVJEKNSA-N 2 2 294.399 -0.606 20 0 CBADLP C[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1)N1CC[NH2+]CC1=O ZINC000638383286 357465076 /nfs/dbraw/zinc/46/50/76/357465076.db2.gz FAMJEXVRGHMAPL-HUBLWGQQSA-N 2 2 294.399 -0.606 20 0 CBADLP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cnc(N)nc2N)C1 ZINC000638381043 357465104 /nfs/dbraw/zinc/46/51/04/357465104.db2.gz HYIUDCWALHNLIA-SECBINFHSA-N 2 2 250.350 -0.267 20 0 CBADLP CC[N@H+]1CC[C@H](C[NH2+]Cc2cnc(N)nc2N)C1 ZINC000638381043 357465107 /nfs/dbraw/zinc/46/51/07/357465107.db2.gz HYIUDCWALHNLIA-SECBINFHSA-N 2 2 250.350 -0.267 20 0 CBADLP C[C@H](C(=O)NCCC1(C[NH3+])CC1)N1CC[NH2+]CC1=O ZINC000638386000 357465181 /nfs/dbraw/zinc/46/51/81/357465181.db2.gz NLNIKGIDVDWDPS-SNVBAGLBSA-N 2 2 268.361 -0.948 20 0 CBADLP C[C@@H](C(=O)N1CCC[C@@H](C)[C@H]1CC[NH3+])N1CC[NH2+]CC1=O ZINC000638388829 357465514 /nfs/dbraw/zinc/46/55/14/357465514.db2.gz AOFLWRAPBULNRR-FRRDWIJNSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@H](C(=O)N1CCC[C@@H](C)[C@H]1CC[NH3+])N1CC[NH2+]CC1=O ZINC000638388830 357465860 /nfs/dbraw/zinc/46/58/60/357465860.db2.gz AOFLWRAPBULNRR-JHJVBQTASA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)c2cnc(C[NH3+])nc2)[C@H](C)CO1 ZINC000638407420 357469305 /nfs/dbraw/zinc/46/93/05/357469305.db2.gz VPLWZXLHXWABOS-GHMZBOCLSA-N 2 2 293.371 -0.226 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)c2cnc(C[NH3+])nc2)[C@H](C)CO1 ZINC000638407420 357469308 /nfs/dbraw/zinc/46/93/08/357469308.db2.gz VPLWZXLHXWABOS-GHMZBOCLSA-N 2 2 293.371 -0.226 20 0 CBADLP C[C@H](C(=O)NCC1([NH3+])CCCC1)N1CC[NH2+]CC1=O ZINC000638410531 357470272 /nfs/dbraw/zinc/47/02/72/357470272.db2.gz FCLYODQHXXUVBE-SNVBAGLBSA-N 2 2 268.361 -0.806 20 0 CBADLP C[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)N1CC[NH2+]CC1=O ZINC000638417348 357471798 /nfs/dbraw/zinc/47/17/98/357471798.db2.gz ZCZDHAVIHHXLHR-WODVXLOZSA-N 2 2 294.399 -0.452 20 0 CBADLP C[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)N1CC[NH2+]CC1=O ZINC000638417348 357471804 /nfs/dbraw/zinc/47/18/04/357471804.db2.gz ZCZDHAVIHHXLHR-WODVXLOZSA-N 2 2 294.399 -0.452 20 0 CBADLP CC[NH2+][C@H](C)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000638414908 357472108 /nfs/dbraw/zinc/47/21/08/357472108.db2.gz UUSSYWYZSFVICE-NEPJUHHUSA-N 2 2 255.362 -0.083 20 0 CBADLP CCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)N2CC[NH2+]CC2=O)C1 ZINC000638424721 357474416 /nfs/dbraw/zinc/47/44/16/357474416.db2.gz IVFFOEARQJOJBU-RYUDHWBXSA-N 2 2 282.388 -0.593 20 0 CBADLP CCC[N@H+]1CC[C@H](NC(=O)[C@H](C)N2CC[NH2+]CC2=O)C1 ZINC000638424721 357474418 /nfs/dbraw/zinc/47/44/18/357474418.db2.gz IVFFOEARQJOJBU-RYUDHWBXSA-N 2 2 282.388 -0.593 20 0 CBADLP [NH3+][C@H]1CC=C(C(=O)NC[C@H]2CN3CC[N@@H+]2CCC3)C1 ZINC000638427587 357474997 /nfs/dbraw/zinc/47/49/97/357474997.db2.gz VFWQMAIGGJDWOD-STQMWFEESA-N 2 2 264.373 -0.460 20 0 CBADLP [NH3+][C@H]1CC=C(C(=O)NC[C@H]2CN3CC[N@H+]2CCC3)C1 ZINC000638427587 357475000 /nfs/dbraw/zinc/47/50/00/357475000.db2.gz VFWQMAIGGJDWOD-STQMWFEESA-N 2 2 264.373 -0.460 20 0 CBADLP Cn1cc(CCC[NH2+]CC(=O)N2CC[NH+](C)CC2)cn1 ZINC000638439362 357477434 /nfs/dbraw/zinc/47/74/34/357477434.db2.gz GDQHOCTWBNODSL-UHFFFAOYSA-N 2 2 279.388 -0.284 20 0 CBADLP CCc1c[nH]c(CC(=O)N2CCOC3(C[NH2+]C3)C2)[nH+]1 ZINC000638440408 357477462 /nfs/dbraw/zinc/47/74/62/357477462.db2.gz RGRYVRJKJLQTOR-UHFFFAOYSA-N 2 2 264.329 -0.285 20 0 CBADLP C[C@H](Cc1cnccn1)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000638439438 357477711 /nfs/dbraw/zinc/47/77/11/357477711.db2.gz HCUJMSCAERKKIK-GFCCVEGCSA-N 2 2 277.372 -0.229 20 0 CBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1CCCC[NH2+]1 ZINC000638446318 357478426 /nfs/dbraw/zinc/47/84/26/357478426.db2.gz OGAJBOOCYQZDHK-QWHCGFSZSA-N 2 2 285.388 -0.720 20 0 CBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CCC(C)(C)[NH3+] ZINC000638446736 357478608 /nfs/dbraw/zinc/47/86/08/357478608.db2.gz RBRXPZYVZDRZGD-GFCCVEGCSA-N 2 2 287.404 -0.345 20 0 CBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CCCC[NH2+]1 ZINC000638446317 357478843 /nfs/dbraw/zinc/47/88/43/357478843.db2.gz OGAJBOOCYQZDHK-OLZOCXBDSA-N 2 2 285.388 -0.720 20 0 CBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1[NH2+]CCC1(C)C ZINC000638445302 357479138 /nfs/dbraw/zinc/47/91/38/357479138.db2.gz FLPRNIYZMVEHBJ-CHWSQXEVSA-N 2 2 299.415 -0.474 20 0 CBADLP CC[NH2+][C@@H](C)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000638446310 357479300 /nfs/dbraw/zinc/47/93/00/357479300.db2.gz NPGJSQCHPLSDKU-RYUDHWBXSA-N 2 2 273.377 -0.864 20 0 CBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]([NH3+])C(C)(C)C ZINC000638447003 357480291 /nfs/dbraw/zinc/48/02/91/357480291.db2.gz YZBPWQCNSZQTFH-NWDGAFQWSA-N 2 2 287.404 -0.489 20 0 CBADLP CN(C)c1[nH+]cc(CN2CC[N@H+](C)C[C@@H]2CO)n1C ZINC000639333768 357567343 /nfs/dbraw/zinc/56/73/43/357567343.db2.gz LDSPSJZTFTWDIA-GFCCVEGCSA-N 2 2 267.377 -0.406 20 0 CBADLP CN(C)c1[nH+]cc(CN2CC[N@@H+](C)C[C@@H]2CO)n1C ZINC000639333768 357567347 /nfs/dbraw/zinc/56/73/47/357567347.db2.gz LDSPSJZTFTWDIA-GFCCVEGCSA-N 2 2 267.377 -0.406 20 0 CBADLP Cn1c[nH+]cc1CC[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000639551288 357578014 /nfs/dbraw/zinc/57/80/14/357578014.db2.gz JEQQMYQSOYIPNA-JTQLQIEISA-N 2 2 263.301 -0.801 20 0 CBADLP Cn1c[nH+]cc1CC[N@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000639551288 357578017 /nfs/dbraw/zinc/57/80/17/357578017.db2.gz JEQQMYQSOYIPNA-JTQLQIEISA-N 2 2 263.301 -0.801 20 0 CBADLP CO[C@@]1(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)CCOC1 ZINC000639349065 357568889 /nfs/dbraw/zinc/56/88/89/357568889.db2.gz LQERJGLZBSXMII-GXTWGEPZSA-N 2 2 285.388 -0.279 20 0 CBADLP CO[C@@]1(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)CCOC1 ZINC000639349065 357568891 /nfs/dbraw/zinc/56/88/91/357568891.db2.gz LQERJGLZBSXMII-GXTWGEPZSA-N 2 2 285.388 -0.279 20 0 CBADLP O[C@@H]1C[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C[C@@H]1O ZINC000639508996 357575242 /nfs/dbraw/zinc/57/52/42/357575242.db2.gz WHMQKGVZQIBUQJ-XHSDSOJGSA-N 2 2 292.379 -0.339 20 0 CBADLP O[C@@H]1C[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C[C@@H]1O ZINC000639508996 357575243 /nfs/dbraw/zinc/57/52/43/357575243.db2.gz WHMQKGVZQIBUQJ-XHSDSOJGSA-N 2 2 292.379 -0.339 20 0 CBADLP O[C@@H]1C[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C[C@@H]1O ZINC000639508996 357575244 /nfs/dbraw/zinc/57/52/44/357575244.db2.gz WHMQKGVZQIBUQJ-XHSDSOJGSA-N 2 2 292.379 -0.339 20 0 CBADLP O[C@@H]1C[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C[C@@H]1O ZINC000639508996 357575245 /nfs/dbraw/zinc/57/52/45/357575245.db2.gz WHMQKGVZQIBUQJ-XHSDSOJGSA-N 2 2 292.379 -0.339 20 0 CBADLP C[C@H]1C[C@H]([NH2+]Cc2cnc(N)nc2N)CC[N@@H+]1C ZINC000638707132 357523088 /nfs/dbraw/zinc/52/30/88/357523088.db2.gz IOAPWTPIQGNAGJ-WCBMZHEXSA-N 2 2 250.350 -0.126 20 0 CBADLP C[C@H]1C[C@H]([NH2+]Cc2cnc(N)nc2N)CC[N@H+]1C ZINC000638707132 357523089 /nfs/dbraw/zinc/52/30/89/357523089.db2.gz IOAPWTPIQGNAGJ-WCBMZHEXSA-N 2 2 250.350 -0.126 20 0 CBADLP C[C@@H]1CC[N@H+](CCNCc2c[nH+]c(N)nc2N)C1 ZINC000638870975 357540238 /nfs/dbraw/zinc/54/02/38/357540238.db2.gz HSVPGGNOIYRGBY-SECBINFHSA-N 2 2 250.350 -0.267 20 0 CBADLP C[C@@H]1CC[N@@H+](CCNCc2c[nH+]c(N)nc2N)C1 ZINC000638870975 357540241 /nfs/dbraw/zinc/54/02/41/357540241.db2.gz HSVPGGNOIYRGBY-SECBINFHSA-N 2 2 250.350 -0.267 20 0 CBADLP C[C@@H](C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1)[NH+]1CCN(C)CC1 ZINC000638892993 357540813 /nfs/dbraw/zinc/54/08/13/357540813.db2.gz KZVBGHQWFORPHJ-FRRDWIJNSA-N 2 2 268.405 -0.325 20 0 CBADLP C[N@@H+]1CC[C@H]2CCN(Cc3c[nH+]c(N)nc3N)[C@H]2C1 ZINC000638917945 357542994 /nfs/dbraw/zinc/54/29/94/357542994.db2.gz KFNCXVWJCJPUDM-ONGXEEELSA-N 2 2 262.361 -0.172 20 0 CBADLP C[N@H+]1CC[C@H]2CCN(Cc3c[nH+]c(N)nc3N)[C@H]2C1 ZINC000638917945 357543000 /nfs/dbraw/zinc/54/30/00/357543000.db2.gz KFNCXVWJCJPUDM-ONGXEEELSA-N 2 2 262.361 -0.172 20 0 CBADLP CC[C@H]([NH3+])C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000639004659 357550668 /nfs/dbraw/zinc/55/06/68/357550668.db2.gz QVUBDUMNOMIUFY-ZDUSSCGKSA-N 2 2 277.372 -0.099 20 0 CBADLP [NH3+]CCCC(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000639003312 357550824 /nfs/dbraw/zinc/55/08/24/357550824.db2.gz GOWRGKRKPFULRJ-UHFFFAOYSA-N 2 2 277.372 -0.098 20 0 CBADLP CC1(C(=O)N2CC[NH+](CCc3cnccn3)CC2)C[NH2+]C1 ZINC000639003569 357550935 /nfs/dbraw/zinc/55/09/35/357550935.db2.gz IGULSOKMAHJAQZ-UHFFFAOYSA-N 2 2 289.383 -0.227 20 0 CBADLP CC(C)[C@H]1CN(C(=O)[C@@H](C)N2CC[NH2+]CC2=O)CC[N@@H+]1C ZINC000639018702 357553150 /nfs/dbraw/zinc/55/31/50/357553150.db2.gz SLFKEFLRXHRNDE-CHWSQXEVSA-N 2 2 296.415 -0.395 20 0 CBADLP CC(C)[C@H]1CN(C(=O)[C@@H](C)N2CC[NH2+]CC2=O)CC[N@H+]1C ZINC000639018702 357553156 /nfs/dbraw/zinc/55/31/56/357553156.db2.gz SLFKEFLRXHRNDE-CHWSQXEVSA-N 2 2 296.415 -0.395 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCCOC(F)(F)F ZINC000639033921 357555042 /nfs/dbraw/zinc/55/50/42/357555042.db2.gz SOOPBARXCGDLOA-SSDOTTSWSA-N 2 2 257.256 -0.082 20 0 CBADLP CC(C)(CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1)[NH+]1CCOCC1 ZINC000639299422 357566140 /nfs/dbraw/zinc/56/61/40/357566140.db2.gz OAUVASWQZPDDGT-UONOGXRCSA-N 2 2 283.416 -0.152 20 0 CBADLP CC(C)(CN1CC[N@H+]2C[C@H](O)C[C@H]2C1)[NH+]1CCOCC1 ZINC000639299422 357566141 /nfs/dbraw/zinc/56/61/41/357566141.db2.gz OAUVASWQZPDDGT-UONOGXRCSA-N 2 2 283.416 -0.152 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](OC)C[C@@]1(C)CO ZINC000640001887 357627401 /nfs/dbraw/zinc/62/74/01/357627401.db2.gz FFARMSGKVFLZLH-IHRRRGAJSA-N 2 2 290.404 -0.603 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](OC)C[C@@]1(C)CO ZINC000640001887 357627407 /nfs/dbraw/zinc/62/74/07/357627407.db2.gz FFARMSGKVFLZLH-IHRRRGAJSA-N 2 2 290.404 -0.603 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](OC)C[C@@]1(C)CO ZINC000640001887 357627410 /nfs/dbraw/zinc/62/74/10/357627410.db2.gz FFARMSGKVFLZLH-IHRRRGAJSA-N 2 2 290.404 -0.603 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](OC)C[C@@]1(C)CO ZINC000640001887 357627414 /nfs/dbraw/zinc/62/74/14/357627414.db2.gz FFARMSGKVFLZLH-IHRRRGAJSA-N 2 2 290.404 -0.603 20 0 CBADLP CO[C@@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)[C@@](C)(CO)C1 ZINC000640008498 357628433 /nfs/dbraw/zinc/62/84/33/357628433.db2.gz IURNEUOILLXXOX-GXTWGEPZSA-N 2 2 285.388 -0.768 20 0 CBADLP CO[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)[C@@](C)(CO)C1 ZINC000640008498 357628440 /nfs/dbraw/zinc/62/84/40/357628440.db2.gz IURNEUOILLXXOX-GXTWGEPZSA-N 2 2 285.388 -0.768 20 0 CBADLP C[NH+](C)C[C@]1(O)CCC[N@H+](CCCS(N)(=O)=O)C1 ZINC000639763472 357595988 /nfs/dbraw/zinc/59/59/88/357595988.db2.gz QUABLTKIUNBRRS-LLVKDONJSA-N 2 2 279.406 -0.947 20 0 CBADLP C[NH+](C)C[C@]1(O)CCC[N@@H+](CCCS(N)(=O)=O)C1 ZINC000639763472 357595992 /nfs/dbraw/zinc/59/59/92/357595992.db2.gz QUABLTKIUNBRRS-LLVKDONJSA-N 2 2 279.406 -0.947 20 0 CBADLP Cn1cc(CC[N@@H+]2CCC[C@@](O)(C[NH+](C)C)C2)nn1 ZINC000639761277 357596092 /nfs/dbraw/zinc/59/60/92/357596092.db2.gz FWWPIZKHIAIWQL-CYBMUJFWSA-N 2 2 267.377 -0.254 20 0 CBADLP Cn1cc(CC[N@H+]2CCC[C@@](O)(C[NH+](C)C)C2)nn1 ZINC000639761277 357596098 /nfs/dbraw/zinc/59/60/98/357596098.db2.gz FWWPIZKHIAIWQL-CYBMUJFWSA-N 2 2 267.377 -0.254 20 0 CBADLP CCN(C)C(=O)C[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639762199 357596359 /nfs/dbraw/zinc/59/63/59/357596359.db2.gz KQAMBMMLUYPKFR-CYBMUJFWSA-N 2 2 257.378 -0.147 20 0 CBADLP CCN(C)C(=O)C[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639762199 357596360 /nfs/dbraw/zinc/59/63/60/357596360.db2.gz KQAMBMMLUYPKFR-CYBMUJFWSA-N 2 2 257.378 -0.147 20 0 CBADLP C[NH+](C)C[C@@]1(O)CCC[N@H+](CCc2c[nH]nn2)C1 ZINC000639761699 357596463 /nfs/dbraw/zinc/59/64/63/357596463.db2.gz CZXZYFGLOBCGBE-LBPRGKRZSA-N 2 2 253.350 -0.264 20 0 CBADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CCc2c[nH]nn2)C1 ZINC000639761699 357596465 /nfs/dbraw/zinc/59/64/65/357596465.db2.gz CZXZYFGLOBCGBE-LBPRGKRZSA-N 2 2 253.350 -0.264 20 0 CBADLP C[NH+](C)C[C@@]1(O)CCC[N@H+](CCc2cn[nH]n2)C1 ZINC000639761699 357596466 /nfs/dbraw/zinc/59/64/66/357596466.db2.gz CZXZYFGLOBCGBE-LBPRGKRZSA-N 2 2 253.350 -0.264 20 0 CBADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CCc2cn[nH]n2)C1 ZINC000639761699 357596468 /nfs/dbraw/zinc/59/64/68/357596468.db2.gz CZXZYFGLOBCGBE-LBPRGKRZSA-N 2 2 253.350 -0.264 20 0 CBADLP CCN1CC[C@@H]([N@@H+]2CCC[C@](O)(C[NH+](C)C)C2)C1=O ZINC000639761621 357596543 /nfs/dbraw/zinc/59/65/43/357596543.db2.gz GULWFKAWARFUOT-OCCSQVGLSA-N 2 2 269.389 -0.004 20 0 CBADLP CCN1CC[C@@H]([N@H+]2CCC[C@](O)(C[NH+](C)C)C2)C1=O ZINC000639761621 357596544 /nfs/dbraw/zinc/59/65/44/357596544.db2.gz GULWFKAWARFUOT-OCCSQVGLSA-N 2 2 269.389 -0.004 20 0 CBADLP C[NH+](C)C[C@@]1(O)CCC[N@H+](C[C@H]2COCCO2)C1 ZINC000639767842 357597267 /nfs/dbraw/zinc/59/72/67/357597267.db2.gz UAOKMXMYNARXNM-STQMWFEESA-N 2 2 258.362 -0.210 20 0 CBADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](C[C@H]2COCCO2)C1 ZINC000639767842 357597271 /nfs/dbraw/zinc/59/72/71/357597271.db2.gz UAOKMXMYNARXNM-STQMWFEESA-N 2 2 258.362 -0.210 20 0 CBADLP CN(C(=O)C[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1)C1CC1 ZINC000639767240 357597477 /nfs/dbraw/zinc/59/74/77/357597477.db2.gz QHMPGSGZQJTVHN-CQSZACIVSA-N 2 2 269.389 -0.004 20 0 CBADLP CN(C(=O)C[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1)C1CC1 ZINC000639767240 357597479 /nfs/dbraw/zinc/59/74/79/357597479.db2.gz QHMPGSGZQJTVHN-CQSZACIVSA-N 2 2 269.389 -0.004 20 0 CBADLP CN1CCC[C@@H]([N@@H+]2CCC[C@](O)(C[NH+](C)C)C2)C1=O ZINC000639769620 357597548 /nfs/dbraw/zinc/59/75/48/357597548.db2.gz ZLHKIEDZQNYRSG-OCCSQVGLSA-N 2 2 269.389 -0.004 20 0 CBADLP CN1CCC[C@@H]([N@H+]2CCC[C@](O)(C[NH+](C)C)C2)C1=O ZINC000639769620 357597551 /nfs/dbraw/zinc/59/75/51/357597551.db2.gz ZLHKIEDZQNYRSG-OCCSQVGLSA-N 2 2 269.389 -0.004 20 0 CBADLP O[C@@H](Cn1cc(C[NH+]2CCCC2)nn1)C[NH+]1CCOCC1 ZINC000641206893 357678919 /nfs/dbraw/zinc/67/89/19/357678919.db2.gz DESQPAZJKXDTQG-CQSZACIVSA-N 2 2 295.387 -0.433 20 0 CBADLP OC[C@@H]1CCC[N@@H+]1Cc1cn(CC[NH+]2CCOCC2)nn1 ZINC000641032472 357672312 /nfs/dbraw/zinc/67/23/12/357672312.db2.gz AWCHABNXFHUWFK-AWEZNQCLSA-N 2 2 295.387 -0.433 20 0 CBADLP OC[C@@H]1CCC[N@H+]1Cc1cn(CC[NH+]2CCOCC2)nn1 ZINC000641032472 357672316 /nfs/dbraw/zinc/67/23/16/357672316.db2.gz AWCHABNXFHUWFK-AWEZNQCLSA-N 2 2 295.387 -0.433 20 0 CBADLP CN1CCC[C@@H]([N@H+](C)CC(=O)N2CC[NH+](C)CC2)C1=O ZINC000640051283 357632475 /nfs/dbraw/zinc/63/24/75/357632475.db2.gz MPASQGIABYPDRP-GFCCVEGCSA-N 2 2 282.388 -0.687 20 0 CBADLP CN1CCC[C@@H]([N@@H+](C)CC(=O)N2CC[NH+](C)CC2)C1=O ZINC000640051283 357632479 /nfs/dbraw/zinc/63/24/79/357632479.db2.gz MPASQGIABYPDRP-GFCCVEGCSA-N 2 2 282.388 -0.687 20 0 CBADLP C[N@H+](CCc1cn[nH]c1)CC(=O)N1CC[NH+](C)CC1 ZINC000640051110 357633299 /nfs/dbraw/zinc/63/32/99/357633299.db2.gz HNXUDSABQFGGQC-UHFFFAOYSA-N 2 2 265.361 -0.342 20 0 CBADLP C[N@@H+](CCc1cn[nH]c1)CC(=O)N1CC[NH+](C)CC1 ZINC000640051110 357633300 /nfs/dbraw/zinc/63/33/00/357633300.db2.gz HNXUDSABQFGGQC-UHFFFAOYSA-N 2 2 265.361 -0.342 20 0 CBADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)Cc1cc[nH]c(=O)c1 ZINC000640061912 357634145 /nfs/dbraw/zinc/63/41/45/357634145.db2.gz NKQONRYTIOAFBM-UHFFFAOYSA-N 2 2 278.356 -0.007 20 0 CBADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)Cc1cc[nH]c(=O)c1 ZINC000640061912 357634149 /nfs/dbraw/zinc/63/41/49/357634149.db2.gz NKQONRYTIOAFBM-UHFFFAOYSA-N 2 2 278.356 -0.007 20 0 CBADLP C[N@H+](CCn1ccccc1=O)CC(=O)N1CC[NH+](C)CC1 ZINC000640059623 357634257 /nfs/dbraw/zinc/63/42/57/357634257.db2.gz UAOGAUPZUJGHAH-UHFFFAOYSA-N 2 2 292.383 -0.446 20 0 CBADLP C[N@@H+](CCn1ccccc1=O)CC(=O)N1CC[NH+](C)CC1 ZINC000640059623 357634260 /nfs/dbraw/zinc/63/42/60/357634260.db2.gz UAOGAUPZUJGHAH-UHFFFAOYSA-N 2 2 292.383 -0.446 20 0 CBADLP CC(C)[N@H+](C)C[C@H](O)Cn1cc(C[NH+](C)CCO)nn1 ZINC000641224852 357682728 /nfs/dbraw/zinc/68/27/28/357682728.db2.gz XRHNACUUWJZWJZ-ZDUSSCGKSA-N 2 2 285.392 -0.597 20 0 CBADLP CC(C)[N@@H+](C)C[C@H](O)Cn1cc(C[NH+](C)CCO)nn1 ZINC000641224852 357682732 /nfs/dbraw/zinc/68/27/32/357682732.db2.gz XRHNACUUWJZWJZ-ZDUSSCGKSA-N 2 2 285.392 -0.597 20 0 CBADLP CC(C)[NH+](C)C[C@H](O)Cn1cc(C[N@H+](C)CCO)nn1 ZINC000641224852 357682737 /nfs/dbraw/zinc/68/27/37/357682737.db2.gz XRHNACUUWJZWJZ-ZDUSSCGKSA-N 2 2 285.392 -0.597 20 0 CBADLP CC(C)[NH+](C)C[C@H](O)Cn1cc(C[N@@H+](C)CCO)nn1 ZINC000641224852 357682742 /nfs/dbraw/zinc/68/27/42/357682742.db2.gz XRHNACUUWJZWJZ-ZDUSSCGKSA-N 2 2 285.392 -0.597 20 0 CBADLP C[N@H+](CCO)Cc1cn(CC2CC[NH2+]CC2)nn1 ZINC000641232627 357683243 /nfs/dbraw/zinc/68/32/43/357683243.db2.gz GTTIEELWTNKNKN-UHFFFAOYSA-N 2 2 253.350 -0.298 20 0 CBADLP C[N@@H+](CCO)Cc1cn(CC2CC[NH2+]CC2)nn1 ZINC000641232627 357683246 /nfs/dbraw/zinc/68/32/46/357683246.db2.gz GTTIEELWTNKNKN-UHFFFAOYSA-N 2 2 253.350 -0.298 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNc1nccnc1C(N)=O ZINC000641657150 357734423 /nfs/dbraw/zinc/73/44/23/357734423.db2.gz PSJBEJKRTKHHLL-UHFFFAOYSA-N 2 2 280.376 -0.129 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNc1nccnc1C(N)=O ZINC000641657150 357734425 /nfs/dbraw/zinc/73/44/25/357734425.db2.gz PSJBEJKRTKHHLL-UHFFFAOYSA-N 2 2 280.376 -0.129 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+]Cc2ccncc2N)CC1 ZINC000641712364 357740024 /nfs/dbraw/zinc/74/00/24/357740024.db2.gz IQPPQJQXABPLDA-UHFFFAOYSA-N 2 2 263.345 -0.473 20 0 CBADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CC[NH+](C)C(C)(C)C1 ZINC000641790011 357742699 /nfs/dbraw/zinc/74/26/99/357742699.db2.gz GZXLLQCTWKXOJQ-CYBMUJFWSA-N 2 2 297.447 -0.032 20 0 CBADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CC[NH+](C)C(C)(C)C1 ZINC000641790011 357742705 /nfs/dbraw/zinc/74/27/05/357742705.db2.gz GZXLLQCTWKXOJQ-CYBMUJFWSA-N 2 2 297.447 -0.032 20 0 CBADLP CN1CC[NH+](C)C[C@H]1CNC(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000641790011 357742711 /nfs/dbraw/zinc/74/27/11/357742711.db2.gz GZXLLQCTWKXOJQ-CYBMUJFWSA-N 2 2 297.447 -0.032 20 0 CBADLP CN1CC[NH+](C)C[C@H]1CNC(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000641790011 357742715 /nfs/dbraw/zinc/74/27/15/357742715.db2.gz GZXLLQCTWKXOJQ-CYBMUJFWSA-N 2 2 297.447 -0.032 20 0 CBADLP CN1CCN(c2cc(N3CCC[C@H]3C[NH3+])nc[nH+]2)CC1=O ZINC000643013348 357775936 /nfs/dbraw/zinc/77/59/36/357775936.db2.gz JQOKEXSNNWLEQG-NSHDSACASA-N 2 2 290.371 -0.318 20 0 CBADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](CCN2C(=O)CNC2=O)[C@H]1C ZINC000641804058 357744058 /nfs/dbraw/zinc/74/40/58/357744058.db2.gz AGBVMNASGVRPTB-OUAUKWLOSA-N 2 2 268.361 -0.014 20 0 CBADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](CCN2C(=O)CNC2=O)[C@H]1C ZINC000641804058 357744063 /nfs/dbraw/zinc/74/40/63/357744063.db2.gz AGBVMNASGVRPTB-OUAUKWLOSA-N 2 2 268.361 -0.014 20 0 CBADLP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000641825855 357746622 /nfs/dbraw/zinc/74/66/22/357746622.db2.gz XPJNLPOQOHVWTH-NWDGAFQWSA-N 2 2 296.415 -0.252 20 0 CBADLP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000641825855 357746623 /nfs/dbraw/zinc/74/66/23/357746623.db2.gz XPJNLPOQOHVWTH-NWDGAFQWSA-N 2 2 296.415 -0.252 20 0 CBADLP C[NH2+]CCNC(=O)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000642327517 357753133 /nfs/dbraw/zinc/75/31/33/357753133.db2.gz JFGBHUXVQPELGS-UHFFFAOYSA-N 2 2 290.367 -0.546 20 0 CBADLP O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000642904236 357766302 /nfs/dbraw/zinc/76/63/02/357766302.db2.gz SQYHGFSIABOONX-LBPRGKRZSA-N 2 2 294.399 -0.449 20 0 CBADLP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000642950014 357772110 /nfs/dbraw/zinc/77/21/10/357772110.db2.gz PDRWKIMZZKJSSB-WCQYABFASA-N 2 2 294.399 -0.463 20 0 CBADLP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000642950012 357772411 /nfs/dbraw/zinc/77/24/11/357772411.db2.gz PDRWKIMZZKJSSB-AAEUAGOBSA-N 2 2 294.399 -0.463 20 0 CBADLP CC[C@H]1CN(C(=O)C(=O)N2CC[NH+](CC)CC2)CC[C@@H]1[NH3+] ZINC000643472977 357785308 /nfs/dbraw/zinc/78/53/08/357785308.db2.gz ZCLVFQXWUHSRAC-STQMWFEESA-N 2 2 296.415 -0.264 20 0 CBADLP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC000643483867 357786095 /nfs/dbraw/zinc/78/60/95/357786095.db2.gz MHRPZKRWQYQLLU-NSHDSACASA-N 2 2 280.372 -0.887 20 0 CBADLP Cc1cn2c([nH+]1)CN(C(=O)C(=O)N1CC[NH2+][C@@H](C)C1)CC2 ZINC000643541027 357787948 /nfs/dbraw/zinc/78/79/48/357787948.db2.gz XHSKZUYSKPPFTB-JTQLQIEISA-N 2 2 291.355 -0.646 20 0 CBADLP C[C@@H](O)CNc1cc(NC[C@@H]2C[N@H+](C)CCN2C)nc[nH+]1 ZINC000294458700 199048063 /nfs/dbraw/zinc/04/80/63/199048063.db2.gz QJZFUYZOIFFSME-VXGBXAGGSA-N 2 2 294.403 -0.073 20 0 CBADLP C[C@@H](O)CNc1cc(NC[C@@H]2C[N@@H+](C)CCN2C)nc[nH+]1 ZINC000294458700 199048065 /nfs/dbraw/zinc/04/80/65/199048065.db2.gz QJZFUYZOIFFSME-VXGBXAGGSA-N 2 2 294.403 -0.073 20 0 CBADLP C[C@@H](O)CNc1cc(NC[C@@](C)(O)C[NH+](C)C)nc[nH+]1 ZINC000294502412 199064512 /nfs/dbraw/zinc/06/45/12/199064512.db2.gz SUHXSUKXLPKDCW-ZWNOBZJWSA-N 2 2 283.376 -0.006 20 0 CBADLP C[C@@H](O)CNc1cc(NC[C@@](C)(O)C[NH+](C)C)[nH+]cn1 ZINC000294502412 199064514 /nfs/dbraw/zinc/06/45/14/199064514.db2.gz SUHXSUKXLPKDCW-ZWNOBZJWSA-N 2 2 283.376 -0.006 20 0 CBADLP C[C@H](O)CNc1cc(NC[C@](C)(O)C[NH+](C)C)nc[nH+]1 ZINC000294502403 199064622 /nfs/dbraw/zinc/06/46/22/199064622.db2.gz SUHXSUKXLPKDCW-GWCFXTLKSA-N 2 2 283.376 -0.006 20 0 CBADLP C[C@H](O)CNc1cc(NC[C@](C)(O)C[NH+](C)C)[nH+]cn1 ZINC000294502403 199064623 /nfs/dbraw/zinc/06/46/23/199064623.db2.gz SUHXSUKXLPKDCW-GWCFXTLKSA-N 2 2 283.376 -0.006 20 0 CBADLP CNC(=O)C[N@H+](C)[C@H]1CCC[NH+](CC(=O)NC)CC1 ZINC000428294532 283313432 /nfs/dbraw/zinc/31/34/32/283313432.db2.gz MMMNYQJGUMAKNT-NSHDSACASA-N 2 2 270.377 -0.735 20 0 CBADLP CNC(=O)C[N@@H+](C)[C@H]1CCC[NH+](CC(=O)NC)CC1 ZINC000428294532 283313433 /nfs/dbraw/zinc/31/34/33/283313433.db2.gz MMMNYQJGUMAKNT-NSHDSACASA-N 2 2 270.377 -0.735 20 0 CBADLP CNC(=O)C[NH+](C)[C@H]1CCC[N@H+](CC(=O)NC)CC1 ZINC000428294532 283313434 /nfs/dbraw/zinc/31/34/34/283313434.db2.gz MMMNYQJGUMAKNT-NSHDSACASA-N 2 2 270.377 -0.735 20 0 CBADLP CNC(=O)C[NH+](C)[C@H]1CCC[N@@H+](CC(=O)NC)CC1 ZINC000428294532 283313435 /nfs/dbraw/zinc/31/34/35/283313435.db2.gz MMMNYQJGUMAKNT-NSHDSACASA-N 2 2 270.377 -0.735 20 0 CBADLP CNC(=O)NC(=O)C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000363414190 283356989 /nfs/dbraw/zinc/35/69/89/283356989.db2.gz LDCCMFDMHCLSRB-GRYCIOLGSA-N 2 2 280.372 -0.142 20 0 CBADLP CNC(=O)NC(=O)C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000363414190 283356993 /nfs/dbraw/zinc/35/69/93/283356993.db2.gz LDCCMFDMHCLSRB-GRYCIOLGSA-N 2 2 280.372 -0.142 20 0 CBADLP CNC(=O)NC(=O)C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363414190 283356996 /nfs/dbraw/zinc/35/69/96/283356996.db2.gz LDCCMFDMHCLSRB-GRYCIOLGSA-N 2 2 280.372 -0.142 20 0 CBADLP CNC(=O)NC(=O)C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363414190 283357001 /nfs/dbraw/zinc/35/70/01/283357001.db2.gz LDCCMFDMHCLSRB-GRYCIOLGSA-N 2 2 280.372 -0.142 20 0 CBADLP CC[N@@H+]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC000341781233 216100960 /nfs/dbraw/zinc/10/09/60/216100960.db2.gz VBIRHKBVPVABBR-VXGBXAGGSA-N 2 2 255.362 -0.130 20 0 CBADLP CC[N@H+]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC000341781233 216100965 /nfs/dbraw/zinc/10/09/65/216100965.db2.gz VBIRHKBVPVABBR-VXGBXAGGSA-N 2 2 255.362 -0.130 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)[C@H](C)C1 ZINC000341781233 216100970 /nfs/dbraw/zinc/10/09/70/216100970.db2.gz VBIRHKBVPVABBR-VXGBXAGGSA-N 2 2 255.362 -0.130 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)[C@H](C)C1 ZINC000341781233 216100972 /nfs/dbraw/zinc/10/09/72/216100972.db2.gz VBIRHKBVPVABBR-VXGBXAGGSA-N 2 2 255.362 -0.130 20 0 CBADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCO[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000424181864 291209807 /nfs/dbraw/zinc/20/98/07/291209807.db2.gz DUTUBSHBLAKVSB-LPWJVIDDSA-N 2 2 283.372 -0.705 20 0 CBADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCO[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000424181864 291209808 /nfs/dbraw/zinc/20/98/08/291209808.db2.gz DUTUBSHBLAKVSB-LPWJVIDDSA-N 2 2 283.372 -0.705 20 0 CBADLP C[C@@H]([NH3+])C[NH+]1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000442661222 296020164 /nfs/dbraw/zinc/02/01/64/296020164.db2.gz FLTNHXXDRPVOKY-PRHODGIISA-N 2 2 254.334 -0.356 20 0 CBADLP COC(=O)CC[N@@H+]1CCN(CC[NH+]2CCOCC2)[C@@H](C)C1 ZINC000342156816 216242730 /nfs/dbraw/zinc/24/27/30/216242730.db2.gz QCJGXICHEUVKKN-AWEZNQCLSA-N 2 2 299.415 -0.112 20 0 CBADLP COC(=O)CC[N@H+]1CCN(CC[NH+]2CCOCC2)[C@@H](C)C1 ZINC000342156816 216242733 /nfs/dbraw/zinc/24/27/33/216242733.db2.gz QCJGXICHEUVKKN-AWEZNQCLSA-N 2 2 299.415 -0.112 20 0 CBADLP O=C([C@@H]1CC[NH2+]C1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000062976713 296037459 /nfs/dbraw/zinc/03/74/59/296037459.db2.gz BONGVBYNAQAAPB-VXGBXAGGSA-N 2 2 253.346 -0.471 20 0 CBADLP C[C@@H](C(=O)N1CCO[C@H](C[NH+](C)C)C1)[NH+]1CCOCC1 ZINC000342376408 216329298 /nfs/dbraw/zinc/32/92/98/216329298.db2.gz IWSWBAPLRXUFFD-QWHCGFSZSA-N 2 2 285.388 -0.504 20 0 CBADLP [NH3+]CCOc1ccc(NC(=O)[C@@H]2COCC[NH2+]2)cc1 ZINC000183250978 189352183 /nfs/dbraw/zinc/35/21/83/189352183.db2.gz YQAXCCJNIWNJCX-LBPRGKRZSA-N 2 2 265.313 -0.049 20 0 CBADLP C[C@@H]1C[N@H+](CCCn2cc[nH+]c2)C[C@@H](C(N)=O)O1 ZINC000183186905 189349844 /nfs/dbraw/zinc/34/98/44/189349844.db2.gz QEXCBIHAMJOBGC-MNOVXSKESA-N 2 2 252.318 -0.152 20 0 CBADLP C[C@@H]1C[N@@H+](CCCn2cc[nH+]c2)C[C@@H](C(N)=O)O1 ZINC000183186905 189349845 /nfs/dbraw/zinc/34/98/45/189349845.db2.gz QEXCBIHAMJOBGC-MNOVXSKESA-N 2 2 252.318 -0.152 20 0 CBADLP CC[N@@H+]1CCOC[C@H]1C(=O)N[C@H](C)CC[NH+]1CCOCC1 ZINC000342474788 216363996 /nfs/dbraw/zinc/36/39/96/216363996.db2.gz MWLNZVHFKAKEOS-KGLIPLIRSA-N 2 2 299.415 -0.066 20 0 CBADLP CC[N@H+]1CCOC[C@H]1C(=O)N[C@H](C)CC[NH+]1CCOCC1 ZINC000342474788 216363997 /nfs/dbraw/zinc/36/39/97/216363997.db2.gz MWLNZVHFKAKEOS-KGLIPLIRSA-N 2 2 299.415 -0.066 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]2CCO)CC1 ZINC000301904587 201255024 /nfs/dbraw/zinc/25/50/24/201255024.db2.gz BBKVADSOKIZWFA-LBPRGKRZSA-N 2 2 255.362 -0.393 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]2CCO)CC1 ZINC000301904587 201255026 /nfs/dbraw/zinc/25/50/26/201255026.db2.gz BBKVADSOKIZWFA-LBPRGKRZSA-N 2 2 255.362 -0.393 20 0 CBADLP C[C@H]([C@H](C)NC(=O)[C@H]1C[NH2+]CCO1)[NH+]1CCOCC1 ZINC000188181395 189493100 /nfs/dbraw/zinc/49/31/00/189493100.db2.gz VPBXLDHBHRSOKQ-QJPTWQEYSA-N 2 2 271.361 -0.800 20 0 CBADLP C[C@](O)(CNc1cc[nH+]cc1C(N)=O)C[NH+]1CCOCC1 ZINC000302007466 291345649 /nfs/dbraw/zinc/34/56/49/291345649.db2.gz AUKINQXAXKATBX-AWEZNQCLSA-N 2 2 294.355 -0.324 20 0 CBADLP C[C@]1(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC[NH2+]C1 ZINC000514949306 291380413 /nfs/dbraw/zinc/38/04/13/291380413.db2.gz DKQTYRGGPKOFKQ-GVXVVHGQSA-N 3 2 252.362 -0.770 20 0 CBADLP C[C@]1(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC[NH2+]C1 ZINC000514949306 291380415 /nfs/dbraw/zinc/38/04/15/291380415.db2.gz DKQTYRGGPKOFKQ-GVXVVHGQSA-N 3 2 252.362 -0.770 20 0 CBADLP CN(C)[C@H](C(=O)NCC[NH+](C)C)c1c[nH+]cn1C ZINC000330582905 203002354 /nfs/dbraw/zinc/00/23/54/203002354.db2.gz KFDBWFLGLFMLEM-NSHDSACASA-N 2 2 253.350 -0.299 20 0 CBADLP CC[C@@H]([NH3+])C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@@H]1C ZINC000574328763 335010836 /nfs/dbraw/zinc/01/08/36/335010836.db2.gz XNFGLZMWOOELID-WDEREUQCSA-N 2 2 271.361 -0.181 20 0 CBADLP CCN(CC)C(=O)[C@H](C)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000574292604 335008163 /nfs/dbraw/zinc/00/81/63/335008163.db2.gz OZDCKNFPXXOURW-QJPTWQEYSA-N 2 2 282.388 -0.513 20 0 CBADLP CCN(CC)C(=O)[C@H](C)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000574292604 335008165 /nfs/dbraw/zinc/00/81/65/335008165.db2.gz OZDCKNFPXXOURW-QJPTWQEYSA-N 2 2 282.388 -0.513 20 0 CBADLP CNC(=O)C[N@H+](C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000330790577 203238787 /nfs/dbraw/zinc/23/87/87/203238787.db2.gz SWHLQPKOGXUVRN-UHFFFAOYSA-N 2 2 284.404 -0.347 20 0 CBADLP CNC(=O)C[N@@H+](C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000330790577 203238790 /nfs/dbraw/zinc/23/87/90/203238790.db2.gz SWHLQPKOGXUVRN-UHFFFAOYSA-N 2 2 284.404 -0.347 20 0 CBADLP C[C@@]1(F)C[NH2+]CCN(C(=O)NCC[NH+]2CCOCC2)C1 ZINC000331983844 204361933 /nfs/dbraw/zinc/36/19/33/204361933.db2.gz LPIPGQDYHXCFFK-CYBMUJFWSA-N 2 2 288.367 -0.338 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)C[C@H]2COCC[NH2+]2)CCO1 ZINC000574403054 335016742 /nfs/dbraw/zinc/01/67/42/335016742.db2.gz VSZLNDPMFRNLJY-RYUDHWBXSA-N 2 2 271.361 -0.798 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)C[C@H]2COCC[NH2+]2)CCO1 ZINC000574403054 335016743 /nfs/dbraw/zinc/01/67/43/335016743.db2.gz VSZLNDPMFRNLJY-RYUDHWBXSA-N 2 2 271.361 -0.798 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000574410235 335017354 /nfs/dbraw/zinc/01/73/54/335017354.db2.gz CXGBZHFICZZDGD-RVMXOQNASA-N 2 2 269.389 -0.115 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000574410235 335017355 /nfs/dbraw/zinc/01/73/55/335017355.db2.gz CXGBZHFICZZDGD-RVMXOQNASA-N 2 2 269.389 -0.115 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000574410235 335017356 /nfs/dbraw/zinc/01/73/56/335017356.db2.gz CXGBZHFICZZDGD-RVMXOQNASA-N 2 2 269.389 -0.115 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000574410235 335017357 /nfs/dbraw/zinc/01/73/57/335017357.db2.gz CXGBZHFICZZDGD-RVMXOQNASA-N 2 2 269.389 -0.115 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000574410237 335017390 /nfs/dbraw/zinc/01/73/90/335017390.db2.gz CXGBZHFICZZDGD-ZDEQEGDKSA-N 2 2 269.389 -0.115 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000574410237 335017392 /nfs/dbraw/zinc/01/73/92/335017392.db2.gz CXGBZHFICZZDGD-ZDEQEGDKSA-N 2 2 269.389 -0.115 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000574410237 335017394 /nfs/dbraw/zinc/01/73/94/335017394.db2.gz CXGBZHFICZZDGD-ZDEQEGDKSA-N 2 2 269.389 -0.115 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000574410237 335017395 /nfs/dbraw/zinc/01/73/95/335017395.db2.gz CXGBZHFICZZDGD-ZDEQEGDKSA-N 2 2 269.389 -0.115 20 0 CBADLP C[C@H]1[C@H]([NH2+]Cc2cn(C)c(=O)n(C)c2=O)CCC[N@@H+]1C ZINC000344324038 217149513 /nfs/dbraw/zinc/14/95/13/217149513.db2.gz FRZAUYJTBZUSMQ-CMPLNLGQSA-N 2 2 280.372 -0.344 20 0 CBADLP C[C@H]1[C@H]([NH2+]Cc2cn(C)c(=O)n(C)c2=O)CCC[N@H+]1C ZINC000344324038 217149515 /nfs/dbraw/zinc/14/95/15/217149515.db2.gz FRZAUYJTBZUSMQ-CMPLNLGQSA-N 2 2 280.372 -0.344 20 0 CBADLP C[C@H](CNC(=O)[C@H]1[NH2+]CCO[C@H]1C)C[NH+]1CCOCC1 ZINC000344431128 217189949 /nfs/dbraw/zinc/18/99/49/217189949.db2.gz CLKQEJCDGFPCOE-AGIUHOORSA-N 2 2 285.388 -0.552 20 0 CBADLP C[C@H](CC[NH+]1CCOCC1)NC(=O)[C@@H]1[NH2+]CCO[C@@H]1C ZINC000344444712 217192839 /nfs/dbraw/zinc/19/28/39/217192839.db2.gz MWUYVCWYFIJAOM-JHJVBQTASA-N 2 2 285.388 -0.410 20 0 CBADLP C[C@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)CC[NH3+])CC1 ZINC000237775182 189889616 /nfs/dbraw/zinc/88/96/16/189889616.db2.gz YFTUNPJYBYQXKR-ZDUSSCGKSA-N 2 2 296.415 -0.120 20 0 CBADLP C[C@H]1OCC[NH2+][C@H]1C(=O)NCCCC[NH+]1CCOCC1 ZINC000344472442 217201875 /nfs/dbraw/zinc/20/18/75/217201875.db2.gz KBNJCKRMADBFFC-CHWSQXEVSA-N 2 2 285.388 -0.408 20 0 CBADLP CC1(C)COCC[N@@H+]1CCNC(=O)N[C@H]1CC[NH2+]C1 ZINC000333146379 205070431 /nfs/dbraw/zinc/07/04/31/205070431.db2.gz DSFIXNCJXVXRBT-NSHDSACASA-N 2 2 270.377 -0.242 20 0 CBADLP CC1(C)COCC[N@H+]1CCNC(=O)N[C@H]1CC[NH2+]C1 ZINC000333146379 205070436 /nfs/dbraw/zinc/07/04/36/205070436.db2.gz DSFIXNCJXVXRBT-NSHDSACASA-N 2 2 270.377 -0.242 20 0 CBADLP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC000040636630 372759676 /nfs/dbraw/zinc/75/96/76/372759676.db2.gz YTTFDGXDRKJPEM-NWDGAFQWSA-N 2 2 253.346 -0.330 20 0 CBADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000353423876 220075334 /nfs/dbraw/zinc/07/53/34/220075334.db2.gz DXUUSIFOHPXRRM-NEPJUHHUSA-N 2 2 296.415 -0.217 20 0 CBADLP CC(C)C[C@H](CNC(=O)[C@H]1COCC[NH2+]1)[NH+]1CCOCC1 ZINC000088371651 372773830 /nfs/dbraw/zinc/77/38/30/372773830.db2.gz IUONSPVHVHTVKB-ZIAGYGMSSA-N 2 2 299.415 -0.162 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCOC[C@H]2C2CC2)CC1 ZINC000093241267 372775783 /nfs/dbraw/zinc/77/57/83/372775783.db2.gz DLVBLOGDAGYDSH-ZDUSSCGKSA-N 2 2 267.373 -0.129 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CCOC[C@H]2C2CC2)CC1 ZINC000093241267 372775789 /nfs/dbraw/zinc/77/57/89/372775789.db2.gz DLVBLOGDAGYDSH-ZDUSSCGKSA-N 2 2 267.373 -0.129 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](C)C[C@H]2C)C1 ZINC000353430506 220076865 /nfs/dbraw/zinc/07/68/65/220076865.db2.gz XHADRBJNDHLMLF-VXGBXAGGSA-N 2 2 255.362 -0.130 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](C)C[C@H]2C)C1 ZINC000353430506 220076867 /nfs/dbraw/zinc/07/68/67/220076867.db2.gz XHADRBJNDHLMLF-VXGBXAGGSA-N 2 2 255.362 -0.130 20 0 CBADLP CC[NH+]1CCO[C@@H](C(=O)N2CC[N@H+](C)C[C@H]2C)C1 ZINC000353430506 220076869 /nfs/dbraw/zinc/07/68/69/220076869.db2.gz XHADRBJNDHLMLF-VXGBXAGGSA-N 2 2 255.362 -0.130 20 0 CBADLP CC[NH+]1CCO[C@@H](C(=O)N2CC[N@@H+](C)C[C@H]2C)C1 ZINC000353430506 220076872 /nfs/dbraw/zinc/07/68/72/220076872.db2.gz XHADRBJNDHLMLF-VXGBXAGGSA-N 2 2 255.362 -0.130 20 0 CBADLP CO[C@H](C[NH3+])C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000353432343 220078117 /nfs/dbraw/zinc/07/81/17/220078117.db2.gz SDAFUYJCRJLIJM-SNVBAGLBSA-N 2 2 259.350 -0.813 20 0 CBADLP CO[C@H](C[NH3+])C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000353432343 220078120 /nfs/dbraw/zinc/07/81/20/220078120.db2.gz SDAFUYJCRJLIJM-SNVBAGLBSA-N 2 2 259.350 -0.813 20 0 CBADLP CCN1CC[NH+](C[C@H](C)CNC(=O)C[NH+](C)C)CC1 ZINC000163100756 372823491 /nfs/dbraw/zinc/82/34/91/372823491.db2.gz WAMLAAMEQOPRDR-CYBMUJFWSA-N 2 2 270.421 -0.062 20 0 CBADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)C[NH+](C)C)CC1 ZINC000163100756 372823504 /nfs/dbraw/zinc/82/35/04/372823504.db2.gz WAMLAAMEQOPRDR-CYBMUJFWSA-N 2 2 270.421 -0.062 20 0 CBADLP CO[C@H](C[NH3+])C(=O)NCc1ccc[nH+]c1N(C)C ZINC000353435724 220080861 /nfs/dbraw/zinc/08/08/61/220080861.db2.gz XFAFAYRWVWQYOF-SNVBAGLBSA-N 2 2 252.318 -0.263 20 0 CBADLP CC(=O)NCCC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000162529997 372819036 /nfs/dbraw/zinc/81/90/36/372819036.db2.gz VJUPYZCKEHWMPE-CQSZACIVSA-N 2 2 296.415 -0.249 20 0 CBADLP CC(=O)NCCC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000162529997 372819046 /nfs/dbraw/zinc/81/90/46/372819046.db2.gz VJUPYZCKEHWMPE-CQSZACIVSA-N 2 2 296.415 -0.249 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000176491647 372835850 /nfs/dbraw/zinc/83/58/50/372835850.db2.gz LFHADTJRVOXHAJ-CQSZACIVSA-N 2 2 287.404 -0.474 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000176491647 372835857 /nfs/dbraw/zinc/83/58/57/372835857.db2.gz LFHADTJRVOXHAJ-CQSZACIVSA-N 2 2 287.404 -0.474 20 0 CBADLP O=C([C@H]1C[NH2+]CCO1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000188111365 372849742 /nfs/dbraw/zinc/84/97/42/372849742.db2.gz LGLNUQRGTSWGFK-QWHCGFSZSA-N 2 2 283.372 -0.702 20 0 CBADLP O=C([C@H]1C[NH2+]CCO1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000188165597 372850173 /nfs/dbraw/zinc/85/01/73/372850173.db2.gz VKVFSDFYVLYLQN-UONOGXRCSA-N 2 2 297.399 -0.312 20 0 CBADLP O=C(c1n[nH]c2c1C[NH2+]CC2)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000188763934 372853204 /nfs/dbraw/zinc/85/32/04/372853204.db2.gz JXLWRTBSTHCFGE-SNVBAGLBSA-N 2 2 275.356 -0.024 20 0 CBADLP O=C(c1n[nH]c2c1C[NH2+]CC2)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000188763934 372853207 /nfs/dbraw/zinc/85/32/07/372853207.db2.gz JXLWRTBSTHCFGE-SNVBAGLBSA-N 2 2 275.356 -0.024 20 0 CBADLP CO[C@@H](C[NH3+])C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000353464765 220097441 /nfs/dbraw/zinc/09/74/41/220097441.db2.gz YTSSCYSRSIJXKH-LBPRGKRZSA-N 3 2 272.393 -0.898 20 0 CBADLP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261587413 372906612 /nfs/dbraw/zinc/90/66/12/372906612.db2.gz VAXDSYSBVWCAFX-GUBZILKMSA-N 2 2 254.334 -0.628 20 0 CBADLP CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261587413 372906619 /nfs/dbraw/zinc/90/66/19/372906619.db2.gz VAXDSYSBVWCAFX-GUBZILKMSA-N 2 2 254.334 -0.628 20 0 CBADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)[C@@H](C)C[NH3+])CC1 ZINC000262437242 372909779 /nfs/dbraw/zinc/90/97/79/372909779.db2.gz ULXZHTLUEFYOSI-LBPRGKRZSA-N 2 2 284.404 -0.406 20 0 CBADLP C[C@@H](NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)[C@@H](C)[NH+]1CCOCC1 ZINC000333370987 205262259 /nfs/dbraw/zinc/26/22/59/205262259.db2.gz MKIYLECBTSJDJC-SYQHCUMBSA-N 2 2 296.415 -0.044 20 0 CBADLP CC[N@H+](CCNC(=O)C(=O)NCc1[nH+]ccn1C)C1CC1 ZINC000285907823 372948372 /nfs/dbraw/zinc/94/83/72/372948372.db2.gz HYUAKGARACGSJF-UHFFFAOYSA-N 2 2 293.371 -0.363 20 0 CBADLP CC[N@@H+](CCNC(=O)C(=O)NCc1[nH+]ccn1C)C1CC1 ZINC000285907823 372948377 /nfs/dbraw/zinc/94/83/77/372948377.db2.gz HYUAKGARACGSJF-UHFFFAOYSA-N 2 2 293.371 -0.363 20 0 CBADLP Cn1c[nH+]cc1CNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000292681535 372960037 /nfs/dbraw/zinc/96/00/37/372960037.db2.gz MPVZHBXLKRNPPE-LLVKDONJSA-N 2 2 293.371 -0.554 20 0 CBADLP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NCc1[nH+]ccn1C ZINC000286087702 372954265 /nfs/dbraw/zinc/95/42/65/372954265.db2.gz UOBVYMNRSDKCKB-NSHDSACASA-N 2 2 295.387 -0.117 20 0 CBADLP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NCc1[nH+]ccn1C ZINC000286087702 372954275 /nfs/dbraw/zinc/95/42/75/372954275.db2.gz UOBVYMNRSDKCKB-NSHDSACASA-N 2 2 295.387 -0.117 20 0 CBADLP C[N@@H+]1CCC[C@@]2(CC[NH+](CCNS(C)(=O)=O)C2)C1 ZINC000331702180 373000412 /nfs/dbraw/zinc/00/04/12/373000412.db2.gz WCMHJUSXBWRRKM-GFCCVEGCSA-N 2 2 275.418 -0.047 20 0 CBADLP C[N@H+]1CCC[C@@]2(CC[NH+](CCNS(C)(=O)=O)C2)C1 ZINC000331702180 373000418 /nfs/dbraw/zinc/00/04/18/373000418.db2.gz WCMHJUSXBWRRKM-GFCCVEGCSA-N 2 2 275.418 -0.047 20 0 CBADLP C[NH+]1CCC[C@@]2(CC[N@H+](CCNS(C)(=O)=O)C2)C1 ZINC000331702180 373000423 /nfs/dbraw/zinc/00/04/23/373000423.db2.gz WCMHJUSXBWRRKM-GFCCVEGCSA-N 2 2 275.418 -0.047 20 0 CBADLP C[NH+]1CCC[C@@]2(CC[N@@H+](CCNS(C)(=O)=O)C2)C1 ZINC000331702180 373000429 /nfs/dbraw/zinc/00/04/29/373000429.db2.gz WCMHJUSXBWRRKM-GFCCVEGCSA-N 2 2 275.418 -0.047 20 0 CBADLP C[N@@H+]1CCO[C@@H](CNC(=O)N[C@H]2CCCC[NH2+]C2)C1 ZINC000333613002 373011807 /nfs/dbraw/zinc/01/18/07/373011807.db2.gz QUHMVSQQKUFMFN-RYUDHWBXSA-N 2 2 270.377 -0.242 20 0 CBADLP C[N@H+]1CCO[C@@H](CNC(=O)N[C@H]2CCCC[NH2+]C2)C1 ZINC000333613002 373011813 /nfs/dbraw/zinc/01/18/13/373011813.db2.gz QUHMVSQQKUFMFN-RYUDHWBXSA-N 2 2 270.377 -0.242 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@H]1CCCN1S(C)(=O)=O ZINC000338215432 373028688 /nfs/dbraw/zinc/02/86/88/373028688.db2.gz ONSPKQQUHHRREM-IJLUTSLNSA-N 2 2 275.418 -0.050 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@H]1CCCN1S(C)(=O)=O ZINC000338215432 373028698 /nfs/dbraw/zinc/02/86/98/373028698.db2.gz ONSPKQQUHHRREM-IJLUTSLNSA-N 2 2 275.418 -0.050 20 0 CBADLP C[C@@H](NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@H](C)[NH+]1CCOCC1 ZINC000333462421 205339548 /nfs/dbraw/zinc/33/95/48/205339548.db2.gz ZHWVJWPJZPGXII-FHUSYTEZSA-N 2 2 282.388 -0.387 20 0 CBADLP C[C@@H]1C[C@@H](C)CN(C(=O)C[N@H+](C)C[C@H](O)C[NH3+])C1 ZINC000336795400 373023897 /nfs/dbraw/zinc/02/38/97/373023897.db2.gz KHDYJFBXOXHYRO-IJLUTSLNSA-N 2 2 257.378 -0.258 20 0 CBADLP C[C@@H]1C[C@@H](C)CN(C(=O)C[N@@H+](C)C[C@H](O)C[NH3+])C1 ZINC000336795400 373023907 /nfs/dbraw/zinc/02/39/07/373023907.db2.gz KHDYJFBXOXHYRO-IJLUTSLNSA-N 2 2 257.378 -0.258 20 0 CBADLP [NH3+][C@@H]1CCc2nc(NC(=O)[C@@H]3COCC[NH2+]3)sc2C1 ZINC000343436953 373051887 /nfs/dbraw/zinc/05/18/87/373051887.db2.gz MCYPAKSTTLVCQG-APPZFPTMSA-N 2 2 282.369 -0.114 20 0 CBADLP C[N@H+](CC(=O)NC[C@@H]1C[NH+]2CCN1CC2)[C@@H]1CCSC1 ZINC000344598196 373059064 /nfs/dbraw/zinc/05/90/64/373059064.db2.gz ZPFRLKFFYNMYQU-CHWSQXEVSA-N 2 2 298.456 -0.460 20 0 CBADLP C[N@@H+](CC(=O)NC[C@@H]1C[NH+]2CCN1CC2)[C@@H]1CCSC1 ZINC000344598196 373059068 /nfs/dbraw/zinc/05/90/68/373059068.db2.gz ZPFRLKFFYNMYQU-CHWSQXEVSA-N 2 2 298.456 -0.460 20 0 CBADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)NCC(=O)N2CCCC2)C1 ZINC000351859349 373100208 /nfs/dbraw/zinc/10/02/08/373100208.db2.gz CYZOLZFZJSIPPF-VXGBXAGGSA-N 2 2 282.388 -0.606 20 0 CBADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)NCC(=O)N2CCCC2)C1 ZINC000351859349 373100217 /nfs/dbraw/zinc/10/02/17/373100217.db2.gz CYZOLZFZJSIPPF-VXGBXAGGSA-N 2 2 282.388 -0.606 20 0 CBADLP CC[C@H](C)[C@@H]([NH3+])C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000353173025 373111155 /nfs/dbraw/zinc/11/11/55/373111155.db2.gz MBAKNAWIEYWJDD-WDEREUQCSA-N 2 2 284.404 -0.232 20 0 CBADLP CO[C@H](C[NH3+])C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000353476786 373113482 /nfs/dbraw/zinc/11/34/82/373113482.db2.gz ZGHJQYKAVCBRKQ-GMTAPVOTSA-N 2 2 259.350 -0.815 20 0 CBADLP Cc1cc(N2CC[C@H]([N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)C2=O)n(C)n1 ZINC000359269276 373174646 /nfs/dbraw/zinc/17/46/46/373174646.db2.gz CIEAXAVPWFDDFP-XQQFMLRXSA-N 2 2 289.383 -0.015 20 0 CBADLP Cc1cc(N2CC[C@H]([N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)C2=O)n(C)n1 ZINC000359269276 373174653 /nfs/dbraw/zinc/17/46/53/373174653.db2.gz CIEAXAVPWFDDFP-XQQFMLRXSA-N 2 2 289.383 -0.015 20 0 CBADLP CCS(=O)(=O)NCC[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360571868 373209475 /nfs/dbraw/zinc/20/94/75/373209475.db2.gz WJBXOJRYPFNWHY-LLVKDONJSA-N 2 2 261.391 -0.389 20 0 CBADLP CCS(=O)(=O)NCC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360571868 373209481 /nfs/dbraw/zinc/20/94/81/373209481.db2.gz WJBXOJRYPFNWHY-LLVKDONJSA-N 2 2 261.391 -0.389 20 0 CBADLP COCC[C@@]1(C(=O)NC[C@H](C)[NH+]2CCOCC2)CC[NH2+]C1 ZINC000361723854 373330877 /nfs/dbraw/zinc/33/08/77/373330877.db2.gz ZFIPHDMVSDXEMQ-ZFWWWQNUSA-N 2 2 299.415 -0.161 20 0 CBADLP CCO[C@H]1COCC[C@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000362012871 373357232 /nfs/dbraw/zinc/35/72/32/373357232.db2.gz IAHHMXKKDAFCGI-OLZOCXBDSA-N 2 2 285.388 -0.456 20 0 CBADLP C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000362496490 373419557 /nfs/dbraw/zinc/41/95/57/373419557.db2.gz CIWNLOJQPPFSLZ-NWDGAFQWSA-N 2 2 255.362 -0.130 20 0 CBADLP C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000362496490 373419564 /nfs/dbraw/zinc/41/95/64/373419564.db2.gz CIWNLOJQPPFSLZ-NWDGAFQWSA-N 2 2 255.362 -0.130 20 0 CBADLP CN1C(=O)[C@H]2C[N@H+](CCCn3cc[nH+]c3)CCN2C1=O ZINC000362233919 373381061 /nfs/dbraw/zinc/38/10/61/373381061.db2.gz GRKWPLMJVMITJD-LLVKDONJSA-N 2 2 277.328 -0.149 20 0 CBADLP CN1C(=O)[C@H]2C[N@@H+](CCCn3cc[nH+]c3)CCN2C1=O ZINC000362233919 373381069 /nfs/dbraw/zinc/38/10/69/373381069.db2.gz GRKWPLMJVMITJD-LLVKDONJSA-N 2 2 277.328 -0.149 20 0 CBADLP CC(C)(C)NC(=O)NC(=O)C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000050247495 220194527 /nfs/dbraw/zinc/19/45/27/220194527.db2.gz PYEAZFRZEGJNAS-SECBINFHSA-N 2 2 256.350 -0.109 20 0 CBADLP CC(C)(C)NC(=O)NC(=O)C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050247495 220194531 /nfs/dbraw/zinc/19/45/31/220194531.db2.gz PYEAZFRZEGJNAS-SECBINFHSA-N 2 2 256.350 -0.109 20 0 CBADLP CC(C)CNC(=O)NC(=O)C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000050247947 220195065 /nfs/dbraw/zinc/19/50/65/220195065.db2.gz OBBBUQQOWMAYRS-SNVBAGLBSA-N 2 2 256.350 -0.251 20 0 CBADLP CC(C)CNC(=O)NC(=O)C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050247947 220195067 /nfs/dbraw/zinc/19/50/67/220195067.db2.gz OBBBUQQOWMAYRS-SNVBAGLBSA-N 2 2 256.350 -0.251 20 0 CBADLP O=C(C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)NC1CC1 ZINC000362828236 373451330 /nfs/dbraw/zinc/45/13/30/373451330.db2.gz CMCDCYGHIDCPEB-GFCCVEGCSA-N 2 2 280.372 -0.839 20 0 CBADLP O=C(C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)NC1CC1 ZINC000362828236 373451335 /nfs/dbraw/zinc/45/13/35/373451335.db2.gz CMCDCYGHIDCPEB-GFCCVEGCSA-N 2 2 280.372 -0.839 20 0 CBADLP Cc1noc(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)n1 ZINC000362842630 373451397 /nfs/dbraw/zinc/45/13/97/373451397.db2.gz ZYSNGRVVKSPPBW-LLVKDONJSA-N 2 2 279.344 -0.226 20 0 CBADLP Cc1noc(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)n1 ZINC000362842630 373451405 /nfs/dbraw/zinc/45/14/05/373451405.db2.gz ZYSNGRVVKSPPBW-LLVKDONJSA-N 2 2 279.344 -0.226 20 0 CBADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](CCn2cncn2)C1 ZINC000362839728 373452462 /nfs/dbraw/zinc/45/24/62/373452462.db2.gz QXRZVKPLXIDHEC-GFCCVEGCSA-N 2 2 278.360 -0.826 20 0 CBADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](CCn2cncn2)C1 ZINC000362839728 373452468 /nfs/dbraw/zinc/45/24/68/373452468.db2.gz QXRZVKPLXIDHEC-GFCCVEGCSA-N 2 2 278.360 -0.826 20 0 CBADLP CC(C)NC(=O)C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362827750 373452738 /nfs/dbraw/zinc/45/27/38/373452738.db2.gz VFLCCDMMJCCBHK-LBPRGKRZSA-N 2 2 282.388 -0.593 20 0 CBADLP CC(C)NC(=O)C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362827750 373452749 /nfs/dbraw/zinc/45/27/49/373452749.db2.gz VFLCCDMMJCCBHK-LBPRGKRZSA-N 2 2 282.388 -0.593 20 0 CBADLP C[NH+](C)CC(=O)N1CCC[C@@H]1C(=O)N1CC[NH+](C)CC1 ZINC000362981175 373470193 /nfs/dbraw/zinc/47/01/93/373470193.db2.gz YZRKVJRRJMRAQN-GFCCVEGCSA-N 2 2 282.388 -0.687 20 0 CBADLP Cn1nncc1C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362675414 373436777 /nfs/dbraw/zinc/43/67/77/373436777.db2.gz RXYLZBDDAZKHEO-LLVKDONJSA-N 2 2 278.360 -0.789 20 0 CBADLP Cn1nncc1C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362675414 373436786 /nfs/dbraw/zinc/43/67/86/373436786.db2.gz RXYLZBDDAZKHEO-LLVKDONJSA-N 2 2 278.360 -0.789 20 0 CBADLP CC[N@@H+]1CCO[C@H](CN2CC[NH+](C[C@H](C)O)CC2)C1 ZINC000363496723 373495024 /nfs/dbraw/zinc/49/50/24/373495024.db2.gz RXYRULFNXSMNET-KBPBESRZSA-N 2 2 271.405 -0.295 20 0 CBADLP CC[N@H+]1CCO[C@H](CN2CC[NH+](C[C@H](C)O)CC2)C1 ZINC000363496723 373495030 /nfs/dbraw/zinc/49/50/30/373495030.db2.gz RXYRULFNXSMNET-KBPBESRZSA-N 2 2 271.405 -0.295 20 0 CBADLP COC(=O)CNC(=O)C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000363631148 373500147 /nfs/dbraw/zinc/50/01/47/373500147.db2.gz HBPJGDAZQYYGRV-AGIUHOORSA-N 2 2 295.383 -0.308 20 0 CBADLP COC(=O)CNC(=O)C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000363631148 373500158 /nfs/dbraw/zinc/50/01/58/373500158.db2.gz HBPJGDAZQYYGRV-AGIUHOORSA-N 2 2 295.383 -0.308 20 0 CBADLP COC(=O)CNC(=O)C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000363631148 373500170 /nfs/dbraw/zinc/50/01/70/373500170.db2.gz HBPJGDAZQYYGRV-AGIUHOORSA-N 2 2 295.383 -0.308 20 0 CBADLP COC(=O)CNC(=O)C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000363631148 373500180 /nfs/dbraw/zinc/50/01/80/373500180.db2.gz HBPJGDAZQYYGRV-AGIUHOORSA-N 2 2 295.383 -0.308 20 0 CBADLP CN1CCC[N@H+](CCC(=O)N2CC[NH+](C)CC2)CC1=O ZINC000367210977 373535964 /nfs/dbraw/zinc/53/59/64/373535964.db2.gz BNSAMFRUUMUBQH-UHFFFAOYSA-N 2 2 282.388 -0.685 20 0 CBADLP CN1CCC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)CC1=O ZINC000367210977 373535974 /nfs/dbraw/zinc/53/59/74/373535974.db2.gz BNSAMFRUUMUBQH-UHFFFAOYSA-N 2 2 282.388 -0.685 20 0 CBADLP C[C@@H]([NH3+])C(=O)N1CC[N@H+](C[C@@H]2CN(C)CCO2)C[C@H]1C ZINC000366951275 373531872 /nfs/dbraw/zinc/53/18/72/373531872.db2.gz JVFCKNVKPSYVCB-UPJWGTAASA-N 2 2 284.404 -0.803 20 0 CBADLP C[C@@H]([NH3+])C(=O)N1CC[N@@H+](C[C@@H]2CN(C)CCO2)C[C@H]1C ZINC000366951275 373531876 /nfs/dbraw/zinc/53/18/76/373531876.db2.gz JVFCKNVKPSYVCB-UPJWGTAASA-N 2 2 284.404 -0.803 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C1 ZINC000363301860 373485937 /nfs/dbraw/zinc/48/59/37/373485937.db2.gz DASJGABMQGGURJ-MJBXVCDLSA-N 2 2 297.399 -0.625 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C1 ZINC000363301860 373485940 /nfs/dbraw/zinc/48/59/40/373485940.db2.gz DASJGABMQGGURJ-MJBXVCDLSA-N 2 2 297.399 -0.625 20 0 CBADLP C[N@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367620303 373538153 /nfs/dbraw/zinc/53/81/53/373538153.db2.gz YIRWYGRKTZGJQF-GFCCVEGCSA-N 2 2 297.403 -0.718 20 0 CBADLP C[N@@H+](CC(=O)NC(N)=O)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367620303 373538156 /nfs/dbraw/zinc/53/81/56/373538156.db2.gz YIRWYGRKTZGJQF-GFCCVEGCSA-N 2 2 297.403 -0.718 20 0 CBADLP CN(CC(=O)NC(N)=O)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000367620303 373538163 /nfs/dbraw/zinc/53/81/63/373538163.db2.gz YIRWYGRKTZGJQF-GFCCVEGCSA-N 2 2 297.403 -0.718 20 0 CBADLP CN(CC(=O)NC(N)=O)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000367620303 373538167 /nfs/dbraw/zinc/53/81/67/373538167.db2.gz YIRWYGRKTZGJQF-GFCCVEGCSA-N 2 2 297.403 -0.718 20 0 CBADLP CCOC[C@@H](O)C[NH+]1CCN(Cc2[nH+]ccn2C)CC1 ZINC000353639075 220213816 /nfs/dbraw/zinc/21/38/16/220213816.db2.gz VUHPSIVXDONGFJ-ZDUSSCGKSA-N 2 2 282.388 -0.065 20 0 CBADLP Cn1cc[nH+]c1CN1CCN(C(=O)C2([NH3+])CC2)CC1 ZINC000353639108 220214478 /nfs/dbraw/zinc/21/44/78/220214478.db2.gz MJLRYOIBNFCXIO-UHFFFAOYSA-N 2 2 263.345 -0.444 20 0 CBADLP CC(C)[NH2+]CCN1CCO[C@H](C[N@H+](C)CC(N)=O)C1 ZINC000370022351 373546951 /nfs/dbraw/zinc/54/69/51/373546951.db2.gz TUFDJXYGVNXKNL-GFCCVEGCSA-N 2 2 272.393 -0.898 20 0 CBADLP CC(C)[NH2+]CCN1CCO[C@H](C[N@@H+](C)CC(N)=O)C1 ZINC000370022351 373546960 /nfs/dbraw/zinc/54/69/60/373546960.db2.gz TUFDJXYGVNXKNL-GFCCVEGCSA-N 2 2 272.393 -0.898 20 0 CBADLP CC(C)C[C@@H]([NH3+])CN(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000414713667 373626602 /nfs/dbraw/zinc/62/66/02/373626602.db2.gz VDBGQEBGSRSDFY-ZIAGYGMSSA-N 2 2 273.421 -0.015 20 0 CBADLP CC(C)C[C@@H]([NH3+])C[N@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000414713667 373626609 /nfs/dbraw/zinc/62/66/09/373626609.db2.gz VDBGQEBGSRSDFY-ZIAGYGMSSA-N 2 2 273.421 -0.015 20 0 CBADLP CC(C)C[C@@H]([NH3+])C[N@@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000414713667 373626613 /nfs/dbraw/zinc/62/66/13/373626613.db2.gz VDBGQEBGSRSDFY-ZIAGYGMSSA-N 2 2 273.421 -0.015 20 0 CBADLP COCCC[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000420312207 373649429 /nfs/dbraw/zinc/64/94/29/373649429.db2.gz RVWNMEUJYVHCSI-LBPRGKRZSA-N 2 2 255.362 -0.081 20 0 CBADLP COCCC[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000420312207 373649436 /nfs/dbraw/zinc/64/94/36/373649436.db2.gz RVWNMEUJYVHCSI-LBPRGKRZSA-N 2 2 255.362 -0.081 20 0 CBADLP Cc1c(/C=C/C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cnn1C ZINC000493512986 373717329 /nfs/dbraw/zinc/71/73/29/373717329.db2.gz ADQXBYQYLUBZTI-IHVVCDCBSA-N 2 2 277.372 -0.157 20 0 CBADLP Cc1c(/C=C/C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cnn1C ZINC000493512986 373717334 /nfs/dbraw/zinc/71/73/34/373717334.db2.gz ADQXBYQYLUBZTI-IHVVCDCBSA-N 2 2 277.372 -0.157 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@H]2CCC[NH+]2C)CC[N@@H+]1CCO ZINC000428140671 373671561 /nfs/dbraw/zinc/67/15/61/373671561.db2.gz GAYYOPQWEVAQLI-NEPJUHHUSA-N 2 2 255.362 -0.394 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@H]2CCC[NH+]2C)CC[N@H+]1CCO ZINC000428140671 373671569 /nfs/dbraw/zinc/67/15/69/373671569.db2.gz GAYYOPQWEVAQLI-NEPJUHHUSA-N 2 2 255.362 -0.394 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CC[NH+]1CCO ZINC000428140671 373671574 /nfs/dbraw/zinc/67/15/74/373671574.db2.gz GAYYOPQWEVAQLI-NEPJUHHUSA-N 2 2 255.362 -0.394 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)CC[NH+]1CCO ZINC000428140671 373671582 /nfs/dbraw/zinc/67/15/82/373671582.db2.gz GAYYOPQWEVAQLI-NEPJUHHUSA-N 2 2 255.362 -0.394 20 0 CBADLP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)CN1CC[NH2+]CC1=O ZINC000430892628 373675647 /nfs/dbraw/zinc/67/56/47/373675647.db2.gz AYCOEQGPQXOQKN-BETUJISGSA-N 2 2 296.415 -0.203 20 0 CBADLP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)CN1CC[NH2+]CC1=O ZINC000430892628 373675650 /nfs/dbraw/zinc/67/56/50/373675650.db2.gz AYCOEQGPQXOQKN-BETUJISGSA-N 2 2 296.415 -0.203 20 0 CBADLP CCOC[C@H](O)C[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000353649461 220226171 /nfs/dbraw/zinc/22/61/71/220226171.db2.gz XLCZQPSDVJKEMM-GFCCVEGCSA-N 2 2 268.361 -0.075 20 0 CBADLP C[NH+]1CCN(CCNC(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000493595876 373722527 /nfs/dbraw/zinc/72/25/27/373722527.db2.gz JGPUNJCAPBPVRJ-NSCUHMNNSA-N 2 2 263.345 -0.214 20 0 CBADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000495058657 373744619 /nfs/dbraw/zinc/74/46/19/373744619.db2.gz KFMOORDNIHPDJK-VXGBXAGGSA-N 2 2 268.405 -0.121 20 0 CBADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000495058657 373744624 /nfs/dbraw/zinc/74/46/24/373744624.db2.gz KFMOORDNIHPDJK-VXGBXAGGSA-N 2 2 268.405 -0.121 20 0 CBADLP COC(=O)C[C@H]([NH3+])C(=O)NCCCCn1cc[nH+]c1C ZINC000514599516 373754388 /nfs/dbraw/zinc/75/43/88/373754388.db2.gz FOXIAWKBIVTKAT-NSHDSACASA-N 2 2 282.344 -0.022 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N[C@H]1CC[NH2+]C1 ZINC000516194980 373807004 /nfs/dbraw/zinc/80/70/04/373807004.db2.gz FNKBVGGELDRDQH-QWRGUYRKSA-N 2 2 256.350 -0.632 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)N[C@H]1CC[NH2+]C1 ZINC000516194980 373807013 /nfs/dbraw/zinc/80/70/13/373807013.db2.gz FNKBVGGELDRDQH-QWRGUYRKSA-N 2 2 256.350 -0.632 20 0 CBADLP COC(=O)c1cn([C@@H]2CC[N@H+](C[C@@H](C)[NH3+])C2)nn1 ZINC000516292973 373809271 /nfs/dbraw/zinc/80/92/71/373809271.db2.gz QDQQJJLZKHTBIF-RKDXNWHRSA-N 2 2 253.306 -0.341 20 0 CBADLP COC(=O)c1cn([C@@H]2CC[N@@H+](C[C@@H](C)[NH3+])C2)nn1 ZINC000516292973 373809278 /nfs/dbraw/zinc/80/92/78/373809278.db2.gz QDQQJJLZKHTBIF-RKDXNWHRSA-N 2 2 253.306 -0.341 20 0 CBADLP COC(=O)c1cn([C@H]2CC[N@H+](C[C@H](C)[NH3+])C2)nn1 ZINC000516292972 373809877 /nfs/dbraw/zinc/80/98/77/373809877.db2.gz QDQQJJLZKHTBIF-IUCAKERBSA-N 2 2 253.306 -0.341 20 0 CBADLP COC(=O)c1cn([C@H]2CC[N@@H+](C[C@H](C)[NH3+])C2)nn1 ZINC000516292972 373809881 /nfs/dbraw/zinc/80/98/81/373809881.db2.gz QDQQJJLZKHTBIF-IUCAKERBSA-N 2 2 253.306 -0.341 20 0 CBADLP COC(=O)C[C@H]([NH3+])C(=O)NCCn1cc[nH+]c1C ZINC000520805204 373831796 /nfs/dbraw/zinc/83/17/96/373831796.db2.gz PVWCXQAEUSXRBR-VIFPVBQESA-N 2 2 254.290 -0.802 20 0 CBADLP CN1CC[NH+](C[C@H](O)CNCC2([NH+](C)C)CCC2)CC1 ZINC000516051982 373800087 /nfs/dbraw/zinc/80/00/87/373800087.db2.gz KJJXZIBHTWBHGD-CQSZACIVSA-N 2 2 284.448 -0.331 20 0 CBADLP CN1CC[N@H+](C)[C@H](CNC(=O)N[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000524466080 373885388 /nfs/dbraw/zinc/88/53/88/373885388.db2.gz NXOOOGUSRZDAPK-TZMCWYRMSA-N 2 2 295.431 -0.232 20 0 CBADLP CN1CC[N@@H+](C)[C@H](CNC(=O)N[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000524466080 373885399 /nfs/dbraw/zinc/88/53/99/373885399.db2.gz NXOOOGUSRZDAPK-TZMCWYRMSA-N 2 2 295.431 -0.232 20 0 CBADLP CN1CC[NH+](C)[C@H](CNC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000524466080 373885410 /nfs/dbraw/zinc/88/54/10/373885410.db2.gz NXOOOGUSRZDAPK-TZMCWYRMSA-N 2 2 295.431 -0.232 20 0 CBADLP CN1CC[NH+](C)[C@H](CNC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000524466080 373885420 /nfs/dbraw/zinc/88/54/20/373885420.db2.gz NXOOOGUSRZDAPK-TZMCWYRMSA-N 2 2 295.431 -0.232 20 0 CBADLP CC[N@H+](CCNC[C@@H](O)C[NH+]1CCOCC1)C(C)C ZINC000521995747 373856465 /nfs/dbraw/zinc/85/64/65/373856465.db2.gz QOZLKJAOJUTTHV-CQSZACIVSA-N 2 2 273.421 -0.001 20 0 CBADLP CC[N@@H+](CCNC[C@@H](O)C[NH+]1CCOCC1)C(C)C ZINC000521995747 373856475 /nfs/dbraw/zinc/85/64/75/373856475.db2.gz QOZLKJAOJUTTHV-CQSZACIVSA-N 2 2 273.421 -0.001 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1C(=O)N(C)C ZINC000522058210 373857621 /nfs/dbraw/zinc/85/76/21/373857621.db2.gz GEANZRUBPDGZGI-STQMWFEESA-N 2 2 287.404 -0.522 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1C(=O)N(C)C ZINC000522058210 373857625 /nfs/dbraw/zinc/85/76/25/373857625.db2.gz GEANZRUBPDGZGI-STQMWFEESA-N 2 2 287.404 -0.522 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000522058210 373857628 /nfs/dbraw/zinc/85/76/28/373857628.db2.gz GEANZRUBPDGZGI-STQMWFEESA-N 2 2 287.404 -0.522 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000522058210 373857634 /nfs/dbraw/zinc/85/76/34/373857634.db2.gz GEANZRUBPDGZGI-STQMWFEESA-N 2 2 287.404 -0.522 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CCC[NH+]2C)CCO1 ZINC000522248453 373865293 /nfs/dbraw/zinc/86/52/93/373865293.db2.gz SDSXAUPSFXZAIT-NEPJUHHUSA-N 2 2 255.362 -0.083 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2CCC[NH+]2C)CCO1 ZINC000522248453 373865302 /nfs/dbraw/zinc/86/53/02/373865302.db2.gz SDSXAUPSFXZAIT-NEPJUHHUSA-N 2 2 255.362 -0.083 20 0 CBADLP C[C@@H]1C[NH+](CCNC(=O)[C@@H]2CCC[N@@H+]2C)CCO1 ZINC000522248453 373865306 /nfs/dbraw/zinc/86/53/06/373865306.db2.gz SDSXAUPSFXZAIT-NEPJUHHUSA-N 2 2 255.362 -0.083 20 0 CBADLP C[C@@H]1C[NH+](CCNC(=O)[C@@H]2CCC[N@H+]2C)CCO1 ZINC000522248453 373865314 /nfs/dbraw/zinc/86/53/14/373865314.db2.gz SDSXAUPSFXZAIT-NEPJUHHUSA-N 2 2 255.362 -0.083 20 0 CBADLP CNC(=O)NC[C@@H]1C[N@@H+](CCCc2c[nH+]cn2C)CCO1 ZINC000528622176 373965407 /nfs/dbraw/zinc/96/54/07/373965407.db2.gz PEIDJCCYRXWCAS-CYBMUJFWSA-N 2 2 295.387 -0.018 20 0 CBADLP CNC(=O)NC[C@@H]1C[N@H+](CCCc2c[nH+]cn2C)CCO1 ZINC000528622176 373965400 /nfs/dbraw/zinc/96/54/00/373965400.db2.gz PEIDJCCYRXWCAS-CYBMUJFWSA-N 2 2 295.387 -0.018 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N1CC[NH+](CCO)CC1 ZINC000527878252 373937803 /nfs/dbraw/zinc/93/78/03/373937803.db2.gz BYDROZSGHAYOIF-UHFFFAOYSA-N 2 2 252.318 -0.672 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)Cn2c[nH+]cc2C)CC1 ZINC000527971368 373939201 /nfs/dbraw/zinc/93/92/01/373939201.db2.gz ZZTPQLPAEYIILL-UHFFFAOYSA-N 2 2 293.371 -0.528 20 0 CBADLP CNC(=O)NC[C@H]1C[N@H+](CCn2cc[nH+]c2C)CCO1 ZINC000528618967 373964032 /nfs/dbraw/zinc/96/40/32/373964032.db2.gz HPSQRAXPTCKYDQ-LBPRGKRZSA-N 2 2 281.360 -0.179 20 0 CBADLP CNC(=O)NC[C@H]1C[N@@H+](CCn2cc[nH+]c2C)CCO1 ZINC000528618967 373964038 /nfs/dbraw/zinc/96/40/38/373964038.db2.gz HPSQRAXPTCKYDQ-LBPRGKRZSA-N 2 2 281.360 -0.179 20 0 CBADLP COc1cc[nH+]cc1CNC(=O)NC[C@H]1COCC[NH2+]1 ZINC000529328713 374001682 /nfs/dbraw/zinc/00/16/82/374001682.db2.gz VOOCGVGNQLECBZ-NSHDSACASA-N 2 2 280.328 -0.122 20 0 CBADLP C[N@@H+]1CCN(C(=O)N[C@H]2CC[NH2+]C23CCC3)[C@H](C[NH3+])C1 ZINC000529347333 374009032 /nfs/dbraw/zinc/00/90/32/374009032.db2.gz CKYROCGWOICMMI-NEPJUHHUSA-N 3 2 281.404 -0.445 20 0 CBADLP C[N@H+]1CCN(C(=O)N[C@H]2CC[NH2+]C23CCC3)[C@H](C[NH3+])C1 ZINC000529347333 374009036 /nfs/dbraw/zinc/00/90/36/374009036.db2.gz CKYROCGWOICMMI-NEPJUHHUSA-N 3 2 281.404 -0.445 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000528874952 373986474 /nfs/dbraw/zinc/98/64/74/373986474.db2.gz HGTRCDKVBVUWJB-GFCCVEGCSA-N 2 2 263.345 -0.692 20 0 CBADLP Cn1cc(C[NH+]2CCN(C(=O)N3CC[NH2+]CC3)CC2)cn1 ZINC000530221562 374067445 /nfs/dbraw/zinc/06/74/45/374067445.db2.gz FJHKTYJXKQOFQV-UHFFFAOYSA-N 2 2 292.387 -0.437 20 0 CBADLP Cn1nnc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)n1 ZINC000530240091 374068452 /nfs/dbraw/zinc/06/84/52/374068452.db2.gz KJALZAGHAGOXBV-LBPRGKRZSA-N 2 2 280.376 -0.199 20 0 CBADLP Cn1cc[nH+]c1CN1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000530241152 374068545 /nfs/dbraw/zinc/06/85/45/374068545.db2.gz CENDYXFILCLYDX-UHFFFAOYSA-N 2 2 292.387 -0.437 20 0 CBADLP Cc1n[nH]cc1C[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000530243610 374069250 /nfs/dbraw/zinc/06/92/50/374069250.db2.gz TZELARCVBPIRKD-UHFFFAOYSA-N 2 2 292.387 -0.139 20 0 CBADLP CNC(=O)NC[C@H]1C[N@H+](C[C@@H]2CCC[NH2+]C2)CCO1 ZINC000530232345 374069358 /nfs/dbraw/zinc/06/93/58/374069358.db2.gz YMRSRTHFHBKXKA-NEPJUHHUSA-N 2 2 270.377 -0.384 20 0 CBADLP CNC(=O)NC[C@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)CCO1 ZINC000530232345 374069361 /nfs/dbraw/zinc/06/93/61/374069361.db2.gz YMRSRTHFHBKXKA-NEPJUHHUSA-N 2 2 270.377 -0.384 20 0 CBADLP CCn1nncc1C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000530234429 374069396 /nfs/dbraw/zinc/06/93/96/374069396.db2.gz BSQJNSJDVZYWKR-LBPRGKRZSA-N 2 2 253.350 -0.156 20 0 CBADLP CC(=O)NCC(=O)N1CCC[N@H+](CC(C)(C)[NH3+])CC1 ZINC000530245018 374072235 /nfs/dbraw/zinc/07/22/35/374072235.db2.gz RSIJYYYTIKIONK-UHFFFAOYSA-N 2 2 270.377 -0.606 20 0 CBADLP CC(=O)NCC(=O)N1CCC[N@@H+](CC(C)(C)[NH3+])CC1 ZINC000530245018 374072248 /nfs/dbraw/zinc/07/22/48/374072248.db2.gz RSIJYYYTIKIONK-UHFFFAOYSA-N 2 2 270.377 -0.606 20 0 CBADLP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000531252136 374121761 /nfs/dbraw/zinc/12/17/61/374121761.db2.gz NCBDZKQDNZMQSS-ZDUSSCGKSA-N 3 2 286.420 -0.731 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH+]2CCO[C@H](C)C2)C1 ZINC000531295609 374126141 /nfs/dbraw/zinc/12/61/41/374126141.db2.gz UGIFWBSAUASQMM-OLZOCXBDSA-N 2 2 285.388 -0.456 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)NCC[NH+]2CCO[C@H](C)C2)C1 ZINC000531295609 374126151 /nfs/dbraw/zinc/12/61/51/374126151.db2.gz UGIFWBSAUASQMM-OLZOCXBDSA-N 2 2 285.388 -0.456 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)NCC[N@@H+]2CCO[C@H](C)C2)C1 ZINC000531295609 374126160 /nfs/dbraw/zinc/12/61/60/374126160.db2.gz UGIFWBSAUASQMM-OLZOCXBDSA-N 2 2 285.388 -0.456 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)NCC[N@H+]2CCO[C@H](C)C2)C1 ZINC000531295609 374126163 /nfs/dbraw/zinc/12/61/63/374126163.db2.gz UGIFWBSAUASQMM-OLZOCXBDSA-N 2 2 285.388 -0.456 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]2C[NH+](C)CCO2)CCO1 ZINC000531296242 374127162 /nfs/dbraw/zinc/12/71/62/374127162.db2.gz QEWFVSJWDCDRRH-VXGBXAGGSA-N 2 2 271.361 -0.846 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2C[NH+](C)CCO2)CCO1 ZINC000531296242 374127165 /nfs/dbraw/zinc/12/71/65/374127165.db2.gz QEWFVSJWDCDRRH-VXGBXAGGSA-N 2 2 271.361 -0.846 20 0 CBADLP C[C@@H]1C[NH+](CCNC(=O)[C@H]2C[N@H+](C)CCO2)CCO1 ZINC000531296242 374127170 /nfs/dbraw/zinc/12/71/70/374127170.db2.gz QEWFVSJWDCDRRH-VXGBXAGGSA-N 2 2 271.361 -0.846 20 0 CBADLP C[C@@H]1C[NH+](CCNC(=O)[C@H]2C[N@@H+](C)CCO2)CCO1 ZINC000531296242 374127173 /nfs/dbraw/zinc/12/71/73/374127173.db2.gz QEWFVSJWDCDRRH-VXGBXAGGSA-N 2 2 271.361 -0.846 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC(n3cc[nH+]c3)C2)C1 ZINC000531300195 374128068 /nfs/dbraw/zinc/12/80/68/374128068.db2.gz PNIOWSYQMYKJSM-LLVKDONJSA-N 2 2 250.302 -0.403 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N2CC(n3cc[nH+]c3)C2)C1 ZINC000531300195 374128074 /nfs/dbraw/zinc/12/80/74/374128074.db2.gz PNIOWSYQMYKJSM-LLVKDONJSA-N 2 2 250.302 -0.403 20 0 CBADLP C[NH+](C)C1CC[NH+](CCNC(=O)CNC(=O)C2CC2)CC1 ZINC000530893644 374104899 /nfs/dbraw/zinc/10/48/99/374104899.db2.gz KBYZKLMEZQTSMG-UHFFFAOYSA-N 2 2 296.415 -0.345 20 0 CBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000530958099 374108384 /nfs/dbraw/zinc/10/83/84/374108384.db2.gz OEFGOQCDMYJJQF-OLZOCXBDSA-N 2 2 285.388 -0.910 20 0 CBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000530958099 374108388 /nfs/dbraw/zinc/10/83/88/374108388.db2.gz OEFGOQCDMYJJQF-OLZOCXBDSA-N 2 2 285.388 -0.910 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NCC[NH+]1CCC1 ZINC000533112540 374183671 /nfs/dbraw/zinc/18/36/71/374183671.db2.gz FKVOWFXJNGAGDB-GFCCVEGCSA-N 2 2 270.377 -0.288 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NCC[NH+]1CCC1 ZINC000533112540 374183680 /nfs/dbraw/zinc/18/36/80/374183680.db2.gz FKVOWFXJNGAGDB-GFCCVEGCSA-N 2 2 270.377 -0.288 20 0 CBADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCNC(=O)c1cnccn1 ZINC000532220420 374162236 /nfs/dbraw/zinc/16/22/36/374162236.db2.gz YWWUBMURMJHQMF-JQWIXIFHSA-N 2 2 263.345 -0.254 20 0 CBADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCNC(=O)c1cnccn1 ZINC000532220420 374162240 /nfs/dbraw/zinc/16/22/40/374162240.db2.gz YWWUBMURMJHQMF-JQWIXIFHSA-N 2 2 263.345 -0.254 20 0 CBADLP Cn1c[nH+]cc1CCNC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000548515440 374201971 /nfs/dbraw/zinc/20/19/71/374201971.db2.gz OOBZZKHAHSONLP-CYBMUJFWSA-N 2 2 277.372 -0.531 20 0 CBADLP Cn1c[nH+]cc1CCNC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000548515440 374201976 /nfs/dbraw/zinc/20/19/76/374201976.db2.gz OOBZZKHAHSONLP-CYBMUJFWSA-N 2 2 277.372 -0.531 20 0 CBADLP CC[N@H+](CC(=O)NCC(=O)N1CC[NH+](CC)CC1)C1CC1 ZINC000552655350 374268844 /nfs/dbraw/zinc/26/88/44/374268844.db2.gz SEKCXTAGHMLAEE-UHFFFAOYSA-N 2 2 296.415 -0.249 20 0 CBADLP CC[N@@H+](CC(=O)NCC(=O)N1CC[NH+](CC)CC1)C1CC1 ZINC000552655350 374268849 /nfs/dbraw/zinc/26/88/49/374268849.db2.gz SEKCXTAGHMLAEE-UHFFFAOYSA-N 2 2 296.415 -0.249 20 0 CBADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000551842992 374247635 /nfs/dbraw/zinc/24/76/35/374247635.db2.gz RWJFNVNENFTGJW-QWHCGFSZSA-N 2 2 268.405 -0.310 20 0 CBADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000551842992 374247644 /nfs/dbraw/zinc/24/76/44/374247644.db2.gz RWJFNVNENFTGJW-QWHCGFSZSA-N 2 2 268.405 -0.310 20 0 CBADLP C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[N@@H+]1CCO ZINC000561535655 374302531 /nfs/dbraw/zinc/30/25/31/374302531.db2.gz OCCKWFBNPYGPDB-NSHDSACASA-N 2 2 266.345 -0.512 20 0 CBADLP C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[N@H+]1CCO ZINC000561535655 374302539 /nfs/dbraw/zinc/30/25/39/374302539.db2.gz OCCKWFBNPYGPDB-NSHDSACASA-N 2 2 266.345 -0.512 20 0 CBADLP C[NH+](C)[C@H]1CN(C(=O)C(C)(C)[NH+]2CCOCC2)C[C@@H]1O ZINC000561999475 374304462 /nfs/dbraw/zinc/30/44/62/374304462.db2.gz XHFPVUDUHIDJAE-RYUDHWBXSA-N 2 2 285.388 -0.770 20 0 CBADLP C[C@@H](C(=O)N1CC[NH2+]C[C@@](C)(F)C1)N1CC[NH+](C)CC1 ZINC000577872658 374342794 /nfs/dbraw/zinc/34/27/94/374342794.db2.gz VZFIRFQWYYSFAP-GXTWGEPZSA-N 2 2 286.395 -0.218 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC(O)(C[NH3+])CC2)CC1 ZINC000577875826 374342850 /nfs/dbraw/zinc/34/28/50/374342850.db2.gz CEVVQNWXBHQEHW-ZDUSSCGKSA-N 3 2 298.431 -0.675 20 0 CBADLP Cn1c[nH+]cc1CCC[NH+]1CCN(S(C)(=O)=O)CC1 ZINC000583271055 374359362 /nfs/dbraw/zinc/35/93/62/374359362.db2.gz NIMJANDZIJIIEZ-UHFFFAOYSA-N 2 2 286.401 -0.070 20 0 CBADLP CN(Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000583333868 374360644 /nfs/dbraw/zinc/36/06/44/374360644.db2.gz IORGJKAOWSQWJJ-LLVKDONJSA-N 2 2 266.349 -0.545 20 0 CBADLP CN(Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000583333868 374360649 /nfs/dbraw/zinc/36/06/49/374360649.db2.gz IORGJKAOWSQWJJ-LLVKDONJSA-N 2 2 266.349 -0.545 20 0 CBADLP CC1(C)C[N@H+](CCNC(=O)[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC000583755548 374365214 /nfs/dbraw/zinc/36/52/14/374365214.db2.gz VEUJETIAUASTHP-PHIMTYICSA-N 2 2 255.362 -0.049 20 0 CBADLP CC1(C)C[N@@H+](CCNC(=O)[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC000583755548 374365220 /nfs/dbraw/zinc/36/52/20/374365220.db2.gz VEUJETIAUASTHP-PHIMTYICSA-N 2 2 255.362 -0.049 20 0 CBADLP C[N@H+](C[C@H](O)C[NH+]1CCC[C@@H](N2CCNC2=O)C1)C1CC1 ZINC000583840983 374369669 /nfs/dbraw/zinc/36/96/69/374369669.db2.gz WYBNAMFHINRQFV-KGLIPLIRSA-N 2 2 296.415 -0.069 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@@H](N2CCNC2=O)C1)C1CC1 ZINC000583840983 374369672 /nfs/dbraw/zinc/36/96/72/374369672.db2.gz WYBNAMFHINRQFV-KGLIPLIRSA-N 2 2 296.415 -0.069 20 0 CBADLP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@@H](N2CCNC2=O)C1)C1CC1 ZINC000583840983 374369679 /nfs/dbraw/zinc/36/96/79/374369679.db2.gz WYBNAMFHINRQFV-KGLIPLIRSA-N 2 2 296.415 -0.069 20 0 CBADLP CNC(=O)CC[NH2+][C@@H]1CCC[C@@H]1[N@@H+]1CC[C@H](O)C1 ZINC000643962816 374464405 /nfs/dbraw/zinc/46/44/05/374464405.db2.gz FHTAUODMSIXAFP-TUAOUCFPSA-N 2 2 255.362 -0.300 20 0 CBADLP CNC(=O)CC[NH2+][C@@H]1CCC[C@@H]1[N@H+]1CC[C@H](O)C1 ZINC000643962816 374464411 /nfs/dbraw/zinc/46/44/11/374464411.db2.gz FHTAUODMSIXAFP-TUAOUCFPSA-N 2 2 255.362 -0.300 20 0 CBADLP C[C@H](CC[NH+](C)C)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000644562839 374595109 /nfs/dbraw/zinc/59/51/09/374595109.db2.gz BOGFFKRTFVLIAN-ZIAGYGMSSA-N 3 2 272.437 -0.476 20 0 CBADLP C[N@H+]1C[C@H]2[C@@H](CCN2C[C@H](O)C[NH+]2CCOCC2)C1 ZINC000644734690 374614592 /nfs/dbraw/zinc/61/45/92/374614592.db2.gz OPWAMCJWBKKODQ-MJBXVCDLSA-N 2 2 269.389 -0.685 20 0 CBADLP C[N@@H+]1C[C@H]2[C@@H](CCN2C[C@H](O)C[NH+]2CCOCC2)C1 ZINC000644734690 374614599 /nfs/dbraw/zinc/61/45/99/374614599.db2.gz OPWAMCJWBKKODQ-MJBXVCDLSA-N 2 2 269.389 -0.685 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000645103705 374643877 /nfs/dbraw/zinc/64/38/77/374643877.db2.gz AADLUEQLKSEEGB-QWHCGFSZSA-N 2 2 294.399 -0.591 20 0 CBADLP O=C(NCCNc1cccc[nH+]1)[C@@H]1C[NH2+]CCO1 ZINC000645332741 374661882 /nfs/dbraw/zinc/66/18/82/374661882.db2.gz YDLDWEFFUARUDR-JTQLQIEISA-N 2 2 250.302 -0.402 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC000646220369 374759848 /nfs/dbraw/zinc/75/98/48/374759848.db2.gz TUBANCGJHQSBJN-LBPRGKRZSA-N 2 2 280.372 -0.074 20 0 CBADLP C[C@H]([C@H](C)NC(=O)COCC[NH3+])[NH+]1CCOCC1 ZINC000645937262 374714585 /nfs/dbraw/zinc/71/45/85/374714585.db2.gz CMBUCRGNEXEPKD-WDEREUQCSA-N 2 2 259.350 -0.813 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C3(C)C[NH2+]C3)C2)CC1 ZINC000645977970 374721520 /nfs/dbraw/zinc/72/15/20/374721520.db2.gz PAHIZAJTMUCCSD-LBPRGKRZSA-N 3 2 280.416 -0.119 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C3(C)C[NH2+]C3)C2)CC1 ZINC000645977970 374721524 /nfs/dbraw/zinc/72/15/24/374721524.db2.gz PAHIZAJTMUCCSD-LBPRGKRZSA-N 3 2 280.416 -0.119 20 0 CBADLP C[N@@H+]1CCN(C(=O)[C@@H]2C[C@]23CC[NH2+]C3)[C@H](C[NH3+])C1 ZINC000646833251 374822105 /nfs/dbraw/zinc/82/21/05/374822105.db2.gz XSAHSPCFHDRGCZ-MDZLAQPJSA-N 3 2 252.362 -0.913 20 0 CBADLP C[N@H+]1CCN(C(=O)[C@@H]2C[C@]23CC[NH2+]C3)[C@H](C[NH3+])C1 ZINC000646833251 374822108 /nfs/dbraw/zinc/82/21/08/374822108.db2.gz XSAHSPCFHDRGCZ-MDZLAQPJSA-N 3 2 252.362 -0.913 20 0 CBADLP C[N@@H+]1CCN(C(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)[C@H](C[NH3+])C1 ZINC000646833187 374822400 /nfs/dbraw/zinc/82/24/00/374822400.db2.gz NIYBDIZYCRIQMU-HZSPNIEDSA-N 3 2 280.416 -0.277 20 0 CBADLP C[N@H+]1CCN(C(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)[C@H](C[NH3+])C1 ZINC000646833187 374822405 /nfs/dbraw/zinc/82/24/05/374822405.db2.gz NIYBDIZYCRIQMU-HZSPNIEDSA-N 3 2 280.416 -0.277 20 0 CBADLP C[N@@H+]1CCN(C(=O)[C@H]2CCc3c[nH]nc3C2)[C@@H](C[NH3+])C1 ZINC000646832024 374822598 /nfs/dbraw/zinc/82/25/98/374822598.db2.gz ZDWDJWWGUCROPV-JQWIXIFHSA-N 2 2 277.372 -0.384 20 0 CBADLP C[N@H+]1CCN(C(=O)[C@H]2CCc3c[nH]nc3C2)[C@@H](C[NH3+])C1 ZINC000646832024 374822605 /nfs/dbraw/zinc/82/26/05/374822605.db2.gz ZDWDJWWGUCROPV-JQWIXIFHSA-N 2 2 277.372 -0.384 20 0 CBADLP Cc1nc(N2CCN(C(=O)[C@@H]3C[NH2+]CCO3)CC2)cc[nH+]1 ZINC000646481417 374782601 /nfs/dbraw/zinc/78/26/01/374782601.db2.gz IROWHUPZHUCFTB-LBPRGKRZSA-N 2 2 291.355 -0.578 20 0 CBADLP C[C@@H]1CC2(CN1C(=O)CN1CC[NH2+]CC1=O)CC[NH2+]CC2 ZINC000647096361 374886031 /nfs/dbraw/zinc/88/60/31/374886031.db2.gz GTXVGIGRQUSBHM-GFCCVEGCSA-N 2 2 294.399 -0.591 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000646996749 374857267 /nfs/dbraw/zinc/85/72/67/374857267.db2.gz WJRKPKGSOKCUFA-VXGBXAGGSA-N 2 2 284.404 -0.171 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000646996749 374857270 /nfs/dbraw/zinc/85/72/70/374857270.db2.gz WJRKPKGSOKCUFA-VXGBXAGGSA-N 2 2 284.404 -0.171 20 0 CBADLP CO[C@H](C[NH3+])C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000289481460 197368693 /nfs/dbraw/zinc/36/86/93/197368693.db2.gz BWCZPWOAJVFFDV-LLVKDONJSA-N 2 2 262.313 -0.033 20 0 CBADLP CN(C)c1[nH+]cc(C[NH2+][C@H]2C[C@@H](C(N)=O)C2)n1C ZINC000651939000 412847214 /nfs/dbraw/zinc/84/72/14/412847214.db2.gz PRNJUISDABHEQA-DTORHVGOSA-N 2 2 251.334 -0.160 20 0 CBADLP O=C([C@H]1CCC[NH2+]1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000062976772 284552358 /nfs/dbraw/zinc/55/23/58/284552358.db2.gz JRWXUCAMBVZOBR-VXGBXAGGSA-N 2 2 253.346 -0.329 20 0 CBADLP C[N@@H+]1CCO[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC000263645721 190071898 /nfs/dbraw/zinc/07/18/98/190071898.db2.gz CFAGHQRJBOAJLH-NSHDSACASA-N 2 2 252.318 -0.280 20 0 CBADLP C[N@H+]1CCO[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC000263645721 190071899 /nfs/dbraw/zinc/07/18/99/190071899.db2.gz CFAGHQRJBOAJLH-NSHDSACASA-N 2 2 252.318 -0.280 20 0 CBADLP C[C@H](C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C)[NH+]1CCOCC1 ZINC000356393439 248242861 /nfs/dbraw/zinc/24/28/61/248242861.db2.gz RSPIEYCTQGOHJX-GRYCIOLGSA-N 2 2 255.362 -0.084 20 0 CBADLP C[NH2+][C@@H](C(=O)N1CC[N@H+](C)C[C@H]1C)c1cnn(C)c1 ZINC000357240014 248336561 /nfs/dbraw/zinc/33/65/61/248336561.db2.gz KXWBPTBGDJDNBD-ZYHUDNBSSA-N 2 2 265.361 -0.157 20 0 CBADLP C[NH2+][C@@H](C(=O)N1CC[N@@H+](C)C[C@H]1C)c1cnn(C)c1 ZINC000357240014 248336567 /nfs/dbraw/zinc/33/65/67/248336567.db2.gz KXWBPTBGDJDNBD-ZYHUDNBSSA-N 2 2 265.361 -0.157 20 0 CBADLP C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357079901 248318983 /nfs/dbraw/zinc/31/89/83/248318983.db2.gz DIUOOFPOAOPYBN-GMTAPVOTSA-N 2 2 280.372 -0.096 20 0 CBADLP C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357079901 248318987 /nfs/dbraw/zinc/31/89/87/248318987.db2.gz DIUOOFPOAOPYBN-GMTAPVOTSA-N 2 2 280.372 -0.096 20 0 CBADLP C[NH2+]CCC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000357221811 248334031 /nfs/dbraw/zinc/33/40/31/248334031.db2.gz DIPMDMNSKLPGNA-UHFFFAOYSA-N 2 2 251.334 -0.337 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](CCO)[C@@H](C)C2)C1 ZINC000356533889 248265513 /nfs/dbraw/zinc/26/55/13/248265513.db2.gz XGGZNUFABYRTEF-QWHCGFSZSA-N 2 2 285.388 -0.768 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](CCO)[C@@H](C)C2)C1 ZINC000356533889 248265517 /nfs/dbraw/zinc/26/55/17/248265517.db2.gz XGGZNUFABYRTEF-QWHCGFSZSA-N 2 2 285.388 -0.768 20 0 CBADLP CC[NH+]1CCO[C@@H](C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)C1 ZINC000356533889 248265523 /nfs/dbraw/zinc/26/55/23/248265523.db2.gz XGGZNUFABYRTEF-QWHCGFSZSA-N 2 2 285.388 -0.768 20 0 CBADLP CC[NH+]1CCO[C@@H](C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)C1 ZINC000356533889 248265527 /nfs/dbraw/zinc/26/55/27/248265527.db2.gz XGGZNUFABYRTEF-QWHCGFSZSA-N 2 2 285.388 -0.768 20 0 CBADLP C[C@@H](C[NH3+])C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000357251363 248340719 /nfs/dbraw/zinc/34/07/19/248340719.db2.gz UTEPLXGLVQOZCC-LBPRGKRZSA-N 2 2 296.415 -0.358 20 0 CBADLP CCN1CC[NH+](CCCNC(=O)C[C@H]2COCC[NH2+]2)CC1 ZINC000357246087 248341286 /nfs/dbraw/zinc/34/12/86/248341286.db2.gz XCQSIRSULNJGAZ-AWEZNQCLSA-N 2 2 298.431 -0.491 20 0 CBADLP CC[C@H]1C[N@H+](CCNC(=O)[C@H]2C[NH+](CC)CCO2)CCO1 ZINC000357366771 248353976 /nfs/dbraw/zinc/35/39/76/248353976.db2.gz CINZCAKAOCVFJE-UONOGXRCSA-N 2 2 299.415 -0.066 20 0 CBADLP CC[C@H]1C[N@@H+](CCNC(=O)[C@H]2C[NH+](CC)CCO2)CCO1 ZINC000357366771 248353979 /nfs/dbraw/zinc/35/39/79/248353979.db2.gz CINZCAKAOCVFJE-UONOGXRCSA-N 2 2 299.415 -0.066 20 0 CBADLP CC[C@H]1C[NH+](CCNC(=O)[C@H]2C[N@H+](CC)CCO2)CCO1 ZINC000357366771 248353982 /nfs/dbraw/zinc/35/39/82/248353982.db2.gz CINZCAKAOCVFJE-UONOGXRCSA-N 2 2 299.415 -0.066 20 0 CBADLP CC[C@H]1C[NH+](CCNC(=O)[C@H]2C[N@@H+](CC)CCO2)CCO1 ZINC000357366771 248353985 /nfs/dbraw/zinc/35/39/85/248353985.db2.gz CINZCAKAOCVFJE-UONOGXRCSA-N 2 2 299.415 -0.066 20 0 CBADLP C[C@H]1[C@H](C)[N@H+](C)CCN1CC(=O)N1CC[NH+](C)CC1 ZINC000357610440 248382704 /nfs/dbraw/zinc/38/27/04/248382704.db2.gz NXJCQBGANRBVET-STQMWFEESA-N 2 2 268.405 -0.215 20 0 CBADLP C[C@H]1[C@H](C)[N@@H+](C)CCN1CC(=O)N1CC[NH+](C)CC1 ZINC000357610440 248382707 /nfs/dbraw/zinc/38/27/07/248382707.db2.gz NXJCQBGANRBVET-STQMWFEESA-N 2 2 268.405 -0.215 20 0 CBADLP COCCCS(=O)(=O)NCC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000359308293 248568365 /nfs/dbraw/zinc/56/83/65/248568365.db2.gz OLJQTCNCQBAUDR-VXGBXAGGSA-N 2 2 291.417 -0.907 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000653125535 412885112 /nfs/dbraw/zinc/88/51/12/412885112.db2.gz CXGXVHHKHRQYHL-RYUDHWBXSA-N 3 2 254.378 -0.382 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000653125536 412885418 /nfs/dbraw/zinc/88/54/18/412885418.db2.gz CXGXVHHKHRQYHL-VXGBXAGGSA-N 3 2 254.378 -0.382 20 0 CBADLP COCC(=O)N1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000346845284 218034630 /nfs/dbraw/zinc/03/46/30/218034630.db2.gz MPYNAVCKEXTKRF-LBPRGKRZSA-N 2 2 255.362 -0.223 20 0 CBADLP Cc1cnc(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)cn1 ZINC000347095757 218120327 /nfs/dbraw/zinc/12/03/27/218120327.db2.gz HRGNDMGDTPOLJX-UHFFFAOYSA-N 2 2 263.345 -0.351 20 0 CBADLP Cc1cnc(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)cn1 ZINC000347095757 218120328 /nfs/dbraw/zinc/12/03/28/218120328.db2.gz HRGNDMGDTPOLJX-UHFFFAOYSA-N 2 2 263.345 -0.351 20 0 CBADLP COC(=O)c1cc(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)c[nH]1 ZINC000347180696 218146370 /nfs/dbraw/zinc/14/63/70/218146370.db2.gz VKGDFRYPOYRLRA-UHFFFAOYSA-N 2 2 294.355 -0.335 20 0 CBADLP COC(=O)c1cc(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)c[nH]1 ZINC000347180696 218146372 /nfs/dbraw/zinc/14/63/72/218146372.db2.gz VKGDFRYPOYRLRA-UHFFFAOYSA-N 2 2 294.355 -0.335 20 0 CBADLP C[C@H](CNC(=O)C1CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000347463337 218243729 /nfs/dbraw/zinc/24/37/29/218243729.db2.gz YZVPGLHWSWYYAB-LLVKDONJSA-N 2 2 255.362 -0.177 20 0 CBADLP [NH3+]CC(=O)NCC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000347479301 218251546 /nfs/dbraw/zinc/25/15/46/218251546.db2.gz PTBPUWXMYXZUJT-UHFFFAOYSA-N 2 2 291.355 -0.627 20 0 CBADLP C[C@@H]1C[NH+]=C(N2CC[NH+](CCC(=O)NC(N)=O)CC2)S1 ZINC000267084662 190302111 /nfs/dbraw/zinc/30/21/11/190302111.db2.gz RTIFSXVYMOSXJY-SECBINFHSA-N 2 2 299.400 -0.320 20 0 CBADLP Cc1cccn2cc(CNC(=O)CNC(=O)C[NH3+])[nH+]c12 ZINC000347697779 218326817 /nfs/dbraw/zinc/32/68/17/218326817.db2.gz QXOCQWWMGCSFOU-UHFFFAOYSA-N 2 2 275.312 -0.666 20 0 CBADLP CC[NH+](CC)CC(=O)N1CC[NH+](C[C@@](C)(O)C(C)=O)CC1 ZINC000347741945 218341964 /nfs/dbraw/zinc/34/19/64/218341964.db2.gz YICYMSPNOHHEAB-OAHLLOKOSA-N 2 2 299.415 -0.188 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H]3C[C@H]2CS3)CC1 ZINC000334791193 207083885 /nfs/dbraw/zinc/08/38/85/207083885.db2.gz XLMHJLTYOOSWOS-QWRGUYRKSA-N 2 2 255.387 -0.050 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2C[C@@H]3C[C@H]2CS3)CC1 ZINC000334791193 207083888 /nfs/dbraw/zinc/08/38/88/207083888.db2.gz XLMHJLTYOOSWOS-QWRGUYRKSA-N 2 2 255.387 -0.050 20 0 CBADLP C[C@@H](CNC(=O)C[C@@H]1C[NH2+]CCO1)[NH+]1CCOCC1 ZINC000164913619 207397224 /nfs/dbraw/zinc/39/72/24/207397224.db2.gz HYOOBKRIOFJLCS-NWDGAFQWSA-N 2 2 271.361 -0.798 20 0 CBADLP O=C(C[NH2+]C[C@H]1CCCO1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000165522196 207397583 /nfs/dbraw/zinc/39/75/83/207397583.db2.gz LBCIVCQACQDVCJ-ZIAGYGMSSA-N 2 2 297.399 -0.312 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)NCCCNc1cccc[nH+]1 ZINC000165243768 207397102 /nfs/dbraw/zinc/39/71/02/207397102.db2.gz XOPPAYHUIVPUMB-UHFFFAOYSA-N 2 2 291.355 -0.568 20 0 CBADLP C[C@H]([NH3+])[C@H](C)Nc1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000420266499 207809516 /nfs/dbraw/zinc/80/95/16/207809516.db2.gz QTDJPINFIRTBCM-UWVGGRQHSA-N 2 2 278.360 -0.097 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000423601363 207910445 /nfs/dbraw/zinc/91/04/45/207910445.db2.gz GOCMRQSTSJIWFQ-NWDGAFQWSA-N 2 2 284.404 -0.301 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000423601363 207910448 /nfs/dbraw/zinc/91/04/48/207910448.db2.gz GOCMRQSTSJIWFQ-NWDGAFQWSA-N 2 2 284.404 -0.301 20 0 CBADLP CN(C)c1[nH+]cc(C[N@H+](C)CCOCCO)n1C ZINC000425385192 208020227 /nfs/dbraw/zinc/02/02/27/208020227.db2.gz RDWSHOHRDYHVGQ-UHFFFAOYSA-N 2 2 256.350 -0.073 20 0 CBADLP CN(C)c1[nH+]cc(C[N@@H+](C)CCOCCO)n1C ZINC000425385192 208020234 /nfs/dbraw/zinc/02/02/34/208020234.db2.gz RDWSHOHRDYHVGQ-UHFFFAOYSA-N 2 2 256.350 -0.073 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C[C@@H]1CC[NH2+]C1 ZINC000427288957 208057875 /nfs/dbraw/zinc/05/78/75/208057875.db2.gz RXEVQRYVGYXQHC-NEPJUHHUSA-N 2 2 255.362 -0.177 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C[C@@H]1CC[NH2+]C1 ZINC000427288957 208057882 /nfs/dbraw/zinc/05/78/82/208057882.db2.gz RXEVQRYVGYXQHC-NEPJUHHUSA-N 2 2 255.362 -0.177 20 0 CBADLP CN(C)C(=O)C[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000429671299 208129631 /nfs/dbraw/zinc/12/96/31/208129631.db2.gz NIKDZECRGWIGPI-UHFFFAOYSA-N 2 2 270.377 -0.830 20 0 CBADLP CN(C)C(=O)C[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000429671299 208129636 /nfs/dbraw/zinc/12/96/36/208129636.db2.gz NIKDZECRGWIGPI-UHFFFAOYSA-N 2 2 270.377 -0.830 20 0 CBADLP Cn1ncnc1C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430647080 208170039 /nfs/dbraw/zinc/17/00/39/208170039.db2.gz XJKZVHMUDPZLNT-GFCCVEGCSA-N 2 2 292.387 -0.541 20 0 CBADLP Cn1ncnc1C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430647080 208170044 /nfs/dbraw/zinc/17/00/44/208170044.db2.gz XJKZVHMUDPZLNT-GFCCVEGCSA-N 2 2 292.387 -0.541 20 0 CBADLP CC(=O)N1CCN(C(=O)[C@@H](C)[NH+]2CCC([NH3+])CC2)CC1 ZINC000430637393 208170407 /nfs/dbraw/zinc/17/04/07/208170407.db2.gz BAMUYZYCSHCGGO-LLVKDONJSA-N 2 2 282.388 -0.511 20 0 CBADLP O=C(NCCc1cn2c([nH+]1)CCCC2)[C@H]1COCC[NH2+]1 ZINC000430704291 208172360 /nfs/dbraw/zinc/17/23/60/208172360.db2.gz MYGAGXWNUPXHPW-GFCCVEGCSA-N 2 2 278.356 -0.134 20 0 CBADLP [NH3+]CCC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000430694443 208173046 /nfs/dbraw/zinc/17/30/46/208173046.db2.gz DOHXXVLHADZBFW-UHFFFAOYSA-N 2 2 282.388 -0.604 20 0 CBADLP Cc1cccc(NCCNC(=O)[C@H]2COCC[NH2+]2)[nH+]1 ZINC000430712901 208174181 /nfs/dbraw/zinc/17/41/81/208174181.db2.gz IPIHVHCRRYXXHG-LLVKDONJSA-N 2 2 264.329 -0.093 20 0 CBADLP C[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](C)CC2)[C@@H]1C[NH3+] ZINC000423741827 296364071 /nfs/dbraw/zinc/36/40/71/296364071.db2.gz TYZJOAQGAOIWKJ-VXGBXAGGSA-N 2 2 282.388 -0.654 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)C[C@@H](C)[NH3+])CC1 ZINC000430744150 208179130 /nfs/dbraw/zinc/17/91/30/208179130.db2.gz MTNNATLFCIXQNE-SNVBAGLBSA-N 2 2 256.350 -0.996 20 0 CBADLP C[C@H](CNC(=O)CN1CC[NH2+]CC1=O)[N@@H+]1CCC[C@H](C)C1 ZINC000430740019 208179987 /nfs/dbraw/zinc/17/99/87/208179987.db2.gz ITRXEDOWBYQIDX-QWHCGFSZSA-N 2 2 296.415 -0.345 20 0 CBADLP C[C@H](CNC(=O)CN1CC[NH2+]CC1=O)[N@H+]1CCC[C@H](C)C1 ZINC000430740019 208179989 /nfs/dbraw/zinc/17/99/89/208179989.db2.gz ITRXEDOWBYQIDX-QWHCGFSZSA-N 2 2 296.415 -0.345 20 0 CBADLP O=C([C@H]1COCC[NH2+]1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000430782954 208180907 /nfs/dbraw/zinc/18/09/07/208180907.db2.gz KZVBSBLTRNUIMJ-CHWSQXEVSA-N 2 2 283.372 -0.845 20 0 CBADLP CC(C)([NH3+])C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000430792757 208181438 /nfs/dbraw/zinc/18/14/38/208181438.db2.gz JBFOFDZPRHAONJ-UHFFFAOYSA-N 2 2 256.350 -0.868 20 0 CBADLP C[C@H]([NH3+])CC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000430839668 208184086 /nfs/dbraw/zinc/18/40/86/208184086.db2.gz PIKUCGCHOSSKAD-LBPRGKRZSA-N 2 2 282.388 -0.510 20 0 CBADLP CC[N@@H+]1CC[C@H](N(C)C(=O)CN2CC[NH2+]CC2=O)[C@H](C)C1 ZINC000430801825 208184292 /nfs/dbraw/zinc/18/42/92/208184292.db2.gz HKLZPZKOWQKUOU-OLZOCXBDSA-N 2 2 296.415 -0.393 20 0 CBADLP CC[N@H+]1CC[C@H](N(C)C(=O)CN2CC[NH2+]CC2=O)[C@H](C)C1 ZINC000430801825 208184300 /nfs/dbraw/zinc/18/43/00/208184300.db2.gz HKLZPZKOWQKUOU-OLZOCXBDSA-N 2 2 296.415 -0.393 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C[C@H]1CCC[NH2+]1 ZINC000430893318 208186842 /nfs/dbraw/zinc/18/68/42/208186842.db2.gz IJIVYYXNDQWWSQ-NWDGAFQWSA-N 2 2 255.362 -0.035 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)C[C@H]1CCC[NH2+]1 ZINC000430893318 208186849 /nfs/dbraw/zinc/18/68/49/208186849.db2.gz IJIVYYXNDQWWSQ-NWDGAFQWSA-N 2 2 255.362 -0.035 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C[C@H]1C[NH2+]CCO1 ZINC000430895569 208187645 /nfs/dbraw/zinc/18/76/45/208187645.db2.gz UYAZBPOURVLOGH-NEPJUHHUSA-N 2 2 271.361 -0.798 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C[C@H]1C[NH2+]CCO1 ZINC000430895569 208187650 /nfs/dbraw/zinc/18/76/50/208187650.db2.gz UYAZBPOURVLOGH-NEPJUHHUSA-N 2 2 271.361 -0.798 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000430880225 208188083 /nfs/dbraw/zinc/18/80/83/208188083.db2.gz SIUMBIWCIICHKR-NEPJUHHUSA-N 2 2 255.362 -0.035 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000430880225 208188089 /nfs/dbraw/zinc/18/80/89/208188089.db2.gz SIUMBIWCIICHKR-NEPJUHHUSA-N 2 2 255.362 -0.035 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CCCC[NH2+]1 ZINC000430880228 208188879 /nfs/dbraw/zinc/18/88/79/208188879.db2.gz SIUMBIWCIICHKR-VXGBXAGGSA-N 2 2 255.362 -0.035 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1CCCC[NH2+]1 ZINC000430880228 208188884 /nfs/dbraw/zinc/18/88/84/208188884.db2.gz SIUMBIWCIICHKR-VXGBXAGGSA-N 2 2 255.362 -0.035 20 0 CBADLP CN(C(=O)CN1CC[NH2+]CC1=O)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000430900393 208189588 /nfs/dbraw/zinc/18/95/88/208189588.db2.gz PKLDGAVQGZJJJX-GFCCVEGCSA-N 2 2 280.372 -0.887 20 0 CBADLP CN(C(=O)CN1CC[NH2+]CC1=O)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000430900393 208189589 /nfs/dbraw/zinc/18/95/89/208189589.db2.gz PKLDGAVQGZJJJX-GFCCVEGCSA-N 2 2 280.372 -0.887 20 0 CBADLP CN(C(=O)CN1CC[NH2+]CC1=O)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000430900395 208191025 /nfs/dbraw/zinc/19/10/25/208191025.db2.gz PKLDGAVQGZJJJX-LBPRGKRZSA-N 2 2 280.372 -0.887 20 0 CBADLP CN(C(=O)CN1CC[NH2+]CC1=O)[C@H]1CC[N@H+](C2CC2)C1 ZINC000430900395 208191028 /nfs/dbraw/zinc/19/10/28/208191028.db2.gz PKLDGAVQGZJJJX-LBPRGKRZSA-N 2 2 280.372 -0.887 20 0 CBADLP C[NH2+]C[C@H]1CC[N@H+](CCNS(=O)(=O)CCCOC)C1 ZINC000430915644 208191232 /nfs/dbraw/zinc/19/12/32/208191232.db2.gz DQMDJGHFRJCEPB-GFCCVEGCSA-N 2 2 293.433 -0.516 20 0 CBADLP C[NH2+]C[C@H]1CC[N@@H+](CCNS(=O)(=O)CCCOC)C1 ZINC000430915644 208191235 /nfs/dbraw/zinc/19/12/35/208191235.db2.gz DQMDJGHFRJCEPB-GFCCVEGCSA-N 2 2 293.433 -0.516 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@H](C[NH3+])C2)CC1 ZINC000430931353 208192052 /nfs/dbraw/zinc/19/20/52/208192052.db2.gz BOXIJEZNBDNCFE-CHWSQXEVSA-N 3 2 268.405 -0.180 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@H](C[NH3+])C2)CC1 ZINC000430931353 208192057 /nfs/dbraw/zinc/19/20/57/208192057.db2.gz BOXIJEZNBDNCFE-CHWSQXEVSA-N 3 2 268.405 -0.180 20 0 CBADLP COCCCS(=O)(=O)NCC[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430958384 208192605 /nfs/dbraw/zinc/19/26/05/208192605.db2.gz XOFLVJJCVGHCFW-VXGBXAGGSA-N 2 2 293.433 -0.389 20 0 CBADLP COCCCS(=O)(=O)NCC[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430958384 208192610 /nfs/dbraw/zinc/19/26/10/208192610.db2.gz XOFLVJJCVGHCFW-VXGBXAGGSA-N 2 2 293.433 -0.389 20 0 CBADLP COC[C@@H](C)NC(=O)NC(=O)C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000430968107 208196367 /nfs/dbraw/zinc/19/63/67/208196367.db2.gz WZCFUPVQTUFOJI-NXEZZACHSA-N 2 2 272.349 -0.872 20 0 CBADLP COC[C@@H](C)NC(=O)NC(=O)C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430968107 208196374 /nfs/dbraw/zinc/19/63/74/208196374.db2.gz WZCFUPVQTUFOJI-NXEZZACHSA-N 2 2 272.349 -0.872 20 0 CBADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)[C@]1(C)CC[NH2+]C1 ZINC000431022085 208199869 /nfs/dbraw/zinc/19/98/69/208199869.db2.gz METWGLNOQMEYPH-GXTWGEPZSA-N 2 2 268.405 -0.262 20 0 CBADLP C[C@@H]1C[C@H](NC(=O)CN2CC[NH2+]CC2=O)C[N@@H+]1C1CC1 ZINC000431028969 208200832 /nfs/dbraw/zinc/20/08/32/208200832.db2.gz WKHAQSNHQOOKAY-MNOVXSKESA-N 2 2 280.372 -0.840 20 0 CBADLP C[C@@H]1C[C@H](NC(=O)CN2CC[NH2+]CC2=O)C[N@H+]1C1CC1 ZINC000431028969 208200837 /nfs/dbraw/zinc/20/08/37/208200837.db2.gz WKHAQSNHQOOKAY-MNOVXSKESA-N 2 2 280.372 -0.840 20 0 CBADLP C[C@H]1C[C@@H](NC(=O)CN2CC[NH2+]CC2=O)C[N@@H+]1C1CC1 ZINC000431028971 208201662 /nfs/dbraw/zinc/20/16/62/208201662.db2.gz WKHAQSNHQOOKAY-WDEREUQCSA-N 2 2 280.372 -0.840 20 0 CBADLP C[C@H]1C[C@@H](NC(=O)CN2CC[NH2+]CC2=O)C[N@H+]1C1CC1 ZINC000431028971 208201667 /nfs/dbraw/zinc/20/16/67/208201667.db2.gz WKHAQSNHQOOKAY-WDEREUQCSA-N 2 2 280.372 -0.840 20 0 CBADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1csc(C[NH3+])n1 ZINC000431029804 208201954 /nfs/dbraw/zinc/20/19/54/208201954.db2.gz GSWKZFNEWJAHAU-SNVBAGLBSA-N 2 2 297.428 -0.033 20 0 CBADLP CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000433493762 208248748 /nfs/dbraw/zinc/24/87/48/208248748.db2.gz MJVHTCZALZSLKQ-PRHODGIISA-N 2 2 256.350 -0.062 20 0 CBADLP C[C@@H]([NH3+])CCC(=O)NC[C@H](C)[NH+]1CCN(C)CC1 ZINC000434676633 208265970 /nfs/dbraw/zinc/26/59/70/208265970.db2.gz SRJCMTKZQWQWOY-NEPJUHHUSA-N 2 2 256.394 -0.134 20 0 CBADLP C[NH2+]CCC[NH+]1CCN(c2ccc(C(N)=O)cn2)CC1 ZINC000435879618 208285062 /nfs/dbraw/zinc/28/50/62/208285062.db2.gz LBYSGFYZFROWEQ-UHFFFAOYSA-N 2 2 277.372 -0.088 20 0 CBADLP C[N@H+](CCCO)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000440942424 208346980 /nfs/dbraw/zinc/34/69/80/208346980.db2.gz UJXGASDGFMYTQS-UHFFFAOYSA-N 2 2 287.404 -0.472 20 0 CBADLP C[N@@H+](CCCO)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000440942424 208346983 /nfs/dbraw/zinc/34/69/83/208346983.db2.gz UJXGASDGFMYTQS-UHFFFAOYSA-N 2 2 287.404 -0.472 20 0 CBADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C[C@H](C)[NH3+])CC1 ZINC000442653918 208357361 /nfs/dbraw/zinc/35/73/61/208357361.db2.gz AOTYOMVCODHQEZ-WDEREUQCSA-N 2 2 254.378 -0.382 20 0 CBADLP O=C([C@@H]1C[C@]12CC[NH2+]C2)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000444169061 208405447 /nfs/dbraw/zinc/40/54/47/208405447.db2.gz JLHKALURWKJXDU-IPYPFGDCSA-N 2 2 279.384 -0.081 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H](C)CC[NH+]2CCOCC2)C1 ZINC000353761514 220313561 /nfs/dbraw/zinc/31/35/61/220313561.db2.gz UYEQPACMMWLWEO-ZIAGYGMSSA-N 2 2 299.415 -0.066 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@H](C)CC[NH+]2CCOCC2)C1 ZINC000353761514 220313565 /nfs/dbraw/zinc/31/35/65/220313565.db2.gz UYEQPACMMWLWEO-ZIAGYGMSSA-N 2 2 299.415 -0.066 20 0 CBADLP Cc1cc(N2CC[C@H]([NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)C2=O)n(C)n1 ZINC000359269275 291941666 /nfs/dbraw/zinc/94/16/66/291941666.db2.gz CIEAXAVPWFDDFP-UPJWGTAASA-N 2 2 289.383 -0.015 20 0 CBADLP [NH3+][C@@H]1C[C@H]2C[N@H+](Cc3cncs3)CCN2C1=O ZINC000575073010 335062104 /nfs/dbraw/zinc/06/21/04/335062104.db2.gz NRUWWHYGFXZIAU-WCBMZHEXSA-N 2 2 252.343 -0.113 20 0 CBADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](Cc3cncs3)CCN2C1=O ZINC000575073010 335062105 /nfs/dbraw/zinc/06/21/05/335062105.db2.gz NRUWWHYGFXZIAU-WCBMZHEXSA-N 2 2 252.343 -0.113 20 0 CBADLP COC[C@H]([NH3+])C(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000262268340 285384602 /nfs/dbraw/zinc/38/46/02/285384602.db2.gz KBIVPMABWMPBNH-GRYCIOLGSA-N 2 2 271.361 -0.861 20 0 CBADLP COC1(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC[NH2+]CC1 ZINC000178744815 292093797 /nfs/dbraw/zinc/09/37/97/292093797.db2.gz GGECCCURROKKMM-UHFFFAOYSA-N 2 2 299.415 -0.018 20 0 CBADLP COC1(C(=O)NCC[N@H+]2CCOC(C)(C)C2)CC[NH2+]CC1 ZINC000178744815 292093798 /nfs/dbraw/zinc/09/37/98/292093798.db2.gz GGECCCURROKKMM-UHFFFAOYSA-N 2 2 299.415 -0.018 20 0 CBADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1N[C@H]1C[NH2+]CCC1(F)F ZINC000423491860 285889883 /nfs/dbraw/zinc/88/98/83/285889883.db2.gz ZTPLWEOTGJEIAO-KXUCPTDWSA-N 2 2 277.315 -0.133 20 0 CBADLP O=C([C@@H]1CC[NH2+]C1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000165684596 304352773 /nfs/dbraw/zinc/35/27/73/304352773.db2.gz FEJRYQKMNIMSLA-CHWSQXEVSA-N 2 2 267.373 -0.081 20 0 CBADLP CCOCC[NH+]1CCN(C(=O)[C@]2(F)CC[NH2+]C2)CC1 ZINC000164475280 286088082 /nfs/dbraw/zinc/08/80/82/286088082.db2.gz GXYRMIHIGKEMNJ-ZDUSSCGKSA-N 2 2 273.352 -0.131 20 0 CBADLP O=C([C@@H]1C[NH2+]CCO1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000237954039 304369696 /nfs/dbraw/zinc/36/96/96/304369696.db2.gz VKVFSDFYVLYLQN-KBPBESRZSA-N 2 2 297.399 -0.312 20 0 CBADLP O=C([C@@H]1CSC[NH2+]1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000372099461 304377900 /nfs/dbraw/zinc/37/79/00/304377900.db2.gz VAMACHVMIQIOTK-TUAOUCFPSA-N 2 2 285.413 -0.294 20 0 CBADLP COCCCS(=O)(=O)NCC[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000430646662 292372638 /nfs/dbraw/zinc/37/26/38/292372638.db2.gz DTSIDILDKHMZER-GFCCVEGCSA-N 2 2 293.433 -0.387 20 0 CBADLP COCCCS(=O)(=O)NCC[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000430646662 292372639 /nfs/dbraw/zinc/37/26/39/292372639.db2.gz DTSIDILDKHMZER-GFCCVEGCSA-N 2 2 293.433 -0.387 20 0 CBADLP O=C([C@H]1C[NH2+]CCO1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000188165620 304454960 /nfs/dbraw/zinc/45/49/60/304454960.db2.gz VKVFSDFYVLYLQN-ZIAGYGMSSA-N 2 2 297.399 -0.312 20 0 CBADLP COc1c(N)[nH+]cnc1NCC[N@@H+]1CC[C@H](O)C1 ZINC000624777009 409699929 /nfs/dbraw/zinc/69/99/29/409699929.db2.gz POIMXDMRYQCUJZ-QMMMGPOBSA-N 2 2 253.306 -0.454 20 0 CBADLP COc1c(N)[nH+]cnc1NCC[N@H+]1CC[C@H](O)C1 ZINC000624777009 409699935 /nfs/dbraw/zinc/69/99/35/409699935.db2.gz POIMXDMRYQCUJZ-QMMMGPOBSA-N 2 2 253.306 -0.454 20 0 CBADLP O=C(CCn1cc[nH+]c1)N1CC[NH+](CCO)CC1 ZINC000035609669 172295059 /nfs/dbraw/zinc/29/50/59/172295059.db2.gz PYIXLGGSGYANOQ-UHFFFAOYSA-N 2 2 252.318 -0.590 20 0 CBADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC(NC(N)=O)CC1 ZINC000659997990 413570358 /nfs/dbraw/zinc/57/03/58/413570358.db2.gz HIBITHGUTHBREY-GFCCVEGCSA-N 2 2 272.393 -0.180 20 0 CBADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(NC(N)=O)CC1 ZINC000659997990 413570366 /nfs/dbraw/zinc/57/03/66/413570366.db2.gz HIBITHGUTHBREY-GFCCVEGCSA-N 2 2 272.393 -0.180 20 0 CBADLP CCCN(CCC)C(=O)C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031328 174024396 /nfs/dbraw/zinc/02/43/96/174024396.db2.gz ATCUBFNAAJGUGO-UHFFFAOYSA-N 2 2 298.431 -0.001 20 0 CBADLP CCCN(CCC)C(=O)C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031328 174024397 /nfs/dbraw/zinc/02/43/97/174024397.db2.gz ATCUBFNAAJGUGO-UHFFFAOYSA-N 2 2 298.431 -0.001 20 0 CBADLP C[C@H](C(=O)NC1CC1)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031568 174025761 /nfs/dbraw/zinc/02/57/61/174025761.db2.gz RHRZUOBYCRRDPC-SNVBAGLBSA-N 2 2 268.361 -0.983 20 0 CBADLP C[C@H](C(=O)NC1CC1)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031568 174025763 /nfs/dbraw/zinc/02/57/63/174025763.db2.gz RHRZUOBYCRRDPC-SNVBAGLBSA-N 2 2 268.361 -0.983 20 0 CBADLP CCN(CC)C(=O)C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031503 174025869 /nfs/dbraw/zinc/02/58/69/174025869.db2.gz NYOXCXQWILDAIV-UHFFFAOYSA-N 2 2 270.377 -0.782 20 0 CBADLP CCN(CC)C(=O)C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031503 174025870 /nfs/dbraw/zinc/02/58/70/174025870.db2.gz NYOXCXQWILDAIV-UHFFFAOYSA-N 2 2 270.377 -0.782 20 0 CBADLP CCN(CC)C(=O)[C@H](C)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031586 174025988 /nfs/dbraw/zinc/02/59/88/174025988.db2.gz VOCJWKOECONPBN-LBPRGKRZSA-N 2 2 284.404 -0.393 20 0 CBADLP CCN(CC)C(=O)[C@H](C)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031586 174025989 /nfs/dbraw/zinc/02/59/89/174025989.db2.gz VOCJWKOECONPBN-LBPRGKRZSA-N 2 2 284.404 -0.393 20 0 CBADLP C[N@H+](CC(=O)NC(C)(C)C)CC(=O)N1CC[NH2+]CC1 ZINC000038031504 174026424 /nfs/dbraw/zinc/02/64/24/174026424.db2.gz WUIINCASGRFVRX-UHFFFAOYSA-N 2 2 270.377 -0.735 20 0 CBADLP C[N@@H+](CC(=O)NC(C)(C)C)CC(=O)N1CC[NH2+]CC1 ZINC000038031504 174026426 /nfs/dbraw/zinc/02/64/26/174026426.db2.gz WUIINCASGRFVRX-UHFFFAOYSA-N 2 2 270.377 -0.735 20 0 CBADLP CCCCNC(=O)[C@H](C)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031560 174026552 /nfs/dbraw/zinc/02/65/52/174026552.db2.gz BHVJNFVWKLUSJO-LBPRGKRZSA-N 2 2 284.404 -0.345 20 0 CBADLP CCCCNC(=O)[C@H](C)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031560 174026555 /nfs/dbraw/zinc/02/65/55/174026555.db2.gz BHVJNFVWKLUSJO-LBPRGKRZSA-N 2 2 284.404 -0.345 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+]C[C@H]2CCCOC2)CC1 ZINC000038045925 174054332 /nfs/dbraw/zinc/05/43/32/174054332.db2.gz BYRFJLRNYXZPKE-GFCCVEGCSA-N 2 2 255.362 -0.223 20 0 CBADLP C[NH2+]C[C@H]1CCC[N@H+](CC(=O)N2CCN(C(C)=O)CC2)C1 ZINC000040600456 174351020 /nfs/dbraw/zinc/35/10/20/174351020.db2.gz MYHAZSSXDWHLMU-CQSZACIVSA-N 2 2 296.415 -0.392 20 0 CBADLP C[NH2+]C[C@H]1CCC[N@@H+](CC(=O)N2CCN(C(C)=O)CC2)C1 ZINC000040600456 174351022 /nfs/dbraw/zinc/35/10/22/174351022.db2.gz MYHAZSSXDWHLMU-CQSZACIVSA-N 2 2 296.415 -0.392 20 0 CBADLP O=C([C@H]1C[NH2+]CCO1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000043709950 175102908 /nfs/dbraw/zinc/10/29/08/175102908.db2.gz NAOICFHSIYRIAC-CQSZACIVSA-N 2 2 290.367 -0.286 20 0 CBADLP O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000575138800 335071857 /nfs/dbraw/zinc/07/18/57/335071857.db2.gz NADMBTCLKNPDTO-WDEREUQCSA-N 2 2 291.355 -0.059 20 0 CBADLP COC(=O)CN1CC[NH+](CCn2cc[nH+]c2C)CC1 ZINC000077121716 177226608 /nfs/dbraw/zinc/22/66/08/177226608.db2.gz GFNOFRCZENNINE-UHFFFAOYSA-N 2 2 266.345 -0.018 20 0 CBADLP C[C@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)[C@H]1C[NH+](C)CCO1 ZINC000127102820 544456746 /nfs/dbraw/zinc/45/67/46/544456746.db2.gz KFVBVSUEYFZOCP-TUAOUCFPSA-N 2 2 271.361 -0.848 20 0 CBADLP C[C@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)[C@H]1C[NH+](C)CCO1 ZINC000127102820 544456749 /nfs/dbraw/zinc/45/67/49/544456749.db2.gz KFVBVSUEYFZOCP-TUAOUCFPSA-N 2 2 271.361 -0.848 20 0 CBADLP C[C@H](NC(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1C[N@H+](C)CCO1 ZINC000127102820 544456755 /nfs/dbraw/zinc/45/67/55/544456755.db2.gz KFVBVSUEYFZOCP-TUAOUCFPSA-N 2 2 271.361 -0.848 20 0 CBADLP C[C@H](NC(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1C[N@@H+](C)CCO1 ZINC000127102820 544456760 /nfs/dbraw/zinc/45/67/60/544456760.db2.gz KFVBVSUEYFZOCP-TUAOUCFPSA-N 2 2 271.361 -0.848 20 0 CBADLP CN(C)c1[nH+]cc(C[NH2+][C@@H]2CCC(=O)N(C)C2=O)n1C ZINC000090026751 544437259 /nfs/dbraw/zinc/43/72/59/544437259.db2.gz YPOPESAQUPZZPS-SNVBAGLBSA-N 2 2 279.344 -0.277 20 0 CBADLP C[NH+]1CCN(C(=O)Cn2cc(C[NH2+]C3CC3)nn2)CC1 ZINC000090297658 544439744 /nfs/dbraw/zinc/43/97/44/544439744.db2.gz HAQSLHXWUNIEHW-UHFFFAOYSA-N 2 2 278.360 -0.696 20 0 CBADLP NC(=O)c1ccc(N2CC[NH+](CCC[NH3+])CC2)nc1 ZINC000095007804 544446324 /nfs/dbraw/zinc/44/63/24/544446324.db2.gz OZQBAPBZTGSZDD-UHFFFAOYSA-N 2 2 263.345 -0.349 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)COC1(C)C[NH2+]C1 ZINC000098061676 544447168 /nfs/dbraw/zinc/44/71/68/544447168.db2.gz JRXYCPXEZXXEDG-JTQLQIEISA-N 2 2 252.318 -0.234 20 0 CBADLP CN1CC[N@H+](C)[C@@H](CNC(=O)CC2([NH3+])CCC2)C1 ZINC000226900638 544493082 /nfs/dbraw/zinc/49/30/82/544493082.db2.gz HRFHNNFAKVDVID-NSHDSACASA-N 2 2 254.378 -0.380 20 0 CBADLP CN1CC[N@@H+](C)[C@@H](CNC(=O)CC2([NH3+])CCC2)C1 ZINC000226900638 544493087 /nfs/dbraw/zinc/49/30/87/544493087.db2.gz HRFHNNFAKVDVID-NSHDSACASA-N 2 2 254.378 -0.380 20 0 CBADLP CC[C@@H]1C[N@H+](CC(=O)N2CCOCC2)CC[C@@H]1[NH3+] ZINC000147509578 544464557 /nfs/dbraw/zinc/46/45/57/544464557.db2.gz BGVQMZSIAINUKG-NEPJUHHUSA-N 2 2 255.362 -0.096 20 0 CBADLP CC[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)CC[C@@H]1[NH3+] ZINC000147509578 544464560 /nfs/dbraw/zinc/46/45/60/544464560.db2.gz BGVQMZSIAINUKG-NEPJUHHUSA-N 2 2 255.362 -0.096 20 0 CBADLP CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(=O)NC)CC[C@@H]1[NH3+] ZINC000147439440 544464900 /nfs/dbraw/zinc/46/49/00/544464900.db2.gz HLZIYDUVKKHVLG-AEJSXWLSSA-N 2 2 256.350 -0.110 20 0 CBADLP CC[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(=O)NC)CC[C@@H]1[NH3+] ZINC000147439440 544464902 /nfs/dbraw/zinc/46/49/02/544464902.db2.gz HLZIYDUVKKHVLG-AEJSXWLSSA-N 2 2 256.350 -0.110 20 0 CBADLP Cn1cc(CC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cn1 ZINC000162275701 544477130 /nfs/dbraw/zinc/47/71/30/544477130.db2.gz JDNVSELPIQVLKA-NSHDSACASA-N 2 2 251.334 -0.936 20 0 CBADLP Cn1cc(CC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cn1 ZINC000162275701 544477133 /nfs/dbraw/zinc/47/71/33/544477133.db2.gz JDNVSELPIQVLKA-NSHDSACASA-N 2 2 251.334 -0.936 20 0 CBADLP CN(C)c1[nH+]cccc1CNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000164941627 544477888 /nfs/dbraw/zinc/47/78/88/544477888.db2.gz KTCKZWPAKBPXLH-NSHDSACASA-N 2 2 264.329 -0.248 20 0 CBADLP O=C(C[NH+]1CCN(C(=O)C[NH2+]C2CC2)CC1)N1CCCC1 ZINC000176315899 544480616 /nfs/dbraw/zinc/48/06/16/544480616.db2.gz GSFBBNKEHADOFM-UHFFFAOYSA-N 2 2 294.399 -0.495 20 0 CBADLP C[C@H]1C[C@@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)CCO1 ZINC000223053778 544491126 /nfs/dbraw/zinc/49/11/26/544491126.db2.gz DRCXEOMPAPRINR-RYUDHWBXSA-N 2 2 255.362 -0.083 20 0 CBADLP CCC[NH+]1CCC(N(C)C(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000236774289 544507290 /nfs/dbraw/zinc/50/72/90/544507290.db2.gz OAXVKZHHVYFANU-UHFFFAOYSA-N 2 2 296.415 -0.249 20 0 CBADLP CC(=O)N[C@@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000310909186 544529181 /nfs/dbraw/zinc/52/91/81/544529181.db2.gz QLMUWIFSBLZGBP-OLZOCXBDSA-N 2 2 257.378 -0.102 20 0 CBADLP CC(=O)N[C@@H]1CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C1 ZINC000310909186 544529186 /nfs/dbraw/zinc/52/91/86/544529186.db2.gz QLMUWIFSBLZGBP-OLZOCXBDSA-N 2 2 257.378 -0.102 20 0 CBADLP CC(=O)N[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000310909186 544529188 /nfs/dbraw/zinc/52/91/88/544529188.db2.gz QLMUWIFSBLZGBP-OLZOCXBDSA-N 2 2 257.378 -0.102 20 0 CBADLP CC(=O)N[C@@H]1CC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000310909186 544529191 /nfs/dbraw/zinc/52/91/91/544529191.db2.gz QLMUWIFSBLZGBP-OLZOCXBDSA-N 2 2 257.378 -0.102 20 0 CBADLP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCc1[nH+]ccn1C ZINC000343006633 544554057 /nfs/dbraw/zinc/55/40/57/544554057.db2.gz FPHZPWUYCVWSPF-LLVKDONJSA-N 2 2 295.387 -0.117 20 0 CBADLP CCN1OC[C@H]([N@H+](C)CCCN(C)CC[NH+](C)C)C1=O ZINC000660558612 419409627 /nfs/dbraw/zinc/40/96/27/419409627.db2.gz DQKXWUALGFOKHB-ZDUSSCGKSA-N 2 2 286.420 -0.036 20 0 CBADLP CCN1OC[C@H]([N@@H+](C)CCCN(C)CC[NH+](C)C)C1=O ZINC000660558612 419409633 /nfs/dbraw/zinc/40/96/33/419409633.db2.gz DQKXWUALGFOKHB-ZDUSSCGKSA-N 2 2 286.420 -0.036 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)CN1CCn2c[nH+]cc2C1 ZINC000660583915 419412737 /nfs/dbraw/zinc/41/27/37/419412737.db2.gz OHAQWGDDUKCZQP-CYBMUJFWSA-N 2 2 268.361 -0.362 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)CN1CCn2c[nH+]cc2C1 ZINC000660583915 419412746 /nfs/dbraw/zinc/41/27/46/419412746.db2.gz OHAQWGDDUKCZQP-CYBMUJFWSA-N 2 2 268.361 -0.362 20 0 CBADLP Cc1nc(N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)nc(N)[nH+]1 ZINC000631314826 419477302 /nfs/dbraw/zinc/47/73/02/419477302.db2.gz SSGMAKQBJADWFN-DTWKUNHWSA-N 2 2 266.349 -0.346 20 0 CBADLP Cc1nc(N2C[C@H](C)[N@H+](CCO)C[C@H]2C)nc(N)[nH+]1 ZINC000631314826 419477308 /nfs/dbraw/zinc/47/73/08/419477308.db2.gz SSGMAKQBJADWFN-DTWKUNHWSA-N 2 2 266.349 -0.346 20 0 CBADLP Cc1nc(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)nc(N)[nH+]1 ZINC000631372106 419487292 /nfs/dbraw/zinc/48/72/92/419487292.db2.gz HNRIVQRXMSBDCW-NSHDSACASA-N 2 2 278.360 -0.202 20 0 CBADLP Cc1nc(N2CCC([N@H+]3CC[C@H](O)C3)CC2)nc(N)[nH+]1 ZINC000631372106 419487299 /nfs/dbraw/zinc/48/72/99/419487299.db2.gz HNRIVQRXMSBDCW-NSHDSACASA-N 2 2 278.360 -0.202 20 0 CBADLP Cc1nc(N)nc(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)[nH+]1 ZINC000631372106 419487305 /nfs/dbraw/zinc/48/73/05/419487305.db2.gz HNRIVQRXMSBDCW-NSHDSACASA-N 2 2 278.360 -0.202 20 0 CBADLP Cc1nc(N)nc(N2CCC([N@H+]3CC[C@H](O)C3)CC2)[nH+]1 ZINC000631372106 419487309 /nfs/dbraw/zinc/48/73/09/419487309.db2.gz HNRIVQRXMSBDCW-NSHDSACASA-N 2 2 278.360 -0.202 20 0 CBADLP C[C@@H]([NH3+])[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CCO1 ZINC000122779206 419490585 /nfs/dbraw/zinc/49/05/85/419490585.db2.gz DTDSUKVYVKYZFR-MNOVXSKESA-N 2 2 252.318 -0.152 20 0 CBADLP Cc1[nH+]ccn1CC[N@@H+]1CCOC[C@H]1CC(N)=O ZINC000660762594 419437185 /nfs/dbraw/zinc/43/71/85/419437185.db2.gz NFYXJEOHPHIRLP-LLVKDONJSA-N 2 2 252.318 -0.232 20 0 CBADLP Cc1[nH+]ccn1CC[N@H+]1CCOC[C@H]1CC(N)=O ZINC000660762594 419437190 /nfs/dbraw/zinc/43/71/90/419437190.db2.gz NFYXJEOHPHIRLP-LLVKDONJSA-N 2 2 252.318 -0.232 20 0 CBADLP CO[C@@H](C[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1)[C@@H]1CCOC1 ZINC000660912752 419457878 /nfs/dbraw/zinc/45/78/78/419457878.db2.gz PFDAJVHFLGJIEW-KGLIPLIRSA-N 2 2 299.415 -0.256 20 0 CBADLP CO[C@@H](C[N@H+]1CCN(CC[NH+](C)C)C(=O)C1)[C@@H]1CCOC1 ZINC000660912752 419457884 /nfs/dbraw/zinc/45/78/84/419457884.db2.gz PFDAJVHFLGJIEW-KGLIPLIRSA-N 2 2 299.415 -0.256 20 0 CBADLP CN1CC[N@H+](C)[C@@H](CNC(=O)CCC(C)(C)[NH3+])C1 ZINC000070088567 419462175 /nfs/dbraw/zinc/46/21/75/419462175.db2.gz RYMJIRXSDDWGNK-NSHDSACASA-N 2 2 256.394 -0.134 20 0 CBADLP CN1CC[N@@H+](C)[C@@H](CNC(=O)CCC(C)(C)[NH3+])C1 ZINC000070088567 419462181 /nfs/dbraw/zinc/46/21/81/419462181.db2.gz RYMJIRXSDDWGNK-NSHDSACASA-N 2 2 256.394 -0.134 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](Cn2ccnn2)C1 ZINC000661143614 419471150 /nfs/dbraw/zinc/47/11/50/419471150.db2.gz UZNUSLSSFHQODT-ZIAGYGMSSA-N 2 2 297.403 -0.461 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](Cn2ccnn2)C1 ZINC000661143614 419471160 /nfs/dbraw/zinc/47/11/60/419471160.db2.gz UZNUSLSSFHQODT-ZIAGYGMSSA-N 2 2 297.403 -0.461 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000661143614 419471166 /nfs/dbraw/zinc/47/11/66/419471166.db2.gz UZNUSLSSFHQODT-ZIAGYGMSSA-N 2 2 297.403 -0.461 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000661143614 419471172 /nfs/dbraw/zinc/47/11/72/419471172.db2.gz UZNUSLSSFHQODT-ZIAGYGMSSA-N 2 2 297.403 -0.461 20 0 CBADLP Cc1nc(NC[C@@H](C(C)C)[NH+]2CCOCC2)nc(N)[nH+]1 ZINC000631050180 419471607 /nfs/dbraw/zinc/47/16/07/419471607.db2.gz RAROWEAAEQWFJC-NSHDSACASA-N 2 2 280.376 -0.047 20 0 CBADLP Cc1nc(NC[C@H](C)N2CC[NH+](C)CC2)nc(N)[nH+]1 ZINC000631095738 419474547 /nfs/dbraw/zinc/47/45/47/419474547.db2.gz MQNPWWFKWJNFCF-VIFPVBQESA-N 2 2 265.365 -0.768 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@]3(O)C[C@H]3C2)CC1 ZINC000661713551 419520431 /nfs/dbraw/zinc/52/04/31/419520431.db2.gz PMLAVGDUXNZPKO-KCQAQPDRSA-N 2 2 281.400 -0.004 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@]3(O)C[C@H]3C2)CC1 ZINC000661713551 419520439 /nfs/dbraw/zinc/52/04/39/419520439.db2.gz PMLAVGDUXNZPKO-KCQAQPDRSA-N 2 2 281.400 -0.004 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H]3COC[C@]3(C)C2)CC1 ZINC000661702541 419520741 /nfs/dbraw/zinc/52/07/41/419520741.db2.gz QIKBNGXVIWWVTQ-OCCSQVGLSA-N 2 2 267.373 -0.271 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2C[C@@H]3COC[C@]3(C)C2)CC1 ZINC000661702541 419520745 /nfs/dbraw/zinc/52/07/45/419520745.db2.gz QIKBNGXVIWWVTQ-OCCSQVGLSA-N 2 2 267.373 -0.271 20 0 CBADLP CSC[C@H](O)C[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000187738673 419523313 /nfs/dbraw/zinc/52/33/13/419523313.db2.gz JVDRMYZUZWNAHQ-LLVKDONJSA-N 2 2 275.418 -0.584 20 0 CBADLP CC[NH+](CC)CC(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000187302161 419524440 /nfs/dbraw/zinc/52/44/40/419524440.db2.gz DPUWCVYDJFYYMY-GFCCVEGCSA-N 2 2 257.378 -0.147 20 0 CBADLP CC[NH+](CC)CC(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000187302161 419524451 /nfs/dbraw/zinc/52/44/51/419524451.db2.gz DPUWCVYDJFYYMY-GFCCVEGCSA-N 2 2 257.378 -0.147 20 0 CBADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC(=O)N(C)CC1 ZINC000661805972 419527560 /nfs/dbraw/zinc/52/75/60/419527560.db2.gz VNPGQQZLXSMYLS-GFCCVEGCSA-N 2 2 257.378 -0.148 20 0 CBADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(=O)N(C)CC1 ZINC000661805972 419527564 /nfs/dbraw/zinc/52/75/64/419527564.db2.gz VNPGQQZLXSMYLS-GFCCVEGCSA-N 2 2 257.378 -0.148 20 0 CBADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC(=O)N(C)CC1 ZINC000661805972 419527574 /nfs/dbraw/zinc/52/75/74/419527574.db2.gz VNPGQQZLXSMYLS-GFCCVEGCSA-N 2 2 257.378 -0.148 20 0 CBADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC(=O)N(C)CC1 ZINC000661805972 419527582 /nfs/dbraw/zinc/52/75/82/419527582.db2.gz VNPGQQZLXSMYLS-GFCCVEGCSA-N 2 2 257.378 -0.148 20 0 CBADLP Cc1cc(NCCNC(=O)C[NH3+])nc(C(C)C)[nH+]1 ZINC000638583470 419531455 /nfs/dbraw/zinc/53/14/55/419531455.db2.gz KQGDNGFLCBNASF-UHFFFAOYSA-N 2 2 251.334 0.395 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](c2nnc(N)o2)C1 ZINC000639820936 419535771 /nfs/dbraw/zinc/53/57/71/419535771.db2.gz FQEOAGJZKFRXEF-GHMZBOCLSA-N 2 2 283.376 0.144 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](c2nnc(N)o2)C1 ZINC000639820936 419535778 /nfs/dbraw/zinc/53/57/78/419535778.db2.gz FQEOAGJZKFRXEF-GHMZBOCLSA-N 2 2 283.376 0.144 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](c2nnc(N)o2)C1 ZINC000639820936 419535782 /nfs/dbraw/zinc/53/57/82/419535782.db2.gz FQEOAGJZKFRXEF-GHMZBOCLSA-N 2 2 283.376 0.144 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](c2nnc(N)o2)C1 ZINC000639820936 419535788 /nfs/dbraw/zinc/53/57/88/419535788.db2.gz FQEOAGJZKFRXEF-GHMZBOCLSA-N 2 2 283.376 0.144 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H]2COC[C@H]2C1 ZINC000662037021 419542723 /nfs/dbraw/zinc/54/27/23/419542723.db2.gz TWKBHAFOYWCMOW-MJBXVCDLSA-N 2 2 272.389 -0.106 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H]2COC[C@H]2C1 ZINC000662037021 419542730 /nfs/dbraw/zinc/54/27/30/419542730.db2.gz TWKBHAFOYWCMOW-MJBXVCDLSA-N 2 2 272.389 -0.106 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000662037021 419542736 /nfs/dbraw/zinc/54/27/36/419542736.db2.gz TWKBHAFOYWCMOW-MJBXVCDLSA-N 2 2 272.389 -0.106 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H]2COC[C@H]2C1 ZINC000662037021 419542742 /nfs/dbraw/zinc/54/27/42/419542742.db2.gz TWKBHAFOYWCMOW-MJBXVCDLSA-N 2 2 272.389 -0.106 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NCCn1cc[nH+]c1 ZINC000193207187 419544619 /nfs/dbraw/zinc/54/46/19/419544619.db2.gz DTDZLMUUWYKRQG-LBPRGKRZSA-N 2 2 281.360 -0.097 20 0 CBADLP C[NH+]1CCN(Cc2cn(Cc3cc[nH+]c(N)c3)nn2)CC1 ZINC000641069101 419547180 /nfs/dbraw/zinc/54/71/80/419547180.db2.gz WYYAQWFHWGZCJM-UHFFFAOYSA-N 2 2 287.371 0.051 20 0 CBADLP C([C@H]1CCC[N@@H+]1C[C@@H]1C[NH2+]CCO1)N1CCOCC1 ZINC000662261453 419568229 /nfs/dbraw/zinc/56/82/29/419568229.db2.gz YYOYBGQCNSDNPZ-KGLIPLIRSA-N 2 2 269.389 -0.229 20 0 CBADLP C([C@H]1CCC[N@H+]1C[C@@H]1C[NH2+]CCO1)N1CCOCC1 ZINC000662261453 419568236 /nfs/dbraw/zinc/56/82/36/419568236.db2.gz YYOYBGQCNSDNPZ-KGLIPLIRSA-N 2 2 269.389 -0.229 20 0 CBADLP C([C@H]1CCCN1C[C@@H]1C[NH2+]CCO1)[NH+]1CCOCC1 ZINC000662261453 419568243 /nfs/dbraw/zinc/56/82/43/419568243.db2.gz YYOYBGQCNSDNPZ-KGLIPLIRSA-N 2 2 269.389 -0.229 20 0 CBADLP C[C@H](C(=O)N(C)C)[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662157886 419548926 /nfs/dbraw/zinc/54/89/26/419548926.db2.gz SQRCIQQJWYPWQB-YPMHNXCESA-N 2 2 269.389 -0.006 20 0 CBADLP C[C@H](C(=O)N(C)C)[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662157886 419548935 /nfs/dbraw/zinc/54/89/35/419548935.db2.gz SQRCIQQJWYPWQB-YPMHNXCESA-N 2 2 269.389 -0.006 20 0 CBADLP C[C@@H]([NH3+])CNC(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000194842949 419555762 /nfs/dbraw/zinc/55/57/62/419555762.db2.gz NBHLOYSCUSDBLZ-GFCCVEGCSA-N 2 2 277.372 -0.333 20 0 CBADLP O=C([C@H]1CCC[N@H+](C[C@@H]2C[NH2+]CCO2)C1)N1CC[NH2+]CC1 ZINC000662243510 419559254 /nfs/dbraw/zinc/55/92/54/419559254.db2.gz MKUZDCKRDNITRL-KBPBESRZSA-N 3 2 296.415 -0.881 20 0 CBADLP O=C([C@H]1CCC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1)N1CC[NH2+]CC1 ZINC000662243510 419559261 /nfs/dbraw/zinc/55/92/61/419559261.db2.gz MKUZDCKRDNITRL-KBPBESRZSA-N 3 2 296.415 -0.881 20 0 CBADLP CCC[N@@H+]1CC[C@@H](NC[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000389556244 544577598 /nfs/dbraw/zinc/57/75/98/544577598.db2.gz RPLCUFAKTBGHCT-ZIAGYGMSSA-N 2 2 271.405 -0.247 20 0 CBADLP CCC[N@H+]1CC[C@@H](NC[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000389556244 544577601 /nfs/dbraw/zinc/57/76/01/544577601.db2.gz RPLCUFAKTBGHCT-ZIAGYGMSSA-N 2 2 271.405 -0.247 20 0 CBADLP O=C1NCCN1[C@H]1CCC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662254934 419562147 /nfs/dbraw/zinc/56/21/47/419562147.db2.gz VARLNJSMFMNEPV-RYUDHWBXSA-N 2 2 268.361 -0.536 20 0 CBADLP O=C1NCCN1[C@H]1CCC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662254934 419562150 /nfs/dbraw/zinc/56/21/50/419562150.db2.gz VARLNJSMFMNEPV-RYUDHWBXSA-N 2 2 268.361 -0.536 20 0 CBADLP CS(=O)(=O)N1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662248396 419562533 /nfs/dbraw/zinc/56/25/33/419562533.db2.gz ANTDDSWJPYUFME-LLVKDONJSA-N 2 2 289.401 -0.915 20 0 CBADLP CCC(=O)N[C@@H]1CCC[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662252973 419562710 /nfs/dbraw/zinc/56/27/10/419562710.db2.gz FCRQROYXGYNUBS-VXGBXAGGSA-N 2 2 255.362 -0.035 20 0 CBADLP CCC(=O)N[C@@H]1CCC[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662252973 419562712 /nfs/dbraw/zinc/56/27/12/419562712.db2.gz FCRQROYXGYNUBS-VXGBXAGGSA-N 2 2 255.362 -0.035 20 0 CBADLP CN(C)C(=O)N1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662251032 419562925 /nfs/dbraw/zinc/56/29/25/419562925.db2.gz WHPLMNHCBSVQFA-LBPRGKRZSA-N 2 2 282.388 -0.193 20 0 CBADLP CC(C)(CO)N1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662263555 419565593 /nfs/dbraw/zinc/56/55/93/419565593.db2.gz MZRPMFMDOZCQJI-ZDUSSCGKSA-N 2 2 283.416 -0.104 20 0 CBADLP CCN(CC)C(=O)C[NH+]1CCN(C[C@@H]2C[NH2+]CCO2)CC1 ZINC000662261216 419566111 /nfs/dbraw/zinc/56/61/11/419566111.db2.gz UZWPCWQVQPNMDQ-AWEZNQCLSA-N 2 2 298.431 -0.539 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000661596648 419502085 /nfs/dbraw/zinc/50/20/85/419502085.db2.gz KALCVFJHBSTBPT-HZSPNIEDSA-N 2 2 299.415 -0.474 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000661596648 419502091 /nfs/dbraw/zinc/50/20/91/419502091.db2.gz KALCVFJHBSTBPT-HZSPNIEDSA-N 2 2 299.415 -0.474 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000661596648 419502099 /nfs/dbraw/zinc/50/20/99/419502099.db2.gz KALCVFJHBSTBPT-HZSPNIEDSA-N 2 2 299.415 -0.474 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000661596648 419502107 /nfs/dbraw/zinc/50/21/07/419502107.db2.gz KALCVFJHBSTBPT-HZSPNIEDSA-N 2 2 299.415 -0.474 20 0 CBADLP COCC[NH2+]CC(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000178862016 419504648 /nfs/dbraw/zinc/50/46/48/419504648.db2.gz OWPVMUYLNWODFK-CHWSQXEVSA-N 2 2 285.388 -0.599 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000661596651 419505393 /nfs/dbraw/zinc/50/53/93/419505393.db2.gz KALCVFJHBSTBPT-RDBSUJKOSA-N 2 2 299.415 -0.474 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000661596651 419505399 /nfs/dbraw/zinc/50/53/99/419505399.db2.gz KALCVFJHBSTBPT-RDBSUJKOSA-N 2 2 299.415 -0.474 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000661596651 419505403 /nfs/dbraw/zinc/50/54/03/419505403.db2.gz KALCVFJHBSTBPT-RDBSUJKOSA-N 2 2 299.415 -0.474 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000661596651 419505408 /nfs/dbraw/zinc/50/54/08/419505408.db2.gz KALCVFJHBSTBPT-RDBSUJKOSA-N 2 2 299.415 -0.474 20 0 CBADLP C[C@H]1C[NH+](CC(=O)N2CC[NH+](C)CC2)C[C@H](C)C1O ZINC000661626278 419511207 /nfs/dbraw/zinc/51/12/07/419511207.db2.gz VXHCGTYVFLUPGC-RYUDHWBXSA-N 2 2 269.389 -0.291 20 0 CBADLP O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)[C@@H]1CSC[NH2+]1 ZINC000394374413 544579492 /nfs/dbraw/zinc/57/94/92/544579492.db2.gz UKRUBIWJNVGFAB-MNOVXSKESA-N 2 2 270.402 -0.845 20 0 CBADLP O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)[C@@H]1CSC[NH2+]1 ZINC000394374413 544579497 /nfs/dbraw/zinc/57/94/97/544579497.db2.gz UKRUBIWJNVGFAB-MNOVXSKESA-N 2 2 270.402 -0.845 20 0 CBADLP C[NH+](C)CC[C@H](NC(=O)CN1CC[NH2+]CC1=O)C(C)(C)C ZINC000236986237 419572886 /nfs/dbraw/zinc/57/28/86/419572886.db2.gz GLIGVFDYZQJSDN-LBPRGKRZSA-N 2 2 298.431 -0.099 20 0 CBADLP [NH3+]CCCCC(=O)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000394381425 544580588 /nfs/dbraw/zinc/58/05/88/544580588.db2.gz MAYCGBBTMVEUED-LBPRGKRZSA-N 2 2 254.378 -0.379 20 0 CBADLP [NH3+]CCCCC(=O)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000394381425 544580597 /nfs/dbraw/zinc/58/05/97/544580597.db2.gz MAYCGBBTMVEUED-LBPRGKRZSA-N 2 2 254.378 -0.379 20 0 CBADLP CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662285285 419575380 /nfs/dbraw/zinc/57/53/80/419575380.db2.gz ITBJDNQMNWFFPH-ONGXEEELSA-N 2 2 295.305 -0.025 20 0 CBADLP O=C(C[C@@H]1CCC[NH2+]1)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000394384397 544580972 /nfs/dbraw/zinc/58/09/72/544580972.db2.gz JCWJRBQURFFMLA-QWHCGFSZSA-N 2 2 266.389 -0.365 20 0 CBADLP O=C1[C@@H]([NH2+]C2(CO)CC[NH2+]CC2)CCN1CC(F)(F)F ZINC000662286742 419576877 /nfs/dbraw/zinc/57/68/77/419576877.db2.gz KPOPHBRZPRIFBG-VIFPVBQESA-N 2 2 295.305 -0.146 20 0 CBADLP O=C(C[C@@H]1CCC[NH2+]1)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000394384397 544580974 /nfs/dbraw/zinc/58/09/74/544580974.db2.gz JCWJRBQURFFMLA-QWHCGFSZSA-N 2 2 266.389 -0.365 20 0 CBADLP [NH3+]CCN(Cc1ccc(-n2cc[nH+]c2)cc1)C[C@H](O)CO ZINC000662287801 419577222 /nfs/dbraw/zinc/57/72/22/419577222.db2.gz JVQJRURLFNGFCX-HNNXBMFYSA-N 2 2 290.367 -0.014 20 0 CBADLP O=C(C[C@H]1CSCC[NH2+]1)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000394381429 544581148 /nfs/dbraw/zinc/58/11/48/544581148.db2.gz RTENYEQVCAVWAB-STQMWFEESA-N 2 2 298.456 -0.412 20 0 CBADLP O=C(C[C@H]1CSCC[NH2+]1)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000394381429 544581151 /nfs/dbraw/zinc/58/11/51/544581151.db2.gz RTENYEQVCAVWAB-STQMWFEESA-N 2 2 298.456 -0.412 20 0 CBADLP [NH3+]CC12CC(C1)C[N@@H+]2CCC(=O)N1CC[NH2+]CC1 ZINC000662304402 419579864 /nfs/dbraw/zinc/57/98/64/419579864.db2.gz RFUMBVFJWNQLBQ-UHFFFAOYSA-N 3 2 252.362 -0.769 20 0 CBADLP [NH3+]CC12CC(C1)C[N@H+]2CCC(=O)N1CC[NH2+]CC1 ZINC000662304402 419579871 /nfs/dbraw/zinc/57/98/71/419579871.db2.gz RFUMBVFJWNQLBQ-UHFFFAOYSA-N 3 2 252.362 -0.769 20 0 CBADLP CN(C)C(=O)N(C)[C@@H]1CC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662314713 419585971 /nfs/dbraw/zinc/58/59/71/419585971.db2.gz BDVAKCXBVIEMIG-NEPJUHHUSA-N 2 2 270.377 -0.338 20 0 CBADLP CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662314713 419585973 /nfs/dbraw/zinc/58/59/73/419585973.db2.gz BDVAKCXBVIEMIG-NEPJUHHUSA-N 2 2 270.377 -0.338 20 0 CBADLP [NH3+][C@@H]1C[N@H+](CCC(=O)N2CC[NH2+]CC2)CC[C@H]1F ZINC000662321824 419586527 /nfs/dbraw/zinc/58/65/27/419586527.db2.gz DTJHYQHSNPJWPJ-GHMZBOCLSA-N 3 2 258.341 -0.821 20 0 CBADLP [NH3+][C@@H]1C[N@@H+](CCC(=O)N2CC[NH2+]CC2)CC[C@H]1F ZINC000662321824 419586537 /nfs/dbraw/zinc/58/65/37/419586537.db2.gz DTJHYQHSNPJWPJ-GHMZBOCLSA-N 3 2 258.341 -0.821 20 0 CBADLP C[C@@]1(C[N@@H+]2CCC[C@@H](NS(C)(=O)=O)C2)CC[NH2+]C1 ZINC000647513835 419596774 /nfs/dbraw/zinc/59/67/74/419596774.db2.gz IRCKIIZITOACHE-VXGBXAGGSA-N 2 2 275.418 0.000 20 0 CBADLP C[C@@]1(C[N@H+]2CCC[C@@H](NS(C)(=O)=O)C2)CC[NH2+]C1 ZINC000647513835 419596778 /nfs/dbraw/zinc/59/67/78/419596778.db2.gz IRCKIIZITOACHE-VXGBXAGGSA-N 2 2 275.418 0.000 20 0 CBADLP C[C@]1(C[NH+]2CCC(NS(C)(=O)=O)CC2)CC[NH2+]C1 ZINC000647513540 419597853 /nfs/dbraw/zinc/59/78/53/419597853.db2.gz HCSKLRNDGQIQBK-LBPRGKRZSA-N 2 2 275.418 0.000 20 0 CBADLP CCNC(=O)NC(=O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261554961 419598039 /nfs/dbraw/zinc/59/80/39/419598039.db2.gz BDSKZBXEGRBTSL-NXEZZACHSA-N 2 2 254.334 -0.484 20 0 CBADLP CCNC(=O)NC(=O)C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261554961 419598051 /nfs/dbraw/zinc/59/80/51/419598051.db2.gz BDSKZBXEGRBTSL-NXEZZACHSA-N 2 2 254.334 -0.484 20 0 CBADLP CO[C@@H]1CC[C@H](C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])C1 ZINC000662427690 419601965 /nfs/dbraw/zinc/60/19/65/419601965.db2.gz APSWYFRXCYKZTC-SDDRHHMPSA-N 2 2 255.362 -0.097 20 0 CBADLP CO[C@@H]1CC[C@H](C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])C1 ZINC000662427690 419601969 /nfs/dbraw/zinc/60/19/69/419601969.db2.gz APSWYFRXCYKZTC-SDDRHHMPSA-N 2 2 255.362 -0.097 20 0 CBADLP COCCCOCCC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000662429664 419602908 /nfs/dbraw/zinc/60/29/08/419602908.db2.gz QPIBERYDANKGRM-LBPRGKRZSA-N 2 2 273.377 -0.469 20 0 CBADLP COCCCOCCC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000662429664 419602917 /nfs/dbraw/zinc/60/29/17/419602917.db2.gz QPIBERYDANKGRM-LBPRGKRZSA-N 2 2 273.377 -0.469 20 0 CBADLP C[C@H](O)C[NH+]1CCN(C(=O)N[C@@H](C)Cn2cc[nH+]c2)CC1 ZINC000287679450 419613242 /nfs/dbraw/zinc/61/32/42/419613242.db2.gz SOOHRYAGQQJFBD-STQMWFEESA-N 2 2 295.387 -0.020 20 0 CBADLP CC[C@H]([NH2+]C)C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000662481756 419618502 /nfs/dbraw/zinc/61/85/02/419618502.db2.gz BPJZRTHQHFMDIB-JTQLQIEISA-N 2 2 270.377 -0.608 20 0 CBADLP O=C(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)NC[C@H]1CCCO1 ZINC000312044315 419624954 /nfs/dbraw/zinc/62/49/54/419624954.db2.gz YAWGAEUKIJOALQ-FRRDWIJNSA-N 2 2 267.373 -0.177 20 0 CBADLP O=C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)NC[C@H]1CCCO1 ZINC000312044315 419624963 /nfs/dbraw/zinc/62/49/63/419624963.db2.gz YAWGAEUKIJOALQ-FRRDWIJNSA-N 2 2 267.373 -0.177 20 0 CBADLP C[C@@H](NC(=O)C[NH+](C)C)[C@H](C)NC(=O)C[NH+](C)C ZINC000647619569 419625688 /nfs/dbraw/zinc/62/56/88/419625688.db2.gz PSKORCLLYJCVII-AOOOYVTPSA-N 2 2 258.366 -0.881 20 0 CBADLP C[C@@H]1C[N@@H+](CCN2CC[NH+](CCO)CC2)C[C@H](C)O1 ZINC000314664294 419629124 /nfs/dbraw/zinc/62/91/24/419629124.db2.gz URNIYMGGGKUUIP-OKILXGFUSA-N 2 2 271.405 -0.295 20 0 CBADLP C[C@@H]1C[N@H+](CCN2CC[NH+](CCO)CC2)C[C@H](C)O1 ZINC000314664294 419629129 /nfs/dbraw/zinc/62/91/29/419629129.db2.gz URNIYMGGGKUUIP-OKILXGFUSA-N 2 2 271.405 -0.295 20 0 CBADLP C[NH+]1CCN(C(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)CC1 ZINC000662523964 419630105 /nfs/dbraw/zinc/63/01/05/419630105.db2.gz RYCUYWDUGMMGOZ-SNVBAGLBSA-N 2 2 263.345 -0.126 20 0 CBADLP O=C(CCn1cc[nH+]c1)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000647662376 419631612 /nfs/dbraw/zinc/63/16/12/419631612.db2.gz ZQGBTLFBTGUNPI-GFCCVEGCSA-N 2 2 282.344 -0.918 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)C[C@@H]2COCC[NH2+]2)[C@@H](C)CO1 ZINC000662633977 419660731 /nfs/dbraw/zinc/66/07/31/419660731.db2.gz PCKCHSZLQGBPSW-YNEHKIRRSA-N 2 2 285.388 -0.410 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)c2cn(CC[NH3+])nn2)[C@@H](C)CO1 ZINC000662635071 419664691 /nfs/dbraw/zinc/66/46/91/419664691.db2.gz UZNPRDOPBLMKBL-QWRGUYRKSA-N 2 2 296.375 -0.924 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)c2cn(CC[NH3+])nn2)[C@@H](C)CO1 ZINC000662635071 419664698 /nfs/dbraw/zinc/66/46/98/419664698.db2.gz UZNPRDOPBLMKBL-QWRGUYRKSA-N 2 2 296.375 -0.924 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCCO[C@H]1CC1(F)F ZINC000662644783 419666466 /nfs/dbraw/zinc/66/64/66/419666466.db2.gz DGSPOIACZPDGBI-BDAKNGLRSA-N 2 2 265.304 -0.194 20 0 CBADLP [NH3+][C@H](CC(F)F)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000662656995 419669189 /nfs/dbraw/zinc/66/91/89/419669189.db2.gz VXAGMOFXVKHHIH-VHSXEESVSA-N 2 2 277.315 -0.098 20 0 CBADLP C[C@H](NC(=O)C[N@H+](C)CCC[NH3+])C(=O)N1CCCCC1 ZINC000647848099 419670256 /nfs/dbraw/zinc/67/02/56/419670256.db2.gz DFAOKFATLFNYGF-LBPRGKRZSA-N 2 2 284.404 -0.216 20 0 CBADLP C[C@H](NC(=O)C[N@@H+](C)CCC[NH3+])C(=O)N1CCCCC1 ZINC000647848099 419670267 /nfs/dbraw/zinc/67/02/67/419670267.db2.gz DFAOKFATLFNYGF-LBPRGKRZSA-N 2 2 284.404 -0.216 20 0 CBADLP COCCCS(=O)(=O)NCC[N@H+](C)CCC[NH3+] ZINC000647848600 419670340 /nfs/dbraw/zinc/67/03/40/419670340.db2.gz XRNWKXZIFKHVRH-UHFFFAOYSA-N 2 2 267.395 -0.777 20 0 CBADLP COCCCS(=O)(=O)NCC[N@@H+](C)CCC[NH3+] ZINC000647848600 419670345 /nfs/dbraw/zinc/67/03/45/419670345.db2.gz XRNWKXZIFKHVRH-UHFFFAOYSA-N 2 2 267.395 -0.777 20 0 CBADLP C[C@H]([NH3+])[C@@H]1C[N@H+](CCC(=O)N2CCOCC2)CCO1 ZINC000647863021 419672776 /nfs/dbraw/zinc/67/27/76/419672776.db2.gz WSPPBDKXFMAYMN-RYUDHWBXSA-N 2 2 271.361 -0.717 20 0 CBADLP C[C@H]([NH3+])[C@@H]1C[N@@H+](CCC(=O)N2CCOCC2)CCO1 ZINC000647863021 419672782 /nfs/dbraw/zinc/67/27/82/419672782.db2.gz WSPPBDKXFMAYMN-RYUDHWBXSA-N 2 2 271.361 -0.717 20 0 CBADLP CC(C)(CNC(=O)[C@H]1CCO[C@@H]1C[NH3+])[NH+]1CCOCC1 ZINC000662661400 419673347 /nfs/dbraw/zinc/67/33/47/419673347.db2.gz BNTMOSFPMQITMQ-NWDGAFQWSA-N 2 2 285.388 -0.423 20 0 CBADLP CC(C)(CNC(=O)[C@H]1CCO[C@H]1C[NH3+])[NH+]1CCOCC1 ZINC000662661401 419674086 /nfs/dbraw/zinc/67/40/86/419674086.db2.gz BNTMOSFPMQITMQ-RYUDHWBXSA-N 2 2 285.388 -0.423 20 0 CBADLP Cc1[nH+]c2ccccc2n1CCNC(=O)C1(O)C[NH2+]C1 ZINC000662672326 419678367 /nfs/dbraw/zinc/67/83/67/419678367.db2.gz SFYPHKXPRSIHOG-UHFFFAOYSA-N 2 2 274.324 -0.205 20 0 CBADLP O=C(N1CC[NH+](Cc2ccsc2)CC1)C1(O)C[NH2+]C1 ZINC000662669654 419679037 /nfs/dbraw/zinc/67/90/37/419679037.db2.gz QXKUQVGUYPAIJQ-UHFFFAOYSA-N 2 2 281.381 -0.273 20 0 CBADLP C[N@H+]1CCN(C(=O)[C@@H]2CCCc3n[nH]cc32)[C@H](C[NH3+])C1 ZINC000647873513 419680007 /nfs/dbraw/zinc/68/00/07/419680007.db2.gz UYDHXLGDBPGIJB-GHMZBOCLSA-N 2 2 277.372 -0.069 20 0 CBADLP C[N@H+]1CCN(C(=O)[C@H]2CCc3ncncc3C2)[C@H](C[NH3+])C1 ZINC000647874199 419681422 /nfs/dbraw/zinc/68/14/22/419681422.db2.gz GUZYHLPWXAANBD-WCQYABFASA-N 2 2 289.383 -0.317 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000662685321 419681825 /nfs/dbraw/zinc/68/18/25/419681825.db2.gz BJILDSSKHISYIQ-GMTAPVOTSA-N 2 2 252.318 -0.248 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000662681092 419682249 /nfs/dbraw/zinc/68/22/49/419682249.db2.gz UCTGATXJUSFTBG-HAQNSBGRSA-N 2 2 268.361 -0.996 20 0 CBADLP CS(=O)(=O)N[C@@H]1CCC[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647877260 419683960 /nfs/dbraw/zinc/68/39/60/419683960.db2.gz MNFIOHPTXCAINV-GHMZBOCLSA-N 2 2 261.391 -0.391 20 0 CBADLP CS(=O)(=O)N[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647877260 419683969 /nfs/dbraw/zinc/68/39/69/419683969.db2.gz MNFIOHPTXCAINV-GHMZBOCLSA-N 2 2 261.391 -0.391 20 0 CBADLP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)CN1CC[NH2+]CC1=O ZINC000662693249 419685969 /nfs/dbraw/zinc/68/59/69/419685969.db2.gz HXDHJDNQRFGYJJ-CYBMUJFWSA-N 2 2 296.415 -0.345 20 0 CBADLP O=C(C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)N1CCNC(=O)C1 ZINC000647901704 419687756 /nfs/dbraw/zinc/68/77/56/419687756.db2.gz UEHVEJGEHBRAEM-CHWSQXEVSA-N 2 2 294.399 -0.591 20 0 CBADLP O=C(C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)N1CCNC(=O)C1 ZINC000647901704 419687759 /nfs/dbraw/zinc/68/77/59/419687759.db2.gz UEHVEJGEHBRAEM-CHWSQXEVSA-N 2 2 294.399 -0.591 20 0 CBADLP CCN1C(=O)[C@@H]2C[N@H+](CCC[NH2+]C)CCN2C1=O ZINC000647891523 419687838 /nfs/dbraw/zinc/68/78/38/419687838.db2.gz LXCRIPMOAPMNRF-JTQLQIEISA-N 2 2 254.334 -0.436 20 0 CBADLP CCN1C(=O)[C@@H]2C[N@@H+](CCC[NH2+]C)CCN2C1=O ZINC000647891523 419687843 /nfs/dbraw/zinc/68/78/43/419687843.db2.gz LXCRIPMOAPMNRF-JTQLQIEISA-N 2 2 254.334 -0.436 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CCO[C@H]2C[NH3+])CCO1 ZINC000662701188 419690242 /nfs/dbraw/zinc/69/02/42/419690242.db2.gz MRMJRXVPGGMJGH-UTUOFQBUSA-N 2 2 271.361 -0.813 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2CCO[C@H]2C[NH3+])CCO1 ZINC000662701188 419690246 /nfs/dbraw/zinc/69/02/46/419690246.db2.gz MRMJRXVPGGMJGH-UTUOFQBUSA-N 2 2 271.361 -0.813 20 0 CBADLP CC(=O)N[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)([NH3+])CC2)C1 ZINC000647925437 419692022 /nfs/dbraw/zinc/69/20/22/419692022.db2.gz IKPRYZFDPCFSFF-CYBMUJFWSA-N 2 2 296.415 -0.073 20 0 CBADLP CC[C@@H]1C[N@H+](CC(=O)NCC(=O)N2CCCC2)CC[C@H]1[NH3+] ZINC000647938024 419692869 /nfs/dbraw/zinc/69/28/69/419692869.db2.gz GQHRVKXRYIPAFO-CHWSQXEVSA-N 2 2 296.415 -0.216 20 0 CBADLP CC[C@@H]1C[N@@H+](CC(=O)NCC(=O)N2CCCC2)CC[C@H]1[NH3+] ZINC000647938024 419692879 /nfs/dbraw/zinc/69/28/79/419692879.db2.gz GQHRVKXRYIPAFO-CHWSQXEVSA-N 2 2 296.415 -0.216 20 0 CBADLP C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[NH+]1CCC(C)([NH3+])CC1 ZINC000647925299 419693155 /nfs/dbraw/zinc/69/31/55/419693155.db2.gz CGKQSPMTRAAVRN-NSHDSACASA-N 2 2 296.415 -0.075 20 0 CBADLP C[C@H](NC(=O)C[NH+]1CCC(C)([NH3+])CC1)C(=O)N(C)C ZINC000647925402 419693307 /nfs/dbraw/zinc/69/33/07/419693307.db2.gz HNUIDWHVBFRIOD-JTQLQIEISA-N 2 2 270.377 -0.608 20 0 CBADLP Cn1c(C[NH+]2CCC(C)([NH3+])CC2)cc(=O)n(C)c1=O ZINC000647925316 419693678 /nfs/dbraw/zinc/69/36/78/419693678.db2.gz CVUJCYPYLITOFH-UHFFFAOYSA-N 2 2 266.345 -0.603 20 0 CBADLP CC1(C)C[N@H+](CCNC(=O)[C@H]2C[C@H]([NH3+])C2)CCO1 ZINC000662702020 419695748 /nfs/dbraw/zinc/69/57/48/419695748.db2.gz VEUJETIAUASTHP-XYPYZODXSA-N 2 2 255.362 -0.049 20 0 CBADLP CC1(C)C[N@@H+](CCNC(=O)[C@H]2C[C@H]([NH3+])C2)CCO1 ZINC000662702020 419695755 /nfs/dbraw/zinc/69/57/55/419695755.db2.gz VEUJETIAUASTHP-XYPYZODXSA-N 2 2 255.362 -0.049 20 0 CBADLP CC(C)OC[C@H]([NH3+])C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000662717825 419697043 /nfs/dbraw/zinc/69/70/43/419697043.db2.gz RIOLLABXRCFTJY-MELADBBJSA-N 2 2 299.415 -0.204 20 0 CBADLP O=C(NCCCCNc1cccc[nH+]1)C1(O)C[NH2+]C1 ZINC000662712935 419697220 /nfs/dbraw/zinc/69/72/20/419697220.db2.gz VYEGIQJQKNBHRQ-UHFFFAOYSA-N 2 2 264.329 -0.276 20 0 CBADLP CC(C)OC[C@H]([NH3+])C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000662717824 419697927 /nfs/dbraw/zinc/69/79/27/419697927.db2.gz RIOLLABXRCFTJY-IHRRRGAJSA-N 2 2 299.415 -0.204 20 0 CBADLP CCNS(=O)(=O)[C@H]1CC[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647990950 419704702 /nfs/dbraw/zinc/70/47/02/419704702.db2.gz YWESQPBFJBISKN-MNOVXSKESA-N 2 2 261.391 -0.391 20 0 CBADLP CCNS(=O)(=O)[C@H]1CC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647990950 419704707 /nfs/dbraw/zinc/70/47/07/419704707.db2.gz YWESQPBFJBISKN-MNOVXSKESA-N 2 2 261.391 -0.391 20 0 CBADLP C[N@H+](CCN1CCCS1(=O)=O)C[C@H]1CC[NH2+]C1 ZINC000647995404 419706821 /nfs/dbraw/zinc/70/68/21/419706821.db2.gz VPYRLSWZVFYNPT-NSHDSACASA-N 2 2 261.391 -0.437 20 0 CBADLP C[N@@H+](CCN1CCCS1(=O)=O)C[C@H]1CC[NH2+]C1 ZINC000647995404 419706828 /nfs/dbraw/zinc/70/68/28/419706828.db2.gz VPYRLSWZVFYNPT-NSHDSACASA-N 2 2 261.391 -0.437 20 0 CBADLP CC(C)Cn1cc[nH+]c1CNC(=O)C1(O)C[NH2+]C1 ZINC000662743709 419708182 /nfs/dbraw/zinc/70/81/82/419708182.db2.gz SYLSCWANJGSUIS-UHFFFAOYSA-N 2 2 252.318 -0.510 20 0 CBADLP CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)CN2CC[NH2+]CC2=O)C1 ZINC000662593152 419647366 /nfs/dbraw/zinc/64/73/66/419647366.db2.gz LPMKYAINJQJBKF-LBPRGKRZSA-N 2 2 296.415 -0.345 20 0 CBADLP CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)CN2CC[NH2+]CC2=O)C1 ZINC000662593152 419647374 /nfs/dbraw/zinc/64/73/74/419647374.db2.gz LPMKYAINJQJBKF-LBPRGKRZSA-N 2 2 296.415 -0.345 20 0 CBADLP COc1c(N)[nH+]cnc1N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000405351737 544588208 /nfs/dbraw/zinc/58/82/08/544588208.db2.gz ONLHPJLORLOZCF-DTWKUNHWSA-N 2 2 265.317 -0.677 20 0 CBADLP COc1c(N)[nH+]cnc1N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000405351737 544588213 /nfs/dbraw/zinc/58/82/13/544588213.db2.gz ONLHPJLORLOZCF-DTWKUNHWSA-N 2 2 265.317 -0.677 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@]23C[NH2+]C[C@H]2COC3)[C@@H](C)CO1 ZINC000662633473 419656897 /nfs/dbraw/zinc/65/68/97/419656897.db2.gz LBOCCGLLMHHXQF-XFMPKHEZSA-N 2 2 297.399 -0.552 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@]23C[NH2+]C[C@H]2COC3)[C@@H](C)CO1 ZINC000662633473 419656904 /nfs/dbraw/zinc/65/69/04/419656904.db2.gz LBOCCGLLMHHXQF-XFMPKHEZSA-N 2 2 297.399 -0.552 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)C[NH2+]C[C@H]2CCCO2)[C@H](C)CO1 ZINC000662632219 419657587 /nfs/dbraw/zinc/65/75/87/419657587.db2.gz YSOBTCBHZKNFNW-MGPQQGTHSA-N 2 2 299.415 -0.020 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)C[NH2+]C[C@H]2CCCO2)[C@H](C)CO1 ZINC000662632219 419657594 /nfs/dbraw/zinc/65/75/94/419657594.db2.gz YSOBTCBHZKNFNW-MGPQQGTHSA-N 2 2 299.415 -0.020 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)C[C@H]2COCC[NH2+]2)[C@H](C)CO1 ZINC000662633751 419657625 /nfs/dbraw/zinc/65/76/25/419657625.db2.gz PCKCHSZLQGBPSW-UPJWGTAASA-N 2 2 285.388 -0.410 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)C[C@H]2COCC[NH2+]2)[C@H](C)CO1 ZINC000662633751 419657632 /nfs/dbraw/zinc/65/76/32/419657632.db2.gz PCKCHSZLQGBPSW-UPJWGTAASA-N 2 2 285.388 -0.410 20 0 CBADLP CC[C@H]([NH2+]C)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000662630924 419658498 /nfs/dbraw/zinc/65/84/98/419658498.db2.gz IWFFDNQNJMLGSL-LBPRGKRZSA-N 3 2 258.410 -0.016 20 0 CBADLP CC[C@H]([NH2+]C)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000662630924 419658503 /nfs/dbraw/zinc/65/85/03/419658503.db2.gz IWFFDNQNJMLGSL-LBPRGKRZSA-N 3 2 258.410 -0.016 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)C[C@@H]2COCC[NH2+]2)[C@@H](C)CO1 ZINC000662633977 419660725 /nfs/dbraw/zinc/66/07/25/419660725.db2.gz PCKCHSZLQGBPSW-YNEHKIRRSA-N 2 2 285.388 -0.410 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)C(=O)NCc2[nH+]ccn2C)CCC[N@@H+]1C ZINC000342967113 419751738 /nfs/dbraw/zinc/75/17/38/419751738.db2.gz SMZRXMPWNWKHML-MNOVXSKESA-N 2 2 293.371 -0.365 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)C(=O)NCc2[nH+]ccn2C)CCC[N@H+]1C ZINC000342967113 419751747 /nfs/dbraw/zinc/75/17/47/419751747.db2.gz SMZRXMPWNWKHML-MNOVXSKESA-N 2 2 293.371 -0.365 20 0 CBADLP Cn1cc[nH+]c1CN1CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC1 ZINC000648152673 419759059 /nfs/dbraw/zinc/75/90/59/419759059.db2.gz VQBSYHOMSSGXJY-UPJWGTAASA-N 2 2 289.383 -0.185 20 0 CBADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)C2([NH3+])CCCC2)CC1 ZINC000648150309 419759734 /nfs/dbraw/zinc/75/97/34/419759734.db2.gz UGCJZJAASLQWHY-UHFFFAOYSA-N 2 2 296.415 -0.072 20 0 CBADLP CCNC(=O)C[N@H+]1CCCN(C(=O)C2([NH3+])CCCC2)CC1 ZINC000648150309 419759740 /nfs/dbraw/zinc/75/97/40/419759740.db2.gz UGCJZJAASLQWHY-UHFFFAOYSA-N 2 2 296.415 -0.072 20 0 CBADLP CC[C@H]1CN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)C[C@H]1[NH+]1CCOCC1 ZINC000648166040 419761588 /nfs/dbraw/zinc/76/15/88/419761588.db2.gz FMHUQBIFECKOII-IGQOVBAYSA-N 2 2 297.399 -0.722 20 0 CBADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000648158667 419763509 /nfs/dbraw/zinc/76/35/09/419763509.db2.gz OOXSQHOHTJFJNO-IJLUTSLNSA-N 2 2 276.340 -0.501 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000449348318 544595365 /nfs/dbraw/zinc/59/53/65/544595365.db2.gz SYOSVDVOCHAOAE-TUAOUCFPSA-N 2 2 255.362 -0.049 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000449348318 544595367 /nfs/dbraw/zinc/59/53/67/544595367.db2.gz SYOSVDVOCHAOAE-TUAOUCFPSA-N 2 2 255.362 -0.049 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C(=O)NCC[NH+](C)C ZINC000518396962 544602093 /nfs/dbraw/zinc/60/20/93/544602093.db2.gz KTQWBLNODAPWDS-JTQLQIEISA-N 2 2 281.360 -0.557 20 0 CBADLP Cc1[nH]c[nH+]c1CC(=O)N[C@@H](C)C(=O)NCC[NH+](C)C ZINC000518396962 544602095 /nfs/dbraw/zinc/60/20/95/544602095.db2.gz KTQWBLNODAPWDS-JTQLQIEISA-N 2 2 281.360 -0.557 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C ZINC000649069817 419831412 /nfs/dbraw/zinc/83/14/12/419831412.db2.gz AMOKVWUFUPSUFM-NSHDSACASA-N 2 2 293.371 -0.161 20 0 CBADLP C[C@H]1CCN(C(=O)C(=O)N(C)Cc2c[nH+]c[nH]2)C[C@@H]1C[NH3+] ZINC000662961050 419795734 /nfs/dbraw/zinc/79/57/34/419795734.db2.gz RLRKXBNDDAYVSE-QWRGUYRKSA-N 2 2 293.371 -0.189 20 0 CBADLP C[C@H]1CCN(C(=O)C(=O)N(C)Cc2c[nH]c[nH+]2)C[C@@H]1C[NH3+] ZINC000662961050 419795742 /nfs/dbraw/zinc/79/57/42/419795742.db2.gz RLRKXBNDDAYVSE-QWRGUYRKSA-N 2 2 293.371 -0.189 20 0 CBADLP C[NH2+]C[C@H](C)NC(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000662965300 419795760 /nfs/dbraw/zinc/79/57/60/419795760.db2.gz NVNSTAKLPULDHH-JTQLQIEISA-N 2 2 258.366 -0.833 20 0 CBADLP C[NH2+]C[C@H](C)NC(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000662965300 419795766 /nfs/dbraw/zinc/79/57/66/419795766.db2.gz NVNSTAKLPULDHH-JTQLQIEISA-N 2 2 258.366 -0.833 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)C[C@H]2CC[NH2+]C2)CCO1 ZINC000649312134 419874341 /nfs/dbraw/zinc/87/43/41/419874341.db2.gz SMDJMUKQCIWSPS-NWDGAFQWSA-N 2 2 255.362 -0.177 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)C[C@H]2CC[NH2+]C2)CCO1 ZINC000649312134 419874344 /nfs/dbraw/zinc/87/43/44/419874344.db2.gz SMDJMUKQCIWSPS-NWDGAFQWSA-N 2 2 255.362 -0.177 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)C[C@@H]2CC[NH2+]C2)CCO1 ZINC000649312133 419875476 /nfs/dbraw/zinc/87/54/76/419875476.db2.gz SMDJMUKQCIWSPS-NEPJUHHUSA-N 2 2 255.362 -0.177 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)C[C@@H]2CC[NH2+]C2)CCO1 ZINC000649312133 419875483 /nfs/dbraw/zinc/87/54/83/419875483.db2.gz SMDJMUKQCIWSPS-NEPJUHHUSA-N 2 2 255.362 -0.177 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)COC1(C)C[NH2+]C1 ZINC000649320601 419881176 /nfs/dbraw/zinc/88/11/76/419881176.db2.gz OUWVLISBAHMUJN-LLVKDONJSA-N 2 2 271.361 -0.798 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)COC1(C)C[NH2+]C1 ZINC000649320601 419881180 /nfs/dbraw/zinc/88/11/80/419881180.db2.gz OUWVLISBAHMUJN-LLVKDONJSA-N 2 2 271.361 -0.798 20 0 CBADLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649320630 419884525 /nfs/dbraw/zinc/88/45/25/419884525.db2.gz RGNJPIIKEPTOTP-UTUOFQBUSA-N 2 2 267.373 -0.036 20 0 CBADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649320630 419884527 /nfs/dbraw/zinc/88/45/27/419884527.db2.gz RGNJPIIKEPTOTP-UTUOFQBUSA-N 2 2 267.373 -0.036 20 0 CBADLP C[C@H](C[NH3+])C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000357259443 419887040 /nfs/dbraw/zinc/88/70/40/419887040.db2.gz UEDWZYWFLDVXEN-LLVKDONJSA-N 2 2 281.360 -0.251 20 0 CBADLP C[C@@H](NC(=O)[C@H]1CCC[NH2+]1)[C@H](C)[NH+]1CCOCC1 ZINC000649323299 419887150 /nfs/dbraw/zinc/88/71/50/419887150.db2.gz UGELVUFZPAXQPQ-GRYCIOLGSA-N 2 2 255.362 -0.036 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNc1nc[nH+]c2c1OCCN2 ZINC000664246226 419889378 /nfs/dbraw/zinc/88/93/78/419889378.db2.gz VFECAHJUOOLYRY-UHFFFAOYSA-N 3 2 294.403 -0.311 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNc1nc[nH+]c2c1OCCN2 ZINC000664246226 419889382 /nfs/dbraw/zinc/88/93/82/419889382.db2.gz VFECAHJUOOLYRY-UHFFFAOYSA-N 3 2 294.403 -0.311 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNc1ncnc2c1OCCN2 ZINC000664246226 419889388 /nfs/dbraw/zinc/88/93/88/419889388.db2.gz VFECAHJUOOLYRY-UHFFFAOYSA-N 2 2 294.403 -0.311 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNc1ncnc2c1OCCN2 ZINC000664246226 419889390 /nfs/dbraw/zinc/88/93/90/419889390.db2.gz VFECAHJUOOLYRY-UHFFFAOYSA-N 2 2 294.403 -0.311 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNc1nccn2nnnc12 ZINC000664248488 419891972 /nfs/dbraw/zinc/89/19/72/419891972.db2.gz YUKXAYLTJMYAMR-UHFFFAOYSA-N 2 2 278.364 -0.185 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNc1nccn2nnnc12 ZINC000664248488 419891974 /nfs/dbraw/zinc/89/19/74/419891974.db2.gz YUKXAYLTJMYAMR-UHFFFAOYSA-N 2 2 278.364 -0.185 20 0 CBADLP CCOCC[NH+]1CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC1 ZINC000649286867 419860538 /nfs/dbraw/zinc/86/05/38/419860538.db2.gz IBLQFIJCKFEOFT-UPJWGTAASA-N 2 2 267.373 -0.083 20 0 CBADLP Cn1[nH]cnc1=NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000666421246 544636862 /nfs/dbraw/zinc/63/68/62/544636862.db2.gz AZSVMONYMONTJH-UHFFFAOYSA-N 2 2 283.380 -0.758 20 0 CBADLP Cn1[nH]cnc1=NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000666421246 544636866 /nfs/dbraw/zinc/63/68/66/544636866.db2.gz AZSVMONYMONTJH-UHFFFAOYSA-N 2 2 283.380 -0.758 20 0 CBADLP C[C@H](NC(=O)NC[C@]1(O)CC[N@@H+](C)C1)c1[nH+]ccn1C ZINC000667251667 544657696 /nfs/dbraw/zinc/65/76/96/544657696.db2.gz RPILXLAUWSEEML-GXFFZTMASA-N 2 2 281.360 -0.153 20 0 CBADLP C[C@H](NC(=O)NC[C@@]1(O)CC[N@@H+](C)C1)c1[nH+]ccn1C ZINC000667251666 544657822 /nfs/dbraw/zinc/65/78/22/544657822.db2.gz RPILXLAUWSEEML-GWCFXTLKSA-N 2 2 281.360 -0.153 20 0 CBADLP CNC(=O)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000664314418 419899467 /nfs/dbraw/zinc/89/94/67/419899467.db2.gz KFQLMZKGRJMNLO-JTQLQIEISA-N 2 2 258.366 -0.879 20 0 CBADLP CNC(=O)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000664314418 419899471 /nfs/dbraw/zinc/89/94/71/419899471.db2.gz KFQLMZKGRJMNLO-JTQLQIEISA-N 2 2 258.366 -0.879 20 0 CBADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC1 ZINC000649342729 419899811 /nfs/dbraw/zinc/89/98/11/419899811.db2.gz LTBLILTZMYQIAQ-MXWKQRLJSA-N 2 2 280.372 -0.855 20 0 CBADLP OCC[NH+]1CCN(Cc2c[nH+]c3n2CCC3)CC1 ZINC000667461857 544664670 /nfs/dbraw/zinc/66/46/70/544664670.db2.gz PRBSALGOSHZMSH-UHFFFAOYSA-N 2 2 250.346 -0.061 20 0 CBADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)COC1(C)C[NH2+]C1 ZINC000649352110 419904855 /nfs/dbraw/zinc/90/48/55/419904855.db2.gz RZERIOKKMBRFCB-LBPRGKRZSA-N 2 2 284.404 -0.883 20 0 CBADLP CCN(C(=O)C(=O)NCc1[nH+]ccn1C)[C@H]1CC[N@H+](C)C1 ZINC000668810878 544722658 /nfs/dbraw/zinc/72/26/58/544722658.db2.gz IYVZJCHWLHVZTL-NSHDSACASA-N 2 2 293.371 -0.411 20 0 CBADLP CCN(C(=O)C(=O)NCc1[nH+]ccn1C)[C@H]1CC[N@@H+](C)C1 ZINC000668810878 544722662 /nfs/dbraw/zinc/72/26/62/544722662.db2.gz IYVZJCHWLHVZTL-NSHDSACASA-N 2 2 293.371 -0.411 20 0 CBADLP CN(C(=O)C[N@H+](C)CCN1CC[NH2+]CC1)c1nccs1 ZINC000649409621 419909297 /nfs/dbraw/zinc/90/92/97/419909297.db2.gz DVTHVKSFCVGPTJ-UHFFFAOYSA-N 2 2 297.428 -0.057 20 0 CBADLP CN(C(=O)C[N@@H+](C)CCN1CC[NH2+]CC1)c1nccs1 ZINC000649409621 419909303 /nfs/dbraw/zinc/90/93/03/419909303.db2.gz DVTHVKSFCVGPTJ-UHFFFAOYSA-N 2 2 297.428 -0.057 20 0 CBADLP CCC[N@H+](C)CC(C)(C)NC(=O)CN1CC[NH2+]CC1=O ZINC000664719395 419913741 /nfs/dbraw/zinc/91/37/41/419913741.db2.gz QFTKTROIEGGAFZ-UHFFFAOYSA-N 2 2 284.404 -0.345 20 0 CBADLP CCC[N@@H+](C)CC(C)(C)NC(=O)CN1CC[NH2+]CC1=O ZINC000664719395 419913744 /nfs/dbraw/zinc/91/37/44/419913744.db2.gz QFTKTROIEGGAFZ-UHFFFAOYSA-N 2 2 284.404 -0.345 20 0 CBADLP O=C(CCn1cc[nH+]c1)N1CCOC2(C[NH2+]C2)C1 ZINC000664723590 419915045 /nfs/dbraw/zinc/91/50/45/419915045.db2.gz BGYZPOYHNABRJS-UHFFFAOYSA-N 2 2 250.302 -0.526 20 0 CBADLP COC[C@H](OC)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000668638915 544711875 /nfs/dbraw/zinc/71/18/75/544711875.db2.gz COHIJFZIDHVQMZ-OCCSQVGLSA-N 2 2 299.415 -0.068 20 0 CBADLP COC[C@H](OC)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000668638915 544711878 /nfs/dbraw/zinc/71/18/78/544711878.db2.gz COHIJFZIDHVQMZ-OCCSQVGLSA-N 2 2 299.415 -0.068 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000669461722 544748923 /nfs/dbraw/zinc/74/89/23/544748923.db2.gz WVKBHOMLSDWKAU-RDBSUJKOSA-N 2 2 296.415 -0.042 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000669461722 544748928 /nfs/dbraw/zinc/74/89/28/544748928.db2.gz WVKBHOMLSDWKAU-RDBSUJKOSA-N 2 2 296.415 -0.042 20 0 CBADLP C[NH+]1CCN(C(=O)N[C@@H]2CCC[N@@H+](C)C2)[C@@H](C[NH3+])C1 ZINC000669403088 544749534 /nfs/dbraw/zinc/74/95/34/544749534.db2.gz ISZQIRQDZQPWEF-NEPJUHHUSA-N 3 2 269.393 -0.635 20 0 CBADLP C[NH+]1CCN(C(=O)N[C@@H]2CCC[N@H+](C)C2)[C@@H](C[NH3+])C1 ZINC000669403088 544749539 /nfs/dbraw/zinc/74/95/39/544749539.db2.gz ISZQIRQDZQPWEF-NEPJUHHUSA-N 3 2 269.393 -0.635 20 0 CBADLP C[NH+]1CCC[C@@H](NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])C1 ZINC000669403088 544749543 /nfs/dbraw/zinc/74/95/43/544749543.db2.gz ISZQIRQDZQPWEF-NEPJUHHUSA-N 3 2 269.393 -0.635 20 0 CBADLP C[NH+]1CCC[C@@H](NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])C1 ZINC000669403088 544749546 /nfs/dbraw/zinc/74/95/46/544749546.db2.gz ISZQIRQDZQPWEF-NEPJUHHUSA-N 3 2 269.393 -0.635 20 0 CBADLP C[N@@H+]1CCN(C(=O)C[C@@H]2CCCC[C@@H]2[NH3+])[C@@H](C[NH3+])C1 ZINC000669512652 544751595 /nfs/dbraw/zinc/75/15/95/544751595.db2.gz WQGKARFDVLZHFQ-AVGNSLFASA-N 3 2 268.405 -0.005 20 0 CBADLP C[N@H+]1CCN(C(=O)C[C@@H]2CCCC[C@@H]2[NH3+])[C@@H](C[NH3+])C1 ZINC000669512652 544751599 /nfs/dbraw/zinc/75/15/99/544751599.db2.gz WQGKARFDVLZHFQ-AVGNSLFASA-N 3 2 268.405 -0.005 20 0 CBADLP C[C@@H](NC(=O)N1CC[NH2+][C@@H](C)C1)[C@H]1C[N@H+](C)CCO1 ZINC000669538170 544752270 /nfs/dbraw/zinc/75/22/70/544752270.db2.gz BXUYVXJAQPYWAI-QJPTWQEYSA-N 2 2 270.377 -0.291 20 0 CBADLP C[C@@H](NC(=O)N1CC[NH2+][C@@H](C)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000669538170 544752274 /nfs/dbraw/zinc/75/22/74/544752274.db2.gz BXUYVXJAQPYWAI-QJPTWQEYSA-N 2 2 270.377 -0.291 20 0 CBADLP O=C1CC[C@@H](C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)N1 ZINC000649540775 419916682 /nfs/dbraw/zinc/91/66/82/419916682.db2.gz DTNQDBYSGMAAGD-STQMWFEESA-N 2 2 267.373 -0.081 20 0 CBADLP O=C1CC[C@@H](C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)N1 ZINC000649540775 419916690 /nfs/dbraw/zinc/91/66/90/419916690.db2.gz DTNQDBYSGMAAGD-STQMWFEESA-N 2 2 267.373 -0.081 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000649498582 419916982 /nfs/dbraw/zinc/91/69/82/419916982.db2.gz PTCZSLLGBMMHCA-WCQYABFASA-N 2 2 293.371 -0.268 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000649498582 419916985 /nfs/dbraw/zinc/91/69/85/419916985.db2.gz PTCZSLLGBMMHCA-WCQYABFASA-N 2 2 293.371 -0.268 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CCC(=O)NC2(C)C)CC1 ZINC000670101801 544776758 /nfs/dbraw/zinc/77/67/58/544776758.db2.gz TZQBDGWAVGOING-NSHDSACASA-N 2 2 282.388 -0.593 20 0 CBADLP C[NH+](C)CCN1CC[N@H+](CCCN2CCCC2=O)CC1=O ZINC000649687781 419925808 /nfs/dbraw/zinc/92/58/08/419925808.db2.gz FICVPDKPROBDAD-UHFFFAOYSA-N 2 2 296.415 -0.295 20 0 CBADLP C[NH+](C)CCN1CC[N@@H+](CCCN2CCCC2=O)CC1=O ZINC000649687781 419925815 /nfs/dbraw/zinc/92/58/15/419925815.db2.gz FICVPDKPROBDAD-UHFFFAOYSA-N 2 2 296.415 -0.295 20 0 CBADLP CC(C)OC[C@H](O)C[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649687137 419926820 /nfs/dbraw/zinc/92/68/20/419926820.db2.gz KJGGLLJAJCQUKN-CYBMUJFWSA-N 2 2 287.404 -0.522 20 0 CBADLP CC(C)OC[C@H](O)C[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649687137 419926824 /nfs/dbraw/zinc/92/68/24/419926824.db2.gz KJGGLLJAJCQUKN-CYBMUJFWSA-N 2 2 287.404 -0.522 20 0 CBADLP C[NH+](C)CCN1CC[N@H+](CCC2(O)CCC2)CC1=O ZINC000649685055 419926876 /nfs/dbraw/zinc/92/68/76/419926876.db2.gz MLMOHAQBFHNBSU-UHFFFAOYSA-N 2 2 269.389 -0.003 20 0 CBADLP C[NH+](C)CCN1CC[N@@H+](CCC2(O)CCC2)CC1=O ZINC000649685055 419926885 /nfs/dbraw/zinc/92/68/85/419926885.db2.gz MLMOHAQBFHNBSU-UHFFFAOYSA-N 2 2 269.389 -0.003 20 0 CBADLP C[NH+](C)CCN1CC[N@H+](CCN2CCCC2=O)CC1=O ZINC000649687930 419927203 /nfs/dbraw/zinc/92/72/03/419927203.db2.gz LINOFCPBTBGONJ-UHFFFAOYSA-N 2 2 282.388 -0.685 20 0 CBADLP C[NH+](C)CCN1CC[N@@H+](CCN2CCCC2=O)CC1=O ZINC000649687930 419927207 /nfs/dbraw/zinc/92/72/07/419927207.db2.gz LINOFCPBTBGONJ-UHFFFAOYSA-N 2 2 282.388 -0.685 20 0 CBADLP Cc1[nH+]ccn1CC[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649685465 419927307 /nfs/dbraw/zinc/92/73/07/419927307.db2.gz AEQQDYOGXFCLPX-UHFFFAOYSA-N 3 2 279.388 -0.103 20 0 CBADLP Cc1[nH+]ccn1CC[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649685465 419927315 /nfs/dbraw/zinc/92/73/15/419927315.db2.gz AEQQDYOGXFCLPX-UHFFFAOYSA-N 3 2 279.388 -0.103 20 0 CBADLP O=C1CC[C@@H](C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)N1 ZINC000665272718 419938059 /nfs/dbraw/zinc/93/80/59/419938059.db2.gz JRJUEALHVABCBJ-GVXVVHGQSA-N 2 2 253.346 -0.378 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000359307695 419957675 /nfs/dbraw/zinc/95/76/75/419957675.db2.gz NYLNLXSQCBIMLC-BFHYXJOUSA-N 3 2 280.416 -0.310 20 0 CBADLP CC(C)NC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359315273 419959615 /nfs/dbraw/zinc/95/96/15/419959615.db2.gz WBTABDQQYKQOGG-MXWKQRLJSA-N 2 2 268.361 -0.240 20 0 CBADLP CC(C)NC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359315273 419959619 /nfs/dbraw/zinc/95/96/19/419959619.db2.gz WBTABDQQYKQOGG-MXWKQRLJSA-N 2 2 268.361 -0.240 20 0 CBADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCCNS(C)(=O)=O)C1 ZINC000359684033 419981105 /nfs/dbraw/zinc/98/11/05/419981105.db2.gz YZZURLCVAHHXFY-WDEREUQCSA-N 2 2 263.407 -0.145 20 0 CBADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCCNS(C)(=O)=O)C1 ZINC000359684033 419981109 /nfs/dbraw/zinc/98/11/09/419981109.db2.gz YZZURLCVAHHXFY-WDEREUQCSA-N 2 2 263.407 -0.145 20 0 CBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC1CC1 ZINC000360027491 420001083 /nfs/dbraw/zinc/00/10/83/420001083.db2.gz KKUHWYDGCGLTEN-UHFFFAOYSA-N 2 2 296.415 -0.251 20 0 CBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC1CC1 ZINC000360027491 420001086 /nfs/dbraw/zinc/00/10/86/420001086.db2.gz KKUHWYDGCGLTEN-UHFFFAOYSA-N 2 2 296.415 -0.251 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CSC[NH2+]1 ZINC000360203996 420009201 /nfs/dbraw/zinc/00/92/01/420009201.db2.gz JNWVKQQVIDRLIV-ZJUUUORDSA-N 2 2 259.375 -0.514 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CSC[NH2+]1 ZINC000360203996 420009206 /nfs/dbraw/zinc/00/92/06/420009206.db2.gz JNWVKQQVIDRLIV-ZJUUUORDSA-N 2 2 259.375 -0.514 20 0 CBADLP Cc1cc(N2CCN(CC[NH+](C)C)C(=O)C2)nc[nH+]1 ZINC000651383182 420009527 /nfs/dbraw/zinc/00/95/27/420009527.db2.gz NSKXPFAGGINLPI-UHFFFAOYSA-N 2 2 263.345 -0.005 20 0 CBADLP C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)N1CC[NH+](C)CC1 ZINC000360225919 420012641 /nfs/dbraw/zinc/01/26/41/420012641.db2.gz SZPRYMOXAXPWNT-CHWSQXEVSA-N 2 2 284.404 -0.931 20 0 CBADLP Cc1nc(N2CC([N@@H+]3CC[C@@H](O)C3)C2)nc(N(C)C)[nH+]1 ZINC000651451473 420014708 /nfs/dbraw/zinc/01/47/08/420014708.db2.gz NQPRXQVLYBJSPA-LLVKDONJSA-N 2 2 278.360 -0.499 20 0 CBADLP Cc1nc(N2CC([N@H+]3CC[C@@H](O)C3)C2)nc(N(C)C)[nH+]1 ZINC000651451473 420014710 /nfs/dbraw/zinc/01/47/10/420014710.db2.gz NQPRXQVLYBJSPA-LLVKDONJSA-N 2 2 278.360 -0.499 20 0 CBADLP C[C@@H](O)CNc1cc(N2CC([N@@H+]3CC[C@@H](O)C3)C2)nc[nH+]1 ZINC000651452354 420014942 /nfs/dbraw/zinc/01/49/42/420014942.db2.gz IMUIKJQMCLMLHE-ZYHUDNBSSA-N 2 2 293.371 -0.476 20 0 CBADLP C[C@@H](O)CNc1cc(N2CC([N@H+]3CC[C@@H](O)C3)C2)nc[nH+]1 ZINC000651452354 420014946 /nfs/dbraw/zinc/01/49/46/420014946.db2.gz IMUIKJQMCLMLHE-ZYHUDNBSSA-N 2 2 293.371 -0.476 20 0 CBADLP C[C@@](O)(CNc1[nH+]cnc2[nH]ccc21)C[NH+]1CCOCC1 ZINC000361095992 420019996 /nfs/dbraw/zinc/01/99/96/420019996.db2.gz KUFSNYXSVXWRNB-CQSZACIVSA-N 2 2 291.355 0.453 20 0 CBADLP CCCCNC(=O)C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362826163 420027956 /nfs/dbraw/zinc/02/79/56/420027956.db2.gz MBFHWGVHUNOZEK-ZDUSSCGKSA-N 2 2 296.415 -0.201 20 0 CBADLP CCCCNC(=O)C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362826163 420027959 /nfs/dbraw/zinc/02/79/59/420027959.db2.gz MBFHWGVHUNOZEK-ZDUSSCGKSA-N 2 2 296.415 -0.201 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000364209563 420032629 /nfs/dbraw/zinc/03/26/29/420032629.db2.gz CGXVKHFEYFSBNG-BZPMIXESSA-N 2 2 267.373 -0.177 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[NH+](CCO)[C@@H](C)C2)C1 ZINC000364593410 420043870 /nfs/dbraw/zinc/04/38/70/420043870.db2.gz WROLJDDXWDWBTE-HZSPNIEDSA-N 2 2 299.415 -0.379 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[NH+](CCO)[C@@H](C)C2)C1 ZINC000364593410 420043872 /nfs/dbraw/zinc/04/38/72/420043872.db2.gz WROLJDDXWDWBTE-HZSPNIEDSA-N 2 2 299.415 -0.379 20 0 CBADLP CC[NH+]1CCO[C@@H](C(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)C1 ZINC000364593410 420043877 /nfs/dbraw/zinc/04/38/77/420043877.db2.gz WROLJDDXWDWBTE-HZSPNIEDSA-N 2 2 299.415 -0.379 20 0 CBADLP CC[NH+]1CCO[C@@H](C(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)C1 ZINC000364593410 420043879 /nfs/dbraw/zinc/04/38/79/420043879.db2.gz WROLJDDXWDWBTE-HZSPNIEDSA-N 2 2 299.415 -0.379 20 0 CBADLP CSCC[C@H]([NH3+])C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000364995868 420051259 /nfs/dbraw/zinc/05/12/59/420051259.db2.gz QIQOHKDXXBNGMB-RYUDHWBXSA-N 2 2 287.429 0.000 20 0 CBADLP COCCOCC[NH+]1CCN(C(=O)N[C@H](C)C[NH3+])CC1 ZINC000652213148 420051906 /nfs/dbraw/zinc/05/19/06/420051906.db2.gz DFBLYKBLDATJFO-GFCCVEGCSA-N 2 2 288.392 -0.676 20 0 CBADLP C[N@@H+]1CCN(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)[C@@H](C[NH3+])C1 ZINC000652229235 420053100 /nfs/dbraw/zinc/05/31/00/420053100.db2.gz HUYIKIOMVLNKJV-QCNOEVLYSA-N 2 2 268.361 -0.409 20 0 CBADLP C[N@H+]1CCN(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)[C@@H](C[NH3+])C1 ZINC000652229235 420053102 /nfs/dbraw/zinc/05/31/02/420053102.db2.gz HUYIKIOMVLNKJV-QCNOEVLYSA-N 2 2 268.361 -0.409 20 0 CBADLP Cn1nnnc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000365101448 420053859 /nfs/dbraw/zinc/05/38/59/420053859.db2.gz SACIFKRAUOUKEV-UHFFFAOYSA-N 2 2 280.376 -0.246 20 0 CBADLP C[N@@H+]1CCN(C(=O)NCCC2(C[NH3+])CC2)[C@H](C[NH3+])C1 ZINC000652231898 420054717 /nfs/dbraw/zinc/05/47/17/420054717.db2.gz JVKXIVKXOSXRRL-LLVKDONJSA-N 3 2 269.393 -0.600 20 0 CBADLP C[N@H+]1CCN(C(=O)NCCC2(C[NH3+])CC2)[C@H](C[NH3+])C1 ZINC000652231898 420054719 /nfs/dbraw/zinc/05/47/19/420054719.db2.gz JVKXIVKXOSXRRL-LLVKDONJSA-N 3 2 269.393 -0.600 20 0 CBADLP CCO[C@@H]1C[N@H+](Cc2cc(=O)n3[nH]ccc3n2)C[C@H]1C[NH3+] ZINC000652356731 420058815 /nfs/dbraw/zinc/05/88/15/420058815.db2.gz CRZDDWXBCIEANM-ZYHUDNBSSA-N 2 2 291.355 -0.182 20 0 CBADLP CCO[C@@H]1C[N@@H+](Cc2cc(=O)n3[nH]ccc3n2)C[C@H]1C[NH3+] ZINC000652356731 420058818 /nfs/dbraw/zinc/05/88/18/420058818.db2.gz CRZDDWXBCIEANM-ZYHUDNBSSA-N 2 2 291.355 -0.182 20 0 CBADLP CCO[C@@H]1C[N@H+](C[C@@H](C)CS(C)(=O)=O)C[C@H]1C[NH3+] ZINC000652356705 420059174 /nfs/dbraw/zinc/05/91/74/420059174.db2.gz AKSXFLWUDUXUJP-IJLUTSLNSA-N 2 2 278.418 -0.037 20 0 CBADLP CCO[C@@H]1C[N@@H+](C[C@@H](C)CS(C)(=O)=O)C[C@H]1C[NH3+] ZINC000652356705 420059177 /nfs/dbraw/zinc/05/91/77/420059177.db2.gz AKSXFLWUDUXUJP-IJLUTSLNSA-N 2 2 278.418 -0.037 20 0 CBADLP COC(=O)[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)C[NH2+]1 ZINC000365671748 420065279 /nfs/dbraw/zinc/06/52/79/420065279.db2.gz FOXJASYAAWOOEY-QNWJLWSRSA-N 2 2 295.383 -0.073 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000652889237 420094562 /nfs/dbraw/zinc/09/45/62/420094562.db2.gz LWJHMXFYKPDNFX-NEPJUHHUSA-N 2 2 253.346 -0.642 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000652889237 420094565 /nfs/dbraw/zinc/09/45/65/420094565.db2.gz LWJHMXFYKPDNFX-NEPJUHHUSA-N 2 2 253.346 -0.642 20 0 CBADLP C[NH+]1CCC[C@H]1C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000652889237 420094568 /nfs/dbraw/zinc/09/45/68/420094568.db2.gz LWJHMXFYKPDNFX-NEPJUHHUSA-N 2 2 253.346 -0.642 20 0 CBADLP C[NH+]1CCC[C@H]1C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000652889237 420094570 /nfs/dbraw/zinc/09/45/70/420094570.db2.gz LWJHMXFYKPDNFX-NEPJUHHUSA-N 2 2 253.346 -0.642 20 0 CBADLP CC[N@H+](CC(=O)N1CC([NH+]2CC[C@@H](O)C2)C1)C1CC1 ZINC000652891020 420095030 /nfs/dbraw/zinc/09/50/30/420095030.db2.gz YEOCKBQIZPEUEN-CYBMUJFWSA-N 2 2 267.373 -0.252 20 0 CBADLP CC[N@@H+](CC(=O)N1CC([NH+]2CC[C@@H](O)C2)C1)C1CC1 ZINC000652891020 420095033 /nfs/dbraw/zinc/09/50/33/420095033.db2.gz YEOCKBQIZPEUEN-CYBMUJFWSA-N 2 2 267.373 -0.252 20 0 CBADLP CC[NH+](CC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1)C1CC1 ZINC000652891020 420095040 /nfs/dbraw/zinc/09/50/40/420095040.db2.gz YEOCKBQIZPEUEN-CYBMUJFWSA-N 2 2 267.373 -0.252 20 0 CBADLP CC[NH+](CC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1)C1CC1 ZINC000652891020 420095044 /nfs/dbraw/zinc/09/50/44/420095044.db2.gz YEOCKBQIZPEUEN-CYBMUJFWSA-N 2 2 267.373 -0.252 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CCC(=O)N[C@@H]2C2CC2)CC1 ZINC000367446164 420106200 /nfs/dbraw/zinc/10/62/00/420106200.db2.gz CBRHAWJXRQAOBT-SWLSCSKDSA-N 2 2 294.399 -0.593 20 0 CBADLP CCn1ccc(CC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])n1 ZINC000653055114 420111241 /nfs/dbraw/zinc/11/12/41/420111241.db2.gz OCPZOPMTFFBFEI-GFCCVEGCSA-N 2 2 265.361 -0.453 20 0 CBADLP CCn1ccc(CC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])n1 ZINC000653055114 420111243 /nfs/dbraw/zinc/11/12/43/420111243.db2.gz OCPZOPMTFFBFEI-GFCCVEGCSA-N 2 2 265.361 -0.453 20 0 CBADLP CNS(=O)(=O)[C@@H]1CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000367593571 420111524 /nfs/dbraw/zinc/11/15/24/420111524.db2.gz LADINCPYVQYENY-LLVKDONJSA-N 2 2 272.374 -0.103 20 0 CBADLP CNS(=O)(=O)[C@@H]1CC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000367593571 420111528 /nfs/dbraw/zinc/11/15/28/420111528.db2.gz LADINCPYVQYENY-LLVKDONJSA-N 2 2 272.374 -0.103 20 0 CBADLP C[N@@H+]1CCN(C(=O)[C@@H]2CCC[NH2+]CC2)[C@H](C[NH3+])C1 ZINC000653055207 420112000 /nfs/dbraw/zinc/11/20/00/420112000.db2.gz VMXXNIVBMMNXBO-VXGBXAGGSA-N 3 2 254.378 -0.523 20 0 CBADLP C[N@H+]1CCN(C(=O)[C@@H]2CCC[NH2+]CC2)[C@H](C[NH3+])C1 ZINC000653055207 420112003 /nfs/dbraw/zinc/11/20/03/420112003.db2.gz VMXXNIVBMMNXBO-VXGBXAGGSA-N 3 2 254.378 -0.523 20 0 CBADLP CC[N@@H+]1CCOC[C@H]1C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000367645611 420112578 /nfs/dbraw/zinc/11/25/78/420112578.db2.gz MWMVANYPDNSTEB-AWEZNQCLSA-N 2 2 299.415 -0.330 20 0 CBADLP CC[N@H+]1CCOC[C@H]1C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000367645611 420112583 /nfs/dbraw/zinc/11/25/83/420112583.db2.gz MWMVANYPDNSTEB-AWEZNQCLSA-N 2 2 299.415 -0.330 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCCNC(=O)c1cccs1 ZINC000653070942 420113506 /nfs/dbraw/zinc/11/35/06/420113506.db2.gz ORIVFWWUVNBWHC-SNVBAGLBSA-N 2 2 298.412 -0.127 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000653082185 420114995 /nfs/dbraw/zinc/11/49/95/420114995.db2.gz LYSLGMRSZNZFRJ-SDDRHHMPSA-N 2 2 282.388 -0.465 20 0 CBADLP CC(C)[C@H]1C(=O)NCCN1C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653086619 420115380 /nfs/dbraw/zinc/11/53/80/420115380.db2.gz XLTVFOWDLBGWRJ-MNOVXSKESA-N 2 2 270.377 -0.752 20 0 CBADLP CC(C)[C@H]1C(=O)NCCN1C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653086620 420115399 /nfs/dbraw/zinc/11/53/99/420115399.db2.gz XLTVFOWDLBGWRJ-QWRGUYRKSA-N 2 2 270.377 -0.752 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000653092345 420115566 /nfs/dbraw/zinc/11/55/66/420115566.db2.gz ZRKZFOMLJVKILB-MWLCHTKSSA-N 2 2 268.361 -0.855 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000653082184 420115579 /nfs/dbraw/zinc/11/55/79/420115579.db2.gz LYSLGMRSZNZFRJ-QJPTWQEYSA-N 2 2 282.388 -0.465 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000653112615 420115820 /nfs/dbraw/zinc/11/58/20/420115820.db2.gz DEDAAPZDFMJJSX-ZYHUDNBSSA-N 3 2 254.378 -0.382 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000653112615 420115824 /nfs/dbraw/zinc/11/58/24/420115824.db2.gz DEDAAPZDFMJJSX-ZYHUDNBSSA-N 3 2 254.378 -0.382 20 0 CBADLP CN(C)c1ccc(CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)c[nH+]1 ZINC000653109465 420115949 /nfs/dbraw/zinc/11/59/49/420115949.db2.gz BWQHQKKEXZOZET-WFASDCNBSA-N 2 2 290.367 0.000 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000653110691 420116192 /nfs/dbraw/zinc/11/61/92/420116192.db2.gz QUAMFLWHUGLTBN-WCQYABFASA-N 3 2 288.461 -0.181 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@@](F)(CO)C2)CC1 ZINC000367859433 420116629 /nfs/dbraw/zinc/11/66/29/420116629.db2.gz WFQHYDZFWBLNJV-AWEZNQCLSA-N 2 2 287.379 -0.053 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@@](F)(CO)C2)CC1 ZINC000367859433 420116631 /nfs/dbraw/zinc/11/66/31/420116631.db2.gz WFQHYDZFWBLNJV-AWEZNQCLSA-N 2 2 287.379 -0.053 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@H](N)CC[NH+](C)C)CC1 ZINC000653107515 420116520 /nfs/dbraw/zinc/11/65/20/420116520.db2.gz MYVGGZGPSSVFMI-GFCCVEGCSA-N 2 2 272.393 -0.944 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653107515 420116525 /nfs/dbraw/zinc/11/65/25/420116525.db2.gz MYVGGZGPSSVFMI-GFCCVEGCSA-N 3 2 272.393 -0.944 20 0 CBADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653105144 420116824 /nfs/dbraw/zinc/11/68/24/420116824.db2.gz HSVWKIDIQVPUAN-NEPJUHHUSA-N 3 2 256.394 -0.134 20 0 CBADLP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653105144 420116827 /nfs/dbraw/zinc/11/68/27/420116827.db2.gz HSVWKIDIQVPUAN-NEPJUHHUSA-N 3 2 256.394 -0.134 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653111001 420117104 /nfs/dbraw/zinc/11/71/04/420117104.db2.gz AMZHHRCZLBBYKJ-GVXVVHGQSA-N 2 2 264.329 -0.376 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000653112278 420117432 /nfs/dbraw/zinc/11/74/32/420117432.db2.gz SXSAMCMYMWJJTG-NEPJUHHUSA-N 3 2 256.394 -0.278 20 0 CBADLP O=C(NCC[NH+]1CCOCC1)[C@H]1CCC[NH2+]CC1 ZINC000653105211 420117480 /nfs/dbraw/zinc/11/74/80/420117480.db2.gz KVZLPSSDCOMCMT-LBPRGKRZSA-N 2 2 255.362 -0.176 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000653116455 420118326 /nfs/dbraw/zinc/11/83/26/420118326.db2.gz HNYAPGYJOXHOSJ-MELADBBJSA-N 3 2 298.431 -0.677 20 0 CBADLP C[C@H](CNC(=O)CC(F)(F)C[NH3+])C[NH+]1CCN(C)CC1 ZINC000653124599 420118559 /nfs/dbraw/zinc/11/85/59/420118559.db2.gz BNMBAUOLOXBQIT-LLVKDONJSA-N 2 2 292.374 -0.030 20 0 CBADLP C[C@H](CNC(=O)CC(F)(F)C[NH3+])CN1CC[NH+](C)CC1 ZINC000653124599 420118564 /nfs/dbraw/zinc/11/85/64/420118564.db2.gz BNMBAUOLOXBQIT-LLVKDONJSA-N 2 2 292.374 -0.030 20 0 CBADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653116841 420118800 /nfs/dbraw/zinc/11/88/00/420118800.db2.gz WENLMTXJZQXSRT-OLZOCXBDSA-N 3 2 286.420 -0.508 20 0 CBADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653116841 420118802 /nfs/dbraw/zinc/11/88/02/420118802.db2.gz WENLMTXJZQXSRT-OLZOCXBDSA-N 3 2 286.420 -0.508 20 0 CBADLP C[C@@H](NC(=O)[C@]12C[NH2+]C[C@H]1COC2)[C@@H](C)[NH+]1CCOCC1 ZINC000653117652 420120318 /nfs/dbraw/zinc/12/03/18/420120318.db2.gz SEGVBZGCAWDELT-CXTNEJHOSA-N 2 2 297.399 -0.552 20 0 CBADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653116842 420120578 /nfs/dbraw/zinc/12/05/78/420120578.db2.gz WENLMTXJZQXSRT-QWHCGFSZSA-N 3 2 286.420 -0.508 20 0 CBADLP COCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653116842 420120580 /nfs/dbraw/zinc/12/05/80/420120580.db2.gz WENLMTXJZQXSRT-QWHCGFSZSA-N 3 2 286.420 -0.508 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000653115583 420120748 /nfs/dbraw/zinc/12/07/48/420120748.db2.gz TYNQJVHMPLHUTF-NEPJUHHUSA-N 3 2 256.394 -0.182 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000653144424 420122968 /nfs/dbraw/zinc/12/29/68/420122968.db2.gz SKZLYXHRWOYISC-ZYHUDNBSSA-N 3 2 260.357 -0.575 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000653148753 420123530 /nfs/dbraw/zinc/12/35/30/420123530.db2.gz KCRMUSQGZAYHIP-VXGBXAGGSA-N 3 2 256.394 -0.182 20 0 CBADLP O=C([C@@H]1CCCc2[nH+]ccn21)N1CC[NH+](CCO)CC1 ZINC000368071838 420123891 /nfs/dbraw/zinc/12/38/91/420123891.db2.gz HWZHKVOADVXMLG-LBPRGKRZSA-N 2 2 278.356 -0.103 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CC[C@@H](Nc2ncccn2)C1 ZINC000653167036 420126665 /nfs/dbraw/zinc/12/66/65/420126665.db2.gz FUSIDYPUHKQMGC-VXGBXAGGSA-N 2 2 292.387 -0.232 20 0 CBADLP COCCOCC[NH+]1CCN(C(=O)[C@@H](C)[C@@H](C)[NH3+])CC1 ZINC000653275693 420133049 /nfs/dbraw/zinc/13/30/49/420133049.db2.gz LNXFXUVNZVUURI-QWHCGFSZSA-N 2 2 287.404 -0.223 20 0 CBADLP CC[N@@H+]1CCOC[C@H]1C(=O)NCC[NH+](C)C1CC1 ZINC000368466702 420133205 /nfs/dbraw/zinc/13/32/05/420133205.db2.gz NXAFAWOGMXFCJA-LBPRGKRZSA-N 2 2 255.362 -0.083 20 0 CBADLP CC[N@H+]1CCOC[C@H]1C(=O)NCC[NH+](C)C1CC1 ZINC000368466702 420133207 /nfs/dbraw/zinc/13/32/07/420133207.db2.gz NXAFAWOGMXFCJA-LBPRGKRZSA-N 2 2 255.362 -0.083 20 0 CBADLP CC[NH+]1CCOC[C@H]1C(=O)NCC[N@H+](C)C1CC1 ZINC000368466702 420133210 /nfs/dbraw/zinc/13/32/10/420133210.db2.gz NXAFAWOGMXFCJA-LBPRGKRZSA-N 2 2 255.362 -0.083 20 0 CBADLP CC[NH+]1CCOC[C@H]1C(=O)NCC[N@@H+](C)C1CC1 ZINC000368466702 420133214 /nfs/dbraw/zinc/13/32/14/420133214.db2.gz NXAFAWOGMXFCJA-LBPRGKRZSA-N 2 2 255.362 -0.083 20 0 CBADLP COCCOCC[NH+]1CCN(C(=O)C[NH2+]C2CC2)CC1 ZINC000653275599 420133343 /nfs/dbraw/zinc/13/33/43/420133343.db2.gz JGQWNSBGNUXGOB-UHFFFAOYSA-N 2 2 285.388 -0.454 20 0 CBADLP COCCOCC[NH+]1CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC1 ZINC000653275936 420133433 /nfs/dbraw/zinc/13/34/33/420133433.db2.gz RHCRDVVIRFVYRS-MCIONIFRSA-N 2 2 297.399 -0.456 20 0 CBADLP C[NH2+]C[C@@H](C)C(=O)N1CC[NH+](CCOCCOC)CC1 ZINC000653275992 420134403 /nfs/dbraw/zinc/13/44/03/420134403.db2.gz SWYFYJBCCUOMED-CYBMUJFWSA-N 2 2 287.404 -0.351 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NCCC1CC[NH2+]CC1 ZINC000653272281 420134473 /nfs/dbraw/zinc/13/44/73/420134473.db2.gz GZENOTXTUGVZHJ-UHFFFAOYSA-N 2 2 298.431 -0.051 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NCCC1CC[NH2+]CC1 ZINC000653272281 420134478 /nfs/dbraw/zinc/13/44/78/420134478.db2.gz GZENOTXTUGVZHJ-UHFFFAOYSA-N 2 2 298.431 -0.051 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCO[C@@H]3C[C@@H]32)CC1 ZINC000368638547 420139756 /nfs/dbraw/zinc/13/97/56/420139756.db2.gz OIURPYQEKNWIDT-NWDGAFQWSA-N 2 2 253.346 -0.376 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCO[C@@H]3C[C@@H]32)CC1 ZINC000368638547 420139759 /nfs/dbraw/zinc/13/97/59/420139759.db2.gz OIURPYQEKNWIDT-NWDGAFQWSA-N 2 2 253.346 -0.376 20 0 CBADLP COC(=O)CNC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366544824 420087609 /nfs/dbraw/zinc/08/76/09/420087609.db2.gz NVHBIHMPJKOCSF-BXUZGUMPSA-N 2 2 283.372 -0.308 20 0 CBADLP COC(=O)CNC(=O)[C@@H](C)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366544824 420087613 /nfs/dbraw/zinc/08/76/13/420087613.db2.gz NVHBIHMPJKOCSF-BXUZGUMPSA-N 2 2 283.372 -0.308 20 0 CBADLP COC(=O)CNC(=O)[C@@H](C)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000366544824 420087616 /nfs/dbraw/zinc/08/76/16/420087616.db2.gz NVHBIHMPJKOCSF-BXUZGUMPSA-N 2 2 283.372 -0.308 20 0 CBADLP COC(=O)CNC(=O)[C@@H](C)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000366544824 420087619 /nfs/dbraw/zinc/08/76/19/420087619.db2.gz NVHBIHMPJKOCSF-BXUZGUMPSA-N 2 2 283.372 -0.308 20 0 CBADLP O=C(NC[C@@]1([NH+]2CCOCC2)CCCOC1)[C@@H]1CC[NH2+]C1 ZINC000370770133 420185147 /nfs/dbraw/zinc/18/51/47/420185147.db2.gz CDDQWBVXAVBJNB-HIFRSBDPSA-N 2 2 297.399 -0.407 20 0 CBADLP CC(C)[C@H]([NH3+])C(=O)NC[C@]1([NH+]2CCOCC2)CCCOC1 ZINC000370775683 420187238 /nfs/dbraw/zinc/18/72/38/420187238.db2.gz XKWLDWSBWWXLHD-DZGCQCFKSA-N 2 2 299.415 -0.033 20 0 CBADLP CC(C)[C@@H](C(=O)NC[C@@H]1C[NH+]2CCN1CC2)[NH+](C)C ZINC000370823992 420187612 /nfs/dbraw/zinc/18/76/12/420187612.db2.gz NNIBLWCLTDJBFK-OLZOCXBDSA-N 2 2 268.405 -0.311 20 0 CBADLP CC(C)[C@@H](C(=O)NC[C@H]1C[NH+]2CCN1CC2)[NH+](C)C ZINC000370823994 420187696 /nfs/dbraw/zinc/18/76/96/420187696.db2.gz NNIBLWCLTDJBFK-STQMWFEESA-N 2 2 268.405 -0.311 20 0 CBADLP O=C([C@H]1CC[NH2+]1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000384777678 420201098 /nfs/dbraw/zinc/20/10/98/420201098.db2.gz JLPJWRPWLODPBS-VXGBXAGGSA-N 2 2 253.346 -0.329 20 0 CBADLP CC[N@H+](CCO)CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000368964975 420147900 /nfs/dbraw/zinc/14/79/00/420147900.db2.gz IIWUISMDLIBSLL-GFCCVEGCSA-N 2 2 280.372 -0.124 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](n2cncn2)C1 ZINC000653623813 420151717 /nfs/dbraw/zinc/15/17/17/420151717.db2.gz OLXBVYRNWCPOKQ-CHWSQXEVSA-N 2 2 283.376 -0.536 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](n2cncn2)C1 ZINC000653623813 420151721 /nfs/dbraw/zinc/15/17/21/420151721.db2.gz OLXBVYRNWCPOKQ-CHWSQXEVSA-N 2 2 283.376 -0.536 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000653623813 420151723 /nfs/dbraw/zinc/15/17/23/420151723.db2.gz OLXBVYRNWCPOKQ-CHWSQXEVSA-N 2 2 283.376 -0.536 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@]1(C)CO ZINC000653617699 420152506 /nfs/dbraw/zinc/15/25/06/420152506.db2.gz WNOQSTZKPPDHBG-OLZOCXBDSA-N 2 2 260.378 -0.228 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@]1(C)CO ZINC000653617699 420152510 /nfs/dbraw/zinc/15/25/10/420152510.db2.gz WNOQSTZKPPDHBG-OLZOCXBDSA-N 2 2 260.378 -0.228 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@]1(C)CO ZINC000653617699 420152514 /nfs/dbraw/zinc/15/25/14/420152514.db2.gz WNOQSTZKPPDHBG-OLZOCXBDSA-N 2 2 260.378 -0.228 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@]1(C)CO ZINC000653617699 420152517 /nfs/dbraw/zinc/15/25/17/420152517.db2.gz WNOQSTZKPPDHBG-OLZOCXBDSA-N 2 2 260.378 -0.228 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@]1(C)CO ZINC000653617698 420153727 /nfs/dbraw/zinc/15/37/27/420153727.db2.gz WNOQSTZKPPDHBG-CHWSQXEVSA-N 2 2 260.378 -0.228 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@]1(C)CO ZINC000653617698 420153729 /nfs/dbraw/zinc/15/37/29/420153729.db2.gz WNOQSTZKPPDHBG-CHWSQXEVSA-N 2 2 260.378 -0.228 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@]1(C)CO ZINC000653617698 420153732 /nfs/dbraw/zinc/15/37/32/420153732.db2.gz WNOQSTZKPPDHBG-CHWSQXEVSA-N 2 2 260.378 -0.228 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@]1(C)CO ZINC000653617698 420153733 /nfs/dbraw/zinc/15/37/33/420153733.db2.gz WNOQSTZKPPDHBG-CHWSQXEVSA-N 2 2 260.378 -0.228 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@](O)(Cn2ccnn2)C1 ZINC000653669172 420156119 /nfs/dbraw/zinc/15/61/19/420156119.db2.gz LRUMIMLWEDECIB-STQMWFEESA-N 2 2 283.376 -0.973 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@](O)(Cn2ccnn2)C1 ZINC000653669172 420156125 /nfs/dbraw/zinc/15/61/25/420156125.db2.gz LRUMIMLWEDECIB-STQMWFEESA-N 2 2 283.376 -0.973 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@](O)(Cn2ccnn2)C1 ZINC000653669172 420156130 /nfs/dbraw/zinc/15/61/30/420156130.db2.gz LRUMIMLWEDECIB-STQMWFEESA-N 2 2 283.376 -0.973 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@](O)(Cn2ccnn2)C1 ZINC000653669172 420156135 /nfs/dbraw/zinc/15/61/35/420156135.db2.gz LRUMIMLWEDECIB-STQMWFEESA-N 2 2 283.376 -0.973 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@](CO)(COC)C1 ZINC000653755174 420159771 /nfs/dbraw/zinc/15/97/71/420159771.db2.gz FVAXRVIWKKIQFD-UONOGXRCSA-N 2 2 290.404 -0.744 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@](CO)(COC)C1 ZINC000653755174 420159775 /nfs/dbraw/zinc/15/97/75/420159775.db2.gz FVAXRVIWKKIQFD-UONOGXRCSA-N 2 2 290.404 -0.744 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@](CO)(COC)C1 ZINC000653755174 420159777 /nfs/dbraw/zinc/15/97/77/420159777.db2.gz FVAXRVIWKKIQFD-UONOGXRCSA-N 2 2 290.404 -0.744 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@](CO)(COC)C1 ZINC000653755174 420159781 /nfs/dbraw/zinc/15/97/81/420159781.db2.gz FVAXRVIWKKIQFD-UONOGXRCSA-N 2 2 290.404 -0.744 20 0 CBADLP Cn1cnnc1N1CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000653823522 420164029 /nfs/dbraw/zinc/16/40/29/420164029.db2.gz GSCWAUPJNZIEKE-UHFFFAOYSA-N 2 2 261.333 -0.166 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000369690604 420164257 /nfs/dbraw/zinc/16/42/57/420164257.db2.gz WQTDADRCZCRYDM-CYBMUJFWSA-N 2 2 285.388 -0.454 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000369690604 420164261 /nfs/dbraw/zinc/16/42/61/420164261.db2.gz WQTDADRCZCRYDM-CYBMUJFWSA-N 2 2 285.388 -0.454 20 0 CBADLP C[C@H](O)C[N@H+](CC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000653896751 420170367 /nfs/dbraw/zinc/17/03/67/420170367.db2.gz XZQGPRYHCKRUMS-NSHDSACASA-N 2 2 255.362 -0.394 20 0 CBADLP C[C@H](O)C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000653896751 420170371 /nfs/dbraw/zinc/17/03/71/420170371.db2.gz XZQGPRYHCKRUMS-NSHDSACASA-N 2 2 255.362 -0.394 20 0 CBADLP NC(=O)C1([NH+]2CCN(C(=O)CCC[NH3+])CC2)CCCC1 ZINC000370266390 420176263 /nfs/dbraw/zinc/17/62/63/420176263.db2.gz NMSGNYYOQVBISY-UHFFFAOYSA-N 2 2 282.388 -0.332 20 0 CBADLP O=C(N1CC[NH+](CCO)CC1)C12CCC[NH+]1CCC2 ZINC000370492315 420179083 /nfs/dbraw/zinc/17/90/83/420179083.db2.gz PTQQGYCJDUGCJZ-UHFFFAOYSA-N 2 2 267.373 -0.249 20 0 CBADLP C[NH+](C)CC(=O)N(C1CC1)[C@H]1CCN(C(=O)C[NH+](C)C)C1 ZINC000370452383 420179676 /nfs/dbraw/zinc/17/96/76/420179676.db2.gz JARREVGDFLSMIB-ZDUSSCGKSA-N 2 2 296.415 -0.299 20 0 CBADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000370596360 420182507 /nfs/dbraw/zinc/18/25/07/420182507.db2.gz GNNROTAPXVGRHV-CQSZACIVSA-N 2 2 299.415 -0.066 20 0 CBADLP CC(C)[N@H+]1CCO[C@@H](C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000370596360 420182511 /nfs/dbraw/zinc/18/25/11/420182511.db2.gz GNNROTAPXVGRHV-CQSZACIVSA-N 2 2 299.415 -0.066 20 0 CBADLP COCC1(CC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])CC1 ZINC000401273172 420221763 /nfs/dbraw/zinc/22/17/63/420221763.db2.gz NPTGYBSBYPKRTB-NSHDSACASA-N 2 2 255.362 -0.096 20 0 CBADLP COCC1(CC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])CC1 ZINC000401273172 420221768 /nfs/dbraw/zinc/22/17/68/420221768.db2.gz NPTGYBSBYPKRTB-NSHDSACASA-N 2 2 255.362 -0.096 20 0 CBADLP O=C([C@H]1CC[C@H](C2CC2)[NH2+]1)N1CC[NH+](CCO)CC1 ZINC000407251652 420228633 /nfs/dbraw/zinc/22/86/33/420228633.db2.gz HHHKDHROBQGPJX-CHWSQXEVSA-N 2 2 267.373 -0.347 20 0 CBADLP CCO[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H]1C[NH3+] ZINC000405880776 420228965 /nfs/dbraw/zinc/22/89/65/420228965.db2.gz TYJNQUZVERLVBF-VXGBXAGGSA-N 2 2 255.362 -0.192 20 0 CBADLP CCO[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H]1C[NH3+] ZINC000405880776 420228970 /nfs/dbraw/zinc/22/89/70/420228970.db2.gz TYJNQUZVERLVBF-VXGBXAGGSA-N 2 2 255.362 -0.192 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655244179 420234041 /nfs/dbraw/zinc/23/40/41/420234041.db2.gz NRZOHJYHPIFDSJ-FQUUOJAGSA-N 2 2 299.415 -0.069 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655244179 420234044 /nfs/dbraw/zinc/23/40/44/420234044.db2.gz NRZOHJYHPIFDSJ-FQUUOJAGSA-N 2 2 299.415 -0.069 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1C[NH+](C)CCO1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655244179 420234051 /nfs/dbraw/zinc/23/40/51/420234051.db2.gz NRZOHJYHPIFDSJ-FQUUOJAGSA-N 2 2 299.415 -0.069 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1C[NH+](C)CCO1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655244179 420234056 /nfs/dbraw/zinc/23/40/56/420234056.db2.gz NRZOHJYHPIFDSJ-FQUUOJAGSA-N 2 2 299.415 -0.069 20 0 CBADLP C[N@@H+]1CCN(C(=O)C[C@H]2CCC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000655419325 420248424 /nfs/dbraw/zinc/24/84/24/420248424.db2.gz SICKEUWJYVCADS-VXGBXAGGSA-N 3 2 254.378 -0.523 20 0 CBADLP C[N@H+]1CCN(C(=O)C[C@H]2CCC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000655419325 420248425 /nfs/dbraw/zinc/24/84/25/420248425.db2.gz SICKEUWJYVCADS-VXGBXAGGSA-N 3 2 254.378 -0.523 20 0 CBADLP C[C@H]1CN(c2cc(-n3cccn3)nc(N)[nH+]2)CC[NH2+]1 ZINC000420239505 420249170 /nfs/dbraw/zinc/24/91/70/420249170.db2.gz PHKUBLRJNXOXLR-VIFPVBQESA-N 2 2 259.317 0.043 20 0 CBADLP O=C(NC[C@H]1C[NH2+]CCCO1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000655466188 420253979 /nfs/dbraw/zinc/25/39/79/420253979.db2.gz SAIMPUNROIZTHO-VXGBXAGGSA-N 2 2 278.356 -0.060 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1CC[NH2+]1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488373 420255692 /nfs/dbraw/zinc/25/56/92/420255692.db2.gz XTCGFRICDCVDOM-NNYUYHANSA-N 2 2 255.362 -0.038 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1CC[NH2+]1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488373 420255694 /nfs/dbraw/zinc/25/56/94/420255694.db2.gz XTCGFRICDCVDOM-NNYUYHANSA-N 2 2 255.362 -0.038 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000423610832 420257224 /nfs/dbraw/zinc/25/72/24/420257224.db2.gz NBMXHRXRPHDVLA-NWDGAFQWSA-N 2 2 284.404 -0.348 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000423610832 420257226 /nfs/dbraw/zinc/25/72/26/420257226.db2.gz NBMXHRXRPHDVLA-NWDGAFQWSA-N 2 2 284.404 -0.348 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655516325 420261959 /nfs/dbraw/zinc/26/19/59/420261959.db2.gz SRRBTORHJQEDRP-MRVPVSSYSA-N 2 2 298.309 -0.551 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655516325 420261962 /nfs/dbraw/zinc/26/19/62/420261962.db2.gz SRRBTORHJQEDRP-MRVPVSSYSA-N 2 2 298.309 -0.551 20 0 CBADLP O[C@@H]1COC[C@H]1[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655771784 420271537 /nfs/dbraw/zinc/27/15/37/420271537.db2.gz FRBLQUPJNHADMS-MGPQQGTHSA-N 2 2 270.373 -0.021 20 0 CBADLP CO[C@](C)(CO)C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000655806960 420271826 /nfs/dbraw/zinc/27/18/26/420271826.db2.gz FMCYBFCEYXXTFS-LBPRGKRZSA-N 2 2 256.350 -0.027 20 0 CBADLP CC(C)(C[NH3+])C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000430731252 420272455 /nfs/dbraw/zinc/27/24/55/420272455.db2.gz LHNHTANBFFWCEL-UHFFFAOYSA-N 2 2 295.387 0.139 20 0 CBADLP CC(C)[C@H]([NH3+])C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000430716561 420272642 /nfs/dbraw/zinc/27/26/42/420272642.db2.gz WINNPWCMCYFXLP-ZDUSSCGKSA-N 2 2 295.387 0.137 20 0 CBADLP C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000430611661 420273015 /nfs/dbraw/zinc/27/30/15/420273015.db2.gz PJOQESACOFTMMW-NWDGAFQWSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000430611661 420273020 /nfs/dbraw/zinc/27/30/20/420273020.db2.gz PJOQESACOFTMMW-NWDGAFQWSA-N 2 2 296.415 -0.217 20 0 CBADLP [NH3+]C[C@H]1CCC[N@H+](CC(=O)NCCCN2CCCC2=O)C1 ZINC000430608528 420273062 /nfs/dbraw/zinc/27/30/62/420273062.db2.gz DILQEZYSKWWXAI-CYBMUJFWSA-N 2 2 296.415 -0.214 20 0 CBADLP [NH3+]C[C@H]1CCC[N@@H+](CC(=O)NCCCN2CCCC2=O)C1 ZINC000430608528 420273065 /nfs/dbraw/zinc/27/30/65/420273065.db2.gz DILQEZYSKWWXAI-CYBMUJFWSA-N 2 2 296.415 -0.214 20 0 CBADLP [NH3+]C[C@@H]1CCC[N@H+](CC(=O)NCC(=O)N2CCCC2)C1 ZINC000430604634 420273475 /nfs/dbraw/zinc/27/34/75/420273475.db2.gz OIWSOEZOTXTGOM-LBPRGKRZSA-N 2 2 282.388 -0.604 20 0 CBADLP [NH3+]C[C@@H]1CCC[N@@H+](CC(=O)NCC(=O)N2CCCC2)C1 ZINC000430604634 420273480 /nfs/dbraw/zinc/27/34/80/420273480.db2.gz OIWSOEZOTXTGOM-LBPRGKRZSA-N 2 2 282.388 -0.604 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655916454 420276583 /nfs/dbraw/zinc/27/65/83/420276583.db2.gz YPGZEBRPHYUMFY-BDAKNGLRSA-N 2 2 298.309 -0.104 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655916454 420276586 /nfs/dbraw/zinc/27/65/86/420276586.db2.gz YPGZEBRPHYUMFY-BDAKNGLRSA-N 2 2 298.309 -0.104 20 0 CBADLP CCCNS(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000657092973 420342551 /nfs/dbraw/zinc/34/25/51/420342551.db2.gz VKXFFIDTZLZNPM-UHFFFAOYSA-N 2 2 280.438 -0.296 20 0 CBADLP CCCNS(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000657092973 420342558 /nfs/dbraw/zinc/34/25/58/420342558.db2.gz VKXFFIDTZLZNPM-UHFFFAOYSA-N 2 2 280.438 -0.296 20 0 CBADLP COC(=O)N1CC([NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000497246463 420343216 /nfs/dbraw/zinc/34/32/16/420343216.db2.gz PZQDPCXQUQFOBZ-RYUDHWBXSA-N 2 2 269.345 -0.206 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+]Cc2cnn3c2CCC3)CC1 ZINC000657334307 420353389 /nfs/dbraw/zinc/35/33/89/420353389.db2.gz VEEFIKGCANJVGG-UHFFFAOYSA-N 2 2 277.372 -0.307 20 0 CBADLP O=C1CN(CCC[NH2+]Cc2c[nH+]c3n2CCC3)CCN1 ZINC000657499597 420354997 /nfs/dbraw/zinc/35/49/97/420354997.db2.gz FVICCYNAAZGHGJ-UHFFFAOYSA-N 2 2 277.372 -0.259 20 0 CBADLP CS(=O)(=O)NC1CC([NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000657461810 420355631 /nfs/dbraw/zinc/35/56/31/420355631.db2.gz LBTSKMRDMWBPKB-UHFFFAOYSA-N 2 2 284.385 -0.001 20 0 CBADLP CN(C)c1[nH+]cc(C[NH2+]C[C@@]2(OCCO)CCOC2)n1C ZINC000657599237 420358865 /nfs/dbraw/zinc/35/88/65/420358865.db2.gz ZELNVIHHHGLYTF-AWEZNQCLSA-N 2 2 298.387 -0.256 20 0 CBADLP CO[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1c[nH+]c(C)n1C ZINC000657606531 420359411 /nfs/dbraw/zinc/35/94/11/420359411.db2.gz VCXLUMMGIWBHRV-QWRGUYRKSA-N 2 2 273.358 -0.370 20 0 CBADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH+]1CCN(c2nncn2C)CC1 ZINC000656199803 420301461 /nfs/dbraw/zinc/30/14/61/420301461.db2.gz DRZVVDAVJAYQRM-OLZOCXBDSA-N 2 2 294.403 -0.296 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000656198203 420302553 /nfs/dbraw/zinc/30/25/53/420302553.db2.gz MSAVFULAVHCPSA-NEPJUHHUSA-N 3 2 254.378 -0.380 20 0 CBADLP CC[N@H+](C[C@H](O)C[NH+](C)CCOC)[C@H]1CCNC1=O ZINC000517038049 420370780 /nfs/dbraw/zinc/37/07/80/420370780.db2.gz HTDMJVSDVJWNNN-NEPJUHHUSA-N 2 2 273.377 -0.864 20 0 CBADLP CC[N@@H+](C[C@H](O)C[NH+](C)CCOC)[C@H]1CCNC1=O ZINC000517038049 420370784 /nfs/dbraw/zinc/37/07/84/420370784.db2.gz HTDMJVSDVJWNNN-NEPJUHHUSA-N 2 2 273.377 -0.864 20 0 CBADLP CC[NH+](C[C@H](O)C[N@H+](C)CCOC)[C@H]1CCNC1=O ZINC000517038049 420370788 /nfs/dbraw/zinc/37/07/88/420370788.db2.gz HTDMJVSDVJWNNN-NEPJUHHUSA-N 2 2 273.377 -0.864 20 0 CBADLP CC[NH+](C[C@H](O)C[N@@H+](C)CCOC)[C@H]1CCNC1=O ZINC000517038049 420370793 /nfs/dbraw/zinc/37/07/93/420370793.db2.gz HTDMJVSDVJWNNN-NEPJUHHUSA-N 2 2 273.377 -0.864 20 0 CBADLP CC[N@H+](C[C@@H](O)C[NH+](C)CCOC)[C@H]1CCNC1=O ZINC000517038051 420370971 /nfs/dbraw/zinc/37/09/71/420370971.db2.gz HTDMJVSDVJWNNN-RYUDHWBXSA-N 2 2 273.377 -0.864 20 0 CBADLP CC[N@@H+](C[C@@H](O)C[NH+](C)CCOC)[C@H]1CCNC1=O ZINC000517038051 420370975 /nfs/dbraw/zinc/37/09/75/420370975.db2.gz HTDMJVSDVJWNNN-RYUDHWBXSA-N 2 2 273.377 -0.864 20 0 CBADLP CC[NH+](C[C@@H](O)C[N@H+](C)CCOC)[C@H]1CCNC1=O ZINC000517038051 420370978 /nfs/dbraw/zinc/37/09/78/420370978.db2.gz HTDMJVSDVJWNNN-RYUDHWBXSA-N 2 2 273.377 -0.864 20 0 CBADLP CC[NH+](C[C@@H](O)C[N@@H+](C)CCOC)[C@H]1CCNC1=O ZINC000517038051 420370980 /nfs/dbraw/zinc/37/09/80/420370980.db2.gz HTDMJVSDVJWNNN-RYUDHWBXSA-N 2 2 273.377 -0.864 20 0 CBADLP O=C(NCC[NH+]1CCC1)NCC1([NH+]2CCOCC2)CC1 ZINC000517665779 420378344 /nfs/dbraw/zinc/37/83/44/420378344.db2.gz DVEJUFSQORDXIH-UHFFFAOYSA-N 2 2 282.388 -0.144 20 0 CBADLP CCCC[C@@H](NC(N)=O)C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000518535762 420381977 /nfs/dbraw/zinc/38/19/77/420381977.db2.gz IWMXOUYURCIVDJ-WDEREUQCSA-N 2 2 285.392 -0.685 20 0 CBADLP CCCC[C@@H](NC(N)=O)C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000518535762 420381980 /nfs/dbraw/zinc/38/19/80/420381980.db2.gz IWMXOUYURCIVDJ-WDEREUQCSA-N 2 2 285.392 -0.685 20 0 CBADLP CSCC[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000518540386 420382634 /nfs/dbraw/zinc/38/26/34/420382634.db2.gz JXGMMAFHEKXWKG-WDEREUQCSA-N 2 2 275.418 -0.096 20 0 CBADLP CSCC[C@@H]([NH3+])C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000518540386 420382640 /nfs/dbraw/zinc/38/26/40/420382640.db2.gz JXGMMAFHEKXWKG-WDEREUQCSA-N 2 2 275.418 -0.096 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH2+]C1(C(N)=O)CCCCC1 ZINC000520327127 420389967 /nfs/dbraw/zinc/38/99/67/420389967.db2.gz XPRYUZDUYAWTNW-GFCCVEGCSA-N 2 2 287.404 -0.297 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH2+]C1(C(N)=O)CCCCC1 ZINC000520327127 420389970 /nfs/dbraw/zinc/38/99/70/420389970.db2.gz XPRYUZDUYAWTNW-GFCCVEGCSA-N 2 2 287.404 -0.297 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)CC[NH2+]C1CC1 ZINC000520253004 420390294 /nfs/dbraw/zinc/39/02/94/420390294.db2.gz NIZPPBGNGPQSGJ-LLVKDONJSA-N 2 2 255.362 -0.035 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)CC[NH2+]C1CC1 ZINC000520253004 420390302 /nfs/dbraw/zinc/39/03/02/420390302.db2.gz NIZPPBGNGPQSGJ-LLVKDONJSA-N 2 2 255.362 -0.035 20 0 CBADLP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NCCNc1cccc[nH+]1 ZINC000520224351 420390800 /nfs/dbraw/zinc/39/08/00/420390800.db2.gz BHNYUYZPPAVTBC-LLVKDONJSA-N 2 2 291.355 -0.522 20 0 CBADLP C[C@@H](C(=O)N1CC[NH2+][C@H](C)C1)[NH+]1CCN(C)CC1 ZINC000516868047 420365227 /nfs/dbraw/zinc/36/52/27/420365227.db2.gz NXUHDNRMIKZZGZ-NEPJUHHUSA-N 2 2 254.378 -0.557 20 0 CBADLP C[C@@H](C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)[NH+](C)C ZINC000674367907 544904920 /nfs/dbraw/zinc/90/49/20/544904920.db2.gz BRXPKQSRICDCPS-RYUDHWBXSA-N 2 2 273.377 -0.912 20 0 CBADLP Cc1ccn(CC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c(=O)c1 ZINC000516925898 420366508 /nfs/dbraw/zinc/36/65/08/420366508.db2.gz LRMNDAWIFCEAOS-GFCCVEGCSA-N 2 2 278.356 -0.742 20 0 CBADLP Cc1ccn(CC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c(=O)c1 ZINC000516925898 420366513 /nfs/dbraw/zinc/36/65/13/420366513.db2.gz LRMNDAWIFCEAOS-GFCCVEGCSA-N 2 2 278.356 -0.742 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)NCCCN2CCC[NH+](C)CC2)C1 ZINC000673671457 544885032 /nfs/dbraw/zinc/88/50/32/544885032.db2.gz ZBUMYDGHBBDRIG-AWEZNQCLSA-N 2 2 298.431 -0.539 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)NCCCN2CCC[NH+](C)CC2)C1 ZINC000673671457 544885034 /nfs/dbraw/zinc/88/50/34/544885034.db2.gz ZBUMYDGHBBDRIG-AWEZNQCLSA-N 2 2 298.431 -0.539 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)NCCCN2CCC[N@H+](C)CC2)C1 ZINC000673671457 544885038 /nfs/dbraw/zinc/88/50/38/544885038.db2.gz ZBUMYDGHBBDRIG-AWEZNQCLSA-N 2 2 298.431 -0.539 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)NCCCN2CCC[N@@H+](C)CC2)C1 ZINC000673671457 544885039 /nfs/dbraw/zinc/88/50/39/544885039.db2.gz ZBUMYDGHBBDRIG-AWEZNQCLSA-N 2 2 298.431 -0.539 20 0 CBADLP CN1CCC[N@H+](CCCNC(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000673671457 544885042 /nfs/dbraw/zinc/88/50/42/544885042.db2.gz ZBUMYDGHBBDRIG-AWEZNQCLSA-N 2 2 298.431 -0.539 20 0 CBADLP CN1CCC[N@@H+](CCCNC(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000673671457 544885045 /nfs/dbraw/zinc/88/50/45/544885045.db2.gz ZBUMYDGHBBDRIG-AWEZNQCLSA-N 2 2 298.431 -0.539 20 0 CBADLP CN1CCC[NH+](CCCNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000673671457 544885048 /nfs/dbraw/zinc/88/50/48/544885048.db2.gz ZBUMYDGHBBDRIG-AWEZNQCLSA-N 2 2 298.431 -0.539 20 0 CBADLP CN1CCC[NH+](CCCNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000673671457 544885051 /nfs/dbraw/zinc/88/50/51/544885051.db2.gz ZBUMYDGHBBDRIG-AWEZNQCLSA-N 2 2 298.431 -0.539 20 0 CBADLP CC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000673673899 544885798 /nfs/dbraw/zinc/88/57/98/544885798.db2.gz RTWVQFLRIMUPNL-VXGBXAGGSA-N 2 2 271.361 -0.846 20 0 CBADLP CC[N@H+]1CCO[C@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000673673899 544885801 /nfs/dbraw/zinc/88/58/01/544885801.db2.gz RTWVQFLRIMUPNL-VXGBXAGGSA-N 2 2 271.361 -0.846 20 0 CBADLP CC[NH+]1CCO[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000673673899 544885802 /nfs/dbraw/zinc/88/58/02/544885802.db2.gz RTWVQFLRIMUPNL-VXGBXAGGSA-N 2 2 271.361 -0.846 20 0 CBADLP CC[NH+]1CCO[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000673673899 544885804 /nfs/dbraw/zinc/88/58/04/544885804.db2.gz RTWVQFLRIMUPNL-VXGBXAGGSA-N 2 2 271.361 -0.846 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)NC[C@H]2C[N@H+](CC)CCO2)C1 ZINC000673673113 544886343 /nfs/dbraw/zinc/88/63/43/544886343.db2.gz FUPALVYEESTQCN-STQMWFEESA-N 2 2 285.388 -0.456 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)NC[C@H]2C[N@@H+](CC)CCO2)C1 ZINC000673673113 544886345 /nfs/dbraw/zinc/88/63/45/544886345.db2.gz FUPALVYEESTQCN-STQMWFEESA-N 2 2 285.388 -0.456 20 0 CBADLP CC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC000673673113 544886347 /nfs/dbraw/zinc/88/63/47/544886347.db2.gz FUPALVYEESTQCN-STQMWFEESA-N 2 2 285.388 -0.456 20 0 CBADLP CC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000673673113 544886351 /nfs/dbraw/zinc/88/63/51/544886351.db2.gz FUPALVYEESTQCN-STQMWFEESA-N 2 2 285.388 -0.456 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)NCCCN2CCC[NH+](C)CC2)C1 ZINC000673671458 544886391 /nfs/dbraw/zinc/88/63/91/544886391.db2.gz ZBUMYDGHBBDRIG-CQSZACIVSA-N 2 2 298.431 -0.539 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)NCCCN2CCC[NH+](C)CC2)C1 ZINC000673671458 544886396 /nfs/dbraw/zinc/88/63/96/544886396.db2.gz ZBUMYDGHBBDRIG-CQSZACIVSA-N 2 2 298.431 -0.539 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)NCCCN2CCC[N@H+](C)CC2)C1 ZINC000673671458 544886400 /nfs/dbraw/zinc/88/64/00/544886400.db2.gz ZBUMYDGHBBDRIG-CQSZACIVSA-N 2 2 298.431 -0.539 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)NCCCN2CCC[N@@H+](C)CC2)C1 ZINC000673671458 544886404 /nfs/dbraw/zinc/88/64/04/544886404.db2.gz ZBUMYDGHBBDRIG-CQSZACIVSA-N 2 2 298.431 -0.539 20 0 CBADLP CN1CCC[N@H+](CCCNC(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000673671458 544886410 /nfs/dbraw/zinc/88/64/10/544886410.db2.gz ZBUMYDGHBBDRIG-CQSZACIVSA-N 2 2 298.431 -0.539 20 0 CBADLP CN1CCC[N@@H+](CCCNC(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000673671458 544886415 /nfs/dbraw/zinc/88/64/15/544886415.db2.gz ZBUMYDGHBBDRIG-CQSZACIVSA-N 2 2 298.431 -0.539 20 0 CBADLP CN1CCC[NH+](CCCNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000673671458 544886419 /nfs/dbraw/zinc/88/64/19/544886419.db2.gz ZBUMYDGHBBDRIG-CQSZACIVSA-N 2 2 298.431 -0.539 20 0 CBADLP CN1CCC[NH+](CCCNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000673671458 544886423 /nfs/dbraw/zinc/88/64/23/544886423.db2.gz ZBUMYDGHBBDRIG-CQSZACIVSA-N 2 2 298.431 -0.539 20 0 CBADLP C[C@@H](C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)[NH+](C)C ZINC000676390589 544949780 /nfs/dbraw/zinc/94/97/80/544949780.db2.gz ZBYIAJWCUDGTMU-NWDGAFQWSA-N 2 2 255.362 -0.130 20 0 CBADLP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@@H]1C[N@H+](C)CCO1 ZINC000676402067 544950687 /nfs/dbraw/zinc/95/06/87/544950687.db2.gz IZGVKXDRYMQFFA-MNOVXSKESA-N 2 2 252.318 -0.282 20 0 CBADLP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676402067 544950692 /nfs/dbraw/zinc/95/06/92/544950692.db2.gz IZGVKXDRYMQFFA-MNOVXSKESA-N 2 2 252.318 -0.282 20 0 CBADLP O=C1C[C@@H]([NH2+]Cc2cn[nH]c2)CN1CC[NH+]1CCOCC1 ZINC000676419119 544951699 /nfs/dbraw/zinc/95/16/99/544951699.db2.gz RCMXSIKFCPKCBA-CYBMUJFWSA-N 2 2 293.371 -0.568 20 0 CBADLP COC[C@@](C)(O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000674765252 544913164 /nfs/dbraw/zinc/91/31/64/544913164.db2.gz WWUNSISNBQISEG-SWLSCSKDSA-N 2 2 299.415 -0.332 20 0 CBADLP COC[C@@](C)(O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000674765252 544913170 /nfs/dbraw/zinc/91/31/70/544913170.db2.gz WWUNSISNBQISEG-SWLSCSKDSA-N 2 2 299.415 -0.332 20 0 CBADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCCN(C)S(C)(=O)=O ZINC000674878366 544919419 /nfs/dbraw/zinc/91/94/19/544919419.db2.gz HBGVEPIFNUWLPY-WDEREUQCSA-N 2 2 263.407 -0.192 20 0 CBADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCN(C)S(C)(=O)=O ZINC000674878366 544919424 /nfs/dbraw/zinc/91/94/24/544919424.db2.gz HBGVEPIFNUWLPY-WDEREUQCSA-N 2 2 263.407 -0.192 20 0 CBADLP C[C@@H](NC(=O)NCc1[nH+]ccn1C)[C@H]1C[N@H+](C)CCO1 ZINC000676245396 544945865 /nfs/dbraw/zinc/94/58/65/544945865.db2.gz ILLJSJKMFIGRMZ-GHMZBOCLSA-N 2 2 281.360 -0.062 20 0 CBADLP C[C@@H](NC(=O)NCc1[nH+]ccn1C)[C@H]1C[N@@H+](C)CCO1 ZINC000676245396 544945867 /nfs/dbraw/zinc/94/58/67/544945867.db2.gz ILLJSJKMFIGRMZ-GHMZBOCLSA-N 2 2 281.360 -0.062 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1CC[NH2+]C1 ZINC000659436801 420419506 /nfs/dbraw/zinc/41/95/06/420419506.db2.gz YPMMKMXPUGYVEF-MNOVXSKESA-N 2 2 256.350 -0.632 20 0 CBADLP C[NH2+]C[C@@H](C)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659357446 420414731 /nfs/dbraw/zinc/41/47/31/420414731.db2.gz HVHJLYXXNLFEKW-VXGBXAGGSA-N 2 2 255.362 -0.225 20 0 CBADLP CC(C)OC[C@H]([NH3+])C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659359115 420416259 /nfs/dbraw/zinc/41/62/59/420416259.db2.gz WNJMYYSACWZHIM-STQMWFEESA-N 2 2 285.388 -0.328 20 0 CBADLP CNC(=O)NCC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000677741531 544982745 /nfs/dbraw/zinc/98/27/45/544982745.db2.gz LKYWQIQTSCJBEW-LLVKDONJSA-N 2 2 297.403 -0.800 20 0 CBADLP CNC(=O)NCC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000677741531 544982748 /nfs/dbraw/zinc/98/27/48/544982748.db2.gz LKYWQIQTSCJBEW-LLVKDONJSA-N 2 2 297.403 -0.800 20 0 CBADLP O=C(C[NH2+]C[C@@H]1CCCO1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659359247 420416878 /nfs/dbraw/zinc/41/68/78/420416878.db2.gz XKAVCIXJYYOFHX-KGLIPLIRSA-N 2 2 297.399 -0.312 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000677862132 544986905 /nfs/dbraw/zinc/98/69/05/544986905.db2.gz BQQIKIAJMGXNQP-CHWSQXEVSA-N 2 2 277.372 -0.222 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000677862132 544986907 /nfs/dbraw/zinc/98/69/07/544986907.db2.gz BQQIKIAJMGXNQP-CHWSQXEVSA-N 2 2 277.372 -0.222 20 0 CBADLP COC[C@@H](O)C[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000678081741 545013103 /nfs/dbraw/zinc/01/31/03/545013103.db2.gz YMFPNQSHIKTMGT-QWHCGFSZSA-N 2 2 285.388 -0.592 20 0 CBADLP COC[C@@H](O)C[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000678081741 545013105 /nfs/dbraw/zinc/01/31/05/545013105.db2.gz YMFPNQSHIKTMGT-QWHCGFSZSA-N 2 2 285.388 -0.592 20 0 CBADLP CCOC[C@H](O)C[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000678081972 545013152 /nfs/dbraw/zinc/01/31/52/545013152.db2.gz ZMHVMYQLAOBXLC-KGLIPLIRSA-N 2 2 299.415 -0.202 20 0 CBADLP CCOC[C@H](O)C[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000678081972 545013155 /nfs/dbraw/zinc/01/31/55/545013155.db2.gz ZMHVMYQLAOBXLC-KGLIPLIRSA-N 2 2 299.415 -0.202 20 0 CBADLP O=C(NC[C@H]1CCC[NH2+]1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659515104 420427468 /nfs/dbraw/zinc/42/74/68/420427468.db2.gz HTUIIVHBNGUVCJ-OLZOCXBDSA-N 2 2 282.388 -0.146 20 0 CBADLP [NH3+][C@@H](CNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)C1CC1 ZINC000659527816 420428354 /nfs/dbraw/zinc/42/83/54/420428354.db2.gz NWVMRDFHBRMLGG-OLZOCXBDSA-N 2 2 282.388 -0.160 20 0 CBADLP Cc1nc(N)c(CNC(=O)[C@H]2C[N@H+](C)CCO2)c[nH+]1 ZINC000556842154 420429824 /nfs/dbraw/zinc/42/98/24/420429824.db2.gz VCVLYRXPQKTESV-SNVBAGLBSA-N 2 2 265.317 -0.686 20 0 CBADLP Cc1nc(N)c(CNC(=O)[C@H]2C[N@@H+](C)CCO2)c[nH+]1 ZINC000556842154 420429826 /nfs/dbraw/zinc/42/98/26/420429826.db2.gz VCVLYRXPQKTESV-SNVBAGLBSA-N 2 2 265.317 -0.686 20 0 CBADLP O=C1C[C@H]([NH2+]C2CSC2)CN1CC[NH+]1CCOCC1 ZINC000679625566 545031092 /nfs/dbraw/zinc/03/10/92/545031092.db2.gz FPZXZXIUTAWLLU-NSHDSACASA-N 2 2 285.413 -0.376 20 0 CBADLP C[C@@H]([NH3+])CNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659537099 420431380 /nfs/dbraw/zinc/43/13/80/420431380.db2.gz JJINWKPWZLRQDH-GHMZBOCLSA-N 2 2 256.350 -0.550 20 0 CBADLP Cc1cn2c([nH+]1)CN(C(=O)[C@H]1C[N@@H+]3CCN1CCC3)CC2 ZINC000679909028 545034172 /nfs/dbraw/zinc/03/41/72/545034172.db2.gz QSNNPSYBDUWSRJ-CYBMUJFWSA-N 2 2 289.383 -0.076 20 0 CBADLP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000659547710 420432216 /nfs/dbraw/zinc/43/22/16/420432216.db2.gz MRVWNDWCBYZRLH-NDBYEHHHSA-N 2 2 280.372 -0.680 20 0 CBADLP COC1(C[NH2+]CC(=O)N2CC[NH+](C)CC2)CCOCC1 ZINC000683202730 545063466 /nfs/dbraw/zinc/06/34/66/545063466.db2.gz KOAJYFHTMRCCQJ-UHFFFAOYSA-N 2 2 285.388 -0.454 20 0 CBADLP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000659752048 420467928 /nfs/dbraw/zinc/46/79/28/420467928.db2.gz KSPYYMCJUTXTKK-NSHDSACASA-N 2 2 293.371 -0.229 20 0 CBADLP C[C@@H](O)CNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000683417619 545064662 /nfs/dbraw/zinc/06/46/62/545064662.db2.gz BINFDUCRMSQCOG-VXGBXAGGSA-N 2 2 284.404 -0.165 20 0 CBADLP C[C@@H](O)CNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000683417619 545064663 /nfs/dbraw/zinc/06/46/63/545064663.db2.gz BINFDUCRMSQCOG-VXGBXAGGSA-N 2 2 284.404 -0.165 20 0 CBADLP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000659753786 420468135 /nfs/dbraw/zinc/46/81/35/420468135.db2.gz NHJVMBICOBUNHP-SNVBAGLBSA-N 2 2 268.361 -0.983 20 0 CBADLP [NH3+][C@H]1C[C@@H](C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000579359720 420468173 /nfs/dbraw/zinc/46/81/73/420468173.db2.gz RSLAKUQWRIXYIE-HAQNSBGRSA-N 2 2 293.371 -0.109 20 0 CBADLP CN(C)c1c[nH+]ccc1NC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000681361235 545048002 /nfs/dbraw/zinc/04/80/02/545048002.db2.gz ARYWLGAYUOMFOE-CQSZACIVSA-N 2 2 289.383 -0.102 20 0 CBADLP CN(C)c1c[nH+]ccc1NC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000681361235 545048003 /nfs/dbraw/zinc/04/80/03/545048003.db2.gz ARYWLGAYUOMFOE-CQSZACIVSA-N 2 2 289.383 -0.102 20 0 CBADLP C[C@@H]1CN(C(=O)[C@H]2CCCC[NH+]2C)CC[N@@H+]1CCO ZINC000681763164 545051424 /nfs/dbraw/zinc/05/14/24/545051424.db2.gz XUUKUZVEVWFLGK-CHWSQXEVSA-N 2 2 269.389 -0.004 20 0 CBADLP C[C@@H]1CN(C(=O)[C@H]2CCCC[NH+]2C)CC[N@H+]1CCO ZINC000681763164 545051426 /nfs/dbraw/zinc/05/14/26/545051426.db2.gz XUUKUZVEVWFLGK-CHWSQXEVSA-N 2 2 269.389 -0.004 20 0 CBADLP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)CC[NH+]1CCO ZINC000681763164 545051427 /nfs/dbraw/zinc/05/14/27/545051427.db2.gz XUUKUZVEVWFLGK-CHWSQXEVSA-N 2 2 269.389 -0.004 20 0 CBADLP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)CC[NH+]1CCO ZINC000681763164 545051428 /nfs/dbraw/zinc/05/14/28/545051428.db2.gz XUUKUZVEVWFLGK-CHWSQXEVSA-N 2 2 269.389 -0.004 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](CCO)C(C)(C)C2)C1 ZINC000682006528 545052663 /nfs/dbraw/zinc/05/26/63/545052663.db2.gz MDXRCUKGVVQDEQ-GFCCVEGCSA-N 2 2 285.388 -0.768 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](CCO)C(C)(C)C2)C1 ZINC000682006528 545052664 /nfs/dbraw/zinc/05/26/64/545052664.db2.gz MDXRCUKGVVQDEQ-GFCCVEGCSA-N 2 2 285.388 -0.768 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)N2CC[N@H+](CCO)C(C)(C)C2)C1 ZINC000682006528 545052665 /nfs/dbraw/zinc/05/26/65/545052665.db2.gz MDXRCUKGVVQDEQ-GFCCVEGCSA-N 2 2 285.388 -0.768 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)C1 ZINC000682006528 545052666 /nfs/dbraw/zinc/05/26/66/545052666.db2.gz MDXRCUKGVVQDEQ-GFCCVEGCSA-N 2 2 285.388 -0.768 20 0 CBADLP C[NH2+]C[C@H](C)NC(=O)N(C)CC[NH+]1CCOCC1 ZINC000659635116 420440381 /nfs/dbraw/zinc/44/03/81/420440381.db2.gz AMFNLZYGERYQAL-NSHDSACASA-N 2 2 258.366 -0.432 20 0 CBADLP CN(CC(C)(C)[NH3+])C(=O)C(=O)NCCCCn1cc[nH+]c1 ZINC000659675879 420446193 /nfs/dbraw/zinc/44/61/93/420446193.db2.gz ZGKOCJJYFSTMBQ-UHFFFAOYSA-N 2 2 295.387 -0.025 20 0 CBADLP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000659695497 420450631 /nfs/dbraw/zinc/45/06/31/420450631.db2.gz YVTXAINFCMLKBB-SNVBAGLBSA-N 2 2 293.371 -0.512 20 0 CBADLP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000659703445 420453213 /nfs/dbraw/zinc/45/32/13/420453213.db2.gz BYQFXKQBIPTDIT-UWVGGRQHSA-N 2 2 267.333 -0.888 20 0 CBADLP COc1c(N)[nH+]cnc1NC[C@@H]1CCC[N@@H+]1CCCO ZINC000577650355 420464782 /nfs/dbraw/zinc/46/47/82/420464782.db2.gz OMZWNULRZDKQGN-JTQLQIEISA-N 2 2 281.360 0.326 20 0 CBADLP COc1c(N)[nH+]cnc1NC[C@@H]1CCC[N@H+]1CCCO ZINC000577650355 420464785 /nfs/dbraw/zinc/46/47/85/420464785.db2.gz OMZWNULRZDKQGN-JTQLQIEISA-N 2 2 281.360 0.326 20 0 CBADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1CS(N)(=O)=O ZINC000660075154 420483128 /nfs/dbraw/zinc/48/31/28/420483128.db2.gz BYHRWLPICZDIFY-VXGBXAGGSA-N 2 2 293.433 -0.560 20 0 CBADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1CS(N)(=O)=O ZINC000660075154 420483132 /nfs/dbraw/zinc/48/31/32/420483132.db2.gz BYHRWLPICZDIFY-VXGBXAGGSA-N 2 2 293.433 -0.560 20 0 CBADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000660075154 420483134 /nfs/dbraw/zinc/48/31/34/420483134.db2.gz BYHRWLPICZDIFY-VXGBXAGGSA-N 2 2 293.433 -0.560 20 0 CBADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000660075154 420483136 /nfs/dbraw/zinc/48/31/36/420483136.db2.gz BYHRWLPICZDIFY-VXGBXAGGSA-N 2 2 293.433 -0.560 20 0 CBADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000660466845 420491623 /nfs/dbraw/zinc/49/16/23/420491623.db2.gz JDKWUFACOFDIKO-JHJVBQTASA-N 2 2 269.389 -0.102 20 0 CBADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000660466845 420491625 /nfs/dbraw/zinc/49/16/25/420491625.db2.gz JDKWUFACOFDIKO-JHJVBQTASA-N 2 2 269.389 -0.102 20 0 CBADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000660466845 420491627 /nfs/dbraw/zinc/49/16/27/420491627.db2.gz JDKWUFACOFDIKO-JHJVBQTASA-N 2 2 269.389 -0.102 20 0 CBADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000660466845 420491628 /nfs/dbraw/zinc/49/16/28/420491628.db2.gz JDKWUFACOFDIKO-JHJVBQTASA-N 2 2 269.389 -0.102 20 0 CBADLP CC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)[C@@H]1CCNC1=O ZINC000660475330 420492007 /nfs/dbraw/zinc/49/20/07/420492007.db2.gz BCDYKVANVOBSLU-NWDGAFQWSA-N 2 2 257.378 -0.102 20 0 CBADLP CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)[C@@H]1CCNC1=O ZINC000660475330 420492008 /nfs/dbraw/zinc/49/20/08/420492008.db2.gz BCDYKVANVOBSLU-NWDGAFQWSA-N 2 2 257.378 -0.102 20 0 CBADLP CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)[C@@H]1CCNC1=O ZINC000660475330 420492010 /nfs/dbraw/zinc/49/20/10/420492010.db2.gz BCDYKVANVOBSLU-NWDGAFQWSA-N 2 2 257.378 -0.102 20 0 CBADLP CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)[C@@H]1CCNC1=O ZINC000660475330 420492011 /nfs/dbraw/zinc/49/20/11/420492011.db2.gz BCDYKVANVOBSLU-NWDGAFQWSA-N 2 2 257.378 -0.102 20 0 CBADLP NC(=O)c1cccc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c1 ZINC000517395452 260182705 /nfs/dbraw/zinc/18/27/05/260182705.db2.gz JALURSUGCVNHMS-STQMWFEESA-N 2 2 288.351 -0.471 20 0 CBADLP NC(=O)c1cccc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c1 ZINC000517395452 260182707 /nfs/dbraw/zinc/18/27/07/260182707.db2.gz JALURSUGCVNHMS-STQMWFEESA-N 2 2 288.351 -0.471 20 0 CBADLP CC(C)Cn1cc[nH+]c1CNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000517965493 260328082 /nfs/dbraw/zinc/32/80/82/260328082.db2.gz NQPZRGITOZAKRL-NSHDSACASA-N 2 2 293.371 -0.367 20 0 CBADLP CC[NH+](CC)CC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000082983897 260345541 /nfs/dbraw/zinc/34/55/41/260345541.db2.gz YRXWLIQJBRUNJZ-CYBMUJFWSA-N 2 2 287.404 -0.520 20 0 CBADLP CC1(C)C[NH+](CC(=O)NC[C@@]2(O)C[NH+]3CCC2CC3)C1 ZINC000521067073 260364694 /nfs/dbraw/zinc/36/46/94/260364694.db2.gz YDLQHJNLJKHSEV-OAHLLOKOSA-N 2 2 281.400 -0.099 20 0 CBADLP CO[C@@H](C[NH3+])CC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000518371695 260386563 /nfs/dbraw/zinc/38/65/63/260386563.db2.gz FJYAJRIRUPHBSN-GFCCVEGCSA-N 2 2 293.371 -0.203 20 0 CBADLP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CN1CC[NH2+]CC1=O ZINC000518973442 265266438 /nfs/dbraw/zinc/26/64/38/265266438.db2.gz WTLIRGCTDUKZBB-NEPJUHHUSA-N 2 2 282.388 -0.783 20 0 CBADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)CN1CC[NH2+]CC1=O ZINC000518973442 265266439 /nfs/dbraw/zinc/26/64/39/265266439.db2.gz WTLIRGCTDUKZBB-NEPJUHHUSA-N 2 2 282.388 -0.783 20 0 CBADLP CC1(C)CN(C(=O)C(=O)N2CC[NH+](C3CC3)CC2)CC[NH2+]1 ZINC000520394205 265789593 /nfs/dbraw/zinc/78/95/93/265789593.db2.gz UOQZOVPPFAJBNH-UHFFFAOYSA-N 2 2 294.399 -0.497 20 0 CBADLP O=C(NCC[NH+]1CCOCC1)NC[C@H]1CCC[NH2+]1 ZINC000258010925 269582990 /nfs/dbraw/zinc/58/29/90/269582990.db2.gz FKENPBPTNKSQTN-LLVKDONJSA-N 2 2 256.350 -0.630 20 0 CBADLP C[C@@H]1CCC[N@H+](Cc2cc(=O)n(C)c(=O)n2C)[C@H]1C[NH3+] ZINC000252173058 274291363 /nfs/dbraw/zinc/29/13/63/274291363.db2.gz OIXRIJZRRKDGQP-PWSUYJOCSA-N 2 2 280.372 -0.357 20 0 CBADLP C[C@@H]1CCC[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)[C@H]1C[NH3+] ZINC000252173058 274291364 /nfs/dbraw/zinc/29/13/64/274291364.db2.gz OIXRIJZRRKDGQP-PWSUYJOCSA-N 2 2 280.372 -0.357 20 0 CBADLP Cc1nc(N[C@H](CO)C[NH+](C)C)nc(N(C)C)[nH+]1 ZINC000685262214 545080210 /nfs/dbraw/zinc/08/02/10/545080210.db2.gz OSQIBHKOZNZJJQ-VIFPVBQESA-N 2 2 254.338 -0.420 20 0 CBADLP CC(C)[C@@H]([NH3+])C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000353173167 275984130 /nfs/dbraw/zinc/98/41/30/275984130.db2.gz MNAYUIBGXSALRI-SNVBAGLBSA-N 2 2 270.377 -0.622 20 0 CBADLP CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000423153145 287863174 /nfs/dbraw/zinc/86/31/74/287863174.db2.gz GEYILDXPCIBMIZ-HBNTYKKESA-N 2 2 263.407 -0.098 20 0 CBADLP CC[N@H+](CCO)CCNC(=O)/C=C\c1[nH]cc[nH+]1 ZINC000493110391 276132855 /nfs/dbraw/zinc/13/28/55/276132855.db2.gz ABVUUSCGYXRUSK-ARJAWSKDSA-N 2 2 252.318 -0.147 20 0 CBADLP CC[N@@H+](CCO)CCNC(=O)/C=C\c1[nH]cc[nH+]1 ZINC000493110391 276132857 /nfs/dbraw/zinc/13/28/57/276132857.db2.gz ABVUUSCGYXRUSK-ARJAWSKDSA-N 2 2 252.318 -0.147 20 0 CBADLP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178969862 276159244 /nfs/dbraw/zinc/15/92/44/276159244.db2.gz BFSPSJRGAYJWGT-KGLIPLIRSA-N 2 2 280.416 -0.023 20 0 CBADLP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178969862 276159246 /nfs/dbraw/zinc/15/92/46/276159246.db2.gz BFSPSJRGAYJWGT-KGLIPLIRSA-N 2 2 280.416 -0.023 20 0 CBADLP CN1CCN(c2cc(N3CC([NH+](C)C)C3)nc[nH+]2)CC1=O ZINC000274907549 276775246 /nfs/dbraw/zinc/77/52/46/276775246.db2.gz MJRSJCHVTCTFMH-UHFFFAOYSA-N 2 2 290.371 -0.495 20 0 CBADLP COCC(=O)NC1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000685561388 545081727 /nfs/dbraw/zinc/08/17/27/545081727.db2.gz HQABYWBQSUYNSY-CQSZACIVSA-N 2 2 299.415 -0.332 20 0 CBADLP COCC(=O)NC1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000685561388 545081729 /nfs/dbraw/zinc/08/17/29/545081729.db2.gz HQABYWBQSUYNSY-CQSZACIVSA-N 2 2 299.415 -0.332 20 0 CBADLP COCC[NH+]1CCC([NH2+][C@H]2CCCNC2=O)CC1 ZINC000330674181 277219697 /nfs/dbraw/zinc/21/96/97/277219697.db2.gz HYKQYXSYCQIVRC-LBPRGKRZSA-N 2 2 255.362 -0.035 20 0 CBADLP COC(=O)C[C@@]1([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)CCOC1 ZINC000351597511 277327846 /nfs/dbraw/zinc/32/78/46/277327846.db2.gz BAVMGPJNTUHSGH-OCCSQVGLSA-N 2 2 286.372 -0.247 20 0 CBADLP COC(=O)C[C@@]1([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)CCOC1 ZINC000351597511 277327847 /nfs/dbraw/zinc/32/78/47/277327847.db2.gz BAVMGPJNTUHSGH-OCCSQVGLSA-N 2 2 286.372 -0.247 20 0 CBADLP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@@H](C)[NH+]1C ZINC000358704885 288002897 /nfs/dbraw/zinc/00/28/97/288002897.db2.gz ATDXCARBELOCSC-IJLUTSLNSA-N 2 2 255.362 -0.132 20 0 CBADLP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@@H](C)[NH+]1C ZINC000358704885 288002901 /nfs/dbraw/zinc/00/29/01/288002901.db2.gz ATDXCARBELOCSC-IJLUTSLNSA-N 2 2 255.362 -0.132 20 0 CBADLP CSCC[C@@H]([NH3+])C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000131197806 278131399 /nfs/dbraw/zinc/13/13/99/278131399.db2.gz PDRZFRMGNQXGTF-VXGBXAGGSA-N 2 2 287.429 0.000 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150766481 278148915 /nfs/dbraw/zinc/14/89/15/278148915.db2.gz RJLJBTXITXWSMS-GHMZBOCLSA-N 2 2 268.361 -0.013 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150766481 278148917 /nfs/dbraw/zinc/14/89/17/278148917.db2.gz RJLJBTXITXWSMS-GHMZBOCLSA-N 2 2 268.361 -0.013 20 0 CBADLP CC(=O)N[C@H]1CCCN(C(=O)C[NH2+]CC2([NH3+])CCC2)C1 ZINC000342135130 278177529 /nfs/dbraw/zinc/17/75/29/278177529.db2.gz GTOKEEMBZFYNPK-LBPRGKRZSA-N 2 2 282.388 -0.416 20 0 CBADLP C[C@@H](C(=O)N(C)C)[NH+]1CCC(N2CC[N@H+](C)CC2=O)CC1 ZINC000371647313 278182903 /nfs/dbraw/zinc/18/29/03/278182903.db2.gz RUCCETRXEBNTFD-LBPRGKRZSA-N 2 2 296.415 -0.299 20 0 CBADLP C[C@@H](C(=O)N(C)C)[NH+]1CCC(N2CC[N@@H+](C)CC2=O)CC1 ZINC000371647313 278182904 /nfs/dbraw/zinc/18/29/04/278182904.db2.gz RUCCETRXEBNTFD-LBPRGKRZSA-N 2 2 296.415 -0.299 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000341667321 278193099 /nfs/dbraw/zinc/19/30/99/278193099.db2.gz SADFVNYEBZNJQY-ZIAGYGMSSA-N 2 2 296.415 -0.929 20 0 CBADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000346298488 278278748 /nfs/dbraw/zinc/27/87/48/278278748.db2.gz WCHSGPBZKCLYAO-RYUDHWBXSA-N 2 2 296.415 -0.088 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000362866295 288083864 /nfs/dbraw/zinc/08/38/64/288083864.db2.gz ICOGGJLWYFGGGU-NEPJUHHUSA-N 2 2 296.415 -0.408 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000362866295 288083865 /nfs/dbraw/zinc/08/38/65/288083865.db2.gz ICOGGJLWYFGGGU-NEPJUHHUSA-N 2 2 296.415 -0.408 20 0 CBADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC000072858621 279037115 /nfs/dbraw/zinc/03/71/15/279037115.db2.gz DVVXQRDNVLUTTR-UWVGGRQHSA-N 2 2 256.350 -0.157 20 0 CBADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC000072858621 279037116 /nfs/dbraw/zinc/03/71/16/279037116.db2.gz DVVXQRDNVLUTTR-UWVGGRQHSA-N 2 2 256.350 -0.157 20 0 CBADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC000072858621 279037111 /nfs/dbraw/zinc/03/71/11/279037111.db2.gz DVVXQRDNVLUTTR-UWVGGRQHSA-N 2 2 256.350 -0.157 20 0 CBADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC000072858621 279037114 /nfs/dbraw/zinc/03/71/14/279037114.db2.gz DVVXQRDNVLUTTR-UWVGGRQHSA-N 2 2 256.350 -0.157 20 0 CBADLP CC[NH+](CC)C[C@@H](C)NC(=O)CN1CC[NH2+]CC1=O ZINC000431047186 279115012 /nfs/dbraw/zinc/11/50/12/279115012.db2.gz AXVJCEODODVBQA-LLVKDONJSA-N 2 2 270.377 -0.735 20 0 CBADLP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000420153794 279509225 /nfs/dbraw/zinc/50/92/25/279509225.db2.gz HLQABOMEWMTDEB-LLVKDONJSA-N 2 2 282.388 -0.593 20 0 CBADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)C[NH+](C)C ZINC000367426464 279953449 /nfs/dbraw/zinc/95/34/49/279953449.db2.gz OUUDOMMYDWFZBE-NWDGAFQWSA-N 2 2 255.362 -0.130 20 0 CBADLP O=C1NCC[C@@H]1[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000336736601 280290416 /nfs/dbraw/zinc/29/04/16/280290416.db2.gz YTKUBUCHRNZFEX-RYUDHWBXSA-N 2 2 253.346 -0.471 20 0 CBADLP O=C1NCC[C@@H]1[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000336736601 280290418 /nfs/dbraw/zinc/29/04/18/280290418.db2.gz YTKUBUCHRNZFEX-RYUDHWBXSA-N 2 2 253.346 -0.471 20 0 CBADLP CC1(C)COCC[N@@H+]1CCNC(=O)NCCC[NH3+] ZINC000417503536 281285602 /nfs/dbraw/zinc/28/56/02/281285602.db2.gz KURKZJJHDJMRGX-UHFFFAOYSA-N 2 2 258.366 -0.255 20 0 CBADLP CC1(C)COCC[N@H+]1CCNC(=O)NCCC[NH3+] ZINC000417503536 281285603 /nfs/dbraw/zinc/28/56/03/281285603.db2.gz KURKZJJHDJMRGX-UHFFFAOYSA-N 2 2 258.366 -0.255 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C[C@H]1COCC[NH2+]1 ZINC000262466292 288346815 /nfs/dbraw/zinc/34/68/15/288346815.db2.gz XWBHSTLSCAOMKD-NEPJUHHUSA-N 2 2 271.361 -0.798 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C[C@H]1COCC[NH2+]1 ZINC000262466292 288346819 /nfs/dbraw/zinc/34/68/19/288346819.db2.gz XWBHSTLSCAOMKD-NEPJUHHUSA-N 2 2 271.361 -0.798 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C[C@@H]1COCC[NH2+]1 ZINC000262466303 288347099 /nfs/dbraw/zinc/34/70/99/288347099.db2.gz XWBHSTLSCAOMKD-VXGBXAGGSA-N 2 2 271.361 -0.798 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C[C@@H]1COCC[NH2+]1 ZINC000262466303 288347100 /nfs/dbraw/zinc/34/71/00/288347100.db2.gz XWBHSTLSCAOMKD-VXGBXAGGSA-N 2 2 271.361 -0.798 20 0 CBADLP C[NH+](C)C1CC[NH+](CCNC(=O)CCC[NH3+])CC1 ZINC000430772400 282050866 /nfs/dbraw/zinc/05/08/66/282050866.db2.gz LSLRFIPNJPRQMI-UHFFFAOYSA-N 3 2 256.394 -0.133 20 0 CBADLP C[NH+](C)CCNC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000342681222 289160833 /nfs/dbraw/zinc/16/08/33/289160833.db2.gz QKMWIMCMPNTKDR-UHFFFAOYSA-N 2 2 272.393 -0.042 20 0 CBADLP C[NH+](C)CCNC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000342681222 289160836 /nfs/dbraw/zinc/16/08/36/289160836.db2.gz QKMWIMCMPNTKDR-UHFFFAOYSA-N 2 2 272.393 -0.042 20 0 CBADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CC(=O)NC(N)=O ZINC000441185311 289333866 /nfs/dbraw/zinc/33/38/66/289333866.db2.gz ZNBIDQMJCSUOKX-VWYCJHECSA-N 2 2 284.360 -0.635 20 0 CBADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CC(=O)NC(N)=O ZINC000441185311 289333869 /nfs/dbraw/zinc/33/38/69/289333869.db2.gz ZNBIDQMJCSUOKX-VWYCJHECSA-N 2 2 284.360 -0.635 20 0 CBADLP C[C@H](C[NH3+])C(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000262336344 289528888 /nfs/dbraw/zinc/52/88/88/289528888.db2.gz HIPDZGTXBPYLHD-IJLUTSLNSA-N 2 2 255.362 -0.240 20 0 CBADLP C[N@@H+]1CCC[C@]2(CC[NH+](CC(=O)NC(N)=O)C2)C1 ZINC000331657733 290004018 /nfs/dbraw/zinc/00/40/18/290004018.db2.gz OMZHKHIALUWZML-LBPRGKRZSA-N 2 2 254.334 -0.401 20 0 CBADLP C[N@H+]1CCC[C@]2(CC[NH+](CC(=O)NC(N)=O)C2)C1 ZINC000331657733 290004020 /nfs/dbraw/zinc/00/40/20/290004020.db2.gz OMZHKHIALUWZML-LBPRGKRZSA-N 2 2 254.334 -0.401 20 0 CBADLP C[NH+]1CCC[C@]2(CC[N@H+](CC(=O)NC(N)=O)C2)C1 ZINC000331657733 290004024 /nfs/dbraw/zinc/00/40/24/290004024.db2.gz OMZHKHIALUWZML-LBPRGKRZSA-N 2 2 254.334 -0.401 20 0 CBADLP C[NH+]1CCC[C@]2(CC[N@@H+](CC(=O)NC(N)=O)C2)C1 ZINC000331657733 290004026 /nfs/dbraw/zinc/00/40/26/290004026.db2.gz OMZHKHIALUWZML-LBPRGKRZSA-N 2 2 254.334 -0.401 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@@]23CCOC3=O)CC1 ZINC000367274692 290010776 /nfs/dbraw/zinc/01/07/76/290010776.db2.gz OFQOIRAFANAHPV-HNNXBMFYSA-N 2 2 295.383 -0.068 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@@]23CCOC3=O)CC1 ZINC000367274692 290010777 /nfs/dbraw/zinc/01/07/77/290010777.db2.gz OFQOIRAFANAHPV-HNNXBMFYSA-N 2 2 295.383 -0.068 20 0 CBADLP CO[C@H](C[NH3+])C(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000353468588 294411528 /nfs/dbraw/zinc/41/15/28/294411528.db2.gz OUXAWPKODDUVEK-IJLUTSLNSA-N 2 2 271.361 -0.861 20 0 CBADLP NC(=O)NC(=O)CC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129667550 295071482 /nfs/dbraw/zinc/07/14/82/295071482.db2.gz DVJMVDPSXITVRP-NSHDSACASA-N 2 2 284.360 -0.775 20 0 CBADLP NC(=O)NC(=O)CC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129667550 295071485 /nfs/dbraw/zinc/07/14/85/295071485.db2.gz DVJMVDPSXITVRP-NSHDSACASA-N 2 2 284.360 -0.775 20 0 CBADLP NC(=O)C1([NH+]2CCN(C(=O)C[NH3+])CC2)CCCCC1 ZINC000361730357 295216600 /nfs/dbraw/zinc/21/66/00/295216600.db2.gz XBKQVPCXACBMSM-UHFFFAOYSA-N 2 2 268.361 -0.723 20 0 CBADLP [NH3+][C@@H]1CC[C@H]2C[N@H+](CC(=O)NCC(=O)N3CCCC3)C[C@H]12 ZINC000351496684 295323343 /nfs/dbraw/zinc/32/33/43/295323343.db2.gz RULRFMPJCVANTJ-RWMBFGLXSA-N 2 2 294.399 -0.606 20 0 CBADLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CC(=O)NCC(=O)N3CCCC3)C[C@H]12 ZINC000351496684 295323346 /nfs/dbraw/zinc/32/33/46/295323346.db2.gz RULRFMPJCVANTJ-RWMBFGLXSA-N 2 2 294.399 -0.606 20 0 CBADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)CC[NH3+])CC1 ZINC000237395885 298011403 /nfs/dbraw/zinc/01/14/03/298011403.db2.gz NYPMPDSHOXTCAG-GFCCVEGCSA-N 2 2 282.388 -0.510 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246754201 298133768 /nfs/dbraw/zinc/13/37/68/298133768.db2.gz HIJMLOSALDZLHX-OUAUKWLOSA-N 2 2 268.361 -0.014 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246754201 298133770 /nfs/dbraw/zinc/13/37/70/298133770.db2.gz HIJMLOSALDZLHX-OUAUKWLOSA-N 2 2 268.361 -0.014 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000246754201 298133771 /nfs/dbraw/zinc/13/37/71/298133771.db2.gz HIJMLOSALDZLHX-OUAUKWLOSA-N 2 2 268.361 -0.014 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000246754201 298133773 /nfs/dbraw/zinc/13/37/73/298133773.db2.gz HIJMLOSALDZLHX-OUAUKWLOSA-N 2 2 268.361 -0.014 20 0 CBADLP C[C@H](NC(=O)C[N@H+](C)C1CC([NH3+])C1)C(=O)N1CCCCC1 ZINC000420331340 299047675 /nfs/dbraw/zinc/04/76/75/299047675.db2.gz MKAAXWYFAFVIBI-HIFPTAJRSA-N 2 2 296.415 -0.075 20 0 CBADLP C[C@H](NC(=O)C[N@@H+](C)C1CC([NH3+])C1)C(=O)N1CCCCC1 ZINC000420331340 299047677 /nfs/dbraw/zinc/04/76/77/299047677.db2.gz MKAAXWYFAFVIBI-HIFPTAJRSA-N 2 2 296.415 -0.075 20 0 CBADLP C[C@H](NC(=O)C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1)C(=O)N(C)C ZINC000430916000 299055239 /nfs/dbraw/zinc/05/52/39/299055239.db2.gz GAFWIWUYFMIHTJ-OUAUKWLOSA-N 2 2 270.377 -0.752 20 0 CBADLP C[C@H](NC(=O)C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1)C(=O)N(C)C ZINC000430916000 299055241 /nfs/dbraw/zinc/05/52/41/299055241.db2.gz GAFWIWUYFMIHTJ-OUAUKWLOSA-N 2 2 270.377 -0.752 20 0 CBADLP C[C@H](NC(=O)C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C)C(=O)N(C)C ZINC000515308271 299055344 /nfs/dbraw/zinc/05/53/44/299055344.db2.gz IMAFJWPKNYOLFH-OUAUKWLOSA-N 2 2 270.377 -0.609 20 0 CBADLP C[C@H](NC(=O)C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C)C(=O)N(C)C ZINC000515308271 299055347 /nfs/dbraw/zinc/05/53/47/299055347.db2.gz IMAFJWPKNYOLFH-OUAUKWLOSA-N 2 2 270.377 -0.609 20 0 CBADLP C[C@H](NC(=O)C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C)C(=O)N(C)C ZINC000515308270 299055369 /nfs/dbraw/zinc/05/53/69/299055369.db2.gz IMAFJWPKNYOLFH-GARJFASQSA-N 2 2 270.377 -0.609 20 0 CBADLP C[C@H](NC(=O)C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C)C(=O)N(C)C ZINC000515308270 299055371 /nfs/dbraw/zinc/05/53/71/299055371.db2.gz IMAFJWPKNYOLFH-GARJFASQSA-N 2 2 270.377 -0.609 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C[C@H]1C[NH2+]CCO1 ZINC000430895571 300346345 /nfs/dbraw/zinc/34/63/45/300346345.db2.gz UYAZBPOURVLOGH-RYUDHWBXSA-N 2 2 271.361 -0.798 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)C[C@H]1C[NH2+]CCO1 ZINC000430895571 300346348 /nfs/dbraw/zinc/34/63/48/300346348.db2.gz UYAZBPOURVLOGH-RYUDHWBXSA-N 2 2 271.361 -0.798 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261774383 300346802 /nfs/dbraw/zinc/34/68/02/300346802.db2.gz MPNKBQWWOGMWKI-TUAOUCFPSA-N 2 2 271.361 -0.670 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261774383 300346807 /nfs/dbraw/zinc/34/68/07/300346807.db2.gz MPNKBQWWOGMWKI-TUAOUCFPSA-N 2 2 271.361 -0.670 20 0 CBADLP [NH3+]C1(C(=O)N2CC[NH+]([C@@H]3CCCCNC3=O)CC2)CC1 ZINC000373086559 303354306 /nfs/dbraw/zinc/35/43/06/303354306.db2.gz DRQPTXHUBUVXMW-LLVKDONJSA-N 2 2 280.372 -0.709 20 0 CBADLP [NH3+]CCCN(CC1CCCC1)C(=O)CN1CC[NH2+]CC1=O ZINC000357357931 303376695 /nfs/dbraw/zinc/37/66/95/303376695.db2.gz UPEKRKLCZYNNET-UHFFFAOYSA-N 2 2 296.415 -0.214 20 0 CBADLP [NH3+][C@@H]1CCC[C@H]1CC(=O)NCC[NH+]1CCOCC1 ZINC000261649687 303466719 /nfs/dbraw/zinc/46/67/19/303466719.db2.gz DLHNFMFSQSHEBN-NWDGAFQWSA-N 2 2 255.362 -0.048 20 0 CBADLP [NH3+][C@H]1CCc2nc(NC(=O)[C@@H]3COCC[NH2+]3)sc2C1 ZINC000343436954 303489697 /nfs/dbraw/zinc/48/96/97/303489697.db2.gz MCYPAKSTTLVCQG-CBAPKCEASA-N 2 2 282.369 -0.114 20 0 CBADLP O=C(NC[C@@H](O)C[NH+]1CCOCC1)C12CCC[NH+]1CCC2 ZINC000370543350 303785458 /nfs/dbraw/zinc/78/54/58/303785458.db2.gz YXKAWUSLBSKZBE-CYBMUJFWSA-N 2 2 297.399 -0.576 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)c1cn(CCC[NH3+])nn1 ZINC000567779314 327817071 /nfs/dbraw/zinc/81/70/71/327817071.db2.gz GVNXFIWLXSPQMI-LLVKDONJSA-N 2 2 296.375 -0.923 20 0 CBADLP COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000563348067 328056628 /nfs/dbraw/zinc/05/66/28/328056628.db2.gz HCPIPOLETONONS-DCAQKATOSA-N 2 2 286.376 -0.341 20 0 CBADLP COC[C@H](C)NC(=O)NC(=O)C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000563348067 328056629 /nfs/dbraw/zinc/05/66/29/328056629.db2.gz HCPIPOLETONONS-DCAQKATOSA-N 2 2 286.376 -0.341 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH2+]C(C)(C)C(=O)N(C)C ZINC000563349582 328057020 /nfs/dbraw/zinc/05/70/20/328057020.db2.gz HLHKTCRUMOGHGT-LLVKDONJSA-N 2 2 275.393 -0.618 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH2+]C(C)(C)C(=O)N(C)C ZINC000563349582 328057021 /nfs/dbraw/zinc/05/70/21/328057021.db2.gz HLHKTCRUMOGHGT-LLVKDONJSA-N 2 2 275.393 -0.618 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)CC(F)(F)C[NH3+] ZINC000563340361 328054817 /nfs/dbraw/zinc/05/48/17/328054817.db2.gz ZQIWEXJVOLGVNY-VIFPVBQESA-N 2 2 265.304 -0.193 20 0 CBADLP [NH3+]CCCNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000563447428 328066102 /nfs/dbraw/zinc/06/61/02/328066102.db2.gz BKOJYCGBOGMFGF-UHFFFAOYSA-N 2 2 261.285 -0.262 20 0 CBADLP COc1cc(CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])ccn1 ZINC000563540435 328073415 /nfs/dbraw/zinc/07/34/15/328073415.db2.gz LXIINXKEHODXCC-LBPRGKRZSA-N 2 2 293.371 -0.126 20 0 CBADLP COc1cc(CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])ccn1 ZINC000563540435 328073417 /nfs/dbraw/zinc/07/34/17/328073417.db2.gz LXIINXKEHODXCC-LBPRGKRZSA-N 2 2 293.371 -0.126 20 0 CBADLP COc1cc(CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])ccn1 ZINC000563540434 328073474 /nfs/dbraw/zinc/07/34/74/328073474.db2.gz LXIINXKEHODXCC-GFCCVEGCSA-N 2 2 293.371 -0.126 20 0 CBADLP COc1cc(CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])ccn1 ZINC000563540434 328073475 /nfs/dbraw/zinc/07/34/75/328073475.db2.gz LXIINXKEHODXCC-GFCCVEGCSA-N 2 2 293.371 -0.126 20 0 CBADLP C[N@@H+]1CCN(C(=O)NCC(=O)N2CCCCC2)[C@H](C[NH3+])C1 ZINC000563545922 328072840 /nfs/dbraw/zinc/07/28/40/328072840.db2.gz UVELQFOHCZIYKO-GFCCVEGCSA-N 2 2 297.403 -0.717 20 0 CBADLP C[N@H+]1CCN(C(=O)NCC(=O)N2CCCCC2)[C@H](C[NH3+])C1 ZINC000563545922 328072841 /nfs/dbraw/zinc/07/28/41/328072841.db2.gz UVELQFOHCZIYKO-GFCCVEGCSA-N 2 2 297.403 -0.717 20 0 CBADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]C[C@H]2COCCO2)C[C@@H](C)O1 ZINC000575740921 328094437 /nfs/dbraw/zinc/09/44/37/328094437.db2.gz GOPHQJKISWKGSA-SYQHCUMBSA-N 2 2 288.388 -0.539 20 0 CBADLP C[C@H](C(=O)NC1CCCC1)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000571299014 328100561 /nfs/dbraw/zinc/10/05/61/328100561.db2.gz JVPDUZCHKZVXMV-RAIGVLPGSA-N 2 2 294.399 -0.323 20 0 CBADLP C[C@H](C(=O)NC1CCCC1)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000571299014 328100563 /nfs/dbraw/zinc/10/05/63/328100563.db2.gz JVPDUZCHKZVXMV-RAIGVLPGSA-N 2 2 294.399 -0.323 20 0 CBADLP COC(=O)[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)C(C)C ZINC000584338967 328127564 /nfs/dbraw/zinc/12/75/64/328127564.db2.gz WYAJSNOMNJWKIJ-ZDUSSCGKSA-N 2 2 285.388 -0.062 20 0 CBADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](CC(=O)NC3CCCC3)CCN2C1=O ZINC000572857081 328138528 /nfs/dbraw/zinc/13/85/28/328138528.db2.gz MZDIEVDARWKGGB-NWDGAFQWSA-N 2 2 280.372 -0.711 20 0 CBADLP CC[N@H+](CCNC[C@@H](O)CN1CC[NH+](C)CC1)C(C)C ZINC000571634488 328151044 /nfs/dbraw/zinc/15/10/44/328151044.db2.gz TXBMUKFFYFMQKW-OAHLLOKOSA-N 2 2 286.464 -0.085 20 0 CBADLP CC[N@@H+](CCNC[C@@H](O)CN1CC[NH+](C)CC1)C(C)C ZINC000571634488 328151045 /nfs/dbraw/zinc/15/10/45/328151045.db2.gz TXBMUKFFYFMQKW-OAHLLOKOSA-N 2 2 286.464 -0.085 20 0 CBADLP CN(C)c1ncc(CN2CC[N@H+](C)C[C@H]2C[NH3+])cn1 ZINC000571643130 328181922 /nfs/dbraw/zinc/18/19/22/328181922.db2.gz ZUHXTLHDWMIRMC-GFCCVEGCSA-N 2 2 264.377 -0.383 20 0 CBADLP CN(C)c1ncc(CN2CC[N@@H+](C)C[C@H]2C[NH3+])cn1 ZINC000571643130 328181924 /nfs/dbraw/zinc/18/19/24/328181924.db2.gz ZUHXTLHDWMIRMC-GFCCVEGCSA-N 2 2 264.377 -0.383 20 0 CBADLP O=C(NCC[NH+]1CCOCC1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000571654018 328214520 /nfs/dbraw/zinc/21/45/20/328214520.db2.gz KTBFZGDWEDQRQF-SNVBAGLBSA-N 2 2 292.330 -0.385 20 0 CBADLP O=C([C@H]1CCCO1)N1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000563887691 328549560 /nfs/dbraw/zinc/54/95/60/328549560.db2.gz LBNJWJBPTPCEPI-CQSZACIVSA-N 2 2 296.415 -0.785 20 0 CBADLP CC1(C)C[NH+](CC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC000565725266 327000397 /nfs/dbraw/zinc/00/03/97/327000397.db2.gz OFXIWWVQZRLXLP-LBPRGKRZSA-N 2 2 296.415 -0.216 20 0 CBADLP CC1(C)C[NH+](CC(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)C1 ZINC000565725266 327000399 /nfs/dbraw/zinc/00/03/99/327000399.db2.gz OFXIWWVQZRLXLP-LBPRGKRZSA-N 2 2 296.415 -0.216 20 0 CBADLP CO[C@@H](CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])C(C)C ZINC000576492207 327033596 /nfs/dbraw/zinc/03/35/96/327033596.db2.gz BLHJISCMTCCVEL-RYUDHWBXSA-N 2 2 272.393 -0.058 20 0 CBADLP CO[C@@H](CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])C(C)C ZINC000576492207 327033598 /nfs/dbraw/zinc/03/35/98/327033598.db2.gz BLHJISCMTCCVEL-RYUDHWBXSA-N 2 2 272.393 -0.058 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)C[C@H]2C[NH2+]CCO2)CCO1 ZINC000584175298 327058587 /nfs/dbraw/zinc/05/85/87/327058587.db2.gz RQUYIYDHKQQWQD-RYUDHWBXSA-N 2 2 271.361 -0.798 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)C[C@H]2C[NH2+]CCO2)CCO1 ZINC000584175298 327058588 /nfs/dbraw/zinc/05/85/88/327058588.db2.gz RQUYIYDHKQQWQD-RYUDHWBXSA-N 2 2 271.361 -0.798 20 0 CBADLP Cn1c[nH+]cc1CCCN1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000584181446 327060995 /nfs/dbraw/zinc/06/09/95/327060995.db2.gz YTXGLVOOGCASIO-STQMWFEESA-N 2 2 252.362 -0.041 20 0 CBADLP CN(C)[C@H]1C[N@H+](CCCc2c[nH+]cn2C)C[C@@H]1O ZINC000584181446 327060997 /nfs/dbraw/zinc/06/09/97/327060997.db2.gz YTXGLVOOGCASIO-STQMWFEESA-N 2 2 252.362 -0.041 20 0 CBADLP CN(C)[C@H]1C[N@@H+](CCCc2c[nH+]cn2C)C[C@@H]1O ZINC000584181446 327060998 /nfs/dbraw/zinc/06/09/98/327060998.db2.gz YTXGLVOOGCASIO-STQMWFEESA-N 2 2 252.362 -0.041 20 0 CBADLP CO[C@@H](C[NH3+])C(=O)N(CC1CC1)C[C@@H]1C[N@H+](C)CCO1 ZINC000576986806 327073963 /nfs/dbraw/zinc/07/39/63/327073963.db2.gz XNNJBRCHFITKQE-STQMWFEESA-N 2 2 285.388 -0.471 20 0 CBADLP CO[C@@H](C[NH3+])C(=O)N(CC1CC1)C[C@@H]1C[N@@H+](C)CCO1 ZINC000576986806 327073964 /nfs/dbraw/zinc/07/39/64/327073964.db2.gz XNNJBRCHFITKQE-STQMWFEESA-N 2 2 285.388 -0.471 20 0 CBADLP COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)CC[NH3+])C1 ZINC000569338378 327079643 /nfs/dbraw/zinc/07/96/43/327079643.db2.gz RPDSMUXOMKFVPM-JTQLQIEISA-N 2 2 257.334 -0.664 20 0 CBADLP COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)CC[NH3+])C1 ZINC000569338378 327079645 /nfs/dbraw/zinc/07/96/45/327079645.db2.gz RPDSMUXOMKFVPM-JTQLQIEISA-N 2 2 257.334 -0.664 20 0 CBADLP COC[C@H](O)C[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000569340304 327098520 /nfs/dbraw/zinc/09/85/20/327098520.db2.gz GRVWXKFRWOMNAV-QNWHQSFQSA-N 2 2 276.377 -0.947 20 0 CBADLP COC[C@H](O)C[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000569340304 327098521 /nfs/dbraw/zinc/09/85/21/327098521.db2.gz GRVWXKFRWOMNAV-QNWHQSFQSA-N 2 2 276.377 -0.947 20 0 CBADLP COC[C@H](O)C[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000569340305 327098634 /nfs/dbraw/zinc/09/86/34/327098634.db2.gz GRVWXKFRWOMNAV-YVECIDJPSA-N 2 2 276.377 -0.947 20 0 CBADLP COC[C@H](O)C[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000569340305 327098635 /nfs/dbraw/zinc/09/86/35/327098635.db2.gz GRVWXKFRWOMNAV-YVECIDJPSA-N 2 2 276.377 -0.947 20 0 CBADLP COCC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000558531333 327101986 /nfs/dbraw/zinc/10/19/86/327101986.db2.gz TYDZVHPNYIITCH-NSHDSACASA-N 2 2 266.345 -0.201 20 0 CBADLP COCC[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000558531333 327101988 /nfs/dbraw/zinc/10/19/88/327101988.db2.gz TYDZVHPNYIITCH-NSHDSACASA-N 2 2 266.345 -0.201 20 0 CBADLP CCOC(=O)C1(O)CC[NH+](C[C@H](O)C[N@H+](C)CC)CC1 ZINC000584240112 327117302 /nfs/dbraw/zinc/11/73/02/327117302.db2.gz XAEPVUWPCZFJQJ-GFCCVEGCSA-N 2 2 288.388 -0.311 20 0 CBADLP CCOC(=O)C1(O)CC[NH+](C[C@H](O)C[N@@H+](C)CC)CC1 ZINC000584240112 327117303 /nfs/dbraw/zinc/11/73/03/327117303.db2.gz XAEPVUWPCZFJQJ-GFCCVEGCSA-N 2 2 288.388 -0.311 20 0 CBADLP C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000569461155 327180875 /nfs/dbraw/zinc/18/08/75/327180875.db2.gz TXDYQNKXYDUOQT-BXUZGUMPSA-N 2 2 278.356 -0.372 20 0 CBADLP C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000569461155 327180876 /nfs/dbraw/zinc/18/08/76/327180876.db2.gz TXDYQNKXYDUOQT-BXUZGUMPSA-N 2 2 278.356 -0.372 20 0 CBADLP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)CN2CC[NH2+]CC2=O)C1 ZINC000569482598 327184306 /nfs/dbraw/zinc/18/43/06/327184306.db2.gz OHJMCRMPUWOWEN-MNOVXSKESA-N 2 2 268.361 -0.996 20 0 CBADLP C[NH2+]C[C@](C)(O)C[NH+]1CCN(Cc2noc(C)n2)CC1 ZINC000573571771 327198639 /nfs/dbraw/zinc/19/86/39/327198639.db2.gz ZOIZBFVWXYEBQZ-ZDUSSCGKSA-N 2 2 283.376 -0.534 20 0 CBADLP CC[NH+](CC)[C@H](C)CNC[C@H](O)C[NH+]1CCN(C)CC1 ZINC000584286631 327218449 /nfs/dbraw/zinc/21/84/49/327218449.db2.gz AHMORNLHKDLWMG-CABCVRRESA-N 2 2 286.464 -0.085 20 0 CBADLP CC[NH+](CC)[C@H](C)CNC[C@H](O)CN1CC[NH+](C)CC1 ZINC000584286631 327218451 /nfs/dbraw/zinc/21/84/51/327218451.db2.gz AHMORNLHKDLWMG-CABCVRRESA-N 2 2 286.464 -0.085 20 0 CBADLP C[NH2+][C@H](C(=O)N1CC[NH2+]C[C@](C)(F)C1)c1cnn(C)c1 ZINC000584290715 327222998 /nfs/dbraw/zinc/22/29/98/327222998.db2.gz AOHGDQAVQVLDBH-AAEUAGOBSA-N 2 2 283.351 -0.159 20 0 CBADLP CN(CCC[NH+](C)C)C(=O)C(=O)NCCn1cc[nH+]c1 ZINC000559435081 327245291 /nfs/dbraw/zinc/24/52/91/327245291.db2.gz VFOVBWMJPHBBSR-UHFFFAOYSA-N 2 2 281.360 -0.591 20 0 CBADLP [NH3+]CCOCC[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000566245211 327257948 /nfs/dbraw/zinc/25/79/48/327257948.db2.gz KSDPYZXPEAUVIR-UHFFFAOYSA-N 2 2 255.322 -0.335 20 0 CBADLP CC(=O)N1CCC[C@H]1C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000577373912 327259289 /nfs/dbraw/zinc/25/92/89/327259289.db2.gz XRYIFTRMVUQREO-NEPJUHHUSA-N 2 2 268.361 -0.901 20 0 CBADLP CC(=O)N1CCC[C@H]1C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000577373912 327259290 /nfs/dbraw/zinc/25/92/90/327259290.db2.gz XRYIFTRMVUQREO-NEPJUHHUSA-N 2 2 268.361 -0.901 20 0 CBADLP CN(CC1CC[NH+](C)CC1)C(=O)CN1CC[NH2+]CC1=O ZINC000566293944 327289673 /nfs/dbraw/zinc/28/96/73/327289673.db2.gz LJTFNAALQBWKTL-UHFFFAOYSA-N 2 2 282.388 -0.782 20 0 CBADLP O=C(NCCc1[nH]cc[nH+]1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000560333806 327300150 /nfs/dbraw/zinc/30/01/50/327300150.db2.gz IKCKEVWQOYSQDO-LLVKDONJSA-N 2 2 263.345 -0.542 20 0 CBADLP O=C(NCCc1[nH]cc[nH+]1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000560333806 327300152 /nfs/dbraw/zinc/30/01/52/327300152.db2.gz IKCKEVWQOYSQDO-LLVKDONJSA-N 2 2 263.345 -0.542 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000574530246 327343715 /nfs/dbraw/zinc/34/37/15/327343715.db2.gz VNBFKYYIYYLDTE-NEPJUHHUSA-N 2 2 293.433 -0.701 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000574530246 327343716 /nfs/dbraw/zinc/34/37/16/327343716.db2.gz VNBFKYYIYYLDTE-NEPJUHHUSA-N 2 2 293.433 -0.701 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000574530246 327343717 /nfs/dbraw/zinc/34/37/17/327343717.db2.gz VNBFKYYIYYLDTE-NEPJUHHUSA-N 2 2 293.433 -0.701 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000574530246 327343718 /nfs/dbraw/zinc/34/37/18/327343718.db2.gz VNBFKYYIYYLDTE-NEPJUHHUSA-N 2 2 293.433 -0.701 20 0 CBADLP COc1nccc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])n1 ZINC000561015364 327358213 /nfs/dbraw/zinc/35/82/13/327358213.db2.gz IQQPTKCUJUIQQU-VIFPVBQESA-N 2 2 280.332 -0.408 20 0 CBADLP COc1nccc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])n1 ZINC000561015364 327358215 /nfs/dbraw/zinc/35/82/15/327358215.db2.gz IQQPTKCUJUIQQU-VIFPVBQESA-N 2 2 280.332 -0.408 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000579229015 327359406 /nfs/dbraw/zinc/35/94/06/327359406.db2.gz WACUFKNCEOZKBG-VXGBXAGGSA-N 2 2 284.404 -0.362 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000579229015 327359407 /nfs/dbraw/zinc/35/94/07/327359407.db2.gz WACUFKNCEOZKBG-VXGBXAGGSA-N 2 2 284.404 -0.362 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000583440160 327365993 /nfs/dbraw/zinc/36/59/93/327365993.db2.gz NPWSUWKBNLLXIE-NEPJUHHUSA-N 2 2 282.388 -0.737 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000583440160 327365995 /nfs/dbraw/zinc/36/59/95/327365995.db2.gz NPWSUWKBNLLXIE-NEPJUHHUSA-N 2 2 282.388 -0.737 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NC[C@H]1CCC[NH+](C)C1 ZINC000561160462 327370598 /nfs/dbraw/zinc/37/05/98/327370598.db2.gz GJZIBQOCPOEAGU-CYBMUJFWSA-N 2 2 298.431 -0.099 20 0 CBADLP CC(C)NC(=O)C[NH+](C)CC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000561160462 327370600 /nfs/dbraw/zinc/37/06/00/327370600.db2.gz GJZIBQOCPOEAGU-CYBMUJFWSA-N 2 2 298.431 -0.099 20 0 CBADLP CC(C)NC(=O)C[NH+](C)CC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000561160462 327370601 /nfs/dbraw/zinc/37/06/01/327370601.db2.gz GJZIBQOCPOEAGU-CYBMUJFWSA-N 2 2 298.431 -0.099 20 0 CBADLP CCO[C@H]1C[C@@H](NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])C1 ZINC000572619419 327393469 /nfs/dbraw/zinc/39/34/69/327393469.db2.gz LUMCDORCGGHMPQ-SDDRHHMPSA-N 2 2 270.377 -0.162 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](C)[C@@H]1CO ZINC000394107738 329099914 /nfs/dbraw/zinc/09/99/14/329099914.db2.gz DXEOJMHACFWXKN-AVGNSLFASA-N 2 2 260.378 -0.372 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](C)[C@@H]1CO ZINC000394107738 329099915 /nfs/dbraw/zinc/09/99/15/329099915.db2.gz DXEOJMHACFWXKN-AVGNSLFASA-N 2 2 260.378 -0.372 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](C)[C@@H]1CO ZINC000394107738 329099917 /nfs/dbraw/zinc/09/99/17/329099917.db2.gz DXEOJMHACFWXKN-AVGNSLFASA-N 2 2 260.378 -0.372 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](C)[C@@H]1CO ZINC000394107738 329099919 /nfs/dbraw/zinc/09/99/19/329099919.db2.gz DXEOJMHACFWXKN-AVGNSLFASA-N 2 2 260.378 -0.372 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)C[C@H]1CCOC1 ZINC000394134363 329106899 /nfs/dbraw/zinc/10/68/99/329106899.db2.gz OXDCTHKWGPHAIH-OLZOCXBDSA-N 2 2 260.378 -0.106 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)C[C@H]1CCOC1 ZINC000394134363 329106901 /nfs/dbraw/zinc/10/69/01/329106901.db2.gz OXDCTHKWGPHAIH-OLZOCXBDSA-N 2 2 260.378 -0.106 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)C[C@H]1CCOC1 ZINC000394134363 329106902 /nfs/dbraw/zinc/10/69/02/329106902.db2.gz OXDCTHKWGPHAIH-OLZOCXBDSA-N 2 2 260.378 -0.106 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)C[C@H]1CCOC1 ZINC000394134363 329106904 /nfs/dbraw/zinc/10/69/04/329106904.db2.gz OXDCTHKWGPHAIH-OLZOCXBDSA-N 2 2 260.378 -0.106 20 0 CBADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC[C@@H](O)C[NH+]1CCOCC1 ZINC000582840622 329276590 /nfs/dbraw/zinc/27/65/90/329276590.db2.gz DNADXUVKQKQYMM-BPLDGKMQSA-N 2 2 283.416 -0.248 20 0 CBADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC[C@@H](O)C[NH+]1CCOCC1 ZINC000582840622 329276592 /nfs/dbraw/zinc/27/65/92/329276592.db2.gz DNADXUVKQKQYMM-BPLDGKMQSA-N 2 2 283.416 -0.248 20 0 CBADLP C[C@H]1CCCN(CC[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)C1 ZINC000582840383 329276645 /nfs/dbraw/zinc/27/66/45/329276645.db2.gz ULDXTQNXLGCBPP-JKSUJKDBSA-N 2 2 298.475 -0.084 20 0 CBADLP C[C@H]1CCC[N@H+](CCNC[C@@H](O)C[NH+]2CCN(C)CC2)C1 ZINC000582840383 329276647 /nfs/dbraw/zinc/27/66/47/329276647.db2.gz ULDXTQNXLGCBPP-JKSUJKDBSA-N 2 2 298.475 -0.084 20 0 CBADLP C[C@H]1CCC[N@@H+](CCNC[C@@H](O)C[NH+]2CCN(C)CC2)C1 ZINC000582840383 329276650 /nfs/dbraw/zinc/27/66/50/329276650.db2.gz ULDXTQNXLGCBPP-JKSUJKDBSA-N 2 2 298.475 -0.084 20 0 CBADLP COC(=O)C[C@H]([NH3+])C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000582843402 329277217 /nfs/dbraw/zinc/27/72/17/329277217.db2.gz AHHBVXNULVGVGV-LBPRGKRZSA-N 2 2 299.371 -0.800 20 0 CBADLP Cc1csc(=O)n1CC[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000582856408 329281198 /nfs/dbraw/zinc/28/11/98/329281198.db2.gz ADQDOJIHARYNEI-MNOVXSKESA-N 2 2 296.396 -0.538 20 0 CBADLP Cc1csc(=O)n1CC[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000582856408 329281199 /nfs/dbraw/zinc/28/11/99/329281199.db2.gz ADQDOJIHARYNEI-MNOVXSKESA-N 2 2 296.396 -0.538 20 0 CBADLP CCOC[C@H](O)C[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000582905062 329284069 /nfs/dbraw/zinc/28/40/69/329284069.db2.gz AMPJJPQLLZKEFS-QWHCGFSZSA-N 2 2 260.378 -0.180 20 0 CBADLP CCOC[C@H](O)C[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000582905062 329284071 /nfs/dbraw/zinc/28/40/71/329284071.db2.gz AMPJJPQLLZKEFS-QWHCGFSZSA-N 2 2 260.378 -0.180 20 0 CBADLP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000583032338 329305132 /nfs/dbraw/zinc/30/51/32/329305132.db2.gz LNKAZLAVFQUCPT-NSHDSACASA-N 2 2 272.374 -0.285 20 0 CBADLP Cn1c[nH+]cc1CCC[N@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000583032338 329305134 /nfs/dbraw/zinc/30/51/34/329305134.db2.gz LNKAZLAVFQUCPT-NSHDSACASA-N 2 2 272.374 -0.285 20 0 CBADLP CC[C@H](O)C[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000583812402 329482012 /nfs/dbraw/zinc/48/20/12/329482012.db2.gz GAAODOTYAHIPPL-NDBYEHHHSA-N 2 2 260.378 -0.183 20 0 CBADLP [NH3+]C[C@@H]1CCCN1C(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000583866078 329520130 /nfs/dbraw/zinc/52/01/30/329520130.db2.gz QJCIYUWFESVJRN-LBPRGKRZSA-N 2 2 280.372 -0.757 20 0 CBADLP C[C@H](O)C[NH+]1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC000572434352 330081606 /nfs/dbraw/zinc/08/16/06/330081606.db2.gz QTFPZEDOTBNQCS-NSHDSACASA-N 2 2 266.345 -0.512 20 0 CBADLP CO[C@H]1C[NH2+][C@@H](C(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000575409040 335101399 /nfs/dbraw/zinc/10/13/99/335101399.db2.gz CPHMAOSKBMOFHD-SYQHCUMBSA-N 2 2 297.399 -0.458 20 0 CBADLP COC(=O)[C@H]1CC[C@@H](NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])C1 ZINC000580532978 335107804 /nfs/dbraw/zinc/10/78/04/335107804.db2.gz XHFIRZGHHZGQLS-QJPTWQEYSA-N 2 2 298.387 -0.388 20 0 CBADLP COC[C@H](O)CC[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000572960485 334895187 /nfs/dbraw/zinc/89/51/87/334895187.db2.gz BCQDCFDHTYVRDE-SYQHCUMBSA-N 2 2 290.404 -0.557 20 0 CBADLP CN1CC[NH+](CCCCNC(=O)[C@H]2CSC[NH2+]2)CC1 ZINC000572527640 333185468 /nfs/dbraw/zinc/18/54/68/333185468.db2.gz GQYPVKLXGXERKX-GFCCVEGCSA-N 2 2 286.445 -0.207 20 0 CBADLP C[NH+]1CCN(CCCCNC(=O)[C@H]2CSC[NH2+]2)CC1 ZINC000572527640 333185470 /nfs/dbraw/zinc/18/54/70/333185470.db2.gz GQYPVKLXGXERKX-GFCCVEGCSA-N 2 2 286.445 -0.207 20 0 CBADLP C[NH+](C)CC1CCN(C(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000576224805 335173350 /nfs/dbraw/zinc/17/33/50/335173350.db2.gz CXHUCHIQDYOSBY-UHFFFAOYSA-N 2 2 282.388 -0.782 20 0 CBADLP C[NH+]1CCC(O)(CNC(=O)C[NH+]2CC(C)(C)C2)CC1 ZINC000566447209 334649558 /nfs/dbraw/zinc/64/95/58/334649558.db2.gz SAMIABVQSRXAAJ-UHFFFAOYSA-N 2 2 269.389 -0.099 20 0 CBADLP CN(C)c1ccc(CNC(=O)C(=O)N(C)CCC[NH3+])c[nH+]1 ZINC000566511585 334653741 /nfs/dbraw/zinc/65/37/41/334653741.db2.gz VYJVCXOPNMRMAN-UHFFFAOYSA-N 2 2 293.371 -0.429 20 0 CBADLP CCOC(=O)[C@@](C)(O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000568878345 334844798 /nfs/dbraw/zinc/84/47/98/334844798.db2.gz BXLQFXMPXPPVND-ZDUSSCGKSA-N 2 2 282.344 -0.154 20 0 CBADLP C([C@@H]1CCC[NH2+]C1)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000572643093 334868725 /nfs/dbraw/zinc/86/87/25/334868725.db2.gz IVJXTFJGPAELMC-ZIAGYGMSSA-N 3 2 252.406 -0.035 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000572842568 334883336 /nfs/dbraw/zinc/88/33/36/334883336.db2.gz JRVNWQNJDWCDCZ-GARJFASQSA-N 2 2 281.360 -0.370 20 0 CBADLP CNC(=O)C[C@H](C)[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000576391710 335197263 /nfs/dbraw/zinc/19/72/63/335197263.db2.gz VYZNTWUBEHBNMI-RVMXOQNASA-N 2 2 287.404 -0.429 20 0 CBADLP CNC(=O)C[C@H](C)[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000576391710 335197264 /nfs/dbraw/zinc/19/72/64/335197264.db2.gz VYZNTWUBEHBNMI-RVMXOQNASA-N 2 2 287.404 -0.429 20 0 CBADLP CN(CCCN1CC[NH+](C)CC1)C(=O)[C@H]1CSC[NH2+]1 ZINC000576824376 335252481 /nfs/dbraw/zinc/25/24/81/335252481.db2.gz OJNBTOOKGITKMK-GFCCVEGCSA-N 2 2 286.445 -0.255 20 0 CBADLP CN(CCC[NH3+])C(=O)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000576888800 335261082 /nfs/dbraw/zinc/26/10/82/335261082.db2.gz QZVDBBKRANUIMK-UHFFFAOYSA-N 2 2 289.339 -0.242 20 0 CBADLP COCCC[N@H+](C)CC[NH2+]CCC(=O)NC(N)=O ZINC000577055485 335292079 /nfs/dbraw/zinc/29/20/79/335292079.db2.gz OPBWNWWUQLNLBL-UHFFFAOYSA-N 2 2 260.338 -0.871 20 0 CBADLP COCCC[N@@H+](C)CC[NH2+]CCC(=O)NC(N)=O ZINC000577055485 335292081 /nfs/dbraw/zinc/29/20/81/335292081.db2.gz OPBWNWWUQLNLBL-UHFFFAOYSA-N 2 2 260.338 -0.871 20 0 CBADLP C[N@@H+]1CCN(Cc2cnc3cnccn23)[C@H](C[NH3+])C1 ZINC000577493236 335358948 /nfs/dbraw/zinc/35/89/48/335358948.db2.gz YXDBWFHNEYJMAC-LLVKDONJSA-N 2 2 260.345 -0.196 20 0 CBADLP C[N@H+]1CCN(Cc2cnc3cnccn23)[C@H](C[NH3+])C1 ZINC000577493236 335358949 /nfs/dbraw/zinc/35/89/49/335358949.db2.gz YXDBWFHNEYJMAC-LLVKDONJSA-N 2 2 260.345 -0.196 20 0 CBADLP C[NH+](C)[C@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@@H]1O ZINC000577624823 335381149 /nfs/dbraw/zinc/38/11/49/335381149.db2.gz VPOJCEXGCRZRMK-WXHSDQCUSA-N 2 2 278.356 -0.421 20 0 CBADLP Cn1[nH]c(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)nc1=O ZINC000577731023 335393541 /nfs/dbraw/zinc/39/35/41/335393541.db2.gz TYZWTIFJTIRWBC-IVZWLZJFSA-N 2 2 251.334 -0.332 20 0 CBADLP Cn1[nH]c(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)nc1=O ZINC000577731023 335393543 /nfs/dbraw/zinc/39/35/43/335393543.db2.gz TYZWTIFJTIRWBC-IVZWLZJFSA-N 2 2 251.334 -0.332 20 0 CBADLP CCOC[C@H](O)C[NH2+]C[C@@H](C)C[NH+]1CCOCC1 ZINC000578523142 335645145 /nfs/dbraw/zinc/64/51/45/335645145.db2.gz NXYBEMFUULTXNS-CHWSQXEVSA-N 2 2 260.378 -0.058 20 0 CBADLP O=C(C1CC[NH+](C2CC2)CC1)N1CC[NH+](CCO)CC1 ZINC000194175271 336008023 /nfs/dbraw/zinc/00/80/23/336008023.db2.gz ZCALDGSFUZTYIY-UHFFFAOYSA-N 2 2 281.400 -0.003 20 0 CBADLP CC1(C(N)=O)C[NH+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000581128907 336012151 /nfs/dbraw/zinc/01/21/51/336012151.db2.gz HXDPXAFWKOSFAK-UHFFFAOYSA-N 2 2 294.399 -0.463 20 0 CBADLP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN2CC[NH2+]CC2=O)C1 ZINC000581132445 336013185 /nfs/dbraw/zinc/01/31/85/336013185.db2.gz RVCSUUBGXWCTFI-STQMWFEESA-N 2 2 294.399 -0.639 20 0 CBADLP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN2CC[NH2+]CC2=O)C1 ZINC000581132445 336013187 /nfs/dbraw/zinc/01/31/87/336013187.db2.gz RVCSUUBGXWCTFI-STQMWFEESA-N 2 2 294.399 -0.639 20 0 CBADLP CS(=O)(=O)N1CCC[C@@H]1C[NH2+][C@H]1CCC[NH2+]C1 ZINC000581131576 336013202 /nfs/dbraw/zinc/01/32/02/336013202.db2.gz LNIJMZMHFJADRJ-WDEREUQCSA-N 2 2 261.391 -0.248 20 0 CBADLP Cc1cc(NC(=O)NC[C@@H]2C[NH2+]CCO2)cc[nH+]1 ZINC000581317986 336047733 /nfs/dbraw/zinc/04/77/33/336047733.db2.gz WMYCIBIHLGPMFH-NSHDSACASA-N 2 2 250.302 -0.078 20 0 CBADLP COC[C@]1(C(=O)N[C@H](C)C[NH+]2CCOCC2)CC[NH2+]C1 ZINC000381170434 336053527 /nfs/dbraw/zinc/05/35/27/336053527.db2.gz OCHKMHYSDYFDFX-OCCSQVGLSA-N 2 2 285.388 -0.551 20 0 CBADLP OCC[N@@H+]1CCCC[C@@H]1C[NH2+]C[C@H](O)Cn1cccn1 ZINC000581370076 336063093 /nfs/dbraw/zinc/06/30/93/336063093.db2.gz IIBQPHDPKCOJPN-KGLIPLIRSA-N 2 2 282.388 -0.320 20 0 CBADLP OCC[N@H+]1CCCC[C@@H]1C[NH2+]C[C@H](O)Cn1cccn1 ZINC000581370076 336063095 /nfs/dbraw/zinc/06/30/95/336063095.db2.gz IIBQPHDPKCOJPN-KGLIPLIRSA-N 2 2 282.388 -0.320 20 0 CBADLP COC[C@](C)(O)C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000382583771 336094652 /nfs/dbraw/zinc/09/46/52/336094652.db2.gz WRXIVTCRYHVCDW-GFCCVEGCSA-N 2 2 256.350 -0.027 20 0 CBADLP C[C@@H](C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])c1cnn(C)c1 ZINC000581547249 336099903 /nfs/dbraw/zinc/09/99/03/336099903.db2.gz KGVSJEUZCPINFQ-ZYHUDNBSSA-N 2 2 265.361 -0.375 20 0 CBADLP C[C@@H](C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1cnn(C)c1 ZINC000581547249 336099904 /nfs/dbraw/zinc/09/99/04/336099904.db2.gz KGVSJEUZCPINFQ-ZYHUDNBSSA-N 2 2 265.361 -0.375 20 0 CBADLP CN(C)C(=O)CC[NH+]1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000581641153 336115897 /nfs/dbraw/zinc/11/58/97/336115897.db2.gz JRILDPIGRAGNGN-UHFFFAOYSA-N 2 2 293.371 -0.494 20 0 CBADLP CCN(CC)C(=O)CCC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000581725081 336137957 /nfs/dbraw/zinc/13/79/57/336137957.db2.gz RIMGWYXRFJXGAP-LBPRGKRZSA-N 2 2 284.404 -0.264 20 0 CBADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@H]2C[C@@H](O)C2)C[C@@H](C)O1 ZINC000581726676 336138285 /nfs/dbraw/zinc/13/82/85/336138285.db2.gz XZMQYIZISFYMJQ-NJMOYASZSA-N 2 2 258.362 -0.431 20 0 CBADLP C[C@H]([NH2+]CCS(=O)(=O)N(C)C)[C@H]1CCCC[NH2+]1 ZINC000386499523 336175833 /nfs/dbraw/zinc/17/58/33/336175833.db2.gz VOAUBCQHLPVGBT-WDEREUQCSA-N 2 2 263.407 -0.002 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N(C)CC[NH+](C)C ZINC000356118651 533860935 /nfs/dbraw/zinc/86/09/35/533860935.db2.gz PLCAEPJPZHEPBH-LBPRGKRZSA-N 2 2 272.393 -0.090 20 0 CBADLP COC(=O)NCC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000177131538 534035279 /nfs/dbraw/zinc/03/52/79/534035279.db2.gz VPFUJAMRQNRPTP-UHFFFAOYSA-N 2 2 286.376 -0.515 20 0 CBADLP CC[NH+]1CCC([N@H+](C)CC(=O)N2CCNC2=O)CC1 ZINC000157492091 521557951 /nfs/dbraw/zinc/55/79/51/521557951.db2.gz HHYKIGOCZGXPDK-UHFFFAOYSA-N 2 2 268.361 -0.046 20 0 CBADLP CC[NH+]1CCC([N@@H+](C)CC(=O)N2CCNC2=O)CC1 ZINC000157492091 521557957 /nfs/dbraw/zinc/55/79/57/521557957.db2.gz HHYKIGOCZGXPDK-UHFFFAOYSA-N 2 2 268.361 -0.046 20 0 CBADLP COCCC[N@H+](C)CCNC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000357335623 536507792 /nfs/dbraw/zinc/50/77/92/536507792.db2.gz SICBODCPPUTRBA-ZDUSSCGKSA-N 2 2 287.404 -0.208 20 0 CBADLP COCCC[N@@H+](C)CCNC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000357335623 536507793 /nfs/dbraw/zinc/50/77/93/536507793.db2.gz SICBODCPPUTRBA-ZDUSSCGKSA-N 2 2 287.404 -0.208 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](C[C@@H](C)O)C[C@@H]2C)C1 ZINC000356902226 527733555 /nfs/dbraw/zinc/73/35/55/527733555.db2.gz LHEDTQVGLBHPLW-MJBXVCDLSA-N 2 2 299.415 -0.379 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[NH+](C[C@@H](C)O)C[C@@H]2C)C1 ZINC000356902226 527733556 /nfs/dbraw/zinc/73/35/56/527733556.db2.gz LHEDTQVGLBHPLW-MJBXVCDLSA-N 2 2 299.415 -0.379 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)C1 ZINC000356902226 527733561 /nfs/dbraw/zinc/73/35/61/527733561.db2.gz LHEDTQVGLBHPLW-MJBXVCDLSA-N 2 2 299.415 -0.379 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)C1 ZINC000356902226 527733566 /nfs/dbraw/zinc/73/35/66/527733566.db2.gz LHEDTQVGLBHPLW-MJBXVCDLSA-N 2 2 299.415 -0.379 20 0 CBADLP CCOC(=O)[C@](C)(O)C[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000354851638 528099520 /nfs/dbraw/zinc/09/95/20/528099520.db2.gz MXAOPUNZTSZDGD-CQSZACIVSA-N 2 2 288.388 -0.311 20 0 CBADLP CCOC(=O)[C@](C)(O)C[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000354851638 528099521 /nfs/dbraw/zinc/09/95/21/528099521.db2.gz MXAOPUNZTSZDGD-CQSZACIVSA-N 2 2 288.388 -0.311 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C[C@H]([NH3+])C1CC1 ZINC000123652192 582119422 /nfs/dbraw/zinc/11/94/22/582119422.db2.gz LWAQODGRLKIUIX-PWSUYJOCSA-N 2 2 255.362 -0.049 20 0 CBADLP CN1CC[N@H+](C)[C@H](CNC(=O)C[C@H]([NH3+])C2CC2)C1 ZINC000137408121 582125974 /nfs/dbraw/zinc/12/59/74/582125974.db2.gz JSLVLEFFWBPRQF-NEPJUHHUSA-N 2 2 254.378 -0.524 20 0 CBADLP CN1CC[N@@H+](C)[C@H](CNC(=O)C[C@H]([NH3+])C2CC2)C1 ZINC000137408121 582125975 /nfs/dbraw/zinc/12/59/75/582125975.db2.gz JSLVLEFFWBPRQF-NEPJUHHUSA-N 2 2 254.378 -0.524 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)N2CC[NH+](C)CC2)CCO1 ZINC000726258557 582136907 /nfs/dbraw/zinc/13/69/07/582136907.db2.gz XJQSQHNHXBDTRR-LBPRGKRZSA-N 2 2 270.377 -0.336 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)N2CC[NH+](C)CC2)CCO1 ZINC000726258557 582136908 /nfs/dbraw/zinc/13/69/08/582136908.db2.gz XJQSQHNHXBDTRR-LBPRGKRZSA-N 2 2 270.377 -0.336 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)CC[NH+]1CCOCC1 ZINC000727106142 582140778 /nfs/dbraw/zinc/14/07/78/582140778.db2.gz KJHUYDLADLMKQM-UHFFFAOYSA-N 2 2 285.388 -0.501 20 0 CBADLP CNC(=O)[C@@H]1CCC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000729542343 582146869 /nfs/dbraw/zinc/14/68/69/582146869.db2.gz GMJYYAVWWIMOTJ-RYUDHWBXSA-N 2 2 255.362 -0.347 20 0 CBADLP CNC(=O)[C@@H]1CCC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000729542343 582146871 /nfs/dbraw/zinc/14/68/71/582146871.db2.gz GMJYYAVWWIMOTJ-RYUDHWBXSA-N 2 2 255.362 -0.347 20 0 CBADLP C[C@@H](O)C[NH+]1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000729925995 582148080 /nfs/dbraw/zinc/14/80/80/582148080.db2.gz HMGPCGRCUXHENA-CYBMUJFWSA-N 2 2 285.388 -0.766 20 0 CBADLP C[N@H+](CN1C(=O)NC2(CC[NH+](C)CC2)C1=O)[C@@H]1CCOC1 ZINC000730260287 582149617 /nfs/dbraw/zinc/14/96/17/582149617.db2.gz NVULNRNPDQMTFF-LLVKDONJSA-N 2 2 296.371 -0.319 20 0 CBADLP C[N@@H+](CN1C(=O)NC2(CC[NH+](C)CC2)C1=O)[C@@H]1CCOC1 ZINC000730260287 582149618 /nfs/dbraw/zinc/14/96/18/582149618.db2.gz NVULNRNPDQMTFF-LLVKDONJSA-N 2 2 296.371 -0.319 20 0 CBADLP CN1CC[N@H+](C)[C@H](CNC(=S)NC2CC[NH+](C)CC2)C1 ZINC000731947602 582155715 /nfs/dbraw/zinc/15/57/15/582155715.db2.gz GQIDNQSINLEVAA-CYBMUJFWSA-N 2 2 299.488 -0.210 20 0 CBADLP CN1CC[N@@H+](C)[C@H](CNC(=S)NC2CC[NH+](C)CC2)C1 ZINC000731947602 582155716 /nfs/dbraw/zinc/15/57/16/582155716.db2.gz GQIDNQSINLEVAA-CYBMUJFWSA-N 2 2 299.488 -0.210 20 0 CBADLP C[NH+](C)CCn1nnnc1SCC[NH+]1CCOCC1 ZINC000731939988 582155759 /nfs/dbraw/zinc/15/57/59/582155759.db2.gz YNPVCCSUGIKKSO-UHFFFAOYSA-N 2 2 286.405 -0.341 20 0 CBADLP CN1CC[N@H+](C)[C@@H](CNC(=S)NC2CC[NH+](C)CC2)C1 ZINC000731947603 582155811 /nfs/dbraw/zinc/15/58/11/582155811.db2.gz GQIDNQSINLEVAA-ZDUSSCGKSA-N 2 2 299.488 -0.210 20 0 CBADLP CN1CC[N@@H+](C)[C@@H](CNC(=S)NC2CC[NH+](C)CC2)C1 ZINC000731947603 582155813 /nfs/dbraw/zinc/15/58/13/582155813.db2.gz GQIDNQSINLEVAA-ZDUSSCGKSA-N 2 2 299.488 -0.210 20 0 CBADLP O=C1NCCN1[C@H]1CCC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000734208791 582168401 /nfs/dbraw/zinc/16/84/01/582168401.db2.gz BMHIKTDLAZIYDU-KBPBESRZSA-N 2 2 296.415 -0.067 20 0 CBADLP O=C1NCCN1[C@H]1CCC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000734208791 582168402 /nfs/dbraw/zinc/16/84/02/582168402.db2.gz BMHIKTDLAZIYDU-KBPBESRZSA-N 2 2 296.415 -0.067 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000742247783 582272357 /nfs/dbraw/zinc/27/23/57/582272357.db2.gz YDHCLQBNBGLMMZ-RYUDHWBXSA-N 2 2 264.329 -0.138 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000742247783 582272358 /nfs/dbraw/zinc/27/23/58/582272358.db2.gz YDHCLQBNBGLMMZ-RYUDHWBXSA-N 2 2 264.329 -0.138 20 0 CBADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000746219421 582283911 /nfs/dbraw/zinc/28/39/11/582283911.db2.gz RCBXWZDWHDHVMA-CHWSQXEVSA-N 2 2 296.415 -0.121 20 0 CBADLP C[NH+](C)CCCNC(=S)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000746544659 582285008 /nfs/dbraw/zinc/28/50/08/582285008.db2.gz OLWANLYNXPGXMB-GFCCVEGCSA-N 2 2 285.461 -0.598 20 0 CBADLP C[NH+]1CCC2(CC1)NC(=O)N(C[N@@H+]1CCCOCC1)C2=O ZINC000748072280 582287182 /nfs/dbraw/zinc/28/71/82/582287182.db2.gz FRBOJBJBTIBRPG-UHFFFAOYSA-N 2 2 296.371 -0.318 20 0 CBADLP C[NH+]1CCC2(CC1)NC(=O)N(C[N@H+]1CCCOCC1)C2=O ZINC000748072280 582287183 /nfs/dbraw/zinc/28/71/83/582287183.db2.gz FRBOJBJBTIBRPG-UHFFFAOYSA-N 2 2 296.371 -0.318 20 0 CBADLP C[C@@H](C(=O)N1CC[N@H+](C)[C@@H](C)C1)N1CC[NH+](C)CC1 ZINC000748348540 582287607 /nfs/dbraw/zinc/28/76/07/582287607.db2.gz JBJNWRPSNUAYSZ-STQMWFEESA-N 2 2 268.405 -0.215 20 0 CBADLP C[C@@H](C(=O)N1CC[N@@H+](C)[C@@H](C)C1)N1CC[NH+](C)CC1 ZINC000748348540 582287608 /nfs/dbraw/zinc/28/76/08/582287608.db2.gz JBJNWRPSNUAYSZ-STQMWFEESA-N 2 2 268.405 -0.215 20 0 CBADLP CNS(=O)(=O)[C@H]1CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000750215539 582290995 /nfs/dbraw/zinc/29/09/95/582290995.db2.gz IHNYHHHHQWIEMO-RYUDHWBXSA-N 2 2 291.417 -0.933 20 0 CBADLP CNS(=O)(=O)[C@H]1CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000750215539 582290996 /nfs/dbraw/zinc/29/09/96/582290996.db2.gz IHNYHHHHQWIEMO-RYUDHWBXSA-N 2 2 291.417 -0.933 20 0 CBADLP Cc1cc(N(C)C[C@H](O)C[NH+]2CCOCC2)nc(N)[nH+]1 ZINC000751234832 582292566 /nfs/dbraw/zinc/29/25/66/582292566.db2.gz WWDQLCYWZCBORA-NSHDSACASA-N 2 2 281.360 -0.503 20 0 CBADLP S=C(NCCC[NH+]1CCOCC1)NCC[NH+]1CCC1 ZINC000752769995 582295733 /nfs/dbraw/zinc/29/57/33/582295733.db2.gz LGJXQJUZIOAUKI-UHFFFAOYSA-N 2 2 286.445 -0.122 20 0 CBADLP O=C(NC1CC1)N[C@H]1CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000760905461 582313773 /nfs/dbraw/zinc/31/37/73/582313773.db2.gz FURYLTACIYKEPP-KBPBESRZSA-N 2 2 296.415 -0.021 20 0 CBADLP O=C(NC1CC1)N[C@H]1CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000760905461 582313774 /nfs/dbraw/zinc/31/37/74/582313774.db2.gz FURYLTACIYKEPP-KBPBESRZSA-N 2 2 296.415 -0.021 20 0 CBADLP CC[N@H+](CC(=O)NC)[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000764204201 582322557 /nfs/dbraw/zinc/32/25/57/582322557.db2.gz NNIDAQPERWJKGU-LBPRGKRZSA-N 2 2 284.404 -0.393 20 0 CBADLP CC[N@@H+](CC(=O)NC)[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000764204201 582322558 /nfs/dbraw/zinc/32/25/58/582322558.db2.gz NNIDAQPERWJKGU-LBPRGKRZSA-N 2 2 284.404 -0.393 20 0 CBADLP CC[N@H+](CC(=O)NC)[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000764204200 582322617 /nfs/dbraw/zinc/32/26/17/582322617.db2.gz NNIDAQPERWJKGU-GFCCVEGCSA-N 2 2 284.404 -0.393 20 0 CBADLP CC[N@@H+](CC(=O)NC)[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000764204200 582322618 /nfs/dbraw/zinc/32/26/18/582322618.db2.gz NNIDAQPERWJKGU-GFCCVEGCSA-N 2 2 284.404 -0.393 20 0 CBADLP O=C1CC[C@@H]([N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)C(=O)N1 ZINC000765961736 582329137 /nfs/dbraw/zinc/32/91/37/582329137.db2.gz FGORUXJKAVZJFZ-VXGBXAGGSA-N 2 2 281.356 -0.554 20 0 CBADLP O=C1CC[C@@H]([N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)C(=O)N1 ZINC000765961736 582329138 /nfs/dbraw/zinc/32/91/38/582329138.db2.gz FGORUXJKAVZJFZ-VXGBXAGGSA-N 2 2 281.356 -0.554 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](C)[C@H](C)C2)C1 ZINC000768848971 582334728 /nfs/dbraw/zinc/33/47/28/582334728.db2.gz XHTBQUIYABMBRJ-NEPJUHHUSA-N 2 2 255.362 -0.130 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[NH+](C)[C@H](C)C2)C1 ZINC000768848971 582334729 /nfs/dbraw/zinc/33/47/29/582334729.db2.gz XHTBQUIYABMBRJ-NEPJUHHUSA-N 2 2 255.362 -0.130 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)N2CC[N@H+](C)[C@H](C)C2)C1 ZINC000768848971 582334730 /nfs/dbraw/zinc/33/47/30/582334730.db2.gz XHTBQUIYABMBRJ-NEPJUHHUSA-N 2 2 255.362 -0.130 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)N2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000768848971 582334731 /nfs/dbraw/zinc/33/47/31/582334731.db2.gz XHTBQUIYABMBRJ-NEPJUHHUSA-N 2 2 255.362 -0.130 20 0 CBADLP COC(=O)C1(O)CC[NH+](C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000769972060 582337360 /nfs/dbraw/zinc/33/73/60/582337360.db2.gz XWQZFSRNRQWIRE-GFCCVEGCSA-N 2 2 286.372 -0.557 20 0 CBADLP C[C@@H](NC(=O)CC[NH+]1CCOCC1)[C@H]1C[N@H+](C)CCO1 ZINC000771091738 582340420 /nfs/dbraw/zinc/34/04/20/582340420.db2.gz KXHRKLXAZGVLRL-CHWSQXEVSA-N 2 2 285.388 -0.456 20 0 CBADLP C[C@@H](NC(=O)CC[NH+]1CCOCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000771091738 582340421 /nfs/dbraw/zinc/34/04/21/582340421.db2.gz KXHRKLXAZGVLRL-CHWSQXEVSA-N 2 2 285.388 -0.456 20 0 CBADLP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000776875848 582355952 /nfs/dbraw/zinc/35/59/52/582355952.db2.gz AURWCGJRELNXFR-CHWSQXEVSA-N 2 2 265.361 -0.018 20 0 CBADLP O[C@H](C[NH+]1CCCC1)C[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000776875848 582355953 /nfs/dbraw/zinc/35/59/53/582355953.db2.gz AURWCGJRELNXFR-CHWSQXEVSA-N 2 2 265.361 -0.018 20 0 CBADLP Cn1cc([C@H](CO)[NH2+]C[C@@H](O)C[NH+]2CCCC2)cn1 ZINC000778135236 582358079 /nfs/dbraw/zinc/35/80/79/582358079.db2.gz CEDXVWUJGQWCQR-OLZOCXBDSA-N 2 2 268.361 -0.500 20 0 CBADLP CC[NH+](CC)CC(=O)N[C@@H](Cn1cc[nH+]c1)C(=O)OC ZINC000779565198 582361886 /nfs/dbraw/zinc/36/18/86/582361886.db2.gz FECKBWPSWMXBJS-NSHDSACASA-N 2 2 282.344 -0.117 20 0 CBADLP NC(CCO)=[NH+]OCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000780128183 582363748 /nfs/dbraw/zinc/36/37/48/582363748.db2.gz XVCRMHPGYZWQFS-UHFFFAOYSA-N 2 2 284.360 -0.390 20 0 CBADLP C[N@H+]1C[C@H]2CN(C(=S)NCC[NH+]3CCOCC3)C[C@H]2C1 ZINC000782400064 582368714 /nfs/dbraw/zinc/36/87/14/582368714.db2.gz BTJAFGPNWUGHRN-BETUJISGSA-N 2 2 298.456 -0.314 20 0 CBADLP C[N@@H+]1C[C@H]2CN(C(=S)NCC[NH+]3CCOCC3)C[C@H]2C1 ZINC000782400064 582368715 /nfs/dbraw/zinc/36/87/15/582368715.db2.gz BTJAFGPNWUGHRN-BETUJISGSA-N 2 2 298.456 -0.314 20 0 CBADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC000793873572 582398926 /nfs/dbraw/zinc/39/89/26/582398926.db2.gz HKCFVDDKNXPYJD-ZIAGYGMSSA-N 2 2 299.415 -0.378 20 0 CBADLP C[C@@H](O)C[N@H+]1CCN(C(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC000793873572 582398927 /nfs/dbraw/zinc/39/89/27/582398927.db2.gz HKCFVDDKNXPYJD-ZIAGYGMSSA-N 2 2 299.415 -0.378 20 0 CBADLP Cn1c(Cl)cnc1C[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000799335820 582419586 /nfs/dbraw/zinc/41/95/86/582419586.db2.gz DZBSAOXNZYPDFP-UHFFFAOYSA-N 2 2 285.779 -0.063 20 0 CBADLP C[C@@H]1CCNC(=O)[C@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000799345956 582419607 /nfs/dbraw/zinc/41/96/07/582419607.db2.gz CEJJXMOOQYZDDH-UTUOFQBUSA-N 2 2 255.362 -0.443 20 0 CBADLP CCC[N@H+](C[C@@H](O)C[NH+]1CCCC1)[C@H]1CC(=O)N(C)C1=O ZINC000801585920 582424856 /nfs/dbraw/zinc/42/48/56/582424856.db2.gz JTXYIAQPLGKKBR-STQMWFEESA-N 2 2 297.399 -0.088 20 0 CBADLP CCC[N@@H+](C[C@@H](O)C[NH+]1CCCC1)[C@H]1CC(=O)N(C)C1=O ZINC000801585920 582424857 /nfs/dbraw/zinc/42/48/57/582424857.db2.gz JTXYIAQPLGKKBR-STQMWFEESA-N 2 2 297.399 -0.088 20 0 CBADLP O=C(N[C@@H]1CCc2c[nH+]cn2C1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000804333134 582429876 /nfs/dbraw/zinc/42/98/76/582429876.db2.gz FYYARELTKVOAMI-OCCSQVGLSA-N 2 2 289.383 -0.296 20 0 CBADLP O=C(N[C@@H]1CCc2c[nH+]cn2C1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000804333134 582429877 /nfs/dbraw/zinc/42/98/77/582429877.db2.gz FYYARELTKVOAMI-OCCSQVGLSA-N 2 2 289.383 -0.296 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)OCCC[NH+]2CCOCC2)C1 ZINC000805469726 582433221 /nfs/dbraw/zinc/43/32/21/582433221.db2.gz PDZRDDLMRICHDC-ZDUSSCGKSA-N 2 2 286.372 -0.027 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)OCCC[NH+]2CCOCC2)C1 ZINC000805469726 582433222 /nfs/dbraw/zinc/43/32/22/582433222.db2.gz PDZRDDLMRICHDC-ZDUSSCGKSA-N 2 2 286.372 -0.027 20 0 CBADLP C[NH+](C)CCCCC(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000820010486 582547369 /nfs/dbraw/zinc/54/73/69/582547369.db2.gz KBCLJGOVXRZHJS-ZDUSSCGKSA-N 2 2 287.404 -0.472 20 0 CBADLP CN(C)c1[nH+]cc(C[NH2+]C[C@@H]2CC(C(N)=O)=NO2)n1C ZINC000821229943 582596275 /nfs/dbraw/zinc/59/62/75/582596275.db2.gz LUBLQFVWDYGBSJ-VIFPVBQESA-N 2 2 280.332 -0.794 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@H]2CCC(=O)O2)CC1 ZINC000821387728 582603201 /nfs/dbraw/zinc/60/32/01/582603201.db2.gz WNSBEHGHRKGPAF-OLZOCXBDSA-N 2 2 295.383 -0.070 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@H]2CCC(=O)O2)CC1 ZINC000821387728 582603204 /nfs/dbraw/zinc/60/32/04/582603204.db2.gz WNSBEHGHRKGPAF-OLZOCXBDSA-N 2 2 295.383 -0.070 20 0 CBADLP Cn1c[nH+]c(/C=C/C(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)c1 ZINC000824019001 582685151 /nfs/dbraw/zinc/68/51/51/582685151.db2.gz GARJPIXRDYCJHD-YWVDXFKGSA-N 2 2 276.340 -0.289 20 0 CBADLP Cn1c[nH+]c(/C=C/C(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)c1 ZINC000824019001 582685153 /nfs/dbraw/zinc/68/51/53/582685153.db2.gz GARJPIXRDYCJHD-YWVDXFKGSA-N 2 2 276.340 -0.289 20 0 CBADLP Cn1c[nH+]c(/C=C/C(=O)N2CC[N@H+](C)C[C@H]2CO)c1 ZINC000826707829 582786368 /nfs/dbraw/zinc/78/63/68/582786368.db2.gz NYYSCYAFNSMIFA-PCAWENJQSA-N 2 2 264.329 -0.432 20 0 CBADLP Cn1c[nH+]c(/C=C/C(=O)N2CC[N@@H+](C)C[C@H]2CO)c1 ZINC000826707829 582786369 /nfs/dbraw/zinc/78/63/69/582786369.db2.gz NYYSCYAFNSMIFA-PCAWENJQSA-N 2 2 264.329 -0.432 20 0 CBADLP Cn1c[nH+]c(/C=C/C(=O)NCC[N@@H+]2CC[C@@H](O)C2)c1 ZINC000827527937 582820672 /nfs/dbraw/zinc/82/06/72/582820672.db2.gz CAQVEZBMSKRYRL-QAVQXKDTSA-N 2 2 264.329 -0.384 20 0 CBADLP Cn1c[nH+]c(/C=C/C(=O)NCC[N@H+]2CC[C@@H](O)C2)c1 ZINC000827527937 582820675 /nfs/dbraw/zinc/82/06/75/582820675.db2.gz CAQVEZBMSKRYRL-QAVQXKDTSA-N 2 2 264.329 -0.384 20 0 CBADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C)[C@@H](CO)C1 ZINC000827983140 582838316 /nfs/dbraw/zinc/83/83/16/582838316.db2.gz IIMSVMMAFAJNKI-CHWSQXEVSA-N 2 2 269.389 -0.006 20 0 CBADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C)[C@@H](CO)C1 ZINC000827983140 582838318 /nfs/dbraw/zinc/83/83/18/582838318.db2.gz IIMSVMMAFAJNKI-CHWSQXEVSA-N 2 2 269.389 -0.006 20 0 CBADLP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000827983140 582838320 /nfs/dbraw/zinc/83/83/20/582838320.db2.gz IIMSVMMAFAJNKI-CHWSQXEVSA-N 2 2 269.389 -0.006 20 0 CBADLP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000827983140 582838322 /nfs/dbraw/zinc/83/83/22/582838322.db2.gz IIMSVMMAFAJNKI-CHWSQXEVSA-N 2 2 269.389 -0.006 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000828714852 582871415 /nfs/dbraw/zinc/87/14/15/582871415.db2.gz FZJBKLDVZXLUCF-JQWIXIFHSA-N 2 2 259.325 -0.475 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000828714852 582871416 /nfs/dbraw/zinc/87/14/16/582871416.db2.gz FZJBKLDVZXLUCF-JQWIXIFHSA-N 2 2 259.325 -0.475 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@]3(F)CC[NH2+]C3)C2)CC1 ZINC000829484673 582888080 /nfs/dbraw/zinc/88/80/80/582888080.db2.gz WLBLZKKAZCCXTA-DOMZBBRYSA-N 3 2 298.406 -0.027 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@]3(F)CC[NH2+]C3)C2)CC1 ZINC000829484673 582888082 /nfs/dbraw/zinc/88/80/82/582888082.db2.gz WLBLZKKAZCCXTA-DOMZBBRYSA-N 3 2 298.406 -0.027 20 0 CBADLP CC[C@@H](CO)[NH+]1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000830642222 582936804 /nfs/dbraw/zinc/93/68/04/582936804.db2.gz NUUDLVWZLRKIJB-NSHDSACASA-N 2 2 266.345 -0.133 20 0 CBADLP C[N@@H+]1CCN(C(=O)c2cc3c([nH]c2=O)CCC3)[C@@H](C[NH3+])C1 ZINC000834299506 583119759 /nfs/dbraw/zinc/11/97/59/583119759.db2.gz SOYAWGWOICUBDU-NSHDSACASA-N 2 2 290.367 -0.009 20 0 CBADLP C[N@H+]1CCN(C(=O)c2cc3c([nH]c2=O)CCC3)[C@@H](C[NH3+])C1 ZINC000834299506 583119761 /nfs/dbraw/zinc/11/97/61/583119761.db2.gz SOYAWGWOICUBDU-NSHDSACASA-N 2 2 290.367 -0.009 20 0 CBADLP CC1(C)CN(C(=O)c2n[nH]c3c2C[NH2+]CC3)CC[NH2+]1 ZINC000834868038 583138182 /nfs/dbraw/zinc/13/81/82/583138182.db2.gz OZKBYAWTSYSGNQ-UHFFFAOYSA-N 2 2 263.345 -0.121 20 0 CBADLP CC(C)OCCNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000841875787 583175535 /nfs/dbraw/zinc/17/55/35/583175535.db2.gz GHXWDKHCLWPTCT-NSHDSACASA-N 2 2 258.366 -0.304 20 0 CBADLP CC(C)OCCNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000841875787 583175538 /nfs/dbraw/zinc/17/55/38/583175538.db2.gz GHXWDKHCLWPTCT-NSHDSACASA-N 2 2 258.366 -0.304 20 0 CBADLP C[N@@H+]1CCN(C(=O)NC[C@@H]2COC(C)(C)O2)[C@H](C[NH3+])C1 ZINC000841876028 583175639 /nfs/dbraw/zinc/17/56/39/583175639.db2.gz QCLYTXAZHZNQSN-GHMZBOCLSA-N 2 2 286.376 -0.578 20 0 CBADLP C[N@H+]1CCN(C(=O)NC[C@@H]2COC(C)(C)O2)[C@H](C[NH3+])C1 ZINC000841876028 583175642 /nfs/dbraw/zinc/17/56/42/583175642.db2.gz QCLYTXAZHZNQSN-GHMZBOCLSA-N 2 2 286.376 -0.578 20 0 CBADLP C[N@@H+]1CCN(C(=O)NC[C@@H]2CCC=CO2)[C@H](C[NH3+])C1 ZINC000841884864 583176095 /nfs/dbraw/zinc/17/60/95/583176095.db2.gz RLTBNAZVBVPPKL-NEPJUHHUSA-N 2 2 268.361 -0.037 20 0 CBADLP C[N@H+]1CCN(C(=O)NC[C@@H]2CCC=CO2)[C@H](C[NH3+])C1 ZINC000841884864 583176098 /nfs/dbraw/zinc/17/60/98/583176098.db2.gz RLTBNAZVBVPPKL-NEPJUHHUSA-N 2 2 268.361 -0.037 20 0 CBADLP O=C(NC[C@@H]1C[NH2+]CCO1)c1ccnc(-n2cc[nH+]c2)c1 ZINC000842510239 583184717 /nfs/dbraw/zinc/18/47/17/583184717.db2.gz PKTFJODDFCYWOT-LBPRGKRZSA-N 2 2 287.323 -0.015 20 0 CBADLP CC(C)CC[NH+]1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000843055133 583198803 /nfs/dbraw/zinc/19/88/03/583198803.db2.gz SPIBHGKJFKSSRP-UHFFFAOYSA-N 2 2 275.418 -0.048 20 0 CBADLP CCOC(=O)C1=C(C[N@@H+]2CC[C@H](C[NH3+])C2)NC(=O)N[C@@H]1C ZINC000843348432 583211741 /nfs/dbraw/zinc/21/17/41/583211741.db2.gz NPAFLFSVAOXEOD-NXEZZACHSA-N 2 2 296.371 -0.215 20 0 CBADLP CCOC(=O)C1=C(C[N@H+]2CC[C@H](C[NH3+])C2)NC(=O)N[C@@H]1C ZINC000843348432 583211744 /nfs/dbraw/zinc/21/17/44/583211744.db2.gz NPAFLFSVAOXEOD-NXEZZACHSA-N 2 2 296.371 -0.215 20 0 CBADLP COCCS(=O)(=O)CCC[N@@H+](C)C1CC([NH3+])C1 ZINC000843388136 583214612 /nfs/dbraw/zinc/21/46/12/583214612.db2.gz WLOBXCJRLCWKMR-UHFFFAOYSA-N 2 2 264.391 -0.141 20 0 CBADLP COCCS(=O)(=O)CCC[N@H+](C)C1CC([NH3+])C1 ZINC000843388136 583214609 /nfs/dbraw/zinc/21/46/09/583214609.db2.gz WLOBXCJRLCWKMR-UHFFFAOYSA-N 2 2 264.391 -0.141 20 0 CBADLP CC(C)(CNC(=O)CO[C@H]1CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000844166644 583255595 /nfs/dbraw/zinc/25/55/95/583255595.db2.gz OWCMKSXKGKZOAN-ZDUSSCGKSA-N 2 2 299.415 -0.018 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)c2[nH]nc3c2C[NH2+]CC3)CCO1 ZINC000844179706 583257615 /nfs/dbraw/zinc/25/76/15/583257615.db2.gz WYVZSVNGRKDCCH-JTQLQIEISA-N 2 2 293.371 -0.494 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)c2[nH]nc3c2C[NH2+]CC3)CCO1 ZINC000844179706 583257618 /nfs/dbraw/zinc/25/76/18/583257618.db2.gz WYVZSVNGRKDCCH-JTQLQIEISA-N 2 2 293.371 -0.494 20 0 CBADLP C[NH+](C)CCN1CC[N@H+](CCC2OCCO2)CC1=O ZINC000844375775 583268889 /nfs/dbraw/zinc/26/88/89/583268889.db2.gz LIMGSJQFWQLLEE-UHFFFAOYSA-N 2 2 271.361 -0.545 20 0 CBADLP C[NH+](C)CCN1CC[N@@H+](CCC2OCCO2)CC1=O ZINC000844375775 583268893 /nfs/dbraw/zinc/26/88/93/583268893.db2.gz LIMGSJQFWQLLEE-UHFFFAOYSA-N 2 2 271.361 -0.545 20 0 CBADLP C[NH+](C)CCN1CC[N@H+](C[C@H]2CC3(CC3)C(=O)O2)CC1=O ZINC000844381215 583269370 /nfs/dbraw/zinc/26/93/70/583269370.db2.gz JJTNFEPIXUEZBD-GFCCVEGCSA-N 2 2 295.383 -0.212 20 0 CBADLP C[NH+](C)CCN1CC[N@@H+](C[C@H]2CC3(CC3)C(=O)O2)CC1=O ZINC000844381215 583269372 /nfs/dbraw/zinc/26/93/72/583269372.db2.gz JJTNFEPIXUEZBD-GFCCVEGCSA-N 2 2 295.383 -0.212 20 0 CBADLP CON(C)C(=O)CC[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000844382531 583269426 /nfs/dbraw/zinc/26/94/26/583269426.db2.gz YHAAMQIWHQOCDX-UHFFFAOYSA-N 2 2 286.376 -0.898 20 0 CBADLP CON(C)C(=O)CC[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000844382531 583269431 /nfs/dbraw/zinc/26/94/31/583269431.db2.gz YHAAMQIWHQOCDX-UHFFFAOYSA-N 2 2 286.376 -0.898 20 0 CBADLP COC[C@@H]1C[C@@H](O)C[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000844393133 583269533 /nfs/dbraw/zinc/26/95/33/583269533.db2.gz HYKHQPVSUVACDU-XQQFMLRXSA-N 2 2 258.362 -0.475 20 0 CBADLP COC[C@@H]1C[C@@H](O)C[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000844393133 583269536 /nfs/dbraw/zinc/26/95/36/583269536.db2.gz HYKHQPVSUVACDU-XQQFMLRXSA-N 2 2 258.362 -0.475 20 0 CBADLP COC(=O)C[C@H]1C(=O)NCC[N@H+]1CCCCCC[NH3+] ZINC000846221369 583356029 /nfs/dbraw/zinc/35/60/29/583356029.db2.gz XQMDVQLEBMGRGH-NSHDSACASA-N 2 2 271.361 -0.131 20 0 CBADLP COC(=O)C[C@H]1C(=O)NCC[N@@H+]1CCCCCC[NH3+] ZINC000846221369 583356030 /nfs/dbraw/zinc/35/60/30/583356030.db2.gz XQMDVQLEBMGRGH-NSHDSACASA-N 2 2 271.361 -0.131 20 0 CBADLP CCCCOC(=O)CNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000846670376 583381694 /nfs/dbraw/zinc/38/16/94/583381694.db2.gz OKZQAVOFIPZOPN-JTQLQIEISA-N 2 2 259.350 -0.275 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCOc1cccnc1 ZINC000846673176 583382221 /nfs/dbraw/zinc/38/22/21/583382221.db2.gz OMTPYZZAJNDVJM-LBPRGKRZSA-N 2 2 266.345 -0.144 20 0 CBADLP C[C@H]1CN(C(=O)C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)CCO1 ZINC000846876992 583391124 /nfs/dbraw/zinc/39/11/24/583391124.db2.gz CNSXFIOGRXCTJT-LBPRGKRZSA-N 2 2 293.371 -0.221 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCN(OC)CC2)CC1 ZINC000846977972 583395004 /nfs/dbraw/zinc/39/50/04/583395004.db2.gz POXLXDZSYXMAHS-ZDUSSCGKSA-N 2 2 284.404 -0.282 20 0 CBADLP C[NH+](C)CCn1cc(CC[NH+]2CCOCC2)nn1 ZINC000849137859 583472225 /nfs/dbraw/zinc/47/22/25/583472225.db2.gz SCDAZJOTLKPXRJ-UHFFFAOYSA-N 2 2 253.350 -0.286 20 0 CBADLP C[C@@H](C[NH3+])NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000851664326 583519157 /nfs/dbraw/zinc/51/91/57/583519157.db2.gz XABZGHUFWPWJRO-WDEREUQCSA-N 2 2 256.350 -0.550 20 0 CBADLP C[NH+](C)CC(=O)N1CC[NH+](C[C@H]2CCC(=O)O2)CC1 ZINC000851726354 583523898 /nfs/dbraw/zinc/52/38/98/583523898.db2.gz OSUWOUXKZPHSEO-LLVKDONJSA-N 2 2 269.345 -0.602 20 0 CBADLP C[NH+](C)CC(=O)N1CC[NH+](C[C@@H](O)c2ccccn2)CC1 ZINC000851726577 583523928 /nfs/dbraw/zinc/52/39/28/583523928.db2.gz SMWLXAZZNCNOJZ-CQSZACIVSA-N 2 2 292.383 -0.179 20 0 CBADLP COC(CC[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1)OC ZINC000852210346 583540941 /nfs/dbraw/zinc/54/09/41/583540941.db2.gz BTULYVKRZZFLLS-UHFFFAOYSA-N 2 2 273.377 -0.299 20 0 CBADLP COC(CC[N@H+]1CCN(CC[NH+](C)C)C(=O)C1)OC ZINC000852210346 583540943 /nfs/dbraw/zinc/54/09/43/583540943.db2.gz BTULYVKRZZFLLS-UHFFFAOYSA-N 2 2 273.377 -0.299 20 0 CBADLP C[N@H+](C[C@H](O)C[NH+]1CCCC1)C[C@@H]1COCCO1 ZINC000852494802 583547583 /nfs/dbraw/zinc/54/75/83/583547583.db2.gz FNMZLZWHAMCJBX-QWHCGFSZSA-N 2 2 258.362 -0.210 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH+]1CCCC1)C[C@@H]1COCCO1 ZINC000852494802 583547584 /nfs/dbraw/zinc/54/75/84/583547584.db2.gz FNMZLZWHAMCJBX-QWHCGFSZSA-N 2 2 258.362 -0.210 20 0 CBADLP C[N@@H+]1CCN(C(=O)/C=C\c2ccc(C(N)=O)o2)[C@@H](C[NH3+])C1 ZINC000852798069 583553301 /nfs/dbraw/zinc/55/33/01/583553301.db2.gz FJIUAIMAZFIXLQ-ATPLWMGHSA-N 2 2 292.339 -0.507 20 0 CBADLP C[N@H+]1CCN(C(=O)/C=C\c2ccc(C(N)=O)o2)[C@@H](C[NH3+])C1 ZINC000852798069 583553302 /nfs/dbraw/zinc/55/33/02/583553302.db2.gz FJIUAIMAZFIXLQ-ATPLWMGHSA-N 2 2 292.339 -0.507 20 0 CBADLP CC(C)(CNC(=O)C1=NO[C@H](C[NH3+])C1)[NH+]1CCOCC1 ZINC000852853944 583561275 /nfs/dbraw/zinc/56/12/75/583561275.db2.gz AFEVZCKWPLZEOB-JTQLQIEISA-N 2 2 284.360 -0.683 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852860980 583562510 /nfs/dbraw/zinc/56/25/10/583562510.db2.gz XGJAHTQNUXIBHX-DTWKUNHWSA-N 2 2 251.290 -0.509 20 0 CBADLP [NH3+]C[C@@H]1CC(C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)=NO1 ZINC000852860760 583562606 /nfs/dbraw/zinc/56/26/06/583562606.db2.gz JQDHZOIHMMHMQW-NEPJUHHUSA-N 2 2 296.371 -0.587 20 0 CBADLP C[C@H](CNC(=O)C1=NO[C@@H](C[NH3+])C1)Cn1cc[nH+]c1 ZINC000852861108 583562912 /nfs/dbraw/zinc/56/29/12/583562912.db2.gz ORYAVANHUVDFBW-NXEZZACHSA-N 2 2 265.317 -0.261 20 0 CBADLP CN(CCCn1cc[nH+]c1)C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852887786 583569144 /nfs/dbraw/zinc/56/91/44/583569144.db2.gz BKLFKQUWONPOLV-SNVBAGLBSA-N 2 2 265.317 -0.165 20 0 CBADLP O=C(CO[C@H]1CCC[NH2+]C1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000852906717 583573294 /nfs/dbraw/zinc/57/32/94/583573294.db2.gz PMMQGOFKRVVQLK-KGLIPLIRSA-N 2 2 297.399 -0.312 20 0 CBADLP O=C(C=C1CC[NH2+]CC1)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000852914070 583574036 /nfs/dbraw/zinc/57/40/36/583574036.db2.gz MABBAXQHQGCMIF-AWEZNQCLSA-N 2 2 278.400 -0.198 20 0 CBADLP O=C(C=C1CC[NH2+]CC1)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000852914070 583574037 /nfs/dbraw/zinc/57/40/37/583574037.db2.gz MABBAXQHQGCMIF-AWEZNQCLSA-N 2 2 278.400 -0.198 20 0 CBADLP CN(Cc1c[nH+]c[nH]1)C(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000852922092 583574986 /nfs/dbraw/zinc/57/49/86/583574986.db2.gz VHSQIJZYTOSSJR-AWEZNQCLSA-N 2 2 291.355 -0.277 20 0 CBADLP CN(Cc1c[nH]c[nH+]1)C(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000852922092 583574988 /nfs/dbraw/zinc/57/49/88/583574988.db2.gz VHSQIJZYTOSSJR-AWEZNQCLSA-N 2 2 291.355 -0.277 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCCn1cncn1 ZINC000853638468 583587343 /nfs/dbraw/zinc/58/73/43/583587343.db2.gz PTKLALLSYAKKOK-UHFFFAOYSA-N 2 2 297.407 -0.539 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCCn1cncn1 ZINC000853638468 583587344 /nfs/dbraw/zinc/58/73/44/583587344.db2.gz PTKLALLSYAKKOK-UHFFFAOYSA-N 2 2 297.407 -0.539 20 0 CBADLP C[NH+](C)C[C@H](CO)NC(=O)c1cccc2[nH+]ccn21 ZINC000854466879 583604417 /nfs/dbraw/zinc/60/44/17/583604417.db2.gz NHHAKZFOWYLNMJ-SNVBAGLBSA-N 2 2 262.313 -0.013 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1CSC(=O)N1 ZINC000855417231 583638862 /nfs/dbraw/zinc/63/88/62/583638862.db2.gz VYSUGHFWNVJHQT-JTQLQIEISA-N 2 2 288.417 -0.189 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1CSC(=O)N1 ZINC000855417231 583638864 /nfs/dbraw/zinc/63/88/64/583638864.db2.gz VYSUGHFWNVJHQT-JTQLQIEISA-N 2 2 288.417 -0.189 20 0 CBADLP C[C@H]1OC(=O)N[C@@H]1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000855415559 583638894 /nfs/dbraw/zinc/63/88/94/583638894.db2.gz ZIGDKMPIHAZBCI-MNOVXSKESA-N 2 2 286.376 -0.517 20 0 CBADLP C[C@H]1OC(=O)N[C@@H]1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000855415559 583638897 /nfs/dbraw/zinc/63/88/97/583638897.db2.gz ZIGDKMPIHAZBCI-MNOVXSKESA-N 2 2 286.376 -0.517 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cc1ncc[nH]1 ZINC000855415549 583638993 /nfs/dbraw/zinc/63/89/93/583638993.db2.gz YZTGBFPSVKSPEY-UHFFFAOYSA-N 2 2 267.377 -0.048 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cc1ncc[nH]1 ZINC000855415549 583638995 /nfs/dbraw/zinc/63/89/95/583638995.db2.gz YZTGBFPSVKSPEY-UHFFFAOYSA-N 2 2 267.377 -0.048 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC000855415549 583638999 /nfs/dbraw/zinc/63/89/99/583638999.db2.gz YZTGBFPSVKSPEY-UHFFFAOYSA-N 3 2 267.377 -0.048 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC000855415549 583639001 /nfs/dbraw/zinc/63/90/01/583639001.db2.gz YZTGBFPSVKSPEY-UHFFFAOYSA-N 3 2 267.377 -0.048 20 0 CBADLP Cn1ncc(CCC(=O)NCC[N@H+](C)CCC[NH+](C)C)n1 ZINC000855417674 583639034 /nfs/dbraw/zinc/63/90/34/583639034.db2.gz MQXICFRZALGTHB-UHFFFAOYSA-N 2 2 296.419 -0.253 20 0 CBADLP Cn1ncc(CCC(=O)NCC[N@@H+](C)CCC[NH+](C)C)n1 ZINC000855417674 583639036 /nfs/dbraw/zinc/63/90/36/583639036.db2.gz MQXICFRZALGTHB-UHFFFAOYSA-N 2 2 296.419 -0.253 20 0 CBADLP Cn1cc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)[nH]c1=O ZINC000855415337 583639146 /nfs/dbraw/zinc/63/91/46/583639146.db2.gz VMLHHOVXZVKRAR-UHFFFAOYSA-N 2 2 283.376 -0.261 20 0 CBADLP Cn1cc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)[nH]c1=O ZINC000855415337 583639149 /nfs/dbraw/zinc/63/91/49/583639149.db2.gz VMLHHOVXZVKRAR-UHFFFAOYSA-N 2 2 283.376 -0.261 20 0 CBADLP C[NH+](C)CC(=O)N1Cc2ccc[nH+]c2N2C[C@H](O)C[C@H]2C1 ZINC000856610210 583659445 /nfs/dbraw/zinc/65/94/45/583659445.db2.gz UIBJVWJJQCTBMI-QWHCGFSZSA-N 2 2 290.367 -0.075 20 0 CBADLP C[NH+]1CCN(C(=O)CC[NH2+]Cc2cnccn2)CC1 ZINC000856768195 583660772 /nfs/dbraw/zinc/66/07/72/583660772.db2.gz BYBULOMYOLIQSJ-UHFFFAOYSA-N 2 2 263.345 -0.270 20 0 CBADLP C[C@H]([NH3+])CCNC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000857112055 583665620 /nfs/dbraw/zinc/66/56/20/583665620.db2.gz DIXBQLBRKOAPDY-NWDGAFQWSA-N 2 2 288.392 -0.942 20 0 CBADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1cnccn1 ZINC000858224395 583688439 /nfs/dbraw/zinc/68/84/39/583688439.db2.gz DZXSFIUTIGGTNA-LBPRGKRZSA-N 2 2 263.345 -0.094 20 0 CBADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cnccn1 ZINC000858224395 583688441 /nfs/dbraw/zinc/68/84/41/583688441.db2.gz DZXSFIUTIGGTNA-LBPRGKRZSA-N 2 2 263.345 -0.094 20 0 CBADLP COC(=O)N1CCC([NH2+]CC[N@@H+]2CC[C@H](O)C2)CC1 ZINC000858339208 583691717 /nfs/dbraw/zinc/69/17/17/583691717.db2.gz RUNFMSUALHUZBN-LBPRGKRZSA-N 2 2 271.361 -0.127 20 0 CBADLP COC(=O)N1CCC([NH2+]CC[N@H+]2CC[C@H](O)C2)CC1 ZINC000858339208 583691719 /nfs/dbraw/zinc/69/17/19/583691719.db2.gz RUNFMSUALHUZBN-LBPRGKRZSA-N 2 2 271.361 -0.127 20 0 CBADLP C[N@H+](C[C@@H](O)C[NH+]1C[C@@H]2COC(=O)[C@@H]2C1)C1CC1 ZINC000860167867 583740576 /nfs/dbraw/zinc/74/05/76/583740576.db2.gz LZDFQKJTDFVNJQ-YUSALJHKSA-N 2 2 254.330 -0.454 20 0 CBADLP C[N@@H+](C[C@@H](O)C[NH+]1C[C@@H]2COC(=O)[C@@H]2C1)C1CC1 ZINC000860167867 583740577 /nfs/dbraw/zinc/74/05/77/583740577.db2.gz LZDFQKJTDFVNJQ-YUSALJHKSA-N 2 2 254.330 -0.454 20 0 CBADLP C[NH+](C[C@@H](O)C[N@@H+]1C[C@@H]2COC(=O)[C@@H]2C1)C1CC1 ZINC000860167867 583740579 /nfs/dbraw/zinc/74/05/79/583740579.db2.gz LZDFQKJTDFVNJQ-YUSALJHKSA-N 2 2 254.330 -0.454 20 0 CBADLP C[NH+](C[C@@H](O)C[N@H+]1C[C@@H]2COC(=O)[C@@H]2C1)C1CC1 ZINC000860167867 583740581 /nfs/dbraw/zinc/74/05/81/583740581.db2.gz LZDFQKJTDFVNJQ-YUSALJHKSA-N 2 2 254.330 -0.454 20 0 CBADLP C[NH+]1CCN(CC(=O)N2CC[NH+](CCCF)CC2)CC1 ZINC000862112667 583800321 /nfs/dbraw/zinc/80/03/21/583800321.db2.gz RRPMDYRSIGSHGG-UHFFFAOYSA-N 2 2 286.395 -0.262 20 0 CBADLP CON(C)C(=O)[C@@H](C)[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000863548720 583846311 /nfs/dbraw/zinc/84/63/11/583846311.db2.gz SBQOFVFORRVRQF-GMTAPVOTSA-N 2 2 259.350 -0.249 20 0 CBADLP CON(C)C(=O)[C@@H](C)[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000863548722 583846391 /nfs/dbraw/zinc/84/63/91/583846391.db2.gz SBQOFVFORRVRQF-MXWKQRLJSA-N 2 2 259.350 -0.249 20 0 CBADLP C[C@H]([NH2+]C1CC1)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000863583045 583847698 /nfs/dbraw/zinc/84/76/98/583847698.db2.gz LTNHHOGUXGDTIN-WCQYABFASA-N 2 2 285.388 -0.722 20 0 CBADLP CC(C)([NH3+])C[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863642436 583850068 /nfs/dbraw/zinc/85/00/68/583850068.db2.gz OJYXLGPAQFIJLW-NEPJUHHUSA-N 3 2 282.388 -0.019 20 0 CBADLP O=C1OC[C@@]2(C[NH2+]Cc3c[nH+]c[nH]3)COCCN12 ZINC000864054610 583866248 /nfs/dbraw/zinc/86/62/48/583866248.db2.gz WQNYXOYAYUSORV-LLVKDONJSA-N 2 2 252.274 -0.280 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000864078797 583871998 /nfs/dbraw/zinc/87/19/98/583871998.db2.gz QPHHBAQXUSWPHZ-NSHDSACASA-N 2 2 252.318 -0.674 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000864078797 583871999 /nfs/dbraw/zinc/87/19/99/583871999.db2.gz QPHHBAQXUSWPHZ-NSHDSACASA-N 2 2 252.318 -0.674 20 0 CBADLP C[C@@H](O)C[NH+]1CCN(C(=O)/C=C\C[NH+]2CCOCC2)CC1 ZINC000865190510 583899920 /nfs/dbraw/zinc/89/99/20/583899920.db2.gz VBJMXPHAQGFEHM-PYLYLYNFSA-N 2 2 297.399 -0.600 20 0 CBADLP CC(C)(O)C[NH+]1CCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)CC1 ZINC000865196718 583900287 /nfs/dbraw/zinc/90/02/87/583900287.db2.gz PDCXOPAYCAPSBH-LLVKDONJSA-N 2 2 282.344 -0.642 20 0 CBADLP C[NH+]1CCC(O)(CNC(=O)/C=C/C[NH+]2CCOCC2)CC1 ZINC000866222697 583918556 /nfs/dbraw/zinc/91/85/56/583918556.db2.gz QFTXROSKYGOBPJ-NSCUHMNNSA-N 2 2 297.399 -0.552 20 0 CBADLP Cn1nnnc1CC[N@@H+]1CC2CCC1(C[NH3+])CC2 ZINC000866668475 583926461 /nfs/dbraw/zinc/92/64/61/583926461.db2.gz DTOBZOOUOWKHCT-UHFFFAOYSA-N 2 2 250.350 -0.044 20 0 CBADLP Cn1nnnc1CC[N@H+]1CC2CCC1(C[NH3+])CC2 ZINC000866668475 583926464 /nfs/dbraw/zinc/92/64/64/583926464.db2.gz DTOBZOOUOWKHCT-UHFFFAOYSA-N 2 2 250.350 -0.044 20 0 CBADLP C[N@@H+]1CC[C@@H]2C[NH+](CCC(=O)N3CC[NH2+]CC3)CC[C@H]21 ZINC000866703170 583927864 /nfs/dbraw/zinc/92/78/64/583927864.db2.gz GEXAFMAKZSYIAG-ZIAGYGMSSA-N 3 2 280.416 -0.166 20 0 CBADLP C[N@H+]1CC[C@@H]2C[NH+](CCC(=O)N3CC[NH2+]CC3)CC[C@H]21 ZINC000866703170 583927865 /nfs/dbraw/zinc/92/78/65/583927865.db2.gz GEXAFMAKZSYIAG-ZIAGYGMSSA-N 3 2 280.416 -0.166 20 0 CBADLP C[NH+]1CC[C@@H]2C[N@H+](CCC(=O)N3CC[NH2+]CC3)CC[C@H]21 ZINC000866703170 583927866 /nfs/dbraw/zinc/92/78/66/583927866.db2.gz GEXAFMAKZSYIAG-ZIAGYGMSSA-N 3 2 280.416 -0.166 20 0 CBADLP C[NH+]1CC[C@@H]2C[N@@H+](CCC(=O)N3CC[NH2+]CC3)CC[C@H]21 ZINC000866703170 583927867 /nfs/dbraw/zinc/92/78/67/583927867.db2.gz GEXAFMAKZSYIAG-ZIAGYGMSSA-N 3 2 280.416 -0.166 20 0 CBADLP C[NH2+]CCC[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866714816 583928347 /nfs/dbraw/zinc/92/83/47/583928347.db2.gz YDROQPCAACKPRW-TUAOUCFPSA-N 3 2 268.361 -0.537 20 0 CBADLP C[NH2+]CCC[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866714816 583928348 /nfs/dbraw/zinc/92/83/48/583928348.db2.gz YDROQPCAACKPRW-TUAOUCFPSA-N 3 2 268.361 -0.537 20 0 CBADLP COC(=O)[C@H](C)[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866713883 583928411 /nfs/dbraw/zinc/92/84/11/583928411.db2.gz AEKCSXLMUCKCPM-MMWGEVLESA-N 2 2 283.328 -0.585 20 0 CBADLP COC(=O)[C@H](C)[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866713883 583928413 /nfs/dbraw/zinc/92/84/13/583928413.db2.gz AEKCSXLMUCKCPM-MMWGEVLESA-N 2 2 283.328 -0.585 20 0 CBADLP COC(=O)CN(C)C(=O)CC[N@@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866723676 583928876 /nfs/dbraw/zinc/92/88/76/583928876.db2.gz IVMFJNJVYGOEPT-RYUDHWBXSA-N 2 2 283.372 -0.166 20 0 CBADLP COC(=O)CN(C)C(=O)CC[N@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866723676 583928877 /nfs/dbraw/zinc/92/88/77/583928877.db2.gz IVMFJNJVYGOEPT-RYUDHWBXSA-N 2 2 283.372 -0.166 20 0 CBADLP C[NH+](C)CCCS(=O)(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000866765140 583931486 /nfs/dbraw/zinc/93/14/86/583931486.db2.gz TZYCPPXOMDSHNV-VIFPVBQESA-N 2 2 285.360 -0.193 20 0 CBADLP CC[N@@H+]1CCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)C[C@@H]1C ZINC000866950163 583937649 /nfs/dbraw/zinc/93/76/49/583937649.db2.gz YRKBIJIXMHJCRU-ONGXEEELSA-N 2 2 252.318 -0.004 20 0 CBADLP CC[N@H+]1CCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)C[C@@H]1C ZINC000866950163 583937650 /nfs/dbraw/zinc/93/76/50/583937650.db2.gz YRKBIJIXMHJCRU-ONGXEEELSA-N 2 2 252.318 -0.004 20 0 CBADLP C[NH+](C)CCOCCNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000867242721 583945028 /nfs/dbraw/zinc/94/50/28/583945028.db2.gz DQPXFSPEONBDNO-ONEGZZNKSA-N 2 2 285.388 -0.431 20 0 CBADLP C[C@H]([NH3+])CNC(=O)Nc1cc2n(n1)CC[N@H+](C)C2 ZINC000868203937 583972783 /nfs/dbraw/zinc/97/27/83/583972783.db2.gz ITHRZCJWPQAIOK-QMMMGPOBSA-N 2 2 252.322 -0.203 20 0 CBADLP C[C@H]([NH3+])CNC(=O)Nc1cc2n(n1)CC[N@@H+](C)C2 ZINC000868203937 583972785 /nfs/dbraw/zinc/97/27/85/583972785.db2.gz ITHRZCJWPQAIOK-QMMMGPOBSA-N 2 2 252.322 -0.203 20 0 CBADLP C[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)CC1 ZINC000868418443 583978704 /nfs/dbraw/zinc/97/87/04/583978704.db2.gz KPUFJNIQUCAYAY-NEPJUHHUSA-N 2 2 280.372 -0.887 20 0 CBADLP CN(Cc1c[nH+]c[nH]1)C(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000868418941 583978740 /nfs/dbraw/zinc/97/87/40/583978740.db2.gz SSGBCNJJIWULKS-NWDGAFQWSA-N 2 2 291.355 -0.279 20 0 CBADLP CN(Cc1c[nH]c[nH+]1)C(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000868418941 583978742 /nfs/dbraw/zinc/97/87/42/583978742.db2.gz SSGBCNJJIWULKS-NWDGAFQWSA-N 2 2 291.355 -0.279 20 0 CBADLP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000868567241 583981908 /nfs/dbraw/zinc/98/19/08/583981908.db2.gz SHYWVPQUMJHVFD-IEBDPFPHSA-N 2 2 252.318 -0.006 20 0 CBADLP C[C@H]1C[N@H+](CCO)CCN1C(=O)/C=C/C[NH+]1CCOCC1 ZINC000868808835 583986848 /nfs/dbraw/zinc/98/68/48/583986848.db2.gz GARSXLCWTMFTAG-HSWBROFVSA-N 2 2 297.399 -0.600 20 0 CBADLP C[C@H]1C[N@@H+](CCO)CCN1C(=O)/C=C/C[NH+]1CCOCC1 ZINC000868808835 583986851 /nfs/dbraw/zinc/98/68/51/583986851.db2.gz GARSXLCWTMFTAG-HSWBROFVSA-N 2 2 297.399 -0.600 20 0 CBADLP CCC[N@H+](C)CC(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC000870069083 584008931 /nfs/dbraw/zinc/00/89/31/584008931.db2.gz XJNDLJYFCFLHFW-CQSZACIVSA-N 2 2 299.415 -0.112 20 0 CBADLP CCC[N@@H+](C)CC(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC000870069083 584008933 /nfs/dbraw/zinc/00/89/33/584008933.db2.gz XJNDLJYFCFLHFW-CQSZACIVSA-N 2 2 299.415 -0.112 20 0 CBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000870911174 584021174 /nfs/dbraw/zinc/02/11/74/584021174.db2.gz WERCWRLWUYXJTC-MGPQQGTHSA-N 2 2 299.415 -0.345 20 0 CBADLP CCO[C@@H]1COCC[C@@H]1CC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000870938405 584022263 /nfs/dbraw/zinc/02/22/63/584022263.db2.gz NTARPFMKKSVGLG-MGPQQGTHSA-N 2 2 299.415 -0.081 20 0 CBADLP CCO[C@@H]1COCC[C@@H]1CC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000870938405 584022264 /nfs/dbraw/zinc/02/22/64/584022264.db2.gz NTARPFMKKSVGLG-MGPQQGTHSA-N 2 2 299.415 -0.081 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1C[C@@H](O)CC(C)(C)C1 ZINC000870983547 584024211 /nfs/dbraw/zinc/02/42/11/584024211.db2.gz WBPXWCPCBVTQRH-QWRGUYRKSA-N 2 2 257.378 -0.115 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000870987515 584024481 /nfs/dbraw/zinc/02/44/81/584024481.db2.gz KNXJFWDDWMZPCE-LBPRGKRZSA-N 2 2 298.431 -0.053 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000870987515 584024482 /nfs/dbraw/zinc/02/44/82/584024482.db2.gz KNXJFWDDWMZPCE-LBPRGKRZSA-N 2 2 298.431 -0.053 20 0 CBADLP COC(=O)C[C@H]([NH3+])C(=O)N1CCN(C)c2[nH+]cccc2C1 ZINC000871021243 584025050 /nfs/dbraw/zinc/02/50/50/584025050.db2.gz PFWJQRZYTGQIPG-NSHDSACASA-N 2 2 292.339 -0.250 20 0 CBADLP O=C(NCC[NH+]1CCOCC1)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000871599876 584043072 /nfs/dbraw/zinc/04/30/72/584043072.db2.gz CYIWKWHUYOZVOH-JSGCOSHPSA-N 2 2 282.388 -0.098 20 0 CBADLP O=C(NCC[NH+]1CCOCC1)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000871599877 584043308 /nfs/dbraw/zinc/04/33/08/584043308.db2.gz CYIWKWHUYOZVOH-OCCSQVGLSA-N 2 2 282.388 -0.098 20 0 CBADLP CS(=O)(=O)NCC[N@@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872148554 584048138 /nfs/dbraw/zinc/04/81/38/584048138.db2.gz KCWTVEADYTZYLY-HTQZYQBOSA-N 2 2 289.323 -0.395 20 0 CBADLP CS(=O)(=O)NCC[N@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872148554 584048140 /nfs/dbraw/zinc/04/81/40/584048140.db2.gz KCWTVEADYTZYLY-HTQZYQBOSA-N 2 2 289.323 -0.395 20 0 CBADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872195920 584049080 /nfs/dbraw/zinc/04/90/80/584049080.db2.gz MYMOTCBSNMKPLW-IINYFYTJSA-N 2 2 291.355 -0.564 20 0 CBADLP CC(C)(O)C[C@H](O)C[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000872214780 584050498 /nfs/dbraw/zinc/05/04/98/584050498.db2.gz DXWZXRMALDWGLU-OLZOCXBDSA-N 2 2 274.405 -0.055 20 0 CBADLP CC(C)(O)C[C@H](O)C[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000872214780 584050501 /nfs/dbraw/zinc/05/05/01/584050501.db2.gz DXWZXRMALDWGLU-OLZOCXBDSA-N 2 2 274.405 -0.055 20 0 CBADLP C[C@H](O)[C@H](O)C[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000872225379 584051034 /nfs/dbraw/zinc/05/10/34/584051034.db2.gz JGJXZXPJOWIDJH-NWANDNLSSA-N 2 2 282.384 -0.189 20 0 CBADLP C[C@H](O)[C@H](O)C[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000872225379 584051036 /nfs/dbraw/zinc/05/10/36/584051036.db2.gz JGJXZXPJOWIDJH-NWANDNLSSA-N 2 2 282.384 -0.189 20 0 CBADLP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@H+](C[C@]23C[C@H]2C[NH2+]C3)C1 ZINC000872257871 584052307 /nfs/dbraw/zinc/05/23/07/584052307.db2.gz ZVWBETRAYPIICX-GGAZOKNXSA-N 3 2 292.383 -0.537 20 0 CBADLP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@@H+](C[C@]23C[C@H]2C[NH2+]C3)C1 ZINC000872257871 584052309 /nfs/dbraw/zinc/05/23/09/584052309.db2.gz ZVWBETRAYPIICX-GGAZOKNXSA-N 3 2 292.383 -0.537 20 0 CBADLP CN1CCN(C(=O)[C@@H]2OCC[C@@H]2[NH3+])Cc2ccc[nH+]c21 ZINC000872314507 584055449 /nfs/dbraw/zinc/05/54/49/584055449.db2.gz GVLUWVUMCJBHGB-NWDGAFQWSA-N 2 2 276.340 -0.024 20 0 CBADLP C[NH+]1CCC([N@H+](CCO)Cc2cnc(N)cn2)CC1 ZINC000873201738 584068511 /nfs/dbraw/zinc/06/85/11/584068511.db2.gz VSIZBALFABKEKA-UHFFFAOYSA-N 2 2 265.361 -0.053 20 0 CBADLP CN1C(=O)[C@H]2C[N@H+](CC[NH2+]C(C)(C)C)C[C@H]2C1=O ZINC000873219499 584068976 /nfs/dbraw/zinc/06/89/76/584068976.db2.gz JAJAGSJXMJGAFH-AOOOYVTPSA-N 2 2 253.346 -0.079 20 0 CBADLP CN1C(=O)[C@H]2C[N@@H+](CC[NH2+]C(C)(C)C)C[C@H]2C1=O ZINC000873219499 584068978 /nfs/dbraw/zinc/06/89/78/584068978.db2.gz JAJAGSJXMJGAFH-AOOOYVTPSA-N 2 2 253.346 -0.079 20 0 CBADLP C[C@H]([NH2+]C[C@@]12COCCN1C(=O)COC2)[C@@H]1CCCC[NH2+]1 ZINC000873266853 584069813 /nfs/dbraw/zinc/06/98/13/584069813.db2.gz RINWLKQMUMQAJY-YDHLFZDLSA-N 2 2 297.399 -0.266 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)C[NH+]2CCCC2)CCO1 ZINC000874265826 584079921 /nfs/dbraw/zinc/07/99/21/584079921.db2.gz BJJMUXYLRYRIQE-LBPRGKRZSA-N 2 2 255.362 -0.081 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)C[NH+]2CCCC2)CCO1 ZINC000874265826 584079923 /nfs/dbraw/zinc/07/99/23/584079923.db2.gz BJJMUXYLRYRIQE-LBPRGKRZSA-N 2 2 255.362 -0.081 20 0 CBADLP C[N@H+](CC(=O)N1CCC[NH+](CC(N)=O)CC1)CC(C)(C)C ZINC000874352877 584081864 /nfs/dbraw/zinc/08/18/64/584081864.db2.gz WDTBATAHLPUSBS-UHFFFAOYSA-N 2 2 298.431 -0.016 20 0 CBADLP C[N@@H+](CC(=O)N1CCC[NH+](CC(N)=O)CC1)CC(C)(C)C ZINC000874352877 584081867 /nfs/dbraw/zinc/08/18/67/584081867.db2.gz WDTBATAHLPUSBS-UHFFFAOYSA-N 2 2 298.431 -0.016 20 0 CBADLP C[NH+](CC(=O)N1CCC[N@H+](CC(N)=O)CC1)CC(C)(C)C ZINC000874352877 584081869 /nfs/dbraw/zinc/08/18/69/584081869.db2.gz WDTBATAHLPUSBS-UHFFFAOYSA-N 2 2 298.431 -0.016 20 0 CBADLP C[NH+](CC(=O)N1CCC[N@@H+](CC(N)=O)CC1)CC(C)(C)C ZINC000874352877 584081872 /nfs/dbraw/zinc/08/18/72/584081872.db2.gz WDTBATAHLPUSBS-UHFFFAOYSA-N 2 2 298.431 -0.016 20 0 CBADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC000874703118 584088863 /nfs/dbraw/zinc/08/88/63/584088863.db2.gz RDABGMUFTBEGGP-CHWSQXEVSA-N 2 2 285.388 -0.456 20 0 CBADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC000874703118 584088865 /nfs/dbraw/zinc/08/88/65/584088865.db2.gz RDABGMUFTBEGGP-CHWSQXEVSA-N 2 2 285.388 -0.456 20 0 CBADLP CC[C@@H]1COCC[NH+]1CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000874703118 584088867 /nfs/dbraw/zinc/08/88/67/584088867.db2.gz RDABGMUFTBEGGP-CHWSQXEVSA-N 2 2 285.388 -0.456 20 0 CBADLP CC[C@@H]1COCC[NH+]1CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000874703118 584088869 /nfs/dbraw/zinc/08/88/69/584088869.db2.gz RDABGMUFTBEGGP-CHWSQXEVSA-N 2 2 285.388 -0.456 20 0 CBADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)CN1CC[NH+](C)CC1 ZINC000874701803 584089089 /nfs/dbraw/zinc/08/90/89/584089089.db2.gz DMARKBMYLZJGLX-AWEZNQCLSA-N 2 2 298.431 -0.539 20 0 CBADLP CC[C@H]1COCC[N@H+]1CCNC(=O)CN1CC[NH+](C)CC1 ZINC000874701803 584089092 /nfs/dbraw/zinc/08/90/92/584089092.db2.gz DMARKBMYLZJGLX-AWEZNQCLSA-N 2 2 298.431 -0.539 20 0 CBADLP O=C(/C=C\C[NH+]1CCOCC1)NC[C@H]1CCC[NH2+]C1 ZINC000876513403 584130404 /nfs/dbraw/zinc/13/04/04/584130404.db2.gz LRHIAKGWQYZMDE-LSYFEZSPSA-N 2 2 267.373 -0.009 20 0 CBADLP CC(C)[C@H]([NH3+])CNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000876536877 584132085 /nfs/dbraw/zinc/13/20/85/584132085.db2.gz UBBATZJZRYBKPF-AAOUONPWSA-N 2 2 255.362 -0.026 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@H](F)[C@H]2CC[NH2+]C2)CC1 ZINC000876715706 584140474 /nfs/dbraw/zinc/14/04/74/584140474.db2.gz PRRPRFUPNUJIIK-NWDGAFQWSA-N 2 2 273.352 -0.275 20 0 CBADLP O=C(NCC[NH+]1CCOCC1)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876707494 584140575 /nfs/dbraw/zinc/14/05/75/584140575.db2.gz ICRHILYYABERJH-MNOVXSKESA-N 2 2 259.325 -0.618 20 0 CBADLP CN(C)c1[nH+]cccc1CNC(=O)[C@@H](N)C[NH+](C)C ZINC000876722727 584141000 /nfs/dbraw/zinc/14/10/00/584141000.db2.gz CMSDFRUGEINANE-NSHDSACASA-N 2 2 265.361 -0.347 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876723988 584141114 /nfs/dbraw/zinc/14/11/14/584141114.db2.gz KGHXFJQJACUHGJ-UTUOFQBUSA-N 2 2 273.352 -0.229 20 0 CBADLP C[NH+](C)C[C@H](N)C(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000876733010 584141660 /nfs/dbraw/zinc/14/16/60/584141660.db2.gz LXXUVBSPMBLODS-LBPRGKRZSA-N 2 2 288.355 -0.228 20 0 CBADLP COC[C@@]1(C(=O)NCCCCn2cc[nH+]c2)C[NH2+]CCO1 ZINC000876732518 584141797 /nfs/dbraw/zinc/14/17/97/584141797.db2.gz YCZAPVHHMJVNRS-CQSZACIVSA-N 2 2 296.371 -0.216 20 0 CBADLP C[C@@H](NC(=O)c1c(C[NH3+])cnn1C)[C@H](C)[NH+]1CCOCC1 ZINC000876756736 584142832 /nfs/dbraw/zinc/14/28/32/584142832.db2.gz XHMLGGRASZRDPN-MNOVXSKESA-N 2 2 295.387 -0.282 20 0 CBADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@@H]2C[C@@H]([NH3+])C2(C)C)CC1 ZINC000876774213 584143855 /nfs/dbraw/zinc/14/38/55/584143855.db2.gz OJAGHOBXZSJGCP-WDEREUQCSA-N 2 2 296.415 -0.232 20 0 CBADLP COCC[NH2+]CCNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000876792016 584144826 /nfs/dbraw/zinc/14/48/26/584144826.db2.gz LNAQUYAJUFZSHR-NSCUHMNNSA-N 2 2 271.361 -0.773 20 0 CBADLP [NH3+]CC(F)(F)CNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000876809271 584147252 /nfs/dbraw/zinc/14/72/52/584147252.db2.gz QQLJZQZBLHKJNX-UPHRSURJSA-N 2 2 263.288 -0.415 20 0 CBADLP C[C@@H](C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)N1CC[NH2+]CC1=O ZINC000876843734 584148690 /nfs/dbraw/zinc/14/86/90/584148690.db2.gz UBLGRVVXZZVABF-WFASDCNBSA-N 2 2 294.399 -0.591 20 0 CBADLP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000876846502 584149201 /nfs/dbraw/zinc/14/92/01/584149201.db2.gz CEVHAPHNBFTTGY-GHMZBOCLSA-N 2 2 255.362 -0.504 20 0 CBADLP [NH3+]CC[C@@H](NC(=O)/C=C\C[NH+]1CCOCC1)C(F)F ZINC000876864776 584150695 /nfs/dbraw/zinc/15/06/95/584150695.db2.gz VRKKHIKLZHURTC-JWXWKVPASA-N 2 2 277.315 -0.027 20 0 CBADLP O=C(/C=C/C[NH+]1CCOCC1)N[C@H]1C[NH2+]CCC1(F)F ZINC000876865868 584151072 /nfs/dbraw/zinc/15/10/72/584151072.db2.gz JCMCSPWUOWGCAR-GXFZAYBSSA-N 2 2 289.326 -0.012 20 0 CBADLP O=C(/C=C\C[NH+]1CCOCC1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000876865869 584151112 /nfs/dbraw/zinc/15/11/12/584151112.db2.gz JCMCSPWUOWGCAR-RFMOXSJOSA-N 2 2 289.326 -0.012 20 0 CBADLP COC[C@@]1(C(=O)N(C)CCCn2cc[nH+]c2)C[NH2+]CCO1 ZINC000876895199 584154030 /nfs/dbraw/zinc/15/40/30/584154030.db2.gz WXTYJDHSDWQVDG-CQSZACIVSA-N 2 2 296.371 -0.263 20 0 CBADLP C[C@H](C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1)N1CC[NH2+]CC1=O ZINC000876903089 584154461 /nfs/dbraw/zinc/15/44/61/584154461.db2.gz KIKSSOWTPKCAHM-GHMZBOCLSA-N 2 2 291.355 -0.107 20 0 CBADLP C[C@@H]1CN(C(=O)/C=C\C[NH+]2CCOCC2)C[C@H]1[NH3+] ZINC000876915129 584155248 /nfs/dbraw/zinc/15/52/48/584155248.db2.gz LUJLVUBEEXJZPE-JDEDCZITSA-N 2 2 253.346 -0.320 20 0 CBADLP [NH3+]C[C@@H]1CN(C(=O)/C=C\C[NH+]2CCOCC2)CCCO1 ZINC000876920404 584155633 /nfs/dbraw/zinc/15/56/33/584155633.db2.gz QJBPLOMUHCVUDV-GIDQFRGBSA-N 2 2 283.372 -0.549 20 0 CBADLP COC[C@@]1(C(=O)N(C)Cc2c[nH+]c[nH]2)C[NH2+]CCO1 ZINC000876957133 584158236 /nfs/dbraw/zinc/15/82/36/584158236.db2.gz UYDRIYYRTASBLJ-GFCCVEGCSA-N 2 2 268.317 -0.627 20 0 CBADLP COC[C@@]1(C(=O)N(C)Cc2c[nH]c[nH+]2)C[NH2+]CCO1 ZINC000876957133 584158239 /nfs/dbraw/zinc/15/82/39/584158239.db2.gz UYDRIYYRTASBLJ-GFCCVEGCSA-N 2 2 268.317 -0.627 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876960514 584158411 /nfs/dbraw/zinc/15/84/11/584158411.db2.gz FFIUIFRHOUJFRC-OLZOCXBDSA-N 3 2 288.411 -0.066 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876960514 584158412 /nfs/dbraw/zinc/15/84/12/584158412.db2.gz FFIUIFRHOUJFRC-OLZOCXBDSA-N 3 2 288.411 -0.066 20 0 CBADLP O=C([C@H](F)[C@@H]1CC[NH2+]C1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000876965795 584158609 /nfs/dbraw/zinc/15/86/09/584158609.db2.gz JZZYSNAULCBRSE-JHJVBQTASA-N 2 2 285.363 -0.133 20 0 CBADLP [NH3+][C@@H]1CN(C(=O)/C=C/C[NH+]2CCOCC2)CC[C@H]1F ZINC000876978467 584159365 /nfs/dbraw/zinc/15/93/65/584159365.db2.gz KYQUHGDONOQEKE-NUYITTKVSA-N 2 2 271.336 -0.228 20 0 CBADLP C[C@@]1(NC(=O)/C=C/C[NH+]2CCOCC2)CC[NH2+]C1 ZINC000876980852 584159675 /nfs/dbraw/zinc/15/96/75/584159675.db2.gz NZNHCVMCKXBACB-YWVDXFKGSA-N 2 2 253.346 -0.257 20 0 CBADLP C[C@@]1(NC(=O)/C=C\C[NH+]2CCOCC2)CC[NH2+]C1 ZINC000876980851 584159685 /nfs/dbraw/zinc/15/96/85/584159685.db2.gz NZNHCVMCKXBACB-XQJDBVBESA-N 2 2 253.346 -0.257 20 0 CBADLP C[NH2+]CCOCCN(C)C(=O)/C=C/C[NH+]1CCOCC1 ZINC000877029738 584162766 /nfs/dbraw/zinc/16/27/66/584162766.db2.gz MDQUFMKWLQYFQA-ONEGZZNKSA-N 2 2 285.388 -0.431 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000877035034 584163104 /nfs/dbraw/zinc/16/31/04/584163104.db2.gz SHLUNZWFGICJIF-GARJFASQSA-N 2 2 255.362 -0.193 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000877035034 584163106 /nfs/dbraw/zinc/16/31/06/584163106.db2.gz SHLUNZWFGICJIF-GARJFASQSA-N 2 2 255.362 -0.193 20 0 CBADLP O=C(/C=C/C[NH+]1CCOCC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000877168787 584168912 /nfs/dbraw/zinc/16/89/12/584168912.db2.gz UEVWSRFZFOQANS-NLMOASMRSA-N 2 2 251.330 -0.553 20 0 CBADLP C[C@]12C[NH2+]C[C@H]1CN(C(=O)/C=C\C[NH+]1CCOCC1)C2 ZINC000877370876 584179808 /nfs/dbraw/zinc/17/98/08/584179808.db2.gz HJAPMEIQQYNHKW-ZOBWKPMTSA-N 2 2 279.384 -0.057 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877388746 584180364 /nfs/dbraw/zinc/18/03/64/584180364.db2.gz FFBJIDFVQUIUIX-WFASDCNBSA-N 2 2 296.415 -0.156 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877388746 584180365 /nfs/dbraw/zinc/18/03/65/584180365.db2.gz FFBJIDFVQUIUIX-WFASDCNBSA-N 2 2 296.415 -0.156 20 0 CBADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000877433516 584181269 /nfs/dbraw/zinc/18/12/69/584181269.db2.gz VOUDCLJMIURHFT-RYUDHWBXSA-N 2 2 255.362 -0.035 20 0 CBADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000877433516 584181271 /nfs/dbraw/zinc/18/12/71/584181271.db2.gz VOUDCLJMIURHFT-RYUDHWBXSA-N 2 2 255.362 -0.035 20 0 CBADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000877433073 584181336 /nfs/dbraw/zinc/18/13/36/584181336.db2.gz ISFPCTUCWYJFMR-AAEUAGOBSA-N 2 2 273.352 -0.085 20 0 CBADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000877433073 584181338 /nfs/dbraw/zinc/18/13/38/584181338.db2.gz ISFPCTUCWYJFMR-AAEUAGOBSA-N 2 2 273.352 -0.085 20 0 CBADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@]1(COC)CC[NH2+]C1 ZINC000877434026 584181600 /nfs/dbraw/zinc/18/16/00/584181600.db2.gz MDNKODUZPHCBOH-DZGCQCFKSA-N 2 2 299.415 -0.161 20 0 CBADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@]1(COC)CC[NH2+]C1 ZINC000877434026 584181601 /nfs/dbraw/zinc/18/16/01/584181601.db2.gz MDNKODUZPHCBOH-DZGCQCFKSA-N 2 2 299.415 -0.161 20 0 CBADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CSC[NH2+]1 ZINC000877435141 584181975 /nfs/dbraw/zinc/18/19/75/584181975.db2.gz XSBDONMSSXJMSO-MNOVXSKESA-N 2 2 273.402 -0.124 20 0 CBADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CSC[NH2+]1 ZINC000877435141 584181977 /nfs/dbraw/zinc/18/19/77/584181977.db2.gz XSBDONMSSXJMSO-MNOVXSKESA-N 2 2 273.402 -0.124 20 0 CBADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000877434538 584182015 /nfs/dbraw/zinc/18/20/15/584182015.db2.gz RWPRJKLHLCIHBQ-UPJWGTAASA-N 2 2 285.388 -0.423 20 0 CBADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000877434538 584182017 /nfs/dbraw/zinc/18/20/17/584182017.db2.gz RWPRJKLHLCIHBQ-UPJWGTAASA-N 2 2 285.388 -0.423 20 0 CBADLP CN(C)c1[nH+]cc(C[N@@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)n1C ZINC000877719729 584184272 /nfs/dbraw/zinc/18/42/72/584184272.db2.gz GMIXMWKPQUZACX-PHIMTYICSA-N 2 2 291.355 -0.467 20 0 CBADLP CN(C)c1[nH+]cc(C[N@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)n1C ZINC000877719729 584184273 /nfs/dbraw/zinc/18/42/73/584184273.db2.gz GMIXMWKPQUZACX-PHIMTYICSA-N 2 2 291.355 -0.467 20 0 CBADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000877943646 584188608 /nfs/dbraw/zinc/18/86/08/584188608.db2.gz NCAQLPPRKSFSJR-ZDUSSCGKSA-N 2 2 296.415 -0.251 20 0 CBADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000877943646 584188610 /nfs/dbraw/zinc/18/86/10/584188610.db2.gz NCAQLPPRKSFSJR-ZDUSSCGKSA-N 2 2 296.415 -0.251 20 0 CBADLP C[NH+]1CCC(NC(=O)C[N@@H+]2CCC3(C2)OCCO3)CC1 ZINC000878236980 584197257 /nfs/dbraw/zinc/19/72/57/584197257.db2.gz SJVVBYZDJVWMFM-UHFFFAOYSA-N 2 2 283.372 -0.354 20 0 CBADLP C[NH+]1CCC(NC(=O)C[N@H+]2CCC3(C2)OCCO3)CC1 ZINC000878236980 584197258 /nfs/dbraw/zinc/19/72/58/584197258.db2.gz SJVVBYZDJVWMFM-UHFFFAOYSA-N 2 2 283.372 -0.354 20 0 CBADLP CC(C)C(=O)NCC[N@H+](C)CC(=O)NC1CC[NH+](C)CC1 ZINC000878334112 584200369 /nfs/dbraw/zinc/20/03/69/584200369.db2.gz OJTYCUNCJGAONB-UHFFFAOYSA-N 2 2 298.431 -0.099 20 0 CBADLP CC(C)C(=O)NCC[N@@H+](C)CC(=O)NC1CC[NH+](C)CC1 ZINC000878334112 584200371 /nfs/dbraw/zinc/20/03/71/584200371.db2.gz OJTYCUNCJGAONB-UHFFFAOYSA-N 2 2 298.431 -0.099 20 0 CBADLP c1nnnn1CC[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000878552432 584207890 /nfs/dbraw/zinc/20/78/90/584207890.db2.gz PCXUFRATIGZHQG-CYBMUJFWSA-N 2 2 280.376 -0.140 20 0 CBADLP c1nnnn1CC[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000878552432 584207892 /nfs/dbraw/zinc/20/78/92/584207892.db2.gz PCXUFRATIGZHQG-CYBMUJFWSA-N 2 2 280.376 -0.140 20 0 CBADLP c1nnnn1CC[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000878560851 584208536 /nfs/dbraw/zinc/20/85/36/584208536.db2.gz HHHGQSRHSYPXLH-ZDUSSCGKSA-N 2 2 280.376 -0.283 20 0 CBADLP c1nnnn1CC[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000878560851 584208537 /nfs/dbraw/zinc/20/85/37/584208537.db2.gz HHHGQSRHSYPXLH-ZDUSSCGKSA-N 2 2 280.376 -0.283 20 0 CBADLP C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@](F)(CO)C2)CC1 ZINC000878567996 584208993 /nfs/dbraw/zinc/20/89/93/584208993.db2.gz HCZIOFLTNCCMKS-ZDUSSCGKSA-N 2 2 273.352 -0.397 20 0 CBADLP C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@](F)(CO)C2)CC1 ZINC000878567996 584208996 /nfs/dbraw/zinc/20/89/96/584208996.db2.gz HCZIOFLTNCCMKS-ZDUSSCGKSA-N 2 2 273.352 -0.397 20 0 CBADLP COCC[C@H]1COCC[N@@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000878636307 584211078 /nfs/dbraw/zinc/21/10/78/584211078.db2.gz FIXDKFWIUIEENT-AWEZNQCLSA-N 2 2 299.415 -0.066 20 0 CBADLP COCC[C@H]1COCC[N@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000878636307 584211079 /nfs/dbraw/zinc/21/10/79/584211079.db2.gz FIXDKFWIUIEENT-AWEZNQCLSA-N 2 2 299.415 -0.066 20 0 CBADLP C[NH+](C)C[C@]1(O)CCC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC000878866547 584219435 /nfs/dbraw/zinc/21/94/35/584219435.db2.gz UXOKLGOQEXSZEJ-ZWNOBZJWSA-N 2 2 269.345 -0.820 20 0 CBADLP C[NH+](C)C[C@]1(O)CCC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC000878866547 584219436 /nfs/dbraw/zinc/21/94/36/584219436.db2.gz UXOKLGOQEXSZEJ-ZWNOBZJWSA-N 2 2 269.345 -0.820 20 0 CBADLP CON(C)C(=O)CC[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000879355679 584233059 /nfs/dbraw/zinc/23/30/59/584233059.db2.gz JHBUOVXEOYDWBC-UHFFFAOYSA-N 2 2 286.376 -0.898 20 0 CBADLP CON(C)C(=O)CC[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000879355679 584233060 /nfs/dbraw/zinc/23/30/60/584233060.db2.gz JHBUOVXEOYDWBC-UHFFFAOYSA-N 2 2 286.376 -0.898 20 0 CBADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H]1COC(C)(C)O1 ZINC000879355850 584233289 /nfs/dbraw/zinc/23/32/89/584233289.db2.gz PPFYGSMGUVAYBW-LBPRGKRZSA-N 2 2 285.388 -0.156 20 0 CBADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H]1COC(C)(C)O1 ZINC000879355850 584233290 /nfs/dbraw/zinc/23/32/90/584233290.db2.gz PPFYGSMGUVAYBW-LBPRGKRZSA-N 2 2 285.388 -0.156 20 0 CBADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H]1COC(C)(C)O1 ZINC000879355849 584233456 /nfs/dbraw/zinc/23/34/56/584233456.db2.gz PPFYGSMGUVAYBW-GFCCVEGCSA-N 2 2 285.388 -0.156 20 0 CBADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H]1COC(C)(C)O1 ZINC000879355849 584233458 /nfs/dbraw/zinc/23/34/58/584233458.db2.gz PPFYGSMGUVAYBW-GFCCVEGCSA-N 2 2 285.388 -0.156 20 0 CBADLP Cn1c(C[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)cc(=O)n(C)c1=O ZINC000879571139 584241065 /nfs/dbraw/zinc/24/10/65/584241065.db2.gz ICQKSGLQZCXBOS-WCQYABFASA-N 2 2 292.383 -0.390 20 0 CBADLP Cn1c(C[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)cc(=O)n(C)c1=O ZINC000879571139 584241067 /nfs/dbraw/zinc/24/10/67/584241067.db2.gz ICQKSGLQZCXBOS-WCQYABFASA-N 2 2 292.383 -0.390 20 0 CBADLP Cn1c(C[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)cc(=O)n(C)c1=O ZINC000879571139 584241068 /nfs/dbraw/zinc/24/10/68/584241068.db2.gz ICQKSGLQZCXBOS-WCQYABFASA-N 2 2 292.383 -0.390 20 0 CBADLP Cn1c(C[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)cc(=O)n(C)c1=O ZINC000879571139 584241070 /nfs/dbraw/zinc/24/10/70/584241070.db2.gz ICQKSGLQZCXBOS-WCQYABFASA-N 2 2 292.383 -0.390 20 0 CBADLP CN(C)S(=O)(=O)CC[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879583647 584241668 /nfs/dbraw/zinc/24/16/68/584241668.db2.gz YYMVVZXMFKPAHQ-NWDGAFQWSA-N 2 2 275.418 -0.096 20 0 CBADLP CN(C)S(=O)(=O)CC[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879583647 584241669 /nfs/dbraw/zinc/24/16/69/584241669.db2.gz YYMVVZXMFKPAHQ-NWDGAFQWSA-N 2 2 275.418 -0.096 20 0 CBADLP CN(C)S(=O)(=O)CC[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879583647 584241670 /nfs/dbraw/zinc/24/16/70/584241670.db2.gz YYMVVZXMFKPAHQ-NWDGAFQWSA-N 2 2 275.418 -0.096 20 0 CBADLP CN(C)S(=O)(=O)CC[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879583647 584241671 /nfs/dbraw/zinc/24/16/71/584241671.db2.gz YYMVVZXMFKPAHQ-NWDGAFQWSA-N 2 2 275.418 -0.096 20 0 CBADLP CN1CC(=O)N(CC[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)C1=O ZINC000879579682 584241801 /nfs/dbraw/zinc/24/18/01/584241801.db2.gz OFTJXYNBUWJWSW-NWDGAFQWSA-N 2 2 280.372 -0.094 20 0 CBADLP CN1CC(=O)N(CC[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)C1=O ZINC000879579682 584241803 /nfs/dbraw/zinc/24/18/03/584241803.db2.gz OFTJXYNBUWJWSW-NWDGAFQWSA-N 2 2 280.372 -0.094 20 0 CBADLP CN1CC(=O)N(CC[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)C1=O ZINC000879579682 584241805 /nfs/dbraw/zinc/24/18/05/584241805.db2.gz OFTJXYNBUWJWSW-NWDGAFQWSA-N 2 2 280.372 -0.094 20 0 CBADLP CN1CC(=O)N(CC[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)C1=O ZINC000879579682 584241806 /nfs/dbraw/zinc/24/18/06/584241806.db2.gz OFTJXYNBUWJWSW-NWDGAFQWSA-N 2 2 280.372 -0.094 20 0 CBADLP CN1CC(=O)N(CC[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)C1=O ZINC000879579683 584241823 /nfs/dbraw/zinc/24/18/23/584241823.db2.gz OFTJXYNBUWJWSW-RYUDHWBXSA-N 2 2 280.372 -0.094 20 0 CBADLP CN1CC(=O)N(CC[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)C1=O ZINC000879579683 584241825 /nfs/dbraw/zinc/24/18/25/584241825.db2.gz OFTJXYNBUWJWSW-RYUDHWBXSA-N 2 2 280.372 -0.094 20 0 CBADLP CN1CC(=O)N(CC[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)C1=O ZINC000879579683 584241826 /nfs/dbraw/zinc/24/18/26/584241826.db2.gz OFTJXYNBUWJWSW-RYUDHWBXSA-N 2 2 280.372 -0.094 20 0 CBADLP CN1CC(=O)N(CC[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)C1=O ZINC000879579683 584241829 /nfs/dbraw/zinc/24/18/29/584241829.db2.gz OFTJXYNBUWJWSW-RYUDHWBXSA-N 2 2 280.372 -0.094 20 0 CBADLP CN(C)S(=O)(=O)CC[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879583648 584241872 /nfs/dbraw/zinc/24/18/72/584241872.db2.gz YYMVVZXMFKPAHQ-RYUDHWBXSA-N 2 2 275.418 -0.096 20 0 CBADLP CN(C)S(=O)(=O)CC[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879583648 584241873 /nfs/dbraw/zinc/24/18/73/584241873.db2.gz YYMVVZXMFKPAHQ-RYUDHWBXSA-N 2 2 275.418 -0.096 20 0 CBADLP CN(C)S(=O)(=O)CC[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879583648 584241876 /nfs/dbraw/zinc/24/18/76/584241876.db2.gz YYMVVZXMFKPAHQ-RYUDHWBXSA-N 2 2 275.418 -0.096 20 0 CBADLP CN(C)S(=O)(=O)CC[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879583648 584241877 /nfs/dbraw/zinc/24/18/77/584241877.db2.gz YYMVVZXMFKPAHQ-RYUDHWBXSA-N 2 2 275.418 -0.096 20 0 CBADLP C[C@@H]1NC(=O)N(CC[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)C1=O ZINC000879580122 584241896 /nfs/dbraw/zinc/24/18/96/584241896.db2.gz RRKZFOZGUSHZGW-SRVKXCTJSA-N 2 2 280.372 -0.047 20 0 CBADLP C[C@@H]1NC(=O)N(CC[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)C1=O ZINC000879580122 584241897 /nfs/dbraw/zinc/24/18/97/584241897.db2.gz RRKZFOZGUSHZGW-SRVKXCTJSA-N 2 2 280.372 -0.047 20 0 CBADLP C[C@@H]1NC(=O)N(CC[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)C1=O ZINC000879580122 584241899 /nfs/dbraw/zinc/24/18/99/584241899.db2.gz RRKZFOZGUSHZGW-SRVKXCTJSA-N 2 2 280.372 -0.047 20 0 CBADLP C[C@@H]1NC(=O)N(CC[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)C1=O ZINC000879580122 584241901 /nfs/dbraw/zinc/24/19/01/584241901.db2.gz RRKZFOZGUSHZGW-SRVKXCTJSA-N 2 2 280.372 -0.047 20 0 CBADLP C[N@@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCN1C(=O)CNC1=O ZINC000880132720 584263777 /nfs/dbraw/zinc/26/37/77/584263777.db2.gz LVVMBRWRTBGZSA-QWRGUYRKSA-N 2 2 266.345 -0.293 20 0 CBADLP C[N@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCN1C(=O)CNC1=O ZINC000880132720 584263778 /nfs/dbraw/zinc/26/37/78/584263778.db2.gz LVVMBRWRTBGZSA-QWRGUYRKSA-N 2 2 266.345 -0.293 20 0 CBADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@@H+]2CCN1C(=O)CNC1=O ZINC000880132720 584263780 /nfs/dbraw/zinc/26/37/80/584263780.db2.gz LVVMBRWRTBGZSA-QWRGUYRKSA-N 2 2 266.345 -0.293 20 0 CBADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@H+]2CCN1C(=O)CNC1=O ZINC000880132720 584263782 /nfs/dbraw/zinc/26/37/82/584263782.db2.gz LVVMBRWRTBGZSA-QWRGUYRKSA-N 2 2 266.345 -0.293 20 0 CBADLP CNC(=O)C[NH+](CCCn1cc[nH+]c1C)CC(=O)NC ZINC000880152921 584264728 /nfs/dbraw/zinc/26/47/28/584264728.db2.gz ZNTTXTCDOGKUBR-UHFFFAOYSA-N 2 2 281.360 -0.624 20 0 CBADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+](CC(N)=O)C1CCOCC1 ZINC000880395067 584271036 /nfs/dbraw/zinc/27/10/36/584271036.db2.gz FKJNUEGVOKOCLO-CYBMUJFWSA-N 2 2 287.404 -0.346 20 0 CBADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](CC(N)=O)C1CCOCC1 ZINC000880395067 584271038 /nfs/dbraw/zinc/27/10/38/584271038.db2.gz FKJNUEGVOKOCLO-CYBMUJFWSA-N 2 2 287.404 -0.346 20 0 CBADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+](CC(N)=O)C1CCOCC1 ZINC000880395067 584271039 /nfs/dbraw/zinc/27/10/39/584271039.db2.gz FKJNUEGVOKOCLO-CYBMUJFWSA-N 2 2 287.404 -0.346 20 0 CBADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](CC(N)=O)C1CCOCC1 ZINC000880395067 584271041 /nfs/dbraw/zinc/27/10/41/584271041.db2.gz FKJNUEGVOKOCLO-CYBMUJFWSA-N 2 2 287.404 -0.346 20 0 CBADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC=C[C@H]2CO)CC1 ZINC000880483339 584275595 /nfs/dbraw/zinc/27/55/95/584275595.db2.gz GHOSHQDRTAFYPA-ZDUSSCGKSA-N 2 2 267.373 -0.180 20 0 CBADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CC=C[C@H]2CO)CC1 ZINC000880483339 584275597 /nfs/dbraw/zinc/27/55/97/584275597.db2.gz GHOSHQDRTAFYPA-ZDUSSCGKSA-N 2 2 267.373 -0.180 20 0 CBADLP COC(=O)[C@@]1(O)CC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000880559202 584279055 /nfs/dbraw/zinc/27/90/55/584279055.db2.gz BOBXYVRLOOWPDA-DGCLKSJQSA-N 2 2 272.345 -0.947 20 0 CBADLP COC(=O)[C@@]1(O)CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000880559202 584279057 /nfs/dbraw/zinc/27/90/57/584279057.db2.gz BOBXYVRLOOWPDA-DGCLKSJQSA-N 2 2 272.345 -0.947 20 0 CBADLP Cc1nonc1C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000883438897 584342448 /nfs/dbraw/zinc/34/24/48/584342448.db2.gz FKLOSBIRKQCSHU-WCQGTBRESA-N 2 2 293.327 -0.255 20 0 CBADLP Cc1nonc1C[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000883438897 584342450 /nfs/dbraw/zinc/34/24/50/584342450.db2.gz FKLOSBIRKQCSHU-WCQGTBRESA-N 2 2 293.327 -0.255 20 0 CBADLP Cn1c(C[N@@H+]2CC[NH2+]CCC23CCC3)cc(=O)n(C)c1=O ZINC000883458119 584343206 /nfs/dbraw/zinc/34/32/06/584343206.db2.gz XLGQYDGOGSXANC-UHFFFAOYSA-N 2 2 292.383 -0.198 20 0 CBADLP Cn1c(C[N@H+]2CC[NH2+]CCC23CCC3)cc(=O)n(C)c1=O ZINC000883458119 584343210 /nfs/dbraw/zinc/34/32/10/584343210.db2.gz XLGQYDGOGSXANC-UHFFFAOYSA-N 2 2 292.383 -0.198 20 0 CBADLP CS(=O)(=O)NCC[N@@H+]1CC[NH2+]CCC12CCC2 ZINC000883458576 584343333 /nfs/dbraw/zinc/34/33/33/584343333.db2.gz OWWKJPWUEBXFIJ-UHFFFAOYSA-N 2 2 261.391 -0.246 20 0 CBADLP CS(=O)(=O)NCC[N@H+]1CC[NH2+]CCC12CCC2 ZINC000883458576 584343334 /nfs/dbraw/zinc/34/33/34/584343334.db2.gz OWWKJPWUEBXFIJ-UHFFFAOYSA-N 2 2 261.391 -0.246 20 0 CBADLP C[N@@H+]1CCN(C(=O)Cc2ccc(F)cn2)[C@H](C[NH3+])C1 ZINC000884042018 584357337 /nfs/dbraw/zinc/35/73/37/584357337.db2.gz NSKQYQBQXJUYQG-GFCCVEGCSA-N 2 2 266.320 -0.136 20 0 CBADLP C[N@H+]1CCN(C(=O)Cc2ccc(F)cn2)[C@H](C[NH3+])C1 ZINC000884042018 584357339 /nfs/dbraw/zinc/35/73/39/584357339.db2.gz NSKQYQBQXJUYQG-GFCCVEGCSA-N 2 2 266.320 -0.136 20 0 CBADLP C[N@@H+]1CCN(C(=O)[C@H]2C[NH2+]CC2(C)C)[C@H](C[NH3+])C1 ZINC000884042055 584357373 /nfs/dbraw/zinc/35/73/73/584357373.db2.gz PACLUCAXMMAICB-GHMZBOCLSA-N 3 2 254.378 -0.667 20 0 CBADLP C[N@H+]1CCN(C(=O)[C@H]2C[NH2+]CC2(C)C)[C@H](C[NH3+])C1 ZINC000884042055 584357375 /nfs/dbraw/zinc/35/73/75/584357375.db2.gz PACLUCAXMMAICB-GHMZBOCLSA-N 3 2 254.378 -0.667 20 0 CBADLP COCC[C@H]([NH3+])C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000884212576 584367720 /nfs/dbraw/zinc/36/77/20/584367720.db2.gz IZOHMDZEIZCADI-SRVKXCTJSA-N 2 2 273.377 -0.424 20 0 CBADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@@H]2C[NH2+]CC2(C)C)CC1 ZINC000884228701 584368809 /nfs/dbraw/zinc/36/88/09/584368809.db2.gz WUQBVUVNJFFWAV-NSHDSACASA-N 2 2 296.415 -0.360 20 0 CBADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000884235106 584369369 /nfs/dbraw/zinc/36/93/69/584369369.db2.gz MJDWULUFRQLKIP-OLZOCXBDSA-N 2 2 282.432 -0.016 20 0 CBADLP CO[C@@H](C[NH3+])C(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000884401569 584379284 /nfs/dbraw/zinc/37/92/84/584379284.db2.gz UOGWTXKUPATRQJ-VWYCJHECSA-N 2 2 259.350 -0.815 20 0 CBADLP CO[C@@H](C[NH3+])C(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000884401569 584379286 /nfs/dbraw/zinc/37/92/86/584379286.db2.gz UOGWTXKUPATRQJ-VWYCJHECSA-N 2 2 259.350 -0.815 20 0 CBADLP C[C@@H]1CN(C(=O)C(=O)NCCCn2cc[nH+]c2)C[C@H]1C[NH3+] ZINC000884651682 584392921 /nfs/dbraw/zinc/39/29/21/584392921.db2.gz VZYVAIKZPJBIST-VXGBXAGGSA-N 2 2 293.371 -0.557 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000884913617 584404988 /nfs/dbraw/zinc/40/49/88/584404988.db2.gz YXHFIGAEZOHWSB-JOCQHMNTSA-N 2 2 296.415 -0.216 20 0 CBADLP CN(CC[NH3+])C(=O)C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000885023118 584407018 /nfs/dbraw/zinc/40/70/18/584407018.db2.gz WNVAQUJYNKJXQB-CYBMUJFWSA-N 2 2 290.367 -0.294 20 0 CBADLP CN(CC[NH3+])C(=O)C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000885023118 584407020 /nfs/dbraw/zinc/40/70/20/584407020.db2.gz WNVAQUJYNKJXQB-CYBMUJFWSA-N 2 2 290.367 -0.294 20 0 CBADLP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CCS(N)(=O)=O ZINC000887133145 584463855 /nfs/dbraw/zinc/46/38/55/584463855.db2.gz VCWHETFVXICXPS-NSHDSACASA-N 2 2 284.385 -0.119 20 0 CBADLP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CCS(N)(=O)=O ZINC000887133145 584463856 /nfs/dbraw/zinc/46/38/56/584463856.db2.gz VCWHETFVXICXPS-NSHDSACASA-N 2 2 284.385 -0.119 20 0 CBADLP CN1CCN(C(=O)C2([NH+](C)C)CC2)CC[N@H+](C)CC1 ZINC000888982099 584510773 /nfs/dbraw/zinc/51/07/73/584510773.db2.gz FLMJSEDQWZPLOY-UHFFFAOYSA-N 2 2 268.405 -0.214 20 0 CBADLP CN1CCN(C(=O)C2([NH+](C)C)CC2)CC[N@@H+](C)CC1 ZINC000888982099 584510774 /nfs/dbraw/zinc/51/07/74/584510774.db2.gz FLMJSEDQWZPLOY-UHFFFAOYSA-N 2 2 268.405 -0.214 20 0 CBADLP C[N@@H+]1C[C@@H]2CN(C(=O)NCC[NH+]3CCOCC3)C[C@]2(C)C1 ZINC000891449255 584581945 /nfs/dbraw/zinc/58/19/45/584581945.db2.gz PXSAEMREABQPNZ-HIFRSBDPSA-N 2 2 296.415 -0.088 20 0 CBADLP C[N@H+]1C[C@@H]2CN(C(=O)NCC[NH+]3CCOCC3)C[C@]2(C)C1 ZINC000891449255 584581948 /nfs/dbraw/zinc/58/19/48/584581948.db2.gz PXSAEMREABQPNZ-HIFRSBDPSA-N 2 2 296.415 -0.088 20 0 CBADLP CC1(C)C[N@H+](CCNC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CCO1 ZINC000891469875 584582359 /nfs/dbraw/zinc/58/23/59/584582359.db2.gz AKHGJSHMEJFOPY-RYUDHWBXSA-N 2 2 282.388 -0.147 20 0 CBADLP CC1(C)C[N@@H+](CCNC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CCO1 ZINC000891469875 584582362 /nfs/dbraw/zinc/58/23/62/584582362.db2.gz AKHGJSHMEJFOPY-RYUDHWBXSA-N 2 2 282.388 -0.147 20 0 CBADLP CN(C)c1cc(N2CCN(C(=O)C[NH+](C)C)CC2)nc[nH+]1 ZINC000891763683 584591893 /nfs/dbraw/zinc/59/18/93/584591893.db2.gz DDHNFZWBJPUXHJ-UHFFFAOYSA-N 2 2 292.387 -0.247 20 0 CBADLP CN(C)c1cc(N2CCN(C(=O)C[NH+](C)C)CC2)[nH+]cn1 ZINC000891763683 584591896 /nfs/dbraw/zinc/59/18/96/584591896.db2.gz DDHNFZWBJPUXHJ-UHFFFAOYSA-N 2 2 292.387 -0.247 20 0 CBADLP O=C(N[C@@H]1CCn2cc[nH+]c2C1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891819197 584592613 /nfs/dbraw/zinc/59/26/13/584592613.db2.gz OONUCWVTVDMRTL-VWYCJHECSA-N 2 2 261.329 -0.046 20 0 CBADLP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000892286758 584612392 /nfs/dbraw/zinc/61/23/92/584612392.db2.gz BDKYBUCZTXPVFP-VWYCJHECSA-N 2 2 256.350 -0.552 20 0 CBADLP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NC[C@H]1COCC[N@H+]1C ZINC000892286758 584612395 /nfs/dbraw/zinc/61/23/95/584612395.db2.gz BDKYBUCZTXPVFP-VWYCJHECSA-N 2 2 256.350 -0.552 20 0 CBADLP Cc1cc(N)nc(N2CC[NH+](C[C@@H](C)O)CC2)[nH+]1 ZINC000892313710 584614669 /nfs/dbraw/zinc/61/46/69/584614669.db2.gz POCCDGNXCLGORC-SNVBAGLBSA-N 2 2 251.334 -0.130 20 0 CBADLP C[N@@H+]1CCN(C(=O)N[C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)[C@@H](C[NH3+])C1 ZINC000892427918 584616720 /nfs/dbraw/zinc/61/67/20/584616720.db2.gz SHAKMGJNFRLNOT-XNBXPENISA-N 2 2 294.399 -0.306 20 0 CBADLP C[N@H+]1CCN(C(=O)N[C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)[C@@H](C[NH3+])C1 ZINC000892427918 584616722 /nfs/dbraw/zinc/61/67/22/584616722.db2.gz SHAKMGJNFRLNOT-XNBXPENISA-N 2 2 294.399 -0.306 20 0 CBADLP C[N@@H+]1CCN(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)[C@H](C[NH3+])C1 ZINC000892549552 584618493 /nfs/dbraw/zinc/61/84/93/584618493.db2.gz WHMOZHWTAJZKDB-OUAUKWLOSA-N 3 2 255.366 -0.992 20 0 CBADLP C[N@H+]1CCN(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)[C@H](C[NH3+])C1 ZINC000892549552 584618496 /nfs/dbraw/zinc/61/84/96/584618496.db2.gz WHMOZHWTAJZKDB-OUAUKWLOSA-N 3 2 255.366 -0.992 20 0 CBADLP C[N@@H+]1CCN(C(=O)NCCC[C@H]2CCOC2=O)[C@H](C[NH3+])C1 ZINC000892707559 584623250 /nfs/dbraw/zinc/62/32/50/584623250.db2.gz HBEGDGZBCVKCMR-NWDGAFQWSA-N 2 2 298.387 -0.386 20 0 CBADLP C[N@H+]1CCN(C(=O)NCCC[C@H]2CCOC2=O)[C@H](C[NH3+])C1 ZINC000892707559 584623253 /nfs/dbraw/zinc/62/32/53/584623253.db2.gz HBEGDGZBCVKCMR-NWDGAFQWSA-N 2 2 298.387 -0.386 20 0 CBADLP Cc1cc(N)nc(N2CC[N@@H+](CCO)C[C@@H]2C)[nH+]1 ZINC000894133262 584651917 /nfs/dbraw/zinc/65/19/17/584651917.db2.gz DQTLZIHKBXYQBJ-JTQLQIEISA-N 2 2 251.334 -0.130 20 0 CBADLP Cc1cc(N)nc(N2CC[N@H+](CCO)C[C@@H]2C)[nH+]1 ZINC000894133262 584651919 /nfs/dbraw/zinc/65/19/19/584651919.db2.gz DQTLZIHKBXYQBJ-JTQLQIEISA-N 2 2 251.334 -0.130 20 0 CBADLP O=S1(=O)CCCN1CCC[NH2+]Cc1c[nH+]c[nH]1 ZINC000894243317 584654430 /nfs/dbraw/zinc/65/44/30/584654430.db2.gz JUXXUYYAVRIIGT-UHFFFAOYSA-N 2 2 258.347 -0.075 20 0 CBADLP COC(=O)[C@@H]1[C@H](C[NH2+]C[C@H]2C[N@H+](C)CCN2C)C1(F)F ZINC000894255769 584654446 /nfs/dbraw/zinc/65/44/46/584654446.db2.gz INZRNJJPLTVVOP-DCAQKATOSA-N 2 2 291.342 -0.124 20 0 CBADLP COC(=O)[C@@H]1[C@H](C[NH2+]C[C@H]2C[N@@H+](C)CCN2C)C1(F)F ZINC000894255769 584654447 /nfs/dbraw/zinc/65/44/47/584654447.db2.gz INZRNJJPLTVVOP-DCAQKATOSA-N 2 2 291.342 -0.124 20 0 CBADLP c1ncc(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)[nH]1 ZINC000894257071 584654553 /nfs/dbraw/zinc/65/45/53/584654553.db2.gz YPUDNPBUTWCCQX-ZDUSSCGKSA-N 2 2 279.388 -0.094 20 0 CBADLP Cn1c[nH+]cc1CNC(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC000894912245 584667207 /nfs/dbraw/zinc/66/72/07/584667207.db2.gz CADRYQRERMXGHR-UHFFFAOYSA-N 2 2 294.403 -0.191 20 0 CBADLP Cn1c[nH+]cc1CNC(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC000894912245 584667210 /nfs/dbraw/zinc/66/72/10/584667210.db2.gz CADRYQRERMXGHR-UHFFFAOYSA-N 2 2 294.403 -0.191 20 0 CBADLP COC(=O)CCNC(=O)CC[NH2+]Cc1c[nH+]c[nH]1 ZINC000895406590 584678419 /nfs/dbraw/zinc/67/84/19/584678419.db2.gz UKPHNFIXSFAFAJ-UHFFFAOYSA-N 2 2 254.290 -0.431 20 0 CBADLP C[N@H+](CC[NH2+][C@@H]1CCCNC(=O)C1)CCOCCO ZINC000895661416 584683899 /nfs/dbraw/zinc/68/38/99/584683899.db2.gz HLLROEQIGPXSAB-GFCCVEGCSA-N 2 2 273.377 -0.815 20 0 CBADLP C[N@@H+](CC[NH2+][C@@H]1CCCNC(=O)C1)CCOCCO ZINC000895661416 584683902 /nfs/dbraw/zinc/68/39/02/584683902.db2.gz HLLROEQIGPXSAB-GFCCVEGCSA-N 2 2 273.377 -0.815 20 0 CBADLP COC(=O)[C@@]1(O)CC[N@H+](Cc2c[nH+]c(C)n2C)C1 ZINC000895703136 584686049 /nfs/dbraw/zinc/68/60/49/584686049.db2.gz YVNDESWFKHQJMQ-GFCCVEGCSA-N 2 2 253.302 -0.162 20 0 CBADLP COC(=O)[C@@]1(O)CC[N@@H+](Cc2c[nH+]c(C)n2C)C1 ZINC000895703136 584686050 /nfs/dbraw/zinc/68/60/50/584686050.db2.gz YVNDESWFKHQJMQ-GFCCVEGCSA-N 2 2 253.302 -0.162 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)C2C[NH+]([C@@H]3CCOC3)C2)CCO1 ZINC000896042264 584691613 /nfs/dbraw/zinc/69/16/13/584691613.db2.gz GBLSRTQBFMBOJY-GXTWGEPZSA-N 2 2 297.399 -0.456 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)C2C[NH+]([C@@H]3CCOC3)C2)CCO1 ZINC000896042264 584691615 /nfs/dbraw/zinc/69/16/15/584691615.db2.gz GBLSRTQBFMBOJY-GXTWGEPZSA-N 2 2 297.399 -0.456 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000896102086 584692141 /nfs/dbraw/zinc/69/21/41/584692141.db2.gz IMKRWRNIWWLSSD-CQSZACIVSA-N 2 2 297.399 -0.502 20 0 CBADLP O=C(NCc1[nH]cc[nH+]1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000896306759 584695241 /nfs/dbraw/zinc/69/52/41/584695241.db2.gz YXZRNAZBDSAIFN-SNVBAGLBSA-N 2 2 250.302 -0.253 20 0 CBADLP Cc1[nH+]cc(C[N@@H+]2CC[C@H](CS(N)(=O)=O)C2)n1C ZINC000897054016 584707975 /nfs/dbraw/zinc/70/79/75/584707975.db2.gz UNYNOHDQWOZVEW-JTQLQIEISA-N 2 2 272.374 -0.161 20 0 CBADLP Cc1[nH+]cc(C[N@H+]2CC[C@H](CS(N)(=O)=O)C2)n1C ZINC000897054016 584707977 /nfs/dbraw/zinc/70/79/77/584707977.db2.gz UNYNOHDQWOZVEW-JTQLQIEISA-N 2 2 272.374 -0.161 20 0 CBADLP C[C@H](NC(=O)C1C[NH+]([C@@H]2CCOC2)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000897078238 584708510 /nfs/dbraw/zinc/70/85/10/584708510.db2.gz SPIFSJLFJZDVPM-YUTCNCBUSA-N 2 2 297.399 -0.458 20 0 CBADLP C[C@H](NC(=O)C1C[NH+]([C@@H]2CCOC2)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000897078238 584708512 /nfs/dbraw/zinc/70/85/12/584708512.db2.gz SPIFSJLFJZDVPM-YUTCNCBUSA-N 2 2 297.399 -0.458 20 0 CBADLP COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000897444904 584716384 /nfs/dbraw/zinc/71/63/84/584716384.db2.gz VWQCSHSJLWJVRP-MNOVXSKESA-N 2 2 280.328 -0.365 20 0 CBADLP COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC000897444904 584716386 /nfs/dbraw/zinc/71/63/86/584716386.db2.gz VWQCSHSJLWJVRP-MNOVXSKESA-N 2 2 280.328 -0.365 20 0 CBADLP COCC[N@@H+]1CC[C@@H]([NH2+]CCCn2ccc(=O)[nH]c2=O)C1 ZINC000898333064 584735630 /nfs/dbraw/zinc/73/56/30/584735630.db2.gz RDJGOZVEWLDMAV-GFCCVEGCSA-N 2 2 296.371 -0.351 20 0 CBADLP COCC[N@H+]1CC[C@@H]([NH2+]CCCn2ccc(=O)[nH]c2=O)C1 ZINC000898333064 584735632 /nfs/dbraw/zinc/73/56/32/584735632.db2.gz RDJGOZVEWLDMAV-GFCCVEGCSA-N 2 2 296.371 -0.351 20 0 CBADLP O=C(N[C@@H]1CCC[N@@H+](CCF)C1)[C@@H]1C[NH+]2CCN1CCC2 ZINC000898495881 584736668 /nfs/dbraw/zinc/73/66/68/584736668.db2.gz OOLFOMJKWNXREV-KGLIPLIRSA-N 2 2 298.406 -0.074 20 0 CBADLP O=C(N[C@@H]1CCC[N@H+](CCF)C1)[C@@H]1C[NH+]2CCN1CCC2 ZINC000898495881 584736670 /nfs/dbraw/zinc/73/66/70/584736670.db2.gz OOLFOMJKWNXREV-KGLIPLIRSA-N 2 2 298.406 -0.074 20 0 CBADLP O=C(N[C@@H]1CCC[NH+](CCF)C1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000898495881 584736672 /nfs/dbraw/zinc/73/66/72/584736672.db2.gz OOLFOMJKWNXREV-KGLIPLIRSA-N 2 2 298.406 -0.074 20 0 CBADLP O=C(N[C@@H]1CCC[NH+](CCF)C1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000898495881 584736674 /nfs/dbraw/zinc/73/66/74/584736674.db2.gz OOLFOMJKWNXREV-KGLIPLIRSA-N 2 2 298.406 -0.074 20 0 CBADLP O=C(N[C@H]1CCC[N@@H+](CCF)C1)[C@@H]1C[NH+]2CCN1CCC2 ZINC000898495832 584736707 /nfs/dbraw/zinc/73/67/07/584736707.db2.gz OOLFOMJKWNXREV-KBPBESRZSA-N 2 2 298.406 -0.074 20 0 CBADLP O=C(N[C@H]1CCC[N@H+](CCF)C1)[C@@H]1C[NH+]2CCN1CCC2 ZINC000898495832 584736708 /nfs/dbraw/zinc/73/67/08/584736708.db2.gz OOLFOMJKWNXREV-KBPBESRZSA-N 2 2 298.406 -0.074 20 0 CBADLP O=C(N[C@H]1CCC[NH+](CCF)C1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000898495832 584736709 /nfs/dbraw/zinc/73/67/09/584736709.db2.gz OOLFOMJKWNXREV-KBPBESRZSA-N 2 2 298.406 -0.074 20 0 CBADLP O=C(N[C@H]1CCC[NH+](CCF)C1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000898495832 584736710 /nfs/dbraw/zinc/73/67/10/584736710.db2.gz OOLFOMJKWNXREV-KBPBESRZSA-N 2 2 298.406 -0.074 20 0 CBADLP C[C@H](O)C[NH+]1CCN(C(=O)NCc2cn(C)c[nH+]2)CC1 ZINC000898620548 584739714 /nfs/dbraw/zinc/73/97/14/584739714.db2.gz IAZPDSLRLMPBBV-NSHDSACASA-N 2 2 281.360 -0.372 20 0 CBADLP C[C@H]1C[N@H+](CCO)CCN1C(=O)NCc1cn(C)c[nH+]1 ZINC000898620104 584739780 /nfs/dbraw/zinc/73/97/80/584739780.db2.gz SHJRGFMLVDUUKB-NSHDSACASA-N 2 2 281.360 -0.372 20 0 CBADLP C[C@H]1C[N@@H+](CCO)CCN1C(=O)NCc1cn(C)c[nH+]1 ZINC000898620104 584739781 /nfs/dbraw/zinc/73/97/81/584739781.db2.gz SHJRGFMLVDUUKB-NSHDSACASA-N 2 2 281.360 -0.372 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1CC[C@H](C(N)=O)C1 ZINC000898670288 584739890 /nfs/dbraw/zinc/73/98/90/584739890.db2.gz WAJCTGIHVCWZEE-QWHCGFSZSA-N 2 2 298.431 -0.112 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1CC[C@H](C(N)=O)C1 ZINC000898670288 584739892 /nfs/dbraw/zinc/73/98/92/584739892.db2.gz WAJCTGIHVCWZEE-QWHCGFSZSA-N 2 2 298.431 -0.112 20 0 CBADLP CC[NH+](CC)CC(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC000898883517 584744233 /nfs/dbraw/zinc/74/42/33/584744233.db2.gz KHIGFEMTXABEPI-JTQLQIEISA-N 2 2 254.334 -0.089 20 0 CBADLP Cn1c[nH+]cc1[C@H](CO)NC(=O)[C@H]1CCC[N@@H+]1C ZINC000898885355 584744342 /nfs/dbraw/zinc/74/43/42/584744342.db2.gz XEHKULGMKUKEJK-VHSXEESVSA-N 2 2 252.318 -0.336 20 0 CBADLP Cn1c[nH+]cc1[C@H](CO)NC(=O)[C@H]1CCC[N@H+]1C ZINC000898885355 584744343 /nfs/dbraw/zinc/74/43/43/584744343.db2.gz XEHKULGMKUKEJK-VHSXEESVSA-N 2 2 252.318 -0.336 20 0 CBADLP CC[C@@H](C(=O)N[C@H](CO)c1c[nH+]cn1C)[NH+](C)C ZINC000898886534 584744345 /nfs/dbraw/zinc/74/43/45/584744345.db2.gz FKHCPBQXGSOYBA-ZJUUUORDSA-N 2 2 254.334 -0.090 20 0 CBADLP Cn1c[nH+]cc1[C@H](CO)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000898885353 584744356 /nfs/dbraw/zinc/74/43/56/584744356.db2.gz XEHKULGMKUKEJK-UWVGGRQHSA-N 2 2 252.318 -0.336 20 0 CBADLP Cn1c[nH+]cc1[C@H](CO)NC(=O)[C@@H]1CCC[N@H+]1C ZINC000898885353 584744357 /nfs/dbraw/zinc/74/43/57/584744357.db2.gz XEHKULGMKUKEJK-UWVGGRQHSA-N 2 2 252.318 -0.336 20 0 CBADLP COC[C@H]1C[NH2+]CCN1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000899248366 584754750 /nfs/dbraw/zinc/75/47/50/584754750.db2.gz OCYPKFZNXWYLJE-VXGBXAGGSA-N 2 2 281.360 -0.099 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@]1(C)CCNC(=O)C1 ZINC000899267732 584755981 /nfs/dbraw/zinc/75/59/81/584755981.db2.gz VICIPLCWLWGMLM-HNNXBMFYSA-N 2 2 298.431 -0.098 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@]1(C)CCNC(=O)C1 ZINC000899267732 584755982 /nfs/dbraw/zinc/75/59/82/584755982.db2.gz VICIPLCWLWGMLM-HNNXBMFYSA-N 2 2 298.431 -0.098 20 0 CBADLP C[N@H+](CCO)CCNC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000899731616 584776499 /nfs/dbraw/zinc/77/64/99/584776499.db2.gz CJIABCWHPXGPTM-UHFFFAOYSA-N 2 2 289.339 -0.079 20 0 CBADLP C[N@@H+](CCO)CCNC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000899731616 584776500 /nfs/dbraw/zinc/77/65/00/584776500.db2.gz CJIABCWHPXGPTM-UHFFFAOYSA-N 2 2 289.339 -0.079 20 0 CBADLP C[N@H+](CCO)CCNC(=O)c1ccc2[nH+]ccn2c1 ZINC000899732837 584776903 /nfs/dbraw/zinc/77/69/03/584776903.db2.gz ONBJCABMLPXDKF-UHFFFAOYSA-N 2 2 262.313 -0.012 20 0 CBADLP C[N@@H+](CCO)CCNC(=O)c1ccc2[nH+]ccn2c1 ZINC000899732837 584776905 /nfs/dbraw/zinc/77/69/05/584776905.db2.gz ONBJCABMLPXDKF-UHFFFAOYSA-N 2 2 262.313 -0.012 20 0 CBADLP C[N@@H+]1CCC[C@@](O)(CC(=O)NCC[NH+]2CCOCC2)C1 ZINC000899928064 584785198 /nfs/dbraw/zinc/78/51/98/584785198.db2.gz BFUMRTWCKPMMLJ-CQSZACIVSA-N 2 2 285.388 -0.718 20 0 CBADLP C[N@H+]1CCC[C@@](O)(CC(=O)NCC[NH+]2CCOCC2)C1 ZINC000899928064 584785200 /nfs/dbraw/zinc/78/52/00/584785200.db2.gz BFUMRTWCKPMMLJ-CQSZACIVSA-N 2 2 285.388 -0.718 20 0 CBADLP CC(C)[NH+]1CCN(C(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)CC1 ZINC000900134351 584791957 /nfs/dbraw/zinc/79/19/57/584791957.db2.gz FUIZAQACGJMRDK-OCCSQVGLSA-N 2 2 269.389 -0.006 20 0 CBADLP CC(C)[NH+]1CCN(C(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)CC1 ZINC000900134351 584791959 /nfs/dbraw/zinc/79/19/59/584791959.db2.gz FUIZAQACGJMRDK-OCCSQVGLSA-N 2 2 269.389 -0.006 20 0 CBADLP COCC[N@H+](C)CCNC(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000900516357 584809351 /nfs/dbraw/zinc/80/93/51/584809351.db2.gz BJSPFGGEFLBSBT-WYMLVPIESA-N 2 2 299.415 -0.041 20 0 CBADLP COCC[N@@H+](C)CCNC(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000900516357 584809353 /nfs/dbraw/zinc/80/93/53/584809353.db2.gz BJSPFGGEFLBSBT-WYMLVPIESA-N 2 2 299.415 -0.041 20 0 CBADLP CCOCC[NH+]1CCN(C(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)CC1 ZINC000900653114 584819109 /nfs/dbraw/zinc/81/91/09/584819109.db2.gz WOXYNFDRYHEUTM-ZFWWWQNUSA-N 2 2 299.415 -0.378 20 0 CBADLP CCOCC[NH+]1CCN(C(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)CC1 ZINC000900653114 584819111 /nfs/dbraw/zinc/81/91/11/584819111.db2.gz WOXYNFDRYHEUTM-ZFWWWQNUSA-N 2 2 299.415 -0.378 20 0 CBADLP CCOCC[NH+]1CCN(C(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)CC1 ZINC000900653111 584819187 /nfs/dbraw/zinc/81/91/87/584819187.db2.gz WOXYNFDRYHEUTM-DZGCQCFKSA-N 2 2 299.415 -0.378 20 0 CBADLP CCOCC[NH+]1CCN(C(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)CC1 ZINC000900653111 584819189 /nfs/dbraw/zinc/81/91/89/584819189.db2.gz WOXYNFDRYHEUTM-DZGCQCFKSA-N 2 2 299.415 -0.378 20 0 CBADLP C[N@@H+]1CCC[C@](O)(CC(=O)NCc2[nH]cc[nH+]2)C1 ZINC000900664166 584820093 /nfs/dbraw/zinc/82/00/93/584820093.db2.gz AXEFWQRFRLTYKI-LBPRGKRZSA-N 2 2 252.318 -0.127 20 0 CBADLP C[N@H+]1CCC[C@](O)(CC(=O)NCc2[nH]cc[nH+]2)C1 ZINC000900664166 584820095 /nfs/dbraw/zinc/82/00/95/584820095.db2.gz AXEFWQRFRLTYKI-LBPRGKRZSA-N 2 2 252.318 -0.127 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H](O)C(C)(C)O)C2)CC1 ZINC000900672165 584820245 /nfs/dbraw/zinc/82/02/45/584820245.db2.gz AGQOMOAAXCKVEL-WCQYABFASA-N 2 2 299.415 -0.597 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H](O)C(C)(C)O)C2)CC1 ZINC000900672165 584820246 /nfs/dbraw/zinc/82/02/46/584820246.db2.gz AGQOMOAAXCKVEL-WCQYABFASA-N 2 2 299.415 -0.597 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)CC1 ZINC000900684364 584821391 /nfs/dbraw/zinc/82/13/91/584821391.db2.gz NYXXJPMIEMXDFT-TZMCWYRMSA-N 2 2 285.388 -0.768 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)CC1 ZINC000900684364 584821392 /nfs/dbraw/zinc/82/13/92/584821392.db2.gz NYXXJPMIEMXDFT-TZMCWYRMSA-N 2 2 285.388 -0.768 20 0 CBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@@H]1C(N)=O ZINC000900693506 584822418 /nfs/dbraw/zinc/82/24/18/584822418.db2.gz VJCJRMBZKGHTBV-QWHCGFSZSA-N 2 2 296.415 -0.408 20 0 CBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@@H]1C(N)=O ZINC000900693506 584822420 /nfs/dbraw/zinc/82/24/20/584822420.db2.gz VJCJRMBZKGHTBV-QWHCGFSZSA-N 2 2 296.415 -0.408 20 0 CBADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@H]2COC(=O)N2)CC1 ZINC000900954780 584834999 /nfs/dbraw/zinc/83/49/99/584834999.db2.gz LIPMFKXQTDIASP-LLVKDONJSA-N 2 2 284.360 -0.763 20 0 CBADLP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000901035999 584842318 /nfs/dbraw/zinc/84/23/18/584842318.db2.gz PEZWCZAISPQRBN-UMVBOHGHSA-N 2 2 297.399 -0.625 20 0 CBADLP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000901035999 584842320 /nfs/dbraw/zinc/84/23/20/584842320.db2.gz PEZWCZAISPQRBN-UMVBOHGHSA-N 2 2 297.399 -0.625 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000901135206 584851239 /nfs/dbraw/zinc/85/12/39/584851239.db2.gz PWSPLPOCWPRZDT-GFCCVEGCSA-N 2 2 266.345 -0.085 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000901135206 584851241 /nfs/dbraw/zinc/85/12/41/584851241.db2.gz PWSPLPOCWPRZDT-GFCCVEGCSA-N 2 2 266.345 -0.085 20 0 CBADLP C[C@H](NC(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C)[C@H]1C[NH+](C)CCO1 ZINC000901140327 584851655 /nfs/dbraw/zinc/85/16/55/584851655.db2.gz WQVIKIZJXJBWKH-SFTQSGBHSA-N 2 2 285.388 -0.723 20 0 CBADLP C[C@H](NC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C)[C@H]1C[NH+](C)CCO1 ZINC000901140327 584851657 /nfs/dbraw/zinc/85/16/57/584851657.db2.gz WQVIKIZJXJBWKH-SFTQSGBHSA-N 2 2 285.388 -0.723 20 0 CBADLP C[C@H](NC(=O)[C@]1(C)C[C@@H](O)C[NH+]1C)[C@H]1C[N@H+](C)CCO1 ZINC000901140327 584851659 /nfs/dbraw/zinc/85/16/59/584851659.db2.gz WQVIKIZJXJBWKH-SFTQSGBHSA-N 2 2 285.388 -0.723 20 0 CBADLP C[C@H](NC(=O)[C@]1(C)C[C@@H](O)C[NH+]1C)[C@H]1C[N@@H+](C)CCO1 ZINC000901140327 584851661 /nfs/dbraw/zinc/85/16/61/584851661.db2.gz WQVIKIZJXJBWKH-SFTQSGBHSA-N 2 2 285.388 -0.723 20 0 CBADLP C/C(=C\C(=O)NC[C@](C)(O)C[NH+](C)C)C[NH+]1CCOCC1 ZINC000901186293 584854257 /nfs/dbraw/zinc/85/42/57/584854257.db2.gz KPIGWXPOYUOPGF-GLNPCMGASA-N 2 2 299.415 -0.306 20 0 CBADLP C/C(=C/C(=O)NCCOCC[NH+](C)C)C[NH+]1CCOCC1 ZINC000901341139 584861892 /nfs/dbraw/zinc/86/18/92/584861892.db2.gz LINXAMOKNGXOAW-OWBHPGMISA-N 2 2 299.415 -0.041 20 0 CBADLP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCS(=O)(=O)N1CCCC1 ZINC000902456099 584877060 /nfs/dbraw/zinc/87/70/60/584877060.db2.gz ZZFYKHBJLPGJQH-GHMZBOCLSA-N 2 2 261.391 -0.119 20 0 CBADLP Cn1nnnc1CCC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000902462650 584877280 /nfs/dbraw/zinc/87/72/80/584877280.db2.gz WWYBCSZOURREJD-DGCLKSJQSA-N 2 2 280.376 -0.501 20 0 CBADLP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](C[C@H]2CCC[NH2+]2)C1 ZINC000903423187 584890265 /nfs/dbraw/zinc/89/02/65/584890265.db2.gz PUKWPNVHGQWTFA-NWDGAFQWSA-N 3 2 254.378 -0.475 20 0 CBADLP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]2)C1 ZINC000903423187 584890266 /nfs/dbraw/zinc/89/02/66/584890266.db2.gz PUKWPNVHGQWTFA-NWDGAFQWSA-N 3 2 254.378 -0.475 20 0 CBADLP CON1CC[C@@H]([N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1=O ZINC000903449598 584890493 /nfs/dbraw/zinc/89/04/93/584890493.db2.gz VLLNZHPMGGRCGE-NWDGAFQWSA-N 2 2 296.371 -0.955 20 0 CBADLP CON1CC[C@@H]([N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1=O ZINC000903449598 584890494 /nfs/dbraw/zinc/89/04/94/584890494.db2.gz VLLNZHPMGGRCGE-NWDGAFQWSA-N 2 2 296.371 -0.955 20 0 CBADLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000903449885 584890500 /nfs/dbraw/zinc/89/05/00/584890500.db2.gz WJJDHRXAFYWOIY-RDBSUJKOSA-N 3 2 280.416 -0.262 20 0 CBADLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000903449885 584890501 /nfs/dbraw/zinc/89/05/01/584890501.db2.gz WJJDHRXAFYWOIY-RDBSUJKOSA-N 3 2 280.416 -0.262 20 0 CBADLP CCS(=O)(=O)NCC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903470910 584890938 /nfs/dbraw/zinc/89/09/38/584890938.db2.gz PKZSHMWDVGVDEY-SNVBAGLBSA-N 2 2 261.391 -0.200 20 0 CBADLP O=C(C[NH2+][C@@H]1CC[NH2+]C12CCC2)NC(=O)NC1CC1 ZINC000903466118 584890956 /nfs/dbraw/zinc/89/09/56/584890956.db2.gz PVHPRECQDGNQQL-SNVBAGLBSA-N 2 2 266.345 -0.151 20 0 CBADLP CCNC(=O)NC(=O)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903465730 584891005 /nfs/dbraw/zinc/89/10/05/584891005.db2.gz LROOBOXVYSBQLN-SECBINFHSA-N 2 2 254.334 -0.294 20 0 CBADLP COC(=O)CCNC(=O)C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000903483081 584891295 /nfs/dbraw/zinc/89/12/95/584891295.db2.gz CZLPAZCVZWDHJY-NSHDSACASA-N 2 2 283.372 -0.070 20 0 CBADLP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](C[C@@H]1C[NH2+]CCO1)C2 ZINC000903495107 584891906 /nfs/dbraw/zinc/89/19/06/584891906.db2.gz VOMCOCBNICOQOM-OPDFLTKYSA-N 3 2 283.372 -0.813 20 0 CBADLP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](C[C@@H]1C[NH2+]CCO1)C2 ZINC000903495107 584891908 /nfs/dbraw/zinc/89/19/08/584891908.db2.gz VOMCOCBNICOQOM-OPDFLTKYSA-N 3 2 283.372 -0.813 20 0 CBADLP CC1(C)C[N@H+](CCC(=O)N2CC[NH2+]CC2)C[C@@H]1[NH3+] ZINC000903558149 584893178 /nfs/dbraw/zinc/89/31/78/584893178.db2.gz IQGANPNLMMQWMC-NSHDSACASA-N 3 2 254.378 -0.523 20 0 CBADLP CC1(C)C[N@@H+](CCC(=O)N2CC[NH2+]CC2)C[C@@H]1[NH3+] ZINC000903558149 584893179 /nfs/dbraw/zinc/89/31/79/584893179.db2.gz IQGANPNLMMQWMC-NSHDSACASA-N 3 2 254.378 -0.523 20 0 CBADLP CO[C@H](C)CS(=O)(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000903565205 584893432 /nfs/dbraw/zinc/89/34/32/584893432.db2.gz GFBJYNBEQBWQEK-SNVBAGLBSA-N 2 2 279.406 -0.636 20 0 CBADLP C[NH2+]CC[N@H+](CCC(=O)N(C)CC(=O)OC)C(C)C ZINC000903573647 584893620 /nfs/dbraw/zinc/89/36/20/584893620.db2.gz HMVSPNCDJSASMA-UHFFFAOYSA-N 2 2 273.377 -0.062 20 0 CBADLP C[NH2+]CC[N@@H+](CCC(=O)N(C)CC(=O)OC)C(C)C ZINC000903573647 584893621 /nfs/dbraw/zinc/89/36/21/584893621.db2.gz HMVSPNCDJSASMA-UHFFFAOYSA-N 2 2 273.377 -0.062 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C)[C@H](CC[NH3+])C2)CC1 ZINC000903709817 584895255 /nfs/dbraw/zinc/89/52/55/584895255.db2.gz BSYUOESODCQDFM-CHWSQXEVSA-N 2 2 296.415 -0.406 20 0 CBADLP C[C@H]([NH3+])[C@@H]1C[N@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CCO1 ZINC000903717128 584895538 /nfs/dbraw/zinc/89/55/38/584895538.db2.gz HEILCSHVASTHON-XUXIUFHCSA-N 3 2 269.389 -0.197 20 0 CBADLP C[C@H]([NH3+])[C@@H]1C[N@@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CCO1 ZINC000903717128 584895539 /nfs/dbraw/zinc/89/55/39/584895539.db2.gz HEILCSHVASTHON-XUXIUFHCSA-N 3 2 269.389 -0.197 20 0 CBADLP C[N@H+](CCS(C)(=O)=O)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903725370 584896013 /nfs/dbraw/zinc/89/60/13/584896013.db2.gz ZAEMDGMIAHEEGT-VXGBXAGGSA-N 2 2 276.402 -0.269 20 0 CBADLP C[N@@H+](CCS(C)(=O)=O)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903725370 584896015 /nfs/dbraw/zinc/89/60/15/584896015.db2.gz ZAEMDGMIAHEEGT-VXGBXAGGSA-N 2 2 276.402 -0.269 20 0 CBADLP CC1(C)C(=O)NCC[N@H+]1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903729060 584896197 /nfs/dbraw/zinc/89/61/97/584896197.db2.gz JJVIOGUQIITBLN-FZMZJTMJSA-N 2 2 267.373 -0.035 20 0 CBADLP CC1(C)C(=O)NCC[N@@H+]1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903729060 584896198 /nfs/dbraw/zinc/89/61/98/584896198.db2.gz JJVIOGUQIITBLN-FZMZJTMJSA-N 2 2 267.373 -0.035 20 0 CBADLP COCC[N@@H+](CC(=O)OC)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903751598 584897360 /nfs/dbraw/zinc/89/73/60/584897360.db2.gz HASWUOZHMGVCOC-JSGCOSHPSA-N 2 2 286.372 -0.124 20 0 CBADLP COCC[N@H+](CC(=O)OC)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903751598 584897361 /nfs/dbraw/zinc/89/73/61/584897361.db2.gz HASWUOZHMGVCOC-JSGCOSHPSA-N 2 2 286.372 -0.124 20 0 CBADLP C[N@H+](CCS(=O)(=O)Nc1ccccc1)C[C@H](O)C[NH3+] ZINC000903750967 584897409 /nfs/dbraw/zinc/89/74/09/584897409.db2.gz AFADXPXARPSUOB-GFCCVEGCSA-N 2 2 287.385 -0.320 20 0 CBADLP C[N@@H+](CCS(=O)(=O)Nc1ccccc1)C[C@H](O)C[NH3+] ZINC000903750967 584897410 /nfs/dbraw/zinc/89/74/10/584897410.db2.gz AFADXPXARPSUOB-GFCCVEGCSA-N 2 2 287.385 -0.320 20 0 CBADLP COCCN1CC[N@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1=O ZINC000903757330 584897643 /nfs/dbraw/zinc/89/76/43/584897643.db2.gz CHIXVZVOJNFKTA-DZGCQCFKSA-N 2 2 297.399 -0.454 20 0 CBADLP COCCN1CC[N@@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1=O ZINC000903757330 584897644 /nfs/dbraw/zinc/89/76/44/584897644.db2.gz CHIXVZVOJNFKTA-DZGCQCFKSA-N 2 2 297.399 -0.454 20 0 CBADLP [NH3+][C@]12CCC[C@@H]1C[N@H+](CCN1CCCS1(=O)=O)C2 ZINC000903769503 584898397 /nfs/dbraw/zinc/89/83/97/584898397.db2.gz HYKPLJFRXKVNIW-NEPJUHHUSA-N 2 2 273.402 -0.165 20 0 CBADLP [NH3+][C@]12CCC[C@@H]1C[N@@H+](CCN1CCCS1(=O)=O)C2 ZINC000903769503 584898399 /nfs/dbraw/zinc/89/83/99/584898399.db2.gz HYKPLJFRXKVNIW-NEPJUHHUSA-N 2 2 273.402 -0.165 20 0 CBADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C)CC2)C[C@H]1CC[NH3+] ZINC000903779293 584899354 /nfs/dbraw/zinc/89/93/54/584899354.db2.gz YCLCDMKHAVVWAA-VXGBXAGGSA-N 2 2 282.388 -0.796 20 0 CBADLP C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000903785545 584899720 /nfs/dbraw/zinc/89/97/20/584899720.db2.gz YWGVDFCPBPZOMB-LBPRGKRZSA-N 2 2 293.371 -0.031 20 0 CBADLP C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000903785545 584899721 /nfs/dbraw/zinc/89/97/21/584899721.db2.gz YWGVDFCPBPZOMB-LBPRGKRZSA-N 2 2 293.371 -0.031 20 0 CBADLP [NH3+][C@]1(CO)CCC[N@H+](C[C@@H]2C[C@@H]3COC[C@@H]3O2)C1 ZINC000903788422 584899738 /nfs/dbraw/zinc/89/97/38/584899738.db2.gz KNGQOVRJHKZWPR-MROQNXINSA-N 2 2 256.346 -0.424 20 0 CBADLP [NH3+][C@]1(CO)CCC[N@@H+](C[C@@H]2C[C@@H]3COC[C@@H]3O2)C1 ZINC000903788422 584899739 /nfs/dbraw/zinc/89/97/39/584899739.db2.gz KNGQOVRJHKZWPR-MROQNXINSA-N 2 2 256.346 -0.424 20 0 CBADLP COCCOCCOCC[N@@H+]1CCC[C@@]([NH3+])(CO)C1 ZINC000903788599 584899779 /nfs/dbraw/zinc/89/97/79/584899779.db2.gz OIIBKBIORWUJOL-ZDUSSCGKSA-N 2 2 276.377 -0.548 20 0 CBADLP COCCOCCOCC[N@H+]1CCC[C@@]([NH3+])(CO)C1 ZINC000903788599 584899780 /nfs/dbraw/zinc/89/97/80/584899780.db2.gz OIIBKBIORWUJOL-ZDUSSCGKSA-N 2 2 276.377 -0.548 20 0 CBADLP [NH3+]C[C@]12CC[C@@H]1CCC[N@@H+]2CCN1C(=O)CNC1=O ZINC000903796537 584900151 /nfs/dbraw/zinc/90/01/51/584900151.db2.gz AGJYVNNUUWTWNN-GXFFZTMASA-N 2 2 266.345 -0.259 20 0 CBADLP [NH3+]C[C@]12CC[C@@H]1CCC[N@H+]2CCN1C(=O)CNC1=O ZINC000903796537 584900153 /nfs/dbraw/zinc/90/01/53/584900153.db2.gz AGJYVNNUUWTWNN-GXFFZTMASA-N 2 2 266.345 -0.259 20 0 CBADLP Nc1nc(N2CCN(CC[NH3+])CC2)nc(C2CC2)[nH+]1 ZINC000903824628 584900766 /nfs/dbraw/zinc/90/07/66/584900766.db2.gz SCSYRGKBRWQFIR-UHFFFAOYSA-N 2 2 263.349 -0.588 20 0 CBADLP NC(=O)[C@]12CCC[C@H]1C[N@H+](C[C@@H]1C[NH2+]CCO1)C2 ZINC000903826319 584900988 /nfs/dbraw/zinc/90/09/88/584900988.db2.gz ICIPRRUFPFPUHI-GVXVVHGQSA-N 2 2 253.346 -0.438 20 0 CBADLP NC(=O)[C@]12CCC[C@H]1C[N@@H+](C[C@@H]1C[NH2+]CCO1)C2 ZINC000903826319 584900990 /nfs/dbraw/zinc/90/09/90/584900990.db2.gz ICIPRRUFPFPUHI-GVXVVHGQSA-N 2 2 253.346 -0.438 20 0 CBADLP CS(=O)(=O)C[C@H]1C[N@H+](CC[C@H]2CC[NH2+]C2)CCO1 ZINC000903824966 584901000 /nfs/dbraw/zinc/90/10/00/584901000.db2.gz WJGNBSWDXVGZLA-VXGBXAGGSA-N 2 2 276.402 -0.269 20 0 CBADLP CS(=O)(=O)C[C@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)CCO1 ZINC000903824966 584901001 /nfs/dbraw/zinc/90/10/01/584901001.db2.gz WJGNBSWDXVGZLA-VXGBXAGGSA-N 2 2 276.402 -0.269 20 0 CBADLP O=C1CC[N@H+](C[C@@H]2C[NH2+]CCO2)CCCCCN1 ZINC000903829090 584901319 /nfs/dbraw/zinc/90/13/19/584901319.db2.gz AACDLCXEPJSOGW-LBPRGKRZSA-N 2 2 255.362 -0.033 20 0 CBADLP O=C1CC[N@@H+](C[C@@H]2C[NH2+]CCO2)CCCCCN1 ZINC000903829090 584901321 /nfs/dbraw/zinc/90/13/21/584901321.db2.gz AACDLCXEPJSOGW-LBPRGKRZSA-N 2 2 255.362 -0.033 20 0 CBADLP COCC[C@@H]1C[NH2+]CCN1CC[NH+]1CCOCC1 ZINC000903836973 584901649 /nfs/dbraw/zinc/90/16/49/584901649.db2.gz YPOLWLXORPOVHR-CYBMUJFWSA-N 2 2 257.378 -0.371 20 0 CBADLP CC(=O)N1CCN(C(=O)C[N@@H+]2CC[C@H]3CC[C@@]32C[NH3+])CC1 ZINC000903852456 584902049 /nfs/dbraw/zinc/90/20/49/584902049.db2.gz BBXVJIZXUFWWIC-UKRRQHHQSA-N 2 2 294.399 -0.510 20 0 CBADLP CC(=O)N1CCN(C(=O)C[N@H+]2CC[C@H]3CC[C@@]32C[NH3+])CC1 ZINC000903852456 584902050 /nfs/dbraw/zinc/90/20/50/584902050.db2.gz BBXVJIZXUFWWIC-UKRRQHHQSA-N 2 2 294.399 -0.510 20 0 CBADLP [NH3+]C[C@]12CC[C@H]1CC[N@@H+]2CCN1C(=O)CCC1=O ZINC000903852331 584902063 /nfs/dbraw/zinc/90/20/63/584902063.db2.gz ABDVFQXHDQEWEF-GXFFZTMASA-N 2 2 251.330 -0.051 20 0 CBADLP [NH3+]C[C@]12CC[C@H]1CC[N@H+]2CCN1C(=O)CCC1=O ZINC000903852331 584902064 /nfs/dbraw/zinc/90/20/64/584902064.db2.gz ABDVFQXHDQEWEF-GXFFZTMASA-N 2 2 251.330 -0.051 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@@H]3CC[C@@]32C[NH3+])CC1 ZINC000903856587 584902357 /nfs/dbraw/zinc/90/23/57/584902357.db2.gz AFLWDPSBWHSTRQ-DZGCQCFKSA-N 3 2 280.416 -0.036 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@@H]3CC[C@@]32C[NH3+])CC1 ZINC000903856587 584902359 /nfs/dbraw/zinc/90/23/59/584902359.db2.gz AFLWDPSBWHSTRQ-DZGCQCFKSA-N 3 2 280.416 -0.036 20 0 CBADLP CC(C)[N@H+](CC(N)=O)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903877354 584903528 /nfs/dbraw/zinc/90/35/28/584903528.db2.gz MZAFSEBWRAOPTQ-NSHDSACASA-N 2 2 280.376 -0.102 20 0 CBADLP CC(C)[N@@H+](CC(N)=O)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903877354 584903530 /nfs/dbraw/zinc/90/35/30/584903530.db2.gz MZAFSEBWRAOPTQ-NSHDSACASA-N 2 2 280.376 -0.102 20 0 CBADLP NS(=O)(=O)C[C@@H]1CCC[N@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000903892616 584904051 /nfs/dbraw/zinc/90/40/51/584904051.db2.gz KMPGYULNRUKDTC-BDAKNGLRSA-N 2 2 285.360 -0.031 20 0 CBADLP NS(=O)(=O)C[C@@H]1CCC[N@@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000903892616 584904052 /nfs/dbraw/zinc/90/40/52/584904052.db2.gz KMPGYULNRUKDTC-BDAKNGLRSA-N 2 2 285.360 -0.031 20 0 CBADLP NS(=O)(=O)C[C@H]1CCC[N@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000903892619 584904075 /nfs/dbraw/zinc/90/40/75/584904075.db2.gz KMPGYULNRUKDTC-IUCAKERBSA-N 2 2 285.360 -0.031 20 0 CBADLP NS(=O)(=O)C[C@H]1CCC[N@@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000903892619 584904076 /nfs/dbraw/zinc/90/40/76/584904076.db2.gz KMPGYULNRUKDTC-IUCAKERBSA-N 2 2 285.360 -0.031 20 0 CBADLP C[N@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)CC(C)(CO)CO ZINC000903894924 584904140 /nfs/dbraw/zinc/90/41/40/584904140.db2.gz IFPXPWVHQXVYOO-GFCCVEGCSA-N 2 2 297.403 -0.375 20 0 CBADLP C[N@@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)CC(C)(CO)CO ZINC000903894924 584904142 /nfs/dbraw/zinc/90/41/42/584904142.db2.gz IFPXPWVHQXVYOO-GFCCVEGCSA-N 2 2 297.403 -0.375 20 0 CBADLP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2C[C@@H]3COC[C@H](C2)O3)cnn1C ZINC000903915874 584904513 /nfs/dbraw/zinc/90/45/13/584904513.db2.gz CUZPGAUWZUNUDV-AEGPPILISA-N 2 2 294.399 -0.054 20 0 CBADLP Cc1c(C[C@@H](C[NH3+])C[N@H+]2C[C@@H]3COC[C@H](C2)O3)cnn1C ZINC000903915874 584904514 /nfs/dbraw/zinc/90/45/14/584904514.db2.gz CUZPGAUWZUNUDV-AEGPPILISA-N 2 2 294.399 -0.054 20 0 CBADLP Cc1c(C[C@H](C[NH3+])C[N@H+]2C[C@H](C)O[C@H](CO)C2)cnn1C ZINC000903912531 584904593 /nfs/dbraw/zinc/90/45/93/584904593.db2.gz GLEGZWIKTJUNEF-LNSITVRQSA-N 2 2 296.415 -0.072 20 0 CBADLP Cc1c(C[C@H](C[NH3+])C[N@@H+]2C[C@H](C)O[C@H](CO)C2)cnn1C ZINC000903912531 584904594 /nfs/dbraw/zinc/90/45/94/584904594.db2.gz GLEGZWIKTJUNEF-LNSITVRQSA-N 2 2 296.415 -0.072 20 0 CBADLP C[NH2+]CCOCC[N@H+](C)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903935908 584904830 /nfs/dbraw/zinc/90/48/30/584904830.db2.gz VXXMYEVVGLIQFT-CYBMUJFWSA-N 3 2 296.419 -0.130 20 0 CBADLP C[NH2+]CCOCC[N@@H+](C)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903935908 584904831 /nfs/dbraw/zinc/90/48/31/584904831.db2.gz VXXMYEVVGLIQFT-CYBMUJFWSA-N 3 2 296.419 -0.130 20 0 CBADLP CN1C(=O)[C@H]2C[N@H+](C[C@@H]([NH3+])CC(F)F)C[C@H]2C1=O ZINC000903937302 584904975 /nfs/dbraw/zinc/90/49/75/584904975.db2.gz HOFDFJLXUCHVGN-BIIVOSGPSA-N 2 2 261.272 -0.485 20 0 CBADLP CN1C(=O)[C@H]2C[N@@H+](C[C@@H]([NH3+])CC(F)F)C[C@H]2C1=O ZINC000903937302 584904976 /nfs/dbraw/zinc/90/49/76/584904976.db2.gz HOFDFJLXUCHVGN-BIIVOSGPSA-N 2 2 261.272 -0.485 20 0 CBADLP CC[NH+]1CCC([NH2+]CC[C@@H]2CNCCS2(=O)=O)CC1 ZINC000903969788 584905227 /nfs/dbraw/zinc/90/52/27/584905227.db2.gz LDEDGRPJOJBMQN-CYBMUJFWSA-N 2 2 289.445 -0.163 20 0 CBADLP C[C@@H]1C[NH2+]C[C@@H]([NH2+]CC[C@H]2CNCCS2(=O)=O)C1 ZINC000903970553 584905460 /nfs/dbraw/zinc/90/54/60/584905460.db2.gz ZGHQQVIQPXCSEI-SRVKXCTJSA-N 2 2 275.418 -0.649 20 0 CBADLP C[C@@H](NC(=O)C12CCC[NH+]1CCC2)C1C[NH+](CC(N)=O)C1 ZINC000970050005 617185550 /nfs/dbraw/zinc/18/55/50/617185550.db2.gz JMIZGMUNMVNUEY-LLVKDONJSA-N 2 2 294.399 -0.463 20 0 CBADLP CC(C)[C@@H](C(=O)N1CCC[N@@H+]([C@@H](C)C(N)=O)CC1)[NH+](C)C ZINC000981387263 614073171 /nfs/dbraw/zinc/07/31/71/614073171.db2.gz HIOAMEVLLZRKCG-STQMWFEESA-N 2 2 298.431 -0.019 20 0 CBADLP CC(C)[C@@H](C(=O)N1CCC[N@H+]([C@@H](C)C(N)=O)CC1)[NH+](C)C ZINC000981387263 614073173 /nfs/dbraw/zinc/07/31/73/614073173.db2.gz HIOAMEVLLZRKCG-STQMWFEESA-N 2 2 298.431 -0.019 20 0 CBADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](CC(N)=O)C1 ZINC000969659154 614344410 /nfs/dbraw/zinc/34/44/10/614344410.db2.gz DCRPHGQPZHWBBI-WCQYABFASA-N 2 2 296.415 -0.219 20 0 CBADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](CC(N)=O)C1 ZINC000969659154 614344411 /nfs/dbraw/zinc/34/44/11/614344411.db2.gz DCRPHGQPZHWBBI-WCQYABFASA-N 2 2 296.415 -0.219 20 0 CBADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](CCCO)CC2)C1 ZINC000949840429 614363711 /nfs/dbraw/zinc/36/37/11/614363711.db2.gz CSWFXWORIPQLOL-CQSZACIVSA-N 2 2 299.415 -0.378 20 0 CBADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](CCCO)CC2)C1 ZINC000949840429 614363712 /nfs/dbraw/zinc/36/37/12/614363712.db2.gz CSWFXWORIPQLOL-CQSZACIVSA-N 2 2 299.415 -0.378 20 0 CBADLP CCN(C(=O)C12CC[NH+](CC1)C2)C1C[NH+](CCO)C1 ZINC000957280530 614564682 /nfs/dbraw/zinc/56/46/82/614564682.db2.gz INOYGZHFWGNZAP-UHFFFAOYSA-N 2 2 267.373 -0.393 20 0 CBADLP CC1(C)C[N@H+](CC(N)=O)C[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000977471689 614613946 /nfs/dbraw/zinc/61/39/46/614613946.db2.gz FWJZOZHJBLJALF-NSHDSACASA-N 2 2 294.399 -0.606 20 0 CBADLP CC1(C)C[N@@H+](CC(N)=O)C[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000977471689 614613951 /nfs/dbraw/zinc/61/39/51/614613951.db2.gz FWJZOZHJBLJALF-NSHDSACASA-N 2 2 294.399 -0.606 20 0 CBADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH+](C)CC(N)=O)C1 ZINC000971640369 614660354 /nfs/dbraw/zinc/66/03/54/614660354.db2.gz FHJZRKOAWNUVNQ-CHWSQXEVSA-N 2 2 296.415 -0.121 20 0 CBADLP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH+](C)CC(N)=O)C1 ZINC000971640369 614660356 /nfs/dbraw/zinc/66/03/56/614660356.db2.gz FHJZRKOAWNUVNQ-CHWSQXEVSA-N 2 2 296.415 -0.121 20 0 CBADLP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)CC(N)=O)C1 ZINC000971640369 614660357 /nfs/dbraw/zinc/66/03/57/614660357.db2.gz FHJZRKOAWNUVNQ-CHWSQXEVSA-N 2 2 296.415 -0.121 20 0 CBADLP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)CC(N)=O)C1 ZINC000971640369 614660359 /nfs/dbraw/zinc/66/03/59/614660359.db2.gz FHJZRKOAWNUVNQ-CHWSQXEVSA-N 2 2 296.415 -0.121 20 0 CBADLP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CC(N)=O)C1 ZINC000971640370 614677439 /nfs/dbraw/zinc/67/74/39/614677439.db2.gz FHJZRKOAWNUVNQ-OLZOCXBDSA-N 2 2 296.415 -0.121 20 0 CBADLP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CC(N)=O)C1 ZINC000971640370 614677442 /nfs/dbraw/zinc/67/74/42/614677442.db2.gz FHJZRKOAWNUVNQ-OLZOCXBDSA-N 2 2 296.415 -0.121 20 0 CBADLP CCC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CC(N)=O)C1 ZINC000971640370 614677446 /nfs/dbraw/zinc/67/74/46/614677446.db2.gz FHJZRKOAWNUVNQ-OLZOCXBDSA-N 2 2 296.415 -0.121 20 0 CBADLP CCC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CC(N)=O)C1 ZINC000971640370 614677447 /nfs/dbraw/zinc/67/74/47/614677447.db2.gz FHJZRKOAWNUVNQ-OLZOCXBDSA-N 2 2 296.415 -0.121 20 0 CBADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH+](C)CC(N)=O)C1 ZINC000980484060 615110809 /nfs/dbraw/zinc/11/08/09/615110809.db2.gz VXYROIOQUTZHSF-CHWSQXEVSA-N 2 2 296.415 -0.121 20 0 CBADLP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH+](C)CC(N)=O)C1 ZINC000980484060 615110810 /nfs/dbraw/zinc/11/08/10/615110810.db2.gz VXYROIOQUTZHSF-CHWSQXEVSA-N 2 2 296.415 -0.121 20 0 CBADLP CC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)CC(N)=O)C1 ZINC000980484060 615110812 /nfs/dbraw/zinc/11/08/12/615110812.db2.gz VXYROIOQUTZHSF-CHWSQXEVSA-N 2 2 296.415 -0.121 20 0 CBADLP CC[C@@H]([NH2+][C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1)C(N)=O ZINC000968876792 615537689 /nfs/dbraw/zinc/53/76/89/615537689.db2.gz DRRLFLHYWIHZIM-VXGBXAGGSA-N 2 2 293.371 -0.203 20 0 CBADLP CC[C@@H]([NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1)C(N)=O ZINC000968876792 615537691 /nfs/dbraw/zinc/53/76/91/615537691.db2.gz DRRLFLHYWIHZIM-VXGBXAGGSA-N 2 2 293.371 -0.203 20 0 CBADLP CC[C@H]([NH2+][C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1)C(N)=O ZINC000968535133 615822294 /nfs/dbraw/zinc/82/22/94/615822294.db2.gz UITYADMGJBVDEQ-MNOVXSKESA-N 2 2 293.371 -0.203 20 0 CBADLP C[N@H+](CCO)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000972619131 616113114 /nfs/dbraw/zinc/11/31/14/616113114.db2.gz NTTNHQFOSMAWJU-JTQLQIEISA-N 2 2 252.318 -0.523 20 0 CBADLP C[N@@H+](CCO)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000972619131 616113115 /nfs/dbraw/zinc/11/31/15/616113115.db2.gz NTTNHQFOSMAWJU-JTQLQIEISA-N 2 2 252.318 -0.523 20 0 CBADLP C[N@H+]([C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1)[C@H]1CCNC1=O ZINC000972430063 616117934 /nfs/dbraw/zinc/11/79/34/616117934.db2.gz YRSZJKOAMPWQQO-NEPJUHHUSA-N 2 2 291.355 -0.627 20 0 CBADLP C[N@@H+]([C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1)[C@H]1CCNC1=O ZINC000972430063 616117936 /nfs/dbraw/zinc/11/79/36/616117936.db2.gz YRSZJKOAMPWQQO-NEPJUHHUSA-N 2 2 291.355 -0.627 20 0 CBADLP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](CCCO)CC1 ZINC000948888908 616179285 /nfs/dbraw/zinc/17/92/85/616179285.db2.gz PSUWTDOOWZRHHJ-CYBMUJFWSA-N 2 2 269.389 -0.003 20 0 CBADLP C[N@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](CCCO)CC1 ZINC000948888908 616179286 /nfs/dbraw/zinc/17/92/86/616179286.db2.gz PSUWTDOOWZRHHJ-CYBMUJFWSA-N 2 2 269.389 -0.003 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCCC[NH+]1CC(N)=O ZINC000968780234 616193381 /nfs/dbraw/zinc/19/33/81/616193381.db2.gz BETDDQDBLYFUAJ-CHWSQXEVSA-N 2 2 296.415 -0.073 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCCC[NH+]1CC(N)=O ZINC000968780234 616193382 /nfs/dbraw/zinc/19/33/82/616193382.db2.gz BETDDQDBLYFUAJ-CHWSQXEVSA-N 2 2 296.415 -0.073 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1CC(N)=O ZINC000968780234 616193383 /nfs/dbraw/zinc/19/33/83/616193383.db2.gz BETDDQDBLYFUAJ-CHWSQXEVSA-N 2 2 296.415 -0.073 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCCCC[N@H+]1CC(N)=O ZINC000968780234 616193384 /nfs/dbraw/zinc/19/33/84/616193384.db2.gz BETDDQDBLYFUAJ-CHWSQXEVSA-N 2 2 296.415 -0.073 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH+]([C@@H]2CCNC2=O)CC1 ZINC000980833300 616209257 /nfs/dbraw/zinc/20/92/57/616209257.db2.gz DSOBWFGWQNLNAP-OLZOCXBDSA-N 2 2 294.399 -0.497 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)N1CCC[NH+]([C@@H]2CCNC2=O)CC1 ZINC000980833300 616209258 /nfs/dbraw/zinc/20/92/58/616209258.db2.gz DSOBWFGWQNLNAP-OLZOCXBDSA-N 2 2 294.399 -0.497 20 0 CBADLP C[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+]([C@@H]2CCNC2=O)CC1 ZINC000980833300 616209259 /nfs/dbraw/zinc/20/92/59/616209259.db2.gz DSOBWFGWQNLNAP-OLZOCXBDSA-N 2 2 294.399 -0.497 20 0 CBADLP C[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC000980833300 616209260 /nfs/dbraw/zinc/20/92/60/616209260.db2.gz DSOBWFGWQNLNAP-OLZOCXBDSA-N 2 2 294.399 -0.497 20 0 CBADLP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3cnon3)C2)C1 ZINC000970711220 616363206 /nfs/dbraw/zinc/36/32/06/616363206.db2.gz COBYLEFJJSIDPW-WDEREUQCSA-N 2 2 279.344 -0.288 20 0 CBADLP C[N@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3cnon3)C2)C1 ZINC000970711220 616363210 /nfs/dbraw/zinc/36/32/10/616363210.db2.gz COBYLEFJJSIDPW-WDEREUQCSA-N 2 2 279.344 -0.288 20 0 CBADLP COCC[N@@H+]1C[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC000972991266 616454237 /nfs/dbraw/zinc/45/42/37/616454237.db2.gz HJHMZBHKVHVRLW-STQMWFEESA-N 2 2 299.415 -0.210 20 0 CBADLP COCC[N@H+]1C[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC000972991266 616454241 /nfs/dbraw/zinc/45/42/41/616454241.db2.gz HJHMZBHKVHVRLW-STQMWFEESA-N 2 2 299.415 -0.210 20 0 CBADLP COCC[NH+]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C(C)(C)C1 ZINC000972991266 616454243 /nfs/dbraw/zinc/45/42/43/616454243.db2.gz HJHMZBHKVHVRLW-STQMWFEESA-N 2 2 299.415 -0.210 20 0 CBADLP COCC[NH+]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C(C)(C)C1 ZINC000972991266 616454247 /nfs/dbraw/zinc/45/42/47/616454247.db2.gz HJHMZBHKVHVRLW-STQMWFEESA-N 2 2 299.415 -0.210 20 0 CBADLP CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000969382643 616596556 /nfs/dbraw/zinc/59/65/56/616596556.db2.gz VTRQWJXIAYESIQ-ZYHUDNBSSA-N 2 2 282.388 -0.737 20 0 CBADLP CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000969382643 616596557 /nfs/dbraw/zinc/59/65/57/616596557.db2.gz VTRQWJXIAYESIQ-ZYHUDNBSSA-N 2 2 282.388 -0.737 20 0 CBADLP CNC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000970867928 616598768 /nfs/dbraw/zinc/59/87/68/616598768.db2.gz HYLJPQWIOPQKMW-QWRGUYRKSA-N 2 2 282.388 -0.879 20 0 CBADLP CNC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000970867928 616598771 /nfs/dbraw/zinc/59/87/71/616598771.db2.gz HYLJPQWIOPQKMW-QWRGUYRKSA-N 2 2 282.388 -0.879 20 0 CBADLP CNC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000969382641 616598800 /nfs/dbraw/zinc/59/88/00/616598800.db2.gz VTRQWJXIAYESIQ-JQWIXIFHSA-N 2 2 282.388 -0.737 20 0 CBADLP CNC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000969382641 616598801 /nfs/dbraw/zinc/59/88/01/616598801.db2.gz VTRQWJXIAYESIQ-JQWIXIFHSA-N 2 2 282.388 -0.737 20 0 CBADLP CNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC000981332199 616605091 /nfs/dbraw/zinc/60/50/91/616605091.db2.gz SNOVWFFQAYGVIC-CQSZACIVSA-N 2 2 296.415 -0.393 20 0 CBADLP CNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC000981332199 616605095 /nfs/dbraw/zinc/60/50/95/616605095.db2.gz SNOVWFFQAYGVIC-CQSZACIVSA-N 2 2 296.415 -0.393 20 0 CBADLP CNC(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000972858046 616629233 /nfs/dbraw/zinc/62/92/33/616629233.db2.gz SKUCJIZVGRQJJX-NWDGAFQWSA-N 2 2 296.415 -0.347 20 0 CBADLP CNC(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000972858046 616629237 /nfs/dbraw/zinc/62/92/37/616629237.db2.gz SKUCJIZVGRQJJX-NWDGAFQWSA-N 2 2 296.415 -0.347 20 0 CBADLP CNC(=O)C[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC000972858046 616629238 /nfs/dbraw/zinc/62/92/38/616629238.db2.gz SKUCJIZVGRQJJX-NWDGAFQWSA-N 2 2 296.415 -0.347 20 0 CBADLP CNC(=O)C[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC000972858046 616629240 /nfs/dbraw/zinc/62/92/40/616629240.db2.gz SKUCJIZVGRQJJX-NWDGAFQWSA-N 2 2 296.415 -0.347 20 0 CBADLP CNC(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000972858048 616629390 /nfs/dbraw/zinc/62/93/90/616629390.db2.gz SKUCJIZVGRQJJX-VXGBXAGGSA-N 2 2 296.415 -0.347 20 0 CBADLP CNC(=O)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000972858048 616629392 /nfs/dbraw/zinc/62/93/92/616629392.db2.gz SKUCJIZVGRQJJX-VXGBXAGGSA-N 2 2 296.415 -0.347 20 0 CBADLP CNC(=O)C[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC000972858048 616629393 /nfs/dbraw/zinc/62/93/93/616629393.db2.gz SKUCJIZVGRQJJX-VXGBXAGGSA-N 2 2 296.415 -0.347 20 0 CBADLP CNC(=O)C[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC000972858048 616629394 /nfs/dbraw/zinc/62/93/94/616629394.db2.gz SKUCJIZVGRQJJX-VXGBXAGGSA-N 2 2 296.415 -0.347 20 0 CBADLP COC(=O)CN(C)C(=O)CC[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923455186 658285601 /nfs/dbraw/zinc/28/56/01/658285601.db2.gz AFWKTZALAXBWFF-NWDGAFQWSA-N 2 2 283.372 -0.308 20 0 CBADLP COC(=O)CN(C)C(=O)CC[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923455186 658285619 /nfs/dbraw/zinc/28/56/19/658285619.db2.gz AFWKTZALAXBWFF-NWDGAFQWSA-N 2 2 283.372 -0.308 20 0 CBADLP C[C@H]1CCCCN1S(=O)(=O)N1CC[NH2+]CC[NH2+]CC1 ZINC000923690886 658397295 /nfs/dbraw/zinc/39/72/95/658397295.db2.gz SLBRGUZNOJFCEK-LBPRGKRZSA-N 2 2 290.433 -0.400 20 0 CBADLP CC1CCN(S(=O)(=O)N2CC[NH2+]CC[NH2+]CC2)CC1 ZINC000923690621 658398062 /nfs/dbraw/zinc/39/80/62/658398062.db2.gz MVFZSOKFKSLECN-UHFFFAOYSA-N 2 2 290.433 -0.542 20 0 CBADLP O=S(=O)(N1CC[NH2+]CC1)N1CCC(n2cc[nH+]c2)CC1 ZINC000923603560 658347898 /nfs/dbraw/zinc/34/78/98/658347898.db2.gz YIWACRKGDSMRLE-UHFFFAOYSA-N 2 2 299.400 -0.330 20 0 CBADLP O=S(=O)(C1C[NH2+]C1)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000923638704 658368296 /nfs/dbraw/zinc/36/82/96/658368296.db2.gz AITWKVGKJFRCHD-GFCCVEGCSA-N 2 2 282.369 -0.671 20 0 CBADLP O=S(=O)(C1C[NH2+]C1)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000923638705 658368919 /nfs/dbraw/zinc/36/89/19/658368919.db2.gz AITWKVGKJFRCHD-LBPRGKRZSA-N 2 2 282.369 -0.671 20 0 CBADLP C[N@H+](CCO)CCNC(=O)CNc1cccc[nH+]1 ZINC000925002812 658746723 /nfs/dbraw/zinc/74/67/23/658746723.db2.gz KZNNHIMEVAFTSR-UHFFFAOYSA-N 2 2 252.318 -0.466 20 0 CBADLP C[N@@H+](CCO)CCNC(=O)CNc1cccc[nH+]1 ZINC000925002812 658746823 /nfs/dbraw/zinc/74/68/23/658746823.db2.gz KZNNHIMEVAFTSR-UHFFFAOYSA-N 2 2 252.318 -0.466 20 0 CBADLP COC(=O)c1cn(CC[NH2+][C@H]2CC[NH2+]C2(C)C)nn1 ZINC000925666231 658864835 /nfs/dbraw/zinc/86/48/35/658864835.db2.gz KEHJFYUUTQIZRT-JTQLQIEISA-N 2 2 267.333 -0.205 20 0 CBADLP C[C@H]([NH2+]CC[C@@H]1CNCCS1(=O)=O)[C@@H]1CCCC[NH2+]1 ZINC000925788001 658871979 /nfs/dbraw/zinc/87/19/79/658871979.db2.gz FGXWARPAEWGDJS-XQQFMLRXSA-N 2 2 289.445 -0.117 20 0 CBADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CC[C@@H]([NH2+]CCO)C1 ZINC000969138651 658955656 /nfs/dbraw/zinc/95/56/56/658955656.db2.gz ZWYVMDCMCQXZRN-VXGBXAGGSA-N 2 2 278.356 -0.372 20 0 CBADLP [NH3+]CC(=O)NCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000037800891 656003658 /nfs/dbraw/zinc/00/36/58/656003658.db2.gz LNWWVGRIZMBUBE-UHFFFAOYSA-N 2 2 296.396 -0.533 20 0 CBADLP CC[NH+]1CCN(S(=O)(=O)CC2CC[NH2+]CC2)CC1 ZINC000049642124 656019975 /nfs/dbraw/zinc/01/99/75/656019975.db2.gz ZMDLMJNPYRXYPJ-UHFFFAOYSA-N 2 2 275.418 -0.047 20 0 CBADLP CO[C@H]1CCC[C@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000050373720 656020676 /nfs/dbraw/zinc/02/06/76/656020676.db2.gz MCWSMKMEHVAKGT-NEPJUHHUSA-N 2 2 255.362 -0.083 20 0 CBADLP CS(=O)(=O)N1CCC[C@@H](C[N@@H+]2CCC[NH2+]CC2)C1 ZINC000093695706 656061028 /nfs/dbraw/zinc/06/10/28/656061028.db2.gz DOHUTXCRNCXPCV-LBPRGKRZSA-N 2 2 275.418 -0.047 20 0 CBADLP CS(=O)(=O)N1CCC[C@@H](C[N@H+]2CCC[NH2+]CC2)C1 ZINC000093695706 656061030 /nfs/dbraw/zinc/06/10/30/656061030.db2.gz DOHUTXCRNCXPCV-LBPRGKRZSA-N 2 2 275.418 -0.047 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](C3OCCO3)C2)CC1 ZINC000180469288 656090893 /nfs/dbraw/zinc/09/08/93/656090893.db2.gz NGNQQCFKTVFKRI-CYBMUJFWSA-N 2 2 297.399 -0.155 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](C3OCCO3)C2)CC1 ZINC000180469288 656090898 /nfs/dbraw/zinc/09/08/98/656090898.db2.gz NGNQQCFKTVFKRI-CYBMUJFWSA-N 2 2 297.399 -0.155 20 0 CBADLP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C[NH3+])C2)C[C@H](C)O1 ZINC000224218486 656105830 /nfs/dbraw/zinc/10/58/30/656105830.db2.gz VDYNVBNAPRTBOW-TUAOUCFPSA-N 2 2 255.362 -0.097 20 0 CBADLP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C[NH3+])C2)C[C@H](C)O1 ZINC000224218486 656105833 /nfs/dbraw/zinc/10/58/33/656105833.db2.gz VDYNVBNAPRTBOW-TUAOUCFPSA-N 2 2 255.362 -0.097 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000311667230 656146356 /nfs/dbraw/zinc/14/63/56/656146356.db2.gz GQJPJQVPPRMRQX-TZMCWYRMSA-N 3 2 273.421 -0.015 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000311667230 656146357 /nfs/dbraw/zinc/14/63/57/656146357.db2.gz GQJPJQVPPRMRQX-TZMCWYRMSA-N 3 2 273.421 -0.015 20 0 CBADLP C[C@@H]1OCC[NH2+][C@H]1C(=O)NCCC[NH+]1CCOCC1 ZINC000328355979 656149024 /nfs/dbraw/zinc/14/90/24/656149024.db2.gz OEOGVKDZIAHHOG-NWDGAFQWSA-N 2 2 271.361 -0.798 20 0 CBADLP C[C@]1(C[N@@H+]2CC[C@@H](NS(C)(=O)=O)C2)CCC[NH2+]C1 ZINC000703019791 656182444 /nfs/dbraw/zinc/18/24/44/656182444.db2.gz LMLZPWFXDLHCFL-NEPJUHHUSA-N 2 2 275.418 0.000 20 0 CBADLP C[C@]1(C[N@H+]2CC[C@@H](NS(C)(=O)=O)C2)CCC[NH2+]C1 ZINC000703019791 656182447 /nfs/dbraw/zinc/18/24/47/656182447.db2.gz LMLZPWFXDLHCFL-NEPJUHHUSA-N 2 2 275.418 0.000 20 0 CBADLP Cn1c(C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc(=O)n(C)c1=O ZINC000703614584 656183492 /nfs/dbraw/zinc/18/34/92/656183492.db2.gz PLHMIDQLCBNXEV-IINYFYTJSA-N 2 2 278.356 -0.875 20 0 CBADLP Cn1c(C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc(=O)n(C)c1=O ZINC000703614584 656183493 /nfs/dbraw/zinc/18/34/93/656183493.db2.gz PLHMIDQLCBNXEV-IINYFYTJSA-N 2 2 278.356 -0.875 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CCC[C@H]([NH2+]CCO)C1 ZINC000708535103 656193401 /nfs/dbraw/zinc/19/34/01/656193401.db2.gz NAZHNJPIFMTIBB-NSHDSACASA-N 2 2 252.318 -0.544 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@]2(COC)C[NH2+]CCO2)CC1 ZINC000710753570 656200869 /nfs/dbraw/zinc/20/08/69/656200869.db2.gz AVBBOOCMVMQFCH-ZDUSSCGKSA-N 2 2 271.361 -0.845 20 0 CBADLP CCn1cc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)nn1 ZINC000714436102 656216022 /nfs/dbraw/zinc/21/60/22/656216022.db2.gz HTPYRLUHNPAWLX-CYBMUJFWSA-N 2 2 264.377 -0.223 20 0 CBADLP CCn1cc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)nn1 ZINC000714436102 656216026 /nfs/dbraw/zinc/21/60/26/656216026.db2.gz HTPYRLUHNPAWLX-CYBMUJFWSA-N 2 2 264.377 -0.223 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000715181819 656219030 /nfs/dbraw/zinc/21/90/30/656219030.db2.gz VCSQCXWHRGLKKR-GUBZILKMSA-N 2 2 277.315 -0.337 20 0 CBADLP C[N@@H+]1CCN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1CO ZINC000715866937 656220996 /nfs/dbraw/zinc/22/09/96/656220996.db2.gz XSILOHISDXVUMU-LLVKDONJSA-N 2 2 253.346 -0.783 20 0 CBADLP C[N@H+]1CCN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1CO ZINC000715866937 656221000 /nfs/dbraw/zinc/22/10/00/656221000.db2.gz XSILOHISDXVUMU-LLVKDONJSA-N 2 2 253.346 -0.783 20 0 CBADLP O=C(CC[NH2+]CC1CC1)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000717196483 656227037 /nfs/dbraw/zinc/22/70/37/656227037.db2.gz NEJYJUJCDVPTSM-CQSZACIVSA-N 2 2 280.416 -0.118 20 0 CBADLP O=C(CC[NH2+]CC1CC1)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000717196483 656227042 /nfs/dbraw/zinc/22/70/42/656227042.db2.gz NEJYJUJCDVPTSM-CQSZACIVSA-N 2 2 280.416 -0.118 20 0 CBADLP C[C@H](C(=O)N[C@@]12CCC[C@H]1[NH2+]CC2)N1CC[NH2+]CC1=O ZINC000877386044 656246811 /nfs/dbraw/zinc/24/68/11/656246811.db2.gz PBDXLXAUAYEOMM-JTNHKYCSSA-N 2 2 280.372 -0.793 20 0 CBADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)COC1CC[NH2+]CC1 ZINC000877432225 656247846 /nfs/dbraw/zinc/24/78/46/656247846.db2.gz BLYIXWKFKFIKMS-ZDUSSCGKSA-N 2 2 299.415 -0.018 20 0 CBADLP CC[C@H]1COCC[N@H+]1CCNC(=O)COC1CC[NH2+]CC1 ZINC000877432225 656247847 /nfs/dbraw/zinc/24/78/47/656247847.db2.gz BLYIXWKFKFIKMS-ZDUSSCGKSA-N 2 2 299.415 -0.018 20 0 CBADLP CN1CCN(C(=O)NC[C@@H]2CC[NH+]2C)CC[N@H+](C)CC1 ZINC000896618303 656290953 /nfs/dbraw/zinc/29/09/53/656290953.db2.gz AVAAYOGZOOLHPI-ZDUSSCGKSA-N 2 2 283.420 -0.421 20 0 CBADLP CN1CCN(C(=O)NC[C@@H]2CC[NH+]2C)CC[N@@H+](C)CC1 ZINC000896618303 656290954 /nfs/dbraw/zinc/29/09/54/656290954.db2.gz AVAAYOGZOOLHPI-ZDUSSCGKSA-N 2 2 283.420 -0.421 20 0 CBADLP CN1CCN(C(=O)NC[C@@H]2CC[N@@H+]2C)CC[NH+](C)CC1 ZINC000896618303 656290955 /nfs/dbraw/zinc/29/09/55/656290955.db2.gz AVAAYOGZOOLHPI-ZDUSSCGKSA-N 2 2 283.420 -0.421 20 0 CBADLP CN1CCN(C(=O)NC[C@@H]2CC[N@H+]2C)CC[NH+](C)CC1 ZINC000896618303 656290957 /nfs/dbraw/zinc/29/09/57/656290957.db2.gz AVAAYOGZOOLHPI-ZDUSSCGKSA-N 2 2 283.420 -0.421 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000900208433 656307260 /nfs/dbraw/zinc/30/72/60/656307260.db2.gz IUMAQGBSDPMLPT-DZGCQCFKSA-N 2 2 299.415 -0.330 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000900208433 656307261 /nfs/dbraw/zinc/30/72/61/656307261.db2.gz IUMAQGBSDPMLPT-DZGCQCFKSA-N 2 2 299.415 -0.330 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@H](C)[C@H]1C[N@H+](C)CCN1C ZINC000900813477 656312960 /nfs/dbraw/zinc/31/29/60/656312960.db2.gz ZLLBAKPEMDAIKD-DGCLKSJQSA-N 2 2 279.388 -0.058 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC000900813477 656312962 /nfs/dbraw/zinc/31/29/62/656312962.db2.gz ZLLBAKPEMDAIKD-DGCLKSJQSA-N 2 2 279.388 -0.058 20 0 CBADLP COC(=O)[C@@H]1C[N@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CCO1 ZINC000903753327 656321868 /nfs/dbraw/zinc/32/18/68/656321868.db2.gz TYKFKJDCPAHAMO-DYEKYZERSA-N 2 2 284.356 -0.371 20 0 CBADLP COC(=O)[C@@H]1C[N@@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CCO1 ZINC000903753327 656321869 /nfs/dbraw/zinc/32/18/69/656321869.db2.gz TYKFKJDCPAHAMO-DYEKYZERSA-N 2 2 284.356 -0.371 20 0 CBADLP COC(=O)[C@@H]1C[N@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CCO1 ZINC000903753328 656322232 /nfs/dbraw/zinc/32/22/32/656322232.db2.gz TYKFKJDCPAHAMO-MBNYWOFBSA-N 2 2 284.356 -0.371 20 0 CBADLP COC(=O)[C@@H]1C[N@@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CCO1 ZINC000903753328 656322236 /nfs/dbraw/zinc/32/22/36/656322236.db2.gz TYKFKJDCPAHAMO-MBNYWOFBSA-N 2 2 284.356 -0.371 20 0 CBADLP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000904332149 656325224 /nfs/dbraw/zinc/32/52/24/656325224.db2.gz NOXXLVYBTUKABQ-XQQFMLRXSA-N 3 2 266.389 -0.380 20 0 CBADLP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000904332149 656325225 /nfs/dbraw/zinc/32/52/25/656325225.db2.gz NOXXLVYBTUKABQ-XQQFMLRXSA-N 3 2 266.389 -0.380 20 0 CBADLP C[NH+]1CCN(c2ncc(C[NH2+][C@H]3CNOC3)cn2)CC1 ZINC000904425556 656326992 /nfs/dbraw/zinc/32/69/92/656326992.db2.gz QRLJSYDKTAQTOY-LBPRGKRZSA-N 2 2 278.360 -0.779 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@]32C[NH3+])CC1 ZINC000904998271 656331760 /nfs/dbraw/zinc/33/17/60/656331760.db2.gz CJVULZJAFBOXCC-IUODEOHRSA-N 2 2 294.399 -0.510 20 0 CBADLP C[NH+]1CCN(C(=O)C(=O)N2CCC[C@]23CC[NH2+]C3)CC1 ZINC000905007447 656333103 /nfs/dbraw/zinc/33/31/03/656333103.db2.gz IBSJRIOETXZZTI-CQSZACIVSA-N 2 2 280.372 -0.885 20 0 CBADLP O[C@H](C[NH2+][C@H]1CC[N@H+](CC2CC2)C1)C[C@@]1(O)CCOC1 ZINC000905102582 656339014 /nfs/dbraw/zinc/33/90/14/656339014.db2.gz UFASDRDRTLQIAW-KKUMJFAQSA-N 2 2 284.400 -0.037 20 0 CBADLP O[C@H](C[NH2+][C@H]1CC[N@@H+](CC2CC2)C1)C[C@@]1(O)CCOC1 ZINC000905102582 656339017 /nfs/dbraw/zinc/33/90/17/656339017.db2.gz UFASDRDRTLQIAW-KKUMJFAQSA-N 2 2 284.400 -0.037 20 0 CBADLP CC[C@H]([NH3+])CNS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000905344637 656351282 /nfs/dbraw/zinc/35/12/82/656351282.db2.gz QCQDXESCSOQZPC-NSHDSACASA-N 2 2 279.406 -0.635 20 0 CBADLP C[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000905361638 656353531 /nfs/dbraw/zinc/35/35/31/656353531.db2.gz IHSVJAODZWMQAZ-NWDGAFQWSA-N 2 2 291.417 -0.622 20 0 CBADLP [NH3+][C@H]1C[C@@H](CNS(=O)(=O)CCC[NH+]2CCOCC2)C1 ZINC000905359997 656353762 /nfs/dbraw/zinc/35/37/62/656353762.db2.gz QPQREVCTKBLUPY-TXEJJXNPSA-N 2 2 291.417 -0.635 20 0 CBADLP CCO[C@H](C[NH2+]C[C@H](O)Cn1cccn1)C[NH+](C)C ZINC000905579827 656362404 /nfs/dbraw/zinc/36/24/04/656362404.db2.gz LNIPUQJZVQFZME-QWHCGFSZSA-N 2 2 270.377 -0.200 20 0 CBADLP CN1CC[N@H+](C)CC(C(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC000906431549 656386927 /nfs/dbraw/zinc/38/69/27/656386927.db2.gz CJAQVGQLXQFCTD-UHFFFAOYSA-N 2 2 280.416 -0.214 20 0 CBADLP CN1CC[N@@H+](C)CC(C(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC000906431549 656386929 /nfs/dbraw/zinc/38/69/29/656386929.db2.gz CJAQVGQLXQFCTD-UHFFFAOYSA-N 2 2 280.416 -0.214 20 0 CBADLP NC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000996686216 656453323 /nfs/dbraw/zinc/45/33/23/656453323.db2.gz VFTMIDXVVQTOTP-GHMZBOCLSA-N 2 2 291.355 -0.421 20 0 CBADLP NC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000996686216 656453325 /nfs/dbraw/zinc/45/33/25/656453325.db2.gz VFTMIDXVVQTOTP-GHMZBOCLSA-N 2 2 291.355 -0.421 20 0 CBADLP NC(=O)C[NH2+]C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000997121793 656467288 /nfs/dbraw/zinc/46/72/88/656467288.db2.gz BGHQCQSOQZHYEE-UHFFFAOYSA-N 2 2 265.317 -0.982 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N1CCC([NH2+][C@H]2CCNC2=O)CC1 ZINC000997123945 656467752 /nfs/dbraw/zinc/46/77/52/656467752.db2.gz IYJGCFPGLVBPIQ-NSHDSACASA-N 2 2 291.355 -0.579 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)N1CCC([NH2+]CC(N)=O)CC1 ZINC000997235762 656470071 /nfs/dbraw/zinc/47/00/71/656470071.db2.gz CYWXJGYMMXPHFQ-UHFFFAOYSA-N 2 2 293.371 -0.581 20 0 CBADLP CC[C@H]([NH2+]C1CCN(C(=O)Cn2cc[nH+]c2)CC1)C(N)=O ZINC000997416521 656477300 /nfs/dbraw/zinc/47/73/00/656477300.db2.gz KXMIAOSGJXXYAT-LBPRGKRZSA-N 2 2 293.371 -0.272 20 0 CBADLP C[N@@H+]1CC[C@@](O)(CNC(=O)CNc2cccc[nH+]2)C1 ZINC000907389687 656499954 /nfs/dbraw/zinc/49/99/54/656499954.db2.gz SWYMRDRVYLWASK-CYBMUJFWSA-N 2 2 264.329 -0.324 20 0 CBADLP C[N@H+]1CC[C@@](O)(CNC(=O)CNc2cccc[nH+]2)C1 ZINC000907389687 656499961 /nfs/dbraw/zinc/49/99/61/656499961.db2.gz SWYMRDRVYLWASK-CYBMUJFWSA-N 2 2 264.329 -0.324 20 0 CBADLP CC[N@H+](CCO)CCNC(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000907440313 656506636 /nfs/dbraw/zinc/50/66/36/656506636.db2.gz GGNGCHWVLSAWFI-OWBHPGMISA-N 2 2 299.415 -0.305 20 0 CBADLP CC[N@@H+](CCO)CCNC(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000907440313 656506644 /nfs/dbraw/zinc/50/66/44/656506644.db2.gz GGNGCHWVLSAWFI-OWBHPGMISA-N 2 2 299.415 -0.305 20 0 CBADLP C[C@H]([NH2+][C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1)C(N)=O ZINC000999320518 656620792 /nfs/dbraw/zinc/62/07/92/656620792.db2.gz AAEPYTAUQHPITQ-JQWIXIFHSA-N 2 2 293.371 -0.203 20 0 CBADLP C[C@H]([NH2+][C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1)C(N)=O ZINC000999320518 656620802 /nfs/dbraw/zinc/62/08/02/656620802.db2.gz AAEPYTAUQHPITQ-JQWIXIFHSA-N 2 2 293.371 -0.203 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)N1CCC[C@@H]([NH2+]CCO)C1 ZINC000999777614 656649945 /nfs/dbraw/zinc/64/99/45/656649945.db2.gz SQJVYPJOQFCVJE-GFCCVEGCSA-N 2 2 280.372 -0.074 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@H](CO)C[NH+]1CCCC1 ZINC000908206275 656672485 /nfs/dbraw/zinc/67/24/85/656672485.db2.gz YQHRJKSPUVPXRK-NSHDSACASA-N 2 2 252.318 -0.544 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001000314956 656710044 /nfs/dbraw/zinc/71/00/44/656710044.db2.gz AMEPWBOLFAEITD-SNVBAGLBSA-N 2 2 252.318 -0.475 20 0 CBADLP C[C@@H]([NH2+][C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1)C(N)=O ZINC001000545507 656735317 /nfs/dbraw/zinc/73/53/17/656735317.db2.gz NEPVOCLWQYGAJF-NXEZZACHSA-N 2 2 279.344 -0.593 20 0 CBADLP C[N@@H+]1CC[C@@H](C(=O)N2CC(NC(=O)Cc3c[nH]c[nH+]3)C2)C1 ZINC001000578751 656744647 /nfs/dbraw/zinc/74/46/47/656744647.db2.gz XLXLNXCYCYASQC-SNVBAGLBSA-N 2 2 291.355 -0.769 20 0 CBADLP C[N@H+]1CC[C@@H](C(=O)N2CC(NC(=O)Cc3c[nH]c[nH+]3)C2)C1 ZINC001000578751 656744655 /nfs/dbraw/zinc/74/46/55/656744655.db2.gz XLXLNXCYCYASQC-SNVBAGLBSA-N 2 2 291.355 -0.769 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001000816668 656767211 /nfs/dbraw/zinc/76/72/11/656767211.db2.gz GDDPZKQVRYKTJD-GFCCVEGCSA-N 2 2 280.372 -0.074 20 0 CBADLP CC[C@@H]([NH2+][C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1)C(N)=O ZINC001001052897 656793361 /nfs/dbraw/zinc/79/33/61/656793361.db2.gz PVSZUHKUJZYLRE-NWDGAFQWSA-N 2 2 293.371 -0.272 20 0 CBADLP O=C(CNC(=O)Cc1[nH]cc[nH+]1)NCC[NH+]1CCCCC1 ZINC000909315538 656805881 /nfs/dbraw/zinc/80/58/81/656805881.db2.gz QREUDYFGBCZCSW-UHFFFAOYSA-N 2 2 293.371 -0.330 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC1CC[NH+]([C@H](C)C(N)=O)CC1 ZINC001004146493 656881672 /nfs/dbraw/zinc/88/16/72/656881672.db2.gz UJYOSYYKBJDFBC-SNVBAGLBSA-N 2 2 293.371 -0.354 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC1CC[NH+](CCO)CC1 ZINC001004254178 656883516 /nfs/dbraw/zinc/88/35/16/656883516.db2.gz VRIOAYCSTVFKFS-UHFFFAOYSA-N 2 2 252.318 -0.544 20 0 CBADLP O=C(NCCn1cc[nH+]c1)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000910986899 656922848 /nfs/dbraw/zinc/92/28/48/656922848.db2.gz LMINUNSQYPKTRW-AWEZNQCLSA-N 2 2 291.355 -0.646 20 0 CBADLP CC1(C)CN(C(=O)C(=O)NCCn2cc[nH+]c2)C[C@H]1[NH3+] ZINC000910985932 656922994 /nfs/dbraw/zinc/92/29/94/656922994.db2.gz FTLRVVQYAKAQMV-SNVBAGLBSA-N 2 2 279.344 -0.805 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000911229672 656991023 /nfs/dbraw/zinc/99/10/23/656991023.db2.gz LPRXSQMDMIUKBN-WOPDTQHZSA-N 2 2 293.371 -0.641 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000911231267 656991270 /nfs/dbraw/zinc/99/12/70/656991270.db2.gz ZDTUZDBONHYUQS-GHMZBOCLSA-N 2 2 293.371 -0.417 20 0 CBADLP CC1(C)C[NH2+]C[C@@H]1NC(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000911247784 656998057 /nfs/dbraw/zinc/99/80/57/656998057.db2.gz RRDCTPLVYBYONA-NSHDSACASA-N 2 2 293.371 -0.496 20 0 CBADLP O=C(NCCCn1cc[nH+]c1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000911247329 656998093 /nfs/dbraw/zinc/99/80/93/656998093.db2.gz PCJXIPCCVRVTFK-GRYCIOLGSA-N 2 2 291.355 -0.602 20 0 CBADLP NC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001007350212 657006397 /nfs/dbraw/zinc/00/63/97/657006397.db2.gz PKXDTHMGNDGKIG-STQMWFEESA-N 2 2 294.399 -0.606 20 0 CBADLP NC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001007350212 657006404 /nfs/dbraw/zinc/00/64/04/657006404.db2.gz PKXDTHMGNDGKIG-STQMWFEESA-N 2 2 294.399 -0.606 20 0 CBADLP CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001007370338 657008004 /nfs/dbraw/zinc/00/80/04/657008004.db2.gz ZFTIYVBBJJXQCI-JHJVBQTASA-N 2 2 296.415 -0.347 20 0 CBADLP CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001007370338 657008007 /nfs/dbraw/zinc/00/80/07/657008007.db2.gz ZFTIYVBBJJXQCI-JHJVBQTASA-N 2 2 296.415 -0.347 20 0 CBADLP CNC(=O)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001007370338 657008008 /nfs/dbraw/zinc/00/80/08/657008008.db2.gz ZFTIYVBBJJXQCI-JHJVBQTASA-N 2 2 296.415 -0.347 20 0 CBADLP CNC(=O)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001007370338 657008012 /nfs/dbraw/zinc/00/80/12/657008012.db2.gz ZFTIYVBBJJXQCI-JHJVBQTASA-N 2 2 296.415 -0.347 20 0 CBADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2CCC[N@H+](CCO)C2)no1 ZINC001007728144 657019368 /nfs/dbraw/zinc/01/93/68/657019368.db2.gz RKCHHSRFQDSBJS-LLVKDONJSA-N 2 2 296.371 -0.077 20 0 CBADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](CCO)C2)no1 ZINC001007728144 657019371 /nfs/dbraw/zinc/01/93/71/657019371.db2.gz RKCHHSRFQDSBJS-LLVKDONJSA-N 2 2 296.371 -0.077 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001007943081 657027361 /nfs/dbraw/zinc/02/73/61/657027361.db2.gz HKAGGERWIWXYJR-NWDGAFQWSA-N 2 2 293.371 -0.354 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001007943081 657027367 /nfs/dbraw/zinc/02/73/67/657027367.db2.gz HKAGGERWIWXYJR-NWDGAFQWSA-N 2 2 293.371 -0.354 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCC[N@H+](CCO)C1 ZINC001009210864 657069343 /nfs/dbraw/zinc/06/93/43/657069343.db2.gz YVXCFACAHOATHJ-LLVKDONJSA-N 2 2 266.345 -0.465 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCC[N@@H+](CCO)C1 ZINC001009210864 657069346 /nfs/dbraw/zinc/06/93/46/657069346.db2.gz YVXCFACAHOATHJ-LLVKDONJSA-N 2 2 266.345 -0.465 20 0 CBADLP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCC[NH+](CC(N)=O)C2)C1 ZINC001009513495 657076534 /nfs/dbraw/zinc/07/65/34/657076534.db2.gz GRUVTPJOFVHAGX-GHMZBOCLSA-N 2 2 268.361 -0.996 20 0 CBADLP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCC[NH+](CC(N)=O)C2)C1 ZINC001009513495 657076540 /nfs/dbraw/zinc/07/65/40/657076540.db2.gz GRUVTPJOFVHAGX-GHMZBOCLSA-N 2 2 268.361 -0.996 20 0 CBADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCC[N@H+](CC(N)=O)C2)C1 ZINC001009513495 657076542 /nfs/dbraw/zinc/07/65/42/657076542.db2.gz GRUVTPJOFVHAGX-GHMZBOCLSA-N 2 2 268.361 -0.996 20 0 CBADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)C2)C1 ZINC001009513495 657076546 /nfs/dbraw/zinc/07/65/46/657076546.db2.gz GRUVTPJOFVHAGX-GHMZBOCLSA-N 2 2 268.361 -0.996 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001009518717 657076796 /nfs/dbraw/zinc/07/67/96/657076796.db2.gz STANCBFGZFZTGA-NWDGAFQWSA-N 2 2 282.388 -0.463 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001009518717 657076798 /nfs/dbraw/zinc/07/67/98/657076798.db2.gz STANCBFGZFZTGA-NWDGAFQWSA-N 2 2 282.388 -0.463 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001009524251 657078666 /nfs/dbraw/zinc/07/86/66/657078666.db2.gz NLNODRSOGHKRFD-ZYHUDNBSSA-N 2 2 293.371 -0.354 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@H+]([C@H](C)C(N)=O)C1 ZINC001009524251 657078671 /nfs/dbraw/zinc/07/86/71/657078671.db2.gz NLNODRSOGHKRFD-ZYHUDNBSSA-N 2 2 293.371 -0.354 20 0 CBADLP [NH3+][C@@H](CC(=O)NCCCN1CC[NH2+]CC1)C(F)F ZINC000911629716 657088942 /nfs/dbraw/zinc/08/89/42/657088942.db2.gz IBKHZQUKPWDCOP-VIFPVBQESA-N 2 2 264.320 -0.620 20 0 CBADLP C[C@H](O)C[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001009714008 657092823 /nfs/dbraw/zinc/09/28/23/657092823.db2.gz CGYBYOWPWQJJSZ-NWDGAFQWSA-N 2 2 266.345 -0.156 20 0 CBADLP C[C@H](O)C[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001009714008 657092827 /nfs/dbraw/zinc/09/28/27/657092827.db2.gz CGYBYOWPWQJJSZ-NWDGAFQWSA-N 2 2 266.345 -0.156 20 0 CBADLP C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000911657761 657098868 /nfs/dbraw/zinc/09/88/68/657098868.db2.gz ZDEDVEUKDSAIPH-MCIONIFRSA-N 2 2 297.399 -0.314 20 0 CBADLP O=C(N[C@H]1CCC[NH2+]C1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000911673072 657101113 /nfs/dbraw/zinc/10/11/13/657101113.db2.gz JRGRICOKNQQUEZ-MJBXVCDLSA-N 2 2 297.399 -0.266 20 0 CBADLP CN(CCN1CC[NH2+]CC1)C(=O)Cc1[nH]cc[nH+]1 ZINC000911773407 657125822 /nfs/dbraw/zinc/12/58/22/657125822.db2.gz BJZIKHJCKLITOM-UHFFFAOYSA-N 2 2 251.334 -0.684 20 0 CBADLP CN(CCN1CC[NH2+]CC1)C(=O)C[C@@H]([NH3+])C(F)F ZINC000911775493 657126154 /nfs/dbraw/zinc/12/61/54/657126154.db2.gz QARUJPUAPBPQGA-SECBINFHSA-N 2 2 264.320 -0.668 20 0 CBADLP C[C@@H](C[NH3+])N(C)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000911810559 657136511 /nfs/dbraw/zinc/13/65/11/657136511.db2.gz NGTIKOQCAHPUPG-XQQFMLRXSA-N 2 2 285.388 -0.328 20 0 CBADLP C[C@H](C[NH3+])N(C)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000911810558 657137112 /nfs/dbraw/zinc/13/71/12/657137112.db2.gz NGTIKOQCAHPUPG-UPJWGTAASA-N 2 2 285.388 -0.328 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001010368473 657165891 /nfs/dbraw/zinc/16/58/91/657165891.db2.gz DSUIDFGHYOOOBU-QWRGUYRKSA-N 2 2 268.361 -0.983 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001010368473 657165899 /nfs/dbraw/zinc/16/58/99/657165899.db2.gz DSUIDFGHYOOOBU-QWRGUYRKSA-N 2 2 268.361 -0.983 20 0 CBADLP CNC(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001010368473 657165910 /nfs/dbraw/zinc/16/59/10/657165910.db2.gz DSUIDFGHYOOOBU-QWRGUYRKSA-N 2 2 268.361 -0.983 20 0 CBADLP CNC(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001010368473 657165917 /nfs/dbraw/zinc/16/59/17/657165917.db2.gz DSUIDFGHYOOOBU-QWRGUYRKSA-N 2 2 268.361 -0.983 20 0 CBADLP C[NH+]1CCC(N(CCO)C(=O)Cn2cc[nH+]c2)CC1 ZINC000911938968 657169967 /nfs/dbraw/zinc/16/99/67/657169967.db2.gz PKOCQJNNQVGJRP-UHFFFAOYSA-N 2 2 266.345 -0.202 20 0 CBADLP C/C(=C\C(=O)N(C)CC[N@H+](C)CCO)C[NH+]1CCOCC1 ZINC000912600520 657291382 /nfs/dbraw/zinc/29/13/82/657291382.db2.gz VVQBAGCPMWQYGS-WYMLVPIESA-N 2 2 299.415 -0.353 20 0 CBADLP C/C(=C\C(=O)N(C)CC[N@@H+](C)CCO)C[NH+]1CCOCC1 ZINC000912600520 657291399 /nfs/dbraw/zinc/29/13/99/657291399.db2.gz VVQBAGCPMWQYGS-WYMLVPIESA-N 2 2 299.415 -0.353 20 0 CBADLP C[N@@H+]1CCN(C(=O)C2C[NH+](C3CCOCC3)C2)[C@@H](CO)C1 ZINC000912734123 657317423 /nfs/dbraw/zinc/31/74/23/657317423.db2.gz DQONFTKBJDTJMX-CQSZACIVSA-N 2 2 297.399 -0.768 20 0 CBADLP C[N@H+]1CCN(C(=O)C2C[NH+](C3CCOCC3)C2)[C@@H](CO)C1 ZINC000912734123 657317428 /nfs/dbraw/zinc/31/74/28/657317428.db2.gz DQONFTKBJDTJMX-CQSZACIVSA-N 2 2 297.399 -0.768 20 0 CBADLP C[NH+](C)CCn1cc(C(=O)N2CC[N@H+](C)C[C@@H]2CO)cn1 ZINC000912736534 657320839 /nfs/dbraw/zinc/32/08/39/657320839.db2.gz WYHAIOVEEUJNGU-CYBMUJFWSA-N 2 2 295.387 -0.807 20 0 CBADLP C[NH+](C)CCn1cc(C(=O)N2CC[N@@H+](C)C[C@@H]2CO)cn1 ZINC000912736534 657320852 /nfs/dbraw/zinc/32/08/52/657320852.db2.gz WYHAIOVEEUJNGU-CYBMUJFWSA-N 2 2 295.387 -0.807 20 0 CBADLP CC1CC[NH+](CC(=O)N2CC[N@H+](C)C[C@H]2CO)CC1 ZINC000912742564 657334832 /nfs/dbraw/zinc/33/48/32/657334832.db2.gz BQUUWNTUGJQNID-ZDUSSCGKSA-N 2 2 269.389 -0.147 20 0 CBADLP CC1CC[NH+](CC(=O)N2CC[N@@H+](C)C[C@H]2CO)CC1 ZINC000912742564 657334834 /nfs/dbraw/zinc/33/48/34/657334834.db2.gz BQUUWNTUGJQNID-ZDUSSCGKSA-N 2 2 269.389 -0.147 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001015089819 657406302 /nfs/dbraw/zinc/40/63/02/657406302.db2.gz NEEMOQOSRYOLOQ-NEPJUHHUSA-N 2 2 294.399 -0.321 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001015089819 657406304 /nfs/dbraw/zinc/40/63/04/657406304.db2.gz NEEMOQOSRYOLOQ-NEPJUHHUSA-N 2 2 294.399 -0.321 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001015089821 657406335 /nfs/dbraw/zinc/40/63/35/657406335.db2.gz NEEMOQOSRYOLOQ-NWDGAFQWSA-N 2 2 294.399 -0.321 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001015089821 657406338 /nfs/dbraw/zinc/40/63/38/657406338.db2.gz NEEMOQOSRYOLOQ-NWDGAFQWSA-N 2 2 294.399 -0.321 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001015286365 657427874 /nfs/dbraw/zinc/42/78/74/657427874.db2.gz OPQORVWUJOJFRI-LLVKDONJSA-N 2 2 279.344 -0.872 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001015286365 657427879 /nfs/dbraw/zinc/42/78/79/657427879.db2.gz OPQORVWUJOJFRI-LLVKDONJSA-N 2 2 279.344 -0.872 20 0 CBADLP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001015596254 657466289 /nfs/dbraw/zinc/46/62/89/657466289.db2.gz ABXOKFVDTQJMFN-CHWSQXEVSA-N 2 2 296.415 -0.216 20 0 CBADLP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001015596254 657466318 /nfs/dbraw/zinc/46/63/18/657466318.db2.gz ABXOKFVDTQJMFN-CHWSQXEVSA-N 2 2 296.415 -0.216 20 0 CBADLP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)C1 ZINC001015596254 657466343 /nfs/dbraw/zinc/46/63/43/657466343.db2.gz ABXOKFVDTQJMFN-CHWSQXEVSA-N 2 2 296.415 -0.216 20 0 CBADLP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)C1 ZINC001015596254 657466372 /nfs/dbraw/zinc/46/63/72/657466372.db2.gz ABXOKFVDTQJMFN-CHWSQXEVSA-N 2 2 296.415 -0.216 20 0 CBADLP C[C@H]1C[C@@H](C(=O)N[C@H]2CC[NH+](CC(N)=O)C2)CC[N@@H+]1C ZINC001015607259 657472750 /nfs/dbraw/zinc/47/27/50/657472750.db2.gz JARUDCHFZAEVDV-SRVKXCTJSA-N 2 2 282.388 -0.608 20 0 CBADLP C[C@H]1C[C@@H](C(=O)N[C@H]2CC[NH+](CC(N)=O)C2)CC[N@H+]1C ZINC001015607259 657472765 /nfs/dbraw/zinc/47/27/65/657472765.db2.gz JARUDCHFZAEVDV-SRVKXCTJSA-N 2 2 282.388 -0.608 20 0 CBADLP C[C@H]1C[C@@H](C(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)CC[NH+]1C ZINC001015607259 657472773 /nfs/dbraw/zinc/47/27/73/657472773.db2.gz JARUDCHFZAEVDV-SRVKXCTJSA-N 2 2 282.388 -0.608 20 0 CBADLP C[C@H]1C[C@@H](C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)CC[NH+]1C ZINC001015607259 657472789 /nfs/dbraw/zinc/47/27/89/657472789.db2.gz JARUDCHFZAEVDV-SRVKXCTJSA-N 2 2 282.388 -0.608 20 0 CBADLP CN(C[C@H]1C[N@H+](C)CCO1)C(=O)C[C@@]1(O)CCC[NH+](C)C1 ZINC000913508153 657481745 /nfs/dbraw/zinc/48/17/45/657481745.db2.gz WMHVWKOKSBIATC-HIFRSBDPSA-N 2 2 299.415 -0.378 20 0 CBADLP CN(C[C@H]1C[N@@H+](C)CCO1)C(=O)C[C@@]1(O)CCC[NH+](C)C1 ZINC000913508153 657481753 /nfs/dbraw/zinc/48/17/53/657481753.db2.gz WMHVWKOKSBIATC-HIFRSBDPSA-N 2 2 299.415 -0.378 20 0 CBADLP CN(C[C@H]1C[NH+](C)CCO1)C(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000913508153 657481756 /nfs/dbraw/zinc/48/17/56/657481756.db2.gz WMHVWKOKSBIATC-HIFRSBDPSA-N 2 2 299.415 -0.378 20 0 CBADLP CN(C[C@H]1C[NH+](C)CCO1)C(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000913508153 657481758 /nfs/dbraw/zinc/48/17/58/657481758.db2.gz WMHVWKOKSBIATC-HIFRSBDPSA-N 2 2 299.415 -0.378 20 0 CBADLP C[C@H]1CC[N@H+](CC(=O)N[C@H]2CC[NH+](CC(=O)N(C)C)C2)C1 ZINC001015705940 657523808 /nfs/dbraw/zinc/52/38/08/657523808.db2.gz QSGGJNAGBHRQPQ-STQMWFEESA-N 2 2 296.415 -0.393 20 0 CBADLP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CC[NH+](CC(=O)N(C)C)C2)C1 ZINC001015705940 657523814 /nfs/dbraw/zinc/52/38/14/657523814.db2.gz QSGGJNAGBHRQPQ-STQMWFEESA-N 2 2 296.415 -0.393 20 0 CBADLP C[C@H]1CC[NH+](CC(=O)N[C@H]2CC[N@H+](CC(=O)N(C)C)C2)C1 ZINC001015705940 657523822 /nfs/dbraw/zinc/52/38/22/657523822.db2.gz QSGGJNAGBHRQPQ-STQMWFEESA-N 2 2 296.415 -0.393 20 0 CBADLP C[C@H]1CC[NH+](CC(=O)N[C@H]2CC[N@@H+](CC(=O)N(C)C)C2)C1 ZINC001015705940 657523831 /nfs/dbraw/zinc/52/38/31/657523831.db2.gz QSGGJNAGBHRQPQ-STQMWFEESA-N 2 2 296.415 -0.393 20 0 CBADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000913547989 657528280 /nfs/dbraw/zinc/52/82/80/657528280.db2.gz AGBSQIWJGQYQNT-JHJVBQTASA-N 2 2 269.389 -0.006 20 0 CBADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000913547989 657528289 /nfs/dbraw/zinc/52/82/89/657528289.db2.gz AGBSQIWJGQYQNT-JHJVBQTASA-N 2 2 269.389 -0.006 20 0 CBADLP C[N@H+](CC(=O)N1CC[NH+](C)[C@H](CO)C1)[C@@H]1CCSC1 ZINC000913547854 657529557 /nfs/dbraw/zinc/52/95/57/657529557.db2.gz XZPRNXBQYWKUJU-NEPJUHHUSA-N 2 2 287.429 -0.441 20 0 CBADLP C[N@@H+](CC(=O)N1CC[NH+](C)[C@H](CO)C1)[C@@H]1CCSC1 ZINC000913547854 657529560 /nfs/dbraw/zinc/52/95/60/657529560.db2.gz XZPRNXBQYWKUJU-NEPJUHHUSA-N 2 2 287.429 -0.441 20 0 CBADLP C[NH+](CC(=O)N1CC[N@H+](C)[C@H](CO)C1)[C@@H]1CCSC1 ZINC000913547854 657529561 /nfs/dbraw/zinc/52/95/61/657529561.db2.gz XZPRNXBQYWKUJU-NEPJUHHUSA-N 2 2 287.429 -0.441 20 0 CBADLP C[NH+](CC(=O)N1CC[N@@H+](C)[C@H](CO)C1)[C@@H]1CCSC1 ZINC000913547854 657529566 /nfs/dbraw/zinc/52/95/66/657529566.db2.gz XZPRNXBQYWKUJU-NEPJUHHUSA-N 2 2 287.429 -0.441 20 0 CBADLP C[NH+]1CCCC[C@@H]1C(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000913549209 657533916 /nfs/dbraw/zinc/53/39/16/657533916.db2.gz XUWKTWIATOQZBL-NWDGAFQWSA-N 2 2 255.362 -0.394 20 0 CBADLP C[NH+]1CCCC[C@@H]1C(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000913549209 657533943 /nfs/dbraw/zinc/53/39/43/657533943.db2.gz XUWKTWIATOQZBL-NWDGAFQWSA-N 2 2 255.362 -0.394 20 0 CBADLP C[NH+]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1CO ZINC000913549209 657533966 /nfs/dbraw/zinc/53/39/66/657533966.db2.gz XUWKTWIATOQZBL-NWDGAFQWSA-N 2 2 255.362 -0.394 20 0 CBADLP C[NH+]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1CO ZINC000913549209 657533991 /nfs/dbraw/zinc/53/39/91/657533991.db2.gz XUWKTWIATOQZBL-NWDGAFQWSA-N 2 2 255.362 -0.394 20 0 CBADLP C[C@H]1C[N@H+](C)C[C@H](C(=O)NC23CC[NH+](CC2)C3)O1 ZINC000913636423 657572347 /nfs/dbraw/zinc/57/23/47/657572347.db2.gz FUUNJUVQDKFOPC-WDEREUQCSA-N 2 2 253.346 -0.330 20 0 CBADLP C[C@H]1C[N@@H+](C)C[C@H](C(=O)NC23CC[NH+](CC2)C3)O1 ZINC000913636423 657572361 /nfs/dbraw/zinc/57/23/61/657572361.db2.gz FUUNJUVQDKFOPC-WDEREUQCSA-N 2 2 253.346 -0.330 20 0 CBADLP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NC12CC[NH+](CC1)C2 ZINC000913636375 657573292 /nfs/dbraw/zinc/57/32/92/657573292.db2.gz DIDWVVBQGITZCP-JQWIXIFHSA-N 2 2 253.346 -0.594 20 0 CBADLP C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NC12CC[NH+](CC1)C2 ZINC000913636375 657573298 /nfs/dbraw/zinc/57/32/98/657573298.db2.gz DIDWVVBQGITZCP-JQWIXIFHSA-N 2 2 253.346 -0.594 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001016003580 657627966 /nfs/dbraw/zinc/62/79/66/657627966.db2.gz KJJKPYILZBAUPS-WDEREUQCSA-N 2 2 280.372 -0.854 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001016003580 657627974 /nfs/dbraw/zinc/62/79/74/657627974.db2.gz KJJKPYILZBAUPS-WDEREUQCSA-N 2 2 280.372 -0.854 20 0 CBADLP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001015998256 657628565 /nfs/dbraw/zinc/62/85/65/657628565.db2.gz NCRJVIPEYJIHAY-GHMZBOCLSA-N 2 2 268.361 -0.996 20 0 CBADLP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001015998256 657628571 /nfs/dbraw/zinc/62/85/71/657628571.db2.gz NCRJVIPEYJIHAY-GHMZBOCLSA-N 2 2 268.361 -0.996 20 0 CBADLP C[NH+]1CC[C@H](CC(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)C1 ZINC001015998256 657628575 /nfs/dbraw/zinc/62/85/75/657628575.db2.gz NCRJVIPEYJIHAY-GHMZBOCLSA-N 2 2 268.361 -0.996 20 0 CBADLP C[NH+]1CC[C@H](CC(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)C1 ZINC001015998256 657628581 /nfs/dbraw/zinc/62/85/81/657628581.db2.gz NCRJVIPEYJIHAY-GHMZBOCLSA-N 2 2 268.361 -0.996 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@@H+](C[C@@H](C)O)C1 ZINC001016106143 657641804 /nfs/dbraw/zinc/64/18/04/657641804.db2.gz JMCMBEXCHDRJTD-MWLCHTKSSA-N 2 2 266.345 -0.168 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@H+](C[C@@H](C)O)C1 ZINC001016106143 657641816 /nfs/dbraw/zinc/64/18/16/657641816.db2.gz JMCMBEXCHDRJTD-MWLCHTKSSA-N 2 2 266.345 -0.168 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001016261309 657675447 /nfs/dbraw/zinc/67/54/47/657675447.db2.gz XMUOAVADTZZHHE-RYUDHWBXSA-N 2 2 291.355 -0.729 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001016261309 657675457 /nfs/dbraw/zinc/67/54/57/657675457.db2.gz XMUOAVADTZZHHE-RYUDHWBXSA-N 2 2 291.355 -0.729 20 0 CBADLP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC(=O)NC)C1 ZINC001016340713 657694926 /nfs/dbraw/zinc/69/49/26/657694926.db2.gz YYLNPOFHVFLESM-OLZOCXBDSA-N 2 2 296.415 -0.203 20 0 CBADLP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC(=O)NC)C1 ZINC001016340713 657694935 /nfs/dbraw/zinc/69/49/35/657694935.db2.gz YYLNPOFHVFLESM-OLZOCXBDSA-N 2 2 296.415 -0.203 20 0 CBADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC(=O)NC)C1 ZINC001016340713 657694944 /nfs/dbraw/zinc/69/49/44/657694944.db2.gz YYLNPOFHVFLESM-OLZOCXBDSA-N 2 2 296.415 -0.203 20 0 CBADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001016340713 657694948 /nfs/dbraw/zinc/69/49/48/657694948.db2.gz YYLNPOFHVFLESM-OLZOCXBDSA-N 2 2 296.415 -0.203 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[N@H+](CCn2cncn2)C1 ZINC001016397859 657696921 /nfs/dbraw/zinc/69/69/21/657696921.db2.gz ORZLYRKLDPCUHG-LBPRGKRZSA-N 2 2 289.343 -0.635 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001016397859 657696929 /nfs/dbraw/zinc/69/69/29/657696929.db2.gz ORZLYRKLDPCUHG-LBPRGKRZSA-N 2 2 289.343 -0.635 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)NC[C@H]2CC[NH+]2C)CCO1 ZINC000915826962 657751792 /nfs/dbraw/zinc/75/17/92/657751792.db2.gz GCDKOEFWOYOKAJ-VXGBXAGGSA-N 2 2 270.377 -0.290 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)NC[C@H]2CC[NH+]2C)CCO1 ZINC000915826962 657751798 /nfs/dbraw/zinc/75/17/98/657751798.db2.gz GCDKOEFWOYOKAJ-VXGBXAGGSA-N 2 2 270.377 -0.290 20 0 CBADLP C[C@@H]1C[NH+](CCNC(=O)NC[C@H]2CC[N@@H+]2C)CCO1 ZINC000915826962 657751803 /nfs/dbraw/zinc/75/18/03/657751803.db2.gz GCDKOEFWOYOKAJ-VXGBXAGGSA-N 2 2 270.377 -0.290 20 0 CBADLP C[C@@H]1C[NH+](CCNC(=O)NC[C@H]2CC[N@H+]2C)CCO1 ZINC000915826962 657751811 /nfs/dbraw/zinc/75/18/11/657751811.db2.gz GCDKOEFWOYOKAJ-VXGBXAGGSA-N 2 2 270.377 -0.290 20 0 CBADLP C[C@@H]1[C@H](NC(=O)NC[C@H]2C[NH+](C)CCO2)CC[N@@H+]1C ZINC000916882179 657791396 /nfs/dbraw/zinc/79/13/96/657791396.db2.gz FQDBGFNWKXLQII-GRYCIOLGSA-N 2 2 270.377 -0.291 20 0 CBADLP C[C@@H]1[C@H](NC(=O)NC[C@H]2C[NH+](C)CCO2)CC[N@H+]1C ZINC000916882179 657791404 /nfs/dbraw/zinc/79/14/04/657791404.db2.gz FQDBGFNWKXLQII-GRYCIOLGSA-N 2 2 270.377 -0.291 20 0 CBADLP C[C@@H]1[C@H](NC(=O)NC[C@H]2C[N@H+](C)CCO2)CC[NH+]1C ZINC000916882179 657791407 /nfs/dbraw/zinc/79/14/07/657791407.db2.gz FQDBGFNWKXLQII-GRYCIOLGSA-N 2 2 270.377 -0.291 20 0 CBADLP C[C@@H]1[C@H](NC(=O)NC[C@H]2C[N@@H+](C)CCO2)CC[NH+]1C ZINC000916882179 657791414 /nfs/dbraw/zinc/79/14/14/657791414.db2.gz FQDBGFNWKXLQII-GRYCIOLGSA-N 2 2 270.377 -0.291 20 0 CBADLP C[N@@H+]1CC[C@@H]1CNC(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000916881988 657792038 /nfs/dbraw/zinc/79/20/38/657792038.db2.gz AKXRLDGEYWNENJ-MNOVXSKESA-N 2 2 256.350 -0.680 20 0 CBADLP C[N@H+]1CC[C@@H]1CNC(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000916881988 657792043 /nfs/dbraw/zinc/79/20/43/657792043.db2.gz AKXRLDGEYWNENJ-MNOVXSKESA-N 2 2 256.350 -0.680 20 0 CBADLP C[NH+]1CC[C@@H]1CNC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000916881988 657792049 /nfs/dbraw/zinc/79/20/49/657792049.db2.gz AKXRLDGEYWNENJ-MNOVXSKESA-N 2 2 256.350 -0.680 20 0 CBADLP C[NH+]1CC[C@@H]1CNC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000916881988 657792052 /nfs/dbraw/zinc/79/20/52/657792052.db2.gz AKXRLDGEYWNENJ-MNOVXSKESA-N 2 2 256.350 -0.680 20 0 CBADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NC[C@H]1CC[NH+]1C ZINC000917960249 657821213 /nfs/dbraw/zinc/82/12/13/657821213.db2.gz OTMIYMYOBRRELL-NEPJUHHUSA-N 2 2 269.393 -0.765 20 0 CBADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NC[C@H]1CC[NH+]1C ZINC000917960249 657821226 /nfs/dbraw/zinc/82/12/26/657821226.db2.gz OTMIYMYOBRRELL-NEPJUHHUSA-N 2 2 269.393 -0.765 20 0 CBADLP CN1CC[NH+](C)C[C@@H]1CNC(=O)NC[C@H]1CC[N@@H+]1C ZINC000917960249 657821228 /nfs/dbraw/zinc/82/12/28/657821228.db2.gz OTMIYMYOBRRELL-NEPJUHHUSA-N 2 2 269.393 -0.765 20 0 CBADLP CN1CC[NH+](C)C[C@@H]1CNC(=O)NC[C@H]1CC[N@H+]1C ZINC000917960249 657821232 /nfs/dbraw/zinc/82/12/32/657821232.db2.gz OTMIYMYOBRRELL-NEPJUHHUSA-N 2 2 269.393 -0.765 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]CCF)C2)C1 ZINC001018665317 657836473 /nfs/dbraw/zinc/83/64/73/657836473.db2.gz PVTQBTUBKPNIHL-WDEREUQCSA-N 2 2 259.325 -0.523 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]CCF)C2)C1 ZINC001018665317 657836477 /nfs/dbraw/zinc/83/64/77/657836477.db2.gz PVTQBTUBKPNIHL-WDEREUQCSA-N 2 2 259.325 -0.523 20 0 CBADLP CC[C@H]([NH2+][C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1)C(N)=O ZINC001018784985 657845061 /nfs/dbraw/zinc/84/50/61/657845061.db2.gz UITYADMGJBVDEQ-QWRGUYRKSA-N 2 2 293.371 -0.203 20 0 CBADLP O=C(CCc1[nH]cc[nH+]1)N1CC[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001018783760 657845088 /nfs/dbraw/zinc/84/50/88/657845088.db2.gz UNLNLKHSTZDTQD-QWRGUYRKSA-N 2 2 291.355 -0.579 20 0 CBADLP O=C(Cc1cn2c([nH+]1)CCCC2)N1CC[C@H]([NH2+]CCO)C1 ZINC001018876819 657850935 /nfs/dbraw/zinc/85/09/35/657850935.db2.gz JJGBHZDFLDTZKT-LBPRGKRZSA-N 2 2 292.383 -0.055 20 0 CBADLP NC(=O)C[NH2+][C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001018949557 657854811 /nfs/dbraw/zinc/85/48/11/657854811.db2.gz IYCYLTUPDUWPCL-JTQLQIEISA-N 2 2 265.317 -0.982 20 0 CBADLP NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001019056116 657860138 /nfs/dbraw/zinc/86/01/38/657860138.db2.gz KXQGPECVCWUTTF-QWRGUYRKSA-N 2 2 291.355 -0.879 20 0 CBADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCO)C1 ZINC001019192667 657869587 /nfs/dbraw/zinc/86/95/87/657869587.db2.gz LWZPWYKXQHKMNC-UONOGXRCSA-N 2 2 299.415 -0.330 20 0 CBADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCO)C1 ZINC001019192667 657869589 /nfs/dbraw/zinc/86/95/89/657869589.db2.gz LWZPWYKXQHKMNC-UONOGXRCSA-N 2 2 299.415 -0.330 20 0 CBADLP O=C(CCn1cc[nH+]c1)N1CC[C@H]([NH2+]CCO)C1 ZINC001019214238 657870871 /nfs/dbraw/zinc/87/08/71/657870871.db2.gz RRSKMYOQALOTMT-NSHDSACASA-N 2 2 252.318 -0.544 20 0 CBADLP C[C@@H](CNC(=O)NC[C@@H]1CC[N@@H+]1C)CN1CC[NH+](C)CC1 ZINC000920453110 657876494 /nfs/dbraw/zinc/87/64/94/657876494.db2.gz XRFGZMUGOHJROK-KBPBESRZSA-N 2 2 297.447 -0.127 20 0 CBADLP C[C@@H](CNC(=O)NC[C@@H]1CC[N@H+]1C)CN1CC[NH+](C)CC1 ZINC000920453110 657876500 /nfs/dbraw/zinc/87/65/00/657876500.db2.gz XRFGZMUGOHJROK-KBPBESRZSA-N 2 2 297.447 -0.127 20 0 CBADLP COCC[N@H+](C)CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000921048107 657884483 /nfs/dbraw/zinc/88/44/83/657884483.db2.gz KDGMGIRQCNXZTH-UHFFFAOYSA-N 2 2 284.360 -0.462 20 0 CBADLP COCC[N@@H+](C)CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000921048107 657884485 /nfs/dbraw/zinc/88/44/85/657884485.db2.gz KDGMGIRQCNXZTH-UHFFFAOYSA-N 2 2 284.360 -0.462 20 0 CBADLP C[C@@H](O)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001019438929 657894734 /nfs/dbraw/zinc/89/47/34/657894734.db2.gz WOLMSPXKUPVWDA-ZJUUUORDSA-N 2 2 252.318 -0.477 20 0 CBADLP CN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1=O ZINC001019436059 657895021 /nfs/dbraw/zinc/89/50/21/657895021.db2.gz RNDGNLBZSGQVLL-CMPLNLGQSA-N 2 2 291.355 -0.627 20 0 CBADLP C[NH+](C)C1(CS(=O)(=O)NC[C@H]2CC[N@@H+]2C)CC1 ZINC000921412690 657899099 /nfs/dbraw/zinc/89/90/99/657899099.db2.gz SWWFJUAHAOTYLX-SNVBAGLBSA-N 2 2 261.391 -0.296 20 0 CBADLP C[NH+](C)C1(CS(=O)(=O)NC[C@H]2CC[N@H+]2C)CC1 ZINC000921412690 657899104 /nfs/dbraw/zinc/89/91/04/657899104.db2.gz SWWFJUAHAOTYLX-SNVBAGLBSA-N 2 2 261.391 -0.296 20 0 CBADLP C[C@@H]([NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1)C(N)=O ZINC001019566114 657911960 /nfs/dbraw/zinc/91/19/60/657911960.db2.gz SGDFDIGJMYEORR-BDAKNGLRSA-N 2 2 265.317 -0.984 20 0 CBADLP CC[C@H]([NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1)C(N)=O ZINC001019566009 657912570 /nfs/dbraw/zinc/91/25/70/657912570.db2.gz NOBAHEFQEOFMLH-UWVGGRQHSA-N 2 2 279.344 -0.593 20 0 CBADLP C[C@H](NC(=O)NC[C@H]1CC[N@@H+]1C)[C@@H]1C[NH+](C)CCO1 ZINC000921553633 657920041 /nfs/dbraw/zinc/92/00/41/657920041.db2.gz KHWGXBVGOZBSKM-TUAOUCFPSA-N 2 2 270.377 -0.291 20 0 CBADLP C[C@H](NC(=O)NC[C@H]1CC[N@H+]1C)[C@@H]1C[NH+](C)CCO1 ZINC000921553633 657920050 /nfs/dbraw/zinc/92/00/50/657920050.db2.gz KHWGXBVGOZBSKM-TUAOUCFPSA-N 2 2 270.377 -0.291 20 0 CBADLP C[C@H](NC(=O)NC[C@H]1CC[NH+]1C)[C@@H]1C[N@H+](C)CCO1 ZINC000921553633 657920058 /nfs/dbraw/zinc/92/00/58/657920058.db2.gz KHWGXBVGOZBSKM-TUAOUCFPSA-N 2 2 270.377 -0.291 20 0 CBADLP C[C@H](NC(=O)NC[C@H]1CC[NH+]1C)[C@@H]1C[N@@H+](C)CCO1 ZINC000921553633 657920064 /nfs/dbraw/zinc/92/00/64/657920064.db2.gz KHWGXBVGOZBSKM-TUAOUCFPSA-N 2 2 270.377 -0.291 20 0 CBADLP O=C(N1CC[C@H]([NH2+]Cc2cnon2)C1)C12CC[NH+](CC1)C2 ZINC001019661267 657927418 /nfs/dbraw/zinc/92/74/18/657927418.db2.gz XAWYMFZXPVRJNJ-NSHDSACASA-N 2 2 291.355 -0.144 20 0 CBADLP C[C@@H]([NH2+][C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1)C(N)=O ZINC001019654780 657927498 /nfs/dbraw/zinc/92/74/98/657927498.db2.gz BNRUELXKUARCII-ZJUUUORDSA-N 2 2 279.344 -0.973 20 0 CBADLP CC[C@@H]([NH2+][C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1)C(N)=O ZINC001019653625 657927567 /nfs/dbraw/zinc/92/75/67/657927567.db2.gz OLDPVSUJWXICCY-CMPLNLGQSA-N 2 2 293.371 -0.583 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001019707554 657931626 /nfs/dbraw/zinc/93/16/26/657931626.db2.gz KOGDQEATIMOCAR-QWRGUYRKSA-N 2 2 291.355 -0.660 20 0 CBADLP C[C@@H](O)C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001019867616 657952418 /nfs/dbraw/zinc/95/24/18/657952418.db2.gz BAZHVLZANHDDIX-MNOVXSKESA-N 2 2 252.318 -0.546 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001019867859 657954495 /nfs/dbraw/zinc/95/44/95/657954495.db2.gz NGRXREQCZILWGV-RYUDHWBXSA-N 2 2 291.355 -0.648 20 0 CBADLP NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001020312293 658037275 /nfs/dbraw/zinc/03/72/75/658037275.db2.gz GGIBSYYYJLJQSH-GMTAPVOTSA-N 2 2 291.355 -0.832 20 0 CBADLP O=C(N[C@H]1C[C@H]([NH2+]CCO)C1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001020307859 658037378 /nfs/dbraw/zinc/03/73/78/658037378.db2.gz ULJJUIOJXAADPR-IJLUTSLNSA-N 2 2 278.356 -0.325 20 0 CBADLP Cc1[nH+]cc(C[NH2+]C[C@@]2(CO)COCCN2C)n1C ZINC000922533004 658053611 /nfs/dbraw/zinc/05/36/11/658053611.db2.gz JZCCGCZMLYDNAO-CYBMUJFWSA-N 2 2 268.361 -0.489 20 0 CBADLP Cn1nncc1C[NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001020635376 658081010 /nfs/dbraw/zinc/08/10/10/658081010.db2.gz UETYZTKMWKXKSP-MGCOHNPYSA-N 2 2 289.343 -0.482 20 0 CBADLP C[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001020637372 658081521 /nfs/dbraw/zinc/08/15/21/658081521.db2.gz UIAAPSVSUSNVAY-OPRDCNLKSA-N 2 2 252.318 -0.430 20 0 CBADLP CN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)C1=O ZINC001020819397 658094789 /nfs/dbraw/zinc/09/47/89/658094789.db2.gz XNGPBIMLRJQRQJ-GMTAPVOTSA-N 2 2 291.355 -0.580 20 0 CBADLP CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)C1)C(N)=O ZINC001020930508 658118922 /nfs/dbraw/zinc/11/89/22/658118922.db2.gz WEDWVIJYQPOUKZ-CKYFFXLPSA-N 2 2 293.371 -0.537 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H]([NH2+]CCO)C1 ZINC001020928170 658121007 /nfs/dbraw/zinc/12/10/07/658121007.db2.gz WZLYZBZLTRUKQM-MGCOHNPYSA-N 2 2 252.318 -0.808 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001020980296 658123587 /nfs/dbraw/zinc/12/35/87/658123587.db2.gz DHVYIPTYCNQKOJ-GUBZILKMSA-N 2 2 279.344 -0.629 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@H]([NH2+]C[C@@H](C)O)C1 ZINC001020980703 658124319 /nfs/dbraw/zinc/12/43/19/658124319.db2.gz RSPKIMYOZPXYCX-FBIMIBRVSA-N 2 2 266.345 -0.122 20 0 CBADLP O[C@@H](COC[C@@H]1CCCO1)C[N@@H+]1CCC[NH2+]CC1 ZINC000923278220 658188827 /nfs/dbraw/zinc/18/88/27/658188827.db2.gz RCWWEQAFYGQQCJ-OLZOCXBDSA-N 2 2 258.362 -0.162 20 0 CBADLP O[C@@H](COC[C@@H]1CCCO1)C[N@H+]1CCC[NH2+]CC1 ZINC000923278220 658188852 /nfs/dbraw/zinc/18/88/52/658188852.db2.gz RCWWEQAFYGQQCJ-OLZOCXBDSA-N 2 2 258.362 -0.162 20 0 CBADLP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)C1 ZINC000923318135 658212440 /nfs/dbraw/zinc/21/24/40/658212440.db2.gz IHSWWSVNEDOHPQ-PJSNJIKXSA-N 2 2 256.346 -0.283 20 0 CBADLP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)C1 ZINC000923318135 658212470 /nfs/dbraw/zinc/21/24/70/658212470.db2.gz IHSWWSVNEDOHPQ-PJSNJIKXSA-N 2 2 256.346 -0.283 20 0 CBADLP CCOC[C@@H](O)C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000923331726 658214778 /nfs/dbraw/zinc/21/47/78/658214778.db2.gz FQJDQMNVWSMCKM-STQMWFEESA-N 2 2 285.388 -0.720 20 0 CBADLP CCOC[C@@H](O)C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000923331726 658214800 /nfs/dbraw/zinc/21/48/00/658214800.db2.gz FQJDQMNVWSMCKM-STQMWFEESA-N 2 2 285.388 -0.720 20 0 CBADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](CCO[C@H]2CCOC2)C1 ZINC000923333696 658217759 /nfs/dbraw/zinc/21/77/59/658217759.db2.gz RRTLMVKDJGUTQV-KGLIPLIRSA-N 2 2 297.399 -0.312 20 0 CBADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](CCO[C@H]2CCOC2)C1 ZINC000923333696 658217776 /nfs/dbraw/zinc/21/77/76/658217776.db2.gz RRTLMVKDJGUTQV-KGLIPLIRSA-N 2 2 297.399 -0.312 20 0 CBADLP CC(C)OC[C@@H](O)C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000923334995 658222353 /nfs/dbraw/zinc/22/23/53/658222353.db2.gz ZLVXQHCDRZLYOQ-KGLIPLIRSA-N 2 2 299.415 -0.332 20 0 CBADLP CC(C)OC[C@@H](O)C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000923334995 658222367 /nfs/dbraw/zinc/22/23/67/658222367.db2.gz ZLVXQHCDRZLYOQ-KGLIPLIRSA-N 2 2 299.415 -0.332 20 0 CBADLP CC(C)OC[C@@H](O)C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000923334991 658222862 /nfs/dbraw/zinc/22/28/62/658222862.db2.gz ZLVXQHCDRZLYOQ-KBPBESRZSA-N 2 2 299.415 -0.332 20 0 CBADLP CC(C)OC[C@@H](O)C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000923334991 658222876 /nfs/dbraw/zinc/22/28/76/658222876.db2.gz ZLVXQHCDRZLYOQ-KBPBESRZSA-N 2 2 299.415 -0.332 20 0 CBADLP C[C@@H]1C[N@@H+](CCN(C)[C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@H](C)O1 ZINC000923372936 658241901 /nfs/dbraw/zinc/24/19/01/658241901.db2.gz KPMIQZBFENFURA-NDKCEZKHSA-N 2 2 271.405 -0.122 20 0 CBADLP C[C@@H]1C[N@H+](CCN(C)[C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@H](C)O1 ZINC000923372936 658241943 /nfs/dbraw/zinc/24/19/43/658241943.db2.gz KPMIQZBFENFURA-NDKCEZKHSA-N 2 2 271.405 -0.122 20 0 CBADLP COCCOC[C@H](O)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000923397780 658256600 /nfs/dbraw/zinc/25/66/00/658256600.db2.gz DVTOHNFADFNMCH-VXGBXAGGSA-N 2 2 258.362 -0.116 20 0 CBADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1C[C@H](O)COC[C@@H]1CCCO1 ZINC000923412572 658265850 /nfs/dbraw/zinc/26/58/50/658265850.db2.gz JIARJKBYGMFWIB-VOAKCMCISA-N 2 2 258.362 -0.036 20 0 CBADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1C[C@H](O)COC[C@@H]1CCCO1 ZINC000923412572 658265873 /nfs/dbraw/zinc/26/58/73/658265873.db2.gz JIARJKBYGMFWIB-VOAKCMCISA-N 2 2 258.362 -0.036 20 0 CBADLP CC(C)[C@@H](C)[NH+]1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923436020 658280483 /nfs/dbraw/zinc/28/04/83/658280483.db2.gz BDCFGQVLPIYZJJ-LLVKDONJSA-N 2 2 275.418 -0.050 20 0 CBADLP CC(C)[C@H](C)[NH+]1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923436023 658281081 /nfs/dbraw/zinc/28/10/81/658281081.db2.gz BDCFGQVLPIYZJJ-NSHDSACASA-N 2 2 275.418 -0.050 20 0 CBADLP CCCCNC(=O)CCN1CC[NH2+]CC[NH2+]CC1 ZINC000923463817 658295519 /nfs/dbraw/zinc/29/55/19/658295519.db2.gz VYYFCZFIMOZINL-UHFFFAOYSA-N 2 2 256.394 -0.212 20 0 CBADLP C[C@@H]1C[N@H+](C[C@@H](O)COC[C@@H]2CCCO2)C[C@H]1[NH3+] ZINC000923508123 658310482 /nfs/dbraw/zinc/31/04/82/658310482.db2.gz HSWCLYSFUZSWME-FVCCEPFGSA-N 2 2 258.362 -0.178 20 0 CBADLP C[C@@H]1C[N@@H+](C[C@@H](O)COC[C@@H]2CCCO2)C[C@H]1[NH3+] ZINC000923508123 658310493 /nfs/dbraw/zinc/31/04/93/658310493.db2.gz HSWCLYSFUZSWME-FVCCEPFGSA-N 2 2 258.362 -0.178 20 0 CBADLP CCOCCNC(=O)C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518519 658313459 /nfs/dbraw/zinc/31/34/59/658313459.db2.gz MKFWGDDKOCTPPN-NWDGAFQWSA-N 2 2 255.362 -0.320 20 0 CBADLP CCOCCNC(=O)C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518519 658313470 /nfs/dbraw/zinc/31/34/70/658313470.db2.gz MKFWGDDKOCTPPN-NWDGAFQWSA-N 2 2 255.362 -0.320 20 0 CBADLP Cc1[nH+]c2n(c1C)CCN(S(=O)(=O)N1CC[NH2+]CC1)C2 ZINC000923613679 658352720 /nfs/dbraw/zinc/35/27/20/658352720.db2.gz RZDJVIBTHLDBRW-UHFFFAOYSA-N 2 2 299.400 -0.534 20 0 CBADLP O=S(=O)(NCc1ccn2cc[nH+]c2c1)N1CC[NH2+]CC1 ZINC000923627830 658362903 /nfs/dbraw/zinc/36/29/03/658362903.db2.gz JQMRTBHDSYUFJD-UHFFFAOYSA-N 2 2 295.368 -0.426 20 0 CBADLP O=S(=O)(N[C@H]1CCN(c2cccc[nH+]2)C1)C1C[NH2+]C1 ZINC000923630326 658364655 /nfs/dbraw/zinc/36/46/55/658364655.db2.gz VOPLFJMIFUJKHT-JTQLQIEISA-N 2 2 282.369 -0.449 20 0 CBADLP [NH3+]CC(F)(F)CNS(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923635514 658367043 /nfs/dbraw/zinc/36/70/43/658367043.db2.gz TYVHATRIOAYVJZ-ZETCQYMHSA-N 2 2 257.306 -0.748 20 0 CBADLP C[C@@H]1CCCN1S(=O)(=O)N1CC[NH2+]CC[NH2+]CC1 ZINC000923692668 658399330 /nfs/dbraw/zinc/39/93/30/658399330.db2.gz RYZYVMPSYQKCTF-LLVKDONJSA-N 2 2 276.406 -0.790 20 0 CBADLP CC(C)C[C@H]1C[N@@H+](C)CCN1S(=O)(=O)C1C[NH2+]C1 ZINC000923749142 658444152 /nfs/dbraw/zinc/44/41/52/658444152.db2.gz WRXNXTJQPLFVCB-NSHDSACASA-N 2 2 275.418 -0.050 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[NH+](CCCO)CC1 ZINC000957667414 658485429 /nfs/dbraw/zinc/48/54/29/658485429.db2.gz AUAZIXPEMCJVFI-AWEZNQCLSA-N 2 2 299.415 -0.519 20 0 CBADLP C[C@H](CN1C(=O)N[C@@H](C[NH+](C)C)C1=O)[NH+]1CCOCC1 ZINC000924472241 658602692 /nfs/dbraw/zinc/60/26/92/658602692.db2.gz MDQVMCFVRGKLNR-MNOVXSKESA-N 2 2 284.360 -0.811 20 0 CBADLP COCC[N@H+](C)CCC[NH2+][C@H]1C(=O)NCC12CCOCC2 ZINC000924654954 658628062 /nfs/dbraw/zinc/62/80/62/658628062.db2.gz XIBMYSVHSIAFLO-ZDUSSCGKSA-N 2 2 299.415 -0.161 20 0 CBADLP COCC[N@@H+](C)CCC[NH2+][C@H]1C(=O)NCC12CCOCC2 ZINC000924654954 658628071 /nfs/dbraw/zinc/62/80/71/658628071.db2.gz XIBMYSVHSIAFLO-ZDUSSCGKSA-N 2 2 299.415 -0.161 20 0 CBADLP CC1(C)CNC(=O)[C@@H]1[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000924967699 658675426 /nfs/dbraw/zinc/67/54/26/658675426.db2.gz YFQWWBOJOUHFJG-SRVKXCTJSA-N 2 2 267.373 -0.036 20 0 CBADLP CC1(C)CNC(=O)[C@@H]1[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000924967699 658675429 /nfs/dbraw/zinc/67/54/29/658675429.db2.gz YFQWWBOJOUHFJG-SRVKXCTJSA-N 2 2 267.373 -0.036 20 0 CBADLP C/C(=C/C(=O)NC[C@@H]1C[C@H](O)C[N@H+]1C)C[NH+]1CCOCC1 ZINC000924976492 658678232 /nfs/dbraw/zinc/67/82/32/658678232.db2.gz MBPROGUUDQVOKR-OBFMZJQYSA-N 2 2 297.399 -0.554 20 0 CBADLP C/C(=C/C(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1C)C[NH+]1CCOCC1 ZINC000924976492 658678242 /nfs/dbraw/zinc/67/82/42/658678242.db2.gz MBPROGUUDQVOKR-OBFMZJQYSA-N 2 2 297.399 -0.554 20 0 CBADLP O=C(N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21)[C@H]1CCn2cc[nH+]c2C1 ZINC000960653713 658805753 /nfs/dbraw/zinc/80/57/53/658805753.db2.gz DSGUSXUNGACKHX-CIQGVGRVSA-N 2 2 290.367 -0.516 20 0 CBADLP O=C(N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21)[C@H]1CCn2cc[nH+]c2C1 ZINC000960653713 658805760 /nfs/dbraw/zinc/80/57/60/658805760.db2.gz DSGUSXUNGACKHX-CIQGVGRVSA-N 2 2 290.367 -0.516 20 0 CBADLP O=C(N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21)c1cccc2[nH+]ccn21 ZINC000961058086 658810533 /nfs/dbraw/zinc/81/05/33/658810533.db2.gz HMFXECBELIPAQP-YABSGUDNSA-N 2 2 286.335 -0.013 20 0 CBADLP O=C(N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21)c1cccc2[nH+]ccn21 ZINC000961058086 658810538 /nfs/dbraw/zinc/81/05/38/658810538.db2.gz HMFXECBELIPAQP-YABSGUDNSA-N 2 2 286.335 -0.013 20 0 CBADLP C[NH+](C)C[C@@H]1NC(=O)N(CC[N@@H+]2CCOC(C)(C)C2)C1=O ZINC000925293297 658818151 /nfs/dbraw/zinc/81/81/51/658818151.db2.gz KVWLRBICPWSPEU-NSHDSACASA-N 2 2 298.387 -0.421 20 0 CBADLP C[NH+](C)C[C@@H]1NC(=O)N(CC[N@H+]2CCOC(C)(C)C2)C1=O ZINC000925293297 658818154 /nfs/dbraw/zinc/81/81/54/658818154.db2.gz KVWLRBICPWSPEU-NSHDSACASA-N 2 2 298.387 -0.421 20 0 CBADLP CC[C@H](O)C[NH+]1CCN(C(=O)NC[C@H]2CC[N@@H+]2C)CC1 ZINC000925412639 658841493 /nfs/dbraw/zinc/84/14/93/658841493.db2.gz BZJHSYCXALVHOU-OLZOCXBDSA-N 2 2 284.404 -0.211 20 0 CBADLP CC[C@H](O)C[NH+]1CCN(C(=O)NC[C@H]2CC[N@H+]2C)CC1 ZINC000925412639 658841494 /nfs/dbraw/zinc/84/14/94/658841494.db2.gz BZJHSYCXALVHOU-OLZOCXBDSA-N 2 2 284.404 -0.211 20 0 CBADLP C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@@H]2CC[NH+]2C)C[C@@H]1C ZINC000925415968 658842598 /nfs/dbraw/zinc/84/25/98/658842598.db2.gz BGHOZBXTRLULRW-AVGNSLFASA-N 2 2 284.404 -0.213 20 0 CBADLP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@@H]2CC[NH+]2C)C[C@@H]1C ZINC000925415968 658842601 /nfs/dbraw/zinc/84/26/01/658842601.db2.gz BGHOZBXTRLULRW-AVGNSLFASA-N 2 2 284.404 -0.213 20 0 CBADLP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2CC[N@@H+]2C)C[C@@H]1C ZINC000925415968 658842602 /nfs/dbraw/zinc/84/26/02/658842602.db2.gz BGHOZBXTRLULRW-AVGNSLFASA-N 2 2 284.404 -0.213 20 0 CBADLP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2CC[N@H+]2C)C[C@@H]1C ZINC000925415968 658842604 /nfs/dbraw/zinc/84/26/04/658842604.db2.gz BGHOZBXTRLULRW-AVGNSLFASA-N 2 2 284.404 -0.213 20 0 CBADLP C[NH+]1CC[C@H]1CNC(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000925426680 658847405 /nfs/dbraw/zinc/84/74/05/658847405.db2.gz WVHNHSMNDMWWPU-LBPRGKRZSA-N 2 2 284.404 -0.211 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)C(N)=O)C[C@H]21 ZINC000962579469 658858034 /nfs/dbraw/zinc/85/80/34/658858034.db2.gz RSNCTGWKYVRVIG-MVVXRAEJSA-N 2 2 291.355 -0.888 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)C(N)=O)C[C@H]21 ZINC000962579469 658858039 /nfs/dbraw/zinc/85/80/39/658858039.db2.gz RSNCTGWKYVRVIG-MVVXRAEJSA-N 2 2 291.355 -0.888 20 0 CBADLP CCCNC(=O)C[NH+]1CCC(N[C@@H]2C[NH2+]CCOC2)CC1 ZINC000925544645 658858555 /nfs/dbraw/zinc/85/85/55/658858555.db2.gz UAMCTVQJDOKRCI-CQSZACIVSA-N 2 2 298.431 -0.445 20 0 CBADLP CC1(C)[NH2+]CC[C@H]1[NH2+]CCOCCS(C)(=O)=O ZINC000925575593 658859975 /nfs/dbraw/zinc/85/99/75/658859975.db2.gz RVVVGMQTOIQWEI-SNVBAGLBSA-N 2 2 264.391 -0.222 20 0 CBADLP CC(C)[C@H](CN[C@@H]1C[NH2+]CCOC1)N1CC[NH+](C)CC1 ZINC000925605483 658862173 /nfs/dbraw/zinc/86/21/73/658862173.db2.gz GPSMMIDFLMCSJN-CABCVRRESA-N 2 2 284.448 -0.164 20 0 CBADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCNC(=O)c1ccn[nH]1 ZINC000925631498 658863467 /nfs/dbraw/zinc/86/34/67/658863467.db2.gz HLTUEAUWYUUXLD-JTQLQIEISA-N 2 2 251.334 -0.130 20 0 CBADLP COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925724722 658867738 /nfs/dbraw/zinc/86/77/38/658867738.db2.gz CSCUBJXHFZAQNX-UJPLBGJFSA-N 2 2 295.383 -0.361 20 0 CBADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@]12COC(=O)N1CCOC2 ZINC000925732978 658868530 /nfs/dbraw/zinc/86/85/30/658868530.db2.gz HZIOJEBOTPRAEU-LOWVWBTDSA-N 2 2 269.345 -0.062 20 0 CBADLP O=C1COC[C@@]2(C[NH2+][C@@H]3CC[NH2+]C34CCC4)COCCN12 ZINC000925728391 658869041 /nfs/dbraw/zinc/86/90/41/658869041.db2.gz UESRQCJAYUIRDS-TZMCWYRMSA-N 2 2 295.383 -0.512 20 0 CBADLP CS(=O)(=O)[C@H]1C[C@H]([NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000925772310 658870998 /nfs/dbraw/zinc/87/09/98/658870998.db2.gz RDJWEUIYRZGODO-FDYHWXHSSA-N 2 2 288.413 -0.081 20 0 CBADLP CN(C)S(=O)(=O)C1(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CC1 ZINC000925775263 658871018 /nfs/dbraw/zinc/87/10/18/658871018.db2.gz PFQXGPQZTMGVKN-OBPIAQAESA-N 2 2 299.440 -0.004 20 0 CBADLP CS(=O)(=O)[C@H]1C[C@H]([NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000925772305 658871250 /nfs/dbraw/zinc/87/12/50/658871250.db2.gz RDJWEUIYRZGODO-CYDGBPFRSA-N 2 2 288.413 -0.081 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[C@@H](C[NH3+])[C@@H](C)C2)CC1 ZINC000926282939 658889891 /nfs/dbraw/zinc/88/98/91/658889891.db2.gz ZAFSNXLWTYTIKZ-STQMWFEESA-N 2 2 296.415 -0.406 20 0 CBADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C)CC2)CC[C@@H]1C[NH3+] ZINC000926417073 658899071 /nfs/dbraw/zinc/89/90/71/658899071.db2.gz WJFJKIFVIBNTQM-VXGBXAGGSA-N 2 2 282.388 -0.796 20 0 CBADLP C[C@H]([NH2+][C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1)C(N)=O ZINC000968534402 658931399 /nfs/dbraw/zinc/93/13/99/658931399.db2.gz FLMFXBWVHBHUGG-VHSXEESVSA-N 2 2 279.344 -0.593 20 0 CBADLP C[C@@H]1CC[N@H+](CCO)C[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000968702673 658939290 /nfs/dbraw/zinc/93/92/90/658939290.db2.gz OFNLLQLANKKJMT-NEPJUHHUSA-N 2 2 266.345 -0.298 20 0 CBADLP NC(=O)C[NH2+][C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000968877033 658942559 /nfs/dbraw/zinc/94/25/59/658942559.db2.gz IYCYLTUPDUWPCL-SNVBAGLBSA-N 2 2 265.317 -0.982 20 0 CBADLP Cn1nncc1C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000970103696 659035259 /nfs/dbraw/zinc/03/52/59/659035259.db2.gz SPFVPZADDJXCMP-SNVBAGLBSA-N 2 2 289.343 -0.529 20 0 CBADLP C[C@H](C(=O)NC[C@H]1CC[N@@H+]1C)N1CC[NH+](C)CC1 ZINC000928564290 659046522 /nfs/dbraw/zinc/04/65/22/659046522.db2.gz UPJYOOXATQRGFX-VXGBXAGGSA-N 2 2 254.378 -0.557 20 0 CBADLP C[C@H](C(=O)NC[C@H]1CC[N@H+]1C)N1CC[NH+](C)CC1 ZINC000928564290 659046526 /nfs/dbraw/zinc/04/65/26/659046526.db2.gz UPJYOOXATQRGFX-VXGBXAGGSA-N 2 2 254.378 -0.557 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC000970579771 659061758 /nfs/dbraw/zinc/06/17/58/659061758.db2.gz KOGDQEATIMOCAR-GHMZBOCLSA-N 2 2 291.355 -0.660 20 0 CBADLP C[NH+](C)CC(=O)N1CC[NH+](C[C@@H]2C[C@H]3COC[C@H]3O2)CC1 ZINC000929258730 659107872 /nfs/dbraw/zinc/10/78/72/659107872.db2.gz CKKXDWYJGUKJNF-MELADBBJSA-N 2 2 297.399 -0.504 20 0 CBADLP C[C@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000972723494 659125804 /nfs/dbraw/zinc/12/58/04/659125804.db2.gz KYSZONFZMFHPAJ-NWDGAFQWSA-N 2 2 280.372 -0.124 20 0 CBADLP C[C@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000972723494 659125809 /nfs/dbraw/zinc/12/58/09/659125809.db2.gz KYSZONFZMFHPAJ-NWDGAFQWSA-N 2 2 280.372 -0.124 20 0 CBADLP C[C@H](O)C[N@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000972723495 659127099 /nfs/dbraw/zinc/12/70/99/659127099.db2.gz KYSZONFZMFHPAJ-RYUDHWBXSA-N 2 2 280.372 -0.124 20 0 CBADLP C[C@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000972723495 659127105 /nfs/dbraw/zinc/12/71/05/659127105.db2.gz KYSZONFZMFHPAJ-RYUDHWBXSA-N 2 2 280.372 -0.124 20 0 CBADLP C[C@@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000972723496 659127505 /nfs/dbraw/zinc/12/75/05/659127505.db2.gz KYSZONFZMFHPAJ-VXGBXAGGSA-N 2 2 280.372 -0.124 20 0 CBADLP C[C@@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000972723496 659127512 /nfs/dbraw/zinc/12/75/12/659127512.db2.gz KYSZONFZMFHPAJ-VXGBXAGGSA-N 2 2 280.372 -0.124 20 0 CBADLP CC[NH+](CC)CC(=O)N1CC[NH+](C[C@H](O)[C@H](C)O)CC1 ZINC000929516695 659137000 /nfs/dbraw/zinc/13/70/00/659137000.db2.gz BWQXJYAMTUFIGC-STQMWFEESA-N 2 2 287.404 -0.786 20 0 CBADLP COc1cc[nH+]c(N2CC[NH+](C[C@@H](O)[C@@H](C)O)CC2)c1 ZINC000929526063 659137271 /nfs/dbraw/zinc/13/72/71/659137271.db2.gz IPQLWMVPOIZDTH-DGCLKSJQSA-N 2 2 281.356 -0.046 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@H]1C[N@H+](CC(N)=O)CC1(C)C ZINC000974845494 659173447 /nfs/dbraw/zinc/17/34/47/659173447.db2.gz TWXYSAOWBIYYTD-NSHDSACASA-N 2 2 293.371 -0.497 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@H]1C[N@@H+](CC(N)=O)CC1(C)C ZINC000974845494 659173451 /nfs/dbraw/zinc/17/34/51/659173451.db2.gz TWXYSAOWBIYYTD-NSHDSACASA-N 2 2 293.371 -0.497 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]([N@H+](C)CCO)C1 ZINC000980272695 659266341 /nfs/dbraw/zinc/26/63/41/659266341.db2.gz ZUYZVWCTXDFBCD-NSHDSACASA-N 2 2 266.345 -0.214 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]([N@@H+](C)CCO)C1 ZINC000980272695 659266364 /nfs/dbraw/zinc/26/63/64/659266364.db2.gz ZUYZVWCTXDFBCD-NSHDSACASA-N 2 2 266.345 -0.214 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N1CC[C@H]([N@H+](C)CC(N)=O)C1 ZINC000980407816 659270265 /nfs/dbraw/zinc/27/02/65/659270265.db2.gz DVZRUNIVXWFHHU-NSHDSACASA-N 2 2 279.344 -0.790 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N1CC[C@H]([N@@H+](C)CC(N)=O)C1 ZINC000980407816 659270279 /nfs/dbraw/zinc/27/02/79/659270279.db2.gz DVZRUNIVXWFHHU-NSHDSACASA-N 2 2 279.344 -0.790 20 0 CBADLP C[C@@H](C(N)=O)[N@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000980538437 659272978 /nfs/dbraw/zinc/27/29/78/659272978.db2.gz GRUFDCQYIUNWQX-QWRGUYRKSA-N 2 2 279.344 -0.710 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000980538437 659272987 /nfs/dbraw/zinc/27/29/87/659272987.db2.gz GRUFDCQYIUNWQX-QWRGUYRKSA-N 2 2 279.344 -0.710 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000981194171 659311077 /nfs/dbraw/zinc/31/10/77/659311077.db2.gz MJNQKXXHGMVVPC-FRRDWIJNSA-N 2 2 296.415 -0.265 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000981194171 659311083 /nfs/dbraw/zinc/31/10/83/659311083.db2.gz MJNQKXXHGMVVPC-FRRDWIJNSA-N 2 2 296.415 -0.265 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000981194171 659311088 /nfs/dbraw/zinc/31/10/88/659311088.db2.gz MJNQKXXHGMVVPC-FRRDWIJNSA-N 2 2 296.415 -0.265 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000981194171 659311090 /nfs/dbraw/zinc/31/10/90/659311090.db2.gz MJNQKXXHGMVVPC-FRRDWIJNSA-N 2 2 296.415 -0.265 20 0 CBADLP NC(=O)C[NH2+][C@@H]1CCC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000981353133 659316223 /nfs/dbraw/zinc/31/62/23/659316223.db2.gz HALNNPNUHFYOBZ-NXEZZACHSA-N 2 2 279.344 -0.546 20 0 CBADLP NC(=O)C[NH2+][C@@H]1CCC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000981417645 659317200 /nfs/dbraw/zinc/31/72/00/659317200.db2.gz MCTUIVYMZADGPF-ZJUUUORDSA-N 2 2 279.344 -0.546 20 0 CBADLP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCC[N@@H+](CCO)CC1 ZINC000981473464 659319040 /nfs/dbraw/zinc/31/90/40/659319040.db2.gz DCQPXGCQVKQDIS-CYBMUJFWSA-N 2 2 292.383 -0.028 20 0 CBADLP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCC[N@H+](CCO)CC1 ZINC000981473464 659319046 /nfs/dbraw/zinc/31/90/46/659319046.db2.gz DCQPXGCQVKQDIS-CYBMUJFWSA-N 2 2 292.383 -0.028 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCC[C@H]([NH2+]CCO)C1 ZINC000981462701 659319670 /nfs/dbraw/zinc/31/96/70/659319670.db2.gz YTURMJNLSZBQSS-NWDGAFQWSA-N 2 2 280.372 -0.028 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N1CCC[N@@H+]([C@@H](C)C(N)=O)CC1 ZINC000981624727 659324378 /nfs/dbraw/zinc/32/43/78/659324378.db2.gz FQWRDIVFZPPINE-LBPRGKRZSA-N 2 2 293.371 -0.400 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N1CCC[N@H+]([C@@H](C)C(N)=O)CC1 ZINC000981624727 659324382 /nfs/dbraw/zinc/32/43/82/659324382.db2.gz FQWRDIVFZPPINE-LBPRGKRZSA-N 2 2 293.371 -0.400 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CCCN(C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC000981953486 659337386 /nfs/dbraw/zinc/33/73/86/659337386.db2.gz OFRMDOWLJBDFBV-QWHCGFSZSA-N 2 2 296.415 -0.121 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CCCN(C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC000981953486 659337390 /nfs/dbraw/zinc/33/73/90/659337390.db2.gz OFRMDOWLJBDFBV-QWHCGFSZSA-N 2 2 296.415 -0.121 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CCCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC000981953486 659337392 /nfs/dbraw/zinc/33/73/92/659337392.db2.gz OFRMDOWLJBDFBV-QWHCGFSZSA-N 2 2 296.415 -0.121 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CCCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC000981953486 659337397 /nfs/dbraw/zinc/33/73/97/659337397.db2.gz OFRMDOWLJBDFBV-QWHCGFSZSA-N 2 2 296.415 -0.121 20 0 CBADLP C[C@H](C(N)=O)[N@H+](C)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000985674346 659395164 /nfs/dbraw/zinc/39/51/64/659395164.db2.gz AAFROPKXTDLLOM-SNVBAGLBSA-N 2 2 293.371 -0.251 20 0 CBADLP C[C@H](C(N)=O)[N@@H+](C)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000985674346 659395169 /nfs/dbraw/zinc/39/51/69/659395169.db2.gz AAFROPKXTDLLOM-SNVBAGLBSA-N 2 2 293.371 -0.251 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC([N@H+](C)CC(N)=O)CC1 ZINC000985771639 659396414 /nfs/dbraw/zinc/39/64/14/659396414.db2.gz GRADNNGQRJKWFY-UHFFFAOYSA-N 2 2 293.371 -0.331 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC([N@@H+](C)CC(N)=O)CC1 ZINC000985771639 659396422 /nfs/dbraw/zinc/39/64/22/659396422.db2.gz GRADNNGQRJKWFY-UHFFFAOYSA-N 2 2 293.371 -0.331 20 0 CBADLP Cn1nnnc1CC[NH+]1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931283628 659426823 /nfs/dbraw/zinc/42/68/23/659426823.db2.gz DVPPTZVQVIRAGL-UHFFFAOYSA-N 2 2 294.403 -0.061 20 0 CBADLP Cn1nnnc1CC[NH+]1CCC([N@H+]2CCCOCC2)CC1 ZINC000931283628 659426830 /nfs/dbraw/zinc/42/68/30/659426830.db2.gz DVPPTZVQVIRAGL-UHFFFAOYSA-N 2 2 294.403 -0.061 20 0 CBADLP C[NH+]1C[C@@]2(C)C[NH+](CCN3C(=O)CNC3=O)C[C@]2(C)C1 ZINC000931305823 659427031 /nfs/dbraw/zinc/42/70/31/659427031.db2.gz HPMOKXIPLOYUEM-KBPBESRZSA-N 2 2 280.372 -0.188 20 0 CBADLP Cn1nnnc1CC[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931516126 659478896 /nfs/dbraw/zinc/47/88/96/659478896.db2.gz HSXBKUVBEVRZFQ-UHFFFAOYSA-N 2 2 259.317 -0.212 20 0 CBADLP Cn1nnnc1CC[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931516126 659478916 /nfs/dbraw/zinc/47/89/16/659478916.db2.gz HSXBKUVBEVRZFQ-UHFFFAOYSA-N 2 2 259.317 -0.212 20 0 CBADLP C[C@H]1[C@H]([NH2+]CC(N)=O)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000987260642 659499229 /nfs/dbraw/zinc/49/92/29/659499229.db2.gz NRDDYYYCUAEXPI-DTWKUNHWSA-N 2 2 265.317 -0.984 20 0 CBADLP COC1(OC)CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C[C@@H]1O ZINC000931640799 659501179 /nfs/dbraw/zinc/50/11/79/659501179.db2.gz KGNRJALNCGJQSA-STQMWFEESA-N 2 2 288.388 -0.501 20 0 CBADLP COC1(OC)CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C[C@@H]1O ZINC000931640799 659501185 /nfs/dbraw/zinc/50/11/85/659501185.db2.gz KGNRJALNCGJQSA-STQMWFEESA-N 2 2 288.388 -0.501 20 0 CBADLP C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000931872793 659535386 /nfs/dbraw/zinc/53/53/86/659535386.db2.gz QWYHXYKKSLYIQO-CYBMUJFWSA-N 2 2 294.399 -0.639 20 0 CBADLP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000931872793 659535398 /nfs/dbraw/zinc/53/53/98/659535398.db2.gz QWYHXYKKSLYIQO-CYBMUJFWSA-N 2 2 294.399 -0.639 20 0 CBADLP C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[NH+](C)C1 ZINC000931873378 659535759 /nfs/dbraw/zinc/53/57/59/659535759.db2.gz LUTRJURQPABPJN-WDEREUQCSA-N 2 2 268.361 -0.983 20 0 CBADLP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[NH+](C)C1 ZINC000931873378 659535773 /nfs/dbraw/zinc/53/57/73/659535773.db2.gz LUTRJURQPABPJN-WDEREUQCSA-N 2 2 268.361 -0.983 20 0 CBADLP C[NH+]1CC[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000931873378 659535787 /nfs/dbraw/zinc/53/57/87/659535787.db2.gz LUTRJURQPABPJN-WDEREUQCSA-N 2 2 268.361 -0.983 20 0 CBADLP C[NH+]1CC[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000931873378 659535798 /nfs/dbraw/zinc/53/57/98/659535798.db2.gz LUTRJURQPABPJN-WDEREUQCSA-N 2 2 268.361 -0.983 20 0 CBADLP C[C@H]1C[C@@H]([NH2+]CC(N)=O)CN1C(=O)CCc1[nH]cc[nH+]1 ZINC000988746860 659554452 /nfs/dbraw/zinc/55/44/52/659554452.db2.gz XHKSNKIOVFFJQA-VHSXEESVSA-N 2 2 279.344 -0.593 20 0 CBADLP CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)NC[C@H]1CC[NH+]1C ZINC000931888258 659554978 /nfs/dbraw/zinc/55/49/78/659554978.db2.gz FCEVZAPWYYVCNK-MNOVXSKESA-N 2 2 268.361 -0.983 20 0 CBADLP CC[N@H+]1CC[C@H]1CNC(=O)C(=O)NC[C@H]1CC[NH+]1C ZINC000931888258 659554985 /nfs/dbraw/zinc/55/49/85/659554985.db2.gz FCEVZAPWYYVCNK-MNOVXSKESA-N 2 2 268.361 -0.983 20 0 CBADLP CC[NH+]1CC[C@H]1CNC(=O)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000931888258 659554991 /nfs/dbraw/zinc/55/49/91/659554991.db2.gz FCEVZAPWYYVCNK-MNOVXSKESA-N 2 2 268.361 -0.983 20 0 CBADLP CC[NH+]1CC[C@H]1CNC(=O)C(=O)NC[C@H]1CC[N@H+]1C ZINC000931888258 659554995 /nfs/dbraw/zinc/55/49/95/659554995.db2.gz FCEVZAPWYYVCNK-MNOVXSKESA-N 2 2 268.361 -0.983 20 0 CBADLP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[NH+]1C ZINC000931888260 659555081 /nfs/dbraw/zinc/55/50/81/659555081.db2.gz FCEVZAPWYYVCNK-WDEREUQCSA-N 2 2 268.361 -0.983 20 0 CBADLP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[NH+]1C ZINC000931888260 659555086 /nfs/dbraw/zinc/55/50/86/659555086.db2.gz FCEVZAPWYYVCNK-WDEREUQCSA-N 2 2 268.361 -0.983 20 0 CBADLP CC[NH+]1CC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000931888260 659555093 /nfs/dbraw/zinc/55/50/93/659555093.db2.gz FCEVZAPWYYVCNK-WDEREUQCSA-N 2 2 268.361 -0.983 20 0 CBADLP CC[NH+]1CC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000931888260 659555100 /nfs/dbraw/zinc/55/51/00/659555100.db2.gz FCEVZAPWYYVCNK-WDEREUQCSA-N 2 2 268.361 -0.983 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CCCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000989491284 659589463 /nfs/dbraw/zinc/58/94/63/659589463.db2.gz WADFKZWWTZKIEM-GFCCVEGCSA-N 2 2 294.399 -0.510 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CCCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000989491284 659589465 /nfs/dbraw/zinc/58/94/65/659589465.db2.gz WADFKZWWTZKIEM-GFCCVEGCSA-N 2 2 294.399 -0.510 20 0 CBADLP C[C@H]1C[C@H]([NH2+]CCO)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC000989492226 659589546 /nfs/dbraw/zinc/58/95/46/659589546.db2.gz LOJFREMSAATCSX-ONGXEEELSA-N 2 2 252.318 -0.477 20 0 CBADLP CNC(=O)C[N@@H+]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC000989475507 659590439 /nfs/dbraw/zinc/59/04/39/659590439.db2.gz ZAXCGVCPCAVXMM-CYBMUJFWSA-N 2 2 296.415 -0.392 20 0 CBADLP CNC(=O)C[N@H+]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC000989475507 659590442 /nfs/dbraw/zinc/59/04/42/659590442.db2.gz ZAXCGVCPCAVXMM-CYBMUJFWSA-N 2 2 296.415 -0.392 20 0 CBADLP CNC(=O)C[NH+]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000989475507 659590446 /nfs/dbraw/zinc/59/04/46/659590446.db2.gz ZAXCGVCPCAVXMM-CYBMUJFWSA-N 2 2 296.415 -0.392 20 0 CBADLP CNC(=O)C[NH+]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000989475507 659590451 /nfs/dbraw/zinc/59/04/51/659590451.db2.gz ZAXCGVCPCAVXMM-CYBMUJFWSA-N 2 2 296.415 -0.392 20 0 CBADLP C[C@@H]1C[C@H]([NH2+]CCO)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC000989492224 659590472 /nfs/dbraw/zinc/59/04/72/659590472.db2.gz LOJFREMSAATCSX-KOLCDFICSA-N 2 2 252.318 -0.477 20 0 CBADLP C[N@@H+]1CC[C@H](C(=O)N2CCC[NH+]([C@H]3CCNC3=O)CC2)C1 ZINC000989662300 659606961 /nfs/dbraw/zinc/60/69/61/659606961.db2.gz RZXHJTVNQWRMLA-STQMWFEESA-N 2 2 294.399 -0.639 20 0 CBADLP C[N@H+]1CC[C@H](C(=O)N2CCC[NH+]([C@H]3CCNC3=O)CC2)C1 ZINC000989662300 659606966 /nfs/dbraw/zinc/60/69/66/659606966.db2.gz RZXHJTVNQWRMLA-STQMWFEESA-N 2 2 294.399 -0.639 20 0 CBADLP C[NH+]1CC[C@H](C(=O)N2CCC[N@@H+]([C@H]3CCNC3=O)CC2)C1 ZINC000989662300 659606971 /nfs/dbraw/zinc/60/69/71/659606971.db2.gz RZXHJTVNQWRMLA-STQMWFEESA-N 2 2 294.399 -0.639 20 0 CBADLP C[NH+]1CC[C@H](C(=O)N2CCC[N@H+]([C@H]3CCNC3=O)CC2)C1 ZINC000989662300 659606977 /nfs/dbraw/zinc/60/69/77/659606977.db2.gz RZXHJTVNQWRMLA-STQMWFEESA-N 2 2 294.399 -0.639 20 0 CBADLP C[C@@H]1C[C@H]([NH2+]CC(N)=O)CN1C(=O)Cc1c[nH+]cn1C ZINC000989678074 659608201 /nfs/dbraw/zinc/60/82/01/659608201.db2.gz CLFJTGKNZNNHJV-ZJUUUORDSA-N 2 2 279.344 -0.973 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]([NH2+]CC(N)=O)C[C@@H]1C ZINC000989724673 659610031 /nfs/dbraw/zinc/61/00/31/659610031.db2.gz BMYFXSLKJHMQCG-WPRPVWTQSA-N 2 2 279.344 -0.675 20 0 CBADLP C[C@@H]1C[C@H]([NH2+]CCO)CN1C(=O)CCc1c[nH+]cn1C ZINC000989737407 659611690 /nfs/dbraw/zinc/61/16/90/659611690.db2.gz YKJVOTGEAWAUQT-NEPJUHHUSA-N 2 2 280.372 -0.076 20 0 CBADLP CCOC(=O)[C@@H]1CC[N@H+](C[C@H](O)C[NH+](C)CCOC)C1 ZINC000932640569 659612075 /nfs/dbraw/zinc/61/20/75/659612075.db2.gz ZPIWKGYFYPLFOB-CHWSQXEVSA-N 2 2 288.388 -0.190 20 0 CBADLP CCOC(=O)[C@@H]1CC[N@@H+](C[C@H](O)C[NH+](C)CCOC)C1 ZINC000932640569 659612085 /nfs/dbraw/zinc/61/20/85/659612085.db2.gz ZPIWKGYFYPLFOB-CHWSQXEVSA-N 2 2 288.388 -0.190 20 0 CBADLP CCOC(=O)[C@@H]1CC[NH+](C[C@H](O)C[N@H+](C)CCOC)C1 ZINC000932640569 659612089 /nfs/dbraw/zinc/61/20/89/659612089.db2.gz ZPIWKGYFYPLFOB-CHWSQXEVSA-N 2 2 288.388 -0.190 20 0 CBADLP CCOC(=O)[C@@H]1CC[NH+](C[C@H](O)C[N@@H+](C)CCOC)C1 ZINC000932640569 659612097 /nfs/dbraw/zinc/61/20/97/659612097.db2.gz ZPIWKGYFYPLFOB-CHWSQXEVSA-N 2 2 288.388 -0.190 20 0 CBADLP C[C@H]1C[C@H]([NH2+]CCO)CN1C(=O)Cn1cc[nH+]c1 ZINC000989856368 659617989 /nfs/dbraw/zinc/61/79/89/659617989.db2.gz ANEMYQVJNXNBCS-QWRGUYRKSA-N 2 2 252.318 -0.546 20 0 CBADLP C[N@H+](C[C@@H](O)C[NH+]1CC[C@@H](CS(N)(=O)=O)C1)C1CC1 ZINC000932949212 659645760 /nfs/dbraw/zinc/64/57/60/659645760.db2.gz WDGCCCOZBJRRSU-ZYHUDNBSSA-N 2 2 291.417 -0.948 20 0 CBADLP C[N@@H+](C[C@@H](O)C[NH+]1CC[C@@H](CS(N)(=O)=O)C1)C1CC1 ZINC000932949212 659645766 /nfs/dbraw/zinc/64/57/66/659645766.db2.gz WDGCCCOZBJRRSU-ZYHUDNBSSA-N 2 2 291.417 -0.948 20 0 CBADLP C[NH+](C[C@@H](O)C[N@@H+]1CC[C@@H](CS(N)(=O)=O)C1)C1CC1 ZINC000932949212 659645778 /nfs/dbraw/zinc/64/57/78/659645778.db2.gz WDGCCCOZBJRRSU-ZYHUDNBSSA-N 2 2 291.417 -0.948 20 0 CBADLP C[NH+](C[C@@H](O)C[N@H+]1CC[C@@H](CS(N)(=O)=O)C1)C1CC1 ZINC000932949212 659645785 /nfs/dbraw/zinc/64/57/85/659645785.db2.gz WDGCCCOZBJRRSU-ZYHUDNBSSA-N 2 2 291.417 -0.948 20 0 CBADLP O=S1(=O)NC[C@H]2C[N@H+](CCCn3cc[nH+]c3)CCN21 ZINC000933096619 659671828 /nfs/dbraw/zinc/67/18/28/659671828.db2.gz KHYCYYYDBWIFGU-NSHDSACASA-N 2 2 285.373 -0.893 20 0 CBADLP O=S1(=O)NC[C@H]2C[N@@H+](CCCn3cc[nH+]c3)CCN21 ZINC000933096619 659671839 /nfs/dbraw/zinc/67/18/39/659671839.db2.gz KHYCYYYDBWIFGU-NSHDSACASA-N 2 2 285.373 -0.893 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@]23CCC[C@H]2[NH+](CCO)CC3)C1 ZINC000990109935 659673579 /nfs/dbraw/zinc/67/35/79/659673579.db2.gz UIRZQOWVUVHWJL-GZBFAFLISA-N 2 2 297.399 -0.578 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N[C@@]23CCC[C@H]2[NH+](CCO)CC3)C1 ZINC000990109935 659673592 /nfs/dbraw/zinc/67/35/92/659673592.db2.gz UIRZQOWVUVHWJL-GZBFAFLISA-N 2 2 297.399 -0.578 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N[C@@]23CCC[C@H]2[N@H+](CCO)CC3)C1 ZINC000990109935 659673595 /nfs/dbraw/zinc/67/35/95/659673595.db2.gz UIRZQOWVUVHWJL-GZBFAFLISA-N 2 2 297.399 -0.578 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N[C@@]23CCC[C@H]2[N@@H+](CCO)CC3)C1 ZINC000990109935 659673601 /nfs/dbraw/zinc/67/36/01/659673601.db2.gz UIRZQOWVUVHWJL-GZBFAFLISA-N 2 2 297.399 -0.578 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC000933697569 659730886 /nfs/dbraw/zinc/73/08/86/659730886.db2.gz WIHPEZJOGHACSP-WOPDTQHZSA-N 2 2 293.433 -0.845 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC000933697569 659730890 /nfs/dbraw/zinc/73/08/90/659730890.db2.gz WIHPEZJOGHACSP-WOPDTQHZSA-N 2 2 293.433 -0.845 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC000933697569 659730893 /nfs/dbraw/zinc/73/08/93/659730893.db2.gz WIHPEZJOGHACSP-WOPDTQHZSA-N 2 2 293.433 -0.845 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC000933697569 659730894 /nfs/dbraw/zinc/73/08/94/659730894.db2.gz WIHPEZJOGHACSP-WOPDTQHZSA-N 2 2 293.433 -0.845 20 0 CBADLP CN(CC[NH+](C)C)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000934007934 659756362 /nfs/dbraw/zinc/75/63/62/659756362.db2.gz LFMIUGPBTUXZBP-KGLIPLIRSA-N 2 2 299.415 -0.114 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@@H](O)[C@@H](F)C2)CC1 ZINC000934576112 659805810 /nfs/dbraw/zinc/80/58/10/659805810.db2.gz ZXYYUUZQMXBUCM-NWDGAFQWSA-N 2 2 273.352 -0.445 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@@H](O)[C@@H](F)C2)CC1 ZINC000934576112 659805811 /nfs/dbraw/zinc/80/58/11/659805811.db2.gz ZXYYUUZQMXBUCM-NWDGAFQWSA-N 2 2 273.352 -0.445 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@H](O)[C@H](F)C2)CC1 ZINC000934576111 659805937 /nfs/dbraw/zinc/80/59/37/659805937.db2.gz ZXYYUUZQMXBUCM-NEPJUHHUSA-N 2 2 273.352 -0.445 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@H](O)[C@H](F)C2)CC1 ZINC000934576111 659805940 /nfs/dbraw/zinc/80/59/40/659805940.db2.gz ZXYYUUZQMXBUCM-NEPJUHHUSA-N 2 2 273.352 -0.445 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[N@H+](CC(N)=O)[C@H]1C ZINC000993602875 659870245 /nfs/dbraw/zinc/87/02/45/659870245.db2.gz BLIZPHYYBGFPOF-NWDGAFQWSA-N 2 2 293.371 -0.354 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)[C@H]1C ZINC000993602875 659870246 /nfs/dbraw/zinc/87/02/46/659870246.db2.gz BLIZPHYYBGFPOF-NWDGAFQWSA-N 2 2 293.371 -0.354 20 0 CBADLP C[C@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CCC[N@@H+]1CCO ZINC000994226837 659880063 /nfs/dbraw/zinc/88/00/63/659880063.db2.gz GSNNBDCNUIGSIZ-AAEUAGOBSA-N 2 2 280.372 -0.076 20 0 CBADLP C[C@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CCC[N@H+]1CCO ZINC000994226837 659880064 /nfs/dbraw/zinc/88/00/64/659880064.db2.gz GSNNBDCNUIGSIZ-AAEUAGOBSA-N 2 2 280.372 -0.076 20 0 CBADLP C[C@H]1[C@H](NC(=O)C23CC[NH+](CC2)C3)CCC[N@@H+]1CC(N)=O ZINC000994250856 659880312 /nfs/dbraw/zinc/88/03/12/659880312.db2.gz JOIPBDJANSLMJY-NWDGAFQWSA-N 2 2 294.399 -0.463 20 0 CBADLP C[C@H]1[C@H](NC(=O)C23CC[NH+](CC2)C3)CCC[N@H+]1CC(N)=O ZINC000994250856 659880314 /nfs/dbraw/zinc/88/03/14/659880314.db2.gz JOIPBDJANSLMJY-NWDGAFQWSA-N 2 2 294.399 -0.463 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CCC[N@@H+]1CC(N)=O ZINC000994413769 659881328 /nfs/dbraw/zinc/88/13/28/659881328.db2.gz XMCFLQMQGCTHKL-NEPJUHHUSA-N 2 2 282.388 -0.463 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CCC[N@H+]1CC(N)=O ZINC000994413769 659881329 /nfs/dbraw/zinc/88/13/29/659881329.db2.gz XMCFLQMQGCTHKL-NEPJUHHUSA-N 2 2 282.388 -0.463 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(N)=O)C1 ZINC000939626401 659891645 /nfs/dbraw/zinc/89/16/45/659891645.db2.gz JGFRADZQDNSNEY-LDYMZIIASA-N 2 2 279.344 -0.818 20 0 CBADLP CC1(C)CN(C(=O)CCn2cc[nH+]c2)C[C@H]1[NH2+]CC(N)=O ZINC000996107632 659922388 /nfs/dbraw/zinc/92/23/88/659922388.db2.gz UOJAZAMNEJMUIE-LLVKDONJSA-N 2 2 293.371 -0.415 20 0 CBADLP C[C@H]1C[N@H+](CC(N)=O)CC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000944099706 659933815 /nfs/dbraw/zinc/93/38/15/659933815.db2.gz RSADGROXZUFWPP-CMPLNLGQSA-N 2 2 293.371 -0.726 20 0 CBADLP C[C@H]1C[N@@H+](CC(N)=O)CC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000944099706 659933818 /nfs/dbraw/zinc/93/38/18/659933818.db2.gz RSADGROXZUFWPP-CMPLNLGQSA-N 2 2 293.371 -0.726 20 0 CBADLP C[C@H]1C[N@H+](CCO)CC[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC000944151954 659934397 /nfs/dbraw/zinc/93/43/97/659934397.db2.gz BOFLGWMYFRXHHP-AAEUAGOBSA-N 2 2 280.372 -0.219 20 0 CBADLP C[C@H]1C[N@@H+](CCO)CC[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC000944151954 659934402 /nfs/dbraw/zinc/93/44/02/659934402.db2.gz BOFLGWMYFRXHHP-AAEUAGOBSA-N 2 2 280.372 -0.219 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](CC(N)=O)[C@@H](C)C1 ZINC000947547263 659957302 /nfs/dbraw/zinc/95/73/02/659957302.db2.gz PTPKNFOKZUIITE-CMPLNLGQSA-N 2 2 293.371 -0.354 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)[C@@H](C)C1 ZINC000947547263 659957307 /nfs/dbraw/zinc/95/73/07/659957307.db2.gz PTPKNFOKZUIITE-CMPLNLGQSA-N 2 2 293.371 -0.354 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](CC(N)=O)[C@@H](C)C1 ZINC000947547264 659957393 /nfs/dbraw/zinc/95/73/93/659957393.db2.gz PTPKNFOKZUIITE-JQWIXIFHSA-N 2 2 293.371 -0.354 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](CC(N)=O)[C@@H](C)C1 ZINC000947547264 659957394 /nfs/dbraw/zinc/95/73/94/659957394.db2.gz PTPKNFOKZUIITE-JQWIXIFHSA-N 2 2 293.371 -0.354 20 0 CBADLP C[C@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)CC[N@@H+]1CCO ZINC000947929172 659963086 /nfs/dbraw/zinc/96/30/86/659963086.db2.gz JIUPZHCOMZZMRK-NWDGAFQWSA-N 2 2 280.372 -0.076 20 0 CBADLP C[C@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)CC[N@H+]1CCO ZINC000947929172 659963091 /nfs/dbraw/zinc/96/30/91/659963091.db2.gz JIUPZHCOMZZMRK-NWDGAFQWSA-N 2 2 280.372 -0.076 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001076517501 805579094 /nfs/dbraw/zinc/57/90/94/805579094.db2.gz NMQUWHVXTUOLLY-GXTWGEPZSA-N 2 2 292.383 -0.122 20 0 CBADLP NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001076574976 805580462 /nfs/dbraw/zinc/58/04/62/805580462.db2.gz TZYRBOQTYXFLOB-NWDGAFQWSA-N 2 2 280.372 -0.900 20 0 CBADLP NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001076574976 805580468 /nfs/dbraw/zinc/58/04/68/805580468.db2.gz TZYRBOQTYXFLOB-NWDGAFQWSA-N 2 2 280.372 -0.900 20 0 CBADLP CNC(=O)[C@H]1CCCC[N@@H+]1CC(=O)N1CC[NH2+]CC1 ZINC000042422462 790326749 /nfs/dbraw/zinc/32/67/49/790326749.db2.gz CNEMRCDYOVDXFF-LLVKDONJSA-N 2 2 268.361 -0.981 20 0 CBADLP CNC(=O)[C@H]1CCCC[N@H+]1CC(=O)N1CC[NH2+]CC1 ZINC000042422462 790326766 /nfs/dbraw/zinc/32/67/66/790326766.db2.gz CNEMRCDYOVDXFF-LLVKDONJSA-N 2 2 268.361 -0.981 20 0 CBADLP C#CCC[NH+]1CCN(C(=O)CN2CC[NH+](CC)CC2)CC1 ZINC000073228495 790352400 /nfs/dbraw/zinc/35/24/00/790352400.db2.gz MDFXBPPBGDRUOD-UHFFFAOYSA-N 2 2 292.427 -0.209 20 0 CBADLP O[C@H](C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1)C(F)(F)F ZINC000310986424 790476150 /nfs/dbraw/zinc/47/61/50/790476150.db2.gz GYHUJVPBMRZELE-VHSXEESVSA-N 2 2 267.295 -0.111 20 0 CBADLP C[NH+]1CC(NC(=O)[C@@H]([NH3+])CC(=O)OCc2ccccc2)C1 ZINC000379203605 790511315 /nfs/dbraw/zinc/51/13/15/790511315.db2.gz JELWMKJZOIAXEH-ZDUSSCGKSA-N 2 2 291.351 -0.123 20 0 CBADLP Cn1ncc(C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)n1 ZINC000381715916 790521048 /nfs/dbraw/zinc/52/10/48/790521048.db2.gz KDOZAVZSTZQRNS-UHFFFAOYSA-N 2 2 266.393 -0.069 20 0 CBADLP C[C@@H]([NH3+])C[N@H+](C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000382255662 790525879 /nfs/dbraw/zinc/52/58/79/790525879.db2.gz BKBMNGMSKASXAJ-SNVBAGLBSA-N 2 2 287.385 -0.008 20 0 CBADLP C[C@@H]([NH3+])C[N@@H+](C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000382255662 790525887 /nfs/dbraw/zinc/52/58/87/790525887.db2.gz BKBMNGMSKASXAJ-SNVBAGLBSA-N 2 2 287.385 -0.008 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC2(CC1)OCCO2 ZINC000384058054 790533777 /nfs/dbraw/zinc/53/37/77/790533777.db2.gz YELICXKRNDVBSP-ZDUSSCGKSA-N 2 2 288.388 -0.236 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC2(CC1)OCCO2 ZINC000384058054 790533783 /nfs/dbraw/zinc/53/37/83/790533783.db2.gz YELICXKRNDVBSP-ZDUSSCGKSA-N 2 2 288.388 -0.236 20 0 CBADLP COC[C@H](C)OC[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000385113685 790541180 /nfs/dbraw/zinc/54/11/80/790541180.db2.gz JKCBQTDHXOZKJA-QSLWVIQJSA-N 2 2 272.389 -0.109 20 0 CBADLP COC[C@H](C)OC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000385113685 790541185 /nfs/dbraw/zinc/54/11/85/790541185.db2.gz JKCBQTDHXOZKJA-QSLWVIQJSA-N 2 2 272.389 -0.109 20 0 CBADLP CN1CC[C@H]([NH+]2CCN([C@H]3CC[NH2+]C3)CC2)C1=O ZINC000385484305 790542547 /nfs/dbraw/zinc/54/25/47/790542547.db2.gz OWFVNEYZZKPQRH-RYUDHWBXSA-N 2 2 252.362 -0.803 20 0 CBADLP C[C@@H]1CN(C[C@H](O)C[NH+]2CCOCC2)C[C@@H](C)[NH2+]1 ZINC000386454000 790548347 /nfs/dbraw/zinc/54/83/47/790548347.db2.gz RRGABDSKXPLSKH-JHJVBQTASA-N 2 2 257.378 -0.638 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000388877084 790559060 /nfs/dbraw/zinc/55/90/60/790559060.db2.gz RRDXHTRPCITSCI-RDBSUJKOSA-N 3 2 273.421 -0.158 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000388877084 790559070 /nfs/dbraw/zinc/55/90/70/790559070.db2.gz RRDXHTRPCITSCI-RDBSUJKOSA-N 3 2 273.421 -0.158 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000388877084 790559081 /nfs/dbraw/zinc/55/90/81/790559081.db2.gz RRDXHTRPCITSCI-RDBSUJKOSA-N 3 2 273.421 -0.158 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000388877084 790559098 /nfs/dbraw/zinc/55/90/98/790559098.db2.gz RRDXHTRPCITSCI-RDBSUJKOSA-N 3 2 273.421 -0.158 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](CC[NH3+])C1 ZINC000388803347 790559402 /nfs/dbraw/zinc/55/94/02/790559402.db2.gz UJOPYUMRQUJQOS-KBPBESRZSA-N 3 2 273.421 -0.014 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](CC[NH3+])C1 ZINC000388803347 790559410 /nfs/dbraw/zinc/55/94/10/790559410.db2.gz UJOPYUMRQUJQOS-KBPBESRZSA-N 3 2 273.421 -0.014 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000388803347 790559414 /nfs/dbraw/zinc/55/94/14/790559414.db2.gz UJOPYUMRQUJQOS-KBPBESRZSA-N 3 2 273.421 -0.014 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000388803347 790559425 /nfs/dbraw/zinc/55/94/25/790559425.db2.gz UJOPYUMRQUJQOS-KBPBESRZSA-N 3 2 273.421 -0.014 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](CC[NH3+])C1 ZINC000388803350 790559862 /nfs/dbraw/zinc/55/98/62/790559862.db2.gz UJOPYUMRQUJQOS-UONOGXRCSA-N 3 2 273.421 -0.014 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](CC[NH3+])C1 ZINC000388803350 790559866 /nfs/dbraw/zinc/55/98/66/790559866.db2.gz UJOPYUMRQUJQOS-UONOGXRCSA-N 3 2 273.421 -0.014 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000388803350 790559873 /nfs/dbraw/zinc/55/98/73/790559873.db2.gz UJOPYUMRQUJQOS-UONOGXRCSA-N 3 2 273.421 -0.014 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000388803350 790559881 /nfs/dbraw/zinc/55/98/81/790559881.db2.gz UJOPYUMRQUJQOS-UONOGXRCSA-N 3 2 273.421 -0.014 20 0 CBADLP [NH3+][C@H](CC(=O)NC[C@H]1CN2CC[N@@H+]1CCC2)C1CC1 ZINC000394385583 790576683 /nfs/dbraw/zinc/57/66/83/790576683.db2.gz MLERMSOGJFHYEU-QWHCGFSZSA-N 2 2 266.389 -0.380 20 0 CBADLP [NH3+][C@H](CC(=O)NC[C@H]1CN2CC[N@H+]1CCC2)C1CC1 ZINC000394385583 790576691 /nfs/dbraw/zinc/57/66/91/790576691.db2.gz MLERMSOGJFHYEU-QWHCGFSZSA-N 2 2 266.389 -0.380 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CCC[N@@H+](CCO)C1 ZINC000395057721 790579310 /nfs/dbraw/zinc/57/93/10/790579310.db2.gz UAQJMVJHWOFRIM-LLVKDONJSA-N 2 2 252.318 -0.544 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CCC[N@H+](CCO)C1 ZINC000395057721 790579314 /nfs/dbraw/zinc/57/93/14/790579314.db2.gz UAQJMVJHWOFRIM-LLVKDONJSA-N 2 2 252.318 -0.544 20 0 CBADLP O=S(=O)(C1C[NH2+]C1)N1CC[NH+](CC2CC2)CC1 ZINC000405179128 790616859 /nfs/dbraw/zinc/61/68/59/790616859.db2.gz VLFJWHZPVYIACW-UHFFFAOYSA-N 2 2 259.375 -0.684 20 0 CBADLP C[C@H]1[C@H](C)OC[C@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000405711614 790618155 /nfs/dbraw/zinc/61/81/55/790618155.db2.gz GPWNSFFLXPZCIM-SDDRHHMPSA-N 2 2 255.362 -0.227 20 0 CBADLP C[N@H+](CCN1CCCS1(=O)=O)C1CC[NH2+]CC1 ZINC000695042704 790687842 /nfs/dbraw/zinc/68/78/42/790687842.db2.gz PXSDBBCCLRTIGP-UHFFFAOYSA-N 2 2 261.391 -0.294 20 0 CBADLP C[N@@H+](CCN1CCCS1(=O)=O)C1CC[NH2+]CC1 ZINC000695042704 790687847 /nfs/dbraw/zinc/68/78/47/790687847.db2.gz PXSDBBCCLRTIGP-UHFFFAOYSA-N 2 2 261.391 -0.294 20 0 CBADLP CC[C@@H]1COC[C@@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000699878602 790708205 /nfs/dbraw/zinc/70/82/05/790708205.db2.gz MOCLYEJYHMLFDE-NEPJUHHUSA-N 2 2 255.362 -0.225 20 0 CBADLP CC[NH+](CC)C[C@@H](O)C[NH+]1CCC(NC(N)=O)CC1 ZINC000702148182 790720047 /nfs/dbraw/zinc/72/00/47/790720047.db2.gz PUHSOWZZJZRVQC-GFCCVEGCSA-N 2 2 272.393 -0.178 20 0 CBADLP C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)CN1CC[NH2+]CC1=O ZINC000720897701 790773999 /nfs/dbraw/zinc/77/39/99/790773999.db2.gz IDPSXTLYKBVACZ-NEPJUHHUSA-N 2 2 280.372 -0.887 20 0 CBADLP C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)CN1CC[NH2+]CC1=O ZINC000720897701 790774008 /nfs/dbraw/zinc/77/40/08/790774008.db2.gz IDPSXTLYKBVACZ-NEPJUHHUSA-N 2 2 280.372 -0.887 20 0 CBADLP OCC[NH2+]C1CC[NH+](CCO[C@@H]2CCOC2)CC1 ZINC000724937968 790813998 /nfs/dbraw/zinc/81/39/98/790813998.db2.gz WGJNPXKKWLQZBJ-CYBMUJFWSA-N 2 2 258.362 -0.162 20 0 CBADLP C[N@H+](CCN1CCOC1=O)C1(C[NH3+])CCOCC1 ZINC000725054814 790816514 /nfs/dbraw/zinc/81/65/14/790816514.db2.gz HKQIBQXKHCYKOG-UHFFFAOYSA-N 2 2 257.334 -0.122 20 0 CBADLP C[N@@H+](CCN1CCOC1=O)C1(C[NH3+])CCOCC1 ZINC000725054814 790816517 /nfs/dbraw/zinc/81/65/17/790816517.db2.gz HKQIBQXKHCYKOG-UHFFFAOYSA-N 2 2 257.334 -0.122 20 0 CBADLP C[C@H](O)[C@@H](O)C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000820689814 790828745 /nfs/dbraw/zinc/82/87/45/790828745.db2.gz MFEHYVUMWDZGMR-IHRRRGAJSA-N 2 2 272.389 -0.085 20 0 CBADLP C[C@H](O)[C@@H](O)C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000820689814 790828732 /nfs/dbraw/zinc/82/87/32/790828732.db2.gz MFEHYVUMWDZGMR-IHRRRGAJSA-N 2 2 272.389 -0.085 20 0 CBADLP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000828634925 790880108 /nfs/dbraw/zinc/88/01/08/790880108.db2.gz BCRDUADOINVCLW-IUODEOHRSA-N 2 2 299.415 -0.643 20 0 CBADLP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000828634925 790880114 /nfs/dbraw/zinc/88/01/14/790880114.db2.gz BCRDUADOINVCLW-IUODEOHRSA-N 2 2 299.415 -0.643 20 0 CBADLP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000828634927 790880573 /nfs/dbraw/zinc/88/05/73/790880573.db2.gz BCRDUADOINVCLW-SWLSCSKDSA-N 2 2 299.415 -0.643 20 0 CBADLP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000828634927 790880584 /nfs/dbraw/zinc/88/05/84/790880584.db2.gz BCRDUADOINVCLW-SWLSCSKDSA-N 2 2 299.415 -0.643 20 0 CBADLP O=C1N[C@H](C2CC[NH+](C[C@H]3C[NH2+]CCO3)CC2)CO1 ZINC000923526767 790923454 /nfs/dbraw/zinc/92/34/54/790923454.db2.gz UKZVJJYPVKUCIT-NEPJUHHUSA-N 2 2 269.345 -0.205 20 0 CBADLP O=C(N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000960373018 790935511 /nfs/dbraw/zinc/93/55/11/790935511.db2.gz JDZDOVDGNUIHKH-SSKLVLDBSA-N 2 2 290.367 -0.058 20 0 CBADLP O=C(N[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000960373018 790935519 /nfs/dbraw/zinc/93/55/19/790935519.db2.gz JDZDOVDGNUIHKH-SSKLVLDBSA-N 2 2 290.367 -0.058 20 0 CBADLP O=C(N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000960373018 790935532 /nfs/dbraw/zinc/93/55/32/790935532.db2.gz JDZDOVDGNUIHKH-SSKLVLDBSA-N 2 2 290.367 -0.058 20 0 CBADLP O=C(N[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000960373018 790935546 /nfs/dbraw/zinc/93/55/46/790935546.db2.gz JDZDOVDGNUIHKH-SSKLVLDBSA-N 2 2 290.367 -0.058 20 0 CBADLP NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001022311757 791005261 /nfs/dbraw/zinc/00/52/61/791005261.db2.gz XJBIAURIQONLLU-GARJFASQSA-N 2 2 291.355 -0.832 20 0 CBADLP CN(C(=O)C[NH2+]CCNC(=O)Cc1c[nH+]cn1C)C1CC1 ZINC001147900005 814924846 /nfs/dbraw/zinc/92/48/46/814924846.db2.gz GSLSEVXRQVDSTB-UHFFFAOYSA-N 2 2 293.371 -0.711 20 0 CBADLP Cc1nnc([C@H](C)[NH2+]CCNC(=O)COCC[NH+](C)C)o1 ZINC001147892017 814924897 /nfs/dbraw/zinc/92/48/97/814924897.db2.gz GWCWYQUOVSTODR-JTQLQIEISA-N 2 2 299.375 -0.277 20 0 CBADLP CC[C@H](F)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001078178871 805848151 /nfs/dbraw/zinc/84/81/51/805848151.db2.gz HNADOVCFZWTSKF-YNEHKIRRSA-N 2 2 287.379 -0.008 20 0 CBADLP CC[C@H](F)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001078178871 805848161 /nfs/dbraw/zinc/84/81/61/805848161.db2.gz HNADOVCFZWTSKF-YNEHKIRRSA-N 2 2 287.379 -0.008 20 0 CBADLP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOC)C[C@H]1O ZINC001078228667 805860031 /nfs/dbraw/zinc/86/00/31/805860031.db2.gz ZNKUHLHZASTAES-HZSPNIEDSA-N 2 2 299.415 -0.332 20 0 CBADLP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOC)C[C@H]1O ZINC001078228667 805860038 /nfs/dbraw/zinc/86/00/38/805860038.db2.gz ZNKUHLHZASTAES-HZSPNIEDSA-N 2 2 299.415 -0.332 20 0 CBADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOC)C[C@H]1O ZINC001078228667 805860045 /nfs/dbraw/zinc/86/00/45/805860045.db2.gz ZNKUHLHZASTAES-HZSPNIEDSA-N 2 2 299.415 -0.332 20 0 CBADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOC)C[C@H]1O ZINC001078228667 805860053 /nfs/dbraw/zinc/86/00/53/805860053.db2.gz ZNKUHLHZASTAES-HZSPNIEDSA-N 2 2 299.415 -0.332 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1O ZINC001078272352 805865854 /nfs/dbraw/zinc/86/58/54/805865854.db2.gz SJPIVIVHOJIOMQ-CHWSQXEVSA-N 2 2 278.356 -0.156 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@H+](CC2CCC2)C[C@H]1O ZINC001078272352 805865863 /nfs/dbraw/zinc/86/58/63/805865863.db2.gz SJPIVIVHOJIOMQ-CHWSQXEVSA-N 2 2 278.356 -0.156 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H]([NH2+]CCO)C12CCC2 ZINC001078784408 805889867 /nfs/dbraw/zinc/88/98/67/805889867.db2.gz SKWMJFPFDMZICI-STQMWFEESA-N 2 2 292.383 -0.028 20 0 CBADLP COCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001079526984 805923983 /nfs/dbraw/zinc/92/39/83/805923983.db2.gz YUWCOXBFOJNQAT-JHJVBQTASA-N 2 2 285.388 -0.600 20 0 CBADLP COCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001079526984 805923989 /nfs/dbraw/zinc/92/39/89/805923989.db2.gz YUWCOXBFOJNQAT-JHJVBQTASA-N 2 2 285.388 -0.600 20 0 CBADLP COCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001079526984 805923996 /nfs/dbraw/zinc/92/39/96/805923996.db2.gz YUWCOXBFOJNQAT-JHJVBQTASA-N 2 2 285.388 -0.600 20 0 CBADLP COCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001079526984 805924001 /nfs/dbraw/zinc/92/40/01/805924001.db2.gz YUWCOXBFOJNQAT-JHJVBQTASA-N 2 2 285.388 -0.600 20 0 CBADLP Cc1noc(C[NH2+]CCNC(=O)C23CC[NH+](CC2)C3)n1 ZINC001147971048 814927370 /nfs/dbraw/zinc/92/73/70/814927370.db2.gz UTERKXANEMCENA-UHFFFAOYSA-N 2 2 279.344 -0.320 20 0 CBADLP C[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001080471160 805986423 /nfs/dbraw/zinc/98/64/23/805986423.db2.gz SEMGYZUBTBJLAO-FDYHWXHSSA-N 2 2 292.383 -0.048 20 0 CBADLP C[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001080471160 805986427 /nfs/dbraw/zinc/98/64/27/805986427.db2.gz SEMGYZUBTBJLAO-FDYHWXHSSA-N 2 2 292.383 -0.048 20 0 CBADLP O=C(NCC[NH2+]Cc1csnn1)C12CC[NH+](CC1)C2 ZINC001147970329 814927629 /nfs/dbraw/zinc/92/76/29/814927629.db2.gz HTWHSMNKLUVOOE-UHFFFAOYSA-N 2 2 281.385 -0.160 20 0 CBADLP O=C(NCC[NH2+]Cc1cnon1)C12CC[NH+](CC1)C2 ZINC001147977384 814927799 /nfs/dbraw/zinc/92/77/99/814927799.db2.gz QRZGTFCNRLTQGT-UHFFFAOYSA-N 2 2 265.317 -0.629 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+]([C@H](C)C(N)=O)C[C@H]1C ZINC001080948050 806016626 /nfs/dbraw/zinc/01/66/26/806016626.db2.gz ZNRQENLFCKWREU-CKYFFXLPSA-N 2 2 293.371 -0.498 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@H]1C ZINC001080948050 806016633 /nfs/dbraw/zinc/01/66/33/806016633.db2.gz ZNRQENLFCKWREU-CKYFFXLPSA-N 2 2 293.371 -0.498 20 0 CBADLP O=C(NCC[NH2+]Cc1ncccn1)C12CC[NH+](CC1)C2 ZINC001147970835 814928191 /nfs/dbraw/zinc/92/81/91/814928191.db2.gz RKKLXDAYLQKUJO-UHFFFAOYSA-N 2 2 275.356 -0.222 20 0 CBADLP CO[C@@H]1C[N@@H+](C(C)C)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001081481885 806086863 /nfs/dbraw/zinc/08/68/63/806086863.db2.gz ZAICNVFLUZLLJP-JHJVBQTASA-N 2 2 285.388 -0.459 20 0 CBADLP CO[C@@H]1C[N@H+](C(C)C)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001081481885 806086873 /nfs/dbraw/zinc/08/68/73/806086873.db2.gz ZAICNVFLUZLLJP-JHJVBQTASA-N 2 2 285.388 -0.459 20 0 CBADLP CO[C@@H]1C[NH+](C(C)C)C[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001081481885 806086881 /nfs/dbraw/zinc/08/68/81/806086881.db2.gz ZAICNVFLUZLLJP-JHJVBQTASA-N 2 2 285.388 -0.459 20 0 CBADLP CO[C@@H]1C[NH+](C(C)C)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001081481885 806086892 /nfs/dbraw/zinc/08/68/92/806086892.db2.gz ZAICNVFLUZLLJP-JHJVBQTASA-N 2 2 285.388 -0.459 20 0 CBADLP CO[C@@H]1C[N@H+](CCCO)C[C@H]1NC(=O)[C@H]1CCCC[NH+]1C ZINC001081855649 806127808 /nfs/dbraw/zinc/12/78/08/806127808.db2.gz NURDPMPYJKDAQT-MGPQQGTHSA-N 2 2 299.415 -0.332 20 0 CBADLP CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)[C@H]1CCCC[NH+]1C ZINC001081855649 806127815 /nfs/dbraw/zinc/12/78/15/806127815.db2.gz NURDPMPYJKDAQT-MGPQQGTHSA-N 2 2 299.415 -0.332 20 0 CBADLP CO[C@@H]1C[NH+](CCCO)C[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001081855649 806127821 /nfs/dbraw/zinc/12/78/21/806127821.db2.gz NURDPMPYJKDAQT-MGPQQGTHSA-N 2 2 299.415 -0.332 20 0 CBADLP CO[C@@H]1C[NH+](CCCO)C[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C ZINC001081855649 806127825 /nfs/dbraw/zinc/12/78/25/806127825.db2.gz NURDPMPYJKDAQT-MGPQQGTHSA-N 2 2 299.415 -0.332 20 0 CBADLP C[C@@H]([NH2+][C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C)C(N)=O ZINC001082549592 806186406 /nfs/dbraw/zinc/18/64/06/806186406.db2.gz MHISWPHIPRFCMJ-CKYFFXLPSA-N 2 2 293.371 -0.347 20 0 CBADLP C[C@@H]([NH2+][C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C)C(N)=O ZINC001082549592 806186408 /nfs/dbraw/zinc/18/64/08/806186408.db2.gz MHISWPHIPRFCMJ-CKYFFXLPSA-N 2 2 293.371 -0.347 20 0 CBADLP CC[C@@H]([NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C)C(N)=O ZINC001082824202 806194771 /nfs/dbraw/zinc/19/47/71/806194771.db2.gz NADBPUUTSOYCRU-GMTAPVOTSA-N 2 2 293.371 -0.347 20 0 CBADLP C[C@@H]([NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C)C(N)=O ZINC001082823356 806195310 /nfs/dbraw/zinc/19/53/10/806195310.db2.gz FAQFKGADSUZBPS-OPRDCNLKSA-N 2 2 279.344 -0.738 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001082884065 806196245 /nfs/dbraw/zinc/19/62/45/806196245.db2.gz AVPLJJLUAMAXQL-HLUHBDAQSA-N 2 2 293.371 -0.429 20 0 CBADLP C[C@H]([NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C)C(N)=O ZINC001082860722 806197212 /nfs/dbraw/zinc/19/72/12/806197212.db2.gz IUQSGSXVZVFPNK-JFGNBEQYSA-N 2 2 293.371 -0.727 20 0 CBADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+][C@@H]1CCNC1=O ZINC001082958053 806198171 /nfs/dbraw/zinc/19/81/71/806198171.db2.gz YWLFLICYVBVWJC-IJLUTSLNSA-N 2 2 291.355 -0.792 20 0 CBADLP C[N@@H+]1CCCC[C@H]1C(=O)N1CCO[C@@H]2C[NH+](CCO)C[C@@H]21 ZINC001083168881 806233443 /nfs/dbraw/zinc/23/34/43/806233443.db2.gz RJJCNJWVOARMAH-MELADBBJSA-N 2 2 297.399 -0.625 20 0 CBADLP C[N@H+]1CCCC[C@H]1C(=O)N1CCO[C@@H]2C[NH+](CCO)C[C@@H]21 ZINC001083168881 806233447 /nfs/dbraw/zinc/23/34/47/806233447.db2.gz RJJCNJWVOARMAH-MELADBBJSA-N 2 2 297.399 -0.625 20 0 CBADLP C[NH+]1CCCC[C@H]1C(=O)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001083168881 806233455 /nfs/dbraw/zinc/23/34/55/806233455.db2.gz RJJCNJWVOARMAH-MELADBBJSA-N 2 2 297.399 -0.625 20 0 CBADLP C[NH+]1CCCC[C@H]1C(=O)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001083168881 806233457 /nfs/dbraw/zinc/23/34/57/806233457.db2.gz RJJCNJWVOARMAH-MELADBBJSA-N 2 2 297.399 -0.625 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCF)C[C@@H]2O)CC[N@@H+]1C ZINC001083475203 806340042 /nfs/dbraw/zinc/34/00/42/806340042.db2.gz YDYXISYNVZAHPY-LOWDOPEQSA-N 2 2 287.379 -0.153 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCF)C[C@@H]2O)CC[N@H+]1C ZINC001083475203 806340052 /nfs/dbraw/zinc/34/00/52/806340052.db2.gz YDYXISYNVZAHPY-LOWDOPEQSA-N 2 2 287.379 -0.153 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CCF)C[C@@H]2O)CC[NH+]1C ZINC001083475203 806340065 /nfs/dbraw/zinc/34/00/65/806340065.db2.gz YDYXISYNVZAHPY-LOWDOPEQSA-N 2 2 287.379 -0.153 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CCF)C[C@@H]2O)CC[NH+]1C ZINC001083475203 806340073 /nfs/dbraw/zinc/34/00/73/806340073.db2.gz YDYXISYNVZAHPY-LOWDOPEQSA-N 2 2 287.379 -0.153 20 0 CBADLP CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@@H](O)C1 ZINC001083572019 806366303 /nfs/dbraw/zinc/36/63/03/806366303.db2.gz WWUJDGNERVVOMV-UTUOFQBUSA-N 2 2 255.362 -0.348 20 0 CBADLP CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@@H](O)C1 ZINC001083572019 806366313 /nfs/dbraw/zinc/36/63/13/806366313.db2.gz WWUJDGNERVVOMV-UTUOFQBUSA-N 2 2 255.362 -0.348 20 0 CBADLP CC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)[C@@H](O)C1 ZINC001083572019 806366323 /nfs/dbraw/zinc/36/63/23/806366323.db2.gz WWUJDGNERVVOMV-UTUOFQBUSA-N 2 2 255.362 -0.348 20 0 CBADLP CC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)[C@@H](O)C1 ZINC001083572019 806366333 /nfs/dbraw/zinc/36/63/33/806366333.db2.gz WWUJDGNERVVOMV-UTUOFQBUSA-N 2 2 255.362 -0.348 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N(CCO)Cc2cccs2)C1 ZINC001160444228 815622264 /nfs/dbraw/zinc/62/22/64/815622264.db2.gz ZPWGYZUQLGXQJC-KOLCDFICSA-N 2 2 269.370 -0.242 20 0 CBADLP COCC[N@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](O)C1 ZINC001083997658 806474220 /nfs/dbraw/zinc/47/42/20/806474220.db2.gz HKWOXSDHICZRSX-NEPJUHHUSA-N 2 2 282.344 -0.932 20 0 CBADLP COCC[N@@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](O)C1 ZINC001083997658 806474225 /nfs/dbraw/zinc/47/42/25/806474225.db2.gz HKWOXSDHICZRSX-NEPJUHHUSA-N 2 2 282.344 -0.932 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@@H+](CCCF)C[C@@H]1O ZINC001084115797 806491960 /nfs/dbraw/zinc/49/19/60/806491960.db2.gz IMMDJPGQSJWWHV-MNOVXSKESA-N 2 2 270.308 -0.596 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@H+](CCCF)C[C@@H]1O ZINC001084115797 806491966 /nfs/dbraw/zinc/49/19/66/806491966.db2.gz IMMDJPGQSJWWHV-MNOVXSKESA-N 2 2 270.308 -0.596 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001084230679 806503258 /nfs/dbraw/zinc/50/32/58/806503258.db2.gz CULCHVXBNMGQBU-FRRDWIJNSA-N 2 2 294.399 -0.641 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001084230679 806503262 /nfs/dbraw/zinc/50/32/62/806503262.db2.gz CULCHVXBNMGQBU-FRRDWIJNSA-N 2 2 294.399 -0.641 20 0 CBADLP CNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001084230679 806503266 /nfs/dbraw/zinc/50/32/66/806503266.db2.gz CULCHVXBNMGQBU-FRRDWIJNSA-N 2 2 294.399 -0.641 20 0 CBADLP CNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001084230679 806503271 /nfs/dbraw/zinc/50/32/71/806503271.db2.gz CULCHVXBNMGQBU-FRRDWIJNSA-N 2 2 294.399 -0.641 20 0 CBADLP COCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001084251136 806505956 /nfs/dbraw/zinc/50/59/56/806505956.db2.gz CKQMBASZOPLZCN-MCIONIFRSA-N 2 2 297.399 -0.504 20 0 CBADLP COCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001084251136 806505963 /nfs/dbraw/zinc/50/59/63/806505963.db2.gz CKQMBASZOPLZCN-MCIONIFRSA-N 2 2 297.399 -0.504 20 0 CBADLP COCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001084251136 806505969 /nfs/dbraw/zinc/50/59/69/806505969.db2.gz CKQMBASZOPLZCN-MCIONIFRSA-N 2 2 297.399 -0.504 20 0 CBADLP COCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC001084251136 806505974 /nfs/dbraw/zinc/50/59/74/806505974.db2.gz CKQMBASZOPLZCN-MCIONIFRSA-N 2 2 297.399 -0.504 20 0 CBADLP C[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001084866457 806540805 /nfs/dbraw/zinc/54/08/05/806540805.db2.gz QYGCJJKAKYFWAL-YNEHKIRRSA-N 2 2 278.356 -0.203 20 0 CBADLP C[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001084866457 806540810 /nfs/dbraw/zinc/54/08/10/806540810.db2.gz QYGCJJKAKYFWAL-YNEHKIRRSA-N 2 2 278.356 -0.203 20 0 CBADLP NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001085438223 806555404 /nfs/dbraw/zinc/55/54/04/806555404.db2.gz BFJNRWWEUYKZSO-GHMZBOCLSA-N 2 2 279.344 -0.615 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001085968580 806627298 /nfs/dbraw/zinc/62/72/98/806627298.db2.gz LMCUSRZRDAWMSJ-NEPJUHHUSA-N 2 2 282.388 -0.783 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001085968580 806627301 /nfs/dbraw/zinc/62/73/01/806627301.db2.gz LMCUSRZRDAWMSJ-NEPJUHHUSA-N 2 2 282.388 -0.783 20 0 CBADLP CNC(=O)C[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001085968580 806627305 /nfs/dbraw/zinc/62/73/05/806627305.db2.gz LMCUSRZRDAWMSJ-NEPJUHHUSA-N 2 2 282.388 -0.783 20 0 CBADLP CNC(=O)C[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001085968580 806627308 /nfs/dbraw/zinc/62/73/08/806627308.db2.gz LMCUSRZRDAWMSJ-NEPJUHHUSA-N 2 2 282.388 -0.783 20 0 CBADLP CN(C)C(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001085968855 806627878 /nfs/dbraw/zinc/62/78/78/806627878.db2.gz QOYKCUFOCUINNA-STQMWFEESA-N 2 2 296.415 -0.441 20 0 CBADLP CN(C)C(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001085968855 806627881 /nfs/dbraw/zinc/62/78/81/806627881.db2.gz QOYKCUFOCUINNA-STQMWFEESA-N 2 2 296.415 -0.441 20 0 CBADLP CN(C)C(=O)C[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001085968855 806627887 /nfs/dbraw/zinc/62/78/87/806627887.db2.gz QOYKCUFOCUINNA-STQMWFEESA-N 2 2 296.415 -0.441 20 0 CBADLP CN(C)C(=O)C[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001085968855 806627892 /nfs/dbraw/zinc/62/78/92/806627892.db2.gz QOYKCUFOCUINNA-STQMWFEESA-N 2 2 296.415 -0.441 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001022776200 798840822 /nfs/dbraw/zinc/84/08/22/798840822.db2.gz WZVXVSQIJDOJHI-NGZCFLSTSA-N 2 2 277.328 -0.923 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1C[C@@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001022775759 798841201 /nfs/dbraw/zinc/84/12/01/798841201.db2.gz GXPSVXQTBLADAV-UMNHJUIQSA-N 2 2 291.355 -0.532 20 0 CBADLP CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1)C(N)=O ZINC001022889755 798865238 /nfs/dbraw/zinc/86/52/38/798865238.db2.gz YWVVRSFEACDCOH-AEJSXWLSSA-N 2 2 279.344 -0.547 20 0 CBADLP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)C1)C(N)=O ZINC001022976691 798871643 /nfs/dbraw/zinc/87/16/43/798871643.db2.gz DOMBRKLEIGXKRG-LPEHRKFASA-N 2 2 279.344 -0.927 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001023025082 798874996 /nfs/dbraw/zinc/87/49/96/798874996.db2.gz UJUOXWGKHOMDTE-AXFHLTTASA-N 2 2 291.355 -0.614 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC(N)=O ZINC001024367235 798935013 /nfs/dbraw/zinc/93/50/13/798935013.db2.gz YICKNMPBIXJTSJ-NWDGAFQWSA-N 2 2 282.388 -0.463 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC(N)=O ZINC001024367235 798935016 /nfs/dbraw/zinc/93/50/16/798935016.db2.gz YICKNMPBIXJTSJ-NWDGAFQWSA-N 2 2 282.388 -0.463 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CC(N)=O ZINC001024367235 798935023 /nfs/dbraw/zinc/93/50/23/798935023.db2.gz YICKNMPBIXJTSJ-NWDGAFQWSA-N 2 2 282.388 -0.463 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CC(N)=O ZINC001024367235 798935027 /nfs/dbraw/zinc/93/50/27/798935027.db2.gz YICKNMPBIXJTSJ-NWDGAFQWSA-N 2 2 282.388 -0.463 20 0 CBADLP NC(=O)C[NH2+]C1CCC(NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001026568410 799008987 /nfs/dbraw/zinc/00/89/87/799008987.db2.gz FSVAQNHZSHGLRB-UHFFFAOYSA-N 2 2 279.344 -0.546 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC1CCC([NH2+]CCO)CC1 ZINC001026583520 799009929 /nfs/dbraw/zinc/00/99/29/799009929.db2.gz WQJXIUHEXWYABE-UHFFFAOYSA-N 2 2 266.345 -0.039 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CC[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001027244523 799033369 /nfs/dbraw/zinc/03/33/69/799033369.db2.gz FCKLDAJYXLIWSB-NEPJUHHUSA-N 2 2 291.355 -0.790 20 0 CBADLP C[C@@H](C(N)=O)[N@H+](C)[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001027595189 799057705 /nfs/dbraw/zinc/05/77/05/799057705.db2.gz WIFXCYGWBVVLJY-JQWIXIFHSA-N 2 2 293.371 -0.251 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+](C)[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001027595189 799057712 /nfs/dbraw/zinc/05/77/12/799057712.db2.gz WIFXCYGWBVVLJY-JQWIXIFHSA-N 2 2 293.371 -0.251 20 0 CBADLP C[C@H](C(N)=O)[N@H+](C)[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001027595191 799058529 /nfs/dbraw/zinc/05/85/29/799058529.db2.gz WIFXCYGWBVVLJY-PWSUYJOCSA-N 2 2 293.371 -0.251 20 0 CBADLP C[C@H](C(N)=O)[N@@H+](C)[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001027595191 799058537 /nfs/dbraw/zinc/05/85/37/799058537.db2.gz WIFXCYGWBVVLJY-PWSUYJOCSA-N 2 2 293.371 -0.251 20 0 CBADLP C[N@H+](CCO)[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001027633435 799062793 /nfs/dbraw/zinc/06/27/93/799062793.db2.gz WXGDXPZLOSJQIP-LLVKDONJSA-N 2 2 266.345 -0.133 20 0 CBADLP C[N@@H+](CCO)[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001027633435 799062795 /nfs/dbraw/zinc/06/27/95/799062795.db2.gz WXGDXPZLOSJQIP-LLVKDONJSA-N 2 2 266.345 -0.133 20 0 CBADLP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CC(N)=O ZINC001027971759 799099977 /nfs/dbraw/zinc/09/99/77/799099977.db2.gz LSBMEJSRDCFVKH-NEPJUHHUSA-N 2 2 282.388 -0.463 20 0 CBADLP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CC(N)=O ZINC001027971759 799099985 /nfs/dbraw/zinc/09/99/85/799099985.db2.gz LSBMEJSRDCFVKH-NEPJUHHUSA-N 2 2 282.388 -0.463 20 0 CBADLP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC(N)=O ZINC001027971759 799099992 /nfs/dbraw/zinc/09/99/92/799099992.db2.gz LSBMEJSRDCFVKH-NEPJUHHUSA-N 2 2 282.388 -0.463 20 0 CBADLP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CC(N)=O ZINC001027971759 799099998 /nfs/dbraw/zinc/09/99/98/799099998.db2.gz LSBMEJSRDCFVKH-NEPJUHHUSA-N 2 2 282.388 -0.463 20 0 CBADLP NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001027996136 799101098 /nfs/dbraw/zinc/10/10/98/799101098.db2.gz BWDCXZVSARHCOF-LBPRGKRZSA-N 2 2 294.399 -0.319 20 0 CBADLP NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001027996136 799101102 /nfs/dbraw/zinc/10/11/02/799101102.db2.gz BWDCXZVSARHCOF-LBPRGKRZSA-N 2 2 294.399 -0.319 20 0 CBADLP NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001028262697 799118913 /nfs/dbraw/zinc/11/89/13/799118913.db2.gz AFXCELKOQHPOHF-NSHDSACASA-N 2 2 280.372 -0.852 20 0 CBADLP NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001028262697 799118918 /nfs/dbraw/zinc/11/89/18/799118918.db2.gz AFXCELKOQHPOHF-NSHDSACASA-N 2 2 280.372 -0.852 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CC[NH+](CCF)C2)C1 ZINC001028465957 799140623 /nfs/dbraw/zinc/14/06/23/799140623.db2.gz NTCRSFBKVMMVDQ-NWDGAFQWSA-N 2 2 273.352 -0.275 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CC[NH+](CCF)C2)C1 ZINC001028465957 799140630 /nfs/dbraw/zinc/14/06/30/799140630.db2.gz NTCRSFBKVMMVDQ-NWDGAFQWSA-N 2 2 273.352 -0.275 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CC[N@H+](CCF)C2)C1 ZINC001028465957 799140633 /nfs/dbraw/zinc/14/06/33/799140633.db2.gz NTCRSFBKVMMVDQ-NWDGAFQWSA-N 2 2 273.352 -0.275 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CC[N@@H+](CCF)C2)C1 ZINC001028465957 799140638 /nfs/dbraw/zinc/14/06/38/799140638.db2.gz NTCRSFBKVMMVDQ-NWDGAFQWSA-N 2 2 273.352 -0.275 20 0 CBADLP O=C(NC[C@@H]1CC[N@@H+](CCO)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC001028638584 799156084 /nfs/dbraw/zinc/15/60/84/799156084.db2.gz LWSBDYQOLLJORP-STQMWFEESA-N 2 2 292.383 -0.124 20 0 CBADLP O=C(NC[C@@H]1CC[N@H+](CCO)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC001028638584 799156088 /nfs/dbraw/zinc/15/60/88/799156088.db2.gz LWSBDYQOLLJORP-STQMWFEESA-N 2 2 292.383 -0.124 20 0 CBADLP CC[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NC)[NH+](C)C ZINC001029478329 799200441 /nfs/dbraw/zinc/20/04/41/799200441.db2.gz JKRDKCVRFWYTGH-XQQFMLRXSA-N 2 2 296.415 -0.252 20 0 CBADLP CC[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NC)[NH+](C)C ZINC001029478329 799200443 /nfs/dbraw/zinc/20/04/43/799200443.db2.gz JKRDKCVRFWYTGH-XQQFMLRXSA-N 2 2 296.415 -0.252 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)NC2C[NH+](CCC3CC3)C2)C1 ZINC001030180235 799257258 /nfs/dbraw/zinc/25/72/58/799257258.db2.gz MNGYZNZTKFPGEA-CYBMUJFWSA-N 2 2 267.373 -0.083 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)NC2C[NH+](CCC3CC3)C2)C1 ZINC001030180235 799257262 /nfs/dbraw/zinc/25/72/62/799257262.db2.gz MNGYZNZTKFPGEA-CYBMUJFWSA-N 2 2 267.373 -0.083 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)NC2C[NH+](CCO)C2)CC[N@@H+]1C ZINC001030340367 799299139 /nfs/dbraw/zinc/29/91/39/799299139.db2.gz PVGJOULCBXYHSN-NWDGAFQWSA-N 2 2 255.362 -0.491 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)NC2C[NH+](CCO)C2)CC[N@H+]1C ZINC001030340367 799299145 /nfs/dbraw/zinc/29/91/45/799299145.db2.gz PVGJOULCBXYHSN-NWDGAFQWSA-N 2 2 255.362 -0.491 20 0 CBADLP C[C@H](O)C[NH+]1CC(NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001030705947 799365486 /nfs/dbraw/zinc/36/54/86/799365486.db2.gz QYMDKEAQARNZHY-IOTIRUCGSA-N 2 2 295.383 -0.969 20 0 CBADLP C[C@H](O)C[NH+]1CC(NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001030705947 799365491 /nfs/dbraw/zinc/36/54/91/799365491.db2.gz QYMDKEAQARNZHY-IOTIRUCGSA-N 2 2 295.383 -0.969 20 0 CBADLP CO[C@@H](C)C[NH+]1CC(NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001030838122 799392958 /nfs/dbraw/zinc/39/29/58/799392958.db2.gz ACVRSRSKEMFLMP-GXTWGEPZSA-N 2 2 299.415 -0.069 20 0 CBADLP CO[C@@H](C)C[NH+]1CC(NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001030838122 799392966 /nfs/dbraw/zinc/39/29/66/799392966.db2.gz ACVRSRSKEMFLMP-GXTWGEPZSA-N 2 2 299.415 -0.069 20 0 CBADLP CC(C)[N@H+]1CCO[C@@H](C(=O)NC2C[NH+](C[C@H](C)O)C2)C1 ZINC001030839377 799394749 /nfs/dbraw/zinc/39/47/49/799394749.db2.gz KBMHBLMOSRGABB-WCQYABFASA-N 2 2 285.388 -0.723 20 0 CBADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)NC2C[NH+](C[C@H](C)O)C2)C1 ZINC001030839377 799394751 /nfs/dbraw/zinc/39/47/51/799394751.db2.gz KBMHBLMOSRGABB-WCQYABFASA-N 2 2 285.388 -0.723 20 0 CBADLP COCC[NH+]1CC(NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001030960046 799417520 /nfs/dbraw/zinc/41/75/20/799417520.db2.gz HSIWXUXRWKXDRZ-CMPLNLGQSA-N 2 2 255.362 -0.369 20 0 CBADLP COCC[NH+]1CC(NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001030960046 799417523 /nfs/dbraw/zinc/41/75/23/799417523.db2.gz HSIWXUXRWKXDRZ-CMPLNLGQSA-N 2 2 255.362 -0.369 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC1C[NH+](CCn2cccn2)C1 ZINC001030964961 799420716 /nfs/dbraw/zinc/42/07/16/799420716.db2.gz XTLHPBPAPUWXGV-OCCSQVGLSA-N 2 2 291.399 -0.119 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1C[NH+](CCn2cccn2)C1 ZINC001030964961 799420720 /nfs/dbraw/zinc/42/07/20/799420720.db2.gz XTLHPBPAPUWXGV-OCCSQVGLSA-N 2 2 291.399 -0.119 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC1C[NH+](C[C@@H]2CCOC2)C1 ZINC001031258687 799464115 /nfs/dbraw/zinc/46/41/15/799464115.db2.gz QLFLWQZMGLQCDG-NSHDSACASA-N 2 2 278.356 -0.201 20 0 CBADLP C[C@@H](O)C[NH+]1CC(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001031257960 799465101 /nfs/dbraw/zinc/46/51/01/799465101.db2.gz BYTGOAOTLCHSLP-GHMZBOCLSA-N 2 2 255.362 -0.491 20 0 CBADLP C[C@@H](O)C[NH+]1CC(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001031257960 799465105 /nfs/dbraw/zinc/46/51/05/799465105.db2.gz BYTGOAOTLCHSLP-GHMZBOCLSA-N 2 2 255.362 -0.491 20 0 CBADLP COCC[NH+]1CC(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001031264964 799465849 /nfs/dbraw/zinc/46/58/49/799465849.db2.gz WFBHVCHVIBINGS-UHFFFAOYSA-N 2 2 253.346 -0.471 20 0 CBADLP Cn1c[nH+]cc1CN1CC(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001031264810 799466639 /nfs/dbraw/zinc/46/66/39/799466639.db2.gz VBDHNAJCELVRRZ-UHFFFAOYSA-N 2 2 289.383 -0.184 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC1C[NH+](C[C@H]2CCOC2)C1 ZINC001031477262 799492923 /nfs/dbraw/zinc/49/29/23/799492923.db2.gz WMYSGWGHDLOBEU-LLVKDONJSA-N 2 2 264.329 -0.280 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](CC(N)=O)C2)CC[N@@H+]1C ZINC001031684669 799531612 /nfs/dbraw/zinc/53/16/12/799531612.db2.gz XSYTUTBBYKLTGX-NWDGAFQWSA-N 2 2 282.388 -0.750 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](CC(N)=O)C2)CC[N@H+]1C ZINC001031684669 799531619 /nfs/dbraw/zinc/53/16/19/799531619.db2.gz XSYTUTBBYKLTGX-NWDGAFQWSA-N 2 2 282.388 -0.750 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001031675073 799531761 /nfs/dbraw/zinc/53/17/61/799531761.db2.gz TZSMQAXKETXMFE-ZWNOBZJWSA-N 2 2 294.399 -0.750 20 0 CBADLP C[C@H](O)C[NH+]1CC(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001031778024 799543675 /nfs/dbraw/zinc/54/36/75/799543675.db2.gz HDMXYQNLMRYUGI-WCQYABFASA-N 2 2 292.383 -0.126 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CC(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001032130125 799584053 /nfs/dbraw/zinc/58/40/53/799584053.db2.gz GQMHFFSFOYPZCR-SNVBAGLBSA-N 2 2 280.372 -0.996 20 0 CBADLP C[N@@H+]1CC[C@@H](C(=O)NCC2C[NH+](CC(=O)N3CCC3)C2)C1 ZINC001032182179 799591061 /nfs/dbraw/zinc/59/10/61/799591061.db2.gz GGAQZNYJRFSUFM-CYBMUJFWSA-N 2 2 294.399 -0.782 20 0 CBADLP C[N@H+]1CC[C@@H](C(=O)NCC2C[NH+](CC(=O)N3CCC3)C2)C1 ZINC001032182179 799591063 /nfs/dbraw/zinc/59/10/63/799591063.db2.gz GGAQZNYJRFSUFM-CYBMUJFWSA-N 2 2 294.399 -0.782 20 0 CBADLP COCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001032472730 799631593 /nfs/dbraw/zinc/63/15/93/799631593.db2.gz NYWTYGNAXAESDB-ZOBORPQBSA-N 2 2 297.399 -0.363 20 0 CBADLP COCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001032472730 799631598 /nfs/dbraw/zinc/63/15/98/799631598.db2.gz NYWTYGNAXAESDB-ZOBORPQBSA-N 2 2 297.399 -0.363 20 0 CBADLP COCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001032472730 799631600 /nfs/dbraw/zinc/63/16/00/799631600.db2.gz NYWTYGNAXAESDB-ZOBORPQBSA-N 2 2 297.399 -0.363 20 0 CBADLP COCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001032472730 799631603 /nfs/dbraw/zinc/63/16/03/799631603.db2.gz NYWTYGNAXAESDB-ZOBORPQBSA-N 2 2 297.399 -0.363 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCOC)C1 ZINC001032792468 799669227 /nfs/dbraw/zinc/66/92/27/799669227.db2.gz CHCMKKRDDOLDQK-MELADBBJSA-N 2 2 297.399 -0.361 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCOC)C1 ZINC001032792468 799669230 /nfs/dbraw/zinc/66/92/30/799669230.db2.gz CHCMKKRDDOLDQK-MELADBBJSA-N 2 2 297.399 -0.361 20 0 CBADLP CC[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCOC)C1 ZINC001032792468 799669234 /nfs/dbraw/zinc/66/92/34/799669234.db2.gz CHCMKKRDDOLDQK-MELADBBJSA-N 2 2 297.399 -0.361 20 0 CBADLP CC[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCOC)C1 ZINC001032792468 799669238 /nfs/dbraw/zinc/66/92/38/799669238.db2.gz CHCMKKRDDOLDQK-MELADBBJSA-N 2 2 297.399 -0.361 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCOC)C1 ZINC001032792467 799669782 /nfs/dbraw/zinc/66/97/82/799669782.db2.gz CHCMKKRDDOLDQK-IHRRRGAJSA-N 2 2 297.399 -0.361 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCOC)C1 ZINC001032792467 799669784 /nfs/dbraw/zinc/66/97/84/799669784.db2.gz CHCMKKRDDOLDQK-IHRRRGAJSA-N 2 2 297.399 -0.361 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCOC)C1 ZINC001032792467 799669787 /nfs/dbraw/zinc/66/97/87/799669787.db2.gz CHCMKKRDDOLDQK-IHRRRGAJSA-N 2 2 297.399 -0.361 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCOC)C1 ZINC001032792467 799669788 /nfs/dbraw/zinc/66/97/88/799669788.db2.gz CHCMKKRDDOLDQK-IHRRRGAJSA-N 2 2 297.399 -0.361 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+]([C@@H]2CCNC2=O)C1 ZINC001032828425 799673447 /nfs/dbraw/zinc/67/34/47/799673447.db2.gz LGCREBQYRICKKA-QJPTWQEYSA-N 2 2 280.372 -0.840 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+]([C@@H]2CCNC2=O)C1 ZINC001032828425 799673450 /nfs/dbraw/zinc/67/34/50/799673450.db2.gz LGCREBQYRICKKA-QJPTWQEYSA-N 2 2 280.372 -0.840 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001032828425 799673455 /nfs/dbraw/zinc/67/34/55/799673455.db2.gz LGCREBQYRICKKA-QJPTWQEYSA-N 2 2 280.372 -0.840 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001032828425 799673459 /nfs/dbraw/zinc/67/34/59/799673459.db2.gz LGCREBQYRICKKA-QJPTWQEYSA-N 2 2 280.372 -0.840 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+]([C@H]2CCNC2=O)C1 ZINC001032828426 799673933 /nfs/dbraw/zinc/67/39/33/799673933.db2.gz LGCREBQYRICKKA-TUAOUCFPSA-N 2 2 280.372 -0.840 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+]([C@H]2CCNC2=O)C1 ZINC001032828426 799673938 /nfs/dbraw/zinc/67/39/38/799673938.db2.gz LGCREBQYRICKKA-TUAOUCFPSA-N 2 2 280.372 -0.840 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001032828426 799673942 /nfs/dbraw/zinc/67/39/42/799673942.db2.gz LGCREBQYRICKKA-TUAOUCFPSA-N 2 2 280.372 -0.840 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001032828426 799673944 /nfs/dbraw/zinc/67/39/44/799673944.db2.gz LGCREBQYRICKKA-TUAOUCFPSA-N 2 2 280.372 -0.840 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001032838152 799677423 /nfs/dbraw/zinc/67/74/23/799677423.db2.gz JGDODAJQHWXLFO-HBNTYKKESA-N 2 2 268.361 -0.855 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001032838152 799677427 /nfs/dbraw/zinc/67/74/27/799677427.db2.gz JGDODAJQHWXLFO-HBNTYKKESA-N 2 2 268.361 -0.855 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001032838152 799677430 /nfs/dbraw/zinc/67/74/30/799677430.db2.gz JGDODAJQHWXLFO-HBNTYKKESA-N 2 2 268.361 -0.855 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001032838152 799677433 /nfs/dbraw/zinc/67/74/33/799677433.db2.gz JGDODAJQHWXLFO-HBNTYKKESA-N 2 2 268.361 -0.855 20 0 CBADLP CN(C)C(=O)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001032959485 799696394 /nfs/dbraw/zinc/69/63/94/799696394.db2.gz HHIBOIMJNIDWGS-QWHCGFSZSA-N 2 2 296.415 -0.299 20 0 CBADLP CN(C)C(=O)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001032959485 799696398 /nfs/dbraw/zinc/69/63/98/799696398.db2.gz HHIBOIMJNIDWGS-QWHCGFSZSA-N 2 2 296.415 -0.299 20 0 CBADLP CN(C)C(=O)C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001032959485 799696401 /nfs/dbraw/zinc/69/64/01/799696401.db2.gz HHIBOIMJNIDWGS-QWHCGFSZSA-N 2 2 296.415 -0.299 20 0 CBADLP CN(C)C(=O)C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001032959485 799696403 /nfs/dbraw/zinc/69/64/03/799696403.db2.gz HHIBOIMJNIDWGS-QWHCGFSZSA-N 2 2 296.415 -0.299 20 0 CBADLP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001032967711 799699063 /nfs/dbraw/zinc/69/90/63/799699063.db2.gz KGWVLOMHODGVCU-QWRGUYRKSA-N 2 2 268.361 -0.901 20 0 CBADLP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001032967711 799699067 /nfs/dbraw/zinc/69/90/67/799699067.db2.gz KGWVLOMHODGVCU-QWRGUYRKSA-N 2 2 268.361 -0.901 20 0 CBADLP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](CC(N)=O)C1 ZINC001032967711 799699071 /nfs/dbraw/zinc/69/90/71/799699071.db2.gz KGWVLOMHODGVCU-QWRGUYRKSA-N 2 2 268.361 -0.901 20 0 CBADLP CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CC[NH+](CC(N)=O)C1 ZINC001032967711 799699072 /nfs/dbraw/zinc/69/90/72/799699072.db2.gz KGWVLOMHODGVCU-QWRGUYRKSA-N 2 2 268.361 -0.901 20 0 CBADLP CN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033083163 799715160 /nfs/dbraw/zinc/71/51/60/799715160.db2.gz VZMMTRCYAOFOLM-STQMWFEESA-N 2 2 294.399 -0.654 20 0 CBADLP CN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033083163 799715165 /nfs/dbraw/zinc/71/51/65/799715165.db2.gz VZMMTRCYAOFOLM-STQMWFEESA-N 2 2 294.399 -0.654 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[NH+](CC(N)=O)C2)CC[N@@H+]1C ZINC001033100019 799715968 /nfs/dbraw/zinc/71/59/68/799715968.db2.gz VKAWAAPAVBLGDZ-RWMBFGLXSA-N 2 2 296.415 -0.265 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[NH+](CC(N)=O)C2)CC[N@H+]1C ZINC001033100019 799715972 /nfs/dbraw/zinc/71/59/72/799715972.db2.gz VKAWAAPAVBLGDZ-RWMBFGLXSA-N 2 2 296.415 -0.265 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[N@H+](CC(N)=O)C2)CC[NH+]1C ZINC001033100019 799715978 /nfs/dbraw/zinc/71/59/78/799715978.db2.gz VKAWAAPAVBLGDZ-RWMBFGLXSA-N 2 2 296.415 -0.265 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](CC(N)=O)C2)CC[NH+]1C ZINC001033100019 799715983 /nfs/dbraw/zinc/71/59/83/799715983.db2.gz VKAWAAPAVBLGDZ-RWMBFGLXSA-N 2 2 296.415 -0.265 20 0 CBADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001033127583 799718664 /nfs/dbraw/zinc/71/86/64/799718664.db2.gz WGKAUYQCMJYPQQ-CHWSQXEVSA-N 2 2 296.415 -0.121 20 0 CBADLP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001033127583 799718667 /nfs/dbraw/zinc/71/86/67/799718667.db2.gz WGKAUYQCMJYPQQ-CHWSQXEVSA-N 2 2 296.415 -0.121 20 0 CBADLP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033127583 799718672 /nfs/dbraw/zinc/71/86/72/799718672.db2.gz WGKAUYQCMJYPQQ-CHWSQXEVSA-N 2 2 296.415 -0.121 20 0 CBADLP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033127583 799718676 /nfs/dbraw/zinc/71/86/76/799718676.db2.gz WGKAUYQCMJYPQQ-CHWSQXEVSA-N 2 2 296.415 -0.121 20 0 CBADLP CN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)[C@@H]1CC[N@H+](CCO)C1 ZINC001033205388 799726035 /nfs/dbraw/zinc/72/60/35/799726035.db2.gz FROIEPJVPOHKBA-CHWSQXEVSA-N 2 2 292.383 -0.030 20 0 CBADLP CN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)[C@@H]1CC[N@@H+](CCO)C1 ZINC001033205388 799726042 /nfs/dbraw/zinc/72/60/42/799726042.db2.gz FROIEPJVPOHKBA-CHWSQXEVSA-N 2 2 292.383 -0.030 20 0 CBADLP CN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033391284 799750040 /nfs/dbraw/zinc/75/00/40/799750040.db2.gz QRBKQTASGULVGL-LBPRGKRZSA-N 2 2 282.388 -0.654 20 0 CBADLP CN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033391284 799750044 /nfs/dbraw/zinc/75/00/44/799750044.db2.gz QRBKQTASGULVGL-LBPRGKRZSA-N 2 2 282.388 -0.654 20 0 CBADLP CN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001033658219 799775318 /nfs/dbraw/zinc/77/53/18/799775318.db2.gz RYJLGKYAYCXORR-CHWSQXEVSA-N 2 2 294.399 -0.497 20 0 CBADLP CN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001033658219 799775328 /nfs/dbraw/zinc/77/53/28/799775328.db2.gz RYJLGKYAYCXORR-CHWSQXEVSA-N 2 2 294.399 -0.497 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N(C)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033659249 799778055 /nfs/dbraw/zinc/77/80/55/799778055.db2.gz WNSRSGOVRSFQCJ-LLVKDONJSA-N 2 2 279.344 -0.790 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N(C)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033659249 799778060 /nfs/dbraw/zinc/77/80/60/799778060.db2.gz WNSRSGOVRSFQCJ-LLVKDONJSA-N 2 2 279.344 -0.790 20 0 CBADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CC[N@H+](CCCO)C1 ZINC001033789014 799789681 /nfs/dbraw/zinc/78/96/81/799789681.db2.gz LSSSIZSXPNGZQG-KBPBESRZSA-N 2 2 299.415 -0.378 20 0 CBADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CC[N@@H+](CCCO)C1 ZINC001033789014 799789684 /nfs/dbraw/zinc/78/96/84/799789684.db2.gz LSSSIZSXPNGZQG-KBPBESRZSA-N 2 2 299.415 -0.378 20 0 CBADLP CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@H]1CC[NH+](CCCO)C1 ZINC001033789014 799789687 /nfs/dbraw/zinc/78/96/87/799789687.db2.gz LSSSIZSXPNGZQG-KBPBESRZSA-N 2 2 299.415 -0.378 20 0 CBADLP CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@H]1CC[NH+](CCCO)C1 ZINC001033789014 799789692 /nfs/dbraw/zinc/78/96/92/799789692.db2.gz LSSSIZSXPNGZQG-KBPBESRZSA-N 2 2 299.415 -0.378 20 0 CBADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CC[N@H+](CCOC)C1 ZINC001033788641 799789885 /nfs/dbraw/zinc/78/98/85/799789885.db2.gz JGRNMRYQPCTRGL-KBPBESRZSA-N 2 2 299.415 -0.114 20 0 CBADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CC[N@@H+](CCOC)C1 ZINC001033788641 799789889 /nfs/dbraw/zinc/78/98/89/799789889.db2.gz JGRNMRYQPCTRGL-KBPBESRZSA-N 2 2 299.415 -0.114 20 0 CBADLP CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@H]1CC[NH+](CCOC)C1 ZINC001033788641 799789895 /nfs/dbraw/zinc/78/98/95/799789895.db2.gz JGRNMRYQPCTRGL-KBPBESRZSA-N 2 2 299.415 -0.114 20 0 CBADLP CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@H]1CC[NH+](CCOC)C1 ZINC001033788641 799789897 /nfs/dbraw/zinc/78/98/97/799789897.db2.gz JGRNMRYQPCTRGL-KBPBESRZSA-N 2 2 299.415 -0.114 20 0 CBADLP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+](CC(=O)NC)C1 ZINC001033775795 799790134 /nfs/dbraw/zinc/79/01/34/799790134.db2.gz MYUWSPDMWYYXOD-STQMWFEESA-N 2 2 296.415 -0.251 20 0 CBADLP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001033775795 799790138 /nfs/dbraw/zinc/79/01/38/799790138.db2.gz MYUWSPDMWYYXOD-STQMWFEESA-N 2 2 296.415 -0.251 20 0 CBADLP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](CC(=O)NC)C1 ZINC001033775795 799790143 /nfs/dbraw/zinc/79/01/43/799790143.db2.gz MYUWSPDMWYYXOD-STQMWFEESA-N 2 2 296.415 -0.251 20 0 CBADLP CCN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CC[NH+](CC(=O)NC)C1 ZINC001033775795 799790147 /nfs/dbraw/zinc/79/01/47/799790147.db2.gz MYUWSPDMWYYXOD-STQMWFEESA-N 2 2 296.415 -0.251 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCCC[NH+](CCO)C2)C1 ZINC001034149210 799816612 /nfs/dbraw/zinc/81/66/12/799816612.db2.gz TXQNVJDXGMZYSU-STQMWFEESA-N 2 2 285.388 -0.720 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N[C@H]2CCCC[NH+](CCO)C2)C1 ZINC001034149210 799816615 /nfs/dbraw/zinc/81/66/15/799816615.db2.gz TXQNVJDXGMZYSU-STQMWFEESA-N 2 2 285.388 -0.720 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N[C@H]2CCCC[N@H+](CCO)C2)C1 ZINC001034149210 799816619 /nfs/dbraw/zinc/81/66/19/799816619.db2.gz TXQNVJDXGMZYSU-STQMWFEESA-N 2 2 285.388 -0.720 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N[C@H]2CCCC[N@@H+](CCO)C2)C1 ZINC001034149210 799816624 /nfs/dbraw/zinc/81/66/24/799816624.db2.gz TXQNVJDXGMZYSU-STQMWFEESA-N 2 2 285.388 -0.720 20 0 CBADLP COCC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001034148936 799817074 /nfs/dbraw/zinc/81/70/74/799817074.db2.gz QPLSTWFLAVOODC-ZIAGYGMSSA-N 2 2 299.415 -0.066 20 0 CBADLP COCC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001034148936 799817087 /nfs/dbraw/zinc/81/70/87/799817087.db2.gz QPLSTWFLAVOODC-ZIAGYGMSSA-N 2 2 299.415 -0.066 20 0 CBADLP COCC[NH+]1CCCC[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001034148936 799817092 /nfs/dbraw/zinc/81/70/92/799817092.db2.gz QPLSTWFLAVOODC-ZIAGYGMSSA-N 2 2 299.415 -0.066 20 0 CBADLP COCC[NH+]1CCCC[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001034148936 799817096 /nfs/dbraw/zinc/81/70/96/799817096.db2.gz QPLSTWFLAVOODC-ZIAGYGMSSA-N 2 2 299.415 -0.066 20 0 CBADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CC(N)=O)C1 ZINC001034272829 799826301 /nfs/dbraw/zinc/82/63/01/799826301.db2.gz WYOCQACAIVCHDN-OLZOCXBDSA-N 2 2 296.415 -0.073 20 0 CBADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CC(N)=O)C1 ZINC001034272829 799826305 /nfs/dbraw/zinc/82/63/05/799826305.db2.gz WYOCQACAIVCHDN-OLZOCXBDSA-N 2 2 296.415 -0.073 20 0 CBADLP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CC(N)=O)C1 ZINC001034272829 799826309 /nfs/dbraw/zinc/82/63/09/799826309.db2.gz WYOCQACAIVCHDN-OLZOCXBDSA-N 2 2 296.415 -0.073 20 0 CBADLP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CC(N)=O)C1 ZINC001034272829 799826316 /nfs/dbraw/zinc/82/63/16/799826316.db2.gz WYOCQACAIVCHDN-OLZOCXBDSA-N 2 2 296.415 -0.073 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[N@H+](CC(N)=O)C1 ZINC001034310334 799828735 /nfs/dbraw/zinc/82/87/35/799828735.db2.gz WLEUSCWDAZFMJD-GFCCVEGCSA-N 2 2 293.371 -0.352 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[N@@H+](CC(N)=O)C1 ZINC001034310334 799828739 /nfs/dbraw/zinc/82/87/39/799828739.db2.gz WLEUSCWDAZFMJD-GFCCVEGCSA-N 2 2 293.371 -0.352 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@H]1CCCC[N@@H+](CCO)C1 ZINC001034548287 799846746 /nfs/dbraw/zinc/84/67/46/799846746.db2.gz BUBDXNZNPVYMQK-LBPRGKRZSA-N 2 2 266.345 -0.154 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@H]1CCCC[N@H+](CCO)C1 ZINC001034548287 799846754 /nfs/dbraw/zinc/84/67/54/799846754.db2.gz BUBDXNZNPVYMQK-LBPRGKRZSA-N 2 2 266.345 -0.154 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[C@H]([NH2+]CC(N)=O)CC1 ZINC001034775466 799856518 /nfs/dbraw/zinc/85/65/18/799856518.db2.gz AELZEKAMNXXGGN-XYPYZODXSA-N 2 2 293.371 -0.535 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CCC[C@@H]1C[NH2+][C@@H]1CCNC1=O ZINC001035141662 799870352 /nfs/dbraw/zinc/87/03/52/799870352.db2.gz FQPBGNKUGPYZPL-VXGBXAGGSA-N 2 2 291.355 -0.648 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[NH+](CCCO)CCO1 ZINC001035313066 799888671 /nfs/dbraw/zinc/88/86/71/799888671.db2.gz MHDJAMHXTHMGHK-QWHCGFSZSA-N 2 2 285.388 -0.720 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[NH+](CCCO)CCO1 ZINC001035313066 799888679 /nfs/dbraw/zinc/88/86/79/799888679.db2.gz MHDJAMHXTHMGHK-QWHCGFSZSA-N 2 2 285.388 -0.720 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1C[N@H+](CCCO)CCO1 ZINC001035313066 799888687 /nfs/dbraw/zinc/88/86/87/799888687.db2.gz MHDJAMHXTHMGHK-QWHCGFSZSA-N 2 2 285.388 -0.720 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1C[N@@H+](CCCO)CCO1 ZINC001035313066 799888690 /nfs/dbraw/zinc/88/86/90/799888690.db2.gz MHDJAMHXTHMGHK-QWHCGFSZSA-N 2 2 285.388 -0.720 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2C[NH+](CC3CC3)CCO2)C1 ZINC001035325841 799891397 /nfs/dbraw/zinc/89/13/97/799891397.db2.gz DCAQCQXFVQNNMN-UONOGXRCSA-N 2 2 297.399 -0.456 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2C[NH+](CC3CC3)CCO2)C1 ZINC001035325841 799891404 /nfs/dbraw/zinc/89/14/04/799891404.db2.gz DCAQCQXFVQNNMN-UONOGXRCSA-N 2 2 297.399 -0.456 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)NC[C@H]2C[N@H+](CC3CC3)CCO2)C1 ZINC001035325841 799891410 /nfs/dbraw/zinc/89/14/10/799891410.db2.gz DCAQCQXFVQNNMN-UONOGXRCSA-N 2 2 297.399 -0.456 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)NC[C@H]2C[N@@H+](CC3CC3)CCO2)C1 ZINC001035325841 799891418 /nfs/dbraw/zinc/89/14/18/799891418.db2.gz DCAQCQXFVQNNMN-UONOGXRCSA-N 2 2 297.399 -0.456 20 0 CBADLP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCO)CCO1 ZINC001035390010 799911877 /nfs/dbraw/zinc/91/18/77/799911877.db2.gz UVHYSNPWHSCNOH-KGLIPLIRSA-N 2 2 299.415 -0.330 20 0 CBADLP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCO)CCO1 ZINC001035390010 799911880 /nfs/dbraw/zinc/91/18/80/799911880.db2.gz UVHYSNPWHSCNOH-KGLIPLIRSA-N 2 2 299.415 -0.330 20 0 CBADLP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001035390010 799911884 /nfs/dbraw/zinc/91/18/84/799911884.db2.gz UVHYSNPWHSCNOH-KGLIPLIRSA-N 2 2 299.415 -0.330 20 0 CBADLP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001035390010 799911888 /nfs/dbraw/zinc/91/18/88/799911888.db2.gz UVHYSNPWHSCNOH-KGLIPLIRSA-N 2 2 299.415 -0.330 20 0 CBADLP CC(C)[N@@H+]1CCO[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001035409162 799915767 /nfs/dbraw/zinc/91/57/67/799915767.db2.gz WFIDDVZOQIEMPP-MGPQQGTHSA-N 2 2 299.415 -0.069 20 0 CBADLP CC(C)[N@H+]1CCO[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001035409162 799915773 /nfs/dbraw/zinc/91/57/73/799915773.db2.gz WFIDDVZOQIEMPP-MGPQQGTHSA-N 2 2 299.415 -0.069 20 0 CBADLP CC(C)[NH+]1CCO[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001035409162 799915779 /nfs/dbraw/zinc/91/57/79/799915779.db2.gz WFIDDVZOQIEMPP-MGPQQGTHSA-N 2 2 299.415 -0.069 20 0 CBADLP CC(C)[NH+]1CCO[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001035409162 799915783 /nfs/dbraw/zinc/91/57/83/799915783.db2.gz WFIDDVZOQIEMPP-MGPQQGTHSA-N 2 2 299.415 -0.069 20 0 CBADLP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCCO)CCO1 ZINC001035418209 799917255 /nfs/dbraw/zinc/91/72/55/799917255.db2.gz WXHWQCQCDXRXRH-KGLIPLIRSA-N 2 2 299.415 -0.330 20 0 CBADLP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCCO)CCO1 ZINC001035418209 799917260 /nfs/dbraw/zinc/91/72/60/799917260.db2.gz WXHWQCQCDXRXRH-KGLIPLIRSA-N 2 2 299.415 -0.330 20 0 CBADLP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCCO)CCO1 ZINC001035418209 799917266 /nfs/dbraw/zinc/91/72/66/799917266.db2.gz WXHWQCQCDXRXRH-KGLIPLIRSA-N 2 2 299.415 -0.330 20 0 CBADLP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCCO)CCO1 ZINC001035418209 799917270 /nfs/dbraw/zinc/91/72/70/799917270.db2.gz WXHWQCQCDXRXRH-KGLIPLIRSA-N 2 2 299.415 -0.330 20 0 CBADLP COCC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001035613330 799953945 /nfs/dbraw/zinc/95/39/45/799953945.db2.gz IPZBMPCMIJURKG-QWHCGFSZSA-N 2 2 285.388 -0.599 20 0 CBADLP COCC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001035613330 799953949 /nfs/dbraw/zinc/95/39/49/799953949.db2.gz IPZBMPCMIJURKG-QWHCGFSZSA-N 2 2 285.388 -0.599 20 0 CBADLP COCC[NH+]1CCO[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001035613330 799953954 /nfs/dbraw/zinc/95/39/54/799953954.db2.gz IPZBMPCMIJURKG-QWHCGFSZSA-N 2 2 285.388 -0.599 20 0 CBADLP COCC[NH+]1CCO[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001035613330 799953960 /nfs/dbraw/zinc/95/39/60/799953960.db2.gz IPZBMPCMIJURKG-QWHCGFSZSA-N 2 2 285.388 -0.599 20 0 CBADLP C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[C@H]1[NH2+]CC(N)=O ZINC001036044434 799974445 /nfs/dbraw/zinc/97/44/45/799974445.db2.gz BDKVTZDPAVFDFJ-CMPLNLGQSA-N 2 2 293.371 -0.346 20 0 CBADLP C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[C@H]1[NH2+]CC(N)=O ZINC001036044434 799974452 /nfs/dbraw/zinc/97/44/52/799974452.db2.gz BDKVTZDPAVFDFJ-CMPLNLGQSA-N 2 2 293.371 -0.346 20 0 CBADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@@H]1[NH2+]CC(N)=O ZINC001036234894 799984180 /nfs/dbraw/zinc/98/41/80/799984180.db2.gz CSZFZGKVAMSEFK-ZJUUUORDSA-N 2 2 279.344 -0.736 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@H]2[C@@H](CC[N@H+]2CCO)C1 ZINC001036854141 800009963 /nfs/dbraw/zinc/00/99/63/800009963.db2.gz GOHKCFOGJCGXAJ-RYUDHWBXSA-N 2 2 278.356 -0.133 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@H]2[C@@H](CC[N@@H+]2CCO)C1 ZINC001036854141 800009968 /nfs/dbraw/zinc/00/99/68/800009968.db2.gz GOHKCFOGJCGXAJ-RYUDHWBXSA-N 2 2 278.356 -0.133 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2CCO)C1 ZINC001036869873 800012800 /nfs/dbraw/zinc/01/28/00/800012800.db2.gz LKXLHASVJWRPNX-OCCSQVGLSA-N 2 2 292.383 -0.122 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2[C@H](CC[N@H+]2CCO)C1 ZINC001036869873 800012807 /nfs/dbraw/zinc/01/28/07/800012807.db2.gz LKXLHASVJWRPNX-OCCSQVGLSA-N 2 2 292.383 -0.122 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2[C@H](CC[N@H+]2CCO)C1 ZINC001036910816 800013534 /nfs/dbraw/zinc/01/35/34/800013534.db2.gz ZZMKNTQCRJDMIQ-OLZOCXBDSA-N 2 2 278.356 -0.202 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2[C@H](CC[N@@H+]2CCO)C1 ZINC001036910816 800013539 /nfs/dbraw/zinc/01/35/39/800013539.db2.gz ZZMKNTQCRJDMIQ-OLZOCXBDSA-N 2 2 278.356 -0.202 20 0 CBADLP COCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001038134132 800061034 /nfs/dbraw/zinc/06/10/34/800061034.db2.gz DYQMZZSZBNSYQB-VXGBXAGGSA-N 2 2 271.361 -0.846 20 0 CBADLP COCC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001038134132 800061042 /nfs/dbraw/zinc/06/10/42/800061042.db2.gz DYQMZZSZBNSYQB-VXGBXAGGSA-N 2 2 271.361 -0.846 20 0 CBADLP COCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001038134132 800061047 /nfs/dbraw/zinc/06/10/47/800061047.db2.gz DYQMZZSZBNSYQB-VXGBXAGGSA-N 2 2 271.361 -0.846 20 0 CBADLP COCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001038134132 800061057 /nfs/dbraw/zinc/06/10/57/800061057.db2.gz DYQMZZSZBNSYQB-VXGBXAGGSA-N 2 2 271.361 -0.846 20 0 CBADLP O=C(NC[C@H]1CC[N@H+]1CCO)[C@@H]1CCn2c[nH+]cc2C1 ZINC001038420375 800109075 /nfs/dbraw/zinc/10/90/75/800109075.db2.gz YTFDSHBNDZJTMY-VXGBXAGGSA-N 2 2 278.356 -0.372 20 0 CBADLP O=C(NC[C@H]1CC[N@@H+]1CCO)[C@@H]1CCn2c[nH+]cc2C1 ZINC001038420375 800109081 /nfs/dbraw/zinc/10/90/81/800109081.db2.gz YTFDSHBNDZJTMY-VXGBXAGGSA-N 2 2 278.356 -0.372 20 0 CBADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)NC[C@H]1CC[N@@H+]1CCO)C2 ZINC001038697382 801238743 /nfs/dbraw/zinc/23/87/43/801238743.db2.gz WVGDSLJYJKBKAR-CHWSQXEVSA-N 2 2 292.383 -0.063 20 0 CBADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)NC[C@H]1CC[N@H+]1CCO)C2 ZINC001038697382 801238747 /nfs/dbraw/zinc/23/87/47/801238747.db2.gz WVGDSLJYJKBKAR-CHWSQXEVSA-N 2 2 292.383 -0.063 20 0 CBADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CCO ZINC001038716591 801241716 /nfs/dbraw/zinc/24/17/16/801241716.db2.gz NPEQWPIBXMATEK-IJLUTSLNSA-N 2 2 278.356 -0.294 20 0 CBADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1CC[N@H+]1CCO ZINC001038716591 801241728 /nfs/dbraw/zinc/24/17/28/801241728.db2.gz NPEQWPIBXMATEK-IJLUTSLNSA-N 2 2 278.356 -0.294 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[NH+]3CCO)C1 ZINC001039536911 801297714 /nfs/dbraw/zinc/29/77/14/801297714.db2.gz LWMRDQMVRAUSRD-MJBXVCDLSA-N 2 2 297.399 -0.625 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[NH+]3CCO)C1 ZINC001039536911 801297720 /nfs/dbraw/zinc/29/77/20/801297720.db2.gz LWMRDQMVRAUSRD-MJBXVCDLSA-N 2 2 297.399 -0.625 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3CCO)C1 ZINC001039536911 801297723 /nfs/dbraw/zinc/29/77/23/801297723.db2.gz LWMRDQMVRAUSRD-MJBXVCDLSA-N 2 2 297.399 -0.625 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3CCO)C1 ZINC001039536911 801297728 /nfs/dbraw/zinc/29/77/28/801297728.db2.gz LWMRDQMVRAUSRD-MJBXVCDLSA-N 2 2 297.399 -0.625 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@]2(CC[N@@H+](CCO)C2)C1 ZINC001041758960 801419060 /nfs/dbraw/zinc/41/90/60/801419060.db2.gz OFKXRBFPAOVOBL-AWEZNQCLSA-N 2 2 278.356 -0.131 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@]2(CC[N@H+](CCO)C2)C1 ZINC001041758960 801419063 /nfs/dbraw/zinc/41/90/63/801419063.db2.gz OFKXRBFPAOVOBL-AWEZNQCLSA-N 2 2 278.356 -0.131 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2CC[N@@H+](CCO)[C@@H]2C1 ZINC001042251596 801454020 /nfs/dbraw/zinc/45/40/20/801454020.db2.gz ZVMNTOIHGGDQNE-DGCLKSJQSA-N 2 2 278.356 -0.133 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2CC[N@H+](CCO)[C@@H]2C1 ZINC001042251596 801454027 /nfs/dbraw/zinc/45/40/27/801454027.db2.gz ZVMNTOIHGGDQNE-DGCLKSJQSA-N 2 2 278.356 -0.133 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H]2CC[N@@H+](CCO)[C@H]2C1 ZINC001042251595 801454939 /nfs/dbraw/zinc/45/49/39/801454939.db2.gz ZVMNTOIHGGDQNE-AAEUAGOBSA-N 2 2 278.356 -0.133 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H]2CC[N@H+](CCO)[C@H]2C1 ZINC001042251595 801454947 /nfs/dbraw/zinc/45/49/47/801454947.db2.gz ZVMNTOIHGGDQNE-AAEUAGOBSA-N 2 2 278.356 -0.133 20 0 CBADLP NC(=O)C[N@@H+]1CC[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC001042380971 801460120 /nfs/dbraw/zinc/46/01/20/801460120.db2.gz XKVRTYPXCCLFEC-RYUDHWBXSA-N 2 2 291.355 -0.709 20 0 CBADLP NC(=O)C[N@H+]1CC[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC001042380971 801460122 /nfs/dbraw/zinc/46/01/22/801460122.db2.gz XKVRTYPXCCLFEC-RYUDHWBXSA-N 2 2 291.355 -0.709 20 0 CBADLP NC(=O)C[N@@H+]1CC[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC001042380968 801460703 /nfs/dbraw/zinc/46/07/03/801460703.db2.gz XKVRTYPXCCLFEC-NWDGAFQWSA-N 2 2 291.355 -0.709 20 0 CBADLP NC(=O)C[N@H+]1CC[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC001042380968 801460708 /nfs/dbraw/zinc/46/07/08/801460708.db2.gz XKVRTYPXCCLFEC-NWDGAFQWSA-N 2 2 291.355 -0.709 20 0 CBADLP C[C@H](O)C[NH+]1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001042545553 801488318 /nfs/dbraw/zinc/48/83/18/801488318.db2.gz FESZYOXZPWLYFQ-CMPLNLGQSA-N 2 2 255.362 -0.396 20 0 CBADLP C[C@H](O)C[NH+]1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001042545553 801488324 /nfs/dbraw/zinc/48/83/24/801488324.db2.gz FESZYOXZPWLYFQ-CMPLNLGQSA-N 2 2 255.362 -0.396 20 0 CBADLP CN(C(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C1C[NH+](CCCO)C1 ZINC001042756917 801517848 /nfs/dbraw/zinc/51/78/48/801517848.db2.gz WFZGJVDLDAUKCW-JSGCOSHPSA-N 2 2 297.399 -0.625 20 0 CBADLP CN(C(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1)C1C[NH+](CCCO)C1 ZINC001042756917 801517851 /nfs/dbraw/zinc/51/78/51/801517851.db2.gz WFZGJVDLDAUKCW-JSGCOSHPSA-N 2 2 297.399 -0.625 20 0 CBADLP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)C1C[NH+](CCCO)C1 ZINC001043100309 801541101 /nfs/dbraw/zinc/54/11/01/801541101.db2.gz WZCRPPQJYMENOM-ZDUSSCGKSA-N 2 2 269.389 -0.004 20 0 CBADLP CN(C(=O)[C@@H]1CCCC[N@H+]1C)C1C[NH+](CCCO)C1 ZINC001043100309 801541109 /nfs/dbraw/zinc/54/11/09/801541109.db2.gz WZCRPPQJYMENOM-ZDUSSCGKSA-N 2 2 269.389 -0.004 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N(C)C1C[NH+](C[C@H](C)O)C1 ZINC001043358697 801558299 /nfs/dbraw/zinc/55/82/99/801558299.db2.gz ZIPAOSTZGLGLFW-NSHDSACASA-N 2 2 266.345 -0.285 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N(C)C1C[NH+](CCCO)C1 ZINC001043358351 801558716 /nfs/dbraw/zinc/55/87/16/801558716.db2.gz UXZCBHHDJKICFZ-UHFFFAOYSA-N 2 2 266.345 -0.283 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N(C)C1C[NH+](CCO)C1 ZINC001043357797 801558991 /nfs/dbraw/zinc/55/89/91/801558991.db2.gz NLDYKNXSGREKCK-UHFFFAOYSA-N 2 2 252.318 -0.674 20 0 CBADLP CC(C)[N@H+]1CCO[C@H](C(=O)N(C)C2C[NH+](C[C@H](C)O)C2)C1 ZINC001043629007 801579724 /nfs/dbraw/zinc/57/97/24/801579724.db2.gz NIHAKUZIJKMRFH-JSGCOSHPSA-N 2 2 299.415 -0.381 20 0 CBADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N(C)C2C[NH+](C[C@H](C)O)C2)C1 ZINC001043629007 801579732 /nfs/dbraw/zinc/57/97/32/801579732.db2.gz NIHAKUZIJKMRFH-JSGCOSHPSA-N 2 2 299.415 -0.381 20 0 CBADLP C[C@H]1C[C@@H](C(=O)N(C)C2C[NH+](CCO)C2)CC[N@@H+]1C ZINC001043642651 801580725 /nfs/dbraw/zinc/58/07/25/801580725.db2.gz XEFDUGBGGXQCPH-RYUDHWBXSA-N 2 2 269.389 -0.148 20 0 CBADLP C[C@H]1C[C@@H](C(=O)N(C)C2C[NH+](CCO)C2)CC[N@H+]1C ZINC001043642651 801580730 /nfs/dbraw/zinc/58/07/30/801580730.db2.gz XEFDUGBGGXQCPH-RYUDHWBXSA-N 2 2 269.389 -0.148 20 0 CBADLP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N(C)C1C[NH+](CCO)C1 ZINC001043883545 801599387 /nfs/dbraw/zinc/59/93/87/801599387.db2.gz YBAITYBHOOCHTH-JQWIXIFHSA-N 2 2 255.362 -0.681 20 0 CBADLP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)C1C[NH+](CCO)C1 ZINC001043883545 801599391 /nfs/dbraw/zinc/59/93/91/801599391.db2.gz YBAITYBHOOCHTH-JQWIXIFHSA-N 2 2 255.362 -0.681 20 0 CBADLP C[C@H](O)C[NH+]1CC(N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001044190444 801626809 /nfs/dbraw/zinc/62/68/09/801626809.db2.gz AZROPRZTMLLBIH-NSHDSACASA-N 2 2 267.373 -0.394 20 0 CBADLP C[C@@H]1C[C@H]([NH2+]CC(N)=O)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001044579579 801657667 /nfs/dbraw/zinc/65/76/67/801657667.db2.gz JEOSFWBAESFAOH-GHMZBOCLSA-N 2 2 293.371 -0.203 20 0 CBADLP C[C@@H]1C[C@H]([NH2+]CCO)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001044753733 801667456 /nfs/dbraw/zinc/66/74/56/801667456.db2.gz FHEREYFOAJOGAA-GHMZBOCLSA-N 2 2 266.345 -0.086 20 0 CBADLP C[C@@H]1C[C@H]([NH2+]CC(N)=O)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001044750457 801667952 /nfs/dbraw/zinc/66/79/52/801667952.db2.gz OQNYJFRQADMXPU-NXEZZACHSA-N 2 2 279.344 -0.593 20 0 CBADLP C[C@H]1C[C@@H]([NH2+]CC(N)=O)CCN1C(=O)Cc1c[nH+]cn1C ZINC001044819278 801671576 /nfs/dbraw/zinc/67/15/76/801671576.db2.gz JVNHPCKDDCJEFM-QWRGUYRKSA-N 2 2 293.371 -0.583 20 0 CBADLP C[C@@H]1C[C@H]([NH2+]CCO)CCN1C(=O)Cn1cc[nH+]c1 ZINC001044879916 801675008 /nfs/dbraw/zinc/67/50/08/801675008.db2.gz WHWUIWIAFLXADZ-VXGBXAGGSA-N 2 2 266.345 -0.156 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCO ZINC001045899942 801715315 /nfs/dbraw/zinc/71/53/15/801715315.db2.gz STRLNIHJCIIECK-OLZOCXBDSA-N 2 2 278.356 -0.059 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCO ZINC001045899942 801715317 /nfs/dbraw/zinc/71/53/17/801715317.db2.gz STRLNIHJCIIECK-OLZOCXBDSA-N 2 2 278.356 -0.059 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001046191053 801737214 /nfs/dbraw/zinc/73/72/14/801737214.db2.gz YNCIXIBBUIOHAI-RISCZKNCSA-N 2 2 282.388 -0.593 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001046191053 801737220 /nfs/dbraw/zinc/73/72/20/801737220.db2.gz YNCIXIBBUIOHAI-RISCZKNCSA-N 2 2 282.388 -0.593 20 0 CBADLP CNC(=O)C[NH+]1CC[C@](C)(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001046191053 801737224 /nfs/dbraw/zinc/73/72/24/801737224.db2.gz YNCIXIBBUIOHAI-RISCZKNCSA-N 2 2 282.388 -0.593 20 0 CBADLP CNC(=O)C[NH+]1CC[C@](C)(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001046191053 801737228 /nfs/dbraw/zinc/73/72/28/801737228.db2.gz YNCIXIBBUIOHAI-RISCZKNCSA-N 2 2 282.388 -0.593 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@]2(C)CC[NH+](CCCO)C2)C1 ZINC001046216367 801739989 /nfs/dbraw/zinc/73/99/89/801739989.db2.gz AZWAOIMEEKIRKN-OCCSQVGLSA-N 2 2 285.388 -0.720 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@]2(C)CC[NH+](CCCO)C2)C1 ZINC001046216367 801739994 /nfs/dbraw/zinc/73/99/94/801739994.db2.gz AZWAOIMEEKIRKN-OCCSQVGLSA-N 2 2 285.388 -0.720 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)N[C@@]2(C)CC[N@H+](CCCO)C2)C1 ZINC001046216367 801739999 /nfs/dbraw/zinc/73/99/99/801739999.db2.gz AZWAOIMEEKIRKN-OCCSQVGLSA-N 2 2 285.388 -0.720 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)N[C@@]2(C)CC[N@@H+](CCCO)C2)C1 ZINC001046216367 801740006 /nfs/dbraw/zinc/74/00/06/801740006.db2.gz AZWAOIMEEKIRKN-OCCSQVGLSA-N 2 2 285.388 -0.720 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001046558981 801774545 /nfs/dbraw/zinc/77/45/45/801774545.db2.gz WNZOJZJVSGLSFN-SWLSCSKDSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001046558981 801774551 /nfs/dbraw/zinc/77/45/51/801774551.db2.gz WNZOJZJVSGLSFN-SWLSCSKDSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001046558981 801774557 /nfs/dbraw/zinc/77/45/57/801774557.db2.gz WNZOJZJVSGLSFN-SWLSCSKDSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001046558981 801774563 /nfs/dbraw/zinc/77/45/63/801774563.db2.gz WNZOJZJVSGLSFN-SWLSCSKDSA-N 2 2 296.415 -0.203 20 0 CBADLP CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001047333611 801841568 /nfs/dbraw/zinc/84/15/68/801841568.db2.gz LRBYJSSPBRZJOG-RWMBFGLXSA-N 2 2 285.388 -0.770 20 0 CBADLP CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001047333611 801841576 /nfs/dbraw/zinc/84/15/76/801841576.db2.gz LRBYJSSPBRZJOG-RWMBFGLXSA-N 2 2 285.388 -0.770 20 0 CBADLP CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001047333611 801841560 /nfs/dbraw/zinc/84/15/60/801841560.db2.gz LRBYJSSPBRZJOG-RWMBFGLXSA-N 2 2 285.388 -0.770 20 0 CBADLP CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001047333611 801841583 /nfs/dbraw/zinc/84/15/83/801841583.db2.gz LRBYJSSPBRZJOG-RWMBFGLXSA-N 2 2 285.388 -0.770 20 0 CBADLP CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001047545710 801898545 /nfs/dbraw/zinc/89/85/45/801898545.db2.gz WDBQJNDJJZPXNL-RYUDHWBXSA-N 2 2 266.345 -0.134 20 0 CBADLP CN(C(=O)C[C@@H]1CC[NH+](C)C1)[C@H]1C[N@H+](CCF)C[C@@H]1O ZINC001047596308 801907909 /nfs/dbraw/zinc/90/79/09/801907909.db2.gz QDQUMKSDRKOGLR-AVGNSLFASA-N 2 2 287.379 -0.199 20 0 CBADLP CN(C(=O)C[C@@H]1CC[NH+](C)C1)[C@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001047596308 801907913 /nfs/dbraw/zinc/90/79/13/801907913.db2.gz QDQUMKSDRKOGLR-AVGNSLFASA-N 2 2 287.379 -0.199 20 0 CBADLP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)[C@H]1C[NH+](CCF)C[C@@H]1O ZINC001047596308 801907919 /nfs/dbraw/zinc/90/79/19/801907919.db2.gz QDQUMKSDRKOGLR-AVGNSLFASA-N 2 2 287.379 -0.199 20 0 CBADLP CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)[C@H]1C[NH+](CCF)C[C@@H]1O ZINC001047596308 801907923 /nfs/dbraw/zinc/90/79/23/801907923.db2.gz QDQUMKSDRKOGLR-AVGNSLFASA-N 2 2 287.379 -0.199 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001047611823 801912137 /nfs/dbraw/zinc/91/21/37/801912137.db2.gz LGAOOJRLSPIWKR-STQMWFEESA-N 2 2 296.371 -0.853 20 0 CBADLP COCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001047646542 801917174 /nfs/dbraw/zinc/91/71/74/801917174.db2.gz GSYYYPMVDOULLN-RYUDHWBXSA-N 2 2 282.344 -0.967 20 0 CBADLP COCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001047646542 801917178 /nfs/dbraw/zinc/91/71/78/801917178.db2.gz GSYYYPMVDOULLN-RYUDHWBXSA-N 2 2 282.344 -0.967 20 0 CBADLP NC(=O)C[N@H+]1C[C@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]2C1 ZINC001048791933 801966398 /nfs/dbraw/zinc/96/63/98/801966398.db2.gz CAWIDJCYUTWMNQ-PHIMTYICSA-N 2 2 291.355 -0.782 20 0 CBADLP NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]2C1 ZINC001048791933 801966401 /nfs/dbraw/zinc/96/64/01/801966401.db2.gz CAWIDJCYUTWMNQ-PHIMTYICSA-N 2 2 291.355 -0.782 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)N1C[C@@H]2C[N@@H+](CCO)C[C@@H]2C1 ZINC001048954645 801981929 /nfs/dbraw/zinc/98/19/29/801981929.db2.gz WRXKRARXUJFNTO-BETUJISGSA-N 2 2 292.383 -0.265 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)N1C[C@@H]2C[N@H+](CCO)C[C@@H]2C1 ZINC001048954645 801981935 /nfs/dbraw/zinc/98/19/35/801981935.db2.gz WRXKRARXUJFNTO-BETUJISGSA-N 2 2 292.383 -0.265 20 0 CBADLP O=C(CCn1cc[nH+]c1)N1C[C@@H]2C[N@H+](CCO)C[C@@H]2C1 ZINC001048970439 801984399 /nfs/dbraw/zinc/98/43/99/801984399.db2.gz ONEAVSLQVFTABN-BETUJISGSA-N 2 2 278.356 -0.344 20 0 CBADLP O=C(CCn1cc[nH+]c1)N1C[C@@H]2C[N@@H+](CCO)C[C@@H]2C1 ZINC001048970439 801984402 /nfs/dbraw/zinc/98/44/02/801984402.db2.gz ONEAVSLQVFTABN-BETUJISGSA-N 2 2 278.356 -0.344 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1C[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C1 ZINC001049083128 801998062 /nfs/dbraw/zinc/99/80/62/801998062.db2.gz RMWUHGWZNXDXEC-MXWKQRLJSA-N 2 2 291.355 -0.784 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C1 ZINC001049083128 801998071 /nfs/dbraw/zinc/99/80/71/801998071.db2.gz RMWUHGWZNXDXEC-MXWKQRLJSA-N 2 2 291.355 -0.784 20 0 CBADLP COCC[N@H+]1C[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2C1 ZINC001049130967 802001489 /nfs/dbraw/zinc/00/14/89/802001489.db2.gz CJYPGICIHNHWKZ-TXEJJXNPSA-N 2 2 278.356 -0.011 20 0 CBADLP COCC[N@@H+]1C[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2C1 ZINC001049130967 802001498 /nfs/dbraw/zinc/00/14/98/802001498.db2.gz CJYPGICIHNHWKZ-TXEJJXNPSA-N 2 2 278.356 -0.011 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H]3[C@@H]2CC[NH+]3CCO)C1 ZINC001049391345 802017783 /nfs/dbraw/zinc/01/77/83/802017783.db2.gz KBCHTNMTEZCDLH-IHRRRGAJSA-N 2 2 297.399 -0.625 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N2CCC[C@H]3[C@@H]2CC[NH+]3CCO)C1 ZINC001049391345 802017791 /nfs/dbraw/zinc/01/77/91/802017791.db2.gz KBCHTNMTEZCDLH-IHRRRGAJSA-N 2 2 297.399 -0.625 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3CCO)C1 ZINC001049391345 802017799 /nfs/dbraw/zinc/01/77/99/802017799.db2.gz KBCHTNMTEZCDLH-IHRRRGAJSA-N 2 2 297.399 -0.625 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3CCO)C1 ZINC001049391345 802017808 /nfs/dbraw/zinc/01/78/08/802017808.db2.gz KBCHTNMTEZCDLH-IHRRRGAJSA-N 2 2 297.399 -0.625 20 0 CBADLP NC(=O)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCCC1 ZINC001049896307 802042718 /nfs/dbraw/zinc/04/27/18/802042718.db2.gz MXGMLYLWJPNDDO-QWHCGFSZSA-N 2 2 294.399 -0.367 20 0 CBADLP NC(=O)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCCC1 ZINC001049896307 802042722 /nfs/dbraw/zinc/04/27/22/802042722.db2.gz MXGMLYLWJPNDDO-QWHCGFSZSA-N 2 2 294.399 -0.367 20 0 CBADLP CC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001051885312 802171058 /nfs/dbraw/zinc/17/10/58/802171058.db2.gz YYHMJULYVYVUJP-SNVBAGLBSA-N 2 2 252.318 -0.211 20 0 CBADLP CC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CC[N@H+](C)C1)CCO2 ZINC001053530556 802264622 /nfs/dbraw/zinc/26/46/22/802264622.db2.gz AUBWUGKQJDYRPU-GFCCVEGCSA-N 2 2 267.373 -0.129 20 0 CBADLP CC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CC[N@@H+](C)C1)CCO2 ZINC001053530556 802264627 /nfs/dbraw/zinc/26/46/27/802264627.db2.gz AUBWUGKQJDYRPU-GFCCVEGCSA-N 2 2 267.373 -0.129 20 0 CBADLP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CCC3(C[NH+](CCO)C3)O2)C1 ZINC001053698148 802275689 /nfs/dbraw/zinc/27/56/89/802275689.db2.gz DZHYKOAYIXKIOQ-OLZOCXBDSA-N 2 2 297.399 -0.720 20 0 CBADLP C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCC3(C[NH+](CCO)C3)O2)C1 ZINC001053698148 802275693 /nfs/dbraw/zinc/27/56/93/802275693.db2.gz DZHYKOAYIXKIOQ-OLZOCXBDSA-N 2 2 297.399 -0.720 20 0 CBADLP COCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)CO2 ZINC001053756096 802286830 /nfs/dbraw/zinc/28/68/30/802286830.db2.gz OOCVDPRNALUQMU-QWHCGFSZSA-N 2 2 297.399 -0.314 20 0 CBADLP COCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)CO2 ZINC001053756096 802286839 /nfs/dbraw/zinc/28/68/39/802286839.db2.gz OOCVDPRNALUQMU-QWHCGFSZSA-N 2 2 297.399 -0.314 20 0 CBADLP C[C@@H]1[C@H](C(=O)N[C@@H]2COC3(C[NH+](CCO)C3)C2)CC[N@@H+]1C ZINC001053806642 802297475 /nfs/dbraw/zinc/29/74/75/802297475.db2.gz NOLNUIUFSYRWNQ-FRRDWIJNSA-N 2 2 297.399 -0.722 20 0 CBADLP C[C@@H]1[C@H](C(=O)N[C@@H]2COC3(C[NH+](CCO)C3)C2)CC[N@H+]1C ZINC001053806642 802297484 /nfs/dbraw/zinc/29/74/84/802297484.db2.gz NOLNUIUFSYRWNQ-FRRDWIJNSA-N 2 2 297.399 -0.722 20 0 CBADLP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2COC3(C[NH+](CCCO)C3)C2)C1 ZINC001054008354 802322547 /nfs/dbraw/zinc/32/25/47/802322547.db2.gz XDGDCRXGMCTFFM-OLZOCXBDSA-N 2 2 297.399 -0.720 20 0 CBADLP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2COC3(C[NH+](CCCO)C3)C2)C1 ZINC001054008354 802322556 /nfs/dbraw/zinc/32/25/56/802322556.db2.gz XDGDCRXGMCTFFM-OLZOCXBDSA-N 2 2 297.399 -0.720 20 0 CBADLP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2COC3(C[NH+](CCCO)C3)C2)C1 ZINC001054008353 802323643 /nfs/dbraw/zinc/32/36/43/802323643.db2.gz XDGDCRXGMCTFFM-CHWSQXEVSA-N 2 2 297.399 -0.720 20 0 CBADLP C[N@H+]1CC[C@@H](C(=O)N[C@H]2COC3(C[NH+](CCCO)C3)C2)C1 ZINC001054008353 802323651 /nfs/dbraw/zinc/32/36/51/802323651.db2.gz XDGDCRXGMCTFFM-CHWSQXEVSA-N 2 2 297.399 -0.720 20 0 CBADLP O=C(C[NH+]1CCCC1)N[C@@H]1COC2(C[NH+](CCCO)C2)C1 ZINC001054008464 802323744 /nfs/dbraw/zinc/32/37/44/802323744.db2.gz BACPMIQIVMIHFM-ZDUSSCGKSA-N 2 2 297.399 -0.576 20 0 CBADLP [NH3+]C[C@H]1C[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@H]1C(F)(F)F ZINC001119618768 812836349 /nfs/dbraw/zinc/83/63/49/812836349.db2.gz RGRCZFKPDGKIFH-CIQUZCHMSA-N 3 2 267.295 -0.094 20 0 CBADLP [NH3+]C[C@H]1C[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@H]1C(F)(F)F ZINC001119618768 812836358 /nfs/dbraw/zinc/83/63/58/812836358.db2.gz RGRCZFKPDGKIFH-CIQUZCHMSA-N 3 2 267.295 -0.094 20 0 CBADLP C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C[NH2+]CCO ZINC001133353780 814246409 /nfs/dbraw/zinc/24/64/09/814246409.db2.gz HIKVZPUUGIGHBD-STQMWFEESA-N 2 2 280.372 -0.050 20 0 CBADLP C[NH+]1CCC(C(=O)N[C@@H](CO)Cc2c[nH]c[nH+]2)CC1 ZINC001143316577 814769584 /nfs/dbraw/zinc/76/95/84/814769584.db2.gz UIASQIJBCWGNJX-GFCCVEGCSA-N 2 2 266.345 -0.229 20 0 CBADLP C[NH+]1CCC(C(=O)N[C@@H](CO)Cc2c[nH+]c[nH]2)CC1 ZINC001143316577 814769585 /nfs/dbraw/zinc/76/95/85/814769585.db2.gz UIASQIJBCWGNJX-GFCCVEGCSA-N 2 2 266.345 -0.229 20 0 CBADLP C[C@H](C[NH2+]CCCO)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001321560155 803784202 /nfs/dbraw/zinc/78/42/02/803784202.db2.gz MWTSIZVLVKVOMM-VXGBXAGGSA-N 2 2 280.372 -0.078 20 0 CBADLP C[C@H](C[NH2+]CCO)NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001321627761 803793246 /nfs/dbraw/zinc/79/32/46/803793246.db2.gz LVKHSXPDYZQSMP-OCCSQVGLSA-N 2 2 299.415 -0.284 20 0 CBADLP C[C@H](C[NH2+]CCO)NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001321627761 803793254 /nfs/dbraw/zinc/79/32/54/803793254.db2.gz LVKHSXPDYZQSMP-OCCSQVGLSA-N 2 2 299.415 -0.284 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+]Cc1ccnn1C ZINC001149131110 814971496 /nfs/dbraw/zinc/97/14/96/814971496.db2.gz VSAVHADNIBYJFS-UHFFFAOYSA-N 2 2 276.344 -0.100 20 0 CBADLP C[C@@H](C[NH2+]CCN1CCCC1=O)NC(=O)Cc1[nH]cc[nH+]1 ZINC001322031984 803853111 /nfs/dbraw/zinc/85/31/11/803853111.db2.gz ASSGCQYVRNSZGN-NSHDSACASA-N 2 2 293.371 -0.331 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+]CCc1ccnn1C ZINC001149124590 814971231 /nfs/dbraw/zinc/97/12/31/814971231.db2.gz VVWSRGKWWBIZOQ-UHFFFAOYSA-N 2 2 290.371 -0.057 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+]CC(=O)NC(C)C ZINC001149123171 814971800 /nfs/dbraw/zinc/97/18/00/814971800.db2.gz HRWXROQRESSUOR-UHFFFAOYSA-N 2 2 281.360 -0.509 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+]CC(=O)NCC(C)C ZINC001149124597 814971814 /nfs/dbraw/zinc/97/18/14/814971814.db2.gz WISQDYXFPYVGBF-UHFFFAOYSA-N 2 2 295.387 -0.261 20 0 CBADLP C[C@@H](O)C[NH2+]CCCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001322711277 803931043 /nfs/dbraw/zinc/93/10/43/803931043.db2.gz SMOGQLWAMKILSO-SNVBAGLBSA-N 2 2 254.334 -0.229 20 0 CBADLP CN(C)C(=O)C[N@@H+]1CC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001323340092 804012655 /nfs/dbraw/zinc/01/26/55/804012655.db2.gz LOVZARKEIJOKDI-ZDUSSCGKSA-N 2 2 298.431 -0.003 20 0 CBADLP CN(C)C(=O)C[N@H+]1CC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001323340092 804012665 /nfs/dbraw/zinc/01/26/65/804012665.db2.gz LOVZARKEIJOKDI-ZDUSSCGKSA-N 2 2 298.431 -0.003 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC[C@@H]1CC[N@@H+]1CCOCCO ZINC001323358694 804015031 /nfs/dbraw/zinc/01/50/31/804015031.db2.gz WNKJQYXHUQHNAH-ZDUSSCGKSA-N 2 2 296.371 -0.609 20 0 CBADLP C[C@@H](O)C[NH2+]C1(CNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001323460054 804031426 /nfs/dbraw/zinc/03/14/26/804031426.db2.gz RDMSRXMNPGYDDL-SNVBAGLBSA-N 2 2 266.345 -0.039 20 0 CBADLP C[C@@H](O)C[NH2+]C1(CNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001323460054 804031437 /nfs/dbraw/zinc/03/14/37/804031437.db2.gz RDMSRXMNPGYDDL-SNVBAGLBSA-N 2 2 266.345 -0.039 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCC1([NH2+]C[C@@H](C)O)CC1 ZINC001323602051 804049137 /nfs/dbraw/zinc/04/91/37/804049137.db2.gz KJGCQYDIXMDQPF-SECBINFHSA-N 2 2 266.345 -0.120 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@H]1C[NH2+]CCO ZINC001324260891 804128278 /nfs/dbraw/zinc/12/82/78/804128278.db2.gz MHHVFNXNAAILLL-NSHDSACASA-N 2 2 266.345 -0.465 20 0 CBADLP Cn1ccnc1C[NH2+]CCNC(=O)CCc1c[nH+]cn1C ZINC001149553922 814999227 /nfs/dbraw/zinc/99/92/27/814999227.db2.gz QSQISUYKEGEBCM-UHFFFAOYSA-N 2 2 290.371 -0.008 20 0 CBADLP Cn1ccc(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)n1 ZINC001325878850 804330258 /nfs/dbraw/zinc/33/02/58/804330258.db2.gz KLSDKEVSRDKGEQ-ZDUSSCGKSA-N 2 2 267.377 -0.882 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC[C@H]1C[N@H+](CCO)CCCO1 ZINC001150595846 815036669 /nfs/dbraw/zinc/03/66/69/815036669.db2.gz DLHJGVZXFSPKSY-ZDUSSCGKSA-N 2 2 296.371 -0.838 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC[C@H]1C[N@@H+](CCO)CCCO1 ZINC001150595846 815036676 /nfs/dbraw/zinc/03/66/76/815036676.db2.gz DLHJGVZXFSPKSY-ZDUSSCGKSA-N 2 2 296.371 -0.838 20 0 CBADLP C[C@H](O)C[N@@H+]1CCCO[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001150823962 815044899 /nfs/dbraw/zinc/04/48/99/815044899.db2.gz DNIJUYRTCVKKEQ-STQMWFEESA-N 2 2 296.371 -0.529 20 0 CBADLP C[C@H](O)C[N@H+]1CCCO[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001150823962 815044907 /nfs/dbraw/zinc/04/49/07/815044907.db2.gz DNIJUYRTCVKKEQ-STQMWFEESA-N 2 2 296.371 -0.529 20 0 CBADLP C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]Cc2csnn2)C1 ZINC001151048666 815052500 /nfs/dbraw/zinc/05/25/00/815052500.db2.gz CUYAVMBYRKOJRK-VIFPVBQESA-N 2 2 269.374 -0.304 20 0 CBADLP C[N@H+]1CC[C@H](C(=O)NCC[NH2+]Cc2csnn2)C1 ZINC001151048666 815052505 /nfs/dbraw/zinc/05/25/05/815052505.db2.gz CUYAVMBYRKOJRK-VIFPVBQESA-N 2 2 269.374 -0.304 20 0 CBADLP Cc1noc(C[NH2+]CCNC(=O)C[NH+]2CCCC2)n1 ZINC001151096888 815060175 /nfs/dbraw/zinc/06/01/75/815060175.db2.gz HUWXVKGFASSRJL-UHFFFAOYSA-N 2 2 267.333 -0.320 20 0 CBADLP Cc1nnc(C[NH2+]CCNC(=O)C[NH+]2CCCC2)o1 ZINC001151097784 815060443 /nfs/dbraw/zinc/06/04/43/815060443.db2.gz RZSZYYAPOXOHBE-UHFFFAOYSA-N 2 2 267.333 -0.320 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@H](C)[N@@H+](CC(N)=O)C1 ZINC001071689176 805256601 /nfs/dbraw/zinc/25/66/01/805256601.db2.gz GYYNAVTVWNZVGE-JQWIXIFHSA-N 2 2 293.371 -0.354 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@H](C)[N@H+](CC(N)=O)C1 ZINC001071689176 805256607 /nfs/dbraw/zinc/25/66/07/805256607.db2.gz GYYNAVTVWNZVGE-JQWIXIFHSA-N 2 2 293.371 -0.354 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NCC[NH2+][C@H](C)c1nnnn1C ZINC001151114479 815061897 /nfs/dbraw/zinc/06/18/97/815061897.db2.gz NPXWKOZZSDMVSC-SECBINFHSA-N 2 2 292.347 -0.818 20 0 CBADLP CNC(=O)C[N@@H+]1C[C@H](NC(=O)C[NH+]2CCCC2)CC[C@H]1C ZINC001072080859 805285832 /nfs/dbraw/zinc/28/58/32/805285832.db2.gz CRVOCCAKEWRDNR-CHWSQXEVSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[N@H+]1C[C@H](NC(=O)C[NH+]2CCCC2)CC[C@H]1C ZINC001072080859 805285841 /nfs/dbraw/zinc/28/58/41/805285841.db2.gz CRVOCCAKEWRDNR-CHWSQXEVSA-N 2 2 296.415 -0.203 20 0 CBADLP C[C@H]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C[N@@H+]1CC(N)=O ZINC001072082214 805287646 /nfs/dbraw/zinc/28/76/46/805287646.db2.gz XSOKSRVGXVTCNY-NWDGAFQWSA-N 2 2 282.388 -0.463 20 0 CBADLP C[C@H]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C[N@H+]1CC(N)=O ZINC001072082214 805287649 /nfs/dbraw/zinc/28/76/49/805287649.db2.gz XSOKSRVGXVTCNY-NWDGAFQWSA-N 2 2 282.388 -0.463 20 0 CBADLP C[C@H](O)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H]1C ZINC001074918324 805477335 /nfs/dbraw/zinc/47/73/35/805477335.db2.gz DYDFTQOYMOXDAZ-NHCYSSNCSA-N 2 2 266.345 -0.088 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](CC(N)=O)C[C@H]21 ZINC001075613849 805514701 /nfs/dbraw/zinc/51/47/01/805514701.db2.gz SCZRQZNWTHZEIA-QJPTWQEYSA-N 2 2 280.372 -0.901 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](CC(N)=O)C[C@H]21 ZINC001075613849 805514705 /nfs/dbraw/zinc/51/47/05/805514705.db2.gz SCZRQZNWTHZEIA-QJPTWQEYSA-N 2 2 280.372 -0.901 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001075613849 805514711 /nfs/dbraw/zinc/51/47/11/805514711.db2.gz SCZRQZNWTHZEIA-QJPTWQEYSA-N 2 2 280.372 -0.901 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001075613849 805514718 /nfs/dbraw/zinc/51/47/18/805514718.db2.gz SCZRQZNWTHZEIA-QJPTWQEYSA-N 2 2 280.372 -0.901 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2ncc(C)o2)C1 ZINC001151748927 815089430 /nfs/dbraw/zinc/08/94/30/815089430.db2.gz MHFRECBHJYKZJP-GFCCVEGCSA-N 2 2 296.371 -0.090 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2ncc(C)o2)C1 ZINC001151748927 815089434 /nfs/dbraw/zinc/08/94/34/815089434.db2.gz MHFRECBHJYKZJP-GFCCVEGCSA-N 2 2 296.371 -0.090 20 0 CBADLP CCOCC[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+]1CCOCC1 ZINC001151813797 815094910 /nfs/dbraw/zinc/09/49/10/815094910.db2.gz ABWIOSUMARVRHO-CQSZACIVSA-N 2 2 299.415 -0.161 20 0 CBADLP CC[NH2+]CCNC(=O)[C@H](C1CC1)[NH+]1CCOCC1 ZINC001151815454 815094984 /nfs/dbraw/zinc/09/49/84/815094984.db2.gz WAHWFRJHTXVXCF-LBPRGKRZSA-N 2 2 255.362 -0.177 20 0 CBADLP COC[C@H](C)[NH2+]CCNC(=O)[C@H](C1CC1)[NH+]1CCOCC1 ZINC001151814835 815095346 /nfs/dbraw/zinc/09/53/46/815095346.db2.gz MYBVIPMAYBBBGQ-JSGCOSHPSA-N 2 2 299.415 -0.162 20 0 CBADLP CCN(C(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2)C1CCOCC1 ZINC001160494230 815630371 /nfs/dbraw/zinc/63/03/71/815630371.db2.gz RLXHHFFYCRNIND-FZMZJTMJSA-N 2 2 267.373 -0.035 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NCC[NH2+]Cc1nnnn1C1CC1 ZINC001152439182 815120777 /nfs/dbraw/zinc/12/07/77/815120777.db2.gz CSHLEYCHFYZDGZ-UHFFFAOYSA-N 2 2 295.391 -0.446 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NCC[NH2+]Cc1nnnn1C1CC1 ZINC001152439182 815120782 /nfs/dbraw/zinc/12/07/82/815120782.db2.gz CSHLEYCHFYZDGZ-UHFFFAOYSA-N 2 2 295.391 -0.446 20 0 CBADLP COCc1noc(C[NH2+]CCNC(=O)C[N@H+](C)C(C)C)n1 ZINC001152439366 815121257 /nfs/dbraw/zinc/12/12/57/815121257.db2.gz IZXDEQQOMFZBAK-UHFFFAOYSA-N 2 2 299.375 -0.238 20 0 CBADLP COCc1noc(C[NH2+]CCNC(=O)C[N@@H+](C)C(C)C)n1 ZINC001152439366 815121260 /nfs/dbraw/zinc/12/12/60/815121260.db2.gz IZXDEQQOMFZBAK-UHFFFAOYSA-N 2 2 299.375 -0.238 20 0 CBADLP CCCn1nnnc1C[NH2+]CCNC(=O)C[N@H+](C)C(C)C ZINC001152432529 815121876 /nfs/dbraw/zinc/12/18/76/815121876.db2.gz JKFSUGUOSVLHSF-UHFFFAOYSA-N 2 2 297.407 -0.371 20 0 CBADLP CCCn1nnnc1C[NH2+]CCNC(=O)C[N@@H+](C)C(C)C ZINC001152432529 815121880 /nfs/dbraw/zinc/12/18/80/815121880.db2.gz JKFSUGUOSVLHSF-UHFFFAOYSA-N 2 2 297.407 -0.371 20 0 CBADLP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1nnnn1C ZINC001152446452 815122679 /nfs/dbraw/zinc/12/26/79/815122679.db2.gz YXIGXQIIEYOOBQ-NSHDSACASA-N 2 2 295.391 -0.710 20 0 CBADLP CC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1nnnn1C ZINC001152446452 815122682 /nfs/dbraw/zinc/12/26/82/815122682.db2.gz YXIGXQIIEYOOBQ-NSHDSACASA-N 2 2 295.391 -0.710 20 0 CBADLP C[C@H](O)C[NH2+]CCNC(=O)[C@@H](c1cccnc1)[NH+](C)C ZINC001152618150 815132117 /nfs/dbraw/zinc/13/21/17/815132117.db2.gz JFBWMMNHIUGBSP-WCQYABFASA-N 2 2 280.372 -0.229 20 0 CBADLP CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)CCc1[nH]cc[nH+]1 ZINC001153114655 815150297 /nfs/dbraw/zinc/15/02/97/815150297.db2.gz GLNZEJCOCSVARO-SNVBAGLBSA-N 2 2 281.360 -0.346 20 0 CBADLP CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)CCc1[nH]cc[nH+]1 ZINC001153114655 815150298 /nfs/dbraw/zinc/15/02/98/815150298.db2.gz GLNZEJCOCSVARO-SNVBAGLBSA-N 2 2 281.360 -0.346 20 0 CBADLP CCNC(=O)C[NH2+]CCNC(=O)CCCn1cc[nH+]c1 ZINC001153344776 815159319 /nfs/dbraw/zinc/15/93/19/815159319.db2.gz KQOXGMOXAGOBJH-UHFFFAOYSA-N 2 2 281.360 -0.495 20 0 CBADLP CCN(C)C(=O)C[NH2+]CCNC(=O)CCCn1cc[nH+]c1 ZINC001153338922 815159384 /nfs/dbraw/zinc/15/93/84/815159384.db2.gz FFOLZQFGRUVDFI-UHFFFAOYSA-N 2 2 295.387 -0.153 20 0 CBADLP CC(C)N(C)C(=O)C[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153487614 815163539 /nfs/dbraw/zinc/16/35/39/815163539.db2.gz IICWWJAOIQTTGQ-UHFFFAOYSA-N 2 2 281.360 -0.544 20 0 CBADLP CC(C)CNC(=O)[C@@H](C)[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153500281 815164094 /nfs/dbraw/zinc/16/40/94/815164094.db2.gz IPOPMAIHUPRHGA-GFCCVEGCSA-N 2 2 295.387 -0.250 20 0 CBADLP Cc1cnc(C[NH2+]CCNC(=O)Cn2cc[nH+]c2)cn1 ZINC001153500046 815164108 /nfs/dbraw/zinc/16/41/08/815164108.db2.gz DCKXISMJHXMYKP-UHFFFAOYSA-N 2 2 274.328 -0.112 20 0 CBADLP CC(C)N(C)C(=O)[C@@H](C)[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153500556 815164163 /nfs/dbraw/zinc/16/41/63/815164163.db2.gz OWZWZUOGJKJPOY-GFCCVEGCSA-N 2 2 295.387 -0.156 20 0 CBADLP O=C(Cn1cc[nH+]c1)NCC[NH2+]Cc1cnns1 ZINC001153495387 815164172 /nfs/dbraw/zinc/16/41/72/815164172.db2.gz IJZGOFNIAQSVGL-UHFFFAOYSA-N 2 2 266.330 -0.359 20 0 CBADLP O=C(Cn1cc[nH+]c1)NCC[NH2+]CCN1CCCC1=O ZINC001153500624 815164223 /nfs/dbraw/zinc/16/42/23/815164223.db2.gz RYPVTSYATCCMFB-UHFFFAOYSA-N 2 2 279.344 -0.789 20 0 CBADLP CCC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153500091 815164565 /nfs/dbraw/zinc/16/45/65/815164565.db2.gz FJLDUUIQTZGGBH-GFCCVEGCSA-N 2 2 295.387 -0.106 20 0 CBADLP CC(C)NC(=O)NCC[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153496244 815164581 /nfs/dbraw/zinc/16/45/81/815164581.db2.gz XCAKVYXEIDMHFZ-UHFFFAOYSA-N 2 2 296.375 -0.704 20 0 CBADLP C[C@@H]([NH2+]CCNC(=O)Cn1cc[nH+]c1)C(=O)NC(C)(C)C ZINC001153499992 815164740 /nfs/dbraw/zinc/16/47/40/815164740.db2.gz BYTGXHGBBZWGMK-LLVKDONJSA-N 2 2 295.387 -0.108 20 0 CBADLP CC[N@@H+]1CC[C@@H]1C(=O)N1C[C@@H]2CCC[NH+]2C[C@@H]1CO ZINC001153780385 815177115 /nfs/dbraw/zinc/17/71/15/815177115.db2.gz JKHXIRZMMHWNHN-YNEHKIRRSA-N 2 2 267.373 -0.252 20 0 CBADLP CC[N@H+]1CC[C@@H]1C(=O)N1C[C@@H]2CCC[NH+]2C[C@@H]1CO ZINC001153780385 815177119 /nfs/dbraw/zinc/17/71/19/815177119.db2.gz JKHXIRZMMHWNHN-YNEHKIRRSA-N 2 2 267.373 -0.252 20 0 CBADLP CC[NH+]1CC[C@@H]1C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC001153780385 815177122 /nfs/dbraw/zinc/17/71/22/815177122.db2.gz JKHXIRZMMHWNHN-YNEHKIRRSA-N 2 2 267.373 -0.252 20 0 CBADLP CC[NH+]1CC[C@@H]1C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC001153780385 815177127 /nfs/dbraw/zinc/17/71/27/815177127.db2.gz JKHXIRZMMHWNHN-YNEHKIRRSA-N 2 2 267.373 -0.252 20 0 CBADLP C[N@@H+]1CCO[C@@H](CNc2cc(C3C[NH2+]C3)ncn2)C1 ZINC001155201515 815268362 /nfs/dbraw/zinc/26/83/62/815268362.db2.gz GLJKCIWRKUAYRM-NSHDSACASA-N 2 2 263.345 -0.094 20 0 CBADLP C[N@H+]1CCO[C@@H](CNc2cc(C3C[NH2+]C3)ncn2)C1 ZINC001155201515 815268367 /nfs/dbraw/zinc/26/83/67/815268367.db2.gz GLJKCIWRKUAYRM-NSHDSACASA-N 2 2 263.345 -0.094 20 0 CBADLP CC[N@H+](CCOCCO)[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001155469311 815285459 /nfs/dbraw/zinc/28/54/59/815285459.db2.gz HGTNZLRCCRRSLA-GFCCVEGCSA-N 2 2 298.387 -0.212 20 0 CBADLP CC[N@@H+](CCOCCO)[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001155469311 815285463 /nfs/dbraw/zinc/28/54/63/815285463.db2.gz HGTNZLRCCRRSLA-GFCCVEGCSA-N 2 2 298.387 -0.212 20 0 CBADLP CC[N@H+](C[C@H](O)COC)[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001155470261 815287273 /nfs/dbraw/zinc/28/72/73/815287273.db2.gz OWSLTCRFSMYULJ-YPMHNXCESA-N 2 2 298.387 -0.214 20 0 CBADLP CC[N@@H+](C[C@H](O)COC)[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001155470261 815287280 /nfs/dbraw/zinc/28/72/80/815287280.db2.gz OWSLTCRFSMYULJ-YPMHNXCESA-N 2 2 298.387 -0.214 20 0 CBADLP Cc1cnc(C[NH2+]CCCNC(=O)[C@@H]2C[N@H+](C)CCO2)o1 ZINC001156144839 815341284 /nfs/dbraw/zinc/34/12/84/815341284.db2.gz GOJPMEWYMZNMPB-LBPRGKRZSA-N 2 2 296.371 -0.090 20 0 CBADLP Cc1cnc(C[NH2+]CCCNC(=O)[C@@H]2C[N@@H+](C)CCO2)o1 ZINC001156144839 815341291 /nfs/dbraw/zinc/34/12/91/815341291.db2.gz GOJPMEWYMZNMPB-LBPRGKRZSA-N 2 2 296.371 -0.090 20 0 CBADLP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@@H+]1CCO ZINC001087847857 810309247 /nfs/dbraw/zinc/30/92/47/810309247.db2.gz VDUDPGFOVXWMMX-NWDGAFQWSA-N 2 2 266.345 -0.156 20 0 CBADLP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@H+]1CCO ZINC001087847857 810309254 /nfs/dbraw/zinc/30/92/54/810309254.db2.gz VDUDPGFOVXWMMX-NWDGAFQWSA-N 2 2 266.345 -0.156 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[N@H+](CCO)CC[C@@H]2C1 ZINC001088219388 810322209 /nfs/dbraw/zinc/32/22/09/810322209.db2.gz ADAYJJFSVBLYFG-OLZOCXBDSA-N 2 2 278.356 -0.344 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[N@@H+](CCO)CC[C@@H]2C1 ZINC001088219388 810322217 /nfs/dbraw/zinc/32/22/17/810322217.db2.gz ADAYJJFSVBLYFG-OLZOCXBDSA-N 2 2 278.356 -0.344 20 0 CBADLP NC(=O)C[NH2+][C@H]1CCCCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001088390270 810328241 /nfs/dbraw/zinc/32/82/41/810328241.db2.gz JTXUNWYJUGZLBM-NSHDSACASA-N 2 2 293.371 -0.202 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC[N@@H+]1CC(N)=O ZINC001088494584 810334919 /nfs/dbraw/zinc/33/49/19/810334919.db2.gz GKDTYYHSVWZVTB-OUAUKWLOSA-N 2 2 268.361 -0.855 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC[N@H+]1CC(N)=O ZINC001088494584 810334926 /nfs/dbraw/zinc/33/49/26/810334926.db2.gz GKDTYYHSVWZVTB-OUAUKWLOSA-N 2 2 268.361 -0.855 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC[NH+]1CC(N)=O ZINC001088494584 810334932 /nfs/dbraw/zinc/33/49/32/810334932.db2.gz GKDTYYHSVWZVTB-OUAUKWLOSA-N 2 2 268.361 -0.855 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CC[NH+]1CC(N)=O ZINC001088494584 810334939 /nfs/dbraw/zinc/33/49/39/810334939.db2.gz GKDTYYHSVWZVTB-OUAUKWLOSA-N 2 2 268.361 -0.855 20 0 CBADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC(N)=O)[C@@H]1C ZINC001088563812 810343685 /nfs/dbraw/zinc/34/36/85/810343685.db2.gz HNARNRDYCLBPOX-FRRDWIJNSA-N 2 2 296.415 -0.077 20 0 CBADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC(N)=O)[C@@H]1C ZINC001088563812 810343691 /nfs/dbraw/zinc/34/36/91/810343691.db2.gz HNARNRDYCLBPOX-FRRDWIJNSA-N 2 2 296.415 -0.077 20 0 CBADLP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC(N)=O)[C@@H]1C ZINC001088563812 810343698 /nfs/dbraw/zinc/34/36/98/810343698.db2.gz HNARNRDYCLBPOX-FRRDWIJNSA-N 2 2 296.415 -0.077 20 0 CBADLP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)[C@@H]1C ZINC001088563812 810343702 /nfs/dbraw/zinc/34/37/02/810343702.db2.gz HNARNRDYCLBPOX-FRRDWIJNSA-N 2 2 296.415 -0.077 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@@H+]1CC(N)=O ZINC001088791759 810355916 /nfs/dbraw/zinc/35/59/16/810355916.db2.gz AIUSRYWJWXZFAG-NEPJUHHUSA-N 2 2 296.415 -0.075 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@H+]1CC(N)=O ZINC001088791759 810355922 /nfs/dbraw/zinc/35/59/22/810355922.db2.gz AIUSRYWJWXZFAG-NEPJUHHUSA-N 2 2 296.415 -0.075 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1CC(N)=O ZINC001089038279 810372914 /nfs/dbraw/zinc/37/29/14/810372914.db2.gz MRXLQKCTIITYFW-MNOVXSKESA-N 2 2 268.361 -0.854 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1CC(N)=O ZINC001089038279 810372921 /nfs/dbraw/zinc/37/29/21/810372921.db2.gz MRXLQKCTIITYFW-MNOVXSKESA-N 2 2 268.361 -0.854 20 0 CBADLP C[NH2+][C@H]1CCN1c1ccnc(N2CC[NH+](C)CC2)n1 ZINC001156660296 815372961 /nfs/dbraw/zinc/37/29/61/815372961.db2.gz NOSWQAHSSSDSBD-LLVKDONJSA-N 2 2 262.361 -0.016 20 0 CBADLP CCC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001090679159 810549097 /nfs/dbraw/zinc/54/90/97/810549097.db2.gz LFCVQBDWMDAAAC-GHMZBOCLSA-N 2 2 266.345 -0.086 20 0 CBADLP CCC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001090679159 810549105 /nfs/dbraw/zinc/54/91/05/810549105.db2.gz LFCVQBDWMDAAAC-GHMZBOCLSA-N 2 2 266.345 -0.086 20 0 CBADLP COCC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001090727350 810557930 /nfs/dbraw/zinc/55/79/30/810557930.db2.gz KAQHSOLJONMJCQ-OLZOCXBDSA-N 2 2 296.371 -0.840 20 0 CBADLP COCC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001090727350 810557940 /nfs/dbraw/zinc/55/79/40/810557940.db2.gz KAQHSOLJONMJCQ-OLZOCXBDSA-N 2 2 296.371 -0.840 20 0 CBADLP COCC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H](O)C1 ZINC001090763446 810563256 /nfs/dbraw/zinc/56/32/56/810563256.db2.gz IKOFOVLHDQCENA-DGCLKSJQSA-N 2 2 296.371 -0.542 20 0 CBADLP COCC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H](O)C1 ZINC001090763446 810563262 /nfs/dbraw/zinc/56/32/62/810563262.db2.gz IKOFOVLHDQCENA-DGCLKSJQSA-N 2 2 296.371 -0.542 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[N@@H+](CC2CC2)C[C@@H]1O ZINC001090847354 810573894 /nfs/dbraw/zinc/57/38/94/810573894.db2.gz SARUWNVUGMTEBK-STQMWFEESA-N 2 2 278.356 -0.156 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[N@H+](CC2CC2)C[C@@H]1O ZINC001090847354 810573899 /nfs/dbraw/zinc/57/38/99/810573899.db2.gz SARUWNVUGMTEBK-STQMWFEESA-N 2 2 278.356 -0.156 20 0 CBADLP COCC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001090847468 810574160 /nfs/dbraw/zinc/57/41/60/810574160.db2.gz VOPIHCGRULNXRF-RYUDHWBXSA-N 2 2 282.344 -0.919 20 0 CBADLP COCC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001090847468 810574164 /nfs/dbraw/zinc/57/41/64/810574164.db2.gz VOPIHCGRULNXRF-RYUDHWBXSA-N 2 2 282.344 -0.919 20 0 CBADLP O=C(NCC1CC([NH2+]CCO)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC001091105821 810593617 /nfs/dbraw/zinc/59/36/17/810593617.db2.gz VGOWRBQSISYBJL-CPCZMJQVSA-N 2 2 292.383 -0.078 20 0 CBADLP NC(=O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001095007287 810736556 /nfs/dbraw/zinc/73/65/56/810736556.db2.gz LXRSBDRYKTVIHY-UMNHJUIQSA-N 2 2 291.355 -0.593 20 0 CBADLP NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001096355872 810775834 /nfs/dbraw/zinc/77/58/34/810775834.db2.gz FSXWCXJMYMFFSF-WOPDTQHZSA-N 2 2 292.383 -0.711 20 0 CBADLP NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001096355872 810775838 /nfs/dbraw/zinc/77/58/38/810775838.db2.gz FSXWCXJMYMFFSF-WOPDTQHZSA-N 2 2 292.383 -0.711 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001096545653 810780201 /nfs/dbraw/zinc/78/02/01/810780201.db2.gz JNBNTGHKGQHINU-RNJOBUHISA-N 2 2 294.399 -0.323 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001096545653 810780204 /nfs/dbraw/zinc/78/02/04/810780204.db2.gz JNBNTGHKGQHINU-RNJOBUHISA-N 2 2 294.399 -0.323 20 0 CBADLP CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001096538221 810780841 /nfs/dbraw/zinc/78/08/41/810780841.db2.gz BDWDHYVZUPKTMX-NDBYEHHHSA-N 2 2 294.399 -0.594 20 0 CBADLP CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001096538221 810780848 /nfs/dbraw/zinc/78/08/48/810780848.db2.gz BDWDHYVZUPKTMX-NDBYEHHHSA-N 2 2 294.399 -0.594 20 0 CBADLP CNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001096538221 810780855 /nfs/dbraw/zinc/78/08/55/810780855.db2.gz BDWDHYVZUPKTMX-NDBYEHHHSA-N 2 2 294.399 -0.594 20 0 CBADLP CNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001096538221 810780863 /nfs/dbraw/zinc/78/08/63/810780863.db2.gz BDWDHYVZUPKTMX-NDBYEHHHSA-N 2 2 294.399 -0.594 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCCO)C1 ZINC001096914047 810789498 /nfs/dbraw/zinc/78/94/98/810789498.db2.gz DHNJGUXDUWOFEH-YIYPIFLZSA-N 2 2 297.399 -0.579 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCO)C1 ZINC001096914047 810789507 /nfs/dbraw/zinc/78/95/07/810789507.db2.gz DHNJGUXDUWOFEH-YIYPIFLZSA-N 2 2 297.399 -0.579 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCO)C1 ZINC001096914047 810789509 /nfs/dbraw/zinc/78/95/09/810789509.db2.gz DHNJGUXDUWOFEH-YIYPIFLZSA-N 2 2 297.399 -0.579 20 0 CBADLP NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001098223317 810835981 /nfs/dbraw/zinc/83/59/81/810835981.db2.gz FSXWCXJMYMFFSF-UTUOFQBUSA-N 2 2 292.383 -0.711 20 0 CBADLP NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001098223317 810835994 /nfs/dbraw/zinc/83/59/94/810835994.db2.gz FSXWCXJMYMFFSF-UTUOFQBUSA-N 2 2 292.383 -0.711 20 0 CBADLP CCOC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CC[NH2+]C ZINC001157082127 815403639 /nfs/dbraw/zinc/40/36/39/815403639.db2.gz IRRMZYWHTANHSP-JTQLQIEISA-N 2 2 268.317 -0.390 20 0 CBADLP CCOC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CC[NH2+]C ZINC001157082127 815403644 /nfs/dbraw/zinc/40/36/44/815403644.db2.gz IRRMZYWHTANHSP-JTQLQIEISA-N 2 2 268.317 -0.390 20 0 CBADLP O=C(NCc1cc2n(n1)CCCO2)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001157082230 815404405 /nfs/dbraw/zinc/40/44/05/815404405.db2.gz IWKXEVMXERNFIG-QMTHXVAHSA-N 2 2 291.355 -0.767 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)N[C@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001099871770 810958081 /nfs/dbraw/zinc/95/80/81/810958081.db2.gz JYFNKINHNGFUBF-QWHCGFSZSA-N 2 2 296.371 -0.724 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)N[C@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001099871770 810958084 /nfs/dbraw/zinc/95/80/84/810958084.db2.gz JYFNKINHNGFUBF-QWHCGFSZSA-N 2 2 296.371 -0.724 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)N[C@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001099871770 810958089 /nfs/dbraw/zinc/95/80/89/810958089.db2.gz JYFNKINHNGFUBF-QWHCGFSZSA-N 2 2 296.371 -0.724 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)N[C@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001099871770 810958094 /nfs/dbraw/zinc/95/80/94/810958094.db2.gz JYFNKINHNGFUBF-QWHCGFSZSA-N 2 2 296.371 -0.724 20 0 CBADLP CC[N@@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001099940569 810972064 /nfs/dbraw/zinc/97/20/64/810972064.db2.gz YATLSNKOSPVLST-NEPJUHHUSA-N 2 2 266.345 -0.156 20 0 CBADLP CC[N@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001099940569 810972067 /nfs/dbraw/zinc/97/20/67/810972067.db2.gz YATLSNKOSPVLST-NEPJUHHUSA-N 2 2 266.345 -0.156 20 0 CBADLP CC[N@@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001099940571 810972850 /nfs/dbraw/zinc/97/28/50/810972850.db2.gz YATLSNKOSPVLST-RYUDHWBXSA-N 2 2 266.345 -0.156 20 0 CBADLP CC[N@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001099940571 810972857 /nfs/dbraw/zinc/97/28/57/810972857.db2.gz YATLSNKOSPVLST-RYUDHWBXSA-N 2 2 266.345 -0.156 20 0 CBADLP CC[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@@H](O)C1 ZINC001100094194 811020409 /nfs/dbraw/zinc/02/04/09/811020409.db2.gz IOELQBQCJOWLKU-OLZOCXBDSA-N 2 2 280.372 -0.076 20 0 CBADLP CC[N@H+]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@@H](O)C1 ZINC001100094194 811020418 /nfs/dbraw/zinc/02/04/18/811020418.db2.gz IOELQBQCJOWLKU-OLZOCXBDSA-N 2 2 280.372 -0.076 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CCF)C[C@H]1O ZINC001100132770 811027671 /nfs/dbraw/zinc/02/76/71/811027671.db2.gz YSUCFJGJQKESBJ-VXGBXAGGSA-N 2 2 275.368 -0.153 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](CCF)C[C@H]1O ZINC001100132770 811027684 /nfs/dbraw/zinc/02/76/84/811027684.db2.gz YSUCFJGJQKESBJ-VXGBXAGGSA-N 2 2 275.368 -0.153 20 0 CBADLP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@H+](CCF)C[C@H]1O ZINC001100132770 811027688 /nfs/dbraw/zinc/02/76/88/811027688.db2.gz YSUCFJGJQKESBJ-VXGBXAGGSA-N 2 2 275.368 -0.153 20 0 CBADLP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](CCF)C[C@H]1O ZINC001100132770 811027694 /nfs/dbraw/zinc/02/76/94/811027694.db2.gz YSUCFJGJQKESBJ-VXGBXAGGSA-N 2 2 275.368 -0.153 20 0 CBADLP Cn1cc(C[NH2+]CCCNC(=O)CCc2[nH]cc[nH+]2)nn1 ZINC001157265195 815416220 /nfs/dbraw/zinc/41/62/20/815416220.db2.gz OXTIQSIBOUFHGW-UHFFFAOYSA-N 2 2 291.359 -0.233 20 0 CBADLP C[C@@H]([NH2+]C1CC(CNC(=O)CCc2c[nH]c[nH+]2)C1)C(N)=O ZINC001100391212 811055417 /nfs/dbraw/zinc/05/54/17/811055417.db2.gz ALAAZBSDPJKFEK-GRZMOONWSA-N 2 2 293.371 -0.300 20 0 CBADLP C[C@@H]([NH2+]C1CC(CNC(=O)CCc2c[nH+]c[nH]2)C1)C(N)=O ZINC001100391212 811055425 /nfs/dbraw/zinc/05/54/25/811055425.db2.gz ALAAZBSDPJKFEK-GRZMOONWSA-N 2 2 293.371 -0.300 20 0 CBADLP COC[C@H](O)C[NH2+]C1CC(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001100710447 811075324 /nfs/dbraw/zinc/07/53/24/811075324.db2.gz RVGAQXDHLRFCJA-GCZXYKMCSA-N 2 2 296.371 -0.556 20 0 CBADLP CC[N@H+](C[C@@H](O)COC)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001157293613 815419791 /nfs/dbraw/zinc/41/97/91/815419791.db2.gz JVULUKTZWXZLIE-CHWSQXEVSA-N 2 2 298.387 -0.283 20 0 CBADLP CC[N@@H+](C[C@@H](O)COC)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001157293613 815419793 /nfs/dbraw/zinc/41/97/93/815419793.db2.gz JVULUKTZWXZLIE-CHWSQXEVSA-N 2 2 298.387 -0.283 20 0 CBADLP O=C(Cn1cc[nH+]c1)NCC1CC([NH2+]CCOCCO)C1 ZINC001101069266 811092985 /nfs/dbraw/zinc/09/29/85/811092985.db2.gz KNUASFSRAMLTGW-UHFFFAOYSA-N 2 2 296.371 -0.624 20 0 CBADLP CNC(=O)[C@H](CCCC[NH3+])NC(=O)Cc1cc[nH+]c(N)c1 ZINC001157335725 815424369 /nfs/dbraw/zinc/42/43/69/815424369.db2.gz JHFBUGLUQMHKLF-NSHDSACASA-N 2 2 293.371 -0.434 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1C[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001102482787 811159031 /nfs/dbraw/zinc/15/90/31/811159031.db2.gz JEVCUHIRORZMPV-OUAUKWLOSA-N 2 2 293.371 -0.490 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1C[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001102482787 811159039 /nfs/dbraw/zinc/15/90/39/811159039.db2.gz JEVCUHIRORZMPV-OUAUKWLOSA-N 2 2 293.371 -0.490 20 0 CBADLP C[C@@H]1C[N@H+](CCO)C[C@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001102483110 811159403 /nfs/dbraw/zinc/15/94/03/811159403.db2.gz YORSIYFEHKYQRH-GHMZBOCLSA-N 2 2 266.345 -0.371 20 0 CBADLP C[C@@H]1C[N@@H+](CCO)C[C@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001102483110 811159409 /nfs/dbraw/zinc/15/94/09/811159409.db2.gz YORSIYFEHKYQRH-GHMZBOCLSA-N 2 2 266.345 -0.371 20 0 CBADLP C[NH+](C)CCC(=O)N1CC(n2cc(C[NH2+]CCF)nn2)C1 ZINC001105320948 811224968 /nfs/dbraw/zinc/22/49/68/811224968.db2.gz QRKCCTUCLMGTLM-UHFFFAOYSA-N 2 2 298.366 -0.328 20 0 CBADLP N=C(NC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2)n1nnc2ccccc21 ZINC001157421842 815431907 /nfs/dbraw/zinc/43/19/07/815431907.db2.gz IZTSOCOZKNRNPH-OTYXRUKQSA-N 2 2 299.338 -0.718 20 0 CBADLP Cc1nc(NC[C@H](O)CNC(=O)[C@H]2CCC[N@H+]2C)cc[nH+]1 ZINC001105751159 811251686 /nfs/dbraw/zinc/25/16/86/811251686.db2.gz WKSVJHQXTXKNBJ-NWDGAFQWSA-N 2 2 293.371 -0.232 20 0 CBADLP Cc1nc(NC[C@H](O)CNC(=O)[C@H]2CCC[N@@H+]2C)cc[nH+]1 ZINC001105751159 811251688 /nfs/dbraw/zinc/25/16/88/811251688.db2.gz WKSVJHQXTXKNBJ-NWDGAFQWSA-N 2 2 293.371 -0.232 20 0 CBADLP Cc1cc(N(C(N)=[NH2+])C(=O)[C@@H]([NH3+])CC[S@](C)=O)n[nH]1 ZINC001157440591 815434157 /nfs/dbraw/zinc/43/41/57/815434157.db2.gz ZDEXBNNKAJUXNR-IIYDVTGLSA-N 2 2 286.361 -0.960 20 0 CBADLP Cc1nc(NC[C@@H](O)CNC(=O)C[NH+]2CCCC2)cc[nH+]1 ZINC001105856130 811270070 /nfs/dbraw/zinc/27/00/70/811270070.db2.gz OKPNDENDRXSYPP-GFCCVEGCSA-N 2 2 293.371 -0.230 20 0 CBADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C[NH2+]CC(N)=O ZINC001106799701 811316905 /nfs/dbraw/zinc/31/69/05/811316905.db2.gz MRGIZENKMVFYPW-NXEZZACHSA-N 2 2 279.344 -0.878 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C[NH2+]CC(N)=O)[C@H](C)C1 ZINC001106922780 811319298 /nfs/dbraw/zinc/31/92/98/811319298.db2.gz MKIASGYBDCAKJM-MWLCHTKSSA-N 2 2 293.371 -0.570 20 0 CBADLP C[N@@H+]1CCN(C(=O)[C@@H](N)C[NH3+])[C@H](c2ccccc2)C1 ZINC001157496245 815439973 /nfs/dbraw/zinc/43/99/73/815439973.db2.gz TUVQUJXFKQHXBS-STQMWFEESA-N 2 2 262.357 -0.212 20 0 CBADLP C[N@H+]1CCN(C(=O)[C@@H](N)C[NH3+])[C@H](c2ccccc2)C1 ZINC001157496245 815439975 /nfs/dbraw/zinc/43/99/75/815439975.db2.gz TUVQUJXFKQHXBS-STQMWFEESA-N 2 2 262.357 -0.212 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@]1(C)C[NH+](CCO)CCO1 ZINC001107816681 811374167 /nfs/dbraw/zinc/37/41/67/811374167.db2.gz HMPGCPJCZCXGRK-GXTWGEPZSA-N 2 2 285.388 -0.720 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@]1(C)C[NH+](CCO)CCO1 ZINC001107816681 811374179 /nfs/dbraw/zinc/37/41/79/811374179.db2.gz HMPGCPJCZCXGRK-GXTWGEPZSA-N 2 2 285.388 -0.720 20 0 CBADLP C[NH+]1CCC[C@H]1C(=O)NC[C@]1(C)C[N@H+](CCO)CCO1 ZINC001107816681 811374188 /nfs/dbraw/zinc/37/41/88/811374188.db2.gz HMPGCPJCZCXGRK-GXTWGEPZSA-N 2 2 285.388 -0.720 20 0 CBADLP C[NH+]1CCC[C@H]1C(=O)NC[C@]1(C)C[N@@H+](CCO)CCO1 ZINC001107816681 811374197 /nfs/dbraw/zinc/37/41/97/811374197.db2.gz HMPGCPJCZCXGRK-GXTWGEPZSA-N 2 2 285.388 -0.720 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@]1(C)C[NH+](CCO)CCO1 ZINC001107816682 811376921 /nfs/dbraw/zinc/37/69/21/811376921.db2.gz HMPGCPJCZCXGRK-JSGCOSHPSA-N 2 2 285.388 -0.720 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@@]1(C)C[NH+](CCO)CCO1 ZINC001107816682 811376932 /nfs/dbraw/zinc/37/69/32/811376932.db2.gz HMPGCPJCZCXGRK-JSGCOSHPSA-N 2 2 285.388 -0.720 20 0 CBADLP C[NH+]1CCC[C@H]1C(=O)NC[C@@]1(C)C[N@H+](CCO)CCO1 ZINC001107816682 811376942 /nfs/dbraw/zinc/37/69/42/811376942.db2.gz HMPGCPJCZCXGRK-JSGCOSHPSA-N 2 2 285.388 -0.720 20 0 CBADLP C[NH+]1CCC[C@H]1C(=O)NC[C@@]1(C)C[N@@H+](CCO)CCO1 ZINC001107816682 811376947 /nfs/dbraw/zinc/37/69/47/811376947.db2.gz HMPGCPJCZCXGRK-JSGCOSHPSA-N 2 2 285.388 -0.720 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@]1(C)C[NH+](CCCO)CCO1 ZINC001107817420 811377013 /nfs/dbraw/zinc/37/70/13/811377013.db2.gz QLGUBODBLATCAH-UKRRQHHQSA-N 2 2 299.415 -0.330 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@]1(C)C[NH+](CCCO)CCO1 ZINC001107817420 811377021 /nfs/dbraw/zinc/37/70/21/811377021.db2.gz QLGUBODBLATCAH-UKRRQHHQSA-N 2 2 299.415 -0.330 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@]1(C)C[N@H+](CCCO)CCO1 ZINC001107817420 811377029 /nfs/dbraw/zinc/37/70/29/811377029.db2.gz QLGUBODBLATCAH-UKRRQHHQSA-N 2 2 299.415 -0.330 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@]1(C)C[N@@H+](CCCO)CCO1 ZINC001107817420 811377037 /nfs/dbraw/zinc/37/70/37/811377037.db2.gz QLGUBODBLATCAH-UKRRQHHQSA-N 2 2 299.415 -0.330 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NC[C@]1(C)C[N@H+](CCO)CCO1 ZINC001108075807 811408522 /nfs/dbraw/zinc/40/85/22/811408522.db2.gz FKXZTMHQEPWZHS-CQSZACIVSA-N 2 2 296.371 -0.609 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NC[C@]1(C)C[N@@H+](CCO)CCO1 ZINC001108075807 811408530 /nfs/dbraw/zinc/40/85/30/811408530.db2.gz FKXZTMHQEPWZHS-CQSZACIVSA-N 2 2 296.371 -0.609 20 0 CBADLP O=C(N1CCc2cnccc2C1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001157568322 815446539 /nfs/dbraw/zinc/44/65/39/815446539.db2.gz RPEHBWGQAMZJKI-DZGCQCFKSA-N 2 2 272.352 -0.082 20 0 CBADLP C[C@H]1CC[N@H+](CC(=O)NC[C@]2(C)C[NH+](CCO)CCO2)C1 ZINC001108216305 811425589 /nfs/dbraw/zinc/42/55/89/811425589.db2.gz WGQWKPADTZFPII-DZGCQCFKSA-N 2 2 299.415 -0.472 20 0 CBADLP C[C@H]1CC[N@@H+](CC(=O)NC[C@]2(C)C[NH+](CCO)CCO2)C1 ZINC001108216305 811425591 /nfs/dbraw/zinc/42/55/91/811425591.db2.gz WGQWKPADTZFPII-DZGCQCFKSA-N 2 2 299.415 -0.472 20 0 CBADLP C[C@H]1CC[NH+](CC(=O)NC[C@]2(C)C[N@H+](CCO)CCO2)C1 ZINC001108216305 811425592 /nfs/dbraw/zinc/42/55/92/811425592.db2.gz WGQWKPADTZFPII-DZGCQCFKSA-N 2 2 299.415 -0.472 20 0 CBADLP C[C@H]1CC[NH+](CC(=O)NC[C@]2(C)C[N@@H+](CCO)CCO2)C1 ZINC001108216305 811425596 /nfs/dbraw/zinc/42/55/96/811425596.db2.gz WGQWKPADTZFPII-DZGCQCFKSA-N 2 2 299.415 -0.472 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NC[C@]1(C)C[NH+](CCO)CCO1 ZINC001108421650 811445654 /nfs/dbraw/zinc/44/56/54/811445654.db2.gz RCTQENZPSMPLIQ-CQSZACIVSA-N 2 2 287.404 -0.474 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NC[C@]1(C)C[NH+](CCO)CCO1 ZINC001108421650 811445660 /nfs/dbraw/zinc/44/56/60/811445660.db2.gz RCTQENZPSMPLIQ-CQSZACIVSA-N 2 2 287.404 -0.474 20 0 CBADLP CC(C)[NH+](C)CC(=O)NC[C@]1(C)C[N@H+](CCO)CCO1 ZINC001108421650 811445664 /nfs/dbraw/zinc/44/56/64/811445664.db2.gz RCTQENZPSMPLIQ-CQSZACIVSA-N 2 2 287.404 -0.474 20 0 CBADLP CC(C)[NH+](C)CC(=O)NC[C@]1(C)C[N@@H+](CCO)CCO1 ZINC001108421650 811445669 /nfs/dbraw/zinc/44/56/69/811445669.db2.gz RCTQENZPSMPLIQ-CQSZACIVSA-N 2 2 287.404 -0.474 20 0 CBADLP C[C@]1(CNC(=O)Cn2cc[nH+]c2)C[N@H+](CCCO)CCO1 ZINC001108439696 811448075 /nfs/dbraw/zinc/44/80/75/811448075.db2.gz RPKUUMSPTRRYCJ-AWEZNQCLSA-N 2 2 296.371 -0.527 20 0 CBADLP C[C@]1(CNC(=O)Cn2cc[nH+]c2)C[N@@H+](CCCO)CCO1 ZINC001108439696 811448082 /nfs/dbraw/zinc/44/80/82/811448082.db2.gz RPKUUMSPTRRYCJ-AWEZNQCLSA-N 2 2 296.371 -0.527 20 0 CBADLP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001110006027 811507183 /nfs/dbraw/zinc/50/71/83/811507183.db2.gz RGPGCFKSMOUQDS-AGIUHOORSA-N 2 2 296.415 -0.075 20 0 CBADLP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001110006027 811507191 /nfs/dbraw/zinc/50/71/91/811507191.db2.gz RGPGCFKSMOUQDS-AGIUHOORSA-N 2 2 296.415 -0.075 20 0 CBADLP COC(=O)[C@]1(F)CCN(C(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)C1 ZINC001157716188 815455551 /nfs/dbraw/zinc/45/55/51/815455551.db2.gz MMPGZMZRCKXGAB-GWCFXTLKSA-N 2 2 298.318 -0.597 20 0 CBADLP C[NH+](C)C1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(N)=O)CCC1 ZINC001110663828 811529092 /nfs/dbraw/zinc/52/90/92/811529092.db2.gz AOSKOTATHOJEKL-UTUOFQBUSA-N 2 2 294.399 -0.323 20 0 CBADLP C[NH+](C)C1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(N)=O)CCC1 ZINC001110663828 811529099 /nfs/dbraw/zinc/52/90/99/811529099.db2.gz AOSKOTATHOJEKL-UTUOFQBUSA-N 2 2 294.399 -0.323 20 0 CBADLP C[C@H]1CN(C(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)CCCO1 ZINC001157703960 815454672 /nfs/dbraw/zinc/45/46/72/815454672.db2.gz UBMGZZXMTANPNR-GXSJLCMTSA-N 2 2 252.318 -0.083 20 0 CBADLP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001111169139 811541554 /nfs/dbraw/zinc/54/15/54/811541554.db2.gz DMZBQAAGPWYKJQ-UTUOFQBUSA-N 2 2 282.388 -0.465 20 0 CBADLP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001111169139 811541559 /nfs/dbraw/zinc/54/15/59/811541559.db2.gz DMZBQAAGPWYKJQ-UTUOFQBUSA-N 2 2 282.388 -0.465 20 0 CBADLP COC(=O)[C@@]1(F)CCN(C(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)C1 ZINC001157716189 815455913 /nfs/dbraw/zinc/45/59/13/815455913.db2.gz MMPGZMZRCKXGAB-GXFFZTMASA-N 2 2 298.318 -0.597 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CC(F)(F)CC[C@H]2CO)C1 ZINC001157731388 815459159 /nfs/dbraw/zinc/45/91/59/815459159.db2.gz XMSRXNQCPKAXSU-VGMNWLOBSA-N 2 2 263.288 -0.706 20 0 CBADLP COCCCC[NH+]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001112740071 811591350 /nfs/dbraw/zinc/59/13/50/811591350.db2.gz VPRKXYVYRARFQB-CQSZACIVSA-N 2 2 299.415 -0.112 20 0 CBADLP COCCCC[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001112740071 811591359 /nfs/dbraw/zinc/59/13/59/811591359.db2.gz VPRKXYVYRARFQB-CQSZACIVSA-N 2 2 299.415 -0.112 20 0 CBADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](F)C[C@H](CO)C1 ZINC001157730765 815459666 /nfs/dbraw/zinc/45/96/66/815459666.db2.gz ONDQXRYETDVFHV-ATZCPNFKSA-N 2 2 270.308 -0.542 20 0 CBADLP [NH3+]C[C@@]1(F)CCCN(C(=O)CN2CC[NH2+]CC2=O)CC1 ZINC001157741474 815460178 /nfs/dbraw/zinc/46/01/78/815460178.db2.gz XMLVQSFYSSNFNN-CYBMUJFWSA-N 2 2 286.351 -0.902 20 0 CBADLP COC[C@H](O)C[NH+]1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001112961825 811613109 /nfs/dbraw/zinc/61/31/09/811613109.db2.gz QHOXTHVOCQNXJR-CYBMUJFWSA-N 2 2 299.415 -0.378 20 0 CBADLP COC[C@H](O)C[NH+]1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001112969403 811613590 /nfs/dbraw/zinc/61/35/90/811613590.db2.gz DNXAQNDSTLUQDG-CQSZACIVSA-N 2 2 299.415 -0.378 20 0 CBADLP COC[C@H](O)C[NH+]1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001112969403 811613593 /nfs/dbraw/zinc/61/35/93/811613593.db2.gz DNXAQNDSTLUQDG-CQSZACIVSA-N 2 2 299.415 -0.378 20 0 CBADLP CC[C@H](C(=O)N1CC[NH+](C[C@@H](O)COC)CC1)[NH+](C)C ZINC001113007178 811615430 /nfs/dbraw/zinc/61/54/30/811615430.db2.gz MQGGBNCHSQAMIT-CHWSQXEVSA-N 2 2 287.404 -0.522 20 0 CBADLP COC(=O)[C@@H]1C[N@H+](C)CCN1c1ncnc2c1CC[NH2+]C2 ZINC001157771111 815464016 /nfs/dbraw/zinc/46/40/16/815464016.db2.gz XZHAXJSQBFCFMJ-LBPRGKRZSA-N 2 2 291.355 -0.584 20 0 CBADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1c1ncnc2c1CC[NH2+]C2 ZINC001157771111 815464020 /nfs/dbraw/zinc/46/40/20/815464020.db2.gz XZHAXJSQBFCFMJ-LBPRGKRZSA-N 2 2 291.355 -0.584 20 0 CBADLP COC(=O)[C@H]1C[N@H+](C)CCN1c1ncnc2c1CC[NH2+]C2 ZINC001157771110 815464030 /nfs/dbraw/zinc/46/40/30/815464030.db2.gz XZHAXJSQBFCFMJ-GFCCVEGCSA-N 2 2 291.355 -0.584 20 0 CBADLP COC(=O)[C@H]1C[N@@H+](C)CCN1c1ncnc2c1CC[NH2+]C2 ZINC001157771110 815464033 /nfs/dbraw/zinc/46/40/33/815464033.db2.gz XZHAXJSQBFCFMJ-GFCCVEGCSA-N 2 2 291.355 -0.584 20 0 CBADLP COC(=O)[C@@H]1C[N@H+](C)CCN1c1cc(C[NH3+])ncn1 ZINC001157771116 815464302 /nfs/dbraw/zinc/46/43/02/815464302.db2.gz YHCLPZCAADACNU-JTQLQIEISA-N 2 2 265.317 -0.771 20 0 CBADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1c1cc(C[NH3+])ncn1 ZINC001157771116 815464304 /nfs/dbraw/zinc/46/43/04/815464304.db2.gz YHCLPZCAADACNU-JTQLQIEISA-N 2 2 265.317 -0.771 20 0 CBADLP C[NH+](C)CCC(=O)N1CC[NH+](CCn2cccn2)CC1 ZINC001113300068 811630837 /nfs/dbraw/zinc/63/08/37/811630837.db2.gz FEMZRFCCKTWWCL-UHFFFAOYSA-N 2 2 279.388 -0.021 20 0 CBADLP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[NH+](CCOCCO)CC1 ZINC001113343876 811631909 /nfs/dbraw/zinc/63/19/09/811631909.db2.gz HMWUJKFRCGEPDO-CQSZACIVSA-N 2 2 299.415 -0.376 20 0 CBADLP C[C@@H]1CCC[N@H+]1CC(=O)N1CC[NH+](CCOCCO)CC1 ZINC001113343876 811631916 /nfs/dbraw/zinc/63/19/16/811631916.db2.gz HMWUJKFRCGEPDO-CQSZACIVSA-N 2 2 299.415 -0.376 20 0 CBADLP C[N@@H+]1CC[C@H](CC(=O)N2CC[NH+](CCOCCO)CC2)C1 ZINC001113536310 811645949 /nfs/dbraw/zinc/64/59/49/811645949.db2.gz MJIZYMDFINXBAA-CQSZACIVSA-N 2 2 299.415 -0.519 20 0 CBADLP C[N@H+]1CC[C@H](CC(=O)N2CC[NH+](CCOCCO)CC2)C1 ZINC001113536310 811645951 /nfs/dbraw/zinc/64/59/51/811645951.db2.gz MJIZYMDFINXBAA-CQSZACIVSA-N 2 2 299.415 -0.519 20 0 CBADLP COC[C@@H](O)C[NH+]1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001113686706 811656233 /nfs/dbraw/zinc/65/62/33/811656233.db2.gz RMDLXULQIMMJOE-ZDUSSCGKSA-N 2 2 287.404 -0.522 20 0 CBADLP COC[C@@H](O)C[NH+]1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001113686706 811656236 /nfs/dbraw/zinc/65/62/36/811656236.db2.gz RMDLXULQIMMJOE-ZDUSSCGKSA-N 2 2 287.404 -0.522 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CCC[C@](O)(CF)CC1 ZINC001157793346 815467221 /nfs/dbraw/zinc/46/72/21/815467221.db2.gz LBJTVOKANOKMER-JBLDHEPKSA-N 2 2 259.325 -0.754 20 0 CBADLP [NH3+]C[C@@]1(F)CCCN(C(=O)[C@@H]2C[C@H]([NH3+])C[NH2+]2)CC1 ZINC001157754903 815462837 /nfs/dbraw/zinc/46/28/37/815462837.db2.gz MWMLRFMPUNPTCK-JBLDHEPKSA-N 3 2 258.341 -0.645 20 0 CBADLP C[C@@H]1CCN(C(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)C[C@@H]1[NH3+] ZINC001157799852 815468525 /nfs/dbraw/zinc/46/85/25/815468525.db2.gz SVQQOAXMHSQMBB-HNCHTBHHSA-N 3 2 252.362 -0.866 20 0 CBADLP C[C@@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001157841806 815470552 /nfs/dbraw/zinc/47/05/52/815470552.db2.gz HXZBOSNZSMTHSX-SKENRDBWSA-N 3 2 266.389 -0.206 20 0 CBADLP COC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@H](C[NH3+])[C@H]1C ZINC001157844323 815470714 /nfs/dbraw/zinc/47/07/14/815470714.db2.gz WACJGQDRXKWWNE-BBBLOLIVSA-N 2 2 257.334 -0.537 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1[nH]cc[nH+]1 ZINC001114206870 811731477 /nfs/dbraw/zinc/73/14/77/811731477.db2.gz QWTGXZXHBOYXIM-DNJQJEMRSA-N 2 2 291.355 -0.738 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1[nH]cc[nH+]1 ZINC001114206870 811731487 /nfs/dbraw/zinc/73/14/87/811731487.db2.gz QWTGXZXHBOYXIM-DNJQJEMRSA-N 2 2 291.355 -0.738 20 0 CBADLP C[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1[nH+]ccn1C ZINC001114607001 811756212 /nfs/dbraw/zinc/75/62/12/811756212.db2.gz KDSITJYUHIIUAH-UUIJZJDISA-N 2 2 292.383 -0.220 20 0 CBADLP C[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1[nH+]ccn1C ZINC001114607001 811756219 /nfs/dbraw/zinc/75/62/19/811756219.db2.gz KDSITJYUHIIUAH-UUIJZJDISA-N 2 2 292.383 -0.220 20 0 CBADLP COCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cc[nH+]c1 ZINC001114652958 811758306 /nfs/dbraw/zinc/75/83/06/811758306.db2.gz WHUAOCNWIROBIZ-IMRBUKKESA-N 2 2 278.356 -0.034 20 0 CBADLP COCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cc[nH+]c1 ZINC001114652958 811758313 /nfs/dbraw/zinc/75/83/13/811758313.db2.gz WHUAOCNWIROBIZ-IMRBUKKESA-N 2 2 278.356 -0.034 20 0 CBADLP CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cc[nH+]c1 ZINC001114644638 811758875 /nfs/dbraw/zinc/75/88/75/811758875.db2.gz JZDSVRHXGFTBHE-YABSGUDNSA-N 2 2 291.355 -0.934 20 0 CBADLP CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cc[nH+]c1 ZINC001114644638 811758879 /nfs/dbraw/zinc/75/88/79/811758879.db2.gz JZDSVRHXGFTBHE-YABSGUDNSA-N 2 2 291.355 -0.934 20 0 CBADLP C[C@@H]1CC[C@H](CO)CN1C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001157854973 815473174 /nfs/dbraw/zinc/47/31/74/815473174.db2.gz KQWLIVHGBYHCDF-QNWJLWSRSA-N 2 2 267.373 -0.444 20 0 CBADLP O=C(N1CCCC(=O)[C@@H](F)C1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001157856573 815473252 /nfs/dbraw/zinc/47/32/52/815473252.db2.gz WJLSTEIUWBURAW-NRUUGDAUSA-N 2 2 269.320 -0.533 20 0 CBADLP C[C@@H]1CC[C@@H](CO)CN1C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001157854736 815473295 /nfs/dbraw/zinc/47/32/95/815473295.db2.gz HROBDIJMVNZOFB-WZRBSPASSA-N 2 2 280.372 -0.091 20 0 CBADLP C[C@H]1CC[C@@H](CO)CN1C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001157854734 815473787 /nfs/dbraw/zinc/47/37/87/815473787.db2.gz HROBDIJMVNZOFB-LOWVWBTDSA-N 2 2 280.372 -0.091 20 0 CBADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](O)[C@H](F)C1 ZINC001157854626 815473851 /nfs/dbraw/zinc/47/38/51/815473851.db2.gz GIAWLGWERJJARV-KXUCPTDWSA-N 2 2 256.281 -0.789 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2C[C@H](CO)CC(F)(F)C2)C1 ZINC001157899696 815478346 /nfs/dbraw/zinc/47/83/46/815478346.db2.gz BMLLTXHVRKWPSZ-HLTSFMKQSA-N 2 2 263.288 -0.848 20 0 CBADLP C[C@@]1(CO)CCCN(C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])CC1 ZINC001157901283 815479209 /nfs/dbraw/zinc/47/92/09/815479209.db2.gz YWFVUQRDCKUKLQ-GMXVVIOVSA-N 2 2 255.362 -0.456 20 0 CBADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)N2CC[C@@H](CO)[C@H](O)C2)cc1 ZINC001157903015 815479276 /nfs/dbraw/zinc/47/92/76/815479276.db2.gz DMDRRWHFZOVNTR-MELADBBJSA-N 2 2 293.367 -0.540 20 0 CBADLP COC[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001157922729 815483257 /nfs/dbraw/zinc/48/32/57/815483257.db2.gz WBMMPQONTGOFKP-ZDEQEGDKSA-N 2 2 267.373 -0.036 20 0 CBADLP COC[C@@H]1CCCCN1C(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001157922561 815483324 /nfs/dbraw/zinc/48/33/24/815483324.db2.gz RBVJCYWTJBDUDD-SGMGOOAPSA-N 2 2 267.373 -0.035 20 0 CBADLP [NH3+]CC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC001157971472 815493594 /nfs/dbraw/zinc/49/35/94/815493594.db2.gz YVFLFPKSDRIGIZ-QWHCGFSZSA-N 3 2 262.357 -0.164 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CC[C@](C)(O)C1 ZINC001157997236 815495426 /nfs/dbraw/zinc/49/54/26/815495426.db2.gz KVWPFVXNFAQWDJ-JQWIXIFHSA-N 2 2 252.318 -0.727 20 0 CBADLP O=C(N1CCc2n[nH]cc2C1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001157988177 815495634 /nfs/dbraw/zinc/49/56/34/815495634.db2.gz BMQBVTQQIOVYRV-GXFFZTMASA-N 2 2 261.329 -0.754 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCc2n[nH]cc2C1 ZINC001157989799 815496061 /nfs/dbraw/zinc/49/60/61/815496061.db2.gz UWEZUWNHARDJDS-NSHDSACASA-N 2 2 274.328 -0.402 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@H](CC(C)C)[NH2+]C ZINC001157997677 815497035 /nfs/dbraw/zinc/49/70/35/815497035.db2.gz CBURGVCQGTWJLW-RYUDHWBXSA-N 2 2 285.388 -0.016 20 0 CBADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@@H]1CC2(CC2)C[NH2+]1 ZINC001157998103 815497146 /nfs/dbraw/zinc/49/71/46/815497146.db2.gz DTOBCAWLFKDJLQ-WDEREUQCSA-N 2 2 281.356 -0.508 20 0 CBADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)C1CC[NH2+]CC1 ZINC001157999020 815497300 /nfs/dbraw/zinc/49/73/00/815497300.db2.gz MRGWBBKTOSNYQM-LLVKDONJSA-N 2 2 269.345 -0.651 20 0 CBADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@@]1(C)CC[NH2+]C1 ZINC001158005674 815498059 /nfs/dbraw/zinc/49/80/59/815498059.db2.gz BCUKHUGUWRCNIX-MFKMUULPSA-N 2 2 269.345 -0.651 20 0 CBADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)C=C1CC[NH2+]CC1 ZINC001158007465 815498199 /nfs/dbraw/zinc/49/81/99/815498199.db2.gz SMIMLUPCYAXVMS-GFCCVEGCSA-N 2 2 281.356 -0.340 20 0 CBADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])CC(F)F ZINC001158007193 815498318 /nfs/dbraw/zinc/49/83/18/815498318.db2.gz RBXFXGGWYMXRAR-JGVFFNPUSA-N 2 2 279.287 -0.668 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@H]([NH2+]C)[C@@H](C)CC ZINC001158005671 815498617 /nfs/dbraw/zinc/49/86/17/815498617.db2.gz BCSNJSHTDOCNMW-SDDRHHMPSA-N 2 2 285.388 -0.016 20 0 CBADLP C[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ncccn3)C[C@H]21 ZINC001114774886 812159533 /nfs/dbraw/zinc/15/95/33/812159533.db2.gz WKQPXOXAPRNJPU-JYAVWHMHSA-N 2 2 289.383 -0.025 20 0 CBADLP C[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ncccn3)C[C@H]21 ZINC001114774886 812159539 /nfs/dbraw/zinc/15/95/39/812159539.db2.gz WKQPXOXAPRNJPU-JYAVWHMHSA-N 2 2 289.383 -0.025 20 0 CBADLP O=C(N1CCC[C@]12CCC[NH2+]C2)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001158159489 815507283 /nfs/dbraw/zinc/50/72/83/815507283.db2.gz CJQCAPRFLVGQAG-VHDGCEQUSA-N 3 2 278.400 -0.318 20 0 CBADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CCC[C@@]12CCC[NH2+]C2 ZINC001158162777 815507582 /nfs/dbraw/zinc/50/75/82/815507582.db2.gz ZNBBHJHPGDDTEV-RMRHIDDWSA-N 3 2 278.400 -0.319 20 0 CBADLP NC(=O)c1cnc(Cl)cc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001158203859 815512295 /nfs/dbraw/zinc/51/22/95/815512295.db2.gz RMBFVBHKWKYMNN-SSDOTTSWSA-N 2 2 295.730 -0.118 20 0 CBADLP NC(=O)c1cc(Cl)nc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001158204605 815513838 /nfs/dbraw/zinc/51/38/38/815513838.db2.gz RZHDQZGKGWYXSJ-ZCFIWIBFSA-N 2 2 296.718 -0.723 20 0 CBADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ncnc2c1CC[NH2+]CC2 ZINC001158204351 815513868 /nfs/dbraw/zinc/51/38/68/815513868.db2.gz XWVYDYMORGAMJU-SNVBAGLBSA-N 3 2 288.355 -0.787 20 0 CBADLP CN(C)c1nccnc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001158204963 815513928 /nfs/dbraw/zinc/51/39/28/815513928.db2.gz YERFOKXJJQEYPK-SECBINFHSA-N 2 2 262.317 -0.410 20 0 CBADLP CCOC(=O)c1nccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001158209604 815513946 /nfs/dbraw/zinc/51/39/46/815513946.db2.gz ZQDVQFKEVFJAQB-SECBINFHSA-N 2 2 291.311 -0.299 20 0 CBADLP CCOc1cc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)ncn1 ZINC001158209261 815514088 /nfs/dbraw/zinc/51/40/88/815514088.db2.gz NWABOAXRCAOJTF-SECBINFHSA-N 2 2 263.301 -0.077 20 0 CBADLP O=C(N1CC2(C1)CCCO2)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001158235772 815515205 /nfs/dbraw/zinc/51/52/05/815515205.db2.gz QBVIWPWKXGJOFB-ZWNOBZJWSA-N 2 2 251.330 -0.671 20 0 CBADLP O=S1(=O)CCC[C@@H](C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC001117094454 812364495 /nfs/dbraw/zinc/36/44/95/812364495.db2.gz VKQNXKIXSJTHJH-SDDRHHMPSA-N 2 2 258.387 -0.038 20 0 CBADLP O=S1(=O)CCC[C@@H](C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC001117094454 812364504 /nfs/dbraw/zinc/36/45/04/812364504.db2.gz VKQNXKIXSJTHJH-SDDRHHMPSA-N 2 2 258.387 -0.038 20 0 CBADLP Cc1[nH]c2c([nH+]1)CCN(C(=O)[C@@H]([NH3+])CC[S@@](C)=O)CC2 ZINC001158347206 815521506 /nfs/dbraw/zinc/52/15/06/815521506.db2.gz HRALONLPDXAVBB-WVDJIFEKSA-N 2 2 298.412 -0.259 20 0 CBADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H]2CCO[C@H]2C1 ZINC001158340102 815521944 /nfs/dbraw/zinc/52/19/44/815521944.db2.gz YRMDFQAYDHIYLR-USWWRNFRSA-N 2 2 264.329 -0.083 20 0 CBADLP [NH3+]CCCCn1cc(C(=O)NCCn2cc[nH+]c2)nn1 ZINC001118281236 812517833 /nfs/dbraw/zinc/51/78/33/812517833.db2.gz GJHMVFIDPPSSRA-UHFFFAOYSA-N 2 2 277.332 -0.357 20 0 CBADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H](C2([NH3+])CC2)[C@H](CF)C1 ZINC001158567163 815538395 /nfs/dbraw/zinc/53/83/95/815538395.db2.gz FKTJUIFUYOTHIC-ADEWGFFLSA-N 3 2 295.362 -0.185 20 0 CBADLP CC(C)(CNC(=O)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21)[NH+]1CCOCC1 ZINC001119006000 812689005 /nfs/dbraw/zinc/68/90/05/812689005.db2.gz RTRHKBRMFXSHJY-SDDRHHMPSA-N 2 2 267.373 -0.179 20 0 CBADLP [NH3+][C@@H]1CN(c2cc(N3CCOCC3)[nH+]cn2)CC12COC2 ZINC001158765277 815546384 /nfs/dbraw/zinc/54/63/84/815546384.db2.gz XWFOBKDHBIBZIB-LLVKDONJSA-N 2 2 291.355 -0.523 20 0 CBADLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21 ZINC001119005393 812689651 /nfs/dbraw/zinc/68/96/51/812689651.db2.gz KVMJXLZQECGJGH-SDDRHHMPSA-N 2 2 267.373 -0.179 20 0 CBADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21 ZINC001119005393 812689656 /nfs/dbraw/zinc/68/96/56/812689656.db2.gz KVMJXLZQECGJGH-SDDRHHMPSA-N 2 2 267.373 -0.179 20 0 CBADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)C1(C)C[NH2+]C1 ZINC001119244425 812731989 /nfs/dbraw/zinc/73/19/89/812731989.db2.gz GUGZTELEMRLILZ-LLVKDONJSA-N 2 2 255.362 -0.177 20 0 CBADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)C1(C)C[NH2+]C1 ZINC001119244425 812731995 /nfs/dbraw/zinc/73/19/95/812731995.db2.gz GUGZTELEMRLILZ-LLVKDONJSA-N 2 2 255.362 -0.177 20 0 CBADLP C[NH2+]C[C@H](C)CNC(=O)/C=C\C[NH+]1CCOCC1 ZINC001119291501 812742758 /nfs/dbraw/zinc/74/27/58/812742758.db2.gz OVEBQSZFUUWLDF-MVZIDQBPSA-N 2 2 255.362 -0.154 20 0 CBADLP C[C@@H](C[NH2+]Cc1ncnn1C)N1CC[NH+](C)CC1 ZINC001119340192 812760099 /nfs/dbraw/zinc/76/00/99/812760099.db2.gz SYEHLGXVZILSPQ-NSHDSACASA-N 2 2 252.366 -0.459 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC001119368909 812770032 /nfs/dbraw/zinc/77/00/32/812770032.db2.gz OIHJOFPXPATIHK-PHIMTYICSA-N 2 2 268.361 -0.996 20 0 CBADLP Cn1c[nH+]cc1CNC(=O)NC1(C[NH3+])CCOCC1 ZINC001119381491 812772257 /nfs/dbraw/zinc/77/22/57/812772257.db2.gz OKWHLZRKQYRQOG-UHFFFAOYSA-N 2 2 267.333 -0.273 20 0 CBADLP C[NH+]1CCC([NH2+][C@H]2C(=O)NCC23CCOCC3)CC1 ZINC001119452559 812787413 /nfs/dbraw/zinc/78/74/13/812787413.db2.gz MBDINKRGSXSTQG-LBPRGKRZSA-N 2 2 267.373 -0.035 20 0 CBADLP C[NH+](C)CC1(O)CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001119599322 812828100 /nfs/dbraw/zinc/82/81/00/812828100.db2.gz FODWWHNPEQQZDR-UHFFFAOYSA-N 2 2 266.345 -0.133 20 0 CBADLP COCc1n[nH]c2c1CN(C(=O)[C@@]13C[NH2+]C[C@H]1CC[NH2+]3)C2 ZINC001159090962 815558824 /nfs/dbraw/zinc/55/88/24/815558824.db2.gz IKBMINNKLWWIJH-YMTOWFKASA-N 2 2 291.355 -0.650 20 0 CBADLP C[NH+]1CC(CNc2cc(N3CCC[C@@H]3C(N)=O)[nH+]cn2)C1 ZINC001159222101 815563387 /nfs/dbraw/zinc/56/33/87/815563387.db2.gz GVEFYNRRXPLPMN-LLVKDONJSA-N 2 2 290.371 -0.096 20 0 CBADLP Cn1nccc1[C@H](O)C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC001120277602 812946990 /nfs/dbraw/zinc/94/69/90/812946990.db2.gz KNXNSMJSFAVLTJ-DGCLKSJQSA-N 2 2 268.361 -0.502 20 0 CBADLP Cn1nccc1[C@H](O)C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC001120277602 812946996 /nfs/dbraw/zinc/94/69/96/812946996.db2.gz KNXNSMJSFAVLTJ-DGCLKSJQSA-N 2 2 268.361 -0.502 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@H](O)C[C@]1(O)CCOC1 ZINC001120376878 812955176 /nfs/dbraw/zinc/95/51/76/812955176.db2.gz NMGFBUZOELYRID-JHJVBQTASA-N 2 2 269.345 -0.236 20 0 CBADLP O=C1NCCCC[C@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC001120480136 812972857 /nfs/dbraw/zinc/97/28/57/812972857.db2.gz LIFCQCQLOMQZPK-VXGBXAGGSA-N 2 2 255.362 -0.299 20 0 CBADLP O=C1NCCCC[C@H]1[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC001120480134 812973083 /nfs/dbraw/zinc/97/30/83/812973083.db2.gz LIFCQCQLOMQZPK-NWDGAFQWSA-N 2 2 255.362 -0.299 20 0 CBADLP C[C@@H]([NH3+])[C@@H](C)NC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001120547447 812988854 /nfs/dbraw/zinc/98/88/54/812988854.db2.gz ZTQZSNVNZKMXDT-NXEZZACHSA-N 3 2 257.382 -0.556 20 0 CBADLP C[C@@H]([NH3+])[C@H](C)NC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001120547451 812989241 /nfs/dbraw/zinc/98/92/41/812989241.db2.gz ZTQZSNVNZKMXDT-ZJUUUORDSA-N 3 2 257.382 -0.556 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[NH+]3CCC2CC3)C1 ZINC001120688232 813010426 /nfs/dbraw/zinc/01/04/26/813010426.db2.gz ZONGJCRUIVVLCT-NWDGAFQWSA-N 2 2 253.346 -0.473 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[NH+]3CCC2CC3)C1 ZINC001120688232 813010433 /nfs/dbraw/zinc/01/04/33/813010433.db2.gz ZONGJCRUIVVLCT-NWDGAFQWSA-N 2 2 253.346 -0.473 20 0 CBADLP CN(C[C@H](O)C[NH+]1CCOCC1)c1cc[nH+]c(N)n1 ZINC001120822619 813022691 /nfs/dbraw/zinc/02/26/91/813022691.db2.gz ZBGHBRJMUJOXDW-JTQLQIEISA-N 2 2 267.333 -0.812 20 0 CBADLP CN(CC[NH3+])CCNc1cc(N2CCOCC2)[nH+]cn1 ZINC001159431474 815572599 /nfs/dbraw/zinc/57/25/99/815572599.db2.gz MOISFEFOHAYOQH-UHFFFAOYSA-N 2 2 280.376 -0.384 20 0 CBADLP Cc1nc(N[C@@H](CO)CNC(=O)C[NH+]2CCCC2)cc[nH+]1 ZINC001121579885 813071200 /nfs/dbraw/zinc/07/12/00/813071200.db2.gz BGNFPQQSZPWKGT-GFCCVEGCSA-N 2 2 293.371 -0.230 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)[C@]23CC[C@H]2C[NH2+]C3)CCO1 ZINC001121996201 813102305 /nfs/dbraw/zinc/10/23/05/813102305.db2.gz DRTMRPDFHPDJDD-OBJOEFQTSA-N 2 2 267.373 -0.177 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)[C@]23CC[C@H]2C[NH2+]C3)CCO1 ZINC001121996201 813102307 /nfs/dbraw/zinc/10/23/07/813102307.db2.gz DRTMRPDFHPDJDD-OBJOEFQTSA-N 2 2 267.373 -0.177 20 0 CBADLP C[C@@H](NC(=O)[C@@H]1C[C@@H]1C[NH3+])[C@@H](C)[NH+]1CCOCC1 ZINC001121997548 813102595 /nfs/dbraw/zinc/10/25/95/813102595.db2.gz GZZDXIDHAFZWAS-DDHJBXDOSA-N 2 2 255.362 -0.193 20 0 CBADLP CC[C@H](C(=O)NCC[NH+]1CCC([NH3+])CC1)[NH+](C)C ZINC001122157673 813126304 /nfs/dbraw/zinc/12/63/04/813126304.db2.gz SBTNCYAZAMYOMW-GFCCVEGCSA-N 3 2 256.394 -0.134 20 0 CBADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CC[NH2+]C[C@@H]1CO ZINC001122207504 813134582 /nfs/dbraw/zinc/13/45/82/813134582.db2.gz FBJBVXLFBQJEMV-SNVBAGLBSA-N 2 2 260.297 -0.031 20 0 CBADLP C[NH2+]C[C@@H]1CCCCN1C(=O)CN1CC[NH2+]CC1=O ZINC001122239969 813137582 /nfs/dbraw/zinc/13/75/82/813137582.db2.gz MTYXBTHQKITZPA-NSHDSACASA-N 2 2 268.361 -0.981 20 0 CBADLP CN(C)C(=O)C[NH2+]CCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001159537361 815579397 /nfs/dbraw/zinc/57/93/97/815579397.db2.gz VUHVOGBTCZAFPQ-UHFFFAOYSA-N 2 2 281.360 -0.474 20 0 CBADLP CN(C)C(=O)C[NH2+]CCCNC(=O)CCc1c[nH+]c[nH]1 ZINC001159537361 815579400 /nfs/dbraw/zinc/57/94/00/815579400.db2.gz VUHVOGBTCZAFPQ-UHFFFAOYSA-N 2 2 281.360 -0.474 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)NCCC[NH2+][C@H]1CCCNC1=O ZINC001159537162 815579888 /nfs/dbraw/zinc/57/98/88/815579888.db2.gz MSFSRKGABVJYOG-LBPRGKRZSA-N 2 2 293.371 -0.283 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)NCCC[NH2+][C@H]1CCCNC1=O ZINC001159537162 815579890 /nfs/dbraw/zinc/57/98/90/815579890.db2.gz MSFSRKGABVJYOG-LBPRGKRZSA-N 2 2 293.371 -0.283 20 0 CBADLP C[C@@H](NC(=O)C1CC[NH2+]CC1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001122447128 813164969 /nfs/dbraw/zinc/16/49/69/813164969.db2.gz BILZNJRWOZPZIY-YPMHNXCESA-N 2 2 268.405 -0.264 20 0 CBADLP C[C@@H](NC(=O)C1CC[NH2+]CC1)[C@@H]1CN(C)CC[N@H+]1C ZINC001122447128 813164975 /nfs/dbraw/zinc/16/49/75/813164975.db2.gz BILZNJRWOZPZIY-YPMHNXCESA-N 2 2 268.405 -0.264 20 0 CBADLP Cc1nc(N[C@H](CO)CNC(=O)CC[NH+](C)C)cc[nH+]1 ZINC001122535260 813175094 /nfs/dbraw/zinc/17/50/94/813175094.db2.gz RKQNJLDYJQYIOF-NSHDSACASA-N 2 2 281.360 -0.374 20 0 CBADLP CCc1nnc(C[NH2+]CCNC(=O)[C@@H]2CCC[N@@H+]2C)o1 ZINC001124872542 813492563 /nfs/dbraw/zinc/49/25/63/813492563.db2.gz JXTMBYDSSBUPFS-JTQLQIEISA-N 2 2 281.360 -0.068 20 0 CBADLP CCc1nnc(C[NH2+]CCNC(=O)[C@@H]2CCC[N@H+]2C)o1 ZINC001124872542 813492569 /nfs/dbraw/zinc/49/25/69/813492569.db2.gz JXTMBYDSSBUPFS-JTQLQIEISA-N 2 2 281.360 -0.068 20 0 CBADLP Cc1nnc([C@@H](C)[NH2+]CCNC(=O)[C@H]2CCC[N@@H+]2C)[nH]1 ZINC001124877091 813494097 /nfs/dbraw/zinc/49/40/97/813494097.db2.gz BMNNPBPDMLZMNM-MWLCHTKSSA-N 2 2 280.376 -0.026 20 0 CBADLP Cc1nnc([C@@H](C)[NH2+]CCNC(=O)[C@H]2CCC[N@H+]2C)[nH]1 ZINC001124877091 813494103 /nfs/dbraw/zinc/49/41/03/813494103.db2.gz BMNNPBPDMLZMNM-MWLCHTKSSA-N 2 2 280.376 -0.026 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cnon1 ZINC001124877972 813494830 /nfs/dbraw/zinc/49/48/30/813494830.db2.gz JNKFPBGPLKCITF-JTQLQIEISA-N 2 2 253.306 -0.630 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cnon1 ZINC001124877972 813494835 /nfs/dbraw/zinc/49/48/35/813494835.db2.gz JNKFPBGPLKCITF-JTQLQIEISA-N 2 2 253.306 -0.630 20 0 CBADLP Cc1cc(C[NH2+]CCNC(=O)[C@H]2C[N@H+](C)CCO2)on1 ZINC001125213875 813532077 /nfs/dbraw/zinc/53/20/77/813532077.db2.gz MGOYNMUPYIVGDC-GFCCVEGCSA-N 2 2 282.344 -0.481 20 0 CBADLP Cc1cc(C[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)CCO2)on1 ZINC001125213875 813532079 /nfs/dbraw/zinc/53/20/79/813532079.db2.gz MGOYNMUPYIVGDC-GFCCVEGCSA-N 2 2 282.344 -0.481 20 0 CBADLP CCCNC(=O)C[NH2+]CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001126436720 813647479 /nfs/dbraw/zinc/64/74/79/813647479.db2.gz JHMJWRBERUHVRW-UHFFFAOYSA-N 2 2 281.360 -0.426 20 0 CBADLP Cn1cncc1C[NH2+]CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001126436762 813648227 /nfs/dbraw/zinc/64/82/27/813648227.db2.gz LAMNLPBYHRXUMQ-UHFFFAOYSA-N 2 2 276.344 -0.018 20 0 CBADLP O=C(CCc1[nH]cc[nH+]1)NCC[NH2+][C@@H]1CCCNC1=O ZINC001126436725 813648772 /nfs/dbraw/zinc/64/87/72/813648772.db2.gz JPFBWKBVQPAIPB-SNVBAGLBSA-N 2 2 279.344 -0.673 20 0 CBADLP CCCNC(=O)[C@H](C)[NH2+]CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001126447994 813649271 /nfs/dbraw/zinc/64/92/71/813649271.db2.gz NCUYVTDRTLACFP-NSHDSACASA-N 2 2 295.387 -0.037 20 0 CBADLP C[N@@H+]1CCC[C@H]1c1cc(C(=O)NCC[NH2+]CCCO)[nH]n1 ZINC001127772077 813746923 /nfs/dbraw/zinc/74/69/23/813746923.db2.gz COJQEZPADOESMF-ZDUSSCGKSA-N 2 2 295.387 -0.122 20 0 CBADLP C[N@H+]1CCC[C@H]1c1cc(C(=O)NCC[NH2+]CCCO)[nH]n1 ZINC001127772077 813746927 /nfs/dbraw/zinc/74/69/27/813746927.db2.gz COJQEZPADOESMF-ZDUSSCGKSA-N 2 2 295.387 -0.122 20 0 CBADLP CC[NH+](CC)C[C@@H](F)C(=O)NCC[NH2+]Cc1cnon1 ZINC001128533863 813778788 /nfs/dbraw/zinc/77/87/88/813778788.db2.gz RZULBDHLRXVZOY-LLVKDONJSA-N 2 2 287.339 -0.045 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)NCC[NH2+]CCN1CCNC1=O ZINC001128967242 813812053 /nfs/dbraw/zinc/81/20/53/813812053.db2.gz HXFFJJSJCUWEBV-UHFFFAOYSA-N 2 2 294.359 -0.927 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)NCC[NH2+]CCN1CCNC1=O ZINC001128967242 813812059 /nfs/dbraw/zinc/81/20/59/813812059.db2.gz HXFFJJSJCUWEBV-UHFFFAOYSA-N 2 2 294.359 -0.927 20 0 CBADLP CC(C)N(C)C(=O)C[NH2+]CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001128992193 813812537 /nfs/dbraw/zinc/81/25/37/813812537.db2.gz SYUNTSMOAGFQCN-UHFFFAOYSA-N 2 2 295.387 -0.085 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)NCC[NH2+]CC(=O)NCC1CC1 ZINC001128986481 813814518 /nfs/dbraw/zinc/81/45/18/813814518.db2.gz YKNJJPKPZRDUMB-UHFFFAOYSA-N 2 2 293.371 -0.426 20 0 CBADLP CN(C(=O)C[NH2+]CCNC(=O)CCc1c[nH]c[nH+]1)C1CC1 ZINC001128986315 813814997 /nfs/dbraw/zinc/81/49/97/813814997.db2.gz QFFJJHRKQIDRMJ-UHFFFAOYSA-N 2 2 293.371 -0.331 20 0 CBADLP C[NH+](C)[C@H](C(=O)NCC[NH2+]Cc1cnon1)C1CC1 ZINC001129444310 813845520 /nfs/dbraw/zinc/84/55/20/813845520.db2.gz QZONXGKIKUPLOO-NSHDSACASA-N 2 2 267.333 -0.384 20 0 CBADLP COC[C@@H](O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001129891134 813874893 /nfs/dbraw/zinc/87/48/93/813874893.db2.gz DRSAMNSLSICHTL-HBNTYKKESA-N 2 2 282.344 -0.774 20 0 CBADLP COC[C@@H](O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001129891134 813874903 /nfs/dbraw/zinc/87/49/03/813874903.db2.gz DRSAMNSLSICHTL-HBNTYKKESA-N 2 2 282.344 -0.774 20 0 CBADLP COC[C@H](O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001129891133 813875150 /nfs/dbraw/zinc/87/51/50/813875150.db2.gz DRSAMNSLSICHTL-GMTAPVOTSA-N 2 2 282.344 -0.774 20 0 CBADLP COC[C@H](O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001129891133 813875162 /nfs/dbraw/zinc/87/51/62/813875162.db2.gz DRSAMNSLSICHTL-GMTAPVOTSA-N 2 2 282.344 -0.774 20 0 CBADLP C[C@@H]([NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(=O)N(C)C ZINC001129892867 813875721 /nfs/dbraw/zinc/87/57/21/813875721.db2.gz COVVQJVGFAPLIR-GMTAPVOTSA-N 2 2 293.371 -0.304 20 0 CBADLP Cc1nnc(C[NH2+]CCNC(=O)[C@H](C(C)C)[NH+](C)C)[nH]1 ZINC001129949563 813882524 /nfs/dbraw/zinc/88/25/24/813882524.db2.gz FXOVRNUXNDHUKC-LBPRGKRZSA-N 2 2 282.392 -0.095 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2ncccn2)O1 ZINC001130180687 813913592 /nfs/dbraw/zinc/91/35/92/813913592.db2.gz UJVVCCNMZBYUCW-VXGBXAGGSA-N 2 2 293.371 -0.599 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2ncccn2)O1 ZINC001130180687 813913595 /nfs/dbraw/zinc/91/35/95/813913595.db2.gz UJVVCCNMZBYUCW-VXGBXAGGSA-N 2 2 293.371 -0.599 20 0 CBADLP NC(=O)C[NH2+]CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001130266051 813922226 /nfs/dbraw/zinc/92/22/26/813922226.db2.gz JUKUMLWNCIMZAZ-UHFFFAOYSA-N 2 2 261.285 -0.632 20 0 CBADLP O=C(NCC[NH2+]CCO)[C@@H]1CCn2c[nH+]cc2C1 ZINC001130406815 813936202 /nfs/dbraw/zinc/93/62/02/813936202.db2.gz FVHFEDVMXZLOOJ-SNVBAGLBSA-N 2 2 252.318 -0.856 20 0 CBADLP O=C(NCC[NH2+]CCCO)[C@@H]1CCn2c[nH+]cc2C1 ZINC001130407653 813936960 /nfs/dbraw/zinc/93/69/60/813936960.db2.gz VTUYQPGPNDFPDI-LLVKDONJSA-N 2 2 266.345 -0.466 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001130478257 813943655 /nfs/dbraw/zinc/94/36/55/813943655.db2.gz WUHIETMZDRJDLW-GHMZBOCLSA-N 2 2 293.371 -0.714 20 0 CBADLP COC[C@@H](O)C[NH2+]CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001130477498 813944132 /nfs/dbraw/zinc/94/41/32/813944132.db2.gz FCTNZMIJXBFLNK-RYUDHWBXSA-N 2 2 296.371 -0.841 20 0 CBADLP CNC(=O)C[NH2+]CCNC(=O)c1cccc2[nH+]ccn21 ZINC001131268585 814015200 /nfs/dbraw/zinc/01/52/00/814015200.db2.gz RZOFEMJKWVYXFY-UHFFFAOYSA-N 2 2 275.312 -0.600 20 0 CBADLP Cn1ncc(C[NH2+]CCNC(=O)c2ccc3c[nH+]cn3c2)n1 ZINC001131370333 814025540 /nfs/dbraw/zinc/02/55/40/814025540.db2.gz JDXXZEOCMDGIMN-UHFFFAOYSA-N 2 2 299.338 -0.018 20 0 CBADLP CCn1cc(C[NH2+]CCNC(=O)Cn2c[nH+]cc2C)nn1 ZINC001131387371 814026177 /nfs/dbraw/zinc/02/61/77/814026177.db2.gz MYPJLZRTRFEWRT-UHFFFAOYSA-N 2 2 291.359 -0.291 20 0 CBADLP CCn1ncnc1C[NH2+]CCNC(=O)Cn1c[nH+]cc1C ZINC001131380451 814026980 /nfs/dbraw/zinc/02/69/80/814026980.db2.gz MABQPTXFOHXDPI-UHFFFAOYSA-N 2 2 291.359 -0.291 20 0 CBADLP CCn1ncc(C[NH2+]CCNC(=O)Cn2c[nH+]cc2C)n1 ZINC001131380251 814027160 /nfs/dbraw/zinc/02/71/60/814027160.db2.gz ILJFWQQWRDRBBR-UHFFFAOYSA-N 2 2 291.359 -0.291 20 0 CBADLP C[C@@H]([NH2+]CCNC(=O)CCc1[nH+]ccn1C)C(=O)N(C)C ZINC001131656550 814051703 /nfs/dbraw/zinc/05/17/03/814051703.db2.gz RWYALDGYZLLPNV-LLVKDONJSA-N 2 2 295.387 -0.465 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)NCC[NH2+][C@@H]1CCN(C)C1=O ZINC001131656726 814051825 /nfs/dbraw/zinc/05/18/25/814051825.db2.gz WLPXKWYVXPGKEI-LLVKDONJSA-N 2 2 293.371 -0.711 20 0 CBADLP CC(C)(C)NC(=O)C[NH2+]CCNC(=O)CCn1cc[nH+]c1 ZINC001132079793 814099906 /nfs/dbraw/zinc/09/99/06/814099906.db2.gz MTWZVWOTZKBDKO-UHFFFAOYSA-N 2 2 295.387 -0.106 20 0 CBADLP Cn1nccc1C[NH2+]CCNC(=O)CCn1cc[nH+]c1 ZINC001132079545 814099930 /nfs/dbraw/zinc/09/99/30/814099930.db2.gz AAIJLXPDBQQROG-UHFFFAOYSA-N 2 2 276.344 -0.087 20 0 CBADLP CN1CCC[C@H]([NH2+]CCNC(=O)CCn2cc[nH+]c2)C1=O ZINC001132079927 814100301 /nfs/dbraw/zinc/10/03/01/814100301.db2.gz SUHGHHDHYYEIMG-LBPRGKRZSA-N 2 2 293.371 -0.400 20 0 CBADLP Cn1cc(C[NH2+]CCNC(=O)CCn2cc[nH+]c2)cn1 ZINC001132079875 814100418 /nfs/dbraw/zinc/10/04/18/814100418.db2.gz QRRFDXRTLHUAGQ-UHFFFAOYSA-N 2 2 276.344 -0.087 20 0 CBADLP CC[C@H]([NH2+]CCNC(=O)CCn1cc[nH+]c1)C(N)=O ZINC001132082916 814103194 /nfs/dbraw/zinc/10/31/94/814103194.db2.gz YMTNVFDQESPNNV-JTQLQIEISA-N 2 2 267.333 -0.757 20 0 CBADLP CN1CC[C@H]([NH2+]CCNC(=O)CCn2cc[nH+]c2)C1=O ZINC001132082830 814103339 /nfs/dbraw/zinc/10/33/39/814103339.db2.gz WZTFLCVTNWNZRT-NSHDSACASA-N 2 2 279.344 -0.790 20 0 CBADLP C[C@@H](O)C[NH2+]CCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001132783918 814189392 /nfs/dbraw/zinc/18/93/92/814189392.db2.gz AFWKTIBRTZEHRM-OCCSQVGLSA-N 2 2 299.415 -0.284 20 0 CBADLP C[C@@H](O)C[NH2+]CCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001132783918 814189394 /nfs/dbraw/zinc/18/93/94/814189394.db2.gz AFWKTIBRTZEHRM-OCCSQVGLSA-N 2 2 299.415 -0.284 20 0 CBADLP O=C(NCC[NH2+]CCO)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001132784378 814189417 /nfs/dbraw/zinc/18/94/17/814189417.db2.gz RYFYYDNSGKRCBH-CYBMUJFWSA-N 2 2 285.388 -0.672 20 0 CBADLP O=C(NCC[NH2+]CCO)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001132784378 814189423 /nfs/dbraw/zinc/18/94/23/814189423.db2.gz RYFYYDNSGKRCBH-CYBMUJFWSA-N 2 2 285.388 -0.672 20 0 CBADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2cnon2)C1 ZINC001132848456 814194109 /nfs/dbraw/zinc/19/41/09/814194109.db2.gz IIYYPRLMOHUCGC-GFCCVEGCSA-N 2 2 297.359 -0.615 20 0 CBADLP CC(C)[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2cnon2)C1 ZINC001132848456 814194114 /nfs/dbraw/zinc/19/41/14/814194114.db2.gz IIYYPRLMOHUCGC-GFCCVEGCSA-N 2 2 297.359 -0.615 20 0 CBADLP C[NH+](C)CC1(C(=O)NCC[NH2+]Cc2cnon2)CC1 ZINC001132994832 814205984 /nfs/dbraw/zinc/20/59/84/814205984.db2.gz DGUPLOVGZUUWFI-UHFFFAOYSA-N 2 2 267.333 -0.383 20 0 CBADLP C[NH+](C)CCCC(=O)NCC[NH2+]Cc1cnon1 ZINC001133043357 814212273 /nfs/dbraw/zinc/21/22/73/814212273.db2.gz VLRZHGPKNBKHSM-UHFFFAOYSA-N 2 2 255.322 -0.383 20 0 CBADLP Cc1nnc(C[NH2+]CCNC(=O)CCC[NH+](C)C)o1 ZINC001133040260 814212285 /nfs/dbraw/zinc/21/22/85/814212285.db2.gz IGSRNXNBEHQHPF-UHFFFAOYSA-N 2 2 269.349 -0.074 20 0 CBADLP CC[NH2+]CCNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(C)=O ZINC001133255498 814232985 /nfs/dbraw/zinc/23/29/85/814232985.db2.gz PNSZUHMKUAOADH-NSHDSACASA-N 2 2 267.333 -0.817 20 0 CBADLP CC[NH2+]CCNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(C)=O ZINC001133255498 814232992 /nfs/dbraw/zinc/23/29/92/814232992.db2.gz PNSZUHMKUAOADH-NSHDSACASA-N 2 2 267.333 -0.817 20 0 CBADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+]CCF ZINC001133254445 814233091 /nfs/dbraw/zinc/23/30/91/814233091.db2.gz BRBASKWQRUQVRR-NSHDSACASA-N 2 2 285.323 -0.868 20 0 CBADLP C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+]CC(N)=O ZINC001133354322 814247590 /nfs/dbraw/zinc/24/75/90/814247590.db2.gz OQQCBMPPVOQGRQ-NWDGAFQWSA-N 2 2 293.371 -0.557 20 0 CBADLP CNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001133659630 814283453 /nfs/dbraw/zinc/28/34/53/814283453.db2.gz FDUQRFWZQCCDMX-SECBINFHSA-N 2 2 279.344 -0.719 20 0 CBADLP O=C(NCC[NH2+]CCO)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001133667169 814284000 /nfs/dbraw/zinc/28/40/00/814284000.db2.gz ANPNFRWYIKBDOZ-VIFPVBQESA-N 2 2 252.318 -0.472 20 0 CBADLP C[C@@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]Cc1cnon1 ZINC001133823266 814302019 /nfs/dbraw/zinc/30/20/19/814302019.db2.gz AIYCHWJPLDPVPA-SNVBAGLBSA-N 2 2 267.333 -0.240 20 0 CBADLP C[C@@H]1CCC[N@H+]1CC(=O)NCC[NH2+]Cc1cnon1 ZINC001133823266 814302025 /nfs/dbraw/zinc/30/20/25/814302025.db2.gz AIYCHWJPLDPVPA-SNVBAGLBSA-N 2 2 267.333 -0.240 20 0 CBADLP C[C@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]Cc1cnon1 ZINC001133823265 814302668 /nfs/dbraw/zinc/30/26/68/814302668.db2.gz AIYCHWJPLDPVPA-JTQLQIEISA-N 2 2 267.333 -0.240 20 0 CBADLP C[C@H]1CCC[N@H+]1CC(=O)NCC[NH2+]Cc1cnon1 ZINC001133823265 814302676 /nfs/dbraw/zinc/30/26/76/814302676.db2.gz AIYCHWJPLDPVPA-JTQLQIEISA-N 2 2 267.333 -0.240 20 0 CBADLP Cc1nonc1C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001133868150 814314373 /nfs/dbraw/zinc/31/43/73/814314373.db2.gz ZWWMXIFUVNISIZ-ONGXEEELSA-N 2 2 281.360 -0.218 20 0 CBADLP Cc1nonc1C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001133868150 814314381 /nfs/dbraw/zinc/31/43/81/814314381.db2.gz ZWWMXIFUVNISIZ-ONGXEEELSA-N 2 2 281.360 -0.218 20 0 CBADLP Cn1nnnc1C[NH2+]CCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001133873145 814318365 /nfs/dbraw/zinc/31/83/65/814318365.db2.gz ONTVQMOTZLJIBH-UHFFFAOYSA-N 2 2 295.391 -0.852 20 0 CBADLP Cn1nnnc1C[NH2+]CCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001133873145 814318374 /nfs/dbraw/zinc/31/83/74/814318374.db2.gz ONTVQMOTZLJIBH-UHFFFAOYSA-N 2 2 295.391 -0.852 20 0 CBADLP Cn1nnnc1C[NH2+]CCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001133899706 814319417 /nfs/dbraw/zinc/31/94/17/814319417.db2.gz SWHKVRISHDFXPZ-UHFFFAOYSA-N 2 2 297.407 -0.606 20 0 CBADLP Cn1nnnc1C[NH2+]CCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001133899706 814319427 /nfs/dbraw/zinc/31/94/27/814319427.db2.gz SWHKVRISHDFXPZ-UHFFFAOYSA-N 2 2 297.407 -0.606 20 0 CBADLP COC[C@@H](O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001134049408 814347609 /nfs/dbraw/zinc/34/76/09/814347609.db2.gz GFWQDDUZOWGEMD-QJPTWQEYSA-N 2 2 296.371 -0.763 20 0 CBADLP CNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001134227533 814365348 /nfs/dbraw/zinc/36/53/48/814365348.db2.gz IILOZBNGXOZYRT-MNOVXSKESA-N 2 2 295.387 -0.039 20 0 CBADLP CC(C)CNC(=O)C[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001134397906 814379288 /nfs/dbraw/zinc/37/92/88/814379288.db2.gz YELISLYOAXDBKK-UHFFFAOYSA-N 2 2 281.360 -0.570 20 0 CBADLP Cc1ncc(C[NH2+]CCNC(=O)Cc2c[nH]c[nH+]2)cn1 ZINC001134396574 814379411 /nfs/dbraw/zinc/37/94/11/814379411.db2.gz AOVCMRSYHOLERA-UHFFFAOYSA-N 2 2 274.328 -0.043 20 0 CBADLP C[C@@H](NC(=O)C[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001134396658 814380951 /nfs/dbraw/zinc/38/09/51/814380951.db2.gz BZCQGQYXSQUCAU-SNVBAGLBSA-N 2 2 293.371 -0.427 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NCC[NH2+]CCNC(=O)C1CC1 ZINC001134397882 814381201 /nfs/dbraw/zinc/38/12/01/814381201.db2.gz XIPLXDFIVJRHJU-UHFFFAOYSA-N 2 2 279.344 -0.816 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NCC[NH2+]C[C@H]1CCc2ncnn21 ZINC001134397417 814381607 /nfs/dbraw/zinc/38/16/07/814381607.db2.gz MZIBKDHHSVOFBO-LLVKDONJSA-N 2 2 289.343 -0.563 20 0 CBADLP O=C(C[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1)NCC1CCC1 ZINC001134406939 814382710 /nfs/dbraw/zinc/38/27/10/814382710.db2.gz JFKCDOHALXULIE-UHFFFAOYSA-N 2 2 293.371 -0.426 20 0 CBADLP O=C(C[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1)NC1CCCC1 ZINC001134406938 814383517 /nfs/dbraw/zinc/38/35/17/814383517.db2.gz JEJPHZOITZETTD-UHFFFAOYSA-N 2 2 293.371 -0.283 20 0 CBADLP C[C@@H](CC(=O)NCC[NH2+]Cc1cnnn1C)n1cc[nH+]c1 ZINC001134498696 814388219 /nfs/dbraw/zinc/38/82/19/814388219.db2.gz NBDZVEDSHBMFTN-NSHDSACASA-N 2 2 291.359 -0.131 20 0 CBADLP C[C@H](CC(=O)NCC[NH2+][C@@H]1CCN(C)C1=O)n1cc[nH+]c1 ZINC001134517816 814391336 /nfs/dbraw/zinc/39/13/36/814391336.db2.gz SWMZIMCUVFGWKA-VXGBXAGGSA-N 2 2 293.371 -0.229 20 0 CBADLP C[C@@H](CC(=O)NCC[NH2+][C@@H]1CCN(C)C1=O)n1cc[nH+]c1 ZINC001134517814 814392300 /nfs/dbraw/zinc/39/23/00/814392300.db2.gz SWMZIMCUVFGWKA-NWDGAFQWSA-N 2 2 293.371 -0.229 20 0 CBADLP C[C@@H](C[C@H](C)[NH2+]CC(N)=O)NC(=O)CCc1[nH+]ccn1C ZINC001135057380 814433340 /nfs/dbraw/zinc/43/33/40/814433340.db2.gz UGXLWLKCBYMRRW-QWRGUYRKSA-N 2 2 295.387 -0.289 20 0 CBADLP CCNC(=O)C[NH2+]CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001135079997 814434725 /nfs/dbraw/zinc/43/47/25/814434725.db2.gz IWKBYKYTEQPPML-JTQLQIEISA-N 2 2 281.360 -0.570 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001135080604 814437447 /nfs/dbraw/zinc/43/74/47/814437447.db2.gz XZQIGEGNXRBCBE-VHSXEESVSA-N 2 2 281.360 -0.571 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001135080604 814437449 /nfs/dbraw/zinc/43/74/49/814437449.db2.gz XZQIGEGNXRBCBE-VHSXEESVSA-N 2 2 281.360 -0.571 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001135080603 814438000 /nfs/dbraw/zinc/43/80/00/814438000.db2.gz XZQIGEGNXRBCBE-UWVGGRQHSA-N 2 2 281.360 -0.571 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001135080603 814438007 /nfs/dbraw/zinc/43/80/07/814438007.db2.gz XZQIGEGNXRBCBE-UWVGGRQHSA-N 2 2 281.360 -0.571 20 0 CBADLP C[C@@H](C[C@H](C)[NH2+]CC(N)=O)NC(=O)CCn1cc[nH+]c1 ZINC001135136229 814438891 /nfs/dbraw/zinc/43/88/91/814438891.db2.gz GTGDCSJBFZKQHK-QWRGUYRKSA-N 2 2 281.360 -0.369 20 0 CBADLP C[C@H](C[C@H](C)NC(=O)CCn1cc[nH+]c1)[NH2+]CC(N)=O ZINC001135136228 814439381 /nfs/dbraw/zinc/43/93/81/814439381.db2.gz GTGDCSJBFZKQHK-MNOVXSKESA-N 2 2 281.360 -0.369 20 0 CBADLP O=C(CC[NH+]1CCOCC1)NCC[NH2+]Cc1ncccn1 ZINC001135350178 814468807 /nfs/dbraw/zinc/46/88/07/814468807.db2.gz PERKYINJTAYNDG-UHFFFAOYSA-N 2 2 293.371 -0.595 20 0 CBADLP C[C@H](C[C@H](C)[NH2+]CC(N)=O)NC(=O)Cc1c[nH]c[nH+]1 ZINC001135580029 814496342 /nfs/dbraw/zinc/49/63/42/814496342.db2.gz LRFGEUCKDWWWFD-DTWKUNHWSA-N 2 2 267.333 -0.690 20 0 CBADLP Cc1ncc(C[NH2+]CCNC(=O)Cc2[nH]cc[nH+]2)cn1 ZINC001135757813 814519217 /nfs/dbraw/zinc/51/92/17/814519217.db2.gz QTHYSGHGJHROCC-UHFFFAOYSA-N 2 2 274.328 -0.043 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NCC[NH2+]C[C@H]1CCc2ncnn21 ZINC001135757411 814519421 /nfs/dbraw/zinc/51/94/21/814519421.db2.gz BOCVJXYZFAYBQD-SNVBAGLBSA-N 2 2 289.343 -0.563 20 0 CBADLP COCCOCC[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001135756115 814519469 /nfs/dbraw/zinc/51/94/69/814519469.db2.gz WIVUALKRBOAZEC-UHFFFAOYSA-N 2 2 270.333 -0.679 20 0 CBADLP CC(C)[C@H](C)NC(=O)C[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001135754469 814519801 /nfs/dbraw/zinc/51/98/01/814519801.db2.gz CUBUEMBZMGSQBO-NSHDSACASA-N 2 2 295.387 -0.181 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NCC[NH2+]C[C@@H](O)CC(F)(F)F ZINC001135757848 814519980 /nfs/dbraw/zinc/51/99/80/814519980.db2.gz RWWIHCJJEPAPAG-QMMMGPOBSA-N 2 2 294.277 -0.029 20 0 CBADLP C[C@@H](O)CCC[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001135757382 814520062 /nfs/dbraw/zinc/52/00/62/814520062.db2.gz AIVZNXKYJVZING-SNVBAGLBSA-N 2 2 254.334 -0.181 20 0 CBADLP Cn1cc(C[NH2+]CCNC(=O)Cc2[nH]cc[nH+]2)cn1 ZINC001135760132 814521296 /nfs/dbraw/zinc/52/12/96/814521296.db2.gz IYRHUIQJQAJLMG-UHFFFAOYSA-N 2 2 262.317 -0.408 20 0 CBADLP C[C@@H](NC(=O)C[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001135760313 814521346 /nfs/dbraw/zinc/52/13/46/814521346.db2.gz LPNSVTLVTMTRPQ-SNVBAGLBSA-N 2 2 293.371 -0.427 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NCC[NH2+]CCNC(=O)C1CC1 ZINC001135758150 814521698 /nfs/dbraw/zinc/52/16/98/814521698.db2.gz ZOPJZJXUQHQHGP-UHFFFAOYSA-N 2 2 279.344 -0.816 20 0 CBADLP O=C(C[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1)NCC1CC1 ZINC001135760162 814522172 /nfs/dbraw/zinc/52/21/72/814522172.db2.gz JSDBKHJYUWDGRD-UHFFFAOYSA-N 2 2 279.344 -0.816 20 0 CBADLP C[C@H](C[C@H](C)NC(=O)Cc1c[nH+]cn1C)[NH2+]CCO ZINC001135949196 814539186 /nfs/dbraw/zinc/53/91/86/814539186.db2.gz JGCBOWHUFMPYPW-MNOVXSKESA-N 2 2 268.361 -0.172 20 0 CBADLP C[NH+]1CCC(OCC(=O)NCC[NH2+]Cc2cnon2)CC1 ZINC001135958866 814541130 /nfs/dbraw/zinc/54/11/30/814541130.db2.gz HGPGHKNDIMXZDP-UHFFFAOYSA-N 2 2 297.359 -0.614 20 0 CBADLP C[C@H](C[C@H](C)[NH2+]CC(N)=O)NC(=O)CCc1c[nH+]cn1C ZINC001136051902 814550148 /nfs/dbraw/zinc/55/01/48/814550148.db2.gz HNCWOAOEVWZZOE-WDEREUQCSA-N 2 2 295.387 -0.289 20 0 CBADLP C[NH+]1CC(C(=O)Nc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC001142592430 814721371 /nfs/dbraw/zinc/72/13/71/814721371.db2.gz WPOQSGLQXCSJIX-UHFFFAOYSA-N 2 2 290.371 -0.272 20 0 CBADLP CC[N@H+](C)CCC(=O)NCC[NH2+]Cc1nnc(C)o1 ZINC001146718832 814845084 /nfs/dbraw/zinc/84/50/84/814845084.db2.gz HBSOCUUONHEYIT-UHFFFAOYSA-N 2 2 269.349 -0.074 20 0 CBADLP CC[N@@H+](C)CCC(=O)NCC[NH2+]Cc1nnc(C)o1 ZINC001146718832 814845089 /nfs/dbraw/zinc/84/50/89/814845089.db2.gz HBSOCUUONHEYIT-UHFFFAOYSA-N 2 2 269.349 -0.074 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NCC[NH2+]CCn1cccn1 ZINC001147871727 814920288 /nfs/dbraw/zinc/92/02/88/814920288.db2.gz JIQJYOLVRZMZFE-UHFFFAOYSA-N 2 2 276.344 -0.435 20 0 CBADLP CO[C@H](C)C[NH2+]CCNC(=O)Cc1c[nH+]cn1C ZINC001147871678 814921383 /nfs/dbraw/zinc/92/13/83/814921383.db2.gz HUNZYDQALZWECE-SNVBAGLBSA-N 2 2 254.334 -0.297 20 0 CBADLP C[C@H]([NH2+]CCNC(=O)Cc1c[nH+]cn1C)C(=O)N(C)C ZINC001147877222 814922014 /nfs/dbraw/zinc/92/20/14/814922014.db2.gz HBHHRQIXADACNZ-JTQLQIEISA-N 2 2 281.360 -0.855 20 0 CBADLP Cc1nnc(C[NH2+]CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)o1 ZINC001147877935 814923269 /nfs/dbraw/zinc/92/32/69/814923269.db2.gz PXTKYSNGQVPBQW-NSHDSACASA-N 2 2 281.360 -0.074 20 0 CBADLP Cc1nnc(C[NH2+]CCNC(=O)C[C@@H]2CC[N@H+](C)C2)o1 ZINC001147877935 814923274 /nfs/dbraw/zinc/92/32/74/814923274.db2.gz PXTKYSNGQVPBQW-NSHDSACASA-N 2 2 281.360 -0.074 20 0 CBADLP CN(CC1CC[NH+](C)CC1)C(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160454331 815623727 /nfs/dbraw/zinc/62/37/27/815623727.db2.gz MNTWOIRZZPXTHB-UKRRQHHQSA-N 3 2 280.416 -0.262 20 0 CBADLP CN(CC1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001160455009 815625243 /nfs/dbraw/zinc/62/52/43/815625243.db2.gz WKHWJQYIHNVWHS-MELADBBJSA-N 3 2 280.416 -0.264 20 0 CBADLP Cc1cc(CN(C)C(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)n(C)n1 ZINC001160474437 815627133 /nfs/dbraw/zinc/62/71/33/815627133.db2.gz FHGHBMZGFQNSGC-LBPRGKRZSA-N 2 2 276.344 -0.020 20 0 CBADLP O=C(N1CCn2cccc2C1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160477014 815628611 /nfs/dbraw/zinc/62/86/11/815628611.db2.gz RDZLXTFTSMVDEO-BXUZGUMPSA-N 2 2 260.341 -0.218 20 0 CBADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)N1CCn2cccc2C1 ZINC001160476750 815628641 /nfs/dbraw/zinc/62/86/41/815628641.db2.gz MOUCRVFWGYBOPC-AWEZNQCLSA-N 2 2 291.399 -0.419 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CC(Oc2ccccc2)C1 ZINC001160497842 815630344 /nfs/dbraw/zinc/63/03/44/815630344.db2.gz FYJXYYWSOKNARD-STQMWFEESA-N 2 2 261.325 -0.177 20 0 CBADLP CN(C)C(=O)CN(C)C(=O)[C@H]1CCC[N@@H+]([C@H]2CC[NH2+]C2)C1 ZINC001160505254 815631766 /nfs/dbraw/zinc/63/17/66/815631766.db2.gz UHZSSAGGXFFOQN-STQMWFEESA-N 2 2 296.415 -0.393 20 0 CBADLP CN(C)C(=O)CN(C)C(=O)[C@H]1CCC[N@H+]([C@H]2CC[NH2+]C2)C1 ZINC001160505254 815631769 /nfs/dbraw/zinc/63/17/69/815631769.db2.gz UHZSSAGGXFFOQN-STQMWFEESA-N 2 2 296.415 -0.393 20 0 CBADLP Cn1cc2c(n1)CCN(C(=O)[C@@H]1C[C@H]3C[NH2+]C[C@H]3[NH2+]1)C2 ZINC001160558611 815636895 /nfs/dbraw/zinc/63/68/95/815636895.db2.gz QDSKOLXKHUBREW-TVYUQYBPSA-N 2 2 275.356 -0.745 20 0 CBADLP Cc1cc2n(n1)c(=O)cc(C)n2C(=O)C1([NH3+])CC[NH2+]CC1 ZINC001160563236 815638808 /nfs/dbraw/zinc/63/88/08/815638808.db2.gz BEBRFHPBOUHHMN-UHFFFAOYSA-N 2 2 289.339 -0.166 20 0 CBADLP CCOC(=O)[C@H]1CCCCN1C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001160580810 815641249 /nfs/dbraw/zinc/64/12/49/815641249.db2.gz BZXPZZZRCHQDSF-OUAUKWLOSA-N 2 2 269.345 -0.380 20 0 CBADLP COC(=O)[C@]1(C)CCCN(C(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)C1 ZINC001160635210 815646730 /nfs/dbraw/zinc/64/67/30/815646730.db2.gz HMMYCDCCXHDWMZ-NILFDRSVSA-N 2 2 295.383 -0.260 20 0 CBADLP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001160629527 815646757 /nfs/dbraw/zinc/64/67/57/815646757.db2.gz TXCLLTFOXLUGJG-KBPBESRZSA-N 4 2 299.463 -0.735 20 0 CBADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC001160637399 815647313 /nfs/dbraw/zinc/64/73/13/815647313.db2.gz MYONOIAPNYDVFO-VXGBXAGGSA-N 2 2 289.343 -0.265 20 0 CBADLP COC(=O)[C@@]1(C)CCCN(C(=O)C2([NH3+])CC[NH2+]CC2)C1 ZINC001160636623 815648124 /nfs/dbraw/zinc/64/81/24/815648124.db2.gz PMOSPGHEXKXIAH-ZDUSSCGKSA-N 2 2 283.372 -0.131 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCC[C@@H](n3cncn3)C2)C1 ZINC001160638510 815649119 /nfs/dbraw/zinc/64/91/19/815649119.db2.gz VMMHRDFFHSPNLG-MXWKQRLJSA-N 2 2 264.333 -0.869 20 0 CBADLP CO[C@@H]1CCCN(C(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)C1 ZINC001160647662 815651849 /nfs/dbraw/zinc/65/18/49/815651849.db2.gz QYRRKFNOXWMIND-MNOVXSKESA-N 2 2 252.318 -0.083 20 0 CBADLP C[NH+](C)C1(C)CN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)C1 ZINC001160646488 815652181 /nfs/dbraw/zinc/65/21/81/815652181.db2.gz ZGTBJXLHJYMWFC-GARJFASQSA-N 3 2 252.362 -0.901 20 0 CBADLP C[C@@H]1C[C@H](O)CCN1C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001160655445 815653353 /nfs/dbraw/zinc/65/33/53/815653353.db2.gz LZRMMAHWFCVVON-CJJWORHMSA-N 2 2 253.346 -0.420 20 0 CBADLP O=C(N1CCC(=O)C(F)(F)C1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160663402 815654569 /nfs/dbraw/zinc/65/45/69/815654569.db2.gz GPLUIWPUMUZQSO-KCJUWKMLSA-N 2 2 273.283 -0.625 20 0 CBADLP CN(Cc1ccon1)C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001160688385 815656711 /nfs/dbraw/zinc/65/67/11/815656711.db2.gz OYHHNQYBELUVSM-FOGDFJRCSA-N 2 2 250.302 -0.145 20 0 CBADLP CN(CCC1OCCO1)C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001160684725 815657744 /nfs/dbraw/zinc/65/77/44/815657744.db2.gz ZSWWQTGMYTYZAN-GARJFASQSA-N 2 2 269.345 -0.842 20 0 CBADLP CCN(CCn1cccn1)C(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160694356 815658826 /nfs/dbraw/zinc/65/88/26/815658826.db2.gz VBCWKDZCSOBCID-OCCSQVGLSA-N 2 2 277.372 -0.317 20 0 CBADLP O=C([C@H]1[NH2+]CC[C@H]1O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001160694159 815658997 /nfs/dbraw/zinc/65/89/97/815658997.db2.gz RRTYBZVSKHGZQF-MXWKQRLJSA-N 2 2 264.329 -0.162 20 0 CBADLP CN(C[C@H]1CCC[NH2+]C1)C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001160695794 815659027 /nfs/dbraw/zinc/65/90/27/815659027.db2.gz QAPTWVIVCSMXLV-ZDEQEGDKSA-N 3 2 266.389 -0.606 20 0 CBADLP COC(=O)[C@@H]([NH3+])CC(=O)N(C)C[C@@H]1CCC[NH2+]C1 ZINC001160695733 815659120 /nfs/dbraw/zinc/65/91/20/815659120.db2.gz POCMJLFRZSPGQR-ZJUUUORDSA-N 2 2 257.334 -0.665 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCO[C@@H](C(F)(F)F)C2)C1 ZINC001160706066 815661970 /nfs/dbraw/zinc/66/19/70/815661970.db2.gz WLQCGJMZIOUSAZ-GJMOJQLCSA-N 2 2 267.251 -0.535 20 0 CBADLP COC(=O)[C@H](C)N(C)C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001160718900 815663806 /nfs/dbraw/zinc/66/38/06/815663806.db2.gz XBTMHNNHZGWSLR-CBAPKCEASA-N 2 2 254.290 -0.701 20 0 CBADLP CCOC(=O)c1coc2c1CN(C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])C2 ZINC001160760204 815668434 /nfs/dbraw/zinc/66/84/34/815668434.db2.gz HGZJOYIQFGXEGM-KWQFWETISA-N 2 2 293.323 -0.155 20 0 CBADLP O=C(N1CCc2nccn2CC1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160760225 815668465 /nfs/dbraw/zinc/66/84/65/815668465.db2.gz HWKXBFALRSPGCG-FZMZJTMJSA-N 2 2 275.356 -0.781 20 0 CBADLP [NH3+][C@@H](C(=O)N1CCc2[nH+]ccn2CC1)C1CC[NH2+]CC1 ZINC001160760202 815669341 /nfs/dbraw/zinc/66/93/41/815669341.db2.gz HGFAKTIFIMEGPR-CYBMUJFWSA-N 3 2 277.372 -0.405 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CC[C@]2(C1)CC(F)(F)CO2 ZINC001160771684 815670385 /nfs/dbraw/zinc/67/03/85/815670385.db2.gz DGWSJALWRYWJMP-ATZCPNFKSA-N 2 2 275.299 -0.440 20 0 CBADLP COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)C2 ZINC001160819949 815674411 /nfs/dbraw/zinc/67/44/11/815674411.db2.gz PBYREJDBSPZMIK-KNZXXDILSA-N 2 2 281.356 -0.524 20 0 CBADLP COC(=O)C[C@@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)C1 ZINC001160834139 815675759 /nfs/dbraw/zinc/67/57/59/815675759.db2.gz YGOURZYGTWODQA-ZOWXZIJZSA-N 2 2 295.383 -0.260 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCOC[C@H]1C[NH+](C)C ZINC001160837322 815675891 /nfs/dbraw/zinc/67/58/91/815675891.db2.gz HXRCDPZRBCUHKI-OLZOCXBDSA-N 3 2 295.387 -0.921 20 0 CBADLP CCOC(=O)[C@H]1[C@@H]2CN(C(=O)[C@@H]3C[C@H]4C[NH2+]C[C@H]4[NH2+]3)C[C@@H]21 ZINC001160884552 815685774 /nfs/dbraw/zinc/68/57/74/815685774.db2.gz SYAFMDDXVIFXQU-ASHHDVGLSA-N 2 2 293.367 -0.796 20 0 CBADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N(CCO)CC(F)(F)F ZINC001160908959 815687507 /nfs/dbraw/zinc/68/75/07/815687507.db2.gz GPJVDOAPYMYBBP-QMMMGPOBSA-N 2 2 280.250 -0.337 20 0 CBADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N(CCO)CC(F)(F)F ZINC001160909379 815687552 /nfs/dbraw/zinc/68/75/52/815687552.db2.gz UFZMDTPRVRELGQ-XHNCKOQMSA-N 2 2 281.278 -0.681 20 0 CBADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H]([NH3+])CC(F)(F)C1 ZINC001160967017 815691018 /nfs/dbraw/zinc/69/10/18/815691018.db2.gz IJMCDPJEEFLYFT-IONNQARKSA-N 3 2 273.287 -0.526 20 0 CBADLP [NH3+][C@@H]1C[C@]2(C(=O)N3C[C@@H]([NH3+])CC(F)(F)C3)CC[C@H]1[NH2+]2 ZINC001160968662 815692903 /nfs/dbraw/zinc/69/29/03/815692903.db2.gz UITQYTBOJGXASI-SJQPAMGKSA-N 3 2 274.315 -0.597 20 0 CBADLP CC(C)OC1CN(C(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)C1 ZINC001161010784 815695010 /nfs/dbraw/zinc/69/50/10/815695010.db2.gz MZAFKZPRZFWYAC-LLVKDONJSA-N 2 2 252.318 -0.085 20 0 CBADLP NC(=S)C1CCN(C(=O)C2([NH3+])CC[NH2+]CC2)CC1 ZINC001161031124 815699730 /nfs/dbraw/zinc/69/97/30/815699730.db2.gz TYMWKHUDZSTBOF-UHFFFAOYSA-N 2 2 270.402 -0.408 20 0 CBADLP CC(=O)[C@H]1CCN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)C1 ZINC001161034825 815702240 /nfs/dbraw/zinc/70/22/40/815702240.db2.gz NQLBCRNSFAKESH-WGBDABJCSA-N 2 2 251.330 -0.354 20 0 CBADLP CN(C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001161057850 815705090 /nfs/dbraw/zinc/70/50/90/815705090.db2.gz IAKPVJAGKLTUTQ-OBPIAQAESA-N 3 2 266.389 -0.335 20 0 CBADLP Cc1nc(NCCN(CC[NH3+])N(O)N=O)nc(N(C)C)[nH+]1 ZINC001161092007 815713155 /nfs/dbraw/zinc/71/31/55/815713155.db2.gz HSPREYSAUDMOCA-UHFFFAOYSA-N 2 2 299.339 -0.794 20 0 CBADLP CCN(CCC(=O)OC)C(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001161129430 815717276 /nfs/dbraw/zinc/71/72/76/815717276.db2.gz BYJIYAHAGBFBRJ-SNVBAGLBSA-N 2 2 268.317 -0.309 20 0 CBADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)C2CCC(C[NH3+])CC2)C1 ZINC001161137439 815718231 /nfs/dbraw/zinc/71/82/31/815718231.db2.gz DLBQLDQKKVULRA-QIMFLAQGSA-N 2 2 283.372 -0.146 20 0 CBADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)[C@@H]([NH3+])c2ccccc2)C1 ZINC001161137099 815718607 /nfs/dbraw/zinc/71/86/07/815718607.db2.gz BVMVBFMRXXZPDV-SMDDNHRTSA-N 2 2 277.324 -0.211 20 0 CBADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@@H]2C[C@@H](F)CC[NH2+]2)C1 ZINC001161136927 815719053 /nfs/dbraw/zinc/71/90/53/815719053.db2.gz AHBQLPCAAJRQJC-AUTRQRHGSA-N 2 2 273.308 -0.821 20 0 CBADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@@H]([NH3+])Cc2ccsc2)C1 ZINC001161138812 815719932 /nfs/dbraw/zinc/71/99/32/815719932.db2.gz ZQYAQIHKIBTEOA-GWCFXTLKSA-N 2 2 297.380 -0.279 20 0 CBADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)c2cnc([C@H](C)[NH3+])s2)C1 ZINC001161139533 815720246 /nfs/dbraw/zinc/72/02/46/815720246.db2.gz WURPKGPXKGNVGA-JVXZTZIISA-N 2 2 298.368 -0.121 20 0 CBADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)[C@@H]([NH3+])CC2CCC2)C1 ZINC001161138613 815721062 /nfs/dbraw/zinc/72/10/62/815721062.db2.gz XCGIVSGLNXGDFT-GXFFZTMASA-N 2 2 269.345 -0.393 20 0 CBADLP CO[C@H](C)C1CN(C(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)C1 ZINC001161146851 815722404 /nfs/dbraw/zinc/72/24/04/815722404.db2.gz SOSVJXBZNXKQQX-CDMKHQONSA-N 2 2 253.346 -0.569 20 0 CBADLP CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]4C[NH2+]C[C@H]4[NH2+]3)C[C@@H]2C1 ZINC001161175304 815724300 /nfs/dbraw/zinc/72/43/00/815724300.db2.gz KQRLZLCSCIWZRL-YYFQZIEXSA-N 3 2 292.427 -0.264 20 0 CBADLP [NH3+]C1(C(=O)N2Cc3ccnn3CC[C@H]2CO)CC[NH2+]CC1 ZINC001161172873 815724465 /nfs/dbraw/zinc/72/44/65/815724465.db2.gz XXGHSSTUOOJGQL-LBPRGKRZSA-N 2 2 293.371 -0.943 20 0 CBADLP CC(C)(O)CC[NH+]1CCN(C(=O)[C@@H]2COC[NH2+]2)CC1 ZINC001161175966 815724482 /nfs/dbraw/zinc/72/44/82/815724482.db2.gz QBYNIRIEUBGLMP-NSHDSACASA-N 2 2 271.361 -0.763 20 0 CBADLP CCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])C[C@H]2C1 ZINC001161175235 815724858 /nfs/dbraw/zinc/72/48/58/815724858.db2.gz JFRSNMVFWDEYLS-NDBYEHHHSA-N 3 2 266.389 -0.667 20 0 CBADLP CCC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])C[C@@H]2C1 ZINC001161175234 815725016 /nfs/dbraw/zinc/72/50/16/815725016.db2.gz JFRSNMVFWDEYLS-CYDGBPFRSA-N 3 2 266.389 -0.667 20 0 CBADLP O=C(NCCC[NH2+]CCO)[C@@H]1CCn2c[nH+]cc2C1 ZINC001161215283 815729028 /nfs/dbraw/zinc/72/90/28/815729028.db2.gz QCFFILLBIFSWLK-LLVKDONJSA-N 2 2 266.345 -0.466 20 0 CBADLP COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1CC[NH2+]C[C@H]1F ZINC001161238410 815732095 /nfs/dbraw/zinc/73/20/95/815732095.db2.gz SYZIZWXOEGGMIR-AXFHLTTASA-N 2 2 287.335 -0.750 20 0 CBADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]1CC[NH2+]C[C@H]1F ZINC001161238410 815732100 /nfs/dbraw/zinc/73/21/00/815732100.db2.gz SYZIZWXOEGGMIR-AXFHLTTASA-N 2 2 287.335 -0.750 20 0 CBADLP O=C(N1CCC[C@H](n2ccnn2)C1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001161235665 815732314 /nfs/dbraw/zinc/73/23/14/815732314.db2.gz WACQIURVBXFQTE-SGMGOOAPSA-N 2 2 290.371 -0.607 20 0 CBADLP COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC001161236269 815732345 /nfs/dbraw/zinc/73/23/45/815732345.db2.gz CBZOTBPZNKPXFE-MXWKQRLJSA-N 2 2 269.345 -0.571 20 0 CBADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC001161236269 815732349 /nfs/dbraw/zinc/73/23/49/815732349.db2.gz CBZOTBPZNKPXFE-MXWKQRLJSA-N 2 2 269.345 -0.571 20 0 CBADLP COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC001161237712 815732386 /nfs/dbraw/zinc/73/23/86/815732386.db2.gz NRMSQRWMNGGELD-WOPDTQHZSA-N 2 2 283.372 -0.310 20 0 CBADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC001161237712 815732391 /nfs/dbraw/zinc/73/23/91/815732391.db2.gz NRMSQRWMNGGELD-WOPDTQHZSA-N 2 2 283.372 -0.310 20 0 CBADLP O=C(N1CCC[C@H](n2ccnn2)C1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001161235661 815732806 /nfs/dbraw/zinc/73/28/06/815732806.db2.gz WACQIURVBXFQTE-MBNYWOFBSA-N 2 2 290.371 -0.607 20 0 CBADLP CC(=O)N[C@@H]1CCCN(C(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)C1 ZINC001161271262 815736874 /nfs/dbraw/zinc/73/68/74/815736874.db2.gz ZTPZBCJGXDNJAQ-PWSUYJOCSA-N 2 2 279.344 -0.593 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CCC[C@@H](Oc2ncccn2)C1 ZINC001161294990 815737251 /nfs/dbraw/zinc/73/72/51/815737251.db2.gz CPTLITRGNNXYEV-WOPDTQHZSA-N 2 2 291.355 -0.607 20 0 CBADLP O=C(N1CCC2(CCC(=O)N2)CC1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001161296984 815738688 /nfs/dbraw/zinc/73/86/88/815738688.db2.gz PNTNWQSTTAVXSY-NHYWBVRUSA-N 2 2 292.383 -0.791 20 0 CBADLP CCN(C(=O)C1([NH3+])CC[NH2+]CC1)[C@H]1CCC[NH2+]C1 ZINC001161331279 815741160 /nfs/dbraw/zinc/74/11/60/815741160.db2.gz VYVKQLHKWAPWQC-NSHDSACASA-N 3 2 254.378 -0.332 20 0 CBADLP CC(C)N(C(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2)[C@H]1CC[NH2+]C1 ZINC001161350668 815745457 /nfs/dbraw/zinc/74/54/57/815745457.db2.gz AZEODHMWLPQJCJ-MBNYWOFBSA-N 3 2 266.389 -0.463 20 0 CBADLP CC(C)N(C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2)[C@H]1CC[NH2+]C1 ZINC001161352696 815745841 /nfs/dbraw/zinc/74/58/41/815745841.db2.gz YSSBTOKQZKPNIU-SFTQSGBHSA-N 3 2 266.389 -0.193 20 0 CBADLP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CC[C@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161376795 815749058 /nfs/dbraw/zinc/74/90/58/815749058.db2.gz DJFTVRGQKFUCTF-KBPBESRZSA-N 4 2 297.447 -0.533 20 0 CBADLP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C3([NH3+])CC[NH2+]CC3)C[C@@H]12 ZINC001161413773 815751166 /nfs/dbraw/zinc/75/11/66/815751166.db2.gz REZGVCZJQDNNKD-GMTAPVOTSA-N 3 2 252.362 -0.737 20 0 CBADLP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3CC[NH2+]4)C[C@@H]12 ZINC001161413352 815751507 /nfs/dbraw/zinc/75/15/07/815751507.db2.gz PJCPUGJKSURKSW-SKENRDBWSA-N 3 2 264.373 -0.866 20 0 CBADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001161412041 815751646 /nfs/dbraw/zinc/75/16/46/815751646.db2.gz FKLXWOSKLZKZHL-HKWIRBFKSA-N 3 2 263.345 -0.525 20 0 CBADLP COC(=O)[C@H]1CN(C(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)C[C@@H]1C ZINC001161459457 815757740 /nfs/dbraw/zinc/75/77/40/815757740.db2.gz LCLVQNWZRFEYTM-RMIALFOJSA-N 2 2 281.356 -0.795 20 0 CBADLP COC(=O)[C@H]1CN(C(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)C[C@@H]1C ZINC001161459454 815757758 /nfs/dbraw/zinc/75/77/58/815757758.db2.gz LCLVQNWZRFEYTM-AYGWYOGXSA-N 2 2 281.356 -0.795 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCC[C@@](C)(C[NH3+])C1 ZINC001161489368 815760589 /nfs/dbraw/zinc/76/05/89/815760589.db2.gz LXHYJGYAQVTQFQ-JSGCOSHPSA-N 3 2 279.388 -0.123 20 0 CBADLP C[C@]1(C[NH3+])CCCN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)C1 ZINC001161488954 815760648 /nfs/dbraw/zinc/76/06/48/815760648.db2.gz ITYCBTAJFHFYMJ-CIQGVGRVSA-N 3 2 266.389 -0.476 20 0 CBADLP Cc1nc2c(o1)CCN(C(=O)[C@@H]1C[C@H]3C[NH2+]C[C@H]3[NH2+]1)C2 ZINC001161524609 815765812 /nfs/dbraw/zinc/76/58/12/815765812.db2.gz XQAAOTLJFTXNLV-GARJFASQSA-N 2 2 276.340 -0.182 20 0 CBADLP CC(=O)[C@@H]1CCCN1C(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001161526848 815768054 /nfs/dbraw/zinc/76/80/54/815768054.db2.gz UAPYNJLYHDDJDW-GMXVVIOVSA-N 2 2 251.330 -0.482 20 0 CBADLP O=C(C[NH2+]C1CC[NH2+]CC1)N1CC[NH2+]C2(CC2)C1 ZINC001161545509 815769471 /nfs/dbraw/zinc/76/94/71/815769471.db2.gz VRXSZJYLVCGRQG-UHFFFAOYSA-N 3 2 252.362 -0.708 20 0 CBADLP COC(=O)c1[nH+]ccc(N[C@@H]2COC[C@@H]2[NH3+])c1C ZINC001162924895 815848769 /nfs/dbraw/zinc/84/87/69/815848769.db2.gz HXGRMVYMZWVHQY-WCBMZHEXSA-N 2 2 251.286 -0.263 20 0 CBADLP CC[C@H]([NH2+]CCCNC(=O)CCc1[nH+]ccn1C)C(N)=O ZINC001163050767 815855939 /nfs/dbraw/zinc/85/59/39/815855939.db2.gz MQOAWQHPLRAYQX-NSHDSACASA-N 2 2 295.387 -0.288 20 0 CBADLP CCN(C)c1cc(N[C@]23CC[NH2+][C@@H]2CC(=O)N3)nc[nH+]1 ZINC001163237414 815869260 /nfs/dbraw/zinc/86/92/60/815869260.db2.gz KYGPVXVVOBCAOA-RNCFNFMXSA-N 2 2 276.344 -0.077 20 0 CBADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCCC[NH2+]CCO ZINC001163275045 815877115 /nfs/dbraw/zinc/87/71/15/815877115.db2.gz OAADSLVZZWVRQH-CYBMUJFWSA-N 2 2 287.404 -0.425 20 0 CBADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NCCC[NH2+]CCO ZINC001163275045 815877122 /nfs/dbraw/zinc/87/71/22/815877122.db2.gz OAADSLVZZWVRQH-CYBMUJFWSA-N 2 2 287.404 -0.425 20 0 CBADLP CCNC(=O)C[NH2+]CCCNC(=O)CCn1cc[nH+]c1 ZINC001163594024 815891234 /nfs/dbraw/zinc/89/12/34/815891234.db2.gz RSALXAXOXUJNQR-UHFFFAOYSA-N 2 2 281.360 -0.495 20 0 CBADLP CN(CC[NH3+])c1cc(N2CCC[C@H]2C(N)=O)[nH+]cn1 ZINC001163690069 815895989 /nfs/dbraw/zinc/89/59/89/815895989.db2.gz JYXQNMKCXBQYJS-VIFPVBQESA-N 2 2 264.333 -0.674 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)NCCCNC(=O)Cn1cc[nH+]c1 ZINC001293203218 816512797 /nfs/dbraw/zinc/51/27/97/816512797.db2.gz XCVFPQSHGZPMOI-GFCCVEGCSA-N 2 2 293.371 -0.400 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)NCCCNC(=O)Cn1cc[nH+]c1 ZINC001293203218 816512803 /nfs/dbraw/zinc/51/28/03/816512803.db2.gz XCVFPQSHGZPMOI-GFCCVEGCSA-N 2 2 293.371 -0.400 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NCCCNC(=O)Cn1cc[nH+]c1 ZINC001293383153 816516758 /nfs/dbraw/zinc/51/67/58/816516758.db2.gz AITNBNYGJINPGT-UHFFFAOYSA-N 2 2 295.387 -0.154 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NCCCNC(=O)Cn1cc[nH+]c1 ZINC001293383153 816516761 /nfs/dbraw/zinc/51/67/61/816516761.db2.gz AITNBNYGJINPGT-UHFFFAOYSA-N 2 2 295.387 -0.154 20 0 CBADLP CC[C@H](C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1)[NH+](C)C ZINC001316982722 816914109 /nfs/dbraw/zinc/91/41/09/816914109.db2.gz PBNOVDTWJKVZCQ-NXEZZACHSA-N 2 2 256.350 -0.998 20 0 CBADLP CC[C@H](C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1)[NH+](C)C ZINC001316982722 816914114 /nfs/dbraw/zinc/91/41/14/816914114.db2.gz PBNOVDTWJKVZCQ-NXEZZACHSA-N 2 2 256.350 -0.998 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH2+]CCO ZINC001317272742 816956285 /nfs/dbraw/zinc/95/62/85/816956285.db2.gz VYUCHXOSNGWPQO-GMTAPVOTSA-N 2 2 266.345 -0.390 20 0 CBADLP C[N@H+](CCCO)CCNC(=O)CCn1cc[nH+]c1 ZINC001317456214 816985196 /nfs/dbraw/zinc/98/51/96/816985196.db2.gz XSUNPBYDINNOSS-UHFFFAOYSA-N 2 2 254.334 -0.296 20 0 CBADLP C[N@@H+](CCCO)CCNC(=O)CCn1cc[nH+]c1 ZINC001317456214 816985199 /nfs/dbraw/zinc/98/51/99/816985199.db2.gz XSUNPBYDINNOSS-UHFFFAOYSA-N 2 2 254.334 -0.296 20 0 CBADLP COCC[N@@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001317535527 817004249 /nfs/dbraw/zinc/00/42/49/817004249.db2.gz JBLOKFWPUTVEHJ-LBPRGKRZSA-N 2 2 266.345 -0.032 20 0 CBADLP COCC[N@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001317535527 817004256 /nfs/dbraw/zinc/00/42/56/817004256.db2.gz JBLOKFWPUTVEHJ-LBPRGKRZSA-N 2 2 266.345 -0.032 20 0 CBADLP CCN(C)C(=O)C[NH2+]CCN(C)C(=O)CCn1cc[nH+]c1 ZINC001317617808 817028867 /nfs/dbraw/zinc/02/88/67/817028867.db2.gz ZEUSRSSEMGDKGA-UHFFFAOYSA-N 2 2 295.387 -0.201 20 0 CBADLP C[N@@H+]1CCC[C@@H]1CCC(=O)NC1C[NH+](CCO)C1 ZINC001318034933 817068607 /nfs/dbraw/zinc/06/86/07/817068607.db2.gz ZHLJMGYGBGMGIX-GFCCVEGCSA-N 2 2 255.362 -0.347 20 0 CBADLP C[N@H+]1CCC[C@@H]1CCC(=O)NC1C[NH+](CCO)C1 ZINC001318034933 817068610 /nfs/dbraw/zinc/06/86/10/817068610.db2.gz ZHLJMGYGBGMGIX-GFCCVEGCSA-N 2 2 255.362 -0.347 20 0 CBADLP COCCOCC[NH+]1CC(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001318077748 817072925 /nfs/dbraw/zinc/07/29/25/817072925.db2.gz KFJCVKWXJSKWGT-CYBMUJFWSA-N 2 2 299.415 -0.208 20 0 CBADLP COCCOCC[NH+]1CC(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001318077748 817072931 /nfs/dbraw/zinc/07/29/31/817072931.db2.gz KFJCVKWXJSKWGT-CYBMUJFWSA-N 2 2 299.415 -0.208 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CC[N@@H+](CCO)C1 ZINC001318337491 817100598 /nfs/dbraw/zinc/10/05/98/817100598.db2.gz AFRDMPLYLURQAH-LLVKDONJSA-N 2 2 252.318 -0.475 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CC[N@H+](CCO)C1 ZINC001318337491 817100602 /nfs/dbraw/zinc/10/06/02/817100602.db2.gz AFRDMPLYLURQAH-LLVKDONJSA-N 2 2 252.318 -0.475 20 0 CBADLP CN1CC[NH+](CCCCNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001318912917 817148651 /nfs/dbraw/zinc/14/86/51/817148651.db2.gz VWYIXEFZSWHIMY-AWEZNQCLSA-N 2 2 298.431 -0.539 20 0 CBADLP CN1CC[NH+](CCCCNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001318912917 817148653 /nfs/dbraw/zinc/14/86/53/817148653.db2.gz VWYIXEFZSWHIMY-AWEZNQCLSA-N 2 2 298.431 -0.539 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]([NH2+]CCO)C(C)C ZINC001319958576 817260073 /nfs/dbraw/zinc/26/00/73/817260073.db2.gz UGPHAUPMHAYMLU-GFCCVEGCSA-N 2 2 268.361 -0.017 20 0 CBADLP CN(CC[N@H+](C)CCCO)C(=O)Cc1[nH]cc[nH+]1 ZINC001320066039 817275020 /nfs/dbraw/zinc/27/50/20/817275020.db2.gz CGEMKVPCBRUTTF-UHFFFAOYSA-N 2 2 254.334 -0.275 20 0 CBADLP CN(CC[N@@H+](C)CCCO)C(=O)Cc1[nH]cc[nH+]1 ZINC001320066039 817275024 /nfs/dbraw/zinc/27/50/24/817275024.db2.gz CGEMKVPCBRUTTF-UHFFFAOYSA-N 2 2 254.334 -0.275 20 0 CBADLP CC(C)C[NH2+]C[C@@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001320316766 817321183 /nfs/dbraw/zinc/32/11/83/817321183.db2.gz OIJOFEKTRWFZQR-LLVKDONJSA-N 2 2 254.334 -0.394 20 0 CBADLP C[C@@H](CC[NH2+]CC(N)=O)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001320469876 817341896 /nfs/dbraw/zinc/34/18/96/817341896.db2.gz PRFDAZIWPILVNN-WDEREUQCSA-N 2 2 293.371 -0.585 20 0 CBADLP CCN(CC[NH2+]CCCO)C(=O)Cn1cc[nH+]c1 ZINC001320933227 817412920 /nfs/dbraw/zinc/41/29/20/817412920.db2.gz ZEAOVBPTVMYJEA-UHFFFAOYSA-N 2 2 254.334 -0.296 20 0 CBADLP NC(=O)C[NH2+]C/C=C\CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001321126587 817445286 /nfs/dbraw/zinc/44/52/86/817445286.db2.gz OHTWWFTWNOFCRG-RFMOXSJOSA-N 2 2 291.355 -0.807 20 0 CBADLP C[NH+](C)C[C@@](C)(O)CNC(=O)CCc1[nH]cc[nH+]1 ZINC001321134024 817447884 /nfs/dbraw/zinc/44/78/84/817447884.db2.gz WSHXNLZAKGREDH-LBPRGKRZSA-N 2 2 254.334 -0.229 20 0 CBADLP C[C@@H]([NH2+]C/C=C\CNC(=O)CCc1c[nH+]cn1C)C(N)=O ZINC001321370732 817490843 /nfs/dbraw/zinc/49/08/43/817490843.db2.gz FUOJQTTXIXTDRY-DLRQAJBASA-N 2 2 293.371 -0.512 20 0 CBADLP OC[C@H]1CN(c2ccc(N3CC[NH2+]CC3)c[nH+]2)C[C@@H]1O ZINC001164546245 819926617 /nfs/dbraw/zinc/92/66/17/819926617.db2.gz ZIRWUKUWOAIFPE-YPMHNXCESA-N 2 2 278.356 -0.719 20 0 CBADLP [NH3+][C@H]1[C@H]2CN(c3ccc(N4CC[NH2+]CC4)c[nH+]3)C[C@@H]12 ZINC001165381996 819958958 /nfs/dbraw/zinc/95/89/58/819958958.db2.gz IDRSZVXVPYLZGV-DABQJJPHSA-N 3 2 259.357 -0.116 20 0 CBADLP C[C@H]1CCC[N@@H+]1CC(=O)NCCC[NH2+]Cc1nnn(C)n1 ZINC001166634857 820009746 /nfs/dbraw/zinc/00/97/46/820009746.db2.gz WEMJZFFMEMISCB-NSHDSACASA-N 2 2 295.391 -0.710 20 0 CBADLP C[C@H]1CCC[N@H+]1CC(=O)NCCC[NH2+]Cc1nnn(C)n1 ZINC001166634857 820009758 /nfs/dbraw/zinc/00/97/58/820009758.db2.gz WEMJZFFMEMISCB-NSHDSACASA-N 2 2 295.391 -0.710 20 0 CBADLP NC(=O)[C@H]1CCCN1c1cc(N2CCC([NH3+])CC2)[nH+]cn1 ZINC001166665476 820014144 /nfs/dbraw/zinc/01/41/44/820014144.db2.gz AALPKFJAPMTBCL-LLVKDONJSA-N 2 2 290.371 -0.142 20 0 CBADLP NC(=O)[C@H]1CCCN1c1cc(N2CCC([NH3+])CC2)nc[nH+]1 ZINC001166665476 820014149 /nfs/dbraw/zinc/01/41/49/820014149.db2.gz AALPKFJAPMTBCL-LLVKDONJSA-N 2 2 290.371 -0.142 20 0 CBADLP C[C@@H]1CC[N@H+](CC(=O)NCCC[NH2+]Cc2nnn(C)n2)C1 ZINC001166668340 820014698 /nfs/dbraw/zinc/01/46/98/820014698.db2.gz ZIEWQRZYXHSLBK-LLVKDONJSA-N 2 2 295.391 -0.852 20 0 CBADLP C[C@@H]1CC[N@@H+](CC(=O)NCCC[NH2+]Cc2nnn(C)n2)C1 ZINC001166668340 820014705 /nfs/dbraw/zinc/01/47/05/820014705.db2.gz ZIEWQRZYXHSLBK-LLVKDONJSA-N 2 2 295.391 -0.852 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NCCC[NH2+]CCOCCO ZINC001167347162 820080826 /nfs/dbraw/zinc/08/08/26/820080826.db2.gz ZRDHGGQBRPRWMK-UHFFFAOYSA-N 2 2 270.333 -0.943 20 0 CBADLP COC[C@@H](O)C[NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001167345874 820081567 /nfs/dbraw/zinc/08/15/67/820081567.db2.gz BISBUTFTIGBSOF-NSHDSACASA-N 2 2 270.333 -0.945 20 0 CBADLP N=c1cc(C[NH3+])ncn1-c1ncc2c(n1)C[NH2+]CC2 ZINC001167351135 820082819 /nfs/dbraw/zinc/08/28/19/820082819.db2.gz DUVWGPSTSFJXHL-UHFFFAOYSA-N 2 2 257.301 -0.754 20 0 CBADLP CCCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001167350023 820083932 /nfs/dbraw/zinc/08/39/32/820083932.db2.gz OGNUNWZYADSNOX-LLVKDONJSA-N 2 2 295.387 -0.037 20 0 CBADLP CCn1nncc1C[NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001167355578 820085006 /nfs/dbraw/zinc/08/50/06/820085006.db2.gz QBECVCIEQWQMMH-UHFFFAOYSA-N 2 2 291.359 -0.140 20 0 CBADLP CCCCNC(=O)C[NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001167355726 820086995 /nfs/dbraw/zinc/08/69/95/820086995.db2.gz XQADKIOUIISFJT-UHFFFAOYSA-N 2 2 295.387 -0.036 20 0 CBADLP C[C@@H](CC(=O)NCCC[NH2+][C@H]1CCNC1=O)n1cc[nH+]c1 ZINC001167429784 820090217 /nfs/dbraw/zinc/09/02/17/820090217.db2.gz XNGTWRZALVMDIW-RYUDHWBXSA-N 2 2 293.371 -0.181 20 0 CBADLP O=C(NCCC[NH2+]CCO)C1([NH+]2CCOCC2)CCCC1 ZINC001167509609 820097424 /nfs/dbraw/zinc/09/74/24/820097424.db2.gz RMSAOJSPMSKISM-UHFFFAOYSA-N 2 2 299.415 -0.280 20 0 CBADLP C[NH2+]CCNc1cc(N2CCC(C(N)=O)CC2)[nH+]cn1 ZINC001167722876 820113392 /nfs/dbraw/zinc/11/33/92/820113392.db2.gz DRHMPZAYDXVOBI-UHFFFAOYSA-N 2 2 278.360 -0.190 20 0 CBADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCC[NH2+][C@H]1CCNC1=O ZINC001167977727 820136417 /nfs/dbraw/zinc/13/64/17/820136417.db2.gz HZWBGXBDLNRVIL-JQWIXIFHSA-N 2 2 293.371 -0.427 20 0 CBADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCC[NH2+][C@H]1CCNC1=O ZINC001167977727 820136423 /nfs/dbraw/zinc/13/64/23/820136423.db2.gz HZWBGXBDLNRVIL-JQWIXIFHSA-N 2 2 293.371 -0.427 20 0 CBADLP CC[C@@H]([NH2+]CCCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C(N)=O ZINC001167977158 820137221 /nfs/dbraw/zinc/13/72/21/820137221.db2.gz HCZNBQKIIRCPTJ-CMPLNLGQSA-N 2 2 295.387 -0.052 20 0 CBADLP CC[C@@H]([NH2+]CCCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C(N)=O ZINC001167977158 820137227 /nfs/dbraw/zinc/13/72/27/820137227.db2.gz HCZNBQKIIRCPTJ-CMPLNLGQSA-N 2 2 295.387 -0.052 20 0 CBADLP CC[C@H]([NH2+]CCCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C(N)=O ZINC001167977172 820137519 /nfs/dbraw/zinc/13/75/19/820137519.db2.gz HCZNBQKIIRCPTJ-JQWIXIFHSA-N 2 2 295.387 -0.052 20 0 CBADLP CC[C@H]([NH2+]CCCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C(N)=O ZINC001167977172 820137523 /nfs/dbraw/zinc/13/75/23/820137523.db2.gz HCZNBQKIIRCPTJ-JQWIXIFHSA-N 2 2 295.387 -0.052 20 0 CBADLP OCC1(Nc2[nH+]cccc2N2CC[NH2+]CC2)COC1 ZINC001168178561 820147631 /nfs/dbraw/zinc/14/76/31/820147631.db2.gz VQWFEFJBDAEWQY-UHFFFAOYSA-N 2 2 264.329 -0.336 20 0 CBADLP Cn1cc(NC(=[NH2+])N2CC[NH+](C)CC2)cnc1=O ZINC001168736325 820169123 /nfs/dbraw/zinc/16/91/23/820169123.db2.gz FQVWHJNBRHDRPD-UHFFFAOYSA-N 2 2 250.306 -0.626 20 0 CBADLP C[NH+]1CCN(C(=[NH2+])Nc2nnc(Cl)cc2C(N)=O)CC1 ZINC001168736544 820169169 /nfs/dbraw/zinc/16/91/69/820169169.db2.gz ODVQHMXSIQOXKU-UHFFFAOYSA-N 2 2 297.750 -0.177 20 0 CBADLP COC(=O)c1cnccc1NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001168740408 820171533 /nfs/dbraw/zinc/17/15/33/820171533.db2.gz IIMNJHOBHYQPJU-UHFFFAOYSA-N 2 2 277.328 -0.116 20 0 CBADLP C[NH+]1CCN(c2cc(-n3cnc(C[NH3+])n3)ncn2)CC1 ZINC001168750654 820175142 /nfs/dbraw/zinc/17/51/42/820175142.db2.gz QLGOREFRTNLUJE-UHFFFAOYSA-N 2 2 274.332 -0.732 20 0 CBADLP [NH3+]Cc1nc(=O)[nH]n1-c1ccc2c(c1)COC21C[NH2+]C1 ZINC001168763486 820180876 /nfs/dbraw/zinc/18/08/76/820180876.db2.gz WRTROJWUQSJTGF-UHFFFAOYSA-N 2 2 273.296 -0.240 20 0 CBADLP CC(=O)Nc1nc(C)cc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001169070798 820203086 /nfs/dbraw/zinc/20/30/86/820203086.db2.gz BWHMVUMGMJHCSE-SNVBAGLBSA-N 2 2 290.327 -0.209 20 0 CBADLP COC(=O)c1ccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nc1 ZINC001169066798 820203293 /nfs/dbraw/zinc/20/32/93/820203293.db2.gz KECJJYNIPNXBIH-SNVBAGLBSA-N 2 2 276.296 -0.084 20 0 CBADLP CN(C)c1ccnc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001169067768 820203358 /nfs/dbraw/zinc/20/33/58/820203358.db2.gz XWLCGLXNXVYQDT-SECBINFHSA-N 2 2 262.317 -0.410 20 0 CBADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1[nH]ccc2nnnc1-2 ZINC001169066447 820203668 /nfs/dbraw/zinc/20/36/68/820203668.db2.gz CLNCARWXDSLTQA-SSDOTTSWSA-N 2 2 259.273 -0.599 20 0 CBADLP C[N@@H+]1CCc2ncnc(-n3c[nH+]cc3C[C@@H]([NH3+])CO)c2C1 ZINC001169071889 820204653 /nfs/dbraw/zinc/20/46/53/820204653.db2.gz HBVTZAAWWUNONK-SNVBAGLBSA-N 3 2 288.355 -0.488 20 0 CBADLP C[N@H+]1CCc2ncnc(-n3c[nH+]cc3C[C@@H]([NH3+])CO)c2C1 ZINC001169071889 820204661 /nfs/dbraw/zinc/20/46/61/820204661.db2.gz HBVTZAAWWUNONK-SNVBAGLBSA-N 3 2 288.355 -0.488 20 0 CBADLP NC(=S)c1cccnc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169072483 820204745 /nfs/dbraw/zinc/20/47/45/820204745.db2.gz SQRFQUSNCCXWNK-MRVPVSSYSA-N 2 2 277.353 -0.236 20 0 CBADLP CC(=O)NCc1ccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nc1 ZINC001169071900 820205268 /nfs/dbraw/zinc/20/52/68/820205268.db2.gz ORJYICMSLYFLBP-GFCCVEGCSA-N 2 2 289.339 -0.235 20 0 CBADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccc2c(n1)C[NH2+]CC2 ZINC001169072445 820205498 /nfs/dbraw/zinc/20/54/98/820205498.db2.gz SFPVSFQVEICAPD-LLVKDONJSA-N 3 2 273.340 -0.225 20 0 CBADLP COC(=O)c1cc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)ccn1 ZINC001169072246 820205645 /nfs/dbraw/zinc/20/56/45/820205645.db2.gz LGYRRVSORQPSQM-SECBINFHSA-N 2 2 276.296 -0.084 20 0 CBADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cncc2nncn21 ZINC001169075622 820206712 /nfs/dbraw/zinc/20/67/12/820206712.db2.gz KCMRMIGOYUAPSQ-MRVPVSSYSA-N 2 2 259.273 -0.828 20 0 CBADLP C[S@](=O)c1ncc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)cn1 ZINC001169075525 820207104 /nfs/dbraw/zinc/20/71/04/820207104.db2.gz HUMQISFABZAOBJ-YLVJLNSGSA-N 2 2 281.341 -0.738 20 0 CBADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1c[nH]c2coc(=O)c-2c1 ZINC001169076368 820207226 /nfs/dbraw/zinc/20/72/26/820207226.db2.gz QOEQYOYPEOZIBJ-MRVPVSSYSA-N 2 2 274.280 -0.200 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NCCC[NH2+]CC(=O)N1CCC1 ZINC001169198805 820212564 /nfs/dbraw/zinc/21/25/64/820212564.db2.gz BJGAARBCPKHEDD-UHFFFAOYSA-N 2 2 279.344 -0.720 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NCCC[NH2+]CCN1CCNC1=O ZINC001169204818 820213753 /nfs/dbraw/zinc/21/37/53/820213753.db2.gz RSCHOOXNQQYKIX-UHFFFAOYSA-N 2 2 294.359 -0.927 20 0 CBADLP CC[C@@H](C)NC(=O)C[NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001169205579 820213786 /nfs/dbraw/zinc/21/37/86/820213786.db2.gz ZYXBJFPUZNARPB-LLVKDONJSA-N 2 2 295.387 -0.037 20 0 CBADLP CCCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001169228600 820214032 /nfs/dbraw/zinc/21/40/32/820214032.db2.gz MAUPIKJGVXTJSC-LLVKDONJSA-N 2 2 295.387 -0.037 20 0 CBADLP CC[C@@H]([NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1)C(N)=O ZINC001169211650 820214210 /nfs/dbraw/zinc/21/42/10/820214210.db2.gz JNDFXZCFBQRYFG-SECBINFHSA-N 2 2 267.333 -0.688 20 0 CBADLP COC[C@@H](O)C[NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001169205273 820214277 /nfs/dbraw/zinc/21/42/77/820214277.db2.gz WXRJAASVGAVLOH-JTQLQIEISA-N 2 2 270.333 -0.945 20 0 CBADLP CC[C@H]([NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1)C(N)=O ZINC001169211651 820214513 /nfs/dbraw/zinc/21/45/13/820214513.db2.gz JNDFXZCFBQRYFG-VIFPVBQESA-N 2 2 267.333 -0.688 20 0 CBADLP COC[C@H](O)C[NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001169205274 820214588 /nfs/dbraw/zinc/21/45/88/820214588.db2.gz WXRJAASVGAVLOH-SNVBAGLBSA-N 2 2 270.333 -0.945 20 0 CBADLP CC(=O)N1CC[C@@H](n2c[nH+]cc2CCNC(=O)CC[NH3+])C1 ZINC001169511185 820249905 /nfs/dbraw/zinc/24/99/05/820249905.db2.gz VJKGHWMORZWXJU-CYBMUJFWSA-N 2 2 293.371 -0.316 20 0 CBADLP CC(=O)N1CC[C@H]([NH+]2CC(N3CC[NH+](C)CC3)C2)C1 ZINC001169562860 820254890 /nfs/dbraw/zinc/25/48/90/820254890.db2.gz IQRCAVJEUFTOCP-ZDUSSCGKSA-N 2 2 266.389 -0.461 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNc1cnc(O[C@@H]2CC[NH2+]C2)nc1 ZINC001169654781 820263071 /nfs/dbraw/zinc/26/30/71/820263071.db2.gz WDJVUJFQRAZRQL-QWHCGFSZSA-N 2 2 293.371 -0.040 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNc1cnc(O[C@@H]2CC[NH2+]C2)nc1 ZINC001169654781 820263077 /nfs/dbraw/zinc/26/30/77/820263077.db2.gz WDJVUJFQRAZRQL-QWHCGFSZSA-N 2 2 293.371 -0.040 20 0 CBADLP CCN(C)c1cc(N[C@@H]2C[NH2+]C[C@@H]2CO)nc[nH+]1 ZINC001170773405 820317036 /nfs/dbraw/zinc/31/70/36/820317036.db2.gz GPAATTIFUYLOOD-NXEZZACHSA-N 2 2 251.334 -0.075 20 0 CBADLP CC[C@]([NH3+])(CO)Nc1nccnc1N1CC[NH+](C)CC1 ZINC001170858586 820327968 /nfs/dbraw/zinc/32/79/68/820327968.db2.gz PDGHHRWIINOVLI-CYBMUJFWSA-N 2 2 280.376 -0.302 20 0 CBADLP C[C@@H](O)C[NH2+]CCCNC(=O)Cc1c[nH+]cn1C ZINC001171238031 820352914 /nfs/dbraw/zinc/35/29/14/820352914.db2.gz KPAPIVXLMWOMGG-SNVBAGLBSA-N 2 2 254.334 -0.561 20 0 CBADLP Cc1nnc(C[NH2+]CCCNC(=O)Cc2c[nH+]cn2C)[nH]1 ZINC001171236767 820353006 /nfs/dbraw/zinc/35/30/06/820353006.db2.gz BIUFEHAJMAGWAQ-UHFFFAOYSA-N 2 2 291.359 -0.315 20 0 CBADLP COC(=O)[C@@H](CCC[NH3+])[NH2+]C1C[C@@H]2COC[C@H](C1)N2C ZINC001172125357 820382282 /nfs/dbraw/zinc/38/22/82/820382282.db2.gz WPHHHGBULXJBKM-PSEXLTFBSA-N 2 2 285.388 -0.282 20 0 CBADLP COC(=O)[C@H]1C[N@H+](C)CCN1C1C[C@@H]2COC[C@H](C1)[NH+]2C ZINC001172142951 820384994 /nfs/dbraw/zinc/38/49/94/820384994.db2.gz OGGYJAUBXYTEDK-WTUNAVPPSA-N 2 2 297.399 -0.363 20 0 CBADLP COC(=O)[C@H]1C[N@@H+](C)CCN1C1C[C@@H]2COC[C@H](C1)[NH+]2C ZINC001172142951 820384999 /nfs/dbraw/zinc/38/49/99/820384999.db2.gz OGGYJAUBXYTEDK-WTUNAVPPSA-N 2 2 297.399 -0.363 20 0 CBADLP COC(=O)[C@H]1C[NH+](C)CCN1C1C[C@@H]2COC[C@H](C1)[N@@H+]2C ZINC001172142951 820385010 /nfs/dbraw/zinc/38/50/10/820385010.db2.gz OGGYJAUBXYTEDK-WTUNAVPPSA-N 2 2 297.399 -0.363 20 0 CBADLP COC(=O)[C@H]1C[NH+](C)CCN1C1C[C@@H]2COC[C@H](C1)[N@H+]2C ZINC001172142951 820385021 /nfs/dbraw/zinc/38/50/21/820385021.db2.gz OGGYJAUBXYTEDK-WTUNAVPPSA-N 2 2 297.399 -0.363 20 0 CBADLP [NH3+]C[C@@H]1C[N@@H+]([C@@H]2CCN3C(=O)CC[C@@H]3C2)CCO1 ZINC001172150770 820385757 /nfs/dbraw/zinc/38/57/57/820385757.db2.gz PRZOVGZXKFGPKG-IJLUTSLNSA-N 2 2 253.346 -0.201 20 0 CBADLP [NH3+]C[C@@H]1C[N@H+]([C@@H]2CCN3C(=O)CC[C@@H]3C2)CCO1 ZINC001172150770 820385765 /nfs/dbraw/zinc/38/57/65/820385765.db2.gz PRZOVGZXKFGPKG-IJLUTSLNSA-N 2 2 253.346 -0.201 20 0 CBADLP CCCNC(=O)C[NH2+]CCCNC(=O)Cc1[nH]c[nH+]c1C ZINC001174682276 820414980 /nfs/dbraw/zinc/41/49/80/820414980.db2.gz JFIOUCPOFMBYAF-UHFFFAOYSA-N 2 2 295.387 -0.117 20 0 CBADLP CCN(C)C(=O)C[NH2+]CCCNC(=O)Cc1[nH]c[nH+]c1C ZINC001174682250 820415398 /nfs/dbraw/zinc/41/53/98/820415398.db2.gz IFFOILJIUZCFEC-UHFFFAOYSA-N 2 2 295.387 -0.165 20 0 CBADLP C[C@H](O)C[NH2+]CCCNC(=O)CCc1c[nH+]cn1C ZINC001175002143 820420275 /nfs/dbraw/zinc/42/02/75/820420275.db2.gz CGHDSYYNPVCNHA-NSHDSACASA-N 2 2 268.361 -0.171 20 0 CBADLP COCC[NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+]1CCOCC1 ZINC001176675386 820456547 /nfs/dbraw/zinc/45/65/47/820456547.db2.gz IIEXLZQSTPIPMT-CQSZACIVSA-N 2 2 299.415 -0.161 20 0 CBADLP CNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001176829915 820458910 /nfs/dbraw/zinc/45/89/10/820458910.db2.gz UUPSABINOGBCQM-LBPRGKRZSA-N 2 2 295.387 -0.106 20 0 CBADLP C[N@H+](C1CN(C(=O)Cc2c[nH+]c[nH]2)C1)[C@H]1CCOC1 ZINC001176832714 820459731 /nfs/dbraw/zinc/45/97/31/820459731.db2.gz ZXRAOVAJMATLHL-NSHDSACASA-N 2 2 264.329 -0.116 20 0 CBADLP C[N@@H+](C1CN(C(=O)Cc2c[nH+]c[nH]2)C1)[C@H]1CCOC1 ZINC001176832714 820459734 /nfs/dbraw/zinc/45/97/34/820459734.db2.gz ZXRAOVAJMATLHL-NSHDSACASA-N 2 2 264.329 -0.116 20 0 CBADLP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)O1 ZINC001176836574 820459836 /nfs/dbraw/zinc/45/98/36/820459836.db2.gz KYPZPFKZWREGFX-WZRBSPASSA-N 2 2 282.344 -0.207 20 0 CBADLP C[NH+](C)CCCC(=O)N1CC[C@@H]2OCC[N@H+](CCO)[C@@H]2C1 ZINC001177087869 820492219 /nfs/dbraw/zinc/49/22/19/820492219.db2.gz HAWLVOGNYIJWAT-KGLIPLIRSA-N 2 2 299.415 -0.378 20 0 CBADLP C[NH+](C)CCCC(=O)N1CC[C@@H]2OCC[N@@H+](CCO)[C@@H]2C1 ZINC001177087869 820492225 /nfs/dbraw/zinc/49/22/25/820492225.db2.gz HAWLVOGNYIJWAT-KGLIPLIRSA-N 2 2 299.415 -0.378 20 0 CBADLP CC[N@@H+]1CCO[C@H]2CCN(C(=O)COCC[NH+](C)C)C[C@@H]21 ZINC001177138013 820493800 /nfs/dbraw/zinc/49/38/00/820493800.db2.gz HTWTWINPVHEFIN-KBPBESRZSA-N 2 2 299.415 -0.114 20 0 CBADLP CC[N@H+]1CCO[C@H]2CCN(C(=O)COCC[NH+](C)C)C[C@@H]21 ZINC001177138013 820493806 /nfs/dbraw/zinc/49/38/06/820493806.db2.gz HTWTWINPVHEFIN-KBPBESRZSA-N 2 2 299.415 -0.114 20 0 CBADLP C[C@H]([NH2+]CCCNC(=O)CCCn1cc[nH+]c1)C(N)=O ZINC001177351426 820506116 /nfs/dbraw/zinc/50/61/16/820506116.db2.gz AZHUFCZBEIGNLX-NSHDSACASA-N 2 2 281.360 -0.367 20 0 CBADLP CN(C)C(=O)C[NH2+]CCCNC(=O)CCCn1cc[nH+]c1 ZINC001177351585 820506287 /nfs/dbraw/zinc/50/62/87/820506287.db2.gz ITNMMJIGYCZTBP-UHFFFAOYSA-N 2 2 295.387 -0.153 20 0 CBADLP C[C@@H]([NH2+]CCCNC(=O)CCCn1cc[nH+]c1)C(N)=O ZINC001177351425 820506334 /nfs/dbraw/zinc/50/63/34/820506334.db2.gz AZHUFCZBEIGNLX-LLVKDONJSA-N 2 2 281.360 -0.367 20 0 CBADLP Cn1ncnc1C[NH2+]CCCNC(=O)Cn1cc[nH+]c1 ZINC001177400106 820510774 /nfs/dbraw/zinc/51/07/74/820510774.db2.gz CYQMRDOEVSNKCJ-UHFFFAOYSA-N 2 2 277.332 -0.692 20 0 CBADLP Cn1nccc1C[NH2+]CCCNC(=O)Cn1cc[nH+]c1 ZINC001177401624 820512228 /nfs/dbraw/zinc/51/22/28/820512228.db2.gz WWMTVVKROPOYGT-UHFFFAOYSA-N 2 2 276.344 -0.087 20 0 CBADLP O=C(Cn1cc[nH+]c1)NCCC[NH2+]Cc1cnon1 ZINC001177406350 820513052 /nfs/dbraw/zinc/51/30/52/820513052.db2.gz VVAVBAGKCWWMOR-UHFFFAOYSA-N 2 2 264.289 -0.438 20 0 CBADLP CCOC(=O)CN(CC[NH3+])C(=O)CCc1[nH]cc[nH+]1 ZINC001177998281 820552627 /nfs/dbraw/zinc/55/26/27/820552627.db2.gz OQNIVWZZDICAAM-UHFFFAOYSA-N 2 2 268.317 -0.307 20 0 CBADLP N=c1ncc(C[NH3+])cn1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001178121994 820565557 /nfs/dbraw/zinc/56/55/57/820565557.db2.gz OQSLHHCILFCIMH-SNVBAGLBSA-N 2 2 272.312 -0.079 20 0 CBADLP COCC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)[C@H]1C ZINC001178414863 820581074 /nfs/dbraw/zinc/58/10/74/820581074.db2.gz SDGXMWFEZJPNLN-RWMBFGLXSA-N 2 2 285.388 -0.458 20 0 CBADLP COCC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)[C@H]1C ZINC001178414863 820581079 /nfs/dbraw/zinc/58/10/79/820581079.db2.gz SDGXMWFEZJPNLN-RWMBFGLXSA-N 2 2 285.388 -0.458 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@H]1C ZINC001179783271 820640187 /nfs/dbraw/zinc/64/01/87/820640187.db2.gz GLTUMVNATRZRAT-DCAQKATOSA-N 2 2 293.371 -0.334 20 0 CBADLP C[C@H]1[C@@H]([NH2+]CCOCCO)CCN1C(=O)Cn1cc[nH+]c1 ZINC001180279667 820665250 /nfs/dbraw/zinc/66/52/50/820665250.db2.gz JRIBGIUEOZNTBZ-STQMWFEESA-N 2 2 296.371 -0.529 20 0 CBADLP C[NH+]1CCC[C@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@@H]21 ZINC001180760577 820718414 /nfs/dbraw/zinc/71/84/14/820718414.db2.gz WVFPZHXWJWQCIK-AVGNSLFASA-N 2 2 267.373 -0.130 20 0 CBADLP C[NH+]1CCC[C@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@@H]21 ZINC001180760577 820718418 /nfs/dbraw/zinc/71/84/18/820718418.db2.gz WVFPZHXWJWQCIK-AVGNSLFASA-N 2 2 267.373 -0.130 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N2C[C@H]3[C@H](C2)CCC[N@@H+]3C)C1 ZINC001180760577 820718425 /nfs/dbraw/zinc/71/84/25/820718425.db2.gz WVFPZHXWJWQCIK-AVGNSLFASA-N 2 2 267.373 -0.130 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N2C[C@H]3[C@H](C2)CCC[N@H+]3C)C1 ZINC001180760577 820718430 /nfs/dbraw/zinc/71/84/30/820718430.db2.gz WVFPZHXWJWQCIK-AVGNSLFASA-N 2 2 267.373 -0.130 20 0 CBADLP C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC001180758426 820718522 /nfs/dbraw/zinc/71/85/22/820718522.db2.gz JHTWBHHPZUGJIS-QJPTWQEYSA-N 2 2 255.362 -0.132 20 0 CBADLP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC001180758426 820718530 /nfs/dbraw/zinc/71/85/30/820718530.db2.gz JHTWBHHPZUGJIS-QJPTWQEYSA-N 2 2 255.362 -0.132 20 0 CBADLP C[C@@H]1C[NH+](C)[C@@H](C)CN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001180758426 820718532 /nfs/dbraw/zinc/71/85/32/820718532.db2.gz JHTWBHHPZUGJIS-QJPTWQEYSA-N 2 2 255.362 -0.132 20 0 CBADLP C[C@@H]1C[NH+](C)[C@@H](C)CN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001180758426 820718537 /nfs/dbraw/zinc/71/85/37/820718537.db2.gz JHTWBHHPZUGJIS-QJPTWQEYSA-N 2 2 255.362 -0.132 20 0 CBADLP C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001180758428 820718745 /nfs/dbraw/zinc/71/87/45/820718745.db2.gz JHTWBHHPZUGJIS-TUAOUCFPSA-N 2 2 255.362 -0.132 20 0 CBADLP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001180758428 820718750 /nfs/dbraw/zinc/71/87/50/820718750.db2.gz JHTWBHHPZUGJIS-TUAOUCFPSA-N 2 2 255.362 -0.132 20 0 CBADLP C[C@@H]1C[NH+](C)[C@@H](C)CN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001180758428 820718790 /nfs/dbraw/zinc/71/87/90/820718790.db2.gz JHTWBHHPZUGJIS-TUAOUCFPSA-N 2 2 255.362 -0.132 20 0 CBADLP C[C@@H]1C[NH+](C)[C@@H](C)CN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001180758428 820718793 /nfs/dbraw/zinc/71/87/93/820718793.db2.gz JHTWBHHPZUGJIS-TUAOUCFPSA-N 2 2 255.362 -0.132 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)n2c(=N)sc3c2CC[C@H]([NH3+])C3)C1 ZINC001180758688 820719008 /nfs/dbraw/zinc/71/90/08/820719008.db2.gz GVYJNUBBFDFNRC-WCBMZHEXSA-N 2 2 296.396 -0.184 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)n2c(=N)sc3c2CC[C@H]([NH3+])C3)C1 ZINC001180758688 820719018 /nfs/dbraw/zinc/71/90/18/820719018.db2.gz GVYJNUBBFDFNRC-WCBMZHEXSA-N 2 2 296.396 -0.184 20 0 CBADLP C[NH+]1CCC[C@@](C)(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001180763400 820723750 /nfs/dbraw/zinc/72/37/50/820723750.db2.gz WAUPNENUOMGCNG-WCQYABFASA-N 2 2 255.362 -0.083 20 0 CBADLP C[NH+]1CCC[C@@](C)(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001180763400 820723755 /nfs/dbraw/zinc/72/37/55/820723755.db2.gz WAUPNENUOMGCNG-WCQYABFASA-N 2 2 255.362 -0.083 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N[C@]2(C)CCC[N@H+](C)C2)C1 ZINC001180763400 820723761 /nfs/dbraw/zinc/72/37/61/820723761.db2.gz WAUPNENUOMGCNG-WCQYABFASA-N 2 2 255.362 -0.083 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N[C@]2(C)CCC[N@@H+](C)C2)C1 ZINC001180763400 820723766 /nfs/dbraw/zinc/72/37/66/820723766.db2.gz WAUPNENUOMGCNG-WCQYABFASA-N 2 2 255.362 -0.083 20 0 CBADLP C[NH+]1CCC[C@](C)(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001180763397 820723810 /nfs/dbraw/zinc/72/38/10/820723810.db2.gz WAUPNENUOMGCNG-AAEUAGOBSA-N 2 2 255.362 -0.083 20 0 CBADLP C[NH+]1CCC[C@](C)(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001180763397 820723816 /nfs/dbraw/zinc/72/38/16/820723816.db2.gz WAUPNENUOMGCNG-AAEUAGOBSA-N 2 2 255.362 -0.083 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N[C@@]2(C)CCC[N@H+](C)C2)C1 ZINC001180763397 820723821 /nfs/dbraw/zinc/72/38/21/820723821.db2.gz WAUPNENUOMGCNG-AAEUAGOBSA-N 2 2 255.362 -0.083 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N[C@@]2(C)CCC[N@@H+](C)C2)C1 ZINC001180763397 820723827 /nfs/dbraw/zinc/72/38/27/820723827.db2.gz WAUPNENUOMGCNG-AAEUAGOBSA-N 2 2 255.362 -0.083 20 0 CBADLP COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001182014884 820848554 /nfs/dbraw/zinc/84/85/54/820848554.db2.gz YIKCRHSUBBXXNA-OLZOCXBDSA-N 2 2 295.383 -0.356 20 0 CBADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001182014884 820848562 /nfs/dbraw/zinc/84/85/62/820848562.db2.gz YIKCRHSUBBXXNA-OLZOCXBDSA-N 2 2 295.383 -0.356 20 0 CBADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)C1([NH+](C)C)CC1 ZINC001182603123 820929312 /nfs/dbraw/zinc/92/93/12/820929312.db2.gz SLEQQCXEKVWCMY-LLVKDONJSA-N 2 2 294.355 -0.285 20 0 CBADLP CN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001183115887 820974939 /nfs/dbraw/zinc/97/49/39/820974939.db2.gz KHUWIULCEBVBGX-GFCCVEGCSA-N 2 2 293.371 -0.379 20 0 CBADLP CN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001183115887 820974944 /nfs/dbraw/zinc/97/49/44/820974944.db2.gz KHUWIULCEBVBGX-GFCCVEGCSA-N 2 2 293.371 -0.379 20 0 CBADLP CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001184709736 821082755 /nfs/dbraw/zinc/08/27/55/821082755.db2.gz GHOKIQLGUNPDPY-GFCCVEGCSA-N 2 2 293.371 -0.400 20 0 CBADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@H]1C[NH2+]CC(N)=O ZINC001185788125 821142263 /nfs/dbraw/zinc/14/22/63/821142263.db2.gz LPRGAXVIPOJTSI-NEPJUHHUSA-N 2 2 293.371 -0.557 20 0 CBADLP C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@H]1C[NH2+]CCO ZINC001185790120 821142514 /nfs/dbraw/zinc/14/25/14/821142514.db2.gz XVGLYZKGZFCVOU-STQMWFEESA-N 2 2 280.372 -0.050 20 0 CBADLP COCCOCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001185917676 821145340 /nfs/dbraw/zinc/14/53/40/821145340.db2.gz DHJNSOMTSMRPPY-GFCCVEGCSA-N 2 2 296.371 -0.194 20 0 CBADLP Cc1[nH]c2c([nH+]1)CCN(C(=O)C[N@@H+]1CC[C@@H](O)C1)CC2 ZINC001186035578 821150742 /nfs/dbraw/zinc/15/07/42/821150742.db2.gz LCWVKZYSFGSEPZ-LLVKDONJSA-N 2 2 278.356 -0.288 20 0 CBADLP Cc1[nH]c2c([nH+]1)CCN(C(=O)C[N@H+]1CC[C@@H](O)C1)CC2 ZINC001186035578 821150751 /nfs/dbraw/zinc/15/07/51/821150751.db2.gz LCWVKZYSFGSEPZ-LLVKDONJSA-N 2 2 278.356 -0.288 20 0 CBADLP CC(C)(C)[NH+]1CC(NC(=O)C[N@@H+]2CC[C@H](O)C2)C1 ZINC001186056435 821165491 /nfs/dbraw/zinc/16/54/91/821165491.db2.gz DAPSAHFKLUKNSS-NSHDSACASA-N 2 2 255.362 -0.348 20 0 CBADLP CC(C)(C)[NH+]1CC(NC(=O)C[N@H+]2CC[C@H](O)C2)C1 ZINC001186056435 821165495 /nfs/dbraw/zinc/16/54/95/821165495.db2.gz DAPSAHFKLUKNSS-NSHDSACASA-N 2 2 255.362 -0.348 20 0 CBADLP COC(=O)[C@H]1CC[N@H+](CC(=O)NCCn2cc[nH+]c2C)C1 ZINC001186116445 821172597 /nfs/dbraw/zinc/17/25/97/821172597.db2.gz YUAYEIBTCIIJIS-LBPRGKRZSA-N 2 2 294.355 -0.197 20 0 CBADLP COC(=O)[C@H]1CC[N@@H+](CC(=O)NCCn2cc[nH+]c2C)C1 ZINC001186116445 821172602 /nfs/dbraw/zinc/17/26/02/821172602.db2.gz YUAYEIBTCIIJIS-LBPRGKRZSA-N 2 2 294.355 -0.197 20 0 CBADLP COC(=O)[C@H]1CC[N@H+](CC(=O)NC2C[NH+](C(C)C)C2)C1 ZINC001186116114 821173633 /nfs/dbraw/zinc/17/36/33/821173633.db2.gz UFHTVZBMQCIPGY-NSHDSACASA-N 2 2 283.372 -0.310 20 0 CBADLP COC(=O)[C@H]1CC[N@@H+](CC(=O)NC2C[NH+](C(C)C)C2)C1 ZINC001186116114 821173637 /nfs/dbraw/zinc/17/36/37/821173637.db2.gz UFHTVZBMQCIPGY-NSHDSACASA-N 2 2 283.372 -0.310 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)N(CCO)CC[NH2+]Cc1cnon1 ZINC001279672532 828334349 /nfs/dbraw/zinc/33/43/49/828334349.db2.gz KIMZCONJRPERQN-GFCCVEGCSA-N 2 2 297.359 -0.926 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)N(CCO)CC[NH2+]Cc1cnon1 ZINC001279672532 828334359 /nfs/dbraw/zinc/33/43/59/828334359.db2.gz KIMZCONJRPERQN-GFCCVEGCSA-N 2 2 297.359 -0.926 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NCC1([NH2+]CCO)CCC1 ZINC001280521570 828358164 /nfs/dbraw/zinc/35/81/64/828358164.db2.gz RTXGCKINWKLBDR-UHFFFAOYSA-N 2 2 252.318 -0.427 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCO[C@@H](C[NH2+]CCO)C1 ZINC001280648400 828368863 /nfs/dbraw/zinc/36/88/63/828368863.db2.gz LUOAVZSULNLSSK-YPMHNXCESA-N 2 2 296.371 -0.602 20 0 CBADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCO[C@@H](C[NH2+]CCO)C1 ZINC001280648400 828368873 /nfs/dbraw/zinc/36/88/73/828368873.db2.gz LUOAVZSULNLSSK-YPMHNXCESA-N 2 2 296.371 -0.602 20 0 CBADLP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001187420593 822277697 /nfs/dbraw/zinc/27/76/97/822277697.db2.gz NYSVOWQGMUARQU-SNVBAGLBSA-N 2 2 279.344 -0.803 20 0 CBADLP O=C(CCCn1cc[nH+]c1)N1CC[C@@H]([NH2+]CCO)C1 ZINC001188346671 822329008 /nfs/dbraw/zinc/32/90/08/822329008.db2.gz VADOCPRIBMAXHT-GFCCVEGCSA-N 2 2 266.345 -0.154 20 0 CBADLP C[C@H]([NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1)C(=O)N(C)C ZINC001188369153 822333576 /nfs/dbraw/zinc/33/35/76/822333576.db2.gz UMPZUWYMQLAAKT-NWDGAFQWSA-N 2 2 293.371 -0.450 20 0 CBADLP C[C@@H]([NH2+][C@@H](C)CCNC(=O)Cn1cc[nH+]c1)C(N)=O ZINC001281767884 828424256 /nfs/dbraw/zinc/42/42/56/828424256.db2.gz FFYZVHAPBBUONQ-VHSXEESVSA-N 2 2 267.333 -0.759 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)[C@@H](C)[NH2+]CCO ZINC001282230229 828439201 /nfs/dbraw/zinc/43/92/01/828439201.db2.gz VDKGIRNUJGYIHX-RKDXNWHRSA-N 2 2 254.334 -0.264 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)C1C[NH+](CCO)C1 ZINC001282736620 828456364 /nfs/dbraw/zinc/45/63/64/828456364.db2.gz FJKMIEVQDQNKDU-SECBINFHSA-N 2 2 266.345 -0.311 20 0 CBADLP C[NH+](C)CCC(=O)NCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001283151709 828501247 /nfs/dbraw/zinc/50/12/47/828501247.db2.gz OCLUDCALUWGSAZ-UHFFFAOYSA-N 2 2 267.333 -0.864 20 0 CBADLP C[C@@H]1CC[N@H+](CC(=O)NCCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001283152298 828501281 /nfs/dbraw/zinc/50/12/81/828501281.db2.gz TXBWBSXCUISZFM-LLVKDONJSA-N 2 2 293.371 -0.474 20 0 CBADLP C[C@@H]1CC[N@@H+](CC(=O)NCCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001283152298 828501283 /nfs/dbraw/zinc/50/12/83/828501283.db2.gz TXBWBSXCUISZFM-LLVKDONJSA-N 2 2 293.371 -0.474 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NCCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001283276050 828511341 /nfs/dbraw/zinc/51/13/41/828511341.db2.gz OXUAGAVPYJDCJE-UHFFFAOYSA-N 2 2 295.387 -0.085 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NCCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001283276050 828511345 /nfs/dbraw/zinc/51/13/45/828511345.db2.gz OXUAGAVPYJDCJE-UHFFFAOYSA-N 2 2 295.387 -0.085 20 0 CBADLP O=C(NC[C@H](CO)[NH2+]CCCF)[C@@H]1CCn2c[nH+]cc2C1 ZINC001283772444 828546249 /nfs/dbraw/zinc/54/62/49/828546249.db2.gz XJHDLKOODHVNSO-VXGBXAGGSA-N 2 2 298.362 -0.128 20 0 CBADLP Cc1cn(C(C)(C)C(=O)NC[C@@H](CO)[NH2+]CCCO)c[nH+]1 ZINC001283770219 828546393 /nfs/dbraw/zinc/54/63/93/828546393.db2.gz AJPKWFFTKADYTQ-LBPRGKRZSA-N 2 2 298.387 -0.624 20 0 CBADLP CC(C)[NH2+][C@H](CO)CNC(=O)CCc1c[nH+]cn1C ZINC001283826353 828553541 /nfs/dbraw/zinc/55/35/41/828553541.db2.gz WJRGLUVLSTWNLQ-NSHDSACASA-N 2 2 268.361 -0.172 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CC[C@@H](C[NH2+]CCO)C1 ZINC001284224464 828576400 /nfs/dbraw/zinc/57/64/00/828576400.db2.gz IZQKQFWRZFSJSD-GHMZBOCLSA-N 2 2 266.345 -0.181 20 0 CBADLP CNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001190949489 823862125 /nfs/dbraw/zinc/86/21/25/823862125.db2.gz ZWUPVVMWUOMNJH-CHWSQXEVSA-N 2 2 296.415 -0.251 20 0 CBADLP CNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001190949489 823862129 /nfs/dbraw/zinc/86/21/29/823862129.db2.gz ZWUPVVMWUOMNJH-CHWSQXEVSA-N 2 2 296.415 -0.251 20 0 CBADLP CNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001190949489 823862132 /nfs/dbraw/zinc/86/21/32/823862132.db2.gz ZWUPVVMWUOMNJH-CHWSQXEVSA-N 2 2 296.415 -0.251 20 0 CBADLP CNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001190949489 823862134 /nfs/dbraw/zinc/86/21/34/823862134.db2.gz ZWUPVVMWUOMNJH-CHWSQXEVSA-N 2 2 296.415 -0.251 20 0 CBADLP CNC(=O)[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001192551843 823974858 /nfs/dbraw/zinc/97/48/58/823974858.db2.gz UIUWZISPEMXDEI-JQWIXIFHSA-N 2 2 293.371 -0.381 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001192551843 823974864 /nfs/dbraw/zinc/97/48/64/823974864.db2.gz UIUWZISPEMXDEI-JQWIXIFHSA-N 2 2 293.371 -0.381 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001192551846 823974906 /nfs/dbraw/zinc/97/49/06/823974906.db2.gz UIUWZISPEMXDEI-ZYHUDNBSSA-N 2 2 293.371 -0.381 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001192551846 823974914 /nfs/dbraw/zinc/97/49/14/823974914.db2.gz UIUWZISPEMXDEI-ZYHUDNBSSA-N 2 2 293.371 -0.381 20 0 CBADLP CN(C[C@@H](O)C[NH2+]CCF)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001284428143 828595127 /nfs/dbraw/zinc/59/51/27/828595127.db2.gz DQDRNLSDLKXWMX-YPMHNXCESA-N 2 2 298.362 -0.176 20 0 CBADLP C[C@@H](CC(=O)N[C@@H]1C[N@H+](CCCO)C[C@H]1O)n1cc[nH+]c1 ZINC001196498642 824161088 /nfs/dbraw/zinc/16/10/88/824161088.db2.gz FVDPUFJESRPFMO-YNEHKIRRSA-N 2 2 296.371 -0.622 20 0 CBADLP C[C@@H](CC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O)n1cc[nH+]c1 ZINC001196498642 824161089 /nfs/dbraw/zinc/16/10/89/824161089.db2.gz FVDPUFJESRPFMO-YNEHKIRRSA-N 2 2 296.371 -0.622 20 0 CBADLP CC[NH+](CC)CC(=O)N1CCC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC001197491536 824193123 /nfs/dbraw/zinc/19/31/23/824193123.db2.gz FIISBUAUEMQOLR-CYBMUJFWSA-N 2 2 296.415 -0.249 20 0 CBADLP CCC[N@@H+](C)CC(=O)N1CCC[NH+]([C@H]2CCNC2=O)CC1 ZINC001197914516 824208482 /nfs/dbraw/zinc/20/84/82/824208482.db2.gz UASCTLASADJUED-ZDUSSCGKSA-N 2 2 296.415 -0.249 20 0 CBADLP CCC[NH+](C)CC(=O)N1CCC[N@@H+]([C@H]2CCNC2=O)CC1 ZINC001197914516 824208491 /nfs/dbraw/zinc/20/84/91/824208491.db2.gz UASCTLASADJUED-ZDUSSCGKSA-N 2 2 296.415 -0.249 20 0 CBADLP CCC[NH+](C)CC(=O)N1CCC[N@H+]([C@H]2CCNC2=O)CC1 ZINC001197914516 824208499 /nfs/dbraw/zinc/20/84/99/824208499.db2.gz UASCTLASADJUED-ZDUSSCGKSA-N 2 2 296.415 -0.249 20 0 CBADLP COCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001199406705 824268008 /nfs/dbraw/zinc/26/80/08/824268008.db2.gz XAFRIQIGQGVWBN-VXGBXAGGSA-N 2 2 282.344 -0.919 20 0 CBADLP COCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001199406705 824268016 /nfs/dbraw/zinc/26/80/16/824268016.db2.gz XAFRIQIGQGVWBN-VXGBXAGGSA-N 2 2 282.344 -0.919 20 0 CBADLP COCC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCCO1 ZINC001202216317 824342814 /nfs/dbraw/zinc/34/28/14/824342814.db2.gz CBOGYPRJQFIYKG-CYBMUJFWSA-N 2 2 296.371 -0.263 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CCCO[C@H](C[NH2+]CCCO)C1 ZINC001202216503 824342933 /nfs/dbraw/zinc/34/29/33/824342933.db2.gz FRRHWIVXVNECIJ-CYBMUJFWSA-N 2 2 296.371 -0.527 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CC=C(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001284994415 828638952 /nfs/dbraw/zinc/63/89/52/828638952.db2.gz RACJPKVTDVAKJQ-NSHDSACASA-N 2 2 291.355 -0.495 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CC=C(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001284994415 828638954 /nfs/dbraw/zinc/63/89/54/828638954.db2.gz RACJPKVTDVAKJQ-NSHDSACASA-N 2 2 291.355 -0.495 20 0 CBADLP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1cn(C)c(=O)n(C)c1=O ZINC001205191024 824375675 /nfs/dbraw/zinc/37/56/75/824375675.db2.gz UONBRXPPARSKMZ-PSASIEDQSA-N 2 2 252.318 -0.995 20 0 CBADLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1cn(C)c(=O)n(C)c1=O ZINC001205191024 824375676 /nfs/dbraw/zinc/37/56/76/824375676.db2.gz UONBRXPPARSKMZ-PSASIEDQSA-N 2 2 252.318 -0.995 20 0 CBADLP COC(=O)c1cnc(C[N@@H+]2CCCC[C@@](O)(C[NH3+])C2)cn1 ZINC001205683128 824380343 /nfs/dbraw/zinc/38/03/43/824380343.db2.gz YBLHRKGITHDXNG-CQSZACIVSA-N 2 2 294.355 -0.061 20 0 CBADLP COC(=O)c1cnc(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)cn1 ZINC001205683128 824380350 /nfs/dbraw/zinc/38/03/50/824380350.db2.gz YBLHRKGITHDXNG-CQSZACIVSA-N 2 2 294.355 -0.061 20 0 CBADLP [NH3+]C[C@@]1(O)CCCC[N@H+](Cc2ccc(=O)[nH]n2)C1 ZINC001205689713 824381224 /nfs/dbraw/zinc/38/12/24/824381224.db2.gz QSJWWXQLHNALKK-LBPRGKRZSA-N 2 2 252.318 -0.142 20 0 CBADLP [NH3+]C[C@@]1(O)CCCC[N@@H+](Cc2ccc(=O)[nH]n2)C1 ZINC001205689713 824381226 /nfs/dbraw/zinc/38/12/26/824381226.db2.gz QSJWWXQLHNALKK-LBPRGKRZSA-N 2 2 252.318 -0.142 20 0 CBADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC001205829920 824387528 /nfs/dbraw/zinc/38/75/28/824387528.db2.gz QDBQCNWXNMLQHU-ZYHUDNBSSA-N 2 2 280.372 -0.357 20 0 CBADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC001205829920 824387529 /nfs/dbraw/zinc/38/75/29/824387529.db2.gz QDBQCNWXNMLQHU-ZYHUDNBSSA-N 2 2 280.372 -0.357 20 0 CBADLP NC(=O)C[NH2+]CC1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001205804921 824387545 /nfs/dbraw/zinc/38/75/45/824387545.db2.gz JEENEFRYYQEYGO-UHFFFAOYSA-N 2 2 293.371 -0.413 20 0 CBADLP [NH3+]C[C@H]1C[N@H+](Cc2cnc(N3CCOCC3)s2)C[C@H]1O ZINC001206470310 824400375 /nfs/dbraw/zinc/40/03/75/824400375.db2.gz WKBHEWRFKSYPPP-CMPLNLGQSA-N 2 2 298.412 -0.269 20 0 CBADLP [NH3+]C[C@H]1C[N@@H+](Cc2cnc(N3CCOCC3)s2)C[C@H]1O ZINC001206470310 824400381 /nfs/dbraw/zinc/40/03/81/824400381.db2.gz WKBHEWRFKSYPPP-CMPLNLGQSA-N 2 2 298.412 -0.269 20 0 CBADLP CS(=O)(=O)Nc1ccccc1C[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001206480606 824401046 /nfs/dbraw/zinc/40/10/46/824401046.db2.gz FDNWPQBFACDQPQ-WCQYABFASA-N 2 2 299.396 -0.191 20 0 CBADLP CS(=O)(=O)Nc1ccccc1C[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001206480606 824401048 /nfs/dbraw/zinc/40/10/48/824401048.db2.gz FDNWPQBFACDQPQ-WCQYABFASA-N 2 2 299.396 -0.191 20 0 CBADLP COC(=O)c1cc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cn1C ZINC001206518688 824402117 /nfs/dbraw/zinc/40/21/17/824402117.db2.gz DXDIYPFYZYMLFE-JQWIXIFHSA-N 2 2 267.329 -0.437 20 0 CBADLP COC(=O)c1cc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cn1C ZINC001206518688 824402119 /nfs/dbraw/zinc/40/21/19/824402119.db2.gz DXDIYPFYZYMLFE-JQWIXIFHSA-N 2 2 267.329 -0.437 20 0 CBADLP COCc1cccc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)n1 ZINC001206530909 824402689 /nfs/dbraw/zinc/40/26/89/824402689.db2.gz VVTRVQNIVALOEP-GWCFXTLKSA-N 2 2 251.330 -0.021 20 0 CBADLP COCc1cccc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)n1 ZINC001206530909 824402697 /nfs/dbraw/zinc/40/26/97/824402697.db2.gz VVTRVQNIVALOEP-GWCFXTLKSA-N 2 2 251.330 -0.021 20 0 CBADLP CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001206586191 824403555 /nfs/dbraw/zinc/40/35/55/824403555.db2.gz QVRNOAVBLUTBDN-UPJWGTAASA-N 2 2 296.415 -0.347 20 0 CBADLP CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001206586191 824403557 /nfs/dbraw/zinc/40/35/57/824403557.db2.gz QVRNOAVBLUTBDN-UPJWGTAASA-N 2 2 296.415 -0.347 20 0 CBADLP CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001206586191 824403558 /nfs/dbraw/zinc/40/35/58/824403558.db2.gz QVRNOAVBLUTBDN-UPJWGTAASA-N 2 2 296.415 -0.347 20 0 CBADLP CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001206586191 824403560 /nfs/dbraw/zinc/40/35/60/824403560.db2.gz QVRNOAVBLUTBDN-UPJWGTAASA-N 2 2 296.415 -0.347 20 0 CBADLP CNC(=O)C[NH2+][C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001207923704 824441284 /nfs/dbraw/zinc/44/12/84/824441284.db2.gz AGUCLFSGBIHJNH-NSHDSACASA-N 2 2 293.371 -0.331 20 0 CBADLP CNC(=O)C[NH2+][C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001208299028 824449574 /nfs/dbraw/zinc/44/95/74/824449574.db2.gz HPWSDJDYWZARTL-LBPRGKRZSA-N 2 2 293.371 -0.331 20 0 CBADLP CNC(=O)C[NH2+][C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001208299028 824449575 /nfs/dbraw/zinc/44/95/75/824449575.db2.gz HPWSDJDYWZARTL-LBPRGKRZSA-N 2 2 293.371 -0.331 20 0 CBADLP C[N@H+](C1CN(CC[NH+]2CCOCC2)C1)[C@@H]1CCOC1 ZINC001209294817 824467454 /nfs/dbraw/zinc/46/74/54/824467454.db2.gz IGMXRSQEUNLUAW-CYBMUJFWSA-N 2 2 269.389 -0.277 20 0 CBADLP C[N@@H+](C1CN(CC[NH+]2CCOCC2)C1)[C@@H]1CCOC1 ZINC001209294817 824467458 /nfs/dbraw/zinc/46/74/58/824467458.db2.gz IGMXRSQEUNLUAW-CYBMUJFWSA-N 2 2 269.389 -0.277 20 0 CBADLP CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001209835751 824476364 /nfs/dbraw/zinc/47/63/64/824476364.db2.gz DTNGTCGARUVLAR-NSHDSACASA-N 2 2 293.371 -0.331 20 0 CBADLP Nc1ncnc2nn(-c3cc[nH+]c(N4CC[NH2+]CC4)c3)nc21 ZINC001210262030 824478052 /nfs/dbraw/zinc/47/80/52/824478052.db2.gz OACFTKZMUGLKOV-UHFFFAOYSA-N 2 2 297.326 -0.621 20 0 CBADLP CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001212198804 824504504 /nfs/dbraw/zinc/50/45/04/824504504.db2.gz MXKHQDGQIIKKIC-GHMZBOCLSA-N 2 2 282.344 -0.850 20 0 CBADLP CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001212198804 824504498 /nfs/dbraw/zinc/50/44/98/824504498.db2.gz MXKHQDGQIIKKIC-GHMZBOCLSA-N 2 2 282.344 -0.850 20 0 CBADLP CNC(=O)C[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001214531262 824532664 /nfs/dbraw/zinc/53/26/64/824532664.db2.gz VCNKDRYFGPBNQJ-GHMZBOCLSA-N 2 2 293.371 -0.475 20 0 CBADLP COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001215680523 824543536 /nfs/dbraw/zinc/54/35/36/824543536.db2.gz AAVFTTWEJDVLEW-RAIGVLPGSA-N 2 2 296.371 -0.604 20 0 CBADLP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001216061561 824544812 /nfs/dbraw/zinc/54/48/12/824544812.db2.gz KOOIGLMBDPCOID-GHMZBOCLSA-N 2 2 293.371 -0.475 20 0 CBADLP COCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001217004782 824550595 /nfs/dbraw/zinc/55/05/95/824550595.db2.gz BGVLARSFSUOMJE-VXGBXAGGSA-N 2 2 266.345 -0.034 20 0 CBADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]CCOCCO ZINC001217005664 824551049 /nfs/dbraw/zinc/55/10/49/824551049.db2.gz MYWRAIYXUDHLFU-CHWSQXEVSA-N 2 2 296.371 -0.672 20 0 CBADLP C[C@H]1C[NH+](CCc2nnc(C[C@@H]([NH3+])C(N)=O)o2)C[C@H](C)O1 ZINC001217743537 824560833 /nfs/dbraw/zinc/56/08/33/824560833.db2.gz VAUDERCKFUBIQC-LPEHRKFASA-N 2 2 297.359 -0.924 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](OC[C@H]2C[C@@H]3CC[NH2+]C[C@@H]3O2)C[NH2+]1 ZINC001217823193 824561871 /nfs/dbraw/zinc/56/18/71/824561871.db2.gz NJIGLQLEUSPCKP-QWQWKMKNSA-N 2 2 284.356 -0.327 20 0 CBADLP O=C(Nc1cccc2[nH+]ccn21)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001218498214 824571173 /nfs/dbraw/zinc/57/11/73/824571173.db2.gz DFMPXNMWONNUDK-SNVBAGLBSA-N 2 2 287.323 -0.397 20 0 CBADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1nnc(-c2ccco2)o1 ZINC001218525890 824582191 /nfs/dbraw/zinc/58/21/91/824582191.db2.gz JIOVOTVFLUMDKS-LURJTMIESA-N 2 2 251.246 -0.056 20 0 CBADLP COc1cc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)ncn1 ZINC001218536563 824586773 /nfs/dbraw/zinc/58/67/73/824586773.db2.gz WKQLQPOVFACFRU-QMMMGPOBSA-N 2 2 262.273 -0.283 20 0 CBADLP Cc1ccc2c(n[nH]c2NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)n1 ZINC001218542128 824587475 /nfs/dbraw/zinc/58/74/75/824587475.db2.gz LTXTUTJTBZLQKY-APPZFPTMSA-N 2 2 260.301 -0.106 20 0 CBADLP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1ncccc1O ZINC001218539598 824587624 /nfs/dbraw/zinc/58/76/24/824587624.db2.gz MFGYCZKZPCHEBP-JTQLQIEISA-N 2 2 279.344 -0.524 20 0 CBADLP Cn1ncc2c1ncnc2NC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001218557219 824590171 /nfs/dbraw/zinc/59/01/71/824590171.db2.gz JXTCMRROFGFFJK-UHFFFAOYSA-N 2 2 275.316 -0.617 20 0 CBADLP C[NH+]1CCN(c2ncccc2NC(=O)[C@@H]([NH3+])CC[NH3+])CC1 ZINC001218556516 824590356 /nfs/dbraw/zinc/59/03/56/824590356.db2.gz SROVKESMTCNGQV-NSHDSACASA-N 3 2 292.387 -0.552 20 0 CBADLP Cc1nc(NC(=O)[C@H](N)C[NH+]2CCC([NH3+])CC2)cc(=O)[nH]1 ZINC001218565367 824593584 /nfs/dbraw/zinc/59/35/84/824593584.db2.gz VNBAZRAUJDWRTE-SNVBAGLBSA-N 2 2 294.359 -0.820 20 0 CBADLP O=C(Nc1n[nH]c2nccnc12)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218569042 824595041 /nfs/dbraw/zinc/59/50/41/824595041.db2.gz REWLOJTYMBQAKY-SSDOTTSWSA-N 2 2 273.300 -0.948 20 0 CBADLP COc1cc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)no1 ZINC001218573449 824596491 /nfs/dbraw/zinc/59/64/91/824596491.db2.gz FWLPCELQBQVCPW-QMMMGPOBSA-N 2 2 265.273 -0.075 20 0 CBADLP O=C(C[NH2+]C1CC[NH2+]CC1)Nc1noc2nccnc12 ZINC001218574549 824597547 /nfs/dbraw/zinc/59/75/47/824597547.db2.gz VEIAQADKQJLRSM-UHFFFAOYSA-N 2 2 276.300 -0.102 20 0 CBADLP COC(=O)c1cncc(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)n1 ZINC001218580714 824598875 /nfs/dbraw/zinc/59/88/75/824598875.db2.gz WDJOULOWESFWLC-RBDZCENOSA-N 2 2 291.311 -0.577 20 0 CBADLP COc1ncc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)cn1 ZINC001218590110 824600826 /nfs/dbraw/zinc/60/08/26/824600826.db2.gz JSTGOIMCPSISJK-JTQLQIEISA-N 2 2 276.300 -0.273 20 0 CBADLP COC(=O)Cn1cc(NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)cn1 ZINC001218610399 824603609 /nfs/dbraw/zinc/60/36/09/824603609.db2.gz NYMMGENQPVPMEM-SNVBAGLBSA-N 2 2 292.299 -0.712 20 0 CBADLP [NH3+]CC(=O)N1CCC[C@H]1C(=O)Nc1cc[nH+]c2c1CCC2 ZINC001218622270 824606315 /nfs/dbraw/zinc/60/63/15/824606315.db2.gz YQAYVCMVKMBLEY-ZDUSSCGKSA-N 2 2 288.351 -0.120 20 0 CBADLP CN(C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2)c1nccnc1N ZINC001218623324 824607122 /nfs/dbraw/zinc/60/71/22/824607122.db2.gz ICEQUCXLRMHWNL-RWYTXXIDSA-N 2 2 262.317 -0.757 20 0 CBADLP CN(C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)c1nccnc1N ZINC001218623291 824607199 /nfs/dbraw/zinc/60/71/99/824607199.db2.gz GLNKEKXNCPTOSU-QMMMGPOBSA-N 2 2 261.289 -0.685 20 0 CBADLP Nc1cnc(NC(=O)C[NH2+]C2CC[NH2+]CC2)cn1 ZINC001218624005 824607472 /nfs/dbraw/zinc/60/74/72/824607472.db2.gz VIXVAYDISKDDFR-UHFFFAOYSA-N 2 2 250.306 -0.661 20 0 CBADLP COC(=O)c1cc(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)cn1C ZINC001218631755 824609416 /nfs/dbraw/zinc/60/94/16/824609416.db2.gz LJGBSWZHNLGFSB-RULNRJAQSA-N 2 2 292.339 -0.028 20 0 CBADLP Cc1nc(Cl)c(N)c(=N)n1C(=O)C1([NH3+])CC[NH2+]CC1 ZINC001218641647 824612603 /nfs/dbraw/zinc/61/26/03/824612603.db2.gz HFJRTAOYTKGVPQ-UHFFFAOYSA-N 2 2 284.751 -0.372 20 0 CBADLP Nc1ncc(Cl)nc1NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001218652964 824616627 /nfs/dbraw/zinc/61/66/27/824616627.db2.gz SQZSNTXAVHQFDD-UHNVWZDZSA-N 2 2 256.697 -0.660 20 0 CBADLP Nc1ncc(Cl)nc1NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001218653247 824617041 /nfs/dbraw/zinc/61/70/41/824617041.db2.gz VUWMUVXFUSOJJF-ZCFIWIBFSA-N 2 2 281.707 -0.056 20 0 CBADLP CCOc1cc(N)n(C(=O)C2([NH3+])CC[NH2+]CC2)c(=N)n1 ZINC001218681145 824620610 /nfs/dbraw/zinc/62/06/10/824620610.db2.gz QBQYTTBGNKHRJJ-UHFFFAOYSA-N 2 2 280.332 -0.935 20 0 CBADLP CC(=O)c1nn(C)cc1NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001218706967 824626481 /nfs/dbraw/zinc/62/64/81/824626481.db2.gz DJZMBKAFEGFMAR-SFYZADRCSA-N 2 2 251.290 -0.750 20 0 CBADLP [NH3+]Cc1cncc(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)c1 ZINC001218705637 824626175 /nfs/dbraw/zinc/62/61/75/824626175.db2.gz XAEICRYHNAVBJG-WZRBSPASSA-N 3 2 261.329 -0.299 20 0 CBADLP CN=c1c(N)cc(Cl)nn1C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001218742363 824631976 /nfs/dbraw/zinc/63/19/76/824631976.db2.gz DNPWAKLXCWNTHR-RWYTXXIDSA-N 2 2 296.762 -0.489 20 0 CBADLP CCOC(=O)c1ncc(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)cn1 ZINC001218757256 824634577 /nfs/dbraw/zinc/63/45/77/824634577.db2.gz QCNPCZVTJMSWQF-APPZFPTMSA-N 2 2 279.300 -0.719 20 0 CBADLP CNC(=O)c1cccnc1NC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001218764815 824635579 /nfs/dbraw/zinc/63/55/79/824635579.db2.gz PKLNCYLONAUHJA-UHFFFAOYSA-N 2 2 277.328 -0.539 20 0 CBADLP CCOC(=O)c1nc(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)c[nH]1 ZINC001218763917 824636433 /nfs/dbraw/zinc/63/64/33/824636433.db2.gz HJEPNDQBDKYNEA-RBDZCENOSA-N 2 2 293.327 -0.253 20 0 CBADLP COc1nc(NC(=O)[C@@H]([NH3+])CC[NH3+])c(C)c(OC)n1 ZINC001218768846 824637718 /nfs/dbraw/zinc/63/77/18/824637718.db2.gz ZQKQLSFBYDLVII-ZETCQYMHSA-N 2 2 269.305 -0.583 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2nc3n[nH]cc3c(Cl)n2)C1 ZINC001218799301 824640409 /nfs/dbraw/zinc/64/04/09/824640409.db2.gz JEPBUNQPFVGILL-XINAWCOVSA-N 2 2 281.707 -0.366 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1nc2n[nH]cc2c(Cl)n1 ZINC001218799494 824640832 /nfs/dbraw/zinc/64/08/32/824640832.db2.gz RJHDNJMDMSCLNI-NJGYIYPDSA-N 2 2 281.707 -0.509 20 0 CBADLP [NH3+]C1(C(=O)Nc2ccccc2-c2nn[nH]n2)CC[NH2+]CC1 ZINC001218856029 824642739 /nfs/dbraw/zinc/64/27/39/824642739.db2.gz OODVEOYFLUELIO-UHFFFAOYSA-N 2 2 287.327 -0.114 20 0 CBADLP Nc1cccc(NC(=O)[C@@H](N)C[NH+]2CCC([NH3+])CC2)c1 ZINC001218826048 824643465 /nfs/dbraw/zinc/64/34/65/824643465.db2.gz ZZHJCUXIPQRMLL-ZDUSSCGKSA-N 2 2 277.372 -0.042 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2ccccc2-c2nn[nH]n2)C1 ZINC001218856050 824643499 /nfs/dbraw/zinc/64/34/99/824643499.db2.gz PDUJOJWIZZAOHL-XCBNKYQSSA-N 2 2 273.300 -0.506 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2ccc3[nH][nH]c(=O)c3c2)C1 ZINC001218878441 824645922 /nfs/dbraw/zinc/64/59/22/824645922.db2.gz DPAVSFNZLOCPII-LDWIPMOCSA-N 2 2 261.285 -0.104 20 0 CBADLP CN1c2ccc(NC(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)cc2CC1=O ZINC001219020882 824652853 /nfs/dbraw/zinc/65/28/53/824652853.db2.gz QKUFMBLOQHFWCD-KOLCDFICSA-N 2 2 274.324 -0.167 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2cccc(N3CC[NH2+]CC3)c2)C1 ZINC001219119471 824664508 /nfs/dbraw/zinc/66/45/08/824664508.db2.gz ZIJYXAXXXRUYFM-RISCZKNCSA-N 3 2 289.383 -0.276 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cccc(N2CC[NH2+]CC2)c1 ZINC001219118633 824665428 /nfs/dbraw/zinc/66/54/28/824665428.db2.gz OVNRGTRYCXPEJM-KBPBESRZSA-N 3 2 289.383 -0.419 20 0 CBADLP COc1ccc(N)c(NC(=O)[C@@H]2C[C@H]([NH3+])C[NH2+]2)c1 ZINC001219141778 824668133 /nfs/dbraw/zinc/66/81/33/824668133.db2.gz BSAKGGWXTYGHDM-CPCISQLKSA-N 2 2 250.302 -0.095 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cccc2c1NC(=O)NC2 ZINC001219335228 824692466 /nfs/dbraw/zinc/69/24/66/824692466.db2.gz VNCYLJYIVAKGKF-IUCAKERBSA-N 2 2 275.312 -0.193 20 0 CBADLP [NH3+]Cc1ccc(NC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)cc1 ZINC001219343441 824694825 /nfs/dbraw/zinc/69/48/25/824694825.db2.gz BGFXHTQIEPSGNB-VIFPVBQESA-N 2 2 261.289 -0.833 20 0 CBADLP CN1CCc2cc(NC(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])ccc2C1=O ZINC001219369996 824700700 /nfs/dbraw/zinc/70/07/00/824700700.db2.gz YSQYYBKTRODNSM-STQMWFEESA-N 2 2 288.351 -0.200 20 0 CBADLP Nc1cccc2c1CS(=O)(=O)N2C(=O)[C@H]([NH3+])CCC[NH3+] ZINC001219414686 824705557 /nfs/dbraw/zinc/70/55/57/824705557.db2.gz HNDNRCVKCPDGTD-SNVBAGLBSA-N 2 2 298.368 -0.489 20 0 CBADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1ccc2[nH]c(=O)cnc2c1 ZINC001219437587 824708528 /nfs/dbraw/zinc/70/85/28/824708528.db2.gz BSCBGOWDMIETLD-QMMMGPOBSA-N 2 2 261.285 -0.462 20 0 CBADLP [NH3+]C1(C(=O)Nc2ccc3[nH]c(=O)cnc3c2)CC[NH2+]CC1 ZINC001219437621 824708882 /nfs/dbraw/zinc/70/88/82/824708882.db2.gz CJHHQSAIUBRNFH-UHFFFAOYSA-N 2 2 287.323 -0.058 20 0 CBADLP NC(=O)c1cc(O)cc(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)c1 ZINC001219441563 824710314 /nfs/dbraw/zinc/71/03/14/824710314.db2.gz IYKZLOLWGCTDRT-GYSYKLTISA-N 2 2 290.323 -0.349 20 0 CBADLP NC(=O)c1cc(O)cc(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)c1 ZINC001219442022 824710366 /nfs/dbraw/zinc/71/03/66/824710366.db2.gz ZSGCUMHEADFXLC-XCBNKYQSSA-N 2 2 264.285 -0.881 20 0 CBADLP C[NH+](C)CCNC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001219553776 824726728 /nfs/dbraw/zinc/72/67/28/824726728.db2.gz LKAHQSWUXVWKKL-LBPRGKRZSA-N 3 2 250.346 -0.064 20 0 CBADLP O=C(NCc1ccc2c(c1)OCO2)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001219551620 824727820 /nfs/dbraw/zinc/72/78/20/824727820.db2.gz DTUKGTJUYGIHLU-IAQYHMDHSA-N 2 2 289.335 -0.017 20 0 CBADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)NCC(F)F ZINC001219561338 824731143 /nfs/dbraw/zinc/73/11/43/824731143.db2.gz GGEPRQJQTYLFHW-QMMMGPOBSA-N 2 2 250.293 -0.882 20 0 CBADLP O=C(NCCN1CCCCC1=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001219567335 824732374 /nfs/dbraw/zinc/73/23/74/824732374.db2.gz GQAWWVSZVJIMLF-BXUZGUMPSA-N 2 2 280.372 -0.933 20 0 CBADLP COC(=O)[C@H]1C[C@@H](C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)CC[NH2+]1 ZINC001219584770 824735626 /nfs/dbraw/zinc/73/56/26/824735626.db2.gz FPWALZHIEQAFHN-FIQHERPVSA-N 2 2 283.372 -0.216 20 0 CBADLP COC(=O)[C@@H]1C[C@H](C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)CC[NH2+]1 ZINC001219584771 824736715 /nfs/dbraw/zinc/73/67/15/824736715.db2.gz FPWALZHIEQAFHN-USZNOCQGSA-N 2 2 283.372 -0.216 20 0 CBADLP Cc1cnc(CCNC(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)nc1 ZINC001219600700 824741649 /nfs/dbraw/zinc/74/16/49/824741649.db2.gz CZJIEVWOFQLWAI-SMDDNHRTSA-N 2 2 275.356 -0.605 20 0 CBADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H](O)c1ccco1 ZINC001219603606 824741880 /nfs/dbraw/zinc/74/18/80/824741880.db2.gz ALJZJCXWFXOEHV-VHSXEESVSA-N 2 2 264.285 -0.278 20 0 CBADLP Cc1cc(CNC(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)no1 ZINC001219604193 824851077 /nfs/dbraw/zinc/85/10/77/824851077.db2.gz KJBMAQFHUUTTRN-CABZTGNLSA-N 2 2 250.302 -0.449 20 0 CBADLP Cc1nocc1CNC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001219608028 824852231 /nfs/dbraw/zinc/85/22/31/824852231.db2.gz MHPUVXSDOIBWBP-ZYHUDNBSSA-N 2 2 250.302 -0.449 20 0 CBADLP COC(=O)[C@@H]([NH3+])CC(=O)N[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219610435 824854898 /nfs/dbraw/zinc/85/48/98/824854898.db2.gz NWNIJBRIFPNYTL-IMTBSYHQSA-N 2 2 283.250 -0.713 20 0 CBADLP C[C@]1(C(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)CC(F)(F)C[NH2+]1 ZINC001219618222 824859636 /nfs/dbraw/zinc/85/96/36/824859636.db2.gz ZJQMDTZFUTUPEL-JMJZKYOTSA-N 2 2 295.305 -0.448 20 0 CBADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCN1CCCCO1 ZINC001219632897 824865353 /nfs/dbraw/zinc/86/53/53/824865353.db2.gz SUIIXHJAMNKVEY-NSHDSACASA-N 2 2 267.333 -0.577 20 0 CBADLP O=C(NCCN1CCCCO1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001219632364 824865894 /nfs/dbraw/zinc/86/58/94/824865894.db2.gz LJFOTLJEQXVTGJ-WCQYABFASA-N 2 2 268.361 -0.919 20 0 CBADLP Cn1c[nH+]c(CCNC(=O)[C@]2(N)CCC[NH2+]C2)c1 ZINC001219633675 824867501 /nfs/dbraw/zinc/86/75/01/824867501.db2.gz BKIVPXXDXAUBBH-LBPRGKRZSA-N 2 2 251.334 -0.840 20 0 CBADLP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)C1 ZINC001219638896 824867906 /nfs/dbraw/zinc/86/79/06/824867906.db2.gz RIPOGFZQGXMQEV-UMNHJUIQSA-N 3 2 265.361 -0.359 20 0 CBADLP C[C@H]1OCC[C@H]1CNC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001219634536 824868547 /nfs/dbraw/zinc/86/85/47/824868547.db2.gz ZIIBQVRPJYRWDL-MPPDQPJWSA-N 2 2 253.346 -0.521 20 0 CBADLP C[C@H]1OCC[C@H]1CNC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001219634537 824868572 /nfs/dbraw/zinc/86/85/72/824868572.db2.gz ZIIBQVRPJYRWDL-XZUYRWCXSA-N 2 2 253.346 -0.521 20 0 CBADLP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)C1 ZINC001219642040 824869474 /nfs/dbraw/zinc/86/94/74/824869474.db2.gz OKUYFGHHKFTTLZ-PJSNJIKXSA-N 3 2 266.389 -0.702 20 0 CBADLP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)C1 ZINC001219640872 824869714 /nfs/dbraw/zinc/86/97/14/824869714.db2.gz CMIUTWXUVXLVAZ-LOWVWBTDSA-N 3 2 279.388 -0.348 20 0 CBADLP C[C@@H]1C[NH2+]C[C@H](CNC(=O)c2n[nH]c3c2C[NH2+]C3)C1 ZINC001219661280 824874769 /nfs/dbraw/zinc/87/47/69/824874769.db2.gz AXKNWVCTZTZJCL-DTWKUNHWSA-N 2 2 263.345 -0.012 20 0 CBADLP Cc1cc(C)c(CNC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)c(=O)[nH]1 ZINC001219691864 824880240 /nfs/dbraw/zinc/88/02/40/824880240.db2.gz YHHOGHQKSPZHCH-KOLCDFICSA-N 2 2 264.329 -0.291 20 0 CBADLP C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]([NH3+])CC2CCC2)C1 ZINC001219695801 824880772 /nfs/dbraw/zinc/88/07/72/824880772.db2.gz YWPFNPGDHDSZLD-NEPJUHHUSA-N 2 2 255.362 -0.049 20 0 CBADLP C[N@H+]1CCO[C@H](CNC(=O)[C@@H]([NH3+])CC2CCC2)C1 ZINC001219695801 824880777 /nfs/dbraw/zinc/88/07/77/824880777.db2.gz YWPFNPGDHDSZLD-NEPJUHHUSA-N 2 2 255.362 -0.049 20 0 CBADLP C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@@H]3CC[NH2+]C[C@H]3O2)C1 ZINC001219694133 824881419 /nfs/dbraw/zinc/88/14/19/824881419.db2.gz FRQWWDGXSFDMOB-QNWHQSFQSA-N 2 2 283.372 -0.800 20 0 CBADLP C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@@H]3CC[NH2+]C[C@H]3O2)C1 ZINC001219694133 824881422 /nfs/dbraw/zinc/88/14/22/824881422.db2.gz FRQWWDGXSFDMOB-QNWHQSFQSA-N 2 2 283.372 -0.800 20 0 CBADLP C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CC[NH2+]C[C@@H]2F)C1 ZINC001219695229 824882010 /nfs/dbraw/zinc/88/20/10/824882010.db2.gz RSOLTECMXOHWJP-VWYCJHECSA-N 2 2 259.325 -0.619 20 0 CBADLP C[N@H+]1CCO[C@H](CNC(=O)[C@H]2CC[NH2+]C[C@@H]2F)C1 ZINC001219695229 824882014 /nfs/dbraw/zinc/88/20/14/824882014.db2.gz RSOLTECMXOHWJP-VWYCJHECSA-N 2 2 259.325 -0.619 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCc2ccc3c(c2)CC[NH2+]C3)C1 ZINC001219705885 824883504 /nfs/dbraw/zinc/88/35/04/824883504.db2.gz SBJTZBJMARONSA-KGLIPLIRSA-N 3 2 274.368 -0.362 20 0 CBADLP O=C(NC[C@]1(F)CCC[NH2+]C1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001219768417 824890910 /nfs/dbraw/zinc/89/09/10/824890910.db2.gz MMHXHGFIGFPXNK-WXHSDQCUSA-N 3 2 270.352 -0.854 20 0 CBADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@]1(F)CCC[NH2+]C1 ZINC001219767718 824892233 /nfs/dbraw/zinc/89/22/33/824892233.db2.gz CRNLDFCRTKPFNG-PWSUYJOCSA-N 3 2 269.324 -0.513 20 0 CBADLP O=C(NC1CC2(C1)CC[NH2+]CC2)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001219774763 824893456 /nfs/dbraw/zinc/89/34/56/824893456.db2.gz CIAKTOUZLHMVPJ-WCFLWFBJSA-N 3 2 278.400 -0.415 20 0 CBADLP O=C(N[C@@H]1C[NH2+]Cc2ccsc21)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001219823272 824899032 /nfs/dbraw/zinc/89/90/32/824899032.db2.gz OJXIUMWDVHXBAN-MISXGVKJSA-N 3 2 292.408 -0.040 20 0 CBADLP [NH3+]CCNC(=O)C[C@@H]([NH3+])C(=O)OCc1ccccc1 ZINC001219867457 824904703 /nfs/dbraw/zinc/90/47/03/824904703.db2.gz JBSMLLQJVZSWON-LLVKDONJSA-N 2 2 265.313 -0.478 20 0 CBADLP CC[C@H](C)[C@@H](CO)NC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001219883581 824909560 /nfs/dbraw/zinc/90/95/60/824909560.db2.gz VJIOZPXLFWBFAK-KQXIARHKSA-N 2 2 255.362 -0.539 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N[C@H]1CCc2[nH]c(=O)ccc2C1 ZINC001219890687 824910639 /nfs/dbraw/zinc/91/06/39/824910639.db2.gz JUFRNKAWZJNPBI-DCAQKATOSA-N 2 2 276.340 -0.693 20 0 CBADLP C[C@@H](C[NH+](C)C)NC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001219916022 824913839 /nfs/dbraw/zinc/91/38/39/824913839.db2.gz IEGAWZUCUNLKJK-ONGXEEELSA-N 3 2 253.350 -0.644 20 0 CBADLP C[NH+](C)CCCCCNC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001219921275 824915173 /nfs/dbraw/zinc/91/51/73/824915173.db2.gz RBNMCLSUDSNSJK-RWMBFGLXSA-N 3 2 268.405 -0.216 20 0 CBADLP CC(C)(C)C(=O)CNC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001219943272 824918425 /nfs/dbraw/zinc/91/84/25/824918425.db2.gz ASZGPBSZDWEIAA-LPEHRKFASA-N 2 2 253.346 -0.332 20 0 CBADLP CC(C)(C)C(=O)CNC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001219943344 824918452 /nfs/dbraw/zinc/91/84/52/824918452.db2.gz FAFXBQLNEYNDEH-ZANVPECISA-N 2 2 253.346 -0.331 20 0 CBADLP C[NH+](C)Cc1cccc(CNC(=O)[C@H]2C[NH2+]C[C@H]2O)c1 ZINC001219943617 824919138 /nfs/dbraw/zinc/91/91/38/824919138.db2.gz QZELLHJONZDOCX-UONOGXRCSA-N 2 2 277.368 -0.055 20 0 CBADLP Cc1nonc1CNC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001219948578 824920539 /nfs/dbraw/zinc/92/05/39/824920539.db2.gz YRTQXPQKAJAXES-QMMMGPOBSA-N 2 2 250.262 -0.713 20 0 CBADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)NC[C@H]2CCC(=O)N2)cc1 ZINC001219959589 824921618 /nfs/dbraw/zinc/92/16/18/824921618.db2.gz ZMUAYFHNJPRGRK-VXGBXAGGSA-N 2 2 276.340 -0.347 20 0 CBADLP NC(=O)c1ccc(CNC(=O)C2([NH3+])CC[NH2+]CC2)cc1 ZINC001219960807 824922190 /nfs/dbraw/zinc/92/21/90/824922190.db2.gz AIBXWUNYTZMRQK-UHFFFAOYSA-N 2 2 276.340 -0.517 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H]([NH3+])C2CCCCC2)C[NH2+]1 ZINC001219965661 824923578 /nfs/dbraw/zinc/92/35/78/824923578.db2.gz WGFRKAYMBURGSP-WOPDTQHZSA-N 2 2 283.372 -0.086 20 0 CBADLP NC(=O)c1ccc(CNC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)cc1 ZINC001219961816 824923975 /nfs/dbraw/zinc/92/39/75/824923975.db2.gz XJLAKFSOFPOWCF-MNOVXSKESA-N 2 2 262.313 -0.909 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@H]2C[C@@H](C)CC[NH2+]2)C[NH2+]1 ZINC001219965361 824924040 /nfs/dbraw/zinc/92/40/40/824924040.db2.gz KKUSHHQYTFYZDW-ZDCRXTMVSA-N 2 2 269.345 -0.606 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@@]2(C)CCC[NH2+]2)C[NH2+]1 ZINC001219965311 824924448 /nfs/dbraw/zinc/92/44/48/824924448.db2.gz JANYPGJIUHXGDZ-VDDIYKPWSA-N 2 2 255.318 -0.852 20 0 CBADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)NC[C@@H]1CCCCO1 ZINC001219978116 824927150 /nfs/dbraw/zinc/92/71/50/824927150.db2.gz DBOGGLIMGXCHJD-QWHCGFSZSA-N 2 2 284.404 -0.578 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCC(=O)N2CCc3ccccc32)C1 ZINC001219978588 824927644 /nfs/dbraw/zinc/92/76/44/824927644.db2.gz PFSDICBLPDARBE-NEPJUHHUSA-N 2 2 288.351 -0.619 20 0 CBADLP O=C(NC[C@@H]1CCCCO1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001219978727 824928322 /nfs/dbraw/zinc/92/83/22/824928322.db2.gz RCYPDBQUPRBMBX-FIQHERPVSA-N 2 2 253.346 -0.378 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NCc1cncnc1 ZINC001220007359 824932348 /nfs/dbraw/zinc/93/23/48/824932348.db2.gz MWEPDSWELBZGCT-NSHDSACASA-N 2 2 260.301 -0.604 20 0 CBADLP CN1C[C@H](NC(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)CCC1=O ZINC001220006933 824932903 /nfs/dbraw/zinc/93/29/03/824932903.db2.gz FPZFNGNADAJFIU-OLZOCXBDSA-N 2 2 290.367 -0.004 20 0 CBADLP CN1C[C@@H](NC(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)CCC1=O ZINC001220006934 824933020 /nfs/dbraw/zinc/93/30/20/824933020.db2.gz FPZFNGNADAJFIU-QWHCGFSZSA-N 2 2 290.367 -0.004 20 0 CBADLP Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001220043114 824941639 /nfs/dbraw/zinc/94/16/39/824941639.db2.gz FVJPADIVRKCQJW-NSHDSACASA-N 3 2 289.343 -0.927 20 0 CBADLP CCCCOC(=O)[C@H](C)NC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220049197 824943514 /nfs/dbraw/zinc/94/35/14/824943514.db2.gz CEUZQFRFWWSZJR-WDMOLILDSA-N 2 2 283.372 -0.214 20 0 CBADLP COC(=O)C1(NC(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)CCCC1 ZINC001220047713 824943666 /nfs/dbraw/zinc/94/36/66/824943666.db2.gz CZWSTLFXDVYNMD-QMTHXVAHSA-N 2 2 281.356 -0.460 20 0 CBADLP CCOC(=O)C(C)(C)NC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220063934 824948021 /nfs/dbraw/zinc/94/80/21/824948021.db2.gz KFNVVZYJOZYXFU-TVQRCGJNSA-N 2 2 269.345 -0.604 20 0 CBADLP Cc1[nH+]c(N)ccc1CNC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001220071540 824951006 /nfs/dbraw/zinc/95/10/06/824951006.db2.gz ICWPNSOOGICTRE-UHFFFAOYSA-N 3 2 277.372 -0.070 20 0 CBADLP CCOC(=O)C(F)(F)CNC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220097172 824954674 /nfs/dbraw/zinc/95/46/74/824954674.db2.gz RLIDNJQHGWCELK-KWQFWETISA-N 2 2 291.298 -0.748 20 0 CBADLP CO[C@@H]1COCC[C@H]1NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220140770 824965293 /nfs/dbraw/zinc/96/52/93/824965293.db2.gz AMOBFEYDOKGXNR-HBNTYKKESA-N 2 2 268.317 -0.800 20 0 CBADLP Cn1cc2cccc(CNC(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)c2n1 ZINC001220143529 824967058 /nfs/dbraw/zinc/96/70/58/824967058.db2.gz LRKBGQKJWLWKGQ-NEPJUHHUSA-N 2 2 273.340 -0.121 20 0 CBADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)NCc1cc[nH]c(=O)c1 ZINC001220148194 824969588 /nfs/dbraw/zinc/96/95/88/824969588.db2.gz PRJSEPLAGNLLDX-LBPRGKRZSA-N 2 2 293.371 -0.846 20 0 CBADLP COC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001220163613 824974307 /nfs/dbraw/zinc/97/43/07/824974307.db2.gz SDMHVMOOHWKMEG-MJVIPROJSA-N 2 2 283.372 -0.085 20 0 CBADLP N=C(NC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2)c1ccc(F)cn1 ZINC001220170417 824975592 /nfs/dbraw/zinc/97/55/92/824975592.db2.gz KAQDFDGOQCPYGT-SDBXPKJASA-N 2 2 277.303 -0.386 20 0 CBADLP CCC1(CNC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)COC1 ZINC001220170931 824976754 /nfs/dbraw/zinc/97/67/54/824976754.db2.gz YRFPZAJOQBRVLD-SNVBAGLBSA-N 2 2 252.318 -0.178 20 0 CBADLP Cn1ccc(CNC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)cc1=O ZINC001220179739 824979208 /nfs/dbraw/zinc/97/92/08/824979208.db2.gz QMJIOYYWFZVLPY-GYSYKLTISA-N 2 2 276.340 -0.777 20 0 CBADLP C[C@H](NC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2)c1cncnc1 ZINC001220183548 824981372 /nfs/dbraw/zinc/98/13/72/824981372.db2.gz SASQBQVWXAVCDS-UFGOTCBOSA-N 2 2 261.329 -0.395 20 0 CBADLP C[C@@H](NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2)c1cncnc1 ZINC001220183458 824981619 /nfs/dbraw/zinc/98/16/19/824981619.db2.gz PTHXCALFOROEDX-VUXODMRMSA-N 2 2 261.329 -0.124 20 0 CBADLP [NH3+]CCC[NH2+]CC(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC001220189065 824982530 /nfs/dbraw/zinc/98/25/30/824982530.db2.gz LBIACAQCHLCDLF-SECBINFHSA-N 3 2 264.320 -0.714 20 0 CBADLP [NH3+]CCC[C@H]([NH3+])C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC001220187006 824982614 /nfs/dbraw/zinc/98/26/14/824982614.db2.gz XDEQRGMJMPKXQA-BDAKNGLRSA-N 3 2 264.320 -0.586 20 0 CBADLP [NH3+][C@H](C(=O)NC[C@@H]1CC[NH2+]CC1(F)F)C1CC[NH2+]CC1 ZINC001220187154 824983201 /nfs/dbraw/zinc/98/32/01/824983201.db2.gz ZQMAXRBLGSBCOE-QWRGUYRKSA-N 3 2 290.358 -0.326 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NC[C@@H]1CC(C)(C)O1 ZINC001220200346 824984948 /nfs/dbraw/zinc/98/49/48/824984948.db2.gz HXJZBMRITAUFDW-QWRGUYRKSA-N 2 2 266.345 -0.026 20 0 CBADLP O=C(NC1(c2cccnn2)CC1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220209741 824988322 /nfs/dbraw/zinc/98/83/22/824988322.db2.gz CJGRSTOJTZYJQV-HZMBPMFUSA-N 2 2 273.340 -0.467 20 0 CBADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NC1(c2cccnn2)CC1 ZINC001220209707 824988383 /nfs/dbraw/zinc/98/83/83/824988383.db2.gz BBIWYUUSEVFNJX-JTQLQIEISA-N 2 2 272.312 -0.125 20 0 CBADLP O=C(NCc1nnc[nH]1)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220250406 824994085 /nfs/dbraw/zinc/99/40/85/824994085.db2.gz ZQBBOLWGIUVOIW-VIFPVBQESA-N 2 2 264.333 -0.705 20 0 CBADLP C[NH+](C)CCCC[C@H]([NH3+])C(=O)NCc1n[nH]c(=O)[nH]1 ZINC001220251944 824995813 /nfs/dbraw/zinc/99/58/13/824995813.db2.gz KGMJQDVRZWFVAI-QMMMGPOBSA-N 2 2 270.337 -0.814 20 0 CBADLP [NH3+]CCN(C(=O)[C@@H]1COCC[NH2+]1)c1cccnc1 ZINC001220263656 824999505 /nfs/dbraw/zinc/99/95/05/824999505.db2.gz SDAUIDPTCLNTJL-NSHDSACASA-N 2 2 250.302 -0.638 20 0 CBADLP CC1(C)OCC(NC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)CO1 ZINC001220270701 824999510 /nfs/dbraw/zinc/99/95/10/824999510.db2.gz CPAAUVLPQFOBTP-INTQDDNPSA-N 2 2 269.345 -0.796 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCCn2nnc3ccccc32)C1 ZINC001220272710 825001521 /nfs/dbraw/zinc/00/15/21/825001521.db2.gz KBTNMQVRXRQVHQ-KOLCDFICSA-N 2 2 274.328 -0.763 20 0 CBADLP Cn1cc(CCNC(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)cn1 ZINC001220276789 825002870 /nfs/dbraw/zinc/00/28/70/825002870.db2.gz QWCCSVZVUFHYSS-AAEUAGOBSA-N 2 2 263.345 -0.970 20 0 CBADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CC12CCOCC2 ZINC001220329244 825016889 /nfs/dbraw/zinc/01/68/89/825016889.db2.gz KBNLILFZJGLKHK-WDEREUQCSA-N 2 2 264.329 -0.035 20 0 CBADLP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001220333309 825017136 /nfs/dbraw/zinc/01/71/36/825017136.db2.gz TUNSOKLAWKEBHR-UPJWGTAASA-N 3 2 268.405 -0.088 20 0 CBADLP COc1ccc(CNC(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)nn1 ZINC001220342948 825018123 /nfs/dbraw/zinc/01/81/23/825018123.db2.gz BQSFGLAIUSLGJP-ZANVPECISA-N 2 2 277.328 -0.947 20 0 CBADLP C[C@@H](NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2)c1cnccn1 ZINC001220369572 825021157 /nfs/dbraw/zinc/02/11/57/825021157.db2.gz YMFSAYMADMKMLV-PRFIWBCESA-N 2 2 261.329 -0.124 20 0 CBADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC12CC[NH+](CC1)CC2 ZINC001220394261 825028372 /nfs/dbraw/zinc/02/83/72/825028372.db2.gz BMRDTLVNCSKHCM-LBPRGKRZSA-N 3 2 277.372 -0.118 20 0 CBADLP [NH3+]C1(C(=O)NCC23CC[NH+](CC2)CC3)CC[NH2+]CC1 ZINC001220395152 825028821 /nfs/dbraw/zinc/02/88/21/825028821.db2.gz YKTGCULOBYYRCK-UHFFFAOYSA-N 3 2 266.389 -0.331 20 0 CBADLP COc1ccc(CCNC(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)nc1 ZINC001220396628 825030819 /nfs/dbraw/zinc/03/08/19/825030819.db2.gz FYIJEFKCYGEOEN-ABAIWWIYSA-N 2 2 290.367 -0.300 20 0 CBADLP [NH3+]CC[C@H]([NH3+])C(=O)N[C@H]1c2ccccc2CNC1=O ZINC001220403565 825031553 /nfs/dbraw/zinc/03/15/53/825031553.db2.gz VUYWWYQXZLFCHY-QWRGUYRKSA-N 2 2 262.313 -0.850 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N[C@H]2c3ccccc3CNC2=O)C1 ZINC001220403600 825031798 /nfs/dbraw/zinc/03/17/98/825031798.db2.gz WPYHHPKHPYBDBL-USWWRNFRSA-N 2 2 274.324 -0.837 20 0 CBADLP COC(=O)[C@H]1CC[C@H](NC(=O)C2([NH3+])CC[NH2+]CC2)C1 ZINC001220406742 825033879 /nfs/dbraw/zinc/03/38/79/825033879.db2.gz WIDPNXHWBSNUSE-UWVGGRQHSA-N 2 2 269.345 -0.475 20 0 CBADLP CSc1nc(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)cc(=O)n1C ZINC001220435273 825038369 /nfs/dbraw/zinc/03/83/69/825038369.db2.gz FYHIPWZVFDEHLF-RQJHMYQMSA-N 2 2 283.357 -0.870 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N[C@H](CO)C(F)(F)F ZINC001220447747 825041419 /nfs/dbraw/zinc/04/14/19/825041419.db2.gz OTZXHBFKDAQMCS-JGVFFNPUSA-N 2 2 280.250 -0.671 20 0 CBADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](CO)C(F)(F)F ZINC001220447151 825041913 /nfs/dbraw/zinc/04/19/13/825041913.db2.gz CUCZVQPDVKEFLC-NKWVEPMBSA-N 2 2 266.223 -0.681 20 0 CBADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)NCC1([NH3+])CCCC1 ZINC001220497067 825050597 /nfs/dbraw/zinc/05/05/97/825050597.db2.gz JGXXTQFZWGNFHO-LBPRGKRZSA-N 3 2 283.420 -0.876 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NCc1nccc(Cl)n1 ZINC001220530087 825058949 /nfs/dbraw/zinc/05/89/49/825058949.db2.gz NAYJGYXEXXZKJT-BQBZGAKWSA-N 2 2 255.709 -0.707 20 0 CBADLP O=C(NCc1nccc(Cl)n1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220529576 825059700 /nfs/dbraw/zinc/05/97/00/825059700.db2.gz FDBQYHCUWBKSEN-UFBFGSQYSA-N 2 2 281.747 -0.302 20 0 CBADLP C[C@@H]1COCC[C@@H]1NC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001220564807 825063376 /nfs/dbraw/zinc/06/33/76/825063376.db2.gz GFFREUGCDDLFBJ-USWWRNFRSA-N 2 2 266.345 -0.169 20 0 CBADLP [NH3+][C@H](C(=O)NCC[NH+]1CC2(COC2)C1)C1CCC(O)CC1 ZINC001220571780 825066908 /nfs/dbraw/zinc/06/69/08/825066908.db2.gz ZSHUCCRSVPSGKX-BPCQOVAHSA-N 2 2 297.399 -0.687 20 0 CBADLP CC(C)(O)CCCNC(=O)[C@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001220575402 825068179 /nfs/dbraw/zinc/06/81/79/825068179.db2.gz HQSBTGZKEGKKIQ-GFCCVEGCSA-N 2 2 286.420 -0.596 20 0 CBADLP COC(=O)[C@H](NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)C(F)(F)F ZINC001220587839 825071175 /nfs/dbraw/zinc/07/11/75/825071175.db2.gz LFNWTNHCFWWDRE-HSNKUXOKSA-N 2 2 295.261 -0.844 20 0 CBADLP CN1CCC[C@H](NC(=O)C[NH2+]C2CC[NH2+]CC2)C1=O ZINC001220591080 825073395 /nfs/dbraw/zinc/07/33/95/825073395.db2.gz WOCUBROZRHPUOH-NSHDSACASA-N 2 2 268.361 -0.935 20 0 CBADLP CC(=O)N1CC(NC(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)C1 ZINC001220599223 825074620 /nfs/dbraw/zinc/07/46/20/825074620.db2.gz PVCAPXMJASNQCH-CYBMUJFWSA-N 2 2 276.340 -0.394 20 0 CBADLP CCOC(=O)[C@@H]1CCC[C@@H]1NC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220660534 825081657 /nfs/dbraw/zinc/08/16/57/825081657.db2.gz IMTZCTVYOQGLRD-MCYUEQNJSA-N 2 2 295.383 -0.214 20 0 CBADLP CC(C)(C)NC(=O)CCNC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001220709457 825088832 /nfs/dbraw/zinc/08/88/32/825088832.db2.gz YCABRIRDDOFWBK-RULNRJAQSA-N 2 2 282.388 -0.371 20 0 CBADLP Nc1ncc(CCNC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)s1 ZINC001220703553 825090250 /nfs/dbraw/zinc/09/02/50/825090250.db2.gz ADMFXSFHYJIZDV-VIFPVBQESA-N 2 2 280.357 -0.323 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C1CC2(C[NH2+]C2)C1 ZINC001220725564 825093659 /nfs/dbraw/zinc/09/36/59/825093659.db2.gz UKJDBGCLJBVTQE-NSHDSACASA-N 2 2 267.373 -0.177 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)C1CC2(C[NH2+]C2)C1 ZINC001220725564 825093663 /nfs/dbraw/zinc/09/36/63/825093663.db2.gz UKJDBGCLJBVTQE-NSHDSACASA-N 2 2 267.373 -0.177 20 0 CBADLP CC(=O)NCCCCCNC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220759418 825096952 /nfs/dbraw/zinc/09/69/52/825096952.db2.gz ZJWCZDGCFNHNHT-GXTWGEPZSA-N 2 2 282.388 -0.640 20 0 CBADLP CC(=O)NCCCCCNC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001220759240 825097415 /nfs/dbraw/zinc/09/74/15/825097415.db2.gz UCERGJHUANLINR-ZDUSSCGKSA-N 2 2 295.387 -0.288 20 0 CBADLP CC1(C)[C@H](O)C[C@H]1NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001220766997 825099145 /nfs/dbraw/zinc/09/91/45/825099145.db2.gz ZJOUBMSHRACUJB-ACDNLYMZSA-N 2 2 253.346 -0.516 20 0 CBADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)[C@@]1(C)CC[NH2+]C1 ZINC001220772937 825101549 /nfs/dbraw/zinc/10/15/49/825101549.db2.gz WFKSZUHNRWQIKA-FZMZJTMJSA-N 2 2 294.355 -0.380 20 0 CBADLP [NH3+]C1(C(=O)N[C@@H]2CC[NH2+]C[C@H]2C(F)(F)F)CC[NH2+]CC1 ZINC001220803494 825104737 /nfs/dbraw/zinc/10/47/37/825104737.db2.gz HSRQOLWPMGLWQM-RKDXNWHRSA-N 3 2 294.321 -0.276 20 0 CBADLP O=C(NCCN1CCC(F)(F)C1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220808715 825105456 /nfs/dbraw/zinc/10/54/56/825105456.db2.gz VLDJZWZCOWWRIT-MFKMUULPSA-N 2 2 288.342 -0.605 20 0 CBADLP CCOC(=O)C1=C(NC(=O)Cc2c[nH]c[nH+]2)C[NH2+]C1 ZINC001220825415 825107093 /nfs/dbraw/zinc/10/70/93/825107093.db2.gz GOICFXMKTJUAIJ-UHFFFAOYSA-N 2 2 264.285 -0.511 20 0 CBADLP CCOC(=O)C1(NC(=O)[C@@H]([NH3+])c2ccsc2)C[NH2+]C1 ZINC001220848749 825111087 /nfs/dbraw/zinc/11/10/87/825111087.db2.gz HLGDQYSAJIJSKZ-VIFPVBQESA-N 2 2 283.353 -0.231 20 0 CBADLP CCOC(=O)C1(NC(=O)c2cnc(C[NH3+])s2)C[NH2+]C1 ZINC001220852973 825112761 /nfs/dbraw/zinc/11/27/61/825112761.db2.gz GIPUOZQHJFWFQY-UHFFFAOYSA-N 2 2 284.341 -0.763 20 0 CBADLP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220857793 825113943 /nfs/dbraw/zinc/11/39/43/825113943.db2.gz RYMYIXJRRSNEHN-UWVGGRQHSA-N 3 2 253.350 -0.231 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NCCc1c[nH]c2cc[nH+]cc12 ZINC001220865647 825115472 /nfs/dbraw/zinc/11/54/72/825115472.db2.gz GERPVBHFNXDETR-RYUDHWBXSA-N 3 2 273.340 -0.232 20 0 CBADLP CCC[C@@H](CCO)NC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001220868168 825115807 /nfs/dbraw/zinc/11/58/07/825115807.db2.gz DKBROGRDNDZHOX-JQWIXIFHSA-N 2 2 268.361 -0.043 20 0 CBADLP COC(=O)[C@@H]1C[C@H]1CNC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001220881310 825118204 /nfs/dbraw/zinc/11/82/04/825118204.db2.gz IHJMUTWLOLMYGK-LQHUWPKJSA-N 2 2 267.329 -0.867 20 0 CBADLP [NH3+][C@H]1CC[C@H](N(C(=O)C2([NH3+])CC[NH2+]CC2)C2COC2)CC1 ZINC001220929986 825123306 /nfs/dbraw/zinc/12/33/06/825123306.db2.gz IWZZEWZRXDKDLW-HAQNSBGRSA-N 3 2 296.415 -0.435 20 0 CBADLP O=C(NC1(c2ncccn2)CC1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220933177 825126371 /nfs/dbraw/zinc/12/63/71/825126371.db2.gz ZUWFVBZRBOZFTL-YGRLFVJLSA-N 2 2 273.340 -0.467 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NCC(=O)NCc1ccc(F)cc1 ZINC001220939882 825127513 /nfs/dbraw/zinc/12/75/13/825127513.db2.gz ZOXCIBSTCSBAAP-RYUDHWBXSA-N 2 2 294.330 -0.895 20 0 CBADLP COc1ccc(CNC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])nc1OC ZINC001220956131 825128579 /nfs/dbraw/zinc/12/85/79/825128579.db2.gz VVXIQNSEIJABRV-UWVGGRQHSA-N 2 2 280.328 -0.738 20 0 CBADLP CC(C)Oc1nccc(CNC(=O)C2([NH3+])CC[NH2+]CC2)n1 ZINC001220988041 825131263 /nfs/dbraw/zinc/13/12/63/825131263.db2.gz FWLCDMVDQTWVEQ-UHFFFAOYSA-N 2 2 293.371 -0.039 20 0 CBADLP CCOCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001220979812 825133038 /nfs/dbraw/zinc/13/30/38/825133038.db2.gz WDTILVLQJMRKLN-OLZOCXBDSA-N 2 2 285.388 -0.720 20 0 CBADLP CCOCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001220979812 825133041 /nfs/dbraw/zinc/13/30/41/825133041.db2.gz WDTILVLQJMRKLN-OLZOCXBDSA-N 2 2 285.388 -0.720 20 0 CBADLP O=C(NCC1(c2cnccn2)CC1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220993040 825133877 /nfs/dbraw/zinc/13/38/77/825133877.db2.gz YUCSDNXBLXIQSM-XHDPSFHLSA-N 2 2 287.367 -0.424 20 0 CBADLP CC(C)C(=O)N[C@H]1CC[C@H](NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])CC1 ZINC001221008072 825135248 /nfs/dbraw/zinc/13/52/48/825135248.db2.gz IMRCSAWOQNOCCX-CYDGBPFRSA-N 2 2 296.415 -0.267 20 0 CBADLP COC[C@@H](NC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C)C1CC1 ZINC001221013616 825137254 /nfs/dbraw/zinc/13/72/54/825137254.db2.gz VBDLJEUSWDAMRH-NWDGAFQWSA-N 2 2 266.345 -0.169 20 0 CBADLP COc1cc(C)[nH]c(=O)c1CNC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001221015244 825137401 /nfs/dbraw/zinc/13/74/01/825137401.db2.gz BBGRHAQMTKAOGL-WPRPVWTQSA-N 2 2 280.328 -0.733 20 0 CBADLP COC[C@H](NC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2)C1CC1 ZINC001221012969 825137444 /nfs/dbraw/zinc/13/74/44/825137444.db2.gz GFKHYURTBUJOGJ-GVXVVHGQSA-N 2 2 253.346 -0.521 20 0 CBADLP COC[C@H](NC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2)C1CC1 ZINC001221012971 825137718 /nfs/dbraw/zinc/13/77/18/825137718.db2.gz GFKHYURTBUJOGJ-NTZNESFSSA-N 2 2 253.346 -0.521 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCc2cncn2C2CCC2)C1 ZINC001221023290 825138506 /nfs/dbraw/zinc/13/85/06/825138506.db2.gz HBSUVEPAIOLQOU-SKDRFNHKSA-N 2 2 263.345 -0.087 20 0 CBADLP CC(C)n1ccc(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])cc1=O ZINC001221151779 825147865 /nfs/dbraw/zinc/14/78/65/825147865.db2.gz LYICXYMLALVDRF-QWRGUYRKSA-N 2 2 264.329 -0.086 20 0 CBADLP COCC1(CNC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)CCOCC1 ZINC001221176932 825149698 /nfs/dbraw/zinc/14/96/98/825149698.db2.gz URJYWXLRUOMGNV-MNOVXSKESA-N 2 2 271.361 -0.765 20 0 CBADLP COC(=O)[C@@](C)(NC(=O)C1([NH3+])CC[NH2+]CC1)C(F)(F)F ZINC001221219516 825156875 /nfs/dbraw/zinc/15/68/75/825156875.db2.gz ZCNWUOAYNOKDDT-SECBINFHSA-N 2 2 297.277 -0.323 20 0 CBADLP CCCC[C@H](NC(=O)C[NH2+]C1CC[NH2+]CC1)C(N)=O ZINC001221235206 825158026 /nfs/dbraw/zinc/15/80/26/825158026.db2.gz WIHAKTCIADJZKK-NSHDSACASA-N 2 2 270.377 -0.512 20 0 CBADLP O=C(N[C@@H]1CCOC[C@@H]1F)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001221243732 825159817 /nfs/dbraw/zinc/15/98/17/825159817.db2.gz LTWKLTZTPQOOFS-QUARPLMYSA-N 2 2 257.309 -0.821 20 0 CBADLP C[N@@H+]1CCC[C@@](C)(NC(=O)[C@@H](N)C[NH+]2CCC([NH3+])CC2)C1 ZINC001221243744 825160805 /nfs/dbraw/zinc/16/08/05/825160805.db2.gz MGLGPWIEKITUKQ-DZGCQCFKSA-N 3 2 297.447 -0.663 20 0 CBADLP C[N@H+]1CCC[C@@](C)(NC(=O)[C@@H](N)C[NH+]2CCC([NH3+])CC2)C1 ZINC001221243744 825160808 /nfs/dbraw/zinc/16/08/08/825160808.db2.gz MGLGPWIEKITUKQ-DZGCQCFKSA-N 3 2 297.447 -0.663 20 0 CBADLP O=C(NC[C@]1(CC2CC2)CCC[NH2+]1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001221246339 825162290 /nfs/dbraw/zinc/16/22/90/825162290.db2.gz YFYIXSWZXVLPAN-BMFZPTHFSA-N 3 2 292.427 -0.024 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NC[C@H]1c2ccccc2NC1=O ZINC001221311698 825169526 /nfs/dbraw/zinc/16/95/26/825169526.db2.gz HPDJALOEYBRIPV-DCAQKATOSA-N 2 2 274.324 -0.615 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NC[C@H]2c3ccccc3NC2=O)C1 ZINC001221309639 825169794 /nfs/dbraw/zinc/16/97/94/825169794.db2.gz UELYEYFPPPWLHG-QRTLGDNMSA-N 2 2 274.324 -0.472 20 0 CBADLP COc1cnccc1CCNC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001221337770 825173471 /nfs/dbraw/zinc/17/34/71/825173471.db2.gz VGZFCZJNGGTYMT-RWMBFGLXSA-N 2 2 290.367 -0.301 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](C(=O)NCCCC[NH3+])CC[NH2+]1 ZINC001221345245 825174676 /nfs/dbraw/zinc/17/46/76/825174676.db2.gz ROHFNZVPUJYDMA-UWVGGRQHSA-N 2 2 257.334 -0.617 20 0 CBADLP COC(=O)[C@H]1C[C@@H](C(=O)NCCCC[NH3+])CC[NH2+]1 ZINC001221345246 825175051 /nfs/dbraw/zinc/17/50/51/825175051.db2.gz ROHFNZVPUJYDMA-VHSXEESVSA-N 2 2 257.334 -0.617 20 0 CBADLP COC(=O)[C@H]1C[C@H](C(=O)NCCCC[NH3+])CC[NH2+]1 ZINC001221345244 825175400 /nfs/dbraw/zinc/17/54/00/825175400.db2.gz ROHFNZVPUJYDMA-NXEZZACHSA-N 2 2 257.334 -0.617 20 0 CBADLP COC1CC(CNC(=O)[C@H](N)C[NH+]2CCC([NH3+])CC2)C1 ZINC001221367992 825177392 /nfs/dbraw/zinc/17/73/92/825177392.db2.gz VKYMCPGQPXYEMV-KGPNIALWSA-N 2 2 284.404 -0.722 20 0 CBADLP CC1(C)C(=O)NC[C@@H]1NC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001221368558 825177698 /nfs/dbraw/zinc/17/76/98/825177698.db2.gz GISKKWZHBHIHGD-NEPJUHHUSA-N 2 2 290.367 -0.101 20 0 CBADLP O=C(NC[C@@H](CO)c1ccccc1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001221377417 825179026 /nfs/dbraw/zinc/17/90/26/825179026.db2.gz NMPFEZFGGGCEKE-OFQRWUPVSA-N 2 2 289.379 -0.170 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NC[C@@H](CO)c1ccccc1 ZINC001221376644 825179340 /nfs/dbraw/zinc/17/93/40/825179340.db2.gz FBWUFSYSTMZDLH-AVGNSLFASA-N 2 2 263.341 -0.575 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCCOc2ccncc2)C1 ZINC001221394143 825181130 /nfs/dbraw/zinc/18/11/30/825181130.db2.gz WWOAOIVQKXRQPX-KOLCDFICSA-N 2 2 250.302 -0.734 20 0 CBADLP O=C(NCCOc1cc[nH+]cc1)[C@@H]1C[NH2+]CCN1 ZINC001221393898 825181730 /nfs/dbraw/zinc/18/17/30/825181730.db2.gz QOPYQNRACXSCGO-NSHDSACASA-N 2 2 250.302 -0.862 20 0 CBADLP C[C@]1(NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)CCCOC1 ZINC001221402595 825183022 /nfs/dbraw/zinc/18/30/22/825183022.db2.gz JCDOVUMXAXNRPS-PWSUYJOCSA-N 2 2 252.318 -0.035 20 0 CBADLP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)[C@@H](C)C1 ZINC001221407236 825183835 /nfs/dbraw/zinc/18/38/35/825183835.db2.gz KPSIWTRPNFBCER-DCAQKATOSA-N 2 2 295.391 -0.696 20 0 CBADLP CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)[C@@H](C)C1 ZINC001221407236 825183838 /nfs/dbraw/zinc/18/38/38/825183838.db2.gz KPSIWTRPNFBCER-DCAQKATOSA-N 2 2 295.391 -0.696 20 0 CBADLP CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)[C@H](C)C1 ZINC001221407238 825184627 /nfs/dbraw/zinc/18/46/27/825184627.db2.gz KPSIWTRPNFBCER-OUAUKWLOSA-N 2 2 295.391 -0.696 20 0 CBADLP CC(C)[N@H+]1CC[C@@H](NC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)[C@H](C)C1 ZINC001221407238 825184632 /nfs/dbraw/zinc/18/46/32/825184632.db2.gz KPSIWTRPNFBCER-OUAUKWLOSA-N 2 2 295.391 -0.696 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N[C@@H](C1CCC1)C1C[NH2+]C1 ZINC001221411378 825186849 /nfs/dbraw/zinc/18/68/49/825186849.db2.gz VZVFRYWWJFQCET-KBPBESRZSA-N 3 2 291.399 -0.206 20 0 CBADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N[C@H](C2CCC2)C2C[NH2+]C2)C1 ZINC001221415026 825187777 /nfs/dbraw/zinc/18/77/77/825187777.db2.gz WBYZVHCCHPMEAU-SDDRHHMPSA-N 3 2 252.362 -0.820 20 0 CBADLP CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001222099179 825200677 /nfs/dbraw/zinc/20/06/77/825200677.db2.gz UMFVTIHYVQPQIP-LBPRGKRZSA-N 2 2 293.371 -0.400 20 0 CBADLP CNC(=O)C[NH2+][C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001222099215 825200741 /nfs/dbraw/zinc/20/07/41/825200741.db2.gz VCCJYMFAOJOSNH-NSHDSACASA-N 2 2 279.344 -0.790 20 0 CBADLP NC(=O)C[NH2+][C@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001222088543 825200947 /nfs/dbraw/zinc/20/09/47/825200947.db2.gz VXWSCFDTGITGOC-LBPRGKRZSA-N 2 2 293.371 -0.271 20 0 CBADLP COC[C@H](O)C[NH2+][C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001222098764 825201337 /nfs/dbraw/zinc/20/13/37/825201337.db2.gz PPGDFXCJPDDQSX-CHWSQXEVSA-N 2 2 296.371 -0.529 20 0 CBADLP O=C1CC[C@@H](C[N@@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)N1 ZINC001222492193 825211763 /nfs/dbraw/zinc/21/17/63/825211763.db2.gz QKCBAZHTMXMGRX-SRVKXCTJSA-N 2 2 252.362 -0.709 20 0 CBADLP O=C1CC[C@@H](C[N@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)N1 ZINC001222492193 825211768 /nfs/dbraw/zinc/21/17/68/825211768.db2.gz QKCBAZHTMXMGRX-SRVKXCTJSA-N 2 2 252.362 -0.709 20 0 CBADLP C[NH+]1CCN(C(=O)CO[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001222543718 825216971 /nfs/dbraw/zinc/21/69/71/825216971.db2.gz UKNYFJLFCKNBTL-GFCCVEGCSA-N 2 2 278.356 -0.012 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NCC1CC[NH+](CCO)CC1 ZINC001224981561 825251940 /nfs/dbraw/zinc/25/19/40/825251940.db2.gz YQLSMUVPJPCJHY-UHFFFAOYSA-N 2 2 266.345 -0.227 20 0 CBADLP O=C(Cn1cc[nH+]c1)NCC1CC[NH+](CCO)CC1 ZINC001225676785 825261466 /nfs/dbraw/zinc/26/14/66/825261466.db2.gz OLAQLSZSEPTESV-UHFFFAOYSA-N 2 2 266.345 -0.296 20 0 CBADLP COC[C@H](O)C[NH+]1CCC(NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001229722805 825335941 /nfs/dbraw/zinc/33/59/41/825335941.db2.gz ARGNOXNTYUQEKM-GFCCVEGCSA-N 2 2 296.371 -0.460 20 0 CBADLP CCOCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001231369818 825405618 /nfs/dbraw/zinc/40/56/18/825405618.db2.gz WLBWKQUXYRQXDB-KGLIPLIRSA-N 2 2 299.415 -0.114 20 0 CBADLP CCOCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001231369818 825405622 /nfs/dbraw/zinc/40/56/22/825405622.db2.gz WLBWKQUXYRQXDB-KGLIPLIRSA-N 2 2 299.415 -0.114 20 0 CBADLP CCOCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001231369818 825405625 /nfs/dbraw/zinc/40/56/25/825405625.db2.gz WLBWKQUXYRQXDB-KGLIPLIRSA-N 2 2 299.415 -0.114 20 0 CBADLP CCOCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001231369818 825405628 /nfs/dbraw/zinc/40/56/28/825405628.db2.gz WLBWKQUXYRQXDB-KGLIPLIRSA-N 2 2 299.415 -0.114 20 0 CBADLP CC[N@H+](CCn1cc[nH+]c1)Cc1cn(C)c(=O)n(C)c1=O ZINC001231771653 825416125 /nfs/dbraw/zinc/41/61/25/825416125.db2.gz BAFNIAZXRCDSSX-UHFFFAOYSA-N 2 2 291.355 -0.197 20 0 CBADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1cn(C)c(=O)n(C)c1=O ZINC001231771653 825416126 /nfs/dbraw/zinc/41/61/26/825416126.db2.gz BAFNIAZXRCDSSX-UHFFFAOYSA-N 2 2 291.355 -0.197 20 0 CBADLP C(C[N@@H+]1CCN2CC[NH2+]C[C@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC001234974493 825477918 /nfs/dbraw/zinc/47/79/18/825477918.db2.gz KXEHWHNHQOGADS-KBPBESRZSA-N 3 2 252.406 -0.035 20 0 CBADLP C(C[N@H+]1CCN2CC[NH2+]C[C@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC001234974493 825477919 /nfs/dbraw/zinc/47/79/19/825477919.db2.gz KXEHWHNHQOGADS-KBPBESRZSA-N 3 2 252.406 -0.035 20 0 CBADLP [NH3+][C@@H]1NC(CN2CCN[C@@]3(CC[NH2+]C3)C2)=CS1 ZINC001235052358 825483434 /nfs/dbraw/zinc/48/34/34/825483434.db2.gz DJNCGTZZHIBLPV-GHMZBOCLSA-N 2 2 255.391 -0.956 20 0 CBADLP O=C1CCC[C@]2(C[NH2+]CC[N@@H+](CCCCO)C2)N1 ZINC001235173643 825486513 /nfs/dbraw/zinc/48/65/13/825486513.db2.gz DHYPCIVJIAUJQN-CYBMUJFWSA-N 2 2 255.362 -0.297 20 0 CBADLP O=C1CCC[C@]2(C[NH2+]CC[N@H+](CCCCO)C2)N1 ZINC001235173643 825486514 /nfs/dbraw/zinc/48/65/14/825486514.db2.gz DHYPCIVJIAUJQN-CYBMUJFWSA-N 2 2 255.362 -0.297 20 0 CBADLP CC1(C)[NH2+]C[C@@H](C[NH+]2CCC3(CC2)COCC(=O)N3)O1 ZINC001235205546 825489768 /nfs/dbraw/zinc/48/97/68/825489768.db2.gz NHQZHZUKICLVKS-NSHDSACASA-N 2 2 283.372 -0.308 20 0 CBADLP CC1(C)O[C@@H]2O[C@@H](C[N@@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)[C@@H](O)[C@@H]2O1 ZINC001235257257 825490975 /nfs/dbraw/zinc/49/09/75/825490975.db2.gz XLZLIHHBSTZGJF-XNJGVTPASA-N 2 2 298.383 -0.093 20 0 CBADLP CC1(C)O[C@@H]2O[C@@H](C[N@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)[C@@H](O)[C@@H]2O1 ZINC001235257257 825490979 /nfs/dbraw/zinc/49/09/79/825490979.db2.gz XLZLIHHBSTZGJF-XNJGVTPASA-N 2 2 298.383 -0.093 20 0 CBADLP [NH3+]CC[N@@H+]1CC[C@H]2CO[C@H](CNC(=O)c3ccno3)[C@H]2C1 ZINC001235576668 825504119 /nfs/dbraw/zinc/50/41/19/825504119.db2.gz ZOKHOWBGDQODJD-GMXVVIOVSA-N 2 2 294.355 -0.300 20 0 CBADLP [NH3+]CC[N@H+]1CC[C@H]2CO[C@H](CNC(=O)c3ccno3)[C@H]2C1 ZINC001235576668 825504123 /nfs/dbraw/zinc/50/41/23/825504123.db2.gz ZOKHOWBGDQODJD-GMXVVIOVSA-N 2 2 294.355 -0.300 20 0 CBADLP COCCN1CCC2(CC[NH+](CC[NH3+])CC2)C1=O ZINC001235597579 825507007 /nfs/dbraw/zinc/50/70/07/825507007.db2.gz QLCAWQVYKFDHJE-UHFFFAOYSA-N 2 2 255.362 -0.094 20 0 CBADLP [NH3+][C@H]1NC(CN2C[C@H]3COC[C@@H](C2)C3[NH3+])=CS1 ZINC001235994705 825519295 /nfs/dbraw/zinc/51/92/95/825519295.db2.gz VOAJUOHVXANEIQ-MAWKXKIJSA-N 2 2 256.375 -0.688 20 0 CBADLP COCCn1cc(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])cn1 ZINC001235993282 825519455 /nfs/dbraw/zinc/51/94/55/825519455.db2.gz GNIUHBHMLIMJSZ-PBWFPOADSA-N 2 2 280.372 -0.065 20 0 CBADLP COCCn1cc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])cn1 ZINC001235993282 825519461 /nfs/dbraw/zinc/51/94/61/825519461.db2.gz GNIUHBHMLIMJSZ-PBWFPOADSA-N 2 2 280.372 -0.065 20 0 CBADLP Cn1cc(C[N@@H+]2C[C@@H]3CC[C@]3([NH3+])C2)c(=O)n(C)c1=O ZINC001235987045 825519784 /nfs/dbraw/zinc/51/97/84/825519784.db2.gz DCNSELYQJWVGAH-GWCFXTLKSA-N 2 2 264.329 -0.993 20 0 CBADLP Cn1cc(C[N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)c(=O)n(C)c1=O ZINC001235987045 825519790 /nfs/dbraw/zinc/51/97/90/825519790.db2.gz DCNSELYQJWVGAH-GWCFXTLKSA-N 2 2 264.329 -0.993 20 0 CBADLP Nc1cccc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])[nH+]1 ZINC001236312771 825527038 /nfs/dbraw/zinc/52/70/38/825527038.db2.gz ZUYVYTXUOMWYJV-UHFFFAOYSA-N 3 2 294.403 -0.720 20 0 CBADLP COC(=O)[C@@H]1CN(Cc2cccc(N)[nH+]2)C[C@@H]1[NH3+] ZINC001236353765 825530866 /nfs/dbraw/zinc/53/08/66/825530866.db2.gz NLHDDEFMHYLSSN-ZJUUUORDSA-N 2 2 250.302 -0.404 20 0 CBADLP [NH3+]CCS(=O)(=O)NC1CC[NH+](CCF)CC1 ZINC001238594276 825556514 /nfs/dbraw/zinc/55/65/14/825556514.db2.gz FPEOGNIVRBAPOI-UHFFFAOYSA-N 2 2 253.343 -0.702 20 0 CBADLP [NH3+]CCS(=O)(=O)NCc1c[nH+]cn1C1CCC1 ZINC001238832718 825565869 /nfs/dbraw/zinc/56/58/69/825565869.db2.gz YTLFQCDHVVBNRS-UHFFFAOYSA-N 2 2 258.347 -0.014 20 0 CBADLP Cc1cc(F)ccc1S(=O)(=O)NCC[NH2+]CC[NH3+] ZINC001238839948 825566705 /nfs/dbraw/zinc/56/67/05/825566705.db2.gz XHJAAWCPUJCEOF-UHFFFAOYSA-N 2 2 275.349 -0.039 20 0 CBADLP [NH3+]CC[NH2+]CCNS(=O)(=O)c1cc(F)c(F)cc1F ZINC001238839456 825567075 /nfs/dbraw/zinc/56/70/75/825567075.db2.gz RWXJLGPFHOGSAW-UHFFFAOYSA-N 2 2 297.302 -0.070 20 0 CBADLP O=C(NCC1CC1)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001239287064 825598756 /nfs/dbraw/zinc/59/87/56/825598756.db2.gz UFFNDJKXXVEEFE-UHFFFAOYSA-N 2 2 269.393 -0.810 20 0 CBADLP O=C(Nc1cccnc1)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001239286625 825598851 /nfs/dbraw/zinc/59/88/51/825598851.db2.gz MZEOSLUAVGCYFJ-UHFFFAOYSA-N 2 2 292.387 -0.302 20 0 CBADLP O=C(Nc1ccccn1)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001239286363 825599633 /nfs/dbraw/zinc/59/96/33/825599633.db2.gz IFIMZLMDKYYIFG-UHFFFAOYSA-N 2 2 292.387 -0.302 20 0 CBADLP O=C(OCCF)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001239334146 825599831 /nfs/dbraw/zinc/59/98/31/825599831.db2.gz DAECIZHRYCWCOO-UHFFFAOYSA-N 2 2 262.329 -0.823 20 0 CBADLP C[C@H]1CC[C@H](NC[C@H](O)C[NH+]2CCOCC2)C[NH2+]1 ZINC001245971763 825616419 /nfs/dbraw/zinc/61/64/19/825616419.db2.gz CCZSGMMCSDYEQC-AVGNSLFASA-N 2 2 257.378 -0.590 20 0 CBADLP OC1(C[NH2+]C[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CCOCC1 ZINC001245989228 825618296 /nfs/dbraw/zinc/61/82/96/825618296.db2.gz ZAHNVERQKBZQNY-ZDUSSCGKSA-N 3 2 283.416 -0.008 20 0 CBADLP CCOC(=O)[C@H]([NH3+])CNC[C@H](O)C[NH2+]C(C)(C)C ZINC001246004354 825619865 /nfs/dbraw/zinc/61/98/65/825619865.db2.gz BYDLUMNDQYFSBW-VHSXEESVSA-N 2 2 261.366 -0.785 20 0 CBADLP CCOC(=O)[C@H](N)C[NH2+]C[C@H](O)C[NH2+]C(C)(C)C ZINC001246004354 825619868 /nfs/dbraw/zinc/61/98/68/825619868.db2.gz BYDLUMNDQYFSBW-VHSXEESVSA-N 2 2 261.366 -0.785 20 0 CBADLP Cc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2C[NH2+]CCN2)cc1 ZINC001246015070 825620311 /nfs/dbraw/zinc/62/03/11/825620311.db2.gz OIXCGLOHJMQPEB-UONOGXRCSA-N 2 2 279.384 -0.114 20 0 CBADLP O[C@@H](C[N@@H+]1CCC[NH2+]CC1)CC1(O)CC[NH2+]CC1 ZINC001246015259 825620830 /nfs/dbraw/zinc/62/08/30/825620830.db2.gz VAROPFPTSJMTDR-GFCCVEGCSA-N 3 2 257.378 -0.853 20 0 CBADLP O[C@@H](C[N@H+]1CCC[NH2+]CC1)CC1(O)CC[NH2+]CC1 ZINC001246015259 825620832 /nfs/dbraw/zinc/62/08/32/825620832.db2.gz VAROPFPTSJMTDR-GFCCVEGCSA-N 3 2 257.378 -0.853 20 0 CBADLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1C[C@@H](O)CC1(O)CC[NH2+]CC1 ZINC001246016507 825620993 /nfs/dbraw/zinc/62/09/93/825620993.db2.gz LUGOZKAFUXIKSN-AVGNSLFASA-N 3 2 271.405 -0.337 20 0 CBADLP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1C[C@@H](O)CC1(O)CC[NH2+]CC1 ZINC001246016507 825620994 /nfs/dbraw/zinc/62/09/94/825620994.db2.gz LUGOZKAFUXIKSN-AVGNSLFASA-N 3 2 271.405 -0.337 20 0 CBADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](C[C@H](O)CC2(O)CC[NH2+]CC2)C1 ZINC001246026581 825625444 /nfs/dbraw/zinc/62/54/44/825625444.db2.gz WGHIUPKLJXDBMO-MGPQQGTHSA-N 3 2 285.432 -0.089 20 0 CBADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](C[C@H](O)CC2(O)CC[NH2+]CC2)C1 ZINC001246026581 825625448 /nfs/dbraw/zinc/62/54/48/825625448.db2.gz WGHIUPKLJXDBMO-MGPQQGTHSA-N 3 2 285.432 -0.089 20 0 CBADLP O[C@@H](CN1CCCC[C@@]12CC[NH2+]C2)C[NH+]1CCOCC1 ZINC001246031149 825627336 /nfs/dbraw/zinc/62/73/36/825627336.db2.gz JGFKXIWSHIPJLB-CABCVRRESA-N 2 2 283.416 -0.103 20 0 CBADLP [NH3+][C@]12CC[C@H]1CN(C[C@@H](O)C[NH+]1CCOCC1)C2 ZINC001246046860 825628980 /nfs/dbraw/zinc/62/89/80/825628980.db2.gz POVHDQZOXRZGNY-AVGNSLFASA-N 2 2 255.362 -0.897 20 0 CBADLP O[C@@H](CN1CCOCC1)C[N@@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001246034515 825629290 /nfs/dbraw/zinc/62/92/90/825629290.db2.gz XGKAYKPLBXGTHK-LSDHHAIUSA-N 2 2 283.416 -0.103 20 0 CBADLP O[C@@H](CN1CCOCC1)C[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001246034515 825629293 /nfs/dbraw/zinc/62/92/93/825629293.db2.gz XGKAYKPLBXGTHK-LSDHHAIUSA-N 2 2 283.416 -0.103 20 0 CBADLP COC(=O)[C@@H]1C[C@H](N[C@]2(C(F)(F)F)CC[NH2+]C2)C[NH2+]1 ZINC001246079787 825633599 /nfs/dbraw/zinc/63/35/99/825633599.db2.gz FDWKTNOFWGYFCM-OYNCUSHFSA-N 2 2 281.278 -0.226 20 0 CBADLP O=C1C[C@H]([NH2+]C[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CCN1 ZINC001246125121 825637205 /nfs/dbraw/zinc/63/72/05/825637205.db2.gz JHRGKCKBZZNNAN-VXGBXAGGSA-N 3 2 266.389 -0.271 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](NCc2noc3c2C[NH2+]CC3)C[NH2+]1 ZINC001246136681 825639350 /nfs/dbraw/zinc/63/93/50/825639350.db2.gz VSWDMISUZBYIJN-SCZZXKLOSA-N 2 2 280.328 -0.687 20 0 CBADLP COC(=O)[C@H](CCCC[NH3+])[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246151644 825642050 /nfs/dbraw/zinc/64/20/50/825642050.db2.gz KIXVWGXBWGQXOP-RYUDHWBXSA-N 3 2 284.404 -0.659 20 0 CBADLP COC(=O)[C@H](CCCC[NH3+])N[C@H]1C[NH2+][C@@H](C(=O)OC)C1 ZINC001246150797 825642402 /nfs/dbraw/zinc/64/24/02/825642402.db2.gz IKDMLDGJLMUHKQ-OUAUKWLOSA-N 2 2 287.360 -0.850 20 0 CBADLP COC(=O)[C@H](CCCC[NH3+])N[C@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001246150798 825642523 /nfs/dbraw/zinc/64/25/23/825642523.db2.gz IKDMLDGJLMUHKQ-VWYCJHECSA-N 2 2 287.360 -0.850 20 0 CBADLP C[C@H]1C[C@@H]([NH2+]CCC[NH+](CCO)CCO)CC[NH2+]1 ZINC001246163148 825644609 /nfs/dbraw/zinc/64/46/09/825644609.db2.gz WJBWGWNZIYWCTP-STQMWFEESA-N 3 2 259.394 -0.607 20 0 CBADLP COC(=O)[C@H](CCSC)[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246205803 825650023 /nfs/dbraw/zinc/65/00/23/825650023.db2.gz VTVSJOHSGQNUAQ-QWRGUYRKSA-N 2 2 287.429 -0.035 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](N(CC[NH3+])c2cccnc2)C[NH2+]1 ZINC001246240302 825655703 /nfs/dbraw/zinc/65/57/03/825655703.db2.gz ULKANWCJTDWPKL-NEPJUHHUSA-N 2 2 264.329 -0.250 20 0 CBADLP COC(=O)[C@@H]1C[C@@H]([NH2+]CCC[N@H+](C)CCC[NH3+])CN1 ZINC001246285760 825659613 /nfs/dbraw/zinc/65/96/13/825659613.db2.gz VWEIVSINWRAPRM-NEPJUHHUSA-N 3 2 272.393 -0.850 20 0 CBADLP COC(=O)[C@@H]1C[C@@H]([NH2+]CCC[N@@H+](C)CCC[NH3+])CN1 ZINC001246285760 825659619 /nfs/dbraw/zinc/65/96/19/825659619.db2.gz VWEIVSINWRAPRM-NEPJUHHUSA-N 3 2 272.393 -0.850 20 0 CBADLP CCOC(=O)C1(N[C@H]2C[NH2+][C@](CC)(C(=O)OC)C2)C[NH2+]C1 ZINC001246344996 825667285 /nfs/dbraw/zinc/66/72/85/825667285.db2.gz LSYSVVSQYAYMGX-MFKMUULPSA-N 2 2 299.371 -0.835 20 0 CBADLP C1[NH2+]CC12C[C@H]([NH2+][C@H]1CC[N@@H+](C3CCOCC3)C1)CCN2 ZINC001246362255 825668796 /nfs/dbraw/zinc/66/87/96/825668796.db2.gz OKKVHTWNPCSFGV-KGLIPLIRSA-N 3 2 294.443 -0.077 20 0 CBADLP C1[NH2+]CC12C[C@H]([NH2+][C@H]1CC[N@H+](C3CCOCC3)C1)CCN2 ZINC001246362255 825668800 /nfs/dbraw/zinc/66/88/00/825668800.db2.gz OKKVHTWNPCSFGV-KGLIPLIRSA-N 3 2 294.443 -0.077 20 0 CBADLP COCC[NH+]1CCC([NH2+][C@H]2CN[C@H](C(=O)OC)C2)CC1 ZINC001246358120 825669495 /nfs/dbraw/zinc/66/94/95/825669495.db2.gz CYBLGSUQKJBGCY-OLZOCXBDSA-N 2 2 285.388 -0.410 20 0 CBADLP COC(=O)CC1(N[C@@H]2C[NH2+][C@H](C(=O)OC)C2)CC[NH2+]CC1 ZINC001246366041 825669502 /nfs/dbraw/zinc/66/95/02/825669502.db2.gz PMRFOYCWABZSMM-QWRGUYRKSA-N 2 2 299.371 -0.835 20 0 CBADLP COC(=O)CC1([NH2+][C@@H]2CN[C@H](C(=O)OC)C2)CC[NH2+]CC1 ZINC001246366041 825669505 /nfs/dbraw/zinc/66/95/05/825669505.db2.gz PMRFOYCWABZSMM-QWRGUYRKSA-N 2 2 299.371 -0.835 20 0 CBADLP CC[C@@]1(C(=O)OC)C[C@H]([NH2+]CCC[NH2+]CCC[NH3+])CN1 ZINC001246453415 825673563 /nfs/dbraw/zinc/67/35/63/825673563.db2.gz NULWZIAUAZFPEZ-JSGCOSHPSA-N 3 2 286.420 -0.412 20 0 CBADLP C[NH+]1CCC(CO)([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246513984 825678252 /nfs/dbraw/zinc/67/82/52/825678252.db2.gz ZGLOLCQKTDLFOI-LBPRGKRZSA-N 3 2 268.405 -0.873 20 0 CBADLP CNC(=O)[C@H](CCCC[NH3+])[NH2+]C1CC[NH+](C)CC1 ZINC001246513628 825678304 /nfs/dbraw/zinc/67/83/04/825678304.db2.gz UARBPRUUBXKEHQ-LBPRGKRZSA-N 3 2 256.394 -0.086 20 0 CBADLP C[NH+]1CCC(CO)([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246513983 825678375 /nfs/dbraw/zinc/67/83/75/825678375.db2.gz ZGLOLCQKTDLFOI-GFCCVEGCSA-N 3 2 268.405 -0.873 20 0 CBADLP CCOC(=O)[C@@H]1C[C@@H]([N@@H+]2CCC[NH2+]CC2)CCN1 ZINC001246524496 825680015 /nfs/dbraw/zinc/68/00/15/825680015.db2.gz LQFFCGAEFASQIY-RYUDHWBXSA-N 2 2 255.362 -0.035 20 0 CBADLP CCOC(=O)[C@@H]1C[C@@H]([N@H+]2CCC[NH2+]CC2)CCN1 ZINC001246524496 825680019 /nfs/dbraw/zinc/68/00/19/825680019.db2.gz LQFFCGAEFASQIY-RYUDHWBXSA-N 2 2 255.362 -0.035 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](N2CC[NH+]([C@@H]3CCOC3)CC2)C[NH2+]1 ZINC001246536261 825680923 /nfs/dbraw/zinc/68/09/23/825680923.db2.gz DRMXHDZFEJXRSH-UPJWGTAASA-N 2 2 283.372 -0.704 20 0 CBADLP COC(=O)[C@H]([NH3+])Cc1cn(C2CC[NH2+]CC2)cn1 ZINC001246527441 825681405 /nfs/dbraw/zinc/68/14/05/825681405.db2.gz XZTPALWMVXCSSW-LLVKDONJSA-N 2 2 252.318 -0.150 20 0 CBADLP [NH3+]C[C@]1(O)CCCC[N@@H+]([C@H]2CCS(=O)(=O)C2)C1 ZINC001246559032 825686316 /nfs/dbraw/zinc/68/63/16/825686316.db2.gz NADSXQLPGGSIOW-WDEREUQCSA-N 2 2 262.375 -0.651 20 0 CBADLP [NH3+]C[C@]1(O)CCCC[N@H+]([C@H]2CCS(=O)(=O)C2)C1 ZINC001246559032 825686318 /nfs/dbraw/zinc/68/63/18/825686318.db2.gz NADSXQLPGGSIOW-WDEREUQCSA-N 2 2 262.375 -0.651 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](N2CCC(F)(F)[C@H]([NH3+])C2)C[NH2+]1 ZINC001246579720 825691306 /nfs/dbraw/zinc/69/13/06/825691306.db2.gz DCKPQZJAYNWCLF-HRDYMLBCSA-N 2 2 263.288 -0.442 20 0 CBADLP C[C@@H]1C[C@@H]([N@@H+]2CC3(C[NH2+]C3)[C@@]3(CCNC3=O)C2)CC[NH2+]1 ZINC001246623130 825696900 /nfs/dbraw/zinc/69/69/00/825696900.db2.gz BEEFLXBDUYESSU-XUJVJEKNSA-N 3 2 278.400 -0.462 20 0 CBADLP C[C@@H]1C[C@@H]([N@H+]2CC3(C[NH2+]C3)[C@@]3(CCNC3=O)C2)CC[NH2+]1 ZINC001246623130 825696903 /nfs/dbraw/zinc/69/69/03/825696903.db2.gz BEEFLXBDUYESSU-XUJVJEKNSA-N 3 2 278.400 -0.462 20 0 CBADLP COC(=O)[C@@H]1CC[C@@H]([N@@H+]2CCC3(C[NH2+]C3)C2)CN1 ZINC001246628856 825698500 /nfs/dbraw/zinc/69/85/00/825698500.db2.gz DVHLCMAQFRMPSH-MNOVXSKESA-N 2 2 253.346 -0.425 20 0 CBADLP COC(=O)[C@@H]1CC[C@@H]([N@H+]2CCC3(C[NH2+]C3)C2)CN1 ZINC001246628856 825698503 /nfs/dbraw/zinc/69/85/03/825698503.db2.gz DVHLCMAQFRMPSH-MNOVXSKESA-N 2 2 253.346 -0.425 20 0 CBADLP CCOC(=O)N1CC[C@@H]([N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)C1 ZINC001246638754 825700783 /nfs/dbraw/zinc/70/07/83/825700783.db2.gz CXMXBSSIFDVMKM-OCCSQVGLSA-N 2 2 282.388 -0.146 20 0 CBADLP CCOC(=O)N1CC[C@@H]([N@H+]2CCN[C@]3(CC[NH2+]C3)C2)C1 ZINC001246638754 825700786 /nfs/dbraw/zinc/70/07/86/825700786.db2.gz CXMXBSSIFDVMKM-OCCSQVGLSA-N 2 2 282.388 -0.146 20 0 CBADLP COC(=O)[C@@H]1C[C@H](N2CC[N@@H+]3CCC[C@H]3C2)C[NH2+]1 ZINC001246774853 825710856 /nfs/dbraw/zinc/71/08/56/825710856.db2.gz GXAXECDSPOXVEA-SRVKXCTJSA-N 2 2 253.346 -0.330 20 0 CBADLP COC(=O)[C@@H]1C[C@H](N2CC[N@H+]3CCC[C@H]3C2)C[NH2+]1 ZINC001246774853 825710857 /nfs/dbraw/zinc/71/08/57/825710857.db2.gz GXAXECDSPOXVEA-SRVKXCTJSA-N 2 2 253.346 -0.330 20 0 CBADLP COC(=O)CN1CC[NH+]([C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC001246802153 825712942 /nfs/dbraw/zinc/71/29/42/825712942.db2.gz IRXOGLLGWHVLKC-NEPJUHHUSA-N 2 2 255.362 -0.083 20 0 CBADLP O[C@H]1CC[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC1(F)F ZINC001246826015 825717659 /nfs/dbraw/zinc/71/76/59/825717659.db2.gz ZQRHJJBGCXVKSH-ZJUUUORDSA-N 2 2 261.316 -0.218 20 0 CBADLP O[C@H]1CC[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC1(F)F ZINC001246826015 825717663 /nfs/dbraw/zinc/71/76/63/825717663.db2.gz ZQRHJJBGCXVKSH-ZJUUUORDSA-N 2 2 261.316 -0.218 20 0 CBADLP COC(=O)[C@@H]1C[C@H](N2CCC[C@@H]3C[N@H+](C)C[C@@H]32)C[NH2+]1 ZINC001246830472 825718971 /nfs/dbraw/zinc/71/89/71/825718971.db2.gz HRXFOXLMAXMUFW-VOAKCMCISA-N 2 2 267.373 -0.084 20 0 CBADLP COC(=O)[C@@H]1C[C@H](N2CCC[C@@H]3C[N@@H+](C)C[C@@H]32)C[NH2+]1 ZINC001246830472 825718973 /nfs/dbraw/zinc/71/89/73/825718973.db2.gz HRXFOXLMAXMUFW-VOAKCMCISA-N 2 2 267.373 -0.084 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](N2CCC3(C[NH+](C)C3)CC2)C[NH2+]1 ZINC001246874790 825727241 /nfs/dbraw/zinc/72/72/41/825727241.db2.gz LANDFZSMWXYGIG-NEPJUHHUSA-N 2 2 267.373 -0.083 20 0 CBADLP COC(=O)[C@@H]1C[C@H](N2C[C@@H]3CCC[N@H+](C)[C@@H]3C2)C[NH2+]1 ZINC001246914972 825731277 /nfs/dbraw/zinc/73/12/77/825731277.db2.gz JRVSEBBODRDGBX-ZDEQEGDKSA-N 2 2 267.373 -0.084 20 0 CBADLP COC(=O)[C@@H]1C[C@H](N2C[C@@H]3CCC[N@@H+](C)[C@@H]3C2)C[NH2+]1 ZINC001246914972 825731282 /nfs/dbraw/zinc/73/12/82/825731282.db2.gz JRVSEBBODRDGBX-ZDEQEGDKSA-N 2 2 267.373 -0.084 20 0 CBADLP COC(=O)[C@H]([NH3+])[C@@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC001246920827 825731897 /nfs/dbraw/zinc/73/18/97/825731897.db2.gz JYWCWGAXHUWITI-ZYHUDNBSSA-N 2 2 255.362 -0.049 20 0 CBADLP COC(=O)[C@@H]1C[N@@H+]([C@@H]2CCC3(C[NH2+]C3)C2)C[C@@H]1[NH3+] ZINC001246929431 825733083 /nfs/dbraw/zinc/73/30/83/825733083.db2.gz CYDLIQQXFJBKEP-MXWKQRLJSA-N 3 2 253.346 -0.439 20 0 CBADLP COC(=O)[C@@H]1C[N@H+]([C@@H]2CCC3(C[NH2+]C3)C2)C[C@@H]1[NH3+] ZINC001246929431 825733085 /nfs/dbraw/zinc/73/30/85/825733085.db2.gz CYDLIQQXFJBKEP-MXWKQRLJSA-N 3 2 253.346 -0.439 20 0 CBADLP COC(=O)[C@@H]1C[N@@H+]([C@H]2C[C@H]3C[NH2+]C[C@H]3C2)C[C@H]1[NH3+] ZINC001246931343 825734882 /nfs/dbraw/zinc/73/48/82/825734882.db2.gz NVEAAGAXAUVHRS-IYKVGLELSA-N 3 2 253.346 -0.584 20 0 CBADLP COC(=O)[C@@H]1C[N@H+]([C@H]2C[C@H]3C[NH2+]C[C@H]3C2)C[C@H]1[NH3+] ZINC001246931343 825734886 /nfs/dbraw/zinc/73/48/86/825734886.db2.gz NVEAAGAXAUVHRS-IYKVGLELSA-N 3 2 253.346 -0.584 20 0 CBADLP C[NH+](C)CCNC(=S)NC[C@H]1C[N@H+](C)CCO1 ZINC001249843880 825749814 /nfs/dbraw/zinc/74/98/14/825749814.db2.gz YYLJFKPSPSTSCM-JTQLQIEISA-N 2 2 260.407 -0.657 20 0 CBADLP C[NH+](C)CCNC(=S)NC[C@H]1C[N@@H+](C)CCO1 ZINC001249843880 825749819 /nfs/dbraw/zinc/74/98/19/825749819.db2.gz YYLJFKPSPSTSCM-JTQLQIEISA-N 2 2 260.407 -0.657 20 0 CBADLP C[C@H](O)C[N@@H+]1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001251960439 825809314 /nfs/dbraw/zinc/80/93/14/825809314.db2.gz NDARSLFITWBVCM-JTQLQIEISA-N 2 2 296.371 -0.295 20 0 CBADLP C[C@H](O)C[N@H+]1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001251960439 825809325 /nfs/dbraw/zinc/80/93/25/825809325.db2.gz NDARSLFITWBVCM-JTQLQIEISA-N 2 2 296.371 -0.295 20 0 CBADLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](C[C@H](O)CO)C[C@H]3C2)cn1 ZINC001252059457 825820158 /nfs/dbraw/zinc/82/01/58/825820158.db2.gz XBXANEVHDDHPGC-KFWWJZLASA-N 2 2 294.399 -0.473 20 0 CBADLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](C[C@H](O)CO)C[C@H]3C2)cn1 ZINC001252059457 825820165 /nfs/dbraw/zinc/82/01/65/825820165.db2.gz XBXANEVHDDHPGC-KFWWJZLASA-N 2 2 294.399 -0.473 20 0 CBADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](C[C@H](O)CO)C[C@H]3C2)cn1 ZINC001252059457 825820172 /nfs/dbraw/zinc/82/01/72/825820172.db2.gz XBXANEVHDDHPGC-KFWWJZLASA-N 2 2 294.399 -0.473 20 0 CBADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](C[C@H](O)CO)C[C@H]3C2)cn1 ZINC001252059457 825820178 /nfs/dbraw/zinc/82/01/78/825820178.db2.gz XBXANEVHDDHPGC-KFWWJZLASA-N 2 2 294.399 -0.473 20 0 CBADLP COC(=O)[C@@H](O)C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC001252428554 825854886 /nfs/dbraw/zinc/85/48/86/825854886.db2.gz RVEVNBKGNUQWIG-ZDUSSCGKSA-N 2 2 285.388 -0.766 20 0 CBADLP CCCCOC[C@H](O)CNC(=[NH2+])N1CC[NH+](C)CC1 ZINC001252531428 825875389 /nfs/dbraw/zinc/87/53/89/825875389.db2.gz YVPSZSUURXNZGM-GFCCVEGCSA-N 2 2 272.393 -0.064 20 0 CBADLP CC[N@@H+]1CCO[C@@H]2C[NH+](C[C@H](O)COC)C[C@@H]2C1 ZINC001252818711 825889817 /nfs/dbraw/zinc/88/98/17/825889817.db2.gz ZVUJTHFHFCFNFL-RWMBFGLXSA-N 2 2 258.362 -0.354 20 0 CBADLP CC[N@H+]1CCO[C@@H]2C[NH+](C[C@H](O)COC)C[C@@H]2C1 ZINC001252818711 825889819 /nfs/dbraw/zinc/88/98/19/825889819.db2.gz ZVUJTHFHFCFNFL-RWMBFGLXSA-N 2 2 258.362 -0.354 20 0 CBADLP CC[NH+]1CCO[C@@H]2C[N@H+](C[C@H](O)COC)C[C@@H]2C1 ZINC001252818711 825889820 /nfs/dbraw/zinc/88/98/20/825889820.db2.gz ZVUJTHFHFCFNFL-RWMBFGLXSA-N 2 2 258.362 -0.354 20 0 CBADLP CC[NH+]1CCO[C@@H]2C[N@@H+](C[C@H](O)COC)C[C@@H]2C1 ZINC001252818711 825889822 /nfs/dbraw/zinc/88/98/22/825889822.db2.gz ZVUJTHFHFCFNFL-RWMBFGLXSA-N 2 2 258.362 -0.354 20 0 CBADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1CC[C@H](O)[C@](C)(CO)C1 ZINC001253180394 825902077 /nfs/dbraw/zinc/90/20/77/825902077.db2.gz BRCBUFBKNNCSSR-IHRRRGAJSA-N 2 2 274.405 -0.246 20 0 CBADLP CC[NH+](CC)C[C@H](O)C[N@H+]1CC[C@H](O)[C@](C)(CO)C1 ZINC001253180394 825902085 /nfs/dbraw/zinc/90/20/85/825902085.db2.gz BRCBUFBKNNCSSR-IHRRRGAJSA-N 2 2 274.405 -0.246 20 0 CBADLP CC[NH+](CC)C[C@H](O)C[NH+]1CCC2(CC1)COCC(=O)N2 ZINC001253182907 825903015 /nfs/dbraw/zinc/90/30/15/825903015.db2.gz VAAXBROHRHCQLF-ZDUSSCGKSA-N 2 2 299.415 -0.330 20 0 CBADLP CC[NH+](CC)C[C@@H](O)C[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC001253194669 825904001 /nfs/dbraw/zinc/90/40/01/825904001.db2.gz MTMIYBGMEUJFIS-LLVKDONJSA-N 2 2 298.387 -0.637 20 0 CBADLP CC[NH+](CC)C[C@H](O)C[NH2+][C@]12C[C@H]1CN(C(C)=O)C2 ZINC001253202891 825904346 /nfs/dbraw/zinc/90/43/46/825904346.db2.gz BHJXWPIYLHKGII-MJBXVCDLSA-N 2 2 269.389 -0.101 20 0 CBADLP CC[NH+](CC)C[C@H](O)C[NH2+][C@@H](CCSC)C(N)=O ZINC001253214983 825907330 /nfs/dbraw/zinc/90/73/30/825907330.db2.gz UQUPYPNPBQNEQO-MNOVXSKESA-N 2 2 277.434 -0.114 20 0 CBADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CC[C@@H](O)[C@H](CO)C1 ZINC001253389606 825910570 /nfs/dbraw/zinc/91/05/70/825910570.db2.gz FXLZKGDJXGUWCT-QJPTWQEYSA-N 2 2 260.378 -0.590 20 0 CBADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CC[C@@H](O)[C@H](CO)C1 ZINC001253389606 825910574 /nfs/dbraw/zinc/91/05/74/825910574.db2.gz FXLZKGDJXGUWCT-QJPTWQEYSA-N 2 2 260.378 -0.590 20 0 CBADLP CC(=O)N[C@H]1CC[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)C1 ZINC001253395178 825912834 /nfs/dbraw/zinc/91/28/34/825912834.db2.gz APPOQEDTLCUULZ-NWDGAFQWSA-N 2 2 257.378 -0.054 20 0 CBADLP CC(=O)N[C@H]1CC[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)C1 ZINC001253395178 825912829 /nfs/dbraw/zinc/91/28/29/825912829.db2.gz APPOQEDTLCUULZ-NWDGAFQWSA-N 2 2 257.378 -0.054 20 0 CBADLP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]CCN1CCC[C@H](O)C1 ZINC001253407156 825913373 /nfs/dbraw/zinc/91/33/73/825913373.db2.gz FKOFTZWZOCPCEM-STQMWFEESA-N 2 2 273.421 -0.218 20 0 CBADLP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]CC(=O)NC1CCC1 ZINC001253408270 825913473 /nfs/dbraw/zinc/91/34/73/825913473.db2.gz ASIUXYBVFVVWTF-NSHDSACASA-N 2 2 257.378 -0.006 20 0 CBADLP C[N@@H+]1CCC[C@@H]([NH+]2CCN(CC(N)=O)CC2)CC1 ZINC001254526447 825965253 /nfs/dbraw/zinc/96/52/53/825965253.db2.gz RRUJIGAFIMLYOE-GFCCVEGCSA-N 2 2 254.378 -0.426 20 0 CBADLP C[N@H+]1CCC[C@@H]([NH+]2CCN(CC(N)=O)CC2)CC1 ZINC001254526447 825965261 /nfs/dbraw/zinc/96/52/61/825965261.db2.gz RRUJIGAFIMLYOE-GFCCVEGCSA-N 2 2 254.378 -0.426 20 0 CBADLP O=C1C[C@H](C[NH2+][C@@H]2CC3CC[NH+](CC3)C2)C(=O)N1 ZINC001254843571 825969403 /nfs/dbraw/zinc/96/94/03/825969403.db2.gz JAYMSWXRKORSGS-GHMZBOCLSA-N 2 2 251.330 -0.277 20 0 CBADLP O=C1C[C@@H](C[NH2+][C@@H]2CC3CC[NH+](CC3)C2)C(=O)N1 ZINC001254843590 825969680 /nfs/dbraw/zinc/96/96/80/825969680.db2.gz JAYMSWXRKORSGS-WDEREUQCSA-N 2 2 251.330 -0.277 20 0 CBADLP COC(=O)[C@H]([NH3+])Cc1cn([C@@H]2CC[N@H+](C)C2)cn1 ZINC001255425310 825982883 /nfs/dbraw/zinc/98/28/83/825982883.db2.gz CXRKYCHLWAZZHC-GHMZBOCLSA-N 2 2 252.318 -0.198 20 0 CBADLP COC(=O)[C@H]([NH3+])Cc1cn([C@@H]2CC[N@@H+](C)C2)cn1 ZINC001255425310 825982890 /nfs/dbraw/zinc/98/28/90/825982890.db2.gz CXRKYCHLWAZZHC-GHMZBOCLSA-N 2 2 252.318 -0.198 20 0 CBADLP C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]C[C@H](O)C[NH3+] ZINC001255796935 825993347 /nfs/dbraw/zinc/99/33/47/825993347.db2.gz JKGGWAANWWJMRD-GHMZBOCLSA-N 2 2 272.370 -0.242 20 0 CBADLP C[C@H](CC(=O)N1CCOCC1)[N@@H+]1CCO[C@H](C[NH3+])C1 ZINC001256321375 826009844 /nfs/dbraw/zinc/00/98/44/826009844.db2.gz JTTFANUEYXFCGV-VXGBXAGGSA-N 2 2 271.361 -0.717 20 0 CBADLP C[C@H](CC(=O)N1CCOCC1)[N@H+]1CCO[C@H](C[NH3+])C1 ZINC001256321375 826009855 /nfs/dbraw/zinc/00/98/55/826009855.db2.gz JTTFANUEYXFCGV-VXGBXAGGSA-N 2 2 271.361 -0.717 20 0 CBADLP C[C@H](CC(=O)N1CCOCC1)[NH2+]CC1C[NH+](C)C1 ZINC001256326533 826011655 /nfs/dbraw/zinc/01/16/55/826011655.db2.gz PUPGRKRRAZHKJF-LLVKDONJSA-N 2 2 255.362 -0.225 20 0 CBADLP [NH3+]CC1([NH2+]C2CCC([NH+]3CCOCC3)CC2)COC1 ZINC001256679948 826030661 /nfs/dbraw/zinc/03/06/61/826030661.db2.gz WLFAJYUHHOMLLA-UHFFFAOYSA-N 3 2 269.389 -0.053 20 0 CBADLP COC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H]2C[C@H]2[NH3+])C[C@H]1C(=O)OC ZINC001257723986 826052006 /nfs/dbraw/zinc/05/20/06/826052006.db2.gz KPMVHDITWIWMKH-ISUQUUIWSA-N 2 2 270.329 -0.194 20 0 CBADLP COC(=O)CCS(=O)(=O)CC[C@@H](C)[NH2+]C1(C[NH3+])CC1 ZINC001257927686 826054824 /nfs/dbraw/zinc/05/48/24/826054824.db2.gz SSHPQCOVWOSTSH-SNVBAGLBSA-N 2 2 292.401 -0.176 20 0 CBADLP CC(C)C[NH+]1CCC([NH2+][C@@H](C)C(=O)NCC(N)=O)CC1 ZINC001258007638 826055347 /nfs/dbraw/zinc/05/53/47/826055347.db2.gz KSUFTZJNIHVKNH-NSHDSACASA-N 2 2 284.404 -0.314 20 0 CBADLP NC(=O)C[N@@H+]1CCC[C@H](NC(=O)CC2([NH3+])CCC2)C1 ZINC001261501684 826527470 /nfs/dbraw/zinc/52/74/70/826527470.db2.gz JXJJSMJPTULPPR-JTQLQIEISA-N 2 2 268.361 -0.676 20 0 CBADLP NC(=O)C[N@H+]1CCC[C@H](NC(=O)CC2([NH3+])CCC2)C1 ZINC001261501684 826527473 /nfs/dbraw/zinc/52/74/73/826527473.db2.gz JXJJSMJPTULPPR-JTQLQIEISA-N 2 2 268.361 -0.676 20 0 CBADLP C[C@H]([NH3+])CCNC(=O)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC001262034896 826626918 /nfs/dbraw/zinc/62/69/18/826626918.db2.gz RRQXLGBXLSJPEM-JTQLQIEISA-N 2 2 293.371 -0.031 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1C[C@H]([NH3+])[C@H]2C[C@H]21 ZINC001263099650 826736352 /nfs/dbraw/zinc/73/63/52/826736352.db2.gz QKZBWSMNXFKISA-LBELIVKGSA-N 2 2 267.373 -0.193 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1C[C@H]([NH3+])[C@H]2C[C@H]21 ZINC001263099650 826736357 /nfs/dbraw/zinc/73/63/57/826736357.db2.gz QKZBWSMNXFKISA-LBELIVKGSA-N 2 2 267.373 -0.193 20 0 CBADLP CN1CC[N@H+](C)[C@@H](CNC(=O)CCSCCC[NH3+])C1 ZINC001263103878 826738604 /nfs/dbraw/zinc/73/86/04/826738604.db2.gz PIEPROKFBORMTL-LBPRGKRZSA-N 2 2 288.461 -0.180 20 0 CBADLP CN1CC[N@@H+](C)[C@@H](CNC(=O)CCSCCC[NH3+])C1 ZINC001263103878 826738610 /nfs/dbraw/zinc/73/86/10/826738610.db2.gz PIEPROKFBORMTL-LBPRGKRZSA-N 2 2 288.461 -0.180 20 0 CBADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H](C[NH3+])OC ZINC001263199216 826752536 /nfs/dbraw/zinc/75/25/36/826752536.db2.gz ZXEJOHUXRBRAPR-QWRGUYRKSA-N 2 2 259.350 -0.813 20 0 CBADLP Cc1nc[nH]c1C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001263192064 826752856 /nfs/dbraw/zinc/75/28/56/826752856.db2.gz MFXZTTKZNVJSBK-UHFFFAOYSA-N 2 2 251.334 -0.129 20 0 CBADLP C[C@@H](NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)[C@H]1CN(C)CC[N@@H+]1C ZINC001263305682 826762790 /nfs/dbraw/zinc/76/27/90/826762790.db2.gz DJAFQULWRFMZBP-LBELIVKGSA-N 2 2 266.389 -0.798 20 0 CBADLP C[C@@H](NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)[C@H]1CN(C)CC[N@H+]1C ZINC001263305682 826762797 /nfs/dbraw/zinc/76/27/97/826762797.db2.gz DJAFQULWRFMZBP-LBELIVKGSA-N 2 2 266.389 -0.798 20 0 CBADLP C[C@H](O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)Cn1cc[nH+]c1 ZINC001264382394 826804726 /nfs/dbraw/zinc/80/47/26/826804726.db2.gz JPJJFHLWBOUIDR-NWDGAFQWSA-N 2 2 266.345 -0.203 20 0 CBADLP C[C@H](O)C[N@H+]1CC[C@@H]1CN(C)C(=O)Cn1cc[nH+]c1 ZINC001264382394 826804736 /nfs/dbraw/zinc/80/47/36/826804736.db2.gz JPJJFHLWBOUIDR-NWDGAFQWSA-N 2 2 266.345 -0.203 20 0 CBADLP C[C@@H](C(N)=O)[N@H+](C)CCCNC(=O)CCn1cc[nH+]c1 ZINC001265018476 826835052 /nfs/dbraw/zinc/83/50/52/826835052.db2.gz SHMZETLCAOBQLD-NSHDSACASA-N 2 2 281.360 -0.415 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+](C)CCCNC(=O)CCn1cc[nH+]c1 ZINC001265018476 826835061 /nfs/dbraw/zinc/83/50/61/826835061.db2.gz SHMZETLCAOBQLD-NSHDSACASA-N 2 2 281.360 -0.415 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NCCC[N@@H+](C)CC(=O)N(C)C ZINC001265890541 826933056 /nfs/dbraw/zinc/93/30/56/826933056.db2.gz TYDCUPWYCDRMRC-UHFFFAOYSA-N 2 2 295.387 -0.282 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NCCC[N@H+](C)CC(=O)N(C)C ZINC001265890541 826933061 /nfs/dbraw/zinc/93/30/61/826933061.db2.gz TYDCUPWYCDRMRC-UHFFFAOYSA-N 2 2 295.387 -0.282 20 0 CBADLP C[C@H](O)C[N@@H+]1CCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001266498515 827008200 /nfs/dbraw/zinc/00/82/00/827008200.db2.gz XIYLQQAJVNRHOZ-RYUDHWBXSA-N 2 2 266.345 -0.156 20 0 CBADLP C[C@H](O)C[N@H+]1CCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001266498515 827008210 /nfs/dbraw/zinc/00/82/10/827008210.db2.gz XIYLQQAJVNRHOZ-RYUDHWBXSA-N 2 2 266.345 -0.156 20 0 CBADLP CN(CC[NH2+]Cc1nnnn1C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001266743107 827060685 /nfs/dbraw/zinc/06/06/85/827060685.db2.gz DWSIRXHPGCOZEY-LLVKDONJSA-N 2 2 295.391 -0.758 20 0 CBADLP CN(CC[NH2+]Cc1nnnn1C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001266743107 827060696 /nfs/dbraw/zinc/06/06/96/827060696.db2.gz DWSIRXHPGCOZEY-LLVKDONJSA-N 2 2 295.391 -0.758 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N(C)CC[NH2+]Cc1nncn1C ZINC001266774942 827064035 /nfs/dbraw/zinc/06/40/35/827064035.db2.gz PLRNOIRDQQMQKM-UHFFFAOYSA-N 2 2 291.359 -0.432 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@H](C[NH2+]CCO)C1 ZINC001266810644 827071260 /nfs/dbraw/zinc/07/12/60/827071260.db2.gz CZXZXONDYHPXRV-LLVKDONJSA-N 2 2 266.345 -0.227 20 0 CBADLP CN(CC[NH2+]CCn1cccn1)C(=O)Cc1c[nH+]c[nH]1 ZINC001266847118 827074168 /nfs/dbraw/zinc/07/41/68/827074168.db2.gz VGXZYSXPLKJTJF-UHFFFAOYSA-N 2 2 276.344 -0.103 20 0 CBADLP CCNC(=O)C[NH2+]CCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001266911612 827080346 /nfs/dbraw/zinc/08/03/46/827080346.db2.gz QHQNNNDEOLJIQL-UHFFFAOYSA-N 2 2 267.333 -0.864 20 0 CBADLP C[C@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)[NH2+]CCCO ZINC001266950908 827095576 /nfs/dbraw/zinc/09/55/76/827095576.db2.gz XRYXWHKOOICGCZ-NEPJUHHUSA-N 2 2 280.372 -0.078 20 0 CBADLP COCCC[NH2+]CCN(C)C(=O)Cn1cc[nH+]c1 ZINC001267143605 827118159 /nfs/dbraw/zinc/11/81/59/827118159.db2.gz LMBGSMUDCPCMPY-UHFFFAOYSA-N 2 2 254.334 -0.032 20 0 CBADLP CC[N@H+](CCNC(=O)Cc1c[nH+]cn1C)C[C@@H](C)O ZINC001267255590 827138188 /nfs/dbraw/zinc/13/81/88/827138188.db2.gz MHIACNWHWGSWFD-LLVKDONJSA-N 2 2 268.361 -0.219 20 0 CBADLP CC[N@@H+](CCNC(=O)Cc1c[nH+]cn1C)C[C@@H](C)O ZINC001267255590 827138192 /nfs/dbraw/zinc/13/81/92/827138192.db2.gz MHIACNWHWGSWFD-LLVKDONJSA-N 2 2 268.361 -0.219 20 0 CBADLP C[C@@H](O)C[N@H+](CCNC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001267333572 827150290 /nfs/dbraw/zinc/15/02/90/827150290.db2.gz GCZDPMWGVVUOAX-SNVBAGLBSA-N 2 2 266.345 -0.086 20 0 CBADLP C[C@@H](O)C[N@@H+](CCNC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001267333572 827150292 /nfs/dbraw/zinc/15/02/92/827150292.db2.gz GCZDPMWGVVUOAX-SNVBAGLBSA-N 2 2 266.345 -0.086 20 0 CBADLP CN(CC[NH2+]Cc1nnnn1C)C(=O)C1([NH+](C)C)CCC1 ZINC001267384275 827163333 /nfs/dbraw/zinc/16/33/33/827163333.db2.gz PCGDQPDRYYHRQZ-UHFFFAOYSA-N 2 2 295.391 -0.758 20 0 CBADLP CCN(CC)C(=O)C[NH2+]CCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001267446363 827172627 /nfs/dbraw/zinc/17/26/27/827172627.db2.gz QBBREDVCRPVAGE-UHFFFAOYSA-N 2 2 295.387 -0.131 20 0 CBADLP CC[C@@H](C(=O)N(C)CC[NH2+]Cc1nnnn1C)[NH+](C)C ZINC001267457339 827174622 /nfs/dbraw/zinc/17/46/22/827174622.db2.gz XCKNKNUPTQAJLA-JTQLQIEISA-N 2 2 283.380 -0.902 20 0 CBADLP CC(C)CNC(=O)C[NH2+]CCN(C)C(=O)Cn1cc[nH+]c1 ZINC001267478452 827176733 /nfs/dbraw/zinc/17/67/33/827176733.db2.gz JJOIWAAFWDTLIE-UHFFFAOYSA-N 2 2 295.387 -0.297 20 0 CBADLP CC[C@H](C(=O)NC1C[NH+](CCO)C1)[NH+](CC)CC ZINC001267659645 827192411 /nfs/dbraw/zinc/19/24/11/827192411.db2.gz ZKBWAXGKURQUPS-GFCCVEGCSA-N 2 2 257.378 -0.101 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)C[NH2+]CCO ZINC001267989628 827239273 /nfs/dbraw/zinc/23/92/73/827239273.db2.gz DTPFIACJUJBJFY-NEPJUHHUSA-N 2 2 280.372 -0.220 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H](O)C[NH2+]CCCF ZINC001268322479 827299180 /nfs/dbraw/zinc/29/91/80/827299180.db2.gz DZMKQEIVBQSKEB-SNVBAGLBSA-N 2 2 258.297 -0.622 20 0 CBADLP CCN(C)C(=O)C[NH2+]C/C=C/CNC(=O)Cc1c[nH]c[nH+]1 ZINC001268599157 827377177 /nfs/dbraw/zinc/37/71/77/827377177.db2.gz UHCHCVWQUCMREH-SNAWJCMRSA-N 2 2 293.371 -0.308 20 0 CBADLP C[C@H](C[NH2+]CC(N)=O)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001268663246 827396836 /nfs/dbraw/zinc/39/68/36/827396836.db2.gz KSQFUECSPDVHMY-NXEZZACHSA-N 2 2 267.333 -0.586 20 0 CBADLP C[C@H](C[NH2+]CCN1CCCC1=O)NC(=O)Cn1cc[nH+]c1 ZINC001268676258 827399241 /nfs/dbraw/zinc/39/92/41/827399241.db2.gz NRGAEWFVGHTMLF-GFCCVEGCSA-N 2 2 293.371 -0.400 20 0 CBADLP C[C@H](C[N@H+](C)[C@H](C)C(N)=O)NC(=O)Cn1cc[nH+]c1 ZINC001268760722 827418763 /nfs/dbraw/zinc/41/87/63/827418763.db2.gz XFDZOIUPENMXFK-NXEZZACHSA-N 2 2 267.333 -0.807 20 0 CBADLP C[C@H](C[N@@H+](C)[C@H](C)C(N)=O)NC(=O)Cn1cc[nH+]c1 ZINC001268760722 827418765 /nfs/dbraw/zinc/41/87/65/827418765.db2.gz XFDZOIUPENMXFK-NXEZZACHSA-N 2 2 267.333 -0.807 20 0 CBADLP CCOCC[N@@H+]1CC[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001269320762 827492619 /nfs/dbraw/zinc/49/26/19/827492619.db2.gz ITCNEFNNOYCQCA-AWEZNQCLSA-N 2 2 299.415 -0.064 20 0 CBADLP CCOCC[N@H+]1CC[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001269320762 827492621 /nfs/dbraw/zinc/49/26/21/827492621.db2.gz ITCNEFNNOYCQCA-AWEZNQCLSA-N 2 2 299.415 -0.064 20 0 CBADLP CC[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@H](C)C(N)=O ZINC001269486251 827514303 /nfs/dbraw/zinc/51/43/03/827514303.db2.gz JGWUFTSQSQEJPX-BDAKNGLRSA-N 2 2 267.333 -0.690 20 0 CBADLP C[C@@H](O)C[NH2+]C1(CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001269512947 827515386 /nfs/dbraw/zinc/51/53/86/827515386.db2.gz MLSGAWCEFVFRFB-SECBINFHSA-N 2 2 252.318 -0.429 20 0 CBADLP CCOCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001270026837 827541939 /nfs/dbraw/zinc/54/19/39/827541939.db2.gz FBLNUYUMDPJKBT-KBPBESRZSA-N 2 2 299.415 -0.066 20 0 CBADLP CCOCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001270026837 827541943 /nfs/dbraw/zinc/54/19/43/827541943.db2.gz FBLNUYUMDPJKBT-KBPBESRZSA-N 2 2 299.415 -0.066 20 0 CBADLP CCOCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001270026838 827542270 /nfs/dbraw/zinc/54/22/70/827542270.db2.gz FBLNUYUMDPJKBT-KGLIPLIRSA-N 2 2 299.415 -0.066 20 0 CBADLP CCOCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001270026838 827542272 /nfs/dbraw/zinc/54/22/72/827542272.db2.gz FBLNUYUMDPJKBT-KGLIPLIRSA-N 2 2 299.415 -0.066 20 0 CBADLP CCOCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001270026839 827542293 /nfs/dbraw/zinc/54/22/93/827542293.db2.gz FBLNUYUMDPJKBT-UONOGXRCSA-N 2 2 299.415 -0.066 20 0 CBADLP CCOCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001270026839 827542296 /nfs/dbraw/zinc/54/22/96/827542296.db2.gz FBLNUYUMDPJKBT-UONOGXRCSA-N 2 2 299.415 -0.066 20 0 CBADLP C[C@@H](O)C[NH2+]C[C@@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001270159363 827551167 /nfs/dbraw/zinc/55/11/67/827551167.db2.gz RXIIMURBSFEYRG-MNOVXSKESA-N 2 2 266.345 -0.086 20 0 CBADLP C[NH+]1CC2(C1)CCCN(C(=O)[C@H](CO)n1cc[nH+]c1)C2 ZINC001270400202 827563114 /nfs/dbraw/zinc/56/31/14/827563114.db2.gz ZLAKGIRTWGIPDR-LBPRGKRZSA-N 2 2 278.356 -0.029 20 0 CBADLP C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](CO)n1cc[nH+]c1 ZINC001270398995 827563456 /nfs/dbraw/zinc/56/34/56/827563456.db2.gz JVTBERLNNILIEC-SRVKXCTJSA-N 2 2 264.329 -0.279 20 0 CBADLP C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](CO)n1cc[nH+]c1 ZINC001270398995 827563461 /nfs/dbraw/zinc/56/34/61/827563461.db2.gz JVTBERLNNILIEC-SRVKXCTJSA-N 2 2 264.329 -0.279 20 0 CBADLP COCC[NH2+]C[C@@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001270524916 827574571 /nfs/dbraw/zinc/57/45/71/827574571.db2.gz BFCDYAYQJRIDBB-SNVBAGLBSA-N 2 2 254.334 -0.060 20 0 CBADLP C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1C[NH+](C)CCO1 ZINC001270978632 827611676 /nfs/dbraw/zinc/61/16/76/827611676.db2.gz ZIDPAPVMPMOFIO-SDDRHHMPSA-N 2 2 253.346 -0.378 20 0 CBADLP C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1C[NH+](C)CCO1 ZINC001270978632 827611682 /nfs/dbraw/zinc/61/16/82/827611682.db2.gz ZIDPAPVMPMOFIO-SDDRHHMPSA-N 2 2 253.346 -0.378 20 0 CBADLP C[NH+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001270978632 827611684 /nfs/dbraw/zinc/61/16/84/827611684.db2.gz ZIDPAPVMPMOFIO-SDDRHHMPSA-N 2 2 253.346 -0.378 20 0 CBADLP C[NH+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001270978632 827611686 /nfs/dbraw/zinc/61/16/86/827611686.db2.gz ZIDPAPVMPMOFIO-SDDRHHMPSA-N 2 2 253.346 -0.378 20 0 CBADLP C[C@@H]([NH2+]CCO)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001271560595 827710282 /nfs/dbraw/zinc/71/02/82/827710282.db2.gz KUWPZAKGKJHGKT-VXGBXAGGSA-N 2 2 266.345 -0.298 20 0 CBADLP C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C[NH2+]CCO ZINC001271684602 827718289 /nfs/dbraw/zinc/71/82/89/827718289.db2.gz OEQVXFPOZIALTD-QWRGUYRKSA-N 2 2 266.345 -0.371 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N(CCO)CC[NH2+]CCF ZINC001272265399 827774495 /nfs/dbraw/zinc/77/44/95/827774495.db2.gz OHVYQTRWNNVHOS-UHFFFAOYSA-N 2 2 258.297 -0.668 20 0 CBADLP C[N@@H+]1C[C@@H](O)C[C@H]1C(=O)N1CCC[C@]2(C1)C[NH+](C)CCO2 ZINC001272273858 827776931 /nfs/dbraw/zinc/77/69/31/827776931.db2.gz ZJCQPLSBYGXYOJ-KCQAQPDRSA-N 2 2 297.399 -0.625 20 0 CBADLP C[N@H+]1C[C@@H](O)C[C@H]1C(=O)N1CCC[C@]2(C1)C[NH+](C)CCO2 ZINC001272273858 827776936 /nfs/dbraw/zinc/77/69/36/827776936.db2.gz ZJCQPLSBYGXYOJ-KCQAQPDRSA-N 2 2 297.399 -0.625 20 0 CBADLP C[NH+]1C[C@@H](O)C[C@H]1C(=O)N1CCC[C@]2(C1)C[N@H+](C)CCO2 ZINC001272273858 827776941 /nfs/dbraw/zinc/77/69/41/827776941.db2.gz ZJCQPLSBYGXYOJ-KCQAQPDRSA-N 2 2 297.399 -0.625 20 0 CBADLP C[NH+]1C[C@@H](O)C[C@H]1C(=O)N1CCC[C@]2(C1)C[N@@H+](C)CCO2 ZINC001272273858 827776949 /nfs/dbraw/zinc/77/69/49/827776949.db2.gz ZJCQPLSBYGXYOJ-KCQAQPDRSA-N 2 2 297.399 -0.625 20 0 CBADLP CC(C)[NH2+]CCN(CCO)C(=O)Cc1[nH]cc[nH+]1 ZINC001272283781 827777386 /nfs/dbraw/zinc/77/73/86/827777386.db2.gz CINHIVWRHOCQRA-UHFFFAOYSA-N 2 2 254.334 -0.229 20 0 CBADLP O=C(NC[C@H](O)C[NH2+]CCO)c1cccc2[nH+]ccn21 ZINC001272469043 827804035 /nfs/dbraw/zinc/80/40/35/827804035.db2.gz COLLHLJUIHVXGL-SNVBAGLBSA-N 2 2 278.312 -0.993 20 0 CBADLP C[NH+](C)CCN1CC[C@]2(CC[N@H+](Cc3cnn[nH]3)C2)C1=O ZINC001272570506 827823115 /nfs/dbraw/zinc/82/31/15/827823115.db2.gz UPYVAHCYZOCBMB-AWEZNQCLSA-N 2 2 292.387 -0.209 20 0 CBADLP C[NH+](C)CCN1CC[C@]2(CC[N@@H+](Cc3cnn[nH]3)C2)C1=O ZINC001272570506 827823124 /nfs/dbraw/zinc/82/31/24/827823124.db2.gz UPYVAHCYZOCBMB-AWEZNQCLSA-N 2 2 292.387 -0.209 20 0 CBADLP C[NH+](C)CCN1CC[C@]2(CC[N@H+](Cc3c[nH]nn3)C2)C1=O ZINC001272570506 827823132 /nfs/dbraw/zinc/82/31/32/827823132.db2.gz UPYVAHCYZOCBMB-AWEZNQCLSA-N 2 2 292.387 -0.209 20 0 CBADLP C[NH+](C)CCN1CC[C@]2(CC[N@@H+](Cc3c[nH]nn3)C2)C1=O ZINC001272570506 827823141 /nfs/dbraw/zinc/82/31/41/827823141.db2.gz UPYVAHCYZOCBMB-AWEZNQCLSA-N 2 2 292.387 -0.209 20 0 CBADLP C[NH+](C)CCN1CC[C@]2(CC[N@H+](Cc3cn[nH]n3)C2)C1=O ZINC001272570506 827823150 /nfs/dbraw/zinc/82/31/50/827823150.db2.gz UPYVAHCYZOCBMB-AWEZNQCLSA-N 2 2 292.387 -0.209 20 0 CBADLP C[NH+](C)CCN1CC[C@]2(CC[N@@H+](Cc3cn[nH]n3)C2)C1=O ZINC001272570506 827823163 /nfs/dbraw/zinc/82/31/63/827823163.db2.gz UPYVAHCYZOCBMB-AWEZNQCLSA-N 2 2 292.387 -0.209 20 0 CBADLP C[N@@H+]1CCN(C(=O)C[NH+]2CCC2)C[C@@]2(CCCC(=O)N2)C1 ZINC001273364009 827893817 /nfs/dbraw/zinc/89/38/17/827893817.db2.gz UFJNLFAOQFABPB-OAHLLOKOSA-N 2 2 294.399 -0.495 20 0 CBADLP C[N@H+]1CCN(C(=O)C[NH+]2CCC2)C[C@@]2(CCCC(=O)N2)C1 ZINC001273364009 827893824 /nfs/dbraw/zinc/89/38/24/827893824.db2.gz UFJNLFAOQFABPB-OAHLLOKOSA-N 2 2 294.399 -0.495 20 0 CBADLP COC(=O)C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC[NH+](C)C ZINC001273930657 827943264 /nfs/dbraw/zinc/94/32/64/827943264.db2.gz CIWXRINEOZUOID-VXGBXAGGSA-N 2 2 283.372 -0.214 20 0 CBADLP COC(=O)C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC[NH+](C)C ZINC001273930657 827943266 /nfs/dbraw/zinc/94/32/66/827943266.db2.gz CIWXRINEOZUOID-VXGBXAGGSA-N 2 2 283.372 -0.214 20 0 CBADLP NC(=O)C[NH2+]C/C=C/CNC(=O)CCn1cc[nH+]c1 ZINC001274244087 827977181 /nfs/dbraw/zinc/97/71/81/827977181.db2.gz HXJDKCQDPLGWDZ-OWOJBTEDSA-N 2 2 265.317 -0.980 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC/C=C\C[NH2+]CCCO ZINC001274630181 828014034 /nfs/dbraw/zinc/01/40/34/828014034.db2.gz DDQMAPGSHONADB-UPHRSURJSA-N 2 2 252.318 -0.473 20 0 CBADLP COCC[N@@H+]1C[C@@H]2COC[C@H](C1)N2CCn1cc[nH+]c1 ZINC001274981499 828048480 /nfs/dbraw/zinc/04/84/80/828048480.db2.gz JOSULKGSRXLENU-OKILXGFUSA-N 2 2 280.372 -0.086 20 0 CBADLP COCC[N@H+]1C[C@@H]2COC[C@H](C1)N2CCn1cc[nH+]c1 ZINC001274981499 828048490 /nfs/dbraw/zinc/04/84/90/828048490.db2.gz JOSULKGSRXLENU-OKILXGFUSA-N 2 2 280.372 -0.086 20 0 CBADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[N@H+](C)CCCO ZINC001275963951 828126608 /nfs/dbraw/zinc/12/66/08/828126608.db2.gz WMGBNWWAPXKXLD-JTQLQIEISA-N 2 2 254.334 -0.229 20 0 CBADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[N@@H+](C)CCCO ZINC001275963951 828126609 /nfs/dbraw/zinc/12/66/09/828126609.db2.gz WMGBNWWAPXKXLD-JTQLQIEISA-N 2 2 254.334 -0.229 20 0 CBADLP Cn1c[nH+]cc1CN1C[C@H]2CN(CC[NH+](C)C)C[C@@H](C1)O2 ZINC001276149034 828135650 /nfs/dbraw/zinc/13/56/50/828135650.db2.gz ZBERWQLFKJGBIA-GASCZTMLSA-N 2 2 293.415 -0.133 20 0 CBADLP Cn1c[nH+]cc1CN1[C@H]2COC[C@@H]1CN(CC[NH+](C)C)C2 ZINC001276147952 828136122 /nfs/dbraw/zinc/13/61/22/828136122.db2.gz BVSWXTPRKAWBFK-GASCZTMLSA-N 2 2 293.415 -0.133 20 0 CBADLP CCNC(=O)C[NH2+]CCCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001276296981 828141480 /nfs/dbraw/zinc/14/14/80/828141480.db2.gz GWAWBFWKTSADON-UHFFFAOYSA-N 2 2 281.360 -0.474 20 0 CBADLP C[C@@H](O)C[NH+]1CC([C@@H](C)NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001276440598 828146044 /nfs/dbraw/zinc/14/60/44/828146044.db2.gz ZYZUXSNGVXZVQR-NXEZZACHSA-N 2 2 266.345 -0.231 20 0 CBADLP CCOCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001276825315 828162414 /nfs/dbraw/zinc/16/24/14/828162414.db2.gz YYVMCGWAQMQPIG-CHWSQXEVSA-N 2 2 285.388 -0.456 20 0 CBADLP CCOCC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001276825315 828162417 /nfs/dbraw/zinc/16/24/17/828162417.db2.gz YYVMCGWAQMQPIG-CHWSQXEVSA-N 2 2 285.388 -0.456 20 0 CBADLP CCOCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001276825315 828162421 /nfs/dbraw/zinc/16/24/21/828162421.db2.gz YYVMCGWAQMQPIG-CHWSQXEVSA-N 2 2 285.388 -0.456 20 0 CBADLP CCOCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001276825315 828162424 /nfs/dbraw/zinc/16/24/24/828162424.db2.gz YYVMCGWAQMQPIG-CHWSQXEVSA-N 2 2 285.388 -0.456 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]CCC[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001277306769 828183057 /nfs/dbraw/zinc/18/30/57/828183057.db2.gz ZNXYQHXHCKOFQJ-QWRGUYRKSA-N 2 2 295.387 -0.039 20 0 CBADLP CC[C@H](C(=O)N(C)C1C[NH+](C[C@H](C)O)C1)[NH+](C)C ZINC001277618184 828198556 /nfs/dbraw/zinc/19/85/56/828198556.db2.gz NXOCYZREZINWAE-CMPLNLGQSA-N 2 2 257.378 -0.150 20 0 CBADLP CC[C@H](C(=O)N(C)C1C[NH+](C[C@@H](C)O)C1)[NH+](C)C ZINC001277618186 828198969 /nfs/dbraw/zinc/19/89/69/828198969.db2.gz NXOCYZREZINWAE-ZYHUDNBSSA-N 2 2 257.378 -0.150 20 0 CBADLP C[N@H+]1[C@@H]2CC[C@H]1CN(CC(=O)N1CC[NH+](C)CC1)C2 ZINC001277631060 828199929 /nfs/dbraw/zinc/19/99/29/828199929.db2.gz CVZYZGNBCGFXAG-BETUJISGSA-N 2 2 266.389 -0.461 20 0 CBADLP C[N@@H+]1[C@@H]2CC[C@H]1CN(CC(=O)N1CC[NH+](C)CC1)C2 ZINC001277631060 828199930 /nfs/dbraw/zinc/19/99/30/828199930.db2.gz CVZYZGNBCGFXAG-BETUJISGSA-N 2 2 266.389 -0.461 20 0 CBADLP CNC(=O)C(C)(C)[NH+]1CC2(CCN2CC[NH+](C)C)C1 ZINC001277640506 828200418 /nfs/dbraw/zinc/20/04/18/828200418.db2.gz OMGSDPFULFIIQZ-UHFFFAOYSA-N 2 2 268.405 -0.167 20 0 CBADLP CCNC(=O)C[NH+]1CCC2(C[NH+](CC(=O)N(C)C)C2)CC1 ZINC001278027073 828232203 /nfs/dbraw/zinc/23/22/03/828232203.db2.gz PBYAJWCZQCNBRH-UHFFFAOYSA-N 2 2 296.415 -0.392 20 0 CBADLP CC[C@@H](C(N)=O)[NH+]1CC2(C1)CCN(CC[NH+](C)C)C2 ZINC001278032268 828233381 /nfs/dbraw/zinc/23/33/81/828233381.db2.gz KXKHOCVXPLUYPX-LBPRGKRZSA-N 2 2 268.405 -0.180 20 0 CBADLP CCNC(=O)C[N@@H+]1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001278029627 828233562 /nfs/dbraw/zinc/23/35/62/828233562.db2.gz ZVPSMKNBGKPRNV-STQMWFEESA-N 2 2 284.404 -0.931 20 0 CBADLP CCNC(=O)C[N@H+]1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001278029627 828233564 /nfs/dbraw/zinc/23/35/64/828233564.db2.gz ZVPSMKNBGKPRNV-STQMWFEESA-N 2 2 284.404 -0.931 20 0 CBADLP COCC[NH2+][C@H](CO)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001278106145 828248819 /nfs/dbraw/zinc/24/88/19/828248819.db2.gz UZWBWORKBWFFNV-RYUDHWBXSA-N 2 2 296.371 -0.841 20 0 CBADLP CC[NH2+][C@H](CO)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001278106383 828249546 /nfs/dbraw/zinc/24/95/46/828249546.db2.gz YADJBTNLZCDEMK-QWRGUYRKSA-N 2 2 266.345 -0.468 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@@]1(C)CC[N@H+](CCO)C1 ZINC001278437704 828269864 /nfs/dbraw/zinc/26/98/64/828269864.db2.gz HLJXTNABKSOBBG-ZDUSSCGKSA-N 2 2 266.345 -0.465 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@@]1(C)CC[N@@H+](CCO)C1 ZINC001278437704 828269868 /nfs/dbraw/zinc/26/98/68/828269868.db2.gz HLJXTNABKSOBBG-ZDUSSCGKSA-N 2 2 266.345 -0.465 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1CC[C@H](C[NH2+]CCO)C1 ZINC001278594939 828274894 /nfs/dbraw/zinc/27/48/94/828274894.db2.gz QKQPLDPCMPWWHG-QWRGUYRKSA-N 2 2 266.345 -0.181 20 0 CBADLP COc1cc[nH+]cc1CC(=O)N(C)C[C@@H](O)C[NH2+]CCO ZINC001278774004 828286347 /nfs/dbraw/zinc/28/63/47/828286347.db2.gz OYSBRHGVJNBDFB-LBPRGKRZSA-N 2 2 297.355 -0.966 20 0 CBADLP CN(C[C@H](O)C[NH2+]CC1CC1)C(=O)Cn1cc[nH+]c1 ZINC001278837595 828294686 /nfs/dbraw/zinc/29/46/86/828294686.db2.gz AZFUPETXFXNSND-GFCCVEGCSA-N 2 2 266.345 -0.298 20 0 CBADLP C[C@@H](O)C[NH+]1CC(O)(CNC(=O)CCCC[NH+](C)C)C1 ZINC001278923125 828311473 /nfs/dbraw/zinc/31/14/73/828311473.db2.gz WEWKCSQWXVXWHS-GFCCVEGCSA-N 2 2 287.404 -0.738 20 0 CBADLP C[C@H](C(=O)N1CC[C@](O)(C[NH+](C)C)C1)n1cc[nH+]c1 ZINC001347930553 890536549 /nfs/dbraw/zinc/53/65/49/890536549.db2.gz GXCRTSVAXSIDKE-YPMHNXCESA-N 2 2 266.345 -0.031 20 0 CBADLP CONC(=O)C1CC[NH+](C[C@H]2C[NH2+]CCO2)CC1 ZINC001348814575 890703704 /nfs/dbraw/zinc/70/37/04/890703704.db2.gz HJALRCDABJMVFG-LLVKDONJSA-N 2 2 257.334 -0.636 20 0 CBADLP C[NH+]1CCC(N(CCO)C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001350809550 891046982 /nfs/dbraw/zinc/04/69/82/891046982.db2.gz OUZXPRCMRWDYHC-UHFFFAOYSA-N 2 2 266.345 -0.133 20 0 CBADLP NC(=O)C[N@@H+]1CCC[C@H](NC(=O)CCCCC[NH3+])C1 ZINC001326408386 885019560 /nfs/dbraw/zinc/01/95/60/885019560.db2.gz JZKOBVHNRCWNSY-NSHDSACASA-N 2 2 270.377 -0.429 20 0 CBADLP NC(=O)C[N@H+]1CCC[C@H](NC(=O)CCCCC[NH3+])C1 ZINC001326408386 885019572 /nfs/dbraw/zinc/01/95/72/885019572.db2.gz JZKOBVHNRCWNSY-NSHDSACASA-N 2 2 270.377 -0.429 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)C[NH2+]C1CC1 ZINC001328452554 885689465 /nfs/dbraw/zinc/68/94/65/885689465.db2.gz XJVSBNVYOFSSNT-JTQLQIEISA-N 2 2 255.318 -0.898 20 0 CBADLP Cn1c[nH+]cc1CNC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC001331892904 887036602 /nfs/dbraw/zinc/03/66/02/887036602.db2.gz MVBPWEKXOMQPCT-JTQLQIEISA-N 2 2 266.349 -0.796 20 0 CBADLP O[C@H](C[NH2+]CCn1cc[nH+]c1)CC1(O)CCOCC1 ZINC001332287404 887184085 /nfs/dbraw/zinc/18/40/85/887184085.db2.gz GLKBVDOCXZGCAU-LBPRGKRZSA-N 2 2 269.345 -0.235 20 0 CBADLP C[C@@H](C(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1)[NH+](C)C ZINC001335991323 888669388 /nfs/dbraw/zinc/66/93/88/888669388.db2.gz QMBQITOAEGSKAK-UWVGGRQHSA-N 2 2 256.350 -0.998 20 0 CBADLP C[C@@H](C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1)[NH+](C)C ZINC001335991323 888669390 /nfs/dbraw/zinc/66/93/90/888669390.db2.gz QMBQITOAEGSKAK-UWVGGRQHSA-N 2 2 256.350 -0.998 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC001336732772 888858042 /nfs/dbraw/zinc/85/80/42/888858042.db2.gz SVHCDVUFNIRJOP-JTQLQIEISA-N 2 2 252.318 -0.163 20 0 CBADLP CN(C)[C@H](C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1)C1CC1 ZINC001336738940 888864580 /nfs/dbraw/zinc/86/45/80/888864580.db2.gz IXEKGUZXAVEUOD-LSDHHAIUSA-N 2 2 284.448 -0.476 20 0 CBADLP C[C@@H]1C[NH2+]C[C@H]1NC(=O)NCCc1cn(C)c[nH+]1 ZINC001336877557 888904092 /nfs/dbraw/zinc/90/40/92/888904092.db2.gz RNWUXWXBYLFWGG-MWLCHTKSSA-N 2 2 251.334 -0.130 20 0 CBADLP CN(C(=O)CON)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001341381567 889585513 /nfs/dbraw/zinc/58/55/13/889585513.db2.gz BLLNMJCENUPINU-LBPRGKRZSA-N 2 2 270.377 -0.496 20 0 CBADLP CN(C(=O)CON)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001341381567 889585520 /nfs/dbraw/zinc/58/55/20/889585520.db2.gz BLLNMJCENUPINU-LBPRGKRZSA-N 2 2 270.377 -0.496 20 0 CBADLP COC[C@@H]1C[NH2+]CCN1C(=O)[C@@H](C)n1cc[nH+]c1 ZINC001341517000 889612077 /nfs/dbraw/zinc/61/20/77/889612077.db2.gz PVVZTPLFBBNPLE-MNOVXSKESA-N 2 2 252.318 -0.109 20 0 CBADLP Cn1nccc1C[NH+]1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001443609322 912243144 /nfs/dbraw/zinc/24/31/44/912243144.db2.gz OSZPGTSBANYWPK-UHFFFAOYSA-N 2 2 279.388 -0.080 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NCC1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001443650342 912246943 /nfs/dbraw/zinc/24/69/43/912246943.db2.gz CFIXCBSHUBUAKR-GFCCVEGCSA-N 2 2 282.388 -0.737 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NCC1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001443650342 912246964 /nfs/dbraw/zinc/24/69/64/912246964.db2.gz CFIXCBSHUBUAKR-GFCCVEGCSA-N 2 2 282.388 -0.737 20 0 CBADLP CC[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@H](C)C(=O)NC ZINC001444010698 912326509 /nfs/dbraw/zinc/32/65/09/912326509.db2.gz QELMDQZGKKLNIM-ZJUUUORDSA-N 2 2 281.360 -0.429 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001444380401 912439229 /nfs/dbraw/zinc/43/92/29/912439229.db2.gz AMJGZTDXYJQNAS-SNVBAGLBSA-N 2 2 281.360 -0.950 20 0 CBADLP C[C@H](C[NH2+][C@@H]1CCNC1=O)N(C)C(=O)Cn1cc[nH+]c1 ZINC001444727031 912496664 /nfs/dbraw/zinc/49/66/64/912496664.db2.gz NFHMIEJKYYLRHQ-GHMZBOCLSA-N 2 2 279.344 -0.792 20 0 CBADLP CCNC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001444984508 912530472 /nfs/dbraw/zinc/53/04/72/912530472.db2.gz ASMSLESTIPZOCW-CHWSQXEVSA-N 2 2 298.431 -0.147 20 0 CBADLP CCNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001444984508 912530482 /nfs/dbraw/zinc/53/04/82/912530482.db2.gz ASMSLESTIPZOCW-CHWSQXEVSA-N 2 2 298.431 -0.147 20 0 CBADLP CCNC(=O)C[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001444984508 912530488 /nfs/dbraw/zinc/53/04/88/912530488.db2.gz ASMSLESTIPZOCW-CHWSQXEVSA-N 2 2 298.431 -0.147 20 0 CBADLP CCNC(=O)C[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001444984508 912530501 /nfs/dbraw/zinc/53/05/01/912530501.db2.gz ASMSLESTIPZOCW-CHWSQXEVSA-N 2 2 298.431 -0.147 20 0 CBADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)C1CC[NH2+]CC1 ZINC001345767613 890162488 /nfs/dbraw/zinc/16/24/88/890162488.db2.gz WEPVENDPOACSMP-LBPRGKRZSA-N 2 2 268.405 -0.262 20 0 CBADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@@H](C)[NH2+]C1CC1 ZINC001345991340 890190051 /nfs/dbraw/zinc/19/00/51/890190051.db2.gz CPAPNHRTUPAPND-MWLCHTKSSA-N 2 2 269.345 -0.510 20 0 CBADLP CC(C)[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001445200372 912597623 /nfs/dbraw/zinc/59/76/23/912597623.db2.gz GTDBKVSNFKWQOE-WCQYABFASA-N 2 2 280.372 -0.079 20 0 CBADLP CC[C@H](F)C[NH2+]C[C@@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001445278208 912621361 /nfs/dbraw/zinc/62/13/61/912621361.db2.gz PRIOUDLRLGYYTK-VHSXEESVSA-N 2 2 272.324 -0.233 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NCC1([NH3+])CC1 ZINC001346633379 890332604 /nfs/dbraw/zinc/33/26/04/890332604.db2.gz OVVLDYGHLVDPBW-SNVBAGLBSA-N 2 2 256.350 -0.502 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NCC1([NH3+])CC1 ZINC001346633379 890332620 /nfs/dbraw/zinc/33/26/20/890332620.db2.gz OVVLDYGHLVDPBW-SNVBAGLBSA-N 2 2 256.350 -0.502 20 0 CBADLP C[C@H](C[NH2+][C@@H](C)C(=O)N(C)C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001445391449 912656748 /nfs/dbraw/zinc/65/67/48/912656748.db2.gz SRJWLHUUUWGJSB-MNOVXSKESA-N 2 2 295.387 -0.087 20 0 CBADLP C[C@H](C[NH2+][C@@H](C)C(=O)N(C)C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001445391449 912656755 /nfs/dbraw/zinc/65/67/55/912656755.db2.gz SRJWLHUUUWGJSB-MNOVXSKESA-N 2 2 295.387 -0.087 20 0 CBADLP CC[C@H]([NH2+]C[C@H](C)NC(=O)CCn1cc[nH+]c1)C(N)=O ZINC001445590874 912708121 /nfs/dbraw/zinc/70/81/21/912708121.db2.gz MSPRLNMCCZFMQG-QWRGUYRKSA-N 2 2 281.360 -0.369 20 0 CBADLP CNC(=O)C[NH2+]C[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001445652559 912723328 /nfs/dbraw/zinc/72/33/28/912723328.db2.gz WBQQUJKCGJRRAR-JTQLQIEISA-N 2 2 281.360 -0.807 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+](C)C[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001445851711 912769259 /nfs/dbraw/zinc/76/92/59/912769259.db2.gz HUPNSGYOVBOXCM-SKDRFNHKSA-N 2 2 295.387 -0.039 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+](C)C[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001445851711 912769274 /nfs/dbraw/zinc/76/92/74/912769274.db2.gz HUPNSGYOVBOXCM-SKDRFNHKSA-N 2 2 295.387 -0.039 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001445984274 912796960 /nfs/dbraw/zinc/79/69/60/912796960.db2.gz GUJZVVUFGMWRMO-SNVBAGLBSA-N 2 2 279.344 -0.817 20 0 CBADLP CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000911823861 884597026 /nfs/dbraw/zinc/59/70/26/884597026.db2.gz AGSPRIUEXVJIJF-MCIONIFRSA-N 2 2 299.415 -0.034 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1CC[N@@H+](CC2CC2)C[C@@H]1O ZINC001090602613 884644041 /nfs/dbraw/zinc/64/40/41/884644041.db2.gz ZSOWCESJYAJIFG-STQMWFEESA-N 2 2 278.356 -0.086 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1CC[N@H+](CC2CC2)C[C@@H]1O ZINC001090602613 884644047 /nfs/dbraw/zinc/64/40/47/884644047.db2.gz ZSOWCESJYAJIFG-STQMWFEESA-N 2 2 278.356 -0.086 20 0 CBADLP CCC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](O)C1 ZINC001090600647 884644384 /nfs/dbraw/zinc/64/43/84/884644384.db2.gz LTOJRDHDURNRRW-NWDGAFQWSA-N 2 2 266.345 -0.086 20 0 CBADLP CCC[N@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](O)C1 ZINC001090600647 884644386 /nfs/dbraw/zinc/64/43/86/884644386.db2.gz LTOJRDHDURNRRW-NWDGAFQWSA-N 2 2 266.345 -0.086 20 0 CBADLP COCC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](O)C1 ZINC001090599366 884646362 /nfs/dbraw/zinc/64/63/62/884646362.db2.gz DPBWYXHIHDEZMY-NWDGAFQWSA-N 2 2 282.344 -0.850 20 0 CBADLP COCC[N@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](O)C1 ZINC001090599366 884646372 /nfs/dbraw/zinc/64/63/72/884646372.db2.gz DPBWYXHIHDEZMY-NWDGAFQWSA-N 2 2 282.344 -0.850 20 0 CBADLP CCC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](O)C1 ZINC001090600649 884646899 /nfs/dbraw/zinc/64/68/99/884646899.db2.gz LTOJRDHDURNRRW-VXGBXAGGSA-N 2 2 266.345 -0.086 20 0 CBADLP CCC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](O)C1 ZINC001090600649 884646904 /nfs/dbraw/zinc/64/69/04/884646904.db2.gz LTOJRDHDURNRRW-VXGBXAGGSA-N 2 2 266.345 -0.086 20 0 CBADLP Cn1ncc(C[NH2+]C2(CNC(=O)C[NH+]3CCCC3)CC2)n1 ZINC001446280439 912856496 /nfs/dbraw/zinc/85/64/96/912856496.db2.gz YKRAUPLCSHMOBR-UHFFFAOYSA-N 2 2 292.387 -0.351 20 0 CBADLP Cc1ncc(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)o1 ZINC001326160809 884928361 /nfs/dbraw/zinc/92/83/61/884928361.db2.gz RNJQWGKFMUACDJ-GFCCVEGCSA-N 2 2 268.361 -0.319 20 0 CBADLP COC[C@@H](O)C[NH2+]C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001446451299 912885418 /nfs/dbraw/zinc/88/54/18/912885418.db2.gz FOMZBKCQGBEMRL-STQMWFEESA-N 2 2 296.371 -0.529 20 0 CBADLP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001326368413 885008630 /nfs/dbraw/zinc/00/86/30/885008630.db2.gz BMZFYJXOCWUYPR-DCAQKATOSA-N 2 2 268.361 -0.950 20 0 CBADLP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001326368413 885008650 /nfs/dbraw/zinc/00/86/50/885008650.db2.gz BMZFYJXOCWUYPR-DCAQKATOSA-N 2 2 268.361 -0.950 20 0 CBADLP C[C@@H](NC(=O)C[NH2+]CC1([NH3+])CCC1)C(=O)N(C)C ZINC001326583662 885075406 /nfs/dbraw/zinc/07/54/06/885075406.db2.gz LCYZJPVHCWOZLG-SECBINFHSA-N 2 2 256.350 -0.950 20 0 CBADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCc2nn(C)c(=O)cc2C1 ZINC001326800985 885152384 /nfs/dbraw/zinc/15/23/84/885152384.db2.gz QBZIWPMAYQTXNW-CYBMUJFWSA-N 2 2 266.345 -0.891 20 0 CBADLP C[NH2+]C[C@@](C)(O)C[N@H+]1CCc2nn(C)c(=O)cc2C1 ZINC001326800985 885152389 /nfs/dbraw/zinc/15/23/89/885152389.db2.gz QBZIWPMAYQTXNW-CYBMUJFWSA-N 2 2 266.345 -0.891 20 0 CBADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1coc(C[NH3+])c1 ZINC001326797986 885152447 /nfs/dbraw/zinc/15/24/47/885152447.db2.gz SRPUHFAGPSPRIN-NSHDSACASA-N 2 2 266.345 -0.286 20 0 CBADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)c1coc(C[NH3+])c1 ZINC001326797986 885152453 /nfs/dbraw/zinc/15/24/53/885152453.db2.gz SRPUHFAGPSPRIN-NSHDSACASA-N 2 2 266.345 -0.286 20 0 CBADLP CN(CCC[N@H+](C)CC(N)=O)C(=O)Cn1cc[nH+]c1 ZINC001327300710 885322451 /nfs/dbraw/zinc/32/24/51/885322451.db2.gz XOQXJUGGCMDGRZ-UHFFFAOYSA-N 2 2 267.333 -0.851 20 0 CBADLP CN(CCC[N@@H+](C)CC(N)=O)C(=O)Cn1cc[nH+]c1 ZINC001327300710 885322469 /nfs/dbraw/zinc/32/24/69/885322469.db2.gz XOQXJUGGCMDGRZ-UHFFFAOYSA-N 2 2 267.333 -0.851 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)NCC[C@H](C)[NH2+]C)CC1 ZINC001327550304 885401314 /nfs/dbraw/zinc/40/13/14/885401314.db2.gz GIMGZBGHZKLSTF-NSHDSACASA-N 2 2 270.377 -0.735 20 0 CBADLP COCC[N@@H+]1CC[C@](O)(CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001446749865 912937433 /nfs/dbraw/zinc/93/74/33/912937433.db2.gz IIQSZBUHLCVYFI-AWEZNQCLSA-N 2 2 296.371 -0.458 20 0 CBADLP COCC[N@H+]1CC[C@](O)(CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001446749865 912937446 /nfs/dbraw/zinc/93/74/46/912937446.db2.gz IIQSZBUHLCVYFI-AWEZNQCLSA-N 2 2 296.371 -0.458 20 0 CBADLP COCC[N@@H+]1CC[C@](O)(CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001446749865 912937457 /nfs/dbraw/zinc/93/74/57/912937457.db2.gz IIQSZBUHLCVYFI-AWEZNQCLSA-N 2 2 296.371 -0.458 20 0 CBADLP COCC[N@H+]1CC[C@](O)(CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001446749865 912937471 /nfs/dbraw/zinc/93/74/71/912937471.db2.gz IIQSZBUHLCVYFI-AWEZNQCLSA-N 2 2 296.371 -0.458 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NCCC[NH+]1CCC(O)CC1 ZINC001327984754 885548677 /nfs/dbraw/zinc/54/86/77/885548677.db2.gz ANQBQGUZGRZJLA-UHFFFAOYSA-N 2 2 266.345 -0.085 20 0 CBADLP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC001328451096 885689593 /nfs/dbraw/zinc/68/95/93/885689593.db2.gz ORDZKDUCRSQPGX-AXFHLTTASA-N 2 2 293.371 -0.444 20 0 CBADLP Cn1c[nH+]c(CCNC(=O)C(=O)NCCCCCC[NH3+])c1 ZINC001328452154 885690743 /nfs/dbraw/zinc/69/07/43/885690743.db2.gz URBXYPUBDWTOFQ-UHFFFAOYSA-N 2 2 295.387 -0.286 20 0 CBADLP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC001328451097 885691311 /nfs/dbraw/zinc/69/13/11/885691311.db2.gz ORDZKDUCRSQPGX-DCAQKATOSA-N 2 2 293.371 -0.444 20 0 CBADLP C[NH2+][C@@H](C(=O)NCCn1cc[nH+]c1)c1cnn(C)c1 ZINC001328581090 885732502 /nfs/dbraw/zinc/73/25/02/885732502.db2.gz GZMYEQZJPLVLNH-LLVKDONJSA-N 2 2 262.317 -0.307 20 0 CBADLP C[NH+]1CCC(CC(=O)NCC2(O)C[NH+](CCCO)C2)CC1 ZINC001446896925 912975724 /nfs/dbraw/zinc/97/57/24/912975724.db2.gz STBIWZQFQDMDLX-UHFFFAOYSA-N 2 2 299.415 -0.736 20 0 CBADLP C[C@H](O)C[N@@H+]1CCC[C@](CO)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001447039376 913003588 /nfs/dbraw/zinc/00/35/88/913003588.db2.gz VMTAMCNAOYWWGF-JSGCOSHPSA-N 2 2 296.371 -0.793 20 0 CBADLP C[C@H](O)C[N@H+]1CCC[C@](CO)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001447039376 913003606 /nfs/dbraw/zinc/00/36/06/913003606.db2.gz VMTAMCNAOYWWGF-JSGCOSHPSA-N 2 2 296.371 -0.793 20 0 CBADLP NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]([NH3+])C2CCC2)C1 ZINC001329564566 886124952 /nfs/dbraw/zinc/12/49/52/886124952.db2.gz OFBWHNGOSXQGNG-ZYHUDNBSSA-N 2 2 268.361 -0.820 20 0 CBADLP NC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H]([NH3+])C2CCC2)C1 ZINC001329564566 886124960 /nfs/dbraw/zinc/12/49/60/886124960.db2.gz OFBWHNGOSXQGNG-ZYHUDNBSSA-N 2 2 268.361 -0.820 20 0 CBADLP CC[NH+]1CC(CCO)(NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001329695645 886179062 /nfs/dbraw/zinc/17/90/62/886179062.db2.gz ZMOIQWNVIPNDNF-LBPRGKRZSA-N 2 2 269.389 -0.099 20 0 CBADLP C[C@@H](C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)n1cc[nH+]c1 ZINC001330115284 886362770 /nfs/dbraw/zinc/36/27/70/886362770.db2.gz PTTOIMAPQODDCK-RYUDHWBXSA-N 2 2 293.371 -0.100 20 0 CBADLP C[C@@H](C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)n1cc[nH+]c1 ZINC001330115284 886362781 /nfs/dbraw/zinc/36/27/81/886362781.db2.gz PTTOIMAPQODDCK-RYUDHWBXSA-N 2 2 293.371 -0.100 20 0 CBADLP O=C([C@@H]1[NH2+]C[C@@H]2C[C@@H]21)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC001330709262 886539665 /nfs/dbraw/zinc/53/96/65/886539665.db2.gz CQVULYCEBYARNZ-ZDEQEGDKSA-N 2 2 265.357 -0.473 20 0 CBADLP C[C@H]([NH3+])CCNC(=O)C(=O)NCCCn1cc[nH+]c1 ZINC001330870199 886607493 /nfs/dbraw/zinc/60/74/93/886607493.db2.gz LSFDQAVQBAFUJO-JTQLQIEISA-N 2 2 267.333 -0.757 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+](C)CCCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001447362626 913062891 /nfs/dbraw/zinc/06/28/91/913062891.db2.gz NFJUZGNYOATXMV-LLVKDONJSA-N 2 2 295.387 -0.133 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+](C)CCCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001447362626 913062911 /nfs/dbraw/zinc/06/29/11/913062911.db2.gz NFJUZGNYOATXMV-LLVKDONJSA-N 2 2 295.387 -0.133 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]CCC[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001330946701 886633607 /nfs/dbraw/zinc/63/36/07/886633607.db2.gz MJLBMULHKMBZCQ-GHMZBOCLSA-N 2 2 295.387 -0.039 20 0 CBADLP C[N@H+](CC(=O)N[C@@H]1COC2(C[NH+](CCO)C2)C1)C1CCC1 ZINC001447410909 913076807 /nfs/dbraw/zinc/07/68/07/913076807.db2.gz WJMDOKXWICHJQR-LBPRGKRZSA-N 2 2 297.399 -0.578 20 0 CBADLP C[N@@H+](CC(=O)N[C@@H]1COC2(C[NH+](CCO)C2)C1)C1CCC1 ZINC001447410909 913076819 /nfs/dbraw/zinc/07/68/19/913076819.db2.gz WJMDOKXWICHJQR-LBPRGKRZSA-N 2 2 297.399 -0.578 20 0 CBADLP C[N@H+](CC(=O)N[C@H]1COC2(C[NH+](CCO)C2)C1)C1CCC1 ZINC001447410904 913078443 /nfs/dbraw/zinc/07/84/43/913078443.db2.gz WJMDOKXWICHJQR-GFCCVEGCSA-N 2 2 297.399 -0.578 20 0 CBADLP C[N@@H+](CC(=O)N[C@H]1COC2(C[NH+](CCO)C2)C1)C1CCC1 ZINC001447410904 913078457 /nfs/dbraw/zinc/07/84/57/913078457.db2.gz WJMDOKXWICHJQR-GFCCVEGCSA-N 2 2 297.399 -0.578 20 0 CBADLP CCN(C(=O)[C@H](C)N1CC[NH2+]CC1=O)[C@@H]1CC[NH2+]C1 ZINC001331444072 886811630 /nfs/dbraw/zinc/81/16/30/886811630.db2.gz QBLJRNIDSXXQOG-WDEREUQCSA-N 2 2 268.361 -0.983 20 0 CBADLP C[NH2+][C@H](C)CCNC(=O)/C=C/C[NH+]1CCOCC1 ZINC001331673509 886896937 /nfs/dbraw/zinc/89/69/37/886896937.db2.gz FCHXSYIYWXXONS-AAOUONPWSA-N 2 2 255.362 -0.011 20 0 CBADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC001331759580 886961872 /nfs/dbraw/zinc/96/18/72/886961872.db2.gz OWIOCMRYJTWKFP-JTQLQIEISA-N 2 2 258.347 -0.675 20 0 CBADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC001331759580 886961882 /nfs/dbraw/zinc/96/18/82/886961882.db2.gz OWIOCMRYJTWKFP-JTQLQIEISA-N 2 2 258.347 -0.675 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](CO)[NH2+]CCCF ZINC001331818447 886997653 /nfs/dbraw/zinc/99/76/53/886997653.db2.gz GUXIQTYEZCTOJH-JTQLQIEISA-N 2 2 272.324 -0.313 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@H](CO)[NH2+]CC1CCC1 ZINC001331843118 887009302 /nfs/dbraw/zinc/00/93/02/887009302.db2.gz SWOPJQGRAGGNJV-GFCCVEGCSA-N 2 2 266.345 -0.250 20 0 CBADLP CC(=O)N1C[C@@H]2C[N@@H+](C[C@@H]3C[NH2+]CCO3)C[C@@H]2C1 ZINC001331933060 887052149 /nfs/dbraw/zinc/05/21/49/887052149.db2.gz LPNAIXWSBMJANJ-XQQFMLRXSA-N 2 2 253.346 -0.615 20 0 CBADLP CC(=O)N1C[C@@H]2C[N@H+](C[C@@H]3C[NH2+]CCO3)C[C@@H]2C1 ZINC001331933060 887052160 /nfs/dbraw/zinc/05/21/60/887052160.db2.gz LPNAIXWSBMJANJ-XQQFMLRXSA-N 2 2 253.346 -0.615 20 0 CBADLP C[C@H]1C[C@H]([NH2+]CCOCCO)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001332026350 887086552 /nfs/dbraw/zinc/08/65/52/887086552.db2.gz JZLUWUONHHRKRN-AAEUAGOBSA-N 2 2 296.371 -0.460 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC1(CO)CC[NH+](CCO)CC1 ZINC001447729812 913111886 /nfs/dbraw/zinc/11/18/86/913111886.db2.gz NDFOUERVCPCZTK-UHFFFAOYSA-N 2 2 296.371 -0.804 20 0 CBADLP O=S1(=O)C[C@@H]2CC[N@H+](C[C@@H]3CC[NH2+]C3)C[C@@H]2C1 ZINC001332233441 887164511 /nfs/dbraw/zinc/16/45/11/887164511.db2.gz XJBMTGONGMAGMY-GRYCIOLGSA-N 2 2 258.387 -0.038 20 0 CBADLP O=S1(=O)C[C@@H]2CC[N@@H+](C[C@@H]3CC[NH2+]C3)C[C@@H]2C1 ZINC001332233441 887164520 /nfs/dbraw/zinc/16/45/20/887164520.db2.gz XJBMTGONGMAGMY-GRYCIOLGSA-N 2 2 258.387 -0.038 20 0 CBADLP CN(C(=O)C(N)=O)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001332440474 887282942 /nfs/dbraw/zinc/28/29/42/887282942.db2.gz OFHSZHWUCWYWLP-NSHDSACASA-N 2 2 268.361 -0.901 20 0 CBADLP CN(C(=O)C(N)=O)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001332440474 887282952 /nfs/dbraw/zinc/28/29/52/887282952.db2.gz OFHSZHWUCWYWLP-NSHDSACASA-N 2 2 268.361 -0.901 20 0 CBADLP [NH3+]CCCCNS(=O)(=O)CCC[NH+]1CCOCC1 ZINC001332515449 887333934 /nfs/dbraw/zinc/33/39/34/887333934.db2.gz NLHYOLHSTQLZQZ-UHFFFAOYSA-N 2 2 279.406 -0.633 20 0 CBADLP C[C@H]([NH3+])[C@H]1CN(C(=O)NCc2c[nH+]cn2C)CCO1 ZINC001332558252 887356382 /nfs/dbraw/zinc/35/63/82/887356382.db2.gz USHNOWKDMRECDQ-GXSJLCMTSA-N 2 2 267.333 -0.322 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NCC[N@H+](C)CCOCCO ZINC001333503789 887666470 /nfs/dbraw/zinc/66/64/70/887666470.db2.gz FESULUXDOOJTQA-UHFFFAOYSA-N 2 2 284.360 -0.981 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NCC[N@@H+](C)CCOCCO ZINC001333503789 887666475 /nfs/dbraw/zinc/66/64/75/887666475.db2.gz FESULUXDOOJTQA-UHFFFAOYSA-N 2 2 284.360 -0.981 20 0 CBADLP CC(=O)N1CCC[C@@H](C[NH2+][C@H]2C[NH2+]CCOC2)C1 ZINC001333597959 887711035 /nfs/dbraw/zinc/71/10/35/887711035.db2.gz SAPQEPQWNWWRRD-STQMWFEESA-N 2 2 255.362 -0.177 20 0 CBADLP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCCc1cn(C)c[nH+]1 ZINC001333914925 887805792 /nfs/dbraw/zinc/80/57/92/887805792.db2.gz VQPLCTAALJAHJZ-ZJUUUORDSA-N 2 2 279.344 -0.973 20 0 CBADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@H]3CC(=O)N3)CC2)CC1 ZINC001333925736 887810612 /nfs/dbraw/zinc/81/06/12/887810612.db2.gz YBVQVRLNRRCHHW-ZDUSSCGKSA-N 2 2 294.399 -0.450 20 0 CBADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1C[C@@H](O)COC1CCOCC1 ZINC001334339648 887927750 /nfs/dbraw/zinc/92/77/50/887927750.db2.gz XOZFSGJCQBCQJU-GRYCIOLGSA-N 2 2 258.362 -0.036 20 0 CBADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1C[C@@H](O)COC1CCOCC1 ZINC001334339648 887927756 /nfs/dbraw/zinc/92/77/56/887927756.db2.gz XOZFSGJCQBCQJU-GRYCIOLGSA-N 2 2 258.362 -0.036 20 0 CBADLP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1nnc2c(=O)n(C)ccn12 ZINC001334391547 887949566 /nfs/dbraw/zinc/94/95/66/887949566.db2.gz VGWSROKGIIUEDO-RKDXNWHRSA-N 2 2 264.333 -0.357 20 0 CBADLP O=C(NCCCN1CC[NH2+]CC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001334840207 888341838 /nfs/dbraw/zinc/34/18/38/888341838.db2.gz QGOIMHPAFCZDBX-CYBMUJFWSA-N 2 2 291.399 -0.143 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC[C@H](C)[N@H+](C)[C@@H]1CCNC1=O ZINC001448145035 913236679 /nfs/dbraw/zinc/23/66/79/913236679.db2.gz GROATDMJJATYPU-CMPLNLGQSA-N 2 2 293.371 -0.483 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC[C@H](C)[N@@H+](C)[C@@H]1CCNC1=O ZINC001448145035 913236695 /nfs/dbraw/zinc/23/66/95/913236695.db2.gz GROATDMJJATYPU-CMPLNLGQSA-N 2 2 293.371 -0.483 20 0 CBADLP Cn1c[nH+]c(CCNC(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c1 ZINC001335207435 888447546 /nfs/dbraw/zinc/44/75/46/888447546.db2.gz QJISUAJDBXBUEB-MVWJERBFSA-N 2 2 291.355 -0.912 20 0 CBADLP CC(C)([NH3+])C[NH+]1CCC(n2cc(C(N)=O)nn2)CC1 ZINC001335382048 888519330 /nfs/dbraw/zinc/51/93/30/888519330.db2.gz MMDVQHQDPXMXJA-UHFFFAOYSA-N 2 2 266.349 -0.249 20 0 CBADLP C[C@H]1CC[N@H+](CC[NH2+]C[C@@H](O)C2(O)CCOCC2)C1 ZINC001335445436 888534758 /nfs/dbraw/zinc/53/47/58/888534758.db2.gz RVZCMGNLUYKPQN-QWHCGFSZSA-N 2 2 272.389 -0.180 20 0 CBADLP C[C@H]1CC[N@@H+](CC[NH2+]C[C@@H](O)C2(O)CCOCC2)C1 ZINC001335445436 888534766 /nfs/dbraw/zinc/53/47/66/888534766.db2.gz RVZCMGNLUYKPQN-QWHCGFSZSA-N 2 2 272.389 -0.180 20 0 CBADLP C[C@H]1CCN(CC[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)C1 ZINC001335986733 888666035 /nfs/dbraw/zinc/66/60/35/888666035.db2.gz PQIZSNXTXUZXBS-GJZGRUSLSA-N 2 2 284.448 -0.474 20 0 CBADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H](C)C[NH3+] ZINC001336125141 888700998 /nfs/dbraw/zinc/70/09/98/888700998.db2.gz QIFPWZIKQKGXHB-GHMZBOCLSA-N 2 2 258.366 -0.256 20 0 CBADLP C[NH2+]CCNC(=O)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC001336586301 888803314 /nfs/dbraw/zinc/80/33/14/888803314.db2.gz HBCRRWPAYWCYCO-UHFFFAOYSA-N 2 2 299.400 -0.844 20 0 CBADLP C[C@H](NC(=O)C[NH+]1CCCC1)C1C[NH+]([C@H]2CCNC2=O)C1 ZINC001448365557 913282120 /nfs/dbraw/zinc/28/21/20/913282120.db2.gz WBAOYPNPWXOBBB-AAEUAGOBSA-N 2 2 294.399 -0.593 20 0 CBADLP Cn1c[nH+]c(CCNC(=O)C(=O)N2CCC[C@H]([NH3+])C2)c1 ZINC001336631277 888824597 /nfs/dbraw/zinc/82/45/97/888824597.db2.gz MDVDVGZEGLJRCS-JTQLQIEISA-N 2 2 279.344 -0.972 20 0 CBADLP [NH3+]C1(CNC(=O)C(=O)N2CCC(n3cc[nH+]c3)CC2)CC1 ZINC001336678142 888842682 /nfs/dbraw/zinc/84/26/82/888842682.db2.gz XTFNVWKRACSBQA-UHFFFAOYSA-N 2 2 291.355 -0.346 20 0 CBADLP CN(C)[C@@H](C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1)C1CC1 ZINC001336738938 888862840 /nfs/dbraw/zinc/86/28/40/888862840.db2.gz IXEKGUZXAVEUOD-GJZGRUSLSA-N 2 2 284.448 -0.476 20 0 CBADLP COCCOC[C@H](O)C[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC001336779917 888877884 /nfs/dbraw/zinc/87/78/84/888877884.db2.gz LANOPKOCLPEWIE-QWHCGFSZSA-N 2 2 260.378 -0.058 20 0 CBADLP COCCOC[C@H](O)C[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC001336779917 888877897 /nfs/dbraw/zinc/87/78/97/888877897.db2.gz LANOPKOCLPEWIE-QWHCGFSZSA-N 2 2 260.378 -0.058 20 0 CBADLP CSC[C@H](O)C[NH2+][C@@H](C)[C@H]1C[N@H+](C)CCN1C ZINC001336781717 888880955 /nfs/dbraw/zinc/88/09/55/888880955.db2.gz VFKXAMAHZGMNIJ-QJPTWQEYSA-N 2 2 261.435 -0.066 20 0 CBADLP CSC[C@H](O)C[NH2+][C@@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC001336781717 888880964 /nfs/dbraw/zinc/88/09/64/888880964.db2.gz VFKXAMAHZGMNIJ-QJPTWQEYSA-N 2 2 261.435 -0.066 20 0 CBADLP C[NH+](C)[C@H]1C[C@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)C1(C)C ZINC001336838436 888897772 /nfs/dbraw/zinc/89/77/72/888897772.db2.gz DQEYOXQLHNXBET-ILXRZTDVSA-N 3 2 298.475 -0.087 20 0 CBADLP C[NH+](C)[C@@H]1C[C@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)C1(C)C ZINC001336838450 888898229 /nfs/dbraw/zinc/89/82/29/888898229.db2.gz DQEYOXQLHNXBET-QLFBSQMISA-N 3 2 298.475 -0.087 20 0 CBADLP C[NH2+][C@@H]1CCN(C(=O)NCC[NH+]2CCC([NH3+])CC2)C1 ZINC001336941507 888928185 /nfs/dbraw/zinc/92/81/85/888928185.db2.gz LHHKSXQMXFGJCW-GFCCVEGCSA-N 3 2 269.393 -0.587 20 0 CBADLP COC(=O)[C@@H]1CN(c2cc[nH+]c(N)n2)CC[N@H+](C)C1 ZINC001337192988 888974777 /nfs/dbraw/zinc/97/47/77/888974777.db2.gz QGWIMLDQBCGPHV-VIFPVBQESA-N 2 2 265.317 -0.400 20 0 CBADLP COC(=O)[C@@H]1CN(c2cc[nH+]c(N)n2)CC[N@@H+](C)C1 ZINC001337192988 888974790 /nfs/dbraw/zinc/97/47/90/888974790.db2.gz QGWIMLDQBCGPHV-VIFPVBQESA-N 2 2 265.317 -0.400 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)NCCCn2cccn2)CC1 ZINC001338437109 889159250 /nfs/dbraw/zinc/15/92/50/889159250.db2.gz WEYJFWPSSZVDTG-UHFFFAOYSA-N 2 2 294.403 -0.005 20 0 CBADLP C[C@H](C[NH3+])CNC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001338627511 889183739 /nfs/dbraw/zinc/18/37/39/889183739.db2.gz VESNADAQIOMBMM-SNVBAGLBSA-N 3 2 257.382 -0.697 20 0 CBADLP CC(C)(C[NH3+])NC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001338688460 889192301 /nfs/dbraw/zinc/19/23/01/889192301.db2.gz UAGHVQWFDKFXCJ-UHFFFAOYSA-N 3 2 257.382 -0.554 20 0 CBADLP C[C@]1(C(=O)NCCCn2cc[nH+]c2)C[C@@H](O)C[NH2+]1 ZINC001340011399 889362591 /nfs/dbraw/zinc/36/25/91/889362591.db2.gz IHUQVFKQXBAPHE-ZYHUDNBSSA-N 2 2 252.318 -0.498 20 0 CBADLP C[C@@]1(C(=O)NCCCn2cc[nH+]c2)C[C@@H](O)C[NH2+]1 ZINC001340011397 889362829 /nfs/dbraw/zinc/36/28/29/889362829.db2.gz IHUQVFKQXBAPHE-PWSUYJOCSA-N 2 2 252.318 -0.498 20 0 CBADLP Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)[C@H](C)[NH3+])C2 ZINC001340537829 889446327 /nfs/dbraw/zinc/44/63/27/889446327.db2.gz CVCDHUVNZSYOLP-WPRPVWTQSA-N 2 2 266.345 -0.495 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C1(C[NH3+])CC(O)C1 ZINC001340822143 889492036 /nfs/dbraw/zinc/49/20/36/889492036.db2.gz MSXYAUZYCSOMCX-GRZMOONWSA-N 2 2 252.318 -0.512 20 0 CBADLP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001341056725 889536012 /nfs/dbraw/zinc/53/60/12/889536012.db2.gz OKMJDHJHYGYMFV-SDEBIZQBSA-N 3 2 280.416 -0.063 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)C[NH2+]CC2CC2)CC1 ZINC001341056439 889537631 /nfs/dbraw/zinc/53/76/31/889537631.db2.gz JHQXATUHQRUMAY-UHFFFAOYSA-N 3 2 254.378 -0.475 20 0 CBADLP O=C(/C=C/C[NH+]1CCOCC1)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001341421930 889594515 /nfs/dbraw/zinc/59/45/15/889594515.db2.gz GIAPRKQHXLJUCW-VYSBPOKJSA-N 2 2 265.357 -0.116 20 0 CBADLP C[C@]1(C(=O)N2CC[NH+](C3CC3)CC2)C[C@H](O)C[NH2+]1 ZINC001341552458 889620733 /nfs/dbraw/zinc/62/07/33/889620733.db2.gz MUCCGQWQVFEEPR-WCQYABFASA-N 2 2 253.346 -0.594 20 0 CBADLP [NH3+]CCNCC(=O)NCC[NH+]1Cc2ccccc2C1 ZINC001341570401 889622779 /nfs/dbraw/zinc/62/27/79/889622779.db2.gz YQDZRDVQUSUDDR-UHFFFAOYSA-N 2 2 262.357 -0.333 20 0 CBADLP COC(=O)C1(C(=O)NCC[NH+]2CCC([NH3+])CC2)CC1 ZINC001341690495 889649730 /nfs/dbraw/zinc/64/97/30/889649730.db2.gz MMSBBDFUDHWSTQ-UHFFFAOYSA-N 2 2 269.345 -0.521 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)CC1CC([NH3+])C1 ZINC001341813736 889668342 /nfs/dbraw/zinc/66/83/42/889668342.db2.gz KGTIERWOULKNMN-UHFFFAOYSA-N 2 2 255.362 -0.096 20 0 CBADLP Cn1c[nH+]cc1C1CCN(C(=O)C[C@H](O)C[NH3+])CC1 ZINC001342148782 889719669 /nfs/dbraw/zinc/71/96/69/889719669.db2.gz CSOUAQIADHSVQR-NSHDSACASA-N 2 2 266.345 -0.164 20 0 CBADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3C[NH2+]C[C@@H]3O)ccn12 ZINC001342175657 889726457 /nfs/dbraw/zinc/72/64/57/889726457.db2.gz JMSBHQUGEOIGBC-MNOVXSKESA-N 2 2 260.297 -0.295 20 0 CBADLP C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001342265561 889741073 /nfs/dbraw/zinc/74/10/73/889741073.db2.gz BPBZOKNFWWENGA-MNOVXSKESA-N 2 2 266.345 -0.516 20 0 CBADLP C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001342265560 889741983 /nfs/dbraw/zinc/74/19/83/889741983.db2.gz BPBZOKNFWWENGA-GHMZBOCLSA-N 2 2 266.345 -0.516 20 0 CBADLP C[C@@H]1C[NH2+]C[C@H]1NC(=O)/C=C/C[NH+]1CCOCC1 ZINC001342417092 889770352 /nfs/dbraw/zinc/77/03/52/889770352.db2.gz VKVQQIDXBWVVMM-JGLYPNHGSA-N 2 2 253.346 -0.401 20 0 CBADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)C[NH2+]C1CC1 ZINC001342609376 889801124 /nfs/dbraw/zinc/80/11/24/889801124.db2.gz SMWCGQLCJYKYOY-NSHDSACASA-N 2 2 255.362 -0.035 20 0 CBADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)C[NH2+]C1CC1 ZINC001342609373 889801478 /nfs/dbraw/zinc/80/14/78/889801478.db2.gz SMWCGQLCJYKYOY-LLVKDONJSA-N 2 2 255.362 -0.035 20 0 CBADLP C[C@H](CN(C)C(=O)CCCn1cc[nH+]c1)[NH2+]CC(N)=O ZINC001448790079 913383210 /nfs/dbraw/zinc/38/32/10/913383210.db2.gz HHVHFZHJFXUQBH-LLVKDONJSA-N 2 2 281.360 -0.415 20 0 CBADLP [NH3+][C@@H](C(=O)N1CCNCC[NH2+]CC1)c1ccc(F)cc1F ZINC001342705761 889818670 /nfs/dbraw/zinc/81/86/70/889818670.db2.gz YWJUECZHIFXWNW-CYBMUJFWSA-N 2 2 298.337 -0.014 20 0 CBADLP C[N@@H+]1CCN(C(=O)c2coc(C[NH3+])c2)[C@H](CO)C1 ZINC001343493600 889923386 /nfs/dbraw/zinc/92/33/86/889923386.db2.gz YVGBPIQTQHZNKC-JTQLQIEISA-N 2 2 253.302 -0.513 20 0 CBADLP C[N@H+]1CCN(C(=O)c2coc(C[NH3+])c2)[C@H](CO)C1 ZINC001343493600 889923392 /nfs/dbraw/zinc/92/33/92/889923392.db2.gz YVGBPIQTQHZNKC-JTQLQIEISA-N 2 2 253.302 -0.513 20 0 CBADLP C[NH+]1CCC(CCO)(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001343726430 889955756 /nfs/dbraw/zinc/95/57/56/889955756.db2.gz RMTAIMVGAIHPNW-UHFFFAOYSA-N 2 2 266.345 -0.154 20 0 CBADLP O=C(NC[C@@H]1COCC[NH2+]1)[C@H]1[NH2+]CCc2occc21 ZINC001344356183 890017085 /nfs/dbraw/zinc/01/70/85/890017085.db2.gz BGBSUCCUGBJGIM-SKDRFNHKSA-N 2 2 265.313 -0.429 20 0 CBADLP C[NH+]1CCN(C[C@H](O)C[NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC001345607201 890146457 /nfs/dbraw/zinc/14/64/57/890146457.db2.gz VGVYOJQEVIJMIW-MRXNPFEDSA-N 3 2 296.459 -0.189 20 0 CBADLP [NH3+]C1(C[NH2+]CC(=O)NCC(=O)N2CCCC2)CCC1 ZINC001346017713 890194486 /nfs/dbraw/zinc/19/44/86/890194486.db2.gz OOHWUCOPTLFEMF-UHFFFAOYSA-N 2 2 268.361 -0.804 20 0 CBADLP Cc1cn(C(C)(C)C(=O)NC[C@H](CO)[NH2+]CCF)c[nH+]1 ZINC001448858727 913428594 /nfs/dbraw/zinc/42/85/94/913428594.db2.gz DRSRMXDXWJCXTH-LLVKDONJSA-N 2 2 286.351 -0.037 20 0 CBADLP Cc1cc(C[NH3+])oc1C(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC001346229660 890245557 /nfs/dbraw/zinc/24/55/57/890245557.db2.gz VSDGQZOWFHVLPX-SNVBAGLBSA-N 2 2 267.329 -0.205 20 0 CBADLP Cc1cc(C[NH3+])oc1C(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC001346229660 890245575 /nfs/dbraw/zinc/24/55/75/890245575.db2.gz VSDGQZOWFHVLPX-SNVBAGLBSA-N 2 2 267.329 -0.205 20 0 CBADLP O[C@@H](C[NH2+][C@H]1Cc2c[nH+]cn2C1)C1(O)CCOCC1 ZINC001346340108 890270163 /nfs/dbraw/zinc/27/01/63/890270163.db2.gz OPOGEEOGNORROJ-JQWIXIFHSA-N 2 2 267.329 -0.700 20 0 CBADLP Cc1cn(C(C)(C)C(=O)NC[C@@H](CO)[NH2+]C[C@H](C)O)c[nH+]1 ZINC001448867148 913434839 /nfs/dbraw/zinc/43/48/39/913434839.db2.gz SVCJBPDLWUDLFF-RYUDHWBXSA-N 2 2 298.387 -0.626 20 0 CBADLP C[C@H](O)C[NH2+][C@H](CO)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001448873444 913435732 /nfs/dbraw/zinc/43/57/32/913435732.db2.gz HBPRKNIRNKYCDU-ONGXEEELSA-N 2 2 292.339 -0.376 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)N2CCC[NH2+]CC2)CC1 ZINC001346569182 890325458 /nfs/dbraw/zinc/32/54/58/890325458.db2.gz FLCPLXHXEPQMSE-UHFFFAOYSA-N 3 2 269.393 -0.586 20 0 CBADLP C[N@@H+]1CC[C@H](C(=O)NC[C@H](CO)[NH2+]Cc2ccon2)C1 ZINC001448959475 913471212 /nfs/dbraw/zinc/47/12/12/913471212.db2.gz VNNNTYLZXHRYHH-CMPLNLGQSA-N 2 2 282.344 -0.807 20 0 CBADLP C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)[NH2+]Cc2ccon2)C1 ZINC001448959475 913471217 /nfs/dbraw/zinc/47/12/17/913471217.db2.gz VNNNTYLZXHRYHH-CMPLNLGQSA-N 2 2 282.344 -0.807 20 0 CBADLP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@@H]1C ZINC001448973038 913474114 /nfs/dbraw/zinc/47/41/14/913474114.db2.gz ATMAQBMLVOLQNH-NXEZZACHSA-N 2 2 279.344 -0.723 20 0 CBADLP CNC(=O)C[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@@H]1C ZINC001448971657 913474833 /nfs/dbraw/zinc/47/48/33/913474833.db2.gz JSFBBYFMDCIMMB-NEPJUHHUSA-N 2 2 293.371 -0.402 20 0 CBADLP COCCOCC[NH+]1CCN(C(=O)[C@@H]2[NH2+]C[C@@H]3C[C@@H]32)CC1 ZINC001348837806 890710794 /nfs/dbraw/zinc/71/07/94/890710794.db2.gz NJBPCMIZALJITE-MELADBBJSA-N 2 2 297.399 -0.599 20 0 CBADLP C[C@@]1(C[NH3+])CCN(C(=O)c2n[nH]c3c2C[NH2+]CC3)C1 ZINC001349214435 890776288 /nfs/dbraw/zinc/77/62/88/890776288.db2.gz FYKYNRNAZJQFML-ZDUSSCGKSA-N 2 2 263.345 -0.134 20 0 CBADLP C[N@H+](CC(=O)NCCNC(=O)Cn1cc[nH+]c1)C1CCC1 ZINC001349200742 890777224 /nfs/dbraw/zinc/77/72/24/890777224.db2.gz JGAIWFVDPURJBF-UHFFFAOYSA-N 2 2 293.371 -0.400 20 0 CBADLP C[N@@H+](CC(=O)NCCNC(=O)Cn1cc[nH+]c1)C1CCC1 ZINC001349200742 890777234 /nfs/dbraw/zinc/77/72/34/890777234.db2.gz JGAIWFVDPURJBF-UHFFFAOYSA-N 2 2 293.371 -0.400 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)CC1([NH3+])CCC1 ZINC001349362485 890802863 /nfs/dbraw/zinc/80/28/63/890802863.db2.gz MLEAYHJZZGNLRP-JTQLQIEISA-N 2 2 269.345 -0.379 20 0 CBADLP CC[C@H](C(=O)NCCNC(=O)Cc1c[nH+]cn1C)[NH+](C)C ZINC001349378542 890803404 /nfs/dbraw/zinc/80/34/04/890803404.db2.gz GTPJYNMOZZFZRX-GFCCVEGCSA-N 2 2 295.387 -0.465 20 0 CBADLP C[C@@H](CNC(=O)[C@@H](N)CC[NH+](C)C)Cn1cc[nH+]c1 ZINC001349656718 890861760 /nfs/dbraw/zinc/86/17/60/890861760.db2.gz RXIXMQOLJMWYJS-RYUDHWBXSA-N 2 2 267.377 -0.086 20 0 CBADLP C[NH+]1CCN(C2CC[NH+]([C@H]3CCC(=O)NC3=O)CC2)CC1 ZINC001349689723 890868442 /nfs/dbraw/zinc/86/84/42/890868442.db2.gz PLSIUSGOBVALRN-ZDUSSCGKSA-N 2 2 294.399 -0.497 20 0 CBADLP CC[C@H]([NH2+]C)C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001350405746 890978821 /nfs/dbraw/zinc/97/88/21/890978821.db2.gz UTMAZVSQRGTROE-ZJUUUORDSA-N 2 2 256.350 -0.950 20 0 CBADLP CC[C@H]([NH2+]C)C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001350405746 890978829 /nfs/dbraw/zinc/97/88/29/890978829.db2.gz UTMAZVSQRGTROE-ZJUUUORDSA-N 2 2 256.350 -0.950 20 0 CBADLP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)CCc1[nH]cc[nH+]1 ZINC001351632580 891165976 /nfs/dbraw/zinc/16/59/76/891165976.db2.gz XHYURBBASDVMGG-NSHDSACASA-N 2 2 293.371 -0.202 20 0 CBADLP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)CCc1[nH]cc[nH+]1 ZINC001351632580 891165981 /nfs/dbraw/zinc/16/59/81/891165981.db2.gz XHYURBBASDVMGG-NSHDSACASA-N 2 2 293.371 -0.202 20 0 CBADLP C[C@@H](O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001449203231 913544201 /nfs/dbraw/zinc/54/42/01/913544201.db2.gz XXKRYZAOYRPDLP-DGCLKSJQSA-N 2 2 298.387 -0.526 20 0 CBADLP C[C@@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001449203231 913544206 /nfs/dbraw/zinc/54/42/06/913544206.db2.gz XXKRYZAOYRPDLP-DGCLKSJQSA-N 2 2 298.387 -0.526 20 0 CBADLP C[C@@H](O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001449203231 913544211 /nfs/dbraw/zinc/54/42/11/913544211.db2.gz XXKRYZAOYRPDLP-DGCLKSJQSA-N 2 2 298.387 -0.526 20 0 CBADLP C[C@@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001449203231 913544216 /nfs/dbraw/zinc/54/42/16/913544216.db2.gz XXKRYZAOYRPDLP-DGCLKSJQSA-N 2 2 298.387 -0.526 20 0 CBADLP C[C@@H]1C[N@H+](CCO)CCN1CCc1c[nH+]cn1C ZINC001352889590 891315032 /nfs/dbraw/zinc/31/50/32/891315032.db2.gz JUTRRVPYJXENGM-GFCCVEGCSA-N 2 2 252.362 -0.039 20 0 CBADLP C[C@@H]1C[N@@H+](CCO)CCN1CCc1c[nH+]cn1C ZINC001352889590 891315048 /nfs/dbraw/zinc/31/50/48/891315048.db2.gz JUTRRVPYJXENGM-GFCCVEGCSA-N 2 2 252.362 -0.039 20 0 CBADLP CN(C[C@H](O)C[N@H+](C)CCCO)C(=O)Cc1c[nH+]c[nH]1 ZINC001449221393 913545985 /nfs/dbraw/zinc/54/59/85/913545985.db2.gz BEVLTBPCPMFCPW-GFCCVEGCSA-N 2 2 284.360 -0.914 20 0 CBADLP CN(C[C@H](O)C[N@@H+](C)CCCO)C(=O)Cc1c[nH+]c[nH]1 ZINC001449221393 913545997 /nfs/dbraw/zinc/54/59/97/913545997.db2.gz BEVLTBPCPMFCPW-GFCCVEGCSA-N 2 2 284.360 -0.914 20 0 CBADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@H](C)[NH3+] ZINC001353432370 891426030 /nfs/dbraw/zinc/42/60/30/891426030.db2.gz ZVHLRKATYALKSQ-QWRGUYRKSA-N 2 2 258.366 -0.256 20 0 CBADLP C[C@@H]1C[NH2+]C[C@H]1NC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001353455951 891428171 /nfs/dbraw/zinc/42/81/71/891428171.db2.gz IGGSAIYFNRSVIU-ZYHUDNBSSA-N 3 2 269.393 -0.683 20 0 CBADLP CCOCC[NH+]1CCN(C(=O)C2(C[NH3+])CC(O)C2)CC1 ZINC001353469592 891430962 /nfs/dbraw/zinc/43/09/62/891430962.db2.gz SBAAKYUVQDTBGF-UHFFFAOYSA-N 2 2 285.388 -0.733 20 0 CBADLP COCC[NH+]1CCN(C(=O)C23CC(C2)C[NH2+]3)CC1 ZINC001353458730 891431063 /nfs/dbraw/zinc/43/10/63/891431063.db2.gz FIMAOUBQNQBFQE-UHFFFAOYSA-N 2 2 253.346 -0.471 20 0 CBADLP CC(C)N(CC[N@H+](C)CC(N)=O)C(=O)C[NH+]1CCCC1 ZINC001449282688 913557896 /nfs/dbraw/zinc/55/78/96/913557896.db2.gz ZKOVMRYEINPJAI-UHFFFAOYSA-N 2 2 284.404 -0.264 20 0 CBADLP C[NH2+]C1CC(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001353534326 891444125 /nfs/dbraw/zinc/44/41/25/891444125.db2.gz FPPWPWQLWXKLAJ-UNXYVOJBSA-N 2 2 255.362 -0.179 20 0 CBADLP C[NH2+]C1CC(C(=O)NCC[N@H+]2CCOC[C@@H]2C)C1 ZINC001353534326 891444128 /nfs/dbraw/zinc/44/41/28/891444128.db2.gz FPPWPWQLWXKLAJ-UNXYVOJBSA-N 2 2 255.362 -0.179 20 0 CBADLP [NH3+]Cc1nc(CC(=O)NCC(F)(F)C[NH3+])cs1 ZINC001353613399 891453852 /nfs/dbraw/zinc/45/38/52/891453852.db2.gz NUSVFFNHRXSNPG-UHFFFAOYSA-N 2 2 264.301 -0.146 20 0 CBADLP C[C@@H](O)C[N@@H+]1CCN(c2cc[nH+]c(N)n2)[C@H](C)C1 ZINC001354167922 891526106 /nfs/dbraw/zinc/52/61/06/891526106.db2.gz RHFNEVVDEYRCLL-NXEZZACHSA-N 2 2 251.334 -0.050 20 0 CBADLP C[C@@H](O)C[N@H+]1CCN(c2cc[nH+]c(N)n2)[C@H](C)C1 ZINC001354167922 891526115 /nfs/dbraw/zinc/52/61/15/891526115.db2.gz RHFNEVVDEYRCLL-NXEZZACHSA-N 2 2 251.334 -0.050 20 0 CBADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC[C@H]1CNC(=O)C1 ZINC001354232691 891540670 /nfs/dbraw/zinc/54/06/70/891540670.db2.gz BIFCAZGHIQKWNY-IJLUTSLNSA-N 2 2 255.362 -0.131 20 0 CBADLP [NH3+][C@@H](CC(=O)N1CCC[C@H]([NH2+]CCO)C1)C(F)F ZINC001354438759 891581013 /nfs/dbraw/zinc/58/10/13/891581013.db2.gz ZINSPGPWSWVZDD-IUCAKERBSA-N 2 2 265.304 -0.458 20 0 CBADLP COc1ccccc1[C@@H]([NH3+])C(=O)N1CCNCC[NH2+]CC1 ZINC001355028881 891637722 /nfs/dbraw/zinc/63/77/22/891637722.db2.gz URRDKJSPJZQOIH-CQSZACIVSA-N 2 2 292.383 -0.284 20 0 CBADLP CN(C(=O)CCCn1cc[nH+]c1)C1CC([NH2+]CC(N)=O)C1 ZINC001449408466 913579637 /nfs/dbraw/zinc/57/96/37/913579637.db2.gz YWONIOKWIZDNIF-UHFFFAOYSA-N 2 2 293.371 -0.272 20 0 CBADLP Cc1ncoc1C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001357263380 891865487 /nfs/dbraw/zinc/86/54/87/891865487.db2.gz ZZAZANNQJKRKNY-LBPRGKRZSA-N 2 2 268.361 -0.319 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)[C@@H]2[C@@H]3CC[NH2+]C[C@@H]32)CCO1 ZINC001357385617 891883710 /nfs/dbraw/zinc/88/37/10/891883710.db2.gz XKZHZMYAWVPUDK-QNWHQSFQSA-N 2 2 267.373 -0.321 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)[C@@H]2[C@@H]3CC[NH2+]C[C@@H]32)CCO1 ZINC001357385617 891883720 /nfs/dbraw/zinc/88/37/20/891883720.db2.gz XKZHZMYAWVPUDK-QNWHQSFQSA-N 2 2 267.373 -0.321 20 0 CBADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NC/C=C/C[NH3+] ZINC001357483553 891904845 /nfs/dbraw/zinc/90/48/45/891904845.db2.gz MAPVUKXYAHPFOF-AAOUONPWSA-N 2 2 270.377 -0.089 20 0 CBADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)N(C)CC[NH3+] ZINC001357581053 891913280 /nfs/dbraw/zinc/91/32/80/891913280.db2.gz ASWAMFCVAQGMQU-NSHDSACASA-N 2 2 258.366 -0.303 20 0 CBADLP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001357583508 891916046 /nfs/dbraw/zinc/91/60/46/891916046.db2.gz VIQPNYZQIMBPBJ-PWSUYJOCSA-N 3 2 269.393 -0.459 20 0 CBADLP O=C(NC[C@H]1C[NH2+]CCO1)[C@H]1CCc2c[nH+]cn2C1 ZINC001357618278 891921510 /nfs/dbraw/zinc/92/15/10/891921510.db2.gz DZMQFLUAWJFICA-CMPLNLGQSA-N 2 2 264.329 -0.450 20 0 CBADLP [NH3+]CCCOCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001357937116 891946367 /nfs/dbraw/zinc/94/63/67/891946367.db2.gz ABMWIDANPJWSNV-LLVKDONJSA-N 2 2 266.345 -0.073 20 0 CBADLP C[C@@H](NC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O)[C@H]1C[NH+](C)CCO1 ZINC001362104662 892434971 /nfs/dbraw/zinc/43/49/71/892434971.db2.gz MMUTVKWTUXJXLU-AAVRWANBSA-N 2 2 299.415 -0.333 20 0 CBADLP C[C@@H](NC(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O)[C@H]1C[NH+](C)CCO1 ZINC001362104662 892434978 /nfs/dbraw/zinc/43/49/78/892434978.db2.gz MMUTVKWTUXJXLU-AAVRWANBSA-N 2 2 299.415 -0.333 20 0 CBADLP C[C@@H](NC(=O)C[NH+](C)[C@@H]1CCC[C@H]1O)[C@H]1C[N@H+](C)CCO1 ZINC001362104662 892434987 /nfs/dbraw/zinc/43/49/87/892434987.db2.gz MMUTVKWTUXJXLU-AAVRWANBSA-N 2 2 299.415 -0.333 20 0 CBADLP C[C@@H](NC(=O)C[NH+](C)[C@@H]1CCC[C@H]1O)[C@H]1C[N@@H+](C)CCO1 ZINC001362104662 892434994 /nfs/dbraw/zinc/43/49/94/892434994.db2.gz MMUTVKWTUXJXLU-AAVRWANBSA-N 2 2 299.415 -0.333 20 0 CBADLP CC[N@H+]1CC[C@@H]1C(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC001450605701 913720231 /nfs/dbraw/zinc/72/02/31/913720231.db2.gz RDCDDJCLRZBVNC-VXGBXAGGSA-N 2 2 255.362 -0.347 20 0 CBADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC001362827333 893080703 /nfs/dbraw/zinc/08/07/03/893080703.db2.gz YRMAKOIVOBXYQP-JTNHKYCSSA-N 2 2 278.356 -0.294 20 0 CBADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC001362827333 893080724 /nfs/dbraw/zinc/08/07/24/893080724.db2.gz YRMAKOIVOBXYQP-JTNHKYCSSA-N 2 2 278.356 -0.294 20 0 CBADLP Cn1cc[nH+]c1CCNC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O ZINC001362877203 893131625 /nfs/dbraw/zinc/13/16/25/893131625.db2.gz MNZPDFXHMVGHGQ-VXGBXAGGSA-N 2 2 280.372 -0.076 20 0 CBADLP Cn1cc[nH+]c1CCNC(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O ZINC001362877203 893131634 /nfs/dbraw/zinc/13/16/34/893131634.db2.gz MNZPDFXHMVGHGQ-VXGBXAGGSA-N 2 2 280.372 -0.076 20 0 CBADLP C[N@@H+]1CCN(C(=O)CC[NH+]2CC[C@H](F)C2)[C@H](CO)C1 ZINC001363041165 893291656 /nfs/dbraw/zinc/29/16/56/893291656.db2.gz OEOYEFLEFRVOIU-RYUDHWBXSA-N 2 2 273.352 -0.445 20 0 CBADLP C[N@H+]1CCN(C(=O)CC[NH+]2CC[C@H](F)C2)[C@H](CO)C1 ZINC001363041165 893291673 /nfs/dbraw/zinc/29/16/73/893291673.db2.gz OEOYEFLEFRVOIU-RYUDHWBXSA-N 2 2 273.352 -0.445 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@H](F)C2)[C@H](CO)C1 ZINC001363041165 893291687 /nfs/dbraw/zinc/29/16/87/893291687.db2.gz OEOYEFLEFRVOIU-RYUDHWBXSA-N 2 2 273.352 -0.445 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@H](F)C2)[C@H](CO)C1 ZINC001363041165 893291704 /nfs/dbraw/zinc/29/17/04/893291704.db2.gz OEOYEFLEFRVOIU-RYUDHWBXSA-N 2 2 273.352 -0.445 20 0 CBADLP O=C(CCCn1cc[nH+]c1)NC[C@]1(CO)COCC[NH2+]1 ZINC001363171432 893427295 /nfs/dbraw/zinc/42/72/95/893427295.db2.gz HUYSYXCDZAVQJJ-ZDUSSCGKSA-N 2 2 282.344 -0.870 20 0 CBADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC001363212416 893461142 /nfs/dbraw/zinc/46/11/42/893461142.db2.gz QFIAZCDUJYERKQ-IJLUTSLNSA-N 2 2 278.356 -0.294 20 0 CBADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC001363212416 893461155 /nfs/dbraw/zinc/46/11/55/893461155.db2.gz QFIAZCDUJYERKQ-IJLUTSLNSA-N 2 2 278.356 -0.294 20 0 CBADLP CC[N@@H+]1CC[C@@H]1C(=O)N1CC[NH+](C)C[C@H](C(=O)OC)C1 ZINC001363446552 893688576 /nfs/dbraw/zinc/68/85/76/893688576.db2.gz BOEVSBUAWWAPLK-NWDGAFQWSA-N 2 2 283.372 -0.356 20 0 CBADLP CC[N@H+]1CC[C@@H]1C(=O)N1CC[NH+](C)C[C@H](C(=O)OC)C1 ZINC001363446552 893688579 /nfs/dbraw/zinc/68/85/79/893688579.db2.gz BOEVSBUAWWAPLK-NWDGAFQWSA-N 2 2 283.372 -0.356 20 0 CBADLP CC[NH+]1CC[C@@H]1C(=O)N1CC[N@H+](C)C[C@H](C(=O)OC)C1 ZINC001363446552 893688584 /nfs/dbraw/zinc/68/85/84/893688584.db2.gz BOEVSBUAWWAPLK-NWDGAFQWSA-N 2 2 283.372 -0.356 20 0 CBADLP CC[NH+]1CC[C@@H]1C(=O)N1CC[N@@H+](C)C[C@H](C(=O)OC)C1 ZINC001363446552 893688586 /nfs/dbraw/zinc/68/85/86/893688586.db2.gz BOEVSBUAWWAPLK-NWDGAFQWSA-N 2 2 283.372 -0.356 20 0 CBADLP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NCc1c[nH+]c2n1CCC2 ZINC001363569293 893803661 /nfs/dbraw/zinc/80/36/61/893803661.db2.gz GSBVQNSPNUCXNZ-BXUZGUMPSA-N 2 2 278.356 -0.099 20 0 CBADLP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NCc1c[nH+]c2n1CCC2 ZINC001363569293 893803685 /nfs/dbraw/zinc/80/36/85/893803685.db2.gz GSBVQNSPNUCXNZ-BXUZGUMPSA-N 2 2 278.356 -0.099 20 0 CBADLP CC[N@@H+]1CC[C@H]1C(=O)NC[C@@]1(CO)COC[C@@H]2CCC[NH+]21 ZINC001363973205 894120629 /nfs/dbraw/zinc/12/06/29/894120629.db2.gz LBEJFCYVDAOMRZ-KCQAQPDRSA-N 2 2 297.399 -0.578 20 0 CBADLP CC[N@H+]1CC[C@H]1C(=O)NC[C@@]1(CO)COC[C@@H]2CCC[NH+]21 ZINC001363973205 894120638 /nfs/dbraw/zinc/12/06/38/894120638.db2.gz LBEJFCYVDAOMRZ-KCQAQPDRSA-N 2 2 297.399 -0.578 20 0 CBADLP CC[NH+]1CC[C@H]1C(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001363973205 894120647 /nfs/dbraw/zinc/12/06/47/894120647.db2.gz LBEJFCYVDAOMRZ-KCQAQPDRSA-N 2 2 297.399 -0.578 20 0 CBADLP CC[NH+]1CC[C@H]1C(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001363973205 894120654 /nfs/dbraw/zinc/12/06/54/894120654.db2.gz LBEJFCYVDAOMRZ-KCQAQPDRSA-N 2 2 297.399 -0.578 20 0 CBADLP C[C@H](CN1CC[N@H+](CCO)C[C@@H]1C)C[NH+]1CCOCC1 ZINC001364415031 894401230 /nfs/dbraw/zinc/40/12/30/894401230.db2.gz MAIXOTMCFORSDY-GJZGRUSLSA-N 2 2 285.432 -0.047 20 0 CBADLP C[C@H](CN1CC[N@@H+](CCO)C[C@@H]1C)C[NH+]1CCOCC1 ZINC001364415031 894401236 /nfs/dbraw/zinc/40/12/36/894401236.db2.gz MAIXOTMCFORSDY-GJZGRUSLSA-N 2 2 285.432 -0.047 20 0 CBADLP CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CC[NH+](C)CC1 ZINC001364651396 894544023 /nfs/dbraw/zinc/54/40/23/894544023.db2.gz MOCXZCLWNZECLR-LBPRGKRZSA-N 2 2 293.371 -0.475 20 0 CBADLP CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CC[NH+](C)CC1 ZINC001364651396 894544032 /nfs/dbraw/zinc/54/40/32/894544032.db2.gz MOCXZCLWNZECLR-LBPRGKRZSA-N 2 2 293.371 -0.475 20 0 CBADLP CC[N@@H+]1CCCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001364771671 894611319 /nfs/dbraw/zinc/61/13/19/894611319.db2.gz ZMMUHMIWOZKYFN-UHFFFAOYSA-N 2 2 290.433 -0.494 20 0 CBADLP CC[N@H+]1CCCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001364771671 894611324 /nfs/dbraw/zinc/61/13/24/894611324.db2.gz ZMMUHMIWOZKYFN-UHFFFAOYSA-N 2 2 290.433 -0.494 20 0 CBADLP C[C@@H](CNS(=O)(=O)N1CC[NH+](C)CC1)C[NH+](C)C ZINC001364873257 894665380 /nfs/dbraw/zinc/66/53/80/894665380.db2.gz SURQXVZDADREQX-NSHDSACASA-N 2 2 278.422 -0.734 20 0 CBADLP C[C@@H](C(=O)N1CC([NH2+]C2COC2)C1)[NH+]1CCSCC1 ZINC001365051504 894737678 /nfs/dbraw/zinc/73/76/78/894737678.db2.gz YDACBHJXJFGMEY-JTQLQIEISA-N 2 2 285.413 -0.377 20 0 CBADLP C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)N1CC[NH+](C)CC1 ZINC001365133755 894774927 /nfs/dbraw/zinc/77/49/27/894774927.db2.gz HWMPUDDNAOUNLT-LBPRGKRZSA-N 2 2 290.433 -0.495 20 0 CBADLP CC(C)(O)[C@H](O)C[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001365269804 894859213 /nfs/dbraw/zinc/85/92/13/894859213.db2.gz FGJFKFJIWRNMGU-CYBMUJFWSA-N 2 2 299.415 -0.642 20 0 CBADLP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2nc(=O)n(C)[nH]2)CC1 ZINC001365311274 894894192 /nfs/dbraw/zinc/89/41/92/894894192.db2.gz OKRUADGGWVNOFZ-UHFFFAOYSA-N 2 2 296.419 -0.386 20 0 CBADLP CC[N@H+](C)[C@@H]1CCN(S(=O)(=O)N2CC[NH+](C)CC2)C1 ZINC001365752758 895115153 /nfs/dbraw/zinc/11/51/53/895115153.db2.gz BRRAHVUMCZGIGZ-GFCCVEGCSA-N 2 2 290.433 -0.495 20 0 CBADLP CC[N@@H+](C)[C@@H]1CCN(S(=O)(=O)N2CC[NH+](C)CC2)C1 ZINC001365752758 895115161 /nfs/dbraw/zinc/11/51/61/895115161.db2.gz BRRAHVUMCZGIGZ-GFCCVEGCSA-N 2 2 290.433 -0.495 20 0 CBADLP CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001365999675 895172006 /nfs/dbraw/zinc/17/20/06/895172006.db2.gz WCTLVQJETXSSAF-TZMCWYRMSA-N 2 2 298.431 -0.101 20 0 CBADLP CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001365999675 895172014 /nfs/dbraw/zinc/17/20/14/895172014.db2.gz WCTLVQJETXSSAF-TZMCWYRMSA-N 2 2 298.431 -0.101 20 0 CBADLP COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001366103568 895191602 /nfs/dbraw/zinc/19/16/02/895191602.db2.gz UFSAPAIDHXDXCN-RYUDHWBXSA-N 2 2 296.371 -0.542 20 0 CBADLP COC[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001366121706 895196769 /nfs/dbraw/zinc/19/67/69/895196769.db2.gz SNPAVXCDRLBHFW-JHJVBQTASA-N 2 2 296.371 -0.483 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001366161379 895212647 /nfs/dbraw/zinc/21/26/47/895212647.db2.gz HBCPMDJHJAZXIL-LPEHRKFASA-N 2 2 279.344 -0.677 20 0 CBADLP CN(C)C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001366160014 895213650 /nfs/dbraw/zinc/21/36/50/895213650.db2.gz PBLPWDJVJCJYFB-AOOOYVTPSA-N 2 2 279.344 -0.723 20 0 CBADLP CNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001366206313 895220129 /nfs/dbraw/zinc/22/01/29/895220129.db2.gz QXQCRRJOFIUTIZ-LLVKDONJSA-N 2 2 293.371 -0.474 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]Cc1ncnn1C ZINC001366321501 895274828 /nfs/dbraw/zinc/27/48/28/895274828.db2.gz ZPZWYEDQSYZWTP-NEPJUHHUSA-N 2 2 294.403 -0.106 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]Cc1ncnn1C ZINC001366321501 895274840 /nfs/dbraw/zinc/27/48/40/895274840.db2.gz ZPZWYEDQSYZWTP-NEPJUHHUSA-N 2 2 294.403 -0.106 20 0 CBADLP CC[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1)[NH+](C)C ZINC001366324885 895275078 /nfs/dbraw/zinc/27/50/78/895275078.db2.gz NFKYEUKVTSADQW-ZJUUUORDSA-N 2 2 298.391 -0.957 20 0 CBADLP CCCNC(=O)C[NH2+][C@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001366356139 895289116 /nfs/dbraw/zinc/28/91/16/895289116.db2.gz BMPZADVTCIYOQB-SNVBAGLBSA-N 2 2 295.387 -0.119 20 0 CBADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CC(=O)N1CCCC1 ZINC001366375033 895300353 /nfs/dbraw/zinc/30/03/53/895300353.db2.gz QRVCRFRKODYFDZ-GFCCVEGCSA-N 2 2 293.371 -0.400 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001366417182 895316140 /nfs/dbraw/zinc/31/61/40/895316140.db2.gz WOQLARVJSAWKEX-NSHDSACASA-N 2 2 293.371 -0.853 20 0 CBADLP C[C@H](CCNC(=O)CCn1cc[nH+]c1)[NH2+][C@H](C)C(N)=O ZINC001366471907 895329011 /nfs/dbraw/zinc/32/90/11/895329011.db2.gz LKJAXNBHYSDROB-GHMZBOCLSA-N 2 2 281.360 -0.369 20 0 CBADLP C[C@H](CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)[NH2+]CC(N)=O ZINC001366480997 895330818 /nfs/dbraw/zinc/33/08/18/895330818.db2.gz UZIHULYHLGWVHG-GHMZBOCLSA-N 2 2 293.371 -0.585 20 0 CBADLP CCCNC(=O)C[N@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001366516122 895343389 /nfs/dbraw/zinc/34/33/89/895343389.db2.gz ACIITVWQVVJXSB-GFCCVEGCSA-N 2 2 284.404 -0.345 20 0 CBADLP CCCNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001366516122 895343407 /nfs/dbraw/zinc/34/34/07/895343407.db2.gz ACIITVWQVVJXSB-GFCCVEGCSA-N 2 2 284.404 -0.345 20 0 CBADLP CCCNC(=O)C[NH+](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001366516122 895343423 /nfs/dbraw/zinc/34/34/23/895343423.db2.gz ACIITVWQVVJXSB-GFCCVEGCSA-N 2 2 284.404 -0.345 20 0 CBADLP CCCNC(=O)C[NH+](C)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001366516122 895343440 /nfs/dbraw/zinc/34/34/40/895343440.db2.gz ACIITVWQVVJXSB-GFCCVEGCSA-N 2 2 284.404 -0.345 20 0 CBADLP C[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1)CC(N)=O ZINC001366535928 895363623 /nfs/dbraw/zinc/36/36/23/895363623.db2.gz IBRMRLUYROWXPM-ZDUSSCGKSA-N 2 2 296.415 -0.073 20 0 CBADLP C[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1)CC(N)=O ZINC001366535928 895363639 /nfs/dbraw/zinc/36/36/39/895363639.db2.gz IBRMRLUYROWXPM-ZDUSSCGKSA-N 2 2 296.415 -0.073 20 0 CBADLP C[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)CC(N)=O ZINC001366535928 895363656 /nfs/dbraw/zinc/36/36/56/895363656.db2.gz IBRMRLUYROWXPM-ZDUSSCGKSA-N 2 2 296.415 -0.073 20 0 CBADLP C[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)CC(N)=O ZINC001366535928 895363671 /nfs/dbraw/zinc/36/36/71/895363671.db2.gz IBRMRLUYROWXPM-ZDUSSCGKSA-N 2 2 296.415 -0.073 20 0 CBADLP COC[C@@H](O)C[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001366539596 895371804 /nfs/dbraw/zinc/37/18/04/895371804.db2.gz HAFRFEVVEPSPLM-QJPTWQEYSA-N 2 2 296.371 -0.432 20 0 CBADLP COC[C@@H](O)C[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001366539596 895371817 /nfs/dbraw/zinc/37/18/17/895371817.db2.gz HAFRFEVVEPSPLM-QJPTWQEYSA-N 2 2 296.371 -0.432 20 0 CBADLP C[NH+](C)CC1(C(=O)NCC[N@H+](C)CC(=O)N2CCC2)CC1 ZINC001366562901 895381773 /nfs/dbraw/zinc/38/17/73/895381773.db2.gz MQJSMECHIVZSDX-UHFFFAOYSA-N 2 2 296.415 -0.392 20 0 CBADLP C[NH+](C)CC1(C(=O)NCC[N@@H+](C)CC(=O)N2CCC2)CC1 ZINC001366562901 895381788 /nfs/dbraw/zinc/38/17/88/895381788.db2.gz MQJSMECHIVZSDX-UHFFFAOYSA-N 2 2 296.415 -0.392 20 0 CBADLP CC[N@H+](CCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21)CC(N)=O ZINC001366611935 895410171 /nfs/dbraw/zinc/41/01/71/895410171.db2.gz GTQVPRNQIHUZPY-CHWSQXEVSA-N 2 2 296.415 -0.073 20 0 CBADLP CC[N@@H+](CCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21)CC(N)=O ZINC001366611935 895410176 /nfs/dbraw/zinc/41/01/76/895410176.db2.gz GTQVPRNQIHUZPY-CHWSQXEVSA-N 2 2 296.415 -0.073 20 0 CBADLP CC[NH+](CCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21)CC(N)=O ZINC001366611935 895410179 /nfs/dbraw/zinc/41/01/79/895410179.db2.gz GTQVPRNQIHUZPY-CHWSQXEVSA-N 2 2 296.415 -0.073 20 0 CBADLP CC[NH+](CCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21)CC(N)=O ZINC001366611935 895410183 /nfs/dbraw/zinc/41/01/83/895410183.db2.gz GTQVPRNQIHUZPY-CHWSQXEVSA-N 2 2 296.415 -0.073 20 0 CBADLP CC[N@H+](CCNC(=O)Cc1c[nH+]cn1C)[C@H](C)C(=O)NC ZINC001366639886 895419902 /nfs/dbraw/zinc/41/99/02/895419902.db2.gz SCYIFTQPFLBGBT-LLVKDONJSA-N 2 2 295.387 -0.465 20 0 CBADLP CC[N@@H+](CCNC(=O)Cc1c[nH+]cn1C)[C@H](C)C(=O)NC ZINC001366639886 895419913 /nfs/dbraw/zinc/41/99/13/895419913.db2.gz SCYIFTQPFLBGBT-LLVKDONJSA-N 2 2 295.387 -0.465 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001366765390 895454153 /nfs/dbraw/zinc/45/41/53/895454153.db2.gz FGDONYCTYGDJTD-HBNTYKKESA-N 2 2 293.371 -0.304 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N(C)CC[NH2+][C@@H](C)C(=O)N(C)C ZINC001366775297 895456620 /nfs/dbraw/zinc/45/66/20/895456620.db2.gz NDENWUDJNIRIQH-NSHDSACASA-N 2 2 295.387 -0.215 20 0 CBADLP C[C@@H]([NH2+]CCN(C)C(=O)C[C@H](C)n1cc[nH+]c1)C(N)=O ZINC001366772290 895456680 /nfs/dbraw/zinc/45/66/80/895456680.db2.gz GQWRERGCKJHSSH-WDEREUQCSA-N 2 2 281.360 -0.244 20 0 CBADLP COC[C@H](C)[NH+]1CC(NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001366948582 895502805 /nfs/dbraw/zinc/50/28/05/895502805.db2.gz KAHGIVDVCOCXOY-STQMWFEESA-N 2 2 299.415 -0.210 20 0 CBADLP CCNC(=O)C[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001366990593 895516046 /nfs/dbraw/zinc/51/60/46/895516046.db2.gz SXAQFLAXEISLFG-LBPRGKRZSA-N 2 2 282.388 -0.878 20 0 CBADLP CCNC(=O)C[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001366990593 895516051 /nfs/dbraw/zinc/51/60/51/895516051.db2.gz SXAQFLAXEISLFG-LBPRGKRZSA-N 2 2 282.388 -0.878 20 0 CBADLP CCNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001366990589 895517287 /nfs/dbraw/zinc/51/72/87/895517287.db2.gz SXAQFLAXEISLFG-GFCCVEGCSA-N 2 2 282.388 -0.878 20 0 CBADLP CCNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001366990589 895517293 /nfs/dbraw/zinc/51/72/93/895517293.db2.gz SXAQFLAXEISLFG-GFCCVEGCSA-N 2 2 282.388 -0.878 20 0 CBADLP CNC(=O)C[NH+]1CC(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001366987074 895517518 /nfs/dbraw/zinc/51/75/18/895517518.db2.gz WUNVTKIZQKONBN-CYBMUJFWSA-N 2 2 284.404 -0.633 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001366990703 895518200 /nfs/dbraw/zinc/51/82/00/895518200.db2.gz WINVVRYFTDZBLU-LBPRGKRZSA-N 2 2 296.415 -0.216 20 0 CBADLP CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001367016939 895530782 /nfs/dbraw/zinc/53/07/82/895530782.db2.gz SOZDYNYRWSZZGY-OLZOCXBDSA-N 2 2 296.415 -0.345 20 0 CBADLP CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001367016939 895530793 /nfs/dbraw/zinc/53/07/93/895530793.db2.gz SOZDYNYRWSZZGY-OLZOCXBDSA-N 2 2 296.415 -0.345 20 0 CBADLP CCNC(=O)C[NH+]1CC[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001367016939 895530802 /nfs/dbraw/zinc/53/08/02/895530802.db2.gz SOZDYNYRWSZZGY-OLZOCXBDSA-N 2 2 296.415 -0.345 20 0 CBADLP CCNC(=O)C[NH+]1CC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001367016939 895530813 /nfs/dbraw/zinc/53/08/13/895530813.db2.gz SOZDYNYRWSZZGY-OLZOCXBDSA-N 2 2 296.415 -0.345 20 0 CBADLP CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001367026324 895537352 /nfs/dbraw/zinc/53/73/52/895537352.db2.gz XOCVKOIQXDORQQ-GFCCVEGCSA-N 2 2 296.415 -0.203 20 0 CBADLP CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001367026324 895537355 /nfs/dbraw/zinc/53/73/55/895537355.db2.gz XOCVKOIQXDORQQ-GFCCVEGCSA-N 2 2 296.415 -0.203 20 0 CBADLP CCNC(=O)C[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001367026324 895537359 /nfs/dbraw/zinc/53/73/59/895537359.db2.gz XOCVKOIQXDORQQ-GFCCVEGCSA-N 2 2 296.415 -0.203 20 0 CBADLP CCNC(=O)C[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001367026324 895537361 /nfs/dbraw/zinc/53/73/61/895537361.db2.gz XOCVKOIQXDORQQ-GFCCVEGCSA-N 2 2 296.415 -0.203 20 0 CBADLP COC[C@H](O)C[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001367036596 895542642 /nfs/dbraw/zinc/54/26/42/895542642.db2.gz YIBAPVCSRFZKPC-DGCLKSJQSA-N 2 2 296.371 -0.840 20 0 CBADLP COC[C@H](O)C[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001367036596 895542656 /nfs/dbraw/zinc/54/26/56/895542656.db2.gz YIBAPVCSRFZKPC-DGCLKSJQSA-N 2 2 296.371 -0.840 20 0 CBADLP CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001367045410 895546566 /nfs/dbraw/zinc/54/65/66/895546566.db2.gz DFTMHBGVSQNKFY-QWHCGFSZSA-N 2 2 296.415 -0.251 20 0 CBADLP CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001367045410 895546573 /nfs/dbraw/zinc/54/65/73/895546573.db2.gz DFTMHBGVSQNKFY-QWHCGFSZSA-N 2 2 296.415 -0.251 20 0 CBADLP CCNC(=O)C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001367045410 895546579 /nfs/dbraw/zinc/54/65/79/895546579.db2.gz DFTMHBGVSQNKFY-QWHCGFSZSA-N 2 2 296.415 -0.251 20 0 CBADLP CCNC(=O)C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001367045410 895546587 /nfs/dbraw/zinc/54/65/87/895546587.db2.gz DFTMHBGVSQNKFY-QWHCGFSZSA-N 2 2 296.415 -0.251 20 0 CBADLP CC[C@@H](CNC(=O)CCc1[nH+]ccn1C)[NH2+][C@H](C)C(N)=O ZINC001367115183 895566099 /nfs/dbraw/zinc/56/60/99/895566099.db2.gz GKWLTWVMWHSEST-MNOVXSKESA-N 2 2 295.387 -0.289 20 0 CBADLP CC[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CCn1cncn1 ZINC001367121833 895571708 /nfs/dbraw/zinc/57/17/08/895571708.db2.gz DQHQRPWRZPADFL-NSHDSACASA-N 2 2 291.359 -0.272 20 0 CBADLP CC[C@@H](C(=O)NC[C@H]1C[N@H+](CCO)CCO1)[NH+](C)C ZINC001367320510 895611324 /nfs/dbraw/zinc/61/13/24/895611324.db2.gz UIDPAGPPQOVMAP-RYUDHWBXSA-N 2 2 273.377 -0.864 20 0 CBADLP CC[C@@H](C(=O)NC[C@H]1C[N@@H+](CCO)CCO1)[NH+](C)C ZINC001367320510 895611331 /nfs/dbraw/zinc/61/13/31/895611331.db2.gz UIDPAGPPQOVMAP-RYUDHWBXSA-N 2 2 273.377 -0.864 20 0 CBADLP CC[C@H](C(=O)NC[C@@H]1C[N@H+](CCO)CCO1)[NH+](C)C ZINC001367320511 895611559 /nfs/dbraw/zinc/61/15/59/895611559.db2.gz UIDPAGPPQOVMAP-VXGBXAGGSA-N 2 2 273.377 -0.864 20 0 CBADLP CC[C@H](C(=O)NC[C@@H]1C[N@@H+](CCO)CCO1)[NH+](C)C ZINC001367320511 895611564 /nfs/dbraw/zinc/61/15/64/895611564.db2.gz UIDPAGPPQOVMAP-VXGBXAGGSA-N 2 2 273.377 -0.864 20 0 CBADLP CNC(=O)C[NH2+][C@H](CNC(=O)Cc1c[nH+]cn1C)C(C)C ZINC001367497282 895644599 /nfs/dbraw/zinc/64/45/99/895644599.db2.gz YURAXDUBQDNPEM-GFCCVEGCSA-N 2 2 295.387 -0.561 20 0 CBADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH+](C)CC(N)=O ZINC001367517741 895652720 /nfs/dbraw/zinc/65/27/20/895652720.db2.gz UYMFHFRRRHMBGV-GFCCVEGCSA-N 2 2 284.404 -0.265 20 0 CBADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)CC[NH+](C)CC(N)=O ZINC001367517741 895652722 /nfs/dbraw/zinc/65/27/22/895652722.db2.gz UYMFHFRRRHMBGV-GFCCVEGCSA-N 2 2 284.404 -0.265 20 0 CBADLP CC(C)[NH+]1CCC[C@@H]1C(=O)N(C)CC[N@H+](C)CC(N)=O ZINC001367517741 895652726 /nfs/dbraw/zinc/65/27/26/895652726.db2.gz UYMFHFRRRHMBGV-GFCCVEGCSA-N 2 2 284.404 -0.265 20 0 CBADLP CC(C)[NH+]1CCC[C@@H]1C(=O)N(C)CC[N@@H+](C)CC(N)=O ZINC001367517741 895652728 /nfs/dbraw/zinc/65/27/28/895652728.db2.gz UYMFHFRRRHMBGV-GFCCVEGCSA-N 2 2 284.404 -0.265 20 0 CBADLP NC(=O)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001367565308 895668320 /nfs/dbraw/zinc/66/83/20/895668320.db2.gz RNZIRRALMWIIIN-GHMZBOCLSA-N 2 2 279.344 -0.757 20 0 CBADLP Cc1nonc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001367579758 895678933 /nfs/dbraw/zinc/67/89/33/895678933.db2.gz LLJOYBWHDXVXHL-CMPLNLGQSA-N 2 2 297.359 -0.961 20 0 CBADLP Cc1nonc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001367579758 895678938 /nfs/dbraw/zinc/67/89/38/895678938.db2.gz LLJOYBWHDXVXHL-CMPLNLGQSA-N 2 2 297.359 -0.961 20 0 CBADLP COC[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001367609475 895702000 /nfs/dbraw/zinc/70/20/00/895702000.db2.gz HFEKNNIILQGNBX-MWLCHTKSSA-N 2 2 270.333 -0.946 20 0 CBADLP CC[C@H](F)C[NH2+]C[C@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001367610228 895702728 /nfs/dbraw/zinc/70/27/28/895702728.db2.gz JKJYXUQZCVADSW-ONGXEEELSA-N 2 2 272.324 -0.233 20 0 CBADLP COC[C@@H](C)[NH2+]C[C@H](O)CNC(=O)Cc1c[nH+]cn1C ZINC001367617699 895704476 /nfs/dbraw/zinc/70/44/76/895704476.db2.gz GEXFNKRNLHWBLD-PWSUYJOCSA-N 2 2 284.360 -0.936 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@@H](O)C[NH2+]Cc1ccns1 ZINC001367623972 895710076 /nfs/dbraw/zinc/71/00/76/895710076.db2.gz ACJBVQOUHJGBQG-JTQLQIEISA-N 2 2 295.368 -0.394 20 0 CBADLP CCN(CC[NH2+][C@H]1CCCNC1=O)C(=O)Cc1c[nH+]c[nH]1 ZINC001367662054 895729095 /nfs/dbraw/zinc/72/90/95/895729095.db2.gz ZRGPUYIUHBOOIL-LBPRGKRZSA-N 2 2 293.371 -0.331 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001367711813 895757639 /nfs/dbraw/zinc/75/76/39/895757639.db2.gz PGDGSGBSZQAWMR-PSASIEDQSA-N 2 2 281.360 -0.511 20 0 CBADLP C[C@@H]([NH2+]C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1)C(=O)N(C)C ZINC001367758005 895792091 /nfs/dbraw/zinc/79/20/91/895792091.db2.gz BSRZWFNXWXMWKG-VHSXEESVSA-N 2 2 281.360 -0.477 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001367822675 895824202 /nfs/dbraw/zinc/82/42/02/895824202.db2.gz XOZSTADKVUIOPC-ZYHUDNBSSA-N 2 2 295.387 -0.237 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001367953346 895868783 /nfs/dbraw/zinc/86/87/83/895868783.db2.gz QVVGSVPXEMGBSX-RYUDHWBXSA-N 2 2 293.371 -0.354 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001367953346 895868791 /nfs/dbraw/zinc/86/87/91/895868791.db2.gz QVVGSVPXEMGBSX-RYUDHWBXSA-N 2 2 293.371 -0.354 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001367953344 895869102 /nfs/dbraw/zinc/86/91/02/895869102.db2.gz QVVGSVPXEMGBSX-NEPJUHHUSA-N 2 2 293.371 -0.354 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001367953344 895869109 /nfs/dbraw/zinc/86/91/09/895869109.db2.gz QVVGSVPXEMGBSX-NEPJUHHUSA-N 2 2 293.371 -0.354 20 0 CBADLP COC[C@@H](O)C[N@@H+]1CC[C@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001367950549 895870132 /nfs/dbraw/zinc/87/01/32/895870132.db2.gz JHVINGRVJIVQQV-STQMWFEESA-N 2 2 296.371 -0.611 20 0 CBADLP COC[C@@H](O)C[N@H+]1CC[C@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001367950549 895870146 /nfs/dbraw/zinc/87/01/46/895870146.db2.gz JHVINGRVJIVQQV-STQMWFEESA-N 2 2 296.371 -0.611 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001367964951 895874392 /nfs/dbraw/zinc/87/43/92/895874392.db2.gz ZQEHATQEDXUTSR-WDEREUQCSA-N 2 2 270.377 -0.608 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001367964951 895874402 /nfs/dbraw/zinc/87/44/02/895874402.db2.gz ZQEHATQEDXUTSR-WDEREUQCSA-N 2 2 270.377 -0.608 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NCC1([NH2+][C@@H]2CCNC2=O)CC1 ZINC001368022141 895892123 /nfs/dbraw/zinc/89/21/23/895892123.db2.gz ZHJFTVBTGTUNBH-SNVBAGLBSA-N 2 2 277.328 -0.921 20 0 CBADLP Cn1cnnc1C[NH2+]C1(CNC(=O)CC[NH+](C)C)CC1 ZINC001368019294 895892920 /nfs/dbraw/zinc/89/29/20/895892920.db2.gz SAYNSJAFDHHGFS-UHFFFAOYSA-N 2 2 280.376 -0.495 20 0 CBADLP CNC(=O)C[NH2+]C1(CNC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001368027158 895896079 /nfs/dbraw/zinc/89/60/79/895896079.db2.gz BXPWPCSHIXXEFX-LLVKDONJSA-N 2 2 293.371 -0.181 20 0 CBADLP CC[C@H](C(=O)NCC1([NH2+]Cc2cnn(C)n2)CC1)[NH+](C)C ZINC001368028868 895896768 /nfs/dbraw/zinc/89/67/68/895896768.db2.gz POZYJYJVZSABLV-GFCCVEGCSA-N 2 2 294.403 -0.106 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N[C@]1(C)CC[NH+](CC(N)=O)C1 ZINC001368178323 895931531 /nfs/dbraw/zinc/93/15/31/895931531.db2.gz SWTNSQROWXMVGU-CYBMUJFWSA-N 2 2 270.377 -0.608 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N[C@]1(C)CC[NH+](CC(N)=O)C1 ZINC001368178323 895931541 /nfs/dbraw/zinc/93/15/41/895931541.db2.gz SWTNSQROWXMVGU-CYBMUJFWSA-N 2 2 270.377 -0.608 20 0 CBADLP CC(C)[NH+](C)CC(=O)N[C@]1(C)CC[N@H+](CC(N)=O)C1 ZINC001368178323 895931545 /nfs/dbraw/zinc/93/15/45/895931545.db2.gz SWTNSQROWXMVGU-CYBMUJFWSA-N 2 2 270.377 -0.608 20 0 CBADLP CC(C)[NH+](C)CC(=O)N[C@]1(C)CC[N@@H+](CC(N)=O)C1 ZINC001368178323 895931558 /nfs/dbraw/zinc/93/15/58/895931558.db2.gz SWTNSQROWXMVGU-CYBMUJFWSA-N 2 2 270.377 -0.608 20 0 CBADLP C[C@H]([NH2+]C[C@@]1(C)CCN(C(=O)Cc2c[nH+]c[nH]2)C1)C(N)=O ZINC001368202009 895933337 /nfs/dbraw/zinc/93/33/37/895933337.db2.gz YNCWYZRAPFBAJD-IINYFYTJSA-N 2 2 293.371 -0.346 20 0 CBADLP C[C@@H]([NH2+]C[C@]1(C)CCN(C(=O)Cc2c[nH+]c[nH]2)C1)C(N)=O ZINC001368202011 895935677 /nfs/dbraw/zinc/93/56/77/895935677.db2.gz YNCWYZRAPFBAJD-YGRLFVJLSA-N 2 2 293.371 -0.346 20 0 CBADLP COCC[N@@H+]1CC[C@](O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001368263329 895949361 /nfs/dbraw/zinc/94/93/61/895949361.db2.gz SVELJPBLWPEUSW-ZDUSSCGKSA-N 2 2 282.344 -0.848 20 0 CBADLP COCC[N@H+]1CC[C@](O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001368263329 895949373 /nfs/dbraw/zinc/94/93/73/895949373.db2.gz SVELJPBLWPEUSW-ZDUSSCGKSA-N 2 2 282.344 -0.848 20 0 CBADLP C[C@@H](O)C[N@@H+]1CC[C@@](O)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001368260776 895952066 /nfs/dbraw/zinc/95/20/66/895952066.db2.gz SACXAJWIIVXMAK-TZMCWYRMSA-N 2 2 296.371 -0.793 20 0 CBADLP C[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001368260776 895952067 /nfs/dbraw/zinc/95/20/67/895952067.db2.gz SACXAJWIIVXMAK-TZMCWYRMSA-N 2 2 296.371 -0.793 20 0 CBADLP C[C@@H](O)C[NH+]1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001368310389 895975520 /nfs/dbraw/zinc/97/55/20/895975520.db2.gz UBQXSJQBUFKDPU-XQQFMLRXSA-N 2 2 299.415 -0.740 20 0 CBADLP C[C@@H](O)C[NH+]1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001368310389 895975529 /nfs/dbraw/zinc/97/55/29/895975529.db2.gz UBQXSJQBUFKDPU-XQQFMLRXSA-N 2 2 299.415 -0.740 20 0 CBADLP Cn1c[nH+]cc1CN1CC(O)(CNC(=O)CC[NH+](C)C)C1 ZINC001368309627 895976208 /nfs/dbraw/zinc/97/62/08/895976208.db2.gz ZEZHTFOXOCSMRM-UHFFFAOYSA-N 2 2 295.387 -0.965 20 0 CBADLP COC[C@H](C)[NH+]1CC(O)(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001368318948 895979837 /nfs/dbraw/zinc/97/98/37/895979837.db2.gz OHIUFZCPBOOPPN-QWHCGFSZSA-N 2 2 299.415 -0.474 20 0 CBADLP COC[C@H](C)[NH+]1CC(O)(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001368318948 895979844 /nfs/dbraw/zinc/97/98/44/895979844.db2.gz OHIUFZCPBOOPPN-QWHCGFSZSA-N 2 2 299.415 -0.474 20 0 CBADLP COCC[N@@H+]1CC[C@H](NC(=O)NCCc2cn(C)c[nH+]2)C1 ZINC001368470805 896019687 /nfs/dbraw/zinc/01/96/87/896019687.db2.gz PLEQYJRENTYJAU-ZDUSSCGKSA-N 2 2 295.387 -0.018 20 0 CBADLP COCC[N@H+]1CC[C@H](NC(=O)NCCc2cn(C)c[nH+]2)C1 ZINC001368470805 896019694 /nfs/dbraw/zinc/01/96/94/896019694.db2.gz PLEQYJRENTYJAU-ZDUSSCGKSA-N 2 2 295.387 -0.018 20 0 CBADLP C[C@@H](O)C[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001368537405 896029816 /nfs/dbraw/zinc/02/98/16/896029816.db2.gz WKMRONMDBGDSEU-PWSUYJOCSA-N 2 2 282.344 -0.850 20 0 CBADLP CNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001368569489 896039102 /nfs/dbraw/zinc/03/91/02/896039102.db2.gz CHQLYFUVSPKXCY-HAQNSBGRSA-N 2 2 293.371 -0.496 20 0 CBADLP C[C@@H](O)C[NH2+]CC1(NC(=O)Cn2cc[nH+]c2)CCOCC1 ZINC001368633108 896051015 /nfs/dbraw/zinc/05/10/15/896051015.db2.gz IIOLZRDPCBZBDZ-GFCCVEGCSA-N 2 2 296.371 -0.481 20 0 CBADLP COC[C@@H](O)C[NH2+]CC1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC001368826416 896092416 /nfs/dbraw/zinc/09/24/16/896092416.db2.gz WDCRIVZJDRUFGG-BPCQOVAHSA-N 2 2 296.371 -0.625 20 0 CBADLP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[N@H+](C)CC(N)=O ZINC001368977727 896127255 /nfs/dbraw/zinc/12/72/55/896127255.db2.gz BFKDBTZMYVBMED-LLVKDONJSA-N 2 2 284.404 -0.217 20 0 CBADLP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[N@@H+](C)CC(N)=O ZINC001368977727 896127265 /nfs/dbraw/zinc/12/72/65/896127265.db2.gz BFKDBTZMYVBMED-LLVKDONJSA-N 2 2 284.404 -0.217 20 0 CBADLP CC[C@@H](C(N)=O)[NH+]1CC([C@H](C)NC(=O)Cn2cc[nH+]c2)C1 ZINC001369093459 896150738 /nfs/dbraw/zinc/15/07/38/896150738.db2.gz KZZUCWSIFLZNDN-JQWIXIFHSA-N 2 2 293.371 -0.417 20 0 CBADLP CC[C@H](C(N)=O)[NH+]1CC([C@H](C)NC(=O)Cn2cc[nH+]c2)C1 ZINC001369093453 896150874 /nfs/dbraw/zinc/15/08/74/896150874.db2.gz KZZUCWSIFLZNDN-CMPLNLGQSA-N 2 2 293.371 -0.417 20 0 CBADLP CC[C@H](C(N)=O)[NH+]1CC([C@@H](C)NC(=O)Cn2cc[nH+]c2)C1 ZINC001369093474 896150968 /nfs/dbraw/zinc/15/09/68/896150968.db2.gz KZZUCWSIFLZNDN-ZYHUDNBSSA-N 2 2 293.371 -0.417 20 0 CBADLP CCC[N@H+](C)CC(=O)N[C@@H](C)C1C[NH+]([C@H](C)C(N)=O)C1 ZINC001369141581 896158841 /nfs/dbraw/zinc/15/88/41/896158841.db2.gz CWVXZRWXVSBKPK-WDEREUQCSA-N 2 2 284.404 -0.362 20 0 CBADLP CCC[N@@H+](C)CC(=O)N[C@@H](C)C1C[NH+]([C@H](C)C(N)=O)C1 ZINC001369141581 896158846 /nfs/dbraw/zinc/15/88/46/896158846.db2.gz CWVXZRWXVSBKPK-WDEREUQCSA-N 2 2 284.404 -0.362 20 0 CBADLP C[C@@H]([NH2+]C[C@@H](C1CC1)N(C)C(=O)Cc1c[nH+]c[nH]1)C(N)=O ZINC001369215429 896172373 /nfs/dbraw/zinc/17/23/73/896172373.db2.gz HXYKHDOLIPKESD-SKDRFNHKSA-N 2 2 293.371 -0.347 20 0 CBADLP C[C@H](CN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1)[NH2+]CC(N)=O ZINC001369254979 896181340 /nfs/dbraw/zinc/18/13/40/896181340.db2.gz BEIRXSKWCDEBJY-MNOVXSKESA-N 2 2 293.371 -0.633 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@H](C)[NH2+][C@H]1CCNC1=O ZINC001369288939 896187050 /nfs/dbraw/zinc/18/70/50/896187050.db2.gz CGXVHXDFRYQOMU-ONGXEEELSA-N 2 2 293.371 -0.414 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@@H](C)[NH2+][C@@H]1CCNC1=O ZINC001369288929 896187969 /nfs/dbraw/zinc/18/79/69/896187969.db2.gz CGXVHXDFRYQOMU-MWLCHTKSSA-N 2 2 293.371 -0.414 20 0 CBADLP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc2nccs2)C1 ZINC001369379199 896247218 /nfs/dbraw/zinc/24/72/18/896247218.db2.gz DAPCGAPPYXIVQQ-MNOVXSKESA-N 2 2 298.412 -0.339 20 0 CBADLP C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc2nccs2)C1 ZINC001369379199 896247230 /nfs/dbraw/zinc/24/72/30/896247230.db2.gz DAPCGAPPYXIVQQ-MNOVXSKESA-N 2 2 298.412 -0.339 20 0 CBADLP O=C(NC[C@@H](CO)[NH2+]Cc1ccon1)C12CC[NH+](CC1)C2 ZINC001369381479 896251129 /nfs/dbraw/zinc/25/11/29/896251129.db2.gz NPVGUDFXNQCUPR-LBPRGKRZSA-N 2 2 294.355 -0.663 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001369989012 896380588 /nfs/dbraw/zinc/38/05/88/896380588.db2.gz WCGJUIGFSRTZCF-QWRGUYRKSA-N 2 2 282.388 -0.465 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001369989012 896380600 /nfs/dbraw/zinc/38/06/00/896380600.db2.gz WCGJUIGFSRTZCF-QWRGUYRKSA-N 2 2 282.388 -0.465 20 0 CBADLP COC[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001370548867 896441755 /nfs/dbraw/zinc/44/17/55/896441755.db2.gz PXINGJGIMHZRCT-SRVKXCTJSA-N 2 2 296.371 -0.495 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@H](C[NH2+]CC(N)=O)C1 ZINC001370843568 896511849 /nfs/dbraw/zinc/51/18/49/896511849.db2.gz IDTRDVFAUYUMEL-LLVKDONJSA-N 2 2 293.371 -0.724 20 0 CBADLP C[C@H]([NH2+]C[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1)C(N)=O ZINC001370952590 896525441 /nfs/dbraw/zinc/52/54/41/896525441.db2.gz SBPDYNIKPLITFR-JQWIXIFHSA-N 2 2 293.371 -0.203 20 0 CBADLP CNC(=O)C[NH2+][C@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC001371443799 896608885 /nfs/dbraw/zinc/60/88/85/896608885.db2.gz PECPGPGKZZDGGI-SNVBAGLBSA-N 2 2 281.360 -0.807 20 0 CBADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CC(=O)NCC1CC1 ZINC001371483060 896620631 /nfs/dbraw/zinc/62/06/31/896620631.db2.gz GZEFRYLSSXNGFA-NSHDSACASA-N 2 2 293.371 -0.496 20 0 CBADLP COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001371535139 896632183 /nfs/dbraw/zinc/63/21/83/896632183.db2.gz KPOMTKPOXBYESS-CMPLNLGQSA-N 2 2 282.344 -0.850 20 0 CBADLP C[C@H](CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1)[NH2+]CC(N)=O ZINC001371784160 896661849 /nfs/dbraw/zinc/66/18/49/896661849.db2.gz VLHQRHUZVQOVAN-GHMZBOCLSA-N 2 2 293.371 -0.585 20 0 CBADLP CNC(=O)C[NH2+][C@H](C)CCNC(=O)Cc1c[nH+]cn1C ZINC001371865917 896673622 /nfs/dbraw/zinc/67/36/22/896673622.db2.gz DSUSPVXEFPLMST-SNVBAGLBSA-N 2 2 281.360 -0.807 20 0 CBADLP CCN(CC)C(=O)C[N@H+](C)CCNC(=O)C[NH+]1CCCC1 ZINC001372224683 896748510 /nfs/dbraw/zinc/74/85/10/896748510.db2.gz OIQXGVQEPXGQNU-UHFFFAOYSA-N 2 2 298.431 -0.001 20 0 CBADLP CCN(CC)C(=O)C[N@@H+](C)CCNC(=O)C[NH+]1CCCC1 ZINC001372224683 896748522 /nfs/dbraw/zinc/74/85/22/896748522.db2.gz OIQXGVQEPXGQNU-UHFFFAOYSA-N 2 2 298.431 -0.001 20 0 CBADLP C[N@H+](CCNC(=O)C[NH+]1CCCC1)CC(=O)N1CCC1 ZINC001372226068 896751973 /nfs/dbraw/zinc/75/19/73/896751973.db2.gz ZUTZXNSJFAFTQU-UHFFFAOYSA-N 2 2 282.388 -0.638 20 0 CBADLP C[N@@H+](CCNC(=O)C[NH+]1CCCC1)CC(=O)N1CCC1 ZINC001372226068 896751987 /nfs/dbraw/zinc/75/19/87/896751987.db2.gz ZUTZXNSJFAFTQU-UHFFFAOYSA-N 2 2 282.388 -0.638 20 0 CBADLP C[NH+](C)CCC(=O)N1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001372528746 896798932 /nfs/dbraw/zinc/79/89/32/896798932.db2.gz MZCHWQKMKVMIAH-LBPRGKRZSA-N 2 2 293.371 -0.448 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001372562035 896808748 /nfs/dbraw/zinc/80/87/48/896808748.db2.gz BEKNIACQWWXPMV-VXGBXAGGSA-N 2 2 282.388 -0.463 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001372562035 896808762 /nfs/dbraw/zinc/80/87/62/896808762.db2.gz BEKNIACQWWXPMV-VXGBXAGGSA-N 2 2 282.388 -0.463 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NCC[N@H+](CC(N)=O)C1CC1 ZINC001372836236 896885042 /nfs/dbraw/zinc/88/50/42/896885042.db2.gz HKTJIGHKFDBGOL-UHFFFAOYSA-N 2 2 279.344 -0.743 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NCC[N@@H+](CC(N)=O)C1CC1 ZINC001372836236 896885047 /nfs/dbraw/zinc/88/50/47/896885047.db2.gz HKTJIGHKFDBGOL-UHFFFAOYSA-N 2 2 279.344 -0.743 20 0 CBADLP CC[NH+](CC)CC(=O)NC[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001372886085 896896709 /nfs/dbraw/zinc/89/67/09/896896709.db2.gz FTUMLTONVIGTIS-LLVKDONJSA-N 2 2 295.387 -0.085 20 0 CBADLP CC[C@H](C(=O)NCC1C[NH+](CC(=O)NC(C)C)C1)[NH+](C)C ZINC001373514766 897041028 /nfs/dbraw/zinc/04/10/28/897041028.db2.gz JASZRMZGWWLTOI-CYBMUJFWSA-N 2 2 298.431 -0.101 20 0 CBADLP CC[N@H+](C)CCC(=O)NCCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001373685821 897102533 /nfs/dbraw/zinc/10/25/33/897102533.db2.gz JHOWPNBZWJYEEM-UHFFFAOYSA-N 2 2 295.387 -0.131 20 0 CBADLP CC[N@@H+](C)CCC(=O)NCCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001373685821 897102542 /nfs/dbraw/zinc/10/25/42/897102542.db2.gz JHOWPNBZWJYEEM-UHFFFAOYSA-N 2 2 295.387 -0.131 20 0 CBADLP CC[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CC(=O)NC1CC1 ZINC001373802297 897127215 /nfs/dbraw/zinc/12/72/15/897127215.db2.gz STCKDPVJJISLAY-SNVBAGLBSA-N 2 2 293.371 -0.285 20 0 CBADLP CC[C@@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]CC(=O)N(C)C ZINC001373819172 897130656 /nfs/dbraw/zinc/13/06/56/897130656.db2.gz DEWHUZMBOCYNEO-NSHDSACASA-N 2 2 295.387 -0.465 20 0 CBADLP NC(=O)C[NH2+]CC1(NC(=O)CCc2c[nH]c[nH+]2)CCCC1 ZINC001373850963 897134765 /nfs/dbraw/zinc/13/47/65/897134765.db2.gz ZTSSYYWAUBNVCK-UHFFFAOYSA-N 2 2 293.371 -0.154 20 0 CBADLP NC(=O)C[NH2+]CC1(NC(=O)CCc2c[nH+]c[nH]2)CCCC1 ZINC001373850963 897134778 /nfs/dbraw/zinc/13/47/78/897134778.db2.gz ZTSSYYWAUBNVCK-UHFFFAOYSA-N 2 2 293.371 -0.154 20 0 CBADLP CNC(=O)C[NH2+]C[C@](C)(NC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001373901402 897136729 /nfs/dbraw/zinc/13/67/29/897136729.db2.gz QWWLSMCRPLCEQT-AWEZNQCLSA-N 2 2 293.371 -0.496 20 0 CBADLP C[C@@H](C[NH2+]CC(N)=O)N(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001374248731 897197464 /nfs/dbraw/zinc/19/74/64/897197464.db2.gz WTICVSPBQYFPCU-QWRGUYRKSA-N 2 2 293.371 -0.633 20 0 CBADLP C[C@@H](C[NH2+][C@H]1CCCNC1=O)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001374302998 897205460 /nfs/dbraw/zinc/20/54/60/897205460.db2.gz NOCVYSRTAFERIM-QWRGUYRKSA-N 2 2 293.371 -0.333 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]([NH2+]CC(N)=O)C(C)C ZINC001374440837 897228504 /nfs/dbraw/zinc/22/85/04/897228504.db2.gz BKOKYNFBNSTFBA-NSHDSACASA-N 2 2 281.360 -0.524 20 0 CBADLP NC(=O)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001374571771 897270974 /nfs/dbraw/zinc/27/09/74/897270974.db2.gz KUOJUHWUIYHFOU-UWVGGRQHSA-N 2 2 279.344 -0.688 20 0 CBADLP CC[NH2+]C[C@@H](O)CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001374600899 897301892 /nfs/dbraw/zinc/30/18/92/897301892.db2.gz AOSMDEYRAYHCJD-MFKMUULPSA-N 2 2 295.387 -0.123 20 0 CBADLP CC[NH2+]C[C@@H](O)CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001374600899 897301899 /nfs/dbraw/zinc/30/18/99/897301899.db2.gz AOSMDEYRAYHCJD-MFKMUULPSA-N 2 2 295.387 -0.123 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H](O)C[NH2+]Cc1cccnc1 ZINC001374649894 897328925 /nfs/dbraw/zinc/32/89/25/897328925.db2.gz JBNRFGWMGYTKCX-CYBMUJFWSA-N 2 2 289.339 -0.386 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@H](O)C[NH2+]C[C@@H]1CCCCO1 ZINC001374677356 897343154 /nfs/dbraw/zinc/34/31/54/897343154.db2.gz OXOJOOLPEKHOCL-OLZOCXBDSA-N 2 2 296.371 -0.481 20 0 CBADLP C[C@H](CC[NH2+][C@@H](C)C(N)=O)NC(=O)CCc1[nH+]ccn1C ZINC001374694870 897347426 /nfs/dbraw/zinc/34/74/26/897347426.db2.gz LSFDMMMEGRCBSK-MNOVXSKESA-N 2 2 295.387 -0.289 20 0 CBADLP C[C@H](CC[NH2+][C@H](C)C(N)=O)NC(=O)CCc1c[nH+]cn1C ZINC001374708188 897349649 /nfs/dbraw/zinc/34/96/49/897349649.db2.gz MCLIJUAGDPAVLF-GHMZBOCLSA-N 2 2 295.387 -0.289 20 0 CBADLP CC[C@H]([NH2+]CC[C@@H](C)NC(=O)Cc1c[nH+]cn1C)C(N)=O ZINC001374710867 897355174 /nfs/dbraw/zinc/35/51/74/897355174.db2.gz ZNQIXTDUZKXPBJ-PWSUYJOCSA-N 2 2 295.387 -0.289 20 0 CBADLP CCN(CC[NH2+][C@@H](C)C(=O)NC)C(=O)Cc1c[nH+]c[nH]1 ZINC001374747399 897370220 /nfs/dbraw/zinc/37/02/20/897370220.db2.gz AIIGYOLCZIUVAD-JTQLQIEISA-N 2 2 281.360 -0.475 20 0 CBADLP CCN(C)C(=O)C[NH2+]C[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001374833483 897406592 /nfs/dbraw/zinc/40/65/92/897406592.db2.gz OARSKGKLIRJXFD-LLVKDONJSA-N 2 2 295.387 -0.465 20 0 CBADLP C[C@@H](C[NH2+]CC(=O)N(C)C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001374892544 897423719 /nfs/dbraw/zinc/42/37/19/897423719.db2.gz ZQUYOQLKUJRRJI-JTQLQIEISA-N 2 2 281.360 -0.475 20 0 CBADLP C[C@@H](C[NH2+]CC(=O)N(C)C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001374892544 897423727 /nfs/dbraw/zinc/42/37/27/897423727.db2.gz ZQUYOQLKUJRRJI-JTQLQIEISA-N 2 2 281.360 -0.475 20 0 CBADLP C[C@@H](C[NH2+][C@H]1CCN(C)C1=O)NC(=O)CCc1c[nH]c[nH+]1 ZINC001374891082 897424198 /nfs/dbraw/zinc/42/41/98/897424198.db2.gz IZARSFRLWRWDRL-JQWIXIFHSA-N 2 2 293.371 -0.333 20 0 CBADLP C[C@@H](C[NH2+][C@H]1CCN(C)C1=O)NC(=O)CCc1c[nH+]c[nH]1 ZINC001374891082 897424205 /nfs/dbraw/zinc/42/42/05/897424205.db2.gz IZARSFRLWRWDRL-JQWIXIFHSA-N 2 2 293.371 -0.333 20 0 CBADLP C[C@@H](C[NH2+]CC(=O)N1CCC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001374936271 897438578 /nfs/dbraw/zinc/43/85/78/897438578.db2.gz PRTOHXGYVUHKJD-JTQLQIEISA-N 2 2 279.344 -0.721 20 0 CBADLP CCN1CC[C@@H]([NH2+]C[C@H](C)NC(=O)Cn2cc[nH+]c2)C1=O ZINC001374984927 897447720 /nfs/dbraw/zinc/44/77/20/897447720.db2.gz ZXFNCIVBDBBXIK-NWDGAFQWSA-N 2 2 293.371 -0.402 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001375337943 897518949 /nfs/dbraw/zinc/51/89/49/897518949.db2.gz DLKBHTYGAGTBCF-MNOVXSKESA-N 2 2 270.377 -0.737 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001375337943 897518961 /nfs/dbraw/zinc/51/89/61/897518961.db2.gz DLKBHTYGAGTBCF-MNOVXSKESA-N 2 2 270.377 -0.737 20 0 CBADLP C[NH+](C)CCCC(=O)NC[C@H]1CC[N@@H+]1[C@@H]1CCCNC1=O ZINC001375336553 897519025 /nfs/dbraw/zinc/51/90/25/897519025.db2.gz WNHAQIXQUXEQCM-CHWSQXEVSA-N 2 2 296.415 -0.203 20 0 CBADLP C[NH+](C)CCCC(=O)NC[C@H]1CC[N@H+]1[C@@H]1CCCNC1=O ZINC001375336553 897519036 /nfs/dbraw/zinc/51/90/36/897519036.db2.gz WNHAQIXQUXEQCM-CHWSQXEVSA-N 2 2 296.415 -0.203 20 0 CBADLP CCC[N@H+](C)CC(=O)NC[C@@H]1CC[NH+]1CC(=O)N(C)C ZINC001375363641 897523131 /nfs/dbraw/zinc/52/31/31/897523131.db2.gz AAWXJGVNFLZXIU-LBPRGKRZSA-N 2 2 284.404 -0.393 20 0 CBADLP CCC[N@@H+](C)CC(=O)NC[C@@H]1CC[NH+]1CC(=O)N(C)C ZINC001375363641 897523142 /nfs/dbraw/zinc/52/31/42/897523142.db2.gz AAWXJGVNFLZXIU-LBPRGKRZSA-N 2 2 284.404 -0.393 20 0 CBADLP CCC[NH+](C)CC(=O)NC[C@@H]1CC[N@@H+]1CC(=O)N(C)C ZINC001375363641 897523149 /nfs/dbraw/zinc/52/31/49/897523149.db2.gz AAWXJGVNFLZXIU-LBPRGKRZSA-N 2 2 284.404 -0.393 20 0 CBADLP CCC[NH+](C)CC(=O)NC[C@@H]1CC[N@H+]1CC(=O)N(C)C ZINC001375363641 897523160 /nfs/dbraw/zinc/52/31/60/897523160.db2.gz AAWXJGVNFLZXIU-LBPRGKRZSA-N 2 2 284.404 -0.393 20 0 CBADLP CC[C@H](C(=O)NC[C@@H]1CC[N@@H+]1CC(=O)N(C)CC)[NH+](C)C ZINC001375361926 897524168 /nfs/dbraw/zinc/52/41/68/897524168.db2.gz IBAVHPSQJSOYRE-QWHCGFSZSA-N 2 2 298.431 -0.005 20 0 CBADLP CC[C@H](C(=O)NC[C@@H]1CC[N@H+]1CC(=O)N(C)CC)[NH+](C)C ZINC001375361926 897524180 /nfs/dbraw/zinc/52/41/80/897524180.db2.gz IBAVHPSQJSOYRE-QWHCGFSZSA-N 2 2 298.431 -0.005 20 0 CBADLP CCC[N@H+](C)CC(=O)NC[C@@H]1CC[NH+]1[C@@H](C)C(=O)NC ZINC001375365062 897524227 /nfs/dbraw/zinc/52/42/27/897524227.db2.gz GMBVEZSYFFNMPC-RYUDHWBXSA-N 2 2 284.404 -0.347 20 0 CBADLP CCC[N@@H+](C)CC(=O)NC[C@@H]1CC[NH+]1[C@@H](C)C(=O)NC ZINC001375365062 897524243 /nfs/dbraw/zinc/52/42/43/897524243.db2.gz GMBVEZSYFFNMPC-RYUDHWBXSA-N 2 2 284.404 -0.347 20 0 CBADLP CCC[NH+](C)CC(=O)NC[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)NC ZINC001375365062 897524256 /nfs/dbraw/zinc/52/42/56/897524256.db2.gz GMBVEZSYFFNMPC-RYUDHWBXSA-N 2 2 284.404 -0.347 20 0 CBADLP CCC[NH+](C)CC(=O)NC[C@@H]1CC[N@H+]1[C@@H](C)C(=O)NC ZINC001375365062 897524266 /nfs/dbraw/zinc/52/42/66/897524266.db2.gz GMBVEZSYFFNMPC-RYUDHWBXSA-N 2 2 284.404 -0.347 20 0 CBADLP CN(C)C(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)CCC[NH+](C)C ZINC001375462480 897546533 /nfs/dbraw/zinc/54/65/33/897546533.db2.gz XOCNKTMFFOUIIC-ZDUSSCGKSA-N 2 2 298.431 -0.051 20 0 CBADLP CN(C)C(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)CCC[NH+](C)C ZINC001375462480 897546545 /nfs/dbraw/zinc/54/65/45/897546545.db2.gz XOCNKTMFFOUIIC-ZDUSSCGKSA-N 2 2 298.431 -0.051 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)CCn2cc[nH+]c2)CC1 ZINC001375452848 897548378 /nfs/dbraw/zinc/54/83/78/897548378.db2.gz BLYHZYWVDAYRDL-LLVKDONJSA-N 2 2 293.371 -0.354 20 0 CBADLP CN(C)C(=O)C[NH2+]C1(CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001375514247 897560585 /nfs/dbraw/zinc/56/05/85/897560585.db2.gz WPOAMKRXZKTPML-UHFFFAOYSA-N 2 2 279.344 -0.721 20 0 CBADLP CNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001375539786 897562669 /nfs/dbraw/zinc/56/26/69/897562669.db2.gz VDAMBRKQNCQEGE-UMSPYCQHSA-N 2 2 293.371 -0.427 20 0 CBADLP CNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001375539786 897562677 /nfs/dbraw/zinc/56/26/77/897562677.db2.gz VDAMBRKQNCQEGE-UMSPYCQHSA-N 2 2 293.371 -0.427 20 0 CBADLP Cn1ncnc1C[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001375546866 897562715 /nfs/dbraw/zinc/56/27/15/897562715.db2.gz ZWQIROHVMAVKMQ-UHFFFAOYSA-N 2 2 292.387 -0.351 20 0 CBADLP C[C@]1(NC(=O)C[NH+]2CCCC2)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001375853389 897615142 /nfs/dbraw/zinc/61/51/42/897615142.db2.gz BPJMCDYLPKAJFL-WFASDCNBSA-N 2 2 294.399 -0.449 20 0 CBADLP C[C@]1(NC(=O)C[NH+]2CCCC2)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001375853389 897615149 /nfs/dbraw/zinc/61/51/49/897615149.db2.gz BPJMCDYLPKAJFL-WFASDCNBSA-N 2 2 294.399 -0.449 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)NCCN1CC[NH+](CCF)CC1 ZINC001376093794 897652246 /nfs/dbraw/zinc/65/22/46/897652246.db2.gz SWGYLKDUASIIJM-CYBMUJFWSA-N 2 2 286.395 -0.216 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)NCCN1CC[NH+](CCF)CC1 ZINC001376093794 897652259 /nfs/dbraw/zinc/65/22/59/897652259.db2.gz SWGYLKDUASIIJM-CYBMUJFWSA-N 2 2 286.395 -0.216 20 0 CBADLP CC[C@H](C)C[NH+]1CC(O)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001376150249 897676108 /nfs/dbraw/zinc/67/61/08/897676108.db2.gz PJHSPFVFSPAKET-QWHCGFSZSA-N 2 2 299.415 -0.474 20 0 CBADLP CC[C@H](C)C[NH+]1CC(O)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001376150249 897676118 /nfs/dbraw/zinc/67/61/18/897676118.db2.gz PJHSPFVFSPAKET-QWHCGFSZSA-N 2 2 299.415 -0.474 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)NCC2(O)C[NH+](C[C@H](C)O)C2)CC[N@@H+]1C ZINC001376169799 897681127 /nfs/dbraw/zinc/68/11/27/897681127.db2.gz MWOFZRRAXUHCIG-RWMBFGLXSA-N 2 2 299.415 -0.740 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)NCC2(O)C[NH+](C[C@H](C)O)C2)CC[N@H+]1C ZINC001376169799 897681133 /nfs/dbraw/zinc/68/11/33/897681133.db2.gz MWOFZRRAXUHCIG-RWMBFGLXSA-N 2 2 299.415 -0.740 20 0 CBADLP C[C@H](F)CC[NH+]1CC(O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001376225697 897690310 /nfs/dbraw/zinc/69/03/10/897690310.db2.gz MFIORZCRWZEWIA-NWDGAFQWSA-N 2 2 287.379 -0.008 20 0 CBADLP C[C@H](F)CC[NH+]1CC(O)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001376225697 897690314 /nfs/dbraw/zinc/69/03/14/897690314.db2.gz MFIORZCRWZEWIA-NWDGAFQWSA-N 2 2 287.379 -0.008 20 0 CBADLP C[C@@H]([NH2+][C@H](CNC(=O)CCc1c[nH]c[nH+]1)C1CC1)C(N)=O ZINC001376209902 897691888 /nfs/dbraw/zinc/69/18/88/897691888.db2.gz CZOOQGRLEIHMFG-BXKDBHETSA-N 2 2 293.371 -0.300 20 0 CBADLP C[C@@H]([NH2+][C@H](CNC(=O)CCc1c[nH+]c[nH]1)C1CC1)C(N)=O ZINC001376209902 897691897 /nfs/dbraw/zinc/69/18/97/897691897.db2.gz CZOOQGRLEIHMFG-BXKDBHETSA-N 2 2 293.371 -0.300 20 0 CBADLP CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001376412696 897727368 /nfs/dbraw/zinc/72/73/68/897727368.db2.gz UZWNKOCAAYMKAW-XYPYZODXSA-N 2 2 293.371 -0.665 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001376494942 897759844 /nfs/dbraw/zinc/75/98/44/897759844.db2.gz RDLFZQJNMSLYFF-GARJFASQSA-N 2 2 293.371 -0.368 20 0 CBADLP NC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001376685969 897803216 /nfs/dbraw/zinc/80/32/16/897803216.db2.gz VQVPXFUYVMTMIQ-SNVBAGLBSA-N 2 2 279.344 -0.592 20 0 CBADLP CNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001376753224 897836687 /nfs/dbraw/zinc/83/66/87/897836687.db2.gz GWMYNMQFUXBWFQ-WDEREUQCSA-N 2 2 293.371 -0.714 20 0 CBADLP CNC(=O)C[NH2+]C1(CNC(=O)Cc2c[nH+]cn2C)CCC1 ZINC001376808909 897854242 /nfs/dbraw/zinc/85/42/42/897854242.db2.gz KYOIZNZQXBAKRZ-UHFFFAOYSA-N 2 2 293.371 -0.663 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)[NH2+]CC(=O)N1CCC1 ZINC001376853683 897870910 /nfs/dbraw/zinc/87/09/10/897870910.db2.gz BFBMSGIQAZICOB-SNVBAGLBSA-N 2 2 293.371 -0.413 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC[C@H](C)[NH2+]Cc1cnon1 ZINC001376864182 897877539 /nfs/dbraw/zinc/87/75/39/897877539.db2.gz IZEJELWWKVERNO-VIFPVBQESA-N 2 2 278.316 -0.131 20 0 CBADLP C[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CCS(C)(=O)=O ZINC001376886664 897878950 /nfs/dbraw/zinc/87/89/50/897878950.db2.gz SUGZFHUWMJLBML-LLVKDONJSA-N 2 2 291.417 -0.779 20 0 CBADLP C[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CCS(C)(=O)=O ZINC001376886672 897881064 /nfs/dbraw/zinc/88/10/64/897881064.db2.gz SUGZFHUWMJLBML-NSHDSACASA-N 2 2 291.417 -0.779 20 0 CBADLP C[C@H]([NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1)C(N)=O ZINC001376971164 897904762 /nfs/dbraw/zinc/90/47/62/897904762.db2.gz ZCQWFDUIAZEBRH-UWVGGRQHSA-N 2 2 279.344 -0.736 20 0 CBADLP C[C@H](CCNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CC(=O)NC1CC1 ZINC001377075739 897925267 /nfs/dbraw/zinc/92/52/67/897925267.db2.gz OMUUKTJWKNWRGJ-SNVBAGLBSA-N 2 2 293.371 -0.285 20 0 CBADLP CC[C@@H](C(=O)N[C@@H]1COC2(C[NH+](CCOC)C2)C1)[NH+](C)C ZINC001377084296 897926901 /nfs/dbraw/zinc/92/69/01/897926901.db2.gz OMDUXTDWHGRHFD-STQMWFEESA-N 2 2 299.415 -0.068 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)NCC[NH+](C)CC(N)=O)CC[N@@H+]1C ZINC001377162405 897956726 /nfs/dbraw/zinc/95/67/26/897956726.db2.gz RSNKVTYIMSLDGD-WDEREUQCSA-N 2 2 270.377 -0.750 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)NCC[NH+](C)CC(N)=O)CC[N@H+]1C ZINC001377162405 897956734 /nfs/dbraw/zinc/95/67/34/897956734.db2.gz RSNKVTYIMSLDGD-WDEREUQCSA-N 2 2 270.377 -0.750 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)NCC[N@H+](C)CC(N)=O)CC[NH+]1C ZINC001377162405 897956740 /nfs/dbraw/zinc/95/67/40/897956740.db2.gz RSNKVTYIMSLDGD-WDEREUQCSA-N 2 2 270.377 -0.750 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)NCC[N@@H+](C)CC(N)=O)CC[NH+]1C ZINC001377162405 897956749 /nfs/dbraw/zinc/95/67/49/897956749.db2.gz RSNKVTYIMSLDGD-WDEREUQCSA-N 2 2 270.377 -0.750 20 0 CBADLP C[C@H]1CC[N@H+](CC(=O)NCC[NH+](C)CC(=O)N2CCC2)C1 ZINC001377222098 897974575 /nfs/dbraw/zinc/97/45/75/897974575.db2.gz LISBIWXYBNBKSB-ZDUSSCGKSA-N 2 2 296.415 -0.392 20 0 CBADLP C[C@H]1CC[N@@H+](CC(=O)NCC[NH+](C)CC(=O)N2CCC2)C1 ZINC001377222098 897974587 /nfs/dbraw/zinc/97/45/87/897974587.db2.gz LISBIWXYBNBKSB-ZDUSSCGKSA-N 2 2 296.415 -0.392 20 0 CBADLP C[C@H]1CC[NH+](CC(=O)NCC[N@H+](C)CC(=O)N2CCC2)C1 ZINC001377222098 897974593 /nfs/dbraw/zinc/97/45/93/897974593.db2.gz LISBIWXYBNBKSB-ZDUSSCGKSA-N 2 2 296.415 -0.392 20 0 CBADLP C[C@H]1CC[NH+](CC(=O)NCC[N@@H+](C)CC(=O)N2CCC2)C1 ZINC001377222098 897974602 /nfs/dbraw/zinc/97/46/02/897974602.db2.gz LISBIWXYBNBKSB-ZDUSSCGKSA-N 2 2 296.415 -0.392 20 0 CBADLP CCCNC(=O)C[N@H+](C)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001377253078 897986222 /nfs/dbraw/zinc/98/62/22/897986222.db2.gz UMLGOJWKASBNMH-CYBMUJFWSA-N 2 2 298.431 -0.098 20 0 CBADLP CCCNC(=O)C[N@@H+](C)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001377253078 897986230 /nfs/dbraw/zinc/98/62/30/897986230.db2.gz UMLGOJWKASBNMH-CYBMUJFWSA-N 2 2 298.431 -0.098 20 0 CBADLP CCCNC(=O)C[NH+](C)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001377253078 897986238 /nfs/dbraw/zinc/98/62/38/897986238.db2.gz UMLGOJWKASBNMH-CYBMUJFWSA-N 2 2 298.431 -0.098 20 0 CBADLP CCCNC(=O)C[NH+](C)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001377253078 897986241 /nfs/dbraw/zinc/98/62/41/897986241.db2.gz UMLGOJWKASBNMH-CYBMUJFWSA-N 2 2 298.431 -0.098 20 0 CBADLP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1[NH2+]Cc1nnn(C)n1 ZINC001377270100 897992387 /nfs/dbraw/zinc/99/23/87/897992387.db2.gz DVYRGRSSFXNCOF-QWRGUYRKSA-N 2 2 295.391 -0.902 20 0 CBADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH+](C)CC(=O)NC ZINC001377271113 897993066 /nfs/dbraw/zinc/99/30/66/897993066.db2.gz IOTZLSJTPLVJMY-GFCCVEGCSA-N 2 2 284.404 -0.345 20 0 CBADLP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH+](C)CC(=O)NC ZINC001377271113 897993074 /nfs/dbraw/zinc/99/30/74/897993074.db2.gz IOTZLSJTPLVJMY-GFCCVEGCSA-N 2 2 284.404 -0.345 20 0 CBADLP CC[NH+]1CCCC[C@@H]1C(=O)NCC[N@H+](C)CC(=O)NC ZINC001377271113 897993099 /nfs/dbraw/zinc/99/30/99/897993099.db2.gz IOTZLSJTPLVJMY-GFCCVEGCSA-N 2 2 284.404 -0.345 20 0 CBADLP CC[NH+]1CCCC[C@@H]1C(=O)NCC[N@@H+](C)CC(=O)NC ZINC001377271113 897993103 /nfs/dbraw/zinc/99/31/03/897993103.db2.gz IOTZLSJTPLVJMY-GFCCVEGCSA-N 2 2 284.404 -0.345 20 0 CBADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)NC(=O)CC[NH+](C)C ZINC001377303376 898005386 /nfs/dbraw/zinc/00/53/86/898005386.db2.gz XGCXAZBMCFJASB-LLVKDONJSA-N 2 2 295.387 -0.465 20 0 CBADLP CC[NH+]1CCC(CO)(NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001377583121 898094421 /nfs/dbraw/zinc/09/44/21/898094421.db2.gz VKFNFEPOMRRSKJ-UHFFFAOYSA-N 2 2 280.372 -0.074 20 0 CBADLP C[C@@H]([NH2+]CCN(C)C(=O)Cc1[nH]cc[nH+]1)C(=O)N(C)C ZINC001377598440 898103661 /nfs/dbraw/zinc/10/36/61/898103661.db2.gz UWDZPIJHVPMROA-SNVBAGLBSA-N 2 2 281.360 -0.523 20 0 CBADLP CC[C@@H](C(=O)NC[C@H](C)NC(=O)Cn1cc[nH+]c1)[NH+](C)C ZINC001377774031 898132516 /nfs/dbraw/zinc/13/25/16/898132516.db2.gz WHYQDQNVBVPZOV-RYUDHWBXSA-N 2 2 295.387 -0.156 20 0 CBADLP CC[C@H](C(=O)N[C@@H](C)CNC(=O)Cc1c[nH]c[nH+]1)[NH+](C)C ZINC001377831320 898142329 /nfs/dbraw/zinc/14/23/29/898142329.db2.gz LIEIANIFDXOPII-CMPLNLGQSA-N 2 2 295.387 -0.087 20 0 CBADLP C[C@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)[NH2+]CC(=O)N1CCC1 ZINC001377901264 898165329 /nfs/dbraw/zinc/16/53/29/898165329.db2.gz IYKXNJHRXUNLAP-RYUDHWBXSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)[NH2+]CC(=O)N1CCC1 ZINC001377901263 898166213 /nfs/dbraw/zinc/16/62/13/898166213.db2.gz IYKXNJHRXUNLAP-NWDGAFQWSA-N 2 2 293.371 -0.402 20 0 CBADLP CCn1nncc1C[NH+]1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001377995687 898193562 /nfs/dbraw/zinc/19/35/62/898193562.db2.gz ZTJIPJAXEUASKV-UHFFFAOYSA-N 2 2 294.403 -0.202 20 0 CBADLP CC(C)[C@@H](C(=O)NCC1C[NH+]([C@@H](C)C(N)=O)C1)[NH+](C)C ZINC001378012420 898196059 /nfs/dbraw/zinc/19/60/59/898196059.db2.gz VIYVQQITNPBGQF-JQWIXIFHSA-N 2 2 284.404 -0.506 20 0 CBADLP CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001378058730 898224454 /nfs/dbraw/zinc/22/44/54/898224454.db2.gz HGMAITIZRPWTFH-LBPRGKRZSA-N 2 2 296.415 -0.203 20 0 CBADLP CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001378058730 898224470 /nfs/dbraw/zinc/22/44/70/898224470.db2.gz HGMAITIZRPWTFH-LBPRGKRZSA-N 2 2 296.415 -0.203 20 0 CBADLP CC[C@@H](C(=O)N[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1)[NH+](C)C ZINC001378123674 898244221 /nfs/dbraw/zinc/24/42/21/898244221.db2.gz YSVNFDDPFLJBBH-WOPDTQHZSA-N 2 2 282.388 -0.594 20 0 CBADLP CC[C@@H](C(=O)N[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1)[NH+](C)C ZINC001378123674 898244236 /nfs/dbraw/zinc/24/42/36/898244236.db2.gz YSVNFDDPFLJBBH-WOPDTQHZSA-N 2 2 282.388 -0.594 20 0 CBADLP CC[C@@H](C(=O)N(C)[C@H]1CC[N@H+](CC(=O)NC)C1)[NH+](C)C ZINC001378167396 898257789 /nfs/dbraw/zinc/25/77/89/898257789.db2.gz HDPPZSCYFURDLJ-RYUDHWBXSA-N 2 2 284.404 -0.395 20 0 CBADLP CC[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](CC(=O)NC)C1)[NH+](C)C ZINC001378167396 898257798 /nfs/dbraw/zinc/25/77/98/898257798.db2.gz HDPPZSCYFURDLJ-RYUDHWBXSA-N 2 2 284.404 -0.395 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001454644775 914238611 /nfs/dbraw/zinc/23/86/11/914238611.db2.gz LVXPMJAUHKIEBQ-LLVKDONJSA-N 2 2 295.387 -0.087 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001454644775 914238628 /nfs/dbraw/zinc/23/86/28/914238628.db2.gz LVXPMJAUHKIEBQ-LLVKDONJSA-N 2 2 295.387 -0.087 20 0 CBADLP CC[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@@H](C)C(=O)NC ZINC001378310420 898313092 /nfs/dbraw/zinc/31/30/92/898313092.db2.gz KTOLZUSQIFJQIC-UWVGGRQHSA-N 2 2 281.360 -0.429 20 0 CBADLP NC(=O)C[NH2+]CC1(NC(=O)Cn2cc[nH+]c2)CCCCC1 ZINC001378414847 898327249 /nfs/dbraw/zinc/32/72/49/898327249.db2.gz GFEDMCNACJKIBN-UHFFFAOYSA-N 2 2 293.371 -0.223 20 0 CBADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+]Cc1cn(C)nn1 ZINC001378633263 898374231 /nfs/dbraw/zinc/37/42/31/898374231.db2.gz LAQWOGHGONYABB-NSHDSACASA-N 2 2 291.359 -0.446 20 0 CBADLP C[C@@H](O)C[N@@H+]1CCO[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001378652683 898382819 /nfs/dbraw/zinc/38/28/19/898382819.db2.gz MOMFFGIKPRTRDV-CHWSQXEVSA-N 2 2 299.415 -0.332 20 0 CBADLP C[C@@H](O)C[N@H+]1CCO[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001378652683 898382834 /nfs/dbraw/zinc/38/28/34/898382834.db2.gz MOMFFGIKPRTRDV-CHWSQXEVSA-N 2 2 299.415 -0.332 20 0 CBADLP C[C@H]([NH2+]C1(CNC(=O)Cc2c[nH]c[nH+]2)CCCC1)C(N)=O ZINC001378708549 898396213 /nfs/dbraw/zinc/39/62/13/898396213.db2.gz HBGMYBNTZZDCJP-JTQLQIEISA-N 2 2 293.371 -0.155 20 0 CBADLP C[C@@H](C[NH2+]CC(N)=O)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC001378804544 898411718 /nfs/dbraw/zinc/41/17/18/898411718.db2.gz AQKJOSGTVGVDKS-JTQLQIEISA-N 2 2 289.339 -0.130 20 0 CBADLP CC(C)[C@@H](CCNC(=O)Cc1c[nH+]cn1C)[NH2+]CC(N)=O ZINC001378977749 898438719 /nfs/dbraw/zinc/43/87/19/898438719.db2.gz HMMOAVKZCZLOKN-GFCCVEGCSA-N 2 2 295.387 -0.432 20 0 CBADLP CC(C)[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001379203339 898503936 /nfs/dbraw/zinc/50/39/36/898503936.db2.gz AKTKPPKGHVACDO-NWDGAFQWSA-N 2 2 280.372 -0.079 20 0 CBADLP CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1nnc(C)o1)[NH+](C)C ZINC001379258989 898527967 /nfs/dbraw/zinc/52/79/67/898527967.db2.gz NJXQFOKEPLOZNO-QWRGUYRKSA-N 2 2 299.375 -0.715 20 0 CBADLP COC[C@@H](O)C[NH2+][C@@H](C)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001379276138 898533362 /nfs/dbraw/zinc/53/33/62/898533362.db2.gz LGRUURIPMZOHBV-AAEUAGOBSA-N 2 2 298.387 -0.594 20 0 CBADLP CCN(CC[NH2+][C@@H]1CCN(C)C1=O)C(=O)Cc1c[nH+]c[nH]1 ZINC001379317002 898548431 /nfs/dbraw/zinc/54/84/31/898548431.db2.gz BUEDJMQYHFGMRF-GFCCVEGCSA-N 2 2 293.371 -0.379 20 0 CBADLP CCN(CC[NH2+][C@H]1CCN(C)C1=O)C(=O)Cn1cc[nH+]c1 ZINC001379324938 898552963 /nfs/dbraw/zinc/55/29/63/898552963.db2.gz UXUMTPSMDFZNFC-LBPRGKRZSA-N 2 2 293.371 -0.448 20 0 CBADLP CC[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc1ccon1)[NH+](C)C ZINC001379435269 898613635 /nfs/dbraw/zinc/61/36/35/898613635.db2.gz LEKAVRYTCCSAPF-NWDGAFQWSA-N 2 2 284.360 -0.419 20 0 CBADLP COC[C@H](O)C[NH2+]C[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001379456985 898620724 /nfs/dbraw/zinc/62/07/24/898620724.db2.gz AMYVQRFRKFVXHX-MWLCHTKSSA-N 2 2 284.360 -0.638 20 0 CBADLP CC1CC(C[NH2+][C@H](CO)CNC(=O)Cn2cc[nH+]c2)C1 ZINC001379537162 898661598 /nfs/dbraw/zinc/66/15/98/898661598.db2.gz JZMHLQOPEANLEM-BPCQOVAHSA-N 2 2 280.372 -0.004 20 0 CBADLP C[C@@H](C[NH2+]CC(N)=O)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001379556757 898665745 /nfs/dbraw/zinc/66/57/45/898665745.db2.gz XUCVHSDMLBHSRI-IVZWLZJFSA-N 2 2 279.344 -0.897 20 0 CBADLP CCN1CC[C@H]([NH2+]C[C@H](C)NC(=O)Cc2c[nH]c[nH+]2)C1=O ZINC001379562811 898667800 /nfs/dbraw/zinc/66/78/00/898667800.db2.gz JPNALLULRNTYJE-JQWIXIFHSA-N 2 2 293.371 -0.333 20 0 CBADLP NC(=O)C[NH2+]C[C@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001379802586 898734686 /nfs/dbraw/zinc/73/46/86/898734686.db2.gz GLTDUNVOYSDLQY-VXGBXAGGSA-N 2 2 293.371 -0.367 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@@H](C[NH2+][C@H]1CCNC1=O)C1CC1 ZINC001379917428 898758870 /nfs/dbraw/zinc/75/88/70/898758870.db2.gz MILWEHWXJRCXQL-RYUDHWBXSA-N 2 2 291.355 -0.744 20 0 CBADLP COC[C@@H](O)C[N@@H+]1CC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001380036974 898789229 /nfs/dbraw/zinc/78/92/29/898789229.db2.gz RZSVTJAXEFQVRK-STQMWFEESA-N 2 2 285.388 -0.720 20 0 CBADLP COC[C@@H](O)C[N@H+]1CC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001380036974 898789245 /nfs/dbraw/zinc/78/92/45/898789245.db2.gz RZSVTJAXEFQVRK-STQMWFEESA-N 2 2 285.388 -0.720 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NCC1([NH2+]CCn2cncn2)CC1 ZINC001380149270 898822177 /nfs/dbraw/zinc/82/21/77/898822177.db2.gz DLELFYBZJUXJDM-UHFFFAOYSA-N 2 2 289.343 -0.518 20 0 CBADLP COC[C@@H](O)C[NH+]1CC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001380230851 898839102 /nfs/dbraw/zinc/83/91/02/898839102.db2.gz CANOXGVLRZSFCU-UONOGXRCSA-N 2 2 299.415 -0.379 20 0 CBADLP COC[C@@H](O)C[NH+]1CC(N(C)C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001380230851 898839112 /nfs/dbraw/zinc/83/91/12/898839112.db2.gz CANOXGVLRZSFCU-UONOGXRCSA-N 2 2 299.415 -0.379 20 0 CBADLP COC[C@@H](O)C[NH+]1CC(N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001380257290 898843464 /nfs/dbraw/zinc/84/34/64/898843464.db2.gz OMTVZCHUSAIHJQ-ZDUSSCGKSA-N 2 2 296.371 -0.659 20 0 CBADLP C[C@@H](CC(=O)N1CCC[C@H]1C[NH2+]CC(N)=O)n1cc[nH+]c1 ZINC001380280983 898846098 /nfs/dbraw/zinc/84/60/98/898846098.db2.gz DFLKZULXCICPIJ-RYUDHWBXSA-N 2 2 293.371 -0.100 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)N[C@]1(C)CC[N@H+](CCO)C1 ZINC001380358405 898861432 /nfs/dbraw/zinc/86/14/32/898861432.db2.gz NEMJORLZJRDDPV-CQSZACIVSA-N 2 2 280.372 -0.074 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)N[C@]1(C)CC[N@@H+](CCO)C1 ZINC001380358405 898861447 /nfs/dbraw/zinc/86/14/47/898861447.db2.gz NEMJORLZJRDDPV-CQSZACIVSA-N 2 2 280.372 -0.074 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@]1(O)CC[N@H+](CCO)C1 ZINC001380555289 898897530 /nfs/dbraw/zinc/89/75/30/898897530.db2.gz UBFDVWXBUXEPRC-BXUZGUMPSA-N 2 2 296.371 -0.866 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@]1(O)CC[N@@H+](CCO)C1 ZINC001380555289 898897538 /nfs/dbraw/zinc/89/75/38/898897538.db2.gz UBFDVWXBUXEPRC-BXUZGUMPSA-N 2 2 296.371 -0.866 20 0 CBADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@]1(O)CC[N@H+](CCO)C1 ZINC001380555289 898897548 /nfs/dbraw/zinc/89/75/48/898897548.db2.gz UBFDVWXBUXEPRC-BXUZGUMPSA-N 2 2 296.371 -0.866 20 0 CBADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@]1(O)CC[N@@H+](CCO)C1 ZINC001380555289 898897563 /nfs/dbraw/zinc/89/75/63/898897563.db2.gz UBFDVWXBUXEPRC-BXUZGUMPSA-N 2 2 296.371 -0.866 20 0 CBADLP C[C@H](O)C[NH+]1CC(O)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001380597720 898917119 /nfs/dbraw/zinc/91/71/19/898917119.db2.gz HPDJERADPLDLGC-LBPRGKRZSA-N 2 2 297.399 -0.842 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]([C@H](C)[NH2+]CC(N)=O)C1 ZINC001380661514 898931858 /nfs/dbraw/zinc/93/18/58/898931858.db2.gz CRDNQKRCWNOAIG-ONGXEEELSA-N 2 2 293.371 -0.427 20 0 CBADLP CNC(=O)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001380688607 898933823 /nfs/dbraw/zinc/93/38/23/898933823.db2.gz XRECVAJWBSWHEY-GHMZBOCLSA-N 2 2 293.371 -0.475 20 0 CBADLP C[C@H](O)C[NH2+]C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CCO1 ZINC001380908605 898969564 /nfs/dbraw/zinc/96/95/64/898969564.db2.gz KOZNCKQBZVMRDR-AAEUAGOBSA-N 2 2 296.371 -0.460 20 0 CBADLP C[C@H](O)C[NH2+]C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CCO1 ZINC001380908605 898969573 /nfs/dbraw/zinc/96/95/73/898969573.db2.gz KOZNCKQBZVMRDR-AAEUAGOBSA-N 2 2 296.371 -0.460 20 0 CBADLP C[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CCO1 ZINC001380908616 898971207 /nfs/dbraw/zinc/97/12/07/898971207.db2.gz KOZNCKQBZVMRDR-DGCLKSJQSA-N 2 2 296.371 -0.460 20 0 CBADLP C[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CCO1 ZINC001380908616 898971210 /nfs/dbraw/zinc/97/12/10/898971210.db2.gz KOZNCKQBZVMRDR-DGCLKSJQSA-N 2 2 296.371 -0.460 20 0 CBADLP CN(CCC[N@H+](C)[C@H]1CCNC1=O)C(=O)Cc1c[nH+]c[nH]1 ZINC001380973129 898983096 /nfs/dbraw/zinc/98/30/96/898983096.db2.gz TUGYWPXKEIMSKG-LBPRGKRZSA-N 2 2 293.371 -0.379 20 0 CBADLP CN(CCC[N@@H+](C)[C@H]1CCNC1=O)C(=O)Cc1c[nH+]c[nH]1 ZINC001380973129 898983106 /nfs/dbraw/zinc/98/31/06/898983106.db2.gz TUGYWPXKEIMSKG-LBPRGKRZSA-N 2 2 293.371 -0.379 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N[C@H]1COC2(C[NH+](CCCO)C2)C1 ZINC001381013719 898985083 /nfs/dbraw/zinc/98/50/83/898985083.db2.gz HAYGLTPYRKABHH-CYBMUJFWSA-N 2 2 299.415 -0.332 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N[C@H]1COC2(C[NH+](CCCO)C2)C1 ZINC001381013719 898985091 /nfs/dbraw/zinc/98/50/91/898985091.db2.gz HAYGLTPYRKABHH-CYBMUJFWSA-N 2 2 299.415 -0.332 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@](CO)([NH2+]CCF)C1 ZINC001381046864 898990257 /nfs/dbraw/zinc/99/02/57/898990257.db2.gz PHZZFEJBFBUDGS-AWEZNQCLSA-N 2 2 298.362 -0.125 20 0 CBADLP C[C@@H](CCNC(=O)CCn1cc[nH+]c1)[NH2+]CC(=O)N(C)C ZINC001381205544 899011824 /nfs/dbraw/zinc/01/18/24/899011824.db2.gz FNFDGJQXQOTOAV-LBPRGKRZSA-N 2 2 295.387 -0.154 20 0 CBADLP CO[C@@H](C)C[NH+]1CC(CCO)(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001381650021 899100783 /nfs/dbraw/zinc/10/07/83/899100783.db2.gz JDAYNXMKKQVURC-STQMWFEESA-N 2 2 299.415 -0.332 20 0 CBADLP CO[C@@H](C)C[NH+]1CC(CCO)(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001381650021 899100785 /nfs/dbraw/zinc/10/07/85/899100785.db2.gz JDAYNXMKKQVURC-STQMWFEESA-N 2 2 299.415 -0.332 20 0 CBADLP C[C@H]1C[C@@H](C(=O)NC2(CCO)C[NH+](CCO)C2)CC[N@@H+]1C ZINC001381694152 899106694 /nfs/dbraw/zinc/10/66/94/899106694.db2.gz ZSNIREZBEHZDIX-STQMWFEESA-N 2 2 299.415 -0.738 20 0 CBADLP C[C@H]1C[C@@H](C(=O)NC2(CCO)C[NH+](CCO)C2)CC[N@H+]1C ZINC001381694152 899106698 /nfs/dbraw/zinc/10/66/98/899106698.db2.gz ZSNIREZBEHZDIX-STQMWFEESA-N 2 2 299.415 -0.738 20 0 CBADLP CC[C@@H]([NH2+][C@@H](C)CN(C)C(=O)Cc1c[nH+]cn1C)C(N)=O ZINC001382148139 899166781 /nfs/dbraw/zinc/16/67/81/899166781.db2.gz FNZMXTQGOWUKTM-CMPLNLGQSA-N 2 2 295.387 -0.337 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H](CO)[NH2+]C[C@@H]1CCCCO1 ZINC001382252783 899212379 /nfs/dbraw/zinc/21/23/79/899212379.db2.gz JNKAPUZCWZRDRC-NEPJUHHUSA-N 2 2 296.371 -0.412 20 0 CBADLP C[C@H](F)CC[NH2+][C@@H](CO)CNC(=O)Cc1c[nH+]cn1C ZINC001382262750 899217379 /nfs/dbraw/zinc/21/73/79/899217379.db2.gz CMJSJYCNYKKETF-WDEREUQCSA-N 2 2 286.351 -0.223 20 0 CBADLP CO[C@@H](C)C[NH2+][C@@H](CO)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001382280514 899234764 /nfs/dbraw/zinc/23/47/64/899234764.db2.gz VYFCNMWYZMUIDW-GXSJLCMTSA-N 2 2 284.360 -0.638 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N(C)C[C@@H](O)C[N@H+](C)CCF ZINC001382458361 899302201 /nfs/dbraw/zinc/30/22/01/899302201.db2.gz HDTIKJNYFKFHMF-LBPRGKRZSA-N 2 2 286.351 -0.088 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N(C)C[C@@H](O)C[N@@H+](C)CCF ZINC001382458361 899302211 /nfs/dbraw/zinc/30/22/11/899302211.db2.gz HDTIKJNYFKFHMF-LBPRGKRZSA-N 2 2 286.351 -0.088 20 0 CBADLP CN(C[C@H](O)C[N@H+](C)CCO)C(=O)CCc1[nH+]ccn1C ZINC001382461568 899308214 /nfs/dbraw/zinc/30/82/14/899308214.db2.gz OKMFLVGXIKTIFT-GFCCVEGCSA-N 2 2 298.387 -0.904 20 0 CBADLP CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)CCc1[nH+]ccn1C ZINC001382461568 899308230 /nfs/dbraw/zinc/30/82/30/899308230.db2.gz OKMFLVGXIKTIFT-GFCCVEGCSA-N 2 2 298.387 -0.904 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@H](O)C[N@@H+](C)C[C@@H](C)O ZINC001382485300 899317114 /nfs/dbraw/zinc/31/71/14/899317114.db2.gz VWTGSPQJGDUYAS-ZYHUDNBSSA-N 2 2 298.387 -0.607 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@H](O)C[N@H+](C)C[C@@H](C)O ZINC001382485300 899317122 /nfs/dbraw/zinc/31/71/22/899317122.db2.gz VWTGSPQJGDUYAS-ZYHUDNBSSA-N 2 2 298.387 -0.607 20 0 CBADLP CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)CC[NH+](C)C ZINC001388651648 899899221 /nfs/dbraw/zinc/89/92/21/899899221.db2.gz XTIFJMMRASINCN-LBPRGKRZSA-N 2 2 284.404 -0.393 20 0 CBADLP CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)CC[NH+](C)C ZINC001388651648 899899234 /nfs/dbraw/zinc/89/92/34/899899234.db2.gz XTIFJMMRASINCN-LBPRGKRZSA-N 2 2 284.404 -0.393 20 0 CBADLP C[C@H]([NH2+][C@H]1C[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1)C(N)=O ZINC001388727384 899905131 /nfs/dbraw/zinc/90/51/31/899905131.db2.gz KEGNTXUOFQRJQC-GUBZILKMSA-N 2 2 279.344 -0.690 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC[C@H]1CC[C@@H]([NH2+]CCO)C1 ZINC001388758633 899906384 /nfs/dbraw/zinc/90/63/84/899906384.db2.gz JEJFVCNDOJNGMO-NWDGAFQWSA-N 2 2 280.372 -0.171 20 0 CBADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)NC(=O)C[NH+]1CCCC1 ZINC001389185380 899968112 /nfs/dbraw/zinc/96/81/12/899968112.db2.gz TZNSWNYAEAUBAW-LLVKDONJSA-N 2 2 293.371 -0.331 20 0 CBADLP CC[NH+](CC)CC(=O)N[C@@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001389366018 900002960 /nfs/dbraw/zinc/00/29/60/900002960.db2.gz CBMRKJMWIVOJNS-NSHDSACASA-N 2 2 295.387 -0.085 20 0 CBADLP C[C@@H](CNC(=O)CC[NH+](C)C)NC(=O)Cn1cc[nH+]c1 ZINC001389415100 900010172 /nfs/dbraw/zinc/01/01/72/900010172.db2.gz DJKAIAMNXQMRQG-NSHDSACASA-N 2 2 281.360 -0.544 20 0 CBADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)NC(=O)CCC[NH+](C)C ZINC001389481045 900026932 /nfs/dbraw/zinc/02/69/32/900026932.db2.gz JNMIQXJNFUVTQB-NSHDSACASA-N 2 2 295.387 -0.085 20 0 CBADLP CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001389794812 900073487 /nfs/dbraw/zinc/07/34/87/900073487.db2.gz GHOKIQLGUNPDPY-LBPRGKRZSA-N 2 2 293.371 -0.400 20 0 CBADLP O=C(CCn1cc[nH+]c1)N[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001389989125 900101484 /nfs/dbraw/zinc/10/14/84/900101484.db2.gz YRUGTSKXPYAVOQ-GRYCIOLGSA-N 2 2 291.355 -0.602 20 0 CBADLP Cc1cn(C(C)(C)C(=O)NC[C@H](C)[NH2+]CC(N)=O)c[nH+]1 ZINC001390406059 900153340 /nfs/dbraw/zinc/15/33/40/900153340.db2.gz FWWLVXOKVLHMAM-VIFPVBQESA-N 2 2 281.360 -0.494 20 0 CBADLP C[C@@H](CNC(=O)CCn1cc[nH+]c1)[NH2+][C@H]1CCN(C)C1=O ZINC001390461769 900167968 /nfs/dbraw/zinc/16/79/68/900167968.db2.gz SQEVAZDCCULJLT-RYUDHWBXSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CCN1CCNC1=O ZINC001390480193 900170668 /nfs/dbraw/zinc/17/06/68/900170668.db2.gz HVRYSPWFSZQPHY-JTQLQIEISA-N 2 2 294.359 -0.928 20 0 CBADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CCN1CCNC1=O ZINC001390480199 900170946 /nfs/dbraw/zinc/17/09/46/900170946.db2.gz HVRYSPWFSZQPHY-SNVBAGLBSA-N 2 2 294.359 -0.928 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)[NH2+][C@@H]1CCNC1=O ZINC001390523992 900183368 /nfs/dbraw/zinc/18/33/68/900183368.db2.gz NEWBPKSGLCTNGO-WCBMZHEXSA-N 2 2 279.344 -0.757 20 0 CBADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001390540579 900187474 /nfs/dbraw/zinc/18/74/74/900187474.db2.gz GILDMNSRQQITQX-QWRGUYRKSA-N 2 2 293.371 -0.356 20 0 CBADLP C[NH+](C)Cc1ccsc1C(=O)NCC[N@@H+](C)CC(N)=O ZINC001390761612 900235331 /nfs/dbraw/zinc/23/53/31/900235331.db2.gz OGSYVXKDNFDCIH-UHFFFAOYSA-N 2 2 298.412 -0.043 20 0 CBADLP C[NH+](C)Cc1ccsc1C(=O)NCC[N@H+](C)CC(N)=O ZINC001390761612 900235319 /nfs/dbraw/zinc/23/53/19/900235319.db2.gz OGSYVXKDNFDCIH-UHFFFAOYSA-N 2 2 298.412 -0.043 20 0 CBADLP C[N@H+](CCNC(=O)C12CCC[NH+]1CCC2)[C@@H]1CCNC1=O ZINC001390781912 900245920 /nfs/dbraw/zinc/24/59/20/900245920.db2.gz NEZOKJJKHNUMCU-GFCCVEGCSA-N 2 2 294.399 -0.449 20 0 CBADLP C[N@@H+](CCNC(=O)C12CCC[NH+]1CCC2)[C@@H]1CCNC1=O ZINC001390781912 900245934 /nfs/dbraw/zinc/24/59/34/900245934.db2.gz NEZOKJJKHNUMCU-GFCCVEGCSA-N 2 2 294.399 -0.449 20 0 CBADLP CC[C@H](C(N)=O)[N@H+](CC)CCNC(=O)Cn1c[nH+]cc1C ZINC001390942807 900281523 /nfs/dbraw/zinc/28/15/23/900281523.db2.gz ZOUXFYSJOVNUHE-GFCCVEGCSA-N 2 2 295.387 -0.106 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+](CC)CCNC(=O)Cn1c[nH+]cc1C ZINC001390942807 900281525 /nfs/dbraw/zinc/28/15/25/900281525.db2.gz ZOUXFYSJOVNUHE-GFCCVEGCSA-N 2 2 295.387 -0.106 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001391109700 900314707 /nfs/dbraw/zinc/31/47/07/900314707.db2.gz NDUDTRQEQNXAQL-QWRGUYRKSA-N 2 2 293.371 -0.475 20 0 CBADLP CNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001391109700 900314719 /nfs/dbraw/zinc/31/47/19/900314719.db2.gz NDUDTRQEQNXAQL-QWRGUYRKSA-N 2 2 293.371 -0.475 20 0 CBADLP COC[C@@H](O)C[N@@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001391115402 900316148 /nfs/dbraw/zinc/31/61/48/900316148.db2.gz IEUMBKMAQBOLNA-OLZOCXBDSA-N 2 2 296.371 -0.672 20 0 CBADLP COC[C@@H](O)C[N@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001391115402 900316159 /nfs/dbraw/zinc/31/61/59/900316159.db2.gz IEUMBKMAQBOLNA-OLZOCXBDSA-N 2 2 296.371 -0.672 20 0 CBADLP CCNC(=O)C[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)C1CC1 ZINC001391156694 900326859 /nfs/dbraw/zinc/32/68/59/900326859.db2.gz RUSKNBYRGFCKRX-CYBMUJFWSA-N 2 2 296.415 -0.203 20 0 CBADLP CCNC(=O)C[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)C1CC1 ZINC001391156694 900326873 /nfs/dbraw/zinc/32/68/73/900326873.db2.gz RUSKNBYRGFCKRX-CYBMUJFWSA-N 2 2 296.415 -0.203 20 0 CBADLP CCNC(=O)C[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001391156694 900326892 /nfs/dbraw/zinc/32/68/92/900326892.db2.gz RUSKNBYRGFCKRX-CYBMUJFWSA-N 2 2 296.415 -0.203 20 0 CBADLP CCNC(=O)C[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001391156694 900326907 /nfs/dbraw/zinc/32/69/07/900326907.db2.gz RUSKNBYRGFCKRX-CYBMUJFWSA-N 2 2 296.415 -0.203 20 0 CBADLP C[C@H](CC(=O)N(C)CC[NH2+][C@@H]1CCNC1=O)n1cc[nH+]c1 ZINC001391214512 900339150 /nfs/dbraw/zinc/33/91/50/900339150.db2.gz OZJRJHIWWAFCSE-VXGBXAGGSA-N 2 2 293.371 -0.229 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CC[NH2+][C@H](C)C(N)=O ZINC001391211242 900341058 /nfs/dbraw/zinc/34/10/58/900341058.db2.gz HFLXOYWXKPBZJF-NXEZZACHSA-N 2 2 281.360 -0.490 20 0 CBADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CC[NH2+][C@H](C)C(N)=O ZINC001391211242 900341074 /nfs/dbraw/zinc/34/10/74/900341074.db2.gz HFLXOYWXKPBZJF-NXEZZACHSA-N 2 2 281.360 -0.490 20 0 CBADLP C[C@@H](CNC(=O)CC[NH+](C)C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001391326909 900357042 /nfs/dbraw/zinc/35/70/42/900357042.db2.gz DECQOSOBHQCLLV-NSHDSACASA-N 2 2 295.387 -0.228 20 0 CBADLP O=C(C[NH+]1CCCC1)NCC1C[NH+]([C@H]2CCNC2=O)C1 ZINC001391511985 900399144 /nfs/dbraw/zinc/39/91/44/900399144.db2.gz DPYXOGYDCUXBEK-LBPRGKRZSA-N 2 2 280.372 -0.981 20 0 CBADLP CCC[N@H+](C)CC(=O)NCC1C[NH+](CC(=O)N(C)C)C1 ZINC001391517655 900399576 /nfs/dbraw/zinc/39/95/76/900399576.db2.gz SGUAROKJDXKQGS-UHFFFAOYSA-N 2 2 284.404 -0.536 20 0 CBADLP CCC[N@@H+](C)CC(=O)NCC1C[NH+](CC(=O)N(C)C)C1 ZINC001391517655 900399580 /nfs/dbraw/zinc/39/95/80/900399580.db2.gz SGUAROKJDXKQGS-UHFFFAOYSA-N 2 2 284.404 -0.536 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CC(=O)NC2CC2)C1 ZINC001391593081 900417647 /nfs/dbraw/zinc/41/76/47/900417647.db2.gz COKYWLJXGLYUIR-CYBMUJFWSA-N 2 2 296.415 -0.204 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](CC(=O)NC2CC2)C1 ZINC001391593081 900417653 /nfs/dbraw/zinc/41/76/53/900417653.db2.gz COKYWLJXGLYUIR-CYBMUJFWSA-N 2 2 296.415 -0.204 20 0 CBADLP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001391593081 900417660 /nfs/dbraw/zinc/41/76/60/900417660.db2.gz COKYWLJXGLYUIR-CYBMUJFWSA-N 2 2 296.415 -0.204 20 0 CBADLP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001391593081 900417664 /nfs/dbraw/zinc/41/76/64/900417664.db2.gz COKYWLJXGLYUIR-CYBMUJFWSA-N 2 2 296.415 -0.204 20 0 CBADLP CC[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CC(=O)N(C)C ZINC001391722361 900438895 /nfs/dbraw/zinc/43/88/95/900438895.db2.gz CMYGUOBPXWQJQP-JTQLQIEISA-N 2 2 281.360 -0.475 20 0 CBADLP CC[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CC(=O)N(C)C ZINC001391722364 900439556 /nfs/dbraw/zinc/43/95/56/900439556.db2.gz CMYGUOBPXWQJQP-SNVBAGLBSA-N 2 2 281.360 -0.475 20 0 CBADLP CN(CCN(C)C(=O)Cn1cc[nH+]c1)C(=O)CC[NH+](C)C ZINC001391858129 900452965 /nfs/dbraw/zinc/45/29/65/900452965.db2.gz QSLMFVUUVGSIAA-UHFFFAOYSA-N 2 2 295.387 -0.248 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C[NH2+]Cc1nnn(C)n1 ZINC001391882618 900458751 /nfs/dbraw/zinc/45/87/51/900458751.db2.gz RYZOFMUDNMUIKR-GHMZBOCLSA-N 2 2 295.391 -0.854 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)C[NH2+]Cc1nnn(C)n1 ZINC001391882618 900458764 /nfs/dbraw/zinc/45/87/64/900458764.db2.gz RYZOFMUDNMUIKR-GHMZBOCLSA-N 2 2 295.391 -0.854 20 0 CBADLP C[C@@H](CNC(=O)CCc1c[nH+]cn1C)C[NH2+][C@@H](C)C(N)=O ZINC001391951305 900469319 /nfs/dbraw/zinc/46/93/19/900469319.db2.gz FCHSBYLUGFLIBE-MNOVXSKESA-N 2 2 295.387 -0.432 20 0 CBADLP COCC[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001391969382 900478168 /nfs/dbraw/zinc/47/81/68/900478168.db2.gz GFCHBTLJOCABBT-CQSZACIVSA-N 2 2 299.415 -0.066 20 0 CBADLP COCC[N@H+]1CCO[C@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001391969382 900478175 /nfs/dbraw/zinc/47/81/75/900478175.db2.gz GFCHBTLJOCABBT-CQSZACIVSA-N 2 2 299.415 -0.066 20 0 CBADLP COCC[NH+]1CCO[C@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001391969382 900478180 /nfs/dbraw/zinc/47/81/80/900478180.db2.gz GFCHBTLJOCABBT-CQSZACIVSA-N 2 2 299.415 -0.066 20 0 CBADLP COCC[NH+]1CCO[C@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001391969382 900478186 /nfs/dbraw/zinc/47/81/86/900478186.db2.gz GFCHBTLJOCABBT-CQSZACIVSA-N 2 2 299.415 -0.066 20 0 CBADLP C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)Cc1[nH]cc[nH+]1)C(=O)N(C)C ZINC001392113999 900515078 /nfs/dbraw/zinc/51/50/78/900515078.db2.gz SEMJNBSCIMLTMF-WDEREUQCSA-N 2 2 295.387 -0.135 20 0 CBADLP COC[C@@H](O)C[NH2+]C[C@H](C)N(C)C(=O)Cn1cc[nH+]c1 ZINC001392139502 900520407 /nfs/dbraw/zinc/52/04/07/900520407.db2.gz HQGPSMJNHOUBDT-RYUDHWBXSA-N 2 2 284.360 -0.673 20 0 CBADLP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC001392175195 900527101 /nfs/dbraw/zinc/52/71/01/900527101.db2.gz AUWIZGNEGWYTPT-WDEREUQCSA-N 2 2 293.371 -0.475 20 0 CBADLP CC(C)[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@@H]1CCNC1=O ZINC001392248216 900538163 /nfs/dbraw/zinc/53/81/63/900538163.db2.gz PBJOFBPBRXXYDD-NEPJUHHUSA-N 2 2 293.371 -0.429 20 0 CBADLP CCNC(=O)C[N@H+](C)CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001392302349 900555079 /nfs/dbraw/zinc/55/50/79/900555079.db2.gz GINQZGBFHVMOBF-UHFFFAOYSA-N 2 2 298.431 -0.146 20 0 CBADLP CCNC(=O)C[N@@H+](C)CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001392302349 900555082 /nfs/dbraw/zinc/55/50/82/900555082.db2.gz GINQZGBFHVMOBF-UHFFFAOYSA-N 2 2 298.431 -0.146 20 0 CBADLP O=C(NC[C@@H](O)C[NH2+]CC1CC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001392383927 900598087 /nfs/dbraw/zinc/59/80/87/900598087.db2.gz UEWCIAWJWMCNHF-OCCSQVGLSA-N 2 2 292.383 -0.078 20 0 CBADLP CO[C@@H](C)C[NH2+]C[C@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001392405769 900606348 /nfs/dbraw/zinc/60/63/48/900606348.db2.gz LNXAPLABDMFTDB-ONGXEEELSA-N 2 2 270.333 -0.946 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@H](O)C[NH2+]Cc1ccccn1 ZINC001392419107 900612171 /nfs/dbraw/zinc/61/21/71/900612171.db2.gz ABMRAFXTIGXCPC-CYBMUJFWSA-N 2 2 289.339 -0.455 20 0 CBADLP COC[C@H](O)C[N@H+](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001392726899 900714412 /nfs/dbraw/zinc/71/44/12/900714412.db2.gz TXGLAQFGQRMNJX-VXGBXAGGSA-N 2 2 284.360 -0.673 20 0 CBADLP C[C@H](C[N@H+](C)[C@H]1CCCNC1=O)NC(=O)Cn1cc[nH+]c1 ZINC001392727209 900714360 /nfs/dbraw/zinc/71/43/60/900714360.db2.gz VYWLNZIGZSKLTA-NEPJUHHUSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@H](C[N@@H+](C)[C@H]1CCCNC1=O)NC(=O)Cn1cc[nH+]c1 ZINC001392727209 900714366 /nfs/dbraw/zinc/71/43/66/900714366.db2.gz VYWLNZIGZSKLTA-NEPJUHHUSA-N 2 2 293.371 -0.402 20 0 CBADLP COC[C@H](O)C[N@@H+](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001392726899 900714423 /nfs/dbraw/zinc/71/44/23/900714423.db2.gz TXGLAQFGQRMNJX-VXGBXAGGSA-N 2 2 284.360 -0.673 20 0 CBADLP C[C@H]([NH2+]C[C@H](NC(=O)Cc1c[nH+]cn1C)C1CC1)C(N)=O ZINC001392795822 900727562 /nfs/dbraw/zinc/72/75/62/900727562.db2.gz DIZFZUORVVZFAZ-CABZTGNLSA-N 2 2 293.371 -0.679 20 0 CBADLP COC[C@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001392861292 900744150 /nfs/dbraw/zinc/74/41/50/900744150.db2.gz QDJFYUQKPWAXLS-MCIONIFRSA-N 2 2 299.415 -0.332 20 0 CBADLP COC[C@H](O)C[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001392861292 900744157 /nfs/dbraw/zinc/74/41/57/900744157.db2.gz QDJFYUQKPWAXLS-MCIONIFRSA-N 2 2 299.415 -0.332 20 0 CBADLP COC[C@H](O)C[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001392861292 900744165 /nfs/dbraw/zinc/74/41/65/900744165.db2.gz QDJFYUQKPWAXLS-MCIONIFRSA-N 2 2 299.415 -0.332 20 0 CBADLP COC[C@H](O)C[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001392861292 900744173 /nfs/dbraw/zinc/74/41/73/900744173.db2.gz QDJFYUQKPWAXLS-MCIONIFRSA-N 2 2 299.415 -0.332 20 0 CBADLP CC[N@H+](C)CCC(=O)NC[C@@H]1CC[NH+]1[C@@H]1CCN(C)C1=O ZINC001392873810 900747551 /nfs/dbraw/zinc/74/75/51/900747551.db2.gz YOMAGYXDQTVSTA-QWHCGFSZSA-N 2 2 296.415 -0.251 20 0 CBADLP CC[N@@H+](C)CCC(=O)NC[C@@H]1CC[NH+]1[C@@H]1CCN(C)C1=O ZINC001392873810 900747561 /nfs/dbraw/zinc/74/75/61/900747561.db2.gz YOMAGYXDQTVSTA-QWHCGFSZSA-N 2 2 296.415 -0.251 20 0 CBADLP CC[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+]1[C@@H]1CCN(C)C1=O ZINC001392873810 900747571 /nfs/dbraw/zinc/74/75/71/900747571.db2.gz YOMAGYXDQTVSTA-QWHCGFSZSA-N 2 2 296.415 -0.251 20 0 CBADLP CC[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+]1[C@@H]1CCN(C)C1=O ZINC001392873810 900747578 /nfs/dbraw/zinc/74/75/78/900747578.db2.gz YOMAGYXDQTVSTA-QWHCGFSZSA-N 2 2 296.415 -0.251 20 0 CBADLP CCC[N@H+](C)CC(=O)NC[C@@H]1CC[NH+]1[C@H]1CCNC1=O ZINC001392873130 900748145 /nfs/dbraw/zinc/74/81/45/900748145.db2.gz QBBJEALSAWWYLQ-RYUDHWBXSA-N 2 2 282.388 -0.593 20 0 CBADLP CCC[N@@H+](C)CC(=O)NC[C@@H]1CC[NH+]1[C@H]1CCNC1=O ZINC001392873130 900748151 /nfs/dbraw/zinc/74/81/51/900748151.db2.gz QBBJEALSAWWYLQ-RYUDHWBXSA-N 2 2 282.388 -0.593 20 0 CBADLP CCC[NH+](C)CC(=O)NC[C@@H]1CC[N@@H+]1[C@H]1CCNC1=O ZINC001392873130 900748168 /nfs/dbraw/zinc/74/81/68/900748168.db2.gz QBBJEALSAWWYLQ-RYUDHWBXSA-N 2 2 282.388 -0.593 20 0 CBADLP CCC[NH+](C)CC(=O)NC[C@@H]1CC[N@H+]1[C@H]1CCNC1=O ZINC001392873130 900748178 /nfs/dbraw/zinc/74/81/78/900748178.db2.gz QBBJEALSAWWYLQ-RYUDHWBXSA-N 2 2 282.388 -0.593 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001393026420 900780840 /nfs/dbraw/zinc/78/08/40/900780840.db2.gz OSVOEUUWMVDIRY-QWRGUYRKSA-N 2 2 293.371 -0.475 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001393026420 900780846 /nfs/dbraw/zinc/78/08/46/900780846.db2.gz OSVOEUUWMVDIRY-QWRGUYRKSA-N 2 2 293.371 -0.475 20 0 CBADLP CC[C@@H](C(=O)N[C@@]1(C)CC[N@H+](CC(N)=O)C1)[NH+](C)C ZINC001393115909 900797724 /nfs/dbraw/zinc/79/77/24/900797724.db2.gz OXSYKZRNJJPQTQ-GWCFXTLKSA-N 2 2 270.377 -0.608 20 0 CBADLP CC[C@@H](C(=O)N[C@@]1(C)CC[N@@H+](CC(N)=O)C1)[NH+](C)C ZINC001393115909 900797736 /nfs/dbraw/zinc/79/77/36/900797736.db2.gz OXSYKZRNJJPQTQ-GWCFXTLKSA-N 2 2 270.377 -0.608 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001393122086 900797883 /nfs/dbraw/zinc/79/78/83/900797883.db2.gz LJIJJNYXCQIMCA-AWEZNQCLSA-N 2 2 282.388 -0.591 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001393122086 900797892 /nfs/dbraw/zinc/79/78/92/900797892.db2.gz LJIJJNYXCQIMCA-AWEZNQCLSA-N 2 2 282.388 -0.591 20 0 CBADLP C[C@H](O)C[N@@H+]1CC[C@](O)(CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001393256820 900818928 /nfs/dbraw/zinc/81/89/28/900818928.db2.gz SCFAESFCYYPHHG-FZMZJTMJSA-N 2 2 296.371 -0.724 20 0 CBADLP C[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001393256820 900818932 /nfs/dbraw/zinc/81/89/32/900818932.db2.gz SCFAESFCYYPHHG-FZMZJTMJSA-N 2 2 296.371 -0.724 20 0 CBADLP C[C@H](O)C[N@@H+]1CC[C@](O)(CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001393256820 900818934 /nfs/dbraw/zinc/81/89/34/900818934.db2.gz SCFAESFCYYPHHG-FZMZJTMJSA-N 2 2 296.371 -0.724 20 0 CBADLP C[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001393256820 900818940 /nfs/dbraw/zinc/81/89/40/900818940.db2.gz SCFAESFCYYPHHG-FZMZJTMJSA-N 2 2 296.371 -0.724 20 0 CBADLP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1(O)C[NH+](C[C@@H](C)O)C1 ZINC001393357979 900847016 /nfs/dbraw/zinc/84/70/16/900847016.db2.gz JKKRMRMYNIBHGH-OLZOCXBDSA-N 2 2 299.415 -0.596 20 0 CBADLP CC[N@H+]1CCCC[C@H]1C(=O)NCC1(O)C[NH+](C[C@@H](C)O)C1 ZINC001393357979 900847022 /nfs/dbraw/zinc/84/70/22/900847022.db2.gz JKKRMRMYNIBHGH-OLZOCXBDSA-N 2 2 299.415 -0.596 20 0 CBADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1(O)C[NH+](C[C@H](C)O)C1 ZINC001393357986 900847231 /nfs/dbraw/zinc/84/72/31/900847231.db2.gz JKKRMRMYNIBHGH-QWHCGFSZSA-N 2 2 299.415 -0.596 20 0 CBADLP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1(O)C[NH+](C[C@H](C)O)C1 ZINC001393357986 900847236 /nfs/dbraw/zinc/84/72/36/900847236.db2.gz JKKRMRMYNIBHGH-QWHCGFSZSA-N 2 2 299.415 -0.596 20 0 CBADLP C[C@@H]([NH2+]CC(N)=O)[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001393383448 900848507 /nfs/dbraw/zinc/84/85/07/900848507.db2.gz IUOGVSIYAMSSGO-MNOVXSKESA-N 2 2 293.371 -0.726 20 0 CBADLP C[C@H](NC(=O)CCC[NH+](C)C)[C@H](C)[NH2+]Cc1nnn(C)n1 ZINC001393966551 900943359 /nfs/dbraw/zinc/94/33/59/900943359.db2.gz QFKVRGDNVIEJHG-QWRGUYRKSA-N 2 2 297.407 -0.465 20 0 CBADLP CCCNC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001393976464 900944865 /nfs/dbraw/zinc/94/48/65/900944865.db2.gz BISQRCSZBCJCPE-GHMZBOCLSA-N 2 2 295.387 -0.039 20 0 CBADLP C[C@H]([NH2+]CC(C)(C)CN(C)C(=O)Cc1[nH]cc[nH+]1)C(N)=O ZINC001394033068 900951948 /nfs/dbraw/zinc/95/19/48/900951948.db2.gz VISDSZWADQTPHU-JTQLQIEISA-N 2 2 295.387 -0.100 20 0 CBADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[N@H+](C)CCn1cncn1 ZINC001394144652 900990533 /nfs/dbraw/zinc/99/05/33/900990533.db2.gz QWLNKXWUTDDYAD-LBPRGKRZSA-N 2 2 291.359 -0.389 20 0 CBADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[N@@H+](C)CCn1cncn1 ZINC001394144652 900990543 /nfs/dbraw/zinc/99/05/43/900990543.db2.gz QWLNKXWUTDDYAD-LBPRGKRZSA-N 2 2 291.359 -0.389 20 0 CBADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[C@H](C[NH2+]CC(N)=O)C1 ZINC001394380876 901024835 /nfs/dbraw/zinc/02/48/35/901024835.db2.gz DOWFQQRDAPATGT-DCAQKATOSA-N 2 2 293.371 -0.442 20 0 CBADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1C[C@H](C[NH2+]CC(N)=O)C1 ZINC001394380876 901024844 /nfs/dbraw/zinc/02/48/44/901024844.db2.gz DOWFQQRDAPATGT-DCAQKATOSA-N 2 2 293.371 -0.442 20 0 CBADLP C[C@H](CN(C)C(=O)Cc1[nH]cc[nH+]1)[NH2+]CC(=O)N1CCC1 ZINC001394541955 901047841 /nfs/dbraw/zinc/04/78/41/901047841.db2.gz KEQDIWWSUMYRAU-LLVKDONJSA-N 2 2 293.371 -0.379 20 0 CBADLP CNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001394554163 901049512 /nfs/dbraw/zinc/04/95/12/901049512.db2.gz ZHLVEHIJXQQKSX-GHMZBOCLSA-N 2 2 295.387 -0.229 20 0 CBADLP CNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001394554163 901049522 /nfs/dbraw/zinc/04/95/22/901049522.db2.gz ZHLVEHIJXQQKSX-GHMZBOCLSA-N 2 2 295.387 -0.229 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@H](C)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001394566940 901058934 /nfs/dbraw/zinc/05/89/34/901058934.db2.gz NTONSWZNIDOVEA-MNOVXSKESA-N 2 2 281.360 -0.546 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H](CO)[NH2+]C/C=C\Cl ZINC001394646650 901102681 /nfs/dbraw/zinc/10/26/81/901102681.db2.gz QLYSIDBMNOMBOJ-JKERVTFKSA-N 2 2 272.736 -0.229 20 0 CBADLP Cc1nc(C[NH2+][C@H](CO)CNC(=O)C[NH+]2CCCC2)co1 ZINC001394650748 901105525 /nfs/dbraw/zinc/10/55/25/901105525.db2.gz GRUDETOANYNCOD-LBPRGKRZSA-N 2 2 296.371 -0.354 20 0 CBADLP CNC(=O)C[NH2+]C1CC(N(C)C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001394854361 901164840 /nfs/dbraw/zinc/16/48/40/901164840.db2.gz PGYCOABJMSFLQO-UHFFFAOYSA-N 2 2 293.371 -0.333 20 0 CBADLP CNC(=O)C[NH2+]C1CC(N(C)C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001394854361 901164850 /nfs/dbraw/zinc/16/48/50/901164850.db2.gz PGYCOABJMSFLQO-UHFFFAOYSA-N 2 2 293.371 -0.333 20 0 CBADLP COC[C@H](O)C[NH2+]C1CC(N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001394858162 901165413 /nfs/dbraw/zinc/16/54/13/901165413.db2.gz ULONJURCBXFLAJ-WXRRBKDZSA-N 2 2 296.371 -0.531 20 0 CBADLP CN(C)C(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+](C)C ZINC001396991052 901352449 /nfs/dbraw/zinc/35/24/49/901352449.db2.gz GUUCANJWDVVTRE-GFCCVEGCSA-N 2 2 284.404 -0.441 20 0 CBADLP CN(C)C(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+](C)C ZINC001396991052 901352460 /nfs/dbraw/zinc/35/24/60/901352460.db2.gz GUUCANJWDVVTRE-GFCCVEGCSA-N 2 2 284.404 -0.441 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)C[NH+](C)C(C)C ZINC001397046107 901358634 /nfs/dbraw/zinc/35/86/34/901358634.db2.gz RMNQEFQXUAGVKR-STQMWFEESA-N 2 2 298.431 -0.006 20 0 CBADLP CNC(=O)[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)C[NH+](C)C(C)C ZINC001397046107 901358646 /nfs/dbraw/zinc/35/86/46/901358646.db2.gz RMNQEFQXUAGVKR-STQMWFEESA-N 2 2 298.431 -0.006 20 0 CBADLP CNC(=O)[C@H](C)[NH+]1CC[C@H]1CN(C)C(=O)C[N@H+](C)C(C)C ZINC001397046107 901358655 /nfs/dbraw/zinc/35/86/55/901358655.db2.gz RMNQEFQXUAGVKR-STQMWFEESA-N 2 2 298.431 -0.006 20 0 CBADLP CNC(=O)[C@H](C)[NH+]1CC[C@H]1CN(C)C(=O)C[N@@H+](C)C(C)C ZINC001397046107 901358664 /nfs/dbraw/zinc/35/86/64/901358664.db2.gz RMNQEFQXUAGVKR-STQMWFEESA-N 2 2 298.431 -0.006 20 0 CBADLP CC[C@H](C(=O)N[C@H]1CC[N@H+](CC(N)=O)[C@@H]1C)[NH+](C)C ZINC001397262877 901382605 /nfs/dbraw/zinc/38/26/05/901382605.db2.gz IZGDLGFNXHNBDX-OUAUKWLOSA-N 2 2 270.377 -0.609 20 0 CBADLP CC[C@H](C(=O)N[C@H]1CC[N@@H+](CC(N)=O)[C@@H]1C)[NH+](C)C ZINC001397262877 901382615 /nfs/dbraw/zinc/38/26/15/901382615.db2.gz IZGDLGFNXHNBDX-OUAUKWLOSA-N 2 2 270.377 -0.609 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001397481189 901418651 /nfs/dbraw/zinc/41/86/51/901418651.db2.gz CXYQPAMAIBMCEZ-GFCCVEGCSA-N 2 2 295.387 -0.156 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001397481189 901418659 /nfs/dbraw/zinc/41/86/59/901418659.db2.gz CXYQPAMAIBMCEZ-GFCCVEGCSA-N 2 2 295.387 -0.156 20 0 CBADLP CCC[N@H+](C)CC(=O)N[C@H]1CCC[NH+](CC(=O)N(C)C)C1 ZINC001398251740 901511621 /nfs/dbraw/zinc/51/16/21/901511621.db2.gz MZZVQDXKWAKVNR-ZDUSSCGKSA-N 2 2 298.431 -0.003 20 0 CBADLP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[NH+](CC(=O)N(C)C)C1 ZINC001398251740 901511629 /nfs/dbraw/zinc/51/16/29/901511629.db2.gz MZZVQDXKWAKVNR-ZDUSSCGKSA-N 2 2 298.431 -0.003 20 0 CBADLP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@H+](CC(=O)N(C)C)C1 ZINC001398251740 901511639 /nfs/dbraw/zinc/51/16/39/901511639.db2.gz MZZVQDXKWAKVNR-ZDUSSCGKSA-N 2 2 298.431 -0.003 20 0 CBADLP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@@H+](CC(=O)N(C)C)C1 ZINC001398251740 901511646 /nfs/dbraw/zinc/51/16/46/901511646.db2.gz MZZVQDXKWAKVNR-ZDUSSCGKSA-N 2 2 298.431 -0.003 20 0 CBADLP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1CCC[NH+](CC(N)=O)C1 ZINC001398239723 901514429 /nfs/dbraw/zinc/51/44/29/901514429.db2.gz WKNZZDAFSGVQFS-OLZOCXBDSA-N 2 2 296.415 -0.073 20 0 CBADLP C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H]1CCC[NH+](CC(N)=O)C1 ZINC001398239723 901514442 /nfs/dbraw/zinc/51/44/42/901514442.db2.gz WKNZZDAFSGVQFS-OLZOCXBDSA-N 2 2 296.415 -0.073 20 0 CBADLP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001398239723 901514457 /nfs/dbraw/zinc/51/44/57/901514457.db2.gz WKNZZDAFSGVQFS-OLZOCXBDSA-N 2 2 296.415 -0.073 20 0 CBADLP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001398239723 901514470 /nfs/dbraw/zinc/51/44/70/901514470.db2.gz WKNZZDAFSGVQFS-OLZOCXBDSA-N 2 2 296.415 -0.073 20 0 CBADLP CC[C@H](C(=O)NC1CN(C(=O)Cn2cc[nH+]c2)C1)[NH+](C)C ZINC001398651340 901580810 /nfs/dbraw/zinc/58/08/10/901580810.db2.gz JUJXHMITAGWAPX-GFCCVEGCSA-N 2 2 293.371 -0.450 20 0 CBADLP C[NH+](C)CCC(=O)NC1CN(C(=O)CCn2cc[nH+]c2)C1 ZINC001398687204 901591737 /nfs/dbraw/zinc/59/17/37/901591737.db2.gz YCNMOOSELVIECK-UHFFFAOYSA-N 2 2 293.371 -0.448 20 0 CBADLP C[C@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+]CC(=O)NC1CC1 ZINC001398938365 901638682 /nfs/dbraw/zinc/63/86/82/901638682.db2.gz HNGMPVOFHCSXTB-SNVBAGLBSA-N 2 2 293.371 -0.285 20 0 CBADLP CC[C@H](CNC(=O)Cc1[nH]cc[nH+]1)NC(=O)CC[NH+](C)C ZINC001399074163 901658866 /nfs/dbraw/zinc/65/88/66/901658866.db2.gz PFCVVJRXSKPELW-LLVKDONJSA-N 2 2 295.387 -0.085 20 0 CBADLP CC[C@@H]([NH2+][C@@H](C)CNC(=O)Cc1c[nH+]cn1C)C(N)=O ZINC001399096194 901661186 /nfs/dbraw/zinc/66/11/86/901661186.db2.gz BJFOZFKHNVNXFT-GXSJLCMTSA-N 2 2 281.360 -0.679 20 0 CBADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]CC(=O)NC1CC1 ZINC001399107737 901665672 /nfs/dbraw/zinc/66/56/72/901665672.db2.gz JYQQXKVMLOGRDI-SNVBAGLBSA-N 2 2 293.371 -0.665 20 0 CBADLP CCNC(=O)C[NH2+][C@@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC001399126406 901674203 /nfs/dbraw/zinc/67/42/03/901674203.db2.gz MZOVOFFBVBSESO-NSHDSACASA-N 2 2 295.387 -0.417 20 0 CBADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1cncn1C ZINC001399155959 901676121 /nfs/dbraw/zinc/67/61/21/901676121.db2.gz HQVPRWBARPRZSF-NSHDSACASA-N 2 2 276.344 -0.089 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](C)[NH2+]Cc2ccon2)C1 ZINC001399166760 901678479 /nfs/dbraw/zinc/67/84/79/901678479.db2.gz WGFRTRNVGLDUAK-YPMHNXCESA-N 2 2 296.371 -0.010 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](C)[NH2+]Cc2ccon2)C1 ZINC001399166760 901678486 /nfs/dbraw/zinc/67/84/86/901678486.db2.gz WGFRTRNVGLDUAK-YPMHNXCESA-N 2 2 296.371 -0.010 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCC[C@H](C)[NH2+][C@@H]1CCNC1=O ZINC001399418133 901710739 /nfs/dbraw/zinc/71/07/39/901710739.db2.gz MPPKRBOPSULDHN-GXSJLCMTSA-N 2 2 293.371 -0.366 20 0 CBADLP C[C@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1cn(C)nn1 ZINC001399424563 901710826 /nfs/dbraw/zinc/71/08/26/901710826.db2.gz BRUVDBUIKYDCCC-LLVKDONJSA-N 2 2 291.359 -0.304 20 0 CBADLP CCCNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001399486118 901735605 /nfs/dbraw/zinc/73/56/05/901735605.db2.gz OPJCJRNIJVKCGF-CHWSQXEVSA-N 2 2 298.431 -0.099 20 0 CBADLP CCCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001399486118 901735618 /nfs/dbraw/zinc/73/56/18/901735618.db2.gz OPJCJRNIJVKCGF-CHWSQXEVSA-N 2 2 298.431 -0.099 20 0 CBADLP CCCNC(=O)C[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001399486118 901735630 /nfs/dbraw/zinc/73/56/30/901735630.db2.gz OPJCJRNIJVKCGF-CHWSQXEVSA-N 2 2 298.431 -0.099 20 0 CBADLP CCCNC(=O)C[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001399486118 901735640 /nfs/dbraw/zinc/73/56/40/901735640.db2.gz OPJCJRNIJVKCGF-CHWSQXEVSA-N 2 2 298.431 -0.099 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NCC[NH+](C)CC(=O)N(C)C1CC1 ZINC001399653902 901765856 /nfs/dbraw/zinc/76/58/56/901765856.db2.gz JWSADGBHQUCQGV-UHFFFAOYSA-N 2 2 298.431 -0.005 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NCC[NH+](C)CC(=O)N(C)C1CC1 ZINC001399653902 901765864 /nfs/dbraw/zinc/76/58/64/901765864.db2.gz JWSADGBHQUCQGV-UHFFFAOYSA-N 2 2 298.431 -0.005 20 0 CBADLP CC(C)[NH+](C)CC(=O)NCC[N@H+](C)CC(=O)N(C)C1CC1 ZINC001399653902 901765877 /nfs/dbraw/zinc/76/58/77/901765877.db2.gz JWSADGBHQUCQGV-UHFFFAOYSA-N 2 2 298.431 -0.005 20 0 CBADLP CC(C)[NH+](C)CC(=O)NCC[N@@H+](C)CC(=O)N(C)C1CC1 ZINC001399653902 901765888 /nfs/dbraw/zinc/76/58/88/901765888.db2.gz JWSADGBHQUCQGV-UHFFFAOYSA-N 2 2 298.431 -0.005 20 0 CBADLP C[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1)C(N)=O ZINC001400052237 901863323 /nfs/dbraw/zinc/86/33/23/901863323.db2.gz MXJDGFBWCZLNQO-GHMZBOCLSA-N 2 2 293.371 -0.633 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001400307771 901910792 /nfs/dbraw/zinc/91/07/92/901910792.db2.gz LUCIAHXASZAWAV-CMPLNLGQSA-N 2 2 293.371 -0.333 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001400307771 901910803 /nfs/dbraw/zinc/91/08/03/901910803.db2.gz LUCIAHXASZAWAV-CMPLNLGQSA-N 2 2 293.371 -0.333 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CC(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001400497175 901957741 /nfs/dbraw/zinc/95/77/41/901957741.db2.gz BLTROSHYEMRXJV-YPMHNXCESA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CC(CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001400497175 901957752 /nfs/dbraw/zinc/95/77/52/901957752.db2.gz BLTROSHYEMRXJV-YPMHNXCESA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@H](O)C[NH+]1CC(CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001400522129 901961879 /nfs/dbraw/zinc/96/18/79/901961879.db2.gz FZMBOZOQIPCRFG-NSHDSACASA-N 2 2 280.372 -0.219 20 0 CBADLP C[C@@H]1CC[N@H+](CC(=O)NCC2C[NH+]([C@@H]3CCNC3=O)C2)C1 ZINC001400523236 901962059 /nfs/dbraw/zinc/96/20/59/901962059.db2.gz BKMLGRKJQVLCDR-DGCLKSJQSA-N 2 2 294.399 -0.735 20 0 CBADLP C[C@@H]1CC[N@@H+](CC(=O)NCC2C[NH+]([C@@H]3CCNC3=O)C2)C1 ZINC001400523236 901962068 /nfs/dbraw/zinc/96/20/68/901962068.db2.gz BKMLGRKJQVLCDR-DGCLKSJQSA-N 2 2 294.399 -0.735 20 0 CBADLP CNC(=O)C[NH+]1CC(CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001400533967 901963355 /nfs/dbraw/zinc/96/33/55/901963355.db2.gz WCOUUOJRTVHTOO-NSHDSACASA-N 2 2 282.388 -0.878 20 0 CBADLP CNC(=O)C[NH+]1CC(CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001400533967 901963359 /nfs/dbraw/zinc/96/33/59/901963359.db2.gz WCOUUOJRTVHTOO-NSHDSACASA-N 2 2 282.388 -0.878 20 0 CBADLP COC[C@@H](O)C[NH+]1CC(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001400542820 901969554 /nfs/dbraw/zinc/96/95/54/901969554.db2.gz APTSIWKCNAOTIF-ZDUSSCGKSA-N 2 2 296.371 -0.982 20 0 CBADLP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CC(=O)NC)C1)[NH+](C)C ZINC001400629569 901983636 /nfs/dbraw/zinc/98/36/36/901983636.db2.gz OHTKIGUGTSKPLO-QWRGUYRKSA-N 2 2 270.377 -0.737 20 0 CBADLP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](CC(=O)NC)C1)[NH+](C)C ZINC001400629569 901983643 /nfs/dbraw/zinc/98/36/43/901983643.db2.gz OHTKIGUGTSKPLO-QWRGUYRKSA-N 2 2 270.377 -0.737 20 0 CBADLP CCN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@H+](CC(=O)NC)C1 ZINC001400767391 902007986 /nfs/dbraw/zinc/00/79/86/902007986.db2.gz ZCDFUZJPRZRKND-CYBMUJFWSA-N 2 2 296.415 -0.249 20 0 CBADLP CCN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001400767391 902007999 /nfs/dbraw/zinc/00/79/99/902007999.db2.gz ZCDFUZJPRZRKND-CYBMUJFWSA-N 2 2 296.415 -0.249 20 0 CBADLP CC[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@@H](C)C(=O)N(C)C ZINC001400844407 902026424 /nfs/dbraw/zinc/02/64/24/902026424.db2.gz BYKPCDRTWVZDQL-QWRGUYRKSA-N 2 2 295.387 -0.087 20 0 CBADLP CNC(=O)C[NH2+]C[C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001401149203 902065114 /nfs/dbraw/zinc/06/51/14/902065114.db2.gz WVKAIBJGJRRPNR-NWDGAFQWSA-N 2 2 295.387 -0.078 20 0 CBADLP C[C@@H](C[NH2+]CC(=O)N(C)C)N(C)C(=O)CCn1cc[nH+]c1 ZINC001401233629 902086876 /nfs/dbraw/zinc/08/68/76/902086876.db2.gz OKPIDQCHOFTDRH-LBPRGKRZSA-N 2 2 295.387 -0.202 20 0 CBADLP CC[C@@H]([NH2+]C[C@H](C)N(C)C(=O)Cc1[nH]cc[nH+]1)C(N)=O ZINC001401261216 902094459 /nfs/dbraw/zinc/09/44/59/902094459.db2.gz YWLNBWXXWKMSFA-VHSXEESVSA-N 2 2 281.360 -0.347 20 0 CBADLP C[C@@H](C[NH2+]CC(N)=O)N(C)C(=O)CCc1c[nH+]cn1C ZINC001401262706 902095677 /nfs/dbraw/zinc/09/56/77/902095677.db2.gz WKVQSSKZUOHFAH-JTQLQIEISA-N 2 2 281.360 -0.726 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+](C)CCN(C)C(=O)Cn1cc[nH+]c1C ZINC001401433131 902122298 /nfs/dbraw/zinc/12/22/98/902122298.db2.gz CWVAZEBXFFBPOI-LLVKDONJSA-N 2 2 295.387 -0.284 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+](C)CCN(C)C(=O)Cn1cc[nH+]c1C ZINC001401433131 902122303 /nfs/dbraw/zinc/12/23/03/902122303.db2.gz CWVAZEBXFFBPOI-LLVKDONJSA-N 2 2 295.387 -0.284 20 0 CBADLP Cc1nnc([C@H](C)[NH2+]C[C@@H](O)CNC(=O)CC[NH+](C)C)o1 ZINC001401558171 902165831 /nfs/dbraw/zinc/16/58/31/902165831.db2.gz PUAUWGDIFNQJRC-GXSJLCMTSA-N 2 2 299.375 -0.543 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]CC[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001401593568 902181755 /nfs/dbraw/zinc/18/17/55/902181755.db2.gz AKZCBUSOTYKRLU-GXSJLCMTSA-N 2 2 295.387 -0.120 20 0 CBADLP CCN(CC[NH2+][C@H](C)C(=O)N(C)C)C(=O)Cc1c[nH+]c[nH]1 ZINC001401607932 902184043 /nfs/dbraw/zinc/18/40/43/902184043.db2.gz ZSUQPZQPCFLWCH-LLVKDONJSA-N 2 2 295.387 -0.133 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]CC[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001401609893 902189310 /nfs/dbraw/zinc/18/93/10/902189310.db2.gz ORRROOIEGVHRPU-ZJUUUORDSA-N 2 2 281.360 -0.429 20 0 CBADLP CCN1CC[C@@H]([NH2+]C[C@@H](C)NC(=O)Cc2c[nH]c[nH+]2)C1=O ZINC001401644150 902203013 /nfs/dbraw/zinc/20/30/13/902203013.db2.gz JPNALLULRNTYJE-ZYHUDNBSSA-N 2 2 293.371 -0.333 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001401636208 902206046 /nfs/dbraw/zinc/20/60/46/902206046.db2.gz BLYNJKWLFSYFTL-SNVBAGLBSA-N 2 2 289.339 -0.212 20 0 CBADLP C[C@H](C[NH2+][C@@H](C)C(=O)N(C)C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001401656004 902210684 /nfs/dbraw/zinc/21/06/84/902210684.db2.gz QVZUTQXLDJNYRM-ZJUUUORDSA-N 2 2 281.360 -0.477 20 0 CBADLP COC[C@@H](O)C[NH2+]C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001401704176 902240046 /nfs/dbraw/zinc/24/00/46/902240046.db2.gz AZHYFFBIPOTVPM-ONGXEEELSA-N 2 2 270.333 -0.946 20 0 CBADLP C[C@@H](C[NH2+][C@H]1CCN(C)C1=O)NC(=O)Cc1[nH]cc[nH+]1 ZINC001401714543 902242962 /nfs/dbraw/zinc/24/29/62/902242962.db2.gz ZLSUGQHMGMLZGS-UWVGGRQHSA-N 2 2 279.344 -0.723 20 0 CBADLP COC[C@H](O)C[NH2+]C[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001401720672 902246287 /nfs/dbraw/zinc/24/62/87/902246287.db2.gz ZWTSCCYMUKISMS-CMPLNLGQSA-N 2 2 284.360 -0.936 20 0 CBADLP CCC[N@H+](C)CCC(=O)NC[C@@H]1CC[NH+]1[C@H](C)C(N)=O ZINC001401944584 902321882 /nfs/dbraw/zinc/32/18/82/902321882.db2.gz ZYEXNKYDICUYMM-NEPJUHHUSA-N 2 2 284.404 -0.217 20 0 CBADLP CCC[N@@H+](C)CCC(=O)NC[C@@H]1CC[NH+]1[C@H](C)C(N)=O ZINC001401944584 902321894 /nfs/dbraw/zinc/32/18/94/902321894.db2.gz ZYEXNKYDICUYMM-NEPJUHHUSA-N 2 2 284.404 -0.217 20 0 CBADLP CCC[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+]1[C@H](C)C(N)=O ZINC001401944584 902321906 /nfs/dbraw/zinc/32/19/06/902321906.db2.gz ZYEXNKYDICUYMM-NEPJUHHUSA-N 2 2 284.404 -0.217 20 0 CBADLP CCC[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+]1[C@H](C)C(N)=O ZINC001401944584 902321915 /nfs/dbraw/zinc/32/19/15/902321915.db2.gz ZYEXNKYDICUYMM-NEPJUHHUSA-N 2 2 284.404 -0.217 20 0 CBADLP CCC[N@H+](C)CCC(=O)NC[C@H]1CC[NH+]1[C@@H](C)C(N)=O ZINC001401944586 902323809 /nfs/dbraw/zinc/32/38/09/902323809.db2.gz ZYEXNKYDICUYMM-NWDGAFQWSA-N 2 2 284.404 -0.217 20 0 CBADLP CCC[N@@H+](C)CCC(=O)NC[C@H]1CC[NH+]1[C@@H](C)C(N)=O ZINC001401944586 902323820 /nfs/dbraw/zinc/32/38/20/902323820.db2.gz ZYEXNKYDICUYMM-NWDGAFQWSA-N 2 2 284.404 -0.217 20 0 CBADLP CCC[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+]1[C@@H](C)C(N)=O ZINC001401944586 902323827 /nfs/dbraw/zinc/32/38/27/902323827.db2.gz ZYEXNKYDICUYMM-NWDGAFQWSA-N 2 2 284.404 -0.217 20 0 CBADLP CCC[NH+](C)CCC(=O)NC[C@H]1CC[N@H+]1[C@@H](C)C(N)=O ZINC001401944586 902323839 /nfs/dbraw/zinc/32/38/39/902323839.db2.gz ZYEXNKYDICUYMM-NWDGAFQWSA-N 2 2 284.404 -0.217 20 0 CBADLP CCC[N@H+](C)CCC(=O)NC[C@H]1CC[NH+]1[C@H](C)C(N)=O ZINC001401944591 902324072 /nfs/dbraw/zinc/32/40/72/902324072.db2.gz ZYEXNKYDICUYMM-VXGBXAGGSA-N 2 2 284.404 -0.217 20 0 CBADLP CCC[N@@H+](C)CCC(=O)NC[C@H]1CC[NH+]1[C@H](C)C(N)=O ZINC001401944591 902324087 /nfs/dbraw/zinc/32/40/87/902324087.db2.gz ZYEXNKYDICUYMM-VXGBXAGGSA-N 2 2 284.404 -0.217 20 0 CBADLP CCC[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+]1[C@H](C)C(N)=O ZINC001401944591 902324100 /nfs/dbraw/zinc/32/41/00/902324100.db2.gz ZYEXNKYDICUYMM-VXGBXAGGSA-N 2 2 284.404 -0.217 20 0 CBADLP CCC[NH+](C)CCC(=O)NC[C@H]1CC[N@H+]1[C@H](C)C(N)=O ZINC001401944591 902324115 /nfs/dbraw/zinc/32/41/15/902324115.db2.gz ZYEXNKYDICUYMM-VXGBXAGGSA-N 2 2 284.404 -0.217 20 0 CBADLP CC[C@H]([NH2+]C1(CNC(=O)Cn2cc[nH+]c2)CC1)C(N)=O ZINC001401982016 902332682 /nfs/dbraw/zinc/33/26/82/902332682.db2.gz CWZVWEXCYVXILU-JTQLQIEISA-N 2 2 279.344 -0.615 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001402140672 902369462 /nfs/dbraw/zinc/36/94/62/902369462.db2.gz VGMOLVIOCBGJLV-SWLSCSKDSA-N 2 2 296.415 -0.345 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001402140672 902369471 /nfs/dbraw/zinc/36/94/71/902369471.db2.gz VGMOLVIOCBGJLV-SWLSCSKDSA-N 2 2 296.415 -0.345 20 0 CBADLP CNC(=O)C[NH+]1CC[C@@](C)(NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001402140672 902369476 /nfs/dbraw/zinc/36/94/76/902369476.db2.gz VGMOLVIOCBGJLV-SWLSCSKDSA-N 2 2 296.415 -0.345 20 0 CBADLP CNC(=O)C[NH+]1CC[C@@](C)(NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001402140672 902369482 /nfs/dbraw/zinc/36/94/82/902369482.db2.gz VGMOLVIOCBGJLV-SWLSCSKDSA-N 2 2 296.415 -0.345 20 0 CBADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001458079510 914622820 /nfs/dbraw/zinc/62/28/20/914622820.db2.gz OZAUHQYSHOLCIA-MNOVXSKESA-N 2 2 293.371 -0.333 20 0 CBADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001458079510 914622829 /nfs/dbraw/zinc/62/28/29/914622829.db2.gz OZAUHQYSHOLCIA-MNOVXSKESA-N 2 2 293.371 -0.333 20 0 CBADLP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)CCCn2cc[nH+]c2)C1)C(N)=O ZINC001402551820 902474699 /nfs/dbraw/zinc/47/46/99/902474699.db2.gz QJVFSZHSPOJKSN-SRVKXCTJSA-N 2 2 293.371 -0.226 20 0 CBADLP C[C@H]([NH2+]C[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1)C(N)=O ZINC001402699671 902504975 /nfs/dbraw/zinc/50/49/75/902504975.db2.gz WTGGFEAWMNMLAC-WDEREUQCSA-N 2 2 293.371 -0.346 20 0 CBADLP C[NH+](C)CC1(C(=O)NC[C@@H]2CCCC[N@@H+]2CC(N)=O)CC1 ZINC001402738676 902511433 /nfs/dbraw/zinc/51/14/33/902511433.db2.gz BVGSCDTWWVNTIJ-LBPRGKRZSA-N 2 2 296.415 -0.216 20 0 CBADLP C[NH+](C)CC1(C(=O)NC[C@@H]2CCCC[N@H+]2CC(N)=O)CC1 ZINC001402738676 902511438 /nfs/dbraw/zinc/51/14/38/902511438.db2.gz BVGSCDTWWVNTIJ-LBPRGKRZSA-N 2 2 296.415 -0.216 20 0 CBADLP CCC[N@H+](C)CC(=O)NC[C@@H]1CCCC[NH+]1CC(N)=O ZINC001402736635 902512558 /nfs/dbraw/zinc/51/25/58/902512558.db2.gz NWYODANXTYPLIU-LBPRGKRZSA-N 2 2 284.404 -0.216 20 0 CBADLP CCC[N@@H+](C)CC(=O)NC[C@@H]1CCCC[NH+]1CC(N)=O ZINC001402736635 902512566 /nfs/dbraw/zinc/51/25/66/902512566.db2.gz NWYODANXTYPLIU-LBPRGKRZSA-N 2 2 284.404 -0.216 20 0 CBADLP CCC[NH+](C)CC(=O)NC[C@@H]1CCCC[N@@H+]1CC(N)=O ZINC001402736635 902512574 /nfs/dbraw/zinc/51/25/74/902512574.db2.gz NWYODANXTYPLIU-LBPRGKRZSA-N 2 2 284.404 -0.216 20 0 CBADLP CCC[NH+](C)CC(=O)NC[C@@H]1CCCC[N@H+]1CC(N)=O ZINC001402736635 902512582 /nfs/dbraw/zinc/51/25/82/902512582.db2.gz NWYODANXTYPLIU-LBPRGKRZSA-N 2 2 284.404 -0.216 20 0 CBADLP C[C@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)CC[N@@H+]1CC(N)=O ZINC001402831319 902528691 /nfs/dbraw/zinc/52/86/91/902528691.db2.gz YWWVLAUHYFCICX-NWDGAFQWSA-N 2 2 293.371 -0.272 20 0 CBADLP C[C@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)CC[N@H+]1CC(N)=O ZINC001402831319 902528696 /nfs/dbraw/zinc/52/86/96/902528696.db2.gz YWWVLAUHYFCICX-NWDGAFQWSA-N 2 2 293.371 -0.272 20 0 CBADLP Cc1ncoc1C[NH2+][C@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001402865700 902543261 /nfs/dbraw/zinc/54/32/61/902543261.db2.gz LHEPCRQLSXFFCY-MFKMUULPSA-N 2 2 296.371 -0.092 20 0 CBADLP Cc1ncoc1C[NH2+][C@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001402865700 902543274 /nfs/dbraw/zinc/54/32/74/902543274.db2.gz LHEPCRQLSXFFCY-MFKMUULPSA-N 2 2 296.371 -0.092 20 0 CBADLP C[C@H](CNC(=O)CCc1[nH+]ccn1C)[NH2+][C@H]1CCNC1=O ZINC001402962824 902575654 /nfs/dbraw/zinc/57/56/54/902575654.db2.gz VOOIPBRANPZQQB-MNOVXSKESA-N 2 2 293.371 -0.665 20 0 CBADLP C[C@@H](CNC(=O)CCn1cc[nH+]c1)[NH2+][C@@H]1CCNC1=O ZINC001402989419 902582068 /nfs/dbraw/zinc/58/20/68/902582068.db2.gz VPXXLHNRFSRACR-WDEREUQCSA-N 2 2 279.344 -0.744 20 0 CBADLP C[C@H](CNC(=O)CCn1cc[nH+]c1)[NH2+][C@H]1CCNC1=O ZINC001402989400 902584367 /nfs/dbraw/zinc/58/43/67/902584367.db2.gz VPXXLHNRFSRACR-MNOVXSKESA-N 2 2 279.344 -0.744 20 0 CBADLP Cc1nnc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CCC[N@@H+]2C)[nH]1 ZINC001403019680 902594521 /nfs/dbraw/zinc/59/45/21/902594521.db2.gz XYMZZIDDDLHWRR-GXSJLCMTSA-N 2 2 280.376 -0.198 20 0 CBADLP Cc1nnc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CCC[N@H+]2C)[nH]1 ZINC001403019680 902594532 /nfs/dbraw/zinc/59/45/32/902594532.db2.gz XYMZZIDDDLHWRR-GXSJLCMTSA-N 2 2 280.376 -0.198 20 0 CBADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@H](C)C(=O)N(C)C ZINC001403051568 902602987 /nfs/dbraw/zinc/60/29/87/902602987.db2.gz GORGATVHESDFRK-NXEZZACHSA-N 2 2 281.360 -0.477 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](C[NH2+]CC(N)=O)C1 ZINC001403240012 902659484 /nfs/dbraw/zinc/65/94/84/902659484.db2.gz JKZZRNBRIMOOTE-SNVBAGLBSA-N 2 2 279.344 -0.816 20 0 CBADLP C[C@@H]([NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1)C(N)=O ZINC001403279801 902661295 /nfs/dbraw/zinc/66/12/95/902661295.db2.gz ZDPSTHBIEGTRQH-GHMZBOCLSA-N 2 2 279.344 -0.805 20 0 CBADLP C[C@@H]([NH2+]C[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1)C(N)=O ZINC001403278487 902662891 /nfs/dbraw/zinc/66/28/91/902662891.db2.gz SIJGTCDRFHRKDY-GHMZBOCLSA-N 2 2 293.371 -0.726 20 0 CBADLP C[C@@H](NC(=O)C[N@H+](C)C1CCC1)C1C[NH+](CC(N)=O)C1 ZINC001403309227 902666213 /nfs/dbraw/zinc/66/62/13/902666213.db2.gz WVZJKLNRLALZCI-SNVBAGLBSA-N 2 2 282.388 -0.608 20 0 CBADLP C[C@@H](NC(=O)C[N@@H+](C)C1CCC1)C1C[NH+](CC(N)=O)C1 ZINC001403309227 902666220 /nfs/dbraw/zinc/66/62/20/902666220.db2.gz WVZJKLNRLALZCI-SNVBAGLBSA-N 2 2 282.388 -0.608 20 0 CBADLP COC[C@H](O)C[NH+]1CC([C@@H](C)NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001403332593 902667598 /nfs/dbraw/zinc/66/75/98/902667598.db2.gz SYFJNRWUQFNDDC-ZWNOBZJWSA-N 2 2 296.371 -0.604 20 0 CBADLP CNC(=O)C[NH+]1CC([C@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001403332731 902672326 /nfs/dbraw/zinc/67/23/26/902672326.db2.gz UAPHLVDTXNJFFC-NEPJUHHUSA-N 2 2 296.415 -0.489 20 0 CBADLP CNC(=O)C[NH+]1CC([C@H](C)NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001403332731 902672331 /nfs/dbraw/zinc/67/23/31/902672331.db2.gz UAPHLVDTXNJFFC-NEPJUHHUSA-N 2 2 296.415 -0.489 20 0 CBADLP CCN(C)C(=O)C[NH2+][C@@H](C)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001403606043 902748090 /nfs/dbraw/zinc/74/80/90/902748090.db2.gz DPGHRLIEXKMUBM-NSHDSACASA-N 2 2 295.387 -0.133 20 0 CBADLP CCN(C)C(=O)C[NH2+][C@H](C)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001403606039 902748394 /nfs/dbraw/zinc/74/83/94/902748394.db2.gz DPGHRLIEXKMUBM-LLVKDONJSA-N 2 2 295.387 -0.133 20 0 CBADLP O=C(NC[C@@H](CO)[NH2+]CCF)[C@@H]1CCn2c[nH+]cc2C1 ZINC001403657806 902782201 /nfs/dbraw/zinc/78/22/01/902782201.db2.gz CHKWUXWBWSVFIU-MNOVXSKESA-N 2 2 284.335 -0.518 20 0 CBADLP Cc1nc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CCC[N@H+]2C)co1 ZINC001403662393 902785213 /nfs/dbraw/zinc/78/52/13/902785213.db2.gz ZKKOTUZYERJTCU-DGCLKSJQSA-N 2 2 296.371 -0.356 20 0 CBADLP Cc1nc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CCC[N@@H+]2C)co1 ZINC001403662393 902785225 /nfs/dbraw/zinc/78/52/25/902785225.db2.gz ZKKOTUZYERJTCU-DGCLKSJQSA-N 2 2 296.371 -0.356 20 0 CBADLP Cc1nc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CCC[N@H+]2C)co1 ZINC001403662395 902785956 /nfs/dbraw/zinc/78/59/56/902785956.db2.gz ZKKOTUZYERJTCU-YPMHNXCESA-N 2 2 296.371 -0.356 20 0 CBADLP Cc1nc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CCC[N@@H+]2C)co1 ZINC001403662395 902785966 /nfs/dbraw/zinc/78/59/66/902785966.db2.gz ZKKOTUZYERJTCU-YPMHNXCESA-N 2 2 296.371 -0.356 20 0 CBADLP CCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001403673251 902792109 /nfs/dbraw/zinc/79/21/09/902792109.db2.gz NJVLHBWBLNHJSG-VXGBXAGGSA-N 2 2 280.372 -0.078 20 0 CBADLP C[C@@H]1CC[N@H+](CC(=O)NCC[NH+](C)CC(=O)N(C)C)C1 ZINC001403679595 902795477 /nfs/dbraw/zinc/79/54/77/902795477.db2.gz FAVUYQHYWPGYLU-GFCCVEGCSA-N 2 2 284.404 -0.536 20 0 CBADLP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH+](C)CC(=O)N(C)C)C1 ZINC001403679595 902795485 /nfs/dbraw/zinc/79/54/85/902795485.db2.gz FAVUYQHYWPGYLU-GFCCVEGCSA-N 2 2 284.404 -0.536 20 0 CBADLP C[C@@H]1CC[NH+](CC(=O)NCC[N@H+](C)CC(=O)N(C)C)C1 ZINC001403679595 902795495 /nfs/dbraw/zinc/79/54/95/902795495.db2.gz FAVUYQHYWPGYLU-GFCCVEGCSA-N 2 2 284.404 -0.536 20 0 CBADLP C[C@@H]1CC[NH+](CC(=O)NCC[N@@H+](C)CC(=O)N(C)C)C1 ZINC001403679595 902795506 /nfs/dbraw/zinc/79/55/06/902795506.db2.gz FAVUYQHYWPGYLU-GFCCVEGCSA-N 2 2 284.404 -0.536 20 0 CBADLP CN(C)C(=O)C[N@H+](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001403740298 902831391 /nfs/dbraw/zinc/83/13/91/902831391.db2.gz VJSGGBPTQUOZKK-UHFFFAOYSA-N 2 2 282.388 -0.782 20 0 CBADLP CN(C)C(=O)C[N@@H+](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001403740298 902831403 /nfs/dbraw/zinc/83/14/03/902831403.db2.gz VJSGGBPTQUOZKK-UHFFFAOYSA-N 2 2 282.388 -0.782 20 0 CBADLP Cc1cc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CC[N@@H+](C)C2)no1 ZINC001403749346 902836494 /nfs/dbraw/zinc/83/64/94/902836494.db2.gz QJHLIGKNSONSAG-AAEUAGOBSA-N 2 2 296.371 -0.499 20 0 CBADLP Cc1cc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CC[N@H+](C)C2)no1 ZINC001403749346 902836509 /nfs/dbraw/zinc/83/65/09/902836509.db2.gz QJHLIGKNSONSAG-AAEUAGOBSA-N 2 2 296.371 -0.499 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@@H](CO)[NH2+]CC[C@H]1CCCO1 ZINC001403758769 902836985 /nfs/dbraw/zinc/83/69/85/902836985.db2.gz XFMRKWGQVIBKSW-QWHCGFSZSA-N 2 2 296.371 -0.481 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+](CC)CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001403939185 902910608 /nfs/dbraw/zinc/91/06/08/902910608.db2.gz IGYUZJYCMOLWFY-LBPRGKRZSA-N 2 2 295.387 -0.037 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+](CC)CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001403939185 902910619 /nfs/dbraw/zinc/91/06/19/902910619.db2.gz IGYUZJYCMOLWFY-LBPRGKRZSA-N 2 2 295.387 -0.037 20 0 CBADLP NC(=O)C[N@@H+]1CC[C@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001404104870 902938343 /nfs/dbraw/zinc/93/83/43/902938343.db2.gz QNJVUVMTUARAIN-GFCCVEGCSA-N 2 2 293.371 -0.413 20 0 CBADLP NC(=O)C[N@H+]1CC[C@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001404104870 902938352 /nfs/dbraw/zinc/93/83/52/902938352.db2.gz QNJVUVMTUARAIN-GFCCVEGCSA-N 2 2 293.371 -0.413 20 0 CBADLP CCC[N@H+](CCNC(=O)Cn1cc[nH+]c1C)CC(=O)NC ZINC001404182247 902949269 /nfs/dbraw/zinc/94/92/69/902949269.db2.gz VUWDMTGGOSDQJW-UHFFFAOYSA-N 2 2 295.387 -0.234 20 0 CBADLP CCC[N@@H+](CCNC(=O)Cn1cc[nH+]c1C)CC(=O)NC ZINC001404182247 902949278 /nfs/dbraw/zinc/94/92/78/902949278.db2.gz VUWDMTGGOSDQJW-UHFFFAOYSA-N 2 2 295.387 -0.234 20 0 CBADLP CN(CC[NH2+][C@@H]1CCNC1=O)C(=O)CCc1[nH+]ccn1C ZINC001404314416 902970689 /nfs/dbraw/zinc/97/06/89/902970689.db2.gz JVKPWBPKOFCNJF-LLVKDONJSA-N 2 2 293.371 -0.711 20 0 CBADLP C[C@@H](CNC(=O)CC[NH+](C)C)N(C)C(=O)Cn1cc[nH+]c1 ZINC001404473611 902989224 /nfs/dbraw/zinc/98/92/24/902989224.db2.gz IXILAPOPSCEAQX-LBPRGKRZSA-N 2 2 295.387 -0.202 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001404657726 903013511 /nfs/dbraw/zinc/01/35/11/903013511.db2.gz GNSGUWUFUCKYPB-VXGBXAGGSA-N 2 2 296.415 -0.075 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001404657726 903013522 /nfs/dbraw/zinc/01/35/22/903013522.db2.gz GNSGUWUFUCKYPB-VXGBXAGGSA-N 2 2 296.415 -0.075 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001404657726 903013531 /nfs/dbraw/zinc/01/35/31/903013531.db2.gz GNSGUWUFUCKYPB-VXGBXAGGSA-N 2 2 296.415 -0.075 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001404657726 903013543 /nfs/dbraw/zinc/01/35/43/903013543.db2.gz GNSGUWUFUCKYPB-VXGBXAGGSA-N 2 2 296.415 -0.075 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)NCC1C[NH+](CCCO)C1 ZINC001404892261 903052401 /nfs/dbraw/zinc/05/24/01/903052401.db2.gz OWRBQSDVQJPZOV-UHFFFAOYSA-N 2 2 280.372 -0.217 20 0 CBADLP CC[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+][C@@H]1CCNC1=O ZINC001405254123 903131298 /nfs/dbraw/zinc/13/12/98/903131298.db2.gz MDDHDELESOPFQD-CMPLNLGQSA-N 2 2 293.371 -0.285 20 0 CBADLP CC[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH2+][C@@H]1CCNC1=O ZINC001405254123 903131304 /nfs/dbraw/zinc/13/13/04/903131304.db2.gz MDDHDELESOPFQD-CMPLNLGQSA-N 2 2 293.371 -0.285 20 0 CBADLP C[C@H](CNC(=O)CCc1[nH+]ccn1C)C[NH2+]CC(N)=O ZINC001405687759 903202451 /nfs/dbraw/zinc/20/24/51/903202451.db2.gz MMSUUOKGFFZKDW-JTQLQIEISA-N 2 2 281.360 -0.820 20 0 CBADLP CC1CC[NH+](CC(=O)NC[C@@H]2C[N@H+](CCO)CCO2)CC1 ZINC001405731267 903208455 /nfs/dbraw/zinc/20/84/55/903208455.db2.gz RFSIQAWCIYXCLG-CQSZACIVSA-N 2 2 299.415 -0.472 20 0 CBADLP CC1CC[NH+](CC(=O)NC[C@@H]2C[N@@H+](CCO)CCO2)CC1 ZINC001405731267 903208462 /nfs/dbraw/zinc/20/84/62/903208462.db2.gz RFSIQAWCIYXCLG-CQSZACIVSA-N 2 2 299.415 -0.472 20 0 CBADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+]Cc1nncn1C ZINC001405722944 903210391 /nfs/dbraw/zinc/21/03/91/903210391.db2.gz VNHHIQMOUKHVEG-LLVKDONJSA-N 2 2 291.359 -0.446 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NCC1([NH2+]CCO)CCCC1 ZINC001405770435 903218836 /nfs/dbraw/zinc/21/88/36/903218836.db2.gz DFNMNORVYQIGAG-UHFFFAOYSA-N 2 2 280.372 -0.027 20 0 CBADLP C[C@H](C[NH2+]CC(=O)N1CCC1)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001405869150 903241493 /nfs/dbraw/zinc/24/14/93/903241493.db2.gz JTWXDKPHQWFABI-LLVKDONJSA-N 2 2 293.371 -0.379 20 0 CBADLP COC[C@H](O)C[NH2+]C[C@@H](C)N(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001405903325 903245890 /nfs/dbraw/zinc/24/58/90/903245890.db2.gz XFPAJYDHUCBOMH-ZYHUDNBSSA-N 2 2 298.387 -0.296 20 0 CBADLP COC[C@H](O)C[NH2+]C[C@H](C)N(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001405903309 903247014 /nfs/dbraw/zinc/24/70/14/903247014.db2.gz XFPAJYDHUCBOMH-CMPLNLGQSA-N 2 2 298.387 -0.296 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@@H](CNC(=O)Cc1[nH]cc[nH+]1)C(C)C ZINC001406078606 903265679 /nfs/dbraw/zinc/26/56/79/903265679.db2.gz XVIFMNKUHHDYNC-MNOVXSKESA-N 2 2 295.387 -0.183 20 0 CBADLP CCNC(=O)C[N@H+](C)CCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001406100917 903266932 /nfs/dbraw/zinc/26/69/32/903266932.db2.gz BXTPVIPPLFWYLB-UHFFFAOYSA-N 2 2 298.431 -0.003 20 0 CBADLP CCNC(=O)C[N@@H+](C)CCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001406100917 903266946 /nfs/dbraw/zinc/26/69/46/903266946.db2.gz BXTPVIPPLFWYLB-UHFFFAOYSA-N 2 2 298.431 -0.003 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N(C)CC[N@H+](C)[C@H]1CCNC1=O ZINC001406115416 903272366 /nfs/dbraw/zinc/27/23/66/903272366.db2.gz LLRQNZQTIDBVKX-LBPRGKRZSA-N 2 2 293.371 -0.530 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N(C)CC[N@@H+](C)[C@H]1CCNC1=O ZINC001406115416 903272381 /nfs/dbraw/zinc/27/23/81/903272381.db2.gz LLRQNZQTIDBVKX-LBPRGKRZSA-N 2 2 293.371 -0.530 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N(C)CC[N@@H+](C)[C@@H](C)C(N)=O ZINC001406112638 903273741 /nfs/dbraw/zinc/27/37/41/903273741.db2.gz GUCKRZABTRTANK-NSHDSACASA-N 2 2 281.360 -0.544 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N(C)CC[N@H+](C)[C@@H](C)C(N)=O ZINC001406112638 903273754 /nfs/dbraw/zinc/27/37/54/903273754.db2.gz GUCKRZABTRTANK-NSHDSACASA-N 2 2 281.360 -0.544 20 0 CBADLP CC(C)[C@H](C(=O)N(C)CC[N@H+](C)CC(N)=O)[NH+]1CCCC1 ZINC001406174312 903284563 /nfs/dbraw/zinc/28/45/63/903284563.db2.gz UUKAGDLXCDLGNU-CQSZACIVSA-N 2 2 298.431 -0.018 20 0 CBADLP CC(C)[C@H](C(=O)N(C)CC[N@@H+](C)CC(N)=O)[NH+]1CCCC1 ZINC001406174312 903284574 /nfs/dbraw/zinc/28/45/74/903284574.db2.gz UUKAGDLXCDLGNU-CQSZACIVSA-N 2 2 298.431 -0.018 20 0 CBADLP Cc1conc1C[NH2+]C[C@@H](O)CNC(=O)C[NH+]1CCCC1 ZINC001406281329 903339112 /nfs/dbraw/zinc/33/91/12/903339112.db2.gz HDOSWQYJIKDMLJ-GFCCVEGCSA-N 2 2 296.371 -0.354 20 0 CBADLP CCN(CC[NH2+][C@H](C)C(N)=O)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001406329254 903360374 /nfs/dbraw/zinc/36/03/74/903360374.db2.gz PPKPZEYIGCMUJP-GMTAPVOTSA-N 2 2 293.371 -0.175 20 0 CBADLP CCN(CC[NH2+][C@@H](C)C(=O)NC)C(=O)Cc1[nH]c[nH+]c1C ZINC001406345963 903366719 /nfs/dbraw/zinc/36/67/19/903366719.db2.gz ZLNRBVPQWZTNBJ-NSHDSACASA-N 2 2 295.387 -0.167 20 0 CBADLP C[C@H](C[NH2+][C@@H]1CCCN(C)C1=O)NC(=O)Cc1c[nH]c[nH+]1 ZINC001406410867 903395124 /nfs/dbraw/zinc/39/51/24/903395124.db2.gz RLRUYDWAJRXJOS-ZYHUDNBSSA-N 2 2 293.371 -0.333 20 0 CBADLP C[C@@H](C[NH2+]CC(=O)N(C)C1CC1)NC(=O)Cn1cc[nH+]c1 ZINC001406574914 903433119 /nfs/dbraw/zinc/43/31/19/903433119.db2.gz VWPKZBBMTKTXAU-NSHDSACASA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@@H](C[N@H+](C)[C@H]1CCNC1=O)NC(=O)CCn1cc[nH+]c1 ZINC001406644485 903458393 /nfs/dbraw/zinc/45/83/93/903458393.db2.gz LOJYAMWBTIPZPY-RYUDHWBXSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@@H](C[N@@H+](C)[C@H]1CCNC1=O)NC(=O)CCn1cc[nH+]c1 ZINC001406644485 903458400 /nfs/dbraw/zinc/45/84/00/903458400.db2.gz LOJYAMWBTIPZPY-RYUDHWBXSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@H](C[N@H+](C)CC(N)=O)NC(=O)C[NH+]1CCC(C)CC1 ZINC001406675976 903459609 /nfs/dbraw/zinc/45/96/09/903459609.db2.gz BHLGPZCWUWPNAD-GFCCVEGCSA-N 2 2 284.404 -0.360 20 0 CBADLP C[C@H](C[N@@H+](C)CC(N)=O)NC(=O)C[NH+]1CCC(C)CC1 ZINC001406675976 903459615 /nfs/dbraw/zinc/45/96/15/903459615.db2.gz BHLGPZCWUWPNAD-GFCCVEGCSA-N 2 2 284.404 -0.360 20 0 CBADLP C[C@H](C[N@H+](C)[C@@H](C)C(N)=O)NC(=O)Cc1c[nH+]cn1C ZINC001406697275 903465519 /nfs/dbraw/zinc/46/55/19/903465519.db2.gz PVJXKTYGWFPMFD-ZJUUUORDSA-N 2 2 281.360 -0.727 20 0 CBADLP C[C@H](C[N@@H+](C)[C@@H](C)C(N)=O)NC(=O)Cc1c[nH+]cn1C ZINC001406697275 903465524 /nfs/dbraw/zinc/46/55/24/903465524.db2.gz PVJXKTYGWFPMFD-ZJUUUORDSA-N 2 2 281.360 -0.727 20 0 CBADLP CC[C@H](C(=O)NCC1([NH2+]Cc2nncn2C)CC1)[NH+](C)C ZINC001406938841 903514119 /nfs/dbraw/zinc/51/41/19/903514119.db2.gz PZGPOZAJJUWJMO-LLVKDONJSA-N 2 2 294.403 -0.106 20 0 CBADLP NC(=O)C[NH2+]C[C@H](NC(=O)Cn1cc[nH+]c1)C1CCCC1 ZINC001407177016 903552590 /nfs/dbraw/zinc/55/25/90/903552590.db2.gz UTMDPHUCAHBFDP-LBPRGKRZSA-N 2 2 293.371 -0.367 20 0 CBADLP CC(C)[C@H](C(=O)NCC1(O)C[NH+](C[C@H](C)O)C1)[NH+](C)C ZINC001407429753 903605849 /nfs/dbraw/zinc/60/58/49/903605849.db2.gz TXWVOAGNOFAQHU-NWDGAFQWSA-N 2 2 287.404 -0.884 20 0 CBADLP C[C@H](O)C[NH+]1CC(O)(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001407426334 903607079 /nfs/dbraw/zinc/60/70/79/903607079.db2.gz BTZSWDXCQHDFOS-LBPRGKRZSA-N 2 2 299.415 -0.596 20 0 CBADLP C[C@@H]([NH2+]CC(N)=O)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001407535104 903625006 /nfs/dbraw/zinc/62/50/06/903625006.db2.gz JSURKWIBKBAJOK-NXEZZACHSA-N 2 2 279.344 -0.736 20 0 CBADLP CN(CCC[N@H+](C)[C@H]1CCNC1=O)C(=O)Cc1[nH]cc[nH+]1 ZINC001407927932 903680874 /nfs/dbraw/zinc/68/08/74/903680874.db2.gz GVXLOCPXFVXRDN-NSHDSACASA-N 2 2 293.371 -0.379 20 0 CBADLP CN(CCC[N@@H+](C)[C@H]1CCNC1=O)C(=O)Cc1[nH]cc[nH+]1 ZINC001407927932 903680884 /nfs/dbraw/zinc/68/08/84/903680884.db2.gz GVXLOCPXFVXRDN-NSHDSACASA-N 2 2 293.371 -0.379 20 0 CBADLP CC[N@H+](C)CCC(=O)NC[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001408328660 903752552 /nfs/dbraw/zinc/75/25/52/903752552.db2.gz HUGUKLKMLLNNBI-LLVKDONJSA-N 2 2 295.387 -0.085 20 0 CBADLP CC[N@@H+](C)CCC(=O)NC[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001408328660 903752562 /nfs/dbraw/zinc/75/25/62/903752562.db2.gz HUGUKLKMLLNNBI-LLVKDONJSA-N 2 2 295.387 -0.085 20 0 CBADLP CN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)Cn1cc[nH+]c1 ZINC001408575409 903789720 /nfs/dbraw/zinc/78/97/20/903789720.db2.gz WZVNWFXTZXYZTR-GFCCVEGCSA-N 2 2 293.371 -0.591 20 0 CBADLP CN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)Cn1cc[nH+]c1 ZINC001408575409 903789728 /nfs/dbraw/zinc/78/97/28/903789728.db2.gz WZVNWFXTZXYZTR-GFCCVEGCSA-N 2 2 293.371 -0.591 20 0 CBADLP COC[C@]1(CO)CC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC001460108068 914756933 /nfs/dbraw/zinc/75/69/33/914756933.db2.gz GTOJJFHRQJQFHC-UONOGXRCSA-N 2 2 272.389 -0.228 20 0 CBADLP COC[C@]1(CO)CC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC001460108068 914756954 /nfs/dbraw/zinc/75/69/54/914756954.db2.gz GTOJJFHRQJQFHC-UONOGXRCSA-N 2 2 272.389 -0.228 20 0 CBADLP COC[C@]1(CO)CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC001460108068 914756967 /nfs/dbraw/zinc/75/69/67/914756967.db2.gz GTOJJFHRQJQFHC-UONOGXRCSA-N 2 2 272.389 -0.228 20 0 CBADLP COC[C@]1(CO)CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC001460108068 914756975 /nfs/dbraw/zinc/75/69/75/914756975.db2.gz GTOJJFHRQJQFHC-UONOGXRCSA-N 2 2 272.389 -0.228 20 0 CBADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC001460208046 914767438 /nfs/dbraw/zinc/76/74/38/914767438.db2.gz PYTISJKZFGUHJM-VXGBXAGGSA-N 2 2 264.329 -0.219 20 0 CBADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC001460208046 914767456 /nfs/dbraw/zinc/76/74/56/914767456.db2.gz PYTISJKZFGUHJM-VXGBXAGGSA-N 2 2 264.329 -0.219 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NC[C@@H](C)[N@H+](C)[C@@H]1CCNC1=O ZINC001409590759 903935139 /nfs/dbraw/zinc/93/51/39/903935139.db2.gz ZBYYEQCDSRMWKT-ZYHUDNBSSA-N 2 2 293.371 -0.483 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NC[C@@H](C)[N@@H+](C)[C@@H]1CCNC1=O ZINC001409590759 903935149 /nfs/dbraw/zinc/93/51/49/903935149.db2.gz ZBYYEQCDSRMWKT-ZYHUDNBSSA-N 2 2 293.371 -0.483 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NC[C@@H](C)[N@H+](C)[C@H]1CCNC1=O ZINC001409590756 903938009 /nfs/dbraw/zinc/93/80/09/903938009.db2.gz ZBYYEQCDSRMWKT-PWSUYJOCSA-N 2 2 293.371 -0.483 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NC[C@@H](C)[N@@H+](C)[C@H]1CCNC1=O ZINC001409590756 903938017 /nfs/dbraw/zinc/93/80/17/903938017.db2.gz ZBYYEQCDSRMWKT-PWSUYJOCSA-N 2 2 293.371 -0.483 20 0 CBADLP C[C@H](NC(=O)CCc1[nH+]ccn1C)C1C[NH+](CCO)C1 ZINC001409927794 903982025 /nfs/dbraw/zinc/98/20/25/903982025.db2.gz NPBUVYDJLGLXBR-NSHDSACASA-N 2 2 280.372 -0.219 20 0 CBADLP CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001409928997 903985236 /nfs/dbraw/zinc/98/52/36/903985236.db2.gz PVYNIOLVFNOKKM-LLVKDONJSA-N 2 2 296.415 -0.347 20 0 CBADLP CCC[N@H+](C)CC(=O)N[C@@H](C)C1C[NH+](CC(=O)NC)C1 ZINC001409970988 903987967 /nfs/dbraw/zinc/98/79/67/903987967.db2.gz SFHUDMHQPRCUDD-NSHDSACASA-N 2 2 284.404 -0.489 20 0 CBADLP CCC[N@@H+](C)CC(=O)N[C@@H](C)C1C[NH+](CC(=O)NC)C1 ZINC001409970988 903987985 /nfs/dbraw/zinc/98/79/85/903987985.db2.gz SFHUDMHQPRCUDD-NSHDSACASA-N 2 2 284.404 -0.489 20 0 CBADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1C[C@H](O)[C@@H](CO)C1 ZINC001460221648 914773397 /nfs/dbraw/zinc/77/33/97/914773397.db2.gz QSLYDLGSGNCDDG-PMPSAXMXSA-N 2 2 294.395 -0.236 20 0 CBADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1C[C@H](O)[C@@H](CO)C1 ZINC001460221648 914773413 /nfs/dbraw/zinc/77/34/13/914773413.db2.gz QSLYDLGSGNCDDG-PMPSAXMXSA-N 2 2 294.395 -0.236 20 0 CBADLP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1C[C@H](O)[C@@H](CO)C1 ZINC001460221648 914773428 /nfs/dbraw/zinc/77/34/28/914773428.db2.gz QSLYDLGSGNCDDG-PMPSAXMXSA-N 2 2 294.395 -0.236 20 0 CBADLP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1C[C@H](O)[C@@H](CO)C1 ZINC001460221648 914773447 /nfs/dbraw/zinc/77/34/47/914773447.db2.gz QSLYDLGSGNCDDG-PMPSAXMXSA-N 2 2 294.395 -0.236 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@H](C[NH2+][C@@H](C)C(N)=O)C1 ZINC001410231951 904049001 /nfs/dbraw/zinc/04/90/01/904049001.db2.gz WSXZZKDEEIYOJZ-DCAQKATOSA-N 2 2 293.371 -0.381 20 0 CBADLP CC[NH+](CC)CC(=O)NC[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001410296860 904060582 /nfs/dbraw/zinc/06/05/82/904060582.db2.gz KKPUWXNVNAFHMY-LLVKDONJSA-N 2 2 295.387 -0.085 20 0 CBADLP C[C@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+][C@@H](C)C(=O)N(C)C ZINC001410526963 904113864 /nfs/dbraw/zinc/11/38/64/904113864.db2.gz HQWBLCHCFBEVCA-NEPJUHHUSA-N 2 2 295.387 -0.204 20 0 CBADLP CO[C@@H](C)C[NH2+][C@H](CO)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001410720546 904169233 /nfs/dbraw/zinc/16/92/33/904169233.db2.gz HELUZVVLWVDGDL-ONGXEEELSA-N 2 2 270.333 -0.946 20 0 CBADLP Cn1ccnc1C[NH2+][C@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001410781852 904184148 /nfs/dbraw/zinc/18/41/48/904184148.db2.gz GKHHNEHKDQZXLV-LBPRGKRZSA-N 2 2 295.387 -0.917 20 0 CBADLP CNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001410893394 904201649 /nfs/dbraw/zinc/20/16/49/904201649.db2.gz VGAMAFXIAZQLPY-GXSJLCMTSA-N 2 2 293.371 -0.414 20 0 CBADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001412302241 904520514 /nfs/dbraw/zinc/52/05/14/904520514.db2.gz CEXHEBOEKNZOKI-UMSGYPCISA-N 2 2 290.367 -0.199 20 0 CBADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001412302241 904520522 /nfs/dbraw/zinc/52/05/22/904520522.db2.gz CEXHEBOEKNZOKI-UMSGYPCISA-N 2 2 290.367 -0.199 20 0 CBADLP Cc1cn(C)nc1C[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC001461164545 914854600 /nfs/dbraw/zinc/85/46/00/914854600.db2.gz CAZKGKFTNBTMKK-UHFFFAOYSA-N 2 2 279.388 -0.018 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC001413484391 905099780 /nfs/dbraw/zinc/09/97/80/905099780.db2.gz DFZDSQZOKPZDLH-NWDGAFQWSA-N 2 2 278.356 -0.072 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC001413484391 905099798 /nfs/dbraw/zinc/09/97/98/905099798.db2.gz DFZDSQZOKPZDLH-NWDGAFQWSA-N 2 2 278.356 -0.072 20 0 CBADLP COC(=O)[C@H]1CN(CC[N@@H+]2CCO[C@@H](C)C2)CC[NH+](C)C1 ZINC001414001790 905311005 /nfs/dbraw/zinc/31/10/05/905311005.db2.gz VTQOKMLHINHLPB-UONOGXRCSA-N 2 2 299.415 -0.256 20 0 CBADLP COC(=O)[C@H]1CN(CC[N@H+]2CCO[C@@H](C)C2)CC[NH+](C)C1 ZINC001414001790 905311024 /nfs/dbraw/zinc/31/10/24/905311024.db2.gz VTQOKMLHINHLPB-UONOGXRCSA-N 2 2 299.415 -0.256 20 0 CBADLP COC(=O)[C@H]1CN(CC[NH+]2CCO[C@@H](C)C2)CC[N@H+](C)C1 ZINC001414001790 905311036 /nfs/dbraw/zinc/31/10/36/905311036.db2.gz VTQOKMLHINHLPB-UONOGXRCSA-N 2 2 299.415 -0.256 20 0 CBADLP COC(=O)[C@H]1CN(CC[NH+]2CCO[C@@H](C)C2)CC[N@@H+](C)C1 ZINC001414001790 905311048 /nfs/dbraw/zinc/31/10/48/905311048.db2.gz VTQOKMLHINHLPB-UONOGXRCSA-N 2 2 299.415 -0.256 20 0 CBADLP CC[C@H]([NH2+][C@H]1C[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1)C(N)=O ZINC001417802080 906059531 /nfs/dbraw/zinc/05/95/31/906059531.db2.gz OKOXTDKFWFMTAG-DCAQKATOSA-N 2 2 293.371 -0.300 20 0 CBADLP O=C(Cn1cc[nH+]c1)NCCN1CC[NH+](CCCF)CC1 ZINC001417928842 906109932 /nfs/dbraw/zinc/10/99/32/906109932.db2.gz MMQAALDWVPPUMC-UHFFFAOYSA-N 2 2 297.378 -0.024 20 0 CBADLP C[NH+](C)C1(C(=O)N[C@H]2CC[N@@H+]([C@H]3CCNC3=O)C2)CCC1 ZINC001417936020 906116303 /nfs/dbraw/zinc/11/63/03/906116303.db2.gz UOMVIEYPGJOQNY-RYUDHWBXSA-N 2 2 294.399 -0.450 20 0 CBADLP C[NH+](C)C1(C(=O)N[C@H]2CC[N@H+]([C@H]3CCNC3=O)C2)CCC1 ZINC001417936020 906116311 /nfs/dbraw/zinc/11/63/11/906116311.db2.gz UOMVIEYPGJOQNY-RYUDHWBXSA-N 2 2 294.399 -0.450 20 0 CBADLP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CCCC[NH+]2CC(N)=O)C1 ZINC001418152714 906179136 /nfs/dbraw/zinc/17/91/36/906179136.db2.gz CTTJQYDPSBCADZ-QWHCGFSZSA-N 2 2 296.415 -0.216 20 0 CBADLP C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2CCCC[NH+]2CC(N)=O)C1 ZINC001418152714 906179142 /nfs/dbraw/zinc/17/91/42/906179142.db2.gz CTTJQYDPSBCADZ-QWHCGFSZSA-N 2 2 296.415 -0.216 20 0 CBADLP C[C@H]1CC[NH+](CC(=O)NC[C@H]2CCCC[N@@H+]2CC(N)=O)C1 ZINC001418152714 906179151 /nfs/dbraw/zinc/17/91/51/906179151.db2.gz CTTJQYDPSBCADZ-QWHCGFSZSA-N 2 2 296.415 -0.216 20 0 CBADLP C[C@H]1CC[NH+](CC(=O)NC[C@H]2CCCC[N@H+]2CC(N)=O)C1 ZINC001418152714 906179161 /nfs/dbraw/zinc/17/91/61/906179161.db2.gz CTTJQYDPSBCADZ-QWHCGFSZSA-N 2 2 296.415 -0.216 20 0 CBADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CCn1cncn1 ZINC001418288989 906258618 /nfs/dbraw/zinc/25/86/18/906258618.db2.gz BFJFDKDYJOXODC-SNVBAGLBSA-N 2 2 277.332 -0.662 20 0 CBADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CCN1CCCC1=O ZINC001418291578 906264460 /nfs/dbraw/zinc/26/44/60/906264460.db2.gz MQTZVTKHSDLRFN-NSHDSACASA-N 2 2 293.371 -0.331 20 0 CBADLP C[C@@H](CNC(=O)CCCn1cc[nH+]c1)[NH2+]CC(=O)N(C)C ZINC001418323960 906281447 /nfs/dbraw/zinc/28/14/47/906281447.db2.gz LOWVYIHYTCWADI-LBPRGKRZSA-N 2 2 295.387 -0.154 20 0 CBADLP CC[N@@H+]1CC[C@H]1C(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC001418403357 906313484 /nfs/dbraw/zinc/31/34/84/906313484.db2.gz IASZTCGMJMUVJI-LBPRGKRZSA-N 2 2 284.404 -0.441 20 0 CBADLP CC[N@H+]1CC[C@H]1C(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC001418403357 906313492 /nfs/dbraw/zinc/31/34/92/906313492.db2.gz IASZTCGMJMUVJI-LBPRGKRZSA-N 2 2 284.404 -0.441 20 0 CBADLP CC[C@@H]([NH2+][C@H](C)CCNC(=O)Cn1cc[nH+]c1)C(N)=O ZINC001418440587 906323602 /nfs/dbraw/zinc/32/36/02/906323602.db2.gz WLAZEHFTDZXNCO-GHMZBOCLSA-N 2 2 281.360 -0.369 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NCC[N@@H+](C)CC(=O)N(C)C ZINC001418479058 906356862 /nfs/dbraw/zinc/35/68/62/906356862.db2.gz UWOTYUSTNJXVJZ-UHFFFAOYSA-N 2 2 281.360 -0.672 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NCC[N@H+](C)CC(=O)N(C)C ZINC001418479058 906356881 /nfs/dbraw/zinc/35/68/81/906356881.db2.gz UWOTYUSTNJXVJZ-UHFFFAOYSA-N 2 2 281.360 -0.672 20 0 CBADLP COc1ccc(C[N@H+](C)CCNC(=O)CC[NH+](C)C)nn1 ZINC001418492384 906363157 /nfs/dbraw/zinc/36/31/57/906363157.db2.gz SBTOEUXYRDGJEL-UHFFFAOYSA-N 2 2 295.387 -0.015 20 0 CBADLP COc1ccc(C[N@@H+](C)CCNC(=O)CC[NH+](C)C)nn1 ZINC001418492384 906363168 /nfs/dbraw/zinc/36/31/68/906363168.db2.gz SBTOEUXYRDGJEL-UHFFFAOYSA-N 2 2 295.387 -0.015 20 0 CBADLP CC[N@H+](C)CCC(=O)N(C)C[C@@H]1CC[NH+]1[C@H](C)C(=O)NC ZINC001418594816 906419393 /nfs/dbraw/zinc/41/93/93/906419393.db2.gz MZMGABGMLNAXGT-OLZOCXBDSA-N 2 2 298.431 -0.005 20 0 CBADLP CC[N@@H+](C)CCC(=O)N(C)C[C@@H]1CC[NH+]1[C@H](C)C(=O)NC ZINC001418594816 906419399 /nfs/dbraw/zinc/41/93/99/906419399.db2.gz MZMGABGMLNAXGT-OLZOCXBDSA-N 2 2 298.431 -0.005 20 0 CBADLP CC[NH+](C)CCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@H](C)C(=O)NC ZINC001418594816 906419407 /nfs/dbraw/zinc/41/94/07/906419407.db2.gz MZMGABGMLNAXGT-OLZOCXBDSA-N 2 2 298.431 -0.005 20 0 CBADLP CC[NH+](C)CCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@H](C)C(=O)NC ZINC001418594816 906419417 /nfs/dbraw/zinc/41/94/17/906419417.db2.gz MZMGABGMLNAXGT-OLZOCXBDSA-N 2 2 298.431 -0.005 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001418664898 906442435 /nfs/dbraw/zinc/44/24/35/906442435.db2.gz GOWIBXBVXFEOEP-TUAOUCFPSA-N 2 2 291.355 -0.744 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)NC[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001418690353 906450928 /nfs/dbraw/zinc/45/09/28/906450928.db2.gz OKMMISPVGXVMSF-NSHDSACASA-N 2 2 293.371 -0.724 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)NC[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001418690353 906450939 /nfs/dbraw/zinc/45/09/39/906450939.db2.gz OKMMISPVGXVMSF-NSHDSACASA-N 2 2 293.371 -0.724 20 0 CBADLP CC[C@H]([NH2+][C@H]1C[C@H](CNC(=O)Cn2cc[nH+]c2)C1)C(N)=O ZINC001418710241 906455134 /nfs/dbraw/zinc/45/51/34/906455134.db2.gz REGMWBMGDUGVLS-SRVKXCTJSA-N 2 2 293.371 -0.369 20 0 CBADLP CCCN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001418870178 906502017 /nfs/dbraw/zinc/50/20/17/906502017.db2.gz YQWQGGKUFDPDFX-STQMWFEESA-N 2 2 296.415 -0.121 20 0 CBADLP CCCN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001418870178 906502033 /nfs/dbraw/zinc/50/20/33/906502033.db2.gz YQWQGGKUFDPDFX-STQMWFEESA-N 2 2 296.415 -0.121 20 0 CBADLP CCCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](CC(N)=O)C1 ZINC001418870178 906502041 /nfs/dbraw/zinc/50/20/41/906502041.db2.gz YQWQGGKUFDPDFX-STQMWFEESA-N 2 2 296.415 -0.121 20 0 CBADLP CCCN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CC[NH+](CC(N)=O)C1 ZINC001418870178 906502050 /nfs/dbraw/zinc/50/20/50/906502050.db2.gz YQWQGGKUFDPDFX-STQMWFEESA-N 2 2 296.415 -0.121 20 0 CBADLP CCCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001418870173 906506035 /nfs/dbraw/zinc/50/60/35/906506035.db2.gz YQWQGGKUFDPDFX-CHWSQXEVSA-N 2 2 296.415 -0.121 20 0 CBADLP CCCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001418870173 906506053 /nfs/dbraw/zinc/50/60/53/906506053.db2.gz YQWQGGKUFDPDFX-CHWSQXEVSA-N 2 2 296.415 -0.121 20 0 CBADLP CCCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001418870173 906506070 /nfs/dbraw/zinc/50/60/70/906506070.db2.gz YQWQGGKUFDPDFX-CHWSQXEVSA-N 2 2 296.415 -0.121 20 0 CBADLP CCCN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001418870173 906506086 /nfs/dbraw/zinc/50/60/86/906506086.db2.gz YQWQGGKUFDPDFX-CHWSQXEVSA-N 2 2 296.415 -0.121 20 0 CBADLP C[N@@H+]1CCN(C(=O)CC[NH+]2CC[C@@H](F)C2)C[C@@H]1CO ZINC001418912607 906508973 /nfs/dbraw/zinc/50/89/73/906508973.db2.gz ZZUIYJGWKLCOCV-VXGBXAGGSA-N 2 2 273.352 -0.445 20 0 CBADLP C[N@H+]1CCN(C(=O)CC[NH+]2CC[C@@H](F)C2)C[C@@H]1CO ZINC001418912607 906508985 /nfs/dbraw/zinc/50/89/85/906508985.db2.gz ZZUIYJGWKLCOCV-VXGBXAGGSA-N 2 2 273.352 -0.445 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@@H](F)C2)C[C@@H]1CO ZINC001418912607 906508997 /nfs/dbraw/zinc/50/89/97/906508997.db2.gz ZZUIYJGWKLCOCV-VXGBXAGGSA-N 2 2 273.352 -0.445 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@@H](F)C2)C[C@@H]1CO ZINC001418912607 906509004 /nfs/dbraw/zinc/50/90/04/906509004.db2.gz ZZUIYJGWKLCOCV-VXGBXAGGSA-N 2 2 273.352 -0.445 20 0 CBADLP C[C@@H](C(N)=O)[N@H+](C)C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001418941339 906523214 /nfs/dbraw/zinc/52/32/14/906523214.db2.gz HNFRMTSQAVPQGL-WDEREUQCSA-N 2 2 293.371 -0.394 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+](C)C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001418941339 906523225 /nfs/dbraw/zinc/52/32/25/906523225.db2.gz HNFRMTSQAVPQGL-WDEREUQCSA-N 2 2 293.371 -0.394 20 0 CBADLP CC[C@@H](C(=O)N[C@H]1CCC[N@@H+]([C@H]2CCNC2=O)C1)[NH+](C)C ZINC001418957906 906528239 /nfs/dbraw/zinc/52/82/39/906528239.db2.gz IJZGPCOITTZHIN-AVGNSLFASA-N 2 2 296.415 -0.204 20 0 CBADLP CC[C@@H](C(=O)N[C@H]1CCC[N@H+]([C@H]2CCNC2=O)C1)[NH+](C)C ZINC001418957906 906528245 /nfs/dbraw/zinc/52/82/45/906528245.db2.gz IJZGPCOITTZHIN-AVGNSLFASA-N 2 2 296.415 -0.204 20 0 CBADLP CCC[N@H+](C)CC(=O)NCC1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001419042618 906573592 /nfs/dbraw/zinc/57/35/92/906573592.db2.gz PHOCFDUKPBXZSS-JTQLQIEISA-N 2 2 270.377 -0.750 20 0 CBADLP CCC[N@@H+](C)CC(=O)NCC1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001419042618 906573603 /nfs/dbraw/zinc/57/36/03/906573603.db2.gz PHOCFDUKPBXZSS-JTQLQIEISA-N 2 2 270.377 -0.750 20 0 CBADLP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+]([C@H](C)C(N)=O)C1 ZINC001419178720 906628808 /nfs/dbraw/zinc/62/88/08/906628808.db2.gz JSTXGBUGRLAAGA-MNOVXSKESA-N 2 2 270.377 -0.608 20 0 CBADLP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+]([C@H](C)C(N)=O)C1 ZINC001419178720 906628820 /nfs/dbraw/zinc/62/88/20/906628820.db2.gz JSTXGBUGRLAAGA-MNOVXSKESA-N 2 2 270.377 -0.608 20 0 CBADLP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001419178720 906628825 /nfs/dbraw/zinc/62/88/25/906628825.db2.gz JSTXGBUGRLAAGA-MNOVXSKESA-N 2 2 270.377 -0.608 20 0 CBADLP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001419178720 906628833 /nfs/dbraw/zinc/62/88/33/906628833.db2.gz JSTXGBUGRLAAGA-MNOVXSKESA-N 2 2 270.377 -0.608 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](Cc2cnnn2C)C1 ZINC001419219571 906640311 /nfs/dbraw/zinc/64/03/11/906640311.db2.gz XFSPLKNFZDQDSN-GFCCVEGCSA-N 2 2 294.403 -0.154 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](Cc2cnnn2C)C1 ZINC001419219571 906640319 /nfs/dbraw/zinc/64/03/19/906640319.db2.gz XFSPLKNFZDQDSN-GFCCVEGCSA-N 2 2 294.403 -0.154 20 0 CBADLP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@H+](Cc2cnnn2C)C1 ZINC001419219571 906640326 /nfs/dbraw/zinc/64/03/26/906640326.db2.gz XFSPLKNFZDQDSN-GFCCVEGCSA-N 2 2 294.403 -0.154 20 0 CBADLP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](Cc2cnnn2C)C1 ZINC001419219571 906640333 /nfs/dbraw/zinc/64/03/33/906640333.db2.gz XFSPLKNFZDQDSN-GFCCVEGCSA-N 2 2 294.403 -0.154 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@@H]([NH2+][C@H]1CCNC1=O)C1CC1 ZINC001419322832 906661814 /nfs/dbraw/zinc/66/18/14/906661814.db2.gz JUXOFWCJFPFGDB-NWDGAFQWSA-N 2 2 291.355 -0.744 20 0 CBADLP O=C(CCn1cc[nH+]c1)N[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001419416006 906682938 /nfs/dbraw/zinc/68/29/38/906682938.db2.gz YRUGTSKXPYAVOQ-SRVKXCTJSA-N 2 2 291.355 -0.602 20 0 CBADLP CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001419430994 906685681 /nfs/dbraw/zinc/68/56/81/906685681.db2.gz YCYYLCIVTZRMOV-GMTAPVOTSA-N 2 2 293.371 -0.429 20 0 CBADLP CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001419430994 906685692 /nfs/dbraw/zinc/68/56/92/906685692.db2.gz YCYYLCIVTZRMOV-GMTAPVOTSA-N 2 2 293.371 -0.429 20 0 CBADLP C[C@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)C[NH2+]CC(N)=O ZINC001419478027 906700150 /nfs/dbraw/zinc/70/01/50/906700150.db2.gz APRNUXUXWOUFHK-QWRGUYRKSA-N 2 2 293.371 -0.727 20 0 CBADLP CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)CCn2cc[nH+]c2)C1)C(N)=O ZINC001419481092 906701962 /nfs/dbraw/zinc/70/19/62/906701962.db2.gz SFICCBYYYDNVAF-GRYCIOLGSA-N 2 2 293.371 -0.226 20 0 CBADLP CC(C)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001419495671 906704592 /nfs/dbraw/zinc/70/45/92/906704592.db2.gz CFRXLARGBDCMEW-PHIMTYICSA-N 2 2 293.371 -0.286 20 0 CBADLP COCC[N@@H+]1CCO[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001419563389 906728544 /nfs/dbraw/zinc/72/85/44/906728544.db2.gz FEPYSJBQZKYLME-ZDUSSCGKSA-N 2 2 299.415 -0.208 20 0 CBADLP COCC[N@H+]1CCO[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001419563389 906728555 /nfs/dbraw/zinc/72/85/55/906728555.db2.gz FEPYSJBQZKYLME-ZDUSSCGKSA-N 2 2 299.415 -0.208 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NC[C@H]1C[NH+](CCO)CCO1 ZINC001419579900 906738264 /nfs/dbraw/zinc/73/82/64/906738264.db2.gz LHTQHMPWBYRASK-LBPRGKRZSA-N 2 2 273.377 -0.864 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NC[C@H]1C[NH+](CCO)CCO1 ZINC001419579900 906738275 /nfs/dbraw/zinc/73/82/75/906738275.db2.gz LHTQHMPWBYRASK-LBPRGKRZSA-N 2 2 273.377 -0.864 20 0 CBADLP CC(C)[NH+](C)CC(=O)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001419579900 906738285 /nfs/dbraw/zinc/73/82/85/906738285.db2.gz LHTQHMPWBYRASK-LBPRGKRZSA-N 2 2 273.377 -0.864 20 0 CBADLP CC(C)[NH+](C)CC(=O)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001419579900 906738298 /nfs/dbraw/zinc/73/82/98/906738298.db2.gz LHTQHMPWBYRASK-LBPRGKRZSA-N 2 2 273.377 -0.864 20 0 CBADLP NC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001419621770 906742337 /nfs/dbraw/zinc/74/23/37/906742337.db2.gz RPESYPKIKAXELD-LLVKDONJSA-N 2 2 279.344 -0.592 20 0 CBADLP C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)CCc1c[nH]c[nH+]1)C(N)=O ZINC001419670562 906760199 /nfs/dbraw/zinc/76/01/99/906760199.db2.gz YBQMCNDIGIYFCM-VHSXEESVSA-N 2 2 281.360 -0.347 20 0 CBADLP C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)CCc1c[nH+]c[nH]1)C(N)=O ZINC001419670562 906760206 /nfs/dbraw/zinc/76/02/06/906760206.db2.gz YBQMCNDIGIYFCM-VHSXEESVSA-N 2 2 281.360 -0.347 20 0 CBADLP C[C@@H](C[NH2+][C@@H](C)C(N)=O)N(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001419670558 906760534 /nfs/dbraw/zinc/76/05/34/906760534.db2.gz YBQMCNDIGIYFCM-UWVGGRQHSA-N 2 2 281.360 -0.347 20 0 CBADLP C[C@@H](C[NH2+][C@@H](C)C(N)=O)N(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001419670558 906760540 /nfs/dbraw/zinc/76/05/40/906760540.db2.gz YBQMCNDIGIYFCM-UWVGGRQHSA-N 2 2 281.360 -0.347 20 0 CBADLP C[C@H](C[NH2+][C@@H](C)C(N)=O)N(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001419670568 906760792 /nfs/dbraw/zinc/76/07/92/906760792.db2.gz YBQMCNDIGIYFCM-ZJUUUORDSA-N 2 2 281.360 -0.347 20 0 CBADLP C[C@H](C[NH2+][C@@H](C)C(N)=O)N(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001419670568 906760806 /nfs/dbraw/zinc/76/08/06/906760806.db2.gz YBQMCNDIGIYFCM-ZJUUUORDSA-N 2 2 281.360 -0.347 20 0 CBADLP C[C@@H](C[NH2+]CC(N)=O)N(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001419699724 906770784 /nfs/dbraw/zinc/77/07/84/906770784.db2.gz ZAXXJPFEKGHLHS-WDEREUQCSA-N 2 2 293.371 -0.633 20 0 CBADLP CC(C)N(C)C(=O)C[NH2+][C@@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001419848433 906831150 /nfs/dbraw/zinc/83/11/50/906831150.db2.gz IUFDNEZTHZKYHY-NSHDSACASA-N 2 2 295.387 -0.087 20 0 CBADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@H]1CCCNC1=O ZINC001419894432 906849706 /nfs/dbraw/zinc/84/97/06/906849706.db2.gz KIHLMAHYMHQNPO-ZJUUUORDSA-N 2 2 279.344 -0.675 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)[NH2+]CC(=O)NC(C)C ZINC001419906076 906854023 /nfs/dbraw/zinc/85/40/23/906854023.db2.gz NUPZKPJLXGMHBF-SNVBAGLBSA-N 2 2 295.387 -0.120 20 0 CBADLP CNC(=O)C[NH2+][C@@H](CNC(=O)Cc1[nH]cc[nH+]1)C(C)C ZINC001419922364 906857679 /nfs/dbraw/zinc/85/76/79/906857679.db2.gz PIKPXZXLXNKFQG-JTQLQIEISA-N 2 2 281.360 -0.571 20 0 CBADLP COC[C@H](O)C[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001419986615 906883680 /nfs/dbraw/zinc/88/36/80/906883680.db2.gz FBSDIVHUXJSDQP-DGCLKSJQSA-N 2 2 296.371 -0.602 20 0 CBADLP CN(CC[N@H+](C)CC(=O)N1CCC1)C(=O)C[NH+]1CCCC1 ZINC001420049648 906912145 /nfs/dbraw/zinc/91/21/45/906912145.db2.gz JOCTYNBZFYBICJ-UHFFFAOYSA-N 2 2 296.415 -0.295 20 0 CBADLP CN(CC[N@@H+](C)CC(=O)N1CCC1)C(=O)C[NH+]1CCCC1 ZINC001420049648 906912158 /nfs/dbraw/zinc/91/21/58/906912158.db2.gz JOCTYNBZFYBICJ-UHFFFAOYSA-N 2 2 296.415 -0.295 20 0 CBADLP COC[C@@H](C)[NH2+]C[C@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001420186743 907000596 /nfs/dbraw/zinc/00/05/96/907000596.db2.gz RGLMBHVKCUEQGX-ZJUUUORDSA-N 2 2 270.333 -0.946 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H](O)C[NH2+]Cc1cncs1 ZINC001420190858 907002839 /nfs/dbraw/zinc/00/28/39/907002839.db2.gz ZZZFCQBUFTTWTR-SECBINFHSA-N 2 2 295.368 -0.324 20 0 CBADLP CCN(CC[NH2+][C@H](C)C(N)=O)C(=O)CCn1cc[nH+]c1 ZINC001420239171 907038412 /nfs/dbraw/zinc/03/84/12/907038412.db2.gz GTQARXYYDQDPGT-LLVKDONJSA-N 2 2 281.360 -0.415 20 0 CBADLP CCN(CC[NH2+][C@H]1CCNC1=O)C(=O)Cc1c[nH+]cn1C ZINC001420244818 907043197 /nfs/dbraw/zinc/04/31/97/907043197.db2.gz PMAYKRALWVHHDU-LBPRGKRZSA-N 2 2 293.371 -0.711 20 0 CBADLP CCN(CC[NH2+][C@@H]1CCNC1=O)C(=O)Cc1c[nH+]cn1C ZINC001420244816 907045275 /nfs/dbraw/zinc/04/52/75/907045275.db2.gz PMAYKRALWVHHDU-GFCCVEGCSA-N 2 2 293.371 -0.711 20 0 CBADLP C[NH+](CC(=O)NCC[N@@H+](C)CC(N)=O)CC(C)(C)C ZINC001420299395 907085351 /nfs/dbraw/zinc/08/53/51/907085351.db2.gz NTRFMXJIRXTJMG-UHFFFAOYSA-N 2 2 272.393 -0.502 20 0 CBADLP C[NH+](CC(=O)NCC[N@H+](C)CC(N)=O)CC(C)(C)C ZINC001420299395 907085369 /nfs/dbraw/zinc/08/53/69/907085369.db2.gz NTRFMXJIRXTJMG-UHFFFAOYSA-N 2 2 272.393 -0.502 20 0 CBADLP C[NH+](CCNC(=O)C[N@H+](C)CC(C)(C)C)CC(N)=O ZINC001420299395 907085385 /nfs/dbraw/zinc/08/53/85/907085385.db2.gz NTRFMXJIRXTJMG-UHFFFAOYSA-N 2 2 272.393 -0.502 20 0 CBADLP C[NH+](CCNC(=O)C[N@@H+](C)CC(C)(C)C)CC(N)=O ZINC001420299395 907085397 /nfs/dbraw/zinc/08/53/97/907085397.db2.gz NTRFMXJIRXTJMG-UHFFFAOYSA-N 2 2 272.393 -0.502 20 0 CBADLP C[C@H](C[NH2+]CC(=O)NCC1CC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001420344105 907114462 /nfs/dbraw/zinc/11/44/62/907114462.db2.gz JFOWKGPVQQCKBL-SNVBAGLBSA-N 2 2 293.371 -0.427 20 0 CBADLP CCCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001420352285 907119917 /nfs/dbraw/zinc/11/99/17/907119917.db2.gz MXUHMDIGIWHIFY-GHMZBOCLSA-N 2 2 295.387 -0.039 20 0 CBADLP C[C@H](C[NH2+]Cc1cn(C)nn1)NC(=O)Cn1cc[nH+]c1 ZINC001420383508 907130976 /nfs/dbraw/zinc/13/09/76/907130976.db2.gz AUSPUFSIEZISRI-SNVBAGLBSA-N 2 2 277.332 -0.694 20 0 CBADLP C[C@@H](C[NH2+]Cc1cnns1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001420401855 907141872 /nfs/dbraw/zinc/14/18/72/907141872.db2.gz BJEQDFQASROECL-ONGXEEELSA-N 2 2 299.400 -0.537 20 0 CBADLP C[C@@H](C[NH2+]Cc1cnns1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001420401855 907141876 /nfs/dbraw/zinc/14/18/76/907141876.db2.gz BJEQDFQASROECL-ONGXEEELSA-N 2 2 299.400 -0.537 20 0 CBADLP CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)Cc1cnnn1C ZINC001420448601 907165624 /nfs/dbraw/zinc/16/56/24/907165624.db2.gz OWFRBLDBSZJKRW-GFCCVEGCSA-N 2 2 294.403 -0.295 20 0 CBADLP CC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)Cc1cnnn1C ZINC001420448601 907165633 /nfs/dbraw/zinc/16/56/33/907165633.db2.gz OWFRBLDBSZJKRW-GFCCVEGCSA-N 2 2 294.403 -0.295 20 0 CBADLP CC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)Cc1cnnn1C ZINC001420448601 907165645 /nfs/dbraw/zinc/16/56/45/907165645.db2.gz OWFRBLDBSZJKRW-GFCCVEGCSA-N 2 2 294.403 -0.295 20 0 CBADLP CC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)Cc1cnnn1C ZINC001420448601 907165655 /nfs/dbraw/zinc/16/56/55/907165655.db2.gz OWFRBLDBSZJKRW-GFCCVEGCSA-N 2 2 294.403 -0.295 20 0 CBADLP C[C@@H](C[NH2+][C@@H]1CCCN(C)C1=O)NC(=O)Cc1c[nH]c[nH+]1 ZINC001420482959 907178749 /nfs/dbraw/zinc/17/87/49/907178749.db2.gz RLRUYDWAJRXJOS-CMPLNLGQSA-N 2 2 293.371 -0.333 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C[NH2+][C@@H]1CCCNC1=O ZINC001420503592 907188642 /nfs/dbraw/zinc/18/86/42/907188642.db2.gz UXOWHFYIJKFSBN-GXSJLCMTSA-N 2 2 293.371 -0.366 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001420745074 907294402 /nfs/dbraw/zinc/29/44/02/907294402.db2.gz RGFLZWJQHMEPMU-SNVBAGLBSA-N 2 2 281.360 -0.557 20 0 CBADLP C[C@H]([NH2+]C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)C1CC1)C(N)=O ZINC001420772417 907297468 /nfs/dbraw/zinc/29/74/68/907297468.db2.gz QKNOCFZMMVMADM-GZMMTYOYSA-N 2 2 279.344 -0.690 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+]1CC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001420831458 907318433 /nfs/dbraw/zinc/31/84/33/907318433.db2.gz FFAUPEXAKFVWSU-AAEUAGOBSA-N 2 2 296.415 -0.204 20 0 CBADLP CNC(=O)[C@H](C)[N@H+]1CC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001420831458 907318451 /nfs/dbraw/zinc/31/84/51/907318451.db2.gz FFAUPEXAKFVWSU-AAEUAGOBSA-N 2 2 296.415 -0.204 20 0 CBADLP CNC(=O)[C@H](C)[NH+]1CC[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001420831458 907318470 /nfs/dbraw/zinc/31/84/70/907318470.db2.gz FFAUPEXAKFVWSU-AAEUAGOBSA-N 2 2 296.415 -0.204 20 0 CBADLP CNC(=O)[C@H](C)[NH+]1CC[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001420831458 907318489 /nfs/dbraw/zinc/31/84/89/907318489.db2.gz FFAUPEXAKFVWSU-AAEUAGOBSA-N 2 2 296.415 -0.204 20 0 CBADLP C[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+]1CCNC(=O)C1CC1 ZINC001420864000 907330451 /nfs/dbraw/zinc/33/04/51/907330451.db2.gz BDWSKQDQKIOKHD-CYBMUJFWSA-N 2 2 296.415 -0.345 20 0 CBADLP C[NH+](C)CCC(=O)NC[C@H]1CC[N@H+]1CCNC(=O)C1CC1 ZINC001420864000 907330473 /nfs/dbraw/zinc/33/04/73/907330473.db2.gz BDWSKQDQKIOKHD-CYBMUJFWSA-N 2 2 296.415 -0.345 20 0 CBADLP NC(=O)C[N@@H+]1CC[C@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001420887677 907334712 /nfs/dbraw/zinc/33/47/12/907334712.db2.gz NNWDKYFNWHQMAL-NSHDSACASA-N 2 2 279.344 -0.803 20 0 CBADLP NC(=O)C[N@H+]1CC[C@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001420887677 907334725 /nfs/dbraw/zinc/33/47/25/907334725.db2.gz NNWDKYFNWHQMAL-NSHDSACASA-N 2 2 279.344 -0.803 20 0 CBADLP O=C(CCn1cc[nH+]c1)NCC1([NH2+][C@@H]2CCNC2=O)CC1 ZINC001420971211 907373852 /nfs/dbraw/zinc/37/38/52/907373852.db2.gz AWUFPSNITQZSDO-LLVKDONJSA-N 2 2 291.355 -0.600 20 0 CBADLP COC[C@H](O)C[NH+]1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001421050706 907407400 /nfs/dbraw/zinc/40/74/00/907407400.db2.gz KLCVIRKSOPXUDY-OLZOCXBDSA-N 2 2 285.388 -0.770 20 0 CBADLP COC[C@H](O)C[NH+]1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001421050706 907407412 /nfs/dbraw/zinc/40/74/12/907407412.db2.gz KLCVIRKSOPXUDY-OLZOCXBDSA-N 2 2 285.388 -0.770 20 0 CBADLP CC[N@H+](C)CCC(=O)NCC1C[NH+](CC(=O)N(C)C)C1 ZINC001421163622 907449058 /nfs/dbraw/zinc/44/90/58/907449058.db2.gz BQLHCSZFTQZVNL-UHFFFAOYSA-N 2 2 284.404 -0.536 20 0 CBADLP CC[N@@H+](C)CCC(=O)NCC1C[NH+](CC(=O)N(C)C)C1 ZINC001421163622 907449069 /nfs/dbraw/zinc/44/90/69/907449069.db2.gz BQLHCSZFTQZVNL-UHFFFAOYSA-N 2 2 284.404 -0.536 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CC(CNC(=O)CCC[NH+](C)C)C1 ZINC001421172521 907452519 /nfs/dbraw/zinc/45/25/19/907452519.db2.gz MSUCFDJUFUFGPN-SNVBAGLBSA-N 2 2 270.377 -0.750 20 0 CBADLP CC[C@@H](C(=O)N[C@@H]1CC[N@@H+]([C@H](C)C(N)=O)C1)[NH+](C)C ZINC001421271369 907479387 /nfs/dbraw/zinc/47/93/87/907479387.db2.gz OAAXUDPXACKAHR-MXWKQRLJSA-N 2 2 270.377 -0.609 20 0 CBADLP CC[C@@H](C(=O)N[C@@H]1CC[N@H+]([C@H](C)C(N)=O)C1)[NH+](C)C ZINC001421271369 907479393 /nfs/dbraw/zinc/47/93/93/907479393.db2.gz OAAXUDPXACKAHR-MXWKQRLJSA-N 2 2 270.377 -0.609 20 0 CBADLP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001421451451 907549899 /nfs/dbraw/zinc/54/98/99/907549899.db2.gz BDSOIDCYBOIKBI-GFCCVEGCSA-N 2 2 285.388 -0.984 20 0 CBADLP C[N@H+]1CCCC[C@@H]1C(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001421451451 907549904 /nfs/dbraw/zinc/54/99/04/907549904.db2.gz BDSOIDCYBOIKBI-GFCCVEGCSA-N 2 2 285.388 -0.984 20 0 CBADLP CC(C)(C(=O)NCC1(O)C[NH+](CCCO)C1)[NH+]1CCCC1 ZINC001421466890 907555818 /nfs/dbraw/zinc/55/58/18/907555818.db2.gz YILDUCRWPOESNN-UHFFFAOYSA-N 2 2 299.415 -0.594 20 0 CBADLP C[C@@H](O)C[NH+]1CC(O)(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001421482710 907563005 /nfs/dbraw/zinc/56/30/05/907563005.db2.gz OQXSEGKHZALSOB-GFCCVEGCSA-N 2 2 299.415 -0.738 20 0 CBADLP COC[C@H](C)[NH+]1CC(O)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001421484431 907565251 /nfs/dbraw/zinc/56/52/51/907565251.db2.gz ZDLQLNFRYVDVEH-LBPRGKRZSA-N 2 2 299.415 -0.474 20 0 CBADLP COC[C@H](O)C[NH2+]C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001421650019 907598981 /nfs/dbraw/zinc/59/89/81/907598981.db2.gz FOMZBKCQGBEMRL-CHWSQXEVSA-N 2 2 296.371 -0.529 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NCC1([NH2+]CC(N)=O)CCC1 ZINC001421789378 907645082 /nfs/dbraw/zinc/64/50/82/907645082.db2.gz FJQVCLVATFICDL-UHFFFAOYSA-N 2 2 279.344 -0.924 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001421953184 907692331 /nfs/dbraw/zinc/69/23/31/907692331.db2.gz FWRSIVYJXRMASV-ZJUUUORDSA-N 2 2 281.360 -0.477 20 0 CBADLP C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)Cc1c[nH+]cn1C)C(N)=O ZINC001421999506 907701747 /nfs/dbraw/zinc/70/17/47/907701747.db2.gz WBRXTJYAQYKQAV-VHSXEESVSA-N 2 2 281.360 -0.727 20 0 CBADLP CNC(=O)C[NH2+][C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC001422057269 907710726 /nfs/dbraw/zinc/71/07/26/907710726.db2.gz XHOQTBKVQYOVFN-CABZTGNLSA-N 2 2 293.371 -0.557 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)NC1(CO)CC[NH+](CCF)CC1 ZINC001422200496 907744917 /nfs/dbraw/zinc/74/49/17/907744917.db2.gz YWROWFRXXJVOPD-GFCCVEGCSA-N 2 2 287.379 -0.007 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)NC1(CO)CC[NH+](CCF)CC1 ZINC001422200496 907744921 /nfs/dbraw/zinc/74/49/21/907744921.db2.gz YWROWFRXXJVOPD-GFCCVEGCSA-N 2 2 287.379 -0.007 20 0 CBADLP CN(CC[N@H+](C)CC(N)=O)C(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001422213621 907746331 /nfs/dbraw/zinc/74/63/31/907746331.db2.gz JTZSWIWUOHMKSD-STQMWFEESA-N 2 2 296.415 -0.121 20 0 CBADLP CN(CC[N@@H+](C)CC(N)=O)C(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001422213621 907746338 /nfs/dbraw/zinc/74/63/38/907746338.db2.gz JTZSWIWUOHMKSD-STQMWFEESA-N 2 2 296.415 -0.121 20 0 CBADLP CN(CC[NH+](C)CC(N)=O)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001422213621 907746348 /nfs/dbraw/zinc/74/63/48/907746348.db2.gz JTZSWIWUOHMKSD-STQMWFEESA-N 2 2 296.415 -0.121 20 0 CBADLP CN(CC[NH+](C)CC(N)=O)C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001422213621 907746352 /nfs/dbraw/zinc/74/63/52/907746352.db2.gz JTZSWIWUOHMKSD-STQMWFEESA-N 2 2 296.415 -0.121 20 0 CBADLP CN(CC[N@H+](C)CC(N)=O)C(=O)CC[NH+]1CCCCC1 ZINC001422235788 907753501 /nfs/dbraw/zinc/75/35/01/907753501.db2.gz VBBFFMOBZRVRJR-UHFFFAOYSA-N 2 2 284.404 -0.262 20 0 CBADLP CN(CC[N@@H+](C)CC(N)=O)C(=O)CC[NH+]1CCCCC1 ZINC001422235788 907753511 /nfs/dbraw/zinc/75/35/11/907753511.db2.gz VBBFFMOBZRVRJR-UHFFFAOYSA-N 2 2 284.404 -0.262 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](CNS(C)(=O)=O)C1 ZINC001422217716 907754828 /nfs/dbraw/zinc/75/48/28/907754828.db2.gz ZCTUGPYEBHVVMY-RYUDHWBXSA-N 2 2 293.433 -0.830 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](CNS(C)(=O)=O)C1 ZINC001422217716 907754841 /nfs/dbraw/zinc/75/48/41/907754841.db2.gz ZCTUGPYEBHVVMY-RYUDHWBXSA-N 2 2 293.433 -0.830 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](CNS(C)(=O)=O)C1 ZINC001422217716 907754858 /nfs/dbraw/zinc/75/48/58/907754858.db2.gz ZCTUGPYEBHVVMY-RYUDHWBXSA-N 2 2 293.433 -0.830 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](CNS(C)(=O)=O)C1 ZINC001422217716 907754868 /nfs/dbraw/zinc/75/48/68/907754868.db2.gz ZCTUGPYEBHVVMY-RYUDHWBXSA-N 2 2 293.433 -0.830 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@H]1C[N@H+](C)CCO ZINC001422244405 907759847 /nfs/dbraw/zinc/75/98/47/907759847.db2.gz HUGSZPPPZTWRTO-LBPRGKRZSA-N 2 2 280.372 -0.122 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@H]1C[N@@H+](C)CCO ZINC001422244405 907759854 /nfs/dbraw/zinc/75/98/54/907759854.db2.gz HUGSZPPPZTWRTO-LBPRGKRZSA-N 2 2 280.372 -0.122 20 0 CBADLP CCNC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001422329518 907800618 /nfs/dbraw/zinc/80/06/18/907800618.db2.gz QXTBVUTWYSTOSP-QWRGUYRKSA-N 2 2 295.387 -0.039 20 0 CBADLP CCNC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001422329518 907800634 /nfs/dbraw/zinc/80/06/34/907800634.db2.gz QXTBVUTWYSTOSP-QWRGUYRKSA-N 2 2 295.387 -0.039 20 0 CBADLP Cc1cc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CCC[N@H+]2C)no1 ZINC001422350759 907814813 /nfs/dbraw/zinc/81/48/13/907814813.db2.gz LPMIWGLWONBVKM-QWHCGFSZSA-N 2 2 296.371 -0.356 20 0 CBADLP Cc1cc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CCC[N@@H+]2C)no1 ZINC001422350759 907814826 /nfs/dbraw/zinc/81/48/26/907814826.db2.gz LPMIWGLWONBVKM-QWHCGFSZSA-N 2 2 296.371 -0.356 20 0 CBADLP C[C@H](NC(=O)CCn1cc[nH+]c1)[C@H](C)[NH2+]CC(=O)N(C)C ZINC001422364369 907827909 /nfs/dbraw/zinc/82/79/09/907827909.db2.gz HWALDBLIRAHNSK-RYUDHWBXSA-N 2 2 295.387 -0.156 20 0 CBADLP CC[C@H](C(N)=O)[N@H+](C)CCCN(C)C(=O)Cn1cc[nH+]c1 ZINC001502403199 921355969 /nfs/dbraw/zinc/35/59/69/921355969.db2.gz IQFQLLGQLOLBCL-GFCCVEGCSA-N 2 2 295.387 -0.073 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+](C)CCCN(C)C(=O)Cn1cc[nH+]c1 ZINC001502403199 921355978 /nfs/dbraw/zinc/35/59/78/921355978.db2.gz IQFQLLGQLOLBCL-GFCCVEGCSA-N 2 2 295.387 -0.073 20 0 CBADLP CO[C@H](C)C[NH2+]C[C@@H](O)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001422389285 907840391 /nfs/dbraw/zinc/84/03/91/907840391.db2.gz IHRQVXYTJFSDAK-MWLCHTKSSA-N 2 2 284.360 -0.638 20 0 CBADLP CC1CC(C[NH2+]C[C@@H](O)CNC(=O)Cn2cc[nH+]c2)C1 ZINC001422400987 907845151 /nfs/dbraw/zinc/84/51/51/907845151.db2.gz FSGVQIHLGJTJMP-WXRRBKDZSA-N 2 2 280.372 -0.004 20 0 CBADLP C[C@@H](CC[NH2+][C@@H](C)C(N)=O)NC(=O)Cc1c[nH+]cn1C ZINC001422438063 907857072 /nfs/dbraw/zinc/85/70/72/907857072.db2.gz KWEHLLNLUWKNPC-UWVGGRQHSA-N 2 2 281.360 -0.679 20 0 CBADLP C[C@H](C[NH2+]Cc1cncn1C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001422473617 907877132 /nfs/dbraw/zinc/87/71/32/907877132.db2.gz BOYLDNVKFSASMO-DGCLKSJQSA-N 2 2 295.387 -0.655 20 0 CBADLP C[C@H](C[NH2+]Cc1cncn1C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001422473617 907877147 /nfs/dbraw/zinc/87/71/47/907877147.db2.gz BOYLDNVKFSASMO-DGCLKSJQSA-N 2 2 295.387 -0.655 20 0 CBADLP CC[C@H](C)NC(=O)C[NH2+]C[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001422573523 907930308 /nfs/dbraw/zinc/93/03/08/907930308.db2.gz VOIAIVRVEBTSRN-WDEREUQCSA-N 2 2 295.387 -0.039 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)C[NH2+]CC(=O)N1CCC1 ZINC001422603102 907939872 /nfs/dbraw/zinc/93/98/72/907939872.db2.gz SMRLPQQHWNGAOE-SNVBAGLBSA-N 2 2 293.371 -0.413 20 0 CBADLP C[C@H](C[NH2+][C@H]1CCCN(C)C1=O)NC(=O)Cn1cc[nH+]c1 ZINC001422615812 907944059 /nfs/dbraw/zinc/94/40/59/907944059.db2.gz HWIKTPSOVZGODV-NEPJUHHUSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@H](C[NH2+][C@@H]1CCCN(C)C1=O)NC(=O)Cn1cc[nH+]c1 ZINC001422615814 907944515 /nfs/dbraw/zinc/94/45/15/907944515.db2.gz HWIKTPSOVZGODV-VXGBXAGGSA-N 2 2 293.371 -0.402 20 0 CBADLP COC[C@@H](O)C[NH+]1CC([C@@H](C)NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001422741193 907990618 /nfs/dbraw/zinc/99/06/18/907990618.db2.gz SYFJNRWUQFNDDC-MFKMUULPSA-N 2 2 296.371 -0.604 20 0 CBADLP CCn1nncc1C[NH2+]C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001422759132 907995932 /nfs/dbraw/zinc/99/59/32/907995932.db2.gz PSNYBZMKCYPUCX-NSHDSACASA-N 2 2 291.359 -0.211 20 0 CBADLP C[N@H+](CC(=O)N[C@@H]1C[NH+](CC(N)=O)CC1(C)C)C1CCC1 ZINC001422797437 908017587 /nfs/dbraw/zinc/01/75/87/908017587.db2.gz OGBDWIUEWPIJCK-GFCCVEGCSA-N 2 2 296.415 -0.217 20 0 CBADLP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CC(N)=O)CC1(C)C)C1CCC1 ZINC001422797437 908017603 /nfs/dbraw/zinc/01/76/03/908017603.db2.gz OGBDWIUEWPIJCK-GFCCVEGCSA-N 2 2 296.415 -0.217 20 0 CBADLP C[NH+](CC(=O)N[C@@H]1C[N@H+](CC(N)=O)CC1(C)C)C1CCC1 ZINC001422797437 908017620 /nfs/dbraw/zinc/01/76/20/908017620.db2.gz OGBDWIUEWPIJCK-GFCCVEGCSA-N 2 2 296.415 -0.217 20 0 CBADLP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CC(N)=O)CC1(C)C)C1CCC1 ZINC001422797437 908017637 /nfs/dbraw/zinc/01/76/37/908017637.db2.gz OGBDWIUEWPIJCK-GFCCVEGCSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@H](O)C[NH2+][C@@]1(CO)CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001502591613 921372633 /nfs/dbraw/zinc/37/26/33/921372633.db2.gz CLNWNMKOWBCOKY-FZMZJTMJSA-N 2 2 296.371 -0.724 20 0 CBADLP NC(=O)Cn1cc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)nn1 ZINC001422843878 908032290 /nfs/dbraw/zinc/03/22/90/908032290.db2.gz JQKQOJMBPMZGGW-MRVPVSSYSA-N 2 2 275.316 -0.866 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001422989817 908070193 /nfs/dbraw/zinc/07/01/93/908070193.db2.gz DTHKGMVOHQTFCP-LBPRGKRZSA-N 2 2 293.371 -0.544 20 0 CBADLP C[C@@H](CN(C)C(=O)CCc1c[nH]c[nH+]1)[NH2+][C@@H]1CCNC1=O ZINC001423081284 908102015 /nfs/dbraw/zinc/10/20/15/908102015.db2.gz SKZHXBOILJYTEA-CMPLNLGQSA-N 2 2 293.371 -0.333 20 0 CBADLP C[C@@H](CN(C)C(=O)CCc1c[nH+]c[nH]1)[NH2+][C@@H]1CCNC1=O ZINC001423081284 908102033 /nfs/dbraw/zinc/10/20/33/908102033.db2.gz SKZHXBOILJYTEA-CMPLNLGQSA-N 2 2 293.371 -0.333 20 0 CBADLP C[N@H+](CC(=O)NC[C@@H]1CC[NH+]1[C@H]1CCNC1=O)C1CCC1 ZINC001423101508 908109631 /nfs/dbraw/zinc/10/96/31/908109631.db2.gz AMNYCQMTFSANJM-STQMWFEESA-N 2 2 294.399 -0.450 20 0 CBADLP C[N@@H+](CC(=O)NC[C@@H]1CC[NH+]1[C@H]1CCNC1=O)C1CCC1 ZINC001423101508 908109641 /nfs/dbraw/zinc/10/96/41/908109641.db2.gz AMNYCQMTFSANJM-STQMWFEESA-N 2 2 294.399 -0.450 20 0 CBADLP C[NH+](CC(=O)NC[C@@H]1CC[N@@H+]1[C@H]1CCNC1=O)C1CCC1 ZINC001423101508 908109648 /nfs/dbraw/zinc/10/96/48/908109648.db2.gz AMNYCQMTFSANJM-STQMWFEESA-N 2 2 294.399 -0.450 20 0 CBADLP C[NH+](CC(=O)NC[C@@H]1CC[N@H+]1[C@H]1CCNC1=O)C1CCC1 ZINC001423101508 908109660 /nfs/dbraw/zinc/10/96/60/908109660.db2.gz AMNYCQMTFSANJM-STQMWFEESA-N 2 2 294.399 -0.450 20 0 CBADLP Cc1ccnc(C[NH2+][C@H](CO)CNC(=O)CC[NH+](C)C)n1 ZINC001423258244 908179158 /nfs/dbraw/zinc/17/91/58/908179158.db2.gz KQXYIWSTCZBDPJ-LBPRGKRZSA-N 2 2 295.387 -0.697 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCC1([NH2+][C@@H]2CCNC2=O)CC1 ZINC001423298416 908194260 /nfs/dbraw/zinc/19/42/60/908194260.db2.gz NQBFHBYAXHCJPV-SNVBAGLBSA-N 2 2 291.355 -0.612 20 0 CBADLP CCNC(=O)C[NH2+][C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001502747891 921388572 /nfs/dbraw/zinc/38/85/72/921388572.db2.gz KOOIGLMBDPCOID-MNOVXSKESA-N 2 2 293.371 -0.475 20 0 CBADLP C[C@H](F)CC[NH2+][C@@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001423308476 908198054 /nfs/dbraw/zinc/19/80/54/908198054.db2.gz JGZUZPZAUASDKS-WDEREUQCSA-N 2 2 272.324 -0.302 20 0 CBADLP CCNC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@@H]1C ZINC001423327302 908205956 /nfs/dbraw/zinc/20/59/56/908205956.db2.gz SLPMSOQOROFIBE-PWSUYJOCSA-N 2 2 293.371 -0.333 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)N1CCC[C@H]1C[NH2+]CC(N)=O ZINC001423493859 908256174 /nfs/dbraw/zinc/25/61/74/908256174.db2.gz XTKKXZKHODWPDR-LBPRGKRZSA-N 2 2 293.371 -0.581 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@]1(C)CC[N@H+](CCCO)C1 ZINC001423581594 908287848 /nfs/dbraw/zinc/28/78/48/908287848.db2.gz HIRNENMQELRNSS-CQSZACIVSA-N 2 2 280.372 -0.074 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@]1(C)CC[N@@H+](CCCO)C1 ZINC001423581594 908287866 /nfs/dbraw/zinc/28/78/66/908287866.db2.gz HIRNENMQELRNSS-CQSZACIVSA-N 2 2 280.372 -0.074 20 0 CBADLP C[C@H](O)CCC[NH+]1CC(O)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001423829944 908349663 /nfs/dbraw/zinc/34/96/63/908349663.db2.gz QHBLXCYBDAQYRS-STQMWFEESA-N 2 2 299.415 -0.596 20 0 CBADLP C[C@H](O)CCC[NH+]1CC(O)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001423829944 908349679 /nfs/dbraw/zinc/34/96/79/908349679.db2.gz QHBLXCYBDAQYRS-STQMWFEESA-N 2 2 299.415 -0.596 20 0 CBADLP CO[C@H](C)C[NH+]1CC(O)(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001423834605 908352511 /nfs/dbraw/zinc/35/25/11/908352511.db2.gz SUWGQOWVDUSZGC-CHWSQXEVSA-N 2 2 299.415 -0.332 20 0 CBADLP CO[C@H](C)C[NH+]1CC(O)(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001423834605 908352529 /nfs/dbraw/zinc/35/25/29/908352529.db2.gz SUWGQOWVDUSZGC-CHWSQXEVSA-N 2 2 299.415 -0.332 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H](C)[C@@H](C[NH2+]CC(N)=O)C1 ZINC001423948195 908378393 /nfs/dbraw/zinc/37/83/93/908378393.db2.gz MKIASGYBDCAKJM-ONGXEEELSA-N 2 2 293.371 -0.570 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CCO[C@H](C[NH2+]C[C@H](C)O)C1 ZINC001424233637 908429419 /nfs/dbraw/zinc/42/94/19/908429419.db2.gz ADEOCRDIBVBWCU-CMPLNLGQSA-N 2 2 296.371 -0.542 20 0 CBADLP COC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001424235153 908429912 /nfs/dbraw/zinc/42/99/12/908429912.db2.gz GDUHCDBZZKWEIQ-VXGBXAGGSA-N 2 2 296.371 -0.196 20 0 CBADLP CC[C@H](C(N)=O)[N@H+](C)CCCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001424331137 908444143 /nfs/dbraw/zinc/44/41/43/908444143.db2.gz YZTUHIFPRDGFNS-LLVKDONJSA-N 2 2 295.387 -0.004 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+](C)CCCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001424331137 908444148 /nfs/dbraw/zinc/44/41/48/908444148.db2.gz YZTUHIFPRDGFNS-LLVKDONJSA-N 2 2 295.387 -0.004 20 0 CBADLP COCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)CC[NH+](C)C)O2 ZINC001424375820 908450322 /nfs/dbraw/zinc/45/03/22/908450322.db2.gz ZUJULBKBFJOFRZ-ZDUSSCGKSA-N 2 2 299.415 -0.066 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@@](CO)([NH2+]CCF)C1 ZINC001424404271 908454291 /nfs/dbraw/zinc/45/42/91/908454291.db2.gz HCDBEXSALUGLSN-CYBMUJFWSA-N 2 2 284.335 -0.135 20 0 CBADLP CC[C@H]([NH2+]CC1CC(NC(=O)Cn2cc[nH+]c2)C1)C(N)=O ZINC001424737300 908494271 /nfs/dbraw/zinc/49/42/71/908494271.db2.gz ZTDVDCFUGPMCHV-MCIGGMRASA-N 2 2 293.371 -0.369 20 0 CBADLP C[C@@H](NC(=O)CCc1c[nH+]cn1C)[C@@H](C)[NH2+]CC(N)=O ZINC001424832330 908512051 /nfs/dbraw/zinc/51/20/51/908512051.db2.gz GUHXMOZMLFDLLW-NXEZZACHSA-N 2 2 281.360 -0.679 20 0 CBADLP C[C@@H]([NH2+]Cc1ncnn1C)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001424864495 908516971 /nfs/dbraw/zinc/51/69/71/908516971.db2.gz QUMIECSDHFXTFE-MNOVXSKESA-N 2 2 291.359 -0.305 20 0 CBADLP CNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001424970689 908540365 /nfs/dbraw/zinc/54/03/65/908540365.db2.gz HYSFCTVJUZZSHC-LBPRGKRZSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001424970689 908540375 /nfs/dbraw/zinc/54/03/75/908540375.db2.gz HYSFCTVJUZZSHC-LBPRGKRZSA-N 2 2 296.415 -0.203 20 0 CBADLP C[C@@H](CNC(=O)CCn1cc[nH+]c1)[N@H+](C)[C@H]1CCNC1=O ZINC001424982664 908542112 /nfs/dbraw/zinc/54/21/12/908542112.db2.gz MDDHVQITKUZJNQ-RYUDHWBXSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@@H](CNC(=O)CCn1cc[nH+]c1)[N@@H+](C)[C@H]1CCNC1=O ZINC001424982664 908542124 /nfs/dbraw/zinc/54/21/24/908542124.db2.gz MDDHVQITKUZJNQ-RYUDHWBXSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)[N@H+](C)[C@H](C)C(N)=O ZINC001425051346 908561386 /nfs/dbraw/zinc/56/13/86/908561386.db2.gz DMWPXJQUUKKTAW-NXEZZACHSA-N 2 2 281.360 -0.727 20 0 CBADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)[N@@H+](C)[C@H](C)C(N)=O ZINC001425051346 908561391 /nfs/dbraw/zinc/56/13/91/908561391.db2.gz DMWPXJQUUKKTAW-NXEZZACHSA-N 2 2 281.360 -0.727 20 0 CBADLP C[N@@H+]1CC[C@H](CC(=O)NC2(CCO)C[NH+](CCCO)C2)C1 ZINC001425131094 908580193 /nfs/dbraw/zinc/58/01/93/908580193.db2.gz CRSKQCHAJJSOAK-CYBMUJFWSA-N 2 2 299.415 -0.736 20 0 CBADLP C[N@H+]1CC[C@H](CC(=O)NC2(CCO)C[NH+](CCCO)C2)C1 ZINC001425131094 908580201 /nfs/dbraw/zinc/58/02/01/908580201.db2.gz CRSKQCHAJJSOAK-CYBMUJFWSA-N 2 2 299.415 -0.736 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC1(CCO)C[NH+](CCCO)C1 ZINC001425138831 908580657 /nfs/dbraw/zinc/58/06/57/908580657.db2.gz FFWJEGQPNFIUMV-UHFFFAOYSA-N 2 2 296.371 -0.873 20 0 CBADLP C[C@H](CN(C)C(=O)CC[NH+](C)C)NC(=O)Cn1cc[nH+]c1 ZINC001425223295 908587337 /nfs/dbraw/zinc/58/73/37/908587337.db2.gz BHVAWYOASSWCGO-GFCCVEGCSA-N 2 2 295.387 -0.202 20 0 CBADLP C[C@@H](CN(C)C(=O)CC[NH+](C)C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001425227904 908587506 /nfs/dbraw/zinc/58/75/06/908587506.db2.gz ILIVYFXDLNZABO-NSHDSACASA-N 2 2 295.387 -0.133 20 0 CBADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(N)=O)CC1(C)C ZINC001425303222 908611595 /nfs/dbraw/zinc/61/15/95/908611595.db2.gz HLYOHPLENPIHDJ-SNVBAGLBSA-N 2 2 270.377 -0.750 20 0 CBADLP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(N)=O)CC1(C)C ZINC001425303222 908611602 /nfs/dbraw/zinc/61/16/02/908611602.db2.gz HLYOHPLENPIHDJ-SNVBAGLBSA-N 2 2 270.377 -0.750 20 0 CBADLP C[C@H](CN(C)C(=O)Cc1[nH]cc[nH+]1)[NH2+][C@H]1CCNC1=O ZINC001425677155 908690876 /nfs/dbraw/zinc/69/08/76/908690876.db2.gz YQVIXONBVSILPN-ZJUUUORDSA-N 2 2 279.344 -0.723 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@@H](CO)[NH2+]Cc1ccns1 ZINC001425849614 908766902 /nfs/dbraw/zinc/76/69/02/908766902.db2.gz PEVQIWVUIZRCIL-JTQLQIEISA-N 2 2 295.368 -0.394 20 0 CBADLP C[C@@H](O)C[NH+]1CC(CCO)(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001506115487 921549467 /nfs/dbraw/zinc/54/94/67/921549467.db2.gz RTKMFMQUDNCZOE-GFCCVEGCSA-N 2 2 299.415 -0.738 20 0 CBADLP COCCn1cc(C[NH2+]CC(=O)N2CC[NH+](C)CC2)cn1 ZINC001434501616 910241072 /nfs/dbraw/zinc/24/10/72/910241072.db2.gz WRLAVFNCSPOUMU-UHFFFAOYSA-N 2 2 295.387 -0.607 20 0 CBADLP NC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001436394251 910436833 /nfs/dbraw/zinc/43/68/33/910436833.db2.gz JVBYKLSLSBFKCE-XYPYZODXSA-N 2 2 279.344 -0.757 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001436403823 910438410 /nfs/dbraw/zinc/43/84/10/910438410.db2.gz XAUHLGVLZCRXBC-MGCOHNPYSA-N 2 2 279.344 -0.770 20 0 CBADLP CNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001436412448 910441996 /nfs/dbraw/zinc/44/19/96/910441996.db2.gz KHANUEBDXRQBKS-NWDGAFQWSA-N 2 2 293.371 -0.496 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CCC[C@H]([NH+](CCO)CCO)C1 ZINC001436457628 910447854 /nfs/dbraw/zinc/44/78/54/910447854.db2.gz CFHBHCJKPPWAQH-ZDUSSCGKSA-N 2 2 296.371 -0.839 20 0 CBADLP CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001436979175 910520441 /nfs/dbraw/zinc/52/04/41/910520441.db2.gz PTILQGKFTLFSCB-TXEJJXNPSA-N 2 2 293.371 -0.354 20 0 CBADLP CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001436971230 910522158 /nfs/dbraw/zinc/52/21/58/910522158.db2.gz ZBYLXQOCKBHQOU-AOOOYVTPSA-N 2 2 279.344 -0.675 20 0 CBADLP CC[C@H]([NH2+][C@@H](C)CNC(=O)CCc1c[nH]c[nH+]1)C(N)=O ZINC001437147613 910563018 /nfs/dbraw/zinc/56/30/18/910563018.db2.gz MTQLSSNDDGXTRF-ONGXEEELSA-N 2 2 281.360 -0.300 20 0 CBADLP CC[C@H]([NH2+][C@@H](C)CNC(=O)CCc1c[nH+]c[nH]1)C(N)=O ZINC001437147613 910563026 /nfs/dbraw/zinc/56/30/26/910563026.db2.gz MTQLSSNDDGXTRF-ONGXEEELSA-N 2 2 281.360 -0.300 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)[NH2+]CCS(C)(=O)=O ZINC001437264986 910602018 /nfs/dbraw/zinc/60/20/18/910602018.db2.gz XWSUAGHIZWGPDD-LLVKDONJSA-N 2 2 293.433 -0.535 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+]CCS(C)(=O)=O ZINC001437264986 910602029 /nfs/dbraw/zinc/60/20/29/910602029.db2.gz XWSUAGHIZWGPDD-LLVKDONJSA-N 2 2 293.433 -0.535 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)[NH2+]CCS(C)(=O)=O ZINC001437264988 910602524 /nfs/dbraw/zinc/60/25/24/910602524.db2.gz XWSUAGHIZWGPDD-NSHDSACASA-N 2 2 293.433 -0.535 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NC[C@H](C)[NH2+]CCS(C)(=O)=O ZINC001437264988 910602509 /nfs/dbraw/zinc/60/25/09/910602509.db2.gz XWSUAGHIZWGPDD-NSHDSACASA-N 2 2 293.433 -0.535 20 0 CBADLP CNC(=O)C[NH2+][C@H]1CCC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001437331591 910614070 /nfs/dbraw/zinc/61/40/70/910614070.db2.gz ODRCACFWKUPQOM-QWRGUYRKSA-N 2 2 293.371 -0.285 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@H](C)CCNC(=O)Cn1cc[nH+]c1 ZINC001437428945 910633784 /nfs/dbraw/zinc/63/37/84/910633784.db2.gz PJYABXUMHRKITD-MNOVXSKESA-N 2 2 281.360 -0.498 20 0 CBADLP CN(C(=O)C[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C)C1CC1 ZINC001437445878 910638844 /nfs/dbraw/zinc/63/88/44/910638844.db2.gz BMFRCIOWLNDTKD-ZDUSSCGKSA-N 2 2 296.415 -0.251 20 0 CBADLP CN(C(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C)C1CC1 ZINC001437445878 910638854 /nfs/dbraw/zinc/63/88/54/910638854.db2.gz BMFRCIOWLNDTKD-ZDUSSCGKSA-N 2 2 296.415 -0.251 20 0 CBADLP CN(C(=O)C[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001437445878 910638866 /nfs/dbraw/zinc/63/88/66/910638866.db2.gz BMFRCIOWLNDTKD-ZDUSSCGKSA-N 2 2 296.415 -0.251 20 0 CBADLP COc1cncc(C[N@H+](C)CCNC(=O)CC[NH+](C)C)n1 ZINC001437515796 910673477 /nfs/dbraw/zinc/67/34/77/910673477.db2.gz LGOYWDYEOXTWHQ-UHFFFAOYSA-N 2 2 295.387 -0.015 20 0 CBADLP COc1cncc(C[N@@H+](C)CCNC(=O)CC[NH+](C)C)n1 ZINC001437515796 910673489 /nfs/dbraw/zinc/67/34/89/910673489.db2.gz LGOYWDYEOXTWHQ-UHFFFAOYSA-N 2 2 295.387 -0.015 20 0 CBADLP CC(C)[C@H](C(=O)NCC[N@H+](C)CC(=O)N1CCC1)[NH+](C)C ZINC001437557418 910684744 /nfs/dbraw/zinc/68/47/44/910684744.db2.gz QWSQDJOIIPORBJ-CQSZACIVSA-N 2 2 298.431 -0.147 20 0 CBADLP CC(C)[C@H](C(=O)NCC[N@@H+](C)CC(=O)N1CCC1)[NH+](C)C ZINC001437557418 910684758 /nfs/dbraw/zinc/68/47/58/910684758.db2.gz QWSQDJOIIPORBJ-CQSZACIVSA-N 2 2 298.431 -0.147 20 0 CBADLP C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C1C[NH+](CC(N)=O)C1 ZINC001506655537 921600793 /nfs/dbraw/zinc/60/07/93/921600793.db2.gz NRTRVKLDHRBBLJ-GHMZBOCLSA-N 2 2 282.388 -0.750 20 0 CBADLP C[C@@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C1C[NH+](CC(N)=O)C1 ZINC001506655537 921600802 /nfs/dbraw/zinc/60/08/02/921600802.db2.gz NRTRVKLDHRBBLJ-GHMZBOCLSA-N 2 2 282.388 -0.750 20 0 CBADLP CCCNC(=O)C[NH+]1CC([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001506651702 921600841 /nfs/dbraw/zinc/60/08/41/921600841.db2.gz WAGLIQQKGOHESX-LBPRGKRZSA-N 2 2 298.431 -0.099 20 0 CBADLP C[C@@H](NC(=O)CC[NH+](C)C)C1C[NH+](Cc2cnnn2C)C1 ZINC001506650697 921601651 /nfs/dbraw/zinc/60/16/51/921601651.db2.gz PKNOCSZGWWCHNS-LLVKDONJSA-N 2 2 294.403 -0.297 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NCC1C[NH+]([C@H](C)C(N)=O)C1 ZINC001438155510 910830529 /nfs/dbraw/zinc/83/05/29/910830529.db2.gz AEOVKNNLTWNTKI-SECBINFHSA-N 2 2 279.344 -0.887 20 0 CBADLP CC[C@@H](C(=O)N[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1)[NH+](C)C ZINC001438198279 910841727 /nfs/dbraw/zinc/84/17/27/910841727.db2.gz YSVNFDDPFLJBBH-SDDRHHMPSA-N 2 2 282.388 -0.594 20 0 CBADLP CC[C@@H](C(=O)N[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1)[NH+](C)C ZINC001438198279 910841742 /nfs/dbraw/zinc/84/17/42/910841742.db2.gz YSVNFDDPFLJBBH-SDDRHHMPSA-N 2 2 282.388 -0.594 20 0 CBADLP CC[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CC(=O)N1CCC1 ZINC001438366574 910886683 /nfs/dbraw/zinc/88/66/83/910886683.db2.gz CQGKKPNXWOTSNL-LLVKDONJSA-N 2 2 293.371 -0.331 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C[NH2+]CC(N)=O ZINC001438503326 910908605 /nfs/dbraw/zinc/90/86/05/910908605.db2.gz KOZTWIGWIXMOKK-IVZWLZJFSA-N 2 2 279.344 -0.660 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C[NH2+]CC(N)=O ZINC001438503326 910908616 /nfs/dbraw/zinc/90/86/16/910908616.db2.gz KOZTWIGWIXMOKK-IVZWLZJFSA-N 2 2 279.344 -0.660 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)C[NH2+]CC(=O)N(C)C ZINC001438548990 910918427 /nfs/dbraw/zinc/91/84/27/910918427.db2.gz PMVOHGYVVZVYPC-JTQLQIEISA-N 2 2 295.387 -0.309 20 0 CBADLP C[C@H](O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001506815394 921620506 /nfs/dbraw/zinc/62/05/06/921620506.db2.gz MJAOTXWDGMAYRS-XYJRDEOASA-N 2 2 278.356 -0.373 20 0 CBADLP C[C@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001506815394 921620512 /nfs/dbraw/zinc/62/05/12/921620512.db2.gz MJAOTXWDGMAYRS-XYJRDEOASA-N 2 2 278.356 -0.373 20 0 CBADLP C[C@@H](O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001506815389 921621686 /nfs/dbraw/zinc/62/16/86/921621686.db2.gz MJAOTXWDGMAYRS-JHEVNIALSA-N 2 2 278.356 -0.373 20 0 CBADLP C[C@@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001506815389 921621698 /nfs/dbraw/zinc/62/16/98/921621698.db2.gz MJAOTXWDGMAYRS-JHEVNIALSA-N 2 2 278.356 -0.373 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001438901909 910991322 /nfs/dbraw/zinc/99/13/22/910991322.db2.gz QMTBVUWQKBHUHJ-CYBMUJFWSA-N 2 2 298.431 -0.005 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001438901909 910991334 /nfs/dbraw/zinc/99/13/34/910991334.db2.gz QMTBVUWQKBHUHJ-CYBMUJFWSA-N 2 2 298.431 -0.005 20 0 CBADLP CC(C)NC(=O)C[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001438901909 910991342 /nfs/dbraw/zinc/99/13/42/910991342.db2.gz QMTBVUWQKBHUHJ-CYBMUJFWSA-N 2 2 298.431 -0.005 20 0 CBADLP CC(C)NC(=O)C[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001438901909 910991355 /nfs/dbraw/zinc/99/13/55/910991355.db2.gz QMTBVUWQKBHUHJ-CYBMUJFWSA-N 2 2 298.431 -0.005 20 0 CBADLP C[C@@H](O)C[NH2+]C[C@H](O)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001438996612 911044837 /nfs/dbraw/zinc/04/48/37/911044837.db2.gz GFZNAPWSSROQFY-KOLCDFICSA-N 2 2 292.339 -0.376 20 0 CBADLP CC[C@@H]([NH2+]C[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1)C(N)=O ZINC001439127585 911112559 /nfs/dbraw/zinc/11/25/59/911112559.db2.gz PRDFXSHOHPREKP-MWLCHTKSSA-N 2 2 281.360 -0.300 20 0 CBADLP CC[C@@H]([NH2+]C[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1)C(N)=O ZINC001439127585 911112579 /nfs/dbraw/zinc/11/25/79/911112579.db2.gz PRDFXSHOHPREKP-MWLCHTKSSA-N 2 2 281.360 -0.300 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@H](C)C[NH2+]Cc1nncn1C ZINC001439179626 911130326 /nfs/dbraw/zinc/13/03/26/911130326.db2.gz OREQAIFFNLFDFZ-SNVBAGLBSA-N 2 2 291.359 -0.385 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@H](C)C[NH2+]Cc1cnon1 ZINC001439179055 911130682 /nfs/dbraw/zinc/13/06/82/911130682.db2.gz FPJIATAZKLVTIW-SECBINFHSA-N 2 2 278.316 -0.131 20 0 CBADLP C[C@@H]([NH2+]C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C1CC1)C(N)=O ZINC001439490856 911220770 /nfs/dbraw/zinc/22/07/70/911220770.db2.gz XWHOPZJVADLNFU-PSASIEDQSA-N 2 2 279.344 -0.690 20 0 CBADLP C[C@H](CCC[NH2+]CC(=O)N(C)C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001506940232 921644665 /nfs/dbraw/zinc/64/46/65/921644665.db2.gz DMONOPGHTQDTKL-LLVKDONJSA-N 2 2 295.387 -0.085 20 0 CBADLP CNC(=O)C[NH2+]CCC[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001506950479 921644962 /nfs/dbraw/zinc/64/49/62/921644962.db2.gz HLHBTTIKKQATHN-LLVKDONJSA-N 2 2 281.360 -0.496 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CC[NH+]1CCn1cncn1 ZINC001439569121 911243230 /nfs/dbraw/zinc/24/32/30/911243230.db2.gz GLWMYDSMFQUJPH-ZDUSSCGKSA-N 2 2 294.403 -0.191 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CC[NH+]1CCn1cncn1 ZINC001439569121 911243240 /nfs/dbraw/zinc/24/32/40/911243240.db2.gz GLWMYDSMFQUJPH-ZDUSSCGKSA-N 2 2 294.403 -0.191 20 0 CBADLP CC(C)[NH+](C)CC(=O)NC[C@@H]1CC[N@@H+]1CCn1cncn1 ZINC001439569121 911243253 /nfs/dbraw/zinc/24/32/53/911243253.db2.gz GLWMYDSMFQUJPH-ZDUSSCGKSA-N 2 2 294.403 -0.191 20 0 CBADLP CC(C)[NH+](C)CC(=O)NC[C@@H]1CC[N@H+]1CCn1cncn1 ZINC001439569121 911243267 /nfs/dbraw/zinc/24/32/67/911243267.db2.gz GLWMYDSMFQUJPH-ZDUSSCGKSA-N 2 2 294.403 -0.191 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NC[C@H]1CC[NH+]1CCn1cncn1 ZINC001439569120 911243569 /nfs/dbraw/zinc/24/35/69/911243569.db2.gz GLWMYDSMFQUJPH-CYBMUJFWSA-N 2 2 294.403 -0.191 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NC[C@H]1CC[NH+]1CCn1cncn1 ZINC001439569120 911243585 /nfs/dbraw/zinc/24/35/85/911243585.db2.gz GLWMYDSMFQUJPH-CYBMUJFWSA-N 2 2 294.403 -0.191 20 0 CBADLP CC(C)[NH+](C)CC(=O)NC[C@H]1CC[N@@H+]1CCn1cncn1 ZINC001439569120 911243596 /nfs/dbraw/zinc/24/35/96/911243596.db2.gz GLWMYDSMFQUJPH-CYBMUJFWSA-N 2 2 294.403 -0.191 20 0 CBADLP CC(C)[NH+](C)CC(=O)NC[C@H]1CC[N@H+]1CCn1cncn1 ZINC001439569120 911243612 /nfs/dbraw/zinc/24/36/12/911243612.db2.gz GLWMYDSMFQUJPH-CYBMUJFWSA-N 2 2 294.403 -0.191 20 0 CBADLP Cn1cc(C[NH2+]C2(CNC(=O)[C@@H]3CCC[N@@H+]3C)CC2)nn1 ZINC001439592921 911255579 /nfs/dbraw/zinc/25/55/79/911255579.db2.gz IYHAFARWSSJIQF-LBPRGKRZSA-N 2 2 292.387 -0.352 20 0 CBADLP Cn1cc(C[NH2+]C2(CNC(=O)[C@@H]3CCC[N@H+]3C)CC2)nn1 ZINC001439592921 911255606 /nfs/dbraw/zinc/25/56/06/911255606.db2.gz IYHAFARWSSJIQF-LBPRGKRZSA-N 2 2 292.387 -0.352 20 0 CBADLP NC(=O)C[NH2+]C[C@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC001439783713 911289499 /nfs/dbraw/zinc/28/94/99/911289499.db2.gz DPHQKLSZYYXQRP-LLVKDONJSA-N 2 2 279.344 -0.661 20 0 CBADLP COC[C@@H](C)[N@@H+]1CC[C@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001440031601 911353288 /nfs/dbraw/zinc/35/32/88/911353288.db2.gz KYCWHXPGRDLHOO-OCCSQVGLSA-N 2 2 296.371 -0.529 20 0 CBADLP COC[C@@H](C)[N@H+]1CC[C@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001440031601 911353310 /nfs/dbraw/zinc/35/33/10/911353310.db2.gz KYCWHXPGRDLHOO-OCCSQVGLSA-N 2 2 296.371 -0.529 20 0 CBADLP O=C(C[NH+]1CCCC1)N[C@]1(CO)CCC[N@H+](CCF)C1 ZINC001440187939 911402956 /nfs/dbraw/zinc/40/29/56/911402956.db2.gz CUMQBOLLAXCXDR-CQSZACIVSA-N 2 2 287.379 -0.005 20 0 CBADLP O=C(C[NH+]1CCCC1)N[C@]1(CO)CCC[N@@H+](CCF)C1 ZINC001440187939 911402966 /nfs/dbraw/zinc/40/29/66/911402966.db2.gz CUMQBOLLAXCXDR-CQSZACIVSA-N 2 2 287.379 -0.005 20 0 CBADLP C[NH+](C)CC1(C(=O)N[C@@H]2COC3(C[NH+](CCO)C3)C2)CC1 ZINC001440508102 911462718 /nfs/dbraw/zinc/46/27/18/911462718.db2.gz KHDGHDCJOSBBKO-LBPRGKRZSA-N 2 2 297.399 -0.720 20 0 CBADLP CC[NH2+][C@]1(CO)CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001440558053 911471956 /nfs/dbraw/zinc/47/19/56/911471956.db2.gz MYWOMOVSBCYKHT-CQSZACIVSA-N 2 2 280.372 -0.074 20 0 CBADLP C[C@@H](CCNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]Cc1cnon1 ZINC001440648894 911482847 /nfs/dbraw/zinc/48/28/47/911482847.db2.gz LJEYUFAPGICPMR-CMPLNLGQSA-N 2 2 297.359 -0.615 20 0 CBADLP C[C@@H](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]Cc1cnon1 ZINC001440648894 911482862 /nfs/dbraw/zinc/48/28/62/911482862.db2.gz LJEYUFAPGICPMR-CMPLNLGQSA-N 2 2 297.359 -0.615 20 0 CBADLP C[C@@H](CCNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@H]1CCCNC1=O ZINC001440671625 911490957 /nfs/dbraw/zinc/49/09/57/911490957.db2.gz RKBHVRBCSPHNGO-JQWIXIFHSA-N 2 2 293.371 -0.285 20 0 CBADLP C[C@H]([NH2+]CC1CC(NC(=O)Cn2cc[nH+]c2)C1)C(N)=O ZINC001440763480 911510617 /nfs/dbraw/zinc/51/06/17/911510617.db2.gz QDOTZWHRXWEWLH-WHXUTIOJSA-N 2 2 279.344 -0.759 20 0 CBADLP C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H](C)[NH2+]CC(=O)NC1CC1 ZINC001440838317 911524414 /nfs/dbraw/zinc/52/44/14/911524414.db2.gz RLVKXVNVPHWHEZ-VHSXEESVSA-N 2 2 293.371 -0.286 20 0 CBADLP CCNC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001440847325 911530304 /nfs/dbraw/zinc/53/03/04/911530304.db2.gz GMFDJNSJSAKSEO-WDEREUQCSA-N 2 2 281.360 -0.498 20 0 CBADLP CNC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001440853350 911530536 /nfs/dbraw/zinc/53/05/36/911530536.db2.gz WTSHXJBLKGZUIV-BDAKNGLRSA-N 2 2 281.360 -0.511 20 0 CBADLP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)[NH2+]Cc1cn(C)nn1 ZINC001440857195 911533217 /nfs/dbraw/zinc/53/32/17/911533217.db2.gz XEAMCIFNCGGJFM-WDEREUQCSA-N 2 2 291.359 -0.305 20 0 CBADLP C[C@H](C(N)=O)[N@@H+](C)[C@@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001440956822 911560821 /nfs/dbraw/zinc/56/08/21/911560821.db2.gz JPZGFTXRQBFKGS-WDEREUQCSA-N 2 2 281.360 -0.417 20 0 CBADLP C[C@H](C(N)=O)[N@H+](C)[C@@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001440956822 911560830 /nfs/dbraw/zinc/56/08/30/911560830.db2.gz JPZGFTXRQBFKGS-WDEREUQCSA-N 2 2 281.360 -0.417 20 0 CBADLP Cc1[nH+]ccn1CCCC(=O)NC[C@H](C)[N@H+](C)CC(N)=O ZINC001440987658 911576493 /nfs/dbraw/zinc/57/64/93/911576493.db2.gz ATWRPGRLOBLAHA-NSHDSACASA-N 2 2 295.387 -0.106 20 0 CBADLP Cc1[nH+]ccn1CCCC(=O)NC[C@H](C)[N@@H+](C)CC(N)=O ZINC001440987658 911576503 /nfs/dbraw/zinc/57/65/03/911576503.db2.gz ATWRPGRLOBLAHA-NSHDSACASA-N 2 2 295.387 -0.106 20 0 CBADLP C[C@H](NC(=O)C[NH+]1CCC(C)CC1)C1C[NH+](CC(N)=O)C1 ZINC001441198433 911620983 /nfs/dbraw/zinc/62/09/83/911620983.db2.gz UTMIVRUAWKLDGG-LBPRGKRZSA-N 2 2 296.415 -0.360 20 0 CBADLP CC(C)[C@H](C(=O)N[C@@H](C)C1C[NH+](CC(N)=O)C1)[NH+](C)C ZINC001441183376 911621206 /nfs/dbraw/zinc/62/12/06/911621206.db2.gz SLQCHYJVBTYCER-GXFFZTMASA-N 2 2 284.404 -0.506 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]([NH2+][C@H](C)C(N)=O)C1CC1 ZINC001441270228 911634224 /nfs/dbraw/zinc/63/42/24/911634224.db2.gz SBOYPDKQAZVAGV-BXKDBHETSA-N 2 2 293.371 -0.381 20 0 CBADLP C[C@H]([NH2+][C@@H](CNC(=O)Cn1cc[nH+]c1)C1CC1)C(N)=O ZINC001441294018 911636842 /nfs/dbraw/zinc/63/68/42/911636842.db2.gz HBLVRSHKQVDHPW-ONGXEEELSA-N 2 2 279.344 -0.759 20 0 CBADLP CNC(=O)C[NH2+][C@@H](CNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001441300885 911641616 /nfs/dbraw/zinc/64/16/16/911641616.db2.gz NUSGWUQWAXCRBB-NSHDSACASA-N 2 2 279.344 -0.887 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001441325429 911645094 /nfs/dbraw/zinc/64/50/94/911645094.db2.gz WXGKWDFANJYART-RTCCRHLQSA-N 2 2 291.355 -0.960 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001441325429 911645101 /nfs/dbraw/zinc/64/51/01/911645101.db2.gz WXGKWDFANJYART-RTCCRHLQSA-N 2 2 291.355 -0.960 20 0 CBADLP C[C@H]([NH2+]CCO)[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001441336233 911646175 /nfs/dbraw/zinc/64/61/75/911646175.db2.gz SNNQHVLMTZNLRH-WDEREUQCSA-N 2 2 282.344 -0.850 20 0 CBADLP CN(C)C(=O)C[NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001441415976 911666857 /nfs/dbraw/zinc/66/68/57/911666857.db2.gz LTCJCFZLIBKIKH-XYPYZODXSA-N 2 2 293.371 -0.712 20 0 CBADLP CC(C)NC(=O)C[NH2+][C@@H](C)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001507128013 921684408 /nfs/dbraw/zinc/68/44/08/921684408.db2.gz HUGLBRTURKPDRK-NSHDSACASA-N 2 2 295.387 -0.087 20 0 CBADLP CC(C)NC(=O)C[NH2+][C@H](C)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001507128009 921685401 /nfs/dbraw/zinc/68/54/01/921685401.db2.gz HUGLBRTURKPDRK-LLVKDONJSA-N 2 2 295.387 -0.087 20 0 CBADLP CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001441655723 911724714 /nfs/dbraw/zinc/72/47/14/911724714.db2.gz SNQQCNIGQDPZEK-LLVKDONJSA-N 2 2 295.387 -0.465 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)NC[C@@H](CO)[NH2+]C[C@@H]1CCOC1 ZINC001441703061 911760185 /nfs/dbraw/zinc/76/01/85/911760185.db2.gz GRCZZSYGQNWGNX-AAEUAGOBSA-N 2 2 296.371 -0.555 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)NC[C@@H](CO)[NH2+]C[C@@H]1CCOC1 ZINC001441703061 911760192 /nfs/dbraw/zinc/76/01/92/911760192.db2.gz GRCZZSYGQNWGNX-AAEUAGOBSA-N 2 2 296.371 -0.555 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)NC[C@@H](CO)[NH2+]C[C@H]1CCOC1 ZINC001441703064 911760512 /nfs/dbraw/zinc/76/05/12/911760512.db2.gz GRCZZSYGQNWGNX-YPMHNXCESA-N 2 2 296.371 -0.555 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)NC[C@@H](CO)[NH2+]C[C@H]1CCOC1 ZINC001441703064 911760519 /nfs/dbraw/zinc/76/05/19/911760519.db2.gz GRCZZSYGQNWGNX-YPMHNXCESA-N 2 2 296.371 -0.555 20 0 CBADLP CC[C@H]([NH2+][C@@H](C)CN(C)C(=O)Cc1[nH]c[nH+]c1C)C(N)=O ZINC001507146346 921689594 /nfs/dbraw/zinc/68/95/94/921689594.db2.gz DMOIKPCVFPXIEJ-ONGXEEELSA-N 2 2 295.387 -0.039 20 0 CBADLP CNC(=O)C[NH2+][C@H](C)CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001507150245 921692463 /nfs/dbraw/zinc/69/24/63/921692463.db2.gz XUOZOAASPFQLBB-SECBINFHSA-N 2 2 281.360 -0.557 20 0 CBADLP C[C@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+][C@@H](C)C(=O)N(C)C ZINC001441857756 911835611 /nfs/dbraw/zinc/83/56/11/911835611.db2.gz MHBZZFLXEJJXCC-MNOVXSKESA-N 2 2 295.387 -0.087 20 0 CBADLP C[C@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH2+][C@@H](C)C(=O)N(C)C ZINC001441857756 911835630 /nfs/dbraw/zinc/83/56/30/911835630.db2.gz MHBZZFLXEJJXCC-MNOVXSKESA-N 2 2 295.387 -0.087 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)[NH2+]CC(N)=O ZINC001441873209 911840034 /nfs/dbraw/zinc/84/00/34/911840034.db2.gz LUNWIRCPOHLAMP-UWVGGRQHSA-N 2 2 279.344 -0.975 20 0 CBADLP NC(=O)C[NH2+]C[C@@H]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001441897478 911843422 /nfs/dbraw/zinc/84/34/22/911843422.db2.gz SHCLEZWPAYDTQU-NEPJUHHUSA-N 2 2 293.371 -0.367 20 0 CBADLP NC(=O)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001441897499 911846566 /nfs/dbraw/zinc/84/65/66/911846566.db2.gz SHCLEZWPAYDTQU-VXGBXAGGSA-N 2 2 293.371 -0.367 20 0 CBADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@H]1CCN(C)C1=O ZINC001441960282 911866888 /nfs/dbraw/zinc/86/68/88/911866888.db2.gz AIEFEJKDIRUIBU-KOLCDFICSA-N 2 2 279.344 -0.723 20 0 CBADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@@H]1CCN(C)C1=O ZINC001441960274 911867254 /nfs/dbraw/zinc/86/72/54/911867254.db2.gz AIEFEJKDIRUIBU-GXSJLCMTSA-N 2 2 279.344 -0.723 20 0 CBADLP CCN(C)C(=O)C[NH2+][C@@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001442023902 911897822 /nfs/dbraw/zinc/89/78/22/911897822.db2.gz SKVODFJZDKUJCS-JTQLQIEISA-N 2 2 295.387 -0.167 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@@H](O)C[NH2+]C[C@@H](C)O ZINC001442025699 911898515 /nfs/dbraw/zinc/89/85/15/911898515.db2.gz SVOPZZXVEWUNJC-KOLCDFICSA-N 2 2 284.360 -0.950 20 0 CBADLP CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001442145343 911938131 /nfs/dbraw/zinc/93/81/31/911938131.db2.gz GNEFGWLPBGTTRM-LLVKDONJSA-N 2 2 279.344 -0.933 20 0 CBADLP C[C@H]([NH2+]C[C@@H](NC(=O)Cn1cc[nH+]c1)C(C)(C)C)C(N)=O ZINC001442170034 911941712 /nfs/dbraw/zinc/94/17/12/911941712.db2.gz FKNQBYHSEYBLNB-WDEREUQCSA-N 2 2 295.387 -0.123 20 0 CBADLP CN(C(=O)CCn1cc[nH+]c1)C1CC([NH2+]CC(N)=O)C1 ZINC001442237111 911957411 /nfs/dbraw/zinc/95/74/11/911957411.db2.gz PSOQSRHZHREHDW-UHFFFAOYSA-N 2 2 279.344 -0.663 20 0 CBADLP Cc1cn(C(C)(C)C(=O)NCC[C@@H](C)[NH2+]CC(N)=O)c[nH+]1 ZINC001442256156 911960250 /nfs/dbraw/zinc/96/02/50/911960250.db2.gz KSIJHUOMYWNZIO-SNVBAGLBSA-N 2 2 295.387 -0.104 20 0 CBADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)CC(=O)N(C)C ZINC001442407541 912005832 /nfs/dbraw/zinc/00/58/32/912005832.db2.gz FFUXMQYIKPGJLB-CYBMUJFWSA-N 2 2 298.431 -0.003 20 0 CBADLP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)CC(=O)N(C)C ZINC001442407541 912005848 /nfs/dbraw/zinc/00/58/48/912005848.db2.gz FFUXMQYIKPGJLB-CYBMUJFWSA-N 2 2 298.431 -0.003 20 0 CBADLP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@H+](C)CC(=O)N(C)C ZINC001442407541 912005865 /nfs/dbraw/zinc/00/58/65/912005865.db2.gz FFUXMQYIKPGJLB-CYBMUJFWSA-N 2 2 298.431 -0.003 20 0 CBADLP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@@H+](C)CC(=O)N(C)C ZINC001442407541 912005878 /nfs/dbraw/zinc/00/58/78/912005878.db2.gz FFUXMQYIKPGJLB-CYBMUJFWSA-N 2 2 298.431 -0.003 20 0 CBADLP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)[C@@H]1CCNC1=O ZINC001442413701 912010558 /nfs/dbraw/zinc/01/05/58/912010558.db2.gz YDVSENVUGYDVAG-OLZOCXBDSA-N 2 2 296.415 -0.203 20 0 CBADLP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)[C@@H]1CCNC1=O ZINC001442413701 912010571 /nfs/dbraw/zinc/01/05/71/912010571.db2.gz YDVSENVUGYDVAG-OLZOCXBDSA-N 2 2 296.415 -0.203 20 0 CBADLP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)[C@@H]1CCNC1=O ZINC001442413701 912010581 /nfs/dbraw/zinc/01/05/81/912010581.db2.gz YDVSENVUGYDVAG-OLZOCXBDSA-N 2 2 296.415 -0.203 20 0 CBADLP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)[C@@H]1CCNC1=O ZINC001442413701 912010592 /nfs/dbraw/zinc/01/05/92/912010592.db2.gz YDVSENVUGYDVAG-OLZOCXBDSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[N@H+](C)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001442509693 912034259 /nfs/dbraw/zinc/03/42/59/912034259.db2.gz SRSWAVLHSXCROE-UHFFFAOYSA-N 2 2 270.377 -0.878 20 0 CBADLP CNC(=O)C[N@@H+](C)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001442509693 912034278 /nfs/dbraw/zinc/03/42/78/912034278.db2.gz SRSWAVLHSXCROE-UHFFFAOYSA-N 2 2 270.377 -0.878 20 0 CBADLP C[C@@H](O)C[N@@H+]1CCC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001442810441 912109229 /nfs/dbraw/zinc/10/92/29/912109229.db2.gz NNIXRUNUMWFZHX-NEPJUHHUSA-N 2 2 280.372 -0.076 20 0 CBADLP C[C@@H](O)C[N@H+]1CCC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001442810441 912109238 /nfs/dbraw/zinc/10/92/38/912109238.db2.gz NNIXRUNUMWFZHX-NEPJUHHUSA-N 2 2 280.372 -0.076 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1CCC[N@@H+]1[C@@H]1CCNC1=O ZINC001442849211 912112370 /nfs/dbraw/zinc/11/23/70/912112370.db2.gz QQBAHDUKNPDHRS-NWDGAFQWSA-N 2 2 291.355 -0.648 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1CCC[N@H+]1[C@@H]1CCNC1=O ZINC001442849211 912112376 /nfs/dbraw/zinc/11/23/76/912112376.db2.gz QQBAHDUKNPDHRS-NWDGAFQWSA-N 2 2 291.355 -0.648 20 0 CBADLP C[C@H](O)C[N@@H+]1CC[C@@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001442909520 912122440 /nfs/dbraw/zinc/12/24/40/912122440.db2.gz VJAJVQAFWVAJGE-RYUDHWBXSA-N 2 2 280.372 -0.219 20 0 CBADLP C[C@H](O)C[N@H+]1CC[C@@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001442909520 912122449 /nfs/dbraw/zinc/12/24/49/912122449.db2.gz VJAJVQAFWVAJGE-RYUDHWBXSA-N 2 2 280.372 -0.219 20 0 CBADLP CCC[N@H+](CCNC(=O)Cn1cc[nH+]c1)[C@H](C)C(=O)NC ZINC001442967889 912134753 /nfs/dbraw/zinc/13/47/53/912134753.db2.gz MYJYEGOBQYJCCF-GFCCVEGCSA-N 2 2 295.387 -0.154 20 0 CBADLP CCC[N@@H+](CCNC(=O)Cn1cc[nH+]c1)[C@H](C)C(=O)NC ZINC001442967889 912134770 /nfs/dbraw/zinc/13/47/70/912134770.db2.gz MYJYEGOBQYJCCF-GFCCVEGCSA-N 2 2 295.387 -0.154 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001443098052 912157585 /nfs/dbraw/zinc/15/75/85/912157585.db2.gz IAESYBUMXJLGHV-SNVBAGLBSA-N 2 2 295.387 -0.130 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001465079307 915035835 /nfs/dbraw/zinc/03/58/35/915035835.db2.gz DJTQEQTZYQYDEB-LBPRGKRZSA-N 2 2 265.361 -0.446 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC001465079307 915035850 /nfs/dbraw/zinc/03/58/50/915035850.db2.gz DJTQEQTZYQYDEB-LBPRGKRZSA-N 2 2 265.361 -0.446 20 0 CBADLP C[C@H](C(=O)N1CC[N@H+](CCO)C[C@@H]1C)N1CC[NH+](C)CC1 ZINC001468956539 915357958 /nfs/dbraw/zinc/35/79/58/915357958.db2.gz WDTJLWXANVGNRL-UONOGXRCSA-N 2 2 298.431 -0.853 20 0 CBADLP C[C@H](C(=O)N1CC[N@@H+](CCO)C[C@@H]1C)N1CC[NH+](C)CC1 ZINC001468956539 915357977 /nfs/dbraw/zinc/35/79/77/915357977.db2.gz WDTJLWXANVGNRL-UONOGXRCSA-N 2 2 298.431 -0.853 20 0 CBADLP C[C@@H]1CC[N@H+](CC(=O)NC[C@H](CO)[NH2+]Cc2ccon2)C1 ZINC001507234336 921767353 /nfs/dbraw/zinc/76/73/53/921767353.db2.gz XIRCTHODWCTBDW-DGCLKSJQSA-N 2 2 296.371 -0.417 20 0 CBADLP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](CO)[NH2+]Cc2ccon2)C1 ZINC001507234336 921767360 /nfs/dbraw/zinc/76/73/60/921767360.db2.gz XIRCTHODWCTBDW-DGCLKSJQSA-N 2 2 296.371 -0.417 20 0 CBADLP Cn1c[nH+]c(CCNC(=O)NC[C@]2(O)CC[N@@H+](C)C2)c1 ZINC001470445339 915485435 /nfs/dbraw/zinc/48/54/35/915485435.db2.gz JMXVBKJZWLKKOM-CYBMUJFWSA-N 2 2 281.360 -0.672 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H](CO)[NH2+]C/C=C\Cl ZINC001507240855 921776684 /nfs/dbraw/zinc/77/66/84/921776684.db2.gz PSMGRFLMYFGAJI-JWXWKVPASA-N 2 2 272.736 -0.229 20 0 CBADLP COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C[NH2+]C(C)(C)C ZINC001472084208 915690993 /nfs/dbraw/zinc/69/09/93/915690993.db2.gz CPQYIWWCSFZUMD-SNVBAGLBSA-N 2 2 282.344 -0.002 20 0 CBADLP COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C[NH2+]C(C)(C)C ZINC001472084208 915691003 /nfs/dbraw/zinc/69/10/03/915691003.db2.gz CPQYIWWCSFZUMD-SNVBAGLBSA-N 2 2 282.344 -0.002 20 0 CBADLP CC(C)=CC[NH2+][C@@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001507266428 921796237 /nfs/dbraw/zinc/79/62/37/921796237.db2.gz BXKLHANQKNZITK-GFCCVEGCSA-N 2 2 266.345 -0.084 20 0 CBADLP CC[C@@H](C)C[NH2+][C@@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001507267378 921797922 /nfs/dbraw/zinc/79/79/22/921797922.db2.gz NVRLWNLMOCQGOV-VXGBXAGGSA-N 2 2 268.361 -0.004 20 0 CBADLP C[C@H]1C[N@@H+](CCO)CCN1CC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC001473547327 915831567 /nfs/dbraw/zinc/83/15/67/915831567.db2.gz SDSSUUKMYAOOMW-SOUVJXGZSA-N 2 2 283.416 -0.152 20 0 CBADLP C[C@H]1C[NH+](CCO)CCN1CC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC001473547327 915831579 /nfs/dbraw/zinc/83/15/79/915831579.db2.gz SDSSUUKMYAOOMW-SOUVJXGZSA-N 2 2 283.416 -0.152 20 0 CBADLP C[C@H]1C[NH+](CCO)CCN1CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC001473547327 915831587 /nfs/dbraw/zinc/83/15/87/915831587.db2.gz SDSSUUKMYAOOMW-SOUVJXGZSA-N 2 2 283.416 -0.152 20 0 CBADLP C[NH+](C)Cc1cnc(C[NH2+]C[C@@H](O)Cn2ccnn2)s1 ZINC001474173992 915885552 /nfs/dbraw/zinc/88/55/52/915885552.db2.gz HILDPRTYAMGVIW-SNVBAGLBSA-N 2 2 296.400 -0.053 20 0 CBADLP CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001479263322 916104534 /nfs/dbraw/zinc/10/45/34/916104534.db2.gz CXWNKIJPCLPGEE-OLZOCXBDSA-N 2 2 296.415 -0.393 20 0 CBADLP CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001479263322 916104539 /nfs/dbraw/zinc/10/45/39/916104539.db2.gz CXWNKIJPCLPGEE-OLZOCXBDSA-N 2 2 296.415 -0.393 20 0 CBADLP CCNC(=O)C[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001479263322 916104544 /nfs/dbraw/zinc/10/45/44/916104544.db2.gz CXWNKIJPCLPGEE-OLZOCXBDSA-N 2 2 296.415 -0.393 20 0 CBADLP CCNC(=O)C[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001479263322 916104549 /nfs/dbraw/zinc/10/45/49/916104549.db2.gz CXWNKIJPCLPGEE-OLZOCXBDSA-N 2 2 296.415 -0.393 20 0 CBADLP CC[N@H+](C)CCC(=O)N(C)C[C@@H]1CC[NH+]1[C@@H]1CCNC1=O ZINC001479256091 916104876 /nfs/dbraw/zinc/10/48/76/916104876.db2.gz MWJVHKMCPRCJDX-QWHCGFSZSA-N 2 2 296.415 -0.251 20 0 CBADLP CC[N@@H+](C)CCC(=O)N(C)C[C@@H]1CC[NH+]1[C@@H]1CCNC1=O ZINC001479256091 916104879 /nfs/dbraw/zinc/10/48/79/916104879.db2.gz MWJVHKMCPRCJDX-QWHCGFSZSA-N 2 2 296.415 -0.251 20 0 CBADLP CC[NH+](C)CCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@@H]1CCNC1=O ZINC001479256091 916104883 /nfs/dbraw/zinc/10/48/83/916104883.db2.gz MWJVHKMCPRCJDX-QWHCGFSZSA-N 2 2 296.415 -0.251 20 0 CBADLP CC[NH+](C)CCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@@H]1CCNC1=O ZINC001479256091 916104885 /nfs/dbraw/zinc/10/48/85/916104885.db2.gz MWJVHKMCPRCJDX-QWHCGFSZSA-N 2 2 296.415 -0.251 20 0 CBADLP C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)Cn2cc[nH+]c2)C1)C(N)=O ZINC001479345362 916119728 /nfs/dbraw/zinc/11/97/28/916119728.db2.gz CRSDPRRMVKCNIG-GARJFASQSA-N 2 2 279.344 -0.759 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H]1CC[C@@H]([NH2+]CCO)C1 ZINC001479482442 916132276 /nfs/dbraw/zinc/13/22/76/916132276.db2.gz PKLFUNBLIHKUIG-WDEREUQCSA-N 2 2 266.345 -0.181 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@H]1CC[C@@H]([NH2+]CCO)C1 ZINC001479493444 916133660 /nfs/dbraw/zinc/13/36/60/916133660.db2.gz HTJWOTOSZWRYHS-NWDGAFQWSA-N 2 2 266.345 -0.250 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NCCC[N@@H+](C)CC(N)=O ZINC001479812157 916185554 /nfs/dbraw/zinc/18/55/54/916185554.db2.gz HRBYFSWFSBSJQS-UHFFFAOYSA-N 2 2 267.333 -0.885 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NCCC[N@H+](C)CC(N)=O ZINC001479812157 916185563 /nfs/dbraw/zinc/18/55/63/916185563.db2.gz HRBYFSWFSBSJQS-UHFFFAOYSA-N 2 2 267.333 -0.885 20 0 CBADLP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)C1)C(N)=O ZINC001480151072 916307292 /nfs/dbraw/zinc/30/72/92/916307292.db2.gz QGVMXTFBXHOEQC-DCAQKATOSA-N 2 2 279.344 -0.616 20 0 CBADLP CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001480239969 916345601 /nfs/dbraw/zinc/34/56/01/916345601.db2.gz PZLALCRRVVPHMR-PHIMTYICSA-N 2 2 279.344 -0.744 20 0 CBADLP NC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001480331574 916360311 /nfs/dbraw/zinc/36/03/11/916360311.db2.gz MXCXCOACFHKINR-GFCCVEGCSA-N 2 2 282.388 -0.462 20 0 CBADLP NC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001480331574 916360330 /nfs/dbraw/zinc/36/03/30/916360330.db2.gz MXCXCOACFHKINR-GFCCVEGCSA-N 2 2 282.388 -0.462 20 0 CBADLP CNC(=O)C[NH2+][C@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001480473242 916431727 /nfs/dbraw/zinc/43/17/27/916431727.db2.gz DPFCPLHUWZFFIG-SECBINFHSA-N 2 2 267.333 -0.817 20 0 CBADLP CCN(C)C(=O)C[NH2+][C@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001480512374 916445034 /nfs/dbraw/zinc/44/50/34/916445034.db2.gz QPPOIIGKHJYROM-GFCCVEGCSA-N 2 2 295.387 -0.154 20 0 CBADLP CC[C@@H](C)NC(=O)C[NH2+][C@@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001480542076 916463306 /nfs/dbraw/zinc/46/33/06/916463306.db2.gz JKZJICGWLVRAAY-MNOVXSKESA-N 2 2 295.387 -0.039 20 0 CBADLP CCN1CC[C@@H]([NH2+][C@H](C)CNC(=O)Cc2[nH]cc[nH+]2)C1=O ZINC001480561880 916473172 /nfs/dbraw/zinc/47/31/72/916473172.db2.gz NOKFLWKVVMUSSE-GHMZBOCLSA-N 2 2 293.371 -0.333 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC[C@@H](C)[NH2+]Cc1nnnn1C ZINC001480591891 916487920 /nfs/dbraw/zinc/48/79/20/916487920.db2.gz QRNCVFXUEPBBQP-SECBINFHSA-N 2 2 292.347 -0.990 20 0 CBADLP CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001480665719 916514708 /nfs/dbraw/zinc/51/47/08/916514708.db2.gz LTDOCIJGQRJTIR-LLVKDONJSA-N 2 2 293.371 -0.474 20 0 CBADLP Cc1nnc(C[NH2+][C@H](C)CCNC(=O)Cn2cc[nH+]c2)[nH]1 ZINC001480812322 916550549 /nfs/dbraw/zinc/55/05/49/916550549.db2.gz GXQOATNINYHEIP-SNVBAGLBSA-N 2 2 291.359 -0.006 20 0 CBADLP CC(C)NC(=O)C[NH2+][C@H](C)CCNC(=O)Cn1cc[nH+]c1 ZINC001480813211 916551707 /nfs/dbraw/zinc/55/17/07/916551707.db2.gz QUSRFCTXQKRXPL-GFCCVEGCSA-N 2 2 295.387 -0.108 20 0 CBADLP Cc1c(C(=O)NCC[N@@H+](C)CC(N)=O)ccc2c[nH+]cn21 ZINC001480884053 916606299 /nfs/dbraw/zinc/60/62/99/916606299.db2.gz OLPGEBMRRONIQZ-UHFFFAOYSA-N 2 2 289.339 -0.210 20 0 CBADLP Cc1c(C(=O)NCC[N@H+](C)CC(N)=O)ccc2c[nH+]cn21 ZINC001480884053 916606309 /nfs/dbraw/zinc/60/63/09/916606309.db2.gz OLPGEBMRRONIQZ-UHFFFAOYSA-N 2 2 289.339 -0.210 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001481117272 916724369 /nfs/dbraw/zinc/72/43/69/916724369.db2.gz RSMDPHIAJQWYHA-WDEREUQCSA-N 2 2 293.371 -0.346 20 0 CBADLP CC[C@H](C(N)=O)[N@H+]1CC[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001481117272 916724377 /nfs/dbraw/zinc/72/43/77/916724377.db2.gz RSMDPHIAJQWYHA-WDEREUQCSA-N 2 2 293.371 -0.346 20 0 CBADLP CC(C)NC(=O)C[NH2+]CCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001481285062 916802277 /nfs/dbraw/zinc/80/22/77/916802277.db2.gz REJZTLCKLZSVCQ-UHFFFAOYSA-N 2 2 281.360 -0.475 20 0 CBADLP CN(CC[NH2+]CC(=O)NC1CC1)C(=O)Cc1c[nH+]c[nH]1 ZINC001481285168 916812091 /nfs/dbraw/zinc/81/20/91/916812091.db2.gz UBRFSFHJMKGISB-UHFFFAOYSA-N 2 2 279.344 -0.721 20 0 CBADLP NC(=O)C[N@@H+]1CC[C@H](CCNC(=O)CCn2cc[nH+]c2)C1 ZINC001481442588 916837891 /nfs/dbraw/zinc/83/78/91/916837891.db2.gz GCFZRLMXWDHJOY-LBPRGKRZSA-N 2 2 293.371 -0.413 20 0 CBADLP NC(=O)C[N@H+]1CC[C@H](CCNC(=O)CCn2cc[nH+]c2)C1 ZINC001481442588 916837900 /nfs/dbraw/zinc/83/79/00/916837900.db2.gz GCFZRLMXWDHJOY-LBPRGKRZSA-N 2 2 293.371 -0.413 20 0 CBADLP COCC[NH+]1CC(NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001481567635 916887638 /nfs/dbraw/zinc/88/76/38/916887638.db2.gz VKPUEUPIXMESOZ-UHFFFAOYSA-N 2 2 299.415 -0.208 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)C ZINC001481676790 916943331 /nfs/dbraw/zinc/94/33/31/916943331.db2.gz MWZQSXGAELWEFT-VWYCJHECSA-N 2 2 268.361 -0.903 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)C ZINC001481676790 916943340 /nfs/dbraw/zinc/94/33/40/916943340.db2.gz MWZQSXGAELWEFT-VWYCJHECSA-N 2 2 268.361 -0.903 20 0 CBADLP C[NH+]1CCC(CC(=O)NC[C@@H]2C[N@H+](CCO)CCO2)CC1 ZINC001482200688 917090113 /nfs/dbraw/zinc/09/01/13/917090113.db2.gz NFYXCSDQNLTSBS-CQSZACIVSA-N 2 2 299.415 -0.472 20 0 CBADLP C[NH+]1CCC(CC(=O)NC[C@@H]2C[N@@H+](CCO)CCO2)CC1 ZINC001482200688 917090125 /nfs/dbraw/zinc/09/01/25/917090125.db2.gz NFYXCSDQNLTSBS-CQSZACIVSA-N 2 2 299.415 -0.472 20 0 CBADLP CC(C)C[C@@H](C[NH2+][C@@H](C)C(N)=O)NC(=O)Cn1cc[nH+]c1 ZINC001482400317 917142488 /nfs/dbraw/zinc/14/24/88/917142488.db2.gz JMTUCLDPHNHEPC-RYUDHWBXSA-N 2 2 295.387 -0.123 20 0 CBADLP CC(C)C[C@H](C[NH2+][C@@H](C)C(N)=O)NC(=O)Cn1cc[nH+]c1 ZINC001482400316 917143023 /nfs/dbraw/zinc/14/30/23/917143023.db2.gz JMTUCLDPHNHEPC-NWDGAFQWSA-N 2 2 295.387 -0.123 20 0 CBADLP CCNC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001482650323 917197663 /nfs/dbraw/zinc/19/76/63/917197663.db2.gz UZTWLINUZHKMBL-GFCCVEGCSA-N 2 2 284.404 -0.536 20 0 CBADLP CCNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001482650323 917197671 /nfs/dbraw/zinc/19/76/71/917197671.db2.gz UZTWLINUZHKMBL-GFCCVEGCSA-N 2 2 284.404 -0.536 20 0 CBADLP CCNC(=O)C[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001482650323 917197677 /nfs/dbraw/zinc/19/76/77/917197677.db2.gz UZTWLINUZHKMBL-GFCCVEGCSA-N 2 2 284.404 -0.536 20 0 CBADLP CCNC(=O)C[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001482650323 917197684 /nfs/dbraw/zinc/19/76/84/917197684.db2.gz UZTWLINUZHKMBL-GFCCVEGCSA-N 2 2 284.404 -0.536 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CC(N)=O ZINC001482695583 917205084 /nfs/dbraw/zinc/20/50/84/917205084.db2.gz TYOKJDVCDCFFOZ-GHMZBOCLSA-N 2 2 293.371 -0.380 20 0 CBADLP NC(=O)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001482683922 917205590 /nfs/dbraw/zinc/20/55/90/917205590.db2.gz KDTFRWHSHSZPRA-NWDGAFQWSA-N 2 2 293.371 -0.367 20 0 CBADLP Cc1cnc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CCC[N@H+]2C)o1 ZINC001482716304 917221626 /nfs/dbraw/zinc/22/16/26/917221626.db2.gz MMNVZMSCWYMAIX-RYUDHWBXSA-N 2 2 296.371 -0.356 20 0 CBADLP Cc1cnc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CCC[N@@H+]2C)o1 ZINC001482716304 917221643 /nfs/dbraw/zinc/22/16/43/917221643.db2.gz MMNVZMSCWYMAIX-RYUDHWBXSA-N 2 2 296.371 -0.356 20 0 CBADLP CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001482744033 917247203 /nfs/dbraw/zinc/24/72/03/917247203.db2.gz OKGQSONKDLSRJR-MNOVXSKESA-N 2 2 266.345 -0.468 20 0 CBADLP Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)C[NH+]2CCCC2)o1 ZINC001482791945 917288208 /nfs/dbraw/zinc/28/82/08/917288208.db2.gz FMLYCWSZLCAAKN-LLVKDONJSA-N 2 2 297.359 -0.959 20 0 CBADLP C[C@@H](CC[NH2+]CCO)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001482846941 917309484 /nfs/dbraw/zinc/30/94/84/917309484.db2.gz YNAAEBSUQSQTAC-NWDGAFQWSA-N 2 2 280.372 -0.078 20 0 CBADLP C[C@H](CC[NH2+]CCO)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001482846943 917310995 /nfs/dbraw/zinc/31/09/95/917310995.db2.gz YNAAEBSUQSQTAC-VXGBXAGGSA-N 2 2 280.372 -0.078 20 0 CBADLP C[C@H](CC[NH2+][C@@H]1CCN(C)C1=O)NC(=O)Cc1[nH]cc[nH+]1 ZINC001482883328 917322595 /nfs/dbraw/zinc/32/25/95/917322595.db2.gz BYLVLKBLESMNPS-GHMZBOCLSA-N 2 2 293.371 -0.333 20 0 CBADLP C[C@H](O)C[NH2+]CC[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001482890352 917324899 /nfs/dbraw/zinc/32/48/99/917324899.db2.gz PNWSRZBWTWRHPU-QWRGUYRKSA-N 2 2 268.361 -0.172 20 0 CBADLP CCN(CC[NH2+][C@H](C)C(N)=O)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001482963108 917350778 /nfs/dbraw/zinc/35/07/78/917350778.db2.gz GCOKFMXMRUBICR-SNVBAGLBSA-N 2 2 295.387 -0.001 20 0 CBADLP Cn1ncc(C[NH2+]C/C=C\CNC(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001483044930 917385386 /nfs/dbraw/zinc/38/53/86/917385386.db2.gz SWQFDYDHADIVGY-DHCBQETCSA-N 2 2 292.387 -0.329 20 0 CBADLP Cn1ncc(C[NH2+]C/C=C\CNC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001483044930 917385398 /nfs/dbraw/zinc/38/53/98/917385398.db2.gz SWQFDYDHADIVGY-DHCBQETCSA-N 2 2 292.387 -0.329 20 0 CBADLP C[C@@H]([NH2+]C/C=C/CNC(=O)CC[NH+](C)C)c1nnnn1C ZINC001483054242 917391101 /nfs/dbraw/zinc/39/11/01/917391101.db2.gz LRDQEFQOBQGCLX-MVIFTORASA-N 2 2 295.391 -0.515 20 0 CBADLP Cn1ncnc1C[NH2+]C/C=C\CNC(=O)C[NH+]1CCCC1 ZINC001483093108 917405563 /nfs/dbraw/zinc/40/55/63/917405563.db2.gz NKFCPMGTWXAQIN-IHWYPQMZSA-N 2 2 292.387 -0.327 20 0 CBADLP CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001483138122 917430090 /nfs/dbraw/zinc/43/00/90/917430090.db2.gz WWKHJDDTEAFZLE-GMTAPVOTSA-N 2 2 293.371 -0.256 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[NH2+]Cc1nnnn1C ZINC001483249088 917491713 /nfs/dbraw/zinc/49/17/13/917491713.db2.gz SBOWRTXUQUBZCV-VIFPVBQESA-N 2 2 292.347 -0.990 20 0 CBADLP C[C@@H](C[NH2+]CCn1cncn1)NC(=O)CCn1cc[nH+]c1 ZINC001483254003 917494554 /nfs/dbraw/zinc/49/45/54/917494554.db2.gz YVQLBLIHPJWUFN-LBPRGKRZSA-N 2 2 291.359 -0.341 20 0 CBADLP Cc1nnc(C[NH2+]C[C@H](C)NC(=O)CC[NH+](C)C)o1 ZINC001483262161 917499596 /nfs/dbraw/zinc/49/95/96/917499596.db2.gz VBHCYOYOSHRZAD-VIFPVBQESA-N 2 2 269.349 -0.076 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[N@H+](C)CC(N)=O ZINC001483364854 917552576 /nfs/dbraw/zinc/55/25/76/917552576.db2.gz ZQYAPOOSKXCIOY-SECBINFHSA-N 2 2 267.333 -0.887 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[N@@H+](C)CC(N)=O ZINC001483364854 917552582 /nfs/dbraw/zinc/55/25/82/917552582.db2.gz ZQYAPOOSKXCIOY-SECBINFHSA-N 2 2 267.333 -0.887 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)N[C@H](C[NH2+]CCO)C1CC1 ZINC001483602412 917603057 /nfs/dbraw/zinc/60/30/57/917603057.db2.gz QBUDMGRIQHTPDT-CYBMUJFWSA-N 2 2 280.372 -0.171 20 0 CBADLP CN(C)C(=O)C[NH2+]C[C@H](NC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001483590871 917603132 /nfs/dbraw/zinc/60/31/32/917603132.db2.gz WOHUNJVLBQWBSU-LBPRGKRZSA-N 2 2 293.371 -0.475 20 0 CBADLP C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001483675581 917631465 /nfs/dbraw/zinc/63/14/65/917631465.db2.gz FVGSCCQIMIOUGH-STQMWFEESA-N 2 2 298.431 -0.005 20 0 CBADLP C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001483675581 917631472 /nfs/dbraw/zinc/63/14/72/917631472.db2.gz FVGSCCQIMIOUGH-STQMWFEESA-N 2 2 298.431 -0.005 20 0 CBADLP C[C@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001483695872 917641537 /nfs/dbraw/zinc/64/15/37/917641537.db2.gz SQRNUXFFGJICNV-WDEREUQCSA-N 2 2 266.345 -0.466 20 0 CBADLP C[C@H](O)C[N@H+]1CC[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001483695872 917641551 /nfs/dbraw/zinc/64/15/51/917641551.db2.gz SQRNUXFFGJICNV-WDEREUQCSA-N 2 2 266.345 -0.466 20 0 CBADLP C[NH+](C)Cc1cc(C(=O)NCC2([NH2+]CC(N)=O)CC2)no1 ZINC001483745681 917668125 /nfs/dbraw/zinc/66/81/25/917668125.db2.gz DUQWDGRGASXSHG-UHFFFAOYSA-N 2 2 295.343 -0.927 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)NCC1([NH2+]CC(N)=O)CC1 ZINC001483754703 917669402 /nfs/dbraw/zinc/66/94/02/917669402.db2.gz JBQYYVQHHGGTFO-UHFFFAOYSA-N 2 2 279.344 -0.924 20 0 CBADLP C[C@H](O)C[NH2+]C1(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001483796260 917684457 /nfs/dbraw/zinc/68/44/57/917684457.db2.gz DFIILAXXALXYLX-JTQLQIEISA-N 2 2 252.318 -0.498 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]1C[NH2+]CCO ZINC001483953668 917713411 /nfs/dbraw/zinc/71/34/11/917713411.db2.gz LBTUJYREYUUDPU-NSHDSACASA-N 2 2 266.345 -0.166 20 0 CBADLP COCC[N@@H+]1CC[C@@](O)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001484229041 917779251 /nfs/dbraw/zinc/77/92/51/917779251.db2.gz CTKPLQSLPXCXQA-CQSZACIVSA-N 2 2 296.371 -0.527 20 0 CBADLP COCC[N@H+]1CC[C@@](O)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001484229041 917779262 /nfs/dbraw/zinc/77/92/62/917779262.db2.gz CTKPLQSLPXCXQA-CQSZACIVSA-N 2 2 296.371 -0.527 20 0 CBADLP CC(C)[N@@H+]1CC[C@@](O)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001484246114 917786324 /nfs/dbraw/zinc/78/63/24/917786324.db2.gz DWHKXPJDBNSKKT-CQSZACIVSA-N 2 2 280.372 -0.076 20 0 CBADLP CC(C)[N@H+]1CC[C@@](O)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001484246114 917786334 /nfs/dbraw/zinc/78/63/34/917786334.db2.gz DWHKXPJDBNSKKT-CQSZACIVSA-N 2 2 280.372 -0.076 20 0 CBADLP COCCC[NH+]1CC(O)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001484265236 917809594 /nfs/dbraw/zinc/80/95/94/917809594.db2.gz WWRAISPLRDRPLN-LBPRGKRZSA-N 2 2 285.388 -0.720 20 0 CBADLP COCCC[NH+]1CC(O)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001484265236 917809607 /nfs/dbraw/zinc/80/96/07/917809607.db2.gz WWRAISPLRDRPLN-LBPRGKRZSA-N 2 2 285.388 -0.720 20 0 CBADLP CC[C@@H](C[NH+]1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1)OC ZINC001484310483 917830251 /nfs/dbraw/zinc/83/02/51/917830251.db2.gz NNJQDEHTNWJLLP-STQMWFEESA-N 2 2 299.415 -0.474 20 0 CBADLP CC[C@@H](C[NH+]1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1)OC ZINC001484310483 917830263 /nfs/dbraw/zinc/83/02/63/917830263.db2.gz NNJQDEHTNWJLLP-STQMWFEESA-N 2 2 299.415 -0.474 20 0 CBADLP CNC(=O)C[NH2+]CC[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001484555237 917887088 /nfs/dbraw/zinc/88/70/88/917887088.db2.gz YTNCQPXLYJFNBT-LBPRGKRZSA-N 2 2 293.371 -0.543 20 0 CBADLP C[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001484694642 917926079 /nfs/dbraw/zinc/92/60/79/917926079.db2.gz CTNSSFQZRFZJCE-GHMZBOCLSA-N 2 2 282.344 -0.850 20 0 CBADLP C[C@@H](O)C[NH+]1CC2(C1)C[C@@H](NC(=O)CC[NH+](C)C)CO2 ZINC001484801269 917939755 /nfs/dbraw/zinc/93/97/55/917939755.db2.gz NEQNPBKXSCETHU-VXGBXAGGSA-N 2 2 285.388 -0.722 20 0 CBADLP C[C@@H](O)C[NH2+][C@@]1(CO)CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001484851782 917947793 /nfs/dbraw/zinc/94/77/93/917947793.db2.gz UJIJZZWPFMCFOX-RISCZKNCSA-N 2 2 296.371 -0.724 20 0 CBADLP C[C@H](O)C[NH2+][C@]1(CO)CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001484854363 917950852 /nfs/dbraw/zinc/95/08/52/917950852.db2.gz DEOAFZWDHJOBGL-GXTWGEPZSA-N 2 2 296.371 -0.793 20 0 CBADLP C[C@@H](C(N)=O)[N@H+](C)C[C@@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001485070724 917986657 /nfs/dbraw/zinc/98/66/57/917986657.db2.gz ZHEBEAWMNRJOCG-JQWIXIFHSA-N 2 2 293.371 -0.251 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+](C)C[C@@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001485070724 917986667 /nfs/dbraw/zinc/98/66/67/917986667.db2.gz ZHEBEAWMNRJOCG-JQWIXIFHSA-N 2 2 293.371 -0.251 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)[C@H](C)[NH2+]CC(N)=O ZINC001485219781 918034029 /nfs/dbraw/zinc/03/40/29/918034029.db2.gz ZTDMCOFQSIPSIA-JGVFFNPUSA-N 2 2 267.333 -0.771 20 0 CBADLP CC[NH+]1CC(CCO)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001485421630 918117906 /nfs/dbraw/zinc/11/79/06/918117906.db2.gz DOEHNRAPGGCSDI-UHFFFAOYSA-N 2 2 267.373 -0.345 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C1C[NH+](CC(N)=O)C1 ZINC001485539902 918139376 /nfs/dbraw/zinc/13/93/76/918139376.db2.gz PQQYUAAAAUPILG-JTQLQIEISA-N 2 2 270.377 -0.752 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C1C[NH+](CC(N)=O)C1 ZINC001485539902 918139391 /nfs/dbraw/zinc/13/93/91/918139391.db2.gz PQQYUAAAAUPILG-JTQLQIEISA-N 2 2 270.377 -0.752 20 0 CBADLP O=C(CCn1cc[nH+]c1)NC[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001485608855 918153939 /nfs/dbraw/zinc/15/39/39/918153939.db2.gz FVDLNLWVUYOMSS-XYYAHUGASA-N 2 2 278.356 -0.441 20 0 CBADLP O=C(CCn1cc[nH+]c1)NC[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001485608855 918153948 /nfs/dbraw/zinc/15/39/48/918153948.db2.gz FVDLNLWVUYOMSS-XYYAHUGASA-N 2 2 278.356 -0.441 20 0 CBADLP C[C@H]([NH2+]CCCO)[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001485647837 918163011 /nfs/dbraw/zinc/16/30/11/918163011.db2.gz UYODWDKOWJUGFQ-NWDGAFQWSA-N 2 2 296.371 -0.460 20 0 CBADLP CN(C(=O)Cc1[nH]cc[nH+]1)[C@@H](C[NH2+]CCO)C1CC1 ZINC001485830828 918200466 /nfs/dbraw/zinc/20/04/66/918200466.db2.gz NWGOMLQKDIMGRS-NSHDSACASA-N 2 2 266.345 -0.229 20 0 CBADLP C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]CC(N)=O ZINC001485886392 918218403 /nfs/dbraw/zinc/21/84/03/918218403.db2.gz VZVHQCPZUZJHIU-OPRDCNLKSA-N 2 2 279.344 -0.565 20 0 CBADLP CC[C@H]([NH2+][C@@H](C)CN(C)C(=O)Cc1c[nH+]c[nH]1)C(N)=O ZINC001485925107 918230402 /nfs/dbraw/zinc/23/04/02/918230402.db2.gz ADGKWMILZDHKOO-ONGXEEELSA-N 2 2 281.360 -0.347 20 0 CBADLP C[C@@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+][C@@H]1CCN(C)C1=O ZINC001485963510 918245081 /nfs/dbraw/zinc/24/50/81/918245081.db2.gz RLLDRLLQZKMNNQ-NWDGAFQWSA-N 2 2 293.371 -0.450 20 0 CBADLP CCCC[NH2+][C@H](CO)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001486048835 918347373 /nfs/dbraw/zinc/34/73/73/918347373.db2.gz WNMOCPCNJNJFIF-JTQLQIEISA-N 2 2 254.334 -0.181 20 0 CBADLP CN(C[C@H](O)C[NH2+]CCF)C(=O)CCc1c[nH]c[nH+]1 ZINC001486278104 918409230 /nfs/dbraw/zinc/40/92/30/918409230.db2.gz GAWZXRMKWAXVHU-LLVKDONJSA-N 2 2 272.324 -0.279 20 0 CBADLP CN(C[C@H](O)C[NH2+]CCF)C(=O)CCc1c[nH+]c[nH]1 ZINC001486278104 918409235 /nfs/dbraw/zinc/40/92/35/918409235.db2.gz GAWZXRMKWAXVHU-LLVKDONJSA-N 2 2 272.324 -0.279 20 0 CBADLP CN(C[C@H](O)C[NH2+]CCF)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001486284251 918412742 /nfs/dbraw/zinc/41/27/42/918412742.db2.gz HTELPEVYTFHOAP-DGCLKSJQSA-N 2 2 298.362 -0.176 20 0 CBADLP CC[N@H+](C)C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001486361233 918449901 /nfs/dbraw/zinc/44/99/01/918449901.db2.gz SPHKRMNFXCVEJX-NSHDSACASA-N 2 2 254.334 -0.346 20 0 CBADLP CC[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001486361233 918449917 /nfs/dbraw/zinc/44/99/17/918449917.db2.gz SPHKRMNFXCVEJX-NSHDSACASA-N 2 2 254.334 -0.346 20 0 CBADLP CC(C)(C)[C@H](C[NH2+]CC(N)=O)NC(=O)CCc1c[nH]c[nH+]1 ZINC001486398300 918455031 /nfs/dbraw/zinc/45/50/31/918455031.db2.gz GYRDJGJCVJBOBJ-NSHDSACASA-N 2 2 295.387 -0.052 20 0 CBADLP CC(C)(C)[C@H](C[NH2+]CC(N)=O)NC(=O)CCc1c[nH+]c[nH]1 ZINC001486398300 918455039 /nfs/dbraw/zinc/45/50/39/918455039.db2.gz GYRDJGJCVJBOBJ-NSHDSACASA-N 2 2 295.387 -0.052 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C(C)(C)C ZINC001486415005 918459296 /nfs/dbraw/zinc/45/92/96/918459296.db2.gz GTHOYHQXRPCQKT-SNVBAGLBSA-N 2 2 295.387 -0.181 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+](C)C ZINC001488651676 918743775 /nfs/dbraw/zinc/74/37/75/918743775.db2.gz AXHVDLBNFGQFQI-VXGBXAGGSA-N 2 2 284.404 -0.395 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+](C)C ZINC001488651676 918743786 /nfs/dbraw/zinc/74/37/86/918743786.db2.gz AXHVDLBNFGQFQI-VXGBXAGGSA-N 2 2 284.404 -0.395 20 0 CBADLP CCC[N@H+](C)CC(=O)N(C)C[C@@H]1CC[NH+]1[C@H](C)C(=O)NC ZINC001488687648 918755506 /nfs/dbraw/zinc/75/55/06/918755506.db2.gz UKZBVMICYZSXAG-OLZOCXBDSA-N 2 2 298.431 -0.005 20 0 CBADLP CCC[N@@H+](C)CC(=O)N(C)C[C@@H]1CC[NH+]1[C@H](C)C(=O)NC ZINC001488687648 918755518 /nfs/dbraw/zinc/75/55/18/918755518.db2.gz UKZBVMICYZSXAG-OLZOCXBDSA-N 2 2 298.431 -0.005 20 0 CBADLP CCC[NH+](C)CC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@H](C)C(=O)NC ZINC001488687648 918755527 /nfs/dbraw/zinc/75/55/27/918755527.db2.gz UKZBVMICYZSXAG-OLZOCXBDSA-N 2 2 298.431 -0.005 20 0 CBADLP CCC[NH+](C)CC(=O)N(C)C[C@@H]1CC[N@H+]1[C@H](C)C(=O)NC ZINC001488687648 918755545 /nfs/dbraw/zinc/75/55/45/918755545.db2.gz UKZBVMICYZSXAG-OLZOCXBDSA-N 2 2 298.431 -0.005 20 0 CBADLP C[C@H](O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)Cc1c[nH+]cn1C ZINC001488683772 918756017 /nfs/dbraw/zinc/75/60/17/918756017.db2.gz MSQSNUDBOWXLIT-NWDGAFQWSA-N 2 2 280.372 -0.124 20 0 CBADLP C[C@H](O)C[N@H+]1CC[C@@H]1CN(C)C(=O)Cc1c[nH+]cn1C ZINC001488683772 918756032 /nfs/dbraw/zinc/75/60/32/918756032.db2.gz MSQSNUDBOWXLIT-NWDGAFQWSA-N 2 2 280.372 -0.124 20 0 CBADLP C[C@H]([NH2+][C@@H]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1)C(N)=O ZINC001488951639 918781808 /nfs/dbraw/zinc/78/18/08/918781808.db2.gz CMYJGZZVNGXDKD-GARJFASQSA-N 2 2 293.371 -0.300 20 0 CBADLP CC[N@H+](CCCNC(=O)Cc1[nH]c[nH+]c1C)CC(=O)NC ZINC001490356944 918895543 /nfs/dbraw/zinc/89/55/43/918895543.db2.gz LZVLHRZCBMVINO-UHFFFAOYSA-N 2 2 295.387 -0.165 20 0 CBADLP CC[N@@H+](CCCNC(=O)Cc1[nH]c[nH+]c1C)CC(=O)NC ZINC001490356944 918895550 /nfs/dbraw/zinc/89/55/50/918895550.db2.gz LZVLHRZCBMVINO-UHFFFAOYSA-N 2 2 295.387 -0.165 20 0 CBADLP CNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001491583538 919220122 /nfs/dbraw/zinc/22/01/22/919220122.db2.gz OXRACULIOKMVCY-HBNTYKKESA-N 2 2 293.371 -0.636 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001491591351 919220676 /nfs/dbraw/zinc/22/06/76/919220676.db2.gz VURPCUAIWNPPKT-BDAKNGLRSA-N 2 2 267.333 -0.819 20 0 CBADLP C[C@H](CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[NH2+]CC(=O)N(C)C ZINC001491605530 919222435 /nfs/dbraw/zinc/22/24/35/919222435.db2.gz MTRFNSHKRWZQJR-WDEREUQCSA-N 2 2 295.387 -0.229 20 0 CBADLP C[C@H](CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[NH2+]CC(=O)N(C)C ZINC001491605530 919222445 /nfs/dbraw/zinc/22/24/45/919222445.db2.gz MTRFNSHKRWZQJR-WDEREUQCSA-N 2 2 295.387 -0.229 20 0 CBADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CC(=O)N(C)C1CC1 ZINC001491624505 919234254 /nfs/dbraw/zinc/23/42/54/919234254.db2.gz LLMHFKSSIWLVSU-SNVBAGLBSA-N 2 2 293.371 -0.333 20 0 CBADLP CNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001492304190 919389053 /nfs/dbraw/zinc/38/90/53/919389053.db2.gz TWGCYNBTZYSIAQ-OLZOCXBDSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001492304190 919389066 /nfs/dbraw/zinc/38/90/66/919389066.db2.gz TWGCYNBTZYSIAQ-OLZOCXBDSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[NH+](C)CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001492304190 919389085 /nfs/dbraw/zinc/38/90/85/919389085.db2.gz TWGCYNBTZYSIAQ-OLZOCXBDSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[NH+](C)CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001492304190 919389101 /nfs/dbraw/zinc/38/91/01/919389101.db2.gz TWGCYNBTZYSIAQ-OLZOCXBDSA-N 2 2 296.415 -0.203 20 0 CBADLP C[C@@H](O)C[N@H+](C)CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001492309053 919390468 /nfs/dbraw/zinc/39/04/68/919390468.db2.gz LVSYHDQOWMMAPY-NEPJUHHUSA-N 2 2 280.372 -0.126 20 0 CBADLP C[C@@H](O)C[N@@H+](C)CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001492309053 919390484 /nfs/dbraw/zinc/39/04/84/919390484.db2.gz LVSYHDQOWMMAPY-NEPJUHHUSA-N 2 2 280.372 -0.126 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001492853473 919440867 /nfs/dbraw/zinc/44/08/67/919440867.db2.gz JEBANETUBZKMSC-GFCCVEGCSA-N 2 2 284.404 -0.489 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001492853473 919440878 /nfs/dbraw/zinc/44/08/78/919440878.db2.gz JEBANETUBZKMSC-GFCCVEGCSA-N 2 2 284.404 -0.489 20 0 CBADLP CC(C)NC(=O)C[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001492853473 919440903 /nfs/dbraw/zinc/44/09/03/919440903.db2.gz JEBANETUBZKMSC-GFCCVEGCSA-N 2 2 284.404 -0.489 20 0 CBADLP CC(C)NC(=O)C[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001492853473 919440910 /nfs/dbraw/zinc/44/09/10/919440910.db2.gz JEBANETUBZKMSC-GFCCVEGCSA-N 2 2 284.404 -0.489 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001493240358 919510905 /nfs/dbraw/zinc/51/09/05/919510905.db2.gz KDAGNZYGYZHZMX-PWSUYJOCSA-N 2 2 293.371 -0.346 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001493240358 919510917 /nfs/dbraw/zinc/51/09/17/919510917.db2.gz KDAGNZYGYZHZMX-PWSUYJOCSA-N 2 2 293.371 -0.346 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001493268150 919515998 /nfs/dbraw/zinc/51/59/98/919515998.db2.gz CIPZENOJGXEJHU-VXGBXAGGSA-N 2 2 293.371 -0.544 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001493268150 919516008 /nfs/dbraw/zinc/51/60/08/919516008.db2.gz CIPZENOJGXEJHU-VXGBXAGGSA-N 2 2 293.371 -0.544 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001493268149 919516037 /nfs/dbraw/zinc/51/60/37/919516037.db2.gz CIPZENOJGXEJHU-RYUDHWBXSA-N 2 2 293.371 -0.544 20 0 CBADLP CNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001493268149 919516049 /nfs/dbraw/zinc/51/60/49/919516049.db2.gz CIPZENOJGXEJHU-RYUDHWBXSA-N 2 2 293.371 -0.544 20 0 CBADLP CCC[N@H+](CCNC(=O)Cn1c[nH+]cc1C)[C@H](C)C(N)=O ZINC001493304905 919517708 /nfs/dbraw/zinc/51/77/08/919517708.db2.gz SAXPUCVEIPTQEC-GFCCVEGCSA-N 2 2 295.387 -0.106 20 0 CBADLP CCC[N@@H+](CCNC(=O)Cn1c[nH+]cc1C)[C@H](C)C(N)=O ZINC001493304905 919517716 /nfs/dbraw/zinc/51/77/16/919517716.db2.gz SAXPUCVEIPTQEC-GFCCVEGCSA-N 2 2 295.387 -0.106 20 0 CBADLP CN(CC[NH2+]Cc1cnon1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001493501410 919565723 /nfs/dbraw/zinc/56/57/23/919565723.db2.gz URNZNZQPVZJPFC-NSHDSACASA-N 2 2 267.333 -0.288 20 0 CBADLP CN(CC[NH2+]Cc1cnon1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001493501410 919565739 /nfs/dbraw/zinc/56/57/39/919565739.db2.gz URNZNZQPVZJPFC-NSHDSACASA-N 2 2 267.333 -0.288 20 0 CBADLP CNC(=O)C[NH2+]CCN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001493708598 919607143 /nfs/dbraw/zinc/60/71/43/919607143.db2.gz AUDLKSBYNLHUHW-LLVKDONJSA-N 2 2 281.360 -0.372 20 0 CBADLP CN(CC[NH2+]CCc1cnn(C)c1)C(=O)Cc1c[nH+]c[nH]1 ZINC001493708657 919608246 /nfs/dbraw/zinc/60/82/46/919608246.db2.gz JKKAQXIEYXZFQJ-UHFFFAOYSA-N 2 2 290.371 -0.024 20 0 CBADLP CCNC(=O)C[NH2+]CCN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001493725382 919613264 /nfs/dbraw/zinc/61/32/64/919613264.db2.gz KTDCMIQTODQSGZ-LLVKDONJSA-N 2 2 295.387 -0.228 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N(C)CC[NH2+][C@H](C)C(N)=O ZINC001493775159 919622098 /nfs/dbraw/zinc/62/20/98/919622098.db2.gz PZJXILLMEWZGBA-SECBINFHSA-N 2 2 267.333 -0.818 20 0 CBADLP CC[C@H](C(=O)N[C@H]1CCC[N@@H+]([C@H]2CCNC2=O)C1)[NH+](C)C ZINC001494319378 919675549 /nfs/dbraw/zinc/67/55/49/919675549.db2.gz IJZGPCOITTZHIN-XQQFMLRXSA-N 2 2 296.415 -0.204 20 0 CBADLP CC[C@H](C(=O)N[C@H]1CCC[N@H+]([C@H]2CCNC2=O)C1)[NH+](C)C ZINC001494319378 919675565 /nfs/dbraw/zinc/67/55/65/919675565.db2.gz IJZGPCOITTZHIN-XQQFMLRXSA-N 2 2 296.415 -0.204 20 0 CBADLP C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C[NH2+]Cc1ccon1 ZINC001495635336 919916483 /nfs/dbraw/zinc/91/64/83/919916483.db2.gz PFBWYOWZIAHXDO-WCQYABFASA-N 2 2 296.371 -0.153 20 0 CBADLP C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C[NH2+]Cc1ccon1 ZINC001495635336 919916495 /nfs/dbraw/zinc/91/64/95/919916495.db2.gz PFBWYOWZIAHXDO-WCQYABFASA-N 2 2 296.371 -0.153 20 0 CBADLP C[C@H](CCNC(=O)Cc1c[nH]c[nH+]1)NC(=O)CC[NH+](C)C ZINC001495737208 919938276 /nfs/dbraw/zinc/93/82/76/919938276.db2.gz QBODFXUPJVHXMH-LLVKDONJSA-N 2 2 295.387 -0.085 20 0 CBADLP Cc1nnc(C[NH2+]C[C@@H](C)CNC(=O)Cn2cc[nH+]c2)[nH]1 ZINC001495811658 919953225 /nfs/dbraw/zinc/95/32/25/919953225.db2.gz CMRKXORLYZBUIL-SNVBAGLBSA-N 2 2 291.359 -0.148 20 0 CBADLP COCC[N@@H+]1CCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001495869245 919973721 /nfs/dbraw/zinc/97/37/21/919973721.db2.gz HXMNXXDVOIPGCA-LBPRGKRZSA-N 2 2 273.377 -0.599 20 0 CBADLP COCC[N@H+]1CCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001495869245 919973735 /nfs/dbraw/zinc/97/37/35/919973735.db2.gz HXMNXXDVOIPGCA-LBPRGKRZSA-N 2 2 273.377 -0.599 20 0 CBADLP NC(=O)C[NH2+]C1(CNC(=O)Cc2c[nH]c[nH+]2)CCCC1 ZINC001495948866 919992301 /nfs/dbraw/zinc/99/23/01/919992301.db2.gz LORKUOHWXLZJBB-UHFFFAOYSA-N 2 2 279.344 -0.544 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001496084883 920022398 /nfs/dbraw/zinc/02/23/98/920022398.db2.gz YOFCFCIXACAYTD-WDEREUQCSA-N 2 2 295.387 -0.087 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001496084883 920022412 /nfs/dbraw/zinc/02/24/12/920022412.db2.gz YOFCFCIXACAYTD-WDEREUQCSA-N 2 2 295.387 -0.087 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001496219133 920044823 /nfs/dbraw/zinc/04/48/23/920044823.db2.gz USFUGQLRJNUCHY-KOLCDFICSA-N 2 2 295.387 -0.168 20 0 CBADLP CC[C@H]([NH2+]C[C@@H](C)N(C)C(=O)Cn1cc[nH+]c1)C(N)=O ZINC001496241699 920049725 /nfs/dbraw/zinc/04/97/25/920049725.db2.gz CDRQLXRNANITOU-MNOVXSKESA-N 2 2 281.360 -0.417 20 0 CBADLP CN(CCNC(=O)Cc1c[nH]c[nH+]1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001496609963 920093540 /nfs/dbraw/zinc/09/35/40/920093540.db2.gz BSUUYEYOYVNMAK-LBPRGKRZSA-N 2 2 293.371 -0.379 20 0 CBADLP CN(CCNC(=O)Cc1c[nH]c[nH+]1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001496609963 920093553 /nfs/dbraw/zinc/09/35/53/920093553.db2.gz BSUUYEYOYVNMAK-LBPRGKRZSA-N 2 2 293.371 -0.379 20 0 CBADLP CC(C)[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]C[C@@H](C)O ZINC001496641149 920101721 /nfs/dbraw/zinc/10/17/21/920101721.db2.gz HCUTYWYFRPMPNX-NEPJUHHUSA-N 2 2 268.361 -0.006 20 0 CBADLP C[C@@H](C(N)=O)[N@H+](C)CCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001496808069 920135300 /nfs/dbraw/zinc/13/53/00/920135300.db2.gz PGTDOTTUCMIFSP-ZDUSSCGKSA-N 2 2 298.431 -0.018 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001496808069 920135310 /nfs/dbraw/zinc/13/53/10/920135310.db2.gz PGTDOTTUCMIFSP-ZDUSSCGKSA-N 2 2 298.431 -0.018 20 0 CBADLP CC(C)[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001497012640 920207780 /nfs/dbraw/zinc/20/77/80/920207780.db2.gz SKOZFRUFMGKZGR-NWDGAFQWSA-N 2 2 280.372 -0.079 20 0 CBADLP Cc1cc(C)c(C(=O)NC[C@H](O)C[NH2+]CCO)c(C)[nH+]1 ZINC001497021542 920210024 /nfs/dbraw/zinc/21/00/24/920210024.db2.gz BWNRPJMHWPURGH-GFCCVEGCSA-N 2 2 281.356 -0.321 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@H](O)C[NH2+]CC1CCOCC1 ZINC001497063791 920234862 /nfs/dbraw/zinc/23/48/62/920234862.db2.gz PGKVORIXKVMBRP-ZDUSSCGKSA-N 2 2 296.371 -0.555 20 0 CBADLP C[C@H](CC[NH2+][C@H](C)C(N)=O)NC(=O)Cn1cc[nH+]c1 ZINC001497336874 920286670 /nfs/dbraw/zinc/28/66/70/920286670.db2.gz KZZBSTMWPLZJRK-NXEZZACHSA-N 2 2 267.333 -0.759 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]C/C=C/CNC(=O)CCn1cc[nH+]c1 ZINC001497644582 920357446 /nfs/dbraw/zinc/35/74/46/920357446.db2.gz NHCGXPURQPGXFZ-AAOUONPWSA-N 2 2 293.371 -0.330 20 0 CBADLP CN1CC[C@H]([NH2+]C/C=C\CNC(=O)Cc2[nH]cc[nH+]2)C1=O ZINC001497713282 920377826 /nfs/dbraw/zinc/37/78/26/920377826.db2.gz GBDVAEZVIXMMEE-QUCGXOGASA-N 2 2 291.355 -0.555 20 0 CBADLP C[C@H](C[NH2+]CCO)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001497817971 920402907 /nfs/dbraw/zinc/40/29/07/920402907.db2.gz OPRONETXFSIXDQ-MFKMUULPSA-N 2 2 295.387 -0.123 20 0 CBADLP C[C@H](C[NH2+]CCO)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001497817971 920402912 /nfs/dbraw/zinc/40/29/12/920402912.db2.gz OPRONETXFSIXDQ-MFKMUULPSA-N 2 2 295.387 -0.123 20 0 CBADLP C[C@H](C[NH2+]Cc1cnn(C)c1)NC(=O)Cc1c[nH+]cn1C ZINC001497963277 920431002 /nfs/dbraw/zinc/43/10/02/920431002.db2.gz RPWQTYSFIOFDAQ-LLVKDONJSA-N 2 2 290.371 -0.009 20 0 CBADLP CNC(=O)C[NH2+]C[C@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001498059698 920464906 /nfs/dbraw/zinc/46/49/06/920464906.db2.gz DVUIWDZGMCCWRZ-JTQLQIEISA-N 2 2 295.387 -0.233 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001498160634 920502213 /nfs/dbraw/zinc/50/22/13/920502213.db2.gz RMXAQNHZXVINLY-UWVGGRQHSA-N 2 2 281.360 -0.809 20 0 CBADLP C[C@@H](C[NH2+]CC(=O)N1CCC1)NC(=O)Cn1cc[nH+]c1 ZINC001498207711 920520519 /nfs/dbraw/zinc/52/05/19/920520519.db2.gz QBPCCEQZSOAQEX-NSHDSACASA-N 2 2 279.344 -0.790 20 0 CBADLP CN(C)C(=O)C[NH2+]C[C@H](NC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001498877440 920651567 /nfs/dbraw/zinc/65/15/67/920651567.db2.gz VTHWCYAHYJPGHR-LBPRGKRZSA-N 2 2 293.371 -0.544 20 0 CBADLP CCOCCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001498950743 920669154 /nfs/dbraw/zinc/66/91/54/920669154.db2.gz AHRWKEBVEDAUIG-UONOGXRCSA-N 2 2 299.415 -0.066 20 0 CBADLP CCOCCC[N@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001498950743 920669163 /nfs/dbraw/zinc/66/91/63/920669163.db2.gz AHRWKEBVEDAUIG-UONOGXRCSA-N 2 2 299.415 -0.066 20 0 CBADLP CCOCCC[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001498950743 920669174 /nfs/dbraw/zinc/66/91/74/920669174.db2.gz AHRWKEBVEDAUIG-UONOGXRCSA-N 2 2 299.415 -0.066 20 0 CBADLP CCOCCC[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001498950743 920669187 /nfs/dbraw/zinc/66/91/87/920669187.db2.gz AHRWKEBVEDAUIG-UONOGXRCSA-N 2 2 299.415 -0.066 20 0 CBADLP NC(=O)C[NH2+]C1(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001499268504 920728407 /nfs/dbraw/zinc/72/84/07/920728407.db2.gz GJTDKMOTLRJAIQ-JTQLQIEISA-N 2 2 291.355 -0.831 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]C1(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001499362055 920740420 /nfs/dbraw/zinc/74/04/20/920740420.db2.gz JGBBCFKGBQWKRH-VIFPVBQESA-N 2 2 279.344 -0.675 20 0 CBADLP CC[C@H](CNC(=O)CC[NH+](C)C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001499333058 920741487 /nfs/dbraw/zinc/74/14/87/920741487.db2.gz PPTKVBUALKLZMM-LLVKDONJSA-N 2 2 295.387 -0.085 20 0 CBADLP CC[C@@H](C[NH+]1CC(O)(CNC(=O)C[NH+]2CCCC2)C1)OC ZINC001500977944 920932238 /nfs/dbraw/zinc/93/22/38/920932238.db2.gz AQSWFEBILWRSPB-ZDUSSCGKSA-N 2 2 299.415 -0.330 20 0 CBADLP CO[C@H](C)C[NH+]1CC(O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001500977954 920934661 /nfs/dbraw/zinc/93/46/61/920934661.db2.gz AVPXAKAXZDOGNA-GFCCVEGCSA-N 2 2 285.388 -0.720 20 0 CBADLP C[C@H]([NH2+]CC(N)=O)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001501079451 920946819 /nfs/dbraw/zinc/94/68/19/920946819.db2.gz CSZOTBHYRJXEJH-UWVGGRQHSA-N 2 2 279.344 -0.736 20 0 CBADLP C[C@H](O)C[N@@H+]1CCOC[C@H]1CNC(=O)CC[NH+](C)C ZINC001501821897 921063729 /nfs/dbraw/zinc/06/37/29/921063729.db2.gz LKWRVDNHMDQCQT-NWDGAFQWSA-N 2 2 273.377 -0.864 20 0 CBADLP C[C@H](O)C[N@H+]1CCOC[C@H]1CNC(=O)CC[NH+](C)C ZINC001501821897 921063735 /nfs/dbraw/zinc/06/37/35/921063735.db2.gz LKWRVDNHMDQCQT-NWDGAFQWSA-N 2 2 273.377 -0.864 20 0 CBADLP C[C@H](O)C[N@@H+]1CCOC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001501821898 921064518 /nfs/dbraw/zinc/06/45/18/921064518.db2.gz LKWRVDNHMDQCQT-RYUDHWBXSA-N 2 2 273.377 -0.864 20 0 CBADLP C[C@H](O)C[N@H+]1CCOC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001501821898 921064529 /nfs/dbraw/zinc/06/45/29/921064529.db2.gz LKWRVDNHMDQCQT-RYUDHWBXSA-N 2 2 273.377 -0.864 20 0 CBADLP C[C@H](O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001507742146 921898732 /nfs/dbraw/zinc/89/87/32/921898732.db2.gz KXYHYIHVSQLKMF-NWDGAFQWSA-N 2 2 284.360 -0.985 20 0 CBADLP C[C@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001507742146 921898740 /nfs/dbraw/zinc/89/87/40/921898740.db2.gz KXYHYIHVSQLKMF-NWDGAFQWSA-N 2 2 284.360 -0.985 20 0 CBADLP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1c1cc(N)[nH+]cn1 ZINC001515832717 922245856 /nfs/dbraw/zinc/24/58/56/922245856.db2.gz SQGVJACCAPSCAP-NXEZZACHSA-N 2 2 251.334 -0.050 20 0 CBADLP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1c1cc(N)[nH+]cn1 ZINC001515832717 922245865 /nfs/dbraw/zinc/24/58/65/922245865.db2.gz SQGVJACCAPSCAP-NXEZZACHSA-N 2 2 251.334 -0.050 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H]2C[N@@H+]3CCN2C[C@@H]3C)CC1 ZINC001518741437 922268823 /nfs/dbraw/zinc/26/88/23/922268823.db2.gz HNFFFUMSBIFCBX-STQMWFEESA-N 2 2 266.389 -0.461 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H]2C[N@H+]3CCN2C[C@@H]3C)CC1 ZINC001518741437 922268836 /nfs/dbraw/zinc/26/88/36/922268836.db2.gz HNFFFUMSBIFCBX-STQMWFEESA-N 2 2 266.389 -0.461 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001521438772 922355373 /nfs/dbraw/zinc/35/53/73/922355373.db2.gz GWZCHTLMZUYYNV-YVECIDJPSA-N 2 2 267.373 -0.036 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@]1(C)C[C@@H](O)C[NH2+]1 ZINC001521444958 922358663 /nfs/dbraw/zinc/35/86/63/922358663.db2.gz AXLHAVAODIWTOY-CKYFFXLPSA-N 2 2 252.318 -0.499 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CN1C(=O)CCC1=O ZINC001521702645 922372376 /nfs/dbraw/zinc/37/23/76/922372376.db2.gz XCHAXMQGDKQMKC-UHFFFAOYSA-N 2 2 298.387 -0.865 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CN1C(=O)CCC1=O ZINC001521702645 922372382 /nfs/dbraw/zinc/37/23/82/922372382.db2.gz XCHAXMQGDKQMKC-UHFFFAOYSA-N 2 2 298.387 -0.865 20 0 CBADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1C[NH2+]CCO1 ZINC001521697357 922375025 /nfs/dbraw/zinc/37/50/25/922375025.db2.gz HZGGXJRUQXLIFQ-GMTAPVOTSA-N 2 2 264.329 -0.372 20 0 CBADLP C[C@H](CC(=O)N1CC[NH2+]C[C@@H]1CO)n1cc[nH+]c1 ZINC001522419104 922413773 /nfs/dbraw/zinc/41/37/73/922413773.db2.gz VTMQEDKYMOPPDM-GHMZBOCLSA-N 2 2 252.318 -0.373 20 0 CBADLP CN1CC[C@](C)(C(=O)NCC[NH+]2CCC([NH3+])CC2)C1=O ZINC001522639942 922494352 /nfs/dbraw/zinc/49/43/52/922494352.db2.gz OXMLSKSYPVSBKZ-CQSZACIVSA-N 2 2 282.388 -0.606 20 0 CBADLP CC(C)C[C@H]([NH3+])C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001522639262 922494590 /nfs/dbraw/zinc/49/45/90/922494590.db2.gz KZJUHXZOOQVUCI-LBPRGKRZSA-N 3 2 256.394 -0.101 20 0 CBADLP C[NH2+]C[C@H](C)C(=O)N[C@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC001524028542 922615556 /nfs/dbraw/zinc/61/55/56/922615556.db2.gz CFKFMTFTWWYTQB-TUAOUCFPSA-N 2 2 256.394 -0.408 20 0 CBADLP C[NH2+]C[C@H](C)C(=O)N[C@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC001524028542 922615567 /nfs/dbraw/zinc/61/55/67/922615567.db2.gz CFKFMTFTWWYTQB-TUAOUCFPSA-N 2 2 256.394 -0.408 20 0 CBADLP C[C@H](CCNC(=O)CC[NH+](C)C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001527760475 922769860 /nfs/dbraw/zinc/76/98/60/922769860.db2.gz IHKOCAWUWKXRKW-LLVKDONJSA-N 2 2 295.387 -0.085 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N1CC(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001530670352 922954827 /nfs/dbraw/zinc/95/48/27/922954827.db2.gz JOSMQBKDYWSVMP-UHFFFAOYSA-N 2 2 293.371 -0.381 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N1CC(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001530670352 922954848 /nfs/dbraw/zinc/95/48/48/922954848.db2.gz JOSMQBKDYWSVMP-UHFFFAOYSA-N 2 2 293.371 -0.381 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2cc(N)[nH+]cn2)CC1 ZINC001548457090 923353574 /nfs/dbraw/zinc/35/35/74/923353574.db2.gz AKARFXVOCNDQBV-LLVKDONJSA-N 2 2 290.371 -0.198 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2cc(N)[nH+]cn2)CC1 ZINC001548457090 923353592 /nfs/dbraw/zinc/35/35/92/923353592.db2.gz AKARFXVOCNDQBV-LLVKDONJSA-N 2 2 290.371 -0.198 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2cc(N)[nH+]cn2)CC1 ZINC001548457094 923355644 /nfs/dbraw/zinc/35/56/44/923355644.db2.gz AKARFXVOCNDQBV-NSHDSACASA-N 2 2 290.371 -0.198 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2cc(N)[nH+]cn2)CC1 ZINC001548457094 923355658 /nfs/dbraw/zinc/35/56/58/923355658.db2.gz AKARFXVOCNDQBV-NSHDSACASA-N 2 2 290.371 -0.198 20 0 CBADLP O=C(NCCc1[nH]cc[nH+]1)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC001548552937 923377082 /nfs/dbraw/zinc/37/70/82/923377082.db2.gz HQHHPONYRKWRSY-ZDUSSCGKSA-N 2 2 277.328 -0.033 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2C[NH2+]CCN2C)[C@H](C)CO1 ZINC001548567798 923391936 /nfs/dbraw/zinc/39/19/36/923391936.db2.gz ARGDVETZTNNGOT-UPJWGTAASA-N 2 2 284.404 -0.885 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2C[NH2+]CCN2C)[C@H](C)CO1 ZINC001548567798 923391949 /nfs/dbraw/zinc/39/19/49/923391949.db2.gz ARGDVETZTNNGOT-UPJWGTAASA-N 2 2 284.404 -0.885 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@H]2C[N@@H+]3CCN2C[C@@H]3C)CC1 ZINC001548647801 923428115 /nfs/dbraw/zinc/42/81/15/923428115.db2.gz XLOFECARPLTJCT-UONOGXRCSA-N 2 2 296.415 -0.835 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@H]2C[N@H+]3CCN2C[C@@H]3C)CC1 ZINC001548647801 923428126 /nfs/dbraw/zinc/42/81/26/923428126.db2.gz XLOFECARPLTJCT-UONOGXRCSA-N 2 2 296.415 -0.835 20 0 CBADLP CC[N@@H+]1CCN(C(=O)[C@@H]2C[NH+]3CCN2C[C@@H]3C)[C@H](C)C1 ZINC001548703594 923463676 /nfs/dbraw/zinc/46/36/76/923463676.db2.gz GAGZYRKEFUKYEG-MJBXVCDLSA-N 2 2 280.416 -0.073 20 0 CBADLP CC[N@H+]1CCN(C(=O)[C@@H]2C[NH+]3CCN2C[C@@H]3C)[C@H](C)C1 ZINC001548703594 923463690 /nfs/dbraw/zinc/46/36/90/923463690.db2.gz GAGZYRKEFUKYEG-MJBXVCDLSA-N 2 2 280.416 -0.073 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H]2C[N@@H+]3CCN2C[C@@H]3C)[C@H](C)C1 ZINC001548703594 923463702 /nfs/dbraw/zinc/46/37/02/923463702.db2.gz GAGZYRKEFUKYEG-MJBXVCDLSA-N 2 2 280.416 -0.073 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H]2C[N@H+]3CCN2C[C@@H]3C)[C@H](C)C1 ZINC001548703594 923463714 /nfs/dbraw/zinc/46/37/14/923463714.db2.gz GAGZYRKEFUKYEG-MJBXVCDLSA-N 2 2 280.416 -0.073 20 0 CBADLP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC001548713639 923470851 /nfs/dbraw/zinc/47/08/51/923470851.db2.gz JICWQXADSPXZCD-NTZNESFSSA-N 2 2 275.356 -0.688 20 0 CBADLP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC001548713639 923470856 /nfs/dbraw/zinc/47/08/56/923470856.db2.gz JICWQXADSPXZCD-NTZNESFSSA-N 2 2 275.356 -0.688 20 0 CBADLP C[NH+](C)C[C@@]1(O)CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001548751183 923495221 /nfs/dbraw/zinc/49/52/21/923495221.db2.gz VHDNRWDCKJLWAM-WFASDCNBSA-N 2 2 292.383 -0.030 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CCC[C@H]1[N@@H+]1CC[C@H](O)C1 ZINC001549115555 923557201 /nfs/dbraw/zinc/55/72/01/923557201.db2.gz UPEMMLHHUFUJAL-YNEHKIRRSA-N 2 2 278.356 -0.013 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CCC[C@H]1[N@H+]1CC[C@H](O)C1 ZINC001549115555 923557214 /nfs/dbraw/zinc/55/72/14/923557214.db2.gz UPEMMLHHUFUJAL-YNEHKIRRSA-N 2 2 278.356 -0.013 20 0 CBADLP O=C(N[C@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)C1(O)C[NH2+]C1 ZINC001549299232 923587899 /nfs/dbraw/zinc/58/78/99/923587899.db2.gz XHVDAHOQMIPKNL-NWDGAFQWSA-N 2 2 295.383 -0.920 20 0 CBADLP CN1CC[NH+]([C@@H]2CCN(C(=O)[C@@]34C[C@@H]3C[C@H]([NH3+])C4)C2)CC1 ZINC001549905962 923648915 /nfs/dbraw/zinc/64/89/15/923648915.db2.gz WFNGTQJSRKLIKD-TTZDDIAXSA-N 2 2 292.427 -0.038 20 0 CBADLP [NH3+][C@@H]1C[C@H]1C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC001550100962 923681659 /nfs/dbraw/zinc/68/16/59/923681659.db2.gz ZLZXUUYTZNEJGK-CHWSQXEVSA-N 2 2 275.356 -0.490 20 0 CBADLP C[C@@H]1C[N@H+](CCN2C[C@@H]3CCC[NH+]3C[C@H]2CO)CCO1 ZINC001550145046 923700444 /nfs/dbraw/zinc/70/04/44/923700444.db2.gz LNDBKAGUJHXCAN-ILXRZTDVSA-N 2 2 283.416 -0.152 20 0 CBADLP C[C@@H]1C[N@@H+](CCN2C[C@@H]3CCC[NH+]3C[C@H]2CO)CCO1 ZINC001550145046 923700449 /nfs/dbraw/zinc/70/04/49/923700449.db2.gz LNDBKAGUJHXCAN-ILXRZTDVSA-N 2 2 283.416 -0.152 20 0 CBADLP C[C@@H]1C[NH+](CCN2C[C@@H]3CCC[N@@H+]3C[C@H]2CO)CCO1 ZINC001550145046 923700453 /nfs/dbraw/zinc/70/04/53/923700453.db2.gz LNDBKAGUJHXCAN-ILXRZTDVSA-N 2 2 283.416 -0.152 20 0 CBADLP C[C@@H]1C[NH+](CCN2C[C@@H]3CCC[N@H+]3C[C@H]2CO)CCO1 ZINC001550145046 923700457 /nfs/dbraw/zinc/70/04/57/923700457.db2.gz LNDBKAGUJHXCAN-ILXRZTDVSA-N 2 2 283.416 -0.152 20 0 CBADLP O=C(C[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1)N1CC[NH2+]CC1 ZINC001550244051 923712962 /nfs/dbraw/zinc/71/29/62/923712962.db2.gz SCAWJZYHZJRONG-HNNXBMFYSA-N 3 2 280.416 -0.116 20 0 CBADLP O=C(C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1)N1CC[NH2+]CC1 ZINC001550244051 923712975 /nfs/dbraw/zinc/71/29/75/923712975.db2.gz SCAWJZYHZJRONG-HNNXBMFYSA-N 3 2 280.416 -0.116 20 0 CBADLP [NH3+][C@H]1CC12CC(NC(=O)N1CC[C@H]([NH+]3CCOCC3)C1)C2 ZINC001551572986 923804026 /nfs/dbraw/zinc/80/40/26/923804026.db2.gz DSXHKTBRUWPKNH-FMPXUHTOSA-N 2 2 294.399 -0.018 20 0 CBADLP [NH3+][C@H]1CC12CC(NC(=O)N1CC[NH+]([C@@H]3CCOC3)CC1)C2 ZINC001551573481 923804321 /nfs/dbraw/zinc/80/43/21/923804321.db2.gz FHMAGCKWLWDOLE-ICRTXTNUSA-N 2 2 294.399 -0.018 20 0 CBADLP C[N@@H+]1CCO[C@@H]2CCN(C(=O)[C@@H]3C[NH2+]CCOC3)C[C@H]21 ZINC001552091332 923832159 /nfs/dbraw/zinc/83/21/59/923832159.db2.gz XRPNVBLVEUQCAY-JHJVBQTASA-N 2 2 283.372 -0.846 20 0 CBADLP C[N@H+]1CCO[C@@H]2CCN(C(=O)[C@@H]3C[NH2+]CCOC3)C[C@H]21 ZINC001552091332 923832167 /nfs/dbraw/zinc/83/21/67/923832167.db2.gz XRPNVBLVEUQCAY-JHJVBQTASA-N 2 2 283.372 -0.846 20 0 CBADLP O=C(NCCn1cc[nH+]c1)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001552166419 923845183 /nfs/dbraw/zinc/84/51/83/923845183.db2.gz CGDDYIVSRKKQHZ-JTQLQIEISA-N 2 2 275.316 -0.561 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552199319 923856543 /nfs/dbraw/zinc/85/65/43/923856543.db2.gz AMZHHRCZLBBYKJ-WZRBSPASSA-N 2 2 264.329 -0.376 20 0 CBADLP C[N@@H+]1CCO[C@@H]2CCN(C(=O)[C@]34C[NH2+]C[C@@H]3COC4)C[C@H]21 ZINC001552205392 923868958 /nfs/dbraw/zinc/86/89/58/923868958.db2.gz XORFFRKWWPTMTN-BHPKHCPMSA-N 2 2 295.383 -0.846 20 0 CBADLP C[N@H+]1CCO[C@@H]2CCN(C(=O)[C@]34C[NH2+]C[C@@H]3COC4)C[C@H]21 ZINC001552205392 923868972 /nfs/dbraw/zinc/86/89/72/923868972.db2.gz XORFFRKWWPTMTN-BHPKHCPMSA-N 2 2 295.383 -0.846 20 0 CBADLP O=C(N1CC[NH+]([C@@H]2CCOC2)CC1)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552218812 923870934 /nfs/dbraw/zinc/87/09/34/923870934.db2.gz XTIXASVDMQPCKM-UMVBOHGHSA-N 2 2 295.383 -0.845 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@]23C[NH2+]C[C@@H]2COC3)[C@H](C)CO1 ZINC001552218069 923872783 /nfs/dbraw/zinc/87/27/83/923872783.db2.gz LBOCCGLLMHHXQF-BHPKHCPMSA-N 2 2 297.399 -0.552 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@]23C[NH2+]C[C@@H]2COC3)[C@H](C)CO1 ZINC001552218069 923872793 /nfs/dbraw/zinc/87/27/93/923872793.db2.gz LBOCCGLLMHHXQF-BHPKHCPMSA-N 2 2 297.399 -0.552 20 0 CBADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NC1CC([NH3+])C1 ZINC001552344951 923888471 /nfs/dbraw/zinc/88/84/71/923888471.db2.gz JZAUAVCLFGGNKB-YWPUVAFDSA-N 2 2 282.388 -0.019 20 0 CBADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCC1([NH3+])CC1 ZINC001552353694 923889756 /nfs/dbraw/zinc/88/97/56/923889756.db2.gz POKWUXFJUDGOFI-NWDGAFQWSA-N 2 2 282.388 -0.018 20 0 CBADLP O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)N[C@H]1C[NH2+]C[C@@H]1F ZINC001552356165 923891207 /nfs/dbraw/zinc/89/12/07/923891207.db2.gz UAUNPPHHBMIYIU-USZNOCQGSA-N 2 2 286.351 -0.541 20 0 CBADLP O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)N[C@H]1C[NH2+]C[C@@H]1F ZINC001552356165 923891212 /nfs/dbraw/zinc/89/12/12/923891212.db2.gz UAUNPPHHBMIYIU-USZNOCQGSA-N 2 2 286.351 -0.541 20 0 CBADLP C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[NH2+]C2)C1 ZINC001552420209 923895605 /nfs/dbraw/zinc/89/56/05/923895605.db2.gz DZODHCPJILQRGX-VXGBXAGGSA-N 2 2 255.362 -0.177 20 0 CBADLP C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[NH2+]C2)C1 ZINC001552420209 923895617 /nfs/dbraw/zinc/89/56/17/923895617.db2.gz DZODHCPJILQRGX-VXGBXAGGSA-N 2 2 255.362 -0.177 20 0 CBADLP C[C@]1([NH3+])CCN(C(=O)[C@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001553035303 923936899 /nfs/dbraw/zinc/93/68/99/923936899.db2.gz OXERSSKMNBKSSF-NFAWXSAZSA-N 2 2 297.399 -0.184 20 0 CBADLP C[C@H](C[NH+](C)C)NC(=O)[C@@H]1CC[C@@H](C[NH+]2CCOCC2)O1 ZINC001553144674 923943055 /nfs/dbraw/zinc/94/30/55/923943055.db2.gz HUAOUIVAIWDRBP-RDBSUJKOSA-N 2 2 299.415 -0.068 20 0 CBADLP [NH3+][C@@H]1CCCN(C(=O)[C@H]2CC[C@@H](C[NH+]3CCOCC3)O2)C1 ZINC001553342505 923948839 /nfs/dbraw/zinc/94/88/39/923948839.db2.gz HEFBPWVTPXZIRZ-HZSPNIEDSA-N 2 2 297.399 -0.184 20 0 CBADLP C[C@H]([NH3+])CCNC(=O)[C@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001553352156 923956803 /nfs/dbraw/zinc/95/68/03/923956803.db2.gz CDHZRRWSWFXBNC-YNEHKIRRSA-N 2 2 285.388 -0.280 20 0 CBADLP O=C(N[C@@H]1CC[NH2+]C1)[C@@H]1CC[C@@H](C[NH+]2CCOCC2)O1 ZINC001553356830 923959877 /nfs/dbraw/zinc/95/98/77/923959877.db2.gz YUTXFPOSOKVPQH-AGIUHOORSA-N 2 2 283.372 -0.656 20 0 CBADLP CC(C)([NH3+])CNC(=O)[C@H]1CC[C@@H](C[NH+]2CCOCC2)O1 ZINC001553356135 923960409 /nfs/dbraw/zinc/96/04/09/923960409.db2.gz DUZHRJOMSLDPPQ-NWDGAFQWSA-N 2 2 285.388 -0.280 20 0 CBADLP [NH3+]C[C@@H]1CCN(C(=O)[C@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001553358139 923961572 /nfs/dbraw/zinc/96/15/72/923961572.db2.gz YFOIKXVDOBTJFM-BFHYXJOUSA-N 2 2 297.399 -0.327 20 0 CBADLP [NH3+]C[C@@H]1CCCN1C(=O)[C@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001553360330 923964137 /nfs/dbraw/zinc/96/41/37/923964137.db2.gz XCDZUWXGQCVPNW-BFHYXJOUSA-N 2 2 297.399 -0.184 20 0 CBADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)[C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1 ZINC001553404119 923976495 /nfs/dbraw/zinc/97/64/95/923976495.db2.gz AMOLRVRXEIHJKJ-NAKRPEOUSA-N 2 2 289.326 -0.133 20 0 CBADLP O=C(NCCn1cc[nH+]c1)[C@@H]1C[C@H]2OCC[C@@H]2[NH2+]1 ZINC001553404130 923978362 /nfs/dbraw/zinc/97/83/62/923978362.db2.gz CJJNMKMFZFNZIC-GARJFASQSA-N 2 2 250.302 -0.481 20 0 CBADLP CC1(C)C[N@H+](CCNC(=O)[C@@H]2C[C@H]3OCC[C@@H]3[NH2+]2)CCO1 ZINC001553406075 923980911 /nfs/dbraw/zinc/98/09/11/923980911.db2.gz DHNKCVGAGHUITM-RWMBFGLXSA-N 2 2 297.399 -0.267 20 0 CBADLP CC1(C)C[N@@H+](CCNC(=O)[C@@H]2C[C@H]3OCC[C@@H]3[NH2+]2)CCO1 ZINC001553406075 923980925 /nfs/dbraw/zinc/98/09/25/923980925.db2.gz DHNKCVGAGHUITM-RWMBFGLXSA-N 2 2 297.399 -0.267 20 0 CBADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1C[C@H]2OCC[C@@H]2[NH2+]1 ZINC001553428250 923996787 /nfs/dbraw/zinc/99/67/87/923996787.db2.gz GPAUDWUEHIDEMI-ZOBORPQBSA-N 2 2 297.399 -0.267 20 0 CBADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1C[C@H]2OCC[C@@H]2[NH2+]1 ZINC001553428250 923996797 /nfs/dbraw/zinc/99/67/97/923996797.db2.gz GPAUDWUEHIDEMI-ZOBORPQBSA-N 2 2 297.399 -0.267 20 0 CBADLP C[N@@H+]1CCO[C@H](CNC(=O)N2CC[C@@H]3CC[NH2+]C[C@H]3C2)C1 ZINC001553447872 924002661 /nfs/dbraw/zinc/00/26/61/924002661.db2.gz WKPFOYSVEPODDD-MELADBBJSA-N 2 2 296.415 -0.042 20 0 CBADLP C[N@H+]1CCO[C@H](CNC(=O)N2CC[C@@H]3CC[NH2+]C[C@H]3C2)C1 ZINC001553447872 924002672 /nfs/dbraw/zinc/00/26/72/924002672.db2.gz WKPFOYSVEPODDD-MELADBBJSA-N 2 2 296.415 -0.042 20 0 CBADLP C[N@@H+]1CCO[C@H](CNC(=O)N[C@]23CCC[C@H]2C[NH2+]C3)C1 ZINC001553444838 924002898 /nfs/dbraw/zinc/00/28/98/924002898.db2.gz NAXTXCXEBDBNAX-SCRDCRAPSA-N 2 2 282.388 -0.242 20 0 CBADLP C[N@H+]1CCO[C@H](CNC(=O)N[C@]23CCC[C@H]2C[NH2+]C3)C1 ZINC001553444838 924002907 /nfs/dbraw/zinc/00/29/07/924002907.db2.gz NAXTXCXEBDBNAX-SCRDCRAPSA-N 2 2 282.388 -0.242 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)N2C[C@@H]3CC[C@]3([NH3+])C2)CC1 ZINC001553529978 924026949 /nfs/dbraw/zinc/02/69/49/924026949.db2.gz PUYINKORLRFVFI-FZMZJTMJSA-N 3 2 281.404 -0.458 20 0 CBADLP C[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+]2C2CCCC2)[C@@H](O)C1 ZINC001553646028 924031969 /nfs/dbraw/zinc/03/19/69/924031969.db2.gz CGZAZTSPJKDREZ-UPJWGTAASA-N 2 2 267.373 -0.206 20 0 CBADLP C[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+]2C2CCCC2)[C@@H](O)C1 ZINC001553646028 924031982 /nfs/dbraw/zinc/03/19/82/924031982.db2.gz CGZAZTSPJKDREZ-UPJWGTAASA-N 2 2 267.373 -0.206 20 0 CBADLP C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+]2C2CCCC2)[C@@H](O)C1 ZINC001553646028 924031993 /nfs/dbraw/zinc/03/19/93/924031993.db2.gz CGZAZTSPJKDREZ-UPJWGTAASA-N 2 2 267.373 -0.206 20 0 CBADLP C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+]2C2CCCC2)[C@@H](O)C1 ZINC001553646028 924032004 /nfs/dbraw/zinc/03/20/04/924032004.db2.gz CGZAZTSPJKDREZ-UPJWGTAASA-N 2 2 267.373 -0.206 20 0 CBADLP C[N@@H+]1C[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC001558502513 924178385 /nfs/dbraw/zinc/17/83/85/924178385.db2.gz GHXCQCXQYKMADU-QWRGUYRKSA-N 2 2 255.362 -0.227 20 0 CBADLP C[N@H+]1C[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC001558502513 924178390 /nfs/dbraw/zinc/17/83/90/924178390.db2.gz GHXCQCXQYKMADU-QWRGUYRKSA-N 2 2 255.362 -0.227 20 0 CBADLP C[NH+]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C(C)(C)C1 ZINC001558502513 924178396 /nfs/dbraw/zinc/17/83/96/924178396.db2.gz GHXCQCXQYKMADU-QWRGUYRKSA-N 2 2 255.362 -0.227 20 0 CBADLP C[NH+]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C(C)(C)C1 ZINC001558502513 924178400 /nfs/dbraw/zinc/17/84/00/924178400.db2.gz GHXCQCXQYKMADU-QWRGUYRKSA-N 2 2 255.362 -0.227 20 0 CBADLP C[NH+](C)C[C@@](C)(O)CNC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000430257881 282129855 /nfs/dbraw/zinc/12/98/55/282129855.db2.gz LNZHIYYZCTZMLX-RISCZKNCSA-N 2 2 295.387 -0.190 20 0 CBADLP Cn1cc[nH+]c1CNC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000337720943 214234201 /nfs/dbraw/zinc/23/42/01/214234201.db2.gz PADAOORLDTUGOL-LBPRGKRZSA-N 2 2 269.349 -0.468 20 0 CBADLP Cn1cc[nH+]c1CNC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000337720941 214232991 /nfs/dbraw/zinc/23/29/91/214232991.db2.gz PADAOORLDTUGOL-GFCCVEGCSA-N 2 2 269.349 -0.468 20 0 CBADLP C[C@@]1(C[NH3+])CC[N@H+](CC(=O)NCCCN2CCCC2=O)C1 ZINC000337738750 214240101 /nfs/dbraw/zinc/24/01/01/214240101.db2.gz BTXFIIVWVCXRLS-HNNXBMFYSA-N 2 2 296.415 -0.214 20 0 CBADLP C[C@@]1(C[NH3+])CC[N@@H+](CC(=O)NCCCN2CCCC2=O)C1 ZINC000337738750 214240103 /nfs/dbraw/zinc/24/01/03/214240103.db2.gz BTXFIIVWVCXRLS-HNNXBMFYSA-N 2 2 296.415 -0.214 20 0 CBADLP C[NH+](C)C[C@](C)(O)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492814741 282141490 /nfs/dbraw/zinc/14/14/90/282141490.db2.gz VJAAXRBILXNIDG-QMAVJUDZSA-N 2 2 252.318 -0.148 20 0 CBADLP C[NH+](C)CC(=O)N1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000337989709 214347049 /nfs/dbraw/zinc/34/70/49/214347049.db2.gz MVWZBDMMRRXDFA-UHFFFAOYSA-N 2 2 293.371 -0.494 20 0 CBADLP O=C(NC[C@@]1([NH+]2CCOCC2)CCCOC1)C1C[NH2+]C1 ZINC000367808797 295675497 /nfs/dbraw/zinc/67/54/97/295675497.db2.gz ABZKHXVMCSFGRL-AWEZNQCLSA-N 2 2 283.372 -0.797 20 0 CBADLP C[C@@H](C(=O)N1CC[NH+](C2CC2)CC1)N1CC[NH+](C)CC1 ZINC000338070502 214388240 /nfs/dbraw/zinc/38/82/40/214388240.db2.gz XBYHUOBHTUNNNA-ZDUSSCGKSA-N 2 2 280.416 -0.071 20 0 CBADLP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CC[NH2+]CC1)c1ccco1 ZINC000418827808 282169276 /nfs/dbraw/zinc/16/92/76/282169276.db2.gz HDAIURAOMGSWOC-NSHDSACASA-N 2 2 294.355 -0.570 20 0 CBADLP C[C@@H]1CC[NH2+][C@@H](C(=O)NCC[NH+]2CCOCC2)C1 ZINC000126013177 187210872 /nfs/dbraw/zinc/21/08/72/187210872.db2.gz HZJGLPUATBHNMW-VXGBXAGGSA-N 2 2 255.362 -0.177 20 0 CBADLP C[C@H]1CC[NH2+][C@@H](C(=O)N2CC[NH+](CCO)CC2)C1 ZINC000126116443 187218046 /nfs/dbraw/zinc/21/80/46/187218046.db2.gz KUCPOWLJCYQAJO-NWDGAFQWSA-N 2 2 255.362 -0.489 20 0 CBADLP COC[C@H](O)C[NH+]1CCN(Cc2[nH+]ccn2C)CC1 ZINC000126692036 187255566 /nfs/dbraw/zinc/25/55/66/187255566.db2.gz YLBGFEYDNBNVHC-GFCCVEGCSA-N 2 2 268.361 -0.455 20 0 CBADLP CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCC([NH+](C)CCO)CC1 ZINC000351485929 219102385 /nfs/dbraw/zinc/10/23/85/219102385.db2.gz URXJVYKBVAXWTG-CQSZACIVSA-N 2 2 299.415 -0.378 20 0 CBADLP CC[N@H+]1CCOC[C@@H]1C(=O)N1CCC([NH+](C)CCO)CC1 ZINC000351485929 219102388 /nfs/dbraw/zinc/10/23/88/219102388.db2.gz URXJVYKBVAXWTG-CQSZACIVSA-N 2 2 299.415 -0.378 20 0 CBADLP CC[NH+]1CCOC[C@@H]1C(=O)N1CCC([N@H+](C)CCO)CC1 ZINC000351485929 219102389 /nfs/dbraw/zinc/10/23/89/219102389.db2.gz URXJVYKBVAXWTG-CQSZACIVSA-N 2 2 299.415 -0.378 20 0 CBADLP CC[NH+]1CCOC[C@@H]1C(=O)N1CCC([N@@H+](C)CCO)CC1 ZINC000351485929 219102391 /nfs/dbraw/zinc/10/23/91/219102391.db2.gz URXJVYKBVAXWTG-CQSZACIVSA-N 2 2 299.415 -0.378 20 0 CBADLP C[C@H](C(=O)N1CCC([N@H+](C)CCO)CC1)[NH+]1CCOCC1 ZINC000351486328 219103152 /nfs/dbraw/zinc/10/31/52/219103152.db2.gz NMSQWBOIUHNFEA-CYBMUJFWSA-N 2 2 299.415 -0.378 20 0 CBADLP C[C@H](C(=O)N1CCC([N@@H+](C)CCO)CC1)[NH+]1CCOCC1 ZINC000351486328 219103153 /nfs/dbraw/zinc/10/31/53/219103153.db2.gz NMSQWBOIUHNFEA-CYBMUJFWSA-N 2 2 299.415 -0.378 20 0 CBADLP C[C@@H]1C[C@H](C(=O)N[C@H](CO)C[NH+]2CCOCC2)CC[N@@H+]1C ZINC000351507495 219108917 /nfs/dbraw/zinc/10/89/17/219108917.db2.gz ZQLHGRWZSGAHGA-MCIONIFRSA-N 2 2 299.415 -0.474 20 0 CBADLP C[C@@H]1C[C@H](C(=O)N[C@H](CO)C[NH+]2CCOCC2)CC[N@H+]1C ZINC000351507495 219108919 /nfs/dbraw/zinc/10/89/19/219108919.db2.gz ZQLHGRWZSGAHGA-MCIONIFRSA-N 2 2 299.415 -0.474 20 0 CBADLP CC[C@@H]1CN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)C[C@H]1[NH+]1CCOCC1 ZINC000573488777 334941929 /nfs/dbraw/zinc/94/19/29/334941929.db2.gz FMHUQBIFECKOII-AAVRWANBSA-N 2 2 297.399 -0.722 20 0 CBADLP CN1CC[C@H]([NH+]2CCC([N@H+](C)CCCO)CC2)C1=O ZINC000116281365 529894130 /nfs/dbraw/zinc/89/41/30/529894130.db2.gz GNHWIXBZWLYDER-ZDUSSCGKSA-N 2 2 269.389 -0.004 20 0 CBADLP CN1CC[C@H]([NH+]2CCC([N@@H+](C)CCCO)CC2)C1=O ZINC000116281365 529894131 /nfs/dbraw/zinc/89/41/31/529894131.db2.gz GNHWIXBZWLYDER-ZDUSSCGKSA-N 2 2 269.389 -0.004 20 0 CBADLP COC(=O)C[C@H]1C(=O)NCC[N@H+]1CCCn1cc[nH+]c1C ZINC000127281025 187293694 /nfs/dbraw/zinc/29/36/94/187293694.db2.gz KYVDEXHCJPAPFT-LBPRGKRZSA-N 2 2 294.355 -0.055 20 0 CBADLP COC(=O)C[C@H]1C(=O)NCC[N@@H+]1CCCn1cc[nH+]c1C ZINC000127281025 187293696 /nfs/dbraw/zinc/29/36/96/187293696.db2.gz KYVDEXHCJPAPFT-LBPRGKRZSA-N 2 2 294.355 -0.055 20 0 CBADLP Cc1nn(C)cc1C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000128240195 187359458 /nfs/dbraw/zinc/35/94/58/187359458.db2.gz SNCAZOPVAZHPHT-UHFFFAOYSA-N 2 2 265.361 -0.408 20 0 CBADLP Cc1nn(C)cc1C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000128240195 187359460 /nfs/dbraw/zinc/35/94/60/187359460.db2.gz SNCAZOPVAZHPHT-UHFFFAOYSA-N 2 2 265.361 -0.408 20 0 CBADLP C[C@H](O)C[NH+]1CCN(Cc2c[nH+]c(N(C)C)n2C)CC1 ZINC000425336503 290114569 /nfs/dbraw/zinc/11/45/69/290114569.db2.gz LINXHFADNLVZIO-LBPRGKRZSA-N 2 2 281.404 -0.016 20 0 CBADLP COC[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000127591099 187318423 /nfs/dbraw/zinc/31/84/23/187318423.db2.gz ONVDJOHICKRGKM-CHWSQXEVSA-N 2 2 285.388 -0.768 20 0 CBADLP COC[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000127591099 187318424 /nfs/dbraw/zinc/31/84/24/187318424.db2.gz ONVDJOHICKRGKM-CHWSQXEVSA-N 2 2 285.388 -0.768 20 0 CBADLP CC[NH+](CC)CCNC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(C)=O ZINC000339227231 215025011 /nfs/dbraw/zinc/02/50/11/215025011.db2.gz BTHWSZOBJOAWQF-CYBMUJFWSA-N 2 2 295.387 -0.085 20 0 CBADLP CC[NH+](CC)CCNC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(C)=O ZINC000339227231 215025014 /nfs/dbraw/zinc/02/50/14/215025014.db2.gz BTHWSZOBJOAWQF-CYBMUJFWSA-N 2 2 295.387 -0.085 20 0 CBADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](CC(=O)NCC(=O)N2CCCC2)C1 ZINC000351859346 219228569 /nfs/dbraw/zinc/22/85/69/219228569.db2.gz CYZOLZFZJSIPPF-NEPJUHHUSA-N 2 2 282.388 -0.606 20 0 CBADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)NCC(=O)N2CCCC2)C1 ZINC000351859346 219228571 /nfs/dbraw/zinc/22/85/71/219228571.db2.gz CYZOLZFZJSIPPF-NEPJUHHUSA-N 2 2 282.388 -0.606 20 0 CBADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)C1 ZINC000351862124 219230812 /nfs/dbraw/zinc/23/08/12/219230812.db2.gz NGXNGCREZDAQPM-OUAUKWLOSA-N 2 2 270.377 -0.752 20 0 CBADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)C1 ZINC000351862124 219230815 /nfs/dbraw/zinc/23/08/15/219230815.db2.gz NGXNGCREZDAQPM-OUAUKWLOSA-N 2 2 270.377 -0.752 20 0 CBADLP CC[N@H+](CCO)CCNC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000274528770 352539641 /nfs/dbraw/zinc/53/96/41/352539641.db2.gz YUKCOUATZKIJPY-LBPRGKRZSA-N 2 2 283.376 -0.115 20 0 CBADLP CC[N@@H+](CCO)CCNC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000274528770 352539645 /nfs/dbraw/zinc/53/96/45/352539645.db2.gz YUKCOUATZKIJPY-LBPRGKRZSA-N 2 2 283.376 -0.115 20 0 CBADLP CSCC[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000091669123 180224345 /nfs/dbraw/zinc/22/43/45/180224345.db2.gz ZSADYVGROYMPEP-UWVGGRQHSA-N 2 2 261.391 -0.486 20 0 CBADLP CSCC[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000091669123 180224346 /nfs/dbraw/zinc/22/43/46/180224346.db2.gz ZSADYVGROYMPEP-UWVGGRQHSA-N 2 2 261.391 -0.486 20 0 CBADLP CC[N@H+](C[C@@H](O)C[NH+](C)C1CC1)[C@@H]1CCNC1=O ZINC000352103458 219322713 /nfs/dbraw/zinc/32/27/13/219322713.db2.gz OSWRPJAXWOUSPQ-NWDGAFQWSA-N 2 2 255.362 -0.348 20 0 CBADLP CC[N@@H+](C[C@@H](O)C[NH+](C)C1CC1)[C@@H]1CCNC1=O ZINC000352103458 219322717 /nfs/dbraw/zinc/32/27/17/219322717.db2.gz OSWRPJAXWOUSPQ-NWDGAFQWSA-N 2 2 255.362 -0.348 20 0 CBADLP CC[NH+](C[C@@H](O)C[N@H+](C)C1CC1)[C@@H]1CCNC1=O ZINC000352103458 219322719 /nfs/dbraw/zinc/32/27/19/219322719.db2.gz OSWRPJAXWOUSPQ-NWDGAFQWSA-N 2 2 255.362 -0.348 20 0 CBADLP CC[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)[C@@H]1CCNC1=O ZINC000352103458 219322722 /nfs/dbraw/zinc/32/27/22/219322722.db2.gz OSWRPJAXWOUSPQ-NWDGAFQWSA-N 2 2 255.362 -0.348 20 0 CBADLP C[N@H+](CC(N)=O)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863085 186081459 /nfs/dbraw/zinc/08/14/59/186081459.db2.gz WZEFEEXBHUDODP-UHFFFAOYSA-N 2 2 265.361 -0.235 20 0 CBADLP C[N@@H+](CC(N)=O)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863085 186081460 /nfs/dbraw/zinc/08/14/60/186081460.db2.gz WZEFEEXBHUDODP-UHFFFAOYSA-N 2 2 265.361 -0.235 20 0 CBADLP Cn1cc[nH+]c1CC1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC000105875644 186081994 /nfs/dbraw/zinc/08/19/94/186081994.db2.gz IYWIRLCWRHPDNV-UHFFFAOYSA-N 2 2 279.344 -0.131 20 0 CBADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)[C@H]1CCOC1 ZINC000129952433 282707843 /nfs/dbraw/zinc/70/78/43/282707843.db2.gz MWKGFPGVTOZPDR-NEPJUHHUSA-N 2 2 255.362 -0.225 20 0 CBADLP C[C@@H]1C[C@@H]([NH+](C)CCNS(C)(=O)=O)CC[N@@H+]1C ZINC000123128983 297259090 /nfs/dbraw/zinc/25/90/90/297259090.db2.gz RZNKEAVDNQIKEV-MNOVXSKESA-N 2 2 263.407 -0.050 20 0 CBADLP C[C@@H]1C[C@@H]([NH+](C)CCNS(C)(=O)=O)CC[N@H+]1C ZINC000123128983 297259091 /nfs/dbraw/zinc/25/90/91/297259091.db2.gz RZNKEAVDNQIKEV-MNOVXSKESA-N 2 2 263.407 -0.050 20 0 CBADLP C[C@@H]1C[C@@H]([N@H+](C)CCNS(C)(=O)=O)CC[NH+]1C ZINC000123128983 297259092 /nfs/dbraw/zinc/25/90/92/297259092.db2.gz RZNKEAVDNQIKEV-MNOVXSKESA-N 2 2 263.407 -0.050 20 0 CBADLP C[C@@H]1C[C@@H]([N@@H+](C)CCNS(C)(=O)=O)CC[NH+]1C ZINC000123128983 297259093 /nfs/dbraw/zinc/25/90/93/297259093.db2.gz RZNKEAVDNQIKEV-MNOVXSKESA-N 2 2 263.407 -0.050 20 0 CBADLP CCOC(=O)CN(C)C(=O)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114479118 186627943 /nfs/dbraw/zinc/62/79/43/186627943.db2.gz CCZBECCNCQWNOZ-GFCCVEGCSA-N 2 2 285.388 -0.109 20 0 CBADLP CCOC(=O)CN(C)C(=O)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114479118 186627945 /nfs/dbraw/zinc/62/79/45/186627945.db2.gz CCZBECCNCQWNOZ-GFCCVEGCSA-N 2 2 285.388 -0.109 20 0 CBADLP CC[NH+]1CCN(C(=O)c2[nH]nc3c2C[NH2+]CC3)CC1 ZINC000034789305 351384949 /nfs/dbraw/zinc/38/49/49/351384949.db2.gz QGRDZZVWPAGYBB-UHFFFAOYSA-N 2 2 263.345 -0.167 20 0 CBADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(CCC[NH3+])CC1 ZINC000037037909 351397186 /nfs/dbraw/zinc/39/71/86/351397186.db2.gz FXDFAOXBDFVORG-CYBMUJFWSA-N 2 2 268.405 -0.036 20 0 CBADLP C[C@H](C(=O)N1CCCC1)N1CC[NH+](CCC[NH3+])CC1 ZINC000037037909 351397191 /nfs/dbraw/zinc/39/71/91/351397191.db2.gz FXDFAOXBDFVORG-CYBMUJFWSA-N 2 2 268.405 -0.036 20 0 CBADLP [NH3+]CCN1CC[NH+](CC(=O)NCc2ccccc2)CC1 ZINC000019688113 351350034 /nfs/dbraw/zinc/35/00/34/351350034.db2.gz PMOQFNXAWJGPIN-UHFFFAOYSA-N 2 2 276.384 -0.121 20 0 CBADLP NC(=O)[C@@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000042382574 351430432 /nfs/dbraw/zinc/43/04/32/351430432.db2.gz CXGYEDQALBMMHC-ZDUSSCGKSA-N 2 2 294.399 -0.321 20 0 CBADLP NC(=O)[C@@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000042382574 351430435 /nfs/dbraw/zinc/43/04/35/351430435.db2.gz CXGYEDQALBMMHC-ZDUSSCGKSA-N 2 2 294.399 -0.321 20 0 CBADLP O=C([C@@H]1C[NH2+]CCO1)N1CCN(c2cccc[nH+]2)CC1 ZINC000043707635 351442432 /nfs/dbraw/zinc/44/24/32/351442432.db2.gz MFALCYAUQWXLAI-LBPRGKRZSA-N 2 2 276.340 -0.281 20 0 CBADLP Cn1cc(C[NH2+][C@H]2CC[N@@H+](C3CC3)C2)c(=O)n(C)c1=O ZINC000044685411 351446813 /nfs/dbraw/zinc/44/68/13/351446813.db2.gz ILJAUZRNNNBLNC-NSHDSACASA-N 2 2 278.356 -0.590 20 0 CBADLP Cn1cc(C[NH2+][C@H]2CC[N@H+](C3CC3)C2)c(=O)n(C)c1=O ZINC000044685411 351446816 /nfs/dbraw/zinc/44/68/16/351446816.db2.gz ILJAUZRNNNBLNC-NSHDSACASA-N 2 2 278.356 -0.590 20 0 CBADLP C[C@@H]([NH3+])C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000040856519 351421408 /nfs/dbraw/zinc/42/14/08/351421408.db2.gz RBNMQGMSZPPPLO-SNVBAGLBSA-N 2 2 264.329 -0.118 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H](CO)C2)CC1 ZINC000049774059 351495690 /nfs/dbraw/zinc/49/56/90/351495690.db2.gz HUKBVIZHPWNVDQ-LBPRGKRZSA-N 2 2 255.362 -0.535 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H](CO)C2)CC1 ZINC000049774059 351495691 /nfs/dbraw/zinc/49/56/91/351495691.db2.gz HUKBVIZHPWNVDQ-LBPRGKRZSA-N 2 2 255.362 -0.535 20 0 CBADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000051762382 351512763 /nfs/dbraw/zinc/51/27/63/351512763.db2.gz HEDVPWHDCLZOPH-ZDUSSCGKSA-N 2 2 296.415 -0.297 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@@H](O)CN1CCOCC1 ZINC000049235175 351488228 /nfs/dbraw/zinc/48/82/28/351488228.db2.gz UZPICKRURJHBLA-CHWSQXEVSA-N 2 2 268.361 -0.446 20 0 CBADLP CCCCNC(=O)C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000049281089 351489873 /nfs/dbraw/zinc/48/98/73/351489873.db2.gz BDVFXPPVLLTDNH-UHFFFAOYSA-N 2 2 270.377 -0.734 20 0 CBADLP CCCCNC(=O)C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000049281089 351489876 /nfs/dbraw/zinc/48/98/76/351489876.db2.gz BDVFXPPVLLTDNH-UHFFFAOYSA-N 2 2 270.377 -0.734 20 0 CBADLP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CC[NH2+]CC2)CC1 ZINC000055084566 351541428 /nfs/dbraw/zinc/54/14/28/351541428.db2.gz KWGVKVDPJKQUII-UHFFFAOYSA-N 2 2 282.388 -0.782 20 0 CBADLP CCNC(=O)C[N@H+](C)CC(=O)NC1CC[NH+](CC)CC1 ZINC000052188092 351518072 /nfs/dbraw/zinc/51/80/72/351518072.db2.gz VKQNNQUNFUURPM-UHFFFAOYSA-N 2 2 284.404 -0.345 20 0 CBADLP CCNC(=O)C[N@@H+](C)CC(=O)NC1CC[NH+](CC)CC1 ZINC000052188092 351518074 /nfs/dbraw/zinc/51/80/74/351518074.db2.gz VKQNNQUNFUURPM-UHFFFAOYSA-N 2 2 284.404 -0.345 20 0 CBADLP CC[NH+]1CCC(NC(=O)C[N@H+](C)CC(=O)N(C)C)CC1 ZINC000061785221 351571464 /nfs/dbraw/zinc/57/14/64/351571464.db2.gz XRGFMPNYJJDWAC-UHFFFAOYSA-N 2 2 284.404 -0.393 20 0 CBADLP CC[NH+]1CCC(NC(=O)C[N@@H+](C)CC(=O)N(C)C)CC1 ZINC000061785221 351571467 /nfs/dbraw/zinc/57/14/67/351571467.db2.gz XRGFMPNYJJDWAC-UHFFFAOYSA-N 2 2 284.404 -0.393 20 0 CBADLP CC(C)(CNC(=O)[C@H]1CC[NH2+]C1)[NH+]1CCOCC1 ZINC000062115911 351574764 /nfs/dbraw/zinc/57/47/64/351574764.db2.gz HRIHPSRCYDQLLD-NSHDSACASA-N 2 2 255.362 -0.177 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@]1(C)CC[NH2+]C1 ZINC000062891868 351576724 /nfs/dbraw/zinc/57/67/24/351576724.db2.gz DXQLKKKSWAKMNO-WCQYABFASA-N 2 2 255.362 -0.177 20 0 CBADLP C[C@@]1(C(=O)NCC[NH+]2CCOCC2)CCC[NH2+]C1 ZINC000062852583 351576794 /nfs/dbraw/zinc/57/67/94/351576794.db2.gz GXWLNAUFUHZWMP-CYBMUJFWSA-N 2 2 255.362 -0.176 20 0 CBADLP CC[C@]1(C(=O)N2CC[NH+](CCO)CC2)CC[NH2+]C1 ZINC000062890560 351576808 /nfs/dbraw/zinc/57/68/08/351576808.db2.gz RFYJDTDUCQRBBM-ZDUSSCGKSA-N 2 2 255.362 -0.487 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000062891871 351576911 /nfs/dbraw/zinc/57/69/11/351576911.db2.gz DXQLKKKSWAKMNO-YPMHNXCESA-N 2 2 255.362 -0.177 20 0 CBADLP O=C([C@H]1CCC[NH2+]C1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000062976781 351577711 /nfs/dbraw/zinc/57/77/11/351577711.db2.gz QPJWNMWDZUBEPL-QWHCGFSZSA-N 2 2 267.373 -0.081 20 0 CBADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@@H]2C(N)=O)CC1 ZINC000066563578 351601131 /nfs/dbraw/zinc/60/11/31/351601131.db2.gz IIGDNWUPFZPEPY-CYBMUJFWSA-N 2 2 296.415 -0.073 20 0 CBADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@@H]2C(N)=O)CC1 ZINC000066563578 351601135 /nfs/dbraw/zinc/60/11/35/351601135.db2.gz IIGDNWUPFZPEPY-CYBMUJFWSA-N 2 2 296.415 -0.073 20 0 CBADLP CN(C)c1[nH+]cc(CNC[C@@H]2C[N@H+](C)CCN2C)n1C ZINC000070144284 351635633 /nfs/dbraw/zinc/63/56/33/351635633.db2.gz TUMUDQCULRYVIW-CYBMUJFWSA-N 2 2 280.420 -0.179 20 0 CBADLP CN(C)c1[nH+]cc(CNC[C@@H]2C[N@@H+](C)CCN2C)n1C ZINC000070144284 351635638 /nfs/dbraw/zinc/63/56/38/351635638.db2.gz TUMUDQCULRYVIW-CYBMUJFWSA-N 2 2 280.420 -0.179 20 0 CBADLP C[C@@H]1C[N@@H+](C2CC[NH+](CCC(=O)NC(N)=O)CC2)CCO1 ZINC000068520589 351619574 /nfs/dbraw/zinc/61/95/74/351619574.db2.gz SPYOWTZJGOHZRG-LLVKDONJSA-N 2 2 298.387 -0.244 20 0 CBADLP C[C@@H]1C[N@H+](C2CC[NH+](CCC(=O)NC(N)=O)CC2)CCO1 ZINC000068520589 351619579 /nfs/dbraw/zinc/61/95/79/351619579.db2.gz SPYOWTZJGOHZRG-LLVKDONJSA-N 2 2 298.387 -0.244 20 0 CBADLP O=S1(=O)CCC[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000069144325 351626046 /nfs/dbraw/zinc/62/60/46/351626046.db2.gz QUEOEYZFUYHFFU-RYUDHWBXSA-N 2 2 276.402 -0.390 20 0 CBADLP O[C@H](CN1CC[NH+](CC2CC2)CC1)C[NH+]1CCOCC1 ZINC000076517870 351677580 /nfs/dbraw/zinc/67/75/80/351677580.db2.gz OEXGCLUDUMCTBC-OAHLLOKOSA-N 2 2 283.416 -0.293 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000081432362 351706473 /nfs/dbraw/zinc/70/64/73/351706473.db2.gz LFNOYIOYPWKHEX-KGLIPLIRSA-N 2 2 299.415 -0.208 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000081432362 351706475 /nfs/dbraw/zinc/70/64/75/351706475.db2.gz LFNOYIOYPWKHEX-KGLIPLIRSA-N 2 2 299.415 -0.208 20 0 CBADLP CC[NH+]1CCN(C[C@H](O)C[NH+]2CCOCC2)CC1 ZINC000078434423 351685285 /nfs/dbraw/zinc/68/52/85/351685285.db2.gz FFKKAAYRLGLBPK-ZDUSSCGKSA-N 2 2 257.378 -0.683 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000081292996 351704457 /nfs/dbraw/zinc/70/44/57/351704457.db2.gz SSUCPTWSCLOFPT-ZYHUDNBSSA-N 2 2 253.346 -0.330 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000081292996 351704462 /nfs/dbraw/zinc/70/44/62/351704462.db2.gz SSUCPTWSCLOFPT-ZYHUDNBSSA-N 2 2 253.346 -0.330 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000081292996 351704466 /nfs/dbraw/zinc/70/44/66/351704466.db2.gz SSUCPTWSCLOFPT-ZYHUDNBSSA-N 2 2 253.346 -0.330 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000081292996 351704470 /nfs/dbraw/zinc/70/44/70/351704470.db2.gz SSUCPTWSCLOFPT-ZYHUDNBSSA-N 2 2 253.346 -0.330 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C[NH+]1CCN(C)CC1 ZINC000081396525 351705394 /nfs/dbraw/zinc/70/53/94/351705394.db2.gz CBCURDXRNCBGMT-UONOGXRCSA-N 2 2 298.431 -0.683 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C[NH+]1CCN(C)CC1 ZINC000081396525 351705399 /nfs/dbraw/zinc/70/53/99/351705399.db2.gz CBCURDXRNCBGMT-UONOGXRCSA-N 2 2 298.431 -0.683 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)CN1CC[NH+](C)CC1 ZINC000081396525 351705405 /nfs/dbraw/zinc/70/54/05/351705405.db2.gz CBCURDXRNCBGMT-UONOGXRCSA-N 2 2 298.431 -0.683 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)CN1CC[NH+](C)CC1 ZINC000081396525 351705409 /nfs/dbraw/zinc/70/54/09/351705409.db2.gz CBCURDXRNCBGMT-UONOGXRCSA-N 2 2 298.431 -0.683 20 0 CBADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)CC(=O)NC(N)=O ZINC000075860608 351672632 /nfs/dbraw/zinc/67/26/32/351672632.db2.gz ARAKQQDGDMOLDX-SNVBAGLBSA-N 2 2 256.350 -0.013 20 0 CBADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)CC(=O)NC(N)=O ZINC000075860608 351672638 /nfs/dbraw/zinc/67/26/38/351672638.db2.gz ARAKQQDGDMOLDX-SNVBAGLBSA-N 2 2 256.350 -0.013 20 0 CBADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)CC(=O)NC(N)=O ZINC000075860608 351672643 /nfs/dbraw/zinc/67/26/43/351672643.db2.gz ARAKQQDGDMOLDX-SNVBAGLBSA-N 2 2 256.350 -0.013 20 0 CBADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)CC(=O)NC(N)=O ZINC000075860608 351672647 /nfs/dbraw/zinc/67/26/47/351672647.db2.gz ARAKQQDGDMOLDX-SNVBAGLBSA-N 2 2 256.350 -0.013 20 0 CBADLP Cn1cc[nH+]c1N1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000085539045 351719078 /nfs/dbraw/zinc/71/90/78/351719078.db2.gz MCUYYJFFJGNAQX-LBPRGKRZSA-N 2 2 293.371 -0.601 20 0 CBADLP Cn1cc[nH+]c1N1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000085539045 351719082 /nfs/dbraw/zinc/71/90/82/351719082.db2.gz MCUYYJFFJGNAQX-LBPRGKRZSA-N 2 2 293.371 -0.601 20 0 CBADLP CC(C)C[C@@H](CNC(=O)[C@@H]1COCC[NH2+]1)[NH+]1CCOCC1 ZINC000088371648 351724896 /nfs/dbraw/zinc/72/48/96/351724896.db2.gz IUONSPVHVHTVKB-KBPBESRZSA-N 2 2 299.415 -0.162 20 0 CBADLP OCC1(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)COC1 ZINC000089129832 351728595 /nfs/dbraw/zinc/72/85/95/351728595.db2.gz SVIGRXCXTNQHLF-ZDUSSCGKSA-N 2 2 270.373 -0.351 20 0 CBADLP OCC1(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)COC1 ZINC000089129832 351728599 /nfs/dbraw/zinc/72/85/99/351728599.db2.gz SVIGRXCXTNQHLF-ZDUSSCGKSA-N 2 2 270.373 -0.351 20 0 CBADLP CNC(=O)CC[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000089926565 351735343 /nfs/dbraw/zinc/73/53/43/351735343.db2.gz XKEPHRAMGOJAAP-UHFFFAOYSA-N 2 2 251.334 -0.322 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C[C@H]1CSCC[NH2+]1 ZINC000091134732 351743807 /nfs/dbraw/zinc/74/38/07/351743807.db2.gz KLMBKWZHZBRILF-NEPJUHHUSA-N 2 2 287.429 -0.082 20 0 CBADLP CCC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)N2CCNC(=O)C2)C1 ZINC000081569582 351709105 /nfs/dbraw/zinc/70/91/05/351709105.db2.gz KJAQISIFPDPUEN-ZDUSSCGKSA-N 2 2 296.415 -0.392 20 0 CBADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)N2CCNC(=O)C2)C1 ZINC000081569582 351709108 /nfs/dbraw/zinc/70/91/08/351709108.db2.gz KJAQISIFPDPUEN-ZDUSSCGKSA-N 2 2 296.415 -0.392 20 0 CBADLP CCC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000081569582 351709110 /nfs/dbraw/zinc/70/91/10/351709110.db2.gz KJAQISIFPDPUEN-ZDUSSCGKSA-N 2 2 296.415 -0.392 20 0 CBADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000081569582 351709113 /nfs/dbraw/zinc/70/91/13/351709113.db2.gz KJAQISIFPDPUEN-ZDUSSCGKSA-N 2 2 296.415 -0.392 20 0 CBADLP O=C(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)NC(=O)NC1CC1 ZINC000107575554 351795178 /nfs/dbraw/zinc/79/51/78/351795178.db2.gz LURHHKMBPRDWQF-IUCAKERBSA-N 2 2 252.318 -0.874 20 0 CBADLP O=C(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)NC[C@@H]1CCCO1 ZINC000107576013 351795308 /nfs/dbraw/zinc/79/53/08/351795308.db2.gz IBUDVMTZZZOZAL-TUAOUCFPSA-N 2 2 253.346 -0.567 20 0 CBADLP O=C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)NC[C@@H]1CCCO1 ZINC000107576013 351795309 /nfs/dbraw/zinc/79/53/09/351795309.db2.gz IBUDVMTZZZOZAL-TUAOUCFPSA-N 2 2 253.346 -0.567 20 0 CBADLP CC1(C)NC(=O)N(CC[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)C1=O ZINC000107580245 351796002 /nfs/dbraw/zinc/79/60/02/351796002.db2.gz ZFIRFUIWXQDTMC-NXEZZACHSA-N 2 2 266.345 -0.532 20 0 CBADLP CC(C)CNC(=O)NC(=O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000107577399 351796166 /nfs/dbraw/zinc/79/61/66/351796166.db2.gz YVVCZVYYKMYMET-GHMZBOCLSA-N 2 2 268.361 -0.381 20 0 CBADLP CC(C)[NH+]1CCN(C(=O)CN2CC[NH+](C)CC2)CC1 ZINC000109944862 351798663 /nfs/dbraw/zinc/79/86/63/351798663.db2.gz LFWIEUDWZUYENB-UHFFFAOYSA-N 2 2 268.405 -0.214 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+](CCO)CC2CC2)CC1 ZINC000093159886 351757547 /nfs/dbraw/zinc/75/75/47/351757547.db2.gz SYOCFCCSWLQLJD-UHFFFAOYSA-N 2 2 255.362 -0.535 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+](CCO)CC2CC2)CC1 ZINC000093159886 351757550 /nfs/dbraw/zinc/75/75/50/351757550.db2.gz SYOCFCCSWLQLJD-UHFFFAOYSA-N 2 2 255.362 -0.535 20 0 CBADLP CC(C)[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H](C)O ZINC000093172823 351758454 /nfs/dbraw/zinc/75/84/54/351758454.db2.gz CYDDKKKJMCEXBE-LBPRGKRZSA-N 2 2 257.378 -0.148 20 0 CBADLP CC(C)[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H](C)O ZINC000093172823 351758456 /nfs/dbraw/zinc/75/84/56/351758456.db2.gz CYDDKKKJMCEXBE-LBPRGKRZSA-N 2 2 257.378 -0.148 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000094565890 351764335 /nfs/dbraw/zinc/76/43/35/351764335.db2.gz GIFFJTQXTGUOPC-UTUOFQBUSA-N 2 2 271.361 -0.670 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)COC1CC[NH2+]CC1 ZINC000111795531 351806105 /nfs/dbraw/zinc/80/61/05/351806105.db2.gz MVGLFIHVIHIGCW-GFCCVEGCSA-N 2 2 285.388 -0.408 20 0 CBADLP CC(C)OC[C@@H](O)C[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000120308645 351838895 /nfs/dbraw/zinc/83/88/95/351838895.db2.gz GVWNOMPFDAUMAN-ZDUSSCGKSA-N 2 2 287.404 -0.522 20 0 CBADLP C[NH+](C)C[C@H]1CC[N@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000113516319 351814651 /nfs/dbraw/zinc/81/46/51/351814651.db2.gz IGOGFMUDSNGNKJ-SNVBAGLBSA-N 2 2 268.361 -0.142 20 0 CBADLP C[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000113516319 351814656 /nfs/dbraw/zinc/81/46/56/351814656.db2.gz IGOGFMUDSNGNKJ-SNVBAGLBSA-N 2 2 268.361 -0.142 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000113516467 351815083 /nfs/dbraw/zinc/81/50/83/351815083.db2.gz COIGORWQVMWXBS-ZDUSSCGKSA-N 2 2 298.431 -0.146 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000113516467 351815084 /nfs/dbraw/zinc/81/50/84/351815084.db2.gz COIGORWQVMWXBS-ZDUSSCGKSA-N 2 2 298.431 -0.146 20 0 CBADLP C[C@@H](C(=O)N(CC[NH+](C)C)CC[NH+](C)C)S(C)(=O)=O ZINC000114688159 351817735 /nfs/dbraw/zinc/81/77/35/351817735.db2.gz GKBDDWXYUBFSSU-NSHDSACASA-N 2 2 293.433 -0.629 20 0 CBADLP O=C([C@@H](C1CC1)[NH+]1CCCC1)N1CC[NH+](CCO)CC1 ZINC000123269345 187081513 /nfs/dbraw/zinc/08/15/13/187081513.db2.gz XIFAMQOPXXZZRS-CQSZACIVSA-N 2 2 281.400 -0.003 20 0 CBADLP CNC(=O)CC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129465569 351870471 /nfs/dbraw/zinc/87/04/71/351870471.db2.gz RKKYMLRTHKGBIG-LBPRGKRZSA-N 2 2 255.362 -0.223 20 0 CBADLP CNC(=O)CC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129465569 351870473 /nfs/dbraw/zinc/87/04/73/351870473.db2.gz RKKYMLRTHKGBIG-LBPRGKRZSA-N 2 2 255.362 -0.223 20 0 CBADLP CN(C)c1[nH+]cc(C[NH2+]CCC(=O)N2CCOCC2)n1C ZINC000123777058 187108541 /nfs/dbraw/zinc/10/85/41/187108541.db2.gz APDMDFLFPODESC-UHFFFAOYSA-N 2 2 295.387 -0.175 20 0 CBADLP CC[C@@H]([NH3+])C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000130303278 351877794 /nfs/dbraw/zinc/87/77/94/351877794.db2.gz APNOZCAGPRGYTO-CYBMUJFWSA-N 2 2 296.415 -0.120 20 0 CBADLP CC[C@@H]([NH3+])C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000130303278 351877795 /nfs/dbraw/zinc/87/77/95/351877795.db2.gz APNOZCAGPRGYTO-CYBMUJFWSA-N 2 2 296.415 -0.120 20 0 CBADLP CC[N@H+](CC(=O)NCC[NH+]1CCOCC1)C1CC1 ZINC000130207297 351878045 /nfs/dbraw/zinc/87/80/45/351878045.db2.gz HXIWXJZCRNDOJW-UHFFFAOYSA-N 2 2 255.362 -0.081 20 0 CBADLP CC[N@@H+](CC(=O)NCC[NH+]1CCOCC1)C1CC1 ZINC000130207297 351878050 /nfs/dbraw/zinc/87/80/50/351878050.db2.gz HXIWXJZCRNDOJW-UHFFFAOYSA-N 2 2 255.362 -0.081 20 0 CBADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000139975295 351924826 /nfs/dbraw/zinc/92/48/26/351924826.db2.gz HIJMLOSALDZLHX-HBNTYKKESA-N 2 2 268.361 -0.014 20 0 CBADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000139975295 351924827 /nfs/dbraw/zinc/92/48/27/351924827.db2.gz HIJMLOSALDZLHX-HBNTYKKESA-N 2 2 268.361 -0.014 20 0 CBADLP C[C@@H](C(=O)NC(N)=O)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000139975295 351924828 /nfs/dbraw/zinc/92/48/28/351924828.db2.gz HIJMLOSALDZLHX-HBNTYKKESA-N 2 2 268.361 -0.014 20 0 CBADLP C[C@@H](C(=O)NC(N)=O)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000139975295 351924829 /nfs/dbraw/zinc/92/48/29/351924829.db2.gz HIJMLOSALDZLHX-HBNTYKKESA-N 2 2 268.361 -0.014 20 0 CBADLP CNC(=O)NC(=O)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150795161 351932318 /nfs/dbraw/zinc/93/23/18/351932318.db2.gz QYMQBPHFIKQMOL-LLVKDONJSA-N 2 2 268.361 -0.140 20 0 CBADLP CNC(=O)NC(=O)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150795161 351932320 /nfs/dbraw/zinc/93/23/20/351932320.db2.gz QYMQBPHFIKQMOL-LLVKDONJSA-N 2 2 268.361 -0.140 20 0 CBADLP C[C@]1(C(=O)N2CC[NH+](CCO)CC2)CCCC[NH2+]1 ZINC000133093147 351897565 /nfs/dbraw/zinc/89/75/65/351897565.db2.gz GPOGLYDGXGVIET-CYBMUJFWSA-N 2 2 255.362 -0.345 20 0 CBADLP C[NH+](C)C[C@@](C)(O)CNc1[nH+]cnc(-n2cccn2)c1N ZINC000133045862 351897602 /nfs/dbraw/zinc/89/76/02/351897602.db2.gz OZTUJFMMSUWUSE-ZDUSSCGKSA-N 2 2 291.359 -0.031 20 0 CBADLP C[N@H+](CC(=O)N1CC[NH+](CCO)CC1)[C@@H]1CCSC1 ZINC000154195411 351946190 /nfs/dbraw/zinc/94/61/90/351946190.db2.gz UPJKLKSJTZBVNS-GFCCVEGCSA-N 2 2 287.429 -0.440 20 0 CBADLP C[N@@H+](CC(=O)N1CC[NH+](CCO)CC1)[C@@H]1CCSC1 ZINC000154195411 351946194 /nfs/dbraw/zinc/94/61/94/351946194.db2.gz UPJKLKSJTZBVNS-GFCCVEGCSA-N 2 2 287.429 -0.440 20 0 CBADLP C[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000154286941 351946364 /nfs/dbraw/zinc/94/63/64/351946364.db2.gz XMUKRFXUWQWPDD-TXEJJXNPSA-N 2 2 255.362 -0.130 20 0 CBADLP C[C@@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000154286941 351946365 /nfs/dbraw/zinc/94/63/65/351946365.db2.gz XMUKRFXUWQWPDD-TXEJJXNPSA-N 2 2 255.362 -0.130 20 0 CBADLP CC[NH+](CC)CC(=O)N1CC[NH+](CCCNC(C)=O)CC1 ZINC000171684882 352014387 /nfs/dbraw/zinc/01/43/87/352014387.db2.gz KIWYQXYXLWKMSI-UHFFFAOYSA-N 2 2 298.431 -0.001 20 0 CBADLP CC(C)(CNC(=O)C[N@@H+]1CC[C@H](CO)C1)[NH+]1CCOCC1 ZINC000157400831 351955666 /nfs/dbraw/zinc/95/56/66/351955666.db2.gz JCYTUPCDSAKDCR-ZDUSSCGKSA-N 2 2 299.415 -0.472 20 0 CBADLP CC(C)(CNC(=O)C[N@H+]1CC[C@H](CO)C1)[NH+]1CCOCC1 ZINC000157400831 351955671 /nfs/dbraw/zinc/95/56/71/351955671.db2.gz JCYTUPCDSAKDCR-ZDUSSCGKSA-N 2 2 299.415 -0.472 20 0 CBADLP CNC(=O)NC(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158928280 351959767 /nfs/dbraw/zinc/95/97/67/351959767.db2.gz DAPXHFRXJRTXPP-GHMZBOCLSA-N 2 2 268.361 -0.142 20 0 CBADLP CNC(=O)NC(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158928280 351959768 /nfs/dbraw/zinc/95/97/68/351959768.db2.gz DAPXHFRXJRTXPP-GHMZBOCLSA-N 2 2 268.361 -0.142 20 0 CBADLP CNC(=O)NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158928280 351959772 /nfs/dbraw/zinc/95/97/72/351959772.db2.gz DAPXHFRXJRTXPP-GHMZBOCLSA-N 2 2 268.361 -0.142 20 0 CBADLP CNC(=O)NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158928280 351959774 /nfs/dbraw/zinc/95/97/74/351959774.db2.gz DAPXHFRXJRTXPP-GHMZBOCLSA-N 2 2 268.361 -0.142 20 0 CBADLP C[N@@H+]1CCN(C(=O)CC2CC[NH2+]CC2)[C@H](C[NH3+])C1 ZINC000162476068 351978338 /nfs/dbraw/zinc/97/83/38/351978338.db2.gz FZYNVDDLFGSDFV-GFCCVEGCSA-N 3 2 254.378 -0.523 20 0 CBADLP COC1(C(=O)NCC(C)(C)[NH+]2CCOCC2)CC[NH2+]CC1 ZINC000163546994 351981522 /nfs/dbraw/zinc/98/15/22/351981522.db2.gz VIHOKGCUOQRXGQ-UHFFFAOYSA-N 2 2 299.415 -0.018 20 0 CBADLP CCOCC[NH+]1CCN(C(=O)C[NH2+]CCOC)CC1 ZINC000164474000 351983341 /nfs/dbraw/zinc/98/33/41/351983341.db2.gz DYBNVOBTOLUPMF-UHFFFAOYSA-N 2 2 273.377 -0.597 20 0 CBADLP O=C(NCCc1cn2ccccc2[nH+]1)[C@@H]1C[NH2+]CCO1 ZINC000164237088 351983701 /nfs/dbraw/zinc/98/37/01/351983701.db2.gz SVJRTCGHGDIVEY-LBPRGKRZSA-N 2 2 274.324 -0.019 20 0 CBADLP C[C@H](CNC(=O)[C@H]1CSC[NH2+]1)C[NH+]1CCOCC1 ZINC000166594595 351987561 /nfs/dbraw/zinc/98/75/61/351987561.db2.gz BOVBYEFNIHBRDD-GHMZBOCLSA-N 2 2 273.402 -0.267 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1COCC[NH2+]1)C[NH+]1CCOCC1 ZINC000166592691 351987850 /nfs/dbraw/zinc/98/78/50/351987850.db2.gz YTSFZFBGWLLPCK-NEPJUHHUSA-N 2 2 271.361 -0.941 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000167014171 351988626 /nfs/dbraw/zinc/98/86/26/351988626.db2.gz DRGJWAFRRZXLFY-LBPRGKRZSA-N 2 2 280.372 -0.885 20 0 CBADLP C[C@H](NC(=O)C[C@@H]1C[NH2+]CCO1)[C@H](C)[NH+]1CCOCC1 ZINC000167691945 351989849 /nfs/dbraw/zinc/98/98/49/351989849.db2.gz BJVMHAPDGGQOLX-RWMBFGLXSA-N 2 2 285.388 -0.410 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000168661967 351994239 /nfs/dbraw/zinc/99/42/39/351994239.db2.gz UJSXZDXQCPEVNQ-NEPJUHHUSA-N 2 2 284.404 -0.360 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000168661967 351994243 /nfs/dbraw/zinc/99/42/43/351994243.db2.gz UJSXZDXQCPEVNQ-NEPJUHHUSA-N 2 2 284.404 -0.360 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH+]2CCOC(C)(C)C2)C1 ZINC000174462511 352046871 /nfs/dbraw/zinc/04/68/71/352046871.db2.gz OIINFUBGBJIPTG-GFCCVEGCSA-N 2 2 285.388 -0.456 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)NCC[NH+]2CCOC(C)(C)C2)C1 ZINC000174462511 352046874 /nfs/dbraw/zinc/04/68/74/352046874.db2.gz OIINFUBGBJIPTG-GFCCVEGCSA-N 2 2 285.388 -0.456 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)NCC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000174462511 352046875 /nfs/dbraw/zinc/04/68/75/352046875.db2.gz OIINFUBGBJIPTG-GFCCVEGCSA-N 2 2 285.388 -0.456 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)NCC[N@H+]2CCOC(C)(C)C2)C1 ZINC000174462511 352046880 /nfs/dbraw/zinc/04/68/80/352046880.db2.gz OIINFUBGBJIPTG-GFCCVEGCSA-N 2 2 285.388 -0.456 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH+]1CCOCC1 ZINC000174590776 352048455 /nfs/dbraw/zinc/04/84/55/352048455.db2.gz ZEUGIDVZSDTFPD-NEPJUHHUSA-N 2 2 271.361 -0.846 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH+]1CCOCC1 ZINC000174590776 352048460 /nfs/dbraw/zinc/04/84/60/352048460.db2.gz ZEUGIDVZSDTFPD-NEPJUHHUSA-N 2 2 271.361 -0.846 20 0 CBADLP CC(C)N(C)C(=O)[C@@H](C)[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000175085932 352053186 /nfs/dbraw/zinc/05/31/86/352053186.db2.gz QFGZPKMDDDQWBW-CYBMUJFWSA-N 2 2 298.431 -0.053 20 0 CBADLP Cn1c(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cc(=O)n(C)c1=O ZINC000172350159 352024125 /nfs/dbraw/zinc/02/41/25/352024125.db2.gz ISSHOZKDVCLDJZ-GFCCVEGCSA-N 2 2 294.399 -0.142 20 0 CBADLP Cn1c(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc(=O)n(C)c1=O ZINC000172350159 352024129 /nfs/dbraw/zinc/02/41/29/352024129.db2.gz ISSHOZKDVCLDJZ-GFCCVEGCSA-N 2 2 294.399 -0.142 20 0 CBADLP Cn1c(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc(=O)n(C)c1=O ZINC000172350159 352024132 /nfs/dbraw/zinc/02/41/32/352024132.db2.gz ISSHOZKDVCLDJZ-GFCCVEGCSA-N 2 2 294.399 -0.142 20 0 CBADLP Cn1c(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc(=O)n(C)c1=O ZINC000172350159 352024134 /nfs/dbraw/zinc/02/41/34/352024134.db2.gz ISSHOZKDVCLDJZ-GFCCVEGCSA-N 2 2 294.399 -0.142 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCO[C@H](COC)C2)CC1 ZINC000172890088 352032662 /nfs/dbraw/zinc/03/26/62/352032662.db2.gz ATWXQTVQVMDFBN-KBPBESRZSA-N 2 2 299.415 -0.114 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCO[C@H](COC)C2)CC1 ZINC000172890088 352032666 /nfs/dbraw/zinc/03/26/66/352032666.db2.gz ATWXQTVQVMDFBN-KBPBESRZSA-N 2 2 299.415 -0.114 20 0 CBADLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000178763626 352083639 /nfs/dbraw/zinc/08/36/39/352083639.db2.gz YSDUMQMAMIIGSE-NSHDSACASA-N 2 2 255.362 -0.035 20 0 CBADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000178763626 352083641 /nfs/dbraw/zinc/08/36/41/352083641.db2.gz YSDUMQMAMIIGSE-NSHDSACASA-N 2 2 255.362 -0.035 20 0 CBADLP COCC[NH2+]CC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000178763941 352083965 /nfs/dbraw/zinc/08/39/65/352083965.db2.gz JKFLLIIDLISOAF-UHFFFAOYSA-N 2 2 273.377 -0.551 20 0 CBADLP COCC[NH2+]CC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000178763941 352083967 /nfs/dbraw/zinc/08/39/67/352083967.db2.gz JKFLLIIDLISOAF-UHFFFAOYSA-N 2 2 273.377 -0.551 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@H]2CC[NH2+]C2)C[C@H]1[NH+]1CCOCC1 ZINC000178862193 352084740 /nfs/dbraw/zinc/08/47/40/352084740.db2.gz KLYGZHBWXUPKCB-JHJVBQTASA-N 2 2 267.373 -0.225 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CCO2)C[C@H]1[NH+]1CCOCC1 ZINC000178861891 352084964 /nfs/dbraw/zinc/08/49/64/352084964.db2.gz CCUBOSBKJIFLRB-UPJWGTAASA-N 2 2 283.372 -0.846 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CCO2)C[C@@H]1[NH+]1CCOCC1 ZINC000178861882 352085068 /nfs/dbraw/zinc/08/50/68/352085068.db2.gz CCUBOSBKJIFLRB-AGIUHOORSA-N 2 2 283.372 -0.846 20 0 CBADLP C[C@H](C(=O)NC[C@@H]1C[NH+]2CCN1CC2)[NH+]1CCSCC1 ZINC000179185786 352088383 /nfs/dbraw/zinc/08/83/83/352088383.db2.gz AAFVMXAEPCVOPN-CHWSQXEVSA-N 2 2 298.456 -0.460 20 0 CBADLP COCC[N@H+](C)CCC[NH2+][C@H](C)CS(C)(=O)=O ZINC000182399826 352104325 /nfs/dbraw/zinc/10/43/25/352104325.db2.gz NJNUSTUNSCSYMH-LLVKDONJSA-N 2 2 266.407 -0.023 20 0 CBADLP COCC[N@@H+](C)CCC[NH2+][C@H](C)CS(C)(=O)=O ZINC000182399826 352104327 /nfs/dbraw/zinc/10/43/27/352104327.db2.gz NJNUSTUNSCSYMH-LLVKDONJSA-N 2 2 266.407 -0.023 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000188703047 352155769 /nfs/dbraw/zinc/15/57/69/352155769.db2.gz OYLNFBJEXFUHEP-WDEREUQCSA-N 2 2 259.325 -0.523 20 0 CBADLP CNC(=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000192464695 352197889 /nfs/dbraw/zinc/19/78/89/352197889.db2.gz LWFDCWQRRHTFDW-UHFFFAOYSA-N 2 2 282.388 -0.782 20 0 CBADLP C[N@@H+]1CCO[C@@H](CNS(=O)(=O)CC[NH+]2CCCC2)C1 ZINC000189425506 352169714 /nfs/dbraw/zinc/16/97/14/352169714.db2.gz MVPFZDQIFOUWDD-LBPRGKRZSA-N 2 2 291.417 -0.668 20 0 CBADLP C[N@H+]1CCO[C@@H](CNS(=O)(=O)CC[NH+]2CCCC2)C1 ZINC000189425506 352169717 /nfs/dbraw/zinc/16/97/17/352169717.db2.gz MVPFZDQIFOUWDD-LBPRGKRZSA-N 2 2 291.417 -0.668 20 0 CBADLP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C[NH+](C)C ZINC000190121560 352177692 /nfs/dbraw/zinc/17/76/92/352177692.db2.gz ZYTMDUZMAXDCLR-NSHDSACASA-N 2 2 257.378 -0.148 20 0 CBADLP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C[NH+](C)C ZINC000190121560 352177694 /nfs/dbraw/zinc/17/76/94/352177694.db2.gz ZYTMDUZMAXDCLR-NSHDSACASA-N 2 2 257.378 -0.148 20 0 CBADLP C[C@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)[C@H](C(N)=O)C1 ZINC000187417947 352140123 /nfs/dbraw/zinc/14/01/23/352140123.db2.gz DSYKCAWBELNYND-RYUDHWBXSA-N 2 2 282.388 -0.654 20 0 CBADLP C[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)[C@H](C(N)=O)C1 ZINC000187417947 352140127 /nfs/dbraw/zinc/14/01/27/352140127.db2.gz DSYKCAWBELNYND-RYUDHWBXSA-N 2 2 282.388 -0.654 20 0 CBADLP COCC[N@@H+]1CCN(C(=O)[C@H]2C[C@H](OC)C[NH2+]2)C[C@@H]1C ZINC000187950861 352144236 /nfs/dbraw/zinc/14/42/36/352144236.db2.gz WOBXOJSPWOGALJ-RWMBFGLXSA-N 2 2 285.388 -0.458 20 0 CBADLP COCC[N@H+]1CCN(C(=O)[C@H]2C[C@H](OC)C[NH2+]2)C[C@@H]1C ZINC000187950861 352144240 /nfs/dbraw/zinc/14/42/40/352144240.db2.gz WOBXOJSPWOGALJ-RWMBFGLXSA-N 2 2 285.388 -0.458 20 0 CBADLP COC[C@@H](C)C[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000188268726 352149861 /nfs/dbraw/zinc/14/98/61/352149861.db2.gz XTOSXBUGUSXILY-KBPBESRZSA-N 2 2 299.415 -0.208 20 0 CBADLP C[C@H](NC(=O)N[C@H]1CC[NH2+]C1)[C@H](C)[NH+]1CCOCC1 ZINC000333403286 299186452 /nfs/dbraw/zinc/18/64/52/299186452.db2.gz QGAKKAJPQSTOMJ-SRVKXCTJSA-N 2 2 270.377 -0.243 20 0 CBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1COCCO1 ZINC000193620044 352207093 /nfs/dbraw/zinc/20/70/93/352207093.db2.gz NVQFYYXNAVOHKC-CQSZACIVSA-N 2 2 299.415 -0.114 20 0 CBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1COCCO1 ZINC000193620044 352207098 /nfs/dbraw/zinc/20/70/98/352207098.db2.gz NVQFYYXNAVOHKC-CQSZACIVSA-N 2 2 299.415 -0.114 20 0 CBADLP CO[C@H](C[NH3+])C(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000227367353 352257112 /nfs/dbraw/zinc/25/71/12/352257112.db2.gz NSUCINSYYZYODS-CYBMUJFWSA-N 2 2 278.356 -0.301 20 0 CBADLP COc1c(N)[nH+]cnc1N1CCC[N@H+](CCO)CC1 ZINC000227382551 352257400 /nfs/dbraw/zinc/25/74/00/352257400.db2.gz YONBOWNYKVHVGV-UHFFFAOYSA-N 2 2 267.333 -0.428 20 0 CBADLP COc1c(N)[nH+]cnc1N1CCC[N@@H+](CCO)CC1 ZINC000227382551 352257403 /nfs/dbraw/zinc/25/74/03/352257403.db2.gz YONBOWNYKVHVGV-UHFFFAOYSA-N 2 2 267.333 -0.428 20 0 CBADLP CN1CC[N@H+](C)[C@@H](CNC(=O)C[C@@H]2CSCC[NH2+]2)C1 ZINC000227555081 352258286 /nfs/dbraw/zinc/25/82/86/352258286.db2.gz WSLCLIAHWUGMMX-NEPJUHHUSA-N 2 2 286.445 -0.557 20 0 CBADLP CN1CC[N@@H+](C)[C@@H](CNC(=O)C[C@@H]2CSCC[NH2+]2)C1 ZINC000227555081 352258287 /nfs/dbraw/zinc/25/82/87/352258287.db2.gz WSLCLIAHWUGMMX-NEPJUHHUSA-N 2 2 286.445 -0.557 20 0 CBADLP COC[C@H](O)CC[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000230136682 352271556 /nfs/dbraw/zinc/27/15/56/352271556.db2.gz GAQJAPQQCOKUDF-LLVKDONJSA-N 2 2 256.350 -0.027 20 0 CBADLP CC[NH+]1CCN(C(=O)NCC[NH+]2CCOCC2)CC1 ZINC000240822713 352316213 /nfs/dbraw/zinc/31/62/13/352316213.db2.gz BDIXKPSLFFCINV-UHFFFAOYSA-N 2 2 270.377 -0.334 20 0 CBADLP CC[NH+]1CCN(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000243831241 352316222 /nfs/dbraw/zinc/31/62/22/352316222.db2.gz QYWAXERXEMORHR-UHFFFAOYSA-N 2 2 268.405 -0.212 20 0 CBADLP CO[C@H](C[NH3+])CC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000232120336 352279494 /nfs/dbraw/zinc/27/94/94/352279494.db2.gz RIVLDYLWCRUMAN-NEPJUHHUSA-N 2 2 271.361 -0.717 20 0 CBADLP COCC1(C(=O)N[C@@H](C)C[NH+]2CCOCC2)CC[NH2+]CC1 ZINC000234667975 352283508 /nfs/dbraw/zinc/28/35/08/352283508.db2.gz YAUFLLZJLBPDHQ-ZDUSSCGKSA-N 2 2 299.415 -0.161 20 0 CBADLP CC(C)C[NH+]1CCN(C(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000236775793 352292730 /nfs/dbraw/zinc/29/27/30/352292730.db2.gz RQATWAVUWHYFDH-UHFFFAOYSA-N 2 2 282.388 -0.782 20 0 CBADLP CC(C)[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000236757437 352293197 /nfs/dbraw/zinc/29/31/97/352293197.db2.gz FNUOTWIWDAAYDF-NEPJUHHUSA-N 2 2 255.362 -0.051 20 0 CBADLP CC(C)[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000236757437 352293200 /nfs/dbraw/zinc/29/32/00/352293200.db2.gz FNUOTWIWDAAYDF-NEPJUHHUSA-N 2 2 255.362 -0.051 20 0 CBADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000237025863 352297813 /nfs/dbraw/zinc/29/78/13/352297813.db2.gz CCCPATWBYDHATA-UHFFFAOYSA-N 2 2 298.431 -0.001 20 0 CBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C)[NH3+])CC1 ZINC000237025231 352297915 /nfs/dbraw/zinc/29/79/15/352297915.db2.gz YCVLXOGZELOLQQ-GFCCVEGCSA-N 2 2 284.404 -0.264 20 0 CBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@@H](C)[NH3+])CC1 ZINC000237025231 352297918 /nfs/dbraw/zinc/29/79/18/352297918.db2.gz YCVLXOGZELOLQQ-GFCCVEGCSA-N 2 2 284.404 -0.264 20 0 CBADLP C[N@H+](CCNC(=O)CN1CC[NH2+]CC1=O)C1CCCCC1 ZINC000237142442 352300248 /nfs/dbraw/zinc/30/02/48/352300248.db2.gz VUNAWMWBGLKUJQ-UHFFFAOYSA-N 2 2 296.415 -0.201 20 0 CBADLP C[N@@H+](CCNC(=O)CN1CC[NH2+]CC1=O)C1CCCCC1 ZINC000237142442 352300252 /nfs/dbraw/zinc/30/02/52/352300252.db2.gz VUNAWMWBGLKUJQ-UHFFFAOYSA-N 2 2 296.415 -0.201 20 0 CBADLP C[NH2+]CC(=O)N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC000237204544 352301218 /nfs/dbraw/zinc/30/12/18/352301218.db2.gz MEDMBBHYURPOCZ-GFCCVEGCSA-N 2 2 282.388 -0.639 20 0 CBADLP C[NH2+]CC(=O)N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC000237200517 352301463 /nfs/dbraw/zinc/30/14/63/352301463.db2.gz JFUKJUFETAFIEO-CYBMUJFWSA-N 2 2 296.415 -0.249 20 0 CBADLP CSCC[C@@H]([NH3+])C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000237275717 352302070 /nfs/dbraw/zinc/30/20/70/352302070.db2.gz GWWDLTPHKPVDGD-WDEREUQCSA-N 2 2 275.418 -0.096 20 0 CBADLP C[NH2+]C[C@H](C)C(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000237301896 352303149 /nfs/dbraw/zinc/30/31/49/352303149.db2.gz XLYQYUFFHPMLDT-NWDGAFQWSA-N 2 2 296.415 -0.347 20 0 CBADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)C[NH3+])CC1 ZINC000237396313 352303743 /nfs/dbraw/zinc/30/37/43/352303743.db2.gz BIFQFFZOFJIBKN-LLVKDONJSA-N 2 2 268.361 -0.900 20 0 CBADLP C[C@H]([NH3+])[C@H]1CCCN(C(=O)CN2CC[NH2+]CC2=O)C1 ZINC000237412680 352304623 /nfs/dbraw/zinc/30/46/23/352304623.db2.gz OHJMCRMPUWOWEN-QWRGUYRKSA-N 2 2 268.361 -0.996 20 0 CBADLP C[C@H]1CCC[N@H+](CCNC(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000237498733 352305812 /nfs/dbraw/zinc/30/58/12/352305812.db2.gz BCGIKHSFTMEAAK-RYUDHWBXSA-N 2 2 255.362 -0.177 20 0 CBADLP C[C@H]1CCC[N@@H+](CCNC(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000237498733 352305814 /nfs/dbraw/zinc/30/58/14/352305814.db2.gz BCGIKHSFTMEAAK-RYUDHWBXSA-N 2 2 255.362 -0.177 20 0 CBADLP C[C@@H]1C[NH+](CCCNC(=O)[C@H]2COCC[NH2+]2)C[C@@H](C)O1 ZINC000237506633 352306222 /nfs/dbraw/zinc/30/62/22/352306222.db2.gz PTWLFCABFQEFNI-JHJVBQTASA-N 2 2 285.388 -0.410 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1COCC[NH2+]1)Cn1cc[nH+]c1 ZINC000237576101 352307433 /nfs/dbraw/zinc/30/74/33/352307433.db2.gz ZCXVICVHCOEVDR-QWRGUYRKSA-N 2 2 252.318 -0.376 20 0 CBADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)[C@H]2COCC[NH2+]2)C[C@H](C)O1 ZINC000237656322 352308127 /nfs/dbraw/zinc/30/81/27/352308127.db2.gz NQSXNLOSSBLFTN-FRRDWIJNSA-N 2 2 299.415 -0.021 20 0 CBADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)[C@H]2COCC[NH2+]2)C[C@H](C)O1 ZINC000237656322 352308130 /nfs/dbraw/zinc/30/81/30/352308130.db2.gz NQSXNLOSSBLFTN-FRRDWIJNSA-N 2 2 299.415 -0.021 20 0 CBADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)NCC(=O)OC)C1 ZINC000245449711 352320361 /nfs/dbraw/zinc/32/03/61/352320361.db2.gz NZBGLSDSIIRTMS-VXGBXAGGSA-N 2 2 285.388 -0.062 20 0 CBADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)NCC(=O)OC)C1 ZINC000245449711 352320365 /nfs/dbraw/zinc/32/03/65/352320365.db2.gz NZBGLSDSIIRTMS-VXGBXAGGSA-N 2 2 285.388 -0.062 20 0 CBADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)C(=O)NCC(=O)OC)C1 ZINC000245449711 352320367 /nfs/dbraw/zinc/32/03/67/352320367.db2.gz NZBGLSDSIIRTMS-VXGBXAGGSA-N 2 2 285.388 -0.062 20 0 CBADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)C(=O)NCC(=O)OC)C1 ZINC000245449711 352320370 /nfs/dbraw/zinc/32/03/70/352320370.db2.gz NZBGLSDSIIRTMS-VXGBXAGGSA-N 2 2 285.388 -0.062 20 0 CBADLP O=C(C[NH2+]C[C@@H]1CCCO1)NCCn1cc[nH+]c1 ZINC000237900579 352311346 /nfs/dbraw/zinc/31/13/46/352311346.db2.gz DLEIEDBOHIKUKI-NSHDSACASA-N 2 2 252.318 -0.232 20 0 CBADLP [NH3+]CCCNC(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000238073923 352313742 /nfs/dbraw/zinc/31/37/42/352313742.db2.gz JNXGSEXBPSHAQC-UHFFFAOYSA-N 2 2 277.372 -0.331 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@](C)(O)C2)CC1 ZINC000248372328 352351567 /nfs/dbraw/zinc/35/15/67/352351567.db2.gz ZUMCEAPEEHHLRS-JSGCOSHPSA-N 2 2 269.389 -0.004 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@](C)(O)C2)CC1 ZINC000248372328 352351569 /nfs/dbraw/zinc/35/15/69/352351569.db2.gz ZUMCEAPEEHHLRS-JSGCOSHPSA-N 2 2 269.389 -0.004 20 0 CBADLP C[C@H](O)C[N@@H+]1CCN(C(=O)NCCn2cc[nH+]c2)C[C@@H]1C ZINC000245909205 352325952 /nfs/dbraw/zinc/32/59/52/352325952.db2.gz UXYRFISLTRFYSQ-STQMWFEESA-N 2 2 295.387 -0.020 20 0 CBADLP C[C@H](O)C[N@H+]1CCN(C(=O)NCCn2cc[nH+]c2)C[C@@H]1C ZINC000245909205 352325957 /nfs/dbraw/zinc/32/59/57/352325957.db2.gz UXYRFISLTRFYSQ-STQMWFEESA-N 2 2 295.387 -0.020 20 0 CBADLP C[C@@H]1CN(C(=O)[C@H]2CC[NH2+]C2)C[C@@H]1[NH+]1CCOCC1 ZINC000246257025 352330420 /nfs/dbraw/zinc/33/04/20/352330420.db2.gz KLYGZHBWXUPKCB-AGIUHOORSA-N 2 2 267.373 -0.225 20 0 CBADLP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H]2CSC[NH2+]2)C[C@H]1C ZINC000246501546 352334065 /nfs/dbraw/zinc/33/40/65/352334065.db2.gz PWHCTPYAFKEBOY-OUAUKWLOSA-N 2 2 273.402 -0.438 20 0 CBADLP C[C@H](O)C[N@H+]1CCN(C(=O)[C@H]2CSC[NH2+]2)C[C@H]1C ZINC000246501546 352334068 /nfs/dbraw/zinc/33/40/68/352334068.db2.gz PWHCTPYAFKEBOY-OUAUKWLOSA-N 2 2 273.402 -0.438 20 0 CBADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCC(=O)OC)[C@@H](C)C1 ZINC000246868998 352340011 /nfs/dbraw/zinc/34/00/11/352340011.db2.gz PYPIYAFDGYSTEO-RYUDHWBXSA-N 2 2 285.388 -0.062 20 0 CBADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCC(=O)OC)[C@@H](C)C1 ZINC000246868998 352340014 /nfs/dbraw/zinc/34/00/14/352340014.db2.gz PYPIYAFDGYSTEO-RYUDHWBXSA-N 2 2 285.388 -0.062 20 0 CBADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCC(=O)OC)[C@@H](C)C1 ZINC000246868998 352340017 /nfs/dbraw/zinc/34/00/17/352340017.db2.gz PYPIYAFDGYSTEO-RYUDHWBXSA-N 2 2 285.388 -0.062 20 0 CBADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCC(=O)OC)[C@@H](C)C1 ZINC000246868998 352340020 /nfs/dbraw/zinc/34/00/20/352340020.db2.gz PYPIYAFDGYSTEO-RYUDHWBXSA-N 2 2 285.388 -0.062 20 0 CBADLP COC(=O)[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)C[C@H]1C ZINC000249138102 352361073 /nfs/dbraw/zinc/36/10/73/352361073.db2.gz VUBGVXHBZXLNMJ-CHWSQXEVSA-N 2 2 297.399 -0.109 20 0 CBADLP COC(=O)[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C[C@H]1C ZINC000249138102 352361078 /nfs/dbraw/zinc/36/10/78/352361078.db2.gz VUBGVXHBZXLNMJ-CHWSQXEVSA-N 2 2 297.399 -0.109 20 0 CBADLP C[C@@H]1CN(C(=O)[C@H]2C[NH+](C)CCO2)CC[N@@H+]1CC(C)(C)O ZINC000249419098 352365418 /nfs/dbraw/zinc/36/54/18/352365418.db2.gz WUXBFAZEEDOQIR-CHWSQXEVSA-N 2 2 299.415 -0.379 20 0 CBADLP C[C@@H]1CN(C(=O)[C@H]2C[NH+](C)CCO2)CC[N@H+]1CC(C)(C)O ZINC000249419098 352365419 /nfs/dbraw/zinc/36/54/19/352365419.db2.gz WUXBFAZEEDOQIR-CHWSQXEVSA-N 2 2 299.415 -0.379 20 0 CBADLP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)CC[NH+]1CC(C)(C)O ZINC000249419098 352365421 /nfs/dbraw/zinc/36/54/21/352365421.db2.gz WUXBFAZEEDOQIR-CHWSQXEVSA-N 2 2 299.415 -0.379 20 0 CBADLP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC[NH+]1CC(C)(C)O ZINC000249419098 352365425 /nfs/dbraw/zinc/36/54/25/352365425.db2.gz WUXBFAZEEDOQIR-CHWSQXEVSA-N 2 2 299.415 -0.379 20 0 CBADLP C[C@@H]1CN(CC[N@H+]2CCOC[C@H]2C)CC[NH+]1CCO ZINC000249607587 352369663 /nfs/dbraw/zinc/36/96/63/352369663.db2.gz RNFMVTMDAFFRSR-ZIAGYGMSSA-N 2 2 271.405 -0.295 20 0 CBADLP C[C@@H]1CN(CC[N@@H+]2CCOC[C@H]2C)CC[NH+]1CCO ZINC000249607587 352369665 /nfs/dbraw/zinc/36/96/65/352369665.db2.gz RNFMVTMDAFFRSR-ZIAGYGMSSA-N 2 2 271.405 -0.295 20 0 CBADLP C[C@@H]1COCC[NH+]1CCN1CC[N@H+](CCO)[C@H](C)C1 ZINC000249607587 352369669 /nfs/dbraw/zinc/36/96/69/352369669.db2.gz RNFMVTMDAFFRSR-ZIAGYGMSSA-N 2 2 271.405 -0.295 20 0 CBADLP C[C@@H]1COCC[NH+]1CCN1CC[N@@H+](CCO)[C@H](C)C1 ZINC000249607587 352369671 /nfs/dbraw/zinc/36/96/71/352369671.db2.gz RNFMVTMDAFFRSR-ZIAGYGMSSA-N 2 2 271.405 -0.295 20 0 CBADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]C[C@H](O)C(F)(F)F ZINC000250418907 352372162 /nfs/dbraw/zinc/37/21/62/352372162.db2.gz YRWAQQUPLWAHHO-IUCAKERBSA-N 2 2 255.284 -0.255 20 0 CBADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]C[C@H](O)C(F)(F)F ZINC000250418907 352372165 /nfs/dbraw/zinc/37/21/65/352372165.db2.gz YRWAQQUPLWAHHO-IUCAKERBSA-N 2 2 255.284 -0.255 20 0 CBADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CCCO2)C1 ZINC000250738749 352373906 /nfs/dbraw/zinc/37/39/06/352373906.db2.gz MDYIOQNCDGWLIS-NWDGAFQWSA-N 2 2 255.362 -0.177 20 0 CBADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2CCCO2)C1 ZINC000250738749 352373909 /nfs/dbraw/zinc/37/39/09/352373909.db2.gz MDYIOQNCDGWLIS-NWDGAFQWSA-N 2 2 255.362 -0.177 20 0 CBADLP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@H]1COCC[NH2+]1 ZINC000251842594 352376040 /nfs/dbraw/zinc/37/60/40/352376040.db2.gz QPMPXDNCFDUXRE-WOPDTQHZSA-N 2 2 253.346 -0.330 20 0 CBADLP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@@H]1COCC[NH2+]1 ZINC000251842594 352376041 /nfs/dbraw/zinc/37/60/41/352376041.db2.gz QPMPXDNCFDUXRE-WOPDTQHZSA-N 2 2 253.346 -0.330 20 0 CBADLP O=C1CCC(=O)N1CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261572502 352388678 /nfs/dbraw/zinc/38/86/78/352388678.db2.gz LQNPXKCYKXTXCI-QWRGUYRKSA-N 2 2 251.330 -0.181 20 0 CBADLP O=C1CCC(=O)N1CC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261572502 352388680 /nfs/dbraw/zinc/38/86/80/352388680.db2.gz LQNPXKCYKXTXCI-QWRGUYRKSA-N 2 2 251.330 -0.181 20 0 CBADLP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)NC(=O)NC1CC1 ZINC000261585705 352389878 /nfs/dbraw/zinc/38/98/78/352389878.db2.gz IODKJQRUNGLUFU-VHSXEESVSA-N 2 2 266.345 -0.484 20 0 CBADLP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)NC(=O)NC1CC1 ZINC000261585705 352389880 /nfs/dbraw/zinc/38/98/80/352389880.db2.gz IODKJQRUNGLUFU-VHSXEESVSA-N 2 2 266.345 -0.484 20 0 CBADLP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261589860 352390121 /nfs/dbraw/zinc/39/01/21/352390121.db2.gz LBDUYNRSGATYNQ-MFKMUULPSA-N 2 2 268.361 -0.094 20 0 CBADLP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261589860 352390124 /nfs/dbraw/zinc/39/01/24/352390124.db2.gz LBDUYNRSGATYNQ-MFKMUULPSA-N 2 2 268.361 -0.094 20 0 CBADLP C[C@@]1(C[NH3+])CC[N@H+](CC(=O)NCC(=O)N2CCCC2)C1 ZINC000261603866 352390567 /nfs/dbraw/zinc/39/05/67/352390567.db2.gz AIQUSWDOFVSWIC-AWEZNQCLSA-N 2 2 282.388 -0.604 20 0 CBADLP C[C@@]1(C[NH3+])CC[N@@H+](CC(=O)NCC(=O)N2CCCC2)C1 ZINC000261603866 352390569 /nfs/dbraw/zinc/39/05/69/352390569.db2.gz AIQUSWDOFVSWIC-AWEZNQCLSA-N 2 2 282.388 -0.604 20 0 CBADLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261612890 352391066 /nfs/dbraw/zinc/39/10/66/352391066.db2.gz BNJOROWVYKNBRT-NEPJUHHUSA-N 2 2 285.388 -0.280 20 0 CBADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261612890 352391070 /nfs/dbraw/zinc/39/10/70/352391070.db2.gz BNJOROWVYKNBRT-NEPJUHHUSA-N 2 2 285.388 -0.280 20 0 CBADLP CC(C)CNC(=O)C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261622606 352392241 /nfs/dbraw/zinc/39/22/41/352392241.db2.gz UYODBSRUAZJRCR-CYBMUJFWSA-N 2 2 268.405 -0.262 20 0 CBADLP C[C@H]([NH3+])CC(=O)N1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000261763910 352395420 /nfs/dbraw/zinc/39/54/20/352395420.db2.gz IGLIMEYZZOCOBH-ZDUSSCGKSA-N 2 2 296.415 -0.120 20 0 CBADLP CCN(CC)C(=O)C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000261822291 352397180 /nfs/dbraw/zinc/39/71/80/352397180.db2.gz UQBXWGBDJHWXMN-CYBMUJFWSA-N 2 2 296.415 -0.249 20 0 CBADLP CCN(CC)C(=O)C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000261822291 352397182 /nfs/dbraw/zinc/39/71/82/352397182.db2.gz UQBXWGBDJHWXMN-CYBMUJFWSA-N 2 2 296.415 -0.249 20 0 CBADLP C[C@H](O)C(=O)N1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000261877511 352398454 /nfs/dbraw/zinc/39/84/54/352398454.db2.gz QIAJFBJTMHBNDJ-AAEUAGOBSA-N 2 2 255.362 -0.489 20 0 CBADLP O=C(C1C[NH2+]C1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000262275622 352413228 /nfs/dbraw/zinc/41/32/28/352413228.db2.gz UUQVDTCJLLEZIB-GFCCVEGCSA-N 2 2 253.346 -0.471 20 0 CBADLP COC[C@H]([NH3+])C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000262327050 352416352 /nfs/dbraw/zinc/41/63/52/352416352.db2.gz RDAOZJSGEQMHQS-RYUDHWBXSA-N 2 2 271.361 -0.717 20 0 CBADLP CC1(C)C[N@H+](CCNC(=O)C[C@H]2COCC[NH2+]2)CCO1 ZINC000262362557 352418449 /nfs/dbraw/zinc/41/84/49/352418449.db2.gz KPMMGIYTMWIKFP-LBPRGKRZSA-N 2 2 285.388 -0.408 20 0 CBADLP CC1(C)C[N@@H+](CCNC(=O)C[C@H]2COCC[NH2+]2)CCO1 ZINC000262362557 352418453 /nfs/dbraw/zinc/41/84/53/352418453.db2.gz KPMMGIYTMWIKFP-LBPRGKRZSA-N 2 2 285.388 -0.408 20 0 CBADLP CC(C)[C@H](CNC(=O)[C@H]1C[C@H](O)C[NH2+]1)[NH+]1CCOCC1 ZINC000262498305 352424533 /nfs/dbraw/zinc/42/45/33/352424533.db2.gz KIUKPOHAEKBEGI-XQQFMLRXSA-N 2 2 285.388 -0.818 20 0 CBADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1COCC[NH2+]1 ZINC000262625278 352428147 /nfs/dbraw/zinc/42/81/47/352428147.db2.gz BFPLEVMQVIKNPG-VXGBXAGGSA-N 2 2 271.361 -0.798 20 0 CBADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1COCC[NH2+]1 ZINC000262625278 352428151 /nfs/dbraw/zinc/42/81/51/352428151.db2.gz BFPLEVMQVIKNPG-VXGBXAGGSA-N 2 2 271.361 -0.798 20 0 CBADLP C[C@H](NC(=O)[C@@H]1CC[NH2+]C1)[C@H](C)[NH+]1CCOCC1 ZINC000262652605 352429509 /nfs/dbraw/zinc/42/95/09/352429509.db2.gz AXLSTMUZNZDZDD-SDDRHHMPSA-N 2 2 255.362 -0.179 20 0 CBADLP C[C@H]1CN(C(=O)C2([NH3+])CC2)C[C@H]1[NH+]1CCOCC1 ZINC000262696731 352431703 /nfs/dbraw/zinc/43/17/03/352431703.db2.gz FEVFXAHHPUIBMS-WDEREUQCSA-N 2 2 253.346 -0.343 20 0 CBADLP Cn1ccnc(N2CC[NH+](C[C@]3(C)CC[NH2+]C3)CC2)c1=O ZINC000261984056 352401671 /nfs/dbraw/zinc/40/16/71/352401671.db2.gz JMJCIYMGGXIWIF-OAHLLOKOSA-N 2 2 291.399 -0.098 20 0 CBADLP C[C@@H]([NH3+])C(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000261939005 352402147 /nfs/dbraw/zinc/40/21/47/352402147.db2.gz ZWWHVOBYLIBSLE-SNVBAGLBSA-N 2 2 251.334 -0.589 20 0 CBADLP [NH3+]C[C@@H]1CCCC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000262097022 352406859 /nfs/dbraw/zinc/40/68/59/352406859.db2.gz LTESEGWOJCADSS-LBPRGKRZSA-N 3 2 254.378 -0.379 20 0 CBADLP [NH3+]C[C@@H]1CCCC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000262097022 352406863 /nfs/dbraw/zinc/40/68/63/352406863.db2.gz LTESEGWOJCADSS-LBPRGKRZSA-N 3 2 254.378 -0.379 20 0 CBADLP Cc1ccc2[nH+]c(CNC(=O)[C@H]3C[C@@H](O)C[NH2+]3)cn2c1 ZINC000269266881 352465240 /nfs/dbraw/zinc/46/52/40/352465240.db2.gz ZFMNFDFNRYWZSO-VXGBXAGGSA-N 2 2 274.324 -0.018 20 0 CBADLP CCN(CC)c1ccc(CNC(=O)[C@@H]([NH3+])CC(N)=O)c[nH+]1 ZINC000269713684 352479569 /nfs/dbraw/zinc/47/95/69/352479569.db2.gz ONONIBKTSOFOKK-NSHDSACASA-N 2 2 293.371 -0.253 20 0 CBADLP Cn1cc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)c(=O)n(C)c1=O ZINC000272590905 352521051 /nfs/dbraw/zinc/52/10/51/352521051.db2.gz HULONNBAUQMOKG-YPMHNXCESA-N 2 2 292.383 -0.390 20 0 CBADLP Cn1cc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)c(=O)n(C)c1=O ZINC000272590905 352521055 /nfs/dbraw/zinc/52/10/55/352521055.db2.gz HULONNBAUQMOKG-YPMHNXCESA-N 2 2 292.383 -0.390 20 0 CBADLP Cn1cc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@@H]32)c(=O)n(C)c1=O ZINC000272590905 352521057 /nfs/dbraw/zinc/52/10/57/352521057.db2.gz HULONNBAUQMOKG-YPMHNXCESA-N 2 2 292.383 -0.390 20 0 CBADLP Cn1cc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@@H]32)c(=O)n(C)c1=O ZINC000272590905 352521061 /nfs/dbraw/zinc/52/10/61/352521061.db2.gz HULONNBAUQMOKG-YPMHNXCESA-N 2 2 292.383 -0.390 20 0 CBADLP C[C@H](O)C[NH+]1CCN(C(=O)NCc2[nH+]ccn2C)CC1 ZINC000287309985 352654177 /nfs/dbraw/zinc/65/41/77/352654177.db2.gz GRKFQJHDQXDKGW-NSHDSACASA-N 2 2 281.360 -0.372 20 0 CBADLP Cn1nccc1CC[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000283638095 352627370 /nfs/dbraw/zinc/62/73/70/352627370.db2.gz BYFSCESUTDOEPI-UHFFFAOYSA-N 2 2 279.388 -0.332 20 0 CBADLP CN(CC[NH+](C)C)C(=O)C(=O)NCCn1cc[nH+]c1 ZINC000283924625 352632070 /nfs/dbraw/zinc/63/20/70/352632070.db2.gz LTMHQSBSBDDLKA-UHFFFAOYSA-N 2 2 267.333 -0.981 20 0 CBADLP C[NH+](C)[C@H]1CN(c2ncnc3c2C[N@H+](C)CC3)C[C@@H]1O ZINC000292483667 352684839 /nfs/dbraw/zinc/68/48/39/352684839.db2.gz ZTSFKMHIQZDSIA-STQMWFEESA-N 2 2 277.372 -0.424 20 0 CBADLP C[NH+](C)[C@H]1CN(c2ncnc3c2C[N@@H+](C)CC3)C[C@@H]1O ZINC000292483667 352684842 /nfs/dbraw/zinc/68/48/42/352684842.db2.gz ZTSFKMHIQZDSIA-STQMWFEESA-N 2 2 277.372 -0.424 20 0 CBADLP CC[NH+](CC)CC(=O)N1CC[NH+](CCCO)CC1 ZINC000303401716 352744139 /nfs/dbraw/zinc/74/41/39/352744139.db2.gz MJZNXSMMOYMWMZ-UHFFFAOYSA-N 2 2 257.378 -0.145 20 0 CBADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H]1CCC[C@H]1O ZINC000305760151 352750610 /nfs/dbraw/zinc/75/06/10/352750610.db2.gz JMOLNNUVBMMIDP-QWHCGFSZSA-N 2 2 269.389 -0.147 20 0 CBADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H]1CCC[C@H]1O ZINC000305760151 352750611 /nfs/dbraw/zinc/75/06/11/352750611.db2.gz JMOLNNUVBMMIDP-QWHCGFSZSA-N 2 2 269.389 -0.147 20 0 CBADLP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000305764602 352750814 /nfs/dbraw/zinc/75/08/14/352750814.db2.gz GMRXLFCPWHBSGS-WOPDTQHZSA-N 2 2 278.418 -0.146 20 0 CBADLP COC[C@@]1(C(=O)N(C)Cc2[nH]cc[nH+]2)CC[NH2+]C1 ZINC000310811776 352761748 /nfs/dbraw/zinc/76/17/48/352761748.db2.gz GOMAMRARALBDHA-GFCCVEGCSA-N 2 2 252.318 -0.006 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](O)C1(C)C ZINC000310860244 352762600 /nfs/dbraw/zinc/76/26/00/352762600.db2.gz RKLHDXMBCNNVDM-NEPJUHHUSA-N 2 2 260.378 -0.229 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](O)C1(C)C ZINC000310860244 352762603 /nfs/dbraw/zinc/76/26/03/352762603.db2.gz RKLHDXMBCNNVDM-NEPJUHHUSA-N 2 2 260.378 -0.229 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](O)C1(C)C ZINC000310860244 352762604 /nfs/dbraw/zinc/76/26/04/352762604.db2.gz RKLHDXMBCNNVDM-NEPJUHHUSA-N 2 2 260.378 -0.229 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](O)C1(C)C ZINC000310860244 352762607 /nfs/dbraw/zinc/76/26/07/352762607.db2.gz RKLHDXMBCNNVDM-NEPJUHHUSA-N 2 2 260.378 -0.229 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@](C)(O)C1 ZINC000310875488 352762839 /nfs/dbraw/zinc/76/28/39/352762839.db2.gz MRQJOSVDOBMDFE-OLZOCXBDSA-N 2 2 260.378 -0.228 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@](C)(O)C1 ZINC000310875488 352762843 /nfs/dbraw/zinc/76/28/43/352762843.db2.gz MRQJOSVDOBMDFE-OLZOCXBDSA-N 2 2 260.378 -0.228 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@](C)(O)C1 ZINC000310875488 352762846 /nfs/dbraw/zinc/76/28/46/352762846.db2.gz MRQJOSVDOBMDFE-OLZOCXBDSA-N 2 2 260.378 -0.228 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@](C)(O)C1 ZINC000310875488 352762847 /nfs/dbraw/zinc/76/28/47/352762847.db2.gz MRQJOSVDOBMDFE-OLZOCXBDSA-N 2 2 260.378 -0.228 20 0 CBADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000310990322 352764183 /nfs/dbraw/zinc/76/41/83/352764183.db2.gz HNUYKZAGUDZVCV-LBPRGKRZSA-N 2 2 252.318 -0.496 20 0 CBADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000310990322 352764185 /nfs/dbraw/zinc/76/41/85/352764185.db2.gz HNUYKZAGUDZVCV-LBPRGKRZSA-N 2 2 252.318 -0.496 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC(CO)CC1 ZINC000311169749 352765783 /nfs/dbraw/zinc/76/57/83/352765783.db2.gz RXNYEGNFXOLVQF-CYBMUJFWSA-N 2 2 260.378 -0.370 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(CO)CC1 ZINC000311169749 352765784 /nfs/dbraw/zinc/76/57/84/352765784.db2.gz RXNYEGNFXOLVQF-CYBMUJFWSA-N 2 2 260.378 -0.370 20 0 CBADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330306026 352812029 /nfs/dbraw/zinc/81/20/29/352812029.db2.gz LDBPWBNYGAMFAO-QWHCGFSZSA-N 2 2 292.383 -0.030 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC[N@@H+]1CCO ZINC000330296789 352812271 /nfs/dbraw/zinc/81/22/71/352812271.db2.gz GMBWFNFFVBMSAH-CHWSQXEVSA-N 2 2 292.383 -0.030 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC[N@H+]1CCO ZINC000330296789 352812274 /nfs/dbraw/zinc/81/22/74/352812274.db2.gz GMBWFNFFVBMSAH-CHWSQXEVSA-N 2 2 292.383 -0.030 20 0 CBADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330306027 352812490 /nfs/dbraw/zinc/81/24/90/352812490.db2.gz LDBPWBNYGAMFAO-STQMWFEESA-N 2 2 292.383 -0.030 20 0 CBADLP C[N@H+](C[C@@H](O)C[NH2+]CCN1CCC(O)CC1)C1CC1 ZINC000321279184 352782497 /nfs/dbraw/zinc/78/24/97/352782497.db2.gz HBYCQNSAHNBBKD-AWEZNQCLSA-N 2 2 271.405 -0.512 20 0 CBADLP C[N@@H+](C[C@@H](O)C[NH2+]CCN1CCC(O)CC1)C1CC1 ZINC000321279184 352782498 /nfs/dbraw/zinc/78/24/98/352782498.db2.gz HBYCQNSAHNBBKD-AWEZNQCLSA-N 2 2 271.405 -0.512 20 0 CBADLP C[N@@H+]1CCO[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@@H]21 ZINC000329974563 352801428 /nfs/dbraw/zinc/80/14/28/352801428.db2.gz DDUDNDGPJWLICI-NWDGAFQWSA-N 2 2 264.329 -0.185 20 0 CBADLP C[N@H+]1CCO[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@@H]21 ZINC000329974563 352801429 /nfs/dbraw/zinc/80/14/29/352801429.db2.gz DDUDNDGPJWLICI-NWDGAFQWSA-N 2 2 264.329 -0.185 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)NC[C@H](C)[NH+]2CCOCC2)[N@H+](C)C1 ZINC000330508655 352836109 /nfs/dbraw/zinc/83/61/09/352836109.db2.gz APWOYENVVGCZSV-AVGNSLFASA-N 2 2 285.388 -0.458 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)NC[C@H](C)[NH+]2CCOCC2)[N@@H+](C)C1 ZINC000330508655 352836111 /nfs/dbraw/zinc/83/61/11/352836111.db2.gz APWOYENVVGCZSV-AVGNSLFASA-N 2 2 285.388 -0.458 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)NC(C)(C)C[NH+]2CCOCC2)[N@H+](C)C1 ZINC000331361674 352908835 /nfs/dbraw/zinc/90/88/35/352908835.db2.gz ZIZWQTDECLRKAN-STQMWFEESA-N 2 2 299.415 -0.068 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)NC(C)(C)C[NH+]2CCOCC2)[N@@H+](C)C1 ZINC000331361674 352908836 /nfs/dbraw/zinc/90/88/36/352908836.db2.gz ZIZWQTDECLRKAN-STQMWFEESA-N 2 2 299.415 -0.068 20 0 CBADLP C[C@@H](CNC(=O)N(C)C1CC([NH3+])C1)[NH+]1CCOCC1 ZINC000331388434 352911353 /nfs/dbraw/zinc/91/13/53/352911353.db2.gz CFUDZRKFOKLWGR-UNXYVOJBSA-N 2 2 270.377 -0.162 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000332628245 352970559 /nfs/dbraw/zinc/97/05/59/352970559.db2.gz YJCBOFSMDQSISR-UONOGXRCSA-N 2 2 299.415 -0.208 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[NH+]1CCOCC1 ZINC000332621610 352970834 /nfs/dbraw/zinc/97/08/34/352970834.db2.gz OMELXHFJQSVCMW-ZDUSSCGKSA-N 2 2 285.388 -0.597 20 0 CBADLP C[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000332795644 352986923 /nfs/dbraw/zinc/98/69/23/352986923.db2.gz DNKPMFWZTYDOLS-RYUDHWBXSA-N 2 2 270.377 -0.290 20 0 CBADLP C[N@H+]1CCC[C@H]1CNC(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000332795644 352986925 /nfs/dbraw/zinc/98/69/25/352986925.db2.gz DNKPMFWZTYDOLS-RYUDHWBXSA-N 2 2 270.377 -0.290 20 0 CBADLP C[NH+]1CCC[C@H]1CNC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000332795644 352986927 /nfs/dbraw/zinc/98/69/27/352986927.db2.gz DNKPMFWZTYDOLS-RYUDHWBXSA-N 2 2 270.377 -0.290 20 0 CBADLP C[NH+]1CCC[C@H]1CNC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000332795644 352986929 /nfs/dbraw/zinc/98/69/29/352986929.db2.gz DNKPMFWZTYDOLS-RYUDHWBXSA-N 2 2 270.377 -0.290 20 0 CBADLP C[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000332183046 352939588 /nfs/dbraw/zinc/93/95/88/352939588.db2.gz PCJRPWJLYCUEGW-RWMBFGLXSA-N 2 2 294.399 -0.654 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCOC[C@@H](O)C2)CC1 ZINC000332281158 352942440 /nfs/dbraw/zinc/94/24/40/352942440.db2.gz GAHLFLJUPGPZDY-STQMWFEESA-N 2 2 285.388 -0.768 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCOC[C@@H](O)C2)CC1 ZINC000332281158 352942442 /nfs/dbraw/zinc/94/24/42/352942442.db2.gz GAHLFLJUPGPZDY-STQMWFEESA-N 2 2 285.388 -0.768 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000332611658 352969252 /nfs/dbraw/zinc/96/92/52/352969252.db2.gz LSLFSXFLSHPCBJ-STQMWFEESA-N 2 2 294.399 -0.639 20 0 CBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC000333005434 352996145 /nfs/dbraw/zinc/99/61/45/352996145.db2.gz DUCZWJTZZZLFNG-OLZOCXBDSA-N 2 2 285.388 -0.768 20 0 CBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CCC[N@H+]1C ZINC000333005434 352996148 /nfs/dbraw/zinc/99/61/48/352996148.db2.gz DUCZWJTZZZLFNG-OLZOCXBDSA-N 2 2 285.388 -0.768 20 0 CBADLP C[C@H]1CN(C(=O)NCC2([NH+]3CCOCC3)CC2)C[C@H]1[NH3+] ZINC000333717670 353009209 /nfs/dbraw/zinc/00/92/09/353009209.db2.gz GEJROAFXBJNZQH-NWDGAFQWSA-N 2 2 282.388 -0.160 20 0 CBADLP CN(C(=O)NCC1([NH+]2CCOCC2)CC1)C1CC([NH3+])C1 ZINC000333781426 353009999 /nfs/dbraw/zinc/00/99/99/353009999.db2.gz KXHSWASKKRJXJH-UHFFFAOYSA-N 2 2 282.388 -0.018 20 0 CBADLP O=C(C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)N1CCNC(=O)C1 ZINC000333813013 353011718 /nfs/dbraw/zinc/01/17/18/353011718.db2.gz FZUAUKAFTMWNAH-STQMWFEESA-N 2 2 294.399 -0.591 20 0 CBADLP O=C(C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)N1CCNC(=O)C1 ZINC000333813013 353011720 /nfs/dbraw/zinc/01/17/20/353011720.db2.gz FZUAUKAFTMWNAH-STQMWFEESA-N 2 2 294.399 -0.591 20 0 CBADLP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N(C)CC[NH+]1CCOCC1 ZINC000333876075 353013040 /nfs/dbraw/zinc/01/30/40/353013040.db2.gz VIQFXKJABZPEDY-STQMWFEESA-N 2 2 284.404 -0.042 20 0 CBADLP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@H]1CS(N)(=O)=O)C1CC1 ZINC000336811060 353058392 /nfs/dbraw/zinc/05/83/92/353058392.db2.gz KXSGPHVWMPOUCH-NWDGAFQWSA-N 2 2 291.417 -0.806 20 0 CBADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@H]1CS(N)(=O)=O)C1CC1 ZINC000336811060 353058395 /nfs/dbraw/zinc/05/83/95/353058395.db2.gz KXSGPHVWMPOUCH-NWDGAFQWSA-N 2 2 291.417 -0.806 20 0 CBADLP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@H]1CS(N)(=O)=O)C1CC1 ZINC000336811060 353058397 /nfs/dbraw/zinc/05/83/97/353058397.db2.gz KXSGPHVWMPOUCH-NWDGAFQWSA-N 2 2 291.417 -0.806 20 0 CBADLP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@H]1CS(N)(=O)=O)C1CC1 ZINC000336811060 353058402 /nfs/dbraw/zinc/05/84/02/353058402.db2.gz KXSGPHVWMPOUCH-NWDGAFQWSA-N 2 2 291.417 -0.806 20 0 CBADLP Cn1cc[nH+]c1N1CC[NH+](CCN2CCOCC2)CC1 ZINC000336821844 353059728 /nfs/dbraw/zinc/05/97/28/353059728.db2.gz JKBZPWIAXMEADJ-UHFFFAOYSA-N 2 2 279.388 -0.126 20 0 CBADLP Cn1cc[nH+]c1N1CCN(CC[NH+]2CCOCC2)CC1 ZINC000336821844 353059731 /nfs/dbraw/zinc/05/97/31/353059731.db2.gz JKBZPWIAXMEADJ-UHFFFAOYSA-N 2 2 279.388 -0.126 20 0 CBADLP CN(C)CC[NH+]1CCC(NC(=O)N2CC[NH+](C)CC2)CC1 ZINC000337128546 353076255 /nfs/dbraw/zinc/07/62/55/353076255.db2.gz IGKBJOJOINPFNO-UHFFFAOYSA-N 2 2 297.447 -0.031 20 0 CBADLP C[C@@H]1C[N@H+](C)CCN1C[C@@H](O)C[NH+]1CCOCC1 ZINC000336733399 353050833 /nfs/dbraw/zinc/05/08/33/353050833.db2.gz UDHCOGPFHIEYDA-OLZOCXBDSA-N 2 2 257.378 -0.685 20 0 CBADLP C[C@@H]1C[N@@H+](C)CCN1C[C@@H](O)C[NH+]1CCOCC1 ZINC000336733399 353050837 /nfs/dbraw/zinc/05/08/37/353050837.db2.gz UDHCOGPFHIEYDA-OLZOCXBDSA-N 2 2 257.378 -0.685 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@@](F)(CO)C2)CC1 ZINC000338588753 353107409 /nfs/dbraw/zinc/10/74/09/353107409.db2.gz NPNKFAYOJRWHQZ-ZDUSSCGKSA-N 2 2 273.352 -0.443 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@@](F)(CO)C2)CC1 ZINC000338588753 353107411 /nfs/dbraw/zinc/10/74/11/353107411.db2.gz NPNKFAYOJRWHQZ-ZDUSSCGKSA-N 2 2 273.352 -0.443 20 0 CBADLP C[NH+](C)CCOCCNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338174975 353087830 /nfs/dbraw/zinc/08/78/30/353087830.db2.gz CPXRYDBRQNPKRT-UHFFFAOYSA-N 2 2 287.404 -0.208 20 0 CBADLP C[C@@H](CC[NH+](C)C)NC(=O)NCC[NH+]1CCOCC1 ZINC000338230729 353090162 /nfs/dbraw/zinc/09/01/62/353090162.db2.gz JJAHZCWEUNHEED-LBPRGKRZSA-N 2 2 272.393 -0.042 20 0 CBADLP C[C@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)CC[S@]1=O ZINC000338322397 353094997 /nfs/dbraw/zinc/09/49/97/353094997.db2.gz YXPGNBGRHICDKW-HXPMCKFVSA-N 2 2 287.429 -0.397 20 0 CBADLP C[C@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)CC[S@]1=O ZINC000338322397 353094999 /nfs/dbraw/zinc/09/49/99/353094999.db2.gz YXPGNBGRHICDKW-HXPMCKFVSA-N 2 2 287.429 -0.397 20 0 CBADLP COC(=O)C[N@H+](CCC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000338315446 353095248 /nfs/dbraw/zinc/09/52/48/353095248.db2.gz KVRWKZWUQGSFRE-UHFFFAOYSA-N 2 2 283.372 -0.212 20 0 CBADLP COC(=O)C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000338315446 353095251 /nfs/dbraw/zinc/09/52/51/353095251.db2.gz KVRWKZWUQGSFRE-UHFFFAOYSA-N 2 2 283.372 -0.212 20 0 CBADLP C[NH+](C)C1CC[NH+](CCNC(=O)CCn2ccnn2)CC1 ZINC000338391659 353100452 /nfs/dbraw/zinc/10/04/52/353100452.db2.gz IHLJPFYYFMWUBT-UHFFFAOYSA-N 2 2 294.403 -0.190 20 0 CBADLP CC[NH+](CC)CCS(=O)(=O)N1CC([NH+](C)C)C1 ZINC000340043538 353145934 /nfs/dbraw/zinc/14/59/34/353145934.db2.gz PSVFQKYDUVARER-UHFFFAOYSA-N 2 2 263.407 -0.096 20 0 CBADLP COC(=O)CC[C@@H]([NH3+])C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000342765386 353231781 /nfs/dbraw/zinc/23/17/81/353231781.db2.gz NRYZRXDHCHFYPG-GHMZBOCLSA-N 2 2 287.360 -0.896 20 0 CBADLP COCC[N@H+](C)CCNC(=O)[C@H]1CC[NH2+]CC1(F)F ZINC000342764093 353231842 /nfs/dbraw/zinc/23/18/42/353231842.db2.gz FUORIEYKRVFSQD-SNVBAGLBSA-N 2 2 279.331 -0.074 20 0 CBADLP COCC[N@@H+](C)CCNC(=O)[C@H]1CC[NH2+]CC1(F)F ZINC000342764093 353231843 /nfs/dbraw/zinc/23/18/43/353231843.db2.gz FUORIEYKRVFSQD-SNVBAGLBSA-N 2 2 279.331 -0.074 20 0 CBADLP COC(=O)CC[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000342700699 353228193 /nfs/dbraw/zinc/22/81/93/353228193.db2.gz YDENOZCDUXFCLG-GHMZBOCLSA-N 2 2 287.360 -0.896 20 0 CBADLP COC(=O)CC[C@@H]([NH3+])C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000342700699 353228196 /nfs/dbraw/zinc/22/81/96/353228196.db2.gz YDENOZCDUXFCLG-GHMZBOCLSA-N 2 2 287.360 -0.896 20 0 CBADLP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000342721253 353228987 /nfs/dbraw/zinc/22/89/87/353228987.db2.gz YUGFYHZFPHMPSO-WDEREUQCSA-N 2 2 287.360 -0.896 20 0 CBADLP C[C@H](C(=O)N1CC[NH+](CCO)CC1)[NH+]1CCSCC1 ZINC000343177034 353258013 /nfs/dbraw/zinc/25/80/13/353258013.db2.gz QFKPWGLDMKELOB-GFCCVEGCSA-N 2 2 287.429 -0.440 20 0 CBADLP C[C@H]1[C@H](NC(=O)C(=O)NCc2[nH+]ccn2C)CCC[N@@H+]1C ZINC000342967117 353244346 /nfs/dbraw/zinc/24/43/46/353244346.db2.gz SMZRXMPWNWKHML-WDEREUQCSA-N 2 2 293.371 -0.365 20 0 CBADLP C[C@H]1[C@H](NC(=O)C(=O)NCc2[nH+]ccn2C)CCC[N@H+]1C ZINC000342967117 353244349 /nfs/dbraw/zinc/24/43/49/353244349.db2.gz SMZRXMPWNWKHML-WDEREUQCSA-N 2 2 293.371 -0.365 20 0 CBADLP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NCc1[nH+]ccn1C ZINC000342980358 353244885 /nfs/dbraw/zinc/24/48/85/353244885.db2.gz PIOPZFKMHXDBEK-UHFFFAOYSA-N 2 2 295.387 -0.165 20 0 CBADLP O=C([C@@H]1CC[NH2+]CC1(F)F)N1CC[NH+](CCO)CC1 ZINC000343435356 353272560 /nfs/dbraw/zinc/27/25/60/353272560.db2.gz BTPCBJUCUHOSDC-JTQLQIEISA-N 2 2 277.315 -0.632 20 0 CBADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CC1(C(N)=O)CCOCC1 ZINC000343278123 353263224 /nfs/dbraw/zinc/26/32/24/353263224.db2.gz JGNQSKAUZULOSU-WDEREUQCSA-N 2 2 255.362 -0.192 20 0 CBADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1(C(N)=O)CCOCC1 ZINC000343278123 353263227 /nfs/dbraw/zinc/26/32/27/353263227.db2.gz JGNQSKAUZULOSU-WDEREUQCSA-N 2 2 255.362 -0.192 20 0 CBADLP CC[C@]1(C(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)CCC[NH2+]1 ZINC000343769190 353290840 /nfs/dbraw/zinc/29/08/40/353290840.db2.gz KXWRWIMMKCDWOJ-OAHLLOKOSA-N 2 2 296.415 -0.073 20 0 CBADLP [NH3+]CCN(Cc1ccccc1)C(=O)CN1CC[NH2+]CC1=O ZINC000343792322 353291723 /nfs/dbraw/zinc/29/17/23/353291723.db2.gz OZEJPAZJUSXXGD-UHFFFAOYSA-N 2 2 290.367 -0.594 20 0 CBADLP C[C@@H]([NH3+])[C@H](C)C(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC000156635197 188273927 /nfs/dbraw/zinc/27/39/27/188273927.db2.gz GIAQCYJELMZTIV-NWDGAFQWSA-N 2 2 284.404 -0.408 20 0 CBADLP C[C@@H]([NH3+])[C@H](C)C(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC000156635197 188273928 /nfs/dbraw/zinc/27/39/28/188273928.db2.gz GIAQCYJELMZTIV-NWDGAFQWSA-N 2 2 284.404 -0.408 20 0 CBADLP COC(=O)CC[C@H]([NH3+])C(=O)N(C)CC[NH+]1CCOCC1 ZINC000343899500 353296910 /nfs/dbraw/zinc/29/69/10/353296910.db2.gz YSNCGQUXHUDYRM-NSHDSACASA-N 2 2 287.360 -0.943 20 0 CBADLP C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CC[NH2+]CC2(F)F)C1 ZINC000343894602 353297086 /nfs/dbraw/zinc/29/70/86/353297086.db2.gz VASXYVHGLLGIKL-ZJUUUORDSA-N 2 2 277.315 -0.322 20 0 CBADLP C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CC[NH2+]CC2(F)F)C1 ZINC000343894602 353297088 /nfs/dbraw/zinc/29/70/88/353297088.db2.gz VASXYVHGLLGIKL-ZJUUUORDSA-N 2 2 277.315 -0.322 20 0 CBADLP C[NH+](C)CCN1C[C@H](C(=O)NCCc2[nH]cc[nH+]2)CC1=O ZINC000345331545 353324011 /nfs/dbraw/zinc/32/40/11/353324011.db2.gz SIHWBZSFPDJAPO-LLVKDONJSA-N 2 2 293.371 -0.522 20 0 CBADLP C[NH+](C)CCN1C[C@@H](C(=O)NCCc2[nH]cc[nH+]2)CC1=O ZINC000345331547 353324257 /nfs/dbraw/zinc/32/42/57/353324257.db2.gz SIHWBZSFPDJAPO-NSHDSACASA-N 2 2 293.371 -0.522 20 0 CBADLP CC[NH+]1CCN(CC(=O)N2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000345341145 353325283 /nfs/dbraw/zinc/32/52/83/353325283.db2.gz LONYLPPQYWGPTQ-ZDUSSCGKSA-N 2 2 268.405 -0.214 20 0 CBADLP CC[NH+]1CCN(CC(=O)N2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000345341145 353325286 /nfs/dbraw/zinc/32/52/86/353325286.db2.gz LONYLPPQYWGPTQ-ZDUSSCGKSA-N 2 2 268.405 -0.214 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000345401114 353328278 /nfs/dbraw/zinc/32/82/78/353328278.db2.gz BDHOEPWEDMDJQA-CHWSQXEVSA-N 2 2 285.388 -0.504 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000345401114 353328282 /nfs/dbraw/zinc/32/82/82/353328282.db2.gz BDHOEPWEDMDJQA-CHWSQXEVSA-N 2 2 285.388 -0.504 20 0 CBADLP Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)C[NH+](C)C)C1=O ZINC000345941088 353355779 /nfs/dbraw/zinc/35/57/79/353355779.db2.gz NUYXODIEWSSEDV-NSHDSACASA-N 2 2 293.371 -0.411 20 0 CBADLP CC[NH+](CC)CCNC(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000346020162 353358646 /nfs/dbraw/zinc/35/86/46/353358646.db2.gz TXDVRTZOFDQNKR-UHFFFAOYSA-N 2 2 286.420 -0.099 20 0 CBADLP CC[NH+](CC)CCNC(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000346020162 353358648 /nfs/dbraw/zinc/35/86/48/353358648.db2.gz TXDVRTZOFDQNKR-UHFFFAOYSA-N 2 2 286.420 -0.099 20 0 CBADLP C[NH+]1CCN(CCNC(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC000346029655 353359167 /nfs/dbraw/zinc/35/91/67/353359167.db2.gz JTQRNFKIDFSHRF-UHFFFAOYSA-N 2 2 298.431 -0.539 20 0 CBADLP CC[NH+]1CCN([C@@H](C)CNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000346156987 353363732 /nfs/dbraw/zinc/36/37/32/353363732.db2.gz SXHDSCYQAQCYKG-KBPBESRZSA-N 2 2 298.431 -0.541 20 0 CBADLP CC[NH+]1CCN([C@@H](C)CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000346156987 353363734 /nfs/dbraw/zinc/36/37/34/353363734.db2.gz SXHDSCYQAQCYKG-KBPBESRZSA-N 2 2 298.431 -0.541 20 0 CBADLP COC(=O)CN(CC[NH+]1CCOCC1)C[C@H]1CCC[NH2+]C1 ZINC000346854192 353394090 /nfs/dbraw/zinc/39/40/90/353394090.db2.gz TYUKVIAIBLSKMT-AWEZNQCLSA-N 2 2 299.415 -0.207 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000347974424 353402922 /nfs/dbraw/zinc/40/29/22/353402922.db2.gz KUXYZZJTPQRYCT-STQMWFEESA-N 2 2 296.415 -0.251 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000347974424 353402924 /nfs/dbraw/zinc/40/29/24/353402924.db2.gz KUXYZZJTPQRYCT-STQMWFEESA-N 2 2 296.415 -0.251 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)CCOC1C[NH2+]C1 ZINC000349049287 353446338 /nfs/dbraw/zinc/44/63/38/353446338.db2.gz IIRZBDMWCBZFBE-LLVKDONJSA-N 2 2 271.361 -0.798 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)CCOC1C[NH2+]C1 ZINC000349049287 353446342 /nfs/dbraw/zinc/44/63/42/353446342.db2.gz IIRZBDMWCBZFBE-LLVKDONJSA-N 2 2 271.361 -0.798 20 0 CBADLP Cn1nncc1C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000349323051 353451890 /nfs/dbraw/zinc/45/18/90/353451890.db2.gz ZQXBRYVLQUAYGT-UHFFFAOYSA-N 2 2 266.393 -0.116 20 0 CBADLP Cn1nncc1C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000349323051 353451893 /nfs/dbraw/zinc/45/18/93/353451893.db2.gz ZQXBRYVLQUAYGT-UHFFFAOYSA-N 2 2 266.393 -0.116 20 0 CBADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1CC(=O)N1CCNC(=O)C1 ZINC000352487489 353487265 /nfs/dbraw/zinc/48/72/65/353487265.db2.gz FOAALWIVYJGOHX-NSHDSACASA-N 2 2 268.361 -0.852 20 0 CBADLP [NH3+]CC[C@@H]1CCCC[N@H+]1CC(=O)N1CCNC(=O)C1 ZINC000352487489 353487269 /nfs/dbraw/zinc/48/72/69/353487269.db2.gz FOAALWIVYJGOHX-NSHDSACASA-N 2 2 268.361 -0.852 20 0 CBADLP C[C@@H](NC(=O)C[N@@H+]1CCCC[C@H]1CC[NH3+])C(=O)N(C)C ZINC000352503021 353487853 /nfs/dbraw/zinc/48/78/53/353487853.db2.gz BBKBIXFHEYKCPZ-NEPJUHHUSA-N 2 2 284.404 -0.217 20 0 CBADLP C[C@@H](NC(=O)C[N@H+]1CCCC[C@H]1CC[NH3+])C(=O)N(C)C ZINC000352503021 353487856 /nfs/dbraw/zinc/48/78/56/353487856.db2.gz BBKBIXFHEYKCPZ-NEPJUHHUSA-N 2 2 284.404 -0.217 20 0 CBADLP C[C@@H]1CN(C(=O)C[C@@H]2COCC[NH2+]2)C[C@@H]1[NH+]1CCOCC1 ZINC000262024131 137704162 /nfs/dbraw/zinc/70/41/62/137704162.db2.gz ATAZPXYFZMGKLF-MCIONIFRSA-N 2 2 297.399 -0.456 20 0 CBADLP C[C@@H](C[NH+](C)C)NC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000353090568 353520706 /nfs/dbraw/zinc/52/07/06/353520706.db2.gz SQFQPNZRNSPUML-RYUDHWBXSA-N 2 2 271.409 -0.519 20 0 CBADLP C[C@@H](C[NH+](C)C)NC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000353090568 353520707 /nfs/dbraw/zinc/52/07/07/353520707.db2.gz SQFQPNZRNSPUML-RYUDHWBXSA-N 2 2 271.409 -0.519 20 0 CBADLP CO[C@@H](C[NH3+])C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000353441632 353532444 /nfs/dbraw/zinc/53/24/44/353532444.db2.gz ARADTTCKOWHYTK-OLZOCXBDSA-N 2 2 285.388 -0.327 20 0 CBADLP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@H]([NH3+])CC(N)=O)C1 ZINC000353575456 353533307 /nfs/dbraw/zinc/53/33/07/353533307.db2.gz FMTUUXOVGKJJQM-GHMZBOCLSA-N 2 2 293.371 -0.188 20 0 CBADLP CC[N@@H+]1CCN(CC(=O)N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000352697193 353502655 /nfs/dbraw/zinc/50/26/55/353502655.db2.gz KJUDWMRSKBYOCQ-ZDUSSCGKSA-N 2 2 268.405 -0.214 20 0 CBADLP CC[N@H+]1CCN(CC(=O)N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000352697193 353502656 /nfs/dbraw/zinc/50/26/56/353502656.db2.gz KJUDWMRSKBYOCQ-ZDUSSCGKSA-N 2 2 268.405 -0.214 20 0 CBADLP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NCCn1cc[nH+]c1 ZINC000354703341 353579697 /nfs/dbraw/zinc/57/96/97/353579697.db2.gz CTWMTNMWRQRPNI-LLVKDONJSA-N 2 2 279.344 -0.742 20 0 CBADLP Cc1[nH+]c[nH]c1CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000354748040 353582547 /nfs/dbraw/zinc/58/25/47/353582547.db2.gz KTWCEOFZAZTCEJ-SNVBAGLBSA-N 2 2 279.344 -0.407 20 0 CBADLP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000354427680 353560276 /nfs/dbraw/zinc/56/02/76/353560276.db2.gz UOMDOTLTYGJCNO-KBPBESRZSA-N 2 2 298.431 -0.541 20 0 CBADLP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000354427680 353560279 /nfs/dbraw/zinc/56/02/79/353560279.db2.gz UOMDOTLTYGJCNO-KBPBESRZSA-N 2 2 298.431 -0.541 20 0 CBADLP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000354427680 353560281 /nfs/dbraw/zinc/56/02/81/353560281.db2.gz UOMDOTLTYGJCNO-KBPBESRZSA-N 2 2 298.431 -0.541 20 0 CBADLP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000354427680 353560283 /nfs/dbraw/zinc/56/02/83/353560283.db2.gz UOMDOTLTYGJCNO-KBPBESRZSA-N 2 2 298.431 -0.541 20 0 CBADLP C[C@H](O)CNc1cc(N2CCC([NH2+]CCO)CC2)nc[nH+]1 ZINC000354466949 353562239 /nfs/dbraw/zinc/56/22/39/353562239.db2.gz KMIXYXRCMARQCI-NSHDSACASA-N 2 2 295.387 -0.180 20 0 CBADLP C[C@H](O)CNc1cc(N2CCC([NH2+]CCO)CC2)[nH+]cn1 ZINC000354466949 353562242 /nfs/dbraw/zinc/56/22/42/353562242.db2.gz KMIXYXRCMARQCI-NSHDSACASA-N 2 2 295.387 -0.180 20 0 CBADLP CO[C@@H]1CCN(C(=O)[C@H](C)[NH+]2CCOCC2)[C@@H](C[NH3+])C1 ZINC000359214789 353652565 /nfs/dbraw/zinc/65/25/65/353652565.db2.gz LZOFSAKVBBDOBF-YNEHKIRRSA-N 2 2 285.388 -0.328 20 0 CBADLP C[C@@H](C(=O)NC[C@]1(O)CC[N@H+](C)C1)[NH+]1CCSCC1 ZINC000358054202 353622491 /nfs/dbraw/zinc/62/24/91/353622491.db2.gz JZVPMHAFGHSDRX-WCQYABFASA-N 2 2 287.429 -0.394 20 0 CBADLP C[C@@H](C(=O)NC[C@]1(O)CC[N@@H+](C)C1)[NH+]1CCSCC1 ZINC000358054202 353622492 /nfs/dbraw/zinc/62/24/92/353622492.db2.gz JZVPMHAFGHSDRX-WCQYABFASA-N 2 2 287.429 -0.394 20 0 CBADLP COC[C@H]([NH3+])C(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000262268345 137711841 /nfs/dbraw/zinc/71/18/41/137711841.db2.gz KBIVPMABWMPBNH-SDDRHHMPSA-N 2 2 271.361 -0.861 20 0 CBADLP CN(C)c1ncc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)cn1 ZINC000358129727 353628530 /nfs/dbraw/zinc/62/85/30/353628530.db2.gz DSNAHRDDHXDURN-CYBMUJFWSA-N 2 2 265.361 -0.301 20 0 CBADLP CN(C)c1ncc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cn1 ZINC000358129727 353628531 /nfs/dbraw/zinc/62/85/31/353628531.db2.gz DSNAHRDDHXDURN-CYBMUJFWSA-N 2 2 265.361 -0.301 20 0 CBADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@]2(C)CCCC[NH2+]2)CC1 ZINC000357803329 353606970 /nfs/dbraw/zinc/60/69/70/353606970.db2.gz HZTMAROOXJJYQS-HNNXBMFYSA-N 2 2 296.415 -0.073 20 0 CBADLP CC(C)Cn1cc[nH+]c1CNC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000357900000 353613120 /nfs/dbraw/zinc/61/31/20/353613120.db2.gz AIOSWUJDIKTHIU-WDEREUQCSA-N 2 2 266.345 -0.122 20 0 CBADLP Cc1nc(N2CC[NH+]([C@@H]3COC[C@H]3O)CC2)cc[nH+]1 ZINC000361337266 353662105 /nfs/dbraw/zinc/66/21/05/353662105.db2.gz UPFFTOYTMXYATE-VXGBXAGGSA-N 2 2 264.329 -0.333 20 0 CBADLP C[C@@H](C[NH3+])C(=O)N1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000367507230 353682378 /nfs/dbraw/zinc/68/23/78/353682378.db2.gz KATVKIPWXGGVMJ-NWDGAFQWSA-N 2 2 282.388 -0.606 20 0 CBADLP C[NH2+]CCCC(=O)NC[C@]1([NH+]2CCOCC2)CCCOC1 ZINC000370776351 353692196 /nfs/dbraw/zinc/69/21/96/353692196.db2.gz ZSBNSKQLJREHIE-OAHLLOKOSA-N 2 2 299.415 -0.016 20 0 CBADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCCNS(C)(=O)=O ZINC000359677564 353654888 /nfs/dbraw/zinc/65/48/88/353654888.db2.gz MQFDZTMZVPPSLN-CMPLNLGQSA-N 2 2 275.418 -0.002 20 0 CBADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCCNS(C)(=O)=O ZINC000359677564 353654890 /nfs/dbraw/zinc/65/48/90/353654890.db2.gz MQFDZTMZVPPSLN-CMPLNLGQSA-N 2 2 275.418 -0.002 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@@]2(F)CC[NH2+]C2)CC1 ZINC000371264113 353698684 /nfs/dbraw/zinc/69/86/84/353698684.db2.gz IJVMXMTYLHRIHE-GFCCVEGCSA-N 2 2 259.325 -0.521 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[NH+](CC(C)(C)O)CC2)C1 ZINC000372549844 353718830 /nfs/dbraw/zinc/71/88/30/353718830.db2.gz ANRAKOXPGPVIEW-CYBMUJFWSA-N 2 2 299.415 -0.378 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N2CCC[NH+](CC(C)(C)O)CC2)C1 ZINC000372549844 353718832 /nfs/dbraw/zinc/71/88/32/353718832.db2.gz ANRAKOXPGPVIEW-CYBMUJFWSA-N 2 2 299.415 -0.378 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)N2CCC[N@H+](CC(C)(C)O)CC2)C1 ZINC000372549844 353718833 /nfs/dbraw/zinc/71/88/33/353718833.db2.gz ANRAKOXPGPVIEW-CYBMUJFWSA-N 2 2 299.415 -0.378 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)N2CCC[N@@H+](CC(C)(C)O)CC2)C1 ZINC000372549844 353718836 /nfs/dbraw/zinc/71/88/36/353718836.db2.gz ANRAKOXPGPVIEW-CYBMUJFWSA-N 2 2 299.415 -0.378 20 0 CBADLP C[NH+](C)CC(=O)N1CCC[C@@H](C(=O)N2CC[NH+](C)CC2)C1 ZINC000372568371 353719823 /nfs/dbraw/zinc/71/98/23/353719823.db2.gz XHRIKOWGLVVJKX-CYBMUJFWSA-N 2 2 296.415 -0.439 20 0 CBADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@H]1COCC[NH2+]1 ZINC000373039742 353725659 /nfs/dbraw/zinc/72/56/59/353725659.db2.gz MGABTQOBVAUHNA-YUSALJHKSA-N 2 2 253.346 -0.426 20 0 CBADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)[C@H]1COCC[NH2+]1 ZINC000373039742 353725660 /nfs/dbraw/zinc/72/56/60/353725660.db2.gz MGABTQOBVAUHNA-YUSALJHKSA-N 2 2 253.346 -0.426 20 0 CBADLP C[C@H]([NH3+])C(=O)N1CC[N@H+](C[C@H]2CN(C)CCO2)C[C@H]1C ZINC000374798507 353749147 /nfs/dbraw/zinc/74/91/47/353749147.db2.gz JVFCKNVKPSYVCB-FRRDWIJNSA-N 2 2 284.404 -0.803 20 0 CBADLP C[C@H]([NH3+])C(=O)N1CC[N@@H+](C[C@H]2CN(C)CCO2)C[C@H]1C ZINC000374798507 353749149 /nfs/dbraw/zinc/74/91/49/353749149.db2.gz JVFCKNVKPSYVCB-FRRDWIJNSA-N 2 2 284.404 -0.803 20 0 CBADLP C[C@@H]1CCOCC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000374992120 353751895 /nfs/dbraw/zinc/75/18/95/353751895.db2.gz VMBVNPXSXCGBRS-GFCCVEGCSA-N 2 2 255.362 -0.129 20 0 CBADLP C[C@@H]1CCOCC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000374992120 353751897 /nfs/dbraw/zinc/75/18/97/353751897.db2.gz VMBVNPXSXCGBRS-GFCCVEGCSA-N 2 2 255.362 -0.129 20 0 CBADLP CC[C@@H](CO)[NH+]1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000375421461 353759925 /nfs/dbraw/zinc/75/99/25/353759925.db2.gz HSRABRYRJPQCIY-QWRGUYRKSA-N 2 2 291.342 -0.101 20 0 CBADLP CC1(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)COC1 ZINC000375751557 353766601 /nfs/dbraw/zinc/76/66/01/353766601.db2.gz UCMMFHPDSBQEBZ-ZDUSSCGKSA-N 2 2 297.399 -0.454 20 0 CBADLP CC[C@H]1C[N@H+](CCS(=O)(=O)N(C)C)CC[C@H]1[NH3+] ZINC000383926416 353785897 /nfs/dbraw/zinc/78/58/97/353785897.db2.gz DTUSKSKZUUMSAQ-WDEREUQCSA-N 2 2 263.407 -0.063 20 0 CBADLP CC[C@H]1C[N@@H+](CCS(=O)(=O)N(C)C)CC[C@H]1[NH3+] ZINC000383926416 353785898 /nfs/dbraw/zinc/78/58/98/353785898.db2.gz DTUSKSKZUUMSAQ-WDEREUQCSA-N 2 2 263.407 -0.063 20 0 CBADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+]([C@@H]2CC(=O)N(C)C2=O)C1 ZINC000378288344 353780297 /nfs/dbraw/zinc/78/02/97/353780297.db2.gz XNGFSURSCRXWDF-VHSXEESVSA-N 2 2 262.313 -0.033 20 0 CBADLP Cn1cc[nH+]c1[C@H]1CC[N@H+]([C@@H]2CC(=O)N(C)C2=O)C1 ZINC000378288344 353780300 /nfs/dbraw/zinc/78/03/00/353780300.db2.gz XNGFSURSCRXWDF-VHSXEESVSA-N 2 2 262.313 -0.033 20 0 CBADLP CC(C)[NH+]1CCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000382386895 353784061 /nfs/dbraw/zinc/78/40/61/353784061.db2.gz SSXWZUNYAZZHMM-LBPRGKRZSA-N 2 2 291.417 -0.669 20 0 CBADLP CC[C@@H]1C[N@H+](C[C@@H](O)C[NH+](C)CCOC)C[C@@H]1O ZINC000400050296 353798882 /nfs/dbraw/zinc/79/88/82/353798882.db2.gz WLQJVKVMLRPHRW-AGIUHOORSA-N 2 2 260.378 -0.372 20 0 CBADLP CC[C@@H]1C[N@@H+](C[C@@H](O)C[NH+](C)CCOC)C[C@@H]1O ZINC000400050296 353798886 /nfs/dbraw/zinc/79/88/86/353798886.db2.gz WLQJVKVMLRPHRW-AGIUHOORSA-N 2 2 260.378 -0.372 20 0 CBADLP CC[C@@H]1C[NH+](C[C@@H](O)C[N@H+](C)CCOC)C[C@@H]1O ZINC000400050296 353798889 /nfs/dbraw/zinc/79/88/89/353798889.db2.gz WLQJVKVMLRPHRW-AGIUHOORSA-N 2 2 260.378 -0.372 20 0 CBADLP CC[C@@H]1C[NH+](C[C@@H](O)C[N@@H+](C)CCOC)C[C@@H]1O ZINC000400050296 353798891 /nfs/dbraw/zinc/79/88/91/353798891.db2.gz WLQJVKVMLRPHRW-AGIUHOORSA-N 2 2 260.378 -0.372 20 0 CBADLP C[C@H]([NH2+][C@@H]1CCN(S(C)(=O)=O)C1)[C@@H]1CCC[NH2+]1 ZINC000400179607 353799973 /nfs/dbraw/zinc/79/99/73/353799973.db2.gz QVBGDYUKSAVBQR-AXFHLTTASA-N 2 2 261.391 -0.250 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](O)C[C@H](C)C1 ZINC000401581302 353802482 /nfs/dbraw/zinc/80/24/82/353802482.db2.gz KFGSLYFAHOHFHG-XQQFMLRXSA-N 2 2 260.378 -0.372 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](O)C[C@H](C)C1 ZINC000401581302 353802485 /nfs/dbraw/zinc/80/24/85/353802485.db2.gz KFGSLYFAHOHFHG-XQQFMLRXSA-N 2 2 260.378 -0.372 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](O)C[C@H](C)C1 ZINC000401581302 353802488 /nfs/dbraw/zinc/80/24/88/353802488.db2.gz KFGSLYFAHOHFHG-XQQFMLRXSA-N 2 2 260.378 -0.372 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](O)C[C@H](C)C1 ZINC000401581302 353802492 /nfs/dbraw/zinc/80/24/92/353802492.db2.gz KFGSLYFAHOHFHG-XQQFMLRXSA-N 2 2 260.378 -0.372 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)N2CC[NH+](C[C@H](C)O)CC2)[N@H+](C)C1 ZINC000408046327 353836576 /nfs/dbraw/zinc/83/65/76/353836576.db2.gz KSSSVEQOJLDKPT-AVGNSLFASA-N 2 2 285.388 -0.770 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)N2CC[NH+](C[C@H](C)O)CC2)[N@@H+](C)C1 ZINC000408046327 353836578 /nfs/dbraw/zinc/83/65/78/353836578.db2.gz KSSSVEQOJLDKPT-AVGNSLFASA-N 2 2 285.388 -0.770 20 0 CBADLP O=C(CCn1cc[nH+]c1)NC[C@H]1C[NH2+]CCCO1 ZINC000389827594 353791056 /nfs/dbraw/zinc/79/10/56/353791056.db2.gz OZYGHLQADGHJJS-LLVKDONJSA-N 2 2 252.318 -0.232 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](C(=O)OC)C1 ZINC000394032290 353793873 /nfs/dbraw/zinc/79/38/73/353793873.db2.gz LPOUGKBCQOMFMV-NWDGAFQWSA-N 2 2 274.361 -0.580 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](C(=O)OC)C1 ZINC000394032290 353793877 /nfs/dbraw/zinc/79/38/77/353793877.db2.gz LPOUGKBCQOMFMV-NWDGAFQWSA-N 2 2 274.361 -0.580 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](C(=O)OC)C1 ZINC000394032290 353793880 /nfs/dbraw/zinc/79/38/80/353793880.db2.gz LPOUGKBCQOMFMV-NWDGAFQWSA-N 2 2 274.361 -0.580 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](C(=O)OC)C1 ZINC000394032290 353793883 /nfs/dbraw/zinc/79/38/83/353793883.db2.gz LPOUGKBCQOMFMV-NWDGAFQWSA-N 2 2 274.361 -0.580 20 0 CBADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NC(N)=O)C[C@H]1C ZINC000408218181 353874516 /nfs/dbraw/zinc/87/45/16/353874516.db2.gz PRTOHZJQLXPDOQ-NXEZZACHSA-N 2 2 256.350 -0.014 20 0 CBADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NC(N)=O)C[C@H]1C ZINC000408218181 353874517 /nfs/dbraw/zinc/87/45/17/353874517.db2.gz PRTOHZJQLXPDOQ-NXEZZACHSA-N 2 2 256.350 -0.014 20 0 CBADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NC(N)=O)C[C@H]1C ZINC000408218181 353874518 /nfs/dbraw/zinc/87/45/18/353874518.db2.gz PRTOHZJQLXPDOQ-NXEZZACHSA-N 2 2 256.350 -0.014 20 0 CBADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NC(N)=O)C[C@H]1C ZINC000408218181 353874520 /nfs/dbraw/zinc/87/45/20/353874520.db2.gz PRTOHZJQLXPDOQ-NXEZZACHSA-N 2 2 256.350 -0.014 20 0 CBADLP C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000408422984 353914950 /nfs/dbraw/zinc/91/49/50/353914950.db2.gz VMOFKTZUFDGQCX-VXGBXAGGSA-N 2 2 278.356 -0.108 20 0 CBADLP C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000408422984 353914953 /nfs/dbraw/zinc/91/49/53/353914953.db2.gz VMOFKTZUFDGQCX-VXGBXAGGSA-N 2 2 278.356 -0.108 20 0 CBADLP C[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000408438533 353918577 /nfs/dbraw/zinc/91/85/77/353918577.db2.gz IXEMCWMABCUNGG-OLZOCXBDSA-N 2 2 292.383 -0.030 20 0 CBADLP CC(C)[NH+]1CCC(NC(=O)C[NH+]2C[C@H](O)[C@@H](O)C2)CC1 ZINC000408443678 353920433 /nfs/dbraw/zinc/92/04/33/353920433.db2.gz QRSUTWHCGRFZMH-STQMWFEESA-N 2 2 285.388 -0.987 20 0 CBADLP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N2CC[NH+](C)CC2)C1 ZINC000410466770 353929185 /nfs/dbraw/zinc/92/91/85/353929185.db2.gz JGYUYSZGESURHP-LBPRGKRZSA-N 2 2 282.388 -0.687 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[N@H+](C)CC[C@H]2C)CC1 ZINC000410477422 353929217 /nfs/dbraw/zinc/92/92/17/353929217.db2.gz UFKUMTKDUYLHBX-CYBMUJFWSA-N 2 2 296.415 -0.297 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[N@@H+](C)CC[C@H]2C)CC1 ZINC000410477422 353929218 /nfs/dbraw/zinc/92/92/18/353929218.db2.gz UFKUMTKDUYLHBX-CYBMUJFWSA-N 2 2 296.415 -0.297 20 0 CBADLP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000410732003 353936805 /nfs/dbraw/zinc/93/68/05/353936805.db2.gz RDDVDZXRHZWPGL-CYBMUJFWSA-N 2 2 296.415 -0.441 20 0 CBADLP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[NH+](C)CC2)CC[N@H+]1C ZINC000410732003 353936807 /nfs/dbraw/zinc/93/68/07/353936807.db2.gz RDDVDZXRHZWPGL-CYBMUJFWSA-N 2 2 296.415 -0.441 20 0 CBADLP CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000410912647 353938737 /nfs/dbraw/zinc/93/87/37/353938737.db2.gz UZDMUVKAURLTJN-UHFFFAOYSA-N 2 2 298.431 -0.049 20 0 CBADLP C[NH2+][C@@H]1CCCN(C(=O)NCC[NH+]2CCOCC2)C1 ZINC000416431026 353969275 /nfs/dbraw/zinc/96/92/75/353969275.db2.gz GIACERCVOHFMAY-GFCCVEGCSA-N 2 2 270.377 -0.288 20 0 CBADLP [NH3+]CC(F)(F)CNC(=O)NCC[NH+]1CCOCC1 ZINC000416443737 353969966 /nfs/dbraw/zinc/96/99/66/353969966.db2.gz ZSVSLXLZALYGRX-UHFFFAOYSA-N 2 2 266.292 -0.788 20 0 CBADLP CC(C)(CNC(=O)NCC(F)(F)C[NH3+])[NH+]1CCOCC1 ZINC000416829485 353973920 /nfs/dbraw/zinc/97/39/20/353973920.db2.gz PYCNWQNLVBURDS-UHFFFAOYSA-N 2 2 294.346 -0.010 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[NH2+][C@H](C)C1 ZINC000417021558 353974529 /nfs/dbraw/zinc/97/45/29/353974529.db2.gz IOKTUJJYZUTEKC-VXGBXAGGSA-N 2 2 270.377 -0.290 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000417023576 353975552 /nfs/dbraw/zinc/97/55/52/353975552.db2.gz JZRSHDKXRUAVJG-JQWIXIFHSA-N 2 2 270.377 -0.256 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NCC(C)(C)[NH3+] ZINC000417028951 353975925 /nfs/dbraw/zinc/97/59/25/353975925.db2.gz NPGADSJZUHIAMP-SNVBAGLBSA-N 2 2 258.366 -0.256 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)NC(C)(C)C[NH3+] ZINC000417503185 353978571 /nfs/dbraw/zinc/97/85/71/353978571.db2.gz CJQSKMWPUNUPLI-JTQLQIEISA-N 2 2 258.366 -0.256 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)NC(C)(C)C[NH3+] ZINC000417503185 353978574 /nfs/dbraw/zinc/97/85/74/353978574.db2.gz CJQSKMWPUNUPLI-JTQLQIEISA-N 2 2 258.366 -0.256 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N(C)C1CC([NH3+])C1 ZINC000417514323 353978666 /nfs/dbraw/zinc/97/86/66/353978666.db2.gz JFSDGHWPCWUJLG-UNXYVOJBSA-N 2 2 270.377 -0.162 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)N(C)C1CC([NH3+])C1 ZINC000417514323 353978669 /nfs/dbraw/zinc/97/86/69/353978669.db2.gz JFSDGHWPCWUJLG-UNXYVOJBSA-N 2 2 270.377 -0.162 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000417500399 353978676 /nfs/dbraw/zinc/97/86/76/353978676.db2.gz GCRPFFRTZCCHMP-UWVGGRQHSA-N 2 2 294.346 -0.011 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000417500399 353978679 /nfs/dbraw/zinc/97/86/79/353978679.db2.gz GCRPFFRTZCCHMP-UWVGGRQHSA-N 2 2 294.346 -0.011 20 0 CBADLP C[C@H](C[NH3+])CNC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000417518245 353978946 /nfs/dbraw/zinc/97/89/46/353978946.db2.gz KGZBPMNVZJSFOW-UTUOFQBUSA-N 2 2 272.393 -0.010 20 0 CBADLP COCC[NH2+]CCNC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000417523568 353979143 /nfs/dbraw/zinc/97/91/43/353979143.db2.gz IEUIJZBTVFUWQW-GFCCVEGCSA-N 2 2 288.392 -0.758 20 0 CBADLP COCC[NH2+]CCNC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000417523568 353979148 /nfs/dbraw/zinc/97/91/48/353979148.db2.gz IEUIJZBTVFUWQW-GFCCVEGCSA-N 2 2 288.392 -0.758 20 0 CBADLP C[C@@H](CC[NH3+])NC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000417534119 353979440 /nfs/dbraw/zinc/97/94/40/353979440.db2.gz YMZAUGIPEHSIDB-QWRGUYRKSA-N 2 2 258.366 -0.256 20 0 CBADLP C[C@@H](CC[NH3+])NC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000417534119 353979444 /nfs/dbraw/zinc/97/94/44/353979444.db2.gz YMZAUGIPEHSIDB-QWRGUYRKSA-N 2 2 258.366 -0.256 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)NC[C@H]1CCC[NH2+]1 ZINC000417531905 353980346 /nfs/dbraw/zinc/98/03/46/353980346.db2.gz VGMMHWQJFDCIBL-NWDGAFQWSA-N 2 2 270.377 -0.242 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)NC[C@H]1CCC[NH2+]1 ZINC000417531905 353980349 /nfs/dbraw/zinc/98/03/49/353980349.db2.gz VGMMHWQJFDCIBL-NWDGAFQWSA-N 2 2 270.377 -0.242 20 0 CBADLP CC[NH2+]CCNC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000418109438 353987442 /nfs/dbraw/zinc/98/74/42/353987442.db2.gz CTLBGWLRYAOYHN-UHFFFAOYSA-N 2 2 270.377 -0.240 20 0 CBADLP CC[NH2+]CCNC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000418207768 353988660 /nfs/dbraw/zinc/98/86/60/353988660.db2.gz IHWKIDFSHNCDJY-GFCCVEGCSA-N 2 2 270.377 -0.242 20 0 CBADLP CC[NH2+]CCNC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000418207768 353988663 /nfs/dbraw/zinc/98/86/63/353988663.db2.gz IHWKIDFSHNCDJY-GFCCVEGCSA-N 2 2 270.377 -0.242 20 0 CBADLP C[C@@H](O)CNc1cc(N2CC[N@H+](CCO)C[C@H]2C)nc[nH+]1 ZINC000413309825 353953539 /nfs/dbraw/zinc/95/35/39/353953539.db2.gz BOENKRHZJUNZOR-VXGBXAGGSA-N 2 2 295.387 -0.228 20 0 CBADLP C[C@@H](O)CNc1cc(N2CC[N@@H+](CCO)C[C@H]2C)nc[nH+]1 ZINC000413309825 353953544 /nfs/dbraw/zinc/95/35/44/353953544.db2.gz BOENKRHZJUNZOR-VXGBXAGGSA-N 2 2 295.387 -0.228 20 0 CBADLP COC(=O)[C@H]1CN(C(=O)C[NH+](C)C)CC[N@H+](C)C1 ZINC000413928765 353960821 /nfs/dbraw/zinc/96/08/21/353960821.db2.gz ZGXIMHMLBDTEAU-SNVBAGLBSA-N 2 2 257.334 -0.889 20 0 CBADLP COC(=O)[C@H]1CN(C(=O)C[NH+](C)C)CC[N@@H+](C)C1 ZINC000413928765 353960826 /nfs/dbraw/zinc/96/08/26/353960826.db2.gz ZGXIMHMLBDTEAU-SNVBAGLBSA-N 2 2 257.334 -0.889 20 0 CBADLP [NH3+]CCC[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000414688648 353963343 /nfs/dbraw/zinc/96/33/43/353963343.db2.gz DMXFTYKYVQPTRC-UHFFFAOYSA-N 3 2 254.378 -0.425 20 0 CBADLP CC[C@H]1C[N@H+](CCNC(=O)NC[C@H](C)C[NH3+])CCO1 ZINC000418479398 353998824 /nfs/dbraw/zinc/99/88/24/353998824.db2.gz YRVGQBYQHZQHDV-NEPJUHHUSA-N 2 2 272.393 -0.009 20 0 CBADLP CC[C@H]1C[N@@H+](CCNC(=O)NC[C@H](C)C[NH3+])CCO1 ZINC000418479398 353998827 /nfs/dbraw/zinc/99/88/27/353998827.db2.gz YRVGQBYQHZQHDV-NEPJUHHUSA-N 2 2 272.393 -0.009 20 0 CBADLP C[C@H]1C[N@H+](CCO)CCN1C(=O)NCC(F)(F)C[NH3+] ZINC000418517966 354001659 /nfs/dbraw/zinc/00/16/59/354001659.db2.gz WJTAGJCDKALWJX-VIFPVBQESA-N 2 2 280.319 -0.712 20 0 CBADLP C[C@H]1C[N@@H+](CCO)CCN1C(=O)NCC(F)(F)C[NH3+] ZINC000418517966 354001660 /nfs/dbraw/zinc/00/16/60/354001660.db2.gz WJTAGJCDKALWJX-VIFPVBQESA-N 2 2 280.319 -0.712 20 0 CBADLP C[C@@H]1CCCN(C(=O)C(=O)NCCn2cc[nH+]c2)[C@H]1C[NH3+] ZINC000418886189 354014186 /nfs/dbraw/zinc/01/41/86/354014186.db2.gz KIZJCZPMNJYHCA-NEPJUHHUSA-N 2 2 293.371 -0.415 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000419686973 354069876 /nfs/dbraw/zinc/06/98/76/354069876.db2.gz OPDDLVGFFQOESN-NSHDSACASA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@@H]1CN(C(=O)C(=O)NCCCn2cc[nH+]c2)[C@@H](C)C[NH2+]1 ZINC000419727395 354073131 /nfs/dbraw/zinc/07/31/31/354073131.db2.gz WJPZSLIWVVRYNW-NEPJUHHUSA-N 2 2 293.371 -0.402 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000419884244 354089538 /nfs/dbraw/zinc/08/95/38/354089538.db2.gz FTGLBSASCIVVHF-LLVKDONJSA-N 2 2 268.361 -0.981 20 0 CBADLP CCC[NH2+]CCNC(=O)C(=O)N1CC[NH+](CC)CC1 ZINC000419907520 354092969 /nfs/dbraw/zinc/09/29/69/354092969.db2.gz GGXAKIXRLRLGQJ-UHFFFAOYSA-N 2 2 270.377 -0.734 20 0 CBADLP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000419933699 354094426 /nfs/dbraw/zinc/09/44/26/354094426.db2.gz FPSQKNIDCRPVLZ-NSHDSACASA-N 2 2 282.388 -0.735 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)CC1 ZINC000420045103 354105111 /nfs/dbraw/zinc/10/51/11/354105111.db2.gz ULXWADCVRXBJNW-NSHDSACASA-N 2 2 268.361 -0.996 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)NCC([NH3+])(CC)CC)CC1 ZINC000420079574 354108058 /nfs/dbraw/zinc/10/80/58/354108058.db2.gz IFWNVWSOPUXERG-UHFFFAOYSA-N 2 2 284.404 -0.216 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000420087258 354108105 /nfs/dbraw/zinc/10/81/05/354108105.db2.gz BIHVCJQRXLEPFF-HNNXBMFYSA-N 2 2 296.415 -0.344 20 0 CBADLP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000420157799 354115024 /nfs/dbraw/zinc/11/50/24/354115024.db2.gz XMTLVBKZGTYIGD-SECBINFHSA-N 2 2 292.330 -0.751 20 0 CBADLP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000420157799 354115026 /nfs/dbraw/zinc/11/50/26/354115026.db2.gz XMTLVBKZGTYIGD-SECBINFHSA-N 2 2 292.330 -0.751 20 0 CBADLP C[C@H](C(=O)N(C)C)[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000420301515 354121915 /nfs/dbraw/zinc/12/19/15/354121915.db2.gz FDVICYVYQWJRDS-NEPJUHHUSA-N 2 2 282.388 -0.641 20 0 CBADLP C[C@H](C(=O)N(C)C)[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000420301515 354121916 /nfs/dbraw/zinc/12/19/16/354121916.db2.gz FDVICYVYQWJRDS-NEPJUHHUSA-N 2 2 282.388 -0.641 20 0 CBADLP C[C@@H](C(=O)N(C)C)[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000420301519 354121995 /nfs/dbraw/zinc/12/19/95/354121995.db2.gz FDVICYVYQWJRDS-NWDGAFQWSA-N 2 2 282.388 -0.641 20 0 CBADLP C[C@@H](C(=O)N(C)C)[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000420301519 354121996 /nfs/dbraw/zinc/12/19/96/354121996.db2.gz FDVICYVYQWJRDS-NWDGAFQWSA-N 2 2 282.388 -0.641 20 0 CBADLP CCOC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000420307094 354123378 /nfs/dbraw/zinc/12/33/78/354123378.db2.gz LSXHVCYIGCJZHW-VXGBXAGGSA-N 2 2 283.372 -0.166 20 0 CBADLP CCOC(=O)[C@@H](C)[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000420307094 354123381 /nfs/dbraw/zinc/12/33/81/354123381.db2.gz LSXHVCYIGCJZHW-VXGBXAGGSA-N 2 2 283.372 -0.166 20 0 CBADLP CNS(=O)(=O)CCC[N@@H+]1CC[C@H](C)C[C@H]1C[NH3+] ZINC000420328765 354124057 /nfs/dbraw/zinc/12/40/57/354124057.db2.gz FRCKSVIMNYOQDW-QWRGUYRKSA-N 2 2 263.407 -0.015 20 0 CBADLP CNS(=O)(=O)CCC[N@H+]1CC[C@H](C)C[C@H]1C[NH3+] ZINC000420328765 354124064 /nfs/dbraw/zinc/12/40/64/354124064.db2.gz FRCKSVIMNYOQDW-QWRGUYRKSA-N 2 2 263.407 -0.015 20 0 CBADLP C[C@@H](C(=O)NCCc1ccccc1)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420354140 354125080 /nfs/dbraw/zinc/12/50/80/354125080.db2.gz OGDQZDXXOYZNHT-GXTWGEPZSA-N 2 2 279.384 -0.015 20 0 CBADLP C[C@@H](C(=O)NCCc1ccccc1)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420354140 354125084 /nfs/dbraw/zinc/12/50/84/354125084.db2.gz OGDQZDXXOYZNHT-GXTWGEPZSA-N 2 2 279.384 -0.015 20 0 CBADLP C[N@@H+](CC(=O)NCCOc1cccc(F)c1)C[C@@H](O)C[NH3+] ZINC000420353452 354125474 /nfs/dbraw/zinc/12/54/74/354125474.db2.gz NIEZBALIILTSFR-LBPRGKRZSA-N 2 2 299.346 -0.428 20 0 CBADLP C[N@H+](CC(=O)NCCOc1cccc(F)c1)C[C@@H](O)C[NH3+] ZINC000420353452 354125476 /nfs/dbraw/zinc/12/54/76/354125476.db2.gz NIEZBALIILTSFR-LBPRGKRZSA-N 2 2 299.346 -0.428 20 0 CBADLP Cc1ccccc1CNC(=O)C[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420352070 354125548 /nfs/dbraw/zinc/12/55/48/354125548.db2.gz LTXIPQCEDJXJTK-ZDUSSCGKSA-N 2 2 265.357 -0.137 20 0 CBADLP Cc1ccccc1CNC(=O)C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420352070 354125552 /nfs/dbraw/zinc/12/55/52/354125552.db2.gz LTXIPQCEDJXJTK-ZDUSSCGKSA-N 2 2 265.357 -0.137 20 0 CBADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CCC(=O)N1CC[NH2+]CC1 ZINC000420366286 354125728 /nfs/dbraw/zinc/12/57/28/354125728.db2.gz LZZNXXVSDZIPSS-DYEKYZERSA-N 3 2 268.405 -0.216 20 0 CBADLP Cc1cccc(OCCNC(=O)C[N@H+](C)C[C@@H](O)C[NH3+])c1 ZINC000420357027 354125906 /nfs/dbraw/zinc/12/59/06/354125906.db2.gz ROQFXZNRMSYGBX-ZDUSSCGKSA-N 2 2 295.383 -0.259 20 0 CBADLP Cc1cccc(OCCNC(=O)C[N@@H+](C)C[C@@H](O)C[NH3+])c1 ZINC000420357027 354125909 /nfs/dbraw/zinc/12/59/09/354125909.db2.gz ROQFXZNRMSYGBX-ZDUSSCGKSA-N 2 2 295.383 -0.259 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCCO[C@@H](C[NH3+])C2)CC1 ZINC000420398093 354126399 /nfs/dbraw/zinc/12/63/99/354126399.db2.gz YKIRHEBQXMPCLJ-KGLIPLIRSA-N 3 2 298.431 -0.411 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCCO[C@@H](C[NH3+])C2)CC1 ZINC000420398093 354126402 /nfs/dbraw/zinc/12/64/02/354126402.db2.gz YKIRHEBQXMPCLJ-KGLIPLIRSA-N 3 2 298.431 -0.411 20 0 CBADLP COC(=O)CCNC(=O)C[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000420380688 354126566 /nfs/dbraw/zinc/12/65/66/354126566.db2.gz YPDAODNSVMWCCL-OUJBWJOFSA-N 2 2 271.361 -0.358 20 0 CBADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000423201970 354165549 /nfs/dbraw/zinc/16/55/49/354165549.db2.gz JVHUQFIEZADJLS-GXTWGEPZSA-N 3 2 252.406 -0.036 20 0 CBADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000423201970 354165552 /nfs/dbraw/zinc/16/55/52/354165552.db2.gz JVHUQFIEZADJLS-GXTWGEPZSA-N 3 2 252.406 -0.036 20 0 CBADLP C[C@H](CNC(=O)[C@H]([NH3+])C1CCC1)[NH+]1CCOCC1 ZINC000423332769 354169179 /nfs/dbraw/zinc/16/91/79/354169179.db2.gz RCKNVEVARVMURS-ZYHUDNBSSA-N 2 2 255.362 -0.049 20 0 CBADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NC[C@@]1(COC)CCC[NH2+]1 ZINC000423415747 354175676 /nfs/dbraw/zinc/17/56/76/354175676.db2.gz PIQLKNGRDGOITC-YRGRVCCFSA-N 2 2 285.388 -0.362 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@H](NC(C)=O)C2)CC1 ZINC000420987576 354139485 /nfs/dbraw/zinc/13/94/85/354139485.db2.gz OMLXBHOIEPTNJZ-OCCSQVGLSA-N 2 2 296.415 -0.251 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@H](NC(C)=O)C2)CC1 ZINC000420987576 354139487 /nfs/dbraw/zinc/13/94/87/354139487.db2.gz OMLXBHOIEPTNJZ-OCCSQVGLSA-N 2 2 296.415 -0.251 20 0 CBADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000422708319 354151135 /nfs/dbraw/zinc/15/11/35/354151135.db2.gz BOAHPLPKBFIMMW-STQMWFEESA-N 3 2 268.405 -0.262 20 0 CBADLP O=C(N[C@@H]1CC[NH2+]C1)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000422746855 354152516 /nfs/dbraw/zinc/15/25/16/354152516.db2.gz OOEYCEZTFRKJFQ-OLZOCXBDSA-N 2 2 267.373 -0.035 20 0 CBADLP O=C(N[C@@H]1CC[NH2+]C1)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000422746855 354152519 /nfs/dbraw/zinc/15/25/19/354152519.db2.gz OOEYCEZTFRKJFQ-OLZOCXBDSA-N 2 2 267.373 -0.035 20 0 CBADLP CCOC(=O)[C@H]1[NH2+]CC[C@H]1NCC[N@H+](C)CCOC ZINC000422906266 354157269 /nfs/dbraw/zinc/15/72/69/354157269.db2.gz JKXDCRZLSCFFEY-NEPJUHHUSA-N 2 2 273.377 -0.552 20 0 CBADLP CCOC(=O)[C@H]1[NH2+]CC[C@H]1NCC[N@@H+](C)CCOC ZINC000422906266 354157271 /nfs/dbraw/zinc/15/72/71/354157271.db2.gz JKXDCRZLSCFFEY-NEPJUHHUSA-N 2 2 273.377 -0.552 20 0 CBADLP COC(=O)c1cn(CC[NH2+][C@@H]2C[NH2+]CC[C@H]2C)nn1 ZINC000423098505 354162715 /nfs/dbraw/zinc/16/27/15/354162715.db2.gz CYDVFUSFVMHCLU-NXEZZACHSA-N 2 2 267.333 -0.348 20 0 CBADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CC3CC3)CC2)CC[NH2+]1 ZINC000423139220 354163579 /nfs/dbraw/zinc/16/35/79/354163579.db2.gz ZIWNFKALUXBVGS-GFCCVEGCSA-N 2 2 294.399 -0.639 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000423558216 354179999 /nfs/dbraw/zinc/17/99/99/354179999.db2.gz LBAKXSMYEZRJNW-NEPJUHHUSA-N 2 2 284.404 -0.443 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000423558216 354180002 /nfs/dbraw/zinc/18/00/02/354180002.db2.gz LBAKXSMYEZRJNW-NEPJUHHUSA-N 2 2 284.404 -0.443 20 0 CBADLP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000423590025 354182089 /nfs/dbraw/zinc/18/20/89/354182089.db2.gz AXMNEKOMNNEILR-LBPRGKRZSA-N 2 2 284.404 -0.408 20 0 CBADLP C[NH+]1CCN(C(=O)C(=O)N2CCCC[C@@H]2C[NH3+])CC1 ZINC000423611149 354184795 /nfs/dbraw/zinc/18/47/95/354184795.db2.gz RSBNSKUQMSQHDT-LLVKDONJSA-N 2 2 268.361 -0.900 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000423610834 354184875 /nfs/dbraw/zinc/18/48/75/354184875.db2.gz NBMXHRXRPHDVLA-RYUDHWBXSA-N 2 2 284.404 -0.348 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000423610834 354184876 /nfs/dbraw/zinc/18/48/76/354184876.db2.gz NBMXHRXRPHDVLA-RYUDHWBXSA-N 2 2 284.404 -0.348 20 0 CBADLP CC(C)[NH+]1CCN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2C)CC1 ZINC000423614799 354184967 /nfs/dbraw/zinc/18/49/67/354184967.db2.gz XNTQBBFFVILWDN-LBPRGKRZSA-N 2 2 282.388 -0.641 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)CC1 ZINC000423623834 354185824 /nfs/dbraw/zinc/18/58/24/354185824.db2.gz CICBSZIABABGSN-NEPJUHHUSA-N 2 2 282.388 -0.641 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000423632730 354186895 /nfs/dbraw/zinc/18/68/95/354186895.db2.gz KGRUQPDSGHYANP-YWPYICTPSA-N 2 2 298.431 -0.055 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000423632730 354186900 /nfs/dbraw/zinc/18/69/00/354186900.db2.gz KGRUQPDSGHYANP-YWPYICTPSA-N 2 2 298.431 -0.055 20 0 CBADLP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000423651107 354188642 /nfs/dbraw/zinc/18/86/42/354188642.db2.gz NEZMXYZFJCXLPC-GFCCVEGCSA-N 2 2 294.399 -0.497 20 0 CBADLP C[C@@H]1CN(C(=O)C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)C[C@H](C)[N@@H+]1C ZINC000423670351 354190209 /nfs/dbraw/zinc/19/02/09/354190209.db2.gz AVQCTDSQDVKBMI-ZDEQEGDKSA-N 2 2 296.415 -0.254 20 0 CBADLP C[C@@H]1CN(C(=O)C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)C[C@H](C)[N@H+]1C ZINC000423670351 354190213 /nfs/dbraw/zinc/19/02/13/354190213.db2.gz AVQCTDSQDVKBMI-ZDEQEGDKSA-N 2 2 296.415 -0.254 20 0 CBADLP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000423678396 354191263 /nfs/dbraw/zinc/19/12/63/354191263.db2.gz KZCOOSWEBUEBQC-RYUDHWBXSA-N 2 2 282.388 -0.511 20 0 CBADLP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000423701791 354193061 /nfs/dbraw/zinc/19/30/61/354193061.db2.gz AIEBRLWEGWEDAI-LBPRGKRZSA-N 2 2 282.388 -0.639 20 0 CBADLP C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](C)CC2)C[C@@H]1C[NH3+] ZINC000423708898 354193236 /nfs/dbraw/zinc/19/32/36/354193236.db2.gz NHGVZTFOHXDLFS-RYUDHWBXSA-N 2 2 282.388 -0.796 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])CC1 ZINC000423747005 354195940 /nfs/dbraw/zinc/19/59/40/354195940.db2.gz YRQCOJYHFHYEBJ-QWHCGFSZSA-N 2 2 296.415 -0.264 20 0 CBADLP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](CC)CC1 ZINC000423743747 354196211 /nfs/dbraw/zinc/19/62/11/354196211.db2.gz MBGGUISALYTZAG-ZDUSSCGKSA-N 2 2 296.415 -0.249 20 0 CBADLP COC(=O)CN(CC[NH+]1CCOCC1)C(=O)C[C@@H](C)[NH3+] ZINC000423756946 354198542 /nfs/dbraw/zinc/19/85/42/354198542.db2.gz LSZKCADZFMHUKD-LLVKDONJSA-N 2 2 287.360 -0.943 20 0 CBADLP COC[C@@]1(C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)CC[NH2+]C1 ZINC000424193822 354217618 /nfs/dbraw/zinc/21/76/18/354217618.db2.gz RHZYLCFIHPDRHG-CMPLNLGQSA-N 2 2 291.342 -0.027 20 0 CBADLP CC[C@H]([NH3+])C(=O)N1CC[NH+]([C@H](C)CC(=O)OC)CC1 ZINC000423781324 354199267 /nfs/dbraw/zinc/19/92/67/354199267.db2.gz HWAAUBLLKBZYTM-MNOVXSKESA-N 2 2 271.361 -0.181 20 0 CBADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)[C@H]2CC[NH2+]2)C[C@H](C)O1 ZINC000423769685 354199759 /nfs/dbraw/zinc/19/97/59/354199759.db2.gz ZYPKSZUMNJGIRU-GRYCIOLGSA-N 2 2 255.362 -0.084 20 0 CBADLP C[C@@H]1C[N@H+](CCN(C)C(=O)[C@H]2CC[NH2+]2)C[C@H](C)O1 ZINC000423769685 354199766 /nfs/dbraw/zinc/19/97/66/354199766.db2.gz ZYPKSZUMNJGIRU-GRYCIOLGSA-N 2 2 255.362 -0.084 20 0 CBADLP C[NH2+]CC(=O)N1CC[N@H+](CCC(=O)OC)C[C@@H]1C ZINC000423862770 354201713 /nfs/dbraw/zinc/20/17/13/354201713.db2.gz UELCOKTVKGVMSF-JTQLQIEISA-N 2 2 257.334 -0.698 20 0 CBADLP C[NH2+]CC(=O)N1CC[N@@H+](CCC(=O)OC)C[C@@H]1C ZINC000423862770 354201718 /nfs/dbraw/zinc/20/17/18/354201718.db2.gz UELCOKTVKGVMSF-JTQLQIEISA-N 2 2 257.334 -0.698 20 0 CBADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H](C)[NH3+])[C@@H](C)C1 ZINC000423863440 354201834 /nfs/dbraw/zinc/20/18/34/354201834.db2.gz WGTRUWXXANDKNW-UWVGGRQHSA-N 2 2 257.334 -0.571 20 0 CBADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@H](C)[NH3+])[C@@H](C)C1 ZINC000423863440 354201835 /nfs/dbraw/zinc/20/18/35/354201835.db2.gz WGTRUWXXANDKNW-UWVGGRQHSA-N 2 2 257.334 -0.571 20 0 CBADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H](C)[NH3+])[C@H](C)C1 ZINC000423863339 354201876 /nfs/dbraw/zinc/20/18/76/354201876.db2.gz WGTRUWXXANDKNW-NXEZZACHSA-N 2 2 257.334 -0.571 20 0 CBADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H](C)[NH3+])[C@H](C)C1 ZINC000423863339 354201880 /nfs/dbraw/zinc/20/18/80/354201880.db2.gz WGTRUWXXANDKNW-NXEZZACHSA-N 2 2 257.334 -0.571 20 0 CBADLP C[C@H]([NH3+])C(=O)N(CC1CC1)C[C@@H]1C[N@H+](C)CCO1 ZINC000423881707 354203526 /nfs/dbraw/zinc/20/35/26/354203526.db2.gz WPWOAHMKXLNSFU-JQWIXIFHSA-N 2 2 255.362 -0.097 20 0 CBADLP C[C@H]([NH3+])C(=O)N(CC1CC1)C[C@@H]1C[N@@H+](C)CCO1 ZINC000423881707 354203530 /nfs/dbraw/zinc/20/35/30/354203530.db2.gz WPWOAHMKXLNSFU-JQWIXIFHSA-N 2 2 255.362 -0.097 20 0 CBADLP CO[C@H](C[NH3+])C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424197127 354217743 /nfs/dbraw/zinc/21/77/43/354217743.db2.gz WHADAUVOQSSFDB-HTQZYQBOSA-N 2 2 251.277 -0.679 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2[NH3+])C[C@@H]1[NH+]1CCOCC1 ZINC000424140358 354210697 /nfs/dbraw/zinc/21/06/97/354210697.db2.gz FMFRSZJHXYPXQX-WYUUTHIRSA-N 2 2 253.346 -0.487 20 0 CBADLP C[C@H]1CN(C(=O)[C@@H]2C[C@@H]2[NH3+])C[C@H]1[NH+]1CCOCC1 ZINC000424140354 354211032 /nfs/dbraw/zinc/21/10/32/354211032.db2.gz FMFRSZJHXYPXQX-WHOHXGKFSA-N 2 2 253.346 -0.487 20 0 CBADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)[C@@H]1COCC[NH2+]1 ZINC000424177471 354214906 /nfs/dbraw/zinc/21/49/06/354214906.db2.gz UOCUMBOZJNVMEV-RYUDHWBXSA-N 2 2 276.340 -0.235 20 0 CBADLP CN(CCCn1cc[nH+]c1)C(=O)[C@H]1C[NH2+]CCO1 ZINC000424174866 354215315 /nfs/dbraw/zinc/21/53/15/354215315.db2.gz PPDLZLPFVILKLO-LLVKDONJSA-N 2 2 252.318 -0.280 20 0 CBADLP Cn1cc[nH+]c1CN1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000424180204 354215515 /nfs/dbraw/zinc/21/55/15/354215515.db2.gz NGLFYZRERDVDJF-MNOVXSKESA-N 2 2 263.345 -0.589 20 0 CBADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000424174528 354215801 /nfs/dbraw/zinc/21/58/01/354215801.db2.gz MMCQVIVTHPEWIK-RTXFEEFZSA-N 2 2 283.372 -0.657 20 0 CBADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000424174528 354215804 /nfs/dbraw/zinc/21/58/04/354215804.db2.gz MMCQVIVTHPEWIK-RTXFEEFZSA-N 2 2 283.372 -0.657 20 0 CBADLP C[C@H]1C[C@@H](O)CC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000429143207 354247831 /nfs/dbraw/zinc/24/78/31/354247831.db2.gz PJRYTZSDFDGLBS-RYUDHWBXSA-N 2 2 255.362 -0.394 20 0 CBADLP C[C@H]1C[C@@H](O)CC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000429143207 354247833 /nfs/dbraw/zinc/24/78/33/354247833.db2.gz PJRYTZSDFDGLBS-RYUDHWBXSA-N 2 2 255.362 -0.394 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCNC(=O)C2(C)C)CC1 ZINC000429666824 354247946 /nfs/dbraw/zinc/24/79/46/354247946.db2.gz HMGFBCMECCTBSC-UHFFFAOYSA-N 2 2 282.388 -0.639 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCNC(=O)C2(C)C)CC1 ZINC000429666824 354247948 /nfs/dbraw/zinc/24/79/48/354247948.db2.gz HMGFBCMECCTBSC-UHFFFAOYSA-N 2 2 282.388 -0.639 20 0 CBADLP C[C@H](CNC(=O)CN1CC[NH2+]CC1=O)[N@@H+]1CCCC[C@@H]1C ZINC000430766229 354250687 /nfs/dbraw/zinc/25/06/87/354250687.db2.gz WNVXYKFZGROOCX-QWHCGFSZSA-N 2 2 296.415 -0.203 20 0 CBADLP C[C@H](CNC(=O)CN1CC[NH2+]CC1=O)[N@H+]1CCCC[C@@H]1C ZINC000430766229 354250690 /nfs/dbraw/zinc/25/06/90/354250690.db2.gz WNVXYKFZGROOCX-QWHCGFSZSA-N 2 2 296.415 -0.203 20 0 CBADLP C[C@@](C[NH3+])([NH2+]CC(=O)NC(=O)NC1CC1)C1CC1 ZINC000430582047 354250861 /nfs/dbraw/zinc/25/08/61/354250861.db2.gz JEZXHUKXRLDLIF-LBPRGKRZSA-N 2 2 254.334 -0.308 20 0 CBADLP CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000433493764 354253364 /nfs/dbraw/zinc/25/33/64/354253364.db2.gz MJVHTCZALZSLKQ-UFBFGSQYSA-N 2 2 256.350 -0.062 20 0 CBADLP CN1CC[N@H+](C)[C@@H](CNC(=O)N[C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000424459781 354224758 /nfs/dbraw/zinc/22/47/58/354224758.db2.gz HDUSYEUYFQCHBQ-YNEHKIRRSA-N 2 2 283.420 -0.199 20 0 CBADLP CN1CC[N@@H+](C)[C@@H](CNC(=O)N[C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000424459781 354224759 /nfs/dbraw/zinc/22/47/59/354224759.db2.gz HDUSYEUYFQCHBQ-YNEHKIRRSA-N 2 2 283.420 -0.199 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000446366211 354286946 /nfs/dbraw/zinc/28/69/46/354286946.db2.gz GYZMSGRWSWIVKW-GARJFASQSA-N 2 2 259.325 -0.477 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000446366211 354286948 /nfs/dbraw/zinc/28/69/48/354286948.db2.gz GYZMSGRWSWIVKW-GARJFASQSA-N 2 2 259.325 -0.477 20 0 CBADLP CO[C@H](C[NH3+])CC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000447440066 354298522 /nfs/dbraw/zinc/29/85/22/354298522.db2.gz LXAPATYWCGOKLD-MNOVXSKESA-N 2 2 259.350 -0.813 20 0 CBADLP CO[C@H](C[NH3+])CC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000447440066 354298524 /nfs/dbraw/zinc/29/85/24/354298524.db2.gz LXAPATYWCGOKLD-MNOVXSKESA-N 2 2 259.350 -0.813 20 0 CBADLP CC1(C)C[N@H+](C[C@H](O)C[NH+]2C[C@@H](O)C(C)(C)C2)C[C@@H]1O ZINC000447794340 354305041 /nfs/dbraw/zinc/30/50/41/354305041.db2.gz HZBFJUFJIIDMRH-XYYAHUGASA-N 2 2 286.416 -0.247 20 0 CBADLP CC1(C)C[N@@H+](C[C@H](O)C[NH+]2C[C@@H](O)C(C)(C)C2)C[C@@H]1O ZINC000447794340 354305042 /nfs/dbraw/zinc/30/50/42/354305042.db2.gz HZBFJUFJIIDMRH-XYYAHUGASA-N 2 2 286.416 -0.247 20 0 CBADLP CC1(C)C[NH+](C[C@H](O)C[N@@H+]2C[C@@H](O)C(C)(C)C2)C[C@@H]1O ZINC000447794340 354305043 /nfs/dbraw/zinc/30/50/43/354305043.db2.gz HZBFJUFJIIDMRH-XYYAHUGASA-N 2 2 286.416 -0.247 20 0 CBADLP CC1(C)C[NH+](C[C@H](O)C[N@H+]2C[C@@H](O)C(C)(C)C2)C[C@@H]1O ZINC000447794340 354305044 /nfs/dbraw/zinc/30/50/44/354305044.db2.gz HZBFJUFJIIDMRH-XYYAHUGASA-N 2 2 286.416 -0.247 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@@H](CO)[C@H]2CCCO2)CC1 ZINC000447908493 354307579 /nfs/dbraw/zinc/30/75/79/354307579.db2.gz BNYGRRRXWWBZQS-MELADBBJSA-N 2 2 299.415 -0.332 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1C[C@]12CC[NH2+]C2)[NH+]1CCN(C)CC1 ZINC000444270365 354267381 /nfs/dbraw/zinc/26/73/81/354267381.db2.gz OZUMXCAYWCAFFB-IPYPFGDCSA-N 2 2 280.416 -0.262 20 0 CBADLP CCC[N@H+](C)CC(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000444380441 354271653 /nfs/dbraw/zinc/27/16/53/354271653.db2.gz DPNAFKVHHSYNHI-GFCCVEGCSA-N 2 2 257.378 -0.147 20 0 CBADLP CCC[N@@H+](C)CC(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000444380441 354271656 /nfs/dbraw/zinc/27/16/56/354271656.db2.gz DPNAFKVHHSYNHI-GFCCVEGCSA-N 2 2 257.378 -0.147 20 0 CBADLP C[C@@H]1C[NH2+]C[C@H]1C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000449344649 354319790 /nfs/dbraw/zinc/31/97/90/354319790.db2.gz DBHOGMYJVVFBGG-GRYCIOLGSA-N 2 2 255.362 -0.321 20 0 CBADLP C[C@@H]1C[NH2+]C[C@H]1C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000449344649 354319792 /nfs/dbraw/zinc/31/97/92/354319792.db2.gz DBHOGMYJVVFBGG-GRYCIOLGSA-N 2 2 255.362 -0.321 20 0 CBADLP CC[C@H](CNS(C)(=O)=O)[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000449441801 354320120 /nfs/dbraw/zinc/32/01/20/354320120.db2.gz ISBCOZFSQUPMRC-AXFHLTTASA-N 2 2 263.407 -0.146 20 0 CBADLP CC[C@H](CNS(C)(=O)=O)[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000449441801 354320123 /nfs/dbraw/zinc/32/01/23/354320123.db2.gz ISBCOZFSQUPMRC-AXFHLTTASA-N 2 2 263.407 -0.146 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[NH2+]C[C@](C)(F)C2)C1 ZINC000449575726 354321051 /nfs/dbraw/zinc/32/10/51/354321051.db2.gz NXYCNAHGGUNDQF-AAEUAGOBSA-N 2 2 273.352 -0.133 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[NH2+]C[C@](C)(F)C2)C1 ZINC000449575726 354321053 /nfs/dbraw/zinc/32/10/53/354321053.db2.gz NXYCNAHGGUNDQF-AAEUAGOBSA-N 2 2 273.352 -0.133 20 0 CBADLP CC(=O)[C@@](C)(O)C[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000450349193 354324834 /nfs/dbraw/zinc/32/48/34/354324834.db2.gz NODGITAPWGRURV-HNNXBMFYSA-N 2 2 297.399 -0.434 20 0 CBADLP CCN(C)C(=O)[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)C(C)C ZINC000451317650 354335434 /nfs/dbraw/zinc/33/54/34/354335434.db2.gz VOBUTBPGCSBEJC-AWEZNQCLSA-N 2 2 298.431 -0.147 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)NC2C[NH+](C(C)C)C2)C1 ZINC000457728525 354373024 /nfs/dbraw/zinc/37/30/24/354373024.db2.gz VEWJIJYGFBVMMV-LBPRGKRZSA-N 2 2 255.362 -0.084 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)NC2C[NH+](C(C)C)C2)C1 ZINC000457728525 354373028 /nfs/dbraw/zinc/37/30/28/354373028.db2.gz VEWJIJYGFBVMMV-LBPRGKRZSA-N 2 2 255.362 -0.084 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@@](O)(CO)C2)CC1 ZINC000459646558 354384754 /nfs/dbraw/zinc/38/47/54/354384754.db2.gz IWRBDXWPNOEDAX-HIFRSBDPSA-N 2 2 299.415 -0.642 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@@](O)(CO)C2)CC1 ZINC000459646558 354384759 /nfs/dbraw/zinc/38/47/59/354384759.db2.gz IWRBDXWPNOEDAX-HIFRSBDPSA-N 2 2 299.415 -0.642 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@](O)(CO)C2)CC1 ZINC000459646560 354385317 /nfs/dbraw/zinc/38/53/17/354385317.db2.gz IWRBDXWPNOEDAX-UKRRQHHQSA-N 2 2 299.415 -0.642 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@](O)(CO)C2)CC1 ZINC000459646560 354385320 /nfs/dbraw/zinc/38/53/20/354385320.db2.gz IWRBDXWPNOEDAX-UKRRQHHQSA-N 2 2 299.415 -0.642 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@H]2C[NH+](C)CCO2)C[C@H](C)[N@H+]1CCO ZINC000456207899 354362924 /nfs/dbraw/zinc/36/29/24/354362924.db2.gz HPLQWYZZZWIKTB-XQQFMLRXSA-N 2 2 285.388 -0.770 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@H]2C[NH+](C)CCO2)C[C@H](C)[N@@H+]1CCO ZINC000456207899 354362927 /nfs/dbraw/zinc/36/29/27/354362927.db2.gz HPLQWYZZZWIKTB-XQQFMLRXSA-N 2 2 285.388 -0.770 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H](C)[NH+]1CCO ZINC000456207899 354362929 /nfs/dbraw/zinc/36/29/29/354362929.db2.gz HPLQWYZZZWIKTB-XQQFMLRXSA-N 2 2 285.388 -0.770 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H](C)[NH+]1CCO ZINC000456207899 354362933 /nfs/dbraw/zinc/36/29/33/354362933.db2.gz HPLQWYZZZWIKTB-XQQFMLRXSA-N 2 2 285.388 -0.770 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)C1 ZINC000330947834 283020192 /nfs/dbraw/zinc/02/01/92/283020192.db2.gz HWIPPFQZSLSHLW-RYUDHWBXSA-N 2 2 298.387 -0.177 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)C1 ZINC000330947834 283020197 /nfs/dbraw/zinc/02/01/97/283020197.db2.gz HWIPPFQZSLSHLW-RYUDHWBXSA-N 2 2 298.387 -0.177 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC000330947834 283020202 /nfs/dbraw/zinc/02/02/02/283020202.db2.gz HWIPPFQZSLSHLW-RYUDHWBXSA-N 2 2 298.387 -0.177 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)C1 ZINC000330947834 283020206 /nfs/dbraw/zinc/02/02/06/283020206.db2.gz HWIPPFQZSLSHLW-RYUDHWBXSA-N 2 2 298.387 -0.177 20 0 CBADLP CCC[N@H+](C)CC(=O)N1CC[NH+](CCO)C[C@H]1C ZINC000457114056 354369065 /nfs/dbraw/zinc/36/90/65/354369065.db2.gz GZRCYSGFZXILNW-GFCCVEGCSA-N 2 2 257.378 -0.147 20 0 CBADLP CCC[N@@H+](C)CC(=O)N1CC[NH+](CCO)C[C@H]1C ZINC000457114056 354369070 /nfs/dbraw/zinc/36/90/70/354369070.db2.gz GZRCYSGFZXILNW-GFCCVEGCSA-N 2 2 257.378 -0.147 20 0 CBADLP CCC[NH+](C)CC(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC000457114056 354369071 /nfs/dbraw/zinc/36/90/71/354369071.db2.gz GZRCYSGFZXILNW-GFCCVEGCSA-N 2 2 257.378 -0.147 20 0 CBADLP CCC[NH+](C)CC(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC000457114056 354369075 /nfs/dbraw/zinc/36/90/75/354369075.db2.gz GZRCYSGFZXILNW-GFCCVEGCSA-N 2 2 257.378 -0.147 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)NCC[NH+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000333967457 283021051 /nfs/dbraw/zinc/02/10/51/283021051.db2.gz SAPICWITNBQBEK-XQQFMLRXSA-N 2 2 283.372 -0.704 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)NCC[NH+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000333967457 283021055 /nfs/dbraw/zinc/02/10/55/283021055.db2.gz SAPICWITNBQBEK-XQQFMLRXSA-N 2 2 283.372 -0.704 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000333967457 283021059 /nfs/dbraw/zinc/02/10/59/283021059.db2.gz SAPICWITNBQBEK-XQQFMLRXSA-N 2 2 283.372 -0.704 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000333967457 283021063 /nfs/dbraw/zinc/02/10/63/283021063.db2.gz SAPICWITNBQBEK-XQQFMLRXSA-N 2 2 283.372 -0.704 20 0 CBADLP C[C@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CC[N@@H+]1CCO ZINC000492891383 354484177 /nfs/dbraw/zinc/48/41/77/354484177.db2.gz CUUQAFRXXYENJE-QUCGXOGASA-N 2 2 264.329 -0.052 20 0 CBADLP C[C@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CC[N@H+]1CCO ZINC000492891383 354484180 /nfs/dbraw/zinc/48/41/80/354484180.db2.gz CUUQAFRXXYENJE-QUCGXOGASA-N 2 2 264.329 -0.052 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)/C=C\C[NH+](C)C ZINC000491869302 354461165 /nfs/dbraw/zinc/46/11/65/354461165.db2.gz NABRCUAAXLRPJD-QMAVJUDZSA-N 2 2 255.362 -0.059 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)/C=C/C[NH+](C)C)CCO1 ZINC000491869348 354461411 /nfs/dbraw/zinc/46/14/11/354461411.db2.gz NHZANNYWTPIJPS-ZYOFXKKJSA-N 2 2 255.362 -0.059 20 0 CBADLP C[N@@H+]1CC[C@](O)(CNC(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492858458 354483020 /nfs/dbraw/zinc/48/30/20/354483020.db2.gz LIOJBOBRHNUVBT-JDGPPOGSSA-N 2 2 250.302 -0.394 20 0 CBADLP C[N@H+]1CC[C@](O)(CNC(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492858458 354483024 /nfs/dbraw/zinc/48/30/24/354483024.db2.gz LIOJBOBRHNUVBT-JDGPPOGSSA-N 2 2 250.302 -0.394 20 0 CBADLP O=C(C=Cc1c[nH]c[nH+]1)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000493174072 354490185 /nfs/dbraw/zinc/49/01/85/354490185.db2.gz WRLVKIXWYOLHSS-DDGIKZQJSA-N 2 2 276.340 -0.004 20 0 CBADLP C[C@H]1C[N@H+](CCO)CCN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493212438 354490596 /nfs/dbraw/zinc/49/05/96/354490596.db2.gz ABKYEAXUCSPYBJ-VUDBWIFFSA-N 2 2 264.329 -0.052 20 0 CBADLP C[C@H]1C[N@@H+](CCO)CCN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493212438 354490602 /nfs/dbraw/zinc/49/06/02/354490602.db2.gz ABKYEAXUCSPYBJ-VUDBWIFFSA-N 2 2 264.329 -0.052 20 0 CBADLP C[NH+](C)[C@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)C[C@@H]1O ZINC000493284115 354492060 /nfs/dbraw/zinc/49/20/60/354492060.db2.gz BBMOWNOPRYWFMV-WZQADMAKSA-N 2 2 250.302 -0.444 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2C[NH+]3CCN2CCC3)CCO1 ZINC000535720755 354602670 /nfs/dbraw/zinc/60/26/70/354602670.db2.gz IJRNTTRNSKLOGM-KGLIPLIRSA-N 2 2 296.415 -0.787 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2C[NH+]3CCN2CCC3)CCO1 ZINC000535720755 354602671 /nfs/dbraw/zinc/60/26/71/354602671.db2.gz IJRNTTRNSKLOGM-KGLIPLIRSA-N 2 2 296.415 -0.787 20 0 CBADLP C[C@@H]1C[NH+](CCNC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CCO1 ZINC000535720755 354602672 /nfs/dbraw/zinc/60/26/72/354602672.db2.gz IJRNTTRNSKLOGM-KGLIPLIRSA-N 2 2 296.415 -0.787 20 0 CBADLP C[C@@H]1C[NH+](CCNC(=O)[C@@H]2C[N@H+]3CCN2CCC3)CCO1 ZINC000535720755 354602673 /nfs/dbraw/zinc/60/26/73/354602673.db2.gz IJRNTTRNSKLOGM-KGLIPLIRSA-N 2 2 296.415 -0.787 20 0 CBADLP C[C@@H]1C[C@@H](C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])CCO1 ZINC000521999034 354570619 /nfs/dbraw/zinc/57/06/19/354570619.db2.gz VPXPXLHFRFTOKV-WOPDTQHZSA-N 2 2 255.362 -0.097 20 0 CBADLP C[C@@H]1C[C@@H](C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])CCO1 ZINC000521999034 354570627 /nfs/dbraw/zinc/57/06/27/354570627.db2.gz VPXPXLHFRFTOKV-WOPDTQHZSA-N 2 2 255.362 -0.097 20 0 CBADLP C[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@@H]1CCNC1=O ZINC000535379774 354601731 /nfs/dbraw/zinc/60/17/31/354601731.db2.gz BCDZGOBUGOZLCL-CYBMUJFWSA-N 2 2 294.399 -0.450 20 0 CBADLP C[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@@H]1CCNC1=O ZINC000535379774 354601734 /nfs/dbraw/zinc/60/17/34/354601734.db2.gz BCDZGOBUGOZLCL-CYBMUJFWSA-N 2 2 294.399 -0.450 20 0 CBADLP CC[C@@H](CO)[NH+]1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC000547606949 354664357 /nfs/dbraw/zinc/66/43/57/354664357.db2.gz GMENPRZXVZROCZ-LBPRGKRZSA-N 2 2 280.372 -0.122 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000544026898 354639900 /nfs/dbraw/zinc/63/99/00/354639900.db2.gz PDIBAJRKAZLZCC-UONOGXRCSA-N 2 2 299.415 -0.208 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000544026898 354639903 /nfs/dbraw/zinc/63/99/03/354639903.db2.gz PDIBAJRKAZLZCC-UONOGXRCSA-N 2 2 299.415 -0.208 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000544026897 354640023 /nfs/dbraw/zinc/64/00/23/354640023.db2.gz PDIBAJRKAZLZCC-KGLIPLIRSA-N 2 2 299.415 -0.208 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000544026897 354640025 /nfs/dbraw/zinc/64/00/25/354640025.db2.gz PDIBAJRKAZLZCC-KGLIPLIRSA-N 2 2 299.415 -0.208 20 0 CBADLP C[N@@H+]1CCN(C(=O)NC[C@H]2CCCO2)[C@H](C[NH3+])C1 ZINC000557078028 354685042 /nfs/dbraw/zinc/68/50/42/354685042.db2.gz HHJIZJADVWNKSL-GHMZBOCLSA-N 2 2 256.350 -0.550 20 0 CBADLP C[N@H+]1CCN(C(=O)NC[C@H]2CCCO2)[C@H](C[NH3+])C1 ZINC000557078028 354685044 /nfs/dbraw/zinc/68/50/44/354685044.db2.gz HHJIZJADVWNKSL-GHMZBOCLSA-N 2 2 256.350 -0.550 20 0 CBADLP C[N@@H+]1CCN(C(=O)NC[C@H]2CCCO2)[C@@H](C[NH3+])C1 ZINC000557078031 354685304 /nfs/dbraw/zinc/68/53/04/354685304.db2.gz HHJIZJADVWNKSL-WDEREUQCSA-N 2 2 256.350 -0.550 20 0 CBADLP C[N@H+]1CCN(C(=O)NC[C@H]2CCCO2)[C@@H](C[NH3+])C1 ZINC000557078031 354685305 /nfs/dbraw/zinc/68/53/05/354685305.db2.gz HHJIZJADVWNKSL-WDEREUQCSA-N 2 2 256.350 -0.550 20 0 CBADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)Cn1cccn1 ZINC000562986339 354690607 /nfs/dbraw/zinc/69/06/07/354690607.db2.gz XGRCSJWVNXMQDR-KGLIPLIRSA-N 2 2 282.388 -0.056 20 0 CBADLP COCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)Cn1cccn1 ZINC000562986339 354690608 /nfs/dbraw/zinc/69/06/08/354690608.db2.gz XGRCSJWVNXMQDR-KGLIPLIRSA-N 2 2 282.388 -0.056 20 0 CBADLP C[C@H](C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C)[NH+]1CC(C)C1 ZINC000565205910 354732353 /nfs/dbraw/zinc/73/23/53/354732353.db2.gz DFPGWMISQGKZOZ-UPJWGTAASA-N 2 2 267.373 -0.132 20 0 CBADLP C[C@H](C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C)[NH+]1CC(C)C1 ZINC000565205910 354732356 /nfs/dbraw/zinc/73/23/56/354732356.db2.gz DFPGWMISQGKZOZ-UPJWGTAASA-N 2 2 267.373 -0.132 20 0 CBADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CCN(S(C)(=O)=O)C1 ZINC000563892203 354706987 /nfs/dbraw/zinc/70/69/87/354706987.db2.gz YOCPCUCVEXOSQA-MXWKQRLJSA-N 2 2 261.391 -0.392 20 0 CBADLP NC(=O)c1c[nH+]ccc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000563925035 354708164 /nfs/dbraw/zinc/70/81/64/354708164.db2.gz WJHUCOUZBOJNHU-SNVBAGLBSA-N 2 2 262.313 -0.299 20 0 CBADLP NC(=O)c1c[nH+]ccc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC000563925035 354708167 /nfs/dbraw/zinc/70/81/67/354708167.db2.gz WJHUCOUZBOJNHU-SNVBAGLBSA-N 2 2 262.313 -0.299 20 0 CBADLP COC(=O)CNC(=O)CC[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000564096255 354711163 /nfs/dbraw/zinc/71/11/63/354711163.db2.gz IKTPRWFYMCRBMD-NWDGAFQWSA-N 2 2 283.372 -0.166 20 0 CBADLP COC(=O)CNC(=O)CC[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000564096255 354711166 /nfs/dbraw/zinc/71/11/66/354711166.db2.gz IKTPRWFYMCRBMD-NWDGAFQWSA-N 2 2 283.372 -0.166 20 0 CBADLP COC(=O)CNC(=O)CC[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000564096255 354711168 /nfs/dbraw/zinc/71/11/68/354711168.db2.gz IKTPRWFYMCRBMD-NWDGAFQWSA-N 2 2 283.372 -0.166 20 0 CBADLP COC(=O)CNC(=O)CC[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000564096255 354711171 /nfs/dbraw/zinc/71/11/71/354711171.db2.gz IKTPRWFYMCRBMD-NWDGAFQWSA-N 2 2 283.372 -0.166 20 0 CBADLP Cc1c[nH+]ccc1NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000564231174 354712198 /nfs/dbraw/zinc/71/21/98/354712198.db2.gz WTFOMPWBNOTXFC-MNOVXSKESA-N 2 2 289.339 -0.412 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000564655590 354715071 /nfs/dbraw/zinc/71/50/71/354715071.db2.gz NTIGXTHYZGQFOL-NSHDSACASA-N 2 2 268.361 -0.933 20 0 CBADLP COCC[N@H+](C)CCNC(=O)[C@@H]([NH3+])c1cscn1 ZINC000564895936 354719479 /nfs/dbraw/zinc/71/94/79/354719479.db2.gz DIHJPLMLKSCVDP-JTQLQIEISA-N 2 2 272.374 -0.163 20 0 CBADLP COCC[N@@H+](C)CCNC(=O)[C@@H]([NH3+])c1cscn1 ZINC000564895936 354719482 /nfs/dbraw/zinc/71/94/82/354719482.db2.gz DIHJPLMLKSCVDP-JTQLQIEISA-N 2 2 272.374 -0.163 20 0 CBADLP C[C@@H](C[NH2+]C[C@@H](O)C[NH+]1CCCC1)S(C)(=O)=O ZINC000564974185 354723748 /nfs/dbraw/zinc/72/37/48/354723748.db2.gz CQBZHGKPORSCTM-WDEREUQCSA-N 2 2 264.391 -0.534 20 0 CBADLP CCCNC(=O)CCC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000564988010 354724987 /nfs/dbraw/zinc/72/49/87/354724987.db2.gz QJISSRJBPOWCPX-LLVKDONJSA-N 2 2 270.377 -0.606 20 0 CBADLP CCCNC(=O)CCC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000564988010 354724988 /nfs/dbraw/zinc/72/49/88/354724988.db2.gz QJISSRJBPOWCPX-LLVKDONJSA-N 2 2 270.377 -0.606 20 0 CBADLP CCC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000565240309 354734252 /nfs/dbraw/zinc/73/42/52/354734252.db2.gz UUZHAKANLNOLGP-ZDEQEGDKSA-N 2 2 296.415 -0.077 20 0 CBADLP CCC[C@H](C)NC(=O)[C@H](C)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000565240309 354734255 /nfs/dbraw/zinc/73/42/55/354734255.db2.gz UUZHAKANLNOLGP-ZDEQEGDKSA-N 2 2 296.415 -0.077 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC[C@H]([NH3+])C[C@@H]1C ZINC000565155092 354728902 /nfs/dbraw/zinc/72/89/02/354728902.db2.gz CWDUCZPYDKAGQJ-RYUDHWBXSA-N 2 2 284.404 -0.219 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CC[C@H]([NH3+])C[C@@H]1C ZINC000565155092 354728904 /nfs/dbraw/zinc/72/89/04/354728904.db2.gz CWDUCZPYDKAGQJ-RYUDHWBXSA-N 2 2 284.404 -0.219 20 0 CBADLP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000565834410 354746572 /nfs/dbraw/zinc/74/65/72/354746572.db2.gz MXIWIRFSSRMWMQ-GWCFXTLKSA-N 2 2 268.361 -0.094 20 0 CBADLP CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000565834410 354746574 /nfs/dbraw/zinc/74/65/74/354746574.db2.gz MXIWIRFSSRMWMQ-GWCFXTLKSA-N 2 2 268.361 -0.094 20 0 CBADLP C[N@H+]1CCN(C(=O)CCc2ccncn2)[C@H](C[NH3+])C1 ZINC000565949160 354748702 /nfs/dbraw/zinc/74/87/02/354748702.db2.gz PQOFADPDEKYUKV-GFCCVEGCSA-N 2 2 263.345 -0.490 20 0 CBADLP C[NH2+][C@@H](C)C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000566019436 354751004 /nfs/dbraw/zinc/75/10/04/354751004.db2.gz IFCOQTCNSVCJBP-JTQLQIEISA-N 2 2 251.334 -0.338 20 0 CBADLP CNC(=O)[C@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+](C)CCOC ZINC000567565692 354791001 /nfs/dbraw/zinc/79/10/01/354791001.db2.gz ZDVNPWVNTYDXJD-QWHCGFSZSA-N 2 2 287.404 -0.474 20 0 CBADLP CNC(=O)[C@H]1CCCC[N@H+]1C[C@@H](O)C[NH+](C)CCOC ZINC000567565692 354791002 /nfs/dbraw/zinc/79/10/02/354791002.db2.gz ZDVNPWVNTYDXJD-QWHCGFSZSA-N 2 2 287.404 -0.474 20 0 CBADLP CNC(=O)[C@H]1CCCC[NH+]1C[C@@H](O)C[N@H+](C)CCOC ZINC000567565692 354791004 /nfs/dbraw/zinc/79/10/04/354791004.db2.gz ZDVNPWVNTYDXJD-QWHCGFSZSA-N 2 2 287.404 -0.474 20 0 CBADLP CNC(=O)[C@H]1CCCC[NH+]1C[C@@H](O)C[N@@H+](C)CCOC ZINC000567565692 354791006 /nfs/dbraw/zinc/79/10/06/354791006.db2.gz ZDVNPWVNTYDXJD-QWHCGFSZSA-N 2 2 287.404 -0.474 20 0 CBADLP CNS(=O)(=O)[C@@H]1CC[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000566414931 354765092 /nfs/dbraw/zinc/76/50/92/354765092.db2.gz UUTJOQSEVNEWGU-GFCCVEGCSA-N 2 2 286.401 -0.024 20 0 CBADLP CNS(=O)(=O)[C@@H]1CC[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000566414931 354765094 /nfs/dbraw/zinc/76/50/94/354765094.db2.gz UUTJOQSEVNEWGU-GFCCVEGCSA-N 2 2 286.401 -0.024 20 0 CBADLP COC(=O)CNC(=O)[C@@H](C)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000566416585 354765482 /nfs/dbraw/zinc/76/54/82/354765482.db2.gz NCGOXJYPOPSNGH-SNVBAGLBSA-N 2 2 295.343 -0.791 20 0 CBADLP CNS(=O)(=O)[C@H]1CC[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000566414935 354765620 /nfs/dbraw/zinc/76/56/20/354765620.db2.gz UUTJOQSEVNEWGU-LBPRGKRZSA-N 2 2 286.401 -0.024 20 0 CBADLP CNS(=O)(=O)[C@H]1CC[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000566414935 354765625 /nfs/dbraw/zinc/76/56/25/354765625.db2.gz UUTJOQSEVNEWGU-LBPRGKRZSA-N 2 2 286.401 -0.024 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000566560079 354771086 /nfs/dbraw/zinc/77/10/86/354771086.db2.gz CIBZUXQGLCSNGE-NEPJUHHUSA-N 2 2 284.404 -0.362 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000566560079 354771089 /nfs/dbraw/zinc/77/10/89/354771089.db2.gz CIBZUXQGLCSNGE-NEPJUHHUSA-N 2 2 284.404 -0.362 20 0 CBADLP C[N@@H+]1CCN(C(=O)N[C@@H](C[NH3+])C2CCCC2)[C@@H](C[NH3+])C1 ZINC000567031381 354779622 /nfs/dbraw/zinc/77/96/22/354779622.db2.gz KDJSPWLUTZKZMY-STQMWFEESA-N 3 2 283.420 -0.212 20 0 CBADLP C[N@H+]1CCN(C(=O)N[C@@H](C[NH3+])C2CCCC2)[C@@H](C[NH3+])C1 ZINC000567031381 354779624 /nfs/dbraw/zinc/77/96/24/354779624.db2.gz KDJSPWLUTZKZMY-STQMWFEESA-N 3 2 283.420 -0.212 20 0 CBADLP CCS(=O)(=O)CCC[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000567043259 354779823 /nfs/dbraw/zinc/77/98/23/354779823.db2.gz NTBPDEWONLWYKM-GFCCVEGCSA-N 2 2 278.418 -0.144 20 0 CBADLP CCS(=O)(=O)CCC[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000567043259 354779824 /nfs/dbraw/zinc/77/98/24/354779824.db2.gz NTBPDEWONLWYKM-GFCCVEGCSA-N 2 2 278.418 -0.144 20 0 CBADLP C[NH2+]C[C@@](C)(O)C[N@H+](C)Cc1cnc(N(C)C)nc1 ZINC000567172552 354782414 /nfs/dbraw/zinc/78/24/14/354782414.db2.gz SGBHWYNWUUSJPX-CYBMUJFWSA-N 2 2 267.377 -0.055 20 0 CBADLP C[NH2+]C[C@@](C)(O)C[N@@H+](C)Cc1cnc(N(C)C)nc1 ZINC000567172552 354782417 /nfs/dbraw/zinc/78/24/17/354782417.db2.gz SGBHWYNWUUSJPX-CYBMUJFWSA-N 2 2 267.377 -0.055 20 0 CBADLP CC[C@H](C)[N@H+](C)CCNC[C@H](O)CN1CC[NH+](C)CC1 ZINC000567262421 354784213 /nfs/dbraw/zinc/78/42/13/354784213.db2.gz OAOXPKWFCHJEGB-GJZGRUSLSA-N 2 2 286.464 -0.085 20 0 CBADLP CC[C@H](C)[N@@H+](C)CCNC[C@H](O)CN1CC[NH+](C)CC1 ZINC000567262421 354784214 /nfs/dbraw/zinc/78/42/14/354784214.db2.gz OAOXPKWFCHJEGB-GJZGRUSLSA-N 2 2 286.464 -0.085 20 0 CBADLP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000567271656 354785116 /nfs/dbraw/zinc/78/51/16/354785116.db2.gz DZDRSRWVCPQGQG-TUVASFSCSA-N 3 2 282.432 -0.363 20 0 CBADLP C[N@@H+]1CCN(C(=O)CCNC(=O)c2ccco2)[C@H](C[NH3+])C1 ZINC000565302066 354735454 /nfs/dbraw/zinc/73/54/54/354735454.db2.gz AOKPTCKWELALFC-LLVKDONJSA-N 2 2 294.355 -0.499 20 0 CBADLP C[N@H+]1CCN(C(=O)CCNC(=O)c2ccco2)[C@H](C[NH3+])C1 ZINC000565302066 354735457 /nfs/dbraw/zinc/73/54/57/354735457.db2.gz AOKPTCKWELALFC-LLVKDONJSA-N 2 2 294.355 -0.499 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000565489189 354739795 /nfs/dbraw/zinc/73/97/95/354739795.db2.gz OXEAQVWZGRMZRB-ZIAGYGMSSA-N 2 2 297.403 -0.280 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000565489189 354739798 /nfs/dbraw/zinc/73/97/98/354739798.db2.gz OXEAQVWZGRMZRB-ZIAGYGMSSA-N 2 2 297.403 -0.280 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000565489189 354739800 /nfs/dbraw/zinc/73/98/00/354739800.db2.gz OXEAQVWZGRMZRB-ZIAGYGMSSA-N 2 2 297.403 -0.280 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000565489189 354739802 /nfs/dbraw/zinc/73/98/02/354739802.db2.gz OXEAQVWZGRMZRB-ZIAGYGMSSA-N 2 2 297.403 -0.280 20 0 CBADLP CC(=O)N1CCN(CC[NH2+]Cc2c[nH+]c(C)n2C)CC1 ZINC000565608903 354742016 /nfs/dbraw/zinc/74/20/16/354742016.db2.gz GFRWRRIRKROKDU-UHFFFAOYSA-N 2 2 279.388 -0.018 20 0 CBADLP CN(CCC[NH+]1CCN(C)CC1)C(=O)C[C@H]1COCC[NH2+]1 ZINC000567812329 354798226 /nfs/dbraw/zinc/79/82/26/354798226.db2.gz RUHNCKCMYUELOQ-AWEZNQCLSA-N 2 2 298.431 -0.539 20 0 CBADLP C[NH2+]C[C@H]1CCC[N@H+](CC(=O)NCCC(=O)OC)C1 ZINC000567893701 354803489 /nfs/dbraw/zinc/80/34/89/354803489.db2.gz MHHHFXHTPUBSOM-LLVKDONJSA-N 2 2 271.361 -0.403 20 0 CBADLP C[NH2+]C[C@H]1CCC[N@@H+](CC(=O)NCCC(=O)OC)C1 ZINC000567893701 354803491 /nfs/dbraw/zinc/80/34/91/354803491.db2.gz MHHHFXHTPUBSOM-LLVKDONJSA-N 2 2 271.361 -0.403 20 0 CBADLP O=C(C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)Nc1ccncc1 ZINC000567990195 354807307 /nfs/dbraw/zinc/80/73/07/354807307.db2.gz GBRIPMMELSMHML-CQSZACIVSA-N 2 2 289.383 -0.579 20 0 CBADLP O=C(C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)Nc1ccncc1 ZINC000567990195 354807308 /nfs/dbraw/zinc/80/73/08/354807308.db2.gz GBRIPMMELSMHML-CQSZACIVSA-N 2 2 289.383 -0.579 20 0 CBADLP C[NH+]1CCN(C(=O)CCN2CC[C@H]3OCC[NH2+][C@H]3C2)CC1 ZINC000568050769 354809375 /nfs/dbraw/zinc/80/93/75/354809375.db2.gz DWWBZEVJKABOAT-UONOGXRCSA-N 2 2 296.415 -0.787 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@H]3OCCN[C@H]3C2)CC1 ZINC000568050769 354809378 /nfs/dbraw/zinc/80/93/78/354809378.db2.gz DWWBZEVJKABOAT-UONOGXRCSA-N 2 2 296.415 -0.787 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@H]3OCCN[C@H]3C2)CC1 ZINC000568050769 354809381 /nfs/dbraw/zinc/80/93/81/354809381.db2.gz DWWBZEVJKABOAT-UONOGXRCSA-N 2 2 296.415 -0.787 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1CS(N)(=O)=O ZINC000568163936 354812045 /nfs/dbraw/zinc/81/20/45/354812045.db2.gz FBINRHAHPHSNDQ-WDEREUQCSA-N 2 2 279.406 -0.948 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1CS(N)(=O)=O ZINC000568163936 354812047 /nfs/dbraw/zinc/81/20/47/354812047.db2.gz FBINRHAHPHSNDQ-WDEREUQCSA-N 2 2 279.406 -0.948 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000568163936 354812050 /nfs/dbraw/zinc/81/20/50/354812050.db2.gz FBINRHAHPHSNDQ-WDEREUQCSA-N 2 2 279.406 -0.948 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000568163936 354812052 /nfs/dbraw/zinc/81/20/52/354812052.db2.gz FBINRHAHPHSNDQ-WDEREUQCSA-N 2 2 279.406 -0.948 20 0 CBADLP C[NH+](C)CC1CCC(NC(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000568390267 354822823 /nfs/dbraw/zinc/82/28/23/354822823.db2.gz CQJUDBWKEHZCOO-UHFFFAOYSA-N 2 2 296.415 -0.345 20 0 CBADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)C[NH3+])CC1 ZINC000568629418 354828502 /nfs/dbraw/zinc/82/85/02/354828502.db2.gz FFHGZGKYQNEDOF-LLVKDONJSA-N 2 2 270.377 -0.748 20 0 CBADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C)C[NH3+])CC1 ZINC000568629418 354828505 /nfs/dbraw/zinc/82/85/05/354828505.db2.gz FFHGZGKYQNEDOF-LLVKDONJSA-N 2 2 270.377 -0.748 20 0 CBADLP C[C@@H](CCCC[NH3+])NC(=O)CN1CC[NH2+]CC1=O ZINC000568882072 354834243 /nfs/dbraw/zinc/83/42/43/354834243.db2.gz QXNUSHNNFLIMJW-JTQLQIEISA-N 2 2 256.350 -0.948 20 0 CBADLP COCC[NH2+]CC(=O)N(C)CC[NH+]1CCOCC1 ZINC000567765461 354796481 /nfs/dbraw/zinc/79/64/81/354796481.db2.gz WOIKURKQCZSQJY-UHFFFAOYSA-N 2 2 259.350 -0.987 20 0 CBADLP CC1(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C[NH2+]C1 ZINC000570679461 354866637 /nfs/dbraw/zinc/86/66/37/354866637.db2.gz XGRGLYFTVUZJMJ-UHFFFAOYSA-N 2 2 293.371 -0.237 20 0 CBADLP C[C@H](C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)[NH+]1CCN(C)CC1 ZINC000571683547 354877683 /nfs/dbraw/zinc/87/76/83/354877683.db2.gz SUUSAPSZEUDOLB-RDBSUJKOSA-N 2 2 280.416 -0.167 20 0 CBADLP Cc1cc(CC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])[nH]n1 ZINC000571682676 354878120 /nfs/dbraw/zinc/87/81/20/354878120.db2.gz UCOSMPNUJVJCMO-NSHDSACASA-N 2 2 251.334 -0.638 20 0 CBADLP Cc1cc(CC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])[nH]n1 ZINC000571682676 354878124 /nfs/dbraw/zinc/87/81/24/354878124.db2.gz UCOSMPNUJVJCMO-NSHDSACASA-N 2 2 251.334 -0.638 20 0 CBADLP C[C@@H]1C[C@@H]([NH2+]CCC(=O)NC(N)=O)C[N@@H+]1C1CC1 ZINC000569332598 354843065 /nfs/dbraw/zinc/84/30/65/354843065.db2.gz YJRWIPGGGHSWMI-RKDXNWHRSA-N 2 2 254.334 -0.214 20 0 CBADLP C[C@@H]1C[C@@H]([NH2+]CCC(=O)NC(N)=O)C[N@H+]1C1CC1 ZINC000569332598 354843068 /nfs/dbraw/zinc/84/30/68/354843068.db2.gz YJRWIPGGGHSWMI-RKDXNWHRSA-N 2 2 254.334 -0.214 20 0 CBADLP CCS(=O)(=O)NCCC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000569971706 354851962 /nfs/dbraw/zinc/85/19/62/354851962.db2.gz DEDOFTMSPKDXFJ-NWDGAFQWSA-N 2 2 275.418 0.000 20 0 CBADLP CCS(=O)(=O)NCCC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000569971706 354851964 /nfs/dbraw/zinc/85/19/64/354851964.db2.gz DEDOFTMSPKDXFJ-NWDGAFQWSA-N 2 2 275.418 0.000 20 0 CBADLP C[C@@H]1C[C@@H](NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])CO1 ZINC000570088617 354853798 /nfs/dbraw/zinc/85/37/98/354853798.db2.gz HYPOFRQDRBXGAY-MXWKQRLJSA-N 2 2 256.350 -0.552 20 0 CBADLP C[C@@H]1C[C@@H](NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])CO1 ZINC000570088617 354853799 /nfs/dbraw/zinc/85/37/99/354853799.db2.gz HYPOFRQDRBXGAY-MXWKQRLJSA-N 2 2 256.350 -0.552 20 0 CBADLP Cn1c[nH+]cc1CCC[N@@H+]1CCO[C@@H](C(N)=O)C1 ZINC000570173599 354855958 /nfs/dbraw/zinc/85/59/58/354855958.db2.gz KPEYCGGGGBXCRG-LLVKDONJSA-N 2 2 252.318 -0.461 20 0 CBADLP Cn1c[nH+]cc1CCC[N@H+]1CCO[C@@H](C(N)=O)C1 ZINC000570173599 354855962 /nfs/dbraw/zinc/85/59/62/354855962.db2.gz KPEYCGGGGBXCRG-LLVKDONJSA-N 2 2 252.318 -0.461 20 0 CBADLP C[C@H]1CS(=O)(=O)C[C@H]1[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000570202352 354856577 /nfs/dbraw/zinc/85/65/77/354856577.db2.gz GTLAGKMJBMPKGU-MVWJERBFSA-N 2 2 276.402 -0.536 20 0 CBADLP C[C@H]1CS(=O)(=O)C[C@H]1[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000570202352 354856583 /nfs/dbraw/zinc/85/65/83/354856583.db2.gz GTLAGKMJBMPKGU-MVWJERBFSA-N 2 2 276.402 -0.536 20 0 CBADLP C[C@@H](C(=O)NCCC[NH2+]C1CC1)[NH+]1CCN(C)CC1 ZINC000570399997 354861233 /nfs/dbraw/zinc/86/12/33/354861233.db2.gz XYHGVVSAJNGKTJ-LBPRGKRZSA-N 2 2 268.405 -0.119 20 0 CBADLP C[C@H](C(=O)NC[C@@](C)(O)C[NH+]1CCOCC1)[NH+]1CC(C)C1 ZINC000570581034 354864904 /nfs/dbraw/zinc/86/49/04/354864904.db2.gz BVKLHPPMGOSLOD-UKRRQHHQSA-N 2 2 299.415 -0.474 20 0 CBADLP C[N@@H+]1CCN(C(=O)CC[C@@H]2CC[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000570568702 354865103 /nfs/dbraw/zinc/86/51/03/354865103.db2.gz DWTTZWXEWQXIGO-NEPJUHHUSA-N 3 2 254.378 -0.523 20 0 CBADLP C[N@H+]1CCN(C(=O)CC[C@@H]2CC[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000570568702 354865107 /nfs/dbraw/zinc/86/51/07/354865107.db2.gz DWTTZWXEWQXIGO-NEPJUHHUSA-N 3 2 254.378 -0.523 20 0 CBADLP COC(=O)C[C@H]([NH3+])C(=O)NCCNc1cccc[nH+]1 ZINC000573603466 354916839 /nfs/dbraw/zinc/91/68/39/354916839.db2.gz ALKRKUKSSHBXFG-VIFPVBQESA-N 2 2 266.301 -0.500 20 0 CBADLP C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](C)C[C@@H]1C[NH3+] ZINC000572134353 354887114 /nfs/dbraw/zinc/88/71/14/354887114.db2.gz HCCZGQYZFGFYDZ-NEPJUHHUSA-N 3 2 269.393 -0.635 20 0 CBADLP C[N@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](C)C[C@@H]1C[NH3+] ZINC000572134353 354887117 /nfs/dbraw/zinc/88/71/17/354887117.db2.gz HCCZGQYZFGFYDZ-NEPJUHHUSA-N 3 2 269.393 -0.635 20 0 CBADLP C[NH+]1CCC[C@@H]1CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000572134353 354887119 /nfs/dbraw/zinc/88/71/19/354887119.db2.gz HCCZGQYZFGFYDZ-NEPJUHHUSA-N 3 2 269.393 -0.635 20 0 CBADLP C[NH+]1CCC[C@@H]1CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000572134353 354887121 /nfs/dbraw/zinc/88/71/21/354887121.db2.gz HCCZGQYZFGFYDZ-NEPJUHHUSA-N 3 2 269.393 -0.635 20 0 CBADLP CN(C)C(=O)CCC[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000572131785 354887160 /nfs/dbraw/zinc/88/71/60/354887160.db2.gz NSMGRXIJPMYMDF-UHFFFAOYSA-N 2 2 284.404 -0.439 20 0 CBADLP C[N@H+](C[C@H](O)C[NH+]1CC[C@@H](CO)[C@@H](O)C1)C1CC1 ZINC000572207565 354888099 /nfs/dbraw/zinc/88/80/99/354888099.db2.gz BWIVCHCTOZYLJQ-DRZSPHRISA-N 2 2 258.362 -0.883 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH+]1CC[C@@H](CO)[C@@H](O)C1)C1CC1 ZINC000572207565 354888101 /nfs/dbraw/zinc/88/81/01/354888101.db2.gz BWIVCHCTOZYLJQ-DRZSPHRISA-N 2 2 258.362 -0.883 20 0 CBADLP C[NH+](C[C@H](O)C[N@@H+]1CC[C@@H](CO)[C@@H](O)C1)C1CC1 ZINC000572207565 354888103 /nfs/dbraw/zinc/88/81/03/354888103.db2.gz BWIVCHCTOZYLJQ-DRZSPHRISA-N 2 2 258.362 -0.883 20 0 CBADLP C[NH+](C[C@H](O)C[N@H+]1CC[C@@H](CO)[C@@H](O)C1)C1CC1 ZINC000572207565 354888105 /nfs/dbraw/zinc/88/81/05/354888105.db2.gz BWIVCHCTOZYLJQ-DRZSPHRISA-N 2 2 258.362 -0.883 20 0 CBADLP COC(=O)CCNC(=O)C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000572159384 354888319 /nfs/dbraw/zinc/88/83/19/354888319.db2.gz JUWVYTIZJUDBOF-ZDUSSCGKSA-N 2 2 269.345 -0.649 20 0 CBADLP COC(=O)CCNC(=O)C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000572159384 354888322 /nfs/dbraw/zinc/88/83/22/354888322.db2.gz JUWVYTIZJUDBOF-ZDUSSCGKSA-N 2 2 269.345 -0.649 20 0 CBADLP CCC[N@H+](CC)CCNC[C@@H](O)CN1CC[NH+](C)CC1 ZINC000572235683 354889100 /nfs/dbraw/zinc/88/91/00/354889100.db2.gz FRMNGEGDKOKCJO-OAHLLOKOSA-N 2 2 286.464 -0.084 20 0 CBADLP CCC[N@@H+](CC)CCNC[C@@H](O)CN1CC[NH+](C)CC1 ZINC000572235683 354889103 /nfs/dbraw/zinc/88/91/03/354889103.db2.gz FRMNGEGDKOKCJO-OAHLLOKOSA-N 2 2 286.464 -0.084 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NC[C@@H]([NH3+])C(C)C ZINC000572481210 354892149 /nfs/dbraw/zinc/89/21/49/354892149.db2.gz XUEMWXWXCJZXIW-LLVKDONJSA-N 2 2 272.393 -0.458 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NC[C@@H]([NH3+])C(C)C ZINC000572481210 354892151 /nfs/dbraw/zinc/89/21/51/354892151.db2.gz XUEMWXWXCJZXIW-LLVKDONJSA-N 2 2 272.393 -0.458 20 0 CBADLP CCNC(=O)CCCC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000572480949 354892231 /nfs/dbraw/zinc/89/22/31/354892231.db2.gz GENGVQITYXIEDR-NSHDSACASA-N 2 2 270.377 -0.606 20 0 CBADLP CCNC(=O)CCCC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000572480949 354892232 /nfs/dbraw/zinc/89/22/32/354892232.db2.gz GENGVQITYXIEDR-NSHDSACASA-N 2 2 270.377 -0.606 20 0 CBADLP C[NH2+]C[C@H]1CCC[N@@H+]1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000572721825 354895915 /nfs/dbraw/zinc/89/59/15/354895915.db2.gz GSQIQPDQAWSFBC-CHWSQXEVSA-N 3 2 268.405 -0.133 20 0 CBADLP C[NH2+]C[C@H]1CCC[N@H+]1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000572721825 354895919 /nfs/dbraw/zinc/89/59/19/354895919.db2.gz GSQIQPDQAWSFBC-CHWSQXEVSA-N 3 2 268.405 -0.133 20 0 CBADLP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000572721826 354896242 /nfs/dbraw/zinc/89/62/42/354896242.db2.gz GSQIQPDQAWSFBC-OLZOCXBDSA-N 3 2 268.405 -0.133 20 0 CBADLP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000572721826 354896243 /nfs/dbraw/zinc/89/62/43/354896243.db2.gz GSQIQPDQAWSFBC-OLZOCXBDSA-N 3 2 268.405 -0.133 20 0 CBADLP CN(C)c1ncc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)s1 ZINC000572781215 354897643 /nfs/dbraw/zinc/89/76/43/354897643.db2.gz FWILYOVWELCANV-MWLCHTKSSA-N 2 2 295.412 -0.047 20 0 CBADLP CN(C)c1ncc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)s1 ZINC000572781215 354897649 /nfs/dbraw/zinc/89/76/49/354897649.db2.gz FWILYOVWELCANV-MWLCHTKSSA-N 2 2 295.412 -0.047 20 0 CBADLP CC(C)[NH2+]C1(CO)CC[NH+]([C@H]2COC[C@H]2O)CC1 ZINC000572972127 354901908 /nfs/dbraw/zinc/90/19/08/354901908.db2.gz PBXVWRPECMQXJB-NWDGAFQWSA-N 2 2 258.362 -0.429 20 0 CBADLP CCn1nccc1C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000573626127 354917568 /nfs/dbraw/zinc/91/75/68/354917568.db2.gz WVYFRMIIKWVSEQ-RYUDHWBXSA-N 2 2 263.345 -0.353 20 0 CBADLP CCn1nccc1C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000573626127 354917571 /nfs/dbraw/zinc/91/75/71/354917571.db2.gz WVYFRMIIKWVSEQ-RYUDHWBXSA-N 2 2 263.345 -0.353 20 0 CBADLP CCn1nccc1C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000573626129 354917819 /nfs/dbraw/zinc/91/78/19/354917819.db2.gz WVYFRMIIKWVSEQ-VXGBXAGGSA-N 2 2 263.345 -0.353 20 0 CBADLP CCn1nccc1C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000573626129 354917823 /nfs/dbraw/zinc/91/78/23/354917823.db2.gz WVYFRMIIKWVSEQ-VXGBXAGGSA-N 2 2 263.345 -0.353 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000573248023 354909338 /nfs/dbraw/zinc/90/93/38/354909338.db2.gz ZHQZTRTXABAJEQ-UWVGGRQHSA-N 2 2 258.366 -0.705 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000573248023 354909339 /nfs/dbraw/zinc/90/93/39/354909339.db2.gz ZHQZTRTXABAJEQ-UWVGGRQHSA-N 2 2 258.366 -0.705 20 0 CBADLP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000573576025 354916060 /nfs/dbraw/zinc/91/60/60/354916060.db2.gz KFINDTXQWWZUPL-NSHDSACASA-N 2 2 286.401 -0.024 20 0 CBADLP Cn1c[nH+]cc1CCC[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000573576025 354916062 /nfs/dbraw/zinc/91/60/62/354916062.db2.gz KFINDTXQWWZUPL-NSHDSACASA-N 2 2 286.401 -0.024 20 0 CBADLP CCCCNC(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000571821163 354881281 /nfs/dbraw/zinc/88/12/81/354881281.db2.gz KDMDQUBJXBHLSD-WDEREUQCSA-N 2 2 268.361 -0.854 20 0 CBADLP C[N@@H+]1CCN(C(=O)CN2CCCCCCC2=O)[C@H](C[NH3+])C1 ZINC000573605084 354916722 /nfs/dbraw/zinc/91/67/22/354916722.db2.gz JPFGNUPYGCOWOE-CYBMUJFWSA-N 2 2 296.415 -0.120 20 0 CBADLP C[N@H+]1CCN(C(=O)CN2CCCCCCC2=O)[C@H](C[NH3+])C1 ZINC000573605084 354916726 /nfs/dbraw/zinc/91/67/26/354916726.db2.gz JPFGNUPYGCOWOE-CYBMUJFWSA-N 2 2 296.415 -0.120 20 0 CBADLP COCC[NH2+]CC(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000579003711 354960155 /nfs/dbraw/zinc/96/01/55/354960155.db2.gz NQPRDHNLPCCYEH-UHFFFAOYSA-N 2 2 295.387 -0.700 20 0 CBADLP CO[C@@H]1CC[C@@H](NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])C1 ZINC000574023977 354925928 /nfs/dbraw/zinc/92/59/28/354925928.db2.gz GYMMKMCEOMKMIW-GRYCIOLGSA-N 2 2 270.377 -0.162 20 0 CBADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCSC2)[C@@H](C[NH3+])C1 ZINC000574059533 354926953 /nfs/dbraw/zinc/92/69/53/354926953.db2.gz HRDGDJGJFIEQHB-ZJUUUORDSA-N 2 2 258.391 -0.224 20 0 CBADLP CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000574099084 354928355 /nfs/dbraw/zinc/92/83/55/354928355.db2.gz GQAJJGZEVMBQKA-SRVKXCTJSA-N 2 2 296.415 -0.077 20 0 CBADLP CCC(C)(C)NC(=O)[C@H](C)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000574099084 354928358 /nfs/dbraw/zinc/92/83/58/354928358.db2.gz GQAJJGZEVMBQKA-SRVKXCTJSA-N 2 2 296.415 -0.077 20 0 CBADLP CCC[N@H+](C[C@H](O)C[NH+](C)CC)[C@@H]1CC(=O)N(C)C1=O ZINC000574096678 354928533 /nfs/dbraw/zinc/92/85/33/354928533.db2.gz DWLPJDRBNAMNKN-VXGBXAGGSA-N 2 2 285.388 -0.232 20 0 CBADLP CCC[N@@H+](C[C@H](O)C[NH+](C)CC)[C@@H]1CC(=O)N(C)C1=O ZINC000574096678 354928537 /nfs/dbraw/zinc/92/85/37/354928537.db2.gz DWLPJDRBNAMNKN-VXGBXAGGSA-N 2 2 285.388 -0.232 20 0 CBADLP CCC[NH+](C[C@H](O)C[N@H+](C)CC)[C@@H]1CC(=O)N(C)C1=O ZINC000574096678 354928541 /nfs/dbraw/zinc/92/85/41/354928541.db2.gz DWLPJDRBNAMNKN-VXGBXAGGSA-N 2 2 285.388 -0.232 20 0 CBADLP CCC[NH+](C[C@H](O)C[N@@H+](C)CC)[C@@H]1CC(=O)N(C)C1=O ZINC000574096678 354928544 /nfs/dbraw/zinc/92/85/44/354928544.db2.gz DWLPJDRBNAMNKN-VXGBXAGGSA-N 2 2 285.388 -0.232 20 0 CBADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CCCOCCO)C[C@H](C)O1 ZINC000578237492 354941710 /nfs/dbraw/zinc/94/17/10/354941710.db2.gz OPPSNEPNEYTXTH-HZSPNIEDSA-N 2 2 290.404 -0.555 20 0 CBADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CCCOCCO)C[C@H](C)O1 ZINC000578237492 354941714 /nfs/dbraw/zinc/94/17/14/354941714.db2.gz OPPSNEPNEYTXTH-HZSPNIEDSA-N 2 2 290.404 -0.555 20 0 CBADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)CC[NH2+]C)CC1 ZINC000578238383 354942254 /nfs/dbraw/zinc/94/22/54/354942254.db2.gz ZPGMTICVMUDZFM-UHFFFAOYSA-N 2 2 270.377 -0.734 20 0 CBADLP CCNC(=O)C[N@H+]1CCCN(C(=O)CC[NH2+]C)CC1 ZINC000578238383 354942256 /nfs/dbraw/zinc/94/22/56/354942256.db2.gz ZPGMTICVMUDZFM-UHFFFAOYSA-N 2 2 270.377 -0.734 20 0 CBADLP Cc1cc(CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)cc(C)[nH+]1 ZINC000578339686 354943910 /nfs/dbraw/zinc/94/39/10/354943910.db2.gz MSBZMZFMXSDMCJ-LBPRGKRZSA-N 2 2 276.340 -0.207 20 0 CBADLP C[C@H](NC(=O)[C@]12C[C@H]1CC[NH2+]2)[C@H](C)[NH+]1CCOCC1 ZINC000578363198 354944734 /nfs/dbraw/zinc/94/47/34/354944734.db2.gz IAEFMBJFPGNARA-FMSGJZPZSA-N 2 2 267.373 -0.036 20 0 CBADLP COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CC[NH2+]2)C1 ZINC000578441421 354945858 /nfs/dbraw/zinc/94/58/58/354945858.db2.gz UGTQDYNBTVDHMT-WDEREUQCSA-N 2 2 269.345 -0.651 20 0 CBADLP COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CC[NH2+]2)C1 ZINC000578441421 354945861 /nfs/dbraw/zinc/94/58/61/354945861.db2.gz UGTQDYNBTVDHMT-WDEREUQCSA-N 2 2 269.345 -0.651 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+](CCO)[C@H]1CCO[C@H]1C ZINC000578519319 354947915 /nfs/dbraw/zinc/94/79/15/354947915.db2.gz WMRPYODPNUXUGT-IHRRRGAJSA-N 2 2 290.404 -0.603 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+](CCO)[C@H]1CCO[C@H]1C ZINC000578519319 354947917 /nfs/dbraw/zinc/94/79/17/354947917.db2.gz WMRPYODPNUXUGT-IHRRRGAJSA-N 2 2 290.404 -0.603 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+](CCO)[C@H]1CCO[C@H]1C ZINC000578519319 354947919 /nfs/dbraw/zinc/94/79/19/354947919.db2.gz WMRPYODPNUXUGT-IHRRRGAJSA-N 2 2 290.404 -0.603 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+](CCO)[C@H]1CCO[C@H]1C ZINC000578519319 354947920 /nfs/dbraw/zinc/94/79/20/354947920.db2.gz WMRPYODPNUXUGT-IHRRRGAJSA-N 2 2 290.404 -0.603 20 0 CBADLP CCOC[C@@H](O)C[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000578523145 354948878 /nfs/dbraw/zinc/94/88/78/354948878.db2.gz NXYBEMFUULTXNS-STQMWFEESA-N 2 2 260.378 -0.058 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@H]1CCC[NH2+]C1 ZINC000578747359 354953668 /nfs/dbraw/zinc/95/36/68/354953668.db2.gz VNJDRAOUZWOPPT-NSHDSACASA-N 2 2 270.377 -0.689 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@H]1CCC[NH2+]C1 ZINC000578747359 354953670 /nfs/dbraw/zinc/95/36/70/354953670.db2.gz VNJDRAOUZWOPPT-NSHDSACASA-N 2 2 270.377 -0.689 20 0 CBADLP CO[C@H]1CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)[C@@H](C[NH3+])C1 ZINC000578867979 354956120 /nfs/dbraw/zinc/95/61/20/354956120.db2.gz JWEXCIQSSSISQJ-KGLIPLIRSA-N 3 2 298.431 -0.411 20 0 CBADLP CO[C@H]1CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)[C@@H](C[NH3+])C1 ZINC000578867979 354956123 /nfs/dbraw/zinc/95/61/23/354956123.db2.gz JWEXCIQSSSISQJ-KGLIPLIRSA-N 3 2 298.431 -0.411 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)CC[NH2+]C(C)C)CC1 ZINC000578984013 354959049 /nfs/dbraw/zinc/95/90/49/354959049.db2.gz CADHYEJEZGEZCV-UHFFFAOYSA-N 2 2 284.404 -0.345 20 0 CBADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CCCN(CCOC)C(=O)C1 ZINC000579118101 354962186 /nfs/dbraw/zinc/96/21/86/354962186.db2.gz WIEHWNGVLZXZTN-ZDUSSCGKSA-N 2 2 273.377 -0.863 20 0 CBADLP C[NH2+]C[C@](C)(O)C[N@H+]1CCCN(CCOC)C(=O)C1 ZINC000579118101 354962189 /nfs/dbraw/zinc/96/21/89/354962189.db2.gz WIEHWNGVLZXZTN-ZDUSSCGKSA-N 2 2 273.377 -0.863 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C(=O)N(C)C)C1 ZINC000579255677 354967418 /nfs/dbraw/zinc/96/74/18/354967418.db2.gz NANIKLKLPDXXJO-OLZOCXBDSA-N 2 2 287.404 -0.664 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C(=O)N(C)C)C1 ZINC000579255677 354967420 /nfs/dbraw/zinc/96/74/20/354967420.db2.gz NANIKLKLPDXXJO-OLZOCXBDSA-N 2 2 287.404 -0.664 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](C(=O)N(C)C)C1 ZINC000579255677 354967425 /nfs/dbraw/zinc/96/74/25/354967425.db2.gz NANIKLKLPDXXJO-OLZOCXBDSA-N 2 2 287.404 -0.664 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](C(=O)N(C)C)C1 ZINC000579255677 354967430 /nfs/dbraw/zinc/96/74/30/354967430.db2.gz NANIKLKLPDXXJO-OLZOCXBDSA-N 2 2 287.404 -0.664 20 0 CBADLP C[NH2+][C@H]1CCN(C(=O)[C@H](C)[NH+]2CCN(C)CC2)C1 ZINC000579474795 354971088 /nfs/dbraw/zinc/97/10/88/354971088.db2.gz OCUFXJGLPCQNLE-RYUDHWBXSA-N 2 2 254.378 -0.557 20 0 CBADLP C[NH+](C)[C@@H]1CCCN(C(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000579709162 354976890 /nfs/dbraw/zinc/97/68/90/354976890.db2.gz XLTXFUOECXZLAN-GFCCVEGCSA-N 2 2 282.388 -0.639 20 0 CBADLP C[N@@H+]1CCN(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)[C@@H](C[NH3+])C1 ZINC000580823788 354999337 /nfs/dbraw/zinc/99/93/37/354999337.db2.gz YDJWFWGZSASZPJ-MELADBBJSA-N 3 2 295.431 -0.341 20 0 CBADLP C[N@H+]1CCN(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)[C@@H](C[NH3+])C1 ZINC000580823788 354999338 /nfs/dbraw/zinc/99/93/38/354999338.db2.gz YDJWFWGZSASZPJ-MELADBBJSA-N 3 2 295.431 -0.341 20 0 CBADLP COCC[NH2+]C1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC000584534762 355030752 /nfs/dbraw/zinc/03/07/52/355030752.db2.gz DDHWQWPTSSZSDO-LBPRGKRZSA-N 2 2 255.362 -0.083 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@]2(CNC(=O)C2)C1 ZINC000581020662 355004565 /nfs/dbraw/zinc/00/45/65/355004565.db2.gz ZNHLILOWPCTUJD-OCCSQVGLSA-N 2 2 285.388 -0.863 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@]2(CNC(=O)C2)C1 ZINC000581020662 355004566 /nfs/dbraw/zinc/00/45/66/355004566.db2.gz ZNHLILOWPCTUJD-OCCSQVGLSA-N 2 2 285.388 -0.863 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000581020662 355004569 /nfs/dbraw/zinc/00/45/69/355004569.db2.gz ZNHLILOWPCTUJD-OCCSQVGLSA-N 2 2 285.388 -0.863 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000581020662 355004570 /nfs/dbraw/zinc/00/45/70/355004570.db2.gz ZNHLILOWPCTUJD-OCCSQVGLSA-N 2 2 285.388 -0.863 20 0 CBADLP C[C@@H](NC(=O)CCc1[nH]cc[nH+]1)C(=O)NCC[NH+](C)C ZINC000582072268 355007751 /nfs/dbraw/zinc/00/77/51/355007751.db2.gz RPJBXJGGQSHKLO-SNVBAGLBSA-N 2 2 281.360 -0.475 20 0 CBADLP CNS(=O)(=O)NC1CC[NH+](CC(C)(C)[NH3+])CC1 ZINC000582181334 355009427 /nfs/dbraw/zinc/00/94/27/355009427.db2.gz RMKUYNWZEUBZOC-UHFFFAOYSA-N 2 2 264.395 -0.758 20 0 CBADLP COC(=O)CCNC(=O)C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000582189467 355010224 /nfs/dbraw/zinc/01/02/24/355010224.db2.gz QQSIQPHQFRHSBI-UWVGGRQHSA-N 2 2 257.334 -0.523 20 0 CBADLP COC(=O)CCNC(=O)C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000582189467 355010227 /nfs/dbraw/zinc/01/02/27/355010227.db2.gz QQSIQPHQFRHSBI-UWVGGRQHSA-N 2 2 257.334 -0.523 20 0 CBADLP CN(C)c1nccc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)n1 ZINC000582252722 355012619 /nfs/dbraw/zinc/01/26/19/355012619.db2.gz PPNNTFXCCITUEC-RYUDHWBXSA-N 2 2 290.371 -0.714 20 0 CBADLP CN(C)c1nccc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)n1 ZINC000582252722 355012623 /nfs/dbraw/zinc/01/26/23/355012623.db2.gz PPNNTFXCCITUEC-RYUDHWBXSA-N 2 2 290.371 -0.714 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)C1 ZINC000352799066 283071569 /nfs/dbraw/zinc/07/15/69/283071569.db2.gz VYFSZYYMWFTHCU-AGIUHOORSA-N 2 2 267.373 -0.130 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)C1 ZINC000352799066 283071572 /nfs/dbraw/zinc/07/15/72/283071572.db2.gz VYFSZYYMWFTHCU-AGIUHOORSA-N 2 2 267.373 -0.130 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@H]2CC[NH2+][C@@H]2C)CC1 ZINC000583563315 355020124 /nfs/dbraw/zinc/02/01/24/355020124.db2.gz OVVRYVPZZFHXSN-YPMHNXCESA-N 2 2 282.388 -0.735 20 0 CBADLP C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)[C@H]2C1 ZINC000352799066 283071577 /nfs/dbraw/zinc/07/15/77/283071577.db2.gz VYFSZYYMWFTHCU-AGIUHOORSA-N 2 2 267.373 -0.130 20 0 CBADLP C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)[C@H]2C1 ZINC000352799066 283071581 /nfs/dbraw/zinc/07/15/81/283071581.db2.gz VYFSZYYMWFTHCU-AGIUHOORSA-N 2 2 267.373 -0.130 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000583572569 355020465 /nfs/dbraw/zinc/02/04/65/355020465.db2.gz PEKCRQYJUMBKAN-CHWSQXEVSA-N 2 2 284.404 -0.165 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000583572569 355020469 /nfs/dbraw/zinc/02/04/69/355020469.db2.gz PEKCRQYJUMBKAN-CHWSQXEVSA-N 2 2 284.404 -0.165 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000583572569 355020473 /nfs/dbraw/zinc/02/04/73/355020473.db2.gz PEKCRQYJUMBKAN-CHWSQXEVSA-N 2 2 284.404 -0.165 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000583572569 355020476 /nfs/dbraw/zinc/02/04/76/355020476.db2.gz PEKCRQYJUMBKAN-CHWSQXEVSA-N 2 2 284.404 -0.165 20 0 CBADLP C[NH2+]CCC[NH+]1CCC(N2CCS(=O)(=O)CC2)CC1 ZINC000583631679 355021411 /nfs/dbraw/zinc/02/14/11/355021411.db2.gz YLLFYABHECIMEX-UHFFFAOYSA-N 2 2 289.445 -0.209 20 0 CBADLP COCC[NH+]1CCC([NH2+][C@H]2CCC(=O)N(C)C2=O)CC1 ZINC000583687828 355022176 /nfs/dbraw/zinc/02/21/76/355022176.db2.gz BCLLEDGPUXTDJI-LBPRGKRZSA-N 2 2 283.372 -0.166 20 0 CBADLP CO[C@H]1C[NH2+][C@@H](C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)C1 ZINC000583633721 355022359 /nfs/dbraw/zinc/02/23/59/355022359.db2.gz STKMIHCYTVUZQQ-WUHRBBMRSA-N 2 2 285.388 -0.411 20 0 CBADLP COC(=O)[C@H]1CN(C(=O)C[NH+]2CC(C)(C)C2)CC[N@H+](C)C1 ZINC000583640937 355022660 /nfs/dbraw/zinc/02/26/60/355022660.db2.gz ZHNJQPWWSAUEPN-GFCCVEGCSA-N 2 2 297.399 -0.109 20 0 CBADLP COC(=O)[C@H]1CN(C(=O)C[NH+]2CC(C)(C)C2)CC[N@@H+](C)C1 ZINC000583640937 355022662 /nfs/dbraw/zinc/02/26/62/355022662.db2.gz ZHNJQPWWSAUEPN-GFCCVEGCSA-N 2 2 297.399 -0.109 20 0 CBADLP COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](C)C2C[NH2+]C2)C1 ZINC000583870643 355023132 /nfs/dbraw/zinc/02/31/32/355023132.db2.gz HPXLQULHTNYFOW-RYUDHWBXSA-N 2 2 297.399 -0.157 20 0 CBADLP COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H](C)C2C[NH2+]C2)C1 ZINC000583870643 355023136 /nfs/dbraw/zinc/02/31/36/355023136.db2.gz HPXLQULHTNYFOW-RYUDHWBXSA-N 2 2 297.399 -0.157 20 0 CBADLP COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H](C)C2C[NH2+]C2)C1 ZINC000583870641 355023277 /nfs/dbraw/zinc/02/32/77/355023277.db2.gz HPXLQULHTNYFOW-NEPJUHHUSA-N 2 2 297.399 -0.157 20 0 CBADLP COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@H](C)C2C[NH2+]C2)C1 ZINC000583870641 355023282 /nfs/dbraw/zinc/02/32/82/355023282.db2.gz HPXLQULHTNYFOW-NEPJUHHUSA-N 2 2 297.399 -0.157 20 0 CBADLP Cc1noc(CCC[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)n1 ZINC000583883018 355024037 /nfs/dbraw/zinc/02/40/37/355024037.db2.gz CMTHMFVKZIZXSY-GHMZBOCLSA-N 2 2 279.344 -0.446 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000585718293 355048841 /nfs/dbraw/zinc/04/88/41/355048841.db2.gz BKBJWPOAYDJKRM-VXGBXAGGSA-N 2 2 298.387 -0.244 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000585718293 355048845 /nfs/dbraw/zinc/04/88/45/355048845.db2.gz BKBJWPOAYDJKRM-VXGBXAGGSA-N 2 2 298.387 -0.244 20 0 CBADLP COC(=O)[C@@H](NC(=O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C(C)C ZINC000589252283 355066269 /nfs/dbraw/zinc/06/62/69/355066269.db2.gz WBNNTDXIBAHCCM-LOWVWBTDSA-N 2 2 283.372 -0.549 20 0 CBADLP COC(=O)[C@@H](NC(=O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C(C)C ZINC000589252283 355066274 /nfs/dbraw/zinc/06/62/74/355066274.db2.gz WBNNTDXIBAHCCM-LOWVWBTDSA-N 2 2 283.372 -0.549 20 0 CBADLP COC(=O)CC1CC([NH2+]CC(=O)N2CC[NH+](C)CC2)C1 ZINC000591653259 355105805 /nfs/dbraw/zinc/10/58/05/355105805.db2.gz XEGWKRDRIQKHTM-UHFFFAOYSA-N 2 2 283.372 -0.308 20 0 CBADLP O=C(C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)N1CCNC(=O)C1 ZINC000591866936 355114357 /nfs/dbraw/zinc/11/43/57/355114357.db2.gz KJGCFJCPCMOWCQ-LBPRGKRZSA-N 2 2 291.355 -0.522 20 0 CBADLP O=C(C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)N1CCNC(=O)C1 ZINC000591866936 355114359 /nfs/dbraw/zinc/11/43/59/355114359.db2.gz KJGCFJCPCMOWCQ-LBPRGKRZSA-N 2 2 291.355 -0.522 20 0 CBADLP COC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000590753005 355088347 /nfs/dbraw/zinc/08/83/47/355088347.db2.gz CWJJXEYLXDFSND-NEPJUHHUSA-N 2 2 283.372 -0.308 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CC[NH+](C)CC1 ZINC000591600065 355098742 /nfs/dbraw/zinc/09/87/42/355098742.db2.gz BMTBZZUBTBRPFI-GFCCVEGCSA-N 2 2 270.377 -0.336 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CC[NH+](C)CC1 ZINC000591600065 355098745 /nfs/dbraw/zinc/09/87/45/355098745.db2.gz BMTBZZUBTBRPFI-GFCCVEGCSA-N 2 2 270.377 -0.336 20 0 CBADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC1 ZINC000592562113 355164479 /nfs/dbraw/zinc/16/44/79/355164479.db2.gz NDSIAEOCFUNMPG-LOWDOPEQSA-N 2 2 295.383 -0.167 20 0 CBADLP COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@H](C)C[NH3+])C1 ZINC000592278408 355146628 /nfs/dbraw/zinc/14/66/28/355146628.db2.gz RGZMXLRRISOVKT-GHMZBOCLSA-N 2 2 271.361 -0.418 20 0 CBADLP COC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@H](C)C[NH3+])C1 ZINC000592278408 355146632 /nfs/dbraw/zinc/14/66/32/355146632.db2.gz RGZMXLRRISOVKT-GHMZBOCLSA-N 2 2 271.361 -0.418 20 0 CBADLP COC(=O)C[C@H]([NH3+])C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000592954511 355186523 /nfs/dbraw/zinc/18/65/23/355186523.db2.gz AKTDMZVWVCSKHX-NEPJUHHUSA-N 2 2 299.371 -0.800 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)N2CCC[NH2+]C[C@H]2C(=O)OC)C1 ZINC000592962714 355187582 /nfs/dbraw/zinc/18/75/82/355187582.db2.gz HNBSEFIJQFEQCT-RYUDHWBXSA-N 2 2 299.371 -0.929 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)N2CCC[NH2+]C[C@H]2C(=O)OC)C1 ZINC000592962714 355187585 /nfs/dbraw/zinc/18/75/85/355187585.db2.gz HNBSEFIJQFEQCT-RYUDHWBXSA-N 2 2 299.371 -0.929 20 0 CBADLP CC[C@H](C)[C@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)C(=O)OC ZINC000593903681 355226528 /nfs/dbraw/zinc/22/65/28/355226528.db2.gz JWIOBUVJSIJZRP-AXFHLTTASA-N 2 2 273.377 -0.031 20 0 CBADLP CCOC(=O)CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C1CC1 ZINC000593907159 355227305 /nfs/dbraw/zinc/22/73/05/355227305.db2.gz NHUUCUAERRLUSC-LLVKDONJSA-N 2 2 271.361 -0.181 20 0 CBADLP COC(=O)C(C)(C)CNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000593908798 355228051 /nfs/dbraw/zinc/22/80/51/355228051.db2.gz DUHSMRWSHOFAPX-SECBINFHSA-N 2 2 259.350 -0.419 20 0 CBADLP COC(=O)[C@@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)C1CC1 ZINC000593908592 355228317 /nfs/dbraw/zinc/22/83/17/355228317.db2.gz AXGMUXWOMKWKLN-ZJUUUORDSA-N 2 2 257.334 -0.667 20 0 CBADLP COC(=O)[C@H]1CCCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000593912190 355228720 /nfs/dbraw/zinc/22/87/20/355228720.db2.gz YGZKDSZRLGCOEF-QWRGUYRKSA-N 2 2 271.361 -0.323 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@]1(CC(=O)OC)CCOC1 ZINC000593972664 355232126 /nfs/dbraw/zinc/23/21/26/355232126.db2.gz AGEJHTAYPXEHIC-YPMHNXCESA-N 2 2 274.361 -0.389 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@]1(CC(=O)OC)CCOC1 ZINC000593972664 355232127 /nfs/dbraw/zinc/23/21/27/355232127.db2.gz AGEJHTAYPXEHIC-YPMHNXCESA-N 2 2 274.361 -0.389 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@]1(CC(=O)OC)CCOC1 ZINC000593972661 355232575 /nfs/dbraw/zinc/23/25/75/355232575.db2.gz AGEJHTAYPXEHIC-AAEUAGOBSA-N 2 2 274.361 -0.389 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@]1(CC(=O)OC)CCOC1 ZINC000593972661 355232577 /nfs/dbraw/zinc/23/25/77/355232577.db2.gz AGEJHTAYPXEHIC-AAEUAGOBSA-N 2 2 274.361 -0.389 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](O)C[C@H](C(=O)OC)C1 ZINC000594016427 355234765 /nfs/dbraw/zinc/23/47/65/355234765.db2.gz XAYQODHSWGTIAM-SRVKXCTJSA-N 2 2 274.361 -0.845 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](O)C[C@H](C(=O)OC)C1 ZINC000594016427 355234767 /nfs/dbraw/zinc/23/47/67/355234767.db2.gz XAYQODHSWGTIAM-SRVKXCTJSA-N 2 2 274.361 -0.845 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](O)C[C@H](C(=O)OC)C1 ZINC000594016427 355234771 /nfs/dbraw/zinc/23/47/71/355234771.db2.gz XAYQODHSWGTIAM-SRVKXCTJSA-N 2 2 274.361 -0.845 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](O)C[C@H](C(=O)OC)C1 ZINC000594016427 355234773 /nfs/dbraw/zinc/23/47/73/355234773.db2.gz XAYQODHSWGTIAM-SRVKXCTJSA-N 2 2 274.361 -0.845 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C(=O)OC)C[C@H](O)C1 ZINC000594016430 355235347 /nfs/dbraw/zinc/23/53/47/355235347.db2.gz XAYQODHSWGTIAM-WOPDTQHZSA-N 2 2 274.361 -0.845 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C(=O)OC)C[C@H](O)C1 ZINC000594016430 355235349 /nfs/dbraw/zinc/23/53/49/355235349.db2.gz XAYQODHSWGTIAM-WOPDTQHZSA-N 2 2 274.361 -0.845 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](C(=O)OC)C[C@H](O)C1 ZINC000594016430 355235351 /nfs/dbraw/zinc/23/53/51/355235351.db2.gz XAYQODHSWGTIAM-WOPDTQHZSA-N 2 2 274.361 -0.845 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C(=O)OC)C[C@H](O)C1 ZINC000594016430 355235353 /nfs/dbraw/zinc/23/53/53/355235353.db2.gz XAYQODHSWGTIAM-WOPDTQHZSA-N 2 2 274.361 -0.845 20 0 CBADLP C[NH2+][C@@H](C)C(=O)N1CC[NH+]([C@H](C)CC(=O)OC)CC1 ZINC000594438871 355247665 /nfs/dbraw/zinc/24/76/65/355247665.db2.gz XUHXLCCWPCIMFG-MNOVXSKESA-N 2 2 271.361 -0.310 20 0 CBADLP Cc1cc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)nc(C)n1 ZINC000594876047 355265946 /nfs/dbraw/zinc/26/59/46/355265946.db2.gz AUNSTVCWEUTBIV-QWHCGFSZSA-N 2 2 275.356 -0.163 20 0 CBADLP Cc1cc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)nc(C)n1 ZINC000594876047 355265950 /nfs/dbraw/zinc/26/59/50/355265950.db2.gz AUNSTVCWEUTBIV-QWHCGFSZSA-N 2 2 275.356 -0.163 20 0 CBADLP Cc1cc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)nc(C)n1 ZINC000594876046 355266183 /nfs/dbraw/zinc/26/61/83/355266183.db2.gz AUNSTVCWEUTBIV-OLZOCXBDSA-N 2 2 275.356 -0.163 20 0 CBADLP Cc1cc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)nc(C)n1 ZINC000594876046 355266186 /nfs/dbraw/zinc/26/61/86/355266186.db2.gz AUNSTVCWEUTBIV-OLZOCXBDSA-N 2 2 275.356 -0.163 20 0 CBADLP COC(=O)[C@@H]1C[C@H](O)C[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000595565504 355296175 /nfs/dbraw/zinc/29/61/75/355296175.db2.gz FIPDFLDNJOWHCX-AGIUHOORSA-N 2 2 288.388 -0.457 20 0 CBADLP COC(=O)[C@@H]1C[C@H](O)C[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000595565504 355296179 /nfs/dbraw/zinc/29/61/79/355296179.db2.gz FIPDFLDNJOWHCX-AGIUHOORSA-N 2 2 288.388 -0.457 20 0 CBADLP COC(=O)[C@@H]1C[C@H](O)C[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C1 ZINC000595565504 355296184 /nfs/dbraw/zinc/29/61/84/355296184.db2.gz FIPDFLDNJOWHCX-AGIUHOORSA-N 2 2 288.388 -0.457 20 0 CBADLP COC(=O)[C@@H]1C[C@H](O)C[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000595565504 355296186 /nfs/dbraw/zinc/29/61/86/355296186.db2.gz FIPDFLDNJOWHCX-AGIUHOORSA-N 2 2 288.388 -0.457 20 0 CBADLP COC(=O)[C@H]1C[C@@H]([N@H+](C)CC(=O)N2CC[NH+](C)CC2)C1 ZINC000595850535 355311506 /nfs/dbraw/zinc/31/15/06/355311506.db2.gz HHBDNPVHTPOLFU-TXEJJXNPSA-N 2 2 283.372 -0.356 20 0 CBADLP COC(=O)[C@H]1C[C@@H]([N@@H+](C)CC(=O)N2CC[NH+](C)CC2)C1 ZINC000595850535 355311508 /nfs/dbraw/zinc/31/15/08/355311508.db2.gz HHBDNPVHTPOLFU-TXEJJXNPSA-N 2 2 283.372 -0.356 20 0 CBADLP C[NH2+]C1CC[NH+]([C@@H]2CCN(CCC(=O)OC)C2=O)CC1 ZINC000595892888 355314661 /nfs/dbraw/zinc/31/46/61/355314661.db2.gz OTZNSCNJBHHVJN-GFCCVEGCSA-N 2 2 283.372 -0.166 20 0 CBADLP C[NH2+]C[C@@H]1CC[N@@H+]([C@@H]2CCN(CCC(=O)OC)C2=O)C1 ZINC000595890733 355314761 /nfs/dbraw/zinc/31/47/61/355314761.db2.gz FIOJRDYJGLRSKJ-NWDGAFQWSA-N 2 2 283.372 -0.308 20 0 CBADLP C[NH2+]C[C@@H]1CC[N@H+]([C@@H]2CCN(CCC(=O)OC)C2=O)C1 ZINC000595890733 355314763 /nfs/dbraw/zinc/31/47/63/355314763.db2.gz FIOJRDYJGLRSKJ-NWDGAFQWSA-N 2 2 283.372 -0.308 20 0 CBADLP C[NH2+]C[C@H]1CC[N@@H+]([C@H]2CCN(CCC(=O)OC)C2=O)C1 ZINC000595890732 355314771 /nfs/dbraw/zinc/31/47/71/355314771.db2.gz FIOJRDYJGLRSKJ-NEPJUHHUSA-N 2 2 283.372 -0.308 20 0 CBADLP C[NH2+]C[C@H]1CC[N@H+]([C@H]2CCN(CCC(=O)OC)C2=O)C1 ZINC000595890732 355314773 /nfs/dbraw/zinc/31/47/73/355314773.db2.gz FIOJRDYJGLRSKJ-NEPJUHHUSA-N 2 2 283.372 -0.308 20 0 CBADLP COCC[N@@H+](CC(=O)OC)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000595893155 355315865 /nfs/dbraw/zinc/31/58/65/355315865.db2.gz QLRLPGGUNCIJEC-NSHDSACASA-N 2 2 272.345 -0.371 20 0 CBADLP COCC[N@H+](CC(=O)OC)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000595893155 355315867 /nfs/dbraw/zinc/31/58/67/355315867.db2.gz QLRLPGGUNCIJEC-NSHDSACASA-N 2 2 272.345 -0.371 20 0 CBADLP Cc1nocc1C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000595902678 355316474 /nfs/dbraw/zinc/31/64/74/355316474.db2.gz FFRQYKJWTLXDKP-WDEREUQCSA-N 2 2 250.302 -0.273 20 0 CBADLP Cc1nocc1C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000595902678 355316477 /nfs/dbraw/zinc/31/64/77/355316477.db2.gz FFRQYKJWTLXDKP-WDEREUQCSA-N 2 2 250.302 -0.273 20 0 CBADLP COC(=O)CCN1CCC[C@@H]([N@@H+]2CC3CC2(C[NH3+])C3)C1=O ZINC000595903778 355316557 /nfs/dbraw/zinc/31/65/57/355316557.db2.gz WONRBLIOAPAVGC-MQYJIDSJSA-N 2 2 295.383 -0.036 20 0 CBADLP COC(=O)CCN1CCC[C@@H]([N@H+]2CC3CC2(C[NH3+])C3)C1=O ZINC000595903778 355316561 /nfs/dbraw/zinc/31/65/61/355316561.db2.gz WONRBLIOAPAVGC-MQYJIDSJSA-N 2 2 295.383 -0.036 20 0 CBADLP CCc1nocc1C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000595903313 355316978 /nfs/dbraw/zinc/31/69/78/355316978.db2.gz TXOWXPRFNOVPCW-WDEREUQCSA-N 2 2 264.329 -0.019 20 0 CBADLP CCc1nocc1C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000595903313 355316980 /nfs/dbraw/zinc/31/69/80/355316980.db2.gz TXOWXPRFNOVPCW-WDEREUQCSA-N 2 2 264.329 -0.019 20 0 CBADLP COC(=O)[C@](C)(CCF)[NH2+]CCN1CC[NH2+]CC1 ZINC000595910692 355317706 /nfs/dbraw/zinc/31/77/06/355317706.db2.gz QRMCVZAEKFADLT-LBPRGKRZSA-N 2 2 261.341 -0.228 20 0 CBADLP COC(=O)CN(CC[NH+]1CCOCC1)C(=O)CC1([NH3+])CC1 ZINC000595956968 355328811 /nfs/dbraw/zinc/32/88/11/355328811.db2.gz RRJXRKVDJFPSOR-UHFFFAOYSA-N 2 2 299.371 -0.798 20 0 CBADLP COC(=O)C[C@]1([NH2+]C[C@@H](O)C[N@H+](C)C(C)C)CCOC1 ZINC000595442207 355286926 /nfs/dbraw/zinc/28/69/26/355286926.db2.gz QGVCDTXGHWGVNQ-TZMCWYRMSA-N 2 2 288.388 -0.001 20 0 CBADLP COC(=O)C[C@]1([NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)CCOC1 ZINC000595442207 355286928 /nfs/dbraw/zinc/28/69/28/355286928.db2.gz QGVCDTXGHWGVNQ-TZMCWYRMSA-N 2 2 288.388 -0.001 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@](OC)(C(=O)OC)C1 ZINC000599557803 355498086 /nfs/dbraw/zinc/49/80/86/355498086.db2.gz CBLATCZQGYIIIQ-YPMHNXCESA-N 2 2 274.361 -0.437 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@](OC)(C(=O)OC)C1 ZINC000599557803 355498088 /nfs/dbraw/zinc/49/80/88/355498088.db2.gz CBLATCZQGYIIIQ-YPMHNXCESA-N 2 2 274.361 -0.437 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@](OC)(C(=O)OC)C1 ZINC000599557803 355498091 /nfs/dbraw/zinc/49/80/91/355498091.db2.gz CBLATCZQGYIIIQ-YPMHNXCESA-N 2 2 274.361 -0.437 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@](OC)(C(=O)OC)C1 ZINC000599557803 355498096 /nfs/dbraw/zinc/49/80/96/355498096.db2.gz CBLATCZQGYIIIQ-YPMHNXCESA-N 2 2 274.361 -0.437 20 0 CBADLP COC(=O)[C@@]1(OC)CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000599558910 355498872 /nfs/dbraw/zinc/49/88/72/355498872.db2.gz PONROHJAUMLJIG-TZMCWYRMSA-N 2 2 288.388 -0.049 20 0 CBADLP COC(=O)[C@@]1(OC)CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000599558910 355498874 /nfs/dbraw/zinc/49/88/74/355498874.db2.gz PONROHJAUMLJIG-TZMCWYRMSA-N 2 2 288.388 -0.049 20 0 CBADLP COC(=O)[C@@]1(OC)CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C1 ZINC000599558910 355498875 /nfs/dbraw/zinc/49/88/75/355498875.db2.gz PONROHJAUMLJIG-TZMCWYRMSA-N 2 2 288.388 -0.049 20 0 CBADLP COC(=O)[C@@]1(OC)CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000599558910 355498878 /nfs/dbraw/zinc/49/88/78/355498878.db2.gz PONROHJAUMLJIG-TZMCWYRMSA-N 2 2 288.388 -0.049 20 0 CBADLP COC(=O)CCNC(=O)CC[NH2+]Cc1c[nH+]c(C)n1C ZINC000599003593 355458269 /nfs/dbraw/zinc/45/82/69/355458269.db2.gz AODUPBVWIVBHEQ-UHFFFAOYSA-N 2 2 282.344 -0.112 20 0 CBADLP COC(=O)CCNC(=O)CC[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000599007438 355459308 /nfs/dbraw/zinc/45/93/08/355459308.db2.gz KBXAFTWCHKPCOY-MNOVXSKESA-N 2 2 271.361 -0.405 20 0 CBADLP COC(=O)CCNC(=O)CC[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000599007438 355459310 /nfs/dbraw/zinc/45/93/10/355459310.db2.gz KBXAFTWCHKPCOY-MNOVXSKESA-N 2 2 271.361 -0.405 20 0 CBADLP CCOC(=O)C[C@@H](O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000599384681 355483823 /nfs/dbraw/zinc/48/38/23/355483823.db2.gz BXYQGCQAQLYKQW-LLVKDONJSA-N 2 2 282.344 -0.154 20 0 CBADLP CCn1nnc(C)c1C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000600707618 355561925 /nfs/dbraw/zinc/56/19/25/355561925.db2.gz CPHTWALPWFYWIP-GHMZBOCLSA-N 2 2 278.360 -0.650 20 0 CBADLP CCn1nnc(C)c1C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000600707618 355561927 /nfs/dbraw/zinc/56/19/27/355561927.db2.gz CPHTWALPWFYWIP-GHMZBOCLSA-N 2 2 278.360 -0.650 20 0 CBADLP NC(=O)NC(=O)CC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601334487 355588231 /nfs/dbraw/zinc/58/82/31/355588231.db2.gz LLTAXEHMDSWWAE-VHSXEESVSA-N 2 2 254.334 -0.355 20 0 CBADLP NC(=O)NC(=O)CC[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601334487 355588232 /nfs/dbraw/zinc/58/82/32/355588232.db2.gz LLTAXEHMDSWWAE-VHSXEESVSA-N 2 2 254.334 -0.355 20 0 CBADLP COc1ccncc1C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000600709590 355562464 /nfs/dbraw/zinc/56/24/64/355562464.db2.gz LGRJZHHZJHZMBS-NEPJUHHUSA-N 2 2 276.340 -0.166 20 0 CBADLP COc1ccncc1C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000600709590 355562465 /nfs/dbraw/zinc/56/24/65/355562465.db2.gz LGRJZHHZJHZMBS-NEPJUHHUSA-N 2 2 276.340 -0.166 20 0 CBADLP COC(=O)CCC[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000600715051 355563222 /nfs/dbraw/zinc/56/32/22/355563222.db2.gz XLUQONNPPXWGCZ-UHFFFAOYSA-N 2 2 298.387 -0.418 20 0 CBADLP COc1ccc[nH+]c1N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000600946744 355571062 /nfs/dbraw/zinc/57/10/62/355571062.db2.gz HSYZTZHFJXWUMH-ZJUUUORDSA-N 2 2 262.313 -0.162 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)CN2CC[NH+](C)CC2)CCO1 ZINC000600982995 355573267 /nfs/dbraw/zinc/57/32/67/355573267.db2.gz JMQMKWBUJADBHJ-ZDUSSCGKSA-N 2 2 284.404 -0.929 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)CN2CC[NH+](C)CC2)CCO1 ZINC000600982995 355573271 /nfs/dbraw/zinc/57/32/71/355573271.db2.gz JMQMKWBUJADBHJ-ZDUSSCGKSA-N 2 2 284.404 -0.929 20 0 CBADLP CN1CC[N@H+](C)[C@@H](CNC(=O)NCCC[NH+](C)C)C1 ZINC000601208730 355580651 /nfs/dbraw/zinc/58/06/51/355580651.db2.gz ZTZCSUVMPQXPCF-LBPRGKRZSA-N 2 2 271.409 -0.517 20 0 CBADLP CN1CC[N@@H+](C)[C@@H](CNC(=O)NCCC[NH+](C)C)C1 ZINC000601208730 355580652 /nfs/dbraw/zinc/58/06/52/355580652.db2.gz ZTZCSUVMPQXPCF-LBPRGKRZSA-N 2 2 271.409 -0.517 20 0 CBADLP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000602491752 355653714 /nfs/dbraw/zinc/65/37/14/355653714.db2.gz MQOFREKUXMIOCI-FOGDFJRCSA-N 2 2 292.339 -0.123 20 0 CBADLP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000602491752 355653718 /nfs/dbraw/zinc/65/37/18/355653718.db2.gz MQOFREKUXMIOCI-FOGDFJRCSA-N 2 2 292.339 -0.123 20 0 CBADLP COC(=O)c1cc(C[NH2+]CC(=O)N2CC[NH+](C)CC2)on1 ZINC000602528973 355658707 /nfs/dbraw/zinc/65/87/07/355658707.db2.gz PMLNSEWWTWDINU-UHFFFAOYSA-N 2 2 296.327 -0.675 20 0 CBADLP [NH3+][C@@H]1C[C@@H]2CN(c3nc[nH+]c4c3OCCN4)CCN2C1=O ZINC000601982554 355625111 /nfs/dbraw/zinc/62/51/11/355625111.db2.gz HSEBZODWVMVGBY-RKDXNWHRSA-N 2 2 290.327 -0.971 20 0 CBADLP [NH3+][C@@H]1C[C@@H]2CN(c3[nH+]cnc4c3OCCN4)CCN2C1=O ZINC000601982554 355625117 /nfs/dbraw/zinc/62/51/17/355625117.db2.gz HSEBZODWVMVGBY-RKDXNWHRSA-N 2 2 290.327 -0.971 20 0 CBADLP COC(=O)CNC(=O)C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000602749809 355669299 /nfs/dbraw/zinc/66/92/99/355669299.db2.gz MBXXNVDLOVBSGK-ZJUUUORDSA-N 2 2 257.334 -0.652 20 0 CBADLP COC(=O)CNC(=O)C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000602749809 355669303 /nfs/dbraw/zinc/66/93/03/355669303.db2.gz MBXXNVDLOVBSGK-ZJUUUORDSA-N 2 2 257.334 -0.652 20 0 CBADLP COC(=O)CNC(=O)C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000602749184 355669793 /nfs/dbraw/zinc/66/97/93/355669793.db2.gz KHQAMFNXPSKOFW-UHFFFAOYSA-N 2 2 266.301 -0.792 20 0 CBADLP COC(=O)[C@H]1C[C@H](O)C[N@@H+]1CCc1c[nH+]cn1C ZINC000602815562 355673446 /nfs/dbraw/zinc/67/34/46/355673446.db2.gz LQMLMVINQQRGAA-WDEREUQCSA-N 2 2 253.302 -0.429 20 0 CBADLP COC(=O)[C@H]1C[C@H](O)C[N@H+]1CCc1c[nH+]cn1C ZINC000602815562 355673449 /nfs/dbraw/zinc/67/34/49/355673449.db2.gz LQMLMVINQQRGAA-WDEREUQCSA-N 2 2 253.302 -0.429 20 0 CBADLP COC(=O)[C@](C)(O)C[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000602875947 355679562 /nfs/dbraw/zinc/67/95/62/355679562.db2.gz CEYNMKQJMIHTHG-OLZOCXBDSA-N 2 2 274.361 -0.701 20 0 CBADLP COC(=O)[C@](C)(O)C[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000602875947 355679566 /nfs/dbraw/zinc/67/95/66/355679566.db2.gz CEYNMKQJMIHTHG-OLZOCXBDSA-N 2 2 274.361 -0.701 20 0 CBADLP C(C[NH+]1C[C@H]2C[NH2+]C[C@H]2C1)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000607151006 355746522 /nfs/dbraw/zinc/74/65/22/355746522.db2.gz ZSTUQNQBBGCBPG-NMWPEEMBSA-N 4 2 264.417 -0.321 20 0 CBADLP C(C[NH+]1C[C@H]2C[NH2+]C[C@H]2C1)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000607151006 355746523 /nfs/dbraw/zinc/74/65/23/355746523.db2.gz ZSTUQNQBBGCBPG-NMWPEEMBSA-N 4 2 264.417 -0.321 20 0 CBADLP CCOC(=O)CN(C)C(=O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000609536196 355770473 /nfs/dbraw/zinc/77/04/73/355770473.db2.gz FIWGTOVOFSIWDZ-QWRGUYRKSA-N 2 2 269.345 -0.841 20 0 CBADLP c1c[nH]c(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)n1 ZINC000604418197 355725060 /nfs/dbraw/zinc/72/50/60/355725060.db2.gz LJSVXLRZPGEYDD-CYBMUJFWSA-N 2 2 279.388 -0.094 20 0 CBADLP CC(C)(C)OC(=O)CNC(=O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000612061123 355821734 /nfs/dbraw/zinc/82/17/34/355821734.db2.gz UGEBYLUBXUPZHU-PHIMTYICSA-N 2 2 283.372 -0.405 20 0 CBADLP CC(C)(C)OC(=O)CNC(=O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000612061123 355821739 /nfs/dbraw/zinc/82/17/39/355821739.db2.gz UGEBYLUBXUPZHU-PHIMTYICSA-N 2 2 283.372 -0.405 20 0 CBADLP CC[C@@H](CO)[NH+]1CCN(C(=O)C2([NH+](C)C)CC2)CC1 ZINC000612677943 355846704 /nfs/dbraw/zinc/84/67/04/355846704.db2.gz DTOJVSLCFPUFFE-LBPRGKRZSA-N 2 2 269.389 -0.004 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000612867561 355853117 /nfs/dbraw/zinc/85/31/17/355853117.db2.gz BQPSINCPODIWCZ-YPMHNXCESA-N 2 2 270.377 -0.242 20 0 CBADLP C[NH+](C)C[C@](C)(O)CNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000612871995 355854314 /nfs/dbraw/zinc/85/43/14/355854314.db2.gz RNIOAKTUXNMEIV-IINYFYTJSA-N 2 2 280.372 -0.057 20 0 CBADLP C[NH+](C)C[C@](C)(O)CNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000612871995 355854317 /nfs/dbraw/zinc/85/43/17/355854317.db2.gz RNIOAKTUXNMEIV-IINYFYTJSA-N 2 2 280.372 -0.057 20 0 CBADLP CN1CC[N@H+](C)[C@@H](CNC(=O)N[C@@]2(C)CC[NH2+]C2)C1 ZINC000612881186 355854921 /nfs/dbraw/zinc/85/49/21/355854921.db2.gz ZCWFOJLJXKIHHK-AAEUAGOBSA-N 2 2 269.393 -0.717 20 0 CBADLP CN1CC[N@@H+](C)[C@@H](CNC(=O)N[C@@]2(C)CC[NH2+]C2)C1 ZINC000612881186 355854924 /nfs/dbraw/zinc/85/49/24/355854924.db2.gz ZCWFOJLJXKIHHK-AAEUAGOBSA-N 2 2 269.393 -0.717 20 0 CBADLP C[NH+](C)C1(C(=O)NCC[N@@H+]2CCCOCC2)CC1 ZINC000613796956 355912259 /nfs/dbraw/zinc/91/22/59/355912259.db2.gz DMFYZPPDNVDAPJ-UHFFFAOYSA-N 2 2 255.362 -0.081 20 0 CBADLP C[NH+](C)C1(C(=O)NCC[N@H+]2CCCOCC2)CC1 ZINC000613796956 355912264 /nfs/dbraw/zinc/91/22/64/355912264.db2.gz DMFYZPPDNVDAPJ-UHFFFAOYSA-N 2 2 255.362 -0.081 20 0 CBADLP C[NH+](C)C[C@H](CO)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000614849758 355989849 /nfs/dbraw/zinc/98/98/49/355989849.db2.gz NOKVSIDREIHZJA-WDEREUQCSA-N 2 2 266.345 -0.516 20 0 CBADLP C[NH+](C)C[C@H](CO)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000614859000 355994334 /nfs/dbraw/zinc/99/43/34/355994334.db2.gz UIFHJOCHXHMEMQ-GFCCVEGCSA-N 2 2 280.372 -0.199 20 0 CBADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](CO)C[NH+](C)C ZINC000614859441 355995589 /nfs/dbraw/zinc/99/55/89/355995589.db2.gz ZIIFRVWGCSYXRS-KOLCDFICSA-N 2 2 254.334 -0.373 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](CO)C[NH+](C)C ZINC000614859441 355995592 /nfs/dbraw/zinc/99/55/92/355995592.db2.gz ZIIFRVWGCSYXRS-KOLCDFICSA-N 2 2 254.334 -0.373 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000614503548 355964327 /nfs/dbraw/zinc/96/43/27/355964327.db2.gz QCYUGBFWTGASTJ-ZDUSSCGKSA-N 2 2 277.372 -0.152 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000614503548 355964328 /nfs/dbraw/zinc/96/43/28/355964328.db2.gz QCYUGBFWTGASTJ-ZDUSSCGKSA-N 2 2 277.372 -0.152 20 0 CBADLP CCN1OC[C@@H]([N@@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)C1=O ZINC000616015873 356063143 /nfs/dbraw/zinc/06/31/43/356063143.db2.gz FMCDHHWPOSJKKV-UONOGXRCSA-N 2 2 296.415 -0.140 20 0 CBADLP CCN1OC[C@@H]([N@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)C1=O ZINC000616015873 356063145 /nfs/dbraw/zinc/06/31/45/356063145.db2.gz FMCDHHWPOSJKKV-UONOGXRCSA-N 2 2 296.415 -0.140 20 0 CBADLP C[C@H]1C[N@H+](CCO)CCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000616154027 356068540 /nfs/dbraw/zinc/06/85/40/356068540.db2.gz CTPWMUMXUHKWOY-STQMWFEESA-N 2 2 292.383 -0.030 20 0 CBADLP C[C@H]1C[N@@H+](CCO)CCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000616154027 356068548 /nfs/dbraw/zinc/06/85/48/356068548.db2.gz CTPWMUMXUHKWOY-STQMWFEESA-N 2 2 292.383 -0.030 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]2C[NH+](C)CCO2)[C@H](C)CO1 ZINC000617731172 356152596 /nfs/dbraw/zinc/15/25/96/356152596.db2.gz WJLLFYYBLODXDP-JHJVBQTASA-N 2 2 285.388 -0.458 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2C[NH+](C)CCO2)[C@H](C)CO1 ZINC000617731172 356152597 /nfs/dbraw/zinc/15/25/97/356152597.db2.gz WJLLFYYBLODXDP-JHJVBQTASA-N 2 2 285.388 -0.458 20 0 CBADLP C[C@@H]1C[NH+](CCNC(=O)[C@H]2C[N@H+](C)CCO2)[C@H](C)CO1 ZINC000617731172 356152600 /nfs/dbraw/zinc/15/26/00/356152600.db2.gz WJLLFYYBLODXDP-JHJVBQTASA-N 2 2 285.388 -0.458 20 0 CBADLP C[C@@H]1C[NH+](CCNC(=O)[C@H]2C[N@@H+](C)CCO2)[C@H](C)CO1 ZINC000617731172 356152601 /nfs/dbraw/zinc/15/26/01/356152601.db2.gz WJLLFYYBLODXDP-JHJVBQTASA-N 2 2 285.388 -0.458 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NCC[C@@H](C)[NH+](C)C ZINC000617747000 356153890 /nfs/dbraw/zinc/15/38/90/356153890.db2.gz PNIXUXAZNDROGT-GFCCVEGCSA-N 2 2 286.420 -0.101 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NCC[C@@H](C)[NH+](C)C ZINC000617747000 356153893 /nfs/dbraw/zinc/15/38/93/356153893.db2.gz PNIXUXAZNDROGT-GFCCVEGCSA-N 2 2 286.420 -0.101 20 0 CBADLP Cn1ccc(CC(=O)NCC[N@H+](C)CCC[NH+](C)C)n1 ZINC000617763169 356155222 /nfs/dbraw/zinc/15/52/22/356155222.db2.gz IDRNIBJNLDVRSO-UHFFFAOYSA-N 2 2 281.404 -0.038 20 0 CBADLP Cn1ccc(CC(=O)NCC[N@@H+](C)CCC[NH+](C)C)n1 ZINC000617763169 356155225 /nfs/dbraw/zinc/15/52/25/356155225.db2.gz IDRNIBJNLDVRSO-UHFFFAOYSA-N 2 2 281.404 -0.038 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C[C@H]1CCC(=O)NC1 ZINC000617762826 356155380 /nfs/dbraw/zinc/15/53/80/356155380.db2.gz ZYPLVFGGWWOCPW-CYBMUJFWSA-N 2 2 298.431 -0.098 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C[C@H]1CCC(=O)NC1 ZINC000617762826 356155385 /nfs/dbraw/zinc/15/53/85/356155385.db2.gz ZYPLVFGGWWOCPW-CYBMUJFWSA-N 2 2 298.431 -0.098 20 0 CBADLP C[C@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)n1cncn1 ZINC000617765725 356156439 /nfs/dbraw/zinc/15/64/39/356156439.db2.gz NRRFLQSMQRYIEG-GFCCVEGCSA-N 2 2 282.392 -0.161 20 0 CBADLP C[C@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)n1cncn1 ZINC000617765725 356156444 /nfs/dbraw/zinc/15/64/44/356156444.db2.gz NRRFLQSMQRYIEG-GFCCVEGCSA-N 2 2 282.392 -0.161 20 0 CBADLP CCC(=O)N[C@H](C)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617766957 356156529 /nfs/dbraw/zinc/15/65/29/356156529.db2.gz AAGRFHPFISUHGF-GFCCVEGCSA-N 2 2 286.420 -0.099 20 0 CBADLP CCC(=O)N[C@H](C)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617766957 356156532 /nfs/dbraw/zinc/15/65/32/356156532.db2.gz AAGRFHPFISUHGF-GFCCVEGCSA-N 2 2 286.420 -0.099 20 0 CBADLP CCC(=O)N[C@@H](C)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617766958 356156768 /nfs/dbraw/zinc/15/67/68/356156768.db2.gz AAGRFHPFISUHGF-LBPRGKRZSA-N 2 2 286.420 -0.099 20 0 CBADLP CCC(=O)N[C@@H](C)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617766958 356156771 /nfs/dbraw/zinc/15/67/71/356156771.db2.gz AAGRFHPFISUHGF-LBPRGKRZSA-N 2 2 286.420 -0.099 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1CCC(=O)NC1 ZINC000617767524 356157049 /nfs/dbraw/zinc/15/70/49/356157049.db2.gz YWYAOQBDQYXQHY-LBPRGKRZSA-N 2 2 284.404 -0.488 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1CCC(=O)NC1 ZINC000617767524 356157053 /nfs/dbraw/zinc/15/70/53/356157053.db2.gz YWYAOQBDQYXQHY-LBPRGKRZSA-N 2 2 284.404 -0.488 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cn1cccnc1=O ZINC000617767838 356157127 /nfs/dbraw/zinc/15/71/27/356157127.db2.gz FOTUNVDECIAHIP-UHFFFAOYSA-N 2 2 295.387 -0.757 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cn1cccnc1=O ZINC000617767838 356157131 /nfs/dbraw/zinc/15/71/31/356157131.db2.gz FOTUNVDECIAHIP-UHFFFAOYSA-N 2 2 295.387 -0.757 20 0 CBADLP C[C@@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)n1cncn1 ZINC000617765726 356157190 /nfs/dbraw/zinc/15/71/90/356157190.db2.gz NRRFLQSMQRYIEG-LBPRGKRZSA-N 2 2 282.392 -0.161 20 0 CBADLP C[C@@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)n1cncn1 ZINC000617765726 356157193 /nfs/dbraw/zinc/15/71/93/356157193.db2.gz NRRFLQSMQRYIEG-LBPRGKRZSA-N 2 2 282.392 -0.161 20 0 CBADLP CC(=O)N(C)CC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617767884 356157263 /nfs/dbraw/zinc/15/72/63/356157263.db2.gz HEGRKEGDULDPSM-UHFFFAOYSA-N 2 2 272.393 -0.536 20 0 CBADLP CC(=O)N(C)CC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617767884 356157265 /nfs/dbraw/zinc/15/72/65/356157265.db2.gz HEGRKEGDULDPSM-UHFFFAOYSA-N 2 2 272.393 -0.536 20 0 CBADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cn[nH]n1 ZINC000617504685 356139800 /nfs/dbraw/zinc/13/98/00/356139800.db2.gz FTQZMZGIQFHCOL-JTQLQIEISA-N 2 2 268.365 -0.194 20 0 CBADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cn[nH]n1 ZINC000617504685 356139803 /nfs/dbraw/zinc/13/98/03/356139803.db2.gz FTQZMZGIQFHCOL-JTQLQIEISA-N 2 2 268.365 -0.194 20 0 CBADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cnn[nH]1 ZINC000617504685 356139805 /nfs/dbraw/zinc/13/98/05/356139805.db2.gz FTQZMZGIQFHCOL-JTQLQIEISA-N 2 2 268.365 -0.194 20 0 CBADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cnn[nH]1 ZINC000617504685 356139810 /nfs/dbraw/zinc/13/98/10/356139810.db2.gz FTQZMZGIQFHCOL-JTQLQIEISA-N 2 2 268.365 -0.194 20 0 CBADLP CCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@@H]1CC[N@H+](C)C1 ZINC000617555224 356142373 /nfs/dbraw/zinc/14/23/73/356142373.db2.gz RNBAGQBSBDGANV-VXGBXAGGSA-N 2 2 255.362 -0.130 20 0 CBADLP CCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@@H]1CC[N@@H+](C)C1 ZINC000617555224 356142377 /nfs/dbraw/zinc/14/23/77/356142377.db2.gz RNBAGQBSBDGANV-VXGBXAGGSA-N 2 2 255.362 -0.130 20 0 CBADLP CCN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@@H]1CC[NH+](C)C1 ZINC000617555224 356142379 /nfs/dbraw/zinc/14/23/79/356142379.db2.gz RNBAGQBSBDGANV-VXGBXAGGSA-N 2 2 255.362 -0.130 20 0 CBADLP CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@@H]1CC[NH+](C)C1 ZINC000617555224 356142383 /nfs/dbraw/zinc/14/23/83/356142383.db2.gz RNBAGQBSBDGANV-VXGBXAGGSA-N 2 2 255.362 -0.130 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000618903194 356198769 /nfs/dbraw/zinc/19/87/69/356198769.db2.gz CBZFAZSGORSPOW-MRVPVSSYSA-N 2 2 266.305 -0.885 20 0 CBADLP CNS(=O)(=O)CC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000621262945 356261400 /nfs/dbraw/zinc/26/14/00/356261400.db2.gz XJILLMNOIPSXJG-UHFFFAOYSA-N 2 2 284.385 -0.247 20 0 CBADLP CNS(=O)(=O)CC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000621258858 356261553 /nfs/dbraw/zinc/26/15/53/356261553.db2.gz ABJGYXKMTCWNFO-LBPRGKRZSA-N 2 2 275.418 -0.047 20 0 CBADLP CNS(=O)(=O)CC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000621258858 356261556 /nfs/dbraw/zinc/26/15/56/356261556.db2.gz ABJGYXKMTCWNFO-LBPRGKRZSA-N 2 2 275.418 -0.047 20 0 CBADLP CNS(=O)(=O)CC[N@H+](C)CCCn1cc[nH+]c1 ZINC000621271858 356263723 /nfs/dbraw/zinc/26/37/23/356263723.db2.gz VXUMUZGORQRLOI-UHFFFAOYSA-N 2 2 260.363 -0.246 20 0 CBADLP CNS(=O)(=O)CC[N@@H+](C)CCCn1cc[nH+]c1 ZINC000621271858 356263724 /nfs/dbraw/zinc/26/37/24/356263724.db2.gz VXUMUZGORQRLOI-UHFFFAOYSA-N 2 2 260.363 -0.246 20 0 CBADLP C[C@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)C[C@H]1CO ZINC000621365052 356273444 /nfs/dbraw/zinc/27/34/44/356273444.db2.gz PNVVMGDMXYMLPP-STQMWFEESA-N 2 2 269.389 -0.289 20 0 CBADLP C[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C[C@H]1CO ZINC000621365052 356273446 /nfs/dbraw/zinc/27/34/46/356273446.db2.gz PNVVMGDMXYMLPP-STQMWFEESA-N 2 2 269.389 -0.289 20 0 CBADLP CCn1cc(CC[N@H+](CC[NH3+])C[C@@H](O)CO)cn1 ZINC000621776103 356283689 /nfs/dbraw/zinc/28/36/89/356283689.db2.gz CEHIQQTYZJDFNT-GFCCVEGCSA-N 2 2 256.350 -0.941 20 0 CBADLP CCn1cc(CC[N@@H+](CC[NH3+])C[C@@H](O)CO)cn1 ZINC000621776103 356283692 /nfs/dbraw/zinc/28/36/92/356283692.db2.gz CEHIQQTYZJDFNT-GFCCVEGCSA-N 2 2 256.350 -0.941 20 0 CBADLP [NH3+][C@@]12CCC[C@H]1C[N@H+](CCN1C(=O)CCC1=O)C2 ZINC000621779978 356284749 /nfs/dbraw/zinc/28/47/49/356284749.db2.gz LXLMMXXGVQNCQU-GXFFZTMASA-N 2 2 251.330 -0.051 20 0 CBADLP [NH3+][C@@]12CCC[C@H]1C[N@@H+](CCN1C(=O)CCC1=O)C2 ZINC000621779978 356284752 /nfs/dbraw/zinc/28/47/52/356284752.db2.gz LXLMMXXGVQNCQU-GXFFZTMASA-N 2 2 251.330 -0.051 20 0 CBADLP CC(=O)N1CC[C@@H]([NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)C1 ZINC000622044622 356302644 /nfs/dbraw/zinc/30/26/44/356302644.db2.gz NAAYGNHFETYVEX-RAIGVLPGSA-N 2 2 255.362 -0.036 20 0 CBADLP CC(=O)N1CC[C@@H]([NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000622044596 356302856 /nfs/dbraw/zinc/30/28/56/356302856.db2.gz LRUZTKJWLFGKJK-HZSPNIEDSA-N 2 2 267.373 -0.036 20 0 CBADLP COc1ncncc1C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000623619538 356368930 /nfs/dbraw/zinc/36/89/30/356368930.db2.gz KIRWFFBCXJCCCC-LBPRGKRZSA-N 2 2 293.371 -0.085 20 0 CBADLP COc1ncncc1C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000623619538 356368934 /nfs/dbraw/zinc/36/89/34/356368934.db2.gz KIRWFFBCXJCCCC-LBPRGKRZSA-N 2 2 293.371 -0.085 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000623306261 356361397 /nfs/dbraw/zinc/36/13/97/356361397.db2.gz JNGAHDPZOULOBE-PWSUYJOCSA-N 2 2 264.329 -0.355 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000623306261 356361401 /nfs/dbraw/zinc/36/14/01/356361401.db2.gz JNGAHDPZOULOBE-PWSUYJOCSA-N 2 2 264.329 -0.355 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NCCCN1CC[NH+](C)CC1 ZINC000623523938 356366475 /nfs/dbraw/zinc/36/64/75/356366475.db2.gz VYBSRBSLDAEMLW-UHFFFAOYSA-N 2 2 279.388 -0.055 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NCCC[NH+]1CCN(C)CC1 ZINC000623523938 356366480 /nfs/dbraw/zinc/36/64/80/356366480.db2.gz VYBSRBSLDAEMLW-UHFFFAOYSA-N 2 2 279.388 -0.055 20 0 CBADLP CN(C)c1[nH+]cc(C[NH2+]C[C@@H]2COCCN2C)n1C ZINC000623712752 356371722 /nfs/dbraw/zinc/37/17/22/356371722.db2.gz KRNKMQCYAOILKB-GFCCVEGCSA-N 2 2 267.377 -0.094 20 0 CBADLP Nc1nc(NCC[N@@H+]2CCc3ccccc3C2)nc(N)[nH+]1 ZINC000623842089 356377763 /nfs/dbraw/zinc/37/77/63/356377763.db2.gz DQELGFMCPQCLKV-UHFFFAOYSA-N 2 2 285.355 -0.411 20 0 CBADLP Nc1nc(NCC[N@H+]2CCc3ccccc3C2)nc(N)[nH+]1 ZINC000623842089 356377766 /nfs/dbraw/zinc/37/77/66/356377766.db2.gz DQELGFMCPQCLKV-UHFFFAOYSA-N 2 2 285.355 -0.411 20 0 CBADLP Nc1nc(N)[nH+]c(NCCC[N@@H+]2CCc3ccccc3C2)n1 ZINC000623847046 356378913 /nfs/dbraw/zinc/37/89/13/356378913.db2.gz CJZAEFBBRBHNTB-UHFFFAOYSA-N 2 2 299.382 -0.021 20 0 CBADLP Nc1nc(N)[nH+]c(NCCC[N@H+]2CCc3ccccc3C2)n1 ZINC000623847046 356378917 /nfs/dbraw/zinc/37/89/17/356378917.db2.gz CJZAEFBBRBHNTB-UHFFFAOYSA-N 2 2 299.382 -0.021 20 0 CBADLP Nc1nc(N)[nH+]c(N2CCC(C[NH+]3CCOCC3)CC2)n1 ZINC000623866224 356380400 /nfs/dbraw/zinc/38/04/00/356380400.db2.gz OZMPTTGWBDBYLD-UHFFFAOYSA-N 2 2 293.375 -0.755 20 0 CBADLP C[NH+](C)Cc1cc(CNc2nc(N)[nH+]c(N)n2)ccc1F ZINC000623975013 356385640 /nfs/dbraw/zinc/38/56/40/356385640.db2.gz WOSWZGXIIAGKJF-UHFFFAOYSA-N 2 2 291.334 -0.069 20 0 CBADLP C[NH+](C)Cc1cc(CNc2nc(N)nc(N)[nH+]2)ccc1F ZINC000623975013 356385642 /nfs/dbraw/zinc/38/56/42/356385642.db2.gz WOSWZGXIIAGKJF-UHFFFAOYSA-N 2 2 291.334 -0.069 20 0 CBADLP CC[N@@H+]1CC[C@H](N(C)c2nc(N)nc(N)[nH+]2)[C@@H](C)C1 ZINC000623991416 356386852 /nfs/dbraw/zinc/38/68/52/356386852.db2.gz HCAOEBNALRBSSK-IUCAKERBSA-N 2 2 265.365 -0.137 20 0 CBADLP CC[N@H+]1CC[C@H](N(C)c2nc(N)nc(N)[nH+]2)[C@@H](C)C1 ZINC000623991416 356386854 /nfs/dbraw/zinc/38/68/54/356386854.db2.gz HCAOEBNALRBSSK-IUCAKERBSA-N 2 2 265.365 -0.137 20 0 CBADLP Nc1nc(N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)nc(N)[nH+]1 ZINC000624039054 356392664 /nfs/dbraw/zinc/39/26/64/356392664.db2.gz YEKBBDYGHWPFNC-UWVGGRQHSA-N 2 2 293.375 -0.826 20 0 CBADLP CCC[C@@H]1CN(c2nc(N)[nH+]c(N)n2)CC[N@@H+]1CCOC ZINC000624075949 356395054 /nfs/dbraw/zinc/39/50/54/356395054.db2.gz AODSGXMFCKHXSP-SNVBAGLBSA-N 2 2 295.391 -0.366 20 0 CBADLP CCC[C@@H]1CN(c2nc(N)[nH+]c(N)n2)CC[N@H+]1CCOC ZINC000624075949 356395057 /nfs/dbraw/zinc/39/50/57/356395057.db2.gz AODSGXMFCKHXSP-SNVBAGLBSA-N 2 2 295.391 -0.366 20 0 CBADLP Nc1nc(N2CCC[C@H]([NH+]3CCOCC3)CC2)nc(N)[nH+]1 ZINC000624375011 356414996 /nfs/dbraw/zinc/41/49/96/356414996.db2.gz DOLTZSANGSXRFW-JTQLQIEISA-N 2 2 293.375 -0.612 20 0 CBADLP Nc1nc(N)[nH+]c(N2CCC[C@H]([NH+]3CCOCC3)CC2)n1 ZINC000624375011 356414999 /nfs/dbraw/zinc/41/49/99/356414999.db2.gz DOLTZSANGSXRFW-JTQLQIEISA-N 2 2 293.375 -0.612 20 0 CBADLP C[C@@H]1C[C@@H]([NH2+]C2CN(S(=O)(=O)N(C)C)C2)CC[N@@H+]1C ZINC000624283146 356409395 /nfs/dbraw/zinc/40/93/95/356409395.db2.gz FZUYNWWPSROICF-MNOVXSKESA-N 2 2 290.433 -0.451 20 0 CBADLP C[C@@H]1C[C@@H]([NH2+]C2CN(S(=O)(=O)N(C)C)C2)CC[N@H+]1C ZINC000624283146 356409397 /nfs/dbraw/zinc/40/93/97/356409397.db2.gz FZUYNWWPSROICF-MNOVXSKESA-N 2 2 290.433 -0.451 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H]3CC[C@@H](O)[C@@H]32)CC1 ZINC000626137613 356513119 /nfs/dbraw/zinc/51/31/19/356513119.db2.gz NNICRAOZLMJBKS-OUCADQQQSA-N 2 2 267.373 -0.394 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H]3CC[C@@H](O)[C@@H]32)CC1 ZINC000626137613 356513123 /nfs/dbraw/zinc/51/31/23/356513123.db2.gz NNICRAOZLMJBKS-OUCADQQQSA-N 2 2 267.373 -0.394 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000625898296 356496797 /nfs/dbraw/zinc/49/67/97/356496797.db2.gz MKVICEIDNUISMK-DTWKUNHWSA-N 2 2 298.309 -0.104 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000625898296 356496800 /nfs/dbraw/zinc/49/68/00/356496800.db2.gz MKVICEIDNUISMK-DTWKUNHWSA-N 2 2 298.309 -0.104 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)Nc1ncccc1C[NH3+] ZINC000625897894 356496916 /nfs/dbraw/zinc/49/69/16/356496916.db2.gz ZEUFKXHUKBSTRC-LLVKDONJSA-N 2 2 279.344 -0.008 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)Nc1ncccc1C[NH3+] ZINC000625897894 356496920 /nfs/dbraw/zinc/49/69/20/356496920.db2.gz ZEUFKXHUKBSTRC-LLVKDONJSA-N 2 2 279.344 -0.008 20 0 CBADLP Cn1c[nH+]cc1CCC[N@@H+]1CCO[C@H](CC(N)=O)C1 ZINC000626076694 356506164 /nfs/dbraw/zinc/50/61/64/356506164.db2.gz STKGNMKIXRRBII-GFCCVEGCSA-N 2 2 266.345 -0.071 20 0 CBADLP Cn1c[nH+]cc1CCC[N@H+]1CCO[C@H](CC(N)=O)C1 ZINC000626076694 356506168 /nfs/dbraw/zinc/50/61/68/356506168.db2.gz STKGNMKIXRRBII-GFCCVEGCSA-N 2 2 266.345 -0.071 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NCCOCCC[NH3+] ZINC000626934217 356557121 /nfs/dbraw/zinc/55/71/21/356557121.db2.gz CNASETBZVZTEMY-LBPRGKRZSA-N 2 2 288.392 -0.628 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000626934893 356557212 /nfs/dbraw/zinc/55/72/12/356557212.db2.gz QOVJUOQZVDFRKO-SDDRHHMPSA-N 2 2 270.377 -0.243 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)NCCOCCC[NH3+] ZINC000626969608 356560472 /nfs/dbraw/zinc/56/04/72/356560472.db2.gz ACZAWFQRBWHCLZ-LBPRGKRZSA-N 2 2 288.392 -0.628 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)NCCOCCC[NH3+] ZINC000626969608 356560475 /nfs/dbraw/zinc/56/04/75/356560475.db2.gz ACZAWFQRBWHCLZ-LBPRGKRZSA-N 2 2 288.392 -0.628 20 0 CBADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000626975149 356561473 /nfs/dbraw/zinc/56/14/73/356561473.db2.gz QPRXUEJIBIJCPF-RWMBFGLXSA-N 2 2 283.420 -0.328 20 0 CBADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000626975149 356561475 /nfs/dbraw/zinc/56/14/75/356561475.db2.gz QPRXUEJIBIJCPF-RWMBFGLXSA-N 2 2 283.420 -0.328 20 0 CBADLP C[NH2+]CCOCCNC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000626970642 356561597 /nfs/dbraw/zinc/56/15/97/356561597.db2.gz RMUJETYUWSIPEH-GFCCVEGCSA-N 2 2 288.392 -0.758 20 0 CBADLP C[NH2+]CCOCCNC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000626970642 356561600 /nfs/dbraw/zinc/56/16/00/356561600.db2.gz RMUJETYUWSIPEH-GFCCVEGCSA-N 2 2 288.392 -0.758 20 0 CBADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000626974092 356561912 /nfs/dbraw/zinc/56/19/12/356561912.db2.gz DBHXKNCKVBZAQL-SDDRHHMPSA-N 2 2 269.393 -0.718 20 0 CBADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000626974092 356561916 /nfs/dbraw/zinc/56/19/16/356561916.db2.gz DBHXKNCKVBZAQL-SDDRHHMPSA-N 2 2 269.393 -0.718 20 0 CBADLP CCN(CC[NH3+])C(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000626972621 356562105 /nfs/dbraw/zinc/56/21/05/356562105.db2.gz MDPRAQKVUBYAFR-GFCCVEGCSA-N 2 2 271.409 -0.388 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000627065764 356571587 /nfs/dbraw/zinc/57/15/87/356571587.db2.gz JZTWYPRQGIXVJY-RYUDHWBXSA-N 2 2 270.377 -0.242 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000627065764 356571590 /nfs/dbraw/zinc/57/15/90/356571590.db2.gz JZTWYPRQGIXVJY-RYUDHWBXSA-N 2 2 270.377 -0.242 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000627083025 356578447 /nfs/dbraw/zinc/57/84/47/356578447.db2.gz NKLOEWIRDXJURF-GHMZBOCLSA-N 2 2 256.350 -0.647 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000627083025 356578450 /nfs/dbraw/zinc/57/84/50/356578450.db2.gz NKLOEWIRDXJURF-GHMZBOCLSA-N 2 2 256.350 -0.647 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)NCC(F)(F)C[NH3+] ZINC000627084960 356578923 /nfs/dbraw/zinc/57/89/23/356578923.db2.gz QDQMSYSYYMGUEH-MRVPVSSYSA-N 2 2 266.292 -0.790 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)NCC(F)(F)C[NH3+] ZINC000627084960 356578926 /nfs/dbraw/zinc/57/89/26/356578926.db2.gz QDQMSYSYYMGUEH-MRVPVSSYSA-N 2 2 266.292 -0.790 20 0 CBADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000627086189 356578977 /nfs/dbraw/zinc/57/89/77/356578977.db2.gz JZGGUOOICAYXHH-IJLUTSLNSA-N 2 2 270.377 -0.386 20 0 CBADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000627086189 356578980 /nfs/dbraw/zinc/57/89/80/356578980.db2.gz JZGGUOOICAYXHH-IJLUTSLNSA-N 2 2 270.377 -0.386 20 0 CBADLP CC[NH2+][C@H](C)CNC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000627090270 356581566 /nfs/dbraw/zinc/58/15/66/356581566.db2.gz RGBMJCTYVQPQNR-MNOVXSKESA-N 2 2 258.366 -0.386 20 0 CBADLP CC[NH2+][C@H](C)CNC(=O)NC[C@H]1COCC[N@H+]1C ZINC000627090270 356581567 /nfs/dbraw/zinc/58/15/67/356581567.db2.gz RGBMJCTYVQPQNR-MNOVXSKESA-N 2 2 258.366 -0.386 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000627099470 356582744 /nfs/dbraw/zinc/58/27/44/356582744.db2.gz RRNIGTUDEZEMAD-BDAKNGLRSA-N 2 2 280.319 -0.401 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000627099470 356582746 /nfs/dbraw/zinc/58/27/46/356582746.db2.gz RRNIGTUDEZEMAD-BDAKNGLRSA-N 2 2 280.319 -0.401 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000627118876 356586984 /nfs/dbraw/zinc/58/69/84/356586984.db2.gz CWOZFMXULHJMJJ-NEPJUHHUSA-N 2 2 282.388 -0.242 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000627118876 356586992 /nfs/dbraw/zinc/58/69/92/356586992.db2.gz CWOZFMXULHJMJJ-NEPJUHHUSA-N 2 2 282.388 -0.242 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627127141 356587653 /nfs/dbraw/zinc/58/76/53/356587653.db2.gz TXLOBVRWRHECCP-RYUDHWBXSA-N 2 2 282.388 -0.099 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627127141 356587658 /nfs/dbraw/zinc/58/76/58/356587658.db2.gz TXLOBVRWRHECCP-RYUDHWBXSA-N 2 2 282.388 -0.099 20 0 CBADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000627240676 356609991 /nfs/dbraw/zinc/60/99/91/356609991.db2.gz VIDIJACAQACUQT-WDEREUQCSA-N 2 2 297.403 -0.672 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627250777 356614204 /nfs/dbraw/zinc/61/42/04/356614204.db2.gz FKXSMAZLFDAAAS-NWDGAFQWSA-N 2 2 270.377 -0.290 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)NC1(C[NH3+])CCOCC1 ZINC000627182519 356595082 /nfs/dbraw/zinc/59/50/82/356595082.db2.gz FUSJGZFIMOGUGA-NSHDSACASA-N 2 2 286.376 -0.876 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)NC1(C[NH3+])CCOCC1 ZINC000627182519 356595087 /nfs/dbraw/zinc/59/50/87/356595087.db2.gz FUSJGZFIMOGUGA-NSHDSACASA-N 2 2 286.376 -0.876 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000627182679 356595338 /nfs/dbraw/zinc/59/53/38/356595338.db2.gz JBEJYDHJERPQAQ-VXGBXAGGSA-N 2 2 286.376 -0.924 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000627182679 356595342 /nfs/dbraw/zinc/59/53/42/356595342.db2.gz JBEJYDHJERPQAQ-VXGBXAGGSA-N 2 2 286.376 -0.924 20 0 CBADLP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000627182659 356595359 /nfs/dbraw/zinc/59/53/59/356595359.db2.gz BNAYDCBYAZWBBS-QJPTWQEYSA-N 2 2 270.377 -0.291 20 0 CBADLP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000627182659 356595364 /nfs/dbraw/zinc/59/53/64/356595364.db2.gz BNAYDCBYAZWBBS-QJPTWQEYSA-N 2 2 270.377 -0.291 20 0 CBADLP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000627182666 356595478 /nfs/dbraw/zinc/59/54/78/356595478.db2.gz BNAYDCBYAZWBBS-TUAOUCFPSA-N 2 2 270.377 -0.291 20 0 CBADLP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NC[C@H]1COCC[N@H+]1C ZINC000627182666 356595481 /nfs/dbraw/zinc/59/54/81/356595481.db2.gz BNAYDCBYAZWBBS-TUAOUCFPSA-N 2 2 270.377 -0.291 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000627183240 356595958 /nfs/dbraw/zinc/59/59/58/356595958.db2.gz INFNBPSGUBPQFD-YPMHNXCESA-N 2 2 270.377 -0.303 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000627183240 356595964 /nfs/dbraw/zinc/59/59/64/356595964.db2.gz INFNBPSGUBPQFD-YPMHNXCESA-N 2 2 270.377 -0.303 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000627183205 356596105 /nfs/dbraw/zinc/59/61/05/356596105.db2.gz PBMGBVHJYBLUOW-AEGPPILISA-N 2 2 296.415 -0.042 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000627183205 356596110 /nfs/dbraw/zinc/59/61/10/356596110.db2.gz PBMGBVHJYBLUOW-AEGPPILISA-N 2 2 296.415 -0.042 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000627183446 356596519 /nfs/dbraw/zinc/59/65/19/356596519.db2.gz KGYPTZCIXXZALJ-OCCSQVGLSA-N 2 2 282.388 -0.288 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000627183446 356596523 /nfs/dbraw/zinc/59/65/23/356596523.db2.gz KGYPTZCIXXZALJ-OCCSQVGLSA-N 2 2 282.388 -0.288 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000627184546 356597095 /nfs/dbraw/zinc/59/70/95/356597095.db2.gz ZUANMJGWZWREQL-DGCLKSJQSA-N 2 2 288.367 -0.340 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000627184546 356597099 /nfs/dbraw/zinc/59/70/99/356597099.db2.gz ZUANMJGWZWREQL-DGCLKSJQSA-N 2 2 288.367 -0.340 20 0 CBADLP Cc1cn2c([nH+]1)CN(C(=O)NC[C@H]1COCC[NH2+]1)CC2 ZINC000627187662 356599905 /nfs/dbraw/zinc/59/99/05/356599905.db2.gz PPJGLWNZTLKJAI-NSHDSACASA-N 2 2 279.344 -0.295 20 0 CBADLP C[C@@H]1CC[C@H](NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])C[NH2+]1 ZINC000627208023 356605363 /nfs/dbraw/zinc/60/53/63/356605363.db2.gz VOSVOXPMYLJOAW-WOPDTQHZSA-N 3 2 269.393 -0.589 20 0 CBADLP C[C@@H]1CC[C@H](NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])C[NH2+]1 ZINC000627208023 356605364 /nfs/dbraw/zinc/60/53/64/356605364.db2.gz VOSVOXPMYLJOAW-WOPDTQHZSA-N 3 2 269.393 -0.589 20 0 CBADLP CCN(CC[NH3+])C(=O)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000627351883 356630817 /nfs/dbraw/zinc/63/08/17/356630817.db2.gz GFPAELDEMMMMPX-UHFFFAOYSA-N 2 2 293.371 -0.429 20 0 CBADLP CC(C)Cn1cc[nH+]c1CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627361412 356632457 /nfs/dbraw/zinc/63/24/57/356632457.db2.gz NQPZRGITOZAKRL-LLVKDONJSA-N 2 2 293.371 -0.367 20 0 CBADLP CC1(C)C[NH+](CC(=O)N2CC[C@@H]([N@@H+]3CC[C@@H](O)C3)C2)C1 ZINC000627267186 356617202 /nfs/dbraw/zinc/61/72/02/356617202.db2.gz KQZYZQQXOWAPDE-CHWSQXEVSA-N 2 2 281.400 -0.004 20 0 CBADLP CC1(C)C[NH+](CC(=O)N2CC[C@@H]([N@H+]3CC[C@@H](O)C3)C2)C1 ZINC000627267186 356617206 /nfs/dbraw/zinc/61/72/06/356617206.db2.gz KQZYZQQXOWAPDE-CHWSQXEVSA-N 2 2 281.400 -0.004 20 0 CBADLP O=C(NCCn1cc[nH+]c1)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627300149 356622504 /nfs/dbraw/zinc/62/25/04/356622504.db2.gz QPLXHOCCLYXEKK-NSHDSACASA-N 2 2 291.355 -0.600 20 0 CBADLP C[C@@H]1CC[C@@H](NC(=O)C(=O)NCCc2cn(C)c[nH+]2)C[NH2+]1 ZINC000627307633 356623482 /nfs/dbraw/zinc/62/34/82/356623482.db2.gz RXNARHUMPRPDIZ-GHMZBOCLSA-N 2 2 293.371 -0.665 20 0 CBADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000627390537 356638349 /nfs/dbraw/zinc/63/83/49/356638349.db2.gz OVUWFQAQOLEQIL-WDEREUQCSA-N 2 2 279.344 -0.744 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000627501806 356659086 /nfs/dbraw/zinc/65/90/86/356659086.db2.gz YXCUGZIOOAFVQW-WDEREUQCSA-N 2 2 268.361 -0.983 20 0 CBADLP Cc1c[nH]c(CN2CCN(CC[NH+](C)C)C(=O)C2)[nH+]1 ZINC000628323986 356694745 /nfs/dbraw/zinc/69/47/45/356694745.db2.gz YSFMKRONOOQOTH-UHFFFAOYSA-N 2 2 265.361 -0.076 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)NC2CC([NH+]3CCOCC3)C2)C1 ZINC000627933888 356680913 /nfs/dbraw/zinc/68/09/13/356680913.db2.gz HTPRRCSYRBNLPZ-RUXDESIVSA-N 2 2 297.399 -0.314 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)NC2CC([NH+]3CCOCC3)C2)C1 ZINC000627933888 356680915 /nfs/dbraw/zinc/68/09/15/356680915.db2.gz HTPRRCSYRBNLPZ-RUXDESIVSA-N 2 2 297.399 -0.314 20 0 CBADLP C[NH+]1CCN(c2ncc(C[NH+](CCO)CCO)cn2)CC1 ZINC000628369525 356695310 /nfs/dbraw/zinc/69/53/10/356695310.db2.gz GCGLZVYXPYNIPE-UHFFFAOYSA-N 2 2 295.387 -0.985 20 0 CBADLP C[N@H+](CC(=O)NC[C@H]1COCC[NH+]1C)[C@@H]1CCSC1 ZINC000628918854 356740277 /nfs/dbraw/zinc/74/02/77/356740277.db2.gz PUGRITIPIBJVRE-NEPJUHHUSA-N 2 2 287.429 -0.130 20 0 CBADLP C[N@@H+](CC(=O)NC[C@H]1COCC[NH+]1C)[C@@H]1CCSC1 ZINC000628918854 356740281 /nfs/dbraw/zinc/74/02/81/356740281.db2.gz PUGRITIPIBJVRE-NEPJUHHUSA-N 2 2 287.429 -0.130 20 0 CBADLP C[NH+](CC(=O)NC[C@H]1COCC[N@@H+]1C)[C@@H]1CCSC1 ZINC000628918854 356740285 /nfs/dbraw/zinc/74/02/85/356740285.db2.gz PUGRITIPIBJVRE-NEPJUHHUSA-N 2 2 287.429 -0.130 20 0 CBADLP C[NH+](CC(=O)NC[C@H]1COCC[N@H+]1C)[C@@H]1CCSC1 ZINC000628918854 356740287 /nfs/dbraw/zinc/74/02/87/356740287.db2.gz PUGRITIPIBJVRE-NEPJUHHUSA-N 2 2 287.429 -0.130 20 0 CBADLP C[C@@H](C(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C)[NH+](C)C ZINC000628576395 356713390 /nfs/dbraw/zinc/71/33/90/356713390.db2.gz DFPWMVXBLKPZNN-WFASDCNBSA-N 2 2 299.415 -0.332 20 0 CBADLP C[C@@H](C(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C)[NH+](C)C ZINC000628576395 356713393 /nfs/dbraw/zinc/71/33/93/356713393.db2.gz DFPWMVXBLKPZNN-WFASDCNBSA-N 2 2 299.415 -0.332 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2COCC[NH+]2C)C1 ZINC000628919813 356741763 /nfs/dbraw/zinc/74/17/63/356741763.db2.gz WBFPIQOCKSRMFK-RYUDHWBXSA-N 2 2 271.361 -0.846 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2COCC[NH+]2C)C1 ZINC000628919813 356741765 /nfs/dbraw/zinc/74/17/65/356741765.db2.gz WBFPIQOCKSRMFK-RYUDHWBXSA-N 2 2 271.361 -0.846 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)NC[C@H]2COCC[N@@H+]2C)C1 ZINC000628919813 356741767 /nfs/dbraw/zinc/74/17/67/356741767.db2.gz WBFPIQOCKSRMFK-RYUDHWBXSA-N 2 2 271.361 -0.846 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)NC[C@H]2COCC[N@H+]2C)C1 ZINC000628919813 356741769 /nfs/dbraw/zinc/74/17/69/356741769.db2.gz WBFPIQOCKSRMFK-RYUDHWBXSA-N 2 2 271.361 -0.846 20 0 CBADLP CN(C)S(=O)(=O)CC[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000629536830 356777454 /nfs/dbraw/zinc/77/74/54/356777454.db2.gz LHFPCIZWXQBYAF-VIFPVBQESA-N 2 2 251.396 -0.159 20 0 CBADLP C[C@@H](C[NH2+]C[C@@H](O)C[NH+]1CCCC1)CN1CC[NH+](C)CC1 ZINC000629559563 356779321 /nfs/dbraw/zinc/77/93/21/356779321.db2.gz BGMANNXDTFKKEB-JKSUJKDBSA-N 3 2 298.475 -0.084 20 0 CBADLP CNC(=O)NC[C@H]1C[N@H+](C[C@@H]2CC[NH2+]C2)CCO1 ZINC000629554735 356779988 /nfs/dbraw/zinc/77/99/88/356779988.db2.gz OTPUACXRMDTDOQ-MNOVXSKESA-N 2 2 256.350 -0.774 20 0 CBADLP CNC(=O)NC[C@H]1C[N@@H+](C[C@@H]2CC[NH2+]C2)CCO1 ZINC000629554735 356779991 /nfs/dbraw/zinc/77/99/91/356779991.db2.gz OTPUACXRMDTDOQ-MNOVXSKESA-N 2 2 256.350 -0.774 20 0 CBADLP CS(=O)(=O)CC1(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000629567060 356780485 /nfs/dbraw/zinc/78/04/85/356780485.db2.gz VAUNJWJZKGMLTA-GFCCVEGCSA-N 2 2 290.429 -0.143 20 0 CBADLP CC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)C(=O)N1CCOCC1 ZINC000629569605 356780536 /nfs/dbraw/zinc/78/05/36/356780536.db2.gz YBQLCOJENRNFAY-UONOGXRCSA-N 2 2 299.415 -0.330 20 0 CBADLP C[C@H]([C@@H]1CC[NH2+]C1)[NH+]1CCN(c2nccnn2)CC1 ZINC000629514039 356775572 /nfs/dbraw/zinc/77/55/72/356775572.db2.gz OXMTVLMMPGZZNE-VXGBXAGGSA-N 2 2 262.361 -0.008 20 0 CBADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@H]1COCCN1C ZINC000629532915 356776469 /nfs/dbraw/zinc/77/64/69/356776469.db2.gz YFRYNTNQVXWCFY-AGIUHOORSA-N 2 2 257.378 -0.326 20 0 CBADLP C[N@H+](C[C@H](O)C[NH2+]CCN1CC[C@H](O)C1)C1CC1 ZINC000629618011 356788233 /nfs/dbraw/zinc/78/82/33/356788233.db2.gz RWEAJSWVRXJDID-QWHCGFSZSA-N 2 2 257.378 -0.902 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH2+]CCN1CC[C@H](O)C1)C1CC1 ZINC000629618011 356788234 /nfs/dbraw/zinc/78/82/34/356788234.db2.gz RWEAJSWVRXJDID-QWHCGFSZSA-N 2 2 257.378 -0.902 20 0 CBADLP CCN(CC[NH3+])C(=O)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000629795465 356794190 /nfs/dbraw/zinc/79/41/90/356794190.db2.gz AHFGSNUMDISTJF-UHFFFAOYSA-N 2 2 293.371 -0.077 20 0 CBADLP CCN(CC[NH3+])C(=O)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000629795465 356794194 /nfs/dbraw/zinc/79/41/94/356794194.db2.gz AHFGSNUMDISTJF-UHFFFAOYSA-N 2 2 293.371 -0.077 20 0 CBADLP O=C(CCn1cc[nH+]c1)NCC[N@H+]1CC[C@H](O)C1 ZINC000629913002 356805943 /nfs/dbraw/zinc/80/59/43/356805943.db2.gz QYTSFZFHNIEIOY-NSHDSACASA-N 2 2 252.318 -0.544 20 0 CBADLP O=C(CCn1cc[nH+]c1)NCC[N@@H+]1CC[C@H](O)C1 ZINC000629913002 356805945 /nfs/dbraw/zinc/80/59/45/356805945.db2.gz QYTSFZFHNIEIOY-NSHDSACASA-N 2 2 252.318 -0.544 20 0 CBADLP CC(C)(C(=O)NCC[N@@H+]1CC[C@H](O)C1)c1c[nH]c[nH+]1 ZINC000629916985 356808252 /nfs/dbraw/zinc/80/82/52/356808252.db2.gz ZUEUTHHPYACSLL-JTQLQIEISA-N 2 2 266.345 -0.130 20 0 CBADLP CC(C)(C(=O)NCC[N@H+]1CC[C@H](O)C1)c1c[nH]c[nH+]1 ZINC000629916985 356808253 /nfs/dbraw/zinc/80/82/53/356808253.db2.gz ZUEUTHHPYACSLL-JTQLQIEISA-N 2 2 266.345 -0.130 20 0 CBADLP CC(C)(C(=O)NCC[N@@H+]1CC[C@H](O)C1)c1c[nH+]c[nH]1 ZINC000629916985 356808254 /nfs/dbraw/zinc/80/82/54/356808254.db2.gz ZUEUTHHPYACSLL-JTQLQIEISA-N 2 2 266.345 -0.130 20 0 CBADLP CC(C)(C(=O)NCC[N@H+]1CC[C@H](O)C1)c1c[nH+]c[nH]1 ZINC000629916985 356808255 /nfs/dbraw/zinc/80/82/55/356808255.db2.gz ZUEUTHHPYACSLL-JTQLQIEISA-N 2 2 266.345 -0.130 20 0 CBADLP CC1(C)C[NH+](CC(=O)NCC[N@@H+]2CC[C@H](O)C2)C1 ZINC000629916910 356808332 /nfs/dbraw/zinc/80/83/32/356808332.db2.gz FVVPASMWDPLVCY-NSHDSACASA-N 2 2 255.362 -0.489 20 0 CBADLP CC1(C)C[NH+](CC(=O)NCC[N@H+]2CC[C@H](O)C2)C1 ZINC000629916910 356808333 /nfs/dbraw/zinc/80/83/33/356808333.db2.gz FVVPASMWDPLVCY-NSHDSACASA-N 2 2 255.362 -0.489 20 0 CBADLP C[C@H](O)C[NH+]1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC000629958300 356812159 /nfs/dbraw/zinc/81/21/59/356812159.db2.gz LHJLECOEZPYGJK-LBPRGKRZSA-N 2 2 269.389 -0.004 20 0 CBADLP C[NH2+]C1(CNC(=O)C[N@H+](C)CC(=O)NC(C)C)CCC1 ZINC000629998603 356815143 /nfs/dbraw/zinc/81/51/43/356815143.db2.gz FENBEZPZGSAUJG-UHFFFAOYSA-N 2 2 284.404 -0.299 20 0 CBADLP C[NH2+]C1(CNC(=O)C[N@@H+](C)CC(=O)NC(C)C)CCC1 ZINC000629998603 356815146 /nfs/dbraw/zinc/81/51/46/356815146.db2.gz FENBEZPZGSAUJG-UHFFFAOYSA-N 2 2 284.404 -0.299 20 0 CBADLP C[N@H+](CCOCC[NH3+])CC(=O)Nc1nccs1 ZINC000629577416 356781671 /nfs/dbraw/zinc/78/16/71/356781671.db2.gz HRTRTDWCGXYYPW-UHFFFAOYSA-N 2 2 258.347 -0.011 20 0 CBADLP C[N@@H+](CCOCC[NH3+])CC(=O)Nc1nccs1 ZINC000629577416 356781675 /nfs/dbraw/zinc/78/16/75/356781675.db2.gz HRTRTDWCGXYYPW-UHFFFAOYSA-N 2 2 258.347 -0.011 20 0 CBADLP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)C1(S(C)(=O)=O)CC1 ZINC000629580461 356782282 /nfs/dbraw/zinc/78/22/82/356782282.db2.gz CLMKALIIHKAVSQ-RYUDHWBXSA-N 2 2 290.429 -0.002 20 0 CBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CC1([NH3+])CCC1 ZINC000629606150 356785783 /nfs/dbraw/zinc/78/57/83/356785783.db2.gz DFBNXNLUGOKMHB-LBPRGKRZSA-N 2 2 285.388 -0.591 20 0 CBADLP CC[C@@H]([NH2+]C)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000629607110 356786220 /nfs/dbraw/zinc/78/62/20/356786220.db2.gz PFBXAMSKLCDRDL-NWDGAFQWSA-N 2 2 273.377 -0.864 20 0 CBADLP C[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000629607801 356786871 /nfs/dbraw/zinc/78/68/71/356786871.db2.gz ZOVLMZNBXJTOJA-YNEHKIRRSA-N 2 2 285.388 -0.864 20 0 CBADLP C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC1=[NH+]CCCN1 ZINC000630387162 356841812 /nfs/dbraw/zinc/84/18/12/356841812.db2.gz IZVDNTSJAZWVEL-CQSZACIVSA-N 2 2 282.388 -0.459 20 0 CBADLP C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC1=[NH+]CCCN1 ZINC000630387162 356841815 /nfs/dbraw/zinc/84/18/15/356841815.db2.gz IZVDNTSJAZWVEL-CQSZACIVSA-N 2 2 282.388 -0.459 20 0 CBADLP c1c(CC[NH+]2CCOCC2)nnn1C[C@@H]1CCC[NH2+]1 ZINC000630604455 356854582 /nfs/dbraw/zinc/85/45/82/356854582.db2.gz ABYDJPPNEBKRRX-LBPRGKRZSA-N 2 2 265.361 -0.095 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCn1cc(CNC(N)=O)nn1 ZINC000630611871 356855048 /nfs/dbraw/zinc/85/50/48/356855048.db2.gz MIPOXRLYCAWPTH-UHFFFAOYSA-N 2 2 283.380 -0.670 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCn1cc(CNC(N)=O)nn1 ZINC000630611871 356855052 /nfs/dbraw/zinc/85/50/52/356855052.db2.gz MIPOXRLYCAWPTH-UHFFFAOYSA-N 2 2 283.380 -0.670 20 0 CBADLP C[NH+](C)C1(CS(=O)(=O)N[C@H]2CC[N@H+](C)C2)CC1 ZINC000631785297 356907397 /nfs/dbraw/zinc/90/73/97/356907397.db2.gz FTKIRQSJJBFSDP-JTQLQIEISA-N 2 2 261.391 -0.296 20 0 CBADLP C[C@H]([NH3+])[C@@H]1C[N@H+](C[C@@H]2CCc3ncnn32)CCO1 ZINC000631822965 356909744 /nfs/dbraw/zinc/90/97/44/356909744.db2.gz SPJVJUSRPNUUSH-DCAQKATOSA-N 2 2 251.334 -0.187 20 0 CBADLP C[C@H]([NH3+])[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)CCO1 ZINC000631822965 356909749 /nfs/dbraw/zinc/90/97/49/356909749.db2.gz SPJVJUSRPNUUSH-DCAQKATOSA-N 2 2 251.334 -0.187 20 0 CBADLP C[C@H]1C[C@H]([NH3+])C[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000631861602 356913561 /nfs/dbraw/zinc/91/35/61/356913561.db2.gz FLAOEPHWFPVLMB-RYUDHWBXSA-N 3 2 254.378 -0.428 20 0 CBADLP C[C@H]1C[C@H]([NH3+])C[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000631861602 356913562 /nfs/dbraw/zinc/91/35/62/356913562.db2.gz FLAOEPHWFPVLMB-RYUDHWBXSA-N 3 2 254.378 -0.428 20 0 CBADLP CN(C)S(=O)(=O)CC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631889613 356916558 /nfs/dbraw/zinc/91/65/58/356916558.db2.gz IEEZARHUAXIWQG-NEPJUHHUSA-N 2 2 275.418 -0.048 20 0 CBADLP CN(C)S(=O)(=O)CC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631889613 356916562 /nfs/dbraw/zinc/91/65/62/356916562.db2.gz IEEZARHUAXIWQG-NEPJUHHUSA-N 2 2 275.418 -0.048 20 0 CBADLP Cn1c(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cc(=O)n(C)c1=O ZINC000631888740 356916568 /nfs/dbraw/zinc/91/65/68/356916568.db2.gz ZYHJPHMBMDJBAG-DGCLKSJQSA-N 2 2 292.383 -0.342 20 0 CBADLP Cn1c(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cc(=O)n(C)c1=O ZINC000631888740 356916571 /nfs/dbraw/zinc/91/65/71/356916571.db2.gz ZYHJPHMBMDJBAG-DGCLKSJQSA-N 2 2 292.383 -0.342 20 0 CBADLP CN1CC[N@H+](C)C[C@@H]1CNS(=O)(=O)CCC[NH+](C)C ZINC000631943267 356930801 /nfs/dbraw/zinc/93/08/01/356930801.db2.gz RIWBJDIMXYKRSH-LBPRGKRZSA-N 2 2 292.449 -0.897 20 0 CBADLP CN1CC[N@@H+](C)C[C@@H]1CNS(=O)(=O)CCC[NH+](C)C ZINC000631943267 356930804 /nfs/dbraw/zinc/93/08/04/356930804.db2.gz RIWBJDIMXYKRSH-LBPRGKRZSA-N 2 2 292.449 -0.897 20 0 CBADLP C[NH+](C)CCCS(=O)(=O)NCC[NH+]1CCSCC1 ZINC000631952813 356932608 /nfs/dbraw/zinc/93/26/08/356932608.db2.gz UEDZRDSKLVVOKW-UHFFFAOYSA-N 2 2 295.474 -0.094 20 0 CBADLP CNS(=O)(=O)CCC[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000631709929 356902173 /nfs/dbraw/zinc/90/21/73/356902173.db2.gz MZKAILJFDWXGCD-PWSUYJOCSA-N 2 2 275.418 -0.002 20 0 CBADLP CNS(=O)(=O)CCC[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000631709929 356902177 /nfs/dbraw/zinc/90/21/77/356902177.db2.gz MZKAILJFDWXGCD-PWSUYJOCSA-N 2 2 275.418 -0.002 20 0 CBADLP C[C@@H]1CN(S(=O)(=O)CCC[NH+](C)C)CC[N@@H+]1CCO ZINC000632243480 356963874 /nfs/dbraw/zinc/96/38/74/356963874.db2.gz QKQYOLIIYFHXOM-GFCCVEGCSA-N 2 2 293.433 -0.734 20 0 CBADLP C[C@@H]1CN(S(=O)(=O)CCC[NH+](C)C)CC[N@H+]1CCO ZINC000632243480 356963877 /nfs/dbraw/zinc/96/38/77/356963877.db2.gz QKQYOLIIYFHXOM-GFCCVEGCSA-N 2 2 293.433 -0.734 20 0 CBADLP C[NH+](C)[C@H]1CN(S(=O)(=O)CC2([NH+](C)C)CC2)C[C@@H]1O ZINC000632350443 356975814 /nfs/dbraw/zinc/97/58/14/356975814.db2.gz MDRTYGMNBBUXKW-QWRGUYRKSA-N 2 2 291.417 -0.983 20 0 CBADLP C[NH+](C)C1(CNS(=O)(=O)C[C@H]2C[N@H+](C)CCO2)CC1 ZINC000632488796 356994618 /nfs/dbraw/zinc/99/46/18/356994618.db2.gz NDQUNUKHCBDJRN-LLVKDONJSA-N 2 2 291.417 -0.669 20 0 CBADLP C[NH+](C)C1(CNS(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000632488796 356994621 /nfs/dbraw/zinc/99/46/21/356994621.db2.gz NDQUNUKHCBDJRN-LLVKDONJSA-N 2 2 291.417 -0.669 20 0 CBADLP CN(CC[NH+](C)C)S(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000632061085 356948188 /nfs/dbraw/zinc/94/81/88/356948188.db2.gz GFYFCKBIFBHICS-NSHDSACASA-N 2 2 279.406 -0.860 20 0 CBADLP CN(CC[NH+](C)C)S(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000632061085 356948191 /nfs/dbraw/zinc/94/81/91/356948191.db2.gz GFYFCKBIFBHICS-NSHDSACASA-N 2 2 279.406 -0.860 20 0 CBADLP COc1cc[nH+]cc1NC(=O)C(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000633039406 357037955 /nfs/dbraw/zinc/03/79/55/357037955.db2.gz TUWMUFJLUJEMOF-BDAKNGLRSA-N 2 2 278.312 -0.023 20 0 CBADLP C[C@H]1CN(C(=O)C(=O)N(C)Cc2[nH]cc[nH+]2)[C@@H](C)C[NH2+]1 ZINC000633101148 357045676 /nfs/dbraw/zinc/04/56/76/357045676.db2.gz AJVMIZIXKDHZHG-UWVGGRQHSA-N 2 2 279.344 -0.423 20 0 CBADLP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000633103653 357046235 /nfs/dbraw/zinc/04/62/35/357046235.db2.gz UVMOTLGJPIZEBL-SNVBAGLBSA-N 2 2 279.344 -0.422 20 0 CBADLP C[C@@H]1CCCN(C(=O)C(=O)N(C)Cc2[nH]cc[nH+]2)[C@H]1C[NH3+] ZINC000633106533 357047344 /nfs/dbraw/zinc/04/73/44/357047344.db2.gz UNENTUVUZCKCJA-MNOVXSKESA-N 2 2 293.371 -0.046 20 0 CBADLP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N(C)Cc1[nH+]ccn1C ZINC000633114647 357048657 /nfs/dbraw/zinc/04/86/57/357048657.db2.gz DNZCXDFLIBFDRD-UWVGGRQHSA-N 2 2 279.344 -0.673 20 0 CBADLP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N(C)Cc1[nH+]ccn1C ZINC000633114650 357048803 /nfs/dbraw/zinc/04/88/03/357048803.db2.gz DNZCXDFLIBFDRD-ZJUUUORDSA-N 2 2 279.344 -0.673 20 0 CBADLP C[C@@H]1CN(C(=O)C(=O)N(C)Cc2[nH]cc[nH+]2)C[C@H]1C[NH3+] ZINC000633114242 357048981 /nfs/dbraw/zinc/04/89/81/357048981.db2.gz WFUVBIFBTVCXRV-NXEZZACHSA-N 2 2 279.344 -0.579 20 0 CBADLP CN(CC1C[NH+](C)C1)S(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000632554596 357001635 /nfs/dbraw/zinc/00/16/35/357001635.db2.gz CAXLOCNDBNDTCZ-GFCCVEGCSA-N 2 2 291.417 -0.860 20 0 CBADLP CN(CC1C[NH+](C)C1)S(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000632554596 357001636 /nfs/dbraw/zinc/00/16/36/357001636.db2.gz CAXLOCNDBNDTCZ-GFCCVEGCSA-N 2 2 291.417 -0.860 20 0 CBADLP C[NH+](C)C1(CS(=O)(=O)N2CC[N@H+](C)C[C@@H]2CO)CC1 ZINC000632576284 357004201 /nfs/dbraw/zinc/00/42/01/357004201.db2.gz MZNLLZFGJPLQOJ-LLVKDONJSA-N 2 2 291.417 -0.981 20 0 CBADLP C[NH+](C)C1(CS(=O)(=O)N2CC[N@@H+](C)C[C@@H]2CO)CC1 ZINC000632576284 357004202 /nfs/dbraw/zinc/00/42/02/357004202.db2.gz MZNLLZFGJPLQOJ-LLVKDONJSA-N 2 2 291.417 -0.981 20 0 CBADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)CC(N)=O)c2)CC1 ZINC000634195960 357109520 /nfs/dbraw/zinc/10/95/20/357109520.db2.gz LCUMMSCVUOIMNZ-UHFFFAOYSA-N 2 2 277.328 -0.353 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1CCCNC1=O ZINC000633617845 357076094 /nfs/dbraw/zinc/07/60/94/357076094.db2.gz NKBOSJYZGYIARH-GFCCVEGCSA-N 2 2 284.404 -0.488 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1CCCNC1=O ZINC000633617845 357076099 /nfs/dbraw/zinc/07/60/99/357076099.db2.gz NKBOSJYZGYIARH-GFCCVEGCSA-N 2 2 284.404 -0.488 20 0 CBADLP C[N@@H+]1CCN(c2cc(-n3cc[nH+]c3)ncn2)[C@@H](CO)C1 ZINC000634802035 357137583 /nfs/dbraw/zinc/13/75/83/357137583.db2.gz UTJVKEGDSWLHIZ-LLVKDONJSA-N 2 2 274.328 -0.225 20 0 CBADLP C[N@H+]1CCN(c2cc(-n3cc[nH+]c3)ncn2)[C@@H](CO)C1 ZINC000634802035 357137587 /nfs/dbraw/zinc/13/75/87/357137587.db2.gz UTJVKEGDSWLHIZ-LLVKDONJSA-N 2 2 274.328 -0.225 20 0 CBADLP c1nc(N2CCO[C@H]3C[NH2+]C[C@H]32)c2c([nH+]1)NCCO2 ZINC000634810867 357138113 /nfs/dbraw/zinc/13/81/13/357138113.db2.gz LBTQQRKUFVCKJL-BDAKNGLRSA-N 2 2 263.301 -0.542 20 0 CBADLP CN1CCN(c2cc(N[C@@H]3[C@H]4C[NH2+]C[C@H]43)[nH+]cn2)CC1=O ZINC000634810130 357138153 /nfs/dbraw/zinc/13/81/53/357138153.db2.gz MXGYOISFUQHQHC-MSRIBSCDSA-N 2 2 288.355 -0.615 20 0 CBADLP CN1CCN(c2cc(N[C@@H]3[C@H]4C[NH2+]C[C@H]43)nc[nH+]2)CC1=O ZINC000634810130 357138156 /nfs/dbraw/zinc/13/81/56/357138156.db2.gz MXGYOISFUQHQHC-MSRIBSCDSA-N 2 2 288.355 -0.615 20 0 CBADLP CC(C)[C@@H](C[NH3+])C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000634991134 357141544 /nfs/dbraw/zinc/14/15/44/357141544.db2.gz RAHFUUDBOHHCPU-LBPRGKRZSA-N 3 2 256.394 -0.419 20 0 CBADLP CC(C)[C@@H](C[NH3+])C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000634991134 357141546 /nfs/dbraw/zinc/14/15/46/357141546.db2.gz RAHFUUDBOHHCPU-LBPRGKRZSA-N 3 2 256.394 -0.419 20 0 CBADLP CS(=O)(=O)N1CC[C@@H]([NH2+]CC23CC(C2)C[NH2+]3)C1 ZINC000634996794 357142587 /nfs/dbraw/zinc/14/25/87/357142587.db2.gz VNPXINDQFHKPHP-HSOILSAZSA-N 2 2 259.375 -0.638 20 0 CBADLP CNS(=O)(=O)CCC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000635009344 357143485 /nfs/dbraw/zinc/14/34/85/357143485.db2.gz YAFQNJHEFYWBOA-NWDGAFQWSA-N 2 2 291.417 -0.718 20 0 CBADLP C[N@@H+]1CC[C@@H](CC(=O)NCC[NH+]2CCOCC2)C1 ZINC000635071866 357145245 /nfs/dbraw/zinc/14/52/45/357145245.db2.gz AZGYVVXQCUBQQV-LBPRGKRZSA-N 2 2 255.362 -0.223 20 0 CBADLP C[N@H+]1CC[C@@H](CC(=O)NCC[NH+]2CCOCC2)C1 ZINC000635071866 357145248 /nfs/dbraw/zinc/14/52/48/357145248.db2.gz AZGYVVXQCUBQQV-LBPRGKRZSA-N 2 2 255.362 -0.223 20 0 CBADLP C[C@H](C(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1)[NH+](C)C ZINC000635164831 357150671 /nfs/dbraw/zinc/15/06/71/357150671.db2.gz CPHKDGSNJTYIAT-VXGBXAGGSA-N 2 2 296.415 -0.252 20 0 CBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C1(C[NH+](C)C)CC1 ZINC000635659781 357190316 /nfs/dbraw/zinc/19/03/16/357190316.db2.gz SOZCHNMWLLQPGG-CYBMUJFWSA-N 2 2 299.415 -0.520 20 0 CBADLP C[C@H](C(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C)[NH+](C)C ZINC000635818041 357212602 /nfs/dbraw/zinc/21/26/02/357212602.db2.gz ACWPNCDPNMHYPO-SDDRHHMPSA-N 2 2 257.378 -0.150 20 0 CBADLP C[C@H](C(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C)[NH+](C)C ZINC000635818041 357212608 /nfs/dbraw/zinc/21/26/08/357212608.db2.gz ACWPNCDPNMHYPO-SDDRHHMPSA-N 2 2 257.378 -0.150 20 0 CBADLP C[C@H](C(=O)N1CC[N@H+](CCO)C(C)(C)C1)[NH+](C)C ZINC000635830736 357214128 /nfs/dbraw/zinc/21/41/28/357214128.db2.gz AVBAAZGEAYVRNF-LLVKDONJSA-N 2 2 257.378 -0.148 20 0 CBADLP C[C@H](C(=O)N1CC[N@@H+](CCO)C(C)(C)C1)[NH+](C)C ZINC000635830736 357214131 /nfs/dbraw/zinc/21/41/31/357214131.db2.gz AVBAAZGEAYVRNF-LLVKDONJSA-N 2 2 257.378 -0.148 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@@H](C(=O)N2CC[NH+](CCO)C(C)(C)C2)O1 ZINC000635831919 357214582 /nfs/dbraw/zinc/21/45/82/357214582.db2.gz OATSCJANFFHUEX-OLZOCXBDSA-N 2 2 299.415 -0.379 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@@H](C(=O)N2CC[NH+](CCO)C(C)(C)C2)O1 ZINC000635831919 357214585 /nfs/dbraw/zinc/21/45/85/357214585.db2.gz OATSCJANFFHUEX-OLZOCXBDSA-N 2 2 299.415 -0.379 20 0 CBADLP C[C@@H]1C[NH+](C)C[C@@H](C(=O)N2CC[N@H+](CCO)C(C)(C)C2)O1 ZINC000635831919 357214589 /nfs/dbraw/zinc/21/45/89/357214589.db2.gz OATSCJANFFHUEX-OLZOCXBDSA-N 2 2 299.415 -0.379 20 0 CBADLP C[C@@H]1C[NH+](C)C[C@@H](C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)O1 ZINC000635831919 357214591 /nfs/dbraw/zinc/21/45/91/357214591.db2.gz OATSCJANFFHUEX-OLZOCXBDSA-N 2 2 299.415 -0.379 20 0 CBADLP C[NH+](C)CC1(C(=O)N[C@@H](CO)C[NH+]2CCOCC2)CC1 ZINC000635893342 357225608 /nfs/dbraw/zinc/22/56/08/357225608.db2.gz QVIZIVBZQRMEST-GFCCVEGCSA-N 2 2 285.388 -0.863 20 0 CBADLP CCc1c[nH]c(CC(=O)N[C@@H](CO)C[NH+](C)C)[nH+]1 ZINC000635928789 357236025 /nfs/dbraw/zinc/23/60/25/357236025.db2.gz OGOQZMMSSNDDDN-SNVBAGLBSA-N 2 2 254.334 -0.447 20 0 CBADLP CC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000635575923 357179551 /nfs/dbraw/zinc/17/95/51/357179551.db2.gz UGTHVAOTQHWSPW-JHJVBQTASA-N 2 2 285.388 -0.458 20 0 CBADLP CC[N@H+]1CCO[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000635575923 357179554 /nfs/dbraw/zinc/17/95/54/357179554.db2.gz UGTHVAOTQHWSPW-JHJVBQTASA-N 2 2 285.388 -0.458 20 0 CBADLP CC[NH+]1CCO[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000635575923 357179559 /nfs/dbraw/zinc/17/95/59/357179559.db2.gz UGTHVAOTQHWSPW-JHJVBQTASA-N 2 2 285.388 -0.458 20 0 CBADLP CC[NH+]1CCO[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000635575923 357179564 /nfs/dbraw/zinc/17/95/64/357179564.db2.gz UGTHVAOTQHWSPW-JHJVBQTASA-N 2 2 285.388 -0.458 20 0 CBADLP C[C@H](C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)[NH+](C)C ZINC000635657969 357188985 /nfs/dbraw/zinc/18/89/85/357188985.db2.gz BRXPKQSRICDCPS-VXGBXAGGSA-N 2 2 273.377 -0.912 20 0 CBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000635658829 357189964 /nfs/dbraw/zinc/18/99/64/357189964.db2.gz JUHKJSWBSBCPDL-UONOGXRCSA-N 2 2 299.415 -0.520 20 0 CBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000635658829 357189968 /nfs/dbraw/zinc/18/99/68/357189968.db2.gz JUHKJSWBSBCPDL-UONOGXRCSA-N 2 2 299.415 -0.520 20 0 CBADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000636613278 357293154 /nfs/dbraw/zinc/29/31/54/357293154.db2.gz COIFESWIBPXJOY-UHFFFAOYSA-N 2 2 279.344 -0.422 20 0 CBADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000636613278 357293158 /nfs/dbraw/zinc/29/31/58/357293158.db2.gz COIFESWIBPXJOY-UHFFFAOYSA-N 2 2 279.344 -0.422 20 0 CBADLP C[NH+]1CCC(CNC(=O)NC[C@H]2COCC[N@@H+]2C)CC1 ZINC000636731838 357298928 /nfs/dbraw/zinc/29/89/28/357298928.db2.gz DBYZPGZYOKWERY-ZDUSSCGKSA-N 2 2 284.404 -0.042 20 0 CBADLP C[NH+]1CCC(CNC(=O)NC[C@H]2COCC[N@H+]2C)CC1 ZINC000636731838 357298931 /nfs/dbraw/zinc/29/89/31/357298931.db2.gz DBYZPGZYOKWERY-ZDUSSCGKSA-N 2 2 284.404 -0.042 20 0 CBADLP C[C@H](C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C)[NH+](C)C ZINC000636252699 357274773 /nfs/dbraw/zinc/27/47/73/357274773.db2.gz DFPWMVXBLKPZNN-IUODEOHRSA-N 2 2 299.415 -0.332 20 0 CBADLP C[C@H](C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C)[NH+](C)C ZINC000636252699 357274775 /nfs/dbraw/zinc/27/47/75/357274775.db2.gz DFPWMVXBLKPZNN-IUODEOHRSA-N 2 2 299.415 -0.332 20 0 CBADLP C[NH+](C)CC1(C(=O)NC[C@@H]2COCC[N@@H+]2C)CC1 ZINC000636279884 357276652 /nfs/dbraw/zinc/27/66/52/357276652.db2.gz ZWYGYMUFWAOBOG-LLVKDONJSA-N 2 2 255.362 -0.225 20 0 CBADLP C[NH+](C)CC1(C(=O)NC[C@@H]2COCC[N@H+]2C)CC1 ZINC000636279884 357276653 /nfs/dbraw/zinc/27/66/53/357276653.db2.gz ZWYGYMUFWAOBOG-LLVKDONJSA-N 2 2 255.362 -0.225 20 0 CBADLP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)Cc1c[nH+]cn1C ZINC000636316970 357280312 /nfs/dbraw/zinc/28/03/12/357280312.db2.gz DKXOMHLWHYPFKD-UHFFFAOYSA-N 2 2 293.371 -0.805 20 0 CBADLP CCc1c[nH]c(CC(=O)NCC(=O)N2CC[NH2+]CC2)[nH+]1 ZINC000637813063 357369861 /nfs/dbraw/zinc/36/98/61/357369861.db2.gz IXAZFKNPKBWYOG-UHFFFAOYSA-N 2 2 279.344 -0.937 20 0 CBADLP C[C@H](NC(=O)[C@H](C)N1CC[NH2+]CC1=O)[C@H]1CCC[NH2+]C1 ZINC000637819381 357370551 /nfs/dbraw/zinc/37/05/51/357370551.db2.gz IOGLBRSLMGIPHQ-SRVKXCTJSA-N 2 2 282.388 -0.689 20 0 CBADLP CCC[NH+]1CCN(Cc2c[nH+]c(N)nc2N)CC1 ZINC000637830074 357372565 /nfs/dbraw/zinc/37/25/65/357372565.db2.gz QIXKVPJONYBDFY-UHFFFAOYSA-N 2 2 250.350 -0.171 20 0 CBADLP C[C@H]([NH3+])C1CCN(C(=O)[C@H](C)N2CC[NH2+]CC2=O)CC1 ZINC000637827901 357372913 /nfs/dbraw/zinc/37/29/13/357372913.db2.gz BUDGRQNJJSUHOM-QWRGUYRKSA-N 2 2 282.388 -0.608 20 0 CBADLP C[NH2+]C1CCN(C(=O)[C@@H](C)N2CC[NH2+]CC2=O)CC1 ZINC000637837289 357373767 /nfs/dbraw/zinc/37/37/67/357373767.db2.gz CWEDIHUGZCKKEN-SNVBAGLBSA-N 2 2 268.361 -0.983 20 0 CBADLP CCOC1CC(C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])C1 ZINC000637863422 357378197 /nfs/dbraw/zinc/37/81/97/357378197.db2.gz BSGBBHDSVAPDQW-CXQJBGSLSA-N 2 2 255.362 -0.097 20 0 CBADLP CCOC1CC(C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])C1 ZINC000637863422 357378199 /nfs/dbraw/zinc/37/81/99/357378199.db2.gz BSGBBHDSVAPDQW-CXQJBGSLSA-N 2 2 255.362 -0.097 20 0 CBADLP C[C@@H](C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1)N1CC[NH2+]CC1=O ZINC000637842119 357375066 /nfs/dbraw/zinc/37/50/66/357375066.db2.gz XIMVUNSBZOWHBG-AXFHLTTASA-N 2 2 268.361 -0.985 20 0 CBADLP C[C@@H](C[NH+](C)C)NC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000637144349 357325780 /nfs/dbraw/zinc/32/57/80/357325780.db2.gz CLPAPZLIYNANGV-QWRGUYRKSA-N 2 2 258.366 -0.434 20 0 CBADLP C[C@@H](C[NH+](C)C)NC(=O)NC[C@H]1COCC[N@H+]1C ZINC000637144349 357325782 /nfs/dbraw/zinc/32/57/82/357325782.db2.gz CLPAPZLIYNANGV-QWRGUYRKSA-N 2 2 258.366 -0.434 20 0 CBADLP CC(C)C[C@](C)(C[NH3+])NC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000637847800 357376161 /nfs/dbraw/zinc/37/61/61/357376161.db2.gz DHYUKQQSFGDHFZ-SMDDNHRTSA-N 2 2 284.404 -0.314 20 0 CBADLP C[C@H](CCNC(=O)NC[C@@H]1COCC[N@@H+]1C)[NH+](C)C ZINC000637440597 357347718 /nfs/dbraw/zinc/34/77/18/357347718.db2.gz NXLDKCLTIUYIRC-VXGBXAGGSA-N 2 2 272.393 -0.044 20 0 CBADLP C[C@H](CCNC(=O)NC[C@@H]1COCC[N@H+]1C)[NH+](C)C ZINC000637440597 357347720 /nfs/dbraw/zinc/34/77/20/357347720.db2.gz NXLDKCLTIUYIRC-VXGBXAGGSA-N 2 2 272.393 -0.044 20 0 CBADLP CCC([NH3+])(CC)CNC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000637859125 357378379 /nfs/dbraw/zinc/37/83/79/357378379.db2.gz SPYAOIOUNZLSFB-JTQLQIEISA-N 2 2 270.377 -0.560 20 0 CBADLP CN(CCC[NH+](C)C)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000637442700 357350425 /nfs/dbraw/zinc/35/04/25/357350425.db2.gz IEFYBCLDIYOMHY-LBPRGKRZSA-N 2 2 272.393 -0.090 20 0 CBADLP CN(CCC[NH+](C)C)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000637442700 357350428 /nfs/dbraw/zinc/35/04/28/357350428.db2.gz IEFYBCLDIYOMHY-LBPRGKRZSA-N 2 2 272.393 -0.090 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CCC[NH+](C)CC1 ZINC000637444507 357351273 /nfs/dbraw/zinc/35/12/73/357351273.db2.gz AJDFCIPXXGRDFI-LBPRGKRZSA-N 2 2 270.377 -0.336 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N1CCC[NH+](C)CC1 ZINC000637444507 357351277 /nfs/dbraw/zinc/35/12/77/357351277.db2.gz AJDFCIPXXGRDFI-LBPRGKRZSA-N 2 2 270.377 -0.336 20 0 CBADLP C[NH+]1CCOC[C@@H]1CNC(=O)N1CCC[N@H+](C)CC1 ZINC000637444507 357351283 /nfs/dbraw/zinc/35/12/83/357351283.db2.gz AJDFCIPXXGRDFI-LBPRGKRZSA-N 2 2 270.377 -0.336 20 0 CBADLP C[NH+]1CCOC[C@@H]1CNC(=O)N1CCC[N@@H+](C)CC1 ZINC000637444507 357351286 /nfs/dbraw/zinc/35/12/86/357351286.db2.gz AJDFCIPXXGRDFI-LBPRGKRZSA-N 2 2 270.377 -0.336 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)NCCNc1cc[nH+]cc1 ZINC000637448617 357352351 /nfs/dbraw/zinc/35/23/51/357352351.db2.gz WFMHWXJPJJKVBX-CYBMUJFWSA-N 2 2 293.371 -0.455 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)NCCNc1cc[nH+]cc1 ZINC000637448617 357352354 /nfs/dbraw/zinc/35/23/54/357352354.db2.gz WFMHWXJPJJKVBX-CYBMUJFWSA-N 2 2 293.371 -0.455 20 0 CBADLP C[C@H](C(=O)N[C@H]1CCCC[C@@H]1C[NH3+])N1CC[NH2+]CC1=O ZINC000637853793 357377340 /nfs/dbraw/zinc/37/73/40/357377340.db2.gz YPVOXZGCDZTKGP-UTUOFQBUSA-N 2 2 282.388 -0.560 20 0 CBADLP CC(C)[C@](C)(C[NH3+])NC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000637850974 357377492 /nfs/dbraw/zinc/37/74/92/357377492.db2.gz MMXLHGXOHRNRBB-MFKMUULPSA-N 2 2 270.377 -0.704 20 0 CBADLP CCc1c[nH]c(CC(=O)N(C)CC(=O)N2CC[NH2+]CC2)[nH+]1 ZINC000637809590 357367640 /nfs/dbraw/zinc/36/76/40/357367640.db2.gz BEDSGKWVLYLJFR-UHFFFAOYSA-N 2 2 293.371 -0.595 20 0 CBADLP C[C@H](C(=O)N1CCC[C@]2(CC[NH2+]C2)C1)N1CC[NH2+]CC1=O ZINC000638236445 357441375 /nfs/dbraw/zinc/44/13/75/357441375.db2.gz YFBXFHMDRHYGLN-IUODEOHRSA-N 2 2 294.399 -0.591 20 0 CBADLP Nc1nc(N)c(CN2CC[C@H]([NH+]3CCCC3)C2)c[nH+]1 ZINC000637995117 357397235 /nfs/dbraw/zinc/39/72/35/357397235.db2.gz SHIXKVPUZDFTNK-NSHDSACASA-N 2 2 262.361 -0.028 20 0 CBADLP C[C@@H](C(=O)NCCCn1cc[nH+]c1)N1CC[NH2+]CC1=O ZINC000638047448 357404966 /nfs/dbraw/zinc/40/49/66/357404966.db2.gz IFRLEDHYVHMYJV-NSHDSACASA-N 2 2 279.344 -0.790 20 0 CBADLP C[C@H](C(=O)NCCC[NH+]1CCCC1)N1CC[NH2+]CC1=O ZINC000638052781 357405971 /nfs/dbraw/zinc/40/59/71/357405971.db2.gz AKNGGIPFSVGFKJ-GFCCVEGCSA-N 2 2 282.388 -0.591 20 0 CBADLP CC(C)C[NH+]1CCN(C(=O)[C@@H](C)N2CC[NH2+]CC2=O)CC1 ZINC000638052278 357406056 /nfs/dbraw/zinc/40/60/56/357406056.db2.gz ZFEICWJGKRRRDL-CYBMUJFWSA-N 2 2 296.415 -0.393 20 0 CBADLP CCC[NH+]1CCC(NC(=O)[C@H](C)N2CC[NH2+]CC2=O)CC1 ZINC000638055967 357406139 /nfs/dbraw/zinc/40/61/39/357406139.db2.gz KROKLVNBPOQYNU-LBPRGKRZSA-N 2 2 296.415 -0.203 20 0 CBADLP CC[NH2+][C@H](C)C(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000638055753 357406225 /nfs/dbraw/zinc/40/62/25/357406225.db2.gz ISOVSMNPCNUDQD-NEPJUHHUSA-N 2 2 296.415 -0.204 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@]2(C)C[C@@H](OC)C[NH2+]2)CC1 ZINC000638055139 357406516 /nfs/dbraw/zinc/40/65/16/357406516.db2.gz GKCCEYFUFOONFI-OCCSQVGLSA-N 2 2 285.388 -0.456 20 0 CBADLP CC[NH+](CC)[C@H]1CCN(C(=O)[C@H](C)N2CC[NH2+]CC2=O)C1 ZINC000638059908 357406996 /nfs/dbraw/zinc/40/69/96/357406996.db2.gz PQBFVJMNGRUMEU-STQMWFEESA-N 2 2 296.415 -0.251 20 0 CBADLP CC[NH+]1CCC(N(C)C(=O)[C@H](C)N2CC[NH2+]CC2=O)CC1 ZINC000638060933 357407086 /nfs/dbraw/zinc/40/70/86/357407086.db2.gz VIHARHHFORYJAZ-LBPRGKRZSA-N 2 2 296.415 -0.251 20 0 CBADLP CCOCC[NH+]1CCN(C(=O)[C@]2(C[NH3+])CCCOC2)CC1 ZINC000638057988 357407175 /nfs/dbraw/zinc/40/71/75/357407175.db2.gz FSENWZMSYURBMX-HNNXBMFYSA-N 2 2 299.415 -0.077 20 0 CBADLP CCOCC[NH+]1CCN(C(=O)[C@@]2(C[NH3+])CCCOC2)CC1 ZINC000638057989 357407386 /nfs/dbraw/zinc/40/73/86/357407386.db2.gz FSENWZMSYURBMX-OAHLLOKOSA-N 2 2 299.415 -0.077 20 0 CBADLP C[C@@H](C(=O)N1CCC(C[NH+](C)C)CC1)N1CC[NH2+]CC1=O ZINC000638065992 357408558 /nfs/dbraw/zinc/40/85/58/357408558.db2.gz CZADORGQHVSWIP-LBPRGKRZSA-N 2 2 296.415 -0.393 20 0 CBADLP C[C@@H](C(=O)N[C@H]1CC12CC[NH2+]CC2)N1CC[NH2+]CC1=O ZINC000638243874 357442209 /nfs/dbraw/zinc/44/22/09/357442209.db2.gz DVXNAHYISFYVGT-QWRGUYRKSA-N 2 2 280.372 -0.935 20 0 CBADLP C[C@H](C[NH+]1CCCCC1)NC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638069326 357409441 /nfs/dbraw/zinc/40/94/41/357409441.db2.gz JDJXVGRLEWWRGJ-OLZOCXBDSA-N 2 2 296.415 -0.203 20 0 CBADLP C[C@H](C(=O)N1CC[NH+](CC2CC2)CC1)N1CC[NH2+]CC1=O ZINC000638072401 357411256 /nfs/dbraw/zinc/41/12/56/357411256.db2.gz RLJLUZDMGGBYTM-GFCCVEGCSA-N 2 2 294.399 -0.639 20 0 CBADLP CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C)N2CC[NH2+]CC2=O)C1 ZINC000638078208 357412459 /nfs/dbraw/zinc/41/24/59/357412459.db2.gz FMPFRBVEOLPWJN-OLZOCXBDSA-N 2 2 296.415 -0.347 20 0 CBADLP CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@@H](C)N2CC[NH2+]CC2=O)C1 ZINC000638078208 357412462 /nfs/dbraw/zinc/41/24/62/357412462.db2.gz FMPFRBVEOLPWJN-OLZOCXBDSA-N 2 2 296.415 -0.347 20 0 CBADLP C[C@H](C(=O)N[C@H]1CC[N@@H+](C2CC2)C1)N1CC[NH2+]CC1=O ZINC000638081196 357412549 /nfs/dbraw/zinc/41/25/49/357412549.db2.gz IDFAELORVPELRC-MNOVXSKESA-N 2 2 280.372 -0.840 20 0 CBADLP C[C@H](C(=O)N[C@H]1CC[N@H+](C2CC2)C1)N1CC[NH2+]CC1=O ZINC000638081196 357412553 /nfs/dbraw/zinc/41/25/53/357412553.db2.gz IDFAELORVPELRC-MNOVXSKESA-N 2 2 280.372 -0.840 20 0 CBADLP C[C@@H](CC[NH+](C)C)NC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638085889 357413082 /nfs/dbraw/zinc/41/30/82/357413082.db2.gz UYQOJCFWOLWCNM-QWRGUYRKSA-N 2 2 270.377 -0.737 20 0 CBADLP C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1c[nH+]c(N)nc1N ZINC000638082533 357413624 /nfs/dbraw/zinc/41/36/24/357413624.db2.gz DQATZTKCWUBFFO-ONGXEEELSA-N 2 2 262.361 -0.030 20 0 CBADLP C[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1c[nH+]c(N)nc1N ZINC000638082533 357413626 /nfs/dbraw/zinc/41/36/26/357413626.db2.gz DQATZTKCWUBFFO-ONGXEEELSA-N 2 2 262.361 -0.030 20 0 CBADLP C[C@@H](C(=O)N1CC[C@H]([NH+]2CCCC2)C1)N1CC[NH2+]CC1=O ZINC000638093545 357416190 /nfs/dbraw/zinc/41/61/90/357416190.db2.gz FFDBINFRRDGSTL-STQMWFEESA-N 2 2 294.399 -0.497 20 0 CBADLP C[C@H](C(=O)N1CCC[C@@H]([NH+](C)C)C1)N1CC[NH2+]CC1=O ZINC000638095629 357416200 /nfs/dbraw/zinc/41/62/00/357416200.db2.gz AABIKDDAAYDQMJ-VXGBXAGGSA-N 2 2 282.388 -0.641 20 0 CBADLP CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000638100184 357417349 /nfs/dbraw/zinc/41/73/49/357417349.db2.gz KOCISHCYQAMZRZ-XFMPKHEZSA-N 2 2 299.415 -0.021 20 0 CBADLP C[C@@H](NC(=O)c1cnc(C[NH3+])nc1)[C@@H](C)[NH+]1CCOCC1 ZINC000638100762 357417377 /nfs/dbraw/zinc/41/73/77/357417377.db2.gz NRTCXGPUCHIQGH-GHMZBOCLSA-N 2 2 293.371 -0.226 20 0 CBADLP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCc2[nH+]ccn2C)C1 ZINC000638104388 357418462 /nfs/dbraw/zinc/41/84/62/357418462.db2.gz ZCMWRVJNCHYOCX-JOYOIKCWSA-N 2 2 252.318 -0.197 20 0 CBADLP CO[C@H]1C[NH2+][C@@](C)(C(=O)NCc2[nH+]ccn2C)C1 ZINC000638104386 357418661 /nfs/dbraw/zinc/41/86/61/357418661.db2.gz ZCMWRVJNCHYOCX-BXKDBHETSA-N 2 2 252.318 -0.197 20 0 CBADLP C[C@@H](C(=O)N1CC[NH+](C2CCC2)CC1)N1CC[NH2+]CC1=O ZINC000638118327 357420506 /nfs/dbraw/zinc/42/05/06/357420506.db2.gz XOONZFOHNKRRMH-LBPRGKRZSA-N 2 2 294.399 -0.497 20 0 CBADLP C[C@H](NC(=O)[C@H](C)N1CC[NH2+]CC1=O)C(C)(C)C[NH+](C)C ZINC000638121374 357422282 /nfs/dbraw/zinc/42/22/82/357422282.db2.gz FLXYPMQNNFNKTL-RYUDHWBXSA-N 2 2 298.431 -0.101 20 0 CBADLP C[C@H](C(=O)N1CCC2(CC[NH2+]C2)CC1)N1CC[NH2+]CC1=O ZINC000638245520 357442860 /nfs/dbraw/zinc/44/28/60/357442860.db2.gz DEVGTOZITHEIET-GFCCVEGCSA-N 2 2 294.399 -0.591 20 0 CBADLP C[C@@H](C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)N1CC[NH2+]CC1=O ZINC000638138792 357425047 /nfs/dbraw/zinc/42/50/47/357425047.db2.gz NNRSACZRPUHSBJ-CMPLNLGQSA-N 2 2 280.372 -0.840 20 0 CBADLP C[NH2+]CCC1CCN(C(=O)[C@H](C)N2CC[NH2+]CC2=O)CC1 ZINC000638151705 357426174 /nfs/dbraw/zinc/42/61/74/357426174.db2.gz LOIWZIYZMHUEJK-LBPRGKRZSA-N 2 2 296.415 -0.345 20 0 CBADLP COC[C@@]1(C(=O)N2CC[NH+](C)CC2)CCCC[NH2+]1 ZINC000638149022 357426276 /nfs/dbraw/zinc/42/62/76/357426276.db2.gz DFHZGBFRZLTGNQ-CYBMUJFWSA-N 2 2 255.362 -0.081 20 0 CBADLP C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@H](C)N2CC[NH2+]CC2=O)C1 ZINC000638153644 357427391 /nfs/dbraw/zinc/42/73/91/357427391.db2.gz FABKCCCDVVFDMV-DCAQKATOSA-N 2 2 268.361 -0.998 20 0 CBADLP CC(C)[C@H]1CN(C(=O)[C@@H](C)N2CC[NH2+]CC2=O)CC[NH2+]1 ZINC000638196574 357433106 /nfs/dbraw/zinc/43/31/06/357433106.db2.gz DBNNXSJNDMNRLS-VXGBXAGGSA-N 2 2 282.388 -0.737 20 0 CBADLP C[C@H](C(=O)N[C@H]1CCC[C@H]([NH3+])C1)N1CC[NH2+]CC1=O ZINC000638198224 357434377 /nfs/dbraw/zinc/43/43/77/357434377.db2.gz TWSZLJXFOOIOKT-VWYCJHECSA-N 2 2 268.361 -0.807 20 0 CBADLP CC[C@@H]1CN(C(=O)[C@@H](C)N2CC[NH2+]CC2=O)CC[C@H]1[NH3+] ZINC000638206877 357435473 /nfs/dbraw/zinc/43/54/73/357435473.db2.gz LULSPEMWKDQTNR-IJLUTSLNSA-N 2 2 282.388 -0.608 20 0 CBADLP C[C@H](C(=O)N1CC[C@](C)(C[NH3+])C1)N1CC[NH2+]CC1=O ZINC000638218553 357436298 /nfs/dbraw/zinc/43/62/98/357436298.db2.gz DAQPONXUEJGNHC-ZWNOBZJWSA-N 2 2 268.361 -0.996 20 0 CBADLP C[C@@H](C(=O)NC(C)(C)CCC[NH3+])N1CC[NH2+]CC1=O ZINC000638250469 357444074 /nfs/dbraw/zinc/44/40/74/357444074.db2.gz IDVACJQLCQAMQL-JTQLQIEISA-N 2 2 270.377 -0.560 20 0 CBADLP Cn1cnc2cncc(C(=O)N3CC[N@H+](C)C[C@H]3C[NH3+])c21 ZINC000637864321 357379356 /nfs/dbraw/zinc/37/93/56/357379356.db2.gz PPROVHRCZQWNPP-SNVBAGLBSA-N 2 2 288.355 -0.317 20 0 CBADLP Cn1cnc2cncc(C(=O)N3CC[N@@H+](C)C[C@H]3C[NH3+])c21 ZINC000637864321 357379359 /nfs/dbraw/zinc/37/93/59/357379359.db2.gz PPROVHRCZQWNPP-SNVBAGLBSA-N 2 2 288.355 -0.317 20 0 CBADLP C[C@H](CNCc1c[nH+]c(N)nc1N)[N@H+](C)C1CC1 ZINC000638575277 357496419 /nfs/dbraw/zinc/49/64/19/357496419.db2.gz ODLNIWQTGHHRLK-MRVPVSSYSA-N 2 2 250.350 -0.126 20 0 CBADLP C[C@H](CNCc1c[nH+]c(N)nc1N)[N@@H+](C)C1CC1 ZINC000638575277 357496422 /nfs/dbraw/zinc/49/64/22/357496422.db2.gz ODLNIWQTGHHRLK-MRVPVSSYSA-N 2 2 250.350 -0.126 20 0 CBADLP C[NH2+]CCOCCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000638577309 357497432 /nfs/dbraw/zinc/49/74/32/357497432.db2.gz WZNBIICNKXBWHT-NSHDSACASA-N 2 2 266.345 -0.202 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000638609219 357501618 /nfs/dbraw/zinc/50/16/18/357501618.db2.gz FPRLSLWKLWAKSX-ZJUUUORDSA-N 2 2 277.315 -0.322 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000638609219 357501620 /nfs/dbraw/zinc/50/16/20/357501620.db2.gz FPRLSLWKLWAKSX-ZJUUUORDSA-N 2 2 277.315 -0.322 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000638608884 357501656 /nfs/dbraw/zinc/50/16/56/357501656.db2.gz CWHMHJMHLRWCEA-GMXVVIOVSA-N 2 2 253.346 -0.567 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000638608884 357501659 /nfs/dbraw/zinc/50/16/59/357501659.db2.gz CWHMHJMHLRWCEA-GMXVVIOVSA-N 2 2 253.346 -0.567 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000638608881 357501708 /nfs/dbraw/zinc/50/17/08/357501708.db2.gz CWHMHJMHLRWCEA-DMDPSCGWSA-N 2 2 253.346 -0.567 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000638608881 357501710 /nfs/dbraw/zinc/50/17/10/357501710.db2.gz CWHMHJMHLRWCEA-DMDPSCGWSA-N 2 2 253.346 -0.567 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000638610920 357501988 /nfs/dbraw/zinc/50/19/88/357501988.db2.gz LZNVNLYYXGXFHY-AAEUAGOBSA-N 2 2 255.362 -0.177 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000638610920 357501992 /nfs/dbraw/zinc/50/19/92/357501992.db2.gz LZNVNLYYXGXFHY-AAEUAGOBSA-N 2 2 255.362 -0.177 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000638610886 357502894 /nfs/dbraw/zinc/50/28/94/357502894.db2.gz LRVFTGIQZFRNQV-NEPJUHHUSA-N 2 2 255.362 -0.177 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000638610886 357502897 /nfs/dbraw/zinc/50/28/97/357502897.db2.gz LRVFTGIQZFRNQV-NEPJUHHUSA-N 2 2 255.362 -0.177 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000638612348 357504275 /nfs/dbraw/zinc/50/42/75/357504275.db2.gz UWOUYPTZBVUMES-OBJOEFQTSA-N 2 2 267.373 -0.177 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000638612348 357504278 /nfs/dbraw/zinc/50/42/78/357504278.db2.gz UWOUYPTZBVUMES-OBJOEFQTSA-N 2 2 267.373 -0.177 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000638612652 357505372 /nfs/dbraw/zinc/50/53/72/357505372.db2.gz WPFLZPMLXCFRHK-RYUDHWBXSA-N 2 2 267.373 -0.177 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000638612652 357505375 /nfs/dbraw/zinc/50/53/75/357505375.db2.gz WPFLZPMLXCFRHK-RYUDHWBXSA-N 2 2 267.373 -0.177 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000638612653 357505561 /nfs/dbraw/zinc/50/55/61/357505561.db2.gz WPFLZPMLXCFRHK-VXGBXAGGSA-N 2 2 267.373 -0.177 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000638612653 357505565 /nfs/dbraw/zinc/50/55/65/357505565.db2.gz WPFLZPMLXCFRHK-VXGBXAGGSA-N 2 2 267.373 -0.177 20 0 CBADLP C[C@H](C(=O)NC(C)(C)CCC[NH3+])N1CC[NH2+]CC1=O ZINC000638250470 357444582 /nfs/dbraw/zinc/44/45/82/357444582.db2.gz IDVACJQLCQAMQL-SNVBAGLBSA-N 2 2 270.377 -0.560 20 0 CBADLP C[C@@H](C(=O)NCCC[C@H]1CCC[NH2+]1)N1CC[NH2+]CC1=O ZINC000638261736 357444667 /nfs/dbraw/zinc/44/46/67/357444667.db2.gz JEBCAFXGXNHPPG-NWDGAFQWSA-N 2 2 282.388 -0.545 20 0 CBADLP C[C@@H](C(=O)N[C@H](CC[NH3+])C(F)(F)F)N1CC[NH2+]CC1=O ZINC000638266992 357446370 /nfs/dbraw/zinc/44/63/70/357446370.db2.gz KXQGOIQYKTWHKC-JGVFFNPUSA-N 2 2 296.293 -0.797 20 0 CBADLP C[C@H](C(=O)N[C@H]1CC[NH2+]C1(C)C)N1CC[NH2+]CC1=O ZINC000638270060 357446850 /nfs/dbraw/zinc/44/68/50/357446850.db2.gz FDUFEZNSPFBRTD-ZJUUUORDSA-N 2 2 268.361 -0.937 20 0 CBADLP C[C@@H](C(=O)N(C)Cc1[nH+]ccn1C)N1CC[NH2+]CC1=O ZINC000638271924 357446885 /nfs/dbraw/zinc/44/68/85/357446885.db2.gz VJTWKUYADWQTAH-JTQLQIEISA-N 2 2 279.344 -0.801 20 0 CBADLP CC(C)[NH+]1CCC(NC(=O)[C@@H](C)N2CC[NH2+]CC2=O)CC1 ZINC000638270093 357446911 /nfs/dbraw/zinc/44/69/11/357446911.db2.gz AJVZCZXEFRRNON-GFCCVEGCSA-N 2 2 296.415 -0.204 20 0 CBADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)C2=CC[C@H]([NH3+])C2)CC1 ZINC000638276103 357448334 /nfs/dbraw/zinc/44/83/34/357448334.db2.gz XMELYQYQYXFCKG-ZDUSSCGKSA-N 2 2 294.399 -0.296 20 0 CBADLP CCNC(=O)C[N@H+]1CCCN(C(=O)C2=CC[C@H]([NH3+])C2)CC1 ZINC000638276103 357448339 /nfs/dbraw/zinc/44/83/39/357448339.db2.gz XMELYQYQYXFCKG-ZDUSSCGKSA-N 2 2 294.399 -0.296 20 0 CBADLP C[C@@H](C(=O)N1CCCC[C@@H]1C[NH+](C)C)N1CC[NH2+]CC1=O ZINC000638277990 357449874 /nfs/dbraw/zinc/44/98/74/357449874.db2.gz XXNHDJFNNFHORH-QWHCGFSZSA-N 2 2 296.415 -0.251 20 0 CBADLP C[C@@H](C(=O)N1CCC[C@H]([NH+](C)C)CC1)N1CC[NH2+]CC1=O ZINC000638283744 357451589 /nfs/dbraw/zinc/45/15/89/357451589.db2.gz AZIGQUUULAMAHI-STQMWFEESA-N 2 2 296.415 -0.251 20 0 CBADLP C[C@H](C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21)N1CC[NH2+]CC1=O ZINC000638313109 357455146 /nfs/dbraw/zinc/45/51/46/357455146.db2.gz PJCZBSKQJXOQPY-JHJVBQTASA-N 2 2 294.399 -0.641 20 0 CBADLP C[C@H](C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21)N1CC[NH2+]CC1=O ZINC000638313109 357455150 /nfs/dbraw/zinc/45/51/50/357455150.db2.gz PJCZBSKQJXOQPY-JHJVBQTASA-N 2 2 294.399 -0.641 20 0 CBADLP C[C@@H](C(=O)N(C)[C@H](C[NH3+])C1CC1)N1CC[NH2+]CC1=O ZINC000638331250 357457817 /nfs/dbraw/zinc/45/78/17/357457817.db2.gz FNSPGWZLCGFSNQ-GXSJLCMTSA-N 2 2 268.361 -0.998 20 0 CBADLP CCc1c[nH]c(CC(=O)NC[C@H]2C[NH2+]CCO2)[nH+]1 ZINC000638338553 357460424 /nfs/dbraw/zinc/46/04/24/357460424.db2.gz YPBPNCAKVXRQKS-SNVBAGLBSA-N 2 2 252.318 -0.381 20 0 CBADLP C[C@@H](C(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C)N1CC[NH2+]CC1=O ZINC000638357296 357462523 /nfs/dbraw/zinc/46/25/23/357462523.db2.gz ONRKOQYOJZKUKI-VOAKCMCISA-N 2 2 296.415 -0.362 20 0 CBADLP C[C@@H](C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1)N1CC[NH2+]CC1=O ZINC000638366591 357462907 /nfs/dbraw/zinc/46/29/07/357462907.db2.gz PBALAJDAROFJJI-RYUDHWBXSA-N 2 2 294.399 -0.402 20 0 CBADLP C[C@H](C(=O)N(C)CC1CC[NH+](C)CC1)N1CC[NH2+]CC1=O ZINC000638376070 357463948 /nfs/dbraw/zinc/46/39/48/357463948.db2.gz HKALISOFXSEVIR-GFCCVEGCSA-N 2 2 296.415 -0.393 20 0 CBADLP COCCOCC[NH+]1CCN(C(=O)C2=CC[C@H]([NH3+])C2)CC1 ZINC000638395245 357467018 /nfs/dbraw/zinc/46/70/18/357467018.db2.gz ANGWAYUEMZGGGL-AWEZNQCLSA-N 2 2 297.399 -0.159 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@]2(C)C[NH2+]CCO2)[C@@H](C)CO1 ZINC000638407740 357469106 /nfs/dbraw/zinc/46/91/06/357469106.db2.gz WMIGDQIBMMUOKZ-OUCADQQQSA-N 2 2 285.388 -0.410 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@]2(C)C[NH2+]CCO2)[C@@H](C)CO1 ZINC000638407740 357469108 /nfs/dbraw/zinc/46/91/08/357469108.db2.gz WMIGDQIBMMUOKZ-OUCADQQQSA-N 2 2 285.388 -0.410 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@]2(C)C[NH2+]CCO2)[C@H](C)CO1 ZINC000638407738 357469252 /nfs/dbraw/zinc/46/92/52/357469252.db2.gz WMIGDQIBMMUOKZ-BZPMIXESSA-N 2 2 285.388 -0.410 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@]2(C)C[NH2+]CCO2)[C@H](C)CO1 ZINC000638407738 357469256 /nfs/dbraw/zinc/46/92/56/357469256.db2.gz WMIGDQIBMMUOKZ-BZPMIXESSA-N 2 2 285.388 -0.410 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@]2(C[NH3+])CCCOC2)[C@@H](C)CO1 ZINC000638410293 357470811 /nfs/dbraw/zinc/47/08/11/357470811.db2.gz YMRKYSWNNWRWRG-GUTXKFCHSA-N 2 2 299.415 -0.033 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@]2(C[NH3+])CCCOC2)[C@@H](C)CO1 ZINC000638410293 357470815 /nfs/dbraw/zinc/47/08/15/357470815.db2.gz YMRKYSWNNWRWRG-GUTXKFCHSA-N 2 2 299.415 -0.033 20 0 CBADLP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000638414012 357471479 /nfs/dbraw/zinc/47/14/79/357471479.db2.gz KUQXOEJGZILYHY-IPYPFGDCSA-N 2 2 297.399 -0.314 20 0 CBADLP [NH3+][C@@H]1CC=C(C(=O)NC[C@H]2CN3CC[N@@H+]2CCC3)C1 ZINC000638427226 357473924 /nfs/dbraw/zinc/47/39/24/357473924.db2.gz VFWQMAIGGJDWOD-OLZOCXBDSA-N 2 2 264.373 -0.460 20 0 CBADLP [NH3+][C@@H]1CC=C(C(=O)NC[C@H]2CN3CC[N@H+]2CCC3)C1 ZINC000638427226 357473927 /nfs/dbraw/zinc/47/39/27/357473927.db2.gz VFWQMAIGGJDWOD-OLZOCXBDSA-N 2 2 264.373 -0.460 20 0 CBADLP CO[C@@H](C[NH2+]CC(=O)N1CC[NH+](C)CC1)C1CCOCC1 ZINC000638439587 357477398 /nfs/dbraw/zinc/47/73/98/357477398.db2.gz HQJNJVXFFYXEIZ-AWEZNQCLSA-N 2 2 299.415 -0.208 20 0 CBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@]1(C)CCC[NH2+]1 ZINC000638445392 357478433 /nfs/dbraw/zinc/47/84/33/357478433.db2.gz FZKIDVPTFUJIFG-JSGCOSHPSA-N 2 2 285.388 -0.720 20 0 CBADLP C[C@@H]1CC[NH2+][C@@H](C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000638444874 357478495 /nfs/dbraw/zinc/47/84/95/357478495.db2.gz BTBYOCNRROANRW-MGPQQGTHSA-N 2 2 299.415 -0.474 20 0 CBADLP C[C@@H]1CC[NH2+][C@H](C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C1 ZINC000638444875 357478634 /nfs/dbraw/zinc/47/86/34/357478634.db2.gz BTBYOCNRROANRW-RDBSUJKOSA-N 2 2 299.415 -0.474 20 0 CBADLP CC[C@]1(C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)CCC[NH2+]1 ZINC000638446874 357480013 /nfs/dbraw/zinc/48/00/13/357480013.db2.gz VCLUXDYGLJVIDC-UKRRQHHQSA-N 2 2 299.415 -0.330 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638507609 357491183 /nfs/dbraw/zinc/49/11/83/357491183.db2.gz IGBNCEDZJYNOIM-LBPRGKRZSA-N 2 2 296.415 -0.156 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638507609 357491189 /nfs/dbraw/zinc/49/11/89/357491189.db2.gz IGBNCEDZJYNOIM-LBPRGKRZSA-N 2 2 296.415 -0.156 20 0 CBADLP C[C@H](C(=O)N[C@H]1CC[NH2+]C12CCC2)N1CC[NH2+]CC1=O ZINC000638512654 357491859 /nfs/dbraw/zinc/49/18/59/357491859.db2.gz JUTCKWZCMILHCB-MNOVXSKESA-N 2 2 280.372 -0.793 20 0 CBADLP Cn1c[nH+]cc1CC[NH+]1CCN(C(=O)CO)CC1 ZINC000639547376 357578113 /nfs/dbraw/zinc/57/81/13/357578113.db2.gz KLLWUYQQBWGWHD-UHFFFAOYSA-N 2 2 252.318 -0.901 20 0 CBADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCCNC(=O)C1 ZINC000639350070 357568973 /nfs/dbraw/zinc/56/89/73/357568973.db2.gz UARWASPVVMURAD-RYUDHWBXSA-N 2 2 282.388 -0.416 20 0 CBADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCCNC(=O)C1 ZINC000639350070 357568979 /nfs/dbraw/zinc/56/89/79/357568979.db2.gz UARWASPVVMURAD-RYUDHWBXSA-N 2 2 282.388 -0.416 20 0 CBADLP CCn1ncnc1C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000639349515 357569141 /nfs/dbraw/zinc/56/91/41/357569141.db2.gz NDQAUQVANFCLBU-NSHDSACASA-N 2 2 280.376 -0.273 20 0 CBADLP CCn1ncnc1C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000639349515 357569146 /nfs/dbraw/zinc/56/91/46/357569146.db2.gz NDQAUQVANFCLBU-NSHDSACASA-N 2 2 280.376 -0.273 20 0 CBADLP C[NH+](C)CC(=O)N1CC[NH+](C[C@@H]2CCc3ncnn32)CC1 ZINC000639450586 357572845 /nfs/dbraw/zinc/57/28/45/357572845.db2.gz SLKYOUQJFXFKNA-LBPRGKRZSA-N 2 2 292.387 -0.529 20 0 CBADLP C[C@H](C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1)N1CC[NH2+]CC1=O ZINC000638639806 357515029 /nfs/dbraw/zinc/51/50/29/357515029.db2.gz NRSUZTLDVLAHMC-GMTAPVOTSA-N 2 2 268.361 -0.937 20 0 CBADLP [NH3+]CCCOCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000638662234 357517288 /nfs/dbraw/zinc/51/72/88/357517288.db2.gz PRXPQUWHPXWGMR-LLVKDONJSA-N 2 2 266.345 -0.073 20 0 CBADLP C[C@@H]1C[C@H]([NH2+]Cc2cnc(N)nc2N)CC[N@@H+]1C ZINC000638707129 357523069 /nfs/dbraw/zinc/52/30/69/357523069.db2.gz IOAPWTPIQGNAGJ-PSASIEDQSA-N 2 2 250.350 -0.126 20 0 CBADLP C[C@@H]1C[C@H]([NH2+]Cc2cnc(N)nc2N)CC[N@H+]1C ZINC000638707129 357523071 /nfs/dbraw/zinc/52/30/71/357523071.db2.gz IOAPWTPIQGNAGJ-PSASIEDQSA-N 2 2 250.350 -0.126 20 0 CBADLP [NH3+]CC(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000638732649 357526461 /nfs/dbraw/zinc/52/64/61/357526461.db2.gz YFPWQCWXRQMCDZ-GFCCVEGCSA-N 2 2 264.329 -0.643 20 0 CBADLP [NH3+]CC(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000638732649 357526464 /nfs/dbraw/zinc/52/64/64/357526464.db2.gz YFPWQCWXRQMCDZ-GFCCVEGCSA-N 2 2 264.329 -0.643 20 0 CBADLP C[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000638732334 357526531 /nfs/dbraw/zinc/52/65/31/357526531.db2.gz VTNURPJQOMFMRH-AAEUAGOBSA-N 2 2 278.356 -0.254 20 0 CBADLP C[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000638732334 357526533 /nfs/dbraw/zinc/52/65/33/357526533.db2.gz VTNURPJQOMFMRH-AAEUAGOBSA-N 2 2 278.356 -0.254 20 0 CBADLP COC[C@]1(C)CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CCO1 ZINC000638797359 357531380 /nfs/dbraw/zinc/53/13/80/357531380.db2.gz QCJQFHMSXJPYGZ-AAEUAGOBSA-N 2 2 273.377 -0.471 20 0 CBADLP [NH3+][C@H]1CCCCCN(C(=O)CN2CC[NH2+]CC2=O)C1 ZINC000638824729 357533987 /nfs/dbraw/zinc/53/39/87/357533987.db2.gz VGQILEPHKGERPY-NSHDSACASA-N 2 2 268.361 -0.852 20 0 CBADLP C[C@@H](C(=O)N(C)[C@@H]1C[NH+]2CCC1CC2)N1CC[NH2+]CC1=O ZINC000638854942 357538814 /nfs/dbraw/zinc/53/88/14/357538814.db2.gz WZBNCPMKGSTPGB-WCQYABFASA-N 2 2 294.399 -0.641 20 0 CBADLP C[C@H](C(=O)N(C)[C@@H]1C[NH+]2CCC1CC2)N1CC[NH2+]CC1=O ZINC000638854939 357539058 /nfs/dbraw/zinc/53/90/58/357539058.db2.gz WZBNCPMKGSTPGB-DGCLKSJQSA-N 2 2 294.399 -0.641 20 0 CBADLP C[N@@H+]1CC[C@@H]2CCN(Cc3c[nH+]c(N)nc3N)[C@@H]2C1 ZINC000638917943 357543681 /nfs/dbraw/zinc/54/36/81/357543681.db2.gz KFNCXVWJCJPUDM-MWLCHTKSSA-N 2 2 262.361 -0.172 20 0 CBADLP C[N@H+]1CC[C@@H]2CCN(Cc3c[nH+]c(N)nc3N)[C@@H]2C1 ZINC000638917943 357543685 /nfs/dbraw/zinc/54/36/85/357543685.db2.gz KFNCXVWJCJPUDM-MWLCHTKSSA-N 2 2 262.361 -0.172 20 0 CBADLP O=C([C@H]1CC[NH2+]1)N1CC[NH+](CCc2cnccn2)CC1 ZINC000639005623 357551407 /nfs/dbraw/zinc/55/14/07/357551407.db2.gz YJMIEJMYZUJYMV-CYBMUJFWSA-N 2 2 275.356 -0.475 20 0 CBADLP C[C@H](C(=O)N1CCC[C@@H]2C[NH2+]CC[C@@H]21)N1CC[NH2+]CC1=O ZINC000639019133 357552943 /nfs/dbraw/zinc/55/29/43/357552943.db2.gz CNISKGWDAVEOQZ-UPJWGTAASA-N 2 2 294.399 -0.593 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000639031728 357554937 /nfs/dbraw/zinc/55/49/37/357554937.db2.gz VDAVDKBKBJDPEK-HAQNSBGRSA-N 2 2 284.404 -0.171 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000639031728 357554940 /nfs/dbraw/zinc/55/49/40/357554940.db2.gz VDAVDKBKBJDPEK-HAQNSBGRSA-N 2 2 284.404 -0.171 20 0 CBADLP Cn1ncnc1C[NH2+]CC(=O)NCC[NH+]1CCCCCC1 ZINC000639207609 357561433 /nfs/dbraw/zinc/56/14/33/357561433.db2.gz ZPEQUMCUSVTYST-UHFFFAOYSA-N 2 2 294.403 -0.103 20 0 CBADLP CC[N@H+]1CC[C@H]2OCCN(Cc3c[nH+]c(N)nc3N)[C@H]2C1 ZINC000639205439 357561711 /nfs/dbraw/zinc/56/17/11/357561711.db2.gz JGLLWAALYQPGSL-NWDGAFQWSA-N 2 2 292.387 -0.403 20 0 CBADLP C[NH+]1CCC2(CC1)CN(Cc1c[nH+]c(N)nc1N)CCO2 ZINC000639286445 357564792 /nfs/dbraw/zinc/56/47/92/357564792.db2.gz PTAKEBFJIVGFIF-UHFFFAOYSA-N 2 2 292.387 -0.402 20 0 CBADLP C[NH+]1CCC2(CC1)C[N@H+](Cc1cnc(N)nc1N)CCO2 ZINC000639286445 357564795 /nfs/dbraw/zinc/56/47/95/357564795.db2.gz PTAKEBFJIVGFIF-UHFFFAOYSA-N 2 2 292.387 -0.402 20 0 CBADLP C[NH+]1CCC2(CC1)C[N@@H+](Cc1cnc(N)nc1N)CCO2 ZINC000639286445 357564799 /nfs/dbraw/zinc/56/47/99/357564799.db2.gz PTAKEBFJIVGFIF-UHFFFAOYSA-N 2 2 292.387 -0.402 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](OC)C[C@]1(C)CO ZINC000640001888 357627006 /nfs/dbraw/zinc/62/70/06/357627006.db2.gz FFARMSGKVFLZLH-MELADBBJSA-N 2 2 290.404 -0.603 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](OC)C[C@]1(C)CO ZINC000640001888 357627011 /nfs/dbraw/zinc/62/70/11/357627011.db2.gz FFARMSGKVFLZLH-MELADBBJSA-N 2 2 290.404 -0.603 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](OC)C[C@]1(C)CO ZINC000640001888 357627016 /nfs/dbraw/zinc/62/70/16/357627016.db2.gz FFARMSGKVFLZLH-MELADBBJSA-N 2 2 290.404 -0.603 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](OC)C[C@]1(C)CO ZINC000640001888 357627022 /nfs/dbraw/zinc/62/70/22/357627022.db2.gz FFARMSGKVFLZLH-MELADBBJSA-N 2 2 290.404 -0.603 20 0 CBADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000639668510 357583254 /nfs/dbraw/zinc/58/32/54/357583254.db2.gz JAKANEYJINWLCT-RYUDHWBXSA-N 2 2 264.329 -0.448 20 0 CBADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000639668510 357583260 /nfs/dbraw/zinc/58/32/60/357583260.db2.gz JAKANEYJINWLCT-RYUDHWBXSA-N 2 2 264.329 -0.448 20 0 CBADLP C[NH+](C)C[C@@]1(O)CCC[N@H+](CCC(=O)N2CCOCC2)C1 ZINC000639763404 357596126 /nfs/dbraw/zinc/59/61/26/357596126.db2.gz RKFJLSQEJXWFGJ-HNNXBMFYSA-N 2 2 299.415 -0.376 20 0 CBADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CCC(=O)N2CCOCC2)C1 ZINC000639763404 357596128 /nfs/dbraw/zinc/59/61/28/357596128.db2.gz RKFJLSQEJXWFGJ-HNNXBMFYSA-N 2 2 299.415 -0.376 20 0 CBADLP Cn1cc(CC[N@@H+]2CCC[C@](O)(C[NH+](C)C)C2)nn1 ZINC000639761280 357596164 /nfs/dbraw/zinc/59/61/64/357596164.db2.gz FWWPIZKHIAIWQL-ZDUSSCGKSA-N 2 2 267.377 -0.254 20 0 CBADLP Cn1cc(CC[N@H+]2CCC[C@](O)(C[NH+](C)C)C2)nn1 ZINC000639761280 357596170 /nfs/dbraw/zinc/59/61/70/357596170.db2.gz FWWPIZKHIAIWQL-ZDUSSCGKSA-N 2 2 267.377 -0.254 20 0 CBADLP C[C@@H](C(=O)N(C)C)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639763954 357596524 /nfs/dbraw/zinc/59/65/24/357596524.db2.gz FBKOHAJOHHHLLY-WCQYABFASA-N 2 2 257.378 -0.148 20 0 CBADLP C[C@@H](C(=O)N(C)C)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639763954 357596526 /nfs/dbraw/zinc/59/65/26/357596526.db2.gz FBKOHAJOHHHLLY-WCQYABFASA-N 2 2 257.378 -0.148 20 0 CBADLP CC(=O)[C@@](C)(O)C[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639765980 357597143 /nfs/dbraw/zinc/59/71/43/357597143.db2.gz LAPLEOYWQBMLJT-STQMWFEESA-N 2 2 258.362 -0.285 20 0 CBADLP CC(=O)[C@@](C)(O)C[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639765980 357597148 /nfs/dbraw/zinc/59/71/48/357597148.db2.gz LAPLEOYWQBMLJT-STQMWFEESA-N 2 2 258.362 -0.285 20 0 CBADLP CN1CCC[C@@H]([N@@H+]2CCC[C@@](O)(C[NH+](C)C)C2)C1=O ZINC000639769623 357597682 /nfs/dbraw/zinc/59/76/82/357597682.db2.gz ZLHKIEDZQNYRSG-TZMCWYRMSA-N 2 2 269.389 -0.004 20 0 CBADLP CN1CCC[C@@H]([N@H+]2CCC[C@@](O)(C[NH+](C)C)C2)C1=O ZINC000639769623 357597684 /nfs/dbraw/zinc/59/76/84/357597684.db2.gz ZLHKIEDZQNYRSG-TZMCWYRMSA-N 2 2 269.389 -0.004 20 0 CBADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000639843022 357602770 /nfs/dbraw/zinc/60/27/70/357602770.db2.gz CMBICLQYUZDGPD-UPJWGTAASA-N 2 2 296.415 -0.232 20 0 CBADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000639843022 357602775 /nfs/dbraw/zinc/60/27/75/357602775.db2.gz CMBICLQYUZDGPD-UPJWGTAASA-N 2 2 296.415 -0.232 20 0 CBADLP CC(C)[NH+]1CCCC[C@@H]1C[N@@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000639843022 357602778 /nfs/dbraw/zinc/60/27/78/357602778.db2.gz CMBICLQYUZDGPD-UPJWGTAASA-N 2 2 296.415 -0.232 20 0 CBADLP CC(C)[NH+]1CCCC[C@@H]1C[N@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000639843022 357602783 /nfs/dbraw/zinc/60/27/83/357602783.db2.gz CMBICLQYUZDGPD-UPJWGTAASA-N 2 2 296.415 -0.232 20 0 CBADLP CC(C)[N@@H+]1CCCC[C@H]1C[NH+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000639843021 357602959 /nfs/dbraw/zinc/60/29/59/357602959.db2.gz CMBICLQYUZDGPD-RWMBFGLXSA-N 2 2 296.415 -0.232 20 0 CBADLP CC(C)[N@H+]1CCCC[C@H]1C[NH+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000639843021 357602964 /nfs/dbraw/zinc/60/29/64/357602964.db2.gz CMBICLQYUZDGPD-RWMBFGLXSA-N 2 2 296.415 -0.232 20 0 CBADLP CC(C)[NH+]1CCCC[C@H]1C[N@@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000639843021 357602965 /nfs/dbraw/zinc/60/29/65/357602965.db2.gz CMBICLQYUZDGPD-RWMBFGLXSA-N 2 2 296.415 -0.232 20 0 CBADLP CC(C)[NH+]1CCCC[C@H]1C[N@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000639843021 357602967 /nfs/dbraw/zinc/60/29/67/357602967.db2.gz CMBICLQYUZDGPD-RWMBFGLXSA-N 2 2 296.415 -0.232 20 0 CBADLP C[C@@]12C[NH+](CCn3cc[nH+]c3)C[C@@]1(C)C(=O)NC2=O ZINC000639944013 357620285 /nfs/dbraw/zinc/62/02/85/357620285.db2.gz AUAHUGLDYNWVND-STQMWFEESA-N 2 2 262.313 -0.132 20 0 CBADLP CCOCC[C@@H](O)C[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640050956 357631765 /nfs/dbraw/zinc/63/17/65/357631765.db2.gz AOBXQRFZLFJZDY-CYBMUJFWSA-N 2 2 287.404 -0.520 20 0 CBADLP CCOCC[C@@H](O)C[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640050956 357631767 /nfs/dbraw/zinc/63/17/67/357631767.db2.gz AOBXQRFZLFJZDY-CYBMUJFWSA-N 2 2 287.404 -0.520 20 0 CBADLP C[C@H]1CN(CC[N@H+](C)CC(=O)N2CC[NH+](C)CC2)CCO1 ZINC000640051551 357632242 /nfs/dbraw/zinc/63/22/42/357632242.db2.gz QLNYXMJGBFACLF-AWEZNQCLSA-N 2 2 298.431 -0.587 20 0 CBADLP C[C@H]1CN(CC[N@@H+](C)CC(=O)N2CC[NH+](C)CC2)CCO1 ZINC000640051551 357632244 /nfs/dbraw/zinc/63/22/44/357632244.db2.gz QLNYXMJGBFACLF-AWEZNQCLSA-N 2 2 298.431 -0.587 20 0 CBADLP CN1CCC[C@H]([N@H+](C)CC(=O)N2CC[NH+](C)CC2)C1=O ZINC000640051285 357632748 /nfs/dbraw/zinc/63/27/48/357632748.db2.gz MPASQGIABYPDRP-LBPRGKRZSA-N 2 2 282.388 -0.687 20 0 CBADLP CN1CCC[C@H]([N@@H+](C)CC(=O)N2CC[NH+](C)CC2)C1=O ZINC000640051285 357632754 /nfs/dbraw/zinc/63/27/54/357632754.db2.gz MPASQGIABYPDRP-LBPRGKRZSA-N 2 2 282.388 -0.687 20 0 CBADLP Cc1nn(C)cc1C[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640051161 357633294 /nfs/dbraw/zinc/63/32/94/357633294.db2.gz JTPNAYYVYMAABD-UHFFFAOYSA-N 2 2 279.388 -0.066 20 0 CBADLP Cc1nn(C)cc1C[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640051161 357633295 /nfs/dbraw/zinc/63/32/95/357633295.db2.gz JTPNAYYVYMAABD-UHFFFAOYSA-N 2 2 279.388 -0.066 20 0 CBADLP Cn1cc(CC[N@H+](C)CC(=O)N2CC[NH+](C)CC2)nn1 ZINC000640065235 357633562 /nfs/dbraw/zinc/63/35/62/357633562.db2.gz XMLCPLACPBNWHJ-UHFFFAOYSA-N 2 2 280.376 -0.937 20 0 CBADLP Cn1cc(CC[N@@H+](C)CC(=O)N2CC[NH+](C)CC2)nn1 ZINC000640065235 357633568 /nfs/dbraw/zinc/63/35/68/357633568.db2.gz XMLCPLACPBNWHJ-UHFFFAOYSA-N 2 2 280.376 -0.937 20 0 CBADLP C[C@@H](C[NH+](C)C)NS(=O)(=O)CCn1cc[nH+]c1 ZINC000641495240 357713298 /nfs/dbraw/zinc/71/32/98/357713298.db2.gz GKNGOAXBOZFTRZ-JTQLQIEISA-N 2 2 260.363 -0.247 20 0 CBADLP CC[N@H+](C)C[C@@H](O)Cn1cc(CC[NH+]2CCOCC2)nn1 ZINC000641221473 357681678 /nfs/dbraw/zinc/68/16/78/357681678.db2.gz HDXRFNHYFXEINC-CQSZACIVSA-N 2 2 297.403 -0.535 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)Cn1cc(CC[NH+]2CCOCC2)nn1 ZINC000641221473 357681684 /nfs/dbraw/zinc/68/16/84/357681684.db2.gz HDXRFNHYFXEINC-CQSZACIVSA-N 2 2 297.403 -0.535 20 0 CBADLP Cc1cc(N2CC3(C2)CC(=O)NCC[NH2+]3)nc(C)[nH+]1 ZINC000641681298 357736261 /nfs/dbraw/zinc/73/62/61/357736261.db2.gz LNEXSJOOMMNOPC-UHFFFAOYSA-N 2 2 261.329 -0.238 20 0 CBADLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](CCN2C(=O)CNC2=O)[C@H]1C ZINC000641804059 357743775 /nfs/dbraw/zinc/74/37/75/357743775.db2.gz AGBVMNASGVRPTB-VWYCJHECSA-N 2 2 268.361 -0.014 20 0 CBADLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](CCN2C(=O)CNC2=O)[C@H]1C ZINC000641804059 357743778 /nfs/dbraw/zinc/74/37/78/357743778.db2.gz AGBVMNASGVRPTB-VWYCJHECSA-N 2 2 268.361 -0.014 20 0 CBADLP C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)NC2C[NH2+]C2)C1 ZINC000642788833 357763597 /nfs/dbraw/zinc/76/35/97/357763597.db2.gz DOVZNNUQEULDBA-CYBMUJFWSA-N 2 2 288.351 -0.623 20 0 CBADLP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)NC2C[NH2+]C2)C1 ZINC000642788833 357763602 /nfs/dbraw/zinc/76/36/02/357763602.db2.gz DOVZNNUQEULDBA-CYBMUJFWSA-N 2 2 288.351 -0.623 20 0 CBADLP [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC000642911595 357768676 /nfs/dbraw/zinc/76/86/76/357768676.db2.gz HNDDEZVXTLZXQW-NEPJUHHUSA-N 2 2 294.399 -0.321 20 0 CBADLP C[C@H]1CN(C(=O)C(=O)N2CC[NH+](C3CC3)CC2)C[C@H]1[NH3+] ZINC000643483825 357785198 /nfs/dbraw/zinc/78/51/98/357785198.db2.gz LLNRDKFIPFGAEX-CMPLNLGQSA-N 2 2 280.372 -0.901 20 0 CBADLP C[C@H]([NH2+]CC(=O)N1CC[NH2+]CC1)[C@H]1CCCC[NH2+]1 ZINC000643500382 357786188 /nfs/dbraw/zinc/78/61/88/357786188.db2.gz OVIIFZCJBCPBMO-NWDGAFQWSA-N 3 2 254.378 -0.462 20 0 CBADLP C[C@H](O)CNc1cc(NC[C@@H]2C[N@H+](C)CCN2C)nc[nH+]1 ZINC000294458695 199047580 /nfs/dbraw/zinc/04/75/80/199047580.db2.gz QJZFUYZOIFFSME-NWDGAFQWSA-N 2 2 294.403 -0.073 20 0 CBADLP C[C@H](O)CNc1cc(NC[C@@H]2C[N@@H+](C)CCN2C)nc[nH+]1 ZINC000294458695 199047583 /nfs/dbraw/zinc/04/75/83/199047583.db2.gz QJZFUYZOIFFSME-NWDGAFQWSA-N 2 2 294.403 -0.073 20 0 CBADLP C[C@@H](O)CNc1cc(NC[C@](C)(O)C[NH+](C)C)nc[nH+]1 ZINC000294502411 199064139 /nfs/dbraw/zinc/06/41/39/199064139.db2.gz SUHXSUKXLPKDCW-MFKMUULPSA-N 2 2 283.376 -0.006 20 0 CBADLP C[C@@H](O)CNc1cc(NC[C@](C)(O)C[NH+](C)C)[nH+]cn1 ZINC000294502411 199064141 /nfs/dbraw/zinc/06/41/41/199064141.db2.gz SUHXSUKXLPKDCW-MFKMUULPSA-N 2 2 283.376 -0.006 20 0 CBADLP CNC(=O)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000371294095 283320551 /nfs/dbraw/zinc/32/05/51/283320551.db2.gz IYRAMOUFKIFTQR-IJLUTSLNSA-N 2 2 255.362 -0.084 20 0 CBADLP CNC(=O)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000371294095 283320554 /nfs/dbraw/zinc/32/05/54/283320554.db2.gz IYRAMOUFKIFTQR-IJLUTSLNSA-N 2 2 255.362 -0.084 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000420367142 283365155 /nfs/dbraw/zinc/36/51/55/283365155.db2.gz MPDCBPICJXPKFM-YWPYICTPSA-N 2 2 298.431 -0.053 20 0 CBADLP CNC(=O)[C@@H](C)C[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000093178453 283381739 /nfs/dbraw/zinc/38/17/39/283381739.db2.gz CRBGPHBACHRITH-NSHDSACASA-N 2 2 270.377 -0.926 20 0 CBADLP CNC(=O)[C@@H](C)C[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000093178453 283381743 /nfs/dbraw/zinc/38/17/43/283381743.db2.gz CRBGPHBACHRITH-NSHDSACASA-N 2 2 270.377 -0.926 20 0 CBADLP COC(=O)NCC[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000496564964 291200038 /nfs/dbraw/zinc/20/00/38/291200038.db2.gz BHLAKZBYCWMMNT-GRYCIOLGSA-N 2 2 289.376 -0.598 20 0 CBADLP COC(=O)NCC[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000496564964 291200040 /nfs/dbraw/zinc/20/00/40/291200040.db2.gz BHLAKZBYCWMMNT-GRYCIOLGSA-N 2 2 289.376 -0.598 20 0 CBADLP C[C@@H]([NH3+])[C@@H](C)NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000418688398 296022156 /nfs/dbraw/zinc/02/21/56/296022156.db2.gz AZFSYEJPHYQYDK-KKOKHZNYSA-N 2 2 270.377 -0.116 20 0 CBADLP C[C@@H]([NH3+])[C@@H](C)NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000418688398 296022157 /nfs/dbraw/zinc/02/21/57/296022157.db2.gz AZFSYEJPHYQYDK-KKOKHZNYSA-N 2 2 270.377 -0.116 20 0 CBADLP CS(=O)(=O)N[C@H]1CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000182787729 189335526 /nfs/dbraw/zinc/33/55/26/189335526.db2.gz BDKCQEPMGQHYDY-NSHDSACASA-N 2 2 272.374 -0.103 20 0 CBADLP CS(=O)(=O)N[C@H]1CC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000182787729 189335527 /nfs/dbraw/zinc/33/55/27/189335527.db2.gz BDKCQEPMGQHYDY-NSHDSACASA-N 2 2 272.374 -0.103 20 0 CBADLP CS(=O)(=O)N1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000183167516 189349039 /nfs/dbraw/zinc/34/90/39/189349039.db2.gz AMZXENIKXRYDHQ-UHFFFAOYSA-N 2 2 272.374 -0.150 20 0 CBADLP C[C@@H](NC(=O)C[NH2+][C@](C)(C[NH3+])C1CC1)C(=O)N(C)C ZINC000430574613 296049752 /nfs/dbraw/zinc/04/97/52/296049752.db2.gz OLSPABRLBJAUKU-NOZJJQNGSA-N 2 2 270.377 -0.704 20 0 CBADLP CNC(=O)C[NH+]1CCC(NC(=O)c2c[nH+]ccc2N)CC1 ZINC000275661149 193099457 /nfs/dbraw/zinc/09/94/57/193099457.db2.gz MSMLQAMTSMNGLC-UHFFFAOYSA-N 2 2 291.355 -0.396 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N(C)C1CC[NH+](C)CC1 ZINC000330585977 203005008 /nfs/dbraw/zinc/00/50/08/203005008.db2.gz SGIFUWUJMCNAMF-UHFFFAOYSA-N 2 2 298.431 -0.005 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N(C)C1CC[NH+](C)CC1 ZINC000330585977 203005010 /nfs/dbraw/zinc/00/50/10/203005010.db2.gz SGIFUWUJMCNAMF-UHFFFAOYSA-N 2 2 298.431 -0.005 20 0 CBADLP O=C(C=Cc1c[nH]c[nH+]1)N1CC[NH+](CCO)CC1 ZINC000276518934 193365453 /nfs/dbraw/zinc/36/54/53/193365453.db2.gz CIBYPVBKZTZFDB-OWOJBTEDSA-N 2 2 250.302 -0.441 20 0 CBADLP C[C@@H](O)C(=O)N1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000346999669 296167602 /nfs/dbraw/zinc/16/76/02/296167602.db2.gz YWELMNIHBQVCLQ-NEPJUHHUSA-N 2 2 255.362 -0.489 20 0 CBADLP C[C@H]1C[N@H+](CCN2CCN(C(=O)C[NH+](C)C)CC2)CCO1 ZINC000337323047 214007165 /nfs/dbraw/zinc/00/71/65/214007165.db2.gz DWJZFEYBHQAFRZ-AWEZNQCLSA-N 2 2 298.431 -0.587 20 0 CBADLP C[C@H]1C[N@@H+](CCN2CCN(C(=O)C[NH+](C)C)CC2)CCO1 ZINC000337323047 214007167 /nfs/dbraw/zinc/00/71/67/214007167.db2.gz DWJZFEYBHQAFRZ-AWEZNQCLSA-N 2 2 298.431 -0.587 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)C[C@@H]2COCC[NH2+]2)CCO1 ZINC000574403053 335016736 /nfs/dbraw/zinc/01/67/36/335016736.db2.gz VSZLNDPMFRNLJY-NWDGAFQWSA-N 2 2 271.361 -0.798 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)C[C@@H]2COCC[NH2+]2)CCO1 ZINC000574403053 335016738 /nfs/dbraw/zinc/01/67/38/335016738.db2.gz VSZLNDPMFRNLJY-NWDGAFQWSA-N 2 2 271.361 -0.798 20 0 CBADLP C[C@H]1OCC[NH2+][C@H]1C(=O)NCCCn1cc[nH+]c1 ZINC000344143092 217071486 /nfs/dbraw/zinc/07/14/86/217071486.db2.gz PEHLKTBLMKJMRE-GHMZBOCLSA-N 2 2 252.318 -0.234 20 0 CBADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000344280153 217130301 /nfs/dbraw/zinc/13/03/01/217130301.db2.gz IUZWTNHUVVEZEP-QWHCGFSZSA-N 3 2 268.405 -0.310 20 0 CBADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000344280153 217130303 /nfs/dbraw/zinc/13/03/03/217130303.db2.gz IUZWTNHUVVEZEP-QWHCGFSZSA-N 3 2 268.405 -0.310 20 0 CBADLP C[C@H](CC[NH+]1CCOCC1)NC(=O)[C@@H]1[NH2+]CCO[C@H]1C ZINC000344444708 217192865 /nfs/dbraw/zinc/19/28/65/217192865.db2.gz MWUYVCWYFIJAOM-FRRDWIJNSA-N 2 2 285.388 -0.410 20 0 CBADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000120482652 372792890 /nfs/dbraw/zinc/79/28/90/372792890.db2.gz UXQPJTVKIMQAHB-NEPJUHHUSA-N 2 2 255.362 -0.130 20 0 CBADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000120482652 372792901 /nfs/dbraw/zinc/79/29/01/372792901.db2.gz UXQPJTVKIMQAHB-NEPJUHHUSA-N 2 2 255.362 -0.130 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](C)C[C@@H]2C)C1 ZINC000353430504 220077940 /nfs/dbraw/zinc/07/79/40/220077940.db2.gz XHADRBJNDHLMLF-NWDGAFQWSA-N 2 2 255.362 -0.130 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](C)C[C@@H]2C)C1 ZINC000353430504 220077942 /nfs/dbraw/zinc/07/79/42/220077942.db2.gz XHADRBJNDHLMLF-NWDGAFQWSA-N 2 2 255.362 -0.130 20 0 CBADLP CC[NH+]1CCO[C@@H](C(=O)N2CC[N@H+](C)C[C@@H]2C)C1 ZINC000353430504 220077944 /nfs/dbraw/zinc/07/79/44/220077944.db2.gz XHADRBJNDHLMLF-NWDGAFQWSA-N 2 2 255.362 -0.130 20 0 CBADLP CC[NH+]1CCO[C@@H](C(=O)N2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000353430504 220077946 /nfs/dbraw/zinc/07/79/46/220077946.db2.gz XHADRBJNDHLMLF-NWDGAFQWSA-N 2 2 255.362 -0.130 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](C)C[C@@H]2C)C1 ZINC000353430505 220078643 /nfs/dbraw/zinc/07/86/43/220078643.db2.gz XHADRBJNDHLMLF-RYUDHWBXSA-N 2 2 255.362 -0.130 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[NH+](C)C[C@@H]2C)C1 ZINC000353430505 220078644 /nfs/dbraw/zinc/07/86/44/220078644.db2.gz XHADRBJNDHLMLF-RYUDHWBXSA-N 2 2 255.362 -0.130 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)N2CC[N@H+](C)C[C@@H]2C)C1 ZINC000353430505 220078646 /nfs/dbraw/zinc/07/86/46/220078646.db2.gz XHADRBJNDHLMLF-RYUDHWBXSA-N 2 2 255.362 -0.130 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)N2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000353430505 220078648 /nfs/dbraw/zinc/07/86/48/220078648.db2.gz XHADRBJNDHLMLF-RYUDHWBXSA-N 2 2 255.362 -0.130 20 0 CBADLP CC[C@H](C(=O)NC[C@](C)(O)C[NH+]1CCOCC1)[NH+](C)C ZINC000125387250 372795826 /nfs/dbraw/zinc/79/58/26/372795826.db2.gz LHEZPVSWHJJRCL-OCCSQVGLSA-N 2 2 287.404 -0.474 20 0 CBADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)[C@H](C)C[NH2+]C)CC1 ZINC000163956391 372824508 /nfs/dbraw/zinc/82/45/08/372824508.db2.gz ZMJXWAFTEGFFKN-CYBMUJFWSA-N 2 2 298.431 -0.146 20 0 CBADLP CN(C)C(=O)C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129574176 372797518 /nfs/dbraw/zinc/79/75/18/372797518.db2.gz WRTVAEAFYBINPV-GFCCVEGCSA-N 2 2 255.362 -0.271 20 0 CBADLP CN(C)C(=O)C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129574176 372797528 /nfs/dbraw/zinc/79/75/28/372797528.db2.gz WRTVAEAFYBINPV-GFCCVEGCSA-N 2 2 255.362 -0.271 20 0 CBADLP C[N@@H+]1CCC[C@H]2C[NH+](CCNS(C)(=O)=O)CC[C@@H]21 ZINC000158692056 372814143 /nfs/dbraw/zinc/81/41/43/372814143.db2.gz KMYUQLVBURFJKK-RYUDHWBXSA-N 2 2 275.418 -0.048 20 0 CBADLP C[N@H+]1CCC[C@H]2C[NH+](CCNS(C)(=O)=O)CC[C@@H]21 ZINC000158692056 372814157 /nfs/dbraw/zinc/81/41/57/372814157.db2.gz KMYUQLVBURFJKK-RYUDHWBXSA-N 2 2 275.418 -0.048 20 0 CBADLP C[NH+]1CCC[C@H]2C[N@H+](CCNS(C)(=O)=O)CC[C@@H]21 ZINC000158692056 372814165 /nfs/dbraw/zinc/81/41/65/372814165.db2.gz KMYUQLVBURFJKK-RYUDHWBXSA-N 2 2 275.418 -0.048 20 0 CBADLP C[NH+]1CCC[C@H]2C[N@@H+](CCNS(C)(=O)=O)CC[C@@H]21 ZINC000158692056 372814178 /nfs/dbraw/zinc/81/41/78/372814178.db2.gz KMYUQLVBURFJKK-RYUDHWBXSA-N 2 2 275.418 -0.048 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCCC[C@H]2C(N)=O)CC1 ZINC000184833787 372846506 /nfs/dbraw/zinc/84/65/06/372846506.db2.gz ZHIAAQQPBJHDEU-VXGBXAGGSA-N 2 2 282.388 -0.606 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH+]2CCSCC2)C1 ZINC000353445358 220088013 /nfs/dbraw/zinc/08/80/13/220088013.db2.gz LBXQHQPWNYHFBS-LBPRGKRZSA-N 2 2 287.429 -0.128 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)NCC[NH+]2CCSCC2)C1 ZINC000353445358 220088015 /nfs/dbraw/zinc/08/80/15/220088015.db2.gz LBXQHQPWNYHFBS-LBPRGKRZSA-N 2 2 287.429 -0.128 20 0 CBADLP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+]([C@H](C)C(N)=O)CC2)C1 ZINC000247232695 372886541 /nfs/dbraw/zinc/88/65/41/372886541.db2.gz RJRJBTGEUJLJFB-KGLIPLIRSA-N 2 2 298.431 -0.413 20 0 CBADLP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+]([C@H](C)C(N)=O)CC2)C1 ZINC000247232695 372886549 /nfs/dbraw/zinc/88/65/49/372886549.db2.gz RJRJBTGEUJLJFB-KGLIPLIRSA-N 2 2 298.431 -0.413 20 0 CBADLP NC(=O)[C@H](Cc1ccccc1)[NH2+]C[C@@H]1C[NH+]2CCN1CC2 ZINC000273380006 372921234 /nfs/dbraw/zinc/92/12/34/372921234.db2.gz FUJDZYZJUFJZKK-CABCVRRESA-N 2 2 288.395 -0.328 20 0 CBADLP C[C@H](NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)[C@H](C)[NH+]1CCOCC1 ZINC000333370988 205262011 /nfs/dbraw/zinc/26/20/11/205262011.db2.gz MKIYLECBTSJDJC-XDQVBPFNSA-N 2 2 296.415 -0.044 20 0 CBADLP COCC[N@@H+]1CC[C@H](NC(=O)NCc2c[nH+]cn2C)C1 ZINC000290669157 372960694 /nfs/dbraw/zinc/96/06/94/372960694.db2.gz GXLWYTBKRCNOFN-NSHDSACASA-N 2 2 281.360 -0.060 20 0 CBADLP COCC[N@H+]1CC[C@H](NC(=O)NCc2c[nH+]cn2C)C1 ZINC000290669157 372960699 /nfs/dbraw/zinc/96/06/99/372960699.db2.gz GXLWYTBKRCNOFN-NSHDSACASA-N 2 2 281.360 -0.060 20 0 CBADLP COCC[N@@H+]1CC[C@@H](NC(=O)NCc2c[nH+]cn2C)C1 ZINC000290669153 372960718 /nfs/dbraw/zinc/96/07/18/372960718.db2.gz GXLWYTBKRCNOFN-LLVKDONJSA-N 2 2 281.360 -0.060 20 0 CBADLP COCC[N@H+]1CC[C@@H](NC(=O)NCc2c[nH+]cn2C)C1 ZINC000290669153 372960722 /nfs/dbraw/zinc/96/07/22/372960722.db2.gz GXLWYTBKRCNOFN-LLVKDONJSA-N 2 2 281.360 -0.060 20 0 CBADLP C[N@@H+]1CCO[C@@H](CNC(=O)N2CC[NH2+]C[C@@](C)(F)C2)C1 ZINC000333518327 205398200 /nfs/dbraw/zinc/39/82/00/205398200.db2.gz GJBSHGYOGWRDFV-WCQYABFASA-N 2 2 288.367 -0.340 20 0 CBADLP C[N@H+]1CCO[C@@H](CNC(=O)N2CC[NH2+]C[C@@](C)(F)C2)C1 ZINC000333518327 205398204 /nfs/dbraw/zinc/39/82/04/205398204.db2.gz GJBSHGYOGWRDFV-WCQYABFASA-N 2 2 288.367 -0.340 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351524518 373097826 /nfs/dbraw/zinc/09/78/26/373097826.db2.gz RBIXVBSKVVDXJG-MNOVXSKESA-N 2 2 279.344 -0.744 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351524520 373098071 /nfs/dbraw/zinc/09/80/71/373098071.db2.gz RBIXVBSKVVDXJG-WDEREUQCSA-N 2 2 279.344 -0.744 20 0 CBADLP C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000351986490 373100156 /nfs/dbraw/zinc/10/01/56/373100156.db2.gz JHTWBHHPZUGJIS-UTUOFQBUSA-N 2 2 255.362 -0.132 20 0 CBADLP C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000351986490 373100162 /nfs/dbraw/zinc/10/01/62/373100162.db2.gz JHTWBHHPZUGJIS-UTUOFQBUSA-N 2 2 255.362 -0.132 20 0 CBADLP C[C@@H]1C[NH+](C)[C@H](C)CN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000351986490 373100168 /nfs/dbraw/zinc/10/01/68/373100168.db2.gz JHTWBHHPZUGJIS-UTUOFQBUSA-N 2 2 255.362 -0.132 20 0 CBADLP C[C@@H]1C[NH+](C)[C@H](C)CN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000351986490 373100176 /nfs/dbraw/zinc/10/01/76/373100176.db2.gz JHTWBHHPZUGJIS-UTUOFQBUSA-N 2 2 255.362 -0.132 20 0 CBADLP CC[C@@H](C(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)OC)[NH+](C)C ZINC000355742038 373153678 /nfs/dbraw/zinc/15/36/78/373153678.db2.gz CFNOEYXCDZSGDL-MNOVXSKESA-N 2 2 282.344 -0.050 20 0 CBADLP CC[C@@H](C(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)OC)[NH+](C)C ZINC000355742038 373153688 /nfs/dbraw/zinc/15/36/88/373153688.db2.gz CFNOEYXCDZSGDL-MNOVXSKESA-N 2 2 282.344 -0.050 20 0 CBADLP CC[N@H+](CC(N)=O)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000355538127 373134265 /nfs/dbraw/zinc/13/42/65/373134265.db2.gz BELPCMSGXDEFTJ-UHFFFAOYSA-N 2 2 282.388 -0.463 20 0 CBADLP CC[N@@H+](CC(N)=O)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000355538127 373134266 /nfs/dbraw/zinc/13/42/66/373134266.db2.gz BELPCMSGXDEFTJ-UHFFFAOYSA-N 2 2 282.388 -0.463 20 0 CBADLP COC[C@@H](C)NC(=O)NC(=O)C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360566083 373209968 /nfs/dbraw/zinc/20/99/68/373209968.db2.gz XDOUUAJYEVIFER-RISCZKNCSA-N 2 2 298.387 -0.468 20 0 CBADLP COC[C@@H](C)NC(=O)NC(=O)C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360566083 373209974 /nfs/dbraw/zinc/20/99/74/373209974.db2.gz XDOUUAJYEVIFER-RISCZKNCSA-N 2 2 298.387 -0.468 20 0 CBADLP Cc1cc(N2CC[C@@H]([N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)C2=O)n(C)n1 ZINC000359269272 373174667 /nfs/dbraw/zinc/17/46/67/373174667.db2.gz CIEAXAVPWFDDFP-FRRDWIJNSA-N 2 2 289.383 -0.015 20 0 CBADLP Cc1cc(N2CC[C@@H]([N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)C2=O)n(C)n1 ZINC000359269272 373174671 /nfs/dbraw/zinc/17/46/71/373174671.db2.gz CIEAXAVPWFDDFP-FRRDWIJNSA-N 2 2 289.383 -0.015 20 0 CBADLP C[C@H](O)C[N@H+](C)C1CC[NH+]([C@H]2COC[C@H]2O)CC1 ZINC000361294198 373274182 /nfs/dbraw/zinc/27/41/82/373274182.db2.gz CWOLGEXWZYTDJU-WCFLWFBJSA-N 2 2 258.362 -0.477 20 0 CBADLP C[C@H](O)C[N@@H+](C)C1CC[NH+]([C@H]2COC[C@H]2O)CC1 ZINC000361294198 373274189 /nfs/dbraw/zinc/27/41/89/373274189.db2.gz CWOLGEXWZYTDJU-WCFLWFBJSA-N 2 2 258.362 -0.477 20 0 CBADLP O=C(NCCC[NH+]1CCC(O)CC1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000360836608 373241048 /nfs/dbraw/zinc/24/10/48/373241048.db2.gz XWWTZWLJMBVBSV-LLVKDONJSA-N 2 2 291.342 -0.053 20 0 CBADLP C[NH2+]CC(=O)N1CCC[N@H+](CC(=O)NC(C)C)CC1 ZINC000361720094 373329982 /nfs/dbraw/zinc/32/99/82/373329982.db2.gz XGOUMZRNALMTLB-UHFFFAOYSA-N 2 2 270.377 -0.735 20 0 CBADLP C[NH2+]CC(=O)N1CCC[N@@H+](CC(=O)NC(C)C)CC1 ZINC000361720094 373329988 /nfs/dbraw/zinc/32/99/88/373329988.db2.gz XGOUMZRNALMTLB-UHFFFAOYSA-N 2 2 270.377 -0.735 20 0 CBADLP CC[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@H]1CCOC1 ZINC000361594611 373316038 /nfs/dbraw/zinc/31/60/38/373316038.db2.gz KMYNJTIPVAMVFP-LBPRGKRZSA-N 2 2 255.362 -0.129 20 0 CBADLP CC[N@@H+](CC(=O)N1CC[NH+](C)CC1)[C@H]1CCOC1 ZINC000361594611 373316048 /nfs/dbraw/zinc/31/60/48/373316048.db2.gz KMYNJTIPVAMVFP-LBPRGKRZSA-N 2 2 255.362 -0.129 20 0 CBADLP COCC[NH+]1CCN(C(=O)c2ccnc(C[NH3+])c2)CC1 ZINC000361607422 373318979 /nfs/dbraw/zinc/31/89/79/373318979.db2.gz BLCCNFQCQQZULC-UHFFFAOYSA-N 2 2 278.356 -0.056 20 0 CBADLP CC(C)NC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000361719749 373331432 /nfs/dbraw/zinc/33/14/32/373331432.db2.gz VFAGOHCABBTHPD-ZDUSSCGKSA-N 2 2 296.415 -0.203 20 0 CBADLP CC(C)NC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000361719749 373331438 /nfs/dbraw/zinc/33/14/38/373331438.db2.gz VFAGOHCABBTHPD-ZDUSSCGKSA-N 2 2 296.415 -0.203 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000362564804 373424644 /nfs/dbraw/zinc/42/46/44/373424644.db2.gz OEFKUDSTDKNCQQ-GXTWGEPZSA-N 2 2 296.415 -0.536 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000362564804 373424654 /nfs/dbraw/zinc/42/46/54/373424654.db2.gz OEFKUDSTDKNCQQ-GXTWGEPZSA-N 2 2 296.415 -0.536 20 0 CBADLP CC[NH+](CC)CC(=O)N1CC[NH+]([C@@H]2CCCNC2=O)CC1 ZINC000362250191 373382600 /nfs/dbraw/zinc/38/26/00/373382600.db2.gz OOTMQWMQKBJPIZ-CYBMUJFWSA-N 2 2 296.415 -0.249 20 0 CBADLP CCCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362836624 373452516 /nfs/dbraw/zinc/45/25/16/373452516.db2.gz IBAZZNBPVQBHSZ-STQMWFEESA-N 2 2 296.415 -0.203 20 0 CBADLP CCCNC(=O)[C@H](C)[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362836624 373452522 /nfs/dbraw/zinc/45/25/22/373452522.db2.gz IBAZZNBPVQBHSZ-STQMWFEESA-N 2 2 296.415 -0.203 20 0 CBADLP COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC000362965162 373468111 /nfs/dbraw/zinc/46/81/11/373468111.db2.gz ZLCQXZPLJZKGIA-USWWRNFRSA-N 2 2 294.355 -0.192 20 0 CBADLP COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC000362965162 373468119 /nfs/dbraw/zinc/46/81/19/373468119.db2.gz ZLCQXZPLJZKGIA-USWWRNFRSA-N 2 2 294.355 -0.192 20 0 CBADLP COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC000362965162 373468127 /nfs/dbraw/zinc/46/81/27/373468127.db2.gz ZLCQXZPLJZKGIA-USWWRNFRSA-N 2 2 294.355 -0.192 20 0 CBADLP COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC000362965162 373468131 /nfs/dbraw/zinc/46/81/31/373468131.db2.gz ZLCQXZPLJZKGIA-USWWRNFRSA-N 2 2 294.355 -0.192 20 0 CBADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000362677002 373435441 /nfs/dbraw/zinc/43/54/41/373435441.db2.gz WPOMUVAIULHBJR-UONOGXRCSA-N 3 2 280.416 -0.118 20 0 CBADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000362677002 373435446 /nfs/dbraw/zinc/43/54/46/373435446.db2.gz WPOMUVAIULHBJR-UONOGXRCSA-N 3 2 280.416 -0.118 20 0 CBADLP CC(=O)N(C)CC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369273721 373548436 /nfs/dbraw/zinc/54/84/36/373548436.db2.gz JATLYRNKOBRGSL-ZDUSSCGKSA-N 2 2 296.415 -0.251 20 0 CBADLP CC(=O)N(C)CC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369273721 373548441 /nfs/dbraw/zinc/54/84/41/373548441.db2.gz JATLYRNKOBRGSL-ZDUSSCGKSA-N 2 2 296.415 -0.251 20 0 CBADLP CC[C@H](C(=O)N1CCC[N@H+](CC(N)=O)CC1)[NH+](C)C ZINC000370651731 373550835 /nfs/dbraw/zinc/55/08/35/373550835.db2.gz LDJFYLMNZHLUDZ-LLVKDONJSA-N 2 2 270.377 -0.654 20 0 CBADLP CC[C@H](C(=O)N1CCC[N@@H+](CC(N)=O)CC1)[NH+](C)C ZINC000370651731 373550840 /nfs/dbraw/zinc/55/08/40/373550840.db2.gz LDJFYLMNZHLUDZ-LLVKDONJSA-N 2 2 270.377 -0.654 20 0 CBADLP C[C@@H]1OCC[C@@]12C[N@H+](CC(=O)N1CC[NH+](C)CC1)CCO2 ZINC000375926064 373568327 /nfs/dbraw/zinc/56/83/27/373568327.db2.gz CZCFEHDGJOXLON-DZGCQCFKSA-N 2 2 297.399 -0.360 20 0 CBADLP C[C@@H]1OCC[C@@]12C[N@@H+](CC(=O)N1CC[NH+](C)CC1)CCO2 ZINC000375926064 373568335 /nfs/dbraw/zinc/56/83/35/373568335.db2.gz CZCFEHDGJOXLON-DZGCQCFKSA-N 2 2 297.399 -0.360 20 0 CBADLP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[NH+](C)CC2)C1 ZINC000411027976 373622877 /nfs/dbraw/zinc/62/28/77/373622877.db2.gz OYRDFLOXSNPPAU-ZDUSSCGKSA-N 2 2 296.415 -0.299 20 0 CBADLP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[NH+](C)CC2)C1 ZINC000411027976 373622886 /nfs/dbraw/zinc/62/28/86/373622886.db2.gz OYRDFLOXSNPPAU-ZDUSSCGKSA-N 2 2 296.415 -0.299 20 0 CBADLP CN(C(=O)[C@H]1C[N@H+](C)CCO1)C(C)(C)C[NH+]1CCOCC1 ZINC000414048405 373624607 /nfs/dbraw/zinc/62/46/07/373624607.db2.gz FUHOLTRTLYAEPI-CYBMUJFWSA-N 2 2 299.415 -0.114 20 0 CBADLP CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C(C)(C)C[NH+]1CCOCC1 ZINC000414048405 373624616 /nfs/dbraw/zinc/62/46/16/373624616.db2.gz FUHOLTRTLYAEPI-CYBMUJFWSA-N 2 2 299.415 -0.114 20 0 CBADLP C[C@H]([NH3+])C[N@@H+]1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000420382918 373648588 /nfs/dbraw/zinc/64/85/88/373648588.db2.gz ZDAMPZKOIZQVJI-QWRGUYRKSA-N 2 2 263.407 -0.063 20 0 CBADLP C[C@H]([NH3+])C[N@H+]1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000420382918 373648598 /nfs/dbraw/zinc/64/85/98/373648598.db2.gz ZDAMPZKOIZQVJI-QWRGUYRKSA-N 2 2 263.407 -0.063 20 0 CBADLP CNC(=O)NC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420402916 373652074 /nfs/dbraw/zinc/65/20/74/373652074.db2.gz RALMLDNJFJNTSM-GHMZBOCLSA-N 2 2 268.361 -0.094 20 0 CBADLP CNC(=O)NC(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420402916 373652078 /nfs/dbraw/zinc/65/20/78/373652078.db2.gz RALMLDNJFJNTSM-GHMZBOCLSA-N 2 2 268.361 -0.094 20 0 CBADLP COCCN(C)CC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422903551 373653542 /nfs/dbraw/zinc/65/35/42/373653542.db2.gz FPCLLCHNPNIDGE-ZIAGYGMSSA-N 2 2 271.405 -0.079 20 0 CBADLP Cc1c(/C=C\C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cnn1C ZINC000493512983 373717166 /nfs/dbraw/zinc/71/71/66/373717166.db2.gz ADQXBYQYLUBZTI-DSYXLKISSA-N 2 2 277.372 -0.157 20 0 CBADLP Cc1c(/C=C\C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cnn1C ZINC000493512983 373717173 /nfs/dbraw/zinc/71/71/73/373717173.db2.gz ADQXBYQYLUBZTI-DSYXLKISSA-N 2 2 277.372 -0.157 20 0 CBADLP CCS(=O)(=O)NCC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000514904984 373770723 /nfs/dbraw/zinc/77/07/23/373770723.db2.gz MOJNGNARDXFRGO-UHFFFAOYSA-N 2 2 287.389 -0.529 20 0 CBADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](CCOCC(F)(F)F)CCN2C1=O ZINC000515071603 373777102 /nfs/dbraw/zinc/77/71/02/373777102.db2.gz BBSCOHBDIZVHLJ-DTWKUNHWSA-N 2 2 281.278 -0.191 20 0 CBADLP COC(=O)[C@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CC[N@H+](C)C1 ZINC000493809052 373730768 /nfs/dbraw/zinc/73/07/68/373730768.db2.gz GMMKACQSDKVMMM-DLRQAJBASA-N 2 2 292.339 -0.014 20 0 CBADLP COC(=O)[C@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CC[N@@H+](C)C1 ZINC000493809052 373730773 /nfs/dbraw/zinc/73/07/73/373730773.db2.gz GMMKACQSDKVMMM-DLRQAJBASA-N 2 2 292.339 -0.014 20 0 CBADLP COC(=O)[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CC[N@H+](C)C1 ZINC000493809054 373730815 /nfs/dbraw/zinc/73/08/15/373730815.db2.gz GMMKACQSDKVMMM-UFFNRZRYSA-N 2 2 292.339 -0.014 20 0 CBADLP COC(=O)[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CC[N@@H+](C)C1 ZINC000493809054 373730822 /nfs/dbraw/zinc/73/08/22/373730822.db2.gz GMMKACQSDKVMMM-UFFNRZRYSA-N 2 2 292.339 -0.014 20 0 CBADLP CN(C)C(=O)O[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000497165025 373752116 /nfs/dbraw/zinc/75/21/16/373752116.db2.gz KFROPFRRIVSDRO-GFCCVEGCSA-N 2 2 298.387 -0.467 20 0 CBADLP CN(C)C(=O)O[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000497165025 373752123 /nfs/dbraw/zinc/75/21/23/373752123.db2.gz KFROPFRRIVSDRO-GFCCVEGCSA-N 2 2 298.387 -0.467 20 0 CBADLP C[C@H](C(=O)N(C1CC1)[C@H]1CC[NH2+]C1)[NH+]1CCN(C)CC1 ZINC000514864107 373767068 /nfs/dbraw/zinc/76/70/68/373767068.db2.gz QTROHFBGGDLHLM-OCCSQVGLSA-N 2 2 280.416 -0.025 20 0 CBADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@]2(C)CCC[NH2+]2)CC1 ZINC000516651638 373818116 /nfs/dbraw/zinc/81/81/16/373818116.db2.gz HFGQHKFYWKZBQS-HNNXBMFYSA-N 2 2 296.415 -0.201 20 0 CBADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@]2(C)CCC[NH2+]2)CC1 ZINC000516651638 373818122 /nfs/dbraw/zinc/81/81/22/373818122.db2.gz HFGQHKFYWKZBQS-HNNXBMFYSA-N 2 2 296.415 -0.201 20 0 CBADLP COC(=O)CCNC(=O)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000515069384 373777306 /nfs/dbraw/zinc/77/73/06/373777306.db2.gz WOBUVZSGJOZOBL-LLVKDONJSA-N 2 2 294.355 -0.111 20 0 CBADLP COC(=O)CCNC(=O)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000515069384 373777310 /nfs/dbraw/zinc/77/73/10/373777310.db2.gz WOBUVZSGJOZOBL-LLVKDONJSA-N 2 2 294.355 -0.111 20 0 CBADLP Cc1[nH+]cc(C[NH2+]CCCNS(C)(=O)=O)n1C ZINC000515171183 373778364 /nfs/dbraw/zinc/77/83/64/373778364.db2.gz JTYSKMCXKICVDS-UHFFFAOYSA-N 2 2 260.363 -0.243 20 0 CBADLP C[C@H](CC[NH+](C)C)NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000515520882 373791508 /nfs/dbraw/zinc/79/15/08/373791508.db2.gz BEUBQULZEVTXJI-VXGBXAGGSA-N 3 2 271.409 -0.389 20 0 CBADLP C[C@H](CC[NH+](C)C)NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000515520882 373791515 /nfs/dbraw/zinc/79/15/15/373791515.db2.gz BEUBQULZEVTXJI-VXGBXAGGSA-N 3 2 271.409 -0.389 20 0 CBADLP C[C@@H](C(=O)NCC[N@@H+]1CCO[C@H](C)C1)N1CC[NH+](C)CC1 ZINC000524300555 373883001 /nfs/dbraw/zinc/88/30/01/373883001.db2.gz YMIPRPCOCXMKJK-KGLIPLIRSA-N 2 2 298.431 -0.541 20 0 CBADLP C[C@@H](C(=O)NCC[N@H+]1CCO[C@H](C)C1)N1CC[NH+](C)CC1 ZINC000524300555 373883010 /nfs/dbraw/zinc/88/30/10/373883010.db2.gz YMIPRPCOCXMKJK-KGLIPLIRSA-N 2 2 298.431 -0.541 20 0 CBADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC000527003525 373899934 /nfs/dbraw/zinc/89/99/34/373899934.db2.gz DFSGLDKDHMYGEG-VXGBXAGGSA-N 2 2 280.372 -0.124 20 0 CBADLP C[C@@H](O)C[N@H+]1CCN(C(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC000527003525 373899936 /nfs/dbraw/zinc/89/99/36/373899936.db2.gz DFSGLDKDHMYGEG-VXGBXAGGSA-N 2 2 280.372 -0.124 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCN1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000521456881 373844451 /nfs/dbraw/zinc/84/44/51/373844451.db2.gz IUMPDYLKMDXALC-AVGNSLFASA-N 2 2 257.378 -0.686 20 0 CBADLP C[C@H]1COCC[N@H+]1CCN1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000521456881 373844458 /nfs/dbraw/zinc/84/44/58/373844458.db2.gz IUMPDYLKMDXALC-AVGNSLFASA-N 2 2 257.378 -0.686 20 0 CBADLP Cn1cc[nH+]c1N1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000521948932 373853938 /nfs/dbraw/zinc/85/39/38/373853938.db2.gz TUWSXNUINZPDNY-UHFFFAOYSA-N 2 2 274.328 -0.035 20 0 CBADLP C[C@@H]1C[C@@H](C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])CCO1 ZINC000521999031 373855817 /nfs/dbraw/zinc/85/58/17/373855817.db2.gz VPXPXLHFRFTOKV-GRYCIOLGSA-N 2 2 255.362 -0.097 20 0 CBADLP C[C@@H]1C[C@@H](C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])CCO1 ZINC000521999031 373855826 /nfs/dbraw/zinc/85/58/26/373855826.db2.gz VPXPXLHFRFTOKV-GRYCIOLGSA-N 2 2 255.362 -0.097 20 0 CBADLP C[N@@H+]1CCN(C(=O)CC(=O)NCC(F)(F)F)[C@@H](C[NH3+])C1 ZINC000522001566 373856843 /nfs/dbraw/zinc/85/68/43/373856843.db2.gz ZYBOOICUIOVBLU-QMMMGPOBSA-N 2 2 296.293 -0.844 20 0 CBADLP C[N@H+]1CCN(C(=O)CC(=O)NCC(F)(F)F)[C@@H](C[NH3+])C1 ZINC000522001566 373856847 /nfs/dbraw/zinc/85/68/47/373856847.db2.gz ZYBOOICUIOVBLU-QMMMGPOBSA-N 2 2 296.293 -0.844 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1C(=O)N(C)C ZINC000522058208 373859266 /nfs/dbraw/zinc/85/92/66/373859266.db2.gz GEANZRUBPDGZGI-OLZOCXBDSA-N 2 2 287.404 -0.522 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1C(=O)N(C)C ZINC000522058208 373859273 /nfs/dbraw/zinc/85/92/73/373859273.db2.gz GEANZRUBPDGZGI-OLZOCXBDSA-N 2 2 287.404 -0.522 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000522058208 373859277 /nfs/dbraw/zinc/85/92/77/373859277.db2.gz GEANZRUBPDGZGI-OLZOCXBDSA-N 2 2 287.404 -0.522 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000522058208 373859283 /nfs/dbraw/zinc/85/92/83/373859283.db2.gz GEANZRUBPDGZGI-OLZOCXBDSA-N 2 2 287.404 -0.522 20 0 CBADLP CN1CC[N@H+](C)[C@@H](CNC(=O)NC[C@@H]2CCC[NH+](C)C2)C1 ZINC000522102669 373861452 /nfs/dbraw/zinc/86/14/52/373861452.db2.gz RJPGIHHWAWBYHK-KBPBESRZSA-N 2 2 297.447 -0.127 20 0 CBADLP CN1CC[N@@H+](C)[C@@H](CNC(=O)NC[C@@H]2CCC[NH+](C)C2)C1 ZINC000522102669 373861462 /nfs/dbraw/zinc/86/14/62/373861462.db2.gz RJPGIHHWAWBYHK-KBPBESRZSA-N 2 2 297.447 -0.127 20 0 CBADLP CN1CC[NH+](C)[C@@H](CNC(=O)NC[C@@H]2CCC[N@H+](C)C2)C1 ZINC000522102669 373861468 /nfs/dbraw/zinc/86/14/68/373861468.db2.gz RJPGIHHWAWBYHK-KBPBESRZSA-N 2 2 297.447 -0.127 20 0 CBADLP CN1CC[NH+](C)[C@@H](CNC(=O)NC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000522102669 373861475 /nfs/dbraw/zinc/86/14/75/373861475.db2.gz RJPGIHHWAWBYHK-KBPBESRZSA-N 2 2 297.447 -0.127 20 0 CBADLP C[C@H]1CC[NH2+]C[C@H]1NC(=O)N(C)CC[NH+]1CCOCC1 ZINC000333876073 205793221 /nfs/dbraw/zinc/79/32/21/205793221.db2.gz VIQFXKJABZPEDY-QWHCGFSZSA-N 2 2 284.404 -0.042 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000528567930 373960300 /nfs/dbraw/zinc/96/03/00/373960300.db2.gz VSCJKCRRKNFERA-CYBMUJFWSA-N 2 2 279.388 -0.056 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC000528567931 373960316 /nfs/dbraw/zinc/96/03/16/373960316.db2.gz VSCJKCRRKNFERA-ZDUSSCGKSA-N 2 2 279.388 -0.056 20 0 CBADLP C[C@@H](C(=O)NCCC(=O)N1CC[NH+](C)CC1)[NH+]1CC(C)C1 ZINC000574462255 335021852 /nfs/dbraw/zinc/02/18/52/335021852.db2.gz DQZKXRKHMJHROX-ZDUSSCGKSA-N 2 2 296.415 -0.393 20 0 CBADLP O=C(NC[C@@H]1COCC[NH2+]1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000529326057 374002279 /nfs/dbraw/zinc/00/22/79/374002279.db2.gz KJAIBWFYOPTSKX-NXEZZACHSA-N 2 2 279.344 -0.445 20 0 CBADLP O=C(NC[C@@H]1COCC[NH2+]1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000529326057 374002286 /nfs/dbraw/zinc/00/22/86/374002286.db2.gz KJAIBWFYOPTSKX-NXEZZACHSA-N 2 2 279.344 -0.445 20 0 CBADLP C[N@@H+]1CCN(C(=O)NCC23CC(C2)CO3)[C@H](C[NH3+])C1 ZINC000529371156 374012095 /nfs/dbraw/zinc/01/20/95/374012095.db2.gz WKAZSJBXOPWHEO-QWKFWESOSA-N 2 2 268.361 -0.550 20 0 CBADLP C[N@H+]1CCN(C(=O)NCC23CC(C2)CO3)[C@H](C[NH3+])C1 ZINC000529371156 374012101 /nfs/dbraw/zinc/01/21/01/374012101.db2.gz WKAZSJBXOPWHEO-QWKFWESOSA-N 2 2 268.361 -0.550 20 0 CBADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000529376249 374018081 /nfs/dbraw/zinc/01/80/81/374018081.db2.gz MLNUDOFEYYCXOB-RYUDHWBXSA-N 2 2 293.371 -0.093 20 0 CBADLP CNC(=O)NC[C@H]1C[N@H+](CCc2c[nH+]cn2C)CCO1 ZINC000528628772 373969234 /nfs/dbraw/zinc/96/92/34/373969234.db2.gz MAQHDBIUJODQQB-LBPRGKRZSA-N 2 2 281.360 -0.408 20 0 CBADLP CNC(=O)NC[C@H]1C[N@@H+](CCc2c[nH+]cn2C)CCO1 ZINC000528628772 373969237 /nfs/dbraw/zinc/96/92/37/373969237.db2.gz MAQHDBIUJODQQB-LBPRGKRZSA-N 2 2 281.360 -0.408 20 0 CBADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1C[C@H](O)C[C@H]1C(N)=O ZINC000528633908 373972668 /nfs/dbraw/zinc/97/26/68/373972668.db2.gz KASPXHWLDYDIPA-TUAOUCFPSA-N 2 2 255.362 -0.219 20 0 CBADLP C[N@H+]1CCCC[C@H]1CC[NH+]1C[C@H](O)C[C@H]1C(N)=O ZINC000528633908 373972670 /nfs/dbraw/zinc/97/26/70/373972670.db2.gz KASPXHWLDYDIPA-TUAOUCFPSA-N 2 2 255.362 -0.219 20 0 CBADLP C[NH+]1CCCC[C@H]1CC[N@@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000528633908 373972674 /nfs/dbraw/zinc/97/26/74/373972674.db2.gz KASPXHWLDYDIPA-TUAOUCFPSA-N 2 2 255.362 -0.219 20 0 CBADLP C[NH+]1CCCC[C@H]1CC[N@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000528633908 373972676 /nfs/dbraw/zinc/97/26/76/373972676.db2.gz KASPXHWLDYDIPA-TUAOUCFPSA-N 2 2 255.362 -0.219 20 0 CBADLP Cc1c[nH+]ccc1NC(=O)NC[C@H]1COCC[NH2+]1 ZINC000528684410 373974591 /nfs/dbraw/zinc/97/45/91/373974591.db2.gz DJPZYBVKYWJNQT-JTQLQIEISA-N 2 2 250.302 -0.078 20 0 CBADLP C(N[C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)[C@@H]1COCC[NH2+]1 ZINC000530226255 374066181 /nfs/dbraw/zinc/06/61/81/374066181.db2.gz QWDXWBPXMKOMHQ-AGIUHOORSA-N 2 2 255.362 -0.669 20 0 CBADLP C([NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)[C@@H]1COCCN1 ZINC000530226255 374066186 /nfs/dbraw/zinc/06/61/86/374066186.db2.gz QWDXWBPXMKOMHQ-AGIUHOORSA-N 2 2 255.362 -0.669 20 0 CBADLP CNC(=O)NC[C@@H]1C[N@H+](C[C@@H]2CCC[NH2+]C2)CCO1 ZINC000530232348 374069337 /nfs/dbraw/zinc/06/93/37/374069337.db2.gz YMRSRTHFHBKXKA-VXGBXAGGSA-N 2 2 270.377 -0.384 20 0 CBADLP CNC(=O)NC[C@@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)CCO1 ZINC000530232348 374069343 /nfs/dbraw/zinc/06/93/43/374069343.db2.gz YMRSRTHFHBKXKA-VXGBXAGGSA-N 2 2 270.377 -0.384 20 0 CBADLP COC[C@](C)(O)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000531258047 374124030 /nfs/dbraw/zinc/12/40/30/374124030.db2.gz BUAZHIOVZQSBHO-AWEZNQCLSA-N 2 2 287.404 -0.474 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH+]2CCO[C@H](C)C2)C1 ZINC000531295608 374126763 /nfs/dbraw/zinc/12/67/63/374126763.db2.gz UGIFWBSAUASQMM-CHWSQXEVSA-N 2 2 285.388 -0.456 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH+]2CCO[C@H](C)C2)C1 ZINC000531295608 374126770 /nfs/dbraw/zinc/12/67/70/374126770.db2.gz UGIFWBSAUASQMM-CHWSQXEVSA-N 2 2 285.388 -0.456 20 0 CBADLP CC[NH+]1CCO[C@@H](C(=O)NCC[N@@H+]2CCO[C@H](C)C2)C1 ZINC000531295608 374126779 /nfs/dbraw/zinc/12/67/79/374126779.db2.gz UGIFWBSAUASQMM-CHWSQXEVSA-N 2 2 285.388 -0.456 20 0 CBADLP CC[NH+]1CCO[C@@H](C(=O)NCC[N@H+]2CCO[C@H](C)C2)C1 ZINC000531295608 374126782 /nfs/dbraw/zinc/12/67/82/374126782.db2.gz UGIFWBSAUASQMM-CHWSQXEVSA-N 2 2 285.388 -0.456 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)[C@@H]2C[NH+](C)CCO2)CCO1 ZINC000531296241 374127244 /nfs/dbraw/zinc/12/72/44/374127244.db2.gz QEWFVSJWDCDRRH-RYUDHWBXSA-N 2 2 271.361 -0.846 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)[C@@H]2C[NH+](C)CCO2)CCO1 ZINC000531296241 374127247 /nfs/dbraw/zinc/12/72/47/374127247.db2.gz QEWFVSJWDCDRRH-RYUDHWBXSA-N 2 2 271.361 -0.846 20 0 CBADLP C[C@H]1C[NH+](CCNC(=O)[C@@H]2C[N@H+](C)CCO2)CCO1 ZINC000531296241 374127250 /nfs/dbraw/zinc/12/72/50/374127250.db2.gz QEWFVSJWDCDRRH-RYUDHWBXSA-N 2 2 271.361 -0.846 20 0 CBADLP C[C@H]1C[NH+](CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)CCO1 ZINC000531296241 374127258 /nfs/dbraw/zinc/12/72/58/374127258.db2.gz QEWFVSJWDCDRRH-RYUDHWBXSA-N 2 2 271.361 -0.846 20 0 CBADLP C[NH+](C)CCNC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000532775377 374175325 /nfs/dbraw/zinc/17/53/25/374175325.db2.gz WMVHRPOCQNBFSP-UHFFFAOYSA-N 2 2 260.301 -0.046 20 0 CBADLP C[C@@H]1CCC[N@H+](CC[NH2+]CCC(=O)NC(N)=O)C1 ZINC000548832088 374218267 /nfs/dbraw/zinc/21/82/67/374218267.db2.gz BHWMFBVAGLAMDN-SNVBAGLBSA-N 2 2 256.350 -0.107 20 0 CBADLP C[C@@H]1CCC[N@@H+](CC[NH2+]CCC(=O)NC(N)=O)C1 ZINC000548832088 374218273 /nfs/dbraw/zinc/21/82/73/374218273.db2.gz BHWMFBVAGLAMDN-SNVBAGLBSA-N 2 2 256.350 -0.107 20 0 CBADLP Cn1cc(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)nn1 ZINC000555267515 374287555 /nfs/dbraw/zinc/28/75/55/374287555.db2.gz INLSKILKQZGCKI-UHFFFAOYSA-N 2 2 295.391 -0.037 20 0 CBADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CCCCO)C[C@@H](C)O1 ZINC000563713228 374325249 /nfs/dbraw/zinc/32/52/49/374325249.db2.gz HDRLDWHYOKENSW-JHJVBQTASA-N 2 2 260.378 -0.181 20 0 CBADLP C[C@H]1C[N@H+](CCO)CCN1C(=O)Cn1cc[nH+]c1 ZINC000565107830 374329574 /nfs/dbraw/zinc/32/95/74/374329574.db2.gz PHBXZDDZJQEXRO-NSHDSACASA-N 2 2 252.318 -0.592 20 0 CBADLP C[C@H]1C[N@@H+](CCO)CCN1C(=O)Cn1cc[nH+]c1 ZINC000565107830 374329579 /nfs/dbraw/zinc/32/95/79/374329579.db2.gz PHBXZDDZJQEXRO-NSHDSACASA-N 2 2 252.318 -0.592 20 0 CBADLP CCn1cc[nH+]c1CN1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000566491741 374331228 /nfs/dbraw/zinc/33/12/28/374331228.db2.gz XKCDKUBPAAVTDD-GHMZBOCLSA-N 2 2 263.345 -0.353 20 0 CBADLP C[C@H](C(=O)N1CC[NH2+]C[C@@](C)(F)C1)N1CC[NH+](C)CC1 ZINC000577872661 374342693 /nfs/dbraw/zinc/34/26/93/374342693.db2.gz VZFIRFQWYYSFAP-TZMCWYRMSA-N 2 2 286.395 -0.218 20 0 CBADLP COC(=O)CC1(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC1 ZINC000577887107 374344245 /nfs/dbraw/zinc/34/42/45/374344245.db2.gz DYWBKUZYNLICAH-WDEREUQCSA-N 2 2 281.356 -0.427 20 0 CBADLP COC(=O)CC1(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC1 ZINC000577887107 374344249 /nfs/dbraw/zinc/34/42/49/374344249.db2.gz DYWBKUZYNLICAH-WDEREUQCSA-N 2 2 281.356 -0.427 20 0 CBADLP C[NH2+][C@@H](C)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000583273489 374359035 /nfs/dbraw/zinc/35/90/35/374359035.db2.gz SIFUGBJTBKZTTK-WCQYABFASA-N 2 2 287.429 -0.082 20 0 CBADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])[C@H](C[NH3+])C1 ZINC000583311916 374360552 /nfs/dbraw/zinc/36/05/52/374360552.db2.gz HPZSDJCLNMAQGJ-JHJVBQTASA-N 3 2 283.420 -0.212 20 0 CBADLP C[N@H+]1CCN(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])[C@H](C[NH3+])C1 ZINC000583311916 374360565 /nfs/dbraw/zinc/36/05/65/374360565.db2.gz HPZSDJCLNMAQGJ-JHJVBQTASA-N 3 2 283.420 -0.212 20 0 CBADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])[C@@H](C[NH3+])C1 ZINC000583311915 374361790 /nfs/dbraw/zinc/36/17/90/374361790.db2.gz HPZSDJCLNMAQGJ-FRRDWIJNSA-N 3 2 283.420 -0.212 20 0 CBADLP C[N@H+]1CCN(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])[C@@H](C[NH3+])C1 ZINC000583311915 374361793 /nfs/dbraw/zinc/36/17/93/374361793.db2.gz HPZSDJCLNMAQGJ-FRRDWIJNSA-N 3 2 283.420 -0.212 20 0 CBADLP C[C@H](Cn1cncn1)[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000583494794 374363550 /nfs/dbraw/zinc/36/35/50/374363550.db2.gz GIZKZIWVMBGPJR-MQYQWHSLSA-N 2 2 297.403 -0.274 20 0 CBADLP C[C@H](Cn1cncn1)[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000583494794 374363555 /nfs/dbraw/zinc/36/35/55/374363555.db2.gz GIZKZIWVMBGPJR-MQYQWHSLSA-N 2 2 297.403 -0.274 20 0 CBADLP C[C@H]1COCCN1CC[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000583495023 374363747 /nfs/dbraw/zinc/36/37/47/374363747.db2.gz NVANSKCSRGYGMJ-GXTWGEPZSA-N 2 2 271.405 -0.248 20 0 CBADLP C[C@H]1COCCN1CC[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000583495023 374363752 /nfs/dbraw/zinc/36/37/52/374363752.db2.gz NVANSKCSRGYGMJ-GXTWGEPZSA-N 2 2 271.405 -0.248 20 0 CBADLP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@H](N2CCNC2=O)C1)C1CC1 ZINC000583840984 374369268 /nfs/dbraw/zinc/36/92/68/374369268.db2.gz WYBNAMFHINRQFV-UONOGXRCSA-N 2 2 296.415 -0.069 20 0 CBADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@H](N2CCNC2=O)C1)C1CC1 ZINC000583840984 374369275 /nfs/dbraw/zinc/36/92/75/374369275.db2.gz WYBNAMFHINRQFV-UONOGXRCSA-N 2 2 296.415 -0.069 20 0 CBADLP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@H](N2CCNC2=O)C1)C1CC1 ZINC000583840984 374369279 /nfs/dbraw/zinc/36/92/79/374369279.db2.gz WYBNAMFHINRQFV-UONOGXRCSA-N 2 2 296.415 -0.069 20 0 CBADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@](O)(CC(N)=O)C1 ZINC000643807694 374434645 /nfs/dbraw/zinc/43/46/45/374434645.db2.gz ZETQRQLFEJYGDS-ZDUSSCGKSA-N 2 2 266.345 -0.106 20 0 CBADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@](O)(CC(N)=O)C1 ZINC000643807694 374434655 /nfs/dbraw/zinc/43/46/55/374434655.db2.gz ZETQRQLFEJYGDS-ZDUSSCGKSA-N 2 2 266.345 -0.106 20 0 CBADLP CN(C)c1[nH+]cc(C[N@@H+]2CCC[C@](O)(CC(N)=O)C2)n1C ZINC000643747515 374406128 /nfs/dbraw/zinc/40/61/28/374406128.db2.gz IAIAJJRZGUHGSP-AWEZNQCLSA-N 2 2 295.387 -0.312 20 0 CBADLP CN(C)c1[nH+]cc(C[N@H+]2CCC[C@](O)(CC(N)=O)C2)n1C ZINC000643747515 374406130 /nfs/dbraw/zinc/40/61/30/374406130.db2.gz IAIAJJRZGUHGSP-AWEZNQCLSA-N 2 2 295.387 -0.312 20 0 CBADLP CC(C)[N@H+](C)C[C@H](C)NC[C@H](O)CN1CC[NH+](C)CC1 ZINC000574513598 335025165 /nfs/dbraw/zinc/02/51/65/335025165.db2.gz YKSZYNAJWKVIEP-GJZGRUSLSA-N 2 2 286.464 -0.087 20 0 CBADLP CCN1CC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)C1=O ZINC000644642678 374604961 /nfs/dbraw/zinc/60/49/61/374604961.db2.gz NBFMUWFOBOWIBO-NEPJUHHUSA-N 2 2 255.362 -0.348 20 0 CBADLP CCN1CC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)C1=O ZINC000644642678 374604965 /nfs/dbraw/zinc/60/49/65/374604965.db2.gz NBFMUWFOBOWIBO-NEPJUHHUSA-N 2 2 255.362 -0.348 20 0 CBADLP CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@H]2CC[NH2+]CC2(F)F)C1 ZINC000644543908 374591947 /nfs/dbraw/zinc/59/19/47/374591947.db2.gz SZTRKUBLRURAEF-KXUCPTDWSA-N 2 2 277.315 -0.276 20 0 CBADLP COCCN1CC[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000644554025 374592578 /nfs/dbraw/zinc/59/25/78/374592578.db2.gz FMYCYTITOFWGIG-TZMCWYRMSA-N 2 2 271.405 -0.248 20 0 CBADLP COCCN1CC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000644554025 374592581 /nfs/dbraw/zinc/59/25/81/374592581.db2.gz FMYCYTITOFWGIG-TZMCWYRMSA-N 2 2 271.405 -0.248 20 0 CBADLP CN(C)c1[nH+]cc(C[NH2+]C[C@H](O)CN2CCCC2=O)n1C ZINC000644562544 374595184 /nfs/dbraw/zinc/59/51/84/374595184.db2.gz YUQWQOGAILCGCU-LBPRGKRZSA-N 2 2 295.387 -0.441 20 0 CBADLP C[C@@H](CC[NH+](C)C)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000644562838 374595193 /nfs/dbraw/zinc/59/51/93/374595193.db2.gz BOGFFKRTFVLIAN-UONOGXRCSA-N 3 2 272.437 -0.476 20 0 CBADLP CC[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)C(=O)N1CCOCC1 ZINC000644586162 374599851 /nfs/dbraw/zinc/59/98/51/374599851.db2.gz MJIKWYSVNFLEEF-UONOGXRCSA-N 2 2 299.415 -0.332 20 0 CBADLP CC[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)C(=O)N1CCOCC1 ZINC000644586162 374599854 /nfs/dbraw/zinc/59/98/54/374599854.db2.gz MJIKWYSVNFLEEF-UONOGXRCSA-N 2 2 299.415 -0.332 20 0 CBADLP COC[C@H](C[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1)OC ZINC000644618979 374603009 /nfs/dbraw/zinc/60/30/09/374603009.db2.gz HNXYUHGCMHFYDL-RQJABVFESA-N 2 2 290.404 -0.293 20 0 CBADLP COC[C@H](C[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)OC ZINC000644618979 374603013 /nfs/dbraw/zinc/60/30/13/374603013.db2.gz HNXYUHGCMHFYDL-RQJABVFESA-N 2 2 290.404 -0.293 20 0 CBADLP CC(C)[C@H](C(=O)N[C@@H](CO)C[NH+]1CCOCC1)[NH+](C)C ZINC000644886142 374630982 /nfs/dbraw/zinc/63/09/82/374630982.db2.gz ZWBDRNVBKHTWLY-CHWSQXEVSA-N 2 2 287.404 -0.618 20 0 CBADLP CN(C)c1ccc(CNC(=O)COCC[NH3+])c[nH+]1 ZINC000645430984 374669182 /nfs/dbraw/zinc/66/91/82/374669182.db2.gz IHCVMKADBVRLRV-UHFFFAOYSA-N 2 2 252.318 -0.261 20 0 CBADLP C[NH+](C)C[C@H](CO)NC(=O)CCCn1cc[nH+]c1 ZINC000646209242 374755276 /nfs/dbraw/zinc/75/52/76/374755276.db2.gz CEKVSDVBJHQOCR-LLVKDONJSA-N 2 2 254.334 -0.298 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC000646220368 374759744 /nfs/dbraw/zinc/75/97/44/374759744.db2.gz TUBANCGJHQSBJN-GFCCVEGCSA-N 2 2 280.372 -0.074 20 0 CBADLP O=C(Nc1cc[nH+]cc1O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000645952555 374718098 /nfs/dbraw/zinc/71/80/98/374718098.db2.gz YCKTYRMUSDKVJI-VIFPVBQESA-N 2 2 288.311 -0.023 20 0 CBADLP C[NH2+]CC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000645977965 374720540 /nfs/dbraw/zinc/72/05/40/374720540.db2.gz OWVFOAAPYGDFAE-LLVKDONJSA-N 3 2 254.378 -0.510 20 0 CBADLP C[NH2+]CC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000645977965 374720543 /nfs/dbraw/zinc/72/05/43/374720543.db2.gz OWVFOAAPYGDFAE-LLVKDONJSA-N 3 2 254.378 -0.510 20 0 CBADLP C[C@H](C[NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000645978124 374721081 /nfs/dbraw/zinc/72/10/81/374721081.db2.gz SNOMYCKMLFPCEN-VXGBXAGGSA-N 3 2 268.405 -0.134 20 0 CBADLP C[C@H](C[NH3+])C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000645978124 374721084 /nfs/dbraw/zinc/72/10/84/374721084.db2.gz SNOMYCKMLFPCEN-VXGBXAGGSA-N 3 2 268.405 -0.134 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H]3CC[NH2+]3)C2)CC1 ZINC000645977749 374721155 /nfs/dbraw/zinc/72/11/55/374721155.db2.gz KYWVUKOKOKEHRG-DGCLKSJQSA-N 3 2 266.389 -0.367 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@H]3CC[NH2+]3)C2)CC1 ZINC000645977749 374721160 /nfs/dbraw/zinc/72/11/60/374721160.db2.gz KYWVUKOKOKEHRG-DGCLKSJQSA-N 3 2 266.389 -0.367 20 0 CBADLP Cn1c[nH+]cc1CC[N@H+](C)CCN1CCCS1(=O)=O ZINC000645984622 374722998 /nfs/dbraw/zinc/72/29/98/374722998.db2.gz TVSXFSPUKOZWAN-UHFFFAOYSA-N 2 2 286.401 -0.070 20 0 CBADLP Cn1c[nH+]cc1CC[N@@H+](C)CCN1CCCS1(=O)=O ZINC000645984622 374723002 /nfs/dbraw/zinc/72/30/02/374723002.db2.gz TVSXFSPUKOZWAN-UHFFFAOYSA-N 2 2 286.401 -0.070 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H]3C[NH2+]CCO3)C2)CC1 ZINC000645978193 374723116 /nfs/dbraw/zinc/72/31/16/374723116.db2.gz WPNSKPBMYLMKKS-TZMCWYRMSA-N 3 2 296.415 -0.741 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@H]3C[NH2+]CCO3)C2)CC1 ZINC000645978193 374723118 /nfs/dbraw/zinc/72/31/18/374723118.db2.gz WPNSKPBMYLMKKS-TZMCWYRMSA-N 3 2 296.415 -0.741 20 0 CBADLP C[NH+]1CCC2(CC1)C[N@H+](CC(=O)N1CCOCC1)CCO2 ZINC000646102182 374740245 /nfs/dbraw/zinc/74/02/45/374740245.db2.gz DPIWYXQKVWHGNO-UHFFFAOYSA-N 2 2 297.399 -0.358 20 0 CBADLP C[NH+]1CCC2(CC1)C[N@@H+](CC(=O)N1CCOCC1)CCO2 ZINC000646102182 374740247 /nfs/dbraw/zinc/74/02/47/374740247.db2.gz DPIWYXQKVWHGNO-UHFFFAOYSA-N 2 2 297.399 -0.358 20 0 CBADLP CCNC(=O)C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646102427 374740329 /nfs/dbraw/zinc/74/03/29/374740329.db2.gz JNXGDTLSQPWITM-UHFFFAOYSA-N 2 2 255.362 -0.081 20 0 CBADLP CCNC(=O)C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646102427 374740332 /nfs/dbraw/zinc/74/03/32/374740332.db2.gz JNXGDTLSQPWITM-UHFFFAOYSA-N 2 2 255.362 -0.081 20 0 CBADLP C[N@@H+]1CCCC[C@@H]1C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000646802783 374817655 /nfs/dbraw/zinc/81/76/55/374817655.db2.gz GNWSFXQDTFVUHM-SNVBAGLBSA-N 2 2 293.375 -0.363 20 0 CBADLP C[N@H+]1CCCC[C@@H]1C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000646802783 374817660 /nfs/dbraw/zinc/81/76/60/374817660.db2.gz GNWSFXQDTFVUHM-SNVBAGLBSA-N 2 2 293.375 -0.363 20 0 CBADLP C[N@@H+]1CCN(C(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)[C@@H](C[NH3+])C1 ZINC000646833188 374821737 /nfs/dbraw/zinc/82/17/37/374821737.db2.gz NIYBDIZYCRIQMU-MELADBBJSA-N 3 2 280.416 -0.277 20 0 CBADLP C[N@H+]1CCN(C(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)[C@@H](C[NH3+])C1 ZINC000646833188 374821744 /nfs/dbraw/zinc/82/17/44/374821744.db2.gz NIYBDIZYCRIQMU-MELADBBJSA-N 3 2 280.416 -0.277 20 0 CBADLP C[N@@H+]1CCN(C(=O)CCN2CCCC2=O)[C@@H](C[NH3+])C1 ZINC000646835353 374821807 /nfs/dbraw/zinc/82/18/07/374821807.db2.gz MWQDAPFRMHPQDR-NSHDSACASA-N 2 2 268.361 -0.900 20 0 CBADLP C[N@H+]1CCN(C(=O)CCN2CCCC2=O)[C@@H](C[NH3+])C1 ZINC000646835353 374821813 /nfs/dbraw/zinc/82/18/13/374821813.db2.gz MWQDAPFRMHPQDR-NSHDSACASA-N 2 2 268.361 -0.900 20 0 CBADLP C[N@@H+]1CCN(C(=O)[C@@H]2CC23CCOCC3)[C@@H](C[NH3+])C1 ZINC000646831915 374822027 /nfs/dbraw/zinc/82/20/27/374822027.db2.gz IQKJSCSHIAQUEC-RYUDHWBXSA-N 2 2 267.373 -0.096 20 0 CBADLP C[N@H+]1CCN(C(=O)[C@@H]2CC23CCOCC3)[C@@H](C[NH3+])C1 ZINC000646831915 374822033 /nfs/dbraw/zinc/82/20/33/374822033.db2.gz IQKJSCSHIAQUEC-RYUDHWBXSA-N 2 2 267.373 -0.096 20 0 CBADLP C[N@@H+]1CCN(C(=O)[C@@H]2C[C@@]23CC[NH2+]C3)[C@@H](C[NH3+])C1 ZINC000646833247 374822551 /nfs/dbraw/zinc/82/25/51/374822551.db2.gz XSAHSPCFHDRGCZ-GMXVVIOVSA-N 3 2 252.362 -0.913 20 0 CBADLP C[N@H+]1CCN(C(=O)[C@@H]2C[C@@]23CC[NH2+]C3)[C@@H](C[NH3+])C1 ZINC000646833247 374822553 /nfs/dbraw/zinc/82/25/53/374822553.db2.gz XSAHSPCFHDRGCZ-GMXVVIOVSA-N 3 2 252.362 -0.913 20 0 CBADLP C[N@@H+]1CCN(C(=O)[C@@H]2C[C@]23CC[NH2+]C3)[C@@H](C[NH3+])C1 ZINC000646833249 374822630 /nfs/dbraw/zinc/82/26/30/374822630.db2.gz XSAHSPCFHDRGCZ-GVXVVHGQSA-N 3 2 252.362 -0.913 20 0 CBADLP C[N@H+]1CCN(C(=O)[C@@H]2C[C@]23CC[NH2+]C3)[C@@H](C[NH3+])C1 ZINC000646833249 374822636 /nfs/dbraw/zinc/82/26/36/374822636.db2.gz XSAHSPCFHDRGCZ-GVXVVHGQSA-N 3 2 252.362 -0.913 20 0 CBADLP C[N@@H+]1CCN(C(=O)CCn2ccccc2=O)[C@@H](C[NH3+])C1 ZINC000646836307 374823752 /nfs/dbraw/zinc/82/37/52/374823752.db2.gz MPRICEYOGXJPBR-LBPRGKRZSA-N 2 2 278.356 -0.660 20 0 CBADLP C[N@H+]1CCN(C(=O)CCn2ccccc2=O)[C@@H](C[NH3+])C1 ZINC000646836307 374823756 /nfs/dbraw/zinc/82/37/56/374823756.db2.gz MPRICEYOGXJPBR-LBPRGKRZSA-N 2 2 278.356 -0.660 20 0 CBADLP C[NH+](C)[C@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@@H]1O ZINC000646306465 374769396 /nfs/dbraw/zinc/76/93/96/374769396.db2.gz HLRLPTBBBBHLFF-RYUDHWBXSA-N 2 2 266.345 -0.203 20 0 CBADLP C[NH+]1CCN(C(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)CC1 ZINC000646391720 374775505 /nfs/dbraw/zinc/77/55/05/374775505.db2.gz MCKLAKHRRMJTAY-NSHDSACASA-N 2 2 278.360 -0.582 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000646985985 374856122 /nfs/dbraw/zinc/85/61/22/374856122.db2.gz OOYLOAAAZHGGOZ-GFCCVEGCSA-N 2 2 284.404 -0.299 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000646985985 374856129 /nfs/dbraw/zinc/85/61/29/374856129.db2.gz OOYLOAAAZHGGOZ-GFCCVEGCSA-N 2 2 284.404 -0.299 20 0 CBADLP C[C@@H]1CC[N@H+](CC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)C1 ZINC000574582609 335031795 /nfs/dbraw/zinc/03/17/95/335031795.db2.gz JSMLVAAJDXNPOY-UKRRQHHQSA-N 2 2 299.415 -0.472 20 0 CBADLP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)C1 ZINC000574582609 335031798 /nfs/dbraw/zinc/03/17/98/335031798.db2.gz JSMLVAAJDXNPOY-UKRRQHHQSA-N 2 2 299.415 -0.472 20 0 CBADLP CCN(CC)c1ccc(CNC(=O)CNC(=O)C[NH3+])c[nH+]1 ZINC000262471651 190055607 /nfs/dbraw/zinc/05/56/07/190055607.db2.gz ZEALTIARJBPNQM-UHFFFAOYSA-N 2 2 293.371 -0.381 20 0 CBADLP C[NH2+][C@@H](C(=O)N[C@@H](C)C[NH+]1CCOCC1)c1cnn(C)c1 ZINC000262532629 190057022 /nfs/dbraw/zinc/05/70/22/190057022.db2.gz MFBZLXHDDCPTFB-WCQYABFASA-N 2 2 295.387 -0.483 20 0 CBADLP C[NH2+][C@H](C(=O)N1CC[NH+](C2CC2)CC1)c1cnn(C)c1 ZINC000262602816 190058595 /nfs/dbraw/zinc/05/85/95/190058595.db2.gz XXKYLKAVUZKPCF-ZDUSSCGKSA-N 2 2 277.372 -0.013 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)CCn2cc[nH+]c2)CC1 ZINC000263699195 190073841 /nfs/dbraw/zinc/07/38/41/190073841.db2.gz RVGHDZZLQRMHPS-UHFFFAOYSA-N 2 2 293.371 -0.447 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N(CC[NH+](C)C)C1CC1 ZINC000356281104 248227632 /nfs/dbraw/zinc/22/76/32/248227632.db2.gz NONNRLTZAAGOJL-UHFFFAOYSA-N 2 2 298.431 -0.005 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N(CC[NH+](C)C)C1CC1 ZINC000356281104 248227644 /nfs/dbraw/zinc/22/76/44/248227644.db2.gz NONNRLTZAAGOJL-UHFFFAOYSA-N 2 2 298.431 -0.005 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](C[C@H](C)O)CC2)C1 ZINC000356462693 248253083 /nfs/dbraw/zinc/25/30/83/248253083.db2.gz PEBYISMLYQDPBI-QWHCGFSZSA-N 2 2 285.388 -0.768 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](C[C@H](C)O)CC2)C1 ZINC000356462693 248253088 /nfs/dbraw/zinc/25/30/88/248253088.db2.gz PEBYISMLYQDPBI-QWHCGFSZSA-N 2 2 285.388 -0.768 20 0 CBADLP C[C@H](O)C[NH+]1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000356466655 248255578 /nfs/dbraw/zinc/25/55/78/248255578.db2.gz UATNOVJFAOOSRT-NSHDSACASA-N 2 2 266.345 -0.133 20 0 CBADLP Cc1nc(C)n(C[C@@H]2C[N@H+](CCOCC[NH3+])CCO2)n1 ZINC000357072616 248318553 /nfs/dbraw/zinc/31/85/53/248318553.db2.gz KYZHYTDADUFZFV-ZDUSSCGKSA-N 2 2 283.376 -0.429 20 0 CBADLP Cc1nc(C)n(C[C@@H]2C[N@@H+](CCOCC[NH3+])CCO2)n1 ZINC000357072616 248318557 /nfs/dbraw/zinc/31/85/57/248318557.db2.gz KYZHYTDADUFZFV-ZDUSSCGKSA-N 2 2 283.376 -0.429 20 0 CBADLP COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357086965 248319475 /nfs/dbraw/zinc/31/94/75/248319475.db2.gz RXMFUKKMSGNMQN-SRVKXCTJSA-N 2 2 298.387 -0.612 20 0 CBADLP COC[C@H](C)NC(=O)NC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357086965 248319476 /nfs/dbraw/zinc/31/94/76/248319476.db2.gz RXMFUKKMSGNMQN-SRVKXCTJSA-N 2 2 298.387 -0.612 20 0 CBADLP CCOCCNC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357070192 248320284 /nfs/dbraw/zinc/32/02/84/248320284.db2.gz AFPIHRVQIBYPKA-NWDGAFQWSA-N 2 2 255.362 -0.320 20 0 CBADLP CCOCCNC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357070192 248320287 /nfs/dbraw/zinc/32/02/87/248320287.db2.gz AFPIHRVQIBYPKA-NWDGAFQWSA-N 2 2 255.362 -0.320 20 0 CBADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](CCO)[C@@H](C)C2)C1 ZINC000356530516 248264866 /nfs/dbraw/zinc/26/48/66/248264866.db2.gz PZQITRQQUMBJDU-UONOGXRCSA-N 2 2 299.415 -0.379 20 0 CBADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](CCO)[C@@H](C)C2)C1 ZINC000356530516 248264870 /nfs/dbraw/zinc/26/48/70/248264870.db2.gz PZQITRQQUMBJDU-UONOGXRCSA-N 2 2 299.415 -0.379 20 0 CBADLP CC(C)[NH+]1CCO[C@@H](C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)C1 ZINC000356530516 248264876 /nfs/dbraw/zinc/26/48/76/248264876.db2.gz PZQITRQQUMBJDU-UONOGXRCSA-N 2 2 299.415 -0.379 20 0 CBADLP CC(C)[NH+]1CCO[C@@H](C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)C1 ZINC000356530516 248264881 /nfs/dbraw/zinc/26/48/81/248264881.db2.gz PZQITRQQUMBJDU-UONOGXRCSA-N 2 2 299.415 -0.379 20 0 CBADLP CN(C)C(=O)CC[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357644123 248387223 /nfs/dbraw/zinc/38/72/23/248387223.db2.gz BVSPQBZLXKFELU-UHFFFAOYSA-N 2 2 257.378 -0.147 20 0 CBADLP CN(C)C(=O)CC[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357644123 248387231 /nfs/dbraw/zinc/38/72/31/248387231.db2.gz BVSPQBZLXKFELU-UHFFFAOYSA-N 2 2 257.378 -0.147 20 0 CBADLP C[C@H](C(=O)N(C)C)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357721766 248397278 /nfs/dbraw/zinc/39/72/78/248397278.db2.gz NIBAUULDDUVPBB-LLVKDONJSA-N 2 2 257.378 -0.148 20 0 CBADLP C[C@H](C(=O)N(C)C)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357721766 248397282 /nfs/dbraw/zinc/39/72/82/248397282.db2.gz NIBAUULDDUVPBB-LLVKDONJSA-N 2 2 257.378 -0.148 20 0 CBADLP NC(=O)C1([NH+]2CCN(C(=O)C3C[NH2+]C3)CC2)CCCC1 ZINC000367866366 248754553 /nfs/dbraw/zinc/75/45/53/248754553.db2.gz YMSTZNONOGYCMA-UHFFFAOYSA-N 2 2 280.372 -0.852 20 0 CBADLP CC[NH+]1CCN([C@H](C)CNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000346156990 217820721 /nfs/dbraw/zinc/82/07/21/217820721.db2.gz SXHDSCYQAQCYKG-ZIAGYGMSSA-N 2 2 298.431 -0.541 20 0 CBADLP CC[NH+]1CCN([C@H](C)CNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000346156990 217820724 /nfs/dbraw/zinc/82/07/24/217820724.db2.gz SXHDSCYQAQCYKG-ZIAGYGMSSA-N 2 2 298.431 -0.541 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000653129908 412885453 /nfs/dbraw/zinc/88/54/53/412885453.db2.gz NONWCSYXQILUDZ-RNJOBUHISA-N 3 2 268.405 -0.149 20 0 CBADLP C[C@@H](C(=O)N1CC[N@H+](C)C[C@H]1C)N1CC[NH+](C)CC1 ZINC000346247944 217852630 /nfs/dbraw/zinc/85/26/30/217852630.db2.gz WQRCEYMLCAKREA-OLZOCXBDSA-N 2 2 268.405 -0.215 20 0 CBADLP C[C@@H](C(=O)N1CC[N@@H+](C)C[C@H]1C)N1CC[NH+](C)CC1 ZINC000346247944 217852632 /nfs/dbraw/zinc/85/26/32/217852632.db2.gz WQRCEYMLCAKREA-OLZOCXBDSA-N 2 2 268.405 -0.215 20 0 CBADLP COCC(=O)N1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000346845282 218034672 /nfs/dbraw/zinc/03/46/72/218034672.db2.gz MPYNAVCKEXTKRF-GFCCVEGCSA-N 2 2 255.362 -0.223 20 0 CBADLP CC(C)NC(=O)C[NH+]1CCN(CC(C)(C)[NH3+])CC1 ZINC000346831567 218028608 /nfs/dbraw/zinc/02/86/08/218028608.db2.gz QBXPNBARVGXQHL-UHFFFAOYSA-N 2 2 256.394 -0.134 20 0 CBADLP CN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@H]1C[NH+]2CCC1CC2 ZINC000346958906 218069815 /nfs/dbraw/zinc/06/98/15/218069815.db2.gz DDMOPBRRSOCDMW-QWHCGFSZSA-N 2 2 267.373 -0.130 20 0 CBADLP CN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@H]1C[NH+]2CCC1CC2 ZINC000346958906 218069818 /nfs/dbraw/zinc/06/98/18/218069818.db2.gz DDMOPBRRSOCDMW-QWHCGFSZSA-N 2 2 267.373 -0.130 20 0 CBADLP C[C@H](O)C(=O)N1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000346999670 218087529 /nfs/dbraw/zinc/08/75/29/218087529.db2.gz YWELMNIHBQVCLQ-NWDGAFQWSA-N 2 2 255.362 -0.489 20 0 CBADLP C[C@H](CO)[N@@H+]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000347120513 218129794 /nfs/dbraw/zinc/12/97/94/218129794.db2.gz BAJUMAXTEIISLH-OLZOCXBDSA-N 2 2 285.388 -0.768 20 0 CBADLP C[C@H](CO)[N@H+]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000347120513 218129797 /nfs/dbraw/zinc/12/97/97/218129797.db2.gz BAJUMAXTEIISLH-OLZOCXBDSA-N 2 2 285.388 -0.768 20 0 CBADLP C[C@H](CO)[NH+]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000347120513 218129799 /nfs/dbraw/zinc/12/97/99/218129799.db2.gz BAJUMAXTEIISLH-OLZOCXBDSA-N 2 2 285.388 -0.768 20 0 CBADLP C[C@H](CO)[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000347120513 218129800 /nfs/dbraw/zinc/12/98/00/218129800.db2.gz BAJUMAXTEIISLH-OLZOCXBDSA-N 2 2 285.388 -0.768 20 0 CBADLP CCC[N@H+](Cc1cn(C)c(=O)n(C)c1=O)[C@@H]1CC[NH2+]C1 ZINC000347200615 218153807 /nfs/dbraw/zinc/15/38/07/218153807.db2.gz JWHDLVDPPNYJOH-GFCCVEGCSA-N 2 2 280.372 -0.342 20 0 CBADLP CCC[N@@H+](Cc1cn(C)c(=O)n(C)c1=O)[C@@H]1CC[NH2+]C1 ZINC000347200615 218153809 /nfs/dbraw/zinc/15/38/09/218153809.db2.gz JWHDLVDPPNYJOH-GFCCVEGCSA-N 2 2 280.372 -0.342 20 0 CBADLP O[C@H]1C[NH+](Cc2ccc(-n3cc[nH+]c3)nc2)C[C@@H]1O ZINC000278772417 194148146 /nfs/dbraw/zinc/14/81/46/194148146.db2.gz NFZLKAPUROLIJN-RYUDHWBXSA-N 2 2 260.297 -0.195 20 0 CBADLP C[C@H]1CN(c2ccc(CNC(=O)C[NH3+])c[nH+]2)CCO1 ZINC000347481124 218250522 /nfs/dbraw/zinc/25/05/22/218250522.db2.gz TUCHTRLOQYLURB-JTQLQIEISA-N 2 2 264.329 -0.118 20 0 CBADLP O=C(C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)N1CCNC(=O)C1 ZINC000266781412 190280191 /nfs/dbraw/zinc/28/01/91/190280191.db2.gz VGNUJVLOIWNVGA-UHFFFAOYSA-N 2 2 291.355 -0.453 20 0 CBADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000267129186 190305550 /nfs/dbraw/zinc/30/55/50/190305550.db2.gz LEPMXUHJTMETGX-UHFFFAOYSA-N 2 2 293.371 -0.319 20 0 CBADLP C[C@H]1C[N@H+](CCc2c[nH+]cn2C)C[C@H](C(N)=O)O1 ZINC000347749927 218344864 /nfs/dbraw/zinc/34/48/64/218344864.db2.gz NXGUDHDXDOMTGJ-GXSJLCMTSA-N 2 2 252.318 -0.463 20 0 CBADLP C[C@H]1C[N@@H+](CCc2c[nH+]cn2C)C[C@H](C(N)=O)O1 ZINC000347749927 218344866 /nfs/dbraw/zinc/34/48/66/218344866.db2.gz NXGUDHDXDOMTGJ-GXSJLCMTSA-N 2 2 252.318 -0.463 20 0 CBADLP Cn1c[nH+]cc1CN1CCN(C(=O)C[NH+](C)C)CC1 ZINC000267584041 190339580 /nfs/dbraw/zinc/33/95/80/190339580.db2.gz HQPYPUJLJGXOOO-UHFFFAOYSA-N 2 2 265.361 -0.374 20 0 CBADLP Nc1nc(-n2cccn2)cc(NCC[NH+]2CCOCC2)[nH+]1 ZINC000268399207 190399587 /nfs/dbraw/zinc/39/95/87/190399587.db2.gz MQPKLFPGZHPGJO-UHFFFAOYSA-N 2 2 289.343 -0.011 20 0 CBADLP CNC(=O)[C@@H]1CCCC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000093170518 207365489 /nfs/dbraw/zinc/36/54/89/207365489.db2.gz RGWYKEFUCHVEOM-LBPRGKRZSA-N 2 2 282.388 -0.639 20 0 CBADLP CNC(=O)[C@@H]1CCCC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000093170518 207365496 /nfs/dbraw/zinc/36/54/96/207365496.db2.gz RGWYKEFUCHVEOM-LBPRGKRZSA-N 2 2 282.388 -0.639 20 0 CBADLP C[C@H]1C[C@@H]([NH+](C)CCN2C(=O)CNC2=O)CC[N@@H+]1C ZINC000123785193 207370095 /nfs/dbraw/zinc/37/00/95/207370095.db2.gz AQGPMFFEXXTUIA-QWRGUYRKSA-N 2 2 268.361 -0.047 20 0 CBADLP C[C@H]1C[C@@H]([NH+](C)CCN2C(=O)CNC2=O)CC[N@H+]1C ZINC000123785193 207370100 /nfs/dbraw/zinc/37/01/00/207370100.db2.gz AQGPMFFEXXTUIA-QWRGUYRKSA-N 2 2 268.361 -0.047 20 0 CBADLP C[C@H]1C[C@@H]([N@H+](C)CCN2C(=O)CNC2=O)CC[NH+]1C ZINC000123785193 207370107 /nfs/dbraw/zinc/37/01/07/207370107.db2.gz AQGPMFFEXXTUIA-QWRGUYRKSA-N 2 2 268.361 -0.047 20 0 CBADLP C[C@H]1C[C@@H]([N@@H+](C)CCN2C(=O)CNC2=O)CC[NH+]1C ZINC000123785193 207370112 /nfs/dbraw/zinc/37/01/12/207370112.db2.gz AQGPMFFEXXTUIA-QWRGUYRKSA-N 2 2 268.361 -0.047 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)NCCC[NH+]1CCCCCC1 ZINC000163612922 207396894 /nfs/dbraw/zinc/39/68/94/207396894.db2.gz YXDKHLXFSJFPLJ-UHFFFAOYSA-N 2 2 296.415 -0.200 20 0 CBADLP CC(C)C[NH+]1CCN(C[C@H](O)C[NH+]2CCOCC2)CC1 ZINC000163884735 207398803 /nfs/dbraw/zinc/39/88/03/207398803.db2.gz IRMKLVBRYHXBKO-HNNXBMFYSA-N 2 2 285.432 -0.047 20 0 CBADLP CC[C@H]1CN(C(=O)[C@H]2CSC[NH2+]2)CC[N@@H+]1C[C@@H](C)O ZINC000168001328 207399031 /nfs/dbraw/zinc/39/90/31/207399031.db2.gz QCZJSUJNICKFRI-GRYCIOLGSA-N 2 2 287.429 -0.048 20 0 CBADLP CC[C@H]1CN(C(=O)[C@H]2CSC[NH2+]2)CC[N@H+]1C[C@@H](C)O ZINC000168001328 207399034 /nfs/dbraw/zinc/39/90/34/207399034.db2.gz QCZJSUJNICKFRI-GRYCIOLGSA-N 2 2 287.429 -0.048 20 0 CBADLP C[C@@H](CNC(=O)C[C@H]1C[NH2+]CCO1)[NH+]1CCOCC1 ZINC000164913804 207399490 /nfs/dbraw/zinc/39/94/90/207399490.db2.gz HYOOBKRIOFJLCS-RYUDHWBXSA-N 2 2 271.361 -0.798 20 0 CBADLP CC(C)[C@H]([NH3+])CNC(=O)NCC[NH+]1CCOCC1 ZINC000416430621 207541903 /nfs/dbraw/zinc/54/19/03/207541903.db2.gz CZYYTSUTWCSGQU-LLVKDONJSA-N 2 2 258.366 -0.399 20 0 CBADLP C[C@@H](NC(=O)C=Cc1c[nH]c[nH+]1)C(=O)NCC[NH+](C)C ZINC000493744177 533019258 /nfs/dbraw/zinc/01/92/58/533019258.db2.gz FTOLPRQZOJNKIW-ORAHPGNNSA-N 2 2 279.344 -0.395 20 0 CBADLP CC(C)[C@@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000428043157 208076811 /nfs/dbraw/zinc/07/68/11/208076811.db2.gz FNUOTWIWDAAYDF-NWDGAFQWSA-N 2 2 255.362 -0.051 20 0 CBADLP CC(C)[C@@H]([NH3+])C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000428043157 208076814 /nfs/dbraw/zinc/07/68/14/208076814.db2.gz FNUOTWIWDAAYDF-NWDGAFQWSA-N 2 2 255.362 -0.051 20 0 CBADLP C[C@H](C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1)[NH+]1CCOCC1 ZINC000429153766 208111966 /nfs/dbraw/zinc/11/19/66/208111966.db2.gz WTAYOBYMKDXLSF-IJLUTSLNSA-N 2 2 255.362 -0.097 20 0 CBADLP CN(C)c1[nH+]cc(CNC(=O)[C@H]2C[NH2+]CCO2)n1C ZINC000430719504 208177011 /nfs/dbraw/zinc/17/70/11/208177011.db2.gz JTJMXQHCZRPXFZ-SNVBAGLBSA-N 2 2 267.333 -0.909 20 0 CBADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)NCC(=O)N1CCCC1 ZINC000430575952 208165512 /nfs/dbraw/zinc/16/55/12/208165512.db2.gz WDDRUAZAHIWBKO-CQSZACIVSA-N 2 2 284.404 -0.312 20 0 CBADLP COC[C@@H](C)NC(=O)NC(=O)C[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000430559147 208165628 /nfs/dbraw/zinc/16/56/28/208165628.db2.gz SGDRWPJXXKDRLJ-MFKMUULPSA-N 2 2 288.392 -0.190 20 0 CBADLP COC[C@H](C)NC(=O)NC(=O)C[N@H+](C)C1CC[NH2+]CC1 ZINC000430600334 208167365 /nfs/dbraw/zinc/16/73/65/208167365.db2.gz HNCDEUROMUZWEO-JTQLQIEISA-N 2 2 286.376 -0.469 20 0 CBADLP COC[C@H](C)NC(=O)NC(=O)C[N@@H+](C)C1CC[NH2+]CC1 ZINC000430600334 208167370 /nfs/dbraw/zinc/16/73/70/208167370.db2.gz HNCDEUROMUZWEO-JTQLQIEISA-N 2 2 286.376 -0.469 20 0 CBADLP COC1CC[NH+](C(C)(C)CNC(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000430705745 208170984 /nfs/dbraw/zinc/17/09/84/208170984.db2.gz BIDZHPFFSCHTAP-ZDUSSCGKSA-N 2 2 299.415 -0.020 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000430676842 208173361 /nfs/dbraw/zinc/17/33/61/208173361.db2.gz FDZCVMFLVNOCKR-NEPJUHHUSA-N 2 2 280.372 -0.839 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000430676842 208173366 /nfs/dbraw/zinc/17/33/66/208173366.db2.gz FDZCVMFLVNOCKR-NEPJUHHUSA-N 2 2 280.372 -0.839 20 0 CBADLP CN(C)c1[nH+]cc(CNC(=O)[C@@H]2C[NH2+]CCO2)n1C ZINC000430719503 208174672 /nfs/dbraw/zinc/17/46/72/208174672.db2.gz JTJMXQHCZRPXFZ-JTQLQIEISA-N 2 2 267.333 -0.909 20 0 CBADLP C[C@@H](NC(=O)COC1C[NH2+]C1)[C@@H](C)[NH+]1CCOCC1 ZINC000430718554 208176747 /nfs/dbraw/zinc/17/67/47/208176747.db2.gz CQYLUZFGGAXUNO-GHMZBOCLSA-N 2 2 271.361 -0.800 20 0 CBADLP CC[C@@H](C)[C@@H]([NH3+])C(=O)NCC[NH+]1CCN(C(C)=O)CC1 ZINC000430744560 208179834 /nfs/dbraw/zinc/17/98/34/208179834.db2.gz ODMSEUXCSKSCFC-DGCLKSJQSA-N 2 2 284.404 -0.360 20 0 CBADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000430801321 208181234 /nfs/dbraw/zinc/18/12/34/208181234.db2.gz YYLYJLVWYOLZQR-QWRGUYRKSA-N 2 2 282.388 -0.478 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000430893317 208185975 /nfs/dbraw/zinc/18/59/75/208185975.db2.gz IJIVYYXNDQWWSQ-NEPJUHHUSA-N 2 2 255.362 -0.035 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000430893317 208185982 /nfs/dbraw/zinc/18/59/82/208185982.db2.gz IJIVYYXNDQWWSQ-NEPJUHHUSA-N 2 2 255.362 -0.035 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000430881147 208186075 /nfs/dbraw/zinc/18/60/75/208186075.db2.gz YOUYDVRFOJBDHT-QWHCGFSZSA-N 2 2 285.388 -0.408 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000430881147 208186082 /nfs/dbraw/zinc/18/60/82/208186082.db2.gz YOUYDVRFOJBDHT-QWHCGFSZSA-N 2 2 285.388 -0.408 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000430882543 208187176 /nfs/dbraw/zinc/18/71/76/208187176.db2.gz LVOOLSMIQKTLFQ-IJLUTSLNSA-N 2 2 255.362 -0.049 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000430882543 208187181 /nfs/dbraw/zinc/18/71/81/208187181.db2.gz LVOOLSMIQKTLFQ-IJLUTSLNSA-N 2 2 255.362 -0.049 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C[NH2+]CC1CC1 ZINC000430877869 208188149 /nfs/dbraw/zinc/18/81/49/208188149.db2.gz FTHSGSWVEKZPNZ-LLVKDONJSA-N 2 2 255.362 -0.177 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C[NH2+]CC1CC1 ZINC000430877869 208188154 /nfs/dbraw/zinc/18/81/54/208188154.db2.gz FTHSGSWVEKZPNZ-LLVKDONJSA-N 2 2 255.362 -0.177 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000430882542 208188387 /nfs/dbraw/zinc/18/83/87/208188387.db2.gz LVOOLSMIQKTLFQ-GRYCIOLGSA-N 2 2 255.362 -0.049 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000430882542 208188393 /nfs/dbraw/zinc/18/83/93/208188393.db2.gz LVOOLSMIQKTLFQ-GRYCIOLGSA-N 2 2 255.362 -0.049 20 0 CBADLP C[C@H]1C[N@H+](CC(=O)NCCCN2CCCC2=O)CC[C@@H]1[NH3+] ZINC000430960690 208193620 /nfs/dbraw/zinc/19/36/20/208193620.db2.gz LAGAXIRXWMVFSE-STQMWFEESA-N 2 2 296.415 -0.216 20 0 CBADLP C[C@H]1C[N@@H+](CC(=O)NCCCN2CCCC2=O)CC[C@@H]1[NH3+] ZINC000430960690 208193624 /nfs/dbraw/zinc/19/36/24/208193624.db2.gz LAGAXIRXWMVFSE-STQMWFEESA-N 2 2 296.415 -0.216 20 0 CBADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H](NC(C)=O)C2)C1 ZINC000430954673 208193920 /nfs/dbraw/zinc/19/39/20/208193920.db2.gz KDTYETJEUZCTBB-UONOGXRCSA-N 2 2 296.415 -0.345 20 0 CBADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H](NC(C)=O)C2)C1 ZINC000430954673 208193926 /nfs/dbraw/zinc/19/39/26/208193926.db2.gz KDTYETJEUZCTBB-UONOGXRCSA-N 2 2 296.415 -0.345 20 0 CBADLP C[NH2+]C[C@@H](C)C(=O)NC[C@@H](C)[NH+]1CCN(C)CC1 ZINC000431006581 208195003 /nfs/dbraw/zinc/19/50/03/208195003.db2.gz YZBXKKCMSFYADX-VXGBXAGGSA-N 2 2 256.394 -0.406 20 0 CBADLP C[C@@H](CNC(=O)c1csc(C[NH3+])n1)N1CC[NH+](C)CC1 ZINC000431004756 208195204 /nfs/dbraw/zinc/19/52/04/208195204.db2.gz SPJKKUJREIIOHQ-JTQLQIEISA-N 2 2 297.428 -0.033 20 0 CBADLP COCC[NH2+]CC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000431007697 208196667 /nfs/dbraw/zinc/19/66/67/208196667.db2.gz VYGKIYNFAOQXRO-UHFFFAOYSA-N 2 2 281.360 -0.710 20 0 CBADLP C[C@@H]1C[N@@H+](C2CCN(C(=O)[C@H]3COCC[NH2+]3)CC2)CCO1 ZINC000431069081 208202055 /nfs/dbraw/zinc/20/20/55/208202055.db2.gz ZXYCAAIULQYTGK-TZMCWYRMSA-N 2 2 297.399 -0.314 20 0 CBADLP C[C@@H]1C[N@H+](C2CCN(C(=O)[C@H]3COCC[NH2+]3)CC2)CCO1 ZINC000431069081 208202059 /nfs/dbraw/zinc/20/20/59/208202059.db2.gz ZXYCAAIULQYTGK-TZMCWYRMSA-N 2 2 297.399 -0.314 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000431043681 208202933 /nfs/dbraw/zinc/20/29/33/208202933.db2.gz DUGFLUGYAYQFHR-UHFFFAOYSA-N 2 2 291.355 -0.453 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)CC[C@H](C)[NH3+])CC1 ZINC000434677249 208265800 /nfs/dbraw/zinc/26/58/00/208265800.db2.gz VQYHDDYUAQBHLN-NSHDSACASA-N 2 2 270.377 -0.606 20 0 CBADLP C[NH2+]CCCN1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000435877203 208283996 /nfs/dbraw/zinc/28/39/96/208283996.db2.gz OIHUPKYEEFUARW-LBPRGKRZSA-N 2 2 268.405 -0.119 20 0 CBADLP C[NH2+]CC(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000440564401 208342470 /nfs/dbraw/zinc/34/24/70/208342470.db2.gz IZVDVMBYMCFKRM-UHFFFAOYSA-N 2 2 251.334 -0.716 20 0 CBADLP C[C@@H]([NH3+])CN1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000442667586 208359116 /nfs/dbraw/zinc/35/91/16/208359116.db2.gz YJXYMBKAFWZVTM-OLZOCXBDSA-N 2 2 268.405 -0.038 20 0 CBADLP C[C@@H](NC(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)C(=O)N(C)C ZINC000442768542 208365431 /nfs/dbraw/zinc/36/54/31/208365431.db2.gz UBDNWHQQYZTIKQ-FKJOKYEKSA-N 2 2 296.415 -0.206 20 0 CBADLP C[C@@H](NC(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)C(=O)N(C)C ZINC000442768542 208365437 /nfs/dbraw/zinc/36/54/37/208365437.db2.gz UBDNWHQQYZTIKQ-FKJOKYEKSA-N 2 2 296.415 -0.206 20 0 CBADLP C[C@H](NC(=O)C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C)C(=O)N(C)C ZINC000442785725 208368145 /nfs/dbraw/zinc/36/81/45/208368145.db2.gz YGCIYKGTYXXHPJ-OUAUKWLOSA-N 2 2 270.377 -0.752 20 0 CBADLP C[C@H](NC(=O)C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C)C(=O)N(C)C ZINC000442785725 208368150 /nfs/dbraw/zinc/36/81/50/208368150.db2.gz YGCIYKGTYXXHPJ-OUAUKWLOSA-N 2 2 270.377 -0.752 20 0 CBADLP CNS(=O)(=O)N1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000289358063 197310393 /nfs/dbraw/zinc/31/03/93/197310393.db2.gz NVRQIHOWPPIJRZ-UHFFFAOYSA-N 2 2 287.389 -0.645 20 0 CBADLP COCCOC[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000093177046 533114118 /nfs/dbraw/zinc/11/41/18/533114118.db2.gz VQZKGNGKJZERQH-CQSZACIVSA-N 2 2 299.415 -0.255 20 0 CBADLP COCCOC[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000093177046 533114123 /nfs/dbraw/zinc/11/41/23/533114123.db2.gz VQZKGNGKJZERQH-CQSZACIVSA-N 2 2 299.415 -0.255 20 0 CBADLP CC[NH+]1CCC(NC(=O)C[N@H+](C)CCNC(C)=O)CC1 ZINC000516462969 285188480 /nfs/dbraw/zinc/18/84/80/285188480.db2.gz BGMOYRWUGDAOBW-UHFFFAOYSA-N 2 2 284.404 -0.345 20 0 CBADLP CC[NH+]1CCC(NC(=O)C[N@@H+](C)CCNC(C)=O)CC1 ZINC000516462969 285188481 /nfs/dbraw/zinc/18/84/81/285188481.db2.gz BGMOYRWUGDAOBW-UHFFFAOYSA-N 2 2 284.404 -0.345 20 0 CBADLP Cc1cccc(CNC(=O)C[N@H+](C)C[C@@H](O)C[NH3+])c1 ZINC000420354122 220561567 /nfs/dbraw/zinc/56/15/67/220561567.db2.gz OEDZQTCRUFYZIV-ZDUSSCGKSA-N 2 2 265.357 -0.137 20 0 CBADLP Cc1cccc(CNC(=O)C[N@@H+](C)C[C@@H](O)C[NH3+])c1 ZINC000420354122 220561571 /nfs/dbraw/zinc/56/15/71/220561571.db2.gz OEDZQTCRUFYZIV-ZDUSSCGKSA-N 2 2 265.357 -0.137 20 0 CBADLP CC[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000361450596 285221608 /nfs/dbraw/zinc/22/16/08/285221608.db2.gz BRHKOZTVVMFQEY-GFCCVEGCSA-N 2 2 255.362 -0.129 20 0 CBADLP CC[N@H+]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000361450596 285221616 /nfs/dbraw/zinc/22/16/16/285221616.db2.gz BRHKOZTVVMFQEY-GFCCVEGCSA-N 2 2 255.362 -0.129 20 0 CBADLP CC[NH+]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000361450596 285221621 /nfs/dbraw/zinc/22/16/21/285221621.db2.gz BRHKOZTVVMFQEY-GFCCVEGCSA-N 2 2 255.362 -0.129 20 0 CBADLP CC[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000361450596 285221623 /nfs/dbraw/zinc/22/16/23/285221623.db2.gz BRHKOZTVVMFQEY-GFCCVEGCSA-N 2 2 255.362 -0.129 20 0 CBADLP O=C(CCc1[nH]cc[nH+]1)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000288280828 197042411 /nfs/dbraw/zinc/04/24/11/197042411.db2.gz SLOLMLUQPIYNMC-LLVKDONJSA-N 2 2 263.345 -0.542 20 0 CBADLP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C[NH+]1CC(C)(C)C1 ZINC000655161087 413028359 /nfs/dbraw/zinc/02/83/59/413028359.db2.gz WNMVAUMQPFDWEB-LBPRGKRZSA-N 2 2 296.415 -0.093 20 0 CBADLP COC(=O)C[C@H]([NH3+])C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000575043253 335058200 /nfs/dbraw/zinc/05/82/00/335058200.db2.gz QRMURRMNZRNCAD-AXFHLTTASA-N 2 2 287.360 -0.898 20 0 CBADLP COC[C@H]([NH3+])C(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000262268353 285384661 /nfs/dbraw/zinc/38/46/61/285384661.db2.gz KBIVPMABWMPBNH-WOPDTQHZSA-N 2 2 271.361 -0.861 20 0 CBADLP COC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000121363434 533422924 /nfs/dbraw/zinc/42/29/24/533422924.db2.gz XATKPKODSNWXAJ-GFCCVEGCSA-N 2 2 283.372 -0.212 20 0 CBADLP COC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000121363434 533422929 /nfs/dbraw/zinc/42/29/29/533422929.db2.gz XATKPKODSNWXAJ-GFCCVEGCSA-N 2 2 283.372 -0.212 20 0 CBADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@H]1CCCN1S(C)(=O)=O ZINC000333837778 296582174 /nfs/dbraw/zinc/58/21/74/296582174.db2.gz NRTVUABHMGIWQI-UTUOFQBUSA-N 2 2 275.418 -0.002 20 0 CBADLP CCOCCNC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357070195 286094747 /nfs/dbraw/zinc/09/47/47/286094747.db2.gz AFPIHRVQIBYPKA-RYUDHWBXSA-N 2 2 255.362 -0.320 20 0 CBADLP CCOCCNC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357070195 286094748 /nfs/dbraw/zinc/09/47/48/286094748.db2.gz AFPIHRVQIBYPKA-RYUDHWBXSA-N 2 2 255.362 -0.320 20 0 CBADLP COCCCS(=O)(=O)NCC[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000337776443 292373809 /nfs/dbraw/zinc/37/38/09/292373809.db2.gz XZZIFSPOJFPDMQ-LBPRGKRZSA-N 2 2 293.433 -0.387 20 0 CBADLP COCCCS(=O)(=O)NCC[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000337776443 292373812 /nfs/dbraw/zinc/37/38/12/292373812.db2.gz XZZIFSPOJFPDMQ-LBPRGKRZSA-N 2 2 293.433 -0.387 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[NH+](C)CC1 ZINC000347721104 286845394 /nfs/dbraw/zinc/84/53/94/286845394.db2.gz JJFXIXVVOJZCCH-LBPRGKRZSA-N 2 2 255.362 -0.271 20 0 CBADLP C[C@@H]([NH2+]CC1([NH3+])CCC1)C(=O)NC(=O)NC1CC1 ZINC000342129737 287018319 /nfs/dbraw/zinc/01/83/19/287018319.db2.gz HHDWZQWBRLIITO-MRVPVSSYSA-N 2 2 254.334 -0.166 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2C[NH3+])C[C@H]1[NH+]1CCOCC1 ZINC000662753605 413994463 /nfs/dbraw/zinc/99/44/63/413994463.db2.gz URNYEODUPRSUNV-SYQHCUMBSA-N 2 2 297.399 -0.471 20 0 CBADLP CC(C)CNC(=O)C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031502 174026019 /nfs/dbraw/zinc/02/60/19/174026019.db2.gz KQGPECRIQCMPJV-UHFFFAOYSA-N 2 2 270.377 -0.878 20 0 CBADLP CC(C)CNC(=O)C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031502 174026020 /nfs/dbraw/zinc/02/60/20/174026020.db2.gz KQGPECRIQCMPJV-UHFFFAOYSA-N 2 2 270.377 -0.878 20 0 CBADLP C[NH2+]C[C@H]1CCC[N@H+](CC(=O)N2CCOCC2)C1 ZINC000040598573 174349645 /nfs/dbraw/zinc/34/96/45/174349645.db2.gz IRXRBYNVXGAZLK-GFCCVEGCSA-N 2 2 255.362 -0.223 20 0 CBADLP C[NH2+]C[C@H]1CCC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC000040598573 174349646 /nfs/dbraw/zinc/34/96/46/174349646.db2.gz IRXRBYNVXGAZLK-GFCCVEGCSA-N 2 2 255.362 -0.223 20 0 CBADLP CC(C)C[C@@H](CNC(=O)[C@@H]1C[NH2+]CCO1)[NH+]1CCOCC1 ZINC000043800702 175106331 /nfs/dbraw/zinc/10/63/31/175106331.db2.gz HGRZXCMGDOWKRV-KBPBESRZSA-N 2 2 299.415 -0.162 20 0 CBADLP O=C(CCn1cc[nH+]c1)N1CCC[N@@H+](CCO)CC1 ZINC000071348719 176132395 /nfs/dbraw/zinc/13/23/95/176132395.db2.gz XZVNEPBWJCEMPP-UHFFFAOYSA-N 2 2 266.345 -0.200 20 0 CBADLP O=C(CCn1cc[nH+]c1)N1CCC[N@H+](CCO)CC1 ZINC000071348719 176132396 /nfs/dbraw/zinc/13/23/96/176132396.db2.gz XZVNEPBWJCEMPP-UHFFFAOYSA-N 2 2 266.345 -0.200 20 0 CBADLP CCNC(=O)CN1CC[NH+](CCn2cc[nH+]c2C)CC1 ZINC000077121635 177226524 /nfs/dbraw/zinc/22/65/24/177226524.db2.gz AKERPAKMZFWXKO-UHFFFAOYSA-N 2 2 279.388 -0.055 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)CC1(O)CCC1 ZINC000575192918 335078665 /nfs/dbraw/zinc/07/86/65/335078665.db2.gz RJDJRNRNGBWOMP-GFCCVEGCSA-N 2 2 260.378 -0.228 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)CC1(O)CCC1 ZINC000575192918 335078667 /nfs/dbraw/zinc/07/86/67/335078667.db2.gz RJDJRNRNGBWOMP-GFCCVEGCSA-N 2 2 260.378 -0.228 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)CC1(O)CCC1 ZINC000575192918 335078668 /nfs/dbraw/zinc/07/86/68/335078668.db2.gz RJDJRNRNGBWOMP-GFCCVEGCSA-N 2 2 260.378 -0.228 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)CC1(O)CCC1 ZINC000575192918 335078670 /nfs/dbraw/zinc/07/86/70/335078670.db2.gz RJDJRNRNGBWOMP-GFCCVEGCSA-N 2 2 260.378 -0.228 20 0 CBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC000083002110 544430869 /nfs/dbraw/zinc/43/08/69/544430869.db2.gz YERQZLFNWMSUEP-UONOGXRCSA-N 2 2 299.415 -0.378 20 0 CBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1CCCC[N@H+]1C ZINC000083002110 544430872 /nfs/dbraw/zinc/43/08/72/544430872.db2.gz YERQZLFNWMSUEP-UONOGXRCSA-N 2 2 299.415 -0.378 20 0 CBADLP [NH3+]C1(C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000088130330 544434197 /nfs/dbraw/zinc/43/41/97/544434197.db2.gz RKFHAPKZSZPROA-NSHDSACASA-N 2 2 253.346 -0.199 20 0 CBADLP CN1CC[N@H+](C)[C@H](CNC(=O)CC2([NH3+])CCC2)C1 ZINC000094295505 544444597 /nfs/dbraw/zinc/44/45/97/544444597.db2.gz HRFHNNFAKVDVID-LLVKDONJSA-N 2 2 254.378 -0.380 20 0 CBADLP CN1CC[N@@H+](C)[C@H](CNC(=O)CC2([NH3+])CCC2)C1 ZINC000094295505 544444603 /nfs/dbraw/zinc/44/46/03/544444603.db2.gz HRFHNNFAKVDVID-LLVKDONJSA-N 2 2 254.378 -0.380 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)COC1(C)C[NH2+]C1 ZINC000098063133 544447354 /nfs/dbraw/zinc/44/73/54/544447354.db2.gz JRXYCPXEZXXEDG-SNVBAGLBSA-N 2 2 252.318 -0.234 20 0 CBADLP CCNC(=O)C[N@H+](C)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000227800197 544494044 /nfs/dbraw/zinc/49/40/44/544494044.db2.gz MKCABHFVDOFERQ-KBPBESRZSA-N 2 2 279.384 -0.015 20 0 CBADLP CCNC(=O)C[N@@H+](C)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000227800197 544494049 /nfs/dbraw/zinc/49/40/49/544494049.db2.gz MKCABHFVDOFERQ-KBPBESRZSA-N 2 2 279.384 -0.015 20 0 CBADLP C[C@H](CNC(=O)N[C@@H]1CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000333755213 544545370 /nfs/dbraw/zinc/54/53/70/544545370.db2.gz AOLQXQLHLOIWNO-VXGBXAGGSA-N 2 2 270.377 -0.242 20 0 CBADLP CC(C)[C@H]([NH3+])C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000236713401 544507152 /nfs/dbraw/zinc/50/71/52/544507152.db2.gz OBFCZQDMYSGEMM-RYUDHWBXSA-N 2 2 273.377 -0.879 20 0 CBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000237234594 544508124 /nfs/dbraw/zinc/50/81/24/544508124.db2.gz MQYWZUUXSFXYTH-ZFWWWQNUSA-N 2 2 299.415 -0.472 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000250422489 544513731 /nfs/dbraw/zinc/51/37/31/544513731.db2.gz ZOYDAKCJYGVFOE-KBPBESRZSA-N 3 2 280.416 -0.023 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000250422489 544513736 /nfs/dbraw/zinc/51/37/36/544513736.db2.gz ZOYDAKCJYGVFOE-KBPBESRZSA-N 3 2 280.416 -0.023 20 0 CBADLP C[C@@H](C[NH+](C)C)[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000302296658 544526841 /nfs/dbraw/zinc/52/68/41/544526841.db2.gz IKSKBEWTNYJBKI-JTQLQIEISA-N 2 2 263.407 -0.050 20 0 CBADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@](O)(CO)C1 ZINC000313635535 544529088 /nfs/dbraw/zinc/52/90/88/544529088.db2.gz LHENGIOTANLDIT-CHWSQXEVSA-N 2 2 260.378 -0.493 20 0 CBADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@](O)(CO)C1 ZINC000313635535 544529091 /nfs/dbraw/zinc/52/90/91/544529091.db2.gz LHENGIOTANLDIT-CHWSQXEVSA-N 2 2 260.378 -0.493 20 0 CBADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@](O)(CO)C1 ZINC000313635535 544529093 /nfs/dbraw/zinc/52/90/93/544529093.db2.gz LHENGIOTANLDIT-CHWSQXEVSA-N 2 2 260.378 -0.493 20 0 CBADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@](O)(CO)C1 ZINC000313635535 544529097 /nfs/dbraw/zinc/52/90/97/544529097.db2.gz LHENGIOTANLDIT-CHWSQXEVSA-N 2 2 260.378 -0.493 20 0 CBADLP C[N@H+](C[C@H]1C[NH2+]CCO1)C1CCN(S(C)(=O)=O)CC1 ZINC000311360049 544529728 /nfs/dbraw/zinc/52/97/28/544529728.db2.gz BBJWYZKOWZVQCS-GFCCVEGCSA-N 2 2 291.417 -0.669 20 0 CBADLP C[N@@H+](C[C@H]1C[NH2+]CCO1)C1CCN(S(C)(=O)=O)CC1 ZINC000311360049 544529732 /nfs/dbraw/zinc/52/97/32/544529732.db2.gz BBJWYZKOWZVQCS-GFCCVEGCSA-N 2 2 291.417 -0.669 20 0 CBADLP Cc1nc(N2CC[NH+](C[C@H]3CCOC3)CC2)nc(N)[nH+]1 ZINC000631152910 419476133 /nfs/dbraw/zinc/47/61/33/419476133.db2.gz UWNMXFJLQXPFLR-LLVKDONJSA-N 2 2 278.360 -0.079 20 0 CBADLP Nc1nc(NCCC[NH+]2CCOCC2)nc(N)[nH+]1 ZINC000100719075 419477739 /nfs/dbraw/zinc/47/77/39/419477739.db2.gz JYGNKWWSCYYIBE-UHFFFAOYSA-N 2 2 253.310 -0.830 20 0 CBADLP Cc1nc(N2CC[N@H+](CCO)C(C)(C)C2)nc(N)[nH+]1 ZINC000631233913 419478449 /nfs/dbraw/zinc/47/84/49/419478449.db2.gz SHLSUFKGOQQJGL-UHFFFAOYSA-N 2 2 266.349 -0.345 20 0 CBADLP Cc1nc(N2CC[N@@H+](CCO)C(C)(C)C2)nc(N)[nH+]1 ZINC000631233913 419478456 /nfs/dbraw/zinc/47/84/56/419478456.db2.gz SHLSUFKGOQQJGL-UHFFFAOYSA-N 2 2 266.349 -0.345 20 0 CBADLP Cc1nc(N2CCN(c3[nH]cc[nH+]3)CC2)nc(N)[nH+]1 ZINC000631248433 419481007 /nfs/dbraw/zinc/48/10/07/419481007.db2.gz CZBLNDJWJDSWIM-UHFFFAOYSA-N 2 2 260.305 -0.188 20 0 CBADLP Cc1nc(N)nc(N2CCN(c3[nH]cc[nH+]3)CC2)[nH+]1 ZINC000631248433 419481013 /nfs/dbraw/zinc/48/10/13/419481013.db2.gz CZBLNDJWJDSWIM-UHFFFAOYSA-N 2 2 260.305 -0.188 20 0 CBADLP C[C@@H]1C[N@H+](Cc2nc(N)nc(N(C)C)n2)C[C@H]1C[NH3+] ZINC000631837727 419489807 /nfs/dbraw/zinc/48/98/07/419489807.db2.gz DRQVQUZDYBXGGC-RKDXNWHRSA-N 2 2 265.365 -0.454 20 0 CBADLP C[C@@H]1C[N@@H+](Cc2nc(N)nc(N(C)C)n2)C[C@H]1C[NH3+] ZINC000631837727 419489815 /nfs/dbraw/zinc/48/98/15/419489815.db2.gz DRQVQUZDYBXGGC-RKDXNWHRSA-N 2 2 265.365 -0.454 20 0 CBADLP C[C@H]([NH3+])[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CCO1 ZINC000122779005 419490779 /nfs/dbraw/zinc/49/07/79/419490779.db2.gz DTDSUKVYVKYZFR-QWRGUYRKSA-N 2 2 252.318 -0.152 20 0 CBADLP Cc1nc(NCC[N@@H+]2CC[C@@H](O)C2)nc(N(C)C)[nH+]1 ZINC000624678852 419421508 /nfs/dbraw/zinc/42/15/08/419421508.db2.gz FVTRIPMMDBVGCM-SNVBAGLBSA-N 2 2 266.349 -0.275 20 0 CBADLP Cc1nc(NCC[N@H+]2CC[C@@H](O)C2)nc(N(C)C)[nH+]1 ZINC000624678852 419421514 /nfs/dbraw/zinc/42/15/14/419421514.db2.gz FVTRIPMMDBVGCM-SNVBAGLBSA-N 2 2 266.349 -0.275 20 0 CBADLP O=C([C@H]1C[NH2+]CCO1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000043709796 419429998 /nfs/dbraw/zinc/42/99/98/419429998.db2.gz NRXVTOPAUPBHQC-CQSZACIVSA-N 2 2 290.367 -0.286 20 0 CBADLP Cc1cc(NC(=O)CC[NH2+]CC[N@@H+]2CC[C@H](O)C2)no1 ZINC000629620283 419458417 /nfs/dbraw/zinc/45/84/17/419458417.db2.gz XGPTUUUSUFKDQE-NSHDSACASA-N 2 2 282.344 -0.032 20 0 CBADLP Cc1cc(NC(=O)CC[NH2+]CC[N@H+]2CC[C@H](O)C2)no1 ZINC000629620283 419458426 /nfs/dbraw/zinc/45/84/26/419458426.db2.gz XGPTUUUSUFKDQE-NSHDSACASA-N 2 2 282.344 -0.032 20 0 CBADLP C[C@H](c1nc(N)nc(N(C)C)n1)[N@H+](C)CCOCC[NH3+] ZINC000629576816 419459054 /nfs/dbraw/zinc/45/90/54/419459054.db2.gz DDDYEDMXHQQWKM-SECBINFHSA-N 2 2 283.380 -0.512 20 0 CBADLP C[C@H](c1nc(N)nc(N(C)C)n1)[N@@H+](C)CCOCC[NH3+] ZINC000629576816 419459060 /nfs/dbraw/zinc/45/90/60/419459060.db2.gz DDDYEDMXHQQWKM-SECBINFHSA-N 2 2 283.380 -0.512 20 0 CBADLP C[NH2+]CCOCC[N@H+](C)Cc1nc(N)nc(N(C)C)n1 ZINC000629571523 419459176 /nfs/dbraw/zinc/45/91/76/419459176.db2.gz VUHYRFOWYKOVFV-UHFFFAOYSA-N 2 2 283.380 -0.812 20 0 CBADLP C[NH2+]CCOCC[N@@H+](C)Cc1nc(N)nc(N(C)C)n1 ZINC000629571523 419459185 /nfs/dbraw/zinc/45/91/85/419459185.db2.gz VUHYRFOWYKOVFV-UHFFFAOYSA-N 2 2 283.380 -0.812 20 0 CBADLP COC[C@H](C[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1)OC ZINC000660912969 419460891 /nfs/dbraw/zinc/46/08/91/419460891.db2.gz QAZANPFHPVDCOD-LBPRGKRZSA-N 2 2 273.377 -0.646 20 0 CBADLP COC[C@H](C[N@H+]1CCN(CC[NH+](C)C)C(=O)C1)OC ZINC000660912969 419460897 /nfs/dbraw/zinc/46/08/97/419460897.db2.gz QAZANPFHPVDCOD-LBPRGKRZSA-N 2 2 273.377 -0.646 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)[C@@H]1CSC[NH2+]1 ZINC000074915168 419468331 /nfs/dbraw/zinc/46/83/31/419468331.db2.gz WVXNJRGMSCATNQ-JTQLQIEISA-N 2 2 259.375 -0.561 20 0 CBADLP CC[C@H](CO)[NH+]1CCN(c2nc(C)[nH+]c(N)n2)CC1 ZINC000631134339 419471170 /nfs/dbraw/zinc/47/11/70/419471170.db2.gz CHHIWCHGZAVPLL-SNVBAGLBSA-N 2 2 266.349 -0.345 20 0 CBADLP COCC[N@H+](C)CCCNc1nc(C)[nH+]c(N)n1 ZINC000631058058 419471730 /nfs/dbraw/zinc/47/17/30/419471730.db2.gz CCNLXXYGAWEFNE-UHFFFAOYSA-N 2 2 254.338 -0.436 20 0 CBADLP COCC[N@@H+](C)CCCNc1nc(C)[nH+]c(N)n1 ZINC000631058058 419471739 /nfs/dbraw/zinc/47/17/39/419471739.db2.gz CCNLXXYGAWEFNE-UHFFFAOYSA-N 2 2 254.338 -0.436 20 0 CBADLP COCC[N@H+](C)CCCNc1nc(N)nc(C)[nH+]1 ZINC000631058058 419471744 /nfs/dbraw/zinc/47/17/44/419471744.db2.gz CCNLXXYGAWEFNE-UHFFFAOYSA-N 2 2 254.338 -0.436 20 0 CBADLP COCC[N@@H+](C)CCCNc1nc(N)nc(C)[nH+]1 ZINC000631058058 419471754 /nfs/dbraw/zinc/47/17/54/419471754.db2.gz CCNLXXYGAWEFNE-UHFFFAOYSA-N 2 2 254.338 -0.436 20 0 CBADLP CC[NH+]1CCN(CCNc2nc(C)[nH+]c(N)n2)CC1 ZINC000631057220 419472389 /nfs/dbraw/zinc/47/23/89/419472389.db2.gz RSCNFMCVOUJPGW-UHFFFAOYSA-N 2 2 265.365 -0.766 20 0 CBADLP Cc1nc(NC[C@@H](C)C[NH+]2CCOCC2)nc(N)[nH+]1 ZINC000631124142 419474072 /nfs/dbraw/zinc/47/40/72/419474072.db2.gz HCYCHZYNVRXEMN-SECBINFHSA-N 2 2 266.349 -0.436 20 0 CBADLP CC(C)[NH+]1CCN(CCC[N@@H+]2CCNC(=O)C2)CC1 ZINC000191390962 419530966 /nfs/dbraw/zinc/53/09/66/419530966.db2.gz RAXORIUPLDSGAU-UHFFFAOYSA-N 2 2 268.405 -0.166 20 0 CBADLP CC(C)[NH+]1CCN(CCC[N@H+]2CCNC(=O)C2)CC1 ZINC000191390962 419530977 /nfs/dbraw/zinc/53/09/77/419530977.db2.gz RAXORIUPLDSGAU-UHFFFAOYSA-N 2 2 268.405 -0.166 20 0 CBADLP C[C@H]1CN(CC[N@H+]2CCOC[C@@H]2C)CC[NH+]1CCO ZINC000192811342 419536728 /nfs/dbraw/zinc/53/67/28/419536728.db2.gz RNFMVTMDAFFRSR-KBPBESRZSA-N 2 2 271.405 -0.295 20 0 CBADLP C[C@H]1CN(CC[N@@H+]2CCOC[C@@H]2C)CC[NH+]1CCO ZINC000192811342 419536738 /nfs/dbraw/zinc/53/67/38/419536738.db2.gz RNFMVTMDAFFRSR-KBPBESRZSA-N 2 2 271.405 -0.295 20 0 CBADLP C[C@H]1COCC[NH+]1CCN1CC[N@H+](CCO)[C@@H](C)C1 ZINC000192811342 419536741 /nfs/dbraw/zinc/53/67/41/419536741.db2.gz RNFMVTMDAFFRSR-KBPBESRZSA-N 2 2 271.405 -0.295 20 0 CBADLP C[C@H]1COCC[NH+]1CCN1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000192811342 419536748 /nfs/dbraw/zinc/53/67/48/419536748.db2.gz RNFMVTMDAFFRSR-KBPBESRZSA-N 2 2 271.405 -0.295 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000662008484 419538555 /nfs/dbraw/zinc/53/85/55/419538555.db2.gz NQWMEBUPMJJGIF-CHWSQXEVSA-N 2 2 286.420 -0.013 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000662008484 419538562 /nfs/dbraw/zinc/53/85/62/419538562.db2.gz NQWMEBUPMJJGIF-CHWSQXEVSA-N 2 2 286.420 -0.013 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000662008484 419538569 /nfs/dbraw/zinc/53/85/69/419538569.db2.gz NQWMEBUPMJJGIF-CHWSQXEVSA-N 2 2 286.420 -0.013 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000662008484 419538573 /nfs/dbraw/zinc/53/85/73/419538573.db2.gz NQWMEBUPMJJGIF-CHWSQXEVSA-N 2 2 286.420 -0.013 20 0 CBADLP C[C@@H]1C[N@H+](CCN2CC[NH+](CCO)[C@H](C)C2)CCO1 ZINC000192834575 419540203 /nfs/dbraw/zinc/54/02/03/419540203.db2.gz VAHZEVJHDRRLJH-ZIAGYGMSSA-N 2 2 271.405 -0.295 20 0 CBADLP C[C@@H]1C[N@@H+](CCN2CC[NH+](CCO)[C@H](C)C2)CCO1 ZINC000192834575 419540206 /nfs/dbraw/zinc/54/02/06/419540206.db2.gz VAHZEVJHDRRLJH-ZIAGYGMSSA-N 2 2 271.405 -0.295 20 0 CBADLP C[C@@H]1C[NH+](CCN2CC[N@H+](CCO)[C@H](C)C2)CCO1 ZINC000192834575 419540210 /nfs/dbraw/zinc/54/02/10/419540210.db2.gz VAHZEVJHDRRLJH-ZIAGYGMSSA-N 2 2 271.405 -0.295 20 0 CBADLP C[C@@H]1C[NH+](CCN2CC[N@@H+](CCO)[C@H](C)C2)CCO1 ZINC000192834575 419540218 /nfs/dbraw/zinc/54/02/18/419540218.db2.gz VAHZEVJHDRRLJH-ZIAGYGMSSA-N 2 2 271.405 -0.295 20 0 CBADLP CC(=O)[C@](C)(O)C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662151788 419548958 /nfs/dbraw/zinc/54/89/58/419548958.db2.gz LIGOGQCQINCBPN-UONOGXRCSA-N 2 2 270.373 -0.143 20 0 CBADLP CC(=O)[C@](C)(O)C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662151788 419548961 /nfs/dbraw/zinc/54/89/61/419548961.db2.gz LIGOGQCQINCBPN-UONOGXRCSA-N 2 2 270.373 -0.143 20 0 CBADLP C[NH+](C)C1CC[NH+](CCNc2cc(C(N)=O)ncn2)CC1 ZINC000641443114 419551712 /nfs/dbraw/zinc/55/17/12/419551712.db2.gz QNYRYKMONUANJO-UHFFFAOYSA-N 2 2 292.387 0.013 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)[C@@](C)(CO)C1 ZINC000662144090 419551983 /nfs/dbraw/zinc/55/19/83/419551983.db2.gz RYVCEPZZVRPNIS-HZSPNIEDSA-N 2 2 274.405 -0.124 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)[C@@](C)(CO)C1 ZINC000662144090 419551989 /nfs/dbraw/zinc/55/19/89/419551989.db2.gz RYVCEPZZVRPNIS-HZSPNIEDSA-N 2 2 274.405 -0.124 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](C)[C@@](C)(CO)C1 ZINC000662144090 419551992 /nfs/dbraw/zinc/55/19/92/419551992.db2.gz RYVCEPZZVRPNIS-HZSPNIEDSA-N 2 2 274.405 -0.124 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](C)[C@@](C)(CO)C1 ZINC000662144090 419552000 /nfs/dbraw/zinc/55/20/00/419552000.db2.gz RYVCEPZZVRPNIS-HZSPNIEDSA-N 2 2 274.405 -0.124 20 0 CBADLP CCOC[C@H](O)C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662157735 419552095 /nfs/dbraw/zinc/55/20/95/419552095.db2.gz PWLJLTVAALGQGM-UONOGXRCSA-N 2 2 272.389 -0.085 20 0 CBADLP CCOC[C@H](O)C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662157735 419552100 /nfs/dbraw/zinc/55/21/00/419552100.db2.gz PWLJLTVAALGQGM-UONOGXRCSA-N 2 2 272.389 -0.085 20 0 CBADLP C[C@@H](C(=O)N(C)C)[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662157883 419552183 /nfs/dbraw/zinc/55/21/83/419552183.db2.gz SQRCIQQJWYPWQB-AAEUAGOBSA-N 2 2 269.389 -0.006 20 0 CBADLP C[C@@H](C(=O)N(C)C)[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662157883 419552186 /nfs/dbraw/zinc/55/21/86/419552186.db2.gz SQRCIQQJWYPWQB-AAEUAGOBSA-N 2 2 269.389 -0.006 20 0 CBADLP CCc1nc(NC[C@@]2(CO)COCC[NH2+]2)cc(C)[nH+]1 ZINC000641688649 419556409 /nfs/dbraw/zinc/55/64/09/419556409.db2.gz JXGXFIITHOKNTD-CYBMUJFWSA-N 2 2 266.345 0.110 20 0 CBADLP CCc1nc(NC[C@]2(CO)COCC[NH2+]2)cc(C)[nH+]1 ZINC000641688650 419556614 /nfs/dbraw/zinc/55/66/14/419556614.db2.gz JXGXFIITHOKNTD-ZDUSSCGKSA-N 2 2 266.345 0.110 20 0 CBADLP Cc1nc(NC[C@H]2CSCC[NH2+]2)nc(N(C)C)[nH+]1 ZINC000641686888 419557499 /nfs/dbraw/zinc/55/74/99/419557499.db2.gz CRWDKBSELBJHLO-VIFPVBQESA-N 2 2 268.390 0.363 20 0 CBADLP O=C([C@H]1CCC[N@H+](C[C@H]2C[NH2+]CCO2)C1)N1CC[NH2+]CC1 ZINC000662243512 419557560 /nfs/dbraw/zinc/55/75/60/419557560.db2.gz MKUZDCKRDNITRL-UONOGXRCSA-N 3 2 296.415 -0.881 20 0 CBADLP O=C([C@H]1CCC[N@@H+](C[C@H]2C[NH2+]CCO2)C1)N1CC[NH2+]CC1 ZINC000662243512 419557565 /nfs/dbraw/zinc/55/75/65/419557565.db2.gz MKUZDCKRDNITRL-UONOGXRCSA-N 3 2 296.415 -0.881 20 0 CBADLP C[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)[C@@H]1CCS(=O)(=O)C1 ZINC000662249208 419560709 /nfs/dbraw/zinc/56/07/09/419560709.db2.gz JPEZFFISRIXFIA-GHMZBOCLSA-N 2 2 274.386 -0.374 20 0 CBADLP C[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)[C@@H]1CCS(=O)(=O)C1 ZINC000662249208 419560716 /nfs/dbraw/zinc/56/07/16/419560716.db2.gz JPEZFFISRIXFIA-GHMZBOCLSA-N 2 2 274.386 -0.374 20 0 CBADLP O=C([C@H]1CCC[N@H+](C[C@@H]2C[NH2+]CCO2)C1)N1CCOCC1 ZINC000662248986 419561469 /nfs/dbraw/zinc/56/14/69/419561469.db2.gz MWUDPXIQZMXWFL-KBPBESRZSA-N 2 2 297.399 -0.454 20 0 CBADLP O=C([C@H]1CCC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1)N1CCOCC1 ZINC000662248986 419561474 /nfs/dbraw/zinc/56/14/74/419561474.db2.gz MWUDPXIQZMXWFL-KBPBESRZSA-N 2 2 297.399 -0.454 20 0 CBADLP O=C([C@@H]1CCC[N@H+](C[C@H]2C[NH2+]CCO2)C1)N1CCOCC1 ZINC000662248992 419561782 /nfs/dbraw/zinc/56/17/82/419561782.db2.gz MWUDPXIQZMXWFL-ZIAGYGMSSA-N 2 2 297.399 -0.454 20 0 CBADLP O=C([C@@H]1CCC[N@@H+](C[C@H]2C[NH2+]CCO2)C1)N1CCOCC1 ZINC000662248992 419561786 /nfs/dbraw/zinc/56/17/86/419561786.db2.gz MWUDPXIQZMXWFL-ZIAGYGMSSA-N 2 2 297.399 -0.454 20 0 CBADLP CN1CCC[C@H]([N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1=O ZINC000662266798 419568812 /nfs/dbraw/zinc/56/88/12/419568812.db2.gz PDJSIAUSNDAHGO-STQMWFEESA-N 2 2 294.399 -0.497 20 0 CBADLP CN1CCC[C@H]([N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1=O ZINC000662266798 419568818 /nfs/dbraw/zinc/56/88/18/419568818.db2.gz PDJSIAUSNDAHGO-STQMWFEESA-N 2 2 294.399 -0.497 20 0 CBADLP NC(=O)CC[C@@H]1CCC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662253757 419562729 /nfs/dbraw/zinc/56/27/29/419562729.db2.gz KJHONCCOXZTKKA-RYUDHWBXSA-N 2 2 255.362 -0.048 20 0 CBADLP NC(=O)CC[C@@H]1CCC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662253757 419562731 /nfs/dbraw/zinc/56/27/31/419562731.db2.gz KJHONCCOXZTKKA-RYUDHWBXSA-N 2 2 255.362 -0.048 20 0 CBADLP COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662252788 419564502 /nfs/dbraw/zinc/56/45/02/419564502.db2.gz OUDVIVYAWNJDFH-MJBXVCDLSA-N 2 2 299.415 -0.162 20 0 CBADLP COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662252788 419564508 /nfs/dbraw/zinc/56/45/08/419564508.db2.gz OUDVIVYAWNJDFH-MJBXVCDLSA-N 2 2 299.415 -0.162 20 0 CBADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1C[C@H]1C[NH2+]CCO1 ZINC000662272210 419566035 /nfs/dbraw/zinc/56/60/35/419566035.db2.gz MDEAPXBSDGFWBV-QWHCGFSZSA-N 3 2 284.404 -0.706 20 0 CBADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1C[C@H]1C[NH2+]CCO1 ZINC000662272210 419566045 /nfs/dbraw/zinc/56/60/45/419566045.db2.gz MDEAPXBSDGFWBV-QWHCGFSZSA-N 3 2 284.404 -0.706 20 0 CBADLP CC(C)[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH+]1CCOCC1 ZINC000174506622 419505125 /nfs/dbraw/zinc/50/51/25/419505125.db2.gz VDQIQZMPURQFIU-ZIAGYGMSSA-N 2 2 299.415 -0.210 20 0 CBADLP CC(C)[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH+]1CCOCC1 ZINC000174506622 419505132 /nfs/dbraw/zinc/50/51/32/419505132.db2.gz VDQIQZMPURQFIU-ZIAGYGMSSA-N 2 2 299.415 -0.210 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000661620182 419508593 /nfs/dbraw/zinc/50/85/93/419508593.db2.gz HUPFQZJWLSNZKV-RQJABVFESA-N 2 2 274.405 -0.126 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000661620182 419508595 /nfs/dbraw/zinc/50/85/95/419508595.db2.gz HUPFQZJWLSNZKV-RQJABVFESA-N 2 2 274.405 -0.126 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000661620182 419508598 /nfs/dbraw/zinc/50/85/98/419508598.db2.gz HUPFQZJWLSNZKV-RQJABVFESA-N 2 2 274.405 -0.126 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000661620182 419508603 /nfs/dbraw/zinc/50/86/03/419508603.db2.gz HUPFQZJWLSNZKV-RQJABVFESA-N 2 2 274.405 -0.126 20 0 CBADLP COC[C@H](C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)OC ZINC000662266711 419567205 /nfs/dbraw/zinc/56/72/05/419567205.db2.gz LGNJXDMABGZFTI-STQMWFEESA-N 2 2 285.388 -0.456 20 0 CBADLP COC[C@H](C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)OC ZINC000662266711 419567211 /nfs/dbraw/zinc/56/72/11/419567211.db2.gz LGNJXDMABGZFTI-STQMWFEESA-N 2 2 285.388 -0.456 20 0 CBADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CN1CC[NH2+]CC1=O ZINC000236848664 419570869 /nfs/dbraw/zinc/57/08/69/419570869.db2.gz QGZHLKQWHHMYNO-OLZOCXBDSA-N 2 2 294.399 -0.497 20 0 CBADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CN1CC[NH2+]CC1=O ZINC000236848664 419570874 /nfs/dbraw/zinc/57/08/74/419570874.db2.gz QGZHLKQWHHMYNO-OLZOCXBDSA-N 2 2 294.399 -0.497 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000236746181 419571343 /nfs/dbraw/zinc/57/13/43/419571343.db2.gz WFOZNYZMACKSDK-LBPRGKRZSA-N 2 2 270.377 -0.750 20 0 CBADLP CN1CC[N@H+](C)[C@@H](CNc2nc(N)[nH+]c3c2CCCC3)C1 ZINC000645167085 419573189 /nfs/dbraw/zinc/57/31/89/419573189.db2.gz JKYKOJOFQISHIV-NSHDSACASA-N 2 2 290.415 0.017 20 0 CBADLP CN1CC[N@@H+](C)[C@@H](CNc2nc(N)[nH+]c3c2CCCC3)C1 ZINC000645167085 419573196 /nfs/dbraw/zinc/57/31/96/419573196.db2.gz JKYKOJOFQISHIV-NSHDSACASA-N 2 2 290.415 0.017 20 0 CBADLP CO[C@@H](C[N@H+](CC[NH3+])C[C@H](O)CO)C1CCCC1 ZINC000662285584 419573241 /nfs/dbraw/zinc/57/32/41/419573241.db2.gz DWNGHWCRTFAQBZ-STQMWFEESA-N 2 2 260.378 -0.195 20 0 CBADLP CO[C@@H](C[N@@H+](CC[NH3+])C[C@H](O)CO)C1CCCC1 ZINC000662285584 419573247 /nfs/dbraw/zinc/57/32/47/419573247.db2.gz DWNGHWCRTFAQBZ-STQMWFEESA-N 2 2 260.378 -0.195 20 0 CBADLP CC(C)[NH2+]CCC(=O)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000394389997 544580872 /nfs/dbraw/zinc/58/08/72/544580872.db2.gz VDRROUGGBAFQEL-CYBMUJFWSA-N 2 2 268.405 -0.119 20 0 CBADLP CC(C)[NH2+]CCC(=O)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000394389997 544580876 /nfs/dbraw/zinc/58/08/76/544580876.db2.gz VDRROUGGBAFQEL-CYBMUJFWSA-N 2 2 268.405 -0.119 20 0 CBADLP O=C(CC[NH2+]C1CC1)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000394381065 544580957 /nfs/dbraw/zinc/58/09/57/544580957.db2.gz CGANALFYTLGEQB-ZDUSSCGKSA-N 2 2 266.389 -0.365 20 0 CBADLP O=C(CC[NH2+]C1CC1)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000394381065 544580960 /nfs/dbraw/zinc/58/09/60/544580960.db2.gz CGANALFYTLGEQB-ZDUSSCGKSA-N 2 2 266.389 -0.365 20 0 CBADLP CC(C)[C@H](C)NC(=O)C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000662286246 419577662 /nfs/dbraw/zinc/57/76/62/419577662.db2.gz OJVNMZQFYTZLFP-NSHDSACASA-N 2 2 257.378 -0.149 20 0 CBADLP Cc1[nH+]ccn1CCC[N@H+](CC[NH3+])C[C@@H](O)CO ZINC000662288593 419578899 /nfs/dbraw/zinc/57/88/99/419578899.db2.gz QSVACVSMEQVXHZ-GFCCVEGCSA-N 3 2 256.350 -0.804 20 0 CBADLP Cc1[nH+]ccn1CCC[N@@H+](CC[NH3+])C[C@@H](O)CO ZINC000662288593 419578908 /nfs/dbraw/zinc/57/89/08/419578908.db2.gz QSVACVSMEQVXHZ-GFCCVEGCSA-N 3 2 256.350 -0.804 20 0 CBADLP C[C@H](CNC(=O)CN1CC[NH2+]CC1=O)[N@H+](C)C1CC1 ZINC000237403990 419580121 /nfs/dbraw/zinc/58/01/21/419580121.db2.gz ZNYVYDCTFXASPA-SNVBAGLBSA-N 2 2 268.361 -0.983 20 0 CBADLP C[C@H](CNC(=O)CN1CC[NH2+]CC1=O)[N@@H+](C)C1CC1 ZINC000237403990 419580125 /nfs/dbraw/zinc/58/01/25/419580125.db2.gz ZNYVYDCTFXASPA-SNVBAGLBSA-N 2 2 268.361 -0.983 20 0 CBADLP CC(=O)N1CCN(C(=O)[C@H](C)[N@H+](C)CC(C)(C)[NH3+])CC1 ZINC000662296945 419580707 /nfs/dbraw/zinc/58/07/07/419580707.db2.gz GKPFNUUWWXKVES-NSHDSACASA-N 2 2 284.404 -0.265 20 0 CBADLP CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+](C)CC(C)(C)[NH3+])CC1 ZINC000662296945 419580716 /nfs/dbraw/zinc/58/07/16/419580716.db2.gz GKPFNUUWWXKVES-NSHDSACASA-N 2 2 284.404 -0.265 20 0 CBADLP C[C@H](CNC(=O)C[NH2+]C[C@H]1CCCO1)[NH+]1CCOCC1 ZINC000237408210 419580697 /nfs/dbraw/zinc/58/06/97/419580697.db2.gz XMKKSMNWLUPXIX-CHWSQXEVSA-N 2 2 285.388 -0.408 20 0 CBADLP C[C@@H](CNC(=O)C[NH2+]C[C@H]1CCCO1)[NH+]1CCOCC1 ZINC000237547376 419580955 /nfs/dbraw/zinc/58/09/55/419580955.db2.gz XMKKSMNWLUPXIX-QWHCGFSZSA-N 2 2 285.388 -0.408 20 0 CBADLP C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+](C)CC(C)(C)[NH3+] ZINC000662297726 419582107 /nfs/dbraw/zinc/58/21/07/419582107.db2.gz PPZREJQEKOYLAF-WDEREUQCSA-N 2 2 284.404 -0.232 20 0 CBADLP C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@@H+](C)CC(C)(C)[NH3+] ZINC000662297726 419582114 /nfs/dbraw/zinc/58/21/14/419582114.db2.gz PPZREJQEKOYLAF-WDEREUQCSA-N 2 2 284.404 -0.232 20 0 CBADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662327809 419583899 /nfs/dbraw/zinc/58/38/99/419583899.db2.gz VRTSDECCGZIKGY-ZIAGYGMSSA-N 3 2 273.421 -0.001 20 0 CBADLP C[NH2+]C[C@@](C)(O)C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662327809 419583906 /nfs/dbraw/zinc/58/39/06/419583906.db2.gz VRTSDECCGZIKGY-ZIAGYGMSSA-N 3 2 273.421 -0.001 20 0 CBADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662327807 419584173 /nfs/dbraw/zinc/58/41/73/419584173.db2.gz VRTSDECCGZIKGY-UONOGXRCSA-N 3 2 273.421 -0.001 20 0 CBADLP C[NH2+]C[C@@](C)(O)C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662327807 419584178 /nfs/dbraw/zinc/58/41/78/419584178.db2.gz VRTSDECCGZIKGY-UONOGXRCSA-N 3 2 273.421 -0.001 20 0 CBADLP C[NH+](C)CCC[C@@H]1C[N@H+](CC(=O)N2CCNC2=O)CCO1 ZINC000662318592 419586386 /nfs/dbraw/zinc/58/63/86/419586386.db2.gz CGLMGLNJBYPEIM-GFCCVEGCSA-N 2 2 298.387 -0.419 20 0 CBADLP C[NH+](C)CCC[C@@H]1C[N@@H+](CC(=O)N2CCNC2=O)CCO1 ZINC000662318592 419586390 /nfs/dbraw/zinc/58/63/90/419586390.db2.gz CGLMGLNJBYPEIM-GFCCVEGCSA-N 2 2 298.387 -0.419 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000238084097 419589358 /nfs/dbraw/zinc/58/93/58/419589358.db2.gz DFMYZUFYSJWZBV-GFCCVEGCSA-N 2 2 280.372 -0.885 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000238084097 419589366 /nfs/dbraw/zinc/58/93/66/419589366.db2.gz DFMYZUFYSJWZBV-GFCCVEGCSA-N 2 2 280.372 -0.885 20 0 CBADLP C[C@@H]1CN(C(=O)CN2CC[NH+](C)CC2)C[C@H](C)[N@H+]1C ZINC000647391816 419592991 /nfs/dbraw/zinc/59/29/91/419592991.db2.gz QUOZAYYPCQYHKM-BETUJISGSA-N 2 2 268.405 -0.215 20 0 CBADLP C[C@@H]1CN(C(=O)CN2CC[NH+](C)CC2)C[C@H](C)[N@@H+]1C ZINC000647391816 419592997 /nfs/dbraw/zinc/59/29/97/419592997.db2.gz QUOZAYYPCQYHKM-BETUJISGSA-N 2 2 268.405 -0.215 20 0 CBADLP CN(C)S(=O)(=O)N1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000647513676 419598077 /nfs/dbraw/zinc/59/80/77/419598077.db2.gz XPXRMBBGGXIGBX-LBPRGKRZSA-N 2 2 290.433 -0.590 20 0 CBADLP C[N@H+](CCN1CCCS1(=O)=O)C[C@H]1CCC[NH2+]C1 ZINC000647518120 419598294 /nfs/dbraw/zinc/59/82/94/419598294.db2.gz FQYWYTMVVMFENU-LBPRGKRZSA-N 2 2 275.418 -0.047 20 0 CBADLP C[N@@H+](CCN1CCCS1(=O)=O)C[C@H]1CCC[NH2+]C1 ZINC000647518120 419598304 /nfs/dbraw/zinc/59/83/04/419598304.db2.gz FQYWYTMVVMFENU-LBPRGKRZSA-N 2 2 275.418 -0.047 20 0 CBADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C(CO)CO ZINC000647515749 419598612 /nfs/dbraw/zinc/59/86/12/419598612.db2.gz IOIPNRHYOSUNHZ-AWEZNQCLSA-N 2 2 268.357 -0.578 20 0 CBADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C(CO)CO ZINC000647515749 419598619 /nfs/dbraw/zinc/59/86/19/419598619.db2.gz IOIPNRHYOSUNHZ-AWEZNQCLSA-N 2 2 268.357 -0.578 20 0 CBADLP [NH3+]C1(CC(=O)NC[C@@H]2CN3CC[N@@H+]2CCC3)CC1 ZINC000398073108 544583821 /nfs/dbraw/zinc/58/38/21/544583821.db2.gz JUQNSVLIFQVDKX-LLVKDONJSA-N 2 2 252.362 -0.626 20 0 CBADLP [NH3+]C1(CC(=O)NC[C@@H]2CN3CC[N@H+]2CCC3)CC1 ZINC000398073108 544583825 /nfs/dbraw/zinc/58/38/25/544583825.db2.gz JUQNSVLIFQVDKX-LLVKDONJSA-N 2 2 252.362 -0.626 20 0 CBADLP CO[C@@H]1CC[C@H](C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])C1 ZINC000662427689 419603792 /nfs/dbraw/zinc/60/37/92/419603792.db2.gz APSWYFRXCYKZTC-QJPTWQEYSA-N 2 2 255.362 -0.097 20 0 CBADLP CO[C@@H]1CC[C@H](C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])C1 ZINC000662427689 419603801 /nfs/dbraw/zinc/60/38/01/419603801.db2.gz APSWYFRXCYKZTC-QJPTWQEYSA-N 2 2 255.362 -0.097 20 0 CBADLP CCOCCOCCCC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000662428945 419603971 /nfs/dbraw/zinc/60/39/71/419603971.db2.gz LPXWXRQZYNUNNQ-CYBMUJFWSA-N 2 2 287.404 -0.079 20 0 CBADLP CCOCCOCCCC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000662428945 419603982 /nfs/dbraw/zinc/60/39/82/419603982.db2.gz LPXWXRQZYNUNNQ-CYBMUJFWSA-N 2 2 287.404 -0.079 20 0 CBADLP CC(C)OC[C@H]([NH3+])C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000662446509 419605477 /nfs/dbraw/zinc/60/54/77/419605477.db2.gz FJWGMXRTZZRFCA-AVGNSLFASA-N 2 2 287.404 -0.036 20 0 CBADLP C[C@H](NC(=O)c1cn(CC[NH3+])nn1)[C@H](C)[NH+]1CCOCC1 ZINC000662446539 419605716 /nfs/dbraw/zinc/60/57/16/419605716.db2.gz GGOMWIQXFGEKMO-QWRGUYRKSA-N 2 2 296.375 -0.924 20 0 CBADLP C[C@@H](NC(=O)c1cn(CC[NH3+])nn1)[C@@H](C)[NH+]1CCOCC1 ZINC000662446537 419606081 /nfs/dbraw/zinc/60/60/81/419606081.db2.gz GGOMWIQXFGEKMO-GHMZBOCLSA-N 2 2 296.375 -0.924 20 0 CBADLP CC1(C)C[N@H+](CCNC(=O)c2cn(CC[NH3+])nn2)CCO1 ZINC000662434709 419607503 /nfs/dbraw/zinc/60/75/03/419607503.db2.gz VWPIQMZNBTUOEU-UHFFFAOYSA-N 2 2 296.375 -0.923 20 0 CBADLP CC1(C)C[N@@H+](CCNC(=O)c2cn(CC[NH3+])nn2)CCO1 ZINC000662434709 419607511 /nfs/dbraw/zinc/60/75/11/419607511.db2.gz VWPIQMZNBTUOEU-UHFFFAOYSA-N 2 2 296.375 -0.923 20 0 CBADLP O=C(C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)NC[C@@H]1CCCO1 ZINC000311823082 419623983 /nfs/dbraw/zinc/62/39/83/419623983.db2.gz FBCHUICXISPBFR-AVGNSLFASA-N 2 2 267.373 -0.035 20 0 CBADLP O=C(C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)NC[C@@H]1CCCO1 ZINC000311823082 419623989 /nfs/dbraw/zinc/62/39/89/419623989.db2.gz FBCHUICXISPBFR-AVGNSLFASA-N 2 2 267.373 -0.035 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)C[NH2+]C(C)C)CC1 ZINC000662525646 419629290 /nfs/dbraw/zinc/62/92/90/419629290.db2.gz JTJGVDLTYOLUCZ-UHFFFAOYSA-N 2 2 270.377 -0.735 20 0 CBADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)C[NH2+]C1CC1 ZINC000662629667 419660857 /nfs/dbraw/zinc/66/08/57/419660857.db2.gz GFUJPLZIFIDJQM-MNOVXSKESA-N 2 2 255.362 -0.036 20 0 CBADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)C[NH2+]C1CC1 ZINC000662629667 419660865 /nfs/dbraw/zinc/66/08/65/419660865.db2.gz GFUJPLZIFIDJQM-MNOVXSKESA-N 2 2 255.362 -0.036 20 0 CBADLP COC[C@]1(C(=O)NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)CC[NH2+]C1 ZINC000662635899 419661897 /nfs/dbraw/zinc/66/18/97/419661897.db2.gz WRSCXSGPPURMRM-YDHLFZDLSA-N 2 2 299.415 -0.162 20 0 CBADLP COC[C@]1(C(=O)NCC[N@H+]2C[C@H](C)OC[C@@H]2C)CC[NH2+]C1 ZINC000662635899 419661902 /nfs/dbraw/zinc/66/19/02/419661902.db2.gz WRSCXSGPPURMRM-YDHLFZDLSA-N 2 2 299.415 -0.162 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)c2cn(CC[NH3+])nn2)[C@@H](C)CO1 ZINC000662635072 419662817 /nfs/dbraw/zinc/66/28/17/419662817.db2.gz UZNPRDOPBLMKBL-WDEREUQCSA-N 2 2 296.375 -0.924 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)c2cn(CC[NH3+])nn2)[C@@H](C)CO1 ZINC000662635072 419662827 /nfs/dbraw/zinc/66/28/27/419662827.db2.gz UZNPRDOPBLMKBL-WDEREUQCSA-N 2 2 296.375 -0.924 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H](N)CC[NH+](C)C)[C@H](C)CO1 ZINC000662635931 419663709 /nfs/dbraw/zinc/66/37/09/419663709.db2.gz WVKFHAXOJCDRJQ-UPJWGTAASA-N 2 2 286.420 -0.509 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H](N)CC[NH+](C)C)[C@H](C)CO1 ZINC000662635931 419663717 /nfs/dbraw/zinc/66/37/17/419663717.db2.gz WVKFHAXOJCDRJQ-UPJWGTAASA-N 2 2 286.420 -0.509 20 0 CBADLP COC[C@]1(C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)CC[NH2+]C1 ZINC000662635896 419664039 /nfs/dbraw/zinc/66/40/39/419664039.db2.gz WRSCXSGPPURMRM-NFAWXSAZSA-N 2 2 299.415 -0.162 20 0 CBADLP COC[C@]1(C(=O)NCC[N@H+]2C[C@@H](C)OC[C@H]2C)CC[NH2+]C1 ZINC000662635896 419664048 /nfs/dbraw/zinc/66/40/48/419664048.db2.gz WRSCXSGPPURMRM-NFAWXSAZSA-N 2 2 299.415 -0.162 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCO[C@@H]1CC1(F)F ZINC000662644784 419667704 /nfs/dbraw/zinc/66/77/04/419667704.db2.gz DGSPOIACZPDGBI-DTWKUNHWSA-N 2 2 265.304 -0.194 20 0 CBADLP CC(=O)N[C@H]1CCCN(C(=O)C[N@H+](C)CCC[NH3+])C1 ZINC000647848446 419668333 /nfs/dbraw/zinc/66/83/33/419668333.db2.gz RMGVPDSRXOPWCJ-LBPRGKRZSA-N 2 2 270.377 -0.606 20 0 CBADLP CC(=O)N[C@H]1CCCN(C(=O)C[N@@H+](C)CCC[NH3+])C1 ZINC000647848446 419668344 /nfs/dbraw/zinc/66/83/44/419668344.db2.gz RMGVPDSRXOPWCJ-LBPRGKRZSA-N 2 2 270.377 -0.606 20 0 CBADLP CC(C)[C@@H]([NH3+])C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000662656655 419668647 /nfs/dbraw/zinc/66/86/47/419668647.db2.gz RJDDUHPAVHPLLE-NWDGAFQWSA-N 2 2 255.362 -0.097 20 0 CBADLP O=C(C[C@H]1C[NH2+]CCO1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000662655817 419668678 /nfs/dbraw/zinc/66/86/78/419668678.db2.gz KXDYUEITIYMPBR-OLZOCXBDSA-N 2 2 283.372 -0.702 20 0 CBADLP CC[C@@H]([NH2+]C)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000662655507 419668961 /nfs/dbraw/zinc/66/89/61/419668961.db2.gz ILDMFBJDPWECJM-VXGBXAGGSA-N 2 2 255.362 -0.083 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC[NH2+]CC1(C)C ZINC000647841335 419669487 /nfs/dbraw/zinc/66/94/87/419669487.db2.gz LUNPCVNZVYPKIX-UHFFFAOYSA-N 2 2 284.404 -0.347 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CC[NH2+]CC1(C)C ZINC000647841335 419669492 /nfs/dbraw/zinc/66/94/92/419669492.db2.gz LUNPCVNZVYPKIX-UHFFFAOYSA-N 2 2 284.404 -0.347 20 0 CBADLP O=C(C[NH2+]CC1CC1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000662655494 419669662 /nfs/dbraw/zinc/66/96/62/419669662.db2.gz IKLBNFDFARMCCJ-CYBMUJFWSA-N 2 2 267.373 -0.081 20 0 CBADLP [NH3+]CC(F)(F)CC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000662656177 419669946 /nfs/dbraw/zinc/66/99/46/419669946.db2.gz NAIRQLNVNANITC-JTQLQIEISA-N 2 2 277.315 -0.096 20 0 CBADLP CC(C)(CNC(=O)[C@@H]1CCO[C@H]1C[NH3+])[NH+]1CCOCC1 ZINC000662661399 419675385 /nfs/dbraw/zinc/67/53/85/419675385.db2.gz BNTMOSFPMQITMQ-NEPJUHHUSA-N 2 2 285.388 -0.423 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000662679568 419677094 /nfs/dbraw/zinc/67/70/94/419677094.db2.gz AJVQEVLSJWYEKU-GRYCIOLGSA-N 2 2 271.361 -0.813 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000662679571 419677518 /nfs/dbraw/zinc/67/75/18/419677518.db2.gz AJVQEVLSJWYEKU-IJLUTSLNSA-N 2 2 271.361 -0.813 20 0 CBADLP C[N@H+]1CCN(C(=O)Cc2cnn3ccccc23)[C@H](C[NH3+])C1 ZINC000647874431 419679845 /nfs/dbraw/zinc/67/98/45/419679845.db2.gz VWXIKASNUHASSO-CYBMUJFWSA-N 2 2 287.367 -0.022 20 0 CBADLP O=C(N1CC[NH+](CCc2cccs2)CC1)C1(O)C[NH2+]C1 ZINC000662681594 419680424 /nfs/dbraw/zinc/68/04/24/419680424.db2.gz JHBOYXKUGDMSLE-UHFFFAOYSA-N 2 2 295.408 -0.231 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000662685322 419680964 /nfs/dbraw/zinc/68/09/64/419680964.db2.gz BJILDSSKHISYIQ-MXWKQRLJSA-N 2 2 252.318 -0.248 20 0 CBADLP C[N@H+]1CCN(C(=O)[C@H]2CCCc3n[nH]cc32)[C@@H](C[NH3+])C1 ZINC000647873515 419681075 /nfs/dbraw/zinc/68/10/75/419681075.db2.gz UYDHXLGDBPGIJB-QWRGUYRKSA-N 2 2 277.372 -0.069 20 0 CBADLP CS(=O)(=O)N1CCC[N@H+](C[C@H]2CC[NH2+]C2)CC1 ZINC000647874748 419681310 /nfs/dbraw/zinc/68/13/10/419681310.db2.gz UBZKCTWIMJFHOF-NSHDSACASA-N 2 2 261.391 -0.437 20 0 CBADLP CS(=O)(=O)N1CCC[N@@H+](C[C@H]2CC[NH2+]C2)CC1 ZINC000647874748 419681327 /nfs/dbraw/zinc/68/13/27/419681327.db2.gz UBZKCTWIMJFHOF-NSHDSACASA-N 2 2 261.391 -0.437 20 0 CBADLP C[C@@H](CNC(=O)C1(O)C[NH2+]C1)[N@@H+]1CCc2sccc2C1 ZINC000662685403 419683036 /nfs/dbraw/zinc/68/30/36/419683036.db2.gz SGQXZMHMALLKFL-JTQLQIEISA-N 2 2 295.408 -0.055 20 0 CBADLP C[C@@H](CNC(=O)C1(O)C[NH2+]C1)[N@H+]1CCc2sccc2C1 ZINC000662685403 419683041 /nfs/dbraw/zinc/68/30/41/419683041.db2.gz SGQXZMHMALLKFL-JTQLQIEISA-N 2 2 295.408 -0.055 20 0 CBADLP CS(=O)(=O)NCC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647904129 419686459 /nfs/dbraw/zinc/68/64/59/419686459.db2.gz XKRWBJRHMRYNKH-NEPJUHHUSA-N 2 2 275.418 0.000 20 0 CBADLP CS(=O)(=O)NCC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647904129 419686467 /nfs/dbraw/zinc/68/64/67/419686467.db2.gz XKRWBJRHMRYNKH-NEPJUHHUSA-N 2 2 275.418 0.000 20 0 CBADLP CS(=O)(=O)NCC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647904131 419686779 /nfs/dbraw/zinc/68/67/79/419686779.db2.gz XKRWBJRHMRYNKH-RYUDHWBXSA-N 2 2 275.418 0.000 20 0 CBADLP CS(=O)(=O)NCC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647904131 419686786 /nfs/dbraw/zinc/68/67/86/419686786.db2.gz XKRWBJRHMRYNKH-RYUDHWBXSA-N 2 2 275.418 0.000 20 0 CBADLP CO[C@H]1CC[N@H+](CCC(=O)N2CC[NH2+]CC2)[C@@H](C[NH3+])C1 ZINC000647907027 419687432 /nfs/dbraw/zinc/68/74/32/419687432.db2.gz ZSEPPLBSIDYLLF-OLZOCXBDSA-N 3 2 284.404 -0.754 20 0 CBADLP O=C(N1CCC(c2[nH]cc[nH+]2)CC1)C1(O)C[NH2+]C1 ZINC000662699854 419689729 /nfs/dbraw/zinc/68/97/29/419689729.db2.gz DVCZNNPJIMSCME-UHFFFAOYSA-N 2 2 250.302 -0.550 20 0 CBADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)C1(O)C[NH2+]C1 ZINC000662696167 419690988 /nfs/dbraw/zinc/69/09/88/419690988.db2.gz VFDAPHCZDRUXCE-UHFFFAOYSA-N 2 2 290.298 -0.038 20 0 CBADLP CC[C@@H]1C[N@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)CC[C@H]1[NH3+] ZINC000647936541 419691323 /nfs/dbraw/zinc/69/13/23/419691323.db2.gz GXLJGTSWPGNWBE-QJPTWQEYSA-N 2 2 284.404 -0.362 20 0 CBADLP CC[C@@H]1C[N@@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)CC[C@H]1[NH3+] ZINC000647936541 419691330 /nfs/dbraw/zinc/69/13/30/419691330.db2.gz GXLJGTSWPGNWBE-QJPTWQEYSA-N 2 2 284.404 -0.362 20 0 CBADLP O=C(N1CCC(n2cc[nH+]c2)CC1)C1(O)C[NH2+]C1 ZINC000662699753 419691603 /nfs/dbraw/zinc/69/16/03/419691603.db2.gz IEHDKLPIIPBZTR-UHFFFAOYSA-N 2 2 250.302 -0.619 20 0 CBADLP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[NH+]1CCC(C)([NH3+])CC1 ZINC000647925298 419692699 /nfs/dbraw/zinc/69/26/99/419692699.db2.gz CGKQSPMTRAAVRN-LLVKDONJSA-N 2 2 296.415 -0.075 20 0 CBADLP C[NH2+]CCN(C)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000417525206 544590857 /nfs/dbraw/zinc/59/08/57/544590857.db2.gz TXYGLFXBLRCYCK-NWDGAFQWSA-N 2 2 272.393 -0.044 20 0 CBADLP C[NH2+]CCN(C)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000417504845 544591070 /nfs/dbraw/zinc/59/10/70/544591070.db2.gz MHIVYJDHXKVSJT-UHFFFAOYSA-N 2 2 272.393 -0.042 20 0 CBADLP C[NH2+]CCN(C)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000417504845 544591072 /nfs/dbraw/zinc/59/10/72/544591072.db2.gz MHIVYJDHXKVSJT-UHFFFAOYSA-N 2 2 272.393 -0.042 20 0 CBADLP [NH3+][C@H]1CCC[C@H](NC(=O)NCC[NH+]2CCOCC2)C1 ZINC000416431662 544591179 /nfs/dbraw/zinc/59/11/79/544591179.db2.gz CBFLSPDGKZTKIP-RYUDHWBXSA-N 2 2 270.377 -0.112 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000662714598 419697265 /nfs/dbraw/zinc/69/72/65/419697265.db2.gz JJNDSYBRBRRJDF-WOPDTQHZSA-N 2 2 271.361 -0.813 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000662714598 419697272 /nfs/dbraw/zinc/69/72/72/419697272.db2.gz JJNDSYBRBRRJDF-WOPDTQHZSA-N 2 2 271.361 -0.813 20 0 CBADLP CC(C)[N@H+](C)C[C@H](O)CN(C)CC[NH+]1CCOCC1 ZINC000647962322 419697650 /nfs/dbraw/zinc/69/76/50/419697650.db2.gz YTOLHFRBMLIRRV-CQSZACIVSA-N 2 2 273.421 -0.049 20 0 CBADLP CC(C)[N@@H+](C)C[C@H](O)CN(C)CC[NH+]1CCOCC1 ZINC000647962322 419697656 /nfs/dbraw/zinc/69/76/56/419697656.db2.gz YTOLHFRBMLIRRV-CQSZACIVSA-N 2 2 273.421 -0.049 20 0 CBADLP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)CCN1CCOCC1 ZINC000647962322 419697664 /nfs/dbraw/zinc/69/76/64/419697664.db2.gz YTOLHFRBMLIRRV-CQSZACIVSA-N 2 2 273.421 -0.049 20 0 CBADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)CCN1CCOCC1 ZINC000647962322 419697667 /nfs/dbraw/zinc/69/76/67/419697667.db2.gz YTOLHFRBMLIRRV-CQSZACIVSA-N 2 2 273.421 -0.049 20 0 CBADLP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)CCN1CCOCC1 ZINC000647962322 419697674 /nfs/dbraw/zinc/69/76/74/419697674.db2.gz YTOLHFRBMLIRRV-CQSZACIVSA-N 2 2 273.421 -0.049 20 0 CBADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)CCN1CCOCC1 ZINC000647962322 419697681 /nfs/dbraw/zinc/69/76/81/419697681.db2.gz YTOLHFRBMLIRRV-CQSZACIVSA-N 2 2 273.421 -0.049 20 0 CBADLP O=C(C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2)N1CCOCC1 ZINC000647957997 419698180 /nfs/dbraw/zinc/69/81/80/419698180.db2.gz CKYFAODPEVPXQI-AWEZNQCLSA-N 2 2 267.373 -0.079 20 0 CBADLP O=C(C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)N1CCOCC1 ZINC000647957997 419698187 /nfs/dbraw/zinc/69/81/87/419698187.db2.gz CKYFAODPEVPXQI-AWEZNQCLSA-N 2 2 267.373 -0.079 20 0 CBADLP Cc1cccn2cc(CCNC(=O)C3(O)C[NH2+]C3)[nH+]c12 ZINC000662733129 419707920 /nfs/dbraw/zinc/70/79/20/419707920.db2.gz CGGFRJXDLJLACY-UHFFFAOYSA-N 2 2 274.324 -0.364 20 0 CBADLP C[NH+]1CCN(C(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)CC1 ZINC000662762816 419709479 /nfs/dbraw/zinc/70/94/79/419709479.db2.gz DMLDDDCMAKJPAS-LBPRGKRZSA-N 2 2 292.387 -0.020 20 0 CBADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662759231 419711924 /nfs/dbraw/zinc/71/19/24/419711924.db2.gz UPVOLVWODPVTLS-SRVKXCTJSA-N 2 2 254.378 -0.524 20 0 CBADLP C[NH+](C)CC(=O)N[C@@]1(C)CCN(C(=O)C[NH+](C)C)C1 ZINC000647728839 419642948 /nfs/dbraw/zinc/64/29/48/419642948.db2.gz MDRPKKLNIDXKIZ-ZDUSSCGKSA-N 2 2 270.377 -0.783 20 0 CBADLP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)CN2CC[NH2+]CC2=O)C1 ZINC000662593151 419646549 /nfs/dbraw/zinc/64/65/49/419646549.db2.gz LPMKYAINJQJBKF-GFCCVEGCSA-N 2 2 296.415 -0.345 20 0 CBADLP CC(C)(C)[N@H+]1CC[C@H](CNC(=O)CN2CC[NH2+]CC2=O)C1 ZINC000662593151 419646561 /nfs/dbraw/zinc/64/65/61/419646561.db2.gz LPMKYAINJQJBKF-GFCCVEGCSA-N 2 2 296.415 -0.345 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C1CC[NH2+]CC1 ZINC000662633344 419657175 /nfs/dbraw/zinc/65/71/75/419657175.db2.gz KCQOIYFEJPXPLW-UHFFFAOYSA-N 3 2 270.421 -0.014 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C1CC[NH2+]CC1 ZINC000662633344 419657191 /nfs/dbraw/zinc/65/71/91/419657191.db2.gz KCQOIYFEJPXPLW-UHFFFAOYSA-N 3 2 270.421 -0.014 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)C[NH2+]C2CC2)[C@H](C)CO1 ZINC000662629666 419657347 /nfs/dbraw/zinc/65/73/47/419657347.db2.gz GFUJPLZIFIDJQM-GHMZBOCLSA-N 2 2 255.362 -0.036 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)C[NH2+]C2CC2)[C@H](C)CO1 ZINC000662629666 419657356 /nfs/dbraw/zinc/65/73/56/419657356.db2.gz GFUJPLZIFIDJQM-GHMZBOCLSA-N 2 2 255.362 -0.036 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]2CCC[NH2+]2)[C@@H](C)CO1 ZINC000662631775 419657511 /nfs/dbraw/zinc/65/75/11/419657511.db2.gz VHQBZSVKLDQRHB-QJPTWQEYSA-N 2 2 255.362 -0.036 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2CCC[NH2+]2)[C@@H](C)CO1 ZINC000662631775 419657519 /nfs/dbraw/zinc/65/75/19/419657519.db2.gz VHQBZSVKLDQRHB-QJPTWQEYSA-N 2 2 255.362 -0.036 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C[NH2+]C1CC1 ZINC000662633246 419658147 /nfs/dbraw/zinc/65/81/47/419658147.db2.gz JOJCUUBVLVDDOZ-UHFFFAOYSA-N 3 2 256.394 -0.262 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C[NH2+]C1CC1 ZINC000662633246 419658160 /nfs/dbraw/zinc/65/81/60/419658160.db2.gz JOJCUUBVLVDDOZ-UHFFFAOYSA-N 3 2 256.394 -0.262 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1C[C@@H]2C[NH+](C)C[C@@H]2C1 ZINC000331372170 419658211 /nfs/dbraw/zinc/65/82/11/419658211.db2.gz GRBGIWNWQILOMC-BETUJISGSA-N 2 2 296.415 -0.537 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1C[C@@H]2C[NH+](C)C[C@@H]2C1 ZINC000331372170 419658221 /nfs/dbraw/zinc/65/82/21/419658221.db2.gz GRBGIWNWQILOMC-BETUJISGSA-N 2 2 296.415 -0.537 20 0 CBADLP CC(C)NC(=O)C[NH+](C)CC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000331372170 419658232 /nfs/dbraw/zinc/65/82/32/419658232.db2.gz GRBGIWNWQILOMC-BETUJISGSA-N 2 2 296.415 -0.537 20 0 CBADLP CC(C)NC(=O)C[NH+](C)CC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000331372170 419658242 /nfs/dbraw/zinc/65/82/42/419658242.db2.gz GRBGIWNWQILOMC-BETUJISGSA-N 2 2 296.415 -0.537 20 0 CBADLP C[C@@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)[C@H](C)[NH3+] ZINC000662630585 419658634 /nfs/dbraw/zinc/65/86/34/419658634.db2.gz FZNKIVPESFTGII-NEPJUHHUSA-N 3 2 258.410 -0.031 20 0 CBADLP C[C@@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)[C@H](C)[NH3+] ZINC000662630585 419658640 /nfs/dbraw/zinc/65/86/40/419658640.db2.gz FZNKIVPESFTGII-NEPJUHHUSA-N 3 2 258.410 -0.031 20 0 CBADLP CC[C@@H]([NH2+]C)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000662630923 419658702 /nfs/dbraw/zinc/65/87/02/419658702.db2.gz IWFFDNQNJMLGSL-GFCCVEGCSA-N 3 2 258.410 -0.016 20 0 CBADLP CC[C@@H]([NH2+]C)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000662630923 419658712 /nfs/dbraw/zinc/65/87/12/419658712.db2.gz IWFFDNQNJMLGSL-GFCCVEGCSA-N 3 2 258.410 -0.016 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000662632127 419658831 /nfs/dbraw/zinc/65/88/31/419658831.db2.gz MVZVWDHNHNPPAA-LBPRGKRZSA-N 3 2 270.421 -0.016 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000662632127 419658839 /nfs/dbraw/zinc/65/88/39/419658839.db2.gz MVZVWDHNHNPPAA-LBPRGKRZSA-N 3 2 270.421 -0.016 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)C[C@H]2C[NH2+]CCO2)[C@H](C)CO1 ZINC000662632141 419658852 /nfs/dbraw/zinc/65/88/52/419658852.db2.gz XXVCQKINDSIYRJ-UPJWGTAASA-N 2 2 285.388 -0.410 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)C[C@H]2C[NH2+]CCO2)[C@H](C)CO1 ZINC000662632141 419658861 /nfs/dbraw/zinc/65/88/61/419658861.db2.gz XXVCQKINDSIYRJ-UPJWGTAASA-N 2 2 285.388 -0.410 20 0 CBADLP CC(C)OC[C@H]([NH3+])C(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000662633425 419659136 /nfs/dbraw/zinc/65/91/36/419659136.db2.gz LAGLFMWIBFZCKC-AGIUHOORSA-N 2 2 287.404 -0.036 20 0 CBADLP CC(C)OC[C@H]([NH3+])C(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000662633425 419659141 /nfs/dbraw/zinc/65/91/41/419659141.db2.gz LAGLFMWIBFZCKC-AGIUHOORSA-N 2 2 287.404 -0.036 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)CCOC2C[NH2+]C2)[C@@H](C)CO1 ZINC000662633071 419659968 /nfs/dbraw/zinc/65/99/68/419659968.db2.gz JEMCQRNUNNEWKX-NWDGAFQWSA-N 2 2 285.388 -0.410 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)CCOC2C[NH2+]C2)[C@@H](C)CO1 ZINC000662633071 419659974 /nfs/dbraw/zinc/65/99/74/419659974.db2.gz JEMCQRNUNNEWKX-NWDGAFQWSA-N 2 2 285.388 -0.410 20 0 CBADLP CO[C@H](C[NH3+])CC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000662633077 419660599 /nfs/dbraw/zinc/66/05/99/419660599.db2.gz JEYSJHXEJGWXPE-WOPDTQHZSA-N 2 2 273.377 -0.424 20 0 CBADLP CO[C@H](C[NH3+])CC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000662633077 419660608 /nfs/dbraw/zinc/66/06/08/419660608.db2.gz JEYSJHXEJGWXPE-WOPDTQHZSA-N 2 2 273.377 -0.424 20 0 CBADLP Cn1cc[nH+]c1CN1CCN(C(=O)[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000662789829 419726267 /nfs/dbraw/zinc/72/62/67/419726267.db2.gz CPZLCSHQOXXXRJ-HAQNSBGRSA-N 2 2 277.372 -0.198 20 0 CBADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C1(O)C[NH2+]C1 ZINC000662794859 419727230 /nfs/dbraw/zinc/72/72/30/419727230.db2.gz QMVZVLGYTMCCBL-UHFFFAOYSA-N 2 2 292.339 -0.501 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NC[C@@H](C)C[NH+](C)C ZINC000341225742 419732820 /nfs/dbraw/zinc/73/28/20/419732820.db2.gz CNGZMSXFCRAAIT-GFCCVEGCSA-N 2 2 286.420 -0.243 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NC[C@@H](C)C[NH+](C)C ZINC000341225742 419732832 /nfs/dbraw/zinc/73/28/32/419732832.db2.gz CNGZMSXFCRAAIT-GFCCVEGCSA-N 2 2 286.420 -0.243 20 0 CBADLP C[C@H](C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1)[NH+]1CCN(C)CC1 ZINC000648124127 419738896 /nfs/dbraw/zinc/73/88/96/419738896.db2.gz RPJPYPBFNNYERT-MGPQQGTHSA-N 2 2 280.416 -0.167 20 0 CBADLP C[C@H](C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)[NH+]1CCN(C)CC1 ZINC000648124125 419739193 /nfs/dbraw/zinc/73/91/93/419739193.db2.gz RPJPYPBFNNYERT-HZSPNIEDSA-N 2 2 280.416 -0.167 20 0 CBADLP C[C@@H]1CC[N@H+](C)CCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000346147209 419786623 /nfs/dbraw/zinc/78/66/23/419786623.db2.gz JDPYQBQGJZCKPA-NEPJUHHUSA-N 2 2 255.362 -0.130 20 0 CBADLP C[C@@H]1CC[N@@H+](C)CCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000346147209 419786634 /nfs/dbraw/zinc/78/66/34/419786634.db2.gz JDPYQBQGJZCKPA-NEPJUHHUSA-N 2 2 255.362 -0.130 20 0 CBADLP C[C@@H]1CC[NH+](C)CCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000346147209 419786644 /nfs/dbraw/zinc/78/66/44/419786644.db2.gz JDPYQBQGJZCKPA-NEPJUHHUSA-N 2 2 255.362 -0.130 20 0 CBADLP C[C@@H]1CC[NH+](C)CCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000346147209 419786653 /nfs/dbraw/zinc/78/66/53/419786653.db2.gz JDPYQBQGJZCKPA-NEPJUHHUSA-N 2 2 255.362 -0.130 20 0 CBADLP O=C([C@H]1C[NH2+]CCC1(F)F)N1CC[NH+](CCO)CC1 ZINC000648136242 419747974 /nfs/dbraw/zinc/74/79/74/419747974.db2.gz LCWUFEQZWBZPNO-SNVBAGLBSA-N 2 2 277.315 -0.632 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)[C@@H](C)CO1 ZINC000662858761 419750343 /nfs/dbraw/zinc/75/03/43/419750343.db2.gz IAFXNDRPEZOKDF-CLPYTZEMSA-N 2 2 267.373 -0.038 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)[C@@H](C)CO1 ZINC000662858761 419750352 /nfs/dbraw/zinc/75/03/52/419750352.db2.gz IAFXNDRPEZOKDF-CLPYTZEMSA-N 2 2 267.373 -0.038 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000662857985 419751534 /nfs/dbraw/zinc/75/15/34/419751534.db2.gz SCIDWYKFCRNRJQ-QWHCGFSZSA-N 3 2 286.420 -0.650 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000662857985 419751542 /nfs/dbraw/zinc/75/15/42/419751542.db2.gz SCIDWYKFCRNRJQ-QWHCGFSZSA-N 3 2 286.420 -0.650 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CC1([NH3+])CC1 ZINC000662857243 419752403 /nfs/dbraw/zinc/75/24/03/419752403.db2.gz ISKJFGHVTJVQNJ-UHFFFAOYSA-N 3 2 256.394 -0.133 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CC1([NH3+])CC1 ZINC000662857243 419752412 /nfs/dbraw/zinc/75/24/12/419752412.db2.gz ISKJFGHVTJVQNJ-UHFFFAOYSA-N 3 2 256.394 -0.133 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)[C@@H](C)CO1 ZINC000662858700 419753529 /nfs/dbraw/zinc/75/35/29/419753529.db2.gz HMQCJTHJFFCIRA-JZRPKSSGSA-N 2 2 267.373 -0.323 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)[C@@H](C)CO1 ZINC000662858700 419753534 /nfs/dbraw/zinc/75/35/34/419753534.db2.gz HMQCJTHJFFCIRA-JZRPKSSGSA-N 2 2 267.373 -0.323 20 0 CBADLP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)NCc1[nH+]ccn1C ZINC000342973588 419753651 /nfs/dbraw/zinc/75/36/51/419753651.db2.gz UFVJLNPADICNRS-NSHDSACASA-N 2 2 293.371 -0.411 20 0 CBADLP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NCc1[nH+]ccn1C ZINC000342973588 419753658 /nfs/dbraw/zinc/75/36/58/419753658.db2.gz UFVJLNPADICNRS-NSHDSACASA-N 2 2 293.371 -0.411 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)[C@H]2CCC[NH2+]2)[C@@H](C)CO1 ZINC000662860902 419756472 /nfs/dbraw/zinc/75/64/72/419756472.db2.gz VHQBZSVKLDQRHB-SDDRHHMPSA-N 2 2 255.362 -0.036 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)[C@H]2CCC[NH2+]2)[C@@H](C)CO1 ZINC000662860902 419756479 /nfs/dbraw/zinc/75/64/79/419756479.db2.gz VHQBZSVKLDQRHB-SDDRHHMPSA-N 2 2 255.362 -0.036 20 0 CBADLP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000662870312 419756833 /nfs/dbraw/zinc/75/68/33/419756833.db2.gz CVWTWVGDLKSIHN-AVGNSLFASA-N 2 2 283.372 -0.717 20 0 CBADLP CC[C@H]1C(=O)N(CC)CCN1C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000662871565 419756844 /nfs/dbraw/zinc/75/68/44/419756844.db2.gz QEUQNYKFWVVIEZ-RYUDHWBXSA-N 2 2 284.404 -0.265 20 0 CBADLP O=C([C@@H]1CSC[NH2+]1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000662871356 419756958 /nfs/dbraw/zinc/75/69/58/419756958.db2.gz YQWIRSNQUDKWNG-QWRGUYRKSA-N 2 2 271.386 -0.418 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)COC2(C)C[NH2+]C2)[C@@H](C)CO1 ZINC000662860685 419757265 /nfs/dbraw/zinc/75/72/65/419757265.db2.gz UEULEDDLOULOAY-NWDGAFQWSA-N 2 2 285.388 -0.410 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)COC2(C)C[NH2+]C2)[C@@H](C)CO1 ZINC000662860685 419757274 /nfs/dbraw/zinc/75/72/74/419757274.db2.gz UEULEDDLOULOAY-NWDGAFQWSA-N 2 2 285.388 -0.410 20 0 CBADLP [NH3+][C@H]1C[C@@H](C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000662870353 419758420 /nfs/dbraw/zinc/75/84/20/419758420.db2.gz FGMFQAQYUYGAIM-GRYCIOLGSA-N 2 2 253.346 -0.343 20 0 CBADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2[NH2+]CC2(C)C)CC1 ZINC000648150319 419758478 /nfs/dbraw/zinc/75/84/78/419758478.db2.gz VRZZWPAIDMLIID-CYBMUJFWSA-N 2 2 296.415 -0.345 20 0 CBADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2[NH2+]CC2(C)C)CC1 ZINC000648150319 419758486 /nfs/dbraw/zinc/75/84/86/419758486.db2.gz VRZZWPAIDMLIID-CYBMUJFWSA-N 2 2 296.415 -0.345 20 0 CBADLP Cn1cc[nH+]c1CN1CCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000648152671 419760339 /nfs/dbraw/zinc/76/03/39/419760339.db2.gz VALUKASZJGFQMN-IMRBUKKESA-N 2 2 289.383 -0.470 20 0 CBADLP CN(CCC[NH3+])C(=O)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000662930328 419780412 /nfs/dbraw/zinc/78/04/12/419780412.db2.gz OZEDVFJTIYOPAN-UHFFFAOYSA-N 2 2 293.371 -0.077 20 0 CBADLP CC1(C)CC[NH2+][C@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000662777321 419716500 /nfs/dbraw/zinc/71/65/00/419716500.db2.gz ANATUTDLDJPSIL-NSHDSACASA-N 2 2 255.362 -0.489 20 0 CBADLP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1Cc1c[nH+]cn1C ZINC000648064781 419717330 /nfs/dbraw/zinc/71/73/30/419717330.db2.gz LKEBSJBEIRENLY-LLVKDONJSA-N 2 2 265.361 -0.028 20 0 CBADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)C[NH2+]C(C)C)CC1 ZINC000662788211 419724521 /nfs/dbraw/zinc/72/45/21/419724521.db2.gz ZFHCYCBNJGXMAN-UHFFFAOYSA-N 2 2 284.404 -0.345 20 0 CBADLP CCNC(=O)C[N@H+]1CCCN(C(=O)C[NH2+]C(C)C)CC1 ZINC000662788211 419724527 /nfs/dbraw/zinc/72/45/27/419724527.db2.gz ZFHCYCBNJGXMAN-UHFFFAOYSA-N 2 2 284.404 -0.345 20 0 CBADLP CN(Cc1c[nH+]c[nH]1)C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000662973389 419800373 /nfs/dbraw/zinc/80/03/73/419800373.db2.gz WVXDSGMXONKJHC-ZYHUDNBSSA-N 2 2 291.355 -0.422 20 0 CBADLP CN(Cc1c[nH]c[nH+]1)C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000662973389 419800382 /nfs/dbraw/zinc/80/03/82/419800382.db2.gz WVXDSGMXONKJHC-ZYHUDNBSSA-N 2 2 291.355 -0.422 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])CC1 ZINC000662986654 419803911 /nfs/dbraw/zinc/80/39/11/419803911.db2.gz HJBSZRASAQLHOA-OLZOCXBDSA-N 2 2 296.415 -0.264 20 0 CBADLP C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)CC[N@@H+]1C ZINC000648815274 419806107 /nfs/dbraw/zinc/80/61/07/419806107.db2.gz KBEFPBGMASDLKV-HZSPNIEDSA-N 2 2 299.415 -0.522 20 0 CBADLP C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)CC[N@H+]1C ZINC000648815274 419806110 /nfs/dbraw/zinc/80/61/10/419806110.db2.gz KBEFPBGMASDLKV-HZSPNIEDSA-N 2 2 299.415 -0.522 20 0 CBADLP C[C@]1(NC(=O)NCC[NH+]2CCOCC2)CC[NH2+]C1 ZINC000663222369 419830380 /nfs/dbraw/zinc/83/03/80/419830380.db2.gz VEBRFZZHTZNCPX-LBPRGKRZSA-N 2 2 256.350 -0.630 20 0 CBADLP OC1CC[NH+](CCCNc2nc[nH+]c3c2OCCN3)CC1 ZINC000663402296 419837589 /nfs/dbraw/zinc/83/75/89/419837589.db2.gz HYBGWPOSSIIUCI-UHFFFAOYSA-N 2 2 293.371 -0.348 20 0 CBADLP OC1CC[NH+](CCCNc2[nH+]cnc3c2OCCN3)CC1 ZINC000663402296 419837594 /nfs/dbraw/zinc/83/75/94/419837594.db2.gz HYBGWPOSSIIUCI-UHFFFAOYSA-N 2 2 293.371 -0.348 20 0 CBADLP C[N@@H+]1CCN(Cc2nc3c(s2)C[NH2+]CC3)[C@@H](C[NH3+])C1 ZINC000663493775 419841486 /nfs/dbraw/zinc/84/14/86/419841486.db2.gz JVPAHDZTASRULC-JTQLQIEISA-N 3 2 281.429 -0.137 20 0 CBADLP C[N@H+]1CCN(Cc2nc3c(s2)C[NH2+]CC3)[C@@H](C[NH3+])C1 ZINC000663493775 419841492 /nfs/dbraw/zinc/84/14/92/419841492.db2.gz JVPAHDZTASRULC-JTQLQIEISA-N 3 2 281.429 -0.137 20 0 CBADLP CC[N@H+](CCO)CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000649216168 419851777 /nfs/dbraw/zinc/85/17/77/419851777.db2.gz VKSZDQOJVQBTNX-GFCCVEGCSA-N 2 2 280.372 -0.124 20 0 CBADLP CC[N@@H+](CCO)CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000649216168 419851783 /nfs/dbraw/zinc/85/17/83/419851783.db2.gz VKSZDQOJVQBTNX-GFCCVEGCSA-N 2 2 280.372 -0.124 20 0 CBADLP C[C@@H]1CN(C(=O)C(=O)N(C)Cc2c[nH+]c[nH]2)C[C@H](C)[NH2+]1 ZINC000662953753 419793401 /nfs/dbraw/zinc/79/34/01/419793401.db2.gz PNJGPOLBYQSCPQ-AOOOYVTPSA-N 2 2 279.344 -0.423 20 0 CBADLP C[C@@H]1CN(C(=O)C(=O)N(C)Cc2c[nH]c[nH+]2)C[C@H](C)[NH2+]1 ZINC000662953753 419793407 /nfs/dbraw/zinc/79/34/07/419793407.db2.gz PNJGPOLBYQSCPQ-AOOOYVTPSA-N 2 2 279.344 -0.423 20 0 CBADLP C[C@H]1CCCN(C(=O)C(=O)N(C)Cc2c[nH+]c[nH]2)[C@@H]1C[NH3+] ZINC000662959165 419794939 /nfs/dbraw/zinc/79/49/39/419794939.db2.gz ZYJYDNJPQLOKOE-CMPLNLGQSA-N 2 2 293.371 -0.046 20 0 CBADLP C[C@H]1CCCN(C(=O)C(=O)N(C)Cc2c[nH]c[nH+]2)[C@@H]1C[NH3+] ZINC000662959165 419794942 /nfs/dbraw/zinc/79/49/42/419794942.db2.gz ZYJYDNJPQLOKOE-CMPLNLGQSA-N 2 2 293.371 -0.046 20 0 CBADLP C[C@@H]1[C@H](C(=O)N2CC[NH+](CCO)CC2)CC[N@@H+]1C ZINC000648729108 419797834 /nfs/dbraw/zinc/79/78/34/419797834.db2.gz GFHVBRKXQVJARR-VXGBXAGGSA-N 2 2 255.362 -0.537 20 0 CBADLP C[C@@H]1[C@H](C(=O)N2CC[NH+](CCO)CC2)CC[N@H+]1C ZINC000648729108 419797837 /nfs/dbraw/zinc/79/78/37/419797837.db2.gz GFHVBRKXQVJARR-VXGBXAGGSA-N 2 2 255.362 -0.537 20 0 CBADLP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCc1[nH+]ccn1C ZINC000355265444 419864540 /nfs/dbraw/zinc/86/45/40/419864540.db2.gz AOYDKFCMLNZCAO-JTQLQIEISA-N 2 2 281.360 -0.507 20 0 CBADLP CC1(OCC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C[NH2+]C1 ZINC000649303690 419870603 /nfs/dbraw/zinc/87/06/03/419870603.db2.gz SYLQIJCQXHCPDT-CYBMUJFWSA-N 2 2 297.399 -0.312 20 0 CBADLP CC1(C)C[N@H+](CCNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CCO1 ZINC000649312044 419876420 /nfs/dbraw/zinc/87/64/20/419876420.db2.gz HKXARNUDCDDDSQ-GDNZZTSVSA-N 2 2 267.373 -0.321 20 0 CBADLP CC1(C)C[N@@H+](CCNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CCO1 ZINC000649312044 419876424 /nfs/dbraw/zinc/87/64/24/419876424.db2.gz HKXARNUDCDDDSQ-GDNZZTSVSA-N 2 2 267.373 -0.321 20 0 CBADLP C[C@H]([NH2+]C1CC1)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000649312513 419879261 /nfs/dbraw/zinc/87/92/61/419879261.db2.gz VVAIUFXWLPZGBB-QWRGUYRKSA-N 2 2 255.362 -0.036 20 0 CBADLP C[C@H]([NH2+]C1CC1)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000649312513 419879267 /nfs/dbraw/zinc/87/92/67/419879267.db2.gz VVAIUFXWLPZGBB-QWRGUYRKSA-N 2 2 255.362 -0.036 20 0 CBADLP C[C@@H](NC(=O)CN1CC[NH2+]CC1=O)C1CC[NH+](C)CC1 ZINC000649314279 419879284 /nfs/dbraw/zinc/87/92/84/419879284.db2.gz XSLYFMSPRHQLFE-LLVKDONJSA-N 2 2 282.388 -0.735 20 0 CBADLP C[C@@H](NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)[C@H](C)[NH+]1CCOCC1 ZINC000649323290 419888935 /nfs/dbraw/zinc/88/89/35/419888935.db2.gz SXEMNPPNMPKVFK-FHUSYTEZSA-N 2 2 267.373 -0.323 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H]3COCC[NH2+]3)C2)CC1 ZINC000649334042 419896079 /nfs/dbraw/zinc/89/60/79/419896079.db2.gz DARXMUJAGAIODI-TZMCWYRMSA-N 3 2 296.415 -0.741 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@H]3COCC[NH2+]3)C2)CC1 ZINC000649334042 419896082 /nfs/dbraw/zinc/89/60/82/419896082.db2.gz DARXMUJAGAIODI-TZMCWYRMSA-N 3 2 296.415 -0.741 20 0 CBADLP C[NH+]1CCN(C(=O)CCNC(=O)c2ccc(C[NH3+])o2)CC1 ZINC000649291606 419861262 /nfs/dbraw/zinc/86/12/62/419861262.db2.gz DNGJSXIFORISQQ-UHFFFAOYSA-N 2 2 294.355 -0.368 20 0 CBADLP CN1C[C@@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)CC1=O ZINC000664331257 419898564 /nfs/dbraw/zinc/89/85/64/419898564.db2.gz PAYUQMKKBXUEQH-LBPRGKRZSA-N 2 2 299.419 -0.600 20 0 CBADLP CN1C[C@@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)CC1=O ZINC000664331257 419898568 /nfs/dbraw/zinc/89/85/68/419898568.db2.gz PAYUQMKKBXUEQH-LBPRGKRZSA-N 2 2 299.419 -0.600 20 0 CBADLP C[C@@H](NC(=O)NC[C@]1(O)CC[N@@H+](C)C1)c1[nH+]ccn1C ZINC000667251669 544658085 /nfs/dbraw/zinc/65/80/85/544658085.db2.gz RPILXLAUWSEEML-ZWNOBZJWSA-N 2 2 281.360 -0.153 20 0 CBADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649352159 419904072 /nfs/dbraw/zinc/90/40/72/419904072.db2.gz XXGFOZDXLALBID-NDBYEHHHSA-N 2 2 266.389 -0.796 20 0 CBADLP CCN(C(=O)C(=O)NCc1[nH+]ccn1C)[C@@H]1CC[N@H+](C)C1 ZINC000668810877 544722511 /nfs/dbraw/zinc/72/25/11/544722511.db2.gz IYVZJCHWLHVZTL-LLVKDONJSA-N 2 2 293.371 -0.411 20 0 CBADLP CCN(C(=O)C(=O)NCc1[nH+]ccn1C)[C@@H]1CC[N@@H+](C)C1 ZINC000668810877 544722515 /nfs/dbraw/zinc/72/25/15/544722515.db2.gz IYVZJCHWLHVZTL-LLVKDONJSA-N 2 2 293.371 -0.411 20 0 CBADLP O=C1NC(=O)[C@@H]2C[N@H+](Cc3ccnn3-c3cc[nH+]cc3)C[C@H]12 ZINC000668217522 544688726 /nfs/dbraw/zinc/68/87/26/544688726.db2.gz JBMXAYDFNJNNQL-BETUJISGSA-N 2 2 297.318 -0.028 20 0 CBADLP O=C1NC(=O)[C@@H]2C[N@@H+](Cc3ccnn3-c3cc[nH+]cc3)C[C@H]12 ZINC000668217522 544688732 /nfs/dbraw/zinc/68/87/32/544688732.db2.gz JBMXAYDFNJNNQL-BETUJISGSA-N 2 2 297.318 -0.028 20 0 CBADLP NC(=O)c1cccnc1N1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000649411662 419910792 /nfs/dbraw/zinc/91/07/92/419910792.db2.gz POECNPDHMFUICC-GFCCVEGCSA-N 2 2 289.383 -0.088 20 0 CBADLP Cc1cc(N2CC[C@@H]([N@H+](C)C[C@H](O)C[NH3+])C2=O)n(C)n1 ZINC000649419794 419910923 /nfs/dbraw/zinc/91/09/23/419910923.db2.gz LYIUFJAZLWBUOY-GHMZBOCLSA-N 2 2 281.360 -0.915 20 0 CBADLP Cc1cc(N2CC[C@@H]([N@@H+](C)C[C@H](O)C[NH3+])C2=O)n(C)n1 ZINC000649419794 419910926 /nfs/dbraw/zinc/91/09/26/419910926.db2.gz LYIUFJAZLWBUOY-GHMZBOCLSA-N 2 2 281.360 -0.915 20 0 CBADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCOC2(C[NH2+]C2)C1 ZINC000664727701 419914059 /nfs/dbraw/zinc/91/40/59/419914059.db2.gz OLFXFAOQQLGBLT-LLVKDONJSA-N 2 2 276.340 -0.354 20 0 CBADLP CN(C(=O)[C@@H]1CC(=O)N1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000668616642 544711194 /nfs/dbraw/zinc/71/11/94/544711194.db2.gz FZYJAZIORFMZGO-OLZOCXBDSA-N 2 2 294.399 -0.498 20 0 CBADLP CN(C(=O)[C@@H]1CC(=O)N1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000668616642 544711197 /nfs/dbraw/zinc/71/11/97/544711197.db2.gz FZYJAZIORFMZGO-OLZOCXBDSA-N 2 2 294.399 -0.498 20 0 CBADLP COc1cccc(CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])n1 ZINC000669430482 544748975 /nfs/dbraw/zinc/74/89/75/544748975.db2.gz GPOMMVMUYBXYJD-LBPRGKRZSA-N 2 2 293.371 -0.126 20 0 CBADLP COc1cccc(CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])n1 ZINC000669430482 544748977 /nfs/dbraw/zinc/74/89/77/544748977.db2.gz GPOMMVMUYBXYJD-LBPRGKRZSA-N 2 2 293.371 -0.126 20 0 CBADLP C[C@H]([NH3+])CNC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000669457054 544749679 /nfs/dbraw/zinc/74/96/79/544749679.db2.gz DNVJFLLWUZPPHA-JTQLQIEISA-N 2 2 258.366 -0.256 20 0 CBADLP C[C@H]([NH3+])CNC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000669457054 544749683 /nfs/dbraw/zinc/74/96/83/544749683.db2.gz DNVJFLLWUZPPHA-JTQLQIEISA-N 2 2 258.366 -0.256 20 0 CBADLP C[C@H](NC(=O)N1CC[NH2+][C@H](C)C1)[C@H]1C[N@H+](C)CCO1 ZINC000669538168 544752489 /nfs/dbraw/zinc/75/24/89/544752489.db2.gz BXUYVXJAQPYWAI-GRYCIOLGSA-N 2 2 270.377 -0.291 20 0 CBADLP C[C@H](NC(=O)N1CC[NH2+][C@H](C)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000669538168 544752492 /nfs/dbraw/zinc/75/24/92/544752492.db2.gz BXUYVXJAQPYWAI-GRYCIOLGSA-N 2 2 270.377 -0.291 20 0 CBADLP C[N@@H+]1CCN(C(=O)NC[C@]2(C)CCCO2)[C@@H](C[NH3+])C1 ZINC000669525204 544752704 /nfs/dbraw/zinc/75/27/04/544752704.db2.gz LSMWRHRHNQHLKO-AAEUAGOBSA-N 2 2 270.377 -0.160 20 0 CBADLP C[N@H+]1CCN(C(=O)NC[C@]2(C)CCCO2)[C@@H](C[NH3+])C1 ZINC000669525204 544752706 /nfs/dbraw/zinc/75/27/06/544752706.db2.gz LSMWRHRHNQHLKO-AAEUAGOBSA-N 2 2 270.377 -0.160 20 0 CBADLP C[C@@H]1C[C@@H](NC(=O)N2CC[NH+](C)C[C@H]2C[NH3+])C[N@@H+]1C1CC1 ZINC000669524699 544753100 /nfs/dbraw/zinc/75/31/00/544753100.db2.gz ZIANSXUTKKJTKZ-YRGRVCCFSA-N 3 2 295.431 -0.104 20 0 CBADLP C[C@@H]1C[C@@H](NC(=O)N2CC[NH+](C)C[C@H]2C[NH3+])C[N@H+]1C1CC1 ZINC000669524699 544753104 /nfs/dbraw/zinc/75/31/04/544753104.db2.gz ZIANSXUTKKJTKZ-YRGRVCCFSA-N 3 2 295.431 -0.104 20 0 CBADLP C[C@@H]1C[C@@H](NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])C[NH+]1C1CC1 ZINC000669524699 544753107 /nfs/dbraw/zinc/75/31/07/544753107.db2.gz ZIANSXUTKKJTKZ-YRGRVCCFSA-N 3 2 295.431 -0.104 20 0 CBADLP C[C@@H]1C[C@@H](NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])C[NH+]1C1CC1 ZINC000669524699 544753112 /nfs/dbraw/zinc/75/31/12/544753112.db2.gz ZIANSXUTKKJTKZ-YRGRVCCFSA-N 3 2 295.431 -0.104 20 0 CBADLP C[N@@H+]1CCN(C(=O)NCCCOC(F)F)[C@@H](C[NH3+])C1 ZINC000669581553 544753645 /nfs/dbraw/zinc/75/36/45/544753645.db2.gz DTTIWTTYSPSFQT-VIFPVBQESA-N 2 2 280.319 -0.100 20 0 CBADLP C[N@H+]1CCN(C(=O)NCCCOC(F)F)[C@@H](C[NH3+])C1 ZINC000669581553 544753649 /nfs/dbraw/zinc/75/36/49/544753649.db2.gz DTTIWTTYSPSFQT-VIFPVBQESA-N 2 2 280.319 -0.100 20 0 CBADLP COCC1(C(=O)NCC[N@@H+]2CCOC[C@H]2C)CC[NH2+]CC1 ZINC000358852258 419923421 /nfs/dbraw/zinc/92/34/21/419923421.db2.gz FXSDOASUKIZKBA-CYBMUJFWSA-N 2 2 299.415 -0.161 20 0 CBADLP COCC1(C(=O)NCC[N@H+]2CCOC[C@H]2C)CC[NH2+]CC1 ZINC000358852258 419923427 /nfs/dbraw/zinc/92/34/27/419923427.db2.gz FXSDOASUKIZKBA-CYBMUJFWSA-N 2 2 299.415 -0.161 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000358848462 419923863 /nfs/dbraw/zinc/92/38/63/419923863.db2.gz AZXJWFAVZWNSOQ-GXTWGEPZSA-N 2 2 296.415 -0.345 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCc3c[nH]nc3C2)CC1 ZINC000669932102 544768415 /nfs/dbraw/zinc/76/84/15/544768415.db2.gz TUROJCOUISXVRW-UHFFFAOYSA-N 2 2 277.372 -0.068 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCc3cn[nH]c3C2)CC1 ZINC000669932102 544768416 /nfs/dbraw/zinc/76/84/16/544768416.db2.gz TUROJCOUISXVRW-UHFFFAOYSA-N 2 2 277.372 -0.068 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCc3cn[nH]c3C2)CC1 ZINC000669932102 544768418 /nfs/dbraw/zinc/76/84/18/544768418.db2.gz TUROJCOUISXVRW-UHFFFAOYSA-N 2 2 277.372 -0.068 20 0 CBADLP Cn1c[nH+]c(CCNC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)c1 ZINC000665108965 419931461 /nfs/dbraw/zinc/93/14/61/419931461.db2.gz BUOLGQVAITVOGF-RYUDHWBXSA-N 2 2 281.360 -0.721 20 0 CBADLP CCOC[C@H](O)C[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649687842 419926180 /nfs/dbraw/zinc/92/61/80/419926180.db2.gz HRQGTURMPIOFBN-GFCCVEGCSA-N 2 2 273.377 -0.910 20 0 CBADLP CCOC[C@H](O)C[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649687842 419926187 /nfs/dbraw/zinc/92/61/87/419926187.db2.gz HRQGTURMPIOFBN-GFCCVEGCSA-N 2 2 273.377 -0.910 20 0 CBADLP C[C@H]1C[N@H+](CCN2CCN(CC[NH+](C)C)C(=O)C2)CCO1 ZINC000649685858 419927000 /nfs/dbraw/zinc/92/70/00/419927000.db2.gz OOKWCODVIDDEIF-AWEZNQCLSA-N 2 2 298.431 -0.587 20 0 CBADLP C[C@H]1C[N@@H+](CCN2CCN(CC[NH+](C)C)C(=O)C2)CCO1 ZINC000649685858 419927002 /nfs/dbraw/zinc/92/70/02/419927002.db2.gz OOKWCODVIDDEIF-AWEZNQCLSA-N 2 2 298.431 -0.587 20 0 CBADLP CC(=O)[C@](C)(O)C[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649684991 419927069 /nfs/dbraw/zinc/92/70/69/419927069.db2.gz KBOIWHRWQDVFEP-CYBMUJFWSA-N 2 2 271.361 -0.968 20 0 CBADLP CC(=O)[C@](C)(O)C[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649684991 419927071 /nfs/dbraw/zinc/92/70/71/419927071.db2.gz KBOIWHRWQDVFEP-CYBMUJFWSA-N 2 2 271.361 -0.968 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649685547 419927157 /nfs/dbraw/zinc/92/71/57/419927157.db2.gz DDHDVNGXOUUENM-AWEZNQCLSA-N 2 2 298.431 -0.587 20 0 CBADLP C[C@@H](CN1CCOCC1)[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649685547 419927160 /nfs/dbraw/zinc/92/71/60/419927160.db2.gz DDHDVNGXOUUENM-AWEZNQCLSA-N 2 2 298.431 -0.587 20 0 CBADLP C[C@@H](CN1CCOCC1)[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649685547 419927163 /nfs/dbraw/zinc/92/71/63/419927163.db2.gz DDHDVNGXOUUENM-AWEZNQCLSA-N 2 2 298.431 -0.587 20 0 CBADLP [NH3+]Cc1cc(=O)[nH]c(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])n1 ZINC000665295018 419937518 /nfs/dbraw/zinc/93/75/18/419937518.db2.gz ZRNZEDWNKYYWBZ-PSASIEDQSA-N 3 2 251.334 -0.142 20 0 CBADLP CO[C@@H]1CC[N@H+](CCC(=O)N2CCOCC2)[C@H](C[NH3+])C1 ZINC000359038657 419937777 /nfs/dbraw/zinc/93/77/77/419937777.db2.gz GBXITEHVDBFTAW-QWHCGFSZSA-N 2 2 285.388 -0.327 20 0 CBADLP CO[C@@H]1CC[N@@H+](CCC(=O)N2CCOCC2)[C@H](C[NH3+])C1 ZINC000359038657 419937781 /nfs/dbraw/zinc/93/77/81/419937781.db2.gz GBXITEHVDBFTAW-QWHCGFSZSA-N 2 2 285.388 -0.327 20 0 CBADLP CO[C@H]1CC[N@H+](CCCS(=O)(=O)N(C)C)[C@@H](C[NH3+])C1 ZINC000359040896 419937996 /nfs/dbraw/zinc/93/79/96/419937996.db2.gz IQKIHURQWZLUNP-NEPJUHHUSA-N 2 2 293.433 -0.294 20 0 CBADLP CO[C@H]1CC[N@@H+](CCCS(=O)(=O)N(C)C)[C@@H](C[NH3+])C1 ZINC000359040896 419938002 /nfs/dbraw/zinc/93/80/02/419938002.db2.gz IQKIHURQWZLUNP-NEPJUHHUSA-N 2 2 293.433 -0.294 20 0 CBADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@@H](C)S(C)(=O)=O ZINC000665299631 419938321 /nfs/dbraw/zinc/93/83/21/419938321.db2.gz QRJQXXQTSZWZAQ-GMTAPVOTSA-N 2 2 264.391 -0.224 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@H]1CCNC1=O ZINC000665327096 419939949 /nfs/dbraw/zinc/93/99/49/419939949.db2.gz MCFFILRBCKGCDZ-NSHDSACASA-N 2 2 285.392 -0.942 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@H]1CCNC1=O ZINC000665327096 419939951 /nfs/dbraw/zinc/93/99/51/419939951.db2.gz MCFFILRBCKGCDZ-NSHDSACASA-N 2 2 285.392 -0.942 20 0 CBADLP CC[N@H+](CCNC(=O)C(=O)N1CC[NH+](CC)CC1)C1CC1 ZINC000359274469 419952976 /nfs/dbraw/zinc/95/29/76/419952976.db2.gz DEAINYSQHLXBDY-UHFFFAOYSA-N 2 2 296.415 -0.249 20 0 CBADLP CC[N@@H+](CCNC(=O)C(=O)N1CC[NH+](CC)CC1)C1CC1 ZINC000359274469 419952984 /nfs/dbraw/zinc/95/29/84/419952984.db2.gz DEAINYSQHLXBDY-UHFFFAOYSA-N 2 2 296.415 -0.249 20 0 CBADLP CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000359272878 419953298 /nfs/dbraw/zinc/95/32/98/419953298.db2.gz IYFLKBKLFZOIBZ-HZSPNIEDSA-N 2 2 294.399 -0.735 20 0 CBADLP CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000359272878 419953305 /nfs/dbraw/zinc/95/33/05/419953305.db2.gz IYFLKBKLFZOIBZ-HZSPNIEDSA-N 2 2 294.399 -0.735 20 0 CBADLP O=C(C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)NCCCN1CCCC1=O ZINC000359276007 419953758 /nfs/dbraw/zinc/95/37/58/419953758.db2.gz LOMVZJUBYCDDFB-CHWSQXEVSA-N 2 2 294.399 -0.734 20 0 CBADLP O=C(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)NCCCN1CCCC1=O ZINC000359275996 419953898 /nfs/dbraw/zinc/95/38/98/419953898.db2.gz LOMVZJUBYCDDFB-BETUJISGSA-N 2 2 294.399 -0.734 20 0 CBADLP O=C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)NCCCN1CCCC1=O ZINC000359275996 419953905 /nfs/dbraw/zinc/95/39/05/419953905.db2.gz LOMVZJUBYCDDFB-BETUJISGSA-N 2 2 294.399 -0.734 20 0 CBADLP CC[NH+]1CCC(NC(=O)C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000359306552 419956618 /nfs/dbraw/zinc/95/66/18/419956618.db2.gz MMXWEXRUDFFRBD-CHWSQXEVSA-N 3 2 280.416 -0.262 20 0 CBADLP C[C@@H](C(=O)N(C)CC[NH+](C)C)[NH+]1CCN(C)CC1 ZINC000359582417 419974906 /nfs/dbraw/zinc/97/49/06/419974906.db2.gz DSRMLEFSAPRYBL-LBPRGKRZSA-N 2 2 256.394 -0.358 20 0 CBADLP CC[NH+]1CCN(CC(=O)N[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000359956504 419997228 /nfs/dbraw/zinc/99/72/28/419997228.db2.gz XPDPMCCMPKCUJJ-CQSZACIVSA-N 2 2 298.431 -0.539 20 0 CBADLP COCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CSC[NH2+]2)C1 ZINC000360168069 420006670 /nfs/dbraw/zinc/00/66/70/420006670.db2.gz BFHDWGWILXEPML-NXEZZACHSA-N 2 2 259.375 -0.514 20 0 CBADLP COCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CSC[NH2+]2)C1 ZINC000360168069 420006675 /nfs/dbraw/zinc/00/66/75/420006675.db2.gz BFHDWGWILXEPML-NXEZZACHSA-N 2 2 259.375 -0.514 20 0 CBADLP O=C([C@@H]1CSC[NH2+]1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000360172889 420006809 /nfs/dbraw/zinc/00/68/09/420006809.db2.gz ZHAHOUWZUKCVKZ-JTQLQIEISA-N 2 2 281.385 -0.284 20 0 CBADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1CSC[NH2+]1 ZINC000360172895 420007476 /nfs/dbraw/zinc/00/74/76/420007476.db2.gz ZHWYHDNBIWLMQI-MNOVXSKESA-N 2 2 272.418 -0.599 20 0 CBADLP C[NH+]1CCN(CCCNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000360185532 420010723 /nfs/dbraw/zinc/01/07/23/420010723.db2.gz ZPPQSMOOBOOCLL-CYBMUJFWSA-N 2 2 284.404 -0.929 20 0 CBADLP C[NH+]1CCN(CCCNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000360185532 420010728 /nfs/dbraw/zinc/01/07/28/420010728.db2.gz ZPPQSMOOBOOCLL-CYBMUJFWSA-N 2 2 284.404 -0.929 20 0 CBADLP CN1CC[NH+](CCCNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000360185532 420010732 /nfs/dbraw/zinc/01/07/32/420010732.db2.gz ZPPQSMOOBOOCLL-CYBMUJFWSA-N 2 2 284.404 -0.929 20 0 CBADLP CN1CC[NH+](CCCNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000360185532 420010734 /nfs/dbraw/zinc/01/07/34/420010734.db2.gz ZPPQSMOOBOOCLL-CYBMUJFWSA-N 2 2 284.404 -0.929 20 0 CBADLP NC(=O)c1c[nH+]ccc1N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000651450976 420013396 /nfs/dbraw/zinc/01/33/96/420013396.db2.gz IJQKIGLBCBDWQV-SNVBAGLBSA-N 2 2 262.313 -0.564 20 0 CBADLP NC(=O)c1c[nH+]ccc1N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000651450976 420013401 /nfs/dbraw/zinc/01/34/01/420013401.db2.gz IJQKIGLBCBDWQV-SNVBAGLBSA-N 2 2 262.313 -0.564 20 0 CBADLP CN(C)c1nc(NC[C@](C)(O)C[NH+]2CCOCC2)cc[nH+]1 ZINC000361100608 420019393 /nfs/dbraw/zinc/01/93/93/420019393.db2.gz YTJZZJWSXPLOQJ-AWEZNQCLSA-N 2 2 295.387 0.038 20 0 CBADLP CC(C)NC(=O)C[N@@H+]1CCCN(C(=O)C2([NH3+])CC2)CC1 ZINC000361720083 420021771 /nfs/dbraw/zinc/02/17/71/420021771.db2.gz XBKUWSHGYPZHRW-UHFFFAOYSA-N 2 2 282.388 -0.463 20 0 CBADLP CC(C)NC(=O)C[N@H+]1CCCN(C(=O)C2([NH3+])CC2)CC1 ZINC000361720083 420021776 /nfs/dbraw/zinc/02/17/76/420021776.db2.gz XBKUWSHGYPZHRW-UHFFFAOYSA-N 2 2 282.388 -0.463 20 0 CBADLP COC(=O)[C@H]1C[C@H](NC(=O)c2ccc(C[NH3+])cc2)C[NH2+]1 ZINC000365756543 420068987 /nfs/dbraw/zinc/06/89/87/420068987.db2.gz FNIHMCWOXOHLBM-NWDGAFQWSA-N 2 2 277.324 -0.221 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[NH+](CCO)[C@@H](C)C2)C1 ZINC000364593415 420044343 /nfs/dbraw/zinc/04/43/43/420044343.db2.gz WROLJDDXWDWBTE-MJBXVCDLSA-N 2 2 299.415 -0.379 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[NH+](CCO)[C@@H](C)C2)C1 ZINC000364593415 420044345 /nfs/dbraw/zinc/04/43/45/420044345.db2.gz WROLJDDXWDWBTE-MJBXVCDLSA-N 2 2 299.415 -0.379 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)C1 ZINC000364593415 420044349 /nfs/dbraw/zinc/04/43/49/420044349.db2.gz WROLJDDXWDWBTE-MJBXVCDLSA-N 2 2 299.415 -0.379 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)C1 ZINC000364593415 420044353 /nfs/dbraw/zinc/04/43/53/420044353.db2.gz WROLJDDXWDWBTE-MJBXVCDLSA-N 2 2 299.415 -0.379 20 0 CBADLP COC(=O)[C@H]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C[NH2+]1 ZINC000365758274 420069663 /nfs/dbraw/zinc/06/96/63/420069663.db2.gz MZEHFKQFVOBTSB-HBNTYKKESA-N 2 2 271.361 -0.408 20 0 CBADLP CCO[C@@H]1CN(C(=O)NCc2[nH+]ccn2C)C[C@H]1C[NH3+] ZINC000652146430 420047947 /nfs/dbraw/zinc/04/79/47/420047947.db2.gz UIWPNWYAMWEFBL-GHMZBOCLSA-N 2 2 281.360 -0.075 20 0 CBADLP C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000364924579 420047990 /nfs/dbraw/zinc/04/79/90/420047990.db2.gz AXEBENUBUFZMMU-CHWSQXEVSA-N 2 2 292.383 -0.030 20 0 CBADLP C[C@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC[N@@H+]1CCO ZINC000364913202 420048561 /nfs/dbraw/zinc/04/85/61/420048561.db2.gz FPHLLAXZVCOPEH-STQMWFEESA-N 2 2 292.383 -0.030 20 0 CBADLP C[C@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC[N@H+]1CCO ZINC000364913202 420048565 /nfs/dbraw/zinc/04/85/65/420048565.db2.gz FPHLLAXZVCOPEH-STQMWFEESA-N 2 2 292.383 -0.030 20 0 CBADLP C[N@@H+]1CCN(C(=O)NCCC2(C[NH3+])CC2)[C@@H](C[NH3+])C1 ZINC000652231899 420053926 /nfs/dbraw/zinc/05/39/26/420053926.db2.gz JVKXIVKXOSXRRL-NSHDSACASA-N 3 2 269.393 -0.600 20 0 CBADLP C[N@H+]1CCN(C(=O)NCCC2(C[NH3+])CC2)[C@@H](C[NH3+])C1 ZINC000652231899 420053930 /nfs/dbraw/zinc/05/39/30/420053930.db2.gz JVKXIVKXOSXRRL-NSHDSACASA-N 3 2 269.393 -0.600 20 0 CBADLP CCO[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC[C@@H]2CCCO2)C[C@H]1C[NH3+] ZINC000652358256 420059354 /nfs/dbraw/zinc/05/93/54/420059354.db2.gz OWOFTJMFZXBRJD-RFQIPJPRSA-N 2 2 299.415 -0.034 20 0 CBADLP CCO[C@@H]1C[N@H+]([C@@H](C)C(=O)NC[C@@H]2CCCO2)C[C@H]1C[NH3+] ZINC000652358256 420059359 /nfs/dbraw/zinc/05/93/59/420059359.db2.gz OWOFTJMFZXBRJD-RFQIPJPRSA-N 2 2 299.415 -0.034 20 0 CBADLP COC(=O)[C@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C[NH2+]1 ZINC000365671747 420065788 /nfs/dbraw/zinc/06/57/88/420065788.db2.gz FOXJASYAAWOOEY-PJSNJIKXSA-N 2 2 295.383 -0.073 20 0 CBADLP COC(=O)[C@H]1C[C@H](NC(=O)CCCCCC[NH3+])C[NH2+]1 ZINC000365751208 420065900 /nfs/dbraw/zinc/06/59/00/420065900.db2.gz AXUZPPNLNKSVHS-WDEREUQCSA-N 2 2 271.361 -0.085 20 0 CBADLP COC(=O)[C@H]1C[C@H](NC(=O)[C@@H]([NH3+])CC(C)C)C[NH2+]1 ZINC000365695514 420067350 /nfs/dbraw/zinc/06/73/50/420067350.db2.gz OYVJGGYZERODFT-LPEHRKFASA-N 2 2 257.334 -0.621 20 0 CBADLP C[C@@H](CNC(=O)[C@H]([NH3+])CC[NH+](C)C)[NH+]1CCCC1 ZINC000653347592 420142117 /nfs/dbraw/zinc/14/21/17/420142117.db2.gz HBQGAHWQCNVBPF-NWDGAFQWSA-N 3 2 256.394 -0.134 20 0 CBADLP C[C@@H]1CN(C(=O)CO)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000367454596 420106228 /nfs/dbraw/zinc/10/62/28/420106228.db2.gz SQLNLBVKLJOUCV-LLVKDONJSA-N 2 2 255.362 -0.394 20 0 CBADLP C[C@@H]1CN(C(=O)CO)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000367454596 420106231 /nfs/dbraw/zinc/10/62/31/420106231.db2.gz SQLNLBVKLJOUCV-LLVKDONJSA-N 2 2 255.362 -0.394 20 0 CBADLP C[C@H](CC(=O)N[C@H](CO)CN1CCOCC1)n1cc[nH+]c1 ZINC000653028702 420106864 /nfs/dbraw/zinc/10/68/64/420106864.db2.gz GPHVTBIPHIUJSX-OLZOCXBDSA-N 2 2 296.371 -0.357 20 0 CBADLP C[C@H](CC(=O)N[C@H](CO)C[NH+]1CCOCC1)n1cc[nH+]c1 ZINC000653028702 420106868 /nfs/dbraw/zinc/10/68/68/420106868.db2.gz GPHVTBIPHIUJSX-OLZOCXBDSA-N 2 2 296.371 -0.357 20 0 CBADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000653040861 420108274 /nfs/dbraw/zinc/10/82/74/420108274.db2.gz SDSDBFQPDKXXSW-BXUZGUMPSA-N 2 2 290.367 -0.277 20 0 CBADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000653040861 420108281 /nfs/dbraw/zinc/10/82/81/420108281.db2.gz SDSDBFQPDKXXSW-BXUZGUMPSA-N 2 2 290.367 -0.277 20 0 CBADLP O=C(Cc1cn2c([nH+]1)CCCC2)NCCN1CC[NH2+]CC1 ZINC000653045575 420109846 /nfs/dbraw/zinc/10/98/46/420109846.db2.gz ZKVYZHRNBUWVPD-UHFFFAOYSA-N 2 2 291.399 -0.217 20 0 CBADLP C[N@@H+]1CCN(C(=O)[C@H]2CCC[NH2+]CC2)[C@@H](C[NH3+])C1 ZINC000653055206 420111080 /nfs/dbraw/zinc/11/10/80/420111080.db2.gz VMXXNIVBMMNXBO-RYUDHWBXSA-N 3 2 254.378 -0.523 20 0 CBADLP C[N@H+]1CCN(C(=O)[C@H]2CCC[NH2+]CC2)[C@@H](C[NH3+])C1 ZINC000653055206 420111085 /nfs/dbraw/zinc/11/10/85/420111085.db2.gz VMXXNIVBMMNXBO-RYUDHWBXSA-N 3 2 254.378 -0.523 20 0 CBADLP C[N@@H+]1CCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])[C@@H](C[NH3+])C1 ZINC000653054970 420111766 /nfs/dbraw/zinc/11/17/66/420111766.db2.gz DJIMHQULLKMTSG-SDDRHHMPSA-N 3 2 254.378 -0.395 20 0 CBADLP C[N@H+]1CCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])[C@@H](C[NH3+])C1 ZINC000653054970 420111768 /nfs/dbraw/zinc/11/17/68/420111768.db2.gz DJIMHQULLKMTSG-SDDRHHMPSA-N 3 2 254.378 -0.395 20 0 CBADLP C[N@@H+]1CCN(C(=O)[C@@H]2CCC[NH2+]CC2)[C@@H](C[NH3+])C1 ZINC000653055204 420111967 /nfs/dbraw/zinc/11/19/67/420111967.db2.gz VMXXNIVBMMNXBO-NEPJUHHUSA-N 3 2 254.378 -0.523 20 0 CBADLP C[N@H+]1CCN(C(=O)[C@@H]2CCC[NH2+]CC2)[C@@H](C[NH3+])C1 ZINC000653055204 420111969 /nfs/dbraw/zinc/11/19/69/420111969.db2.gz VMXXNIVBMMNXBO-NEPJUHHUSA-N 3 2 254.378 -0.523 20 0 CBADLP CCNC(=O)N1CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653061856 420112125 /nfs/dbraw/zinc/11/21/25/420112125.db2.gz BKSSTZBDQOADJV-NSHDSACASA-N 2 2 285.392 -0.861 20 0 CBADLP C[NH2+]CCC(=O)NC[C@@]1([NH+]2CCOCC2)CCCOC1 ZINC000367642182 420112397 /nfs/dbraw/zinc/11/23/97/420112397.db2.gz HOVNPEPJOXZVIY-AWEZNQCLSA-N 2 2 285.388 -0.407 20 0 CBADLP CC[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653080546 420112551 /nfs/dbraw/zinc/11/25/51/420112551.db2.gz KZHAKWQCRUPBAF-GARJFASQSA-N 2 2 272.393 -0.315 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCCOCC(F)(F)F ZINC000653064475 420112897 /nfs/dbraw/zinc/11/28/97/420112897.db2.gz WCTXBQMBZQKMAU-MRVPVSSYSA-N 2 2 271.283 -0.040 20 0 CBADLP C[C@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)C(=O)NC(C)(C)C ZINC000653078216 420113712 /nfs/dbraw/zinc/11/37/12/420113712.db2.gz ZOVGTQFAALBURX-VHSXEESVSA-N 2 2 272.393 -0.315 20 0 CBADLP CCCN(CC(=O)N(C)C)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653076391 420113892 /nfs/dbraw/zinc/11/38/92/420113892.db2.gz UEDZRCMMFIFUSC-NSHDSACASA-N 2 2 272.393 -0.408 20 0 CBADLP C[C@@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)C(=O)NC(C)(C)C ZINC000653078214 420113918 /nfs/dbraw/zinc/11/39/18/420113918.db2.gz ZOVGTQFAALBURX-NXEZZACHSA-N 2 2 272.393 -0.315 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653111002 420116450 /nfs/dbraw/zinc/11/64/50/420116450.db2.gz AMZHHRCZLBBYKJ-MDZLAQPJSA-N 2 2 264.329 -0.376 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@@H](N)CC[NH+](C)C)CC1 ZINC000653107516 420116615 /nfs/dbraw/zinc/11/66/15/420116615.db2.gz MYVGGZGPSSVFMI-LBPRGKRZSA-N 2 2 272.393 -0.944 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653107516 420116618 /nfs/dbraw/zinc/11/66/18/420116618.db2.gz MYVGGZGPSSVFMI-LBPRGKRZSA-N 3 2 272.393 -0.944 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCC[NH+]1CCSCC1 ZINC000653110323 420117064 /nfs/dbraw/zinc/11/70/64/420117064.db2.gz CUIHJXLFBHDYRQ-LLVKDONJSA-N 3 2 274.434 -0.570 20 0 CBADLP C[C@H]1CN(C(=O)C2C[NH2+]C2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000367824990 420117462 /nfs/dbraw/zinc/11/74/62/420117462.db2.gz QRDOREMOHZRZCH-LBPRGKRZSA-N 3 2 280.416 -0.167 20 0 CBADLP C[C@H]1CN(C(=O)C2C[NH2+]C2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000367824990 420117467 /nfs/dbraw/zinc/11/74/67/420117467.db2.gz QRDOREMOHZRZCH-LBPRGKRZSA-N 3 2 280.416 -0.167 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000653105757 420117551 /nfs/dbraw/zinc/11/75/51/420117551.db2.gz IOVMZCTZOZGLFZ-ZIAGYGMSSA-N 3 2 298.431 -0.411 20 0 CBADLP CCOCC[NH+]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1 ZINC000653108211 420117569 /nfs/dbraw/zinc/11/75/69/420117569.db2.gz NFMXYDFVJKHDAM-ZFWWWQNUSA-N 2 2 297.399 -0.597 20 0 CBADLP C[C@H]1[NH2+]CCC[C@H]1C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000367990772 420118757 /nfs/dbraw/zinc/11/87/57/420118757.db2.gz YVQOQNACNLUAIV-HZSPNIEDSA-N 2 2 299.415 -0.474 20 0 CBADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653116843 420118960 /nfs/dbraw/zinc/11/89/60/420118960.db2.gz WENLMTXJZQXSRT-STQMWFEESA-N 3 2 286.420 -0.508 20 0 CBADLP COCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653116843 420118967 /nfs/dbraw/zinc/11/89/67/420118967.db2.gz WENLMTXJZQXSRT-STQMWFEESA-N 3 2 286.420 -0.508 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000653117923 420119541 /nfs/dbraw/zinc/11/95/41/420119541.db2.gz ZPPBFKHMJXYPAB-CHWSQXEVSA-N 3 2 268.405 -0.134 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000653117923 420119547 /nfs/dbraw/zinc/11/95/47/420119547.db2.gz ZPPBFKHMJXYPAB-CHWSQXEVSA-N 3 2 268.405 -0.134 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000653116456 420119981 /nfs/dbraw/zinc/11/99/81/420119981.db2.gz HNYAPGYJOXHOSJ-MJBXVCDLSA-N 3 2 298.431 -0.677 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000653115200 420120097 /nfs/dbraw/zinc/12/00/97/420120097.db2.gz GNVFCOTVUKYMLQ-QWHCGFSZSA-N 3 2 268.405 -0.038 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000653117926 420120196 /nfs/dbraw/zinc/12/01/96/420120196.db2.gz ZPPBFKHMJXYPAB-STQMWFEESA-N 3 2 268.405 -0.134 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000653117926 420120197 /nfs/dbraw/zinc/12/01/97/420120197.db2.gz ZPPBFKHMJXYPAB-STQMWFEESA-N 3 2 268.405 -0.134 20 0 CBADLP COCCN(CC[NH+](C)C)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653149902 420122745 /nfs/dbraw/zinc/12/27/45/420122745.db2.gz KYERABQVODRHJA-GFCCVEGCSA-N 3 2 274.409 -0.698 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000653148750 420123628 /nfs/dbraw/zinc/12/36/28/420123628.db2.gz KCRMUSQGZAYHIP-NEPJUHHUSA-N 3 2 256.394 -0.182 20 0 CBADLP CCO[C@@H]1C[C@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)[C@@H]1OC ZINC000653159890 420124683 /nfs/dbraw/zinc/12/46/83/420124683.db2.gz RLMXWODLKDFZKI-YFKTTZPYSA-N 2 2 273.377 -0.426 20 0 CBADLP CC(C)C(=O)NCCN(C)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653159015 420124995 /nfs/dbraw/zinc/12/49/95/420124995.db2.gz RFJSZBGQFSDBFU-NSHDSACASA-N 2 2 272.393 -0.504 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H]1CCN(C(C)(C)C)C1=O ZINC000653167116 420125958 /nfs/dbraw/zinc/12/59/58/420125958.db2.gz JKMSRVYWYHGXEL-WDEREUQCSA-N 2 2 284.404 -0.219 20 0 CBADLP CCN1C[C@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)CC1=O ZINC000653168371 420126041 /nfs/dbraw/zinc/12/60/41/420126041.db2.gz ZYADOIPJKPPUOI-ZJUUUORDSA-N 2 2 256.350 -0.998 20 0 CBADLP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)CN1CC[NH2+]CC1=O)C2 ZINC000653198198 420128185 /nfs/dbraw/zinc/12/81/85/420128185.db2.gz MJEGIPHCARWQQN-FZMZJTMJSA-N 2 2 280.372 -0.994 20 0 CBADLP CCO[C@@H]1CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C[C@H]1C[NH3+] ZINC000653249249 420131144 /nfs/dbraw/zinc/13/11/44/420131144.db2.gz UBOXFSZUTXIQPR-IJLUTSLNSA-N 3 2 272.393 -0.912 20 0 CBADLP COCCOCC[NH+]1CCN(C(=O)C2([NH3+])CC2)CC1 ZINC000653275295 420133310 /nfs/dbraw/zinc/13/33/10/420133310.db2.gz AVCPRXSSNDJHLW-UHFFFAOYSA-N 2 2 271.361 -0.715 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000368495943 420135832 /nfs/dbraw/zinc/13/58/32/420135832.db2.gz XZZUSOJOOCZNIO-SNVBAGLBSA-N 2 2 277.315 -0.226 20 0 CBADLP C[C@H](CNC(=O)[C@H]([NH3+])CC[NH+](C)C)[NH+]1CCCC1 ZINC000653347594 420140948 /nfs/dbraw/zinc/14/09/48/420140948.db2.gz HBQGAHWQCNVBPF-VXGBXAGGSA-N 3 2 256.394 -0.134 20 0 CBADLP C[NH+](C)C/C=C/C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000366464300 420085964 /nfs/dbraw/zinc/08/59/64/420085964.db2.gz FTWDVVGZCIUUMG-AAOUONPWSA-N 2 2 252.362 -0.780 20 0 CBADLP C[N@@H+]1CC[C@@]2(CC[NH+](CC(=O)N3CCNC3=O)C2)C1 ZINC000366498381 420086761 /nfs/dbraw/zinc/08/67/61/420086761.db2.gz SNPDGISGAPGMEV-CYBMUJFWSA-N 2 2 266.345 -0.434 20 0 CBADLP C[N@H+]1CC[C@@]2(CC[NH+](CC(=O)N3CCNC3=O)C2)C1 ZINC000366498381 420086763 /nfs/dbraw/zinc/08/67/63/420086763.db2.gz SNPDGISGAPGMEV-CYBMUJFWSA-N 2 2 266.345 -0.434 20 0 CBADLP C[NH+]1CC[C@@]2(CC[N@H+](CC(=O)N3CCNC3=O)C2)C1 ZINC000366498381 420086767 /nfs/dbraw/zinc/08/67/67/420086767.db2.gz SNPDGISGAPGMEV-CYBMUJFWSA-N 2 2 266.345 -0.434 20 0 CBADLP C[NH+]1CC[C@@]2(CC[N@@H+](CC(=O)N3CCNC3=O)C2)C1 ZINC000366498381 420086770 /nfs/dbraw/zinc/08/67/70/420086770.db2.gz SNPDGISGAPGMEV-CYBMUJFWSA-N 2 2 266.345 -0.434 20 0 CBADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N(C)CC[NH+]2CCOCC2)C1 ZINC000366732834 420093068 /nfs/dbraw/zinc/09/30/68/420093068.db2.gz AFMKDBXINBIJIY-AWEZNQCLSA-N 2 2 299.415 -0.114 20 0 CBADLP CC(C)[N@H+]1CCO[C@H](C(=O)N(C)CC[NH+]2CCOCC2)C1 ZINC000366732834 420093073 /nfs/dbraw/zinc/09/30/73/420093073.db2.gz AFMKDBXINBIJIY-AWEZNQCLSA-N 2 2 299.415 -0.114 20 0 CBADLP COCC[C@]1(C(=O)N[C@H](C)C[NH+]2CCOCC2)CC[NH2+]C1 ZINC000370762909 420184883 /nfs/dbraw/zinc/18/48/83/420184883.db2.gz COBQRNUWDJTDHL-UKRRQHHQSA-N 2 2 299.415 -0.161 20 0 CBADLP [NH3+]CCCC(=O)NC[C@@]1([NH+]2CCOCC2)CCCOC1 ZINC000370769892 420185924 /nfs/dbraw/zinc/18/59/24/420185924.db2.gz AKBCTVROKWSMTA-AWEZNQCLSA-N 2 2 285.388 -0.277 20 0 CBADLP C[C@@H](O)C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC000654745224 420193370 /nfs/dbraw/zinc/19/33/70/420193370.db2.gz PAMROIZRCRKEMK-QWHCGFSZSA-N 2 2 269.389 -0.147 20 0 CBADLP C[C@@H](O)C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC000654745224 420193374 /nfs/dbraw/zinc/19/33/74/420193374.db2.gz PAMROIZRCRKEMK-QWHCGFSZSA-N 2 2 269.389 -0.147 20 0 CBADLP C[C@@H]1C[C@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)[C@H](C)O1 ZINC000385057319 420199857 /nfs/dbraw/zinc/19/98/57/420199857.db2.gz CKLPHZIFYMQOIM-WOPDTQHZSA-N 2 2 255.362 -0.084 20 0 CBADLP C[N@H+](C[C@@H](O)C[NH2+]C[C@@H](O)C(F)(F)F)C1CC1 ZINC000383990740 420200205 /nfs/dbraw/zinc/20/02/05/420200205.db2.gz NDBAMWWXNGZRLZ-DTWKUNHWSA-N 2 2 256.268 -0.046 20 0 CBADLP C[N@@H+](C[C@@H](O)C[NH2+]C[C@@H](O)C(F)(F)F)C1CC1 ZINC000383990740 420200207 /nfs/dbraw/zinc/20/02/07/420200207.db2.gz NDBAMWWXNGZRLZ-DTWKUNHWSA-N 2 2 256.268 -0.046 20 0 CBADLP C[C@@H]1C[C@@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)[C@H](C)O1 ZINC000385057311 420200661 /nfs/dbraw/zinc/20/06/61/420200661.db2.gz CKLPHZIFYMQOIM-GRYCIOLGSA-N 2 2 255.362 -0.084 20 0 CBADLP C[C@@H]1C[C@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)[C@@H](C)O1 ZINC000385057317 420201223 /nfs/dbraw/zinc/20/12/23/420201223.db2.gz CKLPHZIFYMQOIM-UTUOFQBUSA-N 2 2 255.362 -0.084 20 0 CBADLP C[N@H+](C[C@@H](O)C[NH2+]CC(=O)N1CCCC1)C1CC1 ZINC000386319239 420203710 /nfs/dbraw/zinc/20/37/10/420203710.db2.gz IEXCDWPKMSSNLO-LBPRGKRZSA-N 2 2 255.362 -0.347 20 0 CBADLP C[N@@H+](C[C@@H](O)C[NH2+]CC(=O)N1CCCC1)C1CC1 ZINC000386319239 420203714 /nfs/dbraw/zinc/20/37/14/420203714.db2.gz IEXCDWPKMSSNLO-LBPRGKRZSA-N 2 2 255.362 -0.347 20 0 CBADLP COCC[N@H+](C)C[C@H](O)CN1CCn2cc(C)[nH+]c2C1 ZINC000653612190 420151430 /nfs/dbraw/zinc/15/14/30/420151430.db2.gz CHEQMQKKLIHLOV-ZDUSSCGKSA-N 2 2 282.388 -0.054 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](NC(=O)NC)C1 ZINC000653618381 420152231 /nfs/dbraw/zinc/15/22/31/420152231.db2.gz DKDXKKRJBHQUKP-WDEREUQCSA-N 2 2 258.366 -0.698 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](NC(=O)NC)C1 ZINC000653618381 420152236 /nfs/dbraw/zinc/15/22/36/420152236.db2.gz DKDXKKRJBHQUKP-WDEREUQCSA-N 2 2 258.366 -0.698 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)NC)C1 ZINC000653618381 420152238 /nfs/dbraw/zinc/15/22/38/420152238.db2.gz DKDXKKRJBHQUKP-WDEREUQCSA-N 2 2 258.366 -0.698 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](NC(=O)NC)C1 ZINC000653618381 420152241 /nfs/dbraw/zinc/15/22/41/420152241.db2.gz DKDXKKRJBHQUKP-WDEREUQCSA-N 2 2 258.366 -0.698 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCNC(=O)C[C@H]1C ZINC000653593715 420152454 /nfs/dbraw/zinc/15/24/54/420152454.db2.gz MDICGDYPFUNMNX-NEPJUHHUSA-N 2 2 273.377 -0.864 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCNC(=O)C[C@H]1C ZINC000653593715 420152457 /nfs/dbraw/zinc/15/24/57/420152457.db2.gz MDICGDYPFUNMNX-NEPJUHHUSA-N 2 2 273.377 -0.864 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCNC(=O)C[C@H]1C ZINC000653593715 420152462 /nfs/dbraw/zinc/15/24/62/420152462.db2.gz MDICGDYPFUNMNX-NEPJUHHUSA-N 2 2 273.377 -0.864 20 0 CBADLP CC[C@H](O)C[NH+]1CCC(N2CC[N@H+](C)CC2=O)CC1 ZINC000369079877 420152569 /nfs/dbraw/zinc/15/25/69/420152569.db2.gz YUCGOZYAAVGJOS-ZDUSSCGKSA-N 2 2 269.389 -0.004 20 0 CBADLP CC[C@H](O)C[NH+]1CCC(N2CC[N@@H+](C)CC2=O)CC1 ZINC000369079877 420152575 /nfs/dbraw/zinc/15/25/75/420152575.db2.gz YUCGOZYAAVGJOS-ZDUSSCGKSA-N 2 2 269.389 -0.004 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@]12CCNC2=O ZINC000653717278 420157945 /nfs/dbraw/zinc/15/79/45/420157945.db2.gz ODASTADPBMJSMR-GXTWGEPZSA-N 2 2 285.388 -0.720 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@]12CCNC2=O ZINC000653717278 420157946 /nfs/dbraw/zinc/15/79/46/420157946.db2.gz ODASTADPBMJSMR-GXTWGEPZSA-N 2 2 285.388 -0.720 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@]12CCNC2=O ZINC000653717278 420157950 /nfs/dbraw/zinc/15/79/50/420157950.db2.gz ODASTADPBMJSMR-GXTWGEPZSA-N 2 2 285.388 -0.720 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@]12CCNC2=O ZINC000653717278 420157953 /nfs/dbraw/zinc/15/79/53/420157953.db2.gz ODASTADPBMJSMR-GXTWGEPZSA-N 2 2 285.388 -0.720 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000653829337 420167822 /nfs/dbraw/zinc/16/78/22/420167822.db2.gz JYLQIKLPYQEEQY-HZSPNIEDSA-N 2 2 269.389 -0.542 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000653829337 420167825 /nfs/dbraw/zinc/16/78/25/420167825.db2.gz JYLQIKLPYQEEQY-HZSPNIEDSA-N 2 2 269.389 -0.542 20 0 CBADLP C[C@@H](C(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1)[NH+](C)C ZINC000653884997 420170305 /nfs/dbraw/zinc/17/03/05/420170305.db2.gz CBFFPPZQOCDQHV-TUAOUCFPSA-N 2 2 257.378 -0.150 20 0 CBADLP C[C@@H](C(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1)[NH+](C)C ZINC000653884997 420170308 /nfs/dbraw/zinc/17/03/08/420170308.db2.gz CBFFPPZQOCDQHV-TUAOUCFPSA-N 2 2 257.378 -0.150 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C[C@H](C)O)C1CC1 ZINC000653903012 420172657 /nfs/dbraw/zinc/17/26/57/420172657.db2.gz CCXJDIKIJGPURG-WCQYABFASA-N 2 2 260.378 -0.229 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C[C@H](C)O)C1CC1 ZINC000653903012 420172660 /nfs/dbraw/zinc/17/26/60/420172660.db2.gz CCXJDIKIJGPURG-WCQYABFASA-N 2 2 260.378 -0.229 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C[C@H](C)O)C1CC1 ZINC000653903012 420172663 /nfs/dbraw/zinc/17/26/63/420172663.db2.gz CCXJDIKIJGPURG-WCQYABFASA-N 2 2 260.378 -0.229 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C[C@H](C)O)C1CC1 ZINC000653903012 420172666 /nfs/dbraw/zinc/17/26/66/420172666.db2.gz CCXJDIKIJGPURG-WCQYABFASA-N 2 2 260.378 -0.229 20 0 CBADLP CCO[C@@H]1C[N@H+](CC(=O)NC[C@@H]2CCCO2)C[C@H]1C[NH3+] ZINC000405196155 420226111 /nfs/dbraw/zinc/22/61/11/420226111.db2.gz BWYHXOMOZIORPN-FRRDWIJNSA-N 2 2 285.388 -0.423 20 0 CBADLP CCO[C@@H]1C[N@@H+](CC(=O)NC[C@@H]2CCCO2)C[C@H]1C[NH3+] ZINC000405196155 420226114 /nfs/dbraw/zinc/22/61/14/420226114.db2.gz BWYHXOMOZIORPN-FRRDWIJNSA-N 2 2 285.388 -0.423 20 0 CBADLP CN(C)C(=O)C[NH+]1CCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000405773421 420228605 /nfs/dbraw/zinc/22/86/05/420228605.db2.gz KNBHKAZBNZWQHD-QWHCGFSZSA-N 2 2 296.415 -0.264 20 0 CBADLP O=C([C@@H]1CC[C@@H](C2CC2)[NH2+]1)N1CC[NH+](CCO)CC1 ZINC000407251662 420228980 /nfs/dbraw/zinc/22/89/80/420228980.db2.gz HHHKDHROBQGPJX-STQMWFEESA-N 2 2 267.373 -0.347 20 0 CBADLP O=C([C@@H]1CC[C@H](C2CC2)[NH2+]1)N1CC[NH+](CCO)CC1 ZINC000407251656 420229186 /nfs/dbraw/zinc/22/91/86/420229186.db2.gz HHHKDHROBQGPJX-OLZOCXBDSA-N 2 2 267.373 -0.347 20 0 CBADLP C[C@H](C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)[NH+]1CCSCC1 ZINC000655295656 420236970 /nfs/dbraw/zinc/23/69/70/420236970.db2.gz FTWBFKVKITYXLS-FRRDWIJNSA-N 2 2 299.440 -0.299 20 0 CBADLP C[C@H](C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)[NH+]1CCSCC1 ZINC000655295656 420236974 /nfs/dbraw/zinc/23/69/74/420236974.db2.gz FTWBFKVKITYXLS-FRRDWIJNSA-N 2 2 299.440 -0.299 20 0 CBADLP CC(C)(C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)c1c[nH+]c[nH]1 ZINC000655294753 420239292 /nfs/dbraw/zinc/23/92/92/420239292.db2.gz FSFWFLWONSLNKG-WDEREUQCSA-N 2 2 278.356 -0.035 20 0 CBADLP CC(C)(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)c1c[nH+]c[nH]1 ZINC000655294753 420239295 /nfs/dbraw/zinc/23/92/95/420239295.db2.gz FSFWFLWONSLNKG-WDEREUQCSA-N 2 2 278.356 -0.035 20 0 CBADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655299178 420241075 /nfs/dbraw/zinc/24/10/75/420241075.db2.gz WGQULIDHFOQAJO-FRRDWIJNSA-N 2 2 290.367 -0.277 20 0 CBADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655299178 420241077 /nfs/dbraw/zinc/24/10/77/420241077.db2.gz WGQULIDHFOQAJO-FRRDWIJNSA-N 2 2 290.367 -0.277 20 0 CBADLP CC(C)[C@@H]([NH3+])CNC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000417018877 420241908 /nfs/dbraw/zinc/24/19/08/420241908.db2.gz FXENIHKEYROUNQ-NEPJUHHUSA-N 2 2 272.393 -0.010 20 0 CBADLP O=C(NCCCN1CC[NH2+]CC1)[C@H]1CCc2[nH+]ccn2C1 ZINC000655411908 420245593 /nfs/dbraw/zinc/24/55/93/420245593.db2.gz ZGDNWOOKTDJKAS-ZDUSSCGKSA-N 2 2 291.399 -0.143 20 0 CBADLP C[NH2+]CCN(C)C(=O)C(=O)NCCCNc1cccc[nH+]1 ZINC000419643311 420245799 /nfs/dbraw/zinc/24/57/99/420245799.db2.gz IZZCKUXXDBKETH-UHFFFAOYSA-N 2 2 293.371 -0.322 20 0 CBADLP C[N@@H+]1CCN(C(=O)[C@@H]2C[C@]23CCC[NH2+]C3)[C@@H](C[NH3+])C1 ZINC000655418513 420247369 /nfs/dbraw/zinc/24/73/69/420247369.db2.gz ACYKPRYTHYRHGW-OBJOEFQTSA-N 3 2 266.389 -0.523 20 0 CBADLP C[N@H+]1CCN(C(=O)[C@@H]2C[C@]23CCC[NH2+]C3)[C@@H](C[NH3+])C1 ZINC000655418513 420247372 /nfs/dbraw/zinc/24/73/72/420247372.db2.gz ACYKPRYTHYRHGW-OBJOEFQTSA-N 3 2 266.389 -0.523 20 0 CBADLP CN1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)[C@@H](C[NH3+])C1 ZINC000655419258 420248468 /nfs/dbraw/zinc/24/84/68/420248468.db2.gz PNKWKDWAMVCZCR-RYUDHWBXSA-N 2 2 277.372 -0.453 20 0 CBADLP CC(C)c1nc(NC[C@@H]2C[NH2+]CCN2C)nc(N(C)C)[nH+]1 ZINC000420278642 420251627 /nfs/dbraw/zinc/25/16/27/420251627.db2.gz RSRSUUXRGKSZTR-NSHDSACASA-N 2 2 293.419 0.377 20 0 CBADLP COCC[NH2+]CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000655451202 420252040 /nfs/dbraw/zinc/25/20/40/420252040.db2.gz DXWIVFRIDRNKAI-NSHDSACASA-N 2 2 266.345 -0.202 20 0 CBADLP c1cnc(NCC[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)cn1 ZINC000422888997 420253436 /nfs/dbraw/zinc/25/34/36/420253436.db2.gz OLDFRLGYIDNNCM-TZMCWYRMSA-N 2 2 277.372 0.245 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000423610836 420256981 /nfs/dbraw/zinc/25/69/81/420256981.db2.gz NBMXHRXRPHDVLA-VXGBXAGGSA-N 2 2 284.404 -0.348 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000423610836 420256986 /nfs/dbraw/zinc/25/69/86/420256986.db2.gz NBMXHRXRPHDVLA-VXGBXAGGSA-N 2 2 284.404 -0.348 20 0 CBADLP O[C@@H]1COC[C@H]1[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655771783 420270082 /nfs/dbraw/zinc/27/00/82/420270082.db2.gz FRBLQUPJNHADMS-BFHYXJOUSA-N 2 2 270.373 -0.021 20 0 CBADLP CN1C(=O)CC[C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1=O ZINC000655779004 420270841 /nfs/dbraw/zinc/27/08/41/420270841.db2.gz ZXMJYIBMYOFSBB-QWHCGFSZSA-N 2 2 295.383 -0.023 20 0 CBADLP [NH3+]C[C@H]1CCC[N@H+](CC(=O)NCC(=O)N2CCCC2)C1 ZINC000430604633 420271785 /nfs/dbraw/zinc/27/17/85/420271785.db2.gz OIWSOEZOTXTGOM-GFCCVEGCSA-N 2 2 282.388 -0.604 20 0 CBADLP [NH3+]C[C@H]1CCC[N@@H+](CC(=O)NCC(=O)N2CCCC2)C1 ZINC000430604633 420271789 /nfs/dbraw/zinc/27/17/89/420271789.db2.gz OIWSOEZOTXTGOM-GFCCVEGCSA-N 2 2 282.388 -0.604 20 0 CBADLP C[N@H+](CC(=O)NCC(=O)N1CCCC1)C1CC[NH2+]CC1 ZINC000430607143 420272539 /nfs/dbraw/zinc/27/25/39/420272539.db2.gz XKUHKSXKHFRAMH-UHFFFAOYSA-N 2 2 282.388 -0.591 20 0 CBADLP C[N@@H+](CC(=O)NCC(=O)N1CCCC1)C1CC[NH2+]CC1 ZINC000430607143 420272543 /nfs/dbraw/zinc/27/25/43/420272543.db2.gz XKUHKSXKHFRAMH-UHFFFAOYSA-N 2 2 282.388 -0.591 20 0 CBADLP CN1CC[N@H+](C)[C@H](CNC(=O)N[C@H](C[NH3+])C(F)(F)F)C1 ZINC000655917327 420275302 /nfs/dbraw/zinc/27/53/02/420275302.db2.gz PMEUKCUXQKIKPM-RKDXNWHRSA-N 2 2 297.325 -0.579 20 0 CBADLP CN1CC[N@@H+](C)[C@H](CNC(=O)N[C@H](C[NH3+])C(F)(F)F)C1 ZINC000655917327 420275303 /nfs/dbraw/zinc/27/53/03/420275303.db2.gz PMEUKCUXQKIKPM-RKDXNWHRSA-N 2 2 297.325 -0.579 20 0 CBADLP C[NH+](C)[C@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@@H]1O ZINC000655094481 420220415 /nfs/dbraw/zinc/22/04/15/420220415.db2.gz LDTGLZFOGMXZTL-WOPDTQHZSA-N 2 2 278.356 -0.421 20 0 CBADLP Cc1nc(NC[C@H]2C[N@H+](C)CCN2C)nc(N(C)C)[nH+]1 ZINC000488384323 420307250 /nfs/dbraw/zinc/30/72/50/420307250.db2.gz YXKJQVVFBNVJKP-NSHDSACASA-N 2 2 279.392 -0.096 20 0 CBADLP Cc1nc(NC[C@H]2C[N@@H+](C)CCN2C)nc(N(C)C)[nH+]1 ZINC000488384323 420307255 /nfs/dbraw/zinc/30/72/55/420307255.db2.gz YXKJQVVFBNVJKP-NSHDSACASA-N 2 2 279.392 -0.096 20 0 CBADLP CN(CCC[NH3+])Cc1cn(-c2cc[nH+]c(CO)c2)nn1 ZINC000656459682 420311749 /nfs/dbraw/zinc/31/17/49/420311749.db2.gz XGIYMHGOEAHGJL-UHFFFAOYSA-N 2 2 276.344 -0.065 20 0 CBADLP CN1C[C@H](C[NH+]2CCC([N@H+](C)CCO)CC2)OC1=O ZINC000496809247 420329483 /nfs/dbraw/zinc/32/94/83/420329483.db2.gz HFJPJGVVUVIYHW-GFCCVEGCSA-N 2 2 271.361 -0.175 20 0 CBADLP CN1C[C@H](C[NH+]2CCC([N@@H+](C)CCO)CC2)OC1=O ZINC000496809247 420329487 /nfs/dbraw/zinc/32/94/87/420329487.db2.gz HFJPJGVVUVIYHW-GFCCVEGCSA-N 2 2 271.361 -0.175 20 0 CBADLP CC[C@H]1C[C@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)CO1 ZINC000657334053 420353237 /nfs/dbraw/zinc/35/32/37/420353237.db2.gz KAFWESMERRWVNB-RYUDHWBXSA-N 2 2 255.362 -0.083 20 0 CBADLP CS(=O)(=O)N1CC(C[NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000657440800 420354831 /nfs/dbraw/zinc/35/48/31/420354831.db2.gz JFNZTYPDYVNGTL-UHFFFAOYSA-N 2 2 284.385 -0.190 20 0 CBADLP CO[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1c[nH+]c(C)n1C ZINC000657606530 420360130 /nfs/dbraw/zinc/36/01/30/420360130.db2.gz VCXLUMMGIWBHRV-MNOVXSKESA-N 2 2 273.358 -0.370 20 0 CBADLP CO[C@@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1c[nH+]c(C)n1C ZINC000657606529 420360447 /nfs/dbraw/zinc/36/04/47/420360447.db2.gz VCXLUMMGIWBHRV-GHMZBOCLSA-N 2 2 273.358 -0.370 20 0 CBADLP Cc1nc(NC[C@H]2CCCC[N@@H+]2CCO)nc(N(C)C)[nH+]1 ZINC000450618126 420299373 /nfs/dbraw/zinc/29/93/73/420299373.db2.gz SPCMCRZWXCEUED-GFCCVEGCSA-N 2 2 294.403 0.505 20 0 CBADLP Cc1nc(NC[C@H]2CCCC[N@H+]2CCO)nc(N(C)C)[nH+]1 ZINC000450618126 420299377 /nfs/dbraw/zinc/29/93/77/420299377.db2.gz SPCMCRZWXCEUED-GFCCVEGCSA-N 2 2 294.403 0.505 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC([C@H]2CCOC2)C1 ZINC000656151711 420300704 /nfs/dbraw/zinc/30/07/04/420300704.db2.gz BZNMQFMPOLCRCN-JSGCOSHPSA-N 2 2 272.389 -0.106 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000656198204 420302058 /nfs/dbraw/zinc/30/20/58/420302058.db2.gz MSAVFULAVHCPSA-NWDGAFQWSA-N 3 2 254.378 -0.380 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000656198206 420302421 /nfs/dbraw/zinc/30/24/21/420302421.db2.gz MSAVFULAVHCPSA-VXGBXAGGSA-N 3 2 254.378 -0.380 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000516969686 420368254 /nfs/dbraw/zinc/36/82/54/420368254.db2.gz PWPDPKIMEOFFLM-HNNXBMFYSA-N 2 2 298.431 -0.051 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000516969686 420368258 /nfs/dbraw/zinc/36/82/58/420368258.db2.gz PWPDPKIMEOFFLM-HNNXBMFYSA-N 2 2 298.431 -0.051 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000517029091 420369105 /nfs/dbraw/zinc/36/91/05/420369105.db2.gz ZECYZEYRTYCFJQ-CYBMUJFWSA-N 2 2 294.399 -0.734 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000517234527 420373648 /nfs/dbraw/zinc/37/36/48/420373648.db2.gz HGMYNBDXGUPLTB-OLZOCXBDSA-N 2 2 296.415 -0.204 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000517234527 420373653 /nfs/dbraw/zinc/37/36/53/420373653.db2.gz HGMYNBDXGUPLTB-OLZOCXBDSA-N 2 2 296.415 -0.204 20 0 CBADLP CN(Cc1[nH+]ccn1C)C(=O)C(=O)N(C)CC1C[NH+](C)C1 ZINC000658438726 420378258 /nfs/dbraw/zinc/37/82/58/420378258.db2.gz IYOOCIOQNNEMOZ-UHFFFAOYSA-N 2 2 293.371 -0.602 20 0 CBADLP Cn1ccc(C[NH2+][C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)n1 ZINC000519642872 420384059 /nfs/dbraw/zinc/38/40/59/420384059.db2.gz AXKUQNPTXWDMQZ-LLVKDONJSA-N 2 2 279.344 -0.801 20 0 CBADLP Cc1noc(CCC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])n1 ZINC000519778937 420387624 /nfs/dbraw/zinc/38/76/24/420387624.db2.gz UEDQOSXKARYLPH-JTQLQIEISA-N 2 2 267.333 -0.588 20 0 CBADLP Cc1noc(CCC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])n1 ZINC000519778937 420387627 /nfs/dbraw/zinc/38/76/27/420387627.db2.gz UEDQOSXKARYLPH-JTQLQIEISA-N 2 2 267.333 -0.588 20 0 CBADLP CN(C(=O)C(=O)Nc1ccc2[nH+]ccn2c1)C1C[NH2+]C1 ZINC000659084816 420397878 /nfs/dbraw/zinc/39/78/78/420397878.db2.gz OSOSIBLYENKZGU-UHFFFAOYSA-N 2 2 273.296 -0.297 20 0 CBADLP C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000659113906 420398388 /nfs/dbraw/zinc/39/83/88/420398388.db2.gz ZAFXHTDDIDJHLQ-VIFPVBQESA-N 2 2 275.312 -0.003 20 0 CBADLP C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000659113238 420398552 /nfs/dbraw/zinc/39/85/52/420398552.db2.gz UZKAJJPAMFIZKV-MRVPVSSYSA-N 2 2 266.301 -0.247 20 0 CBADLP COc1cc[nH+]cc1NC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659109891 420399509 /nfs/dbraw/zinc/39/95/09/420399509.db2.gz QLZLZINYXROAES-RKDXNWHRSA-N 2 2 296.302 -0.074 20 0 CBADLP Cn1cccc1C[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000674238027 544898604 /nfs/dbraw/zinc/89/86/04/544898604.db2.gz RWNBPHYGFKTJOX-UHFFFAOYSA-N 2 2 250.346 -0.111 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@H](C)[NH+](C)C)CC1 ZINC000674286589 544901382 /nfs/dbraw/zinc/90/13/82/544901382.db2.gz OEEPMQPKKLEHFS-NSHDSACASA-N 2 2 270.377 -0.783 20 0 CBADLP C[N@@H+]1CC[C@H](C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000676341417 544948240 /nfs/dbraw/zinc/94/82/40/544948240.db2.gz RLCQJHCUWQOQQM-STQMWFEESA-N 2 2 267.373 -0.129 20 0 CBADLP C[N@H+]1CC[C@H](C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000676341417 544948244 /nfs/dbraw/zinc/94/82/44/544948244.db2.gz RLCQJHCUWQOQQM-STQMWFEESA-N 2 2 267.373 -0.129 20 0 CBADLP C[C@H](C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1)N1CC[NH+](C)CC1 ZINC000676347981 544948792 /nfs/dbraw/zinc/94/87/92/544948792.db2.gz KYUWSESCEHDERJ-BFHYXJOUSA-N 2 2 298.431 -0.542 20 0 CBADLP C[C@H](C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1)N1CC[NH+](C)CC1 ZINC000676347981 544948796 /nfs/dbraw/zinc/94/87/96/544948796.db2.gz KYUWSESCEHDERJ-BFHYXJOUSA-N 2 2 298.431 -0.542 20 0 CBADLP O=S1(=O)CCCN1CC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000676557291 544953810 /nfs/dbraw/zinc/95/38/10/544953810.db2.gz PYGCMQVTQLIRHB-GHMZBOCLSA-N 2 2 259.375 -0.827 20 0 CBADLP COC[C@](C)(O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000674765246 544913144 /nfs/dbraw/zinc/91/31/44/544913144.db2.gz WWUNSISNBQISEG-DOMZBBRYSA-N 2 2 299.415 -0.332 20 0 CBADLP COC[C@](C)(O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000674765246 544913146 /nfs/dbraw/zinc/91/31/46/544913146.db2.gz WWUNSISNBQISEG-DOMZBBRYSA-N 2 2 299.415 -0.332 20 0 CBADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCCN1CCCS1(=O)=O ZINC000674878079 544919172 /nfs/dbraw/zinc/91/91/72/544919172.db2.gz DOEUSRAUSMMRML-NWDGAFQWSA-N 2 2 275.418 -0.048 20 0 CBADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCN1CCCS1(=O)=O ZINC000674878079 544919174 /nfs/dbraw/zinc/91/91/74/544919174.db2.gz DOEUSRAUSMMRML-NWDGAFQWSA-N 2 2 275.418 -0.048 20 0 CBADLP C[C@@H]1CN(C)C[C@H]1[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000674882472 544919958 /nfs/dbraw/zinc/91/99/58/544919958.db2.gz NUTWGGUXDPWFQT-BZUAXINKSA-N 2 2 296.459 -0.067 20 0 CBADLP C[C@@H]1CN(C)C[C@@H]1[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000674882473 544919997 /nfs/dbraw/zinc/91/99/97/544919997.db2.gz NUTWGGUXDPWFQT-OAGGEKHMSA-N 2 2 296.459 -0.067 20 0 CBADLP CC(C)OC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1c1nccn1C ZINC000659310308 420411169 /nfs/dbraw/zinc/41/11/69/420411169.db2.gz YSWWAHNOMUXKFW-RYUDHWBXSA-N 2 2 295.387 -0.355 20 0 CBADLP C[C@@H](C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1)[NH+](C)C ZINC000675519078 544933033 /nfs/dbraw/zinc/93/30/33/544933033.db2.gz RQJMKOGMKQTHJX-LBPRGKRZSA-N 2 2 284.404 -0.441 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N(C)CCC[NH3+] ZINC000659435724 420419456 /nfs/dbraw/zinc/41/94/56/420419456.db2.gz LUOVPWOAOQYELI-LLVKDONJSA-N 2 2 258.366 -0.303 20 0 CBADLP O=C(NC[C@H]1C[NH+]2CCN1CC2)[C@H]1CCn2c[nH+]cc2C1 ZINC000676844951 544963788 /nfs/dbraw/zinc/96/37/88/544963788.db2.gz UQGCPSDKXYKQGH-JSGCOSHPSA-N 2 2 289.383 -0.439 20 0 CBADLP O=C(C[N@H+]1CC[C@H](O)C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000178939858 230183022 /nfs/dbraw/zinc/18/30/22/230183022.db2.gz OUJQTPNFXRGCJQ-ZDUSSCGKSA-N 2 2 293.367 -0.010 20 0 CBADLP O=C(C[N@@H+]1CC[C@H](O)C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000178939858 230183025 /nfs/dbraw/zinc/18/30/25/230183025.db2.gz OUJQTPNFXRGCJQ-ZDUSSCGKSA-N 2 2 293.367 -0.010 20 0 CBADLP O=C(C[N@H+]1CC[C@@H](O)C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000178939874 230183245 /nfs/dbraw/zinc/18/32/45/230183245.db2.gz OUJQTPNFXRGCJQ-CYBMUJFWSA-N 2 2 293.367 -0.010 20 0 CBADLP O=C(C[N@@H+]1CC[C@@H](O)C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000178939874 230183248 /nfs/dbraw/zinc/18/32/48/230183248.db2.gz OUJQTPNFXRGCJQ-CYBMUJFWSA-N 2 2 293.367 -0.010 20 0 CBADLP COC[C@]1(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CCC[NH2+]1 ZINC000659357566 420414176 /nfs/dbraw/zinc/41/41/76/420414176.db2.gz JYYHDPFPBATZOP-ZFWWWQNUSA-N 2 2 297.399 -0.312 20 0 CBADLP O=C(C[NH2+]C1CC1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659357408 420414370 /nfs/dbraw/zinc/41/43/70/420414370.db2.gz GMXXYJCZUZBVDL-LBPRGKRZSA-N 2 2 253.346 -0.329 20 0 CBADLP C[C@@]1(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CC[NH2+]C1 ZINC000659357494 420415155 /nfs/dbraw/zinc/41/51/55/420415155.db2.gz JAETYEAICGYOAD-TZMCWYRMSA-N 2 2 267.373 -0.081 20 0 CBADLP C[N@H+]1CCN(C(=O)NCC2([NH3+])CCCC2)[C@H](C[NH3+])C1 ZINC000659575544 420434326 /nfs/dbraw/zinc/43/43/26/420434326.db2.gz PLQIOLYLFLTCKS-LLVKDONJSA-N 3 2 269.393 -0.458 20 0 CBADLP C[NH2+]CCCNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659505706 420424867 /nfs/dbraw/zinc/42/48/67/420424867.db2.gz QBKNTXQKNSEJKR-GFCCVEGCSA-N 2 2 270.377 -0.288 20 0 CBADLP CS(=O)(=O)CC1(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000678073031 545013164 /nfs/dbraw/zinc/01/31/64/545013164.db2.gz JBPTXRXMTFYPLD-GHMZBOCLSA-N 2 2 258.387 -0.038 20 0 CBADLP C[NH2+]CCNC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000659514020 420426122 /nfs/dbraw/zinc/42/61/22/420426122.db2.gz AVSQBHNNWPMZAE-UHFFFAOYSA-N 2 2 284.404 -0.040 20 0 CBADLP C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)CN1CC[NH+](C)CC1 ZINC000678427993 545016225 /nfs/dbraw/zinc/01/62/25/545016225.db2.gz GDOPEALIFZMAOO-CHWSQXEVSA-N 2 2 268.405 -0.215 20 0 CBADLP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)CN1CC[NH+](C)CC1 ZINC000678427993 545016228 /nfs/dbraw/zinc/01/62/28/545016228.db2.gz GDOPEALIFZMAOO-CHWSQXEVSA-N 2 2 268.405 -0.215 20 0 CBADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCc1nnnn1C ZINC000678547044 545019331 /nfs/dbraw/zinc/01/93/31/545019331.db2.gz OTBROFPWNGRXGF-KOLCDFICSA-N 2 2 250.350 -0.175 20 0 CBADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCc1nnnn1C ZINC000678547044 545019332 /nfs/dbraw/zinc/01/93/32/545019332.db2.gz OTBROFPWNGRXGF-KOLCDFICSA-N 2 2 250.350 -0.175 20 0 CBADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCc1nnnn1C ZINC000678547048 545019349 /nfs/dbraw/zinc/01/93/49/545019349.db2.gz OTBROFPWNGRXGF-ONGXEEELSA-N 2 2 250.350 -0.175 20 0 CBADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCc1nnnn1C ZINC000678547048 545019351 /nfs/dbraw/zinc/01/93/51/545019351.db2.gz OTBROFPWNGRXGF-ONGXEEELSA-N 2 2 250.350 -0.175 20 0 CBADLP C[NH+]1CCN(C(=O)CN2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000678630811 545020454 /nfs/dbraw/zinc/02/04/54/545020454.db2.gz VVCJKQCJNCXTCO-CQSZACIVSA-N 2 2 296.415 -0.833 20 0 CBADLP [NH3+]C[C@@H](NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1)C1CC1 ZINC000659518933 420427617 /nfs/dbraw/zinc/42/76/17/420427617.db2.gz LBPMGGNLKMLZQK-QWHCGFSZSA-N 2 2 282.388 -0.160 20 0 CBADLP CC(C)([NH3+])CNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659522053 420428921 /nfs/dbraw/zinc/42/89/21/420428921.db2.gz ZPXIIUMNBHBNTQ-NSHDSACASA-N 2 2 270.377 -0.160 20 0 CBADLP O=C(NC[C@H]1C[NH2+]CCO1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659555571 420433088 /nfs/dbraw/zinc/43/30/88/420433088.db2.gz ROPQLPIVYKWKMR-QWHCGFSZSA-N 2 2 298.387 -0.909 20 0 CBADLP C[C@H](NC(=O)NC[C@H]1C[NH2+]CCO1)c1[nH+]ccn1C ZINC000659555662 420433389 /nfs/dbraw/zinc/43/33/89/420433389.db2.gz SIEPAYQIIJQHOA-VHSXEESVSA-N 2 2 267.333 -0.231 20 0 CBADLP CN(C)C(=O)C[NH+]1CCN(c2cc[nH+]cc2C(N)=O)CC1 ZINC000680827443 545041149 /nfs/dbraw/zinc/04/11/49/545041149.db2.gz WSCCAQJRCDLCBV-UHFFFAOYSA-N 2 2 291.355 -0.609 20 0 CBADLP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000659750372 420467283 /nfs/dbraw/zinc/46/72/83/420467283.db2.gz BXAMKNUBBDSGDE-SNVBAGLBSA-N 2 2 293.371 -0.160 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)NCc2c[nH+]c(C)nc2N)C1 ZINC000579358442 420468925 /nfs/dbraw/zinc/46/89/25/420468925.db2.gz NSDIVBIFBHHIIB-NSHDSACASA-N 2 2 279.344 -0.296 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)NCc2c[nH+]c(C)nc2N)C1 ZINC000579358442 420468928 /nfs/dbraw/zinc/46/89/28/420468928.db2.gz NSDIVBIFBHHIIB-NSHDSACASA-N 2 2 279.344 -0.296 20 0 CBADLP CNC(=O)CC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681273941 545046375 /nfs/dbraw/zinc/04/63/75/545046375.db2.gz NOXSFLMQWHIMGQ-CYBMUJFWSA-N 2 2 296.415 -0.251 20 0 CBADLP CNC(=O)CC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681273941 545046376 /nfs/dbraw/zinc/04/63/76/545046376.db2.gz NOXSFLMQWHIMGQ-CYBMUJFWSA-N 2 2 296.415 -0.251 20 0 CBADLP CN(C)c1c[nH+]ccc1NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000681361234 545047783 /nfs/dbraw/zinc/04/77/83/545047783.db2.gz ARYWLGAYUOMFOE-AWEZNQCLSA-N 2 2 289.383 -0.102 20 0 CBADLP CN(C)c1c[nH+]ccc1NC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000681361234 545047784 /nfs/dbraw/zinc/04/77/84/545047784.db2.gz ARYWLGAYUOMFOE-AWEZNQCLSA-N 2 2 289.383 -0.102 20 0 CBADLP CC(=O)NC1CCC([NH2+]CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000681738081 545051046 /nfs/dbraw/zinc/05/10/46/545051046.db2.gz JJRCTLKONOGKJT-UHFFFAOYSA-N 2 2 296.415 -0.203 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000682010193 545053388 /nfs/dbraw/zinc/05/33/88/545053388.db2.gz FVEPRNWHGUKOHE-UHFFFAOYSA-N 2 2 280.372 -0.122 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000682010193 545053389 /nfs/dbraw/zinc/05/33/89/545053389.db2.gz FVEPRNWHGUKOHE-UHFFFAOYSA-N 2 2 280.372 -0.122 20 0 CBADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000682501196 545056712 /nfs/dbraw/zinc/05/67/12/545056712.db2.gz NOEBIXQHCSDWSD-QWHCGFSZSA-N 2 2 291.399 -0.193 20 0 CBADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000682501196 545056713 /nfs/dbraw/zinc/05/67/13/545056713.db2.gz NOEBIXQHCSDWSD-QWHCGFSZSA-N 2 2 291.399 -0.193 20 0 CBADLP CC1(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C[NH2+]C1 ZINC000567985832 420448789 /nfs/dbraw/zinc/44/87/89/420448789.db2.gz YRYGGHZUVGBAOR-UHFFFAOYSA-N 2 2 293.371 -0.237 20 0 CBADLP C[NH2+]C[C@H](C)NC(=O)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000659693912 420451152 /nfs/dbraw/zinc/45/11/52/420451152.db2.gz DFRYJYYIHCMOSM-JTQLQIEISA-N 2 2 293.371 -0.512 20 0 CBADLP [NH3+]CCCCC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000568627135 420451361 /nfs/dbraw/zinc/45/13/61/420451361.db2.gz RTUOXVRJVXHPOP-UHFFFAOYSA-N 2 2 295.387 0.283 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000659704419 420452905 /nfs/dbraw/zinc/45/29/05/420452905.db2.gz OVBDBKRXMFKDPG-CDWSIMAYSA-N 2 2 291.355 -0.663 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659705305 420453104 /nfs/dbraw/zinc/45/31/04/420453104.db2.gz XPOIQCSMJGPHDH-IFQILLTASA-N 2 2 291.355 -0.744 20 0 CBADLP Nc1ncc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)s1 ZINC000573578610 420459189 /nfs/dbraw/zinc/45/91/89/420459189.db2.gz SHHOKTXRAUULRI-IONNQARKSA-N 2 2 267.358 -0.531 20 0 CBADLP Nc1ncc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)s1 ZINC000573578610 420459190 /nfs/dbraw/zinc/45/91/90/420459190.db2.gz SHHOKTXRAUULRI-IONNQARKSA-N 2 2 267.358 -0.531 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)NCC[C@@H]([NH3+])C(C)C)CC1 ZINC000659747003 420465908 /nfs/dbraw/zinc/46/59/08/420465908.db2.gz QYVNPGDVEGHANB-GFCCVEGCSA-N 2 2 284.404 -0.360 20 0 CBADLP COC[C@@H](C[NH+]1CCN(C(=O)C[NH+](C)C)CC1)OC ZINC000659839521 420473166 /nfs/dbraw/zinc/47/31/66/420473166.db2.gz YDGLKECTAYJRNN-GFCCVEGCSA-N 2 2 273.377 -0.646 20 0 CBADLP O=C1C[C@@H](C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)CN1 ZINC000659954947 420479554 /nfs/dbraw/zinc/47/95/54/420479554.db2.gz FHUFQUXTDFSOMS-CHWSQXEVSA-N 2 2 267.373 -0.223 20 0 CBADLP O=C1C[C@@H](C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)CN1 ZINC000659954947 420479556 /nfs/dbraw/zinc/47/95/56/420479556.db2.gz FHUFQUXTDFSOMS-CHWSQXEVSA-N 2 2 267.373 -0.223 20 0 CBADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCN2CCOC[C@@H]2C1 ZINC000660274437 420487905 /nfs/dbraw/zinc/48/79/05/420487905.db2.gz RUNNVJHEEJVBJC-UONOGXRCSA-N 2 2 271.405 -0.296 20 0 CBADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCN2CCOC[C@@H]2C1 ZINC000660274437 420487907 /nfs/dbraw/zinc/48/79/07/420487907.db2.gz RUNNVJHEEJVBJC-UONOGXRCSA-N 2 2 271.405 -0.296 20 0 CBADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000660274437 420487908 /nfs/dbraw/zinc/48/79/08/420487908.db2.gz RUNNVJHEEJVBJC-UONOGXRCSA-N 2 2 271.405 -0.296 20 0 CBADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000660274437 420487909 /nfs/dbraw/zinc/48/79/09/420487909.db2.gz RUNNVJHEEJVBJC-UONOGXRCSA-N 2 2 271.405 -0.296 20 0 CBADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCN2CCOC[C@H]2C1 ZINC000660274436 420488022 /nfs/dbraw/zinc/48/80/22/420488022.db2.gz RUNNVJHEEJVBJC-KGLIPLIRSA-N 2 2 271.405 -0.296 20 0 CBADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCN2CCOC[C@H]2C1 ZINC000660274436 420488023 /nfs/dbraw/zinc/48/80/23/420488023.db2.gz RUNNVJHEEJVBJC-KGLIPLIRSA-N 2 2 271.405 -0.296 20 0 CBADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000660274436 420488024 /nfs/dbraw/zinc/48/80/24/420488024.db2.gz RUNNVJHEEJVBJC-KGLIPLIRSA-N 2 2 271.405 -0.296 20 0 CBADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCN2CCOC[C@H]2C1 ZINC000660274436 420488026 /nfs/dbraw/zinc/48/80/26/420488026.db2.gz RUNNVJHEEJVBJC-KGLIPLIRSA-N 2 2 271.405 -0.296 20 0 CBADLP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@H](CO)c1cnn(C)c1 ZINC000660271660 420488284 /nfs/dbraw/zinc/48/82/84/420488284.db2.gz ZWBMTZJDPGDESN-QWHCGFSZSA-N 2 2 270.377 -0.256 20 0 CBADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@H](CO)c1cnn(C)c1 ZINC000660271660 420488285 /nfs/dbraw/zinc/48/82/85/420488285.db2.gz ZWBMTZJDPGDESN-QWHCGFSZSA-N 2 2 270.377 -0.256 20 0 CBADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000660441669 420491040 /nfs/dbraw/zinc/49/10/40/420491040.db2.gz XUFMTRTUBPLGBE-RISCZKNCSA-N 2 2 298.387 -0.639 20 0 CBADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000660441669 420491041 /nfs/dbraw/zinc/49/10/41/420491041.db2.gz XUFMTRTUBPLGBE-RISCZKNCSA-N 2 2 298.387 -0.639 20 0 CBADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000660441669 420491042 /nfs/dbraw/zinc/49/10/42/420491042.db2.gz XUFMTRTUBPLGBE-RISCZKNCSA-N 2 2 298.387 -0.639 20 0 CBADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000660441669 420491043 /nfs/dbraw/zinc/49/10/43/420491043.db2.gz XUFMTRTUBPLGBE-RISCZKNCSA-N 2 2 298.387 -0.639 20 0 CBADLP CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)[C@@H]1CCNC1=O ZINC000660475335 420491221 /nfs/dbraw/zinc/49/12/21/420491221.db2.gz BCDYKVANVOBSLU-VXGBXAGGSA-N 2 2 257.378 -0.102 20 0 CBADLP CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)[C@@H]1CCNC1=O ZINC000660475335 420491222 /nfs/dbraw/zinc/49/12/22/420491222.db2.gz BCDYKVANVOBSLU-VXGBXAGGSA-N 2 2 257.378 -0.102 20 0 CBADLP CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)[C@@H]1CCNC1=O ZINC000660475335 420491224 /nfs/dbraw/zinc/49/12/24/420491224.db2.gz BCDYKVANVOBSLU-VXGBXAGGSA-N 2 2 257.378 -0.102 20 0 CBADLP CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)[C@@H]1CCNC1=O ZINC000660475335 420491225 /nfs/dbraw/zinc/49/12/25/420491225.db2.gz BCDYKVANVOBSLU-VXGBXAGGSA-N 2 2 257.378 -0.102 20 0 CBADLP CC[NH+]1CCN([C@H]2CCN(c3nc(C)[nH+]c(N)n3)C2)CC1 ZINC000601113845 420492921 /nfs/dbraw/zinc/49/29/21/420492921.db2.gz RDFFOUWGGNHHAS-LBPRGKRZSA-N 2 2 291.403 -0.022 20 0 CBADLP O=C(NCc1ccccc1-n1cc[nH+]c1)C(=O)NC1C[NH2+]C1 ZINC000517901701 260316078 /nfs/dbraw/zinc/31/60/78/260316078.db2.gz DBFACJXGHXHJBX-UHFFFAOYSA-N 2 2 299.334 -0.424 20 0 CBADLP C[C@@H](C(=O)N1CC[N@H+](CCO)[C@@H](C)C1)[NH+]1CC(C)C1 ZINC000521066769 260362591 /nfs/dbraw/zinc/36/25/91/260362591.db2.gz OWWFONWGFMWVHE-STQMWFEESA-N 2 2 269.389 -0.148 20 0 CBADLP C[C@@H](C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1)[NH+]1CC(C)C1 ZINC000521066769 260362593 /nfs/dbraw/zinc/36/25/93/260362593.db2.gz OWWFONWGFMWVHE-STQMWFEESA-N 2 2 269.389 -0.148 20 0 CBADLP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)CN3CC[NH2+]CC3=O)C[C@@H]21 ZINC000518531828 260449176 /nfs/dbraw/zinc/44/91/76/260449176.db2.gz CBEBVXATCDFCCY-SDDRHHMPSA-N 2 2 280.372 -0.996 20 0 CBADLP CCOC(=O)N1CCN(C(=O)C[NH+]2CCC([NH3+])CC2)CC1 ZINC000092714315 260519635 /nfs/dbraw/zinc/51/96/35/260519635.db2.gz NRODIECAWGTOCL-UHFFFAOYSA-N 2 2 298.387 -0.290 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+]C(C)(C)C(C)(C)O)CC1 ZINC000227347070 262388770 /nfs/dbraw/zinc/38/87/70/262388770.db2.gz BUMOWKWXSYASEQ-UHFFFAOYSA-N 2 2 257.378 -0.101 20 0 CBADLP C[NH+]1CCC(CCNC(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000237106049 269579711 /nfs/dbraw/zinc/57/97/11/269579711.db2.gz VJPAQQWRMPUURH-UHFFFAOYSA-N 2 2 282.388 -0.734 20 0 CBADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)NC(N)=O)C1 ZINC000245437559 276073124 /nfs/dbraw/zinc/07/31/24/276073124.db2.gz DVVXQRDNVLUTTR-ZJUUUORDSA-N 2 2 256.350 -0.157 20 0 CBADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)NC(N)=O)C1 ZINC000245437559 276073126 /nfs/dbraw/zinc/07/31/26/276073126.db2.gz DVVXQRDNVLUTTR-ZJUUUORDSA-N 2 2 256.350 -0.157 20 0 CBADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC000245437559 276073128 /nfs/dbraw/zinc/07/31/28/276073128.db2.gz DVVXQRDNVLUTTR-ZJUUUORDSA-N 2 2 256.350 -0.157 20 0 CBADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC000245437559 276073130 /nfs/dbraw/zinc/07/31/30/276073130.db2.gz DVVXQRDNVLUTTR-ZJUUUORDSA-N 2 2 256.350 -0.157 20 0 CBADLP CNC(=O)[C@@H]1CCC[C@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000408065332 277008857 /nfs/dbraw/zinc/00/88/57/277008857.db2.gz YMEZZNVQQMXTEO-VXGBXAGGSA-N 2 2 282.388 -0.735 20 0 CBADLP COC(=O)N1CC([NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000497246461 277070766 /nfs/dbraw/zinc/07/07/66/277070766.db2.gz PZQDPCXQUQFOBZ-NWDGAFQWSA-N 2 2 269.345 -0.206 20 0 CBADLP CC(=O)[C@@](C)(O)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000408456036 277097653 /nfs/dbraw/zinc/09/76/53/277097653.db2.gz FYFWJKXVFWZJSM-ZFWWWQNUSA-N 2 2 297.399 -0.435 20 0 CBADLP CC(=O)[C@@](C)(O)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000408456036 277097654 /nfs/dbraw/zinc/09/76/54/277097654.db2.gz FYFWJKXVFWZJSM-ZFWWWQNUSA-N 2 2 297.399 -0.435 20 0 CBADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000261885003 277125985 /nfs/dbraw/zinc/12/59/85/277125985.db2.gz ZPIQVQJSJDXHFP-NWDGAFQWSA-N 2 2 296.415 -0.088 20 0 CBADLP C[N@@H+]1CC[C@@H]2OCCN(C(=O)[C@@H]3CC(F)(F)C[NH2+]3)[C@H]2C1 ZINC000423935062 277150891 /nfs/dbraw/zinc/15/08/91/277150891.db2.gz YDFJFIGVRNKDAP-DCAQKATOSA-N 2 2 289.326 -0.085 20 0 CBADLP C[N@H+]1CC[C@@H]2OCCN(C(=O)[C@@H]3CC(F)(F)C[NH2+]3)[C@H]2C1 ZINC000423935062 277150893 /nfs/dbraw/zinc/15/08/93/277150893.db2.gz YDFJFIGVRNKDAP-DCAQKATOSA-N 2 2 289.326 -0.085 20 0 CBADLP COCC[N@@H+](CCO)Cc1c[nH+]c(N(C)C)n1C ZINC000425331092 277216648 /nfs/dbraw/zinc/21/66/48/277216648.db2.gz WUIKCAFFLCNFRG-UHFFFAOYSA-N 2 2 256.350 -0.073 20 0 CBADLP COCC[N@H+](CCO)Cc1c[nH+]c(N(C)C)n1C ZINC000425331092 277216645 /nfs/dbraw/zinc/21/66/45/277216645.db2.gz WUIKCAFFLCNFRG-UHFFFAOYSA-N 2 2 256.350 -0.073 20 0 CBADLP COCC[NH+]1CCC(N2CC[N@H+](C)CC2=O)CC1 ZINC000378599677 277219171 /nfs/dbraw/zinc/21/91/71/277219171.db2.gz OJZCYTFAWSAMDS-UHFFFAOYSA-N 2 2 255.362 -0.129 20 0 CBADLP COCC[NH+]1CCC(N2CC[N@@H+](C)CC2=O)CC1 ZINC000378599677 277219172 /nfs/dbraw/zinc/21/91/72/277219172.db2.gz OJZCYTFAWSAMDS-UHFFFAOYSA-N 2 2 255.362 -0.129 20 0 CBADLP C[NH2+]C[C@H]1CC[N@@H+]([C@@H](C)C(=O)NC(=O)NC2CC2)C1 ZINC000430924345 277286196 /nfs/dbraw/zinc/28/61/96/277286196.db2.gz AMQIFWNDTMXIAC-VHSXEESVSA-N 2 2 268.361 -0.096 20 0 CBADLP C[NH2+]C[C@H]1CC[N@H+]([C@@H](C)C(=O)NC(=O)NC2CC2)C1 ZINC000430924345 277286197 /nfs/dbraw/zinc/28/61/97/277286197.db2.gz AMQIFWNDTMXIAC-VHSXEESVSA-N 2 2 268.361 -0.096 20 0 CBADLP C[C@@H](C(=O)NC[C@H]1C[NH+]2CCN1CC2)[NH+]1CCSCC1 ZINC000179185798 277552856 /nfs/dbraw/zinc/55/28/56/277552856.db2.gz AAFVMXAEPCVOPN-STQMWFEESA-N 2 2 298.456 -0.460 20 0 CBADLP C[C@H](CC(N)=O)[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000341889470 278165113 /nfs/dbraw/zinc/16/51/13/278165113.db2.gz OJRXFWIGEJFBJK-NEPJUHHUSA-N 2 2 284.404 -0.217 20 0 CBADLP C[C@H](CC(N)=O)[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000341889470 278165116 /nfs/dbraw/zinc/16/51/16/278165116.db2.gz OJRXFWIGEJFBJK-NEPJUHHUSA-N 2 2 284.404 -0.217 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000362660679 288087381 /nfs/dbraw/zinc/08/73/81/288087381.db2.gz AROJMWDVWSDUEZ-WOPDTQHZSA-N 2 2 255.362 -0.369 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000362660679 288087383 /nfs/dbraw/zinc/08/73/83/288087383.db2.gz AROJMWDVWSDUEZ-WOPDTQHZSA-N 2 2 255.362 -0.369 20 0 CBADLP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000362660679 288087384 /nfs/dbraw/zinc/08/73/84/288087384.db2.gz AROJMWDVWSDUEZ-WOPDTQHZSA-N 2 2 255.362 -0.369 20 0 CBADLP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000362660679 288087386 /nfs/dbraw/zinc/08/73/86/288087386.db2.gz AROJMWDVWSDUEZ-WOPDTQHZSA-N 2 2 255.362 -0.369 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@H]1CCCN1S(C)(=O)=O ZINC000338215435 288091293 /nfs/dbraw/zinc/09/12/93/288091293.db2.gz ONSPKQQUHHRREM-UTUOFQBUSA-N 2 2 275.418 -0.050 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@H]1CCCN1S(C)(=O)=O ZINC000338215435 288091295 /nfs/dbraw/zinc/09/12/95/288091295.db2.gz ONSPKQQUHHRREM-UTUOFQBUSA-N 2 2 275.418 -0.050 20 0 CBADLP CC[N@H+](CC(=O)NC[C@@H]1C[NH+]2CCN1CC2)C1CC1 ZINC000179185818 279055138 /nfs/dbraw/zinc/05/51/38/279055138.db2.gz QIHMPBRPBDMKIC-CYBMUJFWSA-N 2 2 266.389 -0.413 20 0 CBADLP CC[N@@H+](CC(=O)NC[C@@H]1C[NH+]2CCN1CC2)C1CC1 ZINC000179185818 279055140 /nfs/dbraw/zinc/05/51/40/279055140.db2.gz QIHMPBRPBDMKIC-CYBMUJFWSA-N 2 2 266.389 -0.413 20 0 CBADLP CC[N@@H+]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000361450597 279288295 /nfs/dbraw/zinc/28/82/95/279288295.db2.gz BRHKOZTVVMFQEY-LBPRGKRZSA-N 2 2 255.362 -0.129 20 0 CBADLP CC[N@H+]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000361450597 279288296 /nfs/dbraw/zinc/28/82/96/279288296.db2.gz BRHKOZTVVMFQEY-LBPRGKRZSA-N 2 2 255.362 -0.129 20 0 CBADLP CC[NH+]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000361450597 279288297 /nfs/dbraw/zinc/28/82/97/279288297.db2.gz BRHKOZTVVMFQEY-LBPRGKRZSA-N 2 2 255.362 -0.129 20 0 CBADLP CC[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000361450597 279288298 /nfs/dbraw/zinc/28/82/98/279288298.db2.gz BRHKOZTVVMFQEY-LBPRGKRZSA-N 2 2 255.362 -0.129 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000366478355 279383897 /nfs/dbraw/zinc/38/38/97/279383897.db2.gz JBNONTUCUWJMEV-ZIAGYGMSSA-N 2 2 297.399 -0.360 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000366478355 279383900 /nfs/dbraw/zinc/38/39/00/279383900.db2.gz JBNONTUCUWJMEV-ZIAGYGMSSA-N 2 2 297.399 -0.360 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000366478354 279384017 /nfs/dbraw/zinc/38/40/17/279384017.db2.gz JBNONTUCUWJMEV-UONOGXRCSA-N 2 2 297.399 -0.360 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000366478354 279384018 /nfs/dbraw/zinc/38/40/18/279384018.db2.gz JBNONTUCUWJMEV-UONOGXRCSA-N 2 2 297.399 -0.360 20 0 CBADLP C[C@@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)C[C@@]2(CCOC2)O1 ZINC000366575707 288138828 /nfs/dbraw/zinc/13/88/28/288138828.db2.gz QYNDJPRPFRJGCS-UKRRQHHQSA-N 2 2 297.399 -0.360 20 0 CBADLP C[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)C[C@@]2(CCOC2)O1 ZINC000366575707 288138829 /nfs/dbraw/zinc/13/88/29/288138829.db2.gz QYNDJPRPFRJGCS-UKRRQHHQSA-N 2 2 297.399 -0.360 20 0 CBADLP O=C([C@H]1COCC[NH2+]1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000250888049 280144483 /nfs/dbraw/zinc/14/44/83/280144483.db2.gz WWSSIUXZLSXKLN-NWDGAFQWSA-N 2 2 253.346 -0.329 20 0 CBADLP O=C([C@H]1COCC[NH2+]1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000250888049 280144488 /nfs/dbraw/zinc/14/44/88/280144488.db2.gz WWSSIUXZLSXKLN-NWDGAFQWSA-N 2 2 253.346 -0.329 20 0 CBADLP CC[C@@H]([NH3+])CNC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000418214137 280165566 /nfs/dbraw/zinc/16/55/66/280165566.db2.gz MXFLAFALVMBPKL-PWSUYJOCSA-N 2 2 270.377 -0.114 20 0 CBADLP CC[C@@H]([NH3+])CNC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000418214137 280165569 /nfs/dbraw/zinc/16/55/69/280165569.db2.gz MXFLAFALVMBPKL-PWSUYJOCSA-N 2 2 270.377 -0.114 20 0 CBADLP CC(C)[C@H](CNC(=O)[C@@H](C)[NH3+])[NH+]1CCN(C)CC1 ZINC000040770534 280249218 /nfs/dbraw/zinc/24/92/18/280249218.db2.gz GKNDJSKGRRQDLR-NEPJUHHUSA-N 2 2 256.394 -0.278 20 0 CBADLP CC(C)[C@H](CNC(=O)[C@@H]1C[NH2+]CCO1)[NH+]1CCOCC1 ZINC000164312598 280250366 /nfs/dbraw/zinc/25/03/66/280250366.db2.gz VDKHUJYQAMPVMU-STQMWFEESA-N 2 2 285.388 -0.552 20 0 CBADLP CC[C@@](C)([NH2+]CC(=O)N1CC[NH+](C)CC1)C(N)=O ZINC000180600976 280626745 /nfs/dbraw/zinc/62/67/45/280626745.db2.gz GTFHRKMZRNULRZ-GFCCVEGCSA-N 2 2 256.350 -0.996 20 0 CBADLP CC[C@H]1CN(C(=O)C[NH2+]C)C[C@@H]1[NH+]1CCOCC1 ZINC000366941587 281132572 /nfs/dbraw/zinc/13/25/72/281132572.db2.gz SMPZOCSDUCXOEA-RYUDHWBXSA-N 2 2 255.362 -0.225 20 0 CBADLP CC1(C)C[N@H+](CCNC(=O)NCC(F)(F)C[NH3+])CCO1 ZINC000417430718 281238349 /nfs/dbraw/zinc/23/83/49/281238349.db2.gz YHBKBYFVWSQFRG-UHFFFAOYSA-N 2 2 294.346 -0.010 20 0 CBADLP CC1(C)C[N@@H+](CCNC(=O)NCC(F)(F)C[NH3+])CCO1 ZINC000417430718 281238352 /nfs/dbraw/zinc/23/83/52/281238352.db2.gz YHBKBYFVWSQFRG-UHFFFAOYSA-N 2 2 294.346 -0.010 20 0 CBADLP CN(C)C(=O)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000408099837 288957003 /nfs/dbraw/zinc/95/70/03/288957003.db2.gz QEDKKADGOPNYSU-UHFFFAOYSA-N 2 2 285.388 -0.766 20 0 CBADLP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC000373071432 289016753 /nfs/dbraw/zinc/01/67/53/289016753.db2.gz SGKMWRZSSQYVSL-DTWKUNHWSA-N 2 2 263.345 -0.122 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)/C=C\C[NH+](C)C ZINC000491873911 289039034 /nfs/dbraw/zinc/03/90/34/289039034.db2.gz VLXUOWFLZBCBKB-PLNGDYQASA-N 2 2 255.362 -0.105 20 0 CBADLP C[NH+](C)C/C=C\C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000492141395 289040204 /nfs/dbraw/zinc/04/02/04/289040204.db2.gz YZQAYDWIZRRTOZ-JYYSYOFASA-N 2 2 253.346 -0.354 20 0 CBADLP C[NH+](C)C/C=C\C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000492141395 289040206 /nfs/dbraw/zinc/04/02/06/289040206.db2.gz YZQAYDWIZRRTOZ-JYYSYOFASA-N 2 2 253.346 -0.354 20 0 CBADLP C[NH+](C)CCN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC000356876911 289124277 /nfs/dbraw/zinc/12/42/77/289124277.db2.gz PONHJNFXJANASN-GFCCVEGCSA-N 2 2 255.362 -0.130 20 0 CBADLP C[NH+](C)CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC000356876911 289124279 /nfs/dbraw/zinc/12/42/79/289124279.db2.gz PONHJNFXJANASN-GFCCVEGCSA-N 2 2 255.362 -0.130 20 0 CBADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CC(=O)NC(N)=O ZINC000441185309 289331698 /nfs/dbraw/zinc/33/16/98/289331698.db2.gz ZNBIDQMJCSUOKX-OUAUKWLOSA-N 2 2 284.360 -0.635 20 0 CBADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CC(=O)NC(N)=O ZINC000441185309 289331700 /nfs/dbraw/zinc/33/17/00/289331700.db2.gz ZNBIDQMJCSUOKX-OUAUKWLOSA-N 2 2 284.360 -0.635 20 0 CBADLP C[C@H](C(=O)NC(C)(C)C)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000515312888 289337464 /nfs/dbraw/zinc/33/74/64/289337464.db2.gz TULWTUQIFDXYAO-GMTAPVOTSA-N 2 2 282.388 -0.467 20 0 CBADLP C[C@H](C(=O)NC(C)(C)C)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000515312888 289337465 /nfs/dbraw/zinc/33/74/65/289337465.db2.gz TULWTUQIFDXYAO-GMTAPVOTSA-N 2 2 282.388 -0.467 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C[NH+]3CCCC[C@@H]23)C1 ZINC000365540956 289341606 /nfs/dbraw/zinc/34/16/06/289341606.db2.gz UELBHEMOAGCUHA-RHYQMDGZSA-N 2 2 280.372 -0.014 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C[NH+]3CCCC[C@@H]23)C1 ZINC000365540956 289341608 /nfs/dbraw/zinc/34/16/08/289341608.db2.gz UELBHEMOAGCUHA-RHYQMDGZSA-N 2 2 280.372 -0.014 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[NH+]1C[C@H]2[C@H](C1)C[N@@H+]1CCCC[C@@H]21 ZINC000365540956 289341609 /nfs/dbraw/zinc/34/16/09/289341609.db2.gz UELBHEMOAGCUHA-RHYQMDGZSA-N 2 2 280.372 -0.014 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[NH+]1C[C@H]2[C@H](C1)C[N@H+]1CCCC[C@@H]21 ZINC000365540956 289341611 /nfs/dbraw/zinc/34/16/11/289341611.db2.gz UELBHEMOAGCUHA-RHYQMDGZSA-N 2 2 280.372 -0.014 20 0 CBADLP C[C@H](CNC(=O)COC1C[NH2+]C1)Cn1cc[nH+]c1 ZINC000430692842 289639792 /nfs/dbraw/zinc/63/97/92/289639792.db2.gz WKKQMTWNVHEQRD-SNVBAGLBSA-N 2 2 252.318 -0.376 20 0 CBADLP CN(C[C@H](O)C[NH+]1CCOCC1)c1cc[nH+]cc1C(N)=O ZINC000302170284 289730088 /nfs/dbraw/zinc/73/00/88/289730088.db2.gz UAJCDHUBKGTKKX-NSHDSACASA-N 2 2 294.355 -0.690 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@@H]2C[NH3+])CC1 ZINC000420286126 290010711 /nfs/dbraw/zinc/01/07/11/290010711.db2.gz FPVZACVQQBJVEA-GFCCVEGCSA-N 3 2 254.378 -0.426 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@@H]2C[NH3+])CC1 ZINC000420286126 290010718 /nfs/dbraw/zinc/01/07/18/290010718.db2.gz FPVZACVQQBJVEA-GFCCVEGCSA-N 3 2 254.378 -0.426 20 0 CBADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000495058654 290037274 /nfs/dbraw/zinc/03/72/74/290037274.db2.gz KFMOORDNIHPDJK-NEPJUHHUSA-N 2 2 268.405 -0.121 20 0 CBADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000495058654 290037276 /nfs/dbraw/zinc/03/72/76/290037276.db2.gz KFMOORDNIHPDJK-NEPJUHHUSA-N 2 2 268.405 -0.121 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000173357286 290100294 /nfs/dbraw/zinc/10/02/94/290100294.db2.gz HEAULWLSLODDTC-KGLIPLIRSA-N 2 2 297.399 -0.360 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000173357286 290100296 /nfs/dbraw/zinc/10/02/96/290100296.db2.gz HEAULWLSLODDTC-KGLIPLIRSA-N 2 2 297.399 -0.360 20 0 CBADLP CNC(=O)CC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000363704088 290362874 /nfs/dbraw/zinc/36/28/74/290362874.db2.gz HDFCZYFEKSCWCN-GFCCVEGCSA-N 2 2 296.415 -0.251 20 0 CBADLP CNC(=O)CC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000363704088 290362876 /nfs/dbraw/zinc/36/28/76/290362876.db2.gz HDFCZYFEKSCWCN-GFCCVEGCSA-N 2 2 296.415 -0.251 20 0 CBADLP COC[C@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000189477142 293233268 /nfs/dbraw/zinc/23/32/68/293233268.db2.gz SRTUOOJQNNYQKV-QWHCGFSZSA-N 2 2 285.388 -0.504 20 0 CBADLP COC[C@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000189477142 293233270 /nfs/dbraw/zinc/23/32/70/293233270.db2.gz SRTUOOJQNNYQKV-QWHCGFSZSA-N 2 2 285.388 -0.504 20 0 CBADLP Cn1cc(N2CC[C@H]([NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)C2=O)cn1 ZINC000359306571 294254732 /nfs/dbraw/zinc/25/47/32/294254732.db2.gz MPFPEFYXCCURHJ-WZRBSPASSA-N 2 2 275.356 -0.323 20 0 CBADLP NC(=O)[C@H]1CCC[NH+]1CCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000172655259 295151553 /nfs/dbraw/zinc/15/15/53/295151553.db2.gz KBBPUGLKCZBDEH-GHMZBOCLSA-N 2 2 268.361 -0.724 20 0 CBADLP NC(=O)[C@H]1CCC[NH+]1CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000172655259 295151554 /nfs/dbraw/zinc/15/15/54/295151554.db2.gz KBBPUGLKCZBDEH-GHMZBOCLSA-N 2 2 268.361 -0.724 20 0 CBADLP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000063179248 295234140 /nfs/dbraw/zinc/23/41/40/295234140.db2.gz TWULWEJNLNLZMS-GFCCVEGCSA-N 2 2 293.371 -0.413 20 0 CBADLP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000063179246 295234534 /nfs/dbraw/zinc/23/45/34/295234534.db2.gz TWULWEJNLNLZMS-LBPRGKRZSA-N 2 2 293.371 -0.413 20 0 CBADLP [NH3+][C@@H]1CCc2nc(NC(=O)[C@H]3COCC[NH2+]3)sc2C1 ZINC000343436956 295323641 /nfs/dbraw/zinc/32/36/41/295323641.db2.gz MCYPAKSTTLVCQG-VXNVDRBHSA-N 2 2 282.369 -0.114 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000331519035 298134247 /nfs/dbraw/zinc/13/42/47/298134247.db2.gz CJYUXEWUVZPTCL-MFKMUULPSA-N 2 2 268.361 -0.013 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000331519035 298134249 /nfs/dbraw/zinc/13/42/49/298134249.db2.gz CJYUXEWUVZPTCL-MFKMUULPSA-N 2 2 268.361 -0.013 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000331519035 298134253 /nfs/dbraw/zinc/13/42/53/298134253.db2.gz CJYUXEWUVZPTCL-MFKMUULPSA-N 2 2 268.361 -0.013 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000331519035 298134254 /nfs/dbraw/zinc/13/42/54/298134254.db2.gz CJYUXEWUVZPTCL-MFKMUULPSA-N 2 2 268.361 -0.013 20 0 CBADLP C[C@H](NC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C)C(=O)N(C)C ZINC000422640405 299057525 /nfs/dbraw/zinc/05/75/25/299057525.db2.gz VKWABWKBKXOVCM-RNJOBUHISA-N 2 2 298.431 -0.116 20 0 CBADLP C[C@H](NC(=O)C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C)C(=O)N(C)C ZINC000422640405 299057528 /nfs/dbraw/zinc/05/75/28/299057528.db2.gz VKWABWKBKXOVCM-RNJOBUHISA-N 2 2 298.431 -0.116 20 0 CBADLP C[C@H](NC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C)C(=O)N(C)C ZINC000422640404 299057573 /nfs/dbraw/zinc/05/75/73/299057573.db2.gz VKWABWKBKXOVCM-NDBYEHHHSA-N 2 2 298.431 -0.116 20 0 CBADLP C[C@H](NC(=O)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C)C(=O)N(C)C ZINC000422640404 299057575 /nfs/dbraw/zinc/05/75/75/299057575.db2.gz VKWABWKBKXOVCM-NDBYEHHHSA-N 2 2 298.431 -0.116 20 0 CBADLP Cn1cc[nH+]c1[C@H]1CN(C(=O)[C@H]2C[NH2+]CCO2)CCN1C ZINC000424171544 303007387 /nfs/dbraw/zinc/00/73/87/303007387.db2.gz MCRRUQLRKOUJQY-VXGBXAGGSA-N 2 2 293.371 -0.776 20 0 CBADLP CC[N@H+](CCO)CC[NH2+]C[C@@H](O)Cn1cccn1 ZINC000575312320 335092457 /nfs/dbraw/zinc/09/24/57/335092457.db2.gz LYOREZSVVZVQHN-GFCCVEGCSA-N 2 2 256.350 -0.852 20 0 CBADLP CC[N@@H+](CCO)CC[NH2+]C[C@@H](O)Cn1cccn1 ZINC000575312320 335092458 /nfs/dbraw/zinc/09/24/58/335092458.db2.gz LYOREZSVVZVQHN-GFCCVEGCSA-N 2 2 256.350 -0.852 20 0 CBADLP [NH3+][C@@H]1CCN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000580214334 327735797 /nfs/dbraw/zinc/73/57/97/327735797.db2.gz RYTDYPKZZBJKAO-SECBINFHSA-N 2 2 273.296 -0.168 20 0 CBADLP O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000582064154 327826770 /nfs/dbraw/zinc/82/67/70/327826770.db2.gz WTQWCIWEIXQITK-GUBZILKMSA-N 2 2 275.299 -0.427 20 0 CBADLP O=C(NCCCNc1cccc[nH+]1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000570986217 327969718 /nfs/dbraw/zinc/96/97/18/327969718.db2.gz QTUMRGHSFCHYTO-NSHDSACASA-N 2 2 291.355 -0.522 20 0 CBADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+][C@H]2C[C@@H](O)C2)C[C@H](C)O1 ZINC000581726678 328011613 /nfs/dbraw/zinc/01/16/13/328011613.db2.gz XZMQYIZISFYMJQ-RXGFPQBGSA-N 2 2 258.362 -0.431 20 0 CBADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+][C@H]2C[C@@H](O)C2)C[C@H](C)O1 ZINC000581726678 328011615 /nfs/dbraw/zinc/01/16/15/328011615.db2.gz XZMQYIZISFYMJQ-RXGFPQBGSA-N 2 2 258.362 -0.431 20 0 CBADLP Cc1[nH+]ccn1CCC[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000563444003 328067137 /nfs/dbraw/zinc/06/71/37/328067137.db2.gz ZYLIKEGNSQOBAZ-QWHCGFSZSA-N 3 2 277.372 -0.175 20 0 CBADLP Cc1[nH+]ccn1CCC[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000563444003 328067139 /nfs/dbraw/zinc/06/71/39/328067139.db2.gz ZYLIKEGNSQOBAZ-QWHCGFSZSA-N 3 2 277.372 -0.175 20 0 CBADLP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000563624138 328078195 /nfs/dbraw/zinc/07/81/95/328078195.db2.gz LJQKLDPBQLENTC-VXGBXAGGSA-N 2 2 295.387 -0.026 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000563619960 328077392 /nfs/dbraw/zinc/07/73/92/328077392.db2.gz DSUQIIHWWKIGPI-STQMWFEESA-N 2 2 296.415 -0.489 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000563619960 328077394 /nfs/dbraw/zinc/07/73/94/328077394.db2.gz DSUQIIHWWKIGPI-STQMWFEESA-N 2 2 296.415 -0.489 20 0 CBADLP COC(=O)C[C@@H]1C(=O)NCC[N@H+]1CCCc1c[nH+]cn1C ZINC000571104833 328085843 /nfs/dbraw/zinc/08/58/43/328085843.db2.gz UWNAGANGUIBBNU-GFCCVEGCSA-N 2 2 294.355 -0.284 20 0 CBADLP COC(=O)C[C@@H]1C(=O)NCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000571104833 328085845 /nfs/dbraw/zinc/08/58/45/328085845.db2.gz UWNAGANGUIBBNU-GFCCVEGCSA-N 2 2 294.355 -0.284 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000571162922 328089431 /nfs/dbraw/zinc/08/94/31/328089431.db2.gz OILWPMGRKFGHDS-NEPJUHHUSA-N 2 2 284.404 -0.362 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000571162922 328089432 /nfs/dbraw/zinc/08/94/32/328089432.db2.gz OILWPMGRKFGHDS-NEPJUHHUSA-N 2 2 284.404 -0.362 20 0 CBADLP COCC[N@H+](C)CCNC(=O)Cc1c[nH+]cn1C ZINC000571234822 328094154 /nfs/dbraw/zinc/09/41/54/328094154.db2.gz BTXCLIYNQQREGY-UHFFFAOYSA-N 2 2 254.334 -0.343 20 0 CBADLP COCC[N@@H+](C)CCNC(=O)Cc1c[nH+]cn1C ZINC000571234822 328094156 /nfs/dbraw/zinc/09/41/56/328094156.db2.gz BTXCLIYNQQREGY-UHFFFAOYSA-N 2 2 254.334 -0.343 20 0 CBADLP C[C@H](C(=O)NC1CCCC1)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000571299015 328100518 /nfs/dbraw/zinc/10/05/18/328100518.db2.gz JVPDUZCHKZVXMV-RTXFEEFZSA-N 2 2 294.399 -0.323 20 0 CBADLP C[C@H](C(=O)NC1CCCC1)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000571299015 328100520 /nfs/dbraw/zinc/10/05/20/328100520.db2.gz JVPDUZCHKZVXMV-RTXFEEFZSA-N 2 2 294.399 -0.323 20 0 CBADLP C[C@H](CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])[NH+](C)C1CC1 ZINC000584340474 328127772 /nfs/dbraw/zinc/12/77/72/328127772.db2.gz GEGHIJVUTWKNLL-DGCLKSJQSA-N 3 2 283.420 -0.247 20 0 CBADLP C[C@H](CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])[NH+](C)C1CC1 ZINC000584340474 328127774 /nfs/dbraw/zinc/12/77/74/328127774.db2.gz GEGHIJVUTWKNLL-DGCLKSJQSA-N 3 2 283.420 -0.247 20 0 CBADLP C[C@H](CNC(=O)N1CC[NH+](C)C[C@H]1C[NH3+])[N@H+](C)C1CC1 ZINC000584340474 328127775 /nfs/dbraw/zinc/12/77/75/328127775.db2.gz GEGHIJVUTWKNLL-DGCLKSJQSA-N 3 2 283.420 -0.247 20 0 CBADLP C[C@H](CNC(=O)N1CC[NH+](C)C[C@H]1C[NH3+])[N@@H+](C)C1CC1 ZINC000584340474 328127776 /nfs/dbraw/zinc/12/77/76/328127776.db2.gz GEGHIJVUTWKNLL-DGCLKSJQSA-N 3 2 283.420 -0.247 20 0 CBADLP C[C@@H](C(=O)N(C)CC[NH+]1CCOCC1)C1C[NH2+]C1 ZINC000571519210 328131419 /nfs/dbraw/zinc/13/14/19/328131419.db2.gz QUKMWGKCKQFAAV-LLVKDONJSA-N 2 2 255.362 -0.368 20 0 CBADLP C[C@H](C(=O)N(C)CC[NH+]1CCOCC1)C1C[NH2+]C1 ZINC000571519215 328131566 /nfs/dbraw/zinc/13/15/66/328131566.db2.gz QUKMWGKCKQFAAV-NSHDSACASA-N 2 2 255.362 -0.368 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)[C@]23C[C@H]2CC[NH2+]3)CCO1 ZINC000571526016 328131767 /nfs/dbraw/zinc/13/17/67/328131767.db2.gz KIRADWBLZAHUHO-LOWVWBTDSA-N 2 2 253.346 -0.425 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)[C@]23C[C@H]2CC[NH2+]3)CCO1 ZINC000571526016 328131769 /nfs/dbraw/zinc/13/17/69/328131769.db2.gz KIRADWBLZAHUHO-LOWVWBTDSA-N 2 2 253.346 -0.425 20 0 CBADLP CN(CCC[NH3+])C(=O)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000563735039 328498018 /nfs/dbraw/zinc/49/80/18/328498018.db2.gz VNNLXKBVUOXHFS-UHFFFAOYSA-N 2 2 289.339 -0.242 20 0 CBADLP CN1CC[NH2+]C[C@@H]1CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000576038838 327010624 /nfs/dbraw/zinc/01/06/24/327010624.db2.gz SDFGAQYZXADWJE-BDAKNGLRSA-N 2 2 262.304 -0.997 20 0 CBADLP COC(=O)CC[N@@H+]1CCN(C(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC000557585430 327014183 /nfs/dbraw/zinc/01/41/83/327014183.db2.gz NPCMUOCKHOZCJS-GFCCVEGCSA-N 2 2 294.355 -0.021 20 0 CBADLP COC(=O)CC[N@H+]1CCN(C(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC000557585430 327014184 /nfs/dbraw/zinc/01/41/84/327014184.db2.gz NPCMUOCKHOZCJS-GFCCVEGCSA-N 2 2 294.355 -0.021 20 0 CBADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+][C@@H]2CC[C@H](C(N)=O)C2)C[C@H](C)O1 ZINC000565829006 327028594 /nfs/dbraw/zinc/02/85/94/327028594.db2.gz PWWBAAMALNWWEA-VJTDZRGJSA-N 2 2 299.415 -0.300 20 0 CBADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+][C@@H]2CC[C@H](C(N)=O)C2)C[C@H](C)O1 ZINC000565829006 327028595 /nfs/dbraw/zinc/02/85/95/327028595.db2.gz PWWBAAMALNWWEA-VJTDZRGJSA-N 2 2 299.415 -0.300 20 0 CBADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)C[NH+]1CCOCC1 ZINC000569167490 327039193 /nfs/dbraw/zinc/03/91/93/327039193.db2.gz BEQRPSSBUUZANM-GFCCVEGCSA-N 2 2 266.345 -0.032 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)C[C@@H]2C[NH2+]CCO2)CCO1 ZINC000584175297 327058543 /nfs/dbraw/zinc/05/85/43/327058543.db2.gz RQUYIYDHKQQWQD-NWDGAFQWSA-N 2 2 271.361 -0.798 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)C[C@@H]2C[NH2+]CCO2)CCO1 ZINC000584175297 327058544 /nfs/dbraw/zinc/05/85/44/327058544.db2.gz RQUYIYDHKQQWQD-NWDGAFQWSA-N 2 2 271.361 -0.798 20 0 CBADLP COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)CC[NH3+])C1 ZINC000569338379 327079727 /nfs/dbraw/zinc/07/97/27/327079727.db2.gz RPDSMUXOMKFVPM-SNVBAGLBSA-N 2 2 257.334 -0.664 20 0 CBADLP COC(=O)C[N@H+]1CCC[C@H](CNC(=O)CC[NH3+])C1 ZINC000569338379 327079728 /nfs/dbraw/zinc/07/97/28/327079728.db2.gz RPDSMUXOMKFVPM-SNVBAGLBSA-N 2 2 257.334 -0.664 20 0 CBADLP CN(CCCN1CC[NH+](C)CC1)C(=O)Cn1cc[nH+]c1 ZINC000558644731 327111911 /nfs/dbraw/zinc/11/19/11/327111911.db2.gz CPXSSWKIRDFBLG-UHFFFAOYSA-N 2 2 279.388 -0.021 20 0 CBADLP CN(CCC[NH+]1CCN(C)CC1)C(=O)Cn1cc[nH+]c1 ZINC000558644731 327111912 /nfs/dbraw/zinc/11/19/12/327111912.db2.gz CPXSSWKIRDFBLG-UHFFFAOYSA-N 2 2 279.388 -0.021 20 0 CBADLP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)Cn1cc[nH+]c1 ZINC000564642194 327131028 /nfs/dbraw/zinc/13/10/28/327131028.db2.gz HUEIWZBZJWEZEH-NSHDSACASA-N 2 2 279.344 -0.661 20 0 CBADLP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)Cn1cc[nH+]c1 ZINC000564642194 327131029 /nfs/dbraw/zinc/13/10/29/327131029.db2.gz HUEIWZBZJWEZEH-NSHDSACASA-N 2 2 279.344 -0.661 20 0 CBADLP CS(=O)(=O)NCC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000559286091 327154915 /nfs/dbraw/zinc/15/49/15/327154915.db2.gz XLXRQSTVJOOICU-UHFFFAOYSA-N 2 2 273.362 -0.919 20 0 CBADLP C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000569461158 327180858 /nfs/dbraw/zinc/18/08/58/327180858.db2.gz TXDYQNKXYDUOQT-SMDDNHRTSA-N 2 2 278.356 -0.372 20 0 CBADLP C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000569461158 327180859 /nfs/dbraw/zinc/18/08/59/327180859.db2.gz TXDYQNKXYDUOQT-SMDDNHRTSA-N 2 2 278.356 -0.372 20 0 CBADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@H]2CCC(=O)N(C)C2)C[C@@H](C)O1 ZINC000569475924 327183184 /nfs/dbraw/zinc/18/31/84/327183184.db2.gz OVKVZIJOKBTGMF-YIYPIFLZSA-N 2 2 299.415 -0.333 20 0 CBADLP COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C)[C@@H](C)[NH3+])C1 ZINC000569482182 327184342 /nfs/dbraw/zinc/18/43/42/327184342.db2.gz AQTHEPTUPLNVFB-QJPTWQEYSA-N 2 2 285.388 -0.029 20 0 CBADLP COC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@@H](C)[C@@H](C)[NH3+])C1 ZINC000569482182 327184344 /nfs/dbraw/zinc/18/43/44/327184344.db2.gz AQTHEPTUPLNVFB-QJPTWQEYSA-N 2 2 285.388 -0.029 20 0 CBADLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000569490022 327185006 /nfs/dbraw/zinc/18/50/06/327185006.db2.gz XJZBPLOUFFKGHP-PHIMTYICSA-N 2 2 255.362 -0.049 20 0 CBADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000569490022 327185007 /nfs/dbraw/zinc/18/50/07/327185007.db2.gz XJZBPLOUFFKGHP-PHIMTYICSA-N 2 2 255.362 -0.049 20 0 CBADLP CC(=O)N[C@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H](C[NH3+])C2)C1 ZINC000569487330 327185436 /nfs/dbraw/zinc/18/54/36/327185436.db2.gz VWQJFKCWTJDHOA-KBPBESRZSA-N 2 2 296.415 -0.216 20 0 CBADLP CC(=O)N[C@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H](C[NH3+])C2)C1 ZINC000569487330 327185437 /nfs/dbraw/zinc/18/54/37/327185437.db2.gz VWQJFKCWTJDHOA-KBPBESRZSA-N 2 2 296.415 -0.216 20 0 CBADLP CC(=O)N[C@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H](C[NH3+])C2)C1 ZINC000569487331 327185611 /nfs/dbraw/zinc/18/56/11/327185611.db2.gz VWQJFKCWTJDHOA-KGLIPLIRSA-N 2 2 296.415 -0.216 20 0 CBADLP CC(=O)N[C@H]1CCCN(C(=O)C[N@H+]2CCC[C@H](C[NH3+])C2)C1 ZINC000569487331 327185613 /nfs/dbraw/zinc/18/56/13/327185613.db2.gz VWQJFKCWTJDHOA-KGLIPLIRSA-N 2 2 296.415 -0.216 20 0 CBADLP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000569607631 327209559 /nfs/dbraw/zinc/20/95/59/327209559.db2.gz SQGUYOVXRAVGGG-GRYCIOLGSA-N 2 2 255.362 -0.179 20 0 CBADLP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000569607631 327209561 /nfs/dbraw/zinc/20/95/61/327209561.db2.gz SQGUYOVXRAVGGG-GRYCIOLGSA-N 2 2 255.362 -0.179 20 0 CBADLP CCN(CC)C(=O)[C@H](C)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000574292607 327311425 /nfs/dbraw/zinc/31/14/25/327311425.db2.gz OZDCKNFPXXOURW-SDDRHHMPSA-N 2 2 282.388 -0.513 20 0 CBADLP CCN(CC)C(=O)[C@H](C)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000574292607 327311426 /nfs/dbraw/zinc/31/14/26/327311426.db2.gz OZDCKNFPXXOURW-SDDRHHMPSA-N 2 2 282.388 -0.513 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@](C)(C(=O)OC)C1 ZINC000560466115 327311693 /nfs/dbraw/zinc/31/16/93/327311693.db2.gz QIFWDQZXZUVCGD-GXTWGEPZSA-N 2 2 288.388 -0.190 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@](C)(C(=O)OC)C1 ZINC000560466115 327311694 /nfs/dbraw/zinc/31/16/94/327311694.db2.gz QIFWDQZXZUVCGD-GXTWGEPZSA-N 2 2 288.388 -0.190 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@](C)(C(=O)OC)C1 ZINC000560466115 327311695 /nfs/dbraw/zinc/31/16/95/327311695.db2.gz QIFWDQZXZUVCGD-GXTWGEPZSA-N 2 2 288.388 -0.190 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@](C)(C(=O)OC)C1 ZINC000560466115 327311696 /nfs/dbraw/zinc/31/16/96/327311696.db2.gz QIFWDQZXZUVCGD-GXTWGEPZSA-N 2 2 288.388 -0.190 20 0 CBADLP CC(C)[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H]1CCC(=O)N1 ZINC000560756845 327341417 /nfs/dbraw/zinc/34/14/17/327341417.db2.gz JADSKLHMMGHENT-CYBMUJFWSA-N 2 2 296.415 -0.251 20 0 CBADLP CC(C)[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H]1CCC(=O)N1 ZINC000560756845 327341419 /nfs/dbraw/zinc/34/14/19/327341419.db2.gz JADSKLHMMGHENT-CYBMUJFWSA-N 2 2 296.415 -0.251 20 0 CBADLP COc1cccnc1C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000583435812 327362424 /nfs/dbraw/zinc/36/24/24/327362424.db2.gz FRBHVWZDRDTOJI-ZDUSSCGKSA-N 2 2 294.399 -0.212 20 0 CBADLP C[C@H](C(=O)NC[C@H]1C[N@H+](C)CCN1C)[NH+]1CC(C)C1 ZINC000561223564 327377296 /nfs/dbraw/zinc/37/72/96/327377296.db2.gz AEEPCFQSIMXQSJ-OLZOCXBDSA-N 2 2 268.405 -0.311 20 0 CBADLP C[C@H](C(=O)NC[C@H]1C[N@@H+](C)CCN1C)[NH+]1CC(C)C1 ZINC000561223564 327377298 /nfs/dbraw/zinc/37/72/98/327377298.db2.gz AEEPCFQSIMXQSJ-OLZOCXBDSA-N 2 2 268.405 -0.311 20 0 CBADLP CCO[C@H]1C[C@@H](NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])C1 ZINC000572619420 327393518 /nfs/dbraw/zinc/39/35/18/327393518.db2.gz LUMCDORCGGHMPQ-UTUOFQBUSA-N 2 2 270.377 -0.162 20 0 CBADLP CCCCCNC(=O)[C@H](C)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000566494593 327398881 /nfs/dbraw/zinc/39/88/81/327398881.db2.gz APPNRZPJZHJVKN-YNEHKIRRSA-N 2 2 296.415 -0.075 20 0 CBADLP CN1CC[NH2+]C[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC000394082319 329098703 /nfs/dbraw/zinc/09/87/03/329098703.db2.gz LPUQJZRILOAVKN-LLVKDONJSA-N 2 2 251.334 -0.707 20 0 CBADLP CCOC[C@H](O)C[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000582905059 329284222 /nfs/dbraw/zinc/28/42/22/329284222.db2.gz AMPJJPQLLZKEFS-CHWSQXEVSA-N 2 2 260.378 -0.180 20 0 CBADLP CCOC[C@H](O)C[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000582905059 329284224 /nfs/dbraw/zinc/28/42/24/329284224.db2.gz AMPJJPQLLZKEFS-CHWSQXEVSA-N 2 2 260.378 -0.180 20 0 CBADLP Cc1nccc(CCC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])n1 ZINC000583203551 329362958 /nfs/dbraw/zinc/36/29/58/329362958.db2.gz DNOSQKXRVPMAGQ-CYBMUJFWSA-N 2 2 277.372 -0.181 20 0 CBADLP Cc1nccc(CCC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])n1 ZINC000583203551 329362959 /nfs/dbraw/zinc/36/29/59/329362959.db2.gz DNOSQKXRVPMAGQ-CYBMUJFWSA-N 2 2 277.372 -0.181 20 0 CBADLP C[N@H+](CCC(=O)N1CC[NH2+]CC1)[C@H](C[NH3+])C1CC1 ZINC000583204464 329363782 /nfs/dbraw/zinc/36/37/82/329363782.db2.gz WFDYIYCUOYPZPU-GFCCVEGCSA-N 3 2 254.378 -0.523 20 0 CBADLP C[N@@H+](CCC(=O)N1CC[NH2+]CC1)[C@H](C[NH3+])C1CC1 ZINC000583204464 329363783 /nfs/dbraw/zinc/36/37/83/329363783.db2.gz WFDYIYCUOYPZPU-GFCCVEGCSA-N 3 2 254.378 -0.523 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000572360814 330004048 /nfs/dbraw/zinc/00/40/48/330004048.db2.gz LMXOWKPFAJQTBG-STQMWFEESA-N 2 2 294.399 -0.734 20 0 CBADLP Cc1nn(C)c(C)c1OCC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000162573731 330077629 /nfs/dbraw/zinc/07/76/29/330077629.db2.gz ISIUHFIFEOIMOX-LBPRGKRZSA-N 2 2 295.387 -0.483 20 0 CBADLP Cc1nn(C)c(C)c1OCC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000162573731 330077631 /nfs/dbraw/zinc/07/76/31/330077631.db2.gz ISIUHFIFEOIMOX-LBPRGKRZSA-N 2 2 295.387 -0.483 20 0 CBADLP COCCOCCC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000162618960 330087116 /nfs/dbraw/zinc/08/71/16/330087116.db2.gz GGRSZDMIHFYOIL-NSHDSACASA-N 2 2 259.350 -0.859 20 0 CBADLP COCCOCCC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000162618960 330087117 /nfs/dbraw/zinc/08/71/17/330087117.db2.gz GGRSZDMIHFYOIL-NSHDSACASA-N 2 2 259.350 -0.859 20 0 CBADLP CCn1cc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cn1 ZINC000575430962 335103593 /nfs/dbraw/zinc/10/35/93/335103593.db2.gz QABJKZDRFIDMPT-NWDGAFQWSA-N 2 2 263.345 -0.353 20 0 CBADLP CCn1cc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cn1 ZINC000575430962 335103595 /nfs/dbraw/zinc/10/35/95/335103595.db2.gz QABJKZDRFIDMPT-NWDGAFQWSA-N 2 2 263.345 -0.353 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1CCCC[N@H+]1CCO ZINC000575755475 335112386 /nfs/dbraw/zinc/11/23/86/335112386.db2.gz QABFGVZPPOBRQR-LBPRGKRZSA-N 2 2 266.345 -0.154 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000575755475 335112387 /nfs/dbraw/zinc/11/23/87/335112387.db2.gz QABFGVZPPOBRQR-LBPRGKRZSA-N 2 2 266.345 -0.154 20 0 CBADLP CN1CC[NH2+]C[C@H]1CNC(=O)[C@@H]([NH3+])c1c(F)cccc1F ZINC000572521737 333115231 /nfs/dbraw/zinc/11/52/31/333115231.db2.gz QZDSATPNFUHNKZ-ZANVPECISA-N 2 2 298.337 -0.016 20 0 CBADLP CN1CC[NH+](CCCCNC(=O)[C@@H]2CSC[NH2+]2)CC1 ZINC000572527641 333185558 /nfs/dbraw/zinc/18/55/58/333185558.db2.gz GQYPVKLXGXERKX-LBPRGKRZSA-N 2 2 286.445 -0.207 20 0 CBADLP C[NH+]1CCN(CCCCNC(=O)[C@@H]2CSC[NH2+]2)CC1 ZINC000572527641 333185559 /nfs/dbraw/zinc/18/55/59/333185559.db2.gz GQYPVKLXGXERKX-LBPRGKRZSA-N 2 2 286.445 -0.207 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CCC[C@H]1O ZINC000576237668 335175617 /nfs/dbraw/zinc/17/56/17/335175617.db2.gz GFSBTLLDKWUOMM-YNEHKIRRSA-N 2 2 260.378 -0.229 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CCC[C@H]1O ZINC000576237668 335175618 /nfs/dbraw/zinc/17/56/18/335175618.db2.gz GFSBTLLDKWUOMM-YNEHKIRRSA-N 2 2 260.378 -0.229 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)[C@@H]1CCC[C@H]1O ZINC000576237668 335175619 /nfs/dbraw/zinc/17/56/19/335175619.db2.gz GFSBTLLDKWUOMM-YNEHKIRRSA-N 2 2 260.378 -0.229 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H]1CCC[C@H]1O ZINC000576237668 335175620 /nfs/dbraw/zinc/17/56/20/335175620.db2.gz GFSBTLLDKWUOMM-YNEHKIRRSA-N 2 2 260.378 -0.229 20 0 CBADLP CC[NH+](CC)C[C@H](C)NC[C@@H](O)C[NH+]1CCN(C)CC1 ZINC000576220068 335172491 /nfs/dbraw/zinc/17/24/91/335172491.db2.gz BRYZDSNVPWBRIL-LSDHHAIUSA-N 2 2 286.464 -0.085 20 0 CBADLP CC[NH+](CC)C[C@H](C)NC[C@@H](O)CN1CC[NH+](C)CC1 ZINC000576220068 335172492 /nfs/dbraw/zinc/17/24/92/335172492.db2.gz BRYZDSNVPWBRIL-LSDHHAIUSA-N 2 2 286.464 -0.085 20 0 CBADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CCc2ncn(C)n2)C[C@@H](C)O1 ZINC000564722023 334517927 /nfs/dbraw/zinc/51/79/27/334517927.db2.gz IBMYRXVPNLMGFH-JHJVBQTASA-N 2 2 297.403 -0.583 20 0 CBADLP CC[C@@H](CO)[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000564979456 334531900 /nfs/dbraw/zinc/53/19/00/334531900.db2.gz SQDHOTWAENHOBD-NDBYEHHHSA-N 2 2 260.378 -0.183 20 0 CBADLP [NH3+][C@H]1C[C@@H](C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)C1 ZINC000565041547 334535675 /nfs/dbraw/zinc/53/56/75/334535675.db2.gz VBMANTPDFLZAMN-PHIMTYICSA-N 2 2 263.345 -0.209 20 0 CBADLP O=C(NC[C@@H]1C[NH+]2CCN1CC2)[C@@H]1CCc2c[nH+]cn2C1 ZINC000565661687 334585881 /nfs/dbraw/zinc/58/58/81/334585881.db2.gz SZVKSQJZYXCAHS-TZMCWYRMSA-N 2 2 289.383 -0.439 20 0 CBADLP COC(=O)CNC(=O)CC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000565784127 334596851 /nfs/dbraw/zinc/59/68/51/334596851.db2.gz UOSUMRSWUMOTQF-UHFFFAOYSA-N 2 2 295.343 -0.789 20 0 CBADLP C[NH2+]C[C@](C)(O)CN1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000566351751 334644053 /nfs/dbraw/zinc/64/40/53/334644053.db2.gz ABMDDOUURMIYON-ZDUSSCGKSA-N 2 2 267.377 -0.502 20 0 CBADLP Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)CC(F)(F)C[NH3+] ZINC000573216069 334918674 /nfs/dbraw/zinc/91/86/74/334918674.db2.gz UGVFXZXGNJQQPR-SECBINFHSA-N 2 2 287.314 -0.123 20 0 CBADLP CC(=O)NCC[NH+](C)CC[C@@H](C)[N@@H+](C)CCNC(C)=O ZINC000576343588 335191913 /nfs/dbraw/zinc/19/19/13/335191913.db2.gz WPEFLHATMQCEQU-GFCCVEGCSA-N 2 2 286.420 -0.099 20 0 CBADLP CC(=O)NCC[NH+](C)[C@H](C)CC[N@H+](C)CCNC(C)=O ZINC000576343588 335191910 /nfs/dbraw/zinc/19/19/10/335191910.db2.gz WPEFLHATMQCEQU-GFCCVEGCSA-N 2 2 286.420 -0.099 20 0 CBADLP CC(=O)NCC[NH+](C)[C@H](C)CC[N@@H+](C)CCNC(C)=O ZINC000576343588 335191911 /nfs/dbraw/zinc/19/19/11/335191911.db2.gz WPEFLHATMQCEQU-GFCCVEGCSA-N 2 2 286.420 -0.099 20 0 CBADLP CC(=O)NCC[NH+](C)CC[C@@H](C)[N@H+](C)CCNC(C)=O ZINC000576343588 335191912 /nfs/dbraw/zinc/19/19/12/335191912.db2.gz WPEFLHATMQCEQU-GFCCVEGCSA-N 2 2 286.420 -0.099 20 0 CBADLP CC(=O)NCC[NH+](C)[C@@H](C)CC[N@H+](C)CCNC(C)=O ZINC000576343592 335191971 /nfs/dbraw/zinc/19/19/71/335191971.db2.gz WPEFLHATMQCEQU-LBPRGKRZSA-N 2 2 286.420 -0.099 20 0 CBADLP CC(=O)NCC[NH+](C)[C@@H](C)CC[N@@H+](C)CCNC(C)=O ZINC000576343592 335191973 /nfs/dbraw/zinc/19/19/73/335191973.db2.gz WPEFLHATMQCEQU-LBPRGKRZSA-N 2 2 286.420 -0.099 20 0 CBADLP CC(=O)NCC[NH+](C)CC[C@H](C)[N@H+](C)CCNC(C)=O ZINC000576343592 335191974 /nfs/dbraw/zinc/19/19/74/335191974.db2.gz WPEFLHATMQCEQU-LBPRGKRZSA-N 2 2 286.420 -0.099 20 0 CBADLP CC(=O)NCC[NH+](C)CC[C@H](C)[N@@H+](C)CCNC(C)=O ZINC000576343592 335191975 /nfs/dbraw/zinc/19/19/75/335191975.db2.gz WPEFLHATMQCEQU-LBPRGKRZSA-N 2 2 286.420 -0.099 20 0 CBADLP C[C@@H](CC(=O)NC[C@@H]1C[NH+]2CCN1CC2)n1cc[nH+]c1 ZINC000576947449 335268031 /nfs/dbraw/zinc/26/80/31/335268031.db2.gz RCOCLHYECZWSCG-QWHCGFSZSA-N 2 2 277.372 -0.050 20 0 CBADLP C[C@@H](CC(=O)NC[C@H]1C[NH+]2CCN1CC2)n1cc[nH+]c1 ZINC000576947450 335268095 /nfs/dbraw/zinc/26/80/95/335268095.db2.gz RCOCLHYECZWSCG-STQMWFEESA-N 2 2 277.372 -0.050 20 0 CBADLP C[N@@H+]1CCN(C(=O)CNC(=O)CC(C)(C)C)[C@H](C[NH3+])C1 ZINC000580549212 335276506 /nfs/dbraw/zinc/27/65/06/335276506.db2.gz BHLOLLFWXSVFGQ-LLVKDONJSA-N 2 2 284.404 -0.360 20 0 CBADLP C[N@H+]1CCN(C(=O)CNC(=O)CC(C)(C)C)[C@H](C[NH3+])C1 ZINC000580549212 335276507 /nfs/dbraw/zinc/27/65/07/335276507.db2.gz BHLOLLFWXSVFGQ-LLVKDONJSA-N 2 2 284.404 -0.360 20 0 CBADLP COC[C@@]1(C(=O)NCc2[nH]c[nH+]c2C)CC[NH2+]C1 ZINC000379978628 335285599 /nfs/dbraw/zinc/28/55/99/335285599.db2.gz VBHMROKJAWSFFU-GFCCVEGCSA-N 2 2 252.318 -0.040 20 0 CBADLP C[N@H+](C[C@@H](O)C[NH2+]CC1([S@@](C)=O)CC1)C1CC1 ZINC000380248369 335298807 /nfs/dbraw/zinc/29/88/07/335298807.db2.gz JPDPHBHBRAXGRM-APPDUMDISA-N 2 2 260.403 -0.058 20 0 CBADLP C[N@@H+](C[C@@H](O)C[NH2+]CC1([S@@](C)=O)CC1)C1CC1 ZINC000380248369 335298808 /nfs/dbraw/zinc/29/88/08/335298808.db2.gz JPDPHBHBRAXGRM-APPDUMDISA-N 2 2 260.403 -0.058 20 0 CBADLP C[NH+](C)[C@H]1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C[C@@H]1O ZINC000577190798 335319787 /nfs/dbraw/zinc/31/97/87/335319787.db2.gz SNFYMDUWBQDVGG-USWWRNFRSA-N 2 2 278.356 -0.037 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000577278746 335334282 /nfs/dbraw/zinc/33/42/82/335334282.db2.gz JDIKTGYGJASISI-GFCCVEGCSA-N 2 2 284.404 -0.299 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000577278746 335334284 /nfs/dbraw/zinc/33/42/84/335334284.db2.gz JDIKTGYGJASISI-GFCCVEGCSA-N 2 2 284.404 -0.299 20 0 CBADLP C[N@@H+]1CCN(C(=O)C[C@H]2CSCC[NH2+]2)[C@H](C[NH3+])C1 ZINC000577371420 335342131 /nfs/dbraw/zinc/34/21/31/335342131.db2.gz BAJSVWQMNDXRLF-WDEREUQCSA-N 3 2 272.418 -0.817 20 0 CBADLP C[N@H+]1CCN(C(=O)C[C@H]2CSCC[NH2+]2)[C@H](C[NH3+])C1 ZINC000577371420 335342132 /nfs/dbraw/zinc/34/21/32/335342132.db2.gz BAJSVWQMNDXRLF-WDEREUQCSA-N 3 2 272.418 -0.817 20 0 CBADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+][C@@H]2C=C[C@H](CO)C2)C[C@@H](C)O1 ZINC000577396766 335348073 /nfs/dbraw/zinc/34/80/73/335348073.db2.gz ZQPRXKOXJWYZSW-QMIVOQANSA-N 2 2 284.400 -0.017 20 0 CBADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@@H]2C=C[C@H](CO)C2)C[C@@H](C)O1 ZINC000577396767 335348291 /nfs/dbraw/zinc/34/82/91/335348291.db2.gz ZQPRXKOXJWYZSW-UXXRCYHCSA-N 2 2 284.400 -0.017 20 0 CBADLP C[N@@H+]1CCN(C(=O)NCC2([NH3+])CCC2)[C@@H](C[NH3+])C1 ZINC000577726521 335392750 /nfs/dbraw/zinc/39/27/50/335392750.db2.gz NTYLCHALMVNEOJ-JTQLQIEISA-N 3 2 255.366 -0.848 20 0 CBADLP C[N@H+]1CCN(C(=O)NCC2([NH3+])CCC2)[C@@H](C[NH3+])C1 ZINC000577726521 335392751 /nfs/dbraw/zinc/39/27/51/335392751.db2.gz NTYLCHALMVNEOJ-JTQLQIEISA-N 3 2 255.366 -0.848 20 0 CBADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)CC(F)(F)C[NH3+])CC1 ZINC000577740854 335395236 /nfs/dbraw/zinc/39/52/36/335395236.db2.gz YYJITDFNRGYVIM-UHFFFAOYSA-N 2 2 292.330 -0.621 20 0 CBADLP C[C@@H](CC(=O)N1CCN(C)C[C@H]1C[NH3+])n1cc[nH+]c1 ZINC000577882621 335416892 /nfs/dbraw/zinc/41/68/92/335416892.db2.gz ZCNNSIIKMYRHLY-NWDGAFQWSA-N 2 2 265.361 -0.065 20 0 CBADLP CN(CCCn1cc[nH+]c1)C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000578235743 335589871 /nfs/dbraw/zinc/58/98/71/335589871.db2.gz VEGSUZMDZBLZQE-GFCCVEGCSA-N 2 2 293.371 -0.400 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)Nc1cccc2c1CC[NH2+]C2 ZINC000580941985 335986771 /nfs/dbraw/zinc/98/67/71/335986771.db2.gz ROLADTOEEWOZJP-UHFFFAOYSA-N 2 2 288.351 -0.297 20 0 CBADLP C[N@@H+]1CCN(C(=O)NC[C@@H]([NH3+])c2ccccc2)[C@H](C[NH3+])C1 ZINC000581300014 336041624 /nfs/dbraw/zinc/04/16/24/336041624.db2.gz FBEQERHLQFBRKD-ZIAGYGMSSA-N 3 2 291.399 -0.029 20 0 CBADLP C[N@H+]1CCN(C(=O)NC[C@@H]([NH3+])c2ccccc2)[C@H](C[NH3+])C1 ZINC000581300014 336041625 /nfs/dbraw/zinc/04/16/25/336041625.db2.gz FBEQERHLQFBRKD-ZIAGYGMSSA-N 3 2 291.399 -0.029 20 0 CBADLP COC(=O)CCNC(=O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000581311150 336045906 /nfs/dbraw/zinc/04/59/06/336045906.db2.gz IYKPEIIOXQUSTQ-GHMZBOCLSA-N 2 2 269.345 -0.793 20 0 CBADLP COC(=O)CCNC(=O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000581311150 336045907 /nfs/dbraw/zinc/04/59/07/336045907.db2.gz IYKPEIIOXQUSTQ-GHMZBOCLSA-N 2 2 269.345 -0.793 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])CC1 ZINC000581310903 336045973 /nfs/dbraw/zinc/04/59/73/336045973.db2.gz SOGSRLLHSUJPPK-QWRGUYRKSA-N 2 2 270.377 -0.608 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])CC1 ZINC000581310904 336045992 /nfs/dbraw/zinc/04/59/92/336045992.db2.gz SOGSRLLHSUJPPK-WDEREUQCSA-N 2 2 270.377 -0.608 20 0 CBADLP C[NH2+]C[C@H](C)C(=O)NC[C@@H]1CCC[N@H+](CC(=O)OC)C1 ZINC000581487606 336088011 /nfs/dbraw/zinc/08/80/11/336088011.db2.gz XOEHLNDWGJJZIL-RYUDHWBXSA-N 2 2 285.388 -0.157 20 0 CBADLP C[NH2+]C[C@H](C)C(=O)NC[C@@H]1CCC[N@@H+](CC(=O)OC)C1 ZINC000581487606 336088012 /nfs/dbraw/zinc/08/80/12/336088012.db2.gz XOEHLNDWGJJZIL-RYUDHWBXSA-N 2 2 285.388 -0.157 20 0 CBADLP [NH3+][C@@H]1C[C@H]2C[N@H+](C[C@@H]3CCC[NH2+]C3)CCN2C1=O ZINC000581499885 336090685 /nfs/dbraw/zinc/09/06/85/336090685.db2.gz VWJWBZFHNZQZFX-GRYCIOLGSA-N 3 2 252.362 -0.770 20 0 CBADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](C[C@@H]3CCC[NH2+]C3)CCN2C1=O ZINC000581499885 336090687 /nfs/dbraw/zinc/09/06/87/336090687.db2.gz VWJWBZFHNZQZFX-GRYCIOLGSA-N 3 2 252.362 -0.770 20 0 CBADLP COCCCNC(=O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000386144370 336166997 /nfs/dbraw/zinc/16/69/97/336166997.db2.gz OBCXTYVARHJZNC-VXGBXAGGSA-N 2 2 255.362 -0.320 20 0 CBADLP COCCCNC(=O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000386144370 336166998 /nfs/dbraw/zinc/16/69/98/336166998.db2.gz OBCXTYVARHJZNC-VXGBXAGGSA-N 2 2 255.362 -0.320 20 0 CBADLP COCC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000581977397 336181943 /nfs/dbraw/zinc/18/19/43/336181943.db2.gz VATPEMQGVAWVOK-LLVKDONJSA-N 2 2 252.318 -0.280 20 0 CBADLP COCC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000581977397 336181944 /nfs/dbraw/zinc/18/19/44/336181944.db2.gz VATPEMQGVAWVOK-LLVKDONJSA-N 2 2 252.318 -0.280 20 0 CBADLP COC(=O)CNC(=O)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000157358755 523190870 /nfs/dbraw/zinc/19/08/70/523190870.db2.gz QRZWTTZDXQDBFW-GFCCVEGCSA-N 2 2 283.372 -0.307 20 0 CBADLP COC(=O)CNC(=O)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000157358755 523190884 /nfs/dbraw/zinc/19/08/84/523190884.db2.gz QRZWTTZDXQDBFW-GFCCVEGCSA-N 2 2 283.372 -0.307 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H](C)C1C[NH2+]C1 ZINC000163941497 524355583 /nfs/dbraw/zinc/35/55/83/524355583.db2.gz IGSMOMGNNRPPQC-GHMZBOCLSA-N 2 2 255.362 -0.321 20 0 CBADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)[C@H](C)[NH3+])CC1 ZINC000164027534 526026362 /nfs/dbraw/zinc/02/63/62/526026362.db2.gz OWBKMYQXJGQJRI-VHSXEESVSA-N 2 2 268.361 -0.855 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000342717538 526626681 /nfs/dbraw/zinc/62/66/81/526626681.db2.gz VRTONAIWANHLPD-OCCSQVGLSA-N 2 2 296.415 -0.345 20 0 CBADLP CC[N@@H+]1CCOC[C@H]1C(=O)NCCC[NH+](C)CCOC ZINC000378445044 527722399 /nfs/dbraw/zinc/72/23/99/527722399.db2.gz RIZSOJYGQHQSTA-ZDUSSCGKSA-N 2 2 287.404 -0.208 20 0 CBADLP CC[N@H+]1CCOC[C@H]1C(=O)NCCC[NH+](C)CCOC ZINC000378445044 527722403 /nfs/dbraw/zinc/72/24/03/527722403.db2.gz RIZSOJYGQHQSTA-ZDUSSCGKSA-N 2 2 287.404 -0.208 20 0 CBADLP CC[NH+]1CCOC[C@H]1C(=O)NCCC[N@H+](C)CCOC ZINC000378445044 527722405 /nfs/dbraw/zinc/72/24/05/527722405.db2.gz RIZSOJYGQHQSTA-ZDUSSCGKSA-N 2 2 287.404 -0.208 20 0 CBADLP CC[NH+]1CCOC[C@H]1C(=O)NCCC[N@@H+](C)CCOC ZINC000378445044 527722409 /nfs/dbraw/zinc/72/24/09/527722409.db2.gz RIZSOJYGQHQSTA-ZDUSSCGKSA-N 2 2 287.404 -0.208 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[NH2+]C[C@@H]2C(F)F)C1 ZINC000377567215 527726080 /nfs/dbraw/zinc/72/60/80/527726080.db2.gz ZEFULBCMFQDHQL-NXEZZACHSA-N 2 2 277.315 -0.227 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[NH2+]C[C@@H]2C(F)F)C1 ZINC000377567215 527726083 /nfs/dbraw/zinc/72/60/83/527726083.db2.gz ZEFULBCMFQDHQL-NXEZZACHSA-N 2 2 277.315 -0.227 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](C[C@H](C)O)C[C@H]2C)C1 ZINC000356902227 527734565 /nfs/dbraw/zinc/73/45/65/527734565.db2.gz LHEDTQVGLBHPLW-RDBSUJKOSA-N 2 2 299.415 -0.379 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[NH+](C[C@H](C)O)C[C@H]2C)C1 ZINC000356902227 527734568 /nfs/dbraw/zinc/73/45/68/527734568.db2.gz LHEDTQVGLBHPLW-RDBSUJKOSA-N 2 2 299.415 -0.379 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)C1 ZINC000356902227 527734572 /nfs/dbraw/zinc/73/45/72/527734572.db2.gz LHEDTQVGLBHPLW-RDBSUJKOSA-N 2 2 299.415 -0.379 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)C1 ZINC000356902227 527734574 /nfs/dbraw/zinc/73/45/74/527734574.db2.gz LHEDTQVGLBHPLW-RDBSUJKOSA-N 2 2 299.415 -0.379 20 0 CBADLP CC[N@H+](CC(=O)N1CCC[NH+](CC(=O)NC)CC1)C1CC1 ZINC000371019642 527896070 /nfs/dbraw/zinc/89/60/70/527896070.db2.gz SZOCYJUXJAYUEI-UHFFFAOYSA-N 2 2 296.415 -0.249 20 0 CBADLP CC[N@@H+](CC(=O)N1CCC[NH+](CC(=O)NC)CC1)C1CC1 ZINC000371019642 527896076 /nfs/dbraw/zinc/89/60/76/527896076.db2.gz SZOCYJUXJAYUEI-UHFFFAOYSA-N 2 2 296.415 -0.249 20 0 CBADLP CC[NH+](CC(=O)N1CCC[N@H+](CC(=O)NC)CC1)C1CC1 ZINC000371019642 527896079 /nfs/dbraw/zinc/89/60/79/527896079.db2.gz SZOCYJUXJAYUEI-UHFFFAOYSA-N 2 2 296.415 -0.249 20 0 CBADLP CC[NH+](CC(=O)N1CCC[N@@H+](CC(=O)NC)CC1)C1CC1 ZINC000371019642 527896085 /nfs/dbraw/zinc/89/60/85/527896085.db2.gz SZOCYJUXJAYUEI-UHFFFAOYSA-N 2 2 296.415 -0.249 20 0 CBADLP CCC[C@@H]([NH3+])C(=O)N1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000378208166 528963913 /nfs/dbraw/zinc/96/39/13/528963913.db2.gz GHMQGKWBTMKUHC-OLZOCXBDSA-N 2 2 296.415 -0.073 20 0 CBADLP CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000174645818 529090930 /nfs/dbraw/zinc/09/09/30/529090930.db2.gz SUYGBJPDGAXQBI-RYUDHWBXSA-N 2 2 255.362 -0.083 20 0 CBADLP CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000174645818 529090933 /nfs/dbraw/zinc/09/09/33/529090933.db2.gz SUYGBJPDGAXQBI-RYUDHWBXSA-N 2 2 255.362 -0.083 20 0 CBADLP CC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000174645818 529090935 /nfs/dbraw/zinc/09/09/35/529090935.db2.gz SUYGBJPDGAXQBI-RYUDHWBXSA-N 2 2 255.362 -0.083 20 0 CBADLP CC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000174645818 529090936 /nfs/dbraw/zinc/09/09/36/529090936.db2.gz SUYGBJPDGAXQBI-RYUDHWBXSA-N 2 2 255.362 -0.083 20 0 CBADLP CC(C)[N@H+]1CCO[C@H](C(=O)N2CC[NH+](C[C@H](C)O)CC2)C1 ZINC000356469264 535218068 /nfs/dbraw/zinc/21/80/68/535218068.db2.gz XZLAAXZCTDLPJA-KBPBESRZSA-N 2 2 299.415 -0.379 20 0 CBADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](C[C@H](C)O)CC2)C1 ZINC000356469264 535218073 /nfs/dbraw/zinc/21/80/73/535218073.db2.gz XZLAAXZCTDLPJA-KBPBESRZSA-N 2 2 299.415 -0.379 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)c1ccnc(C[NH3+])c1 ZINC000130021073 582123261 /nfs/dbraw/zinc/12/32/61/582123261.db2.gz BWZVISVLOVQQHO-LLVKDONJSA-N 2 2 278.356 -0.009 20 0 CBADLP OCC[NH+]1CCN(c2cc[nH+]c(N3CCOCC3)n2)CC1 ZINC000196199977 582126884 /nfs/dbraw/zinc/12/68/84/582126884.db2.gz CKECUBQRYLHXPY-UHFFFAOYSA-N 2 2 293.371 -0.573 20 0 CBADLP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H](C[NH3+])C2)CCO1 ZINC000217545178 582128040 /nfs/dbraw/zinc/12/80/40/582128040.db2.gz XVBKGWZMPVGQBF-NEPJUHHUSA-N 2 2 255.362 -0.096 20 0 CBADLP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H](C[NH3+])C2)CCO1 ZINC000217545178 582128041 /nfs/dbraw/zinc/12/80/41/582128041.db2.gz XVBKGWZMPVGQBF-NEPJUHHUSA-N 2 2 255.362 -0.096 20 0 CBADLP CNC(=O)[C@H]1CCC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000729542342 582146831 /nfs/dbraw/zinc/14/68/31/582146831.db2.gz GMJYYAVWWIMOTJ-NWDGAFQWSA-N 2 2 255.362 -0.347 20 0 CBADLP CNC(=O)[C@H]1CCC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000729542342 582146832 /nfs/dbraw/zinc/14/68/32/582146832.db2.gz GMJYYAVWWIMOTJ-NWDGAFQWSA-N 2 2 255.362 -0.347 20 0 CBADLP CN1CC[N@H+](C)[C@H](CNC(=S)NCC[NH+](C)C)C1 ZINC000731947559 582155851 /nfs/dbraw/zinc/15/58/51/582155851.db2.gz FOKFEIJERREYHS-LLVKDONJSA-N 2 2 273.450 -0.742 20 0 CBADLP CN1CC[N@@H+](C)[C@H](CNC(=S)NCC[NH+](C)C)C1 ZINC000731947559 582155852 /nfs/dbraw/zinc/15/58/52/582155852.db2.gz FOKFEIJERREYHS-LLVKDONJSA-N 2 2 273.450 -0.742 20 0 CBADLP C[C@H](CNC(=O)CC[NH+]1CCOCC1)N1CC[NH+](C)CC1 ZINC000733977463 582167097 /nfs/dbraw/zinc/16/70/97/582167097.db2.gz LVWKAWZDBGVRQN-CQSZACIVSA-N 2 2 298.431 -0.539 20 0 CBADLP C[C@H](CNC(=O)CC[NH+]1CCOCC1)[NH+]1CCN(C)CC1 ZINC000733977463 582167100 /nfs/dbraw/zinc/16/71/00/582167100.db2.gz LVWKAWZDBGVRQN-CQSZACIVSA-N 2 2 298.431 -0.539 20 0 CBADLP O=C1NCCN1[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000734208808 582168441 /nfs/dbraw/zinc/16/84/41/582168441.db2.gz BMHIKTDLAZIYDU-ZIAGYGMSSA-N 2 2 296.415 -0.067 20 0 CBADLP O=C1NCCN1[C@@H]1CCC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000734208808 582168442 /nfs/dbraw/zinc/16/84/42/582168442.db2.gz BMHIKTDLAZIYDU-ZIAGYGMSSA-N 2 2 296.415 -0.067 20 0 CBADLP C[C@H](O)C[NH+]1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC000763042673 582319196 /nfs/dbraw/zinc/31/91/96/582319196.db2.gz LYMOPOFCNDVQHJ-LBPRGKRZSA-N 2 2 269.389 -0.004 20 0 CBADLP O=C1CC[C@H]([N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)C(=O)N1 ZINC000765961730 582329155 /nfs/dbraw/zinc/32/91/55/582329155.db2.gz FGORUXJKAVZJFZ-NEPJUHHUSA-N 2 2 281.356 -0.554 20 0 CBADLP O=C1CC[C@H]([N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)C(=O)N1 ZINC000765961730 582329156 /nfs/dbraw/zinc/32/91/56/582329156.db2.gz FGORUXJKAVZJFZ-NEPJUHHUSA-N 2 2 281.356 -0.554 20 0 CBADLP COC(=O)C[C@@]1([NH2+]C[C@H](O)C[NH+]2CCCC2)CCOC1 ZINC000767034280 582331596 /nfs/dbraw/zinc/33/15/96/582331596.db2.gz XCQSLORJUKFZAK-JSGCOSHPSA-N 2 2 286.372 -0.245 20 0 CBADLP COC(=O)C1(O)CC[NH+](C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000769972067 582337394 /nfs/dbraw/zinc/33/73/94/582337394.db2.gz XWQZFSRNRQWIRE-LBPRGKRZSA-N 2 2 286.372 -0.557 20 0 CBADLP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)CC[N@@H+]1CCO ZINC000779311990 582360714 /nfs/dbraw/zinc/36/07/14/582360714.db2.gz VJQIPIPHTMLVCR-CYBMUJFWSA-N 2 2 285.388 -0.766 20 0 CBADLP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)CC[N@H+]1CCO ZINC000779311990 582360715 /nfs/dbraw/zinc/36/07/15/582360715.db2.gz VJQIPIPHTMLVCR-CYBMUJFWSA-N 2 2 285.388 -0.766 20 0 CBADLP C[C@H](CCO)[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000779411736 582361097 /nfs/dbraw/zinc/36/10/97/582361097.db2.gz HKXRLEBGHLVXAA-CHWSQXEVSA-N 2 2 285.388 -0.720 20 0 CBADLP OC1(C[NH+]2CCOCC2)CC[NH+](CC2OCCO2)CC1 ZINC000779604251 582362061 /nfs/dbraw/zinc/36/20/61/582362061.db2.gz SWRBVFLGGTWVJQ-UHFFFAOYSA-N 2 2 286.372 -0.482 20 0 CBADLP C[NH+](C)Cc1cnc(C[NH2+]C[C@H]2CC(C(N)=O)=NO2)s1 ZINC000796362702 582411650 /nfs/dbraw/zinc/41/16/50/582411650.db2.gz LHBZXRIMEADPCP-MRVPVSSYSA-N 2 2 297.384 -0.076 20 0 CBADLP C[NH+](C)Cc1cnc(C[NH2+]C[C@@H]2CC(C(N)=O)=NO2)s1 ZINC000796362719 582411718 /nfs/dbraw/zinc/41/17/18/582411718.db2.gz LHBZXRIMEADPCP-QMMMGPOBSA-N 2 2 297.384 -0.076 20 0 CBADLP C[C@@H]1CCNC(=O)[C@H]1[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000799345957 582419624 /nfs/dbraw/zinc/41/96/24/582419624.db2.gz CEJJXMOOQYZDDH-WOPDTQHZSA-N 2 2 255.362 -0.443 20 0 CBADLP CC[N@H+](C[C@@H](O)C[NH+]1CCCC1)[C@H]1CCNC1=O ZINC000799354609 582419703 /nfs/dbraw/zinc/41/97/03/582419703.db2.gz UVGSWIZDIFEIPB-RYUDHWBXSA-N 2 2 255.362 -0.347 20 0 CBADLP CC[N@@H+](C[C@@H](O)C[NH+]1CCCC1)[C@H]1CCNC1=O ZINC000799354609 582419704 /nfs/dbraw/zinc/41/97/04/582419704.db2.gz UVGSWIZDIFEIPB-RYUDHWBXSA-N 2 2 255.362 -0.347 20 0 CBADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1cnn(C)n1 ZINC000815123491 582460980 /nfs/dbraw/zinc/46/09/80/582460980.db2.gz ADTOPAZRIALXFA-LLVKDONJSA-N 2 2 252.366 -0.459 20 0 CBADLP Cn1ncc(C[NH2+]CC(=O)NCC[NH+]2CCCCCC2)n1 ZINC000816620287 582477945 /nfs/dbraw/zinc/47/79/45/582477945.db2.gz PLJIEMPRPJMTDY-UHFFFAOYSA-N 2 2 294.403 -0.103 20 0 CBADLP CON(C)C(=O)CC[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000819048901 582525259 /nfs/dbraw/zinc/52/52/59/582525259.db2.gz DDOOTQZVEMLCML-LLVKDONJSA-N 2 2 258.366 -0.768 20 0 CBADLP CON(C)C(=O)CC[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000819048901 582525260 /nfs/dbraw/zinc/52/52/60/582525260.db2.gz DDOOTQZVEMLCML-LLVKDONJSA-N 2 2 258.366 -0.768 20 0 CBADLP CON(C)C(=O)CC[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000819062742 582525618 /nfs/dbraw/zinc/52/56/18/582525618.db2.gz IYPDEBUJXLFJNE-UHFFFAOYSA-N 2 2 269.349 -0.014 20 0 CBADLP Cn1nncc1NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000823219693 582663565 /nfs/dbraw/zinc/66/35/65/582663565.db2.gz NMWSYEASQMOTCC-UHFFFAOYSA-N 2 2 283.380 -0.180 20 0 CBADLP Cn1nncc1NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000823219693 582663567 /nfs/dbraw/zinc/66/35/67/582663567.db2.gz NMWSYEASQMOTCC-UHFFFAOYSA-N 2 2 283.380 -0.180 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C[C@@H]1CC(=O)NC1=O ZINC000824955934 582716458 /nfs/dbraw/zinc/71/64/58/582716458.db2.gz DLTRSELZWPNTNI-LLVKDONJSA-N 2 2 298.387 -0.961 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C[C@@H]1CC(=O)NC1=O ZINC000824955934 582716460 /nfs/dbraw/zinc/71/64/60/582716460.db2.gz DLTRSELZWPNTNI-LLVKDONJSA-N 2 2 298.387 -0.961 20 0 CBADLP Cn1c[nH+]c(/C=C/C(=O)N2CC[N@H+](C)C[C@@H]2CO)c1 ZINC000826707823 582786609 /nfs/dbraw/zinc/78/66/09/582786609.db2.gz NYYSCYAFNSMIFA-AAOUONPWSA-N 2 2 264.329 -0.432 20 0 CBADLP Cn1c[nH+]c(/C=C/C(=O)N2CC[N@@H+](C)C[C@@H]2CO)c1 ZINC000826707823 582786611 /nfs/dbraw/zinc/78/66/11/582786611.db2.gz NYYSCYAFNSMIFA-AAOUONPWSA-N 2 2 264.329 -0.432 20 0 CBADLP C[NH+]1CCC(OCC(=O)N2CC[N@H+](C)C[C@@H]2CO)CC1 ZINC000826708055 582786900 /nfs/dbraw/zinc/78/69/00/582786900.db2.gz ROMUZKOBKDZBTD-GFCCVEGCSA-N 2 2 285.388 -0.768 20 0 CBADLP C[NH+]1CCC(OCC(=O)N2CC[N@@H+](C)C[C@@H]2CO)CC1 ZINC000826708055 582786903 /nfs/dbraw/zinc/78/69/03/582786903.db2.gz ROMUZKOBKDZBTD-GFCCVEGCSA-N 2 2 285.388 -0.768 20 0 CBADLP C[NH+]1CCC(OCC(=O)NC[C@H]2COCC[N@@H+]2C)CC1 ZINC000827429265 582816567 /nfs/dbraw/zinc/81/65/67/582816567.db2.gz XMEMTOYAQSSVPT-LBPRGKRZSA-N 2 2 285.388 -0.456 20 0 CBADLP C[NH+]1CCC(OCC(=O)NC[C@H]2COCC[N@H+]2C)CC1 ZINC000827429265 582816568 /nfs/dbraw/zinc/81/65/68/582816568.db2.gz XMEMTOYAQSSVPT-LBPRGKRZSA-N 2 2 285.388 -0.456 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)[C@]1(F)CC[NH2+]C1 ZINC000828415797 582854949 /nfs/dbraw/zinc/85/49/49/582854949.db2.gz XHIRUJAFEATRLH-LBPRGKRZSA-N 2 2 259.325 -0.521 20 0 CBADLP Cn1c[nH+]c(/C=C/C(=O)NCC[N@H+](C)CCOCCO)c1 ZINC000829444324 582886858 /nfs/dbraw/zinc/88/68/58/582886858.db2.gz CVJINPSYXGUGQH-ONEGZZNKSA-N 2 2 296.371 -0.510 20 0 CBADLP Cn1cc(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)[nH]c1=O ZINC000829672113 582893868 /nfs/dbraw/zinc/89/38/68/582893868.db2.gz ABPUTLPAIUROJC-UHFFFAOYSA-N 2 2 295.387 -0.119 20 0 CBADLP C[NH+]1CCC2(CC1)C[N@@H+]([C@@H]1CCC(=O)NC1=O)CCO2 ZINC000830652063 582937377 /nfs/dbraw/zinc/93/73/77/582937377.db2.gz LSYKGPHHHYHZNG-LLVKDONJSA-N 2 2 281.356 -0.412 20 0 CBADLP C[NH+]1CCC2(CC1)C[N@H+]([C@@H]1CCC(=O)NC1=O)CCO2 ZINC000830652063 582937379 /nfs/dbraw/zinc/93/73/79/582937379.db2.gz LSYKGPHHHYHZNG-LLVKDONJSA-N 2 2 281.356 -0.412 20 0 CBADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)CCCCC[NH3+])CC1 ZINC000830782882 582939980 /nfs/dbraw/zinc/93/99/80/582939980.db2.gz DJEWIDGECJHMCL-UHFFFAOYSA-N 2 2 284.404 -0.086 20 0 CBADLP COC(=O)[C@@H]1C[C@H](O)C[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000830896309 582943439 /nfs/dbraw/zinc/94/34/39/582943439.db2.gz IAALKXSPFNEZCM-AGIUHOORSA-N 2 2 286.372 -0.701 20 0 CBADLP COC(=O)[C@@H]1C[C@H](O)C[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000830896309 582943443 /nfs/dbraw/zinc/94/34/43/582943443.db2.gz IAALKXSPFNEZCM-AGIUHOORSA-N 2 2 286.372 -0.701 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000834448564 583123429 /nfs/dbraw/zinc/12/34/29/583123429.db2.gz RKHLYYJFWOMSPN-UHFFFAOYSA-N 2 2 280.372 -0.980 20 0 CBADLP C[N@@H+]1CCN(C(=O)NCCOc2cccnc2)[C@@H](C[NH3+])C1 ZINC000841821206 583174852 /nfs/dbraw/zinc/17/48/52/583174852.db2.gz YRLADKDNLXGWHE-LBPRGKRZSA-N 2 2 293.371 -0.255 20 0 CBADLP C[N@H+]1CCN(C(=O)NCCOc2cccnc2)[C@@H](C[NH3+])C1 ZINC000841821206 583174855 /nfs/dbraw/zinc/17/48/55/583174855.db2.gz YRLADKDNLXGWHE-LBPRGKRZSA-N 2 2 293.371 -0.255 20 0 CBADLP C[N@@H+]1CCN(C(=O)NC[C@H]2COC(C)(C)O2)[C@@H](C[NH3+])C1 ZINC000841876036 583175584 /nfs/dbraw/zinc/17/55/84/583175584.db2.gz QCLYTXAZHZNQSN-QWRGUYRKSA-N 2 2 286.376 -0.578 20 0 CBADLP C[N@H+]1CCN(C(=O)NC[C@H]2COC(C)(C)O2)[C@@H](C[NH3+])C1 ZINC000841876036 583175585 /nfs/dbraw/zinc/17/55/85/583175585.db2.gz QCLYTXAZHZNQSN-QWRGUYRKSA-N 2 2 286.376 -0.578 20 0 CBADLP CON(C)C(=O)CC[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000843095185 583201122 /nfs/dbraw/zinc/20/11/22/583201122.db2.gz NPLKRKLMUQTAKB-GFCCVEGCSA-N 2 2 273.377 -0.167 20 0 CBADLP CON(C)C(=O)CC[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000843095185 583201124 /nfs/dbraw/zinc/20/11/24/583201124.db2.gz NPLKRKLMUQTAKB-GFCCVEGCSA-N 2 2 273.377 -0.167 20 0 CBADLP CCOC(=O)N1CCN(C(=O)C[N@H+](C)CCC[NH3+])CC1 ZINC000843351396 583211811 /nfs/dbraw/zinc/21/18/11/583211811.db2.gz QUHOMJOYEZYKJJ-UHFFFAOYSA-N 2 2 286.376 -0.432 20 0 CBADLP CCOC(=O)N1CCN(C(=O)C[N@@H+](C)CCC[NH3+])CC1 ZINC000843351396 583211813 /nfs/dbraw/zinc/21/18/13/583211813.db2.gz QUHOMJOYEZYKJJ-UHFFFAOYSA-N 2 2 286.376 -0.432 20 0 CBADLP CCOC(=O)C1=C(C[N@H+](C)C2CC([NH3+])C2)NC(=O)N[C@@H]1C ZINC000843387555 583214702 /nfs/dbraw/zinc/21/47/02/583214702.db2.gz LVSIZXFORWWYEH-XNWIYYODSA-N 2 2 296.371 -0.074 20 0 CBADLP CCOC(=O)C1=C(C[N@@H+](C)C2CC([NH3+])C2)NC(=O)N[C@@H]1C ZINC000843387555 583214705 /nfs/dbraw/zinc/21/47/05/583214705.db2.gz LVSIZXFORWWYEH-XNWIYYODSA-N 2 2 296.371 -0.074 20 0 CBADLP O=C(c1n[nH]c2c1C[NH2+]CC2)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000843484589 583226799 /nfs/dbraw/zinc/22/67/99/583226799.db2.gz KNVLVDDGTQZEQK-JOYOIKCWSA-N 2 2 275.356 -0.121 20 0 CBADLP C[C@@H]1[C@H](C(=O)N2CCC[NH+](CC(N)=O)CC2)CC[N@@H+]1C ZINC000843787514 583236578 /nfs/dbraw/zinc/23/65/78/583236578.db2.gz ADVLLOSEMBXSPI-VXGBXAGGSA-N 2 2 282.388 -0.654 20 0 CBADLP C[C@@H]1[C@H](C(=O)N2CCC[NH+](CC(N)=O)CC2)CC[N@H+]1C ZINC000843787514 583236579 /nfs/dbraw/zinc/23/65/79/583236579.db2.gz ADVLLOSEMBXSPI-VXGBXAGGSA-N 2 2 282.388 -0.654 20 0 CBADLP C[C@@H]1[C@H](C(=O)N2CCC[N@H+](CC(N)=O)CC2)CC[NH+]1C ZINC000843787514 583236581 /nfs/dbraw/zinc/23/65/81/583236581.db2.gz ADVLLOSEMBXSPI-VXGBXAGGSA-N 2 2 282.388 -0.654 20 0 CBADLP C[C@@H]1[C@H](C(=O)N2CCC[N@@H+](CC(N)=O)CC2)CC[NH+]1C ZINC000843787514 583236583 /nfs/dbraw/zinc/23/65/83/583236583.db2.gz ADVLLOSEMBXSPI-VXGBXAGGSA-N 2 2 282.388 -0.654 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)CO[C@H]2CCC[NH2+]C2)CCO1 ZINC000844179716 583257858 /nfs/dbraw/zinc/25/78/58/583257858.db2.gz XFXWECPQMPIQLP-OLZOCXBDSA-N 2 2 285.388 -0.408 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)CO[C@H]2CCC[NH2+]C2)CCO1 ZINC000844179716 583257861 /nfs/dbraw/zinc/25/78/61/583257861.db2.gz XFXWECPQMPIQLP-OLZOCXBDSA-N 2 2 285.388 -0.408 20 0 CBADLP CC1(C)COCC[N@@H+]1CCNC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000844180962 583258315 /nfs/dbraw/zinc/25/83/15/583258315.db2.gz JMNIPSYDJFSKJP-CYBMUJFWSA-N 2 2 299.415 -0.018 20 0 CBADLP CC1(C)COCC[N@H+]1CCNC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000844180962 583258317 /nfs/dbraw/zinc/25/83/17/583258317.db2.gz JMNIPSYDJFSKJP-CYBMUJFWSA-N 2 2 299.415 -0.018 20 0 CBADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000844191537 583259916 /nfs/dbraw/zinc/25/99/16/583259916.db2.gz WVSCXUIRGLOELE-UONOGXRCSA-N 2 2 298.431 -0.493 20 0 CBADLP COC[C@H]1C[C@@H](O)C[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000844401251 583269712 /nfs/dbraw/zinc/26/97/12/583269712.db2.gz HYKHQPVSUVACDU-UPJWGTAASA-N 2 2 258.362 -0.475 20 0 CBADLP COC[C@H]1C[C@@H](O)C[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000844401251 583269715 /nfs/dbraw/zinc/26/97/15/583269715.db2.gz HYKHQPVSUVACDU-UPJWGTAASA-N 2 2 258.362 -0.475 20 0 CBADLP COC(=O)N1CCC[C@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000846670997 583381802 /nfs/dbraw/zinc/38/18/02/583381802.db2.gz WNUMHCGJPFCUDZ-WDEREUQCSA-N 2 2 286.376 -0.388 20 0 CBADLP CCCOC(=O)CCNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000846670174 583381843 /nfs/dbraw/zinc/38/18/43/583381843.db2.gz MFNMDAUMVVGQMI-SNVBAGLBSA-N 2 2 259.350 -0.275 20 0 CBADLP C[C@H]1CCC[N@@H+]1CCNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000846716616 583386111 /nfs/dbraw/zinc/38/61/11/583386111.db2.gz DFCVWIHDOANTRO-RYUDHWBXSA-N 3 2 256.394 -0.134 20 0 CBADLP C[C@H]1CCC[N@H+]1CCNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000846716616 583386114 /nfs/dbraw/zinc/38/61/14/583386114.db2.gz DFCVWIHDOANTRO-RYUDHWBXSA-N 3 2 256.394 -0.134 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH2+]C1(C(N)=O)CCCC1 ZINC000846830560 583388677 /nfs/dbraw/zinc/38/86/77/583388677.db2.gz ZKLAOZSCAVFWPV-NSHDSACASA-N 2 2 273.377 -0.687 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH2+]C1(C(N)=O)CCCC1 ZINC000846830560 583388680 /nfs/dbraw/zinc/38/86/80/583388680.db2.gz ZKLAOZSCAVFWPV-NSHDSACASA-N 2 2 273.377 -0.687 20 0 CBADLP O=C1OCCN1CC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000846877332 583391000 /nfs/dbraw/zinc/39/10/00/583391000.db2.gz HGDBQIGDVYMLFA-UHFFFAOYSA-N 2 2 265.317 -0.016 20 0 CBADLP O=C1CC[C@H]([NH+]2CCN(c3[nH]cc[nH+]3)CC2)C(=O)N1 ZINC000846877269 583391187 /nfs/dbraw/zinc/39/11/87/583391187.db2.gz JJECEPNFISRMFU-VIFPVBQESA-N 2 2 263.301 -0.663 20 0 CBADLP C[N@H+](CCC[NH3+])Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000849133273 583472256 /nfs/dbraw/zinc/47/22/56/583472256.db2.gz LIOVWQZIBSFASJ-NSHDSACASA-N 3 2 252.366 -0.017 20 0 CBADLP C[N@@H+](CCC[NH3+])Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000849133273 583472258 /nfs/dbraw/zinc/47/22/58/583472258.db2.gz LIOVWQZIBSFASJ-NSHDSACASA-N 3 2 252.366 -0.017 20 0 CBADLP Cc1ccc(NC(=O)C(=O)N[C@H]2CC[NH2+]C2)c(N(C)C)[nH+]1 ZINC000850835968 583506467 /nfs/dbraw/zinc/50/64/67/583506467.db2.gz FTLRUMGKEJODLZ-JTQLQIEISA-N 2 2 291.355 -0.127 20 0 CBADLP C[N@H+](C[C@@H](O)C[NH+]1CCCC1)C[C@H]1COCCO1 ZINC000852494800 583547685 /nfs/dbraw/zinc/54/76/85/583547685.db2.gz FNMZLZWHAMCJBX-OLZOCXBDSA-N 2 2 258.362 -0.210 20 0 CBADLP C[N@@H+](C[C@@H](O)C[NH+]1CCCC1)C[C@H]1COCCO1 ZINC000852494800 583547686 /nfs/dbraw/zinc/54/76/86/583547686.db2.gz FNMZLZWHAMCJBX-OLZOCXBDSA-N 2 2 258.362 -0.210 20 0 CBADLP [NH3+]C[C@@H]1CC(C(=O)NCCCn2cc[nH+]c2)=NO1 ZINC000852854268 583561138 /nfs/dbraw/zinc/56/11/38/583561138.db2.gz BBHKAMDPRBDSFA-VIFPVBQESA-N 2 2 251.290 -0.507 20 0 CBADLP O=C(C=C1CC[NH2+]CC1)NCC[NH+]1CCOCC1 ZINC000852855809 583561411 /nfs/dbraw/zinc/56/14/11/583561411.db2.gz IEFBCRZADXLRNN-UHFFFAOYSA-N 2 2 253.346 -0.255 20 0 CBADLP C[C@@H](CNC(=O)C1=NO[C@H](C[NH3+])C1)Cn1cc[nH+]c1 ZINC000852861110 583562818 /nfs/dbraw/zinc/56/28/18/583562818.db2.gz ORYAVANHUVDFBW-UWVGGRQHSA-N 2 2 265.317 -0.261 20 0 CBADLP [NH3+]C[C@@H]1CC(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)=NO1 ZINC000852886078 583568692 /nfs/dbraw/zinc/56/86/92/583568692.db2.gz GSAUXGJXMPBKNT-QWRGUYRKSA-N 2 2 289.339 -0.120 20 0 CBADLP COC(=O)[C@]1(F)CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000852897804 583571731 /nfs/dbraw/zinc/57/17/31/583571731.db2.gz MWOPYFIDARHFSC-SKDRFNHKSA-N 2 2 275.324 -0.621 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)CO[C@H]2CCC[NH2+]C2)[C@H](C)CO1 ZINC000852902556 583572604 /nfs/dbraw/zinc/57/26/04/583572604.db2.gz IBQZNZUSSIZCMZ-MCIONIFRSA-N 2 2 299.415 -0.020 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)CO[C@H]2CCC[NH2+]C2)[C@H](C)CO1 ZINC000852902556 583572605 /nfs/dbraw/zinc/57/26/05/583572605.db2.gz IBQZNZUSSIZCMZ-MCIONIFRSA-N 2 2 299.415 -0.020 20 0 CBADLP [NH3+]C[C@@H]1CC(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)=NO1 ZINC000852906747 583573380 /nfs/dbraw/zinc/57/33/80/583573380.db2.gz QHUONFVQZZOLPS-QWRGUYRKSA-N 2 2 282.344 -0.977 20 0 CBADLP O=C(CO[C@H]1CCC[NH2+]C1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000852906716 583573427 /nfs/dbraw/zinc/57/34/27/583573427.db2.gz PMMQGOFKRVVQLK-KBPBESRZSA-N 2 2 297.399 -0.312 20 0 CBADLP COC(=O)N(C)CCN(C)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000852910123 583573834 /nfs/dbraw/zinc/57/38/34/583573834.db2.gz MZVALEDAJNAEBJ-JTQLQIEISA-N 2 2 274.365 -0.578 20 0 CBADLP Cc1nn[nH]c1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000855415333 583638845 /nfs/dbraw/zinc/63/88/45/583638845.db2.gz VKVSXTMIQFPPGB-UHFFFAOYSA-N 2 2 268.365 -0.274 20 0 CBADLP Cc1nn[nH]c1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000855415333 583638847 /nfs/dbraw/zinc/63/88/47/583638847.db2.gz VKVSXTMIQFPPGB-UHFFFAOYSA-N 2 2 268.365 -0.274 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1COC(=O)N1 ZINC000855415408 583639088 /nfs/dbraw/zinc/63/90/88/583639088.db2.gz XNXLGVNAWPVEDG-SNVBAGLBSA-N 2 2 272.349 -0.906 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1COC(=O)N1 ZINC000855415408 583639091 /nfs/dbraw/zinc/63/90/91/583639091.db2.gz XNXLGVNAWPVEDG-SNVBAGLBSA-N 2 2 272.349 -0.906 20 0 CBADLP CCNC(=O)C[NH+]1CCN(c2cc[nH+]c(CO)c2)CC1 ZINC000858340353 583691733 /nfs/dbraw/zinc/69/17/33/583691733.db2.gz DISJGUQHSINSMD-UHFFFAOYSA-N 2 2 278.356 -0.168 20 0 CBADLP Nc1nc(N)[nH+]c(NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)n1 ZINC000858374638 583693426 /nfs/dbraw/zinc/69/34/26/583693426.db2.gz RFFWTAAPDJWTTI-YUMQZZPRSA-N 2 2 265.321 -0.689 20 0 CBADLP Nc1nc(N)[nH+]c(NC[C@H]2C[N@H+]3CCC[C@H]3CO2)n1 ZINC000858374638 583693428 /nfs/dbraw/zinc/69/34/28/583693428.db2.gz RFFWTAAPDJWTTI-YUMQZZPRSA-N 2 2 265.321 -0.689 20 0 CBADLP Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)c(N(C)C)[nH+]1 ZINC000861543757 583769842 /nfs/dbraw/zinc/76/98/42/583769842.db2.gz FTLRUMGKEJODLZ-SNVBAGLBSA-N 2 2 291.355 -0.127 20 0 CBADLP C[C@H]([NH3+])CN(C)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000861555294 583770352 /nfs/dbraw/zinc/77/03/52/583770352.db2.gz LPLJIDTXGUXZEA-QWRGUYRKSA-N 2 2 258.366 -0.304 20 0 CBADLP C[C@H]([NH3+])CN(C)C(=O)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000861756312 583784615 /nfs/dbraw/zinc/78/46/15/583784615.db2.gz XCFMMWQEZOYDGT-JTQLQIEISA-N 2 2 293.371 -0.431 20 0 CBADLP C[N@@H+]1CCC[C@H]1CNC(=S)NCC[NH+]1CCOCC1 ZINC000863240661 583835424 /nfs/dbraw/zinc/83/54/24/583835424.db2.gz DKWMCDXACFBTMY-LBPRGKRZSA-N 2 2 286.445 -0.123 20 0 CBADLP C[N@H+]1CCC[C@H]1CNC(=S)NCC[NH+]1CCOCC1 ZINC000863240661 583835426 /nfs/dbraw/zinc/83/54/26/583835426.db2.gz DKWMCDXACFBTMY-LBPRGKRZSA-N 2 2 286.445 -0.123 20 0 CBADLP C[C@H]([NH2+]C1CC1)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000863583043 583847680 /nfs/dbraw/zinc/84/76/80/583847680.db2.gz LTNHHOGUXGDTIN-AAEUAGOBSA-N 2 2 285.388 -0.722 20 0 CBADLP C[C@@H]([NH2+]C1CC1)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000863583046 583847707 /nfs/dbraw/zinc/84/77/07/583847707.db2.gz LTNHHOGUXGDTIN-YPMHNXCESA-N 2 2 285.388 -0.722 20 0 CBADLP CON(C)C(=O)[C@H](C)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000863588048 583847928 /nfs/dbraw/zinc/84/79/28/583847928.db2.gz ZBHCAFNLYXVPPH-QWRGUYRKSA-N 2 2 259.350 -0.559 20 0 CBADLP C[C@H](CNC(=O)/C=C\C[NH+]1CCOCC1)[NH+](C)C ZINC000864827255 583890196 /nfs/dbraw/zinc/89/01/96/583890196.db2.gz FGLRMMAZBSVJQD-QMAVJUDZSA-N 2 2 255.362 -0.059 20 0 CBADLP O=C([C@H](O)c1c[nH+]c[nH]1)N1CC[NH+](CC2CC2)CC1 ZINC000864938588 583892488 /nfs/dbraw/zinc/89/24/88/583892488.db2.gz ZJKGKZNHLPZXLL-GFCCVEGCSA-N 2 2 264.329 -0.003 20 0 CBADLP C[NH+](C)C[C@H]1CCCN1C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000865124421 583897622 /nfs/dbraw/zinc/89/76/22/583897622.db2.gz ARGVOQYQELJMJP-MWLCHTKSSA-N 2 2 252.318 -0.004 20 0 CBADLP COCCN(CC[NH+](C)C)C(=O)/C=C\C[NH+]1CCOCC1 ZINC000865179892 583899657 /nfs/dbraw/zinc/89/96/57/583899657.db2.gz HJEUOVHIHFMFJL-PLNGDYQASA-N 2 2 299.415 -0.089 20 0 CBADLP O=C(NCC[NH+]1CCOCC1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000865344304 583903704 /nfs/dbraw/zinc/90/37/04/583903704.db2.gz DSTVSLMCVLQCQI-STQMWFEESA-N 2 2 282.388 -0.146 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@@]12COC(=O)N1CCOC2 ZINC000865770604 583909030 /nfs/dbraw/zinc/90/90/30/583909030.db2.gz SWXCQHNGHCPRHT-NTZNESFSSA-N 2 2 269.345 -0.253 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@@]12COC(=O)N1CCOC2 ZINC000865770604 583909031 /nfs/dbraw/zinc/90/90/31/583909031.db2.gz SWXCQHNGHCPRHT-NTZNESFSSA-N 2 2 269.345 -0.253 20 0 CBADLP C[NH+]1CCC(O)(CNC(=O)/C=C\C[NH+]2CCOCC2)CC1 ZINC000866222696 583918593 /nfs/dbraw/zinc/91/85/93/583918593.db2.gz QFTXROSKYGOBPJ-IHWYPQMZSA-N 2 2 297.399 -0.552 20 0 CBADLP Cn1ncc(C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)n1 ZINC000866711753 583928044 /nfs/dbraw/zinc/92/80/44/583928044.db2.gz NBEYXROQNHGSSW-TUAOUCFPSA-N 2 2 292.343 -0.818 20 0 CBADLP Cn1ncc(C[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)n1 ZINC000866711753 583928045 /nfs/dbraw/zinc/92/80/45/583928045.db2.gz NBEYXROQNHGSSW-TUAOUCFPSA-N 2 2 292.343 -0.818 20 0 CBADLP O=C1NCCO[C@@H]2CCC[N@H+](C[C@@H]3CC[NH2+]C3)[C@H]12 ZINC000866717946 583928705 /nfs/dbraw/zinc/92/87/05/583928705.db2.gz USFSIKVHJSKKBQ-UTUOFQBUSA-N 2 2 253.346 -0.425 20 0 CBADLP O=C1NCCO[C@@H]2CCC[N@@H+](C[C@@H]3CC[NH2+]C3)[C@H]12 ZINC000866717946 583928706 /nfs/dbraw/zinc/92/87/06/583928706.db2.gz USFSIKVHJSKKBQ-UTUOFQBUSA-N 2 2 253.346 -0.425 20 0 CBADLP O=C(CC[N@@H+]1CCC[C@H]2[NH2+]CC[C@H]21)N1CC[NH2+]CC1 ZINC000866724099 583928921 /nfs/dbraw/zinc/92/89/21/583928921.db2.gz IDEKSZGVRQAQCM-CHWSQXEVSA-N 3 2 266.389 -0.365 20 0 CBADLP O=C(CC[N@H+]1CCC[C@H]2[NH2+]CC[C@H]21)N1CC[NH2+]CC1 ZINC000866724099 583928924 /nfs/dbraw/zinc/92/89/24/583928924.db2.gz IDEKSZGVRQAQCM-CHWSQXEVSA-N 3 2 266.389 -0.365 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC000866726326 583929142 /nfs/dbraw/zinc/92/91/42/583929142.db2.gz YSVSZZAWJYBBHK-UONOGXRCSA-N 3 2 280.416 -0.023 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC000866726326 583929144 /nfs/dbraw/zinc/92/91/44/583929144.db2.gz YSVSZZAWJYBBHK-UONOGXRCSA-N 3 2 280.416 -0.023 20 0 CBADLP CS[C@@H]1CN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)C[C@@H]1[NH+](C)C ZINC000867021044 583938622 /nfs/dbraw/zinc/93/86/22/583938622.db2.gz PATZGFAMZRGNHT-AXFHLTTASA-N 2 2 284.385 -0.053 20 0 CBADLP C[C@H]1CN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)CC[N@@H+]1CC(C)(C)O ZINC000867654499 583959530 /nfs/dbraw/zinc/95/95/30/583959530.db2.gz LNWMJAXVNOIXSQ-JQWIXIFHSA-N 2 2 296.371 -0.253 20 0 CBADLP C[C@H]1CN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)CC[N@H+]1CC(C)(C)O ZINC000867654499 583959532 /nfs/dbraw/zinc/95/95/32/583959532.db2.gz LNWMJAXVNOIXSQ-JQWIXIFHSA-N 2 2 296.371 -0.253 20 0 CBADLP C[N@H+]1C[C@H]2CN(C(=O)/C=C\C[NH+]3CCOCC3)C[C@H]2C1 ZINC000867873673 583965681 /nfs/dbraw/zinc/96/56/81/583965681.db2.gz MQTTUKBRMZRBAF-WGPMWWHBSA-N 2 2 279.384 -0.105 20 0 CBADLP C[N@@H+]1C[C@H]2CN(C(=O)/C=C\C[NH+]3CCOCC3)C[C@H]2C1 ZINC000867873673 583965682 /nfs/dbraw/zinc/96/56/82/583965682.db2.gz MQTTUKBRMZRBAF-WGPMWWHBSA-N 2 2 279.384 -0.105 20 0 CBADLP COC[C@@]1(C(=O)Nc2cc3n(n2)CC[N@H+](C)C3)CC[NH2+]C1 ZINC000868036768 583969658 /nfs/dbraw/zinc/96/96/58/583969658.db2.gz IOIRYXPGYVZWNP-CQSZACIVSA-N 2 2 293.371 -0.107 20 0 CBADLP COC[C@@]1(C(=O)Nc2cc3n(n2)CC[N@@H+](C)C3)CC[NH2+]C1 ZINC000868036768 583969659 /nfs/dbraw/zinc/96/96/59/583969659.db2.gz IOIRYXPGYVZWNP-CQSZACIVSA-N 2 2 293.371 -0.107 20 0 CBADLP C[N@@H+]1CCn2nc(NC(=O)NC[C@@H]3C[NH2+]CCO3)cc2C1 ZINC000868203430 583972729 /nfs/dbraw/zinc/97/27/29/583972729.db2.gz CSDRYXDQGQTQON-NSHDSACASA-N 2 2 294.359 -0.562 20 0 CBADLP C[N@H+]1CCn2nc(NC(=O)NC[C@@H]3C[NH2+]CCO3)cc2C1 ZINC000868203430 583972732 /nfs/dbraw/zinc/97/27/32/583972732.db2.gz CSDRYXDQGQTQON-NSHDSACASA-N 2 2 294.359 -0.562 20 0 CBADLP C[C@H](C[NH3+])NC(=O)Nc1cc2n(n1)CC[N@H+](C)C2 ZINC000868203435 583972868 /nfs/dbraw/zinc/97/28/68/583972868.db2.gz CTWJCXKDCSVIGK-MRVPVSSYSA-N 2 2 252.322 -0.203 20 0 CBADLP C[C@H](C[NH3+])NC(=O)Nc1cc2n(n1)CC[N@@H+](C)C2 ZINC000868203435 583972870 /nfs/dbraw/zinc/97/28/70/583972870.db2.gz CTWJCXKDCSVIGK-MRVPVSSYSA-N 2 2 252.322 -0.203 20 0 CBADLP C[C@@H](C[NH+](C)C)NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000868337670 583975055 /nfs/dbraw/zinc/97/50/55/583975055.db2.gz HIIKENLGGPTIHO-ITKZLYELSA-N 2 2 255.362 -0.059 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)CC1 ZINC000868417034 583978756 /nfs/dbraw/zinc/97/87/56/583978756.db2.gz ACUSMZVKBBKXKE-OLZOCXBDSA-N 2 2 294.399 -0.497 20 0 CBADLP C[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](O)c3c[nH+]c[nH]3)C2)C1 ZINC000868535268 583980806 /nfs/dbraw/zinc/98/08/06/583980806.db2.gz QXOZJIQHWVHDQG-AAEUAGOBSA-N 2 2 264.329 -0.003 20 0 CBADLP C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](O)c3c[nH+]c[nH]3)C2)C1 ZINC000868535268 583980808 /nfs/dbraw/zinc/98/08/08/583980808.db2.gz QXOZJIQHWVHDQG-AAEUAGOBSA-N 2 2 264.329 -0.003 20 0 CBADLP COC(=O)[C@@H]1CN(C(=O)[C@H](O)c2c[nH+]c[nH]2)CC[N@H+](C)C1 ZINC000868866381 583988400 /nfs/dbraw/zinc/98/84/00/583988400.db2.gz SQKMHCOALVTVEC-GXSJLCMTSA-N 2 2 296.327 -0.994 20 0 CBADLP COC(=O)[C@@H]1CN(C(=O)[C@H](O)c2c[nH+]c[nH]2)CC[N@@H+](C)C1 ZINC000868866381 583988401 /nfs/dbraw/zinc/98/84/01/583988401.db2.gz SQKMHCOALVTVEC-GXSJLCMTSA-N 2 2 296.327 -0.994 20 0 CBADLP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000868926627 583990128 /nfs/dbraw/zinc/99/01/28/583990128.db2.gz BFRHYNYQQUECNA-ONGXEEELSA-N 2 2 252.318 -0.004 20 0 CBADLP CN(C[C@@H]1CCC[N@H+]1C)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000868926627 583990129 /nfs/dbraw/zinc/99/01/29/583990129.db2.gz BFRHYNYQQUECNA-ONGXEEELSA-N 2 2 252.318 -0.004 20 0 CBADLP CCN(C(=O)[C@@H](O)c1c[nH+]c[nH]1)[C@@H]1CC[N@H+](C)C1 ZINC000869240157 583996163 /nfs/dbraw/zinc/99/61/63/583996163.db2.gz XDKIDKGCIOCEQQ-KOLCDFICSA-N 2 2 252.318 -0.004 20 0 CBADLP CCN(C(=O)[C@@H](O)c1c[nH+]c[nH]1)[C@@H]1CC[N@@H+](C)C1 ZINC000869240157 583996164 /nfs/dbraw/zinc/99/61/64/583996164.db2.gz XDKIDKGCIOCEQQ-KOLCDFICSA-N 2 2 252.318 -0.004 20 0 CBADLP C[N@@H+]1CCN(C(=O)CCC23CC(C2)C[NH2+]3)[C@@H](C[NH3+])C1 ZINC000870938023 584022021 /nfs/dbraw/zinc/02/20/21/584022021.db2.gz DQXDVGMVLKHBJO-LXVYMNJGSA-N 3 2 266.389 -0.380 20 0 CBADLP C[N@H+]1CCN(C(=O)CCC23CC(C2)C[NH2+]3)[C@@H](C[NH3+])C1 ZINC000870938023 584022024 /nfs/dbraw/zinc/02/20/24/584022024.db2.gz DQXDVGMVLKHBJO-LXVYMNJGSA-N 3 2 266.389 -0.380 20 0 CBADLP C[N@@H+]1CCN(C(=O)[C@H]2CC[C@H]([NH3+])CC2)[C@@H](C[NH3+])C1 ZINC000870938874 584022273 /nfs/dbraw/zinc/02/22/73/584022273.db2.gz VQJYVTOIMHROAT-SRVKXCTJSA-N 3 2 254.378 -0.395 20 0 CBADLP C[N@H+]1CCN(C(=O)[C@H]2CC[C@H]([NH3+])CC2)[C@@H](C[NH3+])C1 ZINC000870938874 584022275 /nfs/dbraw/zinc/02/22/75/584022275.db2.gz VQJYVTOIMHROAT-SRVKXCTJSA-N 3 2 254.378 -0.395 20 0 CBADLP C[N@@H+]1CCN(C(=O)CC[NH2+]CC2CC2)[C@@H](C[NH3+])C1 ZINC000870938914 584022324 /nfs/dbraw/zinc/02/23/24/584022324.db2.gz WHGLBWNZJQOXTO-LBPRGKRZSA-N 3 2 254.378 -0.523 20 0 CBADLP C[N@H+]1CCN(C(=O)CC[NH2+]CC2CC2)[C@@H](C[NH3+])C1 ZINC000870938914 584022326 /nfs/dbraw/zinc/02/23/26/584022326.db2.gz WHGLBWNZJQOXTO-LBPRGKRZSA-N 3 2 254.378 -0.523 20 0 CBADLP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)CNC(=O)C[NH3+] ZINC000870978980 584023817 /nfs/dbraw/zinc/02/38/17/584023817.db2.gz DXSOAJUCNDOYCT-LBPRGKRZSA-N 2 2 276.340 -0.636 20 0 CBADLP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)CNC(=O)C[NH3+] ZINC000870978980 584023819 /nfs/dbraw/zinc/02/38/19/584023819.db2.gz DXSOAJUCNDOYCT-LBPRGKRZSA-N 2 2 276.340 -0.636 20 0 CBADLP C[N@@H+]1CCn2nc(NC(=O)[C@]34C[NH2+]C[C@H]3COC4)cc2C1 ZINC000871011109 584025061 /nfs/dbraw/zinc/02/50/61/584025061.db2.gz PEMRSHOQEHPGIA-HZMBPMFUSA-N 2 2 291.355 -0.497 20 0 CBADLP C[N@H+]1CCn2nc(NC(=O)[C@]34C[NH2+]C[C@H]3COC4)cc2C1 ZINC000871011109 584025065 /nfs/dbraw/zinc/02/50/65/584025065.db2.gz PEMRSHOQEHPGIA-HZMBPMFUSA-N 2 2 291.355 -0.497 20 0 CBADLP CN1CCN(C(=O)[C@H]2C[NH2+]CCO2)Cc2ccc[nH+]c21 ZINC000871019947 584025096 /nfs/dbraw/zinc/02/50/96/584025096.db2.gz HLGMBQHWVLTCPH-GFCCVEGCSA-N 2 2 276.340 -0.152 20 0 CBADLP [NH3+]CC[N@H+](CCO)C[C@H]1CC2(CO1)CCOCC2 ZINC000872143298 584047863 /nfs/dbraw/zinc/04/78/63/584047863.db2.gz KUWBDULZGHMUEL-GFCCVEGCSA-N 2 2 258.362 -0.175 20 0 CBADLP [NH3+]CC[N@@H+](CCO)C[C@H]1CC2(CO1)CCOCC2 ZINC000872143298 584047864 /nfs/dbraw/zinc/04/78/64/584047864.db2.gz KUWBDULZGHMUEL-GFCCVEGCSA-N 2 2 258.362 -0.175 20 0 CBADLP Cn1nnnc1C1CC[NH+](C[C@@H]2C[NH2+]CCO2)CC1 ZINC000872146123 584047913 /nfs/dbraw/zinc/04/79/13/584047913.db2.gz GGVMSWYYKSYQOQ-NSHDSACASA-N 2 2 266.349 -0.622 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC1 ZINC000872154194 584048306 /nfs/dbraw/zinc/04/83/06/584048306.db2.gz RKDRWZFFEMILCT-DZGCQCFKSA-N 3 2 280.416 -0.308 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC1 ZINC000872154194 584048308 /nfs/dbraw/zinc/04/83/08/584048308.db2.gz RKDRWZFFEMILCT-DZGCQCFKSA-N 3 2 280.416 -0.308 20 0 CBADLP CC(C)(O)C[C@H](O)C[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000872214796 584050442 /nfs/dbraw/zinc/05/04/42/584050442.db2.gz FRPJALZNEXSCHN-OLZOCXBDSA-N 2 2 274.405 -0.055 20 0 CBADLP CC(C)(O)C[C@H](O)C[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000872214796 584050443 /nfs/dbraw/zinc/05/04/43/584050443.db2.gz FRPJALZNEXSCHN-OLZOCXBDSA-N 2 2 274.405 -0.055 20 0 CBADLP C[C@H](C(=O)N1CC[NH2+]CCC1(C)C)N1CC[NH2+]CC1=O ZINC000872299678 584054746 /nfs/dbraw/zinc/05/47/46/584054746.db2.gz FVTZQIKKEUDIRX-LLVKDONJSA-N 2 2 282.388 -0.593 20 0 CBADLP C[C@H]([NH2+]C[C@]12COCCN1C(=O)COC2)[C@H]1CCCC[NH2+]1 ZINC000873266847 584069771 /nfs/dbraw/zinc/06/97/71/584069771.db2.gz RINWLKQMUMQAJY-GZBFAFLISA-N 2 2 297.399 -0.266 20 0 CBADLP CC[NH2+]CCCNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000876509004 584130152 /nfs/dbraw/zinc/13/01/52/584130152.db2.gz FAWXRJRDTMUNQM-HYXAFXHYSA-N 2 2 255.362 -0.009 20 0 CBADLP C[C@H](C(=O)N1CCC[C@@H](C[NH3+])C1)N1CC[NH2+]CC1=O ZINC000876513710 584130488 /nfs/dbraw/zinc/13/04/88/584130488.db2.gz OYSJKMLUFVFUDP-MNOVXSKESA-N 2 2 268.361 -0.996 20 0 CBADLP C[C@@H]1C[NH2+]CCN1C(=O)/C=C/C[NH+]1CCOCC1 ZINC000876515173 584130610 /nfs/dbraw/zinc/13/06/10/584130610.db2.gz MEUICUAVPCIEKR-QAVQXKDTSA-N 2 2 253.346 -0.305 20 0 CBADLP [NH3+]C[C@@H]1CCN(C(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000876517798 584130886 /nfs/dbraw/zinc/13/08/86/584130886.db2.gz DEFQEGLBLPWHCI-ISUDXETCSA-N 2 2 253.346 -0.318 20 0 CBADLP [NH3+]C[C@H]1CCN(C(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000876517800 584130918 /nfs/dbraw/zinc/13/09/18/584130918.db2.gz DEFQEGLBLPWHCI-YYRQZUAOSA-N 2 2 253.346 -0.318 20 0 CBADLP CN(C(=O)/C=C/C[NH+]1CCOCC1)[C@H]1CC[NH2+]C1 ZINC000876527530 584131602 /nfs/dbraw/zinc/13/16/02/584131602.db2.gz ADZRIISGOQSRSM-JDGPPOGSSA-N 2 2 253.346 -0.305 20 0 CBADLP C[N@@H+]1CCN(C(=O)[C@@H]2C[C@@H]([NH3+])C2(C)C)[C@H](C[NH3+])C1 ZINC000876542322 584132351 /nfs/dbraw/zinc/13/23/51/584132351.db2.gz NXRUHLOOTKARMA-OUAUKWLOSA-N 3 2 254.378 -0.539 20 0 CBADLP C[N@H+]1CCN(C(=O)[C@@H]2C[C@@H]([NH3+])C2(C)C)[C@H](C[NH3+])C1 ZINC000876542322 584132353 /nfs/dbraw/zinc/13/23/53/584132353.db2.gz NXRUHLOOTKARMA-OUAUKWLOSA-N 3 2 254.378 -0.539 20 0 CBADLP Cn1ncc(C[NH3+])c1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000876710620 584140489 /nfs/dbraw/zinc/14/04/89/584140489.db2.gz MQRKCPLUGRAJDW-UHFFFAOYSA-N 2 2 295.387 -0.281 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876723987 584140915 /nfs/dbraw/zinc/14/09/15/584140915.db2.gz KGHXFJQJACUHGJ-IJLUTSLNSA-N 2 2 273.352 -0.229 20 0 CBADLP C[NH+](C)C[C@H](N)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000876728049 584141321 /nfs/dbraw/zinc/14/13/21/584141321.db2.gz WOULDDDEVOHDCZ-LBPRGKRZSA-N 2 2 279.388 -0.233 20 0 CBADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@@H]2C[C@H]([NH3+])C2(C)C)CC1 ZINC000876774212 584143926 /nfs/dbraw/zinc/14/39/26/584143926.db2.gz OJAGHOBXZSJGCP-QWRGUYRKSA-N 2 2 296.415 -0.232 20 0 CBADLP [NH3+]C[C@@H]1CN(C(=O)/C=C/C[NH+]2CCOCC2)CCO1 ZINC000876807753 584147214 /nfs/dbraw/zinc/14/72/14/584147214.db2.gz JSWIRMZNNLOPJV-YYRQZUAOSA-N 2 2 269.345 -0.939 20 0 CBADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000876811933 584147434 /nfs/dbraw/zinc/14/74/34/584147434.db2.gz ITQLRNNBDZQWKS-XDYXTIEYSA-N 2 2 267.373 -0.011 20 0 CBADLP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000876846533 584149262 /nfs/dbraw/zinc/14/92/62/584149262.db2.gz CUSUXEDNVGZLPC-XCUNLHGCSA-N 2 2 267.373 -0.465 20 0 CBADLP C[NH+](C)C[C@H](N)C(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000876874015 584151805 /nfs/dbraw/zinc/15/18/05/584151805.db2.gz YBIWHQGQZHNNLY-AWEZNQCLSA-N 2 2 291.399 -0.385 20 0 CBADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)[C@@H](N)C[NH+](C)C)C[C@H](C)O1 ZINC000876882292 584152710 /nfs/dbraw/zinc/15/27/10/584152710.db2.gz FIEAJHGLKCOFRF-XQQFMLRXSA-N 2 2 286.420 -0.557 20 0 CBADLP C[C@@H]1C[N@H+](CCN(C)C(=O)[C@@H](N)C[NH+](C)C)C[C@H](C)O1 ZINC000876882292 584152711 /nfs/dbraw/zinc/15/27/11/584152711.db2.gz FIEAJHGLKCOFRF-XQQFMLRXSA-N 2 2 286.420 -0.557 20 0 CBADLP C[NH+](C)C[C@H](N)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000876888944 584153625 /nfs/dbraw/zinc/15/36/25/584153625.db2.gz WPMJPLHXILDGDP-RYUDHWBXSA-N 2 2 277.372 -0.335 20 0 CBADLP C[C@H]1[C@@H]([NH3+])CCN1C(=O)/C=C/C[NH+]1CCOCC1 ZINC000876916503 584155225 /nfs/dbraw/zinc/15/52/25/584155225.db2.gz UHGCBYBWIJGMAU-QVWGBTSJSA-N 2 2 253.346 -0.177 20 0 CBADLP C[C@H](C(=O)NCCCCCC[NH3+])N1CC[NH2+]CC1=O ZINC000876937964 584156806 /nfs/dbraw/zinc/15/68/06/584156806.db2.gz KILQKAUOUBOSKU-LLVKDONJSA-N 2 2 270.377 -0.558 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876960516 584158452 /nfs/dbraw/zinc/15/84/52/584158452.db2.gz FFIUIFRHOUJFRC-QWHCGFSZSA-N 3 2 288.411 -0.066 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876960516 584158454 /nfs/dbraw/zinc/15/84/54/584158454.db2.gz FFIUIFRHOUJFRC-QWHCGFSZSA-N 3 2 288.411 -0.066 20 0 CBADLP [NH3+]CC12CC(C1)CN2C(=O)/C=C\C[NH+]1CCOCC1 ZINC000876968352 584158929 /nfs/dbraw/zinc/15/89/29/584158929.db2.gz GPCHIQCCVLHDQZ-UPHRSURJSA-N 2 2 265.357 -0.176 20 0 CBADLP C[C@]1(NC(=O)/C=C\C[NH+]2CCOCC2)CC[NH2+]C1 ZINC000876980853 584159725 /nfs/dbraw/zinc/15/97/25/584159725.db2.gz NZNHCVMCKXBACB-ZRMMWKCHSA-N 2 2 253.346 -0.257 20 0 CBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000876986685 584159853 /nfs/dbraw/zinc/15/98/53/584159853.db2.gz IYFZWBYQILNKJI-AVGNSLFASA-N 2 2 299.415 -0.489 20 0 CBADLP O=C(/C=C\C[NH+]1CCOCC1)N1CCOC2(C[NH2+]C2)C1 ZINC000876984164 584159859 /nfs/dbraw/zinc/15/98/59/584159859.db2.gz BYDLOGOAJCOIAB-UPHRSURJSA-N 2 2 281.356 -0.924 20 0 CBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000876986688 584159916 /nfs/dbraw/zinc/15/99/16/584159916.db2.gz IYFZWBYQILNKJI-YNEHKIRRSA-N 2 2 299.415 -0.489 20 0 CBADLP COC(=O)C1=CC[C@@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000877002298 584161244 /nfs/dbraw/zinc/16/12/44/584161244.db2.gz RKBQNQPELXKACS-GHMZBOCLSA-N 2 2 269.345 -0.357 20 0 CBADLP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000877034424 584162690 /nfs/dbraw/zinc/16/26/90/584162690.db2.gz HSQPQDASRMTWDI-DXELUQJMSA-N 2 2 267.373 -0.155 20 0 CBADLP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000877034424 584162691 /nfs/dbraw/zinc/16/26/91/584162691.db2.gz HSQPQDASRMTWDI-DXELUQJMSA-N 2 2 267.373 -0.155 20 0 CBADLP C[NH2+]CCOCCN(C)C(=O)/C=C\C[NH+]1CCOCC1 ZINC000877029737 584162776 /nfs/dbraw/zinc/16/27/76/584162776.db2.gz MDQUFMKWLQYFQA-ARJAWSKDSA-N 2 2 285.388 -0.431 20 0 CBADLP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)CN2CC[NH2+]CC2=O)cc1 ZINC000877133217 584167692 /nfs/dbraw/zinc/16/76/92/584167692.db2.gz CGIGFEFKEHMQAT-QWHCGFSZSA-N 2 2 288.351 -0.129 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCO[C@H](C(F)F)C1 ZINC000877299581 584176994 /nfs/dbraw/zinc/17/69/94/584176994.db2.gz LXNDSTLJMXGDIV-BDAKNGLRSA-N 2 2 265.304 -0.242 20 0 CBADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000877432784 584181209 /nfs/dbraw/zinc/18/12/09/584181209.db2.gz HARTZEDFOJSNTQ-UONOGXRCSA-N 2 2 299.415 -0.018 20 0 CBADLP CC[C@H]1COCC[N@H+]1CCNC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000877432784 584181212 /nfs/dbraw/zinc/18/12/12/584181212.db2.gz HARTZEDFOJSNTQ-UONOGXRCSA-N 2 2 299.415 -0.018 20 0 CBADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)COCC[NH3+] ZINC000877433366 584181317 /nfs/dbraw/zinc/18/13/17/584181317.db2.gz QCARJZOUSGLLGO-LLVKDONJSA-N 2 2 259.350 -0.811 20 0 CBADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)COCC[NH3+] ZINC000877433366 584181319 /nfs/dbraw/zinc/18/13/19/584181319.db2.gz QCARJZOUSGLLGO-LLVKDONJSA-N 2 2 259.350 -0.811 20 0 CBADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000877434158 584181500 /nfs/dbraw/zinc/18/15/00/584181500.db2.gz NZKDVFZFTWNKAG-HIFRSBDPSA-N 2 2 299.415 -0.031 20 0 CBADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000877434158 584181501 /nfs/dbraw/zinc/18/15/01/584181501.db2.gz NZKDVFZFTWNKAG-HIFRSBDPSA-N 2 2 299.415 -0.031 20 0 CBADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000877434165 584181707 /nfs/dbraw/zinc/18/17/07/584181707.db2.gz OGQBXDWHSOIHDJ-NDBYEHHHSA-N 2 2 267.373 -0.321 20 0 CBADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000877434165 584181709 /nfs/dbraw/zinc/18/17/09/584181709.db2.gz OGQBXDWHSOIHDJ-NDBYEHHHSA-N 2 2 267.373 -0.321 20 0 CBADLP CCN(CC)C(=O)C[N@H+](C)CC(=O)NC1CC[NH+](C)CC1 ZINC000877894198 584187715 /nfs/dbraw/zinc/18/77/15/584187715.db2.gz FBCHVBQUISNVKA-UHFFFAOYSA-N 2 2 298.431 -0.003 20 0 CBADLP CCN(CC)C(=O)C[N@@H+](C)CC(=O)NC1CC[NH+](C)CC1 ZINC000877894198 584187717 /nfs/dbraw/zinc/18/77/17/584187717.db2.gz FBCHVBQUISNVKA-UHFFFAOYSA-N 2 2 298.431 -0.003 20 0 CBADLP CC[N@H+](CC(=O)NC)CC(=O)NC1CC[NH+](C)CC1 ZINC000877986152 584189769 /nfs/dbraw/zinc/18/97/69/584189769.db2.gz HCCYEDJYLKASDP-UHFFFAOYSA-N 2 2 270.377 -0.735 20 0 CBADLP CC[N@@H+](CC(=O)NC)CC(=O)NC1CC[NH+](C)CC1 ZINC000877986152 584189771 /nfs/dbraw/zinc/18/97/71/584189771.db2.gz HCCYEDJYLKASDP-UHFFFAOYSA-N 2 2 270.377 -0.735 20 0 CBADLP CC(=O)N1CC[N@H+](CC(=O)NC2CC[NH+](C)CC2)[C@H](C)C1 ZINC000878195423 584196277 /nfs/dbraw/zinc/19/62/77/584196277.db2.gz OCPGSMNSJPNVQP-GFCCVEGCSA-N 2 2 296.415 -0.251 20 0 CBADLP CC(=O)N1CC[N@@H+](CC(=O)NC2CC[NH+](C)CC2)[C@H](C)C1 ZINC000878195423 584196278 /nfs/dbraw/zinc/19/62/78/584196278.db2.gz OCPGSMNSJPNVQP-GFCCVEGCSA-N 2 2 296.415 -0.251 20 0 CBADLP C[C@H](O)C[C@@H]1COCC[N@@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000878436836 584202871 /nfs/dbraw/zinc/20/28/71/584202871.db2.gz FWSLWLFBBRRSPB-GXTWGEPZSA-N 2 2 299.415 -0.332 20 0 CBADLP C[C@H](O)C[C@@H]1COCC[N@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000878436836 584202873 /nfs/dbraw/zinc/20/28/73/584202873.db2.gz FWSLWLFBBRRSPB-GXTWGEPZSA-N 2 2 299.415 -0.332 20 0 CBADLP C[C@H]1CC[N@H+](CC(=O)NC2CC[NH+](C)CC2)[C@@H](C(N)=O)C1 ZINC000878466766 584204327 /nfs/dbraw/zinc/20/43/27/584204327.db2.gz PHYJIDZBBSQTBV-WCQYABFASA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@H]1CC[N@@H+](CC(=O)NC2CC[NH+](C)CC2)[C@@H](C(N)=O)C1 ZINC000878466766 584204328 /nfs/dbraw/zinc/20/43/28/584204328.db2.gz PHYJIDZBBSQTBV-WCQYABFASA-N 2 2 296.415 -0.217 20 0 CBADLP CC[N@H+](CC(=O)NC1CC[NH+](C)CC1)[C@@H]1CCNC1=O ZINC000878556169 584208227 /nfs/dbraw/zinc/20/82/27/584208227.db2.gz NNCABDSEKUVBAT-GFCCVEGCSA-N 2 2 282.388 -0.593 20 0 CBADLP CC[N@@H+](CC(=O)NC1CC[NH+](C)CC1)[C@@H]1CCNC1=O ZINC000878556169 584208229 /nfs/dbraw/zinc/20/82/29/584208229.db2.gz NNCABDSEKUVBAT-GFCCVEGCSA-N 2 2 282.388 -0.593 20 0 CBADLP Cn1nnnc1CC[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000878562479 584208547 /nfs/dbraw/zinc/20/85/47/584208547.db2.gz YPOOWJZDDAMYHD-ZDUSSCGKSA-N 2 2 294.403 -0.203 20 0 CBADLP Cn1nnnc1CC[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000878562479 584208548 /nfs/dbraw/zinc/20/85/48/584208548.db2.gz YPOOWJZDDAMYHD-ZDUSSCGKSA-N 2 2 294.403 -0.203 20 0 CBADLP CC(C)C[NH2+]C1(CO)CC[NH+](CCc2nnnn2C)CC1 ZINC000878670051 584212931 /nfs/dbraw/zinc/21/29/31/584212931.db2.gz GNTCHHKLZGRCEI-UHFFFAOYSA-N 2 2 296.419 -0.175 20 0 CBADLP C[NH+](C)C[C@@]1(O)CCC[N@H+](CCN2CCOC2=O)C1 ZINC000878865608 584219295 /nfs/dbraw/zinc/21/92/95/584219295.db2.gz LLKPUSZIUABGLA-ZDUSSCGKSA-N 2 2 271.361 -0.173 20 0 CBADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CCN2CCOC2=O)C1 ZINC000878865608 584219296 /nfs/dbraw/zinc/21/92/96/584219296.db2.gz LLKPUSZIUABGLA-ZDUSSCGKSA-N 2 2 271.361 -0.173 20 0 CBADLP C[NH+](C)C[C@]1(O)CCC[N@H+](CCN2CCOC2=O)C1 ZINC000878865607 584219367 /nfs/dbraw/zinc/21/93/67/584219367.db2.gz LLKPUSZIUABGLA-CYBMUJFWSA-N 2 2 271.361 -0.173 20 0 CBADLP C[NH+](C)C[C@]1(O)CCC[N@@H+](CCN2CCOC2=O)C1 ZINC000878865607 584219368 /nfs/dbraw/zinc/21/93/68/584219368.db2.gz LLKPUSZIUABGLA-CYBMUJFWSA-N 2 2 271.361 -0.173 20 0 CBADLP Cn1nnnc1CC[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000878968503 584221700 /nfs/dbraw/zinc/22/17/00/584221700.db2.gz RSBPEIRDYFZWRE-UHFFFAOYSA-N 2 2 280.376 -0.451 20 0 CBADLP C[N@H+](C[C@H](O)C[NH+]1CCC([C@@H](F)C(N)=O)CC1)C1CC1 ZINC000879042581 584224632 /nfs/dbraw/zinc/22/46/32/584224632.db2.gz AUHSWXWKKNVLPG-QWHCGFSZSA-N 2 2 287.379 -0.023 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH+]1CCC([C@@H](F)C(N)=O)CC1)C1CC1 ZINC000879042581 584224634 /nfs/dbraw/zinc/22/46/34/584224634.db2.gz AUHSWXWKKNVLPG-QWHCGFSZSA-N 2 2 287.379 -0.023 20 0 CBADLP Cn1nnnc1CC[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000879050588 584225324 /nfs/dbraw/zinc/22/53/24/584225324.db2.gz GUDZITNQVOZQON-UHFFFAOYSA-N 2 2 294.403 -0.061 20 0 CBADLP CCN1C[C@H](C[N@H+](C)CC(=O)N2CC[NH+](C)CC2)OC1=O ZINC000879355641 584232900 /nfs/dbraw/zinc/23/29/00/584232900.db2.gz HWWPWHCITXFNGD-LBPRGKRZSA-N 2 2 298.387 -0.467 20 0 CBADLP CCN1C[C@H](C[N@@H+](C)CC(=O)N2CC[NH+](C)CC2)OC1=O ZINC000879355641 584232903 /nfs/dbraw/zinc/23/29/03/584232903.db2.gz HWWPWHCITXFNGD-LBPRGKRZSA-N 2 2 298.387 -0.467 20 0 CBADLP C[N@H+](CCC1OCCCO1)CC(=O)N1CC[NH+](C)CC1 ZINC000879355130 584232926 /nfs/dbraw/zinc/23/29/26/584232926.db2.gz ZAXQPNANZFAULE-UHFFFAOYSA-N 2 2 285.388 -0.155 20 0 CBADLP C[N@@H+](CCC1OCCCO1)CC(=O)N1CC[NH+](C)CC1 ZINC000879355130 584232929 /nfs/dbraw/zinc/23/29/29/584232929.db2.gz ZAXQPNANZFAULE-UHFFFAOYSA-N 2 2 285.388 -0.155 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@]2(CC(C(=O)OC)=NO2)C1 ZINC000879490810 584237450 /nfs/dbraw/zinc/23/74/50/584237450.db2.gz XDCDKELDIRFQQT-SMDDNHRTSA-N 2 2 299.371 -0.307 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@]2(CC(C(=O)OC)=NO2)C1 ZINC000879490810 584237451 /nfs/dbraw/zinc/23/74/51/584237451.db2.gz XDCDKELDIRFQQT-SMDDNHRTSA-N 2 2 299.371 -0.307 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@]2(CC(C(=O)OC)=NO2)C1 ZINC000879490810 584237454 /nfs/dbraw/zinc/23/74/54/584237454.db2.gz XDCDKELDIRFQQT-SMDDNHRTSA-N 2 2 299.371 -0.307 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@]2(CC(C(=O)OC)=NO2)C1 ZINC000879490810 584237455 /nfs/dbraw/zinc/23/74/55/584237455.db2.gz XDCDKELDIRFQQT-SMDDNHRTSA-N 2 2 299.371 -0.307 20 0 CBADLP COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H](C)[NH+](C)C ZINC000879549233 584240436 /nfs/dbraw/zinc/24/04/36/584240436.db2.gz PMSMLVUWLFKPLG-ZJUUUORDSA-N 2 2 268.317 -0.509 20 0 CBADLP C[C@@H]1NC(=O)N(CC[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)C1=O ZINC000879580120 584241731 /nfs/dbraw/zinc/24/17/31/584241731.db2.gz RRKZFOZGUSHZGW-QJPTWQEYSA-N 2 2 280.372 -0.047 20 0 CBADLP C[C@@H]1NC(=O)N(CC[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)C1=O ZINC000879580120 584241732 /nfs/dbraw/zinc/24/17/32/584241732.db2.gz RRKZFOZGUSHZGW-QJPTWQEYSA-N 2 2 280.372 -0.047 20 0 CBADLP C[C@@H]1NC(=O)N(CC[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)C1=O ZINC000879580120 584241734 /nfs/dbraw/zinc/24/17/34/584241734.db2.gz RRKZFOZGUSHZGW-QJPTWQEYSA-N 2 2 280.372 -0.047 20 0 CBADLP C[C@@H]1NC(=O)N(CC[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)C1=O ZINC000879580120 584241735 /nfs/dbraw/zinc/24/17/35/584241735.db2.gz RRKZFOZGUSHZGW-QJPTWQEYSA-N 2 2 280.372 -0.047 20 0 CBADLP C[C@@H]1NC(=O)N(CC[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)C1=O ZINC000879580121 584241775 /nfs/dbraw/zinc/24/17/75/584241775.db2.gz RRKZFOZGUSHZGW-SDDRHHMPSA-N 2 2 280.372 -0.047 20 0 CBADLP C[C@@H]1NC(=O)N(CC[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)C1=O ZINC000879580121 584241776 /nfs/dbraw/zinc/24/17/76/584241776.db2.gz RRKZFOZGUSHZGW-SDDRHHMPSA-N 2 2 280.372 -0.047 20 0 CBADLP C[C@@H]1NC(=O)N(CC[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)C1=O ZINC000879580121 584241778 /nfs/dbraw/zinc/24/17/78/584241778.db2.gz RRKZFOZGUSHZGW-SDDRHHMPSA-N 2 2 280.372 -0.047 20 0 CBADLP C[C@@H]1NC(=O)N(CC[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)C1=O ZINC000879580121 584241779 /nfs/dbraw/zinc/24/17/79/584241779.db2.gz RRKZFOZGUSHZGW-SDDRHHMPSA-N 2 2 280.372 -0.047 20 0 CBADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@H]2OCCNC(=O)[C@H]21 ZINC000879723935 584247954 /nfs/dbraw/zinc/24/79/54/584247954.db2.gz CRCLRAIIBOKLMS-OLZOCXBDSA-N 2 2 278.356 -0.058 20 0 CBADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@H]2OCCNC(=O)[C@H]21 ZINC000879723935 584247956 /nfs/dbraw/zinc/24/79/56/584247956.db2.gz CRCLRAIIBOKLMS-OLZOCXBDSA-N 2 2 278.356 -0.058 20 0 CBADLP C[N@@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCCS(N)(=O)=O ZINC000880130677 584263496 /nfs/dbraw/zinc/26/34/96/584263496.db2.gz FTUIXDLPROBTDE-QWRGUYRKSA-N 2 2 261.391 -0.167 20 0 CBADLP C[N@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCCS(N)(=O)=O ZINC000880130677 584263498 /nfs/dbraw/zinc/26/34/98/584263498.db2.gz FTUIXDLPROBTDE-QWRGUYRKSA-N 2 2 261.391 -0.167 20 0 CBADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@@H+]2CCCS(N)(=O)=O ZINC000880130677 584263499 /nfs/dbraw/zinc/26/34/99/584263499.db2.gz FTUIXDLPROBTDE-QWRGUYRKSA-N 2 2 261.391 -0.167 20 0 CBADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@H+]2CCCS(N)(=O)=O ZINC000880130677 584263501 /nfs/dbraw/zinc/26/35/01/584263501.db2.gz FTUIXDLPROBTDE-QWRGUYRKSA-N 2 2 261.391 -0.167 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@H]2CN(C(C)=O)C[C@H]2C1 ZINC000880312667 584269001 /nfs/dbraw/zinc/26/90/01/584269001.db2.gz UGXHVICLNKBSIC-ZNMIVQPWSA-N 2 2 299.415 -0.664 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H]2CN(C(C)=O)C[C@H]2C1 ZINC000880312667 584269002 /nfs/dbraw/zinc/26/90/02/584269002.db2.gz UGXHVICLNKBSIC-ZNMIVQPWSA-N 2 2 299.415 -0.664 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@H]2CN(C(C)=O)C[C@H]2C1 ZINC000880312667 584269005 /nfs/dbraw/zinc/26/90/05/584269005.db2.gz UGXHVICLNKBSIC-ZNMIVQPWSA-N 2 2 299.415 -0.664 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H]2CN(C(C)=O)C[C@H]2C1 ZINC000880312667 584269007 /nfs/dbraw/zinc/26/90/07/584269007.db2.gz UGXHVICLNKBSIC-ZNMIVQPWSA-N 2 2 299.415 -0.664 20 0 CBADLP CC(C)[N@H+](C)C[C@H](O)C[NH+](CC(N)=O)C1CCOCC1 ZINC000880395068 584271058 /nfs/dbraw/zinc/27/10/58/584271058.db2.gz FKJNUEGVOKOCLO-ZDUSSCGKSA-N 2 2 287.404 -0.346 20 0 CBADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+](CC(N)=O)C1CCOCC1 ZINC000880395068 584271060 /nfs/dbraw/zinc/27/10/60/584271060.db2.gz FKJNUEGVOKOCLO-ZDUSSCGKSA-N 2 2 287.404 -0.346 20 0 CBADLP CC(C)[NH+](C)C[C@H](O)C[N@H+](CC(N)=O)C1CCOCC1 ZINC000880395068 584271062 /nfs/dbraw/zinc/27/10/62/584271062.db2.gz FKJNUEGVOKOCLO-ZDUSSCGKSA-N 2 2 287.404 -0.346 20 0 CBADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+](CC(N)=O)C1CCOCC1 ZINC000880395068 584271063 /nfs/dbraw/zinc/27/10/63/584271063.db2.gz FKJNUEGVOKOCLO-ZDUSSCGKSA-N 2 2 287.404 -0.346 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C[C@H]1CCNC1=O ZINC000880671483 584285887 /nfs/dbraw/zinc/28/58/87/584285887.db2.gz SXNOYYQBWKTQFE-GFCCVEGCSA-N 2 2 284.404 -0.488 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C[C@H]1CCNC1=O ZINC000880671483 584285888 /nfs/dbraw/zinc/28/58/88/584285888.db2.gz SXNOYYQBWKTQFE-GFCCVEGCSA-N 2 2 284.404 -0.488 20 0 CBADLP COC[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)[C@H]1CCCOC1 ZINC000883180312 584338864 /nfs/dbraw/zinc/33/88/64/584338864.db2.gz ABGDDWNNSCJTPC-KBPBESRZSA-N 2 2 299.415 -0.208 20 0 CBADLP C[C@H]([NH2+]CC[N@H+](C)CCOCCO)[C@@H]1CCOC1 ZINC000883349717 584340038 /nfs/dbraw/zinc/34/00/38/584340038.db2.gz KQONPOVTYKIWLT-QWHCGFSZSA-N 2 2 260.378 -0.058 20 0 CBADLP C[C@H]([NH2+]CC[N@@H+](C)CCOCCO)[C@@H]1CCOC1 ZINC000883349717 584340041 /nfs/dbraw/zinc/34/00/41/584340041.db2.gz KQONPOVTYKIWLT-QWHCGFSZSA-N 2 2 260.378 -0.058 20 0 CBADLP C[C@@H]1C[C@H]([NH2+]CCN(C)CCOCCO)CC[N@@H+]1C ZINC000883349572 584340315 /nfs/dbraw/zinc/34/03/15/584340315.db2.gz GCUYZOORXKLSRS-ZIAGYGMSSA-N 2 2 273.421 -0.001 20 0 CBADLP C[C@@H]1C[C@H]([NH2+]CCN(C)CCOCCO)CC[N@H+]1C ZINC000883349572 584340317 /nfs/dbraw/zinc/34/03/17/584340317.db2.gz GCUYZOORXKLSRS-ZIAGYGMSSA-N 2 2 273.421 -0.001 20 0 CBADLP Cn1ccn2c(C[NH2+][C@@H]3C[C@@H]([NH3+])C3(C)C)nnc2c1=O ZINC000883441029 584342820 /nfs/dbraw/zinc/34/28/20/584342820.db2.gz FYSSWGXASKYWQX-RKDXNWHRSA-N 2 2 276.344 -0.357 20 0 CBADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC=C[C@@H]2CO)CC1 ZINC000883560392 584344732 /nfs/dbraw/zinc/34/47/32/584344732.db2.gz AVHMTWREYUQMCA-CQSZACIVSA-N 2 2 296.415 -0.045 20 0 CBADLP C[N@@H+]1CCN(C(=O)[C@@H]2C[NH2+]CC2(C)C)[C@@H](C[NH3+])C1 ZINC000884042057 584357410 /nfs/dbraw/zinc/35/74/10/584357410.db2.gz PACLUCAXMMAICB-QWRGUYRKSA-N 3 2 254.378 -0.667 20 0 CBADLP C[N@H+]1CCN(C(=O)[C@@H]2C[NH2+]CC2(C)C)[C@@H](C[NH3+])C1 ZINC000884042057 584357412 /nfs/dbraw/zinc/35/74/12/584357412.db2.gz PACLUCAXMMAICB-QWRGUYRKSA-N 3 2 254.378 -0.667 20 0 CBADLP COCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000884196975 584365641 /nfs/dbraw/zinc/36/56/41/584365641.db2.gz GUZLFTHOVVCVRR-STQMWFEESA-N 2 2 285.388 -0.327 20 0 CBADLP COCC[C@@H]([NH3+])C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000884196972 584365701 /nfs/dbraw/zinc/36/57/01/584365701.db2.gz GUZLFTHOVVCVRR-CHWSQXEVSA-N 2 2 285.388 -0.327 20 0 CBADLP COCC[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000884206270 584366836 /nfs/dbraw/zinc/36/68/36/584366836.db2.gz QMAZZKRBIJKLBF-WDEREUQCSA-N 2 2 259.350 -0.813 20 0 CBADLP COCC[C@@H]([NH3+])C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000884206270 584366837 /nfs/dbraw/zinc/36/68/37/584366837.db2.gz QMAZZKRBIJKLBF-WDEREUQCSA-N 2 2 259.350 -0.813 20 0 CBADLP COCC[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000884212228 584367578 /nfs/dbraw/zinc/36/75/78/584367578.db2.gz ZKSPBKMBOIAQAH-LLVKDONJSA-N 2 2 273.377 -0.423 20 0 CBADLP COCC[C@@H]([NH3+])C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000884212228 584367579 /nfs/dbraw/zinc/36/75/79/584367579.db2.gz ZKSPBKMBOIAQAH-LLVKDONJSA-N 2 2 273.377 -0.423 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000884360103 584376143 /nfs/dbraw/zinc/37/61/43/584376143.db2.gz VAAGADMXVXBWSL-GHMZBOCLSA-N 2 2 284.404 -0.315 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000884360103 584376145 /nfs/dbraw/zinc/37/61/45/584376145.db2.gz VAAGADMXVXBWSL-GHMZBOCLSA-N 2 2 284.404 -0.315 20 0 CBADLP C[C@H](C(=O)N[C@H]1C[C@H]([NH3+])C1(C)C)N1CC[NH2+]CC1=O ZINC000884364775 584377051 /nfs/dbraw/zinc/37/70/51/584377051.db2.gz YLSOGFYZZULIMS-UTLUCORTSA-N 2 2 268.361 -0.951 20 0 CBADLP COCC[C@H]([NH3+])C(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000884413185 584380191 /nfs/dbraw/zinc/38/01/91/584380191.db2.gz LVZRWOGQRDNXLB-AWEZNQCLSA-N 2 2 299.415 -0.079 20 0 CBADLP O=C(NCCCn1cc[nH+]c1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884651549 584392992 /nfs/dbraw/zinc/39/29/92/584392992.db2.gz RHJCNAXUPIUJMP-TXEJJXNPSA-N 2 2 291.355 -0.648 20 0 CBADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000884676550 584394958 /nfs/dbraw/zinc/39/49/58/584394958.db2.gz PWGVOMKLQSYSCB-UHFFFAOYSA-N 2 2 279.344 -0.374 20 0 CBADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000884682018 584395576 /nfs/dbraw/zinc/39/55/76/584395576.db2.gz MYYKERGURBYULS-JTQLQIEISA-N 2 2 279.344 -0.374 20 0 CBADLP C[C@@H]([NH3+])CNC(=O)C(=O)N1CCN(C)c2[nH+]cccc2C1 ZINC000884684919 584396086 /nfs/dbraw/zinc/39/60/86/584396086.db2.gz SQSWLKCPWJMBGD-SNVBAGLBSA-N 2 2 291.355 -0.677 20 0 CBADLP C[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(C)c2[nH+]cccc2C1 ZINC000884705475 584399504 /nfs/dbraw/zinc/39/95/04/584399504.db2.gz WATOKLRSUPFDNK-JTQLQIEISA-N 2 2 291.355 -0.677 20 0 CBADLP CC[NH2+][C@H](C)CNC(=O)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000884722943 584400785 /nfs/dbraw/zinc/40/07/85/584400785.db2.gz QWMIWEBAEBBWPG-SECBINFHSA-N 2 2 267.333 -0.518 20 0 CBADLP CN(C)c1[nH+]cc(C[NH2+]CCN2CCNC2=O)n1C ZINC000886323669 584437989 /nfs/dbraw/zinc/43/79/89/584437989.db2.gz DTMTTYBUFLYNQP-UHFFFAOYSA-N 2 2 266.349 -0.399 20 0 CBADLP COC(=O)[C@H]1CC[C@@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)C1 ZINC000886516445 584441808 /nfs/dbraw/zinc/44/18/08/584441808.db2.gz ICWBUISIARKCFC-NWDGAFQWSA-N 2 2 283.372 -0.308 20 0 CBADLP COC(=O)[C@@H]1CC[C@@H]([NH2+]CC[N@@H+]2CC[C@H](O)C2)C1 ZINC000886644823 584444152 /nfs/dbraw/zinc/44/41/52/584444152.db2.gz LIBIWLMQMPJBNY-UTUOFQBUSA-N 2 2 256.346 -0.016 20 0 CBADLP COC(=O)[C@@H]1CC[C@@H]([NH2+]CC[N@H+]2CC[C@H](O)C2)C1 ZINC000886644823 584444154 /nfs/dbraw/zinc/44/41/54/584444154.db2.gz LIBIWLMQMPJBNY-UTUOFQBUSA-N 2 2 256.346 -0.016 20 0 CBADLP CC(C)([NH3+])CCNC(=O)NCC[NH+]1CCOCC1 ZINC000887279072 584465677 /nfs/dbraw/zinc/46/56/77/584465677.db2.gz XGYIAEKTICPRHK-UHFFFAOYSA-N 2 2 258.366 -0.255 20 0 CBADLP CCN(C(=O)NCC[NH+]1CCOCC1)[C@H]1CC[NH2+]C1 ZINC000887278492 584465817 /nfs/dbraw/zinc/46/58/17/584465817.db2.gz FELCRIUDFISPTD-LBPRGKRZSA-N 2 2 270.377 -0.288 20 0 CBADLP Cc1c[nH+]ccc1NC(=O)NCC[N@H+](C)CCO ZINC000887933648 584477699 /nfs/dbraw/zinc/47/76/99/584477699.db2.gz AFUFCVHPXJVAQW-UHFFFAOYSA-N 2 2 252.318 -0.142 20 0 CBADLP Cc1c[nH+]ccc1NC(=O)NCC[N@@H+](C)CCO ZINC000887933648 584477700 /nfs/dbraw/zinc/47/77/00/584477700.db2.gz AFUFCVHPXJVAQW-UHFFFAOYSA-N 2 2 252.318 -0.142 20 0 CBADLP CN1CCN(C(=O)[C@@]2(C)C[C@H](O)C[NH+]2C)CC[N@H+](C)CC1 ZINC000888979451 584510014 /nfs/dbraw/zinc/51/00/14/584510014.db2.gz TZUVELWGWBYFFJ-DZGCQCFKSA-N 2 2 298.431 -0.853 20 0 CBADLP CN1CCN(C(=O)[C@@]2(C)C[C@H](O)C[NH+]2C)CC[N@@H+](C)CC1 ZINC000888979451 584510016 /nfs/dbraw/zinc/51/00/16/584510016.db2.gz TZUVELWGWBYFFJ-DZGCQCFKSA-N 2 2 298.431 -0.853 20 0 CBADLP CN1CCN(C(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)CC[NH+](C)CC1 ZINC000888979451 584510018 /nfs/dbraw/zinc/51/00/18/584510018.db2.gz TZUVELWGWBYFFJ-DZGCQCFKSA-N 2 2 298.431 -0.853 20 0 CBADLP CN1CCN(C(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)CC[NH+](C)CC1 ZINC000888979451 584510020 /nfs/dbraw/zinc/51/00/20/584510020.db2.gz TZUVELWGWBYFFJ-DZGCQCFKSA-N 2 2 298.431 -0.853 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC000888985057 584511556 /nfs/dbraw/zinc/51/15/56/584511556.db2.gz JMBCCXXAFJIKJW-UHFFFAOYSA-N 2 2 279.388 -0.034 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC000888985057 584511557 /nfs/dbraw/zinc/51/15/57/584511557.db2.gz JMBCCXXAFJIKJW-UHFFFAOYSA-N 2 2 279.388 -0.034 20 0 CBADLP Cn1c[nH+]c(CNC(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)c1 ZINC000890104271 584543358 /nfs/dbraw/zinc/54/33/58/584543358.db2.gz WVGQKCGSEIPPGG-JQWIXIFHSA-N 2 2 252.318 -0.509 20 0 CBADLP Cn1c[nH+]c(CNC(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)c1 ZINC000890104271 584543359 /nfs/dbraw/zinc/54/33/59/584543359.db2.gz WVGQKCGSEIPPGG-JQWIXIFHSA-N 2 2 252.318 -0.509 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)NCc2cn(C)c[nH+]2)C1 ZINC000890109989 584543785 /nfs/dbraw/zinc/54/37/85/584543785.db2.gz IPAMWSJIQKZYSQ-NSHDSACASA-N 2 2 252.318 -0.243 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)NCc2cn(C)c[nH+]2)C1 ZINC000890109989 584543788 /nfs/dbraw/zinc/54/37/88/584543788.db2.gz IPAMWSJIQKZYSQ-NSHDSACASA-N 2 2 252.318 -0.243 20 0 CBADLP Cn1c[nH+]c(CNC(=O)[C@H]2C[N@@H+]3CCN2CCC3)c1 ZINC000890109970 584543855 /nfs/dbraw/zinc/54/38/55/584543855.db2.gz UPVULKIHSQXTTP-GFCCVEGCSA-N 2 2 263.345 -0.574 20 0 CBADLP Cn1c[nH+]c(CNC(=O)[C@H]2C[N@H+]3CCN2CCC3)c1 ZINC000890109970 584543858 /nfs/dbraw/zinc/54/38/58/584543858.db2.gz UPVULKIHSQXTTP-GFCCVEGCSA-N 2 2 263.345 -0.574 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891349883 584579668 /nfs/dbraw/zinc/57/96/68/584579668.db2.gz LHPQFQVKKDFZSR-WOPDTQHZSA-N 2 2 268.361 -0.537 20 0 CBADLP CN1CC[N@H+](C)[C@H](CNC(=O)N[C@@]23CCC[C@@H]2[NH2+]CC3)C1 ZINC000891539446 584584923 /nfs/dbraw/zinc/58/49/23/584584923.db2.gz ARPQQDPCBZYARR-VNHYZAJKSA-N 2 2 295.431 -0.184 20 0 CBADLP CN1CC[N@@H+](C)[C@H](CNC(=O)N[C@@]23CCC[C@@H]2[NH2+]CC3)C1 ZINC000891539446 584584925 /nfs/dbraw/zinc/58/49/25/584584925.db2.gz ARPQQDPCBZYARR-VNHYZAJKSA-N 2 2 295.431 -0.184 20 0 CBADLP O=C(C[NH+]1CCN(c2cc[nH+]cc2CO)CC1)NC1CC1 ZINC000891583251 584587320 /nfs/dbraw/zinc/58/73/20/584587320.db2.gz BTJOIAOEBKKZCM-UHFFFAOYSA-N 2 2 290.367 -0.026 20 0 CBADLP C[NH+](C)CC(=O)N1CCN(c2nccn3c[nH+]cc23)CC1 ZINC000891764462 584592005 /nfs/dbraw/zinc/59/20/05/584592005.db2.gz KNMJQAJSYQFGRN-UHFFFAOYSA-N 2 2 288.355 -0.061 20 0 CBADLP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000891858176 584593236 /nfs/dbraw/zinc/59/32/36/584593236.db2.gz LJLGOEKOUURSCA-VXGBXAGGSA-N 2 2 282.388 -0.018 20 0 CBADLP C[C@@H](C[NH3+])NC(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000892088131 584603911 /nfs/dbraw/zinc/60/39/11/584603911.db2.gz HTEHUZMFUHHVSS-LBPRGKRZSA-N 2 2 292.387 -0.307 20 0 CBADLP Cc1cc(N)nc(N2CC[NH+](CCCO)CC2)[nH+]1 ZINC000892164636 584606663 /nfs/dbraw/zinc/60/66/63/584606663.db2.gz GYXPLKULLQZDKK-UHFFFAOYSA-N 2 2 251.334 -0.128 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)NCCC(C)(C)[NH3+] ZINC000892287292 584612406 /nfs/dbraw/zinc/61/24/06/584612406.db2.gz JMXWMUJAQQHWNY-JTQLQIEISA-N 2 2 258.366 -0.256 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)NCCC(C)(C)[NH3+] ZINC000892287292 584612407 /nfs/dbraw/zinc/61/24/07/584612407.db2.gz JMXWMUJAQQHWNY-JTQLQIEISA-N 2 2 258.366 -0.256 20 0 CBADLP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000892286757 584612519 /nfs/dbraw/zinc/61/25/19/584612519.db2.gz BDKYBUCZTXPVFP-OUAUKWLOSA-N 2 2 256.350 -0.552 20 0 CBADLP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000892286757 584612522 /nfs/dbraw/zinc/61/25/22/584612522.db2.gz BDKYBUCZTXPVFP-OUAUKWLOSA-N 2 2 256.350 -0.552 20 0 CBADLP CCN(C(=O)NC[C@@H]1COCC[N@@H+]1C)[C@@H]1CC[NH2+]C1 ZINC000892287597 584612615 /nfs/dbraw/zinc/61/26/15/584612615.db2.gz QIBICOIDVQHKPS-VXGBXAGGSA-N 2 2 270.377 -0.290 20 0 CBADLP CCN(C(=O)NC[C@@H]1COCC[N@H+]1C)[C@@H]1CC[NH2+]C1 ZINC000892287597 584612618 /nfs/dbraw/zinc/61/26/18/584612618.db2.gz QIBICOIDVQHKPS-VXGBXAGGSA-N 2 2 270.377 -0.290 20 0 CBADLP [NH3+][C@H]1C[C@@H](CNC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000892547984 584618094 /nfs/dbraw/zinc/61/80/94/584618094.db2.gz IAKQRQPKFSUSMP-XQQFMLRXSA-N 2 2 282.388 -0.160 20 0 CBADLP [NH3+][C@H]1C[C@H](CNC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000892566021 584619027 /nfs/dbraw/zinc/61/90/27/584619027.db2.gz IAKQRQPKFSUSMP-JHJVBQTASA-N 2 2 282.388 -0.160 20 0 CBADLP C[N@@H+]1CCN(C(=O)NCCC[C@@H]2CCOC2=O)[C@H](C[NH3+])C1 ZINC000892707561 584623217 /nfs/dbraw/zinc/62/32/17/584623217.db2.gz HBEGDGZBCVKCMR-VXGBXAGGSA-N 2 2 298.387 -0.386 20 0 CBADLP C[N@H+]1CCN(C(=O)NCCC[C@@H]2CCOC2=O)[C@H](C[NH3+])C1 ZINC000892707561 584623221 /nfs/dbraw/zinc/62/32/21/584623221.db2.gz HBEGDGZBCVKCMR-VXGBXAGGSA-N 2 2 298.387 -0.386 20 0 CBADLP COCCOC[C@@H](C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000892714467 584623738 /nfs/dbraw/zinc/62/37/38/584623738.db2.gz PAHNOYIEDVGCLW-GFCCVEGCSA-N 2 2 273.377 -0.599 20 0 CBADLP CO[C@H]1C[C@H](CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])C1 ZINC000892834280 584627052 /nfs/dbraw/zinc/62/70/52/584627052.db2.gz DCMANMQISXFGAV-SRVKXCTJSA-N 2 2 270.377 -0.304 20 0 CBADLP CO[C@H]1C[C@H](CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])C1 ZINC000892834280 584627053 /nfs/dbraw/zinc/62/70/53/584627053.db2.gz DCMANMQISXFGAV-SRVKXCTJSA-N 2 2 270.377 -0.304 20 0 CBADLP COC(=O)[C@@H]1[C@@H](C[NH2+]C[C@@H]2C[N@H+](C)CCN2C)C1(F)F ZINC000894255771 584654379 /nfs/dbraw/zinc/65/43/79/584654379.db2.gz INZRNJJPLTVVOP-MXWKQRLJSA-N 2 2 291.342 -0.124 20 0 CBADLP COC(=O)[C@@H]1[C@@H](C[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)C1(F)F ZINC000894255771 584654384 /nfs/dbraw/zinc/65/43/84/584654384.db2.gz INZRNJJPLTVVOP-MXWKQRLJSA-N 2 2 291.342 -0.124 20 0 CBADLP C[C@H]1C(=O)N(CC[NH+](C)C)CN1Cc1c[nH+]c[nH]1 ZINC000895086920 584671087 /nfs/dbraw/zinc/67/10/87/584671087.db2.gz XPKBMXKQDVMBMB-JTQLQIEISA-N 2 2 251.334 -0.039 20 0 CBADLP C[C@H]1C(=O)N(CC[NH+](C)C)CN1Cc1c[nH]c[nH+]1 ZINC000895086920 584671089 /nfs/dbraw/zinc/67/10/89/584671089.db2.gz XPKBMXKQDVMBMB-JTQLQIEISA-N 2 2 251.334 -0.039 20 0 CBADLP O=C1COC[C@@]2(C[NH2+]Cc3c[nH+]c[nH]3)COCCN12 ZINC000895457037 584679485 /nfs/dbraw/zinc/67/94/85/584679485.db2.gz CRFFBYHSRSXRRW-GFCCVEGCSA-N 2 2 266.301 -0.873 20 0 CBADLP C[N@H+](CC[NH2+]CC1CC[NH+](C)CC1)CCOCCO ZINC000896024282 584691258 /nfs/dbraw/zinc/69/12/58/584691258.db2.gz WRWBCVNQAVHKKP-UHFFFAOYSA-N 3 2 273.421 -0.142 20 0 CBADLP C[N@@H+](CC[NH2+]CC1CC[NH+](C)CC1)CCOCCO ZINC000896024282 584691261 /nfs/dbraw/zinc/69/12/61/584691261.db2.gz WRWBCVNQAVHKKP-UHFFFAOYSA-N 3 2 273.421 -0.142 20 0 CBADLP O=C(NCc1c[nH+]c[nH]1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000896498423 584700030 /nfs/dbraw/zinc/70/00/30/584700030.db2.gz XIIPOUUEUVXWRE-LLVKDONJSA-N 2 2 250.302 -0.253 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)[C@@H]2C[NH+](C)CCN2C)C1 ZINC000896554470 584702403 /nfs/dbraw/zinc/70/24/03/584702403.db2.gz GJPAJOVGSAAWFC-IHRRRGAJSA-N 2 2 298.431 -0.542 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C)[C@@H]2C[NH+](C)CCN2C)C1 ZINC000896554470 584702405 /nfs/dbraw/zinc/70/24/05/584702405.db2.gz GJPAJOVGSAAWFC-IHRRRGAJSA-N 2 2 298.431 -0.542 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCN2C)C1 ZINC000896554470 584702408 /nfs/dbraw/zinc/70/24/08/584702408.db2.gz GJPAJOVGSAAWFC-IHRRRGAJSA-N 2 2 298.431 -0.542 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCN2C)C1 ZINC000896554470 584702410 /nfs/dbraw/zinc/70/24/10/584702410.db2.gz GJPAJOVGSAAWFC-IHRRRGAJSA-N 2 2 298.431 -0.542 20 0 CBADLP CC(C)(C)[N@@H+]1CC[C@H]1C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000897146452 584709066 /nfs/dbraw/zinc/70/90/66/584709066.db2.gz SWPUELPKVFFIDF-OLZOCXBDSA-N 2 2 280.416 -0.025 20 0 CBADLP CC(C)(C)[N@H+]1CC[C@H]1C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000897146452 584709067 /nfs/dbraw/zinc/70/90/67/584709067.db2.gz SWPUELPKVFFIDF-OLZOCXBDSA-N 2 2 280.416 -0.025 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000897146303 584709091 /nfs/dbraw/zinc/70/90/91/584709091.db2.gz QBGZATKDBVOCQE-RYUDHWBXSA-N 2 2 252.362 -0.803 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000897146303 584709092 /nfs/dbraw/zinc/70/90/92/584709092.db2.gz QBGZATKDBVOCQE-RYUDHWBXSA-N 2 2 252.362 -0.803 20 0 CBADLP C[N@@H+]1CCN(C(=O)C(=O)NCCn2cc[nH+]c2)CC1(C)C ZINC000897349821 584713593 /nfs/dbraw/zinc/71/35/93/584713593.db2.gz UYQIMBYZAJSGDH-UHFFFAOYSA-N 2 2 293.371 -0.448 20 0 CBADLP C[N@H+]1CCN(C(=O)C(=O)NCCn2cc[nH+]c2)CC1(C)C ZINC000897349821 584713595 /nfs/dbraw/zinc/71/35/95/584713595.db2.gz UYQIMBYZAJSGDH-UHFFFAOYSA-N 2 2 293.371 -0.448 20 0 CBADLP COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC000897444137 584716538 /nfs/dbraw/zinc/71/65/38/584716538.db2.gz VWQCSHSJLWJVRP-GHMZBOCLSA-N 2 2 280.328 -0.365 20 0 CBADLP COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CCC[N@H+]1C ZINC000897444137 584716539 /nfs/dbraw/zinc/71/65/39/584716539.db2.gz VWQCSHSJLWJVRP-GHMZBOCLSA-N 2 2 280.328 -0.365 20 0 CBADLP Cn1cc[nH+]c1CNC(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000897659287 584722128 /nfs/dbraw/zinc/72/21/28/584722128.db2.gz BGBDWGNTXVZOCH-UHFFFAOYSA-N 2 2 293.371 -0.411 20 0 CBADLP Cn1cc[nH+]c1CNC(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000897659287 584722130 /nfs/dbraw/zinc/72/21/30/584722130.db2.gz BGBDWGNTXVZOCH-UHFFFAOYSA-N 2 2 293.371 -0.411 20 0 CBADLP CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)NCc1[nH+]ccn1C ZINC000897659936 584722178 /nfs/dbraw/zinc/72/21/78/584722178.db2.gz QWAXADQQGBOVDJ-JTQLQIEISA-N 2 2 279.344 -0.753 20 0 CBADLP CC[N@H+]1CC[C@H]1CNC(=O)C(=O)NCc1[nH+]ccn1C ZINC000897659936 584722179 /nfs/dbraw/zinc/72/21/79/584722179.db2.gz QWAXADQQGBOVDJ-JTQLQIEISA-N 2 2 279.344 -0.753 20 0 CBADLP COCC[N@@H+]1CC[C@H]([NH2+]CCCc2nnnn2C)C1 ZINC000898039721 584729669 /nfs/dbraw/zinc/72/96/69/584729669.db2.gz DGZJLUKYNCKIBV-NSHDSACASA-N 2 2 268.365 -0.547 20 0 CBADLP COCC[N@H+]1CC[C@H]([NH2+]CCCc2nnnn2C)C1 ZINC000898039721 584729671 /nfs/dbraw/zinc/72/96/71/584729671.db2.gz DGZJLUKYNCKIBV-NSHDSACASA-N 2 2 268.365 -0.547 20 0 CBADLP C[C@@H]1C[N@H+](CCO)CCN1C(=O)NCc1cn(C)c[nH+]1 ZINC000898620103 584739739 /nfs/dbraw/zinc/73/97/39/584739739.db2.gz SHJRGFMLVDUUKB-LLVKDONJSA-N 2 2 281.360 -0.372 20 0 CBADLP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NCc1cn(C)c[nH+]1 ZINC000898620103 584739740 /nfs/dbraw/zinc/73/97/40/584739740.db2.gz SHJRGFMLVDUUKB-LLVKDONJSA-N 2 2 281.360 -0.372 20 0 CBADLP CCC[N@H+](C)CC(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC000898883805 584744291 /nfs/dbraw/zinc/74/42/91/584744291.db2.gz LISUKZSYFVIDIM-JTQLQIEISA-N 2 2 254.334 -0.089 20 0 CBADLP CCC[N@@H+](C)CC(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC000898883805 584744292 /nfs/dbraw/zinc/74/42/92/584744292.db2.gz LISUKZSYFVIDIM-JTQLQIEISA-N 2 2 254.334 -0.089 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+]1CCC2(C1)OCCO2 ZINC000899056959 584748802 /nfs/dbraw/zinc/74/88/02/584748802.db2.gz LDNVKUWHIXOEMS-GFCCVEGCSA-N 2 2 283.372 -0.354 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH+]1CCC2(C1)OCCO2 ZINC000899056959 584748805 /nfs/dbraw/zinc/74/88/05/584748805.db2.gz LDNVKUWHIXOEMS-GFCCVEGCSA-N 2 2 283.372 -0.354 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000899056959 584748806 /nfs/dbraw/zinc/74/88/06/584748806.db2.gz LDNVKUWHIXOEMS-GFCCVEGCSA-N 2 2 283.372 -0.354 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000899056959 584748807 /nfs/dbraw/zinc/74/88/07/584748807.db2.gz LDNVKUWHIXOEMS-GFCCVEGCSA-N 2 2 283.372 -0.354 20 0 CBADLP CC[C@H](C(=O)NCC[N@@H+]1CCC2(C1)OCCO2)[NH+](C)C ZINC000899059863 584749289 /nfs/dbraw/zinc/74/92/89/584749289.db2.gz VALCPMUQYPTHLO-GFCCVEGCSA-N 2 2 285.388 -0.108 20 0 CBADLP CC[C@H](C(=O)NCC[N@H+]1CCC2(C1)OCCO2)[NH+](C)C ZINC000899059863 584749290 /nfs/dbraw/zinc/74/92/90/584749290.db2.gz VALCPMUQYPTHLO-GFCCVEGCSA-N 2 2 285.388 -0.108 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000899062047 584749477 /nfs/dbraw/zinc/74/94/77/584749477.db2.gz MVVAJJGBAVOYSM-UHFFFAOYSA-N 2 2 294.355 -0.093 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000899062047 584749479 /nfs/dbraw/zinc/74/94/79/584749479.db2.gz MVVAJJGBAVOYSM-UHFFFAOYSA-N 2 2 294.355 -0.093 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000899062047 584749481 /nfs/dbraw/zinc/74/94/81/584749481.db2.gz MVVAJJGBAVOYSM-UHFFFAOYSA-N 2 2 294.355 -0.093 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000899062047 584749483 /nfs/dbraw/zinc/74/94/83/584749483.db2.gz MVVAJJGBAVOYSM-UHFFFAOYSA-N 2 2 294.355 -0.093 20 0 CBADLP [NH3+][C@@H]1CC[C@H](CNC(=O)NCC[NH+]2CCOCC2)C1 ZINC000899245139 584754230 /nfs/dbraw/zinc/75/42/30/584754230.db2.gz MSKXHJIPNKJZHS-NWDGAFQWSA-N 2 2 270.377 -0.255 20 0 CBADLP C[C@@H]1CN(C(=O)NCC[NH+]2CCOCC2)CC[C@H]1C[NH3+] ZINC000899241882 584754286 /nfs/dbraw/zinc/75/42/86/584754286.db2.gz MREFWNWCLBIHES-OLZOCXBDSA-N 2 2 284.404 -0.055 20 0 CBADLP COC[C@H]1C[NH2+]CCN1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000899248364 584754642 /nfs/dbraw/zinc/75/46/42/584754642.db2.gz OCYPKFZNXWYLJE-NWDGAFQWSA-N 2 2 281.360 -0.099 20 0 CBADLP OCC[NH+](CCO)Cc1cn(C[C@@H]2CCCC[NH2+]C2)nn1 ZINC000899740570 584779395 /nfs/dbraw/zinc/77/93/95/584779395.db2.gz IGZHRENCDINMSK-CYBMUJFWSA-N 2 2 297.403 -0.546 20 0 CBADLP Cc1cn(C(C)(C)C(=O)NCC[N@@H+](C)CCO)c[nH+]1 ZINC000899741337 584779886 /nfs/dbraw/zinc/77/98/86/584779886.db2.gz QVMDKKUGJMMKNJ-UHFFFAOYSA-N 2 2 268.361 -0.033 20 0 CBADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[N@H+](C)CCO ZINC000899741420 584779914 /nfs/dbraw/zinc/77/99/14/584779914.db2.gz XCMBWQZGVJETTB-SNVBAGLBSA-N 2 2 254.334 -0.371 20 0 CBADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[N@@H+](C)CCO ZINC000899741420 584779916 /nfs/dbraw/zinc/77/99/16/584779916.db2.gz XCMBWQZGVJETTB-SNVBAGLBSA-N 2 2 254.334 -0.371 20 0 CBADLP C[NH+](C)CCn1nccc1C(=O)N1CC[NH+](C)CC1 ZINC000899904790 584783591 /nfs/dbraw/zinc/78/35/91/584783591.db2.gz OLSMUGBZVJDWQY-UHFFFAOYSA-N 2 2 265.361 -0.168 20 0 CBADLP C[N@@H+]1CCC[C@](O)(CC(=O)NCC[NH+]2CCOCC2)C1 ZINC000899928063 584785247 /nfs/dbraw/zinc/78/52/47/584785247.db2.gz BFUMRTWCKPMMLJ-AWEZNQCLSA-N 2 2 285.388 -0.718 20 0 CBADLP C[N@H+]1CCC[C@](O)(CC(=O)NCC[NH+]2CCOCC2)C1 ZINC000899928063 584785249 /nfs/dbraw/zinc/78/52/49/584785249.db2.gz BFUMRTWCKPMMLJ-AWEZNQCLSA-N 2 2 285.388 -0.718 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000900214171 584795518 /nfs/dbraw/zinc/79/55/18/584795518.db2.gz BDWCLQAIGNYTHP-NQBHXWOUSA-N 2 2 266.345 -0.157 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC000900214171 584795521 /nfs/dbraw/zinc/79/55/21/584795521.db2.gz BDWCLQAIGNYTHP-NQBHXWOUSA-N 2 2 266.345 -0.157 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC000900214170 584795638 /nfs/dbraw/zinc/79/56/38/584795638.db2.gz BDWCLQAIGNYTHP-MDZLAQPJSA-N 2 2 266.345 -0.157 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC000900214170 584795640 /nfs/dbraw/zinc/79/56/40/584795640.db2.gz BDWCLQAIGNYTHP-MDZLAQPJSA-N 2 2 266.345 -0.157 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@]2(C)C[C@@H](O)C[NH+]2C)CCO1 ZINC000900483983 584806910 /nfs/dbraw/zinc/80/69/10/584806910.db2.gz HXGNCOOMBIKXOQ-YRGRVCCFSA-N 2 2 285.388 -0.722 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@]2(C)C[C@@H](O)C[NH+]2C)CCO1 ZINC000900483983 584806911 /nfs/dbraw/zinc/80/69/11/584806911.db2.gz HXGNCOOMBIKXOQ-YRGRVCCFSA-N 2 2 285.388 -0.722 20 0 CBADLP C[C@@H]1C[NH+](CCNC(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)CCO1 ZINC000900483983 584806912 /nfs/dbraw/zinc/80/69/12/584806912.db2.gz HXGNCOOMBIKXOQ-YRGRVCCFSA-N 2 2 285.388 -0.722 20 0 CBADLP C[C@@H]1C[NH+](CCNC(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)CCO1 ZINC000900483983 584806913 /nfs/dbraw/zinc/80/69/13/584806913.db2.gz HXGNCOOMBIKXOQ-YRGRVCCFSA-N 2 2 285.388 -0.722 20 0 CBADLP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCC[NH+]1CCOCC1(C)C ZINC000900555600 584811476 /nfs/dbraw/zinc/81/14/76/584811476.db2.gz CLLLOACDNVRKEJ-DOMZBBRYSA-N 2 2 299.415 -0.332 20 0 CBADLP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCC[NH+]1CCOCC1(C)C ZINC000900555600 584811479 /nfs/dbraw/zinc/81/14/79/584811479.db2.gz CLLLOACDNVRKEJ-DOMZBBRYSA-N 2 2 299.415 -0.332 20 0 CBADLP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000900555600 584811481 /nfs/dbraw/zinc/81/14/81/584811481.db2.gz CLLLOACDNVRKEJ-DOMZBBRYSA-N 2 2 299.415 -0.332 20 0 CBADLP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000900555600 584811483 /nfs/dbraw/zinc/81/14/83/584811483.db2.gz CLLLOACDNVRKEJ-DOMZBBRYSA-N 2 2 299.415 -0.332 20 0 CBADLP CN1CC[N@H+](C)[C@@H](CNC(=O)C[C@@]2(O)CCC[NH+](C)C2)C1 ZINC000900659379 584819386 /nfs/dbraw/zinc/81/93/86/584819386.db2.gz MTIYHJRGDRZFGF-ZFWWWQNUSA-N 2 2 298.431 -0.805 20 0 CBADLP CN1CC[N@@H+](C)[C@@H](CNC(=O)C[C@@]2(O)CCC[NH+](C)C2)C1 ZINC000900659379 584819387 /nfs/dbraw/zinc/81/93/87/584819387.db2.gz MTIYHJRGDRZFGF-ZFWWWQNUSA-N 2 2 298.431 -0.805 20 0 CBADLP CN1CC[NH+](C)[C@@H](CNC(=O)C[C@@]2(O)CCC[N@H+](C)C2)C1 ZINC000900659379 584819388 /nfs/dbraw/zinc/81/93/88/584819388.db2.gz MTIYHJRGDRZFGF-ZFWWWQNUSA-N 2 2 298.431 -0.805 20 0 CBADLP CN1CC[NH+](C)[C@@H](CNC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)C1 ZINC000900659379 584819389 /nfs/dbraw/zinc/81/93/89/584819389.db2.gz MTIYHJRGDRZFGF-ZFWWWQNUSA-N 2 2 298.431 -0.805 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H]3COC(=O)N3)C2)CC1 ZINC000900674136 584820588 /nfs/dbraw/zinc/82/05/88/584820588.db2.gz JJRWLYRWBZKGKL-ZYHUDNBSSA-N 2 2 296.371 -0.621 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@H]3COC(=O)N3)C2)CC1 ZINC000900674136 584820590 /nfs/dbraw/zinc/82/05/90/584820590.db2.gz JJRWLYRWBZKGKL-ZYHUDNBSSA-N 2 2 296.371 -0.621 20 0 CBADLP CN(C)c1[nH+]cc(CNC(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)n1C ZINC000900679841 584820806 /nfs/dbraw/zinc/82/08/06/584820806.db2.gz AANVJRWPTQUVFH-SMDDNHRTSA-N 2 2 295.387 -0.443 20 0 CBADLP CN(C)c1[nH+]cc(CNC(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)n1C ZINC000900679841 584820807 /nfs/dbraw/zinc/82/08/07/584820807.db2.gz AANVJRWPTQUVFH-SMDDNHRTSA-N 2 2 295.387 -0.443 20 0 CBADLP COCC[NH+]1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000900683530 584821459 /nfs/dbraw/zinc/82/14/59/584821459.db2.gz BGWZHDYKHSMMHA-UHFFFAOYSA-N 2 2 252.318 -0.257 20 0 CBADLP C[C@H](CNC(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C)C[NH+]1CCOCC1 ZINC000900783853 584826745 /nfs/dbraw/zinc/82/67/45/584826745.db2.gz OZVNTPIACUWTCM-VNHYZAJKSA-N 2 2 299.415 -0.474 20 0 CBADLP C[C@H](CNC(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C)C[NH+]1CCOCC1 ZINC000900783853 584826746 /nfs/dbraw/zinc/82/67/46/584826746.db2.gz OZVNTPIACUWTCM-VNHYZAJKSA-N 2 2 299.415 -0.474 20 0 CBADLP C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)[C@]1(C)C[C@H](O)C[NH+]1C ZINC000901288623 584858775 /nfs/dbraw/zinc/85/87/75/584858775.db2.gz WOLZUVLNEQUQJS-NMKXLXIOSA-N 2 2 269.389 -0.008 20 0 CBADLP C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)[C@]1(C)C[C@H](O)C[NH+]1C ZINC000901288623 584858776 /nfs/dbraw/zinc/85/87/76/584858776.db2.gz WOLZUVLNEQUQJS-NMKXLXIOSA-N 2 2 269.389 -0.008 20 0 CBADLP C[C@@H]1C[NH+](C)[C@H](C)CN1C(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC000901288623 584858777 /nfs/dbraw/zinc/85/87/77/584858777.db2.gz WOLZUVLNEQUQJS-NMKXLXIOSA-N 2 2 269.389 -0.008 20 0 CBADLP C[C@@H]1C[NH+](C)[C@H](C)CN1C(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC000901288623 584858778 /nfs/dbraw/zinc/85/87/78/584858778.db2.gz WOLZUVLNEQUQJS-NMKXLXIOSA-N 2 2 269.389 -0.008 20 0 CBADLP C/C(=C\C(=O)NCCOCC[NH+](C)C)C[NH+]1CCOCC1 ZINC000901341141 584861954 /nfs/dbraw/zinc/86/19/54/584861954.db2.gz LINXAMOKNGXOAW-WYMLVPIESA-N 2 2 299.415 -0.041 20 0 CBADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1N[C@H]1C[NH2+]CC1(C)C ZINC000902444888 584876916 /nfs/dbraw/zinc/87/69/16/584876916.db2.gz OWBDJLVPBGHIPU-OUAUKWLOSA-N 2 2 255.362 -0.132 20 0 CBADLP O=C1O[C@@]2(CN1C[N@H+]1CC[C@@H]1CO)C[NH+]1CCC2CC1 ZINC000902633367 584880717 /nfs/dbraw/zinc/88/07/17/584880717.db2.gz UHGXPWSRWFIVLG-TZMCWYRMSA-N 2 2 281.356 -0.073 20 0 CBADLP O=C1O[C@@]2(CN1C[N@@H+]1CC[C@@H]1CO)C[NH+]1CCC2CC1 ZINC000902633367 584880719 /nfs/dbraw/zinc/88/07/19/584880719.db2.gz UHGXPWSRWFIVLG-TZMCWYRMSA-N 2 2 281.356 -0.073 20 0 CBADLP O=C1O[C@]2(CN1C[N@H+]1CC[C@@H]1CO)C[NH+]1CCC2CC1 ZINC000902633364 584880849 /nfs/dbraw/zinc/88/08/49/584880849.db2.gz UHGXPWSRWFIVLG-OCCSQVGLSA-N 2 2 281.356 -0.073 20 0 CBADLP O=C1O[C@]2(CN1C[N@@H+]1CC[C@@H]1CO)C[NH+]1CCC2CC1 ZINC000902633364 584880850 /nfs/dbraw/zinc/88/08/50/584880850.db2.gz UHGXPWSRWFIVLG-OCCSQVGLSA-N 2 2 281.356 -0.073 20 0 CBADLP CN(C(=O)CCO)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000902860923 584885347 /nfs/dbraw/zinc/88/53/47/584885347.db2.gz DRSAFAGNZBLGIY-ZDUSSCGKSA-N 2 2 269.389 -0.004 20 0 CBADLP CN(C(=O)CCO)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000902860923 584885349 /nfs/dbraw/zinc/88/53/49/584885349.db2.gz DRSAFAGNZBLGIY-ZDUSSCGKSA-N 2 2 269.389 -0.004 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCO[C@@]23CCOC3)CC1 ZINC000903083906 584889064 /nfs/dbraw/zinc/88/90/64/584889064.db2.gz QDGFZIUQJKXIBR-TZMCWYRMSA-N 2 2 283.372 -0.702 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCO[C@]23CCOC3)CC1 ZINC000903083905 584889079 /nfs/dbraw/zinc/88/90/79/584889079.db2.gz QDGFZIUQJKXIBR-OCCSQVGLSA-N 2 2 283.372 -0.702 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@@]1(CO)COCCN1C ZINC000903280375 584889867 /nfs/dbraw/zinc/88/98/67/584889867.db2.gz NABSRYOCCVIGTQ-JHJVBQTASA-N 2 2 257.378 -0.781 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@@]1(CO)COCCN1C ZINC000903280375 584889869 /nfs/dbraw/zinc/88/98/69/584889869.db2.gz NABSRYOCCVIGTQ-JHJVBQTASA-N 2 2 257.378 -0.781 20 0 CBADLP CON1CC[C@@H]([N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1=O ZINC000903449600 584890536 /nfs/dbraw/zinc/89/05/36/584890536.db2.gz VLLNZHPMGGRCGE-VXGBXAGGSA-N 2 2 296.371 -0.955 20 0 CBADLP CON1CC[C@@H]([N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1=O ZINC000903449600 584890537 /nfs/dbraw/zinc/89/05/37/584890537.db2.gz VLLNZHPMGGRCGE-VXGBXAGGSA-N 2 2 296.371 -0.955 20 0 CBADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](Cc2cnns2)C1 ZINC000903449529 584890540 /nfs/dbraw/zinc/89/05/40/584890540.db2.gz TWMRWUVVJHKQHM-JTQLQIEISA-N 2 2 281.385 -0.066 20 0 CBADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](Cc2cnns2)C1 ZINC000903449529 584890541 /nfs/dbraw/zinc/89/05/41/584890541.db2.gz TWMRWUVVJHKQHM-JTQLQIEISA-N 2 2 281.385 -0.066 20 0 CBADLP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CC[NH+](C[C@H]2CCC[NH2+]2)CC1 ZINC000903464644 584890758 /nfs/dbraw/zinc/89/07/58/584890758.db2.gz UYXCHLPTIUFYNP-KWCYVHTRSA-N 3 2 294.399 -0.005 20 0 CBADLP O=C(C[NH2+][C@H]1CC[NH2+]C12CCC2)N1CCOCC1 ZINC000903464929 584890918 /nfs/dbraw/zinc/89/09/18/584890918.db2.gz CGAFQTXXFLNATR-NSHDSACASA-N 2 2 253.346 -0.281 20 0 CBADLP COC(=O)CCNC(=O)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903472168 584891017 /nfs/dbraw/zinc/89/10/17/584891017.db2.gz XGKMMQQPQVVQQQ-JTQLQIEISA-N 2 2 269.345 -0.460 20 0 CBADLP COC(=O)CN(C)C(=O)CC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903472031 584891036 /nfs/dbraw/zinc/89/10/36/584891036.db2.gz PRWXFYNQQQEXIX-LLVKDONJSA-N 2 2 283.372 -0.118 20 0 CBADLP COC[C@H](C)NC(=O)NC(=O)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903466561 584891038 /nfs/dbraw/zinc/89/10/38/584891038.db2.gz VXZRWTDUNGIWBH-QWRGUYRKSA-N 2 2 298.387 -0.279 20 0 CBADLP CS(=O)(=O)NCC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000903484650 584891274 /nfs/dbraw/zinc/89/12/74/584891274.db2.gz UNADZSSVYDCHLH-JTQLQIEISA-N 2 2 261.391 -0.200 20 0 CBADLP C[C@@H]1CCN(S(=O)(=O)NCC[NH+]2CCC([NH3+])CC2)C1 ZINC000903565931 584893418 /nfs/dbraw/zinc/89/34/18/584893418.db2.gz VAZBGKXODNKNAJ-LLVKDONJSA-N 2 2 290.433 -0.414 20 0 CBADLP CS(=O)(=O)C[C@@H]1C[N@H+](CC2CC[NH2+]CC2)CCO1 ZINC000903707120 584895267 /nfs/dbraw/zinc/89/52/67/584895267.db2.gz LTSCLPIGWYJMED-LBPRGKRZSA-N 2 2 276.402 -0.269 20 0 CBADLP CS(=O)(=O)C[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)CCO1 ZINC000903707120 584895268 /nfs/dbraw/zinc/89/52/68/584895268.db2.gz LTSCLPIGWYJMED-LBPRGKRZSA-N 2 2 276.402 -0.269 20 0 CBADLP COCC(COC)[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000903746499 584897003 /nfs/dbraw/zinc/89/70/03/584897003.db2.gz ZVHLJJKHQJXIPH-LBPRGKRZSA-N 2 2 285.388 -0.456 20 0 CBADLP COCC(COC)[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000903746499 584897004 /nfs/dbraw/zinc/89/70/04/584897004.db2.gz ZVHLJJKHQJXIPH-LBPRGKRZSA-N 2 2 285.388 -0.456 20 0 CBADLP C[N@H+](CCS(=O)(=O)Nc1ccccc1)C[C@@H](O)C[NH3+] ZINC000903750973 584897337 /nfs/dbraw/zinc/89/73/37/584897337.db2.gz AFADXPXARPSUOB-LBPRGKRZSA-N 2 2 287.385 -0.320 20 0 CBADLP C[N@@H+](CCS(=O)(=O)Nc1ccccc1)C[C@@H](O)C[NH3+] ZINC000903750973 584897338 /nfs/dbraw/zinc/89/73/38/584897338.db2.gz AFADXPXARPSUOB-LBPRGKRZSA-N 2 2 287.385 -0.320 20 0 CBADLP O=C1NC[C@@H]2C[N@H+](C[C@H]3CCCC[NH2+]C3)CCN2C1=O ZINC000903756131 584897608 /nfs/dbraw/zinc/89/76/08/584897608.db2.gz OZQXIESHSWHGBY-NWDGAFQWSA-N 2 2 280.372 -0.981 20 0 CBADLP O=C1NC[C@@H]2C[N@@H+](C[C@H]3CCCC[NH2+]C3)CCN2C1=O ZINC000903756131 584897610 /nfs/dbraw/zinc/89/76/10/584897610.db2.gz OZQXIESHSWHGBY-NWDGAFQWSA-N 2 2 280.372 -0.981 20 0 CBADLP CNC(=O)[C@H]1C[N@H+](C[C@H]2CCCC[NH2+]C2)CCO1 ZINC000903757157 584897742 /nfs/dbraw/zinc/89/77/42/584897742.db2.gz YSELGEVPRIABOD-NWDGAFQWSA-N 2 2 255.362 -0.177 20 0 CBADLP CNC(=O)[C@H]1C[N@@H+](C[C@H]2CCCC[NH2+]C2)CCO1 ZINC000903757157 584897743 /nfs/dbraw/zinc/89/77/43/584897743.db2.gz YSELGEVPRIABOD-NWDGAFQWSA-N 2 2 255.362 -0.177 20 0 CBADLP [NH3+][C@]1(CO)CCC[N@H+](C[C@@H]2C[C@@H]3COC[C@H]3O2)C1 ZINC000903788424 584899663 /nfs/dbraw/zinc/89/96/63/584899663.db2.gz KNGQOVRJHKZWPR-YVECIDJPSA-N 2 2 256.346 -0.424 20 0 CBADLP [NH3+][C@]1(CO)CCC[N@@H+](C[C@@H]2C[C@@H]3COC[C@H]3O2)C1 ZINC000903788424 584899664 /nfs/dbraw/zinc/89/96/64/584899664.db2.gz KNGQOVRJHKZWPR-YVECIDJPSA-N 2 2 256.346 -0.424 20 0 CBADLP O=S1(=O)NC[C@H]2C[N@H+](C[C@H]3CCCC[NH2+]C3)CCN21 ZINC000903789004 584899974 /nfs/dbraw/zinc/89/99/74/584899974.db2.gz SRZZUMUXZNREBU-RYUDHWBXSA-N 2 2 288.417 -0.790 20 0 CBADLP O=S1(=O)NC[C@H]2C[N@@H+](C[C@H]3CCCC[NH2+]C3)CCN21 ZINC000903789004 584899976 /nfs/dbraw/zinc/89/99/76/584899976.db2.gz SRZZUMUXZNREBU-RYUDHWBXSA-N 2 2 288.417 -0.790 20 0 CBADLP CS(=O)(=O)C[C@@H]1C[N@H+](CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000903824965 584900952 /nfs/dbraw/zinc/90/09/52/584900952.db2.gz WJGNBSWDXVGZLA-RYUDHWBXSA-N 2 2 276.402 -0.269 20 0 CBADLP CS(=O)(=O)C[C@@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000903824965 584900954 /nfs/dbraw/zinc/90/09/54/584900954.db2.gz WJGNBSWDXVGZLA-RYUDHWBXSA-N 2 2 276.402 -0.269 20 0 CBADLP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC(=O)NCC(=O)N1CCCC1)C2 ZINC000903845313 584901880 /nfs/dbraw/zinc/90/18/80/584901880.db2.gz HXBDZRJNFYPSCZ-AVGNSLFASA-N 2 2 294.399 -0.463 20 0 CBADLP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(=O)NCC(=O)N1CCCC1)C2 ZINC000903845313 584901882 /nfs/dbraw/zinc/90/18/82/584901882.db2.gz HXBDZRJNFYPSCZ-AVGNSLFASA-N 2 2 294.399 -0.463 20 0 CBADLP Cn1c(C[N@@H+]2CC[C@H]3CC[C@@]32C[NH3+])cc(=O)n(C)c1=O ZINC000903856064 584902044 /nfs/dbraw/zinc/90/20/44/584902044.db2.gz QFAREFMBGKDXIL-QMTHXVAHSA-N 2 2 278.356 -0.603 20 0 CBADLP Cn1c(C[N@H+]2CC[C@H]3CC[C@@]32C[NH3+])cc(=O)n(C)c1=O ZINC000903856064 584902045 /nfs/dbraw/zinc/90/20/45/584902045.db2.gz QFAREFMBGKDXIL-QMTHXVAHSA-N 2 2 278.356 -0.603 20 0 CBADLP Cn1c(C[N@@H+]2CC[C@@H]3CC[C@@]32C[NH3+])cc(=O)n(C)c1=O ZINC000903856061 584902085 /nfs/dbraw/zinc/90/20/85/584902085.db2.gz QFAREFMBGKDXIL-IINYFYTJSA-N 2 2 278.356 -0.603 20 0 CBADLP Cn1c(C[N@H+]2CC[C@@H]3CC[C@@]32C[NH3+])cc(=O)n(C)c1=O ZINC000903856061 584902086 /nfs/dbraw/zinc/90/20/86/584902086.db2.gz QFAREFMBGKDXIL-IINYFYTJSA-N 2 2 278.356 -0.603 20 0 CBADLP [NH3+]C[C@@]12CC[C@H]1CC[N@@H+]2CCN1CCCS1(=O)=O ZINC000903864758 584902595 /nfs/dbraw/zinc/90/25/95/584902595.db2.gz WNRVTNPFOBOZDX-RYUDHWBXSA-N 2 2 273.402 -0.165 20 0 CBADLP [NH3+]C[C@@]12CC[C@H]1CC[N@H+]2CCN1CCCS1(=O)=O ZINC000903864758 584902596 /nfs/dbraw/zinc/90/25/96/584902596.db2.gz WNRVTNPFOBOZDX-RYUDHWBXSA-N 2 2 273.402 -0.165 20 0 CBADLP COC(=O)CN(C)C(=O)CC[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903865691 584902733 /nfs/dbraw/zinc/90/27/33/584902733.db2.gz DXDLDUWXUCJKOJ-AWEZNQCLSA-N 2 2 283.372 -0.164 20 0 CBADLP COC(=O)CN(C)C(=O)CC[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903865691 584902735 /nfs/dbraw/zinc/90/27/35/584902735.db2.gz DXDLDUWXUCJKOJ-AWEZNQCLSA-N 2 2 283.372 -0.164 20 0 CBADLP CCOC(=O)[C@H]1C[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC000903875381 584903083 /nfs/dbraw/zinc/90/30/83/584903083.db2.gz OYPHSCYTUKPNNP-VXGBXAGGSA-N 2 2 284.356 -0.371 20 0 CBADLP CCOC(=O)[C@H]1C[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC000903875381 584903085 /nfs/dbraw/zinc/90/30/85/584903085.db2.gz OYPHSCYTUKPNNP-VXGBXAGGSA-N 2 2 284.356 -0.371 20 0 CBADLP CC(C)[N@H+](CC(N)=O)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903877353 584903547 /nfs/dbraw/zinc/90/35/47/584903547.db2.gz MZAFSEBWRAOPTQ-LLVKDONJSA-N 2 2 280.376 -0.102 20 0 CBADLP CC(C)[N@@H+](CC(N)=O)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903877353 584903549 /nfs/dbraw/zinc/90/35/49/584903549.db2.gz MZAFSEBWRAOPTQ-LLVKDONJSA-N 2 2 280.376 -0.102 20 0 CBADLP CN1C(=O)[C@H]2C[N@H+](C[C@H]([NH3+])CC(F)F)C[C@H]2C1=O ZINC000903937303 584904848 /nfs/dbraw/zinc/90/48/48/584904848.db2.gz HOFDFJLXUCHVGN-PRJMDXOYSA-N 2 2 261.272 -0.485 20 0 CBADLP CN1C(=O)[C@H]2C[N@@H+](C[C@H]([NH3+])CC(F)F)C[C@H]2C1=O ZINC000903937303 584904850 /nfs/dbraw/zinc/90/48/50/584904850.db2.gz HOFDFJLXUCHVGN-PRJMDXOYSA-N 2 2 261.272 -0.485 20 0 CBADLP O=S1(=O)CCNC[C@@H]1CC[NH2+][C@@H]1CCC[NH2+]C1 ZINC000903969621 584905335 /nfs/dbraw/zinc/90/53/35/584905335.db2.gz HUBGXENPOBKEAV-MNOVXSKESA-N 2 2 261.391 -0.895 20 0 CBADLP C[C@@H]1C[NH2+]C[C@H]([NH2+]CC[C@H]2CNCCS2(=O)=O)C1 ZINC000903970554 584905502 /nfs/dbraw/zinc/90/55/02/584905502.db2.gz ZGHQQVIQPXCSEI-TUAOUCFPSA-N 2 2 275.418 -0.649 20 0 CBADLP CC(C)[C@H](C(=O)N1CCC[N@@H+]([C@@H](C)C(N)=O)CC1)[NH+](C)C ZINC000981894720 614188535 /nfs/dbraw/zinc/18/85/35/614188535.db2.gz HIOAMEVLLZRKCG-QWHCGFSZSA-N 2 2 298.431 -0.019 20 0 CBADLP CC(C)[C@H](C(=O)N1CCC[N@H+]([C@@H](C)C(N)=O)CC1)[NH+](C)C ZINC000981894720 614188538 /nfs/dbraw/zinc/18/85/38/614188538.db2.gz HIOAMEVLLZRKCG-QWHCGFSZSA-N 2 2 298.431 -0.019 20 0 CBADLP CC1(C)C[N@H+](CC(N)=O)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000941252588 614612208 /nfs/dbraw/zinc/61/22/08/614612208.db2.gz DGNOOLIGKXSWJO-LLVKDONJSA-N 2 2 293.371 -0.415 20 0 CBADLP CC1(C)C[N@@H+](CC(N)=O)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000941252588 614612211 /nfs/dbraw/zinc/61/22/11/614612211.db2.gz DGNOOLIGKXSWJO-LLVKDONJSA-N 2 2 293.371 -0.415 20 0 CBADLP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1C[NH+](CCO)C1 ZINC000950363098 614626666 /nfs/dbraw/zinc/62/66/66/614626666.db2.gz AYYMDOUDXHSQDI-DGCLKSJQSA-N 2 2 269.389 -0.148 20 0 CBADLP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1C[NH+](CCO)C1 ZINC000950363098 614626668 /nfs/dbraw/zinc/62/66/68/614626668.db2.gz AYYMDOUDXHSQDI-DGCLKSJQSA-N 2 2 269.389 -0.148 20 0 CBADLP CC[NH+]1CC(N2CCN(C(=O)Cn3cc[nH+]c3)CC2)C1 ZINC000941685221 615086975 /nfs/dbraw/zinc/08/69/75/615086975.db2.gz YKLRHONDSGBGRX-UHFFFAOYSA-N 2 2 277.372 -0.269 20 0 CBADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](CC(N)=O)C1 ZINC000970928049 615111415 /nfs/dbraw/zinc/11/14/15/615111415.db2.gz IGEIOVLKQALUBL-WCQYABFASA-N 2 2 296.415 -0.217 20 0 CBADLP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](CC(N)=O)C1 ZINC000970928049 615111416 /nfs/dbraw/zinc/11/14/16/615111416.db2.gz IGEIOVLKQALUBL-WCQYABFASA-N 2 2 296.415 -0.217 20 0 CBADLP CC[C@@H](C(=O)N1CCC[N@@H+]([C@H](C)C(N)=O)CC1)[NH+](C)C ZINC000981973273 615370551 /nfs/dbraw/zinc/37/05/51/615370551.db2.gz HMLOFNLEZRVBRE-NEPJUHHUSA-N 2 2 284.404 -0.265 20 0 CBADLP CC[C@@H](C(=O)N1CCC[N@H+]([C@H](C)C(N)=O)CC1)[NH+](C)C ZINC000981973273 615370553 /nfs/dbraw/zinc/37/05/53/615370553.db2.gz HMLOFNLEZRVBRE-NEPJUHHUSA-N 2 2 284.404 -0.265 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1 ZINC000963012325 615403215 /nfs/dbraw/zinc/40/32/15/615403215.db2.gz AGGGGDPSGKQXPC-SRRSOLGSSA-N 2 2 291.355 -0.807 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1 ZINC000963012325 615403218 /nfs/dbraw/zinc/40/32/18/615403218.db2.gz AGGGGDPSGKQXPC-SRRSOLGSSA-N 2 2 291.355 -0.807 20 0 CBADLP CC[C@@H]([NH2+][C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1)C(N)=O ZINC000970577049 615537894 /nfs/dbraw/zinc/53/78/94/615537894.db2.gz LBMWYCXIMAWKKK-GHMZBOCLSA-N 2 2 293.371 -0.285 20 0 CBADLP CC[C@H](C(=O)N1CCC[N@@H+]([C@H](C)C(N)=O)CC1)[NH+](C)C ZINC000981438000 615600893 /nfs/dbraw/zinc/60/08/93/615600893.db2.gz HMLOFNLEZRVBRE-VXGBXAGGSA-N 2 2 284.404 -0.265 20 0 CBADLP CC[C@H](C(=O)N1CCC[N@H+]([C@H](C)C(N)=O)CC1)[NH+](C)C ZINC000981438000 615600894 /nfs/dbraw/zinc/60/08/94/615600894.db2.gz HMLOFNLEZRVBRE-VXGBXAGGSA-N 2 2 284.404 -0.265 20 0 CBADLP C[NH+](C)[C@H](C(=O)N1CC[NH+](CCCO)CC1)C1CC1 ZINC000948761428 615987944 /nfs/dbraw/zinc/98/79/44/615987944.db2.gz JCHNGMFQFXLORJ-ZDUSSCGKSA-N 2 2 269.389 -0.147 20 0 CBADLP C[N@H+](CC(N)=O)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000972068983 616053455 /nfs/dbraw/zinc/05/34/55/616053455.db2.gz HTRHQGQHJJWMAV-GFCCVEGCSA-N 2 2 296.415 -0.121 20 0 CBADLP C[N@@H+](CC(N)=O)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000972068983 616053456 /nfs/dbraw/zinc/05/34/56/616053456.db2.gz HTRHQGQHJJWMAV-GFCCVEGCSA-N 2 2 296.415 -0.121 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@@H]([N@H+](C)CCO)C1 ZINC000980296380 616109911 /nfs/dbraw/zinc/10/99/11/616109911.db2.gz RFNRPZYNTCNZOM-CYBMUJFWSA-N 2 2 280.372 -0.122 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@@H]([N@@H+](C)CCO)C1 ZINC000980296380 616109912 /nfs/dbraw/zinc/10/99/12/616109912.db2.gz RFNRPZYNTCNZOM-CYBMUJFWSA-N 2 2 280.372 -0.122 20 0 CBADLP C[N@H+](CCO)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000980539713 616110295 /nfs/dbraw/zinc/11/02/95/616110295.db2.gz UXFIPGNFHQKKKJ-LLVKDONJSA-N 2 2 252.318 -0.592 20 0 CBADLP C[N@@H+](CCO)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000980539713 616110296 /nfs/dbraw/zinc/11/02/96/616110296.db2.gz UXFIPGNFHQKKKJ-LLVKDONJSA-N 2 2 252.318 -0.592 20 0 CBADLP C[N@H+](CCO)[C@@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000971814947 616110632 /nfs/dbraw/zinc/11/06/32/616110632.db2.gz WNZPQLWMHFEXQK-CHWSQXEVSA-N 2 2 292.383 -0.030 20 0 CBADLP C[N@@H+](CCO)[C@@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000971814947 616110633 /nfs/dbraw/zinc/11/06/33/616110633.db2.gz WNZPQLWMHFEXQK-CHWSQXEVSA-N 2 2 292.383 -0.030 20 0 CBADLP C[N@H+](CCO)[C@@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000971816550 616111005 /nfs/dbraw/zinc/11/10/05/616111005.db2.gz BMASLHQNTZRHEB-QWHCGFSZSA-N 2 2 292.383 -0.030 20 0 CBADLP C[N@@H+](CCO)[C@@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000971816550 616111007 /nfs/dbraw/zinc/11/10/07/616111007.db2.gz BMASLHQNTZRHEB-QWHCGFSZSA-N 2 2 292.383 -0.030 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC(N)=O)CC1(C)C ZINC000940624899 616212017 /nfs/dbraw/zinc/21/20/17/616212017.db2.gz MCENTUMPVWEITP-NWDGAFQWSA-N 2 2 296.415 -0.217 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC(N)=O)CC1(C)C ZINC000940624899 616212018 /nfs/dbraw/zinc/21/20/18/616212018.db2.gz MCENTUMPVWEITP-NWDGAFQWSA-N 2 2 296.415 -0.217 20 0 CBADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)CC1(C)C ZINC000940624899 616212019 /nfs/dbraw/zinc/21/20/19/616212019.db2.gz MCENTUMPVWEITP-NWDGAFQWSA-N 2 2 296.415 -0.217 20 0 CBADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)CC1(C)C ZINC000940624899 616212020 /nfs/dbraw/zinc/21/20/20/616212020.db2.gz MCENTUMPVWEITP-NWDGAFQWSA-N 2 2 296.415 -0.217 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[NH+](CCO)CC2(C)C)C1 ZINC000972991275 616253263 /nfs/dbraw/zinc/25/32/63/616253263.db2.gz HQOQZLNRANXLHX-NEPJUHHUSA-N 2 2 285.388 -0.864 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)N[C@H]2C[N@H+](CCO)CC2(C)C)C1 ZINC000972991275 616253265 /nfs/dbraw/zinc/25/32/65/616253265.db2.gz HQOQZLNRANXLHX-NEPJUHHUSA-N 2 2 285.388 -0.864 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)N[C@H]2C[N@@H+](CCO)CC2(C)C)C1 ZINC000972991275 616253266 /nfs/dbraw/zinc/25/32/66/616253266.db2.gz HQOQZLNRANXLHX-NEPJUHHUSA-N 2 2 285.388 -0.864 20 0 CBADLP CN1CC[C@@H]([NH2+][C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)C1=O ZINC000970857823 616281418 /nfs/dbraw/zinc/28/14/18/616281418.db2.gz LIAAHMFUJQUZBR-VXGBXAGGSA-N 2 2 291.355 -0.696 20 0 CBADLP COCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1[nH]c[nH+]c1C ZINC000962399690 616466044 /nfs/dbraw/zinc/46/60/44/616466044.db2.gz XLIHTNPOCKSLJK-YABSGUDNSA-N 2 2 278.356 -0.047 20 0 CBADLP COCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1[nH]c[nH+]c1C ZINC000962399690 616466047 /nfs/dbraw/zinc/46/60/47/616466047.db2.gz XLIHTNPOCKSLJK-YABSGUDNSA-N 2 2 278.356 -0.047 20 0 CBADLP CNC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000969382640 616598831 /nfs/dbraw/zinc/59/88/31/616598831.db2.gz VTRQWJXIAYESIQ-CMPLNLGQSA-N 2 2 282.388 -0.737 20 0 CBADLP CNC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000969382640 616598832 /nfs/dbraw/zinc/59/88/32/616598832.db2.gz VTRQWJXIAYESIQ-CMPLNLGQSA-N 2 2 282.388 -0.737 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC000948085836 616622732 /nfs/dbraw/zinc/62/27/32/616622732.db2.gz DPIUJOPDDDMJHM-RYUDHWBXSA-N 2 2 293.371 -0.402 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC000948085836 616622734 /nfs/dbraw/zinc/62/27/34/616622734.db2.gz DPIUJOPDDDMJHM-RYUDHWBXSA-N 2 2 293.371 -0.402 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000980840076 616784766 /nfs/dbraw/zinc/78/47/66/616784766.db2.gz RNHNXDYGNXMXTL-OLZOCXBDSA-N 2 2 296.415 -0.251 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000980840076 616784770 /nfs/dbraw/zinc/78/47/70/616784770.db2.gz RNHNXDYGNXMXTL-OLZOCXBDSA-N 2 2 296.415 -0.251 20 0 CBADLP CNC(=O)[C@@H](C)[NH+]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000980840076 616784772 /nfs/dbraw/zinc/78/47/72/616784772.db2.gz RNHNXDYGNXMXTL-OLZOCXBDSA-N 2 2 296.415 -0.251 20 0 CBADLP CNC(=O)[C@@H](C)[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000980840076 616784773 /nfs/dbraw/zinc/78/47/73/616784773.db2.gz RNHNXDYGNXMXTL-OLZOCXBDSA-N 2 2 296.415 -0.251 20 0 CBADLP CO[C@@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1 ZINC000963014576 617157013 /nfs/dbraw/zinc/15/70/13/617157013.db2.gz GFSBRYBQFMEFRD-CIQGVGRVSA-N 2 2 278.356 -0.036 20 0 CBADLP CO[C@@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1 ZINC000963014576 617157015 /nfs/dbraw/zinc/15/70/15/617157015.db2.gz GFSBRYBQFMEFRD-CIQGVGRVSA-N 2 2 278.356 -0.036 20 0 CBADLP CCN(CC)C(=O)C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000228808206 656110427 /nfs/dbraw/zinc/11/04/27/656110427.db2.gz FLDNLBGTPVEJSO-LBPRGKRZSA-N 2 2 257.378 -0.099 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](CO)[C@H]1CO ZINC000709803913 656196184 /nfs/dbraw/zinc/19/61/84/656196184.db2.gz NEVVYSALOGZFIZ-YNEHKIRRSA-N 2 2 260.378 -0.636 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](CO)[C@H]1CO ZINC000709803913 656196186 /nfs/dbraw/zinc/19/61/86/656196186.db2.gz NEVVYSALOGZFIZ-YNEHKIRRSA-N 2 2 260.378 -0.636 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](CO)[C@H]1CO ZINC000709803913 656196188 /nfs/dbraw/zinc/19/61/88/656196188.db2.gz NEVVYSALOGZFIZ-YNEHKIRRSA-N 2 2 260.378 -0.636 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](CO)[C@H]1CO ZINC000709803913 656196190 /nfs/dbraw/zinc/19/61/90/656196190.db2.gz NEVVYSALOGZFIZ-YNEHKIRRSA-N 2 2 260.378 -0.636 20 0 CBADLP CCS(=O)(=O)CC[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710631869 656198998 /nfs/dbraw/zinc/19/89/98/656198998.db2.gz KNWQUZACXAQXNM-UHFFFAOYSA-N 2 2 278.418 -0.190 20 0 CBADLP [NH3+]C[C@H]1CC2(CO1)CC[NH+](C[C@H]1C[NH2+]CCO1)CC2 ZINC000923450982 658286736 /nfs/dbraw/zinc/28/67/36/658286736.db2.gz IZTSONGPWNOJFQ-CHWSQXEVSA-N 3 2 269.389 -0.195 20 0 CBADLP COC(=O)c1cn(CC[NH2+][C@@H]2CCC[NH2+][C@@H]2C)nn1 ZINC000925665343 658864699 /nfs/dbraw/zinc/86/46/99/658864699.db2.gz DLGLIYJHICGFJY-NXEZZACHSA-N 2 2 267.333 -0.205 20 0 CBADLP C[C@@H]([NH2+]CC[C@@H]1CNCCS1(=O)=O)c1c[nH+]ccc1N ZINC000925789752 658871689 /nfs/dbraw/zinc/87/16/89/658871689.db2.gz XIZLONFNHWYFNV-GHMZBOCLSA-N 2 2 298.412 -0.079 20 0 CBADLP C[C@H]([NH2+]CC[C@@H]1CNCCS1(=O)=O)[C@H]1CCCC[NH2+]1 ZINC000925788002 658871780 /nfs/dbraw/zinc/87/17/80/658871780.db2.gz FGXWARPAEWGDJS-YNEHKIRRSA-N 2 2 289.445 -0.117 20 0 CBADLP C[C@H]([NH2+]CC[C@@H]1CNCCS1(=O)=O)[C@@H]1CCC[NH2+]1 ZINC000925788926 658872185 /nfs/dbraw/zinc/87/21/85/658872185.db2.gz DKJJHPXEMNLEKL-TUAOUCFPSA-N 2 2 275.418 -0.507 20 0 CBADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC[C@H]1CNCCS1(=O)=O ZINC000925792250 658872225 /nfs/dbraw/zinc/87/22/25/658872225.db2.gz VKVSBOPOUPRYGN-SRVKXCTJSA-N 2 2 275.418 -0.507 20 0 CBADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1CC[C@@H]([NH2+]CCO)C1 ZINC000969138650 658954605 /nfs/dbraw/zinc/95/46/05/658954605.db2.gz ZWYVMDCMCQXZRN-NWDGAFQWSA-N 2 2 278.356 -0.372 20 0 CBADLP C[N@H+](C[C@H](O)C[NH2+][C@@H]1C(=O)NCC1(C)C)C1CC1 ZINC000931654355 659502571 /nfs/dbraw/zinc/50/25/71/659502571.db2.gz COAKBKMIZAYKNK-GHMZBOCLSA-N 2 2 255.362 -0.444 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1C(=O)NCC1(C)C)C1CC1 ZINC000931654355 659502577 /nfs/dbraw/zinc/50/25/77/659502577.db2.gz COAKBKMIZAYKNK-GHMZBOCLSA-N 2 2 255.362 -0.444 20 0 CBADLP C[N@@H+]1CCN(CC[NH+]2C[C@H]3CC[C@@H](C2)O3)C[C@@H]1CO ZINC000931402085 659451752 /nfs/dbraw/zinc/45/17/52/659451752.db2.gz BGLFQXVFRCSCCW-MCIONIFRSA-N 2 2 269.389 -0.542 20 0 CBADLP C[N@H+]1CCN(CC[NH+]2C[C@H]3CC[C@@H](C2)O3)C[C@@H]1CO ZINC000931402085 659451757 /nfs/dbraw/zinc/45/17/57/659451757.db2.gz BGLFQXVFRCSCCW-MCIONIFRSA-N 2 2 269.389 -0.542 20 0 CBADLP C[NH+]1CCN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C[C@@H]1CO ZINC000931402085 659451760 /nfs/dbraw/zinc/45/17/60/659451760.db2.gz BGLFQXVFRCSCCW-MCIONIFRSA-N 2 2 269.389 -0.542 20 0 CBADLP C[NH+]1CCN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C[C@@H]1CO ZINC000931402085 659451762 /nfs/dbraw/zinc/45/17/62/659451762.db2.gz BGLFQXVFRCSCCW-MCIONIFRSA-N 2 2 269.389 -0.542 20 0 CBADLP CNC(=O)NC(=O)CC[N@@H+]1CCCC[C@H]1C[NH2+]C ZINC000063168658 656034047 /nfs/dbraw/zinc/03/40/47/656034047.db2.gz UKCOOTAFLOYARE-JTQLQIEISA-N 2 2 256.350 -0.094 20 0 CBADLP CNC(=O)NC(=O)CC[N@H+]1CCCC[C@H]1C[NH2+]C ZINC000063168658 656034051 /nfs/dbraw/zinc/03/40/51/656034051.db2.gz UKCOOTAFLOYARE-JTQLQIEISA-N 2 2 256.350 -0.094 20 0 CBADLP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[NH+](CCO)CC1 ZINC000087084393 656051961 /nfs/dbraw/zinc/05/19/61/656051961.db2.gz YSGQRUSXRUPHNT-LBPRGKRZSA-N 2 2 255.362 -0.393 20 0 CBADLP C[C@H]1CCC[N@H+]1CC(=O)N1CC[NH+](CCO)CC1 ZINC000087084393 656051963 /nfs/dbraw/zinc/05/19/63/656051963.db2.gz YSGQRUSXRUPHNT-LBPRGKRZSA-N 2 2 255.362 -0.393 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C[C@@H]1CC[NH2+]C1 ZINC000089741831 656056047 /nfs/dbraw/zinc/05/60/47/656056047.db2.gz LMMPKHVZMBHJCL-RYUDHWBXSA-N 2 2 255.362 -0.177 20 0 CBADLP C[NH+](C)CC(=O)N1CC[NH+](CC[C@@H]2CCOC2=O)CC1 ZINC000151312156 656069693 /nfs/dbraw/zinc/06/96/93/656069693.db2.gz AWNCTKVJIKAIQG-GFCCVEGCSA-N 2 2 283.372 -0.355 20 0 CBADLP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C[NH3+])C2)C[C@@H](C)O1 ZINC000224218428 656105587 /nfs/dbraw/zinc/10/55/87/656105587.db2.gz VDYNVBNAPRTBOW-UTUOFQBUSA-N 2 2 255.362 -0.097 20 0 CBADLP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C[NH3+])C2)C[C@@H](C)O1 ZINC000224218428 656105592 /nfs/dbraw/zinc/10/55/92/656105592.db2.gz VDYNVBNAPRTBOW-UTUOFQBUSA-N 2 2 255.362 -0.097 20 0 CBADLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1ccc(OCC(N)=O)cc1 ZINC000228725367 656110526 /nfs/dbraw/zinc/11/05/26/656110526.db2.gz FYAHQOJJLOXZJF-HNNXBMFYSA-N 2 2 295.383 -0.047 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000313080199 656147763 /nfs/dbraw/zinc/14/77/63/656147763.db2.gz LGGDWXKNUBOUCX-AJNGGQMLSA-N 3 2 285.432 -0.015 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000313080199 656147764 /nfs/dbraw/zinc/14/77/64/656147764.db2.gz LGGDWXKNUBOUCX-AJNGGQMLSA-N 3 2 285.432 -0.015 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000313080199 656147767 /nfs/dbraw/zinc/14/77/67/656147767.db2.gz LGGDWXKNUBOUCX-AJNGGQMLSA-N 3 2 285.432 -0.015 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000313080199 656147769 /nfs/dbraw/zinc/14/77/69/656147769.db2.gz LGGDWXKNUBOUCX-AJNGGQMLSA-N 3 2 285.432 -0.015 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000313080221 656147844 /nfs/dbraw/zinc/14/78/44/656147844.db2.gz LGGDWXKNUBOUCX-ZQDZILKHSA-N 3 2 285.432 -0.015 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000313080221 656147849 /nfs/dbraw/zinc/14/78/49/656147849.db2.gz LGGDWXKNUBOUCX-ZQDZILKHSA-N 3 2 285.432 -0.015 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000313080221 656147851 /nfs/dbraw/zinc/14/78/51/656147851.db2.gz LGGDWXKNUBOUCX-ZQDZILKHSA-N 3 2 285.432 -0.015 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000313080221 656147854 /nfs/dbraw/zinc/14/78/54/656147854.db2.gz LGGDWXKNUBOUCX-ZQDZILKHSA-N 3 2 285.432 -0.015 20 0 CBADLP COCC[N@@H+]1CCCN(C(=O)[C@H]2[NH2+]CCO[C@@H]2C)CC1 ZINC000328355454 656148849 /nfs/dbraw/zinc/14/88/49/656148849.db2.gz OBXYXIVWCFQLRH-OLZOCXBDSA-N 2 2 285.388 -0.456 20 0 CBADLP O=C(NCCn1cc[nH+]c1)c1[nH]nc2c1C[NH2+]CC2 ZINC000446264378 656171617 /nfs/dbraw/zinc/17/16/17/656171617.db2.gz HXRXDKZFRCLXTH-UHFFFAOYSA-N 2 2 260.301 -0.318 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710663323 656199284 /nfs/dbraw/zinc/19/92/84/656199284.db2.gz DGKQFGKGWHJVAO-ZDUSSCGKSA-N 3 2 273.421 -0.313 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710663323 656199287 /nfs/dbraw/zinc/19/92/87/656199287.db2.gz DGKQFGKGWHJVAO-ZDUSSCGKSA-N 3 2 273.421 -0.313 20 0 CBADLP [NH3+][C@H]1CC[C@H](C(=O)N2CC[NH+](CCO)CC2)CC1 ZINC000710833708 656204294 /nfs/dbraw/zinc/20/42/94/656204294.db2.gz JLTJOTMIFQIKPH-HAQNSBGRSA-N 2 2 255.362 -0.360 20 0 CBADLP CC1(C)C[NH2+]C[C@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000711355831 656207744 /nfs/dbraw/zinc/20/77/44/656207744.db2.gz RVALTHKKWFBFDE-NSHDSACASA-N 2 2 255.362 -0.632 20 0 CBADLP C[C@H](C(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2)N1CC[NH2+]CC1=O ZINC000877386051 656246487 /nfs/dbraw/zinc/24/64/87/656246487.db2.gz PBDXLXAUAYEOMM-UHIISALHSA-N 2 2 280.372 -0.793 20 0 CBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H]([NH3+])CC1CC1 ZINC000884426989 656253139 /nfs/dbraw/zinc/25/31/39/656253139.db2.gz ABWRPUBZTQYGQJ-QWHCGFSZSA-N 2 2 285.388 -0.735 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000884638684 656253519 /nfs/dbraw/zinc/25/35/19/656253519.db2.gz FWZFVUXQKJLPRK-RYUDHWBXSA-N 2 2 293.371 -0.272 20 0 CBADLP [NH3+]C[C@H]1CCCN1C(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000884652621 656254184 /nfs/dbraw/zinc/25/41/84/656254184.db2.gz ZLZOQHUPTNIIQO-LLVKDONJSA-N 2 2 279.344 -0.661 20 0 CBADLP C[N@H+](CCO)CCNC(=O)CCCn1cc[nH+]c1 ZINC000899733800 656304786 /nfs/dbraw/zinc/30/47/86/656304786.db2.gz JIAKQGBPEJYMRX-UHFFFAOYSA-N 2 2 254.334 -0.296 20 0 CBADLP C[N@@H+](CCO)CCNC(=O)CCCn1cc[nH+]c1 ZINC000899733800 656304789 /nfs/dbraw/zinc/30/47/89/656304789.db2.gz JIAKQGBPEJYMRX-UHFFFAOYSA-N 2 2 254.334 -0.296 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC000900813479 656312643 /nfs/dbraw/zinc/31/26/43/656312643.db2.gz ZLLBAKPEMDAIKD-YPMHNXCESA-N 2 2 279.388 -0.058 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC000900813479 656312644 /nfs/dbraw/zinc/31/26/44/656312644.db2.gz ZLLBAKPEMDAIKD-YPMHNXCESA-N 2 2 279.388 -0.058 20 0 CBADLP COC(=O)[C@@H]1C[N@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CCO1 ZINC000903753330 656322581 /nfs/dbraw/zinc/32/25/81/656322581.db2.gz TYKFKJDCPAHAMO-SGMGOOAPSA-N 2 2 284.356 -0.371 20 0 CBADLP COC(=O)[C@@H]1C[N@@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CCO1 ZINC000903753330 656322585 /nfs/dbraw/zinc/32/25/85/656322585.db2.gz TYKFKJDCPAHAMO-SGMGOOAPSA-N 2 2 284.356 -0.371 20 0 CBADLP C[C@@]1(C[N@H+]2CC[C@H](S(N)(=O)=O)C2)CCC[NH2+]C1 ZINC000904338253 656325349 /nfs/dbraw/zinc/32/53/49/656325349.db2.gz PQOAGQNHSHVVLT-WDEREUQCSA-N 2 2 261.391 -0.261 20 0 CBADLP C[C@@]1(C[N@@H+]2CC[C@H](S(N)(=O)=O)C2)CCC[NH2+]C1 ZINC000904338253 656325348 /nfs/dbraw/zinc/32/53/48/656325348.db2.gz PQOAGQNHSHVVLT-WDEREUQCSA-N 2 2 261.391 -0.261 20 0 CBADLP CCO[C@@H]1C[N@H+](Cc2ccc(N)nn2)C[C@H]1C[NH3+] ZINC000904375900 656325882 /nfs/dbraw/zinc/32/58/82/656325882.db2.gz KCUYNHASKPIZCS-MWLCHTKSSA-N 2 2 251.334 -0.146 20 0 CBADLP CCO[C@@H]1C[N@@H+](Cc2ccc(N)nn2)C[C@H]1C[NH3+] ZINC000904375900 656325886 /nfs/dbraw/zinc/32/58/86/656325886.db2.gz KCUYNHASKPIZCS-MWLCHTKSSA-N 2 2 251.334 -0.146 20 0 CBADLP C[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]3CC[C@@]32C[NH3+])CC1 ZINC000904968501 656331303 /nfs/dbraw/zinc/33/13/03/656331303.db2.gz BLUVHGCUHPMTKM-IUODEOHRSA-N 2 2 294.399 -0.510 20 0 CBADLP [NH3+][C@@H](CNS(=O)(=O)CCC[NH+]1CCOCC1)C1CC1 ZINC000905341933 656350227 /nfs/dbraw/zinc/35/02/27/656350227.db2.gz FUWBNPAQCUQBIT-LBPRGKRZSA-N 2 2 291.417 -0.635 20 0 CBADLP C[C@H]([NH3+])[C@H](C)NS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000905343576 656350788 /nfs/dbraw/zinc/35/07/88/656350788.db2.gz JVKHSOAARSMLFQ-QWRGUYRKSA-N 2 2 279.406 -0.636 20 0 CBADLP C[C@]1(NS(=O)(=O)CCC[NH+]2CCOCC2)CC[NH2+]C1 ZINC000905360932 656353817 /nfs/dbraw/zinc/35/38/17/656353817.db2.gz DNICDPTUMRFQSE-LBPRGKRZSA-N 2 2 291.417 -0.620 20 0 CBADLP CCO[C@@H](C[NH2+]C[C@@H](O)Cn1cccn1)C[NH+](C)C ZINC000905579826 656362599 /nfs/dbraw/zinc/36/25/99/656362599.db2.gz LNIPUQJZVQFZME-OLZOCXBDSA-N 2 2 270.377 -0.200 20 0 CBADLP CC1(C)CC[N@H+](CC[NH2+]CCC(=O)NC(N)=O)C1 ZINC000905676017 656365292 /nfs/dbraw/zinc/36/52/92/656365292.db2.gz BUWZQLFESRRMBG-UHFFFAOYSA-N 2 2 256.350 -0.107 20 0 CBADLP CC1(C)CC[N@@H+](CC[NH2+]CCC(=O)NC(N)=O)C1 ZINC000905676017 656365295 /nfs/dbraw/zinc/36/52/95/656365295.db2.gz BUWZQLFESRRMBG-UHFFFAOYSA-N 2 2 256.350 -0.107 20 0 CBADLP C[NH+]1CCN(C(=O)C(=O)Nc2ccccc2C[NH3+])CC1 ZINC000906646826 656395615 /nfs/dbraw/zinc/39/56/15/656395615.db2.gz XKOHVKLDBYHIJS-UHFFFAOYSA-N 2 2 276.340 -0.142 20 0 CBADLP C[C@@H]([NH2+][C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC1(C)C)C(N)=O ZINC000996354925 656409121 /nfs/dbraw/zinc/40/91/21/656409121.db2.gz JLVZFXKPMPPBAI-KOLCDFICSA-N 2 2 293.371 -0.347 20 0 CBADLP C[C@H](O)C[NH2+]C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000997042571 656464420 /nfs/dbraw/zinc/46/44/20/656464420.db2.gz RATYKKQIJCTGEO-JTQLQIEISA-N 2 2 266.345 -0.086 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N1CCC([NH2+][C@@H]2CCNC2=O)CC1 ZINC000997123938 656467761 /nfs/dbraw/zinc/46/77/61/656467761.db2.gz IYJGCFPGLVBPIQ-LLVKDONJSA-N 2 2 291.355 -0.579 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC([NH2+]CC(N)=O)CC1 ZINC000997221053 656469132 /nfs/dbraw/zinc/46/91/32/656469132.db2.gz JRSHHWZIUZQKPV-UHFFFAOYSA-N 2 2 279.344 -0.673 20 0 CBADLP Cn1c[nH+]cc1CCNC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000907308511 656485958 /nfs/dbraw/zinc/48/59/58/656485958.db2.gz UPKYKNKSWSFCOJ-AWEZNQCLSA-N 2 2 280.372 -0.074 20 0 CBADLP Cn1c[nH+]cc1CCNC(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000907308511 656485964 /nfs/dbraw/zinc/48/59/64/656485964.db2.gz UPKYKNKSWSFCOJ-AWEZNQCLSA-N 2 2 280.372 -0.074 20 0 CBADLP C[N@@H+]1CC[C@](O)(CNC(=O)CNc2cccc[nH+]2)C1 ZINC000907389688 656499089 /nfs/dbraw/zinc/49/90/89/656499089.db2.gz SWYMRDRVYLWASK-ZDUSSCGKSA-N 2 2 264.329 -0.324 20 0 CBADLP C[N@H+]1CC[C@](O)(CNC(=O)CNc2cccc[nH+]2)C1 ZINC000907389688 656499097 /nfs/dbraw/zinc/49/90/97/656499097.db2.gz SWYMRDRVYLWASK-ZDUSSCGKSA-N 2 2 264.329 -0.324 20 0 CBADLP C[C@@H]([NH2+][C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1)C(N)=O ZINC000999043922 656604736 /nfs/dbraw/zinc/60/47/36/656604736.db2.gz KXKGBKQAROPTKI-MNOVXSKESA-N 2 2 293.371 -0.203 20 0 CBADLP CN(C(=O)Cc1[nH]cc[nH+]1)C1CC([NH2+][C@H]2CCNC2=O)C1 ZINC000999606243 656637172 /nfs/dbraw/zinc/63/71/72/656637172.db2.gz SOMKSLYFNXUKAS-ILDUYXDCSA-N 2 2 291.355 -0.580 20 0 CBADLP CC[N@@H+]1CCN(C(=O)[C@]2(C)C[C@H](O)C[NH+]2C)[C@@H](C)C1 ZINC000908136249 656653462 /nfs/dbraw/zinc/65/34/62/656653462.db2.gz BKDVZRCFDJORJH-OBJOEFQTSA-N 2 2 269.389 -0.006 20 0 CBADLP CC[N@H+]1CCN(C(=O)[C@]2(C)C[C@H](O)C[NH+]2C)[C@@H](C)C1 ZINC000908136249 656653465 /nfs/dbraw/zinc/65/34/65/656653465.db2.gz BKDVZRCFDJORJH-OBJOEFQTSA-N 2 2 269.389 -0.006 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)[C@@H](C)C1 ZINC000908136249 656653471 /nfs/dbraw/zinc/65/34/71/656653471.db2.gz BKDVZRCFDJORJH-OBJOEFQTSA-N 2 2 269.389 -0.006 20 0 CBADLP O=C(/C=C/C[NH+]1CCOCC1)N[C@@H](CO)C[NH+]1CCCC1 ZINC000908205912 656673551 /nfs/dbraw/zinc/67/35/51/656673551.db2.gz XUYRIJJNMZQBET-RDFMZFSFSA-N 2 2 297.399 -0.552 20 0 CBADLP Cn1c[nH+]cc1CNC(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000908261499 656687091 /nfs/dbraw/zinc/68/70/91/656687091.db2.gz PFDDOKDMDBINJH-CYBMUJFWSA-N 2 2 266.345 -0.117 20 0 CBADLP Cn1c[nH+]cc1CNC(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000908261499 656687098 /nfs/dbraw/zinc/68/70/98/656687098.db2.gz PFDDOKDMDBINJH-CYBMUJFWSA-N 2 2 266.345 -0.117 20 0 CBADLP CC[C@H]([NH2+][C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1)C(N)=O ZINC001000565704 656738756 /nfs/dbraw/zinc/73/87/56/656738756.db2.gz RHMQNKVLFCVCCL-MNOVXSKESA-N 2 2 293.371 -0.203 20 0 CBADLP C[C@@H](O)C[NH2+][C@@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001000695431 656759138 /nfs/dbraw/zinc/75/91/38/656759138.db2.gz MFHLTUHDKJNYLE-VXGBXAGGSA-N 2 2 280.372 -0.076 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001000696405 656759449 /nfs/dbraw/zinc/75/94/49/656759449.db2.gz QJLATAQRGOPHJO-LLVKDONJSA-N 2 2 266.345 -0.465 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@@H]([NH2+]CC(N)=O)C1 ZINC001000689288 656759803 /nfs/dbraw/zinc/75/98/03/656759803.db2.gz OUONJPIZVWBEAA-SNVBAGLBSA-N 2 2 279.344 -0.972 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001000793044 656764008 /nfs/dbraw/zinc/76/40/08/656764008.db2.gz CROSYVIWAIOBIJ-MNOVXSKESA-N 2 2 293.371 -0.285 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)N1CCC[C@@H]([NH2+]CC(N)=O)C1 ZINC001000819487 656767500 /nfs/dbraw/zinc/76/75/00/656767500.db2.gz SSEMZJCTSNZVDD-LLVKDONJSA-N 2 2 293.371 -0.581 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CCC[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001001057047 656792485 /nfs/dbraw/zinc/79/24/85/656792485.db2.gz TYDRSVYJYCALTI-NWDGAFQWSA-N 2 2 291.355 -0.648 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC001003318558 656854983 /nfs/dbraw/zinc/85/49/83/656854983.db2.gz LGILXFNPASPCJM-UHFFFAOYSA-N 2 2 279.344 -0.743 20 0 CBADLP COC(=O)[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[N@H+](C)C1 ZINC000910413833 656856737 /nfs/dbraw/zinc/85/67/37/656856737.db2.gz WMQNLOFRKNKYMD-JTQLQIEISA-N 2 2 280.328 -0.485 20 0 CBADLP COC(=O)[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[N@@H+](C)C1 ZINC000910413833 656856739 /nfs/dbraw/zinc/85/67/39/656856739.db2.gz WMQNLOFRKNKYMD-JTQLQIEISA-N 2 2 280.328 -0.485 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CCC(NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001003969929 656878929 /nfs/dbraw/zinc/87/89/29/656878929.db2.gz FNHVTTRJKYOVKI-JTQLQIEISA-N 2 2 293.371 -0.583 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CCC(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001004254980 656883013 /nfs/dbraw/zinc/88/30/13/656883013.db2.gz YZMPAHVLOBOTCR-JTQLQIEISA-N 2 2 279.344 -0.663 20 0 CBADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001004256409 656883557 /nfs/dbraw/zinc/88/35/57/656883557.db2.gz GFVHSLDMGHEKKR-UHFFFAOYSA-N 2 2 293.371 -0.448 20 0 CBADLP C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC000910929810 656902570 /nfs/dbraw/zinc/90/25/70/656902570.db2.gz ZGSKCJCPSKGBSZ-QWRGUYRKSA-N 2 2 266.345 -0.134 20 0 CBADLP C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC000910929810 656902581 /nfs/dbraw/zinc/90/25/81/656902581.db2.gz ZGSKCJCPSKGBSZ-QWRGUYRKSA-N 2 2 266.345 -0.134 20 0 CBADLP C[NH2+]CCN(C(=O)C(=O)NCCc1cn(C)c[nH+]1)C(C)C ZINC000911014408 656930382 /nfs/dbraw/zinc/93/03/82/656930382.db2.gz KJNUTGAJPQOAKS-UHFFFAOYSA-N 2 2 295.387 -0.465 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000911229660 656991803 /nfs/dbraw/zinc/99/18/03/656991803.db2.gz LGWDBSXKDSTQIH-MNOVXSKESA-N 2 2 279.344 -0.663 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000911231276 656994048 /nfs/dbraw/zinc/99/40/48/656994048.db2.gz ZDTUZDBONHYUQS-WDEREUQCSA-N 2 2 293.371 -0.417 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[NH+](CC(N)=O)C2)CC[N@@H+]1C ZINC001007368067 657007238 /nfs/dbraw/zinc/00/72/38/657007238.db2.gz AGYOUSZXBNVZIL-FRRDWIJNSA-N 2 2 296.415 -0.217 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[NH+](CC(N)=O)C2)CC[N@H+]1C ZINC001007368067 657007241 /nfs/dbraw/zinc/00/72/41/657007241.db2.gz AGYOUSZXBNVZIL-FRRDWIJNSA-N 2 2 296.415 -0.217 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[N@H+](CC(N)=O)C2)CC[NH+]1C ZINC001007368067 657007244 /nfs/dbraw/zinc/00/72/44/657007244.db2.gz AGYOUSZXBNVZIL-FRRDWIJNSA-N 2 2 296.415 -0.217 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)C2)CC[NH+]1C ZINC001007368067 657007250 /nfs/dbraw/zinc/00/72/50/657007250.db2.gz AGYOUSZXBNVZIL-FRRDWIJNSA-N 2 2 296.415 -0.217 20 0 CBADLP CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001008531199 657048431 /nfs/dbraw/zinc/04/84/31/657048431.db2.gz KRVWTDKLPGADCD-QWHCGFSZSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001008531199 657048432 /nfs/dbraw/zinc/04/84/32/657048432.db2.gz KRVWTDKLPGADCD-QWHCGFSZSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[NH+]1CCC[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001008531199 657048434 /nfs/dbraw/zinc/04/84/34/657048434.db2.gz KRVWTDKLPGADCD-QWHCGFSZSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[NH+]1CCC[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001008531199 657048441 /nfs/dbraw/zinc/04/84/41/657048441.db2.gz KRVWTDKLPGADCD-QWHCGFSZSA-N 2 2 296.415 -0.203 20 0 CBADLP O=C(NC1CC[NH2+]CC1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000911629290 657088665 /nfs/dbraw/zinc/08/86/65/657088665.db2.gz ILGQHBJHCUKZJE-KGLIPLIRSA-N 2 2 297.399 -0.266 20 0 CBADLP CC[NH2+]CCCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000911686981 657103794 /nfs/dbraw/zinc/10/37/94/657103794.db2.gz AQCPVEHHQMHJKE-KGLIPLIRSA-N 2 2 299.415 -0.018 20 0 CBADLP CN(CCN1CC[NH2+]CC1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000911776040 657127331 /nfs/dbraw/zinc/12/73/31/657127331.db2.gz SXJSIJIXSMEMDG-CHWSQXEVSA-N 2 2 291.399 -0.113 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC(=O)NC2CC2)C1 ZINC001010370175 657163546 /nfs/dbraw/zinc/16/35/46/657163546.db2.gz UHTDBZOWFQVQDX-QWHCGFSZSA-N 2 2 294.399 -0.450 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC(=O)NC2CC2)C1 ZINC001010370175 657163550 /nfs/dbraw/zinc/16/35/50/657163550.db2.gz UHTDBZOWFQVQDX-QWHCGFSZSA-N 2 2 294.399 -0.450 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001010370175 657163558 /nfs/dbraw/zinc/16/35/58/657163558.db2.gz UHTDBZOWFQVQDX-QWHCGFSZSA-N 2 2 294.399 -0.450 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001010370175 657163567 /nfs/dbraw/zinc/16/35/67/657163567.db2.gz UHTDBZOWFQVQDX-QWHCGFSZSA-N 2 2 294.399 -0.450 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC(=O)N2CCC2)C1 ZINC001010370255 657165732 /nfs/dbraw/zinc/16/57/32/657165732.db2.gz UYOAHEHKMOLGLJ-QWHCGFSZSA-N 2 2 294.399 -0.497 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC(=O)N2CCC2)C1 ZINC001010370255 657165743 /nfs/dbraw/zinc/16/57/43/657165743.db2.gz UYOAHEHKMOLGLJ-QWHCGFSZSA-N 2 2 294.399 -0.497 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001010370255 657165753 /nfs/dbraw/zinc/16/57/53/657165753.db2.gz UYOAHEHKMOLGLJ-QWHCGFSZSA-N 2 2 294.399 -0.497 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001010370255 657165761 /nfs/dbraw/zinc/16/57/61/657165761.db2.gz UYOAHEHKMOLGLJ-QWHCGFSZSA-N 2 2 294.399 -0.497 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N(C)CC[N@H+](C)CCO ZINC000912603746 657292443 /nfs/dbraw/zinc/29/24/43/657292443.db2.gz AXIDBXGATSSCBK-UHFFFAOYSA-N 2 2 254.334 -0.357 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N(C)CC[N@@H+](C)CCO ZINC000912603746 657292445 /nfs/dbraw/zinc/29/24/45/657292445.db2.gz AXIDBXGATSSCBK-UHFFFAOYSA-N 2 2 254.334 -0.357 20 0 CBADLP CN(CC[N@H+](C)CCO)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000912603888 657292765 /nfs/dbraw/zinc/29/27/65/657292765.db2.gz QASIHSPPQMBQLF-GFCCVEGCSA-N 2 2 280.372 -0.172 20 0 CBADLP CN(CC[N@@H+](C)CCO)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000912603888 657292774 /nfs/dbraw/zinc/29/27/74/657292774.db2.gz QASIHSPPQMBQLF-GFCCVEGCSA-N 2 2 280.372 -0.172 20 0 CBADLP CN(CC[N@H+](C)CCO)C(=O)CCc1c[nH+]cn1C ZINC000912604895 657294254 /nfs/dbraw/zinc/29/42/54/657294254.db2.gz VERJMPDCWPLUNB-UHFFFAOYSA-N 2 2 268.361 -0.265 20 0 CBADLP CN(CC[N@@H+](C)CCO)C(=O)CCc1c[nH+]cn1C ZINC000912604895 657294259 /nfs/dbraw/zinc/29/42/59/657294259.db2.gz VERJMPDCWPLUNB-UHFFFAOYSA-N 2 2 268.361 -0.265 20 0 CBADLP CN(CC[N@H+](C)CCO)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000912607142 657296321 /nfs/dbraw/zinc/29/63/21/657296321.db2.gz CFPVFOCTCIQURT-LBPRGKRZSA-N 2 2 280.372 -0.172 20 0 CBADLP CN(CC[N@@H+](C)CCO)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000912607142 657296323 /nfs/dbraw/zinc/29/63/23/657296323.db2.gz CFPVFOCTCIQURT-LBPRGKRZSA-N 2 2 280.372 -0.172 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000912737448 657321986 /nfs/dbraw/zinc/32/19/86/657321986.db2.gz LWRRJLWFYJZQME-NSHDSACASA-N 2 2 252.318 -0.674 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000912737448 657321995 /nfs/dbraw/zinc/32/19/95/657321995.db2.gz LWRRJLWFYJZQME-NSHDSACASA-N 2 2 252.318 -0.674 20 0 CBADLP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC(=O)NC)C1 ZINC001014636648 657372730 /nfs/dbraw/zinc/37/27/30/657372730.db2.gz ZSAMPOBJFUYPFM-OLZOCXBDSA-N 2 2 296.415 -0.203 20 0 CBADLP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC(=O)NC)C1 ZINC001014636648 657372732 /nfs/dbraw/zinc/37/27/32/657372732.db2.gz ZSAMPOBJFUYPFM-OLZOCXBDSA-N 2 2 296.415 -0.203 20 0 CBADLP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC(=O)NC)C1 ZINC001014636648 657372735 /nfs/dbraw/zinc/37/27/35/657372735.db2.gz ZSAMPOBJFUYPFM-OLZOCXBDSA-N 2 2 296.415 -0.203 20 0 CBADLP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001014636648 657372737 /nfs/dbraw/zinc/37/27/37/657372737.db2.gz ZSAMPOBJFUYPFM-OLZOCXBDSA-N 2 2 296.415 -0.203 20 0 CBADLP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@H]1CC[NH+](CC(N)=O)C1 ZINC001014724972 657379676 /nfs/dbraw/zinc/37/96/76/657379676.db2.gz YSKDIELHONCVJO-STQMWFEESA-N 2 2 296.415 -0.075 20 0 CBADLP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@H]1CC[NH+](CC(N)=O)C1 ZINC001014724972 657379681 /nfs/dbraw/zinc/37/96/81/657379681.db2.gz YSKDIELHONCVJO-STQMWFEESA-N 2 2 296.415 -0.075 20 0 CBADLP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001014724972 657379687 /nfs/dbraw/zinc/37/96/87/657379687.db2.gz YSKDIELHONCVJO-STQMWFEESA-N 2 2 296.415 -0.075 20 0 CBADLP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001014724972 657379691 /nfs/dbraw/zinc/37/96/91/657379691.db2.gz YSKDIELHONCVJO-STQMWFEESA-N 2 2 296.415 -0.075 20 0 CBADLP NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001014908708 657390004 /nfs/dbraw/zinc/39/00/04/657390004.db2.gz JKVYXJIGDBLQAW-GFCCVEGCSA-N 2 2 294.399 -0.462 20 0 CBADLP NC(=O)C[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001014908708 657390007 /nfs/dbraw/zinc/39/00/07/657390007.db2.gz JKVYXJIGDBLQAW-GFCCVEGCSA-N 2 2 294.399 -0.462 20 0 CBADLP C[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001015028262 657398786 /nfs/dbraw/zinc/39/87/86/657398786.db2.gz OBNNLCCNKSUHKT-MNOVXSKESA-N 2 2 296.371 -0.079 20 0 CBADLP C[C@@H](O)C[N@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001015028262 657398791 /nfs/dbraw/zinc/39/87/91/657398791.db2.gz OBNNLCCNKSUHKT-MNOVXSKESA-N 2 2 296.371 -0.079 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001015291483 657428575 /nfs/dbraw/zinc/42/85/75/657428575.db2.gz VHMPXGWIQBMDGI-GHMZBOCLSA-N 2 2 279.344 -0.744 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001015291483 657428576 /nfs/dbraw/zinc/42/85/76/657428576.db2.gz VHMPXGWIQBMDGI-GHMZBOCLSA-N 2 2 279.344 -0.744 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001015288797 657429439 /nfs/dbraw/zinc/42/94/39/657429439.db2.gz GLEQCEOMBXEWDN-NEPJUHHUSA-N 2 2 293.371 -0.354 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001015288797 657429446 /nfs/dbraw/zinc/42/94/46/657429446.db2.gz GLEQCEOMBXEWDN-NEPJUHHUSA-N 2 2 293.371 -0.354 20 0 CBADLP Cn1cc([C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC[NH2+]2)cn1 ZINC000913455871 657457067 /nfs/dbraw/zinc/45/70/67/657457067.db2.gz KIGAZQPCLRIXHX-ZDUSSCGKSA-N 2 2 289.383 -0.011 20 0 CBADLP CN(C[C@@H]1C[N@H+](C)CCO1)C(=O)[C@]1(C)C[C@@H](O)C[NH+]1C ZINC000913507874 657481052 /nfs/dbraw/zinc/48/10/52/657481052.db2.gz UJHLMARZVHSLNC-DYEKYZERSA-N 2 2 285.388 -0.770 20 0 CBADLP CN(C[C@@H]1C[N@@H+](C)CCO1)C(=O)[C@]1(C)C[C@@H](O)C[NH+]1C ZINC000913507874 657481055 /nfs/dbraw/zinc/48/10/55/657481055.db2.gz UJHLMARZVHSLNC-DYEKYZERSA-N 2 2 285.388 -0.770 20 0 CBADLP CN(C[C@@H]1C[NH+](C)CCO1)C(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000913507874 657481071 /nfs/dbraw/zinc/48/10/71/657481071.db2.gz UJHLMARZVHSLNC-DYEKYZERSA-N 2 2 285.388 -0.770 20 0 CBADLP CN(C[C@@H]1C[NH+](C)CCO1)C(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC000913507874 657481082 /nfs/dbraw/zinc/48/10/82/657481082.db2.gz UJHLMARZVHSLNC-DYEKYZERSA-N 2 2 285.388 -0.770 20 0 CBADLP C[C@@H]1[C@H](C(=O)N2CC[NH+](C)[C@@H](CO)C2)CC[N@@H+]1C ZINC000913541203 657500970 /nfs/dbraw/zinc/50/09/70/657500970.db2.gz HOYVWRHIIDTGKC-IJLUTSLNSA-N 2 2 255.362 -0.539 20 0 CBADLP C[C@@H]1[C@H](C(=O)N2CC[NH+](C)[C@@H](CO)C2)CC[N@H+]1C ZINC000913541203 657500980 /nfs/dbraw/zinc/50/09/80/657500980.db2.gz HOYVWRHIIDTGKC-IJLUTSLNSA-N 2 2 255.362 -0.539 20 0 CBADLP C[C@@H]1[C@H](C(=O)N2CC[N@H+](C)[C@@H](CO)C2)CC[NH+]1C ZINC000913541203 657500987 /nfs/dbraw/zinc/50/09/87/657500987.db2.gz HOYVWRHIIDTGKC-IJLUTSLNSA-N 2 2 255.362 -0.539 20 0 CBADLP C[C@@H]1[C@H](C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)CC[NH+]1C ZINC000913541203 657500997 /nfs/dbraw/zinc/50/09/97/657500997.db2.gz HOYVWRHIIDTGKC-IJLUTSLNSA-N 2 2 255.362 -0.539 20 0 CBADLP C[N@H+](CC(=O)N1CC[NH+](C)[C@H](CO)C1)C1CCC1 ZINC000913541479 657503509 /nfs/dbraw/zinc/50/35/09/657503509.db2.gz NIPNSNPPLAISIM-LBPRGKRZSA-N 2 2 255.362 -0.394 20 0 CBADLP C[N@@H+](CC(=O)N1CC[NH+](C)[C@H](CO)C1)C1CCC1 ZINC000913541479 657503514 /nfs/dbraw/zinc/50/35/14/657503514.db2.gz NIPNSNPPLAISIM-LBPRGKRZSA-N 2 2 255.362 -0.394 20 0 CBADLP C[NH+](CC(=O)N1CC[N@H+](C)[C@H](CO)C1)C1CCC1 ZINC000913541479 657503520 /nfs/dbraw/zinc/50/35/20/657503520.db2.gz NIPNSNPPLAISIM-LBPRGKRZSA-N 2 2 255.362 -0.394 20 0 CBADLP C[NH+](CC(=O)N1CC[N@@H+](C)[C@H](CO)C1)C1CCC1 ZINC000913541479 657503528 /nfs/dbraw/zinc/50/35/28/657503528.db2.gz NIPNSNPPLAISIM-LBPRGKRZSA-N 2 2 255.362 -0.394 20 0 CBADLP C[NH+](C)Cc1ccc(C(=O)N2CC[N@H+](C)[C@H](CO)C2)cn1 ZINC000913543210 657514782 /nfs/dbraw/zinc/51/47/82/657514782.db2.gz BTWXYQSJETYWSC-AWEZNQCLSA-N 2 2 292.383 -0.108 20 0 CBADLP C[NH+](C)Cc1ccc(C(=O)N2CC[N@@H+](C)[C@H](CO)C2)cn1 ZINC000913543210 657514797 /nfs/dbraw/zinc/51/47/97/657514797.db2.gz BTWXYQSJETYWSC-AWEZNQCLSA-N 2 2 292.383 -0.108 20 0 CBADLP C[N@@H+]1CCN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1CO ZINC000913544845 657521912 /nfs/dbraw/zinc/52/19/12/657521912.db2.gz NNYGGUJRQJHBSK-AWEZNQCLSA-N 2 2 299.415 -0.376 20 0 CBADLP C[N@H+]1CCN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1CO ZINC000913544845 657521916 /nfs/dbraw/zinc/52/19/16/657521916.db2.gz NNYGGUJRQJHBSK-AWEZNQCLSA-N 2 2 299.415 -0.376 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001015705180 657524805 /nfs/dbraw/zinc/52/48/05/657524805.db2.gz IPVQTCFUYGUAGL-NWDGAFQWSA-N 2 2 282.388 -0.735 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001015705180 657524811 /nfs/dbraw/zinc/52/48/11/657524811.db2.gz IPVQTCFUYGUAGL-NWDGAFQWSA-N 2 2 282.388 -0.735 20 0 CBADLP CNC(=O)C[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001015705180 657524815 /nfs/dbraw/zinc/52/48/15/657524815.db2.gz IPVQTCFUYGUAGL-NWDGAFQWSA-N 2 2 282.388 -0.735 20 0 CBADLP CNC(=O)C[NH+]1CC[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001015705180 657524820 /nfs/dbraw/zinc/52/48/20/657524820.db2.gz IPVQTCFUYGUAGL-NWDGAFQWSA-N 2 2 282.388 -0.735 20 0 CBADLP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CC[NH+](C)[C@@H](CO)C1 ZINC000913547988 657529653 /nfs/dbraw/zinc/52/96/53/657529653.db2.gz AGBSQIWJGQYQNT-FRRDWIJNSA-N 2 2 269.389 -0.006 20 0 CBADLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CC[NH+](C)[C@@H](CO)C1 ZINC000913547988 657529664 /nfs/dbraw/zinc/52/96/64/657529664.db2.gz AGBSQIWJGQYQNT-FRRDWIJNSA-N 2 2 269.389 -0.006 20 0 CBADLP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000913547988 657529672 /nfs/dbraw/zinc/52/96/72/657529672.db2.gz AGBSQIWJGQYQNT-FRRDWIJNSA-N 2 2 269.389 -0.006 20 0 CBADLP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000913547988 657529677 /nfs/dbraw/zinc/52/96/77/657529677.db2.gz AGBSQIWJGQYQNT-FRRDWIJNSA-N 2 2 269.389 -0.006 20 0 CBADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1CC[N@H+](CCO)C1 ZINC001015721167 657530948 /nfs/dbraw/zinc/53/09/48/657530948.db2.gz CWYBMFULXHTMPD-QJPTWQEYSA-N 2 2 278.356 -0.294 20 0 CBADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1CC[N@@H+](CCO)C1 ZINC001015721167 657530962 /nfs/dbraw/zinc/53/09/62/657530962.db2.gz CWYBMFULXHTMPD-QJPTWQEYSA-N 2 2 278.356 -0.294 20 0 CBADLP C[N@@H+]1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@@H]1CO ZINC000913555374 657548281 /nfs/dbraw/zinc/54/82/81/657548281.db2.gz BLDVOEPISXTUNQ-CYBMUJFWSA-N 2 2 299.415 -0.520 20 0 CBADLP C[N@H+]1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@@H]1CO ZINC000913555374 657548285 /nfs/dbraw/zinc/54/82/85/657548285.db2.gz BLDVOEPISXTUNQ-CYBMUJFWSA-N 2 2 299.415 -0.520 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001015792751 657550628 /nfs/dbraw/zinc/55/06/28/657550628.db2.gz CXTDNEKDVKNKEN-CYBMUJFWSA-N 2 2 296.415 -0.345 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001015792751 657550637 /nfs/dbraw/zinc/55/06/37/657550637.db2.gz CXTDNEKDVKNKEN-CYBMUJFWSA-N 2 2 296.415 -0.345 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)NC23CC[NH+](CC2)C3)C1 ZINC000913630846 657567753 /nfs/dbraw/zinc/56/77/53/657567753.db2.gz KXJUEGHXAUIBFF-LLVKDONJSA-N 2 2 253.346 -0.329 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)NC23CC[NH+](CC2)C3)C1 ZINC000913630846 657567762 /nfs/dbraw/zinc/56/77/62/657567762.db2.gz KXJUEGHXAUIBFF-LLVKDONJSA-N 2 2 253.346 -0.329 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001016252830 657669398 /nfs/dbraw/zinc/66/93/98/657669398.db2.gz VEBUBVTXHJMYNH-NWDGAFQWSA-N 2 2 282.388 -0.593 20 0 CBADLP CNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001016252830 657669410 /nfs/dbraw/zinc/66/94/10/657669410.db2.gz VEBUBVTXHJMYNH-NWDGAFQWSA-N 2 2 282.388 -0.593 20 0 CBADLP O=C(C[NH+]1CCCC1)N[C@@H]1CC[N@H+](CCn2cncn2)C1 ZINC001016252809 657671609 /nfs/dbraw/zinc/67/16/09/657671609.db2.gz VCBMDTXDDAXLQU-CYBMUJFWSA-N 2 2 292.387 -0.436 20 0 CBADLP O=C(C[NH+]1CCCC1)N[C@@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001016252809 657671622 /nfs/dbraw/zinc/67/16/22/657671622.db2.gz VCBMDTXDDAXLQU-CYBMUJFWSA-N 2 2 292.387 -0.436 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001016250705 657671920 /nfs/dbraw/zinc/67/19/20/657671920.db2.gz FPILYEFTXFJWFL-NEPJUHHUSA-N 2 2 282.388 -0.463 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001016250705 657671923 /nfs/dbraw/zinc/67/19/23/657671923.db2.gz FPILYEFTXFJWFL-NEPJUHHUSA-N 2 2 282.388 -0.463 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001016260992 657674380 /nfs/dbraw/zinc/67/43/80/657674380.db2.gz TVDQDPZHGPPJGB-JQWIXIFHSA-N 2 2 293.371 -0.483 20 0 CBADLP CNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001016260992 657674389 /nfs/dbraw/zinc/67/43/89/657674389.db2.gz TVDQDPZHGPPJGB-JQWIXIFHSA-N 2 2 293.371 -0.483 20 0 CBADLP Cn1nncc1C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001016254726 657675753 /nfs/dbraw/zinc/67/57/53/657675753.db2.gz KELIOZSCNYYZOH-NWDGAFQWSA-N 2 2 292.387 -0.543 20 0 CBADLP Cn1nncc1C[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001016254726 657675757 /nfs/dbraw/zinc/67/57/57/657675757.db2.gz KELIOZSCNYYZOH-NWDGAFQWSA-N 2 2 292.387 -0.543 20 0 CBADLP Cn1nncc1C[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001016254726 657675764 /nfs/dbraw/zinc/67/57/64/657675764.db2.gz KELIOZSCNYYZOH-NWDGAFQWSA-N 2 2 292.387 -0.543 20 0 CBADLP Cn1nncc1C[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001016254726 657675783 /nfs/dbraw/zinc/67/57/83/657675783.db2.gz KELIOZSCNYYZOH-NWDGAFQWSA-N 2 2 292.387 -0.543 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001016260994 657676259 /nfs/dbraw/zinc/67/62/59/657676259.db2.gz TVDQDPZHGPPJGB-ZYHUDNBSSA-N 2 2 293.371 -0.483 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001016260994 657676263 /nfs/dbraw/zinc/67/62/63/657676263.db2.gz TVDQDPZHGPPJGB-ZYHUDNBSSA-N 2 2 293.371 -0.483 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@H+](CCn2cccn2)C1 ZINC001016398504 657699809 /nfs/dbraw/zinc/69/98/09/657699809.db2.gz TUOLOBQRTGBAJI-CYBMUJFWSA-N 2 2 288.355 -0.030 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@@H+](CCn2cccn2)C1 ZINC001016398504 657699813 /nfs/dbraw/zinc/69/98/13/657699813.db2.gz TUOLOBQRTGBAJI-CYBMUJFWSA-N 2 2 288.355 -0.030 20 0 CBADLP Cc1cc(NC[C@H](O)C[NH+]2CCOCC2)nc(N)[nH+]1 ZINC000914570914 657712179 /nfs/dbraw/zinc/71/21/79/657712179.db2.gz LASAOEXMSBROPP-JTQLQIEISA-N 2 2 267.333 -0.528 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)NC[C@@H]2CC[NH+]2C)CCO1 ZINC000915826961 657750974 /nfs/dbraw/zinc/75/09/74/657750974.db2.gz GCDKOEFWOYOKAJ-RYUDHWBXSA-N 2 2 270.377 -0.290 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)NC[C@@H]2CC[NH+]2C)CCO1 ZINC000915826961 657750982 /nfs/dbraw/zinc/75/09/82/657750982.db2.gz GCDKOEFWOYOKAJ-RYUDHWBXSA-N 2 2 270.377 -0.290 20 0 CBADLP C[C@H]1C[NH+](CCNC(=O)NC[C@@H]2CC[N@@H+]2C)CCO1 ZINC000915826961 657750991 /nfs/dbraw/zinc/75/09/91/657750991.db2.gz GCDKOEFWOYOKAJ-RYUDHWBXSA-N 2 2 270.377 -0.290 20 0 CBADLP C[C@H]1C[NH+](CCNC(=O)NC[C@@H]2CC[N@H+]2C)CCO1 ZINC000915826961 657751005 /nfs/dbraw/zinc/75/10/05/657751005.db2.gz GCDKOEFWOYOKAJ-RYUDHWBXSA-N 2 2 270.377 -0.290 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)NC[C@H]2CC[NH+]2C)CCO1 ZINC000915826959 657751071 /nfs/dbraw/zinc/75/10/71/657751071.db2.gz GCDKOEFWOYOKAJ-NWDGAFQWSA-N 2 2 270.377 -0.290 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)NC[C@H]2CC[NH+]2C)CCO1 ZINC000915826959 657751076 /nfs/dbraw/zinc/75/10/76/657751076.db2.gz GCDKOEFWOYOKAJ-NWDGAFQWSA-N 2 2 270.377 -0.290 20 0 CBADLP C[C@H]1C[NH+](CCNC(=O)NC[C@H]2CC[N@@H+]2C)CCO1 ZINC000915826959 657751091 /nfs/dbraw/zinc/75/10/91/657751091.db2.gz GCDKOEFWOYOKAJ-NWDGAFQWSA-N 2 2 270.377 -0.290 20 0 CBADLP C[C@H]1C[NH+](CCNC(=O)NC[C@H]2CC[N@H+]2C)CCO1 ZINC000915826959 657751108 /nfs/dbraw/zinc/75/11/08/657751108.db2.gz GCDKOEFWOYOKAJ-NWDGAFQWSA-N 2 2 270.377 -0.290 20 0 CBADLP C[C@H](CNC(=O)NC[C@@H]1CC[N@@H+]1C)C[NH+]1CCOCC1 ZINC000919731841 657858857 /nfs/dbraw/zinc/85/88/57/657858857.db2.gz BEWRHBVUKVVDQC-OLZOCXBDSA-N 2 2 284.404 -0.042 20 0 CBADLP C[C@H](CNC(=O)NC[C@@H]1CC[N@H+]1C)C[NH+]1CCOCC1 ZINC000919731841 657858859 /nfs/dbraw/zinc/85/88/59/657858859.db2.gz BEWRHBVUKVVDQC-OLZOCXBDSA-N 2 2 284.404 -0.042 20 0 CBADLP C[NH+](C)Cc1cc(C(=O)N2CC[C@H]([NH2+]CC(N)=O)C2)no1 ZINC001019070096 657860970 /nfs/dbraw/zinc/86/09/70/657860970.db2.gz YFCQPMWWIKYDFG-VIFPVBQESA-N 2 2 295.343 -0.974 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)N1CC[C@H]([NH2+]CCO)C1 ZINC001019181577 657869840 /nfs/dbraw/zinc/86/98/40/657869840.db2.gz PWQRNCVDTXHLJI-NSHDSACASA-N 2 2 266.345 -0.465 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001019564509 657912988 /nfs/dbraw/zinc/91/29/88/657912988.db2.gz SZKZHXFBMGOTMA-UWVGGRQHSA-N 2 2 277.328 -0.969 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@H]([NH2+]CCn2cncn2)C1 ZINC001019566116 657913664 /nfs/dbraw/zinc/91/36/64/657913664.db2.gz SKKPNRMCRAMXGY-NSHDSACASA-N 2 2 289.343 -0.566 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]([NH2+]C[C@H](C)O)C1 ZINC001019707542 657931157 /nfs/dbraw/zinc/93/11/57/657931157.db2.gz JZKRGNXMOOBZET-ONGXEEELSA-N 2 2 266.345 -0.168 20 0 CBADLP CC[N@@H+]1CC[C@@H]1CNC(=O)[C@]1(C)C[C@H](O)C[NH+]1C ZINC000922161169 658010400 /nfs/dbraw/zinc/01/04/00/658010400.db2.gz UFHFQDHOFRYGHK-MDZLAQPJSA-N 2 2 255.362 -0.348 20 0 CBADLP CC[N@H+]1CC[C@@H]1CNC(=O)[C@]1(C)C[C@H](O)C[NH+]1C ZINC000922161169 658010420 /nfs/dbraw/zinc/01/04/20/658010420.db2.gz UFHFQDHOFRYGHK-MDZLAQPJSA-N 2 2 255.362 -0.348 20 0 CBADLP CC[NH+]1CC[C@@H]1CNC(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC000922161169 658010433 /nfs/dbraw/zinc/01/04/33/658010433.db2.gz UFHFQDHOFRYGHK-MDZLAQPJSA-N 2 2 255.362 -0.348 20 0 CBADLP CC[NH+]1CC[C@@H]1CNC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC000922161169 658010447 /nfs/dbraw/zinc/01/04/47/658010447.db2.gz UFHFQDHOFRYGHK-MDZLAQPJSA-N 2 2 255.362 -0.348 20 0 CBADLP CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@]1(C)C[C@@H](O)C[NH+]1C ZINC000922161170 658010883 /nfs/dbraw/zinc/01/08/83/658010883.db2.gz UFHFQDHOFRYGHK-NQBHXWOUSA-N 2 2 255.362 -0.348 20 0 CBADLP CC[N@H+]1CC[C@@H]1CNC(=O)[C@@]1(C)C[C@@H](O)C[NH+]1C ZINC000922161170 658010896 /nfs/dbraw/zinc/01/08/96/658010896.db2.gz UFHFQDHOFRYGHK-NQBHXWOUSA-N 2 2 255.362 -0.348 20 0 CBADLP CC[NH+]1CC[C@@H]1CNC(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000922161170 658010907 /nfs/dbraw/zinc/01/09/07/658010907.db2.gz UFHFQDHOFRYGHK-NQBHXWOUSA-N 2 2 255.362 -0.348 20 0 CBADLP CC[NH+]1CC[C@@H]1CNC(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC000922161170 658010923 /nfs/dbraw/zinc/01/09/23/658010923.db2.gz UFHFQDHOFRYGHK-NQBHXWOUSA-N 2 2 255.362 -0.348 20 0 CBADLP O=C(N[C@H]1C[C@H]([NH2+]CCO)C1)[C@H]1CCn2cc[nH+]c2C1 ZINC001020312792 658036591 /nfs/dbraw/zinc/03/65/91/658036591.db2.gz UKCDAXFAHOTEKG-SRVKXCTJSA-N 2 2 278.356 -0.325 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1C[C@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001020635146 658082105 /nfs/dbraw/zinc/08/21/05/658082105.db2.gz GXPSVXQTBLADAV-NHCYSSNCSA-N 2 2 291.355 -0.532 20 0 CBADLP Cn1c[nH+]c(CCNC(=O)NC[C@@H]2CC[N@@H+]2C)c1 ZINC000922821224 658086667 /nfs/dbraw/zinc/08/66/67/658086667.db2.gz IIPUHKKQPLMIQE-NSHDSACASA-N 2 2 251.334 -0.034 20 0 CBADLP Cn1c[nH+]c(CCNC(=O)NC[C@@H]2CC[N@H+]2C)c1 ZINC000922821224 658086682 /nfs/dbraw/zinc/08/66/82/658086682.db2.gz IIPUHKKQPLMIQE-NSHDSACASA-N 2 2 251.334 -0.034 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001020817517 658093610 /nfs/dbraw/zinc/09/36/10/658093610.db2.gz WWWLIJVGXVLXJQ-OPRDCNLKSA-N 2 2 277.328 -0.923 20 0 CBADLP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1)C(N)=O ZINC001020818592 658095096 /nfs/dbraw/zinc/09/50/96/658095096.db2.gz UHCVIHGZPJRCGZ-IWSPIJDZSA-N 2 2 265.317 -0.937 20 0 CBADLP C[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001020819392 658096257 /nfs/dbraw/zinc/09/62/57/658096257.db2.gz XKGPPKAQYMMOLD-GUBZILKMSA-N 2 2 252.318 -0.430 20 0 CBADLP C[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001020929557 658119476 /nfs/dbraw/zinc/11/94/76/658119476.db2.gz BFBJGZZELXLZDP-DCAQKATOSA-N 2 2 266.345 -0.420 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001021126738 658155133 /nfs/dbraw/zinc/15/51/33/658155133.db2.gz VUISRJMWQJRFMB-GMTAPVOTSA-N 2 2 277.328 -0.992 20 0 CBADLP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CCO[C@@H](Cn3cccn3)C2)C1 ZINC000923323587 658208269 /nfs/dbraw/zinc/20/82/69/658208269.db2.gz VBEYBIVDFYBZJX-RNJOBUHISA-N 2 2 266.345 -0.566 20 0 CBADLP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CCO[C@@H](Cn3cccn3)C2)C1 ZINC000923323587 658208286 /nfs/dbraw/zinc/20/82/86/658208286.db2.gz VBEYBIVDFYBZJX-RNJOBUHISA-N 2 2 266.345 -0.566 20 0 CBADLP C[C@@H]1C[N@H+](C[C@H](O)COC[C@H]2CCCO2)C[C@H]1[NH3+] ZINC000923365891 658232436 /nfs/dbraw/zinc/23/24/36/658232436.db2.gz HSWCLYSFUZSWME-YVECIDJPSA-N 2 2 258.362 -0.178 20 0 CBADLP C[C@@H]1C[N@@H+](C[C@H](O)COC[C@H]2CCCO2)C[C@H]1[NH3+] ZINC000923365891 658232470 /nfs/dbraw/zinc/23/24/70/658232470.db2.gz HSWCLYSFUZSWME-YVECIDJPSA-N 2 2 258.362 -0.178 20 0 CBADLP COC(=O)C[C@H]1C[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC000923373764 658238642 /nfs/dbraw/zinc/23/86/42/658238642.db2.gz QZJMWKWFMOXUFA-NWDGAFQWSA-N 2 2 284.356 -0.371 20 0 CBADLP COC(=O)C[C@H]1C[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC000923373764 658238659 /nfs/dbraw/zinc/23/86/59/658238659.db2.gz QZJMWKWFMOXUFA-NWDGAFQWSA-N 2 2 284.356 -0.371 20 0 CBADLP COC(=O)[C@@H]1C[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC000923369316 658241145 /nfs/dbraw/zinc/24/11/45/658241145.db2.gz IJWSWUVXWHREFV-MNOVXSKESA-N 2 2 270.329 -0.761 20 0 CBADLP COC(=O)[C@@H]1C[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC000923369316 658241172 /nfs/dbraw/zinc/24/11/72/658241172.db2.gz IJWSWUVXWHREFV-MNOVXSKESA-N 2 2 270.329 -0.761 20 0 CBADLP COCCOC[C@@H](O)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000923397778 658252885 /nfs/dbraw/zinc/25/28/85/658252885.db2.gz DVTOHNFADFNMCH-NWDGAFQWSA-N 2 2 258.362 -0.116 20 0 CBADLP Cn1cc(C[N@H+](C)C[C@H]2CC3(C[NH2+]C3)CO2)nn1 ZINC000923391173 658253810 /nfs/dbraw/zinc/25/38/10/658253810.db2.gz WMCQWZJCJQPSBH-LLVKDONJSA-N 2 2 251.334 -0.375 20 0 CBADLP Cn1cc(C[N@@H+](C)C[C@H]2CC3(C[NH2+]C3)CO2)nn1 ZINC000923391173 658253828 /nfs/dbraw/zinc/25/38/28/658253828.db2.gz WMCQWZJCJQPSBH-LLVKDONJSA-N 2 2 251.334 -0.375 20 0 CBADLP [NH3+]CC12CC(C1)C[N@@H+]2C[C@H](O)COC[C@@H]1CCCO1 ZINC000923391189 658254117 /nfs/dbraw/zinc/25/41/17/658254117.db2.gz MLXJREYPYZOXOB-QPPOZKHWSA-N 2 2 270.373 -0.034 20 0 CBADLP [NH3+]CC12CC(C1)C[N@H+]2C[C@H](O)COC[C@@H]1CCCO1 ZINC000923391189 658254142 /nfs/dbraw/zinc/25/41/42/658254142.db2.gz MLXJREYPYZOXOB-QPPOZKHWSA-N 2 2 270.373 -0.034 20 0 CBADLP COCCOC[C@@H](O)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000923397779 658254886 /nfs/dbraw/zinc/25/48/86/658254886.db2.gz DVTOHNFADFNMCH-RYUDHWBXSA-N 2 2 258.362 -0.116 20 0 CBADLP C[C@H]1CN[C@@H](C)[C@H](C)[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000923436949 658281340 /nfs/dbraw/zinc/28/13/40/658281340.db2.gz QWFFSYWYFWKUCC-AVGNSLFASA-N 2 2 268.405 -0.121 20 0 CBADLP C[C@H]1CN[C@@H](C)[C@H](C)[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000923436949 658281355 /nfs/dbraw/zinc/28/13/55/658281355.db2.gz QWFFSYWYFWKUCC-AVGNSLFASA-N 2 2 268.405 -0.121 20 0 CBADLP CC(C)OCC[C@@H](O)C[N@@H+]1CCC[C@]([NH3+])(CO)C1 ZINC000923472002 658298641 /nfs/dbraw/zinc/29/86/41/658298641.db2.gz MIRFXKNRSDBFBG-CHWSQXEVSA-N 2 2 260.378 -0.052 20 0 CBADLP CC(C)OCC[C@@H](O)C[N@H+]1CCC[C@]([NH3+])(CO)C1 ZINC000923472002 658298678 /nfs/dbraw/zinc/29/86/78/658298678.db2.gz MIRFXKNRSDBFBG-CHWSQXEVSA-N 2 2 260.378 -0.052 20 0 CBADLP C[C@@H]1C[NH+](CCCNS(=O)(=O)C2C[NH2+]C2)C[C@@H](C)O1 ZINC000923584785 658338282 /nfs/dbraw/zinc/33/82/82/658338282.db2.gz XMNZUPYEQTUUIH-GHMZBOCLSA-N 2 2 291.417 -0.623 20 0 CBADLP Cc1cc(CNS(=O)(=O)N2CC[NH2+]CC2)cc(C)[nH+]1 ZINC000923647228 658374624 /nfs/dbraw/zinc/37/46/24/658374624.db2.gz BGRGQSFYVGTSFP-UHFFFAOYSA-N 2 2 284.385 -0.062 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NC[C@@H]1COCO1 ZINC000923841469 658512951 /nfs/dbraw/zinc/51/29/51/658512951.db2.gz YAJULIWVQHVFJJ-GFCCVEGCSA-N 2 2 288.392 -0.458 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NC[C@@H]1COCO1 ZINC000923841469 658512967 /nfs/dbraw/zinc/51/29/67/658512967.db2.gz YAJULIWVQHVFJJ-GFCCVEGCSA-N 2 2 288.392 -0.458 20 0 CBADLP C[NH+](C)C[C@@H]1NC(=O)N(CCC[NH+]2CCOCC2)C1=O ZINC000924430112 658599391 /nfs/dbraw/zinc/59/93/91/658599391.db2.gz IOTQYEKADBMALS-NSHDSACASA-N 2 2 284.360 -0.809 20 0 CBADLP CC[N@@H+]1CCO[C@H](CN2C(=O)N[C@@H](C[NH+](C)C)C2=O)C1 ZINC000924606103 658620604 /nfs/dbraw/zinc/62/06/04/658620604.db2.gz AOZHOAZSNJTASD-QWRGUYRKSA-N 2 2 284.360 -0.811 20 0 CBADLP CC[N@H+]1CCO[C@H](CN2C(=O)N[C@@H](C[NH+](C)C)C2=O)C1 ZINC000924606103 658620625 /nfs/dbraw/zinc/62/06/25/658620625.db2.gz AOZHOAZSNJTASD-QWRGUYRKSA-N 2 2 284.360 -0.811 20 0 CBADLP CC1(C)CNC(=O)[C@H]1[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000924754540 658636555 /nfs/dbraw/zinc/63/65/55/658636555.db2.gz GIPCKLPNFRUPIL-VXGBXAGGSA-N 2 2 269.389 -0.053 20 0 CBADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)C(C)(C)CO ZINC000924842386 658644896 /nfs/dbraw/zinc/64/48/96/658644896.db2.gz SEJFWPLRAQRUBR-LLVKDONJSA-N 2 2 257.378 -0.243 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CCOC23CCOCC3)CC1 ZINC000924840404 658645103 /nfs/dbraw/zinc/64/51/03/658645103.db2.gz VMHQRKXHUHGARJ-ZDUSSCGKSA-N 2 2 297.399 -0.312 20 0 CBADLP C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1cc(CO)on1 ZINC000924945405 658668632 /nfs/dbraw/zinc/66/86/32/658668632.db2.gz GGGVFPAMPOQAHB-NSHDSACASA-N 2 2 296.371 -0.018 20 0 CBADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC000961825080 658834841 /nfs/dbraw/zinc/83/48/41/658834841.db2.gz LLIUOOOZYDJZPY-SSKLVLDBSA-N 2 2 290.367 -0.438 20 0 CBADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC000961825080 658834844 /nfs/dbraw/zinc/83/48/44/658834844.db2.gz LLIUOOOZYDJZPY-SSKLVLDBSA-N 2 2 290.367 -0.438 20 0 CBADLP CC[C@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2CC[N@@H+]2C)CC1 ZINC000925412642 658842451 /nfs/dbraw/zinc/84/24/51/658842451.db2.gz BZJHSYCXALVHOU-STQMWFEESA-N 2 2 284.404 -0.211 20 0 CBADLP CC[C@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2CC[N@H+]2C)CC1 ZINC000925412642 658842455 /nfs/dbraw/zinc/84/24/55/658842455.db2.gz BZJHSYCXALVHOU-STQMWFEESA-N 2 2 284.404 -0.211 20 0 CBADLP C[N@@H+]1CC[C@H]1CNC(=O)NCC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000925429839 658849460 /nfs/dbraw/zinc/84/94/60/658849460.db2.gz JQBGRDOVMPHQMR-RWMBFGLXSA-N 2 2 282.388 -0.147 20 0 CBADLP C[N@H+]1CC[C@H]1CNC(=O)NCC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000925429839 658849463 /nfs/dbraw/zinc/84/94/63/658849463.db2.gz JQBGRDOVMPHQMR-RWMBFGLXSA-N 2 2 282.388 -0.147 20 0 CBADLP C[NH+]1CC[C@H]1CNC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000925429839 658849465 /nfs/dbraw/zinc/84/94/65/658849465.db2.gz JQBGRDOVMPHQMR-RWMBFGLXSA-N 2 2 282.388 -0.147 20 0 CBADLP C[NH+]1CC[C@H]1CNC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000925429839 658849469 /nfs/dbraw/zinc/84/94/69/658849469.db2.gz JQBGRDOVMPHQMR-RWMBFGLXSA-N 2 2 282.388 -0.147 20 0 CBADLP CN(C[C@H]1C[NH+](C)CCO1)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000925429813 658850339 /nfs/dbraw/zinc/85/03/39/658850339.db2.gz QDPUXDHPGBIYKN-VXGBXAGGSA-N 2 2 270.377 -0.338 20 0 CBADLP CN(C[C@H]1C[N@H+](C)CCO1)C(=O)NC[C@H]1CC[NH+]1C ZINC000925429813 658850337 /nfs/dbraw/zinc/85/03/37/658850337.db2.gz QDPUXDHPGBIYKN-VXGBXAGGSA-N 2 2 270.377 -0.338 20 0 CBADLP CN(C[C@H]1C[N@@H+](C)CCO1)C(=O)NC[C@H]1CC[NH+]1C ZINC000925429813 658850338 /nfs/dbraw/zinc/85/03/38/658850338.db2.gz QDPUXDHPGBIYKN-VXGBXAGGSA-N 2 2 270.377 -0.338 20 0 CBADLP CN(C[C@H]1C[NH+](C)CCO1)C(=O)NC[C@H]1CC[N@H+]1C ZINC000925429813 658850341 /nfs/dbraw/zinc/85/03/41/658850341.db2.gz QDPUXDHPGBIYKN-VXGBXAGGSA-N 2 2 270.377 -0.338 20 0 CBADLP C[C@H]1C[N@H+](CCO)CCN1C(=O)NC[C@@H]1CC[NH+]1C ZINC000925431946 658850940 /nfs/dbraw/zinc/85/09/40/658850940.db2.gz OPWDVCKEVZDRKG-RYUDHWBXSA-N 2 2 270.377 -0.602 20 0 CBADLP C[C@H]1C[N@@H+](CCO)CCN1C(=O)NC[C@@H]1CC[NH+]1C ZINC000925431946 658850943 /nfs/dbraw/zinc/85/09/43/658850943.db2.gz OPWDVCKEVZDRKG-RYUDHWBXSA-N 2 2 270.377 -0.602 20 0 CBADLP C[C@H]1C[NH+](CCO)CCN1C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000925431946 658850947 /nfs/dbraw/zinc/85/09/47/658850947.db2.gz OPWDVCKEVZDRKG-RYUDHWBXSA-N 2 2 270.377 -0.602 20 0 CBADLP C[C@H]1C[NH+](CCO)CCN1C(=O)NC[C@@H]1CC[N@H+]1C ZINC000925431946 658850949 /nfs/dbraw/zinc/85/09/49/658850949.db2.gz OPWDVCKEVZDRKG-RYUDHWBXSA-N 2 2 270.377 -0.602 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC000962400894 658851714 /nfs/dbraw/zinc/85/17/14/658851714.db2.gz AXXLCVJFFZTAGQ-YABSGUDNSA-N 2 2 278.356 -0.311 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC000962400894 658851716 /nfs/dbraw/zinc/85/17/16/658851716.db2.gz AXXLCVJFFZTAGQ-YABSGUDNSA-N 2 2 278.356 -0.311 20 0 CBADLP C[C@@H]1C[N@H+](CCO)CCN1C(=O)NC[C@H]1CC[NH+]1C ZINC000925431947 658851801 /nfs/dbraw/zinc/85/18/01/658851801.db2.gz OPWDVCKEVZDRKG-VXGBXAGGSA-N 2 2 270.377 -0.602 20 0 CBADLP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NC[C@H]1CC[NH+]1C ZINC000925431947 658851804 /nfs/dbraw/zinc/85/18/04/658851804.db2.gz OPWDVCKEVZDRKG-VXGBXAGGSA-N 2 2 270.377 -0.602 20 0 CBADLP C[C@@H]1C[NH+](CCO)CCN1C(=O)NC[C@H]1CC[N@@H+]1C ZINC000925431947 658851811 /nfs/dbraw/zinc/85/18/11/658851811.db2.gz OPWDVCKEVZDRKG-VXGBXAGGSA-N 2 2 270.377 -0.602 20 0 CBADLP C[C@@H]1C[NH+](CCO)CCN1C(=O)NC[C@H]1CC[N@H+]1C ZINC000925431947 658851814 /nfs/dbraw/zinc/85/18/14/658851814.db2.gz OPWDVCKEVZDRKG-VXGBXAGGSA-N 2 2 270.377 -0.602 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NC[C@@H]1CC[NH+]1C ZINC000925434835 658854487 /nfs/dbraw/zinc/85/44/87/658854487.db2.gz NOOJFYTZEMISIP-ZDUSSCGKSA-N 3 2 285.436 -0.127 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NC[C@@H]1CC[NH+]1C ZINC000925434835 658854491 /nfs/dbraw/zinc/85/44/91/658854491.db2.gz NOOJFYTZEMISIP-ZDUSSCGKSA-N 3 2 285.436 -0.127 20 0 CBADLP C[NH+](C)CCC[NH+](C)CCNC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000925434835 658854496 /nfs/dbraw/zinc/85/44/96/658854496.db2.gz NOOJFYTZEMISIP-ZDUSSCGKSA-N 3 2 285.436 -0.127 20 0 CBADLP C[NH+](C)CCC[NH+](C)CCNC(=O)NC[C@@H]1CC[N@H+]1C ZINC000925434835 658854501 /nfs/dbraw/zinc/85/45/01/658854501.db2.gz NOOJFYTZEMISIP-ZDUSSCGKSA-N 3 2 285.436 -0.127 20 0 CBADLP C[NH+]1CCN(C(=O)CC[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CC1 ZINC000925488448 658856756 /nfs/dbraw/zinc/85/67/56/658856756.db2.gz CVAUUTOAAVZYHY-XNHWPECASA-N 3 2 292.427 -0.264 20 0 CBADLP CC(=O)N1CCN(CC[NH2+][C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000925549662 658859300 /nfs/dbraw/zinc/85/93/00/658859300.db2.gz ZCVZXIGTGWDESY-GXTWGEPZSA-N 2 2 268.405 -0.119 20 0 CBADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCOCCS(C)(=O)=O ZINC000925572297 658859643 /nfs/dbraw/zinc/85/96/43/658859643.db2.gz LSJCQPAFIWEZAY-WDEREUQCSA-N 2 2 264.391 -0.222 20 0 CBADLP CC(=O)N1CCN(CC[NH2+][C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000925549667 658859664 /nfs/dbraw/zinc/85/96/64/658859664.db2.gz ZCVZXIGTGWDESY-TZMCWYRMSA-N 2 2 268.405 -0.119 20 0 CBADLP CS(=O)(=O)N1CCC(C[NH2+][C@@H]2C[NH2+]CCOC2)CC1 ZINC000925549621 658859851 /nfs/dbraw/zinc/85/98/51/658859851.db2.gz WZRODQYHGDAGJD-GFCCVEGCSA-N 2 2 291.417 -0.764 20 0 CBADLP CS(=O)(=O)CCOCC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925575220 658860046 /nfs/dbraw/zinc/86/00/46/658860046.db2.gz REAQUMCRTDRQRM-LLVKDONJSA-N 2 2 276.402 -0.078 20 0 CBADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)NCC[NH+](C)C ZINC000925591923 658860965 /nfs/dbraw/zinc/86/09/65/658860965.db2.gz DSCJIQYXAHWHBZ-LBPRGKRZSA-N 2 2 272.393 -0.042 20 0 CBADLP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925609846 658862121 /nfs/dbraw/zinc/86/21/21/658862121.db2.gz WMRBJNVJLOLOQY-KBPBESRZSA-N 3 2 271.405 -0.199 20 0 CBADLP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925609846 658862125 /nfs/dbraw/zinc/86/21/25/658862125.db2.gz WMRBJNVJLOLOQY-KBPBESRZSA-N 3 2 271.405 -0.199 20 0 CBADLP CC[C@H](CNS(C)(=O)=O)[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925679399 658865710 /nfs/dbraw/zinc/86/57/10/658865710.db2.gz CCZXSZWLTJGUFT-JSAZDUPASA-N 2 2 287.429 -0.100 20 0 CBADLP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@]12COCCN1C(=O)COC2 ZINC000925726469 658868825 /nfs/dbraw/zinc/86/88/25/658868825.db2.gz ILYRXEOUVXUCQX-BXUZGUMPSA-N 2 2 283.372 -0.656 20 0 CBADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@@]12COC(=O)N1CCOC2 ZINC000925732976 658868836 /nfs/dbraw/zinc/86/88/36/658868836.db2.gz HZIOJEBOTPRAEU-GMXVVIOVSA-N 2 2 269.345 -0.062 20 0 CBADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@@]12COCCN1C(=O)COC2 ZINC000925726470 658868861 /nfs/dbraw/zinc/86/88/61/658868861.db2.gz ILYRXEOUVXUCQX-FZMZJTMJSA-N 2 2 283.372 -0.656 20 0 CBADLP CS(=O)(=O)[C@H]1C[C@H]([NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000925772312 658871076 /nfs/dbraw/zinc/87/10/76/658871076.db2.gz RDJWEUIYRZGODO-LPWJVIDDSA-N 2 2 288.413 -0.081 20 0 CBADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925816761 658872737 /nfs/dbraw/zinc/87/27/37/658872737.db2.gz IJOKRWOCBPRWBN-GXTWGEPZSA-N 3 2 270.421 -0.234 20 0 CBADLP Cn1ccc(NC(=O)NCC[NH+]2CCC([NH3+])CC2)n1 ZINC000925999329 658880522 /nfs/dbraw/zinc/88/05/22/658880522.db2.gz BVWJEIWMVSHEKL-UHFFFAOYSA-N 2 2 266.349 -0.035 20 0 CBADLP CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CC[NH2+]CC1 ZINC000926443633 658899926 /nfs/dbraw/zinc/89/99/26/658899926.db2.gz PBHTXPOTLUTAPF-ZDUSSCGKSA-N 2 2 296.415 -0.393 20 0 CBADLP CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CC[NH2+]CC1 ZINC000926443633 658899931 /nfs/dbraw/zinc/89/99/31/658899931.db2.gz PBHTXPOTLUTAPF-ZDUSSCGKSA-N 2 2 296.415 -0.393 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@H]1C[N@@H+](CC(N)=O)CC[C@H]1C ZINC000967401853 658912017 /nfs/dbraw/zinc/91/20/17/658912017.db2.gz IEXVWPXGZFWSNT-PWSUYJOCSA-N 2 2 293.371 -0.497 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@H]1C[N@H+](CC(N)=O)CC[C@H]1C ZINC000967401853 658912019 /nfs/dbraw/zinc/91/20/19/658912019.db2.gz IEXVWPXGZFWSNT-PWSUYJOCSA-N 2 2 293.371 -0.497 20 0 CBADLP C[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000968548992 658930881 /nfs/dbraw/zinc/93/08/81/658930881.db2.gz LFCHNKLIDCCGKG-RYUDHWBXSA-N 2 2 294.399 -0.606 20 0 CBADLP C[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000968548992 658930885 /nfs/dbraw/zinc/93/08/85/658930885.db2.gz LFCHNKLIDCCGKG-RYUDHWBXSA-N 2 2 294.399 -0.606 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CC(N)=O)CC[C@@H]1C ZINC000968655248 658937049 /nfs/dbraw/zinc/93/70/49/658937049.db2.gz NGRCPYAHWSDIES-CMPLNLGQSA-N 2 2 293.371 -0.497 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CC(N)=O)CC[C@@H]1C ZINC000968655248 658937060 /nfs/dbraw/zinc/93/70/60/658937060.db2.gz NGRCPYAHWSDIES-CMPLNLGQSA-N 2 2 293.371 -0.497 20 0 CBADLP C[C@H]1CC[N@H+](CCO)C[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000968702675 658938800 /nfs/dbraw/zinc/93/88/00/658938800.db2.gz OFNLLQLANKKJMT-RYUDHWBXSA-N 2 2 266.345 -0.298 20 0 CBADLP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CC[C@@H]([NH2+]CCO)C1 ZINC000969124166 658949939 /nfs/dbraw/zinc/94/99/39/658949939.db2.gz ACWADILWNGOQLG-VXGBXAGGSA-N 2 2 278.356 -0.372 20 0 CBADLP O=C([C@H]1CCn2cc[nH+]c2C1)N1CC[C@@H]([NH2+]CCO)C1 ZINC000969136645 658950477 /nfs/dbraw/zinc/95/04/77/658950477.db2.gz XVLGZAKNDQLBCV-NWDGAFQWSA-N 2 2 278.356 -0.372 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)N1CC[C@@H]([NH2+]CCO)C1 ZINC000969436985 658991860 /nfs/dbraw/zinc/99/18/60/658991860.db2.gz PWQRNCVDTXHLJI-LLVKDONJSA-N 2 2 266.345 -0.465 20 0 CBADLP C[C@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)C1C[NH+](CCO)C1 ZINC000969979132 659026386 /nfs/dbraw/zinc/02/63/86/659026386.db2.gz FTCQHAZEZQGVSR-NWDGAFQWSA-N 2 2 292.383 -0.126 20 0 CBADLP C[C@@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)C1C[NH+](CCO)C1 ZINC000969979125 659027105 /nfs/dbraw/zinc/02/71/05/659027105.db2.gz FTCQHAZEZQGVSR-NEPJUHHUSA-N 2 2 292.383 -0.126 20 0 CBADLP C[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)C1C[NH+](CCO)C1 ZINC000969998491 659028212 /nfs/dbraw/zinc/02/82/12/659028212.db2.gz UEOHPKWMMWWZKR-NWDGAFQWSA-N 2 2 292.383 -0.126 20 0 CBADLP C[C@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)C1C[NH+](CCO)C1 ZINC000969992431 659028822 /nfs/dbraw/zinc/02/88/22/659028822.db2.gz MFWCUVXNWMLGPX-RYUDHWBXSA-N 2 2 292.383 -0.126 20 0 CBADLP C[C@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1C[NH+](CCO)C1 ZINC000969992430 659029166 /nfs/dbraw/zinc/02/91/66/659029166.db2.gz MFWCUVXNWMLGPX-NWDGAFQWSA-N 2 2 292.383 -0.126 20 0 CBADLP C[C@H](O)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000970103981 659034111 /nfs/dbraw/zinc/03/41/11/659034111.db2.gz WOLMSPXKUPVWDA-VHSXEESVSA-N 2 2 252.318 -0.477 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC000970103982 659034706 /nfs/dbraw/zinc/03/47/06/659034706.db2.gz WTGOMRBMQFIIQG-PWSUYJOCSA-N 2 2 291.355 -0.579 20 0 CBADLP C[N@@H+]1CC[C@@H]1CNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000928556197 659040057 /nfs/dbraw/zinc/04/00/57/659040057.db2.gz OUNAZMTYGQYTCQ-QAVQXKDTSA-N 2 2 253.346 -0.305 20 0 CBADLP C[N@H+]1CC[C@@H]1CNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000928556197 659040063 /nfs/dbraw/zinc/04/00/63/659040063.db2.gz OUNAZMTYGQYTCQ-QAVQXKDTSA-N 2 2 253.346 -0.305 20 0 CBADLP O=C(C[NH+]1CCCC1)N1CC[C@@H]([NH2+]Cc2cnon2)C1 ZINC000970716897 659067537 /nfs/dbraw/zinc/06/75/37/659067537.db2.gz IAEXZHKDIJHLFX-LLVKDONJSA-N 2 2 279.344 -0.144 20 0 CBADLP Cc1nnc(C[NH2+][C@@H]2CCN(C(=O)C[NH+]3CCCC3)C2)[nH]1 ZINC000970716443 659068167 /nfs/dbraw/zinc/06/81/67/659068167.db2.gz FKLMPLAJZIMCIU-GFCCVEGCSA-N 2 2 292.387 -0.101 20 0 CBADLP C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1C[NH+](CC(N)=O)C1 ZINC000970745101 659070229 /nfs/dbraw/zinc/07/02/29/659070229.db2.gz JADGCDKDTCPMGS-JTQLQIEISA-N 2 2 280.372 -0.996 20 0 CBADLP C[C@H](C(N)=O)[N@H+](C)[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000971433847 659092161 /nfs/dbraw/zinc/09/21/61/659092161.db2.gz UOTHNDGITPYCEH-GHMZBOCLSA-N 2 2 293.371 -0.251 20 0 CBADLP C[C@H](C(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000971433847 659092166 /nfs/dbraw/zinc/09/21/66/659092166.db2.gz UOTHNDGITPYCEH-GHMZBOCLSA-N 2 2 293.371 -0.251 20 0 CBADLP C[C@H](C(N)=O)[N@H+](C)[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000972039556 659102672 /nfs/dbraw/zinc/10/26/72/659102672.db2.gz IYOOVHYXUANFGW-NEPJUHHUSA-N 2 2 293.371 -0.320 20 0 CBADLP C[C@H](C(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000972039556 659102678 /nfs/dbraw/zinc/10/26/78/659102678.db2.gz IYOOVHYXUANFGW-NEPJUHHUSA-N 2 2 293.371 -0.320 20 0 CBADLP C[NH+](C)CC(=O)N1CC[NH+](C[C@@H]2CCC3(COC3)O2)CC1 ZINC000929259851 659108160 /nfs/dbraw/zinc/10/81/60/659108160.db2.gz POVSHAHSBBLFGE-ZDUSSCGKSA-N 2 2 297.399 -0.360 20 0 CBADLP C[NH+](C)CC(=O)N1CC[NH+](C[C@H]2CCC3(COC3)O2)CC1 ZINC000929259850 659109107 /nfs/dbraw/zinc/10/91/07/659109107.db2.gz POVSHAHSBBLFGE-CYBMUJFWSA-N 2 2 297.399 -0.360 20 0 CBADLP C[C@H](C(N)=O)[N@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000972427481 659118425 /nfs/dbraw/zinc/11/84/25/659118425.db2.gz YCHSMBYGGFNZOS-KOLCDFICSA-N 2 2 279.344 -0.641 20 0 CBADLP C[C@H](C(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000972427481 659118430 /nfs/dbraw/zinc/11/84/30/659118430.db2.gz YCHSMBYGGFNZOS-KOLCDFICSA-N 2 2 279.344 -0.641 20 0 CBADLP C[C@H](CNC(=O)C[N@@H+]1CCCOCC1)[NH+]1CCCOCC1 ZINC000929413263 659121602 /nfs/dbraw/zinc/12/16/02/659121602.db2.gz VVWVAJSNNZOVLN-CQSZACIVSA-N 2 2 299.415 -0.064 20 0 CBADLP C[C@H](CNC(=O)C[N@H+]1CCCOCC1)[NH+]1CCCOCC1 ZINC000929413263 659121613 /nfs/dbraw/zinc/12/16/13/659121613.db2.gz VVWVAJSNNZOVLN-CQSZACIVSA-N 2 2 299.415 -0.064 20 0 CBADLP C[C@H](CNC(=O)C[NH+]1CCCOCC1)[N@@H+]1CCCOCC1 ZINC000929413263 659121624 /nfs/dbraw/zinc/12/16/24/659121624.db2.gz VVWVAJSNNZOVLN-CQSZACIVSA-N 2 2 299.415 -0.064 20 0 CBADLP C[C@H](CNC(=O)C[NH+]1CCCOCC1)[N@H+]1CCCOCC1 ZINC000929413263 659121630 /nfs/dbraw/zinc/12/16/30/659121630.db2.gz VVWVAJSNNZOVLN-CQSZACIVSA-N 2 2 299.415 -0.064 20 0 CBADLP C[C@H](C(N)=O)[N@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000972724830 659125846 /nfs/dbraw/zinc/12/58/46/659125846.db2.gz RYWGYBWQJHGSTO-GHMZBOCLSA-N 2 2 293.371 -0.631 20 0 CBADLP C[C@H](C(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000972724830 659125857 /nfs/dbraw/zinc/12/58/57/659125857.db2.gz RYWGYBWQJHGSTO-GHMZBOCLSA-N 2 2 293.371 -0.631 20 0 CBADLP CC[NH+](CC)CC(=O)N1CC[NH+](C[C@H](O)[C@@H](C)O)CC1 ZINC000929516691 659136704 /nfs/dbraw/zinc/13/67/04/659136704.db2.gz BWQXJYAMTUFIGC-OLZOCXBDSA-N 2 2 287.404 -0.786 20 0 CBADLP COc1cc[nH+]c(N2CC[NH+](C[C@H](O)[C@H](C)O)CC2)c1 ZINC000929526062 659136776 /nfs/dbraw/zinc/13/67/76/659136776.db2.gz IPQLWMVPOIZDTH-AAEUAGOBSA-N 2 2 281.356 -0.046 20 0 CBADLP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[NH+](CC(N)=O)CC1(C)C ZINC000975053142 659176421 /nfs/dbraw/zinc/17/64/21/659176421.db2.gz SSUWNPKJIJHPCQ-NWDGAFQWSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[NH+](CC(N)=O)CC1(C)C ZINC000975053142 659176425 /nfs/dbraw/zinc/17/64/25/659176425.db2.gz SSUWNPKJIJHPCQ-NWDGAFQWSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@H+](CC(N)=O)CC1(C)C ZINC000975053142 659176429 /nfs/dbraw/zinc/17/64/29/659176429.db2.gz SSUWNPKJIJHPCQ-NWDGAFQWSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@@H+](CC(N)=O)CC1(C)C ZINC000975053142 659176433 /nfs/dbraw/zinc/17/64/33/659176433.db2.gz SSUWNPKJIJHPCQ-NWDGAFQWSA-N 2 2 296.415 -0.217 20 0 CBADLP O=C(CCc1[nH]cc[nH+]1)N1CCC[N@@H+](CCO)CC1 ZINC000981070213 659306759 /nfs/dbraw/zinc/30/67/59/659306759.db2.gz MINQCPJCJOYUFJ-UHFFFAOYSA-N 2 2 266.345 -0.131 20 0 CBADLP O=C(CCc1[nH]cc[nH+]1)N1CCC[N@H+](CCO)CC1 ZINC000981070213 659306760 /nfs/dbraw/zinc/30/67/60/659306760.db2.gz MINQCPJCJOYUFJ-UHFFFAOYSA-N 2 2 266.345 -0.131 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000981194174 659310465 /nfs/dbraw/zinc/31/04/65/659310465.db2.gz MJNQKXXHGMVVPC-JHJVBQTASA-N 2 2 296.415 -0.265 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000981194174 659310471 /nfs/dbraw/zinc/31/04/71/659310471.db2.gz MJNQKXXHGMVVPC-JHJVBQTASA-N 2 2 296.415 -0.265 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000981194174 659310477 /nfs/dbraw/zinc/31/04/77/659310477.db2.gz MJNQKXXHGMVVPC-JHJVBQTASA-N 2 2 296.415 -0.265 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000981194174 659310482 /nfs/dbraw/zinc/31/04/82/659310482.db2.gz MJNQKXXHGMVVPC-JHJVBQTASA-N 2 2 296.415 -0.265 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1CCC[C@H]([NH2+]CCO)C1 ZINC000981357588 659315056 /nfs/dbraw/zinc/31/50/56/659315056.db2.gz YVPDNISPVLGPBG-QWRGUYRKSA-N 2 2 266.345 -0.039 20 0 CBADLP C[C@@H](O)[C@H](O)C[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000930672576 659318364 /nfs/dbraw/zinc/31/83/64/659318364.db2.gz BMFMVRUJLSBFFK-DGCLKSJQSA-N 2 2 272.389 -0.445 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCC[C@@H]([NH2+]CC(N)=O)C1 ZINC000981458500 659318839 /nfs/dbraw/zinc/31/88/39/659318839.db2.gz ZAZUKSIHFYAFEP-GHMZBOCLSA-N 2 2 293.371 -0.535 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCC[C@H]([NH2+]CC(N)=O)C1 ZINC000981458503 659319223 /nfs/dbraw/zinc/31/92/23/659319223.db2.gz ZAZUKSIHFYAFEP-WDEREUQCSA-N 2 2 293.371 -0.535 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCC[C@H]([NH2+]CC(N)=O)C1 ZINC000981488275 659319346 /nfs/dbraw/zinc/31/93/46/659319346.db2.gz WKSMSKFHCFUZDU-QWRGUYRKSA-N 2 2 293.371 -0.237 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CCCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC000981957138 659337571 /nfs/dbraw/zinc/33/75/71/659337571.db2.gz DTLPELRWGDFHCZ-OLZOCXBDSA-N 2 2 296.415 -0.264 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CCCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC000981957138 659337580 /nfs/dbraw/zinc/33/75/80/659337580.db2.gz DTLPELRWGDFHCZ-OLZOCXBDSA-N 2 2 296.415 -0.264 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000981957138 659337588 /nfs/dbraw/zinc/33/75/88/659337588.db2.gz DTLPELRWGDFHCZ-OLZOCXBDSA-N 2 2 296.415 -0.264 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC000981957138 659337591 /nfs/dbraw/zinc/33/75/91/659337591.db2.gz DTLPELRWGDFHCZ-OLZOCXBDSA-N 2 2 296.415 -0.264 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC[NH+](CC(N)=O)CC1 ZINC000981959971 659338138 /nfs/dbraw/zinc/33/81/38/659338138.db2.gz QYRSWHDVGBIMQN-VXGBXAGGSA-N 2 2 282.388 -0.796 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC[NH+](CC(N)=O)CC1 ZINC000981959971 659338145 /nfs/dbraw/zinc/33/81/45/659338145.db2.gz QYRSWHDVGBIMQN-VXGBXAGGSA-N 2 2 282.388 -0.796 20 0 CBADLP C[C@@H]1C[NH+](C)C[C@H]1C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000981959971 659338151 /nfs/dbraw/zinc/33/81/51/659338151.db2.gz QYRSWHDVGBIMQN-VXGBXAGGSA-N 2 2 282.388 -0.796 20 0 CBADLP C[C@@H]1C[NH+](C)C[C@H]1C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000981959971 659338156 /nfs/dbraw/zinc/33/81/56/659338156.db2.gz QYRSWHDVGBIMQN-VXGBXAGGSA-N 2 2 282.388 -0.796 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CC2(C1)CCC[N@@H+](CCO)C2 ZINC000982036327 659339033 /nfs/dbraw/zinc/33/90/33/659339033.db2.gz FEDDWJKVWZMBDM-UHFFFAOYSA-N 2 2 278.356 -0.131 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CC2(C1)CCC[N@H+](CCO)C2 ZINC000982036327 659339037 /nfs/dbraw/zinc/33/90/37/659339037.db2.gz FEDDWJKVWZMBDM-UHFFFAOYSA-N 2 2 278.356 -0.131 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[N@@H+](CCO)CC1 ZINC000982035303 659339868 /nfs/dbraw/zinc/33/98/68/659339868.db2.gz DQATUYBVYSDRSJ-UHFFFAOYSA-N 2 2 252.318 -0.521 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[N@H+](CCO)CC1 ZINC000982035303 659339876 /nfs/dbraw/zinc/33/98/76/659339876.db2.gz DQATUYBVYSDRSJ-UHFFFAOYSA-N 2 2 252.318 -0.521 20 0 CBADLP C[NH+](C)CCN1CC[N@H+](C[C@@H](O)C2(O)CCCC2)CC1=O ZINC000930848554 659353016 /nfs/dbraw/zinc/35/30/16/659353016.db2.gz KZQAPQAWHAJGJG-CYBMUJFWSA-N 2 2 299.415 -0.642 20 0 CBADLP C[NH+](C)CCN1CC[N@@H+](C[C@@H](O)C2(O)CCCC2)CC1=O ZINC000930848554 659353022 /nfs/dbraw/zinc/35/30/22/659353022.db2.gz KZQAPQAWHAJGJG-CYBMUJFWSA-N 2 2 299.415 -0.642 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC000984958794 659373418 /nfs/dbraw/zinc/37/34/18/659373418.db2.gz LPGNSCFWFCSTNB-DCAQKATOSA-N 2 2 291.355 -0.675 20 0 CBADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@@H](O)CC3(O)CCOCC3)C[C@H]21 ZINC000931276336 659425402 /nfs/dbraw/zinc/42/54/02/659425402.db2.gz FGYISUFHPYFLMI-IGQOVBAYSA-N 2 2 284.400 -0.229 20 0 CBADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[C@@H](O)CC3(O)CCOCC3)C[C@H]21 ZINC000931276336 659425412 /nfs/dbraw/zinc/42/54/12/659425412.db2.gz FGYISUFHPYFLMI-IGQOVBAYSA-N 2 2 284.400 -0.229 20 0 CBADLP COC(=O)CNC(=O)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931279871 659425818 /nfs/dbraw/zinc/42/58/18/659425818.db2.gz RAJHMIFHFALIBQ-IWIIMEHWSA-N 2 2 269.345 -0.843 20 0 CBADLP COC(=O)CNC(=O)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931279871 659425841 /nfs/dbraw/zinc/42/58/41/659425841.db2.gz RAJHMIFHFALIBQ-IWIIMEHWSA-N 2 2 269.345 -0.843 20 0 CBADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CCCN3C(=O)CNC3=O)C[C@H]21 ZINC000931280356 659426142 /nfs/dbraw/zinc/42/61/42/659426142.db2.gz YMNQYKWLNSBOIB-IAZYJMLFSA-N 2 2 266.345 -0.580 20 0 CBADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CCCN3C(=O)CNC3=O)C[C@H]21 ZINC000931280356 659426149 /nfs/dbraw/zinc/42/61/49/659426149.db2.gz YMNQYKWLNSBOIB-IAZYJMLFSA-N 2 2 266.345 -0.580 20 0 CBADLP CCOC(=O)[C@](C)(O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931278865 659426466 /nfs/dbraw/zinc/42/64/66/659426466.db2.gz PSDQGOIOYCSMGL-MPPDQPJWSA-N 2 2 256.346 -0.208 20 0 CBADLP CCOC(=O)[C@](C)(O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931278865 659426485 /nfs/dbraw/zinc/42/64/85/659426485.db2.gz PSDQGOIOYCSMGL-MPPDQPJWSA-N 2 2 256.346 -0.208 20 0 CBADLP NC(=O)NC(=O)CC[NH+]1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931289696 659427426 /nfs/dbraw/zinc/42/74/26/659427426.db2.gz BJJCEALSUBYYKZ-UHFFFAOYSA-N 2 2 298.387 -0.242 20 0 CBADLP NC(=O)NC(=O)CC[NH+]1CCC([N@H+]2CCCOCC2)CC1 ZINC000931289696 659427439 /nfs/dbraw/zinc/42/74/39/659427439.db2.gz BJJCEALSUBYYKZ-UHFFFAOYSA-N 2 2 298.387 -0.242 20 0 CBADLP OC[C@H](O)C[NH+]1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931284032 659427824 /nfs/dbraw/zinc/42/78/24/659427824.db2.gz MBQUIULDMMXNQP-CYBMUJFWSA-N 2 2 258.362 -0.474 20 0 CBADLP OC[C@H](O)C[NH+]1CCC([N@H+]2CCCOCC2)CC1 ZINC000931284032 659427829 /nfs/dbraw/zinc/42/78/29/659427829.db2.gz MBQUIULDMMXNQP-CYBMUJFWSA-N 2 2 258.362 -0.474 20 0 CBADLP C[C@H](O)[C@@H](O)C[NH+]1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931286602 659428402 /nfs/dbraw/zinc/42/84/02/659428402.db2.gz VENNWTDNHWMKCJ-JSGCOSHPSA-N 2 2 272.389 -0.085 20 0 CBADLP C[C@H](O)[C@@H](O)C[NH+]1CCC([N@H+]2CCCOCC2)CC1 ZINC000931286602 659428403 /nfs/dbraw/zinc/42/84/03/659428403.db2.gz VENNWTDNHWMKCJ-JSGCOSHPSA-N 2 2 272.389 -0.085 20 0 CBADLP CCC1([NH+]2CCOCC2)CC[NH+](C[C@H](O)CO)CC1 ZINC000931329596 659430581 /nfs/dbraw/zinc/43/05/81/659430581.db2.gz VEEKEMBHSTWJGT-ZDUSSCGKSA-N 2 2 272.389 -0.084 20 0 CBADLP C[N@@H+]1C[C@]2(C)C[NH+](CCC(=O)NC(N)=O)C[C@]2(C)C1 ZINC000931308845 659431817 /nfs/dbraw/zinc/43/18/17/659431817.db2.gz PBORPRJHVJSYME-BETUJISGSA-N 2 2 268.361 -0.155 20 0 CBADLP C[N@H+]1C[C@]2(C)C[NH+](CCC(=O)NC(N)=O)C[C@]2(C)C1 ZINC000931308845 659431839 /nfs/dbraw/zinc/43/18/39/659431839.db2.gz PBORPRJHVJSYME-BETUJISGSA-N 2 2 268.361 -0.155 20 0 CBADLP C[NH+]1C[C@]2(C)C[N@H+](CCC(=O)NC(N)=O)C[C@]2(C)C1 ZINC000931308845 659431856 /nfs/dbraw/zinc/43/18/56/659431856.db2.gz PBORPRJHVJSYME-BETUJISGSA-N 2 2 268.361 -0.155 20 0 CBADLP C[NH+]1C[C@]2(C)C[N@@H+](CCC(=O)NC(N)=O)C[C@]2(C)C1 ZINC000931308845 659431864 /nfs/dbraw/zinc/43/18/64/659431864.db2.gz PBORPRJHVJSYME-BETUJISGSA-N 2 2 268.361 -0.155 20 0 CBADLP C[C@H]1[C@H]([NH2+]CCO)CCN1C(=O)CCc1[nH+]ccn1C ZINC000986604705 659463357 /nfs/dbraw/zinc/46/33/57/659463357.db2.gz UBTKKOSQJFEVGV-NWDGAFQWSA-N 2 2 280.372 -0.076 20 0 CBADLP C[C@H]1[C@H]([NH2+]CC(N)=O)CCN1C(=O)CCn1cc[nH+]c1 ZINC000986629709 659465534 /nfs/dbraw/zinc/46/55/34/659465534.db2.gz SQKBDDRMECGXGV-WDEREUQCSA-N 2 2 279.344 -0.663 20 0 CBADLP C[C@H]1[C@H]([NH2+]CC(N)=O)CCN1C(=O)CCc1[nH+]ccn1C ZINC000986604937 659465961 /nfs/dbraw/zinc/46/59/61/659465961.db2.gz VCVLMYRULGQDSN-WDEREUQCSA-N 2 2 293.371 -0.583 20 0 CBADLP Nc1cc[nH+]c2c1C[N@H+](C[C@H](O)C[C@]1(O)CCOC1)CC2 ZINC000931516087 659478601 /nfs/dbraw/zinc/47/86/01/659478601.db2.gz HCQKOSNYFSMHQI-IAQYHMDHSA-N 2 2 293.367 -0.076 20 0 CBADLP Nc1cc[nH+]c2c1C[N@@H+](C[C@H](O)C[C@]1(O)CCOC1)CC2 ZINC000931516087 659478621 /nfs/dbraw/zinc/47/86/21/659478621.db2.gz HCQKOSNYFSMHQI-IAQYHMDHSA-N 2 2 293.367 -0.076 20 0 CBADLP Nc1cc[nH+]c2c1C[N@H+](CCCN1C(=O)CNC1=O)CC2 ZINC000931510488 659479771 /nfs/dbraw/zinc/47/97/71/659479771.db2.gz FGBCWGWPLZKNST-UHFFFAOYSA-N 2 2 289.339 -0.036 20 0 CBADLP Nc1cc[nH+]c2c1C[N@@H+](CCCN1C(=O)CNC1=O)CC2 ZINC000931510488 659479778 /nfs/dbraw/zinc/47/97/78/659479778.db2.gz FGBCWGWPLZKNST-UHFFFAOYSA-N 2 2 289.339 -0.036 20 0 CBADLP Nc1cc[nH+]c2c1C[N@H+](C[C@@H](O)C[C@@]1(O)CCOC1)CC2 ZINC000931516089 659479880 /nfs/dbraw/zinc/47/98/80/659479880.db2.gz HCQKOSNYFSMHQI-NHYWBVRUSA-N 2 2 293.367 -0.076 20 0 CBADLP Nc1cc[nH+]c2c1C[N@@H+](C[C@@H](O)C[C@@]1(O)CCOC1)CC2 ZINC000931516089 659479893 /nfs/dbraw/zinc/47/98/93/659479893.db2.gz HCQKOSNYFSMHQI-NHYWBVRUSA-N 2 2 293.367 -0.076 20 0 CBADLP COC1(OC)CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)C[C@@H]1O ZINC000931636835 659498329 /nfs/dbraw/zinc/49/83/29/659498329.db2.gz ZIHSVLDSGJXEJO-OLZOCXBDSA-N 2 2 290.404 -0.257 20 0 CBADLP COC1(OC)CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C[C@@H]1O ZINC000931636835 659498342 /nfs/dbraw/zinc/49/83/42/659498342.db2.gz ZIHSVLDSGJXEJO-OLZOCXBDSA-N 2 2 290.404 -0.257 20 0 CBADLP COC1(OC)CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C[C@@H]1O ZINC000931636835 659498352 /nfs/dbraw/zinc/49/83/52/659498352.db2.gz ZIHSVLDSGJXEJO-OLZOCXBDSA-N 2 2 290.404 -0.257 20 0 CBADLP COC1(OC)CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C[C@@H]1O ZINC000931636835 659498358 /nfs/dbraw/zinc/49/83/58/659498358.db2.gz ZIHSVLDSGJXEJO-OLZOCXBDSA-N 2 2 290.404 -0.257 20 0 CBADLP C[C@@H]1[C@H]([NH2+]CCO)CCN1C(=O)CCc1c[nH+]cn1C ZINC000987431597 659505901 /nfs/dbraw/zinc/50/59/01/659505901.db2.gz CDSCKEXMTWWENT-DGCLKSJQSA-N 2 2 280.372 -0.076 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]([NH2+]CCO)[C@@H]1C ZINC000987418826 659506383 /nfs/dbraw/zinc/50/63/83/659506383.db2.gz AAJYJUKPCHSSKZ-WDEREUQCSA-N 2 2 266.345 -0.168 20 0 CBADLP C[C@@H]1[C@@H]([NH2+]CCO)CCN1C(=O)Cn1cc[nH+]c1 ZINC000987610717 659513192 /nfs/dbraw/zinc/51/31/92/659513192.db2.gz PVOGFEWGBZQZQF-MNOVXSKESA-N 2 2 252.318 -0.546 20 0 CBADLP C[C@@H]1C[C@@H]([NH2+]CC(N)=O)CN1C(=O)CCc1[nH+]ccn1C ZINC000989224305 659575412 /nfs/dbraw/zinc/57/54/12/659575412.db2.gz VFKNNUPLOVRGHP-GHMZBOCLSA-N 2 2 293.371 -0.583 20 0 CBADLP C[C@H]1C[C@@H]([NH2+]CC(N)=O)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC000989613116 659603427 /nfs/dbraw/zinc/60/34/27/659603427.db2.gz PVWFFBRLMCVLSF-DTWKUNHWSA-N 2 2 265.317 -0.984 20 0 CBADLP C[C@@H]1C[C@@H]([NH2+]CC(N)=O)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC000989613120 659603637 /nfs/dbraw/zinc/60/36/37/659603637.db2.gz PVWFFBRLMCVLSF-RKDXNWHRSA-N 2 2 265.317 -0.984 20 0 CBADLP CN(C)C(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC000989660794 659605849 /nfs/dbraw/zinc/60/58/49/659605849.db2.gz BQENFGINMCYSRZ-ZDUSSCGKSA-N 2 2 296.415 -0.439 20 0 CBADLP CN(C)C(=O)C[N@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC000989660794 659605855 /nfs/dbraw/zinc/60/58/55/659605855.db2.gz BQENFGINMCYSRZ-ZDUSSCGKSA-N 2 2 296.415 -0.439 20 0 CBADLP CN(C)C(=O)C[NH+]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000989660794 659605860 /nfs/dbraw/zinc/60/58/60/659605860.db2.gz BQENFGINMCYSRZ-ZDUSSCGKSA-N 2 2 296.415 -0.439 20 0 CBADLP CN(C)C(=O)C[NH+]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000989660794 659605864 /nfs/dbraw/zinc/60/58/64/659605864.db2.gz BQENFGINMCYSRZ-ZDUSSCGKSA-N 2 2 296.415 -0.439 20 0 CBADLP C[N@@H+]1CC[C@@H](C(=O)N2CCC[NH+]([C@H]3CCNC3=O)CC2)C1 ZINC000989662298 659606011 /nfs/dbraw/zinc/60/60/11/659606011.db2.gz RZXHJTVNQWRMLA-OLZOCXBDSA-N 2 2 294.399 -0.639 20 0 CBADLP C[N@H+]1CC[C@@H](C(=O)N2CCC[NH+]([C@H]3CCNC3=O)CC2)C1 ZINC000989662298 659606013 /nfs/dbraw/zinc/60/60/13/659606013.db2.gz RZXHJTVNQWRMLA-OLZOCXBDSA-N 2 2 294.399 -0.639 20 0 CBADLP C[NH+]1CC[C@@H](C(=O)N2CCC[N@@H+]([C@H]3CCNC3=O)CC2)C1 ZINC000989662298 659606015 /nfs/dbraw/zinc/60/60/15/659606015.db2.gz RZXHJTVNQWRMLA-OLZOCXBDSA-N 2 2 294.399 -0.639 20 0 CBADLP C[NH+]1CC[C@@H](C(=O)N2CCC[N@H+]([C@H]3CCNC3=O)CC2)C1 ZINC000989662298 659606017 /nfs/dbraw/zinc/60/60/17/659606017.db2.gz RZXHJTVNQWRMLA-OLZOCXBDSA-N 2 2 294.399 -0.639 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]([NH2+]CCO)C[C@@H]1C ZINC000989729595 659609848 /nfs/dbraw/zinc/60/98/48/659609848.db2.gz CCEPMGDHOUYLCM-GXSJLCMTSA-N 2 2 266.345 -0.168 20 0 CBADLP CC[C@@H]1C(=O)NCCC[N@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000933217799 659692201 /nfs/dbraw/zinc/69/22/01/659692201.db2.gz MVPSFCCVADARHD-CYBMUJFWSA-N 2 2 296.415 -0.203 20 0 CBADLP CC[C@@H]1C(=O)NCCC[N@@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000933217799 659692205 /nfs/dbraw/zinc/69/22/05/659692205.db2.gz MVPSFCCVADARHD-CYBMUJFWSA-N 2 2 296.415 -0.203 20 0 CBADLP CC[C@H]1C(=O)NCCC[N@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000933234456 659694504 /nfs/dbraw/zinc/69/45/04/659694504.db2.gz MVPSFCCVADARHD-ZDUSSCGKSA-N 2 2 296.415 -0.203 20 0 CBADLP CC[C@H]1C(=O)NCCC[N@@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000933234456 659694509 /nfs/dbraw/zinc/69/45/09/659694509.db2.gz MVPSFCCVADARHD-ZDUSSCGKSA-N 2 2 296.415 -0.203 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC000933697568 659731527 /nfs/dbraw/zinc/73/15/27/659731527.db2.gz WIHPEZJOGHACSP-GRYCIOLGSA-N 2 2 293.433 -0.845 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC000933697568 659731529 /nfs/dbraw/zinc/73/15/29/659731529.db2.gz WIHPEZJOGHACSP-GRYCIOLGSA-N 2 2 293.433 -0.845 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC000933697568 659731533 /nfs/dbraw/zinc/73/15/33/659731533.db2.gz WIHPEZJOGHACSP-GRYCIOLGSA-N 2 2 293.433 -0.845 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC000933697568 659731534 /nfs/dbraw/zinc/73/15/34/659731534.db2.gz WIHPEZJOGHACSP-GRYCIOLGSA-N 2 2 293.433 -0.845 20 0 CBADLP C[C@@H]1NC(=O)N(CC[N@@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)C1=O ZINC000933734519 659735132 /nfs/dbraw/zinc/73/51/32/659735132.db2.gz VARHUJWJFLCLSQ-COPLHBTASA-N 2 2 280.372 -0.190 20 0 CBADLP C[C@@H]1NC(=O)N(CC[N@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)C1=O ZINC000933734519 659735137 /nfs/dbraw/zinc/73/51/37/659735137.db2.gz VARHUJWJFLCLSQ-COPLHBTASA-N 2 2 280.372 -0.190 20 0 CBADLP C[C@@H]1NC(=O)N(CC[NH+]2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)C1=O ZINC000933734519 659735139 /nfs/dbraw/zinc/73/51/39/659735139.db2.gz VARHUJWJFLCLSQ-COPLHBTASA-N 2 2 280.372 -0.190 20 0 CBADLP C[C@@H]1NC(=O)N(CC[NH+]2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)C1=O ZINC000933734519 659735147 /nfs/dbraw/zinc/73/51/47/659735147.db2.gz VARHUJWJFLCLSQ-COPLHBTASA-N 2 2 280.372 -0.190 20 0 CBADLP CC[N@H+](CCC(=O)NC)[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000933866146 659743897 /nfs/dbraw/zinc/74/38/97/659743897.db2.gz AVKUYOABXBUKMF-ZDUSSCGKSA-N 2 2 298.431 -0.003 20 0 CBADLP CC[N@@H+](CCC(=O)NC)[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000933866146 659743903 /nfs/dbraw/zinc/74/39/03/659743903.db2.gz AVKUYOABXBUKMF-ZDUSSCGKSA-N 2 2 298.431 -0.003 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000990516162 659754556 /nfs/dbraw/zinc/75/45/56/659754556.db2.gz NQXHWMWCZJFUAE-LLVKDONJSA-N 2 2 291.355 -0.627 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000990516162 659754561 /nfs/dbraw/zinc/75/45/61/659754561.db2.gz NQXHWMWCZJFUAE-LLVKDONJSA-N 2 2 291.355 -0.627 20 0 CBADLP O=C(C[NH+]1CCCC1)NC1CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000991750960 659844821 /nfs/dbraw/zinc/84/48/21/659844821.db2.gz XTSFEGIDRVCLED-UHFFFAOYSA-N 2 2 291.355 -0.625 20 0 CBADLP NC(=O)C[N@@H+]1CC[C@]2(NC(=O)C[NH+]3CCCC3)CCC[C@@H]12 ZINC000992496116 659857203 /nfs/dbraw/zinc/85/72/03/659857203.db2.gz XNWOSIWXPIEVGR-IUODEOHRSA-N 2 2 294.399 -0.319 20 0 CBADLP NC(=O)C[N@H+]1CC[C@]2(NC(=O)C[NH+]3CCCC3)CCC[C@@H]12 ZINC000992496116 659857206 /nfs/dbraw/zinc/85/72/06/659857206.db2.gz XNWOSIWXPIEVGR-IUODEOHRSA-N 2 2 294.399 -0.319 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@]12CCC[C@@H]1[N@H+](CCO)CC2 ZINC000992528667 659857395 /nfs/dbraw/zinc/85/73/95/659857395.db2.gz HJJKXDMQHMEZNO-JSGCOSHPSA-N 2 2 278.356 -0.011 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@]12CCC[C@@H]1[N@@H+](CCO)CC2 ZINC000992528667 659857397 /nfs/dbraw/zinc/85/73/97/659857397.db2.gz HJJKXDMQHMEZNO-JSGCOSHPSA-N 2 2 278.356 -0.011 20 0 CBADLP NC(=O)C[N@@H+]1CC[C@@]2(NC(=O)C[NH+]3CCCC3)CCC[C@H]12 ZINC000992496135 659857558 /nfs/dbraw/zinc/85/75/58/659857558.db2.gz XNWOSIWXPIEVGR-WFASDCNBSA-N 2 2 294.399 -0.319 20 0 CBADLP NC(=O)C[N@H+]1CC[C@@]2(NC(=O)C[NH+]3CCCC3)CCC[C@H]12 ZINC000992496135 659857561 /nfs/dbraw/zinc/85/75/61/659857561.db2.gz XNWOSIWXPIEVGR-WFASDCNBSA-N 2 2 294.399 -0.319 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@]12CCC[C@H]1[N@H+](CCO)CC2 ZINC000992528679 659858025 /nfs/dbraw/zinc/85/80/25/659858025.db2.gz HJJKXDMQHMEZNO-OCCSQVGLSA-N 2 2 278.356 -0.011 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@]12CCC[C@H]1[N@@H+](CCO)CC2 ZINC000992528679 659858026 /nfs/dbraw/zinc/85/80/26/659858026.db2.gz HJJKXDMQHMEZNO-OCCSQVGLSA-N 2 2 278.356 -0.011 20 0 CBADLP C[C@@H]1[C@H](NC(=O)C23CC[NH+](CC2)C3)CCC[N@@H+]1CC(N)=O ZINC000994250866 659880019 /nfs/dbraw/zinc/88/00/19/659880019.db2.gz JOIPBDJANSLMJY-VXGBXAGGSA-N 2 2 294.399 -0.463 20 0 CBADLP C[C@@H]1[C@H](NC(=O)C23CC[NH+](CC2)C3)CCC[N@H+]1CC(N)=O ZINC000994250866 659880021 /nfs/dbraw/zinc/88/00/21/659880021.db2.gz JOIPBDJANSLMJY-VXGBXAGGSA-N 2 2 294.399 -0.463 20 0 CBADLP C[C@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CCC[N@@H+]1CC(N)=O ZINC000994413781 659881619 /nfs/dbraw/zinc/88/16/19/659881619.db2.gz XMCFLQMQGCTHKL-RYUDHWBXSA-N 2 2 282.388 -0.463 20 0 CBADLP C[C@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CCC[N@H+]1CC(N)=O ZINC000994413781 659881621 /nfs/dbraw/zinc/88/16/21/659881621.db2.gz XMCFLQMQGCTHKL-RYUDHWBXSA-N 2 2 282.388 -0.463 20 0 CBADLP CC[C@@H](C(=O)N1CC(NC(=O)Cn2cc[nH+]c2)C1)[NH+](C)C ZINC000994918151 659887707 /nfs/dbraw/zinc/88/77/07/659887707.db2.gz PTURYFMFHXPJFF-LBPRGKRZSA-N 2 2 293.371 -0.450 20 0 CBADLP C[C@@H]1C[N@H+](CCO)CC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000943175173 659928735 /nfs/dbraw/zinc/92/87/35/659928735.db2.gz GUEOYFVSMVIPNR-PWSUYJOCSA-N 2 2 266.345 -0.229 20 0 CBADLP C[C@@H]1C[N@@H+](CCO)CC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000943175173 659928736 /nfs/dbraw/zinc/92/87/36/659928736.db2.gz GUEOYFVSMVIPNR-PWSUYJOCSA-N 2 2 266.345 -0.229 20 0 CBADLP C[C@@H]1C[N@H+](CC(N)=O)CC[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC000944099708 659933937 /nfs/dbraw/zinc/93/39/37/659933937.db2.gz RSADGROXZUFWPP-PWSUYJOCSA-N 2 2 293.371 -0.726 20 0 CBADLP C[C@@H]1C[N@@H+](CC(N)=O)CC[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC000944099708 659933941 /nfs/dbraw/zinc/93/39/41/659933941.db2.gz RSADGROXZUFWPP-PWSUYJOCSA-N 2 2 293.371 -0.726 20 0 CBADLP C[C@H]1C[N@H+](CC(N)=O)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945810428 659943594 /nfs/dbraw/zinc/94/35/94/659943594.db2.gz XPQCAXFWGVIABR-QWRGUYRKSA-N 2 2 279.344 -0.805 20 0 CBADLP C[C@H]1C[N@@H+](CC(N)=O)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945810428 659943597 /nfs/dbraw/zinc/94/35/97/659943597.db2.gz XPQCAXFWGVIABR-QWRGUYRKSA-N 2 2 279.344 -0.805 20 0 CBADLP C[C@@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CC[N@@H+]1CCO ZINC000947761588 659961122 /nfs/dbraw/zinc/96/11/22/659961122.db2.gz NBAIGAFPROLCPB-MNOVXSKESA-N 2 2 266.345 -0.086 20 0 CBADLP C[C@@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CC[N@H+]1CCO ZINC000947761588 659961124 /nfs/dbraw/zinc/96/11/24/659961124.db2.gz NBAIGAFPROLCPB-MNOVXSKESA-N 2 2 266.345 -0.086 20 0 CBADLP C[C@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[N@@H+]1CC(N)=O ZINC000947928581 659963025 /nfs/dbraw/zinc/96/30/25/659963025.db2.gz CWAOAVPJXXDQRR-QWRGUYRKSA-N 2 2 293.371 -0.583 20 0 CBADLP C[C@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[N@H+]1CC(N)=O ZINC000947928581 659963026 /nfs/dbraw/zinc/96/30/26/659963026.db2.gz CWAOAVPJXXDQRR-QWRGUYRKSA-N 2 2 293.371 -0.583 20 0 CBADLP C[C@@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@@H+]1CCO ZINC000948090245 659965811 /nfs/dbraw/zinc/96/58/11/659965811.db2.gz HNDBSDZIFQDBRW-NEPJUHHUSA-N 2 2 266.345 -0.156 20 0 CBADLP C[C@@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@H+]1CCO ZINC000948090245 659965816 /nfs/dbraw/zinc/96/58/16/659965816.db2.gz HNDBSDZIFQDBRW-NEPJUHHUSA-N 2 2 266.345 -0.156 20 0 CBADLP CN(C[C@H](O)CO)c1cccc(N2CC[NH+](C)CC2)[nH+]1 ZINC001164665318 719365911 /nfs/dbraw/zinc/36/59/11/719365911.db2.gz BAFBKPMENVQBFR-LBPRGKRZSA-N 2 2 280.372 -0.377 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001076462557 805578030 /nfs/dbraw/zinc/57/80/30/805578030.db2.gz ZQOUBNOZIVBWMD-WCQYABFASA-N 2 2 278.356 -0.512 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001076462557 805578035 /nfs/dbraw/zinc/57/80/35/805578035.db2.gz ZQOUBNOZIVBWMD-WCQYABFASA-N 2 2 278.356 -0.512 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCC3CC3)C[C@H]2O)C1 ZINC001076836919 805637188 /nfs/dbraw/zinc/63/71/88/805637188.db2.gz GAJAYILEUIXZRS-MGPQQGTHSA-N 2 2 297.399 -0.722 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCC3CC3)C[C@H]2O)C1 ZINC001076836919 805637173 /nfs/dbraw/zinc/63/71/73/805637173.db2.gz GAJAYILEUIXZRS-MGPQQGTHSA-N 2 2 297.399 -0.722 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCC3CC3)C[C@H]2O)C1 ZINC001076836919 805637177 /nfs/dbraw/zinc/63/71/77/805637177.db2.gz GAJAYILEUIXZRS-MGPQQGTHSA-N 2 2 297.399 -0.722 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCC3CC3)C[C@H]2O)C1 ZINC001076836919 805637183 /nfs/dbraw/zinc/63/71/83/805637183.db2.gz GAJAYILEUIXZRS-MGPQQGTHSA-N 2 2 297.399 -0.722 20 0 CBADLP CC(C)NC(=O)[C@@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000229012436 790435432 /nfs/dbraw/zinc/43/54/32/790435432.db2.gz CSRMDNXUPRZPRB-VXGBXAGGSA-N 2 2 257.378 -0.054 20 0 CBADLP O[C@H](C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1)C(F)(F)F ZINC000310986421 790476268 /nfs/dbraw/zinc/47/62/68/790476268.db2.gz GYHUJVPBMRZELE-NXEZZACHSA-N 2 2 267.295 -0.111 20 0 CBADLP O[C@@H](CN1CCC[N@@H+]2CCC[C@@H]2C1)C[NH+]1CCOCC1 ZINC000382971027 790528111 /nfs/dbraw/zinc/52/81/11/790528111.db2.gz JJQQXWJBRWBWAI-HUUCEWRRSA-N 2 2 283.416 -0.150 20 0 CBADLP O[C@@H](CN1CCC[N@H+]2CCC[C@@H]2C1)C[NH+]1CCOCC1 ZINC000382971027 790528121 /nfs/dbraw/zinc/52/81/21/790528121.db2.gz JJQQXWJBRWBWAI-HUUCEWRRSA-N 2 2 283.416 -0.150 20 0 CBADLP C[C@@H]1CN(C[C@@H](O)C[NH+]2CCOCC2)C[C@H](C)[NH2+]1 ZINC000386454003 790547624 /nfs/dbraw/zinc/54/76/24/790547624.db2.gz RRGABDSKXPLSKH-XQQFMLRXSA-N 2 2 257.378 -0.638 20 0 CBADLP C[NH2+]CC1CC[NH+](C[C@H](O)C[N@H+](C)CCOC)CC1 ZINC000388734163 790559707 /nfs/dbraw/zinc/55/97/07/790559707.db2.gz KLRYIUNLCPRBAQ-CQSZACIVSA-N 3 2 273.421 -0.143 20 0 CBADLP C[NH2+]CC1CC[NH+](C[C@H](O)C[N@@H+](C)CCOC)CC1 ZINC000388734163 790559714 /nfs/dbraw/zinc/55/97/14/790559714.db2.gz KLRYIUNLCPRBAQ-CQSZACIVSA-N 3 2 273.421 -0.143 20 0 CBADLP C[C@H]1CC[C@@H]([NH2+]CCC(=O)N2CCOCC2)C[NH2+]1 ZINC000398967944 790598199 /nfs/dbraw/zinc/59/81/99/790598199.db2.gz SRHDKVHTVWAMNZ-NWDGAFQWSA-N 2 2 255.362 -0.035 20 0 CBADLP OCC[NH+]1CCC([NH2+]C[C@@H](O)C(F)(F)F)CC1 ZINC000399131484 790599282 /nfs/dbraw/zinc/59/92/82/790599282.db2.gz NSEQYWPAWQOUFT-SECBINFHSA-N 2 2 256.268 -0.044 20 0 CBADLP O=S(=O)(C1C[NH2+]C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000405072856 790613648 /nfs/dbraw/zinc/61/36/48/790613648.db2.gz GJUBVQJFIWNIHQ-UHFFFAOYSA-N 2 2 282.369 -0.495 20 0 CBADLP C[NH+]1CCC(C(=O)N2CC[N@H+](C)[C@@H](CO)C2)CC1 ZINC000687593597 790659838 /nfs/dbraw/zinc/65/98/38/790659838.db2.gz ZDMLFCGWYHIWLL-GFCCVEGCSA-N 2 2 255.362 -0.537 20 0 CBADLP C[NH+]1CCC(C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)CC1 ZINC000687593597 790659842 /nfs/dbraw/zinc/65/98/42/790659842.db2.gz ZDMLFCGWYHIWLL-GFCCVEGCSA-N 2 2 255.362 -0.537 20 0 CBADLP C[NH2+]C[C@@H]1CC[N@H+](CCN2CCCS2(=O)=O)C1 ZINC000695060093 790687215 /nfs/dbraw/zinc/68/72/15/790687215.db2.gz VPTCPMBEIPCZSB-NSHDSACASA-N 2 2 261.391 -0.437 20 0 CBADLP C[NH2+]C[C@@H]1CC[N@@H+](CCN2CCCS2(=O)=O)C1 ZINC000695060093 790687219 /nfs/dbraw/zinc/68/72/19/790687219.db2.gz VPTCPMBEIPCZSB-NSHDSACASA-N 2 2 261.391 -0.437 20 0 CBADLP CCO[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@H]1C[NH3+] ZINC000695182200 790689259 /nfs/dbraw/zinc/68/92/59/790689259.db2.gz DKCBTZOZVLBTSB-VXGBXAGGSA-N 2 2 291.417 -0.683 20 0 CBADLP CCO[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@H]1C[NH3+] ZINC000695182200 790689264 /nfs/dbraw/zinc/68/92/64/790689264.db2.gz DKCBTZOZVLBTSB-VXGBXAGGSA-N 2 2 291.417 -0.683 20 0 CBADLP NC(=O)CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000700772597 790710210 /nfs/dbraw/zinc/71/02/10/790710210.db2.gz FOHATXWDOIFSRL-FOSCPWQOSA-N 2 2 252.362 -0.628 20 0 CBADLP CN(C)C(=O)C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000700792034 790710291 /nfs/dbraw/zinc/71/02/91/790710291.db2.gz ZSRZIEYNFKPMED-PBWFPOADSA-N 2 2 280.416 -0.025 20 0 CBADLP [NH3+]CCCN1CC[NH+](C2CCS(=O)(=O)CC2)CC1 ZINC000701630970 790719204 /nfs/dbraw/zinc/71/92/04/790719204.db2.gz XRTXVNKKAWNFIQ-UHFFFAOYSA-N 2 2 275.418 -0.470 20 0 CBADLP NC(=O)C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000705330597 790725182 /nfs/dbraw/zinc/72/51/82/790725182.db2.gz YVLPPRNMPPPMEM-AWEZNQCLSA-N 2 2 263.341 -0.302 20 0 CBADLP NC(=O)C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000705330597 790725191 /nfs/dbraw/zinc/72/51/91/790725191.db2.gz YVLPPRNMPPPMEM-AWEZNQCLSA-N 2 2 263.341 -0.302 20 0 CBADLP CNC(=O)C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000705788670 790726778 /nfs/dbraw/zinc/72/67/78/790726778.db2.gz PIFRZHNKNVMPNX-HNNXBMFYSA-N 2 2 277.368 -0.041 20 0 CBADLP CNC(=O)C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000705788670 790726784 /nfs/dbraw/zinc/72/67/84/790726784.db2.gz PIFRZHNKNVMPNX-HNNXBMFYSA-N 2 2 277.368 -0.041 20 0 CBADLP C[N@@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCC(=O)N1CC[NH2+]CC1 ZINC000720514012 790765993 /nfs/dbraw/zinc/76/59/93/790765993.db2.gz SMMDJDAQNPJWNI-KGLIPLIRSA-N 3 2 280.416 -0.023 20 0 CBADLP C[N@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCC(=O)N1CC[NH2+]CC1 ZINC000720514012 790766003 /nfs/dbraw/zinc/76/60/03/790766003.db2.gz SMMDJDAQNPJWNI-KGLIPLIRSA-N 3 2 280.416 -0.023 20 0 CBADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@@H+]2CCC(=O)N1CC[NH2+]CC1 ZINC000720514012 790766014 /nfs/dbraw/zinc/76/60/14/790766014.db2.gz SMMDJDAQNPJWNI-KGLIPLIRSA-N 3 2 280.416 -0.023 20 0 CBADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@H+]2CCC(=O)N1CC[NH2+]CC1 ZINC000720514012 790766023 /nfs/dbraw/zinc/76/60/23/790766023.db2.gz SMMDJDAQNPJWNI-KGLIPLIRSA-N 3 2 280.416 -0.023 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000721011364 790776680 /nfs/dbraw/zinc/77/66/80/790776680.db2.gz BRMBXZDLKLYABE-NDBYEHHHSA-N 2 2 267.373 -0.321 20 0 CBADLP Cc1nc(C(=O)NCC[NH+]2CCC([NH3+])CC2)no1 ZINC000721860457 790783946 /nfs/dbraw/zinc/78/39/46/790783946.db2.gz PLPLAUCYOTYKRT-UHFFFAOYSA-N 2 2 253.306 -0.469 20 0 CBADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCO)C[C@H]1O ZINC001077236238 805704517 /nfs/dbraw/zinc/70/45/17/805704517.db2.gz HIDKSZMLKZKXON-FRRDWIJNSA-N 2 2 285.388 -0.986 20 0 CBADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCO)C[C@H]1O ZINC001077236238 805704521 /nfs/dbraw/zinc/70/45/21/805704521.db2.gz HIDKSZMLKZKXON-FRRDWIJNSA-N 2 2 285.388 -0.986 20 0 CBADLP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCO)C[C@H]1O ZINC001077236238 805704527 /nfs/dbraw/zinc/70/45/27/805704527.db2.gz HIDKSZMLKZKXON-FRRDWIJNSA-N 2 2 285.388 -0.986 20 0 CBADLP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001077236238 805704532 /nfs/dbraw/zinc/70/45/32/805704532.db2.gz HIDKSZMLKZKXON-FRRDWIJNSA-N 2 2 285.388 -0.986 20 0 CBADLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001077762267 805781751 /nfs/dbraw/zinc/78/17/51/805781751.db2.gz QPMGGMCIHQZMQU-VXGBXAGGSA-N 2 2 296.371 -0.840 20 0 CBADLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001077762267 805781756 /nfs/dbraw/zinc/78/17/56/805781756.db2.gz QPMGGMCIHQZMQU-VXGBXAGGSA-N 2 2 296.371 -0.840 20 0 CBADLP CO[C@@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001078009778 805823344 /nfs/dbraw/zinc/82/33/44/805823344.db2.gz SAYKIJIIDVZZOT-CYZMBNFOSA-N 2 2 296.371 -0.841 20 0 CBADLP CO[C@@H](C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001078009778 805823336 /nfs/dbraw/zinc/82/33/36/805823336.db2.gz SAYKIJIIDVZZOT-CYZMBNFOSA-N 2 2 296.371 -0.841 20 0 CBADLP CC[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1)OC ZINC001078272014 805863819 /nfs/dbraw/zinc/86/38/19/805863819.db2.gz CLWFKUXFJLFJBR-YNEHKIRRSA-N 2 2 296.371 -0.531 20 0 CBADLP CC[C@@H](C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1)OC ZINC001078272014 805863828 /nfs/dbraw/zinc/86/38/28/805863828.db2.gz CLWFKUXFJLFJBR-YNEHKIRRSA-N 2 2 296.371 -0.531 20 0 CBADLP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCO)C[C@H]1O ZINC001078229307 805861030 /nfs/dbraw/zinc/86/10/30/805861030.db2.gz CBVOIXIFFIXLLC-HZSPNIEDSA-N 2 2 299.415 -0.596 20 0 CBADLP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCO)C[C@H]1O ZINC001078229307 805861037 /nfs/dbraw/zinc/86/10/37/805861037.db2.gz CBVOIXIFFIXLLC-HZSPNIEDSA-N 2 2 299.415 -0.596 20 0 CBADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCO)C[C@H]1O ZINC001078229307 805861044 /nfs/dbraw/zinc/86/10/44/805861044.db2.gz CBVOIXIFFIXLLC-HZSPNIEDSA-N 2 2 299.415 -0.596 20 0 CBADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001078229307 805861052 /nfs/dbraw/zinc/86/10/52/805861052.db2.gz CBVOIXIFFIXLLC-HZSPNIEDSA-N 2 2 299.415 -0.596 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@H]1O ZINC001078271998 805865524 /nfs/dbraw/zinc/86/55/24/805865524.db2.gz BPTHTHGPJGIRAN-YNEHKIRRSA-N 2 2 294.355 -0.919 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@H]1O ZINC001078271998 805865530 /nfs/dbraw/zinc/86/55/30/805865530.db2.gz BPTHTHGPJGIRAN-YNEHKIRRSA-N 2 2 294.355 -0.919 20 0 CBADLP NC(=O)C[NH2+][C@@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C12CCC2 ZINC001078737238 805888231 /nfs/dbraw/zinc/88/82/31/805888231.db2.gz WMWVPSIVVFGMGQ-GHMZBOCLSA-N 2 2 291.355 -0.546 20 0 CBADLP NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C12CCC2 ZINC001078737240 805888430 /nfs/dbraw/zinc/88/84/30/805888430.db2.gz WMWVPSIVVFGMGQ-QWRGUYRKSA-N 2 2 291.355 -0.546 20 0 CBADLP NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C12CCC2 ZINC001078761813 805890095 /nfs/dbraw/zinc/89/00/95/805890095.db2.gz RDSFKDGZWHXYFE-VHSXEESVSA-N 2 2 291.355 -0.546 20 0 CBADLP CCN(C)C(=O)C[NH2+]CCNC(=O)Cc1c[nH+]cn1C ZINC001147900721 814926317 /nfs/dbraw/zinc/92/63/17/814926317.db2.gz UWMHUZXNIXANFJ-UHFFFAOYSA-N 2 2 281.360 -0.853 20 0 CBADLP Cn1ccc(C[NH2+]CCNC(=O)Cc2c[nH+]cn2C)n1 ZINC001147900499 814926374 /nfs/dbraw/zinc/92/63/74/814926374.db2.gz OVXKQNSKKWQNOP-UHFFFAOYSA-N 2 2 276.344 -0.398 20 0 CBADLP C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001079494909 805919535 /nfs/dbraw/zinc/91/95/35/805919535.db2.gz SAFUOWWUSMFYKY-JHJVBQTASA-N 2 2 296.415 -0.395 20 0 CBADLP C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001079494909 805919542 /nfs/dbraw/zinc/91/95/42/805919542.db2.gz SAFUOWWUSMFYKY-JHJVBQTASA-N 2 2 296.415 -0.395 20 0 CBADLP C[C@@H]1C[NH+](CC(=O)N(C)C)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC001079494909 805919552 /nfs/dbraw/zinc/91/95/52/805919552.db2.gz SAFUOWWUSMFYKY-JHJVBQTASA-N 2 2 296.415 -0.395 20 0 CBADLP C[C@@H]1C[NH+](CC(=O)N(C)C)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001079494909 805919559 /nfs/dbraw/zinc/91/95/59/805919559.db2.gz SAFUOWWUSMFYKY-JHJVBQTASA-N 2 2 296.415 -0.395 20 0 CBADLP CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001079494562 805920764 /nfs/dbraw/zinc/92/07/64/805920764.db2.gz IBXWTRWGMGJKBF-UTUOFQBUSA-N 2 2 282.388 -0.737 20 0 CBADLP CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001079494562 805920776 /nfs/dbraw/zinc/92/07/76/805920776.db2.gz IBXWTRWGMGJKBF-UTUOFQBUSA-N 2 2 282.388 -0.737 20 0 CBADLP CNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001079494562 805920786 /nfs/dbraw/zinc/92/07/86/805920786.db2.gz IBXWTRWGMGJKBF-UTUOFQBUSA-N 2 2 282.388 -0.737 20 0 CBADLP CNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001079494562 805920792 /nfs/dbraw/zinc/92/07/92/805920792.db2.gz IBXWTRWGMGJKBF-UTUOFQBUSA-N 2 2 282.388 -0.737 20 0 CBADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CC(N)=O)C[C@H]1C ZINC001079687574 805939477 /nfs/dbraw/zinc/93/94/77/805939477.db2.gz RMMVSNNONXMEHV-JHJVBQTASA-N 2 2 296.415 -0.219 20 0 CBADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CC(N)=O)C[C@H]1C ZINC001079687574 805939480 /nfs/dbraw/zinc/93/94/80/805939480.db2.gz RMMVSNNONXMEHV-JHJVBQTASA-N 2 2 296.415 -0.219 20 0 CBADLP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C ZINC001079687574 805939485 /nfs/dbraw/zinc/93/94/85/805939485.db2.gz RMMVSNNONXMEHV-JHJVBQTASA-N 2 2 296.415 -0.219 20 0 CBADLP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C ZINC001079687574 805939489 /nfs/dbraw/zinc/93/94/89/805939489.db2.gz RMMVSNNONXMEHV-JHJVBQTASA-N 2 2 296.415 -0.219 20 0 CBADLP C[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001079890848 805949831 /nfs/dbraw/zinc/94/98/31/805949831.db2.gz OJDKMOYWDMBZEV-PRULPYPASA-N 2 2 278.356 -0.058 20 0 CBADLP C[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001079890848 805949835 /nfs/dbraw/zinc/94/98/35/805949835.db2.gz OJDKMOYWDMBZEV-PRULPYPASA-N 2 2 278.356 -0.058 20 0 CBADLP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001080254848 805965436 /nfs/dbraw/zinc/96/54/36/805965436.db2.gz INNOLUYWUANTIX-VXGBXAGGSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001080254848 805965444 /nfs/dbraw/zinc/96/54/44/805965444.db2.gz INNOLUYWUANTIX-VXGBXAGGSA-N 2 2 296.415 -0.217 20 0 CBADLP Cc1nnc(C[NH2+]CCNC(=O)C23CC[NH+](CC2)C3)o1 ZINC001147971288 814927924 /nfs/dbraw/zinc/92/79/24/814927924.db2.gz ZLIYWGROAJVKRR-UHFFFAOYSA-N 2 2 279.344 -0.320 20 0 CBADLP CC[N@@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@H](OC)C1 ZINC001082327752 806163742 /nfs/dbraw/zinc/16/37/42/806163742.db2.gz MVEHODSKNODFNJ-VXGBXAGGSA-N 2 2 266.345 -0.202 20 0 CBADLP CC[N@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@H](OC)C1 ZINC001082327752 806163750 /nfs/dbraw/zinc/16/37/50/806163750.db2.gz MVEHODSKNODFNJ-VXGBXAGGSA-N 2 2 266.345 -0.202 20 0 CBADLP COCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](OC)C1 ZINC001082369967 806170520 /nfs/dbraw/zinc/17/05/20/806170520.db2.gz LYBWAFPMRUIBSG-CHWSQXEVSA-N 2 2 285.388 -0.456 20 0 CBADLP COCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](OC)C1 ZINC001082369967 806170524 /nfs/dbraw/zinc/17/05/24/806170524.db2.gz LYBWAFPMRUIBSG-CHWSQXEVSA-N 2 2 285.388 -0.456 20 0 CBADLP C[C@H]([NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C)C(N)=O ZINC001082957663 806198534 /nfs/dbraw/zinc/19/85/34/806198534.db2.gz WRVVYPUODKLVFO-OUAUKWLOSA-N 2 2 279.344 -0.807 20 0 CBADLP O=C(CCc1[nH]cc[nH+]1)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001083066265 806223513 /nfs/dbraw/zinc/22/35/13/806223513.db2.gz SOLXVBYYSZCREI-NWDGAFQWSA-N 2 2 294.355 -0.754 20 0 CBADLP O=C(CCc1[nH]cc[nH+]1)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001083066265 806223522 /nfs/dbraw/zinc/22/35/22/806223522.db2.gz SOLXVBYYSZCREI-NWDGAFQWSA-N 2 2 294.355 -0.754 20 0 CBADLP CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+](CC)CCO3)[C@H]2C1 ZINC001083280662 806244482 /nfs/dbraw/zinc/24/44/82/806244482.db2.gz AMZFPZOVQKJGEM-BFHYXJOUSA-N 2 2 297.399 -0.361 20 0 CBADLP CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+](CC)CCO3)[C@H]2C1 ZINC001083280662 806244487 /nfs/dbraw/zinc/24/44/87/806244487.db2.gz AMZFPZOVQKJGEM-BFHYXJOUSA-N 2 2 297.399 -0.361 20 0 CBADLP CC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3C[N@H+](CC)CCO3)[C@H]2C1 ZINC001083280662 806244489 /nfs/dbraw/zinc/24/44/89/806244489.db2.gz AMZFPZOVQKJGEM-BFHYXJOUSA-N 2 2 297.399 -0.361 20 0 CBADLP CC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)[C@H]2C1 ZINC001083280662 806244492 /nfs/dbraw/zinc/24/44/92/806244492.db2.gz AMZFPZOVQKJGEM-BFHYXJOUSA-N 2 2 297.399 -0.361 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCF)C[C@@H]1O ZINC001083368973 806287154 /nfs/dbraw/zinc/28/71/54/806287154.db2.gz DEJBSBIDXMKMGH-WOPDTQHZSA-N 2 2 273.352 -0.399 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCF)C[C@@H]1O ZINC001083368973 806287161 /nfs/dbraw/zinc/28/71/61/806287161.db2.gz DEJBSBIDXMKMGH-WOPDTQHZSA-N 2 2 273.352 -0.399 20 0 CBADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCF)C[C@@H]1O ZINC001083368973 806287166 /nfs/dbraw/zinc/28/71/66/806287166.db2.gz DEJBSBIDXMKMGH-WOPDTQHZSA-N 2 2 273.352 -0.399 20 0 CBADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCF)C[C@@H]1O ZINC001083368973 806287173 /nfs/dbraw/zinc/28/71/73/806287173.db2.gz DEJBSBIDXMKMGH-WOPDTQHZSA-N 2 2 273.352 -0.399 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@H+](CCC2CC2)C[C@@H]1O ZINC001083954266 806468914 /nfs/dbraw/zinc/46/89/14/806468914.db2.gz RZOKYQLTEWAGKP-KGLIPLIRSA-N 2 2 292.383 -0.076 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@@H+](CCC2CC2)C[C@@H]1O ZINC001083954266 806468920 /nfs/dbraw/zinc/46/89/20/806468920.db2.gz RZOKYQLTEWAGKP-KGLIPLIRSA-N 2 2 292.383 -0.076 20 0 CBADLP O=C(N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083958075 806471216 /nfs/dbraw/zinc/47/12/16/806471216.db2.gz XVBIKCOBSHYNJN-XSYPRPMDSA-N 2 2 299.802 -0.004 20 0 CBADLP O=C(N[C@@H]1C[N@H+](C/C=C\Cl)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083958075 806471218 /nfs/dbraw/zinc/47/12/18/806471218.db2.gz XVBIKCOBSHYNJN-XSYPRPMDSA-N 2 2 299.802 -0.004 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@H+](CCCF)C[C@@H]1O ZINC001083998789 806472576 /nfs/dbraw/zinc/47/25/76/806472576.db2.gz NSMNGFUREKHFHA-NEPJUHHUSA-N 2 2 284.335 -0.218 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@@H+](CCCF)C[C@@H]1O ZINC001083998789 806472584 /nfs/dbraw/zinc/47/25/84/806472584.db2.gz NSMNGFUREKHFHA-NEPJUHHUSA-N 2 2 284.335 -0.218 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@H]2CC[N@@H+](CCCO)C[C@H]21 ZINC001084687260 806531995 /nfs/dbraw/zinc/53/19/95/806531995.db2.gz TWXBGKWOUQHPPB-DGCLKSJQSA-N 2 2 278.356 -0.133 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@H]2CC[N@H+](CCCO)C[C@H]21 ZINC001084687260 806532005 /nfs/dbraw/zinc/53/20/05/806532005.db2.gz TWXBGKWOUQHPPB-DGCLKSJQSA-N 2 2 278.356 -0.133 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1C[C@H]2CC[N@@H+](CCCO)C[C@H]21 ZINC001084866293 806540464 /nfs/dbraw/zinc/54/04/64/806540464.db2.gz KHGFZTUEPHHMHM-CHWSQXEVSA-N 2 2 278.356 -0.202 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1C[C@H]2CC[N@H+](CCCO)C[C@H]21 ZINC001084866293 806540471 /nfs/dbraw/zinc/54/04/71/806540471.db2.gz KHGFZTUEPHHMHM-CHWSQXEVSA-N 2 2 278.356 -0.202 20 0 CBADLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1)C(N)=O ZINC001085438787 806555723 /nfs/dbraw/zinc/55/57/23/806555723.db2.gz KZBQXXWAJNXKKR-IJLUTSLNSA-N 2 2 293.371 -0.226 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCO ZINC001085393785 806555874 /nfs/dbraw/zinc/55/58/74/806555874.db2.gz KMXIKVDORQMUPR-CHWSQXEVSA-N 2 2 280.372 -0.028 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001085604587 806585811 /nfs/dbraw/zinc/58/58/11/806585811.db2.gz MCIXQZVMGPUBPE-JHJVBQTASA-N 2 2 296.415 -0.395 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001085604587 806585818 /nfs/dbraw/zinc/58/58/18/806585818.db2.gz MCIXQZVMGPUBPE-JHJVBQTASA-N 2 2 296.415 -0.395 20 0 CBADLP CNC(=O)C[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001085604587 806585824 /nfs/dbraw/zinc/58/58/24/806585824.db2.gz MCIXQZVMGPUBPE-JHJVBQTASA-N 2 2 296.415 -0.395 20 0 CBADLP CNC(=O)C[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001085604587 806585829 /nfs/dbraw/zinc/58/58/29/806585829.db2.gz MCIXQZVMGPUBPE-JHJVBQTASA-N 2 2 296.415 -0.395 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)N(C)C[C@@H]2CC[NH+]2CCO)C1 ZINC001085982272 806629917 /nfs/dbraw/zinc/62/99/17/806629917.db2.gz GNCQNAIIFYBVGC-STQMWFEESA-N 2 2 285.388 -0.768 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)N(C)C[C@@H]2CC[NH+]2CCO)C1 ZINC001085982272 806629925 /nfs/dbraw/zinc/62/99/25/806629925.db2.gz GNCQNAIIFYBVGC-STQMWFEESA-N 2 2 285.388 -0.768 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)N(C)C[C@@H]2CC[N@@H+]2CCO)C1 ZINC001085982272 806629932 /nfs/dbraw/zinc/62/99/32/806629932.db2.gz GNCQNAIIFYBVGC-STQMWFEESA-N 2 2 285.388 -0.768 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)N(C)C[C@@H]2CC[N@H+]2CCO)C1 ZINC001085982272 806629936 /nfs/dbraw/zinc/62/99/36/806629936.db2.gz GNCQNAIIFYBVGC-STQMWFEESA-N 2 2 285.388 -0.768 20 0 CBADLP CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1)C(N)=O ZINC001022775986 798841101 /nfs/dbraw/zinc/84/11/01/798841101.db2.gz RFVWFJPHRZEWMM-WCABBAIRSA-N 2 2 279.344 -0.547 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001022889039 798864178 /nfs/dbraw/zinc/86/41/78/798864178.db2.gz WWWLIJVGXVLXJQ-AEJSXWLSSA-N 2 2 277.328 -0.923 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001023159252 798888012 /nfs/dbraw/zinc/88/80/12/798888012.db2.gz VUISRJMWQJRFMB-OUAUKWLOSA-N 2 2 277.328 -0.992 20 0 CBADLP CN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)Cn3cc[nH+]c3)C2)C1=O ZINC001023161141 798888214 /nfs/dbraw/zinc/88/82/14/798888214.db2.gz PQQQLMPVZKWIAQ-GRYCIOLGSA-N 2 2 291.355 -0.649 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]2CC[C@H]([NH2+]CCO)[C@H]2C1 ZINC001026389273 799002759 /nfs/dbraw/zinc/00/27/59/799002759.db2.gz ZBECVWDORYZCLA-SRVKXCTJSA-N 2 2 278.356 -0.229 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC1CCC([NH2+]CCO)CC1 ZINC001026613570 799010939 /nfs/dbraw/zinc/01/09/39/799010939.db2.gz UCGICMMKOLPWJI-UHFFFAOYSA-N 2 2 266.345 -0.108 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CC[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001027244526 799033601 /nfs/dbraw/zinc/03/36/01/799033601.db2.gz FCKLDAJYXLIWSB-VXGBXAGGSA-N 2 2 291.355 -0.790 20 0 CBADLP C[N@H+](CC(N)=O)[C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001027387751 799045262 /nfs/dbraw/zinc/04/52/62/799045262.db2.gz CYSGBRCLTHVKET-LLVKDONJSA-N 2 2 293.371 -0.250 20 0 CBADLP C[N@@H+](CC(N)=O)[C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001027387751 799045265 /nfs/dbraw/zinc/04/52/65/799045265.db2.gz CYSGBRCLTHVKET-LLVKDONJSA-N 2 2 293.371 -0.250 20 0 CBADLP C[N@H+](CCO)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001027702315 799064798 /nfs/dbraw/zinc/06/47/98/799064798.db2.gz AWYSGARRQAKUJD-GFCCVEGCSA-N 2 2 266.345 -0.202 20 0 CBADLP C[N@@H+](CCO)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001027702315 799064804 /nfs/dbraw/zinc/06/48/04/799064804.db2.gz AWYSGARRQAKUJD-GFCCVEGCSA-N 2 2 266.345 -0.202 20 0 CBADLP C[C@@H](C(N)=O)[N@H+](C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001027702276 799065500 /nfs/dbraw/zinc/06/55/00/799065500.db2.gz ZYHWITGLSLHHJV-NWDGAFQWSA-N 2 2 293.371 -0.320 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+](C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001027702276 799065504 /nfs/dbraw/zinc/06/55/04/799065504.db2.gz ZYHWITGLSLHHJV-NWDGAFQWSA-N 2 2 293.371 -0.320 20 0 CBADLP CNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001027792804 799079526 /nfs/dbraw/zinc/07/95/26/799079526.db2.gz WPWOYGLZUZGJDM-RYUDHWBXSA-N 2 2 282.388 -0.593 20 0 CBADLP CNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001027792804 799079532 /nfs/dbraw/zinc/07/95/32/799079532.db2.gz WPWOYGLZUZGJDM-RYUDHWBXSA-N 2 2 282.388 -0.593 20 0 CBADLP CNC(=O)C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001027792804 799079538 /nfs/dbraw/zinc/07/95/38/799079538.db2.gz WPWOYGLZUZGJDM-RYUDHWBXSA-N 2 2 282.388 -0.593 20 0 CBADLP CNC(=O)C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001027792804 799079545 /nfs/dbraw/zinc/07/95/45/799079545.db2.gz WPWOYGLZUZGJDM-RYUDHWBXSA-N 2 2 282.388 -0.593 20 0 CBADLP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CC(N)=O ZINC001027971761 799097817 /nfs/dbraw/zinc/09/78/17/799097817.db2.gz LSBMEJSRDCFVKH-RYUDHWBXSA-N 2 2 282.388 -0.463 20 0 CBADLP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CC(N)=O ZINC001027971761 799097825 /nfs/dbraw/zinc/09/78/25/799097825.db2.gz LSBMEJSRDCFVKH-RYUDHWBXSA-N 2 2 282.388 -0.463 20 0 CBADLP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC(N)=O ZINC001027971761 799097833 /nfs/dbraw/zinc/09/78/33/799097833.db2.gz LSBMEJSRDCFVKH-RYUDHWBXSA-N 2 2 282.388 -0.463 20 0 CBADLP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC(N)=O ZINC001027971761 799097841 /nfs/dbraw/zinc/09/78/41/799097841.db2.gz LSBMEJSRDCFVKH-RYUDHWBXSA-N 2 2 282.388 -0.463 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCO ZINC001029565766 799202878 /nfs/dbraw/zinc/20/28/78/799202878.db2.gz UOVDSOPVIFJLPB-TXEJJXNPSA-N 2 2 278.356 -0.072 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO ZINC001029565766 799202883 /nfs/dbraw/zinc/20/28/83/799202883.db2.gz UOVDSOPVIFJLPB-TXEJJXNPSA-N 2 2 278.356 -0.072 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001030025657 799212689 /nfs/dbraw/zinc/21/26/89/799212689.db2.gz INJMKZAAITWOCR-JHJVBQTASA-N 2 2 296.415 -0.204 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001030025657 799212692 /nfs/dbraw/zinc/21/26/92/799212692.db2.gz INJMKZAAITWOCR-JHJVBQTASA-N 2 2 296.415 -0.204 20 0 CBADLP CNC(=O)[C@@H](C)[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001030025657 799212700 /nfs/dbraw/zinc/21/27/00/799212700.db2.gz INJMKZAAITWOCR-JHJVBQTASA-N 2 2 296.415 -0.204 20 0 CBADLP CNC(=O)[C@@H](C)[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001030025657 799212706 /nfs/dbraw/zinc/21/27/06/799212706.db2.gz INJMKZAAITWOCR-JHJVBQTASA-N 2 2 296.415 -0.204 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001030026223 799214363 /nfs/dbraw/zinc/21/43/63/799214363.db2.gz HLQYCNGTRIFGOW-XQQFMLRXSA-N 2 2 296.415 -0.075 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001030026223 799214369 /nfs/dbraw/zinc/21/43/69/799214369.db2.gz HLQYCNGTRIFGOW-XQQFMLRXSA-N 2 2 296.415 -0.075 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001030026223 799214373 /nfs/dbraw/zinc/21/43/73/799214373.db2.gz HLQYCNGTRIFGOW-XQQFMLRXSA-N 2 2 296.415 -0.075 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001030026223 799214377 /nfs/dbraw/zinc/21/43/77/799214377.db2.gz HLQYCNGTRIFGOW-XQQFMLRXSA-N 2 2 296.415 -0.075 20 0 CBADLP Cn1c[nH+]cc1CN1CC(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001030153880 799247753 /nfs/dbraw/zinc/24/77/53/799247753.db2.gz FQPYOEAUZODRHB-CYBMUJFWSA-N 2 2 277.372 -0.185 20 0 CBADLP Cn1c[nH+]cc1CN1CC(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001030153880 799247758 /nfs/dbraw/zinc/24/77/58/799247758.db2.gz FQPYOEAUZODRHB-CYBMUJFWSA-N 2 2 277.372 -0.185 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)NC2C[NH+](C[C@H]3CCOC3)C2)C1 ZINC001030180303 799257945 /nfs/dbraw/zinc/25/79/45/799257945.db2.gz NXGWSGPLACCGBA-YPMHNXCESA-N 2 2 283.372 -0.846 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)NC2C[NH+](C[C@H]3CCOC3)C2)C1 ZINC001030180303 799257948 /nfs/dbraw/zinc/25/79/48/799257948.db2.gz NXGWSGPLACCGBA-YPMHNXCESA-N 2 2 283.372 -0.846 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)NC2C[NH+](C[C@H]3CCOC3)C2)C1 ZINC001030180300 799258195 /nfs/dbraw/zinc/25/81/95/799258195.db2.gz NXGWSGPLACCGBA-DGCLKSJQSA-N 2 2 283.372 -0.846 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)NC2C[NH+](C[C@H]3CCOC3)C2)C1 ZINC001030180300 799258199 /nfs/dbraw/zinc/25/81/99/799258199.db2.gz NXGWSGPLACCGBA-DGCLKSJQSA-N 2 2 283.372 -0.846 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)NC2C[NH+](C[C@H]3CCCOC3)C2)C1 ZINC001030183177 799258600 /nfs/dbraw/zinc/25/86/00/799258600.db2.gz PRDVMZRPIUQKFH-TZMCWYRMSA-N 2 2 297.399 -0.456 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)NC2C[NH+](C[C@H]3CCCOC3)C2)C1 ZINC001030183177 799258604 /nfs/dbraw/zinc/25/86/04/799258604.db2.gz PRDVMZRPIUQKFH-TZMCWYRMSA-N 2 2 297.399 -0.456 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)NC2C[NH+](C[C@H]3CCCOC3)C2)C1 ZINC001030183174 799259795 /nfs/dbraw/zinc/25/97/95/799259795.db2.gz PRDVMZRPIUQKFH-OCCSQVGLSA-N 2 2 297.399 -0.456 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)NC2C[NH+](C[C@H]3CCCOC3)C2)C1 ZINC001030183174 799259798 /nfs/dbraw/zinc/25/97/98/799259798.db2.gz PRDVMZRPIUQKFH-OCCSQVGLSA-N 2 2 297.399 -0.456 20 0 CBADLP O=C(NC1C[NH+](CCCO)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001030321235 799295973 /nfs/dbraw/zinc/29/59/73/799295973.db2.gz FXJUZUTWKHRXNU-CYBMUJFWSA-N 2 2 267.373 -0.489 20 0 CBADLP O=C(NC1C[NH+](CCO)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001030321885 799296360 /nfs/dbraw/zinc/29/63/60/799296360.db2.gz OWBMUKNTOZKFET-LBPRGKRZSA-N 2 2 253.346 -0.879 20 0 CBADLP O=C(NC1C[NH+](CCO)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001030321884 799296385 /nfs/dbraw/zinc/29/63/85/799296385.db2.gz OWBMUKNTOZKFET-GFCCVEGCSA-N 2 2 253.346 -0.879 20 0 CBADLP O=C(NC1C[NH+](CCCO)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001030321236 799296393 /nfs/dbraw/zinc/29/63/93/799296393.db2.gz FXJUZUTWKHRXNU-ZDUSSCGKSA-N 2 2 267.373 -0.489 20 0 CBADLP C[NH+](C)CCn1ccc(C(=O)NC2C[NH+](CCCO)C2)n1 ZINC001030329387 799297430 /nfs/dbraw/zinc/29/74/30/799297430.db2.gz XYOQACBEQACUSO-UHFFFAOYSA-N 2 2 295.387 -0.759 20 0 CBADLP C[C@@H](O)C[NH+]1CC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001030335821 799299064 /nfs/dbraw/zinc/29/90/64/799299064.db2.gz DKYPXTMLMLVIDL-CKYFFXLPSA-N 2 2 255.362 -0.492 20 0 CBADLP C[C@@H](O)C[NH+]1CC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001030335821 799299069 /nfs/dbraw/zinc/29/90/69/799299069.db2.gz DKYPXTMLMLVIDL-CKYFFXLPSA-N 2 2 255.362 -0.492 20 0 CBADLP CCC[N@@H+]1CCC[C@H](C(=O)NC2C[NH+](CCO)C2)C1 ZINC001030824894 799390280 /nfs/dbraw/zinc/39/02/80/799390280.db2.gz GPNREYZIBHVXQE-LBPRGKRZSA-N 2 2 269.389 -0.099 20 0 CBADLP CCC[N@H+]1CCC[C@H](C(=O)NC2C[NH+](CCO)C2)C1 ZINC001030824894 799390284 /nfs/dbraw/zinc/39/02/84/799390284.db2.gz GPNREYZIBHVXQE-LBPRGKRZSA-N 2 2 269.389 -0.099 20 0 CBADLP CC(C)[N@@H+]1CCO[C@H](C(=O)NC2C[NH+](CCCO)C2)C1 ZINC001030832684 799392441 /nfs/dbraw/zinc/39/24/41/799392441.db2.gz GZLRRXHEWATXCN-ZDUSSCGKSA-N 2 2 285.388 -0.722 20 0 CBADLP CC(C)[N@H+]1CCO[C@H](C(=O)NC2C[NH+](CCCO)C2)C1 ZINC001030832684 799392448 /nfs/dbraw/zinc/39/24/48/799392448.db2.gz GZLRRXHEWATXCN-ZDUSSCGKSA-N 2 2 285.388 -0.722 20 0 CBADLP CC(C)[N@H+]1CCO[C@H](C(=O)NC2C[NH+](C[C@@H](C)O)C2)C1 ZINC001030839378 799394048 /nfs/dbraw/zinc/39/40/48/799394048.db2.gz KBMHBLMOSRGABB-YPMHNXCESA-N 2 2 285.388 -0.723 20 0 CBADLP CC(C)[N@@H+]1CCO[C@H](C(=O)NC2C[NH+](C[C@@H](C)O)C2)C1 ZINC001030839378 799394052 /nfs/dbraw/zinc/39/40/52/799394052.db2.gz KBMHBLMOSRGABB-YPMHNXCESA-N 2 2 285.388 -0.723 20 0 CBADLP CC[NH+]1CC(NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001030839673 799394423 /nfs/dbraw/zinc/39/44/23/799394423.db2.gz PVHCAZLPPNKJBP-LBPRGKRZSA-N 2 2 255.362 -0.084 20 0 CBADLP CC[NH+]1CC(NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001030839673 799394427 /nfs/dbraw/zinc/39/44/27/799394427.db2.gz PVHCAZLPPNKJBP-LBPRGKRZSA-N 2 2 255.362 -0.084 20 0 CBADLP C[C@H]1C[C@@H](C(=O)NC2C[NH+](CCCO)C2)CC[N@@H+]1C ZINC001030842776 799394559 /nfs/dbraw/zinc/39/45/59/799394559.db2.gz BGVDKKHOEDQNJF-RYUDHWBXSA-N 2 2 269.389 -0.101 20 0 CBADLP C[C@H]1C[C@@H](C(=O)NC2C[NH+](CCCO)C2)CC[N@H+]1C ZINC001030842776 799394564 /nfs/dbraw/zinc/39/45/64/799394564.db2.gz BGVDKKHOEDQNJF-RYUDHWBXSA-N 2 2 269.389 -0.101 20 0 CBADLP CC(C)[N@H+]1CCO[C@H](C(=O)NC2C[NH+](C[C@H](C)O)C2)C1 ZINC001030839375 799394974 /nfs/dbraw/zinc/39/49/74/799394974.db2.gz KBMHBLMOSRGABB-AAEUAGOBSA-N 2 2 285.388 -0.723 20 0 CBADLP CC(C)[N@@H+]1CCO[C@H](C(=O)NC2C[NH+](C[C@H](C)O)C2)C1 ZINC001030839375 799394983 /nfs/dbraw/zinc/39/49/83/799394983.db2.gz KBMHBLMOSRGABB-AAEUAGOBSA-N 2 2 285.388 -0.723 20 0 CBADLP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NC1CN(Cc2c[nH+]cn2C)C1 ZINC001030959960 799417695 /nfs/dbraw/zinc/41/76/95/799417695.db2.gz HFVXXWSIDGZOAV-SMDDNHRTSA-N 2 2 291.399 -0.082 20 0 CBADLP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CN(Cc2c[nH+]cn2C)C1 ZINC001030959960 799417701 /nfs/dbraw/zinc/41/77/01/799417701.db2.gz HFVXXWSIDGZOAV-SMDDNHRTSA-N 2 2 291.399 -0.082 20 0 CBADLP C[C@@H](O)C[NH+]1CC(NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001030963795 799419767 /nfs/dbraw/zinc/41/97/67/799419767.db2.gz APFJGUXMGYZBMH-LLVKDONJSA-N 2 2 269.389 -0.101 20 0 CBADLP C[C@@H](O)C[NH+]1CC(NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001030963795 799419770 /nfs/dbraw/zinc/41/97/70/799419770.db2.gz APFJGUXMGYZBMH-LLVKDONJSA-N 2 2 269.389 -0.101 20 0 CBADLP C[C@@H](O)C[NH+]1CC(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001031257961 799465197 /nfs/dbraw/zinc/46/51/97/799465197.db2.gz BYTGOAOTLCHSLP-MNOVXSKESA-N 2 2 255.362 -0.491 20 0 CBADLP C[C@@H](O)C[NH+]1CC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001031257961 799465199 /nfs/dbraw/zinc/46/51/99/799465199.db2.gz BYTGOAOTLCHSLP-MNOVXSKESA-N 2 2 255.362 -0.491 20 0 CBADLP C[C@H](O)C[NH+]1CC(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001031257962 799465345 /nfs/dbraw/zinc/46/53/45/799465345.db2.gz BYTGOAOTLCHSLP-QWRGUYRKSA-N 2 2 255.362 -0.491 20 0 CBADLP C[C@H](O)C[NH+]1CC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001031257962 799465347 /nfs/dbraw/zinc/46/53/47/799465347.db2.gz BYTGOAOTLCHSLP-QWRGUYRKSA-N 2 2 255.362 -0.491 20 0 CBADLP COC[C@@H](C)[NH+]1CC(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001031385148 799480600 /nfs/dbraw/zinc/48/06/00/799480600.db2.gz VWDDGKOARXPQEB-MNOVXSKESA-N 2 2 255.362 -0.227 20 0 CBADLP COC[C@@H](C)[NH+]1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001031385148 799480601 /nfs/dbraw/zinc/48/06/01/799480601.db2.gz VWDDGKOARXPQEB-MNOVXSKESA-N 2 2 255.362 -0.227 20 0 CBADLP Cn1cc(CC[NH+]2CC(NC(=O)[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC001031384765 799480818 /nfs/dbraw/zinc/48/08/18/799480818.db2.gz LHABOTUARBTXST-CYBMUJFWSA-N 2 2 291.399 -0.285 20 0 CBADLP Cn1cc(CC[NH+]2CC(NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001031384765 799480824 /nfs/dbraw/zinc/48/08/24/799480824.db2.gz LHABOTUARBTXST-CYBMUJFWSA-N 2 2 291.399 -0.285 20 0 CBADLP CO[C@H](C)C[NH+]1CC(NC(=O)C[NH+]2CCCC2)C1 ZINC001031389537 799483070 /nfs/dbraw/zinc/48/30/70/799483070.db2.gz RATCDRCPNGZIIU-LLVKDONJSA-N 2 2 255.362 -0.083 20 0 CBADLP COC[C@H](C)[NH+]1CC(NC(=O)C[NH+]2CCCC2)C1 ZINC001031389766 799483949 /nfs/dbraw/zinc/48/39/49/799483949.db2.gz AEJJIVPDTLWXFX-NSHDSACASA-N 2 2 255.362 -0.083 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001031578453 799511812 /nfs/dbraw/zinc/51/18/12/799511812.db2.gz YEEMHGYKBHFEJP-KOLCDFICSA-N 2 2 268.361 -0.998 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001031578453 799511816 /nfs/dbraw/zinc/51/18/16/799511816.db2.gz YEEMHGYKBHFEJP-KOLCDFICSA-N 2 2 268.361 -0.998 20 0 CBADLP C[C@@H]1[C@H](C(=O)NCC2C[NH+]([C@@H]3CCNC3=O)C2)CC[N@@H+]1C ZINC001031682689 799531793 /nfs/dbraw/zinc/53/17/93/799531793.db2.gz RAWOLROYNDIGSK-RAIGVLPGSA-N 2 2 294.399 -0.737 20 0 CBADLP C[C@@H]1[C@H](C(=O)NCC2C[NH+]([C@@H]3CCNC3=O)C2)CC[N@H+]1C ZINC001031682689 799531795 /nfs/dbraw/zinc/53/17/95/799531795.db2.gz RAWOLROYNDIGSK-RAIGVLPGSA-N 2 2 294.399 -0.737 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](CC(=O)NC)C2)CC[N@@H+]1C ZINC001031684596 799532174 /nfs/dbraw/zinc/53/21/74/799532174.db2.gz SYOXCFYOTMGUSX-QWHCGFSZSA-N 2 2 296.415 -0.489 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](CC(=O)NC)C2)CC[N@H+]1C ZINC001031684596 799532177 /nfs/dbraw/zinc/53/21/77/799532177.db2.gz SYOXCFYOTMGUSX-QWHCGFSZSA-N 2 2 296.415 -0.489 20 0 CBADLP CNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001031773788 799542062 /nfs/dbraw/zinc/54/20/62/799542062.db2.gz BOGKBWSDFKIFIY-LBPRGKRZSA-N 2 2 282.388 -0.735 20 0 CBADLP CNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001031773788 799542065 /nfs/dbraw/zinc/54/20/65/799542065.db2.gz BOGKBWSDFKIFIY-LBPRGKRZSA-N 2 2 282.388 -0.735 20 0 CBADLP NC(=O)C[NH+]1CC(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001031767124 799542630 /nfs/dbraw/zinc/54/26/30/799542630.db2.gz RPKPOUKBTFVIJZ-CHWSQXEVSA-N 2 2 294.399 -0.463 20 0 CBADLP NC(=O)C[NH+]1CC(CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001031767124 799542634 /nfs/dbraw/zinc/54/26/34/799542634.db2.gz RPKPOUKBTFVIJZ-CHWSQXEVSA-N 2 2 294.399 -0.463 20 0 CBADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)NCC1C[NH+](CCO)C1)C2 ZINC001031787631 799544399 /nfs/dbraw/zinc/54/43/99/799544399.db2.gz DZCSHISOWHIAJK-LBPRGKRZSA-N 2 2 292.383 -0.137 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCCF)C1 ZINC001032331948 799615525 /nfs/dbraw/zinc/61/55/25/799615525.db2.gz NDMHSCOYVSBHCK-RWMBFGLXSA-N 2 2 285.363 -0.038 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCCF)C1 ZINC001032331948 799615526 /nfs/dbraw/zinc/61/55/26/799615526.db2.gz NDMHSCOYVSBHCK-RWMBFGLXSA-N 2 2 285.363 -0.038 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCCF)C1 ZINC001032331948 799615530 /nfs/dbraw/zinc/61/55/30/799615530.db2.gz NDMHSCOYVSBHCK-RWMBFGLXSA-N 2 2 285.363 -0.038 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCCF)C1 ZINC001032331948 799615533 /nfs/dbraw/zinc/61/55/33/799615533.db2.gz NDMHSCOYVSBHCK-RWMBFGLXSA-N 2 2 285.363 -0.038 20 0 CBADLP O=C([C@H]1CCn2c[nH+]cc2C1)N1C[C@@H]2C[C@H]1C[N@H+]2CCO ZINC001032483258 799633361 /nfs/dbraw/zinc/63/33/61/799633361.db2.gz XDYCAAUHQHPLQQ-UBHSHLNASA-N 2 2 290.367 -0.277 20 0 CBADLP O=C([C@H]1CCn2c[nH+]cc2C1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCO ZINC001032483258 799633364 /nfs/dbraw/zinc/63/33/64/799633364.db2.gz XDYCAAUHQHPLQQ-UBHSHLNASA-N 2 2 290.367 -0.277 20 0 CBADLP O=C(CCn1cc[nH+]c1)N1C[C@@H]2C[C@H]1C[N@H+]2CCCO ZINC001032550082 799639195 /nfs/dbraw/zinc/63/91/95/799639195.db2.gz CQBKFVDFEVILPP-STQMWFEESA-N 2 2 278.356 -0.059 20 0 CBADLP O=C(CCn1cc[nH+]c1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCO ZINC001032550082 799639198 /nfs/dbraw/zinc/63/91/98/799639198.db2.gz CQBKFVDFEVILPP-STQMWFEESA-N 2 2 278.356 -0.059 20 0 CBADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCO ZINC001032636693 799651871 /nfs/dbraw/zinc/65/18/71/799651871.db2.gz RFALQTLMSHUTHR-WUHRBBMRSA-N 2 2 290.367 -0.199 20 0 CBADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCO ZINC001032636693 799651876 /nfs/dbraw/zinc/65/18/76/799651876.db2.gz RFALQTLMSHUTHR-WUHRBBMRSA-N 2 2 290.367 -0.199 20 0 CBADLP COCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1c[nH+]c[nH]1 ZINC001032651347 799652523 /nfs/dbraw/zinc/65/25/23/799652523.db2.gz TYRVSTFAHUFMIO-RYUDHWBXSA-N 2 2 264.329 -0.116 20 0 CBADLP COCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1c[nH+]c[nH]1 ZINC001032651347 799652527 /nfs/dbraw/zinc/65/25/27/799652527.db2.gz TYRVSTFAHUFMIO-RYUDHWBXSA-N 2 2 264.329 -0.116 20 0 CBADLP COCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+]1CCOCC1 ZINC001032684416 799655447 /nfs/dbraw/zinc/65/54/47/799655447.db2.gz PERLMLHPSSDQED-KBPBESRZSA-N 2 2 297.399 -0.360 20 0 CBADLP COCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+]1CCOCC1 ZINC001032684416 799655450 /nfs/dbraw/zinc/65/54/50/799655450.db2.gz PERLMLHPSSDQED-KBPBESRZSA-N 2 2 297.399 -0.360 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H](C)O ZINC001032784139 799668662 /nfs/dbraw/zinc/66/86/62/799668662.db2.gz JFTOBINHHDTOMN-WXHSDQCUSA-N 2 2 278.356 -0.143 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H](C)O ZINC001032784139 799668665 /nfs/dbraw/zinc/66/86/65/799668665.db2.gz JFTOBINHHDTOMN-WXHSDQCUSA-N 2 2 278.356 -0.143 20 0 CBADLP C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001032828384 799673980 /nfs/dbraw/zinc/67/39/80/799673980.db2.gz SLGWEEJMCCMPMQ-FRRDWIJNSA-N 2 2 296.415 -0.252 20 0 CBADLP C[C@H](C(=O)N(C)C)[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001032828384 799673982 /nfs/dbraw/zinc/67/39/82/799673982.db2.gz SLGWEEJMCCMPMQ-FRRDWIJNSA-N 2 2 296.415 -0.252 20 0 CBADLP C[C@H](C(=O)N(C)C)[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001032828384 799673986 /nfs/dbraw/zinc/67/39/86/799673986.db2.gz SLGWEEJMCCMPMQ-FRRDWIJNSA-N 2 2 296.415 -0.252 20 0 CBADLP C[C@H](C(=O)N(C)C)[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001032828384 799673988 /nfs/dbraw/zinc/67/39/88/799673988.db2.gz SLGWEEJMCCMPMQ-FRRDWIJNSA-N 2 2 296.415 -0.252 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001032839740 799677234 /nfs/dbraw/zinc/67/72/34/799677234.db2.gz JNEZBMKTDTWULS-UPJWGTAASA-N 2 2 296.415 -0.075 20 0 CBADLP CC[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001032839740 799677235 /nfs/dbraw/zinc/67/72/35/799677235.db2.gz JNEZBMKTDTWULS-UPJWGTAASA-N 2 2 296.415 -0.075 20 0 CBADLP CC[C@H](C(N)=O)[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001032839740 799677240 /nfs/dbraw/zinc/67/72/40/799677240.db2.gz JNEZBMKTDTWULS-UPJWGTAASA-N 2 2 296.415 -0.075 20 0 CBADLP CC[C@H](C(N)=O)[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001032839740 799677243 /nfs/dbraw/zinc/67/72/43/799677243.db2.gz JNEZBMKTDTWULS-UPJWGTAASA-N 2 2 296.415 -0.075 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001032838151 799677824 /nfs/dbraw/zinc/67/78/24/799677824.db2.gz JGDODAJQHWXLFO-GMTAPVOTSA-N 2 2 268.361 -0.855 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001032838151 799677828 /nfs/dbraw/zinc/67/78/28/799677828.db2.gz JGDODAJQHWXLFO-GMTAPVOTSA-N 2 2 268.361 -0.855 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001032838151 799677831 /nfs/dbraw/zinc/67/78/31/799677831.db2.gz JGDODAJQHWXLFO-GMTAPVOTSA-N 2 2 268.361 -0.855 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001032838151 799677836 /nfs/dbraw/zinc/67/78/36/799677836.db2.gz JGDODAJQHWXLFO-GMTAPVOTSA-N 2 2 268.361 -0.855 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+]([C@H]2CCNC2=O)C1 ZINC001032838156 799678205 /nfs/dbraw/zinc/67/82/05/799678205.db2.gz LGCREBQYRICKKA-UTUOFQBUSA-N 2 2 280.372 -0.840 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+]([C@H]2CCNC2=O)C1 ZINC001032838156 799678206 /nfs/dbraw/zinc/67/82/06/799678206.db2.gz LGCREBQYRICKKA-UTUOFQBUSA-N 2 2 280.372 -0.840 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001032838156 799678207 /nfs/dbraw/zinc/67/82/07/799678207.db2.gz LGCREBQYRICKKA-UTUOFQBUSA-N 2 2 280.372 -0.840 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001032838156 799678208 /nfs/dbraw/zinc/67/82/08/799678208.db2.gz LGCREBQYRICKKA-UTUOFQBUSA-N 2 2 280.372 -0.840 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001032944484 799694336 /nfs/dbraw/zinc/69/43/36/799694336.db2.gz LERUUVCUMZFVQT-RYUDHWBXSA-N 2 2 282.388 -0.641 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001032944484 799694341 /nfs/dbraw/zinc/69/43/41/799694341.db2.gz LERUUVCUMZFVQT-RYUDHWBXSA-N 2 2 282.388 -0.641 20 0 CBADLP CNC(=O)C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001032944484 799694345 /nfs/dbraw/zinc/69/43/45/799694345.db2.gz LERUUVCUMZFVQT-RYUDHWBXSA-N 2 2 282.388 -0.641 20 0 CBADLP CNC(=O)C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001032944484 799694349 /nfs/dbraw/zinc/69/43/49/799694349.db2.gz LERUUVCUMZFVQT-RYUDHWBXSA-N 2 2 282.388 -0.641 20 0 CBADLP COCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001032978178 799698787 /nfs/dbraw/zinc/69/87/87/799698787.db2.gz XWMXYSQUPDMZJW-STQMWFEESA-N 2 2 285.388 -0.504 20 0 CBADLP COCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001032978178 799698789 /nfs/dbraw/zinc/69/87/89/799698789.db2.gz XWMXYSQUPDMZJW-STQMWFEESA-N 2 2 285.388 -0.504 20 0 CBADLP COCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001032978178 799698792 /nfs/dbraw/zinc/69/87/92/799698792.db2.gz XWMXYSQUPDMZJW-STQMWFEESA-N 2 2 285.388 -0.504 20 0 CBADLP COCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001032978178 799698796 /nfs/dbraw/zinc/69/87/96/799698796.db2.gz XWMXYSQUPDMZJW-STQMWFEESA-N 2 2 285.388 -0.504 20 0 CBADLP CN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)[C@@H]1CC[N@H+](CCO)C1 ZINC001033208544 799725952 /nfs/dbraw/zinc/72/59/52/799725952.db2.gz POVMPNXTIIOKGB-CHWSQXEVSA-N 2 2 292.383 -0.030 20 0 CBADLP CN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)[C@@H]1CC[N@@H+](CCO)C1 ZINC001033208544 799725958 /nfs/dbraw/zinc/72/59/58/799725958.db2.gz POVMPNXTIIOKGB-CHWSQXEVSA-N 2 2 292.383 -0.030 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC001033268285 799734283 /nfs/dbraw/zinc/73/42/83/799734283.db2.gz XQABKTAZNZNDNE-LBPRGKRZSA-N 2 2 293.371 -0.530 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC001033268285 799734287 /nfs/dbraw/zinc/73/42/87/799734287.db2.gz XQABKTAZNZNDNE-LBPRGKRZSA-N 2 2 293.371 -0.530 20 0 CBADLP CN(C(=O)C[NH+]1CCC(C)(C)C1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033418460 799751769 /nfs/dbraw/zinc/75/17/69/799751769.db2.gz BFWFQZQNEXUBFL-LBPRGKRZSA-N 2 2 296.415 -0.264 20 0 CBADLP CN(C(=O)C[NH+]1CCC(C)(C)C1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033418460 799751775 /nfs/dbraw/zinc/75/17/75/799751775.db2.gz BFWFQZQNEXUBFL-LBPRGKRZSA-N 2 2 296.415 -0.264 20 0 CBADLP CN(C(=O)C[N@@H+]1CCC(C)(C)C1)[C@H]1CC[NH+](CC(N)=O)C1 ZINC001033418460 799751778 /nfs/dbraw/zinc/75/17/78/799751778.db2.gz BFWFQZQNEXUBFL-LBPRGKRZSA-N 2 2 296.415 -0.264 20 0 CBADLP CN(C(=O)C[N@H+]1CCC(C)(C)C1)[C@H]1CC[NH+](CC(N)=O)C1 ZINC001033418460 799751784 /nfs/dbraw/zinc/75/17/84/799751784.db2.gz BFWFQZQNEXUBFL-LBPRGKRZSA-N 2 2 296.415 -0.264 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001033420689 799752811 /nfs/dbraw/zinc/75/28/11/799752811.db2.gz RRYQDVXBIKIAAI-OLZOCXBDSA-N 2 2 296.415 -0.393 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001033420689 799752816 /nfs/dbraw/zinc/75/28/16/799752816.db2.gz RRYQDVXBIKIAAI-OLZOCXBDSA-N 2 2 296.415 -0.393 20 0 CBADLP CNC(=O)C[NH+]1CC[C@H](N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001033420689 799752819 /nfs/dbraw/zinc/75/28/19/799752819.db2.gz RRYQDVXBIKIAAI-OLZOCXBDSA-N 2 2 296.415 -0.393 20 0 CBADLP CNC(=O)C[NH+]1CC[C@H](N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001033420689 799752823 /nfs/dbraw/zinc/75/28/23/799752823.db2.gz RRYQDVXBIKIAAI-OLZOCXBDSA-N 2 2 296.415 -0.393 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001033420690 799753155 /nfs/dbraw/zinc/75/31/55/799753155.db2.gz RRYQDVXBIKIAAI-QWHCGFSZSA-N 2 2 296.415 -0.393 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001033420690 799753157 /nfs/dbraw/zinc/75/31/57/799753157.db2.gz RRYQDVXBIKIAAI-QWHCGFSZSA-N 2 2 296.415 -0.393 20 0 CBADLP CNC(=O)C[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001033420690 799753163 /nfs/dbraw/zinc/75/31/63/799753163.db2.gz RRYQDVXBIKIAAI-QWHCGFSZSA-N 2 2 296.415 -0.393 20 0 CBADLP CNC(=O)C[NH+]1CC[C@@H](N(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001033420690 799753166 /nfs/dbraw/zinc/75/31/66/799753166.db2.gz RRYQDVXBIKIAAI-QWHCGFSZSA-N 2 2 296.415 -0.393 20 0 CBADLP C[C@@H](O)C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001033592073 799769848 /nfs/dbraw/zinc/76/98/48/799769848.db2.gz XWLXHMNYDNROSA-VXGBXAGGSA-N 2 2 280.372 -0.124 20 0 CBADLP C[C@@H](O)C[N@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001033592073 799769849 /nfs/dbraw/zinc/76/98/49/799769849.db2.gz XWLXHMNYDNROSA-VXGBXAGGSA-N 2 2 280.372 -0.124 20 0 CBADLP CN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001033658220 799775539 /nfs/dbraw/zinc/77/55/39/799775539.db2.gz RYJLGKYAYCXORR-OLZOCXBDSA-N 2 2 294.399 -0.497 20 0 CBADLP CN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001033658220 799775544 /nfs/dbraw/zinc/77/55/44/799775544.db2.gz RYJLGKYAYCXORR-OLZOCXBDSA-N 2 2 294.399 -0.497 20 0 CBADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CC[N@H+](CCO)C1 ZINC001033790367 799789574 /nfs/dbraw/zinc/78/95/74/799789574.db2.gz VCDZRTSPCZRFOE-OLZOCXBDSA-N 2 2 285.388 -0.768 20 0 CBADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CC[N@@H+](CCO)C1 ZINC001033790367 799789579 /nfs/dbraw/zinc/78/95/79/799789579.db2.gz VCDZRTSPCZRFOE-OLZOCXBDSA-N 2 2 285.388 -0.768 20 0 CBADLP CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@@H]1CC[NH+](CCO)C1 ZINC001033790367 799789582 /nfs/dbraw/zinc/78/95/82/799789582.db2.gz VCDZRTSPCZRFOE-OLZOCXBDSA-N 2 2 285.388 -0.768 20 0 CBADLP CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@@H]1CC[NH+](CCO)C1 ZINC001033790367 799789584 /nfs/dbraw/zinc/78/95/84/799789584.db2.gz VCDZRTSPCZRFOE-OLZOCXBDSA-N 2 2 285.388 -0.768 20 0 CBADLP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033778268 799790730 /nfs/dbraw/zinc/79/07/30/799790730.db2.gz ZKVJDGJBLICQRC-VXGBXAGGSA-N 2 2 282.388 -0.511 20 0 CBADLP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033778268 799790733 /nfs/dbraw/zinc/79/07/33/799790733.db2.gz ZKVJDGJBLICQRC-VXGBXAGGSA-N 2 2 282.388 -0.511 20 0 CBADLP CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001033778268 799790735 /nfs/dbraw/zinc/79/07/35/799790735.db2.gz ZKVJDGJBLICQRC-VXGBXAGGSA-N 2 2 282.388 -0.511 20 0 CBADLP CCN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001033778268 799790738 /nfs/dbraw/zinc/79/07/38/799790738.db2.gz ZKVJDGJBLICQRC-VXGBXAGGSA-N 2 2 282.388 -0.511 20 0 CBADLP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033835549 799795402 /nfs/dbraw/zinc/79/54/02/799795402.db2.gz ZJLYTUZOCFEKJD-FRRDWIJNSA-N 2 2 296.415 -0.265 20 0 CBADLP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033835549 799795406 /nfs/dbraw/zinc/79/54/06/799795406.db2.gz ZJLYTUZOCFEKJD-FRRDWIJNSA-N 2 2 296.415 -0.265 20 0 CBADLP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H]1CC[NH+](CC(N)=O)C1 ZINC001033835549 799795409 /nfs/dbraw/zinc/79/54/09/799795409.db2.gz ZJLYTUZOCFEKJD-FRRDWIJNSA-N 2 2 296.415 -0.265 20 0 CBADLP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H]1CC[NH+](CC(N)=O)C1 ZINC001033835549 799795412 /nfs/dbraw/zinc/79/54/12/799795412.db2.gz ZJLYTUZOCFEKJD-FRRDWIJNSA-N 2 2 296.415 -0.265 20 0 CBADLP CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033939798 799801339 /nfs/dbraw/zinc/80/13/39/799801339.db2.gz COODZEHSOUTPFS-CYBMUJFWSA-N 2 2 296.415 -0.264 20 0 CBADLP CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033939798 799801344 /nfs/dbraw/zinc/80/13/44/799801344.db2.gz COODZEHSOUTPFS-CYBMUJFWSA-N 2 2 296.415 -0.264 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CC(N)=O)C1 ZINC001034140138 799817188 /nfs/dbraw/zinc/81/71/88/799817188.db2.gz XQVGMKPGTNPNME-NEPJUHHUSA-N 2 2 282.388 -0.463 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CC(N)=O)C1 ZINC001034140138 799817193 /nfs/dbraw/zinc/81/71/93/799817193.db2.gz XQVGMKPGTNPNME-NEPJUHHUSA-N 2 2 282.388 -0.463 20 0 CBADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CC(N)=O)C1 ZINC001034140138 799817199 /nfs/dbraw/zinc/81/71/99/799817199.db2.gz XQVGMKPGTNPNME-NEPJUHHUSA-N 2 2 282.388 -0.463 20 0 CBADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CC(N)=O)C1 ZINC001034140138 799817207 /nfs/dbraw/zinc/81/72/07/799817207.db2.gz XQVGMKPGTNPNME-NEPJUHHUSA-N 2 2 282.388 -0.463 20 0 CBADLP NC(=O)C[N@@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001034528525 799846388 /nfs/dbraw/zinc/84/63/88/799846388.db2.gz OSUZBGLLUQNSKJ-GFCCVEGCSA-N 2 2 282.388 -0.462 20 0 CBADLP NC(=O)C[N@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001034528525 799846392 /nfs/dbraw/zinc/84/63/92/799846392.db2.gz OSUZBGLLUQNSKJ-GFCCVEGCSA-N 2 2 282.388 -0.462 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CCCC[N@H+](CC(N)=O)C1 ZINC001034529451 799847118 /nfs/dbraw/zinc/84/71/18/799847118.db2.gz HKCQFFPVSXIMOT-LBPRGKRZSA-N 2 2 293.371 -0.352 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CCCC[N@@H+](CC(N)=O)C1 ZINC001034529451 799847123 /nfs/dbraw/zinc/84/71/23/799847123.db2.gz HKCQFFPVSXIMOT-LBPRGKRZSA-N 2 2 293.371 -0.352 20 0 CBADLP NC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001034743979 799854933 /nfs/dbraw/zinc/85/49/33/799854933.db2.gz FSVAQNHZSHGLRB-MGCOHNPYSA-N 2 2 279.344 -0.546 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@H]([NH2+]CC(N)=O)CC1 ZINC001034786281 799855326 /nfs/dbraw/zinc/85/53/26/799855326.db2.gz LCMAUXJCOUWUFX-XYPYZODXSA-N 2 2 293.371 -0.237 20 0 CBADLP C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC1)C(N)=O ZINC001034761980 799855615 /nfs/dbraw/zinc/85/56/15/799855615.db2.gz XBLVJDKCIWHBCU-GMTAPVOTSA-N 2 2 293.371 -0.157 20 0 CBADLP CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001034895055 799860964 /nfs/dbraw/zinc/86/09/64/799860964.db2.gz SUVGLDLCSJAEGQ-VXGBXAGGSA-N 2 2 255.362 -0.083 20 0 CBADLP CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001034895055 799860973 /nfs/dbraw/zinc/86/09/73/799860973.db2.gz SUVGLDLCSJAEGQ-VXGBXAGGSA-N 2 2 255.362 -0.083 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@@H]1C[NH2+][C@@H]1CCNC1=O ZINC001035063424 799868259 /nfs/dbraw/zinc/86/82/59/799868259.db2.gz UKTMGGRLTYTMNI-VXGBXAGGSA-N 2 2 291.355 -0.579 20 0 CBADLP CCCC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001035327731 799894854 /nfs/dbraw/zinc/89/48/54/799894854.db2.gz MXRUUONXRMPRBX-ZIAGYGMSSA-N 2 2 299.415 -0.066 20 0 CBADLP CCCC[N@H+]1CCO[C@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001035327731 799894860 /nfs/dbraw/zinc/89/48/60/799894860.db2.gz MXRUUONXRMPRBX-ZIAGYGMSSA-N 2 2 299.415 -0.066 20 0 CBADLP CCCC[NH+]1CCO[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001035327731 799894868 /nfs/dbraw/zinc/89/48/68/799894868.db2.gz MXRUUONXRMPRBX-ZIAGYGMSSA-N 2 2 299.415 -0.066 20 0 CBADLP CCCC[NH+]1CCO[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001035327731 799894877 /nfs/dbraw/zinc/89/48/77/799894877.db2.gz MXRUUONXRMPRBX-ZIAGYGMSSA-N 2 2 299.415 -0.066 20 0 CBADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[NH+](CCO)CCO1 ZINC001035390011 799912683 /nfs/dbraw/zinc/91/26/83/799912683.db2.gz UVHYSNPWHSCNOH-UONOGXRCSA-N 2 2 299.415 -0.330 20 0 CBADLP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[NH+](CCO)CCO1 ZINC001035390011 799912689 /nfs/dbraw/zinc/91/26/89/799912689.db2.gz UVHYSNPWHSCNOH-UONOGXRCSA-N 2 2 299.415 -0.330 20 0 CBADLP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001035390011 799912693 /nfs/dbraw/zinc/91/26/93/799912693.db2.gz UVHYSNPWHSCNOH-UONOGXRCSA-N 2 2 299.415 -0.330 20 0 CBADLP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001035390011 799912697 /nfs/dbraw/zinc/91/26/97/799912697.db2.gz UVHYSNPWHSCNOH-UONOGXRCSA-N 2 2 299.415 -0.330 20 0 CBADLP CCC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001035407438 799915875 /nfs/dbraw/zinc/91/58/75/799915875.db2.gz KCWLUFNTMUQIQV-HZSPNIEDSA-N 2 2 299.415 -0.068 20 0 CBADLP CCC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001035407438 799915882 /nfs/dbraw/zinc/91/58/82/799915882.db2.gz KCWLUFNTMUQIQV-HZSPNIEDSA-N 2 2 299.415 -0.068 20 0 CBADLP CCC[NH+]1CCO[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001035407438 799915886 /nfs/dbraw/zinc/91/58/86/799915886.db2.gz KCWLUFNTMUQIQV-HZSPNIEDSA-N 2 2 299.415 -0.068 20 0 CBADLP CCC[NH+]1CCO[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001035407438 799915893 /nfs/dbraw/zinc/91/58/93/799915893.db2.gz KCWLUFNTMUQIQV-HZSPNIEDSA-N 2 2 299.415 -0.068 20 0 CBADLP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CCO)CCO1 ZINC001035418272 799916644 /nfs/dbraw/zinc/91/66/44/799916644.db2.gz WZPBCQQKXVSWMS-CHWSQXEVSA-N 2 2 285.388 -0.720 20 0 CBADLP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CCO)CCO1 ZINC001035418272 799916651 /nfs/dbraw/zinc/91/66/51/799916651.db2.gz WZPBCQQKXVSWMS-CHWSQXEVSA-N 2 2 285.388 -0.720 20 0 CBADLP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001035418272 799916655 /nfs/dbraw/zinc/91/66/55/799916655.db2.gz WZPBCQQKXVSWMS-CHWSQXEVSA-N 2 2 285.388 -0.720 20 0 CBADLP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001035418272 799916661 /nfs/dbraw/zinc/91/66/61/799916661.db2.gz WZPBCQQKXVSWMS-CHWSQXEVSA-N 2 2 285.388 -0.720 20 0 CBADLP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[NH+](CCCO)CCO1 ZINC001035418216 799917025 /nfs/dbraw/zinc/91/70/25/799917025.db2.gz WXHWQCQCDXRXRH-UONOGXRCSA-N 2 2 299.415 -0.330 20 0 CBADLP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[NH+](CCCO)CCO1 ZINC001035418216 799917029 /nfs/dbraw/zinc/91/70/29/799917029.db2.gz WXHWQCQCDXRXRH-UONOGXRCSA-N 2 2 299.415 -0.330 20 0 CBADLP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1C[N@H+](CCCO)CCO1 ZINC001035418216 799917036 /nfs/dbraw/zinc/91/70/36/799917036.db2.gz WXHWQCQCDXRXRH-UONOGXRCSA-N 2 2 299.415 -0.330 20 0 CBADLP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1C[N@@H+](CCCO)CCO1 ZINC001035418216 799917040 /nfs/dbraw/zinc/91/70/40/799917040.db2.gz WXHWQCQCDXRXRH-UONOGXRCSA-N 2 2 299.415 -0.330 20 0 CBADLP C[C@H]1C[C@@H](C(=O)NC[C@H]2C[NH+](CCO)CCO2)CC[N@@H+]1C ZINC001035482493 799931644 /nfs/dbraw/zinc/93/16/44/799931644.db2.gz ANJFUAXBOBKBAD-IHRRRGAJSA-N 2 2 299.415 -0.474 20 0 CBADLP C[C@H]1C[C@@H](C(=O)NC[C@H]2C[NH+](CCO)CCO2)CC[N@H+]1C ZINC001035482493 799931649 /nfs/dbraw/zinc/93/16/49/799931649.db2.gz ANJFUAXBOBKBAD-IHRRRGAJSA-N 2 2 299.415 -0.474 20 0 CBADLP C[C@H]1C[C@@H](C(=O)NC[C@H]2C[N@H+](CCO)CCO2)CC[NH+]1C ZINC001035482493 799931657 /nfs/dbraw/zinc/93/16/57/799931657.db2.gz ANJFUAXBOBKBAD-IHRRRGAJSA-N 2 2 299.415 -0.474 20 0 CBADLP C[C@H]1C[C@@H](C(=O)NC[C@H]2C[N@@H+](CCO)CCO2)CC[NH+]1C ZINC001035482493 799931667 /nfs/dbraw/zinc/93/16/67/799931667.db2.gz ANJFUAXBOBKBAD-IHRRRGAJSA-N 2 2 299.415 -0.474 20 0 CBADLP CC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001035481295 799931974 /nfs/dbraw/zinc/93/19/74/799931974.db2.gz GDPLAZYHPGETEQ-UONOGXRCSA-N 2 2 299.415 -0.068 20 0 CBADLP CC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001035481295 799931978 /nfs/dbraw/zinc/93/19/78/799931978.db2.gz GDPLAZYHPGETEQ-UONOGXRCSA-N 2 2 299.415 -0.068 20 0 CBADLP CC[NH+]1CCO[C@@H](CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001035481295 799931983 /nfs/dbraw/zinc/93/19/83/799931983.db2.gz GDPLAZYHPGETEQ-UONOGXRCSA-N 2 2 299.415 -0.068 20 0 CBADLP CC[NH+]1CCO[C@@H](CNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001035481295 799931987 /nfs/dbraw/zinc/93/19/87/799931987.db2.gz GDPLAZYHPGETEQ-UONOGXRCSA-N 2 2 299.415 -0.068 20 0 CBADLP C[C@H]1C[C@@H](C(=O)NC[C@@H]2C[NH+](CCO)CCO2)CC[N@@H+]1C ZINC001035482494 799932022 /nfs/dbraw/zinc/93/20/22/799932022.db2.gz ANJFUAXBOBKBAD-MELADBBJSA-N 2 2 299.415 -0.474 20 0 CBADLP C[C@H]1C[C@@H](C(=O)NC[C@@H]2C[NH+](CCO)CCO2)CC[N@H+]1C ZINC001035482494 799932027 /nfs/dbraw/zinc/93/20/27/799932027.db2.gz ANJFUAXBOBKBAD-MELADBBJSA-N 2 2 299.415 -0.474 20 0 CBADLP C[C@H]1C[C@@H](C(=O)NC[C@@H]2C[N@H+](CCO)CCO2)CC[NH+]1C ZINC001035482494 799932033 /nfs/dbraw/zinc/93/20/33/799932033.db2.gz ANJFUAXBOBKBAD-MELADBBJSA-N 2 2 299.415 -0.474 20 0 CBADLP C[C@H]1C[C@@H](C(=O)NC[C@@H]2C[N@@H+](CCO)CCO2)CC[NH+]1C ZINC001035482494 799932038 /nfs/dbraw/zinc/93/20/38/799932038.db2.gz ANJFUAXBOBKBAD-MELADBBJSA-N 2 2 299.415 -0.474 20 0 CBADLP CC[C@@H](C(=O)N1CCC2(C[NH+](CC(N)=O)C2)CC1)[NH+](C)C ZINC001035796488 799963442 /nfs/dbraw/zinc/96/34/42/799963442.db2.gz GQNVSRXDSNHRCY-LBPRGKRZSA-N 2 2 296.415 -0.264 20 0 CBADLP C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@H]1[NH2+]CCO ZINC001036315604 799987139 /nfs/dbraw/zinc/98/71/39/799987139.db2.gz XYHALHLVFFTPHQ-NWDGAFQWSA-N 2 2 266.345 -0.298 20 0 CBADLP NC(=O)C[N@@H+]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@@H]21 ZINC001036908689 800012278 /nfs/dbraw/zinc/01/22/78/800012278.db2.gz RGJKYWLUTXXFJW-RYUDHWBXSA-N 2 2 291.355 -0.709 20 0 CBADLP NC(=O)C[N@H+]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@@H]21 ZINC001036908689 800012287 /nfs/dbraw/zinc/01/22/87/800012287.db2.gz RGJKYWLUTXXFJW-RYUDHWBXSA-N 2 2 291.355 -0.709 20 0 CBADLP CC[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@@H]1[NH2+]CC(N)=O ZINC001037933014 800025206 /nfs/dbraw/zinc/02/52/06/800025206.db2.gz KEDWSCOPZVAMER-JQWIXIFHSA-N 2 2 293.371 -0.346 20 0 CBADLP CC[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@@H]1[NH2+]CC(N)=O ZINC001037999408 800028837 /nfs/dbraw/zinc/02/88/37/800028837.db2.gz XLRAJIBVWCBJKL-NEPJUHHUSA-N 2 2 293.371 -0.415 20 0 CBADLP C[C@@H](O)C[N@@H+]1CC[C@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001038442909 800110733 /nfs/dbraw/zinc/11/07/33/800110733.db2.gz SBZHUIHCSMUIAL-MNOVXSKESA-N 2 2 296.371 -0.079 20 0 CBADLP C[C@@H](O)C[N@H+]1CC[C@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001038442909 800110740 /nfs/dbraw/zinc/11/07/40/800110740.db2.gz SBZHUIHCSMUIAL-MNOVXSKESA-N 2 2 296.371 -0.079 20 0 CBADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[NH+]2CCO)C1 ZINC001038627893 801228672 /nfs/dbraw/zinc/22/86/72/801228672.db2.gz MDKGNVBUEBLMSP-CHWSQXEVSA-N 2 2 285.388 -0.722 20 0 CBADLP CC(C)[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[NH+]2CCO)C1 ZINC001038627893 801228676 /nfs/dbraw/zinc/22/86/76/801228676.db2.gz MDKGNVBUEBLMSP-CHWSQXEVSA-N 2 2 285.388 -0.722 20 0 CBADLP CC(C)[NH+]1CCO[C@@H](C(=O)NC[C@H]2CC[N@@H+]2CCO)C1 ZINC001038627893 801228684 /nfs/dbraw/zinc/22/86/84/801228684.db2.gz MDKGNVBUEBLMSP-CHWSQXEVSA-N 2 2 285.388 -0.722 20 0 CBADLP CC(C)[NH+]1CCO[C@@H](C(=O)NC[C@H]2CC[N@H+]2CCO)C1 ZINC001038627893 801228690 /nfs/dbraw/zinc/22/86/90/801228690.db2.gz MDKGNVBUEBLMSP-CHWSQXEVSA-N 2 2 285.388 -0.722 20 0 CBADLP CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CC[NH+]2CCO)C1 ZINC001038627896 801230509 /nfs/dbraw/zinc/23/05/09/801230509.db2.gz MDKGNVBUEBLMSP-STQMWFEESA-N 2 2 285.388 -0.722 20 0 CBADLP CC(C)[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CC[NH+]2CCO)C1 ZINC001038627896 801230512 /nfs/dbraw/zinc/23/05/12/801230512.db2.gz MDKGNVBUEBLMSP-STQMWFEESA-N 2 2 285.388 -0.722 20 0 CBADLP CC(C)[NH+]1CCO[C@H](C(=O)NC[C@@H]2CC[N@@H+]2CCO)C1 ZINC001038627896 801230516 /nfs/dbraw/zinc/23/05/16/801230516.db2.gz MDKGNVBUEBLMSP-STQMWFEESA-N 2 2 285.388 -0.722 20 0 CBADLP CC(C)[NH+]1CCO[C@H](C(=O)NC[C@@H]2CC[N@H+]2CCO)C1 ZINC001038627896 801230519 /nfs/dbraw/zinc/23/05/19/801230519.db2.gz MDKGNVBUEBLMSP-STQMWFEESA-N 2 2 285.388 -0.722 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001038662157 801233245 /nfs/dbraw/zinc/23/32/45/801233245.db2.gz JMYYPZFLTLRIIR-YPMHNXCESA-N 2 2 296.415 -0.347 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001038662157 801233252 /nfs/dbraw/zinc/23/32/52/801233252.db2.gz JMYYPZFLTLRIIR-YPMHNXCESA-N 2 2 296.415 -0.347 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001038673096 801236228 /nfs/dbraw/zinc/23/62/28/801236228.db2.gz ZPTLHOHDRXPASD-OLZOCXBDSA-N 2 2 296.415 -0.217 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001038673096 801236231 /nfs/dbraw/zinc/23/62/31/801236231.db2.gz ZPTLHOHDRXPASD-OLZOCXBDSA-N 2 2 296.415 -0.217 20 0 CBADLP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@@H]1CC[N@@H+]1CCO)C2 ZINC001038697386 801237435 /nfs/dbraw/zinc/23/74/35/801237435.db2.gz WVGDSLJYJKBKAR-STQMWFEESA-N 2 2 292.383 -0.063 20 0 CBADLP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@@H]1CC[N@H+]1CCO)C2 ZINC001038697386 801237442 /nfs/dbraw/zinc/23/74/42/801237442.db2.gz WVGDSLJYJKBKAR-STQMWFEESA-N 2 2 292.383 -0.063 20 0 CBADLP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@H]1CC[N@@H+]1CCO)C2 ZINC001038697385 801238723 /nfs/dbraw/zinc/23/87/23/801238723.db2.gz WVGDSLJYJKBKAR-QWHCGFSZSA-N 2 2 292.383 -0.063 20 0 CBADLP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@H]1CC[N@H+]1CCO)C2 ZINC001038697385 801238729 /nfs/dbraw/zinc/23/87/29/801238729.db2.gz WVGDSLJYJKBKAR-QWHCGFSZSA-N 2 2 292.383 -0.063 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001038927702 801267538 /nfs/dbraw/zinc/26/75/38/801267538.db2.gz ZNODXNPYZOPNGJ-VXGBXAGGSA-N 2 2 294.399 -0.593 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+]1CC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001038927702 801267547 /nfs/dbraw/zinc/26/75/47/801267547.db2.gz ZNODXNPYZOPNGJ-VXGBXAGGSA-N 2 2 294.399 -0.593 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001038927700 801267645 /nfs/dbraw/zinc/26/76/45/801267645.db2.gz ZNODXNPYZOPNGJ-NWDGAFQWSA-N 2 2 294.399 -0.593 20 0 CBADLP CNC(=O)[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001038927700 801267652 /nfs/dbraw/zinc/26/76/52/801267652.db2.gz ZNODXNPYZOPNGJ-NWDGAFQWSA-N 2 2 294.399 -0.593 20 0 CBADLP CN(C)C(=O)C[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001039030041 801281697 /nfs/dbraw/zinc/28/16/97/801281697.db2.gz XTYRENHYBCDLMY-NEPJUHHUSA-N 2 2 282.388 -0.783 20 0 CBADLP CN(C)C(=O)C[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001039030041 801281703 /nfs/dbraw/zinc/28/17/03/801281703.db2.gz XTYRENHYBCDLMY-NEPJUHHUSA-N 2 2 282.388 -0.783 20 0 CBADLP CN(C)C(=O)C[NH+]1CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001039030041 801281710 /nfs/dbraw/zinc/28/17/10/801281710.db2.gz XTYRENHYBCDLMY-NEPJUHHUSA-N 2 2 282.388 -0.783 20 0 CBADLP CN(C)C(=O)C[NH+]1CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001039030041 801281713 /nfs/dbraw/zinc/28/17/13/801281713.db2.gz XTYRENHYBCDLMY-NEPJUHHUSA-N 2 2 282.388 -0.783 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[NH+]3CCO)C1 ZINC001039536910 801296921 /nfs/dbraw/zinc/29/69/21/801296921.db2.gz LWMRDQMVRAUSRD-HZSPNIEDSA-N 2 2 297.399 -0.625 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[NH+]3CCO)C1 ZINC001039536910 801296931 /nfs/dbraw/zinc/29/69/31/801296931.db2.gz LWMRDQMVRAUSRD-HZSPNIEDSA-N 2 2 297.399 -0.625 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3CCO)C1 ZINC001039536910 801296938 /nfs/dbraw/zinc/29/69/38/801296938.db2.gz LWMRDQMVRAUSRD-HZSPNIEDSA-N 2 2 297.399 -0.625 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3CCO)C1 ZINC001039536910 801296942 /nfs/dbraw/zinc/29/69/42/801296942.db2.gz LWMRDQMVRAUSRD-HZSPNIEDSA-N 2 2 297.399 -0.625 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@]2(CC[N@@H+](CCO)C2)C1 ZINC001041713305 801415931 /nfs/dbraw/zinc/41/59/31/801415931.db2.gz GRKIVGZNXBXLTR-AWEZNQCLSA-N 2 2 278.356 -0.131 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@]2(CC[N@H+](CCO)C2)C1 ZINC001041713305 801415943 /nfs/dbraw/zinc/41/59/43/801415943.db2.gz GRKIVGZNXBXLTR-AWEZNQCLSA-N 2 2 278.356 -0.131 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CC[C@]2(CC[N@@H+](CCO)C2)C1 ZINC001041855525 801424713 /nfs/dbraw/zinc/42/47/13/801424713.db2.gz KAUSRYZPYSACIN-AWEZNQCLSA-N 2 2 278.356 -0.200 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CC[C@]2(CC[N@H+](CCO)C2)C1 ZINC001041855525 801424719 /nfs/dbraw/zinc/42/47/19/801424719.db2.gz KAUSRYZPYSACIN-AWEZNQCLSA-N 2 2 278.356 -0.200 20 0 CBADLP NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC001042246452 801453730 /nfs/dbraw/zinc/45/37/30/801453730.db2.gz FFKDKUWRIKISOA-PWSUYJOCSA-N 2 2 291.355 -0.640 20 0 CBADLP NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC001042246452 801453733 /nfs/dbraw/zinc/45/37/33/801453733.db2.gz FFKDKUWRIKISOA-PWSUYJOCSA-N 2 2 291.355 -0.640 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H]2CC[N@@H+](CCO)[C@@H]2C1 ZINC001042251597 801455169 /nfs/dbraw/zinc/45/51/69/801455169.db2.gz ZVMNTOIHGGDQNE-WCQYABFASA-N 2 2 278.356 -0.133 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H]2CC[N@H+](CCO)[C@@H]2C1 ZINC001042251597 801455171 /nfs/dbraw/zinc/45/51/71/801455171.db2.gz ZVMNTOIHGGDQNE-WCQYABFASA-N 2 2 278.356 -0.133 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H]2CC[N@@H+](CCO)[C@@H]2C1 ZINC001042385772 801459886 /nfs/dbraw/zinc/45/98/86/801459886.db2.gz WMEAOQNEDNVIIJ-QWHCGFSZSA-N 2 2 278.356 -0.202 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H]2CC[N@H+](CCO)[C@@H]2C1 ZINC001042385772 801459894 /nfs/dbraw/zinc/45/98/94/801459894.db2.gz WMEAOQNEDNVIIJ-QWHCGFSZSA-N 2 2 278.356 -0.202 20 0 CBADLP CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1C[NH+](C[C@H]2CCOC2)C1 ZINC001042569438 801492209 /nfs/dbraw/zinc/49/22/09/801492209.db2.gz DVCQVZAZYINPBT-TZMCWYRMSA-N 2 2 297.399 -0.504 20 0 CBADLP CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1C[NH+](C[C@H]2CCOC2)C1 ZINC001042569438 801492214 /nfs/dbraw/zinc/49/22/14/801492214.db2.gz DVCQVZAZYINPBT-TZMCWYRMSA-N 2 2 297.399 -0.504 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)N(C)C2C[NH+](CCO)C2)CC[N@@H+]1C ZINC001042748623 801516033 /nfs/dbraw/zinc/51/60/33/801516033.db2.gz PDJGFQDHZMUIER-QWHCGFSZSA-N 2 2 269.389 -0.148 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)N(C)C2C[NH+](CCO)C2)CC[N@H+]1C ZINC001042748623 801516036 /nfs/dbraw/zinc/51/60/36/801516036.db2.gz PDJGFQDHZMUIER-QWHCGFSZSA-N 2 2 269.389 -0.148 20 0 CBADLP C[C@H]1CC[N@H+](CC(=O)N(C)C2C[NH+](CCCO)C2)C1 ZINC001043878292 801599349 /nfs/dbraw/zinc/59/93/49/801599349.db2.gz YSYXVHCRHOBVHB-LBPRGKRZSA-N 2 2 269.389 -0.147 20 0 CBADLP C[C@H]1CC[N@@H+](CC(=O)N(C)C2C[NH+](CCCO)C2)C1 ZINC001043878292 801599356 /nfs/dbraw/zinc/59/93/56/801599356.db2.gz YSYXVHCRHOBVHB-LBPRGKRZSA-N 2 2 269.389 -0.147 20 0 CBADLP C[C@@H](O)C[NH+]1CC(N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001044190443 801627607 /nfs/dbraw/zinc/62/76/07/801627607.db2.gz AZROPRZTMLLBIH-LLVKDONJSA-N 2 2 267.373 -0.394 20 0 CBADLP COCC[NH+]1CC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001044292268 801637260 /nfs/dbraw/zinc/63/72/60/801637260.db2.gz KTNMZOSRSGOKHL-NSHDSACASA-N 2 2 255.362 -0.273 20 0 CBADLP COCC[NH+]1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001044292268 801637263 /nfs/dbraw/zinc/63/72/63/801637263.db2.gz KTNMZOSRSGOKHL-NSHDSACASA-N 2 2 255.362 -0.273 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N(C)C1C[NH+](CCCO)C1 ZINC001044300470 801639470 /nfs/dbraw/zinc/63/94/70/801639470.db2.gz VJFJOMFXWDYKHJ-UHFFFAOYSA-N 2 2 266.345 -0.283 20 0 CBADLP C[C@@H]1C[C@H]([NH2+]CC(N)=O)CCN1C(=O)CCn1cc[nH+]c1 ZINC001044694152 801663556 /nfs/dbraw/zinc/66/35/56/801663556.db2.gz PBITVXMZKSCCQQ-VXGBXAGGSA-N 2 2 293.371 -0.272 20 0 CBADLP C[C@H]1C[C@H]([NH2+]CCO)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001044753740 801666963 /nfs/dbraw/zinc/66/69/63/801666963.db2.gz FHEREYFOAJOGAA-WDEREUQCSA-N 2 2 266.345 -0.086 20 0 CBADLP CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001044975069 801679542 /nfs/dbraw/zinc/67/95/42/801679542.db2.gz SUVGLDLCSJAEGQ-NWDGAFQWSA-N 2 2 255.362 -0.083 20 0 CBADLP CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001044975069 801679548 /nfs/dbraw/zinc/67/95/48/801679548.db2.gz SUVGLDLCSJAEGQ-NWDGAFQWSA-N 2 2 255.362 -0.083 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CC(N)=O ZINC001045732745 801711109 /nfs/dbraw/zinc/71/11/09/801711109.db2.gz XXVSYTJZCHQWLQ-FRRDWIJNSA-N 2 2 294.399 -0.369 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CC(N)=O ZINC001045732745 801711116 /nfs/dbraw/zinc/71/11/16/801711116.db2.gz XXVSYTJZCHQWLQ-FRRDWIJNSA-N 2 2 294.399 -0.369 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC(N)=O ZINC001045732745 801711123 /nfs/dbraw/zinc/71/11/23/801711123.db2.gz XXVSYTJZCHQWLQ-FRRDWIJNSA-N 2 2 294.399 -0.369 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC(N)=O ZINC001045732745 801711130 /nfs/dbraw/zinc/71/11/30/801711130.db2.gz XXVSYTJZCHQWLQ-FRRDWIJNSA-N 2 2 294.399 -0.369 20 0 CBADLP CN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@H]1C[N@H+](CCF)C[C@@H]1O ZINC001047381177 801859396 /nfs/dbraw/zinc/85/93/96/801859396.db2.gz GAPITNLYNNRAIV-IHRRRGAJSA-N 2 2 299.390 -0.199 20 0 CBADLP CN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001047381177 801859404 /nfs/dbraw/zinc/85/94/04/801859404.db2.gz GAPITNLYNNRAIV-IHRRRGAJSA-N 2 2 299.390 -0.199 20 0 CBADLP CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001047434962 801870311 /nfs/dbraw/zinc/87/03/11/801870311.db2.gz CRSNCXHEUXMYLJ-AVGNSLFASA-N 2 2 292.383 -0.031 20 0 CBADLP CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001047434962 801870321 /nfs/dbraw/zinc/87/03/21/801870321.db2.gz CRSNCXHEUXMYLJ-AVGNSLFASA-N 2 2 292.383 -0.031 20 0 CBADLP CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001047431905 801872535 /nfs/dbraw/zinc/87/25/35/801872535.db2.gz KDIRDRNDPAWADX-UBHSHLNASA-N 2 2 292.383 -0.031 20 0 CBADLP CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001047431905 801872542 /nfs/dbraw/zinc/87/25/42/801872542.db2.gz KDIRDRNDPAWADX-UBHSHLNASA-N 2 2 292.383 -0.031 20 0 CBADLP COC[C@H](C)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001047545333 801898967 /nfs/dbraw/zinc/89/89/67/801898967.db2.gz QOUUMPUBLQNVSJ-DRZSPHRISA-N 2 2 296.371 -0.509 20 0 CBADLP COC[C@H](C)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001047646548 801917654 /nfs/dbraw/zinc/91/76/54/801917654.db2.gz HDGLESQIKBXLJU-AVGNSLFASA-N 2 2 296.371 -0.579 20 0 CBADLP COC[C@H](C)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001047646548 801917658 /nfs/dbraw/zinc/91/76/58/801917658.db2.gz HDGLESQIKBXLJU-AVGNSLFASA-N 2 2 296.371 -0.579 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2C[N@H+](CCCO)C[C@@H]2C1 ZINC001049083298 801997339 /nfs/dbraw/zinc/99/73/39/801997339.db2.gz XLPKSGQRODEQQS-TXEJJXNPSA-N 2 2 278.356 -0.275 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2C[N@@H+](CCCO)C[C@@H]2C1 ZINC001049083298 801997343 /nfs/dbraw/zinc/99/73/43/801997343.db2.gz XLPKSGQRODEQQS-TXEJJXNPSA-N 2 2 278.356 -0.275 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H]2C[N@@H+](CCO)C[C@@H]2C1 ZINC001049107191 801997489 /nfs/dbraw/zinc/99/74/89/801997489.db2.gz ZEQQPSHAIKQNNG-UPJWGTAASA-N 2 2 292.383 -0.029 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H]2C[N@H+](CCO)C[C@@H]2C1 ZINC001049107191 801997491 /nfs/dbraw/zinc/99/74/91/801997491.db2.gz ZEQQPSHAIKQNNG-UPJWGTAASA-N 2 2 292.383 -0.029 20 0 CBADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H]2C[N@@H+](CCO)C[C@@H]2C1 ZINC001049107191 801997495 /nfs/dbraw/zinc/99/74/95/801997495.db2.gz ZEQQPSHAIKQNNG-UPJWGTAASA-N 2 2 292.383 -0.029 20 0 CBADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H]2C[N@H+](CCO)C[C@@H]2C1 ZINC001049107191 801997500 /nfs/dbraw/zinc/99/75/00/801997500.db2.gz ZEQQPSHAIKQNNG-UPJWGTAASA-N 2 2 292.383 -0.029 20 0 CBADLP CNC(=O)C[N@H+]1C[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C1 ZINC001049082922 801998527 /nfs/dbraw/zinc/99/85/27/801998527.db2.gz MIIQLVKXBDVYAF-PHIMTYICSA-N 2 2 291.355 -0.912 20 0 CBADLP CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C1 ZINC001049082922 801998533 /nfs/dbraw/zinc/99/85/33/801998533.db2.gz MIIQLVKXBDVYAF-PHIMTYICSA-N 2 2 291.355 -0.912 20 0 CBADLP C[C@H](O)C[N@H+]1C[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C1 ZINC001049083894 801998597 /nfs/dbraw/zinc/99/85/97/801998597.db2.gz YHVZXEHEWKDOEA-SDDRHHMPSA-N 2 2 278.356 -0.277 20 0 CBADLP C[C@H](O)C[N@@H+]1C[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C1 ZINC001049083894 801998601 /nfs/dbraw/zinc/99/86/01/801998601.db2.gz YHVZXEHEWKDOEA-SDDRHHMPSA-N 2 2 278.356 -0.277 20 0 CBADLP COCC[N@H+]1C[C@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]2C1 ZINC001049174771 802003483 /nfs/dbraw/zinc/00/34/83/802003483.db2.gz YLCDMQHTCWRSRK-BETUJISGSA-N 2 2 292.383 -0.001 20 0 CBADLP COCC[N@@H+]1C[C@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]2C1 ZINC001049174771 802003490 /nfs/dbraw/zinc/00/34/90/802003490.db2.gz YLCDMQHTCWRSRK-BETUJISGSA-N 2 2 292.383 -0.001 20 0 CBADLP C[C@@H](O)C[N@H+]1C[C@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]2C1 ZINC001049174712 802004375 /nfs/dbraw/zinc/00/43/75/802004375.db2.gz XOPRFRNZJGFIMX-UPJWGTAASA-N 2 2 292.383 -0.266 20 0 CBADLP C[C@@H](O)C[N@@H+]1C[C@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]2C1 ZINC001049174712 802004383 /nfs/dbraw/zinc/00/43/83/802004383.db2.gz XOPRFRNZJGFIMX-UPJWGTAASA-N 2 2 292.383 -0.266 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[N@H+](CCO)C[C@@H]2C1 ZINC001049248150 802009751 /nfs/dbraw/zinc/00/97/51/802009751.db2.gz OJLKGBHXSINUDZ-TXEJJXNPSA-N 2 2 264.329 -0.734 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[N@@H+](CCO)C[C@@H]2C1 ZINC001049248150 802009760 /nfs/dbraw/zinc/00/97/60/802009760.db2.gz OJLKGBHXSINUDZ-TXEJJXNPSA-N 2 2 264.329 -0.734 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CCC[C@H]2[C@H]1CC[N@H+]2CCO ZINC001049928996 802042332 /nfs/dbraw/zinc/04/23/32/802042332.db2.gz XXBQYHXGOICMGT-QWHCGFSZSA-N 2 2 278.356 -0.059 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCO ZINC001049928996 802042336 /nfs/dbraw/zinc/04/23/36/802042336.db2.gz XXBQYHXGOICMGT-QWHCGFSZSA-N 2 2 278.356 -0.059 20 0 CBADLP NC(=O)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC001049929771 802043317 /nfs/dbraw/zinc/04/33/17/802043317.db2.gz CGBKXQNJDRIFOL-VXGBXAGGSA-N 2 2 291.355 -0.566 20 0 CBADLP NC(=O)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC001049929771 802043321 /nfs/dbraw/zinc/04/33/21/802043321.db2.gz CGBKXQNJDRIFOL-VXGBXAGGSA-N 2 2 291.355 -0.566 20 0 CBADLP NC(=O)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC001049929763 802043927 /nfs/dbraw/zinc/04/39/27/802043927.db2.gz CGBKXQNJDRIFOL-RYUDHWBXSA-N 2 2 291.355 -0.566 20 0 CBADLP NC(=O)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC001049929763 802043937 /nfs/dbraw/zinc/04/39/37/802043937.db2.gz CGBKXQNJDRIFOL-RYUDHWBXSA-N 2 2 291.355 -0.566 20 0 CBADLP NC(=O)C[NH+]1CCC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001050681777 802070921 /nfs/dbraw/zinc/07/09/21/802070921.db2.gz SLFJDVZXVUZYQB-UHFFFAOYSA-N 2 2 291.355 -0.638 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N1CC2(C1)CC[NH+](CCO)CC2 ZINC001050709190 802072092 /nfs/dbraw/zinc/07/20/92/802072092.db2.gz MIVISVMVQGHMKB-UHFFFAOYSA-N 2 2 278.356 -0.131 20 0 CBADLP CC[NH2+]C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001051885296 802171346 /nfs/dbraw/zinc/17/13/46/802171346.db2.gz YYHMJULYVYVUJP-JTQLQIEISA-N 2 2 252.318 -0.211 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCC[N@H+](CCO)CC1 ZINC001052864920 802221984 /nfs/dbraw/zinc/22/19/84/802221984.db2.gz ARHHYDGSZNVBJF-GFCCVEGCSA-N 2 2 280.372 -0.074 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCC[N@@H+](CCO)CC1 ZINC001052864920 802221989 /nfs/dbraw/zinc/22/19/89/802221989.db2.gz ARHHYDGSZNVBJF-GFCCVEGCSA-N 2 2 280.372 -0.074 20 0 CBADLP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCC3(C[NH+](CCO)C3)O2)C1 ZINC001053698150 802274602 /nfs/dbraw/zinc/27/46/02/802274602.db2.gz DZHYKOAYIXKIOQ-STQMWFEESA-N 2 2 297.399 -0.720 20 0 CBADLP C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCC3(C[NH+](CCO)C3)O2)C1 ZINC001053698150 802274609 /nfs/dbraw/zinc/27/46/09/802274609.db2.gz DZHYKOAYIXKIOQ-STQMWFEESA-N 2 2 297.399 -0.720 20 0 CBADLP C[C@@H](O)C[NH+]1CC2(C1)C[C@@H](NC(=O)C[NH+]1CCCC1)CO2 ZINC001054009338 802322665 /nfs/dbraw/zinc/32/26/65/802322665.db2.gz UPNIPAJGXLAPFM-CHWSQXEVSA-N 2 2 297.399 -0.578 20 0 CBADLP C[C@@H](O)C[NH+]1CC2(C1)C[C@H](NC(=O)C[NH+]1CCCC1)CO2 ZINC001054009339 802324523 /nfs/dbraw/zinc/32/45/23/802324523.db2.gz UPNIPAJGXLAPFM-OLZOCXBDSA-N 2 2 297.399 -0.578 20 0 CBADLP C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1[NH2+]CC(N)=O ZINC001054925018 802378773 /nfs/dbraw/zinc/37/87/73/802378773.db2.gz KHCJMKAUFAKERF-GHMZBOCLSA-N 2 2 293.371 -0.726 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC001117405364 812398070 /nfs/dbraw/zinc/39/80/70/812398070.db2.gz AUEXMAOCNNKFGI-GFCCVEGCSA-N 2 2 252.318 -0.855 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC001117405364 812398081 /nfs/dbraw/zinc/39/80/81/812398081.db2.gz AUEXMAOCNNKFGI-GFCCVEGCSA-N 2 2 252.318 -0.855 20 0 CBADLP [NH3+]C[C@@H]1C[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@H]1C(F)(F)F ZINC001119618769 812836006 /nfs/dbraw/zinc/83/60/06/812836006.db2.gz RGRCZFKPDGKIFH-KGDYZURWSA-N 3 2 267.295 -0.094 20 0 CBADLP [NH3+]C[C@@H]1C[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@H]1C(F)(F)F ZINC001119618769 812836010 /nfs/dbraw/zinc/83/60/10/812836010.db2.gz RGRCZFKPDGKIFH-KGDYZURWSA-N 3 2 267.295 -0.094 20 0 CBADLP COCCOCC[NH+]1CCN(C(=O)[C@@H]2C[C@@H]2C[NH3+])CC1 ZINC001122125963 813121372 /nfs/dbraw/zinc/12/13/72/813121372.db2.gz CTMLEFWPADYRFL-CHWSQXEVSA-N 2 2 285.388 -0.612 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC001322434178 803895888 /nfs/dbraw/zinc/89/58/88/803895888.db2.gz IAXSLOQXPVULSB-ZDUSSCGKSA-N 2 2 266.345 -0.465 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC001322434178 803895896 /nfs/dbraw/zinc/89/58/96/803895896.db2.gz IAXSLOQXPVULSB-ZDUSSCGKSA-N 2 2 266.345 -0.465 20 0 CBADLP CN(CCC[NH2+]CC(=O)NC1CC1)C(=O)Cc1[nH]cc[nH+]1 ZINC001322754483 803935122 /nfs/dbraw/zinc/93/51/22/803935122.db2.gz AEPGUJABWRUKMP-UHFFFAOYSA-N 2 2 293.371 -0.331 20 0 CBADLP C[C@H](O)C[NH2+]C[C@@H](NC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001323121178 803978931 /nfs/dbraw/zinc/97/89/31/803978931.db2.gz ABTHOPPZRANGJD-CMPLNLGQSA-N 2 2 266.345 -0.252 20 0 CBADLP COCCOCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001323277060 804001251 /nfs/dbraw/zinc/00/12/51/804001251.db2.gz IYSWFRGRQZBJLB-UONOGXRCSA-N 2 2 299.415 -0.066 20 0 CBADLP COCCOCC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001323277060 804001261 /nfs/dbraw/zinc/00/12/61/804001261.db2.gz IYSWFRGRQZBJLB-UONOGXRCSA-N 2 2 299.415 -0.066 20 0 CBADLP COCCOCC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001323277060 804001271 /nfs/dbraw/zinc/00/12/71/804001271.db2.gz IYSWFRGRQZBJLB-UONOGXRCSA-N 2 2 299.415 -0.066 20 0 CBADLP COCCOCC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001323277060 804001277 /nfs/dbraw/zinc/00/12/77/804001277.db2.gz IYSWFRGRQZBJLB-UONOGXRCSA-N 2 2 299.415 -0.066 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CC[N@@H+]1CCCO ZINC001323341170 804011367 /nfs/dbraw/zinc/01/13/67/804011367.db2.gz SWYIJHZBXJHRQV-LLVKDONJSA-N 2 2 266.345 -0.166 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CC[N@H+]1CCCO ZINC001323341170 804011375 /nfs/dbraw/zinc/01/13/75/804011375.db2.gz SWYIJHZBXJHRQV-LLVKDONJSA-N 2 2 266.345 -0.166 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)NC[C@H]1CC[N@@H+]1CCO ZINC001323341142 804011437 /nfs/dbraw/zinc/01/14/37/804011437.db2.gz SGPGCZLHJQWFTE-GFCCVEGCSA-N 2 2 266.345 -0.465 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)NC[C@H]1CC[N@H+]1CCO ZINC001323341142 804011445 /nfs/dbraw/zinc/01/14/45/804011445.db2.gz SGPGCZLHJQWFTE-GFCCVEGCSA-N 2 2 266.345 -0.465 20 0 CBADLP CN(C)C(=O)C[N@@H+]1CC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001323340091 804012544 /nfs/dbraw/zinc/01/25/44/804012544.db2.gz LOVZARKEIJOKDI-CYBMUJFWSA-N 2 2 298.431 -0.003 20 0 CBADLP CN(C)C(=O)C[N@H+]1CC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001323340091 804012553 /nfs/dbraw/zinc/01/25/53/804012553.db2.gz LOVZARKEIJOKDI-CYBMUJFWSA-N 2 2 298.431 -0.003 20 0 CBADLP CCOCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001323355611 804012934 /nfs/dbraw/zinc/01/29/34/804012934.db2.gz FEGCGZUXPLHJAB-KGLIPLIRSA-N 2 2 299.415 -0.066 20 0 CBADLP CCOCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001323355611 804012940 /nfs/dbraw/zinc/01/29/40/804012940.db2.gz FEGCGZUXPLHJAB-KGLIPLIRSA-N 2 2 299.415 -0.066 20 0 CBADLP C[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](C)C[C@H]2CO)C1 ZINC001149367763 814987400 /nfs/dbraw/zinc/98/74/00/814987400.db2.gz JOBVCPUJMATAFA-NEPJUHHUSA-N 2 2 255.362 -0.537 20 0 CBADLP C[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)C[C@H]2CO)C1 ZINC001149367763 814987406 /nfs/dbraw/zinc/98/74/06/814987406.db2.gz JOBVCPUJMATAFA-NEPJUHHUSA-N 2 2 255.362 -0.537 20 0 CBADLP C[C@@H]1CC[NH+](CC(=O)N2CC[N@H+](C)C[C@H]2CO)C1 ZINC001149367763 814987412 /nfs/dbraw/zinc/98/74/12/814987412.db2.gz JOBVCPUJMATAFA-NEPJUHHUSA-N 2 2 255.362 -0.537 20 0 CBADLP C[C@@H]1CC[NH+](CC(=O)N2CC[N@@H+](C)C[C@H]2CO)C1 ZINC001149367763 814987417 /nfs/dbraw/zinc/98/74/17/814987417.db2.gz JOBVCPUJMATAFA-NEPJUHHUSA-N 2 2 255.362 -0.537 20 0 CBADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001324089284 804104225 /nfs/dbraw/zinc/10/42/25/804104225.db2.gz UZEQATCKOOXIMC-NSHDSACASA-N 2 2 251.334 -0.755 20 0 CBADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001324089284 804104231 /nfs/dbraw/zinc/10/42/31/804104231.db2.gz UZEQATCKOOXIMC-NSHDSACASA-N 2 2 251.334 -0.755 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)NCC[NH2+]Cc1cnnn1C ZINC001149558702 814999390 /nfs/dbraw/zinc/99/93/90/814999390.db2.gz KCTSBPORCUEUOD-UHFFFAOYSA-N 2 2 291.359 -0.613 20 0 CBADLP CCNC(=O)C[NH2+]CCNC(=O)CCc1c[nH+]cn1C ZINC001149557811 814999522 /nfs/dbraw/zinc/99/95/22/814999522.db2.gz BRYXBOLZBVIZQR-UHFFFAOYSA-N 2 2 281.360 -0.805 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)NCC[NH2+][C@H]1CCCNC1=O ZINC001149558685 814999682 /nfs/dbraw/zinc/99/96/82/814999682.db2.gz JYDGYWGMDKXBDP-LBPRGKRZSA-N 2 2 293.371 -0.663 20 0 CBADLP C[NH+]1CCN(C(=O)C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC001324905295 804209203 /nfs/dbraw/zinc/20/92/03/804209203.db2.gz CKYDVJHFXRLMPH-CYBMUJFWSA-N 2 2 294.399 -0.543 20 0 CBADLP C[NH+]1CCN(C(=O)C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)CC1 ZINC001324905295 804209210 /nfs/dbraw/zinc/20/92/10/804209210.db2.gz CKYDVJHFXRLMPH-CYBMUJFWSA-N 2 2 294.399 -0.543 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]CCNC(=O)CCc1c[nH+]cn1C ZINC001149570833 815000385 /nfs/dbraw/zinc/00/03/85/815000385.db2.gz BPVNVUNTKHYBOG-JTQLQIEISA-N 2 2 281.360 -0.807 20 0 CBADLP CCCNC(=O)C[NH2+]CCNC(=O)CCc1c[nH+]cn1C ZINC001149559920 815001005 /nfs/dbraw/zinc/00/10/05/815001005.db2.gz ZHAGOMJJDXOYMM-UHFFFAOYSA-N 2 2 295.387 -0.415 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)CCc1c[nH+]cn1C ZINC001149570834 815001140 /nfs/dbraw/zinc/00/11/40/815001140.db2.gz BPVNVUNTKHYBOG-SNVBAGLBSA-N 2 2 281.360 -0.807 20 0 CBADLP CCOCC[N@@H+]1CC[C@@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001325167831 804252368 /nfs/dbraw/zinc/25/23/68/804252368.db2.gz CLZDQGGQTLAURP-CQSZACIVSA-N 2 2 296.371 -0.527 20 0 CBADLP CCOCC[N@H+]1CC[C@@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001325167831 804252378 /nfs/dbraw/zinc/25/23/78/804252378.db2.gz CLZDQGGQTLAURP-CQSZACIVSA-N 2 2 296.371 -0.527 20 0 CBADLP CCOCCC[NH+]1CC(O)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001325189845 804255808 /nfs/dbraw/zinc/25/58/08/804255808.db2.gz MGNZMFYWVTVLEJ-ZDUSSCGKSA-N 2 2 299.415 -0.330 20 0 CBADLP CCOCCC[NH+]1CC(O)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001325189845 804255811 /nfs/dbraw/zinc/25/58/11/804255811.db2.gz MGNZMFYWVTVLEJ-ZDUSSCGKSA-N 2 2 299.415 -0.330 20 0 CBADLP CC[NH+]1CC(O)(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001325263009 804266509 /nfs/dbraw/zinc/26/65/09/804266509.db2.gz DOZAHHONPCOENI-NSHDSACASA-N 2 2 255.362 -0.347 20 0 CBADLP CC[NH+]1CC(O)(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001325263009 804266518 /nfs/dbraw/zinc/26/65/18/804266518.db2.gz DOZAHHONPCOENI-NSHDSACASA-N 2 2 255.362 -0.347 20 0 CBADLP Cc1cc(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)on1 ZINC001325871566 804328484 /nfs/dbraw/zinc/32/84/84/804328484.db2.gz PQAXVLJSJBMMET-GFCCVEGCSA-N 2 2 268.361 -0.319 20 0 CBADLP CC(=O)N1CC[NH+]([C@H]2CCN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001065712975 805091879 /nfs/dbraw/zinc/09/18/79/805091879.db2.gz JJQHPQSPTBCPGV-AWEZNQCLSA-N 2 2 296.415 -0.297 20 0 CBADLP Cc1nonc1C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151049390 815055083 /nfs/dbraw/zinc/05/50/83/815055083.db2.gz MWQXFPDLLBDYFI-SNVBAGLBSA-N 2 2 267.333 -0.464 20 0 CBADLP Cc1nonc1C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151049390 815055087 /nfs/dbraw/zinc/05/50/87/815055087.db2.gz MWQXFPDLLBDYFI-SNVBAGLBSA-N 2 2 267.333 -0.464 20 0 CBADLP CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001070946004 805204171 /nfs/dbraw/zinc/20/41/71/805204171.db2.gz LOXRUGBHWYTBLB-ZDUSSCGKSA-N 2 2 296.415 -0.249 20 0 CBADLP CC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001070946004 805204175 /nfs/dbraw/zinc/20/41/75/805204175.db2.gz LOXRUGBHWYTBLB-ZDUSSCGKSA-N 2 2 296.415 -0.249 20 0 CBADLP CC[NH+]1CCNC(=O)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001070946004 805204181 /nfs/dbraw/zinc/20/41/81/805204181.db2.gz LOXRUGBHWYTBLB-ZDUSSCGKSA-N 2 2 296.415 -0.249 20 0 CBADLP CC[NH+]1CCNC(=O)CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001070946004 805204184 /nfs/dbraw/zinc/20/41/84/805204184.db2.gz LOXRUGBHWYTBLB-ZDUSSCGKSA-N 2 2 296.415 -0.249 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC(N)=O)C1 ZINC001071689175 805256441 /nfs/dbraw/zinc/25/64/41/805256441.db2.gz GYYNAVTVWNZVGE-CMPLNLGQSA-N 2 2 293.371 -0.354 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC(N)=O)C1 ZINC001071689175 805256445 /nfs/dbraw/zinc/25/64/45/805256445.db2.gz GYYNAVTVWNZVGE-CMPLNLGQSA-N 2 2 293.371 -0.354 20 0 CBADLP O=C(C[NH+]1CCCC1)NCC[NH2+]Cc1cnsn1 ZINC001151097019 815061204 /nfs/dbraw/zinc/06/12/04/815061204.db2.gz JJSKXXYLAPTFPK-UHFFFAOYSA-N 2 2 269.374 -0.160 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NCC[NH2+][C@@H](C)c1nnnn1C ZINC001151114480 815061788 /nfs/dbraw/zinc/06/17/88/815061788.db2.gz NPXWKOZZSDMVSC-VIFPVBQESA-N 2 2 292.347 -0.818 20 0 CBADLP CCc1nnc(C[NH2+]CCNC(=O)C[NH+]2CCCC2)o1 ZINC001151098357 815062376 /nfs/dbraw/zinc/06/23/76/815062376.db2.gz YAOPHOUYEBNEFE-UHFFFAOYSA-N 2 2 281.360 -0.066 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NCC[NH2+]Cc1cnon1 ZINC001151121661 815063714 /nfs/dbraw/zinc/06/37/14/815063714.db2.gz KARIQNITTJORCN-UHFFFAOYSA-N 2 2 264.289 -0.519 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CCC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001073016119 805356989 /nfs/dbraw/zinc/35/69/89/805356989.db2.gz JSZAODZANYYSKR-SNVBAGLBSA-N 2 2 291.355 -0.640 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001073016119 805356996 /nfs/dbraw/zinc/35/69/96/805356996.db2.gz JSZAODZANYYSKR-SNVBAGLBSA-N 2 2 291.355 -0.640 20 0 CBADLP C[C@@H](O)C[N@@H+]1CCC2(CN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001073128188 805361543 /nfs/dbraw/zinc/36/15/43/805361543.db2.gz VARDXGDORBFWSH-GFCCVEGCSA-N 2 2 292.383 -0.122 20 0 CBADLP C[C@@H](O)C[N@H+]1CCC2(CN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001073128188 805361554 /nfs/dbraw/zinc/36/15/54/805361554.db2.gz VARDXGDORBFWSH-GFCCVEGCSA-N 2 2 292.383 -0.122 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CCC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001073483828 805372408 /nfs/dbraw/zinc/37/24/08/805372408.db2.gz OUTFAWGUBZUTIA-NSHDSACASA-N 2 2 291.355 -0.709 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001073483828 805372418 /nfs/dbraw/zinc/37/24/18/805372418.db2.gz OUTFAWGUBZUTIA-NSHDSACASA-N 2 2 291.355 -0.709 20 0 CBADLP C[C@@H]([NH2+][C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)[C@H]1C)C(N)=O ZINC001074629249 805462871 /nfs/dbraw/zinc/46/28/71/805462871.db2.gz LKYZXFGBUBYPNW-VWYCJHECSA-N 2 2 293.371 -0.205 20 0 CBADLP C[C@@H]([NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@H]1C)C(N)=O ZINC001075144823 805485062 /nfs/dbraw/zinc/48/50/62/805485062.db2.gz QTQRLJHRRSNTEC-VWYCJHECSA-N 2 2 279.344 -0.664 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](CCCO)C[C@H]32)C1 ZINC001075643577 805519457 /nfs/dbraw/zinc/51/94/57/805519457.db2.gz CZXSOUXQEUWWMH-BFHYXJOUSA-N 2 2 297.399 -0.768 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](CCCO)C[C@H]32)C1 ZINC001075643577 805519460 /nfs/dbraw/zinc/51/94/60/805519460.db2.gz CZXSOUXQEUWWMH-BFHYXJOUSA-N 2 2 297.399 -0.768 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@H+](CCCO)C[C@H]32)C1 ZINC001075643577 805519465 /nfs/dbraw/zinc/51/94/65/805519465.db2.gz CZXSOUXQEUWWMH-BFHYXJOUSA-N 2 2 297.399 -0.768 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CCCO)C[C@H]32)C1 ZINC001075643577 805519467 /nfs/dbraw/zinc/51/94/67/805519467.db2.gz CZXSOUXQEUWWMH-BFHYXJOUSA-N 2 2 297.399 -0.768 20 0 CBADLP CC[C@H](C(=O)N1CC[C@H]2C[N@H+](CC(N)=O)C[C@H]21)[NH+](C)C ZINC001075940305 805544527 /nfs/dbraw/zinc/54/45/27/805544527.db2.gz ILHZYLFVPAGZBF-QJPTWQEYSA-N 2 2 282.388 -0.655 20 0 CBADLP CC[C@H](C(=O)N1CC[C@H]2C[N@@H+](CC(N)=O)C[C@H]21)[NH+](C)C ZINC001075940305 805544532 /nfs/dbraw/zinc/54/45/32/805544532.db2.gz ILHZYLFVPAGZBF-QJPTWQEYSA-N 2 2 282.388 -0.655 20 0 CBADLP CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](CC(=O)NC)C[C@H]21)[NH+](C)C ZINC001076253991 805564647 /nfs/dbraw/zinc/56/46/47/805564647.db2.gz ZDRZWHHCSYDZCO-RWMBFGLXSA-N 2 2 296.415 -0.395 20 0 CBADLP CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC)C[C@H]21)[NH+](C)C ZINC001076253991 805564652 /nfs/dbraw/zinc/56/46/52/805564652.db2.gz ZDRZWHHCSYDZCO-RWMBFGLXSA-N 2 2 296.415 -0.395 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2nnc(C)[nH]2)C1 ZINC001151740245 815089968 /nfs/dbraw/zinc/08/99/68/815089968.db2.gz QUGWXJZQQVBESS-LLVKDONJSA-N 2 2 296.375 -0.960 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2nnc(C)[nH]2)C1 ZINC001151740245 815089974 /nfs/dbraw/zinc/08/99/74/815089974.db2.gz QUGWXJZQQVBESS-LLVKDONJSA-N 2 2 296.375 -0.960 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2nncs2)C1 ZINC001151740465 815090880 /nfs/dbraw/zinc/09/08/80/815090880.db2.gz UDHNLLQKFFQHCG-JTQLQIEISA-N 2 2 299.400 -0.535 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2nncs2)C1 ZINC001151740465 815090886 /nfs/dbraw/zinc/09/08/86/815090886.db2.gz UDHNLLQKFFQHCG-JTQLQIEISA-N 2 2 299.400 -0.535 20 0 CBADLP C[NH+](C)[C@H](C(=O)NCC[NH2+]CCO)c1cccnc1 ZINC001152618830 815131782 /nfs/dbraw/zinc/13/17/82/815131782.db2.gz SIJFPPLPDCDOCJ-LBPRGKRZSA-N 2 2 266.345 -0.618 20 0 CBADLP COC[C@H](O)C[NH2+]CCNC(=O)CCCn1cc[nH+]c1 ZINC001153345395 815159057 /nfs/dbraw/zinc/15/90/57/815159057.db2.gz UISYPJZSMVYQMV-GFCCVEGCSA-N 2 2 284.360 -0.624 20 0 CBADLP CN(C)C(=O)C[NH2+]CCNC(=O)CCCn1cc[nH+]c1 ZINC001153345522 815159510 /nfs/dbraw/zinc/15/95/10/815159510.db2.gz YWTLXFZWBHAILW-UHFFFAOYSA-N 2 2 281.360 -0.543 20 0 CBADLP C[C@H]([NH2+]CCNC(=O)CCCn1cc[nH+]c1)C(=O)N(C)C ZINC001153351131 815159862 /nfs/dbraw/zinc/15/98/62/815159862.db2.gz OOJBSPMEFSTTJI-LBPRGKRZSA-N 2 2 295.387 -0.154 20 0 CBADLP O=C(CCCn1cc[nH+]c1)NCC[NH2+]CCCO ZINC001153350848 815159879 /nfs/dbraw/zinc/15/98/79/815159879.db2.gz LFFCWADVXUYUHR-UHFFFAOYSA-N 2 2 254.334 -0.249 20 0 CBADLP CN1CC[C@@H]([NH2+]CCNC(=O)CCCn2cc[nH+]c2)C1=O ZINC001153350579 815160011 /nfs/dbraw/zinc/16/00/11/815160011.db2.gz CSZIHUANBWXPAP-GFCCVEGCSA-N 2 2 293.371 -0.400 20 0 CBADLP O=C(Cn1cc[nH+]c1)NCC[NH2+]CCn1cccn1 ZINC001153496228 815164125 /nfs/dbraw/zinc/16/41/25/815164125.db2.gz WQWKYQDSGRGRLS-UHFFFAOYSA-N 2 2 262.317 -0.514 20 0 CBADLP O=C(Cn1cc[nH+]c1)NCC[NH2+]CC(=O)NC1CCCC1 ZINC001153487818 815164370 /nfs/dbraw/zinc/16/43/70/815164370.db2.gz RSYGORGXWWBAOV-UHFFFAOYSA-N 2 2 293.371 -0.352 20 0 CBADLP CC(C)COC[C@@H](O)C[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153500478 815164653 /nfs/dbraw/zinc/16/46/53/815164653.db2.gz LTXKQKSEPJZHDR-ZDUSSCGKSA-N 2 2 298.387 -0.378 20 0 CBADLP Cn1cc2c(n1)CCN(C(=O)C1([NH3+])CC[NH2+]CC1)C2 ZINC001160556766 815637627 /nfs/dbraw/zinc/63/76/27/815637627.db2.gz BCDTZRGMSAVWAL-UHFFFAOYSA-N 2 2 263.345 -0.614 20 0 CBADLP CCOC(=O)[C@@H]1CCCCN1C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001160580818 815641288 /nfs/dbraw/zinc/64/12/88/815641288.db2.gz CHLCZGLLXMLLHG-DCAQKATOSA-N 2 2 269.345 -0.523 20 0 CBADLP CS(=O)(=O)CCNc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC001154926497 815250123 /nfs/dbraw/zinc/25/01/23/815250123.db2.gz CILKYIUJMZZJHV-UHFFFAOYSA-N 2 2 284.385 -0.052 20 0 CBADLP COC(=O)[C@@H]([NH3+])C1CCN(c2ncc3c(n2)C[NH2+]C3)CC1 ZINC001155153329 815267263 /nfs/dbraw/zinc/26/72/63/815267263.db2.gz PQLIRJPMLUCAHZ-LBPRGKRZSA-N 2 2 291.355 -0.204 20 0 CBADLP C[N@@H+]1CCO[C@@H](CNc2ncnc3c2CC[NH2+]C3)C1 ZINC001155192992 815268592 /nfs/dbraw/zinc/26/85/92/815268592.db2.gz BPPADNKTQLZDFG-JTQLQIEISA-N 2 2 263.345 -0.135 20 0 CBADLP C[N@H+]1CCO[C@@H](CNc2ncnc3c2CC[NH2+]C3)C1 ZINC001155192992 815268596 /nfs/dbraw/zinc/26/85/96/815268596.db2.gz BPPADNKTQLZDFG-JTQLQIEISA-N 2 2 263.345 -0.135 20 0 CBADLP Nc1nc(NCc2cc(=O)n3c(n2)C[NH2+]CCC3)cc[nH+]1 ZINC001155490487 815288083 /nfs/dbraw/zinc/28/80/83/815288083.db2.gz YIWNJOBGALFNLU-UHFFFAOYSA-N 2 2 287.327 -0.279 20 0 CBADLP CC[N@H+](CCO)[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001156016400 815330614 /nfs/dbraw/zinc/33/06/14/815330614.db2.gz BFMXTUZUVWHMMI-SNVBAGLBSA-N 2 2 254.334 -0.229 20 0 CBADLP CC[N@@H+](CCO)[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001156016400 815330621 /nfs/dbraw/zinc/33/06/21/815330621.db2.gz BFMXTUZUVWHMMI-SNVBAGLBSA-N 2 2 254.334 -0.229 20 0 CBADLP O=C(N1CCN(CCF)CC1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160629583 815646647 /nfs/dbraw/zinc/64/66/47/815646647.db2.gz RIWGZEGWAZPKKQ-YPMHNXCESA-N 2 2 270.352 -0.948 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]Cc2csnn2)C1 ZINC001156145237 815340102 /nfs/dbraw/zinc/34/01/02/815340102.db2.gz KMDPMUDCROYZCU-NSHDSACASA-N 2 2 299.400 -0.535 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]Cc2csnn2)C1 ZINC001156145237 815340109 /nfs/dbraw/zinc/34/01/09/815340109.db2.gz KMDPMUDCROYZCU-NSHDSACASA-N 2 2 299.400 -0.535 20 0 CBADLP NC(=O)[C@@H]1CCCN1c1cc(N2CC[C@H]([NH3+])C2)nc[nH+]1 ZINC001156232736 815347734 /nfs/dbraw/zinc/34/77/34/815347734.db2.gz ISPKLYQRFUUGRW-UWVGGRQHSA-N 2 2 276.344 -0.532 20 0 CBADLP COC(=O)[C@@H]1C[C@H](Nc2ncc3c(n2)C[NH2+]C3)C[NH2+]1 ZINC001156243546 815351388 /nfs/dbraw/zinc/35/13/88/815351388.db2.gz YXBATIRORQSCCR-IUCAKERBSA-N 2 2 263.301 -0.605 20 0 CBADLP COC(=O)[C@@H]1C[C@H](Nc2ncc(C)c(C3C[NH2+]C3)n2)C[NH2+]1 ZINC001156250719 815351654 /nfs/dbraw/zinc/35/16/54/815351654.db2.gz GIVMDKWUONHEHN-QWRGUYRKSA-N 2 2 291.355 -0.213 20 0 CBADLP O=C(NC[C@H]1C[C@H]([NH2+]CCO)C1)[C@H]1CCc2[nH+]ccn2C1 ZINC001086407199 810267960 /nfs/dbraw/zinc/26/79/60/810267960.db2.gz WCAAVFHHNOUYCN-AVGNSLFASA-N 2 2 292.383 -0.078 20 0 CBADLP O=C(NC[C@H]1C[C@H]([NH2+]CCO)C1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001086407200 810268310 /nfs/dbraw/zinc/26/83/10/810268310.db2.gz WCAAVFHHNOUYCN-JHJVBQTASA-N 2 2 292.383 -0.078 20 0 CBADLP NC(=O)C[NH2+][C@H]1CCCCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001088433710 810329868 /nfs/dbraw/zinc/32/98/68/810329868.db2.gz CXPGACWRCGTMMT-LBPRGKRZSA-N 2 2 293.371 -0.271 20 0 CBADLP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@H]1C ZINC001088506537 810336792 /nfs/dbraw/zinc/33/67/92/810336792.db2.gz YRJVNHNBHGGUPJ-AGIUHOORSA-N 2 2 285.388 -0.458 20 0 CBADLP COCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@H]1C ZINC001088506537 810336799 /nfs/dbraw/zinc/33/67/99/810336799.db2.gz YRJVNHNBHGGUPJ-AGIUHOORSA-N 2 2 285.388 -0.458 20 0 CBADLP COCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)[C@H]1C ZINC001088506537 810336805 /nfs/dbraw/zinc/33/68/05/810336805.db2.gz YRJVNHNBHGGUPJ-AGIUHOORSA-N 2 2 285.388 -0.458 20 0 CBADLP COCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H]1C ZINC001088506537 810336813 /nfs/dbraw/zinc/33/68/13/810336813.db2.gz YRJVNHNBHGGUPJ-AGIUHOORSA-N 2 2 285.388 -0.458 20 0 CBADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC(N)=O)[C@@H]1C ZINC001088605624 810345139 /nfs/dbraw/zinc/34/51/39/810345139.db2.gz YRFLSIUYSZENCO-FRRDWIJNSA-N 2 2 296.415 -0.075 20 0 CBADLP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC(N)=O)[C@@H]1C ZINC001088605624 810345144 /nfs/dbraw/zinc/34/51/44/810345144.db2.gz YRFLSIUYSZENCO-FRRDWIJNSA-N 2 2 296.415 -0.075 20 0 CBADLP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC(N)=O)[C@@H]1C ZINC001088605624 810345151 /nfs/dbraw/zinc/34/51/51/810345151.db2.gz YRFLSIUYSZENCO-FRRDWIJNSA-N 2 2 296.415 -0.075 20 0 CBADLP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)[C@@H]1C ZINC001088605624 810345156 /nfs/dbraw/zinc/34/51/56/810345156.db2.gz YRFLSIUYSZENCO-FRRDWIJNSA-N 2 2 296.415 -0.075 20 0 CBADLP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC(N)=O)[C@@H]1C ZINC001088605623 810345988 /nfs/dbraw/zinc/34/59/88/810345988.db2.gz YRFLSIUYSZENCO-AGIUHOORSA-N 2 2 296.415 -0.075 20 0 CBADLP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC(N)=O)[C@@H]1C ZINC001088605623 810345992 /nfs/dbraw/zinc/34/59/92/810345992.db2.gz YRFLSIUYSZENCO-AGIUHOORSA-N 2 2 296.415 -0.075 20 0 CBADLP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC(N)=O)[C@@H]1C ZINC001088605623 810345998 /nfs/dbraw/zinc/34/59/98/810345998.db2.gz YRFLSIUYSZENCO-AGIUHOORSA-N 2 2 296.415 -0.075 20 0 CBADLP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)[C@@H]1C ZINC001088605623 810346007 /nfs/dbraw/zinc/34/60/07/810346007.db2.gz YRFLSIUYSZENCO-AGIUHOORSA-N 2 2 296.415 -0.075 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@H]1C ZINC001088666937 810349944 /nfs/dbraw/zinc/34/99/44/810349944.db2.gz VDSKHDMKGBVCLI-FRRDWIJNSA-N 2 2 296.415 -0.204 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@H]1C ZINC001088666937 810349952 /nfs/dbraw/zinc/34/99/52/810349952.db2.gz VDSKHDMKGBVCLI-FRRDWIJNSA-N 2 2 296.415 -0.204 20 0 CBADLP CNC(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)[C@H]1C ZINC001088666937 810349957 /nfs/dbraw/zinc/34/99/57/810349957.db2.gz VDSKHDMKGBVCLI-FRRDWIJNSA-N 2 2 296.415 -0.204 20 0 CBADLP CNC(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)[C@H]1C ZINC001088666937 810349960 /nfs/dbraw/zinc/34/99/60/810349960.db2.gz VDSKHDMKGBVCLI-FRRDWIJNSA-N 2 2 296.415 -0.204 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1CC(N)=O ZINC001088983859 810371588 /nfs/dbraw/zinc/37/15/88/810371588.db2.gz SJVWCYMXYVJACA-MNOVXSKESA-N 2 2 280.372 -0.854 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@H+]1CC(N)=O ZINC001088983859 810371596 /nfs/dbraw/zinc/37/15/96/810371596.db2.gz SJVWCYMXYVJACA-MNOVXSKESA-N 2 2 280.372 -0.854 20 0 CBADLP C[NH2+][C@@H]1CCN1c1ccnc(N2CC[NH+](C)CC2)n1 ZINC001156660297 815372922 /nfs/dbraw/zinc/37/29/22/815372922.db2.gz NOSWQAHSSSDSBD-NSHDSACASA-N 2 2 262.361 -0.016 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](CCF)C[C@H]1O ZINC001090434145 810497799 /nfs/dbraw/zinc/49/77/99/810497799.db2.gz VQSLEWUDJCISGH-VXGBXAGGSA-N 2 2 284.335 -0.288 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](CCF)C[C@H]1O ZINC001090434145 810497801 /nfs/dbraw/zinc/49/78/01/810497801.db2.gz VQSLEWUDJCISGH-VXGBXAGGSA-N 2 2 284.335 -0.288 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CC[N@@H+](CCCF)C[C@@H]1O ZINC001090675699 810546517 /nfs/dbraw/zinc/54/65/17/810546517.db2.gz KKRYEVPBLJVZTE-QWRGUYRKSA-N 2 2 284.335 -0.137 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CC[N@H+](CCCF)C[C@@H]1O ZINC001090675699 810546523 /nfs/dbraw/zinc/54/65/23/810546523.db2.gz KKRYEVPBLJVZTE-QWRGUYRKSA-N 2 2 284.335 -0.137 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CC[N@@H+](CC2CC2)C[C@H]1O ZINC001090675161 810546823 /nfs/dbraw/zinc/54/68/23/810546823.db2.gz GMWPLFHUTHELCF-NWDGAFQWSA-N 2 2 278.356 -0.086 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CC[N@H+](CC2CC2)C[C@H]1O ZINC001090675161 810546828 /nfs/dbraw/zinc/54/68/28/810546828.db2.gz GMWPLFHUTHELCF-NWDGAFQWSA-N 2 2 278.356 -0.086 20 0 CBADLP CC(C)[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001090727197 810555452 /nfs/dbraw/zinc/55/54/52/810555452.db2.gz IIHNHXALOQTIDD-OLZOCXBDSA-N 2 2 280.372 -0.078 20 0 CBADLP CC(C)[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001090727197 810555458 /nfs/dbraw/zinc/55/54/58/810555458.db2.gz IIHNHXALOQTIDD-OLZOCXBDSA-N 2 2 280.372 -0.078 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[N@H+](CC2CC2)C[C@@H]1O ZINC001090725272 810555801 /nfs/dbraw/zinc/55/58/01/810555801.db2.gz AJAGLFKPLLJQGP-KGLIPLIRSA-N 2 2 292.383 -0.076 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C[C@@H]1O ZINC001090725272 810555809 /nfs/dbraw/zinc/55/58/09/810555809.db2.gz AJAGLFKPLLJQGP-KGLIPLIRSA-N 2 2 292.383 -0.076 20 0 CBADLP CC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H](O)C1 ZINC001090728338 810556373 /nfs/dbraw/zinc/55/63/73/810556373.db2.gz RFGWVMRPFRHOSP-NWDGAFQWSA-N 2 2 266.345 -0.466 20 0 CBADLP CC[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H](O)C1 ZINC001090728338 810556377 /nfs/dbraw/zinc/55/63/77/810556377.db2.gz RFGWVMRPFRHOSP-NWDGAFQWSA-N 2 2 266.345 -0.466 20 0 CBADLP CC(C)[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001090727199 810557851 /nfs/dbraw/zinc/55/78/51/810557851.db2.gz IIHNHXALOQTIDD-STQMWFEESA-N 2 2 280.372 -0.078 20 0 CBADLP CC(C)[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001090727199 810557859 /nfs/dbraw/zinc/55/78/59/810557859.db2.gz IIHNHXALOQTIDD-STQMWFEESA-N 2 2 280.372 -0.078 20 0 CBADLP COCC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](O)C1 ZINC001090763448 810561589 /nfs/dbraw/zinc/56/15/89/810561589.db2.gz IKOFOVLHDQCENA-YPMHNXCESA-N 2 2 296.371 -0.542 20 0 CBADLP COCC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](O)C1 ZINC001090763448 810561595 /nfs/dbraw/zinc/56/15/95/810561595.db2.gz IKOFOVLHDQCENA-YPMHNXCESA-N 2 2 296.371 -0.542 20 0 CBADLP O=C(C[NH+]1CCCC1)N[C@@H]1CC[N@@H+](CCF)C[C@H]1O ZINC001090812530 810570756 /nfs/dbraw/zinc/57/07/56/810570756.db2.gz GKPKYEBAQQOJQN-VXGBXAGGSA-N 2 2 273.352 -0.397 20 0 CBADLP O=C(C[NH+]1CCCC1)N[C@@H]1CC[N@H+](CCF)C[C@H]1O ZINC001090812530 810570761 /nfs/dbraw/zinc/57/07/61/810570761.db2.gz GKPKYEBAQQOJQN-VXGBXAGGSA-N 2 2 273.352 -0.397 20 0 CBADLP O=C(C[NH+]1CCCC1)N[C@H]1CC[N@@H+](CCF)C[C@H]1O ZINC001090812528 810570901 /nfs/dbraw/zinc/57/09/01/810570901.db2.gz GKPKYEBAQQOJQN-NWDGAFQWSA-N 2 2 273.352 -0.397 20 0 CBADLP O=C(C[NH+]1CCCC1)N[C@H]1CC[N@H+](CCF)C[C@H]1O ZINC001090812528 810570906 /nfs/dbraw/zinc/57/09/06/810570906.db2.gz GKPKYEBAQQOJQN-NWDGAFQWSA-N 2 2 273.352 -0.397 20 0 CBADLP CC(C)[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001090847880 810574489 /nfs/dbraw/zinc/57/44/89/810574489.db2.gz CBGMGOVTJIHDQU-NEPJUHHUSA-N 2 2 266.345 -0.157 20 0 CBADLP CC(C)[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001090847880 810574493 /nfs/dbraw/zinc/57/44/93/810574493.db2.gz CBGMGOVTJIHDQU-NEPJUHHUSA-N 2 2 266.345 -0.157 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[N@@H+](CC2CC2)C[C@H]1O ZINC001090847353 810575745 /nfs/dbraw/zinc/57/57/45/810575745.db2.gz SARUWNVUGMTEBK-QWHCGFSZSA-N 2 2 278.356 -0.156 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[N@H+](CC2CC2)C[C@H]1O ZINC001090847353 810575748 /nfs/dbraw/zinc/57/57/48/810575748.db2.gz SARUWNVUGMTEBK-QWHCGFSZSA-N 2 2 278.356 -0.156 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[N@@H+](CCCF)C[C@@H]1O ZINC001090847285 810575969 /nfs/dbraw/zinc/57/59/69/810575969.db2.gz QLKFBWCXYKLOBF-RYUDHWBXSA-N 2 2 284.335 -0.206 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[N@H+](CCCF)C[C@@H]1O ZINC001090847285 810575972 /nfs/dbraw/zinc/57/59/72/810575972.db2.gz QLKFBWCXYKLOBF-RYUDHWBXSA-N 2 2 284.335 -0.206 20 0 CBADLP COCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+](C)CCO1)C2 ZINC001095267190 810743424 /nfs/dbraw/zinc/74/34/24/810743424.db2.gz YVFJWWYYKXVHIF-RFGFWPKPSA-N 2 2 297.399 -0.315 20 0 CBADLP COCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+](C)CCO1)C2 ZINC001095267190 810743430 /nfs/dbraw/zinc/74/34/30/810743430.db2.gz YVFJWWYYKXVHIF-RFGFWPKPSA-N 2 2 297.399 -0.315 20 0 CBADLP COCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C2 ZINC001095267190 810743434 /nfs/dbraw/zinc/74/34/34/810743434.db2.gz YVFJWWYYKXVHIF-RFGFWPKPSA-N 2 2 297.399 -0.315 20 0 CBADLP COCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C2 ZINC001095267190 810743439 /nfs/dbraw/zinc/74/34/39/810743439.db2.gz YVFJWWYYKXVHIF-RFGFWPKPSA-N 2 2 297.399 -0.315 20 0 CBADLP COCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](C)CCO1)C2 ZINC001095267191 810743641 /nfs/dbraw/zinc/74/36/41/810743641.db2.gz YVFJWWYYKXVHIF-ZOBORPQBSA-N 2 2 297.399 -0.315 20 0 CBADLP COCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](C)CCO1)C2 ZINC001095267191 810743647 /nfs/dbraw/zinc/74/36/47/810743647.db2.gz YVFJWWYYKXVHIF-ZOBORPQBSA-N 2 2 297.399 -0.315 20 0 CBADLP COCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C2 ZINC001095267191 810743652 /nfs/dbraw/zinc/74/36/52/810743652.db2.gz YVFJWWYYKXVHIF-ZOBORPQBSA-N 2 2 297.399 -0.315 20 0 CBADLP COCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C2 ZINC001095267191 810743656 /nfs/dbraw/zinc/74/36/56/810743656.db2.gz YVFJWWYYKXVHIF-ZOBORPQBSA-N 2 2 297.399 -0.315 20 0 CBADLP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(N)=O ZINC001096012709 810766264 /nfs/dbraw/zinc/76/62/64/810766264.db2.gz WNEPKDRVTUYDIP-NDBYEHHHSA-N 2 2 294.399 -0.323 20 0 CBADLP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(N)=O ZINC001096012709 810766266 /nfs/dbraw/zinc/76/62/66/810766266.db2.gz WNEPKDRVTUYDIP-NDBYEHHHSA-N 2 2 294.399 -0.323 20 0 CBADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001096012709 810766267 /nfs/dbraw/zinc/76/62/67/810766267.db2.gz WNEPKDRVTUYDIP-NDBYEHHHSA-N 2 2 294.399 -0.323 20 0 CBADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001096012709 810766270 /nfs/dbraw/zinc/76/62/70/810766270.db2.gz WNEPKDRVTUYDIP-NDBYEHHHSA-N 2 2 294.399 -0.323 20 0 CBADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(N)=O)CC[N@@H+]1C ZINC001097101436 810798154 /nfs/dbraw/zinc/79/81/54/810798154.db2.gz PGCNEQIHCRYAFM-VEGXAWMVSA-N 2 2 294.399 -0.467 20 0 CBADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(N)=O)CC[N@H+]1C ZINC001097101436 810798161 /nfs/dbraw/zinc/79/81/61/810798161.db2.gz PGCNEQIHCRYAFM-VEGXAWMVSA-N 2 2 294.399 -0.467 20 0 CBADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(N)=O)CC[NH+]1C ZINC001097101436 810798163 /nfs/dbraw/zinc/79/81/63/810798163.db2.gz PGCNEQIHCRYAFM-VEGXAWMVSA-N 2 2 294.399 -0.467 20 0 CBADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(N)=O)CC[NH+]1C ZINC001097101436 810798167 /nfs/dbraw/zinc/79/81/67/810798167.db2.gz PGCNEQIHCRYAFM-VEGXAWMVSA-N 2 2 294.399 -0.467 20 0 CBADLP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(N)=O ZINC001097848922 810824248 /nfs/dbraw/zinc/82/42/48/810824248.db2.gz WNEPKDRVTUYDIP-LPWJVIDDSA-N 2 2 294.399 -0.323 20 0 CBADLP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(N)=O ZINC001097848922 810824253 /nfs/dbraw/zinc/82/42/53/810824253.db2.gz WNEPKDRVTUYDIP-LPWJVIDDSA-N 2 2 294.399 -0.323 20 0 CBADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001097848922 810824260 /nfs/dbraw/zinc/82/42/60/810824260.db2.gz WNEPKDRVTUYDIP-LPWJVIDDSA-N 2 2 294.399 -0.323 20 0 CBADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001097848922 810824267 /nfs/dbraw/zinc/82/42/67/810824267.db2.gz WNEPKDRVTUYDIP-LPWJVIDDSA-N 2 2 294.399 -0.323 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@]12CCC[C@H]1C[NH+](CC(N)=O)C2 ZINC001098760814 810858509 /nfs/dbraw/zinc/85/85/09/810858509.db2.gz JSLUQEQCNXEJRY-HUBLWGQQSA-N 2 2 294.399 -0.463 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)N[C@]12CCC[C@H]1C[NH+](CC(N)=O)C2 ZINC001098760814 810858515 /nfs/dbraw/zinc/85/85/15/810858515.db2.gz JSLUQEQCNXEJRY-HUBLWGQQSA-N 2 2 294.399 -0.463 20 0 CBADLP C[NH+]1CCC[C@H]1C(=O)N[C@]12CCC[C@H]1C[N@H+](CC(N)=O)C2 ZINC001098760814 810858521 /nfs/dbraw/zinc/85/85/21/810858521.db2.gz JSLUQEQCNXEJRY-HUBLWGQQSA-N 2 2 294.399 -0.463 20 0 CBADLP C[NH+]1CCC[C@H]1C(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(N)=O)C2 ZINC001098760814 810858529 /nfs/dbraw/zinc/85/85/29/810858529.db2.gz JSLUQEQCNXEJRY-HUBLWGQQSA-N 2 2 294.399 -0.463 20 0 CBADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NCc1cc2n(n1)CCCO2 ZINC001157082067 815403824 /nfs/dbraw/zinc/40/38/24/815403824.db2.gz HCUMYYDWODLQQW-LLVKDONJSA-N 2 2 290.327 -0.425 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)N[C@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001099871771 810956494 /nfs/dbraw/zinc/95/64/94/810956494.db2.gz JYFNKINHNGFUBF-STQMWFEESA-N 2 2 296.371 -0.724 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)N[C@H]1CC[N@H+](CCCO)C[C@@H]1O ZINC001099871771 810956499 /nfs/dbraw/zinc/95/64/99/810956499.db2.gz JYFNKINHNGFUBF-STQMWFEESA-N 2 2 296.371 -0.724 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)N[C@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001099871771 810956504 /nfs/dbraw/zinc/95/65/04/810956504.db2.gz JYFNKINHNGFUBF-STQMWFEESA-N 2 2 296.371 -0.724 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)N[C@H]1CC[N@H+](CCCO)C[C@@H]1O ZINC001099871771 810956507 /nfs/dbraw/zinc/95/65/07/810956507.db2.gz JYFNKINHNGFUBF-STQMWFEESA-N 2 2 296.371 -0.724 20 0 CBADLP COCC[N@@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001099872119 810956592 /nfs/dbraw/zinc/95/65/92/810956592.db2.gz PCWMMASKNQOEEI-STQMWFEESA-N 2 2 296.371 -0.460 20 0 CBADLP COCC[N@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001099872119 810956600 /nfs/dbraw/zinc/95/66/00/810956600.db2.gz PCWMMASKNQOEEI-STQMWFEESA-N 2 2 296.371 -0.460 20 0 CBADLP CC[N@@H+]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)[C@@H](O)C1 ZINC001099926808 810969827 /nfs/dbraw/zinc/96/98/27/810969827.db2.gz RVOBHRXOKSDSSI-RYUDHWBXSA-N 2 2 280.372 -0.076 20 0 CBADLP CC[N@H+]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)[C@@H](O)C1 ZINC001099926808 810969830 /nfs/dbraw/zinc/96/98/30/810969830.db2.gz RVOBHRXOKSDSSI-RYUDHWBXSA-N 2 2 280.372 -0.076 20 0 CBADLP CC[N@@H+]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)[C@@H](O)C1 ZINC001100094196 811020768 /nfs/dbraw/zinc/02/07/68/811020768.db2.gz IOELQBQCJOWLKU-STQMWFEESA-N 2 2 280.372 -0.076 20 0 CBADLP CC[N@H+]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)[C@@H](O)C1 ZINC001100094196 811020777 /nfs/dbraw/zinc/02/07/77/811020777.db2.gz IOELQBQCJOWLKU-STQMWFEESA-N 2 2 280.372 -0.076 20 0 CBADLP COCCC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H](O)C1 ZINC001100136465 811028184 /nfs/dbraw/zinc/02/81/84/811028184.db2.gz NESFTYBKFLCBDC-QWHCGFSZSA-N 2 2 296.371 -0.529 20 0 CBADLP COCCC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H](O)C1 ZINC001100136465 811028191 /nfs/dbraw/zinc/02/81/91/811028191.db2.gz NESFTYBKFLCBDC-QWHCGFSZSA-N 2 2 296.371 -0.529 20 0 CBADLP COC[C@@H](O)C[NH2+]CCCNC(=O)CCc1[nH]cc[nH+]1 ZINC001157264464 815415729 /nfs/dbraw/zinc/41/57/29/815415729.db2.gz GAQDYILZIHBHCK-NSHDSACASA-N 2 2 284.360 -0.555 20 0 CBADLP O=C(CCc1[nH]cc[nH+]1)NCCC[NH2+][C@@H]1CCCNC1=O ZINC001157264049 815415754 /nfs/dbraw/zinc/41/57/54/815415754.db2.gz ASHYPHULOQOQHT-LLVKDONJSA-N 2 2 293.371 -0.283 20 0 CBADLP C[C@@H](O)C[NH2+]CCCNC(=O)CCc1[nH]cc[nH+]1 ZINC001157265494 815415973 /nfs/dbraw/zinc/41/59/73/815415973.db2.gz SSRZCNBWNBXIBU-SNVBAGLBSA-N 2 2 254.334 -0.181 20 0 CBADLP O=C(CCc1[nH]cc[nH+]1)NCCC[NH2+][C@@H]1CCNC1=O ZINC001157265476 815416025 /nfs/dbraw/zinc/41/60/25/815416025.db2.gz SEWQTEAEEHCKSV-SNVBAGLBSA-N 2 2 279.344 -0.673 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]CCCNC(=O)CCc1[nH]cc[nH+]1 ZINC001157265751 815416235 /nfs/dbraw/zinc/41/62/35/815416235.db2.gz VVPCIJXYVSXARI-JTQLQIEISA-N 2 2 281.360 -0.427 20 0 CBADLP NC(=O)C[NH2+]C1CC(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001100550440 811062579 /nfs/dbraw/zinc/06/25/79/811062579.db2.gz JVBYKLSLSBFKCE-UHFFFAOYSA-N 2 2 279.344 -0.757 20 0 CBADLP CC[C@H]([NH2+]C1CC(CNC(=O)Cc2c[nH]c[nH+]2)C1)C(N)=O ZINC001100710078 811074837 /nfs/dbraw/zinc/07/48/37/811074837.db2.gz BAPMVIZMRYLYSM-CBINBANVSA-N 2 2 293.371 -0.300 20 0 CBADLP CC[C@@H]([NH2+]C1CC(CNC(=O)Cc2[nH]cc[nH+]2)C1)C(N)=O ZINC001100790100 811079996 /nfs/dbraw/zinc/07/99/96/811079996.db2.gz OKOXTDKFWFMTAG-VQXHTEKXSA-N 2 2 293.371 -0.300 20 0 CBADLP C[C@@H]([NH2+]C1CC(CNC(=O)Cc2[nH]cc[nH+]2)C1)C(N)=O ZINC001100790114 811080377 /nfs/dbraw/zinc/08/03/77/811080377.db2.gz PGSLHECZYJYJFJ-XNWIYYODSA-N 2 2 279.344 -0.690 20 0 CBADLP CC[N@H+](CCO)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001157294261 815419963 /nfs/dbraw/zinc/41/99/63/815419963.db2.gz VYLPEIVLKPPBCX-LLVKDONJSA-N 2 2 254.334 -0.298 20 0 CBADLP CC[N@@H+](CCO)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001157294261 815419966 /nfs/dbraw/zinc/41/99/66/815419966.db2.gz VYLPEIVLKPPBCX-LLVKDONJSA-N 2 2 254.334 -0.298 20 0 CBADLP C[C@@H](O)C[NH2+]C1CC(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001101071318 811094376 /nfs/dbraw/zinc/09/43/76/811094376.db2.gz CBCWFAMRMUFEOL-VOMCLLRMSA-N 2 2 266.345 -0.252 20 0 CBADLP CNC(=O)C[NH2+]C1CC(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001101070366 811094914 /nfs/dbraw/zinc/09/49/14/811094914.db2.gz QRULKOTXMVLADG-UHFFFAOYSA-N 2 2 279.344 -0.887 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]C1CC(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001101071479 811095022 /nfs/dbraw/zinc/09/50/22/811095022.db2.gz KGPXGQKBECCHLG-VOMCLLRMSA-N 2 2 293.371 -0.498 20 0 CBADLP C[C@@H]1C[N@H+](CCO)C[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001102407850 811156523 /nfs/dbraw/zinc/15/65/23/811156523.db2.gz OLOKOWRREAJSCC-GHMZBOCLSA-N 2 2 266.345 -0.371 20 0 CBADLP C[C@@H]1C[N@@H+](CCO)C[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001102407850 811156528 /nfs/dbraw/zinc/15/65/28/811156528.db2.gz OLOKOWRREAJSCC-GHMZBOCLSA-N 2 2 266.345 -0.371 20 0 CBADLP Cn1cc[nH+]c1CCNC(=O)[C@@H]([NH3+])CC[S@](C)=O ZINC001157421594 815431851 /nfs/dbraw/zinc/43/18/51/815431851.db2.gz GPTWHJZKCPQITP-YYSFKGJASA-N 2 2 272.374 -0.825 20 0 CBADLP Cn1cc[nH+]c1CCNC(=O)[C@@]1(N)CCC[NH2+]C1 ZINC001157424070 815432942 /nfs/dbraw/zinc/43/29/42/815432942.db2.gz VPCLXTZAFLKPRV-GFCCVEGCSA-N 2 2 251.334 -0.840 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001106704850 811315596 /nfs/dbraw/zinc/31/55/96/811315596.db2.gz FSKLVKUBACYRBR-GHMZBOCLSA-N 2 2 293.371 -0.618 20 0 CBADLP CNC(=O)C1CCN(C(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)CC1 ZINC001157495928 815438361 /nfs/dbraw/zinc/43/83/61/815438361.db2.gz ORVYXBZYDLWFHS-LBPRGKRZSA-N 2 2 293.371 -0.726 20 0 CBADLP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C)C(N)=O ZINC001107078711 811324867 /nfs/dbraw/zinc/32/48/67/811324867.db2.gz JWIKVGQADOXOCY-IJLUTSLNSA-N 2 2 293.371 -0.559 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@]1(C)C[NH+](CCCO)CCO1 ZINC001107817418 811374551 /nfs/dbraw/zinc/37/45/51/811374551.db2.gz QLGUBODBLATCAH-DZGCQCFKSA-N 2 2 299.415 -0.330 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@]1(C)C[NH+](CCCO)CCO1 ZINC001107817418 811374558 /nfs/dbraw/zinc/37/45/58/811374558.db2.gz QLGUBODBLATCAH-DZGCQCFKSA-N 2 2 299.415 -0.330 20 0 CBADLP C[NH+]1CCC[C@H]1C(=O)NC[C@]1(C)C[N@H+](CCCO)CCO1 ZINC001107817418 811374567 /nfs/dbraw/zinc/37/45/67/811374567.db2.gz QLGUBODBLATCAH-DZGCQCFKSA-N 2 2 299.415 -0.330 20 0 CBADLP C[NH+]1CCC[C@H]1C(=O)NC[C@]1(C)C[N@@H+](CCCO)CCO1 ZINC001107817418 811374580 /nfs/dbraw/zinc/37/45/80/811374580.db2.gz QLGUBODBLATCAH-DZGCQCFKSA-N 2 2 299.415 -0.330 20 0 CBADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC(N2CC(F)C2)C1 ZINC001157527299 815442795 /nfs/dbraw/zinc/44/27/95/815442795.db2.gz LPQQYVQIFXTABW-LLVKDONJSA-N 2 2 267.308 -0.856 20 0 CBADLP CCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001107839604 811382319 /nfs/dbraw/zinc/38/23/19/811382319.db2.gz QTGDHSRDFNSBID-HIFRSBDPSA-N 2 2 299.415 -0.066 20 0 CBADLP CCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001107839604 811382332 /nfs/dbraw/zinc/38/23/32/811382332.db2.gz QTGDHSRDFNSBID-HIFRSBDPSA-N 2 2 299.415 -0.066 20 0 CBADLP CCC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001107839604 811382337 /nfs/dbraw/zinc/38/23/37/811382337.db2.gz QTGDHSRDFNSBID-HIFRSBDPSA-N 2 2 299.415 -0.066 20 0 CBADLP CCC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001107839604 811382347 /nfs/dbraw/zinc/38/23/47/811382347.db2.gz QTGDHSRDFNSBID-HIFRSBDPSA-N 2 2 299.415 -0.066 20 0 CBADLP CCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001107839605 811382614 /nfs/dbraw/zinc/38/26/14/811382614.db2.gz QTGDHSRDFNSBID-UKRRQHHQSA-N 2 2 299.415 -0.066 20 0 CBADLP CCC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001107839605 811382620 /nfs/dbraw/zinc/38/26/20/811382620.db2.gz QTGDHSRDFNSBID-UKRRQHHQSA-N 2 2 299.415 -0.066 20 0 CBADLP CCC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001107839605 811382625 /nfs/dbraw/zinc/38/26/25/811382625.db2.gz QTGDHSRDFNSBID-UKRRQHHQSA-N 2 2 299.415 -0.066 20 0 CBADLP CCC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001107839605 811382633 /nfs/dbraw/zinc/38/26/33/811382633.db2.gz QTGDHSRDFNSBID-UKRRQHHQSA-N 2 2 299.415 -0.066 20 0 CBADLP C[NH+](C)[C@H](C(=O)NC[C@@]1(C)C[N@H+](CCO)CCO1)C1CC1 ZINC001107998869 811402077 /nfs/dbraw/zinc/40/20/77/811402077.db2.gz UETOZBJRHWHGEY-ZFWWWQNUSA-N 2 2 299.415 -0.474 20 0 CBADLP C[NH+](C)[C@H](C(=O)NC[C@@]1(C)C[N@@H+](CCO)CCO1)C1CC1 ZINC001107998869 811402082 /nfs/dbraw/zinc/40/20/82/811402082.db2.gz UETOZBJRHWHGEY-ZFWWWQNUSA-N 2 2 299.415 -0.474 20 0 CBADLP CC[C@H](C(=O)NC[C@@]1(C)C[N@H+](CCO)CCO1)[NH+](C)C ZINC001108023332 811404611 /nfs/dbraw/zinc/40/46/11/811404611.db2.gz ZHXHQDKJDRKXGO-OCCSQVGLSA-N 2 2 287.404 -0.474 20 0 CBADLP CC[C@H](C(=O)NC[C@@]1(C)C[N@@H+](CCO)CCO1)[NH+](C)C ZINC001108023332 811404617 /nfs/dbraw/zinc/40/46/17/811404617.db2.gz ZHXHQDKJDRKXGO-OCCSQVGLSA-N 2 2 287.404 -0.474 20 0 CBADLP O=C(N1CCc2cnccc2C1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001157568324 815446268 /nfs/dbraw/zinc/44/62/68/815446268.db2.gz RPEHBWGQAMZJKI-UKRRQHHQSA-N 2 2 272.352 -0.082 20 0 CBADLP C[C@H]1CCC[N@@H+]1CC(=O)NC[C@@]1(C)C[NH+](CCO)CCO1 ZINC001108213417 811424438 /nfs/dbraw/zinc/42/44/38/811424438.db2.gz OLDQFCKJUCPHFK-ZFWWWQNUSA-N 2 2 299.415 -0.330 20 0 CBADLP C[C@H]1CCC[N@H+]1CC(=O)NC[C@@]1(C)C[NH+](CCO)CCO1 ZINC001108213417 811424443 /nfs/dbraw/zinc/42/44/43/811424443.db2.gz OLDQFCKJUCPHFK-ZFWWWQNUSA-N 2 2 299.415 -0.330 20 0 CBADLP C[C@H]1CCC[NH+]1CC(=O)NC[C@@]1(C)C[N@H+](CCO)CCO1 ZINC001108213417 811424450 /nfs/dbraw/zinc/42/44/50/811424450.db2.gz OLDQFCKJUCPHFK-ZFWWWQNUSA-N 2 2 299.415 -0.330 20 0 CBADLP C[C@H]1CCC[NH+]1CC(=O)NC[C@@]1(C)C[N@@H+](CCO)CCO1 ZINC001108213417 811424455 /nfs/dbraw/zinc/42/44/55/811424455.db2.gz OLDQFCKJUCPHFK-ZFWWWQNUSA-N 2 2 299.415 -0.330 20 0 CBADLP CC[NH+](CC)CC(=O)NC[C@]1(C)C[N@H+](CCO)CCO1 ZINC001108287489 811433009 /nfs/dbraw/zinc/43/30/09/811433009.db2.gz UUAJNLRHWNLPPH-CQSZACIVSA-N 2 2 287.404 -0.472 20 0 CBADLP CC[NH+](CC)CC(=O)NC[C@]1(C)C[N@@H+](CCO)CCO1 ZINC001108287489 811433013 /nfs/dbraw/zinc/43/30/13/811433013.db2.gz UUAJNLRHWNLPPH-CQSZACIVSA-N 2 2 287.404 -0.472 20 0 CBADLP C[C@H](O)C[N@@H+]1CCO[C@](C)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001108439414 811445173 /nfs/dbraw/zinc/44/51/73/811445173.db2.gz JSWBIXLLAYCIOM-GXTWGEPZSA-N 2 2 296.371 -0.529 20 0 CBADLP C[C@H](O)C[N@H+]1CCO[C@](C)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001108439414 811445180 /nfs/dbraw/zinc/44/51/80/811445180.db2.gz JSWBIXLLAYCIOM-GXTWGEPZSA-N 2 2 296.371 -0.529 20 0 CBADLP COCC[N@@H+]1CCO[C@](C)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001108399427 811446691 /nfs/dbraw/zinc/44/66/91/811446691.db2.gz PBWVXKPTBBBEFJ-OAHLLOKOSA-N 2 2 299.415 -0.064 20 0 CBADLP COCC[N@H+]1CCO[C@](C)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001108399427 811446694 /nfs/dbraw/zinc/44/66/94/811446694.db2.gz PBWVXKPTBBBEFJ-OAHLLOKOSA-N 2 2 299.415 -0.064 20 0 CBADLP COC(=O)[C@H]1C[C@@H](C(=O)N2CC(C)([NH3+])C2)CC[NH2+]1 ZINC001157644691 815450484 /nfs/dbraw/zinc/45/04/84/815450484.db2.gz VSZXOARXVOQLSF-DTWKUNHWSA-N 2 2 255.318 -0.913 20 0 CBADLP C[N@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(N)=O)C1CCC1 ZINC001109410821 811495280 /nfs/dbraw/zinc/49/52/80/811495280.db2.gz XJQDOAFSOOLCFF-AGIUHOORSA-N 2 2 294.399 -0.323 20 0 CBADLP C[N@@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(N)=O)C1CCC1 ZINC001109410821 811495285 /nfs/dbraw/zinc/49/52/85/811495285.db2.gz XJQDOAFSOOLCFF-AGIUHOORSA-N 2 2 294.399 -0.323 20 0 CBADLP C[NH+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O)C1CCC1 ZINC001109410821 811495289 /nfs/dbraw/zinc/49/52/89/811495289.db2.gz XJQDOAFSOOLCFF-AGIUHOORSA-N 2 2 294.399 -0.323 20 0 CBADLP C[NH+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O)C1CCC1 ZINC001109410821 811495292 /nfs/dbraw/zinc/49/52/92/811495292.db2.gz XJQDOAFSOOLCFF-AGIUHOORSA-N 2 2 294.399 -0.323 20 0 CBADLP C[NH+](C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O)C1CC1 ZINC001109402257 811495780 /nfs/dbraw/zinc/49/57/80/811495780.db2.gz LBXDQUFLDYEGEX-UHXUPSOCSA-N 2 2 294.399 -0.467 20 0 CBADLP C[NH+](C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O)C1CC1 ZINC001109402257 811495785 /nfs/dbraw/zinc/49/57/85/811495785.db2.gz LBXDQUFLDYEGEX-UHXUPSOCSA-N 2 2 294.399 -0.467 20 0 CBADLP CN(Cc1ncccn1)C(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001157681418 815452705 /nfs/dbraw/zinc/45/27/05/815452705.db2.gz HACRTEYFAVYQFQ-MFKMUULPSA-N 2 2 261.329 -0.614 20 0 CBADLP C[C@@H]1CN(C(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)CCCO1 ZINC001157703964 815453714 /nfs/dbraw/zinc/45/37/14/815453714.db2.gz UBMGZZXMTANPNR-MWLCHTKSSA-N 2 2 252.318 -0.083 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)CCCO1 ZINC001157703415 815454082 /nfs/dbraw/zinc/45/40/82/815454082.db2.gz OPIDBGIQAVMEBY-UZWSLXQKSA-N 2 2 253.346 -0.154 20 0 CBADLP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O)C1CC1 ZINC001110666436 811529389 /nfs/dbraw/zinc/52/93/89/811529389.db2.gz LBXDQUFLDYEGEX-NRWUCQMLSA-N 2 2 294.399 -0.467 20 0 CBADLP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O)C1CC1 ZINC001110666436 811529393 /nfs/dbraw/zinc/52/93/93/811529393.db2.gz LBXDQUFLDYEGEX-NRWUCQMLSA-N 2 2 294.399 -0.467 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)CCCO1 ZINC001157703961 815454497 /nfs/dbraw/zinc/45/44/97/815454497.db2.gz UBMGZZXMTANPNR-KOLCDFICSA-N 2 2 252.318 -0.083 20 0 CBADLP [NH3+]C1(C(=O)N2CCOCC(F)(F)C2)CC[NH2+]CC1 ZINC001157708442 815455323 /nfs/dbraw/zinc/45/53/23/815455323.db2.gz PPBCOKNJYRFPRD-UHFFFAOYSA-N 2 2 263.288 -0.439 20 0 CBADLP CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC)[NH+](C)C ZINC001111036450 811539245 /nfs/dbraw/zinc/53/92/45/811539245.db2.gz WZGMUUPFAOVISB-NDBYEHHHSA-N 2 2 296.415 -0.206 20 0 CBADLP CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC)[NH+](C)C ZINC001111036450 811539251 /nfs/dbraw/zinc/53/92/51/811539251.db2.gz WZGMUUPFAOVISB-NDBYEHHHSA-N 2 2 296.415 -0.206 20 0 CBADLP O=C(N1CCOCC(F)(F)C1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001157708555 815455777 /nfs/dbraw/zinc/45/57/77/815455777.db2.gz WAICUUQJJOEQQR-BXKDBHETSA-N 2 2 275.299 -0.568 20 0 CBADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(N)=O ZINC001111303810 811544169 /nfs/dbraw/zinc/54/41/69/811544169.db2.gz AJKPVOVLOQQXIS-UPJWGTAASA-N 2 2 296.415 -0.075 20 0 CBADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(N)=O ZINC001111303810 811544172 /nfs/dbraw/zinc/54/41/72/811544172.db2.gz AJKPVOVLOQQXIS-UPJWGTAASA-N 2 2 296.415 -0.075 20 0 CBADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001111303810 811544178 /nfs/dbraw/zinc/54/41/78/811544178.db2.gz AJKPVOVLOQQXIS-UPJWGTAASA-N 2 2 296.415 -0.075 20 0 CBADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001111303810 811544180 /nfs/dbraw/zinc/54/41/80/811544180.db2.gz AJKPVOVLOQQXIS-UPJWGTAASA-N 2 2 296.415 -0.075 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CC(F)(F)CC[C@H]1CO ZINC001157729995 815458166 /nfs/dbraw/zinc/45/81/66/815458166.db2.gz GGIKKUNNSRDHBL-CIUDSAMLSA-N 2 2 263.288 -0.848 20 0 CBADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H](F)C[C@@H](CO)C1 ZINC001157730768 815459233 /nfs/dbraw/zinc/45/92/33/815459233.db2.gz ONDQXRYETDVFHV-KKZNHRDASA-N 2 2 270.308 -0.542 20 0 CBADLP O=C(N1CC(F)(F)CC[C@@H]1CO)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001157730930 815459323 /nfs/dbraw/zinc/45/93/23/815459323.db2.gz UPCQETRQSJYXHI-OPQQBVKSSA-N 2 2 289.326 -0.444 20 0 CBADLP [NH3+]C1(C(=O)N2CCC[C@H](F)C(=O)C2)CC[NH2+]CC1 ZINC001157730916 815459427 /nfs/dbraw/zinc/45/94/27/815459427.db2.gz UKWOYIXGCBVTQY-VIFPVBQESA-N 2 2 257.309 -0.403 20 0 CBADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CC(F)(F)CC[C@@H]1CO ZINC001157730910 815459684 /nfs/dbraw/zinc/45/96/84/815459684.db2.gz UIKOFTNICFGCRM-ZRUFSTJUSA-N 2 2 289.326 -0.445 20 0 CBADLP CC[NH+](CC)C[C@H](F)C(=O)N1CC[NH+](CCO)CC1 ZINC001112908600 811610525 /nfs/dbraw/zinc/61/05/25/811610525.db2.gz BNYCTWRTXAQLSL-LBPRGKRZSA-N 2 2 275.368 -0.197 20 0 CBADLP COC[C@@H](O)C[NH+]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001112964848 811612792 /nfs/dbraw/zinc/61/27/92/811612792.db2.gz AVINUYQHIQJZJA-KBPBESRZSA-N 2 2 299.415 -0.522 20 0 CBADLP C[NH+](C)[C@H](C(=O)N1CC[NH+](CCOCCO)CC1)C1CC1 ZINC001112965754 811613802 /nfs/dbraw/zinc/61/38/02/811613802.db2.gz MZAQFJPZALPJOC-AWEZNQCLSA-N 2 2 299.415 -0.520 20 0 CBADLP CC[C@@H](C(=O)N1CC[NH+](C[C@@H](O)COC)CC1)[NH+](C)C ZINC001113351119 811632941 /nfs/dbraw/zinc/63/29/41/811632941.db2.gz MQGGBNCHSQAMIT-OLZOCXBDSA-N 2 2 287.404 -0.522 20 0 CBADLP COC(=O)[C@H]1C[N@H+](C)CCN1c1ncc2c(n1)CC[NH2+]C2 ZINC001157770640 815465098 /nfs/dbraw/zinc/46/50/98/815465098.db2.gz OFIHCLDXDIZRRZ-GFCCVEGCSA-N 2 2 291.355 -0.584 20 0 CBADLP COC(=O)[C@H]1C[N@@H+](C)CCN1c1ncc2c(n1)CC[NH2+]C2 ZINC001157770640 815465100 /nfs/dbraw/zinc/46/51/00/815465100.db2.gz OFIHCLDXDIZRRZ-GFCCVEGCSA-N 2 2 291.355 -0.584 20 0 CBADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@](O)(CF)CC1 ZINC001157781980 815466037 /nfs/dbraw/zinc/46/60/37/815466037.db2.gz WGAPATUULKWIIQ-YPMHNXCESA-N 2 2 284.335 -0.007 20 0 CBADLP C[C@@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001157844301 815470354 /nfs/dbraw/zinc/47/03/54/815470354.db2.gz VWXOMMRBBJAHRM-FOGDFJRCSA-N 3 2 265.361 -0.135 20 0 CBADLP C[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH]c[nH+]1 ZINC001114386545 811745922 /nfs/dbraw/zinc/74/59/22/811745922.db2.gz FJNUDVJRWFYKJA-PQFRYHKHSA-N 2 2 278.356 -0.231 20 0 CBADLP C[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH]c[nH+]1 ZINC001114386545 811745931 /nfs/dbraw/zinc/74/59/31/811745931.db2.gz FJNUDVJRWFYKJA-PQFRYHKHSA-N 2 2 278.356 -0.231 20 0 CBADLP C[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH+]c[nH]1 ZINC001114386545 811745939 /nfs/dbraw/zinc/74/59/39/811745939.db2.gz FJNUDVJRWFYKJA-PQFRYHKHSA-N 2 2 278.356 -0.231 20 0 CBADLP C[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH+]c[nH]1 ZINC001114386545 811745945 /nfs/dbraw/zinc/74/59/45/811745945.db2.gz FJNUDVJRWFYKJA-PQFRYHKHSA-N 2 2 278.356 -0.231 20 0 CBADLP O=C(CCn1cc[nH+]c1)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001114652244 811758275 /nfs/dbraw/zinc/75/82/75/811758275.db2.gz JOIFRIBUSNGFQF-PJXYFTJBSA-N 2 2 264.329 -0.688 20 0 CBADLP O=C(CCn1cc[nH+]c1)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001114652244 811758280 /nfs/dbraw/zinc/75/82/80/811758280.db2.gz JOIFRIBUSNGFQF-PJXYFTJBSA-N 2 2 264.329 -0.688 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCCC(=O)[C@@H](F)C1 ZINC001157854975 815473376 /nfs/dbraw/zinc/47/33/76/815473376.db2.gz KRGLFGKTQXNJHO-QWRGUYRKSA-N 2 2 282.319 -0.181 20 0 CBADLP C[C@H]1CC[C@H](CO)CN1C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001157854972 815473633 /nfs/dbraw/zinc/47/36/33/815473633.db2.gz KQWLIVHGBYHCDF-PJSNJIKXSA-N 2 2 267.373 -0.444 20 0 CBADLP [NH3+]C1(C(=O)N2C[C@H](CO)[C@@H](C(F)(F)F)C2)CC[NH2+]CC1 ZINC001157878302 815477010 /nfs/dbraw/zinc/47/70/10/815477010.db2.gz ZAPQZRHMXZHBLN-BDAKNGLRSA-N 2 2 295.305 -0.304 20 0 CBADLP C[C@]1(CO)CCCN(C(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)CC1 ZINC001157901255 815478867 /nfs/dbraw/zinc/47/88/67/815478867.db2.gz YINJHPCGIJFUIP-AEGPPILISA-N 2 2 281.400 -0.051 20 0 CBADLP C[C@H]1CC[C@@H](CO)N1C(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001157914734 815481790 /nfs/dbraw/zinc/48/17/90/815481790.db2.gz MSYVWZWFHKIGRL-NOHGZBONSA-N 2 2 253.346 -0.690 20 0 CBADLP CCOC(=O)c1nccc(NC(=[NH2+])N2CC[NH+](C)CC2)n1 ZINC001157916144 815482158 /nfs/dbraw/zinc/48/21/58/815482158.db2.gz KLKZBXTZJXJOMB-UHFFFAOYSA-N 2 2 292.343 -0.331 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CCC[C@@](F)(CO)CC1 ZINC001157933915 815487515 /nfs/dbraw/zinc/48/75/15/815487515.db2.gz FWSZHIQXLUFMIO-NHCYSSNCSA-N 2 2 259.325 -0.754 20 0 CBADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)N2CC[C@@H](O)[C@H](CO)C2)cc1 ZINC001157937589 815488392 /nfs/dbraw/zinc/48/83/92/815488392.db2.gz XIWLKQPMHFFLNI-MELADBBJSA-N 2 2 293.367 -0.540 20 0 CBADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@](F)(CO)CC1 ZINC001157935398 815488843 /nfs/dbraw/zinc/48/88/43/815488843.db2.gz UVPZUCAAMROXKG-YPMHNXCESA-N 2 2 284.335 -0.007 20 0 CBADLP [NH3+]Cc1nc(=O)[nH]n1-c1ccc(OC2CC[NH2+]CC2)nn1 ZINC001157941012 815489425 /nfs/dbraw/zinc/48/94/25/815489425.db2.gz RFTBNWBOAYEQFF-UHFFFAOYSA-N 2 2 291.315 -0.648 20 0 CBADLP O=C(N1CCc2n[nH]cc2C1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001157988187 815495316 /nfs/dbraw/zinc/49/53/16/815495316.db2.gz BMQBVTQQIOVYRV-ZWNOBZJWSA-N 2 2 261.329 -0.754 20 0 CBADLP O=C(N1CCc2n[nH]cc2C1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001157988175 815495417 /nfs/dbraw/zinc/49/54/17/815495417.db2.gz BMQBVTQQIOVYRV-GWCFXTLKSA-N 2 2 261.329 -0.754 20 0 CBADLP CN(C(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2)[C@H]1CC[C@H](O)CC1 ZINC001157990171 815496087 /nfs/dbraw/zinc/49/60/87/815496087.db2.gz YFFPAPZDRMPZDI-HKUMRIAESA-N 2 2 267.373 -0.300 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@]12CC[C@@H]1C[NH2+]C2 ZINC001157998121 815496761 /nfs/dbraw/zinc/49/67/61/815496761.db2.gz DZEAICRYZKEUAG-UHIISALHSA-N 2 2 281.356 -0.651 20 0 CBADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@H](CC(C)C)[NH2+]C ZINC001157997676 815496997 /nfs/dbraw/zinc/49/69/97/815496997.db2.gz CBURGVCQGTWJLW-NWDGAFQWSA-N 2 2 285.388 -0.016 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@H]1CCCC[NH2+]C1 ZINC001157999707 815497110 /nfs/dbraw/zinc/49/71/10/815497110.db2.gz SLAKPXTXDPBEBG-RYUDHWBXSA-N 2 2 283.372 -0.260 20 0 CBADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@@H]1CCCC[NH2+]1 ZINC001157998939 815497370 /nfs/dbraw/zinc/49/73/70/815497370.db2.gz KWAXXBMWKKGUCV-WDEREUQCSA-N 2 2 269.345 -0.508 20 0 CBADLP COC(=O)[C@@H]1C[C@H](F)CN1C(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001158014891 815498122 /nfs/dbraw/zinc/49/81/22/815498122.db2.gz OUNIVOXZIAFPKT-AVWBDOJWSA-N 2 2 285.319 -0.950 20 0 CBADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@@H]1[C@H]([NH3+])[C@H]2CC[C@@H]1C2 ZINC001158007204 815498180 /nfs/dbraw/zinc/49/81/80/815498180.db2.gz RFWRCXGCEHODLL-RXGFPQBGSA-N 2 2 295.383 -0.277 20 0 CBADLP COC(=O)[C@@H]1C[C@H](F)CN1C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001158015553 815499464 /nfs/dbraw/zinc/49/94/64/815499464.db2.gz SQEWUSQSKDFWLY-YYLDOJIMSA-N 2 2 285.319 -0.680 20 0 CBADLP C[NH+](C)CCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cnon3)C[C@H]21 ZINC001114750890 812156293 /nfs/dbraw/zinc/15/62/93/812156293.db2.gz QHUFEPDHEXSIIF-IMRBUKKESA-N 2 2 293.371 -0.042 20 0 CBADLP C[NH+](C)CCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cnon3)C[C@H]21 ZINC001114750890 812156299 /nfs/dbraw/zinc/15/62/99/812156299.db2.gz QHUFEPDHEXSIIF-IMRBUKKESA-N 2 2 293.371 -0.042 20 0 CBADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N2CCC[C@@]23CCC[NH2+]C3)C1 ZINC001158160196 815506806 /nfs/dbraw/zinc/50/68/06/815506806.db2.gz JFXZYNDNYUHAPA-GMXVVIOVSA-N 3 2 252.362 -0.580 20 0 CBADLP Cn1cc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CC[NH+](C)C)nn1 ZINC001114778769 812160559 /nfs/dbraw/zinc/16/05/59/812160559.db2.gz QTWQNNXTMOJMKF-IMRBUKKESA-N 2 2 292.387 -0.687 20 0 CBADLP Cn1cc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CC[NH+](C)C)nn1 ZINC001114778769 812160563 /nfs/dbraw/zinc/16/05/63/812160563.db2.gz QTWQNNXTMOJMKF-IMRBUKKESA-N 2 2 292.387 -0.687 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CCC[C@]12CCC[NH2+]C2 ZINC001158162324 815507050 /nfs/dbraw/zinc/50/70/50/815507050.db2.gz XHFIAYIQRQTYBB-GVXVVHGQSA-N 3 2 252.362 -0.722 20 0 CBADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001114956354 812168716 /nfs/dbraw/zinc/16/87/16/812168716.db2.gz FUTPGFBYWXNILB-FTYKPCCVSA-N 2 2 278.356 -0.373 20 0 CBADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001114956354 812168718 /nfs/dbraw/zinc/16/87/18/812168718.db2.gz FUTPGFBYWXNILB-FTYKPCCVSA-N 2 2 278.356 -0.373 20 0 CBADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001114956354 812168721 /nfs/dbraw/zinc/16/87/21/812168721.db2.gz FUTPGFBYWXNILB-FTYKPCCVSA-N 2 2 278.356 -0.373 20 0 CBADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001114956354 812168728 /nfs/dbraw/zinc/16/87/28/812168728.db2.gz FUTPGFBYWXNILB-FTYKPCCVSA-N 2 2 278.356 -0.373 20 0 CBADLP COC(=O)Cc1cccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001158203923 815512938 /nfs/dbraw/zinc/51/29/38/815512938.db2.gz JOEYWTPJEQJCSM-SNVBAGLBSA-N 2 2 290.323 -0.155 20 0 CBADLP COC(=O)c1cnc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nc1 ZINC001158204905 815513558 /nfs/dbraw/zinc/51/35/58/815513558.db2.gz USYITPJLSUCOSQ-SECBINFHSA-N 2 2 277.284 -0.689 20 0 CBADLP COCc1ccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nn1 ZINC001158209130 815513708 /nfs/dbraw/zinc/51/37/08/815513708.db2.gz HLASDIXKBKVYFQ-SECBINFHSA-N 2 2 263.301 -0.329 20 0 CBADLP COC(=O)[C@H]1C[C@H](C(=O)N2CC[C@@H]3[NH2+]CC[C@H]32)CC[NH2+]1 ZINC001158207688 815513752 /nfs/dbraw/zinc/51/37/52/815513752.db2.gz AESYKUZQVNVHJZ-WRWGMCAJSA-N 2 2 281.356 -0.510 20 0 CBADLP COC(=O)[C@@H]1C[C@H](C(=O)N2CC[C@@H]3[NH2+]CC[C@H]32)CC[NH2+]1 ZINC001158207687 815513878 /nfs/dbraw/zinc/51/38/78/815513878.db2.gz AESYKUZQVNVHJZ-NOOOWODRSA-N 2 2 281.356 -0.510 20 0 CBADLP COC(=O)c1cccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001158204288 815513898 /nfs/dbraw/zinc/51/38/98/815513898.db2.gz UWYOEWPYNSHQTJ-SECBINFHSA-N 2 2 276.296 -0.084 20 0 CBADLP Cc1nc2nc(-n3c[nH+]cc3C[C@@H]([NH3+])CO)ncc2[nH]1 ZINC001158206429 815514082 /nfs/dbraw/zinc/51/40/82/815514082.db2.gz NXIPGDBIKPJDTB-MRVPVSSYSA-N 2 2 273.300 -0.339 20 0 CBADLP Cc1cnc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c(C[NH3+])c1 ZINC001158206511 815514165 /nfs/dbraw/zinc/51/41/65/815514165.db2.gz SLLBTGOFTRDYFK-LLVKDONJSA-N 3 2 261.329 -0.103 20 0 CBADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CCC2(CCC[NH2+]2)CC1 ZINC001158168190 815508577 /nfs/dbraw/zinc/50/85/77/815508577.db2.gz DCOVFRHZRARLFG-RWMBFGLXSA-N 3 2 278.400 -0.319 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCC3(CCC[NH2+]3)CC2)C1 ZINC001158170096 815509459 /nfs/dbraw/zinc/50/94/59/815509459.db2.gz VLRPCOIAIYLBGI-MNOVXSKESA-N 3 2 252.362 -0.580 20 0 CBADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)N1CC2(C1)CCCO2 ZINC001158241328 815516623 /nfs/dbraw/zinc/51/66/23/815516623.db2.gz UQBYOBNAEGPNSS-GFCCVEGCSA-N 2 2 282.388 -0.872 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCC[C@@H]2[NH2+]C[C@@H]21 ZINC001158414266 815526693 /nfs/dbraw/zinc/52/66/93/815526693.db2.gz FFIQJUOCQSIZSK-SRVKXCTJSA-N 3 2 263.345 -0.747 20 0 CBADLP [NH3+]C1(C(=O)N2C[C@@H]3OCC(F)(F)[C@@H]3C2)CC[NH2+]CC1 ZINC001158320206 815520936 /nfs/dbraw/zinc/52/09/36/815520936.db2.gz SOSKPTKYKSHJAG-BDAKNGLRSA-N 2 2 275.299 -0.440 20 0 CBADLP O=C(N1CC[C@@H]2CCO[C@H]2C1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001158339943 815521336 /nfs/dbraw/zinc/52/13/36/815521336.db2.gz XRTBWYSLBNSZDR-NMKXLXIOSA-N 2 2 265.357 -0.425 20 0 CBADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)N2CCS(=O)(=O)CC2)cc1 ZINC001158368645 815522976 /nfs/dbraw/zinc/52/29/76/815522976.db2.gz HCDBSNQZFUKFIS-GFCCVEGCSA-N 2 2 297.380 -0.484 20 0 CBADLP CC[C@H]1C[N@H+](CC(=O)N2CC[NH2+]CC2)CC[C@@H]1[NH3+] ZINC001118264234 812511331 /nfs/dbraw/zinc/51/13/31/812511331.db2.gz ZCCSJNMVHUGWAC-RYUDHWBXSA-N 3 2 254.378 -0.523 20 0 CBADLP CC[C@H]1C[N@@H+](CC(=O)N2CC[NH2+]CC2)CC[C@@H]1[NH3+] ZINC001118264234 812511332 /nfs/dbraw/zinc/51/13/32/812511332.db2.gz ZCCSJNMVHUGWAC-RYUDHWBXSA-N 3 2 254.378 -0.523 20 0 CBADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H](C2([NH3+])CC2)[C@H](CF)C1 ZINC001158567167 815537893 /nfs/dbraw/zinc/53/78/93/815537893.db2.gz FKTJUIFUYOTHIC-USWWRNFRSA-N 3 2 295.362 -0.185 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2C[C@H](CF)[C@H](C3([NH3+])CC3)C2)C1 ZINC001158576612 815539785 /nfs/dbraw/zinc/53/97/85/815539785.db2.gz CCPJKOXRIMNRTF-ZDCRXTMVSA-N 3 2 270.352 -0.789 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)CC1 ZINC001158605066 815540311 /nfs/dbraw/zinc/54/03/11/815540311.db2.gz UTRUEYMUEMSCSO-CYBMUJFWSA-N 3 2 284.404 -0.896 20 0 CBADLP C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001158626306 815540565 /nfs/dbraw/zinc/54/05/65/815540565.db2.gz JXZWIBYELBFFJB-NWDGAFQWSA-N 3 2 268.405 -0.121 20 0 CBADLP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001158626306 815540568 /nfs/dbraw/zinc/54/05/68/815540568.db2.gz JXZWIBYELBFFJB-NWDGAFQWSA-N 3 2 268.405 -0.121 20 0 CBADLP CN(CCOCC[NH3+])C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001118790358 812629732 /nfs/dbraw/zinc/62/97/32/812629732.db2.gz XBWUMYDCXSQIDK-LLVKDONJSA-N 2 2 266.345 -0.121 20 0 CBADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CCCC(=O)CC1 ZINC001158660966 815542655 /nfs/dbraw/zinc/54/26/55/815542655.db2.gz VNUAVAMKAMURHR-ZMLRMANQSA-N 2 2 251.330 -0.482 20 0 CBADLP [NH3+]CCOCCN1CC[NH+](CCc2cnccn2)CC1 ZINC001118993908 812686427 /nfs/dbraw/zinc/68/64/27/812686427.db2.gz LKJNCMGLUONTIU-UHFFFAOYSA-N 2 2 279.388 -0.388 20 0 CBADLP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001119236781 812727867 /nfs/dbraw/zinc/72/78/67/812727867.db2.gz CQDVQQYAJSWFFB-VYWDXUPNSA-N 2 2 294.399 -0.536 20 0 CBADLP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001119236781 812727871 /nfs/dbraw/zinc/72/78/71/812727871.db2.gz CQDVQQYAJSWFFB-VYWDXUPNSA-N 2 2 294.399 -0.536 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)/C=C\[C@@H]1CCC[NH2+]C1 ZINC001119295315 812744329 /nfs/dbraw/zinc/74/43/29/812744329.db2.gz HGTCFSDYFZBJTM-IBPBTGAJSA-N 2 2 295.383 -0.094 20 0 CBADLP C[C@H](CNC(=O)CCC1C[NH2+]C1)[NH+]1CCN(C)CC1 ZINC001119296650 812746287 /nfs/dbraw/zinc/74/62/87/812746287.db2.gz YZROLNORTIIBCU-GFCCVEGCSA-N 2 2 268.405 -0.262 20 0 CBADLP CCN(C(=O)c1n[nH]c2c1C[NH2+]CC2)[C@H]1CC[NH2+]C1 ZINC001119322601 812753675 /nfs/dbraw/zinc/75/36/75/812753675.db2.gz QFNZJLVYOMKIRA-VIFPVBQESA-N 2 2 263.345 -0.121 20 0 CBADLP Cn1c[nH+]cc1CNC(=O)NC[C@@H]1COCC[NH2+]1 ZINC001119439409 812785842 /nfs/dbraw/zinc/78/58/42/812785842.db2.gz RLSNXOQAISYMDJ-SECBINFHSA-N 2 2 253.306 -0.792 20 0 CBADLP CC[C@@H]1C(=O)NCCC[N@H+]1CC(=O)N1CC[NH2+]CC1 ZINC001120266334 812943549 /nfs/dbraw/zinc/94/35/49/812943549.db2.gz SXDLCZAIHUOXTO-LLVKDONJSA-N 2 2 268.361 -0.981 20 0 CBADLP CC[C@@H]1C(=O)NCCC[N@@H+]1CC(=O)N1CC[NH2+]CC1 ZINC001120266334 812943554 /nfs/dbraw/zinc/94/35/54/812943554.db2.gz SXDLCZAIHUOXTO-LLVKDONJSA-N 2 2 268.361 -0.981 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@@H](O)C[C@]1(O)CCOC1 ZINC001120376877 812955535 /nfs/dbraw/zinc/95/55/35/812955535.db2.gz NMGFBUZOELYRID-FRRDWIJNSA-N 2 2 269.345 -0.236 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C[C@H](O)C1(O)CCOCC1 ZINC001120376028 812955906 /nfs/dbraw/zinc/95/59/06/812955906.db2.gz IALSFFRTGMKJNX-RYUDHWBXSA-N 2 2 269.345 -0.236 20 0 CBADLP O=C1NCCCC[C@@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC001120480133 812972112 /nfs/dbraw/zinc/97/21/12/812972112.db2.gz LIFCQCQLOMQZPK-NEPJUHHUSA-N 2 2 255.362 -0.299 20 0 CBADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)CCCC[NH2+]C ZINC001120547141 812989171 /nfs/dbraw/zinc/98/91/71/812989171.db2.gz UUFQKUXMIZOMPA-LLVKDONJSA-N 2 2 271.361 -0.260 20 0 CBADLP COC(=O)[C@@H]([NH3+])CC(=O)N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001159290171 815567915 /nfs/dbraw/zinc/56/79/15/815567915.db2.gz FAOVXZQPFPMPRE-LBPRGKRZSA-N 2 2 295.383 -0.179 20 0 CBADLP COC(=O)[C@@H]([NH3+])CC(=O)N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001159290171 815567918 /nfs/dbraw/zinc/56/79/18/815567918.db2.gz FAOVXZQPFPMPRE-LBPRGKRZSA-N 2 2 295.383 -0.179 20 0 CBADLP Cc1c(CC[NH3+])c(=O)[nH]n1-c1cc2c(nn1)CC[NH2+]C2 ZINC001159299937 815568284 /nfs/dbraw/zinc/56/82/84/815568284.db2.gz HTEZWFLHQXIASJ-UHFFFAOYSA-N 2 2 274.328 -0.177 20 0 CBADLP C[C@H](CC[NH2+]CC1(O)CCS(=O)(=O)CC1)[NH+](C)C ZINC001120583663 812996135 /nfs/dbraw/zinc/99/61/35/812996135.db2.gz XCEAXNARYUCPAU-LLVKDONJSA-N 2 2 278.418 -0.144 20 0 CBADLP O=C(C[NH+]1CCC(CO)CC1)NCC[NH+]1CCC1 ZINC001120621618 813000608 /nfs/dbraw/zinc/00/06/08/813000608.db2.gz DYZOWFMZJIWHFF-UHFFFAOYSA-N 2 2 255.362 -0.487 20 0 CBADLP [NH3+]C/C=C\CNC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001120631849 813003773 /nfs/dbraw/zinc/00/37/73/813003773.db2.gz UZLSACYHADRRDI-UPHRSURJSA-N 3 2 255.366 -0.776 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001120688234 813011503 /nfs/dbraw/zinc/01/15/03/813011503.db2.gz ZONGJCRUIVVLCT-VXGBXAGGSA-N 2 2 253.346 -0.473 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001120688234 813011512 /nfs/dbraw/zinc/01/15/12/813011512.db2.gz ZONGJCRUIVVLCT-VXGBXAGGSA-N 2 2 253.346 -0.473 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1C[C@H]([NH3+])[C@H]2C[C@H]21 ZINC001121903792 813088651 /nfs/dbraw/zinc/08/86/51/813088651.db2.gz LKWQJINIPQFDCU-LBELIVKGSA-N 2 2 267.373 -0.193 20 0 CBADLP CN(CCCn1cc[nH+]c1)C(=O)[C@]1(C)C[C@@H](O)C[NH2+]1 ZINC001121970568 813098626 /nfs/dbraw/zinc/09/86/26/813098626.db2.gz XXHNJKYIWJIRFF-YPMHNXCESA-N 2 2 266.345 -0.156 20 0 CBADLP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N(C)CCCn1cc[nH+]c1 ZINC001122046385 813108744 /nfs/dbraw/zinc/10/87/44/813108744.db2.gz MKDRPSPWGTUMCY-NEPJUHHUSA-N 2 2 268.361 -0.052 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1COC2(C[NH2+]C2)C1 ZINC001122063915 813111994 /nfs/dbraw/zinc/11/19/94/813111994.db2.gz QLLDOIZPDZLVDD-MWLCHTKSSA-N 2 2 264.329 -0.165 20 0 CBADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1COC2(C[NH2+]C2)C1 ZINC001122063915 813111996 /nfs/dbraw/zinc/11/19/96/813111996.db2.gz QLLDOIZPDZLVDD-MWLCHTKSSA-N 2 2 264.329 -0.165 20 0 CBADLP CC1(C)C[NH2+][C@H]1C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001122156803 813125671 /nfs/dbraw/zinc/12/56/71/813125671.db2.gz CIZFADDDHOFTPQ-NSHDSACASA-N 3 2 254.378 -0.476 20 0 CBADLP [NH3+][C@H](CC(F)F)C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001122157790 813125962 /nfs/dbraw/zinc/12/59/62/813125962.db2.gz VQNUQOJSLFHOLE-SECBINFHSA-N 3 2 264.320 -0.492 20 0 CBADLP [NH3+][C@@H]1CC=C(C(=O)NCC[NH+]2CCC([NH3+])CC2)C1 ZINC001122157901 813126275 /nfs/dbraw/zinc/12/62/75/813126275.db2.gz XUZPPDCMWKBMJQ-GFCCVEGCSA-N 3 2 252.362 -0.427 20 0 CBADLP CCN(C)C(=O)C[NH2+]CCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001159527825 815579742 /nfs/dbraw/zinc/57/97/42/815579742.db2.gz OTMIOHCQEOGYAR-UHFFFAOYSA-N 2 2 295.387 -0.084 20 0 CBADLP CCN(C)C(=O)C[NH2+]CCCNC(=O)CCc1c[nH+]c[nH]1 ZINC001159527825 815579745 /nfs/dbraw/zinc/57/97/45/815579745.db2.gz OTMIOHCQEOGYAR-UHFFFAOYSA-N 2 2 295.387 -0.084 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)NCCC[NH2+]CCn1cncn1 ZINC001159536881 815580048 /nfs/dbraw/zinc/58/00/48/815580048.db2.gz BKWMOXXLDDRIEC-UHFFFAOYSA-N 2 2 291.359 -0.270 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)NCCC[NH2+]CCn1cncn1 ZINC001159536881 815580053 /nfs/dbraw/zinc/58/00/53/815580053.db2.gz BKWMOXXLDDRIEC-UHFFFAOYSA-N 2 2 291.359 -0.270 20 0 CBADLP C[C@@H](NC(=O)[C@H]1C[C@H]([NH3+])C1)[C@H]1CN(C)CC[N@@H+]1C ZINC001122448294 813165305 /nfs/dbraw/zinc/16/53/05/813165305.db2.gz MEZGFYYOSILBMF-DDHJBXDOSA-N 2 2 254.378 -0.526 20 0 CBADLP C[C@@H](NC(=O)[C@H]1C[C@H]([NH3+])C1)[C@H]1CN(C)CC[N@H+]1C ZINC001122448294 813165308 /nfs/dbraw/zinc/16/53/08/813165308.db2.gz MEZGFYYOSILBMF-DDHJBXDOSA-N 2 2 254.378 -0.526 20 0 CBADLP C[C@H](NC(=O)[C@H]1C[C@H]([NH3+])C1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001122448292 813165336 /nfs/dbraw/zinc/16/53/36/813165336.db2.gz MEZGFYYOSILBMF-BJDJZHNGSA-N 2 2 254.378 -0.526 20 0 CBADLP C[C@H](NC(=O)[C@H]1C[C@H]([NH3+])C1)[C@@H]1CN(C)CC[N@H+]1C ZINC001122448292 813165340 /nfs/dbraw/zinc/16/53/40/813165340.db2.gz MEZGFYYOSILBMF-BJDJZHNGSA-N 2 2 254.378 -0.526 20 0 CBADLP O=C(/C=C/C[NH+]1CCOCC1)N[C@@H]1C[NH2+]CC12CC2 ZINC001122498077 813170826 /nfs/dbraw/zinc/17/08/26/813170826.db2.gz JSCPEABALBWSJP-YYRQZUAOSA-N 2 2 265.357 -0.257 20 0 CBADLP CN(C)C(=O)[C@H]1CC12CCN(C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])CC2 ZINC001159862922 815601124 /nfs/dbraw/zinc/60/11/24/815601124.db2.gz HHPGPMRCLFUSCT-TUAOUCFPSA-N 2 2 294.399 -0.750 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1cnsn1 ZINC001124872284 813491038 /nfs/dbraw/zinc/49/10/38/813491038.db2.gz DHKWQUJTCMXVNZ-SNVBAGLBSA-N 2 2 269.374 -0.162 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1cnsn1 ZINC001124872284 813491042 /nfs/dbraw/zinc/49/10/42/813491042.db2.gz DHKWQUJTCMXVNZ-SNVBAGLBSA-N 2 2 269.374 -0.162 20 0 CBADLP Cc1nnc(C[NH2+]CCNC(=O)[C@H]2CCC[N@H+]2C)o1 ZINC001124872216 813491323 /nfs/dbraw/zinc/49/13/23/813491323.db2.gz AFNBULOWTOAZCT-SNVBAGLBSA-N 2 2 267.333 -0.322 20 0 CBADLP Cc1nnc(C[NH2+]CCNC(=O)[C@H]2CCC[N@@H+]2C)o1 ZINC001124872216 813491327 /nfs/dbraw/zinc/49/13/27/813491327.db2.gz AFNBULOWTOAZCT-SNVBAGLBSA-N 2 2 267.333 -0.322 20 0 CBADLP Cc1ncc(C[NH2+]CCNC(=O)[C@H]2C[N@H+](C)CCO2)o1 ZINC001125223139 813534862 /nfs/dbraw/zinc/53/48/62/813534862.db2.gz YFPXULMFBCNINC-GFCCVEGCSA-N 2 2 282.344 -0.481 20 0 CBADLP Cc1ncc(C[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)CCO2)o1 ZINC001125223139 813534868 /nfs/dbraw/zinc/53/48/68/813534868.db2.gz YFPXULMFBCNINC-GFCCVEGCSA-N 2 2 282.344 -0.481 20 0 CBADLP Cc1oncc1C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125222373 813535646 /nfs/dbraw/zinc/53/56/46/813535646.db2.gz VLHNKUYPXDYUDC-GFCCVEGCSA-N 2 2 282.344 -0.481 20 0 CBADLP Cc1oncc1C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125222373 813535650 /nfs/dbraw/zinc/53/56/50/813535650.db2.gz VLHNKUYPXDYUDC-GFCCVEGCSA-N 2 2 282.344 -0.481 20 0 CBADLP Cc1cc(C[NH2+]CCNC(=O)[C@H]2C[N@H+](C)CCO2)ncn1 ZINC001125221643 813536302 /nfs/dbraw/zinc/53/63/02/813536302.db2.gz REPMXEVSZKWSLI-CYBMUJFWSA-N 2 2 293.371 -0.679 20 0 CBADLP Cc1cc(C[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)CCO2)ncn1 ZINC001125221643 813536308 /nfs/dbraw/zinc/53/63/08/813536308.db2.gz REPMXEVSZKWSLI-CYBMUJFWSA-N 2 2 293.371 -0.679 20 0 CBADLP CC(C)NC(=O)C[NH2+]CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001126436447 813647743 /nfs/dbraw/zinc/64/77/43/813647743.db2.gz ABONZMQMMHGDSO-UHFFFAOYSA-N 2 2 281.360 -0.427 20 0 CBADLP Cn1cc(C[NH2+]CCNC(=O)CCc2[nH]cc[nH+]2)cn1 ZINC001126437361 813647802 /nfs/dbraw/zinc/64/78/02/813647802.db2.gz ZWVICGSCFBMFBM-UHFFFAOYSA-N 2 2 276.344 -0.018 20 0 CBADLP CN1CC[C@@H]([NH2+]CCNC(=O)CCc2[nH]cc[nH+]2)C1=O ZINC001126447653 813647945 /nfs/dbraw/zinc/64/79/45/813647945.db2.gz JIAVGIFCCWIXFJ-SNVBAGLBSA-N 2 2 279.344 -0.721 20 0 CBADLP C[C@@H]([NH2+]CCNC(=O)CCc1[nH]cc[nH+]1)C(=O)NC1CC1 ZINC001126448870 813650007 /nfs/dbraw/zinc/65/00/07/813650007.db2.gz ZVZOTAWDTZNZAH-SNVBAGLBSA-N 2 2 293.371 -0.285 20 0 CBADLP Cc1c[nH+]c2cc(C(=O)NCC[NH2+]CC(N)=O)ccn12 ZINC001127293822 813722404 /nfs/dbraw/zinc/72/24/04/813722404.db2.gz ZZUBURSNDSMWMS-UHFFFAOYSA-N 2 2 275.312 -0.553 20 0 CBADLP Cc1noc(C[NH2+]CCNC(=O)[C@H]2C[NH+]3CCC2CC3)n1 ZINC001127475148 813731666 /nfs/dbraw/zinc/73/16/66/813731666.db2.gz ROWFFMIAMWGQPM-LBPRGKRZSA-N 2 2 293.371 -0.074 20 0 CBADLP Cc1noc(C[NH2+]CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001127685307 813741472 /nfs/dbraw/zinc/74/14/72/813741472.db2.gz MLFDRUZILFYGNT-MWLCHTKSSA-N 2 2 281.360 -0.076 20 0 CBADLP Cc1noc(C[NH2+]CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001127685307 813741475 /nfs/dbraw/zinc/74/14/75/813741475.db2.gz MLFDRUZILFYGNT-MWLCHTKSSA-N 2 2 281.360 -0.076 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)NCC[NH2+]CCNC(=O)C1CC1 ZINC001128967287 813811465 /nfs/dbraw/zinc/81/14/65/813811465.db2.gz JOGXDVGTKYQGHV-UHFFFAOYSA-N 2 2 293.371 -0.426 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)NCC[NH2+]CCNC(=O)C1CC1 ZINC001128967287 813811470 /nfs/dbraw/zinc/81/14/70/813811470.db2.gz JOGXDVGTKYQGHV-UHFFFAOYSA-N 2 2 293.371 -0.426 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001128967208 813811939 /nfs/dbraw/zinc/81/19/39/813811939.db2.gz GODYWSVZUHAUPL-VIFPVBQESA-N 2 2 267.333 -0.817 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]CCNC(=O)CCc1c[nH+]c[nH]1 ZINC001128967208 813811948 /nfs/dbraw/zinc/81/19/48/813811948.db2.gz GODYWSVZUHAUPL-VIFPVBQESA-N 2 2 267.333 -0.817 20 0 CBADLP CN1CCC[C@H]([NH2+]CCNC(=O)CCc2c[nH]c[nH+]2)C1=O ZINC001128967736 813812267 /nfs/dbraw/zinc/81/22/67/813812267.db2.gz ZJERARPNYNVTOH-LBPRGKRZSA-N 2 2 293.371 -0.331 20 0 CBADLP CN1CCC[C@H]([NH2+]CCNC(=O)CCc2c[nH+]c[nH]2)C1=O ZINC001128967736 813812273 /nfs/dbraw/zinc/81/22/73/813812273.db2.gz ZJERARPNYNVTOH-LBPRGKRZSA-N 2 2 293.371 -0.331 20 0 CBADLP CC[C@H](C)NC(=O)C[NH2+]CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001128991874 813813041 /nfs/dbraw/zinc/81/30/41/813813041.db2.gz GCGRXHLOXUOERA-NSHDSACASA-N 2 2 295.387 -0.037 20 0 CBADLP Cn1nccc1C[NH2+]CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001128986160 813813818 /nfs/dbraw/zinc/81/38/18/813813818.db2.gz JKLVTINXQRVRGR-UHFFFAOYSA-N 2 2 276.344 -0.018 20 0 CBADLP Cc1nnc(C[NH2+]CCNC(=O)[C@H](C2CC2)[NH+](C)C)o1 ZINC001129435115 813842175 /nfs/dbraw/zinc/84/21/75/813842175.db2.gz AZTMJDAVFVLKIX-LBPRGKRZSA-N 2 2 281.360 -0.076 20 0 CBADLP O=C(NCC[NH2+]CCCO)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001129893159 813876734 /nfs/dbraw/zinc/87/67/34/813876734.db2.gz IXEIHKMTWZISDW-NXEZZACHSA-N 2 2 252.318 -0.399 20 0 CBADLP O=C(NCC[NH2+]CCCO)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001129893159 813876745 /nfs/dbraw/zinc/87/67/45/813876745.db2.gz IXEIHKMTWZISDW-NXEZZACHSA-N 2 2 252.318 -0.399 20 0 CBADLP CNC(=O)C[NH2+]CCNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001130001155 813895717 /nfs/dbraw/zinc/89/57/17/813895717.db2.gz DZEJCTDCRHBHJK-GFCCVEGCSA-N 2 2 295.387 -0.078 20 0 CBADLP CNC(=O)C[NH2+]CCNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001130001156 813896110 /nfs/dbraw/zinc/89/61/10/813896110.db2.gz DZEJCTDCRHBHJK-LBPRGKRZSA-N 2 2 295.387 -0.078 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2cnns2)O1 ZINC001130182542 813912810 /nfs/dbraw/zinc/91/28/10/813912810.db2.gz MQJYUPNYJDSRJU-MWLCHTKSSA-N 2 2 299.400 -0.537 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2cnns2)O1 ZINC001130182542 813912821 /nfs/dbraw/zinc/91/28/21/813912821.db2.gz MQJYUPNYJDSRJU-MWLCHTKSSA-N 2 2 299.400 -0.537 20 0 CBADLP Cc1cn(C(C)(C)C(=O)NCC[NH2+][C@H](C)C(N)=O)c[nH+]1 ZINC001130164653 813913453 /nfs/dbraw/zinc/91/34/53/813913453.db2.gz DXGPTENLRVFPMB-SNVBAGLBSA-N 2 2 281.360 -0.494 20 0 CBADLP COC[C@@H](O)C[NH2+]CCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001130164777 813914054 /nfs/dbraw/zinc/91/40/54/813914054.db2.gz FTAVNZHENBSZPO-LBPRGKRZSA-N 2 2 298.387 -0.360 20 0 CBADLP CC[C@H](C(=O)NCC[NH2+]Cc1nnnn1C(C)C)[NH+](C)C ZINC001130197592 813916047 /nfs/dbraw/zinc/91/60/47/813916047.db2.gz LKAJZSOWMAFJHT-LLVKDONJSA-N 2 2 297.407 -0.200 20 0 CBADLP CC[C@H](C(=O)NCC[NH2+]Cc1nnnn1C1CC1)[NH+](C)C ZINC001130197685 813917069 /nfs/dbraw/zinc/91/70/69/813917069.db2.gz MDPRXMPKLWLZDO-LLVKDONJSA-N 2 2 295.391 -0.446 20 0 CBADLP O=C(NCC[NH2+][C@H]1CCNC1=O)c1cc2c[nH+]ccc2[nH]1 ZINC001130266265 813922706 /nfs/dbraw/zinc/92/27/06/813922706.db2.gz RDKXWTQDXZSHLP-NSHDSACASA-N 2 2 287.323 -0.229 20 0 CBADLP COC[C@H](O)C[NH2+]CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001130404398 813936434 /nfs/dbraw/zinc/93/64/34/813936434.db2.gz JKPPZJBIIYRKLC-DGCLKSJQSA-N 2 2 296.371 -0.841 20 0 CBADLP CC[C@@H]([NH2+]CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1)C(N)=O ZINC001130404983 813937117 /nfs/dbraw/zinc/93/71/17/813937117.db2.gz UJHNFRJJBUPUGA-ZYHUDNBSSA-N 2 2 293.371 -0.585 20 0 CBADLP C[C@@H]([NH2+]CCNC(=O)[C@H]1CCn2c[nH+]cc2C1)C(N)=O ZINC001130404376 813937353 /nfs/dbraw/zinc/93/73/53/813937353.db2.gz ISJGIAYLPKGLOT-ZJUUUORDSA-N 2 2 279.344 -0.975 20 0 CBADLP COC[C@H](O)C[NH2+]CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001130481621 813943729 /nfs/dbraw/zinc/94/37/29/813943729.db2.gz XQPYGQDZHXDZLF-VXGBXAGGSA-N 2 2 296.371 -0.841 20 0 CBADLP C[C@H](O)C[NH2+]CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001130483936 813943787 /nfs/dbraw/zinc/94/37/87/813943787.db2.gz AJPWDFFWVUMMIC-WDEREUQCSA-N 2 2 266.345 -0.468 20 0 CBADLP C[C@H]([NH2+]CCNC(=O)[C@H]1CCn2cc[nH+]c2C1)C(N)=O ZINC001130481325 813943837 /nfs/dbraw/zinc/94/38/37/813943837.db2.gz PRZDRXVOMVNJIA-UWVGGRQHSA-N 2 2 279.344 -0.975 20 0 CBADLP COC[C@H](O)C[NH2+]CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001130481619 813944027 /nfs/dbraw/zinc/94/40/27/813944027.db2.gz XQPYGQDZHXDZLF-NWDGAFQWSA-N 2 2 296.371 -0.841 20 0 CBADLP CC[C@H]([NH2+]CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)C(N)=O ZINC001130488333 813946122 /nfs/dbraw/zinc/94/61/22/813946122.db2.gz PGXLNPPOPCOMMR-PWSUYJOCSA-N 2 2 293.371 -0.585 20 0 CBADLP CN(C)C(=O)C[NH2+]CCNC(=O)c1cccc2[nH+]ccn21 ZINC001131270739 814015140 /nfs/dbraw/zinc/01/51/40/814015140.db2.gz RTEFKKNHDREOEG-UHFFFAOYSA-N 2 2 289.339 -0.258 20 0 CBADLP O=C(NCC[NH2+]CCOCCO)c1cccc2[nH+]ccn21 ZINC001131270377 814015915 /nfs/dbraw/zinc/01/59/15/814015915.db2.gz JDZDDSDKHZKBPR-UHFFFAOYSA-N 2 2 292.339 -0.337 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NCC[NH2+]Cc1nnc(C)[nH]1 ZINC001131380429 814026288 /nfs/dbraw/zinc/02/62/88/814026288.db2.gz LKZSJCNIIRONDG-UHFFFAOYSA-N 2 2 277.332 -0.476 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NCC[NH2+]Cc1cn(C)nn1 ZINC001131380515 814027047 /nfs/dbraw/zinc/02/70/47/814027047.db2.gz OYIAIHQVTDQVPW-UHFFFAOYSA-N 2 2 277.332 -0.774 20 0 CBADLP CC[NH+](CC)CC(=O)N1CCC(=O)NCC[N@@H+](CC)CC1 ZINC001131388475 814027317 /nfs/dbraw/zinc/02/73/17/814027317.db2.gz OMWPASRFNZHPFC-UHFFFAOYSA-N 2 2 298.431 -0.001 20 0 CBADLP CC[NH+](CC)CC(=O)N1CCC(=O)NCC[N@H+](CC)CC1 ZINC001131388475 814027322 /nfs/dbraw/zinc/02/73/22/814027322.db2.gz OMWPASRFNZHPFC-UHFFFAOYSA-N 2 2 298.431 -0.001 20 0 CBADLP COC[C@@H](O)C[NH2+]CCNC(=O)CCc1[nH+]ccn1C ZINC001131642151 814049165 /nfs/dbraw/zinc/04/91/65/814049165.db2.gz ZONWQZQWZDSEII-NSHDSACASA-N 2 2 284.360 -0.934 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)NCC[NH2+]CCn1cncn1 ZINC001131656687 814051487 /nfs/dbraw/zinc/05/14/87/814051487.db2.gz UXZGRESWKXJEBP-UHFFFAOYSA-N 2 2 291.359 -0.650 20 0 CBADLP Cn1cncc1C[NH2+]CCNC(=O)CCn1cc[nH+]c1 ZINC001132079558 814099504 /nfs/dbraw/zinc/09/95/04/814099504.db2.gz AQNSDIFVSINXJL-UHFFFAOYSA-N 2 2 276.344 -0.087 20 0 CBADLP C[C@@H]([NH2+]CCNC(=O)CCn1cc[nH+]c1)C(=O)N(C)C ZINC001132082230 814099721 /nfs/dbraw/zinc/09/97/21/814099721.db2.gz JXHVUSOTGRMNIW-LLVKDONJSA-N 2 2 281.360 -0.544 20 0 CBADLP Cn1nncc1C[NH2+]CCNC(=O)CCn1cc[nH+]c1 ZINC001132079871 814100332 /nfs/dbraw/zinc/10/03/32/814100332.db2.gz QKDQNZRNXHMVRH-UHFFFAOYSA-N 2 2 277.332 -0.692 20 0 CBADLP C[C@@H]([NH2+]CCNC(=O)CCn1cc[nH+]c1)C(=O)NC1CC1 ZINC001132084667 814103394 /nfs/dbraw/zinc/10/33/94/814103394.db2.gz GIWZCESXLCIIGU-LLVKDONJSA-N 2 2 293.371 -0.354 20 0 CBADLP CC[NH+](CC)CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC(N)=O)C1 ZINC001132375520 814141297 /nfs/dbraw/zinc/14/12/97/814141297.db2.gz DRQOXDLARQMSMK-VXGBXAGGSA-N 2 2 284.404 -0.217 20 0 CBADLP CC[NH+](CC)CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC(N)=O)C1 ZINC001132375520 814141305 /nfs/dbraw/zinc/14/13/05/814141305.db2.gz DRQOXDLARQMSMK-VXGBXAGGSA-N 2 2 284.404 -0.217 20 0 CBADLP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@@H](C)[NH+](CC(N)=O)C1 ZINC001132441903 814150713 /nfs/dbraw/zinc/15/07/13/814150713.db2.gz VCGXBSJJRZSRRC-NEPJUHHUSA-N 2 2 284.404 -0.217 20 0 CBADLP CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@@H](C)[NH+](CC(N)=O)C1 ZINC001132441903 814150718 /nfs/dbraw/zinc/15/07/18/814150718.db2.gz VCGXBSJJRZSRRC-NEPJUHHUSA-N 2 2 284.404 -0.217 20 0 CBADLP CCC[NH+](C)CC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC(N)=O)C1 ZINC001132441903 814150723 /nfs/dbraw/zinc/15/07/23/814150723.db2.gz VCGXBSJJRZSRRC-NEPJUHHUSA-N 2 2 284.404 -0.217 20 0 CBADLP CCC[NH+](C)CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC(N)=O)C1 ZINC001132441903 814150726 /nfs/dbraw/zinc/15/07/26/814150726.db2.gz VCGXBSJJRZSRRC-NEPJUHHUSA-N 2 2 284.404 -0.217 20 0 CBADLP C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C[NH2+]CC(N)=O ZINC001133194460 814225845 /nfs/dbraw/zinc/22/58/45/814225845.db2.gz GAMCDNOVTDNCEO-WDEREUQCSA-N 2 2 293.371 -0.488 20 0 CBADLP Cc1noc(C[NH2+]CCNC(=O)C2CC[NH+](C)CC2)n1 ZINC001133286075 814236648 /nfs/dbraw/zinc/23/66/48/814236648.db2.gz VYWHCOVRDZVXKH-UHFFFAOYSA-N 2 2 281.360 -0.074 20 0 CBADLP Cc1cnc(C[NH2+]CCNC(=O)CC[NH+](C)C)nc1 ZINC001133297953 814240292 /nfs/dbraw/zinc/24/02/92/814240292.db2.gz UKPZZEAFFAGFJL-UHFFFAOYSA-N 2 2 265.361 -0.057 20 0 CBADLP O=C(NCC[NH2+]CCCO)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001133663915 814283836 /nfs/dbraw/zinc/28/38/36/814283836.db2.gz JNLKDRCUEAQTSP-SNVBAGLBSA-N 2 2 266.345 -0.082 20 0 CBADLP O=C(NCC[NH2+]CCOCCO)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001133663661 814284129 /nfs/dbraw/zinc/28/41/29/814284129.db2.gz FTWITNWQCLYHLV-LLVKDONJSA-N 2 2 296.371 -0.456 20 0 CBADLP Cc1nnc(C[NH2+]CCNC(=O)C[N@H+]2CC[C@H](C)C2)[nH]1 ZINC001133845526 814307629 /nfs/dbraw/zinc/30/76/29/814307629.db2.gz IAUYINZVOPKZOS-JTQLQIEISA-N 2 2 280.376 -0.339 20 0 CBADLP Cc1nnc(C[NH2+]CCNC(=O)C[N@@H+]2CC[C@H](C)C2)[nH]1 ZINC001133845526 814307634 /nfs/dbraw/zinc/30/76/34/814307634.db2.gz IAUYINZVOPKZOS-JTQLQIEISA-N 2 2 280.376 -0.339 20 0 CBADLP C[C@@H](C[C@H](C)[NH2+]CC(N)=O)NC(=O)CCc1[nH]cc[nH+]1 ZINC001134227406 814365377 /nfs/dbraw/zinc/36/53/77/814365377.db2.gz GPRWZMHXFAMKCL-UWVGGRQHSA-N 2 2 281.360 -0.300 20 0 CBADLP CC[C@H](C)NC(=O)[C@@H](C)[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001134400680 814379156 /nfs/dbraw/zinc/37/91/56/814379156.db2.gz MXCZAXPWUDKNKT-WDEREUQCSA-N 2 2 295.387 -0.039 20 0 CBADLP CCCNC(=O)C[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001134397858 814379203 /nfs/dbraw/zinc/37/92/03/814379203.db2.gz WJNMOJDXNBHTHV-UHFFFAOYSA-N 2 2 267.333 -0.816 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NCC[NH2+]C[C@@H]1CCc2ncnn21 ZINC001134397421 814379509 /nfs/dbraw/zinc/37/95/09/814379509.db2.gz MZIBKDHHSVOFBO-NSHDSACASA-N 2 2 289.343 -0.563 20 0 CBADLP CCC(CC)NC(=O)C[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001134399949 814380824 /nfs/dbraw/zinc/38/08/24/814380824.db2.gz HOBZOFIKLRIPEP-UHFFFAOYSA-N 2 2 295.387 -0.037 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NCC[NH2+]CCOC[C@H]1CCCO1 ZINC001134397913 814381174 /nfs/dbraw/zinc/38/11/74/814381174.db2.gz YPTBCMFSKFDFCB-CYBMUJFWSA-N 2 2 296.371 -0.146 20 0 CBADLP CS(=O)(=O)CCC[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001134397692 814381668 /nfs/dbraw/zinc/38/16/68/814381668.db2.gz SWUDCIGWGYICAK-UHFFFAOYSA-N 2 2 288.373 -0.907 20 0 CBADLP C[C@@H](CC(=O)NCC[NH2+][C@H]1CCNC1=O)n1cc[nH+]c1 ZINC001134498603 814387651 /nfs/dbraw/zinc/38/76/51/814387651.db2.gz LGYZEEDSZQFIDC-QWRGUYRKSA-N 2 2 279.344 -0.572 20 0 CBADLP C[C@@H](CC(=O)NCC[NH2+]CCOCCO)n1cc[nH+]c1 ZINC001134498520 814388426 /nfs/dbraw/zinc/38/84/26/814388426.db2.gz IRAXKZVRJKSJLS-LBPRGKRZSA-N 2 2 284.360 -0.451 20 0 CBADLP C[C@H](CC(=O)NCC[NH2+]CC(N)=O)n1cc[nH+]c1 ZINC001134498807 814388445 /nfs/dbraw/zinc/38/84/45/814388445.db2.gz PFHBYROGKWDANT-SECBINFHSA-N 2 2 253.306 -0.975 20 0 CBADLP C[C@H](CC(=O)NCC[NH2+]CCn1cncn1)n1cc[nH+]c1 ZINC001134517265 814391798 /nfs/dbraw/zinc/39/17/98/814391798.db2.gz AZNMJVYVNSHXHY-GFCCVEGCSA-N 2 2 291.359 -0.168 20 0 CBADLP C[C@@H](CC(=O)NCC[NH2+][C@H]1CCN(C)C1=O)n1cc[nH+]c1 ZINC001134517815 814393078 /nfs/dbraw/zinc/39/30/78/814393078.db2.gz SWMZIMCUVFGWKA-RYUDHWBXSA-N 2 2 293.371 -0.229 20 0 CBADLP CNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001134544883 814396566 /nfs/dbraw/zinc/39/65/66/814396566.db2.gz JSDPGHHASLQFQC-GHMZBOCLSA-N 2 2 295.387 -0.039 20 0 CBADLP CNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001134544883 814396575 /nfs/dbraw/zinc/39/65/75/814396575.db2.gz JSDPGHHASLQFQC-GHMZBOCLSA-N 2 2 295.387 -0.039 20 0 CBADLP C[C@H](C[C@H](C)NC(=O)CCc1[nH+]ccn1C)[NH2+]CC(N)=O ZINC001135057379 814432805 /nfs/dbraw/zinc/43/28/05/814432805.db2.gz UGXLWLKCBYMRRW-MNOVXSKESA-N 2 2 295.387 -0.289 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+]CC(=O)NC1CC1 ZINC001135080220 814434566 /nfs/dbraw/zinc/43/45/66/814434566.db2.gz NBTYAHUWWXIZTB-SNVBAGLBSA-N 2 2 293.371 -0.427 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+][C@H]1CCCNC1=O ZINC001135080063 814435859 /nfs/dbraw/zinc/43/58/59/814435859.db2.gz KGXPJYRFLWUDTO-PWSUYJOCSA-N 2 2 293.371 -0.427 20 0 CBADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[NH2+][C@H]1CCCNC1=O ZINC001135080063 814435867 /nfs/dbraw/zinc/43/58/67/814435867.db2.gz KGXPJYRFLWUDTO-PWSUYJOCSA-N 2 2 293.371 -0.427 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+]CCOCCO ZINC001135079793 814436125 /nfs/dbraw/zinc/43/61/25/814436125.db2.gz DEFQVAMGUSCGJT-LLVKDONJSA-N 2 2 284.360 -0.697 20 0 CBADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[NH2+]CCOCCO ZINC001135079793 814436129 /nfs/dbraw/zinc/43/61/29/814436129.db2.gz DEFQVAMGUSCGJT-LLVKDONJSA-N 2 2 284.360 -0.697 20 0 CBADLP C[C@@H](O)C[NH2+]CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001135080091 814436165 /nfs/dbraw/zinc/43/61/65/814436165.db2.gz KUJIWFOXOBPIDZ-VHSXEESVSA-N 2 2 254.334 -0.325 20 0 CBADLP C[C@@H](O)C[NH2+]CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001135080091 814436170 /nfs/dbraw/zinc/43/61/70/814436170.db2.gz KUJIWFOXOBPIDZ-VHSXEESVSA-N 2 2 254.334 -0.325 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001135080605 814437602 /nfs/dbraw/zinc/43/76/02/814437602.db2.gz XZQIGEGNXRBCBE-ZJUUUORDSA-N 2 2 281.360 -0.571 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001135080605 814437606 /nfs/dbraw/zinc/43/76/06/814437606.db2.gz XZQIGEGNXRBCBE-ZJUUUORDSA-N 2 2 281.360 -0.571 20 0 CBADLP CC[NH+](CC)CC(=O)NCC[NH2+]Cc1nc(N(C)C)no1 ZINC001135508707 814479779 /nfs/dbraw/zinc/47/97/79/814479779.db2.gz WWCTVSIBYUAJDD-UHFFFAOYSA-N 2 2 298.391 -0.317 20 0 CBADLP C[C@@H](C[C@H](C)[NH2+]CCO)NC(=O)Cc1c[nH]c[nH+]1 ZINC001135558127 814490267 /nfs/dbraw/zinc/49/02/67/814490267.db2.gz YWTONDKLEYWRJD-UWVGGRQHSA-N 2 2 254.334 -0.183 20 0 CBADLP C[C@H](C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1)[NH2+]CC(=O)N(C)C ZINC001135552240 814490786 /nfs/dbraw/zinc/49/07/86/814490786.db2.gz CKGHGUHSBQZSKL-MNOVXSKESA-N 2 2 295.387 -0.087 20 0 CBADLP C[C@H](C[C@@H](C)[NH2+]CC(N)=O)NC(=O)Cc1c[nH]c[nH+]1 ZINC001135580032 814495492 /nfs/dbraw/zinc/49/54/92/814495492.db2.gz LRFGEUCKDWWWFD-RKDXNWHRSA-N 2 2 267.333 -0.690 20 0 CBADLP CC(C)CNC(=O)C[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001135757930 814519174 /nfs/dbraw/zinc/51/91/74/814519174.db2.gz UQWCALFVEDFOGM-UHFFFAOYSA-N 2 2 281.360 -0.570 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NCC[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001135758118 814519530 /nfs/dbraw/zinc/51/95/30/814519530.db2.gz YVYGXPSXPOMDDZ-NSHDSACASA-N 2 2 293.371 -0.426 20 0 CBADLP CCCC[C@H]([NH2+]CCNC(=O)Cc1[nH]cc[nH+]1)C(N)=O ZINC001135757699 814519632 /nfs/dbraw/zinc/51/96/32/814519632.db2.gz MHBPFQLJIPOVBC-JTQLQIEISA-N 2 2 281.360 -0.298 20 0 CBADLP Cn1nccc1C[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001135759669 814521205 /nfs/dbraw/zinc/52/12/05/814521205.db2.gz AFEXKKGROWWPHO-UHFFFAOYSA-N 2 2 262.317 -0.408 20 0 CBADLP CCC[C@H](C)NC(=O)C[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001135759752 814521731 /nfs/dbraw/zinc/52/17/31/814521731.db2.gz DTPVNYKQTCUZTC-NSHDSACASA-N 2 2 295.387 -0.037 20 0 CBADLP O=C(N1C[C@@H]2C[C@H]1C[C@H]2F)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160426103 815619312 /nfs/dbraw/zinc/61/93/12/815619312.db2.gz BQHPUSDYBVWLLO-UGCHFJIKSA-N 2 2 253.321 -0.103 20 0 CBADLP C[N@H+](CCN1CC[NH+](C)CC1)CC1C(=O)N=CNC1=O ZINC001140471909 814638432 /nfs/dbraw/zinc/63/84/32/814638432.db2.gz GCMFOTKWVAUSPH-UHFFFAOYSA-N 2 2 281.360 -0.433 20 0 CBADLP COC[C@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)C2 ZINC001159625712 815581916 /nfs/dbraw/zinc/58/19/16/815581916.db2.gz ZMFSAOIVSUQSDD-QVHKTLOISA-N 2 2 297.399 -0.280 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NCC[NH+]1CC2(COC2)C1 ZINC001142590067 814720464 /nfs/dbraw/zinc/72/04/64/814720464.db2.gz DAXDBFLJNYWOJJ-UHFFFAOYSA-N 2 2 255.362 -0.225 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NCC[NH+]1CC2(COC2)C1 ZINC001142590067 814720468 /nfs/dbraw/zinc/72/04/68/814720468.db2.gz DAXDBFLJNYWOJJ-UHFFFAOYSA-N 2 2 255.362 -0.225 20 0 CBADLP CN(CC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)C(N)=[NH2+] ZINC001144132383 814773337 /nfs/dbraw/zinc/77/33/37/814773337.db2.gz PEQJQSKTOVZDOA-SECBINFHSA-N 2 2 264.333 -0.059 20 0 CBADLP Cc1[nH+]c[nH]c1CSCCNC(=O)CN(C)C(N)=[NH2+] ZINC001144143861 814773736 /nfs/dbraw/zinc/77/37/36/814773736.db2.gz SNUJMFJGMGIZJQ-UHFFFAOYSA-N 2 2 284.389 -0.107 20 0 CBADLP COc1cccc(C[C@@H]([NH3+])C(=O)NC2C[NH+](C)C2)c1 ZINC001144942711 814778982 /nfs/dbraw/zinc/77/89/82/814778982.db2.gz LSGCHAZLZNIZBX-CYBMUJFWSA-N 2 2 263.341 -0.005 20 0 CBADLP CNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001146772105 814846870 /nfs/dbraw/zinc/84/68/70/814846870.db2.gz QFBQLMFHBVXDCX-MNOVXSKESA-N 2 2 281.360 -0.498 20 0 CBADLP Cc1nnc(C[NH2+]CCNC(=O)COCC[NH+](C)C)o1 ZINC001147841776 814919821 /nfs/dbraw/zinc/91/98/21/814919821.db2.gz HLXIXIUIMCQYAN-UHFFFAOYSA-N 2 2 285.348 -0.838 20 0 CBADLP Cc1cnc(C[NH2+]CCNC(=O)COCC[NH+](C)C)nc1 ZINC001147848518 814920696 /nfs/dbraw/zinc/92/06/96/814920696.db2.gz OHTDDEMAOHWSHI-UHFFFAOYSA-N 2 2 295.387 -0.431 20 0 CBADLP COCCOCC[NH2+]CCNC(=O)Cc1c[nH+]cn1C ZINC001147871754 814920791 /nfs/dbraw/zinc/92/07/91/814920791.db2.gz KUAIHAKPBYIOED-UHFFFAOYSA-N 2 2 284.360 -0.669 20 0 CBADLP CCn1nncc1C[NH2+]CCNC(=O)Cc1c[nH+]cn1C ZINC001147872017 814920844 /nfs/dbraw/zinc/92/08/44/814920844.db2.gz XFVWPFKAKMHSPG-UHFFFAOYSA-N 2 2 291.359 -0.520 20 0 CBADLP Cc1noc([C@@H](C)[NH2+]CCNC(=O)COCC[NH+](C)C)n1 ZINC001147892071 814923994 /nfs/dbraw/zinc/92/39/94/814923994.db2.gz HONSRCLQVJVFLW-SNVBAGLBSA-N 2 2 299.375 -0.277 20 0 CBADLP CC[C@]([NH3+])(CO)Nc1cc(N2CCOCC2)[nH+]cn1 ZINC001159739741 815590295 /nfs/dbraw/zinc/59/02/95/815590295.db2.gz MUYSRTBOERJLCP-GFCCVEGCSA-N 2 2 267.333 -0.218 20 0 CBADLP N[C@@H](C[NH3+])C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC001160461623 815624722 /nfs/dbraw/zinc/62/47/22/815624722.db2.gz UPBVIGNMULNUJT-AWEZNQCLSA-N 2 2 292.383 -0.504 20 0 CBADLP C[NH2+]CC1CCN(C(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)CC1 ZINC001160456306 815624940 /nfs/dbraw/zinc/62/49/40/815624940.db2.gz GRDRRKSIWSKPEC-ZDUSSCGKSA-N 3 2 279.388 -0.252 20 0 CBADLP O=C(N1CCn2cccc2C1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160477017 815628097 /nfs/dbraw/zinc/62/80/97/815628097.db2.gz RDZLXTFTSMVDEO-SMDDNHRTSA-N 2 2 260.341 -0.218 20 0 CBADLP CC1(C)C(=O)NCCN1C(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001160478330 815628575 /nfs/dbraw/zinc/62/85/75/815628575.db2.gz QVUZHEDXEDVPDF-LBPRGKRZSA-N 2 2 290.367 -0.004 20 0 CBADLP CN(CC1(C)COC1)C(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001160545449 815635454 /nfs/dbraw/zinc/63/54/54/815635454.db2.gz SCYMBLJLIRZTCL-SNVBAGLBSA-N 2 2 252.318 -0.226 20 0 CBADLP CN(CC1(C)COC1)C(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160546310 815635676 /nfs/dbraw/zinc/63/56/76/815635676.db2.gz XYRSLCRTEVQGBA-MFKMUULPSA-N 2 2 253.346 -0.567 20 0 CBADLP Cc1nc([C@H]2CCCCN2C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])no1 ZINC001160548659 815635814 /nfs/dbraw/zinc/63/58/14/815635814.db2.gz HLURLZXIMZQCBT-GARJFASQSA-N 2 2 279.344 -0.022 20 0 CBADLP Cn1ncc2c1CN(C(=O)[C@@]13C[NH2+]C[C@@H]1CC[NH2+]3)C2 ZINC001160565188 815638597 /nfs/dbraw/zinc/63/85/97/815638597.db2.gz NXGSEHVQWNJNAR-GXFFZTMASA-N 2 2 261.329 -0.786 20 0 CBADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC2(CCC(=O)O2)CC1 ZINC001160575507 815639966 /nfs/dbraw/zinc/63/99/66/815639966.db2.gz AXFXOLJFMOGDEN-LLVKDONJSA-N 2 2 292.339 -0.022 20 0 CBADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H](CCO)C1 ZINC001160611846 815645686 /nfs/dbraw/zinc/64/56/86/815645686.db2.gz XHCONJPAJCYSLE-JQWIXIFHSA-N 2 2 266.345 -0.100 20 0 CBADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CCC[C@H](n2cncn2)C1 ZINC001160638456 815647746 /nfs/dbraw/zinc/64/77/46/815647746.db2.gz SXKKHQUVFSTSNQ-ZDEQEGDKSA-N 2 2 290.371 -0.609 20 0 CBADLP C[NH+](C)C1(C)CN(C(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)C1 ZINC001160644508 815650289 /nfs/dbraw/zinc/65/02/89/815650289.db2.gz FETBGTNDRLYDFL-GWCFXTLKSA-N 3 2 252.362 -0.900 20 0 CBADLP C[C@H]1CC(=O)CCN1C(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160642520 815650495 /nfs/dbraw/zinc/65/04/95/815650495.db2.gz KOGVHQUHJHRAHI-CWSCBRNRSA-N 2 2 251.330 -0.482 20 0 CBADLP C[C@@H]1C[C@H](O)CCN1C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001160655446 815653399 /nfs/dbraw/zinc/65/33/99/815653399.db2.gz MCRPTCFAJVFIFF-JLLWLGSASA-N 2 2 266.345 -0.338 20 0 CBADLP COC(CN(C)C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)OC ZINC001160682179 815655405 /nfs/dbraw/zinc/65/54/05/815655405.db2.gz GHKTULPWRLYDNF-LPEHRKFASA-N 2 2 257.334 -0.986 20 0 CBADLP CN(CCC1OCCO1)C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001160682107 815655651 /nfs/dbraw/zinc/65/56/51/815655651.db2.gz DCNPHVGZJPJMAD-NSHDSACASA-N 2 2 282.344 -0.489 20 0 CBADLP CC(C)[C@H]1COCCN1C(=O)C1([NH3+])CC[NH2+]CC1 ZINC001160669564 815655637 /nfs/dbraw/zinc/65/56/37/815655637.db2.gz JAOPZGJVSICPEV-LLVKDONJSA-N 2 2 255.362 -0.049 20 0 CBADLP COC(CN(C)C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2)OC ZINC001160682094 815655760 /nfs/dbraw/zinc/65/57/60/815655760.db2.gz CTTNPBGFMHYZHU-LNLATYFQSA-N 2 2 257.334 -0.715 20 0 CBADLP CN(CCC1OCCO1)C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001160682099 815655909 /nfs/dbraw/zinc/65/59/09/815655909.db2.gz CWTYRZIWJWZVFZ-BREBYQMCSA-N 2 2 269.345 -0.570 20 0 CBADLP CN(CCC1OCCO1)C(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160683935 815657096 /nfs/dbraw/zinc/65/70/96/815657096.db2.gz OUUIYCBSOBUGTO-MFKMUULPSA-N 2 2 269.345 -0.841 20 0 CBADLP CN(Cc1ccon1)C(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160689463 815657813 /nfs/dbraw/zinc/65/78/13/815657813.db2.gz XDALWHPWEZPNLV-CABZTGNLSA-N 2 2 250.302 -0.416 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCC[C@@H](c3ncc[nH]3)C2)C1 ZINC001160693110 815658801 /nfs/dbraw/zinc/65/88/01/815658801.db2.gz JHDKVAVXPIDNQC-MXWKQRLJSA-N 2 2 263.345 -0.195 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCC[C@H](c3ncc[nH]3)C2)C1 ZINC001160693109 815658884 /nfs/dbraw/zinc/65/88/84/815658884.db2.gz JHDKVAVXPIDNQC-AXFHLTTASA-N 2 2 263.345 -0.195 20 0 CBADLP O=C([C@@H]1C[NH2+]C[C@H]1O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001160692826 815659400 /nfs/dbraw/zinc/65/94/00/815659400.db2.gz FDSWXGHKJSDKKH-HBNTYKKESA-N 2 2 264.329 -0.304 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CCO[C@H](C(F)(F)F)C1 ZINC001160705795 815662072 /nfs/dbraw/zinc/66/20/72/815662072.db2.gz RXQGJWGWJNDPKW-FXQIFTODSA-N 2 2 267.251 -0.677 20 0 CBADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CCC(n2cnnc2)CC1 ZINC001160718339 815663701 /nfs/dbraw/zinc/66/37/01/815663701.db2.gz FVGKFLMICLFWPA-WCFLWFBJSA-N 2 2 290.371 -0.609 20 0 CBADLP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CC[NH+]2CCC1CC2 ZINC001160726813 815664717 /nfs/dbraw/zinc/66/47/17/815664717.db2.gz WLCJCDSAIODOPJ-CQSZACIVSA-N 3 2 295.431 -0.957 20 0 CBADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)N1CC[NH+]2CCC1CC2 ZINC001160726813 815664724 /nfs/dbraw/zinc/66/47/24/815664724.db2.gz WLCJCDSAIODOPJ-CQSZACIVSA-N 3 2 295.431 -0.957 20 0 CBADLP [NH3+]C[C@H](O)CC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC001160726153 815664968 /nfs/dbraw/zinc/66/49/68/815664968.db2.gz JRKLEMIEYDWGJD-LLVKDONJSA-N 2 2 252.318 -0.244 20 0 CBADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2N1)N1CCC(n2cc[nH+]c2)CC1 ZINC001160725860 815665425 /nfs/dbraw/zinc/66/54/25/815665425.db2.gz GAJWYNOMUUWYES-FPMFFAJLSA-N 2 2 289.383 -0.004 20 0 CBADLP CCN(CC(C)(C)O)C(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160755389 815666569 /nfs/dbraw/zinc/66/65/69/815666569.db2.gz HIKKMASLCIATIS-GWCFXTLKSA-N 2 2 255.362 -0.443 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1C[C@@H]2COC[C@H](C1)C2(F)F ZINC001160760691 815668713 /nfs/dbraw/zinc/66/87/13/815668713.db2.gz PGDDHGSAJLRYDD-JXUBOQSCSA-N 2 2 275.299 -0.727 20 0 CBADLP COC(=O)C[C@@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)C1 ZINC001160834136 815675860 /nfs/dbraw/zinc/67/58/60/815675860.db2.gz YGOURZYGTWODQA-HUBLWGQQSA-N 2 2 295.383 -0.260 20 0 CBADLP O=C(N1CCC(n2cccn2)CC1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160845331 815678003 /nfs/dbraw/zinc/67/80/03/815678003.db2.gz CECDVADEKLTQQU-SWLSCSKDSA-N 2 2 289.383 -0.002 20 0 CBADLP N[C@]1(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)CC[NH2+]C1 ZINC001160849610 815678505 /nfs/dbraw/zinc/67/85/05/815678505.db2.gz RVGXZCFJYDKJSF-CYBMUJFWSA-N 2 2 263.345 -0.194 20 0 CBADLP O=C([C@H]1[NH2+]CC[C@H]1O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001160849350 815678988 /nfs/dbraw/zinc/67/89/88/815678988.db2.gz PSXDFRKDEMZBHB-NEPJUHHUSA-N 2 2 264.329 -0.162 20 0 CBADLP O=C([C@H]1[NH2+]CC[C@H]1O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC001160849350 815678992 /nfs/dbraw/zinc/67/89/92/815678992.db2.gz PSXDFRKDEMZBHB-NEPJUHHUSA-N 2 2 264.329 -0.162 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]Cc2ccon2)O1 ZINC001160857542 815680609 /nfs/dbraw/zinc/68/06/09/815680609.db2.gz JOCDUJQBMRPWDQ-DGCLKSJQSA-N 2 2 296.371 -0.010 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]Cc2ccon2)O1 ZINC001160857542 815680613 /nfs/dbraw/zinc/68/06/13/815680613.db2.gz JOCDUJQBMRPWDQ-DGCLKSJQSA-N 2 2 296.371 -0.010 20 0 CBADLP CCOC(=O)[C@H]1[C@@H]2CN(C(=O)[C@H]([NH3+])Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC001160879418 815684278 /nfs/dbraw/zinc/68/42/78/815684278.db2.gz SIWOZUYVSPEMOH-KXNHARMFSA-N 2 2 292.339 -0.453 20 0 CBADLP C[C@H]1CN(C)C(=O)CN1C(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001160941334 815689736 /nfs/dbraw/zinc/68/97/36/815689736.db2.gz LTZGPXNIMJIECE-JTQLQIEISA-N 2 2 268.361 -0.983 20 0 CBADLP C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)[C@]13C[NH2+]C[C@@H]1CC[NH2+]3)C2 ZINC001160962281 815691176 /nfs/dbraw/zinc/69/11/76/815691176.db2.gz BTYVRVMXYKYAFR-MXYBEHONSA-N 3 2 278.400 -0.652 20 0 CBADLP NC(=O)C[NH2+]CCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001160991142 815693592 /nfs/dbraw/zinc/69/35/92/815693592.db2.gz NNJCPAHBDSDJAR-UHFFFAOYSA-N 2 2 275.312 -0.242 20 0 CBADLP CC(C)OC1CN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)C1 ZINC001161009635 815694007 /nfs/dbraw/zinc/69/40/07/815694007.db2.gz GTIHKMIVFWEOCF-WZRBSPASSA-N 2 2 253.346 -0.156 20 0 CBADLP NC(=S)C1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)CC1 ZINC001161031242 815699845 /nfs/dbraw/zinc/69/98/45/815699845.db2.gz XSVYFGCULOKSSZ-GWCFXTLKSA-N 2 2 282.413 -0.537 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCC(C(N)=S)CC1 ZINC001161030541 815700457 /nfs/dbraw/zinc/70/04/57/815700457.db2.gz ATCDDOQJSJCSIW-NSHDSACASA-N 2 2 295.412 -0.185 20 0 CBADLP COC(=O)[C@@H]([NH3+])CC(=O)N(C)[C@@H]1CCCC[C@H]1[NH3+] ZINC001161062979 815706890 /nfs/dbraw/zinc/70/68/90/815706890.db2.gz LIHYNIJNVMSDMZ-KXUCPTDWSA-N 2 2 257.334 -0.395 20 0 CBADLP CN(C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)C1(C)CC[NH2+]CC1 ZINC001161068918 815707539 /nfs/dbraw/zinc/70/75/39/815707539.db2.gz XYJKOJNNKVWNIZ-NSHDSACASA-N 3 2 265.361 -0.120 20 0 CBADLP Nc1ccc2c(c1)CN(C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])CC2 ZINC001161077891 815709607 /nfs/dbraw/zinc/70/96/07/815709607.db2.gz ZXEUROGNKSIQOO-STQMWFEESA-N 2 2 260.341 -0.300 20 0 CBADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)N2C[C@@H]3C[C@H]2C(=O)O3)cc1 ZINC001161084853 815711053 /nfs/dbraw/zinc/71/10/53/815711053.db2.gz JLVZXXDCBPYKSU-SRVKXCTJSA-N 2 2 275.308 -0.215 20 0 CBADLP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N(CC)C1C[NH+](C)C1 ZINC001161138035 815719076 /nfs/dbraw/zinc/71/90/76/815719076.db2.gz LGZOCMPVLJSVIF-GWCFXTLKSA-N 2 2 284.404 -0.362 20 0 CBADLP COC(=O)[C@]1([NH3+])CCN(C(=O)c2ccccc2C[NH3+])C1 ZINC001161138719 815719890 /nfs/dbraw/zinc/71/98/90/815719890.db2.gz DZVPBQBDIDPURA-AWEZNQCLSA-N 2 2 277.324 -0.138 20 0 CBADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@H]2CC[NH2+]C[C@H]2F)C1 ZINC001161138949 815720486 /nfs/dbraw/zinc/72/04/86/815720486.db2.gz HTABPJIHQICXPC-SBMIAAHKSA-N 2 2 273.308 -0.963 20 0 CBADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)c2cnc([C@@H](C)[NH3+])s2)C1 ZINC001161139532 815720551 /nfs/dbraw/zinc/72/05/51/815720551.db2.gz WURPKGPXKGNVGA-JMCQJSRRSA-N 2 2 298.368 -0.121 20 0 CBADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@@H]([NH3+])CC(F)F)C1 ZINC001161138443 815720805 /nfs/dbraw/zinc/72/08/05/815720805.db2.gz ALGKLCCNLPVREL-WKEGUHRASA-N 2 2 265.260 -0.928 20 0 CBADLP CCN(C(=O)[C@H](CCCC[NH3+])[NH2+]C)C1C[NH+](C)C1 ZINC001161138197 815720998 /nfs/dbraw/zinc/72/09/98/815720998.db2.gz PEVWQTDJKYUOPN-LBPRGKRZSA-N 3 2 256.394 -0.134 20 0 CBADLP CO[C@@H](C)C1CN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)C1 ZINC001161145640 815722013 /nfs/dbraw/zinc/72/20/13/815722013.db2.gz HFWNPCFHXMPPEB-WHIUSJLISA-N 2 2 253.346 -0.299 20 0 CBADLP CO[C@H](C)C1CN(C(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)C1 ZINC001161147343 815722135 /nfs/dbraw/zinc/72/21/35/815722135.db2.gz WLVZZDDJKYYOON-KCJUWKMLSA-N 2 2 252.318 -0.227 20 0 CBADLP CO[C@H](C)C1CN(C(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)C1 ZINC001161146854 815722165 /nfs/dbraw/zinc/72/21/65/815722165.db2.gz SOSVJXBZNXKQQX-IRUJWGPZSA-N 2 2 253.346 -0.569 20 0 CBADLP CCC[NH+]1C[C@H]2CN(C(=O)C3([NH3+])CC[NH2+]CC3)C[C@@H]2C1 ZINC001161175976 815724623 /nfs/dbraw/zinc/72/46/23/815724623.db2.gz QLZJOYLSSHOGJH-STQMWFEESA-N 3 2 280.416 -0.133 20 0 CBADLP CCC[NH+]1C[C@@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3CC[NH2+]4)C[C@H]2C1 ZINC001161175199 815724926 /nfs/dbraw/zinc/72/49/26/815724926.db2.gz IUDNWJKGSWDNQN-KQTLUZQSSA-N 3 2 292.427 -0.262 20 0 CBADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N2CCC(C3CC[NH2+]CC3)CC2)C1 ZINC001161209925 815728004 /nfs/dbraw/zinc/72/80/04/815728004.db2.gz FHHWFBFZEJWGQI-KBPBESRZSA-N 3 2 280.416 -0.086 20 0 CBADLP C[C@H]1CN(C(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)C[C@H](C)[NH2+]1 ZINC001161229788 815730062 /nfs/dbraw/zinc/73/00/62/815730062.db2.gz VYBVRNAKEYJORO-ZPFDUUQYSA-N 3 2 252.362 -0.853 20 0 CBADLP COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)C[C@@H]1CCC[NH2+]C1 ZINC001161237236 815731690 /nfs/dbraw/zinc/73/16/90/815731690.db2.gz JPQBBLOGUUYIEF-NWDGAFQWSA-N 2 2 283.372 -0.308 20 0 CBADLP COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)C[C@@H]1CCC[NH2+]C1 ZINC001161237236 815731695 /nfs/dbraw/zinc/73/16/95/815731695.db2.gz JPQBBLOGUUYIEF-NWDGAFQWSA-N 2 2 283.372 -0.308 20 0 CBADLP COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1CCC[NH2+][C@H]1C ZINC001161237709 815732675 /nfs/dbraw/zinc/73/26/75/815732675.db2.gz NRMSQRWMNGGELD-SRVKXCTJSA-N 2 2 283.372 -0.310 20 0 CBADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]1CCC[NH2+][C@H]1C ZINC001161237709 815732678 /nfs/dbraw/zinc/73/26/78/815732678.db2.gz NRMSQRWMNGGELD-SRVKXCTJSA-N 2 2 283.372 -0.310 20 0 CBADLP COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)C1CC[NH2+]CC1 ZINC001161239400 815733462 /nfs/dbraw/zinc/73/34/62/815733462.db2.gz ZTOWXSSZUGPNHS-LLVKDONJSA-N 2 2 269.345 -0.698 20 0 CBADLP COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)C1CC[NH2+]CC1 ZINC001161239400 815733465 /nfs/dbraw/zinc/73/34/65/815733465.db2.gz ZTOWXSSZUGPNHS-LLVKDONJSA-N 2 2 269.345 -0.698 20 0 CBADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CCC2(CCC(=O)N2)CC1 ZINC001161296228 815736737 /nfs/dbraw/zinc/73/67/37/815736737.db2.gz IZJYUMLXVRRYES-SDDRHHMPSA-N 2 2 292.383 -0.793 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCC[C@@H](Oc3ncccn3)C2)C1 ZINC001161296384 815736820 /nfs/dbraw/zinc/73/68/20/815736820.db2.gz SBFFUGLKEQLBQU-UTUOFQBUSA-N 2 2 291.355 -0.464 20 0 CBADLP O=C(N1CCC2(CCC(=O)N2)CC1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001161296986 815738225 /nfs/dbraw/zinc/73/82/25/815738225.db2.gz PNTNWQSTTAVXSY-XHDPSFHLSA-N 2 2 292.383 -0.791 20 0 CBADLP C[C@@H]([NH2+]CCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1)C(N)=O ZINC001161301681 815738605 /nfs/dbraw/zinc/73/86/05/815738605.db2.gz WHVIXEUOHRULKR-GHMZBOCLSA-N 2 2 293.371 -0.585 20 0 CBADLP C[C@H]([NH2+]CCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)C(N)=O ZINC001161316679 815740030 /nfs/dbraw/zinc/74/00/30/815740030.db2.gz XZCFYIBONHGDBT-WDEREUQCSA-N 2 2 293.371 -0.585 20 0 CBADLP O=C(NCCC[NH2+]CCCO)[C@@H]1CCc2[nH+]ccn2C1 ZINC001161314603 815740206 /nfs/dbraw/zinc/74/02/06/815740206.db2.gz DREOGUSINDBXDX-GFCCVEGCSA-N 2 2 280.372 -0.076 20 0 CBADLP CCN(C(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1)[C@@H]1CCC[NH2+]C1 ZINC001161329189 815741775 /nfs/dbraw/zinc/74/17/75/815741775.db2.gz WHCTXJHKBMLQBN-VXGBXAGGSA-N 3 2 265.361 -0.120 20 0 CBADLP CCN(C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2)[C@H]1CCC[NH2+]C1 ZINC001161333155 815742858 /nfs/dbraw/zinc/74/28/58/815742858.db2.gz SAQPTJXSTQIGHS-SFTQSGBHSA-N 3 2 266.389 -0.191 20 0 CBADLP COC(=O)[C@@H]([NH3+])CC(=O)N(C(C)C)[C@H]1CC[NH2+]C1 ZINC001161352002 815746051 /nfs/dbraw/zinc/74/60/51/815746051.db2.gz OXYHXHRDIYWECY-UWVGGRQHSA-N 2 2 257.334 -0.524 20 0 CBADLP [NH3+]C1CC[NH+]([C@H]2CCN(C(=O)C3([NH3+])CC3)C2)CC1 ZINC001161377608 815748711 /nfs/dbraw/zinc/74/87/11/815748711.db2.gz IWIBHYJYRMMVNZ-NSHDSACASA-N 3 2 252.362 -0.498 20 0 CBADLP [NH3+]C1(C(=O)N2CCO[C@H](C[NH+]3CCCC3)C2)CC[NH2+]CC1 ZINC001161389237 815750260 /nfs/dbraw/zinc/75/02/60/815750260.db2.gz PPVAMLNBTVADCS-CYBMUJFWSA-N 3 2 296.415 -0.610 20 0 CBADLP [NH3+][C@@H]1CC[C@H]2CN(C(=O)C3([NH3+])CC[NH2+]CC3)C[C@H]12 ZINC001161413771 815751795 /nfs/dbraw/zinc/75/17/95/815751795.db2.gz REZGVCZJQDNNKD-GARJFASQSA-N 3 2 252.362 -0.737 20 0 CBADLP O=C(C[NH2+]C1CC[NH2+]CC1)N1CC(=O)NC2(CCCC2)C1 ZINC001161417397 815754704 /nfs/dbraw/zinc/75/47/04/815754704.db2.gz UMMOFVQVNFFBAF-UHFFFAOYSA-N 2 2 294.399 -0.401 20 0 CBADLP C[NH+](C)CCN(C(=O)C1([NH3+])CC[NH2+]CC1)[C@@H]1CCC[NH2+]C1 ZINC001161444465 815755332 /nfs/dbraw/zinc/75/53/32/815755332.db2.gz IJPFEZRTMPQHMO-CYBMUJFWSA-N 4 2 297.447 -0.791 20 0 CBADLP COC(=O)[C@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)C[C@@H]1C ZINC001161459456 815757157 /nfs/dbraw/zinc/75/71/57/815757157.db2.gz LCLVQNWZRFEYTM-MIJXAVMKSA-N 2 2 281.356 -0.795 20 0 CBADLP COC(=O)[C@H]1CN(C(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)C[C@@H]1C ZINC001161459825 815757279 /nfs/dbraw/zinc/75/72/79/815757279.db2.gz VUYJKIVFXPGVFG-DLOVCJGASA-N 2 2 294.355 -0.443 20 0 CBADLP CN1C(=O)CC[C@H]2CN(C(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])CC[C@H]21 ZINC001161481244 815758588 /nfs/dbraw/zinc/75/85/88/815758588.db2.gz CZBOBZJSADHNKW-FIQHERPVSA-N 2 2 280.372 -0.998 20 0 CBADLP CN1C(=O)CC[C@H]2CN(C(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)CC[C@H]21 ZINC001161482848 815760432 /nfs/dbraw/zinc/76/04/32/815760432.db2.gz JNEAOVOWIZSFBS-WHOHXGKFSA-N 2 2 280.372 -0.855 20 0 CBADLP CCOC(=O)C[C@H]1CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])C[C@@H]1C ZINC001161501197 815764973 /nfs/dbraw/zinc/76/49/73/815764973.db2.gz YOTXVXORWMJLMV-RNJOBUHISA-N 2 2 297.399 -0.029 20 0 CBADLP COc1cc2c(cn1)CCN(C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)C2 ZINC001161528021 815767869 /nfs/dbraw/zinc/76/78/69/815767869.db2.gz VDIIAFRLDUYXOF-NEPJUHHUSA-N 2 2 276.340 -0.336 20 0 CBADLP O=C([C@H](CO)n1cc[nH+]c1)N1CC[NH2+]C2(CC2)C1 ZINC001161545714 815770600 /nfs/dbraw/zinc/77/06/00/815770600.db2.gz YYLZBSYFOCNMEA-JTQLQIEISA-N 2 2 250.302 -0.619 20 0 CBADLP CCOC(=O)[C@H]([NH3+])CNc1ncnc2c1CC[NH2+]CC2 ZINC001161945443 815795740 /nfs/dbraw/zinc/79/57/40/815795740.db2.gz JQWMVVIXPRICTM-SNVBAGLBSA-N 2 2 279.344 -0.533 20 0 CBADLP C[C@@H]([NH2+]CCCNC(=O)c1cccc2[nH+]ccn21)C(N)=O ZINC001162427149 815816672 /nfs/dbraw/zinc/81/66/72/815816672.db2.gz BKUVRYDMRGEKQQ-SNVBAGLBSA-N 2 2 289.339 -0.082 20 0 CBADLP NC(=O)C1(Nc2[nH+]cccc2N2CC[NH2+]CC2)CC1 ZINC001162543091 815833883 /nfs/dbraw/zinc/83/38/83/815833883.db2.gz BWQCNBUIRWIIJX-UHFFFAOYSA-N 2 2 261.329 -0.079 20 0 CBADLP C[C@H]1[NH2+]CC[C@H]1Nc1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC001162670399 815839365 /nfs/dbraw/zinc/83/93/65/815839365.db2.gz JAZUKVYFZKFWAC-GHMZBOCLSA-N 2 2 290.371 -0.083 20 0 CBADLP CCNC(=O)C[NH2+]CCCNC(=O)CCc1[nH+]ccn1C ZINC001163044191 815856094 /nfs/dbraw/zinc/85/60/94/815856094.db2.gz NPVJWOWLSCLRGU-UHFFFAOYSA-N 2 2 295.387 -0.415 20 0 CBADLP C[N@@H+]1CCc2ncnc(N[C@@]34CC[NH2+][C@H]3CC(=O)N4)c2C1 ZINC001163242875 815871961 /nfs/dbraw/zinc/87/19/61/815871961.db2.gz RBOJNXQNXNRVBJ-FZMZJTMJSA-N 2 2 288.355 -0.546 20 0 CBADLP C[N@H+]1CCc2ncnc(N[C@@]34CC[NH2+][C@H]3CC(=O)N4)c2C1 ZINC001163242875 815871968 /nfs/dbraw/zinc/87/19/68/815871968.db2.gz RBOJNXQNXNRVBJ-FZMZJTMJSA-N 2 2 288.355 -0.546 20 0 CBADLP CN1CC[C@@H]([NH2+]CCCNC(=O)CCn2cc[nH+]c2)C1=O ZINC001163593559 815890269 /nfs/dbraw/zinc/89/02/69/815890269.db2.gz KPNDBXVWUHWZIA-GFCCVEGCSA-N 2 2 293.371 -0.400 20 0 CBADLP O=C(CCn1cc[nH+]c1)NCCC[NH2+][C@@H]1CCNC1=O ZINC001163593533 815890469 /nfs/dbraw/zinc/89/04/69/815890469.db2.gz JVNCTCXSGWEICI-LLVKDONJSA-N 2 2 279.344 -0.742 20 0 CBADLP CC(C)NC(=O)C[NH2+]CCCNC(=O)CCn1cc[nH+]c1 ZINC001163593584 815890837 /nfs/dbraw/zinc/89/08/37/815890837.db2.gz LSAMEWPNCXGIFW-UHFFFAOYSA-N 2 2 295.387 -0.106 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)NCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001292586553 816469623 /nfs/dbraw/zinc/46/96/23/816469623.db2.gz LZVFUMFMXIAGGT-JTQLQIEISA-N 2 2 279.344 -0.721 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)NCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001292586553 816469626 /nfs/dbraw/zinc/46/96/26/816469626.db2.gz LZVFUMFMXIAGGT-JTQLQIEISA-N 2 2 279.344 -0.721 20 0 CBADLP CC[C@@H](C(=O)N1CC[NH+](CCCNC(C)=O)CC1)[NH+](C)C ZINC001294645585 816542037 /nfs/dbraw/zinc/54/20/37/816542037.db2.gz QCVLCRCAOJKHTO-AWEZNQCLSA-N 2 2 298.431 -0.003 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001304086185 816779062 /nfs/dbraw/zinc/77/90/62/816779062.db2.gz WTFJBJOKINEDRC-SNVBAGLBSA-N 2 2 264.329 -0.448 20 0 CBADLP CC[NH+]1CCC(C[NH+]2CC3(C2)NC(=O)NC3=O)CC1 ZINC001308977790 816829068 /nfs/dbraw/zinc/82/90/68/816829068.db2.gz HEYQNCUANGKRJM-UHFFFAOYSA-N 2 2 266.345 -0.388 20 0 CBADLP C[N@H+](CCCNC(=O)CCn1cc[nH+]c1)[C@@H]1CCNC1=O ZINC001316840096 816888856 /nfs/dbraw/zinc/88/88/56/816888856.db2.gz VYGYFRQRBSCPPB-GFCCVEGCSA-N 2 2 293.371 -0.400 20 0 CBADLP C[N@@H+](CCCNC(=O)CCn1cc[nH+]c1)[C@@H]1CCNC1=O ZINC001316840096 816888864 /nfs/dbraw/zinc/88/88/64/816888864.db2.gz VYGYFRQRBSCPPB-GFCCVEGCSA-N 2 2 293.371 -0.400 20 0 CBADLP C[C@@H](C(N)=O)[N@H+](C)CCCNC(=O)Cc1c[nH+]cn1C ZINC001316859416 816894636 /nfs/dbraw/zinc/89/46/36/816894636.db2.gz OYOKWOJYYKHBLS-JTQLQIEISA-N 2 2 281.360 -0.726 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+](C)CCCNC(=O)Cc1c[nH+]cn1C ZINC001316859416 816894643 /nfs/dbraw/zinc/89/46/43/816894643.db2.gz OYOKWOJYYKHBLS-JTQLQIEISA-N 2 2 281.360 -0.726 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N2CCCC[C@H]2C[NH2+]CCCO)C1 ZINC001317185935 816938476 /nfs/dbraw/zinc/93/84/76/816938476.db2.gz XXLTYXQTYHRPIF-UONOGXRCSA-N 2 2 299.415 -0.330 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N2CCCC[C@H]2C[NH2+]CCCO)C1 ZINC001317185935 816938481 /nfs/dbraw/zinc/93/84/81/816938481.db2.gz XXLTYXQTYHRPIF-UONOGXRCSA-N 2 2 299.415 -0.330 20 0 CBADLP CN(CC[NH2+]CCS(C)(=O)=O)C(=O)[C@H]1CCC[N@@H+]1C ZINC001317619384 817030749 /nfs/dbraw/zinc/03/07/49/817030749.db2.gz XXVANAAXAYVSFV-LLVKDONJSA-N 2 2 291.417 -0.827 20 0 CBADLP CN(CC[NH2+]CCS(C)(=O)=O)C(=O)[C@H]1CCC[N@H+]1C ZINC001317619384 817030757 /nfs/dbraw/zinc/03/07/57/817030757.db2.gz XXVANAAXAYVSFV-LLVKDONJSA-N 2 2 291.417 -0.827 20 0 CBADLP C[C@@H]1CC[N@H+](CC(=O)N(C)CC[NH2+]Cc2cnon2)C1 ZINC001317625879 817032238 /nfs/dbraw/zinc/03/22/38/817032238.db2.gz KCHKOAMSJSGHJV-LLVKDONJSA-N 2 2 281.360 -0.041 20 0 CBADLP C[C@@H]1CC[N@@H+](CC(=O)N(C)CC[NH2+]Cc2cnon2)C1 ZINC001317625879 817032246 /nfs/dbraw/zinc/03/22/46/817032246.db2.gz KCHKOAMSJSGHJV-LLVKDONJSA-N 2 2 281.360 -0.041 20 0 CBADLP CN(CC[NH2+]Cc1cnon1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001317662210 817042616 /nfs/dbraw/zinc/04/26/16/817042616.db2.gz WJRFWRDDOPYKMK-SNVBAGLBSA-N 2 2 267.333 -0.431 20 0 CBADLP CN(CC[NH2+]Cc1cnon1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001317662210 817042621 /nfs/dbraw/zinc/04/26/21/817042621.db2.gz WJRFWRDDOPYKMK-SNVBAGLBSA-N 2 2 267.333 -0.431 20 0 CBADLP COCCC[NH+]1CC(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001318010115 817064221 /nfs/dbraw/zinc/06/42/21/817064221.db2.gz NJIRTGISSAMIGW-GFCCVEGCSA-N 2 2 255.362 -0.083 20 0 CBADLP COCCC[NH+]1CC(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001318010115 817064226 /nfs/dbraw/zinc/06/42/26/817064226.db2.gz NJIRTGISSAMIGW-GFCCVEGCSA-N 2 2 255.362 -0.083 20 0 CBADLP CC(C)[C@@H](C(=O)NC1C[NH+](CCCO)C1)[NH+](C)C ZINC001318032809 817066500 /nfs/dbraw/zinc/06/65/00/817066500.db2.gz MGTHXHJEFTZIKO-LBPRGKRZSA-N 2 2 257.378 -0.245 20 0 CBADLP COCC[NH+]1CC(NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001318030530 817067601 /nfs/dbraw/zinc/06/76/01/817067601.db2.gz CMLAASWPZJKAFK-UHFFFAOYSA-N 2 2 255.362 -0.083 20 0 CBADLP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC(N)=O)C1 ZINC001318299904 817094804 /nfs/dbraw/zinc/09/48/04/817094804.db2.gz NLGYCRUMRJBCFN-JTQLQIEISA-N 2 2 256.350 -0.996 20 0 CBADLP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CC(N)=O)C1 ZINC001318299904 817094809 /nfs/dbraw/zinc/09/48/09/817094809.db2.gz NLGYCRUMRJBCFN-JTQLQIEISA-N 2 2 256.350 -0.996 20 0 CBADLP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001318299904 817094810 /nfs/dbraw/zinc/09/48/10/817094810.db2.gz NLGYCRUMRJBCFN-JTQLQIEISA-N 2 2 256.350 -0.996 20 0 CBADLP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001318299904 817094816 /nfs/dbraw/zinc/09/48/16/817094816.db2.gz NLGYCRUMRJBCFN-JTQLQIEISA-N 2 2 256.350 -0.996 20 0 CBADLP CCOCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001318393530 817106892 /nfs/dbraw/zinc/10/68/92/817106892.db2.gz LABOBKFGSYXAKQ-KGLIPLIRSA-N 2 2 299.415 -0.114 20 0 CBADLP CCOCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001318393530 817106897 /nfs/dbraw/zinc/10/68/97/817106897.db2.gz LABOBKFGSYXAKQ-KGLIPLIRSA-N 2 2 299.415 -0.114 20 0 CBADLP CCOCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001318393530 817106902 /nfs/dbraw/zinc/10/69/02/817106902.db2.gz LABOBKFGSYXAKQ-KGLIPLIRSA-N 2 2 299.415 -0.114 20 0 CBADLP CCOCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001318393530 817106910 /nfs/dbraw/zinc/10/69/10/817106910.db2.gz LABOBKFGSYXAKQ-KGLIPLIRSA-N 2 2 299.415 -0.114 20 0 CBADLP CC[C@@H](C(N)=O)[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC001319606175 817223925 /nfs/dbraw/zinc/22/39/25/817223925.db2.gz HAWNIDMTJRVTMP-STQMWFEESA-N 2 2 268.405 -0.038 20 0 CBADLP CC[C@@H](C(N)=O)[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC001319606175 817223932 /nfs/dbraw/zinc/22/39/32/817223932.db2.gz HAWNIDMTJRVTMP-STQMWFEESA-N 2 2 268.405 -0.038 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC001320144339 817281462 /nfs/dbraw/zinc/28/14/62/817281462.db2.gz BCOYHFRHSHTXKU-FRRDWIJNSA-N 2 2 268.405 -0.182 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC001320144339 817281468 /nfs/dbraw/zinc/28/14/68/817281468.db2.gz BCOYHFRHSHTXKU-FRRDWIJNSA-N 2 2 268.405 -0.182 20 0 CBADLP O=C(CCn1cc[nH+]c1)NC[C@@H](O)C[NH2+]CC1CC1 ZINC001320262118 817306612 /nfs/dbraw/zinc/30/66/12/817306612.db2.gz VQYPZNJZQHXOJY-LBPRGKRZSA-N 2 2 266.345 -0.250 20 0 CBADLP CCN(CC[NH2+]CC(=O)NC)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001320758146 817387519 /nfs/dbraw/zinc/38/75/19/817387519.db2.gz CRNRNRSATILBPY-GHMZBOCLSA-N 2 2 293.371 -0.303 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC/C=C\C[NH2+]CC(=O)N1CCC1 ZINC001321432428 817498753 /nfs/dbraw/zinc/49/87/53/817498753.db2.gz OEQZRXOCFBVXHE-UPHRSURJSA-N 2 2 291.355 -0.623 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NC/C=C/C[NH2+]Cc1cnn(C)n1 ZINC001321422204 817498810 /nfs/dbraw/zinc/49/88/10/817498810.db2.gz ZTDXQWYLNUAAAV-AATRIKPKSA-N 2 2 294.403 -0.083 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NC/C=C/C[NH2+]Cc1cnn(C)n1 ZINC001321422204 817498814 /nfs/dbraw/zinc/49/88/14/817498814.db2.gz ZTDXQWYLNUAAAV-AATRIKPKSA-N 2 2 294.403 -0.083 20 0 CBADLP Cc1n[nH]c(CC[NH2+]C[C@H](O)C[NH2+]C(C)(C)C)n1 ZINC001253406759 825913760 /nfs/dbraw/zinc/91/37/60/825913760.db2.gz VQGZKZCORUEYSY-JTQLQIEISA-N 2 2 255.366 -0.006 20 0 CBADLP Cc1nc(CC[NH2+]C[C@H](O)C[NH2+]C(C)(C)C)n[nH]1 ZINC001253406759 825913771 /nfs/dbraw/zinc/91/37/71/825913771.db2.gz VQGZKZCORUEYSY-JTQLQIEISA-N 2 2 255.366 -0.006 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)N(CCO)CC[NH2+]Cc1ccon1 ZINC001272129346 827760192 /nfs/dbraw/zinc/76/01/92/827760192.db2.gz FTVTVQJDOHVFAB-CYBMUJFWSA-N 2 2 296.371 -0.321 20 0 CBADLP C[N@@H+]1CCc2ncnc(N(CC[NH3+])CCO)c2C1 ZINC001163832365 819856206 /nfs/dbraw/zinc/85/62/06/819856206.db2.gz OZSLJMSXGFFSTK-UHFFFAOYSA-N 2 2 251.334 -0.778 20 0 CBADLP C[N@H+]1CCc2ncnc(N(CC[NH3+])CCO)c2C1 ZINC001163832365 819856213 /nfs/dbraw/zinc/85/62/13/819856213.db2.gz OZSLJMSXGFFSTK-UHFFFAOYSA-N 2 2 251.334 -0.778 20 0 CBADLP NC(=O)C1CCN(c2cc(N3CC[C@H]([NH3+])C3)nc[nH+]2)CC1 ZINC001164278049 819895998 /nfs/dbraw/zinc/89/59/98/819895998.db2.gz DYOSXIJDGPWJDY-NSHDSACASA-N 2 2 290.371 -0.284 20 0 CBADLP COC(=O)[C@@H]1C[C@H](Nc2ncnc3c2C[NH2+]CC3)C[NH2+]1 ZINC001164302401 819906189 /nfs/dbraw/zinc/90/61/89/819906189.db2.gz TVWIBCIMCWPPOW-KWQFWETISA-N 2 2 277.328 -0.562 20 0 CBADLP COC(=O)[C@@H]1C[C@H](Nc2cccc(C[NH3+])n2)C[NH2+]1 ZINC001164311681 819908255 /nfs/dbraw/zinc/90/82/55/819908255.db2.gz DAJWJUUOVKSELA-UWVGGRQHSA-N 2 2 250.302 -0.144 20 0 CBADLP C[NH+]1CCN(c2cccc(N3C[C@H](O)[C@H](CO)C3)[nH+]2)CC1 ZINC001164544997 819925859 /nfs/dbraw/zinc/92/58/59/819925859.db2.gz OBIQHZLCGXMENC-STQMWFEESA-N 2 2 292.383 -0.377 20 0 CBADLP OC[C@@H]1CN(c2ccc(N3CC[NH2+]CC3)c[nH+]2)C[C@H]1O ZINC001164546244 819926925 /nfs/dbraw/zinc/92/69/25/819926925.db2.gz ZIRWUKUWOAIFPE-WCQYABFASA-N 2 2 278.356 -0.719 20 0 CBADLP Cc1nc(-n2cncn2)cc(N2C[C@@H]3[C@H]([NH3+])[C@@H]3C2)[nH+]1 ZINC001165384288 819959736 /nfs/dbraw/zinc/95/97/36/819959736.db2.gz AWKXIEDGAMITHR-BZBKMWRSSA-N 2 2 257.301 -0.241 20 0 CBADLP NC(=O)[C@@H]1CCCN1c1cc(N2CCC([NH3+])CC2)[nH+]cn1 ZINC001166665480 820014109 /nfs/dbraw/zinc/01/41/09/820014109.db2.gz AALPKFJAPMTBCL-NSHDSACASA-N 2 2 290.371 -0.142 20 0 CBADLP NC(=O)[C@@H]1CCCN1c1cc(N2CCC([NH3+])CC2)nc[nH+]1 ZINC001166665480 820014118 /nfs/dbraw/zinc/01/41/18/820014118.db2.gz AALPKFJAPMTBCL-NSHDSACASA-N 2 2 290.371 -0.142 20 0 CBADLP C[C@H]([NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(N)=O ZINC001166960267 820053612 /nfs/dbraw/zinc/05/36/12/820053612.db2.gz CVKMQVVOCCJLJY-HBNTYKKESA-N 2 2 293.371 -0.507 20 0 CBADLP C[C@@H]([NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(N)=O ZINC001166960258 820054046 /nfs/dbraw/zinc/05/40/46/820054046.db2.gz CVKMQVVOCCJLJY-GMTAPVOTSA-N 2 2 293.371 -0.507 20 0 CBADLP CCCNC(=O)[C@H](C)[NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001167350024 820083068 /nfs/dbraw/zinc/08/30/68/820083068.db2.gz OGNUNWZYADSNOX-NSHDSACASA-N 2 2 295.387 -0.037 20 0 CBADLP COC[C@H](O)C[NH2+]CCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001167429015 820089744 /nfs/dbraw/zinc/08/97/44/820089744.db2.gz OTUHGNCHKXUYCM-CHWSQXEVSA-N 2 2 298.387 -0.063 20 0 CBADLP C[C@@H](CC(=O)NCCC[NH2+][C@@H]1CCNC1=O)n1cc[nH+]c1 ZINC001167429783 820089991 /nfs/dbraw/zinc/08/99/91/820089991.db2.gz XNGTWRZALVMDIW-NWDGAFQWSA-N 2 2 293.371 -0.181 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCCC1(C[NH2+]CC(N)=O)CC1 ZINC001167900474 820126944 /nfs/dbraw/zinc/12/69/44/820126944.db2.gz JHQOSTXHVDNJOA-UHFFFAOYSA-N 2 2 293.371 -0.378 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCC[NH2+][C@H]1CCNC1=O ZINC001167977728 820136402 /nfs/dbraw/zinc/13/64/02/820136402.db2.gz HZWBGXBDLNRVIL-PWSUYJOCSA-N 2 2 293.371 -0.427 20 0 CBADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCC[NH2+][C@H]1CCNC1=O ZINC001167977728 820136404 /nfs/dbraw/zinc/13/64/04/820136404.db2.gz HZWBGXBDLNRVIL-PWSUYJOCSA-N 2 2 293.371 -0.427 20 0 CBADLP COC(=O)[C@@H](CC(N)=O)[NH2+]C1CCC([NH+](C)C)CC1 ZINC001168305158 820156310 /nfs/dbraw/zinc/15/63/10/820156310.db2.gz JSZNDQDTRSTSEQ-VQXHTEKXSA-N 2 2 271.361 -0.134 20 0 CBADLP O=C(CC[NH+]1CCOCC1)NCCC[NH2+]Cc1ccon1 ZINC001168417121 820161603 /nfs/dbraw/zinc/16/16/03/820161603.db2.gz NDTXQYFDFHSXJF-UHFFFAOYSA-N 2 2 296.371 -0.007 20 0 CBADLP C[NH+]1CCN(C(=[NH2+])Nc2nnc(Cl)nn2)CC1 ZINC001168735729 820169508 /nfs/dbraw/zinc/16/95/08/820169508.db2.gz FTUFTRWAVGSHLM-UHFFFAOYSA-N 2 2 256.701 -0.486 20 0 CBADLP C[NH+]1CCN(C(=[NH2+])Nc2cnc([S@](C)=O)nc2)CC1 ZINC001168746519 820173049 /nfs/dbraw/zinc/17/30/49/820173049.db2.gz UMSGHRYYHFEPPH-IBGZPJMESA-N 2 2 282.373 -0.192 20 0 CBADLP [NH3+]Cc1nc(=O)[nH]n1-c1nc(Cl)nc2c1CC[NH2+]CC2 ZINC001168755875 820177283 /nfs/dbraw/zinc/17/72/83/820177283.db2.gz LHVHBLOQLDXMMV-UHFFFAOYSA-N 2 2 295.734 -0.437 20 0 CBADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cc(-n2ccnc2)ncn1 ZINC001169066800 820203417 /nfs/dbraw/zinc/20/34/17/820203417.db2.gz KGOBSXHPFPHPKR-SNVBAGLBSA-N 2 2 285.311 -0.290 20 0 CBADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1nccc(-c2cnccn2)n1 ZINC001169072696 820204631 /nfs/dbraw/zinc/20/46/31/820204631.db2.gz SDGUKVSGNXCCBL-SNVBAGLBSA-N 2 2 297.322 -0.019 20 0 CBADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccc2[nH]c(=O)cc-2[nH]1 ZINC001169074542 820205068 /nfs/dbraw/zinc/20/50/68/820205068.db2.gz QVJSQGCKHKVSNI-MRVPVSSYSA-N 2 2 273.296 -0.376 20 0 CBADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccn2ncnc2c1 ZINC001169075283 820205681 /nfs/dbraw/zinc/20/56/81/820205681.db2.gz XJSZCCJCWMZSNA-SECBINFHSA-N 2 2 258.285 -0.223 20 0 CBADLP Cn1cnc2ncc(-n3c[nH+]cc3C[C@@H]([NH3+])CO)nc21 ZINC001169075573 820207023 /nfs/dbraw/zinc/20/70/23/820207023.db2.gz ISBUFJRQECADIQ-MRVPVSSYSA-N 2 2 273.300 -0.589 20 0 CBADLP CC[NH+]1CCC([NH2+][C@@H](C)C(=O)N[C@@H](C)C(N)=O)CC1 ZINC001169241081 820216514 /nfs/dbraw/zinc/21/65/14/820216514.db2.gz GKPZOSZWYVDOHN-UWVGGRQHSA-N 2 2 270.377 -0.561 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNc1cnc(O[C@@H]2CC[NH2+]C2)nc1 ZINC001169654779 820264082 /nfs/dbraw/zinc/26/40/82/820264082.db2.gz WDJVUJFQRAZRQL-CHWSQXEVSA-N 2 2 293.371 -0.040 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNc1cnc(O[C@@H]2CC[NH2+]C2)nc1 ZINC001169654779 820264088 /nfs/dbraw/zinc/26/40/88/820264088.db2.gz WDJVUJFQRAZRQL-CHWSQXEVSA-N 2 2 293.371 -0.040 20 0 CBADLP CN(c1cc(N2CCN(C)C(=O)C2)[nH+]cn1)C(C)(C)C[NH3+] ZINC001170056330 820278061 /nfs/dbraw/zinc/27/80/61/820278061.db2.gz UJXGVGPTNKHIOT-UHFFFAOYSA-N 2 2 292.387 -0.072 20 0 CBADLP C[NH2+]Cc1cc(-n2[nH]c(=O)c(CC[NH3+])c2C)ncn1 ZINC001170337603 820288600 /nfs/dbraw/zinc/28/86/00/820288600.db2.gz FMVJPZUAEYPKLT-UHFFFAOYSA-N 2 2 262.317 -0.103 20 0 CBADLP C[N@@H+]1CCc2ncnc(NCCOCCOCC[NH3+])c2C1 ZINC001170508379 820297083 /nfs/dbraw/zinc/29/70/83/820297083.db2.gz QNPNERPFDOFSRN-UHFFFAOYSA-N 2 2 295.387 -0.132 20 0 CBADLP C[N@H+]1CCc2ncnc(NCCOCCOCC[NH3+])c2C1 ZINC001170508379 820297090 /nfs/dbraw/zinc/29/70/90/820297090.db2.gz QNPNERPFDOFSRN-UHFFFAOYSA-N 2 2 295.387 -0.132 20 0 CBADLP CC[C@@]([NH3+])(CO)Nc1nccnc1N1CC[NH+](C)CC1 ZINC001170858588 820327997 /nfs/dbraw/zinc/32/79/97/820327997.db2.gz PDGHHRWIINOVLI-ZDUSSCGKSA-N 2 2 280.376 -0.302 20 0 CBADLP [NH3+]CCC[C@@H]([NH3+])Nc1cc[nH+]c(N2CCC([NH3+])CC2)n1 ZINC001170898900 820334534 /nfs/dbraw/zinc/33/45/34/820334534.db2.gz RQDLHFFIQAIQIR-NSHDSACASA-N 4 2 279.392 -0.160 20 0 CBADLP [NH3+]CCC[C@H]([NH3+])Nc1cc[nH+]c(N2CCC([NH3+])CC2)n1 ZINC001170898899 820336036 /nfs/dbraw/zinc/33/60/36/820336036.db2.gz RQDLHFFIQAIQIR-LLVKDONJSA-N 4 2 279.392 -0.160 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]CCCNC(=O)Cc1c[nH+]cn1C ZINC001171244009 820353111 /nfs/dbraw/zinc/35/31/11/820353111.db2.gz JRLFRAFADHZJGF-JTQLQIEISA-N 2 2 281.360 -0.807 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NCCC[NH2+]CC(=O)NC1CC1 ZINC001171238951 820353228 /nfs/dbraw/zinc/35/32/28/820353228.db2.gz UDOKFWBQOOQZTQ-UHFFFAOYSA-N 2 2 293.371 -0.663 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NCCC[NH2+]Cc1ncnn1C ZINC001171238465 820353792 /nfs/dbraw/zinc/35/37/92/820353792.db2.gz OWEYXPMYFVWAFJ-UHFFFAOYSA-N 2 2 291.359 -0.613 20 0 CBADLP CCC[N@H+](C)CC(=O)NCCC[NH2+]Cc1nnn(C)n1 ZINC001171758354 820369773 /nfs/dbraw/zinc/36/97/73/820369773.db2.gz YYESDKHHMITUME-UHFFFAOYSA-N 2 2 283.380 -0.852 20 0 CBADLP CCC[N@@H+](C)CC(=O)NCCC[NH2+]Cc1nnn(C)n1 ZINC001171758354 820369775 /nfs/dbraw/zinc/36/97/75/820369775.db2.gz YYESDKHHMITUME-UHFFFAOYSA-N 2 2 283.380 -0.852 20 0 CBADLP [NH3+]C[C@@H]1C[N@@H+]([C@H]2CCN3C(=O)CC[C@H]3C2)CCO1 ZINC001172150772 820385955 /nfs/dbraw/zinc/38/59/55/820385955.db2.gz PRZOVGZXKFGPKG-SDDRHHMPSA-N 2 2 253.346 -0.201 20 0 CBADLP [NH3+]C[C@@H]1C[N@H+]([C@H]2CCN3C(=O)CC[C@H]3C2)CCO1 ZINC001172150772 820385964 /nfs/dbraw/zinc/38/59/64/820385964.db2.gz PRZOVGZXKFGPKG-SDDRHHMPSA-N 2 2 253.346 -0.201 20 0 CBADLP CC[N@@H+]1CC[C@H](NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)OC)C1 ZINC001173351521 820399963 /nfs/dbraw/zinc/39/99/63/820399963.db2.gz BRKGRMZNCFHRMR-QWRGUYRKSA-N 3 2 285.392 -0.525 20 0 CBADLP CC[N@H+]1CC[C@H](NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)OC)C1 ZINC001173351521 820399970 /nfs/dbraw/zinc/39/99/70/820399970.db2.gz BRKGRMZNCFHRMR-QWRGUYRKSA-N 3 2 285.392 -0.525 20 0 CBADLP C[NH+](C)[C@@H](C(=O)NCCC[NH2+]CC(N)=O)c1cccnc1 ZINC001177064452 820491429 /nfs/dbraw/zinc/49/14/29/820491429.db2.gz QMGAARGATYPSEK-CYBMUJFWSA-N 2 2 293.371 -0.735 20 0 CBADLP C[NH+](C)CCC(=O)N1CC[C@@H]2OCC[N@H+](CCO)[C@@H]2C1 ZINC001177089854 820492440 /nfs/dbraw/zinc/49/24/40/820492440.db2.gz WEDOUGFVDMYWGX-OLZOCXBDSA-N 2 2 285.388 -0.768 20 0 CBADLP C[NH+](C)CCC(=O)N1CC[C@@H]2OCC[N@@H+](CCO)[C@@H]2C1 ZINC001177089854 820492447 /nfs/dbraw/zinc/49/24/47/820492447.db2.gz WEDOUGFVDMYWGX-OLZOCXBDSA-N 2 2 285.388 -0.768 20 0 CBADLP C[NH+](C)CCCC(=O)N1CC[C@@H]2OCC[N@H+](CCO)[C@H]2C1 ZINC001177087868 820492892 /nfs/dbraw/zinc/49/28/92/820492892.db2.gz HAWLVOGNYIJWAT-KBPBESRZSA-N 2 2 299.415 -0.378 20 0 CBADLP C[NH+](C)CCCC(=O)N1CC[C@@H]2OCC[N@@H+](CCO)[C@H]2C1 ZINC001177087868 820492898 /nfs/dbraw/zinc/49/28/98/820492898.db2.gz HAWLVOGNYIJWAT-KBPBESRZSA-N 2 2 299.415 -0.378 20 0 CBADLP O=C(CCCn1cc[nH+]c1)NCCC[NH2+]CCOCCO ZINC001177351887 820505652 /nfs/dbraw/zinc/50/56/52/820505652.db2.gz WTSAHEGKUPCEMT-UHFFFAOYSA-N 2 2 298.387 -0.232 20 0 CBADLP CC[C@H](C)NC(=O)C[NH2+]CCCNC(=O)Cn1cc[nH+]c1 ZINC001177400983 820511335 /nfs/dbraw/zinc/51/13/35/820511335.db2.gz OYYGJTFOHCVGHO-LBPRGKRZSA-N 2 2 295.387 -0.106 20 0 CBADLP O=C(Cn1cc[nH+]c1)NCCC[NH2+]CCN1CCNC1=O ZINC001177405055 820512107 /nfs/dbraw/zinc/51/21/07/820512107.db2.gz KBHAFKYTCJBNKK-UHFFFAOYSA-N 2 2 294.359 -0.996 20 0 CBADLP O=C(Cn1cc[nH+]c1)NCCC[NH2+]CC(=O)N1CCC1 ZINC001177411352 820513866 /nfs/dbraw/zinc/51/38/66/820513866.db2.gz KIBURMCHRGTMEH-UHFFFAOYSA-N 2 2 279.344 -0.789 20 0 CBADLP C[NH+]1CCC(CO)(NC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001178000789 820552810 /nfs/dbraw/zinc/55/28/10/820552810.db2.gz FYCPFIZTGAKQTR-UHFFFAOYSA-N 2 2 266.345 -0.085 20 0 CBADLP COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H]1C ZINC001179618063 820636925 /nfs/dbraw/zinc/63/69/25/820636925.db2.gz ZGAIKKBEGSFAIB-UHTWSYAYSA-N 2 2 296.371 -0.462 20 0 CBADLP C[C@@H](C(=O)NC[C@H]1C[N@H+](C)CCO1)[NH+]1CCCC1 ZINC001180585148 820696642 /nfs/dbraw/zinc/69/66/42/820696642.db2.gz NLNNZKZXEAUCRK-RYUDHWBXSA-N 2 2 255.362 -0.083 20 0 CBADLP C[C@@H](C(=O)NC[C@H]1C[N@@H+](C)CCO1)[NH+]1CCCC1 ZINC001180585148 820696649 /nfs/dbraw/zinc/69/66/49/820696649.db2.gz NLNNZKZXEAUCRK-RYUDHWBXSA-N 2 2 255.362 -0.083 20 0 CBADLP C[NH+]1CC(NC(=O)CC[NH+]2CCC(C(N)=O)CC2)C1 ZINC001180612842 820700246 /nfs/dbraw/zinc/70/02/46/820700246.db2.gz SYLGIZPAPXYBSG-UHFFFAOYSA-N 2 2 268.361 -0.996 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)n2ccc([C@H]3CCC[NH2+]3)nc2=N)C1 ZINC001180759595 820717946 /nfs/dbraw/zinc/71/79/46/820717946.db2.gz QGDIRSJQDNTNEW-PWSUYJOCSA-N 2 2 291.355 -0.242 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)n2ccc([C@H]3CCC[NH2+]3)nc2=N)C1 ZINC001180759595 820717954 /nfs/dbraw/zinc/71/79/54/820717954.db2.gz QGDIRSJQDNTNEW-PWSUYJOCSA-N 2 2 291.355 -0.242 20 0 CBADLP C[NH+]1CCC[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]21 ZINC001180760578 820718325 /nfs/dbraw/zinc/71/83/25/820718325.db2.gz WVFPZHXWJWQCIK-UPJWGTAASA-N 2 2 267.373 -0.130 20 0 CBADLP C[NH+]1CCC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]21 ZINC001180760578 820718332 /nfs/dbraw/zinc/71/83/32/820718332.db2.gz WVFPZHXWJWQCIK-UPJWGTAASA-N 2 2 267.373 -0.130 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N2C[C@H]3CCC[N@H+](C)[C@@H]3C2)C1 ZINC001180760578 820718339 /nfs/dbraw/zinc/71/83/39/820718339.db2.gz WVFPZHXWJWQCIK-UPJWGTAASA-N 2 2 267.373 -0.130 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N2C[C@H]3CCC[N@@H+](C)[C@@H]3C2)C1 ZINC001180760578 820718345 /nfs/dbraw/zinc/71/83/45/820718345.db2.gz WVFPZHXWJWQCIK-UPJWGTAASA-N 2 2 267.373 -0.130 20 0 CBADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)[C@H](C)[NH+](C)C ZINC001180863115 820735110 /nfs/dbraw/zinc/73/51/10/820735110.db2.gz FGWJXPIDXUMGLB-ONGXEEELSA-N 2 2 282.344 -0.430 20 0 CBADLP CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001182204592 820892159 /nfs/dbraw/zinc/89/21/59/820892159.db2.gz RFCLKOPRXHWRDG-LLVKDONJSA-N 2 2 293.371 -0.331 20 0 CBADLP COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001183376181 820992286 /nfs/dbraw/zinc/99/22/86/820992286.db2.gz WJIJLJVNASZKLR-TUAOUCFPSA-N 2 2 283.372 -0.358 20 0 CBADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001183376181 820992291 /nfs/dbraw/zinc/99/22/91/820992291.db2.gz WJIJLJVNASZKLR-TUAOUCFPSA-N 2 2 283.372 -0.358 20 0 CBADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@]1(C)C[NH2+]CCO ZINC001183596570 821008711 /nfs/dbraw/zinc/00/87/11/821008711.db2.gz VEWAXYSDTLQSEC-TZMCWYRMSA-N 2 2 280.372 -0.050 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001184710161 821083624 /nfs/dbraw/zinc/08/36/24/821083624.db2.gz SRDKPNXDJJDBSH-NWDGAFQWSA-N 2 2 293.371 -0.402 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC001185243095 821105466 /nfs/dbraw/zinc/10/54/66/821105466.db2.gz BIBHZHKACIXUKM-ZDUSSCGKSA-N 2 2 284.404 -0.977 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC001185243095 821105468 /nfs/dbraw/zinc/10/54/68/821105468.db2.gz BIBHZHKACIXUKM-ZDUSSCGKSA-N 2 2 284.404 -0.977 20 0 CBADLP CN1CC[N@H+](C)C[C@H]1C(=O)NC1C[NH+](C(C)(C)C)C1 ZINC001185270271 821121148 /nfs/dbraw/zinc/12/11/48/821121148.db2.gz XOHXWFVGOLCNAK-LBPRGKRZSA-N 2 2 268.405 -0.169 20 0 CBADLP CN1CC[N@@H+](C)C[C@H]1C(=O)NC1C[NH+](C(C)(C)C)C1 ZINC001185270271 821121151 /nfs/dbraw/zinc/12/11/51/821121151.db2.gz XOHXWFVGOLCNAK-LBPRGKRZSA-N 2 2 268.405 -0.169 20 0 CBADLP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001185960187 821146217 /nfs/dbraw/zinc/14/62/17/821146217.db2.gz UYQJDRWIJBWROK-VXGBXAGGSA-N 2 2 293.371 -0.229 20 0 CBADLP [NH3+]CCN(C(=O)C[N@@H+]1CC[C@H](O)C1)c1cccnc1 ZINC001186054899 821162781 /nfs/dbraw/zinc/16/27/81/821162781.db2.gz JAGWQPGMGPJQJJ-LBPRGKRZSA-N 2 2 264.329 -0.560 20 0 CBADLP [NH3+]CCN(C(=O)C[N@H+]1CC[C@H](O)C1)c1cccnc1 ZINC001186054899 821162785 /nfs/dbraw/zinc/16/27/85/821162785.db2.gz JAGWQPGMGPJQJJ-LBPRGKRZSA-N 2 2 264.329 -0.560 20 0 CBADLP [NH3+]Cc1ccc2c(n1)N(C(=O)C[N@@H+]1CC[C@H](O)C1)CCC2 ZINC001186056319 821165108 /nfs/dbraw/zinc/16/51/08/821165108.db2.gz XQLGXHBPPQNTOP-ZDUSSCGKSA-N 2 2 290.367 -0.114 20 0 CBADLP [NH3+]Cc1ccc2c(n1)N(C(=O)C[N@H+]1CC[C@H](O)C1)CCC2 ZINC001186056319 821165112 /nfs/dbraw/zinc/16/51/12/821165112.db2.gz XQLGXHBPPQNTOP-ZDUSSCGKSA-N 2 2 290.367 -0.114 20 0 CBADLP COC(=O)[C@H]1CC[N@H+](CC(=O)N2CC3(C2)C[NH+](C)C3)C1 ZINC001186107750 821169973 /nfs/dbraw/zinc/16/99/73/821169973.db2.gz QUBAYKBKSGOOOP-NSHDSACASA-N 2 2 281.356 -0.745 20 0 CBADLP COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CC3(C2)C[NH+](C)C3)C1 ZINC001186107750 821169979 /nfs/dbraw/zinc/16/99/79/821169979.db2.gz QUBAYKBKSGOOOP-NSHDSACASA-N 2 2 281.356 -0.745 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H]([NH2+]CCOCCO)C1 ZINC001186575811 821188052 /nfs/dbraw/zinc/18/80/52/821188052.db2.gz DLMPGIOBXCBACM-LLVKDONJSA-N 2 2 282.344 -0.848 20 0 CBADLP CCN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001186575890 821188075 /nfs/dbraw/zinc/18/80/75/821188075.db2.gz HJIBPIRUFMLZKX-LLVKDONJSA-N 2 2 293.371 -0.379 20 0 CBADLP COCCOCC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001186575901 821188398 /nfs/dbraw/zinc/18/83/98/821188398.db2.gz IAEXGAZAKWLDLB-GFCCVEGCSA-N 2 2 296.371 -0.194 20 0 CBADLP NC(=O)C[NH2+][C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001188354604 822332206 /nfs/dbraw/zinc/33/22/06/822332206.db2.gz WHSLJXORQCJSOZ-LLVKDONJSA-N 2 2 279.344 -0.661 20 0 CBADLP COCC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001188368651 822332475 /nfs/dbraw/zinc/33/24/75/822332475.db2.gz IHSXWOJDJBPTGD-LLVKDONJSA-N 2 2 252.318 -0.280 20 0 CBADLP O=C(N[C@H]1C[C@H](C[NH2+]CCO)C1)[C@H]1CCc2c[nH+]cn2C1 ZINC001283052573 828492570 /nfs/dbraw/zinc/49/25/70/828492570.db2.gz WSSKRDAGZKDFJC-AVGNSLFASA-N 2 2 292.383 -0.078 20 0 CBADLP CC[C@H](C(=O)NCCNC(=O)CCc1c[nH]c[nH+]1)[NH+](C)C ZINC001283073460 828494464 /nfs/dbraw/zinc/49/44/64/828494464.db2.gz VGERHOFRMSYEJL-GFCCVEGCSA-N 2 2 295.387 -0.085 20 0 CBADLP CC[C@@H](C(=O)NCCNC(=O)Cc1[nH]cc[nH+]1)[NH+](C)C ZINC001283122691 828497726 /nfs/dbraw/zinc/49/77/26/828497726.db2.gz KRWVTBDTZIIJAN-JTQLQIEISA-N 2 2 281.360 -0.475 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NCCNC(=O)C12CC[NH+](CC1)C2 ZINC001283121826 828497926 /nfs/dbraw/zinc/49/79/26/828497926.db2.gz QYQZGCZYQFIDBR-UHFFFAOYSA-N 2 2 291.355 -0.720 20 0 CBADLP C[C@H](CCC[NH2+][C@H]1CCNC1=O)NC(=O)Cc1[nH]cc[nH+]1 ZINC001283258581 828510719 /nfs/dbraw/zinc/51/07/19/828510719.db2.gz BHVODYJDWFMNEF-MNOVXSKESA-N 2 2 293.371 -0.285 20 0 CBADLP C[C@H](O)C[NH2+][C@@H](C)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001283721728 828535409 /nfs/dbraw/zinc/53/54/09/828535409.db2.gz FAHKFSVRLUEOMC-QWRGUYRKSA-N 2 2 254.334 -0.300 20 0 CBADLP C[C@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+]C[C@H](C)O ZINC001283721727 828535948 /nfs/dbraw/zinc/53/59/48/828535948.db2.gz FAHKFSVRLUEOMC-MNOVXSKESA-N 2 2 254.334 -0.300 20 0 CBADLP CC(C)[NH2+][C@@H](CO)CNC(=O)CCc1c[nH+]cn1C ZINC001283826351 828553301 /nfs/dbraw/zinc/55/33/01/828553301.db2.gz WJRGLUVLSTWNLQ-LLVKDONJSA-N 2 2 268.361 -0.172 20 0 CBADLP CC(C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001192580893 823976806 /nfs/dbraw/zinc/97/68/06/823976806.db2.gz OGMJZFICOKSKJR-GHMZBOCLSA-N 2 2 266.345 -0.088 20 0 CBADLP CC(C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001192580893 823976811 /nfs/dbraw/zinc/97/68/11/823976811.db2.gz OGMJZFICOKSKJR-GHMZBOCLSA-N 2 2 266.345 -0.088 20 0 CBADLP COC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001192580204 823977748 /nfs/dbraw/zinc/97/77/48/823977748.db2.gz ADRGLTWHHZPXBI-QJPTWQEYSA-N 2 2 296.371 -0.462 20 0 CBADLP COC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001192580204 823977754 /nfs/dbraw/zinc/97/77/54/823977754.db2.gz ADRGLTWHHZPXBI-QJPTWQEYSA-N 2 2 296.371 -0.462 20 0 CBADLP CO[C@@H](C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001192640126 823978953 /nfs/dbraw/zinc/97/89/53/823978953.db2.gz QLFITPVUESCSED-QJPTWQEYSA-N 2 2 296.371 -0.462 20 0 CBADLP CO[C@@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001192640126 823978957 /nfs/dbraw/zinc/97/89/57/823978957.db2.gz QLFITPVUESCSED-QJPTWQEYSA-N 2 2 296.371 -0.462 20 0 CBADLP COC[C@@H](O)C[N@H+](C)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001193048001 824000624 /nfs/dbraw/zinc/00/06/24/824000624.db2.gz KLQQYGWQBQLXBU-RYUDHWBXSA-N 2 2 296.371 -0.508 20 0 CBADLP COC[C@@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001193048001 824000629 /nfs/dbraw/zinc/00/06/29/824000629.db2.gz KLQQYGWQBQLXBU-RYUDHWBXSA-N 2 2 296.371 -0.508 20 0 CBADLP CNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001194026714 824057068 /nfs/dbraw/zinc/05/70/68/824057068.db2.gz JLZFVYRKXAPUAB-GFCCVEGCSA-N 2 2 293.371 -0.530 20 0 CBADLP CNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001194026714 824057076 /nfs/dbraw/zinc/05/70/76/824057076.db2.gz JLZFVYRKXAPUAB-GFCCVEGCSA-N 2 2 293.371 -0.530 20 0 CBADLP CC(C)[NH+](C)CC(=O)N1CCC[N@H+]([C@@H](C)C(N)=O)CC1 ZINC001198259492 824223361 /nfs/dbraw/zinc/22/33/61/824223361.db2.gz MZERHGBKUQFQGR-LBPRGKRZSA-N 2 2 284.404 -0.265 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N1CCC[NH+]([C@@H](C)C(N)=O)CC1 ZINC001198259492 824223348 /nfs/dbraw/zinc/22/33/48/824223348.db2.gz MZERHGBKUQFQGR-LBPRGKRZSA-N 2 2 284.404 -0.265 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N1CCC[NH+]([C@@H](C)C(N)=O)CC1 ZINC001198259492 824223351 /nfs/dbraw/zinc/22/33/51/824223351.db2.gz MZERHGBKUQFQGR-LBPRGKRZSA-N 2 2 284.404 -0.265 20 0 CBADLP CC(C)[NH+](C)CC(=O)N1CCC[N@@H+]([C@@H](C)C(N)=O)CC1 ZINC001198259492 824223358 /nfs/dbraw/zinc/22/33/58/824223358.db2.gz MZERHGBKUQFQGR-LBPRGKRZSA-N 2 2 284.404 -0.265 20 0 CBADLP NC(=O)C[N@@H+]1CCCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001198243357 824223761 /nfs/dbraw/zinc/22/37/61/824223761.db2.gz ILWHLIMWKKRLRH-UHFFFAOYSA-N 2 2 296.415 -0.118 20 0 CBADLP NC(=O)C[N@H+]1CCCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001198243357 824223769 /nfs/dbraw/zinc/22/37/69/824223769.db2.gz ILWHLIMWKKRLRH-UHFFFAOYSA-N 2 2 296.415 -0.118 20 0 CBADLP CC(C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001198275991 824224098 /nfs/dbraw/zinc/22/40/98/824224098.db2.gz JRDXCERZTOUFGO-CHWSQXEVSA-N 2 2 280.372 -0.078 20 0 CBADLP CC(C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001198275991 824224105 /nfs/dbraw/zinc/22/41/05/824224105.db2.gz JRDXCERZTOUFGO-CHWSQXEVSA-N 2 2 280.372 -0.078 20 0 CBADLP C[NH+]1CC2(CN(C(=S)NCCC[NH+]3CCOCC3)C2)C1 ZINC001199947659 824296628 /nfs/dbraw/zinc/29/66/28/824296628.db2.gz MKOLJCJLZRKOBE-UHFFFAOYSA-N 2 2 298.456 -0.169 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N1CCCO[C@@H](C[NH2+]CCO)C1 ZINC001201726128 824334985 /nfs/dbraw/zinc/33/49/85/824334985.db2.gz HKBSKLQHZLOTKA-NSHDSACASA-N 2 2 282.344 -0.848 20 0 CBADLP CCNC(=O)C[NH2+]C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001202667349 824350543 /nfs/dbraw/zinc/35/05/43/824350543.db2.gz IUDLMZOSYYCWOM-UHFFFAOYSA-N 2 2 293.371 -0.331 20 0 CBADLP CN(C)C(=O)C[NH+]1CCN(CCC[NH+](C)C)CC1 ZINC001203014752 824356751 /nfs/dbraw/zinc/35/67/51/824356751.db2.gz NUJABIQIWOUXRQ-UHFFFAOYSA-N 2 2 256.394 -0.356 20 0 CBADLP COC[C@H](O)C[NH2+]C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001203052425 824357824 /nfs/dbraw/zinc/35/78/24/824357824.db2.gz OSHZXUVVTCOXLR-GFCCVEGCSA-N 2 2 296.371 -0.460 20 0 CBADLP [NH3+]C[C@]1(O)CCC[N@H+](Cc2cnc3n2CC[NH2+]C3)CC1 ZINC001205256892 824377008 /nfs/dbraw/zinc/37/70/08/824377008.db2.gz RWOMFYGFNQXGLE-AWEZNQCLSA-N 3 2 279.388 -0.338 20 0 CBADLP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2cnc3n2CC[NH2+]C3)CC1 ZINC001205256892 824377013 /nfs/dbraw/zinc/37/70/13/824377013.db2.gz RWOMFYGFNQXGLE-AWEZNQCLSA-N 3 2 279.388 -0.338 20 0 CBADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1O ZINC001205953286 824390572 /nfs/dbraw/zinc/39/05/72/824390572.db2.gz RQOROELZYSCYPK-VXGBXAGGSA-N 2 2 274.328 -0.239 20 0 CBADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1O ZINC001205953286 824390577 /nfs/dbraw/zinc/39/05/77/824390577.db2.gz RQOROELZYSCYPK-VXGBXAGGSA-N 2 2 274.328 -0.239 20 0 CBADLP Nc1ccc2c(c1)[nH]nc2C[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001206491081 824400481 /nfs/dbraw/zinc/40/04/81/824400481.db2.gz GMECIQOQYQSLHX-ISVAXAHUSA-N 2 2 261.329 -0.104 20 0 CBADLP Nc1ccc2c(c1)[nH]nc2C[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001206491081 824400485 /nfs/dbraw/zinc/40/04/85/824400485.db2.gz GMECIQOQYQSLHX-ISVAXAHUSA-N 2 2 261.329 -0.104 20 0 CBADLP CCOC(=O)c1cc(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c[nH]1 ZINC001206480635 824400862 /nfs/dbraw/zinc/40/08/62/824400862.db2.gz GJYDFUUNRCJZMS-CMPLNLGQSA-N 2 2 267.329 -0.057 20 0 CBADLP CCOC(=O)c1cc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c[nH]1 ZINC001206480635 824400866 /nfs/dbraw/zinc/40/08/66/824400866.db2.gz GJYDFUUNRCJZMS-CMPLNLGQSA-N 2 2 267.329 -0.057 20 0 CBADLP C[C@@H]([NH2+]CC1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1)C(N)=O ZINC001206684141 824405232 /nfs/dbraw/zinc/40/52/32/824405232.db2.gz VYGREBIVOSYDQA-SNVBAGLBSA-N 2 2 293.371 -0.346 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CCC(C[NH2+]CC(N)=O)CC1 ZINC001206872930 824407658 /nfs/dbraw/zinc/40/76/58/824407658.db2.gz YNTYFXDRSBAHHO-UHFFFAOYSA-N 2 2 293.371 -0.724 20 0 CBADLP COC(=O)[C@@H]1CN(C)CC[N@@H+]1CC1CC[NH2+]CC1 ZINC001207441417 824428151 /nfs/dbraw/zinc/42/81/51/824428151.db2.gz BBGXJEAGNPSFST-LBPRGKRZSA-N 2 2 255.362 -0.225 20 0 CBADLP COC(=O)[C@@H]1CN(C)CC[N@H+]1CC1CC[NH2+]CC1 ZINC001207441417 824428153 /nfs/dbraw/zinc/42/81/53/824428153.db2.gz BBGXJEAGNPSFST-LBPRGKRZSA-N 2 2 255.362 -0.225 20 0 CBADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CC(N)=O)C[C@H]1C ZINC001207757435 824437971 /nfs/dbraw/zinc/43/79/71/824437971.db2.gz CAMBYJHDWULIIE-GHMZBOCLSA-N 2 2 284.404 -0.362 20 0 CBADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CC(N)=O)C[C@H]1C ZINC001207757435 824437975 /nfs/dbraw/zinc/43/79/75/824437975.db2.gz CAMBYJHDWULIIE-GHMZBOCLSA-N 2 2 284.404 -0.362 20 0 CBADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C ZINC001207757435 824437978 /nfs/dbraw/zinc/43/79/78/824437978.db2.gz CAMBYJHDWULIIE-GHMZBOCLSA-N 2 2 284.404 -0.362 20 0 CBADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C ZINC001207757435 824437980 /nfs/dbraw/zinc/43/79/80/824437980.db2.gz CAMBYJHDWULIIE-GHMZBOCLSA-N 2 2 284.404 -0.362 20 0 CBADLP COC(=O)[C@@H]1C[N@H+](C)CCN1Cc1c[nH+]ccc1N ZINC001209733407 824474658 /nfs/dbraw/zinc/47/46/58/824474658.db2.gz WCINQYRACZUOIY-LBPRGKRZSA-N 2 2 264.329 -0.217 20 0 CBADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1Cc1c[nH+]ccc1N ZINC001209733407 824474662 /nfs/dbraw/zinc/47/46/62/824474662.db2.gz WCINQYRACZUOIY-LBPRGKRZSA-N 2 2 264.329 -0.217 20 0 CBADLP COC(=O)[C@H]1C[N@H+](C)CCN1Cc1c[nH+]ccc1N ZINC001209733405 824474988 /nfs/dbraw/zinc/47/49/88/824474988.db2.gz WCINQYRACZUOIY-GFCCVEGCSA-N 2 2 264.329 -0.217 20 0 CBADLP COC(=O)[C@H]1C[N@@H+](C)CCN1Cc1c[nH+]ccc1N ZINC001209733405 824474992 /nfs/dbraw/zinc/47/49/92/824474992.db2.gz WCINQYRACZUOIY-GFCCVEGCSA-N 2 2 264.329 -0.217 20 0 CBADLP [NH3+][C@H](Cc1ccccc1)C[N@H+]1C[C@H](CO)[C@H](O)C1 ZINC001209846886 824476341 /nfs/dbraw/zinc/47/63/41/824476341.db2.gz XDNHYPAIAMJYMA-MGPQQGTHSA-N 2 2 250.342 -0.159 20 0 CBADLP [NH3+][C@H](Cc1ccccc1)C[N@@H+]1C[C@H](CO)[C@H](O)C1 ZINC001209846886 824476343 /nfs/dbraw/zinc/47/63/43/824476343.db2.gz XDNHYPAIAMJYMA-MGPQQGTHSA-N 2 2 250.342 -0.159 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001209838380 824476358 /nfs/dbraw/zinc/47/63/58/824476358.db2.gz XNSDDIIYFVOBRL-QWRGUYRKSA-N 2 2 293.371 -0.333 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001215680687 824543503 /nfs/dbraw/zinc/54/35/03/824543503.db2.gz IXYCHYVYRKALPB-CKYFFXLPSA-N 2 2 293.371 -0.477 20 0 CBADLP COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001215680522 824543981 /nfs/dbraw/zinc/54/39/81/824543981.db2.gz AAVFTTWEJDVLEW-KGYLQXTDSA-N 2 2 296.371 -0.604 20 0 CBADLP COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001217005558 824550148 /nfs/dbraw/zinc/55/01/48/824550148.db2.gz KHLCPPDKEANPMQ-FRRDWIJNSA-N 2 2 296.371 -0.673 20 0 CBADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1nnc(C2CC2)o1 ZINC001217693268 824558542 /nfs/dbraw/zinc/55/85/42/824558542.db2.gz JRQVQVDZPRGSPD-VIFPVBQESA-N 2 2 276.300 -0.144 20 0 CBADLP CC(C)(C)c1nnc(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])o1 ZINC001218507552 824574379 /nfs/dbraw/zinc/57/43/79/824574379.db2.gz DWUBSNQDLXNGAG-BQBZGAKWSA-N 2 2 253.306 -0.148 20 0 CBADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1n[nH]cc1Br ZINC001218508445 824574875 /nfs/dbraw/zinc/57/48/75/824574875.db2.gz JTCTZBRYUDNRDE-YFKPBYRVSA-N 2 2 262.111 -0.213 20 0 CBADLP COC(=O)c1ccc(NC(=O)C2([NH3+])CC[NH2+]CC2)cn1 ZINC001218509038 824575344 /nfs/dbraw/zinc/57/53/44/824575344.db2.gz GCVAZCRAXRTRKL-UHFFFAOYSA-N 2 2 278.312 -0.112 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2nnc(-c3ccco3)o2)C1 ZINC001218525841 824582754 /nfs/dbraw/zinc/58/27/54/824582754.db2.gz GTLJTXZLGWOYQC-RQJHMYQMSA-N 2 2 263.257 -0.043 20 0 CBADLP CCOC(=O)c1cc[nH]c1NC(=O)[C@@H]([NH3+])CC[NH3+] ZINC001218541156 824586495 /nfs/dbraw/zinc/58/64/95/824586495.db2.gz ODHZXRODURNURA-QMMMGPOBSA-N 2 2 254.290 -0.194 20 0 CBADLP CCOC(=O)c1cc[nH]c1NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001218542147 824586916 /nfs/dbraw/zinc/58/69/16/824586916.db2.gz UZEKQABDMRKIDK-APPZFPTMSA-N 2 2 266.301 -0.181 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1ncccc1N ZINC001218538914 824587029 /nfs/dbraw/zinc/58/70/29/824587029.db2.gz UOOIOAONNBEWOE-JTQLQIEISA-N 2 2 260.301 -0.094 20 0 CBADLP Nc1nonc1NC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001218542829 824589218 /nfs/dbraw/zinc/58/92/18/824589218.db2.gz ONWVEKIWNGCTGP-MRVPVSSYSA-N 2 2 262.273 -0.137 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2ccc(N3CCOCC3)nc2)C1 ZINC001218552017 824589602 /nfs/dbraw/zinc/58/96/02/824589602.db2.gz XHVVOGDDLQGHGK-PWSUYJOCSA-N 2 2 291.355 -0.454 20 0 CBADLP CCOC(=O)c1n[nH]cc1NC(=O)[C@@H]([NH3+])CC[NH3+] ZINC001218553316 824589885 /nfs/dbraw/zinc/58/98/85/824589885.db2.gz APUQAYUARBWCCH-LURJTMIESA-N 2 2 255.278 -0.799 20 0 CBADLP Cc1nc(NC(=O)C2([NH3+])CC[NH2+]CC2)cc(=O)[nH]1 ZINC001218563644 824593232 /nfs/dbraw/zinc/59/32/32/824593232.db2.gz BCEYNZQAHZPTRW-UHFFFAOYSA-N 2 2 251.290 -0.490 20 0 CBADLP N=c1c(N)c(Cl)ccn1C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001218566308 824594488 /nfs/dbraw/zinc/59/44/88/824594488.db2.gz FBVUMWSJUUUYSU-FSPLSTOPSA-N 2 2 255.709 -0.610 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cncnc1Br ZINC001218569771 824594995 /nfs/dbraw/zinc/59/49/95/824594995.db2.gz BPWGGRWJBILYPE-WDSKDSINSA-N 2 2 286.133 -0.276 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2cncnc2Br)C1 ZINC001218570916 824595946 /nfs/dbraw/zinc/59/59/46/824595946.db2.gz RJLIQQGJOODSIH-RITPCOANSA-N 2 2 286.133 -0.133 20 0 CBADLP COC(=O)c1cc(C)cnc1NC(=O)[C@@H]([NH3+])CC[NH3+] ZINC001218577994 824598035 /nfs/dbraw/zinc/59/80/35/824598035.db2.gz BYAXAUMILRNTJJ-VIFPVBQESA-N 2 2 266.301 -0.209 20 0 CBADLP Cn1cc(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])c(C(F)(F)F)n1 ZINC001218599311 824601929 /nfs/dbraw/zinc/60/19/29/824601929.db2.gz VAFGMTIQAHOHII-WDSKDSINSA-N 2 2 277.250 -0.076 20 0 CBADLP O=C(CN1CC[NH2+]CC1)Nc1cc[nH+]c2c1CCC2 ZINC001218619524 824605042 /nfs/dbraw/zinc/60/50/42/824605042.db2.gz CDULCEYKWKYKEY-UHFFFAOYSA-N 2 2 260.341 -0.164 20 0 CBADLP O=C(Nc1cc[nH+]c2c1CCC2)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001218620285 824605828 /nfs/dbraw/zinc/60/58/28/824605828.db2.gz JYWWDYVNRMARPJ-ZUZCIYMTSA-N 2 2 272.352 -0.118 20 0 CBADLP CN(C(=O)C[NH2+]C1CC[NH2+]CC1)c1nccnc1N ZINC001218624020 824607693 /nfs/dbraw/zinc/60/76/93/824607693.db2.gz VJMPHKQNWPTDPQ-UHFFFAOYSA-N 2 2 264.333 -0.637 20 0 CBADLP O=C(C[NH2+]C1CC[NH2+]CC1)Nc1cnn(C2C[NH2+]C2)c1 ZINC001218639845 824612699 /nfs/dbraw/zinc/61/26/99/824612699.db2.gz DQPNDMACJDCCPO-UHFFFAOYSA-N 3 2 278.360 -0.693 20 0 CBADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cnn(C2C[NH2+]C2)c1 ZINC001218640161 824612797 /nfs/dbraw/zinc/61/27/97/824612797.db2.gz KFAIHEJSJZRVJU-LLVKDONJSA-N 3 2 275.316 -0.741 20 0 CBADLP COC(=O)c1n[nH]c(C)c1NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001218639513 824612849 /nfs/dbraw/zinc/61/28/49/824612849.db2.gz GMBQBAXCEUCXOE-RBDZCENOSA-N 2 2 293.327 -0.335 20 0 CBADLP COc1ncnc(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)c1OC ZINC001218653473 824617255 /nfs/dbraw/zinc/61/72/55/824617255.db2.gz STRWEQCANIDOIW-RBDZCENOSA-N 2 2 293.327 -0.346 20 0 CBADLP Nc1cnc(Cl)c(NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)n1 ZINC001218671402 824619451 /nfs/dbraw/zinc/61/94/51/824619451.db2.gz JUVBBUOYITXVLY-ZCFIWIBFSA-N 2 2 281.707 -0.056 20 0 CBADLP COC[C@@H](C)Oc1cc(NC(=O)[C@@H]([NH3+])CC[NH3+])[nH]n1 ZINC001218719524 824629016 /nfs/dbraw/zinc/62/90/16/824629016.db2.gz PWXKZPIXISHWIO-SFYZADRCSA-N 2 2 271.321 -0.562 20 0 CBADLP CCN=c1ccc(N)cn1C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001218740999 824630775 /nfs/dbraw/zinc/63/07/75/824630775.db2.gz GTDAITSQFOIQFL-GYSYKLTISA-N 2 2 275.356 -0.147 20 0 CBADLP CCc1cc2ncc(NC(=O)[C@@H]([NH3+])CC[NH3+])cn2n1 ZINC001218734453 824630878 /nfs/dbraw/zinc/63/08/78/824630878.db2.gz WRCPHEIRUIRGLC-JTQLQIEISA-N 2 2 262.317 -0.094 20 0 CBADLP Cc1cc(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)n(CCF)n1 ZINC001218742688 824631819 /nfs/dbraw/zinc/63/18/19/824631819.db2.gz BBLAIVRUUPFPRG-BDAKNGLRSA-N 2 2 255.297 -0.211 20 0 CBADLP CN(C)c1cc(NC(=O)C[NH2+]C2CC[NH2+]CC2)[nH]n1 ZINC001218743884 824633715 /nfs/dbraw/zinc/63/37/15/824633715.db2.gz ZRSUBBHWUJWJRA-UHFFFAOYSA-N 2 2 266.349 -0.244 20 0 CBADLP Nc1cnc(N(C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])C2CCCC2)nc1 ZINC001218755209 824634946 /nfs/dbraw/zinc/63/49/46/824634946.db2.gz USXSXKVICIPPDB-RYUDHWBXSA-N 2 2 290.371 -0.119 20 0 CBADLP COc1nc(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)c(C)c(OC)n1 ZINC001218768019 824636643 /nfs/dbraw/zinc/63/66/43/824636643.db2.gz GKBSMRMLMTVMEG-SFYZADRCSA-N 2 2 281.316 -0.570 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2ccnn2Br)C1 ZINC001218771917 824637936 /nfs/dbraw/zinc/63/79/36/824637936.db2.gz HVKOPAUGPNXNCD-RITPCOANSA-N 2 2 274.122 -0.331 20 0 CBADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1cnc(-n2nccn2)c(Cl)c1 ZINC001218805437 824640723 /nfs/dbraw/zinc/64/07/23/824640723.db2.gz WSIZMQZPOIJOHU-VIFPVBQESA-N 2 2 295.734 -0.070 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2ccc3c(c2)C(=O)NCCO3)C1 ZINC001218817360 824641445 /nfs/dbraw/zinc/64/14/45/824641445.db2.gz VNAVDCRPSPFBEZ-KCJUWKMLSA-N 2 2 290.323 -0.564 20 0 CBADLP COCCOc1cc(NC(=O)[C@@H]([NH3+])CC[NH3+])ccn1 ZINC001218807392 824641961 /nfs/dbraw/zinc/64/19/61/824641961.db2.gz VAYXQOZOODNYBL-JTQLQIEISA-N 2 2 268.317 -0.279 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccccc1-c1nn[nH]n1 ZINC001218854889 824643362 /nfs/dbraw/zinc/64/33/62/824643362.db2.gz DBLYVWQHMVAMMB-IUCAKERBSA-N 2 2 273.300 -0.648 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2ccc(Cn3cncn3)cc2)C1 ZINC001218836844 824643429 /nfs/dbraw/zinc/64/34/29/824643429.db2.gz PWHWIWDRNOXOLV-YPMHNXCESA-N 2 2 286.339 -0.046 20 0 CBADLP Nc1ccc(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)c(CCO)c1 ZINC001218920268 824648493 /nfs/dbraw/zinc/64/84/93/824648493.db2.gz WQNDGTUSOQJVOX-PWSUYJOCSA-N 2 2 264.329 -0.569 20 0 CBADLP NC(=O)Cc1cccc(NC(=O)C[NH2+]C2CC[NH2+]CC2)c1 ZINC001218955185 824649579 /nfs/dbraw/zinc/64/95/79/824649579.db2.gz SKXSXGDHQHBZQO-UHFFFAOYSA-N 2 2 290.367 -0.006 20 0 CBADLP CN(C)C(=O)Cc1ccccc1NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001218954814 824650211 /nfs/dbraw/zinc/65/02/11/824650211.db2.gz TVRHDAQLDGIPHL-YPMHNXCESA-N 2 2 290.367 -0.055 20 0 CBADLP NC(=S)c1cccc(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)c1 ZINC001218968944 824651013 /nfs/dbraw/zinc/65/10/13/824651013.db2.gz VTQBRIOZVUMLAC-SCZZXKLOSA-N 2 2 264.354 -0.052 20 0 CBADLP COC(=O)c1c(O)cccc1NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001218987020 824651536 /nfs/dbraw/zinc/65/15/36/824651536.db2.gz AMCKNQOBBFTOCG-APPZFPTMSA-N 2 2 279.296 -0.194 20 0 CBADLP N=c1c2cc(N)ccc2on1C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001219138241 824666698 /nfs/dbraw/zinc/66/66/98/824666698.db2.gz AFWXTJGDVXIISD-IUCAKERBSA-N 2 2 261.285 -0.517 20 0 CBADLP CN1c2ccc(NC(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])cc2CNC1=O ZINC001219336977 824693714 /nfs/dbraw/zinc/69/37/14/824693714.db2.gz UGJXTBSWGYDZSD-QWRGUYRKSA-N 2 2 289.339 -0.169 20 0 CBADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)Nc1ccc(C[NH3+])cc1 ZINC001219349562 824694970 /nfs/dbraw/zinc/69/49/70/824694970.db2.gz OTTOGRDWFMOVLQ-CQSZACIVSA-N 3 2 291.399 -0.166 20 0 CBADLP CC(C)OCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219357853 824697338 /nfs/dbraw/zinc/69/73/38/824697338.db2.gz NIONDAJMDFQUPK-MCIONIFRSA-N 2 2 299.415 -0.333 20 0 CBADLP CC(C)OCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219357853 824697342 /nfs/dbraw/zinc/69/73/42/824697342.db2.gz NIONDAJMDFQUPK-MCIONIFRSA-N 2 2 299.415 -0.333 20 0 CBADLP CC(C)OCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001219357853 824697345 /nfs/dbraw/zinc/69/73/45/824697345.db2.gz NIONDAJMDFQUPK-MCIONIFRSA-N 2 2 299.415 -0.333 20 0 CBADLP CC(C)OCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001219357853 824697347 /nfs/dbraw/zinc/69/73/47/824697347.db2.gz NIONDAJMDFQUPK-MCIONIFRSA-N 2 2 299.415 -0.333 20 0 CBADLP NC(=O)c1cc(O)cc(NC(=O)[C@@H]([NH3+])CC[NH3+])c1 ZINC001219441509 824711041 /nfs/dbraw/zinc/71/10/41/824711041.db2.gz HXAVXLLSUXLNAZ-VIFPVBQESA-N 2 2 252.274 -0.894 20 0 CBADLP CO[C@@H](C)C[N@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001219543705 824725612 /nfs/dbraw/zinc/72/56/12/824725612.db2.gz QLFITPVUESCSED-TUAOUCFPSA-N 2 2 296.371 -0.462 20 0 CBADLP CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001219543705 824725619 /nfs/dbraw/zinc/72/56/19/824725619.db2.gz QLFITPVUESCSED-TUAOUCFPSA-N 2 2 296.371 -0.462 20 0 CBADLP CC(C)OCCNC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001219558355 824728904 /nfs/dbraw/zinc/72/89/04/824728904.db2.gz OGHHKZYOVGUWMH-NSHDSACASA-N 2 2 254.334 -0.169 20 0 CBADLP Cc1cccnc1CNC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001219563710 824731012 /nfs/dbraw/zinc/73/10/12/824731012.db2.gz JAAGKKWCZOALMH-FZMZJTMJSA-N 2 2 260.341 -0.042 20 0 CBADLP COC(=O)[C@@H]([NH3+])CCC(=O)NCCn1cc[nH+]c1 ZINC001219563677 824731483 /nfs/dbraw/zinc/73/14/83/824731483.db2.gz HKGGNYHKYJPKHY-VIFPVBQESA-N 2 2 254.290 -0.720 20 0 CBADLP C[C@H]1CC[C@H](NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)C[NH2+]1 ZINC001219585188 824736374 /nfs/dbraw/zinc/73/63/74/824736374.db2.gz YXFJNZNJMMCWFD-ONYIWYLUSA-N 3 2 252.362 -0.535 20 0 CBADLP COC(=O)[C@H]1C[C@H](C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)CC[NH2+]1 ZINC001219584772 824736409 /nfs/dbraw/zinc/73/64/09/824736409.db2.gz FPWALZHIEQAFHN-WHOHXGKFSA-N 2 2 283.372 -0.216 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)CC[NH2+]1 ZINC001219584769 824736644 /nfs/dbraw/zinc/73/66/44/824736644.db2.gz FPWALZHIEQAFHN-BJDJZHNGSA-N 2 2 283.372 -0.216 20 0 CBADLP Cc1cnc(CCNC(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)nc1 ZINC001219600697 824740282 /nfs/dbraw/zinc/74/02/82/824740282.db2.gz CZJIEVWOFQLWAI-BXUZGUMPSA-N 2 2 275.356 -0.605 20 0 CBADLP Cc1cnc(CCNC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)nc1 ZINC001219600725 824741619 /nfs/dbraw/zinc/74/16/19/824741619.db2.gz DKCGUDRTKXRKCK-NSHDSACASA-N 2 2 274.328 -0.263 20 0 CBADLP Cc1cnc(CCNC(=O)C2([NH3+])CC[NH2+]CC2)nc1 ZINC001219601857 824742151 /nfs/dbraw/zinc/74/21/51/824742151.db2.gz YHJVYDQMDLKFOQ-UHFFFAOYSA-N 2 2 263.345 -0.475 20 0 CBADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)NC[C@@H](O)c1ccco1 ZINC001219604745 824850031 /nfs/dbraw/zinc/85/00/31/824850031.db2.gz YIYMCIJXTGDUCW-NWDGAFQWSA-N 2 2 296.371 -0.820 20 0 CBADLP Cc1cc(CNC(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)no1 ZINC001219604711 824850611 /nfs/dbraw/zinc/85/06/11/824850611.db2.gz XETYMVIJRWKRPX-NSHDSACASA-N 2 2 263.301 -0.097 20 0 CBADLP CS(=O)(=O)CCNC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001219607950 824851941 /nfs/dbraw/zinc/85/19/41/824851941.db2.gz IVUSTPQIOSBVTH-NSHDSACASA-N 2 2 285.369 -0.581 20 0 CBADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219608088 824853482 /nfs/dbraw/zinc/85/34/82/824853482.db2.gz OOMGWLOMNBQYDF-PSASIEDQSA-N 3 2 291.277 -0.310 20 0 CBADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N[C@@]2(C(F)(F)F)CC[NH2+]C2)C1 ZINC001219614319 824854367 /nfs/dbraw/zinc/85/43/67/824854367.db2.gz WZXDHNKKBUNVSU-ZKWXMUAHSA-N 3 2 266.267 -0.914 20 0 CBADLP O=C(N[C@]1(C(F)(F)F)CC[NH2+]C1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001219610607 824855232 /nfs/dbraw/zinc/85/52/32/824855232.db2.gz PNBIBOXFNMYZGU-GDPRMGEGSA-N 3 2 292.305 -0.652 20 0 CBADLP C[NH2+][C@@H](CCCC[NH3+])C(=O)NCCc1cn(C)c[nH+]1 ZINC001219632863 824865156 /nfs/dbraw/zinc/86/51/56/824865156.db2.gz RVAGTXUGJQCRBF-LBPRGKRZSA-N 3 2 267.377 -0.204 20 0 CBADLP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)NCCc1cn(C)c[nH+]1 ZINC001219634074 824868869 /nfs/dbraw/zinc/86/88/69/824868869.db2.gz MMSCBJDBKZMCQZ-LBPRGKRZSA-N 2 2 295.387 -0.432 20 0 CBADLP C[C@H]1C[NH2+]C[C@H](CNC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)C1 ZINC001219642039 824869734 /nfs/dbraw/zinc/86/97/34/824869734.db2.gz OKUYFGHHKFTTLZ-NAWOPXAZSA-N 3 2 266.389 -0.702 20 0 CBADLP COC(=O)c1csc(CNC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)n1 ZINC001219667269 824876476 /nfs/dbraw/zinc/87/64/76/824876476.db2.gz WCTOWEPRGGUKLX-RQJHMYQMSA-N 2 2 284.341 -0.765 20 0 CBADLP C[C@@H]1C[C@@H](CNC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)C[NH2+]1 ZINC001219684492 824878998 /nfs/dbraw/zinc/87/89/98/824878998.db2.gz OKNVPYVTCDYIIB-KKZNHRDASA-N 3 2 251.334 -0.606 20 0 CBADLP Cc1ccc2c(c1)[C@@H](NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)C(=O)N2 ZINC001219687379 824880014 /nfs/dbraw/zinc/88/00/14/824880014.db2.gz NMVUWNGQOBZPQX-JFUSQASVSA-N 2 2 274.324 -0.206 20 0 CBADLP C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CC[NH2+]C[C@H]2F)C1 ZINC001219695226 824880836 /nfs/dbraw/zinc/88/08/36/824880836.db2.gz RSOLTECMXOHWJP-GMTAPVOTSA-N 2 2 259.325 -0.619 20 0 CBADLP C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CC[NH2+]C[C@H]2F)C1 ZINC001219695226 824880845 /nfs/dbraw/zinc/88/08/45/824880845.db2.gz RSOLTECMXOHWJP-GMTAPVOTSA-N 2 2 259.325 -0.619 20 0 CBADLP CN(C(=O)CCNC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2)C1CC1 ZINC001219693455 824881002 /nfs/dbraw/zinc/88/10/02/824881002.db2.gz YHYYXQZHXCTRLM-IINYFYTJSA-N 2 2 280.372 -0.935 20 0 CBADLP C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]([NH3+])C2CCC(O)CC2)C1 ZINC001219694462 824881810 /nfs/dbraw/zinc/88/18/10/824881810.db2.gz JBQCUIGPHIROIF-TYUFSLCMSA-N 2 2 285.388 -0.688 20 0 CBADLP C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]([NH3+])C2CCC(O)CC2)C1 ZINC001219694462 824881815 /nfs/dbraw/zinc/88/18/15/824881815.db2.gz JBQCUIGPHIROIF-TYUFSLCMSA-N 2 2 285.388 -0.688 20 0 CBADLP Cn1cccc1CNC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001219698896 824883470 /nfs/dbraw/zinc/88/34/70/824883470.db2.gz IZAXNILIKLAWSE-LBPRGKRZSA-N 2 2 261.329 -0.055 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NCc1ccc2c(c1)CC[NH2+]C2 ZINC001219705287 824883837 /nfs/dbraw/zinc/88/38/37/824883837.db2.gz HCOUXSIQTGINKX-KBPBESRZSA-N 3 2 274.368 -0.505 20 0 CBADLP O=C(NC[C@]1(F)CCC[NH2+]C1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001219768413 824891187 /nfs/dbraw/zinc/89/11/87/824891187.db2.gz MMHXHGFIGFPXNK-DRZSPHRISA-N 3 2 270.352 -0.854 20 0 CBADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001219800939 824896165 /nfs/dbraw/zinc/89/61/65/824896165.db2.gz PDUXSADUYVEPDP-ZYHUDNBSSA-N 3 2 293.371 -0.836 20 0 CBADLP CC(C)OC(=O)[C@H](C)NC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001219881143 824907035 /nfs/dbraw/zinc/90/70/35/824907035.db2.gz RFPRKOAHGLMENY-OUJBWJOFSA-N 2 2 269.345 -0.606 20 0 CBADLP CCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@@H](O)C1 ZINC001219879134 824908260 /nfs/dbraw/zinc/90/82/60/824908260.db2.gz CHGAXCABDGXCHL-MCIONIFRSA-N 2 2 299.415 -0.332 20 0 CBADLP CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@@H](O)C1 ZINC001219879134 824908268 /nfs/dbraw/zinc/90/82/68/824908268.db2.gz CHGAXCABDGXCHL-MCIONIFRSA-N 2 2 299.415 -0.332 20 0 CBADLP CCOCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)[C@@H](O)C1 ZINC001219879134 824908273 /nfs/dbraw/zinc/90/82/73/824908273.db2.gz CHGAXCABDGXCHL-MCIONIFRSA-N 2 2 299.415 -0.332 20 0 CBADLP CCOCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)[C@@H](O)C1 ZINC001219879134 824908280 /nfs/dbraw/zinc/90/82/80/824908280.db2.gz CHGAXCABDGXCHL-MCIONIFRSA-N 2 2 299.415 -0.332 20 0 CBADLP CC(C)OC(=O)[C@H](C)NC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001219881142 824908500 /nfs/dbraw/zinc/90/85/00/824908500.db2.gz RFPRKOAHGLMENY-OPQQBVKSSA-N 2 2 269.345 -0.606 20 0 CBADLP C[NH+](C)Cc1cccc(CNC(=O)[C@H]2C[NH2+]C[C@@H]2O)c1 ZINC001219943615 824918384 /nfs/dbraw/zinc/91/83/84/824918384.db2.gz QZELLHJONZDOCX-KBPBESRZSA-N 2 2 277.368 -0.055 20 0 CBADLP Cc1cc(CNC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)[nH]n1 ZINC001219943614 824918754 /nfs/dbraw/zinc/91/87/54/824918754.db2.gz QXHNQDLHADINHF-LBPRGKRZSA-N 2 2 280.376 -0.915 20 0 CBADLP Cc1cc(CNC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)n[nH]1 ZINC001219943614 824918759 /nfs/dbraw/zinc/91/87/59/824918759.db2.gz QXHNQDLHADINHF-LBPRGKRZSA-N 2 2 280.376 -0.915 20 0 CBADLP Cc1c[nH]c(CCNC(=O)C[C@H]2COCC[NH2+]2)[nH+]1 ZINC001219952684 824920029 /nfs/dbraw/zinc/92/00/29/824920029.db2.gz ZVAFGIIVQIRYRH-JTQLQIEISA-N 2 2 252.318 -0.245 20 0 CBADLP CCCCOC(=O)[C@H](C)NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001220049473 824945356 /nfs/dbraw/zinc/94/53/56/824945356.db2.gz JQNVMYHUVPOFSM-AEJSXWLSSA-N 2 2 257.334 -0.476 20 0 CBADLP C[NH+]1CC(NC(=O)[C@@H]2CO[C@]3(C2)CCC[NH2+]CC3)C1 ZINC001220013213 824934497 /nfs/dbraw/zinc/93/44/97/824934497.db2.gz LCLXFKJFNJNPLE-SMDDNHRTSA-N 2 2 267.373 -0.035 20 0 CBADLP CC(=O)N[C@@H](CCCC[NH3+])C(=O)NC1C[NH+](C)C1 ZINC001220013079 824934729 /nfs/dbraw/zinc/93/47/29/824934729.db2.gz HZGXCUKAVWIYPV-NSHDSACASA-N 2 2 256.350 -0.950 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NCc1cnc2[nH]ccc2c1 ZINC001220013323 824935300 /nfs/dbraw/zinc/93/53/00/824935300.db2.gz QVGBNYYEGAIASL-QWRGUYRKSA-N 2 2 259.313 -0.274 20 0 CBADLP N=c1sc2c(n1C(=O)[C@@H]1COCC[NH2+]1)CC[C@H]([NH3+])C2 ZINC001220025815 824937780 /nfs/dbraw/zinc/93/77/80/824937780.db2.gz XWXRIDYPEQNLDJ-YUMQZZPRSA-N 2 2 282.369 -0.526 20 0 CBADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)N[C@@H]2CCC(=O)NC2=O)cc1 ZINC001220031555 824939798 /nfs/dbraw/zinc/93/97/98/824939798.db2.gz XKPRYNLXOZUZOL-GHMZBOCLSA-N 2 2 290.323 -0.820 20 0 CBADLP [NH3+]C1(C(=O)NCc2ccncc2F)CC[NH2+]CC1 ZINC001220038211 824940215 /nfs/dbraw/zinc/94/02/15/824940215.db2.gz STQHPDMMXGOFOB-UHFFFAOYSA-N 2 2 252.293 -0.082 20 0 CBADLP COC(=O)C1(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)CCCC1 ZINC001220048665 824943243 /nfs/dbraw/zinc/94/32/43/824943243.db2.gz UJNUADXMDDLLLS-BDAKNGLRSA-N 2 2 255.318 -0.722 20 0 CBADLP COC(=O)C1(NC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)CCCC1 ZINC001220048708 824943454 /nfs/dbraw/zinc/94/34/54/824943454.db2.gz VIGDWJHWUFYTMD-GARJFASQSA-N 2 2 281.356 -0.462 20 0 CBADLP COC(=O)CCCCCNC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220048592 824944228 /nfs/dbraw/zinc/94/42/28/824944228.db2.gz QIQXAIHMUYXWIL-SMDDNHRTSA-N 2 2 283.372 -0.213 20 0 CBADLP COC(=O)CCCCCNC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001220048771 824944406 /nfs/dbraw/zinc/94/44/06/824944406.db2.gz WCMDCMIQTQKTQI-ZJUUUORDSA-N 2 2 257.334 -0.475 20 0 CBADLP COCC1(NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)CCC1 ZINC001220064123 824949262 /nfs/dbraw/zinc/94/92/62/824949262.db2.gz RRESEELAPVXKQS-SNVBAGLBSA-N 2 2 252.318 -0.035 20 0 CBADLP Cc1[nH+]c(N)ccc1CNC(=O)C[NH2+]CCC[NH3+] ZINC001220071480 824949987 /nfs/dbraw/zinc/94/99/87/824949987.db2.gz FRJDZCFLDBPNAW-UHFFFAOYSA-N 3 2 251.334 -0.473 20 0 CBADLP Cc1nc(N)ccc1CNC(=O)C[NH2+]CCC[NH3+] ZINC001220071480 824949992 /nfs/dbraw/zinc/94/99/92/824949992.db2.gz FRJDZCFLDBPNAW-UHFFFAOYSA-N 2 2 251.334 -0.473 20 0 CBADLP CSCC[C@@H](NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)C(C)(C)O ZINC001220145761 824968102 /nfs/dbraw/zinc/96/81/02/824968102.db2.gz PAXVAYIHVIKYAZ-KXUCPTDWSA-N 2 2 275.418 -0.316 20 0 CBADLP O=C(NC[C@@H](O)c1ccc(O)cc1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220113497 824958241 /nfs/dbraw/zinc/95/82/41/824958241.db2.gz VPFLQTIJLOGVPD-SCUASFONSA-N 2 2 291.351 -0.508 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NC[C@H](O)c1ccc(O)cc1 ZINC001220115409 824959205 /nfs/dbraw/zinc/95/92/05/824959205.db2.gz NDBLJUCHPNLIFM-SRVKXCTJSA-N 2 2 265.313 -0.912 20 0 CBADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)NCc1cc[nH]c(=O)c1 ZINC001220148193 824969226 /nfs/dbraw/zinc/96/92/26/824969226.db2.gz PRJSEPLAGNLLDX-GFCCVEGCSA-N 2 2 293.371 -0.846 20 0 CBADLP N=C(NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1)c1nccs1 ZINC001220154690 824971536 /nfs/dbraw/zinc/97/15/36/824971536.db2.gz WOBAHIOZKXVVST-SSDOTTSWSA-N 2 2 264.314 -0.122 20 0 CBADLP C[N@@H+]1CCC[C@H](NC(=O)[C@H]([NH3+])Cc2c[nH]cn2)C1 ZINC001220156864 824972544 /nfs/dbraw/zinc/97/25/44/824972544.db2.gz NYDNKIJJWDVILF-GXSJLCMTSA-N 2 2 251.334 -0.510 20 0 CBADLP C[N@H+]1CCC[C@H](NC(=O)[C@H]([NH3+])Cc2c[nH]cn2)C1 ZINC001220156864 824972548 /nfs/dbraw/zinc/97/25/48/824972548.db2.gz NYDNKIJJWDVILF-GXSJLCMTSA-N 2 2 251.334 -0.510 20 0 CBADLP C[N@@H+]1CCC[C@H](NC(=O)[C@H]([NH3+])Cc2cnc[nH]2)C1 ZINC001220156864 824972550 /nfs/dbraw/zinc/97/25/50/824972550.db2.gz NYDNKIJJWDVILF-GXSJLCMTSA-N 2 2 251.334 -0.510 20 0 CBADLP C[N@H+]1CCC[C@H](NC(=O)[C@H]([NH3+])Cc2cnc[nH]2)C1 ZINC001220156864 824972552 /nfs/dbraw/zinc/97/25/52/824972552.db2.gz NYDNKIJJWDVILF-GXSJLCMTSA-N 2 2 251.334 -0.510 20 0 CBADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)NC2(C[NH3+])COC2)cc1 ZINC001220156644 824972567 /nfs/dbraw/zinc/97/25/67/824972567.db2.gz FBMLTSKTANAOMV-NSHDSACASA-N 3 2 264.329 -0.897 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001220163643 824974322 /nfs/dbraw/zinc/97/43/22/824974322.db2.gz SKJCOAOHZFSJSD-ZJQBRPOHSA-N 3 2 266.389 -0.428 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N[C@@H]2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC001220161581 824974380 /nfs/dbraw/zinc/97/43/80/824974380.db2.gz DHKMWSDXOKYIHI-NMKXLXIOSA-N 3 2 266.389 -0.286 20 0 CBADLP O=C(N[C@H]1CCC[C@@]2(CC[NH2+]C2)C1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220163379 824974655 /nfs/dbraw/zinc/97/46/55/824974655.db2.gz QFLBUBFJIFHSCU-GRYWWWGRSA-N 3 2 292.427 -0.025 20 0 CBADLP O=C(N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220161397 824974809 /nfs/dbraw/zinc/97/48/09/824974809.db2.gz CGJAHHJFMBABAZ-LQKXBSAESA-N 3 2 292.427 -0.024 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N[C@H]2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC001220161584 824974906 /nfs/dbraw/zinc/97/49/06/824974906.db2.gz DHKMWSDXOKYIHI-OWTLIXCDSA-N 3 2 266.389 -0.286 20 0 CBADLP CCC1(CNC(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)COC1 ZINC001220170985 824976166 /nfs/dbraw/zinc/97/61/66/824976166.db2.gz ZXXWKTKNZGYNAI-GWCFXTLKSA-N 2 2 253.346 -0.519 20 0 CBADLP Cc1ncc(CNC(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)cn1 ZINC001220176635 824977689 /nfs/dbraw/zinc/97/76/89/824977689.db2.gz IYTVJMJTHBKAMI-DGCLKSJQSA-N 2 2 261.329 -0.647 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NC(=N)c1ncc[nH]1 ZINC001220181283 824979296 /nfs/dbraw/zinc/97/92/96/824979296.db2.gz IDMAKIPZUWUSGH-QMMMGPOBSA-N 2 2 261.289 -0.845 20 0 CBADLP Cn1ccc(CNC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)cc1=O ZINC001220179463 824979419 /nfs/dbraw/zinc/97/94/19/824979419.db2.gz LLIXIKCBHOJFMV-NSHDSACASA-N 2 2 275.312 -0.705 20 0 CBADLP [NH3+][C@@H](C(=O)NC[C@@H]1CC[NH2+]CC1(F)F)C1CC[NH2+]CC1 ZINC001220187155 824982507 /nfs/dbraw/zinc/98/25/07/824982507.db2.gz ZQMAXRBLGSBCOE-WDEREUQCSA-N 3 2 290.358 -0.326 20 0 CBADLP C[S@](=O)CC[C@H]([NH3+])C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC001220185144 824983336 /nfs/dbraw/zinc/98/33/36/824983336.db2.gz AKQGHLKHLQDTQO-MGOSUKFUSA-N 2 2 297.371 -0.557 20 0 CBADLP C[S@@](=O)CC[C@H]([NH3+])C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC001220185143 824983653 /nfs/dbraw/zinc/98/36/53/824983653.db2.gz AKQGHLKHLQDTQO-BLBZPCKPSA-N 2 2 297.371 -0.557 20 0 CBADLP COC(=O)[C@@H]([NH3+])CCC(=O)NCC1([NH+]2CCCC2)COC1 ZINC001220197519 824984867 /nfs/dbraw/zinc/98/48/67/824984867.db2.gz HZVJJPGLAGIIEQ-NSHDSACASA-N 2 2 299.371 -0.752 20 0 CBADLP COCCC[NH+]1CCC(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])CC1 ZINC001220200100 824984940 /nfs/dbraw/zinc/98/49/40/824984940.db2.gz AKQZWKZFAMSOBS-STQMWFEESA-N 3 2 284.404 -0.850 20 0 CBADLP C[NH2+][C@@H](CCCC[NH3+])C(=O)NCC1([NH+]2CCCC2)COC1 ZINC001220197491 824985195 /nfs/dbraw/zinc/98/51/95/824985195.db2.gz GINNRUXLDXMORY-ZDUSSCGKSA-N 3 2 298.431 -0.316 20 0 CBADLP CC(C)(C)[C@H](CO)NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220216875 824987281 /nfs/dbraw/zinc/98/72/81/824987281.db2.gz CFMNOWWTSSUAHF-MMWGEVLESA-N 2 2 255.362 -0.541 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NC1(c2cccnn2)CC1 ZINC001220209958 824987703 /nfs/dbraw/zinc/98/77/03/824987703.db2.gz LARINXNKMUDTCZ-NSHDSACASA-N 2 2 286.339 -0.115 20 0 CBADLP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220221020 824989823 /nfs/dbraw/zinc/98/98/23/824989823.db2.gz OAHYIIWSXBPNCG-ABHRYQDASA-N 3 2 280.416 -0.073 20 0 CBADLP C[C@@H](CCCC(C)(C)O)NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001220243440 824992798 /nfs/dbraw/zinc/99/27/98/824992798.db2.gz SQGMTWYGFPHWPS-DCAQKATOSA-N 2 2 257.378 -0.021 20 0 CBADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NCCc1cnccn1 ZINC001220243683 824992901 /nfs/dbraw/zinc/99/29/01/824992901.db2.gz WNUBBGURBPFVKL-LLVKDONJSA-N 2 2 260.301 -0.572 20 0 CBADLP C[C@H](CCCC(C)(C)O)NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001220243442 824993124 /nfs/dbraw/zinc/99/31/24/824993124.db2.gz SQGMTWYGFPHWPS-VWYCJHECSA-N 2 2 257.378 -0.021 20 0 CBADLP C[NH+](C)CC(C)(C)CNC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001220254203 824995700 /nfs/dbraw/zinc/99/57/00/824995700.db2.gz MUTZXBPHMIEQNI-UHFFFAOYSA-N 3 2 256.394 -0.229 20 0 CBADLP O=C(N[C@@H]1CCc2n[nH]cc2C1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220260908 824997624 /nfs/dbraw/zinc/99/76/24/824997624.db2.gz KECNENMCPGKWFX-JULQROHOSA-N 2 2 275.356 -0.667 20 0 CBADLP Cc1[nH+]c[nH]c1CSCCNC(=O)C[C@H](O)C[NH3+] ZINC001220257408 824998786 /nfs/dbraw/zinc/99/87/86/824998786.db2.gz YASZFTWARNCHFN-VIFPVBQESA-N 2 2 272.374 -0.223 20 0 CBADLP Cc1cc(C[N@H+]2C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C2)on1 ZINC001220271983 825000472 /nfs/dbraw/zinc/00/04/72/825000472.db2.gz NSZNCYKCPNPUPN-OLZOCXBDSA-N 2 2 296.371 -0.404 20 0 CBADLP Cc1cc(C[N@@H+]2C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C2)on1 ZINC001220271983 825000481 /nfs/dbraw/zinc/00/04/81/825000481.db2.gz NSZNCYKCPNPUPN-OLZOCXBDSA-N 2 2 296.371 -0.404 20 0 CBADLP CC1(C)OCC(NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)CO1 ZINC001220270884 825000945 /nfs/dbraw/zinc/00/09/45/825000945.db2.gz KUAYWMZMEWZKKN-SNVBAGLBSA-N 2 2 268.317 -0.453 20 0 CBADLP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N[C@@H](CO)Cc1c[nH]c[nH+]1 ZINC001220291038 825007508 /nfs/dbraw/zinc/00/75/08/825007508.db2.gz KNWRVIMVFZWCIY-OLZOCXBDSA-N 3 2 297.403 -0.512 20 0 CBADLP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N[C@@H](CO)Cc1c[nH+]c[nH]1 ZINC001220291038 825007513 /nfs/dbraw/zinc/00/75/13/825007513.db2.gz KNWRVIMVFZWCIY-OLZOCXBDSA-N 3 2 297.403 -0.512 20 0 CBADLP C[C@]1(C(=O)N[C@@H](CO)Cc2c[nH]c[nH+]2)CCC[NH2+]1 ZINC001220292107 825007922 /nfs/dbraw/zinc/00/79/22/825007922.db2.gz ZPQZPWZHCUMKLL-ZYHUDNBSSA-N 2 2 252.318 -0.429 20 0 CBADLP C[C@]1(C(=O)N[C@@H](CO)Cc2c[nH+]c[nH]2)CCC[NH2+]1 ZINC001220292107 825007925 /nfs/dbraw/zinc/00/79/25/825007925.db2.gz ZPQZPWZHCUMKLL-ZYHUDNBSSA-N 2 2 252.318 -0.429 20 0 CBADLP C[C@@H]1CC[NH2+][C@@H](C(=O)N[C@@H](CO)Cc2c[nH]c[nH+]2)C1 ZINC001220292060 825008181 /nfs/dbraw/zinc/00/81/81/825008181.db2.gz ZKLWJKZBJSDADP-YUSALJHKSA-N 2 2 266.345 -0.183 20 0 CBADLP C[C@@H]1CC[NH2+][C@@H](C(=O)N[C@@H](CO)Cc2c[nH+]c[nH]2)C1 ZINC001220292060 825008188 /nfs/dbraw/zinc/00/81/88/825008188.db2.gz ZKLWJKZBJSDADP-YUSALJHKSA-N 2 2 266.345 -0.183 20 0 CBADLP C[C@@H](NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1)c1cnn(C)c1 ZINC001220309385 825011579 /nfs/dbraw/zinc/01/15/79/825011579.db2.gz XNZXNWHAPGXYOL-LDYMZIIASA-N 2 2 262.317 -0.110 20 0 CBADLP C[C@@H](NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)c1cnn(C)c1 ZINC001220309383 825011941 /nfs/dbraw/zinc/01/19/41/825011941.db2.gz XNZXNWHAPGXYOL-KCJUWKMLSA-N 2 2 262.317 -0.110 20 0 CBADLP C[C@@H](NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)c1cnn(C)c1 ZINC001220309141 825012164 /nfs/dbraw/zinc/01/21/64/825012164.db2.gz UVOFEJMVLZGRMA-LLHIFLOGSA-N 2 2 263.345 -0.453 20 0 CBADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220316894 825013452 /nfs/dbraw/zinc/01/34/52/825013452.db2.gz UMJBYDSKNMAEMN-SCRDCRAPSA-N 3 2 293.371 -0.693 20 0 CBADLP O=C(N[C@H]1CC12CCOCC2)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220329284 825016669 /nfs/dbraw/zinc/01/66/69/825016669.db2.gz LDEXCXULVYNGKI-YFKTTZPYSA-N 2 2 265.357 -0.378 20 0 CBADLP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H]([NH3+])CC[NH3+] ZINC001220332629 825016694 /nfs/dbraw/zinc/01/66/94/825016694.db2.gz NUSZOIDNLHYNNN-NEPJUHHUSA-N 3 2 256.394 -0.101 20 0 CBADLP COC(=O)[C@@H]1CC[C@H](NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)C1 ZINC001220405792 825031921 /nfs/dbraw/zinc/03/19/21/825031921.db2.gz DDKIQXAYZHJQBJ-UKRLYRRISA-N 2 2 281.356 -0.334 20 0 CBADLP CCOC(=O)c1cccc(CNC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)n1 ZINC001220403321 825031941 /nfs/dbraw/zinc/03/19/41/825031941.db2.gz NOLQMJAWIDWTTN-SKDRFNHKSA-N 2 2 292.339 -0.436 20 0 CBADLP COC(=O)[C@@H]1CC[C@H](NC(=O)C2([NH3+])CC[NH2+]CC2)C1 ZINC001220406744 825032687 /nfs/dbraw/zinc/03/26/87/825032687.db2.gz WIDPNXHWBSNUSE-ZJUUUORDSA-N 2 2 269.345 -0.475 20 0 CBADLP NC[C@H]([NH3+])c1ccc(C(=O)NC[C@@H]2COCC[NH2+]2)cc1 ZINC001220431589 825038224 /nfs/dbraw/zinc/03/82/24/825038224.db2.gz KKWXIHNTPVWRNA-OLZOCXBDSA-N 2 2 278.356 -0.637 20 0 CBADLP C[C@H](CC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)n1cc[nH+]c1 ZINC001220441540 825038951 /nfs/dbraw/zinc/03/89/51/825038951.db2.gz FVDPUFJESRPFMO-UPJWGTAASA-N 2 2 296.371 -0.622 20 0 CBADLP C[C@H](CC(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1O)n1cc[nH+]c1 ZINC001220441540 825038940 /nfs/dbraw/zinc/03/89/40/825038940.db2.gz FVDPUFJESRPFMO-UPJWGTAASA-N 2 2 296.371 -0.622 20 0 CBADLP [NH3+]C1(C(=O)N[C@H](CO)C(F)(F)F)CC[NH2+]CC1 ZINC001220447074 825041493 /nfs/dbraw/zinc/04/14/93/825041493.db2.gz CFLLHZYFCLBNKP-ZCFIWIBFSA-N 2 2 255.240 -0.893 20 0 CBADLP COCCOc1ccc(CNC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)cn1 ZINC001220458636 825043578 /nfs/dbraw/zinc/04/35/78/825043578.db2.gz YKQSDWNNIKVOKK-NEPJUHHUSA-N 2 2 294.355 -0.588 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCC(=O)Cc2ccccc2)C1 ZINC001220462590 825044371 /nfs/dbraw/zinc/04/43/71/825044371.db2.gz HPVMQMIENDMLJT-YPMHNXCESA-N 2 2 261.325 -0.396 20 0 CBADLP O=C(NC[C@H](O)C1CCCCC1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220467069 825045231 /nfs/dbraw/zinc/04/52/31/825045231.db2.gz LVVKBZIMAOLWLB-VNHYZAJKSA-N 2 2 281.400 -0.005 20 0 CBADLP [NH3+]C1(CNC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)CCCC1 ZINC001220497413 825049593 /nfs/dbraw/zinc/04/95/93/825049593.db2.gz WCEDKDKFUVHQCK-GARJFASQSA-N 3 2 252.362 -0.676 20 0 CBADLP [NH3+]C1(CNC(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)CCCC1 ZINC001220494544 825050324 /nfs/dbraw/zinc/05/03/24/825050324.db2.gz MVFVKHGWNXIONB-GWCFXTLKSA-N 3 2 252.362 -0.674 20 0 CBADLP [NH3+]C1(CNC(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)CCCC1 ZINC001220494545 825050351 /nfs/dbraw/zinc/05/03/51/825050351.db2.gz MVFVKHGWNXIONB-GXFFZTMASA-N 3 2 252.362 -0.674 20 0 CBADLP O=C(NCc1nccc(Cl)n1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220529573 825058850 /nfs/dbraw/zinc/05/88/50/825058850.db2.gz FDBQYHCUWBKSEN-PELKAZGASA-N 2 2 281.747 -0.302 20 0 CBADLP O=C(NCc1cccc2ccnn21)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220553092 825060832 /nfs/dbraw/zinc/06/08/32/825060832.db2.gz GCTVSLYEWDULTL-LEWSCRJBSA-N 2 2 285.351 -0.100 20 0 CBADLP C[C@H]1COCC[C@H]1NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220564955 825063085 /nfs/dbraw/zinc/06/30/85/825063085.db2.gz IBQRLRIGFIWBMV-HHHUOAJASA-N 2 2 253.346 -0.523 20 0 CBADLP C[C@@H]1COCC[C@H]1NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220565986 825063684 /nfs/dbraw/zinc/06/36/84/825063684.db2.gz WMTFJVDDQGIFGS-FBIMIBRVSA-N 2 2 252.318 -0.179 20 0 CBADLP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC[NH+]1CC2(COC2)C1 ZINC001220570924 825064645 /nfs/dbraw/zinc/06/46/45/825064645.db2.gz DIRHGWVABPSAPC-NSHDSACASA-N 2 2 285.388 -0.423 20 0 CBADLP C[C@H]1CC[NH2+][C@@H](C(=O)NCC[NH+]2CC3(COC3)C2)C1 ZINC001220571698 825065819 /nfs/dbraw/zinc/06/58/19/825065819.db2.gz XKAHVTSRGFICNF-NWDGAFQWSA-N 2 2 267.373 -0.177 20 0 CBADLP [NH3+]C1(C(=O)N[C@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC[NH2+]CC1 ZINC001220681159 825084147 /nfs/dbraw/zinc/08/41/47/825084147.db2.gz XQJWXDAKJJOJQW-GDNZZTSVSA-N 3 2 266.389 -0.143 20 0 CBADLP O=C(N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220678868 825085563 /nfs/dbraw/zinc/08/55/63/825085563.db2.gz OPNRWLBMLFKNHY-RLPMIEJPSA-N 3 2 278.400 -0.273 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NCC1Oc2ccccc2O1 ZINC001220708919 825088776 /nfs/dbraw/zinc/08/87/76/825088776.db2.gz LRVHEOQHPUNYQT-IUCAKERBSA-N 2 2 263.297 -0.553 20 0 CBADLP Nc1ncc(CCNC(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)s1 ZINC001220704261 825089482 /nfs/dbraw/zinc/08/94/82/825089482.db2.gz MSYNAXDCRAXDCL-PRHODGIISA-N 2 2 281.385 -0.665 20 0 CBADLP C[C@](CO)(NC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2)c1ccccc1 ZINC001220711722 825091082 /nfs/dbraw/zinc/09/10/82/825091082.db2.gz RRZRQSKHZXARFY-NUEKZKHPSA-N 2 2 289.379 -0.038 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001220725236 825093191 /nfs/dbraw/zinc/09/31/91/825093191.db2.gz OQPQMKFAOFXUKC-WCQYABFASA-N 3 2 284.404 -0.850 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001220725236 825093199 /nfs/dbraw/zinc/09/31/99/825093199.db2.gz OQPQMKFAOFXUKC-WCQYABFASA-N 3 2 284.404 -0.850 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220725455 825094302 /nfs/dbraw/zinc/09/43/02/825094302.db2.gz RUOXGOSFWJGYCE-NEPJUHHUSA-N 3 2 272.393 -0.720 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220725455 825094309 /nfs/dbraw/zinc/09/43/09/825094309.db2.gz RUOXGOSFWJGYCE-NEPJUHHUSA-N 3 2 272.393 -0.720 20 0 CBADLP CC1(C)[C@H](O)C[C@H]1NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220766185 825100034 /nfs/dbraw/zinc/10/00/34/825100034.db2.gz NGSJIMZFKVJEDJ-IVZWLZJFSA-N 2 2 252.318 -0.445 20 0 CBADLP [NH3+][C@@]12CC[C@@](NC(=O)[C@]34C[NH2+]C[C@H]3CC[NH2+]4)(C1)CCC2 ZINC001220777513 825100771 /nfs/dbraw/zinc/10/07/71/825100771.db2.gz UCEMYCHZFSVUSV-BEAPCOKYSA-N 3 2 278.400 -0.142 20 0 CBADLP COC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001220799600 825103480 /nfs/dbraw/zinc/10/34/80/825103480.db2.gz DEWONZFHDGOZJB-BIIVOSGPSA-N 2 2 297.277 -0.467 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N[C@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001220802943 825104696 /nfs/dbraw/zinc/10/46/96/825104696.db2.gz AJMFLVTVLCATRW-JBDRJPRFSA-N 3 2 280.294 -0.810 20 0 CBADLP O=C(NCCN1CCC(F)(F)C1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220808716 825105528 /nfs/dbraw/zinc/10/55/28/825105528.db2.gz VLDJZWZCOWWRIT-ZWNOBZJWSA-N 2 2 288.342 -0.605 20 0 CBADLP O=C(NCCN1CCC(F)(F)C1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220808713 825105765 /nfs/dbraw/zinc/10/57/65/825105765.db2.gz VLDJZWZCOWWRIT-GWCFXTLKSA-N 2 2 288.342 -0.605 20 0 CBADLP CCOc1cc(CNC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])ccc1O ZINC001220816335 825106410 /nfs/dbraw/zinc/10/64/10/825106410.db2.gz ISQLCONGNCCNOP-QWRGUYRKSA-N 2 2 279.340 -0.046 20 0 CBADLP CCOC(=O)[C@H](C)CNC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001220848783 825111075 /nfs/dbraw/zinc/11/10/75/825111075.db2.gz IWIIKPRRFGOYOP-PRFIWBCESA-N 2 2 269.345 -0.476 20 0 CBADLP [NH3+]Cc1ccccc1CNC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220855102 825113766 /nfs/dbraw/zinc/11/37/66/825113766.db2.gz LXVOXAPXAOWTOR-ZFWWWQNUSA-N 3 2 274.368 -0.287 20 0 CBADLP COc1cncc(CNC(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)c1 ZINC001220871304 825117168 /nfs/dbraw/zinc/11/71/68/825117168.db2.gz ZMMYXYRZFDEGBQ-FZMZJTMJSA-N 2 2 276.340 -0.342 20 0 CBADLP COc1cncc(CNC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])c1 ZINC001220872154 825117202 /nfs/dbraw/zinc/11/72/02/825117202.db2.gz MHAKNGBPAKXOJD-QWRGUYRKSA-N 2 2 250.302 -0.747 20 0 CBADLP COC(=O)[C@H]1C[C@@H]1CNC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001220881311 825118933 /nfs/dbraw/zinc/11/89/33/825118933.db2.gz IHJMUTWLOLMYGK-MGWGEXEUSA-N 2 2 267.329 -0.867 20 0 CBADLP COC(=O)[C@@H]1C[C@@H]1CNC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001220881309 825119037 /nfs/dbraw/zinc/11/90/37/825119037.db2.gz IHJMUTWLOLMYGK-ACDNLYMZSA-N 2 2 267.329 -0.867 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@H+](CCCF)C[C@@H]1O ZINC001220882096 825120184 /nfs/dbraw/zinc/12/01/84/825120184.db2.gz MMIYGPBBOJVJOK-OLZOCXBDSA-N 2 2 298.362 -0.126 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@@H+](CCCF)C[C@@H]1O ZINC001220882096 825120189 /nfs/dbraw/zinc/12/01/89/825120189.db2.gz MMIYGPBBOJVJOK-OLZOCXBDSA-N 2 2 298.362 -0.126 20 0 CBADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)NCCO[C@H]2CC[NH2+]C2)cc1 ZINC001220939827 825127903 /nfs/dbraw/zinc/12/79/03/825127903.db2.gz XNRRWBYINGBTNM-UONOGXRCSA-N 3 2 292.383 -0.247 20 0 CBADLP CC1(C)C[C@H](CNC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])CCO1 ZINC001220953000 825128893 /nfs/dbraw/zinc/12/88/93/825128893.db2.gz JYXYFTOYCAACEH-VWYCJHECSA-N 2 2 255.362 -0.146 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NCc1cnn(CC(F)(F)F)c1 ZINC001220972549 825129522 /nfs/dbraw/zinc/12/95/22/825129522.db2.gz HPQAVZKVGVKAOZ-IUCAKERBSA-N 2 2 291.277 -0.392 20 0 CBADLP O=C(NCC1(c2cnccn2)CC1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220993037 825133749 /nfs/dbraw/zinc/13/37/49/825133749.db2.gz YUCSDNXBLXIQSM-ABAIWWIYSA-N 2 2 287.367 -0.424 20 0 CBADLP CC(=O)OC[C@H]([NH3+])C(=O)NCc1[nH+]cn2ccccc12 ZINC001221007878 825135363 /nfs/dbraw/zinc/13/53/63/825135363.db2.gz GPIDZTUJRVIKQO-JTQLQIEISA-N 2 2 276.296 -0.159 20 0 CBADLP COc1cc(C)[nH]c(=O)c1CNC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001221015330 825136720 /nfs/dbraw/zinc/13/67/20/825136720.db2.gz DOTBABDHVUBHDU-SCZZXKLOSA-N 2 2 280.328 -0.590 20 0 CBADLP COC[C@@H](NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)C1CC1 ZINC001221013096 825137381 /nfs/dbraw/zinc/13/73/81/825137381.db2.gz KPWUNGCJXMLLRL-NNYUYHANSA-N 2 2 253.346 -0.523 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N[C@H]2CC[C@H]([NH+]3CCOCC3)CC2)C1 ZINC001221056217 825139624 /nfs/dbraw/zinc/13/96/24/825139624.db2.gz JSEOHBIPNGTEBW-SYQHCUMBSA-N 3 2 296.415 -0.565 20 0 CBADLP O=C(NC1(c2cnccn2)CC1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001221082460 825141576 /nfs/dbraw/zinc/14/15/76/825141576.db2.gz UYNUMEQTWCMXEA-GARJFASQSA-N 2 2 273.340 -0.468 20 0 CBADLP Cc1nccnc1CNC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001221104260 825142736 /nfs/dbraw/zinc/14/27/36/825142736.db2.gz ZYCWUCGLCYOVJT-ZWNOBZJWSA-N 2 2 261.329 -0.647 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCc2ccnn2CCF)C1 ZINC001221107911 825144789 /nfs/dbraw/zinc/14/47/89/825144789.db2.gz LWIXKZKVPCUSEB-SCZZXKLOSA-N 2 2 255.297 -0.842 20 0 CBADLP [NH3+]C1(C(=O)NCc2ccnn2CCF)CC[NH2+]CC1 ZINC001221107559 825145690 /nfs/dbraw/zinc/14/56/90/825145690.db2.gz FOBIODCDDHEXTH-UHFFFAOYSA-N 2 2 269.324 -0.450 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCc2cc(OCC3CC3)ncn2)C1 ZINC001221157850 825148357 /nfs/dbraw/zinc/14/83/57/825148357.db2.gz PSTHBWUWJBKOJT-PWSUYJOCSA-N 2 2 291.355 -0.429 20 0 CBADLP COCC1(CNC(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)CCOCC1 ZINC001221176764 825149732 /nfs/dbraw/zinc/14/97/32/825149732.db2.gz MAOXBQVALAYYAK-DOMZBBRYSA-N 2 2 297.399 -0.503 20 0 CBADLP COCC1(CNC(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)CCOCC1 ZINC001221176766 825150405 /nfs/dbraw/zinc/15/04/05/825150405.db2.gz MAOXBQVALAYYAK-SWLSCSKDSA-N 2 2 297.399 -0.503 20 0 CBADLP Cc1cccc([C@@H](CO)NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)c1 ZINC001221193668 825152937 /nfs/dbraw/zinc/15/29/37/825152937.db2.gz DPMYSMWJRHZOGN-FRRDWIJNSA-N 2 2 263.341 -0.166 20 0 CBADLP CC(C)(C)[NH+]1CC(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001221195744 825154696 /nfs/dbraw/zinc/15/46/96/825154696.db2.gz FUQQZYPPMHKEIN-CYBMUJFWSA-N 3 2 297.447 -0.664 20 0 CBADLP CCCC[C@H](NC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C)C(N)=O ZINC001221234708 825156865 /nfs/dbraw/zinc/15/68/65/825156865.db2.gz KDFVQTZMNQSFJR-QWRGUYRKSA-N 2 2 281.360 -0.550 20 0 CBADLP C[N@@H+]1CCC[C@@](C)(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)C1 ZINC001221241067 825158864 /nfs/dbraw/zinc/15/88/64/825158864.db2.gz MXVWQWCULAAJRX-OXHZDVMGSA-N 3 2 266.389 -0.191 20 0 CBADLP C[N@H+]1CCC[C@@](C)(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)C1 ZINC001221241067 825158869 /nfs/dbraw/zinc/15/88/69/825158869.db2.gz MXVWQWCULAAJRX-OXHZDVMGSA-N 3 2 266.389 -0.191 20 0 CBADLP C[N@@H+]1CCC[C@](C)(NC(=O)[C@H](N)C[NH+]2CCC([NH3+])CC2)C1 ZINC001221243745 825161002 /nfs/dbraw/zinc/16/10/02/825161002.db2.gz MGLGPWIEKITUKQ-HIFRSBDPSA-N 3 2 297.447 -0.663 20 0 CBADLP C[N@H+]1CCC[C@](C)(NC(=O)[C@H](N)C[NH+]2CCC([NH3+])CC2)C1 ZINC001221243745 825161007 /nfs/dbraw/zinc/16/10/07/825161007.db2.gz MGLGPWIEKITUKQ-HIFRSBDPSA-N 3 2 297.447 -0.663 20 0 CBADLP O=C(NC[C@]1(CC2CC2)CCC[NH2+]1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001221246340 825161803 /nfs/dbraw/zinc/16/18/03/825161803.db2.gz YFYIXSWZXVLPAN-FVQBIDKESA-N 3 2 292.427 -0.024 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NC[C@@H]1c2ccccc2NC1=O ZINC001221311699 825169087 /nfs/dbraw/zinc/16/90/87/825169087.db2.gz HPDJALOEYBRIPV-VWYCJHECSA-N 2 2 274.324 -0.615 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NC[C@@H]2c3ccccc3NC2=O)C1 ZINC001221309640 825169279 /nfs/dbraw/zinc/16/92/79/825169279.db2.gz UELYEYFPPPWLHG-UISBYWKRSA-N 2 2 274.324 -0.472 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCCNC(=O)c2cccs2)C1 ZINC001221309223 825169330 /nfs/dbraw/zinc/16/93/30/825169330.db2.gz LOLDACZHOSLPKV-BDAKNGLRSA-N 2 2 282.369 -0.717 20 0 CBADLP [NH3+]C1(C(=O)NC[C@@H]2c3ccccc3NC2=O)CC[NH2+]CC1 ZINC001221309174 825169585 /nfs/dbraw/zinc/16/95/85/825169585.db2.gz JWVWWRFHIXWYPL-LLVKDONJSA-N 2 2 288.351 -0.081 20 0 CBADLP O=C(N[C@H]1CCC[C@H]1CO)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001221309014 825170090 /nfs/dbraw/zinc/17/00/90/825170090.db2.gz DVORIGVJVSKNQM-UHFZAUJKSA-N 2 2 253.346 -0.787 20 0 CBADLP Cc1cnc(NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)c(=O)[nH]1 ZINC001221328176 825170959 /nfs/dbraw/zinc/17/09/59/825170959.db2.gz JOQNBZUOAGYGCX-MRVPVSSYSA-N 2 2 262.273 -0.690 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NCc1ccc(-n2ccnn2)cc1 ZINC001221340620 825175124 /nfs/dbraw/zinc/17/51/24/825175124.db2.gz ZDVLSDJQEBJQFF-STQMWFEESA-N 2 2 286.339 -0.570 20 0 CBADLP COC1CC(CNC(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)C1 ZINC001221368778 825177427 /nfs/dbraw/zinc/17/74/27/825177427.db2.gz ZOOZIZYZXJNLIF-JJGGINFWSA-N 2 2 253.346 -0.521 20 0 CBADLP CC1(C)C(=O)NC[C@@H]1NC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001221368562 825177733 /nfs/dbraw/zinc/17/77/33/825177733.db2.gz GISKKWZHBHIHGD-RYUDHWBXSA-N 2 2 290.367 -0.101 20 0 CBADLP O=C(NC[C@@H](CO)c1ccccc1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001221376709 825179012 /nfs/dbraw/zinc/17/90/12/825179012.db2.gz GLDDLQFDQMQDQF-ZQDZILKHSA-N 2 2 289.379 -0.171 20 0 CBADLP NC1=CC=C(C2CCN(C(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])CC2)[NH2+]C1 ZINC001221392406 825180274 /nfs/dbraw/zinc/18/02/74/825180274.db2.gz LQCNMMHQXIUHGX-STQMWFEESA-N 3 2 291.399 -0.899 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCc2ccc3oc(=O)[nH]c3c2)C1 ZINC001221385294 825180438 /nfs/dbraw/zinc/18/04/38/825180438.db2.gz NHYIVBBKRWXGEH-SCZZXKLOSA-N 2 2 276.296 -0.161 20 0 CBADLP O=C(NCCOc1cc[nH+]cc1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001221393667 825181588 /nfs/dbraw/zinc/18/15/88/825181588.db2.gz LOOMRZDSXUFUAZ-IUODEOHRSA-N 3 2 290.367 -0.224 20 0 CBADLP C[NH+](C)CC1CCC(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)CC1 ZINC001221403496 825182671 /nfs/dbraw/zinc/18/26/71/825182671.db2.gz UIKGTCPVZWKWLG-KPFVRQRISA-N 3 2 268.405 -0.088 20 0 CBADLP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)[C@H](C)C1 ZINC001221407239 825184577 /nfs/dbraw/zinc/18/45/77/825184577.db2.gz KPSIWTRPNFBCER-VWYCJHECSA-N 2 2 295.391 -0.696 20 0 CBADLP CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)[C@H](C)C1 ZINC001221407239 825184581 /nfs/dbraw/zinc/18/45/81/825184581.db2.gz KPSIWTRPNFBCER-VWYCJHECSA-N 2 2 295.391 -0.696 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N[C@H](C2CCC2)C2C[NH2+]C2)C1 ZINC001221411415 825186743 /nfs/dbraw/zinc/18/67/43/825186743.db2.gz WBYZVHCCHPMEAU-GRYCIOLGSA-N 3 2 252.362 -0.820 20 0 CBADLP CC[NH+](CC)CC(=O)N1C[C@H]2CC[N@@H+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001221883847 825197525 /nfs/dbraw/zinc/19/75/25/825197525.db2.gz WZLKWALOBBKSDH-YNEHKIRRSA-N 2 2 296.415 -0.265 20 0 CBADLP CC[NH+](CC)CC(=O)N1C[C@H]2CC[N@H+]([C@@H](C)C(N)=O)C[C@H]21 ZINC001221883847 825197528 /nfs/dbraw/zinc/19/75/28/825197528.db2.gz WZLKWALOBBKSDH-YNEHKIRRSA-N 2 2 296.415 -0.265 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001222049941 825199867 /nfs/dbraw/zinc/19/98/67/825199867.db2.gz PABRVYVVJKMYSI-CHWSQXEVSA-N 2 2 296.415 -0.395 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001222049941 825199868 /nfs/dbraw/zinc/19/98/68/825199868.db2.gz PABRVYVVJKMYSI-CHWSQXEVSA-N 2 2 296.415 -0.395 20 0 CBADLP CNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)[C@@H]2C1 ZINC001222049941 825199870 /nfs/dbraw/zinc/19/98/70/825199870.db2.gz PABRVYVVJKMYSI-CHWSQXEVSA-N 2 2 296.415 -0.395 20 0 CBADLP CNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C1 ZINC001222049941 825199873 /nfs/dbraw/zinc/19/98/73/825199873.db2.gz PABRVYVVJKMYSI-CHWSQXEVSA-N 2 2 296.415 -0.395 20 0 CBADLP NC(=O)C[NH2+][C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001222088542 825201313 /nfs/dbraw/zinc/20/13/13/825201313.db2.gz VXWSCFDTGITGOC-GFCCVEGCSA-N 2 2 293.371 -0.271 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001222097869 825202023 /nfs/dbraw/zinc/20/20/23/825202023.db2.gz IBMBDKAAMUYAFS-VXGBXAGGSA-N 2 2 293.371 -0.402 20 0 CBADLP Cc1[nH]c(=O)[nH]c(=O)c1C[N@@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222497557 825212626 /nfs/dbraw/zinc/21/26/26/825212626.db2.gz PKKAJEQSQFVRAN-RYUDHWBXSA-N 2 2 293.371 -0.278 20 0 CBADLP Cc1[nH]c(=O)[nH]c(=O)c1C[N@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222497557 825212633 /nfs/dbraw/zinc/21/26/33/825212633.db2.gz PKKAJEQSQFVRAN-RYUDHWBXSA-N 2 2 293.371 -0.278 20 0 CBADLP O=C1CC[C@H](C[N@@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)N1 ZINC001222492194 825212897 /nfs/dbraw/zinc/21/28/97/825212897.db2.gz QKCBAZHTMXMGRX-WOPDTQHZSA-N 2 2 252.362 -0.709 20 0 CBADLP O=C1CC[C@H](C[N@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)N1 ZINC001222492194 825212903 /nfs/dbraw/zinc/21/29/03/825212903.db2.gz QKCBAZHTMXMGRX-WOPDTQHZSA-N 2 2 252.362 -0.709 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NCC1CC[NH+](CC(N)=O)CC1 ZINC001223831315 825232810 /nfs/dbraw/zinc/23/28/10/825232810.db2.gz FBSWWKQAGXHHMZ-UHFFFAOYSA-N 2 2 293.371 -0.495 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)OCCN1CC[NH+](C)CC1 ZINC001224553362 825242452 /nfs/dbraw/zinc/24/24/52/825242452.db2.gz YKIIBAVVLLBGCO-AWEZNQCLSA-N 2 2 271.405 -0.029 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CCC(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001224673096 825245813 /nfs/dbraw/zinc/24/58/13/825245813.db2.gz RPVUFURDCZFOCR-JTQLQIEISA-N 2 2 293.371 -0.346 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NCC1CC[NH+](CC(N)=O)CC1 ZINC001225167787 825254880 /nfs/dbraw/zinc/25/48/80/825254880.db2.gz AMFXPCVLPDVGST-UHFFFAOYSA-N 2 2 293.371 -0.724 20 0 CBADLP CNC(=O)C[NH+]1CCC(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001225659064 825260146 /nfs/dbraw/zinc/26/01/46/825260146.db2.gz XVZMVCLDARYODY-UHFFFAOYSA-N 2 2 293.371 -0.543 20 0 CBADLP NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001225946960 825269361 /nfs/dbraw/zinc/26/93/61/825269361.db2.gz NBJBKOVJNZLWCA-GHMZBOCLSA-N 2 2 293.371 -0.155 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CCC(NC(=O)CCn2cc[nH+]c2)CC1 ZINC001228516223 825319344 /nfs/dbraw/zinc/31/93/44/825319344.db2.gz HZOKGRJXZCZGAA-NSHDSACASA-N 2 2 293.371 -0.272 20 0 CBADLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(=O)[nH]n2)C1 ZINC001232030029 825418018 /nfs/dbraw/zinc/41/80/18/825418018.db2.gz XTHCFZQMKLNEEQ-LLVKDONJSA-N 2 2 293.371 -0.176 20 0 CBADLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(=O)[nH]n2)C1 ZINC001232030029 825418020 /nfs/dbraw/zinc/41/80/20/825418020.db2.gz XTHCFZQMKLNEEQ-LLVKDONJSA-N 2 2 293.371 -0.176 20 0 CBADLP C(C[N@@H+]1CCN2CC[NH2+]C[C@@H]2C1)[C@H]1CCC[NH2+]C1 ZINC001234974508 825477925 /nfs/dbraw/zinc/47/79/25/825477925.db2.gz KXEHWHNHQOGADS-ZIAGYGMSSA-N 3 2 252.406 -0.035 20 0 CBADLP C(C[N@H+]1CCN2CC[NH2+]C[C@@H]2C1)[C@H]1CCC[NH2+]C1 ZINC001234974508 825477926 /nfs/dbraw/zinc/47/79/26/825477926.db2.gz KXEHWHNHQOGADS-ZIAGYGMSSA-N 3 2 252.406 -0.035 20 0 CBADLP CC(C)(CN1CC[NH2+]C[C@@]12CC[NH2+]C2)[NH+]1CCOCC1 ZINC001234982499 825480329 /nfs/dbraw/zinc/48/03/29/825480329.db2.gz UCDCJXNRZRDWER-HNNXBMFYSA-N 3 2 282.432 -0.266 20 0 CBADLP c1nc2n(c1CN1CC[NH2+]C[C@]13CC[NH2+]C3)CC[NH2+]C2 ZINC001234992689 825481945 /nfs/dbraw/zinc/48/19/45/825481945.db2.gz KQEQRFGDEXJWPU-CQSZACIVSA-N 3 2 276.388 -0.876 20 0 CBADLP CC1(C)OC[C@H](C[N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)O1 ZINC001235052981 825484366 /nfs/dbraw/zinc/48/43/66/825484366.db2.gz HUAPSAHATZDIRQ-AAEUAGOBSA-N 2 2 255.362 -0.225 20 0 CBADLP CC1(C)OC[C@H](C[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)O1 ZINC001235052981 825484369 /nfs/dbraw/zinc/48/43/69/825484369.db2.gz HUAPSAHATZDIRQ-AAEUAGOBSA-N 2 2 255.362 -0.225 20 0 CBADLP CC1(C)O[C@@H]2O[C@@H](C[N@@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)[C@@H](O)[C@@H]2O1 ZINC001235257251 825491088 /nfs/dbraw/zinc/49/10/88/825491088.db2.gz XLZLIHHBSTZGJF-IIEFLBBWSA-N 2 2 298.383 -0.093 20 0 CBADLP CC1(C)O[C@@H]2O[C@@H](C[N@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)[C@@H](O)[C@@H]2O1 ZINC001235257251 825491094 /nfs/dbraw/zinc/49/10/94/825491094.db2.gz XLZLIHHBSTZGJF-IIEFLBBWSA-N 2 2 298.383 -0.093 20 0 CBADLP COC(=O)[C@@H]1C[N@H+](CC[C@H]2CCCC[NH2+]2)CCN1 ZINC001235444194 825495399 /nfs/dbraw/zinc/49/53/99/825495399.db2.gz NUSMXVJVSIGBJX-NEPJUHHUSA-N 2 2 255.362 -0.035 20 0 CBADLP COC(=O)[C@@H]1C[N@@H+](CC[C@H]2CCCC[NH2+]2)CCN1 ZINC001235444194 825495407 /nfs/dbraw/zinc/49/54/07/825495407.db2.gz NUSMXVJVSIGBJX-NEPJUHHUSA-N 2 2 255.362 -0.035 20 0 CBADLP OCc1ncn2c1C[N@H+](CC[C@@H]1C[NH2+]CCO1)CC2 ZINC001235504388 825499563 /nfs/dbraw/zinc/49/95/63/825499563.db2.gz NBZZNNASJKOVFS-LLVKDONJSA-N 2 2 266.345 -0.431 20 0 CBADLP OCc1ncn2c1C[N@@H+](CC[C@@H]1C[NH2+]CCO1)CC2 ZINC001235504388 825499565 /nfs/dbraw/zinc/49/95/65/825499565.db2.gz NBZZNNASJKOVFS-LLVKDONJSA-N 2 2 266.345 -0.431 20 0 CBADLP Cn1cc(N2CC[C@@]3(CC[N@H+](CC[NH3+])C3)C2=O)cn1 ZINC001235538424 825500612 /nfs/dbraw/zinc/50/06/12/825500612.db2.gz QGZBKHQLTVHAQI-CYBMUJFWSA-N 2 2 263.345 -0.192 20 0 CBADLP Cn1cc(N2CC[C@@]3(CC[N@@H+](CC[NH3+])C3)C2=O)cn1 ZINC001235538424 825500618 /nfs/dbraw/zinc/50/06/18/825500618.db2.gz QGZBKHQLTVHAQI-CYBMUJFWSA-N 2 2 263.345 -0.192 20 0 CBADLP CN(C)C(=O)CN1CC[C@]2(CCC[N@H+](CC[NH3+])C2)C1=O ZINC001235549327 825502915 /nfs/dbraw/zinc/50/29/15/825502915.db2.gz IASBNNKQOPTTKL-AWEZNQCLSA-N 2 2 282.388 -0.652 20 0 CBADLP CN(C)C(=O)CN1CC[C@]2(CCC[N@@H+](CC[NH3+])C2)C1=O ZINC001235549327 825502921 /nfs/dbraw/zinc/50/29/21/825502921.db2.gz IASBNNKQOPTTKL-AWEZNQCLSA-N 2 2 282.388 -0.652 20 0 CBADLP [NH3+]CC[N@@H+]1C[C@H]2CN(Cc3ccncc3)C(=O)[C@H]2C1 ZINC001235570718 825504105 /nfs/dbraw/zinc/50/41/05/825504105.db2.gz RRYLVKYPYDHIIH-STQMWFEESA-N 2 2 260.341 -0.070 20 0 CBADLP [NH3+]CC[N@H+]1C[C@H]2CN(Cc3ccncc3)C(=O)[C@H]2C1 ZINC001235570718 825504108 /nfs/dbraw/zinc/50/41/08/825504108.db2.gz RRYLVKYPYDHIIH-STQMWFEESA-N 2 2 260.341 -0.070 20 0 CBADLP [NH3+]CC[N@@H+]1CC[C@@H]2[C@@H](CO[C@H]2CC(=O)N2CCOCC2)C1 ZINC001235616692 825506634 /nfs/dbraw/zinc/50/66/34/825506634.db2.gz RPHJJYACVOYCEE-MCIONIFRSA-N 2 2 297.399 -0.469 20 0 CBADLP [NH3+]CC[N@H+]1CC[C@@H]2[C@@H](CO[C@H]2CC(=O)N2CCOCC2)C1 ZINC001235616692 825506644 /nfs/dbraw/zinc/50/66/44/825506644.db2.gz RPHJJYACVOYCEE-MCIONIFRSA-N 2 2 297.399 -0.469 20 0 CBADLP Cn1cc(C[N@@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)c(=O)n(C)c1=O ZINC001235987059 825519532 /nfs/dbraw/zinc/51/95/32/825519532.db2.gz DCNSELYQJWVGAH-GXFFZTMASA-N 2 2 264.329 -0.993 20 0 CBADLP Cn1cc(C[N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)c(=O)n(C)c1=O ZINC001235987059 825519537 /nfs/dbraw/zinc/51/95/37/825519537.db2.gz DCNSELYQJWVGAH-GXFFZTMASA-N 2 2 264.329 -0.993 20 0 CBADLP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+](Cc3nnc[nH]3)C[C@H]1C2 ZINC001236035625 825519771 /nfs/dbraw/zinc/51/97/71/825519771.db2.gz GYRFCFJBUZQCPY-DEKYYXRVSA-N 2 2 291.355 -0.365 20 0 CBADLP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+](Cc3nnc[nH]3)C[C@H]1C2 ZINC001236035625 825519775 /nfs/dbraw/zinc/51/97/75/825519775.db2.gz GYRFCFJBUZQCPY-DEKYYXRVSA-N 2 2 291.355 -0.365 20 0 CBADLP C[N@H+](CC[C@H]1COC(C)(C)[NH2+]1)CCN1CC[NH2+]CC1 ZINC001236083932 825523061 /nfs/dbraw/zinc/52/30/61/825523061.db2.gz WSFKALDFKYQJNH-ZDUSSCGKSA-N 3 2 270.421 -0.062 20 0 CBADLP C[N@@H+](CC[C@H]1COC(C)(C)[NH2+]1)CCN1CC[NH2+]CC1 ZINC001236083932 825523064 /nfs/dbraw/zinc/52/30/64/825523064.db2.gz WSFKALDFKYQJNH-ZDUSSCGKSA-N 3 2 270.421 -0.062 20 0 CBADLP CC[C@H]([NH3+])C[N@H+](C)Cc1cn(C)c(=O)n(C)c1=O ZINC001236868324 825533366 /nfs/dbraw/zinc/53/33/66/825533366.db2.gz AWPGSOVZCKETTN-JTQLQIEISA-N 2 2 254.334 -0.747 20 0 CBADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1cn(C)c(=O)n(C)c1=O ZINC001236868324 825533372 /nfs/dbraw/zinc/53/33/72/825533372.db2.gz AWPGSOVZCKETTN-JTQLQIEISA-N 2 2 254.334 -0.747 20 0 CBADLP C[C@@]1(CNS(=O)(=O)CC[NH3+])CC[NH2+]CC1(F)F ZINC001238505788 825554594 /nfs/dbraw/zinc/55/45/94/825554594.db2.gz WKUBABXFQVRVKX-QMMMGPOBSA-N 2 2 271.333 -0.501 20 0 CBADLP Cc1ccc(F)c(S(=O)(=O)NCC[NH2+]CC[NH3+])c1 ZINC001238838690 825566442 /nfs/dbraw/zinc/56/64/42/825566442.db2.gz MBJCLTQGVSROSA-UHFFFAOYSA-N 2 2 275.349 -0.039 20 0 CBADLP O=C(NCc1ccco1)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001239286516 825599679 /nfs/dbraw/zinc/59/96/79/825599679.db2.gz LGGFXUDMAAHZGV-UHFFFAOYSA-N 2 2 295.387 -0.426 20 0 CBADLP O[C@@H](CN[C@H]1C[NH2+]CC12CC2)C[NH+]1CCOCC1 ZINC001245988310 825618173 /nfs/dbraw/zinc/61/81/73/825618173.db2.gz VDWHLKXNEPSDNI-RYUDHWBXSA-N 2 2 255.362 -0.979 20 0 CBADLP O[C@H](CN[C@H]1CCCC[NH2+]C1)C[NH+]1CCOCC1 ZINC001245995065 825619562 /nfs/dbraw/zinc/61/95/62/825619562.db2.gz RZXYDMFVEKGJEK-QWHCGFSZSA-N 2 2 257.378 -0.589 20 0 CBADLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1C[C@@H](O)CN1CCOCC1 ZINC001246017046 825621331 /nfs/dbraw/zinc/62/13/31/825621331.db2.gz PZDRSNIFOAEEPX-AVGNSLFASA-N 2 2 257.378 -0.509 20 0 CBADLP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1C[C@@H](O)CN1CCOCC1 ZINC001246017046 825621334 /nfs/dbraw/zinc/62/13/34/825621334.db2.gz PZDRSNIFOAEEPX-AVGNSLFASA-N 2 2 257.378 -0.509 20 0 CBADLP C[C@@H]1CC[N@H+](C[C@H](O)CC2(O)CC[NH2+]CC2)C[C@@H]1[NH3+] ZINC001246017988 825621925 /nfs/dbraw/zinc/62/19/25/825621925.db2.gz CADZLCWGBQKODS-UPJWGTAASA-N 3 2 271.405 -0.479 20 0 CBADLP C[C@@H]1CC[N@@H+](C[C@H](O)CC2(O)CC[NH2+]CC2)C[C@@H]1[NH3+] ZINC001246017988 825621927 /nfs/dbraw/zinc/62/19/27/825621927.db2.gz CADZLCWGBQKODS-UPJWGTAASA-N 3 2 271.405 -0.479 20 0 CBADLP CC(C)(C)OC(=O)[C@@H](O)C[N@@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246018543 825622515 /nfs/dbraw/zinc/62/25/15/825622515.db2.gz DVTYNJCJWIAHTQ-BBBLOLIVSA-N 2 2 260.334 -0.917 20 0 CBADLP CC(C)(C)OC(=O)[C@@H](O)C[N@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246018543 825622518 /nfs/dbraw/zinc/62/25/18/825622518.db2.gz DVTYNJCJWIAHTQ-BBBLOLIVSA-N 2 2 260.334 -0.917 20 0 CBADLP Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@@H]1C[NH2+]CCN1 ZINC001246017787 825622548 /nfs/dbraw/zinc/62/25/48/825622548.db2.gz ZQWPIJKGCKONRU-KBPBESRZSA-N 2 2 279.384 -0.114 20 0 CBADLP COc1cccc(OC[C@@H](O)C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c1 ZINC001246018471 825622698 /nfs/dbraw/zinc/62/26/98/825622698.db2.gz DPIBBYHKLKMRPC-NILFDRSVSA-N 2 2 296.367 -0.171 20 0 CBADLP COc1cccc(OC[C@@H](O)C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c1 ZINC001246018471 825622702 /nfs/dbraw/zinc/62/27/02/825622702.db2.gz DPIBBYHKLKMRPC-NILFDRSVSA-N 2 2 296.367 -0.171 20 0 CBADLP [NH3+]C[C@@]1(F)CCCC[N@H+](C[C@@H](O)CN2CCOCC2)C1 ZINC001246020980 825624455 /nfs/dbraw/zinc/62/44/55/825624455.db2.gz KRYOCPJXJAFAQT-KBPBESRZSA-N 2 2 289.395 -0.168 20 0 CBADLP [NH3+]C[C@@]1(F)CCCC[N@@H+](C[C@@H](O)CN2CCOCC2)C1 ZINC001246020980 825624458 /nfs/dbraw/zinc/62/44/58/825624458.db2.gz KRYOCPJXJAFAQT-KBPBESRZSA-N 2 2 289.395 -0.168 20 0 CBADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](C[C@H](O)CN2CCOCC2)C1 ZINC001246027780 825625373 /nfs/dbraw/zinc/62/53/73/825625373.db2.gz YMNMTWKTSZIIBD-MGPQQGTHSA-N 2 2 271.405 -0.261 20 0 CBADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](C[C@H](O)CN2CCOCC2)C1 ZINC001246027780 825625378 /nfs/dbraw/zinc/62/53/78/825625378.db2.gz YMNMTWKTSZIIBD-MGPQQGTHSA-N 2 2 271.405 -0.261 20 0 CBADLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](C[C@H](O)CN2CCOCC2)C1 ZINC001246027756 825625926 /nfs/dbraw/zinc/62/59/26/825625926.db2.gz YMNMTWKTSZIIBD-HZSPNIEDSA-N 2 2 271.405 -0.261 20 0 CBADLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](C[C@H](O)CN2CCOCC2)C1 ZINC001246027756 825625931 /nfs/dbraw/zinc/62/59/31/825625931.db2.gz YMNMTWKTSZIIBD-HZSPNIEDSA-N 2 2 271.405 -0.261 20 0 CBADLP COC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)CN1 ZINC001246092490 825635379 /nfs/dbraw/zinc/63/53/79/825635379.db2.gz SBBMNBVVIBAEEF-VLEAKVRGSA-N 2 2 259.325 -0.430 20 0 CBADLP CC[C@]1(C(=O)OC)C[C@H](N[C@H]2CC[NH2+]C[C@H]2F)C[NH2+]1 ZINC001246099597 825636689 /nfs/dbraw/zinc/63/66/89/825636689.db2.gz ROFLXSMPTHRFQX-SRRSOLGSSA-N 2 2 273.352 -0.040 20 0 CBADLP COC(=O)[C@H]1C[C@H](NC[C@H]2CC[C@@H](C)C[NH2+]2)C[NH2+]1 ZINC001246116008 825637821 /nfs/dbraw/zinc/63/78/21/825637821.db2.gz UFYMNQHYDZBFLZ-WISYIIOYSA-N 2 2 255.362 -0.132 20 0 CBADLP COC(=O)[C@@H]1C[C@@H]([NH2+][C@H]2C[NH2+]CC23CC3)CCN1 ZINC001246134538 825639232 /nfs/dbraw/zinc/63/92/32/825639232.db2.gz REQXNVUFTLEJCJ-DCAQKATOSA-N 2 2 253.346 -0.378 20 0 CBADLP CC(C)(C)OC(=O)[C@@H]1C[C@H]([NH2+][C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)CN1 ZINC001246139388 825639938 /nfs/dbraw/zinc/63/99/38/825639938.db2.gz SSGOSTXNVCRGJD-OBPIAQAESA-N 2 2 297.399 -0.365 20 0 CBADLP CC(C)(C)OC(=O)[C@@H]1C[C@H](N[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)C[NH2+]1 ZINC001246139388 825639942 /nfs/dbraw/zinc/63/99/42/825639942.db2.gz SSGOSTXNVCRGJD-OBPIAQAESA-N 2 2 297.399 -0.365 20 0 CBADLP COC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@]2(F)CC[NH2+]C2)CN1 ZINC001246139460 825639952 /nfs/dbraw/zinc/63/99/52/825639952.db2.gz CZFMHVTURPJPSA-SCVCMEIPSA-N 2 2 259.325 -0.429 20 0 CBADLP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@]2(F)CC[NH2+]C2)CN1 ZINC001246139452 825640391 /nfs/dbraw/zinc/64/03/91/825640391.db2.gz CZFMHVTURPJPSA-NHCYSSNCSA-N 2 2 259.325 -0.429 20 0 CBADLP CC[C@]1(C(=O)OC)C[C@@H](N[C@@H]2[C@H]3C[NH2+]C[C@@H]2COC3)C[NH2+]1 ZINC001246149913 825642127 /nfs/dbraw/zinc/64/21/27/825642127.db2.gz QYQVYLUWLWJZAV-GEJOOGBSSA-N 2 2 297.399 -0.506 20 0 CBADLP CCOC(=O)C1([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CCOCC1 ZINC001246154918 825643125 /nfs/dbraw/zinc/64/31/25/825643125.db2.gz WATWCZIEAXJQBZ-LBPRGKRZSA-N 2 2 297.399 -0.218 20 0 CBADLP OCC[NH+](CCO)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246159769 825643244 /nfs/dbraw/zinc/64/32/44/825643244.db2.gz CIKAQKIKRPHWJC-PBWFPOADSA-N 3 2 271.405 -0.464 20 0 CBADLP C[C@@H]1C[C@H]([NH2+]CCC[NH+](CCO)CCO)CC[NH2+]1 ZINC001246163145 825644240 /nfs/dbraw/zinc/64/42/40/825644240.db2.gz WJBWGWNZIYWCTP-CHWSQXEVSA-N 3 2 259.394 -0.607 20 0 CBADLP C[C@H]1C[C@H]([NH2+]CCC[NH+](CCO)CCO)CC[NH2+]1 ZINC001246163147 825644288 /nfs/dbraw/zinc/64/42/88/825644288.db2.gz WJBWGWNZIYWCTP-QWHCGFSZSA-N 3 2 259.394 -0.607 20 0 CBADLP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@]2(F)CCC[NH2+]C2)CN1 ZINC001246170243 825644755 /nfs/dbraw/zinc/64/47/55/825644755.db2.gz FKAQABUBQZUOSC-GVXVVHGQSA-N 2 2 273.352 -0.039 20 0 CBADLP COC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@@]2(F)CCC[NH2+]C2)CN1 ZINC001246170247 825644787 /nfs/dbraw/zinc/64/47/87/825644787.db2.gz FKAQABUBQZUOSC-NTZNESFSSA-N 2 2 273.352 -0.039 20 0 CBADLP COC(=O)[C@@H]([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)C1CC1 ZINC001246177297 825645727 /nfs/dbraw/zinc/64/57/27/825645727.db2.gz IRWLCOMVMQJILD-MNOVXSKESA-N 2 2 253.346 -0.378 20 0 CBADLP C[C@@H]1CC[C@@H]([NH2+]CCNC(=O)N2CCOCC2)C[NH2+]1 ZINC001246209435 825650608 /nfs/dbraw/zinc/65/06/08/825650608.db2.gz HZUDTUXXPZGDCQ-VXGBXAGGSA-N 2 2 270.377 -0.242 20 0 CBADLP C[N@H+](CCC[NH3+])CCC[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246285337 825659139 /nfs/dbraw/zinc/65/91/39/825659139.db2.gz RZPHLTDPGHRVFW-ZDUSSCGKSA-N 4 2 269.437 -0.659 20 0 CBADLP C[N@@H+](CCC[NH3+])CCC[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246285337 825659143 /nfs/dbraw/zinc/65/91/43/825659143.db2.gz RZPHLTDPGHRVFW-ZDUSSCGKSA-N 4 2 269.437 -0.659 20 0 CBADLP CC[C@]1(C(=O)OC)C[C@@H](N[C@@H]2C[NH2+]CCC2=O)C[NH2+]1 ZINC001246285929 825659270 /nfs/dbraw/zinc/65/92/70/825659270.db2.gz AGEOLHWECWANJN-GIPNMCIBSA-N 2 2 269.345 -0.809 20 0 CBADLP C[C@H]([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)[C@@H]1C[NH2+]CCO1 ZINC001246295574 825660669 /nfs/dbraw/zinc/66/06/69/825660669.db2.gz PCXSNJCKPFSNLD-TUAOUCFPSA-N 3 2 254.378 -0.953 20 0 CBADLP COC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)[C@@H]2C[NH2+]CCO2)CN1 ZINC001246289319 825660885 /nfs/dbraw/zinc/66/08/85/825660885.db2.gz CJMMAAGOUXBSQB-RHYQMDGZSA-N 2 2 271.361 -0.754 20 0 CBADLP OC[C@@H]1C[NH2+]C[C@@H]1[NH2+][C@H]1CCN[C@H](C(F)(F)F)C1 ZINC001246303078 825662508 /nfs/dbraw/zinc/66/25/08/825662508.db2.gz DRKIISFCVYVBLR-XKNYDFJKSA-N 2 2 267.295 -0.161 20 0 CBADLP COC(=O)[C@@H]1C[C@H](Nc2ccc(C[NH3+])nc2)C[NH2+]1 ZINC001246322506 825664813 /nfs/dbraw/zinc/66/48/13/825664813.db2.gz BOHFHLMPTNXMSO-QWRGUYRKSA-N 2 2 250.302 -0.144 20 0 CBADLP C([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)[C@H]1CSCC[NH2+]1 ZINC001246335256 825665505 /nfs/dbraw/zinc/66/55/05/825665505.db2.gz HFZCEKAVKFAGDE-QWRGUYRKSA-N 3 2 256.419 -0.625 20 0 CBADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)NC1CC[NH2+]CC1 ZINC001246334338 825666072 /nfs/dbraw/zinc/66/60/72/825666072.db2.gz QOQKIWXQZGBFTE-GFCCVEGCSA-N 2 2 266.345 -0.154 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](NC[C@@H]2CSCC[NH2+]2)C[NH2+]1 ZINC001246338562 825666607 /nfs/dbraw/zinc/66/66/07/825666607.db2.gz ZDFPNSDJCWHJDV-BBBLOLIVSA-N 2 2 259.375 -0.816 20 0 CBADLP C[C@H]1CC[C@@H]([NH2+]CCN2CCS(=O)(=O)CC2)C[NH2+]1 ZINC001246337955 825666905 /nfs/dbraw/zinc/66/69/05/825666905.db2.gz YPHLMGJLEKOCRK-NWDGAFQWSA-N 2 2 275.418 -0.553 20 0 CBADLP CCOC(=O)[C@H](N)C[NH2+][C@H]1CC2CC[NH+](CC2)C1 ZINC001246415498 825672835 /nfs/dbraw/zinc/67/28/35/825672835.db2.gz CVRNKTOQHIUNPC-NWDGAFQWSA-N 2 2 255.362 -0.049 20 0 CBADLP COC(=O)[C@@H]1C[C@H]([NH2+][C@H]2CC23C[NH2+]C3)C[C@@H]1C(=O)OC ZINC001246453578 825674272 /nfs/dbraw/zinc/67/42/72/825674272.db2.gz XTAQIHMMPGULFD-VLEAKVRGSA-N 2 2 282.340 -0.321 20 0 CBADLP COC(=O)[C@H]([NH3+])Cc1cn([C@H]2CCC[NH2+]C2)cn1 ZINC001246523965 825680332 /nfs/dbraw/zinc/68/03/32/825680332.db2.gz NWSDEMADTBPYKJ-WDEREUQCSA-N 2 2 252.318 -0.150 20 0 CBADLP COC(=O)[C@@H]1C[C@H]([NH2+]CCc2[nH+]ccn2C)CN1 ZINC001246525802 825681644 /nfs/dbraw/zinc/68/16/44/825681644.db2.gz OEUDMYTXUSNTAB-UWVGGRQHSA-N 2 2 252.318 -0.544 20 0 CBADLP COC(=O)[C@@H]1C[C@H]([N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)CN1 ZINC001246548339 825684561 /nfs/dbraw/zinc/68/45/61/825684561.db2.gz GENWKUUEPDLRLX-USZNOCQGSA-N 2 2 255.362 -0.193 20 0 CBADLP COC(=O)[C@@H]1C[C@H]([N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)CN1 ZINC001246548339 825684562 /nfs/dbraw/zinc/68/45/62/825684562.db2.gz GENWKUUEPDLRLX-USZNOCQGSA-N 2 2 255.362 -0.193 20 0 CBADLP COC(=O)[C@@H]1C[C@H](N2CC[C@H]3C[NH2+]CC[C@H]32)C[NH2+]1 ZINC001246625004 825696407 /nfs/dbraw/zinc/69/64/07/825696407.db2.gz QORGSYKEEDTQKR-FIQHERPVSA-N 2 2 253.346 -0.426 20 0 CBADLP COC(=O)[C@@H]1C[C@H]([N@@H+]2CC[C@@H]3[NH2+]CC[C@H]32)CCN1 ZINC001246629557 825698312 /nfs/dbraw/zinc/69/83/12/825698312.db2.gz DODSJYTVDIKTLX-NOOOWODRSA-N 2 2 253.346 -0.284 20 0 CBADLP COC(=O)[C@@H]1C[C@H]([N@H+]2CC[C@@H]3[NH2+]CC[C@H]32)CCN1 ZINC001246629557 825698314 /nfs/dbraw/zinc/69/83/14/825698314.db2.gz DODSJYTVDIKTLX-NOOOWODRSA-N 2 2 253.346 -0.284 20 0 CBADLP C1CC2(CC[NH+]([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)[NH2+]1 ZINC001246650345 825702871 /nfs/dbraw/zinc/70/28/71/825702871.db2.gz TZIWXQJTRPZPLX-GFCCVEGCSA-N 3 2 250.390 -0.092 20 0 CBADLP Cc1nnc2n1CC[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246799050 825713568 /nfs/dbraw/zinc/71/35/68/825713568.db2.gz VHIRYNYDZXHKAT-LLVKDONJSA-N 2 2 262.361 -0.504 20 0 CBADLP Cc1nnc2n1CC[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246799050 825713572 /nfs/dbraw/zinc/71/35/72/825713572.db2.gz VHIRYNYDZXHKAT-LLVKDONJSA-N 2 2 262.361 -0.504 20 0 CBADLP COC(=O)[C@@H]1C[C@H](N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)C[NH2+]1 ZINC001246822417 825717790 /nfs/dbraw/zinc/71/77/90/825717790.db2.gz ZFYQEVIDQLUNHZ-USZNOCQGSA-N 2 2 255.362 -0.086 20 0 CBADLP COC(=O)[C@@H]1C[C@H](N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)C[NH2+]1 ZINC001246822417 825717798 /nfs/dbraw/zinc/71/77/98/825717798.db2.gz ZFYQEVIDQLUNHZ-USZNOCQGSA-N 2 2 255.362 -0.086 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](N2CC[C@H]([NH3+])C(F)(F)C2)C[NH2+]1 ZINC001246832409 825719186 /nfs/dbraw/zinc/71/91/86/825719186.db2.gz BYOSEATWDLYITH-VGMNWLOBSA-N 2 2 263.288 -0.442 20 0 CBADLP C[C@@H]1C[C@H]([N@@H+]2CCN3C(=O)COC[C@H]3C2)CC[NH2+]1 ZINC001246869650 825725281 /nfs/dbraw/zinc/72/52/81/825725281.db2.gz NECVNQXZVZQBRQ-IJLUTSLNSA-N 2 2 253.346 -0.330 20 0 CBADLP C[C@@H]1C[C@H]([N@H+]2CCN3C(=O)COC[C@H]3C2)CC[NH2+]1 ZINC001246869650 825725285 /nfs/dbraw/zinc/72/52/85/825725285.db2.gz NECVNQXZVZQBRQ-IJLUTSLNSA-N 2 2 253.346 -0.330 20 0 CBADLP COC(=O)[C@@H]1C[N@@H+]([C@@H]2CC[NH2+][C@H](C)C2)CCN1C ZINC001246871439 825727754 /nfs/dbraw/zinc/72/77/54/825727754.db2.gz ZIBSHUOOTSETSW-UTUOFQBUSA-N 2 2 255.362 -0.084 20 0 CBADLP COC(=O)[C@@H]1C[N@H+]([C@@H]2CC[NH2+][C@H](C)C2)CCN1C ZINC001246871439 825727760 /nfs/dbraw/zinc/72/77/60/825727760.db2.gz ZIBSHUOOTSETSW-UTUOFQBUSA-N 2 2 255.362 -0.084 20 0 CBADLP C1C(N2CC[NH2+]CC2)C[NH+]1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246892291 825729113 /nfs/dbraw/zinc/72/91/13/825729113.db2.gz FYEIFSVZCBFPEH-FUNVUKJBSA-N 3 2 250.390 -0.141 20 0 CBADLP C[NH2+]C1CCC([N@@H+]2C[C@H]([NH3+])[C@@H](C(=O)OC)C2)CC1 ZINC001246935885 825733911 /nfs/dbraw/zinc/73/39/11/825733911.db2.gz ZHMQFUIRSRPODF-QQFIATSDSA-N 3 2 255.362 -0.051 20 0 CBADLP C[NH2+]C1CCC([N@H+]2C[C@H]([NH3+])[C@@H](C(=O)OC)C2)CC1 ZINC001246935885 825733915 /nfs/dbraw/zinc/73/39/15/825733915.db2.gz ZHMQFUIRSRPODF-QQFIATSDSA-N 3 2 255.362 -0.051 20 0 CBADLP COCCCC[NH+]1CCN([C@H]2C[NH2+][C@H](C(=O)OC)C2)CC1 ZINC001246988162 825739222 /nfs/dbraw/zinc/73/92/22/825739222.db2.gz FRMVCACWMMYLRB-KGLIPLIRSA-N 2 2 299.415 -0.066 20 0 CBADLP CC[N@@H+]1CCN([C@@H]2C[NH2+][C@H](C(=O)OC)C2)[C@H](C)C1 ZINC001246991510 825740849 /nfs/dbraw/zinc/74/08/49/825740849.db2.gz BFPIGEPVAYAKQW-WOPDTQHZSA-N 2 2 255.362 -0.084 20 0 CBADLP CC[N@H+]1CCN([C@@H]2C[NH2+][C@H](C(=O)OC)C2)[C@H](C)C1 ZINC001246991510 825740853 /nfs/dbraw/zinc/74/08/53/825740853.db2.gz BFPIGEPVAYAKQW-WOPDTQHZSA-N 2 2 255.362 -0.084 20 0 CBADLP C[NH+](C)CCNC(=S)NC1CC[NH+](C2COC2)CC1 ZINC001249848858 825750985 /nfs/dbraw/zinc/75/09/85/825750985.db2.gz JWXYCOFPKDXXMC-UHFFFAOYSA-N 2 2 286.445 -0.125 20 0 CBADLP Cc1[nH+]cn(C)c1NC[C@@H](O)C[NH+]1CCOCC1 ZINC001251005350 825757962 /nfs/dbraw/zinc/75/79/62/825757962.db2.gz ARTLHCYRPZGYNL-LLVKDONJSA-N 2 2 254.334 -0.166 20 0 CBADLP O[C@H](CN1CC[N@@H+]2CC[C@@H]2C1)C[NH+]1CCOCC1 ZINC001251023727 825764851 /nfs/dbraw/zinc/76/48/51/825764851.db2.gz NOLULHMLPOOWLU-OLZOCXBDSA-N 2 2 255.362 -0.931 20 0 CBADLP O[C@H](CN1CC[N@H+]2CC[C@@H]2C1)C[NH+]1CCOCC1 ZINC001251023727 825764854 /nfs/dbraw/zinc/76/48/54/825764854.db2.gz NOLULHMLPOOWLU-OLZOCXBDSA-N 2 2 255.362 -0.931 20 0 CBADLP C[N@H+](C1CC1)[C@@H]1CCN(C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC001251024921 825766548 /nfs/dbraw/zinc/76/65/48/825766548.db2.gz SHAYCABMCWYMAC-CABCVRRESA-N 2 2 283.416 -0.152 20 0 CBADLP C[N@@H+](C1CC1)[C@@H]1CCN(C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC001251024921 825766552 /nfs/dbraw/zinc/76/65/52/825766552.db2.gz SHAYCABMCWYMAC-CABCVRRESA-N 2 2 283.416 -0.152 20 0 CBADLP Cc1[nH+]c[nH]c1CC[NH2+]C[C@H](O)CN1CCOCC1 ZINC001251034666 825766707 /nfs/dbraw/zinc/76/67/07/825766707.db2.gz AHFRNJNNIQMJGB-LBPRGKRZSA-N 2 2 268.361 -0.457 20 0 CBADLP C[N@H+](C1CC1)[C@H]1CCN(C[C@H](O)C[NH+]2CCOCC2)C1 ZINC001251024928 825767507 /nfs/dbraw/zinc/76/75/07/825767507.db2.gz SHAYCABMCWYMAC-LSDHHAIUSA-N 2 2 283.416 -0.152 20 0 CBADLP C[N@@H+](C1CC1)[C@H]1CCN(C[C@H](O)C[NH+]2CCOCC2)C1 ZINC001251024928 825767510 /nfs/dbraw/zinc/76/75/10/825767510.db2.gz SHAYCABMCWYMAC-LSDHHAIUSA-N 2 2 283.416 -0.152 20 0 CBADLP COC(=O)CC[N@H+](CCC[NH+](C)C)C[C@H](O)CO ZINC001252059573 825820980 /nfs/dbraw/zinc/82/09/80/825820980.db2.gz BYRGYGYFVAAZCU-NSHDSACASA-N 2 2 262.350 -0.844 20 0 CBADLP COC(=O)CC[N@@H+](CCC[NH+](C)C)C[C@H](O)CO ZINC001252059573 825820983 /nfs/dbraw/zinc/82/09/83/825820983.db2.gz BYRGYGYFVAAZCU-NSHDSACASA-N 2 2 262.350 -0.844 20 0 CBADLP CCCC[C@H](O)C[NH2+][C@@H](Cc1c[nH+]c[nH]1)C(N)=O ZINC001252120603 825832835 /nfs/dbraw/zinc/83/28/35/825832835.db2.gz YZUBOKPEUSOZMY-QWRGUYRKSA-N 2 2 254.334 -0.053 20 0 CBADLP COCC[N@H+](C[C@@H](O)C(=O)OC)C1CC[NH+](C)CC1 ZINC001252421689 825849580 /nfs/dbraw/zinc/84/95/80/825849580.db2.gz KLXRWZHRFISJIC-GFCCVEGCSA-N 2 2 274.361 -0.437 20 0 CBADLP COCC[N@@H+](C[C@@H](O)C(=O)OC)C1CC[NH+](C)CC1 ZINC001252421689 825849585 /nfs/dbraw/zinc/84/95/85/825849585.db2.gz KLXRWZHRFISJIC-GFCCVEGCSA-N 2 2 274.361 -0.437 20 0 CBADLP CC(C)[C@@H](O)C[NH+]1CCN(CC[NH+]2CCOCC2)CC1 ZINC001253759676 825929269 /nfs/dbraw/zinc/92/92/69/825929269.db2.gz FVABUUIPBQYMRL-HNNXBMFYSA-N 2 2 285.432 -0.047 20 0 CBADLP C[NH+]1CCC(CO)([NH2+]CC2(O)CCOCC2)CC1 ZINC001252979445 825897973 /nfs/dbraw/zinc/89/79/73/825897973.db2.gz DQRHLSFQRAHDNN-UHFFFAOYSA-N 2 2 258.362 -0.426 20 0 CBADLP CC[NH+](CC)C[C@H](O)C[NH+]1CCC2(CC1)CNC(=O)CO2 ZINC001253188293 825902779 /nfs/dbraw/zinc/90/27/79/825902779.db2.gz VABKXIADJZUFJG-ZDUSSCGKSA-N 2 2 299.415 -0.330 20 0 CBADLP CC[NH+](CC)C[C@@H](O)C[NH2+][C@@]1(C)CCC(=O)NC1=O ZINC001253209626 825905600 /nfs/dbraw/zinc/90/56/00/825905600.db2.gz GRJRJROITKIRKL-GWCFXTLKSA-N 2 2 271.361 -0.526 20 0 CBADLP CC[NH+](CC)C[C@H](O)C[NH2+]C1(C(N)=O)CCOCC1 ZINC001253207818 825905882 /nfs/dbraw/zinc/90/58/82/825905882.db2.gz KONXSCFIQPTHTC-LLVKDONJSA-N 2 2 273.377 -0.687 20 0 CBADLP C[N@@H+]1CCO[C@H]2CN(C[C@H](O)C[NH2+]C(C)(C)C)C[C@H]21 ZINC001253389130 825911018 /nfs/dbraw/zinc/91/10/18/825911018.db2.gz UXHXTDRNOKLTBV-UPJWGTAASA-N 2 2 271.405 -0.250 20 0 CBADLP C[N@H+]1CCO[C@H]2CN(C[C@H](O)C[NH2+]C(C)(C)C)C[C@H]21 ZINC001253389130 825911022 /nfs/dbraw/zinc/91/10/22/825911022.db2.gz UXHXTDRNOKLTBV-UPJWGTAASA-N 2 2 271.405 -0.250 20 0 CBADLP CC(C)(C)[NH2+]C[C@@H](O)C[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC001253393962 825911917 /nfs/dbraw/zinc/91/19/17/825911917.db2.gz AFVMFWPPQZHUOT-SNVBAGLBSA-N 2 2 298.387 -0.591 20 0 CBADLP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+][C@H]1CCN(S(C)(=O)=O)C1 ZINC001253408257 825913659 /nfs/dbraw/zinc/91/36/59/825913659.db2.gz AIKQMKPTNQWZHN-QWRGUYRKSA-N 2 2 293.433 -0.641 20 0 CBADLP C[NH+](C)CCN(CC[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC001254334870 825955211 /nfs/dbraw/zinc/95/52/11/825955211.db2.gz DFWKIUNNAKPSQY-LBPRGKRZSA-N 2 2 277.434 -0.401 20 0 CBADLP CN1CCC[C@@H]([NH2+]CCC[NH+](CCO)CCO)C1 ZINC001255468420 825983828 /nfs/dbraw/zinc/98/38/28/825983828.db2.gz TZBMOGNAPGGHKF-CYBMUJFWSA-N 2 2 259.394 -0.653 20 0 CBADLP [NH3+][C@@H]1COC[C@H]1[NH2+]C1CCN(C(=O)C(F)(F)F)CC1 ZINC001255972641 825995969 /nfs/dbraw/zinc/99/59/69/825995969.db2.gz AOLGEXUCOKCWAR-RKDXNWHRSA-N 2 2 281.278 -0.145 20 0 CBADLP CC(=O)N1CC(=O)NC[C@]12CC[N@@H+](C1CC[NH+](C)CC1)C2 ZINC001256207783 826003442 /nfs/dbraw/zinc/00/34/42/826003442.db2.gz QJZRAFRWRQSTLB-HNNXBMFYSA-N 2 2 294.399 -0.497 20 0 CBADLP CC(=O)N1CC(=O)NC[C@]12CC[N@H+](C1CC[NH+](C)CC1)C2 ZINC001256207783 826003454 /nfs/dbraw/zinc/00/34/54/826003454.db2.gz QJZRAFRWRQSTLB-HNNXBMFYSA-N 2 2 294.399 -0.497 20 0 CBADLP C[C@H](CC(=O)N1CCOCC1)NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001256323932 826009647 /nfs/dbraw/zinc/00/96/47/826009647.db2.gz PESSHCFXYLTFAV-GFCCVEGCSA-N 2 2 297.403 -0.604 20 0 CBADLP CC(C)[NH+]1CCC([NH2+]CC(=O)NCC(N)=O)CC1 ZINC001257213867 826040849 /nfs/dbraw/zinc/04/08/49/826040849.db2.gz SPTSMUVZLJGRFV-UHFFFAOYSA-N 2 2 256.350 -0.950 20 0 CBADLP C[C@@H]1C[C@H](NC(=O)C(=O)NCCn2cc[nH+]c2)CC[N@@H+]1C ZINC001256874914 826034633 /nfs/dbraw/zinc/03/46/33/826034633.db2.gz XOABJIQITCUTPR-VXGBXAGGSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@@H]1C[C@H](NC(=O)C(=O)NCCn2cc[nH+]c2)CC[N@H+]1C ZINC001256874914 826034637 /nfs/dbraw/zinc/03/46/37/826034637.db2.gz XOABJIQITCUTPR-VXGBXAGGSA-N 2 2 293.371 -0.402 20 0 CBADLP COCCOC[C@H](O)C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC001261436633 826511943 /nfs/dbraw/zinc/51/19/43/826511943.db2.gz GZHULZZXRKQDMK-VXGBXAGGSA-N 2 2 269.345 -0.189 20 0 CBADLP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCCn2cc[nH+]c2)CC1 ZINC001261436281 826512920 /nfs/dbraw/zinc/51/29/20/826512920.db2.gz WUANDXWIBQDWSM-AWEZNQCLSA-N 3 2 281.404 -0.529 20 0 CBADLP CCC[N@H+](CC(=O)N1CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC001261492615 826524024 /nfs/dbraw/zinc/52/40/24/826524024.db2.gz MWXVBMQEXBMXOV-UHFFFAOYSA-N 3 2 268.405 -0.118 20 0 CBADLP CCC[N@@H+](CC(=O)N1CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC001261492615 826524029 /nfs/dbraw/zinc/52/40/29/826524029.db2.gz MWXVBMQEXBMXOV-UHFFFAOYSA-N 3 2 268.405 -0.118 20 0 CBADLP C[C@@H]([NH2+]C1CC1)C(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001261501943 826527652 /nfs/dbraw/zinc/52/76/52/826527652.db2.gz SSPMURCBLKURMN-KOLCDFICSA-N 2 2 268.361 -0.807 20 0 CBADLP C[C@@H]([NH2+]C1CC1)C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001261501943 826527655 /nfs/dbraw/zinc/52/76/55/826527655.db2.gz SSPMURCBLKURMN-KOLCDFICSA-N 2 2 268.361 -0.807 20 0 CBADLP C[C@H]([NH2+]C1CC1)C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001261501942 826527991 /nfs/dbraw/zinc/52/79/91/826527991.db2.gz SSPMURCBLKURMN-GXSJLCMTSA-N 2 2 268.361 -0.807 20 0 CBADLP C[C@H]([NH2+]C1CC1)C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001261501942 826527995 /nfs/dbraw/zinc/52/79/95/826527995.db2.gz SSPMURCBLKURMN-GXSJLCMTSA-N 2 2 268.361 -0.807 20 0 CBADLP NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CCCCCC[NH3+])C1 ZINC001261501781 826528163 /nfs/dbraw/zinc/52/81/63/826528163.db2.gz NXGIUKIRJMAEKM-GFCCVEGCSA-N 2 2 284.404 -0.039 20 0 CBADLP NC(=O)C[N@H+]1CCC[C@@H](NC(=O)CCCCCC[NH3+])C1 ZINC001261501781 826528165 /nfs/dbraw/zinc/52/81/65/826528165.db2.gz NXGIUKIRJMAEKM-GFCCVEGCSA-N 2 2 284.404 -0.039 20 0 CBADLP CC(C)OC[C@H]([NH3+])C(=O)NCCCN1CC[NH+](C)CC1 ZINC001261643792 826554419 /nfs/dbraw/zinc/55/44/19/826554419.db2.gz GHGLATIRXIUEPU-ZDUSSCGKSA-N 2 2 286.420 -0.508 20 0 CBADLP CC(C)OC[C@H]([NH3+])C(=O)NCCC[NH+]1CCN(C)CC1 ZINC001261643792 826554423 /nfs/dbraw/zinc/55/44/23/826554423.db2.gz GHGLATIRXIUEPU-ZDUSSCGKSA-N 2 2 286.420 -0.508 20 0 CBADLP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC001261836711 826594447 /nfs/dbraw/zinc/59/44/47/826594447.db2.gz JTXNPKZKTTWNAS-XUXIUFHCSA-N 3 2 298.431 -0.332 20 0 CBADLP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC001261836711 826594451 /nfs/dbraw/zinc/59/44/51/826594451.db2.gz JTXNPKZKTTWNAS-XUXIUFHCSA-N 3 2 298.431 -0.332 20 0 CBADLP COCC[NH2+]C1CC[NH+](CCc2nnnn2C)CC1 ZINC001261853754 826598360 /nfs/dbraw/zinc/59/83/60/826598360.db2.gz QXBKFXLJZDCGBR-UHFFFAOYSA-N 2 2 268.365 -0.547 20 0 CBADLP CN(C)c1cc(Cn2cc([C@@H]([NH3+])CO)nn2)cc[nH+]1 ZINC001262026883 826624124 /nfs/dbraw/zinc/62/41/24/826624124.db2.gz JVOWDGHSKGRQHW-JTQLQIEISA-N 2 2 262.317 -0.221 20 0 CBADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001262031337 826625965 /nfs/dbraw/zinc/62/59/65/826625965.db2.gz ODOHJBZYFZEVLW-AWEZNQCLSA-N 3 2 263.389 -0.058 20 0 CBADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001262031337 826625967 /nfs/dbraw/zinc/62/59/67/826625967.db2.gz ODOHJBZYFZEVLW-AWEZNQCLSA-N 3 2 263.389 -0.058 20 0 CBADLP COC(=O)CCCNC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001262559699 826709065 /nfs/dbraw/zinc/70/90/65/826709065.db2.gz UCYYBYSCKAAQOY-UHFFFAOYSA-N 2 2 286.376 -0.338 20 0 CBADLP C[C@H]([NH3+])CCNC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001262588554 826715019 /nfs/dbraw/zinc/71/50/19/826715019.db2.gz IOZOGOWXRCVLGA-JTQLQIEISA-N 3 2 257.382 -0.554 20 0 CBADLP C[C@H](CNC(=O)C1(C[NH3+])CC(O)C1)Cn1cc[nH+]c1 ZINC001263096082 826736510 /nfs/dbraw/zinc/73/65/10/826736510.db2.gz GQHSRYDMIBAYJP-XSRFYTQQSA-N 2 2 266.345 -0.265 20 0 CBADLP C[NH2+]CC(=O)N[C@@H]1CCc2c([nH+]c(C)n2CCO)C1 ZINC001263148478 826743568 /nfs/dbraw/zinc/74/35/68/826743568.db2.gz DLFCAFZRJGLQEV-SNVBAGLBSA-N 2 2 266.345 -0.623 20 0 CBADLP C[C@@H](O)C[N@@H+]1CC[C@H]1CN(C)C(=O)Cn1cc[nH+]c1 ZINC001264382393 826804780 /nfs/dbraw/zinc/80/47/80/826804780.db2.gz JPJJFHLWBOUIDR-NEPJUHHUSA-N 2 2 266.345 -0.203 20 0 CBADLP C[C@@H](O)C[N@H+]1CC[C@H]1CN(C)C(=O)Cn1cc[nH+]c1 ZINC001264382393 826804792 /nfs/dbraw/zinc/80/47/92/826804792.db2.gz JPJJFHLWBOUIDR-NEPJUHHUSA-N 2 2 266.345 -0.203 20 0 CBADLP C[C@@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001264440450 826811266 /nfs/dbraw/zinc/81/12/66/826811266.db2.gz CBCWFAMRMUFEOL-IJLUTSLNSA-N 2 2 266.345 -0.252 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)NCCC[N@H+](C)CCO ZINC001265015446 826832895 /nfs/dbraw/zinc/83/28/95/826832895.db2.gz PKWAJDKRMQRDDB-UHFFFAOYSA-N 2 2 268.361 -0.217 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)NCCC[N@@H+](C)CCO ZINC001265015446 826832911 /nfs/dbraw/zinc/83/29/11/826832911.db2.gz PKWAJDKRMQRDDB-UHFFFAOYSA-N 2 2 268.361 -0.217 20 0 CBADLP CC[N@H+](CCO)CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001265135396 826849470 /nfs/dbraw/zinc/84/94/70/826849470.db2.gz FNAGJOJJZPEZES-UHFFFAOYSA-N 2 2 254.334 -0.227 20 0 CBADLP CC[N@@H+](CCO)CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001265135396 826849481 /nfs/dbraw/zinc/84/94/81/826849481.db2.gz FNAGJOJJZPEZES-UHFFFAOYSA-N 2 2 254.334 -0.227 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@H]([NH2+]CCCO)C1 ZINC001265510144 826901019 /nfs/dbraw/zinc/90/10/19/826901019.db2.gz IJNBEXXTVRGMOG-XYPYZODXSA-N 2 2 252.318 -0.498 20 0 CBADLP C[C@@H](O)C[N@H+](C)CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001265945129 826940725 /nfs/dbraw/zinc/94/07/25/826940725.db2.gz ZWBQONNJDUZZDG-SNVBAGLBSA-N 2 2 254.334 -0.229 20 0 CBADLP C[C@@H](O)C[N@@H+](C)CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001265945129 826940732 /nfs/dbraw/zinc/94/07/32/826940732.db2.gz ZWBQONNJDUZZDG-SNVBAGLBSA-N 2 2 254.334 -0.229 20 0 CBADLP NC(=O)C[N@@H+]1CCC[C@@H]1CCCNC(=O)Cn1cc[nH+]c1 ZINC001266247309 826963284 /nfs/dbraw/zinc/96/32/84/826963284.db2.gz IEJAYJCAMXWUFH-LBPRGKRZSA-N 2 2 293.371 -0.271 20 0 CBADLP NC(=O)C[N@H+]1CCC[C@@H]1CCCNC(=O)Cn1cc[nH+]c1 ZINC001266247309 826963291 /nfs/dbraw/zinc/96/32/91/826963291.db2.gz IEJAYJCAMXWUFH-LBPRGKRZSA-N 2 2 293.371 -0.271 20 0 CBADLP CC[N@H+](CCNC(=O)Cn1cc[nH+]c1)C[C@H](C)O ZINC001266440191 827000150 /nfs/dbraw/zinc/00/01/50/827000150.db2.gz KDRLZLXTGYSLNK-NSHDSACASA-N 2 2 254.334 -0.298 20 0 CBADLP CC[N@@H+](CCNC(=O)Cn1cc[nH+]c1)C[C@H](C)O ZINC001266440191 827000157 /nfs/dbraw/zinc/00/01/57/827000157.db2.gz KDRLZLXTGYSLNK-NSHDSACASA-N 2 2 254.334 -0.298 20 0 CBADLP C[C@@H](O)C[N@@H+]1CCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001266498516 827008630 /nfs/dbraw/zinc/00/86/30/827008630.db2.gz XIYLQQAJVNRHOZ-VXGBXAGGSA-N 2 2 266.345 -0.156 20 0 CBADLP C[C@@H](O)C[N@H+]1CCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001266498516 827008639 /nfs/dbraw/zinc/00/86/39/827008639.db2.gz XIYLQQAJVNRHOZ-VXGBXAGGSA-N 2 2 266.345 -0.156 20 0 CBADLP C[C@@H](O)C[N@@H+]1CCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001266498513 827009124 /nfs/dbraw/zinc/00/91/24/827009124.db2.gz XIYLQQAJVNRHOZ-NEPJUHHUSA-N 2 2 266.345 -0.156 20 0 CBADLP C[C@@H](O)C[N@H+]1CCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001266498513 827009133 /nfs/dbraw/zinc/00/91/33/827009133.db2.gz XIYLQQAJVNRHOZ-NEPJUHHUSA-N 2 2 266.345 -0.156 20 0 CBADLP CN(CC[NH2+]CC(=O)NC1CC1)C(=O)CCn1cc[nH+]c1 ZINC001266794163 827066857 /nfs/dbraw/zinc/06/68/57/827066857.db2.gz IXGFODJJDZDMAJ-UHFFFAOYSA-N 2 2 293.371 -0.400 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@H]1CC[N@@H+](CCO)C1 ZINC001267303492 827145838 /nfs/dbraw/zinc/14/58/38/827145838.db2.gz NHIANTXXEVQCDO-JTQLQIEISA-N 2 2 252.318 -0.617 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@H]1CC[N@H+](CCO)C1 ZINC001267303492 827145842 /nfs/dbraw/zinc/14/58/42/827145842.db2.gz NHIANTXXEVQCDO-JTQLQIEISA-N 2 2 252.318 -0.617 20 0 CBADLP C[N@H+](CC(=O)NC1C[NH+](CCCO)C1)C1CCC1 ZINC001267648261 827190030 /nfs/dbraw/zinc/19/00/30/827190030.db2.gz BXSVMDMXLSEMSN-UHFFFAOYSA-N 2 2 255.362 -0.347 20 0 CBADLP C[N@@H+](CC(=O)NC1C[NH+](CCCO)C1)C1CCC1 ZINC001267648261 827190035 /nfs/dbraw/zinc/19/00/35/827190035.db2.gz BXSVMDMXLSEMSN-UHFFFAOYSA-N 2 2 255.362 -0.347 20 0 CBADLP COC[C@H](C)[NH+]1CC(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001267700883 827202662 /nfs/dbraw/zinc/20/26/62/827202662.db2.gz IRHXTLSXYRJWHM-NSHDSACASA-N 2 2 266.345 -0.034 20 0 CBADLP COC[C@@H](C)[NH+]1CC(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001267700882 827203287 /nfs/dbraw/zinc/20/32/87/827203287.db2.gz IRHXTLSXYRJWHM-LLVKDONJSA-N 2 2 266.345 -0.034 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@@](C)(C[NH2+]CCO)C1CC1 ZINC001267863366 827229873 /nfs/dbraw/zinc/22/98/73/827229873.db2.gz HCBVULLQZURYPE-AWEZNQCLSA-N 2 2 280.372 -0.171 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N(C)CC[NH+](C)CC(N)=O ZINC001268259193 827273918 /nfs/dbraw/zinc/27/39/18/827273918.db2.gz KGCQCMRYPFUPTG-UHFFFAOYSA-N 2 2 258.366 -0.798 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N(C)CC[NH+](C)CC(N)=O ZINC001268259193 827273925 /nfs/dbraw/zinc/27/39/25/827273925.db2.gz KGCQCMRYPFUPTG-UHFFFAOYSA-N 2 2 258.366 -0.798 20 0 CBADLP CC(C)[NH+](C)CC(=O)N(C)CC[N@H+](C)CC(N)=O ZINC001268259193 827273932 /nfs/dbraw/zinc/27/39/32/827273932.db2.gz KGCQCMRYPFUPTG-UHFFFAOYSA-N 2 2 258.366 -0.798 20 0 CBADLP CC(C)[NH+](C)CC(=O)N(C)CC[N@@H+](C)CC(N)=O ZINC001268259193 827273938 /nfs/dbraw/zinc/27/39/38/827273938.db2.gz KGCQCMRYPFUPTG-UHFFFAOYSA-N 2 2 258.366 -0.798 20 0 CBADLP O=C(NC[C@H](O)C[NH2+]CCCF)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001268306467 827289589 /nfs/dbraw/zinc/28/95/89/827289589.db2.gz BJLAXOYYCUMMOC-GMTAPVOTSA-N 2 2 284.335 -0.061 20 0 CBADLP O=C(NC[C@H](O)C[NH2+]CCCF)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001268306467 827289593 /nfs/dbraw/zinc/28/95/93/827289593.db2.gz BJLAXOYYCUMMOC-GMTAPVOTSA-N 2 2 284.335 -0.061 20 0 CBADLP O=C(NC[C@H](O)C[NH2+]CCF)c1cccc2[nH+]ccn21 ZINC001268313558 827294574 /nfs/dbraw/zinc/29/45/74/827294574.db2.gz DZOWYXYFODYNQV-SNVBAGLBSA-N 2 2 280.303 -0.016 20 0 CBADLP CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001268313445 827294703 /nfs/dbraw/zinc/29/47/03/827294703.db2.gz DONQHHKGUOJKFC-ZYHUDNBSSA-N 2 2 266.345 -0.468 20 0 CBADLP O=C(NC[C@H](O)C[NH2+]CCO)c1cc2c[nH+]ccc2[nH]1 ZINC001268317781 827296423 /nfs/dbraw/zinc/29/64/23/827296423.db2.gz ZYRASXWMDFQSCA-SNVBAGLBSA-N 2 2 278.312 -0.765 20 0 CBADLP C[C@@H](CC[NH2+]CC(=O)NC1CC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001268403118 827323202 /nfs/dbraw/zinc/32/32/02/827323202.db2.gz IVUWFFMNQVFCIG-JTQLQIEISA-N 2 2 293.371 -0.285 20 0 CBADLP C[C@@H]([NH2+]C/C=C\CNC(=O)Cc1c[nH]c[nH+]1)C(N)=O ZINC001268600011 827376463 /nfs/dbraw/zinc/37/64/63/827376463.db2.gz XYIPRRVKVTZFNK-PKRMOACSSA-N 2 2 265.317 -0.912 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC/C=C\C[NH2+]CCCO ZINC001268613602 827379612 /nfs/dbraw/zinc/37/96/12/827379612.db2.gz OOVHHBFYTSSZLZ-IHWYPQMZSA-N 2 2 266.345 -0.393 20 0 CBADLP C[C@H](C[NH2+]CCO)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001268654016 827392158 /nfs/dbraw/zinc/39/21/58/827392158.db2.gz XGRPAOJHGBFJTN-MNOVXSKESA-N 2 2 266.345 -0.468 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N(C)CCC[NH2+]Cc1nnn(C)n1 ZINC001268959082 827444962 /nfs/dbraw/zinc/44/49/62/827444962.db2.gz UAHJZVKVAWVLMI-UHFFFAOYSA-N 2 2 297.407 -0.512 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N(C)CCC[NH2+]Cc1nnn(C)n1 ZINC001268959082 827444964 /nfs/dbraw/zinc/44/49/64/827444964.db2.gz UAHJZVKVAWVLMI-UHFFFAOYSA-N 2 2 297.407 -0.512 20 0 CBADLP CN(CC(=O)N1CC2(C1)C[NH+](Cc1ccc[nH]1)C2)C(N)=[NH2+] ZINC001268995789 827446314 /nfs/dbraw/zinc/44/63/14/827446314.db2.gz AXDRDPLQCFVFNX-UHFFFAOYSA-N 2 2 290.371 -0.516 20 0 CBADLP NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001269202978 827475822 /nfs/dbraw/zinc/47/58/22/827475822.db2.gz JKKCUWFSBFZICK-CYBMUJFWSA-N 2 2 296.415 -0.072 20 0 CBADLP NC(=O)C[N@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001269202978 827475829 /nfs/dbraw/zinc/47/58/29/827475829.db2.gz JKKCUWFSBFZICK-CYBMUJFWSA-N 2 2 296.415 -0.072 20 0 CBADLP CCOCC[N@@H+]1CC[C@@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001269320763 827493506 /nfs/dbraw/zinc/49/35/06/827493506.db2.gz ITCNEFNNOYCQCA-CQSZACIVSA-N 2 2 299.415 -0.064 20 0 CBADLP CCOCC[N@H+]1CC[C@@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001269320763 827493510 /nfs/dbraw/zinc/49/35/10/827493510.db2.gz ITCNEFNNOYCQCA-CQSZACIVSA-N 2 2 299.415 -0.064 20 0 CBADLP CC[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CC(=O)NC ZINC001269485696 827513610 /nfs/dbraw/zinc/51/36/10/827513610.db2.gz BKOYSQCEHZJTJK-SECBINFHSA-N 2 2 267.333 -0.817 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCC1([NH2+]CCCO)CC1 ZINC001269526804 827517034 /nfs/dbraw/zinc/51/70/34/827517034.db2.gz YYKPJPMNUIPDOS-UHFFFAOYSA-N 2 2 266.345 -0.119 20 0 CBADLP C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CO)n1cc[nH+]c1 ZINC001270398527 827563079 /nfs/dbraw/zinc/56/30/79/827563079.db2.gz AWBHKTBWNOTASF-GRYCIOLGSA-N 2 2 264.329 -0.279 20 0 CBADLP C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CO)n1cc[nH+]c1 ZINC001270398527 827563083 /nfs/dbraw/zinc/56/30/83/827563083.db2.gz AWBHKTBWNOTASF-GRYCIOLGSA-N 2 2 264.329 -0.279 20 0 CBADLP CC[N@H+](C)CC(=O)N1CC[C@H]2[C@@H]1CC[NH+]2CC(=O)N(C)C ZINC001271081308 827619859 /nfs/dbraw/zinc/61/98/59/827619859.db2.gz MXWMQKOQTSECFH-STQMWFEESA-N 2 2 296.415 -0.299 20 0 CBADLP CC[N@@H+](C)CC(=O)N1CC[C@H]2[C@@H]1CC[NH+]2CC(=O)N(C)C ZINC001271081308 827619860 /nfs/dbraw/zinc/61/98/60/827619860.db2.gz MXWMQKOQTSECFH-STQMWFEESA-N 2 2 296.415 -0.299 20 0 CBADLP CC[NH+](C)CC(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2CC(=O)N(C)C ZINC001271081308 827619861 /nfs/dbraw/zinc/61/98/61/827619861.db2.gz MXWMQKOQTSECFH-STQMWFEESA-N 2 2 296.415 -0.299 20 0 CBADLP CC[NH+](C)CC(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2CC(=O)N(C)C ZINC001271081308 827619863 /nfs/dbraw/zinc/61/98/63/827619863.db2.gz MXWMQKOQTSECFH-STQMWFEESA-N 2 2 296.415 -0.299 20 0 CBADLP C[N@@H+]1CCC12CN(C(=O)C1(O)CC[NH+](C)CC1)C2 ZINC001271802139 827727376 /nfs/dbraw/zinc/72/73/76/827727376.db2.gz QVFBLFRWGXMPMN-UHFFFAOYSA-N 2 2 253.346 -0.640 20 0 CBADLP C[N@H+]1CCC12CN(C(=O)C1(O)CC[NH+](C)CC1)C2 ZINC001271802139 827727380 /nfs/dbraw/zinc/72/73/80/827727380.db2.gz QVFBLFRWGXMPMN-UHFFFAOYSA-N 2 2 253.346 -0.640 20 0 CBADLP CC(C)[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CCO ZINC001271901603 827734538 /nfs/dbraw/zinc/73/45/38/827734538.db2.gz OTKXOTPYHHURRP-NSHDSACASA-N 2 2 254.334 -0.325 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)N(CCO)CC[NH2+]Cc1ccon1 ZINC001272129346 827760197 /nfs/dbraw/zinc/76/01/97/827760197.db2.gz FTVTVQJDOHVFAB-CYBMUJFWSA-N 2 2 296.371 -0.321 20 0 CBADLP COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CC3(CC[NH+]3C)C2)C1 ZINC001273084899 827862682 /nfs/dbraw/zinc/86/26/82/827862682.db2.gz COLXQUWJQUABCV-NSHDSACASA-N 2 2 281.356 -0.602 20 0 CBADLP COC(=O)[C@H]1CC[N@H+](CC(=O)N2CC3(CC[NH+]3C)C2)C1 ZINC001273084899 827862676 /nfs/dbraw/zinc/86/26/76/827862676.db2.gz COLXQUWJQUABCV-NSHDSACASA-N 2 2 281.356 -0.602 20 0 CBADLP COC(=O)[C@H]1CC[NH+](CC(=O)N2CC3(CC[N@@H+]3C)C2)C1 ZINC001273084899 827862688 /nfs/dbraw/zinc/86/26/88/827862688.db2.gz COLXQUWJQUABCV-NSHDSACASA-N 2 2 281.356 -0.602 20 0 CBADLP COC(=O)[C@H]1CC[NH+](CC(=O)N2CC3(CC[N@H+]3C)C2)C1 ZINC001273084899 827862698 /nfs/dbraw/zinc/86/26/98/827862698.db2.gz COLXQUWJQUABCV-NSHDSACASA-N 2 2 281.356 -0.602 20 0 CBADLP CCN(C)C(=O)C[NH2+]CC[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001273212500 827872877 /nfs/dbraw/zinc/87/28/77/827872877.db2.gz MVPAEIKYRAIOQV-GFCCVEGCSA-N 2 2 295.387 -0.154 20 0 CBADLP CCN(CC[NH2+]CCO)C(=O)CCn1cc[nH+]c1 ZINC001273533774 827909401 /nfs/dbraw/zinc/90/94/01/827909401.db2.gz HUJGVBIIHZFYSH-UHFFFAOYSA-N 2 2 254.334 -0.296 20 0 CBADLP CCN(CC[NH2+]C[C@H](C)O)C(=O)Cc1[nH]cc[nH+]1 ZINC001273681333 827917961 /nfs/dbraw/zinc/91/79/61/827917961.db2.gz QUYNXYLIGUGMLC-JTQLQIEISA-N 2 2 254.334 -0.229 20 0 CBADLP NC(=O)C[N@@H+]1CC[C@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001274061870 827962741 /nfs/dbraw/zinc/96/27/41/827962741.db2.gz JEJCRKSJKUUWDH-AWEZNQCLSA-N 2 2 291.355 -0.707 20 0 CBADLP NC(=O)C[N@H+]1CC[C@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001274061870 827962744 /nfs/dbraw/zinc/96/27/44/827962744.db2.gz JEJCRKSJKUUWDH-AWEZNQCLSA-N 2 2 291.355 -0.707 20 0 CBADLP Cn1c[nH+]cc1CN1CC[C@]2(CC[N@H+](CC(N)=O)C2)C1=O ZINC001274061973 827963210 /nfs/dbraw/zinc/96/32/10/827963210.db2.gz QDJMYYNXIIGONJ-AWEZNQCLSA-N 2 2 291.355 -0.670 20 0 CBADLP Cn1c[nH+]cc1CN1CC[C@]2(CC[N@@H+](CC(N)=O)C2)C1=O ZINC001274061973 827963217 /nfs/dbraw/zinc/96/32/17/827963217.db2.gz QDJMYYNXIIGONJ-AWEZNQCLSA-N 2 2 291.355 -0.670 20 0 CBADLP C[C@H]([NH2+]C/C=C\CNC(=O)CCc1[nH+]ccn1C)C(N)=O ZINC001274228378 827975276 /nfs/dbraw/zinc/97/52/76/827975276.db2.gz QABAKFDOMDBYTK-BYCRGOAPSA-N 2 2 293.371 -0.512 20 0 CBADLP C[C@H](O)C[NH2+]C/C=C/CNC(=O)Cc1c[nH]c[nH+]1 ZINC001274392999 827986257 /nfs/dbraw/zinc/98/62/57/827986257.db2.gz JAYRBWIZFMFNJY-PBKGFPTLSA-N 2 2 252.318 -0.405 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]C/C=C/CNC(=O)Cc1c[nH+]cn1C ZINC001274499613 827994359 /nfs/dbraw/zinc/99/43/59/827994359.db2.gz WJWDCGZLKCDXIE-ZWNMCFTASA-N 2 2 293.371 -0.641 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC/C=C/C[NH2+]CCCO ZINC001274630180 828014418 /nfs/dbraw/zinc/01/44/18/828014418.db2.gz DDQMAPGSHONADB-OWOJBTEDSA-N 2 2 252.318 -0.473 20 0 CBADLP CCC[C@@H](O)C[NH+]1CC2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001274635460 828014710 /nfs/dbraw/zinc/01/47/10/828014710.db2.gz LPTVTXUVMOASMG-CYBMUJFWSA-N 2 2 299.415 -0.378 20 0 CBADLP Cc1noc(C[NH2+]C[C@@H](C)NC(=O)CC[NH+](C)C)n1 ZINC001274906635 828039600 /nfs/dbraw/zinc/03/96/00/828039600.db2.gz IOFMXDYTDMKKCO-SECBINFHSA-N 2 2 269.349 -0.076 20 0 CBADLP C[NH+](C)CCN1CCO[C@H]2C[N@H+](Cc3ccncn3)C[C@@H]21 ZINC001275223827 828069012 /nfs/dbraw/zinc/06/90/12/828069012.db2.gz HVZUOQSFEFBSLZ-GJZGRUSLSA-N 2 2 291.399 -0.077 20 0 CBADLP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](Cc3ccncn3)C[C@@H]21 ZINC001275223827 828069016 /nfs/dbraw/zinc/06/90/16/828069016.db2.gz HVZUOQSFEFBSLZ-GJZGRUSLSA-N 2 2 291.399 -0.077 20 0 CBADLP C[NH+](C)CCN1CCO[C@H]2C[N@H+](Cc3ccnnc3)C[C@@H]21 ZINC001275880039 828119561 /nfs/dbraw/zinc/11/95/61/828119561.db2.gz UUJHKFUNFOZDET-GJZGRUSLSA-N 2 2 291.399 -0.077 20 0 CBADLP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](Cc3ccnnc3)C[C@@H]21 ZINC001275880039 828119565 /nfs/dbraw/zinc/11/95/65/828119565.db2.gz UUJHKFUNFOZDET-GJZGRUSLSA-N 2 2 291.399 -0.077 20 0 CBADLP C[C@H](O)C[NH+]1CC([C@H](C)NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001276440599 828146149 /nfs/dbraw/zinc/14/61/49/828146149.db2.gz ZYZUXSNGVXZVQR-UWVGGRQHSA-N 2 2 266.345 -0.231 20 0 CBADLP CCOCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001276825316 828162809 /nfs/dbraw/zinc/16/28/09/828162809.db2.gz YYVMCGWAQMQPIG-OLZOCXBDSA-N 2 2 285.388 -0.456 20 0 CBADLP CCOCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001276825316 828162813 /nfs/dbraw/zinc/16/28/13/828162813.db2.gz YYVMCGWAQMQPIG-OLZOCXBDSA-N 2 2 285.388 -0.456 20 0 CBADLP CCOCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001276825316 828162816 /nfs/dbraw/zinc/16/28/16/828162816.db2.gz YYVMCGWAQMQPIG-OLZOCXBDSA-N 2 2 285.388 -0.456 20 0 CBADLP CCOCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001276825316 828162818 /nfs/dbraw/zinc/16/28/18/828162818.db2.gz YYVMCGWAQMQPIG-OLZOCXBDSA-N 2 2 285.388 -0.456 20 0 CBADLP C[NH+](C)CCN1C[C@@H]2CC[N@H+](CCS(C)(=O)=O)[C@@H]2C1 ZINC001277588266 828196747 /nfs/dbraw/zinc/19/67/47/828196747.db2.gz ICZFRYWISRTCCN-QWHCGFSZSA-N 2 2 289.445 -0.401 20 0 CBADLP C[NH+](C)CCN1C[C@@H]2CC[N@@H+](CCS(C)(=O)=O)[C@@H]2C1 ZINC001277588266 828196752 /nfs/dbraw/zinc/19/67/52/828196752.db2.gz ICZFRYWISRTCCN-QWHCGFSZSA-N 2 2 289.445 -0.401 20 0 CBADLP C[NH+]1CC2(C1)CCCN(CC(=O)N1CC[NH+](C)CC1)C2 ZINC001277630802 828199963 /nfs/dbraw/zinc/19/99/63/828199963.db2.gz AIFQRWXWDQBRJM-UHFFFAOYSA-N 2 2 280.416 -0.212 20 0 CBADLP C[NH+](C)CCN1CC2(C1)C[NH+](CC(=O)NC1CC1)C2 ZINC001277630284 828199972 /nfs/dbraw/zinc/19/99/72/828199972.db2.gz HAIIILHMUGBGCW-UHFFFAOYSA-N 2 2 266.389 -0.556 20 0 CBADLP COCCOC[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@H+](C)C[C@@H]12 ZINC001277898766 828216396 /nfs/dbraw/zinc/21/63/96/828216396.db2.gz NRSBSXLFDMCXHI-STQMWFEESA-N 2 2 297.399 -0.251 20 0 CBADLP COCCOC[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]12 ZINC001277898766 828216403 /nfs/dbraw/zinc/21/64/03/828216403.db2.gz NRSBSXLFDMCXHI-STQMWFEESA-N 2 2 297.399 -0.251 20 0 CBADLP C[NH+](C)CCN1CCC2(C1)CC[NH+](CC(N)=O)CC2 ZINC001277982113 828226070 /nfs/dbraw/zinc/22/60/70/828226070.db2.gz UBEYAZFDPWXKSX-UHFFFAOYSA-N 2 2 268.405 -0.179 20 0 CBADLP CCNC(=O)C[N@H+]1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001278029625 828233338 /nfs/dbraw/zinc/23/33/38/828233338.db2.gz ZVPSMKNBGKPRNV-OLZOCXBDSA-N 2 2 284.404 -0.931 20 0 CBADLP CCNC(=O)C[N@@H+]1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001278029625 828233342 /nfs/dbraw/zinc/23/33/42/828233342.db2.gz ZVPSMKNBGKPRNV-OLZOCXBDSA-N 2 2 284.404 -0.931 20 0 CBADLP CCC[NH2+][C@H](CO)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001278093502 828245543 /nfs/dbraw/zinc/24/55/43/828245543.db2.gz MHRJFUFSEQJRTM-NSHDSACASA-N 2 2 254.334 -0.181 20 0 CBADLP CCC[NH2+][C@H](CO)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001278093502 828245549 /nfs/dbraw/zinc/24/55/49/828245549.db2.gz MHRJFUFSEQJRTM-NSHDSACASA-N 2 2 254.334 -0.181 20 0 CBADLP CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001278106384 828248687 /nfs/dbraw/zinc/24/86/87/828248687.db2.gz YADJBTNLZCDEMK-WDEREUQCSA-N 2 2 266.345 -0.468 20 0 CBADLP CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001278106382 828249530 /nfs/dbraw/zinc/24/95/30/828249530.db2.gz YADJBTNLZCDEMK-MNOVXSKESA-N 2 2 266.345 -0.468 20 0 CBADLP C[N@@H+]1CCC[C@@H](C[NH+]2C[C@@H]3C(C(N)=O)=NO[C@@H]3C2)C1 ZINC001278143380 828251926 /nfs/dbraw/zinc/25/19/26/828251926.db2.gz QJJWDFFBRYZWFR-OUAUKWLOSA-N 2 2 266.345 -0.500 20 0 CBADLP C[N@H+]1CCC[C@@H](C[NH+]2C[C@@H]3C(C(N)=O)=NO[C@@H]3C2)C1 ZINC001278143380 828251929 /nfs/dbraw/zinc/25/19/29/828251929.db2.gz QJJWDFFBRYZWFR-OUAUKWLOSA-N 2 2 266.345 -0.500 20 0 CBADLP C[NH+]1CCC[C@@H](C[N@H+]2C[C@@H]3C(C(N)=O)=NO[C@@H]3C2)C1 ZINC001278143380 828251931 /nfs/dbraw/zinc/25/19/31/828251931.db2.gz QJJWDFFBRYZWFR-OUAUKWLOSA-N 2 2 266.345 -0.500 20 0 CBADLP C[NH+]1CCC[C@@H](C[N@@H+]2C[C@@H]3C(C(N)=O)=NO[C@@H]3C2)C1 ZINC001278143380 828251934 /nfs/dbraw/zinc/25/19/34/828251934.db2.gz QJJWDFFBRYZWFR-OUAUKWLOSA-N 2 2 266.345 -0.500 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@@H](O)C[NH2+]CCF ZINC001278828287 828293264 /nfs/dbraw/zinc/29/32/64/828293264.db2.gz VBGXYENWULKIBC-JTQLQIEISA-N 2 2 272.324 -0.361 20 0 CBADLP Cn1cc[nH+]c1CCNC(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001347745130 890506491 /nfs/dbraw/zinc/50/64/91/890506491.db2.gz JUIQCQOJMJWASS-GXFFZTMASA-N 2 2 266.345 -0.466 20 0 CBADLP Cn1cc[nH+]c1CCNC(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001347745130 890506506 /nfs/dbraw/zinc/50/65/06/890506506.db2.gz JUIQCQOJMJWASS-GXFFZTMASA-N 2 2 266.345 -0.466 20 0 CBADLP C[C@H](C(=O)N1CC[C@H]([C@H](C)[NH3+])C1)[NH+]1CCN(C)CC1 ZINC001349417666 890810344 /nfs/dbraw/zinc/81/03/44/890810344.db2.gz IHMVSISANOEZPX-XQQFMLRXSA-N 2 2 268.405 -0.182 20 0 CBADLP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CC[NH+](C)CC1 ZINC001350733082 891033287 /nfs/dbraw/zinc/03/32/87/891033287.db2.gz QCGANOGZNFPGCD-RYUDHWBXSA-N 2 2 252.362 -0.851 20 0 CBADLP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CC[NH+](C)CC1 ZINC001350733082 891033297 /nfs/dbraw/zinc/03/32/97/891033297.db2.gz QCGANOGZNFPGCD-RYUDHWBXSA-N 2 2 252.362 -0.851 20 0 CBADLP O=C1C[C@H](CC[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)CN1 ZINC001350953921 891076931 /nfs/dbraw/zinc/07/69/31/891076931.db2.gz AEXWQXZEBSLYAV-SUHUHFCYSA-N 2 2 267.373 -0.131 20 0 CBADLP CC1(C)CNC(=O)[C@@H]1[NH2+]C1CC[NH+](CCO)CC1 ZINC000925829951 884606297 /nfs/dbraw/zinc/60/62/97/884606297.db2.gz HGGPPTMRVRVAOU-NSHDSACASA-N 2 2 255.362 -0.443 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N1CCC[C@H]([NH2+]CCCO)C1 ZINC001210305170 884761814 /nfs/dbraw/zinc/76/18/14/884761814.db2.gz TZSIVMYDNJFNCV-NSHDSACASA-N 2 2 266.345 -0.085 20 0 CBADLP CN(C(=O)Cc1c[nH+]cn1C)[C@@H](C[NH2+]CCO)C1CC1 ZINC001331348481 886781032 /nfs/dbraw/zinc/78/10/32/886781032.db2.gz SERAHGPFGIGIEY-ZDUSSCGKSA-N 2 2 280.372 -0.219 20 0 CBADLP C[NH2+][C@H](C)CCNC(=O)/C=C\C[NH+]1CCOCC1 ZINC001331673514 886899234 /nfs/dbraw/zinc/89/92/34/886899234.db2.gz FCHXSYIYWXXONS-VSQXVHSFSA-N 2 2 255.362 -0.011 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[C@@H](C[NH2+]CCO)C1 ZINC001332338547 887212166 /nfs/dbraw/zinc/21/21/66/887212166.db2.gz CUQAZJSENFFTLJ-NEPJUHHUSA-N 2 2 266.345 -0.250 20 0 CBADLP CNC(=O)C1([NH2+]CCn2cc[nH+]c2)CCOCC1 ZINC001332374916 887237548 /nfs/dbraw/zinc/23/75/48/887237548.db2.gz BISYMCHOJUEVJJ-UHFFFAOYSA-N 2 2 252.318 -0.232 20 0 CBADLP O[C@H](C[NH2+]CCn1cc[nH+]c1)C[C@@]1(O)CCOC1 ZINC001335304548 888492850 /nfs/dbraw/zinc/49/28/50/888492850.db2.gz SUTGJYXFWCUIET-RYUDHWBXSA-N 2 2 255.318 -0.625 20 0 CBADLP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@H]2CCC[N@H+](C)C2)CC1 ZINC001335369537 888517129 /nfs/dbraw/zinc/51/71/29/888517129.db2.gz WOCINOBTUWPAFX-CABCVRRESA-N 3 2 284.448 -0.474 20 0 CBADLP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC001335369537 888517132 /nfs/dbraw/zinc/51/71/32/888517132.db2.gz WOCINOBTUWPAFX-CABCVRRESA-N 3 2 284.448 -0.474 20 0 CBADLP C[C@@H]1CCN(CC[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)C1 ZINC001335986734 888665919 /nfs/dbraw/zinc/66/59/19/888665919.db2.gz PQIZSNXTXUZXBS-HUUCEWRRSA-N 2 2 284.448 -0.474 20 0 CBADLP C[C@@H](C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1)[NH+](C)C ZINC001335991324 888669137 /nfs/dbraw/zinc/66/91/37/888669137.db2.gz QMBQITOAEGSKAK-VHSXEESVSA-N 2 2 256.350 -0.998 20 0 CBADLP C[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1)[NH+](C)C ZINC001335991324 888669141 /nfs/dbraw/zinc/66/91/41/888669141.db2.gz QMBQITOAEGSKAK-VHSXEESVSA-N 2 2 256.350 -0.998 20 0 CBADLP [NH3+]C1(CNC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC001336239285 888724264 /nfs/dbraw/zinc/72/42/64/888724264.db2.gz GQZZGXFZVDUBON-LLVKDONJSA-N 2 2 268.361 -0.406 20 0 CBADLP C[C@H]([NH3+])CC(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC001336741137 888862196 /nfs/dbraw/zinc/86/21/96/888862196.db2.gz CKBYZUFXYVOFNP-LBPRGKRZSA-N 2 2 268.405 -0.038 20 0 CBADLP Cn1c[nH+]cc1CNC(=O)NCCN1CC[NH2+]CC1 ZINC001337942747 889100822 /nfs/dbraw/zinc/10/08/22/889100822.db2.gz KZRWMASRHHXRNO-UHFFFAOYSA-N 2 2 266.349 -0.876 20 0 CBADLP C[NH2+]C[C@@H](O)CN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001340748297 889479073 /nfs/dbraw/zinc/47/90/73/889479073.db2.gz OLKDHPDXPKIVOQ-LLVKDONJSA-N 2 2 268.361 -0.035 20 0 CBADLP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001341056096 889535303 /nfs/dbraw/zinc/53/53/03/889535303.db2.gz GXWPTRMCFMDGJZ-QWHCGFSZSA-N 3 2 268.405 -0.086 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C12CC(C1)C[NH2+]2 ZINC001341351550 889579267 /nfs/dbraw/zinc/57/92/67/889579267.db2.gz PNFFNZZNSUVWFV-UHFFFAOYSA-N 3 2 268.405 -0.262 20 0 CBADLP COC[C@H]1C[NH2+]CCN1C(=O)[C@@H](C)n1cc[nH+]c1 ZINC001341516998 889610891 /nfs/dbraw/zinc/61/08/91/889610891.db2.gz PVVZTPLFBBNPLE-GHMZBOCLSA-N 2 2 252.318 -0.109 20 0 CBADLP C[C@@]1(C(=O)NCC[NH+]2CCC([NH3+])CC2)CCC[NH2+]C1 ZINC001341689544 889648172 /nfs/dbraw/zinc/64/81/72/889648172.db2.gz APSCYWIPVVTONT-CQSZACIVSA-N 3 2 268.405 -0.085 20 0 CBADLP CC(C)(C(=O)N1CCO[C@@H](C[NH3+])C1)c1c[nH+]c[nH]1 ZINC001341752710 889656819 /nfs/dbraw/zinc/65/68/19/889656819.db2.gz NSJXCPASMFZIIQ-VIFPVBQESA-N 2 2 252.318 -0.127 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CC(CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001443612559 912243396 /nfs/dbraw/zinc/24/33/96/912243396.db2.gz HWFHQOAHTXYJDX-LLVKDONJSA-N 2 2 298.431 -0.114 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CC(CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001443612559 912243403 /nfs/dbraw/zinc/24/34/03/912243403.db2.gz HWFHQOAHTXYJDX-LLVKDONJSA-N 2 2 298.431 -0.114 20 0 CBADLP CNC(=O)C[NH+]1CC(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001443655714 912252632 /nfs/dbraw/zinc/25/26/32/912252632.db2.gz WTDZKFVPVKTTMR-UHFFFAOYSA-N 2 2 296.415 -0.344 20 0 CBADLP C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001342265567 889740302 /nfs/dbraw/zinc/74/03/02/889740302.db2.gz BPBZOKNFWWENGA-WDEREUQCSA-N 2 2 266.345 -0.516 20 0 CBADLP CC[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@H]1CCNC1=O ZINC001444016362 912327358 /nfs/dbraw/zinc/32/73/58/912327358.db2.gz XIZBQZGFPFLLCX-KOLCDFICSA-N 2 2 279.344 -0.675 20 0 CBADLP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NCC[NH+]2CCC([NH3+])CC2)C1 ZINC001342549718 889793223 /nfs/dbraw/zinc/79/32/23/889793223.db2.gz VXOBEAWDNLLCNY-ZKYQVNSYSA-N 3 2 266.389 -0.347 20 0 CBADLP COC[C@@H](O)C[NH2+]C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001444251940 912400521 /nfs/dbraw/zinc/40/05/21/912400521.db2.gz FOMZBKCQGBEMRL-OLZOCXBDSA-N 2 2 296.371 -0.529 20 0 CBADLP C[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)C[NH2+]CC(=O)N(C)C ZINC001444327010 912428038 /nfs/dbraw/zinc/42/80/38/912428038.db2.gz QZRXDNHSBITULU-LLVKDONJSA-N 2 2 295.387 -0.228 20 0 CBADLP C[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)C[NH2+]CC(=O)N(C)C ZINC001444327010 912428049 /nfs/dbraw/zinc/42/80/49/912428049.db2.gz QZRXDNHSBITULU-LLVKDONJSA-N 2 2 295.387 -0.228 20 0 CBADLP C[C@@H]([NH2+]C[C@@H](C)CNC(=O)CCc1[nH+]ccn1C)C(N)=O ZINC001444343908 912431970 /nfs/dbraw/zinc/43/19/70/912431970.db2.gz CZMVICPASMBNOM-GHMZBOCLSA-N 2 2 295.387 -0.432 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]C[C@@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001444392458 912440452 /nfs/dbraw/zinc/44/04/52/912440452.db2.gz RWNUASLMRZWVHN-GHMZBOCLSA-N 2 2 295.387 -0.561 20 0 CBADLP CNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)CCCn1cc[nH+]c1 ZINC001444736448 912496499 /nfs/dbraw/zinc/49/64/99/912496499.db2.gz YOJNMRPEIGNENP-LBPRGKRZSA-N 2 2 295.387 -0.154 20 0 CBADLP CNC(=O)C[N@H+](C)CCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001445013895 912542024 /nfs/dbraw/zinc/54/20/24/912542024.db2.gz WTWPXUYQUTVIJR-UHFFFAOYSA-N 2 2 296.415 -0.249 20 0 CBADLP CNC(=O)C[N@@H+](C)CCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001445013895 912542042 /nfs/dbraw/zinc/54/20/42/912542042.db2.gz WTWPXUYQUTVIJR-UHFFFAOYSA-N 2 2 296.415 -0.249 20 0 CBADLP C[C@H]1CC[N@H+](CC(=O)N(C)CC[NH+](C)CC(N)=O)C1 ZINC001445029473 912544917 /nfs/dbraw/zinc/54/49/17/912544917.db2.gz GNONTSPJCUWMMR-NSHDSACASA-N 2 2 270.377 -0.796 20 0 CBADLP C[C@H]1CC[N@@H+](CC(=O)N(C)CC[NH+](C)CC(N)=O)C1 ZINC001445029473 912544927 /nfs/dbraw/zinc/54/49/27/912544927.db2.gz GNONTSPJCUWMMR-NSHDSACASA-N 2 2 270.377 -0.796 20 0 CBADLP C[C@H]1CC[NH+](CC(=O)N(C)CC[N@H+](C)CC(N)=O)C1 ZINC001445029473 912544936 /nfs/dbraw/zinc/54/49/36/912544936.db2.gz GNONTSPJCUWMMR-NSHDSACASA-N 2 2 270.377 -0.796 20 0 CBADLP C[C@H]1CC[NH+](CC(=O)N(C)CC[N@@H+](C)CC(N)=O)C1 ZINC001445029473 912544951 /nfs/dbraw/zinc/54/49/51/912544951.db2.gz GNONTSPJCUWMMR-NSHDSACASA-N 2 2 270.377 -0.796 20 0 CBADLP CCNC(=O)C[N@H+](C)CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001445068917 912550024 /nfs/dbraw/zinc/55/00/24/912550024.db2.gz AHNWCTRNXCDSKC-UHFFFAOYSA-N 2 2 296.415 -0.392 20 0 CBADLP CCNC(=O)C[N@@H+](C)CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001445068917 912550040 /nfs/dbraw/zinc/55/00/40/912550040.db2.gz AHNWCTRNXCDSKC-UHFFFAOYSA-N 2 2 296.415 -0.392 20 0 CBADLP C[C@H](CC[NH2+][C@H]1CCN(C)C1=O)NC(=O)Cc1c[nH]c[nH+]1 ZINC001445297303 912626560 /nfs/dbraw/zinc/62/65/60/912626560.db2.gz AFAZACJXSKSSGG-PWSUYJOCSA-N 2 2 293.371 -0.333 20 0 CBADLP CCN(CC)C(=O)C[NH2+]C[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001445496410 912680252 /nfs/dbraw/zinc/68/02/52/912680252.db2.gz HBESMTCUNFBICB-GFCCVEGCSA-N 2 2 295.387 -0.154 20 0 CBADLP CCN(CC)C(=O)C[NH2+]C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001445617353 912711406 /nfs/dbraw/zinc/71/14/06/912711406.db2.gz NLORXSVFODMRDQ-NSHDSACASA-N 2 2 295.387 -0.085 20 0 CBADLP CC[N@H+](C)CCC(=O)NC[C@H]1CC[NH+]1[C@H]1CCCNC1=O ZINC001446124662 912814821 /nfs/dbraw/zinc/81/48/21/912814821.db2.gz HUFORNYDPPIMAB-OLZOCXBDSA-N 2 2 296.415 -0.203 20 0 CBADLP CC[N@@H+](C)CCC(=O)NC[C@H]1CC[NH+]1[C@H]1CCCNC1=O ZINC001446124662 912814824 /nfs/dbraw/zinc/81/48/24/912814824.db2.gz HUFORNYDPPIMAB-OLZOCXBDSA-N 2 2 296.415 -0.203 20 0 CBADLP CC[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+]1[C@H]1CCCNC1=O ZINC001446124662 912814842 /nfs/dbraw/zinc/81/48/42/912814842.db2.gz HUFORNYDPPIMAB-OLZOCXBDSA-N 2 2 296.415 -0.203 20 0 CBADLP CC[NH+](C)CCC(=O)NC[C@H]1CC[N@H+]1[C@H]1CCCNC1=O ZINC001446124662 912814858 /nfs/dbraw/zinc/81/48/58/912814858.db2.gz HUFORNYDPPIMAB-OLZOCXBDSA-N 2 2 296.415 -0.203 20 0 CBADLP CC[N@H+](C)CCC(=O)NC[C@@H]1CC[NH+]1[C@@H](C)C(=O)NC ZINC001446131779 912820407 /nfs/dbraw/zinc/82/04/07/912820407.db2.gz SCANIOIVVHHGAQ-RYUDHWBXSA-N 2 2 284.404 -0.347 20 0 CBADLP CC[N@@H+](C)CCC(=O)NC[C@@H]1CC[NH+]1[C@@H](C)C(=O)NC ZINC001446131779 912820422 /nfs/dbraw/zinc/82/04/22/912820422.db2.gz SCANIOIVVHHGAQ-RYUDHWBXSA-N 2 2 284.404 -0.347 20 0 CBADLP CC[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)NC ZINC001446131779 912820436 /nfs/dbraw/zinc/82/04/36/912820436.db2.gz SCANIOIVVHHGAQ-RYUDHWBXSA-N 2 2 284.404 -0.347 20 0 CBADLP CC[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+]1[C@@H](C)C(=O)NC ZINC001446131779 912820449 /nfs/dbraw/zinc/82/04/49/912820449.db2.gz SCANIOIVVHHGAQ-RYUDHWBXSA-N 2 2 284.404 -0.347 20 0 CBADLP CCn1ncc(C[NH2+]C2(CNC(=O)CC[NH+](C)C)CC2)n1 ZINC001446232579 912845353 /nfs/dbraw/zinc/84/53/53/912845353.db2.gz ZSSNSBJQTLXQJH-UHFFFAOYSA-N 2 2 294.403 -0.012 20 0 CBADLP CC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001090600258 884643841 /nfs/dbraw/zinc/64/38/41/884643841.db2.gz KJNOEZHGLVEEEE-QWRGUYRKSA-N 2 2 252.318 -0.477 20 0 CBADLP CC[N@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001090600258 884643844 /nfs/dbraw/zinc/64/38/44/884643844.db2.gz KJNOEZHGLVEEEE-QWRGUYRKSA-N 2 2 252.318 -0.477 20 0 CBADLP CC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](O)C1 ZINC001090600260 884645921 /nfs/dbraw/zinc/64/59/21/884645921.db2.gz KJNOEZHGLVEEEE-WDEREUQCSA-N 2 2 252.318 -0.477 20 0 CBADLP CC[N@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](O)C1 ZINC001090600260 884645929 /nfs/dbraw/zinc/64/59/29/884645929.db2.gz KJNOEZHGLVEEEE-WDEREUQCSA-N 2 2 252.318 -0.477 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCCC[NH2+]Cc1nncn1C ZINC001174681845 884682717 /nfs/dbraw/zinc/68/27/17/884682717.db2.gz BRICPYVKKKBTCD-UHFFFAOYSA-N 2 2 291.359 -0.315 20 0 CBADLP C[C@@H](CCCC[NH2+]CC(N)=O)NC(=O)Cc1[nH]cc[nH+]1 ZINC001175874450 884697172 /nfs/dbraw/zinc/69/71/72/884697172.db2.gz SYZSJHQKIVAMIK-JTQLQIEISA-N 2 2 281.360 -0.298 20 0 CBADLP CC[C@H]([NH2+]C[C@@H](C)NC(=O)Cn1cc[nH+]c1)C(N)=O ZINC001321760558 884831122 /nfs/dbraw/zinc/83/11/22/884831122.db2.gz RKRYZTDFVLJSRL-ZJUUUORDSA-N 2 2 267.333 -0.759 20 0 CBADLP [NH3+]CC(=O)NCC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001326040602 884882219 /nfs/dbraw/zinc/88/22/19/884882219.db2.gz AIWOUDORSPUYEE-VIFPVBQESA-N 2 2 265.317 -0.809 20 0 CBADLP CC(=O)N1CCN(C(=O)C[NH2+]CC2([NH3+])CCC2)CC1 ZINC001326309774 884979409 /nfs/dbraw/zinc/97/94/09/884979409.db2.gz QFTBHJCVYNXXHZ-UHFFFAOYSA-N 2 2 268.361 -0.852 20 0 CBADLP C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001326370027 885009438 /nfs/dbraw/zinc/00/94/38/885009438.db2.gz LHYQELOTGIFXAP-WDEREUQCSA-N 3 2 254.378 -0.382 20 0 CBADLP C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001326370027 885009446 /nfs/dbraw/zinc/00/94/46/885009446.db2.gz LHYQELOTGIFXAP-WDEREUQCSA-N 3 2 254.378 -0.382 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CC[C@@](C)(NC(=O)CCn2cc[nH+]c2)C1 ZINC001446540950 912901843 /nfs/dbraw/zinc/90/18/43/912901843.db2.gz KXEKUNYBAIMYOH-BXUZGUMPSA-N 2 2 293.371 -0.272 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CC[C@@](C)(NC(=O)CCn2cc[nH+]c2)C1 ZINC001446540950 912901854 /nfs/dbraw/zinc/90/18/54/912901854.db2.gz KXEKUNYBAIMYOH-BXUZGUMPSA-N 2 2 293.371 -0.272 20 0 CBADLP C[C@]1(C[NH2+]CC(N)=O)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001446620333 912914123 /nfs/dbraw/zinc/91/41/23/912914123.db2.gz SOTHDPCLHKXBID-CYBMUJFWSA-N 2 2 279.344 -0.803 20 0 CBADLP C[C@@]1(C[NH2+]CC(N)=O)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001446620339 912915923 /nfs/dbraw/zinc/91/59/23/912915923.db2.gz SOTHDPCLHKXBID-ZDUSSCGKSA-N 2 2 279.344 -0.803 20 0 CBADLP O=C(CCc1[nH]cc[nH+]1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC001327427541 885350341 /nfs/dbraw/zinc/35/03/41/885350341.db2.gz NJXSQASWWCWMLK-LLVKDONJSA-N 2 2 264.329 -0.380 20 0 CBADLP O=C(CCc1[nH]cc[nH+]1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC001327427541 885350359 /nfs/dbraw/zinc/35/03/59/885350359.db2.gz NJXSQASWWCWMLK-LLVKDONJSA-N 2 2 264.329 -0.380 20 0 CBADLP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC001327510712 885382422 /nfs/dbraw/zinc/38/24/22/885382422.db2.gz XZHVYORCZUFNBH-VHSXEESVSA-N 2 2 279.344 -0.962 20 0 CBADLP NC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[C@H]2[NH3+])C1 ZINC001327602252 885426640 /nfs/dbraw/zinc/42/66/40/885426640.db2.gz WUDINWIXFVZUCB-GARJFASQSA-N 2 2 268.361 -0.820 20 0 CBADLP NC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[C@H]2[NH3+])C1 ZINC001327602252 885426642 /nfs/dbraw/zinc/42/66/42/885426642.db2.gz WUDINWIXFVZUCB-GARJFASQSA-N 2 2 268.361 -0.820 20 0 CBADLP CN1CC[NH+](CCn2cc(CSCC[NH3+])nn2)CC1 ZINC001327781094 885473725 /nfs/dbraw/zinc/47/37/25/885473725.db2.gz FQEIXXQKCGQAPN-UHFFFAOYSA-N 2 2 284.433 -0.283 20 0 CBADLP CCNC(=O)C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC001327794370 885477163 /nfs/dbraw/zinc/47/71/63/885477163.db2.gz SJZKFKYIDDSSIA-LBPRGKRZSA-N 2 2 255.362 -0.035 20 0 CBADLP O=C(c1n[nH]c2c1C[NH2+]CC2)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC001328333830 885638035 /nfs/dbraw/zinc/63/80/35/885638035.db2.gz YDSKOVSGZPIHCS-KCJUWKMLSA-N 2 2 261.329 -0.511 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCC[C@H](C)[NH2+]CC(N)=O ZINC001328447558 885690385 /nfs/dbraw/zinc/69/03/85/885690385.db2.gz NKRWRNUCHUBTAM-QMMMGPOBSA-N 2 2 267.333 -0.770 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC2(O)C[NH+](CC3CC3)C2)C1 ZINC001446917847 912977256 /nfs/dbraw/zinc/97/72/56/912977256.db2.gz IUTTYKANKWMSOW-CYBMUJFWSA-N 2 2 297.399 -0.720 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)NCC2(O)C[NH+](CC3CC3)C2)C1 ZINC001446917847 912977265 /nfs/dbraw/zinc/97/72/65/912977265.db2.gz IUTTYKANKWMSOW-CYBMUJFWSA-N 2 2 297.399 -0.720 20 0 CBADLP [NH3+]CC1(NC(=O)NCCn2cc[nH+]c2)CCOCC1 ZINC001329046956 885900900 /nfs/dbraw/zinc/90/09/00/885900900.db2.gz DWLWBHLMNZGXJT-UHFFFAOYSA-N 2 2 267.333 -0.310 20 0 CBADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC001329115979 885935540 /nfs/dbraw/zinc/93/55/40/885935540.db2.gz OQDKXRFAWYDXNX-GHMZBOCLSA-N 2 2 291.355 -0.786 20 0 CBADLP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C[NH2+]CC(N)=O ZINC001446968852 912991455 /nfs/dbraw/zinc/99/14/55/912991455.db2.gz SXCCAQANVOWUTB-MNOVXSKESA-N 2 2 293.371 -0.488 20 0 CBADLP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C[NH2+]CC(N)=O ZINC001446968852 912991459 /nfs/dbraw/zinc/99/14/59/912991459.db2.gz SXCCAQANVOWUTB-MNOVXSKESA-N 2 2 293.371 -0.488 20 0 CBADLP O=C1NCCO[C@@H]2CCC[N@H+](C[C@@H]3CCC[NH2+]C3)[C@H]12 ZINC001329315509 886010991 /nfs/dbraw/zinc/01/09/91/886010991.db2.gz HOJKZRNHCPMYNF-UPJWGTAASA-N 2 2 267.373 -0.035 20 0 CBADLP O=C1NCCO[C@@H]2CCC[N@@H+](C[C@@H]3CCC[NH2+]C3)[C@H]12 ZINC001329315509 886010999 /nfs/dbraw/zinc/01/09/99/886010999.db2.gz HOJKZRNHCPMYNF-UPJWGTAASA-N 2 2 267.373 -0.035 20 0 CBADLP C[C@H]([NH3+])[C@H](C)C(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001329564474 886123668 /nfs/dbraw/zinc/12/36/68/886123668.db2.gz NJETVDFSZPNTCN-GUBZILKMSA-N 2 2 256.350 -0.964 20 0 CBADLP C[C@H]([NH3+])[C@H](C)C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001329564474 886123688 /nfs/dbraw/zinc/12/36/88/886123688.db2.gz NJETVDFSZPNTCN-GUBZILKMSA-N 2 2 256.350 -0.964 20 0 CBADLP C[C@H](C(=O)NC[C@H]1C[NH2+]CCCO1)n1cc[nH+]c1 ZINC001329567757 886125385 /nfs/dbraw/zinc/12/53/85/886125385.db2.gz AWKYAWRNPBKASZ-GHMZBOCLSA-N 2 2 252.318 -0.061 20 0 CBADLP CC[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1cnn(C)c1 ZINC001329578456 886130161 /nfs/dbraw/zinc/13/01/61/886130161.db2.gz COMZTNJNCSJEIQ-UHFFFAOYSA-N 2 2 265.361 -0.326 20 0 CBADLP CC[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1cnn(C)c1 ZINC001329578456 886130172 /nfs/dbraw/zinc/13/01/72/886130172.db2.gz COMZTNJNCSJEIQ-UHFFFAOYSA-N 2 2 265.361 -0.326 20 0 CBADLP CC[NH+]1CC(CCO)(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001329707521 886181921 /nfs/dbraw/zinc/18/19/21/886181921.db2.gz JAANMGVHWBRWIU-LBPRGKRZSA-N 2 2 269.389 -0.099 20 0 CBADLP CC[NH+]1CC(CCO)(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001329707521 886181926 /nfs/dbraw/zinc/18/19/26/886181926.db2.gz JAANMGVHWBRWIU-LBPRGKRZSA-N 2 2 269.389 -0.099 20 0 CBADLP C[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)CC1 ZINC001329747187 886193798 /nfs/dbraw/zinc/19/37/98/886193798.db2.gz UEOGMLUVESHMRP-WFASDCNBSA-N 2 2 294.399 -0.652 20 0 CBADLP C[C@@H]([NH2+]CC[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1)C(N)=O ZINC001447093639 913021377 /nfs/dbraw/zinc/02/13/77/913021377.db2.gz WAMCPSNHGBEHBX-MNOVXSKESA-N 2 2 293.371 -0.346 20 0 CBADLP CC[C@H](C(N)=O)[N@H+](C)CCCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001447355156 913063341 /nfs/dbraw/zinc/06/33/41/913063341.db2.gz BFMUBAXCDMFFRS-GFCCVEGCSA-N 2 2 295.387 -0.004 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+](C)CCCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001447355156 913063354 /nfs/dbraw/zinc/06/33/54/913063354.db2.gz BFMUBAXCDMFFRS-GFCCVEGCSA-N 2 2 295.387 -0.004 20 0 CBADLP CN(CCC[N@H+](C)[C@H]1CCNC1=O)C(=O)Cn1cc[nH+]c1 ZINC001447378937 913070033 /nfs/dbraw/zinc/07/00/33/913070033.db2.gz YNAOLHYUIDRHPN-LBPRGKRZSA-N 2 2 293.371 -0.448 20 0 CBADLP CN(CCC[N@@H+](C)[C@H]1CCNC1=O)C(=O)Cn1cc[nH+]c1 ZINC001447378937 913070047 /nfs/dbraw/zinc/07/00/47/913070047.db2.gz YNAOLHYUIDRHPN-LBPRGKRZSA-N 2 2 293.371 -0.448 20 0 CBADLP CN(CCCn1cc[nH+]c1)C(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001331194644 886724110 /nfs/dbraw/zinc/72/41/10/886724110.db2.gz CECOJVWMJIQUJX-HAQNSBGRSA-N 2 2 293.371 -0.415 20 0 CBADLP C[C@H]([NH3+])CCNC(=O)C(=O)NCCCNc1cccc[nH+]1 ZINC001331317598 886773244 /nfs/dbraw/zinc/77/32/44/886773244.db2.gz APNFCLKKNLKSSG-NSHDSACASA-N 2 2 293.371 -0.147 20 0 CBADLP COCC[C@H]([NH3+])C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC001331322175 886777323 /nfs/dbraw/zinc/77/73/23/886777323.db2.gz KGSNSSPTKLMYPS-QWRGUYRKSA-N 2 2 259.350 -0.813 20 0 CBADLP COCC[C@H]([NH3+])C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC001331322175 886777328 /nfs/dbraw/zinc/77/73/28/886777328.db2.gz KGSNSSPTKLMYPS-QWRGUYRKSA-N 2 2 259.350 -0.813 20 0 CBADLP C[C@H](C(=O)NCCC(C)(C)[NH3+])N1CC[NH2+]CC1=O ZINC001331403054 886793715 /nfs/dbraw/zinc/79/37/15/886793715.db2.gz HGDMUWFMHLYLKI-SECBINFHSA-N 2 2 256.350 -0.950 20 0 CBADLP CNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001331564932 886847744 /nfs/dbraw/zinc/84/77/44/886847744.db2.gz NUWOANTVAYFSRM-VIFPVBQESA-N 2 2 267.333 -0.865 20 0 CBADLP C[S@@](=O)C1(C(=O)NCCCn2cc[nH+]c2)CC[NH2+]CC1 ZINC001331693294 886914489 /nfs/dbraw/zinc/91/44/89/886914489.db2.gz YOPZCRQRSJEAOS-HXUWFJFHSA-N 2 2 298.412 -0.110 20 0 CBADLP C[C@H]([NH3+])CCNC(=O)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC001331957633 887060303 /nfs/dbraw/zinc/06/03/03/887060303.db2.gz MHCGSLIGHZMBIW-WDEREUQCSA-N 2 2 293.371 -0.411 20 0 CBADLP CON1CC[C@@H]([NH+]2CCN([C@H]3CC[NH2+]C3)CC2)C1=O ZINC001331965654 887068031 /nfs/dbraw/zinc/06/80/31/887068031.db2.gz KCFJLXQUEYVJKJ-NWDGAFQWSA-N 2 2 268.361 -0.872 20 0 CBADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21 ZINC001332239644 887167754 /nfs/dbraw/zinc/16/77/54/887167754.db2.gz VVWGHVUBBHOXGK-QNWHQSFQSA-N 2 2 267.373 -0.179 20 0 CBADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21 ZINC001332239644 887167765 /nfs/dbraw/zinc/16/77/65/887167765.db2.gz VVWGHVUBBHOXGK-QNWHQSFQSA-N 2 2 267.373 -0.179 20 0 CBADLP Cn1cc([C@H](O)C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)cn1 ZINC001332358726 887224199 /nfs/dbraw/zinc/22/41/99/887224199.db2.gz LDQHMXSEAZQXAT-CHWSQXEVSA-N 2 2 268.361 -0.502 20 0 CBADLP Cn1cc([C@H](O)C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)cn1 ZINC001332358726 887224216 /nfs/dbraw/zinc/22/42/16/887224216.db2.gz LDQHMXSEAZQXAT-CHWSQXEVSA-N 2 2 268.361 -0.502 20 0 CBADLP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2nnc3n2CCNC3=O)C1 ZINC001332421760 887275768 /nfs/dbraw/zinc/27/57/68/887275768.db2.gz SENUQTJXORKUME-BDAKNGLRSA-N 2 2 264.333 -0.619 20 0 CBADLP COC[C@@H](O)C[NH2+]CC1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001447826166 913133253 /nfs/dbraw/zinc/13/32/53/913133253.db2.gz ZHTYTUNLJGCVMI-MCIGGMRASA-N 2 2 296.371 -0.556 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@H](N3C(=O)N[C@H](CO)C3=O)C2)CC1 ZINC001332846897 887449137 /nfs/dbraw/zinc/44/91/37/887449137.db2.gz APMNUKHBMNLEJQ-NWDGAFQWSA-N 2 2 296.371 -0.932 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@H](N3C(=O)N[C@H](CO)C3=O)C2)CC1 ZINC001332846897 887449146 /nfs/dbraw/zinc/44/91/46/887449146.db2.gz APMNUKHBMNLEJQ-NWDGAFQWSA-N 2 2 296.371 -0.932 20 0 CBADLP CCOCC[NH+]1CCN(C(=O)c2cnc(C[NH3+])nc2)CC1 ZINC001332976968 887492843 /nfs/dbraw/zinc/49/28/43/887492843.db2.gz VAIURMFXPFLHPV-UHFFFAOYSA-N 2 2 293.371 -0.270 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NCC1=CC[N@H+](CC(N)=O)CC1 ZINC001333448490 887644391 /nfs/dbraw/zinc/64/43/91/887644391.db2.gz SSPGJBJWSSSPDV-UHFFFAOYSA-N 2 2 291.355 -0.575 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NCC1=CC[N@@H+](CC(N)=O)CC1 ZINC001333448490 887644405 /nfs/dbraw/zinc/64/44/05/887644405.db2.gz SSPGJBJWSSSPDV-UHFFFAOYSA-N 2 2 291.355 -0.575 20 0 CBADLP CC(=O)N1CCC[C@H](C[NH2+][C@H]2C[NH2+]CCOC2)C1 ZINC001333597939 887710502 /nfs/dbraw/zinc/71/05/02/887710502.db2.gz SAPQEPQWNWWRRD-OLZOCXBDSA-N 2 2 255.362 -0.177 20 0 CBADLP O=C1CC2(CN1)CC[NH+](C[C@H]1C[NH2+]CCO1)CC2 ZINC001333623380 887719623 /nfs/dbraw/zinc/71/96/23/887719623.db2.gz YILZQFXAJJCUTQ-LLVKDONJSA-N 2 2 253.346 -0.423 20 0 CBADLP OC1CC[NH+](Cc2cn([C@H]3CC[NH2+]C3)nn2)CC1 ZINC001333895282 887803436 /nfs/dbraw/zinc/80/34/36/887803436.db2.gz YWYRFHHOIBFFFZ-NSHDSACASA-N 2 2 251.334 -0.231 20 0 CBADLP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1nnc2c(=O)n(C)ccn12 ZINC001334391544 887949238 /nfs/dbraw/zinc/94/92/38/887949238.db2.gz VGWSROKGIIUEDO-BDAKNGLRSA-N 2 2 264.333 -0.357 20 0 CBADLP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1nnc2n1CCNC2=O ZINC001334391711 887949660 /nfs/dbraw/zinc/94/96/60/887949660.db2.gz XZDGVRRWNQFBBQ-RKDXNWHRSA-N 2 2 264.333 -0.762 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NC1(CCO)C[NH+](C[C@H](C)O)C1 ZINC001448178200 913251624 /nfs/dbraw/zinc/25/16/24/913251624.db2.gz MSRWJWUUBFKPST-LBPRGKRZSA-N 2 2 296.371 -0.875 20 0 CBADLP COC[C@H](C)[NH+]1CC(CCO)(NC(=O)CC[NH+](C)C)C1 ZINC001448187604 913256205 /nfs/dbraw/zinc/25/62/05/913256205.db2.gz KFTUNSJIPWLTEF-LBPRGKRZSA-N 2 2 287.404 -0.474 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)NC2CC[NH2+]CC2)CC1 ZINC001335583537 888569089 /nfs/dbraw/zinc/56/90/89/888569089.db2.gz GBTFWROSKHZWQH-UHFFFAOYSA-N 3 2 269.393 -0.539 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC001335623897 888586198 /nfs/dbraw/zinc/58/61/98/888586198.db2.gz XPSFSIAQAMKZOK-LBPRGKRZSA-N 3 2 269.393 -0.458 20 0 CBADLP C[C@@H]1CCN(CC[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)C1 ZINC001335986732 888666666 /nfs/dbraw/zinc/66/66/66/888666666.db2.gz PQIZSNXTXUZXBS-CABCVRRESA-N 2 2 284.448 -0.474 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CC([C@H](C)NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001448299224 913274692 /nfs/dbraw/zinc/27/46/92/913274692.db2.gz FQGHWJHISRFONZ-WDEREUQCSA-N 2 2 296.415 -0.219 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CC([C@H](C)NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001448299224 913274711 /nfs/dbraw/zinc/27/47/11/913274711.db2.gz FQGHWJHISRFONZ-WDEREUQCSA-N 2 2 296.415 -0.219 20 0 CBADLP C[C@@H](CC[NH3+])NC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001336124291 888702069 /nfs/dbraw/zinc/70/20/69/888702069.db2.gz KTQBBFMVWQFEPK-JTQLQIEISA-N 3 2 257.382 -0.554 20 0 CBADLP NC(=O)NC(=O)CC[NH2+]C[C@H]1CC[N@@H+]1C1CCOCC1 ZINC001336150347 888706033 /nfs/dbraw/zinc/70/60/33/888706033.db2.gz FADGPBLEIHEQEY-LLVKDONJSA-N 2 2 284.360 -0.586 20 0 CBADLP NC(=O)NC(=O)CC[NH2+]C[C@H]1CC[N@H+]1C1CCOCC1 ZINC001336150347 888706042 /nfs/dbraw/zinc/70/60/42/888706042.db2.gz FADGPBLEIHEQEY-LLVKDONJSA-N 2 2 284.360 -0.586 20 0 CBADLP O=C(C[NH+]1CCC(CO)CC1)NCCn1cc[nH+]c1 ZINC001336273147 888734435 /nfs/dbraw/zinc/73/44/35/888734435.db2.gz MSEBHLZGNJZISP-UHFFFAOYSA-N 2 2 266.345 -0.296 20 0 CBADLP C[C@H](NC(=O)C1([NH+](C)C)CCC1)C1C[NH+](CC(N)=O)C1 ZINC001448299106 913274601 /nfs/dbraw/zinc/27/46/01/913274601.db2.gz FESHPHMJEJONAZ-JTQLQIEISA-N 2 2 282.388 -0.608 20 0 CBADLP [NH3+][C@H]1CCCN(C(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001336632769 888825121 /nfs/dbraw/zinc/82/51/21/888825121.db2.gz ZFCBFFRFGSTJAV-QWRGUYRKSA-N 2 2 291.355 -0.736 20 0 CBADLP NC(=O)C[N@@H+]1CCC[C@H](NC(=O)CC[NH2+]CC2CC2)C1 ZINC001336723547 888854972 /nfs/dbraw/zinc/85/49/72/888854972.db2.gz XFZIJPLELIXFCD-LBPRGKRZSA-N 2 2 282.388 -0.558 20 0 CBADLP NC(=O)C[N@H+]1CCC[C@H](NC(=O)CC[NH2+]CC2CC2)C1 ZINC001336723547 888854979 /nfs/dbraw/zinc/85/49/79/888854979.db2.gz XFZIJPLELIXFCD-LBPRGKRZSA-N 2 2 282.388 -0.558 20 0 CBADLP COC[C@H](C)OC[C@@H](O)C[NH2+][C@@H]1Cc2c[nH+]cn2C1 ZINC001336827727 888893746 /nfs/dbraw/zinc/89/37/46/888893746.db2.gz AZJBPVGWTDDSLM-LOWVWBTDSA-N 2 2 269.345 -0.190 20 0 CBADLP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)C(=O)NCCF ZINC001336832522 888894559 /nfs/dbraw/zinc/89/45/59/888894559.db2.gz XIMOXCCFXSVOJR-MNOVXSKESA-N 2 2 261.341 -0.493 20 0 CBADLP CC[C@@H]([NH3+])CNC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001336910285 888919808 /nfs/dbraw/zinc/91/98/08/888919808.db2.gz TXBIRLVZKBGZHG-SNVBAGLBSA-N 3 2 257.382 -0.554 20 0 CBADLP Cn1c[nH+]cc1CNC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC001337992707 889105452 /nfs/dbraw/zinc/10/54/52/889105452.db2.gz KPSJPKUDMIUGPY-JTQLQIEISA-N 2 2 253.306 -0.711 20 0 CBADLP CC(C)[C@@H](CCNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@H](C)C(N)=O ZINC001448558504 913316145 /nfs/dbraw/zinc/31/61/45/913316145.db2.gz NTAHLNKLNNTUJN-ZYHUDNBSSA-N 2 2 295.387 -0.054 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCCCON)C2)CC1 ZINC001338535425 889173910 /nfs/dbraw/zinc/17/39/10/889173910.db2.gz LGUKPMOUHJAEAX-GFCCVEGCSA-N 2 2 299.419 -0.266 20 0 CBADLP C[C@H]1CN(C(=O)C[NH+]2CCC(CO)CC2)CC[N@H+]1C ZINC001338876822 889213043 /nfs/dbraw/zinc/21/30/43/889213043.db2.gz HSIDUAAOUWEGCS-LBPRGKRZSA-N 2 2 269.389 -0.147 20 0 CBADLP C[NH+](C)C[C@H]1NC(=O)N([C@H]2CCn3cc[nH+]c3C2)C1=O ZINC001339977722 889355458 /nfs/dbraw/zinc/35/54/58/889355458.db2.gz CEDAUKKEFNKAFX-VHSXEESVSA-N 2 2 277.328 -0.320 20 0 CBADLP C[C@@]1(C(=O)NCCCn2cc[nH+]c2)C[C@H](O)C[NH2+]1 ZINC001340011395 889363980 /nfs/dbraw/zinc/36/39/80/889363980.db2.gz IHUQVFKQXBAPHE-JQWIXIFHSA-N 2 2 252.318 -0.498 20 0 CBADLP C[C@]1(C(=O)NCCCCn2cc[nH+]c2)C[C@@H](O)C[NH2+]1 ZINC001340055455 889373271 /nfs/dbraw/zinc/37/32/71/889373271.db2.gz AEEOQWINGYLORH-DGCLKSJQSA-N 2 2 266.345 -0.108 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@@H](C)CN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001448662866 913340379 /nfs/dbraw/zinc/34/03/79/913340379.db2.gz BDPLZDRRGZHRGL-QWRGUYRKSA-N 2 2 295.387 -0.087 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@@H](C)CN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001448662866 913340396 /nfs/dbraw/zinc/34/03/96/913340396.db2.gz BDPLZDRRGZHRGL-QWRGUYRKSA-N 2 2 295.387 -0.087 20 0 CBADLP C[NH2+]C[C@@H](O)[C@H](C)C(=O)NCCCCn1cc[nH+]c1 ZINC001340183680 889404537 /nfs/dbraw/zinc/40/45/37/889404537.db2.gz KKQBMQXWYKYJMZ-NWDGAFQWSA-N 2 2 268.361 -0.004 20 0 CBADLP O=C(NC[C@@H]1C[NH2+]CCO1)[C@@H]1[NH2+]CCc2occc21 ZINC001340471346 889436782 /nfs/dbraw/zinc/43/67/82/889436782.db2.gz KAIVTFUNDOLTHH-JOYOIKCWSA-N 2 2 265.313 -0.429 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NC1CC[NH+](C)CC1 ZINC001340655785 889462403 /nfs/dbraw/zinc/46/24/03/889462403.db2.gz FGALJDRSBRDERA-LLVKDONJSA-N 2 2 293.371 -0.402 20 0 CBADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1C[C@@H]1C[NH3+] ZINC001340938893 889516975 /nfs/dbraw/zinc/51/69/75/889516975.db2.gz AOBVYRYVNVRAKT-GRYCIOLGSA-N 2 2 255.362 -0.192 20 0 CBADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]1C[C@@H]1C[NH3+] ZINC001340938893 889516982 /nfs/dbraw/zinc/51/69/82/889516982.db2.gz AOBVYRYVNVRAKT-GRYCIOLGSA-N 2 2 255.362 -0.192 20 0 CBADLP C[NH2+]C1CC(C(=O)NCC[NH+]2CCC([NH3+])CC2)C1 ZINC001340943859 889518563 /nfs/dbraw/zinc/51/85/63/889518563.db2.gz VDMGXXNURKLAAL-UHFFFAOYSA-N 3 2 254.378 -0.476 20 0 CBADLP O=C(NCCCCC[NH+]1CCNCC1)[C@H]1C[NH2+]CCO1 ZINC001341190679 889557264 /nfs/dbraw/zinc/55/72/64/889557264.db2.gz IVMOMBGRDVTWAC-CYBMUJFWSA-N 2 2 284.404 -0.834 20 0 CBADLP O=C([C@@H]1[NH2+]CCc2occc21)N1CCNCC[NH2+]CC1 ZINC001341224524 889562553 /nfs/dbraw/zinc/56/25/53/889562553.db2.gz VHDUVHQPYHBGDX-CYBMUJFWSA-N 2 2 278.356 -0.512 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C12CC(C1)C[NH2+]2 ZINC001341351550 889579262 /nfs/dbraw/zinc/57/92/62/889579262.db2.gz PNFFNZZNSUVWFV-UHFFFAOYSA-N 3 2 268.405 -0.262 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001341660169 889643015 /nfs/dbraw/zinc/64/30/15/889643015.db2.gz ULMRVIQBHLSYQS-NEPJUHHUSA-N 2 2 293.371 -0.415 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC001341660173 889643102 /nfs/dbraw/zinc/64/31/02/889643102.db2.gz ULMRVIQBHLSYQS-VXGBXAGGSA-N 2 2 293.371 -0.415 20 0 CBADLP O=C(N1CC[NH+](CCO)CC1)[C@]12CC[C@H]1C[NH2+]C2 ZINC001341789549 889663225 /nfs/dbraw/zinc/66/32/25/889663225.db2.gz YZRYOHLKPRCNGY-AAEUAGOBSA-N 2 2 253.346 -0.878 20 0 CBADLP COCCOCC[NH+]1CCN(C(=O)CC2CC([NH3+])C2)CC1 ZINC001342069130 889705985 /nfs/dbraw/zinc/70/59/85/889705985.db2.gz LQCLWXMWGCMFKE-UHFFFAOYSA-N 2 2 299.415 -0.079 20 0 CBADLP C[C@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+]CCn1cncn1 ZINC001448786769 913385966 /nfs/dbraw/zinc/38/59/66/913385966.db2.gz BLXIAVRVGUFJDX-GFCCVEGCSA-N 2 2 291.359 -0.389 20 0 CBADLP C[C@H]1[NH2+]CC[C@@H]1C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001342462149 889781756 /nfs/dbraw/zinc/78/17/56/889781756.db2.gz PUOBNECXCBLEDZ-PWSUYJOCSA-N 3 2 254.378 -0.476 20 0 CBADLP C[N@@H+]1CC[C@@](O)(CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001342496106 889784990 /nfs/dbraw/zinc/78/49/90/889784990.db2.gz NQPOVRDKJIJUDX-GFCCVEGCSA-N 2 2 252.318 -0.475 20 0 CBADLP C[N@H+]1CC[C@@](O)(CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001342496106 889784997 /nfs/dbraw/zinc/78/49/97/889784997.db2.gz NQPOVRDKJIJUDX-GFCCVEGCSA-N 2 2 252.318 -0.475 20 0 CBADLP Cc1c[nH+]c2cc(C(=O)NC[C@H](CO)[NH2+]CCO)ccn12 ZINC001448831449 913416451 /nfs/dbraw/zinc/41/64/51/913416451.db2.gz ATSQGCPIXJQNNN-GFCCVEGCSA-N 2 2 292.339 -0.685 20 0 CBADLP CN(C(=O)C[C@H]([NH3+])C(F)F)C1(C[NH3+])CCOCC1 ZINC001345358418 890121275 /nfs/dbraw/zinc/12/12/75/890121275.db2.gz KWMIIJFNLHZJKV-QMMMGPOBSA-N 2 2 265.304 -0.065 20 0 CBADLP C[NH+](C)C1(C[NH2+]CCC(=O)NC(N)=O)CCOCC1 ZINC001346225466 890244521 /nfs/dbraw/zinc/24/45/21/890244521.db2.gz OZYWRLDNANREPT-UHFFFAOYSA-N 2 2 272.349 -0.728 20 0 CBADLP CC(C)[NH2+][C@@H](CO)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001448863438 913430820 /nfs/dbraw/zinc/43/08/20/913430820.db2.gz VBZWGLPCRPVWGW-NWDGAFQWSA-N 2 2 280.372 -0.079 20 0 CBADLP CCOCC[C@H](O)C[NH2+][C@@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC001346251246 890250943 /nfs/dbraw/zinc/25/09/43/890250943.db2.gz KQWITVGHKRMMGA-IHRRRGAJSA-N 2 2 273.421 -0.002 20 0 CBADLP CCOCC[C@H](O)C[NH2+][C@@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC001346251246 890250961 /nfs/dbraw/zinc/25/09/61/890250961.db2.gz KQWITVGHKRMMGA-IHRRRGAJSA-N 2 2 273.421 -0.002 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC001346708516 890342968 /nfs/dbraw/zinc/34/29/68/890342968.db2.gz OHUOQBBBFXOJTE-CYBMUJFWSA-N 2 2 268.361 -0.219 20 0 CBADLP CN(CCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)Cc1[nH]cc[nH+]1 ZINC001448888640 913442913 /nfs/dbraw/zinc/44/29/13/913442913.db2.gz ZLCTWDPSJIFVCN-NSHDSACASA-N 2 2 293.371 -0.522 20 0 CBADLP CN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)Cc1[nH]cc[nH+]1 ZINC001448888640 913442918 /nfs/dbraw/zinc/44/29/18/913442918.db2.gz ZLCTWDPSJIFVCN-NSHDSACASA-N 2 2 293.371 -0.522 20 0 CBADLP [NH3+]CCCCNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC001347062230 890396696 /nfs/dbraw/zinc/39/66/96/890396696.db2.gz ZRUUHZFCFROVTM-LBPRGKRZSA-N 2 2 270.377 -0.159 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC001347136942 890413221 /nfs/dbraw/zinc/41/32/21/890413221.db2.gz ABFHLCMQNAUBRX-LLVKDONJSA-N 2 2 266.345 -0.465 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC001347136942 890413231 /nfs/dbraw/zinc/41/32/31/890413231.db2.gz ABFHLCMQNAUBRX-LLVKDONJSA-N 2 2 266.345 -0.465 20 0 CBADLP C[C@@H](C(=O)N1CC[C@](O)(C[NH+](C)C)C1)n1cc[nH+]c1 ZINC001347930546 890536406 /nfs/dbraw/zinc/53/64/06/890536406.db2.gz GXCRTSVAXSIDKE-AAEUAGOBSA-N 2 2 266.345 -0.031 20 0 CBADLP COC[C@@H](C)[NH2+][C@@H](CO)CNC(=O)Cc1c[nH+]cn1C ZINC001448947971 913467284 /nfs/dbraw/zinc/46/72/84/913467284.db2.gz OUZQRTDWSMZZTD-GHMZBOCLSA-N 2 2 284.360 -0.936 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@H](CO)[NH2+]Cc1cccnc1 ZINC001448959733 913469756 /nfs/dbraw/zinc/46/97/56/913469756.db2.gz XBNNCFJNLWNOMS-CYBMUJFWSA-N 2 2 289.339 -0.455 20 0 CBADLP CNC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@@H]1C ZINC001448985932 913477779 /nfs/dbraw/zinc/47/77/79/913477779.db2.gz WECNXWUBSAAIKE-PWSUYJOCSA-N 2 2 293.371 -0.712 20 0 CBADLP Cc1cc(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)no1 ZINC001348957664 890737406 /nfs/dbraw/zinc/73/74/06/890737406.db2.gz LBPZEJCRYUOTFR-CYBMUJFWSA-N 2 2 268.361 -0.319 20 0 CBADLP C[N@H+]1[C@@H]2CC[C@H]1CC([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)C2 ZINC001348973477 890741522 /nfs/dbraw/zinc/74/15/22/890741522.db2.gz RPHOOLLLEWIHIW-UYTSQGDYSA-N 3 2 296.459 -0.191 20 0 CBADLP C[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)C2 ZINC001348973477 890741537 /nfs/dbraw/zinc/74/15/37/890741537.db2.gz RPHOOLLLEWIHIW-UYTSQGDYSA-N 3 2 296.459 -0.191 20 0 CBADLP C[C@H]1C[C@@H]([NH2+]CC(=O)N(C)C)CN1C(=O)Cn1cc[nH+]c1 ZINC001449014120 913482735 /nfs/dbraw/zinc/48/27/35/913482735.db2.gz KQGPXGASGBULTO-NWDGAFQWSA-N 2 2 293.371 -0.450 20 0 CBADLP O=C(C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1)N1CC[NH2+]CC1 ZINC001349398003 890807808 /nfs/dbraw/zinc/80/78/08/890807808.db2.gz BRWYDUMGRCZRNY-AWEZNQCLSA-N 3 2 266.389 -0.506 20 0 CBADLP O=C(C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)N1CC[NH2+]CC1 ZINC001349398003 890807819 /nfs/dbraw/zinc/80/78/19/890807819.db2.gz BRWYDUMGRCZRNY-AWEZNQCLSA-N 3 2 266.389 -0.506 20 0 CBADLP CC(C)[NH+]1CC(NC(=O)[C@H]2C[N@@H+]3CCN2C[C@@H]3C)C1 ZINC001349456776 890817587 /nfs/dbraw/zinc/81/75/87/890817587.db2.gz VZEOCYFUPHVFRG-WCQYABFASA-N 2 2 266.389 -0.417 20 0 CBADLP CC(C)[NH+]1CC(NC(=O)[C@H]2C[N@H+]3CCN2C[C@@H]3C)C1 ZINC001349456776 890817599 /nfs/dbraw/zinc/81/75/99/890817599.db2.gz VZEOCYFUPHVFRG-WCQYABFASA-N 2 2 266.389 -0.417 20 0 CBADLP C[C@H](C(=O)N1CCN(C)C[C@H]1C[NH3+])n1cc[nH+]c1 ZINC001349458213 890818472 /nfs/dbraw/zinc/81/84/72/890818472.db2.gz TVLJFFXPVYBWJF-GHMZBOCLSA-N 2 2 251.334 -0.455 20 0 CBADLP C[C@H](CNC(=O)[C@H](N)CC[NH+](C)C)Cn1cc[nH+]c1 ZINC001349656719 890861849 /nfs/dbraw/zinc/86/18/49/890861849.db2.gz RXIXMQOLJMWYJS-VXGBXAGGSA-N 2 2 267.377 -0.086 20 0 CBADLP CC[C@@H]([NH2+]C)C(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001350405744 890978722 /nfs/dbraw/zinc/97/87/22/890978722.db2.gz UTMAZVSQRGTROE-VHSXEESVSA-N 2 2 256.350 -0.950 20 0 CBADLP CC[C@@H]([NH2+]C)C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001350405744 890978726 /nfs/dbraw/zinc/97/87/26/890978726.db2.gz UTMAZVSQRGTROE-VHSXEESVSA-N 2 2 256.350 -0.950 20 0 CBADLP Cn1c[nH+]cc1[C@H](CO)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001350563460 891007924 /nfs/dbraw/zinc/00/79/24/891007924.db2.gz ZQDFCVUPBJWOPR-QWRGUYRKSA-N 2 2 266.345 -0.089 20 0 CBADLP Cn1c[nH+]cc1[C@H](CO)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001350563460 891007940 /nfs/dbraw/zinc/00/79/40/891007940.db2.gz ZQDFCVUPBJWOPR-QWRGUYRKSA-N 2 2 266.345 -0.089 20 0 CBADLP Cn1c[nH+]cc1[C@H](CO)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001350563459 891008359 /nfs/dbraw/zinc/00/83/59/891008359.db2.gz ZQDFCVUPBJWOPR-MNOVXSKESA-N 2 2 266.345 -0.089 20 0 CBADLP Cn1c[nH+]cc1[C@H](CO)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001350563459 891008374 /nfs/dbraw/zinc/00/83/74/891008374.db2.gz ZQDFCVUPBJWOPR-MNOVXSKESA-N 2 2 266.345 -0.089 20 0 CBADLP C[C@]1(C2CC2)COCC[N@@H+]1CC(=O)N1CC[NH2+]CC1 ZINC001352777143 891291788 /nfs/dbraw/zinc/29/17/88/891291788.db2.gz FLXQOPRONMGKAO-CQSZACIVSA-N 2 2 267.373 -0.081 20 0 CBADLP C[C@]1(C2CC2)COCC[N@H+]1CC(=O)N1CC[NH2+]CC1 ZINC001352777143 891291802 /nfs/dbraw/zinc/29/18/02/891291802.db2.gz FLXQOPRONMGKAO-CQSZACIVSA-N 2 2 267.373 -0.081 20 0 CBADLP COCC[C@@H]([NH3+])Cc1cn(Cc2[nH+]ccn2C)nn1 ZINC001352982694 891333837 /nfs/dbraw/zinc/33/38/37/891333837.db2.gz DKNMPCGMXWMSDI-SNVBAGLBSA-N 2 2 264.333 -0.034 20 0 CBADLP [NH3+]Cc1ocnc1C(=O)NCCCC[NH+]1CCOCC1 ZINC001353062547 891352899 /nfs/dbraw/zinc/35/28/99/891352899.db2.gz FFYVQNBPHYXQTN-UHFFFAOYSA-N 2 2 282.344 -0.025 20 0 CBADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H](C)[NH3+] ZINC001353432368 891424996 /nfs/dbraw/zinc/42/49/96/891424996.db2.gz ZVHLRKATYALKSQ-MNOVXSKESA-N 2 2 258.366 -0.256 20 0 CBADLP C[C@H](O)CN(C)C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001353468019 891430707 /nfs/dbraw/zinc/43/07/07/891430707.db2.gz RACWKDYMTMXKGF-JTQLQIEISA-N 2 2 258.366 -0.568 20 0 CBADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCO[C@H](C[NH3+])C1 ZINC001353613949 891453092 /nfs/dbraw/zinc/45/30/92/891453092.db2.gz UNFXDWITHGOBEP-GMTAPVOTSA-N 2 2 264.329 -0.290 20 0 CBADLP [NH3+][C@@H](CC(=O)NC[C@H]1C[NH2+]CCCO1)C(F)F ZINC001353665671 891458261 /nfs/dbraw/zinc/45/82/61/891458261.db2.gz ISJLBHBGJUMOJH-SFYZADRCSA-N 2 2 251.277 -0.536 20 0 CBADLP [NH3+][C@H](C[NH2+]CCCN1CC[NH2+]CC1)CC(F)F ZINC001353943029 891490616 /nfs/dbraw/zinc/49/06/16/891490616.db2.gz LCYQUXHIVWVLDY-JTQLQIEISA-N 3 2 250.337 -0.146 20 0 CBADLP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCn2c[nH+]cc2C1 ZINC001354018577 891498849 /nfs/dbraw/zinc/49/88/49/891498849.db2.gz HPZFKWXRKCVFGM-DGCLKSJQSA-N 2 2 264.329 -0.320 20 0 CBADLP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCn2c[nH+]cc2C1 ZINC001354018577 891498857 /nfs/dbraw/zinc/49/88/57/891498857.db2.gz HPZFKWXRKCVFGM-DGCLKSJQSA-N 2 2 264.329 -0.320 20 0 CBADLP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H]2C[NH2+]CCOC2)CC1 ZINC001354238826 891545543 /nfs/dbraw/zinc/54/55/43/891545543.db2.gz YVWPDJCGWAGUCZ-AWEZNQCLSA-N 3 2 298.431 -0.445 20 0 CBADLP COCC[N@H+](CCF)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001449347508 913572026 /nfs/dbraw/zinc/57/20/26/913572026.db2.gz VXUWMAUYJUPLDK-LBPRGKRZSA-N 2 2 275.368 -0.028 20 0 CBADLP COCC[N@@H+](CCF)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001449347508 913572035 /nfs/dbraw/zinc/57/20/35/913572035.db2.gz VXUWMAUYJUPLDK-LBPRGKRZSA-N 2 2 275.368 -0.028 20 0 CBADLP COCC[NH+](CCF)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001449347508 913572044 /nfs/dbraw/zinc/57/20/44/913572044.db2.gz VXUWMAUYJUPLDK-LBPRGKRZSA-N 2 2 275.368 -0.028 20 0 CBADLP COCC[NH+](CCF)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001449347508 913572056 /nfs/dbraw/zinc/57/20/56/913572056.db2.gz VXUWMAUYJUPLDK-LBPRGKRZSA-N 2 2 275.368 -0.028 20 0 CBADLP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCC([NH3+])CC2)CC[N@@H+]1C ZINC001354770743 891614798 /nfs/dbraw/zinc/61/47/98/891614798.db2.gz CRCJNCBLLBNONR-DGCLKSJQSA-N 3 2 268.405 -0.134 20 0 CBADLP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCC([NH3+])CC2)CC[N@H+]1C ZINC001354770743 891614806 /nfs/dbraw/zinc/61/48/06/891614806.db2.gz CRCJNCBLLBNONR-DGCLKSJQSA-N 3 2 268.405 -0.134 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)[C@@H]2CCNC(=O)C2)CC1 ZINC001354770879 891616189 /nfs/dbraw/zinc/61/61/89/891616189.db2.gz JDQNNJQHXHJHHQ-SNVBAGLBSA-N 2 2 268.361 -0.948 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)C23CCC(CC2)[NH2+]3)CC1 ZINC001354771383 891616342 /nfs/dbraw/zinc/61/63/42/891616342.db2.gz VMRHSOSNHNYQTL-UHFFFAOYSA-N 3 2 266.389 -0.190 20 0 CBADLP [NH3+][C@@H](CC(=O)N1CCC[C@]([NH3+])(CO)C1)C(F)F ZINC001355043201 891640025 /nfs/dbraw/zinc/64/00/25/891640025.db2.gz ORZHUZADQHAFFC-OIBJUYFYSA-N 2 2 251.277 -0.719 20 0 CBADLP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)C[C@H]1[NH3+] ZINC001356436065 891756198 /nfs/dbraw/zinc/75/61/98/891756198.db2.gz DNPWCFQWFCBYIO-OUAUKWLOSA-N 2 2 291.355 -0.880 20 0 CBADLP C[C@@H](C[NH2+]C[C@@H](O)C[NH+]1CCCC1)N1CC[NH+](C)CC1 ZINC001356585800 891780743 /nfs/dbraw/zinc/78/07/43/891780743.db2.gz VVAHRZCYLWPGBO-LSDHHAIUSA-N 3 2 284.448 -0.331 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]2[C@@H]3CC[NH2+]C[C@@H]32)CCO1 ZINC001357385616 891883359 /nfs/dbraw/zinc/88/33/59/891883359.db2.gz XKZHZMYAWVPUDK-NDBYEHHHSA-N 2 2 267.373 -0.321 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2[C@@H]3CC[NH2+]C[C@@H]32)CCO1 ZINC001357385616 891883381 /nfs/dbraw/zinc/88/33/81/891883381.db2.gz XKZHZMYAWVPUDK-NDBYEHHHSA-N 2 2 267.373 -0.321 20 0 CBADLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@@H]1C[C@@H]1C[NH3+] ZINC001357394988 891885343 /nfs/dbraw/zinc/88/53/43/891885343.db2.gz AQCUHYWTNRUWLB-GHMZBOCLSA-N 2 2 255.362 -0.192 20 0 CBADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@@H]1C[C@@H]1C[NH3+] ZINC001357394988 891885354 /nfs/dbraw/zinc/88/53/54/891885354.db2.gz AQCUHYWTNRUWLB-GHMZBOCLSA-N 2 2 255.362 -0.192 20 0 CBADLP O=C(NC[C@H]1C[NH2+]CCO1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001357618281 891919076 /nfs/dbraw/zinc/91/90/76/891919076.db2.gz DZMQFLUAWJFICA-ZYHUDNBSSA-N 2 2 264.329 -0.450 20 0 CBADLP O=C(NC[C@@H]1C[NH2+]CCO1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001357618280 891919843 /nfs/dbraw/zinc/91/98/43/891919843.db2.gz DZMQFLUAWJFICA-PWSUYJOCSA-N 2 2 264.329 -0.450 20 0 CBADLP O=C(C[NH+]1CCC(CO)CC1)NCCc1[nH]cc[nH+]1 ZINC001357900068 891944433 /nfs/dbraw/zinc/94/44/33/891944433.db2.gz YPLRVFXCXATQPE-UHFFFAOYSA-N 2 2 266.345 -0.227 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)[C@@H]2[NH2+]C[C@@H]3C[C@@H]32)CC1 ZINC001358111922 891971763 /nfs/dbraw/zinc/97/17/63/891971763.db2.gz TYBXGBQFYVLZMF-ZMLRMANQSA-N 3 2 252.362 -0.866 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)[C@@H]2[C@@H]3CC[NH2+]C[C@@H]32)CC1 ZINC001358110936 891973162 /nfs/dbraw/zinc/97/31/62/891973162.db2.gz DHQCVNXKTOMQHJ-FRRDWIJNSA-N 3 2 266.389 -0.619 20 0 CBADLP CC[N@@H+]1CC[C@H]1C(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC001361629266 892172677 /nfs/dbraw/zinc/17/26/77/892172677.db2.gz SNHBJCZXDIJTQR-LBPRGKRZSA-N 2 2 282.388 -0.593 20 0 CBADLP CC[N@H+]1CC[C@H]1C(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC001361629266 892172685 /nfs/dbraw/zinc/17/26/85/892172685.db2.gz SNHBJCZXDIJTQR-LBPRGKRZSA-N 2 2 282.388 -0.593 20 0 CBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C1(O)COC1 ZINC001361932362 892320199 /nfs/dbraw/zinc/32/01/99/892320199.db2.gz UJKJIBJJPBQUCB-UHFFFAOYSA-N 2 2 285.388 -0.768 20 0 CBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C1(O)COC1 ZINC001361932362 892320221 /nfs/dbraw/zinc/32/02/21/892320221.db2.gz UJKJIBJJPBQUCB-UHFFFAOYSA-N 2 2 285.388 -0.768 20 0 CBADLP C[C@@H](CC(N)=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001362269058 892553165 /nfs/dbraw/zinc/55/31/65/892553165.db2.gz KRIKFVYHQKGFEL-RYUDHWBXSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@@H](CC(N)=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001362269058 892553171 /nfs/dbraw/zinc/55/31/71/892553171.db2.gz KRIKFVYHQKGFEL-RYUDHWBXSA-N 2 2 296.415 -0.217 20 0 CBADLP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CC[NH+]2C[C@@H](F)C[C@H]2C1 ZINC001362488958 892722346 /nfs/dbraw/zinc/72/23/46/892722346.db2.gz HHKIVRDRCRDSNM-ZJQBRPOHSA-N 2 2 285.363 -0.304 20 0 CBADLP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CC[NH+]2C[C@@H](F)C[C@H]2C1 ZINC001362488958 892722359 /nfs/dbraw/zinc/72/23/59/892722359.db2.gz HHKIVRDRCRDSNM-ZJQBRPOHSA-N 2 2 285.363 -0.304 20 0 CBADLP C[NH+]1C[C@@H](O)C[C@]1(C)C(=O)N1CC[N@@H+]2C[C@@H](F)C[C@H]2C1 ZINC001362488958 892722369 /nfs/dbraw/zinc/72/23/69/892722369.db2.gz HHKIVRDRCRDSNM-ZJQBRPOHSA-N 2 2 285.363 -0.304 20 0 CBADLP C[NH+]1C[C@@H](O)C[C@]1(C)C(=O)N1CC[N@H+]2C[C@@H](F)C[C@H]2C1 ZINC001362488958 892722388 /nfs/dbraw/zinc/72/23/88/892722388.db2.gz HHKIVRDRCRDSNM-ZJQBRPOHSA-N 2 2 285.363 -0.304 20 0 CBADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC001362827330 893082483 /nfs/dbraw/zinc/08/24/83/893082483.db2.gz YRMAKOIVOBXYQP-GYSYKLTISA-N 2 2 278.356 -0.294 20 0 CBADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC001362827330 893082504 /nfs/dbraw/zinc/08/25/04/893082504.db2.gz YRMAKOIVOBXYQP-GYSYKLTISA-N 2 2 278.356 -0.294 20 0 CBADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001362982349 893229020 /nfs/dbraw/zinc/22/90/20/893229020.db2.gz CAPGEYVPQQSLRJ-IRCOFANPSA-N 2 2 276.340 -0.209 20 0 CBADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001362982349 893229044 /nfs/dbraw/zinc/22/90/44/893229044.db2.gz CAPGEYVPQQSLRJ-IRCOFANPSA-N 2 2 276.340 -0.209 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ns[nH]c1=O ZINC001363232277 893479141 /nfs/dbraw/zinc/47/91/41/893479141.db2.gz PRCDMUZJIDRQGV-UHFFFAOYSA-N 2 2 287.389 -0.143 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ns[nH]c1=O ZINC001363232277 893479155 /nfs/dbraw/zinc/47/91/55/893479155.db2.gz PRCDMUZJIDRQGV-UHFFFAOYSA-N 2 2 287.389 -0.143 20 0 CBADLP C[N@@H+]1CCC[C@@](O)(CC(=O)N[C@H](CO)Cc2c[nH]c[nH+]2)C1 ZINC001363663075 893892853 /nfs/dbraw/zinc/89/28/53/893892853.db2.gz XGJSGLJOIIBREY-GXTWGEPZSA-N 2 2 296.371 -0.724 20 0 CBADLP C[N@H+]1CCC[C@@](O)(CC(=O)N[C@H](CO)Cc2c[nH]c[nH+]2)C1 ZINC001363663075 893892876 /nfs/dbraw/zinc/89/28/76/893892876.db2.gz XGJSGLJOIIBREY-GXTWGEPZSA-N 2 2 296.371 -0.724 20 0 CBADLP C[N@@H+]1CCC[C@@](O)(CC(=O)N[C@H](CO)Cc2c[nH+]c[nH]2)C1 ZINC001363663075 893892897 /nfs/dbraw/zinc/89/28/97/893892897.db2.gz XGJSGLJOIIBREY-GXTWGEPZSA-N 2 2 296.371 -0.724 20 0 CBADLP C[N@H+]1CCC[C@@](O)(CC(=O)N[C@H](CO)Cc2c[nH+]c[nH]2)C1 ZINC001363663075 893892919 /nfs/dbraw/zinc/89/29/19/893892919.db2.gz XGJSGLJOIIBREY-GXTWGEPZSA-N 2 2 296.371 -0.724 20 0 CBADLP C[N@H+](CC(=O)N1CC([NH2+]C2COC2)C1)[C@@H]1CCSC1 ZINC001364361503 894363691 /nfs/dbraw/zinc/36/36/91/894363691.db2.gz HMKVMFJZPWGUHI-GFCCVEGCSA-N 2 2 285.413 -0.377 20 0 CBADLP C[N@@H+](CC(=O)N1CC([NH2+]C2COC2)C1)[C@@H]1CCSC1 ZINC001364361503 894363707 /nfs/dbraw/zinc/36/37/07/894363707.db2.gz HMKVMFJZPWGUHI-GFCCVEGCSA-N 2 2 285.413 -0.377 20 0 CBADLP CCC[N@@H+]1CC[C@@H](NS(=O)(=O)N2CC[NH+](C)CC2)C1 ZINC001365444039 894970822 /nfs/dbraw/zinc/97/08/22/894970822.db2.gz AHJHUAUTXVGRTG-GFCCVEGCSA-N 2 2 290.433 -0.448 20 0 CBADLP CCC[N@H+]1CC[C@@H](NS(=O)(=O)N2CC[NH+](C)CC2)C1 ZINC001365444039 894970831 /nfs/dbraw/zinc/97/08/31/894970831.db2.gz AHJHUAUTXVGRTG-GFCCVEGCSA-N 2 2 290.433 -0.448 20 0 CBADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cn(CC(N)=O)nn1 ZINC001365597575 895034229 /nfs/dbraw/zinc/03/42/29/895034229.db2.gz RORDVDUMADHKIY-UHFFFAOYSA-N 2 2 291.359 -0.210 20 0 CBADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cn(CC(N)=O)nn1 ZINC001365597575 895034249 /nfs/dbraw/zinc/03/42/49/895034249.db2.gz RORDVDUMADHKIY-UHFFFAOYSA-N 2 2 291.359 -0.210 20 0 CBADLP CN(C[C@@H]1CC[N@@H+]1[C@@H]1CCNC1=O)C(=O)CC[NH+](C)C ZINC001365787530 895121565 /nfs/dbraw/zinc/12/15/65/895121565.db2.gz BFWZOPXCCQSZBN-NWDGAFQWSA-N 2 2 282.388 -0.641 20 0 CBADLP CN(C[C@@H]1CC[N@H+]1[C@@H]1CCNC1=O)C(=O)CC[NH+](C)C ZINC001365787530 895121574 /nfs/dbraw/zinc/12/15/74/895121574.db2.gz BFWZOPXCCQSZBN-NWDGAFQWSA-N 2 2 282.388 -0.641 20 0 CBADLP CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)CC[NH+](C)CC ZINC001365802953 895125715 /nfs/dbraw/zinc/12/57/15/895125715.db2.gz KZCOWCNNGJNSDJ-ZDUSSCGKSA-N 2 2 298.431 -0.003 20 0 CBADLP CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)CC[NH+](C)CC ZINC001365802953 895125717 /nfs/dbraw/zinc/12/57/17/895125717.db2.gz KZCOWCNNGJNSDJ-ZDUSSCGKSA-N 2 2 298.431 -0.003 20 0 CBADLP CCNC(=O)C[NH+]1CC[C@H]1CN(C)C(=O)CC[N@H+](C)CC ZINC001365802953 895125724 /nfs/dbraw/zinc/12/57/24/895125724.db2.gz KZCOWCNNGJNSDJ-ZDUSSCGKSA-N 2 2 298.431 -0.003 20 0 CBADLP CCNC(=O)C[NH+]1CC[C@H]1CN(C)C(=O)CC[N@@H+](C)CC ZINC001365802953 895125730 /nfs/dbraw/zinc/12/57/30/895125730.db2.gz KZCOWCNNGJNSDJ-ZDUSSCGKSA-N 2 2 298.431 -0.003 20 0 CBADLP COC[C@H](O)C[NH2+][C@H]1C[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001365820302 895128006 /nfs/dbraw/zinc/12/80/06/895128006.db2.gz DHKILIMESYBSEN-GRYCIOLGSA-N 2 2 296.371 -0.556 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1C[C@@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001365825153 895128920 /nfs/dbraw/zinc/12/89/20/895128920.db2.gz GFIQZWJAEAIDBO-GARJFASQSA-N 2 2 293.371 -0.381 20 0 CBADLP CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001365949859 895150172 /nfs/dbraw/zinc/15/01/72/895150172.db2.gz OOOBFKBVECDNGN-QWHCGFSZSA-N 2 2 296.415 -0.345 20 0 CBADLP CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001365949859 895150179 /nfs/dbraw/zinc/15/01/79/895150179.db2.gz OOOBFKBVECDNGN-QWHCGFSZSA-N 2 2 296.415 -0.345 20 0 CBADLP CCNC(=O)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001365949859 895150186 /nfs/dbraw/zinc/15/01/86/895150186.db2.gz OOOBFKBVECDNGN-QWHCGFSZSA-N 2 2 296.415 -0.345 20 0 CBADLP CCNC(=O)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001365949859 895150194 /nfs/dbraw/zinc/15/01/94/895150194.db2.gz OOOBFKBVECDNGN-QWHCGFSZSA-N 2 2 296.415 -0.345 20 0 CBADLP NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001366002049 895171972 /nfs/dbraw/zinc/17/19/72/895171972.db2.gz FCRKOTZSYNUXCK-GFCCVEGCSA-N 2 2 282.388 -0.462 20 0 CBADLP NC(=O)C[N@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001366002049 895171977 /nfs/dbraw/zinc/17/19/77/895171977.db2.gz FCRKOTZSYNUXCK-GFCCVEGCSA-N 2 2 282.388 -0.462 20 0 CBADLP C[C@@H](CC(=O)NC[C@@H]([NH2+]CC(N)=O)C1CC1)n1cc[nH+]c1 ZINC001366062762 895181959 /nfs/dbraw/zinc/18/19/59/895181959.db2.gz QFDPFKURGHFLJE-CMPLNLGQSA-N 2 2 293.371 -0.196 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001366136979 895202327 /nfs/dbraw/zinc/20/23/27/895202327.db2.gz UYJCRZPMLHLBLH-DCAQKATOSA-N 2 2 293.371 -0.666 20 0 CBADLP C[C@@H](CNC(=O)CCC[NH+](C)C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001366333125 895280791 /nfs/dbraw/zinc/28/07/91/895280791.db2.gz WIVOLUBPEBKIDQ-JTQLQIEISA-N 2 2 298.391 -0.956 20 0 CBADLP CCCNC(=O)C[NH2+][C@@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001366341379 895286194 /nfs/dbraw/zinc/28/61/94/895286194.db2.gz DLBJMLVPUVPGJD-JTQLQIEISA-N 2 2 281.360 -0.427 20 0 CBADLP CCN(CC)C(=O)C[NH2+][C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001366341505 895286531 /nfs/dbraw/zinc/28/65/31/895286531.db2.gz MCXXPJWLIGTOQL-LLVKDONJSA-N 2 2 295.387 -0.085 20 0 CBADLP COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001366387437 895306048 /nfs/dbraw/zinc/30/60/48/895306048.db2.gz JBQNTUCUBCNFCO-WCQYABFASA-N 2 2 296.371 -0.840 20 0 CBADLP CC[C@H]([NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1)C(N)=O ZINC001366412934 895315520 /nfs/dbraw/zinc/31/55/20/895315520.db2.gz VFALGZBCMZKLCC-NEPJUHHUSA-N 2 2 293.371 -0.415 20 0 CBADLP CC[C@@H]([NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1)C(N)=O ZINC001366413028 895316547 /nfs/dbraw/zinc/31/65/47/895316547.db2.gz VFALGZBCMZKLCC-VXGBXAGGSA-N 2 2 293.371 -0.415 20 0 CBADLP CNC(=O)C[NH2+][C@@H]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001366443407 895321460 /nfs/dbraw/zinc/32/14/60/895321460.db2.gz YBYBQJKPEUDIEK-VXGBXAGGSA-N 2 2 293.371 -0.354 20 0 CBADLP C[C@@H](CCNC(=O)[C@H]1CCn2cc[nH+]c2C1)[NH2+]CC(N)=O ZINC001366481010 895331095 /nfs/dbraw/zinc/33/10/95/895331095.db2.gz UZIHULYHLGWVHG-QWRGUYRKSA-N 2 2 293.371 -0.585 20 0 CBADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCC[N@H+](C)CC(N)=O ZINC001366528709 895355601 /nfs/dbraw/zinc/35/56/01/895355601.db2.gz SWCJTCKNOXMASJ-NSHDSACASA-N 2 2 295.387 -0.070 20 0 CBADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCC[N@@H+](C)CC(N)=O ZINC001366528709 895355618 /nfs/dbraw/zinc/35/56/18/895355618.db2.gz SWCJTCKNOXMASJ-NSHDSACASA-N 2 2 295.387 -0.070 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)NCC[NH+](C)CC(=O)NC)CC[N@@H+]1C ZINC001366525791 895355689 /nfs/dbraw/zinc/35/56/89/895355689.db2.gz AQTRJJWXEYKQOS-NWDGAFQWSA-N 2 2 284.404 -0.489 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)NCC[NH+](C)CC(=O)NC)CC[N@H+]1C ZINC001366525791 895355707 /nfs/dbraw/zinc/35/57/07/895355707.db2.gz AQTRJJWXEYKQOS-NWDGAFQWSA-N 2 2 284.404 -0.489 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)NCC[N@H+](C)CC(=O)NC)CC[NH+]1C ZINC001366525791 895355723 /nfs/dbraw/zinc/35/57/23/895355723.db2.gz AQTRJJWXEYKQOS-NWDGAFQWSA-N 2 2 284.404 -0.489 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)NCC[N@@H+](C)CC(=O)NC)CC[NH+]1C ZINC001366525791 895355737 /nfs/dbraw/zinc/35/57/37/895355737.db2.gz AQTRJJWXEYKQOS-NWDGAFQWSA-N 2 2 284.404 -0.489 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NCC[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC001366552931 895378481 /nfs/dbraw/zinc/37/84/81/895378481.db2.gz VQPWGWFRXPDUBB-GFCCVEGCSA-N 2 2 293.371 -0.530 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NCC[N@H+](C)[C@@H]1CCN(C)C1=O ZINC001366552931 895378496 /nfs/dbraw/zinc/37/84/96/895378496.db2.gz VQPWGWFRXPDUBB-GFCCVEGCSA-N 2 2 293.371 -0.530 20 0 CBADLP C[N@H+](CCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21)CC(N)=O ZINC001366574064 895386628 /nfs/dbraw/zinc/38/66/28/895386628.db2.gz MTVUITVKCUTDEQ-RYUDHWBXSA-N 2 2 282.388 -0.463 20 0 CBADLP C[N@@H+](CCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21)CC(N)=O ZINC001366574064 895386643 /nfs/dbraw/zinc/38/66/43/895386643.db2.gz MTVUITVKCUTDEQ-RYUDHWBXSA-N 2 2 282.388 -0.463 20 0 CBADLP C[NH+](CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21)CC(N)=O ZINC001366574064 895386657 /nfs/dbraw/zinc/38/66/57/895386657.db2.gz MTVUITVKCUTDEQ-RYUDHWBXSA-N 2 2 282.388 -0.463 20 0 CBADLP C[NH+](CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21)CC(N)=O ZINC001366574064 895386671 /nfs/dbraw/zinc/38/66/71/895386671.db2.gz MTVUITVKCUTDEQ-RYUDHWBXSA-N 2 2 282.388 -0.463 20 0 CBADLP CNC(=O)C[NH+](C)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001366587740 895394092 /nfs/dbraw/zinc/39/40/92/895394092.db2.gz YDUFEOIDEAOWNZ-NSHDSACASA-N 2 2 270.377 -0.878 20 0 CBADLP CNC(=O)C[N@H+](C)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001366587740 895394058 /nfs/dbraw/zinc/39/40/58/895394058.db2.gz YDUFEOIDEAOWNZ-NSHDSACASA-N 2 2 270.377 -0.878 20 0 CBADLP CNC(=O)C[N@@H+](C)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001366587740 895394074 /nfs/dbraw/zinc/39/40/74/895394074.db2.gz YDUFEOIDEAOWNZ-NSHDSACASA-N 2 2 270.377 -0.878 20 0 CBADLP CNC(=O)C[NH+](C)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001366587740 895394110 /nfs/dbraw/zinc/39/41/10/895394110.db2.gz YDUFEOIDEAOWNZ-NSHDSACASA-N 2 2 270.377 -0.878 20 0 CBADLP Cc1[nH+]ccn1CCCC(=O)NCC[N@@H+](C)[C@H](C)C(N)=O ZINC001366580170 895397563 /nfs/dbraw/zinc/39/75/63/895397563.db2.gz IMTOXHXIUSRIGB-LLVKDONJSA-N 2 2 295.387 -0.106 20 0 CBADLP Cc1[nH+]ccn1CCCC(=O)NCC[N@H+](C)[C@H](C)C(N)=O ZINC001366580170 895397575 /nfs/dbraw/zinc/39/75/75/895397575.db2.gz IMTOXHXIUSRIGB-LLVKDONJSA-N 2 2 295.387 -0.106 20 0 CBADLP C[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)CC(=O)NC(C)(C)C ZINC001366591458 895403076 /nfs/dbraw/zinc/40/30/76/895403076.db2.gz FNQMNLIMZFXBRH-LBPRGKRZSA-N 2 2 298.431 -0.099 20 0 CBADLP C[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)CC(=O)NC(C)(C)C ZINC001366591458 895403079 /nfs/dbraw/zinc/40/30/79/895403079.db2.gz FNQMNLIMZFXBRH-LBPRGKRZSA-N 2 2 298.431 -0.099 20 0 CBADLP C[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)CC(=O)NC(C)(C)C ZINC001366591458 895403080 /nfs/dbraw/zinc/40/30/80/895403080.db2.gz FNQMNLIMZFXBRH-LBPRGKRZSA-N 2 2 298.431 -0.099 20 0 CBADLP C[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)CC(=O)NC(C)(C)C ZINC001366591458 895403083 /nfs/dbraw/zinc/40/30/83/895403083.db2.gz FNQMNLIMZFXBRH-LBPRGKRZSA-N 2 2 298.431 -0.099 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+](CC)CCNC(=O)Cn1cc[nH+]c1C ZINC001366639916 895416825 /nfs/dbraw/zinc/41/68/25/895416825.db2.gz IRDFARZPFVEPTQ-LBPRGKRZSA-N 2 2 295.387 -0.106 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+](CC)CCNC(=O)Cn1cc[nH+]c1C ZINC001366639916 895416829 /nfs/dbraw/zinc/41/68/29/895416829.db2.gz IRDFARZPFVEPTQ-LBPRGKRZSA-N 2 2 295.387 -0.106 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001366700094 895435674 /nfs/dbraw/zinc/43/56/74/895435674.db2.gz UXOUDPDAPBUURX-PWSUYJOCSA-N 2 2 291.355 -0.721 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001366700094 895435685 /nfs/dbraw/zinc/43/56/85/895435685.db2.gz UXOUDPDAPBUURX-PWSUYJOCSA-N 2 2 291.355 -0.721 20 0 CBADLP C[C@@H]([NH2+]CCN(C)C(=O)C[C@@H](C)n1cc[nH+]c1)C(N)=O ZINC001366772275 895456466 /nfs/dbraw/zinc/45/64/66/895456466.db2.gz GQWRERGCKJHSSH-GHMZBOCLSA-N 2 2 281.360 -0.244 20 0 CBADLP CN(CC[NH2+][C@H]1CCN(C)C1=O)C(=O)Cc1c[nH+]c[nH]1 ZINC001366773067 895458198 /nfs/dbraw/zinc/45/81/98/895458198.db2.gz IWJBFAQGOKOSFX-NSHDSACASA-N 2 2 279.344 -0.769 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CC[C@@H](CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001366848022 895467457 /nfs/dbraw/zinc/46/74/57/895467457.db2.gz WQWRSSPYZAFPOZ-GHMZBOCLSA-N 2 2 293.371 -0.346 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CC[C@@H](CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001366848022 895467465 /nfs/dbraw/zinc/46/74/65/895467465.db2.gz WQWRSSPYZAFPOZ-GHMZBOCLSA-N 2 2 293.371 -0.346 20 0 CBADLP C[C@H]([NH2+]CCN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1)C(N)=O ZINC001366835261 895468533 /nfs/dbraw/zinc/46/85/33/895468533.db2.gz XMFQTTFTQGTPSN-QWRGUYRKSA-N 2 2 293.371 -0.633 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001366848036 895469069 /nfs/dbraw/zinc/46/90/69/895469069.db2.gz WQWRSSPYZAFPOZ-WDEREUQCSA-N 2 2 293.371 -0.346 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CC[C@@H](CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001366848036 895469077 /nfs/dbraw/zinc/46/90/77/895469077.db2.gz WQWRSSPYZAFPOZ-WDEREUQCSA-N 2 2 293.371 -0.346 20 0 CBADLP CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001366908743 895482318 /nfs/dbraw/zinc/48/23/18/895482318.db2.gz REKLKWVIZADEML-GXTWGEPZSA-N 2 2 298.431 -0.101 20 0 CBADLP CNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001366908743 895482321 /nfs/dbraw/zinc/48/23/21/895482321.db2.gz REKLKWVIZADEML-GXTWGEPZSA-N 2 2 298.431 -0.101 20 0 CBADLP COC[C@H](O)C[NH+]1CC(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001366935384 895495954 /nfs/dbraw/zinc/49/59/54/895495954.db2.gz HBPNAVPXMCFWOQ-CYBMUJFWSA-N 2 2 285.388 -0.864 20 0 CBADLP COC[C@@H](C)[NH+]1CC(NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001366948579 895497591 /nfs/dbraw/zinc/49/75/91/895497591.db2.gz KAHGIVDVCOCXOY-QWHCGFSZSA-N 2 2 299.415 -0.210 20 0 CBADLP CC(C)NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001367017991 895532196 /nfs/dbraw/zinc/53/21/96/895532196.db2.gz VZAVXJHYJUYGBC-OLZOCXBDSA-N 2 2 296.415 -0.347 20 0 CBADLP CC(C)NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001367017991 895532203 /nfs/dbraw/zinc/53/22/03/895532203.db2.gz VZAVXJHYJUYGBC-OLZOCXBDSA-N 2 2 296.415 -0.347 20 0 CBADLP CC(C)NC(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001367017991 895532212 /nfs/dbraw/zinc/53/22/12/895532212.db2.gz VZAVXJHYJUYGBC-OLZOCXBDSA-N 2 2 296.415 -0.347 20 0 CBADLP CC(C)NC(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001367017991 895532219 /nfs/dbraw/zinc/53/22/19/895532219.db2.gz VZAVXJHYJUYGBC-OLZOCXBDSA-N 2 2 296.415 -0.347 20 0 CBADLP CC[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2cnnn2C)C1)[NH+](C)C ZINC001367032015 895537820 /nfs/dbraw/zinc/53/78/20/895537820.db2.gz DGJFDQHXFWASPY-YPMHNXCESA-N 2 2 294.403 -0.154 20 0 CBADLP CC[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2cnnn2C)C1)[NH+](C)C ZINC001367032015 895537824 /nfs/dbraw/zinc/53/78/24/895537824.db2.gz DGJFDQHXFWASPY-YPMHNXCESA-N 2 2 294.403 -0.154 20 0 CBADLP CCN(C(=O)C1(C[NH+](C)C)CC1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001367065095 895552488 /nfs/dbraw/zinc/55/24/88/895552488.db2.gz AZNXSTBBBHXCHI-GFCCVEGCSA-N 2 2 296.415 -0.264 20 0 CBADLP CCN(C(=O)C1(C[NH+](C)C)CC1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001367065095 895552497 /nfs/dbraw/zinc/55/24/97/895552497.db2.gz AZNXSTBBBHXCHI-GFCCVEGCSA-N 2 2 296.415 -0.264 20 0 CBADLP CCN(C(=O)Cc1c[nH+]cn1C)[C@@H]1CC[N@H+](CCO)C1 ZINC001367080063 895554225 /nfs/dbraw/zinc/55/42/25/895554225.db2.gz MUFBETDKNKNXSG-GFCCVEGCSA-N 2 2 280.372 -0.122 20 0 CBADLP CCN(C(=O)Cc1c[nH+]cn1C)[C@@H]1CC[N@@H+](CCO)C1 ZINC001367080063 895554233 /nfs/dbraw/zinc/55/42/33/895554233.db2.gz MUFBETDKNKNXSG-GFCCVEGCSA-N 2 2 280.372 -0.122 20 0 CBADLP CC[C@@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)[NH2+]CC(N)=O ZINC001367108350 895565339 /nfs/dbraw/zinc/56/53/39/895565339.db2.gz KLZNKVUQGINBEQ-MNOVXSKESA-N 2 2 293.371 -0.585 20 0 CBADLP CC[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+][C@@H]1CCN(C)C1=O ZINC001367152761 895578057 /nfs/dbraw/zinc/57/80/57/895578057.db2.gz MDQJWUMTEIJKNN-VXGBXAGGSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+][C@@H]1CCCNC1=O ZINC001367281057 895601468 /nfs/dbraw/zinc/60/14/68/895601468.db2.gz BGYODDFYLXYOLV-NWDGAFQWSA-N 2 2 293.371 -0.496 20 0 CBADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+][C@H](C)C(=O)N(C)C ZINC001367292510 895604733 /nfs/dbraw/zinc/60/47/33/895604733.db2.gz ROXWUFNTYSDDJT-NWDGAFQWSA-N 2 2 295.387 -0.298 20 0 CBADLP C[C@@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]Cc1nnn(C)n1 ZINC001367283919 895604896 /nfs/dbraw/zinc/60/48/96/895604896.db2.gz FEEHGQPCFWVJJS-LLVKDONJSA-N 2 2 295.391 -0.852 20 0 CBADLP O=C(CCC[NH+]1CCCC1)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001367309837 895611359 /nfs/dbraw/zinc/61/13/59/895611359.db2.gz SAVRFHRRXZNCFY-AWEZNQCLSA-N 2 2 299.415 -0.328 20 0 CBADLP O=C(CCC[NH+]1CCCC1)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001367309837 895611366 /nfs/dbraw/zinc/61/13/66/895611366.db2.gz SAVRFHRRXZNCFY-AWEZNQCLSA-N 2 2 299.415 -0.328 20 0 CBADLP CC[C@@H](C(=O)NC[C@@H]1C[N@H+](CCO)CCO1)[NH+](C)C ZINC001367320508 895613239 /nfs/dbraw/zinc/61/32/39/895613239.db2.gz UIDPAGPPQOVMAP-NEPJUHHUSA-N 2 2 273.377 -0.864 20 0 CBADLP CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](CCO)CCO1)[NH+](C)C ZINC001367320508 895613259 /nfs/dbraw/zinc/61/32/59/895613259.db2.gz UIDPAGPPQOVMAP-NEPJUHHUSA-N 2 2 273.377 -0.864 20 0 CBADLP CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001367398494 895632728 /nfs/dbraw/zinc/63/27/28/895632728.db2.gz NYYPJXIXTMPQQI-SNVBAGLBSA-N 2 2 281.360 -0.475 20 0 CBADLP CC(C)[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@H](C)C(N)=O ZINC001367488163 895641284 /nfs/dbraw/zinc/64/12/84/895641284.db2.gz WWMUTLAJUGAXCL-KOLCDFICSA-N 2 2 281.360 -0.444 20 0 CBADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)CC(N)=O ZINC001367517745 895652910 /nfs/dbraw/zinc/65/29/10/895652910.db2.gz UYMFHFRRRHMBGV-LBPRGKRZSA-N 2 2 284.404 -0.265 20 0 CBADLP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)CC(N)=O ZINC001367517745 895652915 /nfs/dbraw/zinc/65/29/15/895652915.db2.gz UYMFHFRRRHMBGV-LBPRGKRZSA-N 2 2 284.404 -0.265 20 0 CBADLP CC(C)[NH+]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)CC(N)=O ZINC001367517745 895652922 /nfs/dbraw/zinc/65/29/22/895652922.db2.gz UYMFHFRRRHMBGV-LBPRGKRZSA-N 2 2 284.404 -0.265 20 0 CBADLP CC(C)[NH+]1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)CC(N)=O ZINC001367517745 895652927 /nfs/dbraw/zinc/65/29/27/895652927.db2.gz UYMFHFRRRHMBGV-LBPRGKRZSA-N 2 2 284.404 -0.265 20 0 CBADLP COC[C@@H](C)[NH2+]C[C@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001367609472 895699835 /nfs/dbraw/zinc/69/98/35/895699835.db2.gz HFEKNNIILQGNBX-KOLCDFICSA-N 2 2 270.333 -0.946 20 0 CBADLP CC[C@H]([NH2+]CC[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1)C(N)=O ZINC001367633582 895716287 /nfs/dbraw/zinc/71/62/87/895716287.db2.gz DLWATNXCLGPOGS-ZJUUUORDSA-N 2 2 281.360 -0.300 20 0 CBADLP C[C@H](C[NH2+]CC(=O)N1CCC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001367699639 895755098 /nfs/dbraw/zinc/75/50/98/895755098.db2.gz PRTOHXGYVUHKJD-SNVBAGLBSA-N 2 2 279.344 -0.721 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)C[NH2+][C@H]1CCN(C)C1=O ZINC001367712408 895759287 /nfs/dbraw/zinc/75/92/87/895759287.db2.gz QKRNHSDHYMPRNI-KOLCDFICSA-N 2 2 293.371 -0.414 20 0 CBADLP C[C@@H](C[NH2+][C@@H](C)C(=O)N(C)C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001367758004 895791065 /nfs/dbraw/zinc/79/10/65/895791065.db2.gz BSRZWFNXWXMWKG-UWVGGRQHSA-N 2 2 281.360 -0.477 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C[NH2+]CC(=O)NC1CC1 ZINC001367770212 895803865 /nfs/dbraw/zinc/80/38/65/895803865.db2.gz CHAIKDLBBYJFSL-VIFPVBQESA-N 2 2 293.371 -0.366 20 0 CBADLP CNC(=O)[C@H](C)[N@H+](C)C[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001367822667 895823930 /nfs/dbraw/zinc/82/39/30/895823930.db2.gz XOZSTADKVUIOPC-JQWIXIFHSA-N 2 2 295.387 -0.237 20 0 CBADLP C[C@H](C[N@H+](C)[C@@H](C)C(=O)N(C)C)NC(=O)Cn1cc[nH+]c1 ZINC001367871914 895838144 /nfs/dbraw/zinc/83/81/44/895838144.db2.gz UTNNHONDGOFSJX-NEPJUHHUSA-N 2 2 295.387 -0.204 20 0 CBADLP C[C@H](C[N@@H+](C)[C@@H](C)C(=O)N(C)C)NC(=O)Cn1cc[nH+]c1 ZINC001367871914 895838160 /nfs/dbraw/zinc/83/81/60/895838160.db2.gz UTNNHONDGOFSJX-NEPJUHHUSA-N 2 2 295.387 -0.204 20 0 CBADLP C[C@H](C(N)=O)[N@@H+](C)C[C@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001367870865 895839409 /nfs/dbraw/zinc/83/94/09/895839409.db2.gz UZZATSMZFVSTAO-NWDGAFQWSA-N 2 2 295.387 -0.026 20 0 CBADLP C[C@H](C(N)=O)[N@H+](C)C[C@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001367870865 895839418 /nfs/dbraw/zinc/83/94/18/895839418.db2.gz UZZATSMZFVSTAO-NWDGAFQWSA-N 2 2 295.387 -0.026 20 0 CBADLP C[C@H](C(=O)N(C)C)[N@@H+](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001367871920 895839730 /nfs/dbraw/zinc/83/97/30/895839730.db2.gz UTNNHONDGOFSJX-NWDGAFQWSA-N 2 2 295.387 -0.204 20 0 CBADLP C[C@H](C(=O)N(C)C)[N@H+](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001367871920 895839737 /nfs/dbraw/zinc/83/97/37/895839737.db2.gz UTNNHONDGOFSJX-NWDGAFQWSA-N 2 2 295.387 -0.204 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001367953345 895869079 /nfs/dbraw/zinc/86/90/79/895869079.db2.gz QVVGSVPXEMGBSX-NWDGAFQWSA-N 2 2 293.371 -0.354 20 0 CBADLP CC[C@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001367953345 895869081 /nfs/dbraw/zinc/86/90/81/895869081.db2.gz QVVGSVPXEMGBSX-NWDGAFQWSA-N 2 2 293.371 -0.354 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001367964950 895871517 /nfs/dbraw/zinc/87/15/17/895871517.db2.gz ZQEHATQEDXUTSR-QWRGUYRKSA-N 2 2 270.377 -0.608 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001367964950 895871524 /nfs/dbraw/zinc/87/15/24/895871524.db2.gz ZQEHATQEDXUTSR-QWRGUYRKSA-N 2 2 270.377 -0.608 20 0 CBADLP COC[C@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001367988056 895881570 /nfs/dbraw/zinc/88/15/70/895881570.db2.gz WKZDOLQDDIDNPM-DGCLKSJQSA-N 2 2 296.371 -0.840 20 0 CBADLP COC[C@H](O)C[N@H+]1CC[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001367988056 895881588 /nfs/dbraw/zinc/88/15/88/895881588.db2.gz WKZDOLQDDIDNPM-DGCLKSJQSA-N 2 2 296.371 -0.840 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NCC1([NH2+][C@H]2CCCNC2=O)CC1 ZINC001368028247 895895091 /nfs/dbraw/zinc/89/50/91/895895091.db2.gz JHFCQXVCFFCXCN-JTQLQIEISA-N 2 2 291.355 -0.531 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]C[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001368108346 895914350 /nfs/dbraw/zinc/91/43/50/895914350.db2.gz PAFIAIWWHGIVQX-ZYHUDNBSSA-N 2 2 293.371 -0.333 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)N1CCC[C@H]1C[NH2+]CC(N)=O ZINC001368108031 895914672 /nfs/dbraw/zinc/91/46/72/895914672.db2.gz JALSHBQDHHMWTO-NSHDSACASA-N 2 2 293.371 -0.581 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]C[C@@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001368108344 895915393 /nfs/dbraw/zinc/91/53/93/895915393.db2.gz PAFIAIWWHGIVQX-JQWIXIFHSA-N 2 2 293.371 -0.333 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@@]1(C)CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001368177081 895929474 /nfs/dbraw/zinc/92/94/74/895929474.db2.gz WKCOQCFPEIYPDI-YGRLFVJLSA-N 2 2 293.371 -0.354 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@@]1(C)CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001368177081 895929484 /nfs/dbraw/zinc/92/94/84/895929484.db2.gz WKCOQCFPEIYPDI-YGRLFVJLSA-N 2 2 293.371 -0.354 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N[C@@]1(C)CC[NH+](CC(N)=O)C1 ZINC001368178326 895930879 /nfs/dbraw/zinc/93/08/79/895930879.db2.gz SWTNSQROWXMVGU-ZDUSSCGKSA-N 2 2 270.377 -0.608 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N[C@@]1(C)CC[NH+](CC(N)=O)C1 ZINC001368178326 895930886 /nfs/dbraw/zinc/93/08/86/895930886.db2.gz SWTNSQROWXMVGU-ZDUSSCGKSA-N 2 2 270.377 -0.608 20 0 CBADLP CC(C)[NH+](C)CC(=O)N[C@@]1(C)CC[N@H+](CC(N)=O)C1 ZINC001368178326 895930891 /nfs/dbraw/zinc/93/08/91/895930891.db2.gz SWTNSQROWXMVGU-ZDUSSCGKSA-N 2 2 270.377 -0.608 20 0 CBADLP CC(C)[NH+](C)CC(=O)N[C@@]1(C)CC[N@@H+](CC(N)=O)C1 ZINC001368178326 895930897 /nfs/dbraw/zinc/93/08/97/895930897.db2.gz SWTNSQROWXMVGU-ZDUSSCGKSA-N 2 2 270.377 -0.608 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+]1CC[C@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001368170612 895931273 /nfs/dbraw/zinc/93/12/73/895931273.db2.gz MKOLVBQOIJPYFQ-DOMZBBRYSA-N 2 2 296.415 -0.073 20 0 CBADLP CC[C@H](C(N)=O)[N@H+]1CC[C@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001368170612 895931279 /nfs/dbraw/zinc/93/12/79/895931279.db2.gz MKOLVBQOIJPYFQ-DOMZBBRYSA-N 2 2 296.415 -0.073 20 0 CBADLP CNC(=O)C[NH2+]C[C@@]1(C)CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001368191666 895935227 /nfs/dbraw/zinc/93/52/27/895935227.db2.gz LSGQWZFVNKQTBV-CQSZACIVSA-N 2 2 293.371 -0.474 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@]1(O)CC[NH+](CCF)C1 ZINC001368256339 895947594 /nfs/dbraw/zinc/94/75/94/895947594.db2.gz JWIBXLOZXUKMED-DGCLKSJQSA-N 2 2 273.352 -0.397 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@]1(O)CC[NH+](CCF)C1 ZINC001368256339 895947589 /nfs/dbraw/zinc/94/75/89/895947589.db2.gz JWIBXLOZXUKMED-DGCLKSJQSA-N 2 2 273.352 -0.397 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@]1(O)CC[N@H+](CCF)C1 ZINC001368256339 895947604 /nfs/dbraw/zinc/94/76/04/895947604.db2.gz JWIBXLOZXUKMED-DGCLKSJQSA-N 2 2 273.352 -0.397 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@]1(O)CC[N@@H+](CCF)C1 ZINC001368256339 895947612 /nfs/dbraw/zinc/94/76/12/895947612.db2.gz JWIBXLOZXUKMED-DGCLKSJQSA-N 2 2 273.352 -0.397 20 0 CBADLP COC[C@H](C)[NH+]1CC(O)(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001368301364 895972849 /nfs/dbraw/zinc/97/28/49/895972849.db2.gz PCXQJCMSHDLPNA-LBPRGKRZSA-N 2 2 299.415 -0.332 20 0 CBADLP COC[C@H](C)[NH+]1CC(O)(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001368301364 895972859 /nfs/dbraw/zinc/97/28/59/895972859.db2.gz PCXQJCMSHDLPNA-LBPRGKRZSA-N 2 2 299.415 -0.332 20 0 CBADLP COC[C@@H](O)C[NH2+]C1CC[NH+](CCNC(C)=O)CC1 ZINC001368358441 895990609 /nfs/dbraw/zinc/99/06/09/895990609.db2.gz IGZVEHFIUJTVKG-ZDUSSCGKSA-N 2 2 273.377 -0.816 20 0 CBADLP COC[C@@H](O)C[NH2+][C@H]1C[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001368503975 896021871 /nfs/dbraw/zinc/02/18/71/896021871.db2.gz DHKILIMESYBSEN-TUAOUCFPSA-N 2 2 296.371 -0.556 20 0 CBADLP NC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001368641862 896051979 /nfs/dbraw/zinc/05/19/79/896051979.db2.gz SYOUTQQSPZADSR-WDEREUQCSA-N 2 2 293.371 -0.298 20 0 CBADLP NC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001368641862 896051988 /nfs/dbraw/zinc/05/19/88/896051988.db2.gz SYOUTQQSPZADSR-WDEREUQCSA-N 2 2 293.371 -0.298 20 0 CBADLP CNC(=O)C[NH2+][C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001368662302 896053942 /nfs/dbraw/zinc/05/39/42/896053942.db2.gz QPPPMTVEEDGSDJ-PWSUYJOCSA-N 2 2 293.371 -0.855 20 0 CBADLP CC(C)NC(=O)C[NH2+][C@@H](C)CCNC(=O)Cn1cc[nH+]c1 ZINC001368749583 896073215 /nfs/dbraw/zinc/07/32/15/896073215.db2.gz QUSRFCTXQKRXPL-LBPRGKRZSA-N 2 2 295.387 -0.108 20 0 CBADLP CNC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001368896717 896107299 /nfs/dbraw/zinc/10/72/99/896107299.db2.gz AQHGLMOSHVTGJY-NEPJUHHUSA-N 2 2 295.387 -0.108 20 0 CBADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[N@H+](C)[C@@H]1CCN(C)C1=O ZINC001369013133 896136605 /nfs/dbraw/zinc/13/66/05/896136605.db2.gz RNMXFCBITKIVQN-NWDGAFQWSA-N 2 2 293.371 -0.450 20 0 CBADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC001369013133 896136610 /nfs/dbraw/zinc/13/66/10/896136610.db2.gz RNMXFCBITKIVQN-NWDGAFQWSA-N 2 2 293.371 -0.450 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@H](C)[NH2+][C@@H]1CCNC1=O ZINC001369288909 896187554 /nfs/dbraw/zinc/18/75/54/896187554.db2.gz CGXVHXDFRYQOMU-GXSJLCMTSA-N 2 2 293.371 -0.414 20 0 CBADLP C[C@@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+]Cc1cn(C)nn1 ZINC001369296459 896190518 /nfs/dbraw/zinc/19/05/18/896190518.db2.gz HUJOYXPKQGLRFS-NSHDSACASA-N 2 2 291.359 -0.352 20 0 CBADLP C[C@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+]Cc1cn(C)nn1 ZINC001369296455 896191191 /nfs/dbraw/zinc/19/11/91/896191191.db2.gz HUJOYXPKQGLRFS-LLVKDONJSA-N 2 2 291.359 -0.352 20 0 CBADLP CCC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001369338940 896224449 /nfs/dbraw/zinc/22/44/49/896224449.db2.gz NPORPKQGJFBVOY-NWDGAFQWSA-N 2 2 280.372 -0.078 20 0 CBADLP O=C(NC[C@H](CO)[NH2+]Cc1ccon1)C12CC[NH+](CC1)C2 ZINC001369381477 896251951 /nfs/dbraw/zinc/25/19/51/896251951.db2.gz NPVGUDFXNQCUPR-GFCCVEGCSA-N 2 2 294.355 -0.663 20 0 CBADLP COC[C@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001369477143 896287653 /nfs/dbraw/zinc/28/76/53/896287653.db2.gz DTVDMBZJAZZVJM-WCQYABFASA-N 2 2 298.387 -0.594 20 0 CBADLP CO[C@H](C)C[NH2+]C[C@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001369486438 896292510 /nfs/dbraw/zinc/29/25/10/896292510.db2.gz SYTUQHNQKGAKLL-MNOVXSKESA-N 2 2 284.360 -0.604 20 0 CBADLP C[C@@H](O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)CCn1cc[nH+]c1 ZINC001369501832 896300538 /nfs/dbraw/zinc/30/05/38/896300538.db2.gz JITDMPFOPSTBQX-CHWSQXEVSA-N 2 2 298.387 -0.595 20 0 CBADLP C[C@@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)CCn1cc[nH+]c1 ZINC001369501832 896300551 /nfs/dbraw/zinc/30/05/51/896300551.db2.gz JITDMPFOPSTBQX-CHWSQXEVSA-N 2 2 298.387 -0.595 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]C1CC(N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001369581650 896321588 /nfs/dbraw/zinc/32/15/88/896321588.db2.gz FDTIJUXJJMEVPB-GRZMOONWSA-N 2 2 293.371 -0.334 20 0 CBADLP CC[C@@H](C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1)[NH+](C)C ZINC001369857021 896352713 /nfs/dbraw/zinc/35/27/13/896352713.db2.gz PTVKQIBCYKDLBG-MNOVXSKESA-N 2 2 270.377 -0.608 20 0 CBADLP CC[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1)[NH+](C)C ZINC001369857021 896352730 /nfs/dbraw/zinc/35/27/30/896352730.db2.gz PTVKQIBCYKDLBG-MNOVXSKESA-N 2 2 270.377 -0.608 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]([NH2+]CC(N)=O)C1CC1 ZINC001370262941 896412819 /nfs/dbraw/zinc/41/28/19/896412819.db2.gz KQRIMGIGXCLJGK-NSHDSACASA-N 2 2 279.344 -0.770 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]([NH2+]CC(N)=O)C1CC1 ZINC001370262937 896414014 /nfs/dbraw/zinc/41/40/14/896414014.db2.gz KQRIMGIGXCLJGK-LLVKDONJSA-N 2 2 279.344 -0.770 20 0 CBADLP CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001370659601 896467307 /nfs/dbraw/zinc/46/73/07/896467307.db2.gz YXPASDDRDLIKMX-PHIMTYICSA-N 2 2 279.344 -0.744 20 0 CBADLP C[C@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+]CC(=O)N1CCC1 ZINC001371193246 896572561 /nfs/dbraw/zinc/57/25/61/896572561.db2.gz ABOGBZZCZDCZAY-LLVKDONJSA-N 2 2 293.371 -0.331 20 0 CBADLP C[C@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH2+]CC(=O)N1CCC1 ZINC001371193246 896572572 /nfs/dbraw/zinc/57/25/72/896572572.db2.gz ABOGBZZCZDCZAY-LLVKDONJSA-N 2 2 293.371 -0.331 20 0 CBADLP CNC(=O)C[NH2+][C@@H](C)CNC(=O)CCc1[nH+]ccn1C ZINC001371303695 896583999 /nfs/dbraw/zinc/58/39/99/896583999.db2.gz LHRUPSAULPQPMD-JTQLQIEISA-N 2 2 281.360 -0.807 20 0 CBADLP C[C@@H](CC(=O)N1CC[C@H](C[NH2+]CC(N)=O)C1)n1cc[nH+]c1 ZINC001371621989 896644221 /nfs/dbraw/zinc/64/42/21/896644221.db2.gz WSXADIYRCSCTIG-NWDGAFQWSA-N 2 2 293.371 -0.242 20 0 CBADLP C[C@@H](CCNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]Cc1ccon1 ZINC001371729197 896653446 /nfs/dbraw/zinc/65/34/46/896653446.db2.gz PTSFENSVYBVLQD-WCQYABFASA-N 2 2 296.371 -0.010 20 0 CBADLP C[C@@H](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]Cc1ccon1 ZINC001371729197 896653454 /nfs/dbraw/zinc/65/34/54/896653454.db2.gz PTSFENSVYBVLQD-WCQYABFASA-N 2 2 296.371 -0.010 20 0 CBADLP CC(C)NC(=O)C[NH2+][C@H](C)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001371857736 896670269 /nfs/dbraw/zinc/67/02/69/896670269.db2.gz BYHRVTIWLJCMJU-LLVKDONJSA-N 2 2 295.387 -0.039 20 0 CBADLP C[C@@H](CCNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CC(=O)N(C)C ZINC001371860004 896670545 /nfs/dbraw/zinc/67/05/45/896670545.db2.gz YMQIBINYCORYQV-JTQLQIEISA-N 2 2 281.360 -0.475 20 0 CBADLP C[C@H](O)C[N@H+](C)CCNC(=O)c1cc(C[NH+](C)C)on1 ZINC001372025027 896712536 /nfs/dbraw/zinc/71/25/36/896712536.db2.gz NIQGOEBUYJGNOG-JTQLQIEISA-N 2 2 284.360 -0.221 20 0 CBADLP C[C@H](O)C[N@@H+](C)CCNC(=O)c1cc(C[NH+](C)C)on1 ZINC001372025027 896712545 /nfs/dbraw/zinc/71/25/45/896712545.db2.gz NIQGOEBUYJGNOG-JTQLQIEISA-N 2 2 284.360 -0.221 20 0 CBADLP CC[C@@H](C(=O)NCC[N@H+](C)CC(=O)NC1CC1)[NH+](C)C ZINC001372110925 896728084 /nfs/dbraw/zinc/72/80/84/896728084.db2.gz SWEIZNDNDWMDGA-LBPRGKRZSA-N 2 2 284.404 -0.347 20 0 CBADLP CC[C@@H](C(=O)NCC[N@@H+](C)CC(=O)NC1CC1)[NH+](C)C ZINC001372110925 896728092 /nfs/dbraw/zinc/72/80/92/896728092.db2.gz SWEIZNDNDWMDGA-LBPRGKRZSA-N 2 2 284.404 -0.347 20 0 CBADLP CCN(C)C(=O)C[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001372216479 896747707 /nfs/dbraw/zinc/74/77/07/896747707.db2.gz CGRADVHOYVJXST-LBPRGKRZSA-N 2 2 284.404 -0.536 20 0 CBADLP CCN(C)C(=O)C[N@@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001372216479 896747717 /nfs/dbraw/zinc/74/77/17/896747717.db2.gz CGRADVHOYVJXST-LBPRGKRZSA-N 2 2 284.404 -0.536 20 0 CBADLP CCN(C)C(=O)C[NH+](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001372216479 896747727 /nfs/dbraw/zinc/74/77/27/896747727.db2.gz CGRADVHOYVJXST-LBPRGKRZSA-N 2 2 284.404 -0.536 20 0 CBADLP CCN(C)C(=O)C[NH+](C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001372216479 896747739 /nfs/dbraw/zinc/74/77/39/896747739.db2.gz CGRADVHOYVJXST-LBPRGKRZSA-N 2 2 284.404 -0.536 20 0 CBADLP C[N@H+](CCNC(=O)CC[NH+]1CCCCC1)CC(N)=O ZINC001372234282 896753652 /nfs/dbraw/zinc/75/36/52/896753652.db2.gz CSFINOFZARUOHL-UHFFFAOYSA-N 2 2 270.377 -0.604 20 0 CBADLP C[N@@H+](CCNC(=O)CC[NH+]1CCCCC1)CC(N)=O ZINC001372234282 896753664 /nfs/dbraw/zinc/75/36/64/896753664.db2.gz CSFINOFZARUOHL-UHFFFAOYSA-N 2 2 270.377 -0.604 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NCC[NH+](C)CC(=O)N1CCCC1 ZINC001372250990 896758540 /nfs/dbraw/zinc/75/85/40/896758540.db2.gz WDLXZBGGPBWOKH-UHFFFAOYSA-N 2 2 298.431 -0.003 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NCC[NH+](C)CC(=O)N1CCCC1 ZINC001372250990 896758551 /nfs/dbraw/zinc/75/85/51/896758551.db2.gz WDLXZBGGPBWOKH-UHFFFAOYSA-N 2 2 298.431 -0.003 20 0 CBADLP CC(C)[NH+](C)CC(=O)NCC[N@H+](C)CC(=O)N1CCCC1 ZINC001372250990 896758559 /nfs/dbraw/zinc/75/85/59/896758559.db2.gz WDLXZBGGPBWOKH-UHFFFAOYSA-N 2 2 298.431 -0.003 20 0 CBADLP CC(C)[NH+](C)CC(=O)NCC[N@@H+](C)CC(=O)N1CCCC1 ZINC001372250990 896758570 /nfs/dbraw/zinc/75/85/70/896758570.db2.gz WDLXZBGGPBWOKH-UHFFFAOYSA-N 2 2 298.431 -0.003 20 0 CBADLP C[C@@H]1CC[NH+](CC(=O)NC[C@H]2CCC[N@@H+]2CC(N)=O)C1 ZINC001372560300 896809977 /nfs/dbraw/zinc/80/99/77/896809977.db2.gz WEZLWQBYGJTBIB-VXGBXAGGSA-N 2 2 282.388 -0.606 20 0 CBADLP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2CCC[NH+]2CC(N)=O)C1 ZINC001372560300 896809960 /nfs/dbraw/zinc/80/99/60/896809960.db2.gz WEZLWQBYGJTBIB-VXGBXAGGSA-N 2 2 282.388 -0.606 20 0 CBADLP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CCC[NH+]2CC(N)=O)C1 ZINC001372560300 896809941 /nfs/dbraw/zinc/80/99/41/896809941.db2.gz WEZLWQBYGJTBIB-VXGBXAGGSA-N 2 2 282.388 -0.606 20 0 CBADLP C[C@@H]1CC[NH+](CC(=O)NC[C@H]2CCC[N@H+]2CC(N)=O)C1 ZINC001372560300 896809989 /nfs/dbraw/zinc/80/99/89/896809989.db2.gz WEZLWQBYGJTBIB-VXGBXAGGSA-N 2 2 282.388 -0.606 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001372562026 896810468 /nfs/dbraw/zinc/81/04/68/896810468.db2.gz BEKNIACQWWXPMV-NWDGAFQWSA-N 2 2 282.388 -0.463 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001372562026 896810480 /nfs/dbraw/zinc/81/04/80/896810480.db2.gz BEKNIACQWWXPMV-NWDGAFQWSA-N 2 2 282.388 -0.463 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)NC(=O)Cn1cc[nH+]c1 ZINC001372809966 896877384 /nfs/dbraw/zinc/87/73/84/896877384.db2.gz FZBUXGQNCMYRAZ-NEPJUHHUSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)NC(=O)Cn1cc[nH+]c1 ZINC001372809966 896877397 /nfs/dbraw/zinc/87/73/97/896877397.db2.gz FZBUXGQNCMYRAZ-NEPJUHHUSA-N 2 2 293.371 -0.402 20 0 CBADLP CC(C)[C@H](C(=O)NCC[N@H+](CC(N)=O)C1CC1)[NH+](C)C ZINC001372856126 896891824 /nfs/dbraw/zinc/89/18/24/896891824.db2.gz BFQRLKKMOXWZGE-CYBMUJFWSA-N 2 2 284.404 -0.362 20 0 CBADLP CC(C)[C@H](C(=O)NCC[N@@H+](CC(N)=O)C1CC1)[NH+](C)C ZINC001372856126 896891833 /nfs/dbraw/zinc/89/18/33/896891833.db2.gz BFQRLKKMOXWZGE-CYBMUJFWSA-N 2 2 284.404 -0.362 20 0 CBADLP C[C@H]([NH2+]CCN(C)C(=O)CCc1c[nH]c[nH+]1)C(=O)N(C)C ZINC001372936256 896910111 /nfs/dbraw/zinc/91/01/11/896910111.db2.gz FPOXOOBOTFALKS-NSHDSACASA-N 2 2 295.387 -0.133 20 0 CBADLP C[C@H]([NH2+]CCN(C)C(=O)CCc1c[nH+]c[nH]1)C(=O)N(C)C ZINC001372936256 896910122 /nfs/dbraw/zinc/91/01/22/896910122.db2.gz FPOXOOBOTFALKS-NSHDSACASA-N 2 2 295.387 -0.133 20 0 CBADLP C[C@@H]([NH2+]CCN(C)C(=O)Cn1cc[nH+]c1)C(=O)N(C)C ZINC001372997533 896925715 /nfs/dbraw/zinc/92/57/15/896925715.db2.gz XRJACMNABBWNRP-LLVKDONJSA-N 2 2 281.360 -0.592 20 0 CBADLP CC[C@@H](C(=O)NC[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1)[NH+](C)C ZINC001373098801 896941596 /nfs/dbraw/zinc/94/15/96/896941596.db2.gz BFRPZXYSSARQKC-PWSUYJOCSA-N 2 2 295.387 -0.087 20 0 CBADLP CNC(=O)C[N@H+](C)C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001373306220 896969523 /nfs/dbraw/zinc/96/95/23/896969523.db2.gz YCJGDYGTNUUPOR-LLVKDONJSA-N 2 2 293.371 -0.522 20 0 CBADLP CNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001373306220 896969537 /nfs/dbraw/zinc/96/95/37/896969537.db2.gz YCJGDYGTNUUPOR-LLVKDONJSA-N 2 2 293.371 -0.522 20 0 CBADLP CC[N@H+](C)CCC(=O)NC1C[NH+](C[C@H](O)COC)C1 ZINC001373471019 897024551 /nfs/dbraw/zinc/02/45/51/897024551.db2.gz MIRXLXLUKTXKOB-LBPRGKRZSA-N 2 2 273.377 -0.864 20 0 CBADLP CC[N@@H+](C)CCC(=O)NC1C[NH+](C[C@H](O)COC)C1 ZINC001373471019 897024565 /nfs/dbraw/zinc/02/45/65/897024565.db2.gz MIRXLXLUKTXKOB-LBPRGKRZSA-N 2 2 273.377 -0.864 20 0 CBADLP CC[C@@H](C(N)=O)[NH+]1CC(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001373552708 897049790 /nfs/dbraw/zinc/04/97/90/897049790.db2.gz PLELNXPQALQSKS-LBPRGKRZSA-N 2 2 293.371 -0.497 20 0 CBADLP COC[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001373594876 897063479 /nfs/dbraw/zinc/06/34/79/897063479.db2.gz FLHPZJMHKFFXMP-STQMWFEESA-N 2 2 296.371 -0.460 20 0 CBADLP COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001373594876 897063495 /nfs/dbraw/zinc/06/34/95/897063495.db2.gz FLHPZJMHKFFXMP-STQMWFEESA-N 2 2 296.371 -0.460 20 0 CBADLP COC[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001373594876 897063514 /nfs/dbraw/zinc/06/35/14/897063514.db2.gz FLHPZJMHKFFXMP-STQMWFEESA-N 2 2 296.371 -0.460 20 0 CBADLP COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001373594876 897063524 /nfs/dbraw/zinc/06/35/24/897063524.db2.gz FLHPZJMHKFFXMP-STQMWFEESA-N 2 2 296.371 -0.460 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)C2([NH+](C)C)CCC2)C1 ZINC001373669734 897096006 /nfs/dbraw/zinc/09/60/06/897096006.db2.gz CGQGWOKNKQIXHU-LBPRGKRZSA-N 2 2 296.415 -0.251 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)C2([NH+](C)C)CCC2)C1 ZINC001373669734 897096015 /nfs/dbraw/zinc/09/60/15/897096015.db2.gz CGQGWOKNKQIXHU-LBPRGKRZSA-N 2 2 296.415 -0.251 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]C[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001374112237 897171636 /nfs/dbraw/zinc/17/16/36/897171636.db2.gz AAZFHYPDUHRDOM-QWRGUYRKSA-N 2 2 281.360 -0.641 20 0 CBADLP C[C@@H](C[NH2+]CC(N)=O)N(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001374248738 897196427 /nfs/dbraw/zinc/19/64/27/897196427.db2.gz WTICVSPBQYFPCU-WDEREUQCSA-N 2 2 293.371 -0.633 20 0 CBADLP C[C@H](C[NH2+][C@@H]1CCNC1=O)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001374301028 897207415 /nfs/dbraw/zinc/20/74/15/897207415.db2.gz GTLSRLCAYBEEEX-NXEZZACHSA-N 2 2 279.344 -0.723 20 0 CBADLP CC(C)[C@@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+][C@H](C)C(N)=O ZINC001374444730 897227649 /nfs/dbraw/zinc/22/76/49/897227649.db2.gz SXXCGGMZFNYIFI-ZYHUDNBSSA-N 2 2 295.387 -0.433 20 0 CBADLP O=C(NC[C@@H](O)C[NH2+]CC1CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001374613903 897306227 /nfs/dbraw/zinc/30/62/27/897306227.db2.gz DLCJFGNJSGPHMR-QJPTWQEYSA-N 2 2 278.356 -0.010 20 0 CBADLP O=C(NC[C@@H](O)C[NH2+]CC1CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001374613903 897306243 /nfs/dbraw/zinc/30/62/43/897306243.db2.gz DLCJFGNJSGPHMR-QJPTWQEYSA-N 2 2 278.356 -0.010 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1ncccn1 ZINC001374634358 897317139 /nfs/dbraw/zinc/31/71/39/897317139.db2.gz RRCYNWWOZSCPCG-NWDGAFQWSA-N 2 2 293.371 -0.863 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1ncccn1 ZINC001374634358 897317154 /nfs/dbraw/zinc/31/71/54/897317154.db2.gz RRCYNWWOZSCPCG-NWDGAFQWSA-N 2 2 293.371 -0.863 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H](O)C[NH2+]Cc1cccnc1 ZINC001374662207 897335201 /nfs/dbraw/zinc/33/52/01/897335201.db2.gz VANLHTRFTUKARG-GFCCVEGCSA-N 2 2 289.339 -0.386 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@@H](O)C[NH2+]Cc1cccnc1 ZINC001374678949 897340306 /nfs/dbraw/zinc/34/03/06/897340306.db2.gz XOSXWPKXBOQZCA-ZDUSSCGKSA-N 2 2 289.339 -0.455 20 0 CBADLP Cc1nonc1C[NH2+]C[C@@H](O)CNC(=O)C[NH+]1CCCC1 ZINC001374680250 897342334 /nfs/dbraw/zinc/34/23/34/897342334.db2.gz BJGGAGOZVMPFIK-LLVKDONJSA-N 2 2 297.359 -0.959 20 0 CBADLP C[C@@H]([NH2+]CC[C@H](C)NC(=O)CCc1[nH+]ccn1C)C(N)=O ZINC001374694911 897346118 /nfs/dbraw/zinc/34/61/18/897346118.db2.gz LSFDMMMEGRCBSK-WDEREUQCSA-N 2 2 295.387 -0.289 20 0 CBADLP C[C@H](CC[NH2+][C@H](C)C(N)=O)NC(=O)CCc1[nH+]ccn1C ZINC001374694869 897346353 /nfs/dbraw/zinc/34/63/53/897346353.db2.gz LSFDMMMEGRCBSK-GHMZBOCLSA-N 2 2 295.387 -0.289 20 0 CBADLP Cc1ncoc1C[NH2+]C[C@@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001374744333 897367673 /nfs/dbraw/zinc/36/76/73/897367673.db2.gz JGYQZKBRDVZCCG-ZWNOBZJWSA-N 2 2 296.371 -0.092 20 0 CBADLP Cc1ncoc1C[NH2+]C[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001374744333 897367691 /nfs/dbraw/zinc/36/76/91/897367691.db2.gz JGYQZKBRDVZCCG-ZWNOBZJWSA-N 2 2 296.371 -0.092 20 0 CBADLP C[C@H](C[NH2+][C@@H]1CCN(C)C1=O)NC(=O)Cc1c[nH]c[nH+]1 ZINC001374816986 897401207 /nfs/dbraw/zinc/40/12/07/897401207.db2.gz VFPGNNMJENLDNV-MWLCHTKSSA-N 2 2 279.344 -0.723 20 0 CBADLP C[C@H](C[NH2+]CC(=O)NC1CC1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001374827230 897402719 /nfs/dbraw/zinc/40/27/19/897402719.db2.gz WZIPKVDXBICVQY-SECBINFHSA-N 2 2 279.344 -0.675 20 0 CBADLP C[C@H](C[NH2+]CC(=O)N1CCCC1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001374825267 897405160 /nfs/dbraw/zinc/40/51/60/897405160.db2.gz IUVPQQWVMNXWIP-LLVKDONJSA-N 2 2 293.371 -0.331 20 0 CBADLP CNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001374946380 897439950 /nfs/dbraw/zinc/43/99/50/897439950.db2.gz NKXXBARVFMUHSA-ZJUUUORDSA-N 2 2 281.360 -0.571 20 0 CBADLP CNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001374946380 897439963 /nfs/dbraw/zinc/43/99/63/897439963.db2.gz NKXXBARVFMUHSA-ZJUUUORDSA-N 2 2 281.360 -0.571 20 0 CBADLP CC(C)CNC(=O)C[NH2+]C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001374934671 897440121 /nfs/dbraw/zinc/44/01/21/897440121.db2.gz BVVURVKKWPABDX-NSHDSACASA-N 2 2 295.387 -0.181 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C[NH2+]CC(=O)N(C)C ZINC001374963977 897441713 /nfs/dbraw/zinc/44/17/13/897441713.db2.gz GYZNTGOQAXGLBO-VIFPVBQESA-N 2 2 281.360 -0.557 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001374965320 897442381 /nfs/dbraw/zinc/44/23/81/897442381.db2.gz PGDGSGBSZQAWMR-WCBMZHEXSA-N 2 2 281.360 -0.511 20 0 CBADLP CC(C)N(C)C(=O)C[NH2+]C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001374983747 897446958 /nfs/dbraw/zinc/44/69/58/897446958.db2.gz OWQDESNSMOYRTC-LBPRGKRZSA-N 2 2 295.387 -0.156 20 0 CBADLP CCNC(=O)C[NH2+]C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001375257899 897501207 /nfs/dbraw/zinc/50/12/07/897501207.db2.gz JAQDXWAEVSGGMK-GFCCVEGCSA-N 2 2 293.371 -0.427 20 0 CBADLP COC[C@@H](O)C[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001375340053 897520819 /nfs/dbraw/zinc/52/08/19/897520819.db2.gz QDJFYUQKPWAXLS-IHRRRGAJSA-N 2 2 299.415 -0.332 20 0 CBADLP COC[C@@H](O)C[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001375340053 897520832 /nfs/dbraw/zinc/52/08/32/897520832.db2.gz QDJFYUQKPWAXLS-IHRRRGAJSA-N 2 2 299.415 -0.332 20 0 CBADLP COC[C@@H](O)C[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001375340053 897520847 /nfs/dbraw/zinc/52/08/47/897520847.db2.gz QDJFYUQKPWAXLS-IHRRRGAJSA-N 2 2 299.415 -0.332 20 0 CBADLP COC[C@@H](O)C[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001375340053 897520850 /nfs/dbraw/zinc/52/08/50/897520850.db2.gz QDJFYUQKPWAXLS-IHRRRGAJSA-N 2 2 299.415 -0.332 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1CC[N@@H+]1CCO ZINC001375372572 897529632 /nfs/dbraw/zinc/52/96/32/897529632.db2.gz FEXWFBRKSDKJFD-QWHCGFSZSA-N 2 2 285.388 -0.863 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1CC[N@H+]1CCO ZINC001375372572 897529649 /nfs/dbraw/zinc/52/96/49/897529649.db2.gz FEXWFBRKSDKJFD-QWHCGFSZSA-N 2 2 285.388 -0.863 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@H]1CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001375459839 897548822 /nfs/dbraw/zinc/54/88/22/897548822.db2.gz RGIJOFZBCFUMBC-RYUDHWBXSA-N 2 2 296.415 -0.265 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CC[C@H]1CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001375459839 897548837 /nfs/dbraw/zinc/54/88/37/897548837.db2.gz RGIJOFZBCFUMBC-RYUDHWBXSA-N 2 2 296.415 -0.265 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)CCC[NH+](C)C ZINC001375461957 897549511 /nfs/dbraw/zinc/54/95/11/897549511.db2.gz XDORFVDJKGQAJZ-LBPRGKRZSA-N 2 2 284.404 -0.393 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)CCC[NH+](C)C ZINC001375461957 897549518 /nfs/dbraw/zinc/54/95/18/897549518.db2.gz XDORFVDJKGQAJZ-LBPRGKRZSA-N 2 2 284.404 -0.393 20 0 CBADLP COC[C@H](O)C[NH+]1CC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001375683287 897592609 /nfs/dbraw/zinc/59/26/09/897592609.db2.gz CANOXGVLRZSFCU-KGLIPLIRSA-N 2 2 299.415 -0.379 20 0 CBADLP COC[C@H](O)C[NH+]1CC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001375683287 897592621 /nfs/dbraw/zinc/59/26/21/897592621.db2.gz CANOXGVLRZSFCU-KGLIPLIRSA-N 2 2 299.415 -0.379 20 0 CBADLP COC[C@@H](O)C[NH+]1CC(N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001375700350 897594045 /nfs/dbraw/zinc/59/40/45/897594045.db2.gz DJYZBUGOTSHMKR-OCCSQVGLSA-N 2 2 299.415 -0.522 20 0 CBADLP COC[C@@H](O)C[NH+]1CC(N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001375700350 897594068 /nfs/dbraw/zinc/59/40/68/897594068.db2.gz DJYZBUGOTSHMKR-OCCSQVGLSA-N 2 2 299.415 -0.522 20 0 CBADLP C[C@@]1(NC(=O)C[NH+]2CCCC2)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001375853387 897616182 /nfs/dbraw/zinc/61/61/82/897616182.db2.gz BPJMCDYLPKAJFL-IUODEOHRSA-N 2 2 294.399 -0.449 20 0 CBADLP C[C@@]1(NC(=O)C[NH+]2CCCC2)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001375853387 897616191 /nfs/dbraw/zinc/61/61/91/897616191.db2.gz BPJMCDYLPKAJFL-IUODEOHRSA-N 2 2 294.399 -0.449 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001376058568 897645389 /nfs/dbraw/zinc/64/53/89/897645389.db2.gz KKGURTFWTMXTCN-RYUDHWBXSA-N 2 2 296.415 -0.075 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001376058568 897645397 /nfs/dbraw/zinc/64/53/97/897645397.db2.gz KKGURTFWTMXTCN-RYUDHWBXSA-N 2 2 296.415 -0.075 20 0 CBADLP CO[C@@H](C)C[N@@H+]1CC[C@@](O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001376081141 897647702 /nfs/dbraw/zinc/64/77/02/897647702.db2.gz KRSRCSJQKLECCQ-SMDDNHRTSA-N 2 2 296.371 -0.460 20 0 CBADLP CO[C@@H](C)C[N@H+]1CC[C@@](O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001376081141 897647710 /nfs/dbraw/zinc/64/77/10/897647710.db2.gz KRSRCSJQKLECCQ-SMDDNHRTSA-N 2 2 296.371 -0.460 20 0 CBADLP CC[N@@H+]1CC[C@](O)(CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001376085644 897648856 /nfs/dbraw/zinc/64/88/56/897648856.db2.gz AEZKYCLXSGDJRS-AWEZNQCLSA-N 2 2 280.372 -0.074 20 0 CBADLP CC[N@H+]1CC[C@](O)(CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001376085644 897648860 /nfs/dbraw/zinc/64/88/60/897648860.db2.gz AEZKYCLXSGDJRS-AWEZNQCLSA-N 2 2 280.372 -0.074 20 0 CBADLP CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001376136803 897669364 /nfs/dbraw/zinc/66/93/64/897669364.db2.gz WCTLVQJETXSSAF-OCCSQVGLSA-N 2 2 298.431 -0.101 20 0 CBADLP CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001376136803 897669371 /nfs/dbraw/zinc/66/93/71/897669371.db2.gz WCTLVQJETXSSAF-OCCSQVGLSA-N 2 2 298.431 -0.101 20 0 CBADLP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001376147753 897672128 /nfs/dbraw/zinc/67/21/28/897672128.db2.gz PECVIXYJVWMGPG-GFCCVEGCSA-N 2 2 293.371 -0.352 20 0 CBADLP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001376147753 897672134 /nfs/dbraw/zinc/67/21/34/897672134.db2.gz PECVIXYJVWMGPG-GFCCVEGCSA-N 2 2 293.371 -0.352 20 0 CBADLP COC[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001376150958 897677789 /nfs/dbraw/zinc/67/77/89/897677789.db2.gz VSXQJNSUNYFCPV-OLZOCXBDSA-N 2 2 296.371 -0.529 20 0 CBADLP COC[C@H](O)C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001376167660 897680540 /nfs/dbraw/zinc/68/05/40/897680540.db2.gz CVGBIDUEDSAFNN-NWDGAFQWSA-N 2 2 282.344 -0.919 20 0 CBADLP COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001376167660 897680550 /nfs/dbraw/zinc/68/05/50/897680550.db2.gz CVGBIDUEDSAFNN-NWDGAFQWSA-N 2 2 282.344 -0.919 20 0 CBADLP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)C[NH+](C[C@H](C)O)C1 ZINC001376183819 897683646 /nfs/dbraw/zinc/68/36/46/897683646.db2.gz QPVXQPRMEDPWBG-STQMWFEESA-N 2 2 299.415 -0.596 20 0 CBADLP CCC[N@H+]1CCC[C@H]1C(=O)NCC1(O)C[NH+](C[C@H](C)O)C1 ZINC001376183819 897683665 /nfs/dbraw/zinc/68/36/65/897683665.db2.gz QPVXQPRMEDPWBG-STQMWFEESA-N 2 2 299.415 -0.596 20 0 CBADLP O=C(NC[C@H]([NH2+]CCO)C1CC1)[C@H]1CCc2c[nH+]cn2C1 ZINC001376214825 897689759 /nfs/dbraw/zinc/68/97/59/897689759.db2.gz IQQZADTWWPCKHB-JSGCOSHPSA-N 2 2 292.383 -0.078 20 0 CBADLP CC[C@@H]([NH2+][C@H](CNC(=O)Cc1[nH]cc[nH+]1)C1CC1)C(N)=O ZINC001376249216 897698653 /nfs/dbraw/zinc/69/86/53/897698653.db2.gz JZZMKZKRZIWFEA-GHMZBOCLSA-N 2 2 293.371 -0.300 20 0 CBADLP CC[NH+]1CC(O)(CNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001376297130 897705326 /nfs/dbraw/zinc/70/53/26/897705326.db2.gz NDEMDALCGSJXLI-GFCCVEGCSA-N 2 2 285.388 -0.863 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001376348100 897717884 /nfs/dbraw/zinc/71/78/84/897717884.db2.gz YJFPSDDIFAWAPQ-ZJUUUORDSA-N 2 2 279.344 -0.723 20 0 CBADLP CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)C1)C(N)=O ZINC001376395806 897724187 /nfs/dbraw/zinc/72/41/87/897724187.db2.gz SFICCBYYYDNVAF-SRVKXCTJSA-N 2 2 293.371 -0.226 20 0 CBADLP CNC(=O)C[NH2+]C1CCC(NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001376672187 897796355 /nfs/dbraw/zinc/79/63/55/897796355.db2.gz DIUUWSDMAJEGNE-UHFFFAOYSA-N 2 2 293.371 -0.285 20 0 CBADLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]CCn1cncn1 ZINC001376849949 897867125 /nfs/dbraw/zinc/86/71/25/897867125.db2.gz ARKDISYUGVIENC-NSHDSACASA-N 2 2 291.359 -0.651 20 0 CBADLP CCCNC(=O)[C@H](C)[NH2+][C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001376890816 897884872 /nfs/dbraw/zinc/88/48/72/897884872.db2.gz YLESCKVBJNYORU-RYUDHWBXSA-N 2 2 295.387 -0.108 20 0 CBADLP C[C@H](CCNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@H]1CCNC1=O ZINC001377079039 897923923 /nfs/dbraw/zinc/92/39/23/897923923.db2.gz FFZUJPISUVNRAP-ZJUUUORDSA-N 2 2 279.344 -0.675 20 0 CBADLP CC[C@H](C(=O)NC[C@@H](C)NC(=O)Cn1cc[nH+]c1)[NH+](C)C ZINC001377107706 897931298 /nfs/dbraw/zinc/93/12/98/897931298.db2.gz WHYQDQNVBVPZOV-VXGBXAGGSA-N 2 2 295.387 -0.156 20 0 CBADLP CC(C)N(C)C(=O)C[N@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001377205298 897965062 /nfs/dbraw/zinc/96/50/62/897965062.db2.gz IRTWLQGMLQPHGR-CYBMUJFWSA-N 2 2 298.431 -0.005 20 0 CBADLP CC(C)N(C)C(=O)C[N@@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001377205298 897965067 /nfs/dbraw/zinc/96/50/67/897965067.db2.gz IRTWLQGMLQPHGR-CYBMUJFWSA-N 2 2 298.431 -0.005 20 0 CBADLP CC(C)N(C)C(=O)C[NH+](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001377205298 897965069 /nfs/dbraw/zinc/96/50/69/897965069.db2.gz IRTWLQGMLQPHGR-CYBMUJFWSA-N 2 2 298.431 -0.005 20 0 CBADLP CC(C)N(C)C(=O)C[NH+](C)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001377205298 897965075 /nfs/dbraw/zinc/96/50/75/897965075.db2.gz IRTWLQGMLQPHGR-CYBMUJFWSA-N 2 2 298.431 -0.005 20 0 CBADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[N@H+](C)CCCO ZINC001377221084 897968746 /nfs/dbraw/zinc/96/87/46/897968746.db2.gz GKYJOXQWEOYZJC-VXGBXAGGSA-N 2 2 280.372 -0.046 20 0 CBADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[N@@H+](C)CCCO ZINC001377221084 897968769 /nfs/dbraw/zinc/96/87/69/897968769.db2.gz GKYJOXQWEOYZJC-VXGBXAGGSA-N 2 2 280.372 -0.046 20 0 CBADLP CNC(=O)C[N@H+](C)CCNC(=O)CC1CC[NH+](C)CC1 ZINC001377228436 897974740 /nfs/dbraw/zinc/97/47/40/897974740.db2.gz LETHJSXKUKOXRX-UHFFFAOYSA-N 2 2 284.404 -0.488 20 0 CBADLP CNC(=O)C[N@@H+](C)CCNC(=O)CC1CC[NH+](C)CC1 ZINC001377228436 897974750 /nfs/dbraw/zinc/97/47/50/897974750.db2.gz LETHJSXKUKOXRX-UHFFFAOYSA-N 2 2 284.404 -0.488 20 0 CBADLP COC[C@@H](O)C[N@H+](C)CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001377252461 897985949 /nfs/dbraw/zinc/98/59/49/897985949.db2.gz YANWVDHWUQLARB-NSHDSACASA-N 2 2 284.360 -0.684 20 0 CBADLP COC[C@@H](O)C[N@@H+](C)CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001377252461 897985956 /nfs/dbraw/zinc/98/59/56/897985956.db2.gz YANWVDHWUQLARB-NSHDSACASA-N 2 2 284.360 -0.684 20 0 CBADLP CNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001377398646 898035753 /nfs/dbraw/zinc/03/57/53/898035753.db2.gz OVGXAHKAGVHGGS-GFCCVEGCSA-N 2 2 293.371 -0.400 20 0 CBADLP CNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001377398646 898035770 /nfs/dbraw/zinc/03/57/70/898035770.db2.gz OVGXAHKAGVHGGS-GFCCVEGCSA-N 2 2 293.371 -0.400 20 0 CBADLP O=C(C[NH+]1CCCC1)NC[C@H]1CCC[N@@H+]1[C@@H]1CCNC1=O ZINC001377429487 898043825 /nfs/dbraw/zinc/04/38/25/898043825.db2.gz UQWHGGMQYHFJAX-CHWSQXEVSA-N 2 2 294.399 -0.449 20 0 CBADLP O=C(C[NH+]1CCCC1)NC[C@H]1CCC[N@H+]1[C@@H]1CCNC1=O ZINC001377429487 898043836 /nfs/dbraw/zinc/04/38/36/898043836.db2.gz UQWHGGMQYHFJAX-CHWSQXEVSA-N 2 2 294.399 -0.449 20 0 CBADLP COc1cc[nH+]cc1CC(=O)NCC[C@H](C)[NH2+]CC(N)=O ZINC001377449186 898053245 /nfs/dbraw/zinc/05/32/45/898053245.db2.gz GYZGQJPLGNACSU-JTQLQIEISA-N 2 2 294.355 -0.398 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001377449026 898054889 /nfs/dbraw/zinc/05/48/89/898054889.db2.gz UPEJANVGLIEWRA-RYUDHWBXSA-N 2 2 293.371 -0.415 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CC[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001377449026 898054903 /nfs/dbraw/zinc/05/49/03/898054903.db2.gz UPEJANVGLIEWRA-RYUDHWBXSA-N 2 2 293.371 -0.415 20 0 CBADLP COCC[NH+]1CCC(CO)(NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001377574773 898090895 /nfs/dbraw/zinc/09/08/95/898090895.db2.gz OFBASQRBCBCDQL-UHFFFAOYSA-N 2 2 296.371 -0.458 20 0 CBADLP C[C@H](NC(=O)Cc1c[nH]c[nH+]1)[C@H](C)[NH2+]CC(=O)NC1CC1 ZINC001377854480 898146156 /nfs/dbraw/zinc/14/61/56/898146156.db2.gz DYLLHNBLTIXJQM-UWVGGRQHSA-N 2 2 293.371 -0.286 20 0 CBADLP CNC(=O)C[NH+]1CC(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001377987287 898189302 /nfs/dbraw/zinc/18/93/02/898189302.db2.gz VSRGXALOHSPTMX-UHFFFAOYSA-N 2 2 282.388 -0.878 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NCC1C[NH+](CC(=O)N(C)C)C1 ZINC001377981739 898189980 /nfs/dbraw/zinc/18/99/80/898189980.db2.gz ABQSHAUXPINPBQ-UHFFFAOYSA-N 2 2 293.371 -0.672 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CC(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001377994963 898191691 /nfs/dbraw/zinc/19/16/91/898191691.db2.gz HHTRUAIXUJVLFB-GHMZBOCLSA-N 2 2 282.388 -0.750 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CC(CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001377994963 898191700 /nfs/dbraw/zinc/19/17/00/898191700.db2.gz HHTRUAIXUJVLFB-GHMZBOCLSA-N 2 2 282.388 -0.750 20 0 CBADLP CC[C@@H](C(=O)NCC1C[NH+](CC(=O)N(C)C)C1)[NH+](C)C ZINC001377995807 898192452 /nfs/dbraw/zinc/19/24/52/898192452.db2.gz KDIATVYXPOWIFD-LBPRGKRZSA-N 2 2 284.404 -0.537 20 0 CBADLP CC(C)[C@@H](C(=O)NCC1C[NH+]([C@H](C)C(N)=O)C1)[NH+](C)C ZINC001378012426 898197054 /nfs/dbraw/zinc/19/70/54/898197054.db2.gz VIYVQQITNPBGQF-PWSUYJOCSA-N 2 2 284.404 -0.506 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001378014213 898198490 /nfs/dbraw/zinc/19/84/90/898198490.db2.gz DUTDBJJTHGYCLN-WDEREUQCSA-N 2 2 282.388 -0.750 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001378014213 898198493 /nfs/dbraw/zinc/19/84/93/898198493.db2.gz DUTDBJJTHGYCLN-WDEREUQCSA-N 2 2 282.388 -0.750 20 0 CBADLP CCC[N@H+](C)CC(=O)NCC1C[NH+](CC(=O)NC)C1 ZINC001378016738 898203538 /nfs/dbraw/zinc/20/35/38/898203538.db2.gz RWYOPIFJAMCCDI-UHFFFAOYSA-N 2 2 270.377 -0.878 20 0 CBADLP CCC[N@@H+](C)CC(=O)NCC1C[NH+](CC(=O)NC)C1 ZINC001378016738 898203555 /nfs/dbraw/zinc/20/35/55/898203555.db2.gz RWYOPIFJAMCCDI-UHFFFAOYSA-N 2 2 270.377 -0.878 20 0 CBADLP C[C@@H](CNC(=O)c1cc(C[NH+](C)C)on1)[N@H+](C)CCO ZINC001378082449 898227675 /nfs/dbraw/zinc/22/76/75/898227675.db2.gz QXCFWDRUBYFCHX-JTQLQIEISA-N 2 2 284.360 -0.221 20 0 CBADLP C[C@@H](CNC(=O)c1cc(C[NH+](C)C)on1)[N@@H+](C)CCO ZINC001378082449 898227689 /nfs/dbraw/zinc/22/76/89/898227689.db2.gz QXCFWDRUBYFCHX-JTQLQIEISA-N 2 2 284.360 -0.221 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001454624073 914237601 /nfs/dbraw/zinc/23/76/01/914237601.db2.gz YYNRJPWHKJYHAM-WDEREUQCSA-N 2 2 293.371 -0.475 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001454624073 914237619 /nfs/dbraw/zinc/23/76/19/914237619.db2.gz YYNRJPWHKJYHAM-WDEREUQCSA-N 2 2 293.371 -0.475 20 0 CBADLP CC[C@H](CNC(=O)CCn1cc[nH+]c1)[NH2+][C@@H]1CCNC1=O ZINC001378281701 898303511 /nfs/dbraw/zinc/30/35/11/898303511.db2.gz GHLJUVAQHKRIIG-VXGBXAGGSA-N 2 2 293.371 -0.354 20 0 CBADLP CC[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@@H]1CCNC1=O ZINC001378306489 898307492 /nfs/dbraw/zinc/30/74/92/898307492.db2.gz BZAWRKKTFRTJKJ-VHSXEESVSA-N 2 2 279.344 -0.675 20 0 CBADLP C[C@@](C[NH2+]CC(N)=O)(NC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001378404924 898327381 /nfs/dbraw/zinc/32/73/81/898327381.db2.gz YCLVVGHQCSEIBA-ZDUSSCGKSA-N 2 2 279.344 -0.688 20 0 CBADLP COC[C@H](O)C[NH+]1CC([C@@H](C)NC(=O)Cn2cc[nH+]c2)C1 ZINC001378597259 898361982 /nfs/dbraw/zinc/36/19/82/898361982.db2.gz VDXQSNKBDSHEPI-DGCLKSJQSA-N 2 2 296.371 -0.673 20 0 CBADLP CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001378596380 898364460 /nfs/dbraw/zinc/36/44/60/898364460.db2.gz YVDYDHWRVVMQDZ-NWDGAFQWSA-N 2 2 296.415 -0.489 20 0 CBADLP CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001378596380 898364477 /nfs/dbraw/zinc/36/44/77/898364477.db2.gz YVDYDHWRVVMQDZ-NWDGAFQWSA-N 2 2 296.415 -0.489 20 0 CBADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)C[NH2+][C@@H]1CCCNC1=O ZINC001378614486 898369103 /nfs/dbraw/zinc/36/91/03/898369103.db2.gz PVXRKEJSZGVTQU-CMPLNLGQSA-N 2 2 293.371 -0.427 20 0 CBADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)C[NH2+]CC(=O)N1CCC1 ZINC001378618069 898370892 /nfs/dbraw/zinc/37/08/92/898370892.db2.gz SAHYDFMBFYYBOP-NSHDSACASA-N 2 2 293.371 -0.474 20 0 CBADLP CC(C)[C@@H](C(=O)NC[C@@H]1C[N@H+](CCO)CCO1)[NH+](C)C ZINC001378657465 898384069 /nfs/dbraw/zinc/38/40/69/898384069.db2.gz AUKUUEWLNOMZJN-OLZOCXBDSA-N 2 2 287.404 -0.618 20 0 CBADLP CC(C)[C@@H](C(=O)NC[C@@H]1C[N@@H+](CCO)CCO1)[NH+](C)C ZINC001378657465 898384082 /nfs/dbraw/zinc/38/40/82/898384082.db2.gz AUKUUEWLNOMZJN-OLZOCXBDSA-N 2 2 287.404 -0.618 20 0 CBADLP C[C@@H](C[NH2+]CC(=O)N(C)C)N(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001378786310 898412162 /nfs/dbraw/zinc/41/21/62/898412162.db2.gz XZGCMDGWJUJWCC-NSHDSACASA-N 2 2 295.387 -0.133 20 0 CBADLP C[C@@H](C[NH2+]CC(=O)N(C)C)N(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001378786310 898412175 /nfs/dbraw/zinc/41/21/75/898412175.db2.gz XZGCMDGWJUJWCC-NSHDSACASA-N 2 2 295.387 -0.133 20 0 CBADLP CC(C)[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]CC(N)=O ZINC001378956562 898436836 /nfs/dbraw/zinc/43/68/36/898436836.db2.gz GCENTHORIOQYKN-MXWKQRLJSA-N 2 2 293.371 -0.271 20 0 CBADLP CC(C)[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[NH2+]CC(N)=O ZINC001378956562 898436843 /nfs/dbraw/zinc/43/68/43/898436843.db2.gz GCENTHORIOQYKN-MXWKQRLJSA-N 2 2 293.371 -0.271 20 0 CBADLP CNC(=O)C[NH2+][C@H](CNC(=O)CCn1cc[nH+]c1)C(C)C ZINC001378974137 898437085 /nfs/dbraw/zinc/43/70/85/898437085.db2.gz XZMDKQUZYCBPMT-GFCCVEGCSA-N 2 2 295.387 -0.250 20 0 CBADLP CN(CC[N@H+](C)CC(N)=O)C(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001379070589 898457863 /nfs/dbraw/zinc/45/78/63/898457863.db2.gz BEBZCHXKXJWJKW-QWHCGFSZSA-N 2 2 296.415 -0.121 20 0 CBADLP CN(CC[N@@H+](C)CC(N)=O)C(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001379070589 898457866 /nfs/dbraw/zinc/45/78/66/898457866.db2.gz BEBZCHXKXJWJKW-QWHCGFSZSA-N 2 2 296.415 -0.121 20 0 CBADLP CN(CC[NH+](C)CC(N)=O)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001379070589 898457870 /nfs/dbraw/zinc/45/78/70/898457870.db2.gz BEBZCHXKXJWJKW-QWHCGFSZSA-N 2 2 296.415 -0.121 20 0 CBADLP CN(CC[NH+](C)CC(N)=O)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001379070589 898457872 /nfs/dbraw/zinc/45/78/72/898457872.db2.gz BEBZCHXKXJWJKW-QWHCGFSZSA-N 2 2 296.415 -0.121 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NC[C@@H](O)C[NH2+]Cc1ccon1 ZINC001379240095 898517028 /nfs/dbraw/zinc/51/70/28/898517028.db2.gz XTHPNJODAYAHCL-LBPRGKRZSA-N 2 2 293.327 -0.554 20 0 CBADLP C[C@@H](CN(C)C(=O)Cc1c[nH+]cn1C)[NH2+][C@@H](C)C(N)=O ZINC001379278311 898535720 /nfs/dbraw/zinc/53/57/20/898535720.db2.gz PCSDLRFUTTVSMJ-UWVGGRQHSA-N 2 2 281.360 -0.727 20 0 CBADLP COC[C@H](O)C[NH2+][C@@H](C)CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001379311095 898545862 /nfs/dbraw/zinc/54/58/62/898545862.db2.gz JMVMWAOSHOOVOO-CMPLNLGQSA-N 2 2 298.387 -0.296 20 0 CBADLP CC[N@H+](C)CCC(=O)N[C@@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001454794238 914262360 /nfs/dbraw/zinc/26/23/60/914262360.db2.gz WDZXWCLKAYHWDY-NSHDSACASA-N 2 2 295.387 -0.085 20 0 CBADLP CC[N@@H+](C)CCC(=O)N[C@@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001454794238 914262376 /nfs/dbraw/zinc/26/23/76/914262376.db2.gz WDZXWCLKAYHWDY-NSHDSACASA-N 2 2 295.387 -0.085 20 0 CBADLP CC(C)[NH2+][C@H](CO)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001379437839 898613081 /nfs/dbraw/zinc/61/30/81/898613081.db2.gz QWIOBKOEQPRZPK-NEPJUHHUSA-N 2 2 280.372 -0.079 20 0 CBADLP CC(C)[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001379437880 898613807 /nfs/dbraw/zinc/61/38/07/898613807.db2.gz QWIOBKOEQPRZPK-VXGBXAGGSA-N 2 2 280.372 -0.079 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001379470560 898624671 /nfs/dbraw/zinc/62/46/71/898624671.db2.gz XWVHCWSUWCZLDD-SNVBAGLBSA-N 2 2 298.391 -0.957 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001379470560 898624683 /nfs/dbraw/zinc/62/46/83/898624683.db2.gz XWVHCWSUWCZLDD-SNVBAGLBSA-N 2 2 298.391 -0.957 20 0 CBADLP C[C@H](C[NH2+]Cc1cnn(C)c1)NC(=O)Cn1cc[nH+]c1 ZINC001379481563 898633340 /nfs/dbraw/zinc/63/33/40/898633340.db2.gz MUQCVIBRSQYCMJ-LLVKDONJSA-N 2 2 276.344 -0.089 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H](CO)[NH2+]CC[C@@H]1CCOC1 ZINC001379485540 898636182 /nfs/dbraw/zinc/63/61/82/898636182.db2.gz UWWJDXYUTBQNNQ-DGCLKSJQSA-N 2 2 296.371 -0.555 20 0 CBADLP C[C@@H](C[NH2+][C@@H](C)C(N)=O)NC(=O)CCc1[nH+]ccn1C ZINC001379528447 898658653 /nfs/dbraw/zinc/65/86/53/898658653.db2.gz BEPPFXWPPHHGFU-UWVGGRQHSA-N 2 2 281.360 -0.679 20 0 CBADLP CCCNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001379561800 898667763 /nfs/dbraw/zinc/66/77/63/898667763.db2.gz MXUHMDIGIWHIFY-WDEREUQCSA-N 2 2 295.387 -0.039 20 0 CBADLP CNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[NH+]1C ZINC001379700809 898702879 /nfs/dbraw/zinc/70/28/79/898702879.db2.gz RSULSRUDQZMSMX-NEPJUHHUSA-N 2 2 284.404 -0.347 20 0 CBADLP CNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[NH+]1C ZINC001379700809 898702886 /nfs/dbraw/zinc/70/28/86/898702886.db2.gz RSULSRUDQZMSMX-NEPJUHHUSA-N 2 2 284.404 -0.347 20 0 CBADLP CNC(=O)C[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001379700809 898702894 /nfs/dbraw/zinc/70/28/94/898702894.db2.gz RSULSRUDQZMSMX-NEPJUHHUSA-N 2 2 284.404 -0.347 20 0 CBADLP CNC(=O)C[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001379700809 898702899 /nfs/dbraw/zinc/70/28/99/898702899.db2.gz RSULSRUDQZMSMX-NEPJUHHUSA-N 2 2 284.404 -0.347 20 0 CBADLP CNC(=O)[C@H](C)[N@H+](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001379792902 898730644 /nfs/dbraw/zinc/73/06/44/898730644.db2.gz SZDYPFNLWQOZFE-QWRGUYRKSA-N 2 2 295.387 -0.237 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001379792902 898730658 /nfs/dbraw/zinc/73/06/58/898730658.db2.gz SZDYPFNLWQOZFE-QWRGUYRKSA-N 2 2 295.387 -0.237 20 0 CBADLP CNC(=O)[C@H](C)[N@H+](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001379792901 898731666 /nfs/dbraw/zinc/73/16/66/898731666.db2.gz SZDYPFNLWQOZFE-MNOVXSKESA-N 2 2 295.387 -0.237 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001379792901 898731679 /nfs/dbraw/zinc/73/16/79/898731679.db2.gz SZDYPFNLWQOZFE-MNOVXSKESA-N 2 2 295.387 -0.237 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001379811113 898734546 /nfs/dbraw/zinc/73/45/46/898734546.db2.gz VLUIRBOPTAVBDY-QWRGUYRKSA-N 2 2 281.360 -0.417 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001379811113 898734553 /nfs/dbraw/zinc/73/45/53/898734553.db2.gz VLUIRBOPTAVBDY-QWRGUYRKSA-N 2 2 281.360 -0.417 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)N[C@H](C[NH2+][C@H]1CCNC1=O)C1CC1 ZINC001379904403 898755416 /nfs/dbraw/zinc/75/54/16/898755416.db2.gz MSNQSHROUUEGGB-NWDGAFQWSA-N 2 2 291.355 -0.675 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001380020424 898786334 /nfs/dbraw/zinc/78/63/34/898786334.db2.gz VAARYWAAGWSYMW-MNOVXSKESA-N 2 2 270.377 -0.608 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001380020424 898786346 /nfs/dbraw/zinc/78/63/46/898786346.db2.gz VAARYWAAGWSYMW-MNOVXSKESA-N 2 2 270.377 -0.608 20 0 CBADLP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@@H](C)C1 ZINC001380272144 898847083 /nfs/dbraw/zinc/84/70/83/898847083.db2.gz STOKVUQDXNUNTJ-NWDGAFQWSA-N 2 2 293.371 -0.402 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@]1(C)CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001380351944 898860508 /nfs/dbraw/zinc/86/05/08/898860508.db2.gz FJRQPOUYRZDIQP-BXUZGUMPSA-N 2 2 293.371 -0.354 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@]1(C)CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001380351944 898860523 /nfs/dbraw/zinc/86/05/23/898860523.db2.gz FJRQPOUYRZDIQP-BXUZGUMPSA-N 2 2 293.371 -0.354 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@@]1(C)CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001380351956 898864156 /nfs/dbraw/zinc/86/41/56/898864156.db2.gz FJRQPOUYRZDIQP-RISCZKNCSA-N 2 2 293.371 -0.354 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@@]1(C)CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001380351956 898864170 /nfs/dbraw/zinc/86/41/70/898864170.db2.gz FJRQPOUYRZDIQP-RISCZKNCSA-N 2 2 293.371 -0.354 20 0 CBADLP CNC(=O)C[NH2+]C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC001380683519 898934989 /nfs/dbraw/zinc/93/49/89/898934989.db2.gz BWMQUUJZFDFCRS-QWRGUYRKSA-N 2 2 293.371 -0.618 20 0 CBADLP CNC(=O)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001380688615 898935327 /nfs/dbraw/zinc/93/53/27/898935327.db2.gz XRECVAJWBSWHEY-QWRGUYRKSA-N 2 2 293.371 -0.475 20 0 CBADLP CN(CCC[N@H+](C)[C@@H]1CCNC1=O)C(=O)Cc1c[nH+]c[nH]1 ZINC001380973126 898982277 /nfs/dbraw/zinc/98/22/77/898982277.db2.gz TUGYWPXKEIMSKG-GFCCVEGCSA-N 2 2 293.371 -0.379 20 0 CBADLP CN(CCC[N@@H+](C)[C@@H]1CCNC1=O)C(=O)Cc1c[nH+]c[nH]1 ZINC001380973126 898982283 /nfs/dbraw/zinc/98/22/83/898982283.db2.gz TUGYWPXKEIMSKG-GFCCVEGCSA-N 2 2 293.371 -0.379 20 0 CBADLP CNC(=O)C[NH2+][C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC001381113515 898998577 /nfs/dbraw/zinc/99/85/77/898998577.db2.gz KLNZXPFBZKPORT-UWVGGRQHSA-N 2 2 279.344 -0.865 20 0 CBADLP C[C@H]([NH2+]CC1CC(NC(=O)Cc2c[nH]c[nH+]2)C1)C(N)=O ZINC001381340216 899032286 /nfs/dbraw/zinc/03/22/86/899032286.db2.gz WXSMSEOYOJKVEK-IDKOKCKLSA-N 2 2 279.344 -0.690 20 0 CBADLP CNC(=O)C[NH2+]CC1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001381335354 899034627 /nfs/dbraw/zinc/03/46/27/899034627.db2.gz PAMXDUQOKITSGK-UHFFFAOYSA-N 2 2 279.344 -0.817 20 0 CBADLP C[C@@H]([NH2+]CC(C)(C)CN(C)C(=O)Cc1c[nH+]c[nH]1)C(N)=O ZINC001381484077 899058361 /nfs/dbraw/zinc/05/83/61/899058361.db2.gz XHUQNTUWOKTULR-SNVBAGLBSA-N 2 2 295.387 -0.100 20 0 CBADLP COC[C@H](O)C[N@H+](C)[C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001381607492 899090842 /nfs/dbraw/zinc/09/08/42/899090842.db2.gz XISQZRTZTBDRJE-WDEREUQCSA-N 2 2 284.360 -0.604 20 0 CBADLP COC[C@H](O)C[N@@H+](C)[C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001381607492 899090860 /nfs/dbraw/zinc/09/08/60/899090860.db2.gz XISQZRTZTBDRJE-WDEREUQCSA-N 2 2 284.360 -0.604 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C1C[NH+](CC(N)=O)C1 ZINC001381789357 899111510 /nfs/dbraw/zinc/11/15/10/899111510.db2.gz PJFLJEAVYMXGFJ-JTQLQIEISA-N 2 2 279.344 -0.887 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@H](C)C1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001381804877 899116380 /nfs/dbraw/zinc/11/63/80/899116380.db2.gz SYNOZNUIDWWEBL-MNOVXSKESA-N 2 2 293.371 -0.498 20 0 CBADLP C[C@@H](CN(C)C(=O)Cn1cc[nH+]c1)NC(=O)CC[NH+](C)C ZINC001382053196 899146325 /nfs/dbraw/zinc/14/63/25/899146325.db2.gz BVKDVAAVWAXZHH-LBPRGKRZSA-N 2 2 295.387 -0.202 20 0 CBADLP C[C@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)[NH2+][C@H](C)C(=O)N(C)C ZINC001382126582 899159758 /nfs/dbraw/zinc/15/97/58/899159758.db2.gz XSYJKXSGKVNKPT-GHMZBOCLSA-N 2 2 295.387 -0.135 20 0 CBADLP CNC(=O)C[NH2+][C@H](C)CN(C)C(=O)CCn1cc[nH+]c1 ZINC001382125553 899159874 /nfs/dbraw/zinc/15/98/74/899159874.db2.gz OHICFHIDCFTWQY-LLVKDONJSA-N 2 2 281.360 -0.544 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]Cc1cnns1 ZINC001382185610 899179867 /nfs/dbraw/zinc/17/98/67/899179867.db2.gz QGEDBHPHUZJCSV-GXSJLCMTSA-N 2 2 299.400 -0.801 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]Cc1cnns1 ZINC001382185610 899179875 /nfs/dbraw/zinc/17/98/75/899179875.db2.gz QGEDBHPHUZJCSV-GXSJLCMTSA-N 2 2 299.400 -0.801 20 0 CBADLP O=C(NC[C@@H](CO)[NH2+]CCO)c1cc2c[nH+]ccc2[nH]1 ZINC001382208642 899194587 /nfs/dbraw/zinc/19/45/87/899194587.db2.gz GOTCNIGKTJIGQS-JTQLQIEISA-N 2 2 278.312 -0.765 20 0 CBADLP CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc1ccn(C)n1)[NH+](C)C ZINC001382237979 899200620 /nfs/dbraw/zinc/20/06/20/899200620.db2.gz FAQOWRDZIKDQNQ-STQMWFEESA-N 2 2 297.403 -0.673 20 0 CBADLP C[C@H]1[C@H]([NH2+]Cc2nnn(C)n2)CCN1C(=O)CC[NH+](C)C ZINC001382293210 899238190 /nfs/dbraw/zinc/23/81/90/899238190.db2.gz XTHDMQALZJVOMO-WDEREUQCSA-N 2 2 295.391 -0.759 20 0 CBADLP CCNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)Cn2cc[nH+]c2)C1 ZINC001382320124 899248130 /nfs/dbraw/zinc/24/81/30/899248130.db2.gz YEKOXSLVXWOYBA-RYUDHWBXSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)NC(=O)CC[NH+](C)C ZINC001386320061 899650985 /nfs/dbraw/zinc/65/09/85/899650985.db2.gz BAFXJAJJKMPHAI-NSHDSACASA-N 2 2 295.387 -0.085 20 0 CBADLP C[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)NC(=O)CC[NH+](C)C ZINC001386320061 899650990 /nfs/dbraw/zinc/65/09/90/899650990.db2.gz BAFXJAJJKMPHAI-NSHDSACASA-N 2 2 295.387 -0.085 20 0 CBADLP C[C@H](CNC(=O)CCc1c[nH]c[nH+]1)NC(=O)CC[NH+](C)C ZINC001386320060 899652627 /nfs/dbraw/zinc/65/26/27/899652627.db2.gz BAFXJAJJKMPHAI-LLVKDONJSA-N 2 2 295.387 -0.085 20 0 CBADLP C[C@H](CNC(=O)CCc1c[nH+]c[nH]1)NC(=O)CC[NH+](C)C ZINC001386320060 899652635 /nfs/dbraw/zinc/65/26/35/899652635.db2.gz BAFXJAJJKMPHAI-LLVKDONJSA-N 2 2 295.387 -0.085 20 0 CBADLP CN(CCNC(=O)Cn1cc[nH+]c1)C(=O)CC[NH+](C)C ZINC001386979110 899738259 /nfs/dbraw/zinc/73/82/59/899738259.db2.gz POSZYYDJXDPJKN-UHFFFAOYSA-N 2 2 281.360 -0.591 20 0 CBADLP CCC[N@H+](C)CC(=O)NC[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001386998739 899740737 /nfs/dbraw/zinc/74/07/37/899740737.db2.gz WEPSFCZKPZYSLI-NSHDSACASA-N 2 2 295.387 -0.085 20 0 CBADLP CCC[N@@H+](C)CC(=O)NC[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001386998739 899740751 /nfs/dbraw/zinc/74/07/51/899740751.db2.gz WEPSFCZKPZYSLI-NSHDSACASA-N 2 2 295.387 -0.085 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N(C)CCNC(=O)CC[NH+](C)C ZINC001387095504 899760962 /nfs/dbraw/zinc/76/09/62/899760962.db2.gz WNCMPKCOUOLCSP-UHFFFAOYSA-N 2 2 295.387 -0.213 20 0 CBADLP CCC[N@H+](C)CC(=O)NC1CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001387787627 899828860 /nfs/dbraw/zinc/82/88/60/899828860.db2.gz IBAODLILTZBJDU-UHFFFAOYSA-N 2 2 293.371 -0.379 20 0 CBADLP CCC[N@@H+](C)CC(=O)NC1CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001387787627 899828867 /nfs/dbraw/zinc/82/88/67/899828867.db2.gz IBAODLILTZBJDU-UHFFFAOYSA-N 2 2 293.371 -0.379 20 0 CBADLP CC[C@@H](C(=O)N(C)CCNC(=O)Cc1[nH]cc[nH+]1)[NH+](C)C ZINC001388014977 899860486 /nfs/dbraw/zinc/86/04/86/899860486.db2.gz DHYGSDUZLSZQHI-NSHDSACASA-N 2 2 295.387 -0.133 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@H]1CN(C)C(=O)CCC[NH+](C)C ZINC001388650231 899898909 /nfs/dbraw/zinc/89/89/09/899898909.db2.gz VARDPTQEGRFHFR-RYUDHWBXSA-N 2 2 284.404 -0.265 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CC[C@H]1CN(C)C(=O)CCC[NH+](C)C ZINC001388650231 899898914 /nfs/dbraw/zinc/89/89/14/899898914.db2.gz VARDPTQEGRFHFR-RYUDHWBXSA-N 2 2 284.404 -0.265 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001388692347 899901434 /nfs/dbraw/zinc/90/14/34/899901434.db2.gz HVXAPQGHTDBAGI-GARJFASQSA-N 2 2 293.371 -0.429 20 0 CBADLP C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)CCn2cc[nH+]c2)C1)C(N)=O ZINC001388688739 899901662 /nfs/dbraw/zinc/90/16/62/899901662.db2.gz JXVOSEPCLYSSTF-SDDRHHMPSA-N 2 2 293.371 -0.369 20 0 CBADLP NC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001388755075 899906563 /nfs/dbraw/zinc/90/65/63/899906563.db2.gz ZNSKHJMWOACHTI-NWDGAFQWSA-N 2 2 293.371 -0.367 20 0 CBADLP C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H](C[NH2+]CC(N)=O)C1 ZINC001388767885 899908853 /nfs/dbraw/zinc/90/88/53/899908853.db2.gz UPHKCDVFMAFBTO-PWSUYJOCSA-N 2 2 293.371 -0.346 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[N@@H+]1CC(N)=O ZINC001388818805 899912848 /nfs/dbraw/zinc/91/28/48/899912848.db2.gz BYPPPWQWIWOHTJ-PWSUYJOCSA-N 2 2 282.388 -0.465 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[N@H+]1CC(N)=O ZINC001388818805 899912862 /nfs/dbraw/zinc/91/28/62/899912862.db2.gz BYPPPWQWIWOHTJ-PWSUYJOCSA-N 2 2 282.388 -0.465 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)C[N@H+](C)C2CCC2)CC[NH+]1CC(N)=O ZINC001388818805 899912874 /nfs/dbraw/zinc/91/28/74/899912874.db2.gz BYPPPWQWIWOHTJ-PWSUYJOCSA-N 2 2 282.388 -0.465 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)C[N@@H+](C)C2CCC2)CC[NH+]1CC(N)=O ZINC001388818805 899912889 /nfs/dbraw/zinc/91/28/89/899912889.db2.gz BYPPPWQWIWOHTJ-PWSUYJOCSA-N 2 2 282.388 -0.465 20 0 CBADLP C[N@H+](CC(=O)N[C@@H]1CCC[NH+](CC(N)=O)C1)C1CCC1 ZINC001389381374 900001121 /nfs/dbraw/zinc/00/11/21/900001121.db2.gz ZIIXJJBMTRMQOJ-LLVKDONJSA-N 2 2 282.388 -0.463 20 0 CBADLP C[N@@H+](CC(=O)N[C@@H]1CCC[NH+](CC(N)=O)C1)C1CCC1 ZINC001389381374 900001125 /nfs/dbraw/zinc/00/11/25/900001125.db2.gz ZIIXJJBMTRMQOJ-LLVKDONJSA-N 2 2 282.388 -0.463 20 0 CBADLP C[NH+](CC(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1)C1CCC1 ZINC001389381374 900001131 /nfs/dbraw/zinc/00/11/31/900001131.db2.gz ZIIXJJBMTRMQOJ-LLVKDONJSA-N 2 2 282.388 -0.463 20 0 CBADLP C[NH+](CC(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1)C1CCC1 ZINC001389381374 900001135 /nfs/dbraw/zinc/00/11/35/900001135.db2.gz ZIIXJJBMTRMQOJ-LLVKDONJSA-N 2 2 282.388 -0.463 20 0 CBADLP CC(C)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001389508379 900032636 /nfs/dbraw/zinc/03/26/36/900032636.db2.gz JSKMULILLDPMTE-CYBMUJFWSA-N 2 2 296.415 -0.203 20 0 CBADLP CC(C)NC(=O)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001389508379 900032649 /nfs/dbraw/zinc/03/26/49/900032649.db2.gz JSKMULILLDPMTE-CYBMUJFWSA-N 2 2 296.415 -0.203 20 0 CBADLP CN(C)C(=O)C[NH2+][C@@H](CNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001389681699 900059937 /nfs/dbraw/zinc/05/99/37/900059937.db2.gz BEJXGFHGURUBCA-LBPRGKRZSA-N 2 2 293.371 -0.544 20 0 CBADLP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1)C(=O)N(C)C ZINC001389899858 900089874 /nfs/dbraw/zinc/08/98/74/900089874.db2.gz OCQSGWWVONVCJD-GMTAPVOTSA-N 2 2 293.371 -0.334 20 0 CBADLP C[NH+](C)CCC(=O)NCC1CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001389938027 900095969 /nfs/dbraw/zinc/09/59/69/900095969.db2.gz SFRIFXOSPZINMW-UHFFFAOYSA-N 2 2 293.371 -0.522 20 0 CBADLP C[C@H]([NH2+]C[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1)C(N)=O ZINC001390161735 900120399 /nfs/dbraw/zinc/12/03/99/900120399.db2.gz OSHXCAGFFKXEKB-WDEREUQCSA-N 2 2 293.371 -0.203 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]Cc1ccn(C)n1 ZINC001390329855 900137850 /nfs/dbraw/zinc/13/78/50/900137850.db2.gz SGASMIHTDULOTN-YPMHNXCESA-N 2 2 295.387 -0.655 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]Cc1ccn(C)n1 ZINC001390329855 900137854 /nfs/dbraw/zinc/13/78/54/900137854.db2.gz SGASMIHTDULOTN-YPMHNXCESA-N 2 2 295.387 -0.655 20 0 CBADLP CC[C@@H](C)NC(=O)C[NH2+][C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001390492876 900172321 /nfs/dbraw/zinc/17/23/21/900172321.db2.gz GJBBDNWYVIOLJI-GHMZBOCLSA-N 2 2 295.387 -0.039 20 0 CBADLP CCn1nncc1C[NH2+][C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001390485940 900172494 /nfs/dbraw/zinc/17/24/94/900172494.db2.gz SBGPIUOVPRTVGZ-SNVBAGLBSA-N 2 2 291.359 -0.142 20 0 CBADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@H]1CCCN(C)C1=O ZINC001390495566 900175927 /nfs/dbraw/zinc/17/59/27/900175927.db2.gz OPDKUTMVNRIXDP-QWRGUYRKSA-N 2 2 293.371 -0.333 20 0 CBADLP COC[C@H](O)C[NH2+][C@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001390520699 900179673 /nfs/dbraw/zinc/17/96/73/900179673.db2.gz IDTYBFCYDKCUET-MWLCHTKSSA-N 2 2 284.360 -0.638 20 0 CBADLP Cc1nnc(C[NH2+][C@H](C)CNC(=O)C[NH+]2CCCC2)[nH]1 ZINC001390516874 900179707 /nfs/dbraw/zinc/17/97/07/900179707.db2.gz DXXIXIBXASKPJO-SNVBAGLBSA-N 2 2 280.376 -0.197 20 0 CBADLP C[C@@H]([NH2+][C@@H](C)CNC(=O)Cc1c[nH+]cn1C)C(=O)N(C)C ZINC001390508798 900181726 /nfs/dbraw/zinc/18/17/26/900181726.db2.gz MRDHJWWBODEDCJ-WDEREUQCSA-N 2 2 295.387 -0.466 20 0 CBADLP CCNC(=O)C[NH2+][C@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001390525428 900183507 /nfs/dbraw/zinc/18/35/07/900183507.db2.gz PHXHMKWXWUCLLV-SECBINFHSA-N 2 2 281.360 -0.509 20 0 CBADLP C[N@H+](CCNC(=O)C(C)(C)[NH+]1CCCC1)CC(N)=O ZINC001390797517 900252559 /nfs/dbraw/zinc/25/25/59/900252559.db2.gz OLZQMUYYNHCOGB-UHFFFAOYSA-N 2 2 270.377 -0.606 20 0 CBADLP C[N@@H+](CCNC(=O)C(C)(C)[NH+]1CCCC1)CC(N)=O ZINC001390797517 900252574 /nfs/dbraw/zinc/25/25/74/900252574.db2.gz OLZQMUYYNHCOGB-UHFFFAOYSA-N 2 2 270.377 -0.606 20 0 CBADLP CCNC(=O)C[N@H+](C)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001390817124 900258165 /nfs/dbraw/zinc/25/81/65/900258165.db2.gz KGJVXJASBFSUEQ-LBPRGKRZSA-N 2 2 284.404 -0.488 20 0 CBADLP CCNC(=O)C[N@@H+](C)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001390817124 900258177 /nfs/dbraw/zinc/25/81/77/900258177.db2.gz KGJVXJASBFSUEQ-LBPRGKRZSA-N 2 2 284.404 -0.488 20 0 CBADLP CCNC(=O)C[NH+](C)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001390817124 900258191 /nfs/dbraw/zinc/25/81/91/900258191.db2.gz KGJVXJASBFSUEQ-LBPRGKRZSA-N 2 2 284.404 -0.488 20 0 CBADLP CCNC(=O)C[NH+](C)CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001390817124 900258201 /nfs/dbraw/zinc/25/82/01/900258201.db2.gz KGJVXJASBFSUEQ-LBPRGKRZSA-N 2 2 284.404 -0.488 20 0 CBADLP CCN(C)C(=O)C[N@H+](C)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001390845654 900267787 /nfs/dbraw/zinc/26/77/87/900267787.db2.gz NEWSHDJKJXOMLQ-ZDUSSCGKSA-N 2 2 298.431 -0.146 20 0 CBADLP CCN(C)C(=O)C[N@@H+](C)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001390845654 900267798 /nfs/dbraw/zinc/26/77/98/900267798.db2.gz NEWSHDJKJXOMLQ-ZDUSSCGKSA-N 2 2 298.431 -0.146 20 0 CBADLP CCN(C)C(=O)C[NH+](C)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001390845654 900267807 /nfs/dbraw/zinc/26/78/07/900267807.db2.gz NEWSHDJKJXOMLQ-ZDUSSCGKSA-N 2 2 298.431 -0.146 20 0 CBADLP CCN(C)C(=O)C[NH+](C)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001390845654 900267819 /nfs/dbraw/zinc/26/78/19/900267819.db2.gz NEWSHDJKJXOMLQ-ZDUSSCGKSA-N 2 2 298.431 -0.146 20 0 CBADLP COC[C@@H](O)C[N@@H+]1CCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001391085538 900304543 /nfs/dbraw/zinc/30/45/43/900304543.db2.gz ZGEPXOOCWWJMSZ-OLZOCXBDSA-N 2 2 296.371 -0.529 20 0 CBADLP COC[C@@H](O)C[N@H+]1CCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001391085538 900304553 /nfs/dbraw/zinc/30/45/53/900304553.db2.gz ZGEPXOOCWWJMSZ-OLZOCXBDSA-N 2 2 296.371 -0.529 20 0 CBADLP CCC[N@H+](CCNC(=O)Cn1cc[nH+]c1)CC(=O)N(C)C ZINC001391144862 900322222 /nfs/dbraw/zinc/32/22/22/900322222.db2.gz NGXYKXVDNNHFFE-UHFFFAOYSA-N 2 2 295.387 -0.201 20 0 CBADLP CCC[N@@H+](CCNC(=O)Cn1cc[nH+]c1)CC(=O)N(C)C ZINC001391144862 900322237 /nfs/dbraw/zinc/32/22/37/900322237.db2.gz NGXYKXVDNNHFFE-UHFFFAOYSA-N 2 2 295.387 -0.201 20 0 CBADLP CN(CC[NH2+][C@H]1CCNC1=O)C(=O)CCn1cc[nH+]c1 ZINC001391213373 900340078 /nfs/dbraw/zinc/34/00/78/900340078.db2.gz OLRMSACVIJAPOL-NSHDSACASA-N 2 2 279.344 -0.790 20 0 CBADLP CC(=O)N(C)CC[NH+]1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001456065202 914435053 /nfs/dbraw/zinc/43/50/53/914435053.db2.gz VAZPSGYJSHEAGK-UHFFFAOYSA-N 2 2 284.404 -0.439 20 0 CBADLP COC[C@H](O)C[NH+]1CC(NC(=O)CCC[NH+](C)C)C1 ZINC001391440129 900382254 /nfs/dbraw/zinc/38/22/54/900382254.db2.gz YVEADMSVSNSLAB-GFCCVEGCSA-N 2 2 273.377 -0.864 20 0 CBADLP CCNC(=O)C[NH+]1CC(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001391499324 900393484 /nfs/dbraw/zinc/39/34/84/900393484.db2.gz PYCSWUVRMUQUOI-UHFFFAOYSA-N 2 2 293.371 -0.624 20 0 CBADLP CC[C@@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)[NH2+]CC(N)=O ZINC001391727199 900441081 /nfs/dbraw/zinc/44/10/81/900441081.db2.gz KJKUIZVHTUOAFK-MNOVXSKESA-N 2 2 281.360 -0.196 20 0 CBADLP CC[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@H](CC)C(N)=O ZINC001391731316 900442996 /nfs/dbraw/zinc/44/29/96/900442996.db2.gz YXCZTJKKOIJVHW-MWLCHTKSSA-N 2 2 281.360 -0.300 20 0 CBADLP CC[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+][C@@H]1CCNC1=O ZINC001391757930 900446287 /nfs/dbraw/zinc/44/62/87/900446287.db2.gz OYTZIBAKIRBGPS-GHMZBOCLSA-N 2 2 279.344 -0.744 20 0 CBADLP NC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001391823793 900450190 /nfs/dbraw/zinc/45/01/90/900450190.db2.gz WLDRHBAKICEKQI-XYPYZODXSA-N 2 2 293.371 -0.155 20 0 CBADLP NC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001391823793 900450195 /nfs/dbraw/zinc/45/01/95/900450195.db2.gz WLDRHBAKICEKQI-XYPYZODXSA-N 2 2 293.371 -0.155 20 0 CBADLP C[C@H](CNC(=O)CCc1c[nH+]cn1C)C[NH2+][C@H](C)C(N)=O ZINC001391951309 900470350 /nfs/dbraw/zinc/47/03/50/900470350.db2.gz FCHSBYLUGFLIBE-WDEREUQCSA-N 2 2 295.387 -0.432 20 0 CBADLP C[C@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001391970904 900476609 /nfs/dbraw/zinc/47/66/09/900476609.db2.gz JYBNNAVLMAMKDO-JSGCOSHPSA-N 2 2 299.415 -0.332 20 0 CBADLP C[C@H](O)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001391970904 900476621 /nfs/dbraw/zinc/47/66/21/900476621.db2.gz JYBNNAVLMAMKDO-JSGCOSHPSA-N 2 2 299.415 -0.332 20 0 CBADLP C[C@H](O)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001391970904 900476630 /nfs/dbraw/zinc/47/66/30/900476630.db2.gz JYBNNAVLMAMKDO-JSGCOSHPSA-N 2 2 299.415 -0.332 20 0 CBADLP C[C@H](O)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001391970904 900476642 /nfs/dbraw/zinc/47/66/42/900476642.db2.gz JYBNNAVLMAMKDO-JSGCOSHPSA-N 2 2 299.415 -0.332 20 0 CBADLP C[C@@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001391970907 900478234 /nfs/dbraw/zinc/47/82/34/900478234.db2.gz JYBNNAVLMAMKDO-OCCSQVGLSA-N 2 2 299.415 -0.332 20 0 CBADLP C[C@@H](O)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001391970907 900478242 /nfs/dbraw/zinc/47/82/42/900478242.db2.gz JYBNNAVLMAMKDO-OCCSQVGLSA-N 2 2 299.415 -0.332 20 0 CBADLP C[C@@H](O)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001391970907 900478247 /nfs/dbraw/zinc/47/82/47/900478247.db2.gz JYBNNAVLMAMKDO-OCCSQVGLSA-N 2 2 299.415 -0.332 20 0 CBADLP C[C@@H](O)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001391970907 900478255 /nfs/dbraw/zinc/47/82/55/900478255.db2.gz JYBNNAVLMAMKDO-OCCSQVGLSA-N 2 2 299.415 -0.332 20 0 CBADLP CC[NH+](CC)CC(=O)NC1CN(C(=O)Cn2cc[nH+]c2)C1 ZINC001456273508 914452593 /nfs/dbraw/zinc/45/25/93/914452593.db2.gz PRPPLPWSGPUGAH-UHFFFAOYSA-N 2 2 293.371 -0.448 20 0 CBADLP CC(C)[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@@H]1CCNC1=O ZINC001392248219 900539639 /nfs/dbraw/zinc/53/96/39/900539639.db2.gz PBJOFBPBRXXYDD-VXGBXAGGSA-N 2 2 293.371 -0.429 20 0 CBADLP CN(CC[N@H+](C)CC(N)=O)C(=O)C[NH+](C)C1CCC1 ZINC001392282332 900549553 /nfs/dbraw/zinc/54/95/53/900549553.db2.gz DSGCBAOSLSRSKV-UHFFFAOYSA-N 2 2 270.377 -0.654 20 0 CBADLP CN(CC[N@@H+](C)CC(N)=O)C(=O)C[NH+](C)C1CCC1 ZINC001392282332 900549565 /nfs/dbraw/zinc/54/95/65/900549565.db2.gz DSGCBAOSLSRSKV-UHFFFAOYSA-N 2 2 270.377 -0.654 20 0 CBADLP CN(CC[NH+](C)CC(N)=O)C(=O)C[N@@H+](C)C1CCC1 ZINC001392282332 900549584 /nfs/dbraw/zinc/54/95/84/900549584.db2.gz DSGCBAOSLSRSKV-UHFFFAOYSA-N 2 2 270.377 -0.654 20 0 CBADLP CNC(=O)C[N@@H+](C)CCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001392281248 900550972 /nfs/dbraw/zinc/55/09/72/900550972.db2.gz KBFOKIQTQKYJFZ-UHFFFAOYSA-N 2 2 284.404 -0.393 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+](C)CCN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001392286217 900556395 /nfs/dbraw/zinc/55/63/95/900556395.db2.gz ANVQLEGTCHVMLS-OLZOCXBDSA-N 2 2 298.431 -0.005 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+](C)CCN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001392286217 900556404 /nfs/dbraw/zinc/55/64/04/900556404.db2.gz ANVQLEGTCHVMLS-OLZOCXBDSA-N 2 2 298.431 -0.005 20 0 CBADLP CNC(=O)[C@@H](C)[NH+](C)CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001392286217 900556406 /nfs/dbraw/zinc/55/64/06/900556406.db2.gz ANVQLEGTCHVMLS-OLZOCXBDSA-N 2 2 298.431 -0.005 20 0 CBADLP CNC(=O)[C@@H](C)[NH+](C)CCN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001392286217 900556412 /nfs/dbraw/zinc/55/64/12/900556412.db2.gz ANVQLEGTCHVMLS-OLZOCXBDSA-N 2 2 298.431 -0.005 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H](O)C[NH2+]Cc1ccccn1 ZINC001392407400 900605569 /nfs/dbraw/zinc/60/55/69/900605569.db2.gz FADYHFXJRRACGW-GFCCVEGCSA-N 2 2 289.339 -0.386 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H](O)C[NH2+]C[C@H]1CCCOC1 ZINC001392410681 900608358 /nfs/dbraw/zinc/60/83/58/900608358.db2.gz OPJBMVCRXPPOFK-VXGBXAGGSA-N 2 2 296.371 -0.555 20 0 CBADLP C[C@H](C[NH2+][C@H]1CCNC1=O)NC(=O)CCc1c[nH]c[nH+]1 ZINC001392485045 900635761 /nfs/dbraw/zinc/63/57/61/900635761.db2.gz SSGUISKXQYHBOX-KOLCDFICSA-N 2 2 279.344 -0.675 20 0 CBADLP C[C@H](C[NH2+][C@H]1CCNC1=O)NC(=O)CCc1c[nH+]c[nH]1 ZINC001392485045 900635769 /nfs/dbraw/zinc/63/57/69/900635769.db2.gz SSGUISKXQYHBOX-KOLCDFICSA-N 2 2 279.344 -0.675 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001392498214 900636924 /nfs/dbraw/zinc/63/69/24/900636924.db2.gz RQPXMGAJOJKTED-MNOVXSKESA-N 2 2 295.387 -0.419 20 0 CBADLP C[C@H](C[NH2+][C@@H](C)C(=O)NC1CC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001392512975 900645235 /nfs/dbraw/zinc/64/52/35/900645235.db2.gz MGLPSNLFLKOEGR-ZJUUUORDSA-N 2 2 293.371 -0.286 20 0 CBADLP CC[C@@H](C(=O)NC1CN(C(=O)Cc2[nH]cc[nH+]2)C1)[NH+](C)C ZINC001456340857 914465821 /nfs/dbraw/zinc/46/58/21/914465821.db2.gz CBQQPCSHYWBDNS-NSHDSACASA-N 2 2 293.371 -0.381 20 0 CBADLP C[C@@H](C[N@H+](C)[C@@H](C)C(N)=O)NC(=O)CCc1c[nH+]cn1C ZINC001392715349 900710244 /nfs/dbraw/zinc/71/02/44/900710244.db2.gz HKIKNWVZINNEEQ-QWRGUYRKSA-N 2 2 295.387 -0.337 20 0 CBADLP C[C@@H](C[N@@H+](C)[C@@H](C)C(N)=O)NC(=O)CCc1c[nH+]cn1C ZINC001392715349 900710251 /nfs/dbraw/zinc/71/02/51/900710251.db2.gz HKIKNWVZINNEEQ-QWRGUYRKSA-N 2 2 295.387 -0.337 20 0 CBADLP COC[C@@H](O)C[N@H+](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001392726897 900715277 /nfs/dbraw/zinc/71/52/77/900715277.db2.gz TXGLAQFGQRMNJX-RYUDHWBXSA-N 2 2 284.360 -0.673 20 0 CBADLP COC[C@@H](O)C[N@@H+](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001392726897 900715285 /nfs/dbraw/zinc/71/52/85/900715285.db2.gz TXGLAQFGQRMNJX-RYUDHWBXSA-N 2 2 284.360 -0.673 20 0 CBADLP C[C@H](O)C[N@@H+]1CC[C@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001392846057 900740530 /nfs/dbraw/zinc/74/05/30/900740530.db2.gz IVQHZIOFKFTKOP-RYUDHWBXSA-N 2 2 280.372 -0.076 20 0 CBADLP C[C@H](O)C[N@H+]1CC[C@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001392846057 900740540 /nfs/dbraw/zinc/74/05/40/900740540.db2.gz IVQHZIOFKFTKOP-RYUDHWBXSA-N 2 2 280.372 -0.076 20 0 CBADLP CCN(C)C(=O)C[N@@H+]1CC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001392875609 900749993 /nfs/dbraw/zinc/74/99/93/900749993.db2.gz LLDFGZKTSAXTFC-ZDUSSCGKSA-N 2 2 298.431 -0.005 20 0 CBADLP CCN(C)C(=O)C[N@H+]1CC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001392875609 900750002 /nfs/dbraw/zinc/75/00/02/900750002.db2.gz LLDFGZKTSAXTFC-ZDUSSCGKSA-N 2 2 298.431 -0.005 20 0 CBADLP CCN(C)C(=O)C[NH+]1CC[C@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001392875609 900750011 /nfs/dbraw/zinc/75/00/11/900750011.db2.gz LLDFGZKTSAXTFC-ZDUSSCGKSA-N 2 2 298.431 -0.005 20 0 CBADLP CCN(C)C(=O)C[NH+]1CC[C@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001392875609 900750024 /nfs/dbraw/zinc/75/00/24/900750024.db2.gz LLDFGZKTSAXTFC-ZDUSSCGKSA-N 2 2 298.431 -0.005 20 0 CBADLP Cn1ncnc1C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001392891048 900750984 /nfs/dbraw/zinc/75/09/84/900750984.db2.gz YNZGBTYZAAUVCF-NSHDSACASA-N 2 2 292.387 -0.352 20 0 CBADLP Cn1ncnc1C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001392891048 900750994 /nfs/dbraw/zinc/75/09/94/900750994.db2.gz YNZGBTYZAAUVCF-NSHDSACASA-N 2 2 292.387 -0.352 20 0 CBADLP CNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC001393044990 900784313 /nfs/dbraw/zinc/78/43/13/900784313.db2.gz HPNGTOIVJXDLAQ-GFCCVEGCSA-N 2 2 293.371 -0.400 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)NCC1(O)C[NH+](CCCF)C1 ZINC001393302401 900831134 /nfs/dbraw/zinc/83/11/34/900831134.db2.gz JFSGTTMUELWTQL-LLVKDONJSA-N 2 2 273.352 -0.397 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)NCC1(O)C[NH+](CCCF)C1 ZINC001393302401 900831141 /nfs/dbraw/zinc/83/11/41/900831141.db2.gz JFSGTTMUELWTQL-LLVKDONJSA-N 2 2 273.352 -0.397 20 0 CBADLP C[N@@H+]1CCCC[C@H]1C(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001393330688 900841443 /nfs/dbraw/zinc/84/14/43/900841443.db2.gz BDSOIDCYBOIKBI-LBPRGKRZSA-N 2 2 285.388 -0.984 20 0 CBADLP C[N@H+]1CCCC[C@H]1C(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001393330688 900841446 /nfs/dbraw/zinc/84/14/46/900841446.db2.gz BDSOIDCYBOIKBI-LBPRGKRZSA-N 2 2 285.388 -0.984 20 0 CBADLP COC[C@@H](C)[NH+]1CC(O)(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001393355573 900846100 /nfs/dbraw/zinc/84/61/00/900846100.db2.gz AVBWNOTZTQCZEY-GFCCVEGCSA-N 2 2 287.404 -0.476 20 0 CBADLP COC[C@@H](C)[NH+]1CC(O)(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001393355573 900846107 /nfs/dbraw/zinc/84/61/07/900846107.db2.gz AVBWNOTZTQCZEY-GFCCVEGCSA-N 2 2 287.404 -0.476 20 0 CBADLP C[C@@H]([NH2+]CC(N)=O)[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001393383446 900850281 /nfs/dbraw/zinc/85/02/81/900850281.db2.gz IUOGVSIYAMSSGO-GHMZBOCLSA-N 2 2 293.371 -0.726 20 0 CBADLP C[C@H]([NH2+]CC(N)=O)[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001393394802 900851909 /nfs/dbraw/zinc/85/19/09/900851909.db2.gz YEDZGKWOKYFTRS-NWDGAFQWSA-N 2 2 293.371 -0.415 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@@]1(CO)CCC[N@@H+](CCCO)C1 ZINC001393468312 900862459 /nfs/dbraw/zinc/86/24/59/900862459.db2.gz UOTMNERGMVOTDV-AWEZNQCLSA-N 2 2 296.371 -0.791 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@@]1(CO)CCC[N@H+](CCCO)C1 ZINC001393468312 900862466 /nfs/dbraw/zinc/86/24/66/900862466.db2.gz UOTMNERGMVOTDV-AWEZNQCLSA-N 2 2 296.371 -0.791 20 0 CBADLP CN(CCC[N@H+](C)CC(N)=O)C(=O)CCn1cc[nH+]c1 ZINC001393628029 900888816 /nfs/dbraw/zinc/88/88/16/900888816.db2.gz HZONVJCYHCDXCB-UHFFFAOYSA-N 2 2 281.360 -0.461 20 0 CBADLP CN(CCC[N@@H+](C)CC(N)=O)C(=O)CCn1cc[nH+]c1 ZINC001393628029 900888826 /nfs/dbraw/zinc/88/88/26/900888826.db2.gz HZONVJCYHCDXCB-UHFFFAOYSA-N 2 2 281.360 -0.461 20 0 CBADLP C[C@@H](O)C[NH+]1CC2(C1)C[C@H](NC(=O)CCC[NH+](C)C)CO2 ZINC001393678263 900893353 /nfs/dbraw/zinc/89/33/53/900893353.db2.gz WOXGLIUSWHNIGV-OLZOCXBDSA-N 2 2 299.415 -0.332 20 0 CBADLP CCC[N@H+](C)CCC(=O)N[C@@H]1COC2(C[NH+](CCO)C2)C1 ZINC001393675867 900893702 /nfs/dbraw/zinc/89/37/02/900893702.db2.gz REYXBEAREHJECO-ZDUSSCGKSA-N 2 2 299.415 -0.330 20 0 CBADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1COC2(C[NH+](CCO)C2)C1 ZINC001393675867 900893714 /nfs/dbraw/zinc/89/37/14/900893714.db2.gz REYXBEAREHJECO-ZDUSSCGKSA-N 2 2 299.415 -0.330 20 0 CBADLP C[C@@H](O)C[NH+]1CC2(C1)C[C@@H](NC(=O)CCC[NH+](C)C)CO2 ZINC001393678258 900894488 /nfs/dbraw/zinc/89/44/88/900894488.db2.gz WOXGLIUSWHNIGV-CHWSQXEVSA-N 2 2 299.415 -0.332 20 0 CBADLP C[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001393746371 900900298 /nfs/dbraw/zinc/90/02/98/900900298.db2.gz UAHBTUJIZBBBAT-NWDGAFQWSA-N 2 2 293.371 -0.592 20 0 CBADLP NC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001393860269 900915819 /nfs/dbraw/zinc/91/58/19/900915819.db2.gz RPESYPKIKAXELD-NSHDSACASA-N 2 2 279.344 -0.592 20 0 CBADLP CCCNC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001393976492 900943714 /nfs/dbraw/zinc/94/37/14/900943714.db2.gz BISQRCSZBCJCPE-QWRGUYRKSA-N 2 2 295.387 -0.039 20 0 CBADLP C[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)[N@H+](C)CC(N)=O ZINC001394124733 900979334 /nfs/dbraw/zinc/97/93/34/900979334.db2.gz HABXHWXSLILJBQ-LBPRGKRZSA-N 2 2 284.404 -0.360 20 0 CBADLP C[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)[N@@H+](C)CC(N)=O ZINC001394124733 900979344 /nfs/dbraw/zinc/97/93/44/900979344.db2.gz HABXHWXSLILJBQ-LBPRGKRZSA-N 2 2 284.404 -0.360 20 0 CBADLP CNC(=O)[C@H](C)[N@H+](C)[C@@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001394135796 900985809 /nfs/dbraw/zinc/98/58/09/900985809.db2.gz XBLDMSUCUYWOGK-QWRGUYRKSA-N 2 2 295.387 -0.237 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001394135796 900985819 /nfs/dbraw/zinc/98/58/19/900985819.db2.gz XBLDMSUCUYWOGK-QWRGUYRKSA-N 2 2 295.387 -0.237 20 0 CBADLP CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001394254697 901002787 /nfs/dbraw/zinc/00/27/87/901002787.db2.gz RJCMRBHSKPOFSW-BXUZGUMPSA-N 2 2 298.431 -0.245 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001394335464 901013535 /nfs/dbraw/zinc/01/35/35/901013535.db2.gz OYOBEOTTZJNABV-ZRJCITRHSA-N 2 2 292.383 -0.125 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001394335464 901013545 /nfs/dbraw/zinc/01/35/45/901013545.db2.gz OYOBEOTTZJNABV-ZRJCITRHSA-N 2 2 292.383 -0.125 20 0 CBADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001394335464 901013551 /nfs/dbraw/zinc/01/35/51/901013551.db2.gz OYOBEOTTZJNABV-ZRJCITRHSA-N 2 2 292.383 -0.125 20 0 CBADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001394335464 901013560 /nfs/dbraw/zinc/01/35/60/901013560.db2.gz OYOBEOTTZJNABV-ZRJCITRHSA-N 2 2 292.383 -0.125 20 0 CBADLP C[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1)C(N)=O ZINC001394385251 901025050 /nfs/dbraw/zinc/02/50/50/901025050.db2.gz WXSMSEOYOJKVEK-GUBZILKMSA-N 2 2 279.344 -0.690 20 0 CBADLP CN(C(=O)Cn1cc[nH+]c1)[C@@H](C[NH2+]CC(N)=O)C1CC1 ZINC001394444550 901027864 /nfs/dbraw/zinc/02/78/64/901027864.db2.gz ZSPNEBPQUFQYQD-NSHDSACASA-N 2 2 279.344 -0.805 20 0 CBADLP CC[C@@H]([NH2+][C@H](C)CN(C)C(=O)Cc1[nH]cc[nH+]1)C(N)=O ZINC001394545943 901046549 /nfs/dbraw/zinc/04/65/49/901046549.db2.gz PKZJRTOGULFEBJ-NXEZZACHSA-N 2 2 281.360 -0.347 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@H](C)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001394535142 901046846 /nfs/dbraw/zinc/04/68/46/901046846.db2.gz FRFPEGYPSAGDNZ-GHMZBOCLSA-N 2 2 295.387 -0.466 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001394535145 901047910 /nfs/dbraw/zinc/04/79/10/901047910.db2.gz FRFPEGYPSAGDNZ-WDEREUQCSA-N 2 2 295.387 -0.466 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001394566944 901057886 /nfs/dbraw/zinc/05/78/86/901057886.db2.gz NTONSWZNIDOVEA-WDEREUQCSA-N 2 2 281.360 -0.546 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@@H](C)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001394566942 901058479 /nfs/dbraw/zinc/05/84/79/901058479.db2.gz NTONSWZNIDOVEA-QWRGUYRKSA-N 2 2 281.360 -0.546 20 0 CBADLP CNC(=O)C[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2)CC1(C)C ZINC001394724983 901125764 /nfs/dbraw/zinc/12/57/64/901125764.db2.gz LLGSQDUKBAOSLO-NSHDSACASA-N 2 2 293.371 -0.544 20 0 CBADLP CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001394747818 901140737 /nfs/dbraw/zinc/14/07/37/901140737.db2.gz ZCKCBEOVSUIJPE-NWDGAFQWSA-N 2 2 280.372 -0.126 20 0 CBADLP CN(C)C(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001397614900 901438859 /nfs/dbraw/zinc/43/88/59/901438859.db2.gz CHXVYQCFEBOKTC-TXEJJXNPSA-N 2 2 293.371 -0.544 20 0 CBADLP C[C@@H]([NH2+]CC(N)=O)[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001398194658 901504880 /nfs/dbraw/zinc/50/48/80/901504880.db2.gz BKJJALWGBAZDCG-VXGBXAGGSA-N 2 2 293.371 -0.272 20 0 CBADLP CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001398357208 901529568 /nfs/dbraw/zinc/52/95/68/901529568.db2.gz NLIRHCQJICHTPY-NWDGAFQWSA-N 2 2 282.388 -0.735 20 0 CBADLP CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001398357208 901529579 /nfs/dbraw/zinc/52/95/79/901529579.db2.gz NLIRHCQJICHTPY-NWDGAFQWSA-N 2 2 282.388 -0.735 20 0 CBADLP CCNC(=O)C[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001398357208 901529594 /nfs/dbraw/zinc/52/95/94/901529594.db2.gz NLIRHCQJICHTPY-NWDGAFQWSA-N 2 2 282.388 -0.735 20 0 CBADLP CCNC(=O)C[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001398357208 901529611 /nfs/dbraw/zinc/52/96/11/901529611.db2.gz NLIRHCQJICHTPY-NWDGAFQWSA-N 2 2 282.388 -0.735 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)NC[C@@H]([NH2+]CC(N)=O)C1CC1 ZINC001398427487 901537481 /nfs/dbraw/zinc/53/74/81/901537481.db2.gz SFLXVYXQWRZVRU-LLVKDONJSA-N 2 2 293.371 -0.678 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001398526972 901549729 /nfs/dbraw/zinc/54/97/29/901549729.db2.gz UKHUDIXHKAJFKD-NSHDSACASA-N 2 2 293.371 -0.461 20 0 CBADLP CCN(C)C(=O)C[NH2+][C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001398553192 901558603 /nfs/dbraw/zinc/55/86/03/901558603.db2.gz LCAJGYIBAOQPFJ-XYPYZODXSA-N 2 2 293.371 -0.333 20 0 CBADLP C[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1)C(N)=O ZINC001398743037 901599753 /nfs/dbraw/zinc/59/97/53/901599753.db2.gz OCGJRTGUNLHJMV-MNOVXSKESA-N 2 2 293.371 -0.346 20 0 CBADLP CNC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001399112335 901670153 /nfs/dbraw/zinc/67/01/53/901670153.db2.gz JHLQYQBQQVGRAB-VHSXEESVSA-N 2 2 281.360 -0.571 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)[NH2+][C@@H]1CCN(C)C1=O ZINC001399130864 901673335 /nfs/dbraw/zinc/67/33/35/901673335.db2.gz UQLOHUFQVJPTGU-MWLCHTKSSA-N 2 2 293.371 -0.414 20 0 CBADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CCS(C)(=O)=O ZINC001399151913 901673984 /nfs/dbraw/zinc/67/39/84/901673984.db2.gz CQWXENHHYCPTNY-JTQLQIEISA-N 2 2 288.373 -0.978 20 0 CBADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CC(=O)N1CCC1 ZINC001399162323 901676596 /nfs/dbraw/zinc/67/65/96/901676596.db2.gz NDCOCZNHFNDGFY-NSHDSACASA-N 2 2 279.344 -0.790 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](C)[NH2+]Cc2ccon2)C1 ZINC001399166756 901677656 /nfs/dbraw/zinc/67/76/56/901677656.db2.gz WGFRTRNVGLDUAK-WCQYABFASA-N 2 2 296.371 -0.010 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](C)[NH2+]Cc2ccon2)C1 ZINC001399166756 901677664 /nfs/dbraw/zinc/67/76/64/901677664.db2.gz WGFRTRNVGLDUAK-WCQYABFASA-N 2 2 296.371 -0.010 20 0 CBADLP CC[C@@H](C)NC(=O)C[NH2+][C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001399156917 901677799 /nfs/dbraw/zinc/67/77/99/901677799.db2.gz IWYMDIUJQKEOJA-VXGBXAGGSA-N 2 2 295.387 -0.108 20 0 CBADLP C[C@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH2+]CC(N)=O ZINC001399388845 901708619 /nfs/dbraw/zinc/70/86/19/901708619.db2.gz IFQKKNHYFHAODL-GMTAPVOTSA-N 2 2 293.371 -0.507 20 0 CBADLP C[C@H](CCNC(=O)Cc1c[nH+]cn1C)[NH2+][C@@H]1CCNC1=O ZINC001399412211 901711620 /nfs/dbraw/zinc/71/16/20/901711620.db2.gz GOHBIQGVGPBEDG-ZYHUDNBSSA-N 2 2 293.371 -0.665 20 0 CBADLP C[C@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+][C@@H]1CCN(C)C1=O ZINC001399425665 901712294 /nfs/dbraw/zinc/71/22/94/901712294.db2.gz HQERZFAFVNLNNG-VXGBXAGGSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+][C@H]1CCN(C)C1=O ZINC001399425659 901712391 /nfs/dbraw/zinc/71/23/91/901712391.db2.gz HQERZFAFVNLNNG-NEPJUHHUSA-N 2 2 293.371 -0.402 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCC[C@H](C)[NH2+][C@H]1CCNC1=O ZINC001399418138 901713239 /nfs/dbraw/zinc/71/32/39/901713239.db2.gz MPPKRBOPSULDHN-ONGXEEELSA-N 2 2 293.371 -0.366 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NCC[N@H+](C)CCn1cccn1 ZINC001399640701 901760990 /nfs/dbraw/zinc/76/09/90/901760990.db2.gz MBVRTTOUIMJZFV-UHFFFAOYSA-N 2 2 290.371 -0.093 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NCC[N@@H+](C)CCn1cccn1 ZINC001399640701 901760998 /nfs/dbraw/zinc/76/09/98/901760998.db2.gz MBVRTTOUIMJZFV-UHFFFAOYSA-N 2 2 290.371 -0.093 20 0 CBADLP CC[N@H+](CCNC(=O)CCn1cc[nH+]c1)[C@H](C)C(=O)NC ZINC001399733518 901783215 /nfs/dbraw/zinc/78/32/15/901783215.db2.gz FXQAQQSAHWLRMC-GFCCVEGCSA-N 2 2 295.387 -0.154 20 0 CBADLP CC[N@@H+](CCNC(=O)CCn1cc[nH+]c1)[C@H](C)C(=O)NC ZINC001399733518 901783222 /nfs/dbraw/zinc/78/32/22/901783222.db2.gz FXQAQQSAHWLRMC-GFCCVEGCSA-N 2 2 295.387 -0.154 20 0 CBADLP Cc1cn(C(C)(C)C(=O)N(C)CC[NH2+][C@H](C)C(N)=O)c[nH+]1 ZINC001400048367 901864250 /nfs/dbraw/zinc/86/42/50/901864250.db2.gz HNKUZSCDUVFSSI-LLVKDONJSA-N 2 2 295.387 -0.152 20 0 CBADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)NC(=O)CCC[NH+](C)C ZINC001400281202 901908843 /nfs/dbraw/zinc/90/88/43/901908843.db2.gz GRGGLDYZTSSRJS-LBPRGKRZSA-N 2 2 295.387 -0.154 20 0 CBADLP CNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001400511477 901959819 /nfs/dbraw/zinc/95/98/19/901959819.db2.gz VSOAGVWUXGOGSR-LLVKDONJSA-N 2 2 296.415 -0.347 20 0 CBADLP CNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001400511477 901959822 /nfs/dbraw/zinc/95/98/22/901959822.db2.gz VSOAGVWUXGOGSR-LLVKDONJSA-N 2 2 296.415 -0.347 20 0 CBADLP CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001400677695 901994004 /nfs/dbraw/zinc/99/40/04/901994004.db2.gz SOZDYNYRWSZZGY-CHWSQXEVSA-N 2 2 296.415 -0.345 20 0 CBADLP CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001400677695 901994017 /nfs/dbraw/zinc/99/40/17/901994017.db2.gz SOZDYNYRWSZZGY-CHWSQXEVSA-N 2 2 296.415 -0.345 20 0 CBADLP CCNC(=O)C[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001400677695 901994030 /nfs/dbraw/zinc/99/40/30/901994030.db2.gz SOZDYNYRWSZZGY-CHWSQXEVSA-N 2 2 296.415 -0.345 20 0 CBADLP CCNC(=O)C[NH+]1CC[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001400677695 901994041 /nfs/dbraw/zinc/99/40/41/901994041.db2.gz SOZDYNYRWSZZGY-CHWSQXEVSA-N 2 2 296.415 -0.345 20 0 CBADLP CCN(C(=O)Cn1c[nH+]cc1C)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001400747730 902008900 /nfs/dbraw/zinc/00/89/00/902008900.db2.gz OYZZAXAVSPVYHD-LBPRGKRZSA-N 2 2 293.371 -0.400 20 0 CBADLP CCN(C(=O)Cn1c[nH+]cc1C)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001400747730 902008909 /nfs/dbraw/zinc/00/89/09/902008909.db2.gz OYZZAXAVSPVYHD-LBPRGKRZSA-N 2 2 293.371 -0.400 20 0 CBADLP CC[C@@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)[NH2+]CC(N)=O ZINC001400819145 902025424 /nfs/dbraw/zinc/02/54/24/902025424.db2.gz KVOLNQCYOHKUBO-QWRGUYRKSA-N 2 2 293.371 -0.585 20 0 CBADLP CC[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CC(=O)N(C)CC ZINC001400834615 902025927 /nfs/dbraw/zinc/02/59/27/902025927.db2.gz HLKQQHFKZJPEPE-LLVKDONJSA-N 2 2 295.387 -0.085 20 0 CBADLP CC[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+][C@@H](C)C(=O)N(C)C ZINC001400913297 902035079 /nfs/dbraw/zinc/03/50/79/902035079.db2.gz GKODSYIFZDAENT-RYUDHWBXSA-N 2 2 295.387 -0.156 20 0 CBADLP CC[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CC(=O)NC1CC1 ZINC001400911041 902036377 /nfs/dbraw/zinc/03/63/77/902036377.db2.gz DGCFFUTZXXNJMJ-LLVKDONJSA-N 2 2 293.371 -0.354 20 0 CBADLP CC[C@@H]([NH2+]C[C@H](C)N(C)C(=O)CCn1cc[nH+]c1)C(N)=O ZINC001401234679 902087498 /nfs/dbraw/zinc/08/74/98/902087498.db2.gz QRRGFVDDBJXULY-NWDGAFQWSA-N 2 2 295.387 -0.026 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC[C@@H]([NH2+][C@H](C)C(N)=O)C(C)C ZINC001401348274 902106463 /nfs/dbraw/zinc/10/64/63/902106463.db2.gz CGHYHPAAIKZMBS-ZYHUDNBSSA-N 2 2 295.387 -0.204 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC[C@@H]([NH2+][C@@H](C)C(N)=O)C(C)C ZINC001401348271 902106947 /nfs/dbraw/zinc/10/69/47/902106947.db2.gz CGHYHPAAIKZMBS-CMPLNLGQSA-N 2 2 295.387 -0.204 20 0 CBADLP CC(C)[C@H](CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)[NH2+]CC(N)=O ZINC001401346323 902107225 /nfs/dbraw/zinc/10/72/25/902107225.db2.gz QENSAFPKTUWMSP-PWSUYJOCSA-N 2 2 295.387 -0.196 20 0 CBADLP CC(C)[C@H](CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1)[NH2+]CC(N)=O ZINC001401346323 902107228 /nfs/dbraw/zinc/10/72/28/902107228.db2.gz QENSAFPKTUWMSP-PWSUYJOCSA-N 2 2 295.387 -0.196 20 0 CBADLP C[C@@H](CC[NH2+][C@@H]1CCCNC1=O)NC(=O)Cc1c[nH]c[nH+]1 ZINC001401592764 902179417 /nfs/dbraw/zinc/17/94/17/902179417.db2.gz QDFXJPPUGUTWKL-CMPLNLGQSA-N 2 2 293.371 -0.285 20 0 CBADLP CCN(CC[NH2+][C@@H](C)C(=O)N(C)C)C(=O)Cc1c[nH+]c[nH]1 ZINC001401607936 902186150 /nfs/dbraw/zinc/18/61/50/902186150.db2.gz ZSUQPZQPCFLWCH-NSHDSACASA-N 2 2 295.387 -0.133 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]CC[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001401609877 902187751 /nfs/dbraw/zinc/18/77/51/902187751.db2.gz ORRROOIEGVHRPU-NXEZZACHSA-N 2 2 281.360 -0.429 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001401659298 902213559 /nfs/dbraw/zinc/21/35/59/902213559.db2.gz QAWXFSCMECPJFH-GHMZBOCLSA-N 2 2 295.387 -0.419 20 0 CBADLP CC(C)CNC(=O)C[NH2+]C[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001401671167 902216351 /nfs/dbraw/zinc/21/63/51/902216351.db2.gz RYSBAJJMQYDFJY-GFCCVEGCSA-N 2 2 295.387 -0.250 20 0 CBADLP C[C@H](C[NH2+][C@@H]1CCNC1=O)NC(=O)CCCn1cc[nH+]c1 ZINC001401668518 902217039 /nfs/dbraw/zinc/21/70/39/902217039.db2.gz MYNIXKSKRWIZHS-VXGBXAGGSA-N 2 2 293.371 -0.354 20 0 CBADLP CCCNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001401727370 902251535 /nfs/dbraw/zinc/25/15/35/902251535.db2.gz KKJCCEVKVFQRQH-RYUDHWBXSA-N 2 2 295.387 -0.108 20 0 CBADLP C[C@H](C[N@H+](C)CCO)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001401770443 902268017 /nfs/dbraw/zinc/26/80/17/902268017.db2.gz VLSZCXDHABDXNV-VXGBXAGGSA-N 2 2 280.372 -0.126 20 0 CBADLP C[C@H](C[N@@H+](C)CCO)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001401770443 902268028 /nfs/dbraw/zinc/26/80/28/902268028.db2.gz VLSZCXDHABDXNV-VXGBXAGGSA-N 2 2 280.372 -0.126 20 0 CBADLP C[C@H]([NH2+]CC(N)=O)[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001402041755 902343028 /nfs/dbraw/zinc/34/30/28/902343028.db2.gz MODXVVISNGMNPL-CMPLNLGQSA-N 2 2 293.371 -0.203 20 0 CBADLP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CC(=O)NC2CC2)C1)[NH+](C)C ZINC001402176984 902378215 /nfs/dbraw/zinc/37/82/15/902378215.db2.gz ATVXBOALYTXVLQ-STQMWFEESA-N 2 2 296.415 -0.204 20 0 CBADLP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](CC(=O)NC2CC2)C1)[NH+](C)C ZINC001402176984 902378223 /nfs/dbraw/zinc/37/82/23/902378223.db2.gz ATVXBOALYTXVLQ-STQMWFEESA-N 2 2 296.415 -0.204 20 0 CBADLP COC[C@H](C)[NH+]1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001402385640 902440257 /nfs/dbraw/zinc/44/02/57/902440257.db2.gz LQDNQBFMGLIKJF-RYUDHWBXSA-N 2 2 285.388 -0.864 20 0 CBADLP COC[C@H](C)[NH+]1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001402385640 902440263 /nfs/dbraw/zinc/44/02/63/902440263.db2.gz LQDNQBFMGLIKJF-RYUDHWBXSA-N 2 2 285.388 -0.864 20 0 CBADLP CC(C)[NH+]1CC(O)(CNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001402376854 902440691 /nfs/dbraw/zinc/44/06/91/902440691.db2.gz BORYEVJGBNYOMC-CYBMUJFWSA-N 2 2 299.415 -0.474 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001402436613 902449060 /nfs/dbraw/zinc/44/90/60/902449060.db2.gz NRXRJGNHYRFVEV-PWSUYJOCSA-N 2 2 293.371 -0.333 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001402436613 902449069 /nfs/dbraw/zinc/44/90/69/902449069.db2.gz NRXRJGNHYRFVEV-PWSUYJOCSA-N 2 2 293.371 -0.333 20 0 CBADLP CNC(=O)C[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001402446357 902452159 /nfs/dbraw/zinc/45/21/59/902452159.db2.gz VZOOIJJMEWXLPN-NSHDSACASA-N 2 2 279.344 -0.790 20 0 CBADLP CCCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001402509904 902468240 /nfs/dbraw/zinc/46/82/40/902468240.db2.gz DIZRZDGIQLDHRR-XYPYZODXSA-N 2 2 293.371 -0.285 20 0 CBADLP CC[N@H+](C)CCC(=O)N[C@H]1COC2(C[NH+](CCO)C2)C1 ZINC001402729829 902511531 /nfs/dbraw/zinc/51/15/31/902511531.db2.gz RWDAYDWIBNYXHI-GFCCVEGCSA-N 2 2 285.388 -0.720 20 0 CBADLP CC[N@@H+](C)CCC(=O)N[C@H]1COC2(C[NH+](CCO)C2)C1 ZINC001402729829 902511538 /nfs/dbraw/zinc/51/15/38/902511538.db2.gz RWDAYDWIBNYXHI-GFCCVEGCSA-N 2 2 285.388 -0.720 20 0 CBADLP CCC[N@H+](C)CC(=O)NC[C@H]1CCCC[NH+]1CC(N)=O ZINC001402736630 902511872 /nfs/dbraw/zinc/51/18/72/902511872.db2.gz NWYODANXTYPLIU-GFCCVEGCSA-N 2 2 284.404 -0.216 20 0 CBADLP CCC[N@@H+](C)CC(=O)NC[C@H]1CCCC[NH+]1CC(N)=O ZINC001402736630 902511883 /nfs/dbraw/zinc/51/18/83/902511883.db2.gz NWYODANXTYPLIU-GFCCVEGCSA-N 2 2 284.404 -0.216 20 0 CBADLP CCC[NH+](C)CC(=O)NC[C@H]1CCCC[N@@H+]1CC(N)=O ZINC001402736630 902511896 /nfs/dbraw/zinc/51/18/96/902511896.db2.gz NWYODANXTYPLIU-GFCCVEGCSA-N 2 2 284.404 -0.216 20 0 CBADLP CCC[NH+](C)CC(=O)NC[C@H]1CCCC[N@H+]1CC(N)=O ZINC001402736630 902511898 /nfs/dbraw/zinc/51/18/98/902511898.db2.gz NWYODANXTYPLIU-GFCCVEGCSA-N 2 2 284.404 -0.216 20 0 CBADLP C[C@@H]([NH2+][C@@H](C)CCNC(=O)Cn1cc[nH+]c1)C(=O)N(C)C ZINC001402860101 902542350 /nfs/dbraw/zinc/54/23/50/902542350.db2.gz PZPGVAYLTIWTSQ-NWDGAFQWSA-N 2 2 295.387 -0.156 20 0 CBADLP C[C@@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+]CCn1cncn1 ZINC001402860196 902542993 /nfs/dbraw/zinc/54/29/93/902542993.db2.gz RYYFPXLIRSSAHH-LBPRGKRZSA-N 2 2 291.359 -0.341 20 0 CBADLP C[C@H](CNC(=O)Cc1cn2c([nH+]1)CCCC2)[NH2+]CC(N)=O ZINC001402886035 902553314 /nfs/dbraw/zinc/55/33/14/902553314.db2.gz HLQGYQKGAVGDAO-SNVBAGLBSA-N 2 2 293.371 -0.659 20 0 CBADLP C[N@H+](CCO)C[C@H]1CCCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001402898464 902557200 /nfs/dbraw/zinc/55/72/00/902557200.db2.gz BKWRFKPJJGHPJK-OLZOCXBDSA-N 2 2 285.388 -0.768 20 0 CBADLP C[N@@H+](CCO)C[C@H]1CCCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001402898464 902557213 /nfs/dbraw/zinc/55/72/13/902557213.db2.gz BKWRFKPJJGHPJK-OLZOCXBDSA-N 2 2 285.388 -0.768 20 0 CBADLP C[NH+](CCO)C[C@H]1CCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001402898464 902557224 /nfs/dbraw/zinc/55/72/24/902557224.db2.gz BKWRFKPJJGHPJK-OLZOCXBDSA-N 2 2 285.388 -0.768 20 0 CBADLP C[NH+](CCO)C[C@H]1CCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001402898464 902557231 /nfs/dbraw/zinc/55/72/31/902557231.db2.gz BKWRFKPJJGHPJK-OLZOCXBDSA-N 2 2 285.388 -0.768 20 0 CBADLP C[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+][C@@H]1CCN(C)C1=O ZINC001402911687 902560648 /nfs/dbraw/zinc/56/06/48/902560648.db2.gz QBQIQNLHCFQVDM-CMPLNLGQSA-N 2 2 293.371 -0.333 20 0 CBADLP C[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH2+][C@@H]1CCN(C)C1=O ZINC001402911687 902560658 /nfs/dbraw/zinc/56/06/58/902560658.db2.gz QBQIQNLHCFQVDM-CMPLNLGQSA-N 2 2 293.371 -0.333 20 0 CBADLP C[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+][C@H]1CCN(C)C1=O ZINC001402911696 902561135 /nfs/dbraw/zinc/56/11/35/902561135.db2.gz QBQIQNLHCFQVDM-JQWIXIFHSA-N 2 2 293.371 -0.333 20 0 CBADLP C[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH2+][C@H]1CCN(C)C1=O ZINC001402911696 902561141 /nfs/dbraw/zinc/56/11/41/902561141.db2.gz QBQIQNLHCFQVDM-JQWIXIFHSA-N 2 2 293.371 -0.333 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)[NH2+]CC(N)=O ZINC001402938519 902568481 /nfs/dbraw/zinc/56/84/81/902568481.db2.gz MAUOTPFTERELCA-UWVGGRQHSA-N 2 2 279.344 -0.975 20 0 CBADLP CN(C)C(=O)C[NH2+]CC1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001402935294 902570071 /nfs/dbraw/zinc/57/00/71/902570071.db2.gz BSZFXUGMAPERAF-UHFFFAOYSA-N 2 2 293.371 -0.475 20 0 CBADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CCS(C)(=O)=O ZINC001403048078 902603109 /nfs/dbraw/zinc/60/31/09/902603109.db2.gz BLTNTOVFOGLAJQ-SECBINFHSA-N 2 2 288.373 -0.909 20 0 CBADLP COC[C@@H](O)C[NH2+][C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001403078883 902608405 /nfs/dbraw/zinc/60/84/05/902608405.db2.gz YGLOBGTWLCVSPZ-UWVGGRQHSA-N 2 2 270.333 -0.946 20 0 CBADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CCN1CCCC1=O ZINC001403129794 902624781 /nfs/dbraw/zinc/62/47/81/902624781.db2.gz FKOJVZPAZVHBFG-LBPRGKRZSA-N 2 2 293.371 -0.400 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC[C@H](C)[NH2+]Cc1nncn1C ZINC001403136342 902628977 /nfs/dbraw/zinc/62/89/77/902628977.db2.gz KAYJAZHLEVVKEK-JTQLQIEISA-N 2 2 291.359 -0.385 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH+](C)CC(N)=O ZINC001403150916 902631928 /nfs/dbraw/zinc/63/19/28/902631928.db2.gz ZKOHJHXINCXCAL-WDEREUQCSA-N 2 2 270.377 -0.608 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)[NH+](C)CC(N)=O ZINC001403150916 902631930 /nfs/dbraw/zinc/63/19/30/902631930.db2.gz ZKOHJHXINCXCAL-WDEREUQCSA-N 2 2 270.377 -0.608 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1CCCC[NH+]1C)[N@H+](C)CC(N)=O ZINC001403150916 902631934 /nfs/dbraw/zinc/63/19/34/902631934.db2.gz ZKOHJHXINCXCAL-WDEREUQCSA-N 2 2 270.377 -0.608 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1CCCC[NH+]1C)[N@@H+](C)CC(N)=O ZINC001403150916 902631937 /nfs/dbraw/zinc/63/19/37/902631937.db2.gz ZKOHJHXINCXCAL-WDEREUQCSA-N 2 2 270.377 -0.608 20 0 CBADLP CN(C)C(=O)C[NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001403253960 902659094 /nfs/dbraw/zinc/65/90/94/902659094.db2.gz GPBGTAHWPWIHLC-GFCCVEGCSA-N 2 2 293.371 -0.591 20 0 CBADLP CNC(=O)C[NH2+][C@@H](C)CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001403382898 902681583 /nfs/dbraw/zinc/68/15/83/902681583.db2.gz XTFGOHMUKPKEAW-JTQLQIEISA-N 2 2 281.360 -0.427 20 0 CBADLP CNC(=O)C[NH2+][C@@H](C)CCNC(=O)CCc1c[nH+]c[nH]1 ZINC001403382898 902681590 /nfs/dbraw/zinc/68/15/90/902681590.db2.gz XTFGOHMUKPKEAW-JTQLQIEISA-N 2 2 281.360 -0.427 20 0 CBADLP C[C@@H]([NH2+]CCO)[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001403413975 902685309 /nfs/dbraw/zinc/68/53/09/902685309.db2.gz JQHJIIQKUGRCFL-PWSUYJOCSA-N 2 2 282.344 -0.850 20 0 CBADLP CNC(=O)C[N@@H+](C)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001403472279 902695182 /nfs/dbraw/zinc/69/51/82/902695182.db2.gz YMKLQYWGRWRRSP-UHFFFAOYSA-N 2 2 293.371 -0.379 20 0 CBADLP CN(C(=O)Cc1[nH]cc[nH+]1)[C@@H](C[NH2+]CC(N)=O)C1CC1 ZINC001403517704 902709952 /nfs/dbraw/zinc/70/99/52/902709952.db2.gz FLNGOOQWEFBTTB-JTQLQIEISA-N 2 2 279.344 -0.736 20 0 CBADLP C[C@H](CN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1)[NH2+]CCO ZINC001403585327 902744854 /nfs/dbraw/zinc/74/48/54/902744854.db2.gz YWCCFGDESITIBS-VXGBXAGGSA-N 2 2 280.372 -0.126 20 0 CBADLP C[C@H](CN(C)C(=O)Cc1[nH]cc[nH+]1)[NH2+][C@@H]1CCN(C)C1=O ZINC001403616818 902752623 /nfs/dbraw/zinc/75/26/23/902752623.db2.gz UHGFJURFHVZRFP-GHMZBOCLSA-N 2 2 293.371 -0.381 20 0 CBADLP C[C@@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+][C@@H]1CCNC1=O ZINC001403632190 902758913 /nfs/dbraw/zinc/75/89/13/902758913.db2.gz OUMMWBOTEDDPHE-WDEREUQCSA-N 2 2 279.344 -0.792 20 0 CBADLP CCCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001403635069 902760741 /nfs/dbraw/zinc/76/07/41/902760741.db2.gz RKMSEFYZJWCONU-LBPRGKRZSA-N 2 2 295.387 -0.154 20 0 CBADLP CC(C)[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc1ccon1)[NH+](C)C ZINC001403675473 902791999 /nfs/dbraw/zinc/79/19/99/902791999.db2.gz XYXFEYZWNJYPOJ-STQMWFEESA-N 2 2 298.387 -0.173 20 0 CBADLP CCC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001403673191 902793079 /nfs/dbraw/zinc/79/30/79/902793079.db2.gz NJVLHBWBLNHJSG-NEPJUHHUSA-N 2 2 280.372 -0.078 20 0 CBADLP CCC[NH2+][C@H](CO)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001403673209 902793732 /nfs/dbraw/zinc/79/37/32/902793732.db2.gz NJVLHBWBLNHJSG-RYUDHWBXSA-N 2 2 280.372 -0.078 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@@H](CO)[NH2+]Cc1cncs1 ZINC001403749536 902836229 /nfs/dbraw/zinc/83/62/29/902836229.db2.gz PIKIKRNYHRIUFV-JTQLQIEISA-N 2 2 295.368 -0.394 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@H](CO)[NH2+]CC[C@H]1CCCO1 ZINC001403758754 902836966 /nfs/dbraw/zinc/83/69/66/902836966.db2.gz XFMRKWGQVIBKSW-CHWSQXEVSA-N 2 2 296.371 -0.481 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@@H](CO)[NH2+]CC[C@@H]1CCCO1 ZINC001403758777 902837804 /nfs/dbraw/zinc/83/78/04/902837804.db2.gz XFMRKWGQVIBKSW-STQMWFEESA-N 2 2 296.371 -0.481 20 0 CBADLP CNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)Cc2c[nH+]cn2C)C1 ZINC001403764025 902842776 /nfs/dbraw/zinc/84/27/76/902842776.db2.gz WTNLXBLVMHDJAO-WDEREUQCSA-N 2 2 293.371 -0.712 20 0 CBADLP CNC(=O)C[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001403782682 902847487 /nfs/dbraw/zinc/84/74/87/902847487.db2.gz AKNWAOFRUXHQFU-QWRGUYRKSA-N 2 2 293.371 -0.427 20 0 CBADLP CC[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)CC(=O)N(C)C ZINC001403875441 902886273 /nfs/dbraw/zinc/88/62/73/902886273.db2.gz ZVVFQMMRFBKNMV-CYBMUJFWSA-N 2 2 298.431 -0.003 20 0 CBADLP CC[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)CC(=O)N(C)C ZINC001403875441 902886282 /nfs/dbraw/zinc/88/62/82/902886282.db2.gz ZVVFQMMRFBKNMV-CYBMUJFWSA-N 2 2 298.431 -0.003 20 0 CBADLP CC[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1C)CC(=O)N(C)C ZINC001403875441 902886295 /nfs/dbraw/zinc/88/62/95/902886295.db2.gz ZVVFQMMRFBKNMV-CYBMUJFWSA-N 2 2 298.431 -0.003 20 0 CBADLP CC[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1C)CC(=O)N(C)C ZINC001403875441 902886305 /nfs/dbraw/zinc/88/63/05/902886305.db2.gz ZVVFQMMRFBKNMV-CYBMUJFWSA-N 2 2 298.431 -0.003 20 0 CBADLP CC[N@H+](CCNC(=O)Cn1cc[nH+]c1)[C@H]1CCNC1=O ZINC001403945666 902912167 /nfs/dbraw/zinc/91/21/67/902912167.db2.gz MCXDZTYEPAEJSU-NSHDSACASA-N 2 2 279.344 -0.790 20 0 CBADLP CC[N@@H+](CCNC(=O)Cn1cc[nH+]c1)[C@H]1CCNC1=O ZINC001403945666 902912173 /nfs/dbraw/zinc/91/21/73/902912173.db2.gz MCXDZTYEPAEJSU-NSHDSACASA-N 2 2 279.344 -0.790 20 0 CBADLP COC[C@@H](O)C[NH2+]C1CC(N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001404012298 902926161 /nfs/dbraw/zinc/92/61/61/902926161.db2.gz CGQUTHLLWGHMOJ-GDKBPFBDSA-N 2 2 296.371 -0.462 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+]1CCC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001404021892 902926327 /nfs/dbraw/zinc/92/63/27/902926327.db2.gz KXAUEZDJPYJGCN-QWHCGFSZSA-N 2 2 296.415 -0.073 20 0 CBADLP CC[C@H](C(N)=O)[N@H+]1CCC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001404021892 902926330 /nfs/dbraw/zinc/92/63/30/902926330.db2.gz KXAUEZDJPYJGCN-QWHCGFSZSA-N 2 2 296.415 -0.073 20 0 CBADLP CCCN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001404434081 902984510 /nfs/dbraw/zinc/98/45/10/902984510.db2.gz AMFGSSGYJHUTKY-CYBMUJFWSA-N 2 2 296.415 -0.120 20 0 CBADLP CCCN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001404434081 902984522 /nfs/dbraw/zinc/98/45/22/902984522.db2.gz AMFGSSGYJHUTKY-CYBMUJFWSA-N 2 2 296.415 -0.120 20 0 CBADLP CNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001404890442 903052322 /nfs/dbraw/zinc/05/23/22/903052322.db2.gz KTPKVCFJOJKRRF-LLVKDONJSA-N 2 2 296.415 -0.347 20 0 CBADLP CNC(=O)C[NH+]1CC(CNC(=O)CCC[NH+](C)C)C1 ZINC001404907407 903054728 /nfs/dbraw/zinc/05/47/28/903054728.db2.gz SCIDLWZDFJANOY-UHFFFAOYSA-N 2 2 270.377 -0.878 20 0 CBADLP CC[C@H](C(=O)N[C@H]1CC[N@@H+]([C@H](C)C(N)=O)C1)[NH+](C)C ZINC001404997710 903071019 /nfs/dbraw/zinc/07/10/19/903071019.db2.gz OAAXUDPXACKAHR-OUAUKWLOSA-N 2 2 270.377 -0.609 20 0 CBADLP CC[C@H](C(=O)N[C@H]1CC[N@H+]([C@H](C)C(N)=O)C1)[NH+](C)C ZINC001404997710 903071030 /nfs/dbraw/zinc/07/10/30/903071030.db2.gz OAAXUDPXACKAHR-OUAUKWLOSA-N 2 2 270.377 -0.609 20 0 CBADLP CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001405104699 903084527 /nfs/dbraw/zinc/08/45/27/903084527.db2.gz JDLGPVFUMFEEJN-GFCCVEGCSA-N 2 2 284.404 -0.347 20 0 CBADLP CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001405104699 903084535 /nfs/dbraw/zinc/08/45/35/903084535.db2.gz JDLGPVFUMFEEJN-GFCCVEGCSA-N 2 2 284.404 -0.347 20 0 CBADLP CCNC(=O)C[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001405104699 903084546 /nfs/dbraw/zinc/08/45/46/903084546.db2.gz JDLGPVFUMFEEJN-GFCCVEGCSA-N 2 2 284.404 -0.347 20 0 CBADLP CCNC(=O)C[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001405104699 903084555 /nfs/dbraw/zinc/08/45/55/903084555.db2.gz JDLGPVFUMFEEJN-GFCCVEGCSA-N 2 2 284.404 -0.347 20 0 CBADLP C[C@@H](CNC(=O)CCc1[nH+]ccn1C)C[NH2+]CC(N)=O ZINC001405687761 903202431 /nfs/dbraw/zinc/20/24/31/903202431.db2.gz MMSUUOKGFFZKDW-SNVBAGLBSA-N 2 2 281.360 -0.820 20 0 CBADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+]CC(=O)N1CCC1 ZINC001405721886 903210323 /nfs/dbraw/zinc/21/03/23/903210323.db2.gz SPGRDHRILKCWSB-GFCCVEGCSA-N 2 2 293.371 -0.543 20 0 CBADLP C[C@@H](C[NH2+]CC(N)=O)N(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001405833712 903232495 /nfs/dbraw/zinc/23/24/95/903232495.db2.gz FDNZJRZTMKNVKJ-WDEREUQCSA-N 2 2 293.371 -0.633 20 0 CBADLP C[C@H](C[NH2+][C@@H](C)C(=O)N(C)C)N(C)C(=O)Cn1cc[nH+]c1 ZINC001405925910 903246528 /nfs/dbraw/zinc/24/65/28/903246528.db2.gz ZWZCLMYLTRXJGU-NEPJUHHUSA-N 2 2 295.387 -0.204 20 0 CBADLP CNC(=O)C[NH2+][C@@H](CNC(=O)Cc1[nH]c[nH+]c1C)C(C)C ZINC001406072238 903264023 /nfs/dbraw/zinc/26/40/23/903264023.db2.gz UQCNUDAKRMTTLC-LBPRGKRZSA-N 2 2 295.387 -0.263 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@@H](CNC(=O)Cc1[nH]cc[nH+]1)C(C)C ZINC001406078614 903265901 /nfs/dbraw/zinc/26/59/01/903265901.db2.gz XVIFMNKUHHDYNC-QWRGUYRKSA-N 2 2 295.387 -0.183 20 0 CBADLP CNC(=O)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001406185978 903291124 /nfs/dbraw/zinc/29/11/24/903291124.db2.gz KIEJPWXSKBLVPE-ZYHUDNBSSA-N 2 2 293.371 -0.427 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]CC[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001406304464 903349602 /nfs/dbraw/zinc/34/96/02/903349602.db2.gz CMTCAXPVLBTVMT-VXGBXAGGSA-N 2 2 295.387 -0.108 20 0 CBADLP Cc1oncc1C[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001406339023 903363483 /nfs/dbraw/zinc/36/34/83/903363483.db2.gz STUPUWNJUZAIAS-MFKMUULPSA-N 2 2 296.371 -0.092 20 0 CBADLP Cc1oncc1C[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001406339023 903363496 /nfs/dbraw/zinc/36/34/96/903363496.db2.gz STUPUWNJUZAIAS-MFKMUULPSA-N 2 2 296.371 -0.092 20 0 CBADLP Cc1cn(C(C)(C)C(=O)N[C@H](C)C[NH2+][C@@H](C)C(N)=O)c[nH+]1 ZINC001406360077 903375316 /nfs/dbraw/zinc/37/53/16/903375316.db2.gz AIDZXBVLGKSFLP-KOLCDFICSA-N 2 2 295.387 -0.105 20 0 CBADLP CC[C@@H]([NH2+]C[C@H](C)NC(=O)CCc1c[nH]c[nH+]1)C(N)=O ZINC001406484348 903414490 /nfs/dbraw/zinc/41/44/90/903414490.db2.gz PRDFXSHOHPREKP-GXSJLCMTSA-N 2 2 281.360 -0.300 20 0 CBADLP CC[C@@H]([NH2+]C[C@H](C)NC(=O)CCc1c[nH+]c[nH]1)C(N)=O ZINC001406484348 903414501 /nfs/dbraw/zinc/41/45/01/903414501.db2.gz PRDFXSHOHPREKP-GXSJLCMTSA-N 2 2 281.360 -0.300 20 0 CBADLP CC(C)NC(=O)C[NH2+]C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001406540824 903427891 /nfs/dbraw/zinc/42/78/91/903427891.db2.gz XQFUDLUCXOQENJ-JTQLQIEISA-N 2 2 281.360 -0.429 20 0 CBADLP C[C@@H](C[NH2+][C@@H]1CCCNC1=O)NC(=O)Cn1cc[nH+]c1 ZINC001406570141 903432894 /nfs/dbraw/zinc/43/28/94/903432894.db2.gz JRDYFVRGOMJMGW-WDEREUQCSA-N 2 2 279.344 -0.744 20 0 CBADLP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)CC(N)=O ZINC001406610314 903447879 /nfs/dbraw/zinc/44/78/79/903447879.db2.gz OAARMXLFIJOCJO-RYUDHWBXSA-N 2 2 284.404 -0.217 20 0 CBADLP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)CC(N)=O ZINC001406610314 903447882 /nfs/dbraw/zinc/44/78/82/903447882.db2.gz OAARMXLFIJOCJO-RYUDHWBXSA-N 2 2 284.404 -0.217 20 0 CBADLP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)CC(N)=O ZINC001406610314 903447887 /nfs/dbraw/zinc/44/78/87/903447887.db2.gz OAARMXLFIJOCJO-RYUDHWBXSA-N 2 2 284.404 -0.217 20 0 CBADLP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)CC(N)=O ZINC001406610314 903447890 /nfs/dbraw/zinc/44/78/90/903447890.db2.gz OAARMXLFIJOCJO-RYUDHWBXSA-N 2 2 284.404 -0.217 20 0 CBADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH+](C)CC(N)=O ZINC001406610310 903447936 /nfs/dbraw/zinc/44/79/36/903447936.db2.gz OAARMXLFIJOCJO-NWDGAFQWSA-N 2 2 284.404 -0.217 20 0 CBADLP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH+](C)CC(N)=O ZINC001406610310 903447938 /nfs/dbraw/zinc/44/79/38/903447938.db2.gz OAARMXLFIJOCJO-NWDGAFQWSA-N 2 2 284.404 -0.217 20 0 CBADLP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H](C)C[N@H+](C)CC(N)=O ZINC001406610310 903447939 /nfs/dbraw/zinc/44/79/39/903447939.db2.gz OAARMXLFIJOCJO-NWDGAFQWSA-N 2 2 284.404 -0.217 20 0 CBADLP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H](C)C[N@@H+](C)CC(N)=O ZINC001406610310 903447941 /nfs/dbraw/zinc/44/79/41/903447941.db2.gz OAARMXLFIJOCJO-NWDGAFQWSA-N 2 2 284.404 -0.217 20 0 CBADLP C[C@H](C(N)=O)[N@@H+](C)C[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001406697267 903467384 /nfs/dbraw/zinc/46/73/84/903467384.db2.gz PVJXKTYGWFPMFD-VHSXEESVSA-N 2 2 281.360 -0.727 20 0 CBADLP C[C@H](C(N)=O)[N@H+](C)C[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001406697267 903467392 /nfs/dbraw/zinc/46/73/92/903467392.db2.gz PVJXKTYGWFPMFD-VHSXEESVSA-N 2 2 281.360 -0.727 20 0 CBADLP CCC[N@H+](C)CC(=O)NC[C@H]1CC[NH+]1CC(=O)N(C)CC ZINC001406880645 903502898 /nfs/dbraw/zinc/50/28/98/903502898.db2.gz FQDBIEOKAAVACM-CYBMUJFWSA-N 2 2 298.431 -0.003 20 0 CBADLP CCC[N@@H+](C)CC(=O)NC[C@H]1CC[NH+]1CC(=O)N(C)CC ZINC001406880645 903502912 /nfs/dbraw/zinc/50/29/12/903502912.db2.gz FQDBIEOKAAVACM-CYBMUJFWSA-N 2 2 298.431 -0.003 20 0 CBADLP CCC[NH+](C)CC(=O)NC[C@H]1CC[N@@H+]1CC(=O)N(C)CC ZINC001406880645 903502921 /nfs/dbraw/zinc/50/29/21/903502921.db2.gz FQDBIEOKAAVACM-CYBMUJFWSA-N 2 2 298.431 -0.003 20 0 CBADLP CCC[NH+](C)CC(=O)NC[C@H]1CC[N@H+]1CC(=O)N(C)CC ZINC001406880645 903502935 /nfs/dbraw/zinc/50/29/35/903502935.db2.gz FQDBIEOKAAVACM-CYBMUJFWSA-N 2 2 298.431 -0.003 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NCC1([NH2+]CC(=O)NC2CC2)CC1 ZINC001406979931 903522115 /nfs/dbraw/zinc/52/21/15/903522115.db2.gz OUUFYHMIQIOJJE-UHFFFAOYSA-N 2 2 291.355 -0.531 20 0 CBADLP COC[C@H](O)C[NH2+]C1(CNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001406985281 903522537 /nfs/dbraw/zinc/52/25/37/903522537.db2.gz FVFWGVGONRMFMJ-GFCCVEGCSA-N 2 2 296.371 -0.792 20 0 CBADLP O=C(Cn1cc[nH+]c1)NCC1([NH2+][C@@H]2CCNC2=O)CC1 ZINC001407001547 903525680 /nfs/dbraw/zinc/52/56/80/903525680.db2.gz WPKPSGMTBRMJDC-SNVBAGLBSA-N 2 2 277.328 -0.990 20 0 CBADLP COC[C@@H](O)C[NH+]1CC(N(C)C(=O)C2([NH+](C)C)CCC2)C1 ZINC001407049535 903530672 /nfs/dbraw/zinc/53/06/72/903530672.db2.gz DUXQNZFSCDCCIR-ZDUSSCGKSA-N 2 2 299.415 -0.379 20 0 CBADLP COC[C@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001407349993 903576051 /nfs/dbraw/zinc/57/60/51/903576051.db2.gz JOZXAFVXMXWBCH-SMDDNHRTSA-N 2 2 296.371 -0.460 20 0 CBADLP COC[C@H](C)[N@H+]1CC[C@@](O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001407349993 903576065 /nfs/dbraw/zinc/57/60/65/903576065.db2.gz JOZXAFVXMXWBCH-SMDDNHRTSA-N 2 2 296.371 -0.460 20 0 CBADLP C[C@H](O)C[NH+]1CC(O)(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001407421939 903602016 /nfs/dbraw/zinc/60/20/16/903602016.db2.gz ZDBCTCMXPCNSQV-NWDGAFQWSA-N 2 2 285.388 -0.986 20 0 CBADLP C[C@H](O)C[NH+]1CC(O)(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001407421939 903602028 /nfs/dbraw/zinc/60/20/28/903602028.db2.gz ZDBCTCMXPCNSQV-NWDGAFQWSA-N 2 2 285.388 -0.986 20 0 CBADLP C[C@@H](O)CCC[NH+]1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001407466243 903612240 /nfs/dbraw/zinc/61/22/40/903612240.db2.gz GWXNQIYIPXJEHP-OLZOCXBDSA-N 2 2 299.415 -0.738 20 0 CBADLP C[C@@H](O)CCC[NH+]1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001407466243 903612246 /nfs/dbraw/zinc/61/22/46/903612246.db2.gz GWXNQIYIPXJEHP-OLZOCXBDSA-N 2 2 299.415 -0.738 20 0 CBADLP C[C@H](O)CCC[NH+]1CC(O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001407474607 903614859 /nfs/dbraw/zinc/61/48/59/903614859.db2.gz VIHNVKBEZYVNKW-ZDUSSCGKSA-N 2 2 299.415 -0.594 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)NCC2(O)C[NH+](C(C)C)C2)C1 ZINC001407483686 903619595 /nfs/dbraw/zinc/61/95/95/903619595.db2.gz YPTQGHPAOVANHF-LBPRGKRZSA-N 2 2 285.388 -0.722 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)NCC2(O)C[NH+](C(C)C)C2)C1 ZINC001407483686 903619601 /nfs/dbraw/zinc/61/96/01/903619601.db2.gz YPTQGHPAOVANHF-LBPRGKRZSA-N 2 2 285.388 -0.722 20 0 CBADLP C[NH+](C)CCC(=O)N1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001407560515 903629157 /nfs/dbraw/zinc/62/91/57/903629157.db2.gz NHFLVAXJGRKDMR-NSHDSACASA-N 2 2 293.371 -0.379 20 0 CBADLP C[C@@H]([NH2+]CC[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1)C(N)=O ZINC001407697833 903646478 /nfs/dbraw/zinc/64/64/78/903646478.db2.gz NWHLKZBVOBFZPG-NEPJUHHUSA-N 2 2 293.371 -0.415 20 0 CBADLP CC[N@H+](C)CCC(=O)NC[C@@H]1COCC[NH+]1C[C@H](C)O ZINC001407743090 903652322 /nfs/dbraw/zinc/65/23/22/903652322.db2.gz DPXKTZQYYKKQEB-QWHCGFSZSA-N 2 2 287.404 -0.474 20 0 CBADLP CC[N@@H+](C)CCC(=O)NC[C@@H]1COCC[NH+]1C[C@H](C)O ZINC001407743090 903652325 /nfs/dbraw/zinc/65/23/25/903652325.db2.gz DPXKTZQYYKKQEB-QWHCGFSZSA-N 2 2 287.404 -0.474 20 0 CBADLP CC[NH+](C)CCC(=O)NC[C@@H]1COCC[N@@H+]1C[C@H](C)O ZINC001407743090 903652328 /nfs/dbraw/zinc/65/23/28/903652328.db2.gz DPXKTZQYYKKQEB-QWHCGFSZSA-N 2 2 287.404 -0.474 20 0 CBADLP CC[NH+](C)CCC(=O)NC[C@@H]1COCC[N@H+]1C[C@H](C)O ZINC001407743090 903652332 /nfs/dbraw/zinc/65/23/32/903652332.db2.gz DPXKTZQYYKKQEB-QWHCGFSZSA-N 2 2 287.404 -0.474 20 0 CBADLP CC[N@H+](C)CCC(=O)NC[C@H]1COCC[NH+]1C[C@H](C)O ZINC001407743091 903653795 /nfs/dbraw/zinc/65/37/95/903653795.db2.gz DPXKTZQYYKKQEB-STQMWFEESA-N 2 2 287.404 -0.474 20 0 CBADLP CC[N@@H+](C)CCC(=O)NC[C@H]1COCC[NH+]1C[C@H](C)O ZINC001407743091 903653799 /nfs/dbraw/zinc/65/37/99/903653799.db2.gz DPXKTZQYYKKQEB-STQMWFEESA-N 2 2 287.404 -0.474 20 0 CBADLP CC[NH+](C)CCC(=O)NC[C@H]1COCC[N@@H+]1C[C@H](C)O ZINC001407743091 903653806 /nfs/dbraw/zinc/65/38/06/903653806.db2.gz DPXKTZQYYKKQEB-STQMWFEESA-N 2 2 287.404 -0.474 20 0 CBADLP CC[NH+](C)CCC(=O)NC[C@H]1COCC[N@H+]1C[C@H](C)O ZINC001407743091 903653811 /nfs/dbraw/zinc/65/38/11/903653811.db2.gz DPXKTZQYYKKQEB-STQMWFEESA-N 2 2 287.404 -0.474 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@H](O)C(C)(C)O)CC1 ZINC001459794475 914742230 /nfs/dbraw/zinc/74/22/30/914742230.db2.gz BEGUVHDHKIJSJG-OLZOCXBDSA-N 2 2 299.415 -0.643 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@H](O)C(C)(C)O)CC1 ZINC001459794475 914742289 /nfs/dbraw/zinc/74/22/89/914742289.db2.gz BEGUVHDHKIJSJG-OLZOCXBDSA-N 2 2 299.415 -0.643 20 0 CBADLP NC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001408301341 903747424 /nfs/dbraw/zinc/74/74/24/903747424.db2.gz CZABXFUMMJPJBZ-NSHDSACASA-N 2 2 279.344 -0.661 20 0 CBADLP C[C@H](CNC(=O)CC[NH+](C)C)NC(=O)Cn1cc[nH+]c1 ZINC001408302577 903749104 /nfs/dbraw/zinc/74/91/04/903749104.db2.gz DJKAIAMNXQMRQG-LLVKDONJSA-N 2 2 281.360 -0.544 20 0 CBADLP CCC[N@H+](C)CC(=O)N[C@@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001408360770 903755652 /nfs/dbraw/zinc/75/56/52/903755652.db2.gz GXBZQCLAAVKYRR-NSHDSACASA-N 2 2 295.387 -0.085 20 0 CBADLP CCC[N@@H+](C)CC(=O)N[C@@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001408360770 903755662 /nfs/dbraw/zinc/75/56/62/903755662.db2.gz GXBZQCLAAVKYRR-NSHDSACASA-N 2 2 295.387 -0.085 20 0 CBADLP CC[C@H]([NH2+]CC1CC(NC(=O)Cc2c[nH]c[nH+]2)C1)C(N)=O ZINC001409264920 903874926 /nfs/dbraw/zinc/87/49/26/903874926.db2.gz AKJUPPNVSORBKT-CBINBANVSA-N 2 2 293.371 -0.300 20 0 CBADLP CCNC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001409350298 903889051 /nfs/dbraw/zinc/88/90/51/903889051.db2.gz CPIGYVJYSNTEFK-ZJUUUORDSA-N 2 2 281.360 -0.429 20 0 CBADLP CCN(C)C(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001409412991 903896372 /nfs/dbraw/zinc/89/63/72/903896372.db2.gz YIYVSGYBBBEQFB-QWRGUYRKSA-N 2 2 295.387 -0.087 20 0 CBADLP COC[C@@]1(CO)CC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC001460108065 914760568 /nfs/dbraw/zinc/76/05/68/914760568.db2.gz GTOJJFHRQJQFHC-KGLIPLIRSA-N 2 2 272.389 -0.228 20 0 CBADLP COC[C@@]1(CO)CC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC001460108065 914760574 /nfs/dbraw/zinc/76/05/74/914760574.db2.gz GTOJJFHRQJQFHC-KGLIPLIRSA-N 2 2 272.389 -0.228 20 0 CBADLP COC[C@@]1(CO)CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC001460108065 914760585 /nfs/dbraw/zinc/76/05/85/914760585.db2.gz GTOJJFHRQJQFHC-KGLIPLIRSA-N 2 2 272.389 -0.228 20 0 CBADLP COC[C@@]1(CO)CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC001460108065 914760593 /nfs/dbraw/zinc/76/05/93/914760593.db2.gz GTOJJFHRQJQFHC-KGLIPLIRSA-N 2 2 272.389 -0.228 20 0 CBADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CC(N)=O ZINC001409556191 903925228 /nfs/dbraw/zinc/92/52/28/903925228.db2.gz NJFRFNPTURHABS-RYUDHWBXSA-N 2 2 284.404 -0.219 20 0 CBADLP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CC(N)=O ZINC001409556191 903925237 /nfs/dbraw/zinc/92/52/37/903925237.db2.gz NJFRFNPTURHABS-RYUDHWBXSA-N 2 2 284.404 -0.219 20 0 CBADLP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@H+](C)CC(N)=O ZINC001409556191 903925249 /nfs/dbraw/zinc/92/52/49/903925249.db2.gz NJFRFNPTURHABS-RYUDHWBXSA-N 2 2 284.404 -0.219 20 0 CBADLP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@@H+](C)CC(N)=O ZINC001409556191 903925256 /nfs/dbraw/zinc/92/52/56/903925256.db2.gz NJFRFNPTURHABS-RYUDHWBXSA-N 2 2 284.404 -0.219 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NC[C@@H](C)[N@H+](C)[C@H](C)C(N)=O ZINC001409581994 903931529 /nfs/dbraw/zinc/93/15/29/903931529.db2.gz NDGCFRLJEQRRDT-MWLCHTKSSA-N 2 2 281.360 -0.498 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NC[C@@H](C)[N@@H+](C)[C@H](C)C(N)=O ZINC001409581994 903931545 /nfs/dbraw/zinc/93/15/45/903931545.db2.gz NDGCFRLJEQRRDT-MWLCHTKSSA-N 2 2 281.360 -0.498 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+](C)[C@@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001409648561 903947312 /nfs/dbraw/zinc/94/73/12/903947312.db2.gz QMQRUIHAUKHPQJ-JQWIXIFHSA-N 2 2 295.387 -0.337 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+](C)[C@@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001409648561 903947321 /nfs/dbraw/zinc/94/73/21/903947321.db2.gz QMQRUIHAUKHPQJ-JQWIXIFHSA-N 2 2 295.387 -0.337 20 0 CBADLP C[C@@H](O)C[NH+]1CC([C@@H](C)NC(=O)Cc2c[nH+]cn2C)C1 ZINC001409970213 903990160 /nfs/dbraw/zinc/99/01/60/903990160.db2.gz RNUKMSVXCXKWLM-GHMZBOCLSA-N 2 2 280.372 -0.220 20 0 CBADLP C[C@@H](O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001410106651 904018507 /nfs/dbraw/zinc/01/85/07/904018507.db2.gz JQWGVDQGIKKKDN-SYQHCUMBSA-N 2 2 292.383 -0.052 20 0 CBADLP C[C@@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001410106651 904018516 /nfs/dbraw/zinc/01/85/16/904018516.db2.gz JQWGVDQGIKKKDN-SYQHCUMBSA-N 2 2 292.383 -0.052 20 0 CBADLP CNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001410209111 904045452 /nfs/dbraw/zinc/04/54/52/904045452.db2.gz DNJMJEGQCGMKJO-HAQNSBGRSA-N 2 2 293.371 -0.496 20 0 CBADLP CCCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001410458121 904102144 /nfs/dbraw/zinc/10/21/44/904102144.db2.gz ZDUMVGKRLTXIFX-NSHDSACASA-N 2 2 295.387 -0.085 20 0 CBADLP C[C@@H](CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1)[NH2+]CC(N)=O ZINC001410479003 904104247 /nfs/dbraw/zinc/10/42/47/904104247.db2.gz CEXCNQQXPQLSGA-VIFPVBQESA-N 2 2 281.360 -0.391 20 0 CBADLP C[C@H](CN(C)C(=O)CCCn1cc[nH+]c1)[NH2+][C@H](C)C(N)=O ZINC001410515521 904112945 /nfs/dbraw/zinc/11/29/45/904112945.db2.gz COJXKQFADIARDA-VXGBXAGGSA-N 2 2 295.387 -0.026 20 0 CBADLP CC(C)[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc1ccon1)[NH+](C)C ZINC001410739666 904176449 /nfs/dbraw/zinc/17/64/49/904176449.db2.gz XYXFEYZWNJYPOJ-QWHCGFSZSA-N 2 2 298.387 -0.173 20 0 CBADLP C[C@H](O)C[NH2+]C[C@@H](O)CN(C)C(=O)CCn1cc[nH+]c1 ZINC001411068768 904229102 /nfs/dbraw/zinc/22/91/02/904229102.db2.gz KTCCENXFEPEIND-NWDGAFQWSA-N 2 2 284.360 -0.937 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001411184745 904255236 /nfs/dbraw/zinc/25/52/36/904255236.db2.gz IYDFDMBNXRUZGK-GFCCVEGCSA-N 2 2 284.360 -0.650 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001411184745 904255249 /nfs/dbraw/zinc/25/52/49/904255249.db2.gz IYDFDMBNXRUZGK-GFCCVEGCSA-N 2 2 284.360 -0.650 20 0 CBADLP CN(C[C@@H](O)C[N@H+](C)CCCO)C(=O)Cn1cc[nH+]c1 ZINC001411192415 904265945 /nfs/dbraw/zinc/26/59/45/904265945.db2.gz ZIXSKGKDGRBKOD-LBPRGKRZSA-N 2 2 284.360 -0.983 20 0 CBADLP CN(C[C@@H](O)C[N@@H+](C)CCCO)C(=O)Cn1cc[nH+]c1 ZINC001411192415 904265959 /nfs/dbraw/zinc/26/59/59/904265959.db2.gz ZIXSKGKDGRBKOD-LBPRGKRZSA-N 2 2 284.360 -0.983 20 0 CBADLP c1nnnn1CC[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC001460775419 914819280 /nfs/dbraw/zinc/81/92/80/914819280.db2.gz DATOBCUNVBGAOZ-UHFFFAOYSA-N 2 2 280.376 -0.094 20 0 CBADLP CNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C)[NH+](C)C)CC1 ZINC001413674337 905164987 /nfs/dbraw/zinc/16/49/87/905164987.db2.gz BPRUAXMESCBRII-LLVKDONJSA-N 2 2 270.377 -0.783 20 0 CBADLP CNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](C)[NH+](C)C)CC1 ZINC001413674337 905164994 /nfs/dbraw/zinc/16/49/94/905164994.db2.gz BPRUAXMESCBRII-LLVKDONJSA-N 2 2 270.377 -0.783 20 0 CBADLP COC(=O)[C@@H]1CN(CC[N@@H+]2CCO[C@H](C)C2)CC[NH+](C)C1 ZINC001414001786 905309551 /nfs/dbraw/zinc/30/95/51/905309551.db2.gz VTQOKMLHINHLPB-KGLIPLIRSA-N 2 2 299.415 -0.256 20 0 CBADLP COC(=O)[C@@H]1CN(CC[N@H+]2CCO[C@H](C)C2)CC[NH+](C)C1 ZINC001414001786 905309568 /nfs/dbraw/zinc/30/95/68/905309568.db2.gz VTQOKMLHINHLPB-KGLIPLIRSA-N 2 2 299.415 -0.256 20 0 CBADLP COC(=O)[C@@H]1CN(CC[NH+]2CCO[C@H](C)C2)CC[N@H+](C)C1 ZINC001414001786 905309588 /nfs/dbraw/zinc/30/95/88/905309588.db2.gz VTQOKMLHINHLPB-KGLIPLIRSA-N 2 2 299.415 -0.256 20 0 CBADLP COC(=O)[C@@H]1CN(CC[NH+]2CCO[C@H](C)C2)CC[N@@H+](C)C1 ZINC001414001786 905309594 /nfs/dbraw/zinc/30/95/94/905309594.db2.gz VTQOKMLHINHLPB-KGLIPLIRSA-N 2 2 299.415 -0.256 20 0 CBADLP C[C@H](CNC(=O)CCc1[nH]cc[nH+]1)NC(=O)CC[NH+](C)C ZINC001416854533 905819842 /nfs/dbraw/zinc/81/98/42/905819842.db2.gz DNRKFLIRQLCLOQ-LLVKDONJSA-N 2 2 295.387 -0.085 20 0 CBADLP NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001417765507 906043329 /nfs/dbraw/zinc/04/33/29/906043329.db2.gz UWVBOGBIAQXNRH-JGZJWPJOSA-N 2 2 279.344 -0.688 20 0 CBADLP NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001417765507 906043341 /nfs/dbraw/zinc/04/33/41/906043341.db2.gz UWVBOGBIAQXNRH-JGZJWPJOSA-N 2 2 279.344 -0.688 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)NC[C@H]1C[C@H]([NH2+]CCO)C1 ZINC001417789713 906051307 /nfs/dbraw/zinc/05/13/07/906051307.db2.gz QYRYUARNYOHEEW-HAQNSBGRSA-N 2 2 280.372 -0.171 20 0 CBADLP O=C(NC[C@H]([NH2+]CCO)C1CC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001417987356 906132320 /nfs/dbraw/zinc/13/23/20/906132320.db2.gz YUIOENRLQLYHIL-OLZOCXBDSA-N 2 2 292.383 -0.078 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001418063770 906155984 /nfs/dbraw/zinc/15/59/84/906155984.db2.gz MONDIIAWAAUJNL-SRVKXCTJSA-N 2 2 293.371 -0.356 20 0 CBADLP COC[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001418100136 906169636 /nfs/dbraw/zinc/16/96/36/906169636.db2.gz SNPAVXCDRLBHFW-FRRDWIJNSA-N 2 2 296.371 -0.483 20 0 CBADLP CC(C)CNC(=O)C[NH2+][C@@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001418283377 906256895 /nfs/dbraw/zinc/25/68/95/906256895.db2.gz KMODSQGGTMTXPA-NSHDSACASA-N 2 2 295.387 -0.181 20 0 CBADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]Cc1ccnn1C ZINC001418293003 906262434 /nfs/dbraw/zinc/26/24/34/906262434.db2.gz RLWFOSHWIFXBPM-JTQLQIEISA-N 2 2 276.344 -0.020 20 0 CBADLP COC[C@H](O)C[NH2+][C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001418294520 906265611 /nfs/dbraw/zinc/26/56/11/906265611.db2.gz YGLOBGTWLCVSPZ-NXEZZACHSA-N 2 2 270.333 -0.946 20 0 CBADLP C[C@H](C(N)=O)[N@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001418491181 906366954 /nfs/dbraw/zinc/36/69/54/906366954.db2.gz PWAXEJYYTASKNP-MNOVXSKESA-N 2 2 270.377 -0.608 20 0 CBADLP C[C@H](C(N)=O)[N@@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001418491181 906366970 /nfs/dbraw/zinc/36/69/70/906366970.db2.gz PWAXEJYYTASKNP-MNOVXSKESA-N 2 2 270.377 -0.608 20 0 CBADLP C[C@H](C(N)=O)[NH+](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001418491181 906366985 /nfs/dbraw/zinc/36/69/85/906366985.db2.gz PWAXEJYYTASKNP-MNOVXSKESA-N 2 2 270.377 -0.608 20 0 CBADLP C[C@H](C(N)=O)[NH+](C)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001418491181 906367001 /nfs/dbraw/zinc/36/70/01/906367001.db2.gz PWAXEJYYTASKNP-MNOVXSKESA-N 2 2 270.377 -0.608 20 0 CBADLP CC[C@H](C(=O)NCC[N@H+](C)CC(=O)N(C)CC)[NH+](C)C ZINC001418510958 906378975 /nfs/dbraw/zinc/37/89/75/906378975.db2.gz AAWMQTTWMJLUSC-GFCCVEGCSA-N 2 2 286.420 -0.147 20 0 CBADLP CC[C@H](C(=O)NCC[N@@H+](C)CC(=O)N(C)CC)[NH+](C)C ZINC001418510958 906378986 /nfs/dbraw/zinc/37/89/86/906378986.db2.gz AAWMQTTWMJLUSC-GFCCVEGCSA-N 2 2 286.420 -0.147 20 0 CBADLP COC[C@H](O)C[N@H+](C)CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001418518991 906381444 /nfs/dbraw/zinc/38/14/44/906381444.db2.gz YANWVDHWUQLARB-LLVKDONJSA-N 2 2 284.360 -0.684 20 0 CBADLP COC[C@H](O)C[N@@H+](C)CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001418518991 906381451 /nfs/dbraw/zinc/38/14/51/906381451.db2.gz YANWVDHWUQLARB-LLVKDONJSA-N 2 2 284.360 -0.684 20 0 CBADLP CC[N@H+](CCNC(=O)Cn1c[nH+]cc1C)[C@@H](C)C(N)=O ZINC001418555626 906407668 /nfs/dbraw/zinc/40/76/68/906407668.db2.gz FYQFPNBWBIHDSH-NSHDSACASA-N 2 2 281.360 -0.497 20 0 CBADLP CC[N@@H+](CCNC(=O)Cn1c[nH+]cc1C)[C@@H](C)C(N)=O ZINC001418555626 906407679 /nfs/dbraw/zinc/40/76/79/906407679.db2.gz FYQFPNBWBIHDSH-NSHDSACASA-N 2 2 281.360 -0.497 20 0 CBADLP CC[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)Cn2cc[nH+]c2)C1)C(N)=O ZINC001418710237 906454615 /nfs/dbraw/zinc/45/46/15/906454615.db2.gz REGMWBMGDUGVLS-IJLUTSLNSA-N 2 2 293.371 -0.369 20 0 CBADLP CC[C@H]([NH2+]CCN(C)C(=O)CCn1cc[nH+]c1)C(N)=O ZINC001418820093 906488090 /nfs/dbraw/zinc/48/80/90/906488090.db2.gz FLBCNQYMNUVMJB-NSHDSACASA-N 2 2 281.360 -0.415 20 0 CBADLP C[N@H+](CC(N)=O)C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001418941091 906522171 /nfs/dbraw/zinc/52/21/71/906522171.db2.gz KOGVVLCJWPDJED-LLVKDONJSA-N 2 2 279.344 -0.851 20 0 CBADLP C[N@@H+](CC(N)=O)C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001418941091 906522159 /nfs/dbraw/zinc/52/21/59/906522159.db2.gz KOGVVLCJWPDJED-LLVKDONJSA-N 2 2 279.344 -0.851 20 0 CBADLP CC[C@@H](C(=O)N[C@H]1CCC[N@@H+]([C@@H]2CCNC2=O)C1)[NH+](C)C ZINC001418957907 906529809 /nfs/dbraw/zinc/52/98/09/906529809.db2.gz IJZGPCOITTZHIN-RWMBFGLXSA-N 2 2 296.415 -0.204 20 0 CBADLP CC[C@@H](C(=O)N[C@H]1CCC[N@H+]([C@@H]2CCNC2=O)C1)[NH+](C)C ZINC001418957907 906529820 /nfs/dbraw/zinc/52/98/20/906529820.db2.gz IJZGPCOITTZHIN-RWMBFGLXSA-N 2 2 296.415 -0.204 20 0 CBADLP C[C@H](O)C[NH+]1CC(NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001418993546 906550545 /nfs/dbraw/zinc/55/05/45/906550545.db2.gz KZYAWDDTSXNDIQ-NSHDSACASA-N 2 2 285.388 -0.722 20 0 CBADLP CCCNC(=O)C[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001419037085 906568805 /nfs/dbraw/zinc/56/88/05/906568805.db2.gz DCCAWBHDPWUDRU-ZDUSSCGKSA-N 2 2 296.415 -0.488 20 0 CBADLP CCCNC(=O)C[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001419037085 906568816 /nfs/dbraw/zinc/56/88/16/906568816.db2.gz DCCAWBHDPWUDRU-ZDUSSCGKSA-N 2 2 296.415 -0.488 20 0 CBADLP O=C(C[NH+]1CC(CNC(=O)C[NH+]2CCCC2)C1)NC1CC1 ZINC001419036602 906570543 /nfs/dbraw/zinc/57/05/43/906570543.db2.gz BVASQKFIUMOPDR-UHFFFAOYSA-N 2 2 294.399 -0.591 20 0 CBADLP CC[C@@H](C(=O)NCC1C[NH+](CC(=O)NC2CC2)C1)[NH+](C)C ZINC001419034225 906570586 /nfs/dbraw/zinc/57/05/86/906570586.db2.gz BHDZXGMNOSRYJT-ZDUSSCGKSA-N 2 2 296.415 -0.347 20 0 CBADLP CCC[N@H+](C)CC(=O)N(C)[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001419140905 906607483 /nfs/dbraw/zinc/60/74/83/906607483.db2.gz MLFLNHQDRWMODO-LLVKDONJSA-N 2 2 270.377 -0.654 20 0 CBADLP CCC[N@@H+](C)CC(=O)N(C)[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001419140905 906607497 /nfs/dbraw/zinc/60/74/97/906607497.db2.gz MLFLNHQDRWMODO-LLVKDONJSA-N 2 2 270.377 -0.654 20 0 CBADLP CCC[NH+](C)CC(=O)N(C)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001419140905 906607505 /nfs/dbraw/zinc/60/75/05/906607505.db2.gz MLFLNHQDRWMODO-LLVKDONJSA-N 2 2 270.377 -0.654 20 0 CBADLP CCC[NH+](C)CC(=O)N(C)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001419140905 906607515 /nfs/dbraw/zinc/60/75/15/906607515.db2.gz MLFLNHQDRWMODO-LLVKDONJSA-N 2 2 270.377 -0.654 20 0 CBADLP CC[C@H](CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)[NH2+]CC(=O)NC ZINC001419238853 906643573 /nfs/dbraw/zinc/64/35/73/906643573.db2.gz CIKWPPFHJASPPG-GHMZBOCLSA-N 2 2 295.387 -0.181 20 0 CBADLP CC[C@H](CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1)[NH2+]CC(=O)NC ZINC001419238853 906643579 /nfs/dbraw/zinc/64/35/79/906643579.db2.gz CIKWPPFHJASPPG-GHMZBOCLSA-N 2 2 295.387 -0.181 20 0 CBADLP CC[C@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+][C@H](C)C(N)=O ZINC001419274498 906655444 /nfs/dbraw/zinc/65/54/44/906655444.db2.gz ZSCQDNKQRPCLEM-NXEZZACHSA-N 2 2 281.360 -0.679 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]([NH2+]CC(N)=O)C1CC1 ZINC001419289072 906659255 /nfs/dbraw/zinc/65/92/55/906659255.db2.gz AUDDFMAIFCOWIK-SKDRFNHKSA-N 2 2 293.371 -0.442 20 0 CBADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]([NH2+]CC(N)=O)C1CC1 ZINC001419289072 906659264 /nfs/dbraw/zinc/65/92/64/906659264.db2.gz AUDDFMAIFCOWIK-SKDRFNHKSA-N 2 2 293.371 -0.442 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H]([NH2+][C@@H]1CCNC1=O)C1CC1 ZINC001419299290 906659713 /nfs/dbraw/zinc/65/97/13/906659713.db2.gz KPOXIIXNSICZBH-GHMZBOCLSA-N 2 2 291.355 -0.675 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)N[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001419414694 906683422 /nfs/dbraw/zinc/68/34/22/906683422.db2.gz LXXAUKZEJOHUGP-IJLUTSLNSA-N 2 2 291.355 -0.532 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)N[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001419414694 906683429 /nfs/dbraw/zinc/68/34/29/906683429.db2.gz LXXAUKZEJOHUGP-IJLUTSLNSA-N 2 2 291.355 -0.532 20 0 CBADLP COC[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001419423801 906684958 /nfs/dbraw/zinc/68/49/58/906684958.db2.gz ANMNKLQDGPPIPU-DCAQKATOSA-N 2 2 282.344 -0.804 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001419432970 906684993 /nfs/dbraw/zinc/68/49/93/906684993.db2.gz RNALTSMGBNIRQS-XYPYZODXSA-N 2 2 295.391 -0.713 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001419432970 906685005 /nfs/dbraw/zinc/68/50/05/906685005.db2.gz RNALTSMGBNIRQS-XYPYZODXSA-N 2 2 295.391 -0.713 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)C[NH2+]CC(N)=O ZINC001419478026 906700344 /nfs/dbraw/zinc/70/03/44/906700344.db2.gz APRNUXUXWOUFHK-MNOVXSKESA-N 2 2 293.371 -0.727 20 0 CBADLP CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)CCn2cc[nH+]c2)C1)C(N)=O ZINC001419481093 906700387 /nfs/dbraw/zinc/70/03/87/906700387.db2.gz SFICCBYYYDNVAF-TUAOUCFPSA-N 2 2 293.371 -0.226 20 0 CBADLP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+](C[C@@H](C)O)CCO1 ZINC001419592990 906734644 /nfs/dbraw/zinc/73/46/44/906734644.db2.gz HSNNHKFDJTXNJN-CHWSQXEVSA-N 2 2 287.404 -0.474 20 0 CBADLP CCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](C[C@@H](C)O)CCO1 ZINC001419592990 906734656 /nfs/dbraw/zinc/73/46/56/906734656.db2.gz HSNNHKFDJTXNJN-CHWSQXEVSA-N 2 2 287.404 -0.474 20 0 CBADLP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@H+](C[C@@H](C)O)CCO1 ZINC001419592990 906734668 /nfs/dbraw/zinc/73/46/68/906734668.db2.gz HSNNHKFDJTXNJN-CHWSQXEVSA-N 2 2 287.404 -0.474 20 0 CBADLP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](C[C@@H](C)O)CCO1 ZINC001419592990 906734684 /nfs/dbraw/zinc/73/46/84/906734684.db2.gz HSNNHKFDJTXNJN-CHWSQXEVSA-N 2 2 287.404 -0.474 20 0 CBADLP C[C@@H]([NH2+]C1(CNC(=O)Cc2[nH]cc[nH+]2)CCCC1)C(N)=O ZINC001419616149 906740545 /nfs/dbraw/zinc/74/05/45/906740545.db2.gz USZCTRACDFBSIP-SNVBAGLBSA-N 2 2 293.371 -0.155 20 0 CBADLP C[C@H](C[NH2+]Cc1cnnn1C)N(C)C(=O)Cn1cc[nH+]c1 ZINC001419763278 906807289 /nfs/dbraw/zinc/80/72/89/906807289.db2.gz CXAAEJZNMZVIRD-LLVKDONJSA-N 2 2 291.359 -0.352 20 0 CBADLP C[C@@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]CC(=O)N(C)C ZINC001419836195 906832757 /nfs/dbraw/zinc/83/27/57/906832757.db2.gz OYYJMAJBDLKYTN-NSHDSACASA-N 2 2 281.360 -0.544 20 0 CBADLP C[C@H]([NH2+]CC(N)=O)[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001419838323 906833480 /nfs/dbraw/zinc/83/34/80/906833480.db2.gz XEPIYCRRKMXMJE-WDEREUQCSA-N 2 2 293.371 -0.346 20 0 CBADLP C[C@@H]([NH2+][C@@H](C)CNC(=O)Cc1c[nH]c[nH+]1)C(=O)NC1CC1 ZINC001419857662 906837960 /nfs/dbraw/zinc/83/79/60/906837960.db2.gz GPBCPWCOQBFWHY-VHSXEESVSA-N 2 2 293.371 -0.286 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@H](CNC(=O)Cn1cc[nH+]c1)C(C)C ZINC001419944966 906867318 /nfs/dbraw/zinc/86/73/18/906867318.db2.gz VRAPYSZEUXSJBY-NWDGAFQWSA-N 2 2 295.387 -0.252 20 0 CBADLP C[C@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+]CCn1cncn1 ZINC001420172323 906985315 /nfs/dbraw/zinc/98/53/15/906985315.db2.gz RYYFPXLIRSSAHH-GFCCVEGCSA-N 2 2 291.359 -0.341 20 0 CBADLP CNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001420218535 907022862 /nfs/dbraw/zinc/02/28/62/907022862.db2.gz KHBKLITWKBSSON-GHMZBOCLSA-N 2 2 270.377 -0.879 20 0 CBADLP CNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001420218535 907022879 /nfs/dbraw/zinc/02/28/79/907022879.db2.gz KHBKLITWKBSSON-GHMZBOCLSA-N 2 2 270.377 -0.879 20 0 CBADLP CNC(=O)C[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001420218535 907022897 /nfs/dbraw/zinc/02/28/97/907022897.db2.gz KHBKLITWKBSSON-GHMZBOCLSA-N 2 2 270.377 -0.879 20 0 CBADLP CNC(=O)C[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001420218535 907022915 /nfs/dbraw/zinc/02/29/15/907022915.db2.gz KHBKLITWKBSSON-GHMZBOCLSA-N 2 2 270.377 -0.879 20 0 CBADLP CCN(C)C(=O)C[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001420215905 907025197 /nfs/dbraw/zinc/02/51/97/907025197.db2.gz CBANADDYLCZASJ-CHWSQXEVSA-N 2 2 298.431 -0.147 20 0 CBADLP CCN(C)C(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001420215905 907025219 /nfs/dbraw/zinc/02/52/19/907025219.db2.gz CBANADDYLCZASJ-CHWSQXEVSA-N 2 2 298.431 -0.147 20 0 CBADLP CCN(C)C(=O)C[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001420215905 907025238 /nfs/dbraw/zinc/02/52/38/907025238.db2.gz CBANADDYLCZASJ-CHWSQXEVSA-N 2 2 298.431 -0.147 20 0 CBADLP CCN(C)C(=O)C[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001420215905 907025257 /nfs/dbraw/zinc/02/52/57/907025257.db2.gz CBANADDYLCZASJ-CHWSQXEVSA-N 2 2 298.431 -0.147 20 0 CBADLP CCN(CC[NH2+][C@@H](C)C(N)=O)C(=O)CCn1cc[nH+]c1 ZINC001420239176 907039372 /nfs/dbraw/zinc/03/93/72/907039372.db2.gz GTQARXYYDQDPGT-NSHDSACASA-N 2 2 281.360 -0.415 20 0 CBADLP C[N@H+](CCNC(=O)C(C)(C)[NH+]1CCCC1)[C@@H]1CCNC1=O ZINC001420288571 907070967 /nfs/dbraw/zinc/07/09/67/907070967.db2.gz XSZLUYIQPTWQHY-GFCCVEGCSA-N 2 2 296.415 -0.203 20 0 CBADLP C[N@@H+](CCNC(=O)C(C)(C)[NH+]1CCCC1)[C@@H]1CCNC1=O ZINC001420288571 907070983 /nfs/dbraw/zinc/07/09/83/907070983.db2.gz XSZLUYIQPTWQHY-GFCCVEGCSA-N 2 2 296.415 -0.203 20 0 CBADLP C[N@H+](CCNC(=O)C(C)(C)[NH+]1CCCC1)[C@H]1CCNC1=O ZINC001420288574 907072411 /nfs/dbraw/zinc/07/24/11/907072411.db2.gz XSZLUYIQPTWQHY-LBPRGKRZSA-N 2 2 296.415 -0.203 20 0 CBADLP C[N@@H+](CCNC(=O)C(C)(C)[NH+]1CCCC1)[C@H]1CCNC1=O ZINC001420288574 907072430 /nfs/dbraw/zinc/07/24/30/907072430.db2.gz XSZLUYIQPTWQHY-LBPRGKRZSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001420335361 907108350 /nfs/dbraw/zinc/10/83/50/907108350.db2.gz UKTQTNPDVVVXRJ-OLZOCXBDSA-N 2 2 298.431 -0.099 20 0 CBADLP CNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001420335361 907108361 /nfs/dbraw/zinc/10/83/61/907108361.db2.gz UKTQTNPDVVVXRJ-OLZOCXBDSA-N 2 2 298.431 -0.099 20 0 CBADLP CCN(C)C(=O)C[N@H+](C)CCNC(=O)Cn1cc[nH+]c1C ZINC001420341358 907110584 /nfs/dbraw/zinc/11/05/84/907110584.db2.gz CVFZOKUXRGKLMD-UHFFFAOYSA-N 2 2 295.387 -0.282 20 0 CBADLP CCN(C)C(=O)C[N@@H+](C)CCNC(=O)Cn1cc[nH+]c1C ZINC001420341358 907110597 /nfs/dbraw/zinc/11/05/97/907110597.db2.gz CVFZOKUXRGKLMD-UHFFFAOYSA-N 2 2 295.387 -0.282 20 0 CBADLP CCN(C)C(=O)C[NH2+]C[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001420347447 907115276 /nfs/dbraw/zinc/11/52/76/907115276.db2.gz SOXAWCMQCYZEIF-SNVBAGLBSA-N 2 2 281.360 -0.475 20 0 CBADLP C[N@H+](CCNC(=O)Cn1cc[nH+]c1)[C@@H]1CCCNC1=O ZINC001420363303 907121610 /nfs/dbraw/zinc/12/16/10/907121610.db2.gz PVIPMULBLPYXFL-LLVKDONJSA-N 2 2 279.344 -0.790 20 0 CBADLP C[N@@H+](CCNC(=O)Cn1cc[nH+]c1)[C@@H]1CCCNC1=O ZINC001420363303 907121624 /nfs/dbraw/zinc/12/16/24/907121624.db2.gz PVIPMULBLPYXFL-LLVKDONJSA-N 2 2 279.344 -0.790 20 0 CBADLP C[C@H](C[NH2+]CC(=O)N1CCCC1)NC(=O)Cn1cc[nH+]c1 ZINC001420387858 907131870 /nfs/dbraw/zinc/13/18/70/907131870.db2.gz PMRQZPUFAPKAJY-GFCCVEGCSA-N 2 2 293.371 -0.400 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[N@H+](C)[C@@H]1CCNC1=O ZINC001420603280 907230202 /nfs/dbraw/zinc/23/02/02/907230202.db2.gz CZWBUUKTRYHUKZ-CMPLNLGQSA-N 2 2 293.371 -0.483 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[N@@H+](C)[C@@H]1CCNC1=O ZINC001420603280 907230214 /nfs/dbraw/zinc/23/02/14/907230214.db2.gz CZWBUUKTRYHUKZ-CMPLNLGQSA-N 2 2 293.371 -0.483 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H](C[NH2+][C@@H]1CCNC1=O)C1CC1 ZINC001420794783 907302026 /nfs/dbraw/zinc/30/20/26/907302026.db2.gz SLASUPSLBHLTBA-MNOVXSKESA-N 2 2 291.355 -0.675 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H](C[NH2+][C@H]1CCNC1=O)C1CC1 ZINC001420794785 907303072 /nfs/dbraw/zinc/30/30/72/907303072.db2.gz SLASUPSLBHLTBA-QWRGUYRKSA-N 2 2 291.355 -0.675 20 0 CBADLP C[C@@H]([NH2+]C[C@@H](NC(=O)Cn1cc[nH+]c1)C1CC1)C(N)=O ZINC001420794677 907303836 /nfs/dbraw/zinc/30/38/36/907303836.db2.gz GKBHQIVRYZFTMR-MWLCHTKSSA-N 2 2 279.344 -0.759 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001420910319 907347379 /nfs/dbraw/zinc/34/73/79/907347379.db2.gz JNRNALCVNNOASF-NEPJUHHUSA-N 2 2 284.404 -0.348 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001420910319 907347397 /nfs/dbraw/zinc/34/73/97/907347397.db2.gz JNRNALCVNNOASF-NEPJUHHUSA-N 2 2 284.404 -0.348 20 0 CBADLP CNC(=O)[C@@H](C)[NH+]1CC[C@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001420910319 907347409 /nfs/dbraw/zinc/34/74/09/907347409.db2.gz JNRNALCVNNOASF-NEPJUHHUSA-N 2 2 284.404 -0.348 20 0 CBADLP CNC(=O)[C@@H](C)[NH+]1CC[C@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001420910319 907347426 /nfs/dbraw/zinc/34/74/26/907347426.db2.gz JNRNALCVNNOASF-NEPJUHHUSA-N 2 2 284.404 -0.348 20 0 CBADLP CNC(=O)[C@H](C)[N@H+]1CC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001420911138 907350906 /nfs/dbraw/zinc/35/09/06/907350906.db2.gz JNRNALCVNNOASF-RYUDHWBXSA-N 2 2 284.404 -0.348 20 0 CBADLP CNC(=O)[C@H](C)[NH+]1CC[C@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001420911138 907350918 /nfs/dbraw/zinc/35/09/18/907350918.db2.gz JNRNALCVNNOASF-RYUDHWBXSA-N 2 2 284.404 -0.348 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+]1CC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001420911138 907350890 /nfs/dbraw/zinc/35/08/90/907350890.db2.gz JNRNALCVNNOASF-RYUDHWBXSA-N 2 2 284.404 -0.348 20 0 CBADLP CNC(=O)[C@H](C)[NH+]1CC[C@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001420911138 907350932 /nfs/dbraw/zinc/35/09/32/907350932.db2.gz JNRNALCVNNOASF-RYUDHWBXSA-N 2 2 284.404 -0.348 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H](C[N@H+](C)CCO)C1 ZINC001420925369 907357547 /nfs/dbraw/zinc/35/75/47/907357547.db2.gz AMVYQGYBPMLXKC-LBPRGKRZSA-N 2 2 280.372 -0.265 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H](C[N@@H+](C)CCO)C1 ZINC001420925369 907357565 /nfs/dbraw/zinc/35/75/65/907357565.db2.gz AMVYQGYBPMLXKC-LBPRGKRZSA-N 2 2 280.372 -0.265 20 0 CBADLP NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001420990018 907384531 /nfs/dbraw/zinc/38/45/31/907384531.db2.gz JOBRAGVOHPKKHN-CYBMUJFWSA-N 2 2 296.415 -0.072 20 0 CBADLP NC(=O)C[N@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001420990018 907384550 /nfs/dbraw/zinc/38/45/50/907384550.db2.gz JOBRAGVOHPKKHN-CYBMUJFWSA-N 2 2 296.415 -0.072 20 0 CBADLP CN(C)C(=O)C[NH+]1CC(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001421157968 907445799 /nfs/dbraw/zinc/44/57/99/907445799.db2.gz XTRABIWIKPUCIM-UHFFFAOYSA-N 2 2 296.415 -0.536 20 0 CBADLP O=C(C[NH+]1CCCC1)NCC1C[NH+](CC(=O)N2CCC2)C1 ZINC001421185892 907456210 /nfs/dbraw/zinc/45/62/10/907456210.db2.gz JDZPQOFIDBXSDL-UHFFFAOYSA-N 2 2 294.399 -0.638 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2[C@@H]1CCNC1=O ZINC001421211133 907462019 /nfs/dbraw/zinc/46/20/19/907462019.db2.gz BYVHNGZHRWSXNQ-RWMBFGLXSA-N 2 2 294.399 -0.500 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2[C@@H]1CCNC1=O ZINC001421211133 907462033 /nfs/dbraw/zinc/46/20/33/907462033.db2.gz BYVHNGZHRWSXNQ-RWMBFGLXSA-N 2 2 294.399 -0.500 20 0 CBADLP CC(C)[NH+](C)CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H]1CCNC1=O ZINC001421211133 907462044 /nfs/dbraw/zinc/46/20/44/907462044.db2.gz BYVHNGZHRWSXNQ-RWMBFGLXSA-N 2 2 294.399 -0.500 20 0 CBADLP CC(C)[NH+](C)CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCNC1=O ZINC001421211133 907462055 /nfs/dbraw/zinc/46/20/55/907462055.db2.gz BYVHNGZHRWSXNQ-RWMBFGLXSA-N 2 2 294.399 -0.500 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)C ZINC001421220224 907466708 /nfs/dbraw/zinc/46/67/08/907466708.db2.gz UZWBKDNFELULEJ-SRVKXCTJSA-N 2 2 282.388 -0.513 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)C ZINC001421220224 907466717 /nfs/dbraw/zinc/46/67/17/907466717.db2.gz UZWBKDNFELULEJ-SRVKXCTJSA-N 2 2 282.388 -0.513 20 0 CBADLP C[C@H](O)C[NH2+]C1(CNC(=O)Cn2cc[nH+]c2)CCOCC1 ZINC001421323929 907495306 /nfs/dbraw/zinc/49/53/06/907495306.db2.gz YYXZBXYREVFAFI-LBPRGKRZSA-N 2 2 296.371 -0.481 20 0 CBADLP CC[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+][C@@H](C)C(N)=O ZINC001421400588 907525417 /nfs/dbraw/zinc/52/54/17/907525417.db2.gz FVQBYGGPPDLVKP-UWVGGRQHSA-N 2 2 281.360 -0.300 20 0 CBADLP CC[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH2+][C@@H](C)C(N)=O ZINC001421400588 907525433 /nfs/dbraw/zinc/52/54/33/907525433.db2.gz FVQBYGGPPDLVKP-UWVGGRQHSA-N 2 2 281.360 -0.300 20 0 CBADLP CC[C@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+][C@H](C)C(N)=O ZINC001421400585 907525591 /nfs/dbraw/zinc/52/55/91/907525591.db2.gz FVQBYGGPPDLVKP-NXEZZACHSA-N 2 2 281.360 -0.300 20 0 CBADLP CC[C@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH2+][C@H](C)C(N)=O ZINC001421400585 907525607 /nfs/dbraw/zinc/52/56/07/907525607.db2.gz FVQBYGGPPDLVKP-NXEZZACHSA-N 2 2 281.360 -0.300 20 0 CBADLP CC[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+][C@H](C)C(N)=O ZINC001421400594 907526475 /nfs/dbraw/zinc/52/64/75/907526475.db2.gz FVQBYGGPPDLVKP-ZJUUUORDSA-N 2 2 281.360 -0.300 20 0 CBADLP CC[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH2+][C@H](C)C(N)=O ZINC001421400594 907526494 /nfs/dbraw/zinc/52/64/94/907526494.db2.gz FVQBYGGPPDLVKP-ZJUUUORDSA-N 2 2 281.360 -0.300 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)C[NH2+]Cc1cnon1 ZINC001421676030 907607565 /nfs/dbraw/zinc/60/75/65/907607565.db2.gz KLQRMBLTYFFGGY-PWSUYJOCSA-N 2 2 297.359 -0.758 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C[NH2+]Cc1cnon1 ZINC001421676030 907607571 /nfs/dbraw/zinc/60/75/71/907607571.db2.gz KLQRMBLTYFFGGY-PWSUYJOCSA-N 2 2 297.359 -0.758 20 0 CBADLP CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001421752346 907636218 /nfs/dbraw/zinc/63/62/18/907636218.db2.gz WKKSTLYINXMOKG-SNVBAGLBSA-N 2 2 281.360 -0.570 20 0 CBADLP COCC[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001421806243 907646756 /nfs/dbraw/zinc/64/67/56/907646756.db2.gz CFGIWUZTLDECGO-UONOGXRCSA-N 2 2 299.415 -0.208 20 0 CBADLP COCC[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001421806243 907646768 /nfs/dbraw/zinc/64/67/68/907646768.db2.gz CFGIWUZTLDECGO-UONOGXRCSA-N 2 2 299.415 -0.208 20 0 CBADLP COCC[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001421806243 907646781 /nfs/dbraw/zinc/64/67/81/907646781.db2.gz CFGIWUZTLDECGO-UONOGXRCSA-N 2 2 299.415 -0.208 20 0 CBADLP COCC[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001421806243 907646800 /nfs/dbraw/zinc/64/68/00/907646800.db2.gz CFGIWUZTLDECGO-UONOGXRCSA-N 2 2 299.415 -0.208 20 0 CBADLP C[C@H](O)C[NH2+]CC1(NC(=O)Cc2c[nH]c[nH+]2)CCOCC1 ZINC001421998528 907701048 /nfs/dbraw/zinc/70/10/48/907701048.db2.gz HAHSGMXEDRSYAJ-NSHDSACASA-N 2 2 296.371 -0.412 20 0 CBADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001502205664 921345972 /nfs/dbraw/zinc/34/59/72/921345972.db2.gz VRIYJKKCPSDCLH-NEPJUHHUSA-N 2 2 293.371 -0.544 20 0 CBADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001502205664 921345986 /nfs/dbraw/zinc/34/59/86/921345986.db2.gz VRIYJKKCPSDCLH-NEPJUHHUSA-N 2 2 293.371 -0.544 20 0 CBADLP CC(C)[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@@H](C)C(N)=O ZINC001422141391 907724611 /nfs/dbraw/zinc/72/46/11/907724611.db2.gz WHNRSAHSZFPBIY-UWVGGRQHSA-N 2 2 281.360 -0.444 20 0 CBADLP CN(C)C(=O)C[N@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001422182021 907739373 /nfs/dbraw/zinc/73/93/73/907739373.db2.gz KGWXUSXYXMZZIW-GFCCVEGCSA-N 2 2 284.404 -0.441 20 0 CBADLP CN(C)C(=O)C[N@@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001422182021 907739385 /nfs/dbraw/zinc/73/93/85/907739385.db2.gz KGWXUSXYXMZZIW-GFCCVEGCSA-N 2 2 284.404 -0.441 20 0 CBADLP CN(C)C(=O)C[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001422182021 907739400 /nfs/dbraw/zinc/73/94/00/907739400.db2.gz KGWXUSXYXMZZIW-GFCCVEGCSA-N 2 2 284.404 -0.441 20 0 CBADLP CN(C)C(=O)C[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001422182021 907739412 /nfs/dbraw/zinc/73/94/12/907739412.db2.gz KGWXUSXYXMZZIW-GFCCVEGCSA-N 2 2 284.404 -0.441 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](CNS(C)(=O)=O)C1 ZINC001422217715 907753198 /nfs/dbraw/zinc/75/31/98/907753198.db2.gz ZCTUGPYEBHVVMY-NWDGAFQWSA-N 2 2 293.433 -0.830 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](CNS(C)(=O)=O)C1 ZINC001422217715 907753212 /nfs/dbraw/zinc/75/32/12/907753212.db2.gz ZCTUGPYEBHVVMY-NWDGAFQWSA-N 2 2 293.433 -0.830 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](CNS(C)(=O)=O)C1 ZINC001422217715 907753222 /nfs/dbraw/zinc/75/32/22/907753222.db2.gz ZCTUGPYEBHVVMY-NWDGAFQWSA-N 2 2 293.433 -0.830 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](CNS(C)(=O)=O)C1 ZINC001422217715 907753235 /nfs/dbraw/zinc/75/32/35/907753235.db2.gz ZCTUGPYEBHVVMY-NWDGAFQWSA-N 2 2 293.433 -0.830 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@H](O)C[NH2+]C[C@H]1CCCOC1 ZINC001422361545 907819892 /nfs/dbraw/zinc/81/98/92/907819892.db2.gz FVPNGRABOQCQLS-YPMHNXCESA-N 2 2 296.371 -0.555 20 0 CBADLP CCCNC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001422371213 907829645 /nfs/dbraw/zinc/82/96/45/907829645.db2.gz HOWNICXEKWKMNX-MNOVXSKESA-N 2 2 295.387 -0.039 20 0 CBADLP C[C@@H]([NH2+]CC[C@H](C)NC(=O)Cc1c[nH+]cn1C)C(N)=O ZINC001422438066 907858656 /nfs/dbraw/zinc/85/86/56/907858656.db2.gz KWEHLLNLUWKNPC-VHSXEESVSA-N 2 2 281.360 -0.679 20 0 CBADLP CC[C@@H]([NH2+]CCN(CC)C(=O)Cn1cc[nH+]c1)C(N)=O ZINC001422450350 907862196 /nfs/dbraw/zinc/86/21/96/907862196.db2.gz MEUIRTDZAYXNSF-LLVKDONJSA-N 2 2 281.360 -0.415 20 0 CBADLP C[C@H](C[NH2+][C@@H](C)C(N)=O)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001422517071 907903203 /nfs/dbraw/zinc/90/32/03/907903203.db2.gz BZDKHVJBMUJNGT-BDAKNGLRSA-N 2 2 297.359 -0.682 20 0 CBADLP C[NH+](C)CCCCC(=O)N[C@H]1COC2(C[NH+](CCO)C2)C1 ZINC001502470621 921362318 /nfs/dbraw/zinc/36/23/18/921362318.db2.gz NRDLLWLIWCCBNW-CYBMUJFWSA-N 2 2 299.415 -0.330 20 0 CBADLP C[C@@H](C[NH2+]CC(=O)NCC1CC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001422710286 907982300 /nfs/dbraw/zinc/98/23/00/907982300.db2.gz JFOWKGPVQQCKBL-JTQLQIEISA-N 2 2 293.371 -0.427 20 0 CBADLP CC[NH2+][C@]1(CO)CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001502603557 921374431 /nfs/dbraw/zinc/37/44/31/921374431.db2.gz JOGGDKTWNCFPRJ-CYBMUJFWSA-N 2 2 266.345 -0.154 20 0 CBADLP COC[C@@H](O)C[N@H+](C)C[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001422893494 908047968 /nfs/dbraw/zinc/04/79/68/908047968.db2.gz FXWBMDIKDXMQFT-MNOVXSKESA-N 2 2 284.360 -0.604 20 0 CBADLP COC[C@@H](O)C[N@@H+](C)C[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001422893494 908047985 /nfs/dbraw/zinc/04/79/85/908047985.db2.gz FXWBMDIKDXMQFT-MNOVXSKESA-N 2 2 284.360 -0.604 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]C[C@H](NC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001423029900 908082519 /nfs/dbraw/zinc/08/25/19/908082519.db2.gz XBJPETBDLPBOSX-SKDRFNHKSA-N 2 2 293.371 -0.429 20 0 CBADLP C[C@@H]([NH2+][C@@H](C)CN(C)C(=O)Cc1[nH]cc[nH+]1)C(=O)N(C)C ZINC001423128303 908114617 /nfs/dbraw/zinc/11/46/17/908114617.db2.gz BJWSOGQRIMLEJO-WDEREUQCSA-N 2 2 295.387 -0.135 20 0 CBADLP Cc1conc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001423189910 908141552 /nfs/dbraw/zinc/14/15/52/908141552.db2.gz MIKFYOXFTCEAJV-AAEUAGOBSA-N 2 2 296.371 -0.356 20 0 CBADLP Cc1conc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001423189910 908141558 /nfs/dbraw/zinc/14/15/58/908141558.db2.gz MIKFYOXFTCEAJV-AAEUAGOBSA-N 2 2 296.371 -0.356 20 0 CBADLP CCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001423224076 908164892 /nfs/dbraw/zinc/16/48/92/908164892.db2.gz BEWKEQUQEWVNRI-VXGBXAGGSA-N 2 2 280.372 -0.078 20 0 CBADLP CC[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc1ccn(C)n1)[NH+](C)C ZINC001423290376 908192387 /nfs/dbraw/zinc/19/23/87/908192387.db2.gz FAQOWRDZIKDQNQ-QWHCGFSZSA-N 2 2 297.403 -0.673 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H](CO)[NH2+]C[C@H]1CCCOC1 ZINC001423310564 908198442 /nfs/dbraw/zinc/19/84/42/908198442.db2.gz WTSHZCHXVKNOGS-NEPJUHHUSA-N 2 2 296.371 -0.555 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H](CO)[NH2+]C[C@@H]1CCCOC1 ZINC001423310572 908198918 /nfs/dbraw/zinc/19/89/18/908198918.db2.gz WTSHZCHXVKNOGS-RYUDHWBXSA-N 2 2 296.371 -0.555 20 0 CBADLP C[C@@H](O)C[NH2+]C1(CNC(=O)CCc2c[nH+]cn2C)CC1 ZINC001423311068 908200539 /nfs/dbraw/zinc/20/05/39/908200539.db2.gz DQVBSMIZDWNFKX-LLVKDONJSA-N 2 2 280.372 -0.028 20 0 CBADLP CNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCn2cc[nH+]c2)C1 ZINC001423334830 908205254 /nfs/dbraw/zinc/20/52/54/908205254.db2.gz RTXKBSWCIBLZCT-VXGBXAGGSA-N 2 2 293.371 -0.402 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@@]1(C)CC[N@H+](CCCO)C1 ZINC001423581582 908284206 /nfs/dbraw/zinc/28/42/06/908284206.db2.gz HIRNENMQELRNSS-AWEZNQCLSA-N 2 2 280.372 -0.074 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@@]1(C)CC[N@@H+](CCCO)C1 ZINC001423581582 908284217 /nfs/dbraw/zinc/28/42/17/908284217.db2.gz HIRNENMQELRNSS-AWEZNQCLSA-N 2 2 280.372 -0.074 20 0 CBADLP C[NH+](C)CC1(C(=O)N[C@@]2(C)CC[N@H+](CC(N)=O)C2)CC1 ZINC001423579323 908287512 /nfs/dbraw/zinc/28/75/12/908287512.db2.gz UBQRPKCXVZNXSV-ZDUSSCGKSA-N 2 2 282.388 -0.606 20 0 CBADLP C[NH+](C)CC1(C(=O)N[C@@]2(C)CC[N@@H+](CC(N)=O)C2)CC1 ZINC001423579323 908287528 /nfs/dbraw/zinc/28/75/28/908287528.db2.gz UBQRPKCXVZNXSV-ZDUSSCGKSA-N 2 2 282.388 -0.606 20 0 CBADLP CO[C@H](C)C[NH+]1CC(O)(CNC(=O)CC[NH+](C)C)C1 ZINC001423864734 908357190 /nfs/dbraw/zinc/35/71/90/908357190.db2.gz DFUNYXABPMVYIT-LLVKDONJSA-N 2 2 273.377 -0.864 20 0 CBADLP CC[C@@H](C[NH+]1CC(O)(CNC(=O)CC[NH+](C)C)C1)OC ZINC001423868866 908359838 /nfs/dbraw/zinc/35/98/38/908359838.db2.gz UBPHZVKYERDJKR-LBPRGKRZSA-N 2 2 287.404 -0.474 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H](C)[C@H](C[NH2+]CC(N)=O)C1 ZINC001423948188 908377973 /nfs/dbraw/zinc/37/79/73/908377973.db2.gz MKIASGYBDCAKJM-GXSJLCMTSA-N 2 2 293.371 -0.570 20 0 CBADLP COC[C@H](C)[NH2+]C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001424235150 908430042 /nfs/dbraw/zinc/43/00/42/908430042.db2.gz GDUHCDBZZKWEIQ-RYUDHWBXSA-N 2 2 296.371 -0.196 20 0 CBADLP COC[C@@H](C)[NH2+]C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001424235144 908430648 /nfs/dbraw/zinc/43/06/48/908430648.db2.gz GDUHCDBZZKWEIQ-NEPJUHHUSA-N 2 2 296.371 -0.196 20 0 CBADLP CC[C@H](C(=O)N[C@H]1COC2(C[NH+](CCO)C2)C1)[NH+](C)C ZINC001424371988 908451453 /nfs/dbraw/zinc/45/14/53/908451453.db2.gz ZVJPDBAZHBOTJY-VXGBXAGGSA-N 2 2 285.388 -0.722 20 0 CBADLP CCNC(=O)C[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001424478857 908464384 /nfs/dbraw/zinc/46/43/84/908464384.db2.gz GBDUWNPXAKCQLY-NEPJUHHUSA-N 2 2 293.371 -0.544 20 0 CBADLP CC1([NH2+]CC(N)=O)CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001424495860 908466220 /nfs/dbraw/zinc/46/62/20/908466220.db2.gz UGXHSUHPWMOOOJ-UHFFFAOYSA-N 2 2 279.344 -0.592 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N1CCC[C@@H]1C[N@@H+](C)CC(N)=O ZINC001424701781 908491283 /nfs/dbraw/zinc/49/12/83/908491283.db2.gz JQAGOXJFRIVTHF-GFCCVEGCSA-N 2 2 293.371 -0.400 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N1CCC[C@@H]1C[N@H+](C)CC(N)=O ZINC001424701781 908491290 /nfs/dbraw/zinc/49/12/90/908491290.db2.gz JQAGOXJFRIVTHF-GFCCVEGCSA-N 2 2 293.371 -0.400 20 0 CBADLP NC(=O)C[NH2+]CC1CC(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001424727874 908493366 /nfs/dbraw/zinc/49/33/66/908493366.db2.gz UDAFZGOJDMJPLP-JPPWEJMLSA-N 2 2 291.355 -0.517 20 0 CBADLP NC(=O)C[NH2+]CC1CC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001424727874 908493381 /nfs/dbraw/zinc/49/33/81/908493381.db2.gz UDAFZGOJDMJPLP-JPPWEJMLSA-N 2 2 291.355 -0.517 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N(C)CC(C)(C)C[NH2+]CC(N)=O ZINC001424891851 908522286 /nfs/dbraw/zinc/52/22/86/908522286.db2.gz UPORRZPDODJZMC-UHFFFAOYSA-N 2 2 295.387 -0.180 20 0 CBADLP C[C@H](C(N)=O)[N@@H+](C)[C@@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001425051351 908561667 /nfs/dbraw/zinc/56/16/67/908561667.db2.gz DMWPXJQUUKKTAW-VHSXEESVSA-N 2 2 281.360 -0.727 20 0 CBADLP C[C@H](C(N)=O)[N@H+](C)[C@@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001425051351 908561676 /nfs/dbraw/zinc/56/16/76/908561676.db2.gz DMWPXJQUUKKTAW-VHSXEESVSA-N 2 2 281.360 -0.727 20 0 CBADLP CNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001425074786 908570333 /nfs/dbraw/zinc/57/03/33/908570333.db2.gz OWRABNZFJSIMAQ-JTQLQIEISA-N 2 2 281.360 -0.626 20 0 CBADLP CNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001425074786 908570344 /nfs/dbraw/zinc/57/03/44/908570344.db2.gz OWRABNZFJSIMAQ-JTQLQIEISA-N 2 2 281.360 -0.626 20 0 CBADLP C[N@@H+]1CC[C@@H](CC(=O)NC2(CCO)C[NH+](CCCO)C2)C1 ZINC001425131097 908579621 /nfs/dbraw/zinc/57/96/21/908579621.db2.gz CRSKQCHAJJSOAK-ZDUSSCGKSA-N 2 2 299.415 -0.736 20 0 CBADLP C[N@H+]1CC[C@@H](CC(=O)NC2(CCO)C[NH+](CCCO)C2)C1 ZINC001425131097 908579633 /nfs/dbraw/zinc/57/96/33/908579633.db2.gz CRSKQCHAJJSOAK-ZDUSSCGKSA-N 2 2 299.415 -0.736 20 0 CBADLP CCN(C)C(=O)C[NH2+][C@H](C)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001425634653 908686310 /nfs/dbraw/zinc/68/63/10/908686310.db2.gz KINFKYANKZCFGV-LLVKDONJSA-N 2 2 295.387 -0.133 20 0 CBADLP C[C@H](CN(C)C(=O)Cc1[nH]cc[nH+]1)[NH2+][C@@H]1CCCNC1=O ZINC001425654801 908687928 /nfs/dbraw/zinc/68/79/28/908687928.db2.gz AKEWFUTVIVSTGU-GHMZBOCLSA-N 2 2 293.371 -0.333 20 0 CBADLP O=C(CCn1cc[nH+]c1)NC[C@H](CO)[NH2+]C[C@@H]1CCOC1 ZINC001425773891 908736738 /nfs/dbraw/zinc/73/67/38/908736738.db2.gz KCDUKJJZXBHDDL-QWHCGFSZSA-N 2 2 296.371 -0.624 20 0 CBADLP CNC(=O)C[NH2+]CC1CC(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001505530221 921436190 /nfs/dbraw/zinc/43/61/90/921436190.db2.gz XFXFOUFLEVHWMQ-UHFFFAOYSA-N 2 2 293.371 -0.807 20 0 CBADLP CN(C[C@@H](O)C[NH2+]CC1CC1)C(=O)Cc1c[nH+]cn1C ZINC001426032219 908809320 /nfs/dbraw/zinc/80/93/20/908809320.db2.gz OOKMQWOMOMFMLZ-ZDUSSCGKSA-N 2 2 280.372 -0.219 20 0 CBADLP CO[C@H](C)C[NH2+]C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001426061277 908814940 /nfs/dbraw/zinc/81/49/40/908814940.db2.gz WKXINVWUQYZMBI-NEPJUHHUSA-N 2 2 284.360 -0.673 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001428663269 909154590 /nfs/dbraw/zinc/15/45/90/909154590.db2.gz YXKKZZLWDZFYJO-LLVKDONJSA-N 2 2 295.387 -0.087 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001428663269 909154598 /nfs/dbraw/zinc/15/45/98/909154598.db2.gz YXKKZZLWDZFYJO-LLVKDONJSA-N 2 2 295.387 -0.087 20 0 CBADLP CC[N@H+](C)CCC(=O)NC[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001428814731 909170602 /nfs/dbraw/zinc/17/06/02/909170602.db2.gz RGXIBTKNAWBAQD-GFCCVEGCSA-N 2 2 295.387 -0.154 20 0 CBADLP CC[N@@H+](C)CCC(=O)NC[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001428814731 909170614 /nfs/dbraw/zinc/17/06/14/909170614.db2.gz RGXIBTKNAWBAQD-GFCCVEGCSA-N 2 2 295.387 -0.154 20 0 CBADLP CC[N@H+](C)CCC(=O)NC1CN(C(=O)Cn2cc[nH+]c2)C1 ZINC001430300319 909325592 /nfs/dbraw/zinc/32/55/92/909325592.db2.gz MURYFQNYVUTULL-UHFFFAOYSA-N 2 2 293.371 -0.448 20 0 CBADLP CC[N@@H+](C)CCC(=O)NC1CN(C(=O)Cn2cc[nH+]c2)C1 ZINC001430300319 909325607 /nfs/dbraw/zinc/32/56/07/909325607.db2.gz MURYFQNYVUTULL-UHFFFAOYSA-N 2 2 293.371 -0.448 20 0 CBADLP C[C@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)[N@H+](C)CCO ZINC001505947977 921510318 /nfs/dbraw/zinc/51/03/18/921510318.db2.gz FNLCDXGMTYCOKP-NEPJUHHUSA-N 2 2 280.372 -0.126 20 0 CBADLP C[C@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)[N@@H+](C)CCO ZINC001505947977 921510331 /nfs/dbraw/zinc/51/03/31/921510331.db2.gz FNLCDXGMTYCOKP-NEPJUHHUSA-N 2 2 280.372 -0.126 20 0 CBADLP C[C@@H](CNC(=O)CC[NH+](C)C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001432996828 909671530 /nfs/dbraw/zinc/67/15/30/909671530.db2.gz XWLGPMCWQXYWEP-NSHDSACASA-N 2 2 295.387 -0.228 20 0 CBADLP C[C@H](CNC(=O)CCn1cc[nH+]c1)[N@H+](C)CCO ZINC001505973929 921514386 /nfs/dbraw/zinc/51/43/86/921514386.db2.gz DOUOHYLNQQMRPT-LLVKDONJSA-N 2 2 254.334 -0.298 20 0 CBADLP C[C@H](CNC(=O)CCn1cc[nH+]c1)[N@@H+](C)CCO ZINC001505973929 921514396 /nfs/dbraw/zinc/51/43/96/921514396.db2.gz DOUOHYLNQQMRPT-LLVKDONJSA-N 2 2 254.334 -0.298 20 0 CBADLP O=C(C[NH+]1CCCC1)NC1CC[NH+]([C@@H]2CCOC2=O)CC1 ZINC001433831505 909872159 /nfs/dbraw/zinc/87/21/59/909872159.db2.gz FYALGOXTCCJWHM-CYBMUJFWSA-N 2 2 295.383 -0.022 20 0 CBADLP C[NH+](C)CCC(=O)NCC1(NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001433987006 909943106 /nfs/dbraw/zinc/94/31/06/909943106.db2.gz RABVNOLISZTTBD-UHFFFAOYSA-N 2 2 293.371 -0.331 20 0 CBADLP C[NH+](C)CCC(=O)NC1(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001434017580 909955207 /nfs/dbraw/zinc/95/52/07/909955207.db2.gz VPZLUCYNDDNFRT-UHFFFAOYSA-N 2 2 293.371 -0.331 20 0 CBADLP C[C@@H](O)C[NH+]1CC(CCO)(NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001506119011 921551586 /nfs/dbraw/zinc/55/15/86/921551586.db2.gz GFRXUMYEZGPXGI-CHWSQXEVSA-N 2 2 299.415 -0.738 20 0 CBADLP C[C@@H](O)C[NH+]1CC(CCO)(NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001506119011 921551592 /nfs/dbraw/zinc/55/15/92/921551592.db2.gz GFRXUMYEZGPXGI-CHWSQXEVSA-N 2 2 299.415 -0.738 20 0 CBADLP CO[C@@H](C)C[NH+]1CC(CCO)(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001506141539 921553712 /nfs/dbraw/zinc/55/37/12/921553712.db2.gz YFKYFHAJQJKYDN-STQMWFEESA-N 2 2 299.415 -0.474 20 0 CBADLP CO[C@@H](C)C[NH+]1CC(CCO)(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001506141539 921553725 /nfs/dbraw/zinc/55/37/25/921553725.db2.gz YFKYFHAJQJKYDN-STQMWFEESA-N 2 2 299.415 -0.474 20 0 CBADLP CC[C@@H](C[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1)OC ZINC001434854804 910393537 /nfs/dbraw/zinc/39/35/37/910393537.db2.gz VFASXYUJBUVONH-KBPBESRZSA-N 2 2 299.415 -0.114 20 0 CBADLP CC[C@@H](C[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1)OC ZINC001434854804 910393551 /nfs/dbraw/zinc/39/35/51/910393551.db2.gz VFASXYUJBUVONH-KBPBESRZSA-N 2 2 299.415 -0.114 20 0 CBADLP CN(C[C@H]1CC[N@@H+]1CC(=O)NC1CC1)C(=O)CC[NH+](C)C ZINC001436314896 910423221 /nfs/dbraw/zinc/42/32/21/910423221.db2.gz FXSCUQNLTFEHEB-CYBMUJFWSA-N 2 2 296.415 -0.251 20 0 CBADLP CN(C[C@H]1CC[N@H+]1CC(=O)NC1CC1)C(=O)CC[NH+](C)C ZINC001436314896 910423233 /nfs/dbraw/zinc/42/32/33/910423233.db2.gz FXSCUQNLTFEHEB-CYBMUJFWSA-N 2 2 296.415 -0.251 20 0 CBADLP C[N@@H+](CC(N)=O)C[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001436847819 910494395 /nfs/dbraw/zinc/49/43/95/910494395.db2.gz XLDYRGBEJDKQQD-LLVKDONJSA-N 2 2 293.371 -0.392 20 0 CBADLP C[N@H+](CC(N)=O)C[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001436847819 910494404 /nfs/dbraw/zinc/49/44/04/910494404.db2.gz XLDYRGBEJDKQQD-LLVKDONJSA-N 2 2 293.371 -0.392 20 0 CBADLP Cn1nnc(C[NH2+][C@H](CNC(=O)CC[NH+](C)C)C2CC2)n1 ZINC001436817645 910494424 /nfs/dbraw/zinc/49/44/24/910494424.db2.gz JJURRSUOTUXSEU-LLVKDONJSA-N 2 2 295.391 -0.854 20 0 CBADLP CC(C)NC(=O)C[NH2+][C@@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001437143130 910565130 /nfs/dbraw/zinc/56/51/30/910565130.db2.gz CLFADDYJWKYUDK-NSHDSACASA-N 2 2 295.387 -0.039 20 0 CBADLP C[C@@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]CC(=O)N1CCC1 ZINC001437193336 910584379 /nfs/dbraw/zinc/58/43/79/910584379.db2.gz VFGXIVJSVMEMGN-LBPRGKRZSA-N 2 2 293.371 -0.400 20 0 CBADLP CCN1CC[C@H]([NH2+][C@@H](C)CNC(=O)Cc2c[nH]c[nH+]2)C1=O ZINC001437208269 910586491 /nfs/dbraw/zinc/58/64/91/910586491.db2.gz XVLQSIZYFDAOMX-JQWIXIFHSA-N 2 2 293.371 -0.333 20 0 CBADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]Cc1cnnn1C ZINC001437233020 910598188 /nfs/dbraw/zinc/59/81/88/910598188.db2.gz CGXCKBNRFYUHDE-SNVBAGLBSA-N 2 2 291.359 -0.614 20 0 CBADLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+][C@H]1CCCNC1=O ZINC001437235360 910598552 /nfs/dbraw/zinc/59/85/52/910598552.db2.gz KHOGQFAQYRQTTQ-JQWIXIFHSA-N 2 2 293.371 -0.665 20 0 CBADLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+][C@@H]1CCCNC1=O ZINC001437235358 910598718 /nfs/dbraw/zinc/59/87/18/910598718.db2.gz KHOGQFAQYRQTTQ-CMPLNLGQSA-N 2 2 293.371 -0.665 20 0 CBADLP C[C@@H]([NH2+]C[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1)C(N)=O ZINC001437316933 910613897 /nfs/dbraw/zinc/61/38/97/910613897.db2.gz YSUIWCNKQCSIJD-MNOVXSKESA-N 2 2 293.371 -0.346 20 0 CBADLP C[C@@H]([NH2+]C[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1)C(N)=O ZINC001437316933 910613910 /nfs/dbraw/zinc/61/39/10/910613910.db2.gz YSUIWCNKQCSIJD-MNOVXSKESA-N 2 2 293.371 -0.346 20 0 CBADLP CN(C)C(=O)C[N@H+](C)CCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001437486412 910661567 /nfs/dbraw/zinc/66/15/67/910661567.db2.gz ZFENGYHQALMSCI-CYBMUJFWSA-N 2 2 298.431 -0.003 20 0 CBADLP CN(C)C(=O)C[N@@H+](C)CCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001437486412 910661572 /nfs/dbraw/zinc/66/15/72/910661572.db2.gz ZFENGYHQALMSCI-CYBMUJFWSA-N 2 2 298.431 -0.003 20 0 CBADLP CN(C)C(=O)C[NH+](C)CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001437486412 910661583 /nfs/dbraw/zinc/66/15/83/910661583.db2.gz ZFENGYHQALMSCI-CYBMUJFWSA-N 2 2 298.431 -0.003 20 0 CBADLP CN(C)C(=O)C[NH+](C)CCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001437486412 910661586 /nfs/dbraw/zinc/66/15/86/910661586.db2.gz ZFENGYHQALMSCI-CYBMUJFWSA-N 2 2 298.431 -0.003 20 0 CBADLP CC[N@H+](C)CCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001437501201 910667591 /nfs/dbraw/zinc/66/75/91/910667591.db2.gz YUQWYXNRZQTZBB-KGLIPLIRSA-N 2 2 299.415 -0.066 20 0 CBADLP CC[N@@H+](C)CCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001437501201 910667599 /nfs/dbraw/zinc/66/75/99/910667599.db2.gz YUQWYXNRZQTZBB-KGLIPLIRSA-N 2 2 299.415 -0.066 20 0 CBADLP Cn1cc(CC[N@H+](C)CCNC(=O)Cc2[nH]cc[nH+]2)cn1 ZINC001437539689 910678999 /nfs/dbraw/zinc/67/89/99/910678999.db2.gz XMAGLOANWHHCGO-UHFFFAOYSA-N 2 2 290.371 -0.024 20 0 CBADLP Cn1cc(CC[N@@H+](C)CCNC(=O)Cc2[nH]cc[nH+]2)cn1 ZINC001437539689 910679006 /nfs/dbraw/zinc/67/90/06/910679006.db2.gz XMAGLOANWHHCGO-UHFFFAOYSA-N 2 2 290.371 -0.024 20 0 CBADLP CC[N@H+](CCNC(=O)Cn1cc[nH+]c1C)CC(=O)N(C)C ZINC001437647034 910710603 /nfs/dbraw/zinc/71/06/03/910710603.db2.gz GWGRHQYOHAGCLH-UHFFFAOYSA-N 2 2 295.387 -0.282 20 0 CBADLP CC[N@@H+](CCNC(=O)Cn1cc[nH+]c1C)CC(=O)N(C)C ZINC001437647034 910710622 /nfs/dbraw/zinc/71/06/22/910710622.db2.gz GWGRHQYOHAGCLH-UHFFFAOYSA-N 2 2 295.387 -0.282 20 0 CBADLP C[C@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C1C[NH+](CC(N)=O)C1 ZINC001506655541 921600982 /nfs/dbraw/zinc/60/09/82/921600982.db2.gz NRTRVKLDHRBBLJ-QWRGUYRKSA-N 2 2 282.388 -0.750 20 0 CBADLP C[C@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C1C[NH+](CC(N)=O)C1 ZINC001506655541 921600993 /nfs/dbraw/zinc/60/09/93/921600993.db2.gz NRTRVKLDHRBBLJ-QWRGUYRKSA-N 2 2 282.388 -0.750 20 0 CBADLP C[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C1C[NH+](CC(N)=O)C1 ZINC001506655539 921601835 /nfs/dbraw/zinc/60/18/35/921601835.db2.gz NRTRVKLDHRBBLJ-MNOVXSKESA-N 2 2 282.388 -0.750 20 0 CBADLP C[C@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C1C[NH+](CC(N)=O)C1 ZINC001506655539 921601839 /nfs/dbraw/zinc/60/18/39/921601839.db2.gz NRTRVKLDHRBBLJ-MNOVXSKESA-N 2 2 282.388 -0.750 20 0 CBADLP CC[C@@H](C(=O)N[C@H]1CCC[N@@H+]([C@@H](C)C(N)=O)C1)[NH+](C)C ZINC001438029642 910795668 /nfs/dbraw/zinc/79/56/68/910795668.db2.gz VJNJAUIYANYVJL-SRVKXCTJSA-N 2 2 284.404 -0.219 20 0 CBADLP CC[C@@H](C(=O)N[C@H]1CCC[N@H+]([C@@H](C)C(N)=O)C1)[NH+](C)C ZINC001438029642 910795681 /nfs/dbraw/zinc/79/56/81/910795681.db2.gz VJNJAUIYANYVJL-SRVKXCTJSA-N 2 2 284.404 -0.219 20 0 CBADLP C[NH+](C)C1(C(=O)N[C@H]2C[N@H+](CC(N)=O)CC2(C)C)CCC1 ZINC001506740596 921605807 /nfs/dbraw/zinc/60/58/07/921605807.db2.gz AKAMYMWAERVKPC-NSHDSACASA-N 2 2 296.415 -0.217 20 0 CBADLP C[NH+](C)C1(C(=O)N[C@H]2C[N@@H+](CC(N)=O)CC2(C)C)CCC1 ZINC001506740596 921605818 /nfs/dbraw/zinc/60/58/18/921605818.db2.gz AKAMYMWAERVKPC-NSHDSACASA-N 2 2 296.415 -0.217 20 0 CBADLP CC(C)(C(=O)NCC1C[NH+](CC(N)=O)C1)[NH+]1CCCCC1 ZINC001438125356 910827749 /nfs/dbraw/zinc/82/77/49/910827749.db2.gz SVZKUQBFKYYRSO-UHFFFAOYSA-N 2 2 296.415 -0.216 20 0 CBADLP CC[C@@H](C(=O)NCC1C[NH+]([C@@H]2CCNC2=O)C1)[NH+](C)C ZINC001438146170 910833488 /nfs/dbraw/zinc/83/34/88/910833488.db2.gz UUXAGGFFCWMJMC-NWDGAFQWSA-N 2 2 282.388 -0.737 20 0 CBADLP CNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001438655919 910946594 /nfs/dbraw/zinc/94/65/94/910946594.db2.gz DHXZTFDFGOPOAV-JTQLQIEISA-N 2 2 281.360 -0.475 20 0 CBADLP CNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001438655919 910946611 /nfs/dbraw/zinc/94/66/11/910946611.db2.gz DHXZTFDFGOPOAV-JTQLQIEISA-N 2 2 281.360 -0.475 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@@H](C)C[NH2+]CC(N)=O ZINC001438686016 910954385 /nfs/dbraw/zinc/95/43/85/910954385.db2.gz GBWQAOJJLVFKJF-ZJUUUORDSA-N 2 2 281.360 -0.490 20 0 CBADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@@H](C)C[NH2+]CC(N)=O ZINC001438686016 910954394 /nfs/dbraw/zinc/95/43/94/910954394.db2.gz GBWQAOJJLVFKJF-ZJUUUORDSA-N 2 2 281.360 -0.490 20 0 CBADLP CC(C)NC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001438698256 910955423 /nfs/dbraw/zinc/95/54/23/910955423.db2.gz GZJKVKOMVPFAMI-LLVKDONJSA-N 2 2 295.387 -0.087 20 0 CBADLP C[C@@H]([NH2+]CCO)[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001506860732 921629188 /nfs/dbraw/zinc/62/91/88/921629188.db2.gz YHBHOWZKJXBVRG-NEPJUHHUSA-N 2 2 282.344 -0.919 20 0 CBADLP C[C@@H]([NH2+]CCO)[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001506860742 921630221 /nfs/dbraw/zinc/63/02/21/921630221.db2.gz YHBHOWZKJXBVRG-VXGBXAGGSA-N 2 2 282.344 -0.919 20 0 CBADLP CC[C@@H](C)NC(=O)C[NH2+]C[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001439184119 911129728 /nfs/dbraw/zinc/12/97/28/911129728.db2.gz IBGFIHRHCXIUFS-VXGBXAGGSA-N 2 2 295.387 -0.108 20 0 CBADLP C[C@@H]([NH2+]C[C@H](NC(=O)Cc1[nH]cc[nH+]1)C1CC1)C(N)=O ZINC001439490861 911223217 /nfs/dbraw/zinc/22/32/17/911223217.db2.gz XWHOPZJVADLNFU-SCZZXKLOSA-N 2 2 279.344 -0.690 20 0 CBADLP CC[C@H](C(=O)NC[C@H]1CC[N@@H+]1CCn1cncn1)[NH+](C)C ZINC001439532003 911233624 /nfs/dbraw/zinc/23/36/24/911233624.db2.gz DNHANNOOQDTVRO-CHWSQXEVSA-N 2 2 294.403 -0.191 20 0 CBADLP CC[C@H](C(=O)NC[C@H]1CC[N@H+]1CCn1cncn1)[NH+](C)C ZINC001439532003 911233640 /nfs/dbraw/zinc/23/36/40/911233640.db2.gz DNHANNOOQDTVRO-CHWSQXEVSA-N 2 2 294.403 -0.191 20 0 CBADLP C[C@@H](CCC[NH2+]CC(=O)N(C)C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001506940234 921646796 /nfs/dbraw/zinc/64/67/96/921646796.db2.gz DMONOPGHTQDTKL-NSHDSACASA-N 2 2 295.387 -0.085 20 0 CBADLP CC[N@H+](C)CCC(=O)NCC1([NH2+]Cc2ncnn2C)CC1 ZINC001439660955 911271144 /nfs/dbraw/zinc/27/11/44/911271144.db2.gz LKZIMNLVCXETGV-UHFFFAOYSA-N 2 2 294.403 -0.105 20 0 CBADLP CC[N@@H+](C)CCC(=O)NCC1([NH2+]Cc2ncnn2C)CC1 ZINC001439660955 911271164 /nfs/dbraw/zinc/27/11/64/911271164.db2.gz LKZIMNLVCXETGV-UHFFFAOYSA-N 2 2 294.403 -0.105 20 0 CBADLP C[C@H](O)C[NH+]1CC(N(C)C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001439754256 911284709 /nfs/dbraw/zinc/28/47/09/911284709.db2.gz DEHCXDJAPVHPTD-STQMWFEESA-N 2 2 299.415 -0.522 20 0 CBADLP CCC[N@H+](C)CC(=O)N[C@@]1(C)CC[NH+](CC(N)=O)C1 ZINC001439873045 911306508 /nfs/dbraw/zinc/30/65/08/911306508.db2.gz WZGPFYAINGBLEL-ZDUSSCGKSA-N 2 2 270.377 -0.606 20 0 CBADLP CCC[N@@H+](C)CC(=O)N[C@@]1(C)CC[NH+](CC(N)=O)C1 ZINC001439873045 911306525 /nfs/dbraw/zinc/30/65/25/911306525.db2.gz WZGPFYAINGBLEL-ZDUSSCGKSA-N 2 2 270.377 -0.606 20 0 CBADLP CCC[NH+](C)CC(=O)N[C@@]1(C)CC[N@H+](CC(N)=O)C1 ZINC001439873045 911306543 /nfs/dbraw/zinc/30/65/43/911306543.db2.gz WZGPFYAINGBLEL-ZDUSSCGKSA-N 2 2 270.377 -0.606 20 0 CBADLP CCC[NH+](C)CC(=O)N[C@@]1(C)CC[N@@H+](CC(N)=O)C1 ZINC001439873045 911306559 /nfs/dbraw/zinc/30/65/59/911306559.db2.gz WZGPFYAINGBLEL-ZDUSSCGKSA-N 2 2 270.377 -0.606 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@]1(CO)CCC[NH+](CCO)C1 ZINC001440165282 911394632 /nfs/dbraw/zinc/39/46/32/911394632.db2.gz RZIIWLDDNHKEJN-JSGCOSHPSA-N 2 2 285.388 -0.984 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@]1(CO)CCC[NH+](CCO)C1 ZINC001440165282 911394649 /nfs/dbraw/zinc/39/46/49/911394649.db2.gz RZIIWLDDNHKEJN-JSGCOSHPSA-N 2 2 285.388 -0.984 20 0 CBADLP C[NH+]1CCC[C@H]1C(=O)N[C@@]1(CO)CCC[N@H+](CCO)C1 ZINC001440165282 911394665 /nfs/dbraw/zinc/39/46/65/911394665.db2.gz RZIIWLDDNHKEJN-JSGCOSHPSA-N 2 2 285.388 -0.984 20 0 CBADLP C[NH+]1CCC[C@H]1C(=O)N[C@@]1(CO)CCC[N@@H+](CCO)C1 ZINC001440165282 911394681 /nfs/dbraw/zinc/39/46/81/911394681.db2.gz RZIIWLDDNHKEJN-JSGCOSHPSA-N 2 2 285.388 -0.984 20 0 CBADLP CCN(C)C(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)CC[NH+](C)C ZINC001440244079 911416276 /nfs/dbraw/zinc/41/62/76/911416276.db2.gz OUNHPZJFUZOLIO-ZDUSSCGKSA-N 2 2 298.431 -0.051 20 0 CBADLP CCN(C)C(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)CC[NH+](C)C ZINC001440244079 911416283 /nfs/dbraw/zinc/41/62/83/911416283.db2.gz OUNHPZJFUZOLIO-ZDUSSCGKSA-N 2 2 298.431 -0.051 20 0 CBADLP C[C@@H](O)C[NH+]1CCC(CO)(NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001440700556 911493414 /nfs/dbraw/zinc/49/34/14/911493414.db2.gz LQMXZJQBRDFLGL-LLVKDONJSA-N 2 2 296.371 -0.724 20 0 CBADLP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@@H](C)[NH2+]Cc1cnnn1C ZINC001440845223 911528720 /nfs/dbraw/zinc/52/87/20/911528720.db2.gz CDYVTVWPNNWORA-GHMZBOCLSA-N 2 2 291.359 -0.305 20 0 CBADLP C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)[C@@H](C)[NH2+]Cc1cnnn1C ZINC001440856446 911531856 /nfs/dbraw/zinc/53/18/56/911531856.db2.gz ULTWKDFUPXAICS-NXEZZACHSA-N 2 2 291.359 -0.236 20 0 CBADLP C[C@@H](CN(C)C(=O)CCc1c[nH]c[nH+]1)[NH2+][C@@H](C)C(N)=O ZINC001507083558 921671604 /nfs/dbraw/zinc/67/16/04/921671604.db2.gz UMIVBJZPWPTJMN-UWVGGRQHSA-N 2 2 281.360 -0.347 20 0 CBADLP C[C@@H](CN(C)C(=O)CCc1c[nH+]c[nH]1)[NH2+][C@@H](C)C(N)=O ZINC001507083558 921671609 /nfs/dbraw/zinc/67/16/09/921671609.db2.gz UMIVBJZPWPTJMN-UWVGGRQHSA-N 2 2 281.360 -0.347 20 0 CBADLP C[C@H](CN(C)C(=O)CCc1[nH+]ccn1C)[NH2+]CC(N)=O ZINC001507109298 921679532 /nfs/dbraw/zinc/67/95/32/921679532.db2.gz XGTAPSYMHRZMTD-SNVBAGLBSA-N 2 2 281.360 -0.726 20 0 CBADLP C[C@@H]([NH2+]CCO)[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001441336228 911644955 /nfs/dbraw/zinc/64/49/55/911644955.db2.gz SNNQHVLMTZNLRH-GHMZBOCLSA-N 2 2 282.344 -0.850 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001441321287 911645216 /nfs/dbraw/zinc/64/52/16/911645216.db2.gz SGCIIOZDJXVJPF-XYYAHUGASA-N 2 2 278.356 -0.751 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001441321287 911645223 /nfs/dbraw/zinc/64/52/23/911645223.db2.gz SGCIIOZDJXVJPF-XYYAHUGASA-N 2 2 278.356 -0.751 20 0 CBADLP C[C@H](O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001441329355 911645346 /nfs/dbraw/zinc/64/53/46/911645346.db2.gz XJRFQXBCPZOOGR-ZDEQEGDKSA-N 2 2 278.356 -0.442 20 0 CBADLP C[C@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001441329355 911645353 /nfs/dbraw/zinc/64/53/53/911645353.db2.gz XJRFQXBCPZOOGR-ZDEQEGDKSA-N 2 2 278.356 -0.442 20 0 CBADLP CNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001441370535 911652834 /nfs/dbraw/zinc/65/28/34/911652834.db2.gz PAMXDUQOKITSGK-MGCOHNPYSA-N 2 2 279.344 -0.817 20 0 CBADLP NC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001441355014 911653881 /nfs/dbraw/zinc/65/38/81/911653881.db2.gz UDAFZGOJDMJPLP-GWOFURMSSA-N 2 2 291.355 -0.517 20 0 CBADLP NC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001441355014 911653891 /nfs/dbraw/zinc/65/38/91/911653891.db2.gz UDAFZGOJDMJPLP-GWOFURMSSA-N 2 2 291.355 -0.517 20 0 CBADLP CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001441430377 911670194 /nfs/dbraw/zinc/67/01/94/911670194.db2.gz PTILQGKFTLFSCB-HAQNSBGRSA-N 2 2 293.371 -0.354 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@H](C)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001441610242 911716517 /nfs/dbraw/zinc/71/65/17/911716517.db2.gz SAWZEQTYENCHFB-NXEZZACHSA-N 2 2 281.360 -0.477 20 0 CBADLP CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc1ccon1)[NH+](C)C ZINC001441751041 911778186 /nfs/dbraw/zinc/77/81/86/911778186.db2.gz LEKAVRYTCCSAPF-RYUDHWBXSA-N 2 2 284.360 -0.419 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H](CO)[NH2+]C[C@H]1CCOC1 ZINC001441765546 911786234 /nfs/dbraw/zinc/78/62/34/911786234.db2.gz NIYAYKBTUMFEDI-GHMZBOCLSA-N 2 2 282.344 -0.945 20 0 CBADLP NC(=O)C[NH2+]C[C@H]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001441897494 911845812 /nfs/dbraw/zinc/84/58/12/911845812.db2.gz SHCLEZWPAYDTQU-RYUDHWBXSA-N 2 2 293.371 -0.367 20 0 CBADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CC(=O)N1CCCC1 ZINC001441976930 911876158 /nfs/dbraw/zinc/87/61/58/911876158.db2.gz AQLPRLUVTIIGOU-NSHDSACASA-N 2 2 293.371 -0.331 20 0 CBADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@H]1CCCNC1=O ZINC001441979010 911878929 /nfs/dbraw/zinc/87/89/29/911878929.db2.gz YJBWXADRIXRZEY-ONGXEEELSA-N 2 2 279.344 -0.675 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@H](O)C[NH2+]C[C@H](C)O ZINC001442025692 911897955 /nfs/dbraw/zinc/89/79/55/911897955.db2.gz SVOPZZXVEWUNJC-GXSJLCMTSA-N 2 2 284.360 -0.950 20 0 CBADLP C[C@H](CNC(=O)CCCn1cc[nH+]c1)[NH2+][C@H](C)C(N)=O ZINC001442059995 911913546 /nfs/dbraw/zinc/91/35/46/911913546.db2.gz MMAZVCFGAHIJBK-GHMZBOCLSA-N 2 2 281.360 -0.369 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@H](C[NH2+]CC(N)=O)C1 ZINC001442188201 911945794 /nfs/dbraw/zinc/94/57/94/911945794.db2.gz YLLCGCSAHVUGTA-LLVKDONJSA-N 2 2 293.371 -0.724 20 0 CBADLP CCNC(=O)C[N@H+](C)CCNC(=O)CC1CC[NH+](C)CC1 ZINC001442534583 912039826 /nfs/dbraw/zinc/03/98/26/912039826.db2.gz KXQXMVWANDHKAD-UHFFFAOYSA-N 2 2 298.431 -0.098 20 0 CBADLP CCNC(=O)C[N@@H+](C)CCNC(=O)CC1CC[NH+](C)CC1 ZINC001442534583 912039844 /nfs/dbraw/zinc/03/98/44/912039844.db2.gz KXQXMVWANDHKAD-UHFFFAOYSA-N 2 2 298.431 -0.098 20 0 CBADLP CC[N@H+](CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)CC(N)=O ZINC001442756564 912098140 /nfs/dbraw/zinc/09/81/40/912098140.db2.gz PYSYCKABHXLONB-RYUDHWBXSA-N 2 2 284.404 -0.217 20 0 CBADLP CC[N@@H+](CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)CC(N)=O ZINC001442756564 912098162 /nfs/dbraw/zinc/09/81/62/912098162.db2.gz PYSYCKABHXLONB-RYUDHWBXSA-N 2 2 284.404 -0.217 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001442883275 912120709 /nfs/dbraw/zinc/12/07/09/912120709.db2.gz OOSLBNVMQHPARJ-NSHDSACASA-N 2 2 279.344 -0.885 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001442883275 912120719 /nfs/dbraw/zinc/12/07/19/912120719.db2.gz OOSLBNVMQHPARJ-NSHDSACASA-N 2 2 279.344 -0.885 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001442900315 912123716 /nfs/dbraw/zinc/12/37/16/912123716.db2.gz AWYUFVGDRJMRPM-VXGBXAGGSA-N 2 2 293.371 -0.415 20 0 CBADLP CC[C@H](C(N)=O)[N@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001442900315 912123723 /nfs/dbraw/zinc/12/37/23/912123723.db2.gz AWYUFVGDRJMRPM-VXGBXAGGSA-N 2 2 293.371 -0.415 20 0 CBADLP CCC[N@H+](CCNC(=O)Cn1cc[nH+]c1)CC(=O)NC ZINC001442972008 912134037 /nfs/dbraw/zinc/13/40/37/912134037.db2.gz ZZLLAAGQFLZVHI-UHFFFAOYSA-N 2 2 281.360 -0.543 20 0 CBADLP CCC[N@@H+](CCNC(=O)Cn1cc[nH+]c1)CC(=O)NC ZINC001442972008 912134043 /nfs/dbraw/zinc/13/40/43/912134043.db2.gz ZZLLAAGQFLZVHI-UHFFFAOYSA-N 2 2 281.360 -0.543 20 0 CBADLP CNC(=O)C[N@H+](CCNC(=O)C[NH+](C)C1CCC1)C1CC1 ZINC001443010298 912144294 /nfs/dbraw/zinc/14/42/94/912144294.db2.gz WVEGJHPDCMKTJD-UHFFFAOYSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[N@@H+](CCNC(=O)C[NH+](C)C1CCC1)C1CC1 ZINC001443010298 912144299 /nfs/dbraw/zinc/14/42/99/912144299.db2.gz WVEGJHPDCMKTJD-UHFFFAOYSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[NH+](CCNC(=O)C[N@H+](C)C1CCC1)C1CC1 ZINC001443010298 912144302 /nfs/dbraw/zinc/14/43/02/912144302.db2.gz WVEGJHPDCMKTJD-UHFFFAOYSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[NH+](CCNC(=O)C[N@@H+](C)C1CCC1)C1CC1 ZINC001443010298 912144307 /nfs/dbraw/zinc/14/43/07/912144307.db2.gz WVEGJHPDCMKTJD-UHFFFAOYSA-N 2 2 296.415 -0.203 20 0 CBADLP CN(CC[NH2+][C@H]1CCN(C)C1=O)C(=O)Cc1c[nH+]cn1C ZINC001443102450 912155515 /nfs/dbraw/zinc/15/55/15/912155515.db2.gz RNHMBHFHZBQKBZ-LBPRGKRZSA-N 2 2 293.371 -0.759 20 0 CBADLP CC[C@@H](C(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)C(N)=O)C1)[NH+](C)C ZINC001443423696 912195482 /nfs/dbraw/zinc/19/54/82/912195482.db2.gz VJNJAUIYANYVJL-TUAOUCFPSA-N 2 2 284.404 -0.219 20 0 CBADLP CC[C@@H](C(=O)N[C@@H]1CCC[N@H+]([C@@H](C)C(N)=O)C1)[NH+](C)C ZINC001443423696 912195487 /nfs/dbraw/zinc/19/54/87/912195487.db2.gz VJNJAUIYANYVJL-TUAOUCFPSA-N 2 2 284.404 -0.219 20 0 CBADLP CC[C@@H](C(=O)N[C@@H]1CCC[N@@H+]([C@H](C)C(N)=O)C1)[NH+](C)C ZINC001443423705 912195616 /nfs/dbraw/zinc/19/56/16/912195616.db2.gz VJNJAUIYANYVJL-UTUOFQBUSA-N 2 2 284.404 -0.219 20 0 CBADLP CC[C@@H](C(=O)N[C@@H]1CCC[N@H+]([C@H](C)C(N)=O)C1)[NH+](C)C ZINC001443423705 912195619 /nfs/dbraw/zinc/19/56/19/912195619.db2.gz VJNJAUIYANYVJL-UTUOFQBUSA-N 2 2 284.404 -0.219 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001465079306 915031966 /nfs/dbraw/zinc/03/19/66/915031966.db2.gz DJTQEQTZYQYDEB-GFCCVEGCSA-N 2 2 265.361 -0.446 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC001465079306 915031981 /nfs/dbraw/zinc/03/19/81/915031981.db2.gz DJTQEQTZYQYDEB-GFCCVEGCSA-N 2 2 265.361 -0.446 20 0 CBADLP C[NH+](C)CC(=O)NC1CC[NH+]([C@@H]2CCOC2=O)CC1 ZINC001466302621 915109210 /nfs/dbraw/zinc/10/92/10/915109210.db2.gz FURAKRBWXYDOHN-LLVKDONJSA-N 2 2 269.345 -0.556 20 0 CBADLP O=C(NC[C@H](CO)[NH2+]CCO)c1cccc2[nH+]ccn21 ZINC001507221406 921757392 /nfs/dbraw/zinc/75/73/92/921757392.db2.gz YVYNRFJJEGCTJZ-SNVBAGLBSA-N 2 2 278.312 -0.993 20 0 CBADLP Cc1nnc([C@H](C)[NH2+][C@H](CO)CNC(=O)CC[NH+](C)C)[nH]1 ZINC001507232074 921765735 /nfs/dbraw/zinc/76/57/35/921765735.db2.gz LGWHMRKTRWTDPN-ONGXEEELSA-N 2 2 298.391 -0.807 20 0 CBADLP C[NH+](C)CCC(=O)NC[C@H](CO)[NH2+]Cc1cscn1 ZINC001507232822 921767402 /nfs/dbraw/zinc/76/74/02/921767402.db2.gz QQAWGMKXNRDNRY-SNVBAGLBSA-N 2 2 286.401 -0.339 20 0 CBADLP COC[C@@H](C)[NH2+][C@@H](CO)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001507240415 921771948 /nfs/dbraw/zinc/77/19/48/921771948.db2.gz OLRVWAWXRWBVSJ-MWLCHTKSSA-N 2 2 270.333 -0.946 20 0 CBADLP CC(C)=CC[NH2+][C@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001507266430 921794144 /nfs/dbraw/zinc/79/41/44/921794144.db2.gz BXKLHANQKNZITK-LBPRGKRZSA-N 2 2 266.345 -0.084 20 0 CBADLP Cn1nccc1C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC001473995970 915880994 /nfs/dbraw/zinc/88/09/94/915880994.db2.gz MXQPGEIDEOCBLU-AWEZNQCLSA-N 2 2 293.415 -0.084 20 0 CBADLP C[NH+](C)CC(C)(C)CNS(=O)(=O)N1CC[NH+](C)CC1 ZINC001474779896 915904263 /nfs/dbraw/zinc/90/42/63/915904263.db2.gz IZGBBRRKGMJZDF-UHFFFAOYSA-N 2 2 292.449 -0.344 20 0 CBADLP CC[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1)C(N)=O ZINC001479330094 916117148 /nfs/dbraw/zinc/11/71/48/916117148.db2.gz OKOXTDKFWFMTAG-AXFHLTTASA-N 2 2 293.371 -0.300 20 0 CBADLP CNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001479337305 916118168 /nfs/dbraw/zinc/11/81/68/916118168.db2.gz IMJFMTYEDIDOAN-PHIMTYICSA-N 2 2 293.371 -0.807 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)NC[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001479338697 916119613 /nfs/dbraw/zinc/11/96/13/916119613.db2.gz BAHDAROUMJXRDZ-PHIMTYICSA-N 2 2 293.371 -0.678 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H]1C[C@H]([NH2+]CCCO)C1 ZINC001479401663 916129725 /nfs/dbraw/zinc/12/97/25/916129725.db2.gz URDOBMXEMRJNKX-XYPYZODXSA-N 2 2 266.345 -0.181 20 0 CBADLP C[C@H](CC(=O)NC[C@H]1C[C@H]([NH2+]CC(N)=O)C1)n1cc[nH+]c1 ZINC001479401153 916130867 /nfs/dbraw/zinc/13/08/67/916130867.db2.gz ZBMORDTXPZRKLA-IJLUTSLNSA-N 2 2 293.371 -0.196 20 0 CBADLP C[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)Cn2cc[nH+]c2)C1)C(N)=O ZINC001479418232 916131073 /nfs/dbraw/zinc/13/10/73/916131073.db2.gz CRSDPRRMVKCNIG-GMTAPVOTSA-N 2 2 279.344 -0.759 20 0 CBADLP CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H]1C ZINC001479727185 916156501 /nfs/dbraw/zinc/15/65/01/916156501.db2.gz FFCYNQGMXKUUHV-OLZOCXBDSA-N 2 2 296.415 -0.203 20 0 CBADLP CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H]1C ZINC001479727185 916156510 /nfs/dbraw/zinc/15/65/10/916156510.db2.gz FFCYNQGMXKUUHV-OLZOCXBDSA-N 2 2 296.415 -0.203 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NC[C@@H](C)[NH2+]Cc1nncn1C ZINC001480501868 916443140 /nfs/dbraw/zinc/44/31/40/916443140.db2.gz DDMHYFVJBAOVDD-SNVBAGLBSA-N 2 2 291.359 -0.385 20 0 CBADLP CCN1CC[C@H]([NH2+][C@H](C)CNC(=O)Cc2[nH]cc[nH+]2)C1=O ZINC001480561881 916474331 /nfs/dbraw/zinc/47/43/31/916474331.db2.gz NOKFLWKVVMUSSE-MNOVXSKESA-N 2 2 293.371 -0.333 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)[NH2+][C@@H](C)C(=O)N(C)C ZINC001480580612 916482968 /nfs/dbraw/zinc/48/29/68/916482968.db2.gz WKXKTNRESNASQN-ONGXEEELSA-N 2 2 295.387 -0.168 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)[NH2+][C@H](C)C(=O)N(C)C ZINC001480580610 916484058 /nfs/dbraw/zinc/48/40/58/916484058.db2.gz WKXKTNRESNASQN-MWLCHTKSSA-N 2 2 295.387 -0.168 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001480595643 916488332 /nfs/dbraw/zinc/48/83/32/916488332.db2.gz CTHXBBYBYWBYPN-SNVBAGLBSA-N 2 2 298.391 -0.957 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001480595643 916488340 /nfs/dbraw/zinc/48/83/40/916488340.db2.gz CTHXBBYBYWBYPN-SNVBAGLBSA-N 2 2 298.391 -0.957 20 0 CBADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CCn1cccn1 ZINC001480602682 916490397 /nfs/dbraw/zinc/49/03/97/916490397.db2.gz DBVWKMHBCFWJEG-LBPRGKRZSA-N 2 2 276.344 -0.126 20 0 CBADLP CCN1CC[C@@H]([NH2+][C@@H](C)CNC(=O)Cn2cc[nH+]c2)C1=O ZINC001480605542 916491728 /nfs/dbraw/zinc/49/17/28/916491728.db2.gz XXVXCFKEIWONKG-NWDGAFQWSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1ccn(C)n1 ZINC001480605447 916492854 /nfs/dbraw/zinc/49/28/54/916492854.db2.gz WMYPGTSBVWXERK-NSHDSACASA-N 2 2 276.344 -0.089 20 0 CBADLP CNC(=O)C[N@H+](C)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001480913179 916624807 /nfs/dbraw/zinc/62/48/07/916624807.db2.gz KCKMLTJCFLAPEH-NSHDSACASA-N 2 2 270.377 -0.878 20 0 CBADLP CNC(=O)C[N@@H+](C)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001480913179 916624817 /nfs/dbraw/zinc/62/48/17/916624817.db2.gz KCKMLTJCFLAPEH-NSHDSACASA-N 2 2 270.377 -0.878 20 0 CBADLP CNC(=O)C[NH+](C)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001480913179 916624822 /nfs/dbraw/zinc/62/48/22/916624822.db2.gz KCKMLTJCFLAPEH-NSHDSACASA-N 2 2 270.377 -0.878 20 0 CBADLP CNC(=O)C[NH+](C)CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001480913179 916624830 /nfs/dbraw/zinc/62/48/30/916624830.db2.gz KCKMLTJCFLAPEH-NSHDSACASA-N 2 2 270.377 -0.878 20 0 CBADLP C[N@H+](CCNC(=O)Cn1cc[nH+]c1)CCn1cncn1 ZINC001480953158 916653409 /nfs/dbraw/zinc/65/34/09/916653409.db2.gz GHIXTYKQZLEKRW-UHFFFAOYSA-N 2 2 277.332 -0.777 20 0 CBADLP C[N@@H+](CCNC(=O)Cn1cc[nH+]c1)CCn1cncn1 ZINC001480953158 916653415 /nfs/dbraw/zinc/65/34/15/916653415.db2.gz GHIXTYKQZLEKRW-UHFFFAOYSA-N 2 2 277.332 -0.777 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+]1CC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001481117269 916720994 /nfs/dbraw/zinc/72/09/94/916720994.db2.gz RSMDPHIAJQWYHA-GHMZBOCLSA-N 2 2 293.371 -0.346 20 0 CBADLP CC[C@H](C(N)=O)[N@H+]1CC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001481117269 916721004 /nfs/dbraw/zinc/72/10/04/916721004.db2.gz RSMDPHIAJQWYHA-GHMZBOCLSA-N 2 2 293.371 -0.346 20 0 CBADLP NC(=O)C[N@H+](CCNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001481197355 916750244 /nfs/dbraw/zinc/75/02/44/916750244.db2.gz ZKMMUSUIOGYDDB-UHFFFAOYSA-N 2 2 268.361 -0.852 20 0 CBADLP NC(=O)C[N@@H+](CCNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001481197355 916750257 /nfs/dbraw/zinc/75/02/57/916750257.db2.gz ZKMMUSUIOGYDDB-UHFFFAOYSA-N 2 2 268.361 -0.852 20 0 CBADLP C[C@@H]([NH2+]CCN(C)C(=O)c1cc(C[NH+](C)C)on1)C(N)=O ZINC001481250448 916789186 /nfs/dbraw/zinc/78/91/86/916789186.db2.gz URGNHDAKFPWGGX-SECBINFHSA-N 2 2 297.359 -0.728 20 0 CBADLP C[C@@H](O)C[NH2+]CCN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001481248142 916789611 /nfs/dbraw/zinc/78/96/11/916789611.db2.gz NGWADBVEIDDGRW-NEPJUHHUSA-N 2 2 280.372 -0.126 20 0 CBADLP CC(C)NC(=O)C[NH2+]CCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001481295402 916806869 /nfs/dbraw/zinc/80/68/69/916806869.db2.gz TZUNSEUMGNDFDZ-UHFFFAOYSA-N 2 2 281.360 -0.475 20 0 CBADLP COCC[NH+]1CC(NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001481592529 916903858 /nfs/dbraw/zinc/90/38/58/916903858.db2.gz NGTDVUOKPMEUMI-UHFFFAOYSA-N 2 2 285.388 -0.456 20 0 CBADLP CN(C)C(=O)C[NH+]1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001481643110 916925593 /nfs/dbraw/zinc/92/55/93/916925593.db2.gz VPCJMVMDLJSFFV-UHFFFAOYSA-N 2 2 270.377 -0.926 20 0 CBADLP CCC[N@H+](C)CC(=O)NCC1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001481655696 916929430 /nfs/dbraw/zinc/92/94/30/916929430.db2.gz CSRGBZUZZZKQEC-GFCCVEGCSA-N 2 2 282.388 -0.735 20 0 CBADLP CCC[N@@H+](C)CC(=O)NCC1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001481655696 916929444 /nfs/dbraw/zinc/92/94/44/916929444.db2.gz CSRGBZUZZZKQEC-GFCCVEGCSA-N 2 2 282.388 -0.735 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC1C[NH+](CCF)C1 ZINC001481658838 916937035 /nfs/dbraw/zinc/93/70/35/916937035.db2.gz SBIWYILMDMTVAL-LBPRGKRZSA-N 2 2 287.379 -0.028 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)C(=O)NCC1C[NH+](CCF)C1 ZINC001481658837 916937716 /nfs/dbraw/zinc/93/77/16/916937716.db2.gz SBIWYILMDMTVAL-GFCCVEGCSA-N 2 2 287.379 -0.028 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)C ZINC001481676789 916938972 /nfs/dbraw/zinc/93/89/72/916938972.db2.gz MWZQSXGAELWEFT-DCAQKATOSA-N 2 2 268.361 -0.903 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)C ZINC001481676789 916938978 /nfs/dbraw/zinc/93/89/78/916938978.db2.gz MWZQSXGAELWEFT-DCAQKATOSA-N 2 2 268.361 -0.903 20 0 CBADLP CCOCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+](C)CCO1 ZINC001481666986 916941039 /nfs/dbraw/zinc/94/10/39/916941039.db2.gz DUFQDAQHCYDKNS-MELADBBJSA-N 2 2 297.399 -0.361 20 0 CBADLP CCOCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+](C)CCO1 ZINC001481666986 916941048 /nfs/dbraw/zinc/94/10/48/916941048.db2.gz DUFQDAQHCYDKNS-MELADBBJSA-N 2 2 297.399 -0.361 20 0 CBADLP CCOCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001481666986 916941059 /nfs/dbraw/zinc/94/10/59/916941059.db2.gz DUFQDAQHCYDKNS-MELADBBJSA-N 2 2 297.399 -0.361 20 0 CBADLP CCOCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001481666986 916941075 /nfs/dbraw/zinc/94/10/75/916941075.db2.gz DUFQDAQHCYDKNS-MELADBBJSA-N 2 2 297.399 -0.361 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NCC1C[NH+](CC(=O)N(C)C)C1 ZINC001481669039 916941905 /nfs/dbraw/zinc/94/19/05/916941905.db2.gz DCSFWJFBHFYTAN-UHFFFAOYSA-N 2 2 284.404 -0.537 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NCC1C[NH+](CC(=O)N(C)C)C1 ZINC001481669039 916941920 /nfs/dbraw/zinc/94/19/20/916941920.db2.gz DCSFWJFBHFYTAN-UHFFFAOYSA-N 2 2 284.404 -0.537 20 0 CBADLP CCN(C(=O)C[NH+]1CC[C@H](C)C1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001481773858 916978713 /nfs/dbraw/zinc/97/87/13/916978713.db2.gz DTPDJWHJDWYXCH-QWHCGFSZSA-N 2 2 296.415 -0.264 20 0 CBADLP CCN(C(=O)C[NH+]1CC[C@H](C)C1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001481773858 916978723 /nfs/dbraw/zinc/97/87/23/916978723.db2.gz DTPDJWHJDWYXCH-QWHCGFSZSA-N 2 2 296.415 -0.264 20 0 CBADLP CCN(C(=O)C[N@@H+]1CC[C@H](C)C1)[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001481773858 916978736 /nfs/dbraw/zinc/97/87/36/916978736.db2.gz DTPDJWHJDWYXCH-QWHCGFSZSA-N 2 2 296.415 -0.264 20 0 CBADLP CCN(C(=O)C[N@H+]1CC[C@H](C)C1)[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001481773858 916978750 /nfs/dbraw/zinc/97/87/50/916978750.db2.gz DTPDJWHJDWYXCH-QWHCGFSZSA-N 2 2 296.415 -0.264 20 0 CBADLP COCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001482055080 917031453 /nfs/dbraw/zinc/03/14/53/917031453.db2.gz JUVRNOWNNKTJJF-OLZOCXBDSA-N 2 2 285.388 -0.456 20 0 CBADLP COCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001482055080 917031464 /nfs/dbraw/zinc/03/14/64/917031464.db2.gz JUVRNOWNNKTJJF-OLZOCXBDSA-N 2 2 285.388 -0.456 20 0 CBADLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)C[NH2+][C@H]1CCNC1=O ZINC001482159670 917071724 /nfs/dbraw/zinc/07/17/24/917071724.db2.gz QQLNFMRMWHFCLA-PWSUYJOCSA-N 2 2 293.371 -0.807 20 0 CBADLP C[C@@H](O)C[NH2+]C[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001482176466 917076823 /nfs/dbraw/zinc/07/68/23/917076823.db2.gz UNOZIAVAFNKHOO-WDEREUQCSA-N 2 2 254.334 -0.394 20 0 CBADLP CC[NH2+]C[C@H](O)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001482776652 917272536 /nfs/dbraw/zinc/27/25/36/917272536.db2.gz GGROTWPFZICZGM-KOLCDFICSA-N 2 2 254.334 -0.325 20 0 CBADLP CC[NH2+]C[C@H](O)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001482776652 917272549 /nfs/dbraw/zinc/27/25/49/917272549.db2.gz GGROTWPFZICZGM-KOLCDFICSA-N 2 2 254.334 -0.325 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@H](O)C[NH2+]CCCF ZINC001482799131 917292504 /nfs/dbraw/zinc/29/25/04/917292504.db2.gz LTMIQXNDYCWHFG-SNVBAGLBSA-N 2 2 258.297 -0.691 20 0 CBADLP C[C@H](CC[NH2+]CC(=O)N(C)C)NC(=O)Cc1c[nH+]cn1C ZINC001482887338 917324726 /nfs/dbraw/zinc/32/47/26/917324726.db2.gz AEVSKRJISPVQNP-LLVKDONJSA-N 2 2 295.387 -0.465 20 0 CBADLP C[C@H](CC[NH2+]Cc1nnn(C)n1)NC(=O)C[NH+]1CCCC1 ZINC001482899554 917328315 /nfs/dbraw/zinc/32/83/15/917328315.db2.gz RMGJUOIUKHTHDG-LLVKDONJSA-N 2 2 295.391 -0.710 20 0 CBADLP C[C@H](C[N@H+](C)CCO)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001483349240 917536805 /nfs/dbraw/zinc/53/68/05/917536805.db2.gz LTXGULJJZSWEFX-GMTAPVOTSA-N 2 2 266.345 -0.058 20 0 CBADLP C[C@H](C[N@@H+](C)CCO)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001483349240 917536815 /nfs/dbraw/zinc/53/68/15/917536815.db2.gz LTXGULJJZSWEFX-GMTAPVOTSA-N 2 2 266.345 -0.058 20 0 CBADLP C[C@H](C[N@H+](C)CCO)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001483349240 917536826 /nfs/dbraw/zinc/53/68/26/917536826.db2.gz LTXGULJJZSWEFX-GMTAPVOTSA-N 2 2 266.345 -0.058 20 0 CBADLP C[C@H](C[N@@H+](C)CCO)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001483349240 917536837 /nfs/dbraw/zinc/53/68/37/917536837.db2.gz LTXGULJJZSWEFX-GMTAPVOTSA-N 2 2 266.345 -0.058 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C[N@H+](C)CCO ZINC001483411629 917559432 /nfs/dbraw/zinc/55/94/32/917559432.db2.gz GOQRALRAHHGZDN-VIFPVBQESA-N 2 2 254.334 -0.311 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C[N@@H+](C)CCO ZINC001483411629 917559438 /nfs/dbraw/zinc/55/94/38/917559438.db2.gz GOQRALRAHHGZDN-VIFPVBQESA-N 2 2 254.334 -0.311 20 0 CBADLP C[C@@H]([NH2+]CCCN(C)C(=O)CCc1c[nH]c[nH+]1)C(N)=O ZINC001483472603 917574320 /nfs/dbraw/zinc/57/43/20/917574320.db2.gz XGEXPONVMCRZCC-SNVBAGLBSA-N 2 2 281.360 -0.346 20 0 CBADLP C[C@@H]([NH2+]CCCN(C)C(=O)CCc1c[nH+]c[nH]1)C(N)=O ZINC001483472603 917574334 /nfs/dbraw/zinc/57/43/34/917574334.db2.gz XGEXPONVMCRZCC-SNVBAGLBSA-N 2 2 281.360 -0.346 20 0 CBADLP CN(CCC[NH2+]Cc1nnnn1C)C(=O)Cc1c[nH+]c[nH]1 ZINC001483494386 917583923 /nfs/dbraw/zinc/58/39/23/917583923.db2.gz GDPZFUGBFULUNA-UHFFFAOYSA-N 2 2 292.347 -0.886 20 0 CBADLP CCC[N@H+](C)CC(=O)NC[C@@H]1CC[NH+]1CCn1cncn1 ZINC001483694471 917643676 /nfs/dbraw/zinc/64/36/76/917643676.db2.gz ASESXKHLHPHKCH-ZDUSSCGKSA-N 2 2 294.403 -0.190 20 0 CBADLP CCC[N@@H+](C)CC(=O)NC[C@@H]1CC[NH+]1CCn1cncn1 ZINC001483694471 917643691 /nfs/dbraw/zinc/64/36/91/917643691.db2.gz ASESXKHLHPHKCH-ZDUSSCGKSA-N 2 2 294.403 -0.190 20 0 CBADLP CCC[NH+](C)CC(=O)NC[C@@H]1CC[N@@H+]1CCn1cncn1 ZINC001483694471 917643704 /nfs/dbraw/zinc/64/37/04/917643704.db2.gz ASESXKHLHPHKCH-ZDUSSCGKSA-N 2 2 294.403 -0.190 20 0 CBADLP CCC[NH+](C)CC(=O)NC[C@@H]1CC[N@H+]1CCn1cncn1 ZINC001483694471 917643721 /nfs/dbraw/zinc/64/37/21/917643721.db2.gz ASESXKHLHPHKCH-ZDUSSCGKSA-N 2 2 294.403 -0.190 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)C(=O)N(C)C1C[NH+](CCO)C1 ZINC001483890866 917700858 /nfs/dbraw/zinc/70/08/58/917700858.db2.gz KUDKFJMMMNCBNV-GFCCVEGCSA-N 2 2 285.388 -0.910 20 0 CBADLP C[C@H]([NH2+]C[C@@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1)C(N)=O ZINC001483945728 917712071 /nfs/dbraw/zinc/71/20/71/917712071.db2.gz GEMAMMPHHSAGEI-ONGXEEELSA-N 2 2 279.344 -0.593 20 0 CBADLP C[C@H](O)C[NH2+]C[C@@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001483947268 917712315 /nfs/dbraw/zinc/71/23/15/917712315.db2.gz XGCHQRGEQNRWMR-JQWIXIFHSA-N 2 2 266.345 -0.086 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)N1CCC[C@H]1C[NH2+]CCO ZINC001483953559 917712403 /nfs/dbraw/zinc/71/24/03/917712403.db2.gz IZSVFVDSXKSDPH-ZDUSSCGKSA-N 2 2 280.372 -0.074 20 0 CBADLP CC(C)[N@@H+]1CC[C@@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001484255051 917794780 /nfs/dbraw/zinc/79/47/80/917794780.db2.gz VDPLTBLSJJKPOF-CYBMUJFWSA-N 2 2 266.345 -0.156 20 0 CBADLP CC(C)[N@H+]1CC[C@@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001484255051 917794787 /nfs/dbraw/zinc/79/47/87/917794787.db2.gz VDPLTBLSJJKPOF-CYBMUJFWSA-N 2 2 266.345 -0.156 20 0 CBADLP C[NH+](C)CCC(=O)NCC1(O)C[NH+](C[C@@H]2CCCCO2)C1 ZINC001484293279 917819703 /nfs/dbraw/zinc/81/97/03/917819703.db2.gz DBEZCZQYCCZSFF-ZDUSSCGKSA-N 2 2 299.415 -0.330 20 0 CBADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C[NH2+]CC(N)=O ZINC001484380294 917835713 /nfs/dbraw/zinc/83/57/13/917835713.db2.gz HGRHKGQBPOMLBK-MNOVXSKESA-N 2 2 293.371 -0.868 20 0 CBADLP CNC(=O)C[NH2+]CC[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001484555236 917885374 /nfs/dbraw/zinc/88/53/74/917885374.db2.gz YTNCQPXLYJFNBT-GFCCVEGCSA-N 2 2 293.371 -0.543 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H](CC[NH2+]CCO)C1 ZINC001484538939 917885994 /nfs/dbraw/zinc/88/59/94/917885994.db2.gz IJGTXJQAHUUGNG-LLVKDONJSA-N 2 2 266.345 -0.227 20 0 CBADLP C[C@@H](O)C[N@@H+]1CCOC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001484602305 917896893 /nfs/dbraw/zinc/89/68/93/917896893.db2.gz YELWMHDLDHSXGX-CHWSQXEVSA-N 2 2 287.404 -0.474 20 0 CBADLP C[C@@H](O)C[N@H+]1CCOC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001484602305 917896901 /nfs/dbraw/zinc/89/69/01/917896901.db2.gz YELWMHDLDHSXGX-CHWSQXEVSA-N 2 2 287.404 -0.474 20 0 CBADLP C[C@H](O)C[NH2+]C1(CNC(=O)Cc2[nH]cc[nH+]2)CCC1 ZINC001484655695 917907575 /nfs/dbraw/zinc/90/75/75/917907575.db2.gz APJKVEJOKXPMSM-JTQLQIEISA-N 2 2 266.345 -0.039 20 0 CBADLP C[C@H](O)C[NH2+][C@@]1(CO)CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001484854365 917949407 /nfs/dbraw/zinc/94/94/07/917949407.db2.gz DEOAFZWDHJOBGL-JSGCOSHPSA-N 2 2 296.371 -0.793 20 0 CBADLP C[C@@H](O)C[NH2+][C@]1(CO)CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001484854369 917952310 /nfs/dbraw/zinc/95/23/10/917952310.db2.gz DEOAFZWDHJOBGL-TZMCWYRMSA-N 2 2 296.371 -0.793 20 0 CBADLP CNC(=O)C[NH2+]CC1CC(NC(=O)CCn2cc[nH+]c2)C1 ZINC001485099030 917996160 /nfs/dbraw/zinc/99/61/60/917996160.db2.gz DNJMJEGQCGMKJO-UHFFFAOYSA-N 2 2 293.371 -0.496 20 0 CBADLP C[C@@H](NC(=O)CCc1c[nH+]cn1C)[C@@H](C)[NH2+]CCO ZINC001485219934 918033491 /nfs/dbraw/zinc/03/34/91/918033491.db2.gz MCHBDXRQZNWEHG-GHMZBOCLSA-N 2 2 268.361 -0.172 20 0 CBADLP C[C@@H](NC(=O)CCc1c[nH+]cn1C)[C@H](C)[NH2+]CCO ZINC001485219937 918034531 /nfs/dbraw/zinc/03/45/31/918034531.db2.gz MCHBDXRQZNWEHG-WDEREUQCSA-N 2 2 268.361 -0.172 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+](C)[C@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001485378872 918101348 /nfs/dbraw/zinc/10/13/48/918101348.db2.gz ZUXIYNMESYZQRY-SKDRFNHKSA-N 2 2 295.387 -0.039 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+](C)[C@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001485378872 918101358 /nfs/dbraw/zinc/10/13/58/918101358.db2.gz ZUXIYNMESYZQRY-SKDRFNHKSA-N 2 2 295.387 -0.039 20 0 CBADLP CCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001485523470 918133777 /nfs/dbraw/zinc/13/37/77/918133777.db2.gz SRMMCPGHJSIRLW-LLVKDONJSA-N 2 2 284.404 -0.489 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CC([C@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001485537757 918139136 /nfs/dbraw/zinc/13/91/36/918139136.db2.gz SOHRTWKBQAJYKV-WDEREUQCSA-N 2 2 282.388 -0.608 20 0 CBADLP C[C@@H](NC(=O)C[NH+]1CCCC1)C1C[NH+]([C@H](C)C(N)=O)C1 ZINC001485537754 918139658 /nfs/dbraw/zinc/13/96/58/918139658.db2.gz SOHRTWKBQAJYKV-GHMZBOCLSA-N 2 2 282.388 -0.608 20 0 CBADLP CCC[N@H+](C)CCC(=O)N[C@H](C)C1C[NH+](CC(=O)NC)C1 ZINC001485532688 918141248 /nfs/dbraw/zinc/14/12/48/918141248.db2.gz IQXJUDHGRNECNJ-GFCCVEGCSA-N 2 2 298.431 -0.099 20 0 CBADLP CCC[N@@H+](C)CCC(=O)N[C@H](C)C1C[NH+](CC(=O)NC)C1 ZINC001485532688 918141260 /nfs/dbraw/zinc/14/12/60/918141260.db2.gz IQXJUDHGRNECNJ-GFCCVEGCSA-N 2 2 298.431 -0.099 20 0 CBADLP C[C@@H]([NH2+]CCCO)[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001485647839 918163715 /nfs/dbraw/zinc/16/37/15/918163715.db2.gz UYODWDKOWJUGFQ-VXGBXAGGSA-N 2 2 296.371 -0.460 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001485706511 918171446 /nfs/dbraw/zinc/17/14/46/918171446.db2.gz CHQFSQZBEQSLMY-SRVKXCTJSA-N 2 2 293.371 -0.498 20 0 CBADLP CC[NH2+][C@H](CO)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001486011552 918304238 /nfs/dbraw/zinc/30/42/38/918304238.db2.gz VSRQEAAYTYAIMI-QWRGUYRKSA-N 2 2 266.345 -0.468 20 0 CBADLP CC[C@H](F)C[NH2+][C@H](CO)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001486036838 918332126 /nfs/dbraw/zinc/33/21/26/918332126.db2.gz AQENWQIPSHYNOZ-ONGXEEELSA-N 2 2 272.324 -0.233 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@H](CO)[NH2+]C[C@@H]1CCCOC1 ZINC001486038220 918332997 /nfs/dbraw/zinc/33/29/97/918332997.db2.gz KURFCQDGURIEKN-AAEUAGOBSA-N 2 2 296.371 -0.555 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H](CO)[NH2+]CC[C@@H]1CCOC1 ZINC001486049182 918346272 /nfs/dbraw/zinc/34/62/72/918346272.db2.gz YNKOBSWAQUNKDI-VXGBXAGGSA-N 2 2 296.371 -0.555 20 0 CBADLP C[C@@H]1C[C@@H]([NH2+]CCCO)CN1C(=O)Cc1c[nH+]cn1C ZINC001486128166 918374251 /nfs/dbraw/zinc/37/42/51/918374251.db2.gz IPLZKTORTQXTLJ-VXGBXAGGSA-N 2 2 280.372 -0.076 20 0 CBADLP C[C@H]1C[C@H]([NH2+]CCCO)CN1C(=O)Cc1c[nH+]cn1C ZINC001486128164 918374605 /nfs/dbraw/zinc/37/46/05/918374605.db2.gz IPLZKTORTQXTLJ-RYUDHWBXSA-N 2 2 280.372 -0.076 20 0 CBADLP CCC[NH2+]C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001486320697 918425945 /nfs/dbraw/zinc/42/59/45/918425945.db2.gz WCQCSOXNYWCMPM-NSHDSACASA-N 2 2 254.334 -0.298 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@@H](C[NH2+]CC(N)=O)C(C)(C)C ZINC001486419584 918458977 /nfs/dbraw/zinc/45/89/77/918458977.db2.gz DRBXZSGYLCINES-NSHDSACASA-N 2 2 295.387 -0.432 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+](C)C ZINC001488651639 918743910 /nfs/dbraw/zinc/74/39/10/918743910.db2.gz ARVATMCFFXAGQW-GHMZBOCLSA-N 2 2 270.377 -0.655 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+](C)C ZINC001488651639 918743924 /nfs/dbraw/zinc/74/39/24/918743924.db2.gz ARVATMCFFXAGQW-GHMZBOCLSA-N 2 2 270.377 -0.655 20 0 CBADLP Cn1cnnc1C[N@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001490279788 918885230 /nfs/dbraw/zinc/88/52/30/918885230.db2.gz PBHJQDSYKKTYKF-LBPRGKRZSA-N 2 2 294.403 -0.295 20 0 CBADLP Cn1cnnc1C[N@@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001490279788 918885245 /nfs/dbraw/zinc/88/52/45/918885245.db2.gz PBHJQDSYKKTYKF-LBPRGKRZSA-N 2 2 294.403 -0.295 20 0 CBADLP Cn1cnnc1C[NH+](C)CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001490279788 918885254 /nfs/dbraw/zinc/88/52/54/918885254.db2.gz PBHJQDSYKKTYKF-LBPRGKRZSA-N 2 2 294.403 -0.295 20 0 CBADLP Cn1cnnc1C[NH+](C)CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001490279788 918885271 /nfs/dbraw/zinc/88/52/71/918885271.db2.gz PBHJQDSYKKTYKF-LBPRGKRZSA-N 2 2 294.403 -0.295 20 0 CBADLP C[C@H](C(N)=O)[N@H+](C)CCCNC(=O)CCc1c[nH+]cn1C ZINC001490274837 918886372 /nfs/dbraw/zinc/88/63/72/918886372.db2.gz CFQYTJZJDVKQTK-LLVKDONJSA-N 2 2 295.387 -0.335 20 0 CBADLP C[C@H](C(N)=O)[N@@H+](C)CCCNC(=O)CCc1c[nH+]cn1C ZINC001490274837 918886391 /nfs/dbraw/zinc/88/63/91/918886391.db2.gz CFQYTJZJDVKQTK-LLVKDONJSA-N 2 2 295.387 -0.335 20 0 CBADLP CNC(=O)C[NH2+][C@H](CNC(=O)CCc1c[nH+]c[nH]1)C1CC1 ZINC001490667551 918955805 /nfs/dbraw/zinc/95/58/05/918955805.db2.gz HRGSUWJZQRMKNB-GFCCVEGCSA-N 2 2 293.371 -0.427 20 0 CBADLP CNC(=O)C[NH2+][C@H](CNC(=O)CCc1c[nH]c[nH+]1)C1CC1 ZINC001490667551 918955790 /nfs/dbraw/zinc/95/57/90/918955790.db2.gz HRGSUWJZQRMKNB-GFCCVEGCSA-N 2 2 293.371 -0.427 20 0 CBADLP CCNC(=O)C[NH2+][C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001490710954 918964515 /nfs/dbraw/zinc/96/45/15/918964515.db2.gz QKIKQYHCSPWUAZ-LBPRGKRZSA-N 2 2 293.371 -0.427 20 0 CBADLP COCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001491244502 919091196 /nfs/dbraw/zinc/09/11/96/919091196.db2.gz MQPMBXJOSOPGFT-KGLIPLIRSA-N 2 2 299.415 -0.066 20 0 CBADLP COCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001491244502 919091207 /nfs/dbraw/zinc/09/12/07/919091207.db2.gz MQPMBXJOSOPGFT-KGLIPLIRSA-N 2 2 299.415 -0.066 20 0 CBADLP CCC[N@H+](C)CC(=O)NCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001491493133 919181943 /nfs/dbraw/zinc/18/19/43/919181943.db2.gz HUIYTWWFWIWKSE-UHFFFAOYSA-N 2 2 281.360 -0.474 20 0 CBADLP CCC[N@@H+](C)CC(=O)NCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001491493133 919181955 /nfs/dbraw/zinc/18/19/55/919181955.db2.gz HUIYTWWFWIWKSE-UHFFFAOYSA-N 2 2 281.360 -0.474 20 0 CBADLP CNC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001491583536 919218759 /nfs/dbraw/zinc/21/87/59/919218759.db2.gz OXRACULIOKMVCY-GMTAPVOTSA-N 2 2 293.371 -0.636 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001491591357 919219908 /nfs/dbraw/zinc/21/99/08/919219908.db2.gz VURPCUAIWNPPKT-RKDXNWHRSA-N 2 2 267.333 -0.819 20 0 CBADLP C[C@H](CCNC(=O)Cc1[nH]cc[nH+]1)[NH2+]Cc1cnnn1C ZINC001492101916 919323393 /nfs/dbraw/zinc/32/33/93/919323393.db2.gz NGONQTGTXPBOHK-SNVBAGLBSA-N 2 2 291.359 -0.235 20 0 CBADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)[C@@H]1CCNC1=O ZINC001492251828 919377447 /nfs/dbraw/zinc/37/74/47/919377447.db2.gz YCMBCZAVKPGXBE-CHWSQXEVSA-N 2 2 296.415 -0.204 20 0 CBADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)[C@@H]1CCNC1=O ZINC001492251828 919377463 /nfs/dbraw/zinc/37/74/63/919377463.db2.gz YCMBCZAVKPGXBE-CHWSQXEVSA-N 2 2 296.415 -0.204 20 0 CBADLP CC(C)[NH+]1CCC[C@@H]1C(=O)NCC[N@H+](C)[C@@H]1CCNC1=O ZINC001492251828 919377479 /nfs/dbraw/zinc/37/74/79/919377479.db2.gz YCMBCZAVKPGXBE-CHWSQXEVSA-N 2 2 296.415 -0.204 20 0 CBADLP CC(C)[NH+]1CCC[C@@H]1C(=O)NCC[N@@H+](C)[C@@H]1CCNC1=O ZINC001492251828 919377496 /nfs/dbraw/zinc/37/74/96/919377496.db2.gz YCMBCZAVKPGXBE-CHWSQXEVSA-N 2 2 296.415 -0.204 20 0 CBADLP CNC(=O)C[N@H+](C)CCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001492304189 919386430 /nfs/dbraw/zinc/38/64/30/919386430.db2.gz TWGCYNBTZYSIAQ-CHWSQXEVSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001492304189 919386438 /nfs/dbraw/zinc/38/64/38/919386438.db2.gz TWGCYNBTZYSIAQ-CHWSQXEVSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[NH+](C)CCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001492304189 919386452 /nfs/dbraw/zinc/38/64/52/919386452.db2.gz TWGCYNBTZYSIAQ-CHWSQXEVSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[NH+](C)CCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001492304189 919386455 /nfs/dbraw/zinc/38/64/55/919386455.db2.gz TWGCYNBTZYSIAQ-CHWSQXEVSA-N 2 2 296.415 -0.203 20 0 CBADLP C[C@H](O)C[N@H+](C)CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001492309055 919388187 /nfs/dbraw/zinc/38/81/87/919388187.db2.gz LVSYHDQOWMMAPY-RYUDHWBXSA-N 2 2 280.372 -0.126 20 0 CBADLP C[C@H](O)C[N@@H+](C)CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001492309055 919388207 /nfs/dbraw/zinc/38/82/07/919388207.db2.gz LVSYHDQOWMMAPY-RYUDHWBXSA-N 2 2 280.372 -0.126 20 0 CBADLP C[N@H+](CCO)CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001492312313 919394676 /nfs/dbraw/zinc/39/46/76/919394676.db2.gz PXJZPYRRDALHMB-NSHDSACASA-N 2 2 266.345 -0.514 20 0 CBADLP C[N@@H+](CCO)CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001492312313 919394693 /nfs/dbraw/zinc/39/46/93/919394693.db2.gz PXJZPYRRDALHMB-NSHDSACASA-N 2 2 266.345 -0.514 20 0 CBADLP C[N@H+](CCNC(=O)C[NH+]1CCCC1)CC(=O)NC1CC1 ZINC001492857835 919438849 /nfs/dbraw/zinc/43/88/49/919438849.db2.gz RPCRMGMJTGQCET-UHFFFAOYSA-N 2 2 282.388 -0.591 20 0 CBADLP C[N@@H+](CCNC(=O)C[NH+]1CCCC1)CC(=O)NC1CC1 ZINC001492857835 919438863 /nfs/dbraw/zinc/43/88/63/919438863.db2.gz RPCRMGMJTGQCET-UHFFFAOYSA-N 2 2 282.388 -0.591 20 0 CBADLP NC(=O)C[N@H+](CCNC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001493386256 919543337 /nfs/dbraw/zinc/54/33/37/919543337.db2.gz XICIFNKKOANHLG-UHFFFAOYSA-N 2 2 294.399 -0.319 20 0 CBADLP NC(=O)C[N@@H+](CCNC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001493386256 919543346 /nfs/dbraw/zinc/54/33/46/919543346.db2.gz XICIFNKKOANHLG-UHFFFAOYSA-N 2 2 294.399 -0.319 20 0 CBADLP Cc1cn(C(C)(C)C(=O)N(C)CC[NH2+]CCO)c[nH+]1 ZINC001493590489 919587147 /nfs/dbraw/zinc/58/71/47/919587147.db2.gz KEDKAMZFDFSHSR-UHFFFAOYSA-N 2 2 268.361 -0.033 20 0 CBADLP CC[C@H](C(=O)N[C@H]1CCC[N@@H+]([C@@H](C)C(N)=O)C1)[NH+](C)C ZINC001494319564 919675182 /nfs/dbraw/zinc/67/51/82/919675182.db2.gz VJNJAUIYANYVJL-SDDRHHMPSA-N 2 2 284.404 -0.219 20 0 CBADLP CC[C@H](C(=O)N[C@H]1CCC[N@H+]([C@@H](C)C(N)=O)C1)[NH+](C)C ZINC001494319564 919675188 /nfs/dbraw/zinc/67/51/88/919675188.db2.gz VJNJAUIYANYVJL-SDDRHHMPSA-N 2 2 284.404 -0.219 20 0 CBADLP CNC(=O)C[NH+]1CC(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001494576538 919742424 /nfs/dbraw/zinc/74/24/24/919742424.db2.gz IGDQKYNRNCUFNE-UHFFFAOYSA-N 2 2 296.415 -0.345 20 0 CBADLP CC(C)NC(=O)C[NH+]1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001494591155 919745603 /nfs/dbraw/zinc/74/56/03/919745603.db2.gz QDFKGYITTXGEHO-UHFFFAOYSA-N 2 2 284.404 -0.489 20 0 CBADLP CC[C@@H](C(=O)NCC1C[NH+](CC(=O)NC)C1)[NH+](CC)CC ZINC001494591262 919746007 /nfs/dbraw/zinc/74/60/07/919746007.db2.gz GTYJDMKPLXYOQQ-ZDUSSCGKSA-N 2 2 298.431 -0.099 20 0 CBADLP CCNC(=O)C[NH+]1CC(CNC(=O)CC[N@H+](C)CC)C1 ZINC001494612466 919748459 /nfs/dbraw/zinc/74/84/59/919748459.db2.gz ZGIOCKIULBCOAU-UHFFFAOYSA-N 2 2 284.404 -0.488 20 0 CBADLP CCNC(=O)C[NH+]1CC(CNC(=O)CC[N@@H+](C)CC)C1 ZINC001494612466 919748474 /nfs/dbraw/zinc/74/84/74/919748474.db2.gz ZGIOCKIULBCOAU-UHFFFAOYSA-N 2 2 284.404 -0.488 20 0 CBADLP CCC[N@H+](C)CCC(=O)NCC1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001494627323 919752173 /nfs/dbraw/zinc/75/21/73/919752173.db2.gz LGFJXHUONMEMQB-NSHDSACASA-N 2 2 284.404 -0.360 20 0 CBADLP CCC[N@@H+](C)CCC(=O)NCC1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001494627323 919752186 /nfs/dbraw/zinc/75/21/86/919752186.db2.gz LGFJXHUONMEMQB-NSHDSACASA-N 2 2 284.404 -0.360 20 0 CBADLP CCC[N@H+](C)CCC(=O)NCC1C[NH+]([C@H](C)C(N)=O)C1 ZINC001494627322 919752786 /nfs/dbraw/zinc/75/27/86/919752786.db2.gz LGFJXHUONMEMQB-LLVKDONJSA-N 2 2 284.404 -0.360 20 0 CBADLP CCC[N@@H+](C)CCC(=O)NCC1C[NH+]([C@H](C)C(N)=O)C1 ZINC001494627322 919752800 /nfs/dbraw/zinc/75/28/00/919752800.db2.gz LGFJXHUONMEMQB-LLVKDONJSA-N 2 2 284.404 -0.360 20 0 CBADLP CN(C(=O)CCc1c[nH+]cn1C)[C@H]1CC[N@H+](CCO)C1 ZINC001494862476 919808707 /nfs/dbraw/zinc/80/87/07/919808707.db2.gz GWPFTRQDUXAALQ-ZDUSSCGKSA-N 2 2 280.372 -0.122 20 0 CBADLP CN(C(=O)CCc1c[nH+]cn1C)[C@H]1CC[N@@H+](CCO)C1 ZINC001494862476 919808721 /nfs/dbraw/zinc/80/87/21/919808721.db2.gz GWPFTRQDUXAALQ-ZDUSSCGKSA-N 2 2 280.372 -0.122 20 0 CBADLP CC[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]Cc1cnnn1C ZINC001495080865 919856294 /nfs/dbraw/zinc/85/62/94/919856294.db2.gz TVORYKBUCFCTNK-SNVBAGLBSA-N 2 2 291.359 -0.235 20 0 CBADLP CC[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@@H]1CCN(C)C1=O ZINC001495078636 919856576 /nfs/dbraw/zinc/85/65/76/919856576.db2.gz BYSGGHKAEWCRKD-GHMZBOCLSA-N 2 2 293.371 -0.333 20 0 CBADLP C[C@@H](O)C[NH2+]CC1(NC(=O)[C@H]2C[N@H+](C)CCO2)CCCC1 ZINC001495140934 919872640 /nfs/dbraw/zinc/87/26/40/919872640.db2.gz VJLYGCPGBAOTBC-CHWSQXEVSA-N 2 2 299.415 -0.284 20 0 CBADLP C[C@@H](O)C[NH2+]CC1(NC(=O)[C@H]2C[N@@H+](C)CCO2)CCCC1 ZINC001495140934 919872653 /nfs/dbraw/zinc/87/26/53/919872653.db2.gz VJLYGCPGBAOTBC-CHWSQXEVSA-N 2 2 299.415 -0.284 20 0 CBADLP NC(=O)C[NH2+]CC1(NC(=O)CCn2cc[nH+]c2)CCCC1 ZINC001495199838 919874924 /nfs/dbraw/zinc/87/49/24/919874924.db2.gz UVQHAADZRYTCJK-UHFFFAOYSA-N 2 2 293.371 -0.223 20 0 CBADLP C[C@H](CCNC(=O)Cc1[nH]cc[nH+]1)NC(=O)CC[NH+](C)C ZINC001495671514 919924325 /nfs/dbraw/zinc/92/43/25/919924325.db2.gz ZLGCZZWZAYXCKK-LLVKDONJSA-N 2 2 295.387 -0.085 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)C[NH2+]CC(N)=O ZINC001495697087 919931531 /nfs/dbraw/zinc/93/15/31/919931531.db2.gz SXMCKLGJWIPTKL-WDEREUQCSA-N 2 2 293.371 -0.727 20 0 CBADLP CCN(C)C(=O)C[NH2+]C[C@H](C)N(C)C(=O)Cn1cc[nH+]c1 ZINC001496244614 920053721 /nfs/dbraw/zinc/05/37/21/920053721.db2.gz QYYAFRGTQRKWGO-LBPRGKRZSA-N 2 2 295.387 -0.202 20 0 CBADLP CC[C@H](C(N)=O)[N@H+](C)CCN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001496828367 920141188 /nfs/dbraw/zinc/14/11/88/920141188.db2.gz GIPNSGRROLGLKJ-GFCCVEGCSA-N 2 2 295.387 -0.085 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001496828367 920141198 /nfs/dbraw/zinc/14/11/98/920141198.db2.gz GIPNSGRROLGLKJ-GFCCVEGCSA-N 2 2 295.387 -0.085 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H](O)C[NH2+]CC1CCOCC1 ZINC001497063789 920235031 /nfs/dbraw/zinc/23/50/31/920235031.db2.gz PGKVORIXKVMBRP-CYBMUJFWSA-N 2 2 296.371 -0.555 20 0 CBADLP CC[C@H](F)C[NH2+]C[C@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001497124872 920256489 /nfs/dbraw/zinc/25/64/89/920256489.db2.gz CEDYHCBEZNLYRJ-QWRGUYRKSA-N 2 2 272.324 -0.302 20 0 CBADLP C[C@H](CC[NH2+]CC(N)=O)NC(=O)CCc1c[nH]c[nH+]1 ZINC001497203305 920271774 /nfs/dbraw/zinc/27/17/74/920271774.db2.gz ZMBSZDBRMIJZFD-SECBINFHSA-N 2 2 267.333 -0.688 20 0 CBADLP C[C@H](CC[NH2+]CC(N)=O)NC(=O)CCc1c[nH+]c[nH]1 ZINC001497203305 920271791 /nfs/dbraw/zinc/27/17/91/920271791.db2.gz ZMBSZDBRMIJZFD-SECBINFHSA-N 2 2 267.333 -0.688 20 0 CBADLP CC(C)NC(=O)C[NH2+]CC[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001497296211 920281227 /nfs/dbraw/zinc/28/12/27/920281227.db2.gz BUHGJEZSNHSNGM-NSHDSACASA-N 2 2 295.387 -0.039 20 0 CBADLP C[C@H](C[NH2+]Cc1nc(N(C)C)no1)NC(=O)CC[NH+](C)C ZINC001497901144 920421803 /nfs/dbraw/zinc/42/18/03/920421803.db2.gz YMHZBOFKXOVBSB-SNVBAGLBSA-N 2 2 298.391 -0.318 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001497997313 920436516 /nfs/dbraw/zinc/43/65/16/920436516.db2.gz MLCZTKGQACGZAG-NEPJUHHUSA-N 2 2 295.387 -0.108 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001497997314 920439584 /nfs/dbraw/zinc/43/95/84/920439584.db2.gz MLCZTKGQACGZAG-VXGBXAGGSA-N 2 2 295.387 -0.108 20 0 CBADLP CNC(=O)C[NH2+]C[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001498052128 920465158 /nfs/dbraw/zinc/46/51/58/920465158.db2.gz JDYDENCVWFHTLU-VIFPVBQESA-N 2 2 267.333 -0.817 20 0 CBADLP CNC(=O)C[NH2+]C[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001498052128 920465176 /nfs/dbraw/zinc/46/51/76/920465176.db2.gz JDYDENCVWFHTLU-VIFPVBQESA-N 2 2 267.333 -0.817 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC1CN(C(=O)CC[NH+](C)C)C1 ZINC001498329058 920553911 /nfs/dbraw/zinc/55/39/11/920553911.db2.gz LOQNDIBFBXMNEJ-UHFFFAOYSA-N 2 2 293.371 -0.461 20 0 CBADLP C[C@H](C[N@H+](C)CCCO)NC(=O)Cc1c[nH]c[nH+]1 ZINC001498392370 920574587 /nfs/dbraw/zinc/57/45/87/920574587.db2.gz CFHIRHXSZUDHJC-SNVBAGLBSA-N 2 2 254.334 -0.229 20 0 CBADLP C[C@H](C[N@@H+](C)CCCO)NC(=O)Cc1c[nH]c[nH+]1 ZINC001498392370 920574597 /nfs/dbraw/zinc/57/45/97/920574597.db2.gz CFHIRHXSZUDHJC-SNVBAGLBSA-N 2 2 254.334 -0.229 20 0 CBADLP C[C@@H](C[N@@H+](C)CCn1cncn1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001498416973 920576907 /nfs/dbraw/zinc/57/69/07/920576907.db2.gz ZNQZKSAGRUWEAO-NSHDSACASA-N 2 2 291.359 -0.320 20 0 CBADLP CNC(=O)C[NH2+]CCCN(C)C(=O)CCc1c[nH+]cn1C ZINC001498644988 920622119 /nfs/dbraw/zinc/62/21/19/920622119.db2.gz APUOIPHBXXSGDU-UHFFFAOYSA-N 2 2 295.387 -0.463 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H](C[NH2+]CCF)C2CC2)C1 ZINC001498744326 920633239 /nfs/dbraw/zinc/63/32/39/920633239.db2.gz CJKFQPCBNFHHII-RYUDHWBXSA-N 2 2 273.352 -0.229 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H](C[NH2+]CCF)C2CC2)C1 ZINC001498744326 920633247 /nfs/dbraw/zinc/63/32/47/920633247.db2.gz CJKFQPCBNFHHII-RYUDHWBXSA-N 2 2 273.352 -0.229 20 0 CBADLP NC(=O)C[NH2+]C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC1 ZINC001498776464 920639779 /nfs/dbraw/zinc/63/97/79/920639779.db2.gz YQHFCSKXDZHHHE-GMTAPVOTSA-N 2 2 291.355 -0.517 20 0 CBADLP CCN1CC[C@H]([N@@H+]2CC[C@H]2CNC(=O)CC[NH+](C)C)C1=O ZINC001499050053 920688643 /nfs/dbraw/zinc/68/86/43/920688643.db2.gz MHEHBFFKFSRFQV-STQMWFEESA-N 2 2 296.415 -0.251 20 0 CBADLP CCN1CC[C@H]([N@H+]2CC[C@H]2CNC(=O)CC[NH+](C)C)C1=O ZINC001499050053 920688654 /nfs/dbraw/zinc/68/86/54/920688654.db2.gz MHEHBFFKFSRFQV-STQMWFEESA-N 2 2 296.415 -0.251 20 0 CBADLP C[NH+](C)CCCC(=O)NC[C@H]1CC[N@@H+]1[C@H]1CCNC1=O ZINC001499047330 920688790 /nfs/dbraw/zinc/68/87/90/920688790.db2.gz FWHKSCYKUMIWMM-NEPJUHHUSA-N 2 2 282.388 -0.593 20 0 CBADLP C[NH+](C)CCCC(=O)NC[C@H]1CC[N@H+]1[C@H]1CCNC1=O ZINC001499047330 920688800 /nfs/dbraw/zinc/68/88/00/920688800.db2.gz FWHKSCYKUMIWMM-NEPJUHHUSA-N 2 2 282.388 -0.593 20 0 CBADLP CCN1CC[C@H]([N@@H+]2CC[C@@H]2CNC(=O)CC[NH+](C)C)C1=O ZINC001499050049 920689827 /nfs/dbraw/zinc/68/98/27/920689827.db2.gz MHEHBFFKFSRFQV-OLZOCXBDSA-N 2 2 296.415 -0.251 20 0 CBADLP CCN1CC[C@H]([N@H+]2CC[C@@H]2CNC(=O)CC[NH+](C)C)C1=O ZINC001499050049 920689838 /nfs/dbraw/zinc/68/98/38/920689838.db2.gz MHEHBFFKFSRFQV-OLZOCXBDSA-N 2 2 296.415 -0.251 20 0 CBADLP Cn1ncc(C[NH2+]C2(CNC(=O)CCC[NH+](C)C)CC2)n1 ZINC001499330362 920737406 /nfs/dbraw/zinc/73/74/06/920737406.db2.gz QNECFVGYLDKWHH-UHFFFAOYSA-N 2 2 294.403 -0.105 20 0 CBADLP CC[C@H]([NH2+]C[C@@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1)C(N)=O ZINC001499935603 920789825 /nfs/dbraw/zinc/78/98/25/920789825.db2.gz IFDIKQSRZGIOHW-QWRGUYRKSA-N 2 2 293.371 -0.203 20 0 CBADLP CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001507488879 921848953 /nfs/dbraw/zinc/84/89/53/921848953.db2.gz NPZPDUOEWCVQTC-AAEUAGOBSA-N 2 2 280.372 -0.126 20 0 CBADLP [NH3+]Cc1ncc(C(=O)NCC(F)(F)C[NH3+])s1 ZINC001521518283 922365250 /nfs/dbraw/zinc/36/52/50/922365250.db2.gz BYGKMZSTCAMJQZ-UHFFFAOYSA-N 2 2 250.274 -0.074 20 0 CBADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC001521697358 922372443 /nfs/dbraw/zinc/37/24/43/922372443.db2.gz HZGGXJRUQXLIFQ-HBNTYKKESA-N 2 2 264.329 -0.372 20 0 CBADLP C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001522262784 922403492 /nfs/dbraw/zinc/40/34/92/922403492.db2.gz BNDVHRLKRMDJGL-GXSJLCMTSA-N 2 2 254.334 -0.373 20 0 CBADLP C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001522262784 922403504 /nfs/dbraw/zinc/40/35/04/922403504.db2.gz BNDVHRLKRMDJGL-GXSJLCMTSA-N 2 2 254.334 -0.373 20 0 CBADLP C[NH+](C)CCC(=O)N1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001522470788 922419023 /nfs/dbraw/zinc/41/90/23/922419023.db2.gz IVGGNNHJTYPXAS-UHFFFAOYSA-N 2 2 293.371 -0.425 20 0 CBADLP C[N@@H+]1CC[C@@H](C(=O)NCCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001522653191 922496429 /nfs/dbraw/zinc/49/64/29/922496429.db2.gz IEGKHYOHCHJICW-SNVBAGLBSA-N 2 2 279.344 -0.864 20 0 CBADLP C[N@H+]1CC[C@@H](C(=O)NCCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001522653191 922496443 /nfs/dbraw/zinc/49/64/43/922496443.db2.gz IEGKHYOHCHJICW-SNVBAGLBSA-N 2 2 279.344 -0.864 20 0 CBADLP C[N@@H+]1CC[C@H](C(=O)NCCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001522653180 922498343 /nfs/dbraw/zinc/49/83/43/922498343.db2.gz IEGKHYOHCHJICW-JTQLQIEISA-N 2 2 279.344 -0.864 20 0 CBADLP C[N@H+]1CC[C@H](C(=O)NCCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001522653180 922498350 /nfs/dbraw/zinc/49/83/50/922498350.db2.gz IEGKHYOHCHJICW-JTQLQIEISA-N 2 2 279.344 -0.864 20 0 CBADLP CC[N@H+](C)CCC(=O)N1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC001530518383 922946322 /nfs/dbraw/zinc/94/63/22/922946322.db2.gz UQSGIAWBKOPIPV-UHFFFAOYSA-N 2 2 293.371 -0.448 20 0 CBADLP CC[N@@H+](C)CCC(=O)N1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC001530518383 922946326 /nfs/dbraw/zinc/94/63/26/922946326.db2.gz UQSGIAWBKOPIPV-UHFFFAOYSA-N 2 2 293.371 -0.448 20 0 CBADLP CC[N@@H+]1CC[C@@H]1C(=O)N[C@H](C)[C@@H]1C[NH+](C)CCN1C ZINC001544138703 923299863 /nfs/dbraw/zinc/29/98/63/923299863.db2.gz DPMNEDVLSXWLGU-UPJWGTAASA-N 2 2 268.405 -0.169 20 0 CBADLP CC[N@H+]1CC[C@@H]1C(=O)N[C@H](C)[C@@H]1C[NH+](C)CCN1C ZINC001544138703 923299878 /nfs/dbraw/zinc/29/98/78/923299878.db2.gz DPMNEDVLSXWLGU-UPJWGTAASA-N 2 2 268.405 -0.169 20 0 CBADLP CC[NH+]1CC[C@@H]1C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC001544138703 923299898 /nfs/dbraw/zinc/29/98/98/923299898.db2.gz DPMNEDVLSXWLGU-UPJWGTAASA-N 2 2 268.405 -0.169 20 0 CBADLP CC[NH+]1CC[C@@H]1C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC001544138703 923299914 /nfs/dbraw/zinc/29/99/14/923299914.db2.gz DPMNEDVLSXWLGU-UPJWGTAASA-N 2 2 268.405 -0.169 20 0 CBADLP CN1CC[NH2+]C[C@H]1C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC001548550049 923375897 /nfs/dbraw/zinc/37/58/97/923375897.db2.gz XJJQNBHSHZPVCT-KGLIPLIRSA-N 2 2 296.415 -0.787 20 0 CBADLP O=C(NCCn1cc[nH+]c1)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC001548549862 923377576 /nfs/dbraw/zinc/37/75/76/923377576.db2.gz NTMYZGGPWBOWCW-CYBMUJFWSA-N 2 2 277.328 -0.102 20 0 CBADLP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC001548567772 923388707 /nfs/dbraw/zinc/38/87/07/923388707.db2.gz AOOALZFQNNXZEY-AVGNSLFASA-N 2 2 285.388 -0.864 20 0 CBADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)[C@]12C[NH2+]C[C@H]1CCO2 ZINC001548569005 923391160 /nfs/dbraw/zinc/39/11/60/923391160.db2.gz KWAOLODJDXXMOJ-COMQUAJESA-N 2 2 297.399 -0.410 20 0 CBADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)[C@]12C[NH2+]C[C@H]1CCO2 ZINC001548569005 923391176 /nfs/dbraw/zinc/39/11/76/923391176.db2.gz KWAOLODJDXXMOJ-COMQUAJESA-N 2 2 297.399 -0.410 20 0 CBADLP Cc1cccn2cc(CC(=O)N[C@@H]3C[NH2+]C[C@@H]3O)[nH+]c12 ZINC001548572343 923397262 /nfs/dbraw/zinc/39/72/62/923397262.db2.gz IWLGXVUGNLQHAR-NEPJUHHUSA-N 2 2 274.324 -0.366 20 0 CBADLP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCCc1c[nH+]cn1C ZINC001548683260 923447670 /nfs/dbraw/zinc/44/76/70/923447670.db2.gz UWVJWUBDXHHSBU-YPMHNXCESA-N 2 2 277.372 -0.533 20 0 CBADLP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCCc1c[nH+]cn1C ZINC001548683260 923447678 /nfs/dbraw/zinc/44/76/78/923447678.db2.gz UWVJWUBDXHHSBU-YPMHNXCESA-N 2 2 277.372 -0.533 20 0 CBADLP C[NH+](C)C[C@]1(O)CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001548745366 923491982 /nfs/dbraw/zinc/49/19/82/923491982.db2.gz PCQUSVXOBGLEBI-SWLSCSKDSA-N 2 2 292.383 -0.030 20 0 CBADLP O=C1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[N@@H+]2CC[C@@H](O)C2)N1 ZINC001549077163 923552283 /nfs/dbraw/zinc/55/22/83/923552283.db2.gz XZPLPJUORKBXRI-LPWJVIDDSA-N 2 2 267.373 -0.158 20 0 CBADLP O=C1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[N@H+]2CC[C@@H](O)C2)N1 ZINC001549077163 923552293 /nfs/dbraw/zinc/55/22/93/923552293.db2.gz XZPLPJUORKBXRI-LPWJVIDDSA-N 2 2 267.373 -0.158 20 0 CBADLP O=C1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[N@@H+]2CC[C@H](O)C2)N1 ZINC001549077164 923552681 /nfs/dbraw/zinc/55/26/81/923552681.db2.gz XZPLPJUORKBXRI-XQHKEYJVSA-N 2 2 267.373 -0.158 20 0 CBADLP O=C1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[N@H+]2CC[C@H](O)C2)N1 ZINC001549077164 923552694 /nfs/dbraw/zinc/55/26/94/923552694.db2.gz XZPLPJUORKBXRI-XQHKEYJVSA-N 2 2 267.373 -0.158 20 0 CBADLP C[C@H](NC(=O)C[N@@H+]1C[C@@H]2CCC[C@@]2(C[NH3+])C1)C(=O)N(C)C ZINC001549116688 923557527 /nfs/dbraw/zinc/55/75/27/923557527.db2.gz OARUSRYTRQSOJY-SLEUVZQESA-N 2 2 296.415 -0.360 20 0 CBADLP C[C@H](NC(=O)C[N@H+]1C[C@@H]2CCC[C@@]2(C[NH3+])C1)C(=O)N(C)C ZINC001549116688 923557540 /nfs/dbraw/zinc/55/75/40/923557540.db2.gz OARUSRYTRQSOJY-SLEUVZQESA-N 2 2 296.415 -0.360 20 0 CBADLP CO[C@H]1C[C@H](C(=O)NC2CC([NH+]3CCOCC3)C2)[N@H+](C)C1 ZINC001549624174 923617728 /nfs/dbraw/zinc/61/77/28/923617728.db2.gz PDPDXQXCCHXDID-CLRIEMFWSA-N 2 2 297.399 -0.315 20 0 CBADLP CO[C@H]1C[C@H](C(=O)NC2CC([NH+]3CCOCC3)C2)[N@@H+](C)C1 ZINC001549624174 923617736 /nfs/dbraw/zinc/61/77/36/923617736.db2.gz PDPDXQXCCHXDID-CLRIEMFWSA-N 2 2 297.399 -0.315 20 0 CBADLP C[NH+](C)[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1n1ccnn1 ZINC001549672542 923625223 /nfs/dbraw/zinc/62/52/23/923625223.db2.gz QYZGXGODYNHPMZ-NWDGAFQWSA-N 2 2 289.343 -0.512 20 0 CBADLP Cn1cnc([C@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]2[NH3+])c1 ZINC001549746207 923639051 /nfs/dbraw/zinc/63/90/51/923639051.db2.gz HXXGARRQQSSXPL-NWDGAFQWSA-N 2 2 288.355 -0.040 20 0 CBADLP C[C@@H](C(=O)NCC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[NH2+]CC1=O ZINC001550104478 923683432 /nfs/dbraw/zinc/68/34/32/923683432.db2.gz FIMQSNIHIVHWFJ-WODVXLOZSA-N 2 2 294.399 -0.547 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC001550238244 923712405 /nfs/dbraw/zinc/71/24/05/923712405.db2.gz ZDIHPMLFXNZWHB-OAHLLOKOSA-N 2 2 294.399 -0.590 20 0 CBADLP C[NH+](C)[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1n1ccnn1 ZINC001550409123 923726380 /nfs/dbraw/zinc/72/63/80/923726380.db2.gz VWYJNHVNLXNMLM-RYUDHWBXSA-N 2 2 289.343 -0.443 20 0 CBADLP [NH3+][C@H]1CC12CC(NC(=O)N1CC[C@@H]([NH+]3CCOCC3)C1)C2 ZINC001551572993 923805422 /nfs/dbraw/zinc/80/54/22/923805422.db2.gz DSXHKTBRUWPKNH-ICRTXTNUSA-N 2 2 294.399 -0.018 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)NC1CC2(C[C@@H]2[NH3+])C1 ZINC001551588162 923805442 /nfs/dbraw/zinc/80/54/42/923805442.db2.gz KOLTXPSPVLDWKK-LXVYMNJGSA-N 2 2 282.388 -0.160 20 0 CBADLP C[N@@H+]1CCO[C@@H]2CCN(C(=O)NC3CC4(C[C@@H]4[NH3+])C3)C[C@H]21 ZINC001551572724 923805533 /nfs/dbraw/zinc/80/55/33/923805533.db2.gz CBLIKQWRROQPMA-UNOFRPGUSA-N 2 2 294.399 -0.019 20 0 CBADLP C[N@H+]1CCO[C@@H]2CCN(C(=O)NC3CC4(C[C@@H]4[NH3+])C3)C[C@H]21 ZINC001551572724 923805541 /nfs/dbraw/zinc/80/55/41/923805541.db2.gz CBLIKQWRROQPMA-UNOFRPGUSA-N 2 2 294.399 -0.019 20 0 CBADLP C[NH+]1CCN(C(=O)c2cn([C@H]3CC[NH2+]C3)nn2)CC1 ZINC001552087482 923828794 /nfs/dbraw/zinc/82/87/94/923828794.db2.gz WQWIPZBSVRCTKO-JTQLQIEISA-N 2 2 264.333 -0.800 20 0 CBADLP C[NH+]1CCN(C(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)CC1 ZINC001552087484 923829720 /nfs/dbraw/zinc/82/97/20/923829720.db2.gz WQWIPZBSVRCTKO-SNVBAGLBSA-N 2 2 264.333 -0.800 20 0 CBADLP CC1(C)C[N@H+](CCNC(=O)[C@@]23C[NH2+]C[C@H]2COC3)CCO1 ZINC001552200953 923858150 /nfs/dbraw/zinc/85/81/50/923858150.db2.gz HXBOJZOXIMNLAX-SWLSCSKDSA-N 2 2 297.399 -0.551 20 0 CBADLP CC1(C)C[N@@H+](CCNC(=O)[C@@]23C[NH2+]C[C@H]2COC3)CCO1 ZINC001552200953 923858159 /nfs/dbraw/zinc/85/81/59/923858159.db2.gz HXBOJZOXIMNLAX-SWLSCSKDSA-N 2 2 297.399 -0.551 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@]23C[NH2+]C[C@@H]2COC3)CCO1 ZINC001552201925 923858270 /nfs/dbraw/zinc/85/82/70/923858270.db2.gz VJCQEKKMEFGDPJ-BZPMIXESSA-N 2 2 283.372 -0.941 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@]23C[NH2+]C[C@@H]2COC3)CCO1 ZINC001552201925 923858278 /nfs/dbraw/zinc/85/82/78/923858278.db2.gz VJCQEKKMEFGDPJ-BZPMIXESSA-N 2 2 283.372 -0.941 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@]23C[NH2+]C[C@H]2COC3)CCO1 ZINC001552201926 923858771 /nfs/dbraw/zinc/85/87/71/923858771.db2.gz VJCQEKKMEFGDPJ-MBNYWOFBSA-N 2 2 283.372 -0.941 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@]23C[NH2+]C[C@H]2COC3)CCO1 ZINC001552201926 923858783 /nfs/dbraw/zinc/85/87/83/923858783.db2.gz VJCQEKKMEFGDPJ-MBNYWOFBSA-N 2 2 283.372 -0.941 20 0 CBADLP Cc1[nH+]c[nH]c1CNC(=O)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552201122 923858966 /nfs/dbraw/zinc/85/89/66/923858966.db2.gz ROSUVFQETQZONI-SKDRFNHKSA-N 2 2 250.302 -0.430 20 0 CBADLP O=C(N1CC[C@H]([NH+]2CCOCC2)C1)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552218803 923870827 /nfs/dbraw/zinc/87/08/27/923870827.db2.gz XDLDGPWJMSKTPQ-KCQAQPDRSA-N 2 2 295.383 -0.845 20 0 CBADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552274242 923876902 /nfs/dbraw/zinc/87/69/02/923876902.db2.gz ZUXABQWNPYHBON-GZBFAFLISA-N 2 2 297.399 -0.551 20 0 CBADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552274242 923876911 /nfs/dbraw/zinc/87/69/11/923876911.db2.gz ZUXABQWNPYHBON-GZBFAFLISA-N 2 2 297.399 -0.551 20 0 CBADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NC1CC([NH3+])C1 ZINC001552344947 923888420 /nfs/dbraw/zinc/88/84/20/923888420.db2.gz JZAUAVCLFGGNKB-XVSSEFHLSA-N 2 2 282.388 -0.019 20 0 CBADLP C[NH+]1CCC[C@H]1c1cc(C(=O)N[C@@H]2C[N@H+](C)C[C@@H]2O)[nH]n1 ZINC001552362485 923889577 /nfs/dbraw/zinc/88/95/77/923889577.db2.gz QZARDBNPSVIEFV-AGIUHOORSA-N 2 2 293.371 -0.419 20 0 CBADLP C[NH+]1CCC[C@H]1c1cc(C(=O)N[C@@H]2C[N@@H+](C)C[C@@H]2O)[nH]n1 ZINC001552362485 923889591 /nfs/dbraw/zinc/88/95/91/923889591.db2.gz QZARDBNPSVIEFV-AGIUHOORSA-N 2 2 293.371 -0.419 20 0 CBADLP C[NH+]1C[C@@H](NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)[C@@H](O)C1 ZINC001552362485 923889606 /nfs/dbraw/zinc/88/96/06/923889606.db2.gz QZARDBNPSVIEFV-AGIUHOORSA-N 2 2 293.371 -0.419 20 0 CBADLP C[NH+]1C[C@@H](NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)[C@@H](O)C1 ZINC001552362485 923889622 /nfs/dbraw/zinc/88/96/22/923889622.db2.gz QZARDBNPSVIEFV-AGIUHOORSA-N 2 2 293.371 -0.419 20 0 CBADLP C[NH+]1CCC[C@@H]1c1cc(C(=O)N[C@H]2C[N@H+](C)C[C@@H]2O)[nH]n1 ZINC001552362494 923890000 /nfs/dbraw/zinc/89/00/00/923890000.db2.gz QZARDBNPSVIEFV-XQQFMLRXSA-N 2 2 293.371 -0.419 20 0 CBADLP C[NH+]1CCC[C@@H]1c1cc(C(=O)N[C@H]2C[N@@H+](C)C[C@@H]2O)[nH]n1 ZINC001552362494 923890015 /nfs/dbraw/zinc/89/00/15/923890015.db2.gz QZARDBNPSVIEFV-XQQFMLRXSA-N 2 2 293.371 -0.419 20 0 CBADLP C[NH+]1C[C@H](O)[C@@H](NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001552362494 923890030 /nfs/dbraw/zinc/89/00/30/923890030.db2.gz QZARDBNPSVIEFV-XQQFMLRXSA-N 2 2 293.371 -0.419 20 0 CBADLP C[NH+]1C[C@H](O)[C@@H](NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001552362494 923890044 /nfs/dbraw/zinc/89/00/44/923890044.db2.gz QZARDBNPSVIEFV-XQQFMLRXSA-N 2 2 293.371 -0.419 20 0 CBADLP C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCCC[NH2+]C2)C1 ZINC001552420207 923895678 /nfs/dbraw/zinc/89/56/78/923895678.db2.gz DZODHCPJILQRGX-NWDGAFQWSA-N 2 2 255.362 -0.177 20 0 CBADLP C[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCCC[NH2+]C2)C1 ZINC001552420207 923895689 /nfs/dbraw/zinc/89/56/89/923895689.db2.gz DZODHCPJILQRGX-NWDGAFQWSA-N 2 2 255.362 -0.177 20 0 CBADLP C[NH+](C)CCNC(=O)[C@@H]1CC[C@@H](C[NH+]2CCOCC2)O1 ZINC001553051387 923939119 /nfs/dbraw/zinc/93/91/19/923939119.db2.gz OMJGJQXXATVUGB-STQMWFEESA-N 2 2 285.388 -0.456 20 0 CBADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](C[C@H]3CCCC[NH2+]C3)CCN2C1=O ZINC001553304958 923948149 /nfs/dbraw/zinc/94/81/49/923948149.db2.gz QHHBLJPCFDTVBN-YNEHKIRRSA-N 3 2 266.389 -0.380 20 0 CBADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](C[C@H]3CCCC[NH2+]C3)CCN2C1=O ZINC001553304958 923948157 /nfs/dbraw/zinc/94/81/57/923948157.db2.gz QHHBLJPCFDTVBN-YNEHKIRRSA-N 3 2 266.389 -0.380 20 0 CBADLP O=C(NC1CC[NH2+]CC1)[C@@H]1CC[C@@H](C[NH+]2CCOCC2)O1 ZINC001553343210 923950161 /nfs/dbraw/zinc/95/01/61/923950161.db2.gz ILGQHBJHCUKZJE-KBPBESRZSA-N 2 2 297.399 -0.266 20 0 CBADLP C[C@H]([NH3+])CCNC(=O)[C@H]1CC[C@@H](C[NH+]2CCOCC2)O1 ZINC001553352152 923958189 /nfs/dbraw/zinc/95/81/89/923958189.db2.gz CDHZRRWSWFXBNC-RWMBFGLXSA-N 2 2 285.388 -0.280 20 0 CBADLP O=C(NC[C@@H]1CCC[NH2+]1)[C@H]1CC[C@@H](C[NH+]2CCOCC2)O1 ZINC001553358124 923959805 /nfs/dbraw/zinc/95/98/05/923959805.db2.gz YDAYTKWOYMMRRG-MELADBBJSA-N 2 2 297.399 -0.266 20 0 CBADLP O=C([C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001553406182 923979448 /nfs/dbraw/zinc/97/94/48/923979448.db2.gz DJWQMIMBJHEVRV-MQYQWHSLSA-N 2 2 295.383 -0.561 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1 ZINC001553409331 923983422 /nfs/dbraw/zinc/98/34/22/923983422.db2.gz NRZQXGROAFDDRT-RHYQMDGZSA-N 2 2 264.329 -0.093 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@@H]2C[C@H]3OCC[C@@H]3[NH2+]2)CC1 ZINC001553413154 923988511 /nfs/dbraw/zinc/98/85/11/923988511.db2.gz WBHIWPZAYXLBGR-RWMBFGLXSA-N 2 2 283.372 -0.704 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1C[C@H]2CC[C@]2([NH3+])C1 ZINC001553427649 923996927 /nfs/dbraw/zinc/99/69/27/923996927.db2.gz RIAYWWRSUXMABD-BZPMIXESSA-N 2 2 282.388 -0.160 20 0 CBADLP CN(CCn1cc[nH+]c1)C(=O)[C@@H]1C[C@H]2OCC[C@@H]2[NH2+]1 ZINC001553430179 923998652 /nfs/dbraw/zinc/99/86/52/923998652.db2.gz UGYNDBHVPACODR-SDDRHHMPSA-N 2 2 264.329 -0.139 20 0 CBADLP C[N@@H+]1CCO[C@H](CNC(=O)N2CCC[C@]23CC[NH2+]C3)C1 ZINC001553441127 924000698 /nfs/dbraw/zinc/00/06/98/924000698.db2.gz BSLUSNMDOQJTCZ-TZMCWYRMSA-N 2 2 282.388 -0.146 20 0 CBADLP C[N@H+]1CCO[C@H](CNC(=O)N2CCC[C@]23CC[NH2+]C3)C1 ZINC001553441127 924000713 /nfs/dbraw/zinc/00/07/13/924000713.db2.gz BSLUSNMDOQJTCZ-TZMCWYRMSA-N 2 2 282.388 -0.146 20 0 CBADLP C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC[C@@]23CC[NH2+]C3)C1 ZINC001553441124 924002472 /nfs/dbraw/zinc/00/24/72/924002472.db2.gz BSLUSNMDOQJTCZ-JSGCOSHPSA-N 2 2 282.388 -0.146 20 0 CBADLP C[N@H+]1CCO[C@@H](CNC(=O)N2CCC[C@@]23CC[NH2+]C3)C1 ZINC001553441124 924002481 /nfs/dbraw/zinc/00/24/81/924002481.db2.gz BSLUSNMDOQJTCZ-JSGCOSHPSA-N 2 2 282.388 -0.146 20 0 CBADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)N1C[C@@H]2[C@@H](C[NH3+])[C@@H]2C1 ZINC001553524546 924024026 /nfs/dbraw/zinc/02/40/26/924024026.db2.gz DXVOLUXGQKGIMK-XDQVBPFNSA-N 2 2 296.415 -0.057 20 0 CBADLP C[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC001558502514 924178222 /nfs/dbraw/zinc/17/82/22/924178222.db2.gz GHXCQCXQYKMADU-WDEREUQCSA-N 2 2 255.362 -0.227 20 0 CBADLP C[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC001558502514 924178234 /nfs/dbraw/zinc/17/82/34/924178234.db2.gz GHXCQCXQYKMADU-WDEREUQCSA-N 2 2 255.362 -0.227 20 0 CBADLP C[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C(C)(C)C1 ZINC001558502514 924178241 /nfs/dbraw/zinc/17/82/41/924178241.db2.gz GHXCQCXQYKMADU-WDEREUQCSA-N 2 2 255.362 -0.227 20 0 CBADLP C[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C(C)(C)C1 ZINC001558502514 924178247 /nfs/dbraw/zinc/17/82/47/924178247.db2.gz GHXCQCXQYKMADU-WDEREUQCSA-N 2 2 255.362 -0.227 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001558550945 924185399 /nfs/dbraw/zinc/18/53/99/924185399.db2.gz KRSRHIKNGDBYRS-SECBINFHSA-N 2 2 250.302 -0.459 20 0 CBADLP CNC(=O)C[C@H](C)[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000576391709 335197283 /nfs/dbraw/zinc/19/72/83/335197283.db2.gz VYZNTWUBEHBNMI-LOWDOPEQSA-N 2 2 287.404 -0.429 20 0 CBADLP CC[NH+](CC)CC(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000337540630 214145766 /nfs/dbraw/zinc/14/57/66/214145766.db2.gz YYUQFOUWZLHTHL-UHFFFAOYSA-N 2 2 294.403 -0.236 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)CC1 ZINC000125341695 187180674 /nfs/dbraw/zinc/18/06/74/187180674.db2.gz JMCYQVYBBBMFOT-XQQFMLRXSA-N 2 2 267.373 -0.537 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)CC1 ZINC000125341695 187180675 /nfs/dbraw/zinc/18/06/75/187180675.db2.gz JMCYQVYBBBMFOT-XQQFMLRXSA-N 2 2 267.373 -0.537 20 0 CBADLP Cn1ncc2c1nc[nH+]c2NC[C@]1(O)CC[N@H+](C)C1 ZINC000337785723 214260762 /nfs/dbraw/zinc/26/07/62/214260762.db2.gz BEAKELUGJYITGP-GFCCVEGCSA-N 2 2 262.317 -0.158 20 0 CBADLP Cn1ncc2c1nc[nH+]c2NC[C@]1(O)CC[N@@H+](C)C1 ZINC000337785723 214260763 /nfs/dbraw/zinc/26/07/63/214260763.db2.gz BEAKELUGJYITGP-GFCCVEGCSA-N 2 2 262.317 -0.158 20 0 CBADLP C[C@H]([C@H](C)NC(=O)[C@]1(F)CC[NH2+]C1)[NH+]1CCOCC1 ZINC000378209089 230317195 /nfs/dbraw/zinc/31/71/95/230317195.db2.gz XEMMFZFLDJLAPW-LOWVWBTDSA-N 2 2 273.352 -0.087 20 0 CBADLP C[C@H](NC(=O)C=Cc1c[nH]c[nH+]1)C(=O)NCC[NH+](C)C ZINC000493744179 230338505 /nfs/dbraw/zinc/33/85/05/230338505.db2.gz FTOLPRQZOJNKIW-YEZKRMTDSA-N 2 2 279.344 -0.395 20 0 CBADLP C[C@H]1CC[NH2+][C@H](C(=O)NCC[NH+]2CCOCC2)C1 ZINC000126012948 187210789 /nfs/dbraw/zinc/21/07/89/187210789.db2.gz HZJGLPUATBHNMW-RYUDHWBXSA-N 2 2 255.362 -0.177 20 0 CBADLP CN1CCN(c2cc(N3CC[NH+](C)CC3)nc[nH+]2)CC1=O ZINC000274326748 352534831 /nfs/dbraw/zinc/53/48/31/352534831.db2.gz DVMHENDEOXKJLD-UHFFFAOYSA-N 2 2 290.371 -0.493 20 0 CBADLP C[NH+]1CCN(CCCNC(=O)[C@@H]2CSC[NH2+]2)CC1 ZINC000040808759 529771306 /nfs/dbraw/zinc/77/13/06/529771306.db2.gz KIFPSICPCXBLDF-NSHDSACASA-N 2 2 272.418 -0.597 20 0 CBADLP CN1CC[NH+](CCCNC(=O)[C@@H]2CSC[NH2+]2)CC1 ZINC000040808759 529771308 /nfs/dbraw/zinc/77/13/08/529771308.db2.gz KIFPSICPCXBLDF-NSHDSACASA-N 2 2 272.418 -0.597 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[NH+]3CCCC[C@@H]3CO2)C1 ZINC000378290708 529787511 /nfs/dbraw/zinc/78/75/11/529787511.db2.gz HHYCHTGAQUFDJR-RDBSUJKOSA-N 2 2 297.399 -0.314 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[NH+]3CCCC[C@@H]3CO2)C1 ZINC000378290708 529787512 /nfs/dbraw/zinc/78/75/12/529787512.db2.gz HHYCHTGAQUFDJR-RDBSUJKOSA-N 2 2 297.399 -0.314 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)NC[C@H]2C[N@@H+]3CCCC[C@@H]3CO2)C1 ZINC000378290708 529787513 /nfs/dbraw/zinc/78/75/13/529787513.db2.gz HHYCHTGAQUFDJR-RDBSUJKOSA-N 2 2 297.399 -0.314 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)NC[C@H]2C[N@H+]3CCCC[C@@H]3CO2)C1 ZINC000378290708 529787514 /nfs/dbraw/zinc/78/75/14/529787514.db2.gz HHYCHTGAQUFDJR-RDBSUJKOSA-N 2 2 297.399 -0.314 20 0 CBADLP C[C@H](C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1)[NH+]1CCOCC1 ZINC000351534549 219118385 /nfs/dbraw/zinc/11/83/85/219118385.db2.gz DAVRXHWSXCLIEB-YVECIDJPSA-N 2 2 267.373 -0.097 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3CSC[NH2+]3)C2)CC1 ZINC000377199297 530049815 /nfs/dbraw/zinc/04/98/15/530049815.db2.gz UGPVRJKFRCTOGM-AAEUAGOBSA-N 3 2 298.456 -0.066 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3CSC[NH2+]3)C2)CC1 ZINC000377199297 530049816 /nfs/dbraw/zinc/04/98/16/530049816.db2.gz UGPVRJKFRCTOGM-AAEUAGOBSA-N 3 2 298.456 -0.066 20 0 CBADLP C[C@H](C(=O)N1CC[NH2+]C[C@H]1C(F)F)N1CC[NH+](C)CC1 ZINC000573728035 334961589 /nfs/dbraw/zinc/96/15/89/334961589.db2.gz VTNXQUSGQZIKFE-MNOVXSKESA-N 2 2 290.358 -0.312 20 0 CBADLP CC[NH+](CC)CC(=O)N1CC[NH+]([C@H](C)C(=O)N(C)C)CC1 ZINC000351782271 219205309 /nfs/dbraw/zinc/20/53/09/219205309.db2.gz PNRHXOLBBDKPHR-CYBMUJFWSA-N 2 2 298.431 -0.051 20 0 CBADLP C[C@@H](C(=O)NC(C)(C)C)[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000051762820 295764593 /nfs/dbraw/zinc/76/45/93/295764593.db2.gz CONDQYCQGGNGBB-LBPRGKRZSA-N 2 2 298.431 -0.005 20 0 CBADLP COCC[N@H+](C)CCNC(=O)NCC[NH+]1CCOCC1 ZINC000339317036 215092346 /nfs/dbraw/zinc/09/23/46/215092346.db2.gz XSHCCESBCGMYAS-UHFFFAOYSA-N 2 2 288.392 -0.804 20 0 CBADLP COCC[N@@H+](C)CCNC(=O)NCC[NH+]1CCOCC1 ZINC000339317036 215092350 /nfs/dbraw/zinc/09/23/50/215092350.db2.gz XSHCCESBCGMYAS-UHFFFAOYSA-N 2 2 288.392 -0.804 20 0 CBADLP O=C(C[C@H]1CSCC[NH2+]1)NCC[NH+]1CCOCC1 ZINC000091134107 180102923 /nfs/dbraw/zinc/10/29/23/180102923.db2.gz IWGBTVYAYRVWRS-NSHDSACASA-N 2 2 273.402 -0.470 20 0 CBADLP CC(C)[C@@H]([NH3+])C(=O)NCC(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000352092812 219319067 /nfs/dbraw/zinc/31/90/67/219319067.db2.gz YNKZFWJUJGNAFD-WCQYABFASA-N 2 2 295.387 -0.265 20 0 CBADLP CN(CC[NH+]1CCCC1)C(=O)C(=O)NCCn1cc[nH+]c1 ZINC000339707453 215308455 /nfs/dbraw/zinc/30/84/55/215308455.db2.gz DJWQDRDPBILJCB-UHFFFAOYSA-N 2 2 293.371 -0.447 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)C(=O)NCCn2cc[nH+]c2)CCC[N@@H+]1C ZINC000339710016 215308606 /nfs/dbraw/zinc/30/86/06/215308606.db2.gz IIBQYTCLHRTXDX-NEPJUHHUSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)C(=O)NCCn2cc[nH+]c2)CCC[N@H+]1C ZINC000339710016 215308609 /nfs/dbraw/zinc/30/86/09/215308609.db2.gz IIBQYTCLHRTXDX-NEPJUHHUSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)NCCn1cc[nH+]c1 ZINC000339712674 215310351 /nfs/dbraw/zinc/31/03/51/215310351.db2.gz QHFLNNQPQUHHGG-GFCCVEGCSA-N 2 2 293.371 -0.448 20 0 CBADLP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NCCn1cc[nH+]c1 ZINC000339712674 215310353 /nfs/dbraw/zinc/31/03/53/215310353.db2.gz QHFLNNQPQUHHGG-GFCCVEGCSA-N 2 2 293.371 -0.448 20 0 CBADLP COCCCNC(=O)[C@H](C)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000107577203 186179804 /nfs/dbraw/zinc/17/98/04/186179804.db2.gz RYXISBQCNAIJGI-QJPTWQEYSA-N 2 2 255.362 -0.321 20 0 CBADLP O=C(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)NC(=O)NC1CC1 ZINC000107575546 186180146 /nfs/dbraw/zinc/18/01/46/186180146.db2.gz LURHHKMBPRDWQF-DTORHVGOSA-N 2 2 252.318 -0.874 20 0 CBADLP O=C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)NC(=O)NC1CC1 ZINC000107575546 186180148 /nfs/dbraw/zinc/18/01/48/186180148.db2.gz LURHHKMBPRDWQF-DTORHVGOSA-N 2 2 252.318 -0.874 20 0 CBADLP CCCCNC(=O)NC(=O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000107579616 186180353 /nfs/dbraw/zinc/18/03/53/186180353.db2.gz JIHKOTLFUXYGIE-QWRGUYRKSA-N 2 2 268.361 -0.237 20 0 CBADLP CCCCNC(=O)NC(=O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107579610 186181061 /nfs/dbraw/zinc/18/10/61/186181061.db2.gz JIHKOTLFUXYGIE-PHIMTYICSA-N 2 2 268.361 -0.237 20 0 CBADLP CCCCNC(=O)NC(=O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107579610 186181062 /nfs/dbraw/zinc/18/10/62/186181062.db2.gz JIHKOTLFUXYGIE-PHIMTYICSA-N 2 2 268.361 -0.237 20 0 CBADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)[C@@H]1CCOC1 ZINC000129952054 282707646 /nfs/dbraw/zinc/70/76/46/282707646.db2.gz MWKGFPGVTOZPDR-VXGBXAGGSA-N 2 2 255.362 -0.225 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)Cn2cc[nH+]c2)CC1 ZINC000573857638 334972105 /nfs/dbraw/zinc/97/21/05/334972105.db2.gz BBSJUXHTUBPFPH-UHFFFAOYSA-N 2 2 279.344 -0.837 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](O)CC2)CC1 ZINC000339778366 215339092 /nfs/dbraw/zinc/33/90/92/215339092.db2.gz FRMFYYDFPGIQBC-GFCCVEGCSA-N 2 2 255.362 -0.393 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](O)CC2)CC1 ZINC000339778366 215339095 /nfs/dbraw/zinc/33/90/95/215339095.db2.gz FRMFYYDFPGIQBC-GFCCVEGCSA-N 2 2 255.362 -0.393 20 0 CBADLP CN(CC(=O)N1CC[NH2+]CC1)C(=O)CCn1cc[nH+]c1 ZINC000036285721 351389884 /nfs/dbraw/zinc/38/98/84/351389884.db2.gz JSWDVBRIHFTQTH-UHFFFAOYSA-N 2 2 279.344 -0.837 20 0 CBADLP C[N@@H+]1CCN(C(=O)C(=O)NCC[NH3+])[C@H](c2ccccc2)C1 ZINC000037243373 351398310 /nfs/dbraw/zinc/39/83/10/351398310.db2.gz KHQKZAPOFDCXPV-ZDUSSCGKSA-N 2 2 290.367 -0.423 20 0 CBADLP C[N@H+]1CCN(C(=O)C(=O)NCC[NH3+])[C@H](c2ccccc2)C1 ZINC000037243373 351398314 /nfs/dbraw/zinc/39/83/14/351398314.db2.gz KHQKZAPOFDCXPV-ZDUSSCGKSA-N 2 2 290.367 -0.423 20 0 CBADLP [NH3+]CCCC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000019688065 351350728 /nfs/dbraw/zinc/35/07/28/351350728.db2.gz LNPZZQWGYZAODG-UHFFFAOYSA-N 2 2 282.388 -0.508 20 0 CBADLP O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CCN(c2cccc[nH+]2)CC1 ZINC000020434229 351353674 /nfs/dbraw/zinc/35/36/74/351353674.db2.gz AZGWEGIYGNQMSY-VXGBXAGGSA-N 2 2 276.340 -0.547 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C[C@H]1CCC[NH2+]1 ZINC000042166536 351428147 /nfs/dbraw/zinc/42/81/47/351428147.db2.gz CZJPEGMLSJWXMV-NWDGAFQWSA-N 2 2 255.362 -0.035 20 0 CBADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000042248638 351428929 /nfs/dbraw/zinc/42/89/29/351428929.db2.gz YKIOXQSPXAAYJQ-LLVKDONJSA-N 2 2 282.388 -0.641 20 0 CBADLP C[C@H]1CCCN(C(=O)C[N@H+](C)CC(=O)N2CC[NH2+]CC2)C1 ZINC000038031443 351413131 /nfs/dbraw/zinc/41/31/31/351413131.db2.gz JDIVJQOMLQMGKS-ZDUSSCGKSA-N 2 2 296.415 -0.392 20 0 CBADLP C[C@H]1CCCN(C(=O)C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)C1 ZINC000038031443 351413133 /nfs/dbraw/zinc/41/31/33/351413133.db2.gz JDIVJQOMLQMGKS-ZDUSSCGKSA-N 2 2 296.415 -0.392 20 0 CBADLP CO[C@@H]1C[NH2+][C@@H](C(=O)NCCCn2cc[nH+]c2)C1 ZINC000040631363 351417010 /nfs/dbraw/zinc/41/70/10/351417010.db2.gz RNYJQCZUVVQYHR-WDEREUQCSA-N 2 2 252.318 -0.234 20 0 CBADLP C[C@H]([NH3+])C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000040856517 351420653 /nfs/dbraw/zinc/42/06/53/351420653.db2.gz RBNMQGMSZPPPLO-JTQLQIEISA-N 2 2 264.329 -0.118 20 0 CBADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000051762384 351512650 /nfs/dbraw/zinc/51/26/50/351512650.db2.gz HEDVPWHDCLZOPH-CYBMUJFWSA-N 2 2 296.415 -0.297 20 0 CBADLP C[NH2+]CC1CC[NH+](Cc2nc(N)nc(N(C)C)n2)CC1 ZINC000063165819 351578877 /nfs/dbraw/zinc/57/88/77/351578877.db2.gz JRPVDRQJOQVGRU-UHFFFAOYSA-N 2 2 279.392 -0.049 20 0 CBADLP CC(=O)N(C)CC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000058970471 351561211 /nfs/dbraw/zinc/56/12/11/351561211.db2.gz QIFNCXDDAOUHMW-UHFFFAOYSA-N 2 2 298.431 -0.051 20 0 CBADLP CC(=O)N(C)CC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000058970471 351561216 /nfs/dbraw/zinc/56/12/16/351561216.db2.gz QIFNCXDDAOUHMW-UHFFFAOYSA-N 2 2 298.431 -0.051 20 0 CBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)S(C)(=O)=O ZINC000070262503 351638099 /nfs/dbraw/zinc/63/80/99/351638099.db2.gz IWXBMWNEOYMMOE-UHFFFAOYSA-N 2 2 263.407 -0.096 20 0 CBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)S(C)(=O)=O ZINC000070262503 351638102 /nfs/dbraw/zinc/63/81/02/351638102.db2.gz IWXBMWNEOYMMOE-UHFFFAOYSA-N 2 2 263.407 -0.096 20 0 CBADLP CC(C)OC[C@@H](O)C[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000068805207 351621629 /nfs/dbraw/zinc/62/16/29/351621629.db2.gz CFSHRDHHLNNZMS-OLZOCXBDSA-N 2 2 259.394 -0.392 20 0 CBADLP CC(C)OC[C@@H](O)C[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000068805207 351621632 /nfs/dbraw/zinc/62/16/32/351621632.db2.gz CFSHRDHHLNNZMS-OLZOCXBDSA-N 2 2 259.394 -0.392 20 0 CBADLP CC(C)OC[C@H](O)C[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000068805210 351622534 /nfs/dbraw/zinc/62/25/34/351622534.db2.gz CFSHRDHHLNNZMS-QWHCGFSZSA-N 2 2 259.394 -0.392 20 0 CBADLP CC(C)OC[C@H](O)C[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000068805210 351622535 /nfs/dbraw/zinc/62/25/35/351622535.db2.gz CFSHRDHHLNNZMS-QWHCGFSZSA-N 2 2 259.394 -0.392 20 0 CBADLP CN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CCC[N@H+](C)C1 ZINC000081454123 351707897 /nfs/dbraw/zinc/70/78/97/351707897.db2.gz SQPJWZANGNYUOO-RYUDHWBXSA-N 2 2 255.362 -0.130 20 0 CBADLP CN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CCC[N@@H+](C)C1 ZINC000081454123 351707899 /nfs/dbraw/zinc/70/78/99/351707899.db2.gz SQPJWZANGNYUOO-RYUDHWBXSA-N 2 2 255.362 -0.130 20 0 CBADLP CN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@H]1CCC[NH+](C)C1 ZINC000081454123 351707901 /nfs/dbraw/zinc/70/79/01/351707901.db2.gz SQPJWZANGNYUOO-RYUDHWBXSA-N 2 2 255.362 -0.130 20 0 CBADLP CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@H]1CCC[NH+](C)C1 ZINC000081454123 351707903 /nfs/dbraw/zinc/70/79/03/351707903.db2.gz SQPJWZANGNYUOO-RYUDHWBXSA-N 2 2 255.362 -0.130 20 0 CBADLP CNC(=O)[C@H]1CCC[N@@H+]1CCC[NH+]1CCC[C@H]1C(=O)NC ZINC000077269413 351680945 /nfs/dbraw/zinc/68/09/45/351680945.db2.gz LWQZWBULDXPDLD-BETUJISGSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)[C@H]1CCC[N@H+]1CCC[NH+]1CCC[C@H]1C(=O)NC ZINC000077269413 351680947 /nfs/dbraw/zinc/68/09/47/351680947.db2.gz LWQZWBULDXPDLD-BETUJISGSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)[C@H]1CCC[NH+]1CCC[N@@H+]1CCC[C@H]1C(=O)NC ZINC000077269413 351680949 /nfs/dbraw/zinc/68/09/49/351680949.db2.gz LWQZWBULDXPDLD-BETUJISGSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)[C@H]1CCC[NH+]1CCC[N@H+]1CCC[C@H]1C(=O)NC ZINC000077269413 351680950 /nfs/dbraw/zinc/68/09/50/351680950.db2.gz LWQZWBULDXPDLD-BETUJISGSA-N 2 2 296.415 -0.203 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000081257323 351704780 /nfs/dbraw/zinc/70/47/80/351704780.db2.gz CPEJQGFWHMUAFR-GHMZBOCLSA-N 2 2 252.318 -0.282 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000081257323 351704782 /nfs/dbraw/zinc/70/47/82/351704782.db2.gz CPEJQGFWHMUAFR-GHMZBOCLSA-N 2 2 252.318 -0.282 20 0 CBADLP CN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CCC[N@H+](C)C1 ZINC000081454124 351707818 /nfs/dbraw/zinc/70/78/18/351707818.db2.gz SQPJWZANGNYUOO-NEPJUHHUSA-N 2 2 255.362 -0.130 20 0 CBADLP CN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CCC[N@@H+](C)C1 ZINC000081454124 351707821 /nfs/dbraw/zinc/70/78/21/351707821.db2.gz SQPJWZANGNYUOO-NEPJUHHUSA-N 2 2 255.362 -0.130 20 0 CBADLP CN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@@H]1CCC[NH+](C)C1 ZINC000081454124 351707824 /nfs/dbraw/zinc/70/78/24/351707824.db2.gz SQPJWZANGNYUOO-NEPJUHHUSA-N 2 2 255.362 -0.130 20 0 CBADLP CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@@H]1CCC[NH+](C)C1 ZINC000081454124 351707828 /nfs/dbraw/zinc/70/78/28/351707828.db2.gz SQPJWZANGNYUOO-NEPJUHHUSA-N 2 2 255.362 -0.130 20 0 CBADLP O=C([C@@H]1COCC[NH2+]1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000088370785 351724385 /nfs/dbraw/zinc/72/43/85/351724385.db2.gz WWSSIUXZLSXKLN-RYUDHWBXSA-N 2 2 253.346 -0.329 20 0 CBADLP O=C([C@@H]1COCC[NH2+]1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000088370785 351724387 /nfs/dbraw/zinc/72/43/87/351724387.db2.gz WWSSIUXZLSXKLN-RYUDHWBXSA-N 2 2 253.346 -0.329 20 0 CBADLP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]1COCC[NH2+]1 ZINC000092629911 351752236 /nfs/dbraw/zinc/75/22/36/351752236.db2.gz PZZCNPUXBGIBIA-NEPJUHHUSA-N 2 2 255.362 -0.083 20 0 CBADLP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]1COCC[NH2+]1 ZINC000092629911 351752238 /nfs/dbraw/zinc/75/22/38/351752238.db2.gz PZZCNPUXBGIBIA-NEPJUHHUSA-N 2 2 255.362 -0.083 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000109789252 351798075 /nfs/dbraw/zinc/79/80/75/351798075.db2.gz PYBGUSCVZBYFIO-LBPRGKRZSA-N 2 2 296.415 -0.264 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000093157746 351756977 /nfs/dbraw/zinc/75/69/77/351756977.db2.gz OMWYRPRORLHRSU-UHFFFAOYSA-N 2 2 255.362 -0.129 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CCOC(C)(C)C2)CC1 ZINC000093157746 351756979 /nfs/dbraw/zinc/75/69/79/351756979.db2.gz OMWYRPRORLHRSU-UHFFFAOYSA-N 2 2 255.362 -0.129 20 0 CBADLP CCCNC(=O)C[N@H+](CCC)CC(=O)N1CC[NH+](C)CC1 ZINC000093159580 351757564 /nfs/dbraw/zinc/75/75/64/351757564.db2.gz HPBAZAPWNABRCV-UHFFFAOYSA-N 2 2 298.431 -0.001 20 0 CBADLP CCCNC(=O)C[N@@H+](CCC)CC(=O)N1CC[NH+](C)CC1 ZINC000093159580 351757565 /nfs/dbraw/zinc/75/75/65/351757565.db2.gz HPBAZAPWNABRCV-UHFFFAOYSA-N 2 2 298.431 -0.001 20 0 CBADLP CCC(=O)N1CCC[N@H+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000093159628 351757615 /nfs/dbraw/zinc/75/76/15/351757615.db2.gz YVIFBNQDJGASDB-UHFFFAOYSA-N 2 2 296.415 -0.295 20 0 CBADLP CCC(=O)N1CCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000093159628 351757619 /nfs/dbraw/zinc/75/76/19/351757619.db2.gz YVIFBNQDJGASDB-UHFFFAOYSA-N 2 2 296.415 -0.295 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)CC1 ZINC000093174549 351757860 /nfs/dbraw/zinc/75/78/60/351757860.db2.gz RIFFPLBTWWTEMX-NNQSOWQGSA-N 2 2 281.400 -0.147 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3O)CC1 ZINC000093174549 351757862 /nfs/dbraw/zinc/75/78/62/351757862.db2.gz RIFFPLBTWWTEMX-NNQSOWQGSA-N 2 2 281.400 -0.147 20 0 CBADLP COCCC[N@H+](CCOC)CC(=O)N1CC[NH+](C)CC1 ZINC000093159652 351758515 /nfs/dbraw/zinc/75/85/15/351758515.db2.gz YYNNELMNDMTKHT-UHFFFAOYSA-N 2 2 287.404 -0.255 20 0 CBADLP COCCC[N@@H+](CCOC)CC(=O)N1CC[NH+](C)CC1 ZINC000093159652 351758519 /nfs/dbraw/zinc/75/85/19/351758519.db2.gz YYNNELMNDMTKHT-UHFFFAOYSA-N 2 2 287.404 -0.255 20 0 CBADLP C[C@@H]1C[N@H+](CC(=O)NC(=O)NC2CC2)CC[C@@H]1[NH3+] ZINC000094341890 351763982 /nfs/dbraw/zinc/76/39/82/351763982.db2.gz AGSOQUWNIPLLHY-SCZZXKLOSA-N 2 2 254.334 -0.356 20 0 CBADLP C[C@@H]1C[N@@H+](CC(=O)NC(=O)NC2CC2)CC[C@@H]1[NH3+] ZINC000094341890 351763985 /nfs/dbraw/zinc/76/39/85/351763985.db2.gz AGSOQUWNIPLLHY-SCZZXKLOSA-N 2 2 254.334 -0.356 20 0 CBADLP C[C@@H](C(=O)NC(N)=O)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118843570 351829671 /nfs/dbraw/zinc/82/96/71/351829671.db2.gz METGSSYEXKDGGU-VHSXEESVSA-N 2 2 256.350 -0.157 20 0 CBADLP C[C@@H](C(=O)NC(N)=O)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118843570 351829674 /nfs/dbraw/zinc/82/96/74/351829674.db2.gz METGSSYEXKDGGU-VHSXEESVSA-N 2 2 256.350 -0.157 20 0 CBADLP C[C@@H](C(=O)NC(N)=O)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118843570 351829677 /nfs/dbraw/zinc/82/96/77/351829677.db2.gz METGSSYEXKDGGU-VHSXEESVSA-N 2 2 256.350 -0.157 20 0 CBADLP C[C@@H](C(=O)NC(N)=O)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118843570 351829681 /nfs/dbraw/zinc/82/96/81/351829681.db2.gz METGSSYEXKDGGU-VHSXEESVSA-N 2 2 256.350 -0.157 20 0 CBADLP NC(=O)[C@H]1CCC[N@@H+]1C/C=C/C[NH+]1CCC[C@H]1C(N)=O ZINC000112980234 351812238 /nfs/dbraw/zinc/81/22/38/351812238.db2.gz JESWDCONLJRVHT-ZRGSSGQVSA-N 2 2 280.372 -0.558 20 0 CBADLP NC(=O)[C@H]1CCC[NH+]1C/C=C/C[N@@H+]1CCC[C@H]1C(N)=O ZINC000112980234 351812247 /nfs/dbraw/zinc/81/22/47/351812247.db2.gz JESWDCONLJRVHT-ZRGSSGQVSA-N 2 2 280.372 -0.558 20 0 CBADLP NC(=O)[C@H]1CCC[NH+]1C/C=C/C[N@H+]1CCC[C@H]1C(N)=O ZINC000112980234 351812249 /nfs/dbraw/zinc/81/22/49/351812249.db2.gz JESWDCONLJRVHT-ZRGSSGQVSA-N 2 2 280.372 -0.558 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113516465 351815135 /nfs/dbraw/zinc/81/51/35/351815135.db2.gz COIGORWQVMWXBS-CYBMUJFWSA-N 2 2 298.431 -0.146 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113516465 351815137 /nfs/dbraw/zinc/81/51/37/351815137.db2.gz COIGORWQVMWXBS-CYBMUJFWSA-N 2 2 298.431 -0.146 20 0 CBADLP C[N@@H+]1CCN(Cc2cccc(C(N)=O)c2)[C@H](C[NH3+])C1 ZINC000122726837 351852257 /nfs/dbraw/zinc/85/22/57/351852257.db2.gz ZOEDKAWJNRMQPD-CYBMUJFWSA-N 2 2 262.357 -0.140 20 0 CBADLP C[N@H+]1CCN(Cc2cccc(C(N)=O)c2)[C@H](C[NH3+])C1 ZINC000122726837 351852259 /nfs/dbraw/zinc/85/22/59/351852259.db2.gz ZOEDKAWJNRMQPD-CYBMUJFWSA-N 2 2 262.357 -0.140 20 0 CBADLP C[N@@H+]1CCN(Cc2ccc(C(N)=O)cc2)[C@H](C[NH3+])C1 ZINC000122712469 351852969 /nfs/dbraw/zinc/85/29/69/351852969.db2.gz PMQBKASPFUJNMQ-CYBMUJFWSA-N 2 2 262.357 -0.140 20 0 CBADLP C[N@H+]1CCN(Cc2ccc(C(N)=O)cc2)[C@H](C[NH3+])C1 ZINC000122712469 351852971 /nfs/dbraw/zinc/85/29/71/351852971.db2.gz PMQBKASPFUJNMQ-CYBMUJFWSA-N 2 2 262.357 -0.140 20 0 CBADLP C[C@H]1C[C@@H]([NH+](C)CC(=O)N2CCNC2=O)CC[N@@H+]1C ZINC000123170911 187075490 /nfs/dbraw/zinc/07/54/90/187075490.db2.gz RILCUHWSFCSHIQ-QWRGUYRKSA-N 2 2 268.361 -0.047 20 0 CBADLP C[C@H]1C[C@@H]([NH+](C)CC(=O)N2CCNC2=O)CC[N@H+]1C ZINC000123170911 187075491 /nfs/dbraw/zinc/07/54/91/187075491.db2.gz RILCUHWSFCSHIQ-QWRGUYRKSA-N 2 2 268.361 -0.047 20 0 CBADLP C[C@H]1C[C@@H]([N@H+](C)CC(=O)N2CCNC2=O)CC[NH+]1C ZINC000123170911 187075492 /nfs/dbraw/zinc/07/54/92/187075492.db2.gz RILCUHWSFCSHIQ-QWRGUYRKSA-N 2 2 268.361 -0.047 20 0 CBADLP C[C@H]1C[C@@H]([N@@H+](C)CC(=O)N2CCNC2=O)CC[NH+]1C ZINC000123170911 187075493 /nfs/dbraw/zinc/07/54/93/187075493.db2.gz RILCUHWSFCSHIQ-QWRGUYRKSA-N 2 2 268.361 -0.047 20 0 CBADLP CN(C)C(=O)C[NH+](C)C/C=C/C[N@@H+](C)CC(=O)N(C)C ZINC000120450064 351840072 /nfs/dbraw/zinc/84/00/72/351840072.db2.gz SWFXLCQVSNMSLZ-BQYQJAHWSA-N 2 2 284.404 -0.417 20 0 CBADLP CN(C)C(=O)C[NH+](C)C/C=C/C[N@H+](C)CC(=O)N(C)C ZINC000120450064 351840076 /nfs/dbraw/zinc/84/00/76/351840076.db2.gz SWFXLCQVSNMSLZ-BQYQJAHWSA-N 2 2 284.404 -0.417 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCNC(=O)CC2)CC1 ZINC000122600903 187040623 /nfs/dbraw/zinc/04/06/23/187040623.db2.gz NZPRCWNBKRPWRB-GFCCVEGCSA-N 2 2 282.388 -0.639 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCNC(=O)CC2)CC1 ZINC000122600903 187040624 /nfs/dbraw/zinc/04/06/24/187040624.db2.gz NZPRCWNBKRPWRB-GFCCVEGCSA-N 2 2 282.388 -0.639 20 0 CBADLP Cc1cc(C)n(CC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])n1 ZINC000120761180 351843175 /nfs/dbraw/zinc/84/31/75/351843175.db2.gz NBVORAULXPWZSQ-GFCCVEGCSA-N 2 2 265.361 -0.399 20 0 CBADLP Cc1cc(C)n(CC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])n1 ZINC000120761180 351843178 /nfs/dbraw/zinc/84/31/78/351843178.db2.gz NBVORAULXPWZSQ-GFCCVEGCSA-N 2 2 265.361 -0.399 20 0 CBADLP CC[C@@H]([NH3+])C(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000130593089 351880287 /nfs/dbraw/zinc/88/02/87/351880287.db2.gz UNGOQNXJFJLKGA-QWHCGFSZSA-N 2 2 296.415 -0.121 20 0 CBADLP C[C@@H]1C[C@H]([NH+](C)CC(=O)N2CCNC(=O)C2)CC[N@@H+]1C ZINC000123837200 187110912 /nfs/dbraw/zinc/11/09/12/187110912.db2.gz XIOAMPSUSGEERT-VXGBXAGGSA-N 2 2 282.388 -0.641 20 0 CBADLP C[C@@H]1C[C@H]([NH+](C)CC(=O)N2CCNC(=O)C2)CC[N@H+]1C ZINC000123837200 187110913 /nfs/dbraw/zinc/11/09/13/187110913.db2.gz XIOAMPSUSGEERT-VXGBXAGGSA-N 2 2 282.388 -0.641 20 0 CBADLP C[C@@H]1C[C@H]([N@H+](C)CC(=O)N2CCNC(=O)C2)CC[NH+]1C ZINC000123837200 187110914 /nfs/dbraw/zinc/11/09/14/187110914.db2.gz XIOAMPSUSGEERT-VXGBXAGGSA-N 2 2 282.388 -0.641 20 0 CBADLP C[C@@H]1C[C@H]([N@@H+](C)CC(=O)N2CCNC(=O)C2)CC[NH+]1C ZINC000123837200 187110915 /nfs/dbraw/zinc/11/09/15/187110915.db2.gz XIOAMPSUSGEERT-VXGBXAGGSA-N 2 2 282.388 -0.641 20 0 CBADLP O=C(C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)N1CCNC(=O)C1 ZINC000150792568 351932409 /nfs/dbraw/zinc/93/24/09/351932409.db2.gz LMTIWSJYSDUGEV-CYBMUJFWSA-N 2 2 294.399 -0.638 20 0 CBADLP O=C(C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)N1CCNC(=O)C1 ZINC000150792568 351932410 /nfs/dbraw/zinc/93/24/10/351932410.db2.gz LMTIWSJYSDUGEV-CYBMUJFWSA-N 2 2 294.399 -0.638 20 0 CBADLP C[N@H+](CC(=O)NCC[NH+]1CCOCC1)[C@@H]1CCSC1 ZINC000153026102 351941283 /nfs/dbraw/zinc/94/12/83/351941283.db2.gz PMYTUHHBEZDGAZ-GFCCVEGCSA-N 2 2 287.429 -0.128 20 0 CBADLP C[N@@H+](CC(=O)NCC[NH+]1CCOCC1)[C@@H]1CCSC1 ZINC000153026102 351941289 /nfs/dbraw/zinc/94/12/89/351941289.db2.gz PMYTUHHBEZDGAZ-GFCCVEGCSA-N 2 2 287.429 -0.128 20 0 CBADLP C[NH+](C)C[C@@](C)(O)CNC(=O)NCCCn1cc[nH+]c1 ZINC000132706802 351895081 /nfs/dbraw/zinc/89/50/81/351895081.db2.gz JSXQVZTUBJXNEM-ZDUSSCGKSA-N 2 2 283.376 -0.115 20 0 CBADLP C[C@@]1(C(=O)N2CC[NH+](CCO)CC2)CCCC[NH2+]1 ZINC000133093352 351897137 /nfs/dbraw/zinc/89/71/37/351897137.db2.gz GPOGLYDGXGVIET-ZDUSSCGKSA-N 2 2 255.362 -0.345 20 0 CBADLP C[NH+](C)C[C@](C)(O)CNc1[nH+]cnc(-n2cccn2)c1N ZINC000133045652 351897575 /nfs/dbraw/zinc/89/75/75/351897575.db2.gz OZTUJFMMSUWUSE-CYBMUJFWSA-N 2 2 291.359 -0.031 20 0 CBADLP COC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000133702424 351901049 /nfs/dbraw/zinc/90/10/49/351901049.db2.gz RLCFDUSAIINTQJ-GFCCVEGCSA-N 2 2 283.372 -0.355 20 0 CBADLP COC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000133702424 351901053 /nfs/dbraw/zinc/90/10/53/351901053.db2.gz RLCFDUSAIINTQJ-GFCCVEGCSA-N 2 2 283.372 -0.355 20 0 CBADLP CC[C@@H](C)[C@H](NC(=O)C[N@H+](C)CCC[NH3+])C(=O)OC ZINC000133788237 351901782 /nfs/dbraw/zinc/90/17/82/351901782.db2.gz WMUVDNXJVYJTLX-PWSUYJOCSA-N 2 2 273.377 -0.029 20 0 CBADLP CC[C@@H](C)[C@H](NC(=O)C[N@@H+](C)CCC[NH3+])C(=O)OC ZINC000133788237 351901786 /nfs/dbraw/zinc/90/17/86/351901786.db2.gz WMUVDNXJVYJTLX-PWSUYJOCSA-N 2 2 273.377 -0.029 20 0 CBADLP COc1c(N)[nH+]cnc1N1CC[NH+](CC(C)(C)O)CC1 ZINC000134899530 351909654 /nfs/dbraw/zinc/90/96/54/351909654.db2.gz GXJMUSXXKABIJP-UHFFFAOYSA-N 2 2 281.360 -0.040 20 0 CBADLP O=S1(=O)CCC[C@@H]1C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000156700563 351953519 /nfs/dbraw/zinc/95/35/19/351953519.db2.gz XZUWEDDLGCCBGK-VXGBXAGGSA-N 2 2 276.402 -0.390 20 0 CBADLP CN1CCN(C(=O)Cc2cn3ccccc3[nH+]2)[C@@H](C[NH3+])C1 ZINC000162268707 351976928 /nfs/dbraw/zinc/97/69/28/351976928.db2.gz MFCMMXGVYXXWBA-ZDUSSCGKSA-N 2 2 287.367 -0.022 20 0 CBADLP CC(=O)N1CCC[C@H](C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])C1 ZINC000162299331 351977606 /nfs/dbraw/zinc/97/76/06/351977606.db2.gz QOEDVSOOGRHMQE-STQMWFEESA-N 2 2 282.388 -0.654 20 0 CBADLP CC(=O)N1CCC[C@H](C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])C1 ZINC000162299331 351977609 /nfs/dbraw/zinc/97/76/09/351977609.db2.gz QOEDVSOOGRHMQE-STQMWFEESA-N 2 2 282.388 -0.654 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCOCCO)CC1 ZINC000162771100 351979923 /nfs/dbraw/zinc/97/99/23/351979923.db2.gz MJKJOWFPPIEBTG-CYBMUJFWSA-N 2 2 285.388 -0.766 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCOCCO)CC1 ZINC000162771100 351979926 /nfs/dbraw/zinc/97/99/26/351979926.db2.gz MJKJOWFPPIEBTG-CYBMUJFWSA-N 2 2 285.388 -0.766 20 0 CBADLP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)CN1CC[NH2+]CC1=O ZINC000166028963 351986960 /nfs/dbraw/zinc/98/69/60/351986960.db2.gz MANUAFBFZXGLGN-QWHCGFSZSA-N 2 2 296.415 -0.345 20 0 CBADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CSC[NH2+]1 ZINC000167265758 351989764 /nfs/dbraw/zinc/98/97/64/351989764.db2.gz RLTQJUSEWCUPMG-QWRGUYRKSA-N 2 2 273.402 -0.124 20 0 CBADLP COCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CSC[NH2+]1 ZINC000167265758 351989765 /nfs/dbraw/zinc/98/97/65/351989765.db2.gz RLTQJUSEWCUPMG-QWRGUYRKSA-N 2 2 273.402 -0.124 20 0 CBADLP [NH3+]CC(=O)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000167968596 351990539 /nfs/dbraw/zinc/99/05/39/351990539.db2.gz BKENLXFKTPLLQH-ZDUSSCGKSA-N 2 2 263.341 -0.177 20 0 CBADLP COCC[N@@H+]1CCN(C(=O)[C@]2(F)CC[NH2+]C2)C[C@H]1C ZINC000168033588 351991907 /nfs/dbraw/zinc/99/19/07/351991907.db2.gz HVNXTIFVSOWTTI-YPMHNXCESA-N 2 2 273.352 -0.133 20 0 CBADLP COCC[N@H+]1CCN(C(=O)[C@]2(F)CC[NH2+]C2)C[C@H]1C ZINC000168033588 351991909 /nfs/dbraw/zinc/99/19/09/351991909.db2.gz HVNXTIFVSOWTTI-YPMHNXCESA-N 2 2 273.352 -0.133 20 0 CBADLP COCC[N@@H+]1CCN(C(=O)[C@@H]2COCC[NH2+]2)C[C@H]1C ZINC000168016468 351992048 /nfs/dbraw/zinc/99/20/48/351992048.db2.gz NQOPGGCUQVCUPM-NEPJUHHUSA-N 2 2 271.361 -0.846 20 0 CBADLP COCC[N@H+]1CCN(C(=O)[C@@H]2COCC[NH2+]2)C[C@H]1C ZINC000168016468 351992049 /nfs/dbraw/zinc/99/20/49/351992049.db2.gz NQOPGGCUQVCUPM-NEPJUHHUSA-N 2 2 271.361 -0.846 20 0 CBADLP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)CN2CC[NH2+]CC2=O)C1 ZINC000168724778 351994434 /nfs/dbraw/zinc/99/44/34/351994434.db2.gz MKOUYGOOYZGTGM-ZDUSSCGKSA-N 2 2 296.415 -0.488 20 0 CBADLP CC(C)C[N@H+]1CC[C@@H](CNC(=O)CN2CC[NH2+]CC2=O)C1 ZINC000168724778 351994440 /nfs/dbraw/zinc/99/44/40/351994440.db2.gz MKOUYGOOYZGTGM-ZDUSSCGKSA-N 2 2 296.415 -0.488 20 0 CBADLP C[NH+](C)CC(=O)NC[C@@H](NC(=O)C[NH+](C)C)C1CC1 ZINC000170760998 352000817 /nfs/dbraw/zinc/00/08/17/352000817.db2.gz MRKOSIDQPWDFRT-LLVKDONJSA-N 2 2 270.377 -0.879 20 0 CBADLP C[C@@H]1C[NH+](CCCNC(=O)[C@@H]2C[N@H+](C)CCO2)C[C@@H](C)O1 ZINC000174500625 352047412 /nfs/dbraw/zinc/04/74/12/352047412.db2.gz QMOMMERSYPOHRB-MCIONIFRSA-N 2 2 299.415 -0.068 20 0 CBADLP C[C@@H]1C[NH+](CCCNC(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@@H](C)O1 ZINC000174500625 352047415 /nfs/dbraw/zinc/04/74/15/352047415.db2.gz QMOMMERSYPOHRB-MCIONIFRSA-N 2 2 299.415 -0.068 20 0 CBADLP COC(=O)[C@@H]1C[C@H]1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000177141119 352071313 /nfs/dbraw/zinc/07/13/13/352071313.db2.gz JPQVODNBGBTZRY-CHWSQXEVSA-N 2 2 297.399 -0.062 20 0 CBADLP CC[N@H+](C)CCNC(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000171664901 352015015 /nfs/dbraw/zinc/01/50/15/352015015.db2.gz RDSVYIJCXPRIIZ-LLVKDONJSA-N 2 2 258.366 -0.432 20 0 CBADLP CC[N@@H+](C)CCNC(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000171664901 352015017 /nfs/dbraw/zinc/01/50/17/352015017.db2.gz RDSVYIJCXPRIIZ-LLVKDONJSA-N 2 2 258.366 -0.432 20 0 CBADLP CC[NH+](C)CCNC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000171664901 352015018 /nfs/dbraw/zinc/01/50/18/352015018.db2.gz RDSVYIJCXPRIIZ-LLVKDONJSA-N 2 2 258.366 -0.432 20 0 CBADLP CC[NH+](C)CCNC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000171664901 352015021 /nfs/dbraw/zinc/01/50/21/352015021.db2.gz RDSVYIJCXPRIIZ-LLVKDONJSA-N 2 2 258.366 -0.432 20 0 CBADLP Cn1c(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)cc(=O)n(C)c1=O ZINC000172350162 352024072 /nfs/dbraw/zinc/02/40/72/352024072.db2.gz ISSHOZKDVCLDJZ-LBPRGKRZSA-N 2 2 294.399 -0.142 20 0 CBADLP Cn1c(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc(=O)n(C)c1=O ZINC000172350162 352024075 /nfs/dbraw/zinc/02/40/75/352024075.db2.gz ISSHOZKDVCLDJZ-LBPRGKRZSA-N 2 2 294.399 -0.142 20 0 CBADLP Cn1c(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc(=O)n(C)c1=O ZINC000172350162 352024079 /nfs/dbraw/zinc/02/40/79/352024079.db2.gz ISSHOZKDVCLDJZ-LBPRGKRZSA-N 2 2 294.399 -0.142 20 0 CBADLP Cn1c(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc(=O)n(C)c1=O ZINC000172350162 352024083 /nfs/dbraw/zinc/02/40/83/352024083.db2.gz ISSHOZKDVCLDJZ-LBPRGKRZSA-N 2 2 294.399 -0.142 20 0 CBADLP CC[C@@H]1CN(C(=O)[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1C[C@@H](C)O ZINC000173361469 352036889 /nfs/dbraw/zinc/03/68/89/352036889.db2.gz ITPKGALIFUOIFQ-MCIONIFRSA-N 2 2 299.415 -0.379 20 0 CBADLP CC[C@@H]1CN(C(=O)[C@@H]2C[NH+](C)CCO2)CC[N@H+]1C[C@@H](C)O ZINC000173361469 352036893 /nfs/dbraw/zinc/03/68/93/352036893.db2.gz ITPKGALIFUOIFQ-MCIONIFRSA-N 2 2 299.415 -0.379 20 0 CBADLP CC[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC[NH+]1C[C@@H](C)O ZINC000173361469 352036896 /nfs/dbraw/zinc/03/68/96/352036896.db2.gz ITPKGALIFUOIFQ-MCIONIFRSA-N 2 2 299.415 -0.379 20 0 CBADLP CC[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1C[C@@H](C)O ZINC000173361469 352036899 /nfs/dbraw/zinc/03/68/99/352036899.db2.gz ITPKGALIFUOIFQ-MCIONIFRSA-N 2 2 299.415 -0.379 20 0 CBADLP CC[N@H+](CC(=O)N1CC[NH+](CCO)[C@H](C)C1)C1CC1 ZINC000187268001 352136877 /nfs/dbraw/zinc/13/68/77/352136877.db2.gz IVHSFWICHHFUBK-GFCCVEGCSA-N 2 2 269.389 -0.004 20 0 CBADLP CC[N@@H+](CC(=O)N1CC[NH+](CCO)[C@H](C)C1)C1CC1 ZINC000187268001 352136878 /nfs/dbraw/zinc/13/68/78/352136878.db2.gz IVHSFWICHHFUBK-GFCCVEGCSA-N 2 2 269.389 -0.004 20 0 CBADLP CC[NH+](CC(=O)N1CC[N@H+](CCO)[C@H](C)C1)C1CC1 ZINC000187268001 352136880 /nfs/dbraw/zinc/13/68/80/352136880.db2.gz IVHSFWICHHFUBK-GFCCVEGCSA-N 2 2 269.389 -0.004 20 0 CBADLP CC[NH+](CC(=O)N1CC[N@@H+](CCO)[C@H](C)C1)C1CC1 ZINC000187268001 352136881 /nfs/dbraw/zinc/13/68/81/352136881.db2.gz IVHSFWICHHFUBK-GFCCVEGCSA-N 2 2 269.389 -0.004 20 0 CBADLP CC1(C)C[N@H+](CCNC(=O)[C@@H]2CSC[NH2+]2)CCO1 ZINC000178745108 352082749 /nfs/dbraw/zinc/08/27/49/352082749.db2.gz LVRWSSQYMWNECH-JTQLQIEISA-N 2 2 273.402 -0.124 20 0 CBADLP CC1(C)C[N@@H+](CCNC(=O)[C@@H]2CSC[NH2+]2)CCO1 ZINC000178745108 352082752 /nfs/dbraw/zinc/08/27/52/352082752.db2.gz LVRWSSQYMWNECH-JTQLQIEISA-N 2 2 273.402 -0.124 20 0 CBADLP CC1(C)C[N@H+](CCNC(=O)[C@H]2COCC[NH2+]2)CCO1 ZINC000178743910 352082947 /nfs/dbraw/zinc/08/29/47/352082947.db2.gz OJQYGTJIJADMFT-LLVKDONJSA-N 2 2 271.361 -0.798 20 0 CBADLP CC1(C)C[N@@H+](CCNC(=O)[C@H]2COCC[NH2+]2)CCO1 ZINC000178743910 352082951 /nfs/dbraw/zinc/08/29/51/352082951.db2.gz OJQYGTJIJADMFT-LLVKDONJSA-N 2 2 271.361 -0.798 20 0 CBADLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@@H]1COCC[NH2+]1 ZINC000178762704 352083457 /nfs/dbraw/zinc/08/34/57/352083457.db2.gz GMYCTHJXHICVKF-NSHDSACASA-N 2 2 271.361 -0.798 20 0 CBADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@@H]1COCC[NH2+]1 ZINC000178762704 352083461 /nfs/dbraw/zinc/08/34/61/352083461.db2.gz GMYCTHJXHICVKF-NSHDSACASA-N 2 2 271.361 -0.798 20 0 CBADLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@@H]1CC[NH2+]C1 ZINC000178764009 352083988 /nfs/dbraw/zinc/08/39/88/352083988.db2.gz ZNCASXDWRFCWDC-LLVKDONJSA-N 2 2 255.362 -0.177 20 0 CBADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@@H]1CC[NH2+]C1 ZINC000178764009 352083990 /nfs/dbraw/zinc/08/39/90/352083990.db2.gz ZNCASXDWRFCWDC-LLVKDONJSA-N 2 2 255.362 -0.177 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@H]2COCC[NH2+]2)C[C@@H]1[NH+]1CCOCC1 ZINC000178860208 352084834 /nfs/dbraw/zinc/08/48/34/352084834.db2.gz XOKGTRZNVQJWJA-AGIUHOORSA-N 2 2 283.372 -0.846 20 0 CBADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H]1CCC[NH2+]C1 ZINC000178881686 352084869 /nfs/dbraw/zinc/08/48/69/352084869.db2.gz YRLLPXRHYNUMLT-OLZOCXBDSA-N 2 2 268.405 -0.262 20 0 CBADLP C[C@H]([NH3+])C(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000178855582 352085025 /nfs/dbraw/zinc/08/50/25/352085025.db2.gz BZWNMEBTXFLXIE-RYUDHWBXSA-N 2 2 282.388 -0.511 20 0 CBADLP CC1CC[NH+](CC(=O)NC[C@@H]2C[NH+]3CCN2CC3)CC1 ZINC000178968682 352086863 /nfs/dbraw/zinc/08/68/63/352086863.db2.gz WRFFAQFZSCGKJE-CQSZACIVSA-N 2 2 280.416 -0.166 20 0 CBADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C1(C(N)=O)CCCC1 ZINC000180705253 352096782 /nfs/dbraw/zinc/09/67/82/352096782.db2.gz CLOPXYXVYABMQF-UHFFFAOYSA-N 2 2 282.388 -0.510 20 0 CBADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C1(C(N)=O)CCCC1 ZINC000180705253 352096784 /nfs/dbraw/zinc/09/67/84/352096784.db2.gz CLOPXYXVYABMQF-UHFFFAOYSA-N 2 2 282.388 -0.510 20 0 CBADLP COCC[C@H](C)[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181023310 352097806 /nfs/dbraw/zinc/09/78/06/352097806.db2.gz UOESLMYLVJYKIZ-UONOGXRCSA-N 2 2 299.415 -0.066 20 0 CBADLP C[C@@H]1CCC[C@@H](CO)[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000181385121 352098997 /nfs/dbraw/zinc/09/89/97/352098997.db2.gz CMQGFCLQAGPRGI-OLZOCXBDSA-N 2 2 269.389 -0.004 20 0 CBADLP C[C@@H]1CCC[C@@H](CO)[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000181385121 352099005 /nfs/dbraw/zinc/09/90/05/352099005.db2.gz CMQGFCLQAGPRGI-OLZOCXBDSA-N 2 2 269.389 -0.004 20 0 CBADLP C[C@@H]1CCC[C@H](CO)[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000181385084 352099242 /nfs/dbraw/zinc/09/92/42/352099242.db2.gz CMQGFCLQAGPRGI-CHWSQXEVSA-N 2 2 269.389 -0.004 20 0 CBADLP C[C@@H]1CCC[C@H](CO)[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000181385084 352099243 /nfs/dbraw/zinc/09/92/43/352099243.db2.gz CMQGFCLQAGPRGI-CHWSQXEVSA-N 2 2 269.389 -0.004 20 0 CBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C[NH+](C)C)[C@@H](C)C1 ZINC000182829606 352106493 /nfs/dbraw/zinc/10/64/93/352106493.db2.gz RNZDEKZGDPFVMB-NSHDSACASA-N 2 2 271.361 -0.356 20 0 CBADLP COC(=O)CC[N@H+]1CCN(C(=O)C[NH+](C)C)[C@@H](C)C1 ZINC000182829606 352106494 /nfs/dbraw/zinc/10/64/94/352106494.db2.gz RNZDEKZGDPFVMB-NSHDSACASA-N 2 2 271.361 -0.356 20 0 CBADLP CNC(=O)[C@@H]1C[N@H+](CC[C@@H]2CCC[NH+]2C)CCO1 ZINC000184068018 352111284 /nfs/dbraw/zinc/11/12/84/352111284.db2.gz NCKSHBFKKDDFGP-RYUDHWBXSA-N 2 2 255.362 -0.083 20 0 CBADLP CNC(=O)[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH+]2C)CCO1 ZINC000184068018 352111286 /nfs/dbraw/zinc/11/12/86/352111286.db2.gz NCKSHBFKKDDFGP-RYUDHWBXSA-N 2 2 255.362 -0.083 20 0 CBADLP CNC(=O)[C@@H]1C[NH+](CC[C@@H]2CCC[N@@H+]2C)CCO1 ZINC000184068018 352111287 /nfs/dbraw/zinc/11/12/87/352111287.db2.gz NCKSHBFKKDDFGP-RYUDHWBXSA-N 2 2 255.362 -0.083 20 0 CBADLP CNC(=O)[C@@H]1C[NH+](CC[C@@H]2CCC[N@H+]2C)CCO1 ZINC000184068018 352111289 /nfs/dbraw/zinc/11/12/89/352111289.db2.gz NCKSHBFKKDDFGP-RYUDHWBXSA-N 2 2 255.362 -0.083 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1C[C@H](F)C[NH2+]1)[NH+]1CCOCC1 ZINC000188720470 352157532 /nfs/dbraw/zinc/15/75/32/352157532.db2.gz WRHPNTYDBOENBW-GARJFASQSA-N 2 2 259.325 -0.477 20 0 CBADLP COCC[N@@H+]1CCN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)C[C@@H]1C ZINC000188762192 352158739 /nfs/dbraw/zinc/15/87/39/352158739.db2.gz QWXYIEVQBZSJQX-SDDRHHMPSA-N 2 2 273.352 -0.135 20 0 CBADLP COCC[N@H+]1CCN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)C[C@@H]1C ZINC000188762192 352158740 /nfs/dbraw/zinc/15/87/40/352158740.db2.gz QWXYIEVQBZSJQX-SDDRHHMPSA-N 2 2 273.352 -0.135 20 0 CBADLP C[N@@H+]1CCO[C@H](CNS(=O)(=O)CC[NH+]2CCCC2)C1 ZINC000189425486 352168897 /nfs/dbraw/zinc/16/88/97/352168897.db2.gz MVPFZDQIFOUWDD-GFCCVEGCSA-N 2 2 291.417 -0.668 20 0 CBADLP C[N@H+]1CCO[C@H](CNS(=O)(=O)CC[NH+]2CCCC2)C1 ZINC000189425486 352168901 /nfs/dbraw/zinc/16/89/01/352168901.db2.gz MVPFZDQIFOUWDD-GFCCVEGCSA-N 2 2 291.417 -0.668 20 0 CBADLP O=C1NC(=O)[C@@]2(CCC[N@H+](CCCn3cc[nH+]c3)C2)N1 ZINC000192683788 352198559 /nfs/dbraw/zinc/19/85/59/352198559.db2.gz BKKPHRMHMOISLN-ZDUSSCGKSA-N 2 2 277.328 -0.053 20 0 CBADLP O=C1NC(=O)[C@@]2(CCC[N@@H+](CCCn3cc[nH+]c3)C2)N1 ZINC000192683788 352198560 /nfs/dbraw/zinc/19/85/60/352198560.db2.gz BKKPHRMHMOISLN-ZDUSSCGKSA-N 2 2 277.328 -0.053 20 0 CBADLP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C[NH+](C)C ZINC000190121538 352177794 /nfs/dbraw/zinc/17/77/94/352177794.db2.gz ZYTMDUZMAXDCLR-LLVKDONJSA-N 2 2 257.378 -0.148 20 0 CBADLP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C[NH+](C)C ZINC000190121538 352177796 /nfs/dbraw/zinc/17/77/96/352177796.db2.gz ZYTMDUZMAXDCLR-LLVKDONJSA-N 2 2 257.378 -0.148 20 0 CBADLP CC[NH+]1CCN(CCC(=O)NCC(F)(F)C[NH3+])CC1 ZINC000190241252 352178940 /nfs/dbraw/zinc/17/89/40/352178940.db2.gz IYTOJSCQECBAAG-UHFFFAOYSA-N 2 2 278.347 -0.276 20 0 CBADLP CCN1CC[NH+](CCC(=O)NCC(F)(F)C[NH3+])CC1 ZINC000190241252 352178942 /nfs/dbraw/zinc/17/89/42/352178942.db2.gz IYTOJSCQECBAAG-UHFFFAOYSA-N 2 2 278.347 -0.276 20 0 CBADLP CO[C@@H]1C[NH2+][C@@H](C(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000187976701 352144989 /nfs/dbraw/zinc/14/49/89/352144989.db2.gz CPHMAOSKBMOFHD-RQJABVFESA-N 2 2 297.399 -0.458 20 0 CBADLP CO[C@@H]1C[NH2+][C@@H](C(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)C1 ZINC000187976719 352145287 /nfs/dbraw/zinc/14/52/87/352145287.db2.gz CPHMAOSKBMOFHD-FQUUOJAGSA-N 2 2 297.399 -0.458 20 0 CBADLP CC[C@@H](C)[N@H+](C)CCNC[C@@H](O)C[NH+]1CCOCC1 ZINC000219719944 352238129 /nfs/dbraw/zinc/23/81/29/352238129.db2.gz WOZNXNXRUIDHPS-ZIAGYGMSSA-N 2 2 273.421 -0.001 20 0 CBADLP CC[C@@H](C)[N@@H+](C)CCNC[C@@H](O)C[NH+]1CCOCC1 ZINC000219719944 352238130 /nfs/dbraw/zinc/23/81/30/352238130.db2.gz WOZNXNXRUIDHPS-ZIAGYGMSSA-N 2 2 273.421 -0.001 20 0 CBADLP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2nnn(C)n2)CC1 ZINC000194435056 352215487 /nfs/dbraw/zinc/21/54/87/352215487.db2.gz ICGRSKAWMSYQTI-NSHDSACASA-N 2 2 282.392 -0.265 20 0 CBADLP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2nnn(C)n2)CC1 ZINC000194435056 352215489 /nfs/dbraw/zinc/21/54/89/352215489.db2.gz ICGRSKAWMSYQTI-NSHDSACASA-N 2 2 282.392 -0.265 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000195156221 352222908 /nfs/dbraw/zinc/22/29/08/352222908.db2.gz GSOIZCUXRNFQCH-NWDGAFQWSA-N 2 2 255.362 -0.177 20 0 CBADLP CO[C@H](C[NH3+])C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000227373691 352257585 /nfs/dbraw/zinc/25/75/85/352257585.db2.gz UQBBWSMPMLBSGL-SNVBAGLBSA-N 2 2 259.350 -0.813 20 0 CBADLP C[N@@H+]1CCN(C(=O)COCC(F)(F)F)[C@H](C[NH3+])C1 ZINC000226292996 352250958 /nfs/dbraw/zinc/25/09/58/352250958.db2.gz AYZXUESMMLBZFW-MRVPVSSYSA-N 2 2 269.267 -0.333 20 0 CBADLP C[N@H+]1CCN(C(=O)COCC(F)(F)F)[C@H](C[NH3+])C1 ZINC000226292996 352250960 /nfs/dbraw/zinc/25/09/60/352250960.db2.gz AYZXUESMMLBZFW-MRVPVSSYSA-N 2 2 269.267 -0.333 20 0 CBADLP [NH2+]=C(NO)[C@@H]1CCCCN1C[C@@H](O)C[NH+]1CCOCC1 ZINC000368526689 303220224 /nfs/dbraw/zinc/22/02/24/303220224.db2.gz UJKYDEROPUIMRB-RYUDHWBXSA-N 2 2 286.376 -0.510 20 0 CBADLP C[NH+]1CCN(C(=O)NCC[NH+]2CCOCC2)CC1 ZINC000243545551 352316491 /nfs/dbraw/zinc/31/64/91/352316491.db2.gz OHGMHOFQXHNKTG-UHFFFAOYSA-N 2 2 256.350 -0.724 20 0 CBADLP CC(=O)N1CC[NH+](CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000244213946 352317213 /nfs/dbraw/zinc/31/72/13/352317213.db2.gz VVVXUBREZCPKIQ-UHFFFAOYSA-N 2 2 282.388 -0.685 20 0 CBADLP CO[C@@H](C[NH3+])CC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000232113018 352278779 /nfs/dbraw/zinc/27/87/79/352278779.db2.gz CWQGMKZLHSJWBD-WDEREUQCSA-N 2 2 259.350 -0.813 20 0 CBADLP COC[C@H](C)OC[C@@H](O)C[NH2+]CCn1cc[nH+]c1 ZINC000234737674 352284615 /nfs/dbraw/zinc/28/46/15/352284615.db2.gz NKLQEFPVQHOCEQ-RYUDHWBXSA-N 2 2 257.334 -0.115 20 0 CBADLP COC[C@H](C)OC[C@H](O)C[NH2+]CCn1cc[nH+]c1 ZINC000234837371 352285313 /nfs/dbraw/zinc/28/53/13/352285313.db2.gz NKLQEFPVQHOCEQ-NWDGAFQWSA-N 2 2 257.334 -0.115 20 0 CBADLP C[C@@H]1C[C@@H](C(=O)NC[C@@H]2C[N@H+](C)CCO2)CC[NH2+]1 ZINC000235382827 352287061 /nfs/dbraw/zinc/28/70/61/352287061.db2.gz GYYRSHZLOSBCMG-GRYCIOLGSA-N 2 2 255.362 -0.179 20 0 CBADLP C[C@@H]1C[C@@H](C(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC[NH2+]1 ZINC000235382827 352287063 /nfs/dbraw/zinc/28/70/63/352287063.db2.gz GYYRSHZLOSBCMG-GRYCIOLGSA-N 2 2 255.362 -0.179 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@]2(C)CCCC[NH2+]2)CC1 ZINC000236577329 352291399 /nfs/dbraw/zinc/29/13/99/352291399.db2.gz OBZKIABQFAQRCF-HNNXBMFYSA-N 2 2 296.415 -0.201 20 0 CBADLP CC(C)[C@H]([NH3+])C(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000236728686 352292905 /nfs/dbraw/zinc/29/29/05/352292905.db2.gz IEVRLJNWDLKRJC-YPMHNXCESA-N 2 2 296.415 -0.219 20 0 CBADLP CC(C)[N@@H+]1CCC[C@H](CNC(=O)CN2CC[NH2+]CC2=O)C1 ZINC000236825678 352294334 /nfs/dbraw/zinc/29/43/34/352294334.db2.gz CDVSBFXVVVAIOV-CYBMUJFWSA-N 2 2 296.415 -0.345 20 0 CBADLP CC(C)[N@H+]1CCC[C@H](CNC(=O)CN2CC[NH2+]CC2=O)C1 ZINC000236825678 352294337 /nfs/dbraw/zinc/29/43/37/352294337.db2.gz CDVSBFXVVVAIOV-CYBMUJFWSA-N 2 2 296.415 -0.345 20 0 CBADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1COCC[NH2+]1 ZINC000237085726 352298869 /nfs/dbraw/zinc/29/88/69/352298869.db2.gz BFPLEVMQVIKNPG-NEPJUHHUSA-N 2 2 271.361 -0.798 20 0 CBADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1COCC[NH2+]1 ZINC000237085726 352298870 /nfs/dbraw/zinc/29/88/70/352298870.db2.gz BFPLEVMQVIKNPG-NEPJUHHUSA-N 2 2 271.361 -0.798 20 0 CBADLP CN(C(=O)[C@H]1C[NH+](C)CCO1)[C@H]1CCC[N@H+](C)C1 ZINC000245439230 352319909 /nfs/dbraw/zinc/31/99/09/352319909.db2.gz SQPJWZANGNYUOO-NWDGAFQWSA-N 2 2 255.362 -0.130 20 0 CBADLP CN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@H]1CCC[NH+](C)C1 ZINC000245439230 352319914 /nfs/dbraw/zinc/31/99/14/352319914.db2.gz SQPJWZANGNYUOO-NWDGAFQWSA-N 2 2 255.362 -0.130 20 0 CBADLP CN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@H]1CCC[NH+](C)C1 ZINC000245439230 352319916 /nfs/dbraw/zinc/31/99/16/352319916.db2.gz SQPJWZANGNYUOO-NWDGAFQWSA-N 2 2 255.362 -0.130 20 0 CBADLP CN(C(=O)[C@H]1C[NH+](C)CCO1)[C@@H]1CCC[N@H+](C)C1 ZINC000245439232 352319949 /nfs/dbraw/zinc/31/99/49/352319949.db2.gz SQPJWZANGNYUOO-VXGBXAGGSA-N 2 2 255.362 -0.130 20 0 CBADLP C[NH2+]C[C@@H](C)C(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000237174005 352301279 /nfs/dbraw/zinc/30/12/79/352301279.db2.gz XLYQYUFFHPMLDT-NEPJUHHUSA-N 2 2 296.415 -0.347 20 0 CBADLP COCC[NH2+]CC(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000237193545 352301639 /nfs/dbraw/zinc/30/16/39/352301639.db2.gz BCQZSOAGLRHFLP-CYBMUJFWSA-N 2 2 287.404 -0.305 20 0 CBADLP C[NH2+]CC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000237188913 352301767 /nfs/dbraw/zinc/30/17/67/352301767.db2.gz IUWKZRKTHZTZGV-LBPRGKRZSA-N 2 2 255.362 -0.081 20 0 CBADLP CN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@@H]1CCC[NH+](C)C1 ZINC000245439232 352319955 /nfs/dbraw/zinc/31/99/55/352319955.db2.gz SQPJWZANGNYUOO-VXGBXAGGSA-N 2 2 255.362 -0.130 20 0 CBADLP CN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@@H]1CCC[NH+](C)C1 ZINC000245439232 352319958 /nfs/dbraw/zinc/31/99/58/352319958.db2.gz SQPJWZANGNYUOO-VXGBXAGGSA-N 2 2 255.362 -0.130 20 0 CBADLP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C[C@@H]1C ZINC000245421102 352320037 /nfs/dbraw/zinc/32/00/37/352320037.db2.gz HUUWLNROSIZVEU-AVGNSLFASA-N 2 2 285.388 -0.770 20 0 CBADLP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C[C@@H]1C ZINC000245421102 352320040 /nfs/dbraw/zinc/32/00/40/352320040.db2.gz HUUWLNROSIZVEU-AVGNSLFASA-N 2 2 285.388 -0.770 20 0 CBADLP C[NH2+]C[C@H](C)C(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000237301598 352303100 /nfs/dbraw/zinc/30/31/00/352303100.db2.gz XLYQYUFFHPMLDT-RYUDHWBXSA-N 2 2 296.415 -0.347 20 0 CBADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@@H]1C ZINC000245421102 352320044 /nfs/dbraw/zinc/32/00/44/352320044.db2.gz HUUWLNROSIZVEU-AVGNSLFASA-N 2 2 285.388 -0.770 20 0 CBADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@@H]1C ZINC000245421102 352320046 /nfs/dbraw/zinc/32/00/46/352320046.db2.gz HUUWLNROSIZVEU-AVGNSLFASA-N 2 2 285.388 -0.770 20 0 CBADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000237427237 352304668 /nfs/dbraw/zinc/30/46/68/352304668.db2.gz KGZYSXZQMRKWNK-VXGBXAGGSA-N 2 2 294.399 -0.593 20 0 CBADLP C[C@@H]([NH3+])C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000237465576 352305914 /nfs/dbraw/zinc/30/59/14/352305914.db2.gz NGEMVWSANRUNSM-ZYHUDNBSSA-N 2 2 273.402 -0.342 20 0 CBADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)[C@H]1COCC[NH2+]1 ZINC000237467756 352306418 /nfs/dbraw/zinc/30/64/18/352306418.db2.gz DXRHMHXZFQXRHS-ZYHUDNBSSA-N 2 2 266.345 -0.068 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1CSC[NH2+]1)[NH+]1CCOCC1 ZINC000237576914 352307332 /nfs/dbraw/zinc/30/73/32/352307332.db2.gz HNHSXRJPCSDROJ-UWVGGRQHSA-N 2 2 259.375 -0.514 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1CCCC[NH2+]1)[NH+]1CCOCC1 ZINC000237595179 352307369 /nfs/dbraw/zinc/30/73/69/352307369.db2.gz BRPFRORBOXBHKY-NWDGAFQWSA-N 2 2 255.362 -0.035 20 0 CBADLP C[C@@H]1CCCC[N@@H+]1CCNC(=O)CN1CC[NH2+]CC1=O ZINC000237677731 352309362 /nfs/dbraw/zinc/30/93/62/352309362.db2.gz WABDNKHJZCKRCQ-GFCCVEGCSA-N 2 2 282.388 -0.591 20 0 CBADLP C[C@@H]1CCCC[N@H+]1CCNC(=O)CN1CC[NH2+]CC1=O ZINC000237677731 352309364 /nfs/dbraw/zinc/30/93/64/352309364.db2.gz WABDNKHJZCKRCQ-GFCCVEGCSA-N 2 2 282.388 -0.591 20 0 CBADLP O=C(NCCc1cn2ccccc2[nH+]1)[C@@H]1COCC[NH2+]1 ZINC000237900186 352311082 /nfs/dbraw/zinc/31/10/82/352311082.db2.gz MYPXJKFTGKHMLX-LBPRGKRZSA-N 2 2 274.324 -0.019 20 0 CBADLP OC[C@@H]1CCC[NH+](C[C@@H](O)C[N@H+]2CCC[C@H](CO)C2)C1 ZINC000245894695 352325895 /nfs/dbraw/zinc/32/58/95/352325895.db2.gz CUORCZQUUMYSNR-QDMKHBRRSA-N 2 2 286.416 -0.244 20 0 CBADLP OC[C@@H]1CCC[NH+](C[C@@H](O)C[N@@H+]2CCC[C@H](CO)C2)C1 ZINC000245894695 352325898 /nfs/dbraw/zinc/32/58/98/352325898.db2.gz CUORCZQUUMYSNR-QDMKHBRRSA-N 2 2 286.416 -0.244 20 0 CBADLP OC[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+]2CCC[C@H](CO)C2)C1 ZINC000245894695 352325902 /nfs/dbraw/zinc/32/59/02/352325902.db2.gz CUORCZQUUMYSNR-QDMKHBRRSA-N 2 2 286.416 -0.244 20 0 CBADLP OC[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+]2CCC[C@H](CO)C2)C1 ZINC000245894695 352325906 /nfs/dbraw/zinc/32/59/06/352325906.db2.gz CUORCZQUUMYSNR-QDMKHBRRSA-N 2 2 286.416 -0.244 20 0 CBADLP COC(=O)CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246390658 352332528 /nfs/dbraw/zinc/33/25/28/352332528.db2.gz PEBGTGRWGQZMMT-MNOVXSKESA-N 2 2 271.361 -0.452 20 0 CBADLP COC(=O)CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246390658 352332530 /nfs/dbraw/zinc/33/25/30/352332530.db2.gz PEBGTGRWGQZMMT-MNOVXSKESA-N 2 2 271.361 -0.452 20 0 CBADLP CC[C@@H]1CN(C(=O)[C@H]2COCC[NH2+]2)CC[N@@H+]1C[C@@H](C)O ZINC000246483475 352333783 /nfs/dbraw/zinc/33/37/83/352333783.db2.gz OUFVFNCKQUODFS-JHJVBQTASA-N 2 2 285.388 -0.722 20 0 CBADLP CC[C@@H]1CN(C(=O)[C@H]2COCC[NH2+]2)CC[N@H+]1C[C@@H](C)O ZINC000246483475 352333788 /nfs/dbraw/zinc/33/37/88/352333788.db2.gz OUFVFNCKQUODFS-JHJVBQTASA-N 2 2 285.388 -0.722 20 0 CBADLP CCOCC[N@@H+]1CCN(C(=O)[C@H]2COCC[NH2+]2)C[C@@H]1CC ZINC000246538682 352334808 /nfs/dbraw/zinc/33/48/08/352334808.db2.gz SIOMTXAOGJAIBG-UONOGXRCSA-N 2 2 299.415 -0.066 20 0 CBADLP CCOCC[N@H+]1CCN(C(=O)[C@H]2COCC[NH2+]2)C[C@@H]1CC ZINC000246538682 352334810 /nfs/dbraw/zinc/33/48/10/352334810.db2.gz SIOMTXAOGJAIBG-UONOGXRCSA-N 2 2 299.415 -0.066 20 0 CBADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)N3CCNC(=O)C3)CC[C@H]21 ZINC000247936727 352349367 /nfs/dbraw/zinc/34/93/67/352349367.db2.gz CPHRRSSBMMGGIK-CHWSQXEVSA-N 2 2 294.399 -0.639 20 0 CBADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)N3CCNC(=O)C3)CC[C@H]21 ZINC000247936727 352349370 /nfs/dbraw/zinc/34/93/70/352349370.db2.gz CPHRRSSBMMGGIK-CHWSQXEVSA-N 2 2 294.399 -0.639 20 0 CBADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)N3CCNC(=O)C3)CC[C@H]21 ZINC000247936727 352349372 /nfs/dbraw/zinc/34/93/72/352349372.db2.gz CPHRRSSBMMGGIK-CHWSQXEVSA-N 2 2 294.399 -0.639 20 0 CBADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)N3CCNC(=O)C3)CC[C@H]21 ZINC000247936727 352349377 /nfs/dbraw/zinc/34/93/77/352349377.db2.gz CPHRRSSBMMGGIK-CHWSQXEVSA-N 2 2 294.399 -0.639 20 0 CBADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000261897519 352399630 /nfs/dbraw/zinc/39/96/30/352399630.db2.gz ACEABTHXMAGSRG-YPMHNXCESA-N 2 2 293.371 -0.569 20 0 CBADLP CC[C@H](C(=O)N1CC[N@H+](CCO)[C@@H](C)C1)[NH+](C)C ZINC000249515774 352367326 /nfs/dbraw/zinc/36/73/26/352367326.db2.gz QSQBJKSVLSDDGS-NWDGAFQWSA-N 2 2 257.378 -0.148 20 0 CBADLP CC[C@H](C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1)[NH+](C)C ZINC000249515774 352367328 /nfs/dbraw/zinc/36/73/28/352367328.db2.gz QSQBJKSVLSDDGS-NWDGAFQWSA-N 2 2 257.378 -0.148 20 0 CBADLP CCNS(=O)(=O)[C@@H]1CC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000261880837 352399803 /nfs/dbraw/zinc/39/98/03/352399803.db2.gz QYDPLIGPAXOSRD-VXGBXAGGSA-N 2 2 275.418 0.000 20 0 CBADLP CCNS(=O)(=O)[C@@H]1CC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000261880837 352399806 /nfs/dbraw/zinc/39/98/06/352399806.db2.gz QYDPLIGPAXOSRD-VXGBXAGGSA-N 2 2 275.418 0.000 20 0 CBADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@H]1CSC[NH2+]1 ZINC000250398604 352371892 /nfs/dbraw/zinc/37/18/92/352371892.db2.gz RTIMPCVGSSAPBY-NXEZZACHSA-N 2 2 258.391 -0.989 20 0 CBADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@H]1CSC[NH2+]1 ZINC000250398604 352371895 /nfs/dbraw/zinc/37/18/95/352371895.db2.gz RTIMPCVGSSAPBY-NXEZZACHSA-N 2 2 258.391 -0.989 20 0 CBADLP CNC(=O)NC(=O)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000250377379 352372126 /nfs/dbraw/zinc/37/21/26/352372126.db2.gz KWSRLDRASLZLEK-WDEREUQCSA-N 2 2 268.361 -0.094 20 0 CBADLP CNC(=O)NC(=O)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000250377379 352372130 /nfs/dbraw/zinc/37/21/30/352372130.db2.gz KWSRLDRASLZLEK-WDEREUQCSA-N 2 2 268.361 -0.094 20 0 CBADLP O[C@H](CN1CCC[N@@H+](C2CC2)CC1)C[NH+]1CCOCC1 ZINC000250198999 352372487 /nfs/dbraw/zinc/37/24/87/352372487.db2.gz BFJDABMKIPKKLE-OAHLLOKOSA-N 2 2 283.416 -0.150 20 0 CBADLP O[C@H](CN1CCC[N@H+](C2CC2)CC1)C[NH+]1CCOCC1 ZINC000250198999 352372490 /nfs/dbraw/zinc/37/24/90/352372490.db2.gz BFJDABMKIPKKLE-OAHLLOKOSA-N 2 2 283.416 -0.150 20 0 CBADLP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(=O)NC)CC[C@@H]1[NH3+] ZINC000251670605 352375190 /nfs/dbraw/zinc/37/51/90/352375190.db2.gz HLZIYDUVKKHVLG-BBBLOLIVSA-N 2 2 256.350 -0.110 20 0 CBADLP CC[C@@H]1C[N@H+]([C@H](C)C(=O)NC(=O)NC)CC[C@@H]1[NH3+] ZINC000251670605 352375193 /nfs/dbraw/zinc/37/51/93/352375193.db2.gz HLZIYDUVKKHVLG-BBBLOLIVSA-N 2 2 256.350 -0.110 20 0 CBADLP C[C@@H]1C[N@H+](CC(=O)NC[C@H]2CCCO2)CC[C@H]1[NH3+] ZINC000251690925 352375255 /nfs/dbraw/zinc/37/52/55/352375255.db2.gz IIMISLYMMBQHJH-IJLUTSLNSA-N 2 2 255.362 -0.049 20 0 CBADLP C[C@@H]1C[N@@H+](CC(=O)NC[C@H]2CCCO2)CC[C@H]1[NH3+] ZINC000251690925 352375258 /nfs/dbraw/zinc/37/52/58/352375258.db2.gz IIMISLYMMBQHJH-IJLUTSLNSA-N 2 2 255.362 -0.049 20 0 CBADLP CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(=O)NC)CC[C@H]1[NH3+] ZINC000251670609 352375462 /nfs/dbraw/zinc/37/54/62/352375462.db2.gz HLZIYDUVKKHVLG-IVZWLZJFSA-N 2 2 256.350 -0.110 20 0 CBADLP CC[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(=O)NC)CC[C@H]1[NH3+] ZINC000251670609 352375465 /nfs/dbraw/zinc/37/54/65/352375465.db2.gz HLZIYDUVKKHVLG-IVZWLZJFSA-N 2 2 256.350 -0.110 20 0 CBADLP CCCNC(=O)NC(=O)C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252785081 352379248 /nfs/dbraw/zinc/37/92/48/352379248.db2.gz UPGZRKWBKNWHIX-UWVGGRQHSA-N 2 2 256.350 -0.109 20 0 CBADLP CCCNC(=O)NC(=O)C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252785081 352379251 /nfs/dbraw/zinc/37/92/51/352379251.db2.gz UPGZRKWBKNWHIX-UWVGGRQHSA-N 2 2 256.350 -0.109 20 0 CBADLP CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)[C@H](C[NH3+])C1CC1 ZINC000253176259 352381692 /nfs/dbraw/zinc/38/16/92/352381692.db2.gz PMDBWYKDNNXOFK-PSASIEDQSA-N 2 2 256.350 -0.110 20 0 CBADLP CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)[C@H](C[NH3+])C1CC1 ZINC000253176259 352381698 /nfs/dbraw/zinc/38/16/98/352381698.db2.gz PMDBWYKDNNXOFK-PSASIEDQSA-N 2 2 256.350 -0.110 20 0 CBADLP O=C(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CCOCC1 ZINC000261585207 352389096 /nfs/dbraw/zinc/38/90/96/352389096.db2.gz SVAIBNVMHKICCY-VXGBXAGGSA-N 2 2 253.346 -0.614 20 0 CBADLP O=C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CCOCC1 ZINC000261585207 352389099 /nfs/dbraw/zinc/38/90/99/352389099.db2.gz SVAIBNVMHKICCY-VXGBXAGGSA-N 2 2 253.346 -0.614 20 0 CBADLP O=C(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)NC(=O)NC1CC1 ZINC000261585700 352389740 /nfs/dbraw/zinc/38/97/40/352389740.db2.gz IODKJQRUNGLUFU-NXEZZACHSA-N 2 2 266.345 -0.484 20 0 CBADLP O=C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)NC(=O)NC1CC1 ZINC000261585700 352389743 /nfs/dbraw/zinc/38/97/43/352389743.db2.gz IODKJQRUNGLUFU-NXEZZACHSA-N 2 2 266.345 -0.484 20 0 CBADLP COC1(C(=O)NCC[NH+]2CCOCC2)CC[NH2+]CC1 ZINC000261586366 352390095 /nfs/dbraw/zinc/39/00/95/352390095.db2.gz IWCHTARCTFKDRW-UHFFFAOYSA-N 2 2 271.361 -0.797 20 0 CBADLP CCCNC(=O)NC(=O)C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261596626 352390590 /nfs/dbraw/zinc/39/05/90/352390590.db2.gz AIUVNHXDMSQRBV-GFCCVEGCSA-N 2 2 297.403 -0.798 20 0 CBADLP CCCNC(=O)NC(=O)C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261597126 352391170 /nfs/dbraw/zinc/39/11/70/352391170.db2.gz OSYZBCVYRCULMH-ZDUSSCGKSA-N 2 2 268.361 -0.092 20 0 CBADLP CCCNC(=O)NC(=O)C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261597126 352391174 /nfs/dbraw/zinc/39/11/74/352391174.db2.gz OSYZBCVYRCULMH-ZDUSSCGKSA-N 2 2 268.361 -0.092 20 0 CBADLP CC(=O)N1CCN(C(=O)C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000261626960 352391548 /nfs/dbraw/zinc/39/15/48/352391548.db2.gz HGCQLDABHBOJNX-OAHLLOKOSA-N 2 2 294.399 -0.638 20 0 CBADLP CC(=O)N1CCN(C(=O)C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000261626960 352391554 /nfs/dbraw/zinc/39/15/54/352391554.db2.gz HGCQLDABHBOJNX-OAHLLOKOSA-N 2 2 294.399 -0.638 20 0 CBADLP CC(=O)N1CCN(C(=O)C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000261626955 352391675 /nfs/dbraw/zinc/39/16/75/352391675.db2.gz HGCQLDABHBOJNX-HNNXBMFYSA-N 2 2 294.399 -0.638 20 0 CBADLP CC(=O)N1CCN(C(=O)C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000261626955 352391679 /nfs/dbraw/zinc/39/16/79/352391679.db2.gz HGCQLDABHBOJNX-HNNXBMFYSA-N 2 2 294.399 -0.638 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)CC[C@H]2CC[NH2+]C2)CC1 ZINC000261639108 352391992 /nfs/dbraw/zinc/39/19/92/352391992.db2.gz AAMOENNUTBWWKB-AWEZNQCLSA-N 2 2 296.415 -0.344 20 0 CBADLP C[C@H](NC(=O)[C@@H]1CC[C@H](C[NH3+])O1)[C@H](C)[NH+]1CCOCC1 ZINC000261778476 352396328 /nfs/dbraw/zinc/39/63/28/352396328.db2.gz MVTRFFGHXFHNAO-RVMXOQNASA-N 2 2 285.388 -0.282 20 0 CBADLP C[C@H]([C@H](C)NC(=O)[C@@H]1CC[C@H](C[NH3+])O1)[NH+]1CCOCC1 ZINC000261778471 352396539 /nfs/dbraw/zinc/39/65/39/352396539.db2.gz MVTRFFGHXFHNAO-LOWDOPEQSA-N 2 2 285.388 -0.282 20 0 CBADLP C[C@@H](O)C(=O)N1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000261877512 352398529 /nfs/dbraw/zinc/39/85/29/352398529.db2.gz QIAJFBJTMHBNDJ-DGCLKSJQSA-N 2 2 255.362 -0.489 20 0 CBADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)C2C[NH2+]C2)CC1 ZINC000262286103 352414352 /nfs/dbraw/zinc/41/43/52/352414352.db2.gz WSQCONSNXNFMQS-JTQLQIEISA-N 2 2 280.372 -0.983 20 0 CBADLP C[C@H]([C@H](C)NC(=O)C[C@@H]1COCC[NH2+]1)[NH+]1CCOCC1 ZINC000262335244 352416443 /nfs/dbraw/zinc/41/64/43/352416443.db2.gz HEZTVGBKMUKUCO-YNEHKIRRSA-N 2 2 285.388 -0.410 20 0 CBADLP O=C([C@H]1C[C@@]12CC[NH2+]C2)N1CC[NH+](CCO)CC1 ZINC000262413889 352421501 /nfs/dbraw/zinc/42/15/01/352421501.db2.gz QWKORUDZVHHBCH-DGCLKSJQSA-N 2 2 253.346 -0.878 20 0 CBADLP C[C@H](CNC(=O)C[C@H]1COCC[NH2+]1)[NH+]1CCOCC1 ZINC000262484119 352423482 /nfs/dbraw/zinc/42/34/82/352423482.db2.gz ZXIOCVAJEPAJKW-NEPJUHHUSA-N 2 2 271.361 -0.798 20 0 CBADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2COCC[NH2+]2)C1 ZINC000262628337 352428596 /nfs/dbraw/zinc/42/85/96/352428596.db2.gz CUBYDUYZSCRGHU-QWHCGFSZSA-N 2 2 285.388 -0.552 20 0 CBADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2COCC[NH2+]2)C1 ZINC000262628337 352428597 /nfs/dbraw/zinc/42/85/97/352428597.db2.gz CUBYDUYZSCRGHU-QWHCGFSZSA-N 2 2 285.388 -0.552 20 0 CBADLP C[C@H]1CCC[N@H+](CCNC(=O)[C@H]2COCC[NH2+]2)C1 ZINC000262653561 352429241 /nfs/dbraw/zinc/42/92/41/352429241.db2.gz BCGIKHSFTMEAAK-NWDGAFQWSA-N 2 2 255.362 -0.177 20 0 CBADLP C[C@H]1CCC[N@@H+](CCNC(=O)[C@H]2COCC[NH2+]2)C1 ZINC000262653561 352429244 /nfs/dbraw/zinc/42/92/44/352429244.db2.gz BCGIKHSFTMEAAK-NWDGAFQWSA-N 2 2 255.362 -0.177 20 0 CBADLP O=C([C@@H]1COCC[NH2+]1)N1CC[NH+](C2CCOCC2)CC1 ZINC000262675605 352430359 /nfs/dbraw/zinc/43/03/59/352430359.db2.gz RVEKZEOPHPBBAF-ZDUSSCGKSA-N 2 2 283.372 -0.702 20 0 CBADLP CO[C@H](C[NH3+])CC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000262930961 352436624 /nfs/dbraw/zinc/43/66/24/352436624.db2.gz SRVUVLOGMNNTHB-WOPDTQHZSA-N 2 2 273.377 -0.424 20 0 CBADLP [NH3+]CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000263066508 352438008 /nfs/dbraw/zinc/43/80/08/352438008.db2.gz WABZTOXCRUVUPB-NWDGAFQWSA-N 3 2 254.378 -0.475 20 0 CBADLP [NH3+]CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000263066508 352438009 /nfs/dbraw/zinc/43/80/09/352438009.db2.gz WABZTOXCRUVUPB-NWDGAFQWSA-N 3 2 254.378 -0.475 20 0 CBADLP CCNC(=O)CN1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000261994365 352403463 /nfs/dbraw/zinc/40/34/63/352403463.db2.gz KPSNNVJCAFHSSI-AWEZNQCLSA-N 2 2 268.405 -0.260 20 0 CBADLP CCNC(=O)C[NH+]1CCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000261994365 352403467 /nfs/dbraw/zinc/40/34/67/352403467.db2.gz KPSNNVJCAFHSSI-AWEZNQCLSA-N 2 2 268.405 -0.260 20 0 CBADLP C[C@@H]1CN(C(=O)C[C@H]2COCC[NH2+]2)C[C@@H]1[NH+]1CCOCC1 ZINC000262024138 352404322 /nfs/dbraw/zinc/40/43/22/352404322.db2.gz ATAZPXYFZMGKLF-RDBSUJKOSA-N 2 2 297.399 -0.456 20 0 CBADLP CN(C)c1ccc(CNC(=O)[C@H]2COCC[NH2+]2)c[nH+]1 ZINC000269242677 352464684 /nfs/dbraw/zinc/46/46/84/352464684.db2.gz RHALKDAOTWHATB-LLVKDONJSA-N 2 2 264.329 -0.248 20 0 CBADLP CN1CCN(c2cc(NCC[NH+](C)C)nc[nH+]2)CC1=O ZINC000274776927 352545404 /nfs/dbraw/zinc/54/54/04/352545404.db2.gz UJPJBHFQDQOHQX-UHFFFAOYSA-N 2 2 278.360 -0.272 20 0 CBADLP COCC[N@H+](CCc1c[nH+]cn1C)CC(=O)N(C)C ZINC000290068768 352671902 /nfs/dbraw/zinc/67/19/02/352671902.db2.gz PUGBNVRNTXEXGQ-UHFFFAOYSA-N 2 2 268.361 -0.001 20 0 CBADLP COCC[N@@H+](CCc1c[nH+]cn1C)CC(=O)N(C)C ZINC000290068768 352671904 /nfs/dbraw/zinc/67/19/04/352671904.db2.gz PUGBNVRNTXEXGQ-UHFFFAOYSA-N 2 2 268.361 -0.001 20 0 CBADLP C[N@H+](CCNC(=O)C(=O)NCCCn1cc[nH+]c1)C1CC1 ZINC000283257591 352621474 /nfs/dbraw/zinc/62/14/74/352621474.db2.gz MKQDSCZDOWRRKR-UHFFFAOYSA-N 2 2 293.371 -0.400 20 0 CBADLP C[N@@H+](CCNC(=O)C(=O)NCCCn1cc[nH+]c1)C1CC1 ZINC000283257591 352621477 /nfs/dbraw/zinc/62/14/77/352621477.db2.gz MKQDSCZDOWRRKR-UHFFFAOYSA-N 2 2 293.371 -0.400 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N[C@@H](C)Cn2cc[nH+]c2)CC1 ZINC000283768327 352629995 /nfs/dbraw/zinc/62/99/95/352629995.db2.gz CLQIVTDGQNMQLE-LBPRGKRZSA-N 2 2 293.371 -0.448 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N(C)CC[NH+](C)C ZINC000283752902 352630151 /nfs/dbraw/zinc/63/01/51/352630151.db2.gz AFQRVNOLJNRFTE-LLVKDONJSA-N 2 2 281.360 -0.592 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCCN(C(C)=O)CC1 ZINC000312599333 352775218 /nfs/dbraw/zinc/77/52/18/352775218.db2.gz RYMZGLDTPMHEDL-CQSZACIVSA-N 2 2 287.404 -0.520 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCCN(C(C)=O)CC1 ZINC000312599333 352775221 /nfs/dbraw/zinc/77/52/21/352775221.db2.gz RYMZGLDTPMHEDL-CQSZACIVSA-N 2 2 287.404 -0.520 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCCN(C(C)=O)CC1 ZINC000312599333 352775224 /nfs/dbraw/zinc/77/52/24/352775224.db2.gz RYMZGLDTPMHEDL-CQSZACIVSA-N 2 2 287.404 -0.520 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCCN(C(C)=O)CC1 ZINC000312599333 352775225 /nfs/dbraw/zinc/77/52/25/352775225.db2.gz RYMZGLDTPMHEDL-CQSZACIVSA-N 2 2 287.404 -0.520 20 0 CBADLP CNC(=O)C[NH+]1CCN(c2cc[nH+]cc2C(N)=O)CC1 ZINC000302046059 352739248 /nfs/dbraw/zinc/73/92/48/352739248.db2.gz UORBLXBOIZUXAG-UHFFFAOYSA-N 2 2 277.328 -0.952 20 0 CBADLP CN(CC[NH+]1CCOCC1)c1cc[nH+]cc1C(N)=O ZINC000302243110 352740198 /nfs/dbraw/zinc/74/01/98/352740198.db2.gz YWIVWVMECMKCQV-UHFFFAOYSA-N 2 2 264.329 -0.051 20 0 CBADLP Cc1nc(NCCN2CC[NH+](C)CC2)nc(N)[nH+]1 ZINC000302642606 352742152 /nfs/dbraw/zinc/74/21/52/352742152.db2.gz UBELDTFXWZCICP-UHFFFAOYSA-N 2 2 251.338 -0.578 20 0 CBADLP Cn1ncc2c1nc(NC[C@@](C)(O)C[NH+](C)C)[nH+]c2N ZINC000302873317 352744307 /nfs/dbraw/zinc/74/43/07/352744307.db2.gz CYHQAHBSLSTKQK-GFCCVEGCSA-N 2 2 279.348 -0.330 20 0 CBADLP CC1CCN(C(=[NH2+])NC[C@H](O)C[NH+]2CCOCC2)CC1 ZINC000303361781 352744413 /nfs/dbraw/zinc/74/44/13/352744413.db2.gz CXMJMBJGARBJSC-ZDUSSCGKSA-N 2 2 284.404 -0.064 20 0 CBADLP O=C(C[NH+]1CCCC1)N1CC[NH+](CCCO)CC1 ZINC000303412456 352745581 /nfs/dbraw/zinc/74/55/81/352745581.db2.gz YHEPFVIMUOWIMM-UHFFFAOYSA-N 2 2 255.362 -0.391 20 0 CBADLP CCS(=O)(=O)C[C@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000305759570 352750372 /nfs/dbraw/zinc/75/03/72/352750372.db2.gz CVVOKEQOJLCAAS-NWDGAFQWSA-N 2 2 278.418 -0.144 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](CO)C1 ZINC000310844948 352762107 /nfs/dbraw/zinc/76/21/07/352762107.db2.gz IEBWBYUJQDGCNJ-OLZOCXBDSA-N 2 2 260.378 -0.370 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](CO)C1 ZINC000310844948 352762111 /nfs/dbraw/zinc/76/21/11/352762111.db2.gz IEBWBYUJQDGCNJ-OLZOCXBDSA-N 2 2 260.378 -0.370 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](CO)C1 ZINC000310844948 352762114 /nfs/dbraw/zinc/76/21/14/352762114.db2.gz IEBWBYUJQDGCNJ-OLZOCXBDSA-N 2 2 260.378 -0.370 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](CO)C1 ZINC000310844948 352762118 /nfs/dbraw/zinc/76/21/18/352762118.db2.gz IEBWBYUJQDGCNJ-OLZOCXBDSA-N 2 2 260.378 -0.370 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000313168527 352776831 /nfs/dbraw/zinc/77/68/31/352776831.db2.gz UHRYWBKRYAJTCD-XQQFMLRXSA-N 2 2 287.404 -0.489 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000313168527 352776832 /nfs/dbraw/zinc/77/68/32/352776832.db2.gz UHRYWBKRYAJTCD-XQQFMLRXSA-N 2 2 287.404 -0.489 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000313168527 352776834 /nfs/dbraw/zinc/77/68/34/352776834.db2.gz UHRYWBKRYAJTCD-XQQFMLRXSA-N 2 2 287.404 -0.489 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000313168527 352776835 /nfs/dbraw/zinc/77/68/35/352776835.db2.gz UHRYWBKRYAJTCD-XQQFMLRXSA-N 2 2 287.404 -0.489 20 0 CBADLP C[C@@H]1[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)CCS1(=O)=O ZINC000310924035 352764253 /nfs/dbraw/zinc/76/42/53/352764253.db2.gz AXWONZQJYCQMDC-GRYCIOLGSA-N 2 2 276.402 -0.392 20 0 CBADLP CC[C@](C)([NH2+]C[C@H](O)C[N@H+](C)CCOC)C(N)=O ZINC000311152104 352765800 /nfs/dbraw/zinc/76/58/00/352765800.db2.gz NLTDJWRCGVQEJA-JQWIXIFHSA-N 2 2 261.366 -0.831 20 0 CBADLP CC[C@](C)([NH2+]C[C@H](O)C[N@@H+](C)CCOC)C(N)=O ZINC000311152104 352765801 /nfs/dbraw/zinc/76/58/01/352765801.db2.gz NLTDJWRCGVQEJA-JQWIXIFHSA-N 2 2 261.366 -0.831 20 0 CBADLP CC[N@@H+]1CCN(C[C@@H](O)C[NH+]2CCOCC2)C[C@H]1C ZINC000311250772 352766714 /nfs/dbraw/zinc/76/67/14/352766714.db2.gz IDRHGELYALNHRI-KGLIPLIRSA-N 2 2 271.405 -0.295 20 0 CBADLP CC[N@H+]1CCN(C[C@@H](O)C[NH+]2CCOCC2)C[C@H]1C ZINC000311250772 352766715 /nfs/dbraw/zinc/76/67/15/352766715.db2.gz IDRHGELYALNHRI-KGLIPLIRSA-N 2 2 271.405 -0.295 20 0 CBADLP C[N@@H+]1CCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)CC1(C)C ZINC000312022530 352773326 /nfs/dbraw/zinc/77/33/26/352773326.db2.gz VMMUXPXUYWYYJV-NSHDSACASA-N 2 2 291.417 -0.669 20 0 CBADLP C[N@H+]1CCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)CC1(C)C ZINC000312022530 352773327 /nfs/dbraw/zinc/77/33/27/352773327.db2.gz VMMUXPXUYWYYJV-NSHDSACASA-N 2 2 291.417 -0.669 20 0 CBADLP CS(=O)(=O)N[C@@H]1CC[N@H+](CCn2cc[nH+]c2)C1 ZINC000330364700 352813282 /nfs/dbraw/zinc/81/32/82/352813282.db2.gz UZHIVTTUBJNVJP-SNVBAGLBSA-N 2 2 258.347 -0.493 20 0 CBADLP CS(=O)(=O)N[C@@H]1CC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000330364700 352813285 /nfs/dbraw/zinc/81/32/85/352813285.db2.gz UZHIVTTUBJNVJP-SNVBAGLBSA-N 2 2 258.347 -0.493 20 0 CBADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000330367140 352815347 /nfs/dbraw/zinc/81/53/47/352815347.db2.gz NUOSAENZIPIYCF-LLVKDONJSA-N 2 2 272.374 -0.056 20 0 CBADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000330367140 352815350 /nfs/dbraw/zinc/81/53/50/352815350.db2.gz NUOSAENZIPIYCF-LLVKDONJSA-N 2 2 272.374 -0.056 20 0 CBADLP O[C@H](Cn1cccn1)C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000328602272 352784308 /nfs/dbraw/zinc/78/43/08/352784308.db2.gz GTPUIXOVROMIML-GJZGRUSLSA-N 2 2 294.399 -0.102 20 0 CBADLP O[C@H](Cn1cccn1)C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000328602272 352784311 /nfs/dbraw/zinc/78/43/11/352784311.db2.gz GTPUIXOVROMIML-GJZGRUSLSA-N 2 2 294.399 -0.102 20 0 CBADLP CCOC(=O)[C@](C)(O)C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000331062955 352873209 /nfs/dbraw/zinc/87/32/09/352873209.db2.gz OZGQORZMXHSKFP-CQSZACIVSA-N 2 2 296.371 -0.144 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)NC[C@@H](C)[NH+]2CCOCC2)[N@H+](C)C1 ZINC000330508654 352836351 /nfs/dbraw/zinc/83/63/51/352836351.db2.gz APWOYENVVGCZSV-AGIUHOORSA-N 2 2 285.388 -0.458 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)NC[C@@H](C)[NH+]2CCOCC2)[N@@H+](C)C1 ZINC000330508654 352836353 /nfs/dbraw/zinc/83/63/53/352836353.db2.gz APWOYENVVGCZSV-AGIUHOORSA-N 2 2 285.388 -0.458 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)NCCn2cc[nH+]c2)[N@H+](C)C1 ZINC000330553149 352846893 /nfs/dbraw/zinc/84/68/93/352846893.db2.gz YEZVAVAADCPWRY-QWRGUYRKSA-N 2 2 252.318 -0.282 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)NCCn2cc[nH+]c2)[N@@H+](C)C1 ZINC000330553149 352846898 /nfs/dbraw/zinc/84/68/98/352846898.db2.gz YEZVAVAADCPWRY-QWRGUYRKSA-N 2 2 252.318 -0.282 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000331395552 352911679 /nfs/dbraw/zinc/91/16/79/352911679.db2.gz NNHAUEAACNZUAP-GFCCVEGCSA-N 2 2 294.399 -0.497 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000331395552 352911681 /nfs/dbraw/zinc/91/16/81/352911681.db2.gz NNHAUEAACNZUAP-GFCCVEGCSA-N 2 2 294.399 -0.497 20 0 CBADLP COC(=O)C1(C[NH+]2CCN(C(=O)C[NH+](C)C)CC2)CC1 ZINC000331476686 352917647 /nfs/dbraw/zinc/91/76/47/352917647.db2.gz WWRVSYXNZLJOLS-UHFFFAOYSA-N 2 2 283.372 -0.355 20 0 CBADLP Cc1[nH+]ccn1CCC[N@@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000332104367 352935345 /nfs/dbraw/zinc/93/53/45/352935345.db2.gz FPKOUONCPDAZBC-LLVKDONJSA-N 2 2 277.328 -0.182 20 0 CBADLP Cc1[nH+]ccn1CCC[N@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000332104367 352935350 /nfs/dbraw/zinc/93/53/50/352935350.db2.gz FPKOUONCPDAZBC-LLVKDONJSA-N 2 2 277.328 -0.182 20 0 CBADLP C[C@H]1CN(C(=O)C(=O)N2CCn3cc[nH+]c3C2)[C@@H](C)C[NH2+]1 ZINC000332619270 352970652 /nfs/dbraw/zinc/97/06/52/352970652.db2.gz NKVKKTBUFZCSEG-QWRGUYRKSA-N 2 2 291.355 -0.566 20 0 CBADLP CN1CC[N@H+](C)[C@@H](CNC(=O)NC[C@H]2CCC[NH+]2C)C1 ZINC000332819824 352988079 /nfs/dbraw/zinc/98/80/79/352988079.db2.gz GPJCTKXOSCBFHL-OLZOCXBDSA-N 2 2 283.420 -0.374 20 0 CBADLP CN1CC[N@@H+](C)[C@@H](CNC(=O)NC[C@H]2CCC[NH+]2C)C1 ZINC000332819824 352988082 /nfs/dbraw/zinc/98/80/82/352988082.db2.gz GPJCTKXOSCBFHL-OLZOCXBDSA-N 2 2 283.420 -0.374 20 0 CBADLP CN1CC[NH+](C)[C@@H](CNC(=O)NC[C@H]2CCC[N@@H+]2C)C1 ZINC000332819824 352988084 /nfs/dbraw/zinc/98/80/84/352988084.db2.gz GPJCTKXOSCBFHL-OLZOCXBDSA-N 2 2 283.420 -0.374 20 0 CBADLP CN1CC[NH+](C)[C@@H](CNC(=O)NC[C@H]2CCC[N@H+]2C)C1 ZINC000332819824 352988085 /nfs/dbraw/zinc/98/80/85/352988085.db2.gz GPJCTKXOSCBFHL-OLZOCXBDSA-N 2 2 283.420 -0.374 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC000332265981 352941276 /nfs/dbraw/zinc/94/12/76/352941276.db2.gz WANCYGBLDYVOSO-QWHCGFSZSA-N 2 2 294.399 -0.782 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000332581329 352967993 /nfs/dbraw/zinc/96/79/93/352967993.db2.gz BSMKMMQRCWMCJF-QWHCGFSZSA-N 2 2 294.399 -0.782 20 0 CBADLP C[C@@H]1CN(C(=O)C(=O)N2CCn3c[nH+]cc3C2)[C@H](C)C[NH2+]1 ZINC000332592456 352968235 /nfs/dbraw/zinc/96/82/35/352968235.db2.gz GMTUPYQOHVETQP-GHMZBOCLSA-N 2 2 291.355 -0.566 20 0 CBADLP CC[N@@H+]1CC[C@@H](NC(=O)NC[C@@H]2C[NH+](C)CCO2)C1 ZINC000334050638 353018958 /nfs/dbraw/zinc/01/89/58/353018958.db2.gz RPEUUEOGSXGFBY-VXGBXAGGSA-N 2 2 270.377 -0.290 20 0 CBADLP CC[N@H+]1CC[C@@H](NC(=O)NC[C@@H]2C[NH+](C)CCO2)C1 ZINC000334050638 353018961 /nfs/dbraw/zinc/01/89/61/353018961.db2.gz RPEUUEOGSXGFBY-VXGBXAGGSA-N 2 2 270.377 -0.290 20 0 CBADLP CC[NH+]1CC[C@@H](NC(=O)NC[C@@H]2C[N@H+](C)CCO2)C1 ZINC000334050638 353018963 /nfs/dbraw/zinc/01/89/63/353018963.db2.gz RPEUUEOGSXGFBY-VXGBXAGGSA-N 2 2 270.377 -0.290 20 0 CBADLP CC[NH+]1CC[C@@H](NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000334050638 353018966 /nfs/dbraw/zinc/01/89/66/353018966.db2.gz RPEUUEOGSXGFBY-VXGBXAGGSA-N 2 2 270.377 -0.290 20 0 CBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1CCC[N@@H+]1C ZINC000333005436 352996039 /nfs/dbraw/zinc/99/60/39/352996039.db2.gz DUCZWJTZZZLFNG-QWHCGFSZSA-N 2 2 285.388 -0.768 20 0 CBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1CCC[N@H+]1C ZINC000333005436 352996041 /nfs/dbraw/zinc/99/60/41/352996041.db2.gz DUCZWJTZZZLFNG-QWHCGFSZSA-N 2 2 285.388 -0.768 20 0 CBADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CC(=O)NCC(=O)N1CCCC1 ZINC000333738356 353009353 /nfs/dbraw/zinc/00/93/53/353009353.db2.gz XFAPVYBESIGHPQ-LALPHHSUSA-N 2 2 296.415 -0.299 20 0 CBADLP CC1(C)C[N@H+](CCNC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CCO1 ZINC000333797891 353010927 /nfs/dbraw/zinc/01/09/27/353010927.db2.gz NPTIUZQGNWAAKS-BETUJISGSA-N 2 2 296.415 -0.042 20 0 CBADLP CC1(C)C[N@@H+](CCNC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CCO1 ZINC000333797891 353010929 /nfs/dbraw/zinc/01/09/29/353010929.db2.gz NPTIUZQGNWAAKS-BETUJISGSA-N 2 2 296.415 -0.042 20 0 CBADLP O[C@H](Cn1cccn1)C[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000336842472 353062928 /nfs/dbraw/zinc/06/29/28/353062928.db2.gz SGIHIUWNDWAJJR-ZDUSSCGKSA-N 2 2 290.371 -0.215 20 0 CBADLP O[C@@H](Cn1cccn1)C[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000336842471 353063357 /nfs/dbraw/zinc/06/33/57/353063357.db2.gz SGIHIUWNDWAJJR-CYBMUJFWSA-N 2 2 290.371 -0.215 20 0 CBADLP C[C@H]1COCC[C@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000336787922 353052156 /nfs/dbraw/zinc/05/21/56/353052156.db2.gz NGOXMMXFJBMYKT-NWDGAFQWSA-N 2 2 255.362 -0.225 20 0 CBADLP c1ncn(CC[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)n1 ZINC000336801476 353055987 /nfs/dbraw/zinc/05/59/87/353055987.db2.gz QFWVVYSXWNEYNO-ZDUSSCGKSA-N 2 2 265.361 -0.068 20 0 CBADLP c1ncn(CC[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)n1 ZINC000336801476 353055989 /nfs/dbraw/zinc/05/59/89/353055989.db2.gz QFWVVYSXWNEYNO-ZDUSSCGKSA-N 2 2 265.361 -0.068 20 0 CBADLP CC(C)(C(=O)NCC[NH+]1CCC1)[NH+]1CCOCC1 ZINC000338217481 353088958 /nfs/dbraw/zinc/08/89/58/353088958.db2.gz GRCAAAONXLQXDG-UHFFFAOYSA-N 2 2 255.362 -0.081 20 0 CBADLP C[C@@H](O)C[NH+]1CCN(CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000338365243 353098777 /nfs/dbraw/zinc/09/87/77/353098777.db2.gz LNKSGDJIZBZOPG-CQSZACIVSA-N 2 2 298.431 -0.851 20 0 CBADLP C[C@@H](O)CN1CC[NH+](CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000338365243 353098781 /nfs/dbraw/zinc/09/87/81/353098781.db2.gz LNKSGDJIZBZOPG-CQSZACIVSA-N 2 2 298.431 -0.851 20 0 CBADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@H](O)C2)C1 ZINC000152416643 188017786 /nfs/dbraw/zinc/01/77/86/188017786.db2.gz FICXBUQNBMLGLL-KBPBESRZSA-N 2 2 299.415 -0.474 20 0 CBADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@H](O)C2)C1 ZINC000152416643 188017788 /nfs/dbraw/zinc/01/77/88/188017788.db2.gz FICXBUQNBMLGLL-KBPBESRZSA-N 2 2 299.415 -0.474 20 0 CBADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CC[C@H](O)C2)C1 ZINC000152416643 188017789 /nfs/dbraw/zinc/01/77/89/188017789.db2.gz FICXBUQNBMLGLL-KBPBESRZSA-N 2 2 299.415 -0.474 20 0 CBADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CC[C@H](O)C2)C1 ZINC000152416643 188017791 /nfs/dbraw/zinc/01/77/91/188017791.db2.gz FICXBUQNBMLGLL-KBPBESRZSA-N 2 2 299.415 -0.474 20 0 CBADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@H](O)C2)C1 ZINC000152416531 188017868 /nfs/dbraw/zinc/01/78/68/188017868.db2.gz FICXBUQNBMLGLL-UONOGXRCSA-N 2 2 299.415 -0.474 20 0 CBADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@H](O)C2)C1 ZINC000152416531 188017869 /nfs/dbraw/zinc/01/78/69/188017869.db2.gz FICXBUQNBMLGLL-UONOGXRCSA-N 2 2 299.415 -0.474 20 0 CBADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CC[C@H](O)C2)C1 ZINC000152416531 188017871 /nfs/dbraw/zinc/01/78/71/188017871.db2.gz FICXBUQNBMLGLL-UONOGXRCSA-N 2 2 299.415 -0.474 20 0 CBADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC[C@H](O)C2)C1 ZINC000152416531 188017872 /nfs/dbraw/zinc/01/78/72/188017872.db2.gz FICXBUQNBMLGLL-UONOGXRCSA-N 2 2 299.415 -0.474 20 0 CBADLP C[N@@H+](CC(=O)N1CCNC1=O)C[C@H]1CCC[NH+](C)C1 ZINC000152462237 188020858 /nfs/dbraw/zinc/02/08/58/188020858.db2.gz LMRUCQKFPOPLIO-NSHDSACASA-N 2 2 268.361 -0.188 20 0 CBADLP C[N@H+](CC(=O)N1CCNC1=O)C[C@H]1CCC[NH+](C)C1 ZINC000152462237 188020860 /nfs/dbraw/zinc/02/08/60/188020860.db2.gz LMRUCQKFPOPLIO-NSHDSACASA-N 2 2 268.361 -0.188 20 0 CBADLP C[NH+](CC(=O)N1CCNC1=O)C[C@H]1CCC[N@H+](C)C1 ZINC000152462237 188020861 /nfs/dbraw/zinc/02/08/61/188020861.db2.gz LMRUCQKFPOPLIO-NSHDSACASA-N 2 2 268.361 -0.188 20 0 CBADLP C[NH+](CC(=O)N1CCNC1=O)C[C@H]1CCC[N@@H+](C)C1 ZINC000152462237 188020863 /nfs/dbraw/zinc/02/08/63/188020863.db2.gz LMRUCQKFPOPLIO-NSHDSACASA-N 2 2 268.361 -0.188 20 0 CBADLP CC[NH+]1CCC(NC(=O)C[N@H+](C)[C@H]2CCNC2=O)CC1 ZINC000340225852 353159176 /nfs/dbraw/zinc/15/91/76/353159176.db2.gz NOOAEADJMLQMOG-LBPRGKRZSA-N 2 2 282.388 -0.593 20 0 CBADLP CC[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H]2CCNC2=O)CC1 ZINC000340225852 353159178 /nfs/dbraw/zinc/15/91/78/353159178.db2.gz NOOAEADJMLQMOG-LBPRGKRZSA-N 2 2 282.388 -0.593 20 0 CBADLP C[C@H](CC(N)=O)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000340252951 353160761 /nfs/dbraw/zinc/16/07/61/353160761.db2.gz QDEAEFJDAGZUGX-LLVKDONJSA-N 2 2 299.419 -0.425 20 0 CBADLP CC[NH+](CC)CC(=O)N1CC[NH+]([C@H]2COC[C@@H]2O)CC1 ZINC000340286741 353162183 /nfs/dbraw/zinc/16/21/83/353162183.db2.gz UMEAIYRYZAINAP-STQMWFEESA-N 2 2 285.388 -0.768 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000341667318 353216763 /nfs/dbraw/zinc/21/67/63/353216763.db2.gz SADFVNYEBZNJQY-KBPBESRZSA-N 2 2 296.415 -0.929 20 0 CBADLP C[C@@H](CNC(=O)N1CC[NH+](C)CC1)C[NH+]1CCN(C)CC1 ZINC000341238231 353206839 /nfs/dbraw/zinc/20/68/39/353206839.db2.gz IFKCMENDMHGOEG-AWEZNQCLSA-N 2 2 297.447 -0.173 20 0 CBADLP C[C@@H](CNC(=O)N1CC[NH+](C)CC1)CN1CC[NH+](C)CC1 ZINC000341238231 353206840 /nfs/dbraw/zinc/20/68/40/353206840.db2.gz IFKCMENDMHGOEG-AWEZNQCLSA-N 2 2 297.447 -0.173 20 0 CBADLP C[C@@H](C(=O)N1CC[C@@H]([NH+](C)C)C1)[NH+]1CCOCC1 ZINC000342859773 353236236 /nfs/dbraw/zinc/23/62/36/353236236.db2.gz XYPHINUUAKZLHS-NWDGAFQWSA-N 2 2 255.362 -0.130 20 0 CBADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@@H]1CC[NH2+]CC1(F)F ZINC000343493132 353275883 /nfs/dbraw/zinc/27/58/83/353275883.db2.gz AYRQNNSOVAWWSC-QWRGUYRKSA-N 2 2 290.358 -0.407 20 0 CBADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@@H]1CC[NH2+]CC1(F)F ZINC000343493132 353275884 /nfs/dbraw/zinc/27/58/84/353275884.db2.gz AYRQNNSOVAWWSC-QWRGUYRKSA-N 2 2 290.358 -0.407 20 0 CBADLP CNC(=O)C[NH+]1CCC(N[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000343270625 353262716 /nfs/dbraw/zinc/26/27/16/353262716.db2.gz FLTFEQJNZLUTSM-AAEUAGOBSA-N 2 2 268.405 -0.264 20 0 CBADLP CNC(=O)C[NH+]1CCC(N[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000343270625 353262718 /nfs/dbraw/zinc/26/27/18/353262718.db2.gz FLTFEQJNZLUTSM-AAEUAGOBSA-N 2 2 268.405 -0.264 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC1(C(N)=O)CCOCC1 ZINC000343278120 353263058 /nfs/dbraw/zinc/26/30/58/353263058.db2.gz JGNQSKAUZULOSU-GHMZBOCLSA-N 2 2 255.362 -0.192 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1(C(N)=O)CCOCC1 ZINC000343278120 353263060 /nfs/dbraw/zinc/26/30/60/353263060.db2.gz JGNQSKAUZULOSU-GHMZBOCLSA-N 2 2 255.362 -0.192 20 0 CBADLP C[NH+](CCC[N@@H+](C)[C@H]1CCNC1=O)[C@H]1CCNC1=O ZINC000343291934 353264740 /nfs/dbraw/zinc/26/47/40/353264740.db2.gz IDSSIZOFXZLUGM-QWRGUYRKSA-N 2 2 268.361 -0.983 20 0 CBADLP C[NH+](CCC[N@H+](C)[C@H]1CCNC1=O)[C@H]1CCNC1=O ZINC000343291934 353264742 /nfs/dbraw/zinc/26/47/42/353264742.db2.gz IDSSIZOFXZLUGM-QWRGUYRKSA-N 2 2 268.361 -0.983 20 0 CBADLP C[NH+](CCC[N@@H+](C)[C@@H]1CCNC1=O)[C@@H]1CCNC1=O ZINC000343291932 353265224 /nfs/dbraw/zinc/26/52/24/353265224.db2.gz IDSSIZOFXZLUGM-GHMZBOCLSA-N 2 2 268.361 -0.983 20 0 CBADLP C[NH+](CCC[N@H+](C)[C@@H]1CCNC1=O)[C@@H]1CCNC1=O ZINC000343291932 353265228 /nfs/dbraw/zinc/26/52/28/353265228.db2.gz IDSSIZOFXZLUGM-GHMZBOCLSA-N 2 2 268.361 -0.983 20 0 CBADLP COCC[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000343636074 353282554 /nfs/dbraw/zinc/28/25/54/353282554.db2.gz ATWKKGDNWOGMGV-UHFFFAOYSA-N 2 2 255.362 -0.127 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCSC[C@H]2CO)CC1 ZINC000343771849 353290392 /nfs/dbraw/zinc/29/03/92/353290392.db2.gz SBTSFECYYIOJJD-LLVKDONJSA-N 2 2 273.402 -0.830 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CCSC[C@H]2CO)CC1 ZINC000343771849 353290394 /nfs/dbraw/zinc/29/03/94/353290394.db2.gz SBTSFECYYIOJJD-LLVKDONJSA-N 2 2 273.402 -0.830 20 0 CBADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000343896165 353297320 /nfs/dbraw/zinc/29/73/20/353297320.db2.gz WRGOUVUKHBNZMW-ZDUSSCGKSA-N 2 2 296.415 -0.344 20 0 CBADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000343896165 353297323 /nfs/dbraw/zinc/29/73/23/353297323.db2.gz WRGOUVUKHBNZMW-ZDUSSCGKSA-N 2 2 296.415 -0.344 20 0 CBADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000343896163 353297352 /nfs/dbraw/zinc/29/73/52/353297352.db2.gz WRGOUVUKHBNZMW-CYBMUJFWSA-N 2 2 296.415 -0.344 20 0 CBADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000343896163 353297353 /nfs/dbraw/zinc/29/73/53/353297353.db2.gz WRGOUVUKHBNZMW-CYBMUJFWSA-N 2 2 296.415 -0.344 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000345401117 353328121 /nfs/dbraw/zinc/32/81/21/353328121.db2.gz BDHOEPWEDMDJQA-STQMWFEESA-N 2 2 285.388 -0.504 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000345401117 353328125 /nfs/dbraw/zinc/32/81/25/353328125.db2.gz BDHOEPWEDMDJQA-STQMWFEESA-N 2 2 285.388 -0.504 20 0 CBADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000345407552 353328571 /nfs/dbraw/zinc/32/85/71/353328571.db2.gz QUPPRZDSYBMPCO-ZDUSSCGKSA-N 2 2 299.415 -0.114 20 0 CBADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000345407552 353328574 /nfs/dbraw/zinc/32/85/74/353328574.db2.gz QUPPRZDSYBMPCO-ZDUSSCGKSA-N 2 2 299.415 -0.114 20 0 CBADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000345407552 353328576 /nfs/dbraw/zinc/32/85/76/353328576.db2.gz QUPPRZDSYBMPCO-ZDUSSCGKSA-N 2 2 299.415 -0.114 20 0 CBADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000345407552 353328578 /nfs/dbraw/zinc/32/85/78/353328578.db2.gz QUPPRZDSYBMPCO-ZDUSSCGKSA-N 2 2 299.415 -0.114 20 0 CBADLP C[NH2+]CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000346015962 353358754 /nfs/dbraw/zinc/35/87/54/353358754.db2.gz NTZJIUJVENEABI-UHFFFAOYSA-N 2 2 289.343 -0.769 20 0 CBADLP Cn1cc(C[N@@H+]2CCC[C@@H]([NH3+])C2)c(=O)n(C)c1=O ZINC000346077831 353360617 /nfs/dbraw/zinc/36/06/17/353360617.db2.gz AWNCOXHAGTZNKB-SNVBAGLBSA-N 2 2 252.318 -0.993 20 0 CBADLP Cn1cc(C[N@H+]2CCC[C@@H]([NH3+])C2)c(=O)n(C)c1=O ZINC000346077831 353360620 /nfs/dbraw/zinc/36/06/20/353360620.db2.gz AWNCOXHAGTZNKB-SNVBAGLBSA-N 2 2 252.318 -0.993 20 0 CBADLP CC[NH+]1CCN(CC(=O)N2CC[NH+](CCOC)CC2)CC1 ZINC000345673933 353342631 /nfs/dbraw/zinc/34/26/31/353342631.db2.gz GSAYAECXSQDKNI-UHFFFAOYSA-N 2 2 298.431 -0.586 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]([NH3+])CC(F)F ZINC000345688467 353343702 /nfs/dbraw/zinc/34/37/02/353343702.db2.gz IRBWAQNUVKTYDZ-BDAKNGLRSA-N 2 2 265.304 -0.194 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]([NH3+])CC(F)F ZINC000345688467 353343705 /nfs/dbraw/zinc/34/37/05/353343705.db2.gz IRBWAQNUVKTYDZ-BDAKNGLRSA-N 2 2 265.304 -0.194 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]([NH3+])CC(F)F)[NH+]1CCOCC1 ZINC000345749341 353346160 /nfs/dbraw/zinc/34/61/60/353346160.db2.gz SUZOKZQCGSXPKI-IUCAKERBSA-N 2 2 265.304 -0.194 20 0 CBADLP CS(=O)(=O)N[C@@H]1CC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000346990998 353394327 /nfs/dbraw/zinc/39/43/27/353394327.db2.gz SMQYGWJOYOWSKQ-GHMZBOCLSA-N 2 2 261.391 -0.391 20 0 CBADLP CS(=O)(=O)N[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000346990998 353394331 /nfs/dbraw/zinc/39/43/31/353394331.db2.gz SMQYGWJOYOWSKQ-GHMZBOCLSA-N 2 2 261.391 -0.391 20 0 CBADLP C[C@@H](C(=O)N1CC[N@H+](C)C[C@@H]1C)N1CC[NH+](C)CC1 ZINC000346247946 353367955 /nfs/dbraw/zinc/36/79/55/353367955.db2.gz WQRCEYMLCAKREA-STQMWFEESA-N 2 2 268.405 -0.215 20 0 CBADLP C[C@@H](C(=O)N1CC[N@@H+](C)C[C@@H]1C)N1CC[NH+](C)CC1 ZINC000346247946 353367958 /nfs/dbraw/zinc/36/79/58/353367958.db2.gz WQRCEYMLCAKREA-STQMWFEESA-N 2 2 268.405 -0.215 20 0 CBADLP C[NH+](C)Cc1cnc(C[NH+]2C[C@H](O)[C@@H](O)C2)s1 ZINC000348403308 353422269 /nfs/dbraw/zinc/42/22/69/353422269.db2.gz DLPRAEVULDLFEO-UWVGGRQHSA-N 2 2 257.359 -0.258 20 0 CBADLP C[NH+](C)Cc1cnc(C[NH+]2C[C@@H](O)[C@H](O)C2)s1 ZINC000348403306 353422396 /nfs/dbraw/zinc/42/23/96/353422396.db2.gz DLPRAEVULDLFEO-NXEZZACHSA-N 2 2 257.359 -0.258 20 0 CBADLP C[C@H](C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)n1cncn1 ZINC000348557388 353428000 /nfs/dbraw/zinc/42/80/00/353428000.db2.gz SIZCMEANYIMEEK-GFCCVEGCSA-N 2 2 294.403 -0.019 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000347974422 353402679 /nfs/dbraw/zinc/40/26/79/353402679.db2.gz KUXYZZJTPQRYCT-OLZOCXBDSA-N 2 2 296.415 -0.251 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000347974422 353402682 /nfs/dbraw/zinc/40/26/82/353402682.db2.gz KUXYZZJTPQRYCT-OLZOCXBDSA-N 2 2 296.415 -0.251 20 0 CBADLP C[NH+](C)CC(=O)NCCCC(C)(C)NC(=O)C[NH+](C)C ZINC000348022916 353405838 /nfs/dbraw/zinc/40/58/38/353405838.db2.gz ONUUXOKWBAKYEJ-UHFFFAOYSA-N 2 2 286.420 -0.099 20 0 CBADLP O=C(CCOC1C[NH2+]C1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000349006127 353443707 /nfs/dbraw/zinc/44/37/07/353443707.db2.gz SUMJPLOVBNZWQZ-ZDUSSCGKSA-N 2 2 297.399 -0.312 20 0 CBADLP C(C[NH+]1CCOCC1)C[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000348780248 353434529 /nfs/dbraw/zinc/43/45/29/353434529.db2.gz YUWPFEKPFCQERD-CQSZACIVSA-N 2 2 269.389 -0.275 20 0 CBADLP C(C[NH+]1CCOCC1)C[N@H+]1CCN2CCOC[C@H]2C1 ZINC000348780248 353434530 /nfs/dbraw/zinc/43/45/30/353434530.db2.gz YUWPFEKPFCQERD-CQSZACIVSA-N 2 2 269.389 -0.275 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NCC[NH+](C)C ZINC000348785706 353434997 /nfs/dbraw/zinc/43/49/97/353434997.db2.gz DBLRVXDQYLHAQT-UHFFFAOYSA-N 2 2 258.366 -0.879 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NCC[NH+](C)C ZINC000348785706 353435000 /nfs/dbraw/zinc/43/50/00/353435000.db2.gz DBLRVXDQYLHAQT-UHFFFAOYSA-N 2 2 258.366 -0.879 20 0 CBADLP Cn1nncc1C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000352544983 353491533 /nfs/dbraw/zinc/49/15/33/353491533.db2.gz FNDBDCREZGTMAO-NSHDSACASA-N 2 2 250.350 -0.705 20 0 CBADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CC[NH+](C2CC2)CC1 ZINC000350050102 353470834 /nfs/dbraw/zinc/47/08/34/353470834.db2.gz MYLOYCMHBIPXPG-CQSZACIVSA-N 2 2 295.431 -0.278 20 0 CBADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CC[NH+](C2CC2)CC1 ZINC000350050102 353470835 /nfs/dbraw/zinc/47/08/35/353470835.db2.gz MYLOYCMHBIPXPG-CQSZACIVSA-N 2 2 295.431 -0.278 20 0 CBADLP C[N@H+](C[C@@H](O)C[NH+]1CCSC[C@@H]1CO)C1CC1 ZINC000351713828 353476535 /nfs/dbraw/zinc/47/65/35/353476535.db2.gz XEDRPQISOPZBMB-NWDGAFQWSA-N 2 2 260.403 -0.149 20 0 CBADLP C[N@@H+](C[C@@H](O)C[NH+]1CCSC[C@@H]1CO)C1CC1 ZINC000351713828 353476537 /nfs/dbraw/zinc/47/65/37/353476537.db2.gz XEDRPQISOPZBMB-NWDGAFQWSA-N 2 2 260.403 -0.149 20 0 CBADLP C[NH+](C[C@@H](O)C[N@@H+]1CCSC[C@@H]1CO)C1CC1 ZINC000351713828 353476538 /nfs/dbraw/zinc/47/65/38/353476538.db2.gz XEDRPQISOPZBMB-NWDGAFQWSA-N 2 2 260.403 -0.149 20 0 CBADLP C[NH+](C[C@@H](O)C[N@H+]1CCSC[C@@H]1CO)C1CC1 ZINC000351713828 353476540 /nfs/dbraw/zinc/47/65/40/353476540.db2.gz XEDRPQISOPZBMB-NWDGAFQWSA-N 2 2 260.403 -0.149 20 0 CBADLP C[N@H+](C[C@H](O)C[NH+]1CCSC[C@H]1CO)C1CC1 ZINC000351713827 353477001 /nfs/dbraw/zinc/47/70/01/353477001.db2.gz XEDRPQISOPZBMB-NEPJUHHUSA-N 2 2 260.403 -0.149 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH+]1CCSC[C@H]1CO)C1CC1 ZINC000351713827 353477004 /nfs/dbraw/zinc/47/70/04/353477004.db2.gz XEDRPQISOPZBMB-NEPJUHHUSA-N 2 2 260.403 -0.149 20 0 CBADLP C[NH+](C[C@H](O)C[N@@H+]1CCSC[C@H]1CO)C1CC1 ZINC000351713827 353477006 /nfs/dbraw/zinc/47/70/06/353477006.db2.gz XEDRPQISOPZBMB-NEPJUHHUSA-N 2 2 260.403 -0.149 20 0 CBADLP C[NH+](C[C@H](O)C[N@H+]1CCSC[C@H]1CO)C1CC1 ZINC000351713827 353477009 /nfs/dbraw/zinc/47/70/09/353477009.db2.gz XEDRPQISOPZBMB-NEPJUHHUSA-N 2 2 260.403 -0.149 20 0 CBADLP NC(=O)C[C@H]([NH3+])C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000353031814 353517594 /nfs/dbraw/zinc/51/75/94/353517594.db2.gz FIOBAJFBNOTDJI-VIFPVBQESA-N 2 2 295.730 -0.193 20 0 CBADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC[NH+]1CCOCC1 ZINC000353052478 353519101 /nfs/dbraw/zinc/51/91/01/353519101.db2.gz PRVLLGBKFNSJJL-RYUDHWBXSA-N 2 2 255.362 -0.177 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH+]2CCOC[C@H]2C)C1 ZINC000353119135 353521634 /nfs/dbraw/zinc/52/16/34/353521634.db2.gz YWDXAEXTHABLHJ-CHWSQXEVSA-N 2 2 285.388 -0.456 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH+]2CCOC[C@H]2C)C1 ZINC000353119135 353521638 /nfs/dbraw/zinc/52/16/38/353521638.db2.gz YWDXAEXTHABLHJ-CHWSQXEVSA-N 2 2 285.388 -0.456 20 0 CBADLP CC[NH+]1CCO[C@@H](C(=O)NCC[N@@H+]2CCOC[C@H]2C)C1 ZINC000353119135 353521640 /nfs/dbraw/zinc/52/16/40/353521640.db2.gz YWDXAEXTHABLHJ-CHWSQXEVSA-N 2 2 285.388 -0.456 20 0 CBADLP CC[NH+]1CCO[C@@H](C(=O)NCC[N@H+]2CCOC[C@H]2C)C1 ZINC000353119135 353521643 /nfs/dbraw/zinc/52/16/43/353521643.db2.gz YWDXAEXTHABLHJ-CHWSQXEVSA-N 2 2 285.388 -0.456 20 0 CBADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCn1cc(CO)nn1 ZINC000353193484 353526997 /nfs/dbraw/zinc/52/69/97/353526997.db2.gz NWTGCJMLVCUADT-JQWIXIFHSA-N 2 2 253.350 -0.300 20 0 CBADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCn1cc(CO)nn1 ZINC000353193484 353527001 /nfs/dbraw/zinc/52/70/01/353527001.db2.gz NWTGCJMLVCUADT-JQWIXIFHSA-N 2 2 253.350 -0.300 20 0 CBADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCCn1cc(CO)nn1 ZINC000353193483 353527093 /nfs/dbraw/zinc/52/70/93/353527093.db2.gz NWTGCJMLVCUADT-CMPLNLGQSA-N 2 2 253.350 -0.300 20 0 CBADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCn1cc(CO)nn1 ZINC000353193483 353527094 /nfs/dbraw/zinc/52/70/94/353527094.db2.gz NWTGCJMLVCUADT-CMPLNLGQSA-N 2 2 253.350 -0.300 20 0 CBADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C2([NH3+])CC2)CC1 ZINC000353207321 353527594 /nfs/dbraw/zinc/52/75/94/353527594.db2.gz RQGXHIVPURBISB-JTQLQIEISA-N 2 2 269.345 -0.427 20 0 CBADLP CC[NH+](CC(N)=O)CC(C)C[N@@H+](CC)CC(N)=O ZINC000355557642 353594500 /nfs/dbraw/zinc/59/45/00/353594500.db2.gz LSLNJYBPXKGGHQ-UHFFFAOYSA-N 2 2 258.366 -0.763 20 0 CBADLP CC[NH+](CC(N)=O)CC(C)C[N@H+](CC)CC(N)=O ZINC000355557642 353594502 /nfs/dbraw/zinc/59/45/02/353594502.db2.gz LSLNJYBPXKGGHQ-UHFFFAOYSA-N 2 2 258.366 -0.763 20 0 CBADLP C[NH+](C)Cc1cc(C(=O)NC[C@H]2C[N@H+](C)CCO2)no1 ZINC000355577562 353595188 /nfs/dbraw/zinc/59/51/88/353595188.db2.gz RTQJNWZMPNJUTN-NSHDSACASA-N 2 2 282.344 -0.203 20 0 CBADLP C[NH+](C)Cc1cc(C(=O)NC[C@H]2C[N@@H+](C)CCO2)no1 ZINC000355577562 353595191 /nfs/dbraw/zinc/59/51/91/353595191.db2.gz RTQJNWZMPNJUTN-NSHDSACASA-N 2 2 282.344 -0.203 20 0 CBADLP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000356757780 353599242 /nfs/dbraw/zinc/59/92/42/353599242.db2.gz AQNRYVRVWRAECE-MGPQQGTHSA-N 2 2 297.399 -0.361 20 0 CBADLP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000356757780 353599245 /nfs/dbraw/zinc/59/92/45/353599245.db2.gz AQNRYVRVWRAECE-MGPQQGTHSA-N 2 2 297.399 -0.361 20 0 CBADLP C[NH+](C)Cc1cc(C(=O)NC[C@@]2(O)CC[N@H+](C)C2)no1 ZINC000358058255 353621968 /nfs/dbraw/zinc/62/19/68/353621968.db2.gz CJZFNBLJLCOSRX-ZDUSSCGKSA-N 2 2 282.344 -0.467 20 0 CBADLP C[NH+](C)Cc1cc(C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)no1 ZINC000358058255 353621971 /nfs/dbraw/zinc/62/19/71/353621971.db2.gz CJZFNBLJLCOSRX-ZDUSSCGKSA-N 2 2 282.344 -0.467 20 0 CBADLP C[N@@H+]1CC[C@](O)(CNC(=O)NCCn2cc[nH+]c2)C1 ZINC000357734201 353604875 /nfs/dbraw/zinc/60/48/75/353604875.db2.gz VUNSUVNOZGCBNA-LBPRGKRZSA-N 2 2 267.333 -0.751 20 0 CBADLP C[N@H+]1CC[C@](O)(CNC(=O)NCCn2cc[nH+]c2)C1 ZINC000357734201 353604878 /nfs/dbraw/zinc/60/48/78/353604878.db2.gz VUNSUVNOZGCBNA-LBPRGKRZSA-N 2 2 267.333 -0.751 20 0 CBADLP CN(C)c1ccc(CNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)c[nH+]1 ZINC000357900047 353612799 /nfs/dbraw/zinc/61/27/99/353612799.db2.gz ASWCMTZNYWSXMT-GHMZBOCLSA-N 2 2 264.329 -0.513 20 0 CBADLP CN(C)c1ccc(CNC(=O)[C@@H]2C[C@H](O)C[NH2+]2)c[nH+]1 ZINC000357900049 353613103 /nfs/dbraw/zinc/61/31/03/353613103.db2.gz ASWCMTZNYWSXMT-QWRGUYRKSA-N 2 2 264.329 -0.513 20 0 CBADLP CN(C)c1ccc(CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)c[nH+]1 ZINC000357900050 353613170 /nfs/dbraw/zinc/61/31/70/353613170.db2.gz ASWCMTZNYWSXMT-WDEREUQCSA-N 2 2 264.329 -0.513 20 0 CBADLP CN(C)c1[nH+]cccc1CNC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000357928350 353615046 /nfs/dbraw/zinc/61/50/46/353615046.db2.gz RPRFQTSCRCWQMR-QWRGUYRKSA-N 2 2 264.329 -0.513 20 0 CBADLP C[NH2+]C[C@@H](C)C(=O)N1CCC[N@H+](CC(=O)NC(C)C)CC1 ZINC000361717447 353663425 /nfs/dbraw/zinc/66/34/25/353663425.db2.gz DJRNDIDAXYCIMA-CYBMUJFWSA-N 2 2 298.431 -0.099 20 0 CBADLP C[NH2+]C[C@@H](C)C(=O)N1CCC[N@@H+](CC(=O)NC(C)C)CC1 ZINC000361717447 353663428 /nfs/dbraw/zinc/66/34/28/353663428.db2.gz DJRNDIDAXYCIMA-CYBMUJFWSA-N 2 2 298.431 -0.099 20 0 CBADLP COCCOCC[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362827579 353668463 /nfs/dbraw/zinc/66/84/63/353668463.db2.gz AECHZWZMSCTECX-CYBMUJFWSA-N 2 2 285.388 -0.454 20 0 CBADLP CC[C@@H](C(=O)N1CCC[N@H+](CC(=O)NC)CC1)[NH+](C)C ZINC000370676971 353691636 /nfs/dbraw/zinc/69/16/36/353691636.db2.gz PQTJNGWLZIJWLC-LBPRGKRZSA-N 2 2 284.404 -0.393 20 0 CBADLP CC[C@@H](C(=O)N1CCC[N@@H+](CC(=O)NC)CC1)[NH+](C)C ZINC000370676971 353691640 /nfs/dbraw/zinc/69/16/40/353691640.db2.gz PQTJNGWLZIJWLC-LBPRGKRZSA-N 2 2 284.404 -0.393 20 0 CBADLP O=C([C@@H]1COCC[NH2+]1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000372098589 353710873 /nfs/dbraw/zinc/71/08/73/353710873.db2.gz LNDIZBJWFRKIDN-AVGNSLFASA-N 2 2 283.372 -0.968 20 0 CBADLP O=C(NC[C@@H](O)C[NH+]1CCOCC1)[C@H]1C[NH+]2CCC1CC2 ZINC000372285313 353714088 /nfs/dbraw/zinc/71/40/88/353714088.db2.gz LHDAWIRIUCLNRK-KGLIPLIRSA-N 2 2 297.399 -0.863 20 0 CBADLP CC[N@@H+]1CCOC[C@H]1C(=O)NCCCC[NH+]1CCOCC1 ZINC000372842234 353722515 /nfs/dbraw/zinc/72/25/15/353722515.db2.gz VVESLKISLSPBOL-AWEZNQCLSA-N 2 2 299.415 -0.064 20 0 CBADLP CC[N@H+]1CCOC[C@H]1C(=O)NCCCC[NH+]1CCOCC1 ZINC000372842234 353722519 /nfs/dbraw/zinc/72/25/19/353722519.db2.gz VVESLKISLSPBOL-AWEZNQCLSA-N 2 2 299.415 -0.064 20 0 CBADLP C[C@@H](C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1)[NH+]1CCN(C)CC1 ZINC000373251645 353729568 /nfs/dbraw/zinc/72/95/68/353729568.db2.gz XPEUGOSGQJVSDS-MELADBBJSA-N 2 2 280.416 -0.358 20 0 CBADLP C[C@@H](C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1)[NH+]1CCN(C)CC1 ZINC000373251645 353729571 /nfs/dbraw/zinc/72/95/71/353729571.db2.gz XPEUGOSGQJVSDS-MELADBBJSA-N 2 2 280.416 -0.358 20 0 CBADLP COC[C@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)CCO1 ZINC000374796754 353749133 /nfs/dbraw/zinc/74/91/33/353749133.db2.gz VTSLCDXZRTXKPJ-CYBMUJFWSA-N 2 2 285.388 -0.502 20 0 CBADLP COC[C@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)CCO1 ZINC000374796754 353749134 /nfs/dbraw/zinc/74/91/34/353749134.db2.gz VTSLCDXZRTXKPJ-CYBMUJFWSA-N 2 2 285.388 -0.502 20 0 CBADLP C[C@H]([NH3+])C(=O)N1CC[N@H+](C[C@H]2CN(C)CCO2)C[C@@H]1C ZINC000374798508 353749502 /nfs/dbraw/zinc/74/95/02/353749502.db2.gz JVFCKNVKPSYVCB-RWMBFGLXSA-N 2 2 284.404 -0.803 20 0 CBADLP C[C@H]([NH3+])C(=O)N1CC[N@@H+](C[C@H]2CN(C)CCO2)C[C@@H]1C ZINC000374798508 353749503 /nfs/dbraw/zinc/74/95/03/353749503.db2.gz JVFCKNVKPSYVCB-RWMBFGLXSA-N 2 2 284.404 -0.803 20 0 CBADLP CCOC(=O)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000374998701 353752113 /nfs/dbraw/zinc/75/21/13/353752113.db2.gz NZLXOUJQVKTVDE-UHFFFAOYSA-N 2 2 286.372 -0.291 20 0 CBADLP C[NH+]1CCN(C(=O)CN2CC[C@H]3CC[N@H+](C)C[C@H]32)CC1 ZINC000375229766 353755905 /nfs/dbraw/zinc/75/59/05/353755905.db2.gz OYJGECRROZFSEX-ZIAGYGMSSA-N 2 2 280.416 -0.214 20 0 CBADLP CC[C@@H](CO)[NH+]1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000375421462 353760431 /nfs/dbraw/zinc/76/04/31/353760431.db2.gz HSRABRYRJPQCIY-WDEREUQCSA-N 2 2 291.342 -0.101 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H]3OCC[C@H]3C2)CC1 ZINC000376047798 353770216 /nfs/dbraw/zinc/77/02/16/353770216.db2.gz OQAXUSBLMMSDAG-QWHCGFSZSA-N 2 2 267.373 -0.129 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H]3OCC[C@H]3C2)CC1 ZINC000376047798 353770220 /nfs/dbraw/zinc/77/02/20/353770220.db2.gz OQAXUSBLMMSDAG-QWHCGFSZSA-N 2 2 267.373 -0.129 20 0 CBADLP CCC[C@H]([NH3+])C(=O)N1CCC[N@H+](CC(=O)NC)CC1 ZINC000376822603 353775962 /nfs/dbraw/zinc/77/59/62/353775962.db2.gz KQRRSNZWROIEIO-NSHDSACASA-N 2 2 270.377 -0.606 20 0 CBADLP CCC[C@H]([NH3+])C(=O)N1CCC[N@@H+](CC(=O)NC)CC1 ZINC000376822603 353775966 /nfs/dbraw/zinc/77/59/66/353775966.db2.gz KQRRSNZWROIEIO-NSHDSACASA-N 2 2 270.377 -0.606 20 0 CBADLP C[NH2+]C[C@@H](C)C(=O)N1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000378209735 353780213 /nfs/dbraw/zinc/78/02/13/353780213.db2.gz LCNGXEJZRRYRRA-OLZOCXBDSA-N 2 2 296.415 -0.345 20 0 CBADLP CCC[C@@H]([NH3+])C(=O)N1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000378208163 353780385 /nfs/dbraw/zinc/78/03/85/353780385.db2.gz GHMQGKWBTMKUHC-CHWSQXEVSA-N 2 2 296.415 -0.073 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](O)CC1 ZINC000378675279 353781741 /nfs/dbraw/zinc/78/17/41/353781741.db2.gz OFOURAHJSCOMAH-STQMWFEESA-N 2 2 260.378 -0.228 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](O)CC1 ZINC000378675279 353781742 /nfs/dbraw/zinc/78/17/42/353781742.db2.gz OFOURAHJSCOMAH-STQMWFEESA-N 2 2 260.378 -0.228 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](O)CC1 ZINC000378675279 353781744 /nfs/dbraw/zinc/78/17/44/353781744.db2.gz OFOURAHJSCOMAH-STQMWFEESA-N 2 2 260.378 -0.228 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](O)CC1 ZINC000378675279 353781746 /nfs/dbraw/zinc/78/17/46/353781746.db2.gz OFOURAHJSCOMAH-STQMWFEESA-N 2 2 260.378 -0.228 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](C(=O)OC)C1 ZINC000380527748 353782687 /nfs/dbraw/zinc/78/26/87/353782687.db2.gz JZTNUVNHTJTCOW-QWHCGFSZSA-N 2 2 288.388 -0.190 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](C(=O)OC)C1 ZINC000380527748 353782692 /nfs/dbraw/zinc/78/26/92/353782692.db2.gz JZTNUVNHTJTCOW-QWHCGFSZSA-N 2 2 288.388 -0.190 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](C(=O)OC)C1 ZINC000380527748 353782694 /nfs/dbraw/zinc/78/26/94/353782694.db2.gz JZTNUVNHTJTCOW-QWHCGFSZSA-N 2 2 288.388 -0.190 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](C(=O)OC)C1 ZINC000380527748 353782695 /nfs/dbraw/zinc/78/26/95/353782695.db2.gz JZTNUVNHTJTCOW-QWHCGFSZSA-N 2 2 288.388 -0.190 20 0 CBADLP CN(C)S(=O)(=O)CC[N@H+](C)CC(C)(C)C[NH3+] ZINC000380818085 353783332 /nfs/dbraw/zinc/78/33/32/353783332.db2.gz LQPFWIAINMJLMU-UHFFFAOYSA-N 2 2 251.396 -0.206 20 0 CBADLP CN(C)S(=O)(=O)CC[N@@H+](C)CC(C)(C)C[NH3+] ZINC000380818085 353783334 /nfs/dbraw/zinc/78/33/34/353783334.db2.gz LQPFWIAINMJLMU-UHFFFAOYSA-N 2 2 251.396 -0.206 20 0 CBADLP CC(C)[NH+]1CCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000382386894 353783957 /nfs/dbraw/zinc/78/39/57/353783957.db2.gz SSXWZUNYAZZHMM-GFCCVEGCSA-N 2 2 291.417 -0.669 20 0 CBADLP C[C@@H]([NH3+])[C@H](C)C(=O)N1CC[NH+](C2(C(N)=O)CCCC2)CC1 ZINC000373798749 353736598 /nfs/dbraw/zinc/73/65/98/353736598.db2.gz FRJUGCYWLXWJPL-NWDGAFQWSA-N 2 2 296.415 -0.088 20 0 CBADLP C[C@H]([N@H+](C)CC(=O)N1CC[NH+](C)CC1)C(C)(C)O ZINC000383000471 353785100 /nfs/dbraw/zinc/78/51/00/353785100.db2.gz ZJUBOTVZUPJCJJ-NSHDSACASA-N 2 2 257.378 -0.148 20 0 CBADLP C[N@@H+]1CCN(C(=O)CC[C@H]2CCOC2)[C@@H](C[NH3+])C1 ZINC000401418994 353802415 /nfs/dbraw/zinc/80/24/15/353802415.db2.gz DMKRHDZCCHKNLT-RYUDHWBXSA-N 2 2 255.362 -0.096 20 0 CBADLP C[N@H+]1CCN(C(=O)CC[C@H]2CCOC2)[C@@H](C[NH3+])C1 ZINC000401418994 353802418 /nfs/dbraw/zinc/80/24/18/353802418.db2.gz DMKRHDZCCHKNLT-RYUDHWBXSA-N 2 2 255.362 -0.096 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(OCCO)CC1 ZINC000385919499 353787605 /nfs/dbraw/zinc/78/76/05/353787605.db2.gz JFUUNMPFPBZBQN-LBPRGKRZSA-N 2 2 260.378 -0.228 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(OCCO)CC1 ZINC000385919499 353787606 /nfs/dbraw/zinc/78/76/06/353787606.db2.gz JFUUNMPFPBZBQN-LBPRGKRZSA-N 2 2 260.378 -0.228 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCSC[C@@H]1CO ZINC000388078605 353789066 /nfs/dbraw/zinc/78/90/66/353789066.db2.gz RPKSHDJMKYXXMI-RYUDHWBXSA-N 2 2 278.418 -0.665 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCSC[C@@H]1CO ZINC000388078605 353789067 /nfs/dbraw/zinc/78/90/67/353789067.db2.gz RPKSHDJMKYXXMI-RYUDHWBXSA-N 2 2 278.418 -0.665 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCSC[C@@H]1CO ZINC000388078605 353789069 /nfs/dbraw/zinc/78/90/69/353789069.db2.gz RPKSHDJMKYXXMI-RYUDHWBXSA-N 2 2 278.418 -0.665 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCSC[C@@H]1CO ZINC000388078605 353789071 /nfs/dbraw/zinc/78/90/71/353789071.db2.gz RPKSHDJMKYXXMI-RYUDHWBXSA-N 2 2 278.418 -0.665 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCSC[C@@H]1CO ZINC000388078604 353789115 /nfs/dbraw/zinc/78/91/15/353789115.db2.gz RPKSHDJMKYXXMI-NWDGAFQWSA-N 2 2 278.418 -0.665 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCSC[C@@H]1CO ZINC000388078604 353789117 /nfs/dbraw/zinc/78/91/17/353789117.db2.gz RPKSHDJMKYXXMI-NWDGAFQWSA-N 2 2 278.418 -0.665 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCSC[C@@H]1CO ZINC000388078604 353789118 /nfs/dbraw/zinc/78/91/18/353789118.db2.gz RPKSHDJMKYXXMI-NWDGAFQWSA-N 2 2 278.418 -0.665 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCSC[C@@H]1CO ZINC000388078604 353789120 /nfs/dbraw/zinc/78/91/20/353789120.db2.gz RPKSHDJMKYXXMI-NWDGAFQWSA-N 2 2 278.418 -0.665 20 0 CBADLP CS(=O)(=O)C1(C[NH2+]C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000393704165 353793595 /nfs/dbraw/zinc/79/35/95/353793595.db2.gz GWSCGHBFPPCZFX-NSHDSACASA-N 2 2 276.402 -0.390 20 0 CBADLP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N2CC[NH+](C)CC2)CC1 ZINC000410442523 353928553 /nfs/dbraw/zinc/92/85/53/353928553.db2.gz LEKVIBVPJWTQIZ-UHFFFAOYSA-N 2 2 296.415 -0.297 20 0 CBADLP CC(C)[N@H+]1CCCN(C(=O)C(=O)N2CC[NH+](C)CC2)CC1 ZINC000410442523 353928555 /nfs/dbraw/zinc/92/85/55/353928555.db2.gz LEKVIBVPJWTQIZ-UHFFFAOYSA-N 2 2 296.415 -0.297 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N(CC[NH+](C)C)C(C)C)CC1 ZINC000410892828 353938024 /nfs/dbraw/zinc/93/80/24/353938024.db2.gz PLOMZBIDVBWLKY-UHFFFAOYSA-N 2 2 298.431 -0.051 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2C[C@@H](O)C[C@H]2COC)CC1 ZINC000411923346 353942960 /nfs/dbraw/zinc/94/29/60/353942960.db2.gz NZXLLZNWNNIAGB-RDBSUJKOSA-N 2 2 299.415 -0.379 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2C[C@@H](O)C[C@H]2COC)CC1 ZINC000411923346 353942961 /nfs/dbraw/zinc/94/29/61/353942961.db2.gz NZXLLZNWNNIAGB-RDBSUJKOSA-N 2 2 299.415 -0.379 20 0 CBADLP C[C@H]1[C@@H](CO)CCC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000412079021 353943805 /nfs/dbraw/zinc/94/38/05/353943805.db2.gz KUPCRROVGKXTKP-QWHCGFSZSA-N 2 2 269.389 -0.147 20 0 CBADLP C[C@H]1[C@@H](CO)CCC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000412079021 353943808 /nfs/dbraw/zinc/94/38/08/353943808.db2.gz KUPCRROVGKXTKP-QWHCGFSZSA-N 2 2 269.389 -0.147 20 0 CBADLP [NH3+]CC1(NC(=O)NCC[NH+]2CCOCC2)CCCC1 ZINC000416432621 353968960 /nfs/dbraw/zinc/96/89/60/353968960.db2.gz LIZLMXHCGHMBSS-UHFFFAOYSA-N 2 2 270.377 -0.111 20 0 CBADLP C[NH2+][C@H]1CCCN(C(=O)NCC[NH+]2CCOCC2)C1 ZINC000416431027 353969234 /nfs/dbraw/zinc/96/92/34/353969234.db2.gz GIACERCVOHFMAY-LBPRGKRZSA-N 2 2 270.377 -0.288 20 0 CBADLP O=C(NCCC[NH2+]C1CC1)NCC[NH+]1CCOCC1 ZINC000416448424 353969995 /nfs/dbraw/zinc/96/99/95/353969995.db2.gz UDWYRTOVGHPEIY-UHFFFAOYSA-N 2 2 270.377 -0.240 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@H]1CCC[NH2+]1 ZINC000417015351 353974940 /nfs/dbraw/zinc/97/49/40/353974940.db2.gz BOSUJGWRDFXEAS-NWDGAFQWSA-N 2 2 270.377 -0.242 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@H]([NH3+])C1CC1 ZINC000417031634 353975487 /nfs/dbraw/zinc/97/54/87/353975487.db2.gz PFHPBIUNYXQQDZ-JQWIXIFHSA-N 2 2 270.377 -0.256 20 0 CBADLP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000417514838 353978471 /nfs/dbraw/zinc/97/84/71/353978471.db2.gz JZUSVUMKEZSOIQ-WOPDTQHZSA-N 2 2 270.377 -0.162 20 0 CBADLP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000417514838 353978473 /nfs/dbraw/zinc/97/84/73/353978473.db2.gz JZUSVUMKEZSOIQ-WOPDTQHZSA-N 2 2 270.377 -0.162 20 0 CBADLP C[C@@H](NC(=O)NCC[N@@H+]1CCOC[C@H]1C)[C@H](C)[NH3+] ZINC000417499495 353978619 /nfs/dbraw/zinc/97/86/19/353978619.db2.gz DZVRVQZYTUMODH-OUAUKWLOSA-N 2 2 258.366 -0.258 20 0 CBADLP C[C@@H](NC(=O)NCC[N@H+]1CCOC[C@H]1C)[C@H](C)[NH3+] ZINC000417499495 353978623 /nfs/dbraw/zinc/97/86/23/353978623.db2.gz DZVRVQZYTUMODH-OUAUKWLOSA-N 2 2 258.366 -0.258 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000417500410 353978832 /nfs/dbraw/zinc/97/88/32/353978832.db2.gz GCRPFFRTZCCHMP-ZJUUUORDSA-N 2 2 294.346 -0.011 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000417500410 353978834 /nfs/dbraw/zinc/97/88/34/353978834.db2.gz GCRPFFRTZCCHMP-ZJUUUORDSA-N 2 2 294.346 -0.011 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000417531906 353979486 /nfs/dbraw/zinc/97/94/86/353979486.db2.gz VGMMHWQJFDCIBL-RYUDHWBXSA-N 2 2 270.377 -0.242 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000417531906 353979487 /nfs/dbraw/zinc/97/94/87/353979487.db2.gz VGMMHWQJFDCIBL-RYUDHWBXSA-N 2 2 270.377 -0.242 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@@H](C)C[NH3+] ZINC000418462741 353997833 /nfs/dbraw/zinc/99/78/33/353997833.db2.gz BSKXVBLBFZYOFH-NWDGAFQWSA-N 2 2 272.393 -0.057 20 0 CBADLP C[C@H](O)CNc1cc(N2CC[N@H+](CCO)C[C@H]2C)nc[nH+]1 ZINC000413309822 353953959 /nfs/dbraw/zinc/95/39/59/353953959.db2.gz BOENKRHZJUNZOR-NEPJUHHUSA-N 2 2 295.387 -0.228 20 0 CBADLP C[C@H](O)CNc1cc(N2CC[N@@H+](CCO)C[C@H]2C)nc[nH+]1 ZINC000413309822 353953961 /nfs/dbraw/zinc/95/39/61/353953961.db2.gz BOENKRHZJUNZOR-NEPJUHHUSA-N 2 2 295.387 -0.228 20 0 CBADLP c1cnc(N2CCN(CC[NH2+][C@@H]3CCC[NH2+]C3)CC2)nc1 ZINC000415091195 353963317 /nfs/dbraw/zinc/96/33/17/353963317.db2.gz PWIRIDBBGNDVHS-CQSZACIVSA-N 2 2 290.415 -0.060 20 0 CBADLP c1cnc(N2CC[NH+](CCN[C@@H]3CCC[NH2+]C3)CC2)nc1 ZINC000415091195 353963319 /nfs/dbraw/zinc/96/33/19/353963319.db2.gz PWIRIDBBGNDVHS-CQSZACIVSA-N 2 2 290.415 -0.060 20 0 CBADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)N[C@@H](C)C[NH3+])CC1 ZINC000418565441 354003305 /nfs/dbraw/zinc/00/33/05/354003305.db2.gz LESNWFFVUOFPBY-LBPRGKRZSA-N 2 2 299.419 -0.471 20 0 CBADLP CC[C@@H]1C[N@H+](CCNC(=O)N[C@@H](C)C[NH3+])CCO1 ZINC000418621584 354004312 /nfs/dbraw/zinc/00/43/12/354004312.db2.gz SURIRBKEACUHCG-WDEREUQCSA-N 2 2 258.366 -0.256 20 0 CBADLP CC[C@@H]1C[N@@H+](CCNC(=O)N[C@@H](C)C[NH3+])CCO1 ZINC000418621584 354004314 /nfs/dbraw/zinc/00/43/14/354004314.db2.gz SURIRBKEACUHCG-WDEREUQCSA-N 2 2 258.366 -0.256 20 0 CBADLP CC(C)([NH3+])CNC(=O)C(=O)NCCCNc1cccc[nH+]1 ZINC000419641389 354067475 /nfs/dbraw/zinc/06/74/75/354067475.db2.gz ICWVQZSEEFYWGI-UHFFFAOYSA-N 2 2 293.371 -0.147 20 0 CBADLP CC[N@H+](CCO)CCNCc1c[nH+]c(N(C)C)n1C ZINC000419680625 354069015 /nfs/dbraw/zinc/06/90/15/354069015.db2.gz HIYQKEUMORGAAA-UHFFFAOYSA-N 2 2 269.393 -0.110 20 0 CBADLP CC[N@@H+](CCO)CCNCc1c[nH+]c(N(C)C)n1C ZINC000419680625 354069017 /nfs/dbraw/zinc/06/90/17/354069017.db2.gz HIYQKEUMORGAAA-UHFFFAOYSA-N 2 2 269.393 -0.110 20 0 CBADLP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)NCCn1cc[nH+]c1 ZINC000419402293 354051043 /nfs/dbraw/zinc/05/10/43/354051043.db2.gz OPCLUEJRHWYMKX-CHWSQXEVSA-N 2 2 295.387 -0.020 20 0 CBADLP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)NCCn1cc[nH+]c1 ZINC000419402293 354051044 /nfs/dbraw/zinc/05/10/44/354051044.db2.gz OPCLUEJRHWYMKX-CHWSQXEVSA-N 2 2 295.387 -0.020 20 0 CBADLP C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NCCn1cc[nH+]c1 ZINC000419402300 354051233 /nfs/dbraw/zinc/05/12/33/354051233.db2.gz OPCLUEJRHWYMKX-STQMWFEESA-N 2 2 295.387 -0.020 20 0 CBADLP C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)NCCn1cc[nH+]c1 ZINC000419402300 354051237 /nfs/dbraw/zinc/05/12/37/354051237.db2.gz OPCLUEJRHWYMKX-STQMWFEESA-N 2 2 295.387 -0.020 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000419886950 354089985 /nfs/dbraw/zinc/08/99/85/354089985.db2.gz KVPATIGMMHHUSJ-OLZOCXBDSA-N 2 2 296.415 -0.345 20 0 CBADLP CCC[NH2+]CCNC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000419910878 354093035 /nfs/dbraw/zinc/09/30/35/354093035.db2.gz RFOXXQITRGXFED-UHFFFAOYSA-N 2 2 282.388 -0.591 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N[C@@H](C)CC[NH3+])CC1 ZINC000419993465 354101293 /nfs/dbraw/zinc/10/12/93/354101293.db2.gz KKZLCEIWFNSUEH-JTQLQIEISA-N 2 2 256.350 -0.996 20 0 CBADLP C[C@@H]([NH3+])CCNc1cc(N2CCN(C)C(=O)C2)nc[nH+]1 ZINC000420161174 354115134 /nfs/dbraw/zinc/11/51/34/354115134.db2.gz VXIBGURCTNMHQM-SNVBAGLBSA-N 2 2 278.360 -0.096 20 0 CBADLP C[C@@H]([NH3+])CCNc1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000420161174 354115135 /nfs/dbraw/zinc/11/51/35/354115135.db2.gz VXIBGURCTNMHQM-SNVBAGLBSA-N 2 2 278.360 -0.096 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@H]([NH3+])C2)CC1 ZINC000420279975 354120862 /nfs/dbraw/zinc/12/08/62/354120862.db2.gz XZRXYNYUUSJTSM-LBPRGKRZSA-N 3 2 254.378 -0.426 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@H]([NH3+])C2)CC1 ZINC000420279975 354120864 /nfs/dbraw/zinc/12/08/64/354120864.db2.gz XZRXYNYUUSJTSM-LBPRGKRZSA-N 3 2 254.378 -0.426 20 0 CBADLP C[NH2+]C[C@H]1CCC[N@@H+]1CCC(=O)N(C)CC(=O)OC ZINC000420295065 354121985 /nfs/dbraw/zinc/12/19/85/354121985.db2.gz UQLJLPVNRRTQRF-LLVKDONJSA-N 2 2 271.361 -0.308 20 0 CBADLP C[NH2+]C[C@H]1CCC[N@H+]1CCC(=O)N(C)CC(=O)OC ZINC000420295065 354121986 /nfs/dbraw/zinc/12/19/86/354121986.db2.gz UQLJLPVNRRTQRF-LLVKDONJSA-N 2 2 271.361 -0.308 20 0 CBADLP CCN(CC)C(=O)N1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000420328514 354123068 /nfs/dbraw/zinc/12/30/68/354123068.db2.gz ZQEGOTFIDMYRPY-UHFFFAOYSA-N 2 2 297.447 -0.029 20 0 CBADLP CCOC(=O)[C@H](C)[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000420307093 354123097 /nfs/dbraw/zinc/12/30/97/354123097.db2.gz LSXHVCYIGCJZHW-RYUDHWBXSA-N 2 2 283.372 -0.166 20 0 CBADLP CCOC(=O)[C@H](C)[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000420307093 354123098 /nfs/dbraw/zinc/12/30/98/354123098.db2.gz LSXHVCYIGCJZHW-RYUDHWBXSA-N 2 2 283.372 -0.166 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000420343334 354124265 /nfs/dbraw/zinc/12/42/65/354124265.db2.gz QPUFWDCOIPXPOU-UONOGXRCSA-N 3 2 280.416 -0.166 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000420343334 354124269 /nfs/dbraw/zinc/12/42/69/354124269.db2.gz QPUFWDCOIPXPOU-UONOGXRCSA-N 3 2 280.416 -0.166 20 0 CBADLP Cc1ccccc1CCNC(=O)C[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420354531 354125274 /nfs/dbraw/zinc/12/52/74/354125274.db2.gz OPIPQYVBNGZBIX-AWEZNQCLSA-N 2 2 279.384 -0.095 20 0 CBADLP Cc1ccccc1CCNC(=O)C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420354531 354125278 /nfs/dbraw/zinc/12/52/78/354125278.db2.gz OPIPQYVBNGZBIX-AWEZNQCLSA-N 2 2 279.384 -0.095 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000420367139 354125309 /nfs/dbraw/zinc/12/53/09/354125309.db2.gz MPDCBPICJXPKFM-LALPHHSUSA-N 2 2 298.431 -0.053 20 0 CBADLP C[N@@H+](CC(=O)NCCOc1ccc(F)cc1)C[C@H](O)C[NH3+] ZINC000420356122 354125405 /nfs/dbraw/zinc/12/54/05/354125405.db2.gz QKILZPGQPZSPIQ-GFCCVEGCSA-N 2 2 299.346 -0.428 20 0 CBADLP C[N@H+](CC(=O)NCCOc1ccc(F)cc1)C[C@H](O)C[NH3+] ZINC000420356122 354125407 /nfs/dbraw/zinc/12/54/07/354125407.db2.gz QKILZPGQPZSPIQ-GFCCVEGCSA-N 2 2 299.346 -0.428 20 0 CBADLP C[N@@H+](CC(=O)NCC1CCCCC1)C[C@@H](O)C[NH3+] ZINC000420351466 354125481 /nfs/dbraw/zinc/12/54/81/354125481.db2.gz KDXNNILPDVGTLD-LBPRGKRZSA-N 2 2 257.378 -0.066 20 0 CBADLP C[N@H+](CC(=O)NCC1CCCCC1)C[C@@H](O)C[NH3+] ZINC000420351466 354125483 /nfs/dbraw/zinc/12/54/83/354125483.db2.gz KDXNNILPDVGTLD-LBPRGKRZSA-N 2 2 257.378 -0.066 20 0 CBADLP COCCCS(=O)(=O)NCC[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000420370475 354126320 /nfs/dbraw/zinc/12/63/20/354126320.db2.gz VXMIUFBTTCHIHP-LLVKDONJSA-N 2 2 295.449 -0.095 20 0 CBADLP CCS(=O)(=O)NCC[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000420373583 354127159 /nfs/dbraw/zinc/12/71/59/354127159.db2.gz RJRCMSRABHYEDD-GMTAPVOTSA-N 2 2 263.407 -0.098 20 0 CBADLP COCC[N@@H+]1CCN(C(=O)[C@]23C[C@H]2CC[NH2+]3)C[C@@H]1C ZINC000423387543 354173555 /nfs/dbraw/zinc/17/35/55/354173555.db2.gz MCTWAGNJTXKYLS-SCRDCRAPSA-N 2 2 267.373 -0.083 20 0 CBADLP COCC[N@H+]1CCN(C(=O)[C@]23C[C@H]2CC[NH2+]3)C[C@@H]1C ZINC000423387543 354173559 /nfs/dbraw/zinc/17/35/59/354173559.db2.gz MCTWAGNJTXKYLS-SCRDCRAPSA-N 2 2 267.373 -0.083 20 0 CBADLP C[C@H]1CC[NH2+][C@@H](C(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)C1 ZINC000423427531 354175895 /nfs/dbraw/zinc/17/58/95/354175895.db2.gz FVTXPNBGQKEAMG-NWDGAFQWSA-N 2 2 296.415 -0.217 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@@H+]2C[C@H](CO)OC(C)(C)C2)CC1 ZINC000420933021 354137737 /nfs/dbraw/zinc/13/77/37/354137737.db2.gz HLFJNTAPUIYZIL-CYBMUJFWSA-N 2 2 299.415 -0.378 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@H+]2C[C@H](CO)OC(C)(C)C2)CC1 ZINC000420933021 354137739 /nfs/dbraw/zinc/13/77/39/354137739.db2.gz HLFJNTAPUIYZIL-CYBMUJFWSA-N 2 2 299.415 -0.378 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@H](C(=O)NC)C2)CC1 ZINC000420971821 354138994 /nfs/dbraw/zinc/13/89/94/354138994.db2.gz IPICHGIBZZKGAG-OLZOCXBDSA-N 2 2 296.415 -0.393 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@H](C(=O)NC)C2)CC1 ZINC000420971821 354138997 /nfs/dbraw/zinc/13/89/97/354138997.db2.gz IPICHGIBZZKGAG-OLZOCXBDSA-N 2 2 296.415 -0.393 20 0 CBADLP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000422101157 354143845 /nfs/dbraw/zinc/14/38/45/354143845.db2.gz FCBGVTJEGHQGLM-LBPRGKRZSA-N 2 2 282.388 -0.687 20 0 CBADLP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000422101157 354143846 /nfs/dbraw/zinc/14/38/46/354143846.db2.gz FCBGVTJEGHQGLM-LBPRGKRZSA-N 2 2 282.388 -0.687 20 0 CBADLP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000422755606 354153214 /nfs/dbraw/zinc/15/32/14/354153214.db2.gz FWPBAWJNEGMIFE-MELADBBJSA-N 2 2 299.415 -0.162 20 0 CBADLP Cc1cc(CNC(=O)C(=O)N2CC[NH2+]CC2)cc(C)[nH+]1 ZINC000422969722 354158332 /nfs/dbraw/zinc/15/83/32/354158332.db2.gz DITJEPFDPHGRMY-UHFFFAOYSA-N 2 2 276.340 -0.254 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000422981255 354159392 /nfs/dbraw/zinc/15/93/92/354159392.db2.gz SKCJMHRQLMVHPM-STQMWFEESA-N 2 2 296.415 -0.264 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)CC1 ZINC000422980875 354159403 /nfs/dbraw/zinc/15/94/03/354159403.db2.gz RKTSQHXFJOEULQ-OLZOCXBDSA-N 2 2 296.415 -0.406 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)CC1 ZINC000422978905 354159582 /nfs/dbraw/zinc/15/95/82/354159582.db2.gz KWIAEHGTRHOVEJ-VXGBXAGGSA-N 2 2 282.388 -0.641 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N(C)CCC[NH2+]C)CC1 ZINC000422979696 354159630 /nfs/dbraw/zinc/15/96/30/354159630.db2.gz NLGCBQFSAUSFKQ-UHFFFAOYSA-N 2 2 270.377 -0.782 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C)CC1 ZINC000422982057 354159698 /nfs/dbraw/zinc/15/96/98/354159698.db2.gz VIAUINRJZZLIJC-ZDUSSCGKSA-N 2 2 298.431 -0.018 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000423558219 354179444 /nfs/dbraw/zinc/17/94/44/354179444.db2.gz LBAKXSMYEZRJNW-VXGBXAGGSA-N 2 2 284.404 -0.443 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000423558219 354179446 /nfs/dbraw/zinc/17/94/46/354179446.db2.gz LBAKXSMYEZRJNW-VXGBXAGGSA-N 2 2 284.404 -0.443 20 0 CBADLP O=C(C[C@H]1COCC[NH2+]1)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424186333 354217056 /nfs/dbraw/zinc/21/70/56/354217056.db2.gz GSNPXDQJVDAMGV-ZJUUUORDSA-N 2 2 277.315 -0.274 20 0 CBADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2C)C[C@H](C)[N@@H+]1C ZINC000423613932 354184700 /nfs/dbraw/zinc/18/47/00/354184700.db2.gz WIHBXPDXEJZCGI-SDDRHHMPSA-N 2 2 282.388 -0.642 20 0 CBADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2C)C[C@H](C)[N@H+]1C ZINC000423613932 354184704 /nfs/dbraw/zinc/18/47/04/354184704.db2.gz WIHBXPDXEJZCGI-SDDRHHMPSA-N 2 2 282.388 -0.642 20 0 CBADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)[C@@H]1C[NH2+]CCO1 ZINC000424182602 354217185 /nfs/dbraw/zinc/21/71/85/354217185.db2.gz ZSWAHSKAGRPCJT-IUCAKERBSA-N 2 2 263.288 -0.664 20 0 CBADLP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000423665659 354190422 /nfs/dbraw/zinc/19/04/22/354190422.db2.gz KETBVOHETSPNEG-RQJABVFESA-N 2 2 279.384 -0.179 20 0 CBADLP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000423665659 354190424 /nfs/dbraw/zinc/19/04/24/354190424.db2.gz KETBVOHETSPNEG-RQJABVFESA-N 2 2 279.384 -0.179 20 0 CBADLP CC(C)[NH+]1CCN(C(=O)C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)CC1 ZINC000423686113 354191648 /nfs/dbraw/zinc/19/16/48/354191648.db2.gz UBSAMTGGYKBSSW-STQMWFEESA-N 2 2 296.415 -0.252 20 0 CBADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000423731323 354195134 /nfs/dbraw/zinc/19/51/34/354195134.db2.gz YWYMWURABJJEBG-KGLIPLIRSA-N 2 2 298.431 -0.493 20 0 CBADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000423731323 354195135 /nfs/dbraw/zinc/19/51/35/354195135.db2.gz YWYMWURABJJEBG-KGLIPLIRSA-N 2 2 298.431 -0.493 20 0 CBADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@H]2CC[NH2+]2)CC1 ZINC000423779254 354199263 /nfs/dbraw/zinc/19/92/63/354199263.db2.gz DVYMLAWLEOFHPV-WDEREUQCSA-N 2 2 269.345 -0.556 20 0 CBADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@H]2CC[NH2+]2)CC1 ZINC000423779253 354199616 /nfs/dbraw/zinc/19/96/16/354199616.db2.gz DVYMLAWLEOFHPV-GHMZBOCLSA-N 2 2 269.345 -0.556 20 0 CBADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)[C@H]2[NH2+]CCO[C@@H]2C)C[C@H](C)O1 ZINC000423768808 354199792 /nfs/dbraw/zinc/19/97/92/354199792.db2.gz YXIRLEUNLUCGFY-RQJABVFESA-N 2 2 299.415 -0.069 20 0 CBADLP C[C@@H]1C[N@H+](CCN(C)C(=O)[C@H]2[NH2+]CCO[C@@H]2C)C[C@H](C)O1 ZINC000423768808 354199795 /nfs/dbraw/zinc/19/97/95/354199795.db2.gz YXIRLEUNLUCGFY-RQJABVFESA-N 2 2 299.415 -0.069 20 0 CBADLP C[NH2+]CC(=O)N1CC[N@H+](CCC(=O)OC)[C@H](C)C1 ZINC000423877893 354202922 /nfs/dbraw/zinc/20/29/22/354202922.db2.gz DFXCZLHNPMWCMB-SNVBAGLBSA-N 2 2 257.334 -0.698 20 0 CBADLP C[NH2+]CC(=O)N1CC[N@@H+](CCC(=O)OC)[C@H](C)C1 ZINC000423877893 354202923 /nfs/dbraw/zinc/20/29/23/354202923.db2.gz DFXCZLHNPMWCMB-SNVBAGLBSA-N 2 2 257.334 -0.698 20 0 CBADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H]2COCC[NH2+]2)C[C@@H]1C ZINC000423899100 354204239 /nfs/dbraw/zinc/20/42/39/354204239.db2.gz QDPBAQUADHYVAV-RYUDHWBXSA-N 2 2 299.371 -0.929 20 0 CBADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H]2COCC[NH2+]2)C[C@@H]1C ZINC000423899100 354204242 /nfs/dbraw/zinc/20/42/42/354204242.db2.gz QDPBAQUADHYVAV-RYUDHWBXSA-N 2 2 299.371 -0.929 20 0 CBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C2([NH3+])CC2)C[C@H]1C ZINC000423904614 354205135 /nfs/dbraw/zinc/20/51/35/354205135.db2.gz XXDNLBWDMMZLEZ-SNVBAGLBSA-N 2 2 269.345 -0.427 20 0 CBADLP COC(=O)CC[N@H+]1CCN(C(=O)C2([NH3+])CC2)C[C@H]1C ZINC000423904614 354205138 /nfs/dbraw/zinc/20/51/38/354205138.db2.gz XXDNLBWDMMZLEZ-SNVBAGLBSA-N 2 2 269.345 -0.427 20 0 CBADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H]2CC[NH2+]2)C[C@H]1C ZINC000423905794 354205456 /nfs/dbraw/zinc/20/54/56/354205456.db2.gz ZIJMXJZCTBBERI-GHMZBOCLSA-N 2 2 269.345 -0.556 20 0 CBADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@H]2CC[NH2+]2)C[C@H]1C ZINC000423905794 354205457 /nfs/dbraw/zinc/20/54/57/354205457.db2.gz ZIJMXJZCTBBERI-GHMZBOCLSA-N 2 2 269.345 -0.556 20 0 CBADLP COCC[NH2+]CC(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424162261 354212004 /nfs/dbraw/zinc/21/20/04/354212004.db2.gz CKXINSRRRZJRFQ-SECBINFHSA-N 2 2 265.304 -0.417 20 0 CBADLP O=C(C[C@@H]1C[NH2+]CCO1)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424181520 354215630 /nfs/dbraw/zinc/21/56/30/354215630.db2.gz XWSVKTVEJWJQRX-VHSXEESVSA-N 2 2 277.315 -0.274 20 0 CBADLP CN(CCCN1CC[NH+](C)CC1)C(=O)[C@H]1C[NH2+]CCO1 ZINC000424174249 354215856 /nfs/dbraw/zinc/21/58/56/354215856.db2.gz LXVJIOOIPNDGAP-CYBMUJFWSA-N 2 2 284.404 -0.929 20 0 CBADLP CN(CCC[NH+]1CCN(C)CC1)C(=O)[C@H]1C[NH2+]CCO1 ZINC000424174249 354215868 /nfs/dbraw/zinc/21/58/68/354215868.db2.gz LXVJIOOIPNDGAP-CYBMUJFWSA-N 2 2 284.404 -0.929 20 0 CBADLP O=C(C[C@H]1COCC[NH2+]1)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424186325 354216569 /nfs/dbraw/zinc/21/65/69/354216569.db2.gz GSNPXDQJVDAMGV-UWVGGRQHSA-N 2 2 277.315 -0.274 20 0 CBADLP C[NH2+]C[C@H](C)C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000430802347 354250571 /nfs/dbraw/zinc/25/05/71/354250571.db2.gz LPJKHLXBSGXGAB-JTQLQIEISA-N 2 2 270.377 -0.750 20 0 CBADLP COCC[C@@]1(C(=O)NCC[N@@H+]2CCOC[C@H]2C)CC[NH2+]C1 ZINC000430880991 354250728 /nfs/dbraw/zinc/25/07/28/354250728.db2.gz XDKNFLPUQWMJLE-HIFRSBDPSA-N 2 2 299.415 -0.161 20 0 CBADLP COCC[C@@]1(C(=O)NCC[N@H+]2CCOC[C@H]2C)CC[NH2+]C1 ZINC000430880991 354250730 /nfs/dbraw/zinc/25/07/30/354250730.db2.gz XDKNFLPUQWMJLE-HIFRSBDPSA-N 2 2 299.415 -0.161 20 0 CBADLP C[C@@H](CNC(=O)CN1CC[NH2+]CC1=O)[N@@H+]1CCCC[C@@H]1C ZINC000430766233 354250882 /nfs/dbraw/zinc/25/08/82/354250882.db2.gz WNVXYKFZGROOCX-STQMWFEESA-N 2 2 296.415 -0.203 20 0 CBADLP C[C@@H](CNC(=O)CN1CC[NH2+]CC1=O)[N@H+]1CCCC[C@@H]1C ZINC000430766233 354250885 /nfs/dbraw/zinc/25/08/85/354250885.db2.gz WNVXYKFZGROOCX-STQMWFEESA-N 2 2 296.415 -0.203 20 0 CBADLP C[C@H]1CN(C(=O)[C@H]2CSC[NH2+]2)C[C@H]1[NH+]1CCOCC1 ZINC000431017768 354251432 /nfs/dbraw/zinc/25/14/32/354251432.db2.gz RXMAFQJRQJIFFX-QJPTWQEYSA-N 2 2 285.413 -0.172 20 0 CBADLP O=C(C[C@@H]1C[NH2+]CCO1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000431033286 354251856 /nfs/dbraw/zinc/25/18/56/354251856.db2.gz HRTJPXDLWJUAHG-ZIAGYGMSSA-N 2 2 297.399 -0.312 20 0 CBADLP C[NH2+]CCC[N@@H+]1CCCC[C@H]1CNS(C)(=O)=O ZINC000435873822 354254712 /nfs/dbraw/zinc/25/47/12/354254712.db2.gz XYBPOUDNQOMQFJ-NSHDSACASA-N 2 2 263.407 0.000 20 0 CBADLP C[NH2+]CCC[N@H+]1CCCC[C@H]1CNS(C)(=O)=O ZINC000435873822 354254716 /nfs/dbraw/zinc/25/47/16/354254716.db2.gz XYBPOUDNQOMQFJ-NSHDSACASA-N 2 2 263.407 0.000 20 0 CBADLP Cn1ncnc1C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000436059197 354256132 /nfs/dbraw/zinc/25/61/32/354256132.db2.gz KHJIYLPGCXYQND-LLVKDONJSA-N 2 2 280.376 -0.365 20 0 CBADLP Cn1ncnc1C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000436059197 354256133 /nfs/dbraw/zinc/25/61/33/354256133.db2.gz KHJIYLPGCXYQND-LLVKDONJSA-N 2 2 280.376 -0.365 20 0 CBADLP C[C@H]1CN(C(=O)[C@H]2CC[NH2+]2)C[C@@H]1[NH+]1CCOCC1 ZINC000444264125 354266588 /nfs/dbraw/zinc/26/65/88/354266588.db2.gz IRFSBCUNHPDWTD-TUAOUCFPSA-N 2 2 253.346 -0.473 20 0 CBADLP C[NH+]1CCN(C(=O)CCNC(=O)c2coc(C[NH3+])c2)CC1 ZINC000444174617 354262925 /nfs/dbraw/zinc/26/29/25/354262925.db2.gz GNYZJQLGELCIML-UHFFFAOYSA-N 2 2 294.355 -0.368 20 0 CBADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)[C@H]2CC[NH2+]2)CC1 ZINC000444174306 354263045 /nfs/dbraw/zinc/26/30/45/354263045.db2.gz GVCIOVSSHAYBBJ-CMPLNLGQSA-N 2 2 280.372 -0.840 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@H]2C[C@@]23CC[NH2+]C3)CC1 ZINC000444193930 354264046 /nfs/dbraw/zinc/26/40/46/354264046.db2.gz RYCXIMJPPYVFDR-UKRRQHHQSA-N 2 2 294.399 -0.734 20 0 CBADLP COC[C@@H]([NH3+])C(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC000424217002 354219284 /nfs/dbraw/zinc/21/92/84/354219284.db2.gz JWWRMVBSISXZCQ-LLVKDONJSA-N 2 2 273.377 -0.471 20 0 CBADLP Cn1cc([C@@H]2CN(C(=O)[C@H]3CC(F)(F)C[NH2+]3)C[C@H]2[NH3+])cn1 ZINC000424228084 354219947 /nfs/dbraw/zinc/21/99/47/354219947.db2.gz RXWMVUONFMWNCI-HBNTYKKESA-N 2 2 299.325 -0.330 20 0 CBADLP C[C@H](NC(=O)C[NH2+][C@@H]1CCCC[C@H]1[NH3+])C(=O)N(C)C ZINC000424341237 354222902 /nfs/dbraw/zinc/22/29/02/354222902.db2.gz ZNOWNJCCXHWNSJ-HBNTYKKESA-N 2 2 270.377 -0.561 20 0 CBADLP Cc1ccc(NC(=O)C(=O)NC[C@H](O)C[NH+](C)C)c(C)[nH+]1 ZINC000447247804 354294392 /nfs/dbraw/zinc/29/43/92/354294392.db2.gz SBKKEBCYJKJEOE-NSHDSACASA-N 2 2 294.355 -0.324 20 0 CBADLP C[C@@H]1C[C@@H](O)C[NH+]1C[C@H](O)C[N@H+]1C[C@@H](O)C[C@H]1C ZINC000447260362 354294927 /nfs/dbraw/zinc/29/49/27/354294927.db2.gz YVDJOVIDQNIPTD-KVSVUVNWSA-N 2 2 258.362 -0.743 20 0 CBADLP C[C@@H]1C[C@@H](O)C[NH+]1C[C@H](O)C[N@@H+]1C[C@@H](O)C[C@H]1C ZINC000447260362 354294931 /nfs/dbraw/zinc/29/49/31/354294931.db2.gz YVDJOVIDQNIPTD-KVSVUVNWSA-N 2 2 258.362 -0.743 20 0 CBADLP C[C@@H]1C[C@H](O)C[NH+]1C[C@@H](O)C[N@@H+]1C[C@H](O)C[C@H]1C ZINC000447260362 354294932 /nfs/dbraw/zinc/29/49/32/354294932.db2.gz YVDJOVIDQNIPTD-KVSVUVNWSA-N 2 2 258.362 -0.743 20 0 CBADLP C[C@@H]1C[C@H](O)C[NH+]1C[C@@H](O)C[N@H+]1C[C@H](O)C[C@H]1C ZINC000447260362 354294937 /nfs/dbraw/zinc/29/49/37/354294937.db2.gz YVDJOVIDQNIPTD-KVSVUVNWSA-N 2 2 258.362 -0.743 20 0 CBADLP C[C@@H]1C[C@H](O)C[NH+]1C[C@@H](O)C[N@H+]1C[C@@H](O)C[C@@H]1C ZINC000447260364 354295114 /nfs/dbraw/zinc/29/51/14/354295114.db2.gz YVDJOVIDQNIPTD-PPCPHDFISA-N 2 2 258.362 -0.743 20 0 CBADLP C[C@@H]1C[C@H](O)C[NH+]1C[C@@H](O)C[N@@H+]1C[C@@H](O)C[C@@H]1C ZINC000447260364 354295116 /nfs/dbraw/zinc/29/51/16/354295116.db2.gz YVDJOVIDQNIPTD-PPCPHDFISA-N 2 2 258.362 -0.743 20 0 CBADLP C[C@@H]1C[C@H](O)C[N@H+]1C[C@@H](O)C[NH+]1C[C@@H](O)C[C@@H]1C ZINC000447260364 354295118 /nfs/dbraw/zinc/29/51/18/354295118.db2.gz YVDJOVIDQNIPTD-PPCPHDFISA-N 2 2 258.362 -0.743 20 0 CBADLP C[C@@H]1C[C@H](O)C[N@@H+]1C[C@@H](O)C[NH+]1C[C@@H](O)C[C@@H]1C ZINC000447260364 354295121 /nfs/dbraw/zinc/29/51/21/354295121.db2.gz YVDJOVIDQNIPTD-PPCPHDFISA-N 2 2 258.362 -0.743 20 0 CBADLP C[C@H](CNC(=O)[C@H]1C[C@]12CC[NH2+]C2)[NH+]1CCN(C)CC1 ZINC000444270367 354267274 /nfs/dbraw/zinc/26/72/74/354267274.db2.gz OZUMXCAYWCAFFB-NFAWXSAZSA-N 2 2 280.416 -0.262 20 0 CBADLP C[C@H]1CCCCN1C(=O)C[NH+]1CCN(CC[NH3+])CC1 ZINC000262694691 137723941 /nfs/dbraw/zinc/72/39/41/137723941.db2.gz BAFGMXABUINLDO-ZDUSSCGKSA-N 2 2 268.405 -0.036 20 0 CBADLP C[C@@H](CNC(=O)NC[C@H]1C[N@H+](C)CCO1)[NH+](C)C ZINC000454443348 354356121 /nfs/dbraw/zinc/35/61/21/354356121.db2.gz RAWYOXYRRDWYDG-QWRGUYRKSA-N 2 2 258.366 -0.434 20 0 CBADLP C[C@@H](CNC(=O)NC[C@H]1C[N@@H+](C)CCO1)[NH+](C)C ZINC000454443348 354356125 /nfs/dbraw/zinc/35/61/25/354356125.db2.gz RAWYOXYRRDWYDG-QWRGUYRKSA-N 2 2 258.366 -0.434 20 0 CBADLP CN(CC[NH+]1CCOCC1)CC[N@@H+]1CCCOCC1 ZINC000448524856 354314680 /nfs/dbraw/zinc/31/46/80/354314680.db2.gz LSRRDEMVOCZTCL-UHFFFAOYSA-N 2 2 271.405 -0.027 20 0 CBADLP CN(CC[NH+]1CCOCC1)CC[N@H+]1CCCOCC1 ZINC000448524856 354314684 /nfs/dbraw/zinc/31/46/84/354314684.db2.gz LSRRDEMVOCZTCL-UHFFFAOYSA-N 2 2 271.405 -0.027 20 0 CBADLP Cc1nn(C)cc1C[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000450255357 354323491 /nfs/dbraw/zinc/32/34/91/354323491.db2.gz YRELRLCNJOSIEI-UHFFFAOYSA-N 2 2 279.388 -0.066 20 0 CBADLP CN(C[C@H]1CC[N@H+](C)C1)C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000458323566 354375977 /nfs/dbraw/zinc/37/59/77/354375977.db2.gz XLPVQUZFAALRRU-QWHCGFSZSA-N 2 2 284.404 -0.090 20 0 CBADLP CN(C[C@H]1CC[N@@H+](C)C1)C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000458323566 354375978 /nfs/dbraw/zinc/37/59/78/354375978.db2.gz XLPVQUZFAALRRU-QWHCGFSZSA-N 2 2 284.404 -0.090 20 0 CBADLP CN(C[C@H]1CC[NH+](C)C1)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000458323566 354375979 /nfs/dbraw/zinc/37/59/79/354375979.db2.gz XLPVQUZFAALRRU-QWHCGFSZSA-N 2 2 284.404 -0.090 20 0 CBADLP CN(C[C@H]1CC[NH+](C)C1)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000458323566 354375980 /nfs/dbraw/zinc/37/59/80/354375980.db2.gz XLPVQUZFAALRRU-QWHCGFSZSA-N 2 2 284.404 -0.090 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N(C)CC[NH+]2CCCC2)CC1 ZINC000459803483 354387544 /nfs/dbraw/zinc/38/75/44/354387544.db2.gz BYJAYCABUBSGRQ-UHFFFAOYSA-N 2 2 296.415 -0.295 20 0 CBADLP CN(CC[NH+](C)C)C(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000459892133 354392181 /nfs/dbraw/zinc/39/21/81/354392181.db2.gz CPYZREPXLSELRC-UHFFFAOYSA-N 2 2 282.388 -0.687 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)NCCC[NH+]2CCC[C@@H]2C(N)=O)C1 ZINC000330947832 283020160 /nfs/dbraw/zinc/02/01/60/283020160.db2.gz HWIPPFQZSLSHLW-NEPJUHHUSA-N 2 2 298.387 -0.177 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)NCCC[NH+]2CCC[C@@H]2C(N)=O)C1 ZINC000330947832 283020163 /nfs/dbraw/zinc/02/01/63/283020163.db2.gz HWIPPFQZSLSHLW-NEPJUHHUSA-N 2 2 298.387 -0.177 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)C1 ZINC000330947832 283020166 /nfs/dbraw/zinc/02/01/66/283020166.db2.gz HWIPPFQZSLSHLW-NEPJUHHUSA-N 2 2 298.387 -0.177 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)C1 ZINC000330947832 283020171 /nfs/dbraw/zinc/02/01/71/283020171.db2.gz HWIPPFQZSLSHLW-NEPJUHHUSA-N 2 2 298.387 -0.177 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC000457094991 354368580 /nfs/dbraw/zinc/36/85/80/354368580.db2.gz HXASUCDTRDGTIS-UONOGXRCSA-N 2 2 299.415 -0.520 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC000457094991 354368583 /nfs/dbraw/zinc/36/85/83/354368583.db2.gz HXASUCDTRDGTIS-UONOGXRCSA-N 2 2 299.415 -0.520 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC000457094989 354368637 /nfs/dbraw/zinc/36/86/37/354368637.db2.gz HXASUCDTRDGTIS-KBPBESRZSA-N 2 2 299.415 -0.520 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC000457094989 354368638 /nfs/dbraw/zinc/36/86/38/354368638.db2.gz HXASUCDTRDGTIS-KBPBESRZSA-N 2 2 299.415 -0.520 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N1CC[NH+](CCO)C[C@@H]1C ZINC000457118838 354368653 /nfs/dbraw/zinc/36/86/53/354368653.db2.gz KLEMDWNCUQFHRA-LBPRGKRZSA-N 2 2 257.378 -0.148 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N1CC[NH+](CCO)C[C@@H]1C ZINC000457118838 354368655 /nfs/dbraw/zinc/36/86/55/354368655.db2.gz KLEMDWNCUQFHRA-LBPRGKRZSA-N 2 2 257.378 -0.148 20 0 CBADLP CC(C)[NH+](C)CC(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC000457118838 354368656 /nfs/dbraw/zinc/36/86/56/354368656.db2.gz KLEMDWNCUQFHRA-LBPRGKRZSA-N 2 2 257.378 -0.148 20 0 CBADLP CC(C)[NH+](C)CC(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC000457118838 354368657 /nfs/dbraw/zinc/36/86/57/354368657.db2.gz KLEMDWNCUQFHRA-LBPRGKRZSA-N 2 2 257.378 -0.148 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NC(C)(C)C[NH+](C)C ZINC000457203123 354369581 /nfs/dbraw/zinc/36/95/81/354369581.db2.gz HYKQEHGNKKZVAE-UHFFFAOYSA-N 2 2 286.420 -0.101 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NC(C)(C)C[NH+](C)C ZINC000457203123 354369583 /nfs/dbraw/zinc/36/95/83/354369583.db2.gz HYKQEHGNKKZVAE-UHFFFAOYSA-N 2 2 286.420 -0.101 20 0 CBADLP C[NH+](C)CC(C)(C)NC(=O)NCC[NH+]1CCOCC1 ZINC000457409985 354370714 /nfs/dbraw/zinc/37/07/14/354370714.db2.gz VQDNMSVRBZVWII-UHFFFAOYSA-N 2 2 272.393 -0.042 20 0 CBADLP Cc1nc(N2CC[N@H+](CCO)[C@@H](C)C2)nc(N(C)C)[nH+]1 ZINC000490075185 354438819 /nfs/dbraw/zinc/43/88/19/354438819.db2.gz WSMBPGRZEPERHL-JTQLQIEISA-N 2 2 280.376 -0.251 20 0 CBADLP Cc1nc(N2CC[N@@H+](CCO)[C@@H](C)C2)nc(N(C)C)[nH+]1 ZINC000490075185 354438822 /nfs/dbraw/zinc/43/88/22/354438822.db2.gz WSMBPGRZEPERHL-JTQLQIEISA-N 2 2 280.376 -0.251 20 0 CBADLP C[C@H]1C[C@@H](C(=O)NC[C@H]2C[N@H+](C)CCO2)CC[NH2+]1 ZINC000478924298 354406678 /nfs/dbraw/zinc/40/66/78/354406678.db2.gz GYYRSHZLOSBCMG-SRVKXCTJSA-N 2 2 255.362 -0.179 20 0 CBADLP C[C@H]1C[C@@H](C(=O)NC[C@H]2C[N@@H+](C)CCO2)CC[NH2+]1 ZINC000478924298 354406682 /nfs/dbraw/zinc/40/66/82/354406682.db2.gz GYYRSHZLOSBCMG-SRVKXCTJSA-N 2 2 255.362 -0.179 20 0 CBADLP C[C@H](O)C[NH+]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000492763011 354481268 /nfs/dbraw/zinc/48/12/68/354481268.db2.gz IOZGWFBBCLDTCV-QUCGXOGASA-N 2 2 264.329 -0.052 20 0 CBADLP C[NH+]1CCC(O)(CNC(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000492807786 354481916 /nfs/dbraw/zinc/48/19/16/354481916.db2.gz BSYZSRMXUQJQFH-IHWYPQMZSA-N 2 2 264.329 -0.004 20 0 CBADLP C[C@](O)(CNC(=O)C=Cc1c[nH]c[nH+]1)C[NH+]1CCOCC1 ZINC000492872201 354483880 /nfs/dbraw/zinc/48/38/80/354483880.db2.gz YITIIVDEDZIZTJ-SFAKSCPVSA-N 2 2 294.355 -0.378 20 0 CBADLP C[C@H](NC(=O)/C=C/c1[nH]cc[nH+]1)C(=O)NCC[NH+](C)C ZINC000493163081 354489680 /nfs/dbraw/zinc/48/96/80/354489680.db2.gz KJTKTNQWJOZALO-YEZKRMTDSA-N 2 2 279.344 -0.395 20 0 CBADLP C[C@H](C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)[NH+]1CCOCC1 ZINC000494899089 354496412 /nfs/dbraw/zinc/49/64/12/354496412.db2.gz XYTUQKIEVFLOMP-AGIUHOORSA-N 2 2 267.373 -0.083 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH+]2CCC3(COC(=O)N3)CC2)CC1 ZINC000495031393 354497197 /nfs/dbraw/zinc/49/71/97/354497197.db2.gz MYPAOHKAUZQGDD-UHFFFAOYSA-N 2 2 296.371 -0.665 20 0 CBADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000515306187 354556154 /nfs/dbraw/zinc/55/61/54/354556154.db2.gz YILSCWSTXIKTJD-IUCAKERBSA-N 2 2 256.268 -0.044 20 0 CBADLP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000515306187 354556156 /nfs/dbraw/zinc/55/61/56/354556156.db2.gz YILSCWSTXIKTJD-IUCAKERBSA-N 2 2 256.268 -0.044 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)CC2(C[NH3+])CC2)CC1 ZINC000519547701 354562988 /nfs/dbraw/zinc/56/29/88/354562988.db2.gz WAVJHADOWNYETQ-UHFFFAOYSA-N 2 2 282.388 -0.604 20 0 CBADLP COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)C2([NH3+])CCC2)C1 ZINC000519644105 354565472 /nfs/dbraw/zinc/56/54/72/354565472.db2.gz LEIDKJLMGAXDJF-NSHDSACASA-N 2 2 283.372 -0.131 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]2C[NH+]3CCN2CCC3)CCO1 ZINC000535720758 354602836 /nfs/dbraw/zinc/60/28/36/354602836.db2.gz IJRNTTRNSKLOGM-ZIAGYGMSSA-N 2 2 296.415 -0.787 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2C[NH+]3CCN2CCC3)CCO1 ZINC000535720758 354602840 /nfs/dbraw/zinc/60/28/40/354602840.db2.gz IJRNTTRNSKLOGM-ZIAGYGMSSA-N 2 2 296.415 -0.787 20 0 CBADLP C[C@@H]1C[NH+](CCNC(=O)[C@H]2C[N@@H+]3CCN2CCC3)CCO1 ZINC000535720758 354602841 /nfs/dbraw/zinc/60/28/41/354602841.db2.gz IJRNTTRNSKLOGM-ZIAGYGMSSA-N 2 2 296.415 -0.787 20 0 CBADLP C[C@@H]1C[NH+](CCNC(=O)[C@H]2C[N@H+]3CCN2CCC3)CCO1 ZINC000535720758 354602845 /nfs/dbraw/zinc/60/28/45/354602845.db2.gz IJRNTTRNSKLOGM-ZIAGYGMSSA-N 2 2 296.415 -0.787 20 0 CBADLP CN1CC[N@H+](C)[C@@H](CNC(=O)N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000529308980 354583860 /nfs/dbraw/zinc/58/38/60/354583860.db2.gz XIIWPVRNHUKBCT-QWHCGFSZSA-N 2 2 295.431 -0.184 20 0 CBADLP CN1CC[N@@H+](C)[C@@H](CNC(=O)N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000529308980 354583863 /nfs/dbraw/zinc/58/38/63/354583863.db2.gz XIIWPVRNHUKBCT-QWHCGFSZSA-N 2 2 295.431 -0.184 20 0 CBADLP COC(=O)CNC(=O)[C@@H](C)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000533429651 354592323 /nfs/dbraw/zinc/59/23/23/354592323.db2.gz DZEOLMLKGWTWBY-NEPJUHHUSA-N 2 2 285.388 -0.062 20 0 CBADLP COC(=O)CNC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000533429651 354592327 /nfs/dbraw/zinc/59/23/27/354592327.db2.gz DZEOLMLKGWTWBY-NEPJUHHUSA-N 2 2 285.388 -0.062 20 0 CBADLP COC(=O)CNC(=O)[C@@H](C)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000533429651 354592330 /nfs/dbraw/zinc/59/23/30/354592330.db2.gz DZEOLMLKGWTWBY-NEPJUHHUSA-N 2 2 285.388 -0.062 20 0 CBADLP COC(=O)CNC(=O)[C@@H](C)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000533429651 354592333 /nfs/dbraw/zinc/59/23/33/354592333.db2.gz DZEOLMLKGWTWBY-NEPJUHHUSA-N 2 2 285.388 -0.062 20 0 CBADLP COC(=O)CNC(=O)CC[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000535822967 354604264 /nfs/dbraw/zinc/60/42/64/354604264.db2.gz PYGHHCZWILFMSN-NSHDSACASA-N 2 2 294.355 -0.111 20 0 CBADLP COC(=O)CNC(=O)CC[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000535822967 354604266 /nfs/dbraw/zinc/60/42/66/354604266.db2.gz PYGHHCZWILFMSN-NSHDSACASA-N 2 2 294.355 -0.111 20 0 CBADLP C[NH+](CC1(C[N@@H+](C)C2CC(O)C2)COC1)C1CC(O)C1 ZINC000546093651 354651232 /nfs/dbraw/zinc/65/12/32/354651232.db2.gz SPOFZWOWOHAJKE-UHFFFAOYSA-N 2 2 284.400 -0.087 20 0 CBADLP C[NH+](CC1(C[N@H+](C)C2CC(O)C2)COC1)C1CC(O)C1 ZINC000546093651 354651236 /nfs/dbraw/zinc/65/12/36/354651236.db2.gz SPOFZWOWOHAJKE-UHFFFAOYSA-N 2 2 284.400 -0.087 20 0 CBADLP CNC(=O)NC(=O)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000536067144 354604981 /nfs/dbraw/zinc/60/49/81/354604981.db2.gz NCIKVFKGNWPFTI-VIFPVBQESA-N 2 2 265.317 -0.335 20 0 CBADLP CNC(=O)NC(=O)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000536067144 354604983 /nfs/dbraw/zinc/60/49/83/354604983.db2.gz NCIKVFKGNWPFTI-VIFPVBQESA-N 2 2 265.317 -0.335 20 0 CBADLP CC[N@@H+]1CCOC[C@H]1C(=O)NCCNc1cc[nH+]cc1 ZINC000538274664 354612911 /nfs/dbraw/zinc/61/29/11/354612911.db2.gz WVOXXTYLOFVBRH-ZDUSSCGKSA-N 2 2 278.356 -0.248 20 0 CBADLP CC[N@H+]1CCOC[C@H]1C(=O)NCCNc1cc[nH+]cc1 ZINC000538274664 354612914 /nfs/dbraw/zinc/61/29/14/354612914.db2.gz WVOXXTYLOFVBRH-ZDUSSCGKSA-N 2 2 278.356 -0.248 20 0 CBADLP CN1CCC[C@@H]([NH+]2CCN(C(=O)C[NH+](C)C)CC2)C1=O ZINC000538703178 354614540 /nfs/dbraw/zinc/61/45/40/354614540.db2.gz PNWWUQXFUXQBME-GFCCVEGCSA-N 2 2 282.388 -0.687 20 0 CBADLP CC[C@@H]1OCC[C@H]1NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000557207993 354685374 /nfs/dbraw/zinc/68/53/74/354685374.db2.gz LIUKLDHMFKBDRG-TUAOUCFPSA-N 2 2 270.377 -0.162 20 0 CBADLP CC[C@@H]1OCC[C@H]1NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000557207993 354685378 /nfs/dbraw/zinc/68/53/78/354685378.db2.gz LIUKLDHMFKBDRG-TUAOUCFPSA-N 2 2 270.377 -0.162 20 0 CBADLP CC(C)N1C[C@@H](NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])CC1=O ZINC000557167165 354685526 /nfs/dbraw/zinc/68/55/26/354685526.db2.gz JZUXRCIZXVNEEA-NWDGAFQWSA-N 2 2 297.403 -0.720 20 0 CBADLP CC(C)N1C[C@@H](NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])CC1=O ZINC000557167165 354685528 /nfs/dbraw/zinc/68/55/28/354685528.db2.gz JZUXRCIZXVNEEA-NWDGAFQWSA-N 2 2 297.403 -0.720 20 0 CBADLP C[N@@H+]1CCN(C(=O)N[C@H]2CCOC2(C)C)[C@@H](C[NH3+])C1 ZINC000557232056 354685833 /nfs/dbraw/zinc/68/58/33/354685833.db2.gz SOBOTGMPVJKGIK-QWRGUYRKSA-N 2 2 270.377 -0.162 20 0 CBADLP C[N@H+]1CCN(C(=O)N[C@H]2CCOC2(C)C)[C@@H](C[NH3+])C1 ZINC000557232056 354685835 /nfs/dbraw/zinc/68/58/35/354685835.db2.gz SOBOTGMPVJKGIK-QWRGUYRKSA-N 2 2 270.377 -0.162 20 0 CBADLP C[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000562693435 354687470 /nfs/dbraw/zinc/68/74/70/354687470.db2.gz ZQSSKOOJHFNTFO-CYBMUJFWSA-N 2 2 294.399 -0.543 20 0 CBADLP COC[C@]1(CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])CCC[NH2+]1 ZINC000562815796 354688355 /nfs/dbraw/zinc/68/83/55/354688355.db2.gz BFHSNTYVUDCHCD-GXTWGEPZSA-N 3 2 299.419 -0.961 20 0 CBADLP COC[C@]1(CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])CCC[NH2+]1 ZINC000562815796 354688356 /nfs/dbraw/zinc/68/83/56/354688356.db2.gz BFHSNTYVUDCHCD-GXTWGEPZSA-N 3 2 299.419 -0.961 20 0 CBADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]C[C@]2(C)CCC(=O)N2)C[C@@H](C)O1 ZINC000563000786 354691709 /nfs/dbraw/zinc/69/17/09/354691709.db2.gz NKTFVYNLYZZRAA-BHPKHCPMSA-N 2 2 299.415 -0.285 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)NC1CC([NH+]2CCCCC2)C1 ZINC000563097717 354696576 /nfs/dbraw/zinc/69/65/76/354696576.db2.gz BDERPKPALCXYTH-UHFFFAOYSA-N 2 2 294.399 -0.449 20 0 CBADLP C[N@@H+]1CCN(C(=O)CCOC[C@@H]2CCCO2)[C@H](C[NH3+])C1 ZINC000563102175 354696696 /nfs/dbraw/zinc/69/66/96/354696696.db2.gz ZWPPCKZJFXYDCA-OLZOCXBDSA-N 2 2 285.388 -0.327 20 0 CBADLP C[N@H+]1CCN(C(=O)CCOC[C@@H]2CCCO2)[C@H](C[NH3+])C1 ZINC000563102175 354696697 /nfs/dbraw/zinc/69/66/97/354696697.db2.gz ZWPPCKZJFXYDCA-OLZOCXBDSA-N 2 2 285.388 -0.327 20 0 CBADLP COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000563098599 354696810 /nfs/dbraw/zinc/69/68/10/354696810.db2.gz YLCJGLABVTZUKF-MXWKQRLJSA-N 2 2 269.345 -0.665 20 0 CBADLP COC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000563098599 354696812 /nfs/dbraw/zinc/69/68/12/354696812.db2.gz YLCJGLABVTZUKF-MXWKQRLJSA-N 2 2 269.345 -0.665 20 0 CBADLP C[NH2+]CCCN(C)C(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000563111980 354697732 /nfs/dbraw/zinc/69/77/32/354697732.db2.gz CZYMBGVKWILZBE-UHFFFAOYSA-N 2 2 272.393 -0.489 20 0 CBADLP C[NH2+]CCCN(C)C(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000563111980 354697733 /nfs/dbraw/zinc/69/77/33/354697733.db2.gz CZYMBGVKWILZBE-UHFFFAOYSA-N 2 2 272.393 -0.489 20 0 CBADLP Cn1ccc(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)n1 ZINC000563137715 354698414 /nfs/dbraw/zinc/69/84/14/354698414.db2.gz KOQJZUNKFYNEGK-CYBMUJFWSA-N 2 2 277.372 -0.184 20 0 CBADLP Cn1ccc(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)n1 ZINC000563137715 354698415 /nfs/dbraw/zinc/69/84/15/354698415.db2.gz KOQJZUNKFYNEGK-CYBMUJFWSA-N 2 2 277.372 -0.184 20 0 CBADLP C[NH+]1CCN(C(=O)CC[NH2+][C@](C)(C[NH3+])C2CC2)CC1 ZINC000563154377 354699574 /nfs/dbraw/zinc/69/95/74/354699574.db2.gz NGQYDFAZXYZMMI-CQSZACIVSA-N 3 2 268.405 -0.133 20 0 CBADLP C[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC[N@@H+]1CCO ZINC000563204834 354702598 /nfs/dbraw/zinc/70/25/98/354702598.db2.gz WQKCFNXTTKULFF-OLZOCXBDSA-N 2 2 292.383 -0.030 20 0 CBADLP C[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC[N@H+]1CCO ZINC000563204834 354702602 /nfs/dbraw/zinc/70/26/02/354702602.db2.gz WQKCFNXTTKULFF-OLZOCXBDSA-N 2 2 292.383 -0.030 20 0 CBADLP C[C@H](C[NH3+])C(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000563807893 354705547 /nfs/dbraw/zinc/70/55/47/354705547.db2.gz JIVALAWENDHDEJ-LLVKDONJSA-N 2 2 265.361 -0.341 20 0 CBADLP COC[C@@H](O)C[NH+]1CCC(CO)([NH2+]C(C)C)CC1 ZINC000563894117 354706757 /nfs/dbraw/zinc/70/67/57/354706757.db2.gz GYKGUFVYFGLCRE-LBPRGKRZSA-N 2 2 260.378 -0.181 20 0 CBADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@]2(C)CC[NH2+]C2)CC1 ZINC000563960548 354708815 /nfs/dbraw/zinc/70/88/15/354708815.db2.gz SXSKHDGTPOTSJK-HNNXBMFYSA-N 2 2 296.415 -0.344 20 0 CBADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@]2(C)CC[NH2+]C2)CC1 ZINC000563960548 354708818 /nfs/dbraw/zinc/70/88/18/354708818.db2.gz SXSKHDGTPOTSJK-HNNXBMFYSA-N 2 2 296.415 -0.344 20 0 CBADLP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)[C@H]1CC[NH2+]C1 ZINC000564085255 354710108 /nfs/dbraw/zinc/71/01/08/354710108.db2.gz IULKLUKWXWTXLS-LBPRGKRZSA-N 3 2 254.378 -0.556 20 0 CBADLP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)[C@H]1CC[NH2+]C1 ZINC000564085255 354710111 /nfs/dbraw/zinc/71/01/11/354710111.db2.gz IULKLUKWXWTXLS-LBPRGKRZSA-N 3 2 254.378 -0.556 20 0 CBADLP C[N@@H+]1CCN(C(=O)COC2CCC([NH3+])CC2)[C@@H](C[NH3+])C1 ZINC000564798035 354717168 /nfs/dbraw/zinc/71/71/68/354717168.db2.gz QBSOSIRAJBPMAQ-CPCZMJQVSA-N 3 2 284.404 -0.626 20 0 CBADLP C[N@H+]1CCN(C(=O)COC2CCC([NH3+])CC2)[C@@H](C[NH3+])C1 ZINC000564798035 354717174 /nfs/dbraw/zinc/71/71/74/354717174.db2.gz QBSOSIRAJBPMAQ-CPCZMJQVSA-N 3 2 284.404 -0.626 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000565154565 354728870 /nfs/dbraw/zinc/72/88/70/354728870.db2.gz BICTZCMCNBUDHN-RYUDHWBXSA-N 2 2 258.362 -0.618 20 0 CBADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]C[C@H](O)C2CC2)C[C@H](C)O1 ZINC000565775415 354745853 /nfs/dbraw/zinc/74/58/53/354745853.db2.gz RSVFCXDDHRDVGN-WVWOOGAGSA-N 2 2 272.389 -0.183 20 0 CBADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]C[C@H](O)C2CC2)C[C@H](C)O1 ZINC000565775415 354745857 /nfs/dbraw/zinc/74/58/57/354745857.db2.gz RSVFCXDDHRDVGN-WVWOOGAGSA-N 2 2 272.389 -0.183 20 0 CBADLP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000565834412 354746525 /nfs/dbraw/zinc/74/65/25/354746525.db2.gz MXIWIRFSSRMWMQ-MFKMUULPSA-N 2 2 268.361 -0.094 20 0 CBADLP CNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000565834412 354746526 /nfs/dbraw/zinc/74/65/26/354746526.db2.gz MXIWIRFSSRMWMQ-MFKMUULPSA-N 2 2 268.361 -0.094 20 0 CBADLP CC[NH2+]CCCNC(=O)[C@@H](C)[NH+]1CCN(C)CC1 ZINC000566010443 354750953 /nfs/dbraw/zinc/75/09/53/354750953.db2.gz WMYSJYGDPIXPNT-GFCCVEGCSA-N 2 2 256.394 -0.262 20 0 CBADLP O=C(C[C@H]1COCC[NH2+]1)NCCNc1cccc[nH+]1 ZINC000567584918 354790916 /nfs/dbraw/zinc/79/09/16/354790916.db2.gz FPANISRWQFVKNF-NSHDSACASA-N 2 2 264.329 -0.012 20 0 CBADLP C[N@@H+]1CCN(C(=O)CNC(=O)CC2CCCC2)[C@H](C[NH3+])C1 ZINC000566200710 354756910 /nfs/dbraw/zinc/75/69/10/354756910.db2.gz XVUSLZFNUSHPSO-CYBMUJFWSA-N 2 2 296.415 -0.216 20 0 CBADLP C[N@H+]1CCN(C(=O)CNC(=O)CC2CCCC2)[C@H](C[NH3+])C1 ZINC000566200710 354756911 /nfs/dbraw/zinc/75/69/11/354756911.db2.gz XVUSLZFNUSHPSO-CYBMUJFWSA-N 2 2 296.415 -0.216 20 0 CBADLP Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)C[NH3+])cn1 ZINC000566249238 354760064 /nfs/dbraw/zinc/76/00/64/354760064.db2.gz PZMJOULFGQRBOL-QWRGUYRKSA-N 2 2 269.324 -0.593 20 0 CBADLP Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)C[NH3+])cn1 ZINC000566249238 354760066 /nfs/dbraw/zinc/76/00/66/354760066.db2.gz PZMJOULFGQRBOL-QWRGUYRKSA-N 2 2 269.324 -0.593 20 0 CBADLP COC(=O)CNC(=O)[C@H](C)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000566416584 354765337 /nfs/dbraw/zinc/76/53/37/354765337.db2.gz NCGOXJYPOPSNGH-JTQLQIEISA-N 2 2 295.343 -0.791 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCCO[C@H](CF)C1 ZINC000566429750 354766333 /nfs/dbraw/zinc/76/63/33/354766333.db2.gz YBTOTGDUTNOEIA-CHWSQXEVSA-N 2 2 278.368 -0.014 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCCO[C@H](CF)C1 ZINC000566429750 354766336 /nfs/dbraw/zinc/76/63/36/354766336.db2.gz YBTOTGDUTNOEIA-CHWSQXEVSA-N 2 2 278.368 -0.014 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCCO[C@H](CF)C1 ZINC000566429750 354766339 /nfs/dbraw/zinc/76/63/39/354766339.db2.gz YBTOTGDUTNOEIA-CHWSQXEVSA-N 2 2 278.368 -0.014 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCCO[C@H](CF)C1 ZINC000566429750 354766344 /nfs/dbraw/zinc/76/63/44/354766344.db2.gz YBTOTGDUTNOEIA-CHWSQXEVSA-N 2 2 278.368 -0.014 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000566560080 354770809 /nfs/dbraw/zinc/77/08/09/354770809.db2.gz CIBZUXQGLCSNGE-NWDGAFQWSA-N 2 2 284.404 -0.362 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000566560080 354770812 /nfs/dbraw/zinc/77/08/12/354770812.db2.gz CIBZUXQGLCSNGE-NWDGAFQWSA-N 2 2 284.404 -0.362 20 0 CBADLP C[NH2+][C@@H]1CCC[N@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000566619908 354771783 /nfs/dbraw/zinc/77/17/83/354771783.db2.gz IQEIFDBWFUOAIJ-CHWSQXEVSA-N 3 2 268.405 -0.133 20 0 CBADLP C[NH2+][C@@H]1CCC[N@@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000566619908 354771785 /nfs/dbraw/zinc/77/17/85/354771785.db2.gz IQEIFDBWFUOAIJ-CHWSQXEVSA-N 3 2 268.405 -0.133 20 0 CBADLP CN(C)C(=O)c1ccc(CN2CC[N@H+](C)C[C@@H]2C[NH3+])[nH]1 ZINC000566620181 354771913 /nfs/dbraw/zinc/77/19/13/354771913.db2.gz QQJYEHUMACRLFQ-LBPRGKRZSA-N 2 2 279.388 -0.209 20 0 CBADLP CN(C)C(=O)c1ccc(CN2CC[N@@H+](C)C[C@@H]2C[NH3+])[nH]1 ZINC000566620181 354771915 /nfs/dbraw/zinc/77/19/15/354771915.db2.gz QQJYEHUMACRLFQ-LBPRGKRZSA-N 2 2 279.388 -0.209 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@]2(C)CC[NH2+]C2)CCO1 ZINC000567051211 354780671 /nfs/dbraw/zinc/78/06/71/354780671.db2.gz IDLVMYZDDNDXBE-DGCLKSJQSA-N 2 2 255.362 -0.177 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@]2(C)CC[NH2+]C2)CCO1 ZINC000567051211 354780673 /nfs/dbraw/zinc/78/06/73/354780673.db2.gz IDLVMYZDDNDXBE-DGCLKSJQSA-N 2 2 255.362 -0.177 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@]2(C)CC[NH2+]C2)CCO1 ZINC000567051213 354780767 /nfs/dbraw/zinc/78/07/67/354780767.db2.gz IDLVMYZDDNDXBE-YPMHNXCESA-N 2 2 255.362 -0.177 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@]2(C)CC[NH2+]C2)CCO1 ZINC000567051213 354780769 /nfs/dbraw/zinc/78/07/69/354780769.db2.gz IDLVMYZDDNDXBE-YPMHNXCESA-N 2 2 255.362 -0.177 20 0 CBADLP C[NH2+]C[C@](C)(O)C[N@H+](C)Cc1cnc(N(C)C)nc1 ZINC000567172553 354782505 /nfs/dbraw/zinc/78/25/05/354782505.db2.gz SGBHWYNWUUSJPX-ZDUSSCGKSA-N 2 2 267.377 -0.055 20 0 CBADLP C[NH2+]C[C@](C)(O)C[N@@H+](C)Cc1cnc(N(C)C)nc1 ZINC000567172553 354782506 /nfs/dbraw/zinc/78/25/06/354782506.db2.gz SGBHWYNWUUSJPX-ZDUSSCGKSA-N 2 2 267.377 -0.055 20 0 CBADLP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000567271653 354784761 /nfs/dbraw/zinc/78/47/61/354784761.db2.gz DZDRSRWVCPQGQG-BARDWOONSA-N 3 2 282.432 -0.363 20 0 CBADLP C[N@@H+]1CCN(C(=O)CCNC(=O)c2ccco2)[C@@H](C[NH3+])C1 ZINC000565302069 354735515 /nfs/dbraw/zinc/73/55/15/354735515.db2.gz AOKPTCKWELALFC-NSHDSACASA-N 2 2 294.355 -0.499 20 0 CBADLP C[N@H+]1CCN(C(=O)CCNC(=O)c2ccco2)[C@@H](C[NH3+])C1 ZINC000565302069 354735518 /nfs/dbraw/zinc/73/55/18/354735518.db2.gz AOKPTCKWELALFC-NSHDSACASA-N 2 2 294.355 -0.499 20 0 CBADLP C[C@@H]1C[C@H](NC[C@H](O)C[NH+]2CCOCC2)C[N@@H+]1C1CC1 ZINC000565534635 354739357 /nfs/dbraw/zinc/73/93/57/354739357.db2.gz BVHVAAQQWNSNCY-IPYPFGDCSA-N 2 2 283.416 -0.106 20 0 CBADLP C[C@@H]1C[C@H](NC[C@H](O)C[NH+]2CCOCC2)C[N@H+]1C1CC1 ZINC000565534635 354739361 /nfs/dbraw/zinc/73/93/61/354739361.db2.gz BVHVAAQQWNSNCY-IPYPFGDCSA-N 2 2 283.416 -0.106 20 0 CBADLP COC(=O)C[C@H]([NH3+])C(=O)Nc1c[nH+]ccc1OC ZINC000565483022 354739381 /nfs/dbraw/zinc/73/93/81/354739381.db2.gz UTYAEQWFSCQMOH-ZETCQYMHSA-N 2 2 253.258 -0.081 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000565489186 354739674 /nfs/dbraw/zinc/73/96/74/354739674.db2.gz OXEAQVWZGRMZRB-KBPBESRZSA-N 2 2 297.403 -0.280 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000565489186 354739675 /nfs/dbraw/zinc/73/96/75/354739675.db2.gz OXEAQVWZGRMZRB-KBPBESRZSA-N 2 2 297.403 -0.280 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000565489186 354739676 /nfs/dbraw/zinc/73/96/76/354739676.db2.gz OXEAQVWZGRMZRB-KBPBESRZSA-N 2 2 297.403 -0.280 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000565489186 354739677 /nfs/dbraw/zinc/73/96/77/354739677.db2.gz OXEAQVWZGRMZRB-KBPBESRZSA-N 2 2 297.403 -0.280 20 0 CBADLP COCC1(C(=O)NCC[N@@H+]2CCO[C@H](C)C2)CC[NH2+]CC1 ZINC000565482857 354739720 /nfs/dbraw/zinc/73/97/20/354739720.db2.gz RRFLLQSNDKQBQR-CYBMUJFWSA-N 2 2 299.415 -0.161 20 0 CBADLP COCC1(C(=O)NCC[N@H+]2CCO[C@H](C)C2)CC[NH2+]CC1 ZINC000565482857 354739721 /nfs/dbraw/zinc/73/97/21/354739721.db2.gz RRFLLQSNDKQBQR-CYBMUJFWSA-N 2 2 299.415 -0.161 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NCCCC[NH3+] ZINC000565537442 354740733 /nfs/dbraw/zinc/74/07/33/354740733.db2.gz GXMDLXPBAVWRTJ-UHFFFAOYSA-N 2 2 258.366 -0.702 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NCCCC[NH3+] ZINC000565537442 354740735 /nfs/dbraw/zinc/74/07/35/354740735.db2.gz GXMDLXPBAVWRTJ-UHFFFAOYSA-N 2 2 258.366 -0.702 20 0 CBADLP C[C@@H]1CCN(C(=O)C(=O)NC2C[NH2+]C2)C[C@H]1n1cc[nH+]c1 ZINC000565647999 354743393 /nfs/dbraw/zinc/74/33/93/354743393.db2.gz KDDRADIWYSACET-ZYHUDNBSSA-N 2 2 291.355 -0.619 20 0 CBADLP C[N@H+](CC(=O)N1CC[NH2+]CC1)C[C@@]1(C)CC[NH2+]C1 ZINC000567864916 354801881 /nfs/dbraw/zinc/80/18/81/354801881.db2.gz ZBEWNAJZRIRPMV-ZDUSSCGKSA-N 3 2 254.378 -0.650 20 0 CBADLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)C[C@@]1(C)CC[NH2+]C1 ZINC000567864916 354801882 /nfs/dbraw/zinc/80/18/82/354801882.db2.gz ZBEWNAJZRIRPMV-ZDUSSCGKSA-N 3 2 254.378 -0.650 20 0 CBADLP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NCCn1cc[nH+]c1 ZINC000567880891 354802706 /nfs/dbraw/zinc/80/27/06/354802706.db2.gz PCNXNGSTWOLPJH-NXEZZACHSA-N 2 2 267.333 -0.759 20 0 CBADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)NCCC(=O)OC)C1 ZINC000567893021 354803692 /nfs/dbraw/zinc/80/36/92/354803692.db2.gz DRKULLFWGWUJOH-JTQLQIEISA-N 2 2 257.334 -0.793 20 0 CBADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)NCCC(=O)OC)C1 ZINC000567893021 354803694 /nfs/dbraw/zinc/80/36/94/354803694.db2.gz DRKULLFWGWUJOH-JTQLQIEISA-N 2 2 257.334 -0.793 20 0 CBADLP C[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)C1(S(C)(=O)=O)CC1 ZINC000568859886 354833204 /nfs/dbraw/zinc/83/32/04/354833204.db2.gz ZTDDODNUTBLHEN-JQWIXIFHSA-N 2 2 290.429 -0.003 20 0 CBADLP C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)C1(S(C)(=O)=O)CC1 ZINC000568859886 354833206 /nfs/dbraw/zinc/83/32/06/354833206.db2.gz ZTDDODNUTBLHEN-JQWIXIFHSA-N 2 2 290.429 -0.003 20 0 CBADLP C[NH+]1CCN(C(=O)CCN2CC[C@@H]3OCC[NH2+][C@H]3C2)CC1 ZINC000568050767 354809489 /nfs/dbraw/zinc/80/94/89/354809489.db2.gz DWWBZEVJKABOAT-KBPBESRZSA-N 2 2 296.415 -0.787 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@@H]3OCCN[C@H]3C2)CC1 ZINC000568050767 354809493 /nfs/dbraw/zinc/80/94/93/354809493.db2.gz DWWBZEVJKABOAT-KBPBESRZSA-N 2 2 296.415 -0.787 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@@H]3OCCN[C@H]3C2)CC1 ZINC000568050767 354809495 /nfs/dbraw/zinc/80/94/95/354809495.db2.gz DWWBZEVJKABOAT-KBPBESRZSA-N 2 2 296.415 -0.787 20 0 CBADLP C[NH+]1CCN(C(=O)CCN2CC[C@H]3OCC[NH2+][C@@H]3C2)CC1 ZINC000568050770 354809681 /nfs/dbraw/zinc/80/96/81/354809681.db2.gz DWWBZEVJKABOAT-ZIAGYGMSSA-N 2 2 296.415 -0.787 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@H]3OCCN[C@@H]3C2)CC1 ZINC000568050770 354809683 /nfs/dbraw/zinc/80/96/83/354809683.db2.gz DWWBZEVJKABOAT-ZIAGYGMSSA-N 2 2 296.415 -0.787 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@H]3OCCN[C@@H]3C2)CC1 ZINC000568050770 354809684 /nfs/dbraw/zinc/80/96/84/354809684.db2.gz DWWBZEVJKABOAT-ZIAGYGMSSA-N 2 2 296.415 -0.787 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000568166228 354812487 /nfs/dbraw/zinc/81/24/87/354812487.db2.gz GJYDZJPHTUGIGJ-XUXIUFHCSA-N 2 2 299.415 -0.489 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000568166228 354812488 /nfs/dbraw/zinc/81/24/88/354812488.db2.gz GJYDZJPHTUGIGJ-XUXIUFHCSA-N 2 2 299.415 -0.489 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000568166228 354812489 /nfs/dbraw/zinc/81/24/89/354812489.db2.gz GJYDZJPHTUGIGJ-XUXIUFHCSA-N 2 2 299.415 -0.489 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000568166228 354812490 /nfs/dbraw/zinc/81/24/90/354812490.db2.gz GJYDZJPHTUGIGJ-XUXIUFHCSA-N 2 2 299.415 -0.489 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@](O)(C(F)F)C1 ZINC000568175891 354813360 /nfs/dbraw/zinc/81/33/60/354813360.db2.gz KSKYAFJVOIFFQX-JQWIXIFHSA-N 2 2 282.331 -0.373 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@](O)(C(F)F)C1 ZINC000568175891 354813362 /nfs/dbraw/zinc/81/33/62/354813362.db2.gz KSKYAFJVOIFFQX-JQWIXIFHSA-N 2 2 282.331 -0.373 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000568175891 354813364 /nfs/dbraw/zinc/81/33/64/354813364.db2.gz KSKYAFJVOIFFQX-JQWIXIFHSA-N 2 2 282.331 -0.373 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC000568175891 354813366 /nfs/dbraw/zinc/81/33/66/354813366.db2.gz KSKYAFJVOIFFQX-JQWIXIFHSA-N 2 2 282.331 -0.373 20 0 CBADLP CC(C)(C)CCNC(=O)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000568267633 354819382 /nfs/dbraw/zinc/81/93/82/354819382.db2.gz KAYULECWVJONFF-RYUDHWBXSA-N 2 2 296.415 -0.217 20 0 CBADLP CC(C)(C)CCNC(=O)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000568267633 354819383 /nfs/dbraw/zinc/81/93/83/354819383.db2.gz KAYULECWVJONFF-RYUDHWBXSA-N 2 2 296.415 -0.217 20 0 CBADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@@H]([NH3+])C2CCC2)CC1 ZINC000568387107 354822837 /nfs/dbraw/zinc/82/28/37/354822837.db2.gz NNUJEENGOHNTJE-NSHDSACASA-N 2 2 282.388 -0.478 20 0 CBADLP C[C@H](CCCC[NH3+])NC(=O)CN1CC[NH2+]CC1=O ZINC000568882075 354834075 /nfs/dbraw/zinc/83/40/75/354834075.db2.gz QXNUSHNNFLIMJW-SNVBAGLBSA-N 2 2 256.350 -0.948 20 0 CBADLP CCCNC(=O)[C@H](C)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000568654855 354829901 /nfs/dbraw/zinc/82/99/01/354829901.db2.gz YGFHFMCOTQXOCY-DCAQKATOSA-N 2 2 268.361 -0.855 20 0 CBADLP CCCNC(=O)[C@H](C)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000568654855 354829904 /nfs/dbraw/zinc/82/99/04/354829904.db2.gz YGFHFMCOTQXOCY-DCAQKATOSA-N 2 2 268.361 -0.855 20 0 CBADLP C[NH+]1CCN(CCNC(=O)CC(F)(F)C[NH3+])CC1 ZINC000568762703 354832193 /nfs/dbraw/zinc/83/21/93/354832193.db2.gz ZZMWJTYECDBWDZ-UHFFFAOYSA-N 2 2 264.320 -0.666 20 0 CBADLP CO[C@@H](C[NH3+])CC(=O)N(C)CC[NH+]1CCOCC1 ZINC000567765266 354796174 /nfs/dbraw/zinc/79/61/74/354796174.db2.gz OVCRPEVDYUVWLB-LLVKDONJSA-N 2 2 259.350 -0.859 20 0 CBADLP CO[C@@H]1CCC[C@H]1NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000570667061 354866812 /nfs/dbraw/zinc/86/68/12/354866812.db2.gz BTMOKBZXGUXGIA-IJLUTSLNSA-N 2 2 270.377 -0.162 20 0 CBADLP CO[C@@H]1CCC[C@H]1NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000570667061 354866815 /nfs/dbraw/zinc/86/68/15/354866815.db2.gz BTMOKBZXGUXGIA-IJLUTSLNSA-N 2 2 270.377 -0.162 20 0 CBADLP O=C1NCCN1CC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000570824195 354870389 /nfs/dbraw/zinc/87/03/89/354870389.db2.gz PTTUHVOLRYVFTD-UHFFFAOYSA-N 2 2 264.333 -0.443 20 0 CBADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)NCCCN1CCCC1=O ZINC000571058263 354875919 /nfs/dbraw/zinc/87/59/19/354875919.db2.gz RQMVIBDARMCMPP-QWHCGFSZSA-N 2 2 296.415 -0.073 20 0 CBADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)NCCCN1CCCC1=O ZINC000571058263 354875920 /nfs/dbraw/zinc/87/59/20/354875920.db2.gz RQMVIBDARMCMPP-QWHCGFSZSA-N 2 2 296.415 -0.073 20 0 CBADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)NCCCN1CCCC1=O ZINC000571058262 354876323 /nfs/dbraw/zinc/87/63/23/354876323.db2.gz RQMVIBDARMCMPP-OLZOCXBDSA-N 2 2 296.415 -0.073 20 0 CBADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)NCCCN1CCCC1=O ZINC000571058262 354876327 /nfs/dbraw/zinc/87/63/27/354876327.db2.gz RQMVIBDARMCMPP-OLZOCXBDSA-N 2 2 296.415 -0.073 20 0 CBADLP C[C@H](C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)[NH+]1CCN(C)CC1 ZINC000571683545 354877692 /nfs/dbraw/zinc/87/76/92/354877692.db2.gz SUUSAPSZEUDOLB-MCIONIFRSA-N 2 2 280.416 -0.167 20 0 CBADLP C[C@H](CS(C)(=O)=O)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000571682648 354877979 /nfs/dbraw/zinc/87/79/79/354877979.db2.gz SVRKAGVDUPNGLD-LLVKDONJSA-N 2 2 263.407 -0.744 20 0 CBADLP C[C@H](CS(C)(=O)=O)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000571682648 354877981 /nfs/dbraw/zinc/87/79/81/354877981.db2.gz SVRKAGVDUPNGLD-LLVKDONJSA-N 2 2 263.407 -0.744 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000568988409 354836454 /nfs/dbraw/zinc/83/64/54/354836454.db2.gz SCXYKWNVTDFHIQ-QWRGUYRKSA-N 2 2 272.393 -0.315 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000568988409 354836457 /nfs/dbraw/zinc/83/64/57/354836457.db2.gz SCXYKWNVTDFHIQ-QWRGUYRKSA-N 2 2 272.393 -0.315 20 0 CBADLP Cn1c(C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cccc1=O ZINC000569117602 354839159 /nfs/dbraw/zinc/83/91/59/354839159.db2.gz MYBQOEAGHAWUKZ-JTQLQIEISA-N 2 2 264.329 -0.900 20 0 CBADLP Cn1c(C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cccc1=O ZINC000569117602 354839162 /nfs/dbraw/zinc/83/91/62/354839162.db2.gz MYBQOEAGHAWUKZ-JTQLQIEISA-N 2 2 264.329 -0.900 20 0 CBADLP COC(=O)C[C@H]([NH3+])C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000569238431 354841220 /nfs/dbraw/zinc/84/12/20/354841220.db2.gz LWVOXILIOKWKQP-NSHDSACASA-N 2 2 290.323 -0.117 20 0 CBADLP COC[C@H](CO)[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000570279456 354858518 /nfs/dbraw/zinc/85/85/18/354858518.db2.gz GCHDBQBQQUYPPJ-RNJOBUHISA-N 2 2 276.377 -0.947 20 0 CBADLP COC[C@H](CO)[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000570279456 354858520 /nfs/dbraw/zinc/85/85/20/354858520.db2.gz GCHDBQBQQUYPPJ-RNJOBUHISA-N 2 2 276.377 -0.947 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)c2c[nH+]ccc2N)CCO1 ZINC000570453220 354861822 /nfs/dbraw/zinc/86/18/22/354861822.db2.gz QEBBPRFOICNVKS-JTQLQIEISA-N 2 2 264.329 -0.055 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)c2c[nH+]ccc2N)CCO1 ZINC000570453220 354861825 /nfs/dbraw/zinc/86/18/25/354861825.db2.gz QEBBPRFOICNVKS-JTQLQIEISA-N 2 2 264.329 -0.055 20 0 CBADLP CC[C@H]1C[N@H+](C)CCN1C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000571999089 354884203 /nfs/dbraw/zinc/88/42/03/354884203.db2.gz JKYRFMJNBOSVRM-KBPBESRZSA-N 2 2 297.447 -0.032 20 0 CBADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000571999089 354884207 /nfs/dbraw/zinc/88/42/07/354884207.db2.gz JKYRFMJNBOSVRM-KBPBESRZSA-N 2 2 297.447 -0.032 20 0 CBADLP CC[C@H]1C[NH+](C)CCN1C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000571999089 354884212 /nfs/dbraw/zinc/88/42/12/354884212.db2.gz JKYRFMJNBOSVRM-KBPBESRZSA-N 2 2 297.447 -0.032 20 0 CBADLP CC[C@H]1C[NH+](C)CCN1C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000571999089 354884216 /nfs/dbraw/zinc/88/42/16/354884216.db2.gz JKYRFMJNBOSVRM-KBPBESRZSA-N 2 2 297.447 -0.032 20 0 CBADLP C[N@H+](C[C@H](O)C[NH+]1CC[C@H](CO)[C@@H](O)C1)C1CC1 ZINC000572207568 354888135 /nfs/dbraw/zinc/88/81/35/354888135.db2.gz BWIVCHCTOZYLJQ-WXHSDQCUSA-N 2 2 258.362 -0.883 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH+]1CC[C@H](CO)[C@@H](O)C1)C1CC1 ZINC000572207568 354888136 /nfs/dbraw/zinc/88/81/36/354888136.db2.gz BWIVCHCTOZYLJQ-WXHSDQCUSA-N 2 2 258.362 -0.883 20 0 CBADLP C[NH+](C[C@H](O)C[N@@H+]1CC[C@H](CO)[C@@H](O)C1)C1CC1 ZINC000572207568 354888138 /nfs/dbraw/zinc/88/81/38/354888138.db2.gz BWIVCHCTOZYLJQ-WXHSDQCUSA-N 2 2 258.362 -0.883 20 0 CBADLP C[NH+](C[C@H](O)C[N@H+]1CC[C@H](CO)[C@@H](O)C1)C1CC1 ZINC000572207568 354888139 /nfs/dbraw/zinc/88/81/39/354888139.db2.gz BWIVCHCTOZYLJQ-WXHSDQCUSA-N 2 2 258.362 -0.883 20 0 CBADLP [NH3+][C@H](C(=O)NCCC[NH+]1CCOCC1)c1cscn1 ZINC000572995433 354902793 /nfs/dbraw/zinc/90/27/93/354902793.db2.gz CZNOSYKIOXVTEP-NSHDSACASA-N 2 2 284.385 -0.019 20 0 CBADLP C[C@H](C(=O)N(C)C1CC([NH3+])C1)[NH+]1CCN(C)CC1 ZINC000573610284 354917702 /nfs/dbraw/zinc/91/77/02/354917702.db2.gz IZECLLRSJZDNMW-VOMCLLRMSA-N 2 2 254.378 -0.430 20 0 CBADLP Cc1c[nH+]c(C)nc1N1CCO[C@H](C[N@@H+](C)CC(N)=O)C1 ZINC000573138828 354905641 /nfs/dbraw/zinc/90/56/41/354905641.db2.gz STRSWWLPLQTEEK-GFCCVEGCSA-N 2 2 293.371 -0.284 20 0 CBADLP Cc1c[nH+]c(C)nc1N1CCO[C@H](C[N@H+](C)CC(N)=O)C1 ZINC000573138828 354905642 /nfs/dbraw/zinc/90/56/42/354905642.db2.gz STRSWWLPLQTEEK-GFCCVEGCSA-N 2 2 293.371 -0.284 20 0 CBADLP NC(=O)[C@@H]1C[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CCO1 ZINC000573121580 354906287 /nfs/dbraw/zinc/90/62/87/354906287.db2.gz LCASINKCENHNHI-IHRRRGAJSA-N 2 2 293.367 -0.897 20 0 CBADLP NC(=O)[C@@H]1C[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CCO1 ZINC000573121580 354906293 /nfs/dbraw/zinc/90/62/93/354906293.db2.gz LCASINKCENHNHI-IHRRRGAJSA-N 2 2 293.367 -0.897 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000573248024 354909303 /nfs/dbraw/zinc/90/93/03/354909303.db2.gz ZHQZTRTXABAJEQ-VHSXEESVSA-N 2 2 258.366 -0.705 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000573248024 354909304 /nfs/dbraw/zinc/90/93/04/354909304.db2.gz ZHQZTRTXABAJEQ-VHSXEESVSA-N 2 2 258.366 -0.705 20 0 CBADLP Cc1cc(CNC(=O)CN2CC[NH2+]CC2=O)cc(C)[nH+]1 ZINC000573485980 354914113 /nfs/dbraw/zinc/91/41/13/354914113.db2.gz TUBFJCLXDSGJIU-UHFFFAOYSA-N 2 2 276.340 -0.254 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](CC(N)=O)C1 ZINC000571773086 354880273 /nfs/dbraw/zinc/88/02/73/354880273.db2.gz ZKUOTNLEZVPHMQ-CHWSQXEVSA-N 2 2 287.404 -0.487 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](CC(N)=O)C1 ZINC000571773086 354880276 /nfs/dbraw/zinc/88/02/76/354880276.db2.gz ZKUOTNLEZVPHMQ-CHWSQXEVSA-N 2 2 287.404 -0.487 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](CC(N)=O)C1 ZINC000571773086 354880279 /nfs/dbraw/zinc/88/02/79/354880279.db2.gz ZKUOTNLEZVPHMQ-CHWSQXEVSA-N 2 2 287.404 -0.487 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](CC(N)=O)C1 ZINC000571773086 354880284 /nfs/dbraw/zinc/88/02/84/354880284.db2.gz ZKUOTNLEZVPHMQ-CHWSQXEVSA-N 2 2 287.404 -0.487 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@]12CCNC2=O ZINC000571818663 354880969 /nfs/dbraw/zinc/88/09/69/354880969.db2.gz SQCCVLWKDXIBRT-DGCLKSJQSA-N 2 2 255.362 -0.347 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@]12CCNC2=O ZINC000571818663 354880971 /nfs/dbraw/zinc/88/09/71/354880971.db2.gz SQCCVLWKDXIBRT-DGCLKSJQSA-N 2 2 255.362 -0.347 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@]12CCNC2=O ZINC000571818663 354880972 /nfs/dbraw/zinc/88/09/72/354880972.db2.gz SQCCVLWKDXIBRT-DGCLKSJQSA-N 2 2 255.362 -0.347 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@]12CCNC2=O ZINC000571818663 354880974 /nfs/dbraw/zinc/88/09/74/354880974.db2.gz SQCCVLWKDXIBRT-DGCLKSJQSA-N 2 2 255.362 -0.347 20 0 CBADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCSC2)[C@H](C[NH3+])C1 ZINC000574059530 354927350 /nfs/dbraw/zinc/92/73/50/354927350.db2.gz HRDGDJGJFIEQHB-NXEZZACHSA-N 2 2 258.391 -0.224 20 0 CBADLP C[C@@H](C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1)C[NH+]1CCOCC1 ZINC000574191820 354930082 /nfs/dbraw/zinc/93/00/82/354930082.db2.gz IXMPADNZMJENTL-DZGCQCFKSA-N 3 2 285.432 -0.001 20 0 CBADLP C[C@@H](C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)C[NH+]1CCOCC1 ZINC000574191820 354930086 /nfs/dbraw/zinc/93/00/86/354930086.db2.gz IXMPADNZMJENTL-DZGCQCFKSA-N 3 2 285.432 -0.001 20 0 CBADLP C[C@H](O)C[NH+]1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000574970607 354932430 /nfs/dbraw/zinc/93/24/30/354932430.db2.gz LLXIIKJASIDPNS-NSHDSACASA-N 2 2 252.318 -0.592 20 0 CBADLP C[C@H]([NH3+])C[C@H](C)NC(=O)NCC[NH+]1CCOCC1 ZINC000575044113 354933390 /nfs/dbraw/zinc/93/33/90/354933390.db2.gz HKXOTFDDDPPRAP-QWRGUYRKSA-N 2 2 258.366 -0.256 20 0 CBADLP CC[C@@H](COC)NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000575108541 354934520 /nfs/dbraw/zinc/93/45/20/354934520.db2.gz QARLPZZMRCFPCF-QWRGUYRKSA-N 2 2 258.366 -0.304 20 0 CBADLP CC[C@@H](COC)NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000575108541 354934523 /nfs/dbraw/zinc/93/45/23/354934523.db2.gz QARLPZZMRCFPCF-QWRGUYRKSA-N 2 2 258.366 -0.304 20 0 CBADLP C[N@@H+]1CCN(C(=O)NCc2ncccn2)[C@H](C[NH3+])C1 ZINC000577412123 354938317 /nfs/dbraw/zinc/93/83/17/354938317.db2.gz QTQHIAICRKWDSZ-SNVBAGLBSA-N 2 2 264.333 -0.739 20 0 CBADLP C[N@H+]1CCN(C(=O)NCc2ncccn2)[C@H](C[NH3+])C1 ZINC000577412123 354938321 /nfs/dbraw/zinc/93/83/21/354938321.db2.gz QTQHIAICRKWDSZ-SNVBAGLBSA-N 2 2 264.333 -0.739 20 0 CBADLP Cc1cc(NC(=O)N2CCN(C)C[C@H]2C[NH3+])cc[nH+]1 ZINC000578846695 354955209 /nfs/dbraw/zinc/95/52/09/354955209.db2.gz QCKXCMHJYZUJCW-GFCCVEGCSA-N 2 2 263.345 -0.081 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)C[NH2+]CC2CC2)CCO1 ZINC000579126004 354963078 /nfs/dbraw/zinc/96/30/78/354963078.db2.gz UUYSKTJBRGIOHX-NSHDSACASA-N 2 2 255.362 -0.177 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)C[NH2+]CC2CC2)CCO1 ZINC000579126004 354963086 /nfs/dbraw/zinc/96/30/86/354963086.db2.gz UUYSKTJBRGIOHX-NSHDSACASA-N 2 2 255.362 -0.177 20 0 CBADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000579123177 354963364 /nfs/dbraw/zinc/96/33/64/354963364.db2.gz NQAJCNSNQMRHST-CABZTGNLSA-N 2 2 254.334 -0.355 20 0 CBADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000579123177 354963365 /nfs/dbraw/zinc/96/33/65/354963365.db2.gz NQAJCNSNQMRHST-CABZTGNLSA-N 2 2 254.334 -0.355 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000579229014 354965277 /nfs/dbraw/zinc/96/52/77/354965277.db2.gz WACUFKNCEOZKBG-RYUDHWBXSA-N 2 2 284.404 -0.362 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000579229014 354965278 /nfs/dbraw/zinc/96/52/78/354965278.db2.gz WACUFKNCEOZKBG-RYUDHWBXSA-N 2 2 284.404 -0.362 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000579491418 354972324 /nfs/dbraw/zinc/97/23/24/354972324.db2.gz AXAMVVCPKCBTKU-ZDUSSCGKSA-N 2 2 264.329 -0.544 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@H]1CCC[N@H+]1CCCO ZINC000579603953 354974565 /nfs/dbraw/zinc/97/45/65/354974565.db2.gz VNADSWNSDQDYQN-GFCCVEGCSA-N 2 2 266.345 -0.154 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@H]1CCC[N@@H+]1CCCO ZINC000579603953 354974569 /nfs/dbraw/zinc/97/45/69/354974569.db2.gz VNADSWNSDQDYQN-GFCCVEGCSA-N 2 2 266.345 -0.154 20 0 CBADLP O=C(C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2)N1CCNC(=O)C1 ZINC000579710216 354977685 /nfs/dbraw/zinc/97/76/85/354977685.db2.gz GQHCHORRKSSOAJ-AWEZNQCLSA-N 2 2 280.372 -0.980 20 0 CBADLP O=C(C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)N1CCNC(=O)C1 ZINC000579710216 354977689 /nfs/dbraw/zinc/97/76/89/354977689.db2.gz GQHCHORRKSSOAJ-AWEZNQCLSA-N 2 2 280.372 -0.980 20 0 CBADLP C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)Cn1cc[nH+]c1 ZINC000579719752 354977914 /nfs/dbraw/zinc/97/79/14/354977914.db2.gz IBRFIXUALSTDDE-NWDGAFQWSA-N 2 2 266.345 -0.203 20 0 CBADLP C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)Cn1cc[nH+]c1 ZINC000579719752 354977921 /nfs/dbraw/zinc/97/79/21/354977921.db2.gz IBRFIXUALSTDDE-NWDGAFQWSA-N 2 2 266.345 -0.203 20 0 CBADLP C[N@H+](C[C@H](O)C[NH2+]C[C@H]1CC[C@H](C(N)=O)O1)C1CC1 ZINC000579943274 354983318 /nfs/dbraw/zinc/98/33/18/354983318.db2.gz IICPMRBLOGIQGW-IJLUTSLNSA-N 2 2 271.361 -0.936 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH2+]C[C@H]1CC[C@H](C(N)=O)O1)C1CC1 ZINC000579943274 354983321 /nfs/dbraw/zinc/98/33/21/354983321.db2.gz IICPMRBLOGIQGW-IJLUTSLNSA-N 2 2 271.361 -0.936 20 0 CBADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@@H]2CCCCC[NH2+]2)CC1 ZINC000580080010 354987888 /nfs/dbraw/zinc/98/78/88/354987888.db2.gz LYIFXBGXLWVBGQ-LBPRGKRZSA-N 2 2 296.415 -0.073 20 0 CBADLP CN1CCC[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)C1=O ZINC000580184821 354990053 /nfs/dbraw/zinc/99/00/53/354990053.db2.gz WDXVMVCYGSRWTC-VXGBXAGGSA-N 2 2 255.362 -0.348 20 0 CBADLP CN1CCC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)C1=O ZINC000580184821 354990054 /nfs/dbraw/zinc/99/00/54/354990054.db2.gz WDXVMVCYGSRWTC-VXGBXAGGSA-N 2 2 255.362 -0.348 20 0 CBADLP C[C@H]([NH3+])C[C@H](C)NC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000580323835 354993574 /nfs/dbraw/zinc/99/35/74/354993574.db2.gz LRAIGPGNUUYBOW-SRVKXCTJSA-N 2 2 271.409 -0.343 20 0 CBADLP C[C@H]([NH3+])C[C@H](C)NC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000580323835 354993577 /nfs/dbraw/zinc/99/35/77/354993577.db2.gz LRAIGPGNUUYBOW-SRVKXCTJSA-N 2 2 271.409 -0.343 20 0 CBADLP CCOC(=O)CC[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000580347521 354994966 /nfs/dbraw/zinc/99/49/66/354994966.db2.gz ZKAZUAVQBYBZQU-NXEZZACHSA-N 2 2 255.318 -0.817 20 0 CBADLP CCOC(=O)CC[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000580347521 354994970 /nfs/dbraw/zinc/99/49/70/354994970.db2.gz ZKAZUAVQBYBZQU-NXEZZACHSA-N 2 2 255.318 -0.817 20 0 CBADLP C[NH+](C)CC(=O)N1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000580386590 354994987 /nfs/dbraw/zinc/99/49/87/354994987.db2.gz QDPGQNWVYCRXQV-UHFFFAOYSA-N 2 2 279.344 -0.885 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000581006056 355003834 /nfs/dbraw/zinc/00/38/34/355003834.db2.gz VHHCQOHAEOGMCW-YNEHKIRRSA-N 2 2 294.399 -0.654 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000584524808 355031330 /nfs/dbraw/zinc/03/13/30/355031330.db2.gz JQQVETSWLWEDFS-KGLIPLIRSA-N 3 2 270.421 -0.722 20 0 CBADLP C[N@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000584524808 355031332 /nfs/dbraw/zinc/03/13/32/355031332.db2.gz JQQVETSWLWEDFS-KGLIPLIRSA-N 3 2 270.421 -0.722 20 0 CBADLP CC(C)C[C@@H]([NH3+])C[NH2+][C@@H]1CCN(S(C)(=O)=O)C1 ZINC000584622891 355033731 /nfs/dbraw/zinc/03/37/31/355033731.db2.gz SMMKKMIUCXIPKT-GHMZBOCLSA-N 2 2 263.407 -0.017 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000584779158 355037136 /nfs/dbraw/zinc/03/71/36/355037136.db2.gz BRTZRMHUPLKPLI-NEPJUHHUSA-N 2 2 284.404 -0.443 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000584779158 355037137 /nfs/dbraw/zinc/03/71/37/355037137.db2.gz BRTZRMHUPLKPLI-NEPJUHHUSA-N 2 2 284.404 -0.443 20 0 CBADLP CCO[C@@H]1COC[C@H]1[NH2+]C[C@H](O)C[N@H+](C)CCOC ZINC000581378849 355005426 /nfs/dbraw/zinc/00/54/26/355005426.db2.gz VIEDAGTXMLZPRI-YNEHKIRRSA-N 2 2 276.377 -0.681 20 0 CBADLP CCO[C@@H]1COC[C@H]1[NH2+]C[C@H](O)C[N@@H+](C)CCOC ZINC000581378849 355005429 /nfs/dbraw/zinc/00/54/29/355005429.db2.gz VIEDAGTXMLZPRI-YNEHKIRRSA-N 2 2 276.377 -0.681 20 0 CBADLP CC[C@H](CO)[NH+]1CCN(c2nc[nH+]c(N)c2OC)CC1 ZINC000582192057 355010193 /nfs/dbraw/zinc/01/01/93/355010193.db2.gz WQTDPJZQCZZMFU-SNVBAGLBSA-N 2 2 281.360 -0.040 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](c2nnc(C)[nH]2)C1 ZINC000582249026 355011622 /nfs/dbraw/zinc/01/16/22/355011622.db2.gz BYMLVRQXXSSZJJ-STQMWFEESA-N 2 2 297.403 -0.158 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](c2nnc(C)[nH]2)C1 ZINC000582249026 355011627 /nfs/dbraw/zinc/01/16/27/355011627.db2.gz BYMLVRQXXSSZJJ-STQMWFEESA-N 2 2 297.403 -0.158 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](c2nnc(C)[nH]2)C1 ZINC000582249026 355011631 /nfs/dbraw/zinc/01/16/31/355011631.db2.gz BYMLVRQXXSSZJJ-STQMWFEESA-N 2 2 297.403 -0.158 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](c2nnc(C)[nH]2)C1 ZINC000582249026 355011634 /nfs/dbraw/zinc/01/16/34/355011634.db2.gz BYMLVRQXXSSZJJ-STQMWFEESA-N 2 2 297.403 -0.158 20 0 CBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)Cn1cc[nH+]c1 ZINC000582275095 355012663 /nfs/dbraw/zinc/01/26/63/355012663.db2.gz HJPPJRAFXHPQMD-GFCCVEGCSA-N 2 2 282.344 -0.965 20 0 CBADLP Cc1cc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)ncn1 ZINC000582370890 355015301 /nfs/dbraw/zinc/01/53/01/355015301.db2.gz CIFXPCSLKRKEGQ-RYUDHWBXSA-N 2 2 261.329 -0.471 20 0 CBADLP Cc1cc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)ncn1 ZINC000582370890 355015304 /nfs/dbraw/zinc/01/53/04/355015304.db2.gz CIFXPCSLKRKEGQ-RYUDHWBXSA-N 2 2 261.329 -0.471 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(N2CCNC2=O)CC1 ZINC000582554083 355016869 /nfs/dbraw/zinc/01/68/69/355016869.db2.gz BOWJSEFWUIBEHJ-ZDUSSCGKSA-N 2 2 284.404 -0.211 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(N2CCNC2=O)CC1 ZINC000582554083 355016873 /nfs/dbraw/zinc/01/68/73/355016873.db2.gz BOWJSEFWUIBEHJ-ZDUSSCGKSA-N 2 2 284.404 -0.211 20 0 CBADLP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000583565262 355020298 /nfs/dbraw/zinc/02/02/98/355020298.db2.gz XOGWRVIOOXEFRK-QWRGUYRKSA-N 2 2 281.360 -0.369 20 0 CBADLP COC(=O)[C@@H]1CN(C(=O)C[NH+]2CC(C)(C)C2)CC[N@H+](C)C1 ZINC000583640938 355022255 /nfs/dbraw/zinc/02/22/55/355022255.db2.gz ZHNJQPWWSAUEPN-LBPRGKRZSA-N 2 2 297.399 -0.109 20 0 CBADLP COC(=O)[C@@H]1CN(C(=O)C[NH+]2CC(C)(C)C2)CC[N@@H+](C)C1 ZINC000583640938 355022260 /nfs/dbraw/zinc/02/22/60/355022260.db2.gz ZHNJQPWWSAUEPN-LBPRGKRZSA-N 2 2 297.399 -0.109 20 0 CBADLP C[C@H](NC(=O)C(C)(C)C)C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000583993195 355026155 /nfs/dbraw/zinc/02/61/55/355026155.db2.gz FRRNADPBJNLVET-QWRGUYRKSA-N 2 2 284.404 -0.362 20 0 CBADLP C[C@H](NC(=O)C(C)(C)C)C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000583993195 355026159 /nfs/dbraw/zinc/02/61/59/355026159.db2.gz FRRNADPBJNLVET-QWRGUYRKSA-N 2 2 284.404 -0.362 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](OC)C[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000583995137 355026169 /nfs/dbraw/zinc/02/61/69/355026169.db2.gz KZZMDTWVQPGENG-NEPJUHHUSA-N 2 2 299.371 -0.929 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](OC)C[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000583995137 355026174 /nfs/dbraw/zinc/02/61/74/355026174.db2.gz KZZMDTWVQPGENG-NEPJUHHUSA-N 2 2 299.371 -0.929 20 0 CBADLP NC(=O)NC(=O)CC[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000591735103 355112207 /nfs/dbraw/zinc/11/22/07/355112207.db2.gz ROSHZMLLJIBWNA-SNVBAGLBSA-N 2 2 254.334 -0.355 20 0 CBADLP NC(=O)NC(=O)CC[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000591735103 355112210 /nfs/dbraw/zinc/11/22/10/355112210.db2.gz ROSHZMLLJIBWNA-SNVBAGLBSA-N 2 2 254.334 -0.355 20 0 CBADLP O=C(C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)N1CCNC(=O)C1 ZINC000591866935 355113942 /nfs/dbraw/zinc/11/39/42/355113942.db2.gz KJGCFJCPCMOWCQ-GFCCVEGCSA-N 2 2 291.355 -0.522 20 0 CBADLP O=C(C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)N1CCNC(=O)C1 ZINC000591866935 355113946 /nfs/dbraw/zinc/11/39/46/355113946.db2.gz KJGCFJCPCMOWCQ-GFCCVEGCSA-N 2 2 291.355 -0.522 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)[C@H]2CC[NH+](C)C2)CCO1 ZINC000591452663 355095601 /nfs/dbraw/zinc/09/56/01/355095601.db2.gz OIRHCXGCRWHBHJ-RYUDHWBXSA-N 2 2 255.362 -0.225 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)[C@H]2CC[NH+](C)C2)CCO1 ZINC000591452663 355095603 /nfs/dbraw/zinc/09/56/03/355095603.db2.gz OIRHCXGCRWHBHJ-RYUDHWBXSA-N 2 2 255.362 -0.225 20 0 CBADLP C[C@H]1C[NH+](CCNC(=O)[C@H]2CC[N@H+](C)C2)CCO1 ZINC000591452663 355095605 /nfs/dbraw/zinc/09/56/05/355095605.db2.gz OIRHCXGCRWHBHJ-RYUDHWBXSA-N 2 2 255.362 -0.225 20 0 CBADLP C[C@H]1C[NH+](CCNC(=O)[C@H]2CC[N@@H+](C)C2)CCO1 ZINC000591452663 355095607 /nfs/dbraw/zinc/09/56/07/355095607.db2.gz OIRHCXGCRWHBHJ-RYUDHWBXSA-N 2 2 255.362 -0.225 20 0 CBADLP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)c1coc(C[NH3+])c1 ZINC000592557200 355163685 /nfs/dbraw/zinc/16/36/85/355163685.db2.gz WMSYVJZBOCQNRZ-NSHDSACASA-N 2 2 281.312 -0.285 20 0 CBADLP COC(=O)[C@H]1C[C@@H](O)C[N@H+](CCc2c[nH+]cn2C)C1 ZINC000592194193 355138486 /nfs/dbraw/zinc/13/84/86/355138486.db2.gz FDPJLVFOIIPOFX-CMPLNLGQSA-N 2 2 267.329 -0.182 20 0 CBADLP COC(=O)[C@H]1C[C@@H](O)C[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000592194193 355138488 /nfs/dbraw/zinc/13/84/88/355138488.db2.gz FDPJLVFOIIPOFX-CMPLNLGQSA-N 2 2 267.329 -0.182 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](O)C[N@H+](CCc2c[nH+]cn2C)C1 ZINC000592194206 355138844 /nfs/dbraw/zinc/13/88/44/355138844.db2.gz FDPJLVFOIIPOFX-ZYHUDNBSSA-N 2 2 267.329 -0.182 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000592194206 355138848 /nfs/dbraw/zinc/13/88/48/355138848.db2.gz FDPJLVFOIIPOFX-ZYHUDNBSSA-N 2 2 267.329 -0.182 20 0 CBADLP COC(=O)CN(C)C(=O)CC[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000592469560 355155432 /nfs/dbraw/zinc/15/54/32/355155432.db2.gz MZPJMEFBCZBOSK-JTQLQIEISA-N 2 2 257.334 -0.569 20 0 CBADLP COC(=O)CN(C)C(=O)CC[N@H+]1CCC[C@H]([NH3+])C1 ZINC000592469560 355155436 /nfs/dbraw/zinc/15/54/36/355155436.db2.gz MZPJMEFBCZBOSK-JTQLQIEISA-N 2 2 257.334 -0.569 20 0 CBADLP COC[C@H](C)NC(=O)NC(=O)C[N@H+](C)CCC[NH3+] ZINC000592473653 355156244 /nfs/dbraw/zinc/15/62/44/355156244.db2.gz MDKAITAYZTXEIP-VIFPVBQESA-N 2 2 260.338 -0.872 20 0 CBADLP COC[C@H](C)NC(=O)NC(=O)C[N@@H+](C)CCC[NH3+] ZINC000592473653 355156250 /nfs/dbraw/zinc/15/62/50/355156250.db2.gz MDKAITAYZTXEIP-VIFPVBQESA-N 2 2 260.338 -0.872 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)N2CCC[NH2+]C[C@@H]2C(=O)OC)C1 ZINC000592962712 355187658 /nfs/dbraw/zinc/18/76/58/355187658.db2.gz HNBSEFIJQFEQCT-NEPJUHHUSA-N 2 2 299.371 -0.929 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)N2CCC[NH2+]C[C@@H]2C(=O)OC)C1 ZINC000592962712 355187661 /nfs/dbraw/zinc/18/76/61/355187661.db2.gz HNBSEFIJQFEQCT-NEPJUHHUSA-N 2 2 299.371 -0.929 20 0 CBADLP COC(=O)[C@@](C)(NC(=O)[C@H]([NH3+])CC[NH+](C)C)C1CC1 ZINC000593902424 355225953 /nfs/dbraw/zinc/22/59/53/355225953.db2.gz SWGRRQBIVBVEAY-MFKMUULPSA-N 2 2 271.361 -0.277 20 0 CBADLP COC(=O)[C@H](C)CN(C)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000593907955 355227919 /nfs/dbraw/zinc/22/79/19/355227919.db2.gz WHRFYIYXZNPVOK-ZJUUUORDSA-N 2 2 259.350 -0.467 20 0 CBADLP COC(=O)[C@H](CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)CC1CC1 ZINC000593916936 355230099 /nfs/dbraw/zinc/23/00/99/355230099.db2.gz RURWVMMFHNXUJC-RYUDHWBXSA-N 2 2 285.388 -0.029 20 0 CBADLP COC(=O)c1ccc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)o1 ZINC000594736415 355258993 /nfs/dbraw/zinc/25/89/93/355258993.db2.gz HKGSNTCHVCLJJR-GXSJLCMTSA-N 2 2 293.323 -0.190 20 0 CBADLP COC(=O)c1ccc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)o1 ZINC000594736415 355258995 /nfs/dbraw/zinc/25/89/95/355258995.db2.gz HKGSNTCHVCLJJR-GXSJLCMTSA-N 2 2 293.323 -0.190 20 0 CBADLP COC(=O)c1ccc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)o1 ZINC000594736418 355259033 /nfs/dbraw/zinc/25/90/33/355259033.db2.gz HKGSNTCHVCLJJR-ONGXEEELSA-N 2 2 293.323 -0.190 20 0 CBADLP COC(=O)c1ccc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)o1 ZINC000594736418 355259035 /nfs/dbraw/zinc/25/90/35/355259035.db2.gz HKGSNTCHVCLJJR-ONGXEEELSA-N 2 2 293.323 -0.190 20 0 CBADLP CCc1nn(C)cc1C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000594736685 355259215 /nfs/dbraw/zinc/25/92/15/355259215.db2.gz LNNVOFLZOXEZGQ-NEPJUHHUSA-N 2 2 277.372 -0.274 20 0 CBADLP CCc1nn(C)cc1C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000594736685 355259218 /nfs/dbraw/zinc/25/92/18/355259218.db2.gz LNNVOFLZOXEZGQ-NEPJUHHUSA-N 2 2 277.372 -0.274 20 0 CBADLP COC(=O)[C@@H]1OCC[C@@H]1[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000595659705 355299146 /nfs/dbraw/zinc/29/91/46/355299146.db2.gz QEXBVADXTLJFBG-GRYCIOLGSA-N 2 2 272.345 -0.638 20 0 CBADLP COC(=O)[C@@H]1OCC[C@@H]1[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000595659705 355299149 /nfs/dbraw/zinc/29/91/49/355299149.db2.gz QEXBVADXTLJFBG-GRYCIOLGSA-N 2 2 272.345 -0.638 20 0 CBADLP C[NH2+]C[C@@H]1CC[N@@H+]([C@H]2CCN(CCC(=O)OC)C2=O)C1 ZINC000595890734 355314278 /nfs/dbraw/zinc/31/42/78/355314278.db2.gz FIOJRDYJGLRSKJ-RYUDHWBXSA-N 2 2 283.372 -0.308 20 0 CBADLP C[NH2+]C[C@@H]1CC[N@H+]([C@H]2CCN(CCC(=O)OC)C2=O)C1 ZINC000595890734 355314281 /nfs/dbraw/zinc/31/42/81/355314281.db2.gz FIOJRDYJGLRSKJ-RYUDHWBXSA-N 2 2 283.372 -0.308 20 0 CBADLP COC(=O)CCN1CC[C@H]([NH+]2CCC3(CC[NH2+]3)CC2)C1=O ZINC000595892700 355314324 /nfs/dbraw/zinc/31/43/24/355314324.db2.gz KITRSRIWFIESGS-LBPRGKRZSA-N 2 2 295.383 -0.022 20 0 CBADLP COC[C@](C)(CC(=O)OC)[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000595889946 355314448 /nfs/dbraw/zinc/31/44/48/355314448.db2.gz AIAUZYRBNCFUNV-PWSUYJOCSA-N 2 2 260.334 -0.467 20 0 CBADLP CC(C)CNC(=O)NC(=O)C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000595902205 355316763 /nfs/dbraw/zinc/31/67/63/355316763.db2.gz MHZRPQBNOWCKTJ-UHFFFAOYSA-N 2 2 286.376 -0.828 20 0 CBADLP COC(=O)CCN1CC[C@@H]([N@H+](C)CC(C)(C)[NH3+])C1=O ZINC000595901465 355317021 /nfs/dbraw/zinc/31/70/21/355317021.db2.gz WMTCNZHINRUEPK-SNVBAGLBSA-N 2 2 271.361 -0.181 20 0 CBADLP COC(=O)CCN1CC[C@@H]([N@@H+](C)CC(C)(C)[NH3+])C1=O ZINC000595901465 355317023 /nfs/dbraw/zinc/31/70/23/355317023.db2.gz WMTCNZHINRUEPK-SNVBAGLBSA-N 2 2 271.361 -0.181 20 0 CBADLP COC(=O)CN(C)C(=O)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000420287233 291064986 /nfs/dbraw/zinc/06/49/86/291064986.db2.gz HRYFMPSXSDYAIO-NEPJUHHUSA-N 2 2 283.372 -0.166 20 0 CBADLP COC(=O)CN(C)C(=O)CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000420287233 291064989 /nfs/dbraw/zinc/06/49/89/291064989.db2.gz HRYFMPSXSDYAIO-NEPJUHHUSA-N 2 2 283.372 -0.166 20 0 CBADLP COC(=O)[C@@H]1CN(C(=O)C2([NH+](C)C)CC2)CC[N@H+](C)C1 ZINC000597775939 355417949 /nfs/dbraw/zinc/41/79/49/355417949.db2.gz XACSOJVSOWATTM-NSHDSACASA-N 2 2 283.372 -0.356 20 0 CBADLP COC(=O)[C@@H]1CN(C(=O)C2([NH+](C)C)CC2)CC[N@@H+](C)C1 ZINC000597775939 355417951 /nfs/dbraw/zinc/41/79/51/355417951.db2.gz XACSOJVSOWATTM-NSHDSACASA-N 2 2 283.372 -0.356 20 0 CBADLP COc1ccc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cn1 ZINC000598684294 355450029 /nfs/dbraw/zinc/45/00/29/355450029.db2.gz VJOFKKQXVQXOFP-NWDGAFQWSA-N 2 2 276.340 -0.166 20 0 CBADLP COc1ccc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cn1 ZINC000598684294 355450031 /nfs/dbraw/zinc/45/00/31/355450031.db2.gz VJOFKKQXVQXOFP-NWDGAFQWSA-N 2 2 276.340 -0.166 20 0 CBADLP COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000599018207 355460240 /nfs/dbraw/zinc/46/02/40/355460240.db2.gz HIKWNYFNLWEHAM-NOOOWODRSA-N 2 2 256.346 -0.160 20 0 CBADLP COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000599018207 355460244 /nfs/dbraw/zinc/46/02/44/355460244.db2.gz HIKWNYFNLWEHAM-NOOOWODRSA-N 2 2 256.346 -0.160 20 0 CBADLP COC(=O)CC1CC([NH2+]CC[N@@H+]2CC[C@H](O)C2)C1 ZINC000599092113 355463805 /nfs/dbraw/zinc/46/38/05/355463805.db2.gz GGSTZQBNHDYJQX-MCIGGMRASA-N 2 2 256.346 -0.016 20 0 CBADLP COC(=O)CC1CC([NH2+]CC[N@H+]2CC[C@H](O)C2)C1 ZINC000599092113 355463808 /nfs/dbraw/zinc/46/38/08/355463808.db2.gz GGSTZQBNHDYJQX-MCIGGMRASA-N 2 2 256.346 -0.016 20 0 CBADLP COC(=O)c1cnc(C[N@H+](C)CCN2CC[NH2+]CC2)cn1 ZINC000600707080 355562332 /nfs/dbraw/zinc/56/23/32/355562332.db2.gz XPIONFVOBCBAFM-UHFFFAOYSA-N 2 2 293.371 -0.400 20 0 CBADLP COC(=O)c1cnc(C[N@@H+](C)CCN2CC[NH2+]CC2)cn1 ZINC000600707080 355562335 /nfs/dbraw/zinc/56/23/35/355562335.db2.gz XPIONFVOBCBAFM-UHFFFAOYSA-N 2 2 293.371 -0.400 20 0 CBADLP [NH3+][C@@H]1C[C@H]2C[N@@H+]([C@@H]3CCN(C4CCC4)C3=O)CCN2C1=O ZINC000601326604 355586441 /nfs/dbraw/zinc/58/64/41/355586441.db2.gz UJVHYCMMPKHZRH-YNEHKIRRSA-N 2 2 292.383 -0.616 20 0 CBADLP [NH3+][C@@H]1C[C@H]2C[N@H+]([C@@H]3CCN(C4CCC4)C3=O)CCN2C1=O ZINC000601326604 355586443 /nfs/dbraw/zinc/58/64/43/355586443.db2.gz UJVHYCMMPKHZRH-YNEHKIRRSA-N 2 2 292.383 -0.616 20 0 CBADLP COC(=O)CN(C)C(=O)CC[N@@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC000601330565 355587506 /nfs/dbraw/zinc/58/75/06/355587506.db2.gz UVSHUIHJFPSLSD-ZJUUUORDSA-N 2 2 257.334 -0.571 20 0 CBADLP COC(=O)CN(C)C(=O)CC[N@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC000601330565 355587511 /nfs/dbraw/zinc/58/75/11/355587511.db2.gz UVSHUIHJFPSLSD-ZJUUUORDSA-N 2 2 257.334 -0.571 20 0 CBADLP COC(=O)CCNC(=O)CC[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000600712037 355562510 /nfs/dbraw/zinc/56/25/10/355562510.db2.gz VOIIYVQLMCKEGI-MNOVXSKESA-N 2 2 271.361 -0.357 20 0 CBADLP COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000601145806 355578554 /nfs/dbraw/zinc/57/85/54/355578554.db2.gz RLDNNHWUDVHQQQ-UWVGGRQHSA-N 2 2 294.355 -0.015 20 0 CBADLP CC[NH+]1CCN(C(=O)C2([S@@](C)=O)CC[NH2+]CC2)CC1 ZINC000602468177 355651925 /nfs/dbraw/zinc/65/19/25/355651925.db2.gz UTFQJLUGJHPBGL-LJQANCHMSA-N 2 2 287.429 -0.349 20 0 CBADLP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000602491751 355653580 /nfs/dbraw/zinc/65/35/80/355653580.db2.gz MQOFREKUXMIOCI-CKYFFXLPSA-N 2 2 292.339 -0.123 20 0 CBADLP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000602491751 355653582 /nfs/dbraw/zinc/65/35/82/355653582.db2.gz MQOFREKUXMIOCI-CKYFFXLPSA-N 2 2 292.339 -0.123 20 0 CBADLP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC000602492542 355653598 /nfs/dbraw/zinc/65/35/98/355653598.db2.gz MRMPVIAIVCWFOR-NSHDSACASA-N 2 2 280.328 -0.376 20 0 CBADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2COC[C@@H]2O)CC1 ZINC000602726833 355668939 /nfs/dbraw/zinc/66/89/39/355668939.db2.gz ZSMMUPGKLRHLCD-OLZOCXBDSA-N 2 2 286.372 -0.247 20 0 CBADLP COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000602022938 355625689 /nfs/dbraw/zinc/62/56/89/355625689.db2.gz UCWNJLXNNRCDEH-XWLWVQCSSA-N 2 2 271.361 -0.360 20 0 CBADLP COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H](C)[NH+](C)C ZINC000602126105 355631891 /nfs/dbraw/zinc/63/18/91/355631891.db2.gz MBMJUKLUDSGAJC-SCZZXKLOSA-N 2 2 268.317 -0.440 20 0 CBADLP COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H](C)[NH+](C)C ZINC000602126105 355631895 /nfs/dbraw/zinc/63/18/95/355631895.db2.gz MBMJUKLUDSGAJC-SCZZXKLOSA-N 2 2 268.317 -0.440 20 0 CBADLP Cn1c[nH+]cc1CC[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000603429683 355715282 /nfs/dbraw/zinc/71/52/82/355715282.db2.gz OVOURYUTMSWZRP-NWDGAFQWSA-N 3 2 263.345 -0.794 20 0 CBADLP Cn1c[nH+]cc1CC[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000603429683 355715284 /nfs/dbraw/zinc/71/52/84/355715284.db2.gz OVOURYUTMSWZRP-NWDGAFQWSA-N 3 2 263.345 -0.794 20 0 CBADLP Cn1c[nH+]cc1CCN1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000603429683 355715285 /nfs/dbraw/zinc/71/52/85/355715285.db2.gz OVOURYUTMSWZRP-NWDGAFQWSA-N 2 2 263.345 -0.794 20 0 CBADLP Cn1cncc1CC[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000603429683 355715287 /nfs/dbraw/zinc/71/52/87/355715287.db2.gz OVOURYUTMSWZRP-NWDGAFQWSA-N 2 2 263.345 -0.794 20 0 CBADLP Cn1cncc1CC[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000603429683 355715290 /nfs/dbraw/zinc/71/52/90/355715290.db2.gz OVOURYUTMSWZRP-NWDGAFQWSA-N 2 2 263.345 -0.794 20 0 CBADLP c1c[nH+]c(CN2CC[NH+](C[C@H]3COCCO3)CC2)[nH]1 ZINC000603497223 355717965 /nfs/dbraw/zinc/71/79/65/355717965.db2.gz POTOGEJDFUGSHB-LBPRGKRZSA-N 2 2 266.345 -0.057 20 0 CBADLP CCN(C#N)CC[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000602801019 355673023 /nfs/dbraw/zinc/67/30/23/355673023.db2.gz YOTBJJGFHRGBSP-UHFFFAOYSA-N 2 2 296.415 -0.052 20 0 CBADLP CNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609157385 355766180 /nfs/dbraw/zinc/76/61/80/355766180.db2.gz HQFPONOMIPYVOJ-SNVBAGLBSA-N 2 2 265.317 -0.024 20 0 CBADLP CNC(=O)NC(=O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609157385 355766185 /nfs/dbraw/zinc/76/61/85/355766185.db2.gz HQFPONOMIPYVOJ-SNVBAGLBSA-N 2 2 265.317 -0.024 20 0 CBADLP C[C@H](CO)NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000604208186 355723410 /nfs/dbraw/zinc/72/34/10/355723410.db2.gz HQOGRUDNFJOYJZ-VXGBXAGGSA-N 2 2 284.404 -0.165 20 0 CBADLP C[C@H](CO)NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000604208186 355723413 /nfs/dbraw/zinc/72/34/13/355723413.db2.gz HQOGRUDNFJOYJZ-VXGBXAGGSA-N 2 2 284.404 -0.165 20 0 CBADLP C[C@@H](CO)NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000604208184 355723453 /nfs/dbraw/zinc/72/34/53/355723453.db2.gz HQOGRUDNFJOYJZ-RYUDHWBXSA-N 2 2 284.404 -0.165 20 0 CBADLP C[C@@H](CO)NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000604208184 355723455 /nfs/dbraw/zinc/72/34/55/355723455.db2.gz HQOGRUDNFJOYJZ-RYUDHWBXSA-N 2 2 284.404 -0.165 20 0 CBADLP c1n[nH]cc1C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000604418017 355725368 /nfs/dbraw/zinc/72/53/68/355725368.db2.gz CISXPHWOGNCRIK-AWEZNQCLSA-N 2 2 279.388 -0.094 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000612877179 355853935 /nfs/dbraw/zinc/85/39/35/355853935.db2.gz WPXAVDJXGCFFPL-WCQYABFASA-N 2 2 270.377 -0.242 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000612877179 355853938 /nfs/dbraw/zinc/85/39/38/355853938.db2.gz WPXAVDJXGCFFPL-WCQYABFASA-N 2 2 270.377 -0.242 20 0 CBADLP CN1CC[N@H+](C)[C@@H](CNC(=O)N[C@]2(C)CC[NH2+]C2)C1 ZINC000612881188 355854953 /nfs/dbraw/zinc/85/49/53/355854953.db2.gz ZCWFOJLJXKIHHK-WCQYABFASA-N 2 2 269.393 -0.717 20 0 CBADLP CN1CC[N@@H+](C)[C@@H](CNC(=O)N[C@]2(C)CC[NH2+]C2)C1 ZINC000612881188 355854957 /nfs/dbraw/zinc/85/49/57/355854957.db2.gz ZCWFOJLJXKIHHK-WCQYABFASA-N 2 2 269.393 -0.717 20 0 CBADLP C[C@]1(NC(=O)NCC2([NH+]3CCOCC3)CC2)CC[NH2+]C1 ZINC000612904763 355856027 /nfs/dbraw/zinc/85/60/27/355856027.db2.gz USSLVSJJNRLORJ-ZDUSSCGKSA-N 2 2 282.388 -0.098 20 0 CBADLP C[NH+](C)C1(C(=O)N2CC[NH+](C(C)(C)CO)CC2)CC1 ZINC000613036579 355862969 /nfs/dbraw/zinc/86/29/69/355862969.db2.gz ILQKLJVOAWHBSH-UHFFFAOYSA-N 2 2 269.389 -0.004 20 0 CBADLP C(=C\C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)\C[NH+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000613996125 355926646 /nfs/dbraw/zinc/92/66/46/355926646.db2.gz PWEDYBAZADZXAJ-UYRVCGCOSA-N 4 2 276.428 -0.155 20 0 CBADLP C(=C\C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)\C[NH+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000613996125 355926648 /nfs/dbraw/zinc/92/66/48/355926648.db2.gz PWEDYBAZADZXAJ-UYRVCGCOSA-N 4 2 276.428 -0.155 20 0 CBADLP CN(Cc1cnn(C)c1)C(=O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000613996739 355926864 /nfs/dbraw/zinc/92/68/64/355926864.db2.gz SICVYUYCMFGNCB-CHWSQXEVSA-N 2 2 277.372 -0.470 20 0 CBADLP C[NH+](C)C[C@H](CO)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000614845269 355988412 /nfs/dbraw/zinc/98/84/12/355988412.db2.gz BCJKZBCDVYKUTP-GHMZBOCLSA-N 2 2 266.345 -0.516 20 0 CBADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CO)C[NH+](C)C ZINC000614859443 355995528 /nfs/dbraw/zinc/99/55/28/355995528.db2.gz ZIIFRVWGCSYXRS-MWLCHTKSSA-N 2 2 254.334 -0.373 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CO)C[NH+](C)C ZINC000614859443 355995530 /nfs/dbraw/zinc/99/55/30/355995530.db2.gz ZIIFRVWGCSYXRS-MWLCHTKSSA-N 2 2 254.334 -0.373 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2C[NH+]3CCN2CCC3)C1 ZINC000614507060 355965914 /nfs/dbraw/zinc/96/59/14/355965914.db2.gz LOTVDJJOYDCECI-UONOGXRCSA-N 2 2 296.415 -0.787 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2C[NH+]3CCN2CCC3)C1 ZINC000614507060 355965915 /nfs/dbraw/zinc/96/59/15/355965915.db2.gz LOTVDJJOYDCECI-UONOGXRCSA-N 2 2 296.415 -0.787 20 0 CBADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000614507060 355965916 /nfs/dbraw/zinc/96/59/16/355965916.db2.gz LOTVDJJOYDCECI-UONOGXRCSA-N 2 2 296.415 -0.787 20 0 CBADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)C1 ZINC000614507060 355965917 /nfs/dbraw/zinc/96/59/17/355965917.db2.gz LOTVDJJOYDCECI-UONOGXRCSA-N 2 2 296.415 -0.787 20 0 CBADLP C[C@H](C(=O)N1CC(C[NH+](C)C)C1)[NH+]1CCN(C)CC1 ZINC000615510802 356037405 /nfs/dbraw/zinc/03/74/05/356037405.db2.gz XKPYHKPIIDXANS-GFCCVEGCSA-N 2 2 268.405 -0.358 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000615544764 356038873 /nfs/dbraw/zinc/03/88/73/356038873.db2.gz CCEKHQJRQVAROY-ZIAGYGMSSA-N 2 2 297.399 -0.360 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000615544764 356038875 /nfs/dbraw/zinc/03/88/75/356038875.db2.gz CCEKHQJRQVAROY-ZIAGYGMSSA-N 2 2 297.399 -0.360 20 0 CBADLP C[NH+](C)CC(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000615553759 356039014 /nfs/dbraw/zinc/03/90/14/356039014.db2.gz UBVQACMEUGLEBD-LBPRGKRZSA-N 2 2 255.362 -0.129 20 0 CBADLP C[NH+](C)C1(C(=O)N2CC(C[NH+]3CCOCC3)C2)CC1 ZINC000615149280 356012179 /nfs/dbraw/zinc/01/21/79/356012179.db2.gz YBHQRJCXABMZFX-UHFFFAOYSA-N 2 2 267.373 -0.129 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000615309309 356020400 /nfs/dbraw/zinc/02/04/00/356020400.db2.gz SNXJRASEPVTTHP-STQMWFEESA-N 2 2 298.431 -0.006 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000615309309 356020401 /nfs/dbraw/zinc/02/04/01/356020401.db2.gz SNXJRASEPVTTHP-STQMWFEESA-N 2 2 298.431 -0.006 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C[C@H]1CC(=O)N1 ZINC000617762718 356155134 /nfs/dbraw/zinc/15/51/34/356155134.db2.gz XBRRKYGJEIFJRO-NSHDSACASA-N 2 2 270.377 -0.735 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C[C@H]1CC(=O)N1 ZINC000617762718 356155137 /nfs/dbraw/zinc/15/51/37/356155137.db2.gz XBRRKYGJEIFJRO-NSHDSACASA-N 2 2 270.377 -0.735 20 0 CBADLP CNC(=O)NCCC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617763377 356155775 /nfs/dbraw/zinc/15/57/75/356155775.db2.gz OTYQCWUUMRDJOD-UHFFFAOYSA-N 2 2 287.408 -0.695 20 0 CBADLP CNC(=O)NCCC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617763377 356155778 /nfs/dbraw/zinc/15/57/78/356155778.db2.gz OTYQCWUUMRDJOD-UHFFFAOYSA-N 2 2 287.408 -0.695 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617764816 356155809 /nfs/dbraw/zinc/15/58/09/356155809.db2.gz ICJYBSVWPPOGLD-UHFFFAOYSA-N 3 2 281.404 -0.038 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617764816 356155813 /nfs/dbraw/zinc/15/58/13/356155813.db2.gz ICJYBSVWPPOGLD-UHFFFAOYSA-N 3 2 281.404 -0.038 20 0 CBADLP Cn1cncc1CC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617764816 356155816 /nfs/dbraw/zinc/15/58/16/356155816.db2.gz ICJYBSVWPPOGLD-UHFFFAOYSA-N 2 2 281.404 -0.038 20 0 CBADLP Cn1cncc1CC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617764816 356155820 /nfs/dbraw/zinc/15/58/20/356155820.db2.gz ICJYBSVWPPOGLD-UHFFFAOYSA-N 2 2 281.404 -0.038 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)NCC(F)F ZINC000617765195 356155875 /nfs/dbraw/zinc/15/58/75/356155875.db2.gz WXEABLOGTPOIGA-UHFFFAOYSA-N 2 2 294.346 -0.633 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)NCC(F)F ZINC000617765195 356155876 /nfs/dbraw/zinc/15/58/76/356155876.db2.gz WXEABLOGTPOIGA-UHFFFAOYSA-N 2 2 294.346 -0.633 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H](O)C1CC1 ZINC000617763904 356155949 /nfs/dbraw/zinc/15/59/49/356155949.db2.gz AWNXCYMSKPFJSU-LBPRGKRZSA-N 2 2 257.378 -0.243 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H](O)C1CC1 ZINC000617763904 356155950 /nfs/dbraw/zinc/15/59/50/356155950.db2.gz AWNXCYMSKPFJSU-LBPRGKRZSA-N 2 2 257.378 -0.243 20 0 CBADLP CC(=O)NC(C)(C)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617767059 356156792 /nfs/dbraw/zinc/15/67/92/356156792.db2.gz FGZAUONJKPTSQY-UHFFFAOYSA-N 2 2 286.420 -0.099 20 0 CBADLP CC(=O)NC(C)(C)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617767059 356156796 /nfs/dbraw/zinc/15/67/96/356156796.db2.gz FGZAUONJKPTSQY-UHFFFAOYSA-N 2 2 286.420 -0.099 20 0 CBADLP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)Cc1c[nH+]cn1C ZINC000618307695 356186502 /nfs/dbraw/zinc/18/65/02/356186502.db2.gz PKNFGDMFVZYTBA-UHFFFAOYSA-N 2 2 295.387 -0.559 20 0 CBADLP CNS(=O)(=O)CC[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000621261636 356261253 /nfs/dbraw/zinc/26/12/53/356261253.db2.gz YBPRCAKYEHCELR-MNOVXSKESA-N 2 2 263.407 -0.050 20 0 CBADLP CNS(=O)(=O)CC[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000621261636 356261255 /nfs/dbraw/zinc/26/12/55/356261255.db2.gz YBPRCAKYEHCELR-MNOVXSKESA-N 2 2 263.407 -0.050 20 0 CBADLP CNS(=O)(=O)CC[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000621261636 356261259 /nfs/dbraw/zinc/26/12/59/356261259.db2.gz YBPRCAKYEHCELR-MNOVXSKESA-N 2 2 263.407 -0.050 20 0 CBADLP CNS(=O)(=O)CC[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000621261636 356261262 /nfs/dbraw/zinc/26/12/62/356261262.db2.gz YBPRCAKYEHCELR-MNOVXSKESA-N 2 2 263.407 -0.050 20 0 CBADLP CNS(=O)(=O)CC[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000621259250 356261449 /nfs/dbraw/zinc/26/14/49/356261449.db2.gz PICBVEQCPOLTKN-LLVKDONJSA-N 2 2 263.407 -0.191 20 0 CBADLP CNS(=O)(=O)CC[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000621259250 356261450 /nfs/dbraw/zinc/26/14/50/356261450.db2.gz PICBVEQCPOLTKN-LLVKDONJSA-N 2 2 263.407 -0.191 20 0 CBADLP CNS(=O)(=O)CC[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000621259250 356261452 /nfs/dbraw/zinc/26/14/52/356261452.db2.gz PICBVEQCPOLTKN-LLVKDONJSA-N 2 2 263.407 -0.191 20 0 CBADLP CNS(=O)(=O)CC[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000621259250 356261453 /nfs/dbraw/zinc/26/14/53/356261453.db2.gz PICBVEQCPOLTKN-LLVKDONJSA-N 2 2 263.407 -0.191 20 0 CBADLP C[N@@H+]1CCN(C(=O)CC[C@@H]2CCC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000621624747 356278148 /nfs/dbraw/zinc/27/81/48/356278148.db2.gz WASYUAJZYYOIEN-QWHCGFSZSA-N 3 2 268.405 -0.133 20 0 CBADLP C[N@H+]1CCN(C(=O)CC[C@@H]2CCC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000621624747 356278154 /nfs/dbraw/zinc/27/81/54/356278154.db2.gz WASYUAJZYYOIEN-QWHCGFSZSA-N 3 2 268.405 -0.133 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621682287 356280429 /nfs/dbraw/zinc/28/04/29/356280429.db2.gz CNLLWUCILZICFN-WFASDCNBSA-N 2 2 296.415 -0.217 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621682287 356280432 /nfs/dbraw/zinc/28/04/32/356280432.db2.gz CNLLWUCILZICFN-WFASDCNBSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@@H](NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)c1[nH+]ccn1C ZINC000620603366 356246349 /nfs/dbraw/zinc/24/63/49/356246349.db2.gz HCNBJJWPEUZOCS-NEPJUHHUSA-N 2 2 277.372 -0.013 20 0 CBADLP C[C@@H](NC(=O)[C@@H]1C[N@H+]2CCN1CCC2)c1[nH+]ccn1C ZINC000620603366 356246352 /nfs/dbraw/zinc/24/63/52/356246352.db2.gz HCNBJJWPEUZOCS-NEPJUHHUSA-N 2 2 277.372 -0.013 20 0 CBADLP [NH3+][C@@]12CCC[C@H]1C[N@H+](CCC(=O)N1CC[NH2+]CC1)C2 ZINC000621784306 356284402 /nfs/dbraw/zinc/28/44/02/356284402.db2.gz MTNPEGMWXYHPTC-GXTWGEPZSA-N 3 2 266.389 -0.379 20 0 CBADLP [NH3+][C@@]12CCC[C@H]1C[N@@H+](CCC(=O)N1CC[NH2+]CC1)C2 ZINC000621784306 356284403 /nfs/dbraw/zinc/28/44/03/356284403.db2.gz MTNPEGMWXYHPTC-GXTWGEPZSA-N 3 2 266.389 -0.379 20 0 CBADLP Cn1cc[nH+]c1CNC(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621843559 356289024 /nfs/dbraw/zinc/28/90/24/356289024.db2.gz HPQGTXKEDQLOOT-IINYFYTJSA-N 2 2 291.355 -0.624 20 0 CBADLP Cn1cc(C[N@@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)c(=O)n(C)c1=O ZINC000622004008 356298998 /nfs/dbraw/zinc/29/89/98/356298998.db2.gz ISMPMEJPGPLKGU-FZMZJTMJSA-N 2 2 278.356 -0.603 20 0 CBADLP Cn1cc(C[N@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)c(=O)n(C)c1=O ZINC000622004008 356298999 /nfs/dbraw/zinc/29/89/99/356298999.db2.gz ISMPMEJPGPLKGU-FZMZJTMJSA-N 2 2 278.356 -0.603 20 0 CBADLP CN(Cc1c[nH+]c[nH]1)C(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000622030873 356301916 /nfs/dbraw/zinc/30/19/16/356301916.db2.gz CLZZFCHKZCEZBY-IINYFYTJSA-N 2 2 291.355 -0.292 20 0 CBADLP CN(Cc1c[nH]c[nH+]1)C(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000622030873 356301917 /nfs/dbraw/zinc/30/19/17/356301917.db2.gz CLZZFCHKZCEZBY-IINYFYTJSA-N 2 2 291.355 -0.292 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000622631088 356328096 /nfs/dbraw/zinc/32/80/96/356328096.db2.gz FYIOHFDBKPLRPB-GFCCVEGCSA-N 2 2 280.372 -0.074 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000622631088 356328101 /nfs/dbraw/zinc/32/81/01/356328101.db2.gz FYIOHFDBKPLRPB-GFCCVEGCSA-N 2 2 280.372 -0.074 20 0 CBADLP COCCn1cc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cn1 ZINC000623066228 356353093 /nfs/dbraw/zinc/35/30/93/356353093.db2.gz BVPWIGRVBDKHMD-LBPRGKRZSA-N 2 2 296.375 -0.364 20 0 CBADLP COCCn1cc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cn1 ZINC000623066228 356353097 /nfs/dbraw/zinc/35/30/97/356353097.db2.gz BVPWIGRVBDKHMD-LBPRGKRZSA-N 2 2 296.375 -0.364 20 0 CBADLP CN(CCN1CC[NH2+]CC1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000623176374 356356691 /nfs/dbraw/zinc/35/66/91/356356691.db2.gz XSBFIKSOJKODSU-CYBMUJFWSA-N 2 2 291.399 -0.191 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000623264834 356358555 /nfs/dbraw/zinc/35/85/55/356358555.db2.gz VHMYVXYEXFQFOJ-CMPLNLGQSA-N 2 2 264.329 -0.355 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000623264834 356358556 /nfs/dbraw/zinc/35/85/56/356358556.db2.gz VHMYVXYEXFQFOJ-CMPLNLGQSA-N 2 2 264.329 -0.355 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623263325 356358559 /nfs/dbraw/zinc/35/85/59/356358559.db2.gz IXIRHINIGUBDFG-VXGBXAGGSA-N 2 2 278.356 -0.108 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000623306260 356360962 /nfs/dbraw/zinc/36/09/62/356360962.db2.gz JNGAHDPZOULOBE-JQWIXIFHSA-N 2 2 264.329 -0.355 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000623306260 356360965 /nfs/dbraw/zinc/36/09/65/356360965.db2.gz JNGAHDPZOULOBE-JQWIXIFHSA-N 2 2 264.329 -0.355 20 0 CBADLP C[NH+]1CCOC[C@@H]1CNC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000623721883 356373068 /nfs/dbraw/zinc/37/30/68/356373068.db2.gz UTQRFNZLUARHGG-STQMWFEESA-N 2 2 284.404 -0.042 20 0 CBADLP C[NH+]1CCOC[C@@H]1CNC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000623721883 356373069 /nfs/dbraw/zinc/37/30/69/356373069.db2.gz UTQRFNZLUARHGG-STQMWFEESA-N 2 2 284.404 -0.042 20 0 CBADLP C[NH+]1CCC[C@@H](CNC(=O)NC[C@H]2COCC[N@@H+]2C)C1 ZINC000623721883 356373072 /nfs/dbraw/zinc/37/30/72/356373072.db2.gz UTQRFNZLUARHGG-STQMWFEESA-N 2 2 284.404 -0.042 20 0 CBADLP C[NH+]1CCC[C@@H](CNC(=O)NC[C@H]2COCC[N@H+]2C)C1 ZINC000623721883 356373075 /nfs/dbraw/zinc/37/30/75/356373075.db2.gz UTQRFNZLUARHGG-STQMWFEESA-N 2 2 284.404 -0.042 20 0 CBADLP NC(=O)c1ccc(C[NH2+]CC[N@@H+]2CC[C@H](O)C2)cc1 ZINC000623836828 356377802 /nfs/dbraw/zinc/37/78/02/356377802.db2.gz LDEDURXQWWVMPF-ZDUSSCGKSA-N 2 2 263.341 -0.058 20 0 CBADLP NC(=O)c1ccc(C[NH2+]CC[N@H+]2CC[C@H](O)C2)cc1 ZINC000623836828 356377805 /nfs/dbraw/zinc/37/78/05/356377805.db2.gz LDEDURXQWWVMPF-ZDUSSCGKSA-N 2 2 263.341 -0.058 20 0 CBADLP CC(C)[C@H]1C[N@H+](C)CCN1c1nc(N)[nH+]c(N)n1 ZINC000623986362 356387274 /nfs/dbraw/zinc/38/72/74/356387274.db2.gz UNGGTFXEFANGGW-MRVPVSSYSA-N 2 2 251.338 -0.527 20 0 CBADLP CC(C)[C@H]1C[N@@H+](C)CCN1c1nc(N)[nH+]c(N)n1 ZINC000623986362 356387280 /nfs/dbraw/zinc/38/72/80/356387280.db2.gz UNGGTFXEFANGGW-MRVPVSSYSA-N 2 2 251.338 -0.527 20 0 CBADLP C[N@@H+]1CCC[C@@H]2CN(c3nc(N)nc(N)[nH+]3)CC[C@@H]21 ZINC000624041340 356391602 /nfs/dbraw/zinc/39/16/02/356391602.db2.gz QVLGEOHPLKISNG-BDAKNGLRSA-N 2 2 263.349 -0.383 20 0 CBADLP C[N@H+]1CCC[C@@H]2CN(c3nc(N)nc(N)[nH+]3)CC[C@@H]21 ZINC000624041340 356391604 /nfs/dbraw/zinc/39/16/04/356391604.db2.gz QVLGEOHPLKISNG-BDAKNGLRSA-N 2 2 263.349 -0.383 20 0 CBADLP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cn(CC(N)=O)nn2)C1 ZINC000623656767 356370365 /nfs/dbraw/zinc/37/03/65/356370365.db2.gz BJDWSYPQLKCVPH-NSHDSACASA-N 2 2 280.376 -0.415 20 0 CBADLP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cn(CC(N)=O)nn2)C1 ZINC000623656767 356370367 /nfs/dbraw/zinc/37/03/67/356370367.db2.gz BJDWSYPQLKCVPH-NSHDSACASA-N 2 2 280.376 -0.415 20 0 CBADLP Nc1nc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)nc(N)[nH+]1 ZINC000624187108 356402999 /nfs/dbraw/zinc/40/29/99/356402999.db2.gz MZMHSWHJJOCKHA-JTQLQIEISA-N 2 2 293.375 -0.755 20 0 CBADLP C[C@@H]1C[C@H]([NH2+]C2CN(S(=O)(=O)N(C)C)C2)CC[N@@H+]1C ZINC000624283145 356409275 /nfs/dbraw/zinc/40/92/75/356409275.db2.gz FZUYNWWPSROICF-GHMZBOCLSA-N 2 2 290.433 -0.451 20 0 CBADLP C[C@@H]1C[C@H]([NH2+]C2CN(S(=O)(=O)N(C)C)C2)CC[N@H+]1C ZINC000624283145 356409279 /nfs/dbraw/zinc/40/92/79/356409279.db2.gz FZUYNWWPSROICF-GHMZBOCLSA-N 2 2 290.433 -0.451 20 0 CBADLP C[C@H]1C[C@H]([NH2+]C2CN(S(=O)(=O)N(C)C)C2)CC[N@@H+]1C ZINC000624283148 356409847 /nfs/dbraw/zinc/40/98/47/356409847.db2.gz FZUYNWWPSROICF-WDEREUQCSA-N 2 2 290.433 -0.451 20 0 CBADLP C[C@H]1C[C@H]([NH2+]C2CN(S(=O)(=O)N(C)C)C2)CC[N@H+]1C ZINC000624283148 356409849 /nfs/dbraw/zinc/40/98/49/356409849.db2.gz FZUYNWWPSROICF-WDEREUQCSA-N 2 2 290.433 -0.451 20 0 CBADLP C[C@H](NC(=O)[C@]1(F)CC[NH2+]C1)[C@H](C)[NH+]1CCOCC1 ZINC000378209088 299242096 /nfs/dbraw/zinc/24/20/96/299242096.db2.gz XEMMFZFLDJLAPW-GVXVVHGQSA-N 2 2 273.352 -0.087 20 0 CBADLP C[NH+]1CCN(C(=O)CN2CCc3[nH+]c[nH]c3C2)CC1 ZINC000625438803 356465631 /nfs/dbraw/zinc/46/56/31/356465631.db2.gz YOUQHNXPBSFZJW-UHFFFAOYSA-N 2 2 263.345 -0.458 20 0 CBADLP O=C1CCC(=O)N1CC[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000625547267 356474207 /nfs/dbraw/zinc/47/42/07/356474207.db2.gz JZLUIMNRIKYKSS-UHFFFAOYSA-N 2 2 295.383 -0.068 20 0 CBADLP C[N@@H+]1CCN(C(=O)Nc2cnn(CCF)c2)[C@H](C[NH3+])C1 ZINC000625923213 356497407 /nfs/dbraw/zinc/49/74/07/356497407.db2.gz BSFHDRWSHRSTQX-LLVKDONJSA-N 2 2 284.339 -0.041 20 0 CBADLP C[N@H+]1CCN(C(=O)Nc2cnn(CCF)c2)[C@H](C[NH3+])C1 ZINC000625923213 356497411 /nfs/dbraw/zinc/49/74/11/356497411.db2.gz BSFHDRWSHRSTQX-LLVKDONJSA-N 2 2 284.339 -0.041 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000626027132 356500984 /nfs/dbraw/zinc/50/09/84/356500984.db2.gz MJTYJFUMNVWESP-ZDUSSCGKSA-N 2 2 296.371 -0.657 20 0 CBADLP CC[NH+](CC)CCC[NH+]1CCC(NS(N)(=O)=O)CC1 ZINC000626035288 356502355 /nfs/dbraw/zinc/50/23/55/356502355.db2.gz JUQUKWJWSCCWRW-UHFFFAOYSA-N 2 2 292.449 -0.024 20 0 CBADLP O=C(NCCn1cc[nH+]c1)NC[C@@H]1COCC[NH2+]1 ZINC000626923355 356555894 /nfs/dbraw/zinc/55/58/94/356555894.db2.gz RCLQHBRUPKVHNF-SNVBAGLBSA-N 2 2 253.306 -0.829 20 0 CBADLP CCN(CC[NH3+])C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000626935108 356557233 /nfs/dbraw/zinc/55/72/33/356557233.db2.gz XLXZVUDRVBGFNA-NSHDSACASA-N 2 2 258.366 -0.303 20 0 CBADLP O=C(NCCCCn1cc[nH+]c1)NC[C@H]1COCC[NH2+]1 ZINC000626945452 356559293 /nfs/dbraw/zinc/55/92/93/356559293.db2.gz JDDLINJRQZADDE-LBPRGKRZSA-N 2 2 281.360 -0.049 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N[C@@H]1CC[NH2+]C1 ZINC000626969753 356560948 /nfs/dbraw/zinc/56/09/48/356560948.db2.gz FNKBVGGELDRDQH-WDEREUQCSA-N 2 2 256.350 -0.632 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)N[C@@H]1CC[NH2+]C1 ZINC000626969753 356560952 /nfs/dbraw/zinc/56/09/52/356560952.db2.gz FNKBVGGELDRDQH-WDEREUQCSA-N 2 2 256.350 -0.632 20 0 CBADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000626974091 356561682 /nfs/dbraw/zinc/56/16/82/356561682.db2.gz DBHXKNCKVBZAQL-QJPTWQEYSA-N 2 2 269.393 -0.718 20 0 CBADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000626974091 356561685 /nfs/dbraw/zinc/56/16/85/356561685.db2.gz DBHXKNCKVBZAQL-QJPTWQEYSA-N 2 2 269.393 -0.718 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000627065762 356571737 /nfs/dbraw/zinc/57/17/37/356571737.db2.gz JZTWYPRQGIXVJY-NEPJUHHUSA-N 2 2 270.377 -0.242 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000627065762 356571741 /nfs/dbraw/zinc/57/17/41/356571741.db2.gz JZTWYPRQGIXVJY-NEPJUHHUSA-N 2 2 270.377 -0.242 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)NCC1CC[NH2+]CC1 ZINC000627067260 356572301 /nfs/dbraw/zinc/57/23/01/356572301.db2.gz APASHNDVFGGCKL-LBPRGKRZSA-N 2 2 270.377 -0.384 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)NCC1CC[NH2+]CC1 ZINC000627067260 356572306 /nfs/dbraw/zinc/57/23/06/356572306.db2.gz APASHNDVFGGCKL-LBPRGKRZSA-N 2 2 270.377 -0.384 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000627073133 356573712 /nfs/dbraw/zinc/57/37/12/356573712.db2.gz KUUNYQYZFFACIE-NEPJUHHUSA-N 2 2 270.377 -0.384 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000627073133 356573715 /nfs/dbraw/zinc/57/37/15/356573715.db2.gz KUUNYQYZFFACIE-NEPJUHHUSA-N 2 2 270.377 -0.384 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000627086459 356579058 /nfs/dbraw/zinc/57/90/58/356579058.db2.gz ANUOXEKPSPHAGT-TUAOUCFPSA-N 2 2 270.377 -0.114 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000627086459 356579062 /nfs/dbraw/zinc/57/90/62/356579062.db2.gz ANUOXEKPSPHAGT-TUAOUCFPSA-N 2 2 270.377 -0.114 20 0 CBADLP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2COCC[N@@H+]2C)CC[NH2+]1 ZINC000627089885 356581766 /nfs/dbraw/zinc/58/17/66/356581766.db2.gz PXDDZKGDGLTNSJ-IJLUTSLNSA-N 2 2 270.377 -0.243 20 0 CBADLP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2COCC[N@H+]2C)CC[NH2+]1 ZINC000627089885 356581769 /nfs/dbraw/zinc/58/17/69/356581769.db2.gz PXDDZKGDGLTNSJ-IJLUTSLNSA-N 2 2 270.377 -0.243 20 0 CBADLP C[C@H](NC(=O)NC[C@H]1COCC[NH2+]1)c1[nH+]ccn1C ZINC000627116942 356586024 /nfs/dbraw/zinc/58/60/24/356586024.db2.gz BMWWKOGECHWIPV-UWVGGRQHSA-N 2 2 267.333 -0.231 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000627118878 356586777 /nfs/dbraw/zinc/58/67/77/356586777.db2.gz CWOZFMXULHJMJJ-RYUDHWBXSA-N 2 2 282.388 -0.242 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000627118878 356586782 /nfs/dbraw/zinc/58/67/82/356586782.db2.gz CWOZFMXULHJMJJ-RYUDHWBXSA-N 2 2 282.388 -0.242 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627248435 356611803 /nfs/dbraw/zinc/61/18/03/356611803.db2.gz HUTBEZWEDGOEFT-LLVKDONJSA-N 2 2 256.350 -0.678 20 0 CBADLP CC(C)[C@H]1C[NH2+]CCN1C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000627182742 356596040 /nfs/dbraw/zinc/59/60/40/356596040.db2.gz JUXJEZGVSQMFEB-QWHCGFSZSA-N 2 2 284.404 -0.044 20 0 CBADLP CC(C)[C@H]1C[NH2+]CCN1C(=O)NC[C@H]1COCC[N@H+]1C ZINC000627182742 356596046 /nfs/dbraw/zinc/59/60/46/356596046.db2.gz JUXJEZGVSQMFEB-QWHCGFSZSA-N 2 2 284.404 -0.044 20 0 CBADLP C[C@@H]1CC[C@@H](NC(=O)NC[C@@H]2COCC[N@@H+]2C)C[NH2+]1 ZINC000627183622 356596253 /nfs/dbraw/zinc/59/62/53/356596253.db2.gz WLGJSYIYDNZZIC-IJLUTSLNSA-N 2 2 270.377 -0.243 20 0 CBADLP C[C@@H]1CC[C@@H](NC(=O)NC[C@@H]2COCC[N@H+]2C)C[NH2+]1 ZINC000627183622 356596257 /nfs/dbraw/zinc/59/62/57/356596257.db2.gz WLGJSYIYDNZZIC-IJLUTSLNSA-N 2 2 270.377 -0.243 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000627183238 356596477 /nfs/dbraw/zinc/59/64/77/356596477.db2.gz INFNBPSGUBPQFD-DGCLKSJQSA-N 2 2 270.377 -0.303 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000627183238 356596480 /nfs/dbraw/zinc/59/64/80/356596480.db2.gz INFNBPSGUBPQFD-DGCLKSJQSA-N 2 2 270.377 -0.303 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000627183860 356596701 /nfs/dbraw/zinc/59/67/01/356596701.db2.gz OMPDQYFPBWONFX-MNOVXSKESA-N 2 2 256.350 -0.550 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000627183860 356596703 /nfs/dbraw/zinc/59/67/03/356596703.db2.gz OMPDQYFPBWONFX-MNOVXSKESA-N 2 2 256.350 -0.550 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)N1CCC([NH3+])CC1 ZINC000627183499 356596713 /nfs/dbraw/zinc/59/67/13/356596713.db2.gz LFCUTRVUTBMPSS-LLVKDONJSA-N 2 2 256.350 -0.550 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)N1CCC([NH3+])CC1 ZINC000627183499 356596714 /nfs/dbraw/zinc/59/67/14/356596714.db2.gz LFCUTRVUTBMPSS-LLVKDONJSA-N 2 2 256.350 -0.550 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)N1CC[C@@H](C[NH3+])C1 ZINC000627183772 356596747 /nfs/dbraw/zinc/59/67/47/356596747.db2.gz MUBOXZKNSAHFMY-WDEREUQCSA-N 2 2 256.350 -0.693 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)N1CC[C@@H](C[NH3+])C1 ZINC000627183772 356596749 /nfs/dbraw/zinc/59/67/49/356596749.db2.gz MUBOXZKNSAHFMY-WDEREUQCSA-N 2 2 256.350 -0.693 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)N1CC2CC1(C[NH3+])C2 ZINC000627183578 356596754 /nfs/dbraw/zinc/59/67/54/356596754.db2.gz UOKCPEIHPUAWLF-QWKFWESOSA-N 2 2 268.361 -0.550 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)N1CC2CC1(C[NH3+])C2 ZINC000627183578 356596755 /nfs/dbraw/zinc/59/67/55/356596755.db2.gz UOKCPEIHPUAWLF-QWKFWESOSA-N 2 2 268.361 -0.550 20 0 CBADLP C[NH2+][C@@H]1CCN(C(=O)NC[C@@H]2COCC[N@@H+]2C)C1 ZINC000627184064 356597772 /nfs/dbraw/zinc/59/77/72/356597772.db2.gz RGYQZSSKEYVHHV-GHMZBOCLSA-N 2 2 256.350 -0.680 20 0 CBADLP C[NH2+][C@@H]1CCN(C(=O)NC[C@@H]2COCC[N@H+]2C)C1 ZINC000627184064 356597774 /nfs/dbraw/zinc/59/77/74/356597774.db2.gz RGYQZSSKEYVHHV-GHMZBOCLSA-N 2 2 256.350 -0.680 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000627183957 356597823 /nfs/dbraw/zinc/59/78/23/356597823.db2.gz PRFHZGHBWWKAPQ-TUAOUCFPSA-N 2 2 268.361 -0.822 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000627183957 356597826 /nfs/dbraw/zinc/59/78/26/356597826.db2.gz PRFHZGHBWWKAPQ-TUAOUCFPSA-N 2 2 268.361 -0.822 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000627184209 356597877 /nfs/dbraw/zinc/59/78/77/356597877.db2.gz UHXKEHWBRAWSIJ-FRRDWIJNSA-N 2 2 282.388 -0.290 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000627184209 356597880 /nfs/dbraw/zinc/59/78/80/356597880.db2.gz UHXKEHWBRAWSIJ-FRRDWIJNSA-N 2 2 282.388 -0.290 20 0 CBADLP O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)NC[C@H]1COCC[NH2+]1 ZINC000627190421 356601024 /nfs/dbraw/zinc/60/10/24/356601024.db2.gz KINSFQYWWOEKNL-RWMBFGLXSA-N 2 2 298.387 -0.863 20 0 CBADLP O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)NC[C@H]1COCC[NH2+]1 ZINC000627190421 356601027 /nfs/dbraw/zinc/60/10/27/356601027.db2.gz KINSFQYWWOEKNL-RWMBFGLXSA-N 2 2 298.387 -0.863 20 0 CBADLP O=C(NC[C@H]1COCC[NH2+]1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000627191546 356602135 /nfs/dbraw/zinc/60/21/35/356602135.db2.gz SHOHIBGABWASIA-STQMWFEESA-N 2 2 298.387 -0.909 20 0 CBADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000627385553 356635866 /nfs/dbraw/zinc/63/58/66/356635866.db2.gz OJYOXJILYJMMLT-SDDRHHMPSA-N 2 2 293.371 -0.356 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627385863 356635976 /nfs/dbraw/zinc/63/59/76/356635976.db2.gz YZAHMDVZJSKIAB-IJLUTSLNSA-N 2 2 293.371 -0.356 20 0 CBADLP O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CCc2[nH+]c[nH]c2C1 ZINC000627370020 356634080 /nfs/dbraw/zinc/63/40/80/356634080.db2.gz KUKMVYDOXOUSKE-CYBMUJFWSA-N 2 2 275.356 -0.316 20 0 CBADLP O=C([C@H]1C[N@H+]2CCN1CCC2)N1CCc2[nH+]c[nH]c2C1 ZINC000627370020 356634083 /nfs/dbraw/zinc/63/40/83/356634083.db2.gz KUKMVYDOXOUSKE-CYBMUJFWSA-N 2 2 275.356 -0.316 20 0 CBADLP O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CCc2[nH]c[nH+]c2C1 ZINC000627370020 356634085 /nfs/dbraw/zinc/63/40/85/356634085.db2.gz KUKMVYDOXOUSKE-CYBMUJFWSA-N 2 2 275.356 -0.316 20 0 CBADLP O=C([C@H]1C[N@H+]2CCN1CCC2)N1CCc2[nH]c[nH+]c2C1 ZINC000627370020 356634088 /nfs/dbraw/zinc/63/40/88/356634088.db2.gz KUKMVYDOXOUSKE-CYBMUJFWSA-N 2 2 275.356 -0.316 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627385864 356636007 /nfs/dbraw/zinc/63/60/07/356636007.db2.gz YZAHMDVZJSKIAB-UTUOFQBUSA-N 2 2 293.371 -0.356 20 0 CBADLP C[C@H]1CC[C@@H](NC(=O)C(=O)NCCn2cc[nH+]c2)C[NH2+]1 ZINC000627299790 356622483 /nfs/dbraw/zinc/62/24/83/356622483.db2.gz FGYQPJCRZKLHGI-WDEREUQCSA-N 2 2 279.344 -0.744 20 0 CBADLP C[C@@H]1CC[C@@H](NC(=O)C(=O)NCCn2cc[nH+]c2)C[NH2+]1 ZINC000627299787 356622775 /nfs/dbraw/zinc/62/27/75/356622775.db2.gz FGYQPJCRZKLHGI-GHMZBOCLSA-N 2 2 279.344 -0.744 20 0 CBADLP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)NCc1[nH+]ccn1C ZINC000627379373 356636371 /nfs/dbraw/zinc/63/63/71/356636371.db2.gz KJHYCEPGRFWRML-LLVKDONJSA-N 2 2 293.371 -0.507 20 0 CBADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000627390865 356638058 /nfs/dbraw/zinc/63/80/58/356638058.db2.gz ZXDQVQUVAADQFP-NWDGAFQWSA-N 2 2 293.371 -0.354 20 0 CBADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000627500577 356658054 /nfs/dbraw/zinc/65/80/54/356658054.db2.gz GADBDHMAAYPBEE-NWDGAFQWSA-N 2 2 293.371 -0.402 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)NC2CC([NH+]3CCOCC3)C2)C1 ZINC000627934045 356680777 /nfs/dbraw/zinc/68/07/77/356680777.db2.gz MVZXXBLLNYVAEI-BPCQOVAHSA-N 2 2 283.372 -0.704 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)NC2CC([NH+]3CCOCC3)C2)C1 ZINC000627934045 356680778 /nfs/dbraw/zinc/68/07/78/356680778.db2.gz MVZXXBLLNYVAEI-BPCQOVAHSA-N 2 2 283.372 -0.704 20 0 CBADLP CC[N@H+](CC(=O)NC[C@@H]1COCC[NH+]1C)C1CC1 ZINC000628918355 356740467 /nfs/dbraw/zinc/74/04/67/356740467.db2.gz OJWARLHYUBOABR-GFCCVEGCSA-N 2 2 255.362 -0.083 20 0 CBADLP CC[N@@H+](CC(=O)NC[C@@H]1COCC[NH+]1C)C1CC1 ZINC000628918355 356740470 /nfs/dbraw/zinc/74/04/70/356740470.db2.gz OJWARLHYUBOABR-GFCCVEGCSA-N 2 2 255.362 -0.083 20 0 CBADLP CC[NH+](CC(=O)NC[C@@H]1COCC[N@@H+]1C)C1CC1 ZINC000628918355 356740471 /nfs/dbraw/zinc/74/04/71/356740471.db2.gz OJWARLHYUBOABR-GFCCVEGCSA-N 2 2 255.362 -0.083 20 0 CBADLP CC[NH+](CC(=O)NC[C@@H]1COCC[N@H+]1C)C1CC1 ZINC000628918355 356740474 /nfs/dbraw/zinc/74/04/74/356740474.db2.gz OJWARLHYUBOABR-GFCCVEGCSA-N 2 2 255.362 -0.083 20 0 CBADLP C[NH+]1CCC(C(=O)NC[C@H]2COCC[N@@H+]2C)CC1 ZINC000628920610 356741437 /nfs/dbraw/zinc/74/14/37/356741437.db2.gz ZPTFUBKOYHBDFA-LBPRGKRZSA-N 2 2 255.362 -0.225 20 0 CBADLP C[NH+]1CCC(C(=O)NC[C@H]2COCC[N@H+]2C)CC1 ZINC000628920610 356741440 /nfs/dbraw/zinc/74/14/40/356741440.db2.gz ZPTFUBKOYHBDFA-LBPRGKRZSA-N 2 2 255.362 -0.225 20 0 CBADLP C[NH+](C)CC(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000628577428 356713341 /nfs/dbraw/zinc/71/33/41/356713341.db2.gz PVLBZSHVTDSWHQ-AWEZNQCLSA-N 2 2 285.388 -0.720 20 0 CBADLP C[NH+](C)CC(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000628577428 356713345 /nfs/dbraw/zinc/71/33/45/356713345.db2.gz PVLBZSHVTDSWHQ-AWEZNQCLSA-N 2 2 285.388 -0.720 20 0 CBADLP C[NH2+]CCOCC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000629531266 356776805 /nfs/dbraw/zinc/77/68/05/356776805.db2.gz GBGDBDFFDYDGJO-CHWSQXEVSA-N 3 2 257.378 -0.421 20 0 CBADLP CS(=O)(=O)CC1(C[NH2+]C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000629567061 356781152 /nfs/dbraw/zinc/78/11/52/356781152.db2.gz VAUNJWJZKGMLTA-LBPRGKRZSA-N 2 2 290.429 -0.143 20 0 CBADLP O[C@@H]1CC[N@H+](CCN[C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000629544608 356778467 /nfs/dbraw/zinc/77/84/67/356778467.db2.gz JOJGZDXIFJEZNL-RDBSUJKOSA-N 2 2 269.389 -0.590 20 0 CBADLP O[C@@H]1CC[N@@H+](CCN[C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000629544608 356778472 /nfs/dbraw/zinc/77/84/72/356778472.db2.gz JOJGZDXIFJEZNL-RDBSUJKOSA-N 2 2 269.389 -0.590 20 0 CBADLP O[C@@H]1CCN(CC[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000629544608 356778477 /nfs/dbraw/zinc/77/84/77/356778477.db2.gz JOJGZDXIFJEZNL-RDBSUJKOSA-N 2 2 269.389 -0.590 20 0 CBADLP C[C@@H](C(=O)NCC[N@@H+]1CC[C@@H](O)C1)[NH+]1CCSCC1 ZINC000629172768 356752571 /nfs/dbraw/zinc/75/25/71/356752571.db2.gz GCQOXTVZRQNYIZ-NWDGAFQWSA-N 2 2 287.429 -0.394 20 0 CBADLP C[C@@H](C(=O)NCC[N@H+]1CC[C@@H](O)C1)[NH+]1CCSCC1 ZINC000629172768 356752574 /nfs/dbraw/zinc/75/25/74/356752574.db2.gz GCQOXTVZRQNYIZ-NWDGAFQWSA-N 2 2 287.429 -0.394 20 0 CBADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000629560367 356780001 /nfs/dbraw/zinc/78/00/01/356780001.db2.gz LUXRITSGVHPACX-HUUCEWRRSA-N 3 2 284.448 -0.331 20 0 CBADLP C[NH+](C)CC(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000629438303 356773127 /nfs/dbraw/zinc/77/31/27/356773127.db2.gz LBZJMCUHDAXAIV-CQSZACIVSA-N 2 2 292.383 -0.040 20 0 CBADLP C[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000629438303 356773129 /nfs/dbraw/zinc/77/31/29/356773129.db2.gz LBZJMCUHDAXAIV-CQSZACIVSA-N 2 2 292.383 -0.040 20 0 CBADLP CC(C)(C(=O)NCC[N@@H+]1CC[C@H](O)C1)[NH+]1CCOCC1 ZINC000629916157 356808292 /nfs/dbraw/zinc/80/82/92/356808292.db2.gz MDYQPGYSAOKYOU-LBPRGKRZSA-N 2 2 285.388 -0.720 20 0 CBADLP CC(C)(C(=O)NCC[N@H+]1CC[C@H](O)C1)[NH+]1CCOCC1 ZINC000629916157 356808293 /nfs/dbraw/zinc/80/82/93/356808293.db2.gz MDYQPGYSAOKYOU-LBPRGKRZSA-N 2 2 285.388 -0.720 20 0 CBADLP O=C1[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)CCCN1CCO ZINC000629584300 356783499 /nfs/dbraw/zinc/78/34/99/356783499.db2.gz ONQGJDAOOSWTNL-CHWSQXEVSA-N 2 2 285.388 -0.984 20 0 CBADLP OCCN1CCCC[C@H]1C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000629585037 356783943 /nfs/dbraw/zinc/78/39/43/356783943.db2.gz YKCIRKOJKCHCDY-LSDHHAIUSA-N 2 2 285.432 -0.121 20 0 CBADLP O=C1[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)CCCN1CCO ZINC000629584309 356784195 /nfs/dbraw/zinc/78/41/95/356784195.db2.gz ONQGJDAOOSWTNL-STQMWFEESA-N 2 2 285.388 -0.984 20 0 CBADLP CS(=O)(=O)NC[C@@H]1COCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000629586058 356784265 /nfs/dbraw/zinc/78/42/65/356784265.db2.gz JQVXYEZXFXXNLA-VXGBXAGGSA-N 2 2 291.417 -0.764 20 0 CBADLP CS(=O)(=O)NC[C@@H]1COCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000629586058 356784267 /nfs/dbraw/zinc/78/42/67/356784267.db2.gz JQVXYEZXFXXNLA-VXGBXAGGSA-N 2 2 291.417 -0.764 20 0 CBADLP CCn1nncc1C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000629595912 356785086 /nfs/dbraw/zinc/78/50/86/356785086.db2.gz TUPWJTGTTOZIPV-GFCCVEGCSA-N 2 2 253.350 -0.157 20 0 CBADLP CCn1nncc1C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000629595912 356785088 /nfs/dbraw/zinc/78/50/88/356785088.db2.gz TUPWJTGTTOZIPV-GFCCVEGCSA-N 2 2 253.350 -0.157 20 0 CBADLP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CCN1C(=O)CNC1=O)C2 ZINC000629598154 356785119 /nfs/dbraw/zinc/78/51/19/356785119.db2.gz WXYQFXJACOWDKI-BETUJISGSA-N 2 2 266.345 -0.530 20 0 CBADLP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CCN1C(=O)CNC1=O)C2 ZINC000629598154 356785120 /nfs/dbraw/zinc/78/51/20/356785120.db2.gz WXYQFXJACOWDKI-BETUJISGSA-N 2 2 266.345 -0.530 20 0 CBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CC(C)(C)[NH3+] ZINC000629607376 356785949 /nfs/dbraw/zinc/78/59/49/356785949.db2.gz SAOUFYDUCAHSCP-LLVKDONJSA-N 2 2 273.377 -0.735 20 0 CBADLP O[C@H](C[NH2+]CCN1CC[C@@H](O)C1)C[NH+]1CCCC1 ZINC000629606762 356786056 /nfs/dbraw/zinc/78/60/56/356786056.db2.gz MHMUBMLGJGHFEO-CHWSQXEVSA-N 2 2 257.378 -0.901 20 0 CBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CCC[NH2+]C1 ZINC000629606309 356786138 /nfs/dbraw/zinc/78/61/38/356786138.db2.gz CORLIMJWWOYIAX-OLZOCXBDSA-N 2 2 285.388 -0.863 20 0 CBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1[NH2+]CC1(C)C ZINC000629606498 356786346 /nfs/dbraw/zinc/78/63/46/356786346.db2.gz HVOXTLAAJUAPCY-NWDGAFQWSA-N 2 2 285.388 -0.864 20 0 CBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000629607193 356786433 /nfs/dbraw/zinc/78/64/33/356786433.db2.gz QZMKMQSBSZISQS-XQQFMLRXSA-N 2 2 285.388 -0.735 20 0 CBADLP CC(C)[C@@H]([NH3+])C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000629607498 356787003 /nfs/dbraw/zinc/78/70/03/356787003.db2.gz OBFCZQDMYSGEMM-NWDGAFQWSA-N 2 2 273.377 -0.879 20 0 CBADLP C[C@H]([NH3+])CCC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000629607489 356787251 /nfs/dbraw/zinc/78/72/51/356787251.db2.gz UUHRLFJKLKJRPP-RYUDHWBXSA-N 2 2 273.377 -0.735 20 0 CBADLP [NH3+]CC1(NC(=O)NCC[NH+]2CCOCC2)CCOCC1 ZINC000631001227 356872362 /nfs/dbraw/zinc/87/23/62/356872362.db2.gz MFHGVESDNWMJCH-UHFFFAOYSA-N 2 2 286.376 -0.874 20 0 CBADLP C[C@@H]1CN(C(=O)NCC[NH+]2CCOCC2)C[C@H]1C[NH3+] ZINC000631001745 356872494 /nfs/dbraw/zinc/87/24/94/356872494.db2.gz RRVAECBMIQVKJW-VXGBXAGGSA-N 2 2 270.377 -0.445 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000630396568 356842663 /nfs/dbraw/zinc/84/26/63/356842663.db2.gz KBSYAGPZIMEHSE-VXGBXAGGSA-N 2 2 281.360 -0.363 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000630396568 356842664 /nfs/dbraw/zinc/84/26/64/356842664.db2.gz KBSYAGPZIMEHSE-VXGBXAGGSA-N 2 2 281.360 -0.363 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)NCCCn1cc[nH+]c1 ZINC000630397409 356842990 /nfs/dbraw/zinc/84/29/90/356842990.db2.gz XPFTVWJXBIZEIP-LBPRGKRZSA-N 2 2 281.360 -0.097 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)NCCCn1cc[nH+]c1 ZINC000630397409 356842995 /nfs/dbraw/zinc/84/29/95/356842995.db2.gz XPFTVWJXBIZEIP-LBPRGKRZSA-N 2 2 281.360 -0.097 20 0 CBADLP CN1CCN(c2cc(NC3CC[NH2+]CC3)[nH+]cn2)CC1=O ZINC000630554411 356850960 /nfs/dbraw/zinc/85/09/60/356850960.db2.gz ZSEUKIVZUIZOOI-UHFFFAOYSA-N 2 2 290.371 -0.081 20 0 CBADLP CN1CCN(c2cc(NC3CC[NH2+]CC3)nc[nH+]2)CC1=O ZINC000630554411 356850964 /nfs/dbraw/zinc/85/09/64/356850964.db2.gz ZSEUKIVZUIZOOI-UHFFFAOYSA-N 2 2 290.371 -0.081 20 0 CBADLP c1nc(N2C[C@@H]3C[C@H]2C[NH2+]3)cc(N2CCOCC2)[nH+]1 ZINC000630554438 356851022 /nfs/dbraw/zinc/85/10/22/356851022.db2.gz YURCYFRWHVECGT-QWRGUYRKSA-N 2 2 261.329 -0.136 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCn1cc([C@@H]2COCCN2)nn1 ZINC000630612406 356855327 /nfs/dbraw/zinc/85/53/27/356855327.db2.gz VKWDQWYWXHXPCF-AWEZNQCLSA-N 2 2 296.419 -0.178 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCn1cc([C@@H]2COCCN2)nn1 ZINC000630612406 356855331 /nfs/dbraw/zinc/85/53/31/356855331.db2.gz VKWDQWYWXHXPCF-AWEZNQCLSA-N 2 2 296.419 -0.178 20 0 CBADLP CCCNC(=O)[C@@H](C)[NH+]1CCC([NH2+]CCO)CC1 ZINC000631864729 356913572 /nfs/dbraw/zinc/91/35/72/356913572.db2.gz SNZFFSRHYSMQGW-LLVKDONJSA-N 2 2 257.378 -0.053 20 0 CBADLP COCCCNC(=O)[C@@H](C)[NH+]1CCC([NH2+]CCO)CC1 ZINC000631863719 356913629 /nfs/dbraw/zinc/91/36/29/356913629.db2.gz DHQJYWDOVSJOJQ-GFCCVEGCSA-N 2 2 287.404 -0.426 20 0 CBADLP CNC(=O)NC[C@H]1COCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000631872855 356915403 /nfs/dbraw/zinc/91/54/03/356915403.db2.gz HGYFCPPFIXYNBN-RYUDHWBXSA-N 2 2 298.387 -0.863 20 0 CBADLP CNC(=O)NC[C@H]1COCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000631872855 356915406 /nfs/dbraw/zinc/91/54/06/356915406.db2.gz HGYFCPPFIXYNBN-RYUDHWBXSA-N 2 2 298.387 -0.863 20 0 CBADLP CCS(=O)(=O)NCC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631887852 356916094 /nfs/dbraw/zinc/91/60/94/356916094.db2.gz QZNSYHODBDLNFT-RYUDHWBXSA-N 2 2 275.418 0.000 20 0 CBADLP CCS(=O)(=O)NCC[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631887852 356916097 /nfs/dbraw/zinc/91/60/97/356916097.db2.gz QZNSYHODBDLNFT-RYUDHWBXSA-N 2 2 275.418 0.000 20 0 CBADLP O=C(C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)N1CCNC(=O)C1 ZINC000631887950 356916127 /nfs/dbraw/zinc/91/61/27/356916127.db2.gz VLUBTJIEPKETQB-RYUDHWBXSA-N 2 2 280.372 -0.981 20 0 CBADLP O=C(C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)N1CCNC(=O)C1 ZINC000631887950 356916131 /nfs/dbraw/zinc/91/61/31/356916131.db2.gz VLUBTJIEPKETQB-RYUDHWBXSA-N 2 2 280.372 -0.981 20 0 CBADLP C[C@@H]1CN(S(=O)(=O)CC2([NH+](C)C)CC2)CC[NH2+]1 ZINC000631903983 356919630 /nfs/dbraw/zinc/91/96/30/356919630.db2.gz AEGDTNDJPCFORO-SNVBAGLBSA-N 2 2 261.391 -0.296 20 0 CBADLP C[NH+](C)C1(CS(=O)(=O)N[C@H](CC[NH3+])C(F)F)CC1 ZINC000631943424 356930508 /nfs/dbraw/zinc/93/05/08/356930508.db2.gz WKSXHSITFCBYDD-MRVPVSSYSA-N 2 2 285.360 -0.018 20 0 CBADLP C[N@@H+]1CCO[C@@H](CS(=O)(=O)N2CCC[NH+](C)CC2)C1 ZINC000631644338 356899376 /nfs/dbraw/zinc/89/93/76/356899376.db2.gz FOOWMDFHGTZLTH-GFCCVEGCSA-N 2 2 291.417 -0.716 20 0 CBADLP C[N@H+]1CCO[C@@H](CS(=O)(=O)N2CCC[NH+](C)CC2)C1 ZINC000631644338 356899379 /nfs/dbraw/zinc/89/93/79/356899379.db2.gz FOOWMDFHGTZLTH-GFCCVEGCSA-N 2 2 291.417 -0.716 20 0 CBADLP C[NH+]1CCO[C@@H](CS(=O)(=O)N2CCC[N@H+](C)CC2)C1 ZINC000631644338 356899380 /nfs/dbraw/zinc/89/93/80/356899380.db2.gz FOOWMDFHGTZLTH-GFCCVEGCSA-N 2 2 291.417 -0.716 20 0 CBADLP C[NH+]1CCO[C@@H](CS(=O)(=O)N2CCC[N@@H+](C)CC2)C1 ZINC000631644338 356899382 /nfs/dbraw/zinc/89/93/82/356899382.db2.gz FOOWMDFHGTZLTH-GFCCVEGCSA-N 2 2 291.417 -0.716 20 0 CBADLP CNS(=O)(=O)CCC[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000631709927 356901901 /nfs/dbraw/zinc/90/19/01/356901901.db2.gz MZKAILJFDWXGCD-CMPLNLGQSA-N 2 2 275.418 -0.002 20 0 CBADLP CNS(=O)(=O)CCC[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000631709927 356901905 /nfs/dbraw/zinc/90/19/05/356901905.db2.gz MZKAILJFDWXGCD-CMPLNLGQSA-N 2 2 275.418 -0.002 20 0 CBADLP C[NH+](C)CCCS(=O)(=O)N1CCn2c[nH+]cc2C1 ZINC000632346237 356974618 /nfs/dbraw/zinc/97/46/18/356974618.db2.gz IXGDKHYSNVFJGW-UHFFFAOYSA-N 2 2 272.374 -0.020 20 0 CBADLP CN(CCC[NH+](C)C)C(=O)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000632383114 356981270 /nfs/dbraw/zinc/98/12/70/356981270.db2.gz VQYJQYKAWPBAPV-UHFFFAOYSA-N 2 2 281.360 -0.222 20 0 CBADLP CN1C[C@H](C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)OC1=O ZINC000496701380 283232744 /nfs/dbraw/zinc/23/27/44/283232744.db2.gz UUCMVRVJDOCXIG-SNVBAGLBSA-N 2 2 265.317 -0.018 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)[C@@H]2COC[C@H]2O)CC1 ZINC000329156959 202208894 /nfs/dbraw/zinc/20/88/94/202208894.db2.gz CXUXODCNSFZGSR-YNEHKIRRSA-N 2 2 285.388 -0.770 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)[C@@H]2COC[C@H]2O)CC1 ZINC000329156959 202208896 /nfs/dbraw/zinc/20/88/96/202208896.db2.gz CXUXODCNSFZGSR-YNEHKIRRSA-N 2 2 285.388 -0.770 20 0 CBADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)N(C)CC1C[NH+](C)C1 ZINC000632753960 357021909 /nfs/dbraw/zinc/02/19/09/357021909.db2.gz MTYDSSCHMVYQMB-UHFFFAOYSA-N 2 2 279.344 -0.612 20 0 CBADLP COc1cc[nH+]cc1NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633033051 357037324 /nfs/dbraw/zinc/03/73/24/357037324.db2.gz GJOYWYUUVIQMDG-AOOOYVTPSA-N 2 2 290.323 -0.009 20 0 CBADLP C[C@@H]1CN(C(=O)C(=O)N(C)Cc2[nH]cc[nH+]2)[C@H](C)C[NH2+]1 ZINC000633101147 357045267 /nfs/dbraw/zinc/04/52/67/357045267.db2.gz AJVMIZIXKDHZHG-NXEZZACHSA-N 2 2 279.344 -0.423 20 0 CBADLP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000633103652 357045826 /nfs/dbraw/zinc/04/58/26/357045826.db2.gz UVMOTLGJPIZEBL-JTQLQIEISA-N 2 2 279.344 -0.422 20 0 CBADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000633102649 357046128 /nfs/dbraw/zinc/04/61/28/357046128.db2.gz KJVMDUXRRHKQAO-JTQLQIEISA-N 2 2 279.344 -0.292 20 0 CBADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000633107952 357046782 /nfs/dbraw/zinc/04/67/82/357046782.db2.gz CRHVTEIDZMGLCY-QMTHXVAHSA-N 2 2 291.355 -0.292 20 0 CBADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000633107949 357047028 /nfs/dbraw/zinc/04/70/28/357047028.db2.gz CRHVTEIDZMGLCY-IINYFYTJSA-N 2 2 291.355 -0.292 20 0 CBADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000633109894 357048285 /nfs/dbraw/zinc/04/82/85/357048285.db2.gz RPZJLZVCHGYANT-NSHDSACASA-N 2 2 293.371 -0.176 20 0 CBADLP C[C@H](CCNS(=O)(=O)C[C@H]1C[N@H+](C)CCO1)[NH+](C)C ZINC000632550016 357000824 /nfs/dbraw/zinc/00/08/24/357000824.db2.gz NEAPEWXQXZZZBK-VXGBXAGGSA-N 2 2 293.433 -0.423 20 0 CBADLP C[C@H](CCNS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1)[NH+](C)C ZINC000632550016 357000826 /nfs/dbraw/zinc/00/08/26/357000826.db2.gz NEAPEWXQXZZZBK-VXGBXAGGSA-N 2 2 293.433 -0.423 20 0 CBADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)[C@H]3CC(=O)N3)c2)CC1 ZINC000634193555 357109480 /nfs/dbraw/zinc/10/94/80/357109480.db2.gz KROIJXSQOFCKJP-LLVKDONJSA-N 2 2 289.339 -0.340 20 0 CBADLP C[NH+](C)CCn1cc(C(=O)NC[C@H]2COCC[N@@H+]2C)cn1 ZINC000633684841 357079603 /nfs/dbraw/zinc/07/96/03/357079603.db2.gz LDDJEBVZNHXZGD-ZDUSSCGKSA-N 2 2 295.387 -0.495 20 0 CBADLP C[NH+](C)CCn1cc(C(=O)NC[C@H]2COCC[N@H+]2C)cn1 ZINC000633684841 357079605 /nfs/dbraw/zinc/07/96/05/357079605.db2.gz LDDJEBVZNHXZGD-ZDUSSCGKSA-N 2 2 295.387 -0.495 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCOCC(F)(F)C1 ZINC000634739828 357131467 /nfs/dbraw/zinc/13/14/67/357131467.db2.gz GQUBLJFSJLYCTB-VIFPVBQESA-N 2 2 265.304 -0.241 20 0 CBADLP Nc1c(N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[nH+]cnc1-n1cccn1 ZINC000634810134 357138090 /nfs/dbraw/zinc/13/80/90/357138090.db2.gz NGRYIOHCTZCFRT-MBTKJCJQSA-N 2 2 257.301 -0.126 20 0 CBADLP C[NH+]1CCN(C(=O)CC[NH2+]Cc2ccon2)CC1 ZINC000634958940 357141188 /nfs/dbraw/zinc/14/11/88/357141188.db2.gz CWRWOLNXFIADOO-UHFFFAOYSA-N 2 2 252.318 -0.072 20 0 CBADLP CS(=O)(=O)NC[C@H]1CCC[N@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634991994 357141289 /nfs/dbraw/zinc/14/12/89/357141289.db2.gz ZCRYONMBZDYNIE-PNESKVBLSA-N 2 2 287.429 0.000 20 0 CBADLP CS(=O)(=O)NC[C@H]1CCC[N@@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634991994 357141293 /nfs/dbraw/zinc/14/12/93/357141293.db2.gz ZCRYONMBZDYNIE-PNESKVBLSA-N 2 2 287.429 0.000 20 0 CBADLP CNS(=O)(=O)CCC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000635009346 357142708 /nfs/dbraw/zinc/14/27/08/357142708.db2.gz YAFQNJHEFYWBOA-VXGBXAGGSA-N 2 2 291.417 -0.718 20 0 CBADLP CC(C)(C[NH+]1CCOCC1)C(=O)NCC[NH+]1CCOCC1 ZINC000635072463 357144956 /nfs/dbraw/zinc/14/49/56/357144956.db2.gz UJVKPBBYQXXKGB-UHFFFAOYSA-N 2 2 299.415 -0.207 20 0 CBADLP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000635247557 357153393 /nfs/dbraw/zinc/15/33/93/357153393.db2.gz BDBPHROAILMHKD-LBPRGKRZSA-N 2 2 255.362 -0.393 20 0 CBADLP C[N@H+]1CCCC[C@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000635247557 357153397 /nfs/dbraw/zinc/15/33/97/357153397.db2.gz BDBPHROAILMHKD-LBPRGKRZSA-N 2 2 255.362 -0.393 20 0 CBADLP C[NH+](C)CC1(C(=O)N2CC[NH+](CCO)CC2)CC1 ZINC000635249342 357154441 /nfs/dbraw/zinc/15/44/41/357154441.db2.gz UNLAWDBLAXQMTA-UHFFFAOYSA-N 2 2 255.362 -0.535 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@@H](C)[NH+](C)C)CC1 ZINC000635295450 357155845 /nfs/dbraw/zinc/15/58/45/357155845.db2.gz OEEPMQPKKLEHFS-LLVKDONJSA-N 2 2 270.377 -0.783 20 0 CBADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]C[C@@H](O)C[C@](C)(O)C1CC1 ZINC000634704091 357128119 /nfs/dbraw/zinc/12/81/19/357128119.db2.gz FWVQDMULOCPALY-ILXRZTDVSA-N 2 2 285.432 -0.266 20 0 CBADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]C[C@@H](O)C[C@](C)(O)C1CC1 ZINC000634704091 357128125 /nfs/dbraw/zinc/12/81/25/357128125.db2.gz FWVQDMULOCPALY-ILXRZTDVSA-N 2 2 285.432 -0.266 20 0 CBADLP C[N@H+](C[C@H](O)C[NH2+]C1CN(c2ccncn2)C1)C1CC1 ZINC000634728759 357129914 /nfs/dbraw/zinc/12/99/14/357129914.db2.gz NFAGQLNOMZCSSR-CYBMUJFWSA-N 2 2 277.372 -0.290 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH2+]C1CN(c2ccncn2)C1)C1CC1 ZINC000634728759 357129919 /nfs/dbraw/zinc/12/99/19/357129919.db2.gz NFAGQLNOMZCSSR-CYBMUJFWSA-N 2 2 277.372 -0.290 20 0 CBADLP C[N@@H+]1CC[C@H](CC(=O)N(CCO)CC[NH+]2CCOCC2)C1 ZINC000635713794 357196113 /nfs/dbraw/zinc/19/61/13/357196113.db2.gz KTLQZEBNIJVRPD-CQSZACIVSA-N 2 2 299.415 -0.519 20 0 CBADLP C[N@H+]1CC[C@H](CC(=O)N(CCO)CC[NH+]2CCOCC2)C1 ZINC000635713794 357196116 /nfs/dbraw/zinc/19/61/16/357196116.db2.gz KTLQZEBNIJVRPD-CQSZACIVSA-N 2 2 299.415 -0.519 20 0 CBADLP CCc1c[nH]c(CC(=O)NC[C@](C)(O)C[NH+](C)C)[nH+]1 ZINC000635727755 357197785 /nfs/dbraw/zinc/19/77/85/357197785.db2.gz NWLVNHFTZRFSNX-ZDUSSCGKSA-N 2 2 268.361 -0.057 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@H]2CCCC[NH+]2C)CC[N@@H+]1CCO ZINC000635823928 357213535 /nfs/dbraw/zinc/21/35/35/357213535.db2.gz XUUKUZVEVWFLGK-OLZOCXBDSA-N 2 2 269.389 -0.004 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@H]2CCCC[NH+]2C)CC[N@H+]1CCO ZINC000635823928 357213538 /nfs/dbraw/zinc/21/35/38/357213538.db2.gz XUUKUZVEVWFLGK-OLZOCXBDSA-N 2 2 269.389 -0.004 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC[NH+]1CCO ZINC000635823928 357213539 /nfs/dbraw/zinc/21/35/39/357213539.db2.gz XUUKUZVEVWFLGK-OLZOCXBDSA-N 2 2 269.389 -0.004 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)CC[NH+]1CCO ZINC000635823928 357213543 /nfs/dbraw/zinc/21/35/43/357213543.db2.gz XUUKUZVEVWFLGK-OLZOCXBDSA-N 2 2 269.389 -0.004 20 0 CBADLP C[C@H]1CN(C(=O)[C@@H]2CCCC[NH+]2C)CC[N@@H+]1CCO ZINC000635823930 357213634 /nfs/dbraw/zinc/21/36/34/357213634.db2.gz XUUKUZVEVWFLGK-STQMWFEESA-N 2 2 269.389 -0.004 20 0 CBADLP C[C@H]1CN(C(=O)[C@@H]2CCCC[NH+]2C)CC[N@H+]1CCO ZINC000635823930 357213636 /nfs/dbraw/zinc/21/36/36/357213636.db2.gz XUUKUZVEVWFLGK-STQMWFEESA-N 2 2 269.389 -0.004 20 0 CBADLP C[C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC[NH+]1CCO ZINC000635823930 357213638 /nfs/dbraw/zinc/21/36/38/357213638.db2.gz XUUKUZVEVWFLGK-STQMWFEESA-N 2 2 269.389 -0.004 20 0 CBADLP C[C@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)CC[NH+]1CCO ZINC000635823930 357213640 /nfs/dbraw/zinc/21/36/40/357213640.db2.gz XUUKUZVEVWFLGK-STQMWFEESA-N 2 2 269.389 -0.004 20 0 CBADLP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H](CO)C[NH+]2CCOCC2)C1 ZINC000635893148 357225014 /nfs/dbraw/zinc/22/50/14/357225014.db2.gz LHTSOYRZBHRQFN-QWHCGFSZSA-N 2 2 285.388 -0.863 20 0 CBADLP C[N@H+]1CC[C@@H](CC(=O)N[C@@H](CO)C[NH+]2CCOCC2)C1 ZINC000635893148 357225017 /nfs/dbraw/zinc/22/50/17/357225017.db2.gz LHTSOYRZBHRQFN-QWHCGFSZSA-N 2 2 285.388 -0.863 20 0 CBADLP C[N@@H+]1CC[C@H](CC(=O)N[C@H](CO)C[NH+]2CCOCC2)C1 ZINC000635893147 357225095 /nfs/dbraw/zinc/22/50/95/357225095.db2.gz LHTSOYRZBHRQFN-OLZOCXBDSA-N 2 2 285.388 -0.863 20 0 CBADLP C[N@H+]1CC[C@H](CC(=O)N[C@H](CO)C[NH+]2CCOCC2)C1 ZINC000635893147 357225100 /nfs/dbraw/zinc/22/51/00/357225100.db2.gz LHTSOYRZBHRQFN-OLZOCXBDSA-N 2 2 285.388 -0.863 20 0 CBADLP C[N@@H+]1CC[C@H](CC(=O)N[C@@H](CO)C[NH+]2CCOCC2)C1 ZINC000635893146 357225112 /nfs/dbraw/zinc/22/51/12/357225112.db2.gz LHTSOYRZBHRQFN-CHWSQXEVSA-N 2 2 285.388 -0.863 20 0 CBADLP C[N@H+]1CC[C@H](CC(=O)N[C@@H](CO)C[NH+]2CCOCC2)C1 ZINC000635893146 357225115 /nfs/dbraw/zinc/22/51/15/357225115.db2.gz LHTSOYRZBHRQFN-CHWSQXEVSA-N 2 2 285.388 -0.863 20 0 CBADLP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CN3CC[NH+]2CCC3)C1 ZINC000635900878 357228271 /nfs/dbraw/zinc/22/82/71/357228271.db2.gz YOLDYDSPPXVUOH-KGLIPLIRSA-N 2 2 280.416 -0.166 20 0 CBADLP C[N@H+]1CC[C@H](CC(=O)NC[C@H]2CN3CC[NH+]2CCC3)C1 ZINC000635900878 357228275 /nfs/dbraw/zinc/22/82/75/357228275.db2.gz YOLDYDSPPXVUOH-KGLIPLIRSA-N 2 2 280.416 -0.166 20 0 CBADLP C[NH+]1CC[C@H](CC(=O)NC[C@H]2CN3CC[N@@H+]2CCC3)C1 ZINC000635900878 357228279 /nfs/dbraw/zinc/22/82/79/357228279.db2.gz YOLDYDSPPXVUOH-KGLIPLIRSA-N 2 2 280.416 -0.166 20 0 CBADLP C[NH+]1CC[C@H](CC(=O)NC[C@H]2CN3CC[N@H+]2CCC3)C1 ZINC000635900878 357228282 /nfs/dbraw/zinc/22/82/82/357228282.db2.gz YOLDYDSPPXVUOH-KGLIPLIRSA-N 2 2 280.416 -0.166 20 0 CBADLP C[C@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)[NH+](C)C ZINC000636171736 357268481 /nfs/dbraw/zinc/26/84/81/357268481.db2.gz PJIHFTLQHQBYHJ-GFCCVEGCSA-N 3 2 258.410 -0.064 20 0 CBADLP C[C@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)[NH+](C)C ZINC000636171736 357268484 /nfs/dbraw/zinc/26/84/84/357268484.db2.gz PJIHFTLQHQBYHJ-GFCCVEGCSA-N 3 2 258.410 -0.064 20 0 CBADLP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2COCC[NH+]2C)C1 ZINC000636278940 357275917 /nfs/dbraw/zinc/27/59/17/357275917.db2.gz CHVQUOZPLQDEQI-VXGBXAGGSA-N 2 2 255.362 -0.225 20 0 CBADLP C[N@H+]1CC[C@H](CC(=O)NC[C@@H]2COCC[NH+]2C)C1 ZINC000636278940 357275918 /nfs/dbraw/zinc/27/59/18/357275918.db2.gz CHVQUOZPLQDEQI-VXGBXAGGSA-N 2 2 255.362 -0.225 20 0 CBADLP C[NH+]1CC[C@H](CC(=O)NC[C@@H]2COCC[N@@H+]2C)C1 ZINC000636278940 357275919 /nfs/dbraw/zinc/27/59/19/357275919.db2.gz CHVQUOZPLQDEQI-VXGBXAGGSA-N 2 2 255.362 -0.225 20 0 CBADLP C[NH+]1CC[C@H](CC(=O)NC[C@@H]2COCC[N@H+]2C)C1 ZINC000636278940 357275920 /nfs/dbraw/zinc/27/59/20/357275920.db2.gz CHVQUOZPLQDEQI-VXGBXAGGSA-N 2 2 255.362 -0.225 20 0 CBADLP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)Cn1cc[nH+]c1 ZINC000636316142 357280090 /nfs/dbraw/zinc/28/00/90/357280090.db2.gz RIXULVZJBCAAFD-UHFFFAOYSA-N 2 2 279.344 -0.885 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N(C)CC(=O)N1CC[NH+](C)CC1 ZINC000636315398 357280144 /nfs/dbraw/zinc/28/01/44/357280144.db2.gz QVUJRQUDHRSVAX-UHFFFAOYSA-N 2 2 293.371 -0.576 20 0 CBADLP C[C@@H](C(=O)N1CCCC[C@@H]1C[NH3+])N1CC[NH2+]CC1=O ZINC000637817380 357370328 /nfs/dbraw/zinc/37/03/28/357370328.db2.gz VICVZMGEPBRRNF-WDEREUQCSA-N 2 2 268.361 -0.854 20 0 CBADLP C[C@@H](C(=O)NC[C@H]1CCCC[NH2+]1)N1CC[NH2+]CC1=O ZINC000637817650 357370492 /nfs/dbraw/zinc/37/04/92/357370492.db2.gz YAQGWTZSLAWWFT-WDEREUQCSA-N 2 2 268.361 -0.935 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N(C)CCN1CC[NH2+]CC1 ZINC000637832661 357372989 /nfs/dbraw/zinc/37/29/89/357372989.db2.gz KRXCSAACPCVJFE-UHFFFAOYSA-N 2 2 265.361 -0.376 20 0 CBADLP C[C@@H](C(=O)N[C@@](C)(C[NH3+])C1CC1)N1CC[NH2+]CC1=O ZINC000637840782 357375198 /nfs/dbraw/zinc/37/51/98/357375198.db2.gz IVWQVRCFJFUGRI-ZANVPECISA-N 2 2 268.361 -0.950 20 0 CBADLP C[C@@H](C[NH+](C)C)NC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000637144354 357325702 /nfs/dbraw/zinc/32/57/02/357325702.db2.gz CLPAPZLIYNANGV-WDEREUQCSA-N 2 2 258.366 -0.434 20 0 CBADLP C[C@@H](C[NH+](C)C)NC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000637144354 357325704 /nfs/dbraw/zinc/32/57/04/357325704.db2.gz CLPAPZLIYNANGV-WDEREUQCSA-N 2 2 258.366 -0.434 20 0 CBADLP CCn1cc[nH+]c1CNC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000637187128 357328944 /nfs/dbraw/zinc/32/89/44/357328944.db2.gz LBBCPQQWKIUTIZ-LLVKDONJSA-N 2 2 281.360 -0.231 20 0 CBADLP CCn1cc[nH+]c1CNC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000637187128 357328945 /nfs/dbraw/zinc/32/89/45/357328945.db2.gz LBBCPQQWKIUTIZ-LLVKDONJSA-N 2 2 281.360 -0.231 20 0 CBADLP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000637862672 357378359 /nfs/dbraw/zinc/37/83/59/357378359.db2.gz SGVQJSCHMXQNRL-NWDGAFQWSA-N 2 2 284.404 -0.362 20 0 CBADLP C[C@@H](C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+])N1CC[NH2+]CC1=O ZINC000637845614 357376357 /nfs/dbraw/zinc/37/63/57/357376357.db2.gz BFFNIXQTQJIDFQ-WOPDTQHZSA-N 2 2 282.388 -0.608 20 0 CBADLP C[NH+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2COCC[N@@H+]2C)C1 ZINC000637441319 357348612 /nfs/dbraw/zinc/34/86/12/357348612.db2.gz ATHSTOSCRVVJTM-QWHCGFSZSA-N 2 2 284.404 -0.090 20 0 CBADLP C[NH+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2COCC[N@H+]2C)C1 ZINC000637441319 357348615 /nfs/dbraw/zinc/34/86/15/357348615.db2.gz ATHSTOSCRVVJTM-QWHCGFSZSA-N 2 2 284.404 -0.090 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)N1CCC[NH+](C)CC1 ZINC000637444504 357350974 /nfs/dbraw/zinc/35/09/74/357350974.db2.gz AJDFCIPXXGRDFI-GFCCVEGCSA-N 2 2 270.377 -0.336 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)N1CCC[NH+](C)CC1 ZINC000637444504 357350979 /nfs/dbraw/zinc/35/09/79/357350979.db2.gz AJDFCIPXXGRDFI-GFCCVEGCSA-N 2 2 270.377 -0.336 20 0 CBADLP C[NH+]1CCOC[C@H]1CNC(=O)N1CCC[N@H+](C)CC1 ZINC000637444504 357350981 /nfs/dbraw/zinc/35/09/81/357350981.db2.gz AJDFCIPXXGRDFI-GFCCVEGCSA-N 2 2 270.377 -0.336 20 0 CBADLP C[NH+]1CCOC[C@H]1CNC(=O)N1CCC[N@@H+](C)CC1 ZINC000637444504 357350985 /nfs/dbraw/zinc/35/09/85/357350985.db2.gz AJDFCIPXXGRDFI-GFCCVEGCSA-N 2 2 270.377 -0.336 20 0 CBADLP C[C@H](C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+])N1CC[NH2+]CC1=O ZINC000637853792 357377101 /nfs/dbraw/zinc/37/71/01/357377101.db2.gz YPVOXZGCDZTKGP-IJLUTSLNSA-N 2 2 282.388 -0.560 20 0 CBADLP C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](C)N2CC[NH2+]CC2=O)C1 ZINC000637797486 357364116 /nfs/dbraw/zinc/36/41/16/357364116.db2.gz AOIPKUAAWVCNCI-NEPJUHHUSA-N 2 2 282.388 -0.735 20 0 CBADLP C[C@H](C(=O)N(C1CC1)C1CC[NH2+]CC1)N1CC[NH2+]CC1=O ZINC000637805605 357367590 /nfs/dbraw/zinc/36/75/90/357367590.db2.gz ASWAYTLAUAYVCR-LLVKDONJSA-N 2 2 294.399 -0.450 20 0 CBADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638048010 357404694 /nfs/dbraw/zinc/40/46/94/357404694.db2.gz MEEBEGJVVHPAPT-NWDGAFQWSA-N 2 2 282.388 -0.593 20 0 CBADLP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638048010 357404696 /nfs/dbraw/zinc/40/46/96/357404696.db2.gz MEEBEGJVVHPAPT-NWDGAFQWSA-N 2 2 282.388 -0.593 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@]2(C)C[C@H](OC)C[NH2+]2)CC1 ZINC000638045858 357405206 /nfs/dbraw/zinc/40/52/06/357405206.db2.gz ANXVFTVGIVIXTR-WCQYABFASA-N 2 2 255.362 -0.083 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@]2(C)C[C@@H](OC)C[NH2+]2)CC1 ZINC000638045859 357405355 /nfs/dbraw/zinc/40/53/55/357405355.db2.gz ANXVFTVGIVIXTR-YPMHNXCESA-N 2 2 255.362 -0.083 20 0 CBADLP [NH3+]C[C@@]1(C(=O)NCC[NH+]2CCOCC2)CCCOC1 ZINC000638049037 357405450 /nfs/dbraw/zinc/40/54/50/357405450.db2.gz SAGWJEUFVIRXML-ZDUSSCGKSA-N 2 2 271.361 -0.810 20 0 CBADLP C[C@@H](C(=O)NCCC[NH+]1CCCC1)N1CC[NH2+]CC1=O ZINC000638052782 357406064 /nfs/dbraw/zinc/40/60/64/357406064.db2.gz AKNGGIPFSVGFKJ-LBPRGKRZSA-N 2 2 282.388 -0.591 20 0 CBADLP CC(C)(CNC(=O)[C@@]1(C[NH3+])CCCOC1)[NH+]1CCOCC1 ZINC000638049211 357406636 /nfs/dbraw/zinc/40/66/36/357406636.db2.gz KMXGMJXXEUXKOR-OAHLLOKOSA-N 2 2 299.415 -0.031 20 0 CBADLP C[C@@H](C(=O)NCC[NH+]1CCCCC1)N1CC[NH2+]CC1=O ZINC000638056492 357406724 /nfs/dbraw/zinc/40/67/24/357406724.db2.gz ZNMZBQUSNAQHOK-LBPRGKRZSA-N 2 2 282.388 -0.591 20 0 CBADLP CN(C)c1[nH+]cccc1CNC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638068302 357408511 /nfs/dbraw/zinc/40/85/11/357408511.db2.gz ITFCPDKWFWGJOB-WDEREUQCSA-N 2 2 264.329 -0.120 20 0 CBADLP CN(C)c1[nH+]cccc1CNC(=O)CN1CC[NH2+]CC1 ZINC000638068383 357408824 /nfs/dbraw/zinc/40/88/24/357408824.db2.gz JWZKVLDYNMXWIL-UHFFFAOYSA-N 2 2 277.372 -0.331 20 0 CBADLP C[C@H](C(=O)NCC[NH+]1CCC(C)CC1)N1CC[NH2+]CC1=O ZINC000638070262 357410097 /nfs/dbraw/zinc/41/00/97/357410097.db2.gz PVBMMEZTEDPCJY-CYBMUJFWSA-N 2 2 296.415 -0.345 20 0 CBADLP C[C@@H](CNC(=O)[C@H](C)N1CC[NH2+]CC1=O)C[NH+]1CCCC1 ZINC000638074570 357411163 /nfs/dbraw/zinc/41/11/63/357411163.db2.gz MRESMQYGHUPWFU-STQMWFEESA-N 2 2 296.415 -0.345 20 0 CBADLP C[C@H](C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CC[NH2+]CC1=O ZINC000638072896 357411188 /nfs/dbraw/zinc/41/11/88/357411188.db2.gz RLJFLLBWSRKNEI-JHJVBQTASA-N 2 2 294.399 -0.450 20 0 CBADLP C[C@H](C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)N1CC[NH2+]CC1=O ZINC000638072896 357411190 /nfs/dbraw/zinc/41/11/90/357411190.db2.gz RLJFLLBWSRKNEI-JHJVBQTASA-N 2 2 294.399 -0.450 20 0 CBADLP C[C@@H](C(=O)NC[C@@H](C1CC1)[NH+](C)C)N1CC[NH2+]CC1=O ZINC000638077581 357412327 /nfs/dbraw/zinc/41/23/27/357412327.db2.gz UJBCYTADCYMPTI-JQWIXIFHSA-N 2 2 282.388 -0.737 20 0 CBADLP C[C@H](C(=O)NCC[N@H+](C)C1CC1)N1CC[NH2+]CC1=O ZINC000638083471 357413279 /nfs/dbraw/zinc/41/32/79/357413279.db2.gz MNUUFNHHJYEXCC-SNVBAGLBSA-N 2 2 268.361 -0.983 20 0 CBADLP C[C@H](C(=O)NCC[N@@H+](C)C1CC1)N1CC[NH2+]CC1=O ZINC000638083471 357413284 /nfs/dbraw/zinc/41/32/84/357413284.db2.gz MNUUFNHHJYEXCC-SNVBAGLBSA-N 2 2 268.361 -0.983 20 0 CBADLP CC1(C)C[N@H+](CCNC(=O)[C@]2(C)C[NH2+]CCO2)CCO1 ZINC000638091011 357414264 /nfs/dbraw/zinc/41/42/64/357414264.db2.gz NWCGEKOKIRRUTP-AWEZNQCLSA-N 2 2 285.388 -0.408 20 0 CBADLP CC1(C)C[N@@H+](CCNC(=O)[C@]2(C)C[NH2+]CCO2)CCO1 ZINC000638091011 357414267 /nfs/dbraw/zinc/41/42/67/357414267.db2.gz NWCGEKOKIRRUTP-AWEZNQCLSA-N 2 2 285.388 -0.408 20 0 CBADLP CC1(C)C[N@H+](CCNC(=O)c2cnc(C[NH3+])nc2)CCO1 ZINC000638089939 357414706 /nfs/dbraw/zinc/41/47/06/357414706.db2.gz FHGWWCWSPOLLSW-UHFFFAOYSA-N 2 2 293.371 -0.224 20 0 CBADLP CC1(C)C[N@@H+](CCNC(=O)c2cnc(C[NH3+])nc2)CCO1 ZINC000638089939 357414707 /nfs/dbraw/zinc/41/47/07/357414707.db2.gz FHGWWCWSPOLLSW-UHFFFAOYSA-N 2 2 293.371 -0.224 20 0 CBADLP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)C1 ZINC000638089969 357414726 /nfs/dbraw/zinc/41/47/26/357414726.db2.gz FIEWNWGIOXTOHW-SGMGOOAPSA-N 2 2 285.388 -0.410 20 0 CBADLP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCC[N@H+]2CCO[C@@H](C)C2)C1 ZINC000638089969 357414728 /nfs/dbraw/zinc/41/47/28/357414728.db2.gz FIEWNWGIOXTOHW-SGMGOOAPSA-N 2 2 285.388 -0.410 20 0 CBADLP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000638090285 357414794 /nfs/dbraw/zinc/41/47/94/357414794.db2.gz HMGVGMNWRXUAQQ-SWLSCSKDSA-N 2 2 299.415 -0.020 20 0 CBADLP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCC[N@H+]2CCOC(C)(C)C2)C1 ZINC000638090285 357414795 /nfs/dbraw/zinc/41/47/95/357414795.db2.gz HMGVGMNWRXUAQQ-SWLSCSKDSA-N 2 2 299.415 -0.020 20 0 CBADLP CC1(C)C[N@H+](CCNC(=O)[C@@]2(C[NH3+])CCCOC2)CCO1 ZINC000638090666 357414845 /nfs/dbraw/zinc/41/48/45/357414845.db2.gz JOISEDRDKFZLAL-OAHLLOKOSA-N 2 2 299.415 -0.031 20 0 CBADLP CC1(C)C[N@@H+](CCNC(=O)[C@@]2(C[NH3+])CCCOC2)CCO1 ZINC000638090666 357414847 /nfs/dbraw/zinc/41/48/47/357414847.db2.gz JOISEDRDKFZLAL-OAHLLOKOSA-N 2 2 299.415 -0.031 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638097443 357416177 /nfs/dbraw/zinc/41/61/77/357416177.db2.gz FBDMBESSERNNSV-PWSUYJOCSA-N 2 2 253.346 -0.129 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638097443 357416178 /nfs/dbraw/zinc/41/61/78/357416178.db2.gz FBDMBESSERNNSV-PWSUYJOCSA-N 2 2 253.346 -0.129 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638100315 357417276 /nfs/dbraw/zinc/41/72/76/357417276.db2.gz YJWFSQYPEDZQCV-AAEUAGOBSA-N 2 2 271.361 -0.798 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638100315 357417277 /nfs/dbraw/zinc/41/72/77/357417277.db2.gz YJWFSQYPEDZQCV-AAEUAGOBSA-N 2 2 271.361 -0.798 20 0 CBADLP C[C@H](NC(=O)[C@@]1(C[NH3+])CCCOC1)[C@H](C)[NH+]1CCOCC1 ZINC000638102861 357418539 /nfs/dbraw/zinc/41/85/39/357418539.db2.gz WOYRFHKQKTTXBD-KCQAQPDRSA-N 2 2 299.415 -0.033 20 0 CBADLP C[C@@H](C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1)N1CC[NH2+]CC1=O ZINC000638113456 357420240 /nfs/dbraw/zinc/42/02/40/357420240.db2.gz BUWYPVQTYFZMDY-WOPDTQHZSA-N 2 2 282.388 -0.594 20 0 CBADLP C[C@@H](C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1)N1CC[NH2+]CC1=O ZINC000638113456 357420244 /nfs/dbraw/zinc/42/02/44/357420244.db2.gz BUWYPVQTYFZMDY-WOPDTQHZSA-N 2 2 282.388 -0.594 20 0 CBADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)CCC2C[NH2+]C2)CC1 ZINC000638125503 357422359 /nfs/dbraw/zinc/42/23/59/357422359.db2.gz JSQRJCBUHQESMK-UHFFFAOYSA-N 2 2 282.388 -0.606 20 0 CBADLP CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)N2CC[NH2+]CC2=O)C1 ZINC000638127453 357422976 /nfs/dbraw/zinc/42/29/76/357422976.db2.gz JITPPDLDQUCIRT-CHWSQXEVSA-N 2 2 296.415 -0.393 20 0 CBADLP CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)N2CC[NH2+]CC2=O)C1 ZINC000638127453 357422980 /nfs/dbraw/zinc/42/29/80/357422980.db2.gz JITPPDLDQUCIRT-CHWSQXEVSA-N 2 2 296.415 -0.393 20 0 CBADLP C[C@H](C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C)N1CC[NH2+]CC1=O ZINC000638133991 357424390 /nfs/dbraw/zinc/42/43/90/357424390.db2.gz KBBKMSIHIGDMOC-WZRBSPASSA-N 2 2 294.399 -0.594 20 0 CBADLP C[C@H](C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C)N1CC[NH2+]CC1=O ZINC000638133991 357424392 /nfs/dbraw/zinc/42/43/92/357424392.db2.gz KBBKMSIHIGDMOC-WZRBSPASSA-N 2 2 294.399 -0.594 20 0 CBADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638142123 357426015 /nfs/dbraw/zinc/42/60/15/357426015.db2.gz YKDWYHHARLJNRR-ZFWWWQNUSA-N 2 2 298.431 -0.506 20 0 CBADLP CCC[C@H]1C[NH2+]CCN1C(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638160523 357428330 /nfs/dbraw/zinc/42/83/30/357428330.db2.gz MCVDPAXKZLPJAN-NEPJUHHUSA-N 2 2 282.388 -0.593 20 0 CBADLP C[N@@H+]1CCN(C(=O)Cn2ccc(C(F)F)n2)[C@H](C[NH3+])C1 ZINC000637864722 357379038 /nfs/dbraw/zinc/37/90/38/357379038.db2.gz WHBHMQQWEKSHLW-SECBINFHSA-N 2 2 287.314 -0.078 20 0 CBADLP C[N@H+]1CCN(C(=O)Cn2ccc(C(F)F)n2)[C@H](C[NH3+])C1 ZINC000637864722 357379042 /nfs/dbraw/zinc/37/90/42/357379042.db2.gz WHBHMQQWEKSHLW-SECBINFHSA-N 2 2 287.314 -0.078 20 0 CBADLP C[NH2+]CCOCCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000638576011 357496142 /nfs/dbraw/zinc/49/61/42/357496142.db2.gz CBWSIZOWBJCCQF-AWEZNQCLSA-N 2 2 299.415 -0.018 20 0 CBADLP C[NH2+]CCOCCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000638576011 357496146 /nfs/dbraw/zinc/49/61/46/357496146.db2.gz CBWSIZOWBJCCQF-AWEZNQCLSA-N 2 2 299.415 -0.018 20 0 CBADLP CO[C@]1(C[NH2+]C[C@@H]2C[N@H+](C)CCN2C)CCOC1 ZINC000638596923 357500481 /nfs/dbraw/zinc/50/04/81/357500481.db2.gz TWXOLEKVXLFBRI-OLZOCXBDSA-N 2 2 257.378 -0.373 20 0 CBADLP CO[C@]1(C[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)CCOC1 ZINC000638596923 357500482 /nfs/dbraw/zinc/50/04/82/357500482.db2.gz TWXOLEKVXLFBRI-OLZOCXBDSA-N 2 2 257.378 -0.373 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CC[NH2+]CC1(F)F ZINC000638608936 357501573 /nfs/dbraw/zinc/50/15/73/357501573.db2.gz DBOHFTOPLJDVNF-UWVGGRQHSA-N 2 2 277.315 -0.322 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CC[NH2+]CC1(F)F ZINC000638608936 357501575 /nfs/dbraw/zinc/50/15/75/357501575.db2.gz DBOHFTOPLJDVNF-UWVGGRQHSA-N 2 2 277.315 -0.322 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)C[C@H]1CSCC[NH2+]1 ZINC000638611224 357502129 /nfs/dbraw/zinc/50/21/29/357502129.db2.gz MYBZIENWEKFFLE-WDEREUQCSA-N 2 2 273.402 -0.472 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)C[C@H]1CSCC[NH2+]1 ZINC000638611224 357502136 /nfs/dbraw/zinc/50/21/36/357502136.db2.gz MYBZIENWEKFFLE-WDEREUQCSA-N 2 2 273.402 -0.472 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000638610923 357502390 /nfs/dbraw/zinc/50/23/90/357502390.db2.gz LZNVNLYYXGXFHY-YPMHNXCESA-N 2 2 255.362 -0.177 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000638610923 357502396 /nfs/dbraw/zinc/50/23/96/357502396.db2.gz LZNVNLYYXGXFHY-YPMHNXCESA-N 2 2 255.362 -0.177 20 0 CBADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000638609645 357502560 /nfs/dbraw/zinc/50/25/60/357502560.db2.gz GJLBVCXBFOWLSP-SRVKXCTJSA-N 2 2 255.362 -0.179 20 0 CBADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1COCC[N@H+]1C ZINC000638609645 357502563 /nfs/dbraw/zinc/50/25/63/357502563.db2.gz GJLBVCXBFOWLSP-SRVKXCTJSA-N 2 2 255.362 -0.179 20 0 CBADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000638609649 357502598 /nfs/dbraw/zinc/50/25/98/357502598.db2.gz GJLBVCXBFOWLSP-TUAOUCFPSA-N 2 2 255.362 -0.179 20 0 CBADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H]1COCC[N@H+]1C ZINC000638609649 357502601 /nfs/dbraw/zinc/50/26/01/357502601.db2.gz GJLBVCXBFOWLSP-TUAOUCFPSA-N 2 2 255.362 -0.179 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000638610875 357502742 /nfs/dbraw/zinc/50/27/42/357502742.db2.gz LOJHGKBFPYOTFH-VXGBXAGGSA-N 2 2 271.361 -0.798 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000638610875 357502745 /nfs/dbraw/zinc/50/27/45/357502745.db2.gz LOJHGKBFPYOTFH-VXGBXAGGSA-N 2 2 271.361 -0.798 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000638609238 357502764 /nfs/dbraw/zinc/50/27/64/357502764.db2.gz FRRCFFKIQBCTOQ-KOLCDFICSA-N 2 2 295.305 -0.025 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000638609238 357502765 /nfs/dbraw/zinc/50/27/65/357502765.db2.gz FRRCFFKIQBCTOQ-KOLCDFICSA-N 2 2 295.305 -0.025 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000638611244 357502785 /nfs/dbraw/zinc/50/27/85/357502785.db2.gz NDWCDVUPPVWVCU-SDDRHHMPSA-N 2 2 255.362 -0.049 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000638611244 357502787 /nfs/dbraw/zinc/50/27/87/357502787.db2.gz NDWCDVUPPVWVCU-SDDRHHMPSA-N 2 2 255.362 -0.049 20 0 CBADLP C[C@@H]1CC[NH2+][C@H](C(=O)NC[C@H]2COCC[N@@H+]2C)C1 ZINC000638612378 357503513 /nfs/dbraw/zinc/50/35/13/357503513.db2.gz VGKSHQBWMNXAAZ-WOPDTQHZSA-N 2 2 255.362 -0.179 20 0 CBADLP C[C@@H]1CC[NH2+][C@H](C(=O)NC[C@H]2COCC[N@H+]2C)C1 ZINC000638612378 357503519 /nfs/dbraw/zinc/50/35/19/357503519.db2.gz VGKSHQBWMNXAAZ-WOPDTQHZSA-N 2 2 255.362 -0.179 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)c1c[nH+]ccc1N ZINC000638612009 357504074 /nfs/dbraw/zinc/50/40/74/357504074.db2.gz RQFOFTOFIVNCEE-VIFPVBQESA-N 2 2 250.302 -0.445 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)c1c[nH+]ccc1N ZINC000638612009 357504077 /nfs/dbraw/zinc/50/40/77/357504077.db2.gz RQFOFTOFIVNCEE-VIFPVBQESA-N 2 2 250.302 -0.445 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000638612350 357504223 /nfs/dbraw/zinc/50/42/23/357504223.db2.gz UWOUYPTZBVUMES-SCRDCRAPSA-N 2 2 267.373 -0.177 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000638612350 357504225 /nfs/dbraw/zinc/50/42/25/357504225.db2.gz UWOUYPTZBVUMES-SCRDCRAPSA-N 2 2 267.373 -0.177 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@H]1Cc2ccccc2NC1=O ZINC000638626074 357512383 /nfs/dbraw/zinc/51/23/83/357512383.db2.gz JIXMJANHSNATPN-AAEUAGOBSA-N 2 2 290.367 -0.055 20 0 CBADLP CC(C)CN(CC[NH+](C)C)C(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638273159 357447434 /nfs/dbraw/zinc/44/74/34/357447434.db2.gz YMHYPEUEGLCKQZ-ZDUSSCGKSA-N 2 2 298.431 -0.147 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)C1=CC[C@H]([NH3+])C1 ZINC000638275775 357448531 /nfs/dbraw/zinc/44/85/31/357448531.db2.gz PGBWSWLBUMZXIP-LBPRGKRZSA-N 2 2 253.346 -0.176 20 0 CBADLP Cc1nc(N2CCN(C(=O)[C@@H]3OCC[C@@H]3[NH3+])CC2)cc[nH+]1 ZINC000638287367 357451936 /nfs/dbraw/zinc/45/19/36/357451936.db2.gz WUXYOCOGXSWZOI-WCQYABFASA-N 2 2 291.355 -0.450 20 0 CBADLP C[C@H](C(=O)N1CCC[C@@H]([NH+](C)C)CC1)N1CC[NH2+]CC1=O ZINC000638283739 357452065 /nfs/dbraw/zinc/45/20/65/357452065.db2.gz AZIGQUUULAMAHI-CHWSQXEVSA-N 2 2 296.415 -0.251 20 0 CBADLP C[C@H](C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21)N1CC[NH2+]CC1=O ZINC000638313110 357455069 /nfs/dbraw/zinc/45/50/69/357455069.db2.gz PJCZBSKQJXOQPY-UPJWGTAASA-N 2 2 294.399 -0.641 20 0 CBADLP C[C@H](C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21)N1CC[NH2+]CC1=O ZINC000638313110 357455073 /nfs/dbraw/zinc/45/50/73/357455073.db2.gz PJCZBSKQJXOQPY-UPJWGTAASA-N 2 2 294.399 -0.641 20 0 CBADLP CN(Cc1ccccc1)C[C@@H]([NH3+])C(=O)N(C)CC[NH3+] ZINC000638343040 357460146 /nfs/dbraw/zinc/46/01/46/357460146.db2.gz JWZHZLLMEGXZNW-CYBMUJFWSA-N 2 2 264.373 -0.137 20 0 CBADLP C[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH3+])N1CC[NH2+]CC1=O ZINC000638364603 357462388 /nfs/dbraw/zinc/46/23/88/357462388.db2.gz MULVEPBISPOVFD-GMTAPVOTSA-N 2 2 268.361 -0.807 20 0 CBADLP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638372445 357463466 /nfs/dbraw/zinc/46/34/66/357463466.db2.gz WPTALLYTQUUWBI-IVZWLZJFSA-N 2 2 256.350 -0.951 20 0 CBADLP C[C@H](C(=O)N1CC[C@H]([NH3+])C[C@H]1C)N1CC[NH2+]CC1=O ZINC000638397089 357468607 /nfs/dbraw/zinc/46/86/07/357468607.db2.gz NUDPGUXORRXTAD-MXWKQRLJSA-N 2 2 268.361 -0.855 20 0 CBADLP C[C@H](CCNC(=O)[C@H](C)N1CC[NH2+]CC1=O)[NH+](C)C ZINC000638408670 357470463 /nfs/dbraw/zinc/47/04/63/357470463.db2.gz IFFQXSPNPYXVJP-MNOVXSKESA-N 2 2 270.377 -0.737 20 0 CBADLP C[C@@H](CCNC(=O)[C@H](C)N1CC[NH2+]CC1=O)[NH+](C)C ZINC000638408671 357470607 /nfs/dbraw/zinc/47/06/07/357470607.db2.gz IFFQXSPNPYXVJP-QWRGUYRKSA-N 2 2 270.377 -0.737 20 0 CBADLP C[C@]1(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C[NH2+]CCO1 ZINC000638413877 357471350 /nfs/dbraw/zinc/47/13/50/357471350.db2.gz HLSWDJONQFMXIW-GXTWGEPZSA-N 2 2 283.372 -0.702 20 0 CBADLP C[C@@]1(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C[NH2+]CCO1 ZINC000638413879 357472011 /nfs/dbraw/zinc/47/20/11/357472011.db2.gz HLSWDJONQFMXIW-OCCSQVGLSA-N 2 2 283.372 -0.702 20 0 CBADLP CC[NH2+][C@H](C)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000638414911 357472242 /nfs/dbraw/zinc/47/22/42/357472242.db2.gz UUSSYWYZSFVICE-VXGBXAGGSA-N 2 2 255.362 -0.083 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC[NH2+]C[C@@H]1C(C)C ZINC000638488703 357484840 /nfs/dbraw/zinc/48/48/40/357484840.db2.gz IVKURGKWPCQBCB-CYBMUJFWSA-N 2 2 298.431 -0.101 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CC[NH2+]C[C@@H]1C(C)C ZINC000638488703 357484843 /nfs/dbraw/zinc/48/48/43/357484843.db2.gz IVKURGKWPCQBCB-CYBMUJFWSA-N 2 2 298.431 -0.101 20 0 CBADLP [NH3+]CCC(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000638730725 357526416 /nfs/dbraw/zinc/52/64/16/357526416.db2.gz CXANKCUTRJIKPQ-CYBMUJFWSA-N 2 2 278.356 -0.253 20 0 CBADLP [NH3+]CCC(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000638730725 357526419 /nfs/dbraw/zinc/52/64/19/357526419.db2.gz CXANKCUTRJIKPQ-CYBMUJFWSA-N 2 2 278.356 -0.253 20 0 CBADLP C[C@@H]([NH3+])C(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000638732337 357526449 /nfs/dbraw/zinc/52/64/49/357526449.db2.gz VTNURPJQOMFMRH-YPMHNXCESA-N 2 2 278.356 -0.254 20 0 CBADLP C[C@@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000638732337 357526452 /nfs/dbraw/zinc/52/64/52/357526452.db2.gz VTNURPJQOMFMRH-YPMHNXCESA-N 2 2 278.356 -0.254 20 0 CBADLP C[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000638732335 357526516 /nfs/dbraw/zinc/52/65/16/357526516.db2.gz VTNURPJQOMFMRH-DGCLKSJQSA-N 2 2 278.356 -0.254 20 0 CBADLP C[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000638732335 357526518 /nfs/dbraw/zinc/52/65/18/357526518.db2.gz VTNURPJQOMFMRH-DGCLKSJQSA-N 2 2 278.356 -0.254 20 0 CBADLP C[C@@H](C[NH3+])C(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000638731737 357526525 /nfs/dbraw/zinc/52/65/25/357526525.db2.gz QVUIISGADFOODO-JSGCOSHPSA-N 2 2 292.383 -0.007 20 0 CBADLP C[C@@H](C[NH3+])C(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000638731737 357526527 /nfs/dbraw/zinc/52/65/27/357526527.db2.gz QVUIISGADFOODO-JSGCOSHPSA-N 2 2 292.383 -0.007 20 0 CBADLP CN(CCNC(=O)[C@@H]([NH3+])CC[NH+](C)C)CC(F)F ZINC000638794468 357529394 /nfs/dbraw/zinc/52/93/94/357529394.db2.gz DKAZCWFULGPLOZ-VIFPVBQESA-N 2 2 266.336 -0.422 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000638814696 357532799 /nfs/dbraw/zinc/53/27/99/357532799.db2.gz AKYMSNGLEFVKLE-RYUDHWBXSA-N 3 2 256.394 -0.005 20 0 CBADLP Cn1c[nH+]cc1CC[N@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000639528189 357576597 /nfs/dbraw/zinc/57/65/97/357576597.db2.gz PGQOMPSYBGPFAC-CQSZACIVSA-N 2 2 282.388 -0.413 20 0 CBADLP Cn1c[nH+]cc1CC[N@@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000639528189 357576598 /nfs/dbraw/zinc/57/65/98/357576598.db2.gz PGQOMPSYBGPFAC-CQSZACIVSA-N 2 2 282.388 -0.413 20 0 CBADLP CCC1([NH+](C)C)CCN(C(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000638976197 357547730 /nfs/dbraw/zinc/54/77/30/357547730.db2.gz VODCJBABJJOMLC-UHFFFAOYSA-N 2 2 296.415 -0.249 20 0 CBADLP [NH3+]CCC(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000639004573 357550446 /nfs/dbraw/zinc/55/04/46/357550446.db2.gz OPUVEISSJKTTBS-UHFFFAOYSA-N 2 2 263.345 -0.488 20 0 CBADLP C[NH2+][C@@H](C)C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000639004283 357550455 /nfs/dbraw/zinc/55/04/55/357550455.db2.gz NBOZAOUEINHSAK-LBPRGKRZSA-N 2 2 277.372 -0.229 20 0 CBADLP C[NH2+]CC(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000639003596 357550525 /nfs/dbraw/zinc/55/05/25/357550525.db2.gz IYGGPGLPRBCUGS-UHFFFAOYSA-N 2 2 263.345 -0.617 20 0 CBADLP CCC[C@@]1(C)C(=O)NCCN1C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000639016862 357552340 /nfs/dbraw/zinc/55/23/40/357552340.db2.gz OOXDXYIKVQHHIJ-RISCZKNCSA-N 2 2 284.404 -0.217 20 0 CBADLP CCC[C@]1(C)C(=O)NCCN1C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000639016863 357552374 /nfs/dbraw/zinc/55/23/74/357552374.db2.gz OOXDXYIKVQHHIJ-SMDDNHRTSA-N 2 2 284.404 -0.217 20 0 CBADLP C[C@H](O)C(=O)N1CC[NH+](CCc2c[nH+]cn2C)CC1 ZINC000639555346 357577178 /nfs/dbraw/zinc/57/71/78/357577178.db2.gz IRBJINBLXUMRBI-NSHDSACASA-N 2 2 266.345 -0.512 20 0 CBADLP C[C@@H]1[C@@H](C)[N@H+](C)CCN1Cc1c[nH+]c(N)nc1N ZINC000639058585 357555854 /nfs/dbraw/zinc/55/58/54/357555854.db2.gz QMCSPIPAWPOSSI-RKDXNWHRSA-N 2 2 250.350 -0.174 20 0 CBADLP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1Cc1c[nH+]c(N)nc1N ZINC000639058585 357555858 /nfs/dbraw/zinc/55/58/58/357555858.db2.gz QMCSPIPAWPOSSI-RKDXNWHRSA-N 2 2 250.350 -0.174 20 0 CBADLP C[N@@H+]1CC[C@@]2(CCN(Cc3c[nH+]c(N)nc3N)C2)C1 ZINC000639204347 357561597 /nfs/dbraw/zinc/56/15/97/357561597.db2.gz RXIZHWSFXZFKMG-CYBMUJFWSA-N 2 2 262.361 -0.171 20 0 CBADLP C[N@H+]1CC[C@@]2(CCN(Cc3c[nH+]c(N)nc3N)C2)C1 ZINC000639204347 357561600 /nfs/dbraw/zinc/56/16/00/357561600.db2.gz RXIZHWSFXZFKMG-CYBMUJFWSA-N 2 2 262.361 -0.171 20 0 CBADLP C[NH+](C)CCN1CC[N@H+](Cc2ccc(=O)[nH]c2)CC1=O ZINC000639288016 357565123 /nfs/dbraw/zinc/56/51/23/357565123.db2.gz HFPCFJXKKHSASL-UHFFFAOYSA-N 2 2 278.356 -0.007 20 0 CBADLP C[NH+](C)CCN1CC[N@@H+](Cc2ccc(=O)[nH]c2)CC1=O ZINC000639288016 357565127 /nfs/dbraw/zinc/56/51/27/357565127.db2.gz HFPCFJXKKHSASL-UHFFFAOYSA-N 2 2 278.356 -0.007 20 0 CBADLP C[C@H]1C[N@H+](CCc2c[nH+]cn2C)CCN1S(C)(=O)=O ZINC000639569304 357578963 /nfs/dbraw/zinc/57/89/63/357578963.db2.gz FLLFPPJADHHBDN-NSHDSACASA-N 2 2 286.401 -0.072 20 0 CBADLP C[C@H]1C[N@@H+](CCc2c[nH+]cn2C)CCN1S(C)(=O)=O ZINC000639569304 357578966 /nfs/dbraw/zinc/57/89/66/357578966.db2.gz FLLFPPJADHHBDN-NSHDSACASA-N 2 2 286.401 -0.072 20 0 CBADLP Cn1c[nH+]cc1CC[N@H+](C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000639653224 357582485 /nfs/dbraw/zinc/58/24/85/357582485.db2.gz UMTINGAZGNDUEY-LBPRGKRZSA-N 2 2 286.401 -0.072 20 0 CBADLP Cn1c[nH+]cc1CC[N@@H+](C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000639653224 357582490 /nfs/dbraw/zinc/58/24/90/357582490.db2.gz UMTINGAZGNDUEY-LBPRGKRZSA-N 2 2 286.401 -0.072 20 0 CBADLP Cn1c[nH+]cc1CC[N@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000639653223 357582576 /nfs/dbraw/zinc/58/25/76/357582576.db2.gz UMTINGAZGNDUEY-GFCCVEGCSA-N 2 2 286.401 -0.072 20 0 CBADLP Cn1c[nH+]cc1CC[N@@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000639653223 357582581 /nfs/dbraw/zinc/58/25/81/357582581.db2.gz UMTINGAZGNDUEY-GFCCVEGCSA-N 2 2 286.401 -0.072 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](n2ccnn2)C1 ZINC000639706148 357586340 /nfs/dbraw/zinc/58/63/40/357586340.db2.gz ABXCGYPFDRLIQU-QWHCGFSZSA-N 2 2 283.376 -0.536 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](n2ccnn2)C1 ZINC000639706148 357586347 /nfs/dbraw/zinc/58/63/47/357586347.db2.gz ABXCGYPFDRLIQU-QWHCGFSZSA-N 2 2 283.376 -0.536 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](n2ccnn2)C1 ZINC000639706148 357586355 /nfs/dbraw/zinc/58/63/55/357586355.db2.gz ABXCGYPFDRLIQU-QWHCGFSZSA-N 2 2 283.376 -0.536 20 0 CBADLP C[NH+](C)CCN1CC[N@H+](C[C@H]2CCc3ncnn32)CC1=O ZINC000639719653 357587635 /nfs/dbraw/zinc/58/76/35/357587635.db2.gz MCRPBPLECWHWCH-GFCCVEGCSA-N 2 2 292.387 -0.529 20 0 CBADLP C[NH+](C)CCN1CC[N@@H+](C[C@H]2CCc3ncnn32)CC1=O ZINC000639719653 357587640 /nfs/dbraw/zinc/58/76/40/357587640.db2.gz MCRPBPLECWHWCH-GFCCVEGCSA-N 2 2 292.387 -0.529 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](c2cc(=O)[nH]c(=O)[nH]2)C1 ZINC000639712878 357588073 /nfs/dbraw/zinc/58/80/73/357588073.db2.gz DHEHGTCLDXHYEO-MNOVXSKESA-N 2 2 296.371 -0.010 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](c2cc(=O)[nH]c(=O)[nH]2)C1 ZINC000639712878 357588075 /nfs/dbraw/zinc/58/80/75/357588075.db2.gz DHEHGTCLDXHYEO-MNOVXSKESA-N 2 2 296.371 -0.010 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](c2cc(=O)[nH]c(=O)[nH]2)C1 ZINC000639712878 357588076 /nfs/dbraw/zinc/58/80/76/357588076.db2.gz DHEHGTCLDXHYEO-MNOVXSKESA-N 2 2 296.371 -0.010 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](c2cc(=O)[nH]c(=O)[nH]2)C1 ZINC000639712878 357588078 /nfs/dbraw/zinc/58/80/78/357588078.db2.gz DHEHGTCLDXHYEO-MNOVXSKESA-N 2 2 296.371 -0.010 20 0 CBADLP CCN1CC[C@H]([N@@H+]2CCC[C@](O)(C[NH+](C)C)C2)C1=O ZINC000639761620 357596107 /nfs/dbraw/zinc/59/61/07/357596107.db2.gz GULWFKAWARFUOT-JSGCOSHPSA-N 2 2 269.389 -0.004 20 0 CBADLP CCN1CC[C@H]([N@H+]2CCC[C@](O)(C[NH+](C)C)C2)C1=O ZINC000639761620 357596110 /nfs/dbraw/zinc/59/61/10/357596110.db2.gz GULWFKAWARFUOT-JSGCOSHPSA-N 2 2 269.389 -0.004 20 0 CBADLP C[NH+](C)C[C@]1(O)CCC[N@H+](CCN2CCOCC2)C1 ZINC000639761041 357596338 /nfs/dbraw/zinc/59/63/38/357596338.db2.gz FELMUERQVGGKFO-CQSZACIVSA-N 2 2 271.405 -0.293 20 0 CBADLP C[NH+](C)C[C@]1(O)CCC[N@@H+](CCN2CCOCC2)C1 ZINC000639761041 357596340 /nfs/dbraw/zinc/59/63/40/357596340.db2.gz FELMUERQVGGKFO-CQSZACIVSA-N 2 2 271.405 -0.293 20 0 CBADLP C[NH+](C)C[C@]1(O)CCCN(CC[NH+]2CCOCC2)C1 ZINC000639761041 357596342 /nfs/dbraw/zinc/59/63/42/357596342.db2.gz FELMUERQVGGKFO-CQSZACIVSA-N 2 2 271.405 -0.293 20 0 CBADLP CNS(=O)(=O)CCC[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639761071 357596498 /nfs/dbraw/zinc/59/64/98/357596498.db2.gz FXELNAUTDDPFBT-LBPRGKRZSA-N 2 2 293.433 -0.686 20 0 CBADLP CNS(=O)(=O)CCC[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639761071 357596500 /nfs/dbraw/zinc/59/65/00/357596500.db2.gz FXELNAUTDDPFBT-LBPRGKRZSA-N 2 2 293.433 -0.686 20 0 CBADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH+]1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000639843020 357603179 /nfs/dbraw/zinc/60/31/79/357603179.db2.gz CMBICLQYUZDGPD-JHJVBQTASA-N 2 2 296.415 -0.232 20 0 CBADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH+]1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000639843020 357603184 /nfs/dbraw/zinc/60/31/84/357603184.db2.gz CMBICLQYUZDGPD-JHJVBQTASA-N 2 2 296.415 -0.232 20 0 CBADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@H](O)C[C@@]1(C)CO ZINC000639848845 357606598 /nfs/dbraw/zinc/60/65/98/357606598.db2.gz JLHSGVDGQMQZOC-AGIUHOORSA-N 2 2 260.378 -0.495 20 0 CBADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](O)C[C@@]1(C)CO ZINC000639848845 357606603 /nfs/dbraw/zinc/60/66/03/357606603.db2.gz JLHSGVDGQMQZOC-AGIUHOORSA-N 2 2 260.378 -0.495 20 0 CBADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](O)C[C@@]1(C)CO ZINC000639848845 357606607 /nfs/dbraw/zinc/60/66/07/357606607.db2.gz JLHSGVDGQMQZOC-AGIUHOORSA-N 2 2 260.378 -0.495 20 0 CBADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1C[C@H](O)C[C@@]1(C)CO ZINC000639848845 357606612 /nfs/dbraw/zinc/60/66/12/357606612.db2.gz JLHSGVDGQMQZOC-AGIUHOORSA-N 2 2 260.378 -0.495 20 0 CBADLP C[C@@H]1C[NH+](CCN2CC[N@H+](C)C[C@H]2CO)C[C@@H](C)O1 ZINC000639866265 357613173 /nfs/dbraw/zinc/61/31/73/357613173.db2.gz DCTDJNXJDZAKRX-MCIONIFRSA-N 2 2 271.405 -0.296 20 0 CBADLP C[C@@H]1C[NH+](CCN2CC[N@@H+](C)C[C@H]2CO)C[C@@H](C)O1 ZINC000639866265 357613175 /nfs/dbraw/zinc/61/31/75/357613175.db2.gz DCTDJNXJDZAKRX-MCIONIFRSA-N 2 2 271.405 -0.296 20 0 CBADLP C[NH+]1CCN(C(=O)Cn2cc(C[NH+]3CCCC3)nn2)CC1 ZINC000640837083 357665979 /nfs/dbraw/zinc/66/59/79/357665979.db2.gz IPMFSPANQODOQO-UHFFFAOYSA-N 2 2 292.387 -0.352 20 0 CBADLP CC[NH+](CC)Cc1cn(CC(=O)N2CC[NH+](C)CC2)nn1 ZINC000640836437 357666134 /nfs/dbraw/zinc/66/61/34/357666134.db2.gz DSEUYLWEWLZDRJ-UHFFFAOYSA-N 2 2 294.403 -0.106 20 0 CBADLP c1c(C[C@@H]2CC[NH2+]C2)nnn1CC[NH+]1CCOCC1 ZINC000641032625 357672185 /nfs/dbraw/zinc/67/21/85/357672185.db2.gz HMRCBQQAWOZKCQ-LBPRGKRZSA-N 2 2 265.361 -0.238 20 0 CBADLP c1c(CC[NH+]2CCOCC2)nnn1CC[NH+]1CCOCC1 ZINC000641033219 357672237 /nfs/dbraw/zinc/67/22/37/357672237.db2.gz KXXNGMFWKMUCDZ-UHFFFAOYSA-N 2 2 295.387 -0.515 20 0 CBADLP C[NH2+]C(C)(C)c1cn(C[C@H](O)C[NH+]2CCOCC2)nn1 ZINC000641208346 357679362 /nfs/dbraw/zinc/67/93/62/357679362.db2.gz QHZIXKINCWJBBW-LLVKDONJSA-N 2 2 283.376 -0.574 20 0 CBADLP C[C@@H]1CN(CC[N@H+](C)CC(=O)N2CC[NH+](C)CC2)CCO1 ZINC000640051552 357632975 /nfs/dbraw/zinc/63/29/75/357632975.db2.gz QLNYXMJGBFACLF-CQSZACIVSA-N 2 2 298.431 -0.587 20 0 CBADLP C[C@@H]1CN(CC[N@@H+](C)CC(=O)N2CC[NH+](C)CC2)CCO1 ZINC000640051552 357632979 /nfs/dbraw/zinc/63/29/79/357632979.db2.gz QLNYXMJGBFACLF-CQSZACIVSA-N 2 2 298.431 -0.587 20 0 CBADLP C[N@H+](CCC(C)(C)O)CC(=O)N1CC[NH+](C)CC1 ZINC000640058160 357633096 /nfs/dbraw/zinc/63/30/96/357633096.db2.gz JQEQHMLHOJCMPI-UHFFFAOYSA-N 2 2 257.378 -0.147 20 0 CBADLP C[N@@H+](CCC(C)(C)O)CC(=O)N1CC[NH+](C)CC1 ZINC000640058160 357633097 /nfs/dbraw/zinc/63/30/97/357633097.db2.gz JQEQHMLHOJCMPI-UHFFFAOYSA-N 2 2 257.378 -0.147 20 0 CBADLP CC[C@@](C)(O)C[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640051169 357633211 /nfs/dbraw/zinc/63/32/11/357633211.db2.gz KFTFTVOSCMGQFJ-CYBMUJFWSA-N 2 2 257.378 -0.147 20 0 CBADLP CC[C@@](C)(O)C[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640051169 357633212 /nfs/dbraw/zinc/63/32/12/357633212.db2.gz KFTFTVOSCMGQFJ-CYBMUJFWSA-N 2 2 257.378 -0.147 20 0 CBADLP C[N@@H+]1C[C@H]2CCN(S(=O)(=O)CCn3cc[nH+]c3)[C@H]2C1 ZINC000641508666 357714667 /nfs/dbraw/zinc/71/46/67/357714667.db2.gz ROYFESLYVKOIFL-NEPJUHHUSA-N 2 2 284.385 -0.151 20 0 CBADLP C[N@H+]1C[C@H]2CCN(S(=O)(=O)CCn3cc[nH+]c3)[C@H]2C1 ZINC000641508666 357714669 /nfs/dbraw/zinc/71/46/69/357714669.db2.gz ROYFESLYVKOIFL-NEPJUHHUSA-N 2 2 284.385 -0.151 20 0 CBADLP COCC[N@H+](C)Cc1cn(C[C@@H](O)C[NH+](C)C2CC2)nn1 ZINC000641220976 357681697 /nfs/dbraw/zinc/68/16/97/357681697.db2.gz DOBZQWIXYVBHES-AWEZNQCLSA-N 2 2 297.403 -0.189 20 0 CBADLP COCC[N@@H+](C)Cc1cn(C[C@@H](O)C[NH+](C)C2CC2)nn1 ZINC000641220976 357681702 /nfs/dbraw/zinc/68/17/02/357681702.db2.gz DOBZQWIXYVBHES-AWEZNQCLSA-N 2 2 297.403 -0.189 20 0 CBADLP COCC[NH+](C)Cc1cn(C[C@@H](O)C[N@H+](C)C2CC2)nn1 ZINC000641220976 357681707 /nfs/dbraw/zinc/68/17/07/357681707.db2.gz DOBZQWIXYVBHES-AWEZNQCLSA-N 2 2 297.403 -0.189 20 0 CBADLP COCC[NH+](C)Cc1cn(C[C@@H](O)C[N@@H+](C)C2CC2)nn1 ZINC000641220976 357681711 /nfs/dbraw/zinc/68/17/11/357681711.db2.gz DOBZQWIXYVBHES-AWEZNQCLSA-N 2 2 297.403 -0.189 20 0 CBADLP C[N@H+](CCNS(=O)(=O)CCn1cc[nH+]c1)C1CC1 ZINC000641295084 357689283 /nfs/dbraw/zinc/68/92/83/357689283.db2.gz NRXLDUXYKMMVMC-UHFFFAOYSA-N 2 2 272.374 -0.103 20 0 CBADLP C[N@@H+](CCNS(=O)(=O)CCn1cc[nH+]c1)C1CC1 ZINC000641295084 357689285 /nfs/dbraw/zinc/68/92/85/357689285.db2.gz NRXLDUXYKMMVMC-UHFFFAOYSA-N 2 2 272.374 -0.103 20 0 CBADLP C[C@@H](CC(N)=O)[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641786581 357741708 /nfs/dbraw/zinc/74/17/08/357741708.db2.gz LJCWHFRMCMSXDG-KBPBESRZSA-N 2 2 298.431 -0.364 20 0 CBADLP CC[NH+](CC)CC[C@@H](CO)[NH2+]Cc1cnnn1C ZINC000641771374 357741865 /nfs/dbraw/zinc/74/18/65/357741865.db2.gz GRPMLOMKPIQLFS-NSHDSACASA-N 2 2 255.366 -0.003 20 0 CBADLP C[NH+]1CCN(C(=O)CC[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)CC1 ZINC000641800847 357742491 /nfs/dbraw/zinc/74/24/91/357742491.db2.gz HEINCJWLTGMRBS-RYUDHWBXSA-N 3 2 268.405 -0.134 20 0 CBADLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](CCN2C(=O)CNC2=O)[C@@H]1C ZINC000641804057 357743835 /nfs/dbraw/zinc/74/38/35/357743835.db2.gz AGBVMNASGVRPTB-MXWKQRLJSA-N 2 2 268.361 -0.014 20 0 CBADLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](CCN2C(=O)CNC2=O)[C@@H]1C ZINC000641804057 357743840 /nfs/dbraw/zinc/74/38/40/357743840.db2.gz AGBVMNASGVRPTB-MXWKQRLJSA-N 2 2 268.361 -0.014 20 0 CBADLP O=C(NCC[NH+]1Cc2ccccc2C1)C(=O)NC1C[NH2+]C1 ZINC000642327693 357753174 /nfs/dbraw/zinc/75/31/74/357753174.db2.gz XNHJUJQDGYATGU-UHFFFAOYSA-N 2 2 288.351 -0.794 20 0 CBADLP C[C@H]([NH3+])CNC(=O)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000642789292 357763392 /nfs/dbraw/zinc/76/33/92/357763392.db2.gz ZPQXXDYJKMFHCH-GXFFZTMASA-N 2 2 290.367 -0.247 20 0 CBADLP C[C@H]([NH3+])CNC(=O)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000642789292 357763396 /nfs/dbraw/zinc/76/33/96/357763396.db2.gz ZPQXXDYJKMFHCH-GXFFZTMASA-N 2 2 290.367 -0.247 20 0 CBADLP O=C(NCC[NH2+]C1CC1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000642919052 357770308 /nfs/dbraw/zinc/77/03/08/357770308.db2.gz MLPWLNAIZUXGDY-UHFFFAOYSA-N 2 2 280.372 -0.839 20 0 CBADLP C[C@@H]([NH2+]CC(=O)N1CC[NH2+]CC1)[C@H]1CCCC[NH2+]1 ZINC000643500383 357785693 /nfs/dbraw/zinc/78/56/93/357785693.db2.gz OVIIFZCJBCPBMO-VXGBXAGGSA-N 3 2 254.378 -0.462 20 0 CBADLP CNC(=O)NC(=O)C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000363414192 283356930 /nfs/dbraw/zinc/35/69/30/283356930.db2.gz LDCCMFDMHCLSRB-UTUOFQBUSA-N 2 2 280.372 -0.142 20 0 CBADLP CNC(=O)NC(=O)C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000363414192 283356936 /nfs/dbraw/zinc/35/69/36/283356936.db2.gz LDCCMFDMHCLSRB-UTUOFQBUSA-N 2 2 280.372 -0.142 20 0 CBADLP CNC(=O)NC(=O)C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363414192 283356941 /nfs/dbraw/zinc/35/69/41/283356941.db2.gz LDCCMFDMHCLSRB-UTUOFQBUSA-N 2 2 280.372 -0.142 20 0 CBADLP CNC(=O)NC(=O)C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363414192 283356944 /nfs/dbraw/zinc/35/69/44/283356944.db2.gz LDCCMFDMHCLSRB-UTUOFQBUSA-N 2 2 280.372 -0.142 20 0 CBADLP CNC(=O)NC(=O)C[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000420359743 283357551 /nfs/dbraw/zinc/35/75/51/283357551.db2.gz KSPBTEZMGTXALW-JTQLQIEISA-N 2 2 256.350 -0.061 20 0 CBADLP C[C@H](CC(N)=O)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000341891128 216140523 /nfs/dbraw/zinc/14/05/23/216140523.db2.gz GZXGGVWAAQMSNG-ZJUUUORDSA-N 2 2 256.350 -0.820 20 0 CBADLP C[C@H](CC(N)=O)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000341891128 216140526 /nfs/dbraw/zinc/14/05/26/216140526.db2.gz GZXGGVWAAQMSNG-ZJUUUORDSA-N 2 2 256.350 -0.820 20 0 CBADLP C[C@@H]([NH3+])C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000515060621 296020209 /nfs/dbraw/zinc/02/02/09/296020209.db2.gz VZHTXNHXOSTHNZ-NEPJUHHUSA-N 3 2 254.378 -0.523 20 0 CBADLP C[C@@H]([NH3+])C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000515060621 296020212 /nfs/dbraw/zinc/02/02/12/296020212.db2.gz VZHTXNHXOSTHNZ-NEPJUHHUSA-N 3 2 254.378 -0.523 20 0 CBADLP C[C@@H]([NH3+])[C@H](C)C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000493895883 296025714 /nfs/dbraw/zinc/02/57/14/296025714.db2.gz AZCASANZTWBTEK-VHSXEESVSA-N 2 2 270.377 -0.622 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+](CCO)Cc2cccnc2)CC1 ZINC000180545461 189261521 /nfs/dbraw/zinc/26/15/21/189261521.db2.gz PRPSJWQHMLAYDU-UHFFFAOYSA-N 2 2 292.383 -0.350 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+](CCO)Cc2cccnc2)CC1 ZINC000180545461 189261522 /nfs/dbraw/zinc/26/15/22/189261522.db2.gz PRPSJWQHMLAYDU-UHFFFAOYSA-N 2 2 292.383 -0.350 20 0 CBADLP C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181043854 189286906 /nfs/dbraw/zinc/28/69/06/189286906.db2.gz UPAOYBNRTWTVOK-MJBXVCDLSA-N 2 2 297.399 -0.314 20 0 CBADLP C[NH+](C)CCNC(=O)Cn1cc(NCc2[nH]cc[nH+]2)cn1 ZINC000342447547 216354316 /nfs/dbraw/zinc/35/43/16/216354316.db2.gz SJJZAXYKJZOZIY-UHFFFAOYSA-N 2 2 291.359 -0.104 20 0 CBADLP COC1CC([NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000546716430 283770032 /nfs/dbraw/zinc/77/00/32/283770032.db2.gz XVXYTFTWOLKQFA-MOKVOYLWSA-N 2 2 297.399 -0.314 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H](CO)C[NH+]2CCCCC2)C1 ZINC000330607620 203032970 /nfs/dbraw/zinc/03/29/70/203032970.db2.gz LXHNTZNIHUDNSC-OLZOCXBDSA-N 2 2 285.388 -0.720 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H](CO)C[NH+]2CCCCC2)C1 ZINC000330607620 203032973 /nfs/dbraw/zinc/03/29/73/203032973.db2.gz LXHNTZNIHUDNSC-OLZOCXBDSA-N 2 2 285.388 -0.720 20 0 CBADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2C(=O)NC)CC1 ZINC000330722503 203154388 /nfs/dbraw/zinc/15/43/88/203154388.db2.gz YBVVDILVVWLVRZ-CYBMUJFWSA-N 2 2 296.415 -0.203 20 0 CBADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2C(=O)NC)CC1 ZINC000330722503 203154390 /nfs/dbraw/zinc/15/43/90/203154390.db2.gz YBVVDILVVWLVRZ-CYBMUJFWSA-N 2 2 296.415 -0.203 20 0 CBADLP COC(=O)C[C@]1([NH2+]CC(=O)N2CC[NH+](C)CC2)CCOC1 ZINC000330924893 203393374 /nfs/dbraw/zinc/39/33/74/203393374.db2.gz VFTZLTPOVMIFFB-CQSZACIVSA-N 2 2 299.371 -0.928 20 0 CBADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CC(=O)NC(N)=O)C1 ZINC000331853019 204233521 /nfs/dbraw/zinc/23/35/21/204233521.db2.gz HRBYDQOIZIETMR-LLVKDONJSA-N 2 2 268.361 -0.155 20 0 CBADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CC(=O)NC(N)=O)C1 ZINC000331853019 204233526 /nfs/dbraw/zinc/23/35/26/204233526.db2.gz HRBYDQOIZIETMR-LLVKDONJSA-N 2 2 268.361 -0.155 20 0 CBADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC000331853019 204233532 /nfs/dbraw/zinc/23/35/32/204233532.db2.gz HRBYDQOIZIETMR-LLVKDONJSA-N 2 2 268.361 -0.155 20 0 CBADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC000331853019 204233536 /nfs/dbraw/zinc/23/35/36/204233536.db2.gz HRBYDQOIZIETMR-LLVKDONJSA-N 2 2 268.361 -0.155 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000344138056 217068792 /nfs/dbraw/zinc/06/87/92/217068792.db2.gz SSUCPTWSCLOFPT-CMPLNLGQSA-N 2 2 253.346 -0.330 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000344138056 217068795 /nfs/dbraw/zinc/06/87/95/217068795.db2.gz SSUCPTWSCLOFPT-CMPLNLGQSA-N 2 2 253.346 -0.330 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000344138056 217068801 /nfs/dbraw/zinc/06/88/01/217068801.db2.gz SSUCPTWSCLOFPT-CMPLNLGQSA-N 2 2 253.346 -0.330 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000344138056 217068804 /nfs/dbraw/zinc/06/88/04/217068804.db2.gz SSUCPTWSCLOFPT-CMPLNLGQSA-N 2 2 253.346 -0.330 20 0 CBADLP C[C@@H]1[C@@H]([NH2+]Cc2cn(C)c(=O)n(C)c2=O)CCC[N@@H+]1C ZINC000344324040 217149350 /nfs/dbraw/zinc/14/93/50/217149350.db2.gz FRZAUYJTBZUSMQ-PWSUYJOCSA-N 2 2 280.372 -0.344 20 0 CBADLP C[C@@H]1[C@@H]([NH2+]Cc2cn(C)c(=O)n(C)c2=O)CCC[N@H+]1C ZINC000344324040 217149351 /nfs/dbraw/zinc/14/93/51/217149351.db2.gz FRZAUYJTBZUSMQ-PWSUYJOCSA-N 2 2 280.372 -0.344 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1[NH2+]CCO[C@@H]1C)C[NH+]1CCOCC1 ZINC000344431131 217189124 /nfs/dbraw/zinc/18/91/24/217189124.db2.gz CLKQEJCDGFPCOE-JHJVBQTASA-N 2 2 285.388 -0.552 20 0 CBADLP C[C@H](CNC(=O)[C@H]1[NH2+]CCO[C@@H]1C)C[NH+]1CCOCC1 ZINC000344431133 217190274 /nfs/dbraw/zinc/19/02/74/217190274.db2.gz CLKQEJCDGFPCOE-UPJWGTAASA-N 2 2 285.388 -0.552 20 0 CBADLP C[C@H](CC[NH+]1CCOCC1)NC(=O)[C@H]1[NH2+]CCO[C@H]1C ZINC000344444704 217192269 /nfs/dbraw/zinc/19/22/69/217192269.db2.gz MWUYVCWYFIJAOM-AGIUHOORSA-N 2 2 285.388 -0.410 20 0 CBADLP CC(C)[C@H](CNC(=O)[C@H]1[NH2+]CCO[C@@H]1C)[NH+]1CCOCC1 ZINC000344492099 217210591 /nfs/dbraw/zinc/21/05/91/217210591.db2.gz PKKHMKOVLIDLFD-RDBSUJKOSA-N 2 2 299.415 -0.164 20 0 CBADLP C[C@H](C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1)[NH+]1CCOCC1 ZINC000353393668 220060515 /nfs/dbraw/zinc/06/05/15/220060515.db2.gz BFVJDKOXNFUFMX-UPJWGTAASA-N 2 2 267.373 -0.225 20 0 CBADLP O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)N[C@@H]1CCC[NH2+]C1 ZINC000333191724 205105539 /nfs/dbraw/zinc/10/55/39/205105539.db2.gz ABVPOPDSXBPEAV-UPJWGTAASA-N 2 2 282.388 -0.099 20 0 CBADLP O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)N[C@@H]1CCC[NH2+]C1 ZINC000333191724 205105542 /nfs/dbraw/zinc/10/55/42/205105542.db2.gz ABVPOPDSXBPEAV-UPJWGTAASA-N 2 2 282.388 -0.099 20 0 CBADLP C[C@H](CO)[N@H+](C)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000163189215 372823829 /nfs/dbraw/zinc/82/38/29/372823829.db2.gz YGEDESNCRMOWIJ-GFCCVEGCSA-N 2 2 287.404 -0.474 20 0 CBADLP C[C@H](CO)[N@@H+](C)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000163189215 372823836 /nfs/dbraw/zinc/82/38/36/372823836.db2.gz YGEDESNCRMOWIJ-GFCCVEGCSA-N 2 2 287.404 -0.474 20 0 CBADLP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CC[NH+](CCO)CC2)C1(C)C ZINC000133943691 372800437 /nfs/dbraw/zinc/80/04/37/372800437.db2.gz RFRJCVNBEXPFAQ-DOMZBBRYSA-N 2 2 299.415 -0.345 20 0 CBADLP Cc1ccn2cc(CNC(=O)[C@H]([NH3+])CC(N)=O)[nH+]c2c1 ZINC000353434596 220080942 /nfs/dbraw/zinc/08/09/42/220080942.db2.gz CDIHPXKTYMGUFL-SNVBAGLBSA-N 2 2 275.312 -0.538 20 0 CBADLP COC(=O)CNC(=O)C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000158065765 372808011 /nfs/dbraw/zinc/80/80/11/372808011.db2.gz COMWYPSAOKUVCM-NSHDSACASA-N 2 2 271.361 -0.451 20 0 CBADLP COC(=O)CNC(=O)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000158065765 372808019 /nfs/dbraw/zinc/80/80/19/372808019.db2.gz COMWYPSAOKUVCM-NSHDSACASA-N 2 2 271.361 -0.451 20 0 CBADLP COC(=O)CNC(=O)C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000158065765 372808024 /nfs/dbraw/zinc/80/80/24/372808024.db2.gz COMWYPSAOKUVCM-NSHDSACASA-N 2 2 271.361 -0.451 20 0 CBADLP COC(=O)CNC(=O)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000158065765 372808029 /nfs/dbraw/zinc/80/80/29/372808029.db2.gz COMWYPSAOKUVCM-NSHDSACASA-N 2 2 271.361 -0.451 20 0 CBADLP C[C@H]([NH3+])[C@H](C)C(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC000156635456 372809470 /nfs/dbraw/zinc/80/94/70/372809470.db2.gz GIAQCYJELMZTIV-RYUDHWBXSA-N 2 2 284.404 -0.408 20 0 CBADLP C[C@H]([NH3+])[C@H](C)C(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC000156635456 372809479 /nfs/dbraw/zinc/80/94/79/372809479.db2.gz GIAQCYJELMZTIV-RYUDHWBXSA-N 2 2 284.404 -0.408 20 0 CBADLP C[C@@H]([NH3+])C(=O)N1CCC[C@@H]1C(=O)N1CC[NH+](C)CC1 ZINC000157340457 372810107 /nfs/dbraw/zinc/81/01/07/372810107.db2.gz FOQYSBNQABKDAR-GHMZBOCLSA-N 2 2 268.361 -0.901 20 0 CBADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)[NH3+])CC1 ZINC000353470019 220100415 /nfs/dbraw/zinc/10/04/15/220100415.db2.gz IGEYKTZPRIDAIE-JTQLQIEISA-N 2 2 256.350 -0.996 20 0 CBADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C)[NH3+])CC1 ZINC000353470019 220100417 /nfs/dbraw/zinc/10/04/17/220100417.db2.gz IGEYKTZPRIDAIE-JTQLQIEISA-N 2 2 256.350 -0.996 20 0 CBADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000353470818 220101844 /nfs/dbraw/zinc/10/18/44/220101844.db2.gz LBZNLMHPKCVOBL-ZDUSSCGKSA-N 2 2 284.404 -0.360 20 0 CBADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000353470818 220101848 /nfs/dbraw/zinc/10/18/48/220101848.db2.gz LBZNLMHPKCVOBL-ZDUSSCGKSA-N 2 2 284.404 -0.360 20 0 CBADLP CN(C)C(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000227805450 372877089 /nfs/dbraw/zinc/87/70/89/372877089.db2.gz TXBKZDKBTLWQAQ-CHWSQXEVSA-N 2 2 296.415 -0.264 20 0 CBADLP CN(C)C(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000227805450 372877097 /nfs/dbraw/zinc/87/70/97/372877097.db2.gz TXBKZDKBTLWQAQ-CHWSQXEVSA-N 2 2 296.415 -0.264 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H]3CC[C@@H](O)[C@@H]3C2)CC1 ZINC000228105579 372877951 /nfs/dbraw/zinc/87/79/51/372877951.db2.gz JMCYQVYBBBMFOT-YNEHKIRRSA-N 2 2 267.373 -0.537 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2C[C@@H]3CC[C@@H](O)[C@@H]3C2)CC1 ZINC000228105579 372877965 /nfs/dbraw/zinc/87/79/65/372877965.db2.gz JMCYQVYBBBMFOT-YNEHKIRRSA-N 2 2 267.373 -0.537 20 0 CBADLP NC(=O)[C@H]1CCC[N@@H+]1C/C=C\C[NH+]1CCC[C@H]1C(N)=O ZINC000255495442 372901695 /nfs/dbraw/zinc/90/16/95/372901695.db2.gz JESWDCONLJRVHT-ZLLARURESA-N 2 2 280.372 -0.558 20 0 CBADLP NC(=O)[C@H]1CCC[N@H+]1C/C=C\C[NH+]1CCC[C@H]1C(N)=O ZINC000255495442 372901714 /nfs/dbraw/zinc/90/17/14/372901714.db2.gz JESWDCONLJRVHT-ZLLARURESA-N 2 2 280.372 -0.558 20 0 CBADLP NC(=O)[C@H]1CCC[NH+]1C/C=C\C[N@@H+]1CCC[C@H]1C(N)=O ZINC000255495442 372901722 /nfs/dbraw/zinc/90/17/22/372901722.db2.gz JESWDCONLJRVHT-ZLLARURESA-N 2 2 280.372 -0.558 20 0 CBADLP NC(=O)[C@H]1CCC[NH+]1C/C=C\C[N@H+]1CCC[C@H]1C(N)=O ZINC000255495442 372901729 /nfs/dbraw/zinc/90/17/29/372901729.db2.gz JESWDCONLJRVHT-ZLLARURESA-N 2 2 280.372 -0.558 20 0 CBADLP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC000253203023 372900137 /nfs/dbraw/zinc/90/01/37/372900137.db2.gz FFGYNTFSTCHUDG-AGIUHOORSA-N 2 2 285.388 -0.770 20 0 CBADLP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC000253203023 372900147 /nfs/dbraw/zinc/90/01/47/372900147.db2.gz FFGYNTFSTCHUDG-AGIUHOORSA-N 2 2 285.388 -0.770 20 0 CBADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)[C@H](C)C1 ZINC000253203023 372900157 /nfs/dbraw/zinc/90/01/57/372900157.db2.gz FFGYNTFSTCHUDG-AGIUHOORSA-N 2 2 285.388 -0.770 20 0 CBADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H](C)C1 ZINC000253203023 372900169 /nfs/dbraw/zinc/90/01/69/372900169.db2.gz FFGYNTFSTCHUDG-AGIUHOORSA-N 2 2 285.388 -0.770 20 0 CBADLP C[C@H](O)CC[NH+](C)CC(O)C[N@@H+](C)CC[C@H](C)O ZINC000245973663 372883477 /nfs/dbraw/zinc/88/34/77/372883477.db2.gz OIYFBXKVYGPGBN-RYUDHWBXSA-N 2 2 262.394 -0.247 20 0 CBADLP C[C@H](O)CC[NH+](C)CC(O)C[N@H+](C)CC[C@H](C)O ZINC000245973663 372883485 /nfs/dbraw/zinc/88/34/85/372883485.db2.gz OIYFBXKVYGPGBN-RYUDHWBXSA-N 2 2 262.394 -0.247 20 0 CBADLP CO[C@H](C[NH3+])CC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000262930960 372910523 /nfs/dbraw/zinc/91/05/23/372910523.db2.gz SRVUVLOGMNNTHB-UTUOFQBUSA-N 2 2 273.377 -0.424 20 0 CBADLP Cc1ccc(NCCCNC(=O)[C@H]([NH3+])CC(N)=O)[nH+]c1 ZINC000269717085 372920269 /nfs/dbraw/zinc/92/02/69/372920269.db2.gz PDRXNDVOQWLDCZ-SNVBAGLBSA-N 2 2 279.344 -0.489 20 0 CBADLP C[C@@H](NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)[C@H](C)[NH+]1CCOCC1 ZINC000333370986 205262651 /nfs/dbraw/zinc/26/26/51/205262651.db2.gz MKIYLECBTSJDJC-RQJABVFESA-N 2 2 296.415 -0.044 20 0 CBADLP [NH3+]C1(C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)CC1 ZINC000353498520 220119299 /nfs/dbraw/zinc/11/92/99/220119299.db2.gz CKIZWJANJJCASC-UHFFFAOYSA-N 2 2 294.399 -0.366 20 0 CBADLP [NH3+]C1(C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)CC1 ZINC000353498520 220119302 /nfs/dbraw/zinc/11/93/02/220119302.db2.gz CKIZWJANJJCASC-UHFFFAOYSA-N 2 2 294.399 -0.366 20 0 CBADLP CC1(C)COCC[N@@H+]1CCNC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000333378253 205269702 /nfs/dbraw/zinc/26/97/02/205269702.db2.gz NGSISBGBJQRNII-BETUJISGSA-N 2 2 296.415 -0.042 20 0 CBADLP CC1(C)COCC[N@H+]1CCNC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000333378253 205269705 /nfs/dbraw/zinc/26/97/05/205269705.db2.gz NGSISBGBJQRNII-BETUJISGSA-N 2 2 296.415 -0.042 20 0 CBADLP C[C@H](O)C[NH+]1CCN(C(=O)NCc2c[nH+]cn2C)CC1 ZINC000292202492 372959622 /nfs/dbraw/zinc/95/96/22/372959622.db2.gz CNGABUWMVZNPJJ-NSHDSACASA-N 2 2 281.360 -0.372 20 0 CBADLP C[C@H]([C@H](C)NC(=O)N[C@H]1CC[NH2+]C1)[NH+]1CCOCC1 ZINC000333403288 205293754 /nfs/dbraw/zinc/29/37/54/205293754.db2.gz QGAKKAJPQSTOMJ-TUAOUCFPSA-N 2 2 270.377 -0.243 20 0 CBADLP CN1C(=O)N[C@]2(CC[N@H+](C[C@@H](O)C[NH+](C)C3CC3)C2)C1=O ZINC000329826003 372982062 /nfs/dbraw/zinc/98/20/62/372982062.db2.gz IIJBCJMECLDRRO-FZMZJTMJSA-N 2 2 296.371 -0.728 20 0 CBADLP CN1C(=O)N[C@]2(CC[N@@H+](C[C@@H](O)C[NH+](C)C3CC3)C2)C1=O ZINC000329826003 372982066 /nfs/dbraw/zinc/98/20/66/372982066.db2.gz IIJBCJMECLDRRO-FZMZJTMJSA-N 2 2 296.371 -0.728 20 0 CBADLP CN1C(=O)N[C@]2(CC[NH+](C[C@@H](O)C[N@H+](C)C3CC3)C2)C1=O ZINC000329826003 372982071 /nfs/dbraw/zinc/98/20/71/372982071.db2.gz IIJBCJMECLDRRO-FZMZJTMJSA-N 2 2 296.371 -0.728 20 0 CBADLP CN1C(=O)N[C@]2(CC[NH+](C[C@@H](O)C[N@@H+](C)C3CC3)C2)C1=O ZINC000329826003 372982077 /nfs/dbraw/zinc/98/20/77/372982077.db2.gz IIJBCJMECLDRRO-FZMZJTMJSA-N 2 2 296.371 -0.728 20 0 CBADLP CN1C(=O)N[C@@]2(CC[N@H+](C[C@@H](O)C[NH+](C)C3CC3)C2)C1=O ZINC000329826005 372982290 /nfs/dbraw/zinc/98/22/90/372982290.db2.gz IIJBCJMECLDRRO-SMDDNHRTSA-N 2 2 296.371 -0.728 20 0 CBADLP CN1C(=O)N[C@@]2(CC[N@@H+](C[C@@H](O)C[NH+](C)C3CC3)C2)C1=O ZINC000329826005 372982295 /nfs/dbraw/zinc/98/22/95/372982295.db2.gz IIJBCJMECLDRRO-SMDDNHRTSA-N 2 2 296.371 -0.728 20 0 CBADLP CN1C(=O)N[C@@]2(CC[NH+](C[C@@H](O)C[N@H+](C)C3CC3)C2)C1=O ZINC000329826005 372982299 /nfs/dbraw/zinc/98/22/99/372982299.db2.gz IIJBCJMECLDRRO-SMDDNHRTSA-N 2 2 296.371 -0.728 20 0 CBADLP CN1C(=O)N[C@@]2(CC[NH+](C[C@@H](O)C[N@@H+](C)C3CC3)C2)C1=O ZINC000329826005 372982304 /nfs/dbraw/zinc/98/23/04/372982304.db2.gz IIJBCJMECLDRRO-SMDDNHRTSA-N 2 2 296.371 -0.728 20 0 CBADLP C[N@H+](CC(=O)NC[C@@H]1C[NH+]2CCN1CC2)[C@H]1CCSC1 ZINC000344598201 373059476 /nfs/dbraw/zinc/05/94/76/373059476.db2.gz ZPFRLKFFYNMYQU-QWHCGFSZSA-N 2 2 298.456 -0.460 20 0 CBADLP C[N@@H+](CC(=O)NC[C@@H]1C[NH+]2CCN1CC2)[C@H]1CCSC1 ZINC000344598201 373059483 /nfs/dbraw/zinc/05/94/83/373059483.db2.gz ZPFRLKFFYNMYQU-QWHCGFSZSA-N 2 2 298.456 -0.460 20 0 CBADLP C[N@H+](CC(=O)NC[C@H]1C[NH+]2CCN1CC2)[C@H]1CCSC1 ZINC000344598203 373060295 /nfs/dbraw/zinc/06/02/95/373060295.db2.gz ZPFRLKFFYNMYQU-STQMWFEESA-N 2 2 298.456 -0.460 20 0 CBADLP C[N@@H+](CC(=O)NC[C@H]1C[NH+]2CCN1CC2)[C@H]1CCSC1 ZINC000344598203 373060303 /nfs/dbraw/zinc/06/03/03/373060303.db2.gz ZPFRLKFFYNMYQU-STQMWFEESA-N 2 2 298.456 -0.460 20 0 CBADLP C[C@H](C(=O)NCC[N@@H+]1CCOC[C@H]1C)N1CC[NH+](C)CC1 ZINC000355703218 373149264 /nfs/dbraw/zinc/14/92/64/373149264.db2.gz XEXHGMMGBCWXOY-ZIAGYGMSSA-N 2 2 298.431 -0.541 20 0 CBADLP C[C@H](C(=O)NCC[N@H+]1CCOC[C@H]1C)N1CC[NH+](C)CC1 ZINC000355703218 373149275 /nfs/dbraw/zinc/14/92/75/373149275.db2.gz XEXHGMMGBCWXOY-ZIAGYGMSSA-N 2 2 298.431 -0.541 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](CCOC)CC2)C1 ZINC000360418324 373186755 /nfs/dbraw/zinc/18/67/55/373186755.db2.gz JYUVLZHINCNSOO-ZDUSSCGKSA-N 2 2 285.388 -0.502 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[NH+](CCOC)CC2)C1 ZINC000360418324 373186762 /nfs/dbraw/zinc/18/67/62/373186762.db2.gz JYUVLZHINCNSOO-ZDUSSCGKSA-N 2 2 285.388 -0.502 20 0 CBADLP O=C(NCCC[NH+]1CCC(O)CC1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000360836609 373240202 /nfs/dbraw/zinc/24/02/02/373240202.db2.gz XWWTZWLJMBVBSV-NSHDSACASA-N 2 2 291.342 -0.053 20 0 CBADLP CSCC[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000353578630 220169006 /nfs/dbraw/zinc/16/90/06/220169006.db2.gz NOWGKQGBBMDASJ-WDEREUQCSA-N 2 2 275.418 -0.096 20 0 CBADLP CSCC[C@@H]([NH3+])C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000353578630 220169009 /nfs/dbraw/zinc/16/90/09/220169009.db2.gz NOWGKQGBBMDASJ-WDEREUQCSA-N 2 2 275.418 -0.096 20 0 CBADLP CSCC[C@H]([NH3+])C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000353578628 220169848 /nfs/dbraw/zinc/16/98/48/220169848.db2.gz NOWGKQGBBMDASJ-MNOVXSKESA-N 2 2 275.418 -0.096 20 0 CBADLP CSCC[C@H]([NH3+])C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000353578628 220169850 /nfs/dbraw/zinc/16/98/50/220169850.db2.gz NOWGKQGBBMDASJ-MNOVXSKESA-N 2 2 275.418 -0.096 20 0 CBADLP CSCC[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000353578627 220170530 /nfs/dbraw/zinc/17/05/30/220170530.db2.gz NOWGKQGBBMDASJ-GHMZBOCLSA-N 2 2 275.418 -0.096 20 0 CBADLP CSCC[C@@H]([NH3+])C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000353578627 220170532 /nfs/dbraw/zinc/17/05/32/220170532.db2.gz NOWGKQGBBMDASJ-GHMZBOCLSA-N 2 2 275.418 -0.096 20 0 CBADLP C[C@H](CNC(=O)c1ccnc(C[NH3+])c1)[NH+]1CCOCC1 ZINC000361610745 373317843 /nfs/dbraw/zinc/31/78/43/373317843.db2.gz OSAKYADOPXVAHR-LLVKDONJSA-N 2 2 278.356 -0.009 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000362539754 373422206 /nfs/dbraw/zinc/42/22/06/373422206.db2.gz HVZXTROQWCXWPO-NEPJUHHUSA-N 2 2 255.362 -0.679 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000362539754 373422213 /nfs/dbraw/zinc/42/22/13/373422213.db2.gz HVZXTROQWCXWPO-NEPJUHHUSA-N 2 2 255.362 -0.679 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000362564805 373423828 /nfs/dbraw/zinc/42/38/28/373423828.db2.gz OEFKUDSTDKNCQQ-JSGCOSHPSA-N 2 2 296.415 -0.536 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000362564805 373423834 /nfs/dbraw/zinc/42/38/34/373423834.db2.gz OEFKUDSTDKNCQQ-JSGCOSHPSA-N 2 2 296.415 -0.536 20 0 CBADLP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C[NH3+])C2)C[C@H](C)O1 ZINC000050247863 220194544 /nfs/dbraw/zinc/19/45/44/220194544.db2.gz VDYNVBNAPRTBOW-GRYCIOLGSA-N 2 2 255.362 -0.097 20 0 CBADLP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C[NH3+])C2)C[C@H](C)O1 ZINC000050247863 220194548 /nfs/dbraw/zinc/19/45/48/220194548.db2.gz VDYNVBNAPRTBOW-GRYCIOLGSA-N 2 2 255.362 -0.097 20 0 CBADLP C[C@@H]1CN(Cc2c[nH+]c(N(C)C)n2C)CC[N@@H+]1CCO ZINC000362300151 373390017 /nfs/dbraw/zinc/39/00/17/373390017.db2.gz SZUBXOBEIQDMOH-GFCCVEGCSA-N 2 2 281.404 -0.016 20 0 CBADLP C[C@@H]1CN(Cc2c[nH+]c(N(C)C)n2C)CC[N@H+]1CCO ZINC000362300151 373390023 /nfs/dbraw/zinc/39/00/23/373390023.db2.gz SZUBXOBEIQDMOH-GFCCVEGCSA-N 2 2 281.404 -0.016 20 0 CBADLP CCC[C@H]1CN(C(=O)C[NH+](C)C)CCN1C(=O)C[NH+](C)C ZINC000362348869 373394340 /nfs/dbraw/zinc/39/43/40/373394340.db2.gz OGOYHYXQCVAQIK-ZDUSSCGKSA-N 2 2 298.431 -0.051 20 0 CBADLP C[C@@H](C(=O)NC1CC1)[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362836215 373452237 /nfs/dbraw/zinc/45/22/37/373452237.db2.gz FCKBXANFSYSAII-WCQYABFASA-N 2 2 294.399 -0.450 20 0 CBADLP C[C@@H](C(=O)NC1CC1)[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362836215 373452239 /nfs/dbraw/zinc/45/22/39/373452239.db2.gz FCKBXANFSYSAII-WCQYABFASA-N 2 2 294.399 -0.450 20 0 CBADLP O=C(C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)NCC1CC1 ZINC000362827048 373452292 /nfs/dbraw/zinc/45/22/92/373452292.db2.gz RGWSVGZFDMJTBS-CYBMUJFWSA-N 2 2 294.399 -0.591 20 0 CBADLP O=C(C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)NCC1CC1 ZINC000362827048 373452297 /nfs/dbraw/zinc/45/22/97/373452297.db2.gz RGWSVGZFDMJTBS-CYBMUJFWSA-N 2 2 294.399 -0.591 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000362866299 373459033 /nfs/dbraw/zinc/45/90/33/373459033.db2.gz ICOGGJLWYFGGGU-VXGBXAGGSA-N 2 2 296.415 -0.408 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000362866299 373459039 /nfs/dbraw/zinc/45/90/39/373459039.db2.gz ICOGGJLWYFGGGU-VXGBXAGGSA-N 2 2 296.415 -0.408 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000362947875 373466650 /nfs/dbraw/zinc/46/66/50/373466650.db2.gz DLUDQRNPNGFJLM-MGPQQGTHSA-N 2 2 299.415 -0.664 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000362947875 373466656 /nfs/dbraw/zinc/46/66/56/373466656.db2.gz DLUDQRNPNGFJLM-MGPQQGTHSA-N 2 2 299.415 -0.664 20 0 CBADLP COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC000362965160 373466807 /nfs/dbraw/zinc/46/68/07/373466807.db2.gz ZLCQXZPLJZKGIA-DLOVCJGASA-N 2 2 294.355 -0.192 20 0 CBADLP COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC000362965160 373466818 /nfs/dbraw/zinc/46/68/18/373466818.db2.gz ZLCQXZPLJZKGIA-DLOVCJGASA-N 2 2 294.355 -0.192 20 0 CBADLP COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC000362965160 373466825 /nfs/dbraw/zinc/46/68/25/373466825.db2.gz ZLCQXZPLJZKGIA-DLOVCJGASA-N 2 2 294.355 -0.192 20 0 CBADLP COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC000362965160 373466831 /nfs/dbraw/zinc/46/68/31/373466831.db2.gz ZLCQXZPLJZKGIA-DLOVCJGASA-N 2 2 294.355 -0.192 20 0 CBADLP CS(=O)(=O)NCC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000363118202 373476052 /nfs/dbraw/zinc/47/60/52/373476052.db2.gz UIQCIBBQGPIDML-FRRDWIJNSA-N 2 2 287.429 -0.048 20 0 CBADLP CS(=O)(=O)NCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000363118202 373476064 /nfs/dbraw/zinc/47/60/64/373476064.db2.gz UIQCIBBQGPIDML-FRRDWIJNSA-N 2 2 287.429 -0.048 20 0 CBADLP CS(=O)(=O)NCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363118202 373476075 /nfs/dbraw/zinc/47/60/75/373476075.db2.gz UIQCIBBQGPIDML-FRRDWIJNSA-N 2 2 287.429 -0.048 20 0 CBADLP CS(=O)(=O)NCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363118202 373476083 /nfs/dbraw/zinc/47/60/83/373476083.db2.gz UIQCIBBQGPIDML-FRRDWIJNSA-N 2 2 287.429 -0.048 20 0 CBADLP C[C@@H]([NH3+])C(=O)N1CCC[N@H+](CC(=O)NC(C)(C)C)CC1 ZINC000363153509 373480292 /nfs/dbraw/zinc/48/02/92/373480292.db2.gz RXVLMCVFMQERLF-LLVKDONJSA-N 2 2 284.404 -0.217 20 0 CBADLP C[C@@H]([NH3+])C(=O)N1CCC[N@@H+](CC(=O)NC(C)(C)C)CC1 ZINC000363153509 373480305 /nfs/dbraw/zinc/48/03/05/373480305.db2.gz RXVLMCVFMQERLF-LLVKDONJSA-N 2 2 284.404 -0.217 20 0 CBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CCn1cc[nH+]c1 ZINC000345021911 217386732 /nfs/dbraw/zinc/38/67/32/217386732.db2.gz WGPYRIZAYGWHNQ-CYBMUJFWSA-N 2 2 296.371 -0.575 20 0 CBADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCCN(S(N)(=O)=O)CC1 ZINC000363460198 373492515 /nfs/dbraw/zinc/49/25/15/373492515.db2.gz YDWRAVBIWWDHLL-GFCCVEGCSA-N 2 2 290.433 -0.318 20 0 CBADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCN(S(N)(=O)=O)CC1 ZINC000363460198 373492526 /nfs/dbraw/zinc/49/25/26/373492526.db2.gz YDWRAVBIWWDHLL-GFCCVEGCSA-N 2 2 290.433 -0.318 20 0 CBADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCN(S(N)(=O)=O)CC1 ZINC000363460198 373492536 /nfs/dbraw/zinc/49/25/36/373492536.db2.gz YDWRAVBIWWDHLL-GFCCVEGCSA-N 2 2 290.433 -0.318 20 0 CBADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCN(S(N)(=O)=O)CC1 ZINC000363460198 373492539 /nfs/dbraw/zinc/49/25/39/373492539.db2.gz YDWRAVBIWWDHLL-GFCCVEGCSA-N 2 2 290.433 -0.318 20 0 CBADLP CC[N@@H+]1CCO[C@@H](CN2CC[NH+](C[C@@H](C)O)CC2)C1 ZINC000363496726 373496378 /nfs/dbraw/zinc/49/63/78/373496378.db2.gz RXYRULFNXSMNET-ZIAGYGMSSA-N 2 2 271.405 -0.295 20 0 CBADLP CC[N@H+]1CCO[C@@H](CN2CC[NH+](C[C@@H](C)O)CC2)C1 ZINC000363496726 373496381 /nfs/dbraw/zinc/49/63/81/373496381.db2.gz RXYRULFNXSMNET-ZIAGYGMSSA-N 2 2 271.405 -0.295 20 0 CBADLP O=C(NCC[NH+]1CCOCC1)[C@@H]1C[NH+]2CCC1CC2 ZINC000363542949 373497689 /nfs/dbraw/zinc/49/76/89/373497689.db2.gz BPLSVKDWFZNFHS-CYBMUJFWSA-N 2 2 267.373 -0.223 20 0 CBADLP C[C@H]([NH3+])[C@H](C)C(=O)NC[C@]1([NH+]2CCOCC2)CCCOC1 ZINC000365185137 373522996 /nfs/dbraw/zinc/52/29/96/373522996.db2.gz UHMWPGZGYYSVDY-KCQAQPDRSA-N 2 2 299.415 -0.033 20 0 CBADLP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366485044 373529467 /nfs/dbraw/zinc/52/94/67/373529467.db2.gz VFSYIKBQLPZOBW-MFKMUULPSA-N 2 2 268.361 -0.142 20 0 CBADLP CNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366485044 373529473 /nfs/dbraw/zinc/52/94/73/373529473.db2.gz VFSYIKBQLPZOBW-MFKMUULPSA-N 2 2 268.361 -0.142 20 0 CBADLP CNC(=O)NC(=O)[C@@H](C)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000366485044 373529478 /nfs/dbraw/zinc/52/94/78/373529478.db2.gz VFSYIKBQLPZOBW-MFKMUULPSA-N 2 2 268.361 -0.142 20 0 CBADLP CNC(=O)NC(=O)[C@@H](C)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000366485044 373529484 /nfs/dbraw/zinc/52/94/84/373529484.db2.gz VFSYIKBQLPZOBW-MFKMUULPSA-N 2 2 268.361 -0.142 20 0 CBADLP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366485046 373529919 /nfs/dbraw/zinc/52/99/19/373529919.db2.gz VFSYIKBQLPZOBW-ZWNOBZJWSA-N 2 2 268.361 -0.142 20 0 CBADLP CNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366485046 373529924 /nfs/dbraw/zinc/52/99/24/373529924.db2.gz VFSYIKBQLPZOBW-ZWNOBZJWSA-N 2 2 268.361 -0.142 20 0 CBADLP CNC(=O)NC(=O)[C@@H](C)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000366485046 373529932 /nfs/dbraw/zinc/52/99/32/373529932.db2.gz VFSYIKBQLPZOBW-ZWNOBZJWSA-N 2 2 268.361 -0.142 20 0 CBADLP CNC(=O)NC(=O)[C@@H](C)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000366485046 373529940 /nfs/dbraw/zinc/52/99/40/373529940.db2.gz VFSYIKBQLPZOBW-ZWNOBZJWSA-N 2 2 268.361 -0.142 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C1 ZINC000363301858 373484986 /nfs/dbraw/zinc/48/49/86/373484986.db2.gz DASJGABMQGGURJ-IHRRRGAJSA-N 2 2 297.399 -0.625 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C1 ZINC000363301858 373484990 /nfs/dbraw/zinc/48/49/90/373484990.db2.gz DASJGABMQGGURJ-IHRRRGAJSA-N 2 2 297.399 -0.625 20 0 CBADLP CCN1C[C@H]([NH2+]C[C@H](O)C[N@H+](C)C2CC2)CC1=O ZINC000391588946 373581057 /nfs/dbraw/zinc/58/10/57/373581057.db2.gz LCXFUSZRYVDBIJ-PWSUYJOCSA-N 2 2 255.362 -0.348 20 0 CBADLP CCN1C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)CC1=O ZINC000391588946 373581062 /nfs/dbraw/zinc/58/10/62/373581062.db2.gz LCXFUSZRYVDBIJ-PWSUYJOCSA-N 2 2 255.362 -0.348 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@H](C)C[S@@](C)=O ZINC000398885987 373585663 /nfs/dbraw/zinc/58/56/63/373585663.db2.gz WUZZLXMCLKBVAF-OHUAYANFSA-N 2 2 250.408 -0.002 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@H](C)C[S@@](C)=O ZINC000398885987 373585671 /nfs/dbraw/zinc/58/56/71/373585671.db2.gz WUZZLXMCLKBVAF-OHUAYANFSA-N 2 2 250.408 -0.002 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@H](C)C[S@@](C)=O ZINC000398885987 373585677 /nfs/dbraw/zinc/58/56/77/373585677.db2.gz WUZZLXMCLKBVAF-OHUAYANFSA-N 2 2 250.408 -0.002 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@H](C)C[S@@](C)=O ZINC000398885987 373585685 /nfs/dbraw/zinc/58/56/85/373585685.db2.gz WUZZLXMCLKBVAF-OHUAYANFSA-N 2 2 250.408 -0.002 20 0 CBADLP CNC(=O)C[N@@H+]1CCCN(C(=O)/C=C/C[NH+](C)C)CC1 ZINC000369572953 373547168 /nfs/dbraw/zinc/54/71/68/373547168.db2.gz GBNFCGKMLPMHKZ-GQCTYLIASA-N 2 2 282.388 -0.616 20 0 CBADLP CNC(=O)C[N@H+]1CCCN(C(=O)/C=C/C[NH+](C)C)CC1 ZINC000369572953 373547178 /nfs/dbraw/zinc/54/71/78/373547178.db2.gz GBNFCGKMLPMHKZ-GQCTYLIASA-N 2 2 282.388 -0.616 20 0 CBADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](C)CC2)C1 ZINC000370484881 373549835 /nfs/dbraw/zinc/54/98/35/373549835.db2.gz OQZPAEBQZJAYEC-GFCCVEGCSA-N 2 2 255.362 -0.130 20 0 CBADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](C)CC2)C1 ZINC000370484881 373549843 /nfs/dbraw/zinc/54/98/43/373549843.db2.gz OQZPAEBQZJAYEC-GFCCVEGCSA-N 2 2 255.362 -0.130 20 0 CBADLP CC[C@H]([NH3+])C(=O)NC[C@]1([NH+]2CCOCC2)CCCOC1 ZINC000370773252 373552581 /nfs/dbraw/zinc/55/25/81/373552581.db2.gz NSABJZLFWKGQSV-GXTWGEPZSA-N 2 2 285.388 -0.279 20 0 CBADLP COC(=O)[C@@H](C)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000378430113 373578712 /nfs/dbraw/zinc/57/87/12/373578712.db2.gz MTHSCEHVVLGRGK-GFCCVEGCSA-N 2 2 286.372 -0.293 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@H]2C[NH+](C)CCO2)[C@@H](C)C[N@@H+]1CCO ZINC000416285398 373624920 /nfs/dbraw/zinc/62/49/20/373624920.db2.gz CBVBCXHPQFUZBN-AGIUHOORSA-N 2 2 285.388 -0.770 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@H]2C[NH+](C)CCO2)[C@@H](C)C[N@H+]1CCO ZINC000416285398 373624926 /nfs/dbraw/zinc/62/49/26/373624926.db2.gz CBVBCXHPQFUZBN-AGIUHOORSA-N 2 2 285.388 -0.770 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)[C@@H](C)C[NH+]1CCO ZINC000416285398 373624932 /nfs/dbraw/zinc/62/49/32/373624932.db2.gz CBVBCXHPQFUZBN-AGIUHOORSA-N 2 2 285.388 -0.770 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)[C@@H](C)C[NH+]1CCO ZINC000416285398 373624940 /nfs/dbraw/zinc/62/49/40/373624940.db2.gz CBVBCXHPQFUZBN-AGIUHOORSA-N 2 2 285.388 -0.770 20 0 CBADLP CC(C)([NH3+])CNC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000418217671 373631887 /nfs/dbraw/zinc/63/18/87/373631887.db2.gz PSASYJAGIDPOFQ-LLVKDONJSA-N 2 2 270.377 -0.114 20 0 CBADLP CC(C)([NH3+])CNC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000418217671 373631897 /nfs/dbraw/zinc/63/18/97/373631897.db2.gz PSASYJAGIDPOFQ-LLVKDONJSA-N 2 2 270.377 -0.114 20 0 CBADLP CC[C@H]([NH3+])CNC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000418214133 373631914 /nfs/dbraw/zinc/63/19/14/373631914.db2.gz MXFLAFALVMBPKL-CMPLNLGQSA-N 2 2 270.377 -0.114 20 0 CBADLP CC[C@H]([NH3+])CNC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000418214133 373631917 /nfs/dbraw/zinc/63/19/17/373631917.db2.gz MXFLAFALVMBPKL-CMPLNLGQSA-N 2 2 270.377 -0.114 20 0 CBADLP C[C@@H](NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[C@H](C)[NH3+] ZINC000418688400 373633772 /nfs/dbraw/zinc/63/37/72/373633772.db2.gz AZFSYEJPHYQYDK-WHOHXGKFSA-N 2 2 270.377 -0.116 20 0 CBADLP C[C@@H](NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[C@H](C)[NH3+] ZINC000418688400 373633777 /nfs/dbraw/zinc/63/37/77/373633777.db2.gz AZFSYEJPHYQYDK-WHOHXGKFSA-N 2 2 270.377 -0.116 20 0 CBADLP COCCN(C)CC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422903550 373653641 /nfs/dbraw/zinc/65/36/41/373653641.db2.gz FPCLLCHNPNIDGE-UONOGXRCSA-N 2 2 271.405 -0.079 20 0 CBADLP CC[C@H](C(=O)N1CC[N@H+](CCO)C[C@@H]1C)[NH+](C)C ZINC000413865796 373621147 /nfs/dbraw/zinc/62/11/47/373621147.db2.gz SZDVWJKLMAJYBE-NWDGAFQWSA-N 2 2 257.378 -0.148 20 0 CBADLP CC[C@H](C(=O)N1CC[N@@H+](CCO)C[C@@H]1C)[NH+](C)C ZINC000413865796 373621153 /nfs/dbraw/zinc/62/11/53/373621153.db2.gz SZDVWJKLMAJYBE-NWDGAFQWSA-N 2 2 257.378 -0.148 20 0 CBADLP CC(C)[C@H]1CN(C[C@H](O)C[NH+]2CCOCC2)CC[N@@H+]1C ZINC000487982442 373697310 /nfs/dbraw/zinc/69/73/10/373697310.db2.gz RJNFPACAFGWVNH-HUUCEWRRSA-N 2 2 285.432 -0.049 20 0 CBADLP CC(C)[C@H]1CN(C[C@H](O)C[NH+]2CCOCC2)CC[N@H+]1C ZINC000487982442 373697313 /nfs/dbraw/zinc/69/73/13/373697313.db2.gz RJNFPACAFGWVNH-HUUCEWRRSA-N 2 2 285.432 -0.049 20 0 CBADLP [NH3+]CCNC(=O)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000515145150 373776827 /nfs/dbraw/zinc/77/68/27/373776827.db2.gz VIUYYKUWIPZIBW-UHFFFAOYSA-N 2 2 296.396 -0.533 20 0 CBADLP COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000514789211 373765666 /nfs/dbraw/zinc/76/56/66/373765666.db2.gz DHEKBLVFZZGXTE-FRRDWIJNSA-N 2 2 297.399 -0.157 20 0 CBADLP COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000514789211 373765678 /nfs/dbraw/zinc/76/56/78/373765678.db2.gz DHEKBLVFZZGXTE-FRRDWIJNSA-N 2 2 297.399 -0.157 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000516177957 373805520 /nfs/dbraw/zinc/80/55/20/373805520.db2.gz FIORTYCYBJOLMS-JSGCOSHPSA-N 2 2 267.373 -0.223 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@H]1CC[NH2+]C1 ZINC000516194979 373806782 /nfs/dbraw/zinc/80/67/82/373806782.db2.gz FNKBVGGELDRDQH-MNOVXSKESA-N 2 2 256.350 -0.632 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N[C@H]1CC[NH2+]C1 ZINC000516194979 373806788 /nfs/dbraw/zinc/80/67/88/373806788.db2.gz FNKBVGGELDRDQH-MNOVXSKESA-N 2 2 256.350 -0.632 20 0 CBADLP COC(=O)c1cn(C2CC[NH+](CC[NH3+])CC2)nn1 ZINC000516292866 373809095 /nfs/dbraw/zinc/80/90/95/373809095.db2.gz BFEAGFHKCAQWIU-UHFFFAOYSA-N 2 2 253.306 -0.340 20 0 CBADLP CCNC(=O)NC(=O)[C@H](C)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000516615784 373817906 /nfs/dbraw/zinc/81/79/06/373817906.db2.gz YLYCIICYROAQRK-JTQLQIEISA-N 2 2 294.359 -0.234 20 0 CBADLP CC(C)Cn1cc[nH+]c1CNC(=O)C(=O)N(C)CCC[NH3+] ZINC000516664938 373819837 /nfs/dbraw/zinc/81/98/37/373819837.db2.gz RRIIATHMOHLWOV-UHFFFAOYSA-N 2 2 295.387 -0.038 20 0 CBADLP CC(C)N1CC[C@H]([N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C1=O ZINC000520253943 373830526 /nfs/dbraw/zinc/83/05/26/373830526.db2.gz FHQGHKHNFJPXFB-SRVKXCTJSA-N 2 2 280.372 -0.761 20 0 CBADLP CC(C)N1CC[C@H]([N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C1=O ZINC000520253943 373830532 /nfs/dbraw/zinc/83/05/32/373830532.db2.gz FHQGHKHNFJPXFB-SRVKXCTJSA-N 2 2 280.372 -0.761 20 0 CBADLP C[NH2+][C@@H](C)C(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000515311050 373780639 /nfs/dbraw/zinc/78/06/39/373780639.db2.gz ARKGTIMYLUZZKU-STQMWFEESA-N 2 2 296.415 -0.251 20 0 CBADLP C[C@@H]1CN(C(=O)C[NH+]2CC(C)(C)C2)CC[N@@H+]1CCO ZINC000515388326 373787568 /nfs/dbraw/zinc/78/75/68/373787568.db2.gz XZTHQBHOWMZITD-GFCCVEGCSA-N 2 2 269.389 -0.147 20 0 CBADLP C[C@@H]1CN(C(=O)C[NH+]2CC(C)(C)C2)CC[N@H+]1CCO ZINC000515388326 373787574 /nfs/dbraw/zinc/78/75/74/373787574.db2.gz XZTHQBHOWMZITD-GFCCVEGCSA-N 2 2 269.389 -0.147 20 0 CBADLP O=C(NC1CCC(N2CC[NH2+]CC2)CC1)[C@@H]1CSC[NH2+]1 ZINC000515484654 373788366 /nfs/dbraw/zinc/78/83/66/373788366.db2.gz OKMYGFWJVWCWMM-BPCQOVAHSA-N 2 2 298.456 -0.019 20 0 CBADLP O=C(NC1CCC([NH+]2CCNCC2)CC1)[C@@H]1CSC[NH2+]1 ZINC000515484654 373788374 /nfs/dbraw/zinc/78/83/74/373788374.db2.gz OKMYGFWJVWCWMM-BPCQOVAHSA-N 2 2 298.456 -0.019 20 0 CBADLP [NH3+][C@H]1C[C@H]2C[N@H+](CC(=O)NC3CCCCC3)CCN2C1=O ZINC000515500381 373791771 /nfs/dbraw/zinc/79/17/71/373791771.db2.gz LPAKPIIYAOVQAQ-STQMWFEESA-N 2 2 294.399 -0.321 20 0 CBADLP [NH3+][C@H]1C[C@H]2C[N@@H+](CC(=O)NC3CCCCC3)CCN2C1=O ZINC000515500381 373791777 /nfs/dbraw/zinc/79/17/77/373791777.db2.gz LPAKPIIYAOVQAQ-STQMWFEESA-N 2 2 294.399 -0.321 20 0 CBADLP CN(C)c1[nH+]cc(C[NH2+]C[C@H](O)CN2CCOCC2)n1C ZINC000515638048 373793810 /nfs/dbraw/zinc/79/38/10/373793810.db2.gz OLIDDFURSYGFRY-ZDUSSCGKSA-N 2 2 297.403 -0.731 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CC(C)(C(N)=O)C2)CC1 ZINC000515837778 373795814 /nfs/dbraw/zinc/79/58/14/373795814.db2.gz CANKXRILPZXRIX-NSHDSACASA-N 2 2 282.388 -0.654 20 0 CBADLP C[C@H](C(=O)NCC[N@@H+]1CCO[C@H](C)C1)N1CC[NH+](C)CC1 ZINC000524300557 373882278 /nfs/dbraw/zinc/88/22/78/373882278.db2.gz YMIPRPCOCXMKJK-ZIAGYGMSSA-N 2 2 298.431 -0.541 20 0 CBADLP C[C@H](C(=O)NCC[N@H+]1CCO[C@H](C)C1)N1CC[NH+](C)CC1 ZINC000524300557 373882286 /nfs/dbraw/zinc/88/22/86/373882286.db2.gz YMIPRPCOCXMKJK-ZIAGYGMSSA-N 2 2 298.431 -0.541 20 0 CBADLP C[C@@H](C(=O)N1CC(n2cc[nH+]c2)C1)N1CC[NH+](C)CC1 ZINC000524400226 373883678 /nfs/dbraw/zinc/88/36/78/373883678.db2.gz WLDXRKOWLRKFHH-LBPRGKRZSA-N 2 2 277.372 -0.098 20 0 CBADLP CN1CC[N@H+](C)[C@H](CNC(=O)N[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000524466077 373885742 /nfs/dbraw/zinc/88/57/42/373885742.db2.gz NXOOOGUSRZDAPK-GXTWGEPZSA-N 2 2 295.431 -0.232 20 0 CBADLP CN1CC[N@@H+](C)[C@H](CNC(=O)N[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000524466077 373885748 /nfs/dbraw/zinc/88/57/48/373885748.db2.gz NXOOOGUSRZDAPK-GXTWGEPZSA-N 2 2 295.431 -0.232 20 0 CBADLP CN1CC[NH+](C)[C@H](CNC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000524466077 373885754 /nfs/dbraw/zinc/88/57/54/373885754.db2.gz NXOOOGUSRZDAPK-GXTWGEPZSA-N 2 2 295.431 -0.232 20 0 CBADLP CN1CC[NH+](C)[C@H](CNC(=O)N[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000524466077 373885760 /nfs/dbraw/zinc/88/57/60/373885760.db2.gz NXOOOGUSRZDAPK-GXTWGEPZSA-N 2 2 295.431 -0.232 20 0 CBADLP Cc1[nH+]cc(C[NH2+]CCNS(=O)(=O)NC(C)C)n1C ZINC000521372168 373842328 /nfs/dbraw/zinc/84/23/28/373842328.db2.gz ZQKDQTINOZJSCP-UHFFFAOYSA-N 2 2 289.405 -0.349 20 0 CBADLP C[N@@H+]1CCN(C(=O)NC[C@]2(C)CCC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000521986470 373854255 /nfs/dbraw/zinc/85/42/55/373854255.db2.gz HFWGIHKHBYPKQO-TZMCWYRMSA-N 3 2 283.420 -0.340 20 0 CBADLP C[N@H+]1CCN(C(=O)NC[C@]2(C)CCC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000521986470 373854261 /nfs/dbraw/zinc/85/42/61/373854261.db2.gz HFWGIHKHBYPKQO-TZMCWYRMSA-N 3 2 283.420 -0.340 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000528458289 373951162 /nfs/dbraw/zinc/95/11/62/373951162.db2.gz HUQSSPCZOHIZBL-LBPRGKRZSA-N 2 2 279.388 -0.056 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000528458289 373951169 /nfs/dbraw/zinc/95/11/69/373951169.db2.gz HUQSSPCZOHIZBL-LBPRGKRZSA-N 2 2 279.388 -0.056 20 0 CBADLP CC(C)N1CCC[C@H]([N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C1=O ZINC000574465347 335022200 /nfs/dbraw/zinc/02/22/00/335022200.db2.gz KZHPQDSHKLMXEE-UPJWGTAASA-N 2 2 294.399 -0.370 20 0 CBADLP CC(C)N1CCC[C@H]([N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C1=O ZINC000574465347 335022201 /nfs/dbraw/zinc/02/22/01/335022201.db2.gz KZHPQDSHKLMXEE-UPJWGTAASA-N 2 2 294.399 -0.370 20 0 CBADLP CC[C@H]1C[N@H+](CCNC(=O)[C@@H]2C[NH+](C)C[C@H](C)O2)CCO1 ZINC000527551138 373921614 /nfs/dbraw/zinc/92/16/14/373921614.db2.gz DSPSSTPJYJACQS-IHRRRGAJSA-N 2 2 299.415 -0.068 20 0 CBADLP CC[C@H]1C[N@@H+](CCNC(=O)[C@@H]2C[NH+](C)C[C@H](C)O2)CCO1 ZINC000527551138 373921619 /nfs/dbraw/zinc/92/16/19/373921619.db2.gz DSPSSTPJYJACQS-IHRRRGAJSA-N 2 2 299.415 -0.068 20 0 CBADLP CC[C@H]1C[NH+](CCNC(=O)[C@@H]2C[N@H+](C)C[C@H](C)O2)CCO1 ZINC000527551138 373921626 /nfs/dbraw/zinc/92/16/26/373921626.db2.gz DSPSSTPJYJACQS-IHRRRGAJSA-N 2 2 299.415 -0.068 20 0 CBADLP CC[C@H]1C[NH+](CCNC(=O)[C@@H]2C[N@@H+](C)C[C@H](C)O2)CCO1 ZINC000527551138 373921633 /nfs/dbraw/zinc/92/16/33/373921633.db2.gz DSPSSTPJYJACQS-IHRRRGAJSA-N 2 2 299.415 -0.068 20 0 CBADLP O=C(NC[C@H]1COCC[NH2+]1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000529326060 374002111 /nfs/dbraw/zinc/00/21/11/374002111.db2.gz KJAIBWFYOPTSKX-ZJUUUORDSA-N 2 2 279.344 -0.445 20 0 CBADLP O=C(NC[C@H]1COCC[NH2+]1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000529326060 374002116 /nfs/dbraw/zinc/00/21/16/374002116.db2.gz KJAIBWFYOPTSKX-ZJUUUORDSA-N 2 2 279.344 -0.445 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000529080776 373992252 /nfs/dbraw/zinc/99/22/52/373992252.db2.gz UZXJYEGNAHGPEV-LBPRGKRZSA-N 2 2 266.345 -0.283 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000529080776 373992256 /nfs/dbraw/zinc/99/22/56/373992256.db2.gz UZXJYEGNAHGPEV-LBPRGKRZSA-N 2 2 266.345 -0.283 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC000529472859 374026580 /nfs/dbraw/zinc/02/65/80/374026580.db2.gz RYMRWEBKYWJLCI-GFCCVEGCSA-N 2 2 266.345 -0.283 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC000529472859 374026586 /nfs/dbraw/zinc/02/65/86/374026586.db2.gz RYMRWEBKYWJLCI-GFCCVEGCSA-N 2 2 266.345 -0.283 20 0 CBADLP C(N[C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)[C@H]1COCC[NH2+]1 ZINC000530226257 374066594 /nfs/dbraw/zinc/06/65/94/374066594.db2.gz QWDXWBPXMKOMHQ-AVGNSLFASA-N 2 2 255.362 -0.669 20 0 CBADLP C([NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)[C@H]1COCCN1 ZINC000530226257 374066597 /nfs/dbraw/zinc/06/65/97/374066597.db2.gz QWDXWBPXMKOMHQ-AVGNSLFASA-N 2 2 255.362 -0.669 20 0 CBADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H]1CCCN(C)C1=O ZINC000530221715 374067458 /nfs/dbraw/zinc/06/74/58/374067458.db2.gz YASYWYUDUHZDKE-WOPDTQHZSA-N 2 2 255.362 -0.036 20 0 CBADLP O=C(N1CC[NH2+]CC1)N1CC[NH+](CC2=CCCOC2)CC1 ZINC000530242157 374069110 /nfs/dbraw/zinc/06/91/10/374069110.db2.gz LKYUOZHMEWZCSZ-UHFFFAOYSA-N 2 2 294.399 -0.024 20 0 CBADLP CN1CCC[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)C1=O ZINC000530230649 374069753 /nfs/dbraw/zinc/06/97/53/374069753.db2.gz BWTYNZPCOGETNA-VXGBXAGGSA-N 2 2 255.362 -0.347 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2C[NH+](C)CCO2)CCO1 ZINC000531296239 374127115 /nfs/dbraw/zinc/12/71/15/374127115.db2.gz QEWFVSJWDCDRRH-NEPJUHHUSA-N 2 2 271.361 -0.846 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2C[NH+](C)CCO2)CCO1 ZINC000531296239 374127122 /nfs/dbraw/zinc/12/71/22/374127122.db2.gz QEWFVSJWDCDRRH-NEPJUHHUSA-N 2 2 271.361 -0.846 20 0 CBADLP C[C@@H]1C[NH+](CCNC(=O)[C@@H]2C[N@H+](C)CCO2)CCO1 ZINC000531296239 374127127 /nfs/dbraw/zinc/12/71/27/374127127.db2.gz QEWFVSJWDCDRRH-NEPJUHHUSA-N 2 2 271.361 -0.846 20 0 CBADLP C[C@@H]1C[NH+](CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)CCO1 ZINC000531296239 374127130 /nfs/dbraw/zinc/12/71/30/374127130.db2.gz QEWFVSJWDCDRRH-NEPJUHHUSA-N 2 2 271.361 -0.846 20 0 CBADLP C[NH+](C)C1CC[NH+](CCNc2nccn3nnnc23)CC1 ZINC000530663027 374093938 /nfs/dbraw/zinc/09/39/38/374093938.db2.gz QFCCGLKCQRUKOZ-UHFFFAOYSA-N 2 2 290.375 -0.043 20 0 CBADLP C[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1(C)C ZINC000555545143 374291392 /nfs/dbraw/zinc/29/13/92/374291392.db2.gz VYLJAXSRMLJKCF-NSHDSACASA-N 2 2 255.362 -0.130 20 0 CBADLP C[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1(C)C ZINC000555545143 374291394 /nfs/dbraw/zinc/29/13/94/374291394.db2.gz VYLJAXSRMLJKCF-NSHDSACASA-N 2 2 255.362 -0.130 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N2CC[N@H+](C)C(C)(C)C2)C1 ZINC000555545143 374291397 /nfs/dbraw/zinc/29/13/97/374291397.db2.gz VYLJAXSRMLJKCF-NSHDSACASA-N 2 2 255.362 -0.130 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000555545143 374291400 /nfs/dbraw/zinc/29/14/00/374291400.db2.gz VYLJAXSRMLJKCF-NSHDSACASA-N 2 2 255.362 -0.130 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1C(=O)NC1CC1 ZINC000562477291 374319023 /nfs/dbraw/zinc/31/90/23/374319023.db2.gz GPGXITKSZUORNM-KBPBESRZSA-N 2 2 299.415 -0.332 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1C(=O)NC1CC1 ZINC000562477291 374319027 /nfs/dbraw/zinc/31/90/27/374319027.db2.gz GPGXITKSZUORNM-KBPBESRZSA-N 2 2 299.415 -0.332 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]1C(=O)NC1CC1 ZINC000562477291 374319032 /nfs/dbraw/zinc/31/90/32/374319032.db2.gz GPGXITKSZUORNM-KBPBESRZSA-N 2 2 299.415 -0.332 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]1C(=O)NC1CC1 ZINC000562477291 374319038 /nfs/dbraw/zinc/31/90/38/374319038.db2.gz GPGXITKSZUORNM-KBPBESRZSA-N 2 2 299.415 -0.332 20 0 CBADLP NC(=O)NC(=O)CC[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000563707212 374323329 /nfs/dbraw/zinc/32/33/29/374323329.db2.gz NTKFDUPABRZQPX-UHFFFAOYSA-N 2 2 265.317 -0.106 20 0 CBADLP COC(=O)CC1(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC1 ZINC000577887104 374343999 /nfs/dbraw/zinc/34/39/99/374343999.db2.gz DYWBKUZYNLICAH-GHMZBOCLSA-N 2 2 281.356 -0.427 20 0 CBADLP COC(=O)CC1(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC1 ZINC000577887104 374344006 /nfs/dbraw/zinc/34/40/06/374344006.db2.gz DYWBKUZYNLICAH-GHMZBOCLSA-N 2 2 281.356 -0.427 20 0 CBADLP CNC(=O)[C@@H]1C[N@H+](CCCc2c[nH+]cn2C)CCO1 ZINC000579968702 374354268 /nfs/dbraw/zinc/35/42/68/374354268.db2.gz QTCFAZCMBZEWGO-LBPRGKRZSA-N 2 2 266.345 -0.201 20 0 CBADLP CNC(=O)[C@@H]1C[N@@H+](CCCc2c[nH+]cn2C)CCO1 ZINC000579968702 374354271 /nfs/dbraw/zinc/35/42/71/374354271.db2.gz QTCFAZCMBZEWGO-LBPRGKRZSA-N 2 2 266.345 -0.201 20 0 CBADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCO[C@H]2C2CC2)[C@@H](C[NH3+])C1 ZINC000583742294 374364579 /nfs/dbraw/zinc/36/45/79/374364579.db2.gz FCVXLJYZRMFEOB-XQQFMLRXSA-N 2 2 282.388 -0.162 20 0 CBADLP C[N@H+]1CCN(C(=O)N[C@@H]2CCO[C@H]2C2CC2)[C@@H](C[NH3+])C1 ZINC000583742294 374364587 /nfs/dbraw/zinc/36/45/87/374364587.db2.gz FCVXLJYZRMFEOB-XQQFMLRXSA-N 2 2 282.388 -0.162 20 0 CBADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCO[C@@H]2C2CC2)[C@H](C[NH3+])C1 ZINC000583742292 374364678 /nfs/dbraw/zinc/36/46/78/374364678.db2.gz FCVXLJYZRMFEOB-JHJVBQTASA-N 2 2 282.388 -0.162 20 0 CBADLP C[N@H+]1CCN(C(=O)N[C@@H]2CCO[C@@H]2C2CC2)[C@H](C[NH3+])C1 ZINC000583742292 374364681 /nfs/dbraw/zinc/36/46/81/374364681.db2.gz FCVXLJYZRMFEOB-JHJVBQTASA-N 2 2 282.388 -0.162 20 0 CBADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1CC[NH+](CCO)CC1 ZINC000583755033 374365123 /nfs/dbraw/zinc/36/51/23/374365123.db2.gz AJWRNOSXCBJNHP-LBPRGKRZSA-N 2 2 278.356 -0.418 20 0 CBADLP CN(C)c1ncc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cn1 ZINC000583764169 374367901 /nfs/dbraw/zinc/36/79/01/374367901.db2.gz ZFRRJUPOILKRMH-NEPJUHHUSA-N 2 2 290.371 -0.714 20 0 CBADLP CN(C)c1ncc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cn1 ZINC000583764169 374367908 /nfs/dbraw/zinc/36/79/08/374367908.db2.gz ZFRRJUPOILKRMH-NEPJUHHUSA-N 2 2 290.371 -0.714 20 0 CBADLP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@@H](N2CCNC2=O)C1)C1CC1 ZINC000583840985 374369907 /nfs/dbraw/zinc/36/99/07/374369907.db2.gz WYBNAMFHINRQFV-ZIAGYGMSSA-N 2 2 296.415 -0.069 20 0 CBADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@@H](N2CCNC2=O)C1)C1CC1 ZINC000583840985 374369911 /nfs/dbraw/zinc/36/99/11/374369911.db2.gz WYBNAMFHINRQFV-ZIAGYGMSSA-N 2 2 296.415 -0.069 20 0 CBADLP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@@H](N2CCNC2=O)C1)C1CC1 ZINC000583840985 374369916 /nfs/dbraw/zinc/36/99/16/374369916.db2.gz WYBNAMFHINRQFV-ZIAGYGMSSA-N 2 2 296.415 -0.069 20 0 CBADLP CC(C)CCNC(=O)[C@H](C)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000584422451 374373873 /nfs/dbraw/zinc/37/38/73/374373873.db2.gz XPFULNGGOCRSFU-AVGNSLFASA-N 2 2 296.415 -0.219 20 0 CBADLP CC(C)CCNC(=O)[C@H](C)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000584422451 374373883 /nfs/dbraw/zinc/37/38/83/374373883.db2.gz XPFULNGGOCRSFU-AVGNSLFASA-N 2 2 296.415 -0.219 20 0 CBADLP CN(C)c1[nH+]cc(C[N@@H+]2CCC[C@@](O)(CC(N)=O)C2)n1C ZINC000643747516 374406168 /nfs/dbraw/zinc/40/61/68/374406168.db2.gz IAIAJJRZGUHGSP-CQSZACIVSA-N 2 2 295.387 -0.312 20 0 CBADLP CN(C)c1[nH+]cc(C[N@H+]2CCC[C@@](O)(CC(N)=O)C2)n1C ZINC000643747516 374406177 /nfs/dbraw/zinc/40/61/77/374406177.db2.gz IAIAJJRZGUHGSP-CQSZACIVSA-N 2 2 295.387 -0.312 20 0 CBADLP O[C@@H]1CC[N@@H+]([C@H]2CCC[C@H]2[NH2+]CCN2CCOCC2)C1 ZINC000643961891 374464337 /nfs/dbraw/zinc/46/43/37/374464337.db2.gz IRQHQQMQCICPGV-KFWWJZLASA-N 2 2 283.416 -0.104 20 0 CBADLP O[C@@H]1CC[N@H+]([C@H]2CCC[C@H]2[NH2+]CCN2CCOCC2)C1 ZINC000643961891 374464346 /nfs/dbraw/zinc/46/43/46/374464346.db2.gz IRQHQQMQCICPGV-KFWWJZLASA-N 2 2 283.416 -0.104 20 0 CBADLP CNC(=O)C[C@@]1(O)CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000643817311 374441790 /nfs/dbraw/zinc/44/17/90/374441790.db2.gz SBUTUNCPUNDIJZ-ZDUSSCGKSA-N 2 2 266.345 -0.154 20 0 CBADLP CNC(=O)C[C@@]1(O)CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000643817311 374441796 /nfs/dbraw/zinc/44/17/96/374441796.db2.gz SBUTUNCPUNDIJZ-ZDUSSCGKSA-N 2 2 266.345 -0.154 20 0 CBADLP CCN1CC[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)C1=O ZINC000644642681 374604848 /nfs/dbraw/zinc/60/48/48/374604848.db2.gz NBFMUWFOBOWIBO-VXGBXAGGSA-N 2 2 255.362 -0.348 20 0 CBADLP CCN1CC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)C1=O ZINC000644642681 374604853 /nfs/dbraw/zinc/60/48/53/374604853.db2.gz NBFMUWFOBOWIBO-VXGBXAGGSA-N 2 2 255.362 -0.348 20 0 CBADLP CCOCC[C@@H](O)C[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000644559320 374594579 /nfs/dbraw/zinc/59/45/79/374594579.db2.gz GLVILDOIZABCTB-QWHCGFSZSA-N 2 2 259.394 -0.391 20 0 CBADLP CCOCC[C@@H](O)C[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000644559320 374594586 /nfs/dbraw/zinc/59/45/86/374594586.db2.gz GLVILDOIZABCTB-QWHCGFSZSA-N 2 2 259.394 -0.391 20 0 CBADLP C[C@H](CC[NH+](C)C)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000644562837 374595336 /nfs/dbraw/zinc/59/53/36/374595336.db2.gz BOGFFKRTFVLIAN-KGLIPLIRSA-N 3 2 272.437 -0.476 20 0 CBADLP C[C@@H](C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1)CN1CC[NH+](C)CC1 ZINC000644562662 374595433 /nfs/dbraw/zinc/59/54/33/374595433.db2.gz CQGOOFIASMIXEX-GOEBONIOSA-N 3 2 298.475 -0.085 20 0 CBADLP C[C@@H](C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)CN1CC[NH+](C)CC1 ZINC000644562662 374595437 /nfs/dbraw/zinc/59/54/37/374595437.db2.gz CQGOOFIASMIXEX-GOEBONIOSA-N 3 2 298.475 -0.085 20 0 CBADLP C[N@H+](C[C@@H](O)C[NH2+][C@@H]1CC(=O)N(C2CC2)C1)C1CC1 ZINC000644583499 374598821 /nfs/dbraw/zinc/59/88/21/374598821.db2.gz JYKLQDDITXNTDI-MFKMUULPSA-N 2 2 267.373 -0.206 20 0 CBADLP C[N@@H+](C[C@@H](O)C[NH2+][C@@H]1CC(=O)N(C2CC2)C1)C1CC1 ZINC000644583499 374598829 /nfs/dbraw/zinc/59/88/29/374598829.db2.gz JYKLQDDITXNTDI-MFKMUULPSA-N 2 2 267.373 -0.206 20 0 CBADLP CC(=O)N1CC[C@H]([NH2+]C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000644595189 374599614 /nfs/dbraw/zinc/59/96/14/374599614.db2.gz BTAUWMSJTBKBEM-NEBZKDRISA-N 2 2 299.415 -0.333 20 0 CBADLP CC(=O)N1CC[C@H]([NH2+]C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000644595189 374599619 /nfs/dbraw/zinc/59/96/19/374599619.db2.gz BTAUWMSJTBKBEM-NEBZKDRISA-N 2 2 299.415 -0.333 20 0 CBADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CCCn2ccnn2)C[C@@H](C)O1 ZINC000644620231 374602659 /nfs/dbraw/zinc/60/26/59/374602659.db2.gz AOSOBWOAJNYFPN-MCIONIFRSA-N 2 2 297.403 -0.272 20 0 CBADLP CN(C)c1[nH+]cc(C[N@@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)n1C ZINC000644903977 374632633 /nfs/dbraw/zinc/63/26/33/374632633.db2.gz RPWIAPNJFOCWJC-AOOOYVTPSA-N 2 2 277.328 -0.810 20 0 CBADLP CN(C)c1[nH+]cc(C[N@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)n1C ZINC000644903977 374632642 /nfs/dbraw/zinc/63/26/42/374632642.db2.gz RPWIAPNJFOCWJC-AOOOYVTPSA-N 2 2 277.328 -0.810 20 0 CBADLP C[N@@H+]1C[C@@H]2CCN(C[C@H](O)C[NH+]3CCOCC3)[C@@H]2C1 ZINC000644734667 374615650 /nfs/dbraw/zinc/61/56/50/374615650.db2.gz OPWAMCJWBKKODQ-BFHYXJOUSA-N 2 2 269.389 -0.685 20 0 CBADLP C[N@H+]1C[C@@H]2CCN(C[C@H](O)C[NH+]3CCOCC3)[C@@H]2C1 ZINC000644734667 374615654 /nfs/dbraw/zinc/61/56/54/374615654.db2.gz OPWAMCJWBKKODQ-BFHYXJOUSA-N 2 2 269.389 -0.685 20 0 CBADLP [NH3+]CCOCC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000645292779 374658711 /nfs/dbraw/zinc/65/87/11/374658711.db2.gz CELCWBJPSXMVSQ-UHFFFAOYSA-N 2 2 262.313 -0.032 20 0 CBADLP C[NH+](C)C[C@@H](CO)NC(=O)CCCn1cc[nH+]c1 ZINC000646209243 374755676 /nfs/dbraw/zinc/75/56/76/374755676.db2.gz CEKVSDVBJHQOCR-NSHDSACASA-N 2 2 254.334 -0.298 20 0 CBADLP CC1(C)C[N@H+](CCNC(=O)COCC[NH3+])CCO1 ZINC000645843302 374704937 /nfs/dbraw/zinc/70/49/37/374704937.db2.gz KTMSIFFFCAUGSR-UHFFFAOYSA-N 2 2 259.350 -0.811 20 0 CBADLP CC1(C)C[N@@H+](CCNC(=O)COCC[NH3+])CCO1 ZINC000645843302 374704945 /nfs/dbraw/zinc/70/49/45/374704945.db2.gz KTMSIFFFCAUGSR-UHFFFAOYSA-N 2 2 259.350 -0.811 20 0 CBADLP C[C@@H](NC(=O)COCC[NH3+])[C@H](C)[NH+]1CCOCC1 ZINC000645937260 374715861 /nfs/dbraw/zinc/71/58/61/374715861.db2.gz CMBUCRGNEXEPKD-MNOVXSKESA-N 2 2 259.350 -0.813 20 0 CBADLP Cn1cc(C[NH+]2CCN(C(=O)COCC[NH3+])CC2)cn1 ZINC000645944297 374717132 /nfs/dbraw/zinc/71/71/32/374717132.db2.gz CICILVDYXGAJCE-UHFFFAOYSA-N 2 2 281.360 -0.960 20 0 CBADLP C[NH2+]CC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000645977966 374720406 /nfs/dbraw/zinc/72/04/06/374720406.db2.gz OWVFOAAPYGDFAE-NSHDSACASA-N 3 2 254.378 -0.510 20 0 CBADLP C[NH2+]CC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000645977966 374720409 /nfs/dbraw/zinc/72/04/09/374720409.db2.gz OWVFOAAPYGDFAE-NSHDSACASA-N 3 2 254.378 -0.510 20 0 CBADLP C[NH+]1CCC2(CC1)C[N@H+](CCNS(C)(=O)=O)CCO2 ZINC000646104520 374740314 /nfs/dbraw/zinc/74/03/14/374740314.db2.gz PADFIOMNAVZHGI-UHFFFAOYSA-N 2 2 291.417 -0.668 20 0 CBADLP C[NH+]1CCC2(CC1)C[N@@H+](CCNS(C)(=O)=O)CCO2 ZINC000646104520 374740315 /nfs/dbraw/zinc/74/03/15/374740315.db2.gz PADFIOMNAVZHGI-UHFFFAOYSA-N 2 2 291.417 -0.668 20 0 CBADLP C[N@@H+]1CCN(C(=O)[C@H]2CC23CCOCC3)[C@@H](C[NH3+])C1 ZINC000646831914 374822245 /nfs/dbraw/zinc/82/22/45/374822245.db2.gz IQKJSCSHIAQUEC-NWDGAFQWSA-N 2 2 267.373 -0.096 20 0 CBADLP C[N@H+]1CCN(C(=O)[C@H]2CC23CCOCC3)[C@@H](C[NH3+])C1 ZINC000646831914 374822251 /nfs/dbraw/zinc/82/22/51/374822251.db2.gz IQKJSCSHIAQUEC-NWDGAFQWSA-N 2 2 267.373 -0.096 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000646340095 374770802 /nfs/dbraw/zinc/77/08/02/374770802.db2.gz BEPYQNKQEYKKCG-QWHCGFSZSA-N 2 2 296.415 -0.347 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000646340095 374770806 /nfs/dbraw/zinc/77/08/06/374770806.db2.gz BEPYQNKQEYKKCG-QWHCGFSZSA-N 2 2 296.415 -0.347 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+])CC1 ZINC000646408888 374775446 /nfs/dbraw/zinc/77/54/46/374775446.db2.gz QSWPLDRMJVQTTH-OCCSQVGLSA-N 2 2 298.431 -0.114 20 0 CBADLP C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000646443093 374779341 /nfs/dbraw/zinc/77/93/41/374779341.db2.gz BZLVYBNPHSAGBZ-MCIONIFRSA-N 2 2 297.399 -0.361 20 0 CBADLP C[N@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000646443093 374779347 /nfs/dbraw/zinc/77/93/47/374779347.db2.gz BZLVYBNPHSAGBZ-MCIONIFRSA-N 2 2 297.399 -0.361 20 0 CBADLP C[NH+]1CCC[C@@H]1[C@H]1COCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000646443093 374779352 /nfs/dbraw/zinc/77/93/52/374779352.db2.gz BZLVYBNPHSAGBZ-MCIONIFRSA-N 2 2 297.399 -0.361 20 0 CBADLP C[NH+]1CCC[C@@H]1[C@H]1COCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000646443093 374779356 /nfs/dbraw/zinc/77/93/56/374779356.db2.gz BZLVYBNPHSAGBZ-MCIONIFRSA-N 2 2 297.399 -0.361 20 0 CBADLP [NH3+]Cc1cccc(NC(=O)CN2CC[NH2+]CC2=O)c1 ZINC000646579308 374790709 /nfs/dbraw/zinc/79/07/09/374790709.db2.gz VJTXPPPWYUOIEY-UHFFFAOYSA-N 2 2 262.313 -0.484 20 0 CBADLP [NH3+][C@H]1CCC[C@H](CNC(=O)CN2CC[NH2+]CC2=O)C1 ZINC000647073640 374879264 /nfs/dbraw/zinc/87/92/64/374879264.db2.gz LLPUMRGFMMKHQB-QWRGUYRKSA-N 2 2 268.361 -0.948 20 0 CBADLP COc1ncncc1C[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000647176710 374890529 /nfs/dbraw/zinc/89/05/29/374890529.db2.gz VTSDHFLCVWVUNQ-UHFFFAOYSA-N 2 2 279.344 -0.651 20 0 CBADLP COc1ncncc1C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000647202189 374892144 /nfs/dbraw/zinc/89/21/44/374892144.db2.gz PPWDQEYLRMOLCM-LBPRGKRZSA-N 2 2 252.318 -0.359 20 0 CBADLP COc1ncncc1C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000647202189 374892149 /nfs/dbraw/zinc/89/21/49/374892149.db2.gz PPWDQEYLRMOLCM-LBPRGKRZSA-N 2 2 252.318 -0.359 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@H]1CCC[NH2+]CC1 ZINC000646985986 374855628 /nfs/dbraw/zinc/85/56/28/374855628.db2.gz OOYLOAAAZHGGOZ-LBPRGKRZSA-N 2 2 284.404 -0.299 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@H]1CCC[NH2+]CC1 ZINC000646985986 374855634 /nfs/dbraw/zinc/85/56/34/374855634.db2.gz OOYLOAAAZHGGOZ-LBPRGKRZSA-N 2 2 284.404 -0.299 20 0 CBADLP CC[C@H]1CN(C(=O)CN2CC[NH2+]CC2=O)CC[C@H]1[NH3+] ZINC000647014711 374859762 /nfs/dbraw/zinc/85/97/62/374859762.db2.gz AMDFCJWYEBCQMI-WDEREUQCSA-N 2 2 268.361 -0.996 20 0 CBADLP C[C@H](CNC[C@H](O)C[NH+]1CCN(C)CC1)[N@H+](C)C1CC1 ZINC000574632493 335035274 /nfs/dbraw/zinc/03/52/74/335035274.db2.gz XGYWUQXQSVTTRT-HIFRSBDPSA-N 2 2 284.448 -0.333 20 0 CBADLP C[C@H](CNC[C@H](O)C[NH+]1CCN(C)CC1)[N@@H+](C)C1CC1 ZINC000574632493 335035276 /nfs/dbraw/zinc/03/52/76/335035276.db2.gz XGYWUQXQSVTTRT-HIFRSBDPSA-N 2 2 284.448 -0.333 20 0 CBADLP Cc1cccc2[nH+]c(CNC(=O)[C@H]3C[C@@H](O)C[NH2+]3)cn21 ZINC000262361430 190053997 /nfs/dbraw/zinc/05/39/97/190053997.db2.gz IRGMBPWMDJZPBZ-VXGBXAGGSA-N 2 2 274.324 -0.018 20 0 CBADLP COCC[N@H+](C)CCNC(=O)NCc1[nH+]ccn1C ZINC000264057234 190090535 /nfs/dbraw/zinc/09/05/35/190090535.db2.gz AQKUCZCAOCMXFC-UHFFFAOYSA-N 2 2 269.349 -0.203 20 0 CBADLP COCC[N@@H+](C)CCNC(=O)NCc1[nH+]ccn1C ZINC000264057234 190090536 /nfs/dbraw/zinc/09/05/36/190090536.db2.gz AQKUCZCAOCMXFC-UHFFFAOYSA-N 2 2 269.349 -0.203 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000264325032 190103614 /nfs/dbraw/zinc/10/36/14/190103614.db2.gz QUGCCFUTQFMWEB-RYUDHWBXSA-N 2 2 281.360 -0.099 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000264325032 190103615 /nfs/dbraw/zinc/10/36/15/190103615.db2.gz QUGCCFUTQFMWEB-RYUDHWBXSA-N 2 2 281.360 -0.099 20 0 CBADLP C[C@@H](C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C)[NH+]1CCOCC1 ZINC000356393441 248242209 /nfs/dbraw/zinc/24/22/09/248242209.db2.gz RSPIEYCTQGOHJX-UTUOFQBUSA-N 2 2 255.362 -0.084 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCNC(=O)c1ccn[nH]1 ZINC000355765632 248190624 /nfs/dbraw/zinc/19/06/24/248190624.db2.gz KBJTZHBSNULKEL-MWLCHTKSSA-N 2 2 251.334 -0.321 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCNC(=O)c1ccn[nH]1 ZINC000355765632 248190631 /nfs/dbraw/zinc/19/06/31/248190631.db2.gz KBJTZHBSNULKEL-MWLCHTKSSA-N 2 2 251.334 -0.321 20 0 CBADLP C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357079904 248318411 /nfs/dbraw/zinc/31/84/11/248318411.db2.gz DIUOOFPOAOPYBN-MXWKQRLJSA-N 2 2 280.372 -0.096 20 0 CBADLP C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357079904 248318414 /nfs/dbraw/zinc/31/84/14/248318414.db2.gz DIUOOFPOAOPYBN-MXWKQRLJSA-N 2 2 280.372 -0.096 20 0 CBADLP Cn1cc([C@@H]2C[N@H+](CCOCC[NH3+])CCO2)cn1 ZINC000357075516 248318496 /nfs/dbraw/zinc/31/84/96/248318496.db2.gz NMPJHISYJZSTOW-LBPRGKRZSA-N 2 2 254.334 -0.231 20 0 CBADLP Cn1cc([C@@H]2C[N@@H+](CCOCC[NH3+])CCO2)cn1 ZINC000357075516 248318498 /nfs/dbraw/zinc/31/84/98/248318498.db2.gz NMPJHISYJZSTOW-LBPRGKRZSA-N 2 2 254.334 -0.231 20 0 CBADLP CCS(=O)(=O)NCC[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357081329 248319671 /nfs/dbraw/zinc/31/96/71/248319671.db2.gz NSXDKJDOAYPQBM-WDEREUQCSA-N 2 2 261.391 -0.533 20 0 CBADLP CCS(=O)(=O)NCC[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357081329 248319675 /nfs/dbraw/zinc/31/96/75/248319675.db2.gz NSXDKJDOAYPQBM-WDEREUQCSA-N 2 2 261.391 -0.533 20 0 CBADLP CN(C)CC[N@H+](C)CCCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000356532316 248264613 /nfs/dbraw/zinc/26/46/13/248264613.db2.gz UCOJWCJQXNOYLY-ZDUSSCGKSA-N 2 2 286.420 -0.683 20 0 CBADLP CN(C)CC[N@@H+](C)CCCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000356532316 248264618 /nfs/dbraw/zinc/26/46/18/248264618.db2.gz UCOJWCJQXNOYLY-ZDUSSCGKSA-N 2 2 286.420 -0.683 20 0 CBADLP CN(C)CC[NH+](C)CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000356532316 248264624 /nfs/dbraw/zinc/26/46/24/248264624.db2.gz UCOJWCJQXNOYLY-ZDUSSCGKSA-N 2 2 286.420 -0.683 20 0 CBADLP CN(C)CC[NH+](C)CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000356532316 248264627 /nfs/dbraw/zinc/26/46/27/248264627.db2.gz UCOJWCJQXNOYLY-ZDUSSCGKSA-N 2 2 286.420 -0.683 20 0 CBADLP CN(CCCNC(=O)[C@@H]1C[N@H+](C)CCO1)CC[NH+](C)C ZINC000356532316 248264634 /nfs/dbraw/zinc/26/46/34/248264634.db2.gz UCOJWCJQXNOYLY-ZDUSSCGKSA-N 2 2 286.420 -0.683 20 0 CBADLP CN(CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1)CC[NH+](C)C ZINC000356532316 248264641 /nfs/dbraw/zinc/26/46/41/248264641.db2.gz UCOJWCJQXNOYLY-ZDUSSCGKSA-N 2 2 286.420 -0.683 20 0 CBADLP COC1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000357289029 248345425 /nfs/dbraw/zinc/34/54/25/248345425.db2.gz BEORGRHDESWFDN-UHFFFAOYSA-N 2 2 255.362 -0.129 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000357510169 248372008 /nfs/dbraw/zinc/37/20/08/248372008.db2.gz CHDWBYDRUJWPBT-UONOGXRCSA-N 2 2 299.415 -0.114 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000357510169 248372011 /nfs/dbraw/zinc/37/20/11/248372011.db2.gz CHDWBYDRUJWPBT-UONOGXRCSA-N 2 2 299.415 -0.114 20 0 CBADLP C[N@H+](CCCC(=O)NC(N)=O)C1CC[NH+](CCO)CC1 ZINC000357648487 248387091 /nfs/dbraw/zinc/38/70/91/248387091.db2.gz MECVUVXETINXRX-UHFFFAOYSA-N 2 2 286.376 -0.650 20 0 CBADLP C[N@@H+](CCCC(=O)NC(N)=O)C1CC[NH+](CCO)CC1 ZINC000357648487 248387096 /nfs/dbraw/zinc/38/70/96/248387096.db2.gz MECVUVXETINXRX-UHFFFAOYSA-N 2 2 286.376 -0.650 20 0 CBADLP NC(=O)NC(=O)C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000363413545 295074878 /nfs/dbraw/zinc/07/48/78/295074878.db2.gz DQVDXUDCSDSRDT-OUAUKWLOSA-N 2 2 266.345 -0.403 20 0 CBADLP NC(=O)NC(=O)C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000363413545 295074880 /nfs/dbraw/zinc/07/48/80/295074880.db2.gz DQVDXUDCSDSRDT-OUAUKWLOSA-N 2 2 266.345 -0.403 20 0 CBADLP NC(=O)NC(=O)C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363413545 295074882 /nfs/dbraw/zinc/07/48/82/295074882.db2.gz DQVDXUDCSDSRDT-OUAUKWLOSA-N 2 2 266.345 -0.403 20 0 CBADLP NC(=O)NC(=O)C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363413545 295074885 /nfs/dbraw/zinc/07/48/85/295074885.db2.gz DQVDXUDCSDSRDT-OUAUKWLOSA-N 2 2 266.345 -0.403 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000653129909 412885301 /nfs/dbraw/zinc/88/53/01/412885301.db2.gz NONWCSYXQILUDZ-RVMXOQNASA-N 3 2 268.405 -0.149 20 0 CBADLP NS(=O)(=O)CCC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000172940513 295281244 /nfs/dbraw/zinc/28/12/44/295281244.db2.gz ASERELXUOILTQM-LBPRGKRZSA-N 2 2 291.417 -0.681 20 0 CBADLP NS(=O)(=O)CCC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000172940513 295281245 /nfs/dbraw/zinc/28/12/45/295281245.db2.gz ASERELXUOILTQM-LBPRGKRZSA-N 2 2 291.417 -0.681 20 0 CBADLP Cn1cc[nH+]c1CNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000266099121 190230494 /nfs/dbraw/zinc/23/04/94/190230494.db2.gz CUCLSTVVAXTZJZ-LLVKDONJSA-N 2 2 293.371 -0.554 20 0 CBADLP CC(C)([NH3+])CN1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000346836597 218029872 /nfs/dbraw/zinc/02/98/72/218029872.db2.gz URGRAUHQIICHEK-UHFFFAOYSA-N 2 2 268.405 -0.036 20 0 CBADLP CC(C)([NH3+])CN1CC[NH+](CC(=O)N2CCOCC2)CC1 ZINC000346854023 218037675 /nfs/dbraw/zinc/03/76/75/218037675.db2.gz YPKHTRDGUYRZHU-UHFFFAOYSA-N 2 2 284.404 -0.800 20 0 CBADLP CS(=O)(=O)N[C@H]1CC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000346991002 218081029 /nfs/dbraw/zinc/08/10/29/218081029.db2.gz SMQYGWJOYOWSKQ-QWRGUYRKSA-N 2 2 261.391 -0.391 20 0 CBADLP CS(=O)(=O)N[C@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000346991002 218081031 /nfs/dbraw/zinc/08/10/31/218081031.db2.gz SMQYGWJOYOWSKQ-QWRGUYRKSA-N 2 2 261.391 -0.391 20 0 CBADLP C[C@@H]1CCC[N@H+](Cc2cn(C)c(=O)n(C)c2=O)[C@@H]1C[NH3+] ZINC000347080405 218115593 /nfs/dbraw/zinc/11/55/93/218115593.db2.gz XMGDJISRBRQRJG-ZYHUDNBSSA-N 2 2 280.372 -0.357 20 0 CBADLP C[C@@H]1CCC[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)[C@@H]1C[NH3+] ZINC000347080405 218115596 /nfs/dbraw/zinc/11/55/96/218115596.db2.gz XMGDJISRBRQRJG-ZYHUDNBSSA-N 2 2 280.372 -0.357 20 0 CBADLP O[C@@H]1C[NH+](Cc2ccc(-n3cc[nH+]c3)nc2)C[C@H]1O ZINC000278772426 194148165 /nfs/dbraw/zinc/14/81/65/194148165.db2.gz NFZLKAPUROLIJN-VXGBXAGGSA-N 2 2 260.297 -0.195 20 0 CBADLP [NH3+]CC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000347483178 218250618 /nfs/dbraw/zinc/25/06/18/218250618.db2.gz UYVDJJHHKLAJNF-LLVKDONJSA-N 2 2 259.375 -0.731 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000266882497 190286933 /nfs/dbraw/zinc/28/69/33/190286933.db2.gz AMNUJNLWTDBZKZ-SECBINFHSA-N 2 2 280.332 -0.875 20 0 CBADLP CC[C@H](C(N)=O)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000266944707 190292135 /nfs/dbraw/zinc/29/21/35/190292135.db2.gz SEDFUSPBBWRICI-SNVBAGLBSA-N 2 2 251.334 -0.194 20 0 CBADLP C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)Cn1cc[nH+]c1 ZINC000267082055 190302446 /nfs/dbraw/zinc/30/24/46/190302446.db2.gz JEMOUHBCWLVPTD-VXGBXAGGSA-N 2 2 266.345 -0.034 20 0 CBADLP C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)Cn1cc[nH+]c1 ZINC000267082055 190302447 /nfs/dbraw/zinc/30/24/47/190302447.db2.gz JEMOUHBCWLVPTD-VXGBXAGGSA-N 2 2 266.345 -0.034 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NCCC[NH+]1CCOCC1 ZINC000347741058 218340417 /nfs/dbraw/zinc/34/04/17/218340417.db2.gz POYDMIBOSOATIG-AWEZNQCLSA-N 2 2 299.415 -0.207 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)C(=O)NCCC[NH+]1CCOCC1 ZINC000347741060 218340798 /nfs/dbraw/zinc/34/07/98/218340798.db2.gz POYDMIBOSOATIG-CQSZACIVSA-N 2 2 299.415 -0.207 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N[C@H]2CCC[N@H+](C)[C@@H]2C)CC1 ZINC000347764837 218348994 /nfs/dbraw/zinc/34/89/94/218348994.db2.gz AUHWENNXOFAMQD-OLZOCXBDSA-N 2 2 296.415 -0.251 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N[C@H]2CCC[N@@H+](C)[C@@H]2C)CC1 ZINC000347764837 218348997 /nfs/dbraw/zinc/34/89/97/218348997.db2.gz AUHWENNXOFAMQD-OLZOCXBDSA-N 2 2 296.415 -0.251 20 0 CBADLP Cc1[nH+]c[nH]c1CNC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000267888644 190360573 /nfs/dbraw/zinc/36/05/73/190360573.db2.gz RXSRCEZQKHAGRU-NSHDSACASA-N 2 2 293.371 -0.256 20 0 CBADLP Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000267887750 190360630 /nfs/dbraw/zinc/36/06/30/190360630.db2.gz RXSRCEZQKHAGRU-LLVKDONJSA-N 2 2 293.371 -0.256 20 0 CBADLP C[C@@H]1CCCCN1C(=O)C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031344 296307864 /nfs/dbraw/zinc/30/78/64/296307864.db2.gz RNZNVDLSLOSRRL-CYBMUJFWSA-N 2 2 296.415 -0.249 20 0 CBADLP C[C@@H]1CCCCN1C(=O)C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031344 296307866 /nfs/dbraw/zinc/30/78/66/296307866.db2.gz RNZNVDLSLOSRRL-CYBMUJFWSA-N 2 2 296.415 -0.249 20 0 CBADLP C[C@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)[C@H](C)[NH+]1CCOCC1 ZINC000081355108 207362156 /nfs/dbraw/zinc/36/21/56/207362156.db2.gz BJJLVOXDLLEHNQ-AVGNSLFASA-N 2 2 285.388 -0.458 20 0 CBADLP C[C@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)[C@H](C)[NH+]1CCOCC1 ZINC000081355108 207362160 /nfs/dbraw/zinc/36/21/60/207362160.db2.gz BJJLVOXDLLEHNQ-AVGNSLFASA-N 2 2 285.388 -0.458 20 0 CBADLP C[C@@H](CNC(=O)CN1CC[NH2+]CC1=O)[NH+]1CCC(C)CC1 ZINC000166341252 207397712 /nfs/dbraw/zinc/39/77/12/207397712.db2.gz GKQKCQCZAGZJDX-ZDUSSCGKSA-N 2 2 296.415 -0.345 20 0 CBADLP O=C(C[NH2+]C[C@@H]1CCCO1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000165522317 207398912 /nfs/dbraw/zinc/39/89/12/207398912.db2.gz LBCIVCQACQDVCJ-KGLIPLIRSA-N 2 2 297.399 -0.312 20 0 CBADLP C[C@@H](NC(=O)C1(C)C[NH2+]C1)[C@H](C)[NH+]1CCOCC1 ZINC000423391560 207894079 /nfs/dbraw/zinc/89/40/79/207894079.db2.gz XBNUOYIBBWFQEC-MNOVXSKESA-N 2 2 255.362 -0.179 20 0 CBADLP O=C1NC(=O)N2CC[N@H+](C[C@@H]3CCC[NH2+]C3)C[C@H]12 ZINC000346978998 296357349 /nfs/dbraw/zinc/35/73/49/296357349.db2.gz LNZPBSFHKYCHBX-NXEZZACHSA-N 2 2 252.318 -0.778 20 0 CBADLP O=C1NC(=O)N2CC[N@@H+](C[C@@H]3CCC[NH2+]C3)C[C@H]12 ZINC000346978998 296357351 /nfs/dbraw/zinc/35/73/51/296357351.db2.gz LNZPBSFHKYCHBX-NXEZZACHSA-N 2 2 252.318 -0.778 20 0 CBADLP O=C(NCCC[N@@H+]1CCNC(=O)C1)[C@H]1CCC[NH+]1C1CC1 ZINC000426981558 208053022 /nfs/dbraw/zinc/05/30/22/208053022.db2.gz PCBSGJOMXYBJRO-CYBMUJFWSA-N 2 2 294.399 -0.449 20 0 CBADLP O=C(NCCC[N@H+]1CCNC(=O)C1)[C@H]1CCC[NH+]1C1CC1 ZINC000426981558 208053028 /nfs/dbraw/zinc/05/30/28/208053028.db2.gz PCBSGJOMXYBJRO-CYBMUJFWSA-N 2 2 294.399 -0.449 20 0 CBADLP O=C(NCCC[NH+]1CCNC(=O)C1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000426981558 208053034 /nfs/dbraw/zinc/05/30/34/208053034.db2.gz PCBSGJOMXYBJRO-CYBMUJFWSA-N 2 2 294.399 -0.449 20 0 CBADLP O=C(NCCC[NH+]1CCNC(=O)C1)[C@H]1CCC[N@H+]1C1CC1 ZINC000426981558 208053041 /nfs/dbraw/zinc/05/30/41/208053041.db2.gz PCBSGJOMXYBJRO-CYBMUJFWSA-N 2 2 294.399 -0.449 20 0 CBADLP CCS(=O)(=O)NCC[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428041861 208076430 /nfs/dbraw/zinc/07/64/30/208076430.db2.gz AACCHWSMVJVLCO-GHMZBOCLSA-N 2 2 261.391 -0.391 20 0 CBADLP CCS(=O)(=O)NCC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428041861 208076434 /nfs/dbraw/zinc/07/64/34/208076434.db2.gz AACCHWSMVJVLCO-GHMZBOCLSA-N 2 2 261.391 -0.391 20 0 CBADLP CC[C@@H]1C[N@H+](CCNC(=O)[C@@H]2C[NH+](C)CCO2)CCO1 ZINC000428086311 208076654 /nfs/dbraw/zinc/07/66/54/208076654.db2.gz BCIIOVKLXFLWRK-OLZOCXBDSA-N 2 2 285.388 -0.456 20 0 CBADLP CC[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2C[NH+](C)CCO2)CCO1 ZINC000428086311 208076657 /nfs/dbraw/zinc/07/66/57/208076657.db2.gz BCIIOVKLXFLWRK-OLZOCXBDSA-N 2 2 285.388 -0.456 20 0 CBADLP CC[C@@H]1C[NH+](CCNC(=O)[C@@H]2C[N@H+](C)CCO2)CCO1 ZINC000428086311 208076663 /nfs/dbraw/zinc/07/66/63/208076663.db2.gz BCIIOVKLXFLWRK-OLZOCXBDSA-N 2 2 285.388 -0.456 20 0 CBADLP CC[C@@H]1C[NH+](CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)CCO1 ZINC000428086311 208076668 /nfs/dbraw/zinc/07/66/68/208076668.db2.gz BCIIOVKLXFLWRK-OLZOCXBDSA-N 2 2 285.388 -0.456 20 0 CBADLP CCS(=O)(=O)NCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428041863 208076680 /nfs/dbraw/zinc/07/66/80/208076680.db2.gz AACCHWSMVJVLCO-MNOVXSKESA-N 2 2 261.391 -0.391 20 0 CBADLP CCS(=O)(=O)NCC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428041863 208076686 /nfs/dbraw/zinc/07/66/86/208076686.db2.gz AACCHWSMVJVLCO-MNOVXSKESA-N 2 2 261.391 -0.391 20 0 CBADLP C[C@H](C(=O)N1CCC(C[NH3+])CC1)[NH+]1CCOCC1 ZINC000428147781 208082711 /nfs/dbraw/zinc/08/27/11/208082711.db2.gz FSQKIRCCYOAASC-LLVKDONJSA-N 2 2 255.362 -0.096 20 0 CBADLP C[C@@H](C(=O)N1CCC[C@H](C[NH3+])C1)[NH+]1CCOCC1 ZINC000428538969 208090069 /nfs/dbraw/zinc/09/00/69/208090069.db2.gz OXZLYBZHGPGQRD-NWDGAFQWSA-N 2 2 255.362 -0.096 20 0 CBADLP C[C@H](C(=O)N1CCC[C@@H](C[NH3+])C1)[NH+]1CCOCC1 ZINC000428538968 208090949 /nfs/dbraw/zinc/09/09/49/208090949.db2.gz OXZLYBZHGPGQRD-NEPJUHHUSA-N 2 2 255.362 -0.096 20 0 CBADLP C[C@@H](C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1)[NH+]1CCOCC1 ZINC000429367241 208118999 /nfs/dbraw/zinc/11/89/99/208118999.db2.gz VGWHNBGBODVLMX-TUAOUCFPSA-N 2 2 255.362 -0.084 20 0 CBADLP C[C@H](NC(=O)C[NH2+]C[C@@H]1CCCO1)[C@H](C)[NH+]1CCOCC1 ZINC000430715063 208174827 /nfs/dbraw/zinc/17/48/27/208174827.db2.gz QYZRYGMBTKEVSR-IHRRRGAJSA-N 2 2 299.415 -0.020 20 0 CBADLP CC(C)[C@H]([NH3+])CC[N@H+](C)CC(=O)N[C@@H](C)C(=O)N(C)C ZINC000430548995 208164003 /nfs/dbraw/zinc/16/40/03/208164003.db2.gz XBSLURGTNIEQHV-NWDGAFQWSA-N 2 2 286.420 -0.116 20 0 CBADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC(=O)N[C@@H](C)C(=O)N(C)C ZINC000430548995 208164009 /nfs/dbraw/zinc/16/40/09/208164009.db2.gz XBSLURGTNIEQHV-NWDGAFQWSA-N 2 2 286.420 -0.116 20 0 CBADLP C[C@@](C[NH3+])([NH2+]CC(=O)NCC(=O)N1CCCC1)C1CC1 ZINC000430597941 208167505 /nfs/dbraw/zinc/16/75/05/208167505.db2.gz RJMLZHPUJWPLSA-AWEZNQCLSA-N 2 2 282.388 -0.558 20 0 CBADLP [NH3+][C@H]1CC[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000430632149 208170282 /nfs/dbraw/zinc/17/02/82/208170282.db2.gz XILSLEIDTDYRTO-ZETCQYMHSA-N 2 2 282.266 -0.202 20 0 CBADLP [NH3+][C@H]1CC[N@@H+](CCC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000430632149 208170289 /nfs/dbraw/zinc/17/02/89/208170289.db2.gz XILSLEIDTDYRTO-ZETCQYMHSA-N 2 2 282.266 -0.202 20 0 CBADLP C[C@@H](CNC(=O)COC1C[NH2+]C1)Cn1cc[nH+]c1 ZINC000430692841 208171860 /nfs/dbraw/zinc/17/18/60/208171860.db2.gz WKKQMTWNVHEQRD-JTQLQIEISA-N 2 2 252.318 -0.376 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000430689170 208172232 /nfs/dbraw/zinc/17/22/32/208172232.db2.gz BDXBSNHNRSIIHP-VXGBXAGGSA-N 2 2 280.372 -0.839 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000430689170 208172238 /nfs/dbraw/zinc/17/22/38/208172238.db2.gz BDXBSNHNRSIIHP-VXGBXAGGSA-N 2 2 280.372 -0.839 20 0 CBADLP COC[C@H](C)NC(=O)NC(=O)C[NH+]1CCC([NH3+])CC1 ZINC000430669158 208172252 /nfs/dbraw/zinc/17/22/52/208172252.db2.gz SNWGYGNQWPFSCD-VIFPVBQESA-N 2 2 272.349 -0.730 20 0 CBADLP Cc1cccc(NCCNC(=O)[C@@H]2COCC[NH2+]2)[nH+]1 ZINC000430712902 208174514 /nfs/dbraw/zinc/17/45/14/208174514.db2.gz IPIHVHCRRYXXHG-NSHDSACASA-N 2 2 264.329 -0.093 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)C[C@H]2CCC[NH2+]2)CC1 ZINC000430737754 208177631 /nfs/dbraw/zinc/17/76/31/208177631.db2.gz CFCPVLSUGZIEKK-CYBMUJFWSA-N 2 2 282.388 -0.591 20 0 CBADLP CN(C)c1ccc(CNC(=O)CN2CC[NH2+]CC2=O)c[nH+]1 ZINC000430747848 208178562 /nfs/dbraw/zinc/17/85/62/208178562.db2.gz ARYFYIQYKAPVEY-UHFFFAOYSA-N 2 2 291.355 -0.804 20 0 CBADLP O=C(NCC1([NH+]2CCCC2)CCOCC1)[C@H]1COCC[NH2+]1 ZINC000430732449 208179045 /nfs/dbraw/zinc/17/90/45/208179045.db2.gz PGLWQNXEGXTGIH-CYBMUJFWSA-N 2 2 297.399 -0.264 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)CCC[NH3+])CC1 ZINC000430745994 208179923 /nfs/dbraw/zinc/17/99/23/208179923.db2.gz PJGUPWLFBHEDFE-UHFFFAOYSA-N 2 2 256.350 -0.994 20 0 CBADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC000430770944 208180493 /nfs/dbraw/zinc/18/04/93/208180493.db2.gz AQXCFKVDZKLUBC-ZDUSSCGKSA-N 3 2 284.404 -0.883 20 0 CBADLP C[C@@H]([NH3+])CC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000430839667 208183878 /nfs/dbraw/zinc/18/38/78/208183878.db2.gz PIKUCGCHOSSKAD-GFCCVEGCSA-N 2 2 282.388 -0.510 20 0 CBADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)C[C@@H]2CCC[NH2+]2)CC1 ZINC000430806864 208184059 /nfs/dbraw/zinc/18/40/59/208184059.db2.gz KABYCGLHELIOAK-NSHDSACASA-N 2 2 282.388 -0.463 20 0 CBADLP O=C(COC1C[NH2+]C1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000430881269 208188988 /nfs/dbraw/zinc/18/89/88/208188988.db2.gz ZSVDENMKODWCQD-ZDUSSCGKSA-N 2 2 297.399 -0.312 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000430899410 208191055 /nfs/dbraw/zinc/19/10/55/208191055.db2.gz LQYDFVAEOBPASI-ZDUSSCGKSA-N 2 2 294.399 -0.495 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@@H](C[NH3+])C2)CC1 ZINC000430931354 208193156 /nfs/dbraw/zinc/19/31/56/208193156.db2.gz BOXIJEZNBDNCFE-OLZOCXBDSA-N 3 2 268.405 -0.180 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@@H](C[NH3+])C2)CC1 ZINC000430931354 208193161 /nfs/dbraw/zinc/19/31/61/208193161.db2.gz BOXIJEZNBDNCFE-OLZOCXBDSA-N 3 2 268.405 -0.180 20 0 CBADLP C[C@@H]1C[N@H+](CC(=O)NCCCN2CCCC2=O)CC[C@@H]1[NH3+] ZINC000430960688 208194051 /nfs/dbraw/zinc/19/40/51/208194051.db2.gz LAGAXIRXWMVFSE-OLZOCXBDSA-N 2 2 296.415 -0.216 20 0 CBADLP C[C@@H]1C[N@@H+](CC(=O)NCCCN2CCCC2=O)CC[C@@H]1[NH3+] ZINC000430960688 208194053 /nfs/dbraw/zinc/19/40/53/208194053.db2.gz LAGAXIRXWMVFSE-OLZOCXBDSA-N 2 2 296.415 -0.216 20 0 CBADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](C[NH3+])C2)CC1 ZINC000430936670 208194276 /nfs/dbraw/zinc/19/42/76/208194276.db2.gz VRNCIUIBKACYPF-GFCCVEGCSA-N 3 2 268.405 -0.133 20 0 CBADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](C[NH3+])C2)CC1 ZINC000430936670 208194278 /nfs/dbraw/zinc/19/42/78/208194278.db2.gz VRNCIUIBKACYPF-GFCCVEGCSA-N 3 2 268.405 -0.133 20 0 CBADLP C[NH2+]C[C@@H](C)C(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000431003934 208195467 /nfs/dbraw/zinc/19/54/67/208195467.db2.gz DPXPXWFYYYBKQX-GFCCVEGCSA-N 2 2 279.388 -0.080 20 0 CBADLP C[NH2+]CCCC(=O)NC[C@H](C)[NH+]1CCN(C)CC1 ZINC000430999188 208195815 /nfs/dbraw/zinc/19/58/15/208195815.db2.gz BGVGEIPXGAEWNS-LBPRGKRZSA-N 2 2 256.394 -0.262 20 0 CBADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)NC(=O)N[C@H](C)COC)C1 ZINC000430970353 208196051 /nfs/dbraw/zinc/19/60/51/208196051.db2.gz JRVINZVUKIXQPS-GHMZBOCLSA-N 2 2 286.376 -0.612 20 0 CBADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)NC(=O)N[C@H](C)COC)C1 ZINC000430970353 208196056 /nfs/dbraw/zinc/19/60/56/208196056.db2.gz JRVINZVUKIXQPS-GHMZBOCLSA-N 2 2 286.376 -0.612 20 0 CBADLP CC[C@H]([NH3+])C(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000431010169 208197901 /nfs/dbraw/zinc/19/79/01/208197901.db2.gz MPOSFIVIUXNUHX-LBPRGKRZSA-N 2 2 265.361 -0.198 20 0 CBADLP C[C@@H]1CN(C(=O)COC2C[NH2+]C2)C[C@@H]1[NH+]1CCOCC1 ZINC000431011164 208198163 /nfs/dbraw/zinc/19/81/63/208198163.db2.gz BEZDBPZMDWJCPV-YPMHNXCESA-N 2 2 283.372 -0.846 20 0 CBADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)C(C)(C)C[NH3+] ZINC000431025572 208199438 /nfs/dbraw/zinc/19/94/38/208199438.db2.gz ZETPBNIGZWNLFJ-NSHDSACASA-N 2 2 256.394 -0.277 20 0 CBADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000431023509 208199646 /nfs/dbraw/zinc/19/96/46/208199646.db2.gz RFBAQABLCRRABG-JHJVBQTASA-N 2 2 268.405 -0.134 20 0 CBADLP C[C@H](CNC(=O)[C@H]1CC[C@@H]([NH3+])C1)[NH+]1CCN(C)CC1 ZINC000431013597 208200149 /nfs/dbraw/zinc/20/01/49/208200149.db2.gz YWBKMFMZYNUOKI-FRRDWIJNSA-N 2 2 268.405 -0.134 20 0 CBADLP C[NH2+]C[C@H](C)C(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000431027122 208200355 /nfs/dbraw/zinc/20/03/55/208200355.db2.gz HHDMAVJRYZQCDX-NWDGAFQWSA-N 2 2 256.394 -0.406 20 0 CBADLP C[C@H]1C[N@@H+](C2CCN(C(=O)[C@@H]3COCC[NH2+]3)CC2)CCO1 ZINC000431069077 208200874 /nfs/dbraw/zinc/20/08/74/208200874.db2.gz ZXYCAAIULQYTGK-JSGCOSHPSA-N 2 2 297.399 -0.314 20 0 CBADLP C[C@H]1C[N@H+](C2CCN(C(=O)[C@@H]3COCC[NH2+]3)CC2)CCO1 ZINC000431069077 208200879 /nfs/dbraw/zinc/20/08/79/208200879.db2.gz ZXYCAAIULQYTGK-JSGCOSHPSA-N 2 2 297.399 -0.314 20 0 CBADLP CC(C)[C@H](C[NH3+])C(=O)NC[C@@H](C)[NH+]1CCN(C)CC1 ZINC000433169496 208238793 /nfs/dbraw/zinc/23/87/93/208238793.db2.gz RNFWQHAZBJLRFA-OLZOCXBDSA-N 2 2 270.421 -0.031 20 0 CBADLP CC(C)OC[C@H](CO)[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000433148009 208239204 /nfs/dbraw/zinc/23/92/04/208239204.db2.gz PUOGRRCDFFBKCW-ZDUSSCGKSA-N 2 2 287.404 -0.522 20 0 CBADLP CC(C)OC[C@H](CO)[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000433148009 208239211 /nfs/dbraw/zinc/23/92/11/208239211.db2.gz PUOGRRCDFFBKCW-ZDUSSCGKSA-N 2 2 287.404 -0.522 20 0 CBADLP CC[NH+](CCC[N@@H+](CC)[C@H]1CCNC1=O)[C@H]1CCNC1=O ZINC000440959794 208347795 /nfs/dbraw/zinc/34/77/95/208347795.db2.gz LHZCIEWSIQTOBI-STQMWFEESA-N 2 2 296.415 -0.203 20 0 CBADLP CC[NH+](CCC[N@H+](CC)[C@H]1CCNC1=O)[C@H]1CCNC1=O ZINC000440959794 208347798 /nfs/dbraw/zinc/34/77/98/208347798.db2.gz LHZCIEWSIQTOBI-STQMWFEESA-N 2 2 296.415 -0.203 20 0 CBADLP CCC(CC)(CNC(=O)C[NH+](C)C)NC(=O)C[NH+](C)C ZINC000442655782 208358541 /nfs/dbraw/zinc/35/85/41/208358541.db2.gz VHYKOVBUNYAXHC-UHFFFAOYSA-N 2 2 286.420 -0.099 20 0 CBADLP C[C@@H]([NH3+])C[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000442662578 208359846 /nfs/dbraw/zinc/35/98/46/208359846.db2.gz HLMWUKPYUXJQQB-VXGBXAGGSA-N 2 2 255.362 -0.096 20 0 CBADLP C[C@@H]([NH3+])C[N@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000442662578 208359847 /nfs/dbraw/zinc/35/98/47/208359847.db2.gz HLMWUKPYUXJQQB-VXGBXAGGSA-N 2 2 255.362 -0.096 20 0 CBADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)NCC(=O)N1CCCC1 ZINC000442789659 208368174 /nfs/dbraw/zinc/36/81/74/208368174.db2.gz KASHEFJPZXZNPY-NWDGAFQWSA-N 2 2 282.388 -0.606 20 0 CBADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)NCC(=O)N1CCCC1 ZINC000442789659 208368181 /nfs/dbraw/zinc/36/81/81/208368181.db2.gz KASHEFJPZXZNPY-NWDGAFQWSA-N 2 2 282.388 -0.606 20 0 CBADLP C[C@H](NC(=O)C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C)C(=O)N(C)C ZINC000442785723 208368371 /nfs/dbraw/zinc/36/83/71/208368371.db2.gz YGCIYKGTYXXHPJ-DCAQKATOSA-N 2 2 270.377 -0.752 20 0 CBADLP C[C@H](NC(=O)C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C)C(=O)N(C)C ZINC000442785723 208368376 /nfs/dbraw/zinc/36/83/76/208368376.db2.gz YGCIYKGTYXXHPJ-DCAQKATOSA-N 2 2 270.377 -0.752 20 0 CBADLP C[NH+](C)Cc1ccc(CNC(=O)[C@H]([NH3+])CC(N)=O)cc1F ZINC000353730103 220287211 /nfs/dbraw/zinc/28/72/11/220287211.db2.gz PLXREPUNWWHKMH-GFCCVEGCSA-N 2 2 296.346 -0.294 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@]2(C)CCC[NH2+]2)CC1 ZINC000574813788 335049621 /nfs/dbraw/zinc/04/96/21/335049621.db2.gz KUVYTEYWWYLWER-ZDUSSCGKSA-N 2 2 255.362 -0.081 20 0 CBADLP CC[NH+]1CCC([N@H+](C)CC(=O)N[C@H](C)C(=O)N(C)C)CC1 ZINC000157498506 285186621 /nfs/dbraw/zinc/18/66/21/285186621.db2.gz LXUWYBVPIGXFAD-GFCCVEGCSA-N 2 2 298.431 -0.005 20 0 CBADLP CC[NH+]1CCC([N@@H+](C)CC(=O)N[C@H](C)C(=O)N(C)C)CC1 ZINC000157498506 285186622 /nfs/dbraw/zinc/18/66/22/285186622.db2.gz LXUWYBVPIGXFAD-GFCCVEGCSA-N 2 2 298.431 -0.005 20 0 CBADLP Cc1cc(N2CC[C@H]([NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)C2=O)n(C)n1 ZINC000359269251 291941649 /nfs/dbraw/zinc/94/16/49/291941649.db2.gz CIEAXAVPWFDDFP-AVGNSLFASA-N 2 2 289.383 -0.015 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NCCC[NH2+]C(C)C ZINC000575057815 335060195 /nfs/dbraw/zinc/06/01/95/335060195.db2.gz QGSQPZLOQWZUPL-UHFFFAOYSA-N 2 2 286.420 -0.053 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NCCC[NH2+]C(C)C ZINC000575057815 335060196 /nfs/dbraw/zinc/06/01/96/335060196.db2.gz QGSQPZLOQWZUPL-UHFFFAOYSA-N 2 2 286.420 -0.053 20 0 CBADLP C[C@H](C(=O)N1CCC[C@@H]([NH3+])C1)[NH+]1CCN(C)CC1 ZINC000575060827 335060684 /nfs/dbraw/zinc/06/06/84/335060684.db2.gz OIBNFBNJIPXTNE-VXGBXAGGSA-N 2 2 254.378 -0.428 20 0 CBADLP C[C@@H]1[C@H]([NH+](C)CCO)CCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000408080789 289038922 /nfs/dbraw/zinc/03/89/22/289038922.db2.gz CJCBZXRTGKQCRM-JHJVBQTASA-N 2 2 285.388 -0.770 20 0 CBADLP C[C@@H]1[C@H]([NH+](C)CCO)CCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000408080789 289038924 /nfs/dbraw/zinc/03/89/24/289038924.db2.gz CJCBZXRTGKQCRM-JHJVBQTASA-N 2 2 285.388 -0.770 20 0 CBADLP C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC000408080789 289038926 /nfs/dbraw/zinc/03/89/26/289038926.db2.gz CJCBZXRTGKQCRM-JHJVBQTASA-N 2 2 285.388 -0.770 20 0 CBADLP C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC000408080789 289038928 /nfs/dbraw/zinc/03/89/28/289038928.db2.gz CJCBZXRTGKQCRM-JHJVBQTASA-N 2 2 285.388 -0.770 20 0 CBADLP COC1(C(=O)NCC[N@@H+]2CCOCC2(C)C)CC[NH2+]CC1 ZINC000178763814 292093679 /nfs/dbraw/zinc/09/36/79/292093679.db2.gz HIZVAWMKXBHFKV-UHFFFAOYSA-N 2 2 299.415 -0.018 20 0 CBADLP COC1(C(=O)NCC[N@H+]2CCOCC2(C)C)CC[NH2+]CC1 ZINC000178763814 292093681 /nfs/dbraw/zinc/09/36/81/292093681.db2.gz HIZVAWMKXBHFKV-UHFFFAOYSA-N 2 2 299.415 -0.018 20 0 CBADLP CCOCC[N@@H+]1CCN(C(=O)[C@@H]2C[C@H](O)C[NH2+]2)C[C@H]1C ZINC000168044553 286086683 /nfs/dbraw/zinc/08/66/83/286086683.db2.gz WDIKMDGJUCCDQU-AGIUHOORSA-N 2 2 285.388 -0.722 20 0 CBADLP CCOCC[N@H+]1CCN(C(=O)[C@@H]2C[C@H](O)C[NH2+]2)C[C@H]1C ZINC000168044553 286086684 /nfs/dbraw/zinc/08/66/84/286086684.db2.gz WDIKMDGJUCCDQU-AGIUHOORSA-N 2 2 285.388 -0.722 20 0 CBADLP CCOCC[NH+]1CCN(C(=O)[C@@]2(COC)CC[NH2+]C2)CC1 ZINC000423325605 286086732 /nfs/dbraw/zinc/08/67/32/286086732.db2.gz QHYCZSOKOIWUHI-HNNXBMFYSA-N 2 2 299.415 -0.207 20 0 CBADLP COCC1(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)CC[NH2+]CC1 ZINC000358852260 292217573 /nfs/dbraw/zinc/21/75/73/292217573.db2.gz FXSDOASUKIZKBA-ZDUSSCGKSA-N 2 2 299.415 -0.161 20 0 CBADLP COCC1(C(=O)NCC[N@H+]2CCOC[C@@H]2C)CC[NH2+]CC1 ZINC000358852260 292217574 /nfs/dbraw/zinc/21/75/74/292217574.db2.gz FXSDOASUKIZKBA-ZDUSSCGKSA-N 2 2 299.415 -0.161 20 0 CBADLP COCC1(C(=O)N[C@H](C)C[NH+]2CCOCC2)CC[NH2+]CC1 ZINC000234676166 292220853 /nfs/dbraw/zinc/22/08/53/292220853.db2.gz YAUFLLZJLBPDHQ-CYBMUJFWSA-N 2 2 299.415 -0.161 20 0 CBADLP COc1c(N)[nH+]cnc1NCC[N@@H+]1CC[C@@H](O)C1 ZINC000624681014 409701245 /nfs/dbraw/zinc/70/12/45/409701245.db2.gz POIMXDMRYQCUJZ-MRVPVSSYSA-N 2 2 253.306 -0.454 20 0 CBADLP COc1c(N)[nH+]cnc1NCC[N@H+]1CC[C@@H](O)C1 ZINC000624681014 409701255 /nfs/dbraw/zinc/70/12/55/409701255.db2.gz POIMXDMRYQCUJZ-MRVPVSSYSA-N 2 2 253.306 -0.454 20 0 CBADLP COCC[NH2+]CC(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000361717270 292559570 /nfs/dbraw/zinc/55/95/70/292559570.db2.gz CNLPPXNDTXBEDI-KBPBESRZSA-N 2 2 299.415 -0.018 20 0 CBADLP C[N@@H+]1CC[C@@H]2OCCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC000284906282 196155398 /nfs/dbraw/zinc/15/53/98/196155398.db2.gz HPLITGDWYMMGHJ-NEPJUHHUSA-N 2 2 264.329 -0.185 20 0 CBADLP C[N@H+]1CC[C@@H]2OCCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC000284906282 196155400 /nfs/dbraw/zinc/15/54/00/196155400.db2.gz HPLITGDWYMMGHJ-NEPJUHHUSA-N 2 2 264.329 -0.185 20 0 CBADLP CN(Cc1[nH+]ccn1C)C(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000285072302 196190477 /nfs/dbraw/zinc/19/04/77/196190477.db2.gz OTNUAFCBAOKXFM-UHFFFAOYSA-N 2 2 293.371 -0.411 20 0 CBADLP CN(Cc1[nH+]ccn1C)C(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000285072302 196190481 /nfs/dbraw/zinc/19/04/81/196190481.db2.gz OTNUAFCBAOKXFM-UHFFFAOYSA-N 2 2 293.371 -0.411 20 0 CBADLP CN(C(=O)[C@H]1CC[NH2+]1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662900988 414059130 /nfs/dbraw/zinc/05/91/30/414059130.db2.gz QZRLBFKHDNZHCV-UONOGXRCSA-N 3 2 280.416 -0.025 20 0 CBADLP CN(C(=O)[C@H]1CC[NH2+]1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662900988 414059137 /nfs/dbraw/zinc/05/91/37/414059137.db2.gz QZRLBFKHDNZHCV-UONOGXRCSA-N 3 2 280.416 -0.025 20 0 CBADLP O=S(=O)(NCCC[NH+]1CCOCC1)[C@@H]1CCC[NH2+]C1 ZINC000037393640 173174745 /nfs/dbraw/zinc/17/47/45/173174745.db2.gz RLUCLVAAMIRJRN-GFCCVEGCSA-N 2 2 291.417 -0.620 20 0 CBADLP Cc1nn(C)c(C)c1C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038030965 174023459 /nfs/dbraw/zinc/02/34/59/174023459.db2.gz YYWCEXZMJLKOHV-UHFFFAOYSA-N 2 2 279.388 -0.099 20 0 CBADLP Cc1nn(C)c(C)c1C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038030965 174023461 /nfs/dbraw/zinc/02/34/61/174023461.db2.gz YYWCEXZMJLKOHV-UHFFFAOYSA-N 2 2 279.388 -0.099 20 0 CBADLP C[C@H](C(=O)NC(C)(C)C)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031534 174026459 /nfs/dbraw/zinc/02/64/59/174026459.db2.gz UNCLAXWOMCECCL-LLVKDONJSA-N 2 2 284.404 -0.347 20 0 CBADLP C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031534 174026460 /nfs/dbraw/zinc/02/64/60/174026460.db2.gz UNCLAXWOMCECCL-LLVKDONJSA-N 2 2 284.404 -0.347 20 0 CBADLP CSCC[C@H]([NH3+])C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000040462475 174271717 /nfs/dbraw/zinc/27/17/17/174271717.db2.gz SYTXTZOASYYDTD-MNOVXSKESA-N 2 2 275.418 -0.096 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[N@@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000040599853 174350134 /nfs/dbraw/zinc/35/01/34/174350134.db2.gz ZLSPAFGTDAFYCS-CYBMUJFWSA-N 2 2 298.431 -0.098 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[N@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000040599853 174350135 /nfs/dbraw/zinc/35/01/35/174350135.db2.gz ZLSPAFGTDAFYCS-CYBMUJFWSA-N 2 2 298.431 -0.098 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[N@@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000040599856 174350259 /nfs/dbraw/zinc/35/02/59/174350259.db2.gz ZLSPAFGTDAFYCS-ZDUSSCGKSA-N 2 2 298.431 -0.098 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[N@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000040599856 174350260 /nfs/dbraw/zinc/35/02/60/174350260.db2.gz ZLSPAFGTDAFYCS-ZDUSSCGKSA-N 2 2 298.431 -0.098 20 0 CBADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC000040601552 174351430 /nfs/dbraw/zinc/35/14/30/174351430.db2.gz AYNUBVFBOZUREY-NSHDSACASA-N 2 2 280.372 -0.485 20 0 CBADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC000040601552 174351432 /nfs/dbraw/zinc/35/14/32/174351432.db2.gz AYNUBVFBOZUREY-NSHDSACASA-N 2 2 280.372 -0.485 20 0 CBADLP CC(C)(CNC(=O)[C@@H]1C[NH2+]CCO1)[NH+]1CCOCC1 ZINC000043800588 175106084 /nfs/dbraw/zinc/10/60/84/175106084.db2.gz WJZBUNZNYDEPJM-NSHDSACASA-N 2 2 271.361 -0.798 20 0 CBADLP CC(C)C[C@H](CNC(=O)[C@@H]1C[NH2+]CCO1)[NH+]1CCOCC1 ZINC000043800703 175106089 /nfs/dbraw/zinc/10/60/89/175106089.db2.gz HGRZXCMGDOWKRV-KGLIPLIRSA-N 2 2 299.415 -0.162 20 0 CBADLP CCCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000044529274 175194242 /nfs/dbraw/zinc/19/42/42/175194242.db2.gz KABJRRGEGKBGKY-JTQLQIEISA-N 2 2 256.350 -0.107 20 0 CBADLP CCCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000044529274 175194244 /nfs/dbraw/zinc/19/42/44/175194244.db2.gz KABJRRGEGKBGKY-JTQLQIEISA-N 2 2 256.350 -0.107 20 0 CBADLP C[C@H]([NH3+])CC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000430772973 298951857 /nfs/dbraw/zinc/95/18/57/298951857.db2.gz PGCWFXKQHBNBOW-NSHDSACASA-N 3 2 256.394 -0.134 20 0 CBADLP C[C@@H]1C(=O)NCC[N@H+]1CCCCC[NH+]1CCNC(=O)[C@@H]1C ZINC000077278090 177248145 /nfs/dbraw/zinc/24/81/45/177248145.db2.gz GVAZMXWUUGVXOS-BETUJISGSA-N 2 2 296.415 -0.203 20 0 CBADLP C[C@@H]1C(=O)NCC[N@@H+]1CCCCC[NH+]1CCNC(=O)[C@@H]1C ZINC000077278090 177248147 /nfs/dbraw/zinc/24/81/47/177248147.db2.gz GVAZMXWUUGVXOS-BETUJISGSA-N 2 2 296.415 -0.203 20 0 CBADLP C[C@@H]1C(=O)NCC[NH+]1CCCCC[N@@H+]1CCNC(=O)[C@@H]1C ZINC000077278090 177248149 /nfs/dbraw/zinc/24/81/49/177248149.db2.gz GVAZMXWUUGVXOS-BETUJISGSA-N 2 2 296.415 -0.203 20 0 CBADLP C[C@@H]1C(=O)NCC[NH+]1CCCCC[N@H+]1CCNC(=O)[C@@H]1C ZINC000077278090 177248150 /nfs/dbraw/zinc/24/81/50/177248150.db2.gz GVAZMXWUUGVXOS-BETUJISGSA-N 2 2 296.415 -0.203 20 0 CBADLP C[C@H](NC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1)C(=O)N(C)C ZINC000123513677 299048255 /nfs/dbraw/zinc/04/82/55/299048255.db2.gz AQPVAKKMBJZILY-RWMBFGLXSA-N 2 2 298.431 -0.006 20 0 CBADLP C[C@H](NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1)C(=O)N(C)C ZINC000123513677 299048258 /nfs/dbraw/zinc/04/82/58/299048258.db2.gz AQPVAKKMBJZILY-RWMBFGLXSA-N 2 2 298.431 -0.006 20 0 CBADLP C[C@H](NC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)C(=O)N(C)C ZINC000123513677 299048260 /nfs/dbraw/zinc/04/82/60/299048260.db2.gz AQPVAKKMBJZILY-RWMBFGLXSA-N 2 2 298.431 -0.006 20 0 CBADLP C[C@H](NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)C(=O)N(C)C ZINC000123513677 299048262 /nfs/dbraw/zinc/04/82/62/299048262.db2.gz AQPVAKKMBJZILY-RWMBFGLXSA-N 2 2 298.431 -0.006 20 0 CBADLP C[C@H](NC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1)C(=O)N(C)C ZINC000123513472 299048407 /nfs/dbraw/zinc/04/84/07/299048407.db2.gz AQPVAKKMBJZILY-FRRDWIJNSA-N 2 2 298.431 -0.006 20 0 CBADLP C[C@H](NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1)C(=O)N(C)C ZINC000123513472 299048409 /nfs/dbraw/zinc/04/84/09/299048409.db2.gz AQPVAKKMBJZILY-FRRDWIJNSA-N 2 2 298.431 -0.006 20 0 CBADLP C[C@H](NC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1)C(=O)N(C)C ZINC000123513472 299048410 /nfs/dbraw/zinc/04/84/10/299048410.db2.gz AQPVAKKMBJZILY-FRRDWIJNSA-N 2 2 298.431 -0.006 20 0 CBADLP C[C@H](NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)C(=O)N(C)C ZINC000123513472 299048414 /nfs/dbraw/zinc/04/84/14/299048414.db2.gz AQPVAKKMBJZILY-FRRDWIJNSA-N 2 2 298.431 -0.006 20 0 CBADLP [NH3+]CCCN1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000019688207 544417589 /nfs/dbraw/zinc/41/75/89/544417589.db2.gz MKBYMGPLRHOPNN-UHFFFAOYSA-N 2 2 254.378 -0.425 20 0 CBADLP [NH3+]CCC[NH+]1CCN(CC(=O)N2CCCC2)CC1 ZINC000019688207 544417592 /nfs/dbraw/zinc/41/75/92/544417592.db2.gz MKBYMGPLRHOPNN-UHFFFAOYSA-N 2 2 254.378 -0.425 20 0 CBADLP CN1C(=O)CC[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)C1=O ZINC000090030438 544437826 /nfs/dbraw/zinc/43/78/26/544437826.db2.gz OQZDKHHKVSOPSZ-MNOVXSKESA-N 2 2 269.345 -0.820 20 0 CBADLP C[C@@H]1C[C@H]([NH2+]CC(=O)N2CCOCC2)CC[N@@H+]1C ZINC000128142618 544457179 /nfs/dbraw/zinc/45/71/79/544457179.db2.gz CRLNXTQVOTZOLP-VXGBXAGGSA-N 2 2 255.362 -0.083 20 0 CBADLP C[C@@H]1C[C@H]([NH2+]CC(=O)N2CCOCC2)CC[N@H+]1C ZINC000128142618 544457184 /nfs/dbraw/zinc/45/71/84/544457184.db2.gz CRLNXTQVOTZOLP-VXGBXAGGSA-N 2 2 255.362 -0.083 20 0 CBADLP CC(C)(CNC(=O)COCC[NH3+])[NH+]1CCOCC1 ZINC000093231859 544443842 /nfs/dbraw/zinc/44/38/42/544443842.db2.gz OHWUGIYKFFAIHM-UHFFFAOYSA-N 2 2 259.350 -0.811 20 0 CBADLP C[C@@H](NC(=O)NCCn1cc[nH+]c1)[C@H]1C[N@H+](C)CCO1 ZINC000119527405 544449990 /nfs/dbraw/zinc/44/99/90/544449990.db2.gz QCUWLYGVEIFNEA-VXGBXAGGSA-N 2 2 281.360 -0.099 20 0 CBADLP C[C@@H](NC(=O)NCCn1cc[nH+]c1)[C@H]1C[N@@H+](C)CCO1 ZINC000119527405 544449994 /nfs/dbraw/zinc/44/99/94/544449994.db2.gz QCUWLYGVEIFNEA-VXGBXAGGSA-N 2 2 281.360 -0.099 20 0 CBADLP CC[C@@H]([NH3+])C(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000152866613 544468828 /nfs/dbraw/zinc/46/88/28/544468828.db2.gz XCRQECRGWGOBHG-LLVKDONJSA-N 2 2 265.361 -0.198 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCCCC[C@@H]2CO)CC1 ZINC000157128302 544471312 /nfs/dbraw/zinc/47/13/12/544471312.db2.gz SXCBGAYJMRFKME-CYBMUJFWSA-N 2 2 269.389 -0.003 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CCCCC[C@@H]2CO)CC1 ZINC000157128302 544471319 /nfs/dbraw/zinc/47/13/19/544471319.db2.gz SXCBGAYJMRFKME-CYBMUJFWSA-N 2 2 269.389 -0.003 20 0 CBADLP CC(C)CC(=O)NCCC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000162276739 544478090 /nfs/dbraw/zinc/47/80/90/544478090.db2.gz LKTLAXNNEDBKPD-LBPRGKRZSA-N 2 2 284.404 -0.360 20 0 CBADLP CC(C)CC(=O)NCCC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000162276739 544478094 /nfs/dbraw/zinc/47/80/94/544478094.db2.gz LKTLAXNNEDBKPD-LBPRGKRZSA-N 2 2 284.404 -0.360 20 0 CBADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)CC(C)(C)[NH3+])CC1 ZINC000237394518 544508032 /nfs/dbraw/zinc/50/80/32/544508032.db2.gz AZTRLKAURBVMAB-LLVKDONJSA-N 2 2 296.415 -0.075 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000250422496 544513801 /nfs/dbraw/zinc/51/38/01/544513801.db2.gz ZOYDAKCJYGVFOE-KGLIPLIRSA-N 3 2 280.416 -0.023 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000250422496 544513807 /nfs/dbraw/zinc/51/38/07/544513807.db2.gz ZOYDAKCJYGVFOE-KGLIPLIRSA-N 3 2 280.416 -0.023 20 0 CBADLP CNC(=O)NC(=O)CC[N@@H+]1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000261550775 544515960 /nfs/dbraw/zinc/51/59/60/544515960.db2.gz QNRZRDQMRMRQBT-ZJUUUORDSA-N 2 2 256.350 -0.109 20 0 CBADLP CNC(=O)NC(=O)CC[N@H+]1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000261550775 544515965 /nfs/dbraw/zinc/51/59/65/544515965.db2.gz QNRZRDQMRMRQBT-ZJUUUORDSA-N 2 2 256.350 -0.109 20 0 CBADLP O=C(CCn1cc[nH+]c1)N(CCO)CC[NH+]1CCOCC1 ZINC000339806689 544549943 /nfs/dbraw/zinc/54/99/43/544549943.db2.gz ONVMFIWRGNWNIX-UHFFFAOYSA-N 2 2 296.371 -0.574 20 0 CBADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC(O)(CO)CC1 ZINC000313634718 544529820 /nfs/dbraw/zinc/52/98/20/544529820.db2.gz KALMIWQWRAFQHU-GFCCVEGCSA-N 2 2 260.378 -0.493 20 0 CBADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(O)(CO)CC1 ZINC000313634718 544529824 /nfs/dbraw/zinc/52/98/24/544529824.db2.gz KALMIWQWRAFQHU-GFCCVEGCSA-N 2 2 260.378 -0.493 20 0 CBADLP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCc1[nH+]ccn1C ZINC000343006634 544554991 /nfs/dbraw/zinc/55/49/91/544554991.db2.gz FPHZPWUYCVWSPF-NSHDSACASA-N 2 2 295.387 -0.117 20 0 CBADLP CN(C)C(=O)C[NH+]1CCN(C(=O)CC2CC[NH2+]CC2)CC1 ZINC000038075693 419420212 /nfs/dbraw/zinc/42/02/12/419420212.db2.gz XDQQXNKKPRYTSM-UHFFFAOYSA-N 2 2 296.415 -0.392 20 0 CBADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCNS(C)(=O)=O)C2 ZINC000660659727 419416703 /nfs/dbraw/zinc/41/67/03/419416703.db2.gz QEIGCUSUDWMUKR-LBPRGKRZSA-N 2 2 275.418 -0.047 20 0 CBADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCNS(C)(=O)=O)C2 ZINC000660659727 419416717 /nfs/dbraw/zinc/41/67/17/419416717.db2.gz QEIGCUSUDWMUKR-LBPRGKRZSA-N 2 2 275.418 -0.047 20 0 CBADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCNS(C)(=O)=O)C2 ZINC000660659727 419416724 /nfs/dbraw/zinc/41/67/24/419416724.db2.gz QEIGCUSUDWMUKR-LBPRGKRZSA-N 2 2 275.418 -0.047 20 0 CBADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCNS(C)(=O)=O)C2 ZINC000660659727 419416740 /nfs/dbraw/zinc/41/67/40/419416740.db2.gz QEIGCUSUDWMUKR-LBPRGKRZSA-N 2 2 275.418 -0.047 20 0 CBADLP Cc1nc(N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)nc(N)[nH+]1 ZINC000631215326 419476103 /nfs/dbraw/zinc/47/61/03/419476103.db2.gz QSQOWPRDRLWGEY-IUCAKERBSA-N 2 2 266.349 -0.346 20 0 CBADLP Cc1nc(N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)nc(N)[nH+]1 ZINC000631215326 419476115 /nfs/dbraw/zinc/47/61/15/419476115.db2.gz QSQOWPRDRLWGEY-IUCAKERBSA-N 2 2 266.349 -0.346 20 0 CBADLP Cc1nc(N2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)nc(N)[nH+]1 ZINC000631314823 419482947 /nfs/dbraw/zinc/48/29/47/419482947.db2.gz SSGMAKQBJADWFN-BDAKNGLRSA-N 2 2 266.349 -0.346 20 0 CBADLP Cc1nc(N2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)nc(N)[nH+]1 ZINC000631314823 419482954 /nfs/dbraw/zinc/48/29/54/419482954.db2.gz SSGMAKQBJADWFN-BDAKNGLRSA-N 2 2 266.349 -0.346 20 0 CBADLP C[N@@H+]1CCN(C(=O)c2ccc[nH]c2=O)[C@H](C[NH3+])C1 ZINC000122572862 419490211 /nfs/dbraw/zinc/49/02/11/419490211.db2.gz JTLOOXGSYCKMLD-SECBINFHSA-N 2 2 250.302 -0.498 20 0 CBADLP C[N@H+]1CCN(C(=O)c2ccc[nH]c2=O)[C@H](C[NH3+])C1 ZINC000122572862 419490224 /nfs/dbraw/zinc/49/02/24/419490224.db2.gz JTLOOXGSYCKMLD-SECBINFHSA-N 2 2 250.302 -0.498 20 0 CBADLP O=C(CN1CC[NH2+]CC1)NCCCCn1cc[nH+]c1 ZINC000045109191 419432894 /nfs/dbraw/zinc/43/28/94/419432894.db2.gz KIKVMOVQKAUZLP-UHFFFAOYSA-N 2 2 265.361 -0.315 20 0 CBADLP CC(C)[N@H+](C)C[C@H](O)C[NH2+]C1(C(=O)N(C)C)CC1 ZINC000660801913 419441127 /nfs/dbraw/zinc/44/11/27/419441127.db2.gz UXINNCQMBMFLRT-LLVKDONJSA-N 2 2 257.378 -0.102 20 0 CBADLP CC(C)[N@@H+](C)C[C@H](O)C[NH2+]C1(C(=O)N(C)C)CC1 ZINC000660801913 419441135 /nfs/dbraw/zinc/44/11/35/419441135.db2.gz UXINNCQMBMFLRT-LLVKDONJSA-N 2 2 257.378 -0.102 20 0 CBADLP C[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(N)[nH+]c1 ZINC000626899715 419441970 /nfs/dbraw/zinc/44/19/70/419441970.db2.gz GJWHPBUSCGNLQW-JTQLQIEISA-N 2 2 277.328 -0.187 20 0 CBADLP C[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(N)[nH+]c1 ZINC000626899715 419441983 /nfs/dbraw/zinc/44/19/83/419441983.db2.gz GJWHPBUSCGNLQW-JTQLQIEISA-N 2 2 277.328 -0.187 20 0 CBADLP CC[C@@H](O)C[NH2+]C1CC[NH+](CC(=O)N(C)C)CC1 ZINC000124529566 419492762 /nfs/dbraw/zinc/49/27/62/419492762.db2.gz UUIQLRFLDWCCKT-GFCCVEGCSA-N 2 2 257.378 -0.101 20 0 CBADLP CC[C@H](C)NC(=O)[C@H](C)[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000051763129 419454130 /nfs/dbraw/zinc/45/41/30/419454130.db2.gz ATLHOFREGBLHPU-STQMWFEESA-N 2 2 298.431 -0.005 20 0 CBADLP C[C@H](NC(=O)N(C)CC1C[NH+](C)C1)[C@H]1C[N@H+](C)CCO1 ZINC000660933708 419461064 /nfs/dbraw/zinc/46/10/64/419461064.db2.gz FJRMWBPNFCIBLL-WCQYABFASA-N 2 2 284.404 -0.092 20 0 CBADLP C[C@H](NC(=O)N(C)CC1C[NH+](C)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000660933708 419461076 /nfs/dbraw/zinc/46/10/76/419461076.db2.gz FJRMWBPNFCIBLL-WCQYABFASA-N 2 2 284.404 -0.092 20 0 CBADLP Cc1nc(N2CC[N@H+](CCO)[C@H](C)C2)nc(N)[nH+]1 ZINC000631221571 419470666 /nfs/dbraw/zinc/47/06/66/419470666.db2.gz GWGAUUQSGGQRPY-MRVPVSSYSA-N 2 2 252.322 -0.735 20 0 CBADLP Cc1nc(N2CC[N@@H+](CCO)[C@H](C)C2)nc(N)[nH+]1 ZINC000631221571 419470675 /nfs/dbraw/zinc/47/06/75/419470675.db2.gz GWGAUUQSGGQRPY-MRVPVSSYSA-N 2 2 252.322 -0.735 20 0 CBADLP Cc1nc(N[C@@H](C)CN2CC[NH+](C)CC2)nc(N)[nH+]1 ZINC000631111031 419471572 /nfs/dbraw/zinc/47/15/72/419471572.db2.gz PWQNOVUQJVSFDL-VIFPVBQESA-N 2 2 265.365 -0.768 20 0 CBADLP COCC[NH+]1CCN(c2nc(C)[nH+]c(N)n2)CC1 ZINC000631046340 419471813 /nfs/dbraw/zinc/47/18/13/419471813.db2.gz XVGGKKQWPQKFSW-UHFFFAOYSA-N 2 2 252.322 -0.469 20 0 CBADLP Cc1nc(NCC2([NH+](C)C)CCOCC2)nc(N)[nH+]1 ZINC000631119138 419471869 /nfs/dbraw/zinc/47/18/69/419471869.db2.gz VHJHZSLDHYXWGZ-UHFFFAOYSA-N 2 2 266.349 -0.293 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+][C@H](CO)C2CCC2)CC1 ZINC000661152995 419472590 /nfs/dbraw/zinc/47/25/90/419472590.db2.gz DSNDQRVMPDDCJL-GFCCVEGCSA-N 2 2 255.362 -0.489 20 0 CBADLP Cc1nc(N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)nc(N)[nH+]1 ZINC000631119182 419474290 /nfs/dbraw/zinc/47/42/90/419474290.db2.gz LNRUYSSCBJTRMG-GFCCVEGCSA-N 2 2 291.403 -0.022 20 0 CBADLP Cc1nc(N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)nc(N)[nH+]1 ZINC000631119182 419474292 /nfs/dbraw/zinc/47/42/92/419474292.db2.gz LNRUYSSCBJTRMG-GFCCVEGCSA-N 2 2 291.403 -0.022 20 0 CBADLP Cc1nc(N2CC[NH+](C[C@@H]3CCOC3)CC2)nc(N)[nH+]1 ZINC000631152912 419475536 /nfs/dbraw/zinc/47/55/36/419475536.db2.gz UWNMXFJLQXPFLR-NSHDSACASA-N 2 2 278.360 -0.079 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661723929 419522447 /nfs/dbraw/zinc/52/24/47/419522447.db2.gz ZBLPNDPWSMVEBV-YNEHKIRRSA-N 2 2 258.362 -0.618 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661723929 419522449 /nfs/dbraw/zinc/52/24/49/419522449.db2.gz ZBLPNDPWSMVEBV-YNEHKIRRSA-N 2 2 258.362 -0.618 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661723929 419522454 /nfs/dbraw/zinc/52/24/54/419522454.db2.gz ZBLPNDPWSMVEBV-YNEHKIRRSA-N 2 2 258.362 -0.618 20 0 CBADLP COc1cc[nH+]c(CN(C)C[C@H](O)C[NH3+])c1OC ZINC000381271284 544574420 /nfs/dbraw/zinc/57/44/20/544574420.db2.gz RRAUWWIHDLTSGK-SECBINFHSA-N 2 2 255.318 -0.150 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H]2COC[C@@H]2C1 ZINC000662037012 419541305 /nfs/dbraw/zinc/54/13/05/419541305.db2.gz TWKBHAFOYWCMOW-IHRRRGAJSA-N 2 2 272.389 -0.106 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H]2COC[C@@H]2C1 ZINC000662037012 419541310 /nfs/dbraw/zinc/54/13/10/419541310.db2.gz TWKBHAFOYWCMOW-IHRRRGAJSA-N 2 2 272.389 -0.106 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000662037012 419541315 /nfs/dbraw/zinc/54/13/15/419541315.db2.gz TWKBHAFOYWCMOW-IHRRRGAJSA-N 2 2 272.389 -0.106 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000662037012 419541323 /nfs/dbraw/zinc/54/13/23/419541323.db2.gz TWKBHAFOYWCMOW-IHRRRGAJSA-N 2 2 272.389 -0.106 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H]3COC[C@H]3C2)CC1 ZINC000662034084 419542429 /nfs/dbraw/zinc/54/24/29/419542429.db2.gz AWAWWUBMNQVUSK-QWHCGFSZSA-N 2 2 267.373 -0.271 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H]3COC[C@H]3C2)CC1 ZINC000662034084 419542436 /nfs/dbraw/zinc/54/24/36/419542436.db2.gz AWAWWUBMNQVUSK-QWHCGFSZSA-N 2 2 267.373 -0.271 20 0 CBADLP C[C@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)C[C@@]1(C)CO ZINC000662135267 419548235 /nfs/dbraw/zinc/54/82/35/419548235.db2.gz KVOAGGMCYBSSFD-JSGCOSHPSA-N 2 2 269.389 -0.289 20 0 CBADLP C[C@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)C[C@@]1(C)CO ZINC000662135267 419548242 /nfs/dbraw/zinc/54/82/42/419548242.db2.gz KVOAGGMCYBSSFD-JSGCOSHPSA-N 2 2 269.389 -0.289 20 0 CBADLP CC[C@@H](C(N)=O)[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662154280 419549729 /nfs/dbraw/zinc/54/97/29/419549729.db2.gz GPAAKERZMQLRQH-NEPJUHHUSA-N 2 2 255.362 -0.219 20 0 CBADLP CC[C@@H](C(N)=O)[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662154280 419549737 /nfs/dbraw/zinc/54/97/37/419549737.db2.gz GPAAKERZMQLRQH-NEPJUHHUSA-N 2 2 255.362 -0.219 20 0 CBADLP CCNC(=O)C[N@H+](CC)[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000193586720 419549935 /nfs/dbraw/zinc/54/99/35/419549935.db2.gz GULSGCKUPAFQTF-ZDUSSCGKSA-N 2 2 298.431 -0.003 20 0 CBADLP CCNC(=O)C[N@@H+](CC)[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000193586720 419549944 /nfs/dbraw/zinc/54/99/44/419549944.db2.gz GULSGCKUPAFQTF-ZDUSSCGKSA-N 2 2 298.431 -0.003 20 0 CBADLP OCC[N@H+](CCOCC(F)(F)F)C[C@@H]1C[NH2+]CCO1 ZINC000662258996 419568394 /nfs/dbraw/zinc/56/83/94/419568394.db2.gz ZXFBGDFZZMAOGI-JTQLQIEISA-N 2 2 286.294 -0.152 20 0 CBADLP OCC[N@@H+](CCOCC(F)(F)F)C[C@@H]1C[NH2+]CCO1 ZINC000662258996 419568400 /nfs/dbraw/zinc/56/84/00/419568400.db2.gz ZXFBGDFZZMAOGI-JTQLQIEISA-N 2 2 286.294 -0.152 20 0 CBADLP CCOC[C@@H](O)C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662157734 419551487 /nfs/dbraw/zinc/55/14/87/419551487.db2.gz PWLJLTVAALGQGM-KGLIPLIRSA-N 2 2 272.389 -0.085 20 0 CBADLP CCOC[C@@H](O)C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662157734 419551495 /nfs/dbraw/zinc/55/14/95/419551495.db2.gz PWLJLTVAALGQGM-KGLIPLIRSA-N 2 2 272.389 -0.085 20 0 CBADLP OCCOCC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662146841 419551520 /nfs/dbraw/zinc/55/15/20/419551520.db2.gz BQVJPGWHWJGSAT-CYBMUJFWSA-N 2 2 258.362 -0.474 20 0 CBADLP OCCOCC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662146841 419551527 /nfs/dbraw/zinc/55/15/27/419551527.db2.gz BQVJPGWHWJGSAT-CYBMUJFWSA-N 2 2 258.362 -0.474 20 0 CBADLP CC(=O)[C@](C)(O)C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662151789 419551691 /nfs/dbraw/zinc/55/16/91/419551691.db2.gz LIGOGQCQINCBPN-ZIAGYGMSSA-N 2 2 270.373 -0.143 20 0 CBADLP CC(=O)[C@](C)(O)C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662151789 419551698 /nfs/dbraw/zinc/55/16/98/419551698.db2.gz LIGOGQCQINCBPN-ZIAGYGMSSA-N 2 2 270.373 -0.143 20 0 CBADLP O=C1NCCC[C@H]1[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662152515 419552243 /nfs/dbraw/zinc/55/22/43/419552243.db2.gz GSYDWXMESLCRBU-QWHCGFSZSA-N 2 2 267.373 -0.204 20 0 CBADLP O=C1NCCC[C@H]1[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662152515 419552248 /nfs/dbraw/zinc/55/22/48/419552248.db2.gz GSYDWXMESLCRBU-QWHCGFSZSA-N 2 2 267.373 -0.204 20 0 CBADLP Cc1nc(NC[C@@H]2CSCC[NH2+]2)nc(N(C)C)[nH+]1 ZINC000641686887 419556844 /nfs/dbraw/zinc/55/68/44/419556844.db2.gz CRWDKBSELBJHLO-SECBINFHSA-N 2 2 268.390 0.363 20 0 CBADLP O=C(NC1CC1)[C@H]1CCC[N@@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000662251311 419560578 /nfs/dbraw/zinc/56/05/78/419560578.db2.gz CNOQLPQUQZFNHV-NWDGAFQWSA-N 2 2 253.346 -0.282 20 0 CBADLP O=C(NC1CC1)[C@H]1CCC[N@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000662251311 419560582 /nfs/dbraw/zinc/56/05/82/419560582.db2.gz CNOQLPQUQZFNHV-NWDGAFQWSA-N 2 2 253.346 -0.282 20 0 CBADLP COCCOC[C@@H]1CC[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662257248 419561814 /nfs/dbraw/zinc/56/18/14/419561814.db2.gz NVQXLVAYLSUILU-CHWSQXEVSA-N 2 2 258.362 -0.040 20 0 CBADLP COCCOC[C@@H]1CC[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662257248 419561819 /nfs/dbraw/zinc/56/18/19/419561819.db2.gz NVQXLVAYLSUILU-CHWSQXEVSA-N 2 2 258.362 -0.040 20 0 CBADLP COCCCNC(=O)C1CC[NH+](C[C@H]2C[NH2+]CCO2)CC1 ZINC000662251886 419562174 /nfs/dbraw/zinc/56/21/74/419562174.db2.gz GJTIWKDVWIJKSI-CQSZACIVSA-N 2 2 299.415 -0.161 20 0 CBADLP O=C([C@H]1CCC[N@H+](C[C@H]2C[NH2+]CCO2)C1)N1CCOCC1 ZINC000662248991 419562468 /nfs/dbraw/zinc/56/24/68/419562468.db2.gz MWUDPXIQZMXWFL-UONOGXRCSA-N 2 2 297.399 -0.454 20 0 CBADLP O=C([C@H]1CCC[N@@H+](C[C@H]2C[NH2+]CCO2)C1)N1CCOCC1 ZINC000662248991 419562471 /nfs/dbraw/zinc/56/24/71/419562471.db2.gz MWUDPXIQZMXWFL-UONOGXRCSA-N 2 2 297.399 -0.454 20 0 CBADLP C[C@H]([NH3+])[C@@H]1C[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000662248233 419562481 /nfs/dbraw/zinc/56/24/81/419562481.db2.gz WPESHRYVEGPZBO-TUAOUCFPSA-N 3 2 255.362 -0.445 20 0 CBADLP C[C@H]([NH3+])[C@@H]1C[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000662248233 419562486 /nfs/dbraw/zinc/56/24/86/419562486.db2.gz WPESHRYVEGPZBO-TUAOUCFPSA-N 3 2 255.362 -0.445 20 0 CBADLP COCC(=O)N1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662248577 419563739 /nfs/dbraw/zinc/56/37/39/419563739.db2.gz GMSLNZAUMICUAV-LBPRGKRZSA-N 2 2 283.372 -0.702 20 0 CBADLP COCCOC[C@H]1CC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662257253 419565351 /nfs/dbraw/zinc/56/53/51/419565351.db2.gz NVQXLVAYLSUILU-STQMWFEESA-N 2 2 258.362 -0.040 20 0 CBADLP COCCOC[C@H]1CC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662257253 419565358 /nfs/dbraw/zinc/56/53/58/419565358.db2.gz NVQXLVAYLSUILU-STQMWFEESA-N 2 2 258.362 -0.040 20 0 CBADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1C[C@H]1C[NH2+]CCO1 ZINC000662272208 419566080 /nfs/dbraw/zinc/56/60/80/419566080.db2.gz MDEAPXBSDGFWBV-CHWSQXEVSA-N 3 2 284.404 -0.706 20 0 CBADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1C[C@H]1C[NH2+]CCO1 ZINC000662272208 419566086 /nfs/dbraw/zinc/56/60/86/419566086.db2.gz MDEAPXBSDGFWBV-CHWSQXEVSA-N 3 2 284.404 -0.706 20 0 CBADLP CN1CCC[C@@H]([N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1=O ZINC000662266796 419566826 /nfs/dbraw/zinc/56/68/26/419566826.db2.gz PDJSIAUSNDAHGO-QWHCGFSZSA-N 2 2 294.399 -0.497 20 0 CBADLP CN1CCC[C@@H]([N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1=O ZINC000662266796 419566830 /nfs/dbraw/zinc/56/68/30/419566830.db2.gz PDJSIAUSNDAHGO-QWHCGFSZSA-N 2 2 294.399 -0.497 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)C[C@@H]1COCCO1 ZINC000661615258 419507305 /nfs/dbraw/zinc/50/73/05/419507305.db2.gz XYMMIQHRJVVPBQ-QWHCGFSZSA-N 2 2 276.377 -0.727 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)C[C@@H]1COCCO1 ZINC000661615258 419507312 /nfs/dbraw/zinc/50/73/12/419507312.db2.gz XYMMIQHRJVVPBQ-QWHCGFSZSA-N 2 2 276.377 -0.727 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)C[C@@H]1COCCO1 ZINC000661615258 419507315 /nfs/dbraw/zinc/50/73/15/419507315.db2.gz XYMMIQHRJVVPBQ-QWHCGFSZSA-N 2 2 276.377 -0.727 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)C[C@@H]1COCCO1 ZINC000661615258 419507321 /nfs/dbraw/zinc/50/73/21/419507321.db2.gz XYMMIQHRJVVPBQ-QWHCGFSZSA-N 2 2 276.377 -0.727 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)C[C@@H]2COCCO2)CC1 ZINC000661607802 419507616 /nfs/dbraw/zinc/50/76/16/419507616.db2.gz SFFUPPYFVBBRRM-ZIAGYGMSSA-N 2 2 299.415 -0.114 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)C[C@@H]2COCCO2)CC1 ZINC000661607802 419507625 /nfs/dbraw/zinc/50/76/25/419507625.db2.gz SFFUPPYFVBBRRM-ZIAGYGMSSA-N 2 2 299.415 -0.114 20 0 CBADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H]1COCCO1 ZINC000661608311 419508249 /nfs/dbraw/zinc/50/82/49/419508249.db2.gz UZIOTOSIQPFMSF-LBPRGKRZSA-N 2 2 271.361 -0.892 20 0 CBADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H]1COCCO1 ZINC000661608311 419508260 /nfs/dbraw/zinc/50/82/60/419508260.db2.gz UZIOTOSIQPFMSF-LBPRGKRZSA-N 2 2 271.361 -0.892 20 0 CBADLP C[C@@H]1CN(C[C@@H]2C[NH2+]CCO2)C[C@@H]1[NH+]1CCOCC1 ZINC000662266256 419566968 /nfs/dbraw/zinc/56/69/68/419566968.db2.gz ZSDAWMFBCYNCKL-RDBSUJKOSA-N 2 2 269.389 -0.373 20 0 CBADLP C[C@@H]1C[N@H+](C[C@@H]2C[NH2+]CCO2)C[C@@H]1N1CCOCC1 ZINC000662266256 419566976 /nfs/dbraw/zinc/56/69/76/419566976.db2.gz ZSDAWMFBCYNCKL-RDBSUJKOSA-N 2 2 269.389 -0.373 20 0 CBADLP C[C@@H]1C[N@@H+](C[C@@H]2C[NH2+]CCO2)C[C@@H]1N1CCOCC1 ZINC000662266256 419566985 /nfs/dbraw/zinc/56/69/85/419566985.db2.gz ZSDAWMFBCYNCKL-RDBSUJKOSA-N 2 2 269.389 -0.373 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)CC1 ZINC000661610100 419508349 /nfs/dbraw/zinc/50/83/49/419508349.db2.gz QQXGIFKPXFCBNR-CHWSQXEVSA-N 2 2 294.399 -0.639 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)CC1 ZINC000661610100 419508352 /nfs/dbraw/zinc/50/83/52/419508352.db2.gz QQXGIFKPXFCBNR-CHWSQXEVSA-N 2 2 294.399 -0.639 20 0 CBADLP CC[C@]1([NH2+]CC(=O)N2CC[NH+](C)CC2)CCOC1 ZINC000378728700 544573138 /nfs/dbraw/zinc/57/31/38/544573138.db2.gz DPMABMLXELXOQI-ZDUSSCGKSA-N 2 2 255.362 -0.081 20 0 CBADLP C[NH+](C[C@@H](O)C[N@@H+](C)C[C@@H]1COCCO1)C1CC1 ZINC000661612953 419510273 /nfs/dbraw/zinc/51/02/73/419510273.db2.gz DYWJOSZUCNFWFV-QWHCGFSZSA-N 2 2 258.362 -0.211 20 0 CBADLP C[NH+](C[C@@H](O)C[N@H+](C)C[C@@H]1COCCO1)C1CC1 ZINC000661612953 419510281 /nfs/dbraw/zinc/51/02/81/419510281.db2.gz DYWJOSZUCNFWFV-QWHCGFSZSA-N 2 2 258.362 -0.211 20 0 CBADLP C[NH+](C[C@H](O)C[N@H+](C)C1CC1)C[C@@H]1COCCO1 ZINC000661612953 419510288 /nfs/dbraw/zinc/51/02/88/419510288.db2.gz DYWJOSZUCNFWFV-QWHCGFSZSA-N 2 2 258.362 -0.211 20 0 CBADLP C[NH+](C[C@H](O)C[N@@H+](C)C1CC1)C[C@@H]1COCCO1 ZINC000661612953 419510292 /nfs/dbraw/zinc/51/02/92/419510292.db2.gz DYWJOSZUCNFWFV-QWHCGFSZSA-N 2 2 258.362 -0.211 20 0 CBADLP CC[C@@H](C)[C@H]([NH3+])C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000182821778 419511951 /nfs/dbraw/zinc/51/19/51/419511951.db2.gz QVQFQNPZWCIWIK-AGIUHOORSA-N 2 2 287.404 -0.489 20 0 CBADLP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[NH+](C)CC2)C1 ZINC000661662888 419514863 /nfs/dbraw/zinc/51/48/63/419514863.db2.gz CTLHJURSUPSFAT-ZDUSSCGKSA-N 2 2 296.415 -0.251 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@H]2COC[C@@]2(C)C1 ZINC000661700342 419516687 /nfs/dbraw/zinc/51/66/87/419516687.db2.gz GCHNIRDVPIKMEB-MELADBBJSA-N 2 2 272.389 -0.106 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H]2COC[C@@]2(C)C1 ZINC000661700342 419516698 /nfs/dbraw/zinc/51/66/98/419516698.db2.gz GCHNIRDVPIKMEB-MELADBBJSA-N 2 2 272.389 -0.106 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H]2COC[C@@]2(C)C1 ZINC000661700342 419516704 /nfs/dbraw/zinc/51/67/04/419516704.db2.gz GCHNIRDVPIKMEB-MELADBBJSA-N 2 2 272.389 -0.106 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@H]2COC[C@@]2(C)C1 ZINC000661700342 419516713 /nfs/dbraw/zinc/51/67/13/419516713.db2.gz GCHNIRDVPIKMEB-MELADBBJSA-N 2 2 272.389 -0.106 20 0 CBADLP C[NH+](C)C[C@@H](CO)NC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000647710106 419638657 /nfs/dbraw/zinc/63/86/57/419638657.db2.gz MEWVLYKOPJXLLI-NSHDSACASA-N 2 2 273.377 -0.864 20 0 CBADLP CCCN(C(=O)CN1CC[NH2+]CC1=O)C1CC[NH2+]CC1 ZINC000236790051 419569419 /nfs/dbraw/zinc/56/94/19/419569419.db2.gz QRISYYXHZJFPMQ-UHFFFAOYSA-N 2 2 282.388 -0.591 20 0 CBADLP O=C([C@@H]1CCCC[N@@H+]1C[C@H]1C[NH2+]CCO1)N1CCOCC1 ZINC000662258608 419569782 /nfs/dbraw/zinc/56/97/82/419569782.db2.gz VPWMLTCAUYTRGY-KGLIPLIRSA-N 2 2 297.399 -0.312 20 0 CBADLP O=C([C@@H]1CCCC[N@H+]1C[C@H]1C[NH2+]CCO1)N1CCOCC1 ZINC000662258608 419569788 /nfs/dbraw/zinc/56/97/88/419569788.db2.gz VPWMLTCAUYTRGY-KGLIPLIRSA-N 2 2 297.399 -0.312 20 0 CBADLP CC(C)[NH+](CCNC(=O)CN1CC[NH2+]CC1=O)C(C)C ZINC000236782474 419571557 /nfs/dbraw/zinc/57/15/57/419571557.db2.gz COEKNYPPSOQZCK-UHFFFAOYSA-N 2 2 284.404 -0.347 20 0 CBADLP c1cn([C@@H]2CCC[N@@H+](C[C@@H]3C[NH2+]CCO3)C2)nn1 ZINC000662282036 419571455 /nfs/dbraw/zinc/57/14/55/419571455.db2.gz BJJKBLKYBJVURQ-NEPJUHHUSA-N 2 2 251.334 -0.097 20 0 CBADLP c1cn([C@@H]2CCC[N@H+](C[C@@H]3C[NH2+]CCO3)C2)nn1 ZINC000662282036 419571459 /nfs/dbraw/zinc/57/14/59/419571459.db2.gz BJJKBLKYBJVURQ-NEPJUHHUSA-N 2 2 251.334 -0.097 20 0 CBADLP CCCC[C@@H](C[NH3+])NC(=O)CN1CC[NH2+]CC1=O ZINC000236815217 419571736 /nfs/dbraw/zinc/57/17/36/419571736.db2.gz KDOUJIJEJCLQTG-JTQLQIEISA-N 2 2 256.350 -0.948 20 0 CBADLP Nc1nc(NCC[NH+]2CCOCC2)c2c([nH+]1)CCCC2 ZINC000645094113 419571834 /nfs/dbraw/zinc/57/18/34/419571834.db2.gz FTVBABHSCSXPPF-UHFFFAOYSA-N 2 2 277.372 0.104 20 0 CBADLP CC(C)C[C@](C)(C[NH3+])NC(=O)CN1CC[NH2+]CC1=O ZINC000236681717 419573066 /nfs/dbraw/zinc/57/30/66/419573066.db2.gz VNCTZKNLGWEKII-CYBMUJFWSA-N 2 2 270.377 -0.702 20 0 CBADLP CC(C)[NH2+]CCC(=O)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000394389998 544580548 /nfs/dbraw/zinc/58/05/48/544580548.db2.gz VDRROUGGBAFQEL-ZDUSSCGKSA-N 2 2 268.405 -0.119 20 0 CBADLP CC(C)[NH2+]CCC(=O)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000394389998 544580555 /nfs/dbraw/zinc/58/05/55/544580555.db2.gz VDRROUGGBAFQEL-ZDUSSCGKSA-N 2 2 268.405 -0.119 20 0 CBADLP CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662285283 419573771 /nfs/dbraw/zinc/57/37/71/419573771.db2.gz ITBJDNQMNWFFPH-KOLCDFICSA-N 2 2 295.305 -0.025 20 0 CBADLP COC[C@H](C[N@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)OC ZINC000662282678 419573951 /nfs/dbraw/zinc/57/39/51/419573951.db2.gz JBJMJPBMXKIDMY-RWMBFGLXSA-N 2 2 268.361 -0.192 20 0 CBADLP COC[C@H](C[N@@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)OC ZINC000662282678 419573959 /nfs/dbraw/zinc/57/39/59/419573959.db2.gz JBJMJPBMXKIDMY-RWMBFGLXSA-N 2 2 268.361 -0.192 20 0 CBADLP CCC[N@H+](C)C[C@H]1CCN(C(=O)CN2CC[NH2+]CC2=O)C1 ZINC000236764937 419574840 /nfs/dbraw/zinc/57/48/40/419574840.db2.gz ODASKPFKYFQDCS-CYBMUJFWSA-N 2 2 296.415 -0.392 20 0 CBADLP CCC[N@@H+](C)C[C@H]1CCN(C(=O)CN2CC[NH2+]CC2=O)C1 ZINC000236764937 419574848 /nfs/dbraw/zinc/57/48/48/419574848.db2.gz ODASKPFKYFQDCS-CYBMUJFWSA-N 2 2 296.415 -0.392 20 0 CBADLP C[N@H+](CCNC(=O)CN1CC[NH2+]CC1=O)C1CCCC1 ZINC000237142398 419575443 /nfs/dbraw/zinc/57/54/43/419575443.db2.gz IXKMCPWYIDVGKN-UHFFFAOYSA-N 2 2 282.388 -0.591 20 0 CBADLP C[N@@H+](CCNC(=O)CN1CC[NH2+]CC1=O)C1CCCC1 ZINC000237142398 419575451 /nfs/dbraw/zinc/57/54/51/419575451.db2.gz IXKMCPWYIDVGKN-UHFFFAOYSA-N 2 2 282.388 -0.591 20 0 CBADLP C[NH2+]Cc1cccc(NC(=O)CN2CC[NH2+]CC2=O)c1 ZINC000237213077 419576747 /nfs/dbraw/zinc/57/67/47/419576747.db2.gz AJPVUTKGZFHAEW-UHFFFAOYSA-N 2 2 276.340 -0.224 20 0 CBADLP [NH3+]CC[N@@H+](Cc1ccc(-n2cccn2)cc1)C[C@H](O)CO ZINC000662287920 419577571 /nfs/dbraw/zinc/57/75/71/419577571.db2.gz KQHUXOBSCJHAHP-HNNXBMFYSA-N 2 2 290.367 -0.014 20 0 CBADLP [NH3+]CC[N@H+](Cc1ccc(-n2cccn2)cc1)C[C@H](O)CO ZINC000662287920 419577578 /nfs/dbraw/zinc/57/75/78/419577578.db2.gz KQHUXOBSCJHAHP-HNNXBMFYSA-N 2 2 290.367 -0.014 20 0 CBADLP [NH3+]CC[N@H+](CCC(=O)Nc1ccccc1F)C[C@@H](O)CO ZINC000662288504 419577843 /nfs/dbraw/zinc/57/78/43/419577843.db2.gz INLVLUIBCJUIFZ-LLVKDONJSA-N 2 2 299.346 -0.232 20 0 CBADLP [NH3+]CC[N@@H+](CCC(=O)Nc1ccccc1F)C[C@@H](O)CO ZINC000662288504 419577848 /nfs/dbraw/zinc/57/78/48/419577848.db2.gz INLVLUIBCJUIFZ-LLVKDONJSA-N 2 2 299.346 -0.232 20 0 CBADLP CC[C@H]1CCCC[N@@H+]1CCNC(=O)CN1CC[NH2+]CC1=O ZINC000237031857 419578295 /nfs/dbraw/zinc/57/82/95/419578295.db2.gz SHHYXAFYLFZSKO-ZDUSSCGKSA-N 2 2 296.415 -0.201 20 0 CBADLP CC[C@H]1CCCC[N@H+]1CCNC(=O)CN1CC[NH2+]CC1=O ZINC000237031857 419578299 /nfs/dbraw/zinc/57/82/99/419578299.db2.gz SHHYXAFYLFZSKO-ZDUSSCGKSA-N 2 2 296.415 -0.201 20 0 CBADLP COc1cc[nH+]c(CN(CC[NH3+])C[C@@H](O)CO)c1OC ZINC000662287990 419578380 /nfs/dbraw/zinc/57/83/80/419578380.db2.gz LLYFJTIZOIVGIO-SNVBAGLBSA-N 2 2 285.344 -0.787 20 0 CBADLP [NH3+]CCN(Cc1[nH+]ccn1CC(F)(F)F)C[C@H](O)CO ZINC000662287444 419578571 /nfs/dbraw/zinc/57/85/71/419578571.db2.gz ADDHFLBVKCIOBK-VIFPVBQESA-N 2 2 296.293 -0.441 20 0 CBADLP C[N@H+](CCN1C(=O)NC(C)(C)C1=O)CC(C)(C)[NH3+] ZINC000662292200 419580183 /nfs/dbraw/zinc/58/01/83/419580183.db2.gz DHMYCVLJRCAEGN-UHFFFAOYSA-N 2 2 256.350 -0.014 20 0 CBADLP C[N@@H+](CCN1C(=O)NC(C)(C)C1=O)CC(C)(C)[NH3+] ZINC000662292200 419580187 /nfs/dbraw/zinc/58/01/87/419580187.db2.gz DHMYCVLJRCAEGN-UHFFFAOYSA-N 2 2 256.350 -0.014 20 0 CBADLP CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+](C)CC(C)(C)[NH3+])CC1 ZINC000662296944 419580203 /nfs/dbraw/zinc/58/02/03/419580203.db2.gz GKPFNUUWWXKVES-LLVKDONJSA-N 2 2 284.404 -0.265 20 0 CBADLP CC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+](C)CC(C)(C)[NH3+])CC1 ZINC000662296944 419580212 /nfs/dbraw/zinc/58/02/12/419580212.db2.gz GKPFNUUWWXKVES-LLVKDONJSA-N 2 2 284.404 -0.265 20 0 CBADLP C[C@@H](CC[NH+]1CCOCC1)NC(=O)[C@H]1COCC[NH2+]1 ZINC000237554846 419580464 /nfs/dbraw/zinc/58/04/64/419580464.db2.gz ZZDDACXHKXKABU-NWDGAFQWSA-N 2 2 271.361 -0.798 20 0 CBADLP c1cn(C[C@H]2CC[N@H+](C[C@H]3C[NH2+]CCO3)C2)nn1 ZINC000662296852 419580472 /nfs/dbraw/zinc/58/04/72/419580472.db2.gz VATGZYLCKYERJO-NWDGAFQWSA-N 2 2 251.334 -0.412 20 0 CBADLP c1cn(C[C@H]2CC[N@@H+](C[C@H]3C[NH2+]CCO3)C2)nn1 ZINC000662296852 419580479 /nfs/dbraw/zinc/58/04/79/419580479.db2.gz VATGZYLCKYERJO-NWDGAFQWSA-N 2 2 251.334 -0.412 20 0 CBADLP c1cn(C[C@@H]2CC[N@H+](C[C@@H]3C[NH2+]CCO3)C2)nn1 ZINC000662296850 419580898 /nfs/dbraw/zinc/58/08/98/419580898.db2.gz VATGZYLCKYERJO-NEPJUHHUSA-N 2 2 251.334 -0.412 20 0 CBADLP c1cn(C[C@@H]2CC[N@@H+](C[C@@H]3C[NH2+]CCO3)C2)nn1 ZINC000662296850 419580903 /nfs/dbraw/zinc/58/09/03/419580903.db2.gz VATGZYLCKYERJO-NEPJUHHUSA-N 2 2 251.334 -0.412 20 0 CBADLP C[C@@H](CNC(=O)CN1CC[NH2+]CC1=O)Cn1cc[nH+]c1 ZINC000237544184 419582391 /nfs/dbraw/zinc/58/23/91/419582391.db2.gz KRWNDWHTEPPMLK-NSHDSACASA-N 2 2 279.344 -0.933 20 0 CBADLP Cc1[nH+]ccn1CCCCNC(=O)CN1CC[NH2+]CC1=O ZINC000237623731 419584046 /nfs/dbraw/zinc/58/40/46/419584046.db2.gz KBYFWCPHESBWPL-UHFFFAOYSA-N 2 2 293.371 -0.480 20 0 CBADLP CN(C)C(=O)N(C)[C@@H]1CC[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662314716 419584451 /nfs/dbraw/zinc/58/44/51/419584451.db2.gz BDVAKCXBVIEMIG-VXGBXAGGSA-N 2 2 270.377 -0.338 20 0 CBADLP CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662314716 419584458 /nfs/dbraw/zinc/58/44/58/419584458.db2.gz BDVAKCXBVIEMIG-VXGBXAGGSA-N 2 2 270.377 -0.338 20 0 CBADLP C[C@@H]1CCC[N@H+](CCNC(=O)CN2CC[NH2+]CC2=O)C1 ZINC000237539614 419584845 /nfs/dbraw/zinc/58/48/45/419584845.db2.gz DZDBOPFIBXMRGW-GFCCVEGCSA-N 2 2 282.388 -0.734 20 0 CBADLP C[C@@H]1CCC[N@@H+](CCNC(=O)CN2CC[NH2+]CC2=O)C1 ZINC000237539614 419584852 /nfs/dbraw/zinc/58/48/52/419584852.db2.gz DZDBOPFIBXMRGW-GFCCVEGCSA-N 2 2 282.388 -0.734 20 0 CBADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)C[NH2+]C(C)C)CC1 ZINC000662356812 419590268 /nfs/dbraw/zinc/59/02/68/419590268.db2.gz VPJPUJNKJDKECU-UHFFFAOYSA-N 2 2 298.431 -0.003 20 0 CBADLP CN(C)c1[nH+]cccc1CNC(=O)c1cn(CC[NH3+])nn1 ZINC000662385515 419592185 /nfs/dbraw/zinc/59/21/85/419592185.db2.gz VATXCKVBDDRBLN-UHFFFAOYSA-N 2 2 289.343 -0.372 20 0 CBADLP Nc1ccc(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cn1 ZINC000647519140 419595688 /nfs/dbraw/zinc/59/56/88/419595688.db2.gz KXCWYRQOZZCMLK-CYBMUJFWSA-N 2 2 289.383 0.060 20 0 CBADLP Nc1ccc(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cn1 ZINC000647519140 419595695 /nfs/dbraw/zinc/59/56/95/419595695.db2.gz KXCWYRQOZZCMLK-CYBMUJFWSA-N 2 2 289.383 0.060 20 0 CBADLP CS(=O)(=O)N[C@H]1CCC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000647513804 419596396 /nfs/dbraw/zinc/59/63/96/419596396.db2.gz GBZYBVQPBKVGBW-RYUDHWBXSA-N 2 2 275.418 0.000 20 0 CBADLP CS(=O)(=O)N[C@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000647513804 419596403 /nfs/dbraw/zinc/59/64/03/419596403.db2.gz GBZYBVQPBKVGBW-RYUDHWBXSA-N 2 2 275.418 0.000 20 0 CBADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C(CO)CO ZINC000647515750 419597202 /nfs/dbraw/zinc/59/72/02/419597202.db2.gz IOIPNRHYOSUNHZ-CQSZACIVSA-N 2 2 268.357 -0.578 20 0 CBADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C(CO)CO ZINC000647515750 419597209 /nfs/dbraw/zinc/59/72/09/419597209.db2.gz IOIPNRHYOSUNHZ-CQSZACIVSA-N 2 2 268.357 -0.578 20 0 CBADLP C[N@H+](CCN1CCCS1(=O)=O)C[C@@]1(C)CC[NH2+]C1 ZINC000647518168 419597704 /nfs/dbraw/zinc/59/77/04/419597704.db2.gz KKYVMNFINWWUFA-LBPRGKRZSA-N 2 2 275.418 -0.047 20 0 CBADLP C[N@@H+](CCN1CCCS1(=O)=O)C[C@@]1(C)CC[NH2+]C1 ZINC000647518168 419597708 /nfs/dbraw/zinc/59/77/08/419597708.db2.gz KKYVMNFINWWUFA-LBPRGKRZSA-N 2 2 275.418 -0.047 20 0 CBADLP C[C@@H](O)[C@@H](CO)[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000647516801 419598201 /nfs/dbraw/zinc/59/82/01/419598201.db2.gz OSNKHXXOMPATJE-VHDGCEQUSA-N 2 2 282.384 -0.189 20 0 CBADLP C[C@@H](O)[C@@H](CO)[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000647516801 419598212 /nfs/dbraw/zinc/59/82/12/419598212.db2.gz OSNKHXXOMPATJE-VHDGCEQUSA-N 2 2 282.384 -0.189 20 0 CBADLP C[C@]1(C[N@@H+]2CCC[C@H](NS(C)(=O)=O)C2)CC[NH2+]C1 ZINC000647513834 419598453 /nfs/dbraw/zinc/59/84/53/419598453.db2.gz IRCKIIZITOACHE-RYUDHWBXSA-N 2 2 275.418 0.000 20 0 CBADLP C[C@]1(C[N@H+]2CCC[C@H](NS(C)(=O)=O)C2)CC[NH2+]C1 ZINC000647513834 419598476 /nfs/dbraw/zinc/59/84/76/419598476.db2.gz IRCKIIZITOACHE-RYUDHWBXSA-N 2 2 275.418 0.000 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C)C[C@H](CO)C1 ZINC000398759922 544583518 /nfs/dbraw/zinc/58/35/18/544583518.db2.gz IBYYZVXMKSZIHF-RDBSUJKOSA-N 2 2 274.405 -0.124 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C)C[C@H](CO)C1 ZINC000398759922 544583520 /nfs/dbraw/zinc/58/35/20/544583520.db2.gz IBYYZVXMKSZIHF-RDBSUJKOSA-N 2 2 274.405 -0.124 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C)C[C@H](CO)C1 ZINC000398759922 544583524 /nfs/dbraw/zinc/58/35/24/544583524.db2.gz IBYYZVXMKSZIHF-RDBSUJKOSA-N 2 2 274.405 -0.124 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](C)C[C@H](CO)C1 ZINC000398759922 544583528 /nfs/dbraw/zinc/58/35/28/544583528.db2.gz IBYYZVXMKSZIHF-RDBSUJKOSA-N 2 2 274.405 -0.124 20 0 CBADLP CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261554964 419599220 /nfs/dbraw/zinc/59/92/20/419599220.db2.gz BDSKZBXEGRBTSL-ZJUUUORDSA-N 2 2 254.334 -0.484 20 0 CBADLP CCNC(=O)NC(=O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261554964 419599229 /nfs/dbraw/zinc/59/92/29/419599229.db2.gz BDSKZBXEGRBTSL-ZJUUUORDSA-N 2 2 254.334 -0.484 20 0 CBADLP C[N@H+](C[C@@H](O)C[NH2+][C@@H]1CCCN(CCO)C1=O)C1CC1 ZINC000647531710 419602144 /nfs/dbraw/zinc/60/21/44/419602144.db2.gz URPRSZYKFBWXCF-QWHCGFSZSA-N 2 2 285.388 -0.986 20 0 CBADLP C[N@@H+](C[C@@H](O)C[NH2+][C@@H]1CCCN(CCO)C1=O)C1CC1 ZINC000647531710 419602152 /nfs/dbraw/zinc/60/21/52/419602152.db2.gz URPRSZYKFBWXCF-QWHCGFSZSA-N 2 2 285.388 -0.986 20 0 CBADLP CC(C)OC[C@H]([NH3+])C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000662446510 419604799 /nfs/dbraw/zinc/60/47/99/419604799.db2.gz FJWGMXRTZZRFCA-UPJWGTAASA-N 2 2 287.404 -0.036 20 0 CBADLP Nc1ccc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)cn1 ZINC000647541619 419606736 /nfs/dbraw/zinc/60/67/36/419606736.db2.gz JGNKKDXWTMLACN-ZDUSSCGKSA-N 2 2 261.373 0.143 20 0 CBADLP Nc1ccc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)cn1 ZINC000647541618 419608382 /nfs/dbraw/zinc/60/83/82/419608382.db2.gz JGNKKDXWTMLACN-CYBMUJFWSA-N 2 2 261.373 0.143 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1CCC[C@@H]1[NH3+])[NH+]1CCN(C)CC1 ZINC000662465763 419615132 /nfs/dbraw/zinc/61/51/32/419615132.db2.gz YPSIYXIUBGRFGQ-XQQFMLRXSA-N 2 2 268.405 -0.134 20 0 CBADLP CN(C)c1[nH+]cc(C[NH2+]C2COCCOC2)n1C ZINC000310981098 419618868 /nfs/dbraw/zinc/61/88/68/419618868.db2.gz RBFBQUXGWPFDHL-UHFFFAOYSA-N 2 2 254.334 -0.009 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCCC[C@@H]1CO ZINC000310924598 419618990 /nfs/dbraw/zinc/61/89/90/419618990.db2.gz SXYPNBTZOHWROG-CHWSQXEVSA-N 2 2 260.378 -0.228 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC[C@@H]1CO ZINC000310924598 419618999 /nfs/dbraw/zinc/61/89/99/419618999.db2.gz SXYPNBTZOHWROG-CHWSQXEVSA-N 2 2 260.378 -0.228 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCCC[C@@H]1CO ZINC000310924598 419619006 /nfs/dbraw/zinc/61/90/06/419619006.db2.gz SXYPNBTZOHWROG-CHWSQXEVSA-N 2 2 260.378 -0.228 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCCC[C@@H]1CO ZINC000310924598 419619012 /nfs/dbraw/zinc/61/90/12/419619012.db2.gz SXYPNBTZOHWROG-CHWSQXEVSA-N 2 2 260.378 -0.228 20 0 CBADLP CC(C)[NH2+]CC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000662481786 419619557 /nfs/dbraw/zinc/61/95/57/419619557.db2.gz CAOGNNLFSMWUDY-UHFFFAOYSA-N 2 2 270.377 -0.608 20 0 CBADLP Cc1cn2c([nH+]1)CN(C(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])CC2 ZINC000647597930 419621096 /nfs/dbraw/zinc/62/10/96/419621096.db2.gz ZTOZMYQTKIFSRR-UWVGGRQHSA-N 2 2 293.371 -0.224 20 0 CBADLP O=C(C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)NC[C@@H]1CCCO1 ZINC000311823079 419622622 /nfs/dbraw/zinc/62/26/22/419622622.db2.gz FBCHUICXISPBFR-AGIUHOORSA-N 2 2 267.373 -0.035 20 0 CBADLP O=C(C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)NC[C@@H]1CCCO1 ZINC000311823079 419622631 /nfs/dbraw/zinc/62/26/31/419622631.db2.gz FBCHUICXISPBFR-AGIUHOORSA-N 2 2 267.373 -0.035 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(OCCO)CC1 ZINC000313088301 419622809 /nfs/dbraw/zinc/62/28/09/419622809.db2.gz MLCCOWFLBFFNRC-ZDUSSCGKSA-N 2 2 290.404 -0.601 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC(OCCO)CC1 ZINC000313088301 419622818 /nfs/dbraw/zinc/62/28/18/419622818.db2.gz MLCCOWFLBFFNRC-ZDUSSCGKSA-N 2 2 290.404 -0.601 20 0 CBADLP O=C(C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)NC[C@H]1CCCO1 ZINC000311823088 419624135 /nfs/dbraw/zinc/62/41/35/419624135.db2.gz FBCHUICXISPBFR-XQQFMLRXSA-N 2 2 267.373 -0.035 20 0 CBADLP O=C(C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)NC[C@H]1CCCO1 ZINC000311823088 419624147 /nfs/dbraw/zinc/62/41/47/419624147.db2.gz FBCHUICXISPBFR-XQQFMLRXSA-N 2 2 267.373 -0.035 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000662629932 419660888 /nfs/dbraw/zinc/66/08/88/419660888.db2.gz BJMQZRPTXJTJCL-DZGCQCFKSA-N 3 2 282.432 -0.014 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000662629932 419660892 /nfs/dbraw/zinc/66/08/92/419660892.db2.gz BJMQZRPTXJTJCL-DZGCQCFKSA-N 3 2 282.432 -0.014 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]2C[NH2+]CCO2)[C@H](C)CO1 ZINC000662631159 419660987 /nfs/dbraw/zinc/66/09/87/419660987.db2.gz POJPWZNOUAVBRC-IJLUTSLNSA-N 2 2 271.361 -0.800 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2C[NH2+]CCO2)[C@H](C)CO1 ZINC000662631159 419660996 /nfs/dbraw/zinc/66/09/96/419660996.db2.gz POJPWZNOUAVBRC-IJLUTSLNSA-N 2 2 271.361 -0.800 20 0 CBADLP CC[C@H]([NH2+]C)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000662655501 419669142 /nfs/dbraw/zinc/66/91/42/419669142.db2.gz ILDMFBJDPWECJM-NEPJUHHUSA-N 2 2 255.362 -0.083 20 0 CBADLP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+](C)CCC[NH3+] ZINC000647848962 419669439 /nfs/dbraw/zinc/66/94/39/419669439.db2.gz BJSPBWQENLKWGP-SNVBAGLBSA-N 2 2 270.377 -0.608 20 0 CBADLP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+](C)CCC[NH3+] ZINC000647848962 419669449 /nfs/dbraw/zinc/66/94/49/419669449.db2.gz BJSPBWQENLKWGP-SNVBAGLBSA-N 2 2 270.377 -0.608 20 0 CBADLP COCc1noc(C[N@H+](C)CCN2CC[NH2+]CC2)n1 ZINC000647836177 419669532 /nfs/dbraw/zinc/66/95/32/419669532.db2.gz IBHIDLAYMDOZJY-UHFFFAOYSA-N 2 2 269.349 -0.447 20 0 CBADLP COCc1noc(C[N@@H+](C)CCN2CC[NH2+]CC2)n1 ZINC000647836177 419669542 /nfs/dbraw/zinc/66/95/42/419669542.db2.gz IBHIDLAYMDOZJY-UHFFFAOYSA-N 2 2 269.349 -0.447 20 0 CBADLP O=C(COC1CC[NH2+]CC1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000662655843 419671672 /nfs/dbraw/zinc/67/16/72/419671672.db2.gz LLHPIOGGJIIEJR-ZDUSSCGKSA-N 2 2 297.399 -0.312 20 0 CBADLP Cn1ncc2c1nc(NC[C@@H]1CCC[NH2+]C1)[nH+]c2N ZINC000333889516 419672841 /nfs/dbraw/zinc/67/28/41/419672841.db2.gz GOMRKAIAKWEIAK-MRVPVSSYSA-N 2 2 261.333 0.357 20 0 CBADLP O=C(N1CC[NH+](Cc2cccs2)CC1)C1(O)C[NH2+]C1 ZINC000662666777 419674235 /nfs/dbraw/zinc/67/42/35/419674235.db2.gz SFLVFSLHPQNVIE-UHFFFAOYSA-N 2 2 281.381 -0.273 20 0 CBADLP Cc1cc(CO)cc(NC[C@@H]2C[N@@H+](C)CCN2C)[nH+]1 ZINC000647868448 419675248 /nfs/dbraw/zinc/67/52/48/419675248.db2.gz WBDUHWBVYPAVFZ-CYBMUJFWSA-N 2 2 264.373 0.540 20 0 CBADLP Cc1cc(CO)cc(NC[C@@H]2C[N@H+](C)CCN2C)[nH+]1 ZINC000647868448 419675255 /nfs/dbraw/zinc/67/52/55/419675255.db2.gz WBDUHWBVYPAVFZ-CYBMUJFWSA-N 2 2 264.373 0.540 20 0 CBADLP C[C@H]([NH3+])[C@H]1C[N@H+](CCCN2C(=O)NC(C)(C)C2=O)CCO1 ZINC000647864621 419677967 /nfs/dbraw/zinc/67/79/67/419677967.db2.gz YGICWFSMLCFRMX-WDEREUQCSA-N 2 2 298.387 -0.245 20 0 CBADLP C[C@H]([NH3+])[C@H]1C[N@@H+](CCCN2C(=O)NC(C)(C)C2=O)CCO1 ZINC000647864621 419677974 /nfs/dbraw/zinc/67/79/74/419677974.db2.gz YGICWFSMLCFRMX-WDEREUQCSA-N 2 2 298.387 -0.245 20 0 CBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000336826823 419678997 /nfs/dbraw/zinc/67/89/97/419678997.db2.gz WLSZTUCZYUZGPG-LSDHHAIUSA-N 2 2 283.416 -0.152 20 0 CBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000336826823 419679006 /nfs/dbraw/zinc/67/90/06/419679006.db2.gz WLSZTUCZYUZGPG-LSDHHAIUSA-N 2 2 283.416 -0.152 20 0 CBADLP C[N@H+]1CCN(C(=O)[C@H]2C[NH2+]CCC2(F)F)[C@@H](C[NH3+])C1 ZINC000647874210 419679252 /nfs/dbraw/zinc/67/92/52/419679252.db2.gz IMHAKJVDTTXVLD-VHSXEESVSA-N 3 2 276.331 -0.668 20 0 CBADLP CS(=O)(=O)N1CCC[N@H+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000647874747 419679528 /nfs/dbraw/zinc/67/95/28/419679528.db2.gz UBZKCTWIMJFHOF-LLVKDONJSA-N 2 2 261.391 -0.437 20 0 CBADLP CS(=O)(=O)N1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000647874747 419679537 /nfs/dbraw/zinc/67/95/37/419679537.db2.gz UBZKCTWIMJFHOF-LLVKDONJSA-N 2 2 261.391 -0.437 20 0 CBADLP C[C@H](CNC(=O)C1(O)C[NH2+]C1)[N@@H+]1CCc2sccc2C1 ZINC000662685404 419680335 /nfs/dbraw/zinc/68/03/35/419680335.db2.gz SGQXZMHMALLKFL-SNVBAGLBSA-N 2 2 295.408 -0.055 20 0 CBADLP C[C@H](CNC(=O)C1(O)C[NH2+]C1)[N@H+]1CCc2sccc2C1 ZINC000662685404 419680343 /nfs/dbraw/zinc/68/03/43/419680343.db2.gz SGQXZMHMALLKFL-SNVBAGLBSA-N 2 2 295.408 -0.055 20 0 CBADLP O=C(NCCc1cn2c([nH+]1)CCCC2)C1(O)C[NH2+]C1 ZINC000662685430 419681097 /nfs/dbraw/zinc/68/10/97/419681097.db2.gz SXQFWOHRYOQSAH-UHFFFAOYSA-N 2 2 264.329 -0.788 20 0 CBADLP O=C([C@@H]1CCCO1)N1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000647872211 419681809 /nfs/dbraw/zinc/68/18/09/419681809.db2.gz HEPXLZIYGULBPI-OLZOCXBDSA-N 2 2 267.373 -0.081 20 0 CBADLP C[C@H](CNC(=O)[C@H]1CCO[C@H]1C[NH3+])Cn1cc[nH+]c1 ZINC000662689319 419686153 /nfs/dbraw/zinc/68/61/53/419686153.db2.gz UINFPOCLUNBWQS-WOPDTQHZSA-N 2 2 266.345 -0.001 20 0 CBADLP O=C(NCC[NH+]1Cc2ccccc2C1)C1(O)C[NH2+]C1 ZINC000662694354 419688580 /nfs/dbraw/zinc/68/85/80/419688580.db2.gz PSODACYCOYBPMD-UHFFFAOYSA-N 2 2 261.325 -0.547 20 0 CBADLP O=C(N1CCC[C@H](c2[nH]cc[nH+]2)C1)C1(O)C[NH2+]C1 ZINC000662694267 419690366 /nfs/dbraw/zinc/69/03/66/419690366.db2.gz ZQBWFOBTJVJFRH-VIFPVBQESA-N 2 2 250.302 -0.550 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[NH+]1CCC(C)([NH3+])CC1 ZINC000647927018 419690685 /nfs/dbraw/zinc/69/06/85/419690685.db2.gz WNISQZAFZNMERL-UHFFFAOYSA-N 2 2 284.404 -0.216 20 0 CBADLP CC1(C)C[N@H+](CCNC(=O)[C@@H]2CCO[C@@H]2C[NH3+])CCO1 ZINC000662702085 419693510 /nfs/dbraw/zinc/69/35/10/419693510.db2.gz XCDPINSIJXYBJO-VXGBXAGGSA-N 2 2 285.388 -0.423 20 0 CBADLP CC1(C)C[N@@H+](CCNC(=O)[C@@H]2CCO[C@@H]2C[NH3+])CCO1 ZINC000662702085 419693513 /nfs/dbraw/zinc/69/35/13/419693513.db2.gz XCDPINSIJXYBJO-VXGBXAGGSA-N 2 2 285.388 -0.423 20 0 CBADLP CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000662704233 419694702 /nfs/dbraw/zinc/69/47/02/419694702.db2.gz XAQUPDSBKHADQU-VXGBXAGGSA-N 3 2 256.394 -0.134 20 0 CBADLP CCC[N@H+]1CC[C@@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000662704233 419694707 /nfs/dbraw/zinc/69/47/07/419694707.db2.gz XAQUPDSBKHADQU-VXGBXAGGSA-N 3 2 256.394 -0.134 20 0 CBADLP CCC[N@@H+]1CC[C@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000662704231 419695305 /nfs/dbraw/zinc/69/53/05/419695305.db2.gz XAQUPDSBKHADQU-NWDGAFQWSA-N 3 2 256.394 -0.134 20 0 CBADLP CCC[N@H+]1CC[C@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000662704231 419695311 /nfs/dbraw/zinc/69/53/11/419695311.db2.gz XAQUPDSBKHADQU-NWDGAFQWSA-N 3 2 256.394 -0.134 20 0 CBADLP CC(C)[N@H+](C)C[C@@H](O)CN(C)CC[NH+]1CCOCC1 ZINC000647962321 419698308 /nfs/dbraw/zinc/69/83/08/419698308.db2.gz YTOLHFRBMLIRRV-AWEZNQCLSA-N 2 2 273.421 -0.049 20 0 CBADLP CC(C)[N@@H+](C)C[C@@H](O)CN(C)CC[NH+]1CCOCC1 ZINC000647962321 419698315 /nfs/dbraw/zinc/69/83/15/419698315.db2.gz YTOLHFRBMLIRRV-AWEZNQCLSA-N 2 2 273.421 -0.049 20 0 CBADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)CCN1CCOCC1 ZINC000647962321 419698321 /nfs/dbraw/zinc/69/83/21/419698321.db2.gz YTOLHFRBMLIRRV-AWEZNQCLSA-N 2 2 273.421 -0.049 20 0 CBADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)CCN1CCOCC1 ZINC000647962321 419698328 /nfs/dbraw/zinc/69/83/28/419698328.db2.gz YTOLHFRBMLIRRV-AWEZNQCLSA-N 2 2 273.421 -0.049 20 0 CBADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)CCN1CCOCC1 ZINC000647962321 419698337 /nfs/dbraw/zinc/69/83/37/419698337.db2.gz YTOLHFRBMLIRRV-AWEZNQCLSA-N 2 2 273.421 -0.049 20 0 CBADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)CCN1CCOCC1 ZINC000647962321 419698341 /nfs/dbraw/zinc/69/83/41/419698341.db2.gz YTOLHFRBMLIRRV-AWEZNQCLSA-N 2 2 273.421 -0.049 20 0 CBADLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000662715503 419698866 /nfs/dbraw/zinc/69/88/66/419698866.db2.gz UDYLCNMNMCSOAN-NWDGAFQWSA-N 2 2 285.388 -0.423 20 0 CBADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000662715503 419698873 /nfs/dbraw/zinc/69/88/73/419698873.db2.gz UDYLCNMNMCSOAN-NWDGAFQWSA-N 2 2 285.388 -0.423 20 0 CBADLP COCCN1CCC[N@H+](C[C@@H]2CC[NH2+]C2)CC1=O ZINC000647990806 419704318 /nfs/dbraw/zinc/70/43/18/419704318.db2.gz JGVKWKXZCUZERD-GFCCVEGCSA-N 2 2 255.362 -0.223 20 0 CBADLP COCCN1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)CC1=O ZINC000647990806 419704325 /nfs/dbraw/zinc/70/43/25/419704325.db2.gz JGVKWKXZCUZERD-GFCCVEGCSA-N 2 2 255.362 -0.223 20 0 CBADLP Cc1ccc(NCCCNC(=O)C2(O)C[NH2+]C2)[nH+]c1 ZINC000662735040 419705851 /nfs/dbraw/zinc/70/58/51/419705851.db2.gz KUHHCPLWHGLMSO-UHFFFAOYSA-N 2 2 264.329 -0.357 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000662730487 419706413 /nfs/dbraw/zinc/70/64/13/419706413.db2.gz GRRRDUCENLEYSR-GFCCVEGCSA-N 2 2 286.420 -0.068 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000662730487 419706421 /nfs/dbraw/zinc/70/64/21/419706421.db2.gz GRRRDUCENLEYSR-GFCCVEGCSA-N 2 2 286.420 -0.068 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C[C@H]1C[NH2+]CCO1 ZINC000662633690 419656648 /nfs/dbraw/zinc/65/66/48/419656648.db2.gz NXSQNLXYVUUNCO-ZDUSSCGKSA-N 3 2 286.420 -0.635 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C[C@H]1C[NH2+]CCO1 ZINC000662633690 419656657 /nfs/dbraw/zinc/65/66/57/419656657.db2.gz NXSQNLXYVUUNCO-ZDUSSCGKSA-N 3 2 286.420 -0.635 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(C)(C)C[NH3+] ZINC000662632640 419658600 /nfs/dbraw/zinc/65/86/00/419658600.db2.gz SAIXUQNCOQSZNB-UHFFFAOYSA-N 3 2 258.410 -0.029 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(C)(C)C[NH3+] ZINC000662632640 419658602 /nfs/dbraw/zinc/65/86/02/419658602.db2.gz SAIXUQNCOQSZNB-UHFFFAOYSA-N 3 2 258.410 -0.029 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)COCC[NH3+])[C@@H](C)CO1 ZINC000662629747 419658970 /nfs/dbraw/zinc/65/89/70/419658970.db2.gz HBBKRCXVKLZRLW-QWRGUYRKSA-N 2 2 259.350 -0.813 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)COCC[NH3+])[C@@H](C)CO1 ZINC000662629747 419658974 /nfs/dbraw/zinc/65/89/74/419658974.db2.gz HBBKRCXVKLZRLW-QWRGUYRKSA-N 2 2 259.350 -0.813 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NC[C@H](C)C[NH+](C)C ZINC000341225743 419730157 /nfs/dbraw/zinc/73/01/57/419730157.db2.gz CNGZMSXFCRAAIT-LBPRGKRZSA-N 2 2 286.420 -0.243 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NC[C@H](C)C[NH+](C)C ZINC000341225743 419730162 /nfs/dbraw/zinc/73/01/62/419730162.db2.gz CNGZMSXFCRAAIT-LBPRGKRZSA-N 2 2 286.420 -0.243 20 0 CBADLP COCCOCC[NH+]1CCN(C(=O)CC2([NH3+])CC2)CC1 ZINC000662832802 419741980 /nfs/dbraw/zinc/74/19/80/419741980.db2.gz LETKPFRSPSBFAY-UHFFFAOYSA-N 2 2 285.388 -0.325 20 0 CBADLP COC[C@]1(C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)CCC[NH2+]1 ZINC000662858405 419750589 /nfs/dbraw/zinc/75/05/89/419750589.db2.gz GVTCOYRBUMXSGB-GUTXKFCHSA-N 2 2 299.415 -0.020 20 0 CBADLP COC[C@]1(C(=O)NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)CCC[NH2+]1 ZINC000662858405 419750595 /nfs/dbraw/zinc/75/05/95/419750595.db2.gz GVTCOYRBUMXSGB-GUTXKFCHSA-N 2 2 299.415 -0.020 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)[C@H]2CSC[NH2+]2)[C@@H](C)CO1 ZINC000662859276 419750771 /nfs/dbraw/zinc/75/07/71/419750771.db2.gz MGLNQCQXCQISAQ-GARJFASQSA-N 2 2 273.402 -0.126 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)[C@H]2CSC[NH2+]2)[C@@H](C)CO1 ZINC000662859276 419750778 /nfs/dbraw/zinc/75/07/78/419750778.db2.gz MGLNQCQXCQISAQ-GARJFASQSA-N 2 2 273.402 -0.126 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000662857984 419752828 /nfs/dbraw/zinc/75/28/28/419752828.db2.gz SCIDWYKFCRNRJQ-OLZOCXBDSA-N 3 2 286.420 -0.650 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000662857984 419752836 /nfs/dbraw/zinc/75/28/36/419752836.db2.gz SCIDWYKFCRNRJQ-OLZOCXBDSA-N 3 2 286.420 -0.650 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]2C[C@@H]([NH3+])C2)[C@H](C)CO1 ZINC000662860691 419755384 /nfs/dbraw/zinc/75/53/84/419755384.db2.gz UFZCYJYYTLRNBL-KKOKHZNYSA-N 2 2 255.362 -0.051 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2C[C@@H]([NH3+])C2)[C@H](C)CO1 ZINC000662860691 419755395 /nfs/dbraw/zinc/75/53/95/419755395.db2.gz UFZCYJYYTLRNBL-KKOKHZNYSA-N 2 2 255.362 -0.051 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)[C@@H]2CCC[NH2+]2)[C@@H](C)CO1 ZINC000662860903 419755913 /nfs/dbraw/zinc/75/59/13/419755913.db2.gz VHQBZSVKLDQRHB-SRVKXCTJSA-N 2 2 255.362 -0.036 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)[C@@H]2CCC[NH2+]2)[C@@H](C)CO1 ZINC000662860903 419755922 /nfs/dbraw/zinc/75/59/22/419755922.db2.gz VHQBZSVKLDQRHB-SRVKXCTJSA-N 2 2 255.362 -0.036 20 0 CBADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)CC(C)(C)[NH3+])CC1 ZINC000648150296 419760271 /nfs/dbraw/zinc/76/02/71/419760271.db2.gz PSCNUPIMBOSOKG-UHFFFAOYSA-N 2 2 284.404 -0.216 20 0 CBADLP CCNC(=O)C[N@H+]1CCCN(C(=O)CC(C)(C)[NH3+])CC1 ZINC000648150296 419760278 /nfs/dbraw/zinc/76/02/78/419760278.db2.gz PSCNUPIMBOSOKG-UHFFFAOYSA-N 2 2 284.404 -0.216 20 0 CBADLP [NH3+]CC1(CC(=O)NC[C@H]2CN3CC[N@@H+]2CCC3)CC1 ZINC000662906411 419767553 /nfs/dbraw/zinc/76/75/53/419767553.db2.gz KAQZVCMSWJSLOC-LBPRGKRZSA-N 2 2 266.389 -0.379 20 0 CBADLP [NH3+]CC1(CC(=O)NC[C@H]2CN3CC[N@H+]2CCC3)CC1 ZINC000662906411 419767559 /nfs/dbraw/zinc/76/75/59/419767559.db2.gz KAQZVCMSWJSLOC-LBPRGKRZSA-N 2 2 266.389 -0.379 20 0 CBADLP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000662932780 419780249 /nfs/dbraw/zinc/78/02/49/419780249.db2.gz FTTKOPAVEALOHW-KOLCDFICSA-N 2 2 281.360 -0.303 20 0 CBADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](CC)[NH2+]C)CC1 ZINC000662787275 419722242 /nfs/dbraw/zinc/72/22/42/419722242.db2.gz LDSRAZKOGZHNDV-GFCCVEGCSA-N 2 2 284.404 -0.345 20 0 CBADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](CC)[NH2+]C)CC1 ZINC000662787275 419722250 /nfs/dbraw/zinc/72/22/50/419722250.db2.gz LDSRAZKOGZHNDV-GFCCVEGCSA-N 2 2 284.404 -0.345 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000662787748 419724081 /nfs/dbraw/zinc/72/40/81/419724081.db2.gz CZCSDXGDIWXRCL-NWDGAFQWSA-N 2 2 271.361 -0.859 20 0 CBADLP C[C@@H]1CCN(C(=O)C(=O)N(C)Cc2c[nH+]c[nH]2)[C@H](C[NH3+])C1 ZINC000662981058 419805141 /nfs/dbraw/zinc/80/51/41/419805141.db2.gz LUVOKEGVDVTUKE-PWSUYJOCSA-N 2 2 293.371 -0.046 20 0 CBADLP C[C@@H]1CCN(C(=O)C(=O)N(C)Cc2c[nH]c[nH+]2)[C@H](C[NH3+])C1 ZINC000662981058 419805145 /nfs/dbraw/zinc/80/51/45/419805145.db2.gz LUVOKEGVDVTUKE-PWSUYJOCSA-N 2 2 293.371 -0.046 20 0 CBADLP C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)CC[N@@H+]1C ZINC000648815275 419806218 /nfs/dbraw/zinc/80/62/18/419806218.db2.gz KBEFPBGMASDLKV-MGPQQGTHSA-N 2 2 299.415 -0.522 20 0 CBADLP C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)CC[N@H+]1C ZINC000648815275 419806220 /nfs/dbraw/zinc/80/62/20/419806220.db2.gz KBEFPBGMASDLKV-MGPQQGTHSA-N 2 2 299.415 -0.522 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)C(=O)NCC[NH+](C)C ZINC000518396963 544601759 /nfs/dbraw/zinc/60/17/59/544601759.db2.gz KTQWBLNODAPWDS-SNVBAGLBSA-N 2 2 281.360 -0.557 20 0 CBADLP Cc1[nH]c[nH+]c1CC(=O)N[C@H](C)C(=O)NCC[NH+](C)C ZINC000518396963 544601763 /nfs/dbraw/zinc/60/17/63/544601763.db2.gz KTQWBLNODAPWDS-SNVBAGLBSA-N 2 2 281.360 -0.557 20 0 CBADLP CC(C)(CNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)[NH+]1CCOCC1 ZINC000649277632 419858817 /nfs/dbraw/zinc/85/88/17/419858817.db2.gz LAXYKGNOGPFOOC-UTUOFQBUSA-N 2 2 267.373 -0.036 20 0 CBADLP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)Cc1c[nH+]cn1C ZINC000649071147 419831557 /nfs/dbraw/zinc/83/15/57/419831557.db2.gz DCGBUOKSKTYYPT-NSHDSACASA-N 2 2 293.371 -0.459 20 0 CBADLP CCCN1CC[C@H]([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)C1 ZINC000663366566 419833743 /nfs/dbraw/zinc/83/37/43/419833743.db2.gz WQBBBRODBZYZSI-GJZGRUSLSA-N 2 2 284.448 -0.331 20 0 CBADLP CC[NH+]1CCN(CCNc2nc[nH+]c3c2OCCN3)CC1 ZINC000663396646 419836054 /nfs/dbraw/zinc/83/60/54/419836054.db2.gz GEYKVTOBNRWTMU-UHFFFAOYSA-N 2 2 292.387 -0.557 20 0 CBADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](C[C@@]23C[C@@H]2C[NH2+]C3)C1 ZINC000663492592 419843543 /nfs/dbraw/zinc/84/35/43/419843543.db2.gz AHHYHPXFOURVOR-NFAWXSAZSA-N 3 2 278.400 -0.508 20 0 CBADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](C[C@@]23C[C@@H]2C[NH2+]C3)C1 ZINC000663492592 419843547 /nfs/dbraw/zinc/84/35/47/419843547.db2.gz AHHYHPXFOURVOR-NFAWXSAZSA-N 3 2 278.400 -0.508 20 0 CBADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](C[C@]23C[C@H]2C[NH2+]C3)C1 ZINC000663492591 419844209 /nfs/dbraw/zinc/84/42/09/419844209.db2.gz AHHYHPXFOURVOR-GZBFAFLISA-N 3 2 278.400 -0.508 20 0 CBADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](C[C@]23C[C@H]2C[NH2+]C3)C1 ZINC000663492591 419844215 /nfs/dbraw/zinc/84/42/15/419844215.db2.gz AHHYHPXFOURVOR-GZBFAFLISA-N 3 2 278.400 -0.508 20 0 CBADLP COC[C@H]([NH3+])C(=O)NCCCNc1ccc(C)c[nH+]1 ZINC000354068458 419844583 /nfs/dbraw/zinc/84/45/83/419844583.db2.gz OTMPIBQGYYTBAQ-NSHDSACASA-N 2 2 266.345 0.282 20 0 CBADLP Cc1cn2c([nH+]1)CN(C(=O)C(=O)N(C)CCC[NH3+])CC2 ZINC000662939659 419788460 /nfs/dbraw/zinc/78/84/60/419788460.db2.gz BVFCZXLHVFBPOX-UHFFFAOYSA-N 2 2 279.344 -0.659 20 0 CBADLP C[C@@H]1CN(C(=O)C(=O)N(C)Cc2c[nH+]c[nH]2)C[C@@H](C)[NH2+]1 ZINC000662953754 419792141 /nfs/dbraw/zinc/79/21/41/419792141.db2.gz PNJGPOLBYQSCPQ-NXEZZACHSA-N 2 2 279.344 -0.423 20 0 CBADLP C[C@@H]1CN(C(=O)C(=O)N(C)Cc2c[nH]c[nH+]2)C[C@@H](C)[NH2+]1 ZINC000662953754 419792146 /nfs/dbraw/zinc/79/21/46/419792146.db2.gz PNJGPOLBYQSCPQ-NXEZZACHSA-N 2 2 279.344 -0.423 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000648734560 419798338 /nfs/dbraw/zinc/79/83/38/419798338.db2.gz QTEMEEMPARHSNB-TZMCWYRMSA-N 2 2 296.415 -0.393 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000648734560 419798344 /nfs/dbraw/zinc/79/83/44/419798344.db2.gz QTEMEEMPARHSNB-TZMCWYRMSA-N 2 2 296.415 -0.393 20 0 CBADLP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000649303614 419872071 /nfs/dbraw/zinc/87/20/71/419872071.db2.gz LSGLAFKXGPULND-IGQOVBAYSA-N 2 2 279.384 -0.225 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2[NH2+]CC2(C)C)CCO1 ZINC000649312001 419873062 /nfs/dbraw/zinc/87/30/62/419873062.db2.gz BHBMRHGIFSQFTC-MNOVXSKESA-N 2 2 255.362 -0.179 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2[NH2+]CC2(C)C)CCO1 ZINC000649312001 419873066 /nfs/dbraw/zinc/87/30/66/419873066.db2.gz BHBMRHGIFSQFTC-MNOVXSKESA-N 2 2 255.362 -0.179 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)C[C@@H]2CC[NH2+]C2)CCO1 ZINC000649312135 419874296 /nfs/dbraw/zinc/87/42/96/419874296.db2.gz SMDJMUKQCIWSPS-RYUDHWBXSA-N 2 2 255.362 -0.177 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)C[C@@H]2CC[NH2+]C2)CCO1 ZINC000649312135 419874302 /nfs/dbraw/zinc/87/43/02/419874302.db2.gz SMDJMUKQCIWSPS-RYUDHWBXSA-N 2 2 255.362 -0.177 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]2[NH2+]CC2(C)C)CCO1 ZINC000649312000 419875273 /nfs/dbraw/zinc/87/52/73/419875273.db2.gz BHBMRHGIFSQFTC-GHMZBOCLSA-N 2 2 255.362 -0.179 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2[NH2+]CC2(C)C)CCO1 ZINC000649312000 419875279 /nfs/dbraw/zinc/87/52/79/419875279.db2.gz BHBMRHGIFSQFTC-GHMZBOCLSA-N 2 2 255.362 -0.179 20 0 CBADLP C[C@@H](CCNC(=O)NC[C@H]1CN(C)CC[N@@H+]1C)[NH+](C)C ZINC000664082230 419880367 /nfs/dbraw/zinc/88/03/67/419880367.db2.gz ACOLMKMNFUVCQO-STQMWFEESA-N 2 2 285.436 -0.128 20 0 CBADLP C[C@@H](CCNC(=O)NC[C@H]1CN(C)CC[N@H+]1C)[NH+](C)C ZINC000664082230 419880372 /nfs/dbraw/zinc/88/03/72/419880372.db2.gz ACOLMKMNFUVCQO-STQMWFEESA-N 2 2 285.436 -0.128 20 0 CBADLP CC(C)([NH3+])CCC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000649342580 419898169 /nfs/dbraw/zinc/89/81/69/419898169.db2.gz AQNOKXTVCLBSAY-UHFFFAOYSA-N 2 2 284.404 -0.088 20 0 CBADLP C[C@H]([C@H](C)NC(=O)COC1(C)C[NH2+]C1)[NH+]1CCOCC1 ZINC000649323312 419889065 /nfs/dbraw/zinc/88/90/65/419889065.db2.gz VTPKMUJBIOIKTC-NWDGAFQWSA-N 2 2 285.388 -0.410 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNc1cc[nH+]cc1C(N)=O ZINC000664248499 419891231 /nfs/dbraw/zinc/89/12/31/419891231.db2.gz ZERAZHYKGUGCJD-UHFFFAOYSA-N 3 2 279.388 -0.102 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNc1cc[nH+]cc1C(N)=O ZINC000664248499 419891237 /nfs/dbraw/zinc/89/12/37/419891237.db2.gz ZERAZHYKGUGCJD-UHFFFAOYSA-N 3 2 279.388 -0.102 20 0 CBADLP C[C@@H]1C[N@H+](CCO)CCN1c1nc[nH+]c2c1OCCN2 ZINC000665722729 544613530 /nfs/dbraw/zinc/61/35/30/544613530.db2.gz OYJOZVXQLKTUBI-SNVBAGLBSA-N 2 2 279.344 -0.216 20 0 CBADLP C[C@@H]1C[N@@H+](CCO)CCN1c1nc[nH+]c2c1OCCN2 ZINC000665722729 544613533 /nfs/dbraw/zinc/61/35/33/544613533.db2.gz OYJOZVXQLKTUBI-SNVBAGLBSA-N 2 2 279.344 -0.216 20 0 CBADLP C[C@@H](O)C[NH+]1CCN(c2nc[nH+]c3c2OCCN3)CC1 ZINC000665697978 544614191 /nfs/dbraw/zinc/61/41/91/544614191.db2.gz FUJWTFXVBPQPLR-SNVBAGLBSA-N 2 2 279.344 -0.216 20 0 CBADLP C[C@H]1CN(c2nc[nH+]c3c2OCCN3)CC[N@@H+]1CCO ZINC000665712781 544614413 /nfs/dbraw/zinc/61/44/13/544614413.db2.gz QXTPIUCMUJXAGI-JTQLQIEISA-N 2 2 279.344 -0.216 20 0 CBADLP C[C@H]1CN(c2nc[nH+]c3c2OCCN3)CC[N@H+]1CCO ZINC000665712781 544614416 /nfs/dbraw/zinc/61/44/16/544614416.db2.gz QXTPIUCMUJXAGI-JTQLQIEISA-N 2 2 279.344 -0.216 20 0 CBADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000649343574 419900413 /nfs/dbraw/zinc/90/04/13/419900413.db2.gz HQNQPIAQLYJPCV-WDNDVIMCSA-N 3 2 280.416 -0.406 20 0 CBADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@H]2CS(N)(=O)=O)n1C ZINC000667637565 544669158 /nfs/dbraw/zinc/66/91/58/544669158.db2.gz XWCONQNJEGRLSJ-JTQLQIEISA-N 2 2 272.374 -0.019 20 0 CBADLP Cc1[nH+]cc(C[N@H+]2CCC[C@H]2CS(N)(=O)=O)n1C ZINC000667637565 544669160 /nfs/dbraw/zinc/66/91/60/544669160.db2.gz XWCONQNJEGRLSJ-JTQLQIEISA-N 2 2 272.374 -0.019 20 0 CBADLP CCOC[C@H](O)C[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000358594979 419905144 /nfs/dbraw/zinc/90/51/44/419905144.db2.gz CUCWJQSZJXELEY-GFCCVEGCSA-N 2 2 273.377 -0.910 20 0 CBADLP CNC(=O)C[N@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000668790577 544721609 /nfs/dbraw/zinc/72/16/09/544721609.db2.gz PSTAFMARZCWKHY-UHFFFAOYSA-N 2 2 292.387 -0.594 20 0 CBADLP CNC(=O)C[N@@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000668790577 544721611 /nfs/dbraw/zinc/72/16/11/544721611.db2.gz PSTAFMARZCWKHY-UHFFFAOYSA-N 2 2 292.387 -0.594 20 0 CBADLP NC(=O)c1ccc(N2CC[NH+](C[C@@H]3CC[NH2+]C3)CC2)nc1 ZINC000649411547 419908933 /nfs/dbraw/zinc/90/89/33/419908933.db2.gz DMYLPJTYFOFRNS-GFCCVEGCSA-N 2 2 289.383 -0.088 20 0 CBADLP Cc1cc(NC(=O)C[N@H+](C)CCN2CC[NH2+]CC2)n(C)n1 ZINC000649409766 419910759 /nfs/dbraw/zinc/91/07/59/419910759.db2.gz VHNPAOFXABEYRG-UHFFFAOYSA-N 2 2 294.403 -0.496 20 0 CBADLP Cc1cc(NC(=O)C[N@@H+](C)CCN2CC[NH2+]CC2)n(C)n1 ZINC000649409766 419910763 /nfs/dbraw/zinc/91/07/63/419910763.db2.gz VHNPAOFXABEYRG-UHFFFAOYSA-N 2 2 294.403 -0.496 20 0 CBADLP Cc1[nH+]cc(CN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)n1C ZINC000668296264 544691360 /nfs/dbraw/zinc/69/13/60/544691360.db2.gz JTKGDDPZLXPNAA-WCQYABFASA-N 2 2 250.346 -0.021 20 0 CBADLP Cc1[nH+]cc(CN2CC[N@H+]3C[C@H](O)C[C@H]3C2)n1C ZINC000668296264 544691363 /nfs/dbraw/zinc/69/13/63/544691363.db2.gz JTKGDDPZLXPNAA-WCQYABFASA-N 2 2 250.346 -0.021 20 0 CBADLP C[C@H]1C[C@@H](C(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)CC[NH2+]1 ZINC000358693801 419912164 /nfs/dbraw/zinc/91/21/64/419912164.db2.gz QUUJUTQONCUFLU-RYUDHWBXSA-N 2 2 296.415 -0.217 20 0 CBADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1CCOC2(C[NH2+]C2)C1 ZINC000664727702 419913621 /nfs/dbraw/zinc/91/36/21/419913621.db2.gz OLFXFAOQQLGBLT-NSHDSACASA-N 2 2 276.340 -0.354 20 0 CBADLP [NH3+]CC1(CCNC(=O)NCC[NH+]2CCOCC2)CC1 ZINC000649480664 419913854 /nfs/dbraw/zinc/91/38/54/419913854.db2.gz OADHKHNORAFSPQ-UHFFFAOYSA-N 2 2 270.377 -0.253 20 0 CBADLP CN(C(=O)[C@H]1CC(=O)N1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000668616641 544711759 /nfs/dbraw/zinc/71/17/59/544711759.db2.gz FZYJAZIORFMZGO-CHWSQXEVSA-N 2 2 294.399 -0.498 20 0 CBADLP CN(C(=O)[C@H]1CC(=O)N1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000668616641 544711765 /nfs/dbraw/zinc/71/17/65/544711765.db2.gz FZYJAZIORFMZGO-CHWSQXEVSA-N 2 2 294.399 -0.498 20 0 CBADLP O=C(NCCn1cc[nH+]c1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000649498540 419915760 /nfs/dbraw/zinc/91/57/60/419915760.db2.gz OKQWPOGVXBSKBC-GFCCVEGCSA-N 2 2 279.344 -0.657 20 0 CBADLP O=C(NCCn1cc[nH+]c1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000649498540 419915762 /nfs/dbraw/zinc/91/57/62/419915762.db2.gz OKQWPOGVXBSKBC-GFCCVEGCSA-N 2 2 279.344 -0.657 20 0 CBADLP C[N@@H+]1CCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)[C@H](C[NH3+])C1 ZINC000669512557 544750774 /nfs/dbraw/zinc/75/07/74/544750774.db2.gz AFKIIJIWRHTUBC-GRYCIOLGSA-N 3 2 254.378 -0.395 20 0 CBADLP C[N@H+]1CCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)[C@H](C[NH3+])C1 ZINC000669512557 544750776 /nfs/dbraw/zinc/75/07/76/544750776.db2.gz AFKIIJIWRHTUBC-GRYCIOLGSA-N 3 2 254.378 -0.395 20 0 CBADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)[C@@H](C[NH3+])C1 ZINC000669491021 544750986 /nfs/dbraw/zinc/75/09/86/544750986.db2.gz IPBUOFCTNFIDHQ-KGLIPLIRSA-N 3 2 295.431 -0.245 20 0 CBADLP C[N@H+]1CCN(C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)[C@@H](C[NH3+])C1 ZINC000669491021 544750991 /nfs/dbraw/zinc/75/09/91/544750991.db2.gz IPBUOFCTNFIDHQ-KGLIPLIRSA-N 3 2 295.431 -0.245 20 0 CBADLP C[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)[C@@H](C[NH3+])C1 ZINC000669491021 544750997 /nfs/dbraw/zinc/75/09/97/544750997.db2.gz IPBUOFCTNFIDHQ-KGLIPLIRSA-N 3 2 295.431 -0.245 20 0 CBADLP C[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)[C@@H](C[NH3+])C1 ZINC000669491021 544751002 /nfs/dbraw/zinc/75/10/02/544751002.db2.gz IPBUOFCTNFIDHQ-KGLIPLIRSA-N 3 2 295.431 -0.245 20 0 CBADLP C[C@@H](NC(=O)N1CC[NH2+][C@H](C)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000669538174 544752994 /nfs/dbraw/zinc/75/29/94/544752994.db2.gz BXUYVXJAQPYWAI-UTUOFQBUSA-N 2 2 270.377 -0.291 20 0 CBADLP C[C@@H](NC(=O)N1CC[NH2+][C@H](C)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000669538174 544752997 /nfs/dbraw/zinc/75/29/97/544752997.db2.gz BXUYVXJAQPYWAI-UTUOFQBUSA-N 2 2 270.377 -0.291 20 0 CBADLP C[C@@H](NC(=O)NCC(F)(F)C[NH3+])[C@H]1C[N@H+](C)CCO1 ZINC000669538516 544754149 /nfs/dbraw/zinc/75/41/49/544754149.db2.gz VCVVWMFXEPTEMM-RKDXNWHRSA-N 2 2 280.319 -0.401 20 0 CBADLP C[C@@H](NC(=O)NCC(F)(F)C[NH3+])[C@H]1C[N@@H+](C)CCO1 ZINC000669538516 544754152 /nfs/dbraw/zinc/75/41/52/544754152.db2.gz VCVVWMFXEPTEMM-RKDXNWHRSA-N 2 2 280.319 -0.401 20 0 CBADLP CC(=O)NCCC[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649685503 419924206 /nfs/dbraw/zinc/92/42/06/419924206.db2.gz BSIFSIRGCQOAEI-UHFFFAOYSA-N 2 2 270.377 -0.782 20 0 CBADLP CC(=O)NCCC[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649685503 419924212 /nfs/dbraw/zinc/92/42/12/419924212.db2.gz BSIFSIRGCQOAEI-UHFFFAOYSA-N 2 2 270.377 -0.782 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCC(=O)NC2(C)C)CC1 ZINC000670101800 544776642 /nfs/dbraw/zinc/77/66/42/544776642.db2.gz TZQBDGWAVGOING-LLVKDONJSA-N 2 2 282.388 -0.593 20 0 CBADLP COC[C@H]1C[C@@H](O)C[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000649764393 419932806 /nfs/dbraw/zinc/93/28/06/419932806.db2.gz ATUWBEUYMQEOPF-JHJVBQTASA-N 2 2 258.362 -0.477 20 0 CBADLP COC[C@H]1C[C@@H](O)C[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000649764393 419932811 /nfs/dbraw/zinc/93/28/11/419932811.db2.gz ATUWBEUYMQEOPF-JHJVBQTASA-N 2 2 258.362 -0.477 20 0 CBADLP COC[C@H]1C[C@@H](O)C[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000649764393 419932813 /nfs/dbraw/zinc/93/28/13/419932813.db2.gz ATUWBEUYMQEOPF-JHJVBQTASA-N 2 2 258.362 -0.477 20 0 CBADLP COC[C@H]1C[C@@H](O)C[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000649764393 419932818 /nfs/dbraw/zinc/93/28/18/419932818.db2.gz ATUWBEUYMQEOPF-JHJVBQTASA-N 2 2 258.362 -0.477 20 0 CBADLP C[NH+](C)CCN1CC[N@@H+]([C@@H]2CCCOC2)CC1=O ZINC000649685564 419926145 /nfs/dbraw/zinc/92/61/45/419926145.db2.gz DSNHDFCVFJKNIF-GFCCVEGCSA-N 2 2 255.362 -0.129 20 0 CBADLP C[NH+](C)CCN1CC[N@H+]([C@@H]2CCCOC2)CC1=O ZINC000649685564 419926154 /nfs/dbraw/zinc/92/61/54/419926154.db2.gz DSNHDFCVFJKNIF-GFCCVEGCSA-N 2 2 255.362 -0.129 20 0 CBADLP C[N@@H+]1CCC[C@@H](NC(=O)C(=O)NCCCn2cc[nH+]c2)C1 ZINC000670479291 544795194 /nfs/dbraw/zinc/79/51/94/544795194.db2.gz CFHQOEVRRLDKCI-GFCCVEGCSA-N 2 2 293.371 -0.400 20 0 CBADLP C[N@H+]1CCC[C@@H](NC(=O)C(=O)NCCCn2cc[nH+]c2)C1 ZINC000670479291 544795200 /nfs/dbraw/zinc/79/52/00/544795200.db2.gz CFHQOEVRRLDKCI-GFCCVEGCSA-N 2 2 293.371 -0.400 20 0 CBADLP C[NH+](C)CCN1CC[N@H+](C[C@H]2COCCO2)CC1=O ZINC000649685230 419926717 /nfs/dbraw/zinc/92/67/17/419926717.db2.gz SUKDASGUCXIIDY-LBPRGKRZSA-N 2 2 271.361 -0.892 20 0 CBADLP C[NH+](C)CCN1CC[N@@H+](C[C@H]2COCCO2)CC1=O ZINC000649685230 419926723 /nfs/dbraw/zinc/92/67/23/419926723.db2.gz SUKDASGUCXIIDY-LBPRGKRZSA-N 2 2 271.361 -0.892 20 0 CBADLP C[C@@H](C(=O)N[C@@H]1CCc2c[nH+]cn2C1)N1CC[NH+](C)CC1 ZINC000672147444 544840737 /nfs/dbraw/zinc/84/07/37/544840737.db2.gz NMECJGJAFUDUQQ-QWHCGFSZSA-N 2 2 291.399 -0.050 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000672154251 544840991 /nfs/dbraw/zinc/84/09/91/544840991.db2.gz HHCUXMFOJHALQR-JQWIXIFHSA-N 2 2 264.329 -0.355 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000672154251 544840994 /nfs/dbraw/zinc/84/09/94/544840994.db2.gz HHCUXMFOJHALQR-JQWIXIFHSA-N 2 2 264.329 -0.355 20 0 CBADLP C[C@@H](C(=O)N[C@H]1CCc2c[nH+]cn2C1)N1CC[NH+](C)CC1 ZINC000672147445 544841171 /nfs/dbraw/zinc/84/11/71/544841171.db2.gz NMECJGJAFUDUQQ-STQMWFEESA-N 2 2 291.399 -0.050 20 0 CBADLP CC[N@@H+]1CCN(C(=O)CN2CC[NH+](C)CC2)[C@H](C)C1 ZINC000672189655 544842727 /nfs/dbraw/zinc/84/27/27/544842727.db2.gz IKQUAJFXBAALDV-CYBMUJFWSA-N 2 2 268.405 -0.214 20 0 CBADLP CC[N@H+]1CCN(C(=O)CN2CC[NH+](C)CC2)[C@H](C)C1 ZINC000672189655 544842732 /nfs/dbraw/zinc/84/27/32/544842732.db2.gz IKQUAJFXBAALDV-CYBMUJFWSA-N 2 2 268.405 -0.214 20 0 CBADLP O=C1CC[C@@H](C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)N1 ZINC000665272719 419937211 /nfs/dbraw/zinc/93/72/11/419937211.db2.gz JRJUEALHVABCBJ-LOWVWBTDSA-N 2 2 253.346 -0.378 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000359307696 419956030 /nfs/dbraw/zinc/95/60/30/419956030.db2.gz NYLNLXSQCBIMLC-IHRRRGAJSA-N 3 2 280.416 -0.310 20 0 CBADLP O=C(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)NC1CC[NH+](C2CC2)CC1 ZINC000359299594 419957230 /nfs/dbraw/zinc/95/72/30/419957230.db2.gz GMGQQCLRNDUXJW-STQMWFEESA-N 3 2 292.427 -0.119 20 0 CBADLP C[C@H](C(=O)NC[C@H]1CCCO1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359295840 419957546 /nfs/dbraw/zinc/95/75/46/419957546.db2.gz XQRUYHCLSQYLSJ-FVCCEPFGSA-N 2 2 267.373 -0.179 20 0 CBADLP C[C@H](C(=O)NC[C@H]1CCCO1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359295840 419957549 /nfs/dbraw/zinc/95/75/49/419957549.db2.gz XQRUYHCLSQYLSJ-FVCCEPFGSA-N 2 2 267.373 -0.179 20 0 CBADLP C[C@@H](C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)[NH+]1CCOCC1 ZINC000359427761 419963386 /nfs/dbraw/zinc/96/33/86/419963386.db2.gz GQFUPLXHRSPICK-SDDRHHMPSA-N 2 2 253.346 -0.615 20 0 CBADLP C[C@H](C(=O)N1C[C@H]2C[NH2+]C[C@@H]2C1)[NH+]1CCOCC1 ZINC000359427760 419963958 /nfs/dbraw/zinc/96/39/58/419963958.db2.gz GQFUPLXHRSPICK-IJLUTSLNSA-N 2 2 253.346 -0.615 20 0 CBADLP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CSC[NH2+]2)C1 ZINC000360168070 420007272 /nfs/dbraw/zinc/00/72/72/420007272.db2.gz BFHDWGWILXEPML-UWVGGRQHSA-N 2 2 259.375 -0.514 20 0 CBADLP COCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CSC[NH2+]2)C1 ZINC000360168070 420007275 /nfs/dbraw/zinc/00/72/75/420007275.db2.gz BFHDWGWILXEPML-UWVGGRQHSA-N 2 2 259.375 -0.514 20 0 CBADLP COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CSC[NH2+]2)C1 ZINC000360168102 420008519 /nfs/dbraw/zinc/00/85/19/420008519.db2.gz BFHDWGWILXEPML-ZJUUUORDSA-N 2 2 259.375 -0.514 20 0 CBADLP COCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CSC[NH2+]2)C1 ZINC000360168102 420008522 /nfs/dbraw/zinc/00/85/22/420008522.db2.gz BFHDWGWILXEPML-ZJUUUORDSA-N 2 2 259.375 -0.514 20 0 CBADLP C[NH+](C)C[C@](C)(O)CNC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000360488925 420018273 /nfs/dbraw/zinc/01/82/73/420018273.db2.gz FHBBXTQZIKVRRB-QMTHXVAHSA-N 2 2 295.387 -0.121 20 0 CBADLP C[NH+](C)C[C@](C)(O)CNC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000360488925 420018278 /nfs/dbraw/zinc/01/82/78/420018278.db2.gz FHBBXTQZIKVRRB-QMTHXVAHSA-N 2 2 295.387 -0.121 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@H](C)[NH+](CCO)[C@@H](C)C2)C1 ZINC000364593412 420044598 /nfs/dbraw/zinc/04/45/98/420044598.db2.gz WROLJDDXWDWBTE-IHRRRGAJSA-N 2 2 299.415 -0.379 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)N2C[C@H](C)[NH+](CCO)[C@@H](C)C2)C1 ZINC000364593412 420044602 /nfs/dbraw/zinc/04/46/02/420044602.db2.gz WROLJDDXWDWBTE-IHRRRGAJSA-N 2 2 299.415 -0.379 20 0 CBADLP CCO[C@@H]1CN(C(=O)NCCn2cc[nH+]c2)C[C@H]1C[NH3+] ZINC000652119946 420048933 /nfs/dbraw/zinc/04/89/33/420048933.db2.gz KWSRLSGKMJHJIS-VXGBXAGGSA-N 2 2 281.360 -0.112 20 0 CBADLP CCO[C@@H]1CN(C(=O)NCCc2cn(C)c[nH+]2)C[C@H]1C[NH3+] ZINC000652199051 420050034 /nfs/dbraw/zinc/05/00/34/420050034.db2.gz BPCLKIJEBGZDOC-DGCLKSJQSA-N 2 2 295.387 -0.032 20 0 CBADLP C[N@@H+]1CCO[C@@H](CNc2cc[nH+]c(N3CCOCC3)n2)C1 ZINC000364983862 420050713 /nfs/dbraw/zinc/05/07/13/420050713.db2.gz SDPSAGMQHJWTLY-LBPRGKRZSA-N 2 2 293.371 0.056 20 0 CBADLP C[N@H+]1CCO[C@@H](CNc2cc[nH+]c(N3CCOCC3)n2)C1 ZINC000364983862 420050717 /nfs/dbraw/zinc/05/07/17/420050717.db2.gz SDPSAGMQHJWTLY-LBPRGKRZSA-N 2 2 293.371 0.056 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[NH+]3CCC2CC3)C1 ZINC000365040780 420053144 /nfs/dbraw/zinc/05/31/44/420053144.db2.gz ZZYUDJGPHUOLRY-LBPRGKRZSA-N 2 2 253.346 -0.376 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N2CC[NH+]3CCC2CC3)C1 ZINC000365040780 420053148 /nfs/dbraw/zinc/05/31/48/420053148.db2.gz ZZYUDJGPHUOLRY-LBPRGKRZSA-N 2 2 253.346 -0.376 20 0 CBADLP CCOCC[N@@H+]1CCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)C[C@@H]1C ZINC000365094447 420055084 /nfs/dbraw/zinc/05/50/84/420055084.db2.gz WDIKMDGJUCCDQU-YNEHKIRRSA-N 2 2 285.388 -0.722 20 0 CBADLP CCOCC[N@H+]1CCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)C[C@@H]1C ZINC000365094447 420055088 /nfs/dbraw/zinc/05/50/88/420055088.db2.gz WDIKMDGJUCCDQU-YNEHKIRRSA-N 2 2 285.388 -0.722 20 0 CBADLP CCc1nc(CN2CC[NH+](C[C@@](C)(O)C[NH2+]C)CC2)no1 ZINC000652339395 420056776 /nfs/dbraw/zinc/05/67/76/420056776.db2.gz SBCUUYJALNTSMQ-AWEZNQCLSA-N 2 2 297.403 -0.280 20 0 CBADLP CCc1nc(CN2CC[NH+](C[C@](C)(O)C[NH2+]C)CC2)no1 ZINC000652339396 420057393 /nfs/dbraw/zinc/05/73/93/420057393.db2.gz SBCUUYJALNTSMQ-CQSZACIVSA-N 2 2 297.403 -0.280 20 0 CBADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000652338485 420057657 /nfs/dbraw/zinc/05/76/57/420057657.db2.gz IRCYTTVFDMPABV-AVGNSLFASA-N 2 2 258.362 -0.163 20 0 CBADLP C[NH2+]C[C@](C)(O)C[N@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000652338485 420057661 /nfs/dbraw/zinc/05/76/61/420057661.db2.gz IRCYTTVFDMPABV-AVGNSLFASA-N 2 2 258.362 -0.163 20 0 CBADLP C[C@H](NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1)C(=O)N(C)C ZINC000652351961 420058949 /nfs/dbraw/zinc/05/89/49/420058949.db2.gz OARUSRYTRQSOJY-HUBLWGQQSA-N 2 2 296.415 -0.360 20 0 CBADLP C[C@H](NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1)C(=O)N(C)C ZINC000652351961 420058951 /nfs/dbraw/zinc/05/89/51/420058951.db2.gz OARUSRYTRQSOJY-HUBLWGQQSA-N 2 2 296.415 -0.360 20 0 CBADLP COC(=O)CNC(=O)C[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365629923 420063104 /nfs/dbraw/zinc/06/31/04/420063104.db2.gz NXFGXRGWEBVCDX-LLVKDONJSA-N 2 2 294.355 -0.111 20 0 CBADLP COC(=O)CNC(=O)C[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365629923 420063107 /nfs/dbraw/zinc/06/31/07/420063107.db2.gz NXFGXRGWEBVCDX-LLVKDONJSA-N 2 2 294.355 -0.111 20 0 CBADLP COC(=O)CNC(=O)C[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365629926 420063428 /nfs/dbraw/zinc/06/34/28/420063428.db2.gz NXFGXRGWEBVCDX-NSHDSACASA-N 2 2 294.355 -0.111 20 0 CBADLP COC(=O)CNC(=O)C[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365629926 420063433 /nfs/dbraw/zinc/06/34/33/420063433.db2.gz NXFGXRGWEBVCDX-NSHDSACASA-N 2 2 294.355 -0.111 20 0 CBADLP CC[N@@H+]1CCOC[C@@H]1C(=O)NCC[NH+](C)CCCOC ZINC000367295503 420102283 /nfs/dbraw/zinc/10/22/83/420102283.db2.gz KSJGJCUWEWRHGZ-CYBMUJFWSA-N 2 2 287.404 -0.208 20 0 CBADLP CC[N@H+]1CCOC[C@@H]1C(=O)NCC[NH+](C)CCCOC ZINC000367295503 420102287 /nfs/dbraw/zinc/10/22/87/420102287.db2.gz KSJGJCUWEWRHGZ-CYBMUJFWSA-N 2 2 287.404 -0.208 20 0 CBADLP CC[NH+]1CCOC[C@@H]1C(=O)NCC[N@H+](C)CCCOC ZINC000367295503 420102290 /nfs/dbraw/zinc/10/22/90/420102290.db2.gz KSJGJCUWEWRHGZ-CYBMUJFWSA-N 2 2 287.404 -0.208 20 0 CBADLP COCCOCC[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000652998001 420103818 /nfs/dbraw/zinc/10/38/18/420103818.db2.gz VHJONZFUIGGLLO-CQSZACIVSA-N 2 2 299.415 -0.255 20 0 CBADLP COCCOCC[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000652998001 420103821 /nfs/dbraw/zinc/10/38/21/420103821.db2.gz VHJONZFUIGGLLO-CQSZACIVSA-N 2 2 299.415 -0.255 20 0 CBADLP C[C@@H](CC(=O)N[C@@H](CO)CN1CCOCC1)n1cc[nH+]c1 ZINC000653028703 420106630 /nfs/dbraw/zinc/10/66/30/420106630.db2.gz GPHVTBIPHIUJSX-QWHCGFSZSA-N 2 2 296.371 -0.357 20 0 CBADLP C[C@@H](CC(=O)N[C@@H](CO)C[NH+]1CCOCC1)n1cc[nH+]c1 ZINC000653028703 420106634 /nfs/dbraw/zinc/10/66/34/420106634.db2.gz GPHVTBIPHIUJSX-QWHCGFSZSA-N 2 2 296.371 -0.357 20 0 CBADLP CCCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)[C@@H]1CC[NH2+]C1 ZINC000653049145 420110303 /nfs/dbraw/zinc/11/03/03/420110303.db2.gz WEWLSSCOJLKSKT-NEPJUHHUSA-N 3 2 256.394 -0.134 20 0 CBADLP CCn1ccc(CC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])n1 ZINC000653055115 420111283 /nfs/dbraw/zinc/11/12/83/420111283.db2.gz OCPZOPMTFFBFEI-LBPRGKRZSA-N 2 2 265.361 -0.453 20 0 CBADLP CCn1ccc(CC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])n1 ZINC000653055115 420111287 /nfs/dbraw/zinc/11/12/87/420111287.db2.gz OCPZOPMTFFBFEI-LBPRGKRZSA-N 2 2 265.361 -0.453 20 0 CBADLP C[N@@H+]1CCN(C(=O)[C@H]2CCC[NH2+]CC2)[C@H](C[NH3+])C1 ZINC000653055205 420112017 /nfs/dbraw/zinc/11/20/17/420112017.db2.gz VMXXNIVBMMNXBO-NWDGAFQWSA-N 3 2 254.378 -0.523 20 0 CBADLP C[N@H+]1CCN(C(=O)[C@H]2CCC[NH2+]CC2)[C@H](C[NH3+])C1 ZINC000653055205 420112020 /nfs/dbraw/zinc/11/20/20/420112020.db2.gz VMXXNIVBMMNXBO-NWDGAFQWSA-N 3 2 254.378 -0.523 20 0 CBADLP COCCN(CCOC)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653056348 420112090 /nfs/dbraw/zinc/11/20/90/420112090.db2.gz BFVQRGAKAIWSKQ-NSHDSACASA-N 2 2 261.366 -0.613 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N(CC(N)=O)C1CCCC1 ZINC000653067140 420112685 /nfs/dbraw/zinc/11/26/85/420112685.db2.gz QQMUZIOCWPNNBW-LLVKDONJSA-N 2 2 270.377 -0.478 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NC1CC1 ZINC000653071933 420113036 /nfs/dbraw/zinc/11/30/36/420113036.db2.gz XTKQMIXYZWEMGA-NEPJUHHUSA-N 2 2 282.388 -0.465 20 0 CBADLP CC[C@H](C)NC(=O)CCNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653074396 420113229 /nfs/dbraw/zinc/11/32/29/420113229.db2.gz GQGIVQOEUUSJCY-QWRGUYRKSA-N 2 2 272.393 -0.314 20 0 CBADLP C[C@@H](CNC(=O)[C@H]([NH3+])CC[NH+](C)C)Cn1cccn1 ZINC000653073248 420113291 /nfs/dbraw/zinc/11/32/91/420113291.db2.gz WYHUKKOLKGMWMC-NWDGAFQWSA-N 2 2 267.377 -0.086 20 0 CBADLP CC[C@H]1C(=O)NCCN1C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653086656 420115296 /nfs/dbraw/zinc/11/52/96/420115296.db2.gz YUBNJVSDZUQTQV-UWVGGRQHSA-N 2 2 256.350 -0.998 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000653092346 420115340 /nfs/dbraw/zinc/11/53/40/420115340.db2.gz ZRKZFOMLJVKILB-ONGXEEELSA-N 2 2 268.361 -0.855 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000653105755 420116018 /nfs/dbraw/zinc/11/60/18/420116018.db2.gz IOVMZCTZOZGLFZ-KGLIPLIRSA-N 3 2 298.431 -0.411 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000653110690 420116883 /nfs/dbraw/zinc/11/68/83/420116883.db2.gz QUAMFLWHUGLTBN-DGCLKSJQSA-N 3 2 288.461 -0.181 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000653105754 420117641 /nfs/dbraw/zinc/11/76/41/420117641.db2.gz IOVMZCTZOZGLFZ-KBPBESRZSA-N 3 2 298.431 -0.411 20 0 CBADLP C[C@@H]1CC[N@H+](CCNC(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000653121984 420118923 /nfs/dbraw/zinc/11/89/23/420118923.db2.gz HYTOAUBXCLZZLJ-VXGBXAGGSA-N 3 2 256.394 -0.277 20 0 CBADLP C[C@@H]1CC[N@@H+](CCNC(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000653121984 420118927 /nfs/dbraw/zinc/11/89/27/420118927.db2.gz HYTOAUBXCLZZLJ-VXGBXAGGSA-N 3 2 256.394 -0.277 20 0 CBADLP C[C@H](NC(=O)[C@]12C[NH2+]C[C@H]1COC2)[C@H](C)[NH+]1CCOCC1 ZINC000653117651 420120658 /nfs/dbraw/zinc/12/06/58/420120658.db2.gz SEGVBZGCAWDELT-ABHRYQDASA-N 2 2 297.399 -0.552 20 0 CBADLP C[C@@H](CNC(=O)[C@H]([NH3+])CC[NH+](C)C)C[NH+]1CCOCC1 ZINC000653114766 420120899 /nfs/dbraw/zinc/12/08/99/420120899.db2.gz WCDJVUIZGMBRAX-QWHCGFSZSA-N 3 2 286.420 -0.650 20 0 CBADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653139644 420121421 /nfs/dbraw/zinc/12/14/21/420121421.db2.gz PIJQSPAUHTZLBM-WYUUTHIRSA-N 3 2 256.394 -0.232 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCCC[C@H]1CC[NH3+] ZINC000653140362 420121640 /nfs/dbraw/zinc/12/16/40/420121640.db2.gz ZWIMJXCSALBDOB-RYUDHWBXSA-N 3 2 256.394 -0.005 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000653133758 420122236 /nfs/dbraw/zinc/12/22/36/420122236.db2.gz ZPGIDUVYLGZYEI-GRYCIOLGSA-N 3 2 254.378 -0.382 20 0 CBADLP Cc1[nH]c(=O)[nH]c(=O)c1NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653150296 420122819 /nfs/dbraw/zinc/12/28/19/420122819.db2.gz YDJSSEVXAQBXFR-ZETCQYMHSA-N 2 2 269.305 -0.586 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCOC[C@H]1C1CC1 ZINC000653151906 420122922 /nfs/dbraw/zinc/12/29/22/420122922.db2.gz XFXXWROPJQNPPD-NEPJUHHUSA-N 2 2 255.362 -0.097 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000653144422 420123456 /nfs/dbraw/zinc/12/34/56/420123456.db2.gz SKZLYXHRWOYISC-JQWIXIFHSA-N 3 2 260.357 -0.575 20 0 CBADLP C[C@H](CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)N1CCCCC1=O ZINC000653160534 420124478 /nfs/dbraw/zinc/12/44/78/420124478.db2.gz LZKKKZBQEWWPPX-NEPJUHHUSA-N 2 2 284.404 -0.217 20 0 CBADLP CC(C)CN1CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CC1=O ZINC000653152644 420124617 /nfs/dbraw/zinc/12/46/17/420124617.db2.gz UWIFJINNIVJFDF-LBPRGKRZSA-N 2 2 284.404 -0.408 20 0 CBADLP CCN1CCCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CC1=O ZINC000653156755 420124894 /nfs/dbraw/zinc/12/48/94/420124894.db2.gz KUASHDOMGRHRRD-LLVKDONJSA-N 2 2 270.377 -0.654 20 0 CBADLP C[C@H]1CCCN(C(=O)CN2CC[NH2+]CC2=O)[C@H]1CC[NH3+] ZINC000653233149 420127500 /nfs/dbraw/zinc/12/75/00/420127500.db2.gz RAOKWXVPIAQWLG-RYUDHWBXSA-N 2 2 282.388 -0.606 20 0 CBADLP C[C@@H]1CCCN(C(=O)CN2CC[NH2+]CC2=O)[C@H]1CC[NH3+] ZINC000653233147 420127598 /nfs/dbraw/zinc/12/75/98/420127598.db2.gz RAOKWXVPIAQWLG-NEPJUHHUSA-N 2 2 282.388 -0.606 20 0 CBADLP COCCOCC[NH+]1CCN(C(=O)[C@@H]([NH3+])C2CCC2)CC1 ZINC000653274243 420133902 /nfs/dbraw/zinc/13/39/02/420133902.db2.gz AXBIOQZVGNYZOZ-AWEZNQCLSA-N 2 2 299.415 -0.079 20 0 CBADLP COCCOCC[NH+]1CCN(C(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000653275558 420133956 /nfs/dbraw/zinc/13/39/56/420133956.db2.gz IBTYNALRHCBUJA-ZDUSSCGKSA-N 2 2 285.388 -0.454 20 0 CBADLP COCCOCC[NH+]1CCN(C(=O)[C@H]2CC[NH2+][C@H]2C)CC1 ZINC000653275856 420134129 /nfs/dbraw/zinc/13/41/29/420134129.db2.gz PGDKRNUNIOTVTA-KBPBESRZSA-N 2 2 299.415 -0.208 20 0 CBADLP O=C(NCC[NH+]1CCOCC1)N1CC[NH+]2CCC1CC2 ZINC000368495520 420134781 /nfs/dbraw/zinc/13/47/81/420134781.db2.gz KBSLTSICPBZHTI-UHFFFAOYSA-N 2 2 282.388 -0.192 20 0 CBADLP O=C(NCCCn1cc[nH+]c1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000368573052 420138145 /nfs/dbraw/zinc/13/81/45/420138145.db2.gz QJZZPVCJWXQOJU-ZDUSSCGKSA-N 2 2 277.372 -0.221 20 0 CBADLP O=C(NCCCn1cc[nH+]c1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000368573052 420138149 /nfs/dbraw/zinc/13/81/49/420138149.db2.gz QJZZPVCJWXQOJU-ZDUSSCGKSA-N 2 2 277.372 -0.221 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652690953 420071945 /nfs/dbraw/zinc/07/19/45/420071945.db2.gz RENUIWYRAPUIHK-NSHDSACASA-N 2 2 293.371 -0.367 20 0 CBADLP COC(=O)[C@H]1C[C@H](NC(=O)C[C@@H]2CCC[NH2+]2)C[NH2+]1 ZINC000366151864 420077302 /nfs/dbraw/zinc/07/73/02/420077302.db2.gz OJHRAWPBVOQHSM-LPEHRKFASA-N 2 2 255.318 -0.852 20 0 CBADLP CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+][C@@H](C(=O)OC)C1 ZINC000366167789 420078494 /nfs/dbraw/zinc/07/84/94/420078494.db2.gz CUGRCHDKVSGAEH-RGOKHQFPSA-N 2 2 257.334 -0.621 20 0 CBADLP C[NH+](C)CCN1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1=O ZINC000652734387 420078771 /nfs/dbraw/zinc/07/87/71/420078771.db2.gz ISIVRVOPAKVNIS-UHFFFAOYSA-N 2 2 293.371 -0.425 20 0 CBADLP C[NH+](C)CCN1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1=O ZINC000652734387 420078775 /nfs/dbraw/zinc/07/87/75/420078775.db2.gz ISIVRVOPAKVNIS-UHFFFAOYSA-N 2 2 293.371 -0.425 20 0 CBADLP C[NH+](C)CC(=O)NC[C@@]1([NH+]2CCOCC2)CCCOC1 ZINC000366267512 420080773 /nfs/dbraw/zinc/08/07/73/420080773.db2.gz JZZZHAZYHAYIAN-AWEZNQCLSA-N 2 2 285.388 -0.454 20 0 CBADLP NC(=O)C1([NH+]2CCN(C(=O)C3([NH3+])CC3)CC2)CCCC1 ZINC000366330015 420082639 /nfs/dbraw/zinc/08/26/39/420082639.db2.gz BLCVQGHKFHUBQV-UHFFFAOYSA-N 2 2 280.372 -0.580 20 0 CBADLP C[NH2+]CCCC(=O)N1CC[NH+](C2(C(N)=O)CCCC2)CC1 ZINC000366335784 420082959 /nfs/dbraw/zinc/08/29/59/420082959.db2.gz WHMBAZCHMQVZRO-UHFFFAOYSA-N 2 2 296.415 -0.072 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCCNc1cc[nH+]cc1 ZINC000653346096 420141680 /nfs/dbraw/zinc/14/16/80/420141680.db2.gz ILOFVHSOFWYBGY-GFCCVEGCSA-N 3 2 265.361 -0.689 20 0 CBADLP C[C@@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)C[C@]2(CCOC2)O1 ZINC000366575706 420089661 /nfs/dbraw/zinc/08/96/61/420089661.db2.gz QYNDJPRPFRJGCS-HIFRSBDPSA-N 2 2 297.399 -0.360 20 0 CBADLP C[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)C[C@]2(CCOC2)O1 ZINC000366575706 420089664 /nfs/dbraw/zinc/08/96/64/420089664.db2.gz QYNDJPRPFRJGCS-HIFRSBDPSA-N 2 2 297.399 -0.360 20 0 CBADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N(C)CC[NH+]2CCOCC2)C1 ZINC000366732835 420092638 /nfs/dbraw/zinc/09/26/38/420092638.db2.gz AFMKDBXINBIJIY-CQSZACIVSA-N 2 2 299.415 -0.114 20 0 CBADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N(C)CC[NH+]2CCOCC2)C1 ZINC000366732835 420092641 /nfs/dbraw/zinc/09/26/41/420092641.db2.gz AFMKDBXINBIJIY-CQSZACIVSA-N 2 2 299.415 -0.114 20 0 CBADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000652888379 420092646 /nfs/dbraw/zinc/09/26/46/420092646.db2.gz FPIBFUOSSWFLBM-DGCLKSJQSA-N 2 2 290.367 -0.277 20 0 CBADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000652888379 420092648 /nfs/dbraw/zinc/09/26/48/420092648.db2.gz FPIBFUOSSWFLBM-DGCLKSJQSA-N 2 2 290.367 -0.277 20 0 CBADLP O=C(NC[C@]1([NH+]2CCOCC2)CCCOC1)[C@@H]1CC[NH2+]C1 ZINC000370770135 420184030 /nfs/dbraw/zinc/18/40/30/420184030.db2.gz CDDQWBVXAVBJNB-UKRRQHHQSA-N 2 2 297.399 -0.407 20 0 CBADLP O=C(NC[C@@]1([NH+]2CCOCC2)CCCOC1)[C@H]1CC[NH2+]C1 ZINC000370770136 420185286 /nfs/dbraw/zinc/18/52/86/420185286.db2.gz CDDQWBVXAVBJNB-ZFWWWQNUSA-N 2 2 297.399 -0.407 20 0 CBADLP C[N@H+](C[C@H](O)C[NH2+]C[C@@H](O)C(F)(F)F)C1CC1 ZINC000383990744 420201290 /nfs/dbraw/zinc/20/12/90/420201290.db2.gz NDBAMWWXNGZRLZ-RKDXNWHRSA-N 2 2 256.268 -0.046 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH2+]C[C@@H](O)C(F)(F)F)C1CC1 ZINC000383990744 420201295 /nfs/dbraw/zinc/20/12/95/420201295.db2.gz NDBAMWWXNGZRLZ-RKDXNWHRSA-N 2 2 256.268 -0.046 20 0 CBADLP Cc1nc(NCCC[NH+]2CCOCC2)nc(N)[nH+]1 ZINC000385076628 420201725 /nfs/dbraw/zinc/20/17/25/420201725.db2.gz VLQPONRXKNEGDI-UHFFFAOYSA-N 2 2 252.322 -0.682 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000653478399 420144821 /nfs/dbraw/zinc/14/48/21/420144821.db2.gz BEXSVVUWNSQMEK-RWMBFGLXSA-N 2 2 293.371 -0.268 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000653478399 420144824 /nfs/dbraw/zinc/14/48/24/420144824.db2.gz BEXSVVUWNSQMEK-RWMBFGLXSA-N 2 2 293.371 -0.268 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000653478398 420145768 /nfs/dbraw/zinc/14/57/68/420145768.db2.gz BEXSVVUWNSQMEK-FRRDWIJNSA-N 2 2 293.371 -0.268 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000653478398 420145771 /nfs/dbraw/zinc/14/57/71/420145771.db2.gz BEXSVVUWNSQMEK-FRRDWIJNSA-N 2 2 293.371 -0.268 20 0 CBADLP CC(C)NC(=O)C[N@@H+]1CCCN(C(=O)C[NH+](C)C)CC1 ZINC000368927379 420147663 /nfs/dbraw/zinc/14/76/63/420147663.db2.gz RMBHHHMXLKFLGS-UHFFFAOYSA-N 2 2 284.404 -0.393 20 0 CBADLP CC(C)NC(=O)C[N@H+]1CCCN(C(=O)C[NH+](C)C)CC1 ZINC000368927379 420147666 /nfs/dbraw/zinc/14/76/66/420147666.db2.gz RMBHHHMXLKFLGS-UHFFFAOYSA-N 2 2 284.404 -0.393 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)CC1 ZINC000368974990 420150026 /nfs/dbraw/zinc/15/00/26/420150026.db2.gz PKUTWDCBJKKZHN-OUCADQQQSA-N 2 2 294.399 -0.654 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)CC1 ZINC000368974990 420150030 /nfs/dbraw/zinc/15/00/30/420150030.db2.gz PKUTWDCBJKKZHN-OUCADQQQSA-N 2 2 294.399 -0.654 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](n2cncn2)C1 ZINC000653623819 420151522 /nfs/dbraw/zinc/15/15/22/420151522.db2.gz OLXBVYRNWCPOKQ-STQMWFEESA-N 2 2 283.376 -0.536 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](n2cncn2)C1 ZINC000653623819 420151525 /nfs/dbraw/zinc/15/15/25/420151525.db2.gz OLXBVYRNWCPOKQ-STQMWFEESA-N 2 2 283.376 -0.536 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000653623819 420151530 /nfs/dbraw/zinc/15/15/30/420151530.db2.gz OLXBVYRNWCPOKQ-STQMWFEESA-N 2 2 283.376 -0.536 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCNC(=O)C[C@@H]1C ZINC000653593717 420152310 /nfs/dbraw/zinc/15/23/10/420152310.db2.gz MDICGDYPFUNMNX-RYUDHWBXSA-N 2 2 273.377 -0.864 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCNC(=O)C[C@@H]1C ZINC000653593717 420152312 /nfs/dbraw/zinc/15/23/12/420152312.db2.gz MDICGDYPFUNMNX-RYUDHWBXSA-N 2 2 273.377 -0.864 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCNC(=O)C[C@@H]1C ZINC000653593717 420152316 /nfs/dbraw/zinc/15/23/16/420152316.db2.gz MDICGDYPFUNMNX-RYUDHWBXSA-N 2 2 273.377 -0.864 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](n2cncn2)C1 ZINC000653623817 420153668 /nfs/dbraw/zinc/15/36/68/420153668.db2.gz OLXBVYRNWCPOKQ-QWHCGFSZSA-N 2 2 283.376 -0.536 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](n2cncn2)C1 ZINC000653623817 420153670 /nfs/dbraw/zinc/15/36/70/420153670.db2.gz OLXBVYRNWCPOKQ-QWHCGFSZSA-N 2 2 283.376 -0.536 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000653623817 420153671 /nfs/dbraw/zinc/15/36/71/420153671.db2.gz OLXBVYRNWCPOKQ-QWHCGFSZSA-N 2 2 283.376 -0.536 20 0 CBADLP CNC(=O)CCC[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000653588282 420153716 /nfs/dbraw/zinc/15/37/16/420153716.db2.gz NKEOZNZKQOWVBO-ZDUSSCGKSA-N 2 2 296.415 -0.073 20 0 CBADLP CNC(=O)CCC[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000653588282 420153718 /nfs/dbraw/zinc/15/37/18/420153718.db2.gz NKEOZNZKQOWVBO-ZDUSSCGKSA-N 2 2 296.415 -0.073 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C[C@@H](C)O)C1CC1 ZINC000653903011 420172311 /nfs/dbraw/zinc/17/23/11/420172311.db2.gz CCXJDIKIJGPURG-DGCLKSJQSA-N 2 2 260.378 -0.229 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C[C@@H](C)O)C1CC1 ZINC000653903011 420172316 /nfs/dbraw/zinc/17/23/16/420172316.db2.gz CCXJDIKIJGPURG-DGCLKSJQSA-N 2 2 260.378 -0.229 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C[C@@H](C)O)C1CC1 ZINC000653903011 420172320 /nfs/dbraw/zinc/17/23/20/420172320.db2.gz CCXJDIKIJGPURG-DGCLKSJQSA-N 2 2 260.378 -0.229 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C[C@@H](C)O)C1CC1 ZINC000653903011 420172322 /nfs/dbraw/zinc/17/23/22/420172322.db2.gz CCXJDIKIJGPURG-DGCLKSJQSA-N 2 2 260.378 -0.229 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(CO)(OC)CC1 ZINC000401779746 420222829 /nfs/dbraw/zinc/22/28/29/420222829.db2.gz VQNGVAXMDSONIA-ZDUSSCGKSA-N 2 2 290.404 -0.601 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC(CO)(OC)CC1 ZINC000401779746 420222833 /nfs/dbraw/zinc/22/28/33/420222833.db2.gz VQNGVAXMDSONIA-ZDUSSCGKSA-N 2 2 290.404 -0.601 20 0 CBADLP CCO[C@@H]1C[N@H+](CC(=O)N2C[C@H](C)O[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000405559206 420227765 /nfs/dbraw/zinc/22/77/65/420227765.db2.gz CPOCVLZVVQUJBO-IGQOVBAYSA-N 2 2 299.415 -0.082 20 0 CBADLP CCO[C@@H]1C[N@@H+](CC(=O)N2C[C@H](C)O[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000405559206 420227769 /nfs/dbraw/zinc/22/77/69/420227769.db2.gz CPOCVLZVVQUJBO-IGQOVBAYSA-N 2 2 299.415 -0.082 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)N2CC[NH+](C[C@H](C)O)[C@H](C)C2)[N@H+](C)C1 ZINC000408037530 420229566 /nfs/dbraw/zinc/22/95/66/420229566.db2.gz AQXPKQJWLSUPQE-RFGFWPKPSA-N 2 2 299.415 -0.381 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)N2CC[NH+](C[C@H](C)O)[C@H](C)C2)[N@@H+](C)C1 ZINC000408037530 420229569 /nfs/dbraw/zinc/22/95/69/420229569.db2.gz AQXPKQJWLSUPQE-RFGFWPKPSA-N 2 2 299.415 -0.381 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)[NH+](C)C1 ZINC000408037530 420229571 /nfs/dbraw/zinc/22/95/71/420229571.db2.gz AQXPKQJWLSUPQE-RFGFWPKPSA-N 2 2 299.415 -0.381 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)[NH+](C)C1 ZINC000408037530 420229574 /nfs/dbraw/zinc/22/95/74/420229574.db2.gz AQXPKQJWLSUPQE-RFGFWPKPSA-N 2 2 299.415 -0.381 20 0 CBADLP O=C(NCCCN1CC[NH2+]CC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000655411900 420245662 /nfs/dbraw/zinc/24/56/62/420245662.db2.gz ZGDNWOOKTDJKAS-CYBMUJFWSA-N 2 2 291.399 -0.143 20 0 CBADLP O=C(NCCN1CC[NH2+]CC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000655413154 420247058 /nfs/dbraw/zinc/24/70/58/420247058.db2.gz MZUGHHLKTMOPTB-GFCCVEGCSA-N 2 2 277.372 -0.533 20 0 CBADLP C[NH2+][C@@H](C)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000655448843 420248985 /nfs/dbraw/zinc/24/89/85/420248985.db2.gz ZLFLNIMCUHWQSQ-RYUDHWBXSA-N 3 2 268.405 -0.121 20 0 CBADLP C[NH2+][C@@H](C)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000655448843 420248991 /nfs/dbraw/zinc/24/89/91/420248991.db2.gz ZLFLNIMCUHWQSQ-RYUDHWBXSA-N 3 2 268.405 -0.121 20 0 CBADLP C[C@@H]1C[NH2+]CCN1c1cc(-n2cccn2)nc(N)[nH+]1 ZINC000420216763 420250198 /nfs/dbraw/zinc/25/01/98/420250198.db2.gz GPUXWAIAXGJOKE-SECBINFHSA-N 2 2 259.317 0.043 20 0 CBADLP O=C(NCC[NH+]1CCOCC1)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655442746 420250436 /nfs/dbraw/zinc/25/04/36/420250436.db2.gz ZIIMYWJQWFFYDB-TZMCWYRMSA-N 2 2 267.373 -0.176 20 0 CBADLP C[NH2+]C[C@H](C)CNc1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000420202043 420250388 /nfs/dbraw/zinc/25/03/88/420250388.db2.gz NTJYEBAWOMJUHD-VHSXEESVSA-N 2 2 253.350 0.537 20 0 CBADLP C[NH2+]C[C@H](C)CNc1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000420202043 420250391 /nfs/dbraw/zinc/25/03/91/420250391.db2.gz NTJYEBAWOMJUHD-VHSXEESVSA-N 2 2 253.350 0.537 20 0 CBADLP CC(C)c1nc(NC[C@H]2C[NH2+]CCN2C)nc(N(C)C)[nH+]1 ZINC000420278638 420252207 /nfs/dbraw/zinc/25/22/07/420252207.db2.gz RSRSUUXRGKSZTR-LLVKDONJSA-N 2 2 293.419 0.377 20 0 CBADLP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CCO1 ZINC000655453748 420252455 /nfs/dbraw/zinc/25/24/55/420252455.db2.gz QAMHRUCWHYDFRZ-GHMZBOCLSA-N 2 2 264.329 -0.368 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000422817460 420253576 /nfs/dbraw/zinc/25/35/76/420253576.db2.gz DCGFSTOAAMYHMF-TXEJJXNPSA-N 2 2 284.404 -0.348 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000422817460 420253581 /nfs/dbraw/zinc/25/35/81/420253581.db2.gz DCGFSTOAAMYHMF-TXEJJXNPSA-N 2 2 284.404 -0.348 20 0 CBADLP O=C(NC[C@@H]1C[NH2+]CCCO1)[C@H]1CCc2[nH+]ccn2C1 ZINC000655466186 420253754 /nfs/dbraw/zinc/25/37/54/420253754.db2.gz SAIMPUNROIZTHO-RYUDHWBXSA-N 2 2 278.356 -0.060 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@](C)(C[NH3+])C(C)C ZINC000422865702 420254033 /nfs/dbraw/zinc/25/40/33/420254033.db2.gz PIUPRQVVNDKASN-CQSZACIVSA-N 2 2 286.420 -0.068 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@](C)(C[NH3+])C(C)C ZINC000422865702 420254037 /nfs/dbraw/zinc/25/40/37/420254037.db2.gz PIUPRQVVNDKASN-CQSZACIVSA-N 2 2 286.420 -0.068 20 0 CBADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000430581132 420272608 /nfs/dbraw/zinc/27/26/08/420272608.db2.gz NWMOFHDEDHQMEV-RISCZKNCSA-N 2 2 284.404 -0.327 20 0 CBADLP CC(C)[C@@H]([NH3+])C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000430716560 420273000 /nfs/dbraw/zinc/27/30/00/420273000.db2.gz WINNPWCMCYFXLP-CYBMUJFWSA-N 2 2 295.387 0.137 20 0 CBADLP CN1CC[N@H+](C)[C@H](CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)C1 ZINC000655917324 420276073 /nfs/dbraw/zinc/27/60/73/420276073.db2.gz PMEUKCUXQKIKPM-BDAKNGLRSA-N 2 2 297.325 -0.579 20 0 CBADLP CN1CC[N@@H+](C)[C@H](CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)C1 ZINC000655917324 420276075 /nfs/dbraw/zinc/27/60/75/420276075.db2.gz PMEUKCUXQKIKPM-BDAKNGLRSA-N 2 2 297.325 -0.579 20 0 CBADLP Cn1ncc2c1nc(N[C@@H]1CCn3cc[nH+]c3C1)[nH+]c2N ZINC000436357513 420280833 /nfs/dbraw/zinc/28/08/33/420280833.db2.gz HWDLOSFEWRXJQU-MRVPVSSYSA-N 2 2 284.327 0.569 20 0 CBADLP Cc1noc(C[N@H+](C)CCC(=O)N2CC[NH2+]CC2)n1 ZINC000655949310 420283397 /nfs/dbraw/zinc/28/33/97/420283397.db2.gz STWRWATUNYLJCB-UHFFFAOYSA-N 2 2 267.333 -0.368 20 0 CBADLP Cc1noc(C[N@@H+](C)CCC(=O)N2CC[NH2+]CC2)n1 ZINC000655949310 420283400 /nfs/dbraw/zinc/28/34/00/420283400.db2.gz STWRWATUNYLJCB-UHFFFAOYSA-N 2 2 267.333 -0.368 20 0 CBADLP COCC1(CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])CC1 ZINC000655972284 420284665 /nfs/dbraw/zinc/28/46/65/420284665.db2.gz AMJJORJVFHLPNV-NSHDSACASA-N 2 2 270.377 -0.303 20 0 CBADLP COCC1(CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])CC1 ZINC000655972284 420284671 /nfs/dbraw/zinc/28/46/71/420284671.db2.gz AMJJORJVFHLPNV-NSHDSACASA-N 2 2 270.377 -0.303 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]([NH3+])C1CCC1 ZINC000399077132 420218380 /nfs/dbraw/zinc/21/83/80/420218380.db2.gz ODUCWVAPNKTUIW-PWSUYJOCSA-N 2 2 255.362 -0.049 20 0 CBADLP CC1(C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C[NH2+]C1 ZINC000399238285 420219414 /nfs/dbraw/zinc/21/94/14/420219414.db2.gz LOVMGRHNBRYHGH-LLVKDONJSA-N 2 2 253.346 -0.471 20 0 CBADLP [NH3+]C1(CNC(=O)NCC[NH+]2CCOCC2)CCCC1 ZINC000656473888 420311806 /nfs/dbraw/zinc/31/18/06/420311806.db2.gz KXBQGVZADNCKDE-UHFFFAOYSA-N 2 2 270.377 -0.111 20 0 CBADLP Cn1cc(C[N@H+](C)CC(C)(C)[NH3+])c(=O)n(C)c1=O ZINC000656783638 420322598 /nfs/dbraw/zinc/32/25/98/420322598.db2.gz SAIJWSBNTSRSCA-UHFFFAOYSA-N 2 2 254.334 -0.747 20 0 CBADLP Cn1cc(C[N@@H+](C)CC(C)(C)[NH3+])c(=O)n(C)c1=O ZINC000656783638 420322604 /nfs/dbraw/zinc/32/26/04/420322604.db2.gz SAIJWSBNTSRSCA-UHFFFAOYSA-N 2 2 254.334 -0.747 20 0 CBADLP CCOC(=O)NCCC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000496726326 420324999 /nfs/dbraw/zinc/32/49/99/420324999.db2.gz HNDNNABKZAOLOT-JTQLQIEISA-N 2 2 272.349 -0.776 20 0 CBADLP CCOC(=O)NCCC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000496726327 420325433 /nfs/dbraw/zinc/32/54/33/420325433.db2.gz HNDNNABKZAOLOT-SNVBAGLBSA-N 2 2 272.349 -0.776 20 0 CBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1COC(=O)N1 ZINC000497070338 420339057 /nfs/dbraw/zinc/33/90/57/420339057.db2.gz IEDJLAXAZGOWSI-LBPRGKRZSA-N 2 2 298.387 -0.421 20 0 CBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1COC(=O)N1 ZINC000497070338 420339060 /nfs/dbraw/zinc/33/90/60/420339060.db2.gz IEDJLAXAZGOWSI-LBPRGKRZSA-N 2 2 298.387 -0.421 20 0 CBADLP CO[C@H](C)CS(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000657091763 420341071 /nfs/dbraw/zinc/34/10/71/420341071.db2.gz PIYBQGIZXRDUSC-GFCCVEGCSA-N 2 2 295.449 -0.176 20 0 CBADLP CO[C@H](C)CS(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000657091763 420341075 /nfs/dbraw/zinc/34/10/75/420341075.db2.gz PIYBQGIZXRDUSC-GFCCVEGCSA-N 2 2 295.449 -0.176 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)[C@H]1CCOC1 ZINC000657093109 420341373 /nfs/dbraw/zinc/34/13/73/420341373.db2.gz YRHTXMITGMWBFJ-LBPRGKRZSA-N 2 2 293.433 -0.422 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)[C@H]1CCOC1 ZINC000657093109 420341378 /nfs/dbraw/zinc/34/13/78/420341378.db2.gz YRHTXMITGMWBFJ-LBPRGKRZSA-N 2 2 293.433 -0.422 20 0 CBADLP COCCS(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000657091153 420342206 /nfs/dbraw/zinc/34/22/06/420342206.db2.gz JNADELCSMRYOOF-UHFFFAOYSA-N 2 2 281.422 -0.564 20 0 CBADLP COCCS(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000657091153 420342211 /nfs/dbraw/zinc/34/22/11/420342211.db2.gz JNADELCSMRYOOF-UHFFFAOYSA-N 2 2 281.422 -0.564 20 0 CBADLP COC(=O)N1CC([NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000497246456 420343621 /nfs/dbraw/zinc/34/36/21/420343621.db2.gz PZQDPCXQUQFOBZ-NEPJUHHUSA-N 2 2 269.345 -0.206 20 0 CBADLP C[N@@H+]1CCN(C(=O)[C@H]2CC23CC[NH2+]CC3)[C@H](C[NH3+])C1 ZINC000516648846 420361891 /nfs/dbraw/zinc/36/18/91/420361891.db2.gz ATMZFJLGBBTDHT-VXGBXAGGSA-N 3 2 266.389 -0.523 20 0 CBADLP C[N@H+]1CCN(C(=O)[C@H]2CC23CC[NH2+]CC3)[C@H](C[NH3+])C1 ZINC000516648846 420361894 /nfs/dbraw/zinc/36/18/94/420361894.db2.gz ATMZFJLGBBTDHT-VXGBXAGGSA-N 3 2 266.389 -0.523 20 0 CBADLP Cc1nc(NCC[N@@H+]2CCCOCC2)nc(N(C)C)[nH+]1 ZINC000445672542 420294466 /nfs/dbraw/zinc/29/44/66/420294466.db2.gz BABIRCATSGDCMM-UHFFFAOYSA-N 2 2 280.376 0.380 20 0 CBADLP Cc1nc(NCC[N@H+]2CCCOCC2)nc(N(C)C)[nH+]1 ZINC000445672542 420294470 /nfs/dbraw/zinc/29/44/70/420294470.db2.gz BABIRCATSGDCMM-UHFFFAOYSA-N 2 2 280.376 0.380 20 0 CBADLP COc1c(N)[nH+]cnc1N1CC[NH+](C[C@@H](C)O)CC1 ZINC000656118013 420298296 /nfs/dbraw/zinc/29/82/96/420298296.db2.gz FQOZIESJBUFONH-SECBINFHSA-N 2 2 267.333 -0.430 20 0 CBADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH+]1CCN(c2nncn2C)CC1 ZINC000656199804 420301841 /nfs/dbraw/zinc/30/18/41/420301841.db2.gz DRZVVDAVJAYQRM-QWHCGFSZSA-N 2 2 294.403 -0.296 20 0 CBADLP COc1c(N)nc[nH+]c1N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000656202884 420302158 /nfs/dbraw/zinc/30/21/58/420302158.db2.gz BIZKBSRPZVGFAU-UHFFFAOYSA-N 2 2 294.359 -0.722 20 0 CBADLP O[C@@H]1C[C@H]2CN(c3cc(-n4cc[nH+]c4)ncn3)CC[N@@H+]2C1 ZINC000656219428 420304049 /nfs/dbraw/zinc/30/40/49/420304049.db2.gz XGLAVNNJEORXBR-NWDGAFQWSA-N 2 2 286.339 -0.083 20 0 CBADLP O[C@@H]1C[C@H]2CN(c3cc(-n4cc[nH+]c4)ncn3)CC[N@H+]2C1 ZINC000656219428 420304057 /nfs/dbraw/zinc/30/40/57/420304057.db2.gz XGLAVNNJEORXBR-NWDGAFQWSA-N 2 2 286.339 -0.083 20 0 CBADLP C[N@H+]1CC[C@@](O)(CNC(=O)C[NH+]2CC(C)(C)C2)C1 ZINC000517245624 420374244 /nfs/dbraw/zinc/37/42/44/420374244.db2.gz XAAJQNNHIJSPSS-CYBMUJFWSA-N 2 2 255.362 -0.489 20 0 CBADLP CSCC[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000518540383 420381479 /nfs/dbraw/zinc/38/14/79/420381479.db2.gz JXGMMAFHEKXWKG-GHMZBOCLSA-N 2 2 275.418 -0.096 20 0 CBADLP CSCC[C@@H]([NH3+])C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000518540383 420381483 /nfs/dbraw/zinc/38/14/83/420381483.db2.gz JXGMMAFHEKXWKG-GHMZBOCLSA-N 2 2 275.418 -0.096 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)CC[NH2+]C1CC1 ZINC000520253005 420391106 /nfs/dbraw/zinc/39/11/06/420391106.db2.gz NIZPPBGNGPQSGJ-NSHDSACASA-N 2 2 255.362 -0.035 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)CC[NH2+]C1CC1 ZINC000520253005 420391109 /nfs/dbraw/zinc/39/11/09/420391109.db2.gz NIZPPBGNGPQSGJ-NSHDSACASA-N 2 2 255.362 -0.035 20 0 CBADLP C(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)OCC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000674232085 544898398 /nfs/dbraw/zinc/89/83/98/544898398.db2.gz OLSGZWARNHIAMV-VGWMRTNUSA-N 4 2 294.443 -0.695 20 0 CBADLP CN(C(=O)CC(N)=O)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673668950 544883097 /nfs/dbraw/zinc/88/30/97/544883097.db2.gz CVWMKPBWMVTWGG-GFCCVEGCSA-N 2 2 282.388 -0.511 20 0 CBADLP CN(C(=O)CC(N)=O)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673668950 544883103 /nfs/dbraw/zinc/88/31/03/544883103.db2.gz CVWMKPBWMVTWGG-GFCCVEGCSA-N 2 2 282.388 -0.511 20 0 CBADLP COCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000673663011 544883870 /nfs/dbraw/zinc/88/38/70/544883870.db2.gz WUWOTLCTRYXHJO-QWHCGFSZSA-N 2 2 285.388 -0.456 20 0 CBADLP COCC[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000673663011 544883873 /nfs/dbraw/zinc/88/38/73/544883873.db2.gz WUWOTLCTRYXHJO-QWHCGFSZSA-N 2 2 285.388 -0.456 20 0 CBADLP COCC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000673663011 544883876 /nfs/dbraw/zinc/88/38/76/544883876.db2.gz WUWOTLCTRYXHJO-QWHCGFSZSA-N 2 2 285.388 -0.456 20 0 CBADLP COCC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000673663011 544883879 /nfs/dbraw/zinc/88/38/79/544883879.db2.gz WUWOTLCTRYXHJO-QWHCGFSZSA-N 2 2 285.388 -0.456 20 0 CBADLP CN(C(=O)CC(N)=O)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673668952 544883937 /nfs/dbraw/zinc/88/39/37/544883937.db2.gz CVWMKPBWMVTWGG-LBPRGKRZSA-N 2 2 282.388 -0.511 20 0 CBADLP CN(C(=O)CC(N)=O)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673668952 544883938 /nfs/dbraw/zinc/88/39/38/544883938.db2.gz CVWMKPBWMVTWGG-LBPRGKRZSA-N 2 2 282.388 -0.511 20 0 CBADLP C[C@@H](O)C[NH+]1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000673662069 544884538 /nfs/dbraw/zinc/88/45/38/544884538.db2.gz LLXIIKJASIDPNS-LLVKDONJSA-N 2 2 252.318 -0.592 20 0 CBADLP C[C@@H](NC(=O)N1CC[NH+](C)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000676306943 544947220 /nfs/dbraw/zinc/94/72/20/544947220.db2.gz XFYMLSICOMIAAW-VXGBXAGGSA-N 2 2 270.377 -0.338 20 0 CBADLP C[C@@H](NC(=O)N1CC[NH+](C)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000676306943 544947223 /nfs/dbraw/zinc/94/72/23/544947223.db2.gz XFYMLSICOMIAAW-VXGBXAGGSA-N 2 2 270.377 -0.338 20 0 CBADLP C[N@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000674774412 544915236 /nfs/dbraw/zinc/91/52/36/544915236.db2.gz BDBPHROAILMHKD-GFCCVEGCSA-N 2 2 255.362 -0.393 20 0 CBADLP C[C@H]1CN(C)C[C@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000674878192 544920118 /nfs/dbraw/zinc/92/01/18/544920118.db2.gz GWDVDBRZJIECLK-NWDGAFQWSA-N 2 2 254.378 -0.700 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCN1CCCS1(=O)=O ZINC000674878072 544920831 /nfs/dbraw/zinc/92/08/31/544920831.db2.gz DOEUSRAUSMMRML-NEPJUHHUSA-N 2 2 275.418 -0.048 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCN1CCCS1(=O)=O ZINC000674878072 544920833 /nfs/dbraw/zinc/92/08/33/544920833.db2.gz DOEUSRAUSMMRML-NEPJUHHUSA-N 2 2 275.418 -0.048 20 0 CBADLP CC(C)OC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1c1nccn1C ZINC000659310307 420411362 /nfs/dbraw/zinc/41/13/62/420411362.db2.gz YSWWAHNOMUXKFW-NWDGAFQWSA-N 2 2 295.387 -0.355 20 0 CBADLP CC[N@H+](CC(=O)N(C)C)[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000677884244 544989559 /nfs/dbraw/zinc/98/95/59/544989559.db2.gz NJMQXPFZKBQHFN-CYBMUJFWSA-N 2 2 298.431 -0.051 20 0 CBADLP CC[N@@H+](CC(=O)N(C)C)[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000677884244 544989563 /nfs/dbraw/zinc/98/95/63/544989563.db2.gz NJMQXPFZKBQHFN-CYBMUJFWSA-N 2 2 298.431 -0.051 20 0 CBADLP C[NH2+]C[C@@H](C)NC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000659434824 420419079 /nfs/dbraw/zinc/41/90/79/420419079.db2.gz CMMQILAAFUHBLQ-GHMZBOCLSA-N 2 2 258.366 -0.386 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659434860 420419424 /nfs/dbraw/zinc/41/94/24/420419424.db2.gz DGQKONGKMWQBHY-QJPTWQEYSA-N 2 2 288.367 -0.212 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1CC[NH2+]C1 ZINC000659436802 420419590 /nfs/dbraw/zinc/41/95/90/420419590.db2.gz YPMMKMXPUGYVEF-QWRGUYRKSA-N 2 2 256.350 -0.632 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CC2CC1(C[NH3+])C2 ZINC000659451645 420420243 /nfs/dbraw/zinc/42/02/43/420420243.db2.gz UIMNTBHUOGKRBZ-LKSINWNRSA-N 2 2 282.388 -0.160 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CC2CC1(C[NH3+])C2 ZINC000659451645 420420246 /nfs/dbraw/zinc/42/02/46/420420246.db2.gz UIMNTBHUOGKRBZ-LKSINWNRSA-N 2 2 282.388 -0.160 20 0 CBADLP CN1CC[N@H+](C)[C@@H](CNC(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659453276 420420749 /nfs/dbraw/zinc/42/07/49/420420749.db2.gz JCANZXJSRCEANO-LXVYMNJGSA-N 2 2 281.404 -0.717 20 0 CBADLP CN1CC[N@@H+](C)[C@@H](CNC(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659453276 420420751 /nfs/dbraw/zinc/42/07/51/420420751.db2.gz JCANZXJSRCEANO-LXVYMNJGSA-N 2 2 281.404 -0.717 20 0 CBADLP Cn1c[nH+]cc1CC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000548255296 420422915 /nfs/dbraw/zinc/42/29/15/420422915.db2.gz HRAYJAPNQLYRAF-UHFFFAOYSA-N 2 2 276.344 0.359 20 0 CBADLP O=C(C[NH2+]C[C@H]1CCCO1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659359248 420415752 /nfs/dbraw/zinc/41/57/52/420415752.db2.gz XKAVCIXJYYOFHX-UONOGXRCSA-N 2 2 297.399 -0.312 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](C(C)(C)CO)CC2)C1 ZINC000677647297 544981089 /nfs/dbraw/zinc/98/10/89/544981089.db2.gz SUSDFGVBSNHNFA-ZDUSSCGKSA-N 2 2 299.415 -0.378 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[NH+](C(C)(C)CO)CC2)C1 ZINC000677647297 544981095 /nfs/dbraw/zinc/98/10/95/544981095.db2.gz SUSDFGVBSNHNFA-ZDUSSCGKSA-N 2 2 299.415 -0.378 20 0 CBADLP O=C(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)N1CCOC[C@@H]1C1CC1 ZINC000677980862 545010279 /nfs/dbraw/zinc/01/02/79/545010279.db2.gz LSJXHXZNJCCPHA-MELADBBJSA-N 2 2 279.384 -0.225 20 0 CBADLP C[NH2+]CCCNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659505707 420424831 /nfs/dbraw/zinc/42/48/31/420424831.db2.gz QBKNTXQKNSEJKR-LBPRGKRZSA-N 2 2 270.377 -0.288 20 0 CBADLP C[C@H](NC(=O)NCCN1CC[NH2+]CC1)c1[nH+]ccn1C ZINC000659507822 420426230 /nfs/dbraw/zinc/42/62/30/420426230.db2.gz OXZSLUZDSZIYDD-NSHDSACASA-N 2 2 280.376 -0.315 20 0 CBADLP C[C@H]1C[C@@H]([NH2+]CCc2nnnn2C)C[N@@H+]1C1CC1 ZINC000678498353 545017749 /nfs/dbraw/zinc/01/77/49/545017749.db2.gz ICHCQDQOXMLACS-VHSXEESVSA-N 2 2 250.350 -0.033 20 0 CBADLP C[C@H]1C[C@@H]([NH2+]CCc2nnnn2C)C[N@H+]1C1CC1 ZINC000678498353 545017750 /nfs/dbraw/zinc/01/77/50/545017750.db2.gz ICHCQDQOXMLACS-VHSXEESVSA-N 2 2 250.350 -0.033 20 0 CBADLP CC(C)([NH3+])CNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659522052 420428973 /nfs/dbraw/zinc/42/89/73/420428973.db2.gz ZPXIIUMNBHBNTQ-LLVKDONJSA-N 2 2 270.377 -0.160 20 0 CBADLP C[C@H](O)CNc1cc(NCC[N@@H+]2CCO[C@@H](C)C2)nc[nH+]1 ZINC000556842770 420429214 /nfs/dbraw/zinc/42/92/14/420429214.db2.gz YFLOLOCJWDEKQF-RYUDHWBXSA-N 2 2 295.387 0.402 20 0 CBADLP C[C@H](O)CNc1cc(NCC[N@H+]2CCO[C@@H](C)C2)nc[nH+]1 ZINC000556842770 420429215 /nfs/dbraw/zinc/42/92/15/420429215.db2.gz YFLOLOCJWDEKQF-RYUDHWBXSA-N 2 2 295.387 0.402 20 0 CBADLP C[C@H](O)CNc1cc(NCC[N@@H+]2CCO[C@H](C)C2)nc[nH+]1 ZINC000556842769 420429407 /nfs/dbraw/zinc/42/94/07/420429407.db2.gz YFLOLOCJWDEKQF-NWDGAFQWSA-N 2 2 295.387 0.402 20 0 CBADLP C[C@H](O)CNc1cc(NCC[N@H+]2CCO[C@H](C)C2)nc[nH+]1 ZINC000556842769 420429411 /nfs/dbraw/zinc/42/94/11/420429411.db2.gz YFLOLOCJWDEKQF-NWDGAFQWSA-N 2 2 295.387 0.402 20 0 CBADLP C[C@@H](O)CNc1cc(NCC[N@@H+]2CCO[C@@H](C)C2)nc[nH+]1 ZINC000556842768 420429646 /nfs/dbraw/zinc/42/96/46/420429646.db2.gz YFLOLOCJWDEKQF-NEPJUHHUSA-N 2 2 295.387 0.402 20 0 CBADLP C[C@@H](O)CNc1cc(NCC[N@H+]2CCO[C@@H](C)C2)nc[nH+]1 ZINC000556842768 420429649 /nfs/dbraw/zinc/42/96/49/420429649.db2.gz YFLOLOCJWDEKQF-NEPJUHHUSA-N 2 2 295.387 0.402 20 0 CBADLP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000659751370 420467254 /nfs/dbraw/zinc/46/72/54/420467254.db2.gz GWXSVMXYNQBVLO-GHMZBOCLSA-N 2 2 293.371 -0.540 20 0 CBADLP CN(CC(=O)N1CC[NH+](C)CC1)Cc1[nH]cc[nH+]1 ZINC000682842474 545061518 /nfs/dbraw/zinc/06/15/18/545061518.db2.gz JPQKHRRVEWJLIL-UHFFFAOYSA-N 2 2 251.334 -0.385 20 0 CBADLP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000659750370 420467534 /nfs/dbraw/zinc/46/75/34/420467534.db2.gz BXAMKNUBBDSGDE-JTQLQIEISA-N 2 2 293.371 -0.160 20 0 CBADLP C[NH+](C)C1CC[NH+](CCNC(=O)C(C)(C)C(N)=O)CC1 ZINC000683487830 545065271 /nfs/dbraw/zinc/06/52/71/545065271.db2.gz NQDROOWHATYZKM-UHFFFAOYSA-N 2 2 284.404 -0.360 20 0 CBADLP C[NH2+]C[C@@H](C)NC(=O)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000659754075 420468250 /nfs/dbraw/zinc/46/82/50/420468250.db2.gz SCNDQTHIYCZBPZ-LLVKDONJSA-N 2 2 281.360 -0.544 20 0 CBADLP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000659751375 420468568 /nfs/dbraw/zinc/46/85/68/420468568.db2.gz GWXSVMXYNQBVLO-WDEREUQCSA-N 2 2 293.371 -0.540 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)CN1CC[NH+](C)CC1 ZINC000684070322 545070669 /nfs/dbraw/zinc/07/06/69/545070669.db2.gz FNZRUXYDZPZLTO-CQSZACIVSA-N 2 2 298.431 -0.587 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH+]3CCC3)[C@@H](F)C2)C1 ZINC000684180140 545072358 /nfs/dbraw/zinc/07/23/58/545072358.db2.gz VWWBTAKGUZDXLD-AVGNSLFASA-N 2 2 285.363 -0.038 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH+]3CCC3)[C@@H](F)C2)C1 ZINC000684180140 545072360 /nfs/dbraw/zinc/07/23/60/545072360.db2.gz VWWBTAKGUZDXLD-AVGNSLFASA-N 2 2 285.363 -0.038 20 0 CBADLP CCC[N@@H+]1CC[C@@H](NC(=O)N2CC[NH+](C)C[C@H]2C[NH3+])C1 ZINC000659610165 420437727 /nfs/dbraw/zinc/43/77/27/420437727.db2.gz LZWXNKUVNNYIFK-CHWSQXEVSA-N 3 2 283.420 -0.245 20 0 CBADLP CCC[N@H+]1CC[C@@H](NC(=O)N2CC[NH+](C)C[C@H]2C[NH3+])C1 ZINC000659610165 420437731 /nfs/dbraw/zinc/43/77/31/420437731.db2.gz LZWXNKUVNNYIFK-CHWSQXEVSA-N 3 2 283.420 -0.245 20 0 CBADLP CCC[NH+]1CC[C@@H](NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])C1 ZINC000659610165 420437734 /nfs/dbraw/zinc/43/77/34/420437734.db2.gz LZWXNKUVNNYIFK-CHWSQXEVSA-N 3 2 283.420 -0.245 20 0 CBADLP CCC[NH+]1CC[C@@H](NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])C1 ZINC000659610165 420437735 /nfs/dbraw/zinc/43/77/35/420437735.db2.gz LZWXNKUVNNYIFK-CHWSQXEVSA-N 3 2 283.420 -0.245 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)/C=C/C[NH+](C)C ZINC000491686730 230331328 /nfs/dbraw/zinc/33/13/28/230331328.db2.gz SGFFDGFMLVPMQG-ZYOFXKKJSA-N 2 2 255.362 -0.059 20 0 CBADLP CN(C)[C@H](C(=O)NC[C@](C)(O)C[NH+](C)C)c1c[nH+]cn1C ZINC000684834575 545077282 /nfs/dbraw/zinc/07/72/82/545077282.db2.gz BAUOFWZQYNXLCL-JSGCOSHPSA-N 2 2 297.403 -0.548 20 0 CBADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000682501197 545056795 /nfs/dbraw/zinc/05/67/95/545056795.db2.gz NOEBIXQHCSDWSD-STQMWFEESA-N 2 2 291.399 -0.193 20 0 CBADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000682501197 545056796 /nfs/dbraw/zinc/05/67/96/545056796.db2.gz NOEBIXQHCSDWSD-STQMWFEESA-N 2 2 291.399 -0.193 20 0 CBADLP C[C@H](O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000682501008 545057040 /nfs/dbraw/zinc/05/70/40/545057040.db2.gz ZMLBUPUWRCOHLE-WCQYABFASA-N 2 2 269.389 -0.006 20 0 CBADLP C[C@H](O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000682501008 545057041 /nfs/dbraw/zinc/05/70/41/545057041.db2.gz ZMLBUPUWRCOHLE-WCQYABFASA-N 2 2 269.389 -0.006 20 0 CBADLP CC(C)[C@H]([NH3+])C(=O)NCC(=O)Nc1ccc(N)[nH+]c1 ZINC000566237144 420444378 /nfs/dbraw/zinc/44/43/78/420444378.db2.gz LALLXGJFQNBGSG-NSHDSACASA-N 2 2 265.317 -0.298 20 0 CBADLP Cc1cc(NC(=O)CN2CC[NH+](CCC[NH3+])CC2)no1 ZINC000566302671 420445988 /nfs/dbraw/zinc/44/59/88/420445988.db2.gz GZYHDSZLCLYHID-UHFFFAOYSA-N 2 2 281.360 -0.112 20 0 CBADLP CN(CC(C)(C)[NH3+])C(=O)C(=O)NCCn1cc[nH+]c1 ZINC000659677533 420447627 /nfs/dbraw/zinc/44/76/27/420447627.db2.gz PWWPIKWFHSSDCE-UHFFFAOYSA-N 2 2 267.333 -0.805 20 0 CBADLP COc1c(N)[nH+]cnc1NCC[N@@H+]1CCCOCC1 ZINC000568250423 420449588 /nfs/dbraw/zinc/44/95/88/420449588.db2.gz POCSOXYICBYEEC-UHFFFAOYSA-N 2 2 267.333 0.202 20 0 CBADLP COc1c(N)[nH+]cnc1NCC[N@H+]1CCCOCC1 ZINC000568250423 420449589 /nfs/dbraw/zinc/44/95/89/420449589.db2.gz POCSOXYICBYEEC-UHFFFAOYSA-N 2 2 267.333 0.202 20 0 CBADLP Nc1nc(N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)[nH+]c2ccccc12 ZINC000568257593 420449953 /nfs/dbraw/zinc/44/99/53/420449953.db2.gz QTBIMKPYXHURLR-ONGXEEELSA-N 2 2 298.350 -0.040 20 0 CBADLP C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000659703444 420452827 /nfs/dbraw/zinc/45/28/27/420452827.db2.gz BYQFXKQBIPTDIT-NXEZZACHSA-N 2 2 267.333 -0.888 20 0 CBADLP COC(=O)CC[C@H]([NH3+])C(=O)Nc1ccc(N)[nH+]c1 ZINC000570929018 420454751 /nfs/dbraw/zinc/45/47/51/420454751.db2.gz YTFICCDALLOHMY-QMMMGPOBSA-N 2 2 252.274 -0.117 20 0 CBADLP Cn1ncc2c1nc(N)[nH+]c2N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000573386306 420457560 /nfs/dbraw/zinc/45/75/60/420457560.db2.gz YQTHGDFRAFNTNJ-UHFFFAOYSA-N 2 2 299.342 -0.005 20 0 CBADLP Cc1cc(NC(=O)CC[NH2+]CC[NH+]2CCC(O)CC2)no1 ZINC000573967624 420459217 /nfs/dbraw/zinc/45/92/17/420459217.db2.gz ZTOMGPCTEJXAGV-UHFFFAOYSA-N 2 2 296.371 0.358 20 0 CBADLP Nc1ncc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)s1 ZINC000573578611 420459526 /nfs/dbraw/zinc/45/95/26/420459526.db2.gz SHHOKTXRAUULRI-VXNVDRBHSA-N 2 2 267.358 -0.531 20 0 CBADLP Nc1ncc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)s1 ZINC000573578611 420459527 /nfs/dbraw/zinc/45/95/27/420459527.db2.gz SHHOKTXRAUULRI-VXNVDRBHSA-N 2 2 267.358 -0.531 20 0 CBADLP COc1c(N)[nH+]cnc1NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000583273314 420474805 /nfs/dbraw/zinc/47/48/05/420474805.db2.gz MYSVLAPCYIERIM-SNVBAGLBSA-N 2 2 280.376 0.115 20 0 CBADLP CCN1CC[C@H]([NH+]2CCC([N@H+](C)CCO)CC2)C1=O ZINC000659897646 420475619 /nfs/dbraw/zinc/47/56/19/420475619.db2.gz ZIVVNJXQOCIDBN-ZDUSSCGKSA-N 2 2 269.389 -0.004 20 0 CBADLP CCN1CC[C@H]([NH+]2CCC([N@@H+](C)CCO)CC2)C1=O ZINC000659897646 420475621 /nfs/dbraw/zinc/47/56/21/420475621.db2.gz ZIVVNJXQOCIDBN-ZDUSSCGKSA-N 2 2 269.389 -0.004 20 0 CBADLP O=C1C[C@H](C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)CN1 ZINC000659954951 420479532 /nfs/dbraw/zinc/47/95/32/420479532.db2.gz FHUFQUXTDFSOMS-STQMWFEESA-N 2 2 267.373 -0.223 20 0 CBADLP O=C1C[C@H](C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)CN1 ZINC000659954951 420479534 /nfs/dbraw/zinc/47/95/34/420479534.db2.gz FHUFQUXTDFSOMS-STQMWFEESA-N 2 2 267.373 -0.223 20 0 CBADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](NC(N)=O)C1 ZINC000660150896 420485657 /nfs/dbraw/zinc/48/56/57/420485657.db2.gz VBJAXKJWJRJMDT-GHMZBOCLSA-N 2 2 258.366 -0.570 20 0 CBADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](NC(N)=O)C1 ZINC000660150896 420485659 /nfs/dbraw/zinc/48/56/59/420485659.db2.gz VBJAXKJWJRJMDT-GHMZBOCLSA-N 2 2 258.366 -0.570 20 0 CBADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](NC(N)=O)C1 ZINC000660150896 420485661 /nfs/dbraw/zinc/48/56/61/420485661.db2.gz VBJAXKJWJRJMDT-GHMZBOCLSA-N 2 2 258.366 -0.570 20 0 CBADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC000660150896 420485663 /nfs/dbraw/zinc/48/56/63/420485663.db2.gz VBJAXKJWJRJMDT-GHMZBOCLSA-N 2 2 258.366 -0.570 20 0 CBADLP Nc1ccc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cn1 ZINC000594738631 420486333 /nfs/dbraw/zinc/48/63/33/420486333.db2.gz IWUBINSWXYYMHA-GHMZBOCLSA-N 2 2 261.329 -0.592 20 0 CBADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCN2CCOC[C@@H]2C1 ZINC000660274435 420488249 /nfs/dbraw/zinc/48/82/49/420488249.db2.gz RUNNVJHEEJVBJC-KBPBESRZSA-N 2 2 271.405 -0.296 20 0 CBADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCN2CCOC[C@@H]2C1 ZINC000660274435 420488250 /nfs/dbraw/zinc/48/82/50/420488250.db2.gz RUNNVJHEEJVBJC-KBPBESRZSA-N 2 2 271.405 -0.296 20 0 CBADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000660274435 420488251 /nfs/dbraw/zinc/48/82/51/420488251.db2.gz RUNNVJHEEJVBJC-KBPBESRZSA-N 2 2 271.405 -0.296 20 0 CBADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000660274435 420488252 /nfs/dbraw/zinc/48/82/52/420488252.db2.gz RUNNVJHEEJVBJC-KBPBESRZSA-N 2 2 271.405 -0.296 20 0 CBADLP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@H](CO)c1cnn(C)c1 ZINC000660271656 420488293 /nfs/dbraw/zinc/48/82/93/420488293.db2.gz ZWBMTZJDPGDESN-OLZOCXBDSA-N 2 2 270.377 -0.256 20 0 CBADLP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H](CO)c1cnn(C)c1 ZINC000660271656 420488295 /nfs/dbraw/zinc/48/82/95/420488295.db2.gz ZWBMTZJDPGDESN-OLZOCXBDSA-N 2 2 270.377 -0.256 20 0 CBADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000660441670 420491112 /nfs/dbraw/zinc/49/11/12/420491112.db2.gz XUFMTRTUBPLGBE-SMDDNHRTSA-N 2 2 298.387 -0.639 20 0 CBADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000660441670 420491114 /nfs/dbraw/zinc/49/11/14/420491114.db2.gz XUFMTRTUBPLGBE-SMDDNHRTSA-N 2 2 298.387 -0.639 20 0 CBADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000660441670 420491116 /nfs/dbraw/zinc/49/11/16/420491116.db2.gz XUFMTRTUBPLGBE-SMDDNHRTSA-N 2 2 298.387 -0.639 20 0 CBADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000660441670 420491118 /nfs/dbraw/zinc/49/11/18/420491118.db2.gz XUFMTRTUBPLGBE-SMDDNHRTSA-N 2 2 298.387 -0.639 20 0 CBADLP COC(=O)[C@H]1CN(c2nc(C)[nH+]c(N)n2)CC[N@H+](C)C1 ZINC000601175946 420492864 /nfs/dbraw/zinc/49/28/64/420492864.db2.gz LZNDJGZUWGJHJY-SECBINFHSA-N 2 2 280.332 -0.697 20 0 CBADLP COC(=O)[C@H]1CN(c2nc(C)[nH+]c(N)n2)CC[N@@H+](C)C1 ZINC000601175946 420492865 /nfs/dbraw/zinc/49/28/65/420492865.db2.gz LZNDJGZUWGJHJY-SECBINFHSA-N 2 2 280.332 -0.697 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC(O)(COC)CC1 ZINC000518211460 260356233 /nfs/dbraw/zinc/35/62/33/260356233.db2.gz GXLQCUYMDNSLTI-CYBMUJFWSA-N 2 2 290.404 -0.601 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(O)(COC)CC1 ZINC000518211460 260356234 /nfs/dbraw/zinc/35/62/34/260356234.db2.gz GXLQCUYMDNSLTI-CYBMUJFWSA-N 2 2 290.404 -0.601 20 0 CBADLP Cc1cc(C)c(CNC(=O)C(=O)N2CC[NH2+]CC2)c[nH+]1 ZINC000397005631 269586991 /nfs/dbraw/zinc/58/69/91/269586991.db2.gz GPWHNWJFQOJFGS-UHFFFAOYSA-N 2 2 276.340 -0.254 20 0 CBADLP CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3COCC[NH2+]3)C2)CC1 ZINC000424173554 276387422 /nfs/dbraw/zinc/38/74/22/276387422.db2.gz LGGDZVCYSWQWQD-UONOGXRCSA-N 2 2 296.415 -0.787 20 0 CBADLP C[NH+](C)CCOCC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423073209 276791829 /nfs/dbraw/zinc/79/18/29/276791829.db2.gz QYFDYGFBXKARHM-KGLIPLIRSA-N 3 2 271.405 -0.079 20 0 CBADLP CN(C)c1nc(N2CC[NH+]([C@H]3COC[C@H]3O)CC2)cc[nH+]1 ZINC000361310889 276814155 /nfs/dbraw/zinc/81/41/55/276814155.db2.gz VDUHMRFKLACUOP-NWDGAFQWSA-N 2 2 293.371 -0.576 20 0 CBADLP CN(C)c1cc[nH+]cc1C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000184009960 276891492 /nfs/dbraw/zinc/89/14/92/276891492.db2.gz KLKPFLUZKCWWEO-GFCCVEGCSA-N 2 2 289.383 -0.123 20 0 CBADLP Cc1cn[nH]c1C[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000685614177 545081858 /nfs/dbraw/zinc/08/18/58/545081858.db2.gz DWNGAJSMRIIBKX-UHFFFAOYSA-N 2 2 251.334 -0.418 20 0 CBADLP C[C@H]1CC(=O)NCC[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000685570001 545082039 /nfs/dbraw/zinc/08/20/39/545082039.db2.gz SISNAYVKLUDWCZ-CMPLNLGQSA-N 2 2 255.362 -0.348 20 0 CBADLP C[C@H]1CC(=O)NCC[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000685570001 545082040 /nfs/dbraw/zinc/08/20/40/545082040.db2.gz SISNAYVKLUDWCZ-CMPLNLGQSA-N 2 2 255.362 -0.348 20 0 CBADLP C[C@H]1CC(=O)NCC[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000685570001 545082041 /nfs/dbraw/zinc/08/20/41/545082041.db2.gz SISNAYVKLUDWCZ-CMPLNLGQSA-N 2 2 255.362 -0.348 20 0 CBADLP C[C@H]1CC(=O)NCC[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000685570001 545082042 /nfs/dbraw/zinc/08/20/42/545082042.db2.gz SISNAYVKLUDWCZ-CMPLNLGQSA-N 2 2 255.362 -0.348 20 0 CBADLP CC[C@H]([NH3+])C(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000178861627 287925825 /nfs/dbraw/zinc/92/58/25/287925825.db2.gz NEOLJARFYVPMQY-WOPDTQHZSA-N 2 2 255.362 -0.097 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CCCC[C@H]2C(N)=O)CC1 ZINC000184833801 277090677 /nfs/dbraw/zinc/09/06/77/277090677.db2.gz ZHIAAQQPBJHDEU-NEPJUHHUSA-N 2 2 282.388 -0.606 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[NH2+][C@@H](c3cccnc3)C2)C1 ZINC000328663671 277118064 /nfs/dbraw/zinc/11/80/64/277118064.db2.gz YCMNZKXMIGOOMA-ZIAGYGMSSA-N 2 2 290.367 -0.115 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N2CC[NH2+][C@@H](c3cccnc3)C2)C1 ZINC000328663671 277118065 /nfs/dbraw/zinc/11/80/65/277118065.db2.gz YCMNZKXMIGOOMA-ZIAGYGMSSA-N 2 2 290.367 -0.115 20 0 CBADLP CN1C(=O)C[C@@H]([N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)C1=O ZINC000368322569 277185808 /nfs/dbraw/zinc/18/58/08/277185808.db2.gz VANAOZNWSJMBMP-MFKMUULPSA-N 2 2 251.330 -0.229 20 0 CBADLP CN1C(=O)C[C@@H]([N@H+]2CC[C@]3(CC[NH+](C)C3)C2)C1=O ZINC000368322569 277185809 /nfs/dbraw/zinc/18/58/09/277185809.db2.gz VANAOZNWSJMBMP-MFKMUULPSA-N 2 2 251.330 -0.229 20 0 CBADLP CN1C(=O)C[C@@H]([NH+]2CC[C@]3(CC[N@H+](C)C3)C2)C1=O ZINC000368322569 277185812 /nfs/dbraw/zinc/18/58/12/277185812.db2.gz VANAOZNWSJMBMP-MFKMUULPSA-N 2 2 251.330 -0.229 20 0 CBADLP CN1C(=O)C[C@@H]([NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)C1=O ZINC000368322569 277185813 /nfs/dbraw/zinc/18/58/13/277185813.db2.gz VANAOZNWSJMBMP-MFKMUULPSA-N 2 2 251.330 -0.229 20 0 CBADLP C[NH2+]C[C@@H](C)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000092136990 277273200 /nfs/dbraw/zinc/27/32/00/277273200.db2.gz ZUCJQVDKJZWIBY-NEPJUHHUSA-N 2 2 255.362 -0.225 20 0 CBADLP COC(=O)CNC(=O)[C@H](C)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366544825 277323138 /nfs/dbraw/zinc/32/31/38/277323138.db2.gz NVHBIHMPJKOCSF-FZMZJTMJSA-N 2 2 283.372 -0.308 20 0 CBADLP COC(=O)CNC(=O)[C@H](C)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366544825 277323139 /nfs/dbraw/zinc/32/31/39/277323139.db2.gz NVHBIHMPJKOCSF-FZMZJTMJSA-N 2 2 283.372 -0.308 20 0 CBADLP COC(=O)CNC(=O)[C@H](C)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000366544825 277323140 /nfs/dbraw/zinc/32/31/40/277323140.db2.gz NVHBIHMPJKOCSF-FZMZJTMJSA-N 2 2 283.372 -0.308 20 0 CBADLP COC(=O)CNC(=O)[C@H](C)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000366544825 277323141 /nfs/dbraw/zinc/32/31/41/277323141.db2.gz NVHBIHMPJKOCSF-FZMZJTMJSA-N 2 2 283.372 -0.308 20 0 CBADLP COC(=O)N1CCC[C@@H](C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])C1 ZINC000496062171 277334154 /nfs/dbraw/zinc/33/41/54/277334154.db2.gz AJSBLPRMTXFWNU-NEPJUHHUSA-N 2 2 298.387 -0.434 20 0 CBADLP COC(=O)N1CCC[C@@H](C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])C1 ZINC000496062171 277334155 /nfs/dbraw/zinc/33/41/55/277334155.db2.gz AJSBLPRMTXFWNU-NEPJUHHUSA-N 2 2 298.387 -0.434 20 0 CBADLP CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)C1 ZINC000430918196 278142476 /nfs/dbraw/zinc/14/24/76/278142476.db2.gz GRPUGVGWZBRRFP-MRVWCRGKSA-N 2 2 296.415 -0.217 20 0 CBADLP CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)C1 ZINC000430918196 278142477 /nfs/dbraw/zinc/14/24/77/278142477.db2.gz GRPUGVGWZBRRFP-MRVWCRGKSA-N 2 2 296.415 -0.217 20 0 CBADLP CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@](C)(C[NH3+])C2)C1 ZINC000261721887 278142574 /nfs/dbraw/zinc/14/25/74/278142574.db2.gz NNIVQCCLNJJQCS-UKRRQHHQSA-N 2 2 296.415 -0.216 20 0 CBADLP CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@](C)(C[NH3+])C2)C1 ZINC000261721887 278142576 /nfs/dbraw/zinc/14/25/76/278142576.db2.gz NNIVQCCLNJJQCS-UKRRQHHQSA-N 2 2 296.415 -0.216 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000109789256 278159558 /nfs/dbraw/zinc/15/95/58/278159558.db2.gz PYBGUSCVZBYFIO-GFCCVEGCSA-N 2 2 296.415 -0.264 20 0 CBADLP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CC[NH+](C)CC2)C1 ZINC000459921233 279165965 /nfs/dbraw/zinc/16/59/65/279165965.db2.gz PFDSBXOHFDVYSA-ZDUSSCGKSA-N 2 2 296.415 -0.297 20 0 CBADLP CC(C)C[C@H]([NH3+])C(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC000037819281 279175299 /nfs/dbraw/zinc/17/52/99/279175299.db2.gz VJYYGSYHUAUPCK-ZDUSSCGKSA-N 2 2 298.431 -0.018 20 0 CBADLP CC(C)C[C@H]([NH3+])C(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC000037819281 279175302 /nfs/dbraw/zinc/17/53/02/279175302.db2.gz VJYYGSYHUAUPCK-ZDUSSCGKSA-N 2 2 298.431 -0.018 20 0 CBADLP CC[N@H+](CCO)CC[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000494929763 279209060 /nfs/dbraw/zinc/20/90/60/279209060.db2.gz JSHMWTINMGFQKD-LLVKDONJSA-N 2 2 257.378 -0.053 20 0 CBADLP CC[N@@H+](CCO)CC[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000494929763 279209061 /nfs/dbraw/zinc/20/90/61/279209061.db2.gz JSHMWTINMGFQKD-LLVKDONJSA-N 2 2 257.378 -0.053 20 0 CBADLP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CC[NH+](CC)CC1 ZINC000420155353 279509208 /nfs/dbraw/zinc/50/92/08/279509208.db2.gz KVXFKYULKSMWEH-LLVKDONJSA-N 2 2 270.377 -0.735 20 0 CBADLP O=C([C@H]1COCC[NH2+]1)N1CC[NH+](C2CCC2)CC1 ZINC000262256455 280144588 /nfs/dbraw/zinc/14/45/88/280144588.db2.gz QSKMIJDMDCZRDU-GFCCVEGCSA-N 2 2 253.346 -0.329 20 0 CBADLP CC1(C)COCC[N@@H+]1CCNC(=O)C[C@H]1C[NH2+]CCO1 ZINC000430875903 281284623 /nfs/dbraw/zinc/28/46/23/281284623.db2.gz BKMNZOLLFXHNPW-LBPRGKRZSA-N 2 2 285.388 -0.408 20 0 CBADLP CC1(C)COCC[N@H+]1CCNC(=O)C[C@H]1C[NH2+]CCO1 ZINC000430875903 281284628 /nfs/dbraw/zinc/28/46/28/281284628.db2.gz BKMNZOLLFXHNPW-LBPRGKRZSA-N 2 2 285.388 -0.408 20 0 CBADLP C[NH+](C)C1CCN(C[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC000193811281 282051603 /nfs/dbraw/zinc/05/16/03/282051603.db2.gz UFUVRSIQBVZRPF-CQSZACIVSA-N 2 2 271.405 -0.295 20 0 CBADLP C[NH+](C)C1CC[NH+](C[C@@H](O)CN2CCOCC2)CC1 ZINC000193811281 282051605 /nfs/dbraw/zinc/05/16/05/282051605.db2.gz UFUVRSIQBVZRPF-CQSZACIVSA-N 2 2 271.405 -0.295 20 0 CBADLP C[C@@]1(C[N@@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)CC[NH2+]C1 ZINC000262080937 289164556 /nfs/dbraw/zinc/16/45/56/289164556.db2.gz TVIGWBCNMFAKKP-JOYOIKCWSA-N 2 2 252.318 -0.778 20 0 CBADLP C[C@@]1(C[N@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)CC[NH2+]C1 ZINC000262080937 289164559 /nfs/dbraw/zinc/16/45/59/289164559.db2.gz TVIGWBCNMFAKKP-JOYOIKCWSA-N 2 2 252.318 -0.778 20 0 CBADLP C[C@H](C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1)[NH+]1CCOCC1 ZINC000351534546 289313148 /nfs/dbraw/zinc/31/31/48/289313148.db2.gz DAVRXHWSXCLIEB-MROQNXINSA-N 2 2 267.373 -0.097 20 0 CBADLP C[C@H](C(=O)NC(=O)NC1CC1)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000359294301 289333601 /nfs/dbraw/zinc/33/36/01/289333601.db2.gz BOIJZNBLBSBQHD-OPRDCNLKSA-N 2 2 266.345 -0.486 20 0 CBADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000495058655 290035033 /nfs/dbraw/zinc/03/50/33/290035033.db2.gz KFMOORDNIHPDJK-NWDGAFQWSA-N 2 2 268.405 -0.121 20 0 CBADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000495058655 290035034 /nfs/dbraw/zinc/03/50/34/290035034.db2.gz KFMOORDNIHPDJK-NWDGAFQWSA-N 2 2 268.405 -0.121 20 0 CBADLP C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H]2CCCC[NH2+]C2)C1 ZINC000333613003 290108860 /nfs/dbraw/zinc/10/88/60/290108860.db2.gz QUHMVSQQKUFMFN-VXGBXAGGSA-N 2 2 270.377 -0.242 20 0 CBADLP C[N@H+]1CCO[C@H](CNC(=O)N[C@@H]2CCCC[NH2+]C2)C1 ZINC000333613003 290108861 /nfs/dbraw/zinc/10/88/61/290108861.db2.gz QUHMVSQQKUFMFN-VXGBXAGGSA-N 2 2 270.377 -0.242 20 0 CBADLP CO[C@@H]1CCN(C(=O)[C@@H](C)[NH+]2CCOCC2)[C@@H](C[NH3+])C1 ZINC000359214782 293740228 /nfs/dbraw/zinc/74/02/28/293740228.db2.gz LZOFSAKVBBDOBF-JHJVBQTASA-N 2 2 285.388 -0.328 20 0 CBADLP Cn1cc(N2CC[C@H]([N@@H+]3CC[C@@H](C[NH3+])C3)C2=O)cn1 ZINC000430917228 294254495 /nfs/dbraw/zinc/25/44/95/294254495.db2.gz JIKXLERIAMNBTJ-JQWIXIFHSA-N 2 2 263.345 -0.194 20 0 CBADLP Cn1cc(N2CC[C@H]([N@H+]3CC[C@@H](C[NH3+])C3)C2=O)cn1 ZINC000430917228 294254499 /nfs/dbraw/zinc/25/44/99/294254499.db2.gz JIKXLERIAMNBTJ-JQWIXIFHSA-N 2 2 263.345 -0.194 20 0 CBADLP O=C(/C=C/c1[nH]cc[nH+]1)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000493536006 295399907 /nfs/dbraw/zinc/39/99/07/295399907.db2.gz YZFNEUCHQKGADF-YUKKFKLSSA-N 2 2 276.340 -0.004 20 0 CBADLP O=C(C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1)N1CC[NH2+]CC1 ZINC000423205711 295414562 /nfs/dbraw/zinc/41/45/62/295414562.db2.gz BDXYSCNHOIGTEO-LLVKDONJSA-N 2 2 291.355 -0.105 20 0 CBADLP C[C@H](C(=O)NC(C)(C)C)[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000051762821 298128000 /nfs/dbraw/zinc/12/80/00/298128000.db2.gz CONDQYCQGGNGBB-GFCCVEGCSA-N 2 2 298.431 -0.005 20 0 CBADLP C[C@H](NC(=O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)C(=O)N(C)C ZINC000357082799 299055333 /nfs/dbraw/zinc/05/53/33/299055333.db2.gz PHKHKYAANQTLHH-TUAOUCFPSA-N 2 2 282.388 -0.879 20 0 CBADLP C[C@H](NC(=O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)C(=O)N(C)C ZINC000357082799 299055335 /nfs/dbraw/zinc/05/53/35/299055335.db2.gz PHKHKYAANQTLHH-TUAOUCFPSA-N 2 2 282.388 -0.879 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N(C)CC[NH+](C)C ZINC000356106770 300346186 /nfs/dbraw/zinc/34/61/86/300346186.db2.gz DKJUJGWNLQMQHA-LBPRGKRZSA-N 2 2 272.393 -0.090 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)N(C)CC[NH+](C)C ZINC000356106770 300346188 /nfs/dbraw/zinc/34/61/88/300346188.db2.gz DKJUJGWNLQMQHA-LBPRGKRZSA-N 2 2 272.393 -0.090 20 0 CBADLP Cn1ccnc1[C@H]1C[NH2+]CCN1CC[NH+]1CCOCC1 ZINC000261800420 303009602 /nfs/dbraw/zinc/00/96/02/303009602.db2.gz RIYHUYPKPOODSJ-CYBMUJFWSA-N 2 2 279.388 -0.301 20 0 CBADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H](C)[N@H+]1CCO ZINC000563286027 328008974 /nfs/dbraw/zinc/00/89/74/328008974.db2.gz JULBPBJPLAWGII-TXEJJXNPSA-N 2 2 266.345 -0.203 20 0 CBADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H](C)[N@@H+]1CCO ZINC000563286027 328008976 /nfs/dbraw/zinc/00/89/76/328008976.db2.gz JULBPBJPLAWGII-TXEJJXNPSA-N 2 2 266.345 -0.203 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC000563375100 328058438 /nfs/dbraw/zinc/05/84/38/328058438.db2.gz ALUPTSDVPASMPI-ZDUSSCGKSA-N 2 2 296.415 -0.392 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC000563375100 328058439 /nfs/dbraw/zinc/05/84/39/328058439.db2.gz ALUPTSDVPASMPI-ZDUSSCGKSA-N 2 2 296.415 -0.392 20 0 CBADLP C[N@@H+]1CCN(C(=O)CC(F)(F)C[NH3+])[C@@H](C[NH3+])C1 ZINC000563337152 328054605 /nfs/dbraw/zinc/05/46/05/328054605.db2.gz RDDIXWRCZYCSQY-QMMMGPOBSA-N 3 2 250.293 -0.928 20 0 CBADLP C[N@H+]1CCN(C(=O)CC(F)(F)C[NH3+])[C@@H](C[NH3+])C1 ZINC000563337152 328054607 /nfs/dbraw/zinc/05/46/07/328054607.db2.gz RDDIXWRCZYCSQY-QMMMGPOBSA-N 3 2 250.293 -0.928 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+](C)CCN1CCCC1=O ZINC000563358057 328056140 /nfs/dbraw/zinc/05/61/40/328056140.db2.gz VVHLBOSOULFPNX-GFCCVEGCSA-N 2 2 257.378 -0.147 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)CCN1CCCC1=O ZINC000563358057 328056142 /nfs/dbraw/zinc/05/61/42/328056142.db2.gz VVHLBOSOULFPNX-GFCCVEGCSA-N 2 2 257.378 -0.147 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@H+](C)CCN1CCCC1=O ZINC000563358057 328056143 /nfs/dbraw/zinc/05/61/43/328056143.db2.gz VVHLBOSOULFPNX-GFCCVEGCSA-N 2 2 257.378 -0.147 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)CCN1CCCC1=O ZINC000563358057 328056145 /nfs/dbraw/zinc/05/61/45/328056145.db2.gz VVHLBOSOULFPNX-GFCCVEGCSA-N 2 2 257.378 -0.147 20 0 CBADLP COc1ncncc1NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000563467129 328067256 /nfs/dbraw/zinc/06/72/56/328067256.db2.gz CZQCKCKWUWQUQZ-VIFPVBQESA-N 2 2 280.332 -0.408 20 0 CBADLP COc1ncncc1NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000563467129 328067258 /nfs/dbraw/zinc/06/72/58/328067258.db2.gz CZQCKCKWUWQUQZ-VIFPVBQESA-N 2 2 280.332 -0.408 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N(C)CCC[NH3+] ZINC000563455156 328067464 /nfs/dbraw/zinc/06/74/64/328067464.db2.gz SRTFOHSMNMKFSB-JTQLQIEISA-N 2 2 267.333 -0.805 20 0 CBADLP C[N@@H+]1CCN(C(=O)NCC(=O)N2CCCCC2)[C@@H](C[NH3+])C1 ZINC000563545923 328072774 /nfs/dbraw/zinc/07/27/74/328072774.db2.gz UVELQFOHCZIYKO-LBPRGKRZSA-N 2 2 297.403 -0.717 20 0 CBADLP C[N@H+]1CCN(C(=O)NCC(=O)N2CCCCC2)[C@@H](C[NH3+])C1 ZINC000563545923 328072775 /nfs/dbraw/zinc/07/27/75/328072775.db2.gz UVELQFOHCZIYKO-LBPRGKRZSA-N 2 2 297.403 -0.717 20 0 CBADLP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000563624136 328078187 /nfs/dbraw/zinc/07/81/87/328078187.db2.gz LJQKLDPBQLENTC-NWDGAFQWSA-N 2 2 295.387 -0.026 20 0 CBADLP CCN(CC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1)C1CC1 ZINC000563617195 328077129 /nfs/dbraw/zinc/07/71/29/328077129.db2.gz DGFPJRKSXPDWGI-HNNXBMFYSA-N 2 2 284.448 -0.331 20 0 CBADLP CC[N@H+](CCNC[C@H](O)C[NH+]1CCN(C)CC1)C1CC1 ZINC000563617195 328077130 /nfs/dbraw/zinc/07/71/30/328077130.db2.gz DGFPJRKSXPDWGI-HNNXBMFYSA-N 2 2 284.448 -0.331 20 0 CBADLP CC[N@@H+](CCNC[C@H](O)C[NH+]1CCN(C)CC1)C1CC1 ZINC000563617195 328077132 /nfs/dbraw/zinc/07/71/32/328077132.db2.gz DGFPJRKSXPDWGI-HNNXBMFYSA-N 2 2 284.448 -0.331 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NCCC[NH2+]C1CC1 ZINC000571210634 328093564 /nfs/dbraw/zinc/09/35/64/328093564.db2.gz SZYFVUVBUWPIJO-UHFFFAOYSA-N 2 2 284.404 -0.299 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NCCC[NH2+]C1CC1 ZINC000571210634 328093566 /nfs/dbraw/zinc/09/35/66/328093566.db2.gz SZYFVUVBUWPIJO-UHFFFAOYSA-N 2 2 284.404 -0.299 20 0 CBADLP COC(=O)CCC[NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000571316026 328104954 /nfs/dbraw/zinc/10/49/54/328104954.db2.gz SFGQEKZPLKGOEX-AVGNSLFASA-N 2 2 288.388 -0.001 20 0 CBADLP CN(CCNC(=O)Cn1cc[nH+]c1)C(=O)Cn1cc[nH+]c1 ZINC000571427207 328121351 /nfs/dbraw/zinc/12/13/51/328121351.db2.gz PGVLYHORHKNZRZ-UHFFFAOYSA-N 2 2 290.327 -0.646 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+](CCO)C1CCOCC1 ZINC000571533373 328132209 /nfs/dbraw/zinc/13/22/09/328132209.db2.gz PETDVENLEDWUSV-CQSZACIVSA-N 2 2 290.404 -0.601 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](CCO)C1CCOCC1 ZINC000571533373 328132211 /nfs/dbraw/zinc/13/22/11/328132211.db2.gz PETDVENLEDWUSV-CQSZACIVSA-N 2 2 290.404 -0.601 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+](CCO)C1CCOCC1 ZINC000571533373 328132212 /nfs/dbraw/zinc/13/22/12/328132212.db2.gz PETDVENLEDWUSV-CQSZACIVSA-N 2 2 290.404 -0.601 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](CCO)C1CCOCC1 ZINC000571533373 328132214 /nfs/dbraw/zinc/13/22/14/328132214.db2.gz PETDVENLEDWUSV-CQSZACIVSA-N 2 2 290.404 -0.601 20 0 CBADLP COC(=O)CN(C)C(=O)CC[N@H+](C)[C@H]1CC[NH2+]C1 ZINC000571522069 328131272 /nfs/dbraw/zinc/13/12/72/328131272.db2.gz XIADZHHSLHKJDS-JTQLQIEISA-N 2 2 257.334 -0.698 20 0 CBADLP COC(=O)CN(C)C(=O)CC[N@@H+](C)[C@H]1CC[NH2+]C1 ZINC000571522069 328131273 /nfs/dbraw/zinc/13/12/73/328131273.db2.gz XIADZHHSLHKJDS-JTQLQIEISA-N 2 2 257.334 -0.698 20 0 CBADLP Cc1nc(N2CC[NH+](CCOCC[NH3+])CC2)cc[nH+]1 ZINC000571521927 328131294 /nfs/dbraw/zinc/13/12/94/328131294.db2.gz DQESDSGJLGNKEH-UHFFFAOYSA-N 3 2 265.361 -0.118 20 0 CBADLP C[NH+](C)C[C@](C)(O)CNC(=O)C[NH+]1CC(C)(C)C1 ZINC000557657611 327019310 /nfs/dbraw/zinc/01/93/10/327019310.db2.gz ZGHGAEIYWKNZBH-CYBMUJFWSA-N 2 2 257.378 -0.243 20 0 CBADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]CCC(=O)NC(N)=O)C1 ZINC000557294764 327000584 /nfs/dbraw/zinc/00/05/84/327000584.db2.gz AOVQMQBHKMJXEK-LLVKDONJSA-N 2 2 286.376 -0.482 20 0 CBADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]CCC(=O)NC(N)=O)C1 ZINC000557294764 327000585 /nfs/dbraw/zinc/00/05/85/327000585.db2.gz AOVQMQBHKMJXEK-LLVKDONJSA-N 2 2 286.376 -0.482 20 0 CBADLP C[NH2+][C@@H](C)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000568652012 327008879 /nfs/dbraw/zinc/00/88/79/327008879.db2.gz MNCQOHIUUIFSJE-NSHDSACASA-N 2 2 281.360 -0.238 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000566008733 327112925 /nfs/dbraw/zinc/11/29/25/327112925.db2.gz FJQJDGAKQUTOGJ-AWEZNQCLSA-N 2 2 284.404 -0.360 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000566008733 327112926 /nfs/dbraw/zinc/11/29/26/327112926.db2.gz FJQJDGAKQUTOGJ-AWEZNQCLSA-N 2 2 284.404 -0.360 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000566008734 327112935 /nfs/dbraw/zinc/11/29/35/327112935.db2.gz FJQJDGAKQUTOGJ-CQSZACIVSA-N 2 2 284.404 -0.360 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000566008734 327112936 /nfs/dbraw/zinc/11/29/36/327112936.db2.gz FJQJDGAKQUTOGJ-CQSZACIVSA-N 2 2 284.404 -0.360 20 0 CBADLP CC(C)(C)NC(=O)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000573267558 327131056 /nfs/dbraw/zinc/13/10/56/327131056.db2.gz LRSRDIIHDMZWRX-ZJUUUORDSA-N 2 2 268.361 -0.855 20 0 CBADLP CC(C)(C)NC(=O)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000573267558 327131057 /nfs/dbraw/zinc/13/10/57/327131057.db2.gz LRSRDIIHDMZWRX-ZJUUUORDSA-N 2 2 268.361 -0.855 20 0 CBADLP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000569356406 327161905 /nfs/dbraw/zinc/16/19/05/327161905.db2.gz ACUHNVHQKVFYTK-UHFFFAOYSA-N 2 2 293.371 -0.079 20 0 CBADLP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000569356406 327161907 /nfs/dbraw/zinc/16/19/07/327161907.db2.gz ACUHNVHQKVFYTK-UHFFFAOYSA-N 2 2 293.371 -0.079 20 0 CBADLP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000569356406 327161909 /nfs/dbraw/zinc/16/19/09/327161909.db2.gz ACUHNVHQKVFYTK-UHFFFAOYSA-N 2 2 293.371 -0.079 20 0 CBADLP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000569356406 327161910 /nfs/dbraw/zinc/16/19/10/327161910.db2.gz ACUHNVHQKVFYTK-UHFFFAOYSA-N 2 2 293.371 -0.079 20 0 CBADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+][C@H]2CCC(=O)N(C)C2)C[C@H](C)O1 ZINC000569475922 327183235 /nfs/dbraw/zinc/18/32/35/327183235.db2.gz OVKVZIJOKBTGMF-RFQIPJPRSA-N 2 2 299.415 -0.333 20 0 CBADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+][C@H]2CCC(=O)N(C)C2)C[C@H](C)O1 ZINC000569475922 327183236 /nfs/dbraw/zinc/18/32/36/327183236.db2.gz OVKVZIJOKBTGMF-RFQIPJPRSA-N 2 2 299.415 -0.333 20 0 CBADLP C[C@H](O)C[N@@H+]1CCN(C(=O)Cn2cc[nH+]c2)[C@@H](C)C1 ZINC000569522777 327191334 /nfs/dbraw/zinc/19/13/34/327191334.db2.gz CVAHVRJZQGEXRG-RYUDHWBXSA-N 2 2 266.345 -0.203 20 0 CBADLP C[C@H](O)C[N@H+]1CCN(C(=O)Cn2cc[nH+]c2)[C@@H](C)C1 ZINC000569522777 327191336 /nfs/dbraw/zinc/19/13/36/327191336.db2.gz CVAHVRJZQGEXRG-RYUDHWBXSA-N 2 2 266.345 -0.203 20 0 CBADLP CC(=O)N1CCC[C@@H]1C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000577373915 327259226 /nfs/dbraw/zinc/25/92/26/327259226.db2.gz XRYIFTRMVUQREO-VXGBXAGGSA-N 2 2 268.361 -0.901 20 0 CBADLP CC(=O)N1CCC[C@@H]1C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000577373915 327259227 /nfs/dbraw/zinc/25/92/27/327259227.db2.gz XRYIFTRMVUQREO-VXGBXAGGSA-N 2 2 268.361 -0.901 20 0 CBADLP C[C@@H](c1nnnn1C)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000577730956 327280106 /nfs/dbraw/zinc/28/01/06/327280106.db2.gz ITVCSKVPYUXSDK-VHSXEESVSA-N 2 2 281.364 -0.942 20 0 CBADLP C[C@@H](c1nnnn1C)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000577730956 327280107 /nfs/dbraw/zinc/28/01/07/327280107.db2.gz ITVCSKVPYUXSDK-VHSXEESVSA-N 2 2 281.364 -0.942 20 0 CBADLP C[NH+](C)CCOCCNC(=O)[C@@H]([NH3+])c1cscn1 ZINC000577727479 327280245 /nfs/dbraw/zinc/28/02/45/327280245.db2.gz MBTUUNJZDHCYLR-JTQLQIEISA-N 2 2 272.374 -0.163 20 0 CBADLP CCOC[C@H](O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000569617988 327324081 /nfs/dbraw/zinc/32/40/81/327324081.db2.gz APZSOJXHTZJQGO-LLVKDONJSA-N 2 2 254.334 -0.071 20 0 CBADLP CC[C@H]1C[N@H+](CCNC(=O)NC2C[NH2+]C2)CCO1 ZINC000583371532 327328493 /nfs/dbraw/zinc/32/84/93/327328493.db2.gz VFCIZZLCUKQJIM-NSHDSACASA-N 2 2 256.350 -0.632 20 0 CBADLP CC[C@H]1C[N@@H+](CCNC(=O)NC2C[NH2+]C2)CCO1 ZINC000583371532 327328495 /nfs/dbraw/zinc/32/84/95/327328495.db2.gz VFCIZZLCUKQJIM-NSHDSACASA-N 2 2 256.350 -0.632 20 0 CBADLP C[NH2+][C@H]1CCCN(C(=O)C[N@H+](C)CC(=O)NC(C)C)C1 ZINC000583380027 327334259 /nfs/dbraw/zinc/33/42/59/327334259.db2.gz DSBVNPIPIVZJBF-LBPRGKRZSA-N 2 2 284.404 -0.347 20 0 CBADLP C[NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)CC(=O)NC(C)C)C1 ZINC000583380027 327334260 /nfs/dbraw/zinc/33/42/60/327334260.db2.gz DSBVNPIPIVZJBF-LBPRGKRZSA-N 2 2 284.404 -0.347 20 0 CBADLP O=C(CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[NH2+]CC1 ZINC000574519647 327342106 /nfs/dbraw/zinc/34/21/06/327342106.db2.gz XWQVSRIHKKTMCW-OLZOCXBDSA-N 3 2 266.389 -0.365 20 0 CBADLP O=C(CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[NH2+]CC1 ZINC000574519647 327342108 /nfs/dbraw/zinc/34/21/08/327342108.db2.gz XWQVSRIHKKTMCW-OLZOCXBDSA-N 3 2 266.389 -0.365 20 0 CBADLP CO[C@H](C)CCNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000561155961 327369903 /nfs/dbraw/zinc/36/99/03/327369903.db2.gz LJKMLHMUXCVICQ-MNOVXSKESA-N 2 2 258.366 -0.304 20 0 CBADLP CO[C@H](C)CCNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000561155961 327369904 /nfs/dbraw/zinc/36/99/04/327369904.db2.gz LJKMLHMUXCVICQ-MNOVXSKESA-N 2 2 258.366 -0.304 20 0 CBADLP O=C(C[NH+]1CCN(c2[nH]cc[nH+]2)CC1)NC(=O)NC1CC1 ZINC000569821624 327550004 /nfs/dbraw/zinc/55/00/04/327550004.db2.gz AKWCNGZPYQHCNX-UHFFFAOYSA-N 2 2 292.343 -0.480 20 0 CBADLP CCN1CCN(C(=O)NC2C[NH2+]C2)C[C@H]1c1[nH]cc[nH+]1 ZINC000570618734 327603939 /nfs/dbraw/zinc/60/39/39/327603939.db2.gz OXTRCALGVQHJDM-NSHDSACASA-N 2 2 278.360 -0.230 20 0 CBADLP COC(=O)CC1([NH2+]CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000583568187 328614117 /nfs/dbraw/zinc/61/41/17/328614117.db2.gz ZWBIKGHUGOGGDB-UHFFFAOYSA-N 2 2 269.345 -0.554 20 0 CBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)Cn1cc[nH+]c1 ZINC000582275096 328945166 /nfs/dbraw/zinc/94/51/66/328945166.db2.gz HJPPJRAFXHPQMD-LBPRGKRZSA-N 2 2 282.344 -0.965 20 0 CBADLP C[N@@H+](C[C@@H](O)C[NH2+]CC(=O)NCC1CC1)C1CC1 ZINC000393071824 329066693 /nfs/dbraw/zinc/06/66/93/329066693.db2.gz MSKSPOAKPNWFCB-LBPRGKRZSA-N 2 2 255.362 -0.443 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+](C)CCCN1CC[NH+](C)CC1 ZINC000582495023 329100465 /nfs/dbraw/zinc/10/04/65/329100465.db2.gz SYDZNWJGRDUZBY-OAHLLOKOSA-N 3 2 286.464 -0.132 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)CCCN1CC[NH+](C)CC1 ZINC000582495023 329100466 /nfs/dbraw/zinc/10/04/66/329100466.db2.gz SYDZNWJGRDUZBY-OAHLLOKOSA-N 3 2 286.464 -0.132 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000582495023 329100468 /nfs/dbraw/zinc/10/04/68/329100468.db2.gz SYDZNWJGRDUZBY-OAHLLOKOSA-N 3 2 286.464 -0.132 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000582495023 329100470 /nfs/dbraw/zinc/10/04/70/329100470.db2.gz SYDZNWJGRDUZBY-OAHLLOKOSA-N 3 2 286.464 -0.132 20 0 CBADLP C[C@@]1(C[NH3+])CC[N@H+](CC(=O)NC[C@H]2CCCO2)C1 ZINC000394063929 329100828 /nfs/dbraw/zinc/10/08/28/329100828.db2.gz SYYPCFZKLLGVIT-YPMHNXCESA-N 2 2 255.362 -0.048 20 0 CBADLP C[C@@]1(C[NH3+])CC[N@@H+](CC(=O)NC[C@H]2CCCO2)C1 ZINC000394063929 329100829 /nfs/dbraw/zinc/10/08/29/329100829.db2.gz SYYPCFZKLLGVIT-YPMHNXCESA-N 2 2 255.362 -0.048 20 0 CBADLP C[C@@]1(C[NH3+])CC[N@H+](CC(=O)NC[C@@H]2CCCO2)C1 ZINC000394063926 329100907 /nfs/dbraw/zinc/10/09/07/329100907.db2.gz SYYPCFZKLLGVIT-AAEUAGOBSA-N 2 2 255.362 -0.048 20 0 CBADLP C[C@@]1(C[NH3+])CC[N@@H+](CC(=O)NC[C@@H]2CCCO2)C1 ZINC000394063926 329100909 /nfs/dbraw/zinc/10/09/09/329100909.db2.gz SYYPCFZKLLGVIT-AAEUAGOBSA-N 2 2 255.362 -0.048 20 0 CBADLP C[NH2+][C@@H](C)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000583273487 329418122 /nfs/dbraw/zinc/41/81/22/329418122.db2.gz SIFUGBJTBKZTTK-AAEUAGOBSA-N 2 2 287.429 -0.082 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000572360811 330004124 /nfs/dbraw/zinc/00/41/24/330004124.db2.gz LMXOWKPFAJQTBG-CHWSQXEVSA-N 2 2 294.399 -0.734 20 0 CBADLP C[N@@H+]1CCN(C(=O)CC[C@@H]2CCOC2)[C@H](C[NH3+])C1 ZINC000162505729 330063195 /nfs/dbraw/zinc/06/31/95/330063195.db2.gz DMKRHDZCCHKNLT-VXGBXAGGSA-N 2 2 255.362 -0.096 20 0 CBADLP C[N@H+]1CCN(C(=O)CC[C@@H]2CCOC2)[C@H](C[NH3+])C1 ZINC000162505729 330063196 /nfs/dbraw/zinc/06/31/96/330063196.db2.gz DMKRHDZCCHKNLT-VXGBXAGGSA-N 2 2 255.362 -0.096 20 0 CBADLP C[N@H+]1CCN(C(=O)CN2CCCCCC2=O)[C@H](C[NH3+])C1 ZINC000575399529 335100316 /nfs/dbraw/zinc/10/03/16/335100316.db2.gz FIWQEKJIUAQVAV-GFCCVEGCSA-N 2 2 282.388 -0.510 20 0 CBADLP CC[N@H+](C)C[C@@H](O)CN(C)CC[NH+]1CCOCC1 ZINC000575739661 335110389 /nfs/dbraw/zinc/11/03/89/335110389.db2.gz NXOSOTRECOUZHZ-CYBMUJFWSA-N 2 2 259.394 -0.437 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)CN(C)CC[NH+]1CCOCC1 ZINC000575739661 335110390 /nfs/dbraw/zinc/11/03/90/335110390.db2.gz NXOSOTRECOUZHZ-CYBMUJFWSA-N 2 2 259.394 -0.437 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+](C)CCN1CCOCC1 ZINC000575739661 335110392 /nfs/dbraw/zinc/11/03/92/335110392.db2.gz NXOSOTRECOUZHZ-CYBMUJFWSA-N 2 2 259.394 -0.437 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)CCN1CCOCC1 ZINC000575739661 335110394 /nfs/dbraw/zinc/11/03/94/335110394.db2.gz NXOSOTRECOUZHZ-CYBMUJFWSA-N 2 2 259.394 -0.437 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@H+](C)CCN1CCOCC1 ZINC000575739661 335110395 /nfs/dbraw/zinc/11/03/95/335110395.db2.gz NXOSOTRECOUZHZ-CYBMUJFWSA-N 2 2 259.394 -0.437 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)CCN1CCOCC1 ZINC000575739661 335110397 /nfs/dbraw/zinc/11/03/97/335110397.db2.gz NXOSOTRECOUZHZ-CYBMUJFWSA-N 2 2 259.394 -0.437 20 0 CBADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000553094016 334361106 /nfs/dbraw/zinc/36/11/06/334361106.db2.gz SOUBMWKQNMEAMS-OCCSQVGLSA-N 2 2 291.399 -0.193 20 0 CBADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000553094016 334361108 /nfs/dbraw/zinc/36/11/08/334361108.db2.gz SOUBMWKQNMEAMS-OCCSQVGLSA-N 2 2 291.399 -0.193 20 0 CBADLP CN1CC[NH2+]C[C@@H]1CNC(=O)[C@H]([NH3+])c1c(F)cccc1F ZINC000572521732 333115317 /nfs/dbraw/zinc/11/53/17/333115317.db2.gz QZDSATPNFUHNKZ-NOZJJQNGSA-N 2 2 298.337 -0.016 20 0 CBADLP Cc1noc(CC[NH2+]C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)n1 ZINC000575916539 335130573 /nfs/dbraw/zinc/13/05/73/335130573.db2.gz MOSTZZNBYHILHM-GVXVVHGQSA-N 2 2 298.387 -0.020 20 0 CBADLP COC[C@@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000251926161 334371959 /nfs/dbraw/zinc/37/19/59/334371959.db2.gz SRTUOOJQNNYQKV-STQMWFEESA-N 2 2 285.388 -0.504 20 0 CBADLP COC[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000251926161 334371961 /nfs/dbraw/zinc/37/19/61/334371961.db2.gz SRTUOOJQNNYQKV-STQMWFEESA-N 2 2 285.388 -0.504 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000091538624 334380199 /nfs/dbraw/zinc/38/01/99/334380199.db2.gz KZJKVKAHGLZCGJ-AWEZNQCLSA-N 2 2 298.431 -0.587 20 0 CBADLP C[C@@H](CN1CCOCC1)[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000091538624 334380201 /nfs/dbraw/zinc/38/02/01/334380201.db2.gz KZJKVKAHGLZCGJ-AWEZNQCLSA-N 2 2 298.431 -0.587 20 0 CBADLP O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000565254728 334548392 /nfs/dbraw/zinc/54/83/92/334548392.db2.gz OSVMRCPDGHAPAY-NSHDSACASA-N 2 2 291.355 -0.406 20 0 CBADLP C[NH2+]C[C@@](C)(O)C[NH+]1CCN(c2cccnn2)CC1 ZINC000565425749 334562849 /nfs/dbraw/zinc/56/28/49/334562849.db2.gz HAYMNPOGEUQWQV-CYBMUJFWSA-N 2 2 265.361 -0.431 20 0 CBADLP C[NH2+][C@@H](C)C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000566470088 334651186 /nfs/dbraw/zinc/65/11/86/334651186.db2.gz IEJJFDGOHTZGBR-VIFPVBQESA-N 2 2 256.350 -0.998 20 0 CBADLP C[C@H](NC(=O)Cn1cc[nH+]c1)C(=O)NCC[NH+](C)C ZINC000567122388 334682979 /nfs/dbraw/zinc/68/29/79/334682979.db2.gz FYZGIGIHSRAQHR-JTQLQIEISA-N 2 2 267.333 -0.934 20 0 CBADLP Cn1cc[nH+]c1N1CC[NH+]([C@@H]2COC[C@H]2O)CC1 ZINC000572706740 334872935 /nfs/dbraw/zinc/87/29/35/334872935.db2.gz JLMYUUSRRWSXGL-GHMZBOCLSA-N 2 2 252.318 -0.698 20 0 CBADLP C[NH2+]CCCNC(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000576344238 335191915 /nfs/dbraw/zinc/19/19/15/335191915.db2.gz AOAKXEGYWIEMGJ-UHFFFAOYSA-N 2 2 258.366 -0.832 20 0 CBADLP C[NH2+]CCCNC(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000576344238 335191916 /nfs/dbraw/zinc/19/19/16/335191916.db2.gz AOAKXEGYWIEMGJ-UHFFFAOYSA-N 2 2 258.366 -0.832 20 0 CBADLP CC[NH2+]CCCNC(=O)NCC[NH+]1CCOCC1 ZINC000576329408 335190296 /nfs/dbraw/zinc/19/02/96/335190296.db2.gz FUNAFQOHMUGRKG-UHFFFAOYSA-N 2 2 258.366 -0.383 20 0 CBADLP C[C@@H](CC(=O)NC[C@@H]1C[NH2+]CCO1)n1cc[nH+]c1 ZINC000576355992 335193729 /nfs/dbraw/zinc/19/37/29/335193729.db2.gz WVKUZYNRXLXUKL-QWRGUYRKSA-N 2 2 252.318 -0.061 20 0 CBADLP CNC(=O)C[C@H](C)[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000576391711 335197419 /nfs/dbraw/zinc/19/74/19/335197419.db2.gz VYZNTWUBEHBNMI-WUHRBBMRSA-N 2 2 287.404 -0.429 20 0 CBADLP CNC(=O)C[C@H](C)[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000576391711 335197420 /nfs/dbraw/zinc/19/74/20/335197420.db2.gz VYZNTWUBEHBNMI-WUHRBBMRSA-N 2 2 287.404 -0.429 20 0 CBADLP C1C[C@@H]([C@@H]2COCC[NH2+]2)[C@@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000576399515 335198982 /nfs/dbraw/zinc/19/89/82/335198982.db2.gz MUEVPHQCOWDXRZ-BSOLPCOYSA-N 3 2 251.374 -0.049 20 0 CBADLP COCC[C@H](CO)[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000576517745 335213747 /nfs/dbraw/zinc/21/37/47/335213747.db2.gz OYBDCMHVJBQFJN-SYQHCUMBSA-N 2 2 290.404 -0.557 20 0 CBADLP CC(C)OCC[C@@H](O)C[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000576629736 335227740 /nfs/dbraw/zinc/22/77/40/335227740.db2.gz DSPCDUUXDRIQFZ-ZIAGYGMSSA-N 2 2 273.421 -0.002 20 0 CBADLP CC(C)OCC[C@@H](O)C[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000576629736 335227742 /nfs/dbraw/zinc/22/77/42/335227742.db2.gz DSPCDUUXDRIQFZ-ZIAGYGMSSA-N 2 2 273.421 -0.002 20 0 CBADLP C[N@@H+]1CCN(C(=O)[C@@H]2CCCCC(=O)N2)[C@H](C[NH3+])C1 ZINC000576635102 335228521 /nfs/dbraw/zinc/22/85/21/335228521.db2.gz ZNMIAUDRZKGRAR-MNOVXSKESA-N 2 2 268.361 -0.854 20 0 CBADLP C[N@H+]1CCN(C(=O)[C@@H]2CCCCC(=O)N2)[C@H](C[NH3+])C1 ZINC000576635102 335228522 /nfs/dbraw/zinc/22/85/22/335228522.db2.gz ZNMIAUDRZKGRAR-MNOVXSKESA-N 2 2 268.361 -0.854 20 0 CBADLP C[C@H]1C[NH2+]CCN1C(=O)c1cc([C@H]2CC[NH2+]C2)[nH]n1 ZINC000576635258 335228657 /nfs/dbraw/zinc/22/86/57/335228657.db2.gz MOLGKMMSUSJDCQ-UWVGGRQHSA-N 2 2 263.345 -0.080 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000576753262 335243415 /nfs/dbraw/zinc/24/34/15/335243415.db2.gz FEWFFYMCANICDO-QWHCGFSZSA-N 2 2 298.431 -0.053 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000576753262 335243417 /nfs/dbraw/zinc/24/34/17/335243417.db2.gz FEWFFYMCANICDO-QWHCGFSZSA-N 2 2 298.431 -0.053 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000576753261 335243467 /nfs/dbraw/zinc/24/34/67/335243467.db2.gz FEWFFYMCANICDO-OLZOCXBDSA-N 2 2 298.431 -0.053 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000576753261 335243469 /nfs/dbraw/zinc/24/34/69/335243469.db2.gz FEWFFYMCANICDO-OLZOCXBDSA-N 2 2 298.431 -0.053 20 0 CBADLP CC[C@H](C)NC(=O)CCNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000576807512 335249684 /nfs/dbraw/zinc/24/96/84/335249684.db2.gz ZHGIZZVZJARXJH-RYUDHWBXSA-N 2 2 299.419 -0.425 20 0 CBADLP C[N@@H+]1CCN(C(=O)CNC(=O)CC(C)(C)C)[C@@H](C[NH3+])C1 ZINC000580549213 335276410 /nfs/dbraw/zinc/27/64/10/335276410.db2.gz BHLOLLFWXSVFGQ-NSHDSACASA-N 2 2 284.404 -0.360 20 0 CBADLP C[N@H+]1CCN(C(=O)CNC(=O)CC(C)(C)C)[C@@H](C[NH3+])C1 ZINC000580549213 335276411 /nfs/dbraw/zinc/27/64/11/335276411.db2.gz BHLOLLFWXSVFGQ-NSHDSACASA-N 2 2 284.404 -0.360 20 0 CBADLP C[C@@H]1C[C@H](NC(=O)CN2CC[NH2+]CC2=O)CC[N@H+]1C ZINC000580560467 335281065 /nfs/dbraw/zinc/28/10/65/335281065.db2.gz HIYIAFSDOMRKRS-GHMZBOCLSA-N 2 2 268.361 -0.983 20 0 CBADLP C[C@H]1C[C@@H](C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])CC[NH2+]1 ZINC000580561843 335281852 /nfs/dbraw/zinc/28/18/52/335281852.db2.gz ZSPVVPKYYAQMDM-SDDRHHMPSA-N 3 2 254.378 -0.524 20 0 CBADLP C[C@H]1C[C@@H](C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])CC[NH2+]1 ZINC000580561843 335281853 /nfs/dbraw/zinc/28/18/53/335281853.db2.gz ZSPVVPKYYAQMDM-SDDRHHMPSA-N 3 2 254.378 -0.524 20 0 CBADLP CCNC(=O)NC(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000577111802 335302083 /nfs/dbraw/zinc/30/20/83/335302083.db2.gz RIZVJMHCEGPDBH-CYBMUJFWSA-N 2 2 268.361 -0.092 20 0 CBADLP CCNC(=O)NC(=O)C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000577111802 335302085 /nfs/dbraw/zinc/30/20/85/335302085.db2.gz RIZVJMHCEGPDBH-CYBMUJFWSA-N 2 2 268.361 -0.092 20 0 CBADLP COC(=O)c1ccc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)[nH]1 ZINC000580658639 335314631 /nfs/dbraw/zinc/31/46/31/335314631.db2.gz IJDLRALMEAONSK-GHMZBOCLSA-N 2 2 292.339 -0.455 20 0 CBADLP COC(=O)c1ccc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)[nH]1 ZINC000580658639 335314633 /nfs/dbraw/zinc/31/46/33/335314633.db2.gz IJDLRALMEAONSK-GHMZBOCLSA-N 2 2 292.339 -0.455 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000577367235 335343194 /nfs/dbraw/zinc/34/31/94/335343194.db2.gz KCHXHDGDKQXIEE-NWDGAFQWSA-N 2 2 270.377 -0.242 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000577367235 335343196 /nfs/dbraw/zinc/34/31/96/335343196.db2.gz KCHXHDGDKQXIEE-NWDGAFQWSA-N 2 2 270.377 -0.242 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177374879 335371306 /nfs/dbraw/zinc/37/13/06/335371306.db2.gz HVAWCROAWMSZQG-LLVKDONJSA-N 2 2 299.419 -0.472 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177374879 335371307 /nfs/dbraw/zinc/37/13/07/335371307.db2.gz HVAWCROAWMSZQG-LLVKDONJSA-N 2 2 299.419 -0.472 20 0 CBADLP C[C@H](C(=O)NC(N)=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000177374879 335371308 /nfs/dbraw/zinc/37/13/08/335371308.db2.gz HVAWCROAWMSZQG-LLVKDONJSA-N 2 2 299.419 -0.472 20 0 CBADLP C[C@H](C(=O)NC(N)=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000177374879 335371309 /nfs/dbraw/zinc/37/13/09/335371309.db2.gz HVAWCROAWMSZQG-LLVKDONJSA-N 2 2 299.419 -0.472 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)c1c[nH+]ccc1N ZINC000579594109 335816684 /nfs/dbraw/zinc/81/66/84/335816684.db2.gz ZIIFLWHBPURQIA-UHFFFAOYSA-N 2 2 264.329 -0.102 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)C[NH2+]C[C@@H]2CCCO2)CCO1 ZINC000581134540 336013548 /nfs/dbraw/zinc/01/35/48/336013548.db2.gz YFABREVRNDNAFC-STQMWFEESA-N 2 2 285.388 -0.408 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)C[NH2+]C[C@@H]2CCCO2)CCO1 ZINC000581134540 336013549 /nfs/dbraw/zinc/01/35/49/336013549.db2.gz YFABREVRNDNAFC-STQMWFEESA-N 2 2 285.388 -0.408 20 0 CBADLP C[C@@H]1CCCN(C(=O)C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C1 ZINC000581142633 336015253 /nfs/dbraw/zinc/01/52/53/336015253.db2.gz PNXSJTHAHQNTQD-UPJWGTAASA-N 2 2 294.399 -0.511 20 0 CBADLP C[C@@H]1CCCN(C(=O)C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C1 ZINC000581142633 336015254 /nfs/dbraw/zinc/01/52/54/336015254.db2.gz PNXSJTHAHQNTQD-UPJWGTAASA-N 2 2 294.399 -0.511 20 0 CBADLP C[N@@H+]1CCN(C(=O)COC2CCOCC2)[C@@H](C[NH3+])C1 ZINC000581249613 336031469 /nfs/dbraw/zinc/03/14/69/336031469.db2.gz AHPLFEDORAUORM-NSHDSACASA-N 2 2 271.361 -0.717 20 0 CBADLP C[N@H+]1CCN(C(=O)COC2CCOCC2)[C@@H](C[NH3+])C1 ZINC000581249613 336031470 /nfs/dbraw/zinc/03/14/70/336031470.db2.gz AHPLFEDORAUORM-NSHDSACASA-N 2 2 271.361 -0.717 20 0 CBADLP COC[C@]1(C(=O)N[C@@H](C)C[NH+]2CCOCC2)CC[NH2+]C1 ZINC000381170430 336053525 /nfs/dbraw/zinc/05/35/25/336053525.db2.gz OCHKMHYSDYFDFX-JSGCOSHPSA-N 2 2 285.388 -0.551 20 0 CBADLP C[C@H](CC(=O)NC[C@@H]1C[NH2+]CCN1C)n1cc[nH+]c1 ZINC000581376803 336064492 /nfs/dbraw/zinc/06/44/92/336064492.db2.gz FPDMXKFBYNXQTP-NEPJUHHUSA-N 2 2 265.361 -0.146 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+](C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000382396508 336086940 /nfs/dbraw/zinc/08/69/40/336086940.db2.gz WCBOSXBSRJBQBI-VXGBXAGGSA-N 2 2 293.433 -0.735 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000382396508 336086941 /nfs/dbraw/zinc/08/69/41/336086941.db2.gz WCBOSXBSRJBQBI-VXGBXAGGSA-N 2 2 293.433 -0.735 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000382396508 336086943 /nfs/dbraw/zinc/08/69/43/336086943.db2.gz WCBOSXBSRJBQBI-VXGBXAGGSA-N 2 2 293.433 -0.735 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000382396508 336086945 /nfs/dbraw/zinc/08/69/45/336086945.db2.gz WCBOSXBSRJBQBI-VXGBXAGGSA-N 2 2 293.433 -0.735 20 0 CBADLP C[NH2+]C[C@H](C)C(=O)NC[C@H]1CCC[N@@H+](CC(=O)OC)C1 ZINC000581487605 336088187 /nfs/dbraw/zinc/08/81/87/336088187.db2.gz XOEHLNDWGJJZIL-NWDGAFQWSA-N 2 2 285.388 -0.157 20 0 CBADLP C[NH2+]C[C@H](C)C(=O)NC[C@H]1CCC[N@H+](CC(=O)OC)C1 ZINC000581487605 336088185 /nfs/dbraw/zinc/08/81/85/336088185.db2.gz XOEHLNDWGJJZIL-NWDGAFQWSA-N 2 2 285.388 -0.157 20 0 CBADLP C[NH2+]C[C@@H](C)C(=O)NC[C@@H]1CCC[N@H+](CC(=O)OC)C1 ZINC000581487604 336088200 /nfs/dbraw/zinc/08/82/00/336088200.db2.gz XOEHLNDWGJJZIL-NEPJUHHUSA-N 2 2 285.388 -0.157 20 0 CBADLP C[NH2+]C[C@@H](C)C(=O)NC[C@@H]1CCC[N@@H+](CC(=O)OC)C1 ZINC000581487604 336088202 /nfs/dbraw/zinc/08/82/02/336088202.db2.gz XOEHLNDWGJJZIL-NEPJUHHUSA-N 2 2 285.388 -0.157 20 0 CBADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)CC[NH2+]C2CC2)CC1 ZINC000581498733 336090499 /nfs/dbraw/zinc/09/04/99/336090499.db2.gz IOUIMRXLHGOOPB-UHFFFAOYSA-N 2 2 296.415 -0.201 20 0 CBADLP CCNC(=O)C[N@H+]1CCCN(C(=O)CC[NH2+]C2CC2)CC1 ZINC000581498733 336090501 /nfs/dbraw/zinc/09/05/01/336090501.db2.gz IOUIMRXLHGOOPB-UHFFFAOYSA-N 2 2 296.415 -0.201 20 0 CBADLP C[C@@H]1C[C@H](C)N(C(=O)CN2CC[NH2+]CC2=O)C[C@@H]1C[NH3+] ZINC000581601823 336109992 /nfs/dbraw/zinc/10/99/92/336109992.db2.gz FFXHASHBMLLXSZ-WOPDTQHZSA-N 2 2 282.388 -0.750 20 0 CBADLP Cc1sc(=O)n(CC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c1C ZINC000581606673 336111170 /nfs/dbraw/zinc/11/11/70/336111170.db2.gz ZHJLTORTIUUTIP-LLVKDONJSA-N 2 2 298.412 -0.372 20 0 CBADLP Cc1sc(=O)n(CC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c1C ZINC000581606673 336111171 /nfs/dbraw/zinc/11/11/71/336111171.db2.gz ZHJLTORTIUUTIP-LLVKDONJSA-N 2 2 298.412 -0.372 20 0 CBADLP C[C@@H](C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])c1ccnn1C ZINC000581606539 336111220 /nfs/dbraw/zinc/11/12/20/336111220.db2.gz RWVFBLVPASEPDT-GHMZBOCLSA-N 2 2 265.361 -0.375 20 0 CBADLP C[C@@H](C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1ccnn1C ZINC000581606539 336111222 /nfs/dbraw/zinc/11/12/22/336111222.db2.gz RWVFBLVPASEPDT-GHMZBOCLSA-N 2 2 265.361 -0.375 20 0 CBADLP CN(CCCn1cc[nH+]c1)C(=O)COC1C[NH2+]C1 ZINC000581665713 336120770 /nfs/dbraw/zinc/12/07/70/336120770.db2.gz DFJKUQLWKDLEPN-UHFFFAOYSA-N 2 2 252.318 -0.280 20 0 CBADLP CCOC(=O)CC[C@H](O)C[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000385617720 336152828 /nfs/dbraw/zinc/15/28/28/336152828.db2.gz DHZITGHHXHLPGV-STQMWFEESA-N 2 2 287.404 -0.474 20 0 CBADLP CCOC(=O)CC[C@H](O)C[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000385617720 336152826 /nfs/dbraw/zinc/15/28/26/336152826.db2.gz DHZITGHHXHLPGV-STQMWFEESA-N 2 2 287.404 -0.474 20 0 CBADLP CC[C@@H]1[C@@H](CO)CC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000385888294 336159557 /nfs/dbraw/zinc/15/95/57/336159557.db2.gz CQSCDIVKDDVJNE-CHWSQXEVSA-N 2 2 269.389 -0.147 20 0 CBADLP CC[C@@H]1[C@@H](CO)CC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000385888294 336159558 /nfs/dbraw/zinc/15/95/58/336159558.db2.gz CQSCDIVKDDVJNE-CHWSQXEVSA-N 2 2 269.389 -0.147 20 0 CBADLP CC[NH+]1CCC([N@H+](C)CCN2C(=O)CNC2=O)CC1 ZINC000157444411 521562459 /nfs/dbraw/zinc/56/24/59/521562459.db2.gz GXHFVPNOKRSCHO-UHFFFAOYSA-N 2 2 268.361 -0.046 20 0 CBADLP CC[NH+]1CCC([N@@H+](C)CCN2C(=O)CNC2=O)CC1 ZINC000157444411 521562465 /nfs/dbraw/zinc/56/24/65/521562465.db2.gz GXHFVPNOKRSCHO-UHFFFAOYSA-N 2 2 268.361 -0.046 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NCCn1cc[nH+]c1 ZINC000273031070 533847864 /nfs/dbraw/zinc/84/78/64/533847864.db2.gz DNVOXNCUQZLCFK-LBPRGKRZSA-N 2 2 266.345 -0.032 20 0 CBADLP O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)NC[C@@H]1CCC[NH2+]1 ZINC000333846048 534344389 /nfs/dbraw/zinc/34/43/89/534344389.db2.gz PEBJYDXYESRMCQ-RWMBFGLXSA-N 2 2 282.388 -0.099 20 0 CBADLP O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)NC[C@@H]1CCC[NH2+]1 ZINC000333846048 534344390 /nfs/dbraw/zinc/34/43/90/534344390.db2.gz PEBJYDXYESRMCQ-RWMBFGLXSA-N 2 2 282.388 -0.099 20 0 CBADLP CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000163849278 521741085 /nfs/dbraw/zinc/74/10/85/521741085.db2.gz OLWRIQDSMOACLV-NXEZZACHSA-N 2 2 256.350 -0.251 20 0 CBADLP CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000163849278 521741086 /nfs/dbraw/zinc/74/10/86/521741086.db2.gz OLWRIQDSMOACLV-NXEZZACHSA-N 2 2 256.350 -0.251 20 0 CBADLP Cn1cc[nH+]c1CNC(=O)NCCC[NH+]1CCOCC1 ZINC000264010937 534787588 /nfs/dbraw/zinc/78/75/88/534787588.db2.gz BJNACMSAGLQIRU-UHFFFAOYSA-N 2 2 281.360 -0.058 20 0 CBADLP CC(=O)N1CC[C@@H](C[N@@H+](C)CC(=O)N2CC[NH+](C)CC2)C1 ZINC000357394512 534806703 /nfs/dbraw/zinc/80/67/03/534806703.db2.gz WGYNUYYSRNQCKK-AWEZNQCLSA-N 2 2 296.415 -0.439 20 0 CBADLP CC(=O)N1CC[C@@H](C[N@H+](C)CC(=O)N2CC[NH+](C)CC2)C1 ZINC000357394512 534806709 /nfs/dbraw/zinc/80/67/09/534806709.db2.gz WGYNUYYSRNQCKK-AWEZNQCLSA-N 2 2 296.415 -0.439 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)CC[C@H]2CCC[NH2+]2)CC1 ZINC000494651780 526625243 /nfs/dbraw/zinc/62/52/43/526625243.db2.gz VPZLYBJCWFTJOS-CQSZACIVSA-N 2 2 296.415 -0.201 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000342717536 526625948 /nfs/dbraw/zinc/62/59/48/526625948.db2.gz VRTONAIWANHLPD-JSGCOSHPSA-N 2 2 296.415 -0.345 20 0 CBADLP CC(C)(C[NH3+])NC(=O)c1cnn(CC[NH+]2CCOCC2)c1 ZINC000377131130 527077330 /nfs/dbraw/zinc/07/73/30/527077330.db2.gz ZQZORMCUGDSTRG-UHFFFAOYSA-N 2 2 295.387 -0.318 20 0 CBADLP [NH3+][C@@H]1CCC[C@@H](C(=O)NCC[NH+]2CCOCC2)C1 ZINC000055086306 527350176 /nfs/dbraw/zinc/35/01/76/527350176.db2.gz KBMUASJPSLKYTC-VXGBXAGGSA-N 2 2 255.362 -0.048 20 0 CBADLP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000304931416 529004299 /nfs/dbraw/zinc/00/42/99/529004299.db2.gz CUSCLGAKVOALPA-ZDUSSCGKSA-N 2 2 269.389 -0.003 20 0 CBADLP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000304931416 529004304 /nfs/dbraw/zinc/00/43/04/529004304.db2.gz CUSCLGAKVOALPA-ZDUSSCGKSA-N 2 2 269.389 -0.003 20 0 CBADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3OCC[NH+](C)[C@@H]3C2)C1 ZINC000354930711 529052521 /nfs/dbraw/zinc/05/25/21/529052521.db2.gz NGFHECDLXNRPFT-MCIONIFRSA-N 2 2 297.399 -0.363 20 0 CBADLP CC(C)[N@H+]1CCO[C@H](C(=O)N2C[C@H]3OCC[NH+](C)[C@@H]3C2)C1 ZINC000354930711 529052526 /nfs/dbraw/zinc/05/25/26/529052526.db2.gz NGFHECDLXNRPFT-MCIONIFRSA-N 2 2 297.399 -0.363 20 0 CBADLP CC(C)[NH+]1CCO[C@H](C(=O)N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)C1 ZINC000354930711 529052531 /nfs/dbraw/zinc/05/25/31/529052531.db2.gz NGFHECDLXNRPFT-MCIONIFRSA-N 2 2 297.399 -0.363 20 0 CBADLP CC(C)[NH+]1CCO[C@H](C(=O)N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)C1 ZINC000354930711 529052533 /nfs/dbraw/zinc/05/25/33/529052533.db2.gz NGFHECDLXNRPFT-MCIONIFRSA-N 2 2 297.399 -0.363 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@H](CC(N)=O)C2)CC1 ZINC000377602661 529130925 /nfs/dbraw/zinc/13/09/25/529130925.db2.gz FWQLKWZUVMMFTO-CHWSQXEVSA-N 2 2 296.415 -0.264 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@H](CC(N)=O)C2)CC1 ZINC000377602661 529130929 /nfs/dbraw/zinc/13/09/29/529130929.db2.gz FWQLKWZUVMMFTO-CHWSQXEVSA-N 2 2 296.415 -0.264 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H](CC(N)=O)C2)CC1 ZINC000377602665 529132180 /nfs/dbraw/zinc/13/21/80/529132180.db2.gz FWQLKWZUVMMFTO-QWHCGFSZSA-N 2 2 296.415 -0.264 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H](CC(N)=O)C2)CC1 ZINC000377602665 529132182 /nfs/dbraw/zinc/13/21/82/529132182.db2.gz FWQLKWZUVMMFTO-QWHCGFSZSA-N 2 2 296.415 -0.264 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)CC1 ZINC000366431431 529132588 /nfs/dbraw/zinc/13/25/88/529132588.db2.gz JIGSARBQKRXFHG-IGQOVBAYSA-N 2 2 281.400 -0.291 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)CC1 ZINC000366431431 529132589 /nfs/dbraw/zinc/13/25/89/529132589.db2.gz JIGSARBQKRXFHG-IGQOVBAYSA-N 2 2 281.400 -0.291 20 0 CBADLP CCC[C@@](C)([NH3+])C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000262600506 535521262 /nfs/dbraw/zinc/52/12/62/535521262.db2.gz YJJOMFRXPHDJDY-TZMCWYRMSA-N 2 2 287.404 -0.345 20 0 CBADLP CC[C@]1(C(=O)N2CC[NH+](CCO)CC2)CCC[NH2+]1 ZINC000215622570 535879424 /nfs/dbraw/zinc/87/94/24/535879424.db2.gz ZZVLLPGUPHXFKO-CYBMUJFWSA-N 2 2 255.362 -0.345 20 0 CBADLP CO[C@H](C[NH3+])CC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000232120339 536563189 /nfs/dbraw/zinc/56/31/89/536563189.db2.gz RIVLDYLWCRUMAN-RYUDHWBXSA-N 2 2 271.361 -0.717 20 0 CBADLP Cn1cnn(C[N@H+](C)CC2CC[NH+](C)CC2)c1=O ZINC000132422433 582123948 /nfs/dbraw/zinc/12/39/48/582123948.db2.gz HASBJVIVCSLUCI-UHFFFAOYSA-N 2 2 253.350 -0.187 20 0 CBADLP Cn1cnn(C[N@@H+](C)CC2CC[NH+](C)CC2)c1=O ZINC000132422433 582123949 /nfs/dbraw/zinc/12/39/49/582123949.db2.gz HASBJVIVCSLUCI-UHFFFAOYSA-N 2 2 253.350 -0.187 20 0 CBADLP C[C@H](CCCCO)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000398695975 582132227 /nfs/dbraw/zinc/13/22/27/582132227.db2.gz VUWDGZJCQVKDPS-GFCCVEGCSA-N 2 2 257.378 -0.099 20 0 CBADLP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CC(N)=O)CC1 ZINC000728867834 582144805 /nfs/dbraw/zinc/14/48/05/582144805.db2.gz SXVHFXXOZMJSNH-ZDUSSCGKSA-N 2 2 296.415 -0.120 20 0 CBADLP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CC(N)=O)CC1 ZINC000728867834 582144806 /nfs/dbraw/zinc/14/48/06/582144806.db2.gz SXVHFXXOZMJSNH-ZDUSSCGKSA-N 2 2 296.415 -0.120 20 0 CBADLP CCC[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000728867834 582144808 /nfs/dbraw/zinc/14/48/08/582144808.db2.gz SXVHFXXOZMJSNH-ZDUSSCGKSA-N 2 2 296.415 -0.120 20 0 CBADLP CCC[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000728867834 582144809 /nfs/dbraw/zinc/14/48/09/582144809.db2.gz SXVHFXXOZMJSNH-ZDUSSCGKSA-N 2 2 296.415 -0.120 20 0 CBADLP C[NH+]1CCN(CCCNC(=O)CC[NH+]2CCOCC2)CC1 ZINC000729303239 582146253 /nfs/dbraw/zinc/14/62/53/582146253.db2.gz HNEOILMFRUBESY-UHFFFAOYSA-N 2 2 298.431 -0.538 20 0 CBADLP CN1CC[NH+](CCCNC(=O)CC[NH+]2CCOCC2)CC1 ZINC000729303239 582146255 /nfs/dbraw/zinc/14/62/55/582146255.db2.gz HNEOILMFRUBESY-UHFFFAOYSA-N 2 2 298.431 -0.538 20 0 CBADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)CC[NH+]1CCOCC1 ZINC000730227296 582149541 /nfs/dbraw/zinc/14/95/41/582149541.db2.gz APIHKYFBDXXVHX-AWEZNQCLSA-N 2 2 298.431 -0.539 20 0 CBADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)CC[NH+]1CCOCC1 ZINC000730227296 582149542 /nfs/dbraw/zinc/14/95/42/582149542.db2.gz APIHKYFBDXXVHX-AWEZNQCLSA-N 2 2 298.431 -0.539 20 0 CBADLP CN1CC[N@H+](C)[C@@H](CNC(=S)NCC[NH+](C)C)C1 ZINC000731947564 582155738 /nfs/dbraw/zinc/15/57/38/582155738.db2.gz FOKFEIJERREYHS-NSHDSACASA-N 2 2 273.450 -0.742 20 0 CBADLP CN1CC[N@@H+](C)[C@@H](CNC(=S)NCC[NH+](C)C)C1 ZINC000731947564 582155739 /nfs/dbraw/zinc/15/57/39/582155739.db2.gz FOKFEIJERREYHS-NSHDSACASA-N 2 2 273.450 -0.742 20 0 CBADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC000732149812 582156762 /nfs/dbraw/zinc/15/67/62/582156762.db2.gz QXWALGZSJYWRHH-ZDUSSCGKSA-N 2 2 284.404 -0.929 20 0 CBADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC000732149812 582156764 /nfs/dbraw/zinc/15/67/64/582156764.db2.gz QXWALGZSJYWRHH-ZDUSSCGKSA-N 2 2 284.404 -0.929 20 0 CBADLP OCCO[C@@H]1CCC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000734640156 582172186 /nfs/dbraw/zinc/17/21/86/582172186.db2.gz PVZPRQSJTFJSOI-ZIAGYGMSSA-N 2 2 272.389 -0.084 20 0 CBADLP OCCO[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000734640156 582172188 /nfs/dbraw/zinc/17/21/88/582172188.db2.gz PVZPRQSJTFJSOI-ZIAGYGMSSA-N 2 2 272.389 -0.084 20 0 CBADLP C[N@@H+]1CC[C@H](C(=O)N2CC[NH+](CC[S@](C)=O)CC2)C1 ZINC000741288640 582268730 /nfs/dbraw/zinc/26/87/30/582268730.db2.gz JBEFWQRRDSWXAX-BUXKBTBVSA-N 2 2 287.429 -0.539 20 0 CBADLP C[N@H+]1CC[C@H](C(=O)N2CC[NH+](CC[S@](C)=O)CC2)C1 ZINC000741288640 582268731 /nfs/dbraw/zinc/26/87/31/582268731.db2.gz JBEFWQRRDSWXAX-BUXKBTBVSA-N 2 2 287.429 -0.539 20 0 CBADLP C[N@@H+]1CC[C@@H](C(=O)N2CC[NH+](CC[S@@](C)=O)CC2)C1 ZINC000741288641 582268831 /nfs/dbraw/zinc/26/88/31/582268831.db2.gz JBEFWQRRDSWXAX-CWTRNNRKSA-N 2 2 287.429 -0.539 20 0 CBADLP C[N@H+]1CC[C@@H](C(=O)N2CC[NH+](CC[S@@](C)=O)CC2)C1 ZINC000741288641 582268832 /nfs/dbraw/zinc/26/88/32/582268832.db2.gz JBEFWQRRDSWXAX-CWTRNNRKSA-N 2 2 287.429 -0.539 20 0 CBADLP C[NH+](C)CCCNC(=S)NC[C@H]1C[NH+]2CCN1CC2 ZINC000746544670 582284976 /nfs/dbraw/zinc/28/49/76/582284976.db2.gz OLWANLYNXPGXMB-LBPRGKRZSA-N 2 2 285.461 -0.598 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=S)NCC[NH+](C)C)CCO1 ZINC000751013193 582292430 /nfs/dbraw/zinc/29/24/30/582292430.db2.gz ALFONJDICLWGJR-NSHDSACASA-N 2 2 274.434 -0.267 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=S)NCC[NH+](C)C)CCO1 ZINC000751013193 582292431 /nfs/dbraw/zinc/29/24/31/582292431.db2.gz ALFONJDICLWGJR-NSHDSACASA-N 2 2 274.434 -0.267 20 0 CBADLP CO[C@H]1CC[N@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C1 ZINC000751945200 582294144 /nfs/dbraw/zinc/29/41/44/582294144.db2.gz JTGHHZXISUAETR-NSHDSACASA-N 2 2 296.371 -0.319 20 0 CBADLP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000755207876 582301089 /nfs/dbraw/zinc/30/10/89/582301089.db2.gz LFQDDOKBCOCRKY-UONOGXRCSA-N 2 2 269.389 -0.541 20 0 CBADLP O[C@H](C[NH+]1CCCC1)C[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000755207876 582301090 /nfs/dbraw/zinc/30/10/90/582301090.db2.gz LFQDDOKBCOCRKY-UONOGXRCSA-N 2 2 269.389 -0.541 20 0 CBADLP COCC1(O)CC[NH+](C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000759316341 582309709 /nfs/dbraw/zinc/30/97/09/582309709.db2.gz XRNRQIDQWLYFQE-CYBMUJFWSA-N 2 2 272.389 -0.084 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](C)[C@@H](C)C2)C1 ZINC000768848975 582334762 /nfs/dbraw/zinc/33/47/62/582334762.db2.gz XHTBQUIYABMBRJ-RYUDHWBXSA-N 2 2 255.362 -0.130 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[NH+](C)[C@@H](C)C2)C1 ZINC000768848975 582334763 /nfs/dbraw/zinc/33/47/63/582334763.db2.gz XHTBQUIYABMBRJ-RYUDHWBXSA-N 2 2 255.362 -0.130 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)N2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000768848975 582334764 /nfs/dbraw/zinc/33/47/64/582334764.db2.gz XHTBQUIYABMBRJ-RYUDHWBXSA-N 2 2 255.362 -0.130 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)N2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000768848975 582334765 /nfs/dbraw/zinc/33/47/65/582334765.db2.gz XHTBQUIYABMBRJ-RYUDHWBXSA-N 2 2 255.362 -0.130 20 0 CBADLP C[C@H](NC(=O)CC[NH+]1CCOCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000771091747 582340492 /nfs/dbraw/zinc/34/04/92/582340492.db2.gz KXHRKLXAZGVLRL-STQMWFEESA-N 2 2 285.388 -0.456 20 0 CBADLP C[C@H](NC(=O)CC[NH+]1CCOCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000771091747 582340493 /nfs/dbraw/zinc/34/04/93/582340493.db2.gz KXHRKLXAZGVLRL-STQMWFEESA-N 2 2 285.388 -0.456 20 0 CBADLP CON(C)C(=O)C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000774763926 582351329 /nfs/dbraw/zinc/35/13/29/582351329.db2.gz OQSPGBOSKVOUBC-ZIAGYGMSSA-N 2 2 298.431 -0.036 20 0 CBADLP CON(C)C(=O)C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000774763926 582351330 /nfs/dbraw/zinc/35/13/30/582351330.db2.gz OQSPGBOSKVOUBC-ZIAGYGMSSA-N 2 2 298.431 -0.036 20 0 CBADLP CC(C)(CO)[NH+]1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000778943428 582360003 /nfs/dbraw/zinc/36/00/03/582360003.db2.gz SOUYGLJFGNVIJJ-UHFFFAOYSA-N 2 2 299.415 -0.376 20 0 CBADLP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1CCO ZINC000779317886 582360873 /nfs/dbraw/zinc/36/08/73/582360873.db2.gz VCZFOWWIWVRSKN-GFCCVEGCSA-N 2 2 269.389 -0.004 20 0 CBADLP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[N@H+]1CCO ZINC000779317886 582360874 /nfs/dbraw/zinc/36/08/74/582360874.db2.gz VCZFOWWIWVRSKN-GFCCVEGCSA-N 2 2 269.389 -0.004 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2C[C@H]3C[C@@]3(CO)C2)CC1 ZINC000782620040 582370035 /nfs/dbraw/zinc/37/00/35/582370035.db2.gz UBGNUSIWWQCOOW-GUTXKFCHSA-N 2 2 281.400 -0.147 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2C[C@H]3C[C@@]3(CO)C2)CC1 ZINC000782620040 582370036 /nfs/dbraw/zinc/37/00/36/582370036.db2.gz UBGNUSIWWQCOOW-GUTXKFCHSA-N 2 2 281.400 -0.147 20 0 CBADLP C[C@H]1CN(C)C(=O)C[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000801547257 582424658 /nfs/dbraw/zinc/42/46/58/582424658.db2.gz LVWXOUPMMZAUST-LBPRGKRZSA-N 2 2 282.388 -0.687 20 0 CBADLP C[C@H]1CN(C)C(=O)C[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000801547257 582424659 /nfs/dbraw/zinc/42/46/59/582424659.db2.gz LVWXOUPMMZAUST-LBPRGKRZSA-N 2 2 282.388 -0.687 20 0 CBADLP O=C(N[C@H]1CCc2c[nH+]cn2C1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000804333132 582429849 /nfs/dbraw/zinc/42/98/49/582429849.db2.gz FYYARELTKVOAMI-GXTWGEPZSA-N 2 2 289.383 -0.296 20 0 CBADLP O=C(N[C@H]1CCc2c[nH+]cn2C1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000804333132 582429850 /nfs/dbraw/zinc/42/98/50/582429850.db2.gz FYYARELTKVOAMI-GXTWGEPZSA-N 2 2 289.383 -0.296 20 0 CBADLP C[C@@H](C[NH+](C)C)NC(=S)NCC[NH+]1CCOCC1 ZINC000806591619 582437249 /nfs/dbraw/zinc/43/72/49/582437249.db2.gz UTTAOPTWRVEECB-NSHDSACASA-N 2 2 274.434 -0.267 20 0 CBADLP C[C@@H](C[NH+](C)C)NC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000806664922 582437502 /nfs/dbraw/zinc/43/75/02/582437502.db2.gz CUPVWTAPKFMEEP-NWDGAFQWSA-N 2 2 272.393 -0.044 20 0 CBADLP C[C@@H](C[NH+](C)C)NC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000806664922 582437503 /nfs/dbraw/zinc/43/75/03/582437503.db2.gz CUPVWTAPKFMEEP-NWDGAFQWSA-N 2 2 272.393 -0.044 20 0 CBADLP Cn1ncc(C[N@H+](C)CCCN2CC[NH+](C)CC2)n1 ZINC000809967862 582447560 /nfs/dbraw/zinc/44/75/60/582447560.db2.gz JMHDHOUOQYTBNU-UHFFFAOYSA-N 2 2 266.393 -0.116 20 0 CBADLP Cn1ncc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)n1 ZINC000809967862 582447561 /nfs/dbraw/zinc/44/75/61/582447561.db2.gz JMHDHOUOQYTBNU-UHFFFAOYSA-N 2 2 266.393 -0.116 20 0 CBADLP C[NH+]1CCN(C(=O)CC[NH2+][C@@]2(C)CCOC2=O)CC1 ZINC000810097715 582448120 /nfs/dbraw/zinc/44/81/20/582448120.db2.gz LDPRJBQXBRZVAH-ZDUSSCGKSA-N 2 2 269.345 -0.554 20 0 CBADLP C[C@@H](NC(=O)NCc1c[nH+]cn1C)[C@H]1C[N@H+](C)CCO1 ZINC000811896054 582451543 /nfs/dbraw/zinc/45/15/43/582451543.db2.gz HJBBRGUIAOBBRD-ZYHUDNBSSA-N 2 2 281.360 -0.062 20 0 CBADLP C[C@@H](NC(=O)NCc1c[nH+]cn1C)[C@H]1C[N@@H+](C)CCO1 ZINC000811896054 582451544 /nfs/dbraw/zinc/45/15/44/582451544.db2.gz HJBBRGUIAOBBRD-ZYHUDNBSSA-N 2 2 281.360 -0.062 20 0 CBADLP CON(C)C(=O)CC[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000819088814 582526321 /nfs/dbraw/zinc/52/63/21/582526321.db2.gz FSEQEZPQPGWYCS-LBPRGKRZSA-N 2 2 273.377 -0.046 20 0 CBADLP O=C(CCn1cc[nH+]c1)N[C@H](CO)C[NH+]1CCCC1 ZINC000819837789 582543935 /nfs/dbraw/zinc/54/39/35/582543935.db2.gz RWWVMBWCQSDUJI-LBPRGKRZSA-N 2 2 266.345 -0.154 20 0 CBADLP C[NH+](C)CCCCC(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000820010485 582547359 /nfs/dbraw/zinc/54/73/59/582547359.db2.gz KBCLJGOVXRZHJS-CYBMUJFWSA-N 2 2 287.404 -0.472 20 0 CBADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@]2(C)CCC(=O)N2)CC1 ZINC000820608205 582576356 /nfs/dbraw/zinc/57/63/56/582576356.db2.gz DMZHJZMIXQXWPG-HNNXBMFYSA-N 2 2 296.415 -0.203 20 0 CBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C[NH+]1CCCC1 ZINC000820682943 582580217 /nfs/dbraw/zinc/58/02/17/582580217.db2.gz XPYYFFAFUSTEFL-ZDUSSCGKSA-N 2 2 285.388 -0.766 20 0 CBADLP C[N@@H+]1CC[C@H](CC(=O)NCCC[NH+]2CCNC(=O)C2)C1 ZINC000821245971 582596627 /nfs/dbraw/zinc/59/66/27/582596627.db2.gz GXEUMLGBMLUGSN-GFCCVEGCSA-N 2 2 282.388 -0.734 20 0 CBADLP C[N@H+]1CC[C@H](CC(=O)NCCC[NH+]2CCNC(=O)C2)C1 ZINC000821245971 582596628 /nfs/dbraw/zinc/59/66/28/582596628.db2.gz GXEUMLGBMLUGSN-GFCCVEGCSA-N 2 2 282.388 -0.734 20 0 CBADLP C[NH+]1CC[C@H](CC(=O)NCCC[N@@H+]2CCNC(=O)C2)C1 ZINC000821245971 582596629 /nfs/dbraw/zinc/59/66/29/582596629.db2.gz GXEUMLGBMLUGSN-GFCCVEGCSA-N 2 2 282.388 -0.734 20 0 CBADLP C[NH+]1CC[C@H](CC(=O)NCCC[N@H+]2CCNC(=O)C2)C1 ZINC000821245971 582596630 /nfs/dbraw/zinc/59/66/30/582596630.db2.gz GXEUMLGBMLUGSN-GFCCVEGCSA-N 2 2 282.388 -0.734 20 0 CBADLP C[C@H]1C[N@H+](CCO)CCN1C(=O)/C=C/c1cn(C)c[nH+]1 ZINC000822158745 582628324 /nfs/dbraw/zinc/62/83/24/582628324.db2.gz JZBAKUAZAWORHB-PCAWENJQSA-N 2 2 278.356 -0.042 20 0 CBADLP C[C@H]1C[N@@H+](CCO)CCN1C(=O)/C=C/c1cn(C)c[nH+]1 ZINC000822158745 582628325 /nfs/dbraw/zinc/62/83/25/582628325.db2.gz JZBAKUAZAWORHB-PCAWENJQSA-N 2 2 278.356 -0.042 20 0 CBADLP C[C@H]1C[N@H+](CCO)CCN1C(=O)/C=C\c1cn(C)c[nH+]1 ZINC000822158741 582628528 /nfs/dbraw/zinc/62/85/28/582628528.db2.gz JZBAKUAZAWORHB-MVZIDQBPSA-N 2 2 278.356 -0.042 20 0 CBADLP C[C@H]1C[N@@H+](CCO)CCN1C(=O)/C=C\c1cn(C)c[nH+]1 ZINC000822158741 582628532 /nfs/dbraw/zinc/62/85/32/582628532.db2.gz JZBAKUAZAWORHB-MVZIDQBPSA-N 2 2 278.356 -0.042 20 0 CBADLP COC(OC)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000824438667 582697337 /nfs/dbraw/zinc/69/73/37/582697337.db2.gz XDSZQXWXNPAQOE-UHFFFAOYSA-N 2 2 261.366 -0.395 20 0 CBADLP COC(OC)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000824438667 582697339 /nfs/dbraw/zinc/69/73/39/582697339.db2.gz XDSZQXWXNPAQOE-UHFFFAOYSA-N 2 2 261.366 -0.395 20 0 CBADLP C[C@@H](O)C[NH+]1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000826646721 582784409 /nfs/dbraw/zinc/78/44/09/582784409.db2.gz IYRQECIPCBNQOP-SNVBAGLBSA-N 2 2 252.318 -0.523 20 0 CBADLP C[C@H](O)C[NH+]1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000826646720 582784464 /nfs/dbraw/zinc/78/44/64/582784464.db2.gz IYRQECIPCBNQOP-JTQLQIEISA-N 2 2 252.318 -0.523 20 0 CBADLP O=C(NCc1ccnc(-n2cc[nH+]c2)c1)[C@H]1C[NH2+]CCO1 ZINC000827464151 582817352 /nfs/dbraw/zinc/81/73/52/582817352.db2.gz VEEXGOUGZPJWHX-GFCCVEGCSA-N 2 2 287.323 -0.128 20 0 CBADLP C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@@H]1C[N@H+](C)CCO1 ZINC000830628503 582936147 /nfs/dbraw/zinc/93/61/47/582936147.db2.gz SAJOPQCGSVIZTM-ZJUUUORDSA-N 2 2 252.318 -0.213 20 0 CBADLP C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@@H]1C[N@@H+](C)CCO1 ZINC000830628503 582936149 /nfs/dbraw/zinc/93/61/49/582936149.db2.gz SAJOPQCGSVIZTM-ZJUUUORDSA-N 2 2 252.318 -0.213 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000832139994 583012963 /nfs/dbraw/zinc/01/29/63/583012963.db2.gz IZOSRKXGHCKRTN-JTQLQIEISA-N 2 2 277.328 -0.495 20 0 CBADLP C[C@H](O)C[N@@H+]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@@H](C)C1 ZINC000832486456 583026918 /nfs/dbraw/zinc/02/69/18/583026918.db2.gz UKFTWVUKSOMRQF-QWRGUYRKSA-N 2 2 266.345 -0.134 20 0 CBADLP C[C@H](O)C[N@H+]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@@H](C)C1 ZINC000832486456 583026921 /nfs/dbraw/zinc/02/69/21/583026921.db2.gz UKFTWVUKSOMRQF-QWRGUYRKSA-N 2 2 266.345 -0.134 20 0 CBADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@@H](C)C1 ZINC000832486457 583027106 /nfs/dbraw/zinc/02/71/06/583027106.db2.gz UKFTWVUKSOMRQF-WDEREUQCSA-N 2 2 266.345 -0.134 20 0 CBADLP C[C@@H](O)C[N@H+]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@@H](C)C1 ZINC000832486457 583027108 /nfs/dbraw/zinc/02/71/08/583027108.db2.gz UKFTWVUKSOMRQF-WDEREUQCSA-N 2 2 266.345 -0.134 20 0 CBADLP C[N@@H+]1CCN(C(=O)CCCCCC[NH3+])[C@H](C[NH3+])C1 ZINC000834299215 583119795 /nfs/dbraw/zinc/11/97/95/583119795.db2.gz MWGQLLGNLUMDQG-GFCCVEGCSA-N 3 2 256.394 -0.003 20 0 CBADLP C[N@H+]1CCN(C(=O)CCCCCC[NH3+])[C@H](C[NH3+])C1 ZINC000834299215 583119797 /nfs/dbraw/zinc/11/97/97/583119797.db2.gz MWGQLLGNLUMDQG-GFCCVEGCSA-N 3 2 256.394 -0.003 20 0 CBADLP C[N@@H+]1CCN(C(=O)CCCn2cccn2)[C@@H](C[NH3+])C1 ZINC000834299331 583119808 /nfs/dbraw/zinc/11/98/08/583119808.db2.gz OUVDNZSMQFWGNS-LBPRGKRZSA-N 2 2 265.361 -0.235 20 0 CBADLP C[N@H+]1CCN(C(=O)CCCn2cccn2)[C@@H](C[NH3+])C1 ZINC000834299331 583119810 /nfs/dbraw/zinc/11/98/10/583119810.db2.gz OUVDNZSMQFWGNS-LBPRGKRZSA-N 2 2 265.361 -0.235 20 0 CBADLP C[NH+](C)C[C@]1(O)CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000834565507 583131274 /nfs/dbraw/zinc/13/12/74/583131274.db2.gz UUTRGRUCTSJGGH-CYBMUJFWSA-N 2 2 266.345 -0.133 20 0 CBADLP C[N@@H+]1CCN(C(=O)NC[C@H]2CCC=CO2)[C@H](C[NH3+])C1 ZINC000841884867 583176169 /nfs/dbraw/zinc/17/61/69/583176169.db2.gz RLTBNAZVBVPPKL-VXGBXAGGSA-N 2 2 268.361 -0.037 20 0 CBADLP C[N@H+]1CCN(C(=O)NC[C@H]2CCC=CO2)[C@H](C[NH3+])C1 ZINC000841884867 583176172 /nfs/dbraw/zinc/17/61/72/583176172.db2.gz RLTBNAZVBVPPKL-VXGBXAGGSA-N 2 2 268.361 -0.037 20 0 CBADLP C[N@@H+]1CCN(C(=O)NC[C@H]2CCC=CO2)[C@@H](C[NH3+])C1 ZINC000841884865 583176287 /nfs/dbraw/zinc/17/62/87/583176287.db2.gz RLTBNAZVBVPPKL-NWDGAFQWSA-N 2 2 268.361 -0.037 20 0 CBADLP C[N@H+]1CCN(C(=O)NC[C@H]2CCC=CO2)[C@@H](C[NH3+])C1 ZINC000841884865 583176289 /nfs/dbraw/zinc/17/62/89/583176289.db2.gz RLTBNAZVBVPPKL-NWDGAFQWSA-N 2 2 268.361 -0.037 20 0 CBADLP CC[C@@H](C)C[NH+]1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000843054701 583198834 /nfs/dbraw/zinc/19/88/34/583198834.db2.gz CGWRISAMKSTONB-LLVKDONJSA-N 2 2 275.418 -0.048 20 0 CBADLP CON(C)C(=O)CC[NH2+]CC[NH+]1CCC(O)CC1 ZINC000843075564 583200405 /nfs/dbraw/zinc/20/04/05/583200405.db2.gz LXEBPKWFXMRYFJ-UHFFFAOYSA-N 2 2 259.350 -0.557 20 0 CBADLP [NH3+]CCCCCCNC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000843267012 583205778 /nfs/dbraw/zinc/20/57/78/583205778.db2.gz RZFQYPIUHXYLHN-UHFFFAOYSA-N 2 2 296.415 -0.072 20 0 CBADLP C[C@@H]1CN(C(=O)C[NH2+][C@@](C)(C[NH3+])C2CC2)CCO1 ZINC000843356643 583212153 /nfs/dbraw/zinc/21/21/53/583212153.db2.gz ZDORPTDMGHWBOQ-MFKMUULPSA-N 2 2 255.362 -0.049 20 0 CBADLP CC(=O)N1CSC[C@H]1C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000843357129 583212655 /nfs/dbraw/zinc/21/26/55/583212655.db2.gz DJJHCYDWHCHQNA-MNOVXSKESA-N 2 2 286.401 -0.991 20 0 CBADLP CC(=O)N1CSC[C@H]1C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000843357129 583212658 /nfs/dbraw/zinc/21/26/58/583212658.db2.gz DJJHCYDWHCHQNA-MNOVXSKESA-N 2 2 286.401 -0.991 20 0 CBADLP CC[NH2+]CC(=O)N1CC[N@H+](CCC(=O)OC)[C@@H](C)C1 ZINC000843495015 583229176 /nfs/dbraw/zinc/22/91/76/583229176.db2.gz NSJZXRRCNPJREX-NSHDSACASA-N 2 2 271.361 -0.308 20 0 CBADLP CC[NH2+]CC(=O)N1CC[N@@H+](CCC(=O)OC)[C@@H](C)C1 ZINC000843495015 583229177 /nfs/dbraw/zinc/22/91/77/583229177.db2.gz NSJZXRRCNPJREX-NSHDSACASA-N 2 2 271.361 -0.308 20 0 CBADLP CC1(C)C[N@H+](CCNC(=O)CO[C@@H]2CCC[NH2+]C2)CCO1 ZINC000844178692 583257280 /nfs/dbraw/zinc/25/72/80/583257280.db2.gz HXYAUQBSYVHRDN-CYBMUJFWSA-N 2 2 299.415 -0.018 20 0 CBADLP CC1(C)C[N@@H+](CCNC(=O)CO[C@@H]2CCC[NH2+]C2)CCO1 ZINC000844178692 583257282 /nfs/dbraw/zinc/25/72/82/583257282.db2.gz HXYAUQBSYVHRDN-CYBMUJFWSA-N 2 2 299.415 -0.018 20 0 CBADLP CC[NH+]1CCN(CC(=O)NOC2CC[NH+](C)CC2)CC1 ZINC000846646285 583379339 /nfs/dbraw/zinc/37/93/39/583379339.db2.gz CERWYWAGZRXKDR-UHFFFAOYSA-N 2 2 284.404 -0.234 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCC(=O)NCc1ccccc1 ZINC000846667533 583381728 /nfs/dbraw/zinc/38/17/28/583381728.db2.gz DYHGIBSBQCZTFJ-ZDUSSCGKSA-N 2 2 292.383 -0.302 20 0 CBADLP COC(=O)N1CCC[C@@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000846670995 583381855 /nfs/dbraw/zinc/38/18/55/583381855.db2.gz WNUMHCGJPFCUDZ-MNOVXSKESA-N 2 2 286.376 -0.388 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1ccc(-n2nccn2)nc1 ZINC000846672043 583382151 /nfs/dbraw/zinc/38/21/51/583382151.db2.gz BDEBMYMPNKNORQ-LLVKDONJSA-N 2 2 289.343 -0.120 20 0 CBADLP COCCOCC[NH+]1CCN(C(=O)C[C@@H]([NH3+])C2CC2)CC1 ZINC000846700411 583384700 /nfs/dbraw/zinc/38/47/00/583384700.db2.gz CPJNZNLEBWMNEO-CQSZACIVSA-N 2 2 299.415 -0.079 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH2+]C1(C(=O)NC)CCCC1 ZINC000846827422 583388710 /nfs/dbraw/zinc/38/87/10/583388710.db2.gz UVLLGOXPXIPVBL-NSHDSACASA-N 2 2 257.378 -0.053 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH2+]C1(C(=O)NC)CCCC1 ZINC000846827422 583388713 /nfs/dbraw/zinc/38/87/13/583388713.db2.gz UVLLGOXPXIPVBL-NSHDSACASA-N 2 2 257.378 -0.053 20 0 CBADLP CC[NH+]1CCC(NC(=O)C[NH+]2CCN(OC)CC2)CC1 ZINC000846984970 583395393 /nfs/dbraw/zinc/39/53/93/583395393.db2.gz ZKNOLXKIEKXVQA-UHFFFAOYSA-N 2 2 284.404 -0.234 20 0 CBADLP COCCNC(=S)NCC[N@H+](C)CCC[NH+](C)C ZINC000849280588 583476152 /nfs/dbraw/zinc/47/61/52/583476152.db2.gz XNKUTQBJCIHFAC-UHFFFAOYSA-N 2 2 276.450 -0.020 20 0 CBADLP COCCNC(=S)NCC[N@@H+](C)CCC[NH+](C)C ZINC000849280588 583476154 /nfs/dbraw/zinc/47/61/54/583476154.db2.gz XNKUTQBJCIHFAC-UHFFFAOYSA-N 2 2 276.450 -0.020 20 0 CBADLP C[NH+](C)CCNC(=S)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000849289464 583476355 /nfs/dbraw/zinc/47/63/55/583476355.db2.gz MOVHDYOYKCSQBB-GFCCVEGCSA-N 2 2 286.445 -0.171 20 0 CBADLP NC(=O)C1=NO[C@H](C[NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000850278664 583499128 /nfs/dbraw/zinc/49/91/28/583499128.db2.gz HZSVZERJHFHBTJ-VIFPVBQESA-N 2 2 263.301 -0.451 20 0 CBADLP Cc1[nH+]cc(C[NH2+]C[C@H]2CC(C(N)=O)=NO2)n1C ZINC000850279400 583499188 /nfs/dbraw/zinc/49/91/88/583499188.db2.gz UUURLTOHCYNZHM-SECBINFHSA-N 2 2 251.290 -0.552 20 0 CBADLP O=C1CC[C@@H]([N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)C(=O)N1 ZINC000852008135 583533497 /nfs/dbraw/zinc/53/34/97/583533497.db2.gz FIMRAPIRMVKQMR-CHWSQXEVSA-N 2 2 295.383 -0.022 20 0 CBADLP O=C1CC[C@@H]([N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)C(=O)N1 ZINC000852008135 583533499 /nfs/dbraw/zinc/53/34/99/583533499.db2.gz FIMRAPIRMVKQMR-CHWSQXEVSA-N 2 2 295.383 -0.022 20 0 CBADLP COC(=O)[C@@H]1OCC[C@@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000852416969 583545065 /nfs/dbraw/zinc/54/50/65/583545065.db2.gz OUUCWSCCMYGOPZ-GRYCIOLGSA-N 2 2 272.345 -0.637 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](N2CCOC2=O)C1 ZINC000852443880 583547033 /nfs/dbraw/zinc/54/70/33/583547033.db2.gz QUELMLDAKFUQHF-RYUDHWBXSA-N 2 2 271.361 -0.175 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](N2CCOC2=O)C1 ZINC000852443880 583547034 /nfs/dbraw/zinc/54/70/34/583547034.db2.gz QUELMLDAKFUQHF-RYUDHWBXSA-N 2 2 271.361 -0.175 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852443880 583547035 /nfs/dbraw/zinc/54/70/35/583547035.db2.gz QUELMLDAKFUQHF-RYUDHWBXSA-N 2 2 271.361 -0.175 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852443880 583547036 /nfs/dbraw/zinc/54/70/36/583547036.db2.gz QUELMLDAKFUQHF-RYUDHWBXSA-N 2 2 271.361 -0.175 20 0 CBADLP CC(C)(CNC(=O)C1=NO[C@@H](C[NH3+])C1)[NH+]1CCOCC1 ZINC000852853945 583561087 /nfs/dbraw/zinc/56/10/87/583561087.db2.gz AFEVZCKWPLZEOB-SNVBAGLBSA-N 2 2 284.360 -0.683 20 0 CBADLP [NH3+]C[C@H]1CC(C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)=NO1 ZINC000852860761 583562596 /nfs/dbraw/zinc/56/25/96/583562596.db2.gz JQDHZOIHMMHMQW-NWDGAFQWSA-N 2 2 296.371 -0.587 20 0 CBADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)C=C2CC[NH2+]CC2)CC1 ZINC000852870951 583565091 /nfs/dbraw/zinc/56/50/91/583565091.db2.gz ZOQMGEPBKXOGIJ-UHFFFAOYSA-N 2 2 294.399 -0.296 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852903307 583572579 /nfs/dbraw/zinc/57/25/79/583572579.db2.gz YJLFAAIPZZOCNX-NSHDSACASA-N 3 2 285.392 -0.910 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852903307 583572580 /nfs/dbraw/zinc/57/25/80/583572580.db2.gz YJLFAAIPZZOCNX-NSHDSACASA-N 3 2 285.392 -0.910 20 0 CBADLP Cn1ncc(CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)n1 ZINC000854061837 583594347 /nfs/dbraw/zinc/59/43/47/583594347.db2.gz HNZNZCJVDBNRGD-UHFFFAOYSA-N 2 2 297.407 -0.502 20 0 CBADLP Cn1ncc(CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)n1 ZINC000854061837 583594351 /nfs/dbraw/zinc/59/43/51/583594351.db2.gz HNZNZCJVDBNRGD-UHFFFAOYSA-N 2 2 297.407 -0.502 20 0 CBADLP CCOC(=O)[C@H]1[NH2+]CC[C@H]1NCC12CC(C1)C[NH2+]2 ZINC000854229925 583597652 /nfs/dbraw/zinc/59/76/52/583597652.db2.gz AMYDQKIAEMBWKC-ZUXSNHBTSA-N 2 2 253.346 -0.378 20 0 CBADLP CN1CCC[C@@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)C1=O ZINC000855414328 583638685 /nfs/dbraw/zinc/63/86/85/583638685.db2.gz BCBPQESYCOPPIP-ZDUSSCGKSA-N 2 2 298.431 -0.146 20 0 CBADLP CN1CCC[C@@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)C1=O ZINC000855414328 583638687 /nfs/dbraw/zinc/63/86/87/583638687.db2.gz BCBPQESYCOPPIP-ZDUSSCGKSA-N 2 2 298.431 -0.146 20 0 CBADLP CC[NH2+]CC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000856776647 583660761 /nfs/dbraw/zinc/66/07/61/583660761.db2.gz HGBWROMXABUPNJ-NSHDSACASA-N 2 2 282.388 -0.593 20 0 CBADLP C[C@H]([NH3+])CCNC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000857102974 583664724 /nfs/dbraw/zinc/66/47/24/583664724.db2.gz XXIYRDNMYSTJOA-QWRGUYRKSA-N 2 2 257.382 -0.731 20 0 CBADLP C[C@H]([NH3+])CCNC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000857102974 583664727 /nfs/dbraw/zinc/66/47/27/583664727.db2.gz XXIYRDNMYSTJOA-QWRGUYRKSA-N 2 2 257.382 -0.731 20 0 CBADLP O=C(CC[NH+]1CCOCC1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000857888657 583684865 /nfs/dbraw/zinc/68/48/65/583684865.db2.gz YPYINKFSMIHEIG-LLVKDONJSA-N 2 2 264.329 -0.354 20 0 CBADLP O=C(N[C@@H]1CCn2c[nH+]cc21)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000857981238 583685933 /nfs/dbraw/zinc/68/59/33/583685933.db2.gz YCBZFDQBCBDXLN-DGCLKSJQSA-N 2 2 275.356 -0.166 20 0 CBADLP O=C(N[C@@H]1CCn2c[nH+]cc21)[C@H]1C[N@H+]2CCN1CCC2 ZINC000857981238 583685935 /nfs/dbraw/zinc/68/59/35/583685935.db2.gz YCBZFDQBCBDXLN-DGCLKSJQSA-N 2 2 275.356 -0.166 20 0 CBADLP COc1cc[nH+]cc1NC(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000861540123 583769810 /nfs/dbraw/zinc/76/98/10/583769810.db2.gz LGQIRHWTTXRERP-QMMMGPOBSA-N 2 2 266.301 -0.166 20 0 CBADLP C[C@H]([NH3+])CN(C)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000861627525 583772984 /nfs/dbraw/zinc/77/29/84/583772984.db2.gz OJUOANOAPJSWPW-NSHDSACASA-N 2 2 270.377 -0.160 20 0 CBADLP C[C@H]([NH3+])CN(C)C(=O)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000861731443 583781926 /nfs/dbraw/zinc/78/19/26/583781926.db2.gz AQCWYPSBCYACHR-JTQLQIEISA-N 2 2 289.339 -0.244 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000861767338 583785335 /nfs/dbraw/zinc/78/53/35/583785335.db2.gz PFZDXPACLAAEJI-VHSXEESVSA-N 2 2 267.333 -0.807 20 0 CBADLP C[NH+](C)C1(C(=O)NC[C@H]2COCC[N@@H+]2C)CCC1 ZINC000862968849 583828665 /nfs/dbraw/zinc/82/86/65/583828665.db2.gz FOSYYNUXDAKCRJ-NSHDSACASA-N 2 2 255.362 -0.083 20 0 CBADLP C[NH+](C)C1(C(=O)NC[C@H]2COCC[N@H+]2C)CCC1 ZINC000862968849 583828668 /nfs/dbraw/zinc/82/86/68/583828668.db2.gz FOSYYNUXDAKCRJ-NSHDSACASA-N 2 2 255.362 -0.083 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC000862973405 583829604 /nfs/dbraw/zinc/82/96/04/583829604.db2.gz NDXSQDJZVOEDOG-LBPRGKRZSA-N 2 2 271.361 -0.845 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC000862973405 583829607 /nfs/dbraw/zinc/82/96/07/583829607.db2.gz NDXSQDJZVOEDOG-LBPRGKRZSA-N 2 2 271.361 -0.845 20 0 CBADLP C[NH+]1CCC(NC(=S)NC[C@@H]2COCC[N@@H+]2C)CC1 ZINC000863226549 583834873 /nfs/dbraw/zinc/83/48/73/583834873.db2.gz KAAIMRUZQUXNHH-GFCCVEGCSA-N 2 2 286.445 -0.125 20 0 CBADLP C[NH+]1CCC(NC(=S)NC[C@@H]2COCC[N@H+]2C)CC1 ZINC000863226549 583834875 /nfs/dbraw/zinc/83/48/75/583834875.db2.gz KAAIMRUZQUXNHH-GFCCVEGCSA-N 2 2 286.445 -0.125 20 0 CBADLP COC(=O)[C@@H](C)[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863550163 583846422 /nfs/dbraw/zinc/84/64/22/583846422.db2.gz ZVKZBEFIQLWMEL-JLLWLGSASA-N 2 2 297.355 -0.195 20 0 CBADLP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000863750896 583852507 /nfs/dbraw/zinc/85/25/07/583852507.db2.gz YWEPUMBKQSDFCH-QWRGUYRKSA-N 2 2 293.371 -0.079 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000864080133 583872255 /nfs/dbraw/zinc/87/22/55/583872255.db2.gz BXUBLTUQPYHTGH-AWEZNQCLSA-N 2 2 297.399 -0.456 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000864080133 583872256 /nfs/dbraw/zinc/87/22/56/583872256.db2.gz BXUBLTUQPYHTGH-AWEZNQCLSA-N 2 2 297.399 -0.456 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)N2CC[NH+](C)[C@H](CO)C2)CC[N@@H+]1C ZINC000864079326 583872271 /nfs/dbraw/zinc/87/22/71/583872271.db2.gz VXWCYDFMDUOLHS-RWMBFGLXSA-N 2 2 269.389 -0.148 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)N2CC[NH+](C)[C@H](CO)C2)CC[N@H+]1C ZINC000864079326 583872272 /nfs/dbraw/zinc/87/22/72/583872272.db2.gz VXWCYDFMDUOLHS-RWMBFGLXSA-N 2 2 269.389 -0.148 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)N2CC[N@H+](C)[C@H](CO)C2)CC[NH+]1C ZINC000864079326 583872273 /nfs/dbraw/zinc/87/22/73/583872273.db2.gz VXWCYDFMDUOLHS-RWMBFGLXSA-N 2 2 269.389 -0.148 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)N2CC[N@@H+](C)[C@H](CO)C2)CC[NH+]1C ZINC000864079326 583872274 /nfs/dbraw/zinc/87/22/74/583872274.db2.gz VXWCYDFMDUOLHS-RWMBFGLXSA-N 2 2 269.389 -0.148 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000864080134 583872285 /nfs/dbraw/zinc/87/22/85/583872285.db2.gz BXUBLTUQPYHTGH-CQSZACIVSA-N 2 2 297.399 -0.456 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000864080134 583872286 /nfs/dbraw/zinc/87/22/86/583872286.db2.gz BXUBLTUQPYHTGH-CQSZACIVSA-N 2 2 297.399 -0.456 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000864080523 583872420 /nfs/dbraw/zinc/87/24/20/583872420.db2.gz HAHREGLXZFAJPW-NSHDSACASA-N 2 2 253.346 -0.471 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000864080523 583872422 /nfs/dbraw/zinc/87/24/22/583872422.db2.gz HAHREGLXZFAJPW-NSHDSACASA-N 2 2 253.346 -0.471 20 0 CBADLP C[NH+](C)CCCNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000864416435 583881482 /nfs/dbraw/zinc/88/14/82/583881482.db2.gz VGWDEIWOKMFKHE-HYXAFXHYSA-N 2 2 255.362 -0.057 20 0 CBADLP O=C([C@@H](O)c1c[nH+]c[nH]1)N1CC[NH+](CC2CC2)CC1 ZINC000864938589 583892513 /nfs/dbraw/zinc/89/25/13/583892513.db2.gz ZJKGKZNHLPZXLL-LBPRGKRZSA-N 2 2 264.329 -0.003 20 0 CBADLP COCC[N@@H+]1CCCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)CC1 ZINC000865010841 583894205 /nfs/dbraw/zinc/89/42/05/583894205.db2.gz WJOBTSUZNJWKGT-LBPRGKRZSA-N 2 2 282.344 -0.376 20 0 CBADLP COCC[N@H+]1CCCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)CC1 ZINC000865010841 583894207 /nfs/dbraw/zinc/89/42/07/583894207.db2.gz WJOBTSUZNJWKGT-LBPRGKRZSA-N 2 2 282.344 -0.376 20 0 CBADLP O=C([C@H](O)c1c[nH+]c[nH]1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000865198774 583900739 /nfs/dbraw/zinc/90/07/39/583900739.db2.gz MIJLFWLZNQBACW-JHJVBQTASA-N 2 2 294.355 -0.499 20 0 CBADLP O=C(NCC[NH+]1CCOCC1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000865344303 583903729 /nfs/dbraw/zinc/90/37/29/583903729.db2.gz DSTVSLMCVLQCQI-QWHCGFSZSA-N 2 2 282.388 -0.146 20 0 CBADLP COCC[N@@H+]1CC[C@H](NC(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000865583782 583905963 /nfs/dbraw/zinc/90/59/63/583905963.db2.gz VWLFRCPYGFPNOH-HSWBROFVSA-N 2 2 297.399 -0.288 20 0 CBADLP COCC[N@H+]1CC[C@H](NC(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000865583782 583905964 /nfs/dbraw/zinc/90/59/64/583905964.db2.gz VWLFRCPYGFPNOH-HSWBROFVSA-N 2 2 297.399 -0.288 20 0 CBADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000865706474 583907714 /nfs/dbraw/zinc/90/77/14/583907714.db2.gz XAGPVBYTDBDHSO-RDFMZFSFSA-N 2 2 296.415 -0.763 20 0 CBADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000865706474 583907717 /nfs/dbraw/zinc/90/77/17/583907717.db2.gz XAGPVBYTDBDHSO-RDFMZFSFSA-N 2 2 296.415 -0.763 20 0 CBADLP CN(C(=O)[C@@H](O)c1c[nH+]c[nH]1)[C@@H]1C[NH+]2CCC1CC2 ZINC000865712679 583908077 /nfs/dbraw/zinc/90/80/77/583908077.db2.gz DUCYGGXMDNNBBH-NEPJUHHUSA-N 2 2 264.329 -0.004 20 0 CBADLP CN(C(=O)[C@H](O)c1c[nH+]c[nH]1)[C@@H]1C[NH+]2CCC1CC2 ZINC000865712682 583908101 /nfs/dbraw/zinc/90/81/01/583908101.db2.gz DUCYGGXMDNNBBH-VXGBXAGGSA-N 2 2 264.329 -0.004 20 0 CBADLP CNC(=O)NC[C@H]1CCCC[N@@H+]1C[C@H]1C[NH2+]CCO1 ZINC000866685069 583927113 /nfs/dbraw/zinc/92/71/13/583927113.db2.gz BIXOCMXKYRIBMW-VXGBXAGGSA-N 2 2 270.377 -0.242 20 0 CBADLP CNC(=O)NC[C@H]1CCCC[N@H+]1C[C@H]1C[NH2+]CCO1 ZINC000866685069 583927116 /nfs/dbraw/zinc/92/71/16/583927116.db2.gz BIXOCMXKYRIBMW-VXGBXAGGSA-N 2 2 270.377 -0.242 20 0 CBADLP CCOC(=O)[C@H](C)[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866712687 583928368 /nfs/dbraw/zinc/92/83/68/583928368.db2.gz VMDCGCKQAQMULT-YFKTTZPYSA-N 2 2 297.355 -0.195 20 0 CBADLP CCOC(=O)[C@H](C)[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866712687 583928369 /nfs/dbraw/zinc/92/83/69/583928369.db2.gz VMDCGCKQAQMULT-YFKTTZPYSA-N 2 2 297.355 -0.195 20 0 CBADLP CNC(=O)NC(=O)CC[N@@H+]1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866723113 583928824 /nfs/dbraw/zinc/92/88/24/583928824.db2.gz DKQYCMFGLCMNOL-NXEZZACHSA-N 2 2 254.334 -0.342 20 0 CBADLP CNC(=O)NC(=O)CC[N@H+]1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866723113 583928827 /nfs/dbraw/zinc/92/88/27/583928827.db2.gz DKQYCMFGLCMNOL-NXEZZACHSA-N 2 2 254.334 -0.342 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC000866726327 583929055 /nfs/dbraw/zinc/92/90/55/583929055.db2.gz YSVSZZAWJYBBHK-ZIAGYGMSSA-N 3 2 280.416 -0.023 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC000866726327 583929057 /nfs/dbraw/zinc/92/90/57/583929057.db2.gz YSVSZZAWJYBBHK-ZIAGYGMSSA-N 3 2 280.416 -0.023 20 0 CBADLP C[NH+](C)C1(CS(=O)(=O)N[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000866768297 583931749 /nfs/dbraw/zinc/93/17/49/583931749.db2.gz ANHUCNVOSAGLFB-VIFPVBQESA-N 2 2 297.371 -0.003 20 0 CBADLP Cn1c[nH+]cc1CNS(=O)(=O)CCC[NH+](C)C ZINC000867274190 583946241 /nfs/dbraw/zinc/94/62/41/583946241.db2.gz ISRHWHWKXFZJDS-UHFFFAOYSA-N 2 2 260.363 -0.209 20 0 CBADLP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)[C@H](C)C1 ZINC000867525258 583956584 /nfs/dbraw/zinc/95/65/84/583956584.db2.gz OPQUGRLRPGGGOL-JFGNBEQYSA-N 2 2 282.344 -0.643 20 0 CBADLP C[C@H](O)C[N@H+]1CCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)[C@H](C)C1 ZINC000867525258 583956586 /nfs/dbraw/zinc/95/65/86/583956586.db2.gz OPQUGRLRPGGGOL-JFGNBEQYSA-N 2 2 282.344 -0.643 20 0 CBADLP C[C@H]1CN(C(=O)/C=C\C[NH+]2CCOCC2)CC[N@@H+]1CCO ZINC000867548451 583957712 /nfs/dbraw/zinc/95/77/12/583957712.db2.gz CBEDBULAZAWGMY-SFAKSCPVSA-N 2 2 297.399 -0.600 20 0 CBADLP C[C@H]1CN(C(=O)/C=C\C[NH+]2CCOCC2)CC[N@H+]1CCO ZINC000867548451 583957714 /nfs/dbraw/zinc/95/77/14/583957714.db2.gz CBEDBULAZAWGMY-SFAKSCPVSA-N 2 2 297.399 -0.600 20 0 CBADLP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)N3CC[NH+](C)CC3)CC[C@@H]21 ZINC000867801317 583963473 /nfs/dbraw/zinc/96/34/73/583963473.db2.gz MOEOGADPCYXQDQ-STQMWFEESA-N 2 2 294.399 -0.687 20 0 CBADLP C[N@H+]1CC[C@H]2CN(C(=O)C(=O)N3CC[NH+](C)CC3)CC[C@@H]21 ZINC000867801317 583963475 /nfs/dbraw/zinc/96/34/75/583963475.db2.gz MOEOGADPCYXQDQ-STQMWFEESA-N 2 2 294.399 -0.687 20 0 CBADLP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[NH+](C)CC3)CC[C@H]21 ZINC000867801314 583963540 /nfs/dbraw/zinc/96/35/40/583963540.db2.gz MOEOGADPCYXQDQ-CHWSQXEVSA-N 2 2 294.399 -0.687 20 0 CBADLP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[NH+](C)CC3)CC[C@H]21 ZINC000867801314 583963542 /nfs/dbraw/zinc/96/35/42/583963542.db2.gz MOEOGADPCYXQDQ-CHWSQXEVSA-N 2 2 294.399 -0.687 20 0 CBADLP C[N@@H+]1CCn2nc(NC(=O)NC/C=C/C[NH3+])cc2C1 ZINC000868205468 583972830 /nfs/dbraw/zinc/97/28/30/583972830.db2.gz MTOXYRFCXGTCPY-NSCUHMNNSA-N 2 2 264.333 -0.035 20 0 CBADLP C[N@H+]1CCn2nc(NC(=O)NC/C=C/C[NH3+])cc2C1 ZINC000868205468 583972832 /nfs/dbraw/zinc/97/28/32/583972832.db2.gz MTOXYRFCXGTCPY-NSCUHMNNSA-N 2 2 264.333 -0.035 20 0 CBADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000868391590 583977055 /nfs/dbraw/zinc/97/70/55/583977055.db2.gz LVVWTQDJSPNZOR-AWEZNQCLSA-N 2 2 291.355 -0.277 20 0 CBADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000868415218 583978496 /nfs/dbraw/zinc/97/84/96/583978496.db2.gz CKHCWHAQHUJVTR-MNOVXSKESA-N 2 2 291.355 -0.279 20 0 CBADLP C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](O)c3c[nH+]c[nH]3)C2)C1 ZINC000868535276 583980866 /nfs/dbraw/zinc/98/08/66/583980866.db2.gz QXOZJIQHWVHDQG-WCQYABFASA-N 2 2 264.329 -0.003 20 0 CBADLP C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](O)c3c[nH+]c[nH]3)C2)C1 ZINC000868535276 583980868 /nfs/dbraw/zinc/98/08/68/583980868.db2.gz QXOZJIQHWVHDQG-WCQYABFASA-N 2 2 264.329 -0.003 20 0 CBADLP C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000868567242 583981939 /nfs/dbraw/zinc/98/19/39/583981939.db2.gz SHYWVPQUMJHVFD-MIMYLULJSA-N 2 2 252.318 -0.006 20 0 CBADLP CC[N@@H+]1CC[C@H]2OCCN(C(=O)[C@H](O)c3c[nH+]c[nH]3)[C@H]2C1 ZINC000868569369 583982095 /nfs/dbraw/zinc/98/20/95/583982095.db2.gz HCKUGOUGZOMDPV-YNEHKIRRSA-N 2 2 294.355 -0.235 20 0 CBADLP CC[N@H+]1CC[C@H]2OCCN(C(=O)[C@H](O)c3c[nH+]c[nH]3)[C@H]2C1 ZINC000868569369 583982097 /nfs/dbraw/zinc/98/20/97/583982097.db2.gz HCKUGOUGZOMDPV-YNEHKIRRSA-N 2 2 294.355 -0.235 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H](O)c1c[nH]cn1 ZINC000869241815 583996076 /nfs/dbraw/zinc/99/60/76/583996076.db2.gz DYRCFPHABNGIQP-GFCCVEGCSA-N 2 2 283.376 -0.557 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H](O)c1c[nH]cn1 ZINC000869241815 583996079 /nfs/dbraw/zinc/99/60/79/583996079.db2.gz DYRCFPHABNGIQP-GFCCVEGCSA-N 2 2 283.376 -0.557 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H](O)c1c[nH]cn1 ZINC000869241825 583996171 /nfs/dbraw/zinc/99/61/71/583996171.db2.gz DYRCFPHABNGIQP-LBPRGKRZSA-N 2 2 283.376 -0.557 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H](O)c1c[nH]cn1 ZINC000869241825 583996173 /nfs/dbraw/zinc/99/61/73/583996173.db2.gz DYRCFPHABNGIQP-LBPRGKRZSA-N 2 2 283.376 -0.557 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC000870069241 584008862 /nfs/dbraw/zinc/00/88/62/584008862.db2.gz BPBFCNIUNUDXOR-CQSZACIVSA-N 2 2 299.415 -0.114 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC000870069241 584008864 /nfs/dbraw/zinc/00/88/64/584008864.db2.gz BPBFCNIUNUDXOR-CQSZACIVSA-N 2 2 299.415 -0.114 20 0 CBADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)CC[NH2+]CC2CC2)CC1 ZINC000870896650 584020960 /nfs/dbraw/zinc/02/09/60/584020960.db2.gz YPSRRWNRCDDBSR-UHFFFAOYSA-N 2 2 296.415 -0.216 20 0 CBADLP CCO[C@@H]1COCC[C@H]1CC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000870938402 584022132 /nfs/dbraw/zinc/02/21/32/584022132.db2.gz NTARPFMKKSVGLG-BFHYXJOUSA-N 2 2 299.415 -0.081 20 0 CBADLP CCO[C@@H]1COCC[C@H]1CC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000870938402 584022133 /nfs/dbraw/zinc/02/21/33/584022133.db2.gz NTARPFMKKSVGLG-BFHYXJOUSA-N 2 2 299.415 -0.081 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1C[C@H](O)CC(C)(C)C1 ZINC000870983545 584024253 /nfs/dbraw/zinc/02/42/53/584024253.db2.gz WBPXWCPCBVTQRH-GHMZBOCLSA-N 2 2 257.378 -0.115 20 0 CBADLP COC(=O)CCNC(=O)C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872154131 584048085 /nfs/dbraw/zinc/04/80/85/584048085.db2.gz NXFBVIMMPULBKU-GXFFZTMASA-N 2 2 269.345 -0.793 20 0 CBADLP COC(=O)CCNC(=O)C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872154131 584048087 /nfs/dbraw/zinc/04/80/87/584048087.db2.gz NXFBVIMMPULBKU-GXFFZTMASA-N 2 2 269.345 -0.793 20 0 CBADLP C[S@@](=N)(=O)N1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000872146363 584048122 /nfs/dbraw/zinc/04/81/22/584048122.db2.gz MGKZRAWREDIPGM-WYRIXSBYSA-N 2 2 288.417 -0.283 20 0 CBADLP CC(C)(O)C[C@H](O)C[NH2+][C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000872218970 584050846 /nfs/dbraw/zinc/05/08/46/584050846.db2.gz UGQKTZQSDCOASY-RYUDHWBXSA-N 2 2 274.405 -0.057 20 0 CBADLP CC(C)(O)C[C@H](O)C[NH2+][C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000872218970 584050847 /nfs/dbraw/zinc/05/08/47/584050847.db2.gz UGQKTZQSDCOASY-RYUDHWBXSA-N 2 2 274.405 -0.057 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCNC(=O)CC12CCOCC2 ZINC000872283696 584053157 /nfs/dbraw/zinc/05/31/57/584053157.db2.gz BWAFIGPEQQRNQM-ZDUSSCGKSA-N 2 2 299.415 -0.330 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCNC(=O)CC12CCOCC2 ZINC000872283696 584053159 /nfs/dbraw/zinc/05/31/59/584053159.db2.gz BWAFIGPEQQRNQM-ZDUSSCGKSA-N 2 2 299.415 -0.330 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCNC(=O)CC12CCOCC2 ZINC000872283696 584053160 /nfs/dbraw/zinc/05/31/60/584053160.db2.gz BWAFIGPEQQRNQM-ZDUSSCGKSA-N 2 2 299.415 -0.330 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCNC(=O)CC12CCOCC2 ZINC000872283696 584053162 /nfs/dbraw/zinc/05/31/62/584053162.db2.gz BWAFIGPEQQRNQM-ZDUSSCGKSA-N 2 2 299.415 -0.330 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCNC(=O)CC12CCOCC2 ZINC000872283693 584053234 /nfs/dbraw/zinc/05/32/34/584053234.db2.gz BWAFIGPEQQRNQM-CYBMUJFWSA-N 2 2 299.415 -0.330 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCNC(=O)CC12CCOCC2 ZINC000872283693 584053236 /nfs/dbraw/zinc/05/32/36/584053236.db2.gz BWAFIGPEQQRNQM-CYBMUJFWSA-N 2 2 299.415 -0.330 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCNC(=O)CC12CCOCC2 ZINC000872283693 584053238 /nfs/dbraw/zinc/05/32/38/584053238.db2.gz BWAFIGPEQQRNQM-CYBMUJFWSA-N 2 2 299.415 -0.330 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCNC(=O)CC12CCOCC2 ZINC000872283693 584053241 /nfs/dbraw/zinc/05/32/41/584053241.db2.gz BWAFIGPEQQRNQM-CYBMUJFWSA-N 2 2 299.415 -0.330 20 0 CBADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@@]12COC(=O)N1CCOC2 ZINC000873250892 584069267 /nfs/dbraw/zinc/06/92/67/584069267.db2.gz TVBQVCLLNQLMCJ-MBNYWOFBSA-N 2 2 299.371 -0.436 20 0 CBADLP COC(OC)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000874462106 584085220 /nfs/dbraw/zinc/08/52/20/584085220.db2.gz CYWLATBCPPQOMK-NSHDSACASA-N 2 2 285.388 -0.110 20 0 CBADLP COC(OC)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000874462106 584085222 /nfs/dbraw/zinc/08/52/22/584085222.db2.gz CYWLATBCPPQOMK-NSHDSACASA-N 2 2 285.388 -0.110 20 0 CBADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC000874703120 584089132 /nfs/dbraw/zinc/08/91/32/584089132.db2.gz RDABGMUFTBEGGP-QWHCGFSZSA-N 2 2 285.388 -0.456 20 0 CBADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC000874703120 584089134 /nfs/dbraw/zinc/08/91/34/584089134.db2.gz RDABGMUFTBEGGP-QWHCGFSZSA-N 2 2 285.388 -0.456 20 0 CBADLP CC[C@H]1COCC[NH+]1CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000874703120 584089137 /nfs/dbraw/zinc/08/91/37/584089137.db2.gz RDABGMUFTBEGGP-QWHCGFSZSA-N 2 2 285.388 -0.456 20 0 CBADLP CC[C@H]1COCC[NH+]1CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000874703120 584089139 /nfs/dbraw/zinc/08/91/39/584089139.db2.gz RDABGMUFTBEGGP-QWHCGFSZSA-N 2 2 285.388 -0.456 20 0 CBADLP C[C@H]1C[N@H+](CCO)CCN1C(=O)NCc1c[nH+]cn1C ZINC000876305118 584126673 /nfs/dbraw/zinc/12/66/73/584126673.db2.gz BVYAJGDLKYHMPD-NSHDSACASA-N 2 2 281.360 -0.372 20 0 CBADLP C[C@H]1C[N@@H+](CCO)CCN1C(=O)NCc1c[nH+]cn1C ZINC000876305118 584126674 /nfs/dbraw/zinc/12/66/74/584126674.db2.gz BVYAJGDLKYHMPD-NSHDSACASA-N 2 2 281.360 -0.372 20 0 CBADLP O=C(/C=C/C[NH+]1CCOCC1)NCCCN1CC[NH2+]CC1 ZINC000876502913 584129774 /nfs/dbraw/zinc/12/97/74/584129774.db2.gz SCVBJBCXCQKVPY-HNQUOIGGSA-N 2 2 296.415 -0.714 20 0 CBADLP O=C(/C=C\C[NH+]1CCOCC1)NCCCN1CC[NH2+]CC1 ZINC000876502914 584129797 /nfs/dbraw/zinc/12/97/97/584129797.db2.gz SCVBJBCXCQKVPY-IWQZZHSRSA-N 2 2 296.415 -0.714 20 0 CBADLP O=C(/C=C\C[NH+]1CCOCC1)NC1CC[NH2+]CC1 ZINC000876502682 584129813 /nfs/dbraw/zinc/12/98/13/584129813.db2.gz JQBQGWXODQJHMM-UPHRSURJSA-N 2 2 253.346 -0.257 20 0 CBADLP O=C(/C=C/C[NH+]1CCOCC1)NC[C@@H]1CCC[NH2+]C1 ZINC000876513401 584130382 /nfs/dbraw/zinc/13/03/82/584130382.db2.gz LRHIAKGWQYZMDE-CXLRFSCWSA-N 2 2 267.373 -0.009 20 0 CBADLP C[C@H]1C[NH2+]CCN1C(=O)/C=C\C[NH+]1CCOCC1 ZINC000876515171 584130660 /nfs/dbraw/zinc/13/06/60/584130660.db2.gz MEUICUAVPCIEKR-DLGQBQFBSA-N 2 2 253.346 -0.305 20 0 CBADLP COC(=O)[C@@H]1CC[C@@H]1C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000876542223 584132566 /nfs/dbraw/zinc/13/25/66/584132566.db2.gz LRCKIJQHIBBQLO-OUAUKWLOSA-N 2 2 269.345 -0.713 20 0 CBADLP COC(=O)[C@@H]1CC[C@@H]1C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000876542223 584132568 /nfs/dbraw/zinc/13/25/68/584132568.db2.gz LRCKIJQHIBBQLO-OUAUKWLOSA-N 2 2 269.345 -0.713 20 0 CBADLP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCC[NH+]1CCOCC1 ZINC000876707511 584140554 /nfs/dbraw/zinc/14/05/54/584140554.db2.gz IRJIQULRQBCBSZ-XCUNLHGCSA-N 2 2 267.373 -0.154 20 0 CBADLP C[NH+](C)C[C@H](N)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000876750965 584142419 /nfs/dbraw/zinc/14/24/19/584142419.db2.gz KXQWKJRRXAXAHN-KBPBESRZSA-N 2 2 298.431 -0.411 20 0 CBADLP C[NH+](C)C[C@H](N)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000876752975 584142508 /nfs/dbraw/zinc/14/25/08/584142508.db2.gz FKBSGQPBQOIGJM-NSHDSACASA-N 2 2 272.393 -0.898 20 0 CBADLP C[NH+](C)C[C@H](N)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000876752975 584142510 /nfs/dbraw/zinc/14/25/10/584142510.db2.gz FKBSGQPBQOIGJM-NSHDSACASA-N 2 2 272.393 -0.898 20 0 CBADLP C[C@H]([C@H](C)NC(=O)c1c(C[NH3+])cnn1C)[NH+]1CCOCC1 ZINC000876756738 584142805 /nfs/dbraw/zinc/14/28/05/584142805.db2.gz XHMLGGRASZRDPN-WDEREUQCSA-N 2 2 295.387 -0.282 20 0 CBADLP [NH3+][C@H](CNC(=O)/C=C/C[NH+]1CCOCC1)C1CC1 ZINC000876791863 584144879 /nfs/dbraw/zinc/14/48/79/584144879.db2.gz PRAAHSKKYYHPNL-YYRQZUAOSA-N 2 2 253.346 -0.272 20 0 CBADLP [NH3+]CC(F)(F)CNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000876809270 584147164 /nfs/dbraw/zinc/14/71/64/584147164.db2.gz QQLJZQZBLHKJNX-OWOJBTEDSA-N 2 2 263.288 -0.415 20 0 CBADLP [NH3+]C[C@H]1CN(C(=O)/C=C\C[NH+]2CCOCC2)CCO1 ZINC000876807750 584147210 /nfs/dbraw/zinc/14/72/10/584147210.db2.gz JSWIRMZNNLOPJV-BIOMNHJASA-N 2 2 269.345 -0.939 20 0 CBADLP NS(=O)(=O)c1cccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000876817672 584147488 /nfs/dbraw/zinc/14/74/88/584147488.db2.gz KNZGVVCPUUHBRW-VXGBXAGGSA-N 2 2 281.381 -0.015 20 0 CBADLP O=C([C@H](F)[C@H]1CC[NH2+]C1)N1CC[NH+](CCO)CC1 ZINC000876846492 584149153 /nfs/dbraw/zinc/14/91/53/584149153.db2.gz BWDWXSUQHIDKPA-WDEREUQCSA-N 2 2 259.325 -0.930 20 0 CBADLP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000876846505 584149208 /nfs/dbraw/zinc/14/92/08/584149208.db2.gz CEVHAPHNBFTTGY-WDEREUQCSA-N 2 2 255.362 -0.504 20 0 CBADLP O=C([C@@H](F)[C@@H]1CC[NH2+]C1)N1CC[NH+](CCO)CC1 ZINC000876846490 584149243 /nfs/dbraw/zinc/14/92/43/584149243.db2.gz BWDWXSUQHIDKPA-MNOVXSKESA-N 2 2 259.325 -0.930 20 0 CBADLP O=C(/C=C\C[NH+]1CCOCC1)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000876856119 584150200 /nfs/dbraw/zinc/15/02/00/584150200.db2.gz IXFZVAXCVMLIIW-ZMCHVJTCSA-N 2 2 271.336 -0.309 20 0 CBADLP [NH3+]CC[C@@H](NC(=O)/C=C/C[NH+]1CCOCC1)C(F)F ZINC000876864786 584150709 /nfs/dbraw/zinc/15/07/09/584150709.db2.gz VRKKHIKLZHURTC-TXXBHVLJSA-N 2 2 277.315 -0.027 20 0 CBADLP O=C(/C=C/C[NH+]1CCOCC1)NC[C@@H]1C[NH2+]CCCO1 ZINC000876871913 584151861 /nfs/dbraw/zinc/15/18/61/584151861.db2.gz ZXMLXPCVPIBGBO-CHWPNHQFSA-N 2 2 283.372 -0.631 20 0 CBADLP O=C(/C=C\C[NH+]1CCOCC1)NC[C@@H]1C[NH2+]CCCO1 ZINC000876871918 584151910 /nfs/dbraw/zinc/15/19/10/584151910.db2.gz ZXMLXPCVPIBGBO-MTMQSLQUSA-N 2 2 283.372 -0.631 20 0 CBADLP CCO[C@@H]1CN(C(=O)/C=C\C[NH+]2CCOCC2)C[C@H]1C[NH3+] ZINC000876948990 584157623 /nfs/dbraw/zinc/15/76/23/584157623.db2.gz NJKGIKZQWKXLHS-JHZNUDOXSA-N 2 2 297.399 -0.303 20 0 CBADLP CCO[C@@H]1CN(C(=O)/C=C/C[NH+]2CCOCC2)C[C@H]1C[NH3+] ZINC000876948991 584157628 /nfs/dbraw/zinc/15/76/28/584157628.db2.gz NJKGIKZQWKXLHS-LSMGEYOZSA-N 2 2 297.399 -0.303 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000877036779 584162986 /nfs/dbraw/zinc/16/29/86/584162986.db2.gz VIEZPZNOUSNIKA-RYUDHWBXSA-N 2 2 271.361 -0.798 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000877036779 584162988 /nfs/dbraw/zinc/16/29/88/584162988.db2.gz VIEZPZNOUSNIKA-RYUDHWBXSA-N 2 2 271.361 -0.798 20 0 CBADLP O=C(NC[C@H]1COCC[NH2+]1)c1ccc(-n2cc[nH+]c2)nc1 ZINC000877039103 584163472 /nfs/dbraw/zinc/16/34/72/584163472.db2.gz HDCLZWPCKMJRID-LBPRGKRZSA-N 2 2 287.323 -0.015 20 0 CBADLP C[C@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[NH2+]CC1=O ZINC000877245525 584171937 /nfs/dbraw/zinc/17/19/37/584171937.db2.gz FIMQSNIHIVHWFJ-FVCCEPFGSA-N 2 2 294.399 -0.547 20 0 CBADLP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)C1(O)C[NH2+]C1 ZINC000877247523 584172292 /nfs/dbraw/zinc/17/22/92/584172292.db2.gz NSPUSJIKSCOPSH-LBPRGKRZSA-N 2 2 261.325 -0.376 20 0 CBADLP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)C1(O)C[NH2+]C1 ZINC000877247523 584172293 /nfs/dbraw/zinc/17/22/93/584172293.db2.gz NSPUSJIKSCOPSH-LBPRGKRZSA-N 2 2 261.325 -0.376 20 0 CBADLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2cccc(S(N)(=O)=O)c2)C1 ZINC000877363018 584179702 /nfs/dbraw/zinc/17/97/02/584179702.db2.gz AMXSXTRBNZFJEA-ZDUSSCGKSA-N 2 2 299.396 -0.510 20 0 CBADLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2cccc(S(N)(=O)=O)c2)C1 ZINC000877363018 584179705 /nfs/dbraw/zinc/17/97/05/584179705.db2.gz AMXSXTRBNZFJEA-ZDUSSCGKSA-N 2 2 299.396 -0.510 20 0 CBADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000877433149 584181115 /nfs/dbraw/zinc/18/11/15/584181115.db2.gz KNSURJDECFJOJF-CHWSQXEVSA-N 2 2 285.388 -0.408 20 0 CBADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000877433149 584181117 /nfs/dbraw/zinc/18/11/17/584181117.db2.gz KNSURJDECFJOJF-CHWSQXEVSA-N 2 2 285.388 -0.408 20 0 CBADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000877433151 584181191 /nfs/dbraw/zinc/18/11/91/584181191.db2.gz KNSURJDECFJOJF-QWHCGFSZSA-N 2 2 285.388 -0.408 20 0 CBADLP CC[C@H]1COCC[N@H+]1CCNC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000877433151 584181193 /nfs/dbraw/zinc/18/11/93/584181193.db2.gz KNSURJDECFJOJF-QWHCGFSZSA-N 2 2 285.388 -0.408 20 0 CBADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)C[NH2+]C1CC1 ZINC000877434011 584181492 /nfs/dbraw/zinc/18/14/92/584181492.db2.gz LXUVITLZUYJZKT-GFCCVEGCSA-N 2 2 255.362 -0.035 20 0 CBADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)C[NH2+]C1CC1 ZINC000877434011 584181494 /nfs/dbraw/zinc/18/14/94/584181494.db2.gz LXUVITLZUYJZKT-GFCCVEGCSA-N 2 2 255.362 -0.035 20 0 CBADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000877434537 584182002 /nfs/dbraw/zinc/18/20/02/584182002.db2.gz RWPRJKLHLCIHBQ-JHJVBQTASA-N 2 2 285.388 -0.423 20 0 CBADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000877434537 584182003 /nfs/dbraw/zinc/18/20/03/584182003.db2.gz RWPRJKLHLCIHBQ-JHJVBQTASA-N 2 2 285.388 -0.423 20 0 CBADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)C[C@H]1COCC[NH2+]1 ZINC000877434813 584182049 /nfs/dbraw/zinc/18/20/49/584182049.db2.gz UXFQCYFTMKOIKD-STQMWFEESA-N 2 2 285.388 -0.408 20 0 CBADLP CC[C@H]1COCC[N@H+]1CCNC(=O)C[C@H]1COCC[NH2+]1 ZINC000877434813 584182052 /nfs/dbraw/zinc/18/20/52/584182052.db2.gz UXFQCYFTMKOIKD-STQMWFEESA-N 2 2 285.388 -0.408 20 0 CBADLP C[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@H]2C(N)=O)CC1 ZINC000877941530 584188528 /nfs/dbraw/zinc/18/85/28/584188528.db2.gz JBERMEYHLCPSTC-LBPRGKRZSA-N 2 2 282.388 -0.463 20 0 CBADLP C[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@H]2C(N)=O)CC1 ZINC000877941530 584188530 /nfs/dbraw/zinc/18/85/30/584188530.db2.gz JBERMEYHLCPSTC-LBPRGKRZSA-N 2 2 282.388 -0.463 20 0 CBADLP Cn1nnnc1CC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000878136094 584193920 /nfs/dbraw/zinc/19/39/20/584193920.db2.gz WHYRXDJHOBOYPO-GFCCVEGCSA-N 2 2 280.376 -0.593 20 0 CBADLP Cn1nnnc1CC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000878136094 584193922 /nfs/dbraw/zinc/19/39/22/584193922.db2.gz WHYRXDJHOBOYPO-GFCCVEGCSA-N 2 2 280.376 -0.593 20 0 CBADLP Cn1cc[nH+]c1N1CC[NH+](CCc2nnnn2C)CC1 ZINC000878285607 584198345 /nfs/dbraw/zinc/19/83/45/584198345.db2.gz DCSHJVRKGFTGRK-UHFFFAOYSA-N 2 2 276.348 -0.692 20 0 CBADLP C[NH+]1CCC(NC(=O)C[N@@H+]2CCN3CCOC[C@H]3C2)CC1 ZINC000878429917 584202609 /nfs/dbraw/zinc/20/26/09/584202609.db2.gz RGPPPCRYDLYJOD-CQSZACIVSA-N 2 2 296.415 -0.787 20 0 CBADLP C[NH+]1CCC(NC(=O)C[N@H+]2CCN3CCOC[C@H]3C2)CC1 ZINC000878429917 584202613 /nfs/dbraw/zinc/20/26/13/584202613.db2.gz RGPPPCRYDLYJOD-CQSZACIVSA-N 2 2 296.415 -0.787 20 0 CBADLP C[C@@H](O)C[C@H]1COCC[N@@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000878436838 584202810 /nfs/dbraw/zinc/20/28/10/584202810.db2.gz FWSLWLFBBRRSPB-OCCSQVGLSA-N 2 2 299.415 -0.332 20 0 CBADLP C[C@@H](O)C[C@H]1COCC[N@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000878436838 584202812 /nfs/dbraw/zinc/20/28/12/584202812.db2.gz FWSLWLFBBRRSPB-OCCSQVGLSA-N 2 2 299.415 -0.332 20 0 CBADLP C[C@@H](O)C[C@@H]1COCC[N@@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000878436839 584202942 /nfs/dbraw/zinc/20/29/42/584202942.db2.gz FWSLWLFBBRRSPB-TZMCWYRMSA-N 2 2 299.415 -0.332 20 0 CBADLP C[C@@H](O)C[C@@H]1COCC[N@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000878436839 584202946 /nfs/dbraw/zinc/20/29/46/584202946.db2.gz FWSLWLFBBRRSPB-TZMCWYRMSA-N 2 2 299.415 -0.332 20 0 CBADLP C[NH+]1CCC(NC(=O)C[N@@H+]2CCO[C@]3(CCOC3)C2)CC1 ZINC000878440114 584203001 /nfs/dbraw/zinc/20/30/01/584203001.db2.gz CVEAXIALBWHFNA-OAHLLOKOSA-N 2 2 297.399 -0.312 20 0 CBADLP C[NH+]1CCC(NC(=O)C[N@H+]2CCO[C@]3(CCOC3)C2)CC1 ZINC000878440114 584203002 /nfs/dbraw/zinc/20/30/02/584203002.db2.gz CVEAXIALBWHFNA-OAHLLOKOSA-N 2 2 297.399 -0.312 20 0 CBADLP C[C@@H]1CC[N@H+](CC(=O)NC2CC[NH+](C)CC2)[C@H](C(N)=O)C1 ZINC000878466767 584204289 /nfs/dbraw/zinc/20/42/89/584204289.db2.gz PHYJIDZBBSQTBV-YPMHNXCESA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@@H]1CC[N@@H+](CC(=O)NC2CC[NH+](C)CC2)[C@H](C(N)=O)C1 ZINC000878466767 584204291 /nfs/dbraw/zinc/20/42/91/584204291.db2.gz PHYJIDZBBSQTBV-YPMHNXCESA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@H]1CC[N@H+](CC(=O)NC2CC[NH+](C)CC2)[C@H](C(N)=O)C1 ZINC000878466764 584204365 /nfs/dbraw/zinc/20/43/65/584204365.db2.gz PHYJIDZBBSQTBV-AAEUAGOBSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@H]1CC[N@@H+](CC(=O)NC2CC[NH+](C)CC2)[C@H](C(N)=O)C1 ZINC000878466764 584204366 /nfs/dbraw/zinc/20/43/66/584204366.db2.gz PHYJIDZBBSQTBV-AAEUAGOBSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@H]1COCC[N@@H+]1C1CC[NH+](CCn2cnnn2)CC1 ZINC000878635788 584211091 /nfs/dbraw/zinc/21/10/91/584211091.db2.gz PYUSONKQWQTPMX-LBPRGKRZSA-N 2 2 280.376 -0.142 20 0 CBADLP C[C@H]1COCC[N@H+]1C1CC[NH+](CCn2cnnn2)CC1 ZINC000878635788 584211092 /nfs/dbraw/zinc/21/10/92/584211092.db2.gz PYUSONKQWQTPMX-LBPRGKRZSA-N 2 2 280.376 -0.142 20 0 CBADLP OCC1([NH2+]CC2CC2)CC[NH+](CCn2cnnn2)CC1 ZINC000878693749 584214177 /nfs/dbraw/zinc/21/41/77/584214177.db2.gz HEDBTBMOJCURNY-UHFFFAOYSA-N 2 2 280.376 -0.500 20 0 CBADLP C[N@H+](C[C@@H](O)C[NH+]1CCC([C@H](F)C(N)=O)CC1)C1CC1 ZINC000879042579 584224691 /nfs/dbraw/zinc/22/46/91/584224691.db2.gz AUHSWXWKKNVLPG-OLZOCXBDSA-N 2 2 287.379 -0.023 20 0 CBADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC([C@H](F)C(N)=O)CC1)C1CC1 ZINC000879042579 584224692 /nfs/dbraw/zinc/22/46/92/584224692.db2.gz AUHSWXWKKNVLPG-OLZOCXBDSA-N 2 2 287.379 -0.023 20 0 CBADLP C[N@H+](C[C@H](O)C[NH+]1CCC([C@H](F)C(N)=O)CC1)C1CC1 ZINC000879042584 584224702 /nfs/dbraw/zinc/22/47/02/584224702.db2.gz AUHSWXWKKNVLPG-STQMWFEESA-N 2 2 287.379 -0.023 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH+]1CCC([C@H](F)C(N)=O)CC1)C1CC1 ZINC000879042584 584224704 /nfs/dbraw/zinc/22/47/04/584224704.db2.gz AUHSWXWKKNVLPG-STQMWFEESA-N 2 2 287.379 -0.023 20 0 CBADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H]1CC2(CC2)C(=O)O1 ZINC000879355857 584233303 /nfs/dbraw/zinc/23/33/03/584233303.db2.gz PRFKOLHDIBUKTB-GFCCVEGCSA-N 2 2 295.383 -0.212 20 0 CBADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H]1CC2(CC2)C(=O)O1 ZINC000879355857 584233305 /nfs/dbraw/zinc/23/33/05/584233305.db2.gz PRFKOLHDIBUKTB-GFCCVEGCSA-N 2 2 295.383 -0.212 20 0 CBADLP C[N@H+](CCC(=O)N1CCCC1)CC(=O)N1CC[NH+](C)CC1 ZINC000879356029 584233413 /nfs/dbraw/zinc/23/34/13/584233413.db2.gz WIDPMMSSSYGAKD-UHFFFAOYSA-N 2 2 296.415 -0.295 20 0 CBADLP C[N@@H+](CCC(=O)N1CCCC1)CC(=O)N1CC[NH+](C)CC1 ZINC000879356029 584233415 /nfs/dbraw/zinc/23/34/15/584233415.db2.gz WIDPMMSSSYGAKD-UHFFFAOYSA-N 2 2 296.415 -0.295 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@]2(CC(C(=O)OC)=NO2)C1 ZINC000879490808 584237629 /nfs/dbraw/zinc/23/76/29/584237629.db2.gz XDCDKELDIRFQQT-FZMZJTMJSA-N 2 2 299.371 -0.307 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@]2(CC(C(=O)OC)=NO2)C1 ZINC000879490808 584237631 /nfs/dbraw/zinc/23/76/31/584237631.db2.gz XDCDKELDIRFQQT-FZMZJTMJSA-N 2 2 299.371 -0.307 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@]2(CC(C(=O)OC)=NO2)C1 ZINC000879490808 584237632 /nfs/dbraw/zinc/23/76/32/584237632.db2.gz XDCDKELDIRFQQT-FZMZJTMJSA-N 2 2 299.371 -0.307 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@]2(CC(C(=O)OC)=NO2)C1 ZINC000879490808 584237634 /nfs/dbraw/zinc/23/76/34/584237634.db2.gz XDCDKELDIRFQQT-FZMZJTMJSA-N 2 2 299.371 -0.307 20 0 CBADLP CCS(=O)(=O)NCC[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879572118 584241288 /nfs/dbraw/zinc/24/12/88/584241288.db2.gz FKQPJPAGSOYUMW-RYUDHWBXSA-N 2 2 275.418 -0.048 20 0 CBADLP CCS(=O)(=O)NCC[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879572118 584241290 /nfs/dbraw/zinc/24/12/90/584241290.db2.gz FKQPJPAGSOYUMW-RYUDHWBXSA-N 2 2 275.418 -0.048 20 0 CBADLP CCS(=O)(=O)NCC[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879572118 584241293 /nfs/dbraw/zinc/24/12/93/584241293.db2.gz FKQPJPAGSOYUMW-RYUDHWBXSA-N 2 2 275.418 -0.048 20 0 CBADLP CCS(=O)(=O)NCC[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879572118 584241294 /nfs/dbraw/zinc/24/12/94/584241294.db2.gz FKQPJPAGSOYUMW-RYUDHWBXSA-N 2 2 275.418 -0.048 20 0 CBADLP C[N@@H+]1CC[C@@H]2C[NH+]([C@H]3CCC(=O)NC3=O)CC[C@@H]21 ZINC000879579646 584241764 /nfs/dbraw/zinc/24/17/64/584241764.db2.gz AONCMEIQEQPQMC-VWYCJHECSA-N 2 2 251.330 -0.182 20 0 CBADLP C[N@H+]1CC[C@@H]2C[NH+]([C@H]3CCC(=O)NC3=O)CC[C@@H]21 ZINC000879579646 584241766 /nfs/dbraw/zinc/24/17/66/584241766.db2.gz AONCMEIQEQPQMC-VWYCJHECSA-N 2 2 251.330 -0.182 20 0 CBADLP C[NH+]1CC[C@@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)CC[C@@H]21 ZINC000879579646 584241768 /nfs/dbraw/zinc/24/17/68/584241768.db2.gz AONCMEIQEQPQMC-VWYCJHECSA-N 2 2 251.330 -0.182 20 0 CBADLP C[NH+]1CC[C@@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)CC[C@@H]21 ZINC000879579646 584241769 /nfs/dbraw/zinc/24/17/69/584241769.db2.gz AONCMEIQEQPQMC-VWYCJHECSA-N 2 2 251.330 -0.182 20 0 CBADLP CN1CC(=O)N(CC[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)C1=O ZINC000879579684 584241955 /nfs/dbraw/zinc/24/19/55/584241955.db2.gz OFTJXYNBUWJWSW-VXGBXAGGSA-N 2 2 280.372 -0.094 20 0 CBADLP CN1CC(=O)N(CC[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)C1=O ZINC000879579684 584241957 /nfs/dbraw/zinc/24/19/57/584241957.db2.gz OFTJXYNBUWJWSW-VXGBXAGGSA-N 2 2 280.372 -0.094 20 0 CBADLP CN1CC(=O)N(CC[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)C1=O ZINC000879579684 584241959 /nfs/dbraw/zinc/24/19/59/584241959.db2.gz OFTJXYNBUWJWSW-VXGBXAGGSA-N 2 2 280.372 -0.094 20 0 CBADLP CN1CC(=O)N(CC[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)C1=O ZINC000879579684 584241961 /nfs/dbraw/zinc/24/19/61/584241961.db2.gz OFTJXYNBUWJWSW-VXGBXAGGSA-N 2 2 280.372 -0.094 20 0 CBADLP CNS(=O)(=O)CC[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879579925 584242079 /nfs/dbraw/zinc/24/20/79/584242079.db2.gz QJVHNBOXWHJJTN-MNOVXSKESA-N 2 2 261.391 -0.438 20 0 CBADLP CNS(=O)(=O)CC[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879579925 584242082 /nfs/dbraw/zinc/24/20/82/584242082.db2.gz QJVHNBOXWHJJTN-MNOVXSKESA-N 2 2 261.391 -0.438 20 0 CBADLP CNS(=O)(=O)CC[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879579925 584242083 /nfs/dbraw/zinc/24/20/83/584242083.db2.gz QJVHNBOXWHJJTN-MNOVXSKESA-N 2 2 261.391 -0.438 20 0 CBADLP CNS(=O)(=O)CC[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879579925 584242085 /nfs/dbraw/zinc/24/20/85/584242085.db2.gz QJVHNBOXWHJJTN-MNOVXSKESA-N 2 2 261.391 -0.438 20 0 CBADLP OCC1(CO)CC[NH+](C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000879968117 584256847 /nfs/dbraw/zinc/25/68/47/584256847.db2.gz IOUFPSLDIOFLKL-ZDUSSCGKSA-N 2 2 272.389 -0.490 20 0 CBADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC(CO)(CO)CC1 ZINC000879970857 584257267 /nfs/dbraw/zinc/25/72/67/584257267.db2.gz FNUWBFPQQPSIGQ-ZDUSSCGKSA-N 2 2 274.405 -0.246 20 0 CBADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC(CO)(CO)CC1 ZINC000879970857 584257269 /nfs/dbraw/zinc/25/72/69/584257269.db2.gz FNUWBFPQQPSIGQ-ZDUSSCGKSA-N 2 2 274.405 -0.246 20 0 CBADLP C[N@@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCCS(N)(=O)=O ZINC000880130675 584263390 /nfs/dbraw/zinc/26/33/90/584263390.db2.gz FTUIXDLPROBTDE-MNOVXSKESA-N 2 2 261.391 -0.167 20 0 CBADLP C[N@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCCS(N)(=O)=O ZINC000880130675 584263392 /nfs/dbraw/zinc/26/33/92/584263392.db2.gz FTUIXDLPROBTDE-MNOVXSKESA-N 2 2 261.391 -0.167 20 0 CBADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@@H+]2CCCS(N)(=O)=O ZINC000880130675 584263393 /nfs/dbraw/zinc/26/33/93/584263393.db2.gz FTUIXDLPROBTDE-MNOVXSKESA-N 2 2 261.391 -0.167 20 0 CBADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@H+]2CCCS(N)(=O)=O ZINC000880130675 584263395 /nfs/dbraw/zinc/26/33/95/584263395.db2.gz FTUIXDLPROBTDE-MNOVXSKESA-N 2 2 261.391 -0.167 20 0 CBADLP COC(=O)CNC(=O)CC[N@@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000880135120 584263790 /nfs/dbraw/zinc/26/37/90/584263790.db2.gz ZVLQIDZQVPARLI-NWDGAFQWSA-N 2 2 283.372 -0.166 20 0 CBADLP COC(=O)CNC(=O)CC[N@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000880135120 584263792 /nfs/dbraw/zinc/26/37/92/584263792.db2.gz ZVLQIDZQVPARLI-NWDGAFQWSA-N 2 2 283.372 -0.166 20 0 CBADLP COC(=O)CNC(=O)CC[NH+]1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000880135120 584263794 /nfs/dbraw/zinc/26/37/94/584263794.db2.gz ZVLQIDZQVPARLI-NWDGAFQWSA-N 2 2 283.372 -0.166 20 0 CBADLP COC(=O)CNC(=O)CC[NH+]1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000880135120 584263795 /nfs/dbraw/zinc/26/37/95/584263795.db2.gz ZVLQIDZQVPARLI-NWDGAFQWSA-N 2 2 283.372 -0.166 20 0 CBADLP COC(=O)CNC(=O)CC[N@@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000880135124 584264023 /nfs/dbraw/zinc/26/40/23/584264023.db2.gz ZVLQIDZQVPARLI-VXGBXAGGSA-N 2 2 283.372 -0.166 20 0 CBADLP COC(=O)CNC(=O)CC[N@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000880135124 584264024 /nfs/dbraw/zinc/26/40/24/584264024.db2.gz ZVLQIDZQVPARLI-VXGBXAGGSA-N 2 2 283.372 -0.166 20 0 CBADLP COC(=O)CNC(=O)CC[NH+]1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000880135124 584264025 /nfs/dbraw/zinc/26/40/25/584264025.db2.gz ZVLQIDZQVPARLI-VXGBXAGGSA-N 2 2 283.372 -0.166 20 0 CBADLP COC(=O)CNC(=O)CC[NH+]1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000880135124 584264026 /nfs/dbraw/zinc/26/40/26/584264026.db2.gz ZVLQIDZQVPARLI-VXGBXAGGSA-N 2 2 283.372 -0.166 20 0 CBADLP COC(=O)CNC(=O)CC[N@@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000880135118 584264052 /nfs/dbraw/zinc/26/40/52/584264052.db2.gz ZVLQIDZQVPARLI-NEPJUHHUSA-N 2 2 283.372 -0.166 20 0 CBADLP COC(=O)CNC(=O)CC[N@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000880135118 584264053 /nfs/dbraw/zinc/26/40/53/584264053.db2.gz ZVLQIDZQVPARLI-NEPJUHHUSA-N 2 2 283.372 -0.166 20 0 CBADLP COC(=O)CNC(=O)CC[NH+]1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000880135118 584264054 /nfs/dbraw/zinc/26/40/54/584264054.db2.gz ZVLQIDZQVPARLI-NEPJUHHUSA-N 2 2 283.372 -0.166 20 0 CBADLP COC(=O)CNC(=O)CC[NH+]1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000880135118 584264055 /nfs/dbraw/zinc/26/40/55/584264055.db2.gz ZVLQIDZQVPARLI-NEPJUHHUSA-N 2 2 283.372 -0.166 20 0 CBADLP CNC(=O)C[NH+](CCCCn1cc[nH+]c1C)CC(=O)NC ZINC000880152482 584264497 /nfs/dbraw/zinc/26/44/97/584264497.db2.gz JRDQSKOTHRLAFM-UHFFFAOYSA-N 2 2 295.387 -0.234 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCNC(=O)CC12CCC2 ZINC000880168645 584266679 /nfs/dbraw/zinc/26/66/79/584266679.db2.gz SZOQANMGFLCWCX-CYBMUJFWSA-N 2 2 299.415 -0.330 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCNC(=O)CC12CCC2 ZINC000880168645 584266680 /nfs/dbraw/zinc/26/66/80/584266680.db2.gz SZOQANMGFLCWCX-CYBMUJFWSA-N 2 2 299.415 -0.330 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCNC(=O)CC12CCC2 ZINC000880168645 584266682 /nfs/dbraw/zinc/26/66/82/584266682.db2.gz SZOQANMGFLCWCX-CYBMUJFWSA-N 2 2 299.415 -0.330 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCNC(=O)CC12CCC2 ZINC000880168645 584266684 /nfs/dbraw/zinc/26/66/84/584266684.db2.gz SZOQANMGFLCWCX-CYBMUJFWSA-N 2 2 299.415 -0.330 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1C[C@H]2CN(C(C)=O)C[C@H]2C1 ZINC000880312929 584269049 /nfs/dbraw/zinc/26/90/49/584269049.db2.gz ZTQVPEUDELQQBJ-HZSPNIEDSA-N 2 2 269.389 -0.291 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@H]2CN(C(C)=O)C[C@H]2C1 ZINC000880312929 584269051 /nfs/dbraw/zinc/26/90/51/584269051.db2.gz ZTQVPEUDELQQBJ-HZSPNIEDSA-N 2 2 269.389 -0.291 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@H+]1C[C@H]2CN(C(C)=O)C[C@H]2C1 ZINC000880312929 584269053 /nfs/dbraw/zinc/26/90/53/584269053.db2.gz ZTQVPEUDELQQBJ-HZSPNIEDSA-N 2 2 269.389 -0.291 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@H]2CN(C(C)=O)C[C@H]2C1 ZINC000880312929 584269055 /nfs/dbraw/zinc/26/90/55/584269055.db2.gz ZTQVPEUDELQQBJ-HZSPNIEDSA-N 2 2 269.389 -0.291 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)[C@H]1CCOC[C@@H]1OC ZINC000880436717 584273994 /nfs/dbraw/zinc/27/39/94/584273994.db2.gz AFBOPOSHDXVERF-IHRRRGAJSA-N 2 2 290.404 -0.339 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)[C@H]1CCOC[C@@H]1OC ZINC000880436717 584273995 /nfs/dbraw/zinc/27/39/95/584273995.db2.gz AFBOPOSHDXVERF-IHRRRGAJSA-N 2 2 290.404 -0.339 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)[C@H]1CCOC[C@@H]1OC ZINC000880436717 584273996 /nfs/dbraw/zinc/27/39/96/584273996.db2.gz AFBOPOSHDXVERF-IHRRRGAJSA-N 2 2 290.404 -0.339 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)[C@H]1CCOC[C@@H]1OC ZINC000880436717 584273997 /nfs/dbraw/zinc/27/39/97/584273997.db2.gz AFBOPOSHDXVERF-IHRRRGAJSA-N 2 2 290.404 -0.339 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1[C@@H](C)CC[C@H]1CO ZINC000880443336 584274336 /nfs/dbraw/zinc/27/43/36/584274336.db2.gz GWQXLHWKCPXQEZ-RWMBFGLXSA-N 2 2 260.378 -0.229 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1[C@@H](C)CC[C@H]1CO ZINC000880443336 584274338 /nfs/dbraw/zinc/27/43/38/584274338.db2.gz GWQXLHWKCPXQEZ-RWMBFGLXSA-N 2 2 260.378 -0.229 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1[C@@H](C)CC[C@H]1CO ZINC000880443336 584274341 /nfs/dbraw/zinc/27/43/41/584274341.db2.gz GWQXLHWKCPXQEZ-RWMBFGLXSA-N 2 2 260.378 -0.229 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1[C@@H](C)CC[C@H]1CO ZINC000880443336 584274343 /nfs/dbraw/zinc/27/43/43/584274343.db2.gz GWQXLHWKCPXQEZ-RWMBFGLXSA-N 2 2 260.378 -0.229 20 0 CBADLP COC(=O)[C@]1(O)CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000880565667 584281188 /nfs/dbraw/zinc/28/11/88/584281188.db2.gz FUPFQZMOEPNFSE-LBPRGKRZSA-N 2 2 253.302 -0.117 20 0 CBADLP COC(=O)[C@]1(O)CC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000880565667 584281190 /nfs/dbraw/zinc/28/11/90/584281190.db2.gz FUPFQZMOEPNFSE-LBPRGKRZSA-N 2 2 253.302 -0.117 20 0 CBADLP COC(=O)[C@]1(O)CC[N@H+](Cc2cc[nH+]c(N)c2)C1 ZINC000880567117 584282177 /nfs/dbraw/zinc/28/21/77/584282177.db2.gz VZAATUXFUIHFFH-LBPRGKRZSA-N 2 2 251.286 -0.226 20 0 CBADLP COC(=O)[C@]1(O)CC[N@@H+](Cc2cc[nH+]c(N)c2)C1 ZINC000880567117 584282178 /nfs/dbraw/zinc/28/21/78/584282178.db2.gz VZAATUXFUIHFFH-LBPRGKRZSA-N 2 2 251.286 -0.226 20 0 CBADLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000882631082 584321063 /nfs/dbraw/zinc/32/10/63/584321063.db2.gz GMGKQZCIDZTNEM-CQSZACIVSA-N 2 2 298.431 -0.539 20 0 CBADLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000882631082 584321065 /nfs/dbraw/zinc/32/10/65/584321065.db2.gz GMGKQZCIDZTNEM-CQSZACIVSA-N 2 2 298.431 -0.539 20 0 CBADLP CC[N@@H+]1CC[C@@H]1CNS(=O)(=O)C[C@@H]1C[NH+](C)CCO1 ZINC000882763417 584324731 /nfs/dbraw/zinc/32/47/31/584324731.db2.gz NTAOMFSEAWNNJM-NEPJUHHUSA-N 2 2 291.417 -0.669 20 0 CBADLP CC[N@H+]1CC[C@@H]1CNS(=O)(=O)C[C@@H]1C[NH+](C)CCO1 ZINC000882763417 584324733 /nfs/dbraw/zinc/32/47/33/584324733.db2.gz NTAOMFSEAWNNJM-NEPJUHHUSA-N 2 2 291.417 -0.669 20 0 CBADLP CC[NH+]1CC[C@@H]1CNS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000882763417 584324734 /nfs/dbraw/zinc/32/47/34/584324734.db2.gz NTAOMFSEAWNNJM-NEPJUHHUSA-N 2 2 291.417 -0.669 20 0 CBADLP CC[NH+]1CC[C@@H]1CNS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000882763417 584324736 /nfs/dbraw/zinc/32/47/36/584324736.db2.gz NTAOMFSEAWNNJM-NEPJUHHUSA-N 2 2 291.417 -0.669 20 0 CBADLP C[C@H]([NH2+]CC[N@H+](C)CCOCCO)[C@H]1CCOC1 ZINC000883349718 584340091 /nfs/dbraw/zinc/34/00/91/584340091.db2.gz KQONPOVTYKIWLT-STQMWFEESA-N 2 2 260.378 -0.058 20 0 CBADLP C[C@H]([NH2+]CC[N@@H+](C)CCOCCO)[C@H]1CCOC1 ZINC000883349718 584340093 /nfs/dbraw/zinc/34/00/93/584340093.db2.gz KQONPOVTYKIWLT-STQMWFEESA-N 2 2 260.378 -0.058 20 0 CBADLP C[C@H]1C[C@H]([NH2+]CCN(C)CCOCCO)CC[N@@H+]1C ZINC000883349571 584340108 /nfs/dbraw/zinc/34/01/08/584340108.db2.gz GCUYZOORXKLSRS-UONOGXRCSA-N 2 2 273.421 -0.001 20 0 CBADLP C[C@H]1C[C@H]([NH2+]CCN(C)CCOCCO)CC[N@H+]1C ZINC000883349571 584340109 /nfs/dbraw/zinc/34/01/09/584340109.db2.gz GCUYZOORXKLSRS-UONOGXRCSA-N 2 2 273.421 -0.001 20 0 CBADLP [NH3+]CC[N@H+](CCO)C[C@@H]1CCC2(CCOCC2)O1 ZINC000883424689 584341804 /nfs/dbraw/zinc/34/18/04/584341804.db2.gz AZEDPTKFKSDUMS-LBPRGKRZSA-N 2 2 258.362 -0.032 20 0 CBADLP [NH3+]CC[N@@H+](CCO)C[C@@H]1CCC2(CCOCC2)O1 ZINC000883424689 584341805 /nfs/dbraw/zinc/34/18/05/584341805.db2.gz AZEDPTKFKSDUMS-LBPRGKRZSA-N 2 2 258.362 -0.032 20 0 CBADLP CN(C(=O)C(=O)N1CC[NH+](C)CC1)C1(C[NH3+])CCCCC1 ZINC000883652586 584346142 /nfs/dbraw/zinc/34/61/42/584346142.db2.gz TYPPYHPIBBVLGV-UHFFFAOYSA-N 2 2 296.415 -0.120 20 0 CBADLP CC[N@@H+]1CC[C@@H]1CNC(=O)NC[C@@H]1COCC[NH+]1C ZINC000883742385 584347886 /nfs/dbraw/zinc/34/78/86/584347886.db2.gz DCLBLPYDYHLBPP-VXGBXAGGSA-N 2 2 270.377 -0.290 20 0 CBADLP CC[N@H+]1CC[C@@H]1CNC(=O)NC[C@@H]1COCC[NH+]1C ZINC000883742385 584347887 /nfs/dbraw/zinc/34/78/87/584347887.db2.gz DCLBLPYDYHLBPP-VXGBXAGGSA-N 2 2 270.377 -0.290 20 0 CBADLP CC[NH+]1CC[C@@H]1CNC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000883742385 584347888 /nfs/dbraw/zinc/34/78/88/584347888.db2.gz DCLBLPYDYHLBPP-VXGBXAGGSA-N 2 2 270.377 -0.290 20 0 CBADLP CC[NH+]1CC[C@@H]1CNC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000883742385 584347889 /nfs/dbraw/zinc/34/78/89/584347889.db2.gz DCLBLPYDYHLBPP-VXGBXAGGSA-N 2 2 270.377 -0.290 20 0 CBADLP C[C@H](C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])c1cncnc1 ZINC000884041984 584357214 /nfs/dbraw/zinc/35/72/14/584357214.db2.gz MTZJJKPIQFYSAC-JQWIXIFHSA-N 2 2 263.345 -0.319 20 0 CBADLP C[C@H](C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])c1cncnc1 ZINC000884041984 584357217 /nfs/dbraw/zinc/35/72/17/584357217.db2.gz MTZJJKPIQFYSAC-JQWIXIFHSA-N 2 2 263.345 -0.319 20 0 CBADLP CO[C@@H](C[NH3+])C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000884213360 584367736 /nfs/dbraw/zinc/36/77/36/584367736.db2.gz ZGHJQYKAVCBRKQ-VWYCJHECSA-N 2 2 259.350 -0.815 20 0 CBADLP COCC[C@H]([NH3+])C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000884316531 584374034 /nfs/dbraw/zinc/37/40/34/584374034.db2.gz VLPVHJCESPLFEF-LBPRGKRZSA-N 2 2 293.371 -0.203 20 0 CBADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)c1ncoc1C[NH3+] ZINC000884401511 584379142 /nfs/dbraw/zinc/37/91/42/584379142.db2.gz SBIIKSDBJUEBLD-ZJUUUORDSA-N 2 2 282.344 -0.028 20 0 CBADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1ncoc1C[NH3+] ZINC000884401511 584379143 /nfs/dbraw/zinc/37/91/43/584379143.db2.gz SBIIKSDBJUEBLD-ZJUUUORDSA-N 2 2 282.344 -0.028 20 0 CBADLP CO[C@@H](C[NH3+])C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000884401568 584379264 /nfs/dbraw/zinc/37/92/64/584379264.db2.gz UOGWTXKUPATRQJ-MXWKQRLJSA-N 2 2 259.350 -0.815 20 0 CBADLP CO[C@@H](C[NH3+])C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000884401568 584379266 /nfs/dbraw/zinc/37/92/66/584379266.db2.gz UOGWTXKUPATRQJ-MXWKQRLJSA-N 2 2 259.350 -0.815 20 0 CBADLP COCC[C@H]([NH3+])C(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000884401105 584379274 /nfs/dbraw/zinc/37/92/74/584379274.db2.gz FBXRDNFSJGAHKM-SRVKXCTJSA-N 2 2 273.377 -0.424 20 0 CBADLP COCC[C@H]([NH3+])C(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000884401105 584379276 /nfs/dbraw/zinc/37/92/76/584379276.db2.gz FBXRDNFSJGAHKM-SRVKXCTJSA-N 2 2 273.377 -0.424 20 0 CBADLP Cn1cc[nH+]c1CNC(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000884629188 584391952 /nfs/dbraw/zinc/39/19/52/584391952.db2.gz BXBTUQMPDBOXPJ-SNVBAGLBSA-N 2 2 279.344 -0.624 20 0 CBADLP Cn1cc[nH+]c1CNC(=O)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000884629415 584391977 /nfs/dbraw/zinc/39/19/77/584391977.db2.gz LYECMYOGUYVGRW-NSHDSACASA-N 2 2 293.371 -0.234 20 0 CBADLP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)C(=O)NCCC[NH3+] ZINC000884673303 584394275 /nfs/dbraw/zinc/39/42/75/584394275.db2.gz SRZLJAXBSUWKCV-ZDUSSCGKSA-N 2 2 290.367 -0.246 20 0 CBADLP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)C(=O)NCCC[NH3+] ZINC000884673303 584394276 /nfs/dbraw/zinc/39/42/76/584394276.db2.gz SRZLJAXBSUWKCV-ZDUSSCGKSA-N 2 2 290.367 -0.246 20 0 CBADLP C[NH+](C)CCN1CC[N@H+](C[C@@](C)(O)C(F)F)CC1=O ZINC000886267649 584435663 /nfs/dbraw/zinc/43/56/63/584435663.db2.gz RSLKUSXUHZJEQM-GFCCVEGCSA-N 2 2 279.331 -0.292 20 0 CBADLP C[NH+](C)CCN1CC[N@@H+](C[C@@](C)(O)C(F)F)CC1=O ZINC000886267649 584435664 /nfs/dbraw/zinc/43/56/64/584435664.db2.gz RSLKUSXUHZJEQM-GFCCVEGCSA-N 2 2 279.331 -0.292 20 0 CBADLP COC(=O)[C@H]1CC[C@@H]([NH2+]CC[N@@H+]2CC[C@@H](O)C2)C1 ZINC000886643110 584444070 /nfs/dbraw/zinc/44/40/70/584444070.db2.gz LIBIWLMQMPJBNY-QJPTWQEYSA-N 2 2 256.346 -0.016 20 0 CBADLP COC(=O)[C@H]1CC[C@@H]([NH2+]CC[N@H+]2CC[C@@H](O)C2)C1 ZINC000886643110 584444071 /nfs/dbraw/zinc/44/40/71/584444071.db2.gz LIBIWLMQMPJBNY-QJPTWQEYSA-N 2 2 256.346 -0.016 20 0 CBADLP COC(=O)[C@H]1CC[C@H]([NH2+]CC[N@@H+]2CC[C@@H](O)C2)C1 ZINC000886643111 584444083 /nfs/dbraw/zinc/44/40/83/584444083.db2.gz LIBIWLMQMPJBNY-SDDRHHMPSA-N 2 2 256.346 -0.016 20 0 CBADLP COC(=O)[C@H]1CC[C@H]([NH2+]CC[N@H+]2CC[C@@H](O)C2)C1 ZINC000886643111 584444084 /nfs/dbraw/zinc/44/40/84/584444084.db2.gz LIBIWLMQMPJBNY-SDDRHHMPSA-N 2 2 256.346 -0.016 20 0 CBADLP COC(=O)[C@@H]1CC[C@H]([NH2+]CC[N@@H+]2CC[C@H](O)C2)C1 ZINC000886644824 584444203 /nfs/dbraw/zinc/44/42/03/584444203.db2.gz LIBIWLMQMPJBNY-WOPDTQHZSA-N 2 2 256.346 -0.016 20 0 CBADLP COC(=O)[C@@H]1CC[C@H]([NH2+]CC[N@H+]2CC[C@H](O)C2)C1 ZINC000886644824 584444205 /nfs/dbraw/zinc/44/42/05/584444205.db2.gz LIBIWLMQMPJBNY-WOPDTQHZSA-N 2 2 256.346 -0.016 20 0 CBADLP NC(=O)NC(=O)C[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886872366 584450664 /nfs/dbraw/zinc/45/06/64/584450664.db2.gz QVQKEAARCNDNQX-LBPRGKRZSA-N 2 2 254.334 -0.353 20 0 CBADLP NC(=O)NC(=O)C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886872366 584450666 /nfs/dbraw/zinc/45/06/66/584450666.db2.gz QVQKEAARCNDNQX-LBPRGKRZSA-N 2 2 254.334 -0.353 20 0 CBADLP CN(CCCn1cc[nH+]c1)C(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000887087941 584462949 /nfs/dbraw/zinc/46/29/49/584462949.db2.gz DHUNDWLJJWORPW-GFCCVEGCSA-N 2 2 293.371 -0.319 20 0 CBADLP [NH3+]C[C@H]1CCCN1C(=O)NCC[NH+]1CCOCC1 ZINC000887281023 584465700 /nfs/dbraw/zinc/46/57/00/584465700.db2.gz NROZQRXEIPDHAU-LLVKDONJSA-N 2 2 256.350 -0.549 20 0 CBADLP CN1CCN(C(=O)[C@@]2(C)C[C@@H](O)C[NH+]2C)CC[N@H+](C)CC1 ZINC000888979453 584510759 /nfs/dbraw/zinc/51/07/59/584510759.db2.gz TZUVELWGWBYFFJ-UKRRQHHQSA-N 2 2 298.431 -0.853 20 0 CBADLP CN1CCN(C(=O)[C@@]2(C)C[C@@H](O)C[NH+]2C)CC[N@@H+](C)CC1 ZINC000888979453 584510760 /nfs/dbraw/zinc/51/07/60/584510760.db2.gz TZUVELWGWBYFFJ-UKRRQHHQSA-N 2 2 298.431 -0.853 20 0 CBADLP CN1CCN(C(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)CC[NH+](C)CC1 ZINC000888979453 584510761 /nfs/dbraw/zinc/51/07/61/584510761.db2.gz TZUVELWGWBYFFJ-UKRRQHHQSA-N 2 2 298.431 -0.853 20 0 CBADLP CN1CCN(C(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)CC[NH+](C)CC1 ZINC000888979453 584510762 /nfs/dbraw/zinc/51/07/62/584510762.db2.gz TZUVELWGWBYFFJ-UKRRQHHQSA-N 2 2 298.431 -0.853 20 0 CBADLP CN1CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC[N@H+](C)CC1 ZINC000888991078 584512305 /nfs/dbraw/zinc/51/23/05/584512305.db2.gz OMWBCRSMDMAGAP-CYBMUJFWSA-N 2 2 284.404 -0.977 20 0 CBADLP CN1CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC[N@@H+](C)CC1 ZINC000888991078 584512307 /nfs/dbraw/zinc/51/23/07/584512307.db2.gz OMWBCRSMDMAGAP-CYBMUJFWSA-N 2 2 284.404 -0.977 20 0 CBADLP CN1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC[NH+](C)CC1 ZINC000888991078 584512308 /nfs/dbraw/zinc/51/23/08/584512308.db2.gz OMWBCRSMDMAGAP-CYBMUJFWSA-N 2 2 284.404 -0.977 20 0 CBADLP CN1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC[NH+](C)CC1 ZINC000888991078 584512309 /nfs/dbraw/zinc/51/23/09/584512309.db2.gz OMWBCRSMDMAGAP-CYBMUJFWSA-N 2 2 284.404 -0.977 20 0 CBADLP CN1CCN(C(=O)CCn2cc[nH+]c2)CC[N@@H+](C)CC1 ZINC000888992226 584512356 /nfs/dbraw/zinc/51/23/56/584512356.db2.gz BELAGLFBOUDEKP-UHFFFAOYSA-N 2 2 279.388 -0.021 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000891350104 584579680 /nfs/dbraw/zinc/57/96/80/584579680.db2.gz LVMNWQVGPIYTMX-UTUOFQBUSA-N 2 2 270.377 -0.162 20 0 CBADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891527840 584584468 /nfs/dbraw/zinc/58/44/68/584584468.db2.gz MBOYVIJIJMYBCN-MCIONIFRSA-N 2 2 295.431 -0.232 20 0 CBADLP Cc1cc(N)nc(N2CC[NH+](CC(=O)N(C)C)CC2)[nH+]1 ZINC000891551351 584585350 /nfs/dbraw/zinc/58/53/50/584585350.db2.gz DOILOSMUTNJIRK-UHFFFAOYSA-N 2 2 278.360 -0.423 20 0 CBADLP CCN(C(=O)NC[C@@H]1COCC[N@@H+]1C)[C@H]1CC[NH2+]C1 ZINC000892287595 584612542 /nfs/dbraw/zinc/61/25/42/584612542.db2.gz QIBICOIDVQHKPS-NWDGAFQWSA-N 2 2 270.377 -0.290 20 0 CBADLP CCN(C(=O)NC[C@@H]1COCC[N@H+]1C)[C@H]1CC[NH2+]C1 ZINC000892287595 584612546 /nfs/dbraw/zinc/61/25/46/584612546.db2.gz QIBICOIDVQHKPS-NWDGAFQWSA-N 2 2 270.377 -0.290 20 0 CBADLP CC(=O)OC[C@H](C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000892714491 584623673 /nfs/dbraw/zinc/62/36/73/584623673.db2.gz POBZJKFXMJSCMP-JTQLQIEISA-N 2 2 257.334 -0.698 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CC[C@@H]3CO)C2)CC1 ZINC000893020646 584632543 /nfs/dbraw/zinc/63/25/43/584632543.db2.gz AYHFSWAOMMJFCM-GXTWGEPZSA-N 2 2 296.415 -0.069 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CC[C@@H]3CO)C2)CC1 ZINC000893020646 584632545 /nfs/dbraw/zinc/63/25/45/584632545.db2.gz AYHFSWAOMMJFCM-GXTWGEPZSA-N 2 2 296.415 -0.069 20 0 CBADLP Cc1cc(N)nc(N2CC[N@H+](CCO)[C@@H](C)C2)[nH+]1 ZINC000893276498 584638431 /nfs/dbraw/zinc/63/84/31/584638431.db2.gz IIWCBFWYZYBJAQ-JTQLQIEISA-N 2 2 251.334 -0.130 20 0 CBADLP Cc1cc(N)nc(N2CC[N@@H+](CCO)[C@@H](C)C2)[nH+]1 ZINC000893276498 584638434 /nfs/dbraw/zinc/63/84/34/584638434.db2.gz IIWCBFWYZYBJAQ-JTQLQIEISA-N 2 2 251.334 -0.130 20 0 CBADLP C[C@@H](NC(=O)NCc1cn(C)c[nH+]1)[C@H]1C[N@H+](C)CCO1 ZINC000893761840 584644849 /nfs/dbraw/zinc/64/48/49/584644849.db2.gz FEDQEXYPLUTXCD-ZYHUDNBSSA-N 2 2 281.360 -0.062 20 0 CBADLP C[C@@H](NC(=O)NCc1cn(C)c[nH+]1)[C@H]1C[N@@H+](C)CCO1 ZINC000893761840 584644851 /nfs/dbraw/zinc/64/48/51/584644851.db2.gz FEDQEXYPLUTXCD-ZYHUDNBSSA-N 2 2 281.360 -0.062 20 0 CBADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC[C@H]2CO)CC1 ZINC000893866739 584648036 /nfs/dbraw/zinc/64/80/36/584648036.db2.gz LRDTUCPDHBWSPV-ZDUSSCGKSA-N 2 2 284.404 -0.211 20 0 CBADLP CS(=O)(=O)N1CCC[C@@H]1C[NH2+]Cc1c[nH+]c[nH]1 ZINC000894358235 584656226 /nfs/dbraw/zinc/65/62/26/584656226.db2.gz DOFBCRKREKKECJ-SNVBAGLBSA-N 2 2 258.347 -0.077 20 0 CBADLP Cn1c[nH+]c(CNC(=O)NCC[N@@H+]2CCCOCC2)c1 ZINC000895047047 584670552 /nfs/dbraw/zinc/67/05/52/584670552.db2.gz QQELWHJVYHMZJO-UHFFFAOYSA-N 2 2 281.360 -0.058 20 0 CBADLP Cn1c[nH+]c(CNC(=O)NCC[N@H+]2CCCOCC2)c1 ZINC000895047047 584670553 /nfs/dbraw/zinc/67/05/53/584670553.db2.gz QQELWHJVYHMZJO-UHFFFAOYSA-N 2 2 281.360 -0.058 20 0 CBADLP C[NH+]1CCN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)CC1 ZINC000895426683 584679130 /nfs/dbraw/zinc/67/91/30/584679130.db2.gz DJDNURWIKVNHPT-GFCCVEGCSA-N 2 2 253.346 -0.519 20 0 CBADLP CC(C)(C)[N@@H+]1CC[C@H]1C(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC000895554637 584681576 /nfs/dbraw/zinc/68/15/76/584681576.db2.gz VQYIKHFWLLVRPZ-LBPRGKRZSA-N 2 2 296.415 -0.075 20 0 CBADLP CC(C)(C)[N@H+]1CC[C@H]1C(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC000895554637 584681577 /nfs/dbraw/zinc/68/15/77/584681577.db2.gz VQYIKHFWLLVRPZ-LBPRGKRZSA-N 2 2 296.415 -0.075 20 0 CBADLP CN(C)S(=O)(=O)C1(C[NH2+]Cc2c[nH+]c[nH]2)CC1 ZINC000895810898 584687220 /nfs/dbraw/zinc/68/72/20/584687220.db2.gz SDKJNVLUXRKVPG-UHFFFAOYSA-N 2 2 258.347 -0.077 20 0 CBADLP Cn1cc[nH+]c1CNC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000896154720 584693341 /nfs/dbraw/zinc/69/33/41/584693341.db2.gz FOZDVDSNJZOLQC-NSHDSACASA-N 2 2 264.329 -0.243 20 0 CBADLP CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)NCCn1cc[nH+]c1C ZINC000897604598 584721352 /nfs/dbraw/zinc/72/13/52/584721352.db2.gz SGYQBTIMGHHNSY-LBPRGKRZSA-N 2 2 293.371 -0.482 20 0 CBADLP CC[N@H+]1CC[C@H]1CNC(=O)C(=O)NCCn1cc[nH+]c1C ZINC000897604598 584721353 /nfs/dbraw/zinc/72/13/53/584721353.db2.gz SGYQBTIMGHHNSY-LBPRGKRZSA-N 2 2 293.371 -0.482 20 0 CBADLP Cc1nnc(CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)[nH]1 ZINC000898348408 584735427 /nfs/dbraw/zinc/73/54/27/584735427.db2.gz MZJJCZAUIMECHB-UHFFFAOYSA-N 2 2 297.407 -0.204 20 0 CBADLP Cc1nnc(CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)[nH]1 ZINC000898348408 584735428 /nfs/dbraw/zinc/73/54/28/584735428.db2.gz MZJJCZAUIMECHB-UHFFFAOYSA-N 2 2 297.407 -0.204 20 0 CBADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCCn1ccc(=O)[nH]c1=O ZINC000898332705 584735470 /nfs/dbraw/zinc/73/54/70/584735470.db2.gz OYCUGWBWVYJAQW-WDEREUQCSA-N 2 2 266.345 -0.121 20 0 CBADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCn1ccc(=O)[nH]c1=O ZINC000898332705 584735471 /nfs/dbraw/zinc/73/54/71/584735471.db2.gz OYCUGWBWVYJAQW-WDEREUQCSA-N 2 2 266.345 -0.121 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCC[NH+](CCF)C2)C1 ZINC000898495534 584736713 /nfs/dbraw/zinc/73/67/13/584736713.db2.gz SYXPMLJTKQYDAI-RYUDHWBXSA-N 2 2 273.352 -0.133 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N[C@H]2CCC[NH+](CCF)C2)C1 ZINC000898495534 584736714 /nfs/dbraw/zinc/73/67/14/584736714.db2.gz SYXPMLJTKQYDAI-RYUDHWBXSA-N 2 2 273.352 -0.133 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N[C@H]2CCC[N@H+](CCF)C2)C1 ZINC000898495534 584736715 /nfs/dbraw/zinc/73/67/15/584736715.db2.gz SYXPMLJTKQYDAI-RYUDHWBXSA-N 2 2 273.352 -0.133 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N[C@H]2CCC[N@@H+](CCF)C2)C1 ZINC000898495534 584736716 /nfs/dbraw/zinc/73/67/16/584736716.db2.gz SYXPMLJTKQYDAI-RYUDHWBXSA-N 2 2 273.352 -0.133 20 0 CBADLP C[C@@H]1[C@H](C(=O)N[C@H](CO)c2c[nH+]cn2C)CC[N@@H+]1C ZINC000898891893 584744667 /nfs/dbraw/zinc/74/46/67/584744667.db2.gz LTJDMQDBMIAGQP-GMTAPVOTSA-N 2 2 266.345 -0.090 20 0 CBADLP C[C@@H]1[C@H](C(=O)N[C@H](CO)c2c[nH+]cn2C)CC[N@H+]1C ZINC000898891893 584744668 /nfs/dbraw/zinc/74/46/68/584744668.db2.gz LTJDMQDBMIAGQP-GMTAPVOTSA-N 2 2 266.345 -0.090 20 0 CBADLP C[N@@H+]1CC[C@H](C(=O)NCC[NH+]2CCC3(C2)OCCO3)C1 ZINC000899058866 584749053 /nfs/dbraw/zinc/74/90/53/584749053.db2.gz XXPASOZSRUTTIZ-LBPRGKRZSA-N 2 2 283.372 -0.497 20 0 CBADLP C[N@H+]1CC[C@H](C(=O)NCC[NH+]2CCC3(C2)OCCO3)C1 ZINC000899058866 584749055 /nfs/dbraw/zinc/74/90/55/584749055.db2.gz XXPASOZSRUTTIZ-LBPRGKRZSA-N 2 2 283.372 -0.497 20 0 CBADLP C[NH+]1CC[C@H](C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)C1 ZINC000899058866 584749057 /nfs/dbraw/zinc/74/90/57/584749057.db2.gz XXPASOZSRUTTIZ-LBPRGKRZSA-N 2 2 283.372 -0.497 20 0 CBADLP C[NH+]1CC[C@H](C(=O)NCC[N@H+]2CCC3(C2)OCCO3)C1 ZINC000899058866 584749058 /nfs/dbraw/zinc/74/90/58/584749058.db2.gz XXPASOZSRUTTIZ-LBPRGKRZSA-N 2 2 283.372 -0.497 20 0 CBADLP C[N@@H+]1CC[C@@H](C(=O)NCC[NH+]2CCC3(C2)OCCO3)C1 ZINC000899058864 584749174 /nfs/dbraw/zinc/74/91/74/584749174.db2.gz XXPASOZSRUTTIZ-GFCCVEGCSA-N 2 2 283.372 -0.497 20 0 CBADLP C[N@H+]1CC[C@@H](C(=O)NCC[NH+]2CCC3(C2)OCCO3)C1 ZINC000899058864 584749175 /nfs/dbraw/zinc/74/91/75/584749175.db2.gz XXPASOZSRUTTIZ-GFCCVEGCSA-N 2 2 283.372 -0.497 20 0 CBADLP C[NH+]1CC[C@@H](C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)C1 ZINC000899058864 584749177 /nfs/dbraw/zinc/74/91/77/584749177.db2.gz XXPASOZSRUTTIZ-GFCCVEGCSA-N 2 2 283.372 -0.497 20 0 CBADLP C[NH+]1CC[C@@H](C(=O)NCC[N@H+]2CCC3(C2)OCCO3)C1 ZINC000899058864 584749179 /nfs/dbraw/zinc/74/91/79/584749179.db2.gz XXPASOZSRUTTIZ-GFCCVEGCSA-N 2 2 283.372 -0.497 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCNCC[NH2+]CC1 ZINC000899241533 584754199 /nfs/dbraw/zinc/75/41/99/584754199.db2.gz JWPJOWLHFSPLNT-GFCCVEGCSA-N 2 2 280.376 -0.524 20 0 CBADLP O=C(NCc1ccco1)N1CC[NH2+]CC[NH2+]CC1 ZINC000899242102 584754240 /nfs/dbraw/zinc/75/42/40/584754240.db2.gz UQRMNQBTRMRRHM-UHFFFAOYSA-N 2 2 252.318 -0.016 20 0 CBADLP Cc1n[nH]cc1CCCNC(=O)N1CC[NH2+]CC[NH2+]CC1 ZINC000899241274 584754268 /nfs/dbraw/zinc/75/42/68/584754268.db2.gz BRSAEFGZNMSISY-UHFFFAOYSA-N 2 2 294.403 -0.145 20 0 CBADLP CC1(C)C[NH2+]C[C@@H]1NC(=O)NCC[NH+]1CCOCC1 ZINC000899248412 584754598 /nfs/dbraw/zinc/75/45/98/584754598.db2.gz PDKQMPZOUXRRNU-NSHDSACASA-N 2 2 270.377 -0.384 20 0 CBADLP [NH3+]C[C@]12CC[C@H]1CCN2C(=O)NCC[NH+]1CCOCC1 ZINC000899247812 584754745 /nfs/dbraw/zinc/75/47/45/584754745.db2.gz KSAPFUUJKCPOFE-GXTWGEPZSA-N 2 2 282.388 -0.159 20 0 CBADLP C[N@H+](CCO)CCNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000899739191 584779168 /nfs/dbraw/zinc/77/91/68/584779168.db2.gz SGJHYARNIFSRDX-JTQLQIEISA-N 2 2 266.345 -0.445 20 0 CBADLP C[N@@H+](CCO)CCNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000899739191 584779169 /nfs/dbraw/zinc/77/91/69/584779169.db2.gz SGJHYARNIFSRDX-JTQLQIEISA-N 2 2 266.345 -0.445 20 0 CBADLP C[N@H+](CCO)CCNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000899739191 584779170 /nfs/dbraw/zinc/77/91/70/584779170.db2.gz SGJHYARNIFSRDX-JTQLQIEISA-N 2 2 266.345 -0.445 20 0 CBADLP C[N@@H+](CCO)CCNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000899739191 584779171 /nfs/dbraw/zinc/77/91/71/584779171.db2.gz SGJHYARNIFSRDX-JTQLQIEISA-N 2 2 266.345 -0.445 20 0 CBADLP O[C@H](C[NH2+]CCC[NH+]1CCOCC1)C1(O)CCOCC1 ZINC000899855881 584781546 /nfs/dbraw/zinc/78/15/46/584781546.db2.gz MGEVXUZCCMSYRS-CYBMUJFWSA-N 2 2 288.388 -0.799 20 0 CBADLP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCCCN1CC[NH+](C)CC1 ZINC000899991182 584788018 /nfs/dbraw/zinc/78/80/18/584788018.db2.gz CBVSRGVOHNYHAG-DZGCQCFKSA-N 2 2 298.431 -0.805 20 0 CBADLP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCCCN1CC[NH+](C)CC1 ZINC000899991182 584788019 /nfs/dbraw/zinc/78/80/19/584788019.db2.gz CBVSRGVOHNYHAG-DZGCQCFKSA-N 2 2 298.431 -0.805 20 0 CBADLP CN1CC[NH+](CCCNC(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)CC1 ZINC000899991182 584788020 /nfs/dbraw/zinc/78/80/20/584788020.db2.gz CBVSRGVOHNYHAG-DZGCQCFKSA-N 2 2 298.431 -0.805 20 0 CBADLP CN1CC[NH+](CCCNC(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)CC1 ZINC000899991182 584788021 /nfs/dbraw/zinc/78/80/21/584788021.db2.gz CBVSRGVOHNYHAG-DZGCQCFKSA-N 2 2 298.431 -0.805 20 0 CBADLP O=C(CNc1cccc[nH+]1)N1CC[NH+](CCO)CC1 ZINC000900147462 584792642 /nfs/dbraw/zinc/79/26/42/584792642.db2.gz NOMLXAQCJBEGON-UHFFFAOYSA-N 2 2 264.329 -0.370 20 0 CBADLP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NCCn1cc[nH+]c1 ZINC000900193311 584794945 /nfs/dbraw/zinc/79/49/45/584794945.db2.gz GSWKGMAJYDDAMB-ZYHUDNBSSA-N 2 2 252.318 -0.546 20 0 CBADLP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NCCn1cc[nH+]c1 ZINC000900193311 584794947 /nfs/dbraw/zinc/79/49/47/584794947.db2.gz GSWKGMAJYDDAMB-ZYHUDNBSSA-N 2 2 252.318 -0.546 20 0 CBADLP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCCn1cc[nH+]c1 ZINC000900193308 584794974 /nfs/dbraw/zinc/79/49/74/584794974.db2.gz GSWKGMAJYDDAMB-CMPLNLGQSA-N 2 2 252.318 -0.546 20 0 CBADLP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCCn1cc[nH+]c1 ZINC000900193308 584794975 /nfs/dbraw/zinc/79/49/75/584794975.db2.gz GSWKGMAJYDDAMB-CMPLNLGQSA-N 2 2 252.318 -0.546 20 0 CBADLP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000900404439 584803329 /nfs/dbraw/zinc/80/33/29/584803329.db2.gz GOUTXLTYDPCHOP-GXTWGEPZSA-N 2 2 267.373 -0.252 20 0 CBADLP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000900404439 584803330 /nfs/dbraw/zinc/80/33/30/584803330.db2.gz GOUTXLTYDPCHOP-GXTWGEPZSA-N 2 2 267.373 -0.252 20 0 CBADLP Cc1[nH+]ccn1CCNC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC000900448754 584804952 /nfs/dbraw/zinc/80/49/52/584804952.db2.gz NGUPJWBYNDYWJW-YPMHNXCESA-N 2 2 266.345 -0.237 20 0 CBADLP Cc1[nH+]ccn1CCNC(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000900448754 584804953 /nfs/dbraw/zinc/80/49/53/584804953.db2.gz NGUPJWBYNDYWJW-YPMHNXCESA-N 2 2 266.345 -0.237 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)C23CC[NH+](CC2)C3)CCO1 ZINC000900486135 584807300 /nfs/dbraw/zinc/80/73/00/584807300.db2.gz SMJXFZKPADGWKR-GFCCVEGCSA-N 2 2 267.373 -0.081 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)C23CC[NH+](CC2)C3)CCO1 ZINC000900486135 584807302 /nfs/dbraw/zinc/80/73/02/584807302.db2.gz SMJXFZKPADGWKR-GFCCVEGCSA-N 2 2 267.373 -0.081 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)C[C@@]2(O)CCC[NH+](C)C2)CCO1 ZINC000900486162 584807379 /nfs/dbraw/zinc/80/73/79/584807379.db2.gz SSSYYTGQKIAQLF-ZFWWWQNUSA-N 2 2 299.415 -0.330 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)C[C@@]2(O)CCC[NH+](C)C2)CCO1 ZINC000900486162 584807380 /nfs/dbraw/zinc/80/73/80/584807380.db2.gz SSSYYTGQKIAQLF-ZFWWWQNUSA-N 2 2 299.415 -0.330 20 0 CBADLP C[C@H]1C[NH+](CCNC(=O)C[C@@]2(O)CCC[N@H+](C)C2)CCO1 ZINC000900486162 584807382 /nfs/dbraw/zinc/80/73/82/584807382.db2.gz SSSYYTGQKIAQLF-ZFWWWQNUSA-N 2 2 299.415 -0.330 20 0 CBADLP C[C@H]1C[NH+](CCNC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)CCO1 ZINC000900486162 584807383 /nfs/dbraw/zinc/80/73/83/584807383.db2.gz SSSYYTGQKIAQLF-ZFWWWQNUSA-N 2 2 299.415 -0.330 20 0 CBADLP CN(Cc1[nH]cc[nH+]1)C(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000900626358 584817371 /nfs/dbraw/zinc/81/73/71/584817371.db2.gz QESDEXLWCKUNMK-BXKDBHETSA-N 2 2 252.318 -0.177 20 0 CBADLP CN(Cc1[nH]cc[nH+]1)C(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC000900626358 584817373 /nfs/dbraw/zinc/81/73/73/584817373.db2.gz QESDEXLWCKUNMK-BXKDBHETSA-N 2 2 252.318 -0.177 20 0 CBADLP CCOCC[NH+]1CCN(C(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)CC1 ZINC000900653113 584819102 /nfs/dbraw/zinc/81/91/02/584819102.db2.gz WOXYNFDRYHEUTM-UKRRQHHQSA-N 2 2 299.415 -0.378 20 0 CBADLP CCOCC[NH+]1CCN(C(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)CC1 ZINC000900653113 584819103 /nfs/dbraw/zinc/81/91/03/584819103.db2.gz WOXYNFDRYHEUTM-UKRRQHHQSA-N 2 2 299.415 -0.378 20 0 CBADLP C[S@@](=O)CC[NH+]1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000900807913 584828031 /nfs/dbraw/zinc/82/80/31/584828031.db2.gz DXZQRCAWNNXHEC-HXUWFJFHSA-N 2 2 299.440 -0.395 20 0 CBADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000900891482 584831791 /nfs/dbraw/zinc/83/17/91/584831791.db2.gz FORFXUZGAHCLEN-UHFFFAOYSA-N 2 2 294.399 -0.510 20 0 CBADLP CC[C@H](CO)[NH+]1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000901147854 584852473 /nfs/dbraw/zinc/85/24/73/584852473.db2.gz UXUHXZLNHAAIAR-GFCCVEGCSA-N 2 2 266.345 -0.133 20 0 CBADLP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000901148580 584852489 /nfs/dbraw/zinc/85/24/89/584852489.db2.gz SQGIDWLCFOBQHU-IMSIIYSGSA-N 2 2 278.356 -0.162 20 0 CBADLP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000901148580 584852492 /nfs/dbraw/zinc/85/24/92/584852492.db2.gz SQGIDWLCFOBQHU-IMSIIYSGSA-N 2 2 278.356 -0.162 20 0 CBADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCCc1nnnn1C ZINC000902463059 584877313 /nfs/dbraw/zinc/87/73/13/584877313.db2.gz ZDKUPTRQLHFMCC-WDEREUQCSA-N 2 2 268.365 -0.501 20 0 CBADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCCn1ccc(=O)[nH]c1=O ZINC000902522430 584877752 /nfs/dbraw/zinc/87/77/52/584877752.db2.gz WWGLKOOESBXUMQ-NWDGAFQWSA-N 2 2 296.371 -0.304 20 0 CBADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1cn(C)nn1 ZINC000903064645 584888960 /nfs/dbraw/zinc/88/89/60/584888960.db2.gz PTBUOMDVXTZCCR-PWSUYJOCSA-N 2 2 280.376 -0.195 20 0 CBADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1cn(C)nn1 ZINC000903064645 584888961 /nfs/dbraw/zinc/88/89/61/584888961.db2.gz PTBUOMDVXTZCCR-PWSUYJOCSA-N 2 2 280.376 -0.195 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CCO[C@]23CCOC3)CC1 ZINC000903083904 584889082 /nfs/dbraw/zinc/88/90/82/584889082.db2.gz QDGFZIUQJKXIBR-JSGCOSHPSA-N 2 2 283.372 -0.702 20 0 CBADLP C[C@@H]1C[NH2+]C[C@H]1CN1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000903445423 584890454 /nfs/dbraw/zinc/89/04/54/584890454.db2.gz ZZORQTNUGYAAEN-NEPJUHHUSA-N 2 2 268.405 -0.277 20 0 CBADLP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCN(C(C)(C)C(N)=O)CC1 ZINC000903445423 584890455 /nfs/dbraw/zinc/89/04/55/584890455.db2.gz ZZORQTNUGYAAEN-NEPJUHHUSA-N 2 2 268.405 -0.277 20 0 CBADLP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903464759 584890853 /nfs/dbraw/zinc/89/08/53/584890853.db2.gz BCCFUGPXMHIZNA-BDAKNGLRSA-N 2 2 254.334 -0.295 20 0 CBADLP O=C(N1CC[NH2+]CC1)N1CC[NH+](CCOC2CC2)CC1 ZINC000903464520 584890856 /nfs/dbraw/zinc/89/08/56/584890856.db2.gz QIOLEUFUFJJMBP-UHFFFAOYSA-N 2 2 282.388 -0.192 20 0 CBADLP COC(=O)CCNC(=O)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903472169 584890981 /nfs/dbraw/zinc/89/09/81/584890981.db2.gz XGKMMQQPQVVQQQ-SNVBAGLBSA-N 2 2 269.345 -0.460 20 0 CBADLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@H]2OCCNC(=O)[C@@H]21 ZINC000903476252 584891165 /nfs/dbraw/zinc/89/11/65/584891165.db2.gz RWLOOXWLUHWYJZ-YVECIDJPSA-N 2 2 267.373 -0.179 20 0 CBADLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@H]2OCCNC(=O)[C@@H]21 ZINC000903476252 584891166 /nfs/dbraw/zinc/89/11/66/584891166.db2.gz RWLOOXWLUHWYJZ-YVECIDJPSA-N 2 2 267.373 -0.179 20 0 CBADLP CC(C)CN(C)S(=O)(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000903566609 584893447 /nfs/dbraw/zinc/89/34/47/584893447.db2.gz WLDVRSMGLKNIAU-UHFFFAOYSA-N 2 2 292.449 -0.168 20 0 CBADLP CNS(=O)(=O)CCC[N@H+](CC[NH2+]C)C(C)C ZINC000903572386 584893513 /nfs/dbraw/zinc/89/35/13/584893513.db2.gz NDEFYWIUCTVERX-UHFFFAOYSA-N 2 2 251.396 -0.145 20 0 CBADLP CNS(=O)(=O)CCC[N@@H+](CC[NH2+]C)C(C)C ZINC000903572386 584893514 /nfs/dbraw/zinc/89/35/14/584893514.db2.gz NDEFYWIUCTVERX-UHFFFAOYSA-N 2 2 251.396 -0.145 20 0 CBADLP CS(=O)(=O)C[C@H]1C[N@H+](CC2CC[NH2+]CC2)CCO1 ZINC000903707119 584895295 /nfs/dbraw/zinc/89/52/95/584895295.db2.gz LTSCLPIGWYJMED-GFCCVEGCSA-N 2 2 276.402 -0.269 20 0 CBADLP CS(=O)(=O)C[C@H]1C[N@@H+](CC2CC[NH2+]CC2)CCO1 ZINC000903707119 584895297 /nfs/dbraw/zinc/89/52/97/584895297.db2.gz LTSCLPIGWYJMED-GFCCVEGCSA-N 2 2 276.402 -0.269 20 0 CBADLP C[C@H]([NH3+])[C@@H]1C[N@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CCO1 ZINC000903717126 584895577 /nfs/dbraw/zinc/89/55/77/584895577.db2.gz HEILCSHVASTHON-RFQIPJPRSA-N 3 2 269.389 -0.197 20 0 CBADLP C[C@H]([NH3+])[C@@H]1C[N@@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CCO1 ZINC000903717126 584895580 /nfs/dbraw/zinc/89/55/80/584895580.db2.gz HEILCSHVASTHON-RFQIPJPRSA-N 3 2 269.389 -0.197 20 0 CBADLP C[N@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[C@@H]1CCS(=O)(=O)C1 ZINC000903716628 584895678 /nfs/dbraw/zinc/89/56/78/584895678.db2.gz AIWJUXZPMNIHDQ-FRRDWIJNSA-N 2 2 288.413 -0.126 20 0 CBADLP C[N@@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[C@@H]1CCS(=O)(=O)C1 ZINC000903716628 584895679 /nfs/dbraw/zinc/89/56/79/584895679.db2.gz AIWJUXZPMNIHDQ-FRRDWIJNSA-N 2 2 288.413 -0.126 20 0 CBADLP C[C@@H]1C(=O)NCC[N@H+]1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903725781 584895890 /nfs/dbraw/zinc/89/58/90/584895890.db2.gz HJGGIHSMZFJRHF-MDZLAQPJSA-N 2 2 253.346 -0.425 20 0 CBADLP C[C@@H]1C(=O)NCC[N@@H+]1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903725781 584895891 /nfs/dbraw/zinc/89/58/91/584895891.db2.gz HJGGIHSMZFJRHF-MDZLAQPJSA-N 2 2 253.346 -0.425 20 0 CBADLP COCCN1CC[N@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1=O ZINC000903757333 584897676 /nfs/dbraw/zinc/89/76/76/584897676.db2.gz CHIXVZVOJNFKTA-ZFWWWQNUSA-N 2 2 297.399 -0.454 20 0 CBADLP COCCN1CC[N@@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1=O ZINC000903757333 584897678 /nfs/dbraw/zinc/89/76/78/584897678.db2.gz CHIXVZVOJNFKTA-ZFWWWQNUSA-N 2 2 297.399 -0.454 20 0 CBADLP Cc1cc(C)[nH+]c(CN(CC[NH3+])C[C@@H](O)CO)c1 ZINC000903768971 584898037 /nfs/dbraw/zinc/89/80/37/584898037.db2.gz WJQAZULXLCRLQX-CYBMUJFWSA-N 2 2 253.346 -0.188 20 0 CBADLP NC(=O)C[C@H]1C[N@H+](C[C@H]2CCCC[NH2+]C2)CCO1 ZINC000903775454 584899209 /nfs/dbraw/zinc/89/92/09/584899209.db2.gz LBPJPNBCUUOJDJ-RYUDHWBXSA-N 2 2 255.362 -0.048 20 0 CBADLP NC(=O)C[C@H]1C[N@@H+](C[C@H]2CCCC[NH2+]C2)CCO1 ZINC000903775454 584899210 /nfs/dbraw/zinc/89/92/10/584899210.db2.gz LBPJPNBCUUOJDJ-RYUDHWBXSA-N 2 2 255.362 -0.048 20 0 CBADLP C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000903780059 584899346 /nfs/dbraw/zinc/89/93/46/584899346.db2.gz RRTWTWULCLJLQA-LBPRGKRZSA-N 2 2 282.388 -0.639 20 0 CBADLP C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000903786771 584899757 /nfs/dbraw/zinc/89/97/57/584899757.db2.gz BPYCQBXQZQBLSL-NSHDSACASA-N 2 2 293.371 -0.031 20 0 CBADLP C[N@H+](CCC(=O)N1CC[NH2+]CC1)C1(C[NH3+])CCOCC1 ZINC000903808376 584900276 /nfs/dbraw/zinc/90/02/76/584900276.db2.gz HZAISWGQDYMGMH-UHFFFAOYSA-N 3 2 284.404 -0.752 20 0 CBADLP C[N@@H+](CCC(=O)N1CC[NH2+]CC1)C1(C[NH3+])CCOCC1 ZINC000903808376 584900277 /nfs/dbraw/zinc/90/02/77/584900277.db2.gz HZAISWGQDYMGMH-UHFFFAOYSA-N 3 2 284.404 -0.752 20 0 CBADLP Cn1nnnc1CC[N@@H+]1CCC[C@H]2CC[C@]21C[NH3+] ZINC000903802317 584900331 /nfs/dbraw/zinc/90/03/31/584900331.db2.gz RTULZLJEUXHNBN-JQWIXIFHSA-N 2 2 250.350 -0.044 20 0 CBADLP Cn1nnnc1CC[N@H+]1CCC[C@H]2CC[C@]21C[NH3+] ZINC000903802317 584900332 /nfs/dbraw/zinc/90/03/32/584900332.db2.gz RTULZLJEUXHNBN-JQWIXIFHSA-N 2 2 250.350 -0.044 20 0 CBADLP CCOCCNC(=O)C[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903818144 584900886 /nfs/dbraw/zinc/90/08/86/584900886.db2.gz YANDKKWWVNXTHM-UHFFFAOYSA-N 2 2 299.415 -0.016 20 0 CBADLP CCOCCNC(=O)C[N@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903818144 584900888 /nfs/dbraw/zinc/90/08/88/584900888.db2.gz YANDKKWWVNXTHM-UHFFFAOYSA-N 2 2 299.415 -0.016 20 0 CBADLP O=C1CC[N@H+](C[C@H]2C[NH2+]CCO2)CCCCCN1 ZINC000903829086 584901216 /nfs/dbraw/zinc/90/12/16/584901216.db2.gz AACDLCXEPJSOGW-GFCCVEGCSA-N 2 2 255.362 -0.033 20 0 CBADLP O=C1CC[N@@H+](C[C@H]2C[NH2+]CCO2)CCCCCN1 ZINC000903829086 584901218 /nfs/dbraw/zinc/90/12/18/584901218.db2.gz AACDLCXEPJSOGW-GFCCVEGCSA-N 2 2 255.362 -0.033 20 0 CBADLP COCC[C@H]1C[NH2+]CCN1CC[NH+]1CCOCC1 ZINC000903836974 584901569 /nfs/dbraw/zinc/90/15/69/584901569.db2.gz YPOLWLXORPOVHR-ZDUSSCGKSA-N 2 2 257.378 -0.371 20 0 CBADLP [NH3+]C[C@@]12CC[C@H]1CC[N@@H+]2CCN1C(=O)CCC1=O ZINC000903852330 584902011 /nfs/dbraw/zinc/90/20/11/584902011.db2.gz ABDVFQXHDQEWEF-GWCFXTLKSA-N 2 2 251.330 -0.051 20 0 CBADLP [NH3+]C[C@@]12CC[C@H]1CC[N@H+]2CCN1C(=O)CCC1=O ZINC000903852330 584902012 /nfs/dbraw/zinc/90/20/12/584902012.db2.gz ABDVFQXHDQEWEF-GWCFXTLKSA-N 2 2 251.330 -0.051 20 0 CBADLP CNS(=O)(=O)CCC[N@@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903855593 584902029 /nfs/dbraw/zinc/90/20/29/584902029.db2.gz NPUBPGCAZTUZDG-QWRGUYRKSA-N 2 2 261.391 -0.261 20 0 CBADLP CNS(=O)(=O)CCC[N@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903855593 584902030 /nfs/dbraw/zinc/90/20/30/584902030.db2.gz NPUBPGCAZTUZDG-QWRGUYRKSA-N 2 2 261.391 -0.261 20 0 CBADLP [NH3+]C[C@]12CC[C@H]1CC[N@@H+]2CCC(=O)N1CC[NH2+]CC1 ZINC000903853058 584902090 /nfs/dbraw/zinc/90/20/90/584902090.db2.gz CYADEHDMDYWGMV-GXTWGEPZSA-N 3 2 266.389 -0.379 20 0 CBADLP [NH3+]C[C@]12CC[C@H]1CC[N@H+]2CCC(=O)N1CC[NH2+]CC1 ZINC000903853058 584902091 /nfs/dbraw/zinc/90/20/91/584902091.db2.gz CYADEHDMDYWGMV-GXTWGEPZSA-N 3 2 266.389 -0.379 20 0 CBADLP CNC(=O)NC(=O)CC[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903867150 584902862 /nfs/dbraw/zinc/90/28/62/584902862.db2.gz ZLHVBETUIYZHNH-LBPRGKRZSA-N 2 2 254.334 -0.340 20 0 CBADLP CNC(=O)NC(=O)CC[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903867150 584902863 /nfs/dbraw/zinc/90/28/63/584902863.db2.gz ZLHVBETUIYZHNH-LBPRGKRZSA-N 2 2 254.334 -0.340 20 0 CBADLP C[N@H+](CCN1CC[NH2+]CC1)C[C@@H]([NH3+])CC(F)F ZINC000903873892 584902907 /nfs/dbraw/zinc/90/29/07/584902907.db2.gz NNSMPVSMUBUKIC-JTQLQIEISA-N 3 2 250.337 -0.194 20 0 CBADLP C[N@@H+](CCN1CC[NH2+]CC1)C[C@@H]([NH3+])CC(F)F ZINC000903873892 584902908 /nfs/dbraw/zinc/90/29/08/584902908.db2.gz NNSMPVSMUBUKIC-JTQLQIEISA-N 3 2 250.337 -0.194 20 0 CBADLP Cc1c(C[C@H](C[NH3+])C[N@@H+](C)CC(=O)N(C)C)cnn1C ZINC000903877096 584903331 /nfs/dbraw/zinc/90/33/31/584903331.db2.gz LJOGFNNYXRHYNK-GFCCVEGCSA-N 2 2 281.404 -0.134 20 0 CBADLP Cc1c(C[C@H](C[NH3+])C[N@H+](C)CC(=O)N(C)C)cnn1C ZINC000903877096 584903332 /nfs/dbraw/zinc/90/33/32/584903332.db2.gz LJOGFNNYXRHYNK-GFCCVEGCSA-N 2 2 281.404 -0.134 20 0 CBADLP CNC(=O)[C@H]1CCC[N@@H+]1Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903886036 584904036 /nfs/dbraw/zinc/90/40/36/584904036.db2.gz QTLBTUIJRRNUSS-DGCLKSJQSA-N 2 2 292.387 -0.087 20 0 CBADLP CNC(=O)[C@H]1CCC[N@H+]1Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903886036 584904037 /nfs/dbraw/zinc/90/40/37/584904037.db2.gz QTLBTUIJRRNUSS-DGCLKSJQSA-N 2 2 292.387 -0.087 20 0 CBADLP Cc1c(C[C@H](C[NH3+])C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cnn1C ZINC000903906846 584904482 /nfs/dbraw/zinc/90/44/82/584904482.db2.gz ZMPOPIQZCBAMPD-YUELXQCFSA-N 3 2 277.416 -0.003 20 0 CBADLP Cc1c(C[C@H](C[NH3+])C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cnn1C ZINC000903906846 584904483 /nfs/dbraw/zinc/90/44/83/584904483.db2.gz ZMPOPIQZCBAMPD-YUELXQCFSA-N 3 2 277.416 -0.003 20 0 CBADLP C[N@@H+]1CCN(Cc2cnnn2[C@@H]2CCC[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000903918226 584904508 /nfs/dbraw/zinc/90/45/08/584904508.db2.gz VLALRROOHOMQON-OLZOCXBDSA-N 3 2 293.419 -0.723 20 0 CBADLP C[N@H+]1CCN(Cc2cnnn2[C@@H]2CCC[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000903918226 584904510 /nfs/dbraw/zinc/90/45/10/584904510.db2.gz VLALRROOHOMQON-OLZOCXBDSA-N 3 2 293.419 -0.723 20 0 CBADLP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCO[C@H]([C@@H](C)O)C2)cnn1C ZINC000903930125 584904777 /nfs/dbraw/zinc/90/47/77/584904777.db2.gz SRGNKKYIKFKLRS-NFAWXSAZSA-N 2 2 296.415 -0.072 20 0 CBADLP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCO[C@H]([C@@H](C)O)C2)cnn1C ZINC000903930125 584904779 /nfs/dbraw/zinc/90/47/79/584904779.db2.gz SRGNKKYIKFKLRS-NFAWXSAZSA-N 2 2 296.415 -0.072 20 0 CBADLP CC(C)(C(=O)N1CC[NH+](CCO)CC1)[NH+]1CCCC1 ZINC000949628417 614291625 /nfs/dbraw/zinc/29/16/25/614291625.db2.gz VNPIVQLPJHKFJX-UHFFFAOYSA-N 2 2 269.389 -0.003 20 0 CBADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](CC(N)=O)C1 ZINC000969659153 614345585 /nfs/dbraw/zinc/34/55/85/614345585.db2.gz DCRPHGQPZHWBBI-DGCLKSJQSA-N 2 2 296.415 -0.219 20 0 CBADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](CC(N)=O)C1 ZINC000969659153 614345586 /nfs/dbraw/zinc/34/55/86/614345586.db2.gz DCRPHGQPZHWBBI-DGCLKSJQSA-N 2 2 296.415 -0.219 20 0 CBADLP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)C1C[NH+](C[C@@H](C)O)C1 ZINC000949796776 614619835 /nfs/dbraw/zinc/61/98/35/614619835.db2.gz RDSLGGMDYPZGFK-YPMHNXCESA-N 2 2 269.389 -0.006 20 0 CBADLP CCN(C(=O)[C@@H]1CCC[N@H+]1C)C1C[NH+](C[C@@H](C)O)C1 ZINC000949796776 614619836 /nfs/dbraw/zinc/61/98/36/614619836.db2.gz RDSLGGMDYPZGFK-YPMHNXCESA-N 2 2 269.389 -0.006 20 0 CBADLP CC1(C)C[N@H+](CCO)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000977641460 614665551 /nfs/dbraw/zinc/66/55/51/614665551.db2.gz DTMSJVCDUSLBOR-LLVKDONJSA-N 2 2 266.345 -0.298 20 0 CBADLP CC1(C)C[N@@H+](CCO)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000977641460 614665554 /nfs/dbraw/zinc/66/55/54/614665554.db2.gz DTMSJVCDUSLBOR-LLVKDONJSA-N 2 2 266.345 -0.298 20 0 CBADLP CCN(C(=O)[C@H]1CCC[N@@H+]1C)C1C[NH+](C[C@@H](C)O)C1 ZINC000949796774 614671142 /nfs/dbraw/zinc/67/11/42/614671142.db2.gz RDSLGGMDYPZGFK-DGCLKSJQSA-N 2 2 269.389 -0.006 20 0 CBADLP CCN(C(=O)[C@H]1CCC[N@H+]1C)C1C[NH+](C[C@@H](C)O)C1 ZINC000949796774 614671144 /nfs/dbraw/zinc/67/11/44/614671144.db2.gz RDSLGGMDYPZGFK-DGCLKSJQSA-N 2 2 269.389 -0.006 20 0 CBADLP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CC(N)=O)C1 ZINC000970928050 615115078 /nfs/dbraw/zinc/11/50/78/615115078.db2.gz IGEIOVLKQALUBL-YPMHNXCESA-N 2 2 296.415 -0.217 20 0 CBADLP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CC(N)=O)C1 ZINC000970928050 615115080 /nfs/dbraw/zinc/11/50/80/615115080.db2.gz IGEIOVLKQALUBL-YPMHNXCESA-N 2 2 296.415 -0.217 20 0 CBADLP CC[C@@H](C(=O)N1CCC[N@@H+]([C@H]2CCNC2=O)CC1)[NH+](C)C ZINC000981977095 615369734 /nfs/dbraw/zinc/36/97/34/615369734.db2.gz WAIWGPSYKROMAR-STQMWFEESA-N 2 2 296.415 -0.251 20 0 CBADLP CC[C@@H](C(=O)N1CCC[N@H+]([C@H]2CCNC2=O)CC1)[NH+](C)C ZINC000981977095 615369738 /nfs/dbraw/zinc/36/97/38/615369738.db2.gz WAIWGPSYKROMAR-STQMWFEESA-N 2 2 296.415 -0.251 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000980839566 615399748 /nfs/dbraw/zinc/39/97/48/615399748.db2.gz JMYLOCOHCBGGJP-QWHCGFSZSA-N 2 2 296.415 -0.121 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000980839566 615399751 /nfs/dbraw/zinc/39/97/51/615399751.db2.gz JMYLOCOHCBGGJP-QWHCGFSZSA-N 2 2 296.415 -0.121 20 0 CBADLP CC[C@@H](C(N)=O)[NH+]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000980839566 615399752 /nfs/dbraw/zinc/39/97/52/615399752.db2.gz JMYLOCOHCBGGJP-QWHCGFSZSA-N 2 2 296.415 -0.121 20 0 CBADLP CC[C@@H](C(N)=O)[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000980839566 615399756 /nfs/dbraw/zinc/39/97/56/615399756.db2.gz JMYLOCOHCBGGJP-QWHCGFSZSA-N 2 2 296.415 -0.121 20 0 CBADLP CC[C@H](C(=O)N1CCC[N@@H+]([C@H]2CCNC2=O)CC1)[NH+](C)C ZINC000981438485 615600796 /nfs/dbraw/zinc/60/07/96/615600796.db2.gz WAIWGPSYKROMAR-OLZOCXBDSA-N 2 2 296.415 -0.251 20 0 CBADLP CC[C@H](C(=O)N1CCC[N@H+]([C@H]2CCNC2=O)CC1)[NH+](C)C ZINC000981438485 615600797 /nfs/dbraw/zinc/60/07/97/615600797.db2.gz WAIWGPSYKROMAR-OLZOCXBDSA-N 2 2 296.415 -0.251 20 0 CBADLP CC[C@H](C(=O)N1CCC[N@@H+]([C@@H](C)C(=O)NC)CC1)[NH+](C)C ZINC000981439388 615600988 /nfs/dbraw/zinc/60/09/88/615600988.db2.gz DMRFTLICJCFKKK-QWHCGFSZSA-N 2 2 298.431 -0.005 20 0 CBADLP CC[C@H](C(=O)N1CCC[N@H+]([C@@H](C)C(=O)NC)CC1)[NH+](C)C ZINC000981439388 615600989 /nfs/dbraw/zinc/60/09/89/615600989.db2.gz DMRFTLICJCFKKK-QWHCGFSZSA-N 2 2 298.431 -0.005 20 0 CBADLP CC[C@H]([NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1)C(N)=O ZINC000970104849 615822236 /nfs/dbraw/zinc/82/22/36/615822236.db2.gz HANLUOINHVMPPC-KOLCDFICSA-N 2 2 279.344 -0.593 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)N1CC[C@@H]([N@H+](C)CCO)C1 ZINC000971987661 616109715 /nfs/dbraw/zinc/10/97/15/616109715.db2.gz BWRSQJYKLCCQMN-GFCCVEGCSA-N 2 2 280.372 -0.122 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)N1CC[C@@H]([N@@H+](C)CCO)C1 ZINC000971987661 616109716 /nfs/dbraw/zinc/10/97/16/616109716.db2.gz BWRSQJYKLCCQMN-GFCCVEGCSA-N 2 2 280.372 -0.122 20 0 CBADLP C[N@H+](CCO)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000972619132 616110307 /nfs/dbraw/zinc/11/03/07/616110307.db2.gz NTTNHQFOSMAWJU-SNVBAGLBSA-N 2 2 252.318 -0.523 20 0 CBADLP C[N@@H+](CCO)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000972619132 616110308 /nfs/dbraw/zinc/11/03/08/616110308.db2.gz NTTNHQFOSMAWJU-SNVBAGLBSA-N 2 2 252.318 -0.523 20 0 CBADLP C[N@H+](CCO)[C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000971818474 616110477 /nfs/dbraw/zinc/11/04/77/616110477.db2.gz ORHBSQOXNPOYMG-TZMCWYRMSA-N 2 2 292.383 -0.030 20 0 CBADLP C[N@@H+](CCO)[C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000971818474 616110479 /nfs/dbraw/zinc/11/04/79/616110479.db2.gz ORHBSQOXNPOYMG-TZMCWYRMSA-N 2 2 292.383 -0.030 20 0 CBADLP C[N@H+](CCO)[C@@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000971816545 616110544 /nfs/dbraw/zinc/11/05/44/616110544.db2.gz BMASLHQNTZRHEB-CHWSQXEVSA-N 2 2 292.383 -0.030 20 0 CBADLP C[N@@H+](CCO)[C@@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000971816545 616110545 /nfs/dbraw/zinc/11/05/45/616110545.db2.gz BMASLHQNTZRHEB-CHWSQXEVSA-N 2 2 292.383 -0.030 20 0 CBADLP C[N@H+]([C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1)[C@H]1CCNC1=O ZINC000980538340 616116438 /nfs/dbraw/zinc/11/64/38/616116438.db2.gz FIPXXRDNDISLLB-RYUDHWBXSA-N 2 2 291.355 -0.696 20 0 CBADLP C[N@@H+]([C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1)[C@H]1CCNC1=O ZINC000980538340 616116439 /nfs/dbraw/zinc/11/64/39/616116439.db2.gz FIPXXRDNDISLLB-RYUDHWBXSA-N 2 2 291.355 -0.696 20 0 CBADLP C[N@H+]([C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1)[C@H]1CCNC1=O ZINC000980538337 616117760 /nfs/dbraw/zinc/11/77/60/616117760.db2.gz FIPXXRDNDISLLB-NEPJUHHUSA-N 2 2 291.355 -0.696 20 0 CBADLP C[N@@H+]([C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1)[C@H]1CCNC1=O ZINC000980538337 616117761 /nfs/dbraw/zinc/11/77/61/616117761.db2.gz FIPXXRDNDISLLB-NEPJUHHUSA-N 2 2 291.355 -0.696 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCF)C[C@H]32)C1 ZINC000958475513 616253320 /nfs/dbraw/zinc/25/33/20/616253320.db2.gz XDYARYCFQWHBGA-KXNHARMFSA-N 2 2 271.336 -0.667 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCF)C[C@H]32)C1 ZINC000958475513 616253321 /nfs/dbraw/zinc/25/33/21/616253321.db2.gz XDYARYCFQWHBGA-KXNHARMFSA-N 2 2 271.336 -0.667 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CCF)C[C@H]32)C1 ZINC000958475513 616253322 /nfs/dbraw/zinc/25/33/22/616253322.db2.gz XDYARYCFQWHBGA-KXNHARMFSA-N 2 2 271.336 -0.667 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCF)C[C@H]32)C1 ZINC000958475513 616253323 /nfs/dbraw/zinc/25/33/23/616253323.db2.gz XDYARYCFQWHBGA-KXNHARMFSA-N 2 2 271.336 -0.667 20 0 CBADLP CNC(=O)C[N@@H+]1CCCN(C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC000981953691 616603149 /nfs/dbraw/zinc/60/31/49/616603149.db2.gz ROAGJSUAROVXMX-ZDUSSCGKSA-N 2 2 296.415 -0.249 20 0 CBADLP CNC(=O)C[N@H+]1CCCN(C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC000981953691 616603152 /nfs/dbraw/zinc/60/31/52/616603152.db2.gz ROAGJSUAROVXMX-ZDUSSCGKSA-N 2 2 296.415 -0.249 20 0 CBADLP CNC(=O)C[NH+]1CCCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC000981953691 616603154 /nfs/dbraw/zinc/60/31/54/616603154.db2.gz ROAGJSUAROVXMX-ZDUSSCGKSA-N 2 2 296.415 -0.249 20 0 CBADLP CNC(=O)C[NH+]1CCCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC000981953691 616603158 /nfs/dbraw/zinc/60/31/58/616603158.db2.gz ROAGJSUAROVXMX-ZDUSSCGKSA-N 2 2 296.415 -0.249 20 0 CBADLP CNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC000981960233 616605631 /nfs/dbraw/zinc/60/56/31/616605631.db2.gz UIWRXQSERSWISI-STQMWFEESA-N 2 2 296.415 -0.536 20 0 CBADLP CNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC000981960233 616605633 /nfs/dbraw/zinc/60/56/33/616605633.db2.gz UIWRXQSERSWISI-STQMWFEESA-N 2 2 296.415 -0.536 20 0 CBADLP CNC(=O)C[NH+]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000981960233 616605634 /nfs/dbraw/zinc/60/56/34/616605634.db2.gz UIWRXQSERSWISI-STQMWFEESA-N 2 2 296.415 -0.536 20 0 CBADLP CNC(=O)C[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000981960233 616605636 /nfs/dbraw/zinc/60/56/36/616605636.db2.gz UIWRXQSERSWISI-STQMWFEESA-N 2 2 296.415 -0.536 20 0 CBADLP CO[C@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1 ZINC000963014582 617072484 /nfs/dbraw/zinc/07/24/84/617072484.db2.gz GFSBRYBQFMEFRD-NMKXLXIOSA-N 2 2 278.356 -0.036 20 0 CBADLP CO[C@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1 ZINC000963014582 617072487 /nfs/dbraw/zinc/07/24/87/617072487.db2.gz GFSBRYBQFMEFRD-NMKXLXIOSA-N 2 2 278.356 -0.036 20 0 CBADLP CO[C@@H](C)C[N@@H+]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000980893581 617152069 /nfs/dbraw/zinc/15/20/69/617152069.db2.gz NIBMMLZAEJXYPW-KBPBESRZSA-N 2 2 299.415 -0.114 20 0 CBADLP CO[C@@H](C)C[N@H+]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000980893581 617152070 /nfs/dbraw/zinc/15/20/70/617152070.db2.gz NIBMMLZAEJXYPW-KBPBESRZSA-N 2 2 299.415 -0.114 20 0 CBADLP CO[C@@H](C)C[NH+]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000980893581 617152071 /nfs/dbraw/zinc/15/20/71/617152071.db2.gz NIBMMLZAEJXYPW-KBPBESRZSA-N 2 2 299.415 -0.114 20 0 CBADLP CO[C@@H](C)C[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000980893581 617152072 /nfs/dbraw/zinc/15/20/72/617152072.db2.gz NIBMMLZAEJXYPW-KBPBESRZSA-N 2 2 299.415 -0.114 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000311025521 656145210 /nfs/dbraw/zinc/14/52/10/656145210.db2.gz MLGDABFEZULGIQ-XQQFMLRXSA-N 3 2 259.394 -0.405 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000311025521 656145213 /nfs/dbraw/zinc/14/52/13/656145213.db2.gz MLGDABFEZULGIQ-XQQFMLRXSA-N 3 2 259.394 -0.405 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000311025521 656145207 /nfs/dbraw/zinc/14/52/07/656145207.db2.gz MLGDABFEZULGIQ-XQQFMLRXSA-N 3 2 259.394 -0.405 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000311025521 656145208 /nfs/dbraw/zinc/14/52/08/656145208.db2.gz MLGDABFEZULGIQ-XQQFMLRXSA-N 3 2 259.394 -0.405 20 0 CBADLP C[N@@H+](CC(N)=O)C[C@H]1CN(CCC[NH2+]C2CC2)CCO1 ZINC000923374401 658246708 /nfs/dbraw/zinc/24/67/08/658246708.db2.gz WKZLEDFIMMEXET-ZDUSSCGKSA-N 2 2 284.404 -0.754 20 0 CBADLP C[N@H+](CC(N)=O)C[C@H]1CN(CCC[NH2+]C2CC2)CCO1 ZINC000923374401 658246724 /nfs/dbraw/zinc/24/67/24/658246724.db2.gz WKZLEDFIMMEXET-ZDUSSCGKSA-N 2 2 284.404 -0.754 20 0 CBADLP CC(C)N(C)S(=O)(=O)N1CC[NH2+]CC[NH2+]CC1 ZINC000923690560 658397696 /nfs/dbraw/zinc/39/76/96/658397696.db2.gz LLWPGUSIVLAVLL-UHFFFAOYSA-N 2 2 264.395 -0.934 20 0 CBADLP O=S(=O)(N1CC[NH2+]CC1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000923624532 658357692 /nfs/dbraw/zinc/35/76/92/658357692.db2.gz JGHXGMUFBAQXJM-NSHDSACASA-N 2 2 299.400 -0.261 20 0 CBADLP O=S(=O)(C1C[NH2+]C1)N1CC[NH2+]C[C@H]1c1ccncc1 ZINC000923644379 658370545 /nfs/dbraw/zinc/37/05/45/658370545.db2.gz JDENPXCVWJTQCJ-LBPRGKRZSA-N 2 2 282.369 -0.671 20 0 CBADLP O=S1(=O)CCNC[C@@H]1CC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925790006 658872396 /nfs/dbraw/zinc/87/23/96/658872396.db2.gz ZWKNPXQGMXULRI-RYUDHWBXSA-N 2 2 287.429 -0.363 20 0 CBADLP COC[C@@H]1COCC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000933337935 659705867 /nfs/dbraw/zinc/70/58/67/659705867.db2.gz XDURGDDDFHPSIF-CYBMUJFWSA-N 2 2 285.388 -0.502 20 0 CBADLP COC[C@@H]1COCC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000933337935 659705869 /nfs/dbraw/zinc/70/58/69/659705869.db2.gz XDURGDDDFHPSIF-CYBMUJFWSA-N 2 2 285.388 -0.502 20 0 CBADLP C[C@@H]1CN(C(=O)C[N@H+](C)C2CC[NH2+]CC2)CCO1 ZINC000036300326 656001359 /nfs/dbraw/zinc/00/13/59/656001359.db2.gz LREAGHOTTCUUGD-LLVKDONJSA-N 2 2 255.362 -0.083 20 0 CBADLP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CC[NH2+]CC2)CCO1 ZINC000036300326 656001363 /nfs/dbraw/zinc/00/13/63/656001363.db2.gz LREAGHOTTCUUGD-LLVKDONJSA-N 2 2 255.362 -0.083 20 0 CBADLP CC(C)[NH+]1CCN(S(=O)(=O)N2CC[NH2+]CC2)CC1 ZINC000036190301 656001505 /nfs/dbraw/zinc/00/15/05/656001505.db2.gz RYMGDUNPTKHLKL-UHFFFAOYSA-N 2 2 276.406 -0.838 20 0 CBADLP CO[C@H]1CCC[C@@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000050373721 656020848 /nfs/dbraw/zinc/02/08/48/656020848.db2.gz MCWSMKMEHVAKGT-RYUDHWBXSA-N 2 2 255.362 -0.083 20 0 CBADLP C[N@H+](CCCN1CC[NH+](C)CC1)[C@H]1CCOC1=O ZINC000174724057 656086447 /nfs/dbraw/zinc/08/64/47/656086447.db2.gz TZTKYIIEAVGECL-LBPRGKRZSA-N 2 2 255.362 -0.129 20 0 CBADLP C[N@@H+](CCCN1CC[NH+](C)CC1)[C@H]1CCOC1=O ZINC000174724057 656086454 /nfs/dbraw/zinc/08/64/54/656086454.db2.gz TZTKYIIEAVGECL-LBPRGKRZSA-N 2 2 255.362 -0.129 20 0 CBADLP CC[N@@H+](CC(=O)NC)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000227800134 656108856 /nfs/dbraw/zinc/10/88/56/656108856.db2.gz KAWUYPWPGCRHKV-KBPBESRZSA-N 2 2 279.384 -0.015 20 0 CBADLP CC[N@H+](CC(=O)NC)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000227800134 656108858 /nfs/dbraw/zinc/10/88/58/656108858.db2.gz KAWUYPWPGCRHKV-KBPBESRZSA-N 2 2 279.384 -0.015 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000229089889 656111178 /nfs/dbraw/zinc/11/11/78/656111178.db2.gz KPTLUYVLQPHAMD-STQMWFEESA-N 2 2 298.431 -0.112 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000229089889 656111181 /nfs/dbraw/zinc/11/11/81/656111181.db2.gz KPTLUYVLQPHAMD-STQMWFEESA-N 2 2 298.431 -0.112 20 0 CBADLP C[C@H]1CC[N@H+](CC(=O)NC(=O)NC2CC2)C[C@H]1C[NH3+] ZINC000253182028 656123530 /nfs/dbraw/zinc/12/35/30/656123530.db2.gz FPSHIHQHHMKNEY-VHSXEESVSA-N 2 2 268.361 -0.109 20 0 CBADLP C[C@H]1CC[N@@H+](CC(=O)NC(=O)NC2CC2)C[C@H]1C[NH3+] ZINC000253182028 656123532 /nfs/dbraw/zinc/12/35/32/656123532.db2.gz FPSHIHQHHMKNEY-VHSXEESVSA-N 2 2 268.361 -0.109 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]([NH3+])CC1CC1 ZINC000310771436 656144266 /nfs/dbraw/zinc/14/42/66/656144266.db2.gz UDQSLLBQJBITIS-JQWIXIFHSA-N 2 2 255.362 -0.049 20 0 CBADLP CC(=O)N[C@@H]1CC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000311010906 656144916 /nfs/dbraw/zinc/14/49/16/656144916.db2.gz ZWGGHZFNIHXMQS-CHWSQXEVSA-N 2 2 255.362 -0.347 20 0 CBADLP CC(=O)N[C@@H]1CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000311010906 656144918 /nfs/dbraw/zinc/14/49/18/656144918.db2.gz ZWGGHZFNIHXMQS-CHWSQXEVSA-N 2 2 255.362 -0.347 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000311025514 656145158 /nfs/dbraw/zinc/14/51/58/656145158.db2.gz MLGDABFEZULGIQ-AGIUHOORSA-N 3 2 259.394 -0.405 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000311025514 656145161 /nfs/dbraw/zinc/14/51/61/656145161.db2.gz MLGDABFEZULGIQ-AGIUHOORSA-N 3 2 259.394 -0.405 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000311025514 656145163 /nfs/dbraw/zinc/14/51/63/656145163.db2.gz MLGDABFEZULGIQ-AGIUHOORSA-N 3 2 259.394 -0.405 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000311025514 656145164 /nfs/dbraw/zinc/14/51/64/656145164.db2.gz MLGDABFEZULGIQ-AGIUHOORSA-N 3 2 259.394 -0.405 20 0 CBADLP CCNC(=O)C(C)(C)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000313061834 656147633 /nfs/dbraw/zinc/14/76/33/656147633.db2.gz RLJAERXFNOJCQW-NSHDSACASA-N 2 2 257.378 -0.053 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)N2CCOCC2)CC1 ZINC000321793258 656148424 /nfs/dbraw/zinc/14/84/24/656148424.db2.gz KYUHKPQRLRQSHT-UHFFFAOYSA-N 2 2 256.350 -0.549 20 0 CBADLP C[N@H+](CCN1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O)C1CC1 ZINC000348428690 656157542 /nfs/dbraw/zinc/15/75/42/656157542.db2.gz BFEBOGOYXWCDBZ-NSHDSACASA-N 2 2 277.328 -0.033 20 0 CBADLP C[N@@H+](CCN1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O)C1CC1 ZINC000348428690 656157546 /nfs/dbraw/zinc/15/75/46/656157546.db2.gz BFEBOGOYXWCDBZ-NSHDSACASA-N 2 2 277.328 -0.033 20 0 CBADLP C[N@H+](CCN1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O)C1CC1 ZINC000348428690 656157548 /nfs/dbraw/zinc/15/75/48/656157548.db2.gz BFEBOGOYXWCDBZ-NSHDSACASA-N 2 2 277.328 -0.033 20 0 CBADLP C[N@@H+](CCN1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O)C1CC1 ZINC000348428690 656157551 /nfs/dbraw/zinc/15/75/51/656157551.db2.gz BFEBOGOYXWCDBZ-NSHDSACASA-N 2 2 277.328 -0.033 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000708853236 656194960 /nfs/dbraw/zinc/19/49/60/656194960.db2.gz QKQPGCYZVKIOMP-UPJWGTAASA-N 3 2 259.394 -0.548 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000708853236 656194964 /nfs/dbraw/zinc/19/49/64/656194964.db2.gz QKQPGCYZVKIOMP-UPJWGTAASA-N 3 2 259.394 -0.548 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000708853236 656194966 /nfs/dbraw/zinc/19/49/66/656194966.db2.gz QKQPGCYZVKIOMP-UPJWGTAASA-N 3 2 259.394 -0.548 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000708853236 656194969 /nfs/dbraw/zinc/19/49/69/656194969.db2.gz QKQPGCYZVKIOMP-UPJWGTAASA-N 3 2 259.394 -0.548 20 0 CBADLP C[NH+](C)CC1(O)CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000710572022 656198871 /nfs/dbraw/zinc/19/88/71/656198871.db2.gz YJFXWEMKVCQQDO-AWEZNQCLSA-N 3 2 285.432 -0.170 20 0 CBADLP C[NH+](C)CC1(O)CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000710572022 656198873 /nfs/dbraw/zinc/19/88/73/656198873.db2.gz YJFXWEMKVCQQDO-AWEZNQCLSA-N 3 2 285.432 -0.170 20 0 CBADLP COC[C@]1(C(=O)N[C@@H](C)Cn2cc[nH+]c2)C[NH2+]CCO1 ZINC000710722566 656199858 /nfs/dbraw/zinc/19/98/58/656199858.db2.gz BVDYOAXQRPIJIY-AAEUAGOBSA-N 2 2 282.344 -0.607 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000713352033 656212615 /nfs/dbraw/zinc/21/26/15/656212615.db2.gz NNUJQJLBAACLPF-NMKXLXIOSA-N 2 2 267.373 -0.049 20 0 CBADLP Cn1ncc2c1nc[nH+]c2N1CC[C@](O)(C[NH+](C)C)C1 ZINC000713677845 656213124 /nfs/dbraw/zinc/21/31/24/656213124.db2.gz OLCSJYNHCUBMKF-ZDUSSCGKSA-N 2 2 276.344 -0.134 20 0 CBADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)CN1CC[NH2+]CC1 ZINC000877432378 656247657 /nfs/dbraw/zinc/24/76/57/656247657.db2.gz CMHARZXDRSFUTL-ZDUSSCGKSA-N 2 2 284.404 -0.881 20 0 CBADLP CC[C@H]1COCC[N@H+]1CCNC(=O)CN1CC[NH2+]CC1 ZINC000877432378 656247659 /nfs/dbraw/zinc/24/76/59/656247659.db2.gz CMHARZXDRSFUTL-ZDUSSCGKSA-N 2 2 284.404 -0.881 20 0 CBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]([NH3+])CC1CC1 ZINC000884426988 656253234 /nfs/dbraw/zinc/25/32/34/656253234.db2.gz ABWRPUBZTQYGQJ-OLZOCXBDSA-N 2 2 285.388 -0.735 20 0 CBADLP C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CN(C)CC[NH+]1C ZINC000896560801 656289232 /nfs/dbraw/zinc/28/92/32/656289232.db2.gz TVRLEDPSCZTCHG-RWMBFGLXSA-N 2 2 268.405 -0.311 20 0 CBADLP C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CN(C)CC[NH+]1C ZINC000896560801 656289238 /nfs/dbraw/zinc/28/92/38/656289238.db2.gz TVRLEDPSCZTCHG-RWMBFGLXSA-N 2 2 268.405 -0.311 20 0 CBADLP C[C@H](NC(=O)[C@H]1CC[NH+](C)C1)[C@H]1CN(C)CC[N@@H+]1C ZINC000896560801 656289242 /nfs/dbraw/zinc/28/92/42/656289242.db2.gz TVRLEDPSCZTCHG-RWMBFGLXSA-N 2 2 268.405 -0.311 20 0 CBADLP C[C@H](NC(=O)[C@H]1CC[NH+](C)C1)[C@H]1CN(C)CC[N@H+]1C ZINC000896560801 656289247 /nfs/dbraw/zinc/28/92/47/656289247.db2.gz TVRLEDPSCZTCHG-RWMBFGLXSA-N 2 2 268.405 -0.311 20 0 CBADLP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CC[NH+](C(C)(C)CO)CC1 ZINC000901227939 656317681 /nfs/dbraw/zinc/31/76/81/656317681.db2.gz JRDGBDGDFUZJQL-SWLSCSKDSA-N 2 2 299.415 -0.643 20 0 CBADLP CNS(=O)(=O)[C@H]1CC[N@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000904329453 656325205 /nfs/dbraw/zinc/32/52/05/656325205.db2.gz ZDFWHVMBAQCHQI-RYUDHWBXSA-N 2 2 275.418 0.000 20 0 CBADLP CNS(=O)(=O)[C@H]1CC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000904329453 656325208 /nfs/dbraw/zinc/32/52/08/656325208.db2.gz ZDFWHVMBAQCHQI-RYUDHWBXSA-N 2 2 275.418 0.000 20 0 CBADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CC[C@@H](CS(N)(=O)=O)C1 ZINC000904428498 656327027 /nfs/dbraw/zinc/32/70/27/656327027.db2.gz MSPVAFQCHKSLMA-GHMZBOCLSA-N 2 2 263.407 -0.030 20 0 CBADLP CC(C)C[C@@H]([NH3+])C[N@H+]1CC[C@@H](CS(N)(=O)=O)C1 ZINC000904428498 656327033 /nfs/dbraw/zinc/32/70/33/656327033.db2.gz MSPVAFQCHKSLMA-GHMZBOCLSA-N 2 2 263.407 -0.030 20 0 CBADLP C[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[C@]32C[NH3+])CC1 ZINC000905001761 656332489 /nfs/dbraw/zinc/33/24/89/656332489.db2.gz QBPHDCQMDVBDRX-FZMZJTMJSA-N 2 2 280.372 -0.900 20 0 CBADLP O[C@@H](C[NH2+][C@@H]1CC[N@H+](CC2CC2)C1)C1(O)CCOCC1 ZINC000905100391 656338720 /nfs/dbraw/zinc/33/87/20/656338720.db2.gz DRCHZLFBRVBVLL-KGLIPLIRSA-N 2 2 284.400 -0.037 20 0 CBADLP O[C@@H](C[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)C1(O)CCOCC1 ZINC000905100391 656338725 /nfs/dbraw/zinc/33/87/25/656338725.db2.gz DRCHZLFBRVBVLL-KGLIPLIRSA-N 2 2 284.400 -0.037 20 0 CBADLP O[C@H](C[NH2+][C@H]1CC[N@H+](CC2CC2)C1)C[C@]1(O)CCOC1 ZINC000905102586 656339228 /nfs/dbraw/zinc/33/92/28/656339228.db2.gz UFASDRDRTLQIAW-SOUVJXGZSA-N 2 2 284.400 -0.037 20 0 CBADLP O[C@H](C[NH2+][C@H]1CC[N@@H+](CC2CC2)C1)C[C@]1(O)CCOC1 ZINC000905102586 656339232 /nfs/dbraw/zinc/33/92/32/656339232.db2.gz UFASDRDRTLQIAW-SOUVJXGZSA-N 2 2 284.400 -0.037 20 0 CBADLP CC[NH2+]CCCNS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000905328973 656349273 /nfs/dbraw/zinc/34/92/73/656349273.db2.gz GGFQBIXESDNSNX-UHFFFAOYSA-N 2 2 293.433 -0.372 20 0 CBADLP C[C@@H]([NH3+])[C@H](C)NS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000905343574 656350437 /nfs/dbraw/zinc/35/04/37/656350437.db2.gz JVKHSOAARSMLFQ-MNOVXSKESA-N 2 2 279.406 -0.636 20 0 CBADLP NC(=O)CC[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000905447499 656357484 /nfs/dbraw/zinc/35/74/84/656357484.db2.gz RVFKLZGNXHTCBO-CYBMUJFWSA-N 2 2 284.404 -0.752 20 0 CBADLP CCO[C@H](C[NH2+]C[C@@H](O)C1(O)CCOCC1)C[NH+](C)C ZINC000905575170 656362441 /nfs/dbraw/zinc/36/24/41/656362441.db2.gz HFKRDRQPYVARDE-CHWSQXEVSA-N 2 2 290.404 -0.555 20 0 CBADLP CON1CC[C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1=O ZINC000905772285 656367731 /nfs/dbraw/zinc/36/77/31/656367731.db2.gz CPIYSKBWBLXTNW-CHWSQXEVSA-N 2 2 283.372 -0.008 20 0 CBADLP CON1CC[C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1=O ZINC000905772292 656367916 /nfs/dbraw/zinc/36/79/16/656367916.db2.gz CPIYSKBWBLXTNW-STQMWFEESA-N 2 2 283.372 -0.008 20 0 CBADLP COC(=O)CC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000906662227 656396172 /nfs/dbraw/zinc/39/61/72/656396172.db2.gz VTLLIQIHABGGRE-NSHDSACASA-N 2 2 283.372 -0.166 20 0 CBADLP COC(=O)CC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000906662227 656396173 /nfs/dbraw/zinc/39/61/73/656396173.db2.gz VTLLIQIHABGGRE-NSHDSACASA-N 2 2 283.372 -0.166 20 0 CBADLP C[C@@H]([NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2)CC1(C)C)C(N)=O ZINC000996714322 656453997 /nfs/dbraw/zinc/45/39/97/656453997.db2.gz KLSUFANIRMYIEO-MNOVXSKESA-N 2 2 293.371 -0.417 20 0 CBADLP CC[C@@H]([NH2+]C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1)C(N)=O ZINC000997040663 656464200 /nfs/dbraw/zinc/46/42/00/656464200.db2.gz IICTWLBGIRTDNT-GFCCVEGCSA-N 2 2 293.371 -0.203 20 0 CBADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC([NH2+]CC(N)=O)CC1 ZINC000997082099 656465017 /nfs/dbraw/zinc/46/50/17/656465017.db2.gz BUVDMFPSWXPBRN-JTQLQIEISA-N 2 2 293.371 -0.346 20 0 CBADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC([NH2+]CC(N)=O)CC1 ZINC000997082099 656465021 /nfs/dbraw/zinc/46/50/21/656465021.db2.gz BUVDMFPSWXPBRN-JTQLQIEISA-N 2 2 293.371 -0.346 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC([NH2+]CC(N)=O)CC1 ZINC000997082102 656465260 /nfs/dbraw/zinc/46/52/60/656465260.db2.gz BUVDMFPSWXPBRN-SNVBAGLBSA-N 2 2 293.371 -0.346 20 0 CBADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC([NH2+]CC(N)=O)CC1 ZINC000997082102 656465264 /nfs/dbraw/zinc/46/52/64/656465264.db2.gz BUVDMFPSWXPBRN-SNVBAGLBSA-N 2 2 293.371 -0.346 20 0 CBADLP CC(C)(C(=O)N1CCC([NH2+]CCO)CC1)[NH+]1CCOCC1 ZINC000997093718 656466303 /nfs/dbraw/zinc/46/63/03/656466303.db2.gz MQZBVSALQHWOQN-UHFFFAOYSA-N 2 2 299.415 -0.330 20 0 CBADLP Cn1c[nH+]cc1CCNC(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000907308512 656486169 /nfs/dbraw/zinc/48/61/69/656486169.db2.gz UPKYKNKSWSFCOJ-CQSZACIVSA-N 2 2 280.372 -0.074 20 0 CBADLP Cn1c[nH+]cc1CCNC(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000907308512 656486181 /nfs/dbraw/zinc/48/61/81/656486181.db2.gz UPKYKNKSWSFCOJ-CQSZACIVSA-N 2 2 280.372 -0.074 20 0 CBADLP CC(C)[NH+]1CC(NC(=O)C2CN(C)CC[N@H+](C)C2)C1 ZINC000907514298 656518855 /nfs/dbraw/zinc/51/88/55/656518855.db2.gz DYBRXCNXFPSTMT-UHFFFAOYSA-N 2 2 268.405 -0.311 20 0 CBADLP CC(C)[NH+]1CC(NC(=O)C2CN(C)CC[N@@H+](C)C2)C1 ZINC000907514298 656518861 /nfs/dbraw/zinc/51/88/61/656518861.db2.gz DYBRXCNXFPSTMT-UHFFFAOYSA-N 2 2 268.405 -0.311 20 0 CBADLP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NCC[NH+]1CCCOCC1 ZINC000907614412 656541301 /nfs/dbraw/zinc/54/13/01/656541301.db2.gz YCVIUQIIUVMAGO-TZMCWYRMSA-N 2 2 285.388 -0.720 20 0 CBADLP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NCC[NH+]1CCCOCC1 ZINC000907614412 656541312 /nfs/dbraw/zinc/54/13/12/656541312.db2.gz YCVIUQIIUVMAGO-TZMCWYRMSA-N 2 2 285.388 -0.720 20 0 CBADLP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)NCC[N@H+]1CCCOCC1 ZINC000907614412 656541355 /nfs/dbraw/zinc/54/13/55/656541355.db2.gz YCVIUQIIUVMAGO-TZMCWYRMSA-N 2 2 285.388 -0.720 20 0 CBADLP NC(=O)C[NH2+][C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000999047510 656604013 /nfs/dbraw/zinc/60/40/13/656604013.db2.gz VMPNGONCIVWMMU-SNVBAGLBSA-N 2 2 279.344 -0.592 20 0 CBADLP C[C@H](O)C[NH2+]C1CC(N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000999467658 656630643 /nfs/dbraw/zinc/63/06/43/656630643.db2.gz DUXSUJZQXKYSJM-BMQDGWLCSA-N 2 2 266.345 -0.088 20 0 CBADLP C[C@H](O)C[NH2+]C1CC(N(C)C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000999606518 656635830 /nfs/dbraw/zinc/63/58/30/656635830.db2.gz UTMCEUGASWDSLD-WHXUTIOJSA-N 2 2 266.345 -0.088 20 0 CBADLP C[C@@H]([NH2+]C1CC(N(C)C(=O)Cc2c[nH+]cn2C)C1)C(N)=O ZINC000999687020 656644929 /nfs/dbraw/zinc/64/49/29/656644929.db2.gz DIVJNQZQHCVUCO-KPPDAEKUSA-N 2 2 293.371 -0.585 20 0 CBADLP CN(C(=O)Cn1cc[nH+]c1)C1CC([NH2+][C@H]2CCNC2=O)C1 ZINC000999915051 656669358 /nfs/dbraw/zinc/66/93/58/656669358.db2.gz FXEAIRIFEWEONL-MCIGGMRASA-N 2 2 291.355 -0.649 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@@H](CO)C[NH+]1CCCC1 ZINC000908206274 656674372 /nfs/dbraw/zinc/67/43/72/656674372.db2.gz YQHRJKSPUVPXRK-LLVKDONJSA-N 2 2 252.318 -0.544 20 0 CBADLP Cn1c[nH+]cc1CNC(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000908259458 656687026 /nfs/dbraw/zinc/68/70/26/656687026.db2.gz IPKMPRWEPLIJBQ-PWSUYJOCSA-N 2 2 252.318 -0.509 20 0 CBADLP Cn1c[nH+]cc1CNC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC000908259458 656687027 /nfs/dbraw/zinc/68/70/27/656687027.db2.gz IPKMPRWEPLIJBQ-PWSUYJOCSA-N 2 2 252.318 -0.509 20 0 CBADLP C[C@H](CC(=O)N1CCC[C@@H]([NH2+]CC(N)=O)C1)n1cc[nH+]c1 ZINC001000332879 656710743 /nfs/dbraw/zinc/71/07/43/656710743.db2.gz AUDZKHZEOWEQSH-VXGBXAGGSA-N 2 2 293.371 -0.100 20 0 CBADLP NC(=O)C[NH2+][C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001000324437 656710808 /nfs/dbraw/zinc/71/08/08/656710808.db2.gz NPLQOTMJVAFCMK-SECBINFHSA-N 2 2 265.317 -0.982 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001000319634 656711406 /nfs/dbraw/zinc/71/14/06/656711406.db2.gz COHJGGAFESKWRD-JQWIXIFHSA-N 2 2 291.355 -0.579 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H]([NH2+]CC(N)=O)C1 ZINC001000425363 656714811 /nfs/dbraw/zinc/71/48/11/656714811.db2.gz HJPDGCPNASPXOP-GHMZBOCLSA-N 2 2 293.371 -0.346 20 0 CBADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H]([NH2+]CC(N)=O)C1 ZINC001000425363 656714833 /nfs/dbraw/zinc/71/48/33/656714833.db2.gz HJPDGCPNASPXOP-GHMZBOCLSA-N 2 2 293.371 -0.346 20 0 CBADLP CC[C@@H](C(=O)N1CC(NC(=O)Cc2c[nH]c[nH+]2)C1)[NH+](C)C ZINC001000562436 656739077 /nfs/dbraw/zinc/73/90/77/656739077.db2.gz PALGHYLEGGSWKC-LBPRGKRZSA-N 2 2 293.371 -0.381 20 0 CBADLP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000908757938 656758060 /nfs/dbraw/zinc/75/80/60/656758060.db2.gz GHTMOHSDWFNMNM-XWIASGKRSA-N 2 2 264.329 -0.621 20 0 CBADLP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000908757938 656758066 /nfs/dbraw/zinc/75/80/66/656758066.db2.gz GHTMOHSDWFNMNM-XWIASGKRSA-N 2 2 264.329 -0.621 20 0 CBADLP C[N@@H+]1CCC[C@](O)(CC(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1 ZINC000908759991 656758523 /nfs/dbraw/zinc/75/85/23/656758523.db2.gz JUXVXRWDYTVIFM-RISCZKNCSA-N 2 2 278.356 -0.229 20 0 CBADLP C[N@H+]1CCC[C@](O)(CC(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1 ZINC000908759991 656758528 /nfs/dbraw/zinc/75/85/28/656758528.db2.gz JUXVXRWDYTVIFM-RISCZKNCSA-N 2 2 278.356 -0.229 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@H]([NH2+]CC(N)=O)C1 ZINC001000689286 656759567 /nfs/dbraw/zinc/75/95/67/656759567.db2.gz OUONJPIZVWBEAA-JTQLQIEISA-N 2 2 279.344 -0.972 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001000803853 656765683 /nfs/dbraw/zinc/76/56/83/656765683.db2.gz WLSDHBHHULYKDO-LLVKDONJSA-N 2 2 266.345 -0.166 20 0 CBADLP C[C@@H]1C[N@H+](CCO)CCN1C(=O)C[NH+](C)C1CCC1 ZINC000909435910 656814004 /nfs/dbraw/zinc/81/40/04/656814004.db2.gz CMQZTJJCPNACDY-GFCCVEGCSA-N 2 2 269.389 -0.004 20 0 CBADLP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)C[NH+](C)C1CCC1 ZINC000909435910 656814006 /nfs/dbraw/zinc/81/40/06/656814006.db2.gz CMQZTJJCPNACDY-GFCCVEGCSA-N 2 2 269.389 -0.004 20 0 CBADLP C[C@@H]1C[NH+](CCO)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC000909435910 656814008 /nfs/dbraw/zinc/81/40/08/656814008.db2.gz CMQZTJJCPNACDY-GFCCVEGCSA-N 2 2 269.389 -0.004 20 0 CBADLP C[C@@H]1C[NH+](CCO)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC000909435910 656814010 /nfs/dbraw/zinc/81/40/10/656814010.db2.gz CMQZTJJCPNACDY-GFCCVEGCSA-N 2 2 269.389 -0.004 20 0 CBADLP CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CC[NH+](CC)CC1 ZINC000910526448 656867222 /nfs/dbraw/zinc/86/72/22/656867222.db2.gz KRSBBGHAJXIEND-LBPRGKRZSA-N 2 2 282.388 -0.639 20 0 CBADLP CC[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CC[NH+](CC)CC1 ZINC000910526448 656867229 /nfs/dbraw/zinc/86/72/29/656867229.db2.gz KRSBBGHAJXIEND-LBPRGKRZSA-N 2 2 282.388 -0.639 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC1CC[NH+](CCO)CC1 ZINC001003972934 656878557 /nfs/dbraw/zinc/87/85/57/656878557.db2.gz CCPFPLOLFOHAKF-UHFFFAOYSA-N 2 2 266.345 -0.465 20 0 CBADLP C[C@H](O)C[NH+]1CCC(NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001003970526 656878592 /nfs/dbraw/zinc/87/85/92/656878592.db2.gz JEYLSMUHCIFSDQ-NSHDSACASA-N 2 2 280.372 -0.076 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001004257077 656883298 /nfs/dbraw/zinc/88/32/98/656883298.db2.gz IHHLPJRAMSKOTL-GFCCVEGCSA-N 2 2 291.355 -0.648 20 0 CBADLP CNC(=O)C[NH+]1CCC(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001004256065 656883582 /nfs/dbraw/zinc/88/35/82/656883582.db2.gz CNRMKYIXCLPPDB-UHFFFAOYSA-N 2 2 279.344 -0.790 20 0 CBADLP [NH3+]C[C@@]12CC[C@H]1CCN2C(=O)C(=O)NCCn1cc[nH+]c1 ZINC000910986928 656921794 /nfs/dbraw/zinc/92/17/94/656921794.db2.gz LZGIHDXDUBGQCS-FZMZJTMJSA-N 2 2 291.355 -0.661 20 0 CBADLP C[C@@H]1CN(C(=O)C(=O)NCCn2cc[nH+]c2)C[C@H]1CC[NH3+] ZINC000910985924 656923418 /nfs/dbraw/zinc/92/34/18/656923418.db2.gz FOQFLUIAISIRHE-VXGBXAGGSA-N 2 2 293.371 -0.557 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC000911229686 656990365 /nfs/dbraw/zinc/99/03/65/656990365.db2.gz LXFJSOYJIHOPRW-OUAUKWLOSA-N 2 2 279.344 -0.888 20 0 CBADLP C[NH2+]CCN(C(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1)C(C)C ZINC000911230584 656990432 /nfs/dbraw/zinc/99/04/32/656990432.db2.gz ROECIQSHVWNDGI-LBPRGKRZSA-N 2 2 295.387 -0.156 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000911228481 656990951 /nfs/dbraw/zinc/99/09/51/656990951.db2.gz GINPORRFJUTRHV-WHOHXGKFSA-N 2 2 291.355 -0.603 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000911228551 656991653 /nfs/dbraw/zinc/99/16/53/656991653.db2.gz HEGGBURSAJBPIR-WDEREUQCSA-N 2 2 293.371 -0.498 20 0 CBADLP NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001007350205 657006662 /nfs/dbraw/zinc/00/66/62/657006662.db2.gz PKXDTHMGNDGKIG-OLZOCXBDSA-N 2 2 294.399 -0.606 20 0 CBADLP NC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001007350205 657006668 /nfs/dbraw/zinc/00/66/68/657006668.db2.gz PKXDTHMGNDGKIG-OLZOCXBDSA-N 2 2 294.399 -0.606 20 0 CBADLP CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001007370336 657008160 /nfs/dbraw/zinc/00/81/60/657008160.db2.gz ZFTIYVBBJJXQCI-FRRDWIJNSA-N 2 2 296.415 -0.347 20 0 CBADLP CNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001007370336 657008164 /nfs/dbraw/zinc/00/81/64/657008164.db2.gz ZFTIYVBBJJXQCI-FRRDWIJNSA-N 2 2 296.415 -0.347 20 0 CBADLP CNC(=O)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001007370336 657008169 /nfs/dbraw/zinc/00/81/69/657008169.db2.gz ZFTIYVBBJJXQCI-FRRDWIJNSA-N 2 2 296.415 -0.347 20 0 CBADLP CNC(=O)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001007370336 657008173 /nfs/dbraw/zinc/00/81/73/657008173.db2.gz ZFTIYVBBJJXQCI-FRRDWIJNSA-N 2 2 296.415 -0.347 20 0 CBADLP CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001007945320 657027334 /nfs/dbraw/zinc/02/73/34/657027334.db2.gz WNQXLHQLPZGSNZ-LBPRGKRZSA-N 2 2 293.371 -0.482 20 0 CBADLP CNC(=O)C[N@H+]1CCC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001007945320 657027338 /nfs/dbraw/zinc/02/73/38/657027338.db2.gz WNQXLHQLPZGSNZ-LBPRGKRZSA-N 2 2 293.371 -0.482 20 0 CBADLP CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001008530621 657047886 /nfs/dbraw/zinc/04/78/86/657047886.db2.gz BEKYWKWLSFNNDU-QWHCGFSZSA-N 2 2 296.415 -0.345 20 0 CBADLP CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001008530621 657047890 /nfs/dbraw/zinc/04/78/90/657047890.db2.gz BEKYWKWLSFNNDU-QWHCGFSZSA-N 2 2 296.415 -0.345 20 0 CBADLP CNC(=O)C[NH+]1CCC[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001008530621 657047897 /nfs/dbraw/zinc/04/78/97/657047897.db2.gz BEKYWKWLSFNNDU-QWHCGFSZSA-N 2 2 296.415 -0.345 20 0 CBADLP CNC(=O)C[NH+]1CCC[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001008530621 657047902 /nfs/dbraw/zinc/04/79/02/657047902.db2.gz BEKYWKWLSFNNDU-QWHCGFSZSA-N 2 2 296.415 -0.345 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N[C@H]2C[NH2+]CC2(C)C)CC1 ZINC000911519650 657065333 /nfs/dbraw/zinc/06/53/33/657065333.db2.gz CMMQBACBGSCGRY-NSHDSACASA-N 2 2 282.388 -0.735 20 0 CBADLP CC1(C)C[NH2+]C[C@@H]1NC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000911527460 657067620 /nfs/dbraw/zinc/06/76/20/657067620.db2.gz FUTXFDYUSRRBJO-LBPRGKRZSA-N 2 2 294.399 -0.593 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001009227673 657070512 /nfs/dbraw/zinc/07/05/12/657070512.db2.gz VWFRNPJIDZHQAF-NWDGAFQWSA-N 2 2 294.399 -0.463 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001009227673 657070514 /nfs/dbraw/zinc/07/05/14/657070514.db2.gz VWFRNPJIDZHQAF-NWDGAFQWSA-N 2 2 294.399 -0.463 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001009518638 657076439 /nfs/dbraw/zinc/07/64/39/657076439.db2.gz RCMNVTCOZCSODM-OLZOCXBDSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001009518638 657076441 /nfs/dbraw/zinc/07/64/41/657076441.db2.gz RCMNVTCOZCSODM-OLZOCXBDSA-N 2 2 296.415 -0.203 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001009518718 657077039 /nfs/dbraw/zinc/07/70/39/657077039.db2.gz STANCBFGZFZTGA-RYUDHWBXSA-N 2 2 282.388 -0.463 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001009518718 657077043 /nfs/dbraw/zinc/07/70/43/657077043.db2.gz STANCBFGZFZTGA-RYUDHWBXSA-N 2 2 282.388 -0.463 20 0 CBADLP O=C(C[NH+]1CCCC1)N[C@@H]1CCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001009518661 657077353 /nfs/dbraw/zinc/07/73/53/657077353.db2.gz RQRSYLPJFFOAMM-OLZOCXBDSA-N 2 2 294.399 -0.449 20 0 CBADLP O=C(C[NH+]1CCCC1)N[C@@H]1CCC[N@H+]([C@H]2CCNC2=O)C1 ZINC001009518661 657077362 /nfs/dbraw/zinc/07/73/62/657077362.db2.gz RQRSYLPJFFOAMM-OLZOCXBDSA-N 2 2 294.399 -0.449 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)NC[C@H]2CCCCC[NH2+]2)CC1 ZINC000911562341 657079497 /nfs/dbraw/zinc/07/94/97/657079497.db2.gz KPNWLMFSCLGGAJ-CYBMUJFWSA-N 2 2 296.415 -0.201 20 0 CBADLP O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CC[NH2+]CC1 ZINC000911646890 657094954 /nfs/dbraw/zinc/09/49/54/657094954.db2.gz FSPNLOCMGIFOSR-OLZOCXBDSA-N 2 2 283.372 -0.702 20 0 CBADLP CN1CCN(C(=O)C[C@@H]([NH3+])C(F)F)[C@H](C[NH3+])C1 ZINC000911880638 657155574 /nfs/dbraw/zinc/15/55/74/657155574.db2.gz WSLHWWLSTBHPLQ-HTQZYQBOSA-N 2 2 250.293 -0.930 20 0 CBADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCN1CC[NH2+]CC1 ZINC000911696163 657105508 /nfs/dbraw/zinc/10/55/08/657105508.db2.gz RPTFCVFMDUVTCB-NSHDSACASA-N 2 2 265.361 -0.390 20 0 CBADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCN1CC[NH2+]CC1 ZINC000911696163 657105516 /nfs/dbraw/zinc/10/55/16/657105516.db2.gz RPTFCVFMDUVTCB-NSHDSACASA-N 2 2 265.361 -0.390 20 0 CBADLP C[C@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC[NH2+]1 ZINC000911812734 657138458 /nfs/dbraw/zinc/13/84/58/657138458.db2.gz VHFUXAOEHOAQDB-MJBXVCDLSA-N 2 2 297.399 -0.314 20 0 CBADLP CN1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@@H](C[NH3+])C1 ZINC000911874736 657151944 /nfs/dbraw/zinc/15/19/44/657151944.db2.gz DVSBNANNKJOHSL-YPMHNXCESA-N 2 2 277.372 -0.453 20 0 CBADLP CN1CCN(C(=O)C[C@H]([NH3+])C(F)F)[C@@H](C[NH3+])C1 ZINC000911880641 657155144 /nfs/dbraw/zinc/15/51/44/657155144.db2.gz WSLHWWLSTBHPLQ-YUMQZZPRSA-N 2 2 250.293 -0.930 20 0 CBADLP CN1CCN(C(=O)C[C@@H]([NH3+])C(F)F)[C@@H](C[NH3+])C1 ZINC000911880639 657155901 /nfs/dbraw/zinc/15/59/01/657155901.db2.gz WSLHWWLSTBHPLQ-JGVFFNPUSA-N 2 2 250.293 -0.930 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC(=O)N2CCC2)C1 ZINC001010370256 657165077 /nfs/dbraw/zinc/16/50/77/657165077.db2.gz UYOAHEHKMOLGLJ-STQMWFEESA-N 2 2 294.399 -0.497 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC(=O)N2CCC2)C1 ZINC001010370256 657165090 /nfs/dbraw/zinc/16/50/90/657165090.db2.gz UYOAHEHKMOLGLJ-STQMWFEESA-N 2 2 294.399 -0.497 20 0 CBADLP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001010370256 657165107 /nfs/dbraw/zinc/16/51/07/657165107.db2.gz UYOAHEHKMOLGLJ-STQMWFEESA-N 2 2 294.399 -0.497 20 0 CBADLP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001010370256 657165121 /nfs/dbraw/zinc/16/51/21/657165121.db2.gz UYOAHEHKMOLGLJ-STQMWFEESA-N 2 2 294.399 -0.497 20 0 CBADLP C[NH+]1CCC(N(CCO)C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000911938154 657170098 /nfs/dbraw/zinc/17/00/98/657170098.db2.gz DPJQTQAKDZNWRG-CYBMUJFWSA-N 2 2 285.388 -0.768 20 0 CBADLP C[NH+]1CCC(N(CCO)C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000911938154 657170109 /nfs/dbraw/zinc/17/01/09/657170109.db2.gz DPJQTQAKDZNWRG-CYBMUJFWSA-N 2 2 285.388 -0.768 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@]2(C)C[NH+]3CCC2CC3)C1 ZINC000912379288 657241835 /nfs/dbraw/zinc/24/18/35/657241835.db2.gz NGMFJPSZXQKUAZ-TZMCWYRMSA-N 2 2 267.373 -0.083 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N[C@]2(C)C[NH+]3CCC2CC3)C1 ZINC000912379288 657241847 /nfs/dbraw/zinc/24/18/47/657241847.db2.gz NGMFJPSZXQKUAZ-TZMCWYRMSA-N 2 2 267.373 -0.083 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H](O)C(C)(C)O ZINC000912386103 657247226 /nfs/dbraw/zinc/24/72/26/657247226.db2.gz AJVFALYBQDEZTM-LLVKDONJSA-N 2 2 275.393 -0.882 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H](O)C(C)(C)O ZINC000912386103 657247241 /nfs/dbraw/zinc/24/72/41/657247241.db2.gz AJVFALYBQDEZTM-LLVKDONJSA-N 2 2 275.393 -0.882 20 0 CBADLP CN(CC[N@H+](C)CCO)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000912599735 657290213 /nfs/dbraw/zinc/29/02/13/657290213.db2.gz RKROTYQTVYDNML-GFCCVEGCSA-N 2 2 280.372 -0.172 20 0 CBADLP CN(CC[N@@H+](C)CCO)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000912599735 657290221 /nfs/dbraw/zinc/29/02/21/657290221.db2.gz RKROTYQTVYDNML-GFCCVEGCSA-N 2 2 280.372 -0.172 20 0 CBADLP C[N@@H+]1CCN(C(=O)[C@@H]2CC[NH+]2C(C)(C)C)[C@H](CO)C1 ZINC000912736332 657320635 /nfs/dbraw/zinc/32/06/35/657320635.db2.gz SIAXQADNSCGZAD-RYUDHWBXSA-N 2 2 269.389 -0.006 20 0 CBADLP C[N@H+]1CCN(C(=O)[C@@H]2CC[NH+]2C(C)(C)C)[C@H](CO)C1 ZINC000912736332 657320641 /nfs/dbraw/zinc/32/06/41/657320641.db2.gz SIAXQADNSCGZAD-RYUDHWBXSA-N 2 2 269.389 -0.006 20 0 CBADLP C[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)[C@H](CO)C1 ZINC000912736332 657320646 /nfs/dbraw/zinc/32/06/46/657320646.db2.gz SIAXQADNSCGZAD-RYUDHWBXSA-N 2 2 269.389 -0.006 20 0 CBADLP C[NH+]1CCN(C(=O)[C@@H]2CC[N@H+]2C(C)(C)C)[C@H](CO)C1 ZINC000912736332 657320650 /nfs/dbraw/zinc/32/06/50/657320650.db2.gz SIAXQADNSCGZAD-RYUDHWBXSA-N 2 2 269.389 -0.006 20 0 CBADLP C[N@H+](CC(=O)N1CC[NH+](C)C[C@@H]1CO)[C@@H]1CCSC1 ZINC000912741332 657334113 /nfs/dbraw/zinc/33/41/13/657334113.db2.gz SFNDUTGWLSRHHZ-VXGBXAGGSA-N 2 2 287.429 -0.441 20 0 CBADLP C[N@@H+](CC(=O)N1CC[NH+](C)C[C@@H]1CO)[C@@H]1CCSC1 ZINC000912741332 657334122 /nfs/dbraw/zinc/33/41/22/657334122.db2.gz SFNDUTGWLSRHHZ-VXGBXAGGSA-N 2 2 287.429 -0.441 20 0 CBADLP C[NH+](CC(=O)N1CC[N@H+](C)C[C@@H]1CO)[C@@H]1CCSC1 ZINC000912741332 657334131 /nfs/dbraw/zinc/33/41/31/657334131.db2.gz SFNDUTGWLSRHHZ-VXGBXAGGSA-N 2 2 287.429 -0.441 20 0 CBADLP C[NH+](CC(=O)N1CC[N@@H+](C)C[C@@H]1CO)[C@@H]1CCSC1 ZINC000912741332 657334139 /nfs/dbraw/zinc/33/41/39/657334139.db2.gz SFNDUTGWLSRHHZ-VXGBXAGGSA-N 2 2 287.429 -0.441 20 0 CBADLP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CC[NH+](C)C[C@@H]1CO ZINC000912743107 657334446 /nfs/dbraw/zinc/33/44/46/657334446.db2.gz PGQPACAADKKHTB-FRRDWIJNSA-N 2 2 269.389 -0.006 20 0 CBADLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CC[NH+](C)C[C@@H]1CO ZINC000912743107 657334448 /nfs/dbraw/zinc/33/44/48/657334448.db2.gz PGQPACAADKKHTB-FRRDWIJNSA-N 2 2 269.389 -0.006 20 0 CBADLP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000912743107 657334450 /nfs/dbraw/zinc/33/44/50/657334450.db2.gz PGQPACAADKKHTB-FRRDWIJNSA-N 2 2 269.389 -0.006 20 0 CBADLP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000912743107 657334455 /nfs/dbraw/zinc/33/44/55/657334455.db2.gz PGQPACAADKKHTB-FRRDWIJNSA-N 2 2 269.389 -0.006 20 0 CBADLP CC1CC[NH+](CC(=O)N2CC[N@H+](C)C[C@@H]2CO)CC1 ZINC000912742563 657334954 /nfs/dbraw/zinc/33/49/54/657334954.db2.gz BQUUWNTUGJQNID-CYBMUJFWSA-N 2 2 269.389 -0.147 20 0 CBADLP CC1CC[NH+](CC(=O)N2CC[N@@H+](C)C[C@@H]2CO)CC1 ZINC000912742563 657334956 /nfs/dbraw/zinc/33/49/56/657334956.db2.gz BQUUWNTUGJQNID-CYBMUJFWSA-N 2 2 269.389 -0.147 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)NC(C)(C)CC[NH+]2CCOCC2)C1 ZINC000912951993 657360728 /nfs/dbraw/zinc/36/07/28/657360728.db2.gz GRCJUDQVKIRSCP-CYBMUJFWSA-N 2 2 299.415 -0.066 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)NC(C)(C)CC[NH+]2CCOCC2)C1 ZINC000912951993 657360731 /nfs/dbraw/zinc/36/07/31/657360731.db2.gz GRCJUDQVKIRSCP-CYBMUJFWSA-N 2 2 299.415 -0.066 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001014456251 657360922 /nfs/dbraw/zinc/36/09/22/657360922.db2.gz NSYTUBPYMWBYKZ-OLZOCXBDSA-N 2 2 294.399 -0.735 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001014456251 657360926 /nfs/dbraw/zinc/36/09/26/657360926.db2.gz NSYTUBPYMWBYKZ-OLZOCXBDSA-N 2 2 294.399 -0.735 20 0 CBADLP NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001014462427 657361336 /nfs/dbraw/zinc/36/13/36/657361336.db2.gz DCTDOKSPZPSVKY-VXGBXAGGSA-N 2 2 280.372 -0.996 20 0 CBADLP NC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001014462427 657361346 /nfs/dbraw/zinc/36/13/46/657361346.db2.gz DCTDOKSPZPSVKY-VXGBXAGGSA-N 2 2 280.372 -0.996 20 0 CBADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@@H]1CC[N@@H+](CCO)C1 ZINC001014498777 657363785 /nfs/dbraw/zinc/36/37/85/657363785.db2.gz UWDFUSNYMVGOAW-GFCCVEGCSA-N 2 2 292.383 -0.055 20 0 CBADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@@H]1CC[N@H+](CCO)C1 ZINC001014498777 657363788 /nfs/dbraw/zinc/36/37/88/657363788.db2.gz UWDFUSNYMVGOAW-GFCCVEGCSA-N 2 2 292.383 -0.055 20 0 CBADLP C/C(=C\C(=O)NCC[N@@H+]1CC[C@@H](O)C1)C[NH+]1CCOCC1 ZINC000913172037 657393100 /nfs/dbraw/zinc/39/31/00/657393100.db2.gz TXIBKNXXBRQWTI-JWAFFJSPSA-N 2 2 297.399 -0.552 20 0 CBADLP C/C(=C\C(=O)NCC[N@H+]1CC[C@@H](O)C1)C[NH+]1CCOCC1 ZINC000913172037 657393108 /nfs/dbraw/zinc/39/31/08/657393108.db2.gz TXIBKNXXBRQWTI-JWAFFJSPSA-N 2 2 297.399 -0.552 20 0 CBADLP CC(C)c1[nH+]ccn1CC(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC000913178508 657394029 /nfs/dbraw/zinc/39/40/29/657394029.db2.gz HHHXIUTXVQFZFS-CQSZACIVSA-N 2 2 296.371 -0.526 20 0 CBADLP CC(C)c1[nH+]ccn1CC(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC000913178507 657395227 /nfs/dbraw/zinc/39/52/27/657395227.db2.gz HHHXIUTXVQFZFS-AWEZNQCLSA-N 2 2 296.371 -0.526 20 0 CBADLP O=C(N[C@@H]1CC[N@@H+](CCO)C1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001014999874 657396994 /nfs/dbraw/zinc/39/69/94/657396994.db2.gz MDZSDLJTPYWTMQ-VXGBXAGGSA-N 2 2 278.356 -0.372 20 0 CBADLP O=C(N[C@@H]1CC[N@H+](CCO)C1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001014999874 657396995 /nfs/dbraw/zinc/39/69/95/657396995.db2.gz MDZSDLJTPYWTMQ-VXGBXAGGSA-N 2 2 278.356 -0.372 20 0 CBADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2CC[N@H+](CCO)C2)no1 ZINC001015029054 657398679 /nfs/dbraw/zinc/39/86/79/657398679.db2.gz ULWAUXVPMSVUDP-SNVBAGLBSA-N 2 2 282.344 -0.467 20 0 CBADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2CC[N@@H+](CCO)C2)no1 ZINC001015029054 657398686 /nfs/dbraw/zinc/39/86/86/657398686.db2.gz ULWAUXVPMSVUDP-SNVBAGLBSA-N 2 2 282.344 -0.467 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001015089824 657406571 /nfs/dbraw/zinc/40/65/71/657406571.db2.gz NEEMOQOSRYOLOQ-VXGBXAGGSA-N 2 2 294.399 -0.321 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001015089824 657406576 /nfs/dbraw/zinc/40/65/76/657406576.db2.gz NEEMOQOSRYOLOQ-VXGBXAGGSA-N 2 2 294.399 -0.321 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)C)C1 ZINC001015293511 657431579 /nfs/dbraw/zinc/43/15/79/657431579.db2.gz JGNUVJJGHHUJAI-GFCCVEGCSA-N 2 2 293.371 -0.530 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)C)C1 ZINC001015293511 657431583 /nfs/dbraw/zinc/43/15/83/657431583.db2.gz JGNUVJJGHHUJAI-GFCCVEGCSA-N 2 2 293.371 -0.530 20 0 CBADLP C/C(=C/C(=O)NCC[N@@H+]1CC[C@H](O)C1)C[NH+]1CCOCC1 ZINC000913352386 657444327 /nfs/dbraw/zinc/44/43/27/657444327.db2.gz TXIBKNXXBRQWTI-ZVHGMHCTSA-N 2 2 297.399 -0.552 20 0 CBADLP C/C(=C/C(=O)NCC[N@H+]1CC[C@H](O)C1)C[NH+]1CCOCC1 ZINC000913352386 657444329 /nfs/dbraw/zinc/44/43/29/657444329.db2.gz TXIBKNXXBRQWTI-ZVHGMHCTSA-N 2 2 297.399 -0.552 20 0 CBADLP Cn1cc([C@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC[NH2+]2)cn1 ZINC000913455870 657456569 /nfs/dbraw/zinc/45/65/69/657456569.db2.gz KIGAZQPCLRIXHX-CYBMUJFWSA-N 2 2 289.383 -0.011 20 0 CBADLP CN(C[C@@H]1C[N@H+](C)CCO1)C(=O)[C@@]1(C)C[C@@H](O)C[NH+]1C ZINC000913507875 657482384 /nfs/dbraw/zinc/48/23/84/657482384.db2.gz UJHLMARZVHSLNC-MBNYWOFBSA-N 2 2 285.388 -0.770 20 0 CBADLP CN(C[C@@H]1C[N@@H+](C)CCO1)C(=O)[C@@]1(C)C[C@@H](O)C[NH+]1C ZINC000913507875 657482394 /nfs/dbraw/zinc/48/23/94/657482394.db2.gz UJHLMARZVHSLNC-MBNYWOFBSA-N 2 2 285.388 -0.770 20 0 CBADLP CN(C[C@@H]1C[NH+](C)CCO1)C(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000913507875 657482407 /nfs/dbraw/zinc/48/24/07/657482407.db2.gz UJHLMARZVHSLNC-MBNYWOFBSA-N 2 2 285.388 -0.770 20 0 CBADLP CN(C[C@@H]1C[NH+](C)CCO1)C(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC000913507875 657482421 /nfs/dbraw/zinc/48/24/21/657482421.db2.gz UJHLMARZVHSLNC-MBNYWOFBSA-N 2 2 285.388 -0.770 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001015649106 657505320 /nfs/dbraw/zinc/50/53/20/657505320.db2.gz OSZBJDRSRDLALU-LBPRGKRZSA-N 2 2 282.388 -0.735 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001015649106 657505325 /nfs/dbraw/zinc/50/53/25/657505325.db2.gz OSZBJDRSRDLALU-LBPRGKRZSA-N 2 2 282.388 -0.735 20 0 CBADLP C[NH+](C)CC1(C(=O)N2CC[N@H+](C)[C@@H](CO)C2)CC1 ZINC000913541993 657505434 /nfs/dbraw/zinc/50/54/34/657505434.db2.gz ZTNIJLKDWWMQET-LLVKDONJSA-N 2 2 255.362 -0.537 20 0 CBADLP C[NH+](C)CC1(C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)CC1 ZINC000913541993 657505439 /nfs/dbraw/zinc/50/54/39/657505439.db2.gz ZTNIJLKDWWMQET-LLVKDONJSA-N 2 2 255.362 -0.537 20 0 CBADLP C[NH+](C)CCn1ccc(C(=O)N2CC[N@H+](C)[C@H](CO)C2)n1 ZINC000913541766 657505450 /nfs/dbraw/zinc/50/54/50/657505450.db2.gz UWJNILJGDMPEMC-LBPRGKRZSA-N 2 2 295.387 -0.807 20 0 CBADLP C[NH+](C)CCn1ccc(C(=O)N2CC[N@@H+](C)[C@H](CO)C2)n1 ZINC000913541766 657505463 /nfs/dbraw/zinc/50/54/63/657505463.db2.gz UWJNILJGDMPEMC-LBPRGKRZSA-N 2 2 295.387 -0.807 20 0 CBADLP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1CC[NH+](CC(=O)N(C)C)C1 ZINC001015702735 657519958 /nfs/dbraw/zinc/51/99/58/657519958.db2.gz SMLPYQGBTLCDED-OLZOCXBDSA-N 2 2 296.415 -0.251 20 0 CBADLP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CC[NH+](CC(=O)N(C)C)C1 ZINC001015702735 657519967 /nfs/dbraw/zinc/51/99/67/657519967.db2.gz SMLPYQGBTLCDED-OLZOCXBDSA-N 2 2 296.415 -0.251 20 0 CBADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CC[N@H+](CC(=O)N(C)C)C1 ZINC001015702735 657519972 /nfs/dbraw/zinc/51/99/72/657519972.db2.gz SMLPYQGBTLCDED-OLZOCXBDSA-N 2 2 296.415 -0.251 20 0 CBADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C)C1 ZINC001015702735 657519979 /nfs/dbraw/zinc/51/99/79/657519979.db2.gz SMLPYQGBTLCDED-OLZOCXBDSA-N 2 2 296.415 -0.251 20 0 CBADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CC[N@H+](CCO)C1 ZINC001015721166 657529802 /nfs/dbraw/zinc/52/98/02/657529802.db2.gz CWYBMFULXHTMPD-IJLUTSLNSA-N 2 2 278.356 -0.294 20 0 CBADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCO)C1 ZINC001015721166 657529810 /nfs/dbraw/zinc/52/98/10/657529810.db2.gz CWYBMFULXHTMPD-IJLUTSLNSA-N 2 2 278.356 -0.294 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](CCCCCO)CC2)C1 ZINC000913692104 657583984 /nfs/dbraw/zinc/58/39/84/657583984.db2.gz XFXJPTGEZDEDMF-AWEZNQCLSA-N 2 2 299.415 -0.376 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N2CC[NH+](CCCCCO)CC2)C1 ZINC000913692104 657583995 /nfs/dbraw/zinc/58/39/95/657583995.db2.gz XFXJPTGEZDEDMF-AWEZNQCLSA-N 2 2 299.415 -0.376 20 0 CBADLP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)CC1 ZINC001015930786 657612272 /nfs/dbraw/zinc/61/22/72/657612272.db2.gz VIHNDHKRFRUFPS-CYBMUJFWSA-N 2 2 296.415 -0.217 20 0 CBADLP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)CC1 ZINC001015930786 657612282 /nfs/dbraw/zinc/61/22/82/657612282.db2.gz VIHNDHKRFRUFPS-CYBMUJFWSA-N 2 2 296.415 -0.217 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001016000928 657627285 /nfs/dbraw/zinc/62/72/85/657627285.db2.gz GOKOSPCGWIILSC-PWSUYJOCSA-N 2 2 293.371 -0.583 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001016000928 657627287 /nfs/dbraw/zinc/62/72/87/657627287.db2.gz GOKOSPCGWIILSC-PWSUYJOCSA-N 2 2 293.371 -0.583 20 0 CBADLP C[C@@H](O)C[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001015995901 657628461 /nfs/dbraw/zinc/62/84/61/657628461.db2.gz BLMSALXWRJLXML-GHMZBOCLSA-N 2 2 266.345 -0.466 20 0 CBADLP C[C@H](O)C[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001015995905 657628327 /nfs/dbraw/zinc/62/83/27/657628327.db2.gz BLMSALXWRJLXML-WDEREUQCSA-N 2 2 266.345 -0.466 20 0 CBADLP C[C@H](O)C[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001015995905 657628333 /nfs/dbraw/zinc/62/83/33/657628333.db2.gz BLMSALXWRJLXML-WDEREUQCSA-N 2 2 266.345 -0.466 20 0 CBADLP C[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001015995901 657628465 /nfs/dbraw/zinc/62/84/65/657628465.db2.gz BLMSALXWRJLXML-GHMZBOCLSA-N 2 2 266.345 -0.466 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@@H+](C[C@H](C)O)C1 ZINC001016106141 657637326 /nfs/dbraw/zinc/63/73/26/657637326.db2.gz JMCMBEXCHDRJTD-GXSJLCMTSA-N 2 2 266.345 -0.168 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@H+](C[C@H](C)O)C1 ZINC001016106141 657637334 /nfs/dbraw/zinc/63/73/34/657637334.db2.gz JMCMBEXCHDRJTD-GXSJLCMTSA-N 2 2 266.345 -0.168 20 0 CBADLP C[N@@H+]1CC[C@H]1CNC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000914064320 657652058 /nfs/dbraw/zinc/65/20/58/657652058.db2.gz KKZLQFLZQLMBPS-LBPRGKRZSA-N 2 2 297.403 -0.846 20 0 CBADLP C[N@H+]1CC[C@H]1CNC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000914064320 657652069 /nfs/dbraw/zinc/65/20/69/657652069.db2.gz KKZLQFLZQLMBPS-LBPRGKRZSA-N 2 2 297.403 -0.846 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000914083025 657655351 /nfs/dbraw/zinc/65/53/51/657655351.db2.gz NDLPOZXYJGUMRL-RYUDHWBXSA-N 2 2 270.377 -0.290 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H]1CC[N@H+]1C ZINC000914083025 657655361 /nfs/dbraw/zinc/65/53/61/657655361.db2.gz NDLPOZXYJGUMRL-RYUDHWBXSA-N 2 2 270.377 -0.290 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@H]1CC[N@@H+]1C ZINC000914083026 657656049 /nfs/dbraw/zinc/65/60/49/657656049.db2.gz NDLPOZXYJGUMRL-VXGBXAGGSA-N 2 2 270.377 -0.290 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@H]1CC[N@H+]1C ZINC000914083026 657656056 /nfs/dbraw/zinc/65/60/56/657656056.db2.gz NDLPOZXYJGUMRL-VXGBXAGGSA-N 2 2 270.377 -0.290 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001016252829 657668812 /nfs/dbraw/zinc/66/88/12/657668812.db2.gz VEBUBVTXHJMYNH-NEPJUHHUSA-N 2 2 282.388 -0.593 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001016252829 657668842 /nfs/dbraw/zinc/66/88/42/657668842.db2.gz VEBUBVTXHJMYNH-NEPJUHHUSA-N 2 2 282.388 -0.593 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001016258982 657673113 /nfs/dbraw/zinc/67/31/13/657673113.db2.gz BMIWITOLZSHDQC-LLVKDONJSA-N 2 2 279.344 -0.872 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001016258982 657673141 /nfs/dbraw/zinc/67/31/41/657673141.db2.gz BMIWITOLZSHDQC-LLVKDONJSA-N 2 2 279.344 -0.872 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC001016397320 657696182 /nfs/dbraw/zinc/69/61/82/657696182.db2.gz JRUYWZWRFDWALM-NEPJUHHUSA-N 2 2 291.355 -0.648 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001016397320 657696196 /nfs/dbraw/zinc/69/61/96/657696196.db2.gz JRUYWZWRFDWALM-NEPJUHHUSA-N 2 2 291.355 -0.648 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=S)NCC[NH+](C)C ZINC000916004669 657757432 /nfs/dbraw/zinc/75/74/32/657757432.db2.gz RFKITUOUZORNIC-LLVKDONJSA-N 2 2 274.434 -0.267 20 0 CBADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@H]1CC[N@@H+]1C ZINC000917224745 657803414 /nfs/dbraw/zinc/80/34/14/657803414.db2.gz UKQABGPFXFZZPW-QWHCGFSZSA-N 2 2 283.420 -0.374 20 0 CBADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@H]1CC[N@H+]1C ZINC000917224745 657803420 /nfs/dbraw/zinc/80/34/20/657803420.db2.gz UKQABGPFXFZZPW-QWHCGFSZSA-N 2 2 283.420 -0.374 20 0 CBADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NC[C@H]1CC[N@H+]1C ZINC000917224745 657803426 /nfs/dbraw/zinc/80/34/26/657803426.db2.gz UKQABGPFXFZZPW-QWHCGFSZSA-N 2 2 283.420 -0.374 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]CCF)C2)C1 ZINC001018665316 657836979 /nfs/dbraw/zinc/83/69/79/657836979.db2.gz PVTQBTUBKPNIHL-QWRGUYRKSA-N 2 2 259.325 -0.523 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]CCF)C2)C1 ZINC001018665316 657836981 /nfs/dbraw/zinc/83/69/81/657836981.db2.gz PVTQBTUBKPNIHL-QWRGUYRKSA-N 2 2 259.325 -0.523 20 0 CBADLP CC[N@@H+]1CCO[C@H](CNC(=O)NC[C@H]2CC[NH+]2C)C1 ZINC000919128298 657844647 /nfs/dbraw/zinc/84/46/47/657844647.db2.gz WAWNUXOQHNKLFV-VXGBXAGGSA-N 2 2 270.377 -0.290 20 0 CBADLP CC[N@H+]1CCO[C@H](CNC(=O)NC[C@H]2CC[NH+]2C)C1 ZINC000919128298 657844650 /nfs/dbraw/zinc/84/46/50/657844650.db2.gz WAWNUXOQHNKLFV-VXGBXAGGSA-N 2 2 270.377 -0.290 20 0 CBADLP CC[NH+]1CCO[C@H](CNC(=O)NC[C@H]2CC[N@@H+]2C)C1 ZINC000919128298 657844651 /nfs/dbraw/zinc/84/46/51/657844651.db2.gz WAWNUXOQHNKLFV-VXGBXAGGSA-N 2 2 270.377 -0.290 20 0 CBADLP CC[NH+]1CCO[C@H](CNC(=O)NC[C@H]2CC[N@H+]2C)C1 ZINC000919128298 657844655 /nfs/dbraw/zinc/84/46/55/657844655.db2.gz WAWNUXOQHNKLFV-VXGBXAGGSA-N 2 2 270.377 -0.290 20 0 CBADLP NC(=O)C[NH2+][C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001018782679 657844808 /nfs/dbraw/zinc/84/48/08/657844808.db2.gz CRLCROXUPYYXTE-VIFPVBQESA-N 2 2 265.317 -0.982 20 0 CBADLP C[C@@H](O)C[NH2+][C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001018783996 657845229 /nfs/dbraw/zinc/84/52/29/657845229.db2.gz ZEWCEQKIVKQJTI-MNOVXSKESA-N 2 2 266.345 -0.086 20 0 CBADLP C[C@H]([NH2+][C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1)C(N)=O ZINC001018782914 657845276 /nfs/dbraw/zinc/84/52/76/657845276.db2.gz FLMFXBWVHBHUGG-UWVGGRQHSA-N 2 2 279.344 -0.593 20 0 CBADLP NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001019060742 657860896 /nfs/dbraw/zinc/86/08/96/657860896.db2.gz DZKMFYBBUSUYGG-MNOVXSKESA-N 2 2 291.355 -0.879 20 0 CBADLP O=C(CCn1cc[nH+]c1)N1CC[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001019212899 657870582 /nfs/dbraw/zinc/87/05/82/657870582.db2.gz SQWWLFYKNVWIGV-NWDGAFQWSA-N 2 2 291.355 -0.648 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccon3)C2)C1 ZINC001020046088 657998504 /nfs/dbraw/zinc/99/85/04/657998504.db2.gz TXRAZVIYFLTRPK-JHJVBQTASA-N 2 2 294.355 -0.258 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccon3)C2)C1 ZINC001020046088 657998519 /nfs/dbraw/zinc/99/85/19/657998519.db2.gz TXRAZVIYFLTRPK-JHJVBQTASA-N 2 2 294.355 -0.258 20 0 CBADLP CC[N@@H+]1CC[C@@H]1CNC(=O)[C@]1(C)C[C@@H](O)C[NH+]1C ZINC000922161172 658013659 /nfs/dbraw/zinc/01/36/59/658013659.db2.gz UFHFQDHOFRYGHK-WZRBSPASSA-N 2 2 255.362 -0.348 20 0 CBADLP CC[N@H+]1CC[C@@H]1CNC(=O)[C@]1(C)C[C@@H](O)C[NH+]1C ZINC000922161172 658013676 /nfs/dbraw/zinc/01/36/76/658013676.db2.gz UFHFQDHOFRYGHK-WZRBSPASSA-N 2 2 255.362 -0.348 20 0 CBADLP CC[NH+]1CC[C@@H]1CNC(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000922161172 658013682 /nfs/dbraw/zinc/01/36/82/658013682.db2.gz UFHFQDHOFRYGHK-WZRBSPASSA-N 2 2 255.362 -0.348 20 0 CBADLP CC[NH+]1CC[C@@H]1CNC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC000922161172 658013688 /nfs/dbraw/zinc/01/36/88/658013688.db2.gz UFHFQDHOFRYGHK-WZRBSPASSA-N 2 2 255.362 -0.348 20 0 CBADLP NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001020312891 658037446 /nfs/dbraw/zinc/03/74/46/658037446.db2.gz XJBIAURIQONLLU-GMTAPVOTSA-N 2 2 291.355 -0.832 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001020980854 658122821 /nfs/dbraw/zinc/12/28/21/658122821.db2.gz UJUOXWGKHOMDTE-GMTAPVOTSA-N 2 2 291.355 -0.614 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001020980853 658123240 /nfs/dbraw/zinc/12/32/40/658123240.db2.gz UJUOXWGKHOMDTE-DCAQKATOSA-N 2 2 291.355 -0.614 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001021126414 658153730 /nfs/dbraw/zinc/15/37/30/658153730.db2.gz OKCBWBDOLINKHZ-SRVKXCTJSA-N 2 2 291.355 -0.602 20 0 CBADLP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CCO[C@H]([C@@H]3CCCO3)C2)C1 ZINC000923318137 658207477 /nfs/dbraw/zinc/20/74/77/658207477.db2.gz IHSWWSVNEDOHPQ-VLJOUNFMSA-N 2 2 256.346 -0.283 20 0 CBADLP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CCO[C@H]([C@@H]3CCCO3)C2)C1 ZINC000923318137 658207491 /nfs/dbraw/zinc/20/74/91/658207491.db2.gz IHSWWSVNEDOHPQ-VLJOUNFMSA-N 2 2 256.346 -0.283 20 0 CBADLP CN(C)C(=O)C[NH+]1CCN(CCC[NH2+]C2CC2)CC1 ZINC000923317369 658208568 /nfs/dbraw/zinc/20/85/68/658208568.db2.gz FIJPSTRQSADNRW-UHFFFAOYSA-N 2 2 268.405 -0.166 20 0 CBADLP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CCO[C@@H]([C@H]3CCCO3)C2)C1 ZINC000923318112 658210145 /nfs/dbraw/zinc/21/01/45/658210145.db2.gz IHSWWSVNEDOHPQ-JZRPKSSGSA-N 2 2 256.346 -0.283 20 0 CBADLP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CCO[C@@H]([C@H]3CCCO3)C2)C1 ZINC000923318112 658210170 /nfs/dbraw/zinc/21/01/70/658210170.db2.gz IHSWWSVNEDOHPQ-JZRPKSSGSA-N 2 2 256.346 -0.283 20 0 CBADLP CSC[C@@H](O)C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000923334308 658222734 /nfs/dbraw/zinc/22/27/34/658222734.db2.gz WGJGEFFTJUIMRJ-NEPJUHHUSA-N 2 2 287.429 -0.394 20 0 CBADLP CSC[C@@H](O)C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000923334308 658222743 /nfs/dbraw/zinc/22/27/43/658222743.db2.gz WGJGEFFTJUIMRJ-NEPJUHHUSA-N 2 2 287.429 -0.394 20 0 CBADLP CN1CC(=O)N(CC[N@H+](C)[C@H](C[NH3+])C2CC2)C1=O ZINC000923358286 658230461 /nfs/dbraw/zinc/23/04/61/658230461.db2.gz YCLQZVXIGRBXMP-SNVBAGLBSA-N 2 2 254.334 -0.451 20 0 CBADLP CN1CC(=O)N(CC[N@@H+](C)[C@H](C[NH3+])C2CC2)C1=O ZINC000923358286 658230487 /nfs/dbraw/zinc/23/04/87/658230487.db2.gz YCLQZVXIGRBXMP-SNVBAGLBSA-N 2 2 254.334 -0.451 20 0 CBADLP CO[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)[C@](C)(C[NH3+])C1 ZINC000923412622 658269993 /nfs/dbraw/zinc/26/99/93/658269993.db2.gz RUKGNYDRAHJCMC-AVGNSLFASA-N 2 2 268.361 -0.318 20 0 CBADLP CO[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)[C@](C)(C[NH3+])C1 ZINC000923412622 658269999 /nfs/dbraw/zinc/26/99/99/658269999.db2.gz RUKGNYDRAHJCMC-AVGNSLFASA-N 2 2 268.361 -0.318 20 0 CBADLP [NH3+]C[C@H]1CCC[N@@H+]1C[C@H](O)COC[C@@H]1CCCO1 ZINC000923426435 658274467 /nfs/dbraw/zinc/27/44/67/658274467.db2.gz DRVRNLICTDMSKX-AGIUHOORSA-N 2 2 258.362 -0.034 20 0 CBADLP [NH3+]C[C@H]1CCC[N@H+]1C[C@H](O)COC[C@@H]1CCCO1 ZINC000923426435 658274486 /nfs/dbraw/zinc/27/44/86/658274486.db2.gz DRVRNLICTDMSKX-AGIUHOORSA-N 2 2 258.362 -0.034 20 0 CBADLP CC[C@@H]1C[C@H]1C[NH+]1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923437563 658280915 /nfs/dbraw/zinc/28/09/15/658280915.db2.gz UMHSAQHSAATIMP-NEPJUHHUSA-N 2 2 287.429 -0.048 20 0 CBADLP CCc1nc([C@H](C)N2CC[NH2+]CC[NH2+]CC2)n[nH]1 ZINC000923460826 658292462 /nfs/dbraw/zinc/29/24/62/658292462.db2.gz WLBMGEBBJPMPJE-JTQLQIEISA-N 2 2 252.366 -0.077 20 0 CBADLP [NH3+][C@@]1(CO)CCC[N@H+](C[C@H](O)Cn2cccn2)C1 ZINC000923474277 658301265 /nfs/dbraw/zinc/30/12/65/658301265.db2.gz ZUGDLCXYSWSSDG-RYUDHWBXSA-N 2 2 254.334 -0.970 20 0 CBADLP [NH3+][C@@]1(CO)CCC[N@@H+](C[C@H](O)Cn2cccn2)C1 ZINC000923474277 658301267 /nfs/dbraw/zinc/30/12/67/658301267.db2.gz ZUGDLCXYSWSSDG-RYUDHWBXSA-N 2 2 254.334 -0.970 20 0 CBADLP CCS(=O)(=O)NCC[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923517484 658313301 /nfs/dbraw/zinc/31/33/01/658313301.db2.gz CYKJARGOYPTGNA-WDEREUQCSA-N 2 2 261.391 -0.533 20 0 CBADLP CCS(=O)(=O)NCC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923517484 658313311 /nfs/dbraw/zinc/31/33/11/658313311.db2.gz CYKJARGOYPTGNA-WDEREUQCSA-N 2 2 261.391 -0.533 20 0 CBADLP COCC(C)(C)[NH+]1CCN(S(=O)(=O)C2C[NH2+]C2)CC1 ZINC000923650483 658377235 /nfs/dbraw/zinc/37/72/35/658377235.db2.gz OCGSKVHYXKOTTG-UHFFFAOYSA-N 2 2 291.417 -0.669 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@@H]1COC(=O)C1 ZINC000923756807 658458372 /nfs/dbraw/zinc/45/83/72/658458372.db2.gz RADMEKVQKDNPLG-NSHDSACASA-N 2 2 286.376 -0.515 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@@H]1COC(=O)C1 ZINC000923756807 658458392 /nfs/dbraw/zinc/45/83/92/658458392.db2.gz RADMEKVQKDNPLG-NSHDSACASA-N 2 2 286.376 -0.515 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NC[C@H]1COCO1 ZINC000923841473 658513662 /nfs/dbraw/zinc/51/36/62/658513662.db2.gz YAJULIWVQHVFJJ-LBPRGKRZSA-N 2 2 288.392 -0.458 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NC[C@H]1COCO1 ZINC000923841473 658513680 /nfs/dbraw/zinc/51/36/80/658513680.db2.gz YAJULIWVQHVFJJ-LBPRGKRZSA-N 2 2 288.392 -0.458 20 0 CBADLP C[NH+](C)C[C@H]1NC(=O)N(CCCn2cc[nH+]c2)C1=O ZINC000924431161 658598036 /nfs/dbraw/zinc/59/80/36/658598036.db2.gz ZKVFHPKBPOMFHC-SNVBAGLBSA-N 2 2 265.317 -0.245 20 0 CBADLP C[C@H]([C@@H]1C[N@H+](C)CCO1)N1C(=O)N[C@H](C[NH+](C)C)C1=O ZINC000924805314 658638044 /nfs/dbraw/zinc/63/80/44/658638044.db2.gz JTVUWXDGSXPMGI-MXWKQRLJSA-N 2 2 284.360 -0.813 20 0 CBADLP C[C@H]([C@@H]1C[N@@H+](C)CCO1)N1C(=O)N[C@H](C[NH+](C)C)C1=O ZINC000924805314 658638050 /nfs/dbraw/zinc/63/80/50/658638050.db2.gz JTVUWXDGSXPMGI-MXWKQRLJSA-N 2 2 284.360 -0.813 20 0 CBADLP C[C@H]([C@@H]1C[N@H+](C)CCO1)N1C(=O)N[C@@H](C[NH+](C)C)C1=O ZINC000924805316 658639135 /nfs/dbraw/zinc/63/91/35/658639135.db2.gz JTVUWXDGSXPMGI-VWYCJHECSA-N 2 2 284.360 -0.813 20 0 CBADLP C[C@H]([C@@H]1C[N@@H+](C)CCO1)N1C(=O)N[C@@H](C[NH+](C)C)C1=O ZINC000924805316 658639141 /nfs/dbraw/zinc/63/91/41/658639141.db2.gz JTVUWXDGSXPMGI-VWYCJHECSA-N 2 2 284.360 -0.813 20 0 CBADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccnnc1 ZINC000924840138 658644406 /nfs/dbraw/zinc/64/44/06/658644406.db2.gz SCGMYHCXXDOVGO-LLVKDONJSA-N 2 2 263.345 -0.099 20 0 CBADLP C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000924841556 658644571 /nfs/dbraw/zinc/64/45/71/658644571.db2.gz KEAGVJMNNJIWOX-NEPJUHHUSA-N 2 2 282.388 -0.593 20 0 CBADLP CC1(C)CNC(=O)[C@@H]1[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000924967700 658675902 /nfs/dbraw/zinc/67/59/02/658675902.db2.gz YFQWWBOJOUHFJG-TUAOUCFPSA-N 2 2 267.373 -0.036 20 0 CBADLP CC1(C)CNC(=O)[C@@H]1[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000924967700 658675913 /nfs/dbraw/zinc/67/59/13/658675913.db2.gz YFQWWBOJOUHFJG-TUAOUCFPSA-N 2 2 267.373 -0.036 20 0 CBADLP C[N@@H+]1C[C@@H](O)C[C@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000924978634 658684518 /nfs/dbraw/zinc/68/45/18/658684518.db2.gz YKXQFRIOJGCRMT-STQMWFEESA-N 2 2 292.383 -0.057 20 0 CBADLP C[N@H+]1C[C@@H](O)C[C@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000924978634 658684539 /nfs/dbraw/zinc/68/45/39/658684539.db2.gz YKXQFRIOJGCRMT-STQMWFEESA-N 2 2 292.383 -0.057 20 0 CBADLP C[N@H+](CCO)CCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000924997143 658723390 /nfs/dbraw/zinc/72/33/90/658723390.db2.gz AVHHTOFQDWOIFF-UHFFFAOYSA-N 2 2 280.372 -0.198 20 0 CBADLP C[N@@H+](CCO)CCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000924997143 658723394 /nfs/dbraw/zinc/72/33/94/658723394.db2.gz AVHHTOFQDWOIFF-UHFFFAOYSA-N 2 2 280.372 -0.198 20 0 CBADLP O=C(N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000961738022 658832728 /nfs/dbraw/zinc/83/27/28/658832728.db2.gz RXYDABYJEQKLRQ-MEWQQHAOSA-N 2 2 290.367 -0.132 20 0 CBADLP O=C(N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000961738022 658832733 /nfs/dbraw/zinc/83/27/33/658832733.db2.gz RXYDABYJEQKLRQ-MEWQQHAOSA-N 2 2 290.367 -0.132 20 0 CBADLP C[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH]c[nH+]1 ZINC000961893582 658837050 /nfs/dbraw/zinc/83/70/50/658837050.db2.gz CDWVCIXQJCVZLT-MVVXRAEJSA-N 2 2 264.329 -0.621 20 0 CBADLP C[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH]c[nH+]1 ZINC000961893582 658837054 /nfs/dbraw/zinc/83/70/54/658837054.db2.gz CDWVCIXQJCVZLT-MVVXRAEJSA-N 2 2 264.329 -0.621 20 0 CBADLP C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@H]2CC[NH+]2C)C[C@@H]1C ZINC000925415972 658842340 /nfs/dbraw/zinc/84/23/40/658842340.db2.gz BGHOZBXTRLULRW-RWMBFGLXSA-N 2 2 284.404 -0.213 20 0 CBADLP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@H]2CC[NH+]2C)C[C@@H]1C ZINC000925415972 658842344 /nfs/dbraw/zinc/84/23/44/658842344.db2.gz BGHOZBXTRLULRW-RWMBFGLXSA-N 2 2 284.404 -0.213 20 0 CBADLP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@H]2CC[N@@H+]2C)C[C@@H]1C ZINC000925415972 658842348 /nfs/dbraw/zinc/84/23/48/658842348.db2.gz BGHOZBXTRLULRW-RWMBFGLXSA-N 2 2 284.404 -0.213 20 0 CBADLP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@H]2CC[N@H+]2C)C[C@@H]1C ZINC000925415972 658842349 /nfs/dbraw/zinc/84/23/49/658842349.db2.gz BGHOZBXTRLULRW-RWMBFGLXSA-N 2 2 284.404 -0.213 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC000962290351 658849660 /nfs/dbraw/zinc/84/96/60/658849660.db2.gz AHHVYBXRABTVPB-PJXYFTJBSA-N 2 2 264.329 -0.999 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC000962290351 658849661 /nfs/dbraw/zinc/84/96/61/658849661.db2.gz AHHVYBXRABTVPB-PJXYFTJBSA-N 2 2 264.329 -0.999 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC1CC(C[NH2+][C@H]2CCNC2=O)C1 ZINC000962465575 658854731 /nfs/dbraw/zinc/85/47/31/658854731.db2.gz LPGNSCFWFCSTNB-ILDUYXDCSA-N 2 2 291.355 -0.675 20 0 CBADLP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CNCCOC2)CC1 ZINC000925546784 658858297 /nfs/dbraw/zinc/85/82/97/658858297.db2.gz KPTLNDBEKLUQCN-KGLIPLIRSA-N 2 2 270.421 -0.410 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@@H]1[C@H]2C[N@H+](C[C@H]3CCOC3)C[C@H]21 ZINC000963016609 658861704 /nfs/dbraw/zinc/86/17/04/658861704.db2.gz JADKQZPFGFNHSR-CXTNEJHOSA-N 2 2 290.367 -0.034 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@@H]1[C@H]2C[N@@H+](C[C@H]3CCOC3)C[C@H]21 ZINC000963016609 658861705 /nfs/dbraw/zinc/86/17/05/658861705.db2.gz JADKQZPFGFNHSR-CXTNEJHOSA-N 2 2 290.367 -0.034 20 0 CBADLP C[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1 ZINC000963021146 658861729 /nfs/dbraw/zinc/86/17/29/658861729.db2.gz OTDHXSYPHFTQFC-DCQANWLSSA-N 2 2 264.329 -0.690 20 0 CBADLP C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1 ZINC000963021146 658861733 /nfs/dbraw/zinc/86/17/33/658861733.db2.gz OTDHXSYPHFTQFC-DCQANWLSSA-N 2 2 264.329 -0.690 20 0 CBADLP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925609848 658861736 /nfs/dbraw/zinc/86/17/36/658861736.db2.gz WMRBJNVJLOLOQY-KGLIPLIRSA-N 3 2 271.405 -0.199 20 0 CBADLP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925609848 658861746 /nfs/dbraw/zinc/86/17/46/658861746.db2.gz WMRBJNVJLOLOQY-KGLIPLIRSA-N 3 2 271.405 -0.199 20 0 CBADLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCNC(=O)c1ccn[nH]1 ZINC000925631635 658863998 /nfs/dbraw/zinc/86/39/98/658863998.db2.gz IYALJHKXTPHROD-ZJUUUORDSA-N 2 2 251.334 -0.130 20 0 CBADLP O=C1NCCN1CC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000925777671 658870654 /nfs/dbraw/zinc/87/06/54/658870654.db2.gz QDJNYVPQWHQNRP-NEPJUHHUSA-N 2 2 268.361 -0.632 20 0 CBADLP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1nnc2n1CCNC2=O ZINC000925767497 658871177 /nfs/dbraw/zinc/87/11/77/658871177.db2.gz VHKOHPKYMIIJCL-NXEZZACHSA-N 2 2 278.360 -0.371 20 0 CBADLP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1nnc2n1CCNC2=O ZINC000925767504 658871259 /nfs/dbraw/zinc/87/12/59/658871259.db2.gz VHKOHPKYMIIJCL-ZJUUUORDSA-N 2 2 278.360 -0.371 20 0 CBADLP [NH3+]C1CCN(CC[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC1 ZINC000925817659 658872857 /nfs/dbraw/zinc/87/28/57/658872857.db2.gz UXJMLSCAFKQTMR-GJZGRUSLSA-N 3 2 282.432 -0.234 20 0 CBADLP Cn1nccc1[C@H](O)C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000925890381 658876334 /nfs/dbraw/zinc/87/63/34/658876334.db2.gz OSWXFPTXIWFLDV-MCIONIFRSA-N 2 2 280.372 -0.190 20 0 CBADLP NC(=O)C[NH2+]C1CC2(CC(NC(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC000965590093 658881846 /nfs/dbraw/zinc/88/18/46/658881846.db2.gz QQUGNBWBFOGDGA-UHFFFAOYSA-N 2 2 291.355 -0.546 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC1CC2(C1)CC([NH2+]CCO)C2 ZINC000965947726 658885390 /nfs/dbraw/zinc/88/53/90/658885390.db2.gz QKFSWFCOHPNRTI-UHFFFAOYSA-N 2 2 278.356 -0.108 20 0 CBADLP [NH3+]CC[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC000926295681 658890685 /nfs/dbraw/zinc/89/06/85/658890685.db2.gz QAHZBOPSXJXLSU-GFCCVEGCSA-N 2 2 294.399 -0.510 20 0 CBADLP CCO[C@H](C[NH2+][C@@H]1C(=O)NCC12CCOCC2)C[NH+](C)C ZINC000926960526 658918724 /nfs/dbraw/zinc/91/87/24/658918724.db2.gz MJMVYXRZWGZTLL-CHWSQXEVSA-N 2 2 299.415 -0.162 20 0 CBADLP CCO[C@@H](C[NH2+][C@H]1C(=O)NCC12CCOCC2)C[NH+](C)C ZINC000926960530 658919421 /nfs/dbraw/zinc/91/94/21/658919421.db2.gz MJMVYXRZWGZTLL-STQMWFEESA-N 2 2 299.415 -0.162 20 0 CBADLP C[C@H]1CC[N@H+](CC(N)=O)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000968189846 658921301 /nfs/dbraw/zinc/92/13/01/658921301.db2.gz IRMHNPVBEUWYRK-WCQYABFASA-N 2 2 296.415 -0.360 20 0 CBADLP C[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000968189846 658921304 /nfs/dbraw/zinc/92/13/04/658921304.db2.gz IRMHNPVBEUWYRK-WCQYABFASA-N 2 2 296.415 -0.360 20 0 CBADLP NC(=O)C[NH2+][C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000968537864 658931045 /nfs/dbraw/zinc/93/10/45/658931045.db2.gz CRLCROXUPYYXTE-SECBINFHSA-N 2 2 265.317 -0.982 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CC(N)=O)CC[C@H]1C ZINC000968655251 658937203 /nfs/dbraw/zinc/93/72/03/658937203.db2.gz NGRCPYAHWSDIES-ZYHUDNBSSA-N 2 2 293.371 -0.497 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CC(N)=O)CC[C@H]1C ZINC000968655251 658937211 /nfs/dbraw/zinc/93/72/11/658937211.db2.gz NGRCPYAHWSDIES-ZYHUDNBSSA-N 2 2 293.371 -0.497 20 0 CBADLP C[C@H]([NH2+][C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1)C(N)=O ZINC000968872376 658942726 /nfs/dbraw/zinc/94/27/26/658942726.db2.gz VLFKZAHDQVUOPN-GXSJLCMTSA-N 2 2 279.344 -0.593 20 0 CBADLP C[C@H]([NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1)C(N)=O ZINC000968872376 658942729 /nfs/dbraw/zinc/94/27/29/658942729.db2.gz VLFKZAHDQVUOPN-GXSJLCMTSA-N 2 2 279.344 -0.593 20 0 CBADLP C[C@H](O)C[NH2+][C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC000969437333 658990113 /nfs/dbraw/zinc/99/01/13/658990113.db2.gz SESGXQNCPXQPAB-NWDGAFQWSA-N 2 2 280.372 -0.076 20 0 CBADLP C[C@@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)C1C[NH+](CCO)C1 ZINC000969996875 659028323 /nfs/dbraw/zinc/02/83/23/659028323.db2.gz LFKNLHBCBKOTMV-NEPJUHHUSA-N 2 2 292.383 -0.126 20 0 CBADLP C[C@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)C1C[NH+](CCO)C1 ZINC000969998492 659028546 /nfs/dbraw/zinc/02/85/46/659028546.db2.gz UEOHPKWMMWWZKR-RYUDHWBXSA-N 2 2 292.383 -0.126 20 0 CBADLP C[C@@H]([NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1)C(N)=O ZINC000970103678 659035278 /nfs/dbraw/zinc/03/52/78/659035278.db2.gz RRZXLVPPEQDCSK-RKDXNWHRSA-N 2 2 265.317 -0.984 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC000970228672 659040288 /nfs/dbraw/zinc/04/02/88/659040288.db2.gz WOXXDMICOLEHIR-NXEZZACHSA-N 2 2 279.344 -0.736 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC000970341220 659049537 /nfs/dbraw/zinc/04/95/37/659049537.db2.gz LFGSCSGXSYLPQB-GHMZBOCLSA-N 2 2 291.355 -0.579 20 0 CBADLP C[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000970341592 659050209 /nfs/dbraw/zinc/05/02/09/659050209.db2.gz QXXYCMCSWCNMJY-NXEZZACHSA-N 2 2 252.318 -0.477 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC000970343942 659050473 /nfs/dbraw/zinc/05/04/73/659050473.db2.gz SZKZHXFBMGOTMA-ZJUUUORDSA-N 2 2 277.328 -0.969 20 0 CBADLP C[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000970482635 659057538 /nfs/dbraw/zinc/05/75/38/659057538.db2.gz XPJLDDUNMZNDAV-GHMZBOCLSA-N 2 2 266.345 -0.466 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]([NH2+]CCO)C1 ZINC000970577094 659061301 /nfs/dbraw/zinc/06/13/01/659061301.db2.gz MECIZPILYFBEMZ-SNVBAGLBSA-N 2 2 252.318 -0.557 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]([NH2+]C[C@H](C)O)C1 ZINC000970581510 659061707 /nfs/dbraw/zinc/06/17/07/659061707.db2.gz JZKRGNXMOOBZET-GXSJLCMTSA-N 2 2 266.345 -0.168 20 0 CBADLP C[C@@H]([NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1)C(N)=O ZINC000970609505 659063162 /nfs/dbraw/zinc/06/31/62/659063162.db2.gz KHKFUWUKQHZYGO-GHMZBOCLSA-N 2 2 293.371 -0.583 20 0 CBADLP O=C([C@@H](C1CC1)[NH+]1CCOCC1)N1CC[C@@H]([NH2+]CCO)C1 ZINC000970768000 659070845 /nfs/dbraw/zinc/07/08/45/659070845.db2.gz RJJMSIUMSUFRDI-ZIAGYGMSSA-N 2 2 297.399 -0.720 20 0 CBADLP C[C@@H](C(N)=O)[N@H+](C)[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000971433850 659091983 /nfs/dbraw/zinc/09/19/83/659091983.db2.gz UOTHNDGITPYCEH-WDEREUQCSA-N 2 2 293.371 -0.251 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000971433850 659091987 /nfs/dbraw/zinc/09/19/87/659091987.db2.gz UOTHNDGITPYCEH-WDEREUQCSA-N 2 2 293.371 -0.251 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]([N@@H+](C)[C@H](C)C(N)=O)C1 ZINC000971949771 659101137 /nfs/dbraw/zinc/10/11/37/659101137.db2.gz MYWFMQMCKZPKNB-VXGBXAGGSA-N 2 2 293.371 -0.402 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]([N@H+](C)[C@H](C)C(N)=O)C1 ZINC000971949771 659101147 /nfs/dbraw/zinc/10/11/47/659101147.db2.gz MYWFMQMCKZPKNB-VXGBXAGGSA-N 2 2 293.371 -0.402 20 0 CBADLP CCOC(=O)[C@@H]1C[C@H]1C[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000929260349 659108831 /nfs/dbraw/zinc/10/88/31/659108831.db2.gz WFSIMYWXTPANHO-QWHCGFSZSA-N 2 2 297.399 -0.109 20 0 CBADLP C[NH+](C)CC(=O)N1CC[NH+](C[C@@H]2C[C@@H]3COC[C@@H]3O2)CC1 ZINC000929258731 659109168 /nfs/dbraw/zinc/10/91/68/659109168.db2.gz CKKXDWYJGUKJNF-RDBSUJKOSA-N 2 2 297.399 -0.504 20 0 CBADLP C[C@@H](CNC(=O)C[N@@H+]1CCCOCC1)[NH+]1CCCOCC1 ZINC000929413262 659122148 /nfs/dbraw/zinc/12/21/48/659122148.db2.gz VVWVAJSNNZOVLN-AWEZNQCLSA-N 2 2 299.415 -0.064 20 0 CBADLP C[C@@H](CNC(=O)C[N@H+]1CCCOCC1)[NH+]1CCCOCC1 ZINC000929413262 659122153 /nfs/dbraw/zinc/12/21/53/659122153.db2.gz VVWVAJSNNZOVLN-AWEZNQCLSA-N 2 2 299.415 -0.064 20 0 CBADLP C[C@@H](CNC(=O)C[NH+]1CCCOCC1)[N@@H+]1CCCOCC1 ZINC000929413262 659122160 /nfs/dbraw/zinc/12/21/60/659122160.db2.gz VVWVAJSNNZOVLN-AWEZNQCLSA-N 2 2 299.415 -0.064 20 0 CBADLP C[C@@H](CNC(=O)C[NH+]1CCCOCC1)[N@H+]1CCCOCC1 ZINC000929413262 659122162 /nfs/dbraw/zinc/12/21/62/659122162.db2.gz VVWVAJSNNZOVLN-AWEZNQCLSA-N 2 2 299.415 -0.064 20 0 CBADLP CC[NH+](CC)CC(=O)N1CC[NH+](C[C@@H](O)[C@H](C)O)CC1 ZINC000929516694 659137406 /nfs/dbraw/zinc/13/74/06/659137406.db2.gz BWQXJYAMTUFIGC-QWHCGFSZSA-N 2 2 287.404 -0.786 20 0 CBADLP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1C[NH+](CC(N)=O)CC1(C)C ZINC000975053134 659177261 /nfs/dbraw/zinc/17/72/61/659177261.db2.gz SSUWNPKJIJHPCQ-NEPJUHHUSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1C[NH+](CC(N)=O)CC1(C)C ZINC000975053134 659177264 /nfs/dbraw/zinc/17/72/64/659177264.db2.gz SSUWNPKJIJHPCQ-NEPJUHHUSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1C[N@H+](CC(N)=O)CC1(C)C ZINC000975053134 659177266 /nfs/dbraw/zinc/17/72/66/659177266.db2.gz SSUWNPKJIJHPCQ-NEPJUHHUSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1C[N@@H+](CC(N)=O)CC1(C)C ZINC000975053134 659177268 /nfs/dbraw/zinc/17/72/68/659177268.db2.gz SSUWNPKJIJHPCQ-NEPJUHHUSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000977596267 659199406 /nfs/dbraw/zinc/19/94/06/659199406.db2.gz RRBLSODNXYZWSB-NWDGAFQWSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000977596267 659199409 /nfs/dbraw/zinc/19/94/09/659199409.db2.gz RRBLSODNXYZWSB-NWDGAFQWSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@H](O)[C@H](O)C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000930062546 659201597 /nfs/dbraw/zinc/20/15/97/659201597.db2.gz VKSLOOHIJWSCIE-WDEREUQCSA-N 2 2 254.334 -0.716 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]([N@@H+](C)[C@H](C)C(N)=O)C1 ZINC000980265563 659260750 /nfs/dbraw/zinc/26/07/50/659260750.db2.gz VIQJFUCTQQQMHM-MNOVXSKESA-N 2 2 293.371 -0.333 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]([N@H+](C)[C@H](C)C(N)=O)C1 ZINC000980265563 659260759 /nfs/dbraw/zinc/26/07/59/659260759.db2.gz VIQJFUCTQQQMHM-MNOVXSKESA-N 2 2 293.371 -0.333 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]([N@@H+](C)[C@@H](C)C(N)=O)C1 ZINC000980265568 659261959 /nfs/dbraw/zinc/26/19/59/659261959.db2.gz VIQJFUCTQQQMHM-WDEREUQCSA-N 2 2 293.371 -0.333 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]([N@H+](C)[C@@H](C)C(N)=O)C1 ZINC000980265568 659261971 /nfs/dbraw/zinc/26/19/71/659261971.db2.gz VIQJFUCTQQQMHM-WDEREUQCSA-N 2 2 293.371 -0.333 20 0 CBADLP C[C@@H](O)C[N@H+]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000980893885 659298366 /nfs/dbraw/zinc/29/83/66/659298366.db2.gz QNEAFWXMAVGKTM-CHWSQXEVSA-N 2 2 285.388 -0.768 20 0 CBADLP C[C@@H](O)C[NH+]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000980893885 659298382 /nfs/dbraw/zinc/29/83/82/659298382.db2.gz QNEAFWXMAVGKTM-CHWSQXEVSA-N 2 2 285.388 -0.768 20 0 CBADLP C[C@@H](O)C[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000980893885 659298392 /nfs/dbraw/zinc/29/83/92/659298392.db2.gz QNEAFWXMAVGKTM-CHWSQXEVSA-N 2 2 285.388 -0.768 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CCC[C@H]([NH2+]CCO)C1 ZINC000981462702 659319228 /nfs/dbraw/zinc/31/92/28/659319228.db2.gz YTURMJNLSZBQSS-RYUDHWBXSA-N 2 2 280.372 -0.028 20 0 CBADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCC[N@@H+](CCO)CC1 ZINC000981477046 659319546 /nfs/dbraw/zinc/31/95/46/659319546.db2.gz OUNHAPUKRZGSNC-CYBMUJFWSA-N 2 2 292.383 -0.028 20 0 CBADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCC[N@H+](CCO)CC1 ZINC000981477046 659319554 /nfs/dbraw/zinc/31/95/54/659319554.db2.gz OUNHAPUKRZGSNC-CYBMUJFWSA-N 2 2 292.383 -0.028 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CCC[C@H]([NH2+]CCO)C1 ZINC000981550505 659322486 /nfs/dbraw/zinc/32/24/86/659322486.db2.gz NQAWXHJBNMDJFS-NWDGAFQWSA-N 2 2 266.345 -0.108 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N1CCC[N@@H+]([C@H](C)C(N)=O)CC1 ZINC000981624726 659325105 /nfs/dbraw/zinc/32/51/05/659325105.db2.gz FQWRDIVFZPPINE-GFCCVEGCSA-N 2 2 293.371 -0.400 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N1CCC[N@H+]([C@H](C)C(N)=O)CC1 ZINC000981624726 659325109 /nfs/dbraw/zinc/32/51/09/659325109.db2.gz FQWRDIVFZPPINE-GFCCVEGCSA-N 2 2 293.371 -0.400 20 0 CBADLP C[N@H+](CCO)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000985717596 659396953 /nfs/dbraw/zinc/39/69/53/659396953.db2.gz LQQWHSJVFXZLKC-UHFFFAOYSA-N 2 2 266.345 -0.133 20 0 CBADLP C[N@@H+](CCO)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000985717596 659396960 /nfs/dbraw/zinc/39/69/60/659396960.db2.gz LQQWHSJVFXZLKC-UHFFFAOYSA-N 2 2 266.345 -0.133 20 0 CBADLP COC[C@@H](C)OC[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931277340 659423138 /nfs/dbraw/zinc/42/31/38/659423138.db2.gz JKCBQTDHXOZKJA-POQQGIQPSA-N 2 2 272.389 -0.109 20 0 CBADLP COC[C@@H](C)OC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931277340 659423145 /nfs/dbraw/zinc/42/31/45/659423145.db2.gz JKCBQTDHXOZKJA-POQQGIQPSA-N 2 2 272.389 -0.109 20 0 CBADLP C[NH+]1C[C@]2(C)C[NH+](CCn3cnnn3)C[C@@]2(C)C1 ZINC000931318977 659434270 /nfs/dbraw/zinc/43/42/70/659434270.db2.gz WIPQHULYYCKZIQ-VXGBXAGGSA-N 2 2 250.350 -0.053 20 0 CBADLP C[C@@H]1[C@H]([NH2+]CC(N)=O)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000986355864 659445464 /nfs/dbraw/zinc/44/54/64/659445464.db2.gz QPZMSEPMQOQOKP-MWLCHTKSSA-N 2 2 279.344 -0.593 20 0 CBADLP C[C@@H]1[C@H]([NH2+]CC(N)=O)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000986355864 659445471 /nfs/dbraw/zinc/44/54/71/659445471.db2.gz QPZMSEPMQOQOKP-MWLCHTKSSA-N 2 2 279.344 -0.593 20 0 CBADLP Nc1cc[nH+]c2c1C[N@H+](C[C@@H](O)C1(O)CCOCC1)CC2 ZINC000931516372 659476702 /nfs/dbraw/zinc/47/67/02/659476702.db2.gz MROJGGYCWHQEQK-CQSZACIVSA-N 2 2 293.367 -0.076 20 0 CBADLP Nc1cc[nH+]c2c1C[N@@H+](C[C@@H](O)C1(O)CCOCC1)CC2 ZINC000931516372 659476707 /nfs/dbraw/zinc/47/67/07/659476707.db2.gz MROJGGYCWHQEQK-CQSZACIVSA-N 2 2 293.367 -0.076 20 0 CBADLP CON1CC[C@H]([NH+]2CCC(N3CC[NH+](C)CC3)CC2)C1=O ZINC000931548842 659485374 /nfs/dbraw/zinc/48/53/74/659485374.db2.gz KWRWGTVBLBWKOY-AWEZNQCLSA-N 2 2 296.415 -0.140 20 0 CBADLP C[C@@H]1[C@@H]([NH2+]CCO)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000987265499 659499379 /nfs/dbraw/zinc/49/93/79/659499379.db2.gz HUTGJVXIACNJJF-ZJUUUORDSA-N 2 2 252.318 -0.477 20 0 CBADLP COC1(OC)CC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C[C@@H]1O ZINC000931636837 659499790 /nfs/dbraw/zinc/49/97/90/659499790.db2.gz ZIHSVLDSGJXEJO-STQMWFEESA-N 2 2 290.404 -0.257 20 0 CBADLP COC1(OC)CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C[C@@H]1O ZINC000931636837 659499795 /nfs/dbraw/zinc/49/97/95/659499795.db2.gz ZIHSVLDSGJXEJO-STQMWFEESA-N 2 2 290.404 -0.257 20 0 CBADLP COC1(OC)CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C[C@@H]1O ZINC000931636837 659499804 /nfs/dbraw/zinc/49/98/04/659499804.db2.gz ZIHSVLDSGJXEJO-STQMWFEESA-N 2 2 290.404 -0.257 20 0 CBADLP COC1(OC)CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C[C@@H]1O ZINC000931636837 659499814 /nfs/dbraw/zinc/49/98/14/659499814.db2.gz ZIHSVLDSGJXEJO-STQMWFEESA-N 2 2 290.404 -0.257 20 0 CBADLP C[C@@H]1[C@H]([NH2+]CC(N)=O)CCN1C(=O)Cc1c[nH+]cn1C ZINC000987346771 659502746 /nfs/dbraw/zinc/50/27/46/659502746.db2.gz BUDCFKFRFOCCRA-MWLCHTKSSA-N 2 2 279.344 -0.973 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]([NH2+]CCO)[C@H]1C ZINC000987418820 659505828 /nfs/dbraw/zinc/50/58/28/659505828.db2.gz AAJYJUKPCHSSKZ-GHMZBOCLSA-N 2 2 266.345 -0.168 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]([NH2+]CC(N)=O)[C@@H]1C ZINC000987424033 659505845 /nfs/dbraw/zinc/50/58/45/659505845.db2.gz YIQMAFKPBWUWKD-VHSXEESVSA-N 2 2 279.344 -0.675 20 0 CBADLP COC(=O)CNC(=O)CC[N@@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931726535 659513644 /nfs/dbraw/zinc/51/36/44/659513644.db2.gz IKTPRWFYMCRBMD-NEPJUHHUSA-N 2 2 283.372 -0.166 20 0 CBADLP COC(=O)CNC(=O)CC[N@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931726535 659513653 /nfs/dbraw/zinc/51/36/53/659513653.db2.gz IKTPRWFYMCRBMD-NEPJUHHUSA-N 2 2 283.372 -0.166 20 0 CBADLP COC(=O)CNC(=O)CC[NH+]1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000931726535 659513655 /nfs/dbraw/zinc/51/36/55/659513655.db2.gz IKTPRWFYMCRBMD-NEPJUHHUSA-N 2 2 283.372 -0.166 20 0 CBADLP COC(=O)CNC(=O)CC[NH+]1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000931726535 659513664 /nfs/dbraw/zinc/51/36/64/659513664.db2.gz IKTPRWFYMCRBMD-NEPJUHHUSA-N 2 2 283.372 -0.166 20 0 CBADLP C[C@H]1C[C@@H]([NH2+]CCO)CN1C(=O)CCc1c[nH]c[nH+]1 ZINC000988934333 659562421 /nfs/dbraw/zinc/56/24/21/659562421.db2.gz SBJFDYKAXJRNOQ-CMPLNLGQSA-N 2 2 266.345 -0.086 20 0 CBADLP C[C@H]1C[C@@H]([NH2+]CCO)CN1C(=O)CCc1c[nH+]c[nH]1 ZINC000988934333 659562435 /nfs/dbraw/zinc/56/24/35/659562435.db2.gz SBJFDYKAXJRNOQ-CMPLNLGQSA-N 2 2 266.345 -0.086 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC000989480342 659589138 /nfs/dbraw/zinc/58/91/38/659589138.db2.gz FSNMSYOSLRSUJC-CHWSQXEVSA-N 2 2 296.415 -0.264 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC000989480342 659589149 /nfs/dbraw/zinc/58/91/49/659589149.db2.gz FSNMSYOSLRSUJC-CHWSQXEVSA-N 2 2 296.415 -0.264 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000989480342 659589159 /nfs/dbraw/zinc/58/91/59/659589159.db2.gz FSNMSYOSLRSUJC-CHWSQXEVSA-N 2 2 296.415 -0.264 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000989480342 659589172 /nfs/dbraw/zinc/58/91/72/659589172.db2.gz FSNMSYOSLRSUJC-CHWSQXEVSA-N 2 2 296.415 -0.264 20 0 CBADLP C[C@H](O)C[N@@H+]1CCCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC000989482746 659590491 /nfs/dbraw/zinc/59/04/91/659590491.db2.gz HKCBFFXVERNDGJ-LBPRGKRZSA-N 2 2 280.372 -0.122 20 0 CBADLP C[C@H](O)C[N@H+]1CCCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC000989482746 659590494 /nfs/dbraw/zinc/59/04/94/659590494.db2.gz HKCBFFXVERNDGJ-LBPRGKRZSA-N 2 2 280.372 -0.122 20 0 CBADLP C[C@@H]1C[C@@H]([NH2+]CC(N)=O)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC000989491414 659590728 /nfs/dbraw/zinc/59/07/28/659590728.db2.gz GITWVQRSQKZTRT-PSASIEDQSA-N 2 2 265.317 -0.984 20 0 CBADLP C[C@@H](O)C[N@@H+]1CCCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC000989482745 659590896 /nfs/dbraw/zinc/59/08/96/659590896.db2.gz HKCBFFXVERNDGJ-GFCCVEGCSA-N 2 2 280.372 -0.122 20 0 CBADLP C[C@@H](O)C[N@H+]1CCCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC000989482745 659590902 /nfs/dbraw/zinc/59/09/02/659590902.db2.gz HKCBFFXVERNDGJ-GFCCVEGCSA-N 2 2 280.372 -0.122 20 0 CBADLP C[C@@H]1C[C@H]([NH2+]CC(N)=O)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC000989613114 659602029 /nfs/dbraw/zinc/60/20/29/659602029.db2.gz PVWFFBRLMCVLSF-BDAKNGLRSA-N 2 2 265.317 -0.984 20 0 CBADLP C[C@H]1C[C@H]([NH2+]CCO)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC000989612563 659602439 /nfs/dbraw/zinc/60/24/39/659602439.db2.gz LMYTVPYEBCIAOL-UWVGGRQHSA-N 2 2 252.318 -0.477 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000989669353 659607022 /nfs/dbraw/zinc/60/70/22/659607022.db2.gz BIWGLEGFEMXEDO-ZDUSSCGKSA-N 2 2 296.415 -0.249 20 0 CBADLP CNC(=O)[C@H](C)[N@H+]1CCCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000989669353 659607029 /nfs/dbraw/zinc/60/70/29/659607029.db2.gz BIWGLEGFEMXEDO-ZDUSSCGKSA-N 2 2 296.415 -0.249 20 0 CBADLP C[C@H]1COC[C@@H]1[NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000932498516 659607372 /nfs/dbraw/zinc/60/73/72/659607372.db2.gz XLFXJPWKKHHNMQ-STQMWFEESA-N 2 2 299.415 -0.162 20 0 CBADLP C[C@@H]1C[C@@H]([NH2+]CCO)CN1C(=O)Cc1c[nH+]cn1C ZINC000989680201 659608047 /nfs/dbraw/zinc/60/80/47/659608047.db2.gz RLAIUZIJORHHLD-GHMZBOCLSA-N 2 2 266.345 -0.466 20 0 CBADLP C[C@H]1C[C@@H]([NH2+]CC(N)=O)CN1C(=O)CCc1c[nH+]cn1C ZINC000989736415 659611174 /nfs/dbraw/zinc/61/11/74/659611174.db2.gz OGRIKUHPDUQFFI-WDEREUQCSA-N 2 2 293.371 -0.583 20 0 CBADLP C[C@@H]1C[C@@H]([NH2+]CC(N)=O)CN1C(=O)CCc1c[nH+]cn1C ZINC000989736412 659611243 /nfs/dbraw/zinc/61/12/43/659611243.db2.gz OGRIKUHPDUQFFI-GHMZBOCLSA-N 2 2 293.371 -0.583 20 0 CBADLP CCOC(=O)[C@@H]1CC[N@H+](C[C@@H](O)C[NH+](C)CCOC)C1 ZINC000932640570 659611908 /nfs/dbraw/zinc/61/19/08/659611908.db2.gz ZPIWKGYFYPLFOB-OLZOCXBDSA-N 2 2 288.388 -0.190 20 0 CBADLP CCOC(=O)[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)CCOC)C1 ZINC000932640570 659611918 /nfs/dbraw/zinc/61/19/18/659611918.db2.gz ZPIWKGYFYPLFOB-OLZOCXBDSA-N 2 2 288.388 -0.190 20 0 CBADLP CCOC(=O)[C@@H]1CC[NH+](C[C@@H](O)C[N@H+](C)CCOC)C1 ZINC000932640570 659611929 /nfs/dbraw/zinc/61/19/29/659611929.db2.gz ZPIWKGYFYPLFOB-OLZOCXBDSA-N 2 2 288.388 -0.190 20 0 CBADLP CCOC(=O)[C@@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)CCOC)C1 ZINC000932640570 659611934 /nfs/dbraw/zinc/61/19/34/659611934.db2.gz ZPIWKGYFYPLFOB-OLZOCXBDSA-N 2 2 288.388 -0.190 20 0 CBADLP CCOC(=O)[C@H]1CC[N@H+](C[C@H](O)C[NH+](C)CCOC)C1 ZINC000932640571 659612952 /nfs/dbraw/zinc/61/29/52/659612952.db2.gz ZPIWKGYFYPLFOB-QWHCGFSZSA-N 2 2 288.388 -0.190 20 0 CBADLP CCOC(=O)[C@H]1CC[N@@H+](C[C@H](O)C[NH+](C)CCOC)C1 ZINC000932640571 659612960 /nfs/dbraw/zinc/61/29/60/659612960.db2.gz ZPIWKGYFYPLFOB-QWHCGFSZSA-N 2 2 288.388 -0.190 20 0 CBADLP CCOC(=O)[C@H]1CC[NH+](C[C@H](O)C[N@H+](C)CCOC)C1 ZINC000932640571 659612966 /nfs/dbraw/zinc/61/29/66/659612966.db2.gz ZPIWKGYFYPLFOB-QWHCGFSZSA-N 2 2 288.388 -0.190 20 0 CBADLP CCOC(=O)[C@H]1CC[NH+](C[C@H](O)C[N@@H+](C)CCOC)C1 ZINC000932640571 659612970 /nfs/dbraw/zinc/61/29/70/659612970.db2.gz ZPIWKGYFYPLFOB-QWHCGFSZSA-N 2 2 288.388 -0.190 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)Cn2cc[nH+]c2)C1 ZINC000990506525 659753395 /nfs/dbraw/zinc/75/33/95/659753395.db2.gz CIUSJKXCTYXAHP-LBPRGKRZSA-N 2 2 291.355 -0.696 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)Cn2cc[nH+]c2)C1 ZINC000990506525 659753406 /nfs/dbraw/zinc/75/34/06/659753406.db2.gz CIUSJKXCTYXAHP-LBPRGKRZSA-N 2 2 291.355 -0.696 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@@H](O)[C@H](F)C2)CC1 ZINC000934576114 659806114 /nfs/dbraw/zinc/80/61/14/659806114.db2.gz ZXYYUUZQMXBUCM-VXGBXAGGSA-N 2 2 273.352 -0.445 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@@H](O)[C@H](F)C2)CC1 ZINC000934576114 659806116 /nfs/dbraw/zinc/80/61/16/659806116.db2.gz ZXYYUUZQMXBUCM-VXGBXAGGSA-N 2 2 273.352 -0.445 20 0 CBADLP NC(=O)C[NH2+]C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000991900315 659848281 /nfs/dbraw/zinc/84/82/81/659848281.db2.gz HIBWFKNOLGBHJI-UHFFFAOYSA-N 2 2 279.344 -0.592 20 0 CBADLP NC(=O)C[N@@H+]1CC[C@@]2(NC(=O)Cn3cc[nH+]c3)CCC[C@H]12 ZINC000992536089 659857900 /nfs/dbraw/zinc/85/79/00/659857900.db2.gz QWOIMKDWAUWBCN-FZMZJTMJSA-N 2 2 291.355 -0.518 20 0 CBADLP NC(=O)C[N@H+]1CC[C@@]2(NC(=O)Cn3cc[nH+]c3)CCC[C@H]12 ZINC000992536089 659857902 /nfs/dbraw/zinc/85/79/02/659857902.db2.gz QWOIMKDWAUWBCN-FZMZJTMJSA-N 2 2 291.355 -0.518 20 0 CBADLP C[C@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCC[N@@H+]1CC(N)=O ZINC000993749484 659873913 /nfs/dbraw/zinc/87/39/13/659873913.db2.gz CIFXEWPEYZOIKY-AAEUAGOBSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCC[N@H+]1CC(N)=O ZINC000993749484 659873915 /nfs/dbraw/zinc/87/39/15/659873915.db2.gz CIFXEWPEYZOIKY-AAEUAGOBSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@H]1[C@H](NC(=O)Cc2c[nH+]cn2C)CCC[N@@H+]1CCO ZINC000994226846 659880259 /nfs/dbraw/zinc/88/02/59/659880259.db2.gz GSNNBDCNUIGSIZ-WCQYABFASA-N 2 2 280.372 -0.076 20 0 CBADLP C[C@H]1[C@H](NC(=O)Cc2c[nH+]cn2C)CCC[N@H+]1CCO ZINC000994226846 659880261 /nfs/dbraw/zinc/88/02/61/659880261.db2.gz GSNNBDCNUIGSIZ-WCQYABFASA-N 2 2 280.372 -0.076 20 0 CBADLP CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H]1C ZINC000994408018 659881482 /nfs/dbraw/zinc/88/14/82/659881482.db2.gz MNIAJDWZTSCACB-QWHCGFSZSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H]1C ZINC000994408018 659881485 /nfs/dbraw/zinc/88/14/85/659881485.db2.gz MNIAJDWZTSCACB-QWHCGFSZSA-N 2 2 296.415 -0.203 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@H+](CC(N)=O)[C@H]1C ZINC000994418490 659882028 /nfs/dbraw/zinc/88/20/28/659882028.db2.gz GJBYJKNMRHEKOU-CMPLNLGQSA-N 2 2 293.371 -0.354 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)[C@H]1C ZINC000994418490 659882031 /nfs/dbraw/zinc/88/20/31/659882031.db2.gz GJBYJKNMRHEKOU-CMPLNLGQSA-N 2 2 293.371 -0.354 20 0 CBADLP C[C@H]1[C@H](NC(=O)Cn2cc[nH+]c2)CCC[N@@H+]1CCO ZINC000994509164 659883144 /nfs/dbraw/zinc/88/31/44/659883144.db2.gz QWZRXCNABKAJLZ-NWDGAFQWSA-N 2 2 266.345 -0.156 20 0 CBADLP C[C@H]1[C@H](NC(=O)Cn2cc[nH+]c2)CCC[N@H+]1CCO ZINC000994509164 659883148 /nfs/dbraw/zinc/88/31/48/659883148.db2.gz QWZRXCNABKAJLZ-NWDGAFQWSA-N 2 2 266.345 -0.156 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC000994910862 659887070 /nfs/dbraw/zinc/88/70/70/659887070.db2.gz CJEWKURFPOJLKJ-LBPRGKRZSA-N 2 2 291.355 -0.696 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC000994910862 659887073 /nfs/dbraw/zinc/88/70/73/659887073.db2.gz CJEWKURFPOJLKJ-LBPRGKRZSA-N 2 2 291.355 -0.696 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1C ZINC000942518321 659923562 /nfs/dbraw/zinc/92/35/62/659923562.db2.gz PXUOQZIOFBLZSJ-JQWIXIFHSA-N 2 2 293.371 -0.497 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1C ZINC000942518321 659923564 /nfs/dbraw/zinc/92/35/64/659923564.db2.gz PXUOQZIOFBLZSJ-JQWIXIFHSA-N 2 2 293.371 -0.497 20 0 CBADLP C[C@H]1C[N@H+](CCO)CC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000943766619 659932364 /nfs/dbraw/zinc/93/23/64/659932364.db2.gz LPCKVZOOHANNSZ-WDEREUQCSA-N 2 2 266.345 -0.229 20 0 CBADLP C[C@H]1C[N@@H+](CCO)CC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000943766619 659932366 /nfs/dbraw/zinc/93/23/66/659932366.db2.gz LPCKVZOOHANNSZ-WDEREUQCSA-N 2 2 266.345 -0.229 20 0 CBADLP C[C@H]1C[N@H+](CCO)CC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000944151956 659934518 /nfs/dbraw/zinc/93/45/18/659934518.db2.gz BOFLGWMYFRXHHP-WCQYABFASA-N 2 2 280.372 -0.219 20 0 CBADLP C[C@H]1C[N@@H+](CCO)CC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000944151956 659934519 /nfs/dbraw/zinc/93/45/19/659934519.db2.gz BOFLGWMYFRXHHP-WCQYABFASA-N 2 2 280.372 -0.219 20 0 CBADLP C[C@@H]1C[N@H+](CCO)CC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000944151955 659934618 /nfs/dbraw/zinc/93/46/18/659934618.db2.gz BOFLGWMYFRXHHP-DGCLKSJQSA-N 2 2 280.372 -0.219 20 0 CBADLP C[C@@H]1C[N@@H+](CCO)CC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000944151955 659934619 /nfs/dbraw/zinc/93/46/19/659934619.db2.gz BOFLGWMYFRXHHP-DGCLKSJQSA-N 2 2 280.372 -0.219 20 0 CBADLP C[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)[C@@H]2C1 ZINC001076462327 805576687 /nfs/dbraw/zinc/57/66/87/805576687.db2.gz QIFUMKMBJUMLEI-MBNYWOFBSA-N 2 2 292.383 -0.124 20 0 CBADLP C[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)[C@@H]2C1 ZINC001076462327 805576694 /nfs/dbraw/zinc/57/66/94/805576694.db2.gz QIFUMKMBJUMLEI-MBNYWOFBSA-N 2 2 292.383 -0.124 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001076571606 805581780 /nfs/dbraw/zinc/58/17/80/805581780.db2.gz PVOAGFBTWPUXNQ-FRRDWIJNSA-N 2 2 294.399 -0.511 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001076571606 805581784 /nfs/dbraw/zinc/58/17/84/805581784.db2.gz PVOAGFBTWPUXNQ-FRRDWIJNSA-N 2 2 294.399 -0.511 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001076633412 805583323 /nfs/dbraw/zinc/58/33/23/805583323.db2.gz MXMJDXMLCAAUNS-GRYCIOLGSA-N 2 2 291.355 -0.710 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001076633412 805583328 /nfs/dbraw/zinc/58/33/28/805583328.db2.gz MXMJDXMLCAAUNS-GRYCIOLGSA-N 2 2 291.355 -0.710 20 0 CBADLP C[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001076633322 805584006 /nfs/dbraw/zinc/58/40/06/805584006.db2.gz IQFASCKWLKMNAI-FRRDWIJNSA-N 2 2 278.356 -0.203 20 0 CBADLP C[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001076633322 805584009 /nfs/dbraw/zinc/58/40/09/805584009.db2.gz IQFASCKWLKMNAI-FRRDWIJNSA-N 2 2 278.356 -0.203 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCF)C[C@H]1O ZINC001076812329 805628563 /nfs/dbraw/zinc/62/85/63/805628563.db2.gz DEJBSBIDXMKMGH-GRYCIOLGSA-N 2 2 273.352 -0.399 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCF)C[C@H]1O ZINC001076812329 805628566 /nfs/dbraw/zinc/62/85/66/805628566.db2.gz DEJBSBIDXMKMGH-GRYCIOLGSA-N 2 2 273.352 -0.399 20 0 CBADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCF)C[C@H]1O ZINC001076812329 805628573 /nfs/dbraw/zinc/62/85/73/805628573.db2.gz DEJBSBIDXMKMGH-GRYCIOLGSA-N 2 2 273.352 -0.399 20 0 CBADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCF)C[C@H]1O ZINC001076812329 805628579 /nfs/dbraw/zinc/62/85/79/805628579.db2.gz DEJBSBIDXMKMGH-GRYCIOLGSA-N 2 2 273.352 -0.399 20 0 CBADLP C[N@H+](CC(=O)N1CC[NH2+]CC1)[C@H]1CCCCNC1=O ZINC000038031460 790323776 /nfs/dbraw/zinc/32/37/76/790323776.db2.gz BZTGGOQRTVACRY-NSHDSACASA-N 2 2 268.361 -0.981 20 0 CBADLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)[C@H]1CCCCNC1=O ZINC000038031460 790323779 /nfs/dbraw/zinc/32/37/79/790323779.db2.gz BZTGGOQRTVACRY-NSHDSACASA-N 2 2 268.361 -0.981 20 0 CBADLP CC(C)(O)C[NH+]1CCN(c2cc(N)[nH+]cn2)CC1 ZINC000134095978 790390851 /nfs/dbraw/zinc/39/08/51/790390851.db2.gz SHSPQINLASVPSB-UHFFFAOYSA-N 2 2 251.334 -0.048 20 0 CBADLP Cn1c[nH+]c(CCNC(=O)C[C@H]2COCC[NH2+]2)c1 ZINC000313272937 790478650 /nfs/dbraw/zinc/47/86/50/790478650.db2.gz XSDMYVYYNPKMNU-NSHDSACASA-N 2 2 252.318 -0.543 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC2(CC1)OCCO2 ZINC000384058045 790531405 /nfs/dbraw/zinc/53/14/05/790531405.db2.gz YELICXKRNDVBSP-CYBMUJFWSA-N 2 2 288.388 -0.236 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC2(CC1)OCCO2 ZINC000384058045 790531411 /nfs/dbraw/zinc/53/14/11/790531411.db2.gz YELICXKRNDVBSP-CYBMUJFWSA-N 2 2 288.388 -0.236 20 0 CBADLP COC[C@H](C)OC[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000385113680 790539213 /nfs/dbraw/zinc/53/92/13/790539213.db2.gz JKCBQTDHXOZKJA-MEBFFEOJSA-N 2 2 272.389 -0.109 20 0 CBADLP COC[C@H](C)OC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000385113680 790539217 /nfs/dbraw/zinc/53/92/17/790539217.db2.gz JKCBQTDHXOZKJA-MEBFFEOJSA-N 2 2 272.389 -0.109 20 0 CBADLP Cn1ncc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)n1 ZINC000385227213 790539364 /nfs/dbraw/zinc/53/93/64/790539364.db2.gz FNLDTSRJRIJAHG-GFCCVEGCSA-N 2 2 250.350 -0.705 20 0 CBADLP Cn1ncc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)n1 ZINC000385227213 790539371 /nfs/dbraw/zinc/53/93/71/790539371.db2.gz FNLDTSRJRIJAHG-GFCCVEGCSA-N 2 2 250.350 -0.705 20 0 CBADLP Cn1ncc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)n1 ZINC000385227234 790540417 /nfs/dbraw/zinc/54/04/17/790540417.db2.gz FNLDTSRJRIJAHG-LBPRGKRZSA-N 2 2 250.350 -0.705 20 0 CBADLP Cn1ncc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)n1 ZINC000385227234 790540429 /nfs/dbraw/zinc/54/04/29/790540429.db2.gz FNLDTSRJRIJAHG-LBPRGKRZSA-N 2 2 250.350 -0.705 20 0 CBADLP C[C@@H]1CCN(C[C@H](O)C[NH+]2CCOCC2)C[C@@H]1[NH3+] ZINC000386294562 790547209 /nfs/dbraw/zinc/54/72/09/790547209.db2.gz DOSFRNFGWXLEEM-UPJWGTAASA-N 2 2 257.378 -0.651 20 0 CBADLP Cc1nc(NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)nc(N)[nH+]1 ZINC000388907011 790562198 /nfs/dbraw/zinc/56/21/98/790562198.db2.gz NTUGTSMQCWLTAD-VHSXEESVSA-N 2 2 264.333 -0.710 20 0 CBADLP Cc1nc(NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)nc(N)[nH+]1 ZINC000388907011 790562203 /nfs/dbraw/zinc/56/22/03/790562203.db2.gz NTUGTSMQCWLTAD-VHSXEESVSA-N 2 2 264.333 -0.710 20 0 CBADLP Cc1nc(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nc(N)[nH+]1 ZINC000388907007 790558604 /nfs/dbraw/zinc/55/86/04/790558604.db2.gz NTUGTSMQCWLTAD-NXEZZACHSA-N 2 2 264.333 -0.710 20 0 CBADLP Cc1nc(NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)nc(N)[nH+]1 ZINC000388907007 790558614 /nfs/dbraw/zinc/55/86/14/790558614.db2.gz NTUGTSMQCWLTAD-NXEZZACHSA-N 2 2 264.333 -0.710 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000388877075 790559655 /nfs/dbraw/zinc/55/96/55/790559655.db2.gz RRDXHTRPCITSCI-IHRRRGAJSA-N 3 2 273.421 -0.158 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000388877075 790559662 /nfs/dbraw/zinc/55/96/62/790559662.db2.gz RRDXHTRPCITSCI-IHRRRGAJSA-N 3 2 273.421 -0.158 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000388877075 790559668 /nfs/dbraw/zinc/55/96/68/790559668.db2.gz RRDXHTRPCITSCI-IHRRRGAJSA-N 3 2 273.421 -0.158 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000388877075 790559675 /nfs/dbraw/zinc/55/96/75/790559675.db2.gz RRDXHTRPCITSCI-IHRRRGAJSA-N 3 2 273.421 -0.158 20 0 CBADLP O=S(=O)(N1CC[NH2+]CC1)N1CC[NH+](C2CCC2)CC1 ZINC000393266485 790570263 /nfs/dbraw/zinc/57/02/63/790570263.db2.gz WRNWJSXRLFHOTD-UHFFFAOYSA-N 2 2 288.417 -0.694 20 0 CBADLP CNC(=O)CN1CCC([NH2+][C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000396552776 790582300 /nfs/dbraw/zinc/58/23/00/790582300.db2.gz PMBVDKPFCFQZMO-AAEUAGOBSA-N 2 2 268.405 -0.073 20 0 CBADLP CNC(=O)C[NH+]1CCC(N[C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000396552776 790582303 /nfs/dbraw/zinc/58/23/03/790582303.db2.gz PMBVDKPFCFQZMO-AAEUAGOBSA-N 2 2 268.405 -0.073 20 0 CBADLP CS(=O)(=O)N1CC[C@H]([NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)C1 ZINC000400183724 790603322 /nfs/dbraw/zinc/60/33/22/790603322.db2.gz QIULIMDQWYOTET-RJRAAQABSA-N 2 2 285.413 -0.394 20 0 CBADLP C[C@@H]1OC[C@@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)[C@@H]1C ZINC000405711611 790618860 /nfs/dbraw/zinc/61/88/60/790618860.db2.gz GPWNSFFLXPZCIM-GRYCIOLGSA-N 2 2 255.362 -0.227 20 0 CBADLP CC1(C)C(=O)NCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000686243936 790650323 /nfs/dbraw/zinc/65/03/23/790650323.db2.gz MLSIBLUZTORIRV-JTQLQIEISA-N 2 2 253.346 -0.282 20 0 CBADLP CC1(C)C(=O)NCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000686243936 790650332 /nfs/dbraw/zinc/65/03/32/790650332.db2.gz MLSIBLUZTORIRV-JTQLQIEISA-N 2 2 253.346 -0.282 20 0 CBADLP C[C@@H]1C[N@@H+](CCN2CC[NH+](C)[C@@H](CO)C2)C[C@H](C)O1 ZINC000687595323 790659487 /nfs/dbraw/zinc/65/94/87/790659487.db2.gz YWDHLEBVDQONEQ-HZSPNIEDSA-N 2 2 271.405 -0.296 20 0 CBADLP C[C@@H]1C[N@H+](CCN2CC[NH+](C)[C@@H](CO)C2)C[C@H](C)O1 ZINC000687595323 790659494 /nfs/dbraw/zinc/65/94/94/790659494.db2.gz YWDHLEBVDQONEQ-HZSPNIEDSA-N 2 2 271.405 -0.296 20 0 CBADLP C[C@@H]1C[NH+](CCN2CC[N@H+](C)[C@@H](CO)C2)C[C@H](C)O1 ZINC000687595323 790659496 /nfs/dbraw/zinc/65/94/96/790659496.db2.gz YWDHLEBVDQONEQ-HZSPNIEDSA-N 2 2 271.405 -0.296 20 0 CBADLP C[C@@H]1C[NH+](CCN2CC[N@@H+](C)[C@@H](CO)C2)C[C@H](C)O1 ZINC000687595323 790659500 /nfs/dbraw/zinc/65/95/00/790659500.db2.gz YWDHLEBVDQONEQ-HZSPNIEDSA-N 2 2 271.405 -0.296 20 0 CBADLP C[C@@H]1C[NH+](CCN2CC[N@H+](C)[C@@H](CO)C2)C[C@@H](C)O1 ZINC000687595325 790659719 /nfs/dbraw/zinc/65/97/19/790659719.db2.gz YWDHLEBVDQONEQ-MGPQQGTHSA-N 2 2 271.405 -0.296 20 0 CBADLP C[C@@H]1C[NH+](CCN2CC[N@@H+](C)[C@@H](CO)C2)C[C@@H](C)O1 ZINC000687595325 790659725 /nfs/dbraw/zinc/65/97/25/790659725.db2.gz YWDHLEBVDQONEQ-MGPQQGTHSA-N 2 2 271.405 -0.296 20 0 CBADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCN1CCCS1(=O)=O ZINC000695077277 790687485 /nfs/dbraw/zinc/68/74/85/790687485.db2.gz ZJFWIDVFVBTAPG-WDEREUQCSA-N 2 2 261.391 -0.167 20 0 CBADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCN1CCCS1(=O)=O ZINC000695077277 790687490 /nfs/dbraw/zinc/68/74/90/790687490.db2.gz ZJFWIDVFVBTAPG-WDEREUQCSA-N 2 2 261.391 -0.167 20 0 CBADLP C[C@H]1C[N@H+](CCN2CCCS2(=O)=O)CC[C@H]1[NH3+] ZINC000695042675 790687109 /nfs/dbraw/zinc/68/71/09/790687109.db2.gz OHFFPCSZDUWVKP-WDEREUQCSA-N 2 2 261.391 -0.309 20 0 CBADLP C[C@H]1C[N@@H+](CCN2CCCS2(=O)=O)CC[C@H]1[NH3+] ZINC000695042675 790687110 /nfs/dbraw/zinc/68/71/10/790687110.db2.gz OHFFPCSZDUWVKP-WDEREUQCSA-N 2 2 261.391 -0.309 20 0 CBADLP C[NH+]1CCC(C(=O)N2CC[N@H+](C)C[C@@H]2CO)CC1 ZINC000699434623 790702994 /nfs/dbraw/zinc/70/29/94/790702994.db2.gz PJBSUYJJPXETJL-GFCCVEGCSA-N 2 2 255.362 -0.537 20 0 CBADLP C[NH+]1CCC(C(=O)N2CC[N@@H+](C)C[C@@H]2CO)CC1 ZINC000699434623 790703001 /nfs/dbraw/zinc/70/30/01/790703001.db2.gz PJBSUYJJPXETJL-GFCCVEGCSA-N 2 2 255.362 -0.537 20 0 CBADLP [NH3+]CCS(=O)(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000722225330 790790076 /nfs/dbraw/zinc/79/00/76/790790076.db2.gz DJFSIDVQAOLNEA-NSHDSACASA-N 2 2 277.390 -0.929 20 0 CBADLP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000828634924 790880037 /nfs/dbraw/zinc/88/00/37/790880037.db2.gz BCRDUADOINVCLW-DOMZBBRYSA-N 2 2 299.415 -0.643 20 0 CBADLP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000828634924 790880046 /nfs/dbraw/zinc/88/00/46/790880046.db2.gz BCRDUADOINVCLW-DOMZBBRYSA-N 2 2 299.415 -0.643 20 0 CBADLP Cn1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)n1 ZINC001021895480 790966358 /nfs/dbraw/zinc/96/63/58/790966358.db2.gz NQPMAOXCVZPYGE-AXFHLTTASA-N 2 2 293.375 -0.959 20 0 CBADLP Cn1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)n1 ZINC001021895480 790966365 /nfs/dbraw/zinc/96/63/65/790966365.db2.gz NQPMAOXCVZPYGE-AXFHLTTASA-N 2 2 293.375 -0.959 20 0 CBADLP NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001022229323 790998318 /nfs/dbraw/zinc/99/83/18/790998318.db2.gz BURNFDNZRFYVED-UTINFBMNSA-N 2 2 277.328 -0.765 20 0 CBADLP NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001022229323 790998320 /nfs/dbraw/zinc/99/83/20/790998320.db2.gz BURNFDNZRFYVED-UTINFBMNSA-N 2 2 277.328 -0.765 20 0 CBADLP O=C(N[C@H]1C[C@@H]([NH2+]CCO)C1)[C@H]1CCc2c[nH+]cn2C1 ZINC001022315820 791004336 /nfs/dbraw/zinc/00/43/36/791004336.db2.gz VTKYNFHNDHETOP-SDDRHHMPSA-N 2 2 278.356 -0.325 20 0 CBADLP NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001022692936 791041016 /nfs/dbraw/zinc/04/10/16/791041016.db2.gz TVEBCDSDPWMMKQ-KXUCPTDWSA-N 2 2 291.355 -0.448 20 0 CBADLP O=C(N[C@@H]1C[N@@H+](CCF)C[C@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001077007207 805671934 /nfs/dbraw/zinc/67/19/34/805671934.db2.gz DOAWRHPNEVRRRA-JHJVBQTASA-N 2 2 285.363 -0.541 20 0 CBADLP O=C(N[C@@H]1C[N@H+](CCF)C[C@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001077007207 805671943 /nfs/dbraw/zinc/67/19/43/805671943.db2.gz DOAWRHPNEVRRRA-JHJVBQTASA-N 2 2 285.363 -0.541 20 0 CBADLP CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001077237058 805703107 /nfs/dbraw/zinc/70/31/07/805703107.db2.gz WWUJDGNERVVOMV-IJLUTSLNSA-N 2 2 255.362 -0.348 20 0 CBADLP CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001077237058 805703113 /nfs/dbraw/zinc/70/31/13/805703113.db2.gz WWUJDGNERVVOMV-IJLUTSLNSA-N 2 2 255.362 -0.348 20 0 CBADLP CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001077237058 805703120 /nfs/dbraw/zinc/70/31/20/805703120.db2.gz WWUJDGNERVVOMV-IJLUTSLNSA-N 2 2 255.362 -0.348 20 0 CBADLP CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001077237058 805703125 /nfs/dbraw/zinc/70/31/25/805703125.db2.gz WWUJDGNERVVOMV-IJLUTSLNSA-N 2 2 255.362 -0.348 20 0 CBADLP Cc1nnc([C@@H](C)[NH2+]CCNC(=O)COCC[NH+](C)C)o1 ZINC001147892019 814924338 /nfs/dbraw/zinc/92/43/38/814924338.db2.gz GWCWYQUOVSTODR-SNVBAGLBSA-N 2 2 299.375 -0.277 20 0 CBADLP CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001077237057 805704100 /nfs/dbraw/zinc/70/41/00/805704100.db2.gz WWUJDGNERVVOMV-GRYCIOLGSA-N 2 2 255.362 -0.348 20 0 CBADLP CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001077237057 805704107 /nfs/dbraw/zinc/70/41/07/805704107.db2.gz WWUJDGNERVVOMV-GRYCIOLGSA-N 2 2 255.362 -0.348 20 0 CBADLP CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001077237057 805704112 /nfs/dbraw/zinc/70/41/12/805704112.db2.gz WWUJDGNERVVOMV-GRYCIOLGSA-N 2 2 255.362 -0.348 20 0 CBADLP CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001077237057 805704116 /nfs/dbraw/zinc/70/41/16/805704116.db2.gz WWUJDGNERVVOMV-GRYCIOLGSA-N 2 2 255.362 -0.348 20 0 CBADLP CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001077259342 805707928 /nfs/dbraw/zinc/70/79/28/805707928.db2.gz OIQGCFTZSCBPGK-QJPTWQEYSA-N 2 2 278.356 -0.373 20 0 CBADLP CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001077259342 805707930 /nfs/dbraw/zinc/70/79/30/805707930.db2.gz OIQGCFTZSCBPGK-QJPTWQEYSA-N 2 2 278.356 -0.373 20 0 CBADLP CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001078007078 805823914 /nfs/dbraw/zinc/82/39/14/805823914.db2.gz JTUZQPZTQBVCFL-CHWSQXEVSA-N 2 2 280.372 -0.076 20 0 CBADLP CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001078007078 805823923 /nfs/dbraw/zinc/82/39/23/805823923.db2.gz JTUZQPZTQBVCFL-CHWSQXEVSA-N 2 2 280.372 -0.076 20 0 CBADLP CO[C@H](C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001078080833 805830707 /nfs/dbraw/zinc/83/07/07/805830707.db2.gz HKANLQLSCNOWDZ-OASPWFOLSA-N 2 2 296.371 -0.543 20 0 CBADLP CO[C@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001078080833 805830714 /nfs/dbraw/zinc/83/07/14/805830714.db2.gz HKANLQLSCNOWDZ-OASPWFOLSA-N 2 2 296.371 -0.543 20 0 CBADLP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](C/C=C/Cl)C[C@H]2O)C1 ZINC001078175578 805847989 /nfs/dbraw/zinc/84/79/89/805847989.db2.gz BQXAXSDHJTVPDO-VFTMLMQFSA-N 2 2 287.791 -0.148 20 0 CBADLP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](C/C=C/Cl)C[C@H]2O)C1 ZINC001078175578 805847997 /nfs/dbraw/zinc/84/79/97/805847997.db2.gz BQXAXSDHJTVPDO-VFTMLMQFSA-N 2 2 287.791 -0.148 20 0 CBADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](C/C=C/Cl)C[C@H]2O)C1 ZINC001078175578 805848004 /nfs/dbraw/zinc/84/80/04/805848004.db2.gz BQXAXSDHJTVPDO-VFTMLMQFSA-N 2 2 287.791 -0.148 20 0 CBADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](C/C=C/Cl)C[C@H]2O)C1 ZINC001078175578 805848013 /nfs/dbraw/zinc/84/80/13/805848013.db2.gz BQXAXSDHJTVPDO-VFTMLMQFSA-N 2 2 287.791 -0.148 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@H]([NH2+]CCO)C12CCC2 ZINC001078761477 805889975 /nfs/dbraw/zinc/88/99/75/805889975.db2.gz MKUWFFFCUYNDPC-QWRGUYRKSA-N 2 2 278.356 -0.039 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@@H]([NH2+]CCO)C12CCC2 ZINC001078784406 805891109 /nfs/dbraw/zinc/89/11/09/805891109.db2.gz SKWMJFPFDMZICI-OLZOCXBDSA-N 2 2 292.383 -0.028 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NCC[NH2+]C[C@@H]1CCOC1 ZINC001147908469 814926923 /nfs/dbraw/zinc/92/69/23/814926923.db2.gz VMUIEOJCEYJCCV-NSHDSACASA-N 2 2 266.345 -0.295 20 0 CBADLP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)[C@H]1CCCC[NH+]1C ZINC001079968727 805954487 /nfs/dbraw/zinc/95/44/87/805954487.db2.gz NIECKQCWCPLSBZ-IJLUTSLNSA-N 2 2 282.388 -0.608 20 0 CBADLP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)[C@H]1CCCC[NH+]1C ZINC001079968727 805954494 /nfs/dbraw/zinc/95/44/94/805954494.db2.gz NIECKQCWCPLSBZ-IJLUTSLNSA-N 2 2 282.388 -0.608 20 0 CBADLP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001079968727 805954495 /nfs/dbraw/zinc/95/44/95/805954495.db2.gz NIECKQCWCPLSBZ-IJLUTSLNSA-N 2 2 282.388 -0.608 20 0 CBADLP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C ZINC001079968727 805954501 /nfs/dbraw/zinc/95/45/01/805954501.db2.gz NIECKQCWCPLSBZ-IJLUTSLNSA-N 2 2 282.388 -0.608 20 0 CBADLP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001080667826 806002403 /nfs/dbraw/zinc/00/24/03/806002403.db2.gz YWBJFGKSLNNEQQ-CHWSQXEVSA-N 2 2 296.415 -0.360 20 0 CBADLP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001080667826 806002414 /nfs/dbraw/zinc/00/24/14/806002414.db2.gz YWBJFGKSLNNEQQ-CHWSQXEVSA-N 2 2 296.415 -0.360 20 0 CBADLP C[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001080782693 806009681 /nfs/dbraw/zinc/00/96/81/806009681.db2.gz XFHTWEZUKINMGT-NQBHXWOUSA-N 2 2 280.372 -0.220 20 0 CBADLP C[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001080782693 806009689 /nfs/dbraw/zinc/00/96/89/806009689.db2.gz XFHTWEZUKINMGT-NQBHXWOUSA-N 2 2 280.372 -0.220 20 0 CBADLP C[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001080782694 806010024 /nfs/dbraw/zinc/01/00/24/806010024.db2.gz XFHTWEZUKINMGT-NTZNESFSSA-N 2 2 280.372 -0.220 20 0 CBADLP C[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001080782694 806010036 /nfs/dbraw/zinc/01/00/36/806010036.db2.gz XFHTWEZUKINMGT-NTZNESFSSA-N 2 2 280.372 -0.220 20 0 CBADLP COCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001081445896 806081838 /nfs/dbraw/zinc/08/18/38/806081838.db2.gz GFSXOGGLNPTEDW-JHJVBQTASA-N 2 2 285.388 -0.458 20 0 CBADLP COCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001081445896 806081846 /nfs/dbraw/zinc/08/18/46/806081846.db2.gz GFSXOGGLNPTEDW-JHJVBQTASA-N 2 2 285.388 -0.458 20 0 CBADLP COCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@H](OC)C1 ZINC001081445896 806081853 /nfs/dbraw/zinc/08/18/53/806081853.db2.gz GFSXOGGLNPTEDW-JHJVBQTASA-N 2 2 285.388 -0.458 20 0 CBADLP COCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@H](OC)C1 ZINC001081445896 806081863 /nfs/dbraw/zinc/08/18/63/806081863.db2.gz GFSXOGGLNPTEDW-JHJVBQTASA-N 2 2 285.388 -0.458 20 0 CBADLP C[C@@H]([NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C)C(N)=O ZINC001082673389 806189543 /nfs/dbraw/zinc/18/95/43/806189543.db2.gz LECYPLMXOVCNRK-IJLUTSLNSA-N 2 2 293.371 -0.417 20 0 CBADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH2+][C@@H]1CCNC1=O ZINC001082823188 806194809 /nfs/dbraw/zinc/19/48/09/806194809.db2.gz QKVGZTJRUAUGLI-GMTAPVOTSA-N 2 2 291.355 -0.723 20 0 CBADLP C[C@H]([NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C)C(N)=O ZINC001082823355 806195407 /nfs/dbraw/zinc/19/54/07/806195407.db2.gz FAQFKGADSUZBPS-KXUCPTDWSA-N 2 2 279.344 -0.738 20 0 CBADLP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001082861206 806196717 /nfs/dbraw/zinc/19/67/17/806196717.db2.gz OCEQOBVESYHLIN-NTZNESFSSA-N 2 2 280.372 -0.220 20 0 CBADLP CC[C@@H]([NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C)C(N)=O ZINC001082957598 806198678 /nfs/dbraw/zinc/19/86/78/806198678.db2.gz SLSIBDOWGOKGQV-IJLUTSLNSA-N 2 2 293.371 -0.417 20 0 CBADLP O=C(C[NH+]1CCCC1)N1CCO[C@@H]2C[N@@H+](CCCO)C[C@@H]21 ZINC001083275152 806243780 /nfs/dbraw/zinc/24/37/80/806243780.db2.gz QKBHXZPKXHFBAH-UONOGXRCSA-N 2 2 297.399 -0.624 20 0 CBADLP O=C(C[NH+]1CCCC1)N1CCO[C@@H]2C[N@H+](CCCO)C[C@@H]21 ZINC001083275152 806243791 /nfs/dbraw/zinc/24/37/91/806243791.db2.gz QKBHXZPKXHFBAH-UONOGXRCSA-N 2 2 297.399 -0.624 20 0 CBADLP C[C@@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)Cn3cc[nH+]c3)[C@H]2C1 ZINC001083290706 806245714 /nfs/dbraw/zinc/24/57/14/806245714.db2.gz QUNKUDUYNNQGNR-FRRDWIJNSA-N 2 2 294.355 -0.825 20 0 CBADLP C[C@@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)Cn3cc[nH+]c3)[C@H]2C1 ZINC001083290706 806245717 /nfs/dbraw/zinc/24/57/17/806245717.db2.gz QUNKUDUYNNQGNR-FRRDWIJNSA-N 2 2 294.355 -0.825 20 0 CBADLP O=C(N[C@@H]1C[N@@H+](CCF)C[C@@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001083465421 806335512 /nfs/dbraw/zinc/33/55/12/806335512.db2.gz DOAWRHPNEVRRRA-UPJWGTAASA-N 2 2 285.363 -0.541 20 0 CBADLP O=C(N[C@@H]1C[N@H+](CCF)C[C@@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001083465421 806335519 /nfs/dbraw/zinc/33/55/19/806335519.db2.gz DOAWRHPNEVRRRA-UPJWGTAASA-N 2 2 285.363 -0.541 20 0 CBADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCO)C[C@@H]1O ZINC001083571672 806366670 /nfs/dbraw/zinc/36/66/70/806366670.db2.gz HIDKSZMLKZKXON-AGIUHOORSA-N 2 2 285.388 -0.986 20 0 CBADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCO)C[C@@H]1O ZINC001083571672 806366680 /nfs/dbraw/zinc/36/66/80/806366680.db2.gz HIDKSZMLKZKXON-AGIUHOORSA-N 2 2 285.388 -0.986 20 0 CBADLP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001083571672 806366690 /nfs/dbraw/zinc/36/66/90/806366690.db2.gz HIDKSZMLKZKXON-AGIUHOORSA-N 2 2 285.388 -0.986 20 0 CBADLP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001083571672 806366701 /nfs/dbraw/zinc/36/67/01/806366701.db2.gz HIDKSZMLKZKXON-AGIUHOORSA-N 2 2 285.388 -0.986 20 0 CBADLP CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@@H](O)C1 ZINC001083580116 806371164 /nfs/dbraw/zinc/37/11/64/806371164.db2.gz QWHPWBSANKMUEJ-RTXFEEFZSA-N 2 2 278.356 -0.373 20 0 CBADLP CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@@H](O)C1 ZINC001083580116 806371173 /nfs/dbraw/zinc/37/11/73/806371173.db2.gz QWHPWBSANKMUEJ-RTXFEEFZSA-N 2 2 278.356 -0.373 20 0 CBADLP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCF)C[C@@H]2O)CC1 ZINC001083749925 806423299 /nfs/dbraw/zinc/42/32/99/806423299.db2.gz XDCSUBKJHWOHOU-NEPJUHHUSA-N 2 2 273.352 -0.541 20 0 CBADLP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCF)C[C@@H]2O)CC1 ZINC001083749925 806423303 /nfs/dbraw/zinc/42/33/03/806423303.db2.gz XDCSUBKJHWOHOU-NEPJUHHUSA-N 2 2 273.352 -0.541 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@H+](CCCF)C[C@@H]1O ZINC001083954367 806468344 /nfs/dbraw/zinc/46/83/44/806468344.db2.gz WWOGNZRTYPMAGR-NEPJUHHUSA-N 2 2 284.335 -0.517 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@@H+](CCCF)C[C@@H]1O ZINC001083954367 806468350 /nfs/dbraw/zinc/46/83/50/806468350.db2.gz WWOGNZRTYPMAGR-NEPJUHHUSA-N 2 2 284.335 -0.517 20 0 CBADLP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCF)C[C@@H]2O)C1 ZINC001084054094 806481448 /nfs/dbraw/zinc/48/14/48/806481448.db2.gz WJEWSNGXSXWTHW-AXFHLTTASA-N 2 2 259.325 -0.931 20 0 CBADLP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCF)C[C@@H]2O)C1 ZINC001084054094 806481451 /nfs/dbraw/zinc/48/14/51/806481451.db2.gz WJEWSNGXSXWTHW-AXFHLTTASA-N 2 2 259.325 -0.931 20 0 CBADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCF)C[C@@H]2O)C1 ZINC001084054094 806481459 /nfs/dbraw/zinc/48/14/59/806481459.db2.gz WJEWSNGXSXWTHW-AXFHLTTASA-N 2 2 259.325 -0.931 20 0 CBADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCF)C[C@@H]2O)C1 ZINC001084054094 806481465 /nfs/dbraw/zinc/48/14/65/806481465.db2.gz WJEWSNGXSXWTHW-AXFHLTTASA-N 2 2 259.325 -0.931 20 0 CBADLP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](C/C=C/Cl)C[C@@H]2O)C1 ZINC001084056522 806482383 /nfs/dbraw/zinc/48/23/83/806482383.db2.gz BQXAXSDHJTVPDO-CSNCVVISSA-N 2 2 287.791 -0.148 20 0 CBADLP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](C/C=C/Cl)C[C@@H]2O)C1 ZINC001084056522 806482384 /nfs/dbraw/zinc/48/23/84/806482384.db2.gz BQXAXSDHJTVPDO-CSNCVVISSA-N 2 2 287.791 -0.148 20 0 CBADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](C/C=C/Cl)C[C@@H]2O)C1 ZINC001084056522 806482388 /nfs/dbraw/zinc/48/23/88/806482388.db2.gz BQXAXSDHJTVPDO-CSNCVVISSA-N 2 2 287.791 -0.148 20 0 CBADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](C/C=C/Cl)C[C@@H]2O)C1 ZINC001084056522 806482391 /nfs/dbraw/zinc/48/23/91/806482391.db2.gz BQXAXSDHJTVPDO-CSNCVVISSA-N 2 2 287.791 -0.148 20 0 CBADLP CC(C)[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001084115433 806491593 /nfs/dbraw/zinc/49/15/93/806491593.db2.gz PTQYHIRMDKYAAN-MNOVXSKESA-N 2 2 252.318 -0.547 20 0 CBADLP CC(C)[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001084115433 806491598 /nfs/dbraw/zinc/49/15/98/806491598.db2.gz PTQYHIRMDKYAAN-MNOVXSKESA-N 2 2 252.318 -0.547 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@@H+](CC2CCC2)C[C@@H]1O ZINC001084115474 806492219 /nfs/dbraw/zinc/49/22/19/806492219.db2.gz SJPIVIVHOJIOMQ-OLZOCXBDSA-N 2 2 278.356 -0.156 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@H+](CC2CCC2)C[C@@H]1O ZINC001084115474 806492224 /nfs/dbraw/zinc/49/22/24/806492224.db2.gz SJPIVIVHOJIOMQ-OLZOCXBDSA-N 2 2 278.356 -0.156 20 0 CBADLP O=C(CCn1cc[nH+]c1)N1C[C@H]2CC[N@@H+](CCO)C[C@H]21 ZINC001084561122 806522034 /nfs/dbraw/zinc/52/20/34/806522034.db2.gz TYAZLLOVBAYXLM-CHWSQXEVSA-N 2 2 278.356 -0.202 20 0 CBADLP O=C(CCn1cc[nH+]c1)N1C[C@H]2CC[N@H+](CCO)C[C@H]21 ZINC001084561122 806522047 /nfs/dbraw/zinc/52/20/47/806522047.db2.gz TYAZLLOVBAYXLM-CHWSQXEVSA-N 2 2 278.356 -0.202 20 0 CBADLP C[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001084687034 806532784 /nfs/dbraw/zinc/53/27/84/806532784.db2.gz HTZIRTYMBXYHAV-DMDPSCGWSA-N 2 2 278.356 -0.134 20 0 CBADLP C[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001084687034 806532792 /nfs/dbraw/zinc/53/27/92/806532792.db2.gz HTZIRTYMBXYHAV-DMDPSCGWSA-N 2 2 278.356 -0.134 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[NH+](CC(N)=O)[C@H]2C1 ZINC001084905882 806542218 /nfs/dbraw/zinc/54/22/18/806542218.db2.gz RRERPPMFZRLNLJ-UPJWGTAASA-N 2 2 294.399 -0.511 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[NH+](CC(N)=O)[C@H]2C1 ZINC001084905882 806542219 /nfs/dbraw/zinc/54/22/19/806542219.db2.gz RRERPPMFZRLNLJ-UPJWGTAASA-N 2 2 294.399 -0.511 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[N@H+](CC(N)=O)[C@H]2C1 ZINC001084905882 806542220 /nfs/dbraw/zinc/54/22/20/806542220.db2.gz RRERPPMFZRLNLJ-UPJWGTAASA-N 2 2 294.399 -0.511 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[N@@H+](CC(N)=O)[C@H]2C1 ZINC001084905882 806542223 /nfs/dbraw/zinc/54/22/23/806542223.db2.gz RRERPPMFZRLNLJ-UPJWGTAASA-N 2 2 294.399 -0.511 20 0 CBADLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1[nH]cc[nH+]1)C(N)=O ZINC001085374013 806553331 /nfs/dbraw/zinc/55/33/31/806553331.db2.gz UEUHCCAWBAVWEY-HBNTYKKESA-N 2 2 293.371 -0.157 20 0 CBADLP CN(C[C@@H]1CC[N@@H+]1CCO)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001085681597 806593343 /nfs/dbraw/zinc/59/33/43/806593343.db2.gz AWRAGCKQZXBWBV-OCCSQVGLSA-N 2 2 292.383 -0.030 20 0 CBADLP CN(C[C@@H]1CC[N@H+]1CCO)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001085681597 806593347 /nfs/dbraw/zinc/59/33/47/806593347.db2.gz AWRAGCKQZXBWBV-OCCSQVGLSA-N 2 2 292.383 -0.030 20 0 CBADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N(C)C[C@@H]2CC[NH+]2CCO)C1 ZINC001085782240 806609480 /nfs/dbraw/zinc/60/94/80/806609480.db2.gz PQZWJMWDLGLTDC-UONOGXRCSA-N 2 2 299.415 -0.379 20 0 CBADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N(C)C[C@@H]2CC[NH+]2CCO)C1 ZINC001085782240 806609486 /nfs/dbraw/zinc/60/94/86/806609486.db2.gz PQZWJMWDLGLTDC-UONOGXRCSA-N 2 2 299.415 -0.379 20 0 CBADLP CC(C)[NH+]1CCO[C@@H](C(=O)N(C)C[C@@H]2CC[N@@H+]2CCO)C1 ZINC001085782240 806609493 /nfs/dbraw/zinc/60/94/93/806609493.db2.gz PQZWJMWDLGLTDC-UONOGXRCSA-N 2 2 299.415 -0.379 20 0 CBADLP CC(C)[NH+]1CCO[C@@H](C(=O)N(C)C[C@@H]2CC[N@H+]2CCO)C1 ZINC001085782240 806609498 /nfs/dbraw/zinc/60/94/98/806609498.db2.gz PQZWJMWDLGLTDC-UONOGXRCSA-N 2 2 299.415 -0.379 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001085968583 806626438 /nfs/dbraw/zinc/62/64/38/806626438.db2.gz LMCUSRZRDAWMSJ-VXGBXAGGSA-N 2 2 282.388 -0.783 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001085968583 806626441 /nfs/dbraw/zinc/62/64/41/806626441.db2.gz LMCUSRZRDAWMSJ-VXGBXAGGSA-N 2 2 282.388 -0.783 20 0 CBADLP CNC(=O)C[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001085968583 806626445 /nfs/dbraw/zinc/62/64/45/806626445.db2.gz LMCUSRZRDAWMSJ-VXGBXAGGSA-N 2 2 282.388 -0.783 20 0 CBADLP CNC(=O)C[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001085968583 806626449 /nfs/dbraw/zinc/62/64/49/806626449.db2.gz LMCUSRZRDAWMSJ-VXGBXAGGSA-N 2 2 282.388 -0.783 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)N(C)C[C@H]2CC[NH+]2CCOC)C1 ZINC001085980275 806630469 /nfs/dbraw/zinc/63/04/69/806630469.db2.gz MMOZTQZAJZGQKZ-ZIAGYGMSSA-N 2 2 299.415 -0.114 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)N(C)C[C@H]2CC[NH+]2CCOC)C1 ZINC001085980275 806630474 /nfs/dbraw/zinc/63/04/74/806630474.db2.gz MMOZTQZAJZGQKZ-ZIAGYGMSSA-N 2 2 299.415 -0.114 20 0 CBADLP CC[NH+]1CCO[C@@H](C(=O)N(C)C[C@H]2CC[N@@H+]2CCOC)C1 ZINC001085980275 806630479 /nfs/dbraw/zinc/63/04/79/806630479.db2.gz MMOZTQZAJZGQKZ-ZIAGYGMSSA-N 2 2 299.415 -0.114 20 0 CBADLP CC[NH+]1CCO[C@@H](C(=O)N(C)C[C@H]2CC[N@H+]2CCOC)C1 ZINC001085980275 806630485 /nfs/dbraw/zinc/63/04/85/806630485.db2.gz MMOZTQZAJZGQKZ-ZIAGYGMSSA-N 2 2 299.415 -0.114 20 0 CBADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001022734385 798839901 /nfs/dbraw/zinc/83/99/01/798839901.db2.gz UFUWDBIOLMXXCQ-LMLFDSFASA-N 2 2 291.355 -0.754 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001022889040 798863249 /nfs/dbraw/zinc/86/32/49/798863249.db2.gz WWWLIJVGXVLXJQ-KXUCPTDWSA-N 2 2 277.328 -0.923 20 0 CBADLP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1)C(N)=O ZINC001022886948 798864122 /nfs/dbraw/zinc/86/41/22/798864122.db2.gz UHCVIHGZPJRCGZ-HLTSFMKQSA-N 2 2 265.317 -0.937 20 0 CBADLP CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1)C(N)=O ZINC001022889756 798865359 /nfs/dbraw/zinc/86/53/59/798865359.db2.gz YWVVRSFEACDCOH-KXUCPTDWSA-N 2 2 279.344 -0.547 20 0 CBADLP CNC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001024365499 798934324 /nfs/dbraw/zinc/93/43/24/798934324.db2.gz BHWFCEUAESZGGC-STQMWFEESA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001024365499 798934327 /nfs/dbraw/zinc/93/43/27/798934327.db2.gz BHWFCEUAESZGGC-STQMWFEESA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001024365499 798934328 /nfs/dbraw/zinc/93/43/28/798934328.db2.gz BHWFCEUAESZGGC-STQMWFEESA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001024365499 798934330 /nfs/dbraw/zinc/93/43/30/798934330.db2.gz BHWFCEUAESZGGC-STQMWFEESA-N 2 2 296.415 -0.203 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2CC[C@H]([NH2+]CCO)[C@@H]2C1 ZINC001026366985 799001993 /nfs/dbraw/zinc/00/19/93/799001993.db2.gz RSQAOBLBBSTODP-UHTWSYAYSA-N 2 2 278.356 -0.229 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]2CC[C@@H]([NH2+]CCO)[C@H]2C1 ZINC001026389272 799002686 /nfs/dbraw/zinc/00/26/86/799002686.db2.gz ZBECVWDORYZCLA-SDDRHHMPSA-N 2 2 278.356 -0.229 20 0 CBADLP C[C@H]([NH2+]C1CCC(NC(=O)Cc2c[nH]c[nH+]2)CC1)C(N)=O ZINC001026567984 799009753 /nfs/dbraw/zinc/00/97/53/799009753.db2.gz NFFYZMOOWBDPLU-WHXUTIOJSA-N 2 2 293.371 -0.157 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001027140316 799031820 /nfs/dbraw/zinc/03/18/20/799031820.db2.gz CLWJJBXSNXQBRZ-QWRGUYRKSA-N 2 2 291.355 -0.721 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001027140317 799032838 /nfs/dbraw/zinc/03/28/38/799032838.db2.gz CLWJJBXSNXQBRZ-WDEREUQCSA-N 2 2 291.355 -0.721 20 0 CBADLP C[N@H+](CC(N)=O)[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001027514650 799053166 /nfs/dbraw/zinc/05/31/66/799053166.db2.gz PKEVPJFIOFSICD-GFCCVEGCSA-N 2 2 293.371 -0.319 20 0 CBADLP C[N@@H+](CC(N)=O)[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001027514650 799053170 /nfs/dbraw/zinc/05/31/70/799053170.db2.gz PKEVPJFIOFSICD-GFCCVEGCSA-N 2 2 293.371 -0.319 20 0 CBADLP C[N@H+](CCO)[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001027594429 799057860 /nfs/dbraw/zinc/05/78/60/799057860.db2.gz HMQDSCMLADLFQR-GFCCVEGCSA-N 2 2 266.345 -0.133 20 0 CBADLP C[N@@H+](CCO)[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001027594429 799057864 /nfs/dbraw/zinc/05/78/64/799057864.db2.gz HMQDSCMLADLFQR-GFCCVEGCSA-N 2 2 266.345 -0.133 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@H]([N@H+](C)CC(N)=O)C1 ZINC001027651836 799063603 /nfs/dbraw/zinc/06/36/03/799063603.db2.gz OGVUUIBYBVJHPN-NSHDSACASA-N 2 2 293.371 -0.629 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@H]([N@@H+](C)CC(N)=O)C1 ZINC001027651836 799063608 /nfs/dbraw/zinc/06/36/08/799063608.db2.gz OGVUUIBYBVJHPN-NSHDSACASA-N 2 2 293.371 -0.629 20 0 CBADLP O=C(NC[C@@H]1CC[N@@H+](CCO)C1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001028638583 799156475 /nfs/dbraw/zinc/15/64/75/799156475.db2.gz LWSBDYQOLLJORP-QWHCGFSZSA-N 2 2 292.383 -0.124 20 0 CBADLP O=C(NC[C@@H]1CC[N@H+](CCO)C1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001028638583 799156479 /nfs/dbraw/zinc/15/64/79/799156479.db2.gz LWSBDYQOLLJORP-QWHCGFSZSA-N 2 2 292.383 -0.124 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3CCCO)C1 ZINC001029256855 799193047 /nfs/dbraw/zinc/19/30/47/799193047.db2.gz NVKXDPQHGXPCPG-MJBXVCDLSA-N 2 2 297.399 -0.625 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3CCCO)C1 ZINC001029256855 799193049 /nfs/dbraw/zinc/19/30/49/799193049.db2.gz NVKXDPQHGXPCPG-MJBXVCDLSA-N 2 2 297.399 -0.625 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CCCO)C1 ZINC001029256855 799193051 /nfs/dbraw/zinc/19/30/51/799193051.db2.gz NVKXDPQHGXPCPG-MJBXVCDLSA-N 2 2 297.399 -0.625 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCO)C1 ZINC001029256855 799193054 /nfs/dbraw/zinc/19/30/54/799193054.db2.gz NVKXDPQHGXPCPG-MJBXVCDLSA-N 2 2 297.399 -0.625 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3CCO)C1 ZINC001029589425 799204592 /nfs/dbraw/zinc/20/45/92/799204592.db2.gz JTLBKXSAIFPUMH-MJBXVCDLSA-N 2 2 297.399 -0.625 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3CCO)C1 ZINC001029589425 799204594 /nfs/dbraw/zinc/20/45/94/799204594.db2.gz JTLBKXSAIFPUMH-MJBXVCDLSA-N 2 2 297.399 -0.625 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CCO)C1 ZINC001029589425 799204599 /nfs/dbraw/zinc/20/45/99/799204599.db2.gz JTLBKXSAIFPUMH-MJBXVCDLSA-N 2 2 297.399 -0.625 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCO)C1 ZINC001029589425 799204606 /nfs/dbraw/zinc/20/46/06/799204606.db2.gz JTLBKXSAIFPUMH-MJBXVCDLSA-N 2 2 297.399 -0.625 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001030032346 799215320 /nfs/dbraw/zinc/21/53/20/799215320.db2.gz ZJTAIQXCGOAIKN-RWMBFGLXSA-N 2 2 296.415 -0.075 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001030032346 799215322 /nfs/dbraw/zinc/21/53/22/799215322.db2.gz ZJTAIQXCGOAIKN-RWMBFGLXSA-N 2 2 296.415 -0.075 20 0 CBADLP CC[C@@H](C(N)=O)[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001030032346 799215325 /nfs/dbraw/zinc/21/53/25/799215325.db2.gz ZJTAIQXCGOAIKN-RWMBFGLXSA-N 2 2 296.415 -0.075 20 0 CBADLP CC[C@@H](C(N)=O)[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001030032346 799215327 /nfs/dbraw/zinc/21/53/27/799215327.db2.gz ZJTAIQXCGOAIKN-RWMBFGLXSA-N 2 2 296.415 -0.075 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)NC2C[NH+](CC[C@H]3CCOC3)C2)C1 ZINC001030185101 799260553 /nfs/dbraw/zinc/26/05/53/799260553.db2.gz ZMHHMLCQTRKGOJ-JSGCOSHPSA-N 2 2 297.399 -0.456 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)NC2C[NH+](CC[C@H]3CCOC3)C2)C1 ZINC001030185101 799260557 /nfs/dbraw/zinc/26/05/57/799260557.db2.gz ZMHHMLCQTRKGOJ-JSGCOSHPSA-N 2 2 297.399 -0.456 20 0 CBADLP O=C(NC1C[NH+](CCCO)C1)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001030345479 799300098 /nfs/dbraw/zinc/30/00/98/799300098.db2.gz FOSYHYWZFXSXHU-QWHCGFSZSA-N 2 2 283.372 -0.968 20 0 CBADLP O=C(NC1C[NH+](CCCO)C1)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001030345479 799300105 /nfs/dbraw/zinc/30/01/05/799300105.db2.gz FOSYHYWZFXSXHU-QWHCGFSZSA-N 2 2 283.372 -0.968 20 0 CBADLP COCC[NH+]1CC(NC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001030345694 799300423 /nfs/dbraw/zinc/30/04/23/799300423.db2.gz GDXQVHKATUQBBO-CHWSQXEVSA-N 2 2 283.372 -0.704 20 0 CBADLP COCC[NH+]1CC(NC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001030345694 799300431 /nfs/dbraw/zinc/30/04/31/799300431.db2.gz GDXQVHKATUQBBO-CHWSQXEVSA-N 2 2 283.372 -0.704 20 0 CBADLP COC[C@@H](C)[NH+]1CC(NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001030839714 799394090 /nfs/dbraw/zinc/39/40/90/799394090.db2.gz QZYSVWVOHZCLKR-OCCSQVGLSA-N 2 2 299.415 -0.069 20 0 CBADLP COC[C@@H](C)[NH+]1CC(NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001030839714 799394100 /nfs/dbraw/zinc/39/41/00/799394100.db2.gz QZYSVWVOHZCLKR-OCCSQVGLSA-N 2 2 299.415 -0.069 20 0 CBADLP C[C@@H](O)C[NH+]1CC(NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001030959188 799417742 /nfs/dbraw/zinc/41/77/42/799417742.db2.gz FIOJWWXVUWOZBS-GHMZBOCLSA-N 2 2 255.362 -0.491 20 0 CBADLP C[C@@H](O)C[NH+]1CC(NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001030959188 799417747 /nfs/dbraw/zinc/41/77/47/799417747.db2.gz FIOJWWXVUWOZBS-GHMZBOCLSA-N 2 2 255.362 -0.491 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC1C[NH+](CCCO)C1 ZINC001030964862 799419902 /nfs/dbraw/zinc/41/99/02/799419902.db2.gz XDMWCAAZXCEAOJ-ZYHUDNBSSA-N 2 2 255.362 -0.633 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC1C[NH+](CCCO)C1 ZINC001030964862 799419907 /nfs/dbraw/zinc/41/99/07/799419907.db2.gz XDMWCAAZXCEAOJ-ZYHUDNBSSA-N 2 2 255.362 -0.633 20 0 CBADLP C[C@H](O)C[NH+]1CC(NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001031083537 799436584 /nfs/dbraw/zinc/43/65/84/799436584.db2.gz LFFJCFXPQCVNER-NSHDSACASA-N 2 2 295.387 -0.761 20 0 CBADLP CO[C@H](C)C[NH+]1CC(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001031265931 799466112 /nfs/dbraw/zinc/46/61/12/799466112.db2.gz LOVLPBXPZDQBMR-LLVKDONJSA-N 2 2 267.373 -0.083 20 0 CBADLP Cn1c[nH+]cc1CN1CC(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001031383714 799480971 /nfs/dbraw/zinc/48/09/71/799480971.db2.gz JSVQAIQEBFLMDF-LLVKDONJSA-N 2 2 277.372 -0.328 20 0 CBADLP Cn1c[nH+]cc1CN1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001031383714 799480976 /nfs/dbraw/zinc/48/09/76/799480976.db2.gz JSVQAIQEBFLMDF-LLVKDONJSA-N 2 2 277.372 -0.328 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC1C[NH+](C[C@@H]2CCOC2)C1 ZINC001031477263 799492907 /nfs/dbraw/zinc/49/29/07/799492907.db2.gz WMYSGWGHDLOBEU-NSHDSACASA-N 2 2 264.329 -0.280 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC(=O)NC2CC2)C1 ZINC001031580488 799512622 /nfs/dbraw/zinc/51/26/22/799512622.db2.gz TUMWYKIKVKURRX-ZDUSSCGKSA-N 2 2 294.399 -0.593 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC(=O)NC2CC2)C1 ZINC001031580488 799512624 /nfs/dbraw/zinc/51/26/24/799512624.db2.gz TUMWYKIKVKURRX-ZDUSSCGKSA-N 2 2 294.399 -0.593 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001031578454 799512756 /nfs/dbraw/zinc/51/27/56/799512756.db2.gz YEEMHGYKBHFEJP-MWLCHTKSSA-N 2 2 268.361 -0.998 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001031578454 799512758 /nfs/dbraw/zinc/51/27/58/799512758.db2.gz YEEMHGYKBHFEJP-MWLCHTKSSA-N 2 2 268.361 -0.998 20 0 CBADLP CNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001031666698 799530212 /nfs/dbraw/zinc/53/02/12/799530212.db2.gz RGCSLLVQQIFTMX-ZDUSSCGKSA-N 2 2 296.415 -0.347 20 0 CBADLP CNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001031666698 799530215 /nfs/dbraw/zinc/53/02/15/799530215.db2.gz RGCSLLVQQIFTMX-ZDUSSCGKSA-N 2 2 296.415 -0.347 20 0 CBADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001031667152 799530477 /nfs/dbraw/zinc/53/04/77/799530477.db2.gz ZSSMUNBPANCKBK-LBPRGKRZSA-N 2 2 282.388 -0.608 20 0 CBADLP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001031667152 799530481 /nfs/dbraw/zinc/53/04/81/799530481.db2.gz ZSSMUNBPANCKBK-LBPRGKRZSA-N 2 2 282.388 -0.608 20 0 CBADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001031714754 799536201 /nfs/dbraw/zinc/53/62/01/799536201.db2.gz MBAUOQULPRLXNT-WCQYABFASA-N 2 2 296.415 -0.217 20 0 CBADLP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001031714754 799536203 /nfs/dbraw/zinc/53/62/03/799536203.db2.gz MBAUOQULPRLXNT-WCQYABFASA-N 2 2 296.415 -0.217 20 0 CBADLP CC(C)C[N@@H+]1CC[C@@H](C(=O)NCC2C[NH+](CC(N)=O)C2)C1 ZINC001031729921 799537815 /nfs/dbraw/zinc/53/78/15/799537815.db2.gz WKNMZQJKEAODMU-CYBMUJFWSA-N 2 2 296.415 -0.502 20 0 CBADLP CC(C)C[N@H+]1CC[C@@H](C(=O)NCC2C[NH+](CC(N)=O)C2)C1 ZINC001031729921 799537817 /nfs/dbraw/zinc/53/78/17/799537817.db2.gz WKNMZQJKEAODMU-CYBMUJFWSA-N 2 2 296.415 -0.502 20 0 CBADLP C[C@H](O)C[NH+]1CC(CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001031800160 799545150 /nfs/dbraw/zinc/54/51/50/799545150.db2.gz UXMJXWOXAPZASK-JTQLQIEISA-N 2 2 296.371 -0.221 20 0 CBADLP O=C(NCC1C[NH+](CCF)C1)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001031856821 799552522 /nfs/dbraw/zinc/55/25/22/799552522.db2.gz JIQAKQOCYKTJAD-GLWUULTISA-N 2 2 297.374 -0.133 20 0 CBADLP O=C(NCC1C[NH+](CCF)C1)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001031856821 799552527 /nfs/dbraw/zinc/55/25/27/799552527.db2.gz JIQAKQOCYKTJAD-GLWUULTISA-N 2 2 297.374 -0.133 20 0 CBADLP CNC(=O)C[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001031920982 799562765 /nfs/dbraw/zinc/56/27/65/799562765.db2.gz DNODAMHGTMVVRL-AAEUAGOBSA-N 2 2 296.415 -0.489 20 0 CBADLP CNC(=O)C[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001031920982 799562773 /nfs/dbraw/zinc/56/27/73/799562773.db2.gz DNODAMHGTMVVRL-AAEUAGOBSA-N 2 2 296.415 -0.489 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001031947216 799565148 /nfs/dbraw/zinc/56/51/48/799565148.db2.gz CQWKOUUQYVBLNJ-JTQLQIEISA-N 2 2 282.388 -0.750 20 0 CBADLP C[C@H](O)C[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001031987147 799569650 /nfs/dbraw/zinc/56/96/50/799569650.db2.gz VKKHKJGYIDXKJX-CYZMBNFOSA-N 2 2 292.383 -0.048 20 0 CBADLP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCC2C[NH+](CC(N)=O)C2)C1 ZINC001032128638 799584749 /nfs/dbraw/zinc/58/47/49/799584749.db2.gz IUXQNFNVJWHHQN-OLZOCXBDSA-N 2 2 296.415 -0.360 20 0 CBADLP Cn1nccc1C[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001032182555 799590074 /nfs/dbraw/zinc/59/00/74/799590074.db2.gz NGXCWVXYNWIOCH-ZDUSSCGKSA-N 2 2 291.399 -0.080 20 0 CBADLP Cn1nccc1C[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001032182555 799590078 /nfs/dbraw/zinc/59/00/78/799590078.db2.gz NGXCWVXYNWIOCH-ZDUSSCGKSA-N 2 2 291.399 -0.080 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCCF)C1 ZINC001032331947 799615254 /nfs/dbraw/zinc/61/52/54/799615254.db2.gz NDMHSCOYVSBHCK-AVGNSLFASA-N 2 2 285.363 -0.038 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCCF)C1 ZINC001032331947 799615257 /nfs/dbraw/zinc/61/52/57/799615257.db2.gz NDMHSCOYVSBHCK-AVGNSLFASA-N 2 2 285.363 -0.038 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCCF)C1 ZINC001032331947 799615260 /nfs/dbraw/zinc/61/52/60/799615260.db2.gz NDMHSCOYVSBHCK-AVGNSLFASA-N 2 2 285.363 -0.038 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCCF)C1 ZINC001032331947 799615264 /nfs/dbraw/zinc/61/52/64/799615264.db2.gz NDMHSCOYVSBHCK-AVGNSLFASA-N 2 2 285.363 -0.038 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H](C)O ZINC001032521937 799637236 /nfs/dbraw/zinc/63/72/36/799637236.db2.gz NKKXANDXTBVYHE-AGIUHOORSA-N 2 2 278.356 -0.143 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H](C)O ZINC001032521937 799637240 /nfs/dbraw/zinc/63/72/40/799637240.db2.gz NKKXANDXTBVYHE-AGIUHOORSA-N 2 2 278.356 -0.143 20 0 CBADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCO)C1 ZINC001032587501 799645016 /nfs/dbraw/zinc/64/50/16/799645016.db2.gz JCMKMPPQBWTUKU-MELADBBJSA-N 2 2 297.399 -0.627 20 0 CBADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCO)C1 ZINC001032587501 799645019 /nfs/dbraw/zinc/64/50/19/799645019.db2.gz JCMKMPPQBWTUKU-MELADBBJSA-N 2 2 297.399 -0.627 20 0 CBADLP CC(C)[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCO)C1 ZINC001032587501 799645022 /nfs/dbraw/zinc/64/50/22/799645022.db2.gz JCMKMPPQBWTUKU-MELADBBJSA-N 2 2 297.399 -0.627 20 0 CBADLP CC(C)[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCO)C1 ZINC001032587501 799645024 /nfs/dbraw/zinc/64/50/24/799645024.db2.gz JCMKMPPQBWTUKU-MELADBBJSA-N 2 2 297.399 -0.627 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2C[C@H]1C[N@H+]2CCCO ZINC001032651259 799652497 /nfs/dbraw/zinc/65/24/97/799652497.db2.gz NXFJSGGAITUUFZ-RYUDHWBXSA-N 2 2 264.329 -0.380 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCO ZINC001032651259 799652500 /nfs/dbraw/zinc/65/25/00/799652500.db2.gz NXFJSGGAITUUFZ-RYUDHWBXSA-N 2 2 264.329 -0.380 20 0 CBADLP C[C@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+]1CCOCC1 ZINC001032684456 799655668 /nfs/dbraw/zinc/65/56/68/799655668.db2.gz QPXLZPWSPZZTKK-IHRRRGAJSA-N 2 2 297.399 -0.625 20 0 CBADLP C[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+]1CCOCC1 ZINC001032684456 799655671 /nfs/dbraw/zinc/65/56/71/799655671.db2.gz QPXLZPWSPZZTKK-IHRRRGAJSA-N 2 2 297.399 -0.625 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H](C)O ZINC001032753891 799663715 /nfs/dbraw/zinc/66/37/15/799663715.db2.gz QUOFTNJJMZBGIH-DLOVCJGASA-N 2 2 278.356 -0.073 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@H](C)O ZINC001032753891 799663717 /nfs/dbraw/zinc/66/37/17/799663717.db2.gz QUOFTNJJMZBGIH-DLOVCJGASA-N 2 2 278.356 -0.073 20 0 CBADLP C[C@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1 ZINC001032814901 799670507 /nfs/dbraw/zinc/67/05/07/799670507.db2.gz OOSHCQPEXIKNNA-SRVKXCTJSA-N 2 2 264.329 -0.451 20 0 CBADLP C[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1 ZINC001032814901 799670512 /nfs/dbraw/zinc/67/05/12/799670512.db2.gz OOSHCQPEXIKNNA-SRVKXCTJSA-N 2 2 264.329 -0.451 20 0 CBADLP C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001032828385 799674683 /nfs/dbraw/zinc/67/46/83/799674683.db2.gz SLGWEEJMCCMPMQ-RWMBFGLXSA-N 2 2 296.415 -0.252 20 0 CBADLP C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001032828385 799674688 /nfs/dbraw/zinc/67/46/88/799674688.db2.gz SLGWEEJMCCMPMQ-RWMBFGLXSA-N 2 2 296.415 -0.252 20 0 CBADLP C[C@@H](C(=O)N(C)C)[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001032828385 799674691 /nfs/dbraw/zinc/67/46/91/799674691.db2.gz SLGWEEJMCCMPMQ-RWMBFGLXSA-N 2 2 296.415 -0.252 20 0 CBADLP C[C@@H](C(=O)N(C)C)[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001032828385 799674695 /nfs/dbraw/zinc/67/46/95/799674695.db2.gz SLGWEEJMCCMPMQ-RWMBFGLXSA-N 2 2 296.415 -0.252 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001032838412 799677528 /nfs/dbraw/zinc/67/75/28/799677528.db2.gz UPRYPCMWESRQCZ-GRYCIOLGSA-N 2 2 282.388 -0.465 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001032838412 799677533 /nfs/dbraw/zinc/67/75/33/799677533.db2.gz UPRYPCMWESRQCZ-GRYCIOLGSA-N 2 2 282.388 -0.465 20 0 CBADLP CC[C@@H](C(N)=O)[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001032838412 799677538 /nfs/dbraw/zinc/67/75/38/799677538.db2.gz UPRYPCMWESRQCZ-GRYCIOLGSA-N 2 2 282.388 -0.465 20 0 CBADLP CC[C@@H](C(N)=O)[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001032838412 799677543 /nfs/dbraw/zinc/67/75/43/799677543.db2.gz UPRYPCMWESRQCZ-GRYCIOLGSA-N 2 2 282.388 -0.465 20 0 CBADLP CN(C)C(=O)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001032959486 799696548 /nfs/dbraw/zinc/69/65/48/799696548.db2.gz HHIBOIMJNIDWGS-STQMWFEESA-N 2 2 296.415 -0.299 20 0 CBADLP CN(C)C(=O)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001032959486 799696552 /nfs/dbraw/zinc/69/65/52/799696552.db2.gz HHIBOIMJNIDWGS-STQMWFEESA-N 2 2 296.415 -0.299 20 0 CBADLP CN(C)C(=O)C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001032959486 799696554 /nfs/dbraw/zinc/69/65/54/799696554.db2.gz HHIBOIMJNIDWGS-STQMWFEESA-N 2 2 296.415 -0.299 20 0 CBADLP CN(C)C(=O)C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001032959486 799696558 /nfs/dbraw/zinc/69/65/58/799696558.db2.gz HHIBOIMJNIDWGS-STQMWFEESA-N 2 2 296.415 -0.299 20 0 CBADLP CN(C(=O)[C@H]1CCn2cc[nH+]c2C1)[C@@H]1CC[N@H+](CCO)C1 ZINC001033213331 799728040 /nfs/dbraw/zinc/72/80/40/799728040.db2.gz ZUVYXAJKEWLHNK-QWHCGFSZSA-N 2 2 292.383 -0.030 20 0 CBADLP CN(C(=O)[C@H]1CCn2cc[nH+]c2C1)[C@@H]1CC[N@@H+](CCO)C1 ZINC001033213331 799728043 /nfs/dbraw/zinc/72/80/43/799728043.db2.gz ZUVYXAJKEWLHNK-QWHCGFSZSA-N 2 2 292.383 -0.030 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N(C)[C@@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001033267787 799733445 /nfs/dbraw/zinc/73/34/45/799733445.db2.gz VYPQKXSUCCXAQY-VXGBXAGGSA-N 2 2 293.371 -0.402 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N(C)[C@@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001033267787 799733448 /nfs/dbraw/zinc/73/34/48/799733448.db2.gz VYPQKXSUCCXAQY-VXGBXAGGSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@@H]1CCC[N@@H+]1CC(=O)N(C)[C@H]1CC[NH+](CC(N)=O)C1 ZINC001033414650 799751810 /nfs/dbraw/zinc/75/18/10/799751810.db2.gz DEPANJZUBGFPSB-NEPJUHHUSA-N 2 2 282.388 -0.511 20 0 CBADLP C[C@@H]1CCC[N@H+]1CC(=O)N(C)[C@H]1CC[NH+](CC(N)=O)C1 ZINC001033414650 799751814 /nfs/dbraw/zinc/75/18/14/799751814.db2.gz DEPANJZUBGFPSB-NEPJUHHUSA-N 2 2 282.388 -0.511 20 0 CBADLP C[C@@H]1CCC[NH+]1CC(=O)N(C)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033414650 799751819 /nfs/dbraw/zinc/75/18/19/799751819.db2.gz DEPANJZUBGFPSB-NEPJUHHUSA-N 2 2 282.388 -0.511 20 0 CBADLP C[C@@H]1CCC[NH+]1CC(=O)N(C)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033414650 799751823 /nfs/dbraw/zinc/75/18/23/799751823.db2.gz DEPANJZUBGFPSB-NEPJUHHUSA-N 2 2 282.388 -0.511 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001033454720 799756699 /nfs/dbraw/zinc/75/66/99/799756699.db2.gz GHSAAITVMROARE-NWDGAFQWSA-N 2 2 293.371 -0.251 20 0 CBADLP CC[C@H](C(N)=O)[N@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001033454720 799756702 /nfs/dbraw/zinc/75/67/02/799756702.db2.gz GHSAAITVMROARE-NWDGAFQWSA-N 2 2 293.371 -0.251 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033656766 799776217 /nfs/dbraw/zinc/77/62/17/799776217.db2.gz FDSDFZAUTGHGDS-GFCCVEGCSA-N 2 2 282.388 -0.639 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033656766 799776224 /nfs/dbraw/zinc/77/62/24/799776224.db2.gz FDSDFZAUTGHGDS-GFCCVEGCSA-N 2 2 282.388 -0.639 20 0 CBADLP CN(C)C(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033656890 799776661 /nfs/dbraw/zinc/77/66/61/799776661.db2.gz FWXXPZUNHIINBX-CYBMUJFWSA-N 2 2 296.415 -0.297 20 0 CBADLP CN(C)C(=O)C[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033656890 799776663 /nfs/dbraw/zinc/77/66/63/799776663.db2.gz FWXXPZUNHIINBX-CYBMUJFWSA-N 2 2 296.415 -0.297 20 0 CBADLP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CC(N)=O)C1 ZINC001033684387 799780439 /nfs/dbraw/zinc/78/04/39/799780439.db2.gz DYVJVHDHCJNHBL-STQMWFEESA-N 2 2 296.415 -0.121 20 0 CBADLP CC[N@H+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CC(N)=O)C1 ZINC001033684387 799780444 /nfs/dbraw/zinc/78/04/44/799780444.db2.gz DYVJVHDHCJNHBL-STQMWFEESA-N 2 2 296.415 -0.121 20 0 CBADLP CC[NH+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033684387 799780451 /nfs/dbraw/zinc/78/04/51/799780451.db2.gz DYVJVHDHCJNHBL-STQMWFEESA-N 2 2 296.415 -0.121 20 0 CBADLP CC[NH+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033684387 799780454 /nfs/dbraw/zinc/78/04/54/799780454.db2.gz DYVJVHDHCJNHBL-STQMWFEESA-N 2 2 296.415 -0.121 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001033704631 799782931 /nfs/dbraw/zinc/78/29/31/799782931.db2.gz YPQUUTQVVPBMAQ-VXGBXAGGSA-N 2 2 293.371 -0.450 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001033704631 799782936 /nfs/dbraw/zinc/78/29/36/799782936.db2.gz YPQUUTQVVPBMAQ-VXGBXAGGSA-N 2 2 293.371 -0.450 20 0 CBADLP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033778265 799790486 /nfs/dbraw/zinc/79/04/86/799790486.db2.gz ZKVJDGJBLICQRC-NEPJUHHUSA-N 2 2 282.388 -0.511 20 0 CBADLP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033778265 799790489 /nfs/dbraw/zinc/79/04/89/799790489.db2.gz ZKVJDGJBLICQRC-NEPJUHHUSA-N 2 2 282.388 -0.511 20 0 CBADLP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001033778265 799790490 /nfs/dbraw/zinc/79/04/90/799790490.db2.gz ZKVJDGJBLICQRC-NEPJUHHUSA-N 2 2 282.388 -0.511 20 0 CBADLP CCN(C(=O)[C@@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001033778265 799790494 /nfs/dbraw/zinc/79/04/94/799790494.db2.gz ZKVJDGJBLICQRC-NEPJUHHUSA-N 2 2 282.388 -0.511 20 0 CBADLP CCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@H]1CC[N@H+](CCCO)C1 ZINC001033789016 799790839 /nfs/dbraw/zinc/79/08/39/799790839.db2.gz LSSSIZSXPNGZQG-UONOGXRCSA-N 2 2 299.415 -0.378 20 0 CBADLP CCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@H]1CC[N@@H+](CCCO)C1 ZINC001033789016 799790843 /nfs/dbraw/zinc/79/08/43/799790843.db2.gz LSSSIZSXPNGZQG-UONOGXRCSA-N 2 2 299.415 -0.378 20 0 CBADLP CCN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@H]1CC[NH+](CCCO)C1 ZINC001033789016 799790848 /nfs/dbraw/zinc/79/08/48/799790848.db2.gz LSSSIZSXPNGZQG-UONOGXRCSA-N 2 2 299.415 -0.378 20 0 CBADLP CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@H]1CC[NH+](CCCO)C1 ZINC001033789016 799790854 /nfs/dbraw/zinc/79/08/54/799790854.db2.gz LSSSIZSXPNGZQG-UONOGXRCSA-N 2 2 299.415 -0.378 20 0 CBADLP CCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033926353 799799332 /nfs/dbraw/zinc/79/93/32/799799332.db2.gz BRFHUTSTIMGZPZ-OLZOCXBDSA-N 2 2 296.415 -0.121 20 0 CBADLP CCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033926353 799799335 /nfs/dbraw/zinc/79/93/35/799799335.db2.gz BRFHUTSTIMGZPZ-OLZOCXBDSA-N 2 2 296.415 -0.121 20 0 CBADLP CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001033926353 799799339 /nfs/dbraw/zinc/79/93/39/799799339.db2.gz BRFHUTSTIMGZPZ-OLZOCXBDSA-N 2 2 296.415 -0.121 20 0 CBADLP CCN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001033926353 799799342 /nfs/dbraw/zinc/79/93/42/799799342.db2.gz BRFHUTSTIMGZPZ-OLZOCXBDSA-N 2 2 296.415 -0.121 20 0 CBADLP CNC(=O)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001034129119 799814506 /nfs/dbraw/zinc/81/45/06/799814506.db2.gz AHHUXMGJSUMWPE-OLZOCXBDSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001034129119 799814512 /nfs/dbraw/zinc/81/45/12/799814512.db2.gz AHHUXMGJSUMWPE-OLZOCXBDSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001034129119 799814517 /nfs/dbraw/zinc/81/45/17/799814517.db2.gz AHHUXMGJSUMWPE-OLZOCXBDSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001034129119 799814523 /nfs/dbraw/zinc/81/45/23/799814523.db2.gz AHHUXMGJSUMWPE-OLZOCXBDSA-N 2 2 296.415 -0.203 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[NH+](CCO)C2)C1 ZINC001034149208 799816483 /nfs/dbraw/zinc/81/64/83/799816483.db2.gz TXQNVJDXGMZYSU-OLZOCXBDSA-N 2 2 285.388 -0.720 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[NH+](CCO)C2)C1 ZINC001034149208 799816491 /nfs/dbraw/zinc/81/64/91/799816491.db2.gz TXQNVJDXGMZYSU-OLZOCXBDSA-N 2 2 285.388 -0.720 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2CCCC[N@H+](CCO)C2)C1 ZINC001034149208 799816500 /nfs/dbraw/zinc/81/65/00/799816500.db2.gz TXQNVJDXGMZYSU-OLZOCXBDSA-N 2 2 285.388 -0.720 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2CCCC[N@@H+](CCO)C2)C1 ZINC001034149208 799816508 /nfs/dbraw/zinc/81/65/08/799816508.db2.gz TXQNVJDXGMZYSU-OLZOCXBDSA-N 2 2 285.388 -0.720 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CCCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001034546457 799846219 /nfs/dbraw/zinc/84/62/19/799846219.db2.gz DQHXCFUBYADYBS-NEPJUHHUSA-N 2 2 293.371 -0.272 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CCCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001034546457 799846225 /nfs/dbraw/zinc/84/62/25/799846225.db2.gz DQHXCFUBYADYBS-NEPJUHHUSA-N 2 2 293.371 -0.272 20 0 CBADLP C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC1)C(N)=O ZINC001034761979 799856468 /nfs/dbraw/zinc/85/64/68/799856468.db2.gz XBLVJDKCIWHBCU-DCAQKATOSA-N 2 2 293.371 -0.157 20 0 CBADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH+](CCO)CCO1 ZINC001035360801 799905896 /nfs/dbraw/zinc/90/58/96/799905896.db2.gz GWAXYXYCAAEQBV-KBPBESRZSA-N 2 2 299.415 -0.332 20 0 CBADLP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH+](CCO)CCO1 ZINC001035360801 799905904 /nfs/dbraw/zinc/90/59/04/799905904.db2.gz GWAXYXYCAAEQBV-KBPBESRZSA-N 2 2 299.415 -0.332 20 0 CBADLP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001035360801 799905907 /nfs/dbraw/zinc/90/59/07/799905907.db2.gz GWAXYXYCAAEQBV-KBPBESRZSA-N 2 2 299.415 -0.332 20 0 CBADLP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001035360801 799905913 /nfs/dbraw/zinc/90/59/13/799905913.db2.gz GWAXYXYCAAEQBV-KBPBESRZSA-N 2 2 299.415 -0.332 20 0 CBADLP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CCCO)CCO1 ZINC001035418224 799917123 /nfs/dbraw/zinc/91/71/23/799917123.db2.gz WXHWQCQCDXRXRH-ZIAGYGMSSA-N 2 2 299.415 -0.330 20 0 CBADLP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CCCO)CCO1 ZINC001035418224 799917128 /nfs/dbraw/zinc/91/71/28/799917128.db2.gz WXHWQCQCDXRXRH-ZIAGYGMSSA-N 2 2 299.415 -0.330 20 0 CBADLP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CCCO)CCO1 ZINC001035418224 799917133 /nfs/dbraw/zinc/91/71/33/799917133.db2.gz WXHWQCQCDXRXRH-ZIAGYGMSSA-N 2 2 299.415 -0.330 20 0 CBADLP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CCCO)CCO1 ZINC001035418224 799917137 /nfs/dbraw/zinc/91/71/37/799917137.db2.gz WXHWQCQCDXRXRH-ZIAGYGMSSA-N 2 2 299.415 -0.330 20 0 CBADLP COCC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001035418108 799917870 /nfs/dbraw/zinc/91/78/70/799917870.db2.gz WNOOHFPDALQQFZ-KBPBESRZSA-N 2 2 299.415 -0.066 20 0 CBADLP COCC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001035418108 799917876 /nfs/dbraw/zinc/91/78/76/799917876.db2.gz WNOOHFPDALQQFZ-KBPBESRZSA-N 2 2 299.415 -0.066 20 0 CBADLP COCC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001035418108 799917879 /nfs/dbraw/zinc/91/78/79/799917879.db2.gz WNOOHFPDALQQFZ-KBPBESRZSA-N 2 2 299.415 -0.066 20 0 CBADLP COCC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001035418108 799917883 /nfs/dbraw/zinc/91/78/83/799917883.db2.gz WNOOHFPDALQQFZ-KBPBESRZSA-N 2 2 299.415 -0.066 20 0 CBADLP CC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001035425503 799920024 /nfs/dbraw/zinc/92/00/24/799920024.db2.gz UGTHVAOTQHWSPW-FRRDWIJNSA-N 2 2 285.388 -0.458 20 0 CBADLP CC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001035425503 799920028 /nfs/dbraw/zinc/92/00/28/799920028.db2.gz UGTHVAOTQHWSPW-FRRDWIJNSA-N 2 2 285.388 -0.458 20 0 CBADLP CC[NH+]1CCO[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001035425503 799920032 /nfs/dbraw/zinc/92/00/32/799920032.db2.gz UGTHVAOTQHWSPW-FRRDWIJNSA-N 2 2 285.388 -0.458 20 0 CBADLP CC[NH+]1CCO[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001035425503 799920045 /nfs/dbraw/zinc/92/00/45/799920045.db2.gz UGTHVAOTQHWSPW-FRRDWIJNSA-N 2 2 285.388 -0.458 20 0 CBADLP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[NH+](CCO)CCO1 ZINC001035607917 799951280 /nfs/dbraw/zinc/95/12/80/799951280.db2.gz BUAZKPFQNYUPFW-KBPBESRZSA-N 2 2 299.415 -0.330 20 0 CBADLP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[NH+](CCO)CCO1 ZINC001035607917 799951285 /nfs/dbraw/zinc/95/12/85/799951285.db2.gz BUAZKPFQNYUPFW-KBPBESRZSA-N 2 2 299.415 -0.330 20 0 CBADLP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001035607917 799951288 /nfs/dbraw/zinc/95/12/88/799951288.db2.gz BUAZKPFQNYUPFW-KBPBESRZSA-N 2 2 299.415 -0.330 20 0 CBADLP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001035607917 799951292 /nfs/dbraw/zinc/95/12/92/799951292.db2.gz BUAZKPFQNYUPFW-KBPBESRZSA-N 2 2 299.415 -0.330 20 0 CBADLP CCC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001035606831 799952116 /nfs/dbraw/zinc/95/21/16/799952116.db2.gz IZHBSSWLASEJGZ-UONOGXRCSA-N 2 2 299.415 -0.066 20 0 CBADLP CCC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001035606831 799952125 /nfs/dbraw/zinc/95/21/25/799952125.db2.gz IZHBSSWLASEJGZ-UONOGXRCSA-N 2 2 299.415 -0.066 20 0 CBADLP CCC[NH+]1CCO[C@@H](CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001035606831 799952132 /nfs/dbraw/zinc/95/21/32/799952132.db2.gz IZHBSSWLASEJGZ-UONOGXRCSA-N 2 2 299.415 -0.066 20 0 CBADLP CCC[NH+]1CCO[C@@H](CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001035606831 799952140 /nfs/dbraw/zinc/95/21/40/799952140.db2.gz IZHBSSWLASEJGZ-UONOGXRCSA-N 2 2 299.415 -0.066 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N2CCC3(C[NH+](CCO)C3)CC2)C1 ZINC001035679260 799956993 /nfs/dbraw/zinc/95/69/93/799956993.db2.gz HRNRSRMHOHJCPL-CYBMUJFWSA-N 2 2 297.399 -0.766 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N2CCC3(C[NH+](CCO)C3)CC2)C1 ZINC001035679260 799956998 /nfs/dbraw/zinc/95/69/98/799956998.db2.gz HRNRSRMHOHJCPL-CYBMUJFWSA-N 2 2 297.399 -0.766 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCC2(C[NH+](CC(N)=O)C2)CC1 ZINC001035668838 799957948 /nfs/dbraw/zinc/95/79/48/799957948.db2.gz LJJGJAJFKMLTDN-LBPRGKRZSA-N 2 2 294.399 -0.510 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)N1CCC2(C[NH+](CC(N)=O)C2)CC1 ZINC001035668838 799957952 /nfs/dbraw/zinc/95/79/52/799957952.db2.gz LJJGJAJFKMLTDN-LBPRGKRZSA-N 2 2 294.399 -0.510 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CCC2(C[NH+](CCO)C2)CC1 ZINC001035804888 799963525 /nfs/dbraw/zinc/96/35/25/799963525.db2.gz VJKRKCXSMLDLAZ-UHFFFAOYSA-N 2 2 278.356 -0.131 20 0 CBADLP C[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[C@@H]1[NH2+]CC(N)=O ZINC001036014953 799974047 /nfs/dbraw/zinc/97/40/47/799974047.db2.gz LDDUSKCPRGTNRE-QWRGUYRKSA-N 2 2 293.371 -0.346 20 0 CBADLP C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@@H]1[NH2+]CCO ZINC001036315605 799986207 /nfs/dbraw/zinc/98/62/07/799986207.db2.gz XYHALHLVFFTPHQ-RYUDHWBXSA-N 2 2 266.345 -0.298 20 0 CBADLP NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC[C@H]21 ZINC001036851863 800009876 /nfs/dbraw/zinc/00/98/76/800009876.db2.gz SNYQSJUVPOXNRQ-GHMZBOCLSA-N 2 2 291.355 -0.640 20 0 CBADLP NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC[C@H]21 ZINC001036851863 800009883 /nfs/dbraw/zinc/00/98/83/800009883.db2.gz SNYQSJUVPOXNRQ-GHMZBOCLSA-N 2 2 291.355 -0.640 20 0 CBADLP CC[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@@H]1[NH2+]CC(N)=O ZINC001037941650 800025250 /nfs/dbraw/zinc/02/52/50/800025250.db2.gz GEBBREJMBYAXKR-QWRGUYRKSA-N 2 2 293.371 -0.346 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CC[NH+]2CCCF)C1 ZINC001038137281 800061203 /nfs/dbraw/zinc/06/12/03/800061203.db2.gz OWSYURIPZACLPH-NWDGAFQWSA-N 2 2 273.352 -0.133 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CC[NH+]2CCCF)C1 ZINC001038137281 800061211 /nfs/dbraw/zinc/06/12/11/800061211.db2.gz OWSYURIPZACLPH-NWDGAFQWSA-N 2 2 273.352 -0.133 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CC[N@@H+]2CCCF)C1 ZINC001038137281 800061220 /nfs/dbraw/zinc/06/12/20/800061220.db2.gz OWSYURIPZACLPH-NWDGAFQWSA-N 2 2 273.352 -0.133 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CC[N@H+]2CCCF)C1 ZINC001038137281 800061229 /nfs/dbraw/zinc/06/12/29/800061229.db2.gz OWSYURIPZACLPH-NWDGAFQWSA-N 2 2 273.352 -0.133 20 0 CBADLP COCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001038622848 801228024 /nfs/dbraw/zinc/22/80/24/801228024.db2.gz AUIOMGJJHKEQKX-ZIAGYGMSSA-N 2 2 299.415 -0.068 20 0 CBADLP COCC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001038622848 801228028 /nfs/dbraw/zinc/22/80/28/801228028.db2.gz AUIOMGJJHKEQKX-ZIAGYGMSSA-N 2 2 299.415 -0.068 20 0 CBADLP COCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001038622848 801228035 /nfs/dbraw/zinc/22/80/35/801228035.db2.gz AUIOMGJJHKEQKX-ZIAGYGMSSA-N 2 2 299.415 -0.068 20 0 CBADLP COCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001038622848 801228036 /nfs/dbraw/zinc/22/80/36/801228036.db2.gz AUIOMGJJHKEQKX-ZIAGYGMSSA-N 2 2 299.415 -0.068 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CC[NH+]2CCOC)C1 ZINC001039041344 801284252 /nfs/dbraw/zinc/28/42/52/801284252.db2.gz XWVZBESPDNBQCL-QWHCGFSZSA-N 2 2 285.388 -0.456 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CC[NH+]2CCOC)C1 ZINC001039041344 801284259 /nfs/dbraw/zinc/28/42/59/801284259.db2.gz XWVZBESPDNBQCL-QWHCGFSZSA-N 2 2 285.388 -0.456 20 0 CBADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CC[N@@H+]2CCOC)C1 ZINC001039041344 801284261 /nfs/dbraw/zinc/28/42/61/801284261.db2.gz XWVZBESPDNBQCL-QWHCGFSZSA-N 2 2 285.388 -0.456 20 0 CBADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CC[N@H+]2CCOC)C1 ZINC001039041344 801284267 /nfs/dbraw/zinc/28/42/67/801284267.db2.gz XWVZBESPDNBQCL-QWHCGFSZSA-N 2 2 285.388 -0.456 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@]2(CC[N@H+](CCO)C2)C1 ZINC001041786141 801420540 /nfs/dbraw/zinc/42/05/40/801420540.db2.gz DRZARHXAWRBRSU-OAHLLOKOSA-N 2 2 292.383 -0.121 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@]2(CC[N@@H+](CCO)C2)C1 ZINC001041786141 801420548 /nfs/dbraw/zinc/42/05/48/801420548.db2.gz DRZARHXAWRBRSU-OAHLLOKOSA-N 2 2 292.383 -0.121 20 0 CBADLP NC(=O)C[N@@H+]1CC[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC001042246451 801453626 /nfs/dbraw/zinc/45/36/26/801453626.db2.gz FFKDKUWRIKISOA-JQWIXIFHSA-N 2 2 291.355 -0.640 20 0 CBADLP NC(=O)C[N@H+]1CC[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC001042246451 801453632 /nfs/dbraw/zinc/45/36/32/801453632.db2.gz FFKDKUWRIKISOA-JQWIXIFHSA-N 2 2 291.355 -0.640 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2CC[N@@H+](CCO)[C@H]2C1 ZINC001042385768 801460679 /nfs/dbraw/zinc/46/06/79/801460679.db2.gz WMEAOQNEDNVIIJ-OLZOCXBDSA-N 2 2 278.356 -0.202 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2CC[N@H+](CCO)[C@H]2C1 ZINC001042385768 801460683 /nfs/dbraw/zinc/46/06/83/801460683.db2.gz WMEAOQNEDNVIIJ-OLZOCXBDSA-N 2 2 278.356 -0.202 20 0 CBADLP CN(C(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1)C1C[NH+](CCO)C1 ZINC001042718779 801512728 /nfs/dbraw/zinc/51/27/28/801512728.db2.gz USUNQFOOJDOOHG-OLZOCXBDSA-N 2 2 281.400 -0.004 20 0 CBADLP CN(C(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1)C1C[NH+](CCO)C1 ZINC001042718779 801512734 /nfs/dbraw/zinc/51/27/34/801512734.db2.gz USUNQFOOJDOOHG-OLZOCXBDSA-N 2 2 281.400 -0.004 20 0 CBADLP CN(C(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1)C1C[NH+](CCO)C1 ZINC001042718780 801513740 /nfs/dbraw/zinc/51/37/40/801513740.db2.gz USUNQFOOJDOOHG-QWHCGFSZSA-N 2 2 281.400 -0.004 20 0 CBADLP CN(C(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1)C1C[NH+](CCO)C1 ZINC001042718780 801513746 /nfs/dbraw/zinc/51/37/46/801513746.db2.gz USUNQFOOJDOOHG-QWHCGFSZSA-N 2 2 281.400 -0.004 20 0 CBADLP C[C@@H](O)C[NH+]1CC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001043099877 801539855 /nfs/dbraw/zinc/53/98/55/801539855.db2.gz RBFOQPFIUBJYSR-YPMHNXCESA-N 2 2 269.389 -0.006 20 0 CBADLP C[C@@H](O)C[NH+]1CC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001043099877 801539863 /nfs/dbraw/zinc/53/98/63/801539863.db2.gz RBFOQPFIUBJYSR-YPMHNXCESA-N 2 2 269.389 -0.006 20 0 CBADLP C[C@@H](O)C[NH+]1CC(N(C)C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001043869642 801598158 /nfs/dbraw/zinc/59/81/58/801598158.db2.gz MEKLRKUMYKMJNQ-NWDGAFQWSA-N 2 2 269.389 -0.006 20 0 CBADLP C[C@@H](O)C[NH+]1CC(N(C)C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001043869642 801598163 /nfs/dbraw/zinc/59/81/63/801598163.db2.gz MEKLRKUMYKMJNQ-NWDGAFQWSA-N 2 2 269.389 -0.006 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N(C)C1C[NH+](CCO)C1 ZINC001043883549 801600406 /nfs/dbraw/zinc/60/04/06/801600406.db2.gz YBAITYBHOOCHTH-PWSUYJOCSA-N 2 2 255.362 -0.681 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)C1C[NH+](CCO)C1 ZINC001043883549 801600408 /nfs/dbraw/zinc/60/04/08/801600408.db2.gz YBAITYBHOOCHTH-PWSUYJOCSA-N 2 2 255.362 -0.681 20 0 CBADLP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1C[NH+](CCO)C1 ZINC001044187101 801627783 /nfs/dbraw/zinc/62/77/83/801627783.db2.gz WMIAGNQQVAACQQ-NSHDSACASA-N 2 2 255.362 -0.537 20 0 CBADLP CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1C[NH+](CCO)C1 ZINC001044187101 801627784 /nfs/dbraw/zinc/62/77/84/801627784.db2.gz WMIAGNQQVAACQQ-NSHDSACASA-N 2 2 255.362 -0.537 20 0 CBADLP COCC[NH+]1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001044292264 801638082 /nfs/dbraw/zinc/63/80/82/801638082.db2.gz KTNMZOSRSGOKHL-LLVKDONJSA-N 2 2 255.362 -0.273 20 0 CBADLP COCC[NH+]1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001044292264 801638086 /nfs/dbraw/zinc/63/80/86/801638086.db2.gz KTNMZOSRSGOKHL-LLVKDONJSA-N 2 2 255.362 -0.273 20 0 CBADLP C[C@H]1C[C@H]([NH2+]CC(N)=O)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001044579582 801657936 /nfs/dbraw/zinc/65/79/36/801657936.db2.gz JEOSFWBAESFAOH-WDEREUQCSA-N 2 2 293.371 -0.203 20 0 CBADLP C[C@H]1C[C@H]([NH2+]CC(N)=O)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001044623800 801660697 /nfs/dbraw/zinc/66/06/97/801660697.db2.gz DVHQUFNCAQEFQB-WDEREUQCSA-N 2 2 293.371 -0.203 20 0 CBADLP C[C@H]1C[C@H]([NH2+]CC(N)=O)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001044623800 801660700 /nfs/dbraw/zinc/66/07/00/801660700.db2.gz DVHQUFNCAQEFQB-WDEREUQCSA-N 2 2 293.371 -0.203 20 0 CBADLP C[C@H]1C[C@H]([NH2+]CC(N)=O)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001044750459 801667341 /nfs/dbraw/zinc/66/73/41/801667341.db2.gz OQNYJFRQADMXPU-VHSXEESVSA-N 2 2 279.344 -0.593 20 0 CBADLP C[C@H]1C[C@@H]([NH2+]CC(N)=O)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001044801407 801670574 /nfs/dbraw/zinc/67/05/74/801670574.db2.gz XHYFWBYNUFNLOE-UWVGGRQHSA-N 2 2 279.344 -0.593 20 0 CBADLP C[C@H]1C[C@H]([NH2+]CCO)CCN1C(=O)Cc1c[nH+]cn1C ZINC001044819850 801671794 /nfs/dbraw/zinc/67/17/94/801671794.db2.gz NBWOVSBAZYJEOE-NWDGAFQWSA-N 2 2 280.372 -0.076 20 0 CBADLP C[C@@H]1C[C@H]([NH2+]CC(N)=O)CCN1C(=O)Cc1c[nH+]cn1C ZINC001044819273 801671914 /nfs/dbraw/zinc/67/19/14/801671914.db2.gz JVNHPCKDDCJEFM-GHMZBOCLSA-N 2 2 293.371 -0.583 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]([NH2+]CC(N)=O)C[C@H]1C ZINC001044844118 801673015 /nfs/dbraw/zinc/67/30/15/801673015.db2.gz YPRJRMKCWHLVRO-KOLCDFICSA-N 2 2 293.371 -0.285 20 0 CBADLP C[C@@H]1C[C@@H]([NH2+]CC(N)=O)CCN1C(=O)Cn1cc[nH+]c1 ZINC001044878279 801675279 /nfs/dbraw/zinc/67/52/79/801675279.db2.gz LFQLXMPELBUCLN-MNOVXSKESA-N 2 2 279.344 -0.663 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@]1(C)CC[NH+](CC(N)=O)C1 ZINC001046196932 801738639 /nfs/dbraw/zinc/73/86/39/801738639.db2.gz HJEIHRRAMOQEAC-ZWNOBZJWSA-N 2 2 268.361 -0.854 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@]1(C)CC[NH+](CC(N)=O)C1 ZINC001046196932 801738642 /nfs/dbraw/zinc/73/86/42/801738642.db2.gz HJEIHRRAMOQEAC-ZWNOBZJWSA-N 2 2 268.361 -0.854 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)N[C@]1(C)CC[N@H+](CC(N)=O)C1 ZINC001046196932 801738644 /nfs/dbraw/zinc/73/86/44/801738644.db2.gz HJEIHRRAMOQEAC-ZWNOBZJWSA-N 2 2 268.361 -0.854 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)N[C@]1(C)CC[N@@H+](CC(N)=O)C1 ZINC001046196932 801738647 /nfs/dbraw/zinc/73/86/47/801738647.db2.gz HJEIHRRAMOQEAC-ZWNOBZJWSA-N 2 2 268.361 -0.854 20 0 CBADLP CN(C)C(=O)C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001046198451 801738932 /nfs/dbraw/zinc/73/89/32/801738932.db2.gz VKZRKXUZMXJDCP-DOMZBBRYSA-N 2 2 296.415 -0.251 20 0 CBADLP CN(C)C(=O)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001046198451 801738936 /nfs/dbraw/zinc/73/89/36/801738936.db2.gz VKZRKXUZMXJDCP-DOMZBBRYSA-N 2 2 296.415 -0.251 20 0 CBADLP CN(C)C(=O)C[NH+]1CC[C@](C)(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001046198451 801738941 /nfs/dbraw/zinc/73/89/41/801738941.db2.gz VKZRKXUZMXJDCP-DOMZBBRYSA-N 2 2 296.415 -0.251 20 0 CBADLP CN(C)C(=O)C[NH+]1CC[C@](C)(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001046198451 801738945 /nfs/dbraw/zinc/73/89/45/801738945.db2.gz VKZRKXUZMXJDCP-DOMZBBRYSA-N 2 2 296.415 -0.251 20 0 CBADLP CC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001046218854 801741622 /nfs/dbraw/zinc/74/16/22/801741622.db2.gz LWRRUXXRRONLPG-WCQYABFASA-N 2 2 255.362 -0.083 20 0 CBADLP CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001046218854 801741624 /nfs/dbraw/zinc/74/16/24/801741624.db2.gz LWRRUXXRRONLPG-WCQYABFASA-N 2 2 255.362 -0.083 20 0 CBADLP CC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001046218854 801741626 /nfs/dbraw/zinc/74/16/26/801741626.db2.gz LWRRUXXRRONLPG-WCQYABFASA-N 2 2 255.362 -0.083 20 0 CBADLP CC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001046218854 801741630 /nfs/dbraw/zinc/74/16/30/801741630.db2.gz LWRRUXXRRONLPG-WCQYABFASA-N 2 2 255.362 -0.083 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2C[N@@H+](CCO)C[C@@H]2C1 ZINC001049174717 802004165 /nfs/dbraw/zinc/00/41/65/802004165.db2.gz XPYQHUITVSBOMB-TXEJJXNPSA-N 2 2 278.356 -0.655 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2C[N@H+](CCO)C[C@@H]2C1 ZINC001049174717 802004173 /nfs/dbraw/zinc/00/41/73/802004173.db2.gz XPYQHUITVSBOMB-TXEJJXNPSA-N 2 2 278.356 -0.655 20 0 CBADLP COCC[N@H+]1C[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C1 ZINC001049248387 802008626 /nfs/dbraw/zinc/00/86/26/802008626.db2.gz WTVIFJLCEIDGAU-BETUJISGSA-N 2 2 278.356 -0.080 20 0 CBADLP COCC[N@@H+]1C[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C1 ZINC001049248387 802008628 /nfs/dbraw/zinc/00/86/28/802008628.db2.gz WTVIFJLCEIDGAU-BETUJISGSA-N 2 2 278.356 -0.080 20 0 CBADLP C[C@H](O)C[N@H+]1C[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C1 ZINC001049247880 802008653 /nfs/dbraw/zinc/00/86/53/802008653.db2.gz HXEXZGCJVYESDS-RWMBFGLXSA-N 2 2 278.356 -0.346 20 0 CBADLP C[C@H](O)C[N@@H+]1C[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C1 ZINC001049247880 802008662 /nfs/dbraw/zinc/00/86/62/802008662.db2.gz HXEXZGCJVYESDS-RWMBFGLXSA-N 2 2 278.356 -0.346 20 0 CBADLP CC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001051952174 802174745 /nfs/dbraw/zinc/17/47/45/802174745.db2.gz VLPGHIXEGUVUPW-LLVKDONJSA-N 2 2 252.318 -0.280 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001052749194 802214362 /nfs/dbraw/zinc/21/43/62/802214362.db2.gz RWCYJDHROLAWCC-MNOVXSKESA-N 2 2 293.371 -0.203 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001052749194 802214372 /nfs/dbraw/zinc/21/43/72/802214372.db2.gz RWCYJDHROLAWCC-MNOVXSKESA-N 2 2 293.371 -0.203 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CCC[N@@H+](CCO)CC1 ZINC001052751657 802217512 /nfs/dbraw/zinc/21/75/12/802217512.db2.gz XIUQZTINEMHWRT-LLVKDONJSA-N 2 2 266.345 -0.085 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CCC[N@H+](CCO)CC1 ZINC001052751657 802217522 /nfs/dbraw/zinc/21/75/22/802217522.db2.gz XIUQZTINEMHWRT-LLVKDONJSA-N 2 2 266.345 -0.085 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CCC[N@@H+](CCO)CC1 ZINC001052823776 802219656 /nfs/dbraw/zinc/21/96/56/802219656.db2.gz OHRURTBURMUSCT-NSHDSACASA-N 2 2 266.345 -0.085 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CCC[N@H+](CCO)CC1 ZINC001052823776 802219663 /nfs/dbraw/zinc/21/96/63/802219663.db2.gz OHRURTBURMUSCT-NSHDSACASA-N 2 2 266.345 -0.085 20 0 CBADLP CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)CO2 ZINC001054007574 802323679 /nfs/dbraw/zinc/32/36/79/802323679.db2.gz HFERRBZTUZGVOG-VXGBXAGGSA-N 2 2 267.373 -0.083 20 0 CBADLP CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)CO2 ZINC001054007574 802323687 /nfs/dbraw/zinc/32/36/87/802323687.db2.gz HFERRBZTUZGVOG-VXGBXAGGSA-N 2 2 267.373 -0.083 20 0 CBADLP C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1[NH2+]CC(N)=O ZINC001054726955 802366731 /nfs/dbraw/zinc/36/67/31/802366731.db2.gz YVXONQKDFRRTAR-ONGXEEELSA-N 2 2 279.344 -0.736 20 0 CBADLP C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1[NH2+]CC(N)=O ZINC001054726955 802366742 /nfs/dbraw/zinc/36/67/42/802366742.db2.gz YVXONQKDFRRTAR-ONGXEEELSA-N 2 2 279.344 -0.736 20 0 CBADLP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1[NH2+]CCO ZINC001054716953 802367477 /nfs/dbraw/zinc/36/74/77/802367477.db2.gz AEZNCGBJLBLFAA-ZYHUDNBSSA-N 2 2 266.345 -0.229 20 0 CBADLP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1[NH2+]CCO ZINC001054716953 802367484 /nfs/dbraw/zinc/36/74/84/802367484.db2.gz AEZNCGBJLBLFAA-ZYHUDNBSSA-N 2 2 266.345 -0.229 20 0 CBADLP C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1[NH2+]CCO ZINC001054927660 802379177 /nfs/dbraw/zinc/37/91/77/802379177.db2.gz MIYVMQONDHCKAG-NEPJUHHUSA-N 2 2 280.372 -0.219 20 0 CBADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1[NH2+]CCO ZINC001054951283 802380824 /nfs/dbraw/zinc/38/08/24/802380824.db2.gz LCGUSMNLOVBNAN-NEPJUHHUSA-N 2 2 266.345 -0.298 20 0 CBADLP [NH3+]CC(=O)NCC(=O)NCc1ccn2cc[nH+]c2c1 ZINC001118135538 812474969 /nfs/dbraw/zinc/47/49/69/812474969.db2.gz ISPPUJRELRGWJO-UHFFFAOYSA-N 2 2 261.285 -0.975 20 0 CBADLP C[NH2+]C1CC(C(=O)N[C@@H](C)[C@H]2CN(C)CC[N@@H+]2C)C1 ZINC001122449048 813166466 /nfs/dbraw/zinc/16/64/66/813166466.db2.gz RGVDADCHSCQIEQ-YWPUVAFDSA-N 2 2 268.405 -0.265 20 0 CBADLP C[NH2+]C1CC(C(=O)N[C@@H](C)[C@H]2CN(C)CC[N@H+]2C)C1 ZINC001122449048 813166469 /nfs/dbraw/zinc/16/64/69/813166469.db2.gz RGVDADCHSCQIEQ-YWPUVAFDSA-N 2 2 268.405 -0.265 20 0 CBADLP Cc1nnc(C[NH2+]CCNC(=O)CC[NH+](C)C)o1 ZINC001133294449 814238208 /nfs/dbraw/zinc/23/82/08/814238208.db2.gz JNOULIUFJODZAB-UHFFFAOYSA-N 2 2 255.322 -0.464 20 0 CBADLP CC[C@@H](C(=O)NCC[NH2+]CCS(C)(=O)=O)[NH+](C)C ZINC001133982469 814332765 /nfs/dbraw/zinc/33/27/65/814332765.db2.gz BJLLMKMKIMCFQP-JTQLQIEISA-N 2 2 279.406 -0.923 20 0 CBADLP CC[C@@H](C(=O)NCC[NH2+]Cc1nnc(C)o1)[NH+](C)C ZINC001133983058 814332869 /nfs/dbraw/zinc/33/28/69/814332869.db2.gz XCDIHVHAAAMQCG-JTQLQIEISA-N 2 2 269.349 -0.076 20 0 CBADLP CC[C@@H](C(=O)NCC[NH2+]Cc1nc(N(C)C)no1)[NH+](C)C ZINC001133982987 814333619 /nfs/dbraw/zinc/33/36/19/814333619.db2.gz SELRQSCNYPTIEG-JTQLQIEISA-N 2 2 298.391 -0.318 20 0 CBADLP CCC[N@H+](C)CCC(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001148570335 814949862 /nfs/dbraw/zinc/94/98/62/814949862.db2.gz AGKOECCOYPJMOG-UHFFFAOYSA-N 2 2 298.391 -0.954 20 0 CBADLP CCC[N@@H+](C)CCC(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001148570335 814949866 /nfs/dbraw/zinc/94/98/66/814949866.db2.gz AGKOECCOYPJMOG-UHFFFAOYSA-N 2 2 298.391 -0.954 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+][C@@H]1CCCN(C)C1=O ZINC001149122780 814970876 /nfs/dbraw/zinc/97/08/76/814970876.db2.gz BFXWOFLJCUFNAE-LLVKDONJSA-N 2 2 293.371 -0.413 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+][C@H]1CCN(C)C1=O ZINC001149131146 814971641 /nfs/dbraw/zinc/97/16/41/814971641.db2.gz WFUAYWNZOSJIBL-JTQLQIEISA-N 2 2 279.344 -0.803 20 0 CBADLP CCNC(=O)C[NH2+]CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001149124600 814971326 /nfs/dbraw/zinc/97/13/26/814971326.db2.gz WLWVSHMWKGBQHK-UHFFFAOYSA-N 2 2 267.333 -0.897 20 0 CBADLP CN(CCC[NH2+]CC(=O)N1CCC1)C(=O)Cc1c[nH+]c[nH]1 ZINC001322709790 803930656 /nfs/dbraw/zinc/93/06/56/803930656.db2.gz DCURWKUHXMBELI-UHFFFAOYSA-N 2 2 293.371 -0.377 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCC3)C2)CC1 ZINC001322992560 803964482 /nfs/dbraw/zinc/96/44/82/803964482.db2.gz IHEDODVEBDHDFV-GFCCVEGCSA-N 2 2 294.399 -0.497 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCC3)C2)CC1 ZINC001322992560 803964489 /nfs/dbraw/zinc/96/44/89/803964489.db2.gz IHEDODVEBDHDFV-GFCCVEGCSA-N 2 2 294.399 -0.497 20 0 CBADLP CON(C)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001322993288 803964937 /nfs/dbraw/zinc/96/49/37/803964937.db2.gz KWSUCEUWFRTADR-NSHDSACASA-N 2 2 298.387 -0.709 20 0 CBADLP CON(C)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001322993288 803964943 /nfs/dbraw/zinc/96/49/43/803964943.db2.gz KWSUCEUWFRTADR-NSHDSACASA-N 2 2 298.387 -0.709 20 0 CBADLP C[C@@H](O)C[N@@H+]1CC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001323280435 804001036 /nfs/dbraw/zinc/00/10/36/804001036.db2.gz YOHUCKJAHLKCCY-NEPJUHHUSA-N 2 2 266.345 -0.156 20 0 CBADLP C[C@@H](O)C[N@H+]1CC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001323280435 804001045 /nfs/dbraw/zinc/00/10/45/804001045.db2.gz YOHUCKJAHLKCCY-NEPJUHHUSA-N 2 2 266.345 -0.156 20 0 CBADLP CN(C)C(=O)C[NH2+]CCNC(=O)CCc1c[nH+]cn1C ZINC001149558711 814999713 /nfs/dbraw/zinc/99/97/13/814999713.db2.gz KFGUIEAXAMUEGL-UHFFFAOYSA-N 2 2 281.360 -0.853 20 0 CBADLP Cn1cc(C[NH2+]CCNC(=O)CCc2c[nH+]cn2C)cn1 ZINC001149552947 814999913 /nfs/dbraw/zinc/99/99/13/814999913.db2.gz BZGMNTHONANTJH-UHFFFAOYSA-N 2 2 290.371 -0.008 20 0 CBADLP COCCOCC[NH2+]CCNC(=O)CCc1c[nH+]cn1C ZINC001149559583 815000783 /nfs/dbraw/zinc/00/07/83/815000783.db2.gz UDUOUUZCNMZWGM-UHFFFAOYSA-N 2 2 298.387 -0.279 20 0 CBADLP COCC[N@@H+]1CCCO[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001150371468 815027774 /nfs/dbraw/zinc/02/77/74/815027774.db2.gz IPLZNGGVFYIYTO-ZDUSSCGKSA-N 2 2 296.371 -0.194 20 0 CBADLP COCC[N@H+]1CCCO[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001150371468 815027781 /nfs/dbraw/zinc/02/77/81/815027781.db2.gz IPLZNGGVFYIYTO-ZDUSSCGKSA-N 2 2 296.371 -0.194 20 0 CBADLP C[C@@H](O)C[N@@H+]1CCCO[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001150507793 815033553 /nfs/dbraw/zinc/03/35/53/815033553.db2.gz KIGYBWANYMTTAC-NEPJUHHUSA-N 2 2 296.371 -0.460 20 0 CBADLP C[C@@H](O)C[N@H+]1CCCO[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001150507793 815033560 /nfs/dbraw/zinc/03/35/60/815033560.db2.gz KIGYBWANYMTTAC-NEPJUHHUSA-N 2 2 296.371 -0.460 20 0 CBADLP COCC[N@@H+]1CCCO[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001150497585 815033871 /nfs/dbraw/zinc/03/38/71/815033871.db2.gz JYPXVUAULUCADT-GFCCVEGCSA-N 2 2 296.371 -0.194 20 0 CBADLP COCC[N@H+]1CCCO[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001150497585 815033875 /nfs/dbraw/zinc/03/38/75/815033875.db2.gz JYPXVUAULUCADT-GFCCVEGCSA-N 2 2 296.371 -0.194 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1C[N@H+](CCO)CCCO1 ZINC001150663430 815039253 /nfs/dbraw/zinc/03/92/53/815039253.db2.gz JHBSGLCIWSLDQU-LBPRGKRZSA-N 2 2 296.371 -0.540 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1C[N@@H+](CCO)CCCO1 ZINC001150663430 815039261 /nfs/dbraw/zinc/03/92/61/815039261.db2.gz JHBSGLCIWSLDQU-LBPRGKRZSA-N 2 2 296.371 -0.540 20 0 CBADLP CC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](n2ccnn2)C1 ZINC001070109407 805171723 /nfs/dbraw/zinc/17/17/23/805171723.db2.gz VNVLYPCZSDEFDZ-NEPJUHHUSA-N 2 2 289.343 -0.464 20 0 CBADLP CC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](n2ccnn2)C1 ZINC001070109407 805171731 /nfs/dbraw/zinc/17/17/31/805171731.db2.gz VNVLYPCZSDEFDZ-NEPJUHHUSA-N 2 2 289.343 -0.464 20 0 CBADLP CC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1n1ccnn1 ZINC001070337573 805179719 /nfs/dbraw/zinc/17/97/19/805179719.db2.gz DTTOBOVGYLDRIT-NEPJUHHUSA-N 2 2 289.343 -0.464 20 0 CBADLP CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001070946003 805205132 /nfs/dbraw/zinc/20/51/32/805205132.db2.gz LOXRUGBHWYTBLB-CYBMUJFWSA-N 2 2 296.415 -0.249 20 0 CBADLP CC[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001070946003 805205135 /nfs/dbraw/zinc/20/51/35/805205135.db2.gz LOXRUGBHWYTBLB-CYBMUJFWSA-N 2 2 296.415 -0.249 20 0 CBADLP CC[NH+]1CCNC(=O)CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001070946003 805205143 /nfs/dbraw/zinc/20/51/43/805205143.db2.gz LOXRUGBHWYTBLB-CYBMUJFWSA-N 2 2 296.415 -0.249 20 0 CBADLP CC[NH+]1CCNC(=O)CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001070946003 805205147 /nfs/dbraw/zinc/20/51/47/805205147.db2.gz LOXRUGBHWYTBLB-CYBMUJFWSA-N 2 2 296.415 -0.249 20 0 CBADLP C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]Cc2nncs2)C1 ZINC001151066665 815057509 /nfs/dbraw/zinc/05/75/09/815057509.db2.gz XCZBFUNARDTFFR-SECBINFHSA-N 2 2 269.374 -0.304 20 0 CBADLP C[N@H+]1CC[C@@H](C(=O)NCC[NH2+]Cc2nncs2)C1 ZINC001151066665 815057515 /nfs/dbraw/zinc/05/75/15/815057515.db2.gz XCZBFUNARDTFFR-SECBINFHSA-N 2 2 269.374 -0.304 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC(N)=O)C1 ZINC001071689178 805257227 /nfs/dbraw/zinc/25/72/27/805257227.db2.gz GYYNAVTVWNZVGE-ZYHUDNBSSA-N 2 2 293.371 -0.354 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC(N)=O)C1 ZINC001071689178 805257232 /nfs/dbraw/zinc/25/72/32/805257232.db2.gz GYYNAVTVWNZVGE-ZYHUDNBSSA-N 2 2 293.371 -0.354 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NCC[NH2+]Cc1nncs1 ZINC001151121915 815063080 /nfs/dbraw/zinc/06/30/80/815063080.db2.gz NFZLSRBPJPYKRI-UHFFFAOYSA-N 2 2 280.357 -0.051 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NCC[NH2+]Cc1ccn(C)n1 ZINC001151147724 815065670 /nfs/dbraw/zinc/06/56/70/815065670.db2.gz UQKPDWURRCFDDC-UHFFFAOYSA-N 2 2 276.344 -0.169 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CC2(C1)CC[N@@H+](CCCO)C2 ZINC001073485788 805372168 /nfs/dbraw/zinc/37/21/68/805372168.db2.gz ALPKMHLERSHUED-UHFFFAOYSA-N 2 2 278.356 -0.200 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CC2(C1)CC[N@H+](CCCO)C2 ZINC001073485788 805372178 /nfs/dbraw/zinc/37/21/78/805372178.db2.gz ALPKMHLERSHUED-UHFFFAOYSA-N 2 2 278.356 -0.200 20 0 CBADLP C[C@H]1[C@@H]([NH2+][C@@H]2CCNC2=O)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001074920558 805477588 /nfs/dbraw/zinc/47/75/88/805477588.db2.gz ZDISGEQTGMXQNO-ZMLRMANQSA-N 2 2 291.355 -0.580 20 0 CBADLP CC[C@@H]([NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@H]1C)C(N)=O ZINC001075147676 805486280 /nfs/dbraw/zinc/48/62/80/805486280.db2.gz HXEVMYFMRVEFEP-TUAOUCFPSA-N 2 2 293.371 -0.274 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CC(N)=O)C[C@H]21 ZINC001075613850 805515450 /nfs/dbraw/zinc/51/54/50/805515450.db2.gz SCZRQZNWTHZEIA-SDDRHHMPSA-N 2 2 280.372 -0.901 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CC(N)=O)C[C@H]21 ZINC001075613850 805515452 /nfs/dbraw/zinc/51/54/52/805515452.db2.gz SCZRQZNWTHZEIA-SDDRHHMPSA-N 2 2 280.372 -0.901 20 0 CBADLP C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001075613850 805515456 /nfs/dbraw/zinc/51/54/56/805515456.db2.gz SCZRQZNWTHZEIA-SDDRHHMPSA-N 2 2 280.372 -0.901 20 0 CBADLP C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001075613850 805515457 /nfs/dbraw/zinc/51/54/57/805515457.db2.gz SCZRQZNWTHZEIA-SDDRHHMPSA-N 2 2 280.372 -0.901 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2ncccn2)C1 ZINC001151749399 815092867 /nfs/dbraw/zinc/09/28/67/815092867.db2.gz XFLZPXHGAYNEDI-LBPRGKRZSA-N 2 2 293.371 -0.597 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2ncccn2)C1 ZINC001151749399 815092874 /nfs/dbraw/zinc/09/28/74/815092874.db2.gz XFLZPXHGAYNEDI-LBPRGKRZSA-N 2 2 293.371 -0.597 20 0 CBADLP O=C(NCC[NH2+]CCCO)[C@@H](C1CC1)[NH+]1CCOCC1 ZINC001151813962 815095920 /nfs/dbraw/zinc/09/59/20/815095920.db2.gz CIAOBTUVXIOUHM-CYBMUJFWSA-N 2 2 285.388 -0.815 20 0 CBADLP Cc1noc(C[NH2+]CCNC(=O)C[N@@H+](C)C(C)C)n1 ZINC001152439795 815121291 /nfs/dbraw/zinc/12/12/91/815121291.db2.gz RHCBPEPZDXSZAZ-UHFFFAOYSA-N 2 2 269.349 -0.076 20 0 CBADLP Cc1noc(C[NH2+]CCNC(=O)C[N@H+](C)C(C)C)n1 ZINC001152439795 815121293 /nfs/dbraw/zinc/12/12/93/815121293.db2.gz RHCBPEPZDXSZAZ-UHFFFAOYSA-N 2 2 269.349 -0.076 20 0 CBADLP CN1CC[C@H]([NH2+]CCNC(=O)CCCn2cc[nH+]c2)C1=O ZINC001153350580 815159010 /nfs/dbraw/zinc/15/90/10/815159010.db2.gz CSZIHUANBWXPAP-LBPRGKRZSA-N 2 2 293.371 -0.400 20 0 CBADLP COC[C@@H](O)C[NH2+]CCNC(=O)CCCn1cc[nH+]c1 ZINC001153345396 815159623 /nfs/dbraw/zinc/15/96/23/815159623.db2.gz UISYPJZSMVYQMV-LBPRGKRZSA-N 2 2 284.360 -0.624 20 0 CBADLP Cc1noc(CCC[NH2+]CCNC(=O)Cn2cc[nH+]c2)n1 ZINC001153495589 815165153 /nfs/dbraw/zinc/16/51/53/815165153.db2.gz KQWQEGBMZXLYGL-UHFFFAOYSA-N 2 2 292.343 -0.087 20 0 CBADLP CC(C)NC(=O)C[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153487738 815163419 /nfs/dbraw/zinc/16/34/19/815163419.db2.gz LDKWZDKPPWPUTH-UHFFFAOYSA-N 2 2 267.333 -0.887 20 0 CBADLP CCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153499919 815164213 /nfs/dbraw/zinc/16/42/13/815164213.db2.gz ABPTUPWCZQUHQC-LLVKDONJSA-N 2 2 281.360 -0.496 20 0 CBADLP CC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153487995 815165112 /nfs/dbraw/zinc/16/51/12/815165112.db2.gz YQQAFBPGMHNRBL-LLVKDONJSA-N 2 2 281.360 -0.496 20 0 CBADLP CC[N@@H+]1CC[C@@H]1C(=O)NCC[NH+]1CCCOCC1 ZINC001154721961 815236617 /nfs/dbraw/zinc/23/66/17/815236617.db2.gz DHBPBKKRAZWBHC-GFCCVEGCSA-N 2 2 255.362 -0.081 20 0 CBADLP CC[N@H+]1CC[C@@H]1C(=O)NCC[NH+]1CCCOCC1 ZINC001154721961 815236621 /nfs/dbraw/zinc/23/66/21/815236621.db2.gz DHBPBKKRAZWBHC-GFCCVEGCSA-N 2 2 255.362 -0.081 20 0 CBADLP CC[NH+]1CC[C@@H]1C(=O)NCC[N@@H+]1CCCOCC1 ZINC001154721961 815236627 /nfs/dbraw/zinc/23/66/27/815236627.db2.gz DHBPBKKRAZWBHC-GFCCVEGCSA-N 2 2 255.362 -0.081 20 0 CBADLP CC[NH+]1CC[C@@H]1C(=O)NCC[N@H+]1CCCOCC1 ZINC001154721961 815236631 /nfs/dbraw/zinc/23/66/31/815236631.db2.gz DHBPBKKRAZWBHC-GFCCVEGCSA-N 2 2 255.362 -0.081 20 0 CBADLP [NH3+]CC1C[NH+]([C@@H]2CCCN(c3ncc4c(n3)C[NH2+]C4)C2)C1 ZINC001155372819 815279913 /nfs/dbraw/zinc/27/99/13/815279913.db2.gz KWMAXRWMZIXYEB-CYBMUJFWSA-N 3 2 288.399 -0.061 20 0 CBADLP Nc1cc(NCc2nnn3c2C[NH2+]CCC3)[nH+]cn1 ZINC001155398664 815282245 /nfs/dbraw/zinc/28/22/45/815282245.db2.gz YWHYPYSHIJURLB-UHFFFAOYSA-N 2 2 260.305 -0.244 20 0 CBADLP Cc1nc(N(C)C)nc(NC[C@]23C[NH2+]C[C@H]2COC3)[nH+]1 ZINC001155516237 815289821 /nfs/dbraw/zinc/28/98/21/815289821.db2.gz VGJODRDHOJSUGP-GWCFXTLKSA-N 2 2 278.360 -0.106 20 0 CBADLP CC[N@H+](C[C@@H](O)COC)[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001156011588 815329610 /nfs/dbraw/zinc/32/96/10/815329610.db2.gz MRDYNTXGSZYUJS-VXGBXAGGSA-N 2 2 298.387 -0.214 20 0 CBADLP CC[N@@H+](C[C@@H](O)COC)[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001156011588 815329616 /nfs/dbraw/zinc/32/96/16/815329616.db2.gz MRDYNTXGSZYUJS-VXGBXAGGSA-N 2 2 298.387 -0.214 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]Cc2ccon2)C1 ZINC001156125843 815338429 /nfs/dbraw/zinc/33/84/29/815338429.db2.gz PQGHOIATEJYDIN-GFCCVEGCSA-N 2 2 282.344 -0.399 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]Cc2ccon2)C1 ZINC001156125843 815338435 /nfs/dbraw/zinc/33/84/35/815338435.db2.gz PQGHOIATEJYDIN-GFCCVEGCSA-N 2 2 282.344 -0.399 20 0 CBADLP Cc1nc(C[NH2+]CCCNC(=O)[C@@H]2C[N@H+](C)CCO2)co1 ZINC001156145198 815340621 /nfs/dbraw/zinc/34/06/21/815340621.db2.gz KAMKIUBQFHWYMV-ZDUSSCGKSA-N 2 2 296.371 -0.090 20 0 CBADLP Cc1nc(C[NH2+]CCCNC(=O)[C@@H]2C[N@@H+](C)CCO2)co1 ZINC001156145198 815340629 /nfs/dbraw/zinc/34/06/29/815340629.db2.gz KAMKIUBQFHWYMV-ZDUSSCGKSA-N 2 2 296.371 -0.090 20 0 CBADLP Cc1conc1C[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001156152284 815341366 /nfs/dbraw/zinc/34/13/66/815341366.db2.gz KHQXJPKLXOLXTB-ZDUSSCGKSA-N 2 2 296.371 -0.090 20 0 CBADLP Cc1conc1C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001156152284 815341373 /nfs/dbraw/zinc/34/13/73/815341373.db2.gz KHQXJPKLXOLXTB-ZDUSSCGKSA-N 2 2 296.371 -0.090 20 0 CBADLP Cc1nc(C[NH2+]CCCNC(=O)[C@H]2C[N@H+](C)CCO2)co1 ZINC001156145197 815341487 /nfs/dbraw/zinc/34/14/87/815341487.db2.gz KAMKIUBQFHWYMV-CYBMUJFWSA-N 2 2 296.371 -0.090 20 0 CBADLP Cc1nc(C[NH2+]CCCNC(=O)[C@H]2C[N@@H+](C)CCO2)co1 ZINC001156145197 815341494 /nfs/dbraw/zinc/34/14/94/815341494.db2.gz KAMKIUBQFHWYMV-CYBMUJFWSA-N 2 2 296.371 -0.090 20 0 CBADLP COC(=O)[C@@H]1C[C@H](Nc2ncnc3c2CC[NH2+]CC3)C[NH2+]1 ZINC001156240913 815350855 /nfs/dbraw/zinc/35/08/55/815350855.db2.gz ZPLAJNBTAQTFSC-CABZTGNLSA-N 2 2 291.355 -0.520 20 0 CBADLP CC[N@H+](CC(=O)NC)[C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001156384153 815356544 /nfs/dbraw/zinc/35/65/44/815356544.db2.gz YNFYDQPGLCXSKQ-LLVKDONJSA-N 2 2 295.387 -0.465 20 0 CBADLP CC[N@@H+](CC(=O)NC)[C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001156384153 815356551 /nfs/dbraw/zinc/35/65/51/815356551.db2.gz YNFYDQPGLCXSKQ-LLVKDONJSA-N 2 2 295.387 -0.465 20 0 CBADLP CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001156383902 815356818 /nfs/dbraw/zinc/35/68/18/815356818.db2.gz SJMHQLMLBVGXDF-SNVBAGLBSA-N 2 2 281.360 -0.726 20 0 CBADLP CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001156383902 815356824 /nfs/dbraw/zinc/35/68/24/815356824.db2.gz SJMHQLMLBVGXDF-SNVBAGLBSA-N 2 2 281.360 -0.726 20 0 CBADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC[N@@H+]1CC(N)=O ZINC001087625723 810298835 /nfs/dbraw/zinc/29/88/35/810298835.db2.gz RQQBAXODDQYVSB-YNEHKIRRSA-N 2 2 296.415 -0.075 20 0 CBADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC[N@H+]1CC(N)=O ZINC001087625723 810298842 /nfs/dbraw/zinc/29/88/42/810298842.db2.gz RQQBAXODDQYVSB-YNEHKIRRSA-N 2 2 296.415 -0.075 20 0 CBADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC[NH+]1CC(N)=O ZINC001087625723 810298849 /nfs/dbraw/zinc/29/88/49/810298849.db2.gz RQQBAXODDQYVSB-YNEHKIRRSA-N 2 2 296.415 -0.075 20 0 CBADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC[NH+]1CC(N)=O ZINC001087625723 810298854 /nfs/dbraw/zinc/29/88/54/810298854.db2.gz RQQBAXODDQYVSB-YNEHKIRRSA-N 2 2 296.415 -0.075 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@@H+]1CC(N)=O ZINC001088702642 810351683 /nfs/dbraw/zinc/35/16/83/810351683.db2.gz APJKPLGRWSVVGX-NEPJUHHUSA-N 2 2 294.399 -0.321 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@H+]1CC(N)=O ZINC001088702642 810351690 /nfs/dbraw/zinc/35/16/90/810351690.db2.gz APJKPLGRWSVVGX-NEPJUHHUSA-N 2 2 294.399 -0.321 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)CC[NH+]1CC(N)=O ZINC001088857914 810362641 /nfs/dbraw/zinc/36/26/41/810362641.db2.gz ITAPOPBTWZTAMX-TUAOUCFPSA-N 2 2 282.388 -0.465 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)CC[NH+]1CC(N)=O ZINC001088857914 810362648 /nfs/dbraw/zinc/36/26/48/810362648.db2.gz ITAPOPBTWZTAMX-TUAOUCFPSA-N 2 2 282.388 -0.465 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC[N@@H+]1CC(N)=O ZINC001088857914 810362652 /nfs/dbraw/zinc/36/26/52/810362652.db2.gz ITAPOPBTWZTAMX-TUAOUCFPSA-N 2 2 282.388 -0.465 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC[N@H+]1CC(N)=O ZINC001088857914 810362660 /nfs/dbraw/zinc/36/26/60/810362660.db2.gz ITAPOPBTWZTAMX-TUAOUCFPSA-N 2 2 282.388 -0.465 20 0 CBADLP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CC[NH+](CC(N)=O)[C@@H]2C)C1 ZINC001088860155 810363545 /nfs/dbraw/zinc/36/35/45/810363545.db2.gz XVHCLEUKCYYGMQ-UTUOFQBUSA-N 2 2 282.388 -0.608 20 0 CBADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CC[NH+](CC(N)=O)[C@@H]2C)C1 ZINC001088860155 810363547 /nfs/dbraw/zinc/36/35/47/810363547.db2.gz XVHCLEUKCYYGMQ-UTUOFQBUSA-N 2 2 282.388 -0.608 20 0 CBADLP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CC[N@H+](CC(N)=O)[C@@H]2C)C1 ZINC001088860155 810363549 /nfs/dbraw/zinc/36/35/49/810363549.db2.gz XVHCLEUKCYYGMQ-UTUOFQBUSA-N 2 2 282.388 -0.608 20 0 CBADLP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CC[N@@H+](CC(N)=O)[C@@H]2C)C1 ZINC001088860155 810363551 /nfs/dbraw/zinc/36/35/51/810363551.db2.gz XVHCLEUKCYYGMQ-UTUOFQBUSA-N 2 2 282.388 -0.608 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@H]2C)[C@H]1C ZINC001088857506 810364093 /nfs/dbraw/zinc/36/40/93/810364093.db2.gz RHKMKXSTHWVSJG-UPJWGTAASA-N 2 2 296.415 -0.204 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@H]2C)[C@H]1C ZINC001088857506 810364099 /nfs/dbraw/zinc/36/40/99/810364099.db2.gz RHKMKXSTHWVSJG-UPJWGTAASA-N 2 2 296.415 -0.204 20 0 CBADLP CNC(=O)C[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)[C@H]1C ZINC001088857506 810364107 /nfs/dbraw/zinc/36/41/07/810364107.db2.gz RHKMKXSTHWVSJG-UPJWGTAASA-N 2 2 296.415 -0.204 20 0 CBADLP CNC(=O)C[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)[C@H]1C ZINC001088857506 810364115 /nfs/dbraw/zinc/36/41/15/810364115.db2.gz RHKMKXSTHWVSJG-UPJWGTAASA-N 2 2 296.415 -0.204 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@H+](CCO)[C@@H]1C ZINC001089005986 810372312 /nfs/dbraw/zinc/37/23/12/810372312.db2.gz JBJSTHCBRPQYDW-MNOVXSKESA-N 2 2 266.345 -0.168 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@@H+](CCO)[C@@H]1C ZINC001089005986 810372316 /nfs/dbraw/zinc/37/23/16/810372316.db2.gz JBJSTHCBRPQYDW-MNOVXSKESA-N 2 2 266.345 -0.168 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@@H+]1CCCO ZINC001089074392 810375848 /nfs/dbraw/zinc/37/58/48/810375848.db2.gz CSVHKURFJPYTPY-NEPJUHHUSA-N 2 2 266.345 -0.156 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@H+]1CCCO ZINC001089074392 810375855 /nfs/dbraw/zinc/37/58/55/810375855.db2.gz CSVHKURFJPYTPY-NEPJUHHUSA-N 2 2 266.345 -0.156 20 0 CBADLP C[NH2+][C@@H]1CCN1c1ccc(N2CC[NH+](C)CC2)nn1 ZINC001156638560 815370972 /nfs/dbraw/zinc/37/09/72/815370972.db2.gz MVZITOQJCMJARD-NSHDSACASA-N 2 2 262.361 -0.016 20 0 CBADLP C[NH2+][C@@H]1CCN1c1nc2c(c(N3CCOCC3)n1)C[NH2+]C2 ZINC001156658690 815372442 /nfs/dbraw/zinc/37/24/42/815372442.db2.gz IHYQNNYBLQKYJT-LBPRGKRZSA-N 2 2 290.371 -0.328 20 0 CBADLP COCC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001090678671 810549387 /nfs/dbraw/zinc/54/93/87/810549387.db2.gz IPZSGLVYQDDRLI-WDEREUQCSA-N 2 2 282.344 -0.850 20 0 CBADLP COCC[N@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001090678671 810549395 /nfs/dbraw/zinc/54/93/95/810549395.db2.gz IPZSGLVYQDDRLI-WDEREUQCSA-N 2 2 282.344 -0.850 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[N@H+](CCCF)C[C@@H]1O ZINC001090728480 810556904 /nfs/dbraw/zinc/55/69/04/810556904.db2.gz SOKRTGYHKKPKMV-STQMWFEESA-N 2 2 298.362 -0.126 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[N@@H+](CCCF)C[C@@H]1O ZINC001090728480 810556909 /nfs/dbraw/zinc/55/69/09/810556909.db2.gz SOKRTGYHKKPKMV-STQMWFEESA-N 2 2 298.362 -0.126 20 0 CBADLP CCC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@H](O)C1 ZINC001090728596 810559322 /nfs/dbraw/zinc/55/93/22/810559322.db2.gz VJVPPOIWJFYZGD-CHWSQXEVSA-N 2 2 280.372 -0.076 20 0 CBADLP CCC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@H](O)C1 ZINC001090728596 810559328 /nfs/dbraw/zinc/55/93/28/810559328.db2.gz VJVPPOIWJFYZGD-CHWSQXEVSA-N 2 2 280.372 -0.076 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@@H+](CCCF)C[C@@H]1O ZINC001090847283 810574915 /nfs/dbraw/zinc/57/49/15/810574915.db2.gz QLKFBWCXYKLOBF-NEPJUHHUSA-N 2 2 284.335 -0.206 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@H+](CCCF)C[C@@H]1O ZINC001090847283 810574923 /nfs/dbraw/zinc/57/49/23/810574923.db2.gz QLKFBWCXYKLOBF-NEPJUHHUSA-N 2 2 284.335 -0.206 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@@H+](CC2CC2)C[C@@H]1O ZINC001090847352 810574987 /nfs/dbraw/zinc/57/49/87/810574987.db2.gz SARUWNVUGMTEBK-OLZOCXBDSA-N 2 2 278.356 -0.156 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@H+](CC2CC2)C[C@@H]1O ZINC001090847352 810574994 /nfs/dbraw/zinc/57/49/94/810574994.db2.gz SARUWNVUGMTEBK-OLZOCXBDSA-N 2 2 278.356 -0.156 20 0 CBADLP CC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](O)C1 ZINC001090851121 810575475 /nfs/dbraw/zinc/57/54/75/810575475.db2.gz ZESNCAWSTSWROL-GHMZBOCLSA-N 2 2 252.318 -0.546 20 0 CBADLP CC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](O)C1 ZINC001090851121 810575480 /nfs/dbraw/zinc/57/54/80/810575480.db2.gz ZESNCAWSTSWROL-GHMZBOCLSA-N 2 2 252.318 -0.546 20 0 CBADLP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(N)=O)C1 ZINC001096538237 810780413 /nfs/dbraw/zinc/78/04/13/810780413.db2.gz BRWUWULQRIMBAL-WYUUTHIRSA-N 2 2 280.372 -0.855 20 0 CBADLP C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(N)=O)C1 ZINC001096538237 810780418 /nfs/dbraw/zinc/78/04/18/810780418.db2.gz BRWUWULQRIMBAL-WYUUTHIRSA-N 2 2 280.372 -0.855 20 0 CBADLP C[NH+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(N)=O)C1 ZINC001096538237 810780425 /nfs/dbraw/zinc/78/04/25/810780425.db2.gz BRWUWULQRIMBAL-WYUUTHIRSA-N 2 2 280.372 -0.855 20 0 CBADLP C[NH+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(N)=O)C1 ZINC001096538237 810780431 /nfs/dbraw/zinc/78/04/31/810780431.db2.gz BRWUWULQRIMBAL-WYUUTHIRSA-N 2 2 280.372 -0.855 20 0 CBADLP CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1C)C2 ZINC001096886043 810788859 /nfs/dbraw/zinc/78/88/59/810788859.db2.gz FLRCFJJLKPHHHE-FVCCEPFGSA-N 2 2 294.399 -0.452 20 0 CBADLP CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1C)C2 ZINC001096886043 810788866 /nfs/dbraw/zinc/78/88/66/810788866.db2.gz FLRCFJJLKPHHHE-FVCCEPFGSA-N 2 2 294.399 -0.452 20 0 CBADLP CNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C2 ZINC001096886043 810788871 /nfs/dbraw/zinc/78/88/71/810788871.db2.gz FLRCFJJLKPHHHE-FVCCEPFGSA-N 2 2 294.399 -0.452 20 0 CBADLP CNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C2 ZINC001096886043 810788875 /nfs/dbraw/zinc/78/88/75/810788875.db2.gz FLRCFJJLKPHHHE-FVCCEPFGSA-N 2 2 294.399 -0.452 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001098400692 810845525 /nfs/dbraw/zinc/84/55/25/810845525.db2.gz JNBNTGHKGQHINU-LOWDOPEQSA-N 2 2 294.399 -0.323 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001098400692 810845533 /nfs/dbraw/zinc/84/55/33/810845533.db2.gz JNBNTGHKGQHINU-LOWDOPEQSA-N 2 2 294.399 -0.323 20 0 CBADLP NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc[nH+]c2)C1 ZINC001099183703 810867121 /nfs/dbraw/zinc/86/71/21/810867121.db2.gz QBHMAIXEGQHDHQ-FZMZJTMJSA-N 2 2 291.355 -0.661 20 0 CBADLP NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc[nH+]c2)C1 ZINC001099183703 810867130 /nfs/dbraw/zinc/86/71/30/810867130.db2.gz QBHMAIXEGQHDHQ-FZMZJTMJSA-N 2 2 291.355 -0.661 20 0 CBADLP CCOC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1([NH3+])CC1 ZINC001157082940 815404278 /nfs/dbraw/zinc/40/42/78/815404278.db2.gz RALOPVUXTWZPRP-VIFPVBQESA-N 2 2 266.301 -0.509 20 0 CBADLP CCOC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1([NH3+])CC1 ZINC001157082940 815404280 /nfs/dbraw/zinc/40/42/80/815404280.db2.gz RALOPVUXTWZPRP-VIFPVBQESA-N 2 2 266.301 -0.509 20 0 CBADLP O=C(CCc1[nH]cc[nH+]1)N[C@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001099810032 810945512 /nfs/dbraw/zinc/94/55/12/810945512.db2.gz NZVCFCKEGRJERP-RYUDHWBXSA-N 2 2 296.371 -0.724 20 0 CBADLP O=C(CCc1[nH]cc[nH+]1)N[C@H]1CC[N@H+](CCCO)C[C@@H]1O ZINC001099810032 810945519 /nfs/dbraw/zinc/94/55/19/810945519.db2.gz NZVCFCKEGRJERP-RYUDHWBXSA-N 2 2 296.371 -0.724 20 0 CBADLP COCC[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@H](O)C1 ZINC001099872116 810956042 /nfs/dbraw/zinc/95/60/42/810956042.db2.gz PCWMMASKNQOEEI-CHWSQXEVSA-N 2 2 296.371 -0.460 20 0 CBADLP COCC[N@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@H](O)C1 ZINC001099872116 810956047 /nfs/dbraw/zinc/95/60/47/810956047.db2.gz PCWMMASKNQOEEI-CHWSQXEVSA-N 2 2 296.371 -0.460 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001099871769 810956544 /nfs/dbraw/zinc/95/65/44/810956544.db2.gz JYFNKINHNGFUBF-OLZOCXBDSA-N 2 2 296.371 -0.724 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CC[N@H+](CCCO)C[C@@H]1O ZINC001099871769 810956548 /nfs/dbraw/zinc/95/65/48/810956548.db2.gz JYFNKINHNGFUBF-OLZOCXBDSA-N 2 2 296.371 -0.724 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001099871769 810956551 /nfs/dbraw/zinc/95/65/51/810956551.db2.gz JYFNKINHNGFUBF-OLZOCXBDSA-N 2 2 296.371 -0.724 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CC[N@H+](CCCO)C[C@@H]1O ZINC001099871769 810956559 /nfs/dbraw/zinc/95/65/59/810956559.db2.gz JYFNKINHNGFUBF-OLZOCXBDSA-N 2 2 296.371 -0.724 20 0 CBADLP CC[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@H](O)C1 ZINC001099872043 810957944 /nfs/dbraw/zinc/95/79/44/810957944.db2.gz NUVOIPREGAFSCZ-VXGBXAGGSA-N 2 2 266.345 -0.086 20 0 CBADLP CC[N@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@H](O)C1 ZINC001099872043 810957950 /nfs/dbraw/zinc/95/79/50/810957950.db2.gz NUVOIPREGAFSCZ-VXGBXAGGSA-N 2 2 266.345 -0.086 20 0 CBADLP CC[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@H](O)C1 ZINC001099872043 810957955 /nfs/dbraw/zinc/95/79/55/810957955.db2.gz NUVOIPREGAFSCZ-VXGBXAGGSA-N 2 2 266.345 -0.086 20 0 CBADLP CC[N@H+]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@H](O)C1 ZINC001099872043 810957957 /nfs/dbraw/zinc/95/79/57/810957957.db2.gz NUVOIPREGAFSCZ-VXGBXAGGSA-N 2 2 266.345 -0.086 20 0 CBADLP CC[N@@H+]1CC[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@@H](O)C1 ZINC001099926806 810969790 /nfs/dbraw/zinc/96/97/90/810969790.db2.gz RVOBHRXOKSDSSI-NEPJUHHUSA-N 2 2 280.372 -0.076 20 0 CBADLP CC[N@H+]1CC[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@@H](O)C1 ZINC001099926806 810969792 /nfs/dbraw/zinc/96/97/92/810969792.db2.gz RVOBHRXOKSDSSI-NEPJUHHUSA-N 2 2 280.372 -0.076 20 0 CBADLP COCC[N@@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001099940676 810971483 /nfs/dbraw/zinc/97/14/83/810971483.db2.gz ZOUZSBZVZPOYIV-STQMWFEESA-N 2 2 296.371 -0.529 20 0 CBADLP COCC[N@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001099940676 810971490 /nfs/dbraw/zinc/97/14/90/810971490.db2.gz ZOUZSBZVZPOYIV-STQMWFEESA-N 2 2 296.371 -0.529 20 0 CBADLP COCCC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001100016866 810993814 /nfs/dbraw/zinc/99/38/14/810993814.db2.gz AMLLGYWBVTUCRA-STQMWFEESA-N 2 2 296.371 -0.460 20 0 CBADLP COCCC[N@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001100016866 810993819 /nfs/dbraw/zinc/99/38/19/810993819.db2.gz AMLLGYWBVTUCRA-STQMWFEESA-N 2 2 296.371 -0.460 20 0 CBADLP CC[NH+](CC)CC(=O)N[C@@H]1CC[N@H+](CCF)C[C@@H]1O ZINC001100047912 811005015 /nfs/dbraw/zinc/00/50/15/811005015.db2.gz CGAIPLSCHCUJTO-NEPJUHHUSA-N 2 2 275.368 -0.151 20 0 CBADLP CC[NH+](CC)CC(=O)N[C@@H]1CC[N@@H+](CCF)C[C@@H]1O ZINC001100047912 811005019 /nfs/dbraw/zinc/00/50/19/811005019.db2.gz CGAIPLSCHCUJTO-NEPJUHHUSA-N 2 2 275.368 -0.151 20 0 CBADLP CCOCC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001100048050 811005039 /nfs/dbraw/zinc/00/50/39/811005039.db2.gz FDGNNCKMGMYWLR-RYUDHWBXSA-N 2 2 296.371 -0.460 20 0 CBADLP CCOCC[N@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001100048050 811005045 /nfs/dbraw/zinc/00/50/45/811005045.db2.gz FDGNNCKMGMYWLR-RYUDHWBXSA-N 2 2 296.371 -0.460 20 0 CBADLP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CCF)C[C@@H]1O ZINC001100083828 811018499 /nfs/dbraw/zinc/01/84/99/811018499.db2.gz WFZAQBFDQFISHB-NEPJUHHUSA-N 2 2 275.368 -0.151 20 0 CBADLP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](CCF)C[C@@H]1O ZINC001100083828 811018508 /nfs/dbraw/zinc/01/85/08/811018508.db2.gz WFZAQBFDQFISHB-NEPJUHHUSA-N 2 2 275.368 -0.151 20 0 CBADLP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+](CCF)C[C@@H]1O ZINC001100083828 811018516 /nfs/dbraw/zinc/01/85/16/811018516.db2.gz WFZAQBFDQFISHB-NEPJUHHUSA-N 2 2 275.368 -0.151 20 0 CBADLP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](CCF)C[C@@H]1O ZINC001100083828 811018523 /nfs/dbraw/zinc/01/85/23/811018523.db2.gz WFZAQBFDQFISHB-NEPJUHHUSA-N 2 2 275.368 -0.151 20 0 CBADLP CC[N@@H+]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)[C@H](O)C1 ZINC001100094195 811020649 /nfs/dbraw/zinc/02/06/49/811020649.db2.gz IOELQBQCJOWLKU-QWHCGFSZSA-N 2 2 280.372 -0.076 20 0 CBADLP CC[N@H+]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)[C@H](O)C1 ZINC001100094195 811020658 /nfs/dbraw/zinc/02/06/58/811020658.db2.gz IOELQBQCJOWLKU-QWHCGFSZSA-N 2 2 280.372 -0.076 20 0 CBADLP O=C(CCCn1cc[nH+]c1)N[C@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001100139880 811027493 /nfs/dbraw/zinc/02/74/93/811027493.db2.gz YAFHFFLPHOLRQR-STQMWFEESA-N 2 2 296.371 -0.793 20 0 CBADLP O=C(CCCn1cc[nH+]c1)N[C@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001100139880 811027500 /nfs/dbraw/zinc/02/75/00/811027500.db2.gz YAFHFFLPHOLRQR-STQMWFEESA-N 2 2 296.371 -0.793 20 0 CBADLP O=C(CCCn1cc[nH+]c1)N[C@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001100139879 811028585 /nfs/dbraw/zinc/02/85/85/811028585.db2.gz YAFHFFLPHOLRQR-QWHCGFSZSA-N 2 2 296.371 -0.793 20 0 CBADLP O=C(CCCn1cc[nH+]c1)N[C@H]1CC[N@H+](CCO)C[C@H]1O ZINC001100139879 811028590 /nfs/dbraw/zinc/02/85/90/811028590.db2.gz YAFHFFLPHOLRQR-QWHCGFSZSA-N 2 2 296.371 -0.793 20 0 CBADLP C[C@@H]([NH2+]C1CC(CNC(=O)CCc2[nH]cc[nH+]2)C1)C(N)=O ZINC001100293321 811046095 /nfs/dbraw/zinc/04/60/95/811046095.db2.gz OFYWZBFPPPRZAX-KPPDAEKUSA-N 2 2 293.371 -0.300 20 0 CBADLP C[C@H]([NH2+]C1CC(CNC(=O)CCc2c[nH]c[nH+]2)C1)C(N)=O ZINC001100391211 811055182 /nfs/dbraw/zinc/05/51/82/811055182.db2.gz ALAAZBSDPJKFEK-BMQDGWLCSA-N 2 2 293.371 -0.300 20 0 CBADLP C[C@H]([NH2+]C1CC(CNC(=O)CCc2c[nH+]c[nH]2)C1)C(N)=O ZINC001100391211 811055191 /nfs/dbraw/zinc/05/51/91/811055191.db2.gz ALAAZBSDPJKFEK-BMQDGWLCSA-N 2 2 293.371 -0.300 20 0 CBADLP CNC(=O)C[NH2+]C1CC(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001100550305 811062730 /nfs/dbraw/zinc/06/27/30/811062730.db2.gz CHQLYFUVSPKXCY-UHFFFAOYSA-N 2 2 293.371 -0.496 20 0 CBADLP C[C@H](CC(=O)NCC1CC([NH2+]CC(N)=O)C1)n1cc[nH+]c1 ZINC001100715740 811075384 /nfs/dbraw/zinc/07/53/84/811075384.db2.gz ZBMORDTXPZRKLA-VOMCLLRMSA-N 2 2 293.371 -0.196 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC1CC([NH2+]CC(N)=O)C1 ZINC001100747368 811076726 /nfs/dbraw/zinc/07/67/26/811076726.db2.gz ITQLGQSAKGIBGB-KPPDAEKUSA-N 2 2 293.371 -0.442 20 0 CBADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC1CC([NH2+]CC(N)=O)C1 ZINC001100747368 811076737 /nfs/dbraw/zinc/07/67/37/811076737.db2.gz ITQLGQSAKGIBGB-KPPDAEKUSA-N 2 2 293.371 -0.442 20 0 CBADLP C[C@@H](O)C[NH2+]C1CC(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001100789460 811079504 /nfs/dbraw/zinc/07/95/04/811079504.db2.gz BOYGMVVCSHDTMW-KPPDAEKUSA-N 2 2 266.345 -0.183 20 0 CBADLP CN(C)C(=O)C[NH2+]C1CC(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001100788754 811079905 /nfs/dbraw/zinc/07/99/05/811079905.db2.gz FSDXPNLXZXXPQA-UHFFFAOYSA-N 2 2 293.371 -0.475 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NCC1CC([NH2+]CCCO)C1 ZINC001100789684 811080401 /nfs/dbraw/zinc/08/04/01/811080401.db2.gz IDEGBAGTKPKRDE-UHFFFAOYSA-N 2 2 266.345 -0.181 20 0 CBADLP CNC(=O)C[NH2+]C1CC(CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001100918458 811084163 /nfs/dbraw/zinc/08/41/63/811084163.db2.gz XCVJIIBGCJLSJB-UHFFFAOYSA-N 2 2 293.371 -0.509 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)NCC1CC([NH2+]CCO)C1 ZINC001100935003 811086440 /nfs/dbraw/zinc/08/64/40/811086440.db2.gz KMLBUVHZWCUOKJ-UHFFFAOYSA-N 2 2 280.372 -0.171 20 0 CBADLP CCNC(=O)C[N@H+](CC)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001157293649 815420437 /nfs/dbraw/zinc/42/04/37/815420437.db2.gz KSLXGZQQXRWYLO-GFCCVEGCSA-N 2 2 295.387 -0.154 20 0 CBADLP C[C@H]([NH2+]C1CC(CNC(=O)Cn2cc[nH+]c2)C1)C(N)=O ZINC001101068909 811092326 /nfs/dbraw/zinc/09/23/26/811092326.db2.gz CRSDPRRMVKCNIG-WHXUTIOJSA-N 2 2 279.344 -0.759 20 0 CBADLP CCNC(=O)C[N@@H+](CC)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001157293649 815420441 /nfs/dbraw/zinc/42/04/41/815420441.db2.gz KSLXGZQQXRWYLO-GFCCVEGCSA-N 2 2 295.387 -0.154 20 0 CBADLP CCNC(=O)C[NH2+]C1CC(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001101070120 811094420 /nfs/dbraw/zinc/09/44/20/811094420.db2.gz JRNYWKMPRWGLNA-UHFFFAOYSA-N 2 2 293.371 -0.496 20 0 CBADLP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001102406435 811156164 /nfs/dbraw/zinc/15/61/64/811156164.db2.gz SKEXQWQBELMLGG-NXEZZACHSA-N 2 2 279.344 -0.878 20 0 CBADLP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001102406435 811156173 /nfs/dbraw/zinc/15/61/73/811156173.db2.gz SKEXQWQBELMLGG-NXEZZACHSA-N 2 2 279.344 -0.878 20 0 CBADLP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001102513131 811157436 /nfs/dbraw/zinc/15/74/36/811157436.db2.gz WVSAKOPZKBONCP-GHMZBOCLSA-N 2 2 293.371 -0.868 20 0 CBADLP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001102513131 811157443 /nfs/dbraw/zinc/15/74/43/811157443.db2.gz WVSAKOPZKBONCP-GHMZBOCLSA-N 2 2 293.371 -0.868 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1C[N@@H+](CCO)C[C@H]1C ZINC001102532413 811158804 /nfs/dbraw/zinc/15/88/04/811158804.db2.gz KTROJXYSQSBQGC-ZYHUDNBSSA-N 2 2 280.372 -0.063 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1C[N@H+](CCO)C[C@H]1C ZINC001102532413 811158808 /nfs/dbraw/zinc/15/88/08/811158808.db2.gz KTROJXYSQSBQGC-ZYHUDNBSSA-N 2 2 280.372 -0.063 20 0 CBADLP C[C@@H]1C[N@H+](CCO)C[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001102616485 811161465 /nfs/dbraw/zinc/16/14/65/811161465.db2.gz CVYFUTLZQITLMO-VXGBXAGGSA-N 2 2 266.345 -0.441 20 0 CBADLP C[C@@H]1C[N@@H+](CCO)C[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001102616485 811161471 /nfs/dbraw/zinc/16/14/71/811161471.db2.gz CVYFUTLZQITLMO-VXGBXAGGSA-N 2 2 266.345 -0.441 20 0 CBADLP CNC(=O)C[N@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC001102614091 811161615 /nfs/dbraw/zinc/16/16/15/811161615.db2.gz NEQOYKSMSPSGPH-VXGBXAGGSA-N 2 2 293.371 -0.687 20 0 CBADLP CNC(=O)C[N@@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC001102614091 811161618 /nfs/dbraw/zinc/16/16/18/811161618.db2.gz NEQOYKSMSPSGPH-VXGBXAGGSA-N 2 2 293.371 -0.687 20 0 CBADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1CC[NH2+]CC(N)=O ZINC001104728877 811209778 /nfs/dbraw/zinc/20/97/78/811209778.db2.gz FQWMKHQAPGQUQM-GHMZBOCLSA-N 2 2 293.371 -0.488 20 0 CBADLP Cn1ccnc1CCNC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001157421147 815431607 /nfs/dbraw/zinc/43/16/07/815431607.db2.gz DVENLBWRXXHARI-GARJFASQSA-N 2 2 263.345 -0.971 20 0 CBADLP N=C(NC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2)n1nnc2ccccc21 ZINC001157421849 815431634 /nfs/dbraw/zinc/43/16/34/815431634.db2.gz IZTSOCOZKNRNPH-YMTOWFKASA-N 2 2 299.338 -0.718 20 0 CBADLP Cn1cc[nH+]c1CCNC(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001157423692 815432864 /nfs/dbraw/zinc/43/28/64/815432864.db2.gz SZLASZPKVDHJNM-JTQLQIEISA-N 2 2 279.344 -0.972 20 0 CBADLP Cn1cc[nH+]c1CCNC(=O)[C@@H]([NH3+])C1CCC(O)CC1 ZINC001157423224 815432928 /nfs/dbraw/zinc/43/29/28/815432928.db2.gz PHAAAFBJTLQIMA-XIVSLSHWSA-N 2 2 280.372 -0.043 20 0 CBADLP Cc1nc(NC[C@H](O)CNC(=O)[C@@H]2CCC[N@H+]2C)cc[nH+]1 ZINC001105751160 811252768 /nfs/dbraw/zinc/25/27/68/811252768.db2.gz WKSVJHQXTXKNBJ-RYUDHWBXSA-N 2 2 293.371 -0.232 20 0 CBADLP Cc1nc(NC[C@H](O)CNC(=O)[C@@H]2CCC[N@@H+]2C)cc[nH+]1 ZINC001105751160 811252772 /nfs/dbraw/zinc/25/27/72/811252772.db2.gz WKSVJHQXTXKNBJ-RYUDHWBXSA-N 2 2 293.371 -0.232 20 0 CBADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C[NH2+]CCO ZINC001106800903 811318588 /nfs/dbraw/zinc/31/85/88/811318588.db2.gz OEQVXFPOZIALTD-GHMZBOCLSA-N 2 2 266.345 -0.371 20 0 CBADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)N2CCn3cnnc3C2)cc1 ZINC001157507291 815439679 /nfs/dbraw/zinc/43/96/79/815439679.db2.gz HWOAQQCQVKRRMU-GFCCVEGCSA-N 2 2 286.339 -0.107 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@]1(C)C[NH+](CCCO)CCO1 ZINC001107817419 811374415 /nfs/dbraw/zinc/37/44/15/811374415.db2.gz QLGUBODBLATCAH-HIFRSBDPSA-N 2 2 299.415 -0.330 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@]1(C)C[NH+](CCCO)CCO1 ZINC001107817419 811374423 /nfs/dbraw/zinc/37/44/23/811374423.db2.gz QLGUBODBLATCAH-HIFRSBDPSA-N 2 2 299.415 -0.330 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@@]1(C)C[N@H+](CCCO)CCO1 ZINC001107817419 811374433 /nfs/dbraw/zinc/37/44/33/811374433.db2.gz QLGUBODBLATCAH-HIFRSBDPSA-N 2 2 299.415 -0.330 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@@]1(C)C[N@@H+](CCCO)CCO1 ZINC001107817419 811374442 /nfs/dbraw/zinc/37/44/42/811374442.db2.gz QLGUBODBLATCAH-HIFRSBDPSA-N 2 2 299.415 -0.330 20 0 CBADLP [NH3+][C@H]1CN(C(=O)c2cnc3n2CC[NH2+]C3)C[C@H]1F ZINC001157559380 815444962 /nfs/dbraw/zinc/44/49/62/815444962.db2.gz DSHPWFTXPLXLQX-SFYZADRCSA-N 2 2 253.281 -0.893 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NC[C@@]1(C)C[N@H+](CCO)CCO1 ZINC001108075806 811408601 /nfs/dbraw/zinc/40/86/01/811408601.db2.gz FKXZTMHQEPWZHS-AWEZNQCLSA-N 2 2 296.371 -0.609 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NC[C@@]1(C)C[N@@H+](CCO)CCO1 ZINC001108075806 811408605 /nfs/dbraw/zinc/40/86/05/811408605.db2.gz FKXZTMHQEPWZHS-AWEZNQCLSA-N 2 2 296.371 -0.609 20 0 CBADLP O=C(N1CCc2cnccc2C1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001157568323 815445878 /nfs/dbraw/zinc/44/58/78/815445878.db2.gz RPEHBWGQAMZJKI-HIFRSBDPSA-N 2 2 272.352 -0.082 20 0 CBADLP c1nc(N2C[C@@H]3C[NH2+][C@@H]3C2)cc(N2CCOCC2)[nH+]1 ZINC001157620011 815448097 /nfs/dbraw/zinc/44/80/97/815448097.db2.gz WNGGOGRMFNWMBT-WDEREUQCSA-N 2 2 261.329 -0.279 20 0 CBADLP CCC[N@H+](C)CC(=O)NC[C@@]1(C)C[NH+](CCO)CCO1 ZINC001108356328 811441258 /nfs/dbraw/zinc/44/12/58/811441258.db2.gz BCRXDOBJXVWWEF-AWEZNQCLSA-N 2 2 287.404 -0.472 20 0 CBADLP CCC[N@@H+](C)CC(=O)NC[C@@]1(C)C[NH+](CCO)CCO1 ZINC001108356328 811441267 /nfs/dbraw/zinc/44/12/67/811441267.db2.gz BCRXDOBJXVWWEF-AWEZNQCLSA-N 2 2 287.404 -0.472 20 0 CBADLP CCC[NH+](C)CC(=O)NC[C@@]1(C)C[N@H+](CCO)CCO1 ZINC001108356328 811441271 /nfs/dbraw/zinc/44/12/71/811441271.db2.gz BCRXDOBJXVWWEF-AWEZNQCLSA-N 2 2 287.404 -0.472 20 0 CBADLP CCC[NH+](C)CC(=O)NC[C@@]1(C)C[N@@H+](CCO)CCO1 ZINC001108356328 811441275 /nfs/dbraw/zinc/44/12/75/811441275.db2.gz BCRXDOBJXVWWEF-AWEZNQCLSA-N 2 2 287.404 -0.472 20 0 CBADLP CCC[N@H+](C)CC(=O)NC[C@]1(C)C[NH+](CCO)CCO1 ZINC001108356329 811442180 /nfs/dbraw/zinc/44/21/80/811442180.db2.gz BCRXDOBJXVWWEF-CQSZACIVSA-N 2 2 287.404 -0.472 20 0 CBADLP CCC[N@@H+](C)CC(=O)NC[C@]1(C)C[NH+](CCO)CCO1 ZINC001108356329 811442186 /nfs/dbraw/zinc/44/21/86/811442186.db2.gz BCRXDOBJXVWWEF-CQSZACIVSA-N 2 2 287.404 -0.472 20 0 CBADLP CCC[NH+](C)CC(=O)NC[C@]1(C)C[N@H+](CCO)CCO1 ZINC001108356329 811442191 /nfs/dbraw/zinc/44/21/91/811442191.db2.gz BCRXDOBJXVWWEF-CQSZACIVSA-N 2 2 287.404 -0.472 20 0 CBADLP CCC[NH+](C)CC(=O)NC[C@]1(C)C[N@@H+](CCO)CCO1 ZINC001108356329 811442196 /nfs/dbraw/zinc/44/21/96/811442196.db2.gz BCRXDOBJXVWWEF-CQSZACIVSA-N 2 2 287.404 -0.472 20 0 CBADLP C[C@H](O)C[N@@H+]1CCO[C@@](C)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001108399496 811445731 /nfs/dbraw/zinc/44/57/31/811445731.db2.gz QLARFOWAUKPDDB-ZFWWWQNUSA-N 2 2 299.415 -0.330 20 0 CBADLP C[C@H](O)C[N@H+]1CCO[C@@](C)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001108399496 811445734 /nfs/dbraw/zinc/44/57/34/811445734.db2.gz QLARFOWAUKPDDB-ZFWWWQNUSA-N 2 2 299.415 -0.330 20 0 CBADLP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(N)=O ZINC001109928442 811504856 /nfs/dbraw/zinc/50/48/56/811504856.db2.gz WEUOXCZQTABOGE-WOPDTQHZSA-N 2 2 282.388 -0.465 20 0 CBADLP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(N)=O ZINC001109928442 811504863 /nfs/dbraw/zinc/50/48/63/811504863.db2.gz WEUOXCZQTABOGE-WOPDTQHZSA-N 2 2 282.388 -0.465 20 0 CBADLP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001109928442 811504868 /nfs/dbraw/zinc/50/48/68/811504868.db2.gz WEUOXCZQTABOGE-WOPDTQHZSA-N 2 2 282.388 -0.465 20 0 CBADLP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001109928442 811504872 /nfs/dbraw/zinc/50/48/72/811504872.db2.gz WEUOXCZQTABOGE-WOPDTQHZSA-N 2 2 282.388 -0.465 20 0 CBADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1Cc2cncnc2C1 ZINC001157707934 815453984 /nfs/dbraw/zinc/45/39/84/815453984.db2.gz BBYDUNXOWUDXAC-SNVBAGLBSA-N 2 2 258.285 -0.388 20 0 CBADLP C[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)CCCO1 ZINC001157704260 815454110 /nfs/dbraw/zinc/45/41/10/815454110.db2.gz WIRXFYXUXZMZPE-MDZLAQPJSA-N 2 2 253.346 -0.425 20 0 CBADLP COC1(C)CCN(C(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)CC1 ZINC001157689292 815454224 /nfs/dbraw/zinc/45/42/24/815454224.db2.gz UFQNAKGNTMSRAC-BXUZGUMPSA-N 2 2 267.373 -0.035 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCOCC(F)(F)C1 ZINC001157708274 815455585 /nfs/dbraw/zinc/45/55/85/815455585.db2.gz NEPDOFWCSUHAKP-JTQLQIEISA-N 2 2 288.298 -0.216 20 0 CBADLP COC(=O)[C@]1(F)CCN(C(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)C1 ZINC001157715259 815455226 /nfs/dbraw/zinc/45/52/26/815455226.db2.gz DCQWLSVXWLRMNS-ICCXJUOJSA-N 2 2 285.319 -0.949 20 0 CBADLP CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O)[NH+](C)C ZINC001111035741 811539416 /nfs/dbraw/zinc/53/94/16/811539416.db2.gz LEWIUUPMHNGDJW-WYUUTHIRSA-N 2 2 282.388 -0.467 20 0 CBADLP CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O)[NH+](C)C ZINC001111035741 811539419 /nfs/dbraw/zinc/53/94/19/811539419.db2.gz LEWIUUPMHNGDJW-WYUUTHIRSA-N 2 2 282.388 -0.467 20 0 CBADLP O=C(N1Cc2cncnc2C1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001157708456 815455676 /nfs/dbraw/zinc/45/56/76/815455676.db2.gz QIRLQQIEJXYXJO-GWCFXTLKSA-N 2 2 259.313 -0.730 20 0 CBADLP CN(C[C@H]1C[NH2+]CCO1)C(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001157720228 815456488 /nfs/dbraw/zinc/45/64/88/815456488.db2.gz DBAWKQPSJUEPRR-KGLIPLIRSA-N 3 2 292.383 -0.295 20 0 CBADLP COC(=O)[C@@]1(F)CCN(C(=O)C2([NH3+])CC[NH2+]CC2)C1 ZINC001157716985 815457325 /nfs/dbraw/zinc/45/73/25/815457325.db2.gz VQNURHLKEZUWAU-LLVKDONJSA-N 2 2 273.308 -0.819 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCC[C@@H](F)C(=O)C1 ZINC001157730063 815458456 /nfs/dbraw/zinc/45/84/56/815458456.db2.gz HOHMDEKDOBOEBT-MNOVXSKESA-N 2 2 282.319 -0.181 20 0 CBADLP O=C(N1CC(F)(F)CC[C@@H]1CO)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001157730927 815459019 /nfs/dbraw/zinc/45/90/19/815459019.db2.gz UPCQETRQSJYXHI-BREBYQMCSA-N 2 2 289.326 -0.444 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1C[C@H](F)C[C@H](CO)C1 ZINC001157731859 815459089 /nfs/dbraw/zinc/45/90/89/815459089.db2.gz XKTDWIKKICSPAG-UMNHJUIQSA-N 2 2 284.335 -0.531 20 0 CBADLP C[C@@H](O)CCC[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001112739893 811591486 /nfs/dbraw/zinc/59/14/86/811591486.db2.gz RLSDSVWTTWGFEV-KGLIPLIRSA-N 2 2 299.415 -0.378 20 0 CBADLP C[C@@H](O)CCC[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001112739893 811591494 /nfs/dbraw/zinc/59/14/94/811591494.db2.gz RLSDSVWTTWGFEV-KGLIPLIRSA-N 2 2 299.415 -0.378 20 0 CBADLP CCOCCC[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001112739801 811591734 /nfs/dbraw/zinc/59/17/34/811591734.db2.gz NRBDKCNSWCPYLO-AWEZNQCLSA-N 2 2 299.415 -0.112 20 0 CBADLP CCOCCC[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001112739801 811591739 /nfs/dbraw/zinc/59/17/39/811591739.db2.gz NRBDKCNSWCPYLO-AWEZNQCLSA-N 2 2 299.415 -0.112 20 0 CBADLP O=C(N1CCC[C@@H](F)C(=O)C1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001157731045 815459606 /nfs/dbraw/zinc/45/96/06/815459606.db2.gz UXVNOGIHEGQWSA-BREBYQMCSA-N 2 2 269.320 -0.533 20 0 CBADLP O=C(N1CC(F)(F)CC[C@@H]1CO)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001157730929 815459793 /nfs/dbraw/zinc/45/97/93/815459793.db2.gz UPCQETRQSJYXHI-GIPNMCIBSA-N 2 2 289.326 -0.444 20 0 CBADLP [NH3+]C[C@]1(F)CCCN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)CC1 ZINC001157741011 815460440 /nfs/dbraw/zinc/46/04/40/815460440.db2.gz RWXGBOTZPNTSSJ-RFHZTLPTSA-N 3 2 284.379 -0.112 20 0 CBADLP COC[C@@H](O)C[NH+]1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001112961826 811613250 /nfs/dbraw/zinc/61/32/50/811613250.db2.gz QHOXTHVOCQNXJR-ZDUSSCGKSA-N 2 2 299.415 -0.378 20 0 CBADLP C[NH+](C)CCCC(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC001113277354 811628869 /nfs/dbraw/zinc/62/88/69/811628869.db2.gz JXLOYAYSWAKGSK-UHFFFAOYSA-N 2 2 294.403 -0.236 20 0 CBADLP C[NH+](C)CCC(=O)N1CC[NH+](CCOCCO)CC1 ZINC001113300358 811630455 /nfs/dbraw/zinc/63/04/55/811630455.db2.gz SHBGJHCZDCHQQY-UHFFFAOYSA-N 2 2 273.377 -0.909 20 0 CBADLP [NH3+]C[C@]1(F)CCCN(C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])CC1 ZINC001157754510 815462716 /nfs/dbraw/zinc/46/27/16/815462716.db2.gz KLOWTUCRLJKHIR-NHCYSSNCSA-N 3 2 258.341 -0.787 20 0 CBADLP C[C@@H]1CCN(C(=O)c2cnc3n2CC[NH2+]C3)C[C@@H]1[NH3+] ZINC001157828584 815469302 /nfs/dbraw/zinc/46/93/02/815469302.db2.gz GPNCTSFONCHSEV-ZJUUUORDSA-N 2 2 263.345 -0.204 20 0 CBADLP C[C@@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001157841107 815470522 /nfs/dbraw/zinc/47/05/22/815470522.db2.gz DZPSGWFAWCHUMX-WZRBSPASSA-N 3 2 279.388 -0.124 20 0 CBADLP C[C@@H]1[C@H](C[NH3+])CCCN1C(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001157844302 815470562 /nfs/dbraw/zinc/47/05/62/815470562.db2.gz VWXOMMRBBJAHRM-JFGNBEQYSA-N 3 2 265.361 -0.135 20 0 CBADLP C[C@H]1C[C@@H](CO)N(C(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)C1 ZINC001157853758 815472162 /nfs/dbraw/zinc/47/21/62/815472162.db2.gz NITVSAQHDYHTBX-ZPFDUUQYSA-N 2 2 253.346 -0.833 20 0 CBADLP C[C@@H]1CC[C@@H](CO)CN1C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001157856545 815473309 /nfs/dbraw/zinc/47/33/09/815473309.db2.gz VNFUMRXHEFCOKM-FOGDFJRCSA-N 2 2 266.345 -0.101 20 0 CBADLP C[C@@]1(O)CCN(C(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)C[C@@H]1F ZINC001157900423 815477637 /nfs/dbraw/zinc/47/76/37/815477637.db2.gz IYIJHPICWFDGCJ-DJIHRAIXSA-N 2 2 271.336 -0.741 20 0 CBADLP C[C@@]1(O)CCN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)C[C@@H]1F ZINC001157899585 815477699 /nfs/dbraw/zinc/47/76/99/815477699.db2.gz AEADMIFEHAUWRR-XPORZQOISA-N 2 2 271.336 -0.742 20 0 CBADLP C[C@]1(CO)CCCN(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)CC1 ZINC001157901225 815479115 /nfs/dbraw/zinc/47/91/15/815479115.db2.gz XRXUSINVUKFGRM-MDZLAQPJSA-N 2 2 255.362 -0.313 20 0 CBADLP O=C(N1C[C@H](CO)CC(F)(F)C1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001157901431 815479514 /nfs/dbraw/zinc/47/95/14/815479514.db2.gz ZYOQIBNZAMSADP-NRUUGDAUSA-N 2 2 289.326 -0.586 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCC[C@@H](C(F)(F)F)[C@H]2CO)C1 ZINC001157905545 815480043 /nfs/dbraw/zinc/48/00/43/815480043.db2.gz VDVXVJQVNUMXAX-DOLQZWNJSA-N 2 2 295.305 -0.163 20 0 CBADLP Cn1cnc2c1ncnc2NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001157914334 815481442 /nfs/dbraw/zinc/48/14/42/815481442.db2.gz BWFQKYYNORANPV-UHFFFAOYSA-N 2 2 274.332 -0.043 20 0 CBADLP Cn1cnc2ncnc(NC(=[NH2+])N3CC[NH+](C)CC3)c21 ZINC001157914405 815481698 /nfs/dbraw/zinc/48/16/98/815481698.db2.gz FUGJMHNASVEYGM-UHFFFAOYSA-N 2 2 274.332 -0.043 20 0 CBADLP CCNC(=O)c1ccc(NC(=[NH2+])N2CC[NH+](C)CC2)nn1 ZINC001157915561 815481710 /nfs/dbraw/zinc/48/17/10/815481710.db2.gz APYSPGYGDLGCJG-UHFFFAOYSA-N 2 2 291.359 -0.180 20 0 CBADLP O=C(N1CCNCC(F)(F)C1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001157936404 815488265 /nfs/dbraw/zinc/48/82/65/815488265.db2.gz FKYPIGMYCRNFKL-CABZTGNLSA-N 2 2 274.315 -0.995 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCC[C@@](F)(CO)CC2)C1 ZINC001157934554 815487716 /nfs/dbraw/zinc/48/77/16/815487716.db2.gz LUKCSEQTKOWSIV-SCVCMEIPSA-N 2 2 259.325 -0.611 20 0 CBADLP Cc1nc(CCN(C)C(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)no1 ZINC001157983571 815494504 /nfs/dbraw/zinc/49/45/04/815494504.db2.gz PNJCSTPCEXZACX-GWCFXTLKSA-N 2 2 279.344 -0.670 20 0 CBADLP Cc1nc(CCN(C)C(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)no1 ZINC001157983028 815494104 /nfs/dbraw/zinc/49/41/04/815494104.db2.gz LFAXZZYBIKKYOQ-JTQLQIEISA-N 2 2 278.316 -0.328 20 0 CBADLP O=C(N1CCC[C@](F)(CO)CC1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001157936204 815488801 /nfs/dbraw/zinc/48/88/01/815488801.db2.gz YQIQQUMUEBVTBQ-YUTCNCBUSA-N 2 2 285.363 -0.349 20 0 CBADLP [NH3+]C1(C(=O)N2CCC[C@@](F)(CO)CC2)CC[NH2+]CC1 ZINC001157935334 815488810 /nfs/dbraw/zinc/48/88/10/815488810.db2.gz UFNUNIHCXBDCOG-LBPRGKRZSA-N 2 2 273.352 -0.220 20 0 CBADLP O=C(N1CCc2n[nH]cc2C1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001157988184 815495645 /nfs/dbraw/zinc/49/56/45/815495645.db2.gz BMQBVTQQIOVYRV-MFKMUULPSA-N 2 2 261.329 -0.754 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)C[C@H]1CCC[NH2+]C1 ZINC001157997642 815495720 /nfs/dbraw/zinc/49/57/20/815495720.db2.gz BGNMJOOHLPYERC-NEPJUHHUSA-N 2 2 283.372 -0.260 20 0 CBADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)C[C@H]1CCC[NH2+]C1 ZINC001157997645 815495856 /nfs/dbraw/zinc/49/58/56/815495856.db2.gz BGNMJOOHLPYERC-VXGBXAGGSA-N 2 2 283.372 -0.260 20 0 CBADLP CCC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1C(=O)OCC ZINC001157999292 815496852 /nfs/dbraw/zinc/49/68/52/815496852.db2.gz QBJSZWANBQMOSN-UWVGGRQHSA-N 2 2 257.334 -0.523 20 0 CBADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC001157998110 815496908 /nfs/dbraw/zinc/49/69/08/815496908.db2.gz DVTRBLNGLGCYOG-AXFHLTTASA-N 2 2 283.372 -0.277 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1C[NH2+]CC[C@H]1C ZINC001158000167 815497064 /nfs/dbraw/zinc/49/70/64/815497064.db2.gz WJVONBIRERXEST-UTUOFQBUSA-N 2 2 283.372 -0.405 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@H]1CCC[NH2+][C@H]1C ZINC001157999006 815497309 /nfs/dbraw/zinc/49/73/09/815497309.db2.gz MHEHIWOQRMRXQI-SRVKXCTJSA-N 2 2 283.372 -0.262 20 0 CBADLP COC(=O)[C@@H]1C[C@H](F)CN1C(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001158014893 815497852 /nfs/dbraw/zinc/49/78/52/815497852.db2.gz OUNIVOXZIAFPKT-QYTUQVAYSA-N 2 2 285.319 -0.950 20 0 CBADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@@H]1C[NH2+]CC1(C)C ZINC001158007837 815497923 /nfs/dbraw/zinc/49/79/23/815497923.db2.gz WLCFDJSANZOVOC-WDEREUQCSA-N 2 2 283.372 -0.405 20 0 CBADLP COC(=O)[C@@H]1C[C@H](F)CN1C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001158013988 815498444 /nfs/dbraw/zinc/49/84/44/815498444.db2.gz ISHCSJJOSFORPV-LSJOCFKGSA-N 2 2 298.318 -0.598 20 0 CBADLP CC(C)(C)N(C[C@@H](O)CO)C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001158016709 815499551 /nfs/dbraw/zinc/49/95/51/815499551.db2.gz ZOYZHMWHBYWRDZ-MNOVXSKESA-N 2 2 284.360 -0.740 20 0 CBADLP [NH3+]C1CC2(C1)CCN(C(=O)[C@@]13CC[C@@H]([NH2+]1)[C@H]([NH3+])C3)CC2 ZINC001158082278 815502811 /nfs/dbraw/zinc/50/28/11/815502811.db2.gz NNXHZTQRMYGYKR-JMSVASOKSA-N 3 2 278.400 -0.062 20 0 CBADLP [NH3+]C1CC2(C1)CCN(C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])CC2 ZINC001158081671 815503252 /nfs/dbraw/zinc/50/32/52/815503252.db2.gz GGZDOOBTZHZWPA-QWRGUYRKSA-N 3 2 252.362 -0.737 20 0 CBADLP Cn1ccnc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114774277 812159324 /nfs/dbraw/zinc/15/93/24/812159324.db2.gz KVLMIWQVTRHMBM-JYAVWHMHSA-N 2 2 291.399 -0.082 20 0 CBADLP Cn1ccnc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114774277 812159328 /nfs/dbraw/zinc/15/93/28/812159328.db2.gz KVLMIWQVTRHMBM-JYAVWHMHSA-N 2 2 291.399 -0.082 20 0 CBADLP C[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cnon3)C[C@H]21 ZINC001114778799 812160517 /nfs/dbraw/zinc/16/05/17/812160517.db2.gz RPCBHONBEGKWMB-PJXYFTJBSA-N 2 2 279.344 -0.432 20 0 CBADLP C[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cnon3)C[C@H]21 ZINC001114778799 812160522 /nfs/dbraw/zinc/16/05/22/812160522.db2.gz RPCBHONBEGKWMB-PJXYFTJBSA-N 2 2 279.344 -0.432 20 0 CBADLP COC[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH]c[nH+]1 ZINC001114885867 812165814 /nfs/dbraw/zinc/16/58/14/812165814.db2.gz RLHGEHNLGWXPFU-CIQGVGRVSA-N 2 2 294.355 -0.994 20 0 CBADLP COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH]c[nH+]1 ZINC001114885867 812165816 /nfs/dbraw/zinc/16/58/16/812165816.db2.gz RLHGEHNLGWXPFU-CIQGVGRVSA-N 2 2 294.355 -0.994 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001114956356 812168580 /nfs/dbraw/zinc/16/85/80/812168580.db2.gz FUTPGFBYWXNILB-XEZLXBQYSA-N 2 2 278.356 -0.373 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001114956356 812168583 /nfs/dbraw/zinc/16/85/83/812168583.db2.gz FUTPGFBYWXNILB-XEZLXBQYSA-N 2 2 278.356 -0.373 20 0 CBADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001114956356 812168586 /nfs/dbraw/zinc/16/85/86/812168586.db2.gz FUTPGFBYWXNILB-XEZLXBQYSA-N 2 2 278.356 -0.373 20 0 CBADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001114956356 812168590 /nfs/dbraw/zinc/16/85/90/812168590.db2.gz FUTPGFBYWXNILB-XEZLXBQYSA-N 2 2 278.356 -0.373 20 0 CBADLP CCn1nnc2c1[C@H](C(=O)N1CC[C@@H]3[NH2+]CC[C@H]31)C[NH2+]C2 ZINC001158193181 815512028 /nfs/dbraw/zinc/51/20/28/815512028.db2.gz LCLZOHAGDOZUEJ-JFGNBEQYSA-N 2 2 290.371 -0.552 20 0 CBADLP NC(=S)Nc1ccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nc1 ZINC001158208985 815514358 /nfs/dbraw/zinc/51/43/58/815514358.db2.gz CCSVZXKBVSSZSF-MRVPVSSYSA-N 2 2 292.368 -0.215 20 0 CBADLP Nc1nc(Cl)cc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001158204280 815512540 /nfs/dbraw/zinc/51/25/40/815512540.db2.gz ULWHCVJBBSDOKV-ZCFIWIBFSA-N 2 2 268.708 -0.240 20 0 CBADLP COC(=O)c1ccnc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c1 ZINC001158203775 815512697 /nfs/dbraw/zinc/51/26/97/815512697.db2.gz PPEAUFOYKYFAMJ-SNVBAGLBSA-N 2 2 276.296 -0.084 20 0 CBADLP CN(C)c1cncc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001158202933 815512817 /nfs/dbraw/zinc/51/28/17/815512817.db2.gz AOOBWQDQTPDTDV-SECBINFHSA-N 2 2 262.317 -0.410 20 0 CBADLP COC(=O)c1cnc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)cn1 ZINC001158203404 815512825 /nfs/dbraw/zinc/51/28/25/815512825.db2.gz LAHVLBWINGSWCY-MRVPVSSYSA-N 2 2 277.284 -0.689 20 0 CBADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ncnc2c1CC[NH2+]C2 ZINC001158203955 815512866 /nfs/dbraw/zinc/51/28/66/815512866.db2.gz KIEXSAYWTSPQCX-SECBINFHSA-N 3 2 274.328 -0.830 20 0 CBADLP NC(=O)c1nc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)ccc1Cl ZINC001158202939 815512873 /nfs/dbraw/zinc/51/28/73/815512873.db2.gz AWCRKJLDRRWFOB-SSDOTTSWSA-N 2 2 295.730 -0.118 20 0 CBADLP Cn1cnc2ncnc(-n3c[nH+]cc3C[C@@H]([NH3+])CO)c21 ZINC001158204573 815513995 /nfs/dbraw/zinc/51/39/95/815513995.db2.gz REAYMQHQISBZTH-MRVPVSSYSA-N 2 2 273.300 -0.589 20 0 CBADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cc2c(nn1)CC[NH2+]C2 ZINC001158206649 815514053 /nfs/dbraw/zinc/51/40/53/815514053.db2.gz WVSNXYVTCHUUAV-SNVBAGLBSA-N 3 2 274.328 -0.830 20 0 CBADLP NC(=O)c1ccc(Cl)nc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001158204889 815514096 /nfs/dbraw/zinc/51/40/96/815514096.db2.gz UGPKJJRAZUZLJA-SSDOTTSWSA-N 2 2 295.730 -0.118 20 0 CBADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CCC2(COC2)C1 ZINC001158169996 815509123 /nfs/dbraw/zinc/50/91/23/815509123.db2.gz XYQWMPAHFVVOIS-GARJFASQSA-N 2 2 251.330 -0.815 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](C(=O)N2CC[C@@H]3[NH2+]CC[C@H]32)CC[NH2+]1 ZINC001158207685 815514337 /nfs/dbraw/zinc/51/43/37/815514337.db2.gz AESYKUZQVNVHJZ-FIQHERPVSA-N 2 2 281.356 -0.510 20 0 CBADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC2(C1)CCCO2 ZINC001158236206 815514721 /nfs/dbraw/zinc/51/47/21/815514721.db2.gz YSUQQANALUWMKH-JTQLQIEISA-N 2 2 250.302 -0.329 20 0 CBADLP O=C(N1C[C@@H]2OCC(F)(F)[C@@H]2C1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001158319416 815519397 /nfs/dbraw/zinc/51/93/97/815519397.db2.gz GUFICNSCTQVGCO-SVDPJWKOSA-N 2 2 287.310 -0.570 20 0 CBADLP Cc1[nH]c2c([nH+]1)CCN(C(=O)[C@@H]([NH3+])CC[S@](C)=O)CC2 ZINC001158347205 815521424 /nfs/dbraw/zinc/52/14/24/815521424.db2.gz HRALONLPDXAVBB-FVINQWEUSA-N 2 2 298.412 -0.259 20 0 CBADLP CC(=O)OC[C@H]([NH3+])C(=O)N1CCc2[nH]c(C)[nH+]c2CC1 ZINC001158339571 815521477 /nfs/dbraw/zinc/52/14/77/815521477.db2.gz RJYHVDAPCDZDGU-JTQLQIEISA-N 2 2 280.328 -0.464 20 0 CBADLP COC(=O)[C@@H]([NH3+])CCC(=O)N1CCc2[nH]c(C)[nH+]c2CC1 ZINC001158339288 815522093 /nfs/dbraw/zinc/52/20/93/815522093.db2.gz OBCUEXYARBVWIY-JTQLQIEISA-N 2 2 294.355 -0.074 20 0 CBADLP C[NH+]1CCN(C[C@H](O)C[NH2+]CCn2cc[nH+]c2)CC1 ZINC001118087723 812468114 /nfs/dbraw/zinc/46/81/14/812468114.db2.gz DSELLPJZDAYYRL-CYBMUJFWSA-N 3 2 267.377 -0.919 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@H]1CC[NH2+][C@@H]1C ZINC001118255857 812510649 /nfs/dbraw/zinc/51/06/49/812510649.db2.gz GPBGWOXCHCPRDM-VWYCJHECSA-N 2 2 269.345 -0.652 20 0 CBADLP O=C(NCC1C[NH2+]C1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001118483155 812553451 /nfs/dbraw/zinc/55/34/51/812553451.db2.gz VDJOGDMPTUKQII-GFCCVEGCSA-N 2 2 268.361 -0.678 20 0 CBADLP CCOC(=O)[C@]12C[C@H]1CCN2C(=O)C1([NH3+])CC[NH2+]CC1 ZINC001158533444 815537269 /nfs/dbraw/zinc/53/72/69/815537269.db2.gz LTNJJOLEDUUBOW-YGRLFVJLSA-N 2 2 281.356 -0.379 20 0 CBADLP Cn1cc[nH+]c1N1CC[NH+](C[C@@H]2CNC(=O)C2)CC1 ZINC001118557484 812575903 /nfs/dbraw/zinc/57/59/03/812575903.db2.gz PNRLYXUQUUFLTN-NSHDSACASA-N 2 2 263.345 -0.322 20 0 CBADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001158567169 815537997 /nfs/dbraw/zinc/53/79/97/815537997.db2.gz FKTJUIFUYOTHIC-YUSALJHKSA-N 3 2 295.362 -0.185 20 0 CBADLP COCC[NH+]1CCN(C(=O)CC[C@H]([NH3+])C(=O)OC)CC1 ZINC001158604861 815540496 /nfs/dbraw/zinc/54/04/96/815540496.db2.gz RXJHADHJRSICFH-NSHDSACASA-N 2 2 287.360 -0.943 20 0 CBADLP O=C(N1CCCC(=O)CC1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001158658909 815543226 /nfs/dbraw/zinc/54/32/26/815543226.db2.gz MQMUXZYYOSDNAT-MFKMUULPSA-N 2 2 251.330 -0.481 20 0 CBADLP C[NH+]1CCN(C2CCN(C(=O)[C@@H]3C[C@@H]3[NH3+])CC2)CC1 ZINC001119056838 812702274 /nfs/dbraw/zinc/70/22/74/812702274.db2.gz YBTKTLRTVWLOGN-OLZOCXBDSA-N 2 2 266.389 -0.428 20 0 CBADLP O=C1NC(=O)[C@]2(CCC[N@H+](CC34CC(C3)C[NH2+]4)C2)N1 ZINC001119090754 812708246 /nfs/dbraw/zinc/70/82/46/812708246.db2.gz MJURSWTXSDCDMU-UTVJUBTNSA-N 2 2 264.329 -0.588 20 0 CBADLP O=C1NC(=O)[C@]2(CCC[N@@H+](CC34CC(C3)C[NH2+]4)C2)N1 ZINC001119090754 812708249 /nfs/dbraw/zinc/70/82/49/812708249.db2.gz MJURSWTXSDCDMU-UTVJUBTNSA-N 2 2 264.329 -0.588 20 0 CBADLP C[C@H]1C[C@H]2CN(C(=O)[C@@]34C[NH2+]C[C@@H]3CC[NH2+]4)CC[C@H]2O1 ZINC001158855185 815549326 /nfs/dbraw/zinc/54/93/26/815549326.db2.gz FNBFBWHRPCYPCU-XOBFJNJYSA-N 2 2 279.384 -0.036 20 0 CBADLP Cn1c[nH+]cc1CC[N@H+](CCO)CCOCCO ZINC001119253329 812733406 /nfs/dbraw/zinc/73/34/06/812733406.db2.gz GTSVOAOFDLPPGG-UHFFFAOYSA-N 2 2 257.334 -0.734 20 0 CBADLP Cn1c[nH+]cc1CC[N@@H+](CCO)CCOCCO ZINC001119253329 812733409 /nfs/dbraw/zinc/73/34/09/812733409.db2.gz GTSVOAOFDLPPGG-UHFFFAOYSA-N 2 2 257.334 -0.734 20 0 CBADLP [NH3+][C@H]1CCCN(C(=O)C(=O)N2CCn3c[nH+]cc3C2)C1 ZINC001119544216 812804553 /nfs/dbraw/zinc/80/45/53/812804553.db2.gz HVTFIOURCQJIAC-JTQLQIEISA-N 2 2 277.328 -0.825 20 0 CBADLP COCc1n[nH]c2c1CN(C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)C2 ZINC001159090967 815558311 /nfs/dbraw/zinc/55/83/11/815558311.db2.gz IUIXJUZPZPWTHR-APPZFPTMSA-N 2 2 265.317 -0.913 20 0 CBADLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1C[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC001120363167 812954264 /nfs/dbraw/zinc/95/42/64/812954264.db2.gz PHNQCMPARCXAJG-KXNHARMFSA-N 2 2 258.387 -0.182 20 0 CBADLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1C[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC001120363167 812954269 /nfs/dbraw/zinc/95/42/69/812954269.db2.gz PHNQCMPARCXAJG-KXNHARMFSA-N 2 2 258.387 -0.182 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@@H](O)C[C@@]1(O)CCOC1 ZINC001120376875 812955415 /nfs/dbraw/zinc/95/54/15/812955415.db2.gz NMGFBUZOELYRID-AGIUHOORSA-N 2 2 269.345 -0.236 20 0 CBADLP C[C@H]([NH3+])[C@H](C)NC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001120547448 812989443 /nfs/dbraw/zinc/98/94/43/812989443.db2.gz ZTQZSNVNZKMXDT-UWVGGRQHSA-N 3 2 257.382 -0.556 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)N[C@]23C[C@H]2COC3)CC1 ZINC001120561478 812991996 /nfs/dbraw/zinc/99/19/96/812991996.db2.gz UISAMCLJVZVCTQ-GWCFXTLKSA-N 2 2 268.361 -0.502 20 0 CBADLP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)CC1 ZINC001120596349 812997329 /nfs/dbraw/zinc/99/73/29/812997329.db2.gz SXSCEQYCEUQHRS-HOTGVXAUSA-N 3 2 298.475 -0.084 20 0 CBADLP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)CC1 ZINC001120596349 812997337 /nfs/dbraw/zinc/99/73/37/812997337.db2.gz SXSCEQYCEUQHRS-HOTGVXAUSA-N 3 2 298.475 -0.084 20 0 CBADLP O[C@@H](C[NH2+][C@H]1Cc2cncn2C1)C[NH+]1CCCC1 ZINC001120602737 812998561 /nfs/dbraw/zinc/99/85/61/812998561.db2.gz GUOWVTLIYNTHKD-AAEUAGOBSA-N 2 2 250.346 -0.146 20 0 CBADLP [NH3+]C/C=C/CNC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001120631848 813003118 /nfs/dbraw/zinc/00/31/18/813003118.db2.gz UZLSACYHADRRDI-OWOJBTEDSA-N 3 2 255.366 -0.776 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[NH+]3CCC2CC3)C1 ZINC001120688233 813010747 /nfs/dbraw/zinc/01/07/47/813010747.db2.gz ZONGJCRUIVVLCT-RYUDHWBXSA-N 2 2 253.346 -0.473 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[NH+]3CCC2CC3)C1 ZINC001120688233 813010756 /nfs/dbraw/zinc/01/07/56/813010756.db2.gz ZONGJCRUIVVLCT-RYUDHWBXSA-N 2 2 253.346 -0.473 20 0 CBADLP [NH3+][C@H](CC(=O)NCC[N@@H+]1CCCOCC1)C(F)F ZINC001121963666 813097382 /nfs/dbraw/zinc/09/73/82/813097382.db2.gz KOMCFIWDSRYSRU-SECBINFHSA-N 2 2 265.304 -0.193 20 0 CBADLP [NH3+][C@H](CC(=O)NCC[N@H+]1CCCOCC1)C(F)F ZINC001121963666 813097391 /nfs/dbraw/zinc/09/73/91/813097391.db2.gz KOMCFIWDSRYSRU-SECBINFHSA-N 2 2 265.304 -0.193 20 0 CBADLP [NH3+][C@H](CO)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC001121991582 813101516 /nfs/dbraw/zinc/10/15/16/813101516.db2.gz UPRZBLQICNOJMA-SNVBAGLBSA-N 2 2 252.318 -0.802 20 0 CBADLP C[C@]1(C(=O)N[C@H]2CCC[N@H+](CC(N)=O)C2)CCC[NH2+]1 ZINC001121988825 813101767 /nfs/dbraw/zinc/10/17/67/813101767.db2.gz NEVMSZSDPPHOKX-GXFFZTMASA-N 2 2 268.361 -0.806 20 0 CBADLP C[C@]1(C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)C2)CCC[NH2+]1 ZINC001121988825 813101772 /nfs/dbraw/zinc/10/17/72/813101772.db2.gz NEVMSZSDPPHOKX-GXFFZTMASA-N 2 2 268.361 -0.806 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC001122067298 813111909 /nfs/dbraw/zinc/11/19/09/813111909.db2.gz CCZAYFUQQAEBOG-MWLCHTKSSA-N 2 2 252.318 -0.307 20 0 CBADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC001122067298 813111911 /nfs/dbraw/zinc/11/19/11/813111911.db2.gz CCZAYFUQQAEBOG-MWLCHTKSSA-N 2 2 252.318 -0.307 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1COC2(C[NH2+]C2)C1 ZINC001122063914 813112078 /nfs/dbraw/zinc/11/20/78/813112078.db2.gz QLLDOIZPDZLVDD-KOLCDFICSA-N 2 2 264.329 -0.165 20 0 CBADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1COC2(C[NH2+]C2)C1 ZINC001122063914 813112081 /nfs/dbraw/zinc/11/20/81/813112081.db2.gz QLLDOIZPDZLVDD-KOLCDFICSA-N 2 2 264.329 -0.165 20 0 CBADLP C[C@@H]1C[NH2+][C@@H](C)[C@@H](C)N1C(=O)CN1CC[NH2+]CC1=O ZINC001122182488 813129196 /nfs/dbraw/zinc/12/91/96/813129196.db2.gz VRYXVHOYMQSLAL-OUAUKWLOSA-N 2 2 268.361 -0.985 20 0 CBADLP C[C@H]([NH2+]CCCNC(=O)CCc1c[nH]c[nH+]1)C(=O)N(C)C ZINC001159537375 815579157 /nfs/dbraw/zinc/57/91/57/815579157.db2.gz WKKHLOWLSACLGL-NSHDSACASA-N 2 2 295.387 -0.085 20 0 CBADLP C[C@H]([NH2+]CCCNC(=O)CCc1c[nH+]c[nH]1)C(=O)N(C)C ZINC001159537375 815579162 /nfs/dbraw/zinc/57/91/62/815579162.db2.gz WKKHLOWLSACLGL-NSHDSACASA-N 2 2 295.387 -0.085 20 0 CBADLP O=C(Nc1cc2n(n1)CC[NH2+]C2)[C@H]1CSC[NH2+]1 ZINC001122291723 813141050 /nfs/dbraw/zinc/14/10/50/813141050.db2.gz XUIRNRDSYBTRDP-MRVPVSSYSA-N 2 2 253.331 -0.413 20 0 CBADLP C[C@@H](NC(=O)[C@H]1C[C@H]([NH3+])C1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001122448297 813165077 /nfs/dbraw/zinc/16/50/77/813165077.db2.gz MEZGFYYOSILBMF-KKOKHZNYSA-N 2 2 254.378 -0.526 20 0 CBADLP C[C@@H](NC(=O)[C@H]1C[C@H]([NH3+])C1)[C@@H]1CN(C)CC[N@H+]1C ZINC001122448297 813165080 /nfs/dbraw/zinc/16/50/80/813165080.db2.gz MEZGFYYOSILBMF-KKOKHZNYSA-N 2 2 254.378 -0.526 20 0 CBADLP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCCCn1cc[nH+]c1 ZINC001123476855 813241418 /nfs/dbraw/zinc/24/14/18/813241418.db2.gz RHTQNFPZQWUCTR-QWHCGFSZSA-N 2 2 277.372 -0.222 20 0 CBADLP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCCCn1cc[nH+]c1 ZINC001123476855 813241422 /nfs/dbraw/zinc/24/14/22/813241422.db2.gz RHTQNFPZQWUCTR-QWHCGFSZSA-N 2 2 277.372 -0.222 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cnsn1 ZINC001124872283 813491242 /nfs/dbraw/zinc/49/12/42/813491242.db2.gz DHKWQUJTCMXVNZ-JTQLQIEISA-N 2 2 269.374 -0.162 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cnsn1 ZINC001124872283 813491247 /nfs/dbraw/zinc/49/12/47/813491247.db2.gz DHKWQUJTCMXVNZ-JTQLQIEISA-N 2 2 269.374 -0.162 20 0 CBADLP Cc1cc(C[NH2+]CCNC(=O)[C@H]2C[N@H+](C)CCO2)nn1C ZINC001125219789 813532318 /nfs/dbraw/zinc/53/23/18/813532318.db2.gz BVVJLDQDUXAGOW-CYBMUJFWSA-N 2 2 295.387 -0.735 20 0 CBADLP Cc1cc(C[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)CCO2)nn1C ZINC001125219789 813532321 /nfs/dbraw/zinc/53/23/21/813532321.db2.gz BVVJLDQDUXAGOW-CYBMUJFWSA-N 2 2 295.387 -0.735 20 0 CBADLP Cc1cc(C[NH2+]CCNC(=O)[C@@H]2C[N@H+](C)CCO2)on1 ZINC001125213877 813533060 /nfs/dbraw/zinc/53/30/60/813533060.db2.gz MGOYNMUPYIVGDC-LBPRGKRZSA-N 2 2 282.344 -0.481 20 0 CBADLP Cc1cc(C[NH2+]CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)on1 ZINC001125213877 813533066 /nfs/dbraw/zinc/53/30/66/813533066.db2.gz MGOYNMUPYIVGDC-LBPRGKRZSA-N 2 2 282.344 -0.481 20 0 CBADLP Cc1ncoc1C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125222878 813534272 /nfs/dbraw/zinc/53/42/72/813534272.db2.gz XVPCKQGKVGKHKN-LBPRGKRZSA-N 2 2 282.344 -0.481 20 0 CBADLP Cc1ncoc1C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125222878 813534277 /nfs/dbraw/zinc/53/42/77/813534277.db2.gz XVPCKQGKVGKHKN-LBPRGKRZSA-N 2 2 282.344 -0.481 20 0 CBADLP Cc1nnsc1C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125221735 813534372 /nfs/dbraw/zinc/53/43/72/813534372.db2.gz SYVKTOZHXWQRIM-JTQLQIEISA-N 2 2 299.400 -0.617 20 0 CBADLP Cc1nnsc1C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125221735 813534376 /nfs/dbraw/zinc/53/43/76/813534376.db2.gz SYVKTOZHXWQRIM-JTQLQIEISA-N 2 2 299.400 -0.617 20 0 CBADLP COc1cc(C[NH2+]CCNC(=O)[C@H]2C[N@H+](C)CCO2)on1 ZINC001125223141 813534645 /nfs/dbraw/zinc/53/46/45/813534645.db2.gz YKXDWRIZDUVFLI-LLVKDONJSA-N 2 2 298.343 -0.780 20 0 CBADLP COc1cc(C[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)CCO2)on1 ZINC001125223141 813534653 /nfs/dbraw/zinc/53/46/53/813534653.db2.gz YKXDWRIZDUVFLI-LLVKDONJSA-N 2 2 298.343 -0.780 20 0 CBADLP COc1cc(C[NH2+]CCNC(=O)[C@@H]2C[N@H+](C)CCO2)on1 ZINC001125223142 813534834 /nfs/dbraw/zinc/53/48/34/813534834.db2.gz YKXDWRIZDUVFLI-NSHDSACASA-N 2 2 298.343 -0.780 20 0 CBADLP COc1cc(C[NH2+]CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)on1 ZINC001125223142 813534840 /nfs/dbraw/zinc/53/48/40/813534840.db2.gz YKXDWRIZDUVFLI-NSHDSACASA-N 2 2 298.343 -0.780 20 0 CBADLP C[C@@H]([NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1)c1cnccn1 ZINC001125223174 813534892 /nfs/dbraw/zinc/53/48/92/813534892.db2.gz YOZLJPYZMRRRTA-YPMHNXCESA-N 2 2 293.371 -0.426 20 0 CBADLP C[C@@H]([NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)c1cnccn1 ZINC001125223174 813534898 /nfs/dbraw/zinc/53/48/98/813534898.db2.gz YOZLJPYZMRRRTA-YPMHNXCESA-N 2 2 293.371 -0.426 20 0 CBADLP CN1CCC[C@@H]([NH2+]CCNC(=O)CCc2[nH]cc[nH+]2)C1=O ZINC001126436755 813647661 /nfs/dbraw/zinc/64/76/61/813647661.db2.gz KOYQUMSLNZWPNB-LLVKDONJSA-N 2 2 293.371 -0.331 20 0 CBADLP O=C(CCc1[nH]cc[nH+]1)NCC[NH2+]CC(=O)NC1CC1 ZINC001126436968 813647962 /nfs/dbraw/zinc/64/79/62/813647962.db2.gz PKRNVXOYJNBAAG-UHFFFAOYSA-N 2 2 279.344 -0.673 20 0 CBADLP CCN(CC)C(=O)C[NH2+]CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001126436508 813648414 /nfs/dbraw/zinc/64/84/14/813648414.db2.gz DFSPLIZLDUNBCT-UHFFFAOYSA-N 2 2 295.387 -0.084 20 0 CBADLP C[N@@H+]1CCC[C@@H]1c1cc(C(=O)NCC[NH2+]CCO)[nH]n1 ZINC001127772679 813747690 /nfs/dbraw/zinc/74/76/90/813747690.db2.gz JPWSVADCJYUFGJ-GFCCVEGCSA-N 2 2 281.360 -0.512 20 0 CBADLP C[N@H+]1CCC[C@@H]1c1cc(C(=O)NCC[NH2+]CCO)[nH]n1 ZINC001127772679 813747695 /nfs/dbraw/zinc/74/76/95/813747695.db2.gz JPWSVADCJYUFGJ-GFCCVEGCSA-N 2 2 281.360 -0.512 20 0 CBADLP CC(C)NC(=O)C[NH2+]CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001128986372 813814249 /nfs/dbraw/zinc/81/42/49/813814249.db2.gz UHIALPZADGFSHS-UHFFFAOYSA-N 2 2 281.360 -0.427 20 0 CBADLP C[NH+](C)[C@@H](C(=O)NCC[NH2+]CCS(C)(=O)=O)C1CC1 ZINC001129437222 813844749 /nfs/dbraw/zinc/84/47/49/813844749.db2.gz XZFUMBGOSMHGHW-LLVKDONJSA-N 2 2 291.417 -0.923 20 0 CBADLP O=C(NCC[NH2+][C@H]1CCNC1=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001129891628 813876328 /nfs/dbraw/zinc/87/63/28/813876328.db2.gz PROMWHDIXUUYBZ-BBBLOLIVSA-N 2 2 277.328 -0.893 20 0 CBADLP COc1cc[nH+]cc1CC(=O)NCC[NH2+]CCO ZINC001130176423 813914402 /nfs/dbraw/zinc/91/44/02/813914402.db2.gz NRJMWOQZKHAGRQ-UHFFFAOYSA-N 2 2 253.302 -0.669 20 0 CBADLP CC[C@H](C(=O)NCC[NH2+]CCS(C)(=O)=O)[NH+](C)C ZINC001130197029 813916504 /nfs/dbraw/zinc/91/65/04/813916504.db2.gz BJLLMKMKIMCFQP-SNVBAGLBSA-N 2 2 279.406 -0.923 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001130403736 813937073 /nfs/dbraw/zinc/93/70/73/813937073.db2.gz BHMZEZWUGMJTNO-WDEREUQCSA-N 2 2 293.371 -0.714 20 0 CBADLP COCC[NH2+]CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001130487027 813943504 /nfs/dbraw/zinc/94/35/04/813943504.db2.gz BLGYOUPTNJCFOC-NSHDSACASA-N 2 2 266.345 -0.202 20 0 CBADLP COC[C@@H](O)C[NH2+]CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001130481620 813943831 /nfs/dbraw/zinc/94/38/31/813943831.db2.gz XQPYGQDZHXDZLF-RYUDHWBXSA-N 2 2 296.371 -0.841 20 0 CBADLP C[C@H]([NH2+]CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1)C(N)=O ZINC001130477182 813943964 /nfs/dbraw/zinc/94/39/64/813943964.db2.gz BZMCPVUQMLWTKE-VHSXEESVSA-N 2 2 279.344 -0.975 20 0 CBADLP CN(C)C(=O)C[NH2+]CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001130481794 813944113 /nfs/dbraw/zinc/94/41/13/813944113.db2.gz ZHYYKPKBMDZNCV-LLVKDONJSA-N 2 2 293.371 -0.761 20 0 CBADLP C[C@@H](O)C[NH2+]CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001130488650 813945814 /nfs/dbraw/zinc/94/58/14/813945814.db2.gz SUZUFVRXYNXKRV-MNOVXSKESA-N 2 2 266.345 -0.468 20 0 CBADLP COC[C@@H](O)C[NH2+]CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001130488150 813945986 /nfs/dbraw/zinc/94/59/86/813945986.db2.gz NFZXETVWJADUGK-AAEUAGOBSA-N 2 2 296.371 -0.841 20 0 CBADLP C[C@@H](O)C[NH2+]CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001130488649 813946386 /nfs/dbraw/zinc/94/63/86/813946386.db2.gz SUZUFVRXYNXKRV-GHMZBOCLSA-N 2 2 266.345 -0.468 20 0 CBADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)NCC[NH2+]CC(N)=O)C2 ZINC001130491717 813946487 /nfs/dbraw/zinc/94/64/87/813946487.db2.gz ZGKYNBQSEBRRKJ-VIFPVBQESA-N 2 2 279.344 -0.986 20 0 CBADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)NCC[NH2+]CC(N)=O)CC2 ZINC001130491717 813946489 /nfs/dbraw/zinc/94/64/89/813946489.db2.gz ZGKYNBQSEBRRKJ-VIFPVBQESA-N 2 2 279.344 -0.986 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cccc2[nH+]ccn21 ZINC001131270733 814015988 /nfs/dbraw/zinc/01/59/88/814015988.db2.gz RIXNBJHXCTVFOC-SNVBAGLBSA-N 2 2 289.339 -0.212 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NCC[NH2+]Cc1nccn1C ZINC001131377428 814027954 /nfs/dbraw/zinc/02/79/54/814027954.db2.gz QQWOLNJGNDPESK-UHFFFAOYSA-N 2 2 276.344 -0.169 20 0 CBADLP CC[N@@H+]1CCNC(=O)CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001131397258 814029222 /nfs/dbraw/zinc/02/92/22/814029222.db2.gz ZCDXFRMYLGWVPX-UHFFFAOYSA-N 2 2 298.431 -0.003 20 0 CBADLP CC[N@H+]1CCNC(=O)CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001131397258 814029227 /nfs/dbraw/zinc/02/92/27/814029227.db2.gz ZCDXFRMYLGWVPX-UHFFFAOYSA-N 2 2 298.431 -0.003 20 0 CBADLP CC[NH+]1CCNC(=O)CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001131397258 814029231 /nfs/dbraw/zinc/02/92/31/814029231.db2.gz ZCDXFRMYLGWVPX-UHFFFAOYSA-N 2 2 298.431 -0.003 20 0 CBADLP CC[NH+]1CCNC(=O)CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001131397258 814029233 /nfs/dbraw/zinc/02/92/33/814029233.db2.gz ZCDXFRMYLGWVPX-UHFFFAOYSA-N 2 2 298.431 -0.003 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)NCC[NH2+]CC(=O)N1CCC1 ZINC001131639817 814048746 /nfs/dbraw/zinc/04/87/46/814048746.db2.gz PEMMROYBZNDMSC-UHFFFAOYSA-N 2 2 293.371 -0.709 20 0 CBADLP CC(C)NC(=O)C[NH2+]CCNC(=O)CCc1[nH+]ccn1C ZINC001131639196 814048796 /nfs/dbraw/zinc/04/87/96/814048796.db2.gz BKLUGCREPVQJGI-UHFFFAOYSA-N 2 2 295.387 -0.417 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)NCC[NH2+]CCCO ZINC001131655856 814050666 /nfs/dbraw/zinc/05/06/66/814050666.db2.gz FHVWZGFWLXSKLN-UHFFFAOYSA-N 2 2 254.334 -0.559 20 0 CBADLP C[C@H](O)C[NH2+]CCNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC001131824657 814071156 /nfs/dbraw/zinc/07/11/56/814071156.db2.gz FIVMVZPTXHFZIA-JSGCOSHPSA-N 2 2 299.415 -0.426 20 0 CBADLP C[C@H](O)C[NH2+]CCNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC001131824657 814071162 /nfs/dbraw/zinc/07/11/62/814071162.db2.gz FIVMVZPTXHFZIA-JSGCOSHPSA-N 2 2 299.415 -0.426 20 0 CBADLP CC(C)NC(=O)C[NH2+]CCNC(=O)CCn1cc[nH+]c1 ZINC001132079662 814099461 /nfs/dbraw/zinc/09/94/61/814099461.db2.gz HILNDFKOQYJXCO-UHFFFAOYSA-N 2 2 281.360 -0.496 20 0 CBADLP O=C(CCn1cc[nH+]c1)NCC[NH2+][C@@H]1CCCNC1=O ZINC001132079664 814100653 /nfs/dbraw/zinc/10/06/53/814100653.db2.gz HKKDJQVKDJHOLA-LLVKDONJSA-N 2 2 279.344 -0.742 20 0 CBADLP O=C(CCn1cc[nH+]c1)NCC[NH2+]CC(=O)NCC1CC1 ZINC001132079944 814100722 /nfs/dbraw/zinc/10/07/22/814100722.db2.gz ULXXZPJIZVMAAM-UHFFFAOYSA-N 2 2 293.371 -0.495 20 0 CBADLP Cn1cc(CC[NH2+]CCNC(=O)CCn2cc[nH+]c2)cn1 ZINC001132081775 814100757 /nfs/dbraw/zinc/10/07/57/814100757.db2.gz DOPNSUDVCXARET-UHFFFAOYSA-N 2 2 290.371 -0.045 20 0 CBADLP C[C@H]([NH2+]CCNC(=O)CCn1cc[nH+]c1)C(=O)N(C)C ZINC001132082231 814100778 /nfs/dbraw/zinc/10/07/78/814100778.db2.gz JXHVUSOTGRMNIW-NSHDSACASA-N 2 2 281.360 -0.544 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]CCNC(=O)CCn1cc[nH+]c1 ZINC001132082685 814101921 /nfs/dbraw/zinc/10/19/21/814101921.db2.gz UEOUXIHADKMOJN-JTQLQIEISA-N 2 2 267.333 -0.887 20 0 CBADLP Cn1nccc1CC[NH2+]CCNC(=O)CCn1cc[nH+]c1 ZINC001132082632 814103102 /nfs/dbraw/zinc/10/31/02/814103102.db2.gz SFHJXUABGOITMR-UHFFFAOYSA-N 2 2 290.371 -0.045 20 0 CBADLP C[C@H]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C[N@@H+]1CC(N)=O ZINC001132265670 814117955 /nfs/dbraw/zinc/11/79/55/814117955.db2.gz QVFPTMMXVALHNQ-RYUDHWBXSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@H]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C[N@H+]1CC(N)=O ZINC001132265670 814117963 /nfs/dbraw/zinc/11/79/63/814117963.db2.gz QVFPTMMXVALHNQ-RYUDHWBXSA-N 2 2 296.415 -0.217 20 0 CBADLP O=C(NCC[NH2+]CCO)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001132784379 814189451 /nfs/dbraw/zinc/18/94/51/814189451.db2.gz RYFYYDNSGKRCBH-ZDUSSCGKSA-N 2 2 285.388 -0.672 20 0 CBADLP O=C(NCC[NH2+]CCO)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001132784379 814189454 /nfs/dbraw/zinc/18/94/54/814189454.db2.gz RYFYYDNSGKRCBH-ZDUSSCGKSA-N 2 2 285.388 -0.672 20 0 CBADLP CC(C)[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2cnon2)C1 ZINC001132848457 814193817 /nfs/dbraw/zinc/19/38/17/814193817.db2.gz IIYYPRLMOHUCGC-LBPRGKRZSA-N 2 2 297.359 -0.615 20 0 CBADLP CC(C)[N@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2cnon2)C1 ZINC001132848457 814193821 /nfs/dbraw/zinc/19/38/21/814193821.db2.gz IIYYPRLMOHUCGC-LBPRGKRZSA-N 2 2 297.359 -0.615 20 0 CBADLP Cc1noc(C[NH2+]CCNC(=O)C2(C[NH+](C)C)CC2)n1 ZINC001132993414 814207100 /nfs/dbraw/zinc/20/71/00/814207100.db2.gz SQXDDOLLTWNMLP-UHFFFAOYSA-N 2 2 281.360 -0.074 20 0 CBADLP C[NH+]1CCC(C(=O)NCC[NH2+]Cc2cnon2)CC1 ZINC001133281695 814236008 /nfs/dbraw/zinc/23/60/08/814236008.db2.gz IAQUILNFUZGQON-UHFFFAOYSA-N 2 2 267.333 -0.383 20 0 CBADLP Cc1nnc(C[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+](C)C)[nH]1 ZINC001133418956 814252548 /nfs/dbraw/zinc/25/25/48/814252548.db2.gz FXOVRNUXNDHUKC-GFCCVEGCSA-N 2 2 282.392 -0.095 20 0 CBADLP CC[C@@H]([NH2+]CCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21)C(N)=O ZINC001133663074 814283062 /nfs/dbraw/zinc/28/30/62/814283062.db2.gz BVORBLAKQSNCIW-NXEZZACHSA-N 2 2 293.371 -0.201 20 0 CBADLP COC[C@@H](O)C[NH2+]CCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001133664750 814283382 /nfs/dbraw/zinc/28/33/82/814283382.db2.gz YUBLHRGFORORKY-QWRGUYRKSA-N 2 2 296.371 -0.457 20 0 CBADLP Cc1nnc(C[NH2+]CCNC(=O)C[N@H+]2CCC[C@H]2C)[nH]1 ZINC001133823550 814303282 /nfs/dbraw/zinc/30/32/82/814303282.db2.gz IYGRCDFCMVXRPY-SNVBAGLBSA-N 2 2 280.376 -0.197 20 0 CBADLP Cc1nnc(C[NH2+]CCNC(=O)C[N@@H+]2CCC[C@H]2C)[nH]1 ZINC001133823550 814303290 /nfs/dbraw/zinc/30/32/90/814303290.db2.gz IYGRCDFCMVXRPY-SNVBAGLBSA-N 2 2 280.376 -0.197 20 0 CBADLP Cc1nnc(C[NH2+]CCNC(=O)C[N@H+]2CC[C@@H](C)C2)[nH]1 ZINC001133845527 814308329 /nfs/dbraw/zinc/30/83/29/814308329.db2.gz IAUYINZVOPKZOS-SNVBAGLBSA-N 2 2 280.376 -0.339 20 0 CBADLP Cc1nnc(C[NH2+]CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)[nH]1 ZINC001133845527 814308333 /nfs/dbraw/zinc/30/83/33/814308333.db2.gz IAUYINZVOPKZOS-SNVBAGLBSA-N 2 2 280.376 -0.339 20 0 CBADLP C[C@@H]1CC[N@H+](CC(=O)NCC[NH2+]CCS(C)(=O)=O)C1 ZINC001133846150 814308546 /nfs/dbraw/zinc/30/85/46/814308546.db2.gz UYBXDPKQHWXGFT-LLVKDONJSA-N 2 2 291.417 -0.921 20 0 CBADLP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH2+]CCS(C)(=O)=O)C1 ZINC001133846150 814308556 /nfs/dbraw/zinc/30/85/56/814308556.db2.gz UYBXDPKQHWXGFT-LLVKDONJSA-N 2 2 291.417 -0.921 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]Cc1nncs1 ZINC001133862810 814310621 /nfs/dbraw/zinc/31/06/21/814310621.db2.gz GHJRHUVQRMOZGH-ZJUUUORDSA-N 2 2 283.401 -0.058 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]Cc1nncs1 ZINC001133862810 814310624 /nfs/dbraw/zinc/31/06/24/814310624.db2.gz GHJRHUVQRMOZGH-ZJUUUORDSA-N 2 2 283.401 -0.058 20 0 CBADLP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]Cc1nncs1 ZINC001133862808 814312005 /nfs/dbraw/zinc/31/20/05/814312005.db2.gz GHJRHUVQRMOZGH-VHSXEESVSA-N 2 2 283.401 -0.058 20 0 CBADLP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]Cc1nncs1 ZINC001133862808 814312013 /nfs/dbraw/zinc/31/20/13/814312013.db2.gz GHJRHUVQRMOZGH-VHSXEESVSA-N 2 2 283.401 -0.058 20 0 CBADLP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]Cc1nncs1 ZINC001133862807 814312210 /nfs/dbraw/zinc/31/22/10/814312210.db2.gz GHJRHUVQRMOZGH-UWVGGRQHSA-N 2 2 283.401 -0.058 20 0 CBADLP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]Cc1nncs1 ZINC001133862807 814312218 /nfs/dbraw/zinc/31/22/18/814312218.db2.gz GHJRHUVQRMOZGH-UWVGGRQHSA-N 2 2 283.401 -0.058 20 0 CBADLP CC[C@@H]([NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(N)=O ZINC001134043316 814346865 /nfs/dbraw/zinc/34/68/65/814346865.db2.gz WOTWFGKRKCEBKI-GMTAPVOTSA-N 2 2 293.371 -0.507 20 0 CBADLP C[C@@H]([NH2+]CCNC(=O)Cc1c[nH]c[nH+]1)C(=O)NC1CC1 ZINC001134400681 814381251 /nfs/dbraw/zinc/38/12/51/814381251.db2.gz MYSLRSKHFVBNLE-SECBINFHSA-N 2 2 279.344 -0.675 20 0 CBADLP Cc1nc(C)n(CC[NH2+]CCNC(=O)Cc2c[nH]c[nH+]2)n1 ZINC001134393892 814381335 /nfs/dbraw/zinc/38/13/35/814381335.db2.gz SEBUPVJNNWFEDS-UHFFFAOYSA-N 2 2 291.359 -0.433 20 0 CBADLP CC(C)COC[C@@H](O)C[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001134401329 814381388 /nfs/dbraw/zinc/38/13/88/814381388.db2.gz YOGLWIRCVOVIFJ-ZDUSSCGKSA-N 2 2 298.387 -0.309 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NCC[NH2+]CC(=O)N1CCCCC1 ZINC001134407107 814383020 /nfs/dbraw/zinc/38/30/20/814383020.db2.gz QXGPBTLVMXBKEG-UHFFFAOYSA-N 2 2 293.371 -0.330 20 0 CBADLP CC(C)[C@@H](C)NC(=O)C[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001134406922 814383665 /nfs/dbraw/zinc/38/36/65/814383665.db2.gz IEBCSTGFFVLTKG-LLVKDONJSA-N 2 2 295.387 -0.181 20 0 CBADLP C[C@H](CC(=O)NCC[NH2+][C@H](C)C(N)=O)n1cc[nH+]c1 ZINC001134499161 814388271 /nfs/dbraw/zinc/38/82/71/814388271.db2.gz XNTXGAWHWKGRNG-NXEZZACHSA-N 2 2 267.333 -0.586 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001134499188 814389532 /nfs/dbraw/zinc/38/95/32/814389532.db2.gz XYFXDCMNFMQVEH-WDEREUQCSA-N 2 2 281.360 -0.326 20 0 CBADLP O=C(NCC[NH2+]CCO)C1([NH+]2CCOCC2)CCCC1 ZINC001134616048 814400147 /nfs/dbraw/zinc/40/01/47/814400147.db2.gz AMIJMAYWQWCTQA-UHFFFAOYSA-N 2 2 285.388 -0.671 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+][C@@H](C)C(N)=O ZINC001135071353 814434672 /nfs/dbraw/zinc/43/46/72/814434672.db2.gz FDEPYCLREWPAIJ-BDAKNGLRSA-N 2 2 267.333 -0.832 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+][C@H]1CCN(C)C1=O ZINC001135072475 814435764 /nfs/dbraw/zinc/43/57/64/814435764.db2.gz XIBDFWALWIKDSA-PWSUYJOCSA-N 2 2 293.371 -0.475 20 0 CBADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[NH2+][C@H]1CCN(C)C1=O ZINC001135072475 814435770 /nfs/dbraw/zinc/43/57/70/814435770.db2.gz XIBDFWALWIKDSA-PWSUYJOCSA-N 2 2 293.371 -0.475 20 0 CBADLP Cc1nocc1C[NH2+]CCNC(=O)CC[NH+]1CCOCC1 ZINC001135350096 814467998 /nfs/dbraw/zinc/46/79/98/814467998.db2.gz LNVDAWARJXYXFF-UHFFFAOYSA-N 2 2 296.371 -0.089 20 0 CBADLP CC(C)C(=O)N[C@@H]1[C@H]2CN(C(=O)C3([NH3+])CC[NH2+]CC3)C[C@H]21 ZINC001160095479 815610488 /nfs/dbraw/zinc/61/04/88/815610488.db2.gz XLCXHHRETNXCBP-GDNZZTSVSA-N 2 2 294.399 -0.704 20 0 CBADLP C[C@H](C[C@@H](C)[NH2+]CCO)NC(=O)Cc1c[nH]c[nH+]1 ZINC001135558126 814489780 /nfs/dbraw/zinc/48/97/80/814489780.db2.gz YWTONDKLEYWRJD-NXEZZACHSA-N 2 2 254.334 -0.183 20 0 CBADLP CNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001135552929 814490562 /nfs/dbraw/zinc/49/05/62/814490562.db2.gz MQUDYEYZXQJNFG-VHSXEESVSA-N 2 2 281.360 -0.429 20 0 CBADLP C[C@H](C[C@H](C)[NH2+]CCOCCO)NC(=O)Cc1c[nH]c[nH+]1 ZINC001135553296 814490905 /nfs/dbraw/zinc/49/09/05/814490905.db2.gz SUCCZUMQXOUWAD-NWDGAFQWSA-N 2 2 298.387 -0.166 20 0 CBADLP C[C@H](C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1)[NH2+]CC(N)=O ZINC001135580028 814496190 /nfs/dbraw/zinc/49/61/90/814496190.db2.gz LRFGEUCKDWWWFD-BDAKNGLRSA-N 2 2 267.333 -0.690 20 0 CBADLP CN(C)C(=O)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001160327338 815616547 /nfs/dbraw/zinc/61/65/47/815616547.db2.gz USEDZXFUZFYIIV-GHMZBOCLSA-N 2 2 293.371 -0.303 20 0 CBADLP CN(C)C(=O)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001160327338 815616551 /nfs/dbraw/zinc/61/65/51/815616551.db2.gz USEDZXFUZFYIIV-GHMZBOCLSA-N 2 2 293.371 -0.303 20 0 CBADLP O=C(NCCC[NH2+]CCOCCO)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001160325997 815616728 /nfs/dbraw/zinc/61/67/28/815616728.db2.gz IMSXZVLGBNCLLK-VXGBXAGGSA-N 2 2 296.371 -0.382 20 0 CBADLP O=C(NCCC[NH2+]CCOCCO)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001160325997 815616731 /nfs/dbraw/zinc/61/67/31/815616731.db2.gz IMSXZVLGBNCLLK-VXGBXAGGSA-N 2 2 296.371 -0.382 20 0 CBADLP C[C@@H]([NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(N)=O ZINC001160325625 815617139 /nfs/dbraw/zinc/61/71/39/815617139.db2.gz BXNWKWRLJVHQKP-OPRDCNLKSA-N 2 2 279.344 -0.517 20 0 CBADLP C[C@@H]([NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(N)=O ZINC001160325625 815617146 /nfs/dbraw/zinc/61/71/46/815617146.db2.gz BXNWKWRLJVHQKP-OPRDCNLKSA-N 2 2 279.344 -0.517 20 0 CBADLP Cc1nc(C)n(CC[NH2+]CCNC(=O)Cc2[nH]cc[nH+]2)n1 ZINC001135754961 814519276 /nfs/dbraw/zinc/51/92/76/814519276.db2.gz JQZGVWBSQLSUTF-UHFFFAOYSA-N 2 2 291.359 -0.433 20 0 CBADLP CC(C)(C)CNC(=O)C[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001135757728 814519551 /nfs/dbraw/zinc/51/95/51/814519551.db2.gz NEHAVZVVLCWMQD-UHFFFAOYSA-N 2 2 295.387 -0.180 20 0 CBADLP CCCC[C@@H]([NH2+]CCNC(=O)Cc1[nH]cc[nH+]1)C(N)=O ZINC001135757700 814519587 /nfs/dbraw/zinc/51/95/87/814519587.db2.gz MHBPFQLJIPOVBC-SNVBAGLBSA-N 2 2 281.360 -0.298 20 0 CBADLP C[C@@H]([NH2+]CCNC(=O)Cc1[nH]cc[nH+]1)C(=O)N(C)C ZINC001135757937 814519733 /nfs/dbraw/zinc/51/97/33/814519733.db2.gz UYICMNCJTKYELG-SECBINFHSA-N 2 2 267.333 -0.865 20 0 CBADLP CN1CCC[C@@H]([NH2+]CCNC(=O)Cc2[nH]cc[nH+]2)C1=O ZINC001135754353 814520373 /nfs/dbraw/zinc/52/03/73/814520373.db2.gz BBYIUBPZEWHJLD-SNVBAGLBSA-N 2 2 279.344 -0.721 20 0 CBADLP CCC(CC)NC(=O)C[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001135766433 814520942 /nfs/dbraw/zinc/52/09/42/814520942.db2.gz UEEDENHFRGOTOL-UHFFFAOYSA-N 2 2 295.387 -0.037 20 0 CBADLP O=C(C[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1)NCC1CCC1 ZINC001135760609 814521019 /nfs/dbraw/zinc/52/10/19/814521019.db2.gz PKJKTCAACKVPRC-UHFFFAOYSA-N 2 2 293.371 -0.426 20 0 CBADLP C[C@@H]([NH2+]CCNC(=O)Cc1[nH]cc[nH+]1)C(=O)NC(C)(C)C ZINC001135765956 814521266 /nfs/dbraw/zinc/52/12/66/814521266.db2.gz CRGCJBBTPRDQGT-SNVBAGLBSA-N 2 2 295.387 -0.039 20 0 CBADLP CC(C)CNC(=O)[C@@H](C)[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001135766137 814521463 /nfs/dbraw/zinc/52/14/63/814521463.db2.gz JOEPQLHJBUBDPC-LLVKDONJSA-N 2 2 295.387 -0.181 20 0 CBADLP CCN(CC)C(=O)[C@H](C)[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001135766387 814521987 /nfs/dbraw/zinc/52/19/87/814521987.db2.gz RLHCSPOFRJSJAN-NSHDSACASA-N 2 2 295.387 -0.085 20 0 CBADLP CNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001135774506 814523932 /nfs/dbraw/zinc/52/39/32/814523932.db2.gz KVHGPKGSEQTTLS-VHSXEESVSA-N 2 2 281.360 -0.429 20 0 CBADLP CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001135799249 814528500 /nfs/dbraw/zinc/52/85/00/814528500.db2.gz UJYLBWRSZDFFLR-QWRGUYRKSA-N 2 2 295.387 -0.039 20 0 CBADLP C[C@H](C[C@@H](C)[NH2+]CCOCCO)NC(=O)Cc1[nH]cc[nH+]1 ZINC001135799058 814529100 /nfs/dbraw/zinc/52/91/00/814529100.db2.gz QUZCREFKODAALC-VXGBXAGGSA-N 2 2 298.387 -0.166 20 0 CBADLP C[C@H](C[C@H](C)[NH2+]CCOCCO)NC(=O)Cc1[nH]cc[nH+]1 ZINC001135799056 814529489 /nfs/dbraw/zinc/52/94/89/814529489.db2.gz QUZCREFKODAALC-NWDGAFQWSA-N 2 2 298.387 -0.166 20 0 CBADLP CNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001136032358 814547751 /nfs/dbraw/zinc/54/77/51/814547751.db2.gz ZSGYCCYIJNRJDJ-NXEZZACHSA-N 2 2 295.387 -0.120 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(N)=O ZINC001136031136 814547824 /nfs/dbraw/zinc/54/78/24/814547824.db2.gz GGIIVWFMCUBNKM-IUCAKERBSA-N 2 2 281.360 -0.381 20 0 CBADLP C[C@H](C[C@H](C)NC(=O)CCc1c[nH+]cn1C)[NH2+]CC(N)=O ZINC001136051900 814550069 /nfs/dbraw/zinc/55/00/69/814550069.db2.gz HNCWOAOEVWZZOE-MNOVXSKESA-N 2 2 295.387 -0.289 20 0 CBADLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2cnc(N)nc2)C1 ZINC001138169897 814601476 /nfs/dbraw/zinc/60/14/76/814601476.db2.gz ZSISDNSDQWDLQF-GFCCVEGCSA-N 2 2 292.387 -0.299 20 0 CBADLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2cnc(N)nc2)C1 ZINC001138169897 814601482 /nfs/dbraw/zinc/60/14/82/814601482.db2.gz ZSISDNSDQWDLQF-GFCCVEGCSA-N 2 2 292.387 -0.299 20 0 CBADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)C[N@H+](C)C(C)C ZINC001142590843 814720883 /nfs/dbraw/zinc/72/08/83/814720883.db2.gz TVPGKCKLQUMWNA-LBPRGKRZSA-N 2 2 296.371 -0.039 20 0 CBADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)C[N@@H+](C)C(C)C ZINC001142590843 814720891 /nfs/dbraw/zinc/72/08/91/814720891.db2.gz TVPGKCKLQUMWNA-LBPRGKRZSA-N 2 2 296.371 -0.039 20 0 CBADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)C[N@H+](C)C(C)C ZINC001142590834 814721192 /nfs/dbraw/zinc/72/11/92/814721192.db2.gz TVPGKCKLQUMWNA-GFCCVEGCSA-N 2 2 296.371 -0.039 20 0 CBADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)C[N@@H+](C)C(C)C ZINC001142590834 814721198 /nfs/dbraw/zinc/72/11/98/814721198.db2.gz TVPGKCKLQUMWNA-GFCCVEGCSA-N 2 2 296.371 -0.039 20 0 CBADLP OC[C@H]1C[NH2+]C[C@H]1Nc1cc(N2CCOCC2)[nH+]cn1 ZINC001159671149 815583689 /nfs/dbraw/zinc/58/36/89/815583689.db2.gz IGBXWASXMQJVML-GHMZBOCLSA-N 2 2 279.344 -0.695 20 0 CBADLP O=C(NCC[NH+]1CC2(COC2)C1)[C@H]1CC2CC[NH+]1CC2 ZINC001142635584 814727107 /nfs/dbraw/zinc/72/71/07/814727107.db2.gz ORBSJRXEKLBEQD-CYBMUJFWSA-N 2 2 279.384 -0.081 20 0 CBADLP COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001143311365 814769297 /nfs/dbraw/zinc/76/92/97/814769297.db2.gz KCTSNCTUKZNECG-GFCCVEGCSA-N 2 2 283.372 -0.356 20 0 CBADLP COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001143311365 814769299 /nfs/dbraw/zinc/76/92/99/814769299.db2.gz KCTSNCTUKZNECG-GFCCVEGCSA-N 2 2 283.372 -0.356 20 0 CBADLP CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001146755256 814846430 /nfs/dbraw/zinc/84/64/30/814846430.db2.gz IIDZJNOIWWYTKH-NWDGAFQWSA-N 2 2 295.387 -0.108 20 0 CBADLP C[C@H](C[C@H](C)[NH2+]CCO)NC(=O)Cn1cc[nH+]c1 ZINC001146770164 814846717 /nfs/dbraw/zinc/84/67/17/814846717.db2.gz GHJSFOTXPFWLLG-WDEREUQCSA-N 2 2 254.334 -0.252 20 0 CBADLP C[C@@H](C[C@H](C)[NH2+]CC(N)=O)NC(=O)Cn1cc[nH+]c1 ZINC001146759452 814846849 /nfs/dbraw/zinc/84/68/49/814846849.db2.gz WIYICKJZUGXCMO-UWVGGRQHSA-N 2 2 267.333 -0.759 20 0 CBADLP O=C(NCC[NH2+]CCCO)c1ccc(-n2cc[nH+]c2)cn1 ZINC001147614604 814903660 /nfs/dbraw/zinc/90/36/60/814903660.db2.gz FLBGQJRJKNWRCP-UHFFFAOYSA-N 2 2 289.339 -0.031 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NCC[NH2+]CCOCC(F)F ZINC001147871631 814921310 /nfs/dbraw/zinc/92/13/10/814921310.db2.gz FVBJSLFCABHBAZ-UHFFFAOYSA-N 2 2 290.314 -0.050 20 0 CBADLP C[NH2+]Cc1ccc(NC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)cc1 ZINC001160444037 815622228 /nfs/dbraw/zinc/62/22/28/815622228.db2.gz UPUSOMBUGDZWHR-JTQLQIEISA-N 2 2 275.316 -0.572 20 0 CBADLP COCCN(C(=O)C1([NH3+])CC[NH2+]CC1)C1CC[NH+](C)CC1 ZINC001160439063 815622743 /nfs/dbraw/zinc/62/27/43/815622743.db2.gz GRFHINYUTNNGCS-UHFFFAOYSA-N 3 2 298.431 -0.364 20 0 CBADLP [NH3+]C1(C(=O)N2CCC3(C2)OCCO3)CC[NH2+]CC1 ZINC001160470565 815624685 /nfs/dbraw/zinc/62/46/85/815624685.db2.gz BGVVPQLGMCALKT-UHFFFAOYSA-N 2 2 255.318 -0.957 20 0 CBADLP COCCN(C(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2)C(C)C ZINC001160462833 815624799 /nfs/dbraw/zinc/62/47/99/815624799.db2.gz AMNNCBBQXDUXDK-DGCLKSJQSA-N 2 2 255.362 -0.179 20 0 CBADLP NC(=O)N1CCN(C(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)CC1 ZINC001160456749 815625012 /nfs/dbraw/zinc/62/50/12/815625012.db2.gz QHHAKFPEVBNMQE-LBPRGKRZSA-N 2 2 291.355 -0.518 20 0 CBADLP COCCN(C(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2)C(C)C ZINC001160462834 815625626 /nfs/dbraw/zinc/62/56/26/815625626.db2.gz AMNNCBBQXDUXDK-WCQYABFASA-N 2 2 255.362 -0.179 20 0 CBADLP COC(=O)CCN(Cc1ccco1)C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001160471144 815626104 /nfs/dbraw/zinc/62/61/04/815626104.db2.gz QCFMMKBBJPBEFG-RYUDHWBXSA-N 2 2 295.339 -0.282 20 0 CBADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC2(C1)OCCO2 ZINC001160471432 815626889 /nfs/dbraw/zinc/62/68/89/815626889.db2.gz XYTCFDDKVQEDEG-JTQLQIEISA-N 2 2 266.301 -0.745 20 0 CBADLP [NH3+]CCNCC(=O)N1CC[NH+](CCc2ccccn2)CC1 ZINC001160482279 815628042 /nfs/dbraw/zinc/62/80/42/815628042.db2.gz DNMAEJIJLNEECX-UHFFFAOYSA-N 2 2 291.399 -0.683 20 0 CBADLP CC1(C)C(=O)NCCN1C(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001160478073 815628478 /nfs/dbraw/zinc/62/84/78/815628478.db2.gz JSPXNAQRPQHLKH-UHFFFAOYSA-N 2 2 268.361 -0.935 20 0 CBADLP [NH3+]CCNCC(=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC001160490601 815628690 /nfs/dbraw/zinc/62/86/90/815628690.db2.gz TUBRWRKNBSKLJE-UHFFFAOYSA-N 2 2 291.399 -0.683 20 0 CBADLP CN(C)C(=O)CN(C)C(=O)[C@@H]1CCC[N@@H+]([C@H]2CC[NH2+]C2)C1 ZINC001160505251 815631758 /nfs/dbraw/zinc/63/17/58/815631758.db2.gz UHZSSAGGXFFOQN-OLZOCXBDSA-N 2 2 296.415 -0.393 20 0 CBADLP CN(C)C(=O)CN(C)C(=O)[C@@H]1CCC[N@H+]([C@H]2CC[NH2+]C2)C1 ZINC001160505251 815631760 /nfs/dbraw/zinc/63/17/60/815631760.db2.gz UHZSSAGGXFFOQN-OLZOCXBDSA-N 2 2 296.415 -0.393 20 0 CBADLP COC(=O)[C@H]1C[C@@H](C(=O)N2CCC([NH3+])CC2)CC[NH2+]1 ZINC001160513274 815632533 /nfs/dbraw/zinc/63/25/33/815632533.db2.gz ARSHTTHJQMLXBF-GXSJLCMTSA-N 2 2 269.345 -0.523 20 0 CBADLP CC[NH+]1CCC(N(C)C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])CC1 ZINC001160538386 815634725 /nfs/dbraw/zinc/63/47/25/815634725.db2.gz WZOVAIZUHQDEOV-RYUDHWBXSA-N 3 2 254.378 -0.524 20 0 CBADLP Cn1ncc2c1CN(C(=O)[C@]13C[NH2+]C[C@H]1CC[NH2+]3)C2 ZINC001160565190 815638801 /nfs/dbraw/zinc/63/88/01/815638801.db2.gz NXGSEHVQWNJNAR-MFKMUULPSA-N 2 2 261.329 -0.786 20 0 CBADLP CCOC(=O)[C@@H]1CCCCN1C(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160580846 815640980 /nfs/dbraw/zinc/64/09/80/815640980.db2.gz CVZIRTYDNDZBQH-XUJVJEKNSA-N 2 2 295.383 -0.118 20 0 CBADLP CCOC(=O)[C@@H]1CCCCN1C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001160580811 815641152 /nfs/dbraw/zinc/64/11/52/815641152.db2.gz BZXPZZZRCHQDSF-VWYCJHECSA-N 2 2 269.345 -0.380 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCC[C@@H](CCO)C1 ZINC001160610331 815644855 /nfs/dbraw/zinc/64/48/55/815644855.db2.gz AIWOZSDJVJAJBK-AAEUAGOBSA-N 2 2 280.372 -0.089 20 0 CBADLP O=C(N1CCN(CCF)CC1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160629582 815646495 /nfs/dbraw/zinc/64/64/95/815646495.db2.gz RIWGZEGWAZPKKQ-WCQYABFASA-N 2 2 270.352 -0.948 20 0 CBADLP O=C(N1CCN(CCF)CC1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160629581 815646685 /nfs/dbraw/zinc/64/66/85/815646685.db2.gz RIWGZEGWAZPKKQ-DGCLKSJQSA-N 2 2 270.352 -0.948 20 0 CBADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H](n2cncn2)C1 ZINC001160637398 815647438 /nfs/dbraw/zinc/64/74/38/815647438.db2.gz MYONOIAPNYDVFO-RYUDHWBXSA-N 2 2 289.343 -0.265 20 0 CBADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC001160647469 815651718 /nfs/dbraw/zinc/65/17/18/815651718.db2.gz KNCFCMWGRNUKBS-IVZWLZJFSA-N 3 2 255.297 -0.823 20 0 CBADLP CO[C@@H]1CCCN(C(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)C1 ZINC001160647213 815651773 /nfs/dbraw/zinc/65/17/73/815651773.db2.gz AYYARYSWALUNAA-NQBHXWOUSA-N 2 2 253.346 -0.425 20 0 CBADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CCC(=O)C(F)(F)C1 ZINC001160663954 815654564 /nfs/dbraw/zinc/65/45/64/815654564.db2.gz KXZYDNUEFOLTOY-XHNCKOQMSA-N 2 2 273.283 -0.627 20 0 CBADLP CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001160680113 815655678 /nfs/dbraw/zinc/65/56/78/815655678.db2.gz LENZLYZYHFMHMR-ZJUUUORDSA-N 2 2 271.361 -0.134 20 0 CBADLP CN(CCC1OCCO1)C(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160683933 815656992 /nfs/dbraw/zinc/65/69/92/815656992.db2.gz OUUIYCBSOBUGTO-GWCFXTLKSA-N 2 2 269.345 -0.841 20 0 CBADLP CN(CC[NH+]1CCCC1)C(=O)[C@@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001160687827 815657364 /nfs/dbraw/zinc/65/73/64/815657364.db2.gz JFWBEUAHRBOTFD-AWEZNQCLSA-N 3 2 297.447 -0.709 20 0 CBADLP CCN(CCn1cccn1)C(=O)C1([NH3+])CC[NH2+]CC1 ZINC001160694161 815658594 /nfs/dbraw/zinc/65/85/94/815658594.db2.gz RRVCTGZVXVADGZ-UHFFFAOYSA-N 2 2 265.361 -0.188 20 0 CBADLP CCN(CCn1cccn1)C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001160694474 815658945 /nfs/dbraw/zinc/65/89/45/815658945.db2.gz VUBYXRMAOLUBPE-MNOVXSKESA-N 2 2 251.334 -0.579 20 0 CBADLP CCN(CCn1cccn1)C(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160694353 815658987 /nfs/dbraw/zinc/65/89/87/815658987.db2.gz VBCWKDZCSOBCID-JSGCOSHPSA-N 2 2 277.372 -0.317 20 0 CBADLP C[N@H+]1C[C@H]2CN(C(=O)C3([NH3+])CC[NH2+]CC3)C[C@H]2C1 ZINC001160705184 815661894 /nfs/dbraw/zinc/66/18/94/815661894.db2.gz UMARGIZRCOOASW-PHIMTYICSA-N 3 2 252.362 -0.913 20 0 CBADLP C[N@@H+]1C[C@H]2CN(C(=O)C3([NH3+])CC[NH2+]CC3)C[C@H]2C1 ZINC001160705184 815661897 /nfs/dbraw/zinc/66/18/97/815661897.db2.gz UMARGIZRCOOASW-PHIMTYICSA-N 3 2 252.362 -0.913 20 0 CBADLP [NH3+]C1(C(=O)N2CCO[C@@H](C(F)(F)F)C2)CC[NH2+]CC1 ZINC001160705825 815662162 /nfs/dbraw/zinc/66/21/62/815662162.db2.gz SMOYXRRJCOPIAA-MRVPVSSYSA-N 2 2 281.278 -0.143 20 0 CBADLP O=C(N1CCO[C@H](C(F)(F)F)C1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160704995 815662476 /nfs/dbraw/zinc/66/24/76/815662476.db2.gz JWHNLTHTEINXDX-QXEWZRGKSA-N 2 2 293.289 -0.272 20 0 CBADLP CCN(CC(C)(C)O)C(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160755390 815667078 /nfs/dbraw/zinc/66/70/78/815667078.db2.gz HIKKMASLCIATIS-GXFFZTMASA-N 2 2 255.362 -0.443 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CCC(n2cccn2)CC1 ZINC001160845708 815677997 /nfs/dbraw/zinc/67/79/97/815677997.db2.gz GDBQYUCLVGYRRS-RYUDHWBXSA-N 2 2 263.345 -0.407 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N(CCO)CC(F)(F)F)C1 ZINC001160909178 815687117 /nfs/dbraw/zinc/68/71/17/815687117.db2.gz PIRSRWFLPUXXLK-RQJHMYQMSA-N 2 2 255.240 -0.941 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCOC[C@H]2c2cccnc2)C1 ZINC001160950740 815690453 /nfs/dbraw/zinc/69/04/53/815690453.db2.gz GWWGMYYKGCZOPG-AGIUHOORSA-N 2 2 276.340 -0.329 20 0 CBADLP C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1)C2 ZINC001160965849 815690988 /nfs/dbraw/zinc/69/09/88/815690988.db2.gz ZCEYFSVDSIJTLY-MPKXVKKWSA-N 3 2 277.372 -0.310 20 0 CBADLP O=C(N1CC(O)([C@@H]2CCCC[NH2+]2)C1)C1(F)C[NH2+]C1 ZINC001160999637 815693309 /nfs/dbraw/zinc/69/33/09/815693309.db2.gz JITPTZIKHHTXAT-VIFPVBQESA-N 2 2 257.309 -0.987 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)CC[NH2+]1 ZINC001161014798 815693849 /nfs/dbraw/zinc/69/38/49/815693849.db2.gz PDYBLQQMHGKOCJ-KOLCDFICSA-N 3 2 251.334 -0.890 20 0 CBADLP CC(=O)[C@@H]1CCN(C(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)C1 ZINC001161034516 815701545 /nfs/dbraw/zinc/70/15/45/815701545.db2.gz KZAGWALJRCLOOU-NTZNESFSSA-N 2 2 251.330 -0.625 20 0 CBADLP CN(C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001161060772 815705987 /nfs/dbraw/zinc/70/59/87/815705987.db2.gz CWZFKWWWWWWIPJ-KSFQGOMNSA-N 3 2 266.389 -0.064 20 0 CBADLP CC(=O)N(C(C)C)C1CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])CC1 ZINC001161051706 815706141 /nfs/dbraw/zinc/70/61/41/815706141.db2.gz YNSJLRXROCTAIC-KBPBESRZSA-N 2 2 296.415 -0.219 20 0 CBADLP CN(C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)C1(C)CC[NH2+]CC1 ZINC001161067153 815707015 /nfs/dbraw/zinc/70/70/15/815707015.db2.gz FYHWADKSAGIVSO-SDDRHHMPSA-N 3 2 266.389 -0.463 20 0 CBADLP C[N@@H+]1CCC[C@H]2CN(C(=O)[C@@]34CC[C@@H]([NH2+]3)[C@H]([NH3+])C4)C[C@@H]21 ZINC001161081017 815709283 /nfs/dbraw/zinc/70/92/83/815709283.db2.gz CEFSPSSNKWBEOE-PFFFPCNUSA-N 3 2 278.400 -0.239 20 0 CBADLP C[N@H+]1CCC[C@H]2CN(C(=O)[C@@]34CC[C@@H]([NH2+]3)[C@H]([NH3+])C4)C[C@@H]21 ZINC001161081017 815709289 /nfs/dbraw/zinc/70/92/89/815709289.db2.gz CEFSPSSNKWBEOE-PFFFPCNUSA-N 3 2 278.400 -0.239 20 0 CBADLP C[N@@H+]1CCC[C@H]2CN(C(=O)[C@@]34CC[C@@H]([NH2+]3)[C@H]([NH3+])C4)C[C@H]21 ZINC001161081014 815709694 /nfs/dbraw/zinc/70/96/94/815709694.db2.gz CEFSPSSNKWBEOE-BGPZULBFSA-N 3 2 278.400 -0.239 20 0 CBADLP C[N@H+]1CCC[C@H]2CN(C(=O)[C@@]34CC[C@@H]([NH2+]3)[C@H]([NH3+])C4)C[C@H]21 ZINC001161081014 815709697 /nfs/dbraw/zinc/70/96/97/815709697.db2.gz CEFSPSSNKWBEOE-BGPZULBFSA-N 3 2 278.400 -0.239 20 0 CBADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)C[C@@H]21 ZINC001161081089 815709919 /nfs/dbraw/zinc/70/99/19/815709919.db2.gz DOKHGLARICGYSR-WYUUTHIRSA-N 3 2 252.362 -0.772 20 0 CBADLP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)C[C@@H]21 ZINC001161081089 815709924 /nfs/dbraw/zinc/70/99/24/815709924.db2.gz DOKHGLARICGYSR-WYUUTHIRSA-N 3 2 252.362 -0.772 20 0 CBADLP CC[C@H](C)[C@@H]([NH3+])CC(=O)N1CC[C@]([NH3+])(C(=O)OC)C1 ZINC001161138111 815718435 /nfs/dbraw/zinc/71/84/35/815718435.db2.gz NHCRTSCFOHXRCW-OUJBWJOFSA-N 2 2 271.361 -0.147 20 0 CBADLP CCN(CCC(=O)OC)C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001161132787 815718729 /nfs/dbraw/zinc/71/87/29/815718729.db2.gz UECCPJISKFISFC-NSHDSACASA-N 2 2 282.344 -0.299 20 0 CBADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)[C@@H]([NH3+])c2ccsc2)C1 ZINC001161137005 815719045 /nfs/dbraw/zinc/71/90/45/815719045.db2.gz AWLBFWZIHGOXNQ-JOYOIKCWSA-N 2 2 283.353 -0.149 20 0 CBADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@@]2(C)CCC[NH2+]2)C1 ZINC001161138075 815719288 /nfs/dbraw/zinc/71/92/88/815719288.db2.gz MMNPSLCBEMCENT-NEPJUHHUSA-N 2 2 255.318 -0.769 20 0 CBADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@@H]([NH3+])COC(C)(C)C)C1 ZINC001161139027 815719792 /nfs/dbraw/zinc/71/97/92/815719792.db2.gz JJEQNOMSMGDXTD-ZANVPECISA-N 2 2 287.360 -0.768 20 0 CBADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)[C@@H]([NH3+])CC(F)F)C1 ZINC001161138442 815719826 /nfs/dbraw/zinc/71/98/26/815719826.db2.gz ALGKLCCNLPVREL-QUBYGPBYSA-N 2 2 265.260 -0.928 20 0 CBADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC001161138149 815720506 /nfs/dbraw/zinc/72/05/06/815720506.db2.gz ODHQIXBAEGKPFR-CABZTGNLSA-N 2 2 255.318 -0.769 20 0 CBADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@]2(C)CC[NH2+]C2)C1 ZINC001161139201 815720523 /nfs/dbraw/zinc/72/05/23/815720523.db2.gz NCFYURPWIDAKTR-NEPJUHHUSA-N 2 2 255.318 -0.911 20 0 CBADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@H]2CCC[NH2+][C@@H]2C)C1 ZINC001161138321 815720600 /nfs/dbraw/zinc/72/06/00/815720600.db2.gz RTAMPNYBOHTIQB-NRUUGDAUSA-N 2 2 269.345 -0.523 20 0 CBADLP COC(=O)[C@]1([NH3+])CCN(C(=O)C[C@H]2CCC[NH2+]C2)C1 ZINC001161138154 815721012 /nfs/dbraw/zinc/72/10/12/815721012.db2.gz ODXLEMHBBVMNFK-MFKMUULPSA-N 2 2 269.345 -0.521 20 0 CBADLP COC(=O)[C@]1([NH3+])CCN(C(=O)C[C@@H]([NH3+])C(C)(C)C)C1 ZINC001161138835 815721101 /nfs/dbraw/zinc/72/11/01/815721101.db2.gz FDVJCAJXBLOUSW-RNCFNFMXSA-N 2 2 271.361 -0.147 20 0 CBADLP CO[C@H](C)C1CN(C(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)C1 ZINC001161146856 815721732 /nfs/dbraw/zinc/72/17/32/815721732.db2.gz SOSVJXBZNXKQQX-SUZMYJTESA-N 2 2 253.346 -0.569 20 0 CBADLP C[C@H](O)C[NH2+]CCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001161215194 815728775 /nfs/dbraw/zinc/72/87/75/815728775.db2.gz MWGKFOWRURJKIZ-NWDGAFQWSA-N 2 2 280.372 -0.078 20 0 CBADLP O=C(N1CCC[C@H](n2ccnn2)C1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001161235663 815732614 /nfs/dbraw/zinc/73/26/14/815732614.db2.gz WACQIURVBXFQTE-OBJOEFQTSA-N 2 2 290.371 -0.607 20 0 CBADLP CC(=O)N[C@@H]1CCCN(C(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)C1 ZINC001161269885 815735805 /nfs/dbraw/zinc/73/58/05/815735805.db2.gz FGSJIFCUZLRRAB-YRGRVCCFSA-N 2 2 280.372 -0.935 20 0 CBADLP NC(=O)C[NH2+]CCCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001161300588 815738006 /nfs/dbraw/zinc/73/80/06/815738006.db2.gz NOWAIDRUDGGRBW-JTQLQIEISA-N 2 2 279.344 -0.973 20 0 CBADLP COc1cc(N2CCN(C(=O)C[C@H](O)C[NH3+])CC2)cc[nH+]1 ZINC001161305939 815738752 /nfs/dbraw/zinc/73/87/52/815738752.db2.gz CZRXDPMSYUFEMA-LBPRGKRZSA-N 2 2 294.355 -0.552 20 0 CBADLP NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001161315038 815739294 /nfs/dbraw/zinc/73/92/94/815739294.db2.gz MWIBGJWCBLLCMA-SNVBAGLBSA-N 2 2 279.344 -0.973 20 0 CBADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCCC[NH2+]CCO)C2 ZINC001161323012 815739575 /nfs/dbraw/zinc/73/95/75/815739575.db2.gz ACHWJFBNWMTKSP-LLVKDONJSA-N 2 2 280.372 -0.089 20 0 CBADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)NCCC[NH2+]CCO)CC2 ZINC001161323012 815739580 /nfs/dbraw/zinc/73/95/80/815739580.db2.gz ACHWJFBNWMTKSP-LLVKDONJSA-N 2 2 280.372 -0.089 20 0 CBADLP CCN(C(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1)[C@H]1CCC[NH2+]C1 ZINC001161329187 815741828 /nfs/dbraw/zinc/74/18/28/815741828.db2.gz WHCTXJHKBMLQBN-NWDGAFQWSA-N 3 2 265.361 -0.120 20 0 CBADLP CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@@H]1CCC[NH2+]C1 ZINC001161330952 815741849 /nfs/dbraw/zinc/74/18/49/815741849.db2.gz RKHPDHRUJQNQFB-NEPJUHHUSA-N 2 2 255.362 -0.083 20 0 CBADLP CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@@H]1CCC[NH2+]C1 ZINC001161330952 815741853 /nfs/dbraw/zinc/74/18/53/815741853.db2.gz RKHPDHRUJQNQFB-NEPJUHHUSA-N 2 2 255.362 -0.083 20 0 CBADLP CC(C)N(C(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1)[C@H]1CC[NH2+]C1 ZINC001161350662 815745716 /nfs/dbraw/zinc/74/57/16/815745716.db2.gz AUCHTDFVHAQJMH-NWDGAFQWSA-N 3 2 265.361 -0.122 20 0 CBADLP COC(=O)[C@]1(C)COCCN1C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001161372579 815747666 /nfs/dbraw/zinc/74/76/66/815747666.db2.gz LCDXUWILXDOXTN-GWCFXTLKSA-N 2 2 296.327 -0.930 20 0 CBADLP [NH3+]C1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CC[NH2+]3)C2)CC1 ZINC001161381356 815748900 /nfs/dbraw/zinc/74/89/00/815748900.db2.gz XWEUYMUZGHRRDQ-NEPJUHHUSA-N 3 2 252.362 -0.628 20 0 CBADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001161412043 815751010 /nfs/dbraw/zinc/75/10/10/815751010.db2.gz FKLXWOSKLZKZHL-JTLRNRKASA-N 3 2 263.345 -0.525 20 0 CBADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001161412042 815752151 /nfs/dbraw/zinc/75/21/51/815752151.db2.gz FKLXWOSKLZKZHL-IXLVHKGHSA-N 3 2 263.345 -0.525 20 0 CBADLP COC(=O)[C@H]1CN(C(=O)C2([NH3+])CC[NH2+]CC2)C[C@@H]1C ZINC001161459322 815757638 /nfs/dbraw/zinc/75/76/38/815757638.db2.gz FSTZGGWKCDYLLN-UWVGGRQHSA-N 2 2 269.345 -0.665 20 0 CBADLP CN1C(=O)CC[C@H]2CN(C(=O)C3([NH3+])CC[NH2+]CC3)CC[C@H]21 ZINC001161482463 815759763 /nfs/dbraw/zinc/75/97/63/815759763.db2.gz HUQHJDZMTHQFMY-NWDGAFQWSA-N 2 2 294.399 -0.463 20 0 CBADLP C[N@H+](C1CN(C(=O)[C@@H]([NH3+])Cc2c[nH]cn2)C1)[C@H]1CCOC1 ZINC001161499001 815763459 /nfs/dbraw/zinc/76/34/59/815763459.db2.gz LUGXTLLFKTYECU-AAEUAGOBSA-N 2 2 293.371 -0.789 20 0 CBADLP C[N@@H+](C1CN(C(=O)[C@@H]([NH3+])Cc2c[nH]cn2)C1)[C@H]1CCOC1 ZINC001161499001 815763463 /nfs/dbraw/zinc/76/34/63/815763463.db2.gz LUGXTLLFKTYECU-AAEUAGOBSA-N 2 2 293.371 -0.789 20 0 CBADLP C[N@H+](C1CN(C(=O)[C@@H]([NH3+])Cc2cnc[nH]2)C1)[C@H]1CCOC1 ZINC001161499001 815763469 /nfs/dbraw/zinc/76/34/69/815763469.db2.gz LUGXTLLFKTYECU-AAEUAGOBSA-N 2 2 293.371 -0.789 20 0 CBADLP C[N@@H+](C1CN(C(=O)[C@@H]([NH3+])Cc2cnc[nH]2)C1)[C@H]1CCOC1 ZINC001161499001 815763472 /nfs/dbraw/zinc/76/34/72/815763472.db2.gz LUGXTLLFKTYECU-AAEUAGOBSA-N 2 2 293.371 -0.789 20 0 CBADLP C[C@H]1CN(C2CN(C(=O)C3([NH3+])CC[NH2+]CC3)C2)C[C@H](C)O1 ZINC001161500471 815763783 /nfs/dbraw/zinc/76/37/83/815763783.db2.gz XTSOLOMWKCFWRA-RYUDHWBXSA-N 2 2 296.415 -0.613 20 0 CBADLP C[C@]1(C(=O)N2C[C@H]([NH3+])C3(COC3)C2)CC(F)(F)C[NH2+]1 ZINC001161510999 815765177 /nfs/dbraw/zinc/76/51/77/815765177.db2.gz UQQZIULLRHYNKS-WCBMZHEXSA-N 2 2 275.299 -0.440 20 0 CBADLP CCOC(=O)[C@H]([NH3+])CNc1cc(C2C[NH2+]C2)ncn1 ZINC001161950142 815795221 /nfs/dbraw/zinc/79/52/21/815795221.db2.gz BIZIBDBOTVQHPA-SECBINFHSA-N 2 2 265.317 -0.534 20 0 CBADLP CCOC(=O)[C@H]([NH3+])CNc1ncc2c(n1)CC[NH2+]C2 ZINC001161945182 815795293 /nfs/dbraw/zinc/79/52/93/815795293.db2.gz GDMLPSPGOZRVGU-SECBINFHSA-N 2 2 265.317 -0.575 20 0 CBADLP C[C@H]([NH2+]CCCNC(=O)CCc1[nH+]ccn1C)C(N)=O ZINC001163044156 815855454 /nfs/dbraw/zinc/85/54/54/815855454.db2.gz MIGXFAQOJLZYIR-JTQLQIEISA-N 2 2 281.360 -0.678 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)NCCC[NH2+]CCO ZINC001163050738 815856017 /nfs/dbraw/zinc/85/60/17/815856017.db2.gz LPJGATHSCZGODP-UHFFFAOYSA-N 2 2 254.334 -0.559 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]CCCNC(=O)CCc1[nH+]ccn1C ZINC001163044305 815856140 /nfs/dbraw/zinc/85/61/40/815856140.db2.gz UBDKWMXCSXSPDI-NSHDSACASA-N 2 2 295.387 -0.417 20 0 CBADLP CN1CCOc2c1cn[nH+]c2N[C@@H]1C[NH2+][C@@H]2COC[C@H]12 ZINC001163141195 815861493 /nfs/dbraw/zinc/86/14/93/815861493.db2.gz UPLSHXIMILGONM-OPRDCNLKSA-N 2 2 277.328 -0.296 20 0 CBADLP O=C1COc2c[nH+]c(NC[C@@]34C[NH2+][C@@H](CO3)C4)cc2N1 ZINC001163191777 815864351 /nfs/dbraw/zinc/86/43/51/815864351.db2.gz TXNZWMODUQEWME-AMIZOPFISA-N 2 2 276.296 -0.045 20 0 CBADLP O=C(CCn1cc[nH+]c1)NCCC[NH2+]CC(=O)N1CCC1 ZINC001163588194 815890806 /nfs/dbraw/zinc/89/08/06/815890806.db2.gz CSMIEGQUFCCOGV-UHFFFAOYSA-N 2 2 293.371 -0.399 20 0 CBADLP Cc1nnc(C[NH2+]CCCNC(=O)CCn2cc[nH+]c2)[nH]1 ZINC001163593977 815891009 /nfs/dbraw/zinc/89/10/09/815891009.db2.gz PIYCGIRHIJWSJM-UHFFFAOYSA-N 2 2 291.359 -0.004 20 0 CBADLP C[C@H]([NH2+]CCCNC(=O)CCn1cc[nH+]c1)C(N)=O ZINC001163593297 815891048 /nfs/dbraw/zinc/89/10/48/815891048.db2.gz GRRUQUCHJNABTP-JTQLQIEISA-N 2 2 267.333 -0.757 20 0 CBADLP Cn1ncc(C[NH2+]CCCNC(=O)CCn2cc[nH+]c2)n1 ZINC001163588065 815891398 /nfs/dbraw/zinc/89/13/98/815891398.db2.gz AHLXAGVHBIXTAB-UHFFFAOYSA-N 2 2 291.359 -0.302 20 0 CBADLP CN(CC[NH+](C)C)c1cc(N2CCC[C@@H]2C(N)=O)[nH+]cn1 ZINC001163591234 815891499 /nfs/dbraw/zinc/89/14/99/815891499.db2.gz XHAKDMXEPKQDGW-LLVKDONJSA-N 2 2 292.387 -0.072 20 0 CBADLP CN1CCN(c2ccc(N3CC[NH2+]CC3)c[nH+]2)CC1=O ZINC001163632571 815892548 /nfs/dbraw/zinc/89/25/48/815892548.db2.gz SBFIYYMNQJNMEL-UHFFFAOYSA-N 2 2 275.356 -0.230 20 0 CBADLP C[N@@H+]1CC[C@@H](CC(=O)NCCNC(=O)Cn2cc[nH+]c2)C1 ZINC001292936963 816491034 /nfs/dbraw/zinc/49/10/34/816491034.db2.gz WEYBMHYHNFWMDV-LBPRGKRZSA-N 2 2 293.371 -0.543 20 0 CBADLP C[N@H+]1CC[C@@H](CC(=O)NCCNC(=O)Cn2cc[nH+]c2)C1 ZINC001292936963 816491035 /nfs/dbraw/zinc/49/10/35/816491035.db2.gz WEYBMHYHNFWMDV-LBPRGKRZSA-N 2 2 293.371 -0.543 20 0 CBADLP C[N@@H+]1CC[C@H](CC(=O)NCCNC(=O)Cn2cc[nH+]c2)C1 ZINC001292936962 816492077 /nfs/dbraw/zinc/49/20/77/816492077.db2.gz WEYBMHYHNFWMDV-GFCCVEGCSA-N 2 2 293.371 -0.543 20 0 CBADLP C[N@H+]1CC[C@H](CC(=O)NCCNC(=O)Cn2cc[nH+]c2)C1 ZINC001292936962 816492084 /nfs/dbraw/zinc/49/20/84/816492084.db2.gz WEYBMHYHNFWMDV-GFCCVEGCSA-N 2 2 293.371 -0.543 20 0 CBADLP O=C(CCn1cc[nH+]c1)NC[C@H]1C[C@@H]([NH2+]CCO)C1 ZINC001316619758 816872137 /nfs/dbraw/zinc/87/21/37/816872137.db2.gz PCCQMOZUSXZNHE-TXEJJXNPSA-N 2 2 266.345 -0.250 20 0 CBADLP O=C(CCn1cc[nH+]c1)N1CC[C@@H](C[NH2+]CCO)C1 ZINC001317332564 816966220 /nfs/dbraw/zinc/96/62/20/816966220.db2.gz XVXNGLQTZHJKCY-LBPRGKRZSA-N 2 2 266.345 -0.296 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H](C[NH2+]CCOCCO)C1 ZINC001317336924 816966333 /nfs/dbraw/zinc/96/63/33/816966333.db2.gz LZMNJCSJEFUJKL-LBPRGKRZSA-N 2 2 296.371 -0.601 20 0 CBADLP CN(CC[NH2+]CC(N)=O)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001317600557 817028165 /nfs/dbraw/zinc/02/81/65/817028165.db2.gz NIXJFKHRRDMHDX-UHFFFAOYSA-N 2 2 275.312 -0.290 20 0 CBADLP CN(CC[NH2+]CCO)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001317606469 817028200 /nfs/dbraw/zinc/02/82/00/817028200.db2.gz PGQVXCMCEMPREO-NSHDSACASA-N 2 2 266.345 -0.514 20 0 CBADLP CC[N@H+](C)CCC(=O)N(C)CC[NH2+]Cc1cnon1 ZINC001317650822 817039215 /nfs/dbraw/zinc/03/92/15/817039215.db2.gz UGDUUPQFCGSRKH-UHFFFAOYSA-N 2 2 269.349 -0.041 20 0 CBADLP CC[N@@H+](C)CCC(=O)N(C)CC[NH2+]Cc1cnon1 ZINC001317650822 817039222 /nfs/dbraw/zinc/03/92/22/817039222.db2.gz UGDUUPQFCGSRKH-UHFFFAOYSA-N 2 2 269.349 -0.041 20 0 CBADLP CN(C)C(=O)C[NH2+]CCN(C)C(=O)Cc1c[nH+]cn1C ZINC001317656403 817040790 /nfs/dbraw/zinc/04/07/90/817040790.db2.gz YXZQKLWSWCTSNH-UHFFFAOYSA-N 2 2 281.360 -0.901 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)N(C)CC[NH2+]Cc2ccon2)C1 ZINC001317664906 817042580 /nfs/dbraw/zinc/04/25/80/817042580.db2.gz OSAGYIRSGDCMSU-ZDUSSCGKSA-N 2 2 296.371 -0.057 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)N(C)CC[NH2+]Cc2ccon2)C1 ZINC001317664906 817042585 /nfs/dbraw/zinc/04/25/85/817042585.db2.gz OSAGYIRSGDCMSU-ZDUSSCGKSA-N 2 2 296.371 -0.057 20 0 CBADLP CC(C)[C@H](C(=O)NC1C[NH+](CCCO)C1)[NH+](C)C ZINC001318079827 817072687 /nfs/dbraw/zinc/07/26/87/817072687.db2.gz MGTHXHJEFTZIKO-GFCCVEGCSA-N 2 2 257.378 -0.245 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C3(C(N)=O)CC3)C2)CC1 ZINC001318438452 817109403 /nfs/dbraw/zinc/10/94/03/817109403.db2.gz BYKNFEYTXAWYDV-LLVKDONJSA-N 2 2 294.399 -0.463 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C3(C(N)=O)CC3)C2)CC1 ZINC001318438452 817109407 /nfs/dbraw/zinc/10/94/07/817109407.db2.gz BYKNFEYTXAWYDV-LLVKDONJSA-N 2 2 294.399 -0.463 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NC3CC3)C2)CC1 ZINC001318628583 817129184 /nfs/dbraw/zinc/12/91/84/817129184.db2.gz BELIVVPKEPJXOA-GFCCVEGCSA-N 2 2 294.399 -0.450 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NC3CC3)C2)CC1 ZINC001318628583 817129189 /nfs/dbraw/zinc/12/91/89/817129189.db2.gz BELIVVPKEPJXOA-GFCCVEGCSA-N 2 2 294.399 -0.450 20 0 CBADLP C[C@H](O)C[NH2+]C[C@@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001319270878 817183635 /nfs/dbraw/zinc/18/36/35/817183635.db2.gz SYJOWPWRTSBXBL-MNOVXSKESA-N 2 2 268.361 -0.315 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)C[NH2+]C[C@@H](C)O ZINC001319272129 817185353 /nfs/dbraw/zinc/18/53/53/817185353.db2.gz QFRCUSKPNPUERM-NXEZZACHSA-N 2 2 268.361 -0.017 20 0 CBADLP C[C@H](CC[NH2+]CCO)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001320467763 817340836 /nfs/dbraw/zinc/34/08/36/817340836.db2.gz DZZRBAKBXLGKDY-NEPJUHHUSA-N 2 2 280.372 -0.078 20 0 CBADLP C[C@H](CC[NH2+]Cc1cnnn1C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001320563333 817355089 /nfs/dbraw/zinc/35/50/89/817355089.db2.gz OMCGRVXFEFUBHT-SNVBAGLBSA-N 2 2 291.359 -0.235 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]C/C=C/CNC(=O)Cc1[nH]c[nH+]c1C ZINC001321363961 817489816 /nfs/dbraw/zinc/48/98/16/817489816.db2.gz TVFZNRZZLZFAEZ-SGUJLRQBSA-N 2 2 293.371 -0.343 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]C/C=C/CNC(=O)Cc1[nH]c[nH+]c1C ZINC001321363965 817490169 /nfs/dbraw/zinc/49/01/69/817490169.db2.gz TVFZNRZZLZFAEZ-ZWNMCFTASA-N 2 2 293.371 -0.343 20 0 CBADLP C[C@H]([NH2+]C/C=C/CNC(=O)CCc1c[nH+]cn1C)C(N)=O ZINC001321370735 817491189 /nfs/dbraw/zinc/49/11/89/817491189.db2.gz FUOJQTTXIXTDRY-UFFNRZRYSA-N 2 2 293.371 -0.512 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NC/C=C\C[NH2+]Cc1cnn(C)n1 ZINC001321422206 817498411 /nfs/dbraw/zinc/49/84/11/817498411.db2.gz ZTDXQWYLNUAAAV-WAYWQWQTSA-N 2 2 294.403 -0.083 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NC/C=C\C[NH2+]Cc1cnn(C)n1 ZINC001321422206 817498419 /nfs/dbraw/zinc/49/84/19/817498419.db2.gz ZTDXQWYLNUAAAV-WAYWQWQTSA-N 2 2 294.403 -0.083 20 0 CBADLP C[NH+](C)C1CN(c2cc(N3CCC[C@H]3C(N)=O)[nH+]cn2)C1 ZINC001163942760 819872059 /nfs/dbraw/zinc/87/20/59/819872059.db2.gz NWYYVIFGIVYUII-NSHDSACASA-N 2 2 290.371 -0.319 20 0 CBADLP COC(=O)[C@@H]1C[C@H](Nc2ccc(OC3C[NH2+]C3)cn2)C[NH2+]1 ZINC001164312904 819908713 /nfs/dbraw/zinc/90/87/13/819908713.db2.gz YDGREDUMZXAUKD-CABZTGNLSA-N 2 2 292.339 -0.252 20 0 CBADLP O[C@H]1COCCN(c2ccc(N3CC[NH2+]CC3)c[nH+]2)C1 ZINC001164511916 819918327 /nfs/dbraw/zinc/91/83/27/819918327.db2.gz PEQROZKCWUHDOJ-CYBMUJFWSA-N 2 2 278.356 -0.311 20 0 CBADLP C[NH+]1CCN(c2cccc(N3C[C@@H](O)[C@H](CO)C3)[nH+]2)CC1 ZINC001164544996 819925795 /nfs/dbraw/zinc/92/57/95/819925795.db2.gz OBIQHZLCGXMENC-QWHCGFSZSA-N 2 2 292.383 -0.377 20 0 CBADLP OC[C@H]1CN(c2ccc(N3CC[NH2+]CC3)c[nH+]2)C[C@H]1O ZINC001164546243 819926831 /nfs/dbraw/zinc/92/68/31/819926831.db2.gz ZIRWUKUWOAIFPE-DGCLKSJQSA-N 2 2 278.356 -0.719 20 0 CBADLP Cc1nc(N2CCNC(=O)C23C[NH2+]C3)c(C)c(C)[nH+]1 ZINC001165301085 819952928 /nfs/dbraw/zinc/95/29/28/819952928.db2.gz QLOZMJDRKFUVPL-UHFFFAOYSA-N 2 2 261.329 -0.320 20 0 CBADLP [NH3+][C@]12C[C@H]1CN(c1cc(N3CCOCC3)[nH+]cn1)C2 ZINC001165316078 819955600 /nfs/dbraw/zinc/95/56/00/819955600.db2.gz ZDAQSHNSTJSVBR-GWCFXTLKSA-N 2 2 261.329 -0.149 20 0 CBADLP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCC[NH2+]Cc1nnn(C)n1 ZINC001166709206 820017907 /nfs/dbraw/zinc/01/79/07/820017907.db2.gz YIMMVJKSEXULQU-WDEREUQCSA-N 2 2 295.391 -0.996 20 0 CBADLP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCC[NH2+]Cc1nnn(C)n1 ZINC001166709206 820017918 /nfs/dbraw/zinc/01/79/18/820017918.db2.gz YIMMVJKSEXULQU-WDEREUQCSA-N 2 2 295.391 -0.996 20 0 CBADLP [NH3+][C@@H]1CN(c2cc(N3CCOCC3)[nH+]cn2)C[C@@H]1F ZINC001166927999 820046484 /nfs/dbraw/zinc/04/64/84/820046484.db2.gz NIWNOYHKFPEFQX-VHSXEESVSA-N 2 2 267.308 -0.201 20 0 CBADLP [NH3+]C[C@H]1CN(c2cc(N3CCOCC3)[nH+]cn2)CCO1 ZINC001166937648 820048819 /nfs/dbraw/zinc/04/88/19/820048819.db2.gz GGYKYBSFVLGPQQ-NSHDSACASA-N 2 2 279.344 -0.523 20 0 CBADLP [NH3+]C[C@H]1CN(c2cc(N3CCOCC3)nc[nH+]2)CCO1 ZINC001166937648 820048823 /nfs/dbraw/zinc/04/88/23/820048823.db2.gz GGYKYBSFVLGPQQ-NSHDSACASA-N 2 2 279.344 -0.523 20 0 CBADLP [NH3+][C@H]1CN(c2cc(N3CCCCC3)[nH+]cn2)C[C@H]1O ZINC001167093369 820072197 /nfs/dbraw/zinc/07/21/97/820072197.db2.gz USBVLFMJHPREED-WDEREUQCSA-N 2 2 263.345 -0.025 20 0 CBADLP NC(=O)C[NH2+]CC1(CCNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001167334885 820080156 /nfs/dbraw/zinc/08/01/56/820080156.db2.gz ZSBQHZCJDFXEFX-UHFFFAOYSA-N 2 2 279.344 -0.686 20 0 CBADLP C[C@@H]([NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1)C(=O)NC1CC1 ZINC001167349540 820084327 /nfs/dbraw/zinc/08/43/27/820084327.db2.gz ADFWZXIESCEHIN-SNVBAGLBSA-N 2 2 293.371 -0.285 20 0 CBADLP CCN(C)C(=O)C[NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001167353155 820084430 /nfs/dbraw/zinc/08/44/30/820084430.db2.gz SXSCMJHTLURPIW-UHFFFAOYSA-N 2 2 281.360 -0.474 20 0 CBADLP CN1CCC[C@@H]([NH2+]CCCNC(=O)Cc2c[nH]c[nH+]2)C1=O ZINC001167355344 820085958 /nfs/dbraw/zinc/08/59/58/820085958.db2.gz CKYWQXYPSKGJRA-GFCCVEGCSA-N 2 2 293.371 -0.331 20 0 CBADLP CC(C)N(C)C(=O)C[NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001167355554 820086451 /nfs/dbraw/zinc/08/64/51/820086451.db2.gz PDYVCRZKSIQNPA-UHFFFAOYSA-N 2 2 295.387 -0.085 20 0 CBADLP CN1CCC[C@H]([NH2+]CCCNC(=O)Cc2c[nH]c[nH+]2)C1=O ZINC001167355345 820087181 /nfs/dbraw/zinc/08/71/81/820087181.db2.gz CKYWQXYPSKGJRA-LBPRGKRZSA-N 2 2 293.371 -0.331 20 0 CBADLP CNC(=O)C[NH2+]CCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001167429433 820089010 /nfs/dbraw/zinc/08/90/10/820089010.db2.gz SPPQCOIJRZTIDG-LLVKDONJSA-N 2 2 281.360 -0.324 20 0 CBADLP C[C@H]([NH2+]CC1(CCNC(=O)Cc2[nH]cc[nH+]2)CC1)C(N)=O ZINC001167528763 820099987 /nfs/dbraw/zinc/09/99/87/820099987.db2.gz JGIVHNKBWCVXJG-JTQLQIEISA-N 2 2 293.371 -0.298 20 0 CBADLP O=C1CC[C@H](Nc2[nH+]cccc2N2CC[NH2+]CC2)C(=O)N1 ZINC001167559345 820102769 /nfs/dbraw/zinc/10/27/69/820102769.db2.gz BANOJPWSVRDXTD-JTQLQIEISA-N 2 2 289.339 -0.292 20 0 CBADLP CNC(=O)C[NH2+]CCCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001167978185 820137374 /nfs/dbraw/zinc/13/73/74/820137374.db2.gz KPXYTCIYRJRYJI-JTQLQIEISA-N 2 2 281.360 -0.570 20 0 CBADLP CNC(=O)C[NH2+]CCCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001167978185 820137379 /nfs/dbraw/zinc/13/73/79/820137379.db2.gz KPXYTCIYRJRYJI-JTQLQIEISA-N 2 2 281.360 -0.570 20 0 CBADLP C[NH+]1CCN(c2ncc(-n3cnc(C[NH3+])n3)cn2)CC1 ZINC001168753872 820175009 /nfs/dbraw/zinc/17/50/09/820175009.db2.gz IIOGRTZNVGZQNX-UHFFFAOYSA-N 2 2 274.332 -0.732 20 0 CBADLP [NH3+]Cc1nc(=O)[nH]n1-c1ncc(F)c(C2CC[NH2+]CC2)n1 ZINC001168755874 820176898 /nfs/dbraw/zinc/17/68/98/820176898.db2.gz LETZJKYPAPUKLW-UHFFFAOYSA-N 2 2 293.306 -0.172 20 0 CBADLP C[NH+]1CCN(c2ccc(-n3cnc(C[NH3+])n3)nc2)CC1 ZINC001168755986 820177340 /nfs/dbraw/zinc/17/73/40/820177340.db2.gz JCOOZCLLKCJMIX-UHFFFAOYSA-N 2 2 273.344 -0.127 20 0 CBADLP [NH3+]Cc1nc(=O)[nH]n1-c1cc[nH+]c(N2CCOCC2)c1 ZINC001168761071 820179364 /nfs/dbraw/zinc/17/93/64/820179364.db2.gz XXGUXBUSKVUYRB-UHFFFAOYSA-N 2 2 276.300 -0.337 20 0 CBADLP COC(=O)Cc1ccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nc1 ZINC001169071182 820203572 /nfs/dbraw/zinc/20/35/72/820203572.db2.gz GMVXGFPAKPLFHZ-LLVKDONJSA-N 2 2 290.323 -0.155 20 0 CBADLP COc1ncnc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c1OC ZINC001169071164 820204119 /nfs/dbraw/zinc/20/41/19/820204119.db2.gz FZEZDBVHJIGPQT-MRVPVSSYSA-N 2 2 279.300 -0.458 20 0 CBADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ncnc2c1COC2 ZINC001169071960 820204726 /nfs/dbraw/zinc/20/47/26/820204726.db2.gz JDXGEYVZPXSTEP-MRVPVSSYSA-N 2 2 261.285 -0.445 20 0 CBADLP C[S@](=O)c1ccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nc1 ZINC001169074256 820204969 /nfs/dbraw/zinc/20/49/69/820204969.db2.gz HTVLFTMVSPVDRT-HOGDKLEQSA-N 2 2 280.353 -0.133 20 0 CBADLP CNC(=O)c1cc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)cnc1F ZINC001169075474 820205211 /nfs/dbraw/zinc/20/52/11/820205211.db2.gz HLDLGMSPSCZEPJ-MRVPVSSYSA-N 2 2 293.302 -0.372 20 0 CBADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cccnc1OC1C[NH2+]C1 ZINC001169074804 820205406 /nfs/dbraw/zinc/20/54/06/820205406.db2.gz OPDGPDQXIMIPFE-SNVBAGLBSA-N 3 2 289.339 -0.520 20 0 CBADLP Cn1c(=O)cnc2ccc(-n3c[nH+]cc3C[C@@H]([NH3+])CO)cc21 ZINC001169073186 820205426 /nfs/dbraw/zinc/20/54/26/820205426.db2.gz BXVLOHKUINGGSL-SNVBAGLBSA-N 2 2 299.334 -0.019 20 0 CBADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cnc(N2CCC2)nc1 ZINC001169073175 820205447 /nfs/dbraw/zinc/20/54/47/820205447.db2.gz BNWZUKLGGMRWSW-SNVBAGLBSA-N 2 2 274.328 -0.266 20 0 CBADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cnc2c(c1)C[NH2+]CC2 ZINC001169074583 820205482 /nfs/dbraw/zinc/20/54/82/820205482.db2.gz SNASWBZLOFKMGB-LLVKDONJSA-N 3 2 273.340 -0.225 20 0 CBADLP COC(=O)c1nccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001169074899 820205709 /nfs/dbraw/zinc/20/57/09/820205709.db2.gz ARXDCVYAERDWFZ-MRVPVSSYSA-N 2 2 277.284 -0.689 20 0 CBADLP CCOC(=O)c1ncncc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169075896 820206749 /nfs/dbraw/zinc/20/67/49/820206749.db2.gz ZIQVGWFIPGMPHK-SECBINFHSA-N 2 2 291.311 -0.299 20 0 CBADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccc2ncnn2c1F ZINC001169076414 820207012 /nfs/dbraw/zinc/20/70/12/820207012.db2.gz SEZSHLZGRMRHMK-MRVPVSSYSA-N 2 2 276.275 -0.084 20 0 CBADLP C[C@H](NC(=O)[C@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(N)=O ZINC001169124649 820210425 /nfs/dbraw/zinc/21/04/25/820210425.db2.gz RRDICWGXWBWODO-UHFZAUJKSA-N 2 2 282.388 -0.420 20 0 CBADLP C[C@H](NC(=O)[C@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(N)=O ZINC001169124649 820210432 /nfs/dbraw/zinc/21/04/32/820210432.db2.gz RRDICWGXWBWODO-UHFZAUJKSA-N 2 2 282.388 -0.420 20 0 CBADLP CCn1nncc1C[NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001169203941 820213824 /nfs/dbraw/zinc/21/38/24/820213824.db2.gz FLMWFFMTZPRJCB-UHFFFAOYSA-N 2 2 291.359 -0.140 20 0 CBADLP C[C@H]([NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1)C(=O)NC1CC1 ZINC001169228574 820214103 /nfs/dbraw/zinc/21/41/03/820214103.db2.gz LFRHBHBAAZEDQZ-JTQLQIEISA-N 2 2 293.371 -0.285 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NCCC[NH2+][C@H]1CCCNC1=O ZINC001169205253 820214802 /nfs/dbraw/zinc/21/48/02/820214802.db2.gz WFCKIZKBXBCILF-JTQLQIEISA-N 2 2 279.344 -0.673 20 0 CBADLP COCCOCC[NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001169204066 820214825 /nfs/dbraw/zinc/21/48/25/820214825.db2.gz GREIJFAFUUBJEL-UHFFFAOYSA-N 2 2 284.360 -0.289 20 0 CBADLP CCN1CC[C@@H]([NH2+]CCCNC(=O)Cc2[nH]cc[nH+]2)C1=O ZINC001169212566 820215200 /nfs/dbraw/zinc/21/52/00/820215200.db2.gz VRNMUDSSGBXDNY-LLVKDONJSA-N 2 2 293.371 -0.331 20 0 CBADLP CCOC(=O)[C@H]1CC[C@H]([NH2+][C@@H]2COC[C@H]2[NH3+])CO1 ZINC001169321713 820230113 /nfs/dbraw/zinc/23/01/13/820230113.db2.gz MXGYPUBOZWZPDP-LNFKQOIKSA-N 2 2 258.318 -0.587 20 0 CBADLP CC(=O)N1CC[C@@H]([NH2+][C@@]2(C[NH3+])CN3CCC2CC3)C1 ZINC001169514121 820251425 /nfs/dbraw/zinc/25/14/25/820251425.db2.gz QOZDZGRCPJMPJG-KGLIPLIRSA-N 2 2 266.389 -0.380 20 0 CBADLP CC(=O)N1CC[C@@H]([NH+]2CC(N3CC[NH+](C)CC3)C2)C1 ZINC001169562859 820256138 /nfs/dbraw/zinc/25/61/38/820256138.db2.gz IQRCAVJEUFTOCP-CYBMUJFWSA-N 2 2 266.389 -0.461 20 0 CBADLP CC(=O)N1CCC[C@H]([NH+]2CC(N3CC[NH+](C)CC3)C2)C1 ZINC001169632192 820262282 /nfs/dbraw/zinc/26/22/82/820262282.db2.gz YROPUUGFKHPZSI-AWEZNQCLSA-N 2 2 280.416 -0.071 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNc1cnc(O[C@H]2CC[NH2+]C2)nc1 ZINC001169654782 820263607 /nfs/dbraw/zinc/26/36/07/820263607.db2.gz WDJVUJFQRAZRQL-STQMWFEESA-N 2 2 293.371 -0.040 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNc1cnc(O[C@H]2CC[NH2+]C2)nc1 ZINC001169654782 820263613 /nfs/dbraw/zinc/26/36/13/820263613.db2.gz WDJVUJFQRAZRQL-STQMWFEESA-N 2 2 293.371 -0.040 20 0 CBADLP CN1CCOc2c1cn[nH+]c2N[C@@H]1C[NH2+]C[C@H]1CO ZINC001170775500 820320051 /nfs/dbraw/zinc/32/00/51/820320051.db2.gz NBKMLOIRUFDCIL-DTWKUNHWSA-N 2 2 265.317 -0.703 20 0 CBADLP CN1CCOc2c1cn[nH+]c2N[C@@H]([NH3+])CCC[NH3+] ZINC001170895986 820333493 /nfs/dbraw/zinc/33/34/93/820333493.db2.gz BJPVFQLLTVIAAM-SECBINFHSA-N 3 2 252.322 -0.259 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NCCC[NH2+]CCn1cncn1 ZINC001171243498 820352680 /nfs/dbraw/zinc/35/26/80/820352680.db2.gz BQGHKCXNIBDXDJ-UHFFFAOYSA-N 2 2 291.359 -0.650 20 0 CBADLP CCN(C)C(=O)C[NH2+]CCCNC(=O)Cc1c[nH+]cn1C ZINC001171236759 820353748 /nfs/dbraw/zinc/35/37/48/820353748.db2.gz BBOYAAPJJYIWQA-UHFFFAOYSA-N 2 2 295.387 -0.463 20 0 CBADLP CC[C@H]([NH2+]CCCNC(=O)Cc1c[nH+]cn1C)C(N)=O ZINC001171244499 820353946 /nfs/dbraw/zinc/35/39/46/820353946.db2.gz PAFQJTHCVMLXQV-NSHDSACASA-N 2 2 281.360 -0.678 20 0 CBADLP COC[C@@H](O)C[NH2+]CCCNC(=O)Cc1c[nH+]cn1C ZINC001171238976 820354256 /nfs/dbraw/zinc/35/42/56/820354256.db2.gz VRZTUSKDVLEEPN-LBPRGKRZSA-N 2 2 284.360 -0.934 20 0 CBADLP Cn1cc(C[NH2+]CCCNC(=O)Cc2c[nH+]cn2C)nn1 ZINC001171238929 820354819 /nfs/dbraw/zinc/35/48/19/820354819.db2.gz SWJZSHBTTFTGBD-UHFFFAOYSA-N 2 2 291.359 -0.613 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NCCC[NH2+]CCCO ZINC001171243508 820355649 /nfs/dbraw/zinc/35/56/49/820355649.db2.gz CEXNJIUELOKYNK-UHFFFAOYSA-N 2 2 254.334 -0.559 20 0 CBADLP C[NH+]1CCN(C(=[NH2+])N[C@H]2CCN(C3CC3)C(=O)C2)CC1 ZINC001172001516 820373923 /nfs/dbraw/zinc/37/39/23/820373923.db2.gz FETJDOMLQMUVBE-NSHDSACASA-N 2 2 279.388 -0.088 20 0 CBADLP CCN1CC[C@H]([NH2+][C@H](CCC[NH3+])C(=O)OC)CC1=O ZINC001172028556 820377984 /nfs/dbraw/zinc/37/79/84/820377984.db2.gz JULWYIMYNUMMOB-WDEREUQCSA-N 2 2 271.361 -0.133 20 0 CBADLP [NH3+][C@@H]1COC[C@H]1[NH2+][C@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173731641 820408887 /nfs/dbraw/zinc/40/88/87/820408887.db2.gz AWFHCIQKUPNPOF-LNFKQOIKSA-N 2 2 252.322 -0.528 20 0 CBADLP [NH3+]CC1([NH2+][C@@H]2CCC[C@H](n3ncnn3)C2)COC1 ZINC001173742669 820409800 /nfs/dbraw/zinc/40/98/00/820409800.db2.gz ONDZPIQENVASCF-ZJUUUORDSA-N 2 2 252.322 -0.526 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCCC[NH2+]C[C@H](C)O ZINC001174683953 820415375 /nfs/dbraw/zinc/41/53/75/820415375.db2.gz XDPRXFFSNHMFEA-VIFPVBQESA-N 2 2 254.334 -0.263 20 0 CBADLP COC[C@H](O)C[NH2+]CCCNC(=O)CCc1c[nH+]cn1C ZINC001175002038 820420660 /nfs/dbraw/zinc/42/06/60/820420660.db2.gz BLFJAXQRCRKUHR-CYBMUJFWSA-N 2 2 298.387 -0.544 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]Cc2cnon2)C1 ZINC001176627647 820453705 /nfs/dbraw/zinc/45/37/05/820453705.db2.gz LUKBRODWHXRFNI-LBPRGKRZSA-N 2 2 297.359 -0.614 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]Cc2cnon2)C1 ZINC001176627647 820453709 /nfs/dbraw/zinc/45/37/09/820453709.db2.gz LUKBRODWHXRFNI-LBPRGKRZSA-N 2 2 297.359 -0.614 20 0 CBADLP C[NH+]1CCC(CO)(NC(=O)CCn2cc[nH+]c2)CC1 ZINC001176883009 820475529 /nfs/dbraw/zinc/47/55/29/820475529.db2.gz BCKYVOIUFRCKAP-UHFFFAOYSA-N 2 2 266.345 -0.154 20 0 CBADLP CCn1nncc1C[NH2+]CCCNC(=O)Cn1cc[nH+]c1 ZINC001177400626 820510841 /nfs/dbraw/zinc/51/08/41/820510841.db2.gz JKFXISYEOCDMTC-UHFFFAOYSA-N 2 2 291.359 -0.209 20 0 CBADLP O=C(C[NH2+]CCCNC(=O)Cn1cc[nH+]c1)NCC1CC1 ZINC001177401650 820511210 /nfs/dbraw/zinc/51/12/10/820511210.db2.gz XIMRETLQAJOUBX-UHFFFAOYSA-N 2 2 293.371 -0.495 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)Cn1cc[nH+]c1 ZINC001177404495 820511352 /nfs/dbraw/zinc/51/13/52/820511352.db2.gz BJSJZBUUIMVCLL-SNVBAGLBSA-N 2 2 267.333 -0.887 20 0 CBADLP Cc1nonc1C[NH2+]CCCNC(=O)Cn1cc[nH+]c1 ZINC001177400964 820511587 /nfs/dbraw/zinc/51/15/87/820511587.db2.gz OTSQRRBUXZFYND-UHFFFAOYSA-N 2 2 278.316 -0.129 20 0 CBADLP O=C(Cn1cc[nH+]c1)NCCC[NH2+]CCn1cccn1 ZINC001177405105 820511599 /nfs/dbraw/zinc/51/15/99/820511599.db2.gz KODLTQYDWUAZMQ-UHFFFAOYSA-N 2 2 276.344 -0.124 20 0 CBADLP CCNC(=O)C[NH2+]CCCNC(=O)Cn1cc[nH+]c1 ZINC001177400728 820511625 /nfs/dbraw/zinc/51/16/25/820511625.db2.gz KSCLHNNSQQEUBN-UHFFFAOYSA-N 2 2 267.333 -0.885 20 0 CBADLP CN1CCC[C@H]([NH2+]CCCNC(=O)Cn2cc[nH+]c2)C1=O ZINC001177404780 820511720 /nfs/dbraw/zinc/51/17/20/820511720.db2.gz GWZKTXFSFPJRIJ-LBPRGKRZSA-N 2 2 293.371 -0.400 20 0 CBADLP CCN(C)C(=O)C[NH2+]CCCNC(=O)Cn1cc[nH+]c1 ZINC001177411420 820513630 /nfs/dbraw/zinc/51/36/30/820513630.db2.gz VFKKIXSHDBPNRM-UHFFFAOYSA-N 2 2 281.360 -0.543 20 0 CBADLP CCOC(=O)CN(CC[NH3+])C(=O)CN(C)c1cccc[nH+]1 ZINC001177417332 820514827 /nfs/dbraw/zinc/51/48/27/820514827.db2.gz OZJSPZRYJHPQCT-UHFFFAOYSA-N 2 2 294.355 -0.132 20 0 CBADLP CS(=O)(=O)N(CC[NH3+])C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001178100757 820564043 /nfs/dbraw/zinc/56/40/43/820564043.db2.gz DTSDPPJTNOTUMG-VIFPVBQESA-N 2 2 286.357 -0.808 20 0 CBADLP COCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)[C@H]1C ZINC001178414862 820581233 /nfs/dbraw/zinc/58/12/33/820581233.db2.gz SDGXMWFEZJPNLN-AVGNSLFASA-N 2 2 285.388 -0.458 20 0 CBADLP COCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H]1C ZINC001178414862 820581240 /nfs/dbraw/zinc/58/12/40/820581240.db2.gz SDGXMWFEZJPNLN-AVGNSLFASA-N 2 2 285.388 -0.458 20 0 CBADLP Cc1[nH+]ccn1CCNC(=O)CN1CC[NH+](C)CC1 ZINC001178952802 820609883 /nfs/dbraw/zinc/60/98/83/820609883.db2.gz SVWBVQVBOKJUBK-UHFFFAOYSA-N 2 2 265.361 -0.445 20 0 CBADLP CNC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H]1C ZINC001179608348 820636535 /nfs/dbraw/zinc/63/65/35/820636535.db2.gz IFHFYLGMJLBFOK-ONGXEEELSA-N 2 2 279.344 -0.723 20 0 CBADLP CCNC(=O)C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@H]1C ZINC001180279648 820665469 /nfs/dbraw/zinc/66/54/69/820665469.db2.gz IQCPYPSLRABMDX-RYUDHWBXSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@H]1[C@@H]([NH2+]CCCO)CCN1C(=O)Cn1cc[nH+]c1 ZINC001180287807 820665864 /nfs/dbraw/zinc/66/58/64/820665864.db2.gz KATNIBCIOOATDC-RYUDHWBXSA-N 2 2 266.345 -0.156 20 0 CBADLP C[C@H](C(=O)NCC[NH+]1CC2(COC2)C1)[NH+]1CCCC1 ZINC001180582321 820695707 /nfs/dbraw/zinc/69/57/07/820695707.db2.gz KZOCNNQDYPVHJT-GFCCVEGCSA-N 2 2 267.373 -0.081 20 0 CBADLP Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001180760220 820717905 /nfs/dbraw/zinc/71/79/05/820717905.db2.gz MUGXATSMZLLWKQ-JTQLQIEISA-N 2 2 265.317 -0.900 20 0 CBADLP Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001180760220 820717911 /nfs/dbraw/zinc/71/79/11/820717911.db2.gz MUGXATSMZLLWKQ-JTQLQIEISA-N 2 2 265.317 -0.900 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)n2c(=N)sc3c2CC[C@H]([NH3+])C3)C1 ZINC001180758689 820719647 /nfs/dbraw/zinc/71/96/47/820719647.db2.gz GVYJNUBBFDFNRC-WPRPVWTQSA-N 2 2 296.396 -0.184 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)n2c(=N)sc3c2CC[C@H]([NH3+])C3)C1 ZINC001180758689 820719654 /nfs/dbraw/zinc/71/96/54/820719654.db2.gz GVYJNUBBFDFNRC-WPRPVWTQSA-N 2 2 296.396 -0.184 20 0 CBADLP C[C@@H](C(=O)NCC1([NH+]2CCCC2)COC1)[NH+](C)C ZINC001180865033 820734476 /nfs/dbraw/zinc/73/44/76/820734476.db2.gz QTEMVHBFNQZHGL-NSHDSACASA-N 2 2 255.362 -0.083 20 0 CBADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)[C@H](C)[NH+](C)C ZINC001180863113 820734494 /nfs/dbraw/zinc/73/44/94/820734494.db2.gz FGWJXPIDXUMGLB-GXSJLCMTSA-N 2 2 282.344 -0.430 20 0 CBADLP C[NH+](C)C[C@H]1COCCN1C(=O)Cc1cc[nH+]c(N)c1 ZINC001181255326 820768330 /nfs/dbraw/zinc/76/83/30/820768330.db2.gz LEZDXMZWJVWIBR-LBPRGKRZSA-N 2 2 278.356 -0.005 20 0 CBADLP N=c1ncc(C[NH3+])cn1C(=O)Cc1cc[nH+]c(N)c1 ZINC001181279201 820772056 /nfs/dbraw/zinc/77/20/56/820772056.db2.gz HMDHGMFWQYJJTL-UHFFFAOYSA-N 2 2 258.285 -0.319 20 0 CBADLP C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001182010297 820848909 /nfs/dbraw/zinc/84/89/09/820848909.db2.gz KXMHECPASZLNIR-STQMWFEESA-N 2 2 267.373 -0.225 20 0 CBADLP C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001182010297 820848921 /nfs/dbraw/zinc/84/89/21/820848921.db2.gz KXMHECPASZLNIR-STQMWFEESA-N 2 2 267.373 -0.225 20 0 CBADLP COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001183116077 820974268 /nfs/dbraw/zinc/97/42/68/820974268.db2.gz MVOVXZHOOXEJQK-CHWSQXEVSA-N 2 2 296.371 -0.460 20 0 CBADLP COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001183116077 820974272 /nfs/dbraw/zinc/97/42/72/820974272.db2.gz MVOVXZHOOXEJQK-CHWSQXEVSA-N 2 2 296.371 -0.460 20 0 CBADLP C[NH+](C)[C@H]1C[C@@H](C(=O)NC[C@@H]2C[N@H+](C)CCO2)C1 ZINC001183374925 820992592 /nfs/dbraw/zinc/99/25/92/820992592.db2.gz FNUNKPFFSFKZBF-GRYCIOLGSA-N 2 2 255.362 -0.227 20 0 CBADLP C[NH+](C)[C@H]1C[C@@H](C(=O)NC[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001183374925 820992599 /nfs/dbraw/zinc/99/25/99/820992599.db2.gz FNUNKPFFSFKZBF-GRYCIOLGSA-N 2 2 255.362 -0.227 20 0 CBADLP C[NH+](C)[C@H]1C[C@@H](C(=O)N[C@@H](CO)Cc2c[nH]c[nH+]2)C1 ZINC001183374622 820993174 /nfs/dbraw/zinc/99/31/74/820993174.db2.gz WKWFCWXJBFJCQR-JLLWLGSASA-N 2 2 266.345 -0.231 20 0 CBADLP C[NH+](C)[C@H]1C[C@@H](C(=O)N[C@@H](CO)Cc2c[nH+]c[nH]2)C1 ZINC001183374622 820993178 /nfs/dbraw/zinc/99/31/78/820993178.db2.gz WKWFCWXJBFJCQR-JLLWLGSASA-N 2 2 266.345 -0.231 20 0 CBADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@]1(C)C[NH2+]CC(N)=O ZINC001183583391 821006773 /nfs/dbraw/zinc/00/67/73/821006773.db2.gz DZXNTADUBYRCAX-BXUZGUMPSA-N 2 2 293.371 -0.557 20 0 CBADLP O=C(CCn1cc[nH+]c1)N1CC[C@@H]([NH2+]CCOCCO)C1 ZINC001184709677 821082711 /nfs/dbraw/zinc/08/27/11/821082711.db2.gz CYJOJZDMUPOSGA-CYBMUJFWSA-N 2 2 296.371 -0.527 20 0 CBADLP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)[C@@H]1C[NH+](C)CCN1C ZINC001185247153 821108871 /nfs/dbraw/zinc/10/88/71/821108871.db2.gz ZBEDNPQKUIKBJW-XQQFMLRXSA-N 2 2 268.405 -0.217 20 0 CBADLP C[C@@H]1C[NH+](C)[C@@H](C)CN1C(=O)[C@@H]1C[N@H+](C)CCN1C ZINC001185247153 821108876 /nfs/dbraw/zinc/10/88/76/821108876.db2.gz ZBEDNPQKUIKBJW-XQQFMLRXSA-N 2 2 268.405 -0.217 20 0 CBADLP C[C@@H]1C[NH+](C)[C@@H](C)CN1C(=O)[C@@H]1C[N@@H+](C)CCN1C ZINC001185247153 821108881 /nfs/dbraw/zinc/10/88/81/821108881.db2.gz ZBEDNPQKUIKBJW-XQQFMLRXSA-N 2 2 268.405 -0.217 20 0 CBADLP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001185960184 821146361 /nfs/dbraw/zinc/14/63/61/821146361.db2.gz UYQJDRWIJBWROK-NWDGAFQWSA-N 2 2 293.371 -0.229 20 0 CBADLP CCN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001185919716 821146793 /nfs/dbraw/zinc/14/67/93/821146793.db2.gz ZLJXMYPOXZLUCH-LLVKDONJSA-N 2 2 293.371 -0.379 20 0 CBADLP O=C(C[N@H+]1CC[C@@H](O)C1)NC1CC[NH+](CCF)CC1 ZINC001186055855 821164427 /nfs/dbraw/zinc/16/44/27/821164427.db2.gz VLTQIBYBZNPTQU-GFCCVEGCSA-N 2 2 273.352 -0.397 20 0 CBADLP O=C(C[N@@H+]1CC[C@@H](O)C1)NC1CC[NH+](CCF)CC1 ZINC001186055855 821164429 /nfs/dbraw/zinc/16/44/29/821164429.db2.gz VLTQIBYBZNPTQU-GFCCVEGCSA-N 2 2 273.352 -0.397 20 0 CBADLP C[C@H]([NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1)C(=O)N(C)C ZINC001186575873 821188911 /nfs/dbraw/zinc/18/89/11/821188911.db2.gz HAQNRNSCQOJDSH-WDEREUQCSA-N 2 2 293.371 -0.381 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H]([NH2+]CCCO)C1 ZINC001186575743 821188935 /nfs/dbraw/zinc/18/89/35/821188935.db2.gz AJLCYNJRXZBXLN-SNVBAGLBSA-N 2 2 252.318 -0.475 20 0 CBADLP NC(=O)C[N@H+]1CC=C(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001279687059 828334077 /nfs/dbraw/zinc/33/40/77/828334077.db2.gz DNQACGSWTDMNDH-UHFFFAOYSA-N 2 2 280.372 -0.684 20 0 CBADLP NC(=O)C[N@@H+]1CC=C(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001279687059 828334084 /nfs/dbraw/zinc/33/40/84/828334084.db2.gz DNQACGSWTDMNDH-UHFFFAOYSA-N 2 2 280.372 -0.684 20 0 CBADLP CC(C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001188368798 822332937 /nfs/dbraw/zinc/33/29/37/822332937.db2.gz KRQBHQRAURZEDM-GFCCVEGCSA-N 2 2 293.371 -0.402 20 0 CBADLP COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001188368826 822333525 /nfs/dbraw/zinc/33/35/25/822333525.db2.gz LOLOOYJYXQRDQZ-VXGBXAGGSA-N 2 2 282.344 -0.919 20 0 CBADLP CCN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001188368583 822333708 /nfs/dbraw/zinc/33/37/08/822333708.db2.gz BYCLOQLLYRTCCV-GFCCVEGCSA-N 2 2 293.371 -0.448 20 0 CBADLP C[C@@H](CCNC(=O)CCn1cc[nH+]c1)[NH2+]CCO ZINC001281740285 828424039 /nfs/dbraw/zinc/42/40/39/828424039.db2.gz QRJJTAYQYWSYQB-NSHDSACASA-N 2 2 254.334 -0.250 20 0 CBADLP CC[NH+]1CC(CCO)(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001282529618 828452226 /nfs/dbraw/zinc/45/22/26/828452226.db2.gz BHMXIVUOGIWJIZ-LLVKDONJSA-N 2 2 255.362 -0.347 20 0 CBADLP CC[NH+]1CC(CCO)(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001282529618 828452228 /nfs/dbraw/zinc/45/22/28/828452228.db2.gz BHMXIVUOGIWJIZ-LLVKDONJSA-N 2 2 255.362 -0.347 20 0 CBADLP O=C(N[C@H]1C[C@H](C[NH2+]CCO)C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001283052574 828492207 /nfs/dbraw/zinc/49/22/07/828492207.db2.gz WSSKRDAGZKDFJC-JHJVBQTASA-N 2 2 292.383 -0.078 20 0 CBADLP CC[C@H](C(=O)NCCNC(=O)Cc1c[nH]c[nH+]1)[NH+](C)C ZINC001283122038 828497348 /nfs/dbraw/zinc/49/73/48/828497348.db2.gz FQXKQHFUXNAEDF-LLVKDONJSA-N 2 2 281.360 -0.475 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)NCCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001283207152 828508133 /nfs/dbraw/zinc/50/81/33/828508133.db2.gz HPPVEEBHDIJTTQ-GFCCVEGCSA-N 2 2 293.371 -0.331 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)NCCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001283207152 828508136 /nfs/dbraw/zinc/50/81/36/828508136.db2.gz HPPVEEBHDIJTTQ-GFCCVEGCSA-N 2 2 293.371 -0.331 20 0 CBADLP O=C(NC[C@@H](CO)[NH2+]CCCF)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001283765908 828544890 /nfs/dbraw/zinc/54/48/90/828544890.db2.gz XDNXCXPOTRJQPB-HBNTYKKESA-N 2 2 284.335 -0.061 20 0 CBADLP O=C(NC[C@@H](CO)[NH2+]CCCF)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001283765908 828544893 /nfs/dbraw/zinc/54/48/93/828544893.db2.gz XDNXCXPOTRJQPB-HBNTYKKESA-N 2 2 284.335 -0.061 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@H](CO)[NH2+]CC1CC1 ZINC001283830947 828554711 /nfs/dbraw/zinc/55/47/11/828554711.db2.gz HZRJIWUKTYQFNZ-LLVKDONJSA-N 2 2 252.318 -0.640 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CC[C@H](C[NH2+]CCO)C1 ZINC001284224467 828576765 /nfs/dbraw/zinc/57/67/65/828576765.db2.gz IZQKQFWRZFSJSD-WDEREUQCSA-N 2 2 266.345 -0.181 20 0 CBADLP CN(C[C@@H](O)C[NH2+]CCF)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001284428140 828593935 /nfs/dbraw/zinc/59/39/35/828593935.db2.gz DQDRNLSDLKXWMX-AAEUAGOBSA-N 2 2 298.362 -0.176 20 0 CBADLP CN(C[C@@H](O)C[NH2+]CCCF)C(=O)Cn1cc[nH+]c1 ZINC001284475416 828600043 /nfs/dbraw/zinc/60/00/43/828600043.db2.gz BLSJRQMCQTYCSZ-NSHDSACASA-N 2 2 272.324 -0.348 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1C[N@@H+](CC2CC2)C[C@H]1O ZINC001193619199 824040226 /nfs/dbraw/zinc/04/02/26/824040226.db2.gz IZIWUHANZBBFJA-CHWSQXEVSA-N 2 2 278.356 -0.086 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1C[N@H+](CC2CC2)C[C@H]1O ZINC001193619199 824040231 /nfs/dbraw/zinc/04/02/31/824040231.db2.gz IZIWUHANZBBFJA-CHWSQXEVSA-N 2 2 278.356 -0.086 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1C[N@@H+](CC2CC2)C[C@H]1O ZINC001193619199 824040235 /nfs/dbraw/zinc/04/02/35/824040235.db2.gz IZIWUHANZBBFJA-CHWSQXEVSA-N 2 2 278.356 -0.086 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1C[N@H+](CC2CC2)C[C@H]1O ZINC001193619199 824040242 /nfs/dbraw/zinc/04/02/42/824040242.db2.gz IZIWUHANZBBFJA-CHWSQXEVSA-N 2 2 278.356 -0.086 20 0 CBADLP C[N@H+](CCCO)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194457836 824074268 /nfs/dbraw/zinc/07/42/68/824074268.db2.gz BKZAMQBFVHSKAA-GFCCVEGCSA-N 2 2 266.345 -0.202 20 0 CBADLP C[N@@H+](CCCO)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194457836 824074270 /nfs/dbraw/zinc/07/42/70/824074270.db2.gz BKZAMQBFVHSKAA-GFCCVEGCSA-N 2 2 266.345 -0.202 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1C[N@H+](CC2CC2)C[C@H]1O ZINC001194909613 824095208 /nfs/dbraw/zinc/09/52/08/824095208.db2.gz RZSVMOGQIALMCK-CHWSQXEVSA-N 2 2 292.383 -0.076 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@H]1O ZINC001194909613 824095209 /nfs/dbraw/zinc/09/52/09/824095209.db2.gz RZSVMOGQIALMCK-CHWSQXEVSA-N 2 2 292.383 -0.076 20 0 CBADLP CO[C@@H](C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001195149467 824104904 /nfs/dbraw/zinc/10/49/04/824104904.db2.gz OKDABKFFHOOSNW-YNEHKIRRSA-N 2 2 296.371 -0.531 20 0 CBADLP CO[C@@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001195149467 824104906 /nfs/dbraw/zinc/10/49/06/824104906.db2.gz OKDABKFFHOOSNW-YNEHKIRRSA-N 2 2 296.371 -0.531 20 0 CBADLP CCCNC(=O)C[N@@H+]1CCCN(C(=O)CC[NH+](C)C)CC1 ZINC001197044974 824176599 /nfs/dbraw/zinc/17/65/99/824176599.db2.gz YGLSGXKAUDTNIB-UHFFFAOYSA-N 2 2 298.431 -0.001 20 0 CBADLP CCCNC(=O)C[N@H+]1CCCN(C(=O)CC[NH+](C)C)CC1 ZINC001197044974 824176604 /nfs/dbraw/zinc/17/66/04/824176604.db2.gz YGLSGXKAUDTNIB-UHFFFAOYSA-N 2 2 298.431 -0.001 20 0 CBADLP CC[NH+](CC)CC(=O)N1CCC[N@@H+]([C@@H](C)C(N)=O)CC1 ZINC001197511986 824194701 /nfs/dbraw/zinc/19/47/01/824194701.db2.gz SNRQBPIYRSKUJK-LBPRGKRZSA-N 2 2 284.404 -0.264 20 0 CBADLP CC[NH+](CC)CC(=O)N1CCC[N@H+]([C@@H](C)C(N)=O)CC1 ZINC001197511986 824194704 /nfs/dbraw/zinc/19/47/04/824194704.db2.gz SNRQBPIYRSKUJK-LBPRGKRZSA-N 2 2 284.404 -0.264 20 0 CBADLP CCC[N@@H+](C)CC(=O)N1CCC[NH+]([C@@H](C)C(N)=O)CC1 ZINC001197914558 824208177 /nfs/dbraw/zinc/20/81/77/824208177.db2.gz WJNUGOUHLRNIJK-LBPRGKRZSA-N 2 2 284.404 -0.264 20 0 CBADLP CCC[NH+](C)CC(=O)N1CCC[N@@H+]([C@@H](C)C(N)=O)CC1 ZINC001197914558 824208184 /nfs/dbraw/zinc/20/81/84/824208184.db2.gz WJNUGOUHLRNIJK-LBPRGKRZSA-N 2 2 284.404 -0.264 20 0 CBADLP CCC[NH+](C)CC(=O)N1CCC[N@H+]([C@@H](C)C(N)=O)CC1 ZINC001197914558 824208190 /nfs/dbraw/zinc/20/81/90/824208190.db2.gz WJNUGOUHLRNIJK-LBPRGKRZSA-N 2 2 284.404 -0.264 20 0 CBADLP CC(C)OCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001199414751 824267427 /nfs/dbraw/zinc/26/74/27/824267427.db2.gz FYSWOTIWCNGNTN-CHWSQXEVSA-N 2 2 296.371 -0.531 20 0 CBADLP CC(C)OCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001199414751 824267435 /nfs/dbraw/zinc/26/74/35/824267435.db2.gz FYSWOTIWCNGNTN-CHWSQXEVSA-N 2 2 296.371 -0.531 20 0 CBADLP C[NH+](C)C1CN(C(=S)NCCC[NH+]2CCOCC2)C1 ZINC001199937384 824297749 /nfs/dbraw/zinc/29/77/49/824297749.db2.gz WNHYQKAUYZIUKZ-UHFFFAOYSA-N 2 2 286.445 -0.171 20 0 CBADLP O=C(CCn1cc[nH+]c1)N1CCCO[C@H](C[NH2+]CCO)C1 ZINC001201104330 824327986 /nfs/dbraw/zinc/32/79/86/824327986.db2.gz NHTMFGSYHQOXHN-CYBMUJFWSA-N 2 2 296.371 -0.527 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CCCO[C@H](C[NH2+]CCCO)C1 ZINC001201493534 824333839 /nfs/dbraw/zinc/33/38/39/824333839.db2.gz GCILQZIPSOZHNC-CYBMUJFWSA-N 2 2 296.371 -0.458 20 0 CBADLP C[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCCO1 ZINC001201719138 824335144 /nfs/dbraw/zinc/33/51/44/824335144.db2.gz GVQOIOFQRKHJLJ-NWDGAFQWSA-N 2 2 296.371 -0.460 20 0 CBADLP C[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCCO1 ZINC001202217303 824342482 /nfs/dbraw/zinc/34/24/82/824342482.db2.gz PBTQJVATSJBSHP-CHWSQXEVSA-N 2 2 296.371 -0.529 20 0 CBADLP CC[N@@H+]1CCO[C@@H]2C[NH+](C[C@@H]3CCC(=O)N3)C[C@@H]2C1 ZINC001202845287 824352714 /nfs/dbraw/zinc/35/27/14/824352714.db2.gz VLVXVYRVNZVUQV-RWMBFGLXSA-N 2 2 267.373 -0.083 20 0 CBADLP CC[N@H+]1CCO[C@@H]2C[NH+](C[C@@H]3CCC(=O)N3)C[C@@H]2C1 ZINC001202845287 824352716 /nfs/dbraw/zinc/35/27/16/824352716.db2.gz VLVXVYRVNZVUQV-RWMBFGLXSA-N 2 2 267.373 -0.083 20 0 CBADLP CC[NH+]1CCO[C@@H]2C[N@H+](C[C@@H]3CCC(=O)N3)C[C@@H]2C1 ZINC001202845287 824352718 /nfs/dbraw/zinc/35/27/18/824352718.db2.gz VLVXVYRVNZVUQV-RWMBFGLXSA-N 2 2 267.373 -0.083 20 0 CBADLP CC[NH+]1CCO[C@@H]2C[N@@H+](C[C@@H]3CCC(=O)N3)C[C@@H]2C1 ZINC001202845287 824352721 /nfs/dbraw/zinc/35/27/21/824352721.db2.gz VLVXVYRVNZVUQV-RWMBFGLXSA-N 2 2 267.373 -0.083 20 0 CBADLP CN(C)C(=O)C[NH2+]C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001203051806 824357865 /nfs/dbraw/zinc/35/78/65/824357865.db2.gz IFYXWYCNIRRDLE-UHFFFAOYSA-N 2 2 293.371 -0.379 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CCC([NH2+]CCCO)CC1 ZINC001203337414 824361892 /nfs/dbraw/zinc/36/18/92/824361892.db2.gz IFNDOABBDLBLHJ-UHFFFAOYSA-N 2 2 280.372 -0.074 20 0 CBADLP N[C@H]1NC(C[N@@H+]2CCCC[C@](O)(C[NH3+])C2)=CS1 ZINC001205662763 824380605 /nfs/dbraw/zinc/38/06/05/824380605.db2.gz DIJUDZCWNWPQPO-QWRGUYRKSA-N 2 2 258.391 -0.418 20 0 CBADLP N[C@H]1NC(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)=CS1 ZINC001205662763 824380609 /nfs/dbraw/zinc/38/06/09/824380609.db2.gz DIJUDZCWNWPQPO-QWRGUYRKSA-N 2 2 258.391 -0.418 20 0 CBADLP Nc1cnc(C[N@@H+]2CCCC[C@@](O)(C[NH3+])C2)cn1 ZINC001205725245 824384321 /nfs/dbraw/zinc/38/43/21/824384321.db2.gz FKRTXRXQMUDCDF-GFCCVEGCSA-N 2 2 251.334 -0.266 20 0 CBADLP Nc1cnc(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)cn1 ZINC001205725245 824384324 /nfs/dbraw/zinc/38/43/24/824384324.db2.gz FKRTXRXQMUDCDF-GFCCVEGCSA-N 2 2 251.334 -0.266 20 0 CBADLP CN(C)c1ncc(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cn1 ZINC001206469522 824400502 /nfs/dbraw/zinc/40/05/02/824400502.db2.gz QXBUNALCXZKWGH-WDEREUQCSA-N 2 2 251.334 -0.706 20 0 CBADLP CN(C)c1ncc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cn1 ZINC001206469522 824400505 /nfs/dbraw/zinc/40/05/05/824400505.db2.gz QXBUNALCXZKWGH-WDEREUQCSA-N 2 2 251.334 -0.706 20 0 CBADLP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206511808 824401630 /nfs/dbraw/zinc/40/16/30/824401630.db2.gz CCNQUQABKPVGPQ-RCWTZXSCSA-N 3 2 263.332 -0.271 20 0 CBADLP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206511808 824401631 /nfs/dbraw/zinc/40/16/31/824401631.db2.gz CCNQUQABKPVGPQ-RCWTZXSCSA-N 3 2 263.332 -0.271 20 0 CBADLP CNC(=O)C[NH2+]CC1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001206683458 824405486 /nfs/dbraw/zinc/40/54/86/824405486.db2.gz HTURIBSXMJLZIK-UHFFFAOYSA-N 2 2 293.371 -0.474 20 0 CBADLP CCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001206739567 824406473 /nfs/dbraw/zinc/40/64/73/824406473.db2.gz PIEGFIFTJBLTNW-MCIONIFRSA-N 2 2 299.415 -0.210 20 0 CBADLP CCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001206739567 824406478 /nfs/dbraw/zinc/40/64/78/824406478.db2.gz PIEGFIFTJBLTNW-MCIONIFRSA-N 2 2 299.415 -0.210 20 0 CBADLP CCOCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001206739567 824406481 /nfs/dbraw/zinc/40/64/81/824406481.db2.gz PIEGFIFTJBLTNW-MCIONIFRSA-N 2 2 299.415 -0.210 20 0 CBADLP CCOCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001206739567 824406484 /nfs/dbraw/zinc/40/64/84/824406484.db2.gz PIEGFIFTJBLTNW-MCIONIFRSA-N 2 2 299.415 -0.210 20 0 CBADLP CCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001206739568 824407064 /nfs/dbraw/zinc/40/70/64/824407064.db2.gz PIEGFIFTJBLTNW-MGPQQGTHSA-N 2 2 299.415 -0.210 20 0 CBADLP CCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001206739568 824407065 /nfs/dbraw/zinc/40/70/65/824407065.db2.gz PIEGFIFTJBLTNW-MGPQQGTHSA-N 2 2 299.415 -0.210 20 0 CBADLP CCOCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001206739568 824407068 /nfs/dbraw/zinc/40/70/68/824407068.db2.gz PIEGFIFTJBLTNW-MGPQQGTHSA-N 2 2 299.415 -0.210 20 0 CBADLP CCOCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001206739568 824407070 /nfs/dbraw/zinc/40/70/70/824407070.db2.gz PIEGFIFTJBLTNW-MGPQQGTHSA-N 2 2 299.415 -0.210 20 0 CBADLP O=S1(=O)CCN(C2C[NH+](CC3CC[NH2+]CC3)C2)CC1 ZINC001207439650 824427716 /nfs/dbraw/zinc/42/77/16/824427716.db2.gz XFZFSQSXZRCGKV-UHFFFAOYSA-N 2 2 287.429 -0.599 20 0 CBADLP CC[NH+](CC)CCCNS(=O)(=O)N1CC[NH+](C)CC1 ZINC001207984123 824443731 /nfs/dbraw/zinc/44/37/31/824443731.db2.gz AIIAKLDUSWMHNL-UHFFFAOYSA-N 2 2 292.449 -0.200 20 0 CBADLP C[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001208064227 824446487 /nfs/dbraw/zinc/44/64/87/824446487.db2.gz LREPBVQDEWUYFH-VXGBXAGGSA-N 2 2 280.372 -0.219 20 0 CBADLP C[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001208064227 824446493 /nfs/dbraw/zinc/44/64/93/824446493.db2.gz LREPBVQDEWUYFH-VXGBXAGGSA-N 2 2 280.372 -0.219 20 0 CBADLP CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001213802551 824516384 /nfs/dbraw/zinc/51/63/84/824516384.db2.gz XBBLLJVYYKNIGU-CHWSQXEVSA-N 2 2 296.371 -0.840 20 0 CBADLP CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001213802551 824516387 /nfs/dbraw/zinc/51/63/87/824516387.db2.gz XBBLLJVYYKNIGU-CHWSQXEVSA-N 2 2 296.371 -0.840 20 0 CBADLP CCOCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](OC)C1 ZINC001213979684 824517337 /nfs/dbraw/zinc/51/73/37/824517337.db2.gz DNJAQAOFCRWRGZ-CHWSQXEVSA-N 2 2 296.371 -0.265 20 0 CBADLP CCOCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](OC)C1 ZINC001213979684 824517341 /nfs/dbraw/zinc/51/73/41/824517341.db2.gz DNJAQAOFCRWRGZ-CHWSQXEVSA-N 2 2 296.371 -0.265 20 0 CBADLP COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001216061918 824545210 /nfs/dbraw/zinc/54/52/10/824545210.db2.gz SYOBLFLPQQHYPW-GRYCIOLGSA-N 2 2 296.371 -0.604 20 0 CBADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]CCCO ZINC001217010717 824551039 /nfs/dbraw/zinc/55/10/39/824551039.db2.gz UOHVIZXKFDEXPS-VXGBXAGGSA-N 2 2 266.345 -0.298 20 0 CBADLP [NH3+][C@H](CN1CCC([NH3+])CC1)c1nnc([C@H]2CCOC2)o1 ZINC001217757682 824561106 /nfs/dbraw/zinc/56/11/06/824561106.db2.gz QYGKCVGXRJWTKU-GXSJLCMTSA-N 2 2 281.360 -0.004 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](OC[C@@H]2C[C@H]3CC[NH2+]C[C@@H]3O2)C[NH2+]1 ZINC001217823190 824562440 /nfs/dbraw/zinc/56/24/40/824562440.db2.gz NJIGLQLEUSPCKP-BNDIWNMDSA-N 2 2 284.356 -0.327 20 0 CBADLP COC(=O)[C@@H]1C[C@H](OC[C@H]2C[C@@H]3CC[NH2+]C[C@@H]3O2)C[NH2+]1 ZINC001217822217 824562886 /nfs/dbraw/zinc/56/28/86/824562886.db2.gz NJIGLQLEUSPCKP-WJTVCTBASA-N 2 2 284.356 -0.327 20 0 CBADLP Cn1cnc(NC(=O)C2([NH3+])CC[NH2+]CC2)c2ncnc1-2 ZINC001218494635 824568213 /nfs/dbraw/zinc/56/82/13/824568213.db2.gz KRADRVRIPZUHSG-UHFFFAOYSA-N 2 2 275.316 -0.666 20 0 CBADLP Cn1cnc(NC(=O)C[NH2+]C2CC[NH2+]CC2)c2ncnc1-2 ZINC001218494749 824569441 /nfs/dbraw/zinc/56/94/41/824569441.db2.gz CILFLWLLFIPQLW-UHFFFAOYSA-N 2 2 289.343 -0.405 20 0 CBADLP Cc1cc(C[C@@H](C)NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])on1 ZINC001218500257 824570198 /nfs/dbraw/zinc/57/01/98/824570198.db2.gz FQRARICBZZPJOE-GGVZMXCHSA-N 2 2 252.318 -0.423 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2cccnc2-n2cccn2)C1 ZINC001218503292 824572257 /nfs/dbraw/zinc/57/22/57/824572257.db2.gz ZFGAZAXHZDVHRG-KOLCDFICSA-N 2 2 272.312 -0.105 20 0 CBADLP CCOC(=O)c1cc(NC(=O)C[NH2+]C2CC[NH2+]CC2)[nH]n1 ZINC001218509611 824575428 /nfs/dbraw/zinc/57/54/28/824575428.db2.gz DGIPBXHRLKKEOQ-UHFFFAOYSA-N 2 2 295.343 -0.134 20 0 CBADLP Cn1c(NC(=O)[C@@H]([NH3+])CC[NH3+])nnc1C(F)(F)F ZINC001218515430 824579595 /nfs/dbraw/zinc/57/95/95/824579595.db2.gz NKUGKAJCHUUYIK-BYPYZUCNSA-N 2 2 266.227 -0.552 20 0 CBADLP COc1nc(Cl)cc(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)n1 ZINC001218519109 824580043 /nfs/dbraw/zinc/58/00/43/824580043.db2.gz QVWFULCOVJHIGQ-RITPCOANSA-N 2 2 271.708 -0.234 20 0 CBADLP Cc1noc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)c1C(N)=O ZINC001218551091 824588713 /nfs/dbraw/zinc/58/87/13/824588713.db2.gz CTXZEPKBCHKLLU-QMMMGPOBSA-N 2 2 292.299 -0.676 20 0 CBADLP COCCCN(C(=O)[C@@H]([NH3+])CC[NH3+])c1ncccc1N ZINC001218560078 824592512 /nfs/dbraw/zinc/59/25/12/824592512.db2.gz GQLDRVHUXIGMFB-NSHDSACASA-N 2 2 281.360 -0.291 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccnn1Cc1cccnc1 ZINC001218564985 824592926 /nfs/dbraw/zinc/59/29/26/824592926.db2.gz OVRNFVMHZYISOA-RYUDHWBXSA-N 2 2 286.339 -0.188 20 0 CBADLP COC(=O)c1cncc(NC(=O)C[NH2+]C2CC[NH2+]CC2)n1 ZINC001218580736 824599219 /nfs/dbraw/zinc/59/92/19/824599219.db2.gz WGQGIECKOYNLDR-UHFFFAOYSA-N 2 2 293.327 -0.457 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2cnn(C3CCOCC3)c2)C1 ZINC001218588768 824600851 /nfs/dbraw/zinc/60/08/51/824600851.db2.gz NTONFPNIAIVZDA-SKDRFNHKSA-N 2 2 279.344 -0.138 20 0 CBADLP COc1ncc(NC(=O)C2([NH3+])CC[NH2+]CC2)cn1 ZINC001218594187 824601839 /nfs/dbraw/zinc/60/18/39/824601839.db2.gz UTSKVAGYEGHSPM-UHFFFAOYSA-N 2 2 251.290 -0.495 20 0 CBADLP N=c1c(N)cnc(Cl)n1C(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001218621254 824605952 /nfs/dbraw/zinc/60/59/52/824605952.db2.gz IMDMXFHHEAZRDF-UHFFFAOYSA-N 2 2 284.751 -0.420 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2csc(N3CCOCC3)n2)C1 ZINC001218621931 824606223 /nfs/dbraw/zinc/60/62/23/824606223.db2.gz OXWBBFMGKXWFBD-BDAKNGLRSA-N 2 2 297.384 -0.393 20 0 CBADLP N=c1c(N)cnc(Cl)n1C(=O)C1([NH3+])CC[NH2+]CC1 ZINC001218622838 824606345 /nfs/dbraw/zinc/60/63/45/824606345.db2.gz WZNZOOSUNOEMKR-UHFFFAOYSA-N 2 2 270.724 -0.681 20 0 CBADLP COC(=O)c1scnc1NC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001218623895 824607421 /nfs/dbraw/zinc/60/74/21/824607421.db2.gz UCEMYRUHYRJAJA-UHFFFAOYSA-N 2 2 284.341 -0.051 20 0 CBADLP Cc1cc(C)n2nc(NC(=O)[C@@H]([NH3+])CC[NH3+])cc2n1 ZINC001218628513 824609191 /nfs/dbraw/zinc/60/91/91/824609191.db2.gz MYWIHAPDWZZWNW-VIFPVBQESA-N 2 2 262.317 -0.039 20 0 CBADLP COC(=O)c1onc(C)c1NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001218635880 824611066 /nfs/dbraw/zinc/61/10/66/824611066.db2.gz KILPKJCZVITLOJ-RQJHMYQMSA-N 2 2 268.273 -0.603 20 0 CBADLP Cc1nc(Cl)c(N)c(=N)n1C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001218641960 824612822 /nfs/dbraw/zinc/61/28/22/824612822.db2.gz LBKAVEXAVAZPTH-RITPCOANSA-N 2 2 270.724 -0.764 20 0 CBADLP COC(=O)c1n[nH]c(C)c1NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001218640391 824612973 /nfs/dbraw/zinc/61/29/73/824612973.db2.gz NGBCZMQHNGRQFC-RQJHMYQMSA-N 2 2 267.289 -0.868 20 0 CBADLP CCOC(=O)c1cccc(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])n1 ZINC001218646684 824613902 /nfs/dbraw/zinc/61/39/02/824613902.db2.gz BCITXEROIVWXCH-IUCAKERBSA-N 2 2 278.312 -0.257 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1cn[nH]c(=O)c1 ZINC001218652025 824615196 /nfs/dbraw/zinc/61/51/96/824615196.db2.gz IJLZWOBYZNWAAO-VIFPVBQESA-N 2 2 262.273 -0.576 20 0 CBADLP COc1ncnc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)c1OC ZINC001218653182 824616837 /nfs/dbraw/zinc/61/68/37/824616837.db2.gz PLLNDRRQRIFTHJ-QMMMGPOBSA-N 2 2 292.299 -0.275 20 0 CBADLP O=C(C[NH2+]C1CC[NH2+]CC1)Nc1cn[nH]c(=O)c1 ZINC001218652849 824616901 /nfs/dbraw/zinc/61/69/01/824616901.db2.gz QKVMNFQSUYOUAG-UHFFFAOYSA-N 2 2 251.290 -0.538 20 0 CBADLP COc1ncnc(NC(=O)[C@@H]([NH3+])CC[NH3+])c1OC ZINC001218653183 824617185 /nfs/dbraw/zinc/61/71/85/824617185.db2.gz PLPDUTUZRUYIMP-LURJTMIESA-N 2 2 255.278 -0.892 20 0 CBADLP [NH3+]C1(C(=O)Nc2ccn3cnnc3c2)CC[NH2+]CC1 ZINC001218657238 824617287 /nfs/dbraw/zinc/61/72/87/824617287.db2.gz FUEHTOMORMAUAR-UHFFFAOYSA-N 2 2 260.301 -0.251 20 0 CBADLP COCn1cc(NC(=O)C2([NH3+])CC[NH2+]CC2)cn1 ZINC001218700033 824624064 /nfs/dbraw/zinc/62/40/64/824624064.db2.gz BKXBVOTVWWFJIM-UHFFFAOYSA-N 2 2 253.306 -0.494 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2cc([C@H]3CCC[NH2+]3)no2)C1 ZINC001218713934 824627107 /nfs/dbraw/zinc/62/71/07/824627107.db2.gz VADRNDBXVUNUTI-MRTMQBJTSA-N 3 2 265.317 -0.273 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cc([C@H]2CCC[NH2+]2)no1 ZINC001218713661 824628149 /nfs/dbraw/zinc/62/81/49/824628149.db2.gz UIBXBNUOHKFSRK-XHNCKOQMSA-N 3 2 265.317 -0.416 20 0 CBADLP COc1cnc(Cl)c(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])n1 ZINC001218721400 824628990 /nfs/dbraw/zinc/62/89/90/824628990.db2.gz WJNXIVXWSUUTBI-WDSKDSINSA-N 2 2 271.708 -0.376 20 0 CBADLP COc1cnc(Cl)c(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)n1 ZINC001218720671 824629443 /nfs/dbraw/zinc/62/94/43/824629443.db2.gz NUQHDCJLUKTNSS-RITPCOANSA-N 2 2 271.708 -0.234 20 0 CBADLP CCOC(=O)c1nc(NC(=O)C[NH2+]C2CC[NH2+]CC2)c[nH]1 ZINC001218765562 824636345 /nfs/dbraw/zinc/63/63/45/824636345.db2.gz WHNSDKIVHUDKIQ-UHFFFAOYSA-N 2 2 295.343 -0.134 20 0 CBADLP COC(=O)c1c[nH]c2nc[nH+]c(NC(=O)C[C@@H](O)C[NH3+])c12 ZINC001218772611 824637657 /nfs/dbraw/zinc/63/76/57/824637657.db2.gz QTANBFJNXGYOEZ-ZCFIWIBFSA-N 2 2 293.283 -0.607 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ncccc1CCO ZINC001218792911 824638842 /nfs/dbraw/zinc/63/88/42/824638842.db2.gz RXKRPXRYHQWKII-UWVGGRQHSA-N 2 2 250.302 -0.898 20 0 CBADLP [NH3+]C1(C(=O)Nc2ncccc2CCO)CC[NH2+]CC1 ZINC001218793125 824638987 /nfs/dbraw/zinc/63/89/87/824638987.db2.gz VDQAMPQWNYXQNQ-UHFFFAOYSA-N 2 2 264.329 -0.364 20 0 CBADLP [NH3+]C1(C(=O)Nc2cnn3c2OCCC3)CC[NH2+]CC1 ZINC001218794543 824640909 /nfs/dbraw/zinc/64/09/09/824640909.db2.gz QJGTYGDLAFFVDU-UHFFFAOYSA-N 2 2 265.317 -0.315 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc(Cn2cncn2)cc1 ZINC001218836118 824643437 /nfs/dbraw/zinc/64/34/37/824643437.db2.gz CZHGAHWICCAZFT-STQMWFEESA-N 2 2 286.339 -0.188 20 0 CBADLP Cn1nnc2cc(NC(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)ccc21 ZINC001218881118 824645865 /nfs/dbraw/zinc/64/58/65/824645865.db2.gz NVVYPWFTTHSWAG-XCBNKYQSSA-N 2 2 260.301 -0.404 20 0 CBADLP COC(=O)c1cc(O)c(OC)cc1NC(=O)[C@@H]([NH3+])CC[NH3+] ZINC001218882703 824646148 /nfs/dbraw/zinc/64/61/48/824646148.db2.gz AICUBWOFKFNVNK-QMMMGPOBSA-N 2 2 297.311 -0.198 20 0 CBADLP Nc1ccc(COCCO)c(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])c1 ZINC001218917300 824646886 /nfs/dbraw/zinc/64/68/86/824646886.db2.gz KPWUTOVHCQYFSY-RYUDHWBXSA-N 2 2 294.355 -0.737 20 0 CBADLP Nc1ccc(OCCO)c(NC(=O)C2([NH3+])CC[NH2+]CC2)c1 ZINC001218917936 824647133 /nfs/dbraw/zinc/64/71/33/824647133.db2.gz DFKVVFVREHIPIP-UHFFFAOYSA-N 2 2 294.355 -0.341 20 0 CBADLP Nc1ccc(OCCO)c(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)c1 ZINC001218920222 824648790 /nfs/dbraw/zinc/64/87/90/824648790.db2.gz WBCZNZOTKVZEMV-KOLCDFICSA-N 2 2 280.328 -0.732 20 0 CBADLP COC(=O)c1n[nH]c2cccc(NC(=O)[C@@H]([NH3+])CC[NH3+])c21 ZINC001218933009 824648806 /nfs/dbraw/zinc/64/88/06/824648806.db2.gz VWCYYGHVEBINFR-ZETCQYMHSA-N 2 2 291.311 -0.036 20 0 CBADLP NC(=O)Cc1cccc(NC(=O)[C@@H]([NH3+])CC[NH3+])c1 ZINC001218955836 824649740 /nfs/dbraw/zinc/64/97/40/824649740.db2.gz YQVLFFFNDSQUGA-JTQLQIEISA-N 2 2 250.302 -0.671 20 0 CBADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)Nc1cccc2c1C[NH2+]C2 ZINC001218995830 824652385 /nfs/dbraw/zinc/65/23/85/824652385.db2.gz ZJAFJRAEEVQQPP-VIFPVBQESA-N 2 2 273.300 -0.689 20 0 CBADLP Nc1cccc2c1CS(=O)(=O)N2C(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001219414684 824705375 /nfs/dbraw/zinc/70/53/75/824705375.db2.gz HNDNRCVKCPDGTD-JTQLQIEISA-N 2 2 298.368 -0.489 20 0 CBADLP NC(=O)c1cc(O)cc(NC(=O)C2([NH3+])CC[NH2+]CC2)c1 ZINC001219441704 824710283 /nfs/dbraw/zinc/71/02/83/824710283.db2.gz OEWQVPGALDZTMG-UHFFFAOYSA-N 2 2 278.312 -0.490 20 0 CBADLP NC(=O)c1cc(O)cc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)c1 ZINC001219440214 824711147 /nfs/dbraw/zinc/71/11/47/824711147.db2.gz VQCMSGQTJXDAIE-NSHDSACASA-N 2 2 289.295 -0.277 20 0 CBADLP COc1c(O)cccc1NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001219518565 824721434 /nfs/dbraw/zinc/72/14/34/824721434.db2.gz PUYVPWMCFVWBLV-YUMQZZPRSA-N 2 2 251.286 -0.114 20 0 CBADLP CC(=O)Nc1ccc(O)c(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])c1 ZINC001219530086 824722477 /nfs/dbraw/zinc/72/24/77/824722477.db2.gz JUGIALIEUSAOSL-UWVGGRQHSA-N 2 2 278.312 -0.164 20 0 CBADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1cccc2c1[C@H]1C[NH2+]C[C@@H]1O2 ZINC001219537298 824723328 /nfs/dbraw/zinc/72/33/28/824723328.db2.gz KVYALGNBGUKSLX-AUTRQRHGSA-N 3 2 276.340 -0.251 20 0 CBADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1cccc2c1[C@@H]1C[NH2+]C[C@@H]1O2 ZINC001219537300 824723596 /nfs/dbraw/zinc/72/35/96/824723596.db2.gz KVYALGNBGUKSLX-PTRXPTGYSA-N 3 2 276.340 -0.251 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NCC(F)(F)F ZINC001219553755 824727022 /nfs/dbraw/zinc/72/70/22/824727022.db2.gz KPTAFVVKJRSTCS-ZETCQYMHSA-N 2 2 250.224 -0.032 20 0 CBADLP [NH3+][C@H](C(=O)NCCn1cc[nH+]c1)C1CCC(O)CC1 ZINC001219563901 824730544 /nfs/dbraw/zinc/73/05/44/824730544.db2.gz MTXRJMOJBUXFOV-MCIGGMRASA-N 2 2 266.345 -0.122 20 0 CBADLP Cn1cncc1C[C@H]([NH3+])C(=O)NCCn1cc[nH+]c1 ZINC001219563903 824731267 /nfs/dbraw/zinc/73/12/67/824731267.db2.gz MVSJOIZQFSKOLI-NSHDSACASA-N 2 2 262.317 -0.697 20 0 CBADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)NCCn2ccnn2)cc1 ZINC001219565730 824733068 /nfs/dbraw/zinc/73/30/68/824733068.db2.gz NIXQCXPVSYJIJW-LBPRGKRZSA-N 2 2 274.328 -0.333 20 0 CBADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NCCN1CCCCC1=O ZINC001219567197 824733186 /nfs/dbraw/zinc/73/31/86/824733186.db2.gz AGUALDLZIILUCR-LLVKDONJSA-N 2 2 279.344 -0.592 20 0 CBADLP Cc1cc(C)n(CCNC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])n1 ZINC001219595694 824739725 /nfs/dbraw/zinc/73/97/25/824739725.db2.gz KUICSBCSCVKBAY-QWRGUYRKSA-N 2 2 251.334 -0.837 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NC[C@@H](O)c1ccco1 ZINC001219604580 824851613 /nfs/dbraw/zinc/85/16/13/824851613.db2.gz RWYLZTQHEQJQLV-WDEREUQCSA-N 2 2 278.312 -0.267 20 0 CBADLP Cc1nocc1CNC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001219608025 824852430 /nfs/dbraw/zinc/85/24/30/824852430.db2.gz MHPUVXSDOIBWBP-CMPLNLGQSA-N 2 2 250.302 -0.449 20 0 CBADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N[C@]2(C(F)(F)F)CC[NH2+]C2)C1 ZINC001219614318 824854991 /nfs/dbraw/zinc/85/49/91/824854991.db2.gz WZXDHNKKBUNVSU-ACLDMZEESA-N 3 2 266.267 -0.914 20 0 CBADLP C[C@H](C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F)n1cc[nH+]c1 ZINC001219616014 824857560 /nfs/dbraw/zinc/85/75/60/824857560.db2.gz MAWCOIXFEQTGJY-JFGNBEQYSA-N 2 2 270.308 -0.377 20 0 CBADLP CC(C)C[C@H](CO)NC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001219631309 824865055 /nfs/dbraw/zinc/86/50/55/824865055.db2.gz WZBATDHGCPPHCT-NQBHXWOUSA-N 2 2 255.362 -0.539 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NCCN1CCCCO1 ZINC001219632610 824866323 /nfs/dbraw/zinc/86/63/23/824866323.db2.gz PNTACGWVDHUVBA-LBPRGKRZSA-N 2 2 281.360 -0.567 20 0 CBADLP C[C@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)C1 ZINC001219638895 824867622 /nfs/dbraw/zinc/86/76/22/824867622.db2.gz RIPOGFZQGXMQEV-SCVCMEIPSA-N 3 2 265.361 -0.359 20 0 CBADLP CC(=O)N[C@@H](CCCC[NH3+])C(=O)NCCc1cn(C)c[nH+]1 ZINC001219634279 824867734 /nfs/dbraw/zinc/86/77/34/824867734.db2.gz RKOGRKKCJWDFGL-ZDUSSCGKSA-N 2 2 295.387 -0.288 20 0 CBADLP C[C@H]1C[NH2+]C[C@@H](CNC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)C1 ZINC001219641156 824870175 /nfs/dbraw/zinc/87/01/75/824870175.db2.gz GBIQAMQGLKRTSA-OJROKELRSA-N 3 2 266.389 -0.430 20 0 CBADLP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@H](N)C[NH+]2CCC([NH3+])CC2)C1 ZINC001219648999 824873615 /nfs/dbraw/zinc/87/36/15/824873615.db2.gz CZQMDVGJSZIKCA-SGMGOOAPSA-N 3 2 297.447 -0.901 20 0 CBADLP C[C@@H]1C[C@@H](CNC(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)C[NH2+]1 ZINC001219685246 824877653 /nfs/dbraw/zinc/87/76/53/824877653.db2.gz XWLDWYWGWJINRO-HNCHTBHHSA-N 3 2 252.362 -0.948 20 0 CBADLP NC(=O)C1(NC(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)CC1 ZINC001219682160 824877957 /nfs/dbraw/zinc/87/79/57/824877957.db2.gz IIEVVGLNTVKQCA-JTQLQIEISA-N 2 2 262.313 -0.607 20 0 CBADLP CCOC(=O)CCNC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001219691318 824879232 /nfs/dbraw/zinc/87/92/32/824879232.db2.gz NKMRFXJUXMQJBB-JOYOIKCWSA-N 2 2 255.318 -0.993 20 0 CBADLP C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]([NH3+])Cc2cccc(O)c2)C1 ZINC001219695527 824880931 /nfs/dbraw/zinc/88/09/31/824880931.db2.gz VWHLQBUVGHSGET-KGLIPLIRSA-N 2 2 293.367 -0.291 20 0 CBADLP C[N@H+]1CCO[C@H](CNC(=O)[C@@H]([NH3+])Cc2cccc(O)c2)C1 ZINC001219695527 824880936 /nfs/dbraw/zinc/88/09/36/824880936.db2.gz VWHLQBUVGHSGET-KGLIPLIRSA-N 2 2 293.367 -0.291 20 0 CBADLP C[NH+](C)CCCC[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC001219694824 824881050 /nfs/dbraw/zinc/88/10/50/824881050.db2.gz MZVMRLNFNSROBN-STQMWFEESA-N 3 2 286.420 -0.508 20 0 CBADLP C[NH+](C)CCCC[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC001219694824 824881058 /nfs/dbraw/zinc/88/10/58/824881058.db2.gz MZVMRLNFNSROBN-STQMWFEESA-N 3 2 286.420 -0.508 20 0 CBADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)NCCC2(O)C[NH2+]C2)cc1 ZINC001219697334 824881324 /nfs/dbraw/zinc/88/13/24/824881324.db2.gz SIGNKRMNXPTXNJ-LBPRGKRZSA-N 3 2 278.356 -0.901 20 0 CBADLP C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]([NH3+])Cc2cccc(O)c2)C1 ZINC001219695529 824881919 /nfs/dbraw/zinc/88/19/19/824881919.db2.gz VWHLQBUVGHSGET-UONOGXRCSA-N 2 2 293.367 -0.291 20 0 CBADLP C[N@H+]1CCO[C@@H](CNC(=O)[C@H]([NH3+])Cc2cccc(O)c2)C1 ZINC001219695529 824881921 /nfs/dbraw/zinc/88/19/21/824881921.db2.gz VWHLQBUVGHSGET-UONOGXRCSA-N 2 2 293.367 -0.291 20 0 CBADLP Nc1nc(=O)c(F)cn1C(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001219741765 824888581 /nfs/dbraw/zinc/88/85/81/824888581.db2.gz SVYHURGFWKLXKI-SNVBAGLBSA-N 2 2 291.286 -0.146 20 0 CBADLP O=C(NC[C@@H]1CCC2(CC[NH2+]CC2)O1)C1(F)C[NH2+]C1 ZINC001219741187 824888717 /nfs/dbraw/zinc/88/87/17/824888717.db2.gz CISBGSIDEMFINI-JTQLQIEISA-N 2 2 271.336 -0.285 20 0 CBADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@]1(F)CCC[NH2+]C1 ZINC001219767716 824891509 /nfs/dbraw/zinc/89/15/09/824891509.db2.gz CRNLDFCRTKPFNG-CMPLNLGQSA-N 3 2 269.324 -0.513 20 0 CBADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NC1CC2(C1)CC[NH2+]CC2 ZINC001219771772 824891741 /nfs/dbraw/zinc/89/17/41/824891741.db2.gz ROIPDVNPSUIEPP-GFCCVEGCSA-N 3 2 277.372 -0.072 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NC[C@@]1(F)CCC[NH2+]C1 ZINC001219768966 824892435 /nfs/dbraw/zinc/89/24/35/824892435.db2.gz RWOQLGVKCMIGBI-WCQYABFASA-N 3 2 283.351 -0.502 20 0 CBADLP COC(=O)[C@@H]([NH3+])CC(=O)NC1CC2(C1)CC[NH2+]CC2 ZINC001219775706 824893471 /nfs/dbraw/zinc/89/34/71/824893471.db2.gz OKHZLWAGLICGOR-JTQLQIEISA-N 2 2 269.345 -0.475 20 0 CBADLP O=C(NC1CC2(C1)CC[NH2+]CC2)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001219773482 824893516 /nfs/dbraw/zinc/89/35/16/824893516.db2.gz UKUVCAOHKSJVAG-XHDPSFHLSA-N 3 2 278.400 -0.414 20 0 CBADLP O=C(N[C@H]1C[NH2+]Cc2ccsc21)[C@@H]1COCC[NH2+]1 ZINC001219826956 824899245 /nfs/dbraw/zinc/89/92/45/824899245.db2.gz XKDAEKPRMXMFAH-UWVGGRQHSA-N 2 2 267.354 -0.003 20 0 CBADLP O=C(N[C@@H]1C[NH2+]Cc2ccsc21)[C@@H]1COCC[NH2+]1 ZINC001219826957 824899753 /nfs/dbraw/zinc/89/97/53/824899753.db2.gz XKDAEKPRMXMFAH-ZJUUUORDSA-N 2 2 267.354 -0.003 20 0 CBADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N[C@@H]1C[NH2+]Cc2ccsc21 ZINC001219823374 824900632 /nfs/dbraw/zinc/90/06/32/824900632.db2.gz PXOGJKDIDJMOTD-JGVFFNPUSA-N 2 2 293.356 -0.908 20 0 CBADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)N[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)cc1 ZINC001219856761 824902613 /nfs/dbraw/zinc/90/26/13/824902613.db2.gz ZWXACVCKDHBJCF-YIYPIFLZSA-N 3 2 290.367 -0.638 20 0 CBADLP O=C(N[C@@H]1c2ccccc2C[C@@H]1O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001219865973 824904630 /nfs/dbraw/zinc/90/46/30/824904630.db2.gz YCTZJFWAAUSOCL-XKNKYKOPSA-N 2 2 287.363 -0.289 20 0 CBADLP CC(C)OC(=O)[C@H](C)NC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001219881005 824907734 /nfs/dbraw/zinc/90/77/34/824907734.db2.gz OLAQNOOLZAUHBU-VIFPVBQESA-N 2 2 257.334 -0.476 20 0 CBADLP CC(C)OC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001219880555 824907921 /nfs/dbraw/zinc/90/79/21/824907921.db2.gz DOJNKJLWTOJEMA-WPRPVWTQSA-N 2 2 268.317 -0.264 20 0 CBADLP CC(C)OC(=O)[C@H](C)NC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001219881141 824907983 /nfs/dbraw/zinc/90/79/83/824907983.db2.gz RFPRKOAHGLMENY-KWBADKCTSA-N 2 2 269.345 -0.606 20 0 CBADLP CC(=O)N1C[C@@H]2C[C@]2(NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)C1 ZINC001219891187 824910336 /nfs/dbraw/zinc/91/03/36/824910336.db2.gz PEIUVQDYAJQYQB-NDMJEZRESA-N 2 2 277.328 -0.984 20 0 CBADLP COc1ccc(CCNC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)cc1O ZINC001219910189 824913686 /nfs/dbraw/zinc/91/36/86/824913686.db2.gz RRGAPKADNXRJSO-MNOVXSKESA-N 2 2 279.340 -0.251 20 0 CBADLP Nc1ccccc1CNC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001219925890 824916246 /nfs/dbraw/zinc/91/62/46/824916246.db2.gz ZWARMPZAUQKLOT-SMDDNHRTSA-N 2 2 260.341 -0.164 20 0 CBADLP CC(C)(C)C(=O)CNC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001219943752 824918253 /nfs/dbraw/zinc/91/82/53/824918253.db2.gz XKMUMDPVDAEZAK-QMTHXVAHSA-N 2 2 267.373 -0.083 20 0 CBADLP CS(=O)(=O)N(C(=O)[C@@H]1COC[NH2+]1)c1ccc(C[NH3+])cc1 ZINC001219938905 824919359 /nfs/dbraw/zinc/91/93/59/824919359.db2.gz ISVFGKGBQYPLNH-NSHDSACASA-N 2 2 299.352 -0.616 20 0 CBADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)N[C@@H]2C=CS(=O)(=O)C2)cc1 ZINC001219945548 824921013 /nfs/dbraw/zinc/92/10/13/824921013.db2.gz MPGRFMYFMJNUFF-VXGBXAGGSA-N 2 2 295.364 -0.314 20 0 CBADLP O=C(NCc1ccc2nonc2c1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001219965092 824924373 /nfs/dbraw/zinc/92/43/73/824924373.db2.gz BHYLLYYAPFYETI-QMTHXVAHSA-N 2 2 287.323 -0.210 20 0 CBADLP O=C(NC[C@H]1CCCCO1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001219978728 824927479 /nfs/dbraw/zinc/92/74/79/824927479.db2.gz RCYPDBQUPRBMBX-WHOHXGKFSA-N 2 2 253.346 -0.378 20 0 CBADLP COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]([C@H]2CC[NH2+]C2)C1 ZINC001219974873 824927489 /nfs/dbraw/zinc/92/74/89/824927489.db2.gz HTSBIKMMIIEGBX-MNOVXSKESA-N 2 2 269.345 -0.651 20 0 CBADLP COC(=O)CNC(=O)[C@@H]1CCC[N@H+]([C@H]2CC[NH2+]C2)C1 ZINC001219974873 824927493 /nfs/dbraw/zinc/92/74/93/824927493.db2.gz HTSBIKMMIIEGBX-MNOVXSKESA-N 2 2 269.345 -0.651 20 0 CBADLP CN1C[C@H](NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)CCC1=O ZINC001220005029 824931565 /nfs/dbraw/zinc/93/15/65/824931565.db2.gz NJZAVNYKTTXRQV-SCZZXKLOSA-N 2 2 265.317 -0.984 20 0 CBADLP CN1C[C@@H](NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)CCC1=O ZINC001220005031 824932419 /nfs/dbraw/zinc/93/24/19/824932419.db2.gz NJZAVNYKTTXRQV-WPRPVWTQSA-N 2 2 265.317 -0.984 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N[C@H]1CCC(=O)N(C)C1 ZINC001220005088 824932456 /nfs/dbraw/zinc/93/24/56/824932456.db2.gz PSIUMYVAYQUGFF-ONGXEEELSA-N 2 2 279.344 -0.973 20 0 CBADLP CCOCC[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001220011475 824934408 /nfs/dbraw/zinc/93/44/08/824934408.db2.gz SNEYZJMPAQVGNR-OLZOCXBDSA-N 2 2 296.371 -0.611 20 0 CBADLP CCOCC[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001220011475 824934416 /nfs/dbraw/zinc/93/44/16/824934416.db2.gz SNEYZJMPAQVGNR-OLZOCXBDSA-N 2 2 296.371 -0.611 20 0 CBADLP C[NH+]1CC(NC(=O)[C@H]([NH3+])CCC(=O)OC(C)(C)C)C1 ZINC001220012878 824934796 /nfs/dbraw/zinc/93/47/96/824934796.db2.gz DFZRPRXPHZWPQM-SNVBAGLBSA-N 2 2 271.361 -0.134 20 0 CBADLP C[NH+]1CC(NC(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C1 ZINC001220013059 824935022 /nfs/dbraw/zinc/93/50/22/824935022.db2.gz HHPUURPTKXRCDQ-LLVKDONJSA-N 3 2 252.362 -0.709 20 0 CBADLP N=c1cc(C[NH3+])ncn1C(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001220020365 824936416 /nfs/dbraw/zinc/93/64/16/824936416.db2.gz GKJCNBFVOPXEOC-GFCCVEGCSA-N 3 2 286.339 -0.532 20 0 CBADLP N=c1sc2c(n1C(=O)C1([NH3+])CC[NH2+]CC1)CC[C@H]([NH3+])C2 ZINC001220022450 824936590 /nfs/dbraw/zinc/93/65/90/824936590.db2.gz HQHZDRVNOCPFES-QMMMGPOBSA-N 3 2 295.412 -0.434 20 0 CBADLP COC(=O)[C@@H]([NH3+])CC(=O)n1c(=N)sc2c1CC[C@H]([NH3+])C2 ZINC001220022802 824936655 /nfs/dbraw/zinc/93/66/55/824936655.db2.gz MCXVIZGGPQHAOT-BQBZGAKWSA-N 2 2 298.368 -0.624 20 0 CBADLP CC(C)(CNC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1)C(N)=O ZINC001220032799 824939079 /nfs/dbraw/zinc/93/90/79/824939079.db2.gz BXDZHIYEZMENBR-LLVKDONJSA-N 2 2 278.356 -0.114 20 0 CBADLP COC(=O)C1(NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)CCCC1 ZINC001220047652 824943553 /nfs/dbraw/zinc/94/35/53/824943553.db2.gz AVECTYOWMRSODU-SNVBAGLBSA-N 2 2 280.328 -0.119 20 0 CBADLP C[NH2+]CCNC(=O)C[C@@H]([NH3+])C(=O)OCc1ccccc1 ZINC001220051211 824944944 /nfs/dbraw/zinc/94/49/44/824944944.db2.gz OOIGXZZYVZKFGY-GFCCVEGCSA-N 2 2 279.340 -0.217 20 0 CBADLP CCCCOC(=O)[C@H](C)NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001220049983 824945387 /nfs/dbraw/zinc/94/53/87/824945387.db2.gz WUDIWSMFNDVVLB-GUBZILKMSA-N 2 2 257.334 -0.619 20 0 CBADLP C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001220061671 824947169 /nfs/dbraw/zinc/94/71/69/824947169.db2.gz BRZYKXOOYCFNAN-AVGNSLFASA-N 3 2 268.405 -0.086 20 0 CBADLP C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001220061671 824947172 /nfs/dbraw/zinc/94/71/72/824947172.db2.gz BRZYKXOOYCFNAN-AVGNSLFASA-N 3 2 268.405 -0.086 20 0 CBADLP C[NH2+]CCNC(=O)c1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC001220057673 824947177 /nfs/dbraw/zinc/94/71/77/824947177.db2.gz VMIYLQZSKYKZEX-UHFFFAOYSA-N 3 2 277.372 -0.217 20 0 CBADLP [NH3+]C1(C(=O)Nc2cc(=O)[nH]c(=O)n2C2CC2)CC[NH2+]CC1 ZINC001220065267 824949001 /nfs/dbraw/zinc/94/90/01/824949001.db2.gz CRHYSVMSOUDMJN-UHFFFAOYSA-N 2 2 293.327 -0.697 20 0 CBADLP Cc1[nH+]c(N)ccc1CNC(=O)[C@@H]1COCC[NH2+]1 ZINC001220071967 824949971 /nfs/dbraw/zinc/94/99/71/824949971.db2.gz YTGJHLNEPARMDQ-JTQLQIEISA-N 2 2 250.302 -0.423 20 0 CBADLP CCOC(=O)C(F)(F)CNC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220097427 824955513 /nfs/dbraw/zinc/95/55/13/824955513.db2.gz YDBYJIDBYLQCDQ-MRVPVSSYSA-N 2 2 290.270 -0.406 20 0 CBADLP COC[C@H](C)[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001220106074 824955737 /nfs/dbraw/zinc/95/57/37/824955737.db2.gz YHSFWLLDOBHLRZ-XQQFMLRXSA-N 2 2 296.371 -0.531 20 0 CBADLP COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001220106074 824955746 /nfs/dbraw/zinc/95/57/46/824955746.db2.gz YHSFWLLDOBHLRZ-XQQFMLRXSA-N 2 2 296.371 -0.531 20 0 CBADLP CCC[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001220105673 824955987 /nfs/dbraw/zinc/95/59/87/824955987.db2.gz GXUWLIDQKCPLGU-NEPJUHHUSA-N 2 2 266.345 -0.156 20 0 CBADLP CCC[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001220105673 824955992 /nfs/dbraw/zinc/95/59/92/824955992.db2.gz GXUWLIDQKCPLGU-NEPJUHHUSA-N 2 2 266.345 -0.156 20 0 CBADLP CCC(CO)(CO)NC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001220111118 824958715 /nfs/dbraw/zinc/95/87/15/824958715.db2.gz KYXARULARAWFEE-GFCCVEGCSA-N 2 2 281.356 -0.492 20 0 CBADLP O=C(NC[C@H](O)c1ccc(O)cc1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220112769 824959139 /nfs/dbraw/zinc/95/91/39/824959139.db2.gz AEMRKMKIBPZBLH-WHOFXGATSA-N 2 2 291.351 -0.507 20 0 CBADLP Cc1cnc(=O)[nH]c1NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220122208 824960786 /nfs/dbraw/zinc/96/07/86/824960786.db2.gz DTRPJCDDKVZNHZ-MRVPVSSYSA-N 2 2 262.273 -0.278 20 0 CBADLP O=C(NCc1cccc(F)n1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220125026 824962384 /nfs/dbraw/zinc/96/23/84/824962384.db2.gz VAQOUOQFCHXDIP-TVQRCGJNSA-N 2 2 264.304 -0.212 20 0 CBADLP O=C(NCCOC(F)(F)F)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220139082 824964829 /nfs/dbraw/zinc/96/48/29/824964829.db2.gz MIMFROFIPAJTFK-BIIVOSGPSA-N 2 2 267.251 -0.411 20 0 CBADLP CCOC(=O)C1=C(NC(=O)C2([NH3+])CC[NH2+]CC2)[C@@H](C)OC1 ZINC001220139962 824965384 /nfs/dbraw/zinc/96/53/84/824965384.db2.gz YSKKUUCKOCFRNF-SECBINFHSA-N 2 2 297.355 -0.581 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001220163641 824974823 /nfs/dbraw/zinc/97/48/23/824974823.db2.gz SKJCOAOHZFSJSD-OWTLIXCDSA-N 3 2 266.389 -0.428 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NC(=N)c1ccc(F)cn1 ZINC001220170563 824976184 /nfs/dbraw/zinc/97/61/84/824976184.db2.gz OEXPITNUBXTIJO-JTQLQIEISA-N 2 2 290.302 -0.034 20 0 CBADLP Cc1ncc(CNC(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)cn1 ZINC001220176636 824978273 /nfs/dbraw/zinc/97/82/73/824978273.db2.gz IYTVJMJTHBKAMI-WCQYABFASA-N 2 2 261.329 -0.647 20 0 CBADLP Cc1ncc(CNC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)cn1 ZINC001220177007 824979245 /nfs/dbraw/zinc/97/92/45/824979245.db2.gz LVDGKGJANFEWHK-SDDRHHMPSA-N 2 2 261.329 -0.649 20 0 CBADLP C[C@H](NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1)c1cncnc1 ZINC001220181638 824981006 /nfs/dbraw/zinc/98/10/06/824981006.db2.gz XGRRTPZJKAIOJA-GZMMTYOYSA-N 2 2 260.301 -0.053 20 0 CBADLP [NH3+]CCSC[C@H]([NH3+])C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC001220188307 824983059 /nfs/dbraw/zinc/98/30/59/824983059.db2.gz AGNKJCDENDZFBC-IUCAKERBSA-N 3 2 296.387 -0.633 20 0 CBADLP N[C@@]1(C(=O)NC[C@H]2CC[NH2+]CC2(F)F)CC[NH2+]C1 ZINC001220189853 824983542 /nfs/dbraw/zinc/98/35/42/824983542.db2.gz WVHUCINPNQXZNB-SCZZXKLOSA-N 2 2 262.304 -0.962 20 0 CBADLP COCCC[NH+]1CCC(NC(=O)C2([NH3+])CC[NH2+]CC2)CC1 ZINC001220200554 824986410 /nfs/dbraw/zinc/98/64/10/824986410.db2.gz NRKJFTXSUJIHBN-UHFFFAOYSA-N 3 2 298.431 -0.316 20 0 CBADLP CC(C)(C)[C@H](CO)NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001220217351 824988123 /nfs/dbraw/zinc/98/81/23/824988123.db2.gz WROAZUSMHSLKTF-DNJQJEMRSA-N 2 2 255.362 -0.269 20 0 CBADLP CN1C[C@H](CNC(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)CC1=O ZINC001220246144 824994532 /nfs/dbraw/zinc/99/45/32/824994532.db2.gz ZLVIBRDOCQLSDP-GXFFZTMASA-N 2 2 290.367 -0.147 20 0 CBADLP C[NH+](C)CC(C)(C)CNC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001220254609 824995653 /nfs/dbraw/zinc/99/56/53/824995653.db2.gz STNISFDDBLEEAH-GYSYKLTISA-N 3 2 268.405 -0.088 20 0 CBADLP C[N@@H+]1CCC[C@@H]1CCNC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220252269 824996436 /nfs/dbraw/zinc/99/64/36/824996436.db2.gz UDWCYASKTATQHN-YRGRVCCFSA-N 3 2 266.389 -0.462 20 0 CBADLP C[N@H+]1CCC[C@@H]1CCNC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220252269 824996440 /nfs/dbraw/zinc/99/64/40/824996440.db2.gz UDWCYASKTATQHN-YRGRVCCFSA-N 3 2 266.389 -0.462 20 0 CBADLP C[NH+](C)CC(C)(C)CNC(=O)[C@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001220254173 824996523 /nfs/dbraw/zinc/99/65/23/824996523.db2.gz LKUZRKJXQAHKEA-CYBMUJFWSA-N 3 2 299.463 -0.559 20 0 CBADLP C[N@H+]1CCC[C@H]1CCNC(=O)[C@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001220254745 824996977 /nfs/dbraw/zinc/99/69/77/824996977.db2.gz VZWZSWMMJBIHAY-UONOGXRCSA-N 3 2 297.447 -0.663 20 0 CBADLP C[N@@H+]1CCC[C@H]1CCNC(=O)[C@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001220254745 824996974 /nfs/dbraw/zinc/99/69/74/824996974.db2.gz VZWZSWMMJBIHAY-UONOGXRCSA-N 3 2 297.447 -0.663 20 0 CBADLP Cc1[nH+]c[nH]c1CSCCNC(=O)[C@H]1[NH2+]CC[C@@H]1O ZINC001220258502 824997788 /nfs/dbraw/zinc/99/77/88/824997788.db2.gz LFGFAZBVPFWHPY-QWRGUYRKSA-N 2 2 284.385 -0.210 20 0 CBADLP Cc1ncc(C[N@H+]2C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C2)o1 ZINC001220276925 825002322 /nfs/dbraw/zinc/00/23/22/825002322.db2.gz NIHBRRQLWXZCIV-OLZOCXBDSA-N 2 2 296.371 -0.404 20 0 CBADLP Cc1ncc(C[N@@H+]2C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C2)o1 ZINC001220276925 825002330 /nfs/dbraw/zinc/00/23/30/825002330.db2.gz NIHBRRQLWXZCIV-OLZOCXBDSA-N 2 2 296.371 -0.404 20 0 CBADLP COCCn1c[nH+]cc1CNC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220274584 825002983 /nfs/dbraw/zinc/00/29/83/825002983.db2.gz JLBDJMSUAKACCJ-LBPRGKRZSA-N 3 2 283.376 -0.398 20 0 CBADLP C[C@H]1[NH2+]CCC[C@H]1C(=O)N[C@@H](CO)Cc1c[nH]c[nH+]1 ZINC001220290629 825006983 /nfs/dbraw/zinc/00/69/83/825006983.db2.gz ARSMPRFRAWPXPQ-YUSALJHKSA-N 2 2 266.345 -0.183 20 0 CBADLP C[C@H]1[NH2+]CCC[C@H]1C(=O)N[C@@H](CO)Cc1c[nH+]c[nH]1 ZINC001220290629 825006988 /nfs/dbraw/zinc/00/69/88/825006988.db2.gz ARSMPRFRAWPXPQ-YUSALJHKSA-N 2 2 266.345 -0.183 20 0 CBADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)NCC2OCCO2)cc1 ZINC001220288711 825007679 /nfs/dbraw/zinc/00/76/79/825007679.db2.gz GXZXAMYBXCQYEW-LLVKDONJSA-N 2 2 265.313 -0.252 20 0 CBADLP O=C(N[C@@H](CO)Cc1c[nH]c[nH+]1)[C@@H]1C[C@@H](F)CC[NH2+]1 ZINC001220290633 825007766 /nfs/dbraw/zinc/00/77/66/825007766.db2.gz AWYCNLXDTDQZOY-GDPRMGEGSA-N 2 2 270.308 -0.481 20 0 CBADLP O=C(N[C@@H](CO)Cc1c[nH+]c[nH]1)[C@@H]1C[C@@H](F)CC[NH2+]1 ZINC001220290633 825007774 /nfs/dbraw/zinc/00/77/74/825007774.db2.gz AWYCNLXDTDQZOY-GDPRMGEGSA-N 2 2 270.308 -0.481 20 0 CBADLP C[C@H]1CC[NH2+][C@@H](C(=O)N[C@@H](CO)Cc2c[nH]c[nH+]2)C1 ZINC001220292058 825008096 /nfs/dbraw/zinc/00/80/96/825008096.db2.gz ZKLWJKZBJSDADP-MVWJERBFSA-N 2 2 266.345 -0.183 20 0 CBADLP C[C@H]1CC[NH2+][C@@H](C(=O)N[C@@H](CO)Cc2c[nH+]c[nH]2)C1 ZINC001220292058 825008100 /nfs/dbraw/zinc/00/81/00/825008100.db2.gz ZKLWJKZBJSDADP-MVWJERBFSA-N 2 2 266.345 -0.183 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NCc1cccc2n[nH]cc21 ZINC001220308052 825009318 /nfs/dbraw/zinc/00/93/18/825009318.db2.gz AZSGJIPBPMKDJK-QWRGUYRKSA-N 2 2 259.313 -0.274 20 0 CBADLP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H]([NH3+])CC[NH3+] ZINC001220332630 825016441 /nfs/dbraw/zinc/01/64/41/825016441.db2.gz NUSZOIDNLHYNNN-RYUDHWBXSA-N 3 2 256.394 -0.101 20 0 CBADLP COc1ccc(CNC(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)nn1 ZINC001220342946 825018572 /nfs/dbraw/zinc/01/85/72/825018572.db2.gz BQSFGLAIUSLGJP-RNCFNFMXSA-N 2 2 277.328 -0.947 20 0 CBADLP C[C@H](NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)c1cnccn1 ZINC001220368430 825020934 /nfs/dbraw/zinc/02/09/34/825020934.db2.gz DXZDWIWUTLMDLR-QFOLPQNPSA-N 2 2 261.329 -0.396 20 0 CBADLP [NH3+]Cc1ccc2c(n1)N(C(=O)[C@@H]1COC[NH2+]1)CCC2 ZINC001220376919 825023254 /nfs/dbraw/zinc/02/32/54/825023254.db2.gz DDKGZLRIMBYJDL-NSHDSACASA-N 2 2 262.313 -0.235 20 0 CBADLP C[NH+](C)CCC(C)(C)NC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220385924 825026412 /nfs/dbraw/zinc/02/64/12/825026412.db2.gz DKLRFXIHNAKHNC-FZMZJTMJSA-N 3 2 268.405 -0.216 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NCC12CC[NH+](CC1)CC2 ZINC001220394309 825028072 /nfs/dbraw/zinc/02/80/72/825028072.db2.gz DQWRBTOFYJKJMG-ZDUSSCGKSA-N 3 2 291.399 -0.108 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NCC12CC[NH+](CC1)CC2 ZINC001220395124 825028242 /nfs/dbraw/zinc/02/82/42/825028242.db2.gz WZQFDJRPPVTKIN-QWRGUYRKSA-N 3 2 252.362 -0.865 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCc2cccnc2N2CCCC2)C1 ZINC001220399076 825029722 /nfs/dbraw/zinc/02/97/22/825029722.db2.gz YOZWMZOAXXRYIW-OLZOCXBDSA-N 2 2 289.383 -0.013 20 0 CBADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1ncc(Br)[nH]c1=O ZINC001220398679 825030028 /nfs/dbraw/zinc/03/00/28/825030028.db2.gz IKJTYNVXORUXON-BYPYZUCNSA-N 2 2 290.121 -0.853 20 0 CBADLP COc1ccc(CCNC(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)nc1 ZINC001220396629 825030049 /nfs/dbraw/zinc/03/00/49/825030049.db2.gz FYIJEFKCYGEOEN-IAQYHMDHSA-N 2 2 290.367 -0.300 20 0 CBADLP COC(=O)[C@@H]1CC[C@@H](NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)C1 ZINC001220405789 825031292 /nfs/dbraw/zinc/03/12/92/825031292.db2.gz DDKIQXAYZHJQBJ-GIBVNIFISA-N 2 2 281.356 -0.334 20 0 CBADLP COC(=O)[C@@H]1CC[C@H](NC(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)C1 ZINC001220406697 825032660 /nfs/dbraw/zinc/03/26/60/825032660.db2.gz VXSKTLDYEFAOHJ-YAMSLAJTSA-N 2 2 281.356 -0.604 20 0 CBADLP COC(=O)[C@@H]1CC[C@H](NC(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)C1 ZINC001220406698 825032926 /nfs/dbraw/zinc/03/29/26/825032926.db2.gz VXSKTLDYEFAOHJ-ZHPDPMBESA-N 2 2 281.356 -0.604 20 0 CBADLP [NH3+]C1(C(=O)N[C@@H](CO)C(F)(F)F)CC[NH2+]CC1 ZINC001220447073 825041569 /nfs/dbraw/zinc/04/15/69/825041569.db2.gz CFLLHZYFCLBNKP-LURJTMIESA-N 2 2 255.240 -0.893 20 0 CBADLP CC(C)NC(=O)[C@@H](NC(=O)C[NH2+]C1CC[NH2+]CC1)C(C)C ZINC001220462901 825044810 /nfs/dbraw/zinc/04/48/10/825044810.db2.gz SLCKELICUHCSSN-AWEZNQCLSA-N 2 2 298.431 -0.007 20 0 CBADLP O=C(C[NH2+]C1CC[NH2+]CC1)Nc1[nH]c(=O)nc2nc[nH]c21 ZINC001220471500 825046208 /nfs/dbraw/zinc/04/62/08/825046208.db2.gz QFHBZJJFLHOXFJ-UHFFFAOYSA-N 2 2 291.315 -0.661 20 0 CBADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC1([NH3+])CCCC1 ZINC001220494608 825049891 /nfs/dbraw/zinc/04/98/91/825049891.db2.gz PISNCBSIJNIJKK-JTQLQIEISA-N 3 2 251.334 -0.333 20 0 CBADLP COC(C)(CNC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2)OC ZINC001220509080 825052276 /nfs/dbraw/zinc/05/22/76/825052276.db2.gz JVXJFYFBJIXLSX-JOYOIKCWSA-N 2 2 257.334 -0.937 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCc2cccc3ccnn32)C1 ZINC001220553283 825061461 /nfs/dbraw/zinc/06/14/61/825061461.db2.gz JKXCXGFZTOVDBL-SKDRFNHKSA-N 2 2 259.313 -0.360 20 0 CBADLP O=C(NCc1cccc2ccnn21)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220554033 825062505 /nfs/dbraw/zinc/06/25/05/825062505.db2.gz XXNRUONKACMXAB-IAQYHMDHSA-N 2 2 285.351 -0.098 20 0 CBADLP C[C@@H]1COCC[C@@H]1NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220565987 825063119 /nfs/dbraw/zinc/06/31/19/825063119.db2.gz WMTFJVDDQGIFGS-IEBDPFPHSA-N 2 2 252.318 -0.179 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NCC(F)(F)c1ccccn1 ZINC001220571670 825067060 /nfs/dbraw/zinc/06/70/60/825067060.db2.gz WZVHXWRQUUOZEU-IUCAKERBSA-N 2 2 270.283 -0.164 20 0 CBADLP COC(=O)[C@H](NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2)C(F)(F)F ZINC001220587351 825071436 /nfs/dbraw/zinc/07/14/36/825071436.db2.gz AYWUXNRVGHQADF-JQCUSGDOSA-N 2 2 295.261 -0.572 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N[C@@H]1CNc2ccccc2C1 ZINC001220601157 825074863 /nfs/dbraw/zinc/07/48/63/825074863.db2.gz DQZSUHHPTQPJCX-SRVKXCTJSA-N 2 2 260.341 -0.314 20 0 CBADLP Cn1nc(CNC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)c2ccccc21 ZINC001220631343 825078460 /nfs/dbraw/zinc/07/84/60/825078460.db2.gz DOXSOPABMITMRE-KOLCDFICSA-N 2 2 273.340 -0.121 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N[C@H]1COCc2ccccc21 ZINC001220657456 825079533 /nfs/dbraw/zinc/07/95/33/825079533.db2.gz FVMKMXYHFCXJMQ-AVGNSLFASA-N 2 2 261.325 -0.079 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001220680740 825084131 /nfs/dbraw/zinc/08/41/31/825084131.db2.gz PKGRKZJAUYEPCI-KNZXXDILSA-N 3 2 252.362 -0.678 20 0 CBADLP O=C(N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220678867 825085667 /nfs/dbraw/zinc/08/56/67/825085667.db2.gz OPNRWLBMLFKNHY-DGMCESFYSA-N 3 2 278.400 -0.273 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCc2cc(-c3ccncc3)n[nH]2)C1 ZINC001220695156 825086347 /nfs/dbraw/zinc/08/63/47/825086347.db2.gz SRSBJUKDPWKTSG-MFKMUULPSA-N 2 2 286.339 -0.223 20 0 CBADLP O=C(NCC1Oc2ccccc2O1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220709017 825089662 /nfs/dbraw/zinc/08/96/62/825089662.db2.gz PISUINUATRHNCV-MEBBXXQBSA-N 2 2 289.335 -0.148 20 0 CBADLP Nc1ncc(CCNC(=O)C2([NH3+])CC[NH2+]CC2)s1 ZINC001220704735 825089680 /nfs/dbraw/zinc/08/96/80/825089680.db2.gz UVGHUCINHDCYAI-UHFFFAOYSA-N 2 2 269.374 -0.535 20 0 CBADLP O=C(NCC1Oc2ccccc2O1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220709016 825090102 /nfs/dbraw/zinc/09/01/02/825090102.db2.gz PISUINUATRHNCV-BONVTDFDSA-N 2 2 289.335 -0.148 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001220725526 825093018 /nfs/dbraw/zinc/09/30/18/825093018.db2.gz TWNDKRRVOBPBHD-STQMWFEESA-N 3 2 286.420 -0.330 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001220725526 825093022 /nfs/dbraw/zinc/09/30/22/825093022.db2.gz TWNDKRRVOBPBHD-STQMWFEESA-N 3 2 286.420 -0.330 20 0 CBADLP C[C@@H]1COCCN1CCNC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001220725196 825093133 /nfs/dbraw/zinc/09/31/33/825093133.db2.gz NXDREOMOFVHWTQ-BYNQJWBRSA-N 2 2 282.388 -0.955 20 0 CBADLP CC(=O)NC[C@H](C)CNC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001220756317 825095328 /nfs/dbraw/zinc/09/53/28/825095328.db2.gz AYSYGQMXRKQUJL-CABZTGNLSA-N 2 2 281.360 -0.822 20 0 CBADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)C1CC[NH2+]CC1 ZINC001220769045 825099222 /nfs/dbraw/zinc/09/92/22/825099222.db2.gz HIXHHRIYHFXYKO-GFCCVEGCSA-N 2 2 294.355 -0.380 20 0 CBADLP CC1(C)[C@@H](O)C[C@@H]1NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001220766999 825099562 /nfs/dbraw/zinc/09/95/62/825099562.db2.gz ZJOUBMSHRACUJB-NKGMTQDZSA-N 2 2 253.346 -0.516 20 0 CBADLP CC1(C)[C@H](O)C[C@@H]1NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220765778 825099977 /nfs/dbraw/zinc/09/99/77/825099977.db2.gz FCIWZGXQBJAKLB-QUARPLMYSA-N 2 2 253.346 -0.788 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N[C@H]1C[C@@H](O)C1(C)C ZINC001220765685 825100154 /nfs/dbraw/zinc/10/01/54/825100154.db2.gz CMFBRQHVUVPZJI-GARJFASQSA-N 2 2 266.345 -0.435 20 0 CBADLP [NH3+][C@@]12CC[C@@](NC(=O)C3([NH3+])CC[NH2+]CC3)(C1)CCC2 ZINC001220778623 825101606 /nfs/dbraw/zinc/10/16/06/825101606.db2.gz AALSTMMDWBDSQO-QWHCGFSZSA-N 3 2 266.389 -0.012 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NC[C@H]1CC[NH2+][C@H]1c1cccnc1 ZINC001220789072 825102798 /nfs/dbraw/zinc/10/27/98/825102798.db2.gz JAFHXVZGWHOQCK-RFGFWPKPSA-N 3 2 289.383 -0.605 20 0 CBADLP COC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001220799601 825103302 /nfs/dbraw/zinc/10/33/02/825103302.db2.gz DEWONZFHDGOZJB-CSMHCCOUSA-N 2 2 297.277 -0.467 20 0 CBADLP CCOC(=O)C1(NC(=O)c2cnc([C@H](C)[NH3+])s2)C[NH2+]C1 ZINC001220853333 825111623 /nfs/dbraw/zinc/11/16/23/825111623.db2.gz WKJDBFURBUNCOM-ZETCQYMHSA-N 2 2 298.368 -0.202 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NCCO[C@@H]1CCCCO1 ZINC001220861765 825113243 /nfs/dbraw/zinc/11/32/43/825113243.db2.gz DGVCLXTWCILPFX-QWHCGFSZSA-N 2 2 296.371 -0.051 20 0 CBADLP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220857756 825113607 /nfs/dbraw/zinc/11/36/07/825113607.db2.gz QNJUIWFUWZSNCP-NRUUGDAUSA-N 3 2 254.378 -0.573 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCc2cc3ccncc3[nH]2)C1 ZINC001220868482 825116399 /nfs/dbraw/zinc/11/63/99/825116399.db2.gz KWIOKHOFLRZRMP-KOLCDFICSA-N 2 2 259.313 -0.132 20 0 CBADLP COc1cncc(CNC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)c1 ZINC001220871117 825117188 /nfs/dbraw/zinc/11/71/88/825117188.db2.gz TYRCDYAQNKZFTH-GFCCVEGCSA-N 2 2 275.312 -0.001 20 0 CBADLP CCC[C@@H](CCO)NC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220868776 825117220 /nfs/dbraw/zinc/11/72/20/825117220.db2.gz UCVJEXFBJMUOJK-GVXVVHGQSA-N 2 2 255.362 -0.395 20 0 CBADLP C[C@H]([NH3+])c1ncc(C(=O)NCCN2CC[NH2+]CC2=O)s1 ZINC001220874625 825118842 /nfs/dbraw/zinc/11/88/42/825118842.db2.gz JPSKCBGKXHRTMR-QMMMGPOBSA-N 2 2 297.384 -0.676 20 0 CBADLP COC(=O)[C@@H]1C[C@@H]1CNC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220881981 825119883 /nfs/dbraw/zinc/11/98/83/825119883.db2.gz QRKISORNUQERIU-SZEHBUNVSA-N 2 2 266.301 -0.795 20 0 CBADLP COC(=O)[C@@H]1C[C@H](C(=O)N[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001220887282 825120888 /nfs/dbraw/zinc/12/08/88/825120888.db2.gz YYPAQMIRRPVJRS-MXWKQRLJSA-N 2 2 269.345 -0.604 20 0 CBADLP Cc1noc(C2(NC(=O)[C@H]([NH3+])Cc3c[nH+]c[nH]3)CC2)n1 ZINC001220932354 825125766 /nfs/dbraw/zinc/12/57/66/825125766.db2.gz KUZQTVOXRZVODX-SECBINFHSA-N 2 2 276.300 -0.224 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N[C@@H]1CCCc2nccnc21 ZINC001220950741 825127300 /nfs/dbraw/zinc/12/73/00/825127300.db2.gz FCOYPPFUFVNCGH-ATZCPNFKSA-N 2 2 261.329 -0.483 20 0 CBADLP O=C(N[C@@H]1CCCc2nccnc21)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220949203 825127506 /nfs/dbraw/zinc/12/75/06/825127506.db2.gz UPZKAVYKHVNBOY-JVLSTEMRSA-N 2 2 287.367 -0.078 20 0 CBADLP O=C(N[C@@H]1CCCc2nccnc21)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220949204 825127581 /nfs/dbraw/zinc/12/75/81/825127581.db2.gz UPZKAVYKHVNBOY-NVBFEUDRSA-N 2 2 287.367 -0.078 20 0 CBADLP Nc1ccc([C@H](CCO)NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)cc1 ZINC001220955905 825128677 /nfs/dbraw/zinc/12/86/77/825128677.db2.gz RKXYBQGTNRCVCV-AGIUHOORSA-N 2 2 278.356 -0.502 20 0 CBADLP COc1ccc(CNC(=O)C2([NH3+])CC[NH2+]CC2)nc1OC ZINC001220956169 825129256 /nfs/dbraw/zinc/12/92/56/825129256.db2.gz WGBXNLLWGCMAAZ-UHFFFAOYSA-N 2 2 294.355 -0.204 20 0 CBADLP [NH3+]C1(C(=O)NCC2(c3cnccn3)CC2)CC[NH2+]CC1 ZINC001220992307 825132529 /nfs/dbraw/zinc/13/25/29/825132529.db2.gz LNEYHUCLCCERSM-UHFFFAOYSA-N 2 2 275.356 -0.295 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NCC1(c2cnccn2)CC1 ZINC001220993069 825133956 /nfs/dbraw/zinc/13/39/56/825133956.db2.gz ZSNKPQUVBZYMMH-UWVGGRQHSA-N 2 2 261.329 -0.829 20 0 CBADLP C[C@@H]1C[C@@H](NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)CCO1 ZINC001221007814 825133975 /nfs/dbraw/zinc/13/39/75/825133975.db2.gz DJGYYCLSMILKFM-YWVKMMECSA-N 2 2 252.318 -0.037 20 0 CBADLP C[C@@H]1C[C@H](NC(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)CCO1 ZINC001221008273 825136076 /nfs/dbraw/zinc/13/60/76/825136076.db2.gz PDWOOVKWUAMAFM-XZUYRWCXSA-N 2 2 253.346 -0.378 20 0 CBADLP C[C@@H]1C[C@H](NC(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)CCO1 ZINC001221008271 825136308 /nfs/dbraw/zinc/13/63/08/825136308.db2.gz PDWOOVKWUAMAFM-PRULPYPASA-N 2 2 253.346 -0.378 20 0 CBADLP [NH3+]CC[C@H]([NH3+])C(=O)N(CC[NH3+])c1ccc(F)cc1 ZINC001221060856 825140415 /nfs/dbraw/zinc/14/04/15/825140415.db2.gz RCSUVRZKZKVMGF-NSHDSACASA-N 3 2 254.309 -0.207 20 0 CBADLP COC(=O)c1ccc(CNC(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)[nH]1 ZINC001221079893 825141356 /nfs/dbraw/zinc/14/13/56/825141356.db2.gz NJUMMZOHHRIYEH-OTYXRUKQSA-N 2 2 292.339 -0.631 20 0 CBADLP CCOc1cccc(CNC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])n1 ZINC001221065756 825141376 /nfs/dbraw/zinc/14/13/76/825141376.db2.gz TTXHKYGGUYGDOX-QWRGUYRKSA-N 2 2 264.329 -0.357 20 0 CBADLP COC(=O)c1ccc(CNC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)[nH]1 ZINC001221079450 825141502 /nfs/dbraw/zinc/14/15/02/825141502.db2.gz AGZGEVSUINCRBM-SNVBAGLBSA-N 2 2 291.311 -0.289 20 0 CBADLP Cc1nccnc1CNC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001221104254 825143414 /nfs/dbraw/zinc/14/34/14/825143414.db2.gz ZYCWUCGLCYOVJT-GWCFXTLKSA-N 2 2 261.329 -0.647 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NCc1ccn(CC(F)(F)F)n1 ZINC001221108071 825145489 /nfs/dbraw/zinc/14/54/89/825145489.db2.gz NTIFSSMBJRFHSW-IUCAKERBSA-N 2 2 291.277 -0.392 20 0 CBADLP CC(C)(C)[NH+]1CC(NC(=O)[C@@]23CC[C@@H](N2)[C@H]([NH3+])C3)C1 ZINC001221193672 825153131 /nfs/dbraw/zinc/15/31/31/825153131.db2.gz DUZFKTVFXMASTA-GYSYKLTISA-N 2 2 266.389 -0.193 20 0 CBADLP [NH3+]C1(C(=O)NCc2nc3cc[nH]cc-3n2)CC[NH2+]CC1 ZINC001221193560 825152958 /nfs/dbraw/zinc/15/29/58/825152958.db2.gz CAPZGUSQKQDTFY-UHFFFAOYSA-N 2 2 274.328 -0.345 20 0 CBADLP COC(=O)[C@@](C)(NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])C(F)(F)F ZINC001221221853 825157249 /nfs/dbraw/zinc/15/72/49/825157249.db2.gz ZQQOESULRFMRFJ-ATVXKPNKSA-N 2 2 283.250 -0.857 20 0 CBADLP C[N@@H+]1CCC[C@@](C)(NC(=O)[C@@H]([NH3+])Cc2c[nH]cn2)C1 ZINC001221241090 825157985 /nfs/dbraw/zinc/15/79/85/825157985.db2.gz NJWJLPNQMVSITE-WCQYABFASA-N 2 2 265.361 -0.120 20 0 CBADLP C[N@H+]1CCC[C@@](C)(NC(=O)[C@@H]([NH3+])Cc2c[nH]cn2)C1 ZINC001221241090 825157990 /nfs/dbraw/zinc/15/79/90/825157990.db2.gz NJWJLPNQMVSITE-WCQYABFASA-N 2 2 265.361 -0.120 20 0 CBADLP C[N@@H+]1CCC[C@](C)(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)C1 ZINC001221241068 825159255 /nfs/dbraw/zinc/15/92/55/825159255.db2.gz MXVWQWCULAAJRX-RFHZTLPTSA-N 3 2 266.389 -0.191 20 0 CBADLP C[N@H+]1CCC[C@](C)(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)C1 ZINC001221241068 825159259 /nfs/dbraw/zinc/15/92/59/825159259.db2.gz MXVWQWCULAAJRX-RFHZTLPTSA-N 3 2 266.389 -0.191 20 0 CBADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCOC[C@@H]1F ZINC001221244240 825159855 /nfs/dbraw/zinc/15/98/55/825159855.db2.gz TXJSEBHESVMDTA-LPEHRKFASA-N 2 2 256.281 -0.477 20 0 CBADLP CC(C)(O)[C@H](F)CNC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001221260639 825163500 /nfs/dbraw/zinc/16/35/00/825163500.db2.gz UFZBMJRWKBAWAQ-KBVBSXBZSA-N 2 2 259.325 -0.837 20 0 CBADLP CCOC(=O)/C=C(/NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2)OCC ZINC001221262810 825163681 /nfs/dbraw/zinc/16/36/81/825163681.db2.gz QEISUKOGQIDOKB-BJBJXSEOSA-N 2 2 297.355 -0.235 20 0 CBADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)NCCCCCO ZINC001221285499 825167121 /nfs/dbraw/zinc/16/71/21/825167121.db2.gz PSFGAWCMMAMXCO-GFCCVEGCSA-N 2 2 272.393 -0.984 20 0 CBADLP O=C(N[C@H]1CCC[C@H]1CO)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001221306573 825168119 /nfs/dbraw/zinc/16/81/19/825168119.db2.gz VAAPLYNHCDOZHL-ZPFDUUQYSA-N 2 2 253.346 -0.785 20 0 CBADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1cnn(-c2ccccc2)c(=O)c1 ZINC001221328664 825170862 /nfs/dbraw/zinc/17/08/62/825170862.db2.gz DRQVHPVOXQBVFE-LBPRGKRZSA-N 2 2 287.323 -0.153 20 0 CBADLP COc1cnccc1CCNC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001221336262 825173888 /nfs/dbraw/zinc/17/38/88/825173888.db2.gz LWZJXTWQVLIUCH-JMSVASOKSA-N 2 2 290.367 -0.029 20 0 CBADLP CC(C)(C)[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001221356987 825176547 /nfs/dbraw/zinc/17/65/47/825176547.db2.gz FEACNCYJANKRAH-JHJVBQTASA-N 2 2 299.415 -0.428 20 0 CBADLP CCCC(C[NH3+])(CCC)NC(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001221370175 825178100 /nfs/dbraw/zinc/17/81/00/825178100.db2.gz SALGYRAWYUFYGB-VIFPVBQESA-N 2 2 283.380 -0.517 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCCCC(=O)c2cccnc2)C1 ZINC001221394033 825181255 /nfs/dbraw/zinc/18/12/55/825181255.db2.gz GTVABKHGEQYNJF-NEPJUHHUSA-N 2 2 276.340 -0.150 20 0 CBADLP O=C(CN1CC[NH2+]CC1)NCCOc1cc[nH+]cc1 ZINC001221393617 825181362 /nfs/dbraw/zinc/18/13/62/825181362.db2.gz JPNSNBUMQDHFTI-UHFFFAOYSA-N 2 2 264.329 -0.518 20 0 CBADLP [NH3+]CCC[C@H]([NH3+])C(=O)NCCOc1cc[nH+]cc1 ZINC001221394244 825181665 /nfs/dbraw/zinc/18/16/65/825181665.db2.gz YHEGMELJZZTMOD-NSHDSACASA-N 3 2 252.318 -0.357 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N[C@]1(C)CCCOC1 ZINC001221402994 825182340 /nfs/dbraw/zinc/18/23/40/825182340.db2.gz OMRBRZMSAFIEHV-WCQYABFASA-N 2 2 266.345 -0.025 20 0 CBADLP Cc1nc(CNC(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)n[nH]1 ZINC001221406553 825184219 /nfs/dbraw/zinc/18/42/19/825184219.db2.gz GKKPKBXYGBKDJP-SNVBAGLBSA-N 2 2 278.360 -0.396 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001222097860 825200712 /nfs/dbraw/zinc/20/07/12/825200712.db2.gz IBMBDKAAMUYAFS-NEPJUHHUSA-N 2 2 293.371 -0.402 20 0 CBADLP Nc1nccnc1CN1CC[NH2+]C2(CC[NH2+]CC2)C1 ZINC001222095752 825200928 /nfs/dbraw/zinc/20/09/28/825200928.db2.gz YYZREQCXQOAWTD-UHFFFAOYSA-N 2 2 262.361 -0.414 20 0 CBADLP COC[C@@H](O)C[NH2+][C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001222098767 825201365 /nfs/dbraw/zinc/20/13/65/825201365.db2.gz PPGDFXCJPDDQSX-STQMWFEESA-N 2 2 296.371 -0.529 20 0 CBADLP Cn1nncc1CN1CC[NH2+]C2(CC[NH2+]CC2)C1 ZINC001222104871 825201506 /nfs/dbraw/zinc/20/15/06/825201506.db2.gz OSUAMADFPKMEFO-UHFFFAOYSA-N 2 2 250.350 -0.658 20 0 CBADLP C(CN1CC[NH2+][C@H]2CC[NH2+]CC[C@@H]21)[C@H]1C[NH2+]CCO1 ZINC001222491534 825213129 /nfs/dbraw/zinc/21/31/29/825213129.db2.gz DPLXAPTUDUKJJV-IHRRRGAJSA-N 3 2 268.405 -0.609 20 0 CBADLP C[N@@H+]1[C@@H]2C[C@H](OCC(=O)N3CC[NH+](C)CC3)[C@H]1CC(=O)C2 ZINC001222537041 825213878 /nfs/dbraw/zinc/21/38/78/825213878.db2.gz NGMNYXRSHGTICN-YUTCNCBUSA-N 2 2 295.383 -0.419 20 0 CBADLP C[N@H+]1[C@@H]2C[C@H](OCC(=O)N3CC[NH+](C)CC3)[C@H]1CC(=O)C2 ZINC001222537041 825213884 /nfs/dbraw/zinc/21/38/84/825213884.db2.gz NGMNYXRSHGTICN-YUTCNCBUSA-N 2 2 295.383 -0.419 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)OCCN1CC[NH+](C)CC1 ZINC001224553365 825242989 /nfs/dbraw/zinc/24/29/89/825242989.db2.gz YKIIBAVVLLBGCO-CQSZACIVSA-N 2 2 271.405 -0.029 20 0 CBADLP NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001227839858 825310847 /nfs/dbraw/zinc/31/08/47/825310847.db2.gz LUBQLHBEGUVLMA-VXGBXAGGSA-N 2 2 293.371 -0.225 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CCC(NC(=O)CCn2cc[nH+]c2)CC1 ZINC001228516201 825319444 /nfs/dbraw/zinc/31/94/44/825319444.db2.gz HZOKGRJXZCZGAA-LLVKDONJSA-N 2 2 293.371 -0.272 20 0 CBADLP CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001229301748 825330056 /nfs/dbraw/zinc/33/00/56/825330056.db2.gz WJORMMCNUZZEJW-GHMZBOCLSA-N 2 2 293.371 -0.285 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC1CC[NH+](CCOCCO)CC1 ZINC001230438392 825348104 /nfs/dbraw/zinc/34/81/04/825348104.db2.gz NERSFGVHYFITRX-UHFFFAOYSA-N 2 2 296.371 -0.527 20 0 CBADLP C(C[N@@H+]1CCN2CC[NH2+]C[C@@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC001234974502 825478835 /nfs/dbraw/zinc/47/88/35/825478835.db2.gz KXEHWHNHQOGADS-UONOGXRCSA-N 3 2 252.406 -0.035 20 0 CBADLP C(C[N@H+]1CCN2CC[NH2+]C[C@@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC001234974502 825478838 /nfs/dbraw/zinc/47/88/38/825478838.db2.gz KXEHWHNHQOGADS-UONOGXRCSA-N 3 2 252.406 -0.035 20 0 CBADLP c1c(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)nc2n1CC[NH2+]C2 ZINC001234979364 825480939 /nfs/dbraw/zinc/48/09/39/825480939.db2.gz CRSJGQCIUUAIBA-AWEZNQCLSA-N 3 2 276.388 -0.876 20 0 CBADLP [NH3+]CCCC[N@H+]1CC[NH2+]C[C@@]2(CCCC(=O)N2)C1 ZINC001235173701 825486331 /nfs/dbraw/zinc/48/63/31/825486331.db2.gz DJRWKLQDHBBNOM-ZDUSSCGKSA-N 3 2 254.378 -0.331 20 0 CBADLP [NH3+]CCCC[N@@H+]1CC[NH2+]C[C@@]2(CCCC(=O)N2)C1 ZINC001235173701 825486324 /nfs/dbraw/zinc/48/63/24/825486324.db2.gz DJRWKLQDHBBNOM-ZDUSSCGKSA-N 3 2 254.378 -0.331 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@@H]1CN(C)C(=O)C[NH+](C)C1CCC1 ZINC001235395936 825494389 /nfs/dbraw/zinc/49/43/89/825494389.db2.gz YYGUWEUVYLWJPX-WCQYABFASA-N 2 2 296.415 -0.123 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CC[C@@H]1CN(C)C(=O)C[NH+](C)C1CCC1 ZINC001235395936 825494396 /nfs/dbraw/zinc/49/43/96/825494396.db2.gz YYGUWEUVYLWJPX-WCQYABFASA-N 2 2 296.415 -0.123 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CC[C@@H]1CN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001235395936 825494400 /nfs/dbraw/zinc/49/44/00/825494400.db2.gz YYGUWEUVYLWJPX-WCQYABFASA-N 2 2 296.415 -0.123 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CC[C@@H]1CN(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001235395936 825494405 /nfs/dbraw/zinc/49/44/05/825494405.db2.gz YYGUWEUVYLWJPX-WCQYABFASA-N 2 2 296.415 -0.123 20 0 CBADLP [NH3+]CC[N@@H+]1C[C@@H]2COC[C@@H](C(=O)Nc3cnccn3)[C@@H]2C1 ZINC001235468834 825496201 /nfs/dbraw/zinc/49/62/01/825496201.db2.gz DXQAIYBYSFDXCK-IJLUTSLNSA-N 2 2 291.355 -0.432 20 0 CBADLP [NH3+]CC[N@H+]1C[C@@H]2COC[C@@H](C(=O)Nc3cnccn3)[C@@H]2C1 ZINC001235468834 825496209 /nfs/dbraw/zinc/49/62/09/825496209.db2.gz DXQAIYBYSFDXCK-IJLUTSLNSA-N 2 2 291.355 -0.432 20 0 CBADLP CNC(=O)CO[C@@H]1CO[C@@]2(C1)CCC[N@H+](C[C@@H](C)[NH3+])C2 ZINC001235517678 825499990 /nfs/dbraw/zinc/49/99/90/825499990.db2.gz PYZGWJBDFDOYOX-MBNYWOFBSA-N 2 2 285.388 -0.280 20 0 CBADLP CNC(=O)CO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](C[C@@H](C)[NH3+])C2 ZINC001235517678 825499994 /nfs/dbraw/zinc/49/99/94/825499994.db2.gz PYZGWJBDFDOYOX-MBNYWOFBSA-N 2 2 285.388 -0.280 20 0 CBADLP CN(C)C(=O)C[N@@H+]1CCOCC2(CC[NH+](CC[NH3+])CC2)C1 ZINC001235580940 825504512 /nfs/dbraw/zinc/50/45/12/825504512.db2.gz NMXAMMVOZSYCQD-UHFFFAOYSA-N 3 2 298.431 -0.552 20 0 CBADLP CN(C)C(=O)C[N@H+]1CCOCC2(CC[NH+](CC[NH3+])CC2)C1 ZINC001235580940 825504521 /nfs/dbraw/zinc/50/45/21/825504521.db2.gz NMXAMMVOZSYCQD-UHFFFAOYSA-N 3 2 298.431 -0.552 20 0 CBADLP [NH3+]CC[N@@H+]1C[C@@H]2COC[C@]2(CC(=O)NCC2CC2)C1 ZINC001235591915 825505133 /nfs/dbraw/zinc/50/51/33/825505133.db2.gz NSRCOJBSAARLKO-OCCSQVGLSA-N 2 2 267.373 -0.190 20 0 CBADLP [NH3+]CC[N@H+]1C[C@@H]2COC[C@]2(CC(=O)NCC2CC2)C1 ZINC001235591915 825505140 /nfs/dbraw/zinc/50/51/40/825505140.db2.gz NSRCOJBSAARLKO-OCCSQVGLSA-N 2 2 267.373 -0.190 20 0 CBADLP [NH3+]CC[N@@H+]1C[C@@H]2COC[C@H](C(=O)N3CCCO3)[C@@H]2C1 ZINC001235595184 825507066 /nfs/dbraw/zinc/50/70/66/825507066.db2.gz BAZXLSYQUPEDAZ-UTUOFQBUSA-N 2 2 269.345 -0.697 20 0 CBADLP [NH3+]CC[N@H+]1C[C@@H]2COC[C@H](C(=O)N3CCCO3)[C@@H]2C1 ZINC001235595184 825507068 /nfs/dbraw/zinc/50/70/68/825507068.db2.gz BAZXLSYQUPEDAZ-UTUOFQBUSA-N 2 2 269.345 -0.697 20 0 CBADLP Cn1c[nH+]cc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235871073 825516824 /nfs/dbraw/zinc/51/68/24/825516824.db2.gz SHAHWALKEANAIR-UHFFFAOYSA-N 3 2 266.393 -0.996 20 0 CBADLP [NH3+]CCN1CC([NH+]2CCN(c3ccccn3)CC2)C1 ZINC001236038219 825520694 /nfs/dbraw/zinc/52/06/94/825520694.db2.gz OUBBYGHVUNJPCC-UHFFFAOYSA-N 2 2 261.373 -0.154 20 0 CBADLP COC(=O)[C@@H]1C[NH2+]CCN1Cc1cccc(N)[nH+]1 ZINC001236057068 825523013 /nfs/dbraw/zinc/52/30/13/825523013.db2.gz YZCXYCHILKQQIJ-JTQLQIEISA-N 2 2 250.302 -0.389 20 0 CBADLP CC1(C)[NH2+]C[C@@H](C[NH+]2CCC3(CNC(=O)N3)CC2)O1 ZINC001236229794 825525127 /nfs/dbraw/zinc/52/51/27/825525127.db2.gz OTPCEMWGZAEMQR-JTQLQIEISA-N 2 2 268.361 -0.142 20 0 CBADLP COC(=O)[C@H]1CN(Cc2cccc(N)[nH+]2)C[C@@H]1[NH3+] ZINC001236353762 825530547 /nfs/dbraw/zinc/53/05/47/825530547.db2.gz NLHDDEFMHYLSSN-UWVGGRQHSA-N 2 2 250.302 -0.404 20 0 CBADLP CCn1c[nH+]cc1CN1C[C@@H](C(=O)OC)[C@H]([NH3+])C1 ZINC001236350924 825531155 /nfs/dbraw/zinc/53/11/55/825531155.db2.gz KUEDQNCBAZUHCU-GHMZBOCLSA-N 2 2 252.318 -0.165 20 0 CBADLP [NH3+]CCS(=O)(=O)NC1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC001238277466 825550773 /nfs/dbraw/zinc/55/07/73/825550773.db2.gz SJUNQFLLGJFHQN-UHFFFAOYSA-N 3 2 290.433 -0.919 20 0 CBADLP O=S(=O)(CC1CC[NH2+]CC1)N1CC[NH2+]C[C@@H](F)C1 ZINC001238989224 825582469 /nfs/dbraw/zinc/58/24/69/825582469.db2.gz QNUBZFOUZFHGEG-LLVKDONJSA-N 2 2 279.381 -0.441 20 0 CBADLP CCCNC(=O)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001239285978 825599648 /nfs/dbraw/zinc/59/96/48/825599648.db2.gz BAIKPBGHVNXWMS-UHFFFAOYSA-N 2 2 257.382 -0.810 20 0 CBADLP CC(C)(C)NC(=O)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001239286001 825599709 /nfs/dbraw/zinc/59/97/09/825599709.db2.gz BLFPMDMYLSRNNS-UHFFFAOYSA-N 2 2 271.409 -0.421 20 0 CBADLP O[C@@H](C[NH2+]C[C@H]1CCC[NH2+]1)CC1(O)CC[NH2+]CC1 ZINC001245982278 825616291 /nfs/dbraw/zinc/61/62/91/825616291.db2.gz OAQPSOFAMHJYSM-VXGBXAGGSA-N 3 2 257.378 -0.807 20 0 CBADLP C[C@@H]1CC[C@@H](C[NH2+]C[C@@H](O)CC2(O)CC[NH2+]CC2)[NH2+]C1 ZINC001245990552 825617450 /nfs/dbraw/zinc/61/74/50/825617450.db2.gz JGNMXLVRWHDPFI-RDBSUJKOSA-N 3 2 285.432 -0.170 20 0 CBADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@@H](O)CC1(O)CC[NH2+]CC1 ZINC001245982605 825617539 /nfs/dbraw/zinc/61/75/39/825617539.db2.gz LLBCDZUBMPGAAY-FRRDWIJNSA-N 3 2 271.405 -0.561 20 0 CBADLP O[C@@H](CN[C@H]1CCCC[NH2+]C1)C[NH+]1CCOCC1 ZINC001245995066 825619963 /nfs/dbraw/zinc/61/99/63/825619963.db2.gz RZXYDMFVEKGJEK-STQMWFEESA-N 2 2 257.378 -0.589 20 0 CBADLP [NH3+]CCCC[NH2+]CCC[NH2+]C[C@@]1(O)CCC[NH2+]C1 ZINC001246011154 825621307 /nfs/dbraw/zinc/62/13/07/825621307.db2.gz SHXAOXVICGTPFT-CYBMUJFWSA-N 4 2 258.410 -0.591 20 0 CBADLP CNC(=O)[C@H](CCCC[NH3+])[NH2+]C[C@H](O)C[NH2+]C(C)(C)C ZINC001246019701 825622419 /nfs/dbraw/zinc/62/24/19/825622419.db2.gz MGJYRDMYAGIIBZ-RYUDHWBXSA-N 3 2 288.436 -0.431 20 0 CBADLP COc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246018220 825622802 /nfs/dbraw/zinc/62/28/02/825622802.db2.gz CXFBUOAYCHPWPX-JHJVBQTASA-N 2 2 296.367 -0.171 20 0 CBADLP COc1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246018220 825622807 /nfs/dbraw/zinc/62/28/07/825622807.db2.gz CXFBUOAYCHPWPX-JHJVBQTASA-N 2 2 296.367 -0.171 20 0 CBADLP COc1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246018241 825623278 /nfs/dbraw/zinc/62/32/78/825623278.db2.gz CXFBUOAYCHPWPX-YNEHKIRRSA-N 2 2 296.367 -0.171 20 0 CBADLP COc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246018241 825623286 /nfs/dbraw/zinc/62/32/86/825623286.db2.gz CXFBUOAYCHPWPX-YNEHKIRRSA-N 2 2 296.367 -0.171 20 0 CBADLP [NH3+][C@@H]1CC[N@H+](C[C@H](O)COc2ccc(F)cc2)C[C@H]1O ZINC001246021604 825624670 /nfs/dbraw/zinc/62/46/70/825624670.db2.gz KWZFJEVOBDDBFI-IACUBPJLSA-N 2 2 284.331 -0.041 20 0 CBADLP [NH3+][C@@H]1CC[N@@H+](C[C@H](O)COc2ccc(F)cc2)C[C@H]1O ZINC001246021604 825624673 /nfs/dbraw/zinc/62/46/73/825624673.db2.gz KWZFJEVOBDDBFI-IACUBPJLSA-N 2 2 284.331 -0.041 20 0 CBADLP CC(C)(C)OC[C@H](O)C[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246027134 825626526 /nfs/dbraw/zinc/62/65/26/825626526.db2.gz PAZGVZCHACCZKX-TZMCWYRMSA-N 2 2 271.405 -0.200 20 0 CBADLP CC(C)(C)OC[C@H](O)C[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246027134 825626529 /nfs/dbraw/zinc/62/65/29/825626529.db2.gz PAZGVZCHACCZKX-TZMCWYRMSA-N 2 2 271.405 -0.200 20 0 CBADLP C[C@@H]1C[N@H+](C[C@@H](O)CC2(O)CC[NH2+]CC2)C[C@H]1[NH3+] ZINC001246030701 825627984 /nfs/dbraw/zinc/62/79/84/825627984.db2.gz OEBRZAHGVFZVDG-GRYCIOLGSA-N 3 2 257.378 -0.869 20 0 CBADLP C[C@@H]1C[N@@H+](C[C@@H](O)CC2(O)CC[NH2+]CC2)C[C@H]1[NH3+] ZINC001246030701 825627986 /nfs/dbraw/zinc/62/79/86/825627986.db2.gz OEBRZAHGVFZVDG-GRYCIOLGSA-N 3 2 257.378 -0.869 20 0 CBADLP [NH3+][C@]12CC[C@H]1C[N@H+](C[C@H](O)CC1(O)CC[NH2+]CC1)C2 ZINC001246044963 825629271 /nfs/dbraw/zinc/62/92/71/825629271.db2.gz IKXVNTMPXLIFKG-SCRDCRAPSA-N 3 2 269.389 -0.725 20 0 CBADLP [NH3+][C@]12CC[C@H]1C[N@@H+](C[C@H](O)CC1(O)CC[NH2+]CC1)C2 ZINC001246044963 825629275 /nfs/dbraw/zinc/62/92/75/825629275.db2.gz IKXVNTMPXLIFKG-SCRDCRAPSA-N 3 2 269.389 -0.725 20 0 CBADLP C[C@H](CC(=O)N1CCOCC1)[NH2+][C@H]1C[NH2+]CC12CC2 ZINC001246127983 825637123 /nfs/dbraw/zinc/63/71/23/825637123.db2.gz DIWPNYJRSXPHRM-NEPJUHHUSA-N 2 2 267.373 -0.035 20 0 CBADLP O=C1C[C@H]([NH2+]C[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CCN1 ZINC001246125118 825637457 /nfs/dbraw/zinc/63/74/57/825637457.db2.gz JHRGKCKBZZNNAN-NEPJUHHUSA-N 3 2 266.389 -0.271 20 0 CBADLP COC(=O)[C@@H]1C[C@H](NC[C@@H]2CC[C@H](C)C[NH2+]2)C[NH2+]1 ZINC001246115978 825637537 /nfs/dbraw/zinc/63/75/37/825637537.db2.gz UFYMNQHYDZBFLZ-BJDJZHNGSA-N 2 2 255.362 -0.132 20 0 CBADLP CCOC(=O)C[C@]1([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CC[NH2+]C1 ZINC001246133180 825638443 /nfs/dbraw/zinc/63/84/43/825638443.db2.gz UHHZKRVKHPBVEM-TZMCWYRMSA-N 3 2 296.415 -0.645 20 0 CBADLP COC(=O)[C@@H]1CC[C@@H]([NH2+]C2C[C@@H]3COC[C@H](C2)[NH2+]3)CN1 ZINC001246136031 825639141 /nfs/dbraw/zinc/63/91/41/825639141.db2.gz URLSFWKPDSNFCG-XYTAGDGMSA-N 2 2 283.372 -0.611 20 0 CBADLP COC(=O)[C@H](CCCC[NH3+])[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246151642 825642567 /nfs/dbraw/zinc/64/25/67/825642567.db2.gz KIXVWGXBWGQXOP-NEPJUHHUSA-N 3 2 284.404 -0.659 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](N(CC[NH3+])c2ncccn2)C[NH2+]1 ZINC001246170157 825644294 /nfs/dbraw/zinc/64/42/94/825644294.db2.gz IFAMGAQUZJQAAY-ZJUUUORDSA-N 2 2 265.317 -0.855 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](n2c(=N)sc3c2CC[C@H]([NH3+])C3)C[NH2+]1 ZINC001246192361 825648423 /nfs/dbraw/zinc/64/84/23/825648423.db2.gz BXAVGSCCMYARNM-YIZRAAEISA-N 2 2 296.396 -0.079 20 0 CBADLP CCOC(=O)C(F)(F)C[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246206366 825649461 /nfs/dbraw/zinc/64/94/61/825649461.db2.gz NNFQDUUEIIKDOS-VIFPVBQESA-N 2 2 277.315 -0.132 20 0 CBADLP COC(=O)[C@H](CCSC)[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246205802 825649522 /nfs/dbraw/zinc/64/95/22/825649522.db2.gz VTVSJOHSGQNUAQ-MNOVXSKESA-N 2 2 287.429 -0.035 20 0 CBADLP COC(=O)[C@@H]1C[C@H](NC[C@H]2CSCC[NH2+]2)C[NH2+]1 ZINC001246338563 825666779 /nfs/dbraw/zinc/66/67/79/825666779.db2.gz ZDFPNSDJCWHJDV-GUBZILKMSA-N 2 2 259.375 -0.816 20 0 CBADLP [NH3+]CCOCCOCCOCC[NH2+][C@H]1CCC[NH2+]C1 ZINC001246284206 825659367 /nfs/dbraw/zinc/65/93/67/825659367.db2.gz HDCMLXKPMRKDSA-ZDUSSCGKSA-N 3 2 275.393 -0.664 20 0 CBADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2C[NH2+]C[C@H]2CO)C1 ZINC001246297111 825661146 /nfs/dbraw/zinc/66/11/46/825661146.db2.gz DOVRKTRZSVGIOZ-NOOOWODRSA-N 2 2 256.346 -0.112 20 0 CBADLP O=C1C[C@H]([NH2+][C@@H]2C[NH2+]C[C@H]2CO)CCN1C1CC1 ZINC001246312683 825663048 /nfs/dbraw/zinc/66/30/48/825663048.db2.gz YNNMSVHJPUIKCX-HOSYDEDBSA-N 2 2 253.346 -0.690 20 0 CBADLP COC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2C[NH2+]C[C@@H]2CO)C1 ZINC001246308982 825663758 /nfs/dbraw/zinc/66/37/58/825663758.db2.gz QGMWCJKEBZUAAH-WISYIIOYSA-N 2 2 256.346 -0.112 20 0 CBADLP COC(=O)[C@@H]1C[C@H](N[C@H]2C[NH2+]CCC2(C)C)C[NH2+]1 ZINC001246324986 825664441 /nfs/dbraw/zinc/66/44/41/825664441.db2.gz IITRRGPWKDOYQG-DCAQKATOSA-N 2 2 255.362 -0.132 20 0 CBADLP C[C@@H]1CC[C@H]([NH2+]CCN2CCS(=O)(=O)CC2)C[NH2+]1 ZINC001246337954 825666827 /nfs/dbraw/zinc/66/68/27/825666827.db2.gz YPHLMGJLEKOCRK-NEPJUHHUSA-N 2 2 275.418 -0.553 20 0 CBADLP COC(=O)[C@@H]1C[C@H](NC[C@@H]2CSCC[NH2+]2)C[NH2+]1 ZINC001246338560 825667346 /nfs/dbraw/zinc/66/73/46/825667346.db2.gz ZDFPNSDJCWHJDV-AEJSXWLSSA-N 2 2 259.375 -0.816 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](N(C2COC2)[C@H]2CC[C@H]([NH3+])CC2)C[NH2+]1 ZINC001246362901 825669473 /nfs/dbraw/zinc/66/94/73/825669473.db2.gz RIROMMBQOLHQHR-BYNQJWBRSA-N 2 2 297.399 -0.139 20 0 CBADLP COC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2C[C@@H]3COC[C@H](C2)[NH2+]3)CN1 ZINC001246391776 825670091 /nfs/dbraw/zinc/67/00/91/825670091.db2.gz URLSFWKPDSNFCG-WJTVCTBASA-N 2 2 283.372 -0.611 20 0 CBADLP COC(=O)CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C(N)=O ZINC001246388314 825670114 /nfs/dbraw/zinc/67/01/14/825670114.db2.gz GDWJTYSFGOYJIF-IXMYILBSSA-N 2 2 269.345 -0.334 20 0 CBADLP COC(=O)[C@@H]1C[C@@H]([NH2+]CCC[NH2+]CCC[NH3+])CCN1 ZINC001246455046 825674248 /nfs/dbraw/zinc/67/42/48/825674248.db2.gz WBSPAEYFXPEGLK-RYUDHWBXSA-N 3 2 272.393 -0.802 20 0 CBADLP COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2C[NH2+]C[C@H](C)C2)CN1 ZINC001246499885 825677013 /nfs/dbraw/zinc/67/70/13/825677013.db2.gz VQRUNRNNANYUHR-RHYQMDGZSA-N 2 2 255.362 -0.132 20 0 CBADLP COC(=O)[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)C[C@H]2C)CN1 ZINC001246504961 825678498 /nfs/dbraw/zinc/67/84/98/825678498.db2.gz IJRCYPWRHUUKHW-RHYQMDGZSA-N 2 2 255.362 -0.180 20 0 CBADLP COC(=O)[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)CN1 ZINC001246504961 825678503 /nfs/dbraw/zinc/67/85/03/825678503.db2.gz IJRCYPWRHUUKHW-RHYQMDGZSA-N 2 2 255.362 -0.180 20 0 CBADLP COC(=O)[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)CN1 ZINC001246504963 825678548 /nfs/dbraw/zinc/67/85/48/825678548.db2.gz IJRCYPWRHUUKHW-YFKTTZPYSA-N 2 2 255.362 -0.180 20 0 CBADLP COC(=O)[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)CN1 ZINC001246504963 825678549 /nfs/dbraw/zinc/67/85/49/825678549.db2.gz IJRCYPWRHUUKHW-YFKTTZPYSA-N 2 2 255.362 -0.180 20 0 CBADLP COC(=O)[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)CN1 ZINC001246504960 825679114 /nfs/dbraw/zinc/67/91/14/825679114.db2.gz IJRCYPWRHUUKHW-KXNHARMFSA-N 2 2 255.362 -0.180 20 0 CBADLP COC(=O)[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)CN1 ZINC001246504960 825679117 /nfs/dbraw/zinc/67/91/17/825679117.db2.gz IJRCYPWRHUUKHW-KXNHARMFSA-N 2 2 255.362 -0.180 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](n2cc[nH+]c2CCC[NH3+])C[NH2+]1 ZINC001246522486 825679458 /nfs/dbraw/zinc/67/94/58/825679458.db2.gz CWDJYRXEFXGBSG-ZJUUUORDSA-N 3 2 252.318 -0.150 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](N2CC[NH+](C(C)C)CC2)C[NH2+]1 ZINC001246522664 825679670 /nfs/dbraw/zinc/67/96/70/825679670.db2.gz BHALHAHERKXSAY-NEPJUHHUSA-N 2 2 255.362 -0.084 20 0 CBADLP COC(=O)[C@@H]1CC[C@@H]([N@@H+]2CCO[C@@H](CC[NH3+])C2)CN1 ZINC001246534127 825681775 /nfs/dbraw/zinc/68/17/75/825681775.db2.gz GRXVLIYHOZQJDZ-WOPDTQHZSA-N 2 2 271.361 -0.670 20 0 CBADLP COC(=O)[C@@H]1CC[C@@H]([N@H+]2CCO[C@@H](CC[NH3+])C2)CN1 ZINC001246534127 825681777 /nfs/dbraw/zinc/68/17/77/825681777.db2.gz GRXVLIYHOZQJDZ-WOPDTQHZSA-N 2 2 271.361 -0.670 20 0 CBADLP CCOC(=O)[C@@H]1C[C@H]([N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)CCN1 ZINC001246564533 825685763 /nfs/dbraw/zinc/68/57/63/825685763.db2.gz XUQUJFLEWJWVDZ-KKOKHZNYSA-N 2 2 255.362 -0.051 20 0 CBADLP CCOC(=O)[C@@H]1C[C@H]([N@H+]2C[C@@H](C)[C@H]([NH3+])C2)CCN1 ZINC001246564533 825685766 /nfs/dbraw/zinc/68/57/66/825685766.db2.gz XUQUJFLEWJWVDZ-KKOKHZNYSA-N 2 2 255.362 -0.051 20 0 CBADLP [NH3+]C[C@@]1(O)CCCC[N@@H+]([C@H]2CCS(=O)(=O)C2)C1 ZINC001246559031 825686606 /nfs/dbraw/zinc/68/66/06/825686606.db2.gz NADSXQLPGGSIOW-QWRGUYRKSA-N 2 2 262.375 -0.651 20 0 CBADLP [NH3+]C[C@@]1(O)CCCC[N@H+]([C@H]2CCS(=O)(=O)C2)C1 ZINC001246559031 825686614 /nfs/dbraw/zinc/68/66/14/825686614.db2.gz NADSXQLPGGSIOW-QWRGUYRKSA-N 2 2 262.375 -0.651 20 0 CBADLP COC(=O)[C@@H]1CC[C@H]([N@@H+]2CC[NH2+]C[C@H](C)C2)CN1 ZINC001246576025 825689076 /nfs/dbraw/zinc/68/90/76/825689076.db2.gz YKKQKCGWVKCQEA-SRVKXCTJSA-N 2 2 255.362 -0.179 20 0 CBADLP COC(=O)[C@@H]1CC[C@H]([N@H+]2CC[NH2+]C[C@H](C)C2)CN1 ZINC001246576025 825689079 /nfs/dbraw/zinc/68/90/79/825689079.db2.gz YKKQKCGWVKCQEA-SRVKXCTJSA-N 2 2 255.362 -0.179 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](N2CCC(F)(F)[C@@H]([NH3+])C2)C[NH2+]1 ZINC001246579725 825690152 /nfs/dbraw/zinc/69/01/52/825690152.db2.gz DCKPQZJAYNWCLF-VGMNWLOBSA-N 2 2 263.288 -0.442 20 0 CBADLP Cc1nc(C[N@@H+](C)[C@H]2CCNC3(C[NH2+]C3)C2)no1 ZINC001246603272 825693560 /nfs/dbraw/zinc/69/35/60/825693560.db2.gz YPGGXWGQFNXPAN-JTQLQIEISA-N 2 2 251.334 -0.096 20 0 CBADLP Cc1nc(C[N@H+](C)[C@H]2CCNC3(C[NH2+]C3)C2)no1 ZINC001246603272 825693563 /nfs/dbraw/zinc/69/35/63/825693563.db2.gz YPGGXWGQFNXPAN-JTQLQIEISA-N 2 2 251.334 -0.096 20 0 CBADLP COC(=O)[C@@H]1C[C@H](N2CCC3(CC2)C[NH2+]CCO3)C[NH2+]1 ZINC001246603234 825693858 /nfs/dbraw/zinc/69/38/58/825693858.db2.gz NGDZOTFXOZTKSJ-RYUDHWBXSA-N 2 2 283.372 -0.656 20 0 CBADLP C[C@@H]1C[C@H]([N@@H+]2CC(=O)NC3(CC[NH2+]CC3)C2)CC[NH2+]1 ZINC001246626583 825698363 /nfs/dbraw/zinc/69/83/63/825698363.db2.gz JUWJVZFNOXYCMV-VXGBXAGGSA-N 3 2 266.389 -0.319 20 0 CBADLP C[C@@H]1C[C@H]([N@H+]2CC(=O)NC3(CC[NH2+]CC3)C2)CC[NH2+]1 ZINC001246626583 825698366 /nfs/dbraw/zinc/69/83/66/825698366.db2.gz JUWJVZFNOXYCMV-VXGBXAGGSA-N 3 2 266.389 -0.319 20 0 CBADLP COC(=O)[C@@H]1C[C@@H]([N@@H+]2CC[C@H]3[NH2+]CC[C@H]32)CCN1 ZINC001246635617 825699539 /nfs/dbraw/zinc/69/95/39/825699539.db2.gz DODSJYTVDIKTLX-WHOHXGKFSA-N 2 2 253.346 -0.284 20 0 CBADLP COC(=O)[C@@H]1C[C@@H]([N@H+]2CC[C@H]3[NH2+]CC[C@H]32)CCN1 ZINC001246635617 825699542 /nfs/dbraw/zinc/69/95/42/825699542.db2.gz DODSJYTVDIKTLX-WHOHXGKFSA-N 2 2 253.346 -0.284 20 0 CBADLP CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)CO1 ZINC001246638142 825699641 /nfs/dbraw/zinc/69/96/41/825699641.db2.gz BNPYNSOLDZNLTE-IPYPFGDCSA-N 2 2 297.399 -0.266 20 0 CBADLP CCOC(=O)[C@@H]1CC[C@@H]([N@H+]2CCN[C@]3(CC[NH2+]C3)C2)CO1 ZINC001246638142 825699644 /nfs/dbraw/zinc/69/96/44/825699644.db2.gz BNPYNSOLDZNLTE-IPYPFGDCSA-N 2 2 297.399 -0.266 20 0 CBADLP C1[NH2+]CC12C[C@@H]([N@@H+]1CCC[C@]3(C[NH2+]CCO3)C1)CCN2 ZINC001246645118 825702700 /nfs/dbraw/zinc/70/27/00/825702700.db2.gz BCJBQUJMCVRFJS-ZFWWWQNUSA-N 3 2 280.416 -0.465 20 0 CBADLP C1[NH2+]CC12C[C@@H]([N@H+]1CCC[C@]3(C[NH2+]CCO3)C1)CCN2 ZINC001246645118 825702708 /nfs/dbraw/zinc/70/27/08/825702708.db2.gz BCJBQUJMCVRFJS-ZFWWWQNUSA-N 3 2 280.416 -0.465 20 0 CBADLP CC(=O)N1CC[C@@H]([N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)C1 ZINC001246645121 825702905 /nfs/dbraw/zinc/70/29/05/825702905.db2.gz TVSVGOPIKSPOQS-CHWSQXEVSA-N 2 2 252.362 -0.756 20 0 CBADLP CC(=O)N1CC[C@@H]([N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)C1 ZINC001246645121 825702907 /nfs/dbraw/zinc/70/29/07/825702907.db2.gz TVSVGOPIKSPOQS-CHWSQXEVSA-N 2 2 252.362 -0.756 20 0 CBADLP COC(=O)[C@@H]1CC[C@H]([N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)CN1 ZINC001246661693 825703382 /nfs/dbraw/zinc/70/33/82/825703382.db2.gz RTVGDQSEOGSXDP-XQHKEYJVSA-N 2 2 267.373 -0.036 20 0 CBADLP COC(=O)[C@@H]1CC[C@H]([N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)CN1 ZINC001246661693 825703386 /nfs/dbraw/zinc/70/33/86/825703386.db2.gz RTVGDQSEOGSXDP-XQHKEYJVSA-N 2 2 267.373 -0.036 20 0 CBADLP COC(=O)[C@@H]1C[C@H](n2ccc([C@H]3CCC[NH2+]3)nc2=N)C[NH2+]1 ZINC001246810163 825715417 /nfs/dbraw/zinc/71/54/17/825715417.db2.gz YRBPPSXKNDMCRR-UMNHJUIQSA-N 2 2 291.355 -0.137 20 0 CBADLP O[C@@H]1CC[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC1(F)F ZINC001246826012 825717619 /nfs/dbraw/zinc/71/76/19/825717619.db2.gz ZQRHJJBGCXVKSH-NXEZZACHSA-N 2 2 261.316 -0.218 20 0 CBADLP O[C@@H]1CC[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC1(F)F ZINC001246826012 825717624 /nfs/dbraw/zinc/71/76/24/825717624.db2.gz ZQRHJJBGCXVKSH-NXEZZACHSA-N 2 2 261.316 -0.218 20 0 CBADLP CCc1nnc2n1CC[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246864684 825723821 /nfs/dbraw/zinc/72/38/21/825723821.db2.gz OSNUDSROINIKRI-LLVKDONJSA-N 2 2 276.388 -0.250 20 0 CBADLP CCc1nnc2n1CC[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246864684 825723823 /nfs/dbraw/zinc/72/38/23/825723823.db2.gz OSNUDSROINIKRI-LLVKDONJSA-N 2 2 276.388 -0.250 20 0 CBADLP c1cn2c([nH+]1)CC[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246863323 825723858 /nfs/dbraw/zinc/72/38/58/825723858.db2.gz WOEYUCIGGLLBBI-LBPRGKRZSA-N 3 2 261.373 -0.165 20 0 CBADLP c1cn2c([nH+]1)CC[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246863323 825723859 /nfs/dbraw/zinc/72/38/59/825723859.db2.gz WOEYUCIGGLLBBI-LBPRGKRZSA-N 3 2 261.373 -0.165 20 0 CBADLP COC(=O)[C@@H]1C[C@@H]([NH+]2CC3(C2)CC[NH+](C)CC3)CN1 ZINC001246869180 825725126 /nfs/dbraw/zinc/72/51/26/825725126.db2.gz FRMFERZAZTVAQQ-NEPJUHHUSA-N 2 2 267.373 -0.083 20 0 CBADLP COC(=O)[C@H]1C[N@@H+]([C@@H]2CC[NH2+][C@H](C)C2)CCN1C ZINC001246871394 825727275 /nfs/dbraw/zinc/72/72/75/825727275.db2.gz ZIBSHUOOTSETSW-IJLUTSLNSA-N 2 2 255.362 -0.084 20 0 CBADLP COC(=O)[C@H]1C[N@H+]([C@@H]2CC[NH2+][C@H](C)C2)CCN1C ZINC001246871394 825727279 /nfs/dbraw/zinc/72/72/79/825727279.db2.gz ZIBSHUOOTSETSW-IJLUTSLNSA-N 2 2 255.362 -0.084 20 0 CBADLP COC(=O)[C@@]1([NH3+])CCN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246925624 825733153 /nfs/dbraw/zinc/73/31/53/825733153.db2.gz POKOCDTXVGLHOQ-FIOVSDBCSA-N 2 2 253.346 -0.154 20 0 CBADLP COC(=O)[C@]1([NH3+])CCN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246925630 825733216 /nfs/dbraw/zinc/73/32/16/825733216.db2.gz POKOCDTXVGLHOQ-LMSJBEHQSA-N 2 2 253.346 -0.154 20 0 CBADLP C[NH2+]C1CCC([N@@H+]2C[C@H]([NH3+])[C@H](C(=O)OC)C2)CC1 ZINC001246935879 825734408 /nfs/dbraw/zinc/73/44/08/825734408.db2.gz ZHMQFUIRSRPODF-HCWSGVFWSA-N 3 2 255.362 -0.051 20 0 CBADLP C[NH2+]C1CCC([N@H+]2C[C@H]([NH3+])[C@H](C(=O)OC)C2)CC1 ZINC001246935879 825734412 /nfs/dbraw/zinc/73/44/12/825734412.db2.gz ZHMQFUIRSRPODF-HCWSGVFWSA-N 3 2 255.362 -0.051 20 0 CBADLP COC(=O)[C@@H]1C[N@@H+]([C@@H]2C[C@H]3C[NH2+]C[C@H]3C2)C[C@H]1[NH3+] ZINC001246931345 825734679 /nfs/dbraw/zinc/73/46/79/825734679.db2.gz NVEAAGAXAUVHRS-YBXAARCKSA-N 3 2 253.346 -0.584 20 0 CBADLP COC(=O)[C@@H]1C[N@H+]([C@@H]2C[C@H]3C[NH2+]C[C@H]3C2)C[C@H]1[NH3+] ZINC001246931345 825734682 /nfs/dbraw/zinc/73/46/82/825734682.db2.gz NVEAAGAXAUVHRS-YBXAARCKSA-N 3 2 253.346 -0.584 20 0 CBADLP CC[N@H+]1C[C@@H]2C[NH+]([C@@H]3CN[C@H](C(=O)OC)C3)C[C@@H]2C1 ZINC001246980190 825738004 /nfs/dbraw/zinc/73/80/04/825738004.db2.gz PYBAABLTAIKNNE-RNJOBUHISA-N 2 2 267.373 -0.227 20 0 CBADLP CC[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CN[C@H](C(=O)OC)C3)C[C@@H]2C1 ZINC001246980190 825738011 /nfs/dbraw/zinc/73/80/11/825738011.db2.gz PYBAABLTAIKNNE-RNJOBUHISA-N 2 2 267.373 -0.227 20 0 CBADLP CC[NH+]1C[C@@H]2C[N@H+]([C@@H]3CN[C@H](C(=O)OC)C3)C[C@@H]2C1 ZINC001246980190 825738016 /nfs/dbraw/zinc/73/80/16/825738016.db2.gz PYBAABLTAIKNNE-RNJOBUHISA-N 2 2 267.373 -0.227 20 0 CBADLP CC[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CN[C@H](C(=O)OC)C3)C[C@@H]2C1 ZINC001246980190 825738020 /nfs/dbraw/zinc/73/80/20/825738020.db2.gz PYBAABLTAIKNNE-RNJOBUHISA-N 2 2 267.373 -0.227 20 0 CBADLP COc1cnc(-c2noc(C[C@@H]([NH3+])C[NH3+])n2)c(OC)c1 ZINC001249128553 825748199 /nfs/dbraw/zinc/74/81/99/825748199.db2.gz LSFDSXRQNKTXCY-SSDOTTSWSA-N 2 2 279.300 -0.023 20 0 CBADLP COC(=O)[C@H]1C[N@H+](C)CCN1C(=S)NCC[NH+](C)C ZINC001249837055 825749892 /nfs/dbraw/zinc/74/98/92/825749892.db2.gz PLDSIFFWOPGJGU-SNVBAGLBSA-N 2 2 288.417 -0.789 20 0 CBADLP COC(=O)[C@H]1C[N@@H+](C)CCN1C(=S)NCC[NH+](C)C ZINC001249837055 825749895 /nfs/dbraw/zinc/74/98/95/825749895.db2.gz PLDSIFFWOPGJGU-SNVBAGLBSA-N 2 2 288.417 -0.789 20 0 CBADLP Cc1[nH]c2c([nH+]1)CC[NH+](C[C@@H](O)CN1CCOCC1)CC2 ZINC001251008470 825759671 /nfs/dbraw/zinc/75/96/71/825759671.db2.gz AJYHUKVSOHHMFN-CYBMUJFWSA-N 2 2 294.399 -0.188 20 0 CBADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](C[C@@H](O)CN1CCOCC1)C2 ZINC001251021407 825764924 /nfs/dbraw/zinc/76/49/24/825764924.db2.gz KMNJRASXHPJFRW-QLFBSQMISA-N 2 2 283.416 -0.437 20 0 CBADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](C[C@@H](O)CN1CCOCC1)C2 ZINC001251021407 825764927 /nfs/dbraw/zinc/76/49/27/825764927.db2.gz KMNJRASXHPJFRW-QLFBSQMISA-N 2 2 283.416 -0.437 20 0 CBADLP CC(C)C[N@@H+]1CC[C@H](NC[C@@H](O)C[NH+]2CCOCC2)C1 ZINC001251045368 825771260 /nfs/dbraw/zinc/77/12/60/825771260.db2.gz HHIOELHYZTZUAN-LSDHHAIUSA-N 2 2 285.432 -0.001 20 0 CBADLP CC(C)C[N@H+]1CC[C@H](NC[C@@H](O)C[NH+]2CCOCC2)C1 ZINC001251045368 825771261 /nfs/dbraw/zinc/77/12/61/825771261.db2.gz HHIOELHYZTZUAN-LSDHHAIUSA-N 2 2 285.432 -0.001 20 0 CBADLP OC[C@@H](O)C[NH+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001252059130 825820710 /nfs/dbraw/zinc/82/07/10/825820710.db2.gz QRRHPCFGQBTORE-YDHLFZDLSA-N 2 2 277.368 -0.202 20 0 CBADLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](C[C@H](O)CO)C[C@@H]3C2)cn1 ZINC001252059456 825821465 /nfs/dbraw/zinc/82/14/65/825821465.db2.gz XBXANEVHDDHPGC-ILXRZTDVSA-N 2 2 294.399 -0.473 20 0 CBADLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](C[C@H](O)CO)C[C@@H]3C2)cn1 ZINC001252059456 825821474 /nfs/dbraw/zinc/82/14/74/825821474.db2.gz XBXANEVHDDHPGC-ILXRZTDVSA-N 2 2 294.399 -0.473 20 0 CBADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](C[C@H](O)CO)C[C@@H]3C2)cn1 ZINC001252059456 825821480 /nfs/dbraw/zinc/82/14/80/825821480.db2.gz XBXANEVHDDHPGC-ILXRZTDVSA-N 2 2 294.399 -0.473 20 0 CBADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](C[C@H](O)CO)C[C@@H]3C2)cn1 ZINC001252059456 825821484 /nfs/dbraw/zinc/82/14/84/825821484.db2.gz XBXANEVHDDHPGC-ILXRZTDVSA-N 2 2 294.399 -0.473 20 0 CBADLP C[NH+]1CCN(C(=[NH2+])NC[C@@H](O)COCc2ccco2)CC1 ZINC001252654947 825880917 /nfs/dbraw/zinc/88/09/17/825880917.db2.gz JFFDRUARTYOZNK-GFCCVEGCSA-N 2 2 296.371 -0.071 20 0 CBADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1CC[C@@H](O)[C@@](C)(CO)C1 ZINC001253180393 825902257 /nfs/dbraw/zinc/90/22/57/825902257.db2.gz BRCBUFBKNNCSSR-BFHYXJOUSA-N 2 2 274.405 -0.246 20 0 CBADLP CC[NH+](CC)C[C@H](O)C[N@H+]1CC[C@@H](O)[C@@](C)(CO)C1 ZINC001253180393 825902262 /nfs/dbraw/zinc/90/22/62/825902262.db2.gz BRCBUFBKNNCSSR-BFHYXJOUSA-N 2 2 274.405 -0.246 20 0 CBADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1CC[C@](C)(CO)[C@@H](O)C1 ZINC001253180815 825902409 /nfs/dbraw/zinc/90/24/09/825902409.db2.gz JTZYUCFXSMCDNJ-MELADBBJSA-N 2 2 274.405 -0.246 20 0 CBADLP CC[NH+](CC)C[C@H](O)C[N@H+]1CC[C@](C)(CO)[C@@H](O)C1 ZINC001253180815 825902412 /nfs/dbraw/zinc/90/24/12/825902412.db2.gz JTZYUCFXSMCDNJ-MELADBBJSA-N 2 2 274.405 -0.246 20 0 CBADLP CC[NH+](CC)C[C@@H](O)C[NH2+]CCN1CC[NH+](C)CC1 ZINC001253201868 825903784 /nfs/dbraw/zinc/90/37/84/825903784.db2.gz AJLHSQFWJKHFPJ-AWEZNQCLSA-N 3 2 272.437 -0.474 20 0 CBADLP CC[NH+](CC)C[C@H](O)C[NH2+][C@]1(C)CCC(=O)NC1=O ZINC001253209632 825905205 /nfs/dbraw/zinc/90/52/05/825905205.db2.gz GRJRJROITKIRKL-ZWNOBZJWSA-N 2 2 271.361 -0.526 20 0 CBADLP CC[NH+](CC)C[C@H](O)C[NH2+]CCNC(=O)C(F)(F)F ZINC001253204609 825905296 /nfs/dbraw/zinc/90/52/96/825905296.db2.gz SGJJKRFRAOPHMM-SECBINFHSA-N 2 2 285.310 -0.043 20 0 CBADLP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001253403784 825913854 /nfs/dbraw/zinc/91/38/54/825913854.db2.gz JRGWVZBPHXPPCH-DTWKUNHWSA-N 2 2 257.334 -0.870 20 0 CBADLP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+][C@H]1CCS(=O)(=O)C1 ZINC001253405745 825914267 /nfs/dbraw/zinc/91/42/67/825914267.db2.gz MVOLXZGUMVAQPJ-UWVGGRQHSA-N 2 2 264.391 -0.488 20 0 CBADLP COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC[C@H](O)C[NH2+]C(C)(C)C ZINC001253413129 825914861 /nfs/dbraw/zinc/91/48/61/825914861.db2.gz ZHVVBFAXIVOECR-NWDGAFQWSA-N 2 2 298.387 -0.168 20 0 CBADLP COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC[C@H](O)C[NH2+]C(C)(C)C ZINC001253413129 825914864 /nfs/dbraw/zinc/91/48/64/825914864.db2.gz ZHVVBFAXIVOECR-NWDGAFQWSA-N 2 2 298.387 -0.168 20 0 CBADLP C[NH+](C)Cc1cn(C[C@H]2CC3(C[NH2+]C3)CO2)nn1 ZINC001254068039 825939769 /nfs/dbraw/zinc/93/97/69/825939769.db2.gz XAEKSYUOJOXTAD-LLVKDONJSA-N 2 2 251.334 -0.282 20 0 CBADLP CN1CCC[C@H]([NH2+]CCC[NH+](CCO)CCO)C1 ZINC001255468425 825984735 /nfs/dbraw/zinc/98/47/35/825984735.db2.gz TZBMOGNAPGGHKF-ZDUSSCGKSA-N 2 2 259.394 -0.653 20 0 CBADLP CC(C)(C)[NH+]1CCC([NH2+]CC(=O)NCC(N)=O)CC1 ZINC001256566592 826025995 /nfs/dbraw/zinc/02/59/95/826025995.db2.gz MWKMYJZRLLZNLS-UHFFFAOYSA-N 2 2 270.377 -0.560 20 0 CBADLP [NH3+][C@@H]1COC[C@H]1[NH2+]C1CCC([NH+]2CCOCC2)CC1 ZINC001256679099 826030226 /nfs/dbraw/zinc/03/02/26/826030226.db2.gz CNMIQMDJJFAOKC-NWINJMCUSA-N 3 2 269.389 -0.055 20 0 CBADLP COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H]2[NH3+])C[C@H]1C(=O)OC ZINC001257723989 826051564 /nfs/dbraw/zinc/05/15/64/826051564.db2.gz KPMVHDITWIWMKH-VPJKUYQRSA-N 2 2 270.329 -0.194 20 0 CBADLP COCCOC[C@@H](O)C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC001261436632 826512041 /nfs/dbraw/zinc/51/20/41/826512041.db2.gz GZHULZZXRKQDMK-RYUDHWBXSA-N 2 2 269.345 -0.189 20 0 CBADLP C[C@H]([NH3+])CN1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC001261492829 826524335 /nfs/dbraw/zinc/52/43/35/826524335.db2.gz VZGRXIBLVZDSKU-JTQLQIEISA-N 2 2 264.377 -0.092 20 0 CBADLP C[C@@H]([NH2+]C1CC1)C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001261501944 826528271 /nfs/dbraw/zinc/52/82/71/826528271.db2.gz SSPMURCBLKURMN-MWLCHTKSSA-N 2 2 268.361 -0.807 20 0 CBADLP C[C@@H]([NH2+]C1CC1)C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001261501944 826528274 /nfs/dbraw/zinc/52/82/74/826528274.db2.gz SSPMURCBLKURMN-MWLCHTKSSA-N 2 2 268.361 -0.807 20 0 CBADLP C[NH+]1CCN(CCCCNC(=O)[C@]2(C)C[NH2+]CCO2)CC1 ZINC001262007962 826618687 /nfs/dbraw/zinc/61/86/87/826618687.db2.gz XCGJZZNZPKYGTM-HNNXBMFYSA-N 2 2 298.431 -0.491 20 0 CBADLP [NH3+][C@H]1C[C@H](CNC(=O)C(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC001262072904 826632476 /nfs/dbraw/zinc/63/24/76/826632476.db2.gz BWSKJXQRZZILLX-XYPYZODXSA-N 2 2 280.372 -0.854 20 0 CBADLP C[N@@H+]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1CO ZINC001262185787 826655093 /nfs/dbraw/zinc/65/50/93/826655093.db2.gz AJQZQKPNUFJTOW-GFCCVEGCSA-N 2 2 267.373 -0.250 20 0 CBADLP C[N@H+]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1CO ZINC001262185787 826655098 /nfs/dbraw/zinc/65/50/98/826655098.db2.gz AJQZQKPNUFJTOW-GFCCVEGCSA-N 2 2 267.373 -0.250 20 0 CBADLP C[N@@H+]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1CO ZINC001262185788 826655507 /nfs/dbraw/zinc/65/55/07/826655507.db2.gz AJQZQKPNUFJTOW-LBPRGKRZSA-N 2 2 267.373 -0.250 20 0 CBADLP C[N@H+]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1CO ZINC001262185788 826655511 /nfs/dbraw/zinc/65/55/11/826655511.db2.gz AJQZQKPNUFJTOW-LBPRGKRZSA-N 2 2 267.373 -0.250 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)NC[C@H]2C[C@H]([NH3+])C2)CC1 ZINC001262589450 826714567 /nfs/dbraw/zinc/71/45/67/826714567.db2.gz IOTPOFZULKPGKL-UMSPYCQHSA-N 3 2 269.393 -0.554 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)NC/C=C\CO)CC1 ZINC001262592426 826714825 /nfs/dbraw/zinc/71/48/25/826714825.db2.gz QHHZFKDRILCEFY-UPHRSURJSA-N 2 2 256.350 -0.743 20 0 CBADLP C[C@@H]1CN(c2cc[nH+]c(N)n2)[C@@H](C)C[N@@H+]1CCO ZINC001262699609 826724180 /nfs/dbraw/zinc/72/41/80/826724180.db2.gz GCCVBMWPBMRDNG-ZJUUUORDSA-N 2 2 251.334 -0.050 20 0 CBADLP C[NH2+]C[C@H](O)CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001263170701 826748551 /nfs/dbraw/zinc/74/85/51/826748551.db2.gz WPTVWKJLKKGJCJ-VIFPVBQESA-N 2 2 254.334 -0.274 20 0 CBADLP CC[C@@H]([NH2+][C@H](C)CNC(=O)Cn1cc[nH+]c1)C(N)=O ZINC001265873353 826931635 /nfs/dbraw/zinc/93/16/35/826931635.db2.gz RZRCQMUUJNPGFT-NXEZZACHSA-N 2 2 267.333 -0.759 20 0 CBADLP CC[N@H+](CCNC(=O)Cn1cc[nH+]c1C)CC(N)=O ZINC001266438069 826999847 /nfs/dbraw/zinc/99/98/47/826999847.db2.gz XSURAXVJMMGCHN-UHFFFAOYSA-N 2 2 267.333 -0.885 20 0 CBADLP CC[N@@H+](CCNC(=O)Cn1cc[nH+]c1C)CC(N)=O ZINC001266438069 826999851 /nfs/dbraw/zinc/99/98/51/826999851.db2.gz XSURAXVJMMGCHN-UHFFFAOYSA-N 2 2 267.333 -0.885 20 0 CBADLP COC[C@H](O)C[NH2+]CCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001266846962 827075736 /nfs/dbraw/zinc/07/57/36/827075736.db2.gz OFMLXKMEWXPHKU-LLVKDONJSA-N 2 2 270.333 -0.993 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)[NH2+]CCCO ZINC001266950909 827094482 /nfs/dbraw/zinc/09/44/82/827094482.db2.gz XRYXWHKOOICGCZ-NWDGAFQWSA-N 2 2 280.372 -0.078 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)[NH2+][C@H](C)C(N)=O ZINC001266990690 827103987 /nfs/dbraw/zinc/10/39/87/827103987.db2.gz UQWAFJVJDCFSMM-IONNQARKSA-N 2 2 267.333 -0.771 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH+](C)CCF)C1 ZINC001267231338 827133152 /nfs/dbraw/zinc/13/31/52/827133152.db2.gz WFCZPWRJFMOEHT-LLVKDONJSA-N 2 2 261.341 -0.275 20 0 CBADLP CC[NH+]1CCO[C@@H](C(=O)NCC[N@H+](C)CCF)C1 ZINC001267231338 827133157 /nfs/dbraw/zinc/13/31/57/827133157.db2.gz WFCZPWRJFMOEHT-LLVKDONJSA-N 2 2 261.341 -0.275 20 0 CBADLP CC[NH+]1CCO[C@@H](C(=O)NCC[N@@H+](C)CCF)C1 ZINC001267231338 827133162 /nfs/dbraw/zinc/13/31/62/827133162.db2.gz WFCZPWRJFMOEHT-LLVKDONJSA-N 2 2 261.341 -0.275 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH+](C)CCF)C1 ZINC001267231339 827134236 /nfs/dbraw/zinc/13/42/36/827134236.db2.gz WFCZPWRJFMOEHT-NSHDSACASA-N 2 2 261.341 -0.275 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)NCC[NH+](C)CCF)C1 ZINC001267231339 827134239 /nfs/dbraw/zinc/13/42/39/827134239.db2.gz WFCZPWRJFMOEHT-NSHDSACASA-N 2 2 261.341 -0.275 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)NCC[N@H+](C)CCF)C1 ZINC001267231339 827134244 /nfs/dbraw/zinc/13/42/44/827134244.db2.gz WFCZPWRJFMOEHT-NSHDSACASA-N 2 2 261.341 -0.275 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)NCC[N@@H+](C)CCF)C1 ZINC001267231339 827134247 /nfs/dbraw/zinc/13/42/47/827134247.db2.gz WFCZPWRJFMOEHT-NSHDSACASA-N 2 2 261.341 -0.275 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH+](C)CCF)C1 ZINC001267231338 827133146 /nfs/dbraw/zinc/13/31/46/827133146.db2.gz WFCZPWRJFMOEHT-LLVKDONJSA-N 2 2 261.341 -0.275 20 0 CBADLP CC[N@H+](CCNC(=O)Cc1c[nH+]cn1C)C[C@H](C)O ZINC001267255591 827139066 /nfs/dbraw/zinc/13/90/66/827139066.db2.gz MHIACNWHWGSWFD-NSHDSACASA-N 2 2 268.361 -0.219 20 0 CBADLP CC[N@@H+](CCNC(=O)Cc1c[nH+]cn1C)C[C@H](C)O ZINC001267255591 827139069 /nfs/dbraw/zinc/13/90/69/827139069.db2.gz MHIACNWHWGSWFD-NSHDSACASA-N 2 2 268.361 -0.219 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CCC[N@@H+](CCOCCO)C1 ZINC001267620512 827185292 /nfs/dbraw/zinc/18/52/92/827185292.db2.gz FBAVLKGRYOUUDJ-CYBMUJFWSA-N 2 2 296.371 -0.527 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CCC[N@H+](CCOCCO)C1 ZINC001267620512 827185294 /nfs/dbraw/zinc/18/52/94/827185294.db2.gz FBAVLKGRYOUUDJ-CYBMUJFWSA-N 2 2 296.371 -0.527 20 0 CBADLP CCOCCC[NH+]1CC(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001267661474 827192134 /nfs/dbraw/zinc/19/21/34/827192134.db2.gz BEBYLMYBWPOYSF-UHFFFAOYSA-N 2 2 299.415 -0.064 20 0 CBADLP O=C(NC[C@@H](O)C[NH2+]CCCF)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001268306469 827289714 /nfs/dbraw/zinc/28/97/14/827289714.db2.gz BJLAXOYYCUMMOC-HBNTYKKESA-N 2 2 284.335 -0.061 20 0 CBADLP O=C(NC[C@@H](O)C[NH2+]CCCF)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001268306469 827289721 /nfs/dbraw/zinc/28/97/21/827289721.db2.gz BJLAXOYYCUMMOC-HBNTYKKESA-N 2 2 284.335 -0.061 20 0 CBADLP CCN(CC[NH2+]CCO)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001268460032 827335178 /nfs/dbraw/zinc/33/51/78/827335178.db2.gz NLAYLWNHJHXWII-LBPRGKRZSA-N 2 2 280.372 -0.124 20 0 CBADLP CCN(CC[NH2+][C@H](C)C(N)=O)C(=O)Cc1c[nH+]c[nH]1 ZINC001268484543 827340451 /nfs/dbraw/zinc/34/04/51/827340451.db2.gz PZSPAOLLTHXSBR-SECBINFHSA-N 2 2 267.333 -0.736 20 0 CBADLP CCN(CC[NH2+]C[C@@H](C)O)C(=O)Cn1cc[nH+]c1 ZINC001268503207 827344555 /nfs/dbraw/zinc/34/45/55/827344555.db2.gz ZZUOPMTYGTURDQ-LLVKDONJSA-N 2 2 254.334 -0.298 20 0 CBADLP C[C@H]([NH2+]C/C=C\CNC(=O)Cc1c[nH]c[nH+]1)C(N)=O ZINC001268600012 827375532 /nfs/dbraw/zinc/37/55/32/827375532.db2.gz XYIPRRVKVTZFNK-XADBCAIWSA-N 2 2 265.317 -0.912 20 0 CBADLP CCN(C)C(=O)C[NH2+]C/C=C\CNC(=O)Cc1c[nH]c[nH+]1 ZINC001268599156 827375693 /nfs/dbraw/zinc/37/56/93/827375693.db2.gz UHCHCVWQUCMREH-PLNGDYQASA-N 2 2 293.371 -0.308 20 0 CBADLP C[C@@H](O)C[NH2+]C[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001268670063 827398529 /nfs/dbraw/zinc/39/85/29/827398529.db2.gz RSHCUVNVOSNGKF-NXEZZACHSA-N 2 2 254.334 -0.562 20 0 CBADLP C[C@H](C[NH2+]CC(=O)N(C)C)NC(=O)Cn1cc[nH+]c1 ZINC001268675618 827399636 /nfs/dbraw/zinc/39/96/36/827399636.db2.gz CVCVIEZLAVVEBZ-SNVBAGLBSA-N 2 2 267.333 -0.934 20 0 CBADLP CN(CCC[NH2+]Cc1nnn(C)n1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001268784017 827421618 /nfs/dbraw/zinc/42/16/18/827421618.db2.gz PFOXJVBCZJPWFI-LLVKDONJSA-N 2 2 295.391 -0.758 20 0 CBADLP CN(CCC[NH2+]Cc1nnn(C)n1)C(=O)[C@H]1CCC[N@H+]1C ZINC001268784017 827421623 /nfs/dbraw/zinc/42/16/23/827421623.db2.gz PFOXJVBCZJPWFI-LLVKDONJSA-N 2 2 295.391 -0.758 20 0 CBADLP CN(CCC[NH2+][C@@H]1CCCNC1=O)C(=O)Cc1c[nH+]c[nH]1 ZINC001268860182 827432987 /nfs/dbraw/zinc/43/29/87/827432987.db2.gz BJIGSCDKXATSLP-GFCCVEGCSA-N 2 2 293.371 -0.331 20 0 CBADLP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1C[NH+](CCOCCO)C1 ZINC001269876359 827534856 /nfs/dbraw/zinc/53/48/56/827534856.db2.gz SFVCCUPNAUAKHT-ZDUSSCGKSA-N 2 2 299.415 -0.520 20 0 CBADLP CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1C[NH+](CCOCCO)C1 ZINC001269876359 827534859 /nfs/dbraw/zinc/53/48/59/827534859.db2.gz SFVCCUPNAUAKHT-ZDUSSCGKSA-N 2 2 299.415 -0.520 20 0 CBADLP C[NH+](C)CCN1CC2(C1)CN(C(=O)CCn1cc[nH+]c1)C2 ZINC001270196228 827554601 /nfs/dbraw/zinc/55/46/01/827554601.db2.gz ZEYAKOQSPMNHEK-UHFFFAOYSA-N 2 2 291.399 -0.021 20 0 CBADLP C[N@@H+]1C[C@H]2C[C@@H](C1)N(C(=O)[C@@H](CO)n1cc[nH+]c1)C2 ZINC001270400243 827563348 /nfs/dbraw/zinc/56/33/48/827563348.db2.gz ZUFGEJQLXOPGCL-GRYCIOLGSA-N 2 2 264.329 -0.421 20 0 CBADLP C[N@H+]1C[C@H]2C[C@@H](C1)N(C(=O)[C@@H](CO)n1cc[nH+]c1)C2 ZINC001270400243 827563356 /nfs/dbraw/zinc/56/33/56/827563356.db2.gz ZUFGEJQLXOPGCL-GRYCIOLGSA-N 2 2 264.329 -0.421 20 0 CBADLP C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](Cc3c[nH]c[nH+]3)NC=O)[C@@H]2C1 ZINC001270405182 827564413 /nfs/dbraw/zinc/56/44/13/827564413.db2.gz GCHXGIIUZFEDNI-WCFLWFBJSA-N 2 2 291.355 -0.771 20 0 CBADLP C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](Cc3c[nH]c[nH+]3)NC=O)[C@@H]2C1 ZINC001270405182 827564419 /nfs/dbraw/zinc/56/44/19/827564419.db2.gz GCHXGIIUZFEDNI-WCFLWFBJSA-N 2 2 291.355 -0.771 20 0 CBADLP C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](Cc3c[nH+]c[nH]3)NC=O)[C@@H]2C1 ZINC001270405182 827564423 /nfs/dbraw/zinc/56/44/23/827564423.db2.gz GCHXGIIUZFEDNI-WCFLWFBJSA-N 2 2 291.355 -0.771 20 0 CBADLP C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](Cc3c[nH+]c[nH]3)NC=O)[C@@H]2C1 ZINC001270405182 827564430 /nfs/dbraw/zinc/56/44/30/827564430.db2.gz GCHXGIIUZFEDNI-WCFLWFBJSA-N 2 2 291.355 -0.771 20 0 CBADLP C[C@@H](C[NH2+]CCO)N(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001271020882 827615112 /nfs/dbraw/zinc/61/51/12/827615112.db2.gz GBXDVAZVENACOZ-NWDGAFQWSA-N 2 2 280.372 -0.126 20 0 CBADLP C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)[NH+](C)C ZINC001271148444 827630324 /nfs/dbraw/zinc/63/03/24/827630324.db2.gz YYUHHSSUWDZXLO-RWMBFGLXSA-N 2 2 296.415 -0.300 20 0 CBADLP C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)[NH+](C)C ZINC001271148444 827630326 /nfs/dbraw/zinc/63/03/26/827630326.db2.gz YYUHHSSUWDZXLO-RWMBFGLXSA-N 2 2 296.415 -0.300 20 0 CBADLP CC[NH+]1CC(O)(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001271350849 827694539 /nfs/dbraw/zinc/69/45/39/827694539.db2.gz REEXBDIJGOVPQO-LLVKDONJSA-N 2 2 257.378 -0.245 20 0 CBADLP CCOCC[NH+]1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001271388276 827698142 /nfs/dbraw/zinc/69/81/42/827698142.db2.gz UVFLPZRHCBBUTE-LBPRGKRZSA-N 2 2 285.388 -0.863 20 0 CBADLP CCOCC[NH+]1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001271388276 827698147 /nfs/dbraw/zinc/69/81/47/827698147.db2.gz UVFLPZRHCBBUTE-LBPRGKRZSA-N 2 2 285.388 -0.863 20 0 CBADLP C[C@@H](CC[NH2+]CC(N)=O)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001272873118 827845483 /nfs/dbraw/zinc/84/54/83/827845483.db2.gz GQBOSCIWPSNYRY-WDEREUQCSA-N 2 2 293.371 -0.585 20 0 CBADLP CN(C)CC[N@@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273108933 827865673 /nfs/dbraw/zinc/86/56/73/827865673.db2.gz WOUVQGFEHHYZMO-HNNXBMFYSA-N 2 2 298.431 -0.587 20 0 CBADLP CN(C)CC[N@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273108933 827865680 /nfs/dbraw/zinc/86/56/80/827865680.db2.gz WOUVQGFEHHYZMO-HNNXBMFYSA-N 2 2 298.431 -0.587 20 0 CBADLP CCN(CC[NH2+]CC(=O)N1CCC1)C(=O)Cc1[nH]cc[nH+]1 ZINC001273680834 827917238 /nfs/dbraw/zinc/91/72/38/827917238.db2.gz JMIGEZKPNDTDJA-UHFFFAOYSA-N 2 2 293.371 -0.377 20 0 CBADLP C[NH+](C)CCC[N@@H+]1CC[C@@]2(C1)CN(C1COC1)C(=O)CO2 ZINC001273713686 827920724 /nfs/dbraw/zinc/92/07/24/827920724.db2.gz KFZHCABROOOHLU-OAHLLOKOSA-N 2 2 297.399 -0.360 20 0 CBADLP C[NH+](C)CCC[N@H+]1CC[C@@]2(C1)CN(C1COC1)C(=O)CO2 ZINC001273713686 827920733 /nfs/dbraw/zinc/92/07/33/827920733.db2.gz KFZHCABROOOHLU-OAHLLOKOSA-N 2 2 297.399 -0.360 20 0 CBADLP CC(=O)[C@H](C)[N@@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273982143 827948853 /nfs/dbraw/zinc/94/88/53/827948853.db2.gz IYVOLOALNGWPJP-WFASDCNBSA-N 2 2 297.399 -0.171 20 0 CBADLP CC(=O)[C@H](C)[N@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273982143 827948856 /nfs/dbraw/zinc/94/88/56/827948856.db2.gz IYVOLOALNGWPJP-WFASDCNBSA-N 2 2 297.399 -0.171 20 0 CBADLP C[NH+](C)CCN1C(=O)COCC12C[NH+](C1CC1)C2 ZINC001274016106 827952667 /nfs/dbraw/zinc/95/26/67/827952667.db2.gz KZBDRWMXVRTUJJ-UHFFFAOYSA-N 2 2 253.346 -0.376 20 0 CBADLP C[C@@H](O)C[NH2+]C/C=C/CNC(=O)CCc1c[nH]c[nH+]1 ZINC001274082894 827968064 /nfs/dbraw/zinc/96/80/64/827968064.db2.gz VHLVVSHIIQLVJH-KXMPLOMGSA-N 2 2 266.345 -0.015 20 0 CBADLP C[C@@H](O)C[NH2+]C/C=C/CNC(=O)CCc1c[nH+]c[nH]1 ZINC001274082894 827968070 /nfs/dbraw/zinc/96/80/70/827968070.db2.gz VHLVVSHIIQLVJH-KXMPLOMGSA-N 2 2 266.345 -0.015 20 0 CBADLP C[C@@H](O)C[NH2+]C/C=C\CNC(=O)CCc1c[nH]c[nH+]1 ZINC001274082895 827968294 /nfs/dbraw/zinc/96/82/94/827968294.db2.gz VHLVVSHIIQLVJH-OTDNITJGSA-N 2 2 266.345 -0.015 20 0 CBADLP C[C@@H](O)C[NH2+]C/C=C\CNC(=O)CCc1c[nH+]c[nH]1 ZINC001274082895 827968296 /nfs/dbraw/zinc/96/82/96/827968296.db2.gz VHLVVSHIIQLVJH-OTDNITJGSA-N 2 2 266.345 -0.015 20 0 CBADLP CC[C@@H](C(=O)NC/C=C/C[NH2+]Cc1ncnn1C)[NH+](C)C ZINC001274368003 827985200 /nfs/dbraw/zinc/98/52/00/827985200.db2.gz IOGGVANGSYGYEM-SYTKJHMZSA-N 2 2 294.403 -0.083 20 0 CBADLP CC[C@@H](O)C[NH+]1CC2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001274553355 827997931 /nfs/dbraw/zinc/99/79/31/827997931.db2.gz PMWOWAJARNLIPO-GFCCVEGCSA-N 2 2 285.388 -0.768 20 0 CBADLP C[C@H](C[NH2+]CCO)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001274938305 828043009 /nfs/dbraw/zinc/04/30/09/828043009.db2.gz KZCQZOVYBFWHFY-GHMZBOCLSA-N 2 2 254.334 -0.079 20 0 CBADLP C[C@H](C[NH2+]CCn1cncn1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001274968578 828046220 /nfs/dbraw/zinc/04/62/20/828046220.db2.gz YLUPJOMKUXYGBG-SNVBAGLBSA-N 2 2 277.332 -0.662 20 0 CBADLP C[C@@H](C[NH2+]CCn1cccn1)NC(=O)Cn1cc[nH+]c1 ZINC001275467535 828088434 /nfs/dbraw/zinc/08/84/34/828088434.db2.gz LWDQVSVSQBBHRJ-LBPRGKRZSA-N 2 2 276.344 -0.126 20 0 CBADLP C[C@@H]([NH2+]CCCN(C)C(=O)Cc1c[nH+]c[nH]1)C(N)=O ZINC001276245641 828139321 /nfs/dbraw/zinc/13/93/21/828139321.db2.gz QSEDEEYKNRPVMI-SECBINFHSA-N 2 2 267.333 -0.736 20 0 CBADLP CN(CCC[NH2+][C@H]1CCNC1=O)C(=O)Cc1c[nH+]c[nH]1 ZINC001276245605 828139495 /nfs/dbraw/zinc/13/94/95/828139495.db2.gz PKXSPRJHORDVSK-NSHDSACASA-N 2 2 279.344 -0.721 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001276954808 828167936 /nfs/dbraw/zinc/16/79/36/828167936.db2.gz DBQPZYOYTPZSHB-RYUDHWBXSA-N 2 2 284.404 -0.217 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001276954808 828167942 /nfs/dbraw/zinc/16/79/42/828167942.db2.gz DBQPZYOYTPZSHB-RYUDHWBXSA-N 2 2 284.404 -0.217 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001276954806 828168987 /nfs/dbraw/zinc/16/89/87/828168987.db2.gz DBQPZYOYTPZSHB-NEPJUHHUSA-N 2 2 284.404 -0.217 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001276954806 828168990 /nfs/dbraw/zinc/16/89/90/828168990.db2.gz DBQPZYOYTPZSHB-NEPJUHHUSA-N 2 2 284.404 -0.217 20 0 CBADLP C[C@H](CCC[NH2+][C@@H]1CCNC1=O)NC(=O)Cn1cc[nH+]c1 ZINC001277373725 828187167 /nfs/dbraw/zinc/18/71/67/828187167.db2.gz XOWGHRHITGWDRL-VXGBXAGGSA-N 2 2 293.371 -0.354 20 0 CBADLP CC(=O)[C@H](C)[N@@H+]1C[C@@H]2COC[C@H](C1)N2CC[NH+](C)C ZINC001277887768 828216180 /nfs/dbraw/zinc/21/61/80/828216180.db2.gz XKBYICATOMVHJN-FPMFFAJLSA-N 2 2 269.389 -0.090 20 0 CBADLP CC(=O)[C@H](C)[N@H+]1C[C@@H]2COC[C@H](C1)N2CC[NH+](C)C ZINC001277887768 828216182 /nfs/dbraw/zinc/21/61/82/828216182.db2.gz XKBYICATOMVHJN-FPMFFAJLSA-N 2 2 269.389 -0.090 20 0 CBADLP CC(=O)[C@@H](C)[N@H+]1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001277886111 828217010 /nfs/dbraw/zinc/21/70/10/828217010.db2.gz NLOZRUFIUSWVCT-BNOWGMLFSA-N 2 2 269.389 -0.090 20 0 CBADLP CC(=O)[C@@H](C)[N@@H+]1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001277886111 828217015 /nfs/dbraw/zinc/21/70/15/828217015.db2.gz NLOZRUFIUSWVCT-BNOWGMLFSA-N 2 2 269.389 -0.090 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@]1(C)CC[N@H+](CCO)C1 ZINC001278437702 828269267 /nfs/dbraw/zinc/26/92/67/828269267.db2.gz HLJXTNABKSOBBG-CYBMUJFWSA-N 2 2 266.345 -0.465 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@]1(C)CC[N@@H+](CCO)C1 ZINC001278437702 828269276 /nfs/dbraw/zinc/26/92/76/828269276.db2.gz HLJXTNABKSOBBG-CYBMUJFWSA-N 2 2 266.345 -0.465 20 0 CBADLP C[C@@H](O)C[N@@H+]1CC[C@@](C)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001278451301 828270999 /nfs/dbraw/zinc/27/09/99/828270999.db2.gz UYQLCLHLIIDMTH-DGCLKSJQSA-N 2 2 266.345 -0.156 20 0 CBADLP C[C@@H](O)C[N@H+]1CC[C@@](C)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001278451301 828271006 /nfs/dbraw/zinc/27/10/06/828271006.db2.gz UYQLCLHLIIDMTH-DGCLKSJQSA-N 2 2 266.345 -0.156 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CC[C@@H](C[NH2+]CCO)C1 ZINC001278594935 828275045 /nfs/dbraw/zinc/27/50/45/828275045.db2.gz QKQPLDPCMPWWHG-GHMZBOCLSA-N 2 2 266.345 -0.181 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[C@@H](C[NH2+]CCO)C1 ZINC001278606800 828275314 /nfs/dbraw/zinc/27/53/14/828275314.db2.gz BQCOHYVOWXRNSZ-VXGBXAGGSA-N 2 2 280.372 -0.171 20 0 CBADLP CN(C(=O)Cc1c[nH+]c[nH]1)C1CC([NH2+]CCCO)C1 ZINC001279295198 828319385 /nfs/dbraw/zinc/31/93/85/828319385.db2.gz QXSXYLJUSDQHQI-UHFFFAOYSA-N 2 2 266.345 -0.086 20 0 CBADLP NC(=O)C[N@@H+]1CCC[C@H](NC(=O)CC2(C[NH3+])CC2)C1 ZINC001349471051 890821400 /nfs/dbraw/zinc/82/14/00/890821400.db2.gz AMJJKPAPWWCCLX-JTQLQIEISA-N 2 2 268.361 -0.819 20 0 CBADLP NC(=O)C[N@H+]1CCC[C@H](NC(=O)CC2(C[NH3+])CC2)C1 ZINC001349471051 890821420 /nfs/dbraw/zinc/82/14/20/890821420.db2.gz AMJJKPAPWWCCLX-JTQLQIEISA-N 2 2 268.361 -0.819 20 0 CBADLP CCC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001090600646 884646243 /nfs/dbraw/zinc/64/62/43/884646243.db2.gz LTOJRDHDURNRRW-NEPJUHHUSA-N 2 2 266.345 -0.086 20 0 CBADLP CCC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001090600646 884646250 /nfs/dbraw/zinc/64/62/50/884646250.db2.gz LTOJRDHDURNRRW-NEPJUHHUSA-N 2 2 266.345 -0.086 20 0 CBADLP CC[NH2+]CCN(CCO)C(=O)Cc1[nH]c[nH+]c1C ZINC001326133053 884917170 /nfs/dbraw/zinc/91/71/70/884917170.db2.gz LSOQSWGGHSJWMJ-UHFFFAOYSA-N 2 2 254.334 -0.309 20 0 CBADLP O=C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)N1CC[NH2+]CC1 ZINC001329317507 886014909 /nfs/dbraw/zinc/01/49/09/886014909.db2.gz ZTIRASILTNSJES-CHWSQXEVSA-N 3 2 266.389 -0.508 20 0 CBADLP O=C(C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)N1CC[NH2+]CC1 ZINC001329317507 886014914 /nfs/dbraw/zinc/01/49/14/886014914.db2.gz ZTIRASILTNSJES-CHWSQXEVSA-N 3 2 266.389 -0.508 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC001329568366 886124362 /nfs/dbraw/zinc/12/43/62/886124362.db2.gz PAXOKUNVGLQMTD-LLVKDONJSA-N 2 2 252.318 -0.855 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC001329568366 886124375 /nfs/dbraw/zinc/12/43/75/886124375.db2.gz PAXOKUNVGLQMTD-LLVKDONJSA-N 2 2 252.318 -0.855 20 0 CBADLP C[C@H](C(=O)N1CC(CN2CC[NH+](C)CC2)C1)[NH+](C)C ZINC001330262347 886405706 /nfs/dbraw/zinc/40/57/06/886405706.db2.gz UXUPACPPPXVRFI-GFCCVEGCSA-N 2 2 268.405 -0.358 20 0 CBADLP COCC[N@@H+]1CC[C@H](NC(=O)c2ncoc2C[NH3+])C1 ZINC001330880966 886612765 /nfs/dbraw/zinc/61/27/65/886612765.db2.gz XLSYRNCBGGAQDS-VIFPVBQESA-N 2 2 268.317 -0.416 20 0 CBADLP COCC[N@H+]1CC[C@H](NC(=O)c2ncoc2C[NH3+])C1 ZINC001330880966 886612771 /nfs/dbraw/zinc/61/27/71/886612771.db2.gz XLSYRNCBGGAQDS-VIFPVBQESA-N 2 2 268.317 -0.416 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[C@H](C[NH2+]CCO)C1 ZINC001332338549 887210943 /nfs/dbraw/zinc/21/09/43/887210943.db2.gz CUQAZJSENFFTLJ-RYUDHWBXSA-N 2 2 266.345 -0.250 20 0 CBADLP Cn1c[nH+]cc1[C@@H](CO)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001332687874 887406643 /nfs/dbraw/zinc/40/66/43/887406643.db2.gz FVHZFTONHXGVJU-VHSXEESVSA-N 2 2 252.318 -0.479 20 0 CBADLP Cn1c[nH+]cc1[C@@H](CO)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001332687874 887406652 /nfs/dbraw/zinc/40/66/52/887406652.db2.gz FVHZFTONHXGVJU-VHSXEESVSA-N 2 2 252.318 -0.479 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)N2CC[NH2+]CC2)CC1 ZINC001335646172 888591966 /nfs/dbraw/zinc/59/19/66/888591966.db2.gz MPILIOHWXBGARI-UHFFFAOYSA-N 3 2 255.366 -0.976 20 0 CBADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)C1CC([NH2+]C)C1 ZINC001338375330 889151323 /nfs/dbraw/zinc/15/13/23/889151323.db2.gz WTDOXRXHLRDMRK-VQXHTEKXSA-N 2 2 269.345 -0.652 20 0 CBADLP C[C@@H]1CN(C(=O)C[NH+]2CCC(CO)CC2)CC[N@H+]1C ZINC001338876821 889211630 /nfs/dbraw/zinc/21/16/30/889211630.db2.gz HSIDUAAOUWEGCS-GFCCVEGCSA-N 2 2 269.389 -0.147 20 0 CBADLP C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001340749199 889480070 /nfs/dbraw/zinc/48/00/70/889480070.db2.gz RZSYSCCYMPCPKM-OPRDCNLKSA-N 2 2 252.318 -0.448 20 0 CBADLP C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001340749199 889480078 /nfs/dbraw/zinc/48/00/78/889480078.db2.gz RZSYSCCYMPCPKM-OPRDCNLKSA-N 2 2 252.318 -0.448 20 0 CBADLP CC1(C)CC[NH2+][C@H]1C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001340943349 889518658 /nfs/dbraw/zinc/51/86/58/889518658.db2.gz SMKYFSNVQUPCPY-LBPRGKRZSA-N 3 2 268.405 -0.086 20 0 CBADLP O=C(CCn1cc[nH+]c1)N[C@@H]1COC2(C[NH2+]C2)C1 ZINC001341370281 889582618 /nfs/dbraw/zinc/58/26/18/889582618.db2.gz WKFXATOHCLBGHW-JTQLQIEISA-N 2 2 250.302 -0.480 20 0 CBADLP COC[C@H]([NH3+])C(=O)NCCCCN1CC[NH+](C)CC1 ZINC001341627512 889633780 /nfs/dbraw/zinc/63/37/80/889633780.db2.gz QAKUODXSBHQDPS-LBPRGKRZSA-N 2 2 272.393 -0.896 20 0 CBADLP COC[C@@H](O)C[NH+]1CC(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001443554268 912221801 /nfs/dbraw/zinc/22/18/01/912221801.db2.gz JCHIGPXYCNMUNQ-AWEZNQCLSA-N 2 2 299.415 -0.330 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)CC1 ZINC001443746620 912270462 /nfs/dbraw/zinc/27/04/62/912270462.db2.gz ZVTRFBMRMAUXOP-UHTWSYAYSA-N 2 2 294.399 -0.608 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)CC1 ZINC001443746620 912270478 /nfs/dbraw/zinc/27/04/78/912270478.db2.gz ZVTRFBMRMAUXOP-UHTWSYAYSA-N 2 2 294.399 -0.608 20 0 CBADLP CCN(C(=O)C[NH+](C)C1CCC1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001443856631 912290409 /nfs/dbraw/zinc/29/04/09/912290409.db2.gz AYIIGPGTULJOKC-ZDUSSCGKSA-N 2 2 296.415 -0.121 20 0 CBADLP CCN(C(=O)C[NH+](C)C1CCC1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001443856631 912290431 /nfs/dbraw/zinc/29/04/31/912290431.db2.gz AYIIGPGTULJOKC-ZDUSSCGKSA-N 2 2 296.415 -0.121 20 0 CBADLP CCN(C(=O)C[N@H+](C)C1CCC1)[C@H]1CC[NH+](CC(N)=O)C1 ZINC001443856631 912290445 /nfs/dbraw/zinc/29/04/45/912290445.db2.gz AYIIGPGTULJOKC-ZDUSSCGKSA-N 2 2 296.415 -0.121 20 0 CBADLP CCN(C(=O)C[N@@H+](C)C1CCC1)[C@H]1CC[NH+](CC(N)=O)C1 ZINC001443856631 912290462 /nfs/dbraw/zinc/29/04/62/912290462.db2.gz AYIIGPGTULJOKC-ZDUSSCGKSA-N 2 2 296.415 -0.121 20 0 CBADLP CC[C@@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)[NH2+]CCO ZINC001443961164 912314483 /nfs/dbraw/zinc/31/44/83/912314483.db2.gz UFVDHKYVMXRCMK-NEPJUHHUSA-N 2 2 280.372 -0.078 20 0 CBADLP CC[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@@H]1CCN(C)C1=O ZINC001444013149 912321655 /nfs/dbraw/zinc/32/16/55/912321655.db2.gz SPVYAIOCDBBUND-ZYHUDNBSSA-N 2 2 293.371 -0.333 20 0 CBADLP CC[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@H]1CCN(C)C1=O ZINC001444013143 912323028 /nfs/dbraw/zinc/32/30/28/912323028.db2.gz SPVYAIOCDBBUND-PWSUYJOCSA-N 2 2 293.371 -0.333 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)[C@H](O)C2CCC2)CC1 ZINC001342461659 889781849 /nfs/dbraw/zinc/78/18/49/889781849.db2.gz LWBZYOLNBVSMTF-GFCCVEGCSA-N 2 2 255.362 -0.313 20 0 CBADLP C[C@@H]([NH2+]CC1(NC(=O)Cc2c[nH]c[nH+]2)CCCC1)C(N)=O ZINC001444083988 912357121 /nfs/dbraw/zinc/35/71/21/912357121.db2.gz WHYOFWMLVJEYOY-SNVBAGLBSA-N 2 2 293.371 -0.155 20 0 CBADLP CO[C@@H](C[NH3+])C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC001342952422 889848492 /nfs/dbraw/zinc/84/84/92/889848492.db2.gz SWZHCUHNRDDQNM-QWRGUYRKSA-N 2 2 259.350 -0.861 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)C[NH2+]CC(N)=O ZINC001444341496 912426336 /nfs/dbraw/zinc/42/63/36/912426336.db2.gz CFTLRFJLZPUKMW-MNOVXSKESA-N 2 2 293.371 -0.727 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]C[C@@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001444415906 912448320 /nfs/dbraw/zinc/44/83/20/912448320.db2.gz ATOQFTQQACJEQK-MWLCHTKSSA-N 2 2 295.387 -0.263 20 0 CBADLP COC[C@H](C)[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001444483674 912455450 /nfs/dbraw/zinc/45/54/50/912455450.db2.gz VIEIBWDLSSTIHE-KBPBESRZSA-N 2 2 299.415 -0.066 20 0 CBADLP COC[C@H](C)[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001444483674 912455467 /nfs/dbraw/zinc/45/54/67/912455467.db2.gz VIEIBWDLSSTIHE-KBPBESRZSA-N 2 2 299.415 -0.066 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001344708670 890055189 /nfs/dbraw/zinc/05/51/89/890055189.db2.gz OHMNVCCPZLSVHY-UHFFFAOYSA-N 3 2 265.361 -0.269 20 0 CBADLP C[C@@H](C[NH2+][C@@H]1CCCNC1=O)N(C)C(=O)Cn1cc[nH+]c1 ZINC001444727284 912496725 /nfs/dbraw/zinc/49/67/25/912496725.db2.gz NLAWSXVZYIQBQA-NWDGAFQWSA-N 2 2 293.371 -0.402 20 0 CBADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)CC1(C[NH3+])CC1 ZINC001346013724 890195871 /nfs/dbraw/zinc/19/58/71/890195871.db2.gz GATJWWAJGODURB-SNVBAGLBSA-N 2 2 269.345 -0.521 20 0 CBADLP COC(=O)[C@@H]([NH3+])Cc1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC001346588862 890323969 /nfs/dbraw/zinc/32/39/69/890323969.db2.gz QFFCENUVJLGQGU-ZJUUUORDSA-N 2 2 253.306 -0.755 20 0 CBADLP C[C@H](C[NH2+]CC(N)=O)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001445436439 912667531 /nfs/dbraw/zinc/66/75/31/912667531.db2.gz XUCVHSDMLBHSRI-OPRDCNLKSA-N 2 2 279.344 -0.897 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001445650858 912726280 /nfs/dbraw/zinc/72/62/80/912726280.db2.gz QAWXFSCMECPJFH-QWRGUYRKSA-N 2 2 295.387 -0.419 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001446061836 912803985 /nfs/dbraw/zinc/80/39/85/912803985.db2.gz VRAPMZDMMARZTG-CHWSQXEVSA-N 2 2 296.415 -0.075 20 0 CBADLP CC[C@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001446061836 912804003 /nfs/dbraw/zinc/80/40/03/912804003.db2.gz VRAPMZDMMARZTG-CHWSQXEVSA-N 2 2 296.415 -0.075 20 0 CBADLP CC[C@H](C(N)=O)[NH+]1CC[C@@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001446061836 912804018 /nfs/dbraw/zinc/80/40/18/912804018.db2.gz VRAPMZDMMARZTG-CHWSQXEVSA-N 2 2 296.415 -0.075 20 0 CBADLP CC[C@H](C(N)=O)[NH+]1CC[C@@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001446061836 912804034 /nfs/dbraw/zinc/80/40/34/912804034.db2.gz VRAPMZDMMARZTG-CHWSQXEVSA-N 2 2 296.415 -0.075 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001446061843 912804271 /nfs/dbraw/zinc/80/42/71/912804271.db2.gz VRAPMZDMMARZTG-OLZOCXBDSA-N 2 2 296.415 -0.075 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001446061843 912804285 /nfs/dbraw/zinc/80/42/85/912804285.db2.gz VRAPMZDMMARZTG-OLZOCXBDSA-N 2 2 296.415 -0.075 20 0 CBADLP CC[C@@H](C(N)=O)[NH+]1CC[C@@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001446061843 912804305 /nfs/dbraw/zinc/80/43/05/912804305.db2.gz VRAPMZDMMARZTG-OLZOCXBDSA-N 2 2 296.415 -0.075 20 0 CBADLP CC[C@@H](C(N)=O)[NH+]1CC[C@@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001446061843 912804327 /nfs/dbraw/zinc/80/43/27/912804327.db2.gz VRAPMZDMMARZTG-OLZOCXBDSA-N 2 2 296.415 -0.075 20 0 CBADLP CCC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001090600648 884644861 /nfs/dbraw/zinc/64/48/61/884644861.db2.gz LTOJRDHDURNRRW-RYUDHWBXSA-N 2 2 266.345 -0.086 20 0 CBADLP CCC[N@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001090600648 884644867 /nfs/dbraw/zinc/64/48/67/884644867.db2.gz LTOJRDHDURNRRW-RYUDHWBXSA-N 2 2 266.345 -0.086 20 0 CBADLP CC(C)(C)OC(=O)NCC[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001206463769 884758168 /nfs/dbraw/zinc/75/81/68/884758168.db2.gz FKGDTZVWYBIEID-VHSXEESVSA-N 2 2 259.350 -0.238 20 0 CBADLP CC(C)(C)OC(=O)NCC[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001206463769 884758178 /nfs/dbraw/zinc/75/81/78/884758178.db2.gz FKGDTZVWYBIEID-VHSXEESVSA-N 2 2 259.350 -0.238 20 0 CBADLP CC[N@H+]1CC[C@](O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001278816197 884820183 /nfs/dbraw/zinc/82/01/83/884820183.db2.gz OJYDCFVTDXKLEC-LBPRGKRZSA-N 2 2 252.318 -0.475 20 0 CBADLP CC[N@@H+]1CC[C@](O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001278816197 884820169 /nfs/dbraw/zinc/82/01/69/884820169.db2.gz OJYDCFVTDXKLEC-LBPRGKRZSA-N 2 2 252.318 -0.475 20 0 CBADLP CC1CC[NH+](CC(=O)N[C@@]2(C)CC[N@H+](CC(N)=O)C2)CC1 ZINC001446545254 912904299 /nfs/dbraw/zinc/90/42/99/912904299.db2.gz FLRQVTGSDIAALS-HNNXBMFYSA-N 2 2 296.415 -0.216 20 0 CBADLP CC1CC[NH+](CC(=O)N[C@@]2(C)CC[N@@H+](CC(N)=O)C2)CC1 ZINC001446545254 912904304 /nfs/dbraw/zinc/90/43/04/912904304.db2.gz FLRQVTGSDIAALS-HNNXBMFYSA-N 2 2 296.415 -0.216 20 0 CBADLP COCC[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CCO1 ZINC001327017608 885225722 /nfs/dbraw/zinc/22/57/22/885225722.db2.gz JQPHIHKVXNTUOP-CYBMUJFWSA-N 2 2 296.371 -0.263 20 0 CBADLP COCCC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001327033806 885234174 /nfs/dbraw/zinc/23/41/74/885234174.db2.gz HWIQVXAXMFIEQK-ZDUSSCGKSA-N 2 2 296.371 -0.194 20 0 CBADLP C[NH2+]C1CCN(C(=O)[C@H](C)[NH+]2CCN(C)CC2)CC1 ZINC001327087058 885252581 /nfs/dbraw/zinc/25/25/81/885252581.db2.gz LCTNKJLELCTHJJ-LBPRGKRZSA-N 2 2 268.405 -0.167 20 0 CBADLP NC(=O)C[N@@H+]1CCC[C@H](NC(=O)CC[NH2+]C2CC2)C1 ZINC001327132162 885268741 /nfs/dbraw/zinc/26/87/41/885268741.db2.gz XMGQBKHRFMGHAV-NSHDSACASA-N 2 2 268.361 -0.806 20 0 CBADLP NC(=O)C[N@H+]1CCC[C@H](NC(=O)CC[NH2+]C2CC2)C1 ZINC001327132162 885268759 /nfs/dbraw/zinc/26/87/59/885268759.db2.gz XMGQBKHRFMGHAV-NSHDSACASA-N 2 2 268.361 -0.806 20 0 CBADLP C[C@@H](C(=O)NCCCN1CC[NH2+]CC1)n1cc[nH+]c1 ZINC001327196590 885283985 /nfs/dbraw/zinc/28/39/85/885283985.db2.gz SHBSKTKBFCCRPD-LBPRGKRZSA-N 2 2 265.361 -0.144 20 0 CBADLP C[C@@H](O)C[NH2+]C1(CNC(=O)Cc2c[nH]c[nH+]2)CCOCC1 ZINC001446717901 912923747 /nfs/dbraw/zinc/92/37/47/912923747.db2.gz YZJLTEVCMQPXKZ-LLVKDONJSA-N 2 2 296.371 -0.412 20 0 CBADLP CN(CC(C)(C)[NH3+])C(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC001327835887 885492854 /nfs/dbraw/zinc/49/28/54/885492854.db2.gz YXNGDFKZAZOCCT-SNVBAGLBSA-N 2 2 293.371 -0.490 20 0 CBADLP CNC(=O)CC1CC[NH+](C[C@@H]2C[NH2+]CCO2)CC1 ZINC001328437658 885687223 /nfs/dbraw/zinc/68/72/23/885687223.db2.gz RBVCAJKZOFUMNP-LBPRGKRZSA-N 2 2 255.362 -0.177 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C[C@H]([NH3+])C1CC1 ZINC001328581690 885735265 /nfs/dbraw/zinc/73/52/65/885735265.db2.gz UDGVBGHVYSASKK-PWSUYJOCSA-N 2 2 255.362 -0.049 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C[C@H]([NH3+])C1CC1 ZINC001328581690 885735272 /nfs/dbraw/zinc/73/52/72/885735272.db2.gz UDGVBGHVYSASKK-PWSUYJOCSA-N 2 2 255.362 -0.049 20 0 CBADLP CC(=O)N1CCC([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC001328700387 885782751 /nfs/dbraw/zinc/78/27/51/885782751.db2.gz OJDGTCKQHUJAOJ-AWEZNQCLSA-N 2 2 296.415 -0.073 20 0 CBADLP CC(=O)N1CCC([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC001328700387 885782765 /nfs/dbraw/zinc/78/27/65/885782765.db2.gz OJDGTCKQHUJAOJ-AWEZNQCLSA-N 2 2 296.415 -0.073 20 0 CBADLP COCC[NH2+]C1CC[NH+](CCN2C(=O)CNC2=O)CC1 ZINC001328730731 885796486 /nfs/dbraw/zinc/79/64/86/885796486.db2.gz QOHDRCNOZGXBDN-UHFFFAOYSA-N 2 2 284.360 -0.761 20 0 CBADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC001328979989 885869104 /nfs/dbraw/zinc/86/91/04/885869104.db2.gz FUVLYPRCVWSXQW-HBNTYKKESA-N 2 2 291.355 -0.819 20 0 CBADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC001329115980 885935145 /nfs/dbraw/zinc/93/51/45/885935145.db2.gz OQDKXRFAWYDXNX-WDEREUQCSA-N 2 2 291.355 -0.786 20 0 CBADLP Cn1ccnc1C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001329140083 885944877 /nfs/dbraw/zinc/94/48/77/885944877.db2.gz DQQZEUIDGQTQJC-GFCCVEGCSA-N 2 2 267.377 -0.882 20 0 CBADLP C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@@H](C)[NH2+]CCCO ZINC001329152728 885950991 /nfs/dbraw/zinc/95/09/91/885950991.db2.gz SKPMTBIDYGSSOV-NXEZZACHSA-N 2 2 254.334 -0.183 20 0 CBADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C1CCN(C=O)CC1 ZINC001329746360 886193059 /nfs/dbraw/zinc/19/30/59/886193059.db2.gz TXYDMTMNXWSNFA-ZDUSSCGKSA-N 2 2 282.388 -0.463 20 0 CBADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C1CCN(C=O)CC1 ZINC001329746360 886193068 /nfs/dbraw/zinc/19/30/68/886193068.db2.gz TXYDMTMNXWSNFA-ZDUSSCGKSA-N 2 2 282.388 -0.463 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)CC[NH2+]CC1CC1 ZINC001330587701 886489896 /nfs/dbraw/zinc/48/98/96/886489896.db2.gz CIXIZDUEBMCHJD-LBPRGKRZSA-N 2 2 283.372 -0.260 20 0 CBADLP [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)N1CCn2c[nH+]cc2C1 ZINC001330846882 886592467 /nfs/dbraw/zinc/59/24/67/886592467.db2.gz QNYLCMGYOOLVCT-NSHDSACASA-N 2 2 291.355 -0.435 20 0 CBADLP CCNC(=O)C[N@H+](C)CCCN(C)C(=O)Cn1cc[nH+]c1 ZINC001447372463 913060217 /nfs/dbraw/zinc/06/02/17/913060217.db2.gz JZLCSOSYYGVRJN-UHFFFAOYSA-N 2 2 295.387 -0.201 20 0 CBADLP CCNC(=O)C[N@@H+](C)CCCN(C)C(=O)Cn1cc[nH+]c1 ZINC001447372463 913060232 /nfs/dbraw/zinc/06/02/32/913060232.db2.gz JZLCSOSYYGVRJN-UHFFFAOYSA-N 2 2 295.387 -0.201 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])CC1CC1 ZINC001330879837 886613137 /nfs/dbraw/zinc/61/31/37/886613137.db2.gz MKSQCHZHIQHIHY-QWRGUYRKSA-N 2 2 269.345 -0.523 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]CCC[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001330946703 886633752 /nfs/dbraw/zinc/63/37/52/886633752.db2.gz MJLBMULHKMBZCQ-QWRGUYRKSA-N 2 2 295.387 -0.039 20 0 CBADLP Cn1c[nH+]c(CCNC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC001331576353 886852849 /nfs/dbraw/zinc/85/28/49/886852849.db2.gz XUJFUFJFKRKVER-TXEJJXNPSA-N 2 2 291.355 -0.958 20 0 CBADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC001331759583 886961572 /nfs/dbraw/zinc/96/15/72/886961572.db2.gz OWIOCMRYJTWKFP-SNVBAGLBSA-N 2 2 258.347 -0.675 20 0 CBADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC001331759583 886961585 /nfs/dbraw/zinc/96/15/85/886961585.db2.gz OWIOCMRYJTWKFP-SNVBAGLBSA-N 2 2 258.347 -0.675 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](CO)[NH2+]CCCF ZINC001331818448 886998704 /nfs/dbraw/zinc/99/87/04/886998704.db2.gz GUXIQTYEZCTOJH-SNVBAGLBSA-N 2 2 272.324 -0.313 20 0 CBADLP Cn1c[nH+]cc1[C@@H](CO)NC(=O)C1([NH+](C)C)CC1 ZINC001331885720 887032626 /nfs/dbraw/zinc/03/26/26/887032626.db2.gz JLRSDPCQFLJTEJ-SECBINFHSA-N 2 2 252.318 -0.336 20 0 CBADLP COC(=O)[C@H]([NH3+])Cc1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC001331918336 887045890 /nfs/dbraw/zinc/04/58/90/887045890.db2.gz MYOWTENGCGVBPZ-PSASIEDQSA-N 2 2 253.306 -0.927 20 0 CBADLP [NH3+]C[C@@H]1CC[N@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC001331980654 887075468 /nfs/dbraw/zinc/07/54/68/887075468.db2.gz JJROUUSZUSRVHW-NWDGAFQWSA-N 3 2 264.377 -0.017 20 0 CBADLP [NH3+]C[C@@H]1CC[N@@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC001331980654 887075473 /nfs/dbraw/zinc/07/54/73/887075473.db2.gz JJROUUSZUSRVHW-NWDGAFQWSA-N 3 2 264.377 -0.017 20 0 CBADLP [NH3+]C[C@H]1CC[N@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC001331980658 887076315 /nfs/dbraw/zinc/07/63/15/887076315.db2.gz JJROUUSZUSRVHW-VXGBXAGGSA-N 3 2 264.377 -0.017 20 0 CBADLP [NH3+]C[C@H]1CC[N@@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC001331980658 887076326 /nfs/dbraw/zinc/07/63/26/887076326.db2.gz JJROUUSZUSRVHW-VXGBXAGGSA-N 3 2 264.377 -0.017 20 0 CBADLP Cn1c[nH+]cc1[C@H](CO)NC(=O)C1CC[NH+](C)CC1 ZINC001332209281 887152962 /nfs/dbraw/zinc/15/29/62/887152962.db2.gz IZXTWBDBYUAMIV-NSHDSACASA-N 2 2 266.345 -0.089 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[C@H](C[NH2+]CCO)C1 ZINC001332338548 887213291 /nfs/dbraw/zinc/21/32/91/887213291.db2.gz CUQAZJSENFFTLJ-NWDGAFQWSA-N 2 2 266.345 -0.250 20 0 CBADLP [NH3+][C@H]1CCCN(Cc2cn(Cc3[nH]cc[nH+]3)nn2)C1 ZINC001332375595 887238376 /nfs/dbraw/zinc/23/83/76/887238376.db2.gz FADUABVTUUZKAJ-JTQLQIEISA-N 2 2 261.333 -0.027 20 0 CBADLP C[N@H+](CC(=O)N1CC[NH2+]CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001332417394 887270225 /nfs/dbraw/zinc/27/02/25/887270225.db2.gz UULPIKQALPQFQB-FUNVUKJBSA-N 3 2 266.389 -0.367 20 0 CBADLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001332417394 887270237 /nfs/dbraw/zinc/27/02/37/887270237.db2.gz UULPIKQALPQFQB-FUNVUKJBSA-N 3 2 266.389 -0.367 20 0 CBADLP [NH3+]Cc1cc(C(=O)N2CC[NH+](CCO)CC2)co1 ZINC001332431337 887279401 /nfs/dbraw/zinc/27/94/01/887279401.db2.gz DNBBAOFWLLSAFY-UHFFFAOYSA-N 2 2 253.302 -0.512 20 0 CBADLP O[C@H](COC1CCOCC1)C[N@@H+]1CCC[NH2+]CC1 ZINC001332815550 887436682 /nfs/dbraw/zinc/43/66/82/887436682.db2.gz JIATUPQQHCKAPN-LBPRGKRZSA-N 2 2 258.362 -0.162 20 0 CBADLP O[C@H](COC1CCOCC1)C[N@H+]1CCC[NH2+]CC1 ZINC001332815550 887436689 /nfs/dbraw/zinc/43/66/89/887436689.db2.gz JIATUPQQHCKAPN-LBPRGKRZSA-N 2 2 258.362 -0.162 20 0 CBADLP C[C@@H]1CN(C(=O)C(=O)N2CCn3c[nH+]cc3C2)C[C@H]1[NH3+] ZINC001332892914 887465290 /nfs/dbraw/zinc/46/52/90/887465290.db2.gz KGRRXFWKCQXFKF-MWLCHTKSSA-N 2 2 277.328 -0.969 20 0 CBADLP CCNC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001447879314 913153586 /nfs/dbraw/zinc/15/35/86/913153586.db2.gz DCAASNJHQCUVIV-NEPJUHHUSA-N 2 2 295.387 -0.108 20 0 CBADLP CCNC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001447879317 913152457 /nfs/dbraw/zinc/15/24/57/913152457.db2.gz DCAASNJHQCUVIV-VXGBXAGGSA-N 2 2 295.387 -0.108 20 0 CBADLP C[C@@H](NC(=O)CCc1[nH+]ccn1C)[C@H](C)[NH2+]CC(N)=O ZINC001447882338 913152601 /nfs/dbraw/zinc/15/26/01/913152601.db2.gz KBGOMQYYJCSFQF-VHSXEESVSA-N 2 2 281.360 -0.679 20 0 CBADLP C[NH+]1CCN(C2CC[NH+]([C@@H]3CCNC3=O)CC2)CC1 ZINC001333052467 887513031 /nfs/dbraw/zinc/51/30/31/887513031.db2.gz BTQWTCMPQNPXMT-CYBMUJFWSA-N 2 2 266.389 -0.413 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(O)(COCCO)CC1 ZINC001333473778 887653584 /nfs/dbraw/zinc/65/35/84/887653584.db2.gz BDSKBUCAMSWWDE-ZDUSSCGKSA-N 2 2 290.404 -0.865 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(O)(COCCO)CC1 ZINC001333473778 887653590 /nfs/dbraw/zinc/65/35/90/887653590.db2.gz BDSKBUCAMSWWDE-ZDUSSCGKSA-N 2 2 290.404 -0.865 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@H](CC)[NH2+]C ZINC001333630931 887726447 /nfs/dbraw/zinc/72/64/47/887726447.db2.gz SPYAFCDBQCSABW-UWVGGRQHSA-N 2 2 257.334 -0.652 20 0 CBADLP NS(=O)(=O)C1CC[NH+](CCC[NH2+]C2CC2)CC1 ZINC001334337199 887925475 /nfs/dbraw/zinc/92/54/75/887925475.db2.gz GPTAWXYOFDFMCO-UHFFFAOYSA-N 2 2 261.391 -0.119 20 0 CBADLP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H](C)[N@H+](C)CC(N)=O ZINC001448094230 913217353 /nfs/dbraw/zinc/21/73/53/913217353.db2.gz RHFCWYUSSPLCEZ-LLVKDONJSA-N 2 2 295.387 -0.072 20 0 CBADLP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H](C)[N@@H+](C)CC(N)=O ZINC001448094230 913217364 /nfs/dbraw/zinc/21/73/64/913217364.db2.gz RHFCWYUSSPLCEZ-LLVKDONJSA-N 2 2 295.387 -0.072 20 0 CBADLP C[N@H+](CCNS(C)(=O)=O)C[C@H]1CCCC[NH2+]C1 ZINC001334763420 888317456 /nfs/dbraw/zinc/31/74/56/888317456.db2.gz RGJXYJVZKTWSAE-NSHDSACASA-N 2 2 263.407 -0.143 20 0 CBADLP C[N@@H+](CCNS(C)(=O)=O)C[C@H]1CCCC[NH2+]C1 ZINC001334763420 888317472 /nfs/dbraw/zinc/31/74/72/888317472.db2.gz RGJXYJVZKTWSAE-NSHDSACASA-N 2 2 263.407 -0.143 20 0 CBADLP O=C(NCCCN1CC[NH2+]CC1)[C@H]1CCn2cc[nH+]c2C1 ZINC001334840208 888342003 /nfs/dbraw/zinc/34/20/03/888342003.db2.gz QGOIMHPAFCZDBX-ZDUSSCGKSA-N 2 2 291.399 -0.143 20 0 CBADLP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)Cc1cnnn1C ZINC001448148642 913240405 /nfs/dbraw/zinc/24/04/05/913240405.db2.gz QIZUTLFEUWHBQR-NEPJUHHUSA-N 2 2 294.403 -0.297 20 0 CBADLP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH+](C)Cc1cnnn1C ZINC001448148642 913240424 /nfs/dbraw/zinc/24/04/24/913240424.db2.gz QIZUTLFEUWHBQR-NEPJUHHUSA-N 2 2 294.403 -0.297 20 0 CBADLP C[C@H](CNC(=O)[C@H]1CC[NH+](C)C1)[N@H+](C)Cc1cnnn1C ZINC001448148642 913240443 /nfs/dbraw/zinc/24/04/43/913240443.db2.gz QIZUTLFEUWHBQR-NEPJUHHUSA-N 2 2 294.403 -0.297 20 0 CBADLP C[C@H](CNC(=O)[C@H]1CC[NH+](C)C1)[N@@H+](C)Cc1cnnn1C ZINC001448148642 913240459 /nfs/dbraw/zinc/24/04/59/913240459.db2.gz QIZUTLFEUWHBQR-NEPJUHHUSA-N 2 2 294.403 -0.297 20 0 CBADLP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@H]2C[C@@H]([NH+]3CCCC3)C2)CC1 ZINC001335520255 888554605 /nfs/dbraw/zinc/55/46/05/888554605.db2.gz SIMOFTUJORFITM-XHSDSOJGSA-N 3 2 296.459 -0.189 20 0 CBADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)NC(=O)CCC[NH+](C)C ZINC001448232760 913260026 /nfs/dbraw/zinc/26/00/26/913260026.db2.gz LJUJQCKJXBDUIN-LLVKDONJSA-N 2 2 295.387 -0.085 20 0 CBADLP CC(C)[N@H+](C)CCC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001335933145 888655772 /nfs/dbraw/zinc/65/57/72/888655772.db2.gz DTHUGYYCVPVIKG-OAHLLOKOSA-N 3 2 286.464 -0.085 20 0 CBADLP CC(C)[N@@H+](C)CCC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001335933145 888655775 /nfs/dbraw/zinc/65/57/75/888655775.db2.gz DTHUGYYCVPVIKG-OAHLLOKOSA-N 3 2 286.464 -0.085 20 0 CBADLP [NH3+]C1(CNC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC001336239287 888725939 /nfs/dbraw/zinc/72/59/39/888725939.db2.gz GQZZGXFZVDUBON-NSHDSACASA-N 2 2 268.361 -0.406 20 0 CBADLP C[C@@H](O)CN(C)C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001336943659 888929207 /nfs/dbraw/zinc/92/92/07/888929207.db2.gz RACWKDYMTMXKGF-SNVBAGLBSA-N 2 2 258.366 -0.568 20 0 CBADLP C[C@@H](C[NH3+])N(C)C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001336962777 888934423 /nfs/dbraw/zinc/93/44/23/888934423.db2.gz CRYKOYXPCIGMIO-JTQLQIEISA-N 3 2 257.382 -0.602 20 0 CBADLP C[C@@H](O)C[N@@H+]1CCN(c2cc(N)[nH+]cn2)[C@@H](C)C1 ZINC001337939541 889100903 /nfs/dbraw/zinc/10/09/03/889100903.db2.gz PEHBWECUOYDJIK-VHSXEESVSA-N 2 2 251.334 -0.050 20 0 CBADLP C[C@@H](O)C[N@H+]1CCN(c2cc(N)[nH+]cn2)[C@@H](C)C1 ZINC001337939541 889100905 /nfs/dbraw/zinc/10/09/05/889100905.db2.gz PEHBWECUOYDJIK-VHSXEESVSA-N 2 2 251.334 -0.050 20 0 CBADLP C[NH2+]C[C@@H](C)NC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001338658331 889185951 /nfs/dbraw/zinc/18/59/51/889185951.db2.gz AKHLGYQKAYOZII-SNVBAGLBSA-N 3 2 257.382 -0.683 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1C[NH2+]CCN1C)Cn1cc[nH+]c1 ZINC001340043931 889368395 /nfs/dbraw/zinc/36/83/95/889368395.db2.gz DIODVRUVKRDJGB-NWDGAFQWSA-N 2 2 265.361 -0.461 20 0 CBADLP C[NH2+]CCCCC(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001340055537 889371606 /nfs/dbraw/zinc/37/16/06/889371606.db2.gz BLMMGPGIWAKCCP-NSHDSACASA-N 2 2 270.377 -0.558 20 0 CBADLP C[NH2+]CCCCC(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001340055537 889371617 /nfs/dbraw/zinc/37/16/17/889371617.db2.gz BLMMGPGIWAKCCP-NSHDSACASA-N 2 2 270.377 -0.558 20 0 CBADLP C[C@@]1(C(=O)NCCCCn2cc[nH+]c2)C[C@@H](O)C[NH2+]1 ZINC001340055457 889372630 /nfs/dbraw/zinc/37/26/30/889372630.db2.gz AEEOQWINGYLORH-YPMHNXCESA-N 2 2 266.345 -0.108 20 0 CBADLP C[NH2+]C[C@H](O)[C@@H](C)C(=O)NCCCn1cc[nH+]c1 ZINC001340138798 889395392 /nfs/dbraw/zinc/39/53/92/889395392.db2.gz GZNJVNQAYJQZKC-MNOVXSKESA-N 2 2 254.334 -0.394 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001448662867 913341684 /nfs/dbraw/zinc/34/16/84/913341684.db2.gz BDPLZDRRGZHRGL-WDEREUQCSA-N 2 2 295.387 -0.087 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001448662867 913341689 /nfs/dbraw/zinc/34/16/89/913341689.db2.gz BDPLZDRRGZHRGL-WDEREUQCSA-N 2 2 295.387 -0.087 20 0 CBADLP C[C@H](CNC(=O)[C@@]1(C)C[C@H](O)C[NH2+]1)Cn1cc[nH+]c1 ZINC001340185150 889404476 /nfs/dbraw/zinc/40/44/76/889404476.db2.gz RRMQQXPUDZCIMS-NTZNESFSSA-N 2 2 266.345 -0.252 20 0 CBADLP [NH3+][C@@H]1C[C@H](C(=O)N2CC[NH+](CCO)CC2)[C@H]2C[C@H]21 ZINC001340295920 889420057 /nfs/dbraw/zinc/42/00/57/889420057.db2.gz FGRMDQBSAVNKRO-WHOHXGKFSA-N 2 2 253.346 -0.894 20 0 CBADLP C[N@@H+]1CCN(C(=O)[C@H]([NH3+])CO)[C@@H](c2ccccc2)C1 ZINC001340319724 889421777 /nfs/dbraw/zinc/42/17/77/889421777.db2.gz LVONJJRRYWHYCJ-CHWSQXEVSA-N 2 2 263.341 -0.179 20 0 CBADLP C[N@H+]1CCN(C(=O)[C@H]([NH3+])CO)[C@@H](c2ccccc2)C1 ZINC001340319724 889421783 /nfs/dbraw/zinc/42/17/83/889421783.db2.gz LVONJJRRYWHYCJ-CHWSQXEVSA-N 2 2 263.341 -0.179 20 0 CBADLP C[NH2+]C1(C(=O)N2CC[NH+](CCOCCOC)CC2)CCC1 ZINC001340554427 889449553 /nfs/dbraw/zinc/44/95/53/889449553.db2.gz BKZUNIQOTJHMIU-UHFFFAOYSA-N 2 2 299.415 -0.064 20 0 CBADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1C[C@@H]1C[NH3+] ZINC001340938894 889516919 /nfs/dbraw/zinc/51/69/19/889516919.db2.gz AOBVYRYVNVRAKT-IJLUTSLNSA-N 2 2 255.362 -0.192 20 0 CBADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1C[C@@H]1C[NH3+] ZINC001340938894 889516923 /nfs/dbraw/zinc/51/69/23/889516923.db2.gz AOBVYRYVNVRAKT-IJLUTSLNSA-N 2 2 255.362 -0.192 20 0 CBADLP C[C@@H](CN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1)[NH2+]CC(N)=O ZINC001448699998 913355467 /nfs/dbraw/zinc/35/54/67/913355467.db2.gz OOUVNRYBPSSXKH-QWRGUYRKSA-N 2 2 293.371 -0.633 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]([NH3+])C(C)(C)O)Cn1cc[nH+]c1 ZINC001341571592 889623212 /nfs/dbraw/zinc/62/32/12/889623212.db2.gz SBRORSGVFQJUHD-VHSXEESVSA-N 2 2 254.334 -0.266 20 0 CBADLP C[NH2+]C[C@H](O)[C@H](C)C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC001341660159 889642789 /nfs/dbraw/zinc/64/27/89/889642789.db2.gz UJEWYDYHCYSNKK-WOPDTQHZSA-N 2 2 268.361 -0.148 20 0 CBADLP Cc1[nH+]ccn1-c1ncccc1CNC(=O)CNCC[NH3+] ZINC001341672941 889646202 /nfs/dbraw/zinc/64/62/02/889646202.db2.gz QPRZVJLVHXFSPX-UHFFFAOYSA-N 2 2 288.355 -0.260 20 0 CBADLP Cc1cccn2cc(CCNC(=O)[C@H]([NH3+])CO)[nH+]c12 ZINC001341716229 889651603 /nfs/dbraw/zinc/65/16/03/889651603.db2.gz YXQCNSWJALVVTB-LLVKDONJSA-N 2 2 262.313 -0.379 20 0 CBADLP C[C@H](CN(C)C(=O)Cc1[nH]cc[nH+]1)[NH2+]CC(=O)N(C)C ZINC001448748970 913367913 /nfs/dbraw/zinc/36/79/13/913367913.db2.gz LEWZCUOKAXJWGS-SNVBAGLBSA-N 2 2 281.360 -0.523 20 0 CBADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)[C@H]([NH3+])CO)C1 ZINC001341732019 889655549 /nfs/dbraw/zinc/65/55/49/889655549.db2.gz JJFDNRJNJDYZCX-GHMZBOCLSA-N 2 2 266.345 -0.479 20 0 CBADLP O=C(/C=C/C[NH+]1CCOCC1)N[C@H]1COC2(C[NH2+]C2)C1 ZINC001342215296 889732804 /nfs/dbraw/zinc/73/28/04/889732804.db2.gz JOKMSOSUZNYRGR-YYRQZUAOSA-N 2 2 281.356 -0.878 20 0 CBADLP CNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001448769939 913376492 /nfs/dbraw/zinc/37/64/92/913376492.db2.gz JHGWFZBNSHLIBM-JTQLQIEISA-N 2 2 295.387 -0.130 20 0 CBADLP CNC(=O)C[NH2+][C@H](C)CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001448769956 913377385 /nfs/dbraw/zinc/37/73/85/913377385.db2.gz JHGWFZBNSHLIBM-SNVBAGLBSA-N 2 2 295.387 -0.130 20 0 CBADLP C[C@@H](CN(C)C(=O)CCCn1cc[nH+]c1)[NH2+]CC(N)=O ZINC001448790081 913383310 /nfs/dbraw/zinc/38/33/10/913383310.db2.gz HHVHFZHJFXUQBH-NSHDSACASA-N 2 2 281.360 -0.415 20 0 CBADLP CC[NH2+][C@@H](CO)CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001448818925 913401085 /nfs/dbraw/zinc/40/10/85/913401085.db2.gz DXQDBQNQAZOCJX-GFCCVEGCSA-N 2 2 280.372 -0.152 20 0 CBADLP [NH3+]C[C@H]1CN(C(=O)C[C@@H]([NH3+])C(F)F)CCCO1 ZINC001343670614 889945039 /nfs/dbraw/zinc/94/50/39/889945039.db2.gz BUDBVRJYFDGUSC-JGVFFNPUSA-N 2 2 251.277 -0.455 20 0 CBADLP C[C@@H](NC(=O)[C@H]1CC[NH2+][C@H]1C)[C@@H]1CN(C)CC[N@@H+]1C ZINC001343487594 889919052 /nfs/dbraw/zinc/91/90/52/889919052.db2.gz FHGWEDGSMNDTMS-RNJOBUHISA-N 2 2 268.405 -0.265 20 0 CBADLP C[C@@H](NC(=O)[C@H]1CC[NH2+][C@H]1C)[C@@H]1CN(C)CC[N@H+]1C ZINC001343487594 889919058 /nfs/dbraw/zinc/91/90/58/889919058.db2.gz FHGWEDGSMNDTMS-RNJOBUHISA-N 2 2 268.405 -0.265 20 0 CBADLP O=C(NC[C@@H]1COCC[NH2+]1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001344358415 890015400 /nfs/dbraw/zinc/01/54/00/890015400.db2.gz XOBXSFRANJMQBW-GHMZBOCLSA-N 2 2 264.329 -0.450 20 0 CBADLP O=C(NC[C@H]1COCC[NH2+]1)[C@H]1CCc2c[nH+]cn2C1 ZINC001344358426 890017585 /nfs/dbraw/zinc/01/75/85/890017585.db2.gz XOBXSFRANJMQBW-QWRGUYRKSA-N 2 2 264.329 -0.450 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)[C@@H]2C[C@]23CC[NH2+]C3)CC1 ZINC001344709242 890055912 /nfs/dbraw/zinc/05/59/12/890055912.db2.gz XLGUTSLWAUBBST-JSGCOSHPSA-N 3 2 266.389 -0.475 20 0 CBADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)C1CC[NH2+]CC1 ZINC001345767612 890161340 /nfs/dbraw/zinc/16/13/40/890161340.db2.gz WEPVENDPOACSMP-GFCCVEGCSA-N 2 2 268.405 -0.262 20 0 CBADLP Cc1cn(C(C)(C)C(=O)NC[C@@H](CO)[NH2+]CCF)c[nH+]1 ZINC001448858751 913427649 /nfs/dbraw/zinc/42/76/49/913427649.db2.gz DRSRMXDXWJCXTH-NSHDSACASA-N 2 2 286.351 -0.037 20 0 CBADLP Cn1c[nH+]c(CCNC(=O)C(=O)N2CC3CC2(C[NH3+])C3)c1 ZINC001347062437 890395832 /nfs/dbraw/zinc/39/58/32/890395832.db2.gz HEPCYTDWRQJXSB-UHFFFAOYSA-N 2 2 291.355 -0.972 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@H](CO)[NH2+]CC[C@@H]1CCCO1 ZINC001448896259 913448994 /nfs/dbraw/zinc/44/89/94/913448994.db2.gz BHALUDVIGYCATH-STQMWFEESA-N 2 2 296.371 -0.412 20 0 CBADLP [NH3+]C[C@@H]1OCC[C@H]1C(=O)NCCCn1cc[nH+]c1 ZINC001347157854 890419173 /nfs/dbraw/zinc/41/91/73/890419173.db2.gz WMESNOCPXVFURP-MNOVXSKESA-N 2 2 252.318 -0.247 20 0 CBADLP Cn1cc[nH+]c1CCNC(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001347745131 890506927 /nfs/dbraw/zinc/50/69/27/890506927.db2.gz JUIQCQOJMJWASS-MFKMUULPSA-N 2 2 266.345 -0.466 20 0 CBADLP Cn1cc[nH+]c1CCNC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001347745131 890506936 /nfs/dbraw/zinc/50/69/36/890506936.db2.gz JUIQCQOJMJWASS-MFKMUULPSA-N 2 2 266.345 -0.466 20 0 CBADLP C[C@H](C(=O)N1CC[C@@](O)(C[NH+](C)C)C1)n1cc[nH+]c1 ZINC001347930549 890536648 /nfs/dbraw/zinc/53/66/48/890536648.db2.gz GXCRTSVAXSIDKE-DGCLKSJQSA-N 2 2 266.345 -0.031 20 0 CBADLP O=C(C[NH+]1CCCC1)NC[C@H](CO)[NH2+]Cc1cscn1 ZINC001448947531 913466041 /nfs/dbraw/zinc/46/60/41/913466041.db2.gz CCXJUUVGKBWPEE-LLVKDONJSA-N 2 2 298.412 -0.194 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@H](CO)[NH2+]Cc1ccccn1 ZINC001448951705 913469643 /nfs/dbraw/zinc/46/96/43/913469643.db2.gz HXXPYMUYYXFRJF-CYBMUJFWSA-N 2 2 289.339 -0.455 20 0 CBADLP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCCCn2cc[nH+]c2)CC1 ZINC001348956741 890738520 /nfs/dbraw/zinc/73/85/20/890738520.db2.gz BMCLUXKWJZQMMV-HNNXBMFYSA-N 3 2 295.431 -0.139 20 0 CBADLP Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001349160528 890769187 /nfs/dbraw/zinc/76/91/87/890769187.db2.gz ZYPNCOJQIHOUCX-CABZTGNLSA-N 2 2 263.345 -0.277 20 0 CBADLP Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1C[N@@H+]2CCN1C[C@@H]2C ZINC001349160528 890769199 /nfs/dbraw/zinc/76/91/99/890769199.db2.gz ZYPNCOJQIHOUCX-CABZTGNLSA-N 2 2 263.345 -0.277 20 0 CBADLP C[C@]1(C[NH3+])CCN(C(=O)c2n[nH]c3c2C[NH2+]CC3)C1 ZINC001349214433 890776332 /nfs/dbraw/zinc/77/63/32/890776332.db2.gz FYKYNRNAZJQFML-CYBMUJFWSA-N 2 2 263.345 -0.134 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001449068983 913493672 /nfs/dbraw/zinc/49/36/72/913493672.db2.gz WRTHOLIKFYVXJY-NEPJUHHUSA-N 2 2 293.371 -0.496 20 0 CBADLP C[C@@H](C(=O)N1CCN(C)C[C@H]1C[NH3+])n1cc[nH+]c1 ZINC001349458216 890818569 /nfs/dbraw/zinc/81/85/69/890818569.db2.gz TVLJFFXPVYBWJF-WDEREUQCSA-N 2 2 251.334 -0.455 20 0 CBADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C[NH3+])CC2)CC1 ZINC001349471383 890820226 /nfs/dbraw/zinc/82/02/26/890820226.db2.gz CLAMPHONMQMMPC-UHFFFAOYSA-N 3 2 254.378 -0.380 20 0 CBADLP C[NH+]1CCN(C2CCN(C(=O)C(C)(C)[NH3+])CC2)CC1 ZINC001349587175 890841379 /nfs/dbraw/zinc/84/13/79/890841379.db2.gz YSJPFYWLUIVLCX-UHFFFAOYSA-N 2 2 268.405 -0.038 20 0 CBADLP O=C(NC[C@H]1C[NH2+]CCO1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001351283415 891126863 /nfs/dbraw/zinc/12/68/63/891126863.db2.gz IZMUACVWGPMLTM-GHMZBOCLSA-N 2 2 264.329 -0.450 20 0 CBADLP O=C(NC[C@@H]1C[NH2+]CCO1)[C@H]1CCn2cc[nH+]c2C1 ZINC001351283417 891127569 /nfs/dbraw/zinc/12/75/69/891127569.db2.gz IZMUACVWGPMLTM-QWRGUYRKSA-N 2 2 264.329 -0.450 20 0 CBADLP CO[C@@H](C)C[NH2+]C[C@H](O)CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001449168529 913527096 /nfs/dbraw/zinc/52/70/96/913527096.db2.gz FPYBHZIBBGAEAS-JQWIXIFHSA-N 2 2 298.387 -0.296 20 0 CBADLP C[C@]1(C[N@H+]2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)CC[NH2+]C1 ZINC001352788831 891295712 /nfs/dbraw/zinc/29/57/12/891295712.db2.gz IEZGFNKXXZTPOL-TUAOUCFPSA-N 2 2 258.387 -0.038 20 0 CBADLP C[C@]1(C[N@@H+]2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)CC[NH2+]C1 ZINC001352788831 891295724 /nfs/dbraw/zinc/29/57/24/891295724.db2.gz IEZGFNKXXZTPOL-TUAOUCFPSA-N 2 2 258.387 -0.038 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC001352839704 891305583 /nfs/dbraw/zinc/30/55/83/891305583.db2.gz QCAXVOWRUFTWQV-SNVBAGLBSA-N 2 2 252.318 -0.245 20 0 CBADLP C[C@H]1C[N@H+](CCO)CCN1CCc1c[nH+]cn1C ZINC001352889592 891314608 /nfs/dbraw/zinc/31/46/08/891314608.db2.gz JUTRRVPYJXENGM-LBPRGKRZSA-N 2 2 252.362 -0.039 20 0 CBADLP C[C@H]1C[N@@H+](CCO)CCN1CCc1c[nH+]cn1C ZINC001352889592 891314624 /nfs/dbraw/zinc/31/46/24/891314624.db2.gz JUTRRVPYJXENGM-LBPRGKRZSA-N 2 2 252.362 -0.039 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]([NH3+])CC1CC1 ZINC001353064396 891351213 /nfs/dbraw/zinc/35/12/13/891351213.db2.gz SVLWWQVSKIWPQQ-PWSUYJOCSA-N 2 2 255.362 -0.049 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]([NH3+])CC1CC1 ZINC001353064396 891351228 /nfs/dbraw/zinc/35/12/28/891351228.db2.gz SVLWWQVSKIWPQQ-PWSUYJOCSA-N 2 2 255.362 -0.049 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]([NH3+])CC1CC1 ZINC001353064392 891352318 /nfs/dbraw/zinc/35/23/18/891352318.db2.gz SVLWWQVSKIWPQQ-CMPLNLGQSA-N 2 2 255.362 -0.049 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@H]([NH3+])CC1CC1 ZINC001353064392 891352336 /nfs/dbraw/zinc/35/23/36/891352336.db2.gz SVLWWQVSKIWPQQ-CMPLNLGQSA-N 2 2 255.362 -0.049 20 0 CBADLP C[C@@H](CC(=O)N(C)C[C@H](O)C[N@H+](C)CCO)n1cc[nH+]c1 ZINC001449234894 913554499 /nfs/dbraw/zinc/55/44/99/913554499.db2.gz QDZFOMPBEMDZLL-QWHCGFSZSA-N 2 2 298.387 -0.422 20 0 CBADLP C[C@@H](CC(=O)N(C)C[C@H](O)C[N@@H+](C)CCO)n1cc[nH+]c1 ZINC001449234894 913554518 /nfs/dbraw/zinc/55/45/18/913554518.db2.gz QDZFOMPBEMDZLL-QWHCGFSZSA-N 2 2 298.387 -0.422 20 0 CBADLP C[NH+](C)CC(C)(C)C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001353266666 891392212 /nfs/dbraw/zinc/39/22/12/891392212.db2.gz LEVGEMUVXQFHBL-AWEZNQCLSA-N 3 2 286.464 -0.228 20 0 CBADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCNC(N)=O ZINC001353365823 891413050 /nfs/dbraw/zinc/41/30/50/891413050.db2.gz HIXBQIVNPCSLQK-CYBMUJFWSA-N 2 2 280.372 -0.263 20 0 CBADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCNC(N)=O ZINC001353365823 891413055 /nfs/dbraw/zinc/41/30/55/891413055.db2.gz HIXBQIVNPCSLQK-CYBMUJFWSA-N 2 2 280.372 -0.263 20 0 CBADLP Cc1[nH+]c[nH]c1CNC(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC001353583773 891449528 /nfs/dbraw/zinc/44/95/28/891449528.db2.gz SVCFLXGEAFCKBQ-LBPRGKRZSA-N 2 2 252.318 -0.161 20 0 CBADLP COCC[N@H+](CCF)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001449347503 913573122 /nfs/dbraw/zinc/57/31/22/913573122.db2.gz VXUWMAUYJUPLDK-GFCCVEGCSA-N 2 2 275.368 -0.028 20 0 CBADLP COCC[N@@H+](CCF)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001449347503 913573140 /nfs/dbraw/zinc/57/31/40/913573140.db2.gz VXUWMAUYJUPLDK-GFCCVEGCSA-N 2 2 275.368 -0.028 20 0 CBADLP COCC[NH+](CCF)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001449347503 913573155 /nfs/dbraw/zinc/57/31/55/913573155.db2.gz VXUWMAUYJUPLDK-GFCCVEGCSA-N 2 2 275.368 -0.028 20 0 CBADLP COCC[NH+](CCF)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001449347503 913573172 /nfs/dbraw/zinc/57/31/72/913573172.db2.gz VXUWMAUYJUPLDK-GFCCVEGCSA-N 2 2 275.368 -0.028 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)CNC(=O)C2CC2)CC1 ZINC001354771129 891615689 /nfs/dbraw/zinc/61/56/89/891615689.db2.gz OZFHOVRBBNLASV-UHFFFAOYSA-N 2 2 268.361 -0.948 20 0 CBADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC001354853882 891623083 /nfs/dbraw/zinc/62/30/83/891623083.db2.gz IRUGBRQPJNCQQP-SRVKXCTJSA-N 2 2 255.362 -0.049 20 0 CBADLP COc1ccccc1[C@H]([NH3+])C(=O)N1CCNCC[NH2+]CC1 ZINC001355028880 891636877 /nfs/dbraw/zinc/63/68/77/891636877.db2.gz URRDKJSPJZQOIH-AWEZNQCLSA-N 2 2 292.383 -0.284 20 0 CBADLP [NH3+][C@H](CC(=O)Nc1cc2n(n1)CC[NH2+]C2)C(F)F ZINC001355427322 891676172 /nfs/dbraw/zinc/67/61/72/891676172.db2.gz XDCLPPJXRZGUTP-SSDOTTSWSA-N 2 2 259.260 -0.093 20 0 CBADLP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@@H]2CC[NH+]2C)CC[N@@H+]1C ZINC001356311064 891745740 /nfs/dbraw/zinc/74/57/40/891745740.db2.gz KGXOWPIVHYHPOV-QWHCGFSZSA-N 2 2 296.415 -0.395 20 0 CBADLP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@@H]2CC[NH+]2C)CC[N@H+]1C ZINC001356311064 891745750 /nfs/dbraw/zinc/74/57/50/891745750.db2.gz KGXOWPIVHYHPOV-QWHCGFSZSA-N 2 2 296.415 -0.395 20 0 CBADLP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)CC[NH+]1C ZINC001356311064 891745760 /nfs/dbraw/zinc/74/57/60/891745760.db2.gz KGXOWPIVHYHPOV-QWHCGFSZSA-N 2 2 296.415 -0.395 20 0 CBADLP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@H+]2C)CC[NH+]1C ZINC001356311064 891745765 /nfs/dbraw/zinc/74/57/65/891745765.db2.gz KGXOWPIVHYHPOV-QWHCGFSZSA-N 2 2 296.415 -0.395 20 0 CBADLP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C[C@H]1[NH3+] ZINC001356436064 891757445 /nfs/dbraw/zinc/75/74/45/891757445.db2.gz DNPWCFQWFCBYIO-GMTAPVOTSA-N 2 2 291.355 -0.880 20 0 CBADLP C[C@@H](C[NH2+]C[C@H](O)C[NH+]1CCCC1)N1CC[NH+](C)CC1 ZINC001356585795 891779481 /nfs/dbraw/zinc/77/94/81/891779481.db2.gz VVAHRZCYLWPGBO-GJZGRUSLSA-N 3 2 284.448 -0.331 20 0 CBADLP COCC[NH2+]CC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC001356607184 891782977 /nfs/dbraw/zinc/78/29/77/891782977.db2.gz OBKSITHRWHWHNQ-LBPRGKRZSA-N 2 2 273.377 -0.599 20 0 CBADLP O=C(NCCCN1CC[NH2+]CC1)[C@H]1[NH2+]CCc2occc21 ZINC001356608156 891783380 /nfs/dbraw/zinc/78/33/80/891783380.db2.gz LQASCYWVQPSFRL-AWEZNQCLSA-N 2 2 292.383 -0.122 20 0 CBADLP CC1(C)C[N@H+](CCNC(=O)C23CC(C2)C[NH2+]3)CCO1 ZINC001357384023 891882852 /nfs/dbraw/zinc/88/28/52/891882852.db2.gz DIDRINKXDNHVKK-UHFFFAOYSA-N 2 2 267.373 -0.035 20 0 CBADLP CC1(C)C[N@@H+](CCNC(=O)C23CC(C2)C[NH2+]3)CCO1 ZINC001357384023 891882859 /nfs/dbraw/zinc/88/28/59/891882859.db2.gz DIDRINKXDNHVKK-UHFFFAOYSA-N 2 2 267.373 -0.035 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC001361920490 892313770 /nfs/dbraw/zinc/31/37/70/892313770.db2.gz AEVMLBJZBYOWPE-UHFFFAOYSA-N 2 2 293.371 -0.528 20 0 CBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@]1(O)CCOC1 ZINC001362041170 892389255 /nfs/dbraw/zinc/38/92/55/892389255.db2.gz PQTDPLICHYERNO-HNNXBMFYSA-N 2 2 299.415 -0.378 20 0 CBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@]1(O)CCOC1 ZINC001362041170 892389272 /nfs/dbraw/zinc/38/92/72/892389272.db2.gz PQTDPLICHYERNO-HNNXBMFYSA-N 2 2 299.415 -0.378 20 0 CBADLP C[C@@H](NC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O)[C@@H]1C[NH+](C)CCO1 ZINC001362104674 892437069 /nfs/dbraw/zinc/43/70/69/892437069.db2.gz MMUTVKWTUXJXLU-SYQHCUMBSA-N 2 2 299.415 -0.333 20 0 CBADLP C[C@@H](NC(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O)[C@@H]1C[NH+](C)CCO1 ZINC001362104674 892437074 /nfs/dbraw/zinc/43/70/74/892437074.db2.gz MMUTVKWTUXJXLU-SYQHCUMBSA-N 2 2 299.415 -0.333 20 0 CBADLP C[C@@H](NC(=O)C[NH+](C)[C@@H]1CCC[C@H]1O)[C@@H]1C[N@H+](C)CCO1 ZINC001362104674 892437078 /nfs/dbraw/zinc/43/70/78/892437078.db2.gz MMUTVKWTUXJXLU-SYQHCUMBSA-N 2 2 299.415 -0.333 20 0 CBADLP C[C@@H](NC(=O)C[NH+](C)[C@@H]1CCC[C@H]1O)[C@@H]1C[N@@H+](C)CCO1 ZINC001362104674 892437081 /nfs/dbraw/zinc/43/70/81/892437081.db2.gz MMUTVKWTUXJXLU-SYQHCUMBSA-N 2 2 299.415 -0.333 20 0 CBADLP CC[N@@H+]1CC[C@H]1C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC001362120136 892449469 /nfs/dbraw/zinc/44/94/69/892449469.db2.gz XLGAWHRKACLPGS-ZDUSSCGKSA-N 2 2 296.415 -0.251 20 0 CBADLP CC[N@H+]1CC[C@H]1C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC001362120136 892449482 /nfs/dbraw/zinc/44/94/82/892449482.db2.gz XLGAWHRKACLPGS-ZDUSSCGKSA-N 2 2 296.415 -0.251 20 0 CBADLP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CC[NH+]2C[C@@H](F)C[C@H]2C1 ZINC001362488949 892721161 /nfs/dbraw/zinc/72/11/61/892721161.db2.gz HHKIVRDRCRDSNM-CIQGVGRVSA-N 2 2 285.363 -0.304 20 0 CBADLP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CC[NH+]2C[C@@H](F)C[C@H]2C1 ZINC001362488949 892721167 /nfs/dbraw/zinc/72/11/67/892721167.db2.gz HHKIVRDRCRDSNM-CIQGVGRVSA-N 2 2 285.363 -0.304 20 0 CBADLP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)N1CC[N@@H+]2C[C@@H](F)C[C@H]2C1 ZINC001362488949 892721171 /nfs/dbraw/zinc/72/11/71/892721171.db2.gz HHKIVRDRCRDSNM-CIQGVGRVSA-N 2 2 285.363 -0.304 20 0 CBADLP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)N1CC[N@H+]2C[C@@H](F)C[C@H]2C1 ZINC001362488949 892721176 /nfs/dbraw/zinc/72/11/76/892721176.db2.gz HHKIVRDRCRDSNM-CIQGVGRVSA-N 2 2 285.363 -0.304 20 0 CBADLP CCC[N@H+](C)CC(=O)NC1CN(C(=O)Cn2cc[nH+]c2)C1 ZINC001450447971 913695063 /nfs/dbraw/zinc/69/50/63/913695063.db2.gz QSALUJXTUKKKEJ-UHFFFAOYSA-N 2 2 293.371 -0.448 20 0 CBADLP CCC[N@@H+](C)CC(=O)NC1CN(C(=O)Cn2cc[nH+]c2)C1 ZINC001450447971 913695072 /nfs/dbraw/zinc/69/50/72/913695072.db2.gz QSALUJXTUKKKEJ-UHFFFAOYSA-N 2 2 293.371 -0.448 20 0 CBADLP O=C(C1C[NH+]([C@@H]2CCOC2)C1)N1CC[N@@H+]2C[C@@H](F)C[C@H]2C1 ZINC001362620513 892852085 /nfs/dbraw/zinc/85/20/85/892852085.db2.gz PXYCKJOYYCXDBV-MJBXVCDLSA-N 2 2 297.374 -0.038 20 0 CBADLP O=C(C1C[NH+]([C@@H]2CCOC2)C1)N1CC[N@H+]2C[C@@H](F)C[C@H]2C1 ZINC001362620513 892852103 /nfs/dbraw/zinc/85/21/03/892852103.db2.gz PXYCKJOYYCXDBV-MJBXVCDLSA-N 2 2 297.374 -0.038 20 0 CBADLP CNC(=O)CN1CCC[N@H+](CCn2cc[nH+]c2C)CC1 ZINC001363317412 893578437 /nfs/dbraw/zinc/57/84/37/893578437.db2.gz KZIRYPAAPFTUOE-UHFFFAOYSA-N 2 2 279.388 -0.055 20 0 CBADLP CNC(=O)CN1CCC[N@@H+](CCn2cc[nH+]c2C)CC1 ZINC001363317412 893578455 /nfs/dbraw/zinc/57/84/55/893578455.db2.gz KZIRYPAAPFTUOE-UHFFFAOYSA-N 2 2 279.388 -0.055 20 0 CBADLP C[C@H](CN(C)C(=O)CC[NH+](C)C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001451224111 913785332 /nfs/dbraw/zinc/78/53/32/913785332.db2.gz XWPSGDCGAHHJGT-LLVKDONJSA-N 2 2 295.387 -0.133 20 0 CBADLP CN(C)C(=O)C[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC001363361087 893614841 /nfs/dbraw/zinc/61/48/41/893614841.db2.gz SLAAXOIFQDUJAI-UHFFFAOYSA-N 2 2 292.387 -0.594 20 0 CBADLP C[NH+]1CCC2(CCC[N@@H+]2Cc2cn(CC(N)=O)nn2)CC1 ZINC001363579472 893813283 /nfs/dbraw/zinc/81/32/83/893813283.db2.gz KJPFEQJKCNUOHP-UHFFFAOYSA-N 2 2 292.387 -0.176 20 0 CBADLP C[NH+]1CCC2(CCC[N@H+]2Cc2cn(CC(N)=O)nn2)CC1 ZINC001363579472 893813301 /nfs/dbraw/zinc/81/33/01/893813301.db2.gz KJPFEQJKCNUOHP-UHFFFAOYSA-N 2 2 292.387 -0.176 20 0 CBADLP CCN(CCC[NH+](C)C)S(=O)(=O)N1CC[NH+](C)CC1 ZINC001363878526 894076236 /nfs/dbraw/zinc/07/62/36/894076236.db2.gz GNFJBUGEGNIQFS-UHFFFAOYSA-N 2 2 292.449 -0.248 20 0 CBADLP CC[NH+]1CCC(C[NH+]2CC(NS(C)(=O)=O)C2)CC1 ZINC001363922926 894097716 /nfs/dbraw/zinc/09/77/16/894097716.db2.gz DQULAFGHQITOSB-UHFFFAOYSA-N 2 2 275.418 -0.048 20 0 CBADLP C[NH+]1CCC(NC(=O)C[N@@H+]2CCCN(C(N)=O)CC2)CC1 ZINC001364333488 894343000 /nfs/dbraw/zinc/34/30/00/894343000.db2.gz NSSWEDVVWIVWKL-UHFFFAOYSA-N 2 2 297.403 -0.717 20 0 CBADLP C[NH+]1CCC(NC(=O)C[N@H+]2CCCN(C(N)=O)CC2)CC1 ZINC001364333488 894343018 /nfs/dbraw/zinc/34/30/18/894343018.db2.gz NSSWEDVVWIVWKL-UHFFFAOYSA-N 2 2 297.403 -0.717 20 0 CBADLP C[C@@H]1C[N@H+](CCN2CC[NH+](CCO)C[C@@H]2C)CCO1 ZINC001364445995 894429826 /nfs/dbraw/zinc/42/98/26/894429826.db2.gz NMYOFDGMZJBKNX-UONOGXRCSA-N 2 2 271.405 -0.295 20 0 CBADLP C[C@@H]1C[N@@H+](CCN2CC[NH+](CCO)C[C@@H]2C)CCO1 ZINC001364445995 894429831 /nfs/dbraw/zinc/42/98/31/894429831.db2.gz NMYOFDGMZJBKNX-UONOGXRCSA-N 2 2 271.405 -0.295 20 0 CBADLP C[C@@H]1C[NH+](CCN2CC[N@H+](CCO)C[C@@H]2C)CCO1 ZINC001364445995 894429837 /nfs/dbraw/zinc/42/98/37/894429837.db2.gz NMYOFDGMZJBKNX-UONOGXRCSA-N 2 2 271.405 -0.295 20 0 CBADLP C[C@@H]1C[NH+](CCN2CC[N@@H+](CCO)C[C@@H]2C)CCO1 ZINC001364445995 894429844 /nfs/dbraw/zinc/42/98/44/894429844.db2.gz NMYOFDGMZJBKNX-UONOGXRCSA-N 2 2 271.405 -0.295 20 0 CBADLP C[C@@H]1CN(C(=O)CN2CC[NH+](C)CC2)C[C@H](C)[N@H+]1CCO ZINC001364507238 894467023 /nfs/dbraw/zinc/46/70/23/894467023.db2.gz MFTSVFZVQMZPFX-OKILXGFUSA-N 2 2 298.431 -0.853 20 0 CBADLP C[C@@H]1CN(C(=O)CN2CC[NH+](C)CC2)C[C@H](C)[N@@H+]1CCO ZINC001364507238 894467035 /nfs/dbraw/zinc/46/70/35/894467035.db2.gz MFTSVFZVQMZPFX-OKILXGFUSA-N 2 2 298.431 -0.853 20 0 CBADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCN2CCOC[C@]2(CO)C1 ZINC001364529202 894476925 /nfs/dbraw/zinc/47/69/25/894476925.db2.gz KAOZCHVULQYLES-LSDHHAIUSA-N 2 2 283.416 -0.150 20 0 CBADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCN2CCOC[C@]2(CO)C1 ZINC001364529202 894476935 /nfs/dbraw/zinc/47/69/35/894476935.db2.gz KAOZCHVULQYLES-LSDHHAIUSA-N 2 2 283.416 -0.150 20 0 CBADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CCN2CCOC[C@]2(CO)C1 ZINC001364529202 894476941 /nfs/dbraw/zinc/47/69/41/894476941.db2.gz KAOZCHVULQYLES-LSDHHAIUSA-N 2 2 283.416 -0.150 20 0 CBADLP C[NH+]1CCC[C@H]1CC[N@H+]1CCN2CCOC[C@]2(CO)C1 ZINC001364529202 894476950 /nfs/dbraw/zinc/47/69/50/894476950.db2.gz KAOZCHVULQYLES-LSDHHAIUSA-N 2 2 283.416 -0.150 20 0 CBADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCN2CCOC[C@@]2(CO)C1 ZINC001364529181 894477597 /nfs/dbraw/zinc/47/75/97/894477597.db2.gz KAOZCHVULQYLES-CABCVRRESA-N 2 2 283.416 -0.150 20 0 CBADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCN2CCOC[C@@]2(CO)C1 ZINC001364529181 894477600 /nfs/dbraw/zinc/47/76/00/894477600.db2.gz KAOZCHVULQYLES-CABCVRRESA-N 2 2 283.416 -0.150 20 0 CBADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCN2CCOC[C@@]2(CO)C1 ZINC001364529181 894477603 /nfs/dbraw/zinc/47/76/03/894477603.db2.gz KAOZCHVULQYLES-CABCVRRESA-N 2 2 283.416 -0.150 20 0 CBADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCN2CCOC[C@@]2(CO)C1 ZINC001364529181 894477606 /nfs/dbraw/zinc/47/76/06/894477606.db2.gz KAOZCHVULQYLES-CABCVRRESA-N 2 2 283.416 -0.150 20 0 CBADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCN2CCOC[C@@]2(CO)C1 ZINC001364529192 894477993 /nfs/dbraw/zinc/47/79/93/894477993.db2.gz KAOZCHVULQYLES-GJZGRUSLSA-N 2 2 283.416 -0.150 20 0 CBADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCN2CCOC[C@@]2(CO)C1 ZINC001364529192 894478001 /nfs/dbraw/zinc/47/80/01/894478001.db2.gz KAOZCHVULQYLES-GJZGRUSLSA-N 2 2 283.416 -0.150 20 0 CBADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CCN2CCOC[C@@]2(CO)C1 ZINC001364529192 894478018 /nfs/dbraw/zinc/47/80/18/894478018.db2.gz KAOZCHVULQYLES-GJZGRUSLSA-N 2 2 283.416 -0.150 20 0 CBADLP C[NH+]1CCC[C@H]1CC[N@H+]1CCN2CCOC[C@@]2(CO)C1 ZINC001364529192 894478030 /nfs/dbraw/zinc/47/80/30/894478030.db2.gz KAOZCHVULQYLES-GJZGRUSLSA-N 2 2 283.416 -0.150 20 0 CBADLP C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1nnnn1C ZINC001364541693 894487277 /nfs/dbraw/zinc/48/72/77/894487277.db2.gz CUJMEJAHVYRMRO-JTQLQIEISA-N 2 2 281.364 -0.975 20 0 CBADLP C[C@@H](CNS(=O)(=O)N1CC[NH+](C)CC1)[N@H+](C)C1CC1 ZINC001364794547 894622908 /nfs/dbraw/zinc/62/29/08/894622908.db2.gz FPFUMVFPHWKJSX-NSHDSACASA-N 2 2 290.433 -0.449 20 0 CBADLP C[C@@H](CNS(=O)(=O)N1CC[NH+](C)CC1)[N@@H+](C)C1CC1 ZINC001364794547 894622916 /nfs/dbraw/zinc/62/29/16/894622916.db2.gz FPFUMVFPHWKJSX-NSHDSACASA-N 2 2 290.433 -0.449 20 0 CBADLP C[C@@H]1C[N@H+](CCO)CCN1CC[NH+]1CCOC[C@@H]1C ZINC001365308720 894889425 /nfs/dbraw/zinc/88/94/25/894889425.db2.gz FRMMBWUEBGTPBD-KGLIPLIRSA-N 2 2 271.405 -0.295 20 0 CBADLP C[C@@H]1C[N@@H+](CCO)CCN1CC[NH+]1CCOC[C@@H]1C ZINC001365308720 894889441 /nfs/dbraw/zinc/88/94/41/894889441.db2.gz FRMMBWUEBGTPBD-KGLIPLIRSA-N 2 2 271.405 -0.295 20 0 CBADLP C[C@@H]1C[NH+](CCO)CCN1CC[N@H+]1CCOC[C@@H]1C ZINC001365308720 894889460 /nfs/dbraw/zinc/88/94/60/894889460.db2.gz FRMMBWUEBGTPBD-KGLIPLIRSA-N 2 2 271.405 -0.295 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+]([C@H](C)C(N)=O)C1 ZINC001366006756 895171598 /nfs/dbraw/zinc/17/15/98/895171598.db2.gz VZDCIEJFEUEFNA-MNOVXSKESA-N 2 2 270.377 -0.609 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[NH+]([C@H](C)C(N)=O)C1 ZINC001366006756 895171604 /nfs/dbraw/zinc/17/16/04/895171604.db2.gz VZDCIEJFEUEFNA-MNOVXSKESA-N 2 2 270.377 -0.609 20 0 CBADLP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001366006756 895171611 /nfs/dbraw/zinc/17/16/11/895171611.db2.gz VZDCIEJFEUEFNA-MNOVXSKESA-N 2 2 270.377 -0.609 20 0 CBADLP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001366006756 895171617 /nfs/dbraw/zinc/17/16/17/895171617.db2.gz VZDCIEJFEUEFNA-MNOVXSKESA-N 2 2 270.377 -0.609 20 0 CBADLP C[C@H]([NH2+]C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1)C(N)=O ZINC001366222697 895225269 /nfs/dbraw/zinc/22/52/69/895225269.db2.gz BAMVCVSEPICVKB-NWDGAFQWSA-N 2 2 293.371 -0.272 20 0 CBADLP CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001366330999 895280880 /nfs/dbraw/zinc/28/08/80/895280880.db2.gz OCLFYJLSGMTPBT-QWRGUYRKSA-N 2 2 295.387 -0.181 20 0 CBADLP CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001366330997 895282981 /nfs/dbraw/zinc/28/29/81/895282981.db2.gz OCLFYJLSGMTPBT-MNOVXSKESA-N 2 2 295.387 -0.181 20 0 CBADLP CC[C@@H]([NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1)C(N)=O ZINC001366402514 895314134 /nfs/dbraw/zinc/31/41/34/895314134.db2.gz ALPQXNPEOOUQGV-CMPLNLGQSA-N 2 2 293.371 -0.346 20 0 CBADLP CNC(=O)C[NH2+][C@H]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001366443397 895322750 /nfs/dbraw/zinc/32/27/50/895322750.db2.gz YBYBQJKPEUDIEK-NWDGAFQWSA-N 2 2 293.371 -0.354 20 0 CBADLP C[C@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+][C@H]1CCNC1=O ZINC001366510874 895340819 /nfs/dbraw/zinc/34/08/19/895340819.db2.gz UCIVBTSMEYLXHE-MNOVXSKESA-N 2 2 279.344 -0.744 20 0 CBADLP C[C@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]Cc1nnn(C)n1 ZINC001366513072 895342561 /nfs/dbraw/zinc/34/25/61/895342561.db2.gz YCKCZYOWRZRUDB-LLVKDONJSA-N 2 2 295.391 -0.710 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)Cn1c[nH+]cc1C ZINC001366550200 895378272 /nfs/dbraw/zinc/37/82/72/895378272.db2.gz JIYZNMLYPTVPIH-LLVKDONJSA-N 2 2 281.360 -0.626 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)Cn1c[nH+]cc1C ZINC001366550200 895378285 /nfs/dbraw/zinc/37/82/85/895378285.db2.gz JIYZNMLYPTVPIH-LLVKDONJSA-N 2 2 281.360 -0.626 20 0 CBADLP C[C@@H](C(=O)NCC[N@H+](C)CC(N)=O)[NH+]1CCCCCC1 ZINC001366570230 895390152 /nfs/dbraw/zinc/39/01/52/895390152.db2.gz KOEDEPIOFMCWDU-LBPRGKRZSA-N 2 2 284.404 -0.216 20 0 CBADLP C[C@@H](C(=O)NCC[N@@H+](C)CC(N)=O)[NH+]1CCCCCC1 ZINC001366570230 895390167 /nfs/dbraw/zinc/39/01/67/895390167.db2.gz KOEDEPIOFMCWDU-LBPRGKRZSA-N 2 2 284.404 -0.216 20 0 CBADLP COC[C@H](O)C[N@H+](C)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001366579305 895397789 /nfs/dbraw/zinc/39/77/89/895397789.db2.gz QVHIDZREDZYPLP-SNVBAGLBSA-N 2 2 270.333 -0.993 20 0 CBADLP COC[C@H](O)C[N@@H+](C)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001366579305 895397805 /nfs/dbraw/zinc/39/78/05/895397805.db2.gz QVHIDZREDZYPLP-SNVBAGLBSA-N 2 2 270.333 -0.993 20 0 CBADLP CC(C)[C@@H](C(=O)NC[C@H]1CCC[N@H+]1CC(N)=O)[NH+](C)C ZINC001366653388 895421104 /nfs/dbraw/zinc/42/11/04/895421104.db2.gz RMCVWDVJLYIZHS-YPMHNXCESA-N 2 2 284.404 -0.362 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001366674929 895425822 /nfs/dbraw/zinc/42/58/22/895425822.db2.gz GBBQYDHFCTVUBJ-WDEREUQCSA-N 2 2 279.344 -0.663 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001366674929 895425832 /nfs/dbraw/zinc/42/58/32/895425832.db2.gz GBBQYDHFCTVUBJ-WDEREUQCSA-N 2 2 279.344 -0.663 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001366674829 895427135 /nfs/dbraw/zinc/42/71/35/895427135.db2.gz IQDNVCJOJXZJHT-QWHCGFSZSA-N 2 2 296.415 -0.203 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+](CCNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001366759191 895450009 /nfs/dbraw/zinc/45/00/09/895450009.db2.gz HBOFKXNSZCKBLU-LBPRGKRZSA-N 2 2 293.371 -0.272 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+](CCNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001366759191 895450013 /nfs/dbraw/zinc/45/00/13/895450013.db2.gz HBOFKXNSZCKBLU-LBPRGKRZSA-N 2 2 293.371 -0.272 20 0 CBADLP CN(CC[NH2+][C@H]1CCCNC1=O)C(=O)CCc1c[nH]c[nH+]1 ZINC001366766283 895452675 /nfs/dbraw/zinc/45/26/75/895452675.db2.gz IODIXIGIMHCKEU-LBPRGKRZSA-N 2 2 293.371 -0.331 20 0 CBADLP CN(CC[NH2+][C@H]1CCCNC1=O)C(=O)CCc1c[nH+]c[nH]1 ZINC001366766283 895452687 /nfs/dbraw/zinc/45/26/87/895452687.db2.gz IODIXIGIMHCKEU-LBPRGKRZSA-N 2 2 293.371 -0.331 20 0 CBADLP C[C@H]([NH2+]CC(N)=O)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001366784440 895460730 /nfs/dbraw/zinc/46/07/30/895460730.db2.gz ZFRBUXYOKXDREK-JTQLQIEISA-N 2 2 293.371 -0.346 20 0 CBADLP COC[C@@H](O)C[NH+]1CC(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001366937709 895495204 /nfs/dbraw/zinc/49/52/04/895495204.db2.gz APHAAJZSPMKMQQ-AAEUAGOBSA-N 2 2 285.388 -0.864 20 0 CBADLP COC[C@@H](O)C[NH+]1CC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001366937709 895495214 /nfs/dbraw/zinc/49/52/14/895495214.db2.gz APHAAJZSPMKMQQ-AAEUAGOBSA-N 2 2 285.388 -0.864 20 0 CBADLP COC[C@H](O)C[NH+]1CC(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001366943923 895499476 /nfs/dbraw/zinc/49/94/76/895499476.db2.gz JNRDVGJTXWGMGB-CQSZACIVSA-N 2 2 299.415 -0.474 20 0 CBADLP CC[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CCn1cncn1 ZINC001367121832 895570396 /nfs/dbraw/zinc/57/03/96/895570396.db2.gz DQHQRPWRZPADFL-LLVKDONJSA-N 2 2 291.359 -0.272 20 0 CBADLP CC[C@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+][C@@H](CC)C(N)=O ZINC001367137644 895574289 /nfs/dbraw/zinc/57/42/89/895574289.db2.gz LMSHFYCMNKAKKR-PWSUYJOCSA-N 2 2 295.387 -0.289 20 0 CBADLP CNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001367225844 895585076 /nfs/dbraw/zinc/58/50/76/895585076.db2.gz CSMPKQUSRDGPPP-SNVBAGLBSA-N 2 2 279.344 -0.721 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H](C)CNC(=O)CCc1[nH+]ccn1C ZINC001367259221 895598934 /nfs/dbraw/zinc/59/89/34/895598934.db2.gz AWVKHARDLHPKHM-LLVKDONJSA-N 2 2 295.387 -0.559 20 0 CBADLP CC[C@H](C(=O)NC[C@H]1C[N@H+](CCCO)CCO1)[NH+](C)C ZINC001367306508 895613365 /nfs/dbraw/zinc/61/33/65/895613365.db2.gz YGQSQPDSSNKCGV-QWHCGFSZSA-N 2 2 287.404 -0.474 20 0 CBADLP CC[C@H](C(=O)NC[C@H]1C[N@@H+](CCCO)CCO1)[NH+](C)C ZINC001367306508 895613369 /nfs/dbraw/zinc/61/33/69/895613369.db2.gz YGQSQPDSSNKCGV-QWHCGFSZSA-N 2 2 287.404 -0.474 20 0 CBADLP CCC[N@H+](C)CC(=O)N1CCC2(C[NH+](CC(N)=O)C2)CC1 ZINC001367333712 895614705 /nfs/dbraw/zinc/61/47/05/895614705.db2.gz HYNOZQJDCGEHSF-UHFFFAOYSA-N 2 2 296.415 -0.262 20 0 CBADLP CCC[N@@H+](C)CC(=O)N1CCC2(C[NH+](CC(N)=O)C2)CC1 ZINC001367333712 895614710 /nfs/dbraw/zinc/61/47/10/895614710.db2.gz HYNOZQJDCGEHSF-UHFFFAOYSA-N 2 2 296.415 -0.262 20 0 CBADLP CNC(=O)C[N@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001367535978 895657958 /nfs/dbraw/zinc/65/79/58/895657958.db2.gz SDIAIGFDOOSCFR-STQMWFEESA-N 2 2 298.431 -0.147 20 0 CBADLP CNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001367535978 895657960 /nfs/dbraw/zinc/65/79/60/895657960.db2.gz SDIAIGFDOOSCFR-STQMWFEESA-N 2 2 298.431 -0.147 20 0 CBADLP CNC(=O)C[NH+](C)CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001367535978 895657964 /nfs/dbraw/zinc/65/79/64/895657964.db2.gz SDIAIGFDOOSCFR-STQMWFEESA-N 2 2 298.431 -0.147 20 0 CBADLP CNC(=O)C[NH+](C)CCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001367535978 895657965 /nfs/dbraw/zinc/65/79/65/895657965.db2.gz SDIAIGFDOOSCFR-STQMWFEESA-N 2 2 298.431 -0.147 20 0 CBADLP CCN(C)C(=O)C[N@H+](C)CCN(C)C(=O)C[NH+]1CCCC1 ZINC001367549621 895660039 /nfs/dbraw/zinc/66/00/39/895660039.db2.gz DQUDOGQXTQCDLL-UHFFFAOYSA-N 2 2 298.431 -0.049 20 0 CBADLP CCN(C)C(=O)C[N@@H+](C)CCN(C)C(=O)C[NH+]1CCCC1 ZINC001367549621 895660054 /nfs/dbraw/zinc/66/00/54/895660054.db2.gz DQUDOGQXTQCDLL-UHFFFAOYSA-N 2 2 298.431 -0.049 20 0 CBADLP COC[C@H](C)[NH2+]C[C@H](O)CNC(=O)Cc1c[nH+]cn1C ZINC001367617690 895705790 /nfs/dbraw/zinc/70/57/90/895705790.db2.gz GEXFNKRNLHWBLD-JQWIXIFHSA-N 2 2 284.360 -0.936 20 0 CBADLP C[C@H](C[NH2+]Cc1ccn(C)n1)NC(=O)Cc1c[nH+]cn1C ZINC001367706457 895760065 /nfs/dbraw/zinc/76/00/65/895760065.db2.gz MQWKPKUVSAJIIT-LLVKDONJSA-N 2 2 290.371 -0.009 20 0 CBADLP C[C@@H](C[NH2+][C@@H](C)C(=O)NC1CC1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001367762732 895799866 /nfs/dbraw/zinc/79/98/66/895799866.db2.gz GYWUWRSANFORIM-UWVGGRQHSA-N 2 2 293.371 -0.286 20 0 CBADLP CC(C)OCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001367936927 895860425 /nfs/dbraw/zinc/86/04/25/895860425.db2.gz OTASIGFNOBROJW-KBPBESRZSA-N 2 2 299.415 -0.068 20 0 CBADLP CC(C)OCC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001367936927 895860436 /nfs/dbraw/zinc/86/04/36/895860436.db2.gz OTASIGFNOBROJW-KBPBESRZSA-N 2 2 299.415 -0.068 20 0 CBADLP CC(C)OCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001367936927 895860451 /nfs/dbraw/zinc/86/04/51/895860451.db2.gz OTASIGFNOBROJW-KBPBESRZSA-N 2 2 299.415 -0.068 20 0 CBADLP CC(C)OCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001367936927 895860467 /nfs/dbraw/zinc/86/04/67/895860467.db2.gz OTASIGFNOBROJW-KBPBESRZSA-N 2 2 299.415 -0.068 20 0 CBADLP CN(C)C(=O)C[N@@H+]1CC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001367961084 895869057 /nfs/dbraw/zinc/86/90/57/895869057.db2.gz OBZIYDMXHOWOLX-LBPRGKRZSA-N 2 2 284.404 -0.393 20 0 CBADLP CN(C)C(=O)C[N@H+]1CC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001367961084 895869060 /nfs/dbraw/zinc/86/90/60/895869060.db2.gz OBZIYDMXHOWOLX-LBPRGKRZSA-N 2 2 284.404 -0.393 20 0 CBADLP COC[C@@H](O)C[N@@H+]1CC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001367988050 895882307 /nfs/dbraw/zinc/88/23/07/895882307.db2.gz WKZDOLQDDIDNPM-AAEUAGOBSA-N 2 2 296.371 -0.840 20 0 CBADLP COC[C@@H](O)C[N@H+]1CC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001367988050 895882312 /nfs/dbraw/zinc/88/23/12/895882312.db2.gz WKZDOLQDDIDNPM-AAEUAGOBSA-N 2 2 296.371 -0.840 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@H]1C[NH2+]CC(N)=O ZINC001368124750 895918833 /nfs/dbraw/zinc/91/88/33/895918833.db2.gz LXVTVIUFXYEKFD-JTQLQIEISA-N 2 2 279.344 -0.972 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC[C@@]1(O)CC[N@H+](CC2CC2)C1 ZINC001368282787 895962435 /nfs/dbraw/zinc/96/24/35/895962435.db2.gz UWPRLILCRKHRNY-HNNXBMFYSA-N 2 2 292.383 -0.074 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC[C@@]1(O)CC[N@@H+](CC2CC2)C1 ZINC001368282787 895962447 /nfs/dbraw/zinc/96/24/47/895962447.db2.gz UWPRLILCRKHRNY-HNNXBMFYSA-N 2 2 292.383 -0.074 20 0 CBADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1(O)C[NH+](C[C@@H](C)O)C1 ZINC001368294554 895970036 /nfs/dbraw/zinc/97/00/36/895970036.db2.gz LTLWKVFLYJCHRM-CHWSQXEVSA-N 2 2 299.415 -0.597 20 0 CBADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1(O)C[NH+](C[C@@H](C)O)C1 ZINC001368294554 895970042 /nfs/dbraw/zinc/97/00/42/895970042.db2.gz LTLWKVFLYJCHRM-CHWSQXEVSA-N 2 2 299.415 -0.597 20 0 CBADLP C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C[NH2+]CC(N)=O ZINC001368351701 895985268 /nfs/dbraw/zinc/98/52/68/895985268.db2.gz MRGIZENKMVFYPW-UWVGGRQHSA-N 2 2 279.344 -0.878 20 0 CBADLP CN(C[C@H]1CC[N@@H+]1[C@H]1CCN(C)C1=O)C(=O)CC[NH+](C)C ZINC001368405490 896005302 /nfs/dbraw/zinc/00/53/02/896005302.db2.gz VZFKETNYAZJLOE-OLZOCXBDSA-N 2 2 296.415 -0.299 20 0 CBADLP CN(C[C@H]1CC[N@H+]1[C@H]1CCN(C)C1=O)C(=O)CC[NH+](C)C ZINC001368405490 896005313 /nfs/dbraw/zinc/00/53/13/896005313.db2.gz VZFKETNYAZJLOE-OLZOCXBDSA-N 2 2 296.415 -0.299 20 0 CBADLP COC[C@@H](O)C[NH2+][C@H]1C[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001368503763 896022286 /nfs/dbraw/zinc/02/22/86/896022286.db2.gz RVGAQXDHLRFCJA-LOWVWBTDSA-N 2 2 296.371 -0.556 20 0 CBADLP CNC(=O)C[N@H+](C)CCCN(C)C(=O)Cn1c[nH+]cc1C ZINC001368551929 896035767 /nfs/dbraw/zinc/03/57/67/896035767.db2.gz RVVVJPINNRDYDM-UHFFFAOYSA-N 2 2 295.387 -0.282 20 0 CBADLP CNC(=O)C[N@@H+](C)CCCN(C)C(=O)Cn1c[nH+]cc1C ZINC001368551929 896035777 /nfs/dbraw/zinc/03/57/77/896035777.db2.gz RVVVJPINNRDYDM-UHFFFAOYSA-N 2 2 295.387 -0.282 20 0 CBADLP C[NH+](C)CCCC(=O)NC[C@H]1CCC2(C[NH+](CCO)C2)O1 ZINC001368579791 896041542 /nfs/dbraw/zinc/04/15/42/896041542.db2.gz JNPNTWLERLZFFT-CYBMUJFWSA-N 2 2 299.415 -0.330 20 0 CBADLP C[NH+](C)CCCC(=O)NC[C@@H]1CCC2(C[NH+](CCO)C2)O1 ZINC001368579794 896041821 /nfs/dbraw/zinc/04/18/21/896041821.db2.gz JNPNTWLERLZFFT-ZDUSSCGKSA-N 2 2 299.415 -0.330 20 0 CBADLP C[C@H](O)C[NH2+]CC1(NC(=O)Cn2cc[nH+]c2)CCOCC1 ZINC001368633117 896050987 /nfs/dbraw/zinc/05/09/87/896050987.db2.gz IIOLZRDPCBZBDZ-LBPRGKRZSA-N 2 2 296.371 -0.481 20 0 CBADLP C[C@@H]([NH2+][C@@H]1CC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1)C(N)=O ZINC001368644175 896051257 /nfs/dbraw/zinc/05/12/57/896051257.db2.gz IBPBGLUAUURAIB-OUAUKWLOSA-N 2 2 293.371 -0.300 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC1(CO)CC[NH+](CCCO)CC1 ZINC001368775102 896076915 /nfs/dbraw/zinc/07/69/15/896076915.db2.gz QXAAQZMZADNYFY-UHFFFAOYSA-N 2 2 296.371 -0.791 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]CC1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001368821559 896090873 /nfs/dbraw/zinc/09/08/73/896090873.db2.gz FCUFIQVRWZTLBD-WHXUTIOJSA-N 2 2 293.371 -0.429 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC1CC(C[NH2+]CC(N)=O)C1 ZINC001368824151 896093372 /nfs/dbraw/zinc/09/33/72/896093372.db2.gz UYBPLYXAZHBIEH-UHFFFAOYSA-N 2 2 279.344 -0.770 20 0 CBADLP CNC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001368854462 896100689 /nfs/dbraw/zinc/10/06/89/896100689.db2.gz AIBKRGYJBCGTQM-WDEREUQCSA-N 2 2 281.360 -0.498 20 0 CBADLP CNC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001368854444 896101638 /nfs/dbraw/zinc/10/16/38/896101638.db2.gz AIBKRGYJBCGTQM-MNOVXSKESA-N 2 2 281.360 -0.498 20 0 CBADLP Cc1cn(C(C)(C)C(=O)N[C@@H](C)[C@H](C)[NH2+]CC(N)=O)c[nH+]1 ZINC001368858377 896102147 /nfs/dbraw/zinc/10/21/47/896102147.db2.gz SJYCZIPEFSRTOY-QWRGUYRKSA-N 2 2 295.387 -0.105 20 0 CBADLP CNC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001368896861 896107508 /nfs/dbraw/zinc/10/75/08/896107508.db2.gz MDYDPMWPPDTHHX-ZJUUUORDSA-N 2 2 281.360 -0.809 20 0 CBADLP COC[C@@H](O)C[N@H+](C)[C@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001368992945 896133049 /nfs/dbraw/zinc/13/30/49/896133049.db2.gz CTIQFLRLXBCVGZ-PWSUYJOCSA-N 2 2 298.387 -0.296 20 0 CBADLP COC[C@@H](O)C[N@@H+](C)[C@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001368992945 896133052 /nfs/dbraw/zinc/13/30/52/896133052.db2.gz CTIQFLRLXBCVGZ-PWSUYJOCSA-N 2 2 298.387 -0.296 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC001369143805 896158250 /nfs/dbraw/zinc/15/82/50/896158250.db2.gz OWOSPXYIQGEMSE-XYYAHUGASA-N 2 2 278.356 -0.371 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC001369143805 896158252 /nfs/dbraw/zinc/15/82/52/896158252.db2.gz OWOSPXYIQGEMSE-XYYAHUGASA-N 2 2 278.356 -0.371 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001369153223 896162223 /nfs/dbraw/zinc/16/22/23/896162223.db2.gz ZHACSTJKEAUDPG-HKWIRBFKSA-N 2 2 291.355 -0.880 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001369153223 896162234 /nfs/dbraw/zinc/16/22/34/896162234.db2.gz ZHACSTJKEAUDPG-HKWIRBFKSA-N 2 2 291.355 -0.880 20 0 CBADLP C[C@H](CN(C)C(=O)Cc1[nH]cc[nH+]1)[NH2+]CC(=O)NC1CC1 ZINC001369291679 896186916 /nfs/dbraw/zinc/18/69/16/896186916.db2.gz NMYMPXZJAHJFDV-SNVBAGLBSA-N 2 2 293.371 -0.333 20 0 CBADLP C[C@@H](CN(C)C(=O)Cc1[nH]cc[nH+]1)[NH2+]CC(=O)NC1CC1 ZINC001369291672 896187135 /nfs/dbraw/zinc/18/71/35/896187135.db2.gz NMYMPXZJAHJFDV-JTQLQIEISA-N 2 2 293.371 -0.333 20 0 CBADLP C[C@H](CN(C)C(=O)Cc1c[nH+]cn1C)[NH2+][C@H]1CCNC1=O ZINC001369295966 896190166 /nfs/dbraw/zinc/19/01/66/896190166.db2.gz WWCYSKDTXAAPCW-PWSUYJOCSA-N 2 2 293.371 -0.712 20 0 CBADLP C[NH+](C)C1(C(=O)NC[C@H](CO)[NH2+]Cc2ccon2)CCC1 ZINC001369321211 896212682 /nfs/dbraw/zinc/21/26/82/896212682.db2.gz CXKMFXNZBAXUIU-GFCCVEGCSA-N 2 2 296.371 -0.274 20 0 CBADLP Cc1cc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CCC[N@H+]2C)no1 ZINC001369356851 896237187 /nfs/dbraw/zinc/23/71/87/896237187.db2.gz XHLRVPHNBQKNJF-QWHCGFSZSA-N 2 2 296.371 -0.356 20 0 CBADLP Cc1cc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CCC[N@@H+]2C)no1 ZINC001369356851 896237203 /nfs/dbraw/zinc/23/72/03/896237203.db2.gz XHLRVPHNBQKNJF-QWHCGFSZSA-N 2 2 296.371 -0.356 20 0 CBADLP CO[C@@H](C)C[NH2+][C@H](CO)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001369369750 896243518 /nfs/dbraw/zinc/24/35/18/896243518.db2.gz HEYYSMOSYWODEU-UWVGGRQHSA-N 2 2 270.333 -0.946 20 0 CBADLP C[N@@H+]1CC[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc2nccs2)C1 ZINC001369379201 896246289 /nfs/dbraw/zinc/24/62/89/896246289.db2.gz DAPCGAPPYXIVQQ-QWRGUYRKSA-N 2 2 298.412 -0.339 20 0 CBADLP C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc2nccs2)C1 ZINC001369379201 896246299 /nfs/dbraw/zinc/24/62/99/896246299.db2.gz DAPCGAPPYXIVQQ-QWRGUYRKSA-N 2 2 298.412 -0.339 20 0 CBADLP CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc1nocc1C)[NH+](C)C ZINC001369374072 896249171 /nfs/dbraw/zinc/24/91/71/896249171.db2.gz ASHNGJAQNYIFEK-AAEUAGOBSA-N 2 2 298.387 -0.110 20 0 CBADLP CO[C@@H](C)C[NH2+]C[C@@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001369486451 896289232 /nfs/dbraw/zinc/28/92/32/896289232.db2.gz SYTUQHNQKGAKLL-WDEREUQCSA-N 2 2 284.360 -0.604 20 0 CBADLP CN(C[C@@H](O)C[N@H+](C)CCCF)C(=O)Cn1cc[nH+]c1 ZINC001369524783 896314930 /nfs/dbraw/zinc/31/49/30/896314930.db2.gz PSAPVAXFYCWBHP-LBPRGKRZSA-N 2 2 286.351 -0.006 20 0 CBADLP CN(C[C@@H](O)C[N@@H+](C)CCCF)C(=O)Cn1cc[nH+]c1 ZINC001369524783 896314946 /nfs/dbraw/zinc/31/49/46/896314946.db2.gz PSAPVAXFYCWBHP-LBPRGKRZSA-N 2 2 286.351 -0.006 20 0 CBADLP CC[C@@H](C(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1)[NH+](C)C ZINC001369857030 896350022 /nfs/dbraw/zinc/35/00/22/896350022.db2.gz PTVKQIBCYKDLBG-QWRGUYRKSA-N 2 2 270.377 -0.608 20 0 CBADLP CC[C@@H](C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1)[NH+](C)C ZINC001369857030 896350032 /nfs/dbraw/zinc/35/00/32/896350032.db2.gz PTVKQIBCYKDLBG-QWRGUYRKSA-N 2 2 270.377 -0.608 20 0 CBADLP CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001370006698 896386572 /nfs/dbraw/zinc/38/65/72/896386572.db2.gz QSODDOBULCUDGX-STQMWFEESA-N 2 2 296.415 -0.203 20 0 CBADLP CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001370006698 896386589 /nfs/dbraw/zinc/38/65/89/896386589.db2.gz QSODDOBULCUDGX-STQMWFEESA-N 2 2 296.415 -0.203 20 0 CBADLP CCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001370006698 896386605 /nfs/dbraw/zinc/38/66/05/896386605.db2.gz QSODDOBULCUDGX-STQMWFEESA-N 2 2 296.415 -0.203 20 0 CBADLP CCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001370006698 896386630 /nfs/dbraw/zinc/38/66/30/896386630.db2.gz QSODDOBULCUDGX-STQMWFEESA-N 2 2 296.415 -0.203 20 0 CBADLP CC[C@H](C(=O)N[C@H]1CC[N@H+](CC(=O)N(C)C)C1)[NH+](C)C ZINC001370043683 896389060 /nfs/dbraw/zinc/38/90/60/896389060.db2.gz KYERIAUQMSALJY-NWDGAFQWSA-N 2 2 284.404 -0.395 20 0 CBADLP CC[C@H](C(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C)C1)[NH+](C)C ZINC001370043683 896389078 /nfs/dbraw/zinc/38/90/78/896389078.db2.gz KYERIAUQMSALJY-NWDGAFQWSA-N 2 2 284.404 -0.395 20 0 CBADLP COC[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001370658715 896467766 /nfs/dbraw/zinc/46/77/66/896467766.db2.gz SNPAVXCDRLBHFW-XQQFMLRXSA-N 2 2 296.371 -0.483 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1nnnn1C ZINC001371235639 896582722 /nfs/dbraw/zinc/58/27/22/896582722.db2.gz JQEIHCCLXHBGKN-WDEREUQCSA-N 2 2 295.391 -0.711 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)[NH2+]Cc1nnnn1C ZINC001371235639 896582735 /nfs/dbraw/zinc/58/27/35/896582735.db2.gz JQEIHCCLXHBGKN-WDEREUQCSA-N 2 2 295.391 -0.711 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NC[C@@H](C)[NH2+]Cc1ncnn1C ZINC001371310651 896590607 /nfs/dbraw/zinc/59/06/07/896590607.db2.gz ZFUQKGFMLAABFC-SNVBAGLBSA-N 2 2 291.359 -0.385 20 0 CBADLP COC[C@H](O)C[NH2+][C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001371366931 896598287 /nfs/dbraw/zinc/59/82/87/896598287.db2.gz WKIWMRHYUBAOJV-MWLCHTKSSA-N 2 2 270.333 -0.946 20 0 CBADLP CCN(C)C(=O)C[NH2+][C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001371386876 896600782 /nfs/dbraw/zinc/60/07/82/896600782.db2.gz FYPBTTGBBKSRLC-SNVBAGLBSA-N 2 2 281.360 -0.475 20 0 CBADLP CC(C)NC(=O)C[NH2+][C@@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001371432613 896609034 /nfs/dbraw/zinc/60/90/34/896609034.db2.gz USZXTWFATPCNQI-NSHDSACASA-N 2 2 295.387 -0.419 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC001371445594 896609752 /nfs/dbraw/zinc/60/97/52/896609752.db2.gz SNQQGOMHIPFVMZ-GHMZBOCLSA-N 2 2 295.387 -0.419 20 0 CBADLP COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001371535140 896633759 /nfs/dbraw/zinc/63/37/59/896633759.db2.gz KPOMTKPOXBYESS-JQWIXIFHSA-N 2 2 282.344 -0.850 20 0 CBADLP C[C@@H](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]Cc1ccon1 ZINC001371729195 896654429 /nfs/dbraw/zinc/65/44/29/896654429.db2.gz PTSFENSVYBVLQD-AAEUAGOBSA-N 2 2 296.371 -0.010 20 0 CBADLP C[C@@H](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]Cc1ccon1 ZINC001371729195 896654442 /nfs/dbraw/zinc/65/44/42/896654442.db2.gz PTSFENSVYBVLQD-AAEUAGOBSA-N 2 2 296.371 -0.010 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@H](C)CCNC(=O)Cc1c[nH+]cn1C ZINC001371870695 896674953 /nfs/dbraw/zinc/67/49/53/896674953.db2.gz VEPYXIDNPRPHPN-MNOVXSKESA-N 2 2 295.387 -0.419 20 0 CBADLP COC[C@H](O)C[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001371998790 896702745 /nfs/dbraw/zinc/70/27/45/896702745.db2.gz HAFRFEVVEPSPLM-IJLUTSLNSA-N 2 2 296.371 -0.432 20 0 CBADLP COC[C@H](O)C[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001371998790 896702753 /nfs/dbraw/zinc/70/27/53/896702753.db2.gz HAFRFEVVEPSPLM-IJLUTSLNSA-N 2 2 296.371 -0.432 20 0 CBADLP CCN(C)C(=O)C[N@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001372008447 896706775 /nfs/dbraw/zinc/70/67/75/896706775.db2.gz JUKJHAVDASGDPT-CYBMUJFWSA-N 2 2 298.431 -0.003 20 0 CBADLP CCN(C)C(=O)C[N@@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001372008447 896706785 /nfs/dbraw/zinc/70/67/85/896706785.db2.gz JUKJHAVDASGDPT-CYBMUJFWSA-N 2 2 298.431 -0.003 20 0 CBADLP CCN(C)C(=O)C[NH+](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001372008447 896706792 /nfs/dbraw/zinc/70/67/92/896706792.db2.gz JUKJHAVDASGDPT-CYBMUJFWSA-N 2 2 298.431 -0.003 20 0 CBADLP CCN(C)C(=O)C[NH+](C)CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001372008447 896706800 /nfs/dbraw/zinc/70/68/00/896706800.db2.gz JUKJHAVDASGDPT-CYBMUJFWSA-N 2 2 298.431 -0.003 20 0 CBADLP CNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001372004116 896707952 /nfs/dbraw/zinc/70/79/52/896707952.db2.gz BYLIPBZEIWIJER-NSHDSACASA-N 2 2 270.377 -0.735 20 0 CBADLP CNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001372004116 896707961 /nfs/dbraw/zinc/70/79/61/896707961.db2.gz BYLIPBZEIWIJER-NSHDSACASA-N 2 2 270.377 -0.735 20 0 CBADLP CNC(=O)C[NH+](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001372004116 896707968 /nfs/dbraw/zinc/70/79/68/896707968.db2.gz BYLIPBZEIWIJER-NSHDSACASA-N 2 2 270.377 -0.735 20 0 CBADLP CNC(=O)C[NH+](C)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001372004116 896707976 /nfs/dbraw/zinc/70/79/76/896707976.db2.gz BYLIPBZEIWIJER-NSHDSACASA-N 2 2 270.377 -0.735 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NCC[N@@H+](C)[C@H]1CCNC1=O ZINC001372225827 896754122 /nfs/dbraw/zinc/75/41/22/896754122.db2.gz WFDNBWUVELZFDW-NSHDSACASA-N 2 2 279.344 -0.872 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NCC[N@H+](C)[C@H]1CCNC1=O ZINC001372225827 896754129 /nfs/dbraw/zinc/75/41/29/896754129.db2.gz WFDNBWUVELZFDW-NSHDSACASA-N 2 2 279.344 -0.872 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CCNC(=O)C[NH+](C)C(C)C ZINC001372241701 896757190 /nfs/dbraw/zinc/75/71/90/896757190.db2.gz LMUSTLYEYJXYNA-UHFFFAOYSA-N 2 2 286.420 -0.101 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CCNC(=O)C[NH+](C)C(C)C ZINC001372241701 896757201 /nfs/dbraw/zinc/75/72/01/896757201.db2.gz LMUSTLYEYJXYNA-UHFFFAOYSA-N 2 2 286.420 -0.101 20 0 CBADLP CC(C)NC(=O)C[NH+](C)CCNC(=O)C[N@H+](C)C(C)C ZINC001372241701 896757216 /nfs/dbraw/zinc/75/72/16/896757216.db2.gz LMUSTLYEYJXYNA-UHFFFAOYSA-N 2 2 286.420 -0.101 20 0 CBADLP CC(C)NC(=O)C[NH+](C)CCNC(=O)C[N@@H+](C)C(C)C ZINC001372241701 896757225 /nfs/dbraw/zinc/75/72/25/896757225.db2.gz LMUSTLYEYJXYNA-UHFFFAOYSA-N 2 2 286.420 -0.101 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001372682553 896835770 /nfs/dbraw/zinc/83/57/70/896835770.db2.gz OLMYEUGUTONHOS-QWRGUYRKSA-N 2 2 279.344 -0.805 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001372682553 896835786 /nfs/dbraw/zinc/83/57/86/896835786.db2.gz OLMYEUGUTONHOS-QWRGUYRKSA-N 2 2 279.344 -0.805 20 0 CBADLP CN(CC[NH2+][C@@H]1CCNC1=O)C(=O)CCc1c[nH]c[nH+]1 ZINC001372933907 896909438 /nfs/dbraw/zinc/90/94/38/896909438.db2.gz ASEFFKPPZUVLRL-LLVKDONJSA-N 2 2 279.344 -0.721 20 0 CBADLP CN(CC[NH2+][C@@H]1CCNC1=O)C(=O)CCc1c[nH+]c[nH]1 ZINC001372933907 896909447 /nfs/dbraw/zinc/90/94/47/896909447.db2.gz ASEFFKPPZUVLRL-LLVKDONJSA-N 2 2 279.344 -0.721 20 0 CBADLP C[C@H]([NH2+]CCN(C)C(=O)Cn1cc[nH+]c1)C(=O)N(C)C ZINC001372997534 896925231 /nfs/dbraw/zinc/92/52/31/896925231.db2.gz XRJACMNABBWNRP-NSHDSACASA-N 2 2 281.360 -0.592 20 0 CBADLP CC[C@@H](C(=O)N[C@@H]1CCC[N@@H+]([C@H]2CCNC2=O)C1)[NH+](C)C ZINC001373380120 896991838 /nfs/dbraw/zinc/99/18/38/896991838.db2.gz IJZGPCOITTZHIN-AGIUHOORSA-N 2 2 296.415 -0.204 20 0 CBADLP CC[C@@H](C(=O)N[C@@H]1CCC[N@H+]([C@H]2CCNC2=O)C1)[NH+](C)C ZINC001373380120 896991845 /nfs/dbraw/zinc/99/18/45/896991845.db2.gz IJZGPCOITTZHIN-AGIUHOORSA-N 2 2 296.415 -0.204 20 0 CBADLP CC(C)(C[NH+]1CCOCC1)C(=O)NC1C[NH+](CCCO)C1 ZINC001373433745 897013894 /nfs/dbraw/zinc/01/38/94/897013894.db2.gz LCAKLMZUNJSOJJ-UHFFFAOYSA-N 2 2 299.415 -0.472 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001373596491 897064175 /nfs/dbraw/zinc/06/41/75/897064175.db2.gz TYFOQYACZWOCBT-MNOVXSKESA-N 2 2 282.388 -0.465 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001373596491 897064185 /nfs/dbraw/zinc/06/41/85/897064185.db2.gz TYFOQYACZWOCBT-MNOVXSKESA-N 2 2 282.388 -0.465 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001373596491 897064198 /nfs/dbraw/zinc/06/41/98/897064198.db2.gz TYFOQYACZWOCBT-MNOVXSKESA-N 2 2 282.388 -0.465 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001373596491 897064210 /nfs/dbraw/zinc/06/42/10/897064210.db2.gz TYFOQYACZWOCBT-MNOVXSKESA-N 2 2 282.388 -0.465 20 0 CBADLP CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001373594284 897066336 /nfs/dbraw/zinc/06/63/36/897066336.db2.gz QSODDOBULCUDGX-QWHCGFSZSA-N 2 2 296.415 -0.203 20 0 CBADLP CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001373594284 897066346 /nfs/dbraw/zinc/06/63/46/897066346.db2.gz QSODDOBULCUDGX-QWHCGFSZSA-N 2 2 296.415 -0.203 20 0 CBADLP CCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001373594284 897066359 /nfs/dbraw/zinc/06/63/59/897066359.db2.gz QSODDOBULCUDGX-QWHCGFSZSA-N 2 2 296.415 -0.203 20 0 CBADLP CCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001373594284 897066370 /nfs/dbraw/zinc/06/63/70/897066370.db2.gz QSODDOBULCUDGX-QWHCGFSZSA-N 2 2 296.415 -0.203 20 0 CBADLP CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001373628412 897081506 /nfs/dbraw/zinc/08/15/06/897081506.db2.gz PUKQNURPJMXZHM-JHJVBQTASA-N 2 2 296.415 -0.347 20 0 CBADLP CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001373628412 897081516 /nfs/dbraw/zinc/08/15/16/897081516.db2.gz PUKQNURPJMXZHM-JHJVBQTASA-N 2 2 296.415 -0.347 20 0 CBADLP CCNC(=O)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001373628412 897081525 /nfs/dbraw/zinc/08/15/25/897081525.db2.gz PUKQNURPJMXZHM-JHJVBQTASA-N 2 2 296.415 -0.347 20 0 CBADLP CCNC(=O)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001373628412 897081535 /nfs/dbraw/zinc/08/15/35/897081535.db2.gz PUKQNURPJMXZHM-JHJVBQTASA-N 2 2 296.415 -0.347 20 0 CBADLP CCC[N@H+](C)CC(=O)N(CC)[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001373714850 897105346 /nfs/dbraw/zinc/10/53/46/897105346.db2.gz HBYAIDIIFIOXOZ-GFCCVEGCSA-N 2 2 284.404 -0.264 20 0 CBADLP CCC[N@@H+](C)CC(=O)N(CC)[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001373714850 897105355 /nfs/dbraw/zinc/10/53/55/897105355.db2.gz HBYAIDIIFIOXOZ-GFCCVEGCSA-N 2 2 284.404 -0.264 20 0 CBADLP CCC[NH+](C)CC(=O)N(CC)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001373714850 897105360 /nfs/dbraw/zinc/10/53/60/897105360.db2.gz HBYAIDIIFIOXOZ-GFCCVEGCSA-N 2 2 284.404 -0.264 20 0 CBADLP CCC[NH+](C)CC(=O)N(CC)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001373714850 897105368 /nfs/dbraw/zinc/10/53/68/897105368.db2.gz HBYAIDIIFIOXOZ-GFCCVEGCSA-N 2 2 284.404 -0.264 20 0 CBADLP CC[C@H](CNC(=O)CCc1[nH+]ccn1C)[NH2+]CC(=O)NC ZINC001373776226 897119467 /nfs/dbraw/zinc/11/94/67/897119467.db2.gz FDRRHHLOCCDVFR-LLVKDONJSA-N 2 2 295.387 -0.417 20 0 CBADLP CC[C@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]CC(=O)N(C)C ZINC001373819170 897130406 /nfs/dbraw/zinc/13/04/06/897130406.db2.gz DEWHUZMBOCYNEO-LLVKDONJSA-N 2 2 295.387 -0.465 20 0 CBADLP CC[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CC(=O)N(C)CC ZINC001373836324 897131397 /nfs/dbraw/zinc/13/13/97/897131397.db2.gz QBZMEAUGMZGKCM-GFCCVEGCSA-N 2 2 295.387 -0.154 20 0 CBADLP C[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)C[NH2+][C@@H]1CCNC1=O ZINC001374032935 897157841 /nfs/dbraw/zinc/15/78/41/897157841.db2.gz VCIVJSMCYPFGJB-ZYHUDNBSSA-N 2 2 293.371 -0.427 20 0 CBADLP C[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)C[NH2+][C@@H]1CCNC1=O ZINC001374032935 897157853 /nfs/dbraw/zinc/15/78/53/897157853.db2.gz VCIVJSMCYPFGJB-ZYHUDNBSSA-N 2 2 293.371 -0.427 20 0 CBADLP O=C(C[NH+]1CCCC1)NC[C@@H]1C[N@H+](CCCO)CCO1 ZINC001374144240 897179801 /nfs/dbraw/zinc/17/98/01/897179801.db2.gz VELWMKAYGRNHSP-CYBMUJFWSA-N 2 2 285.388 -0.718 20 0 CBADLP O=C(C[NH+]1CCCC1)NC[C@@H]1C[N@@H+](CCCO)CCO1 ZINC001374144240 897179809 /nfs/dbraw/zinc/17/98/09/897179809.db2.gz VELWMKAYGRNHSP-CYBMUJFWSA-N 2 2 285.388 -0.718 20 0 CBADLP CCCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001374302456 897205056 /nfs/dbraw/zinc/20/50/56/897205056.db2.gz LFPPEGLKYGNHBJ-NSHDSACASA-N 2 2 295.387 -0.085 20 0 CBADLP COC[C@@H](O)C[NH2+]C[C@@H](C)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001374306993 897212994 /nfs/dbraw/zinc/21/29/94/897212994.db2.gz YKFGAYVYZQWJQN-MNOVXSKESA-N 2 2 284.360 -0.604 20 0 CBADLP CC[C@@H]([NH2+]C[C@H](C)N(C)C(=O)Cc1[nH]c[nH+]c1C)C(N)=O ZINC001374313660 897213509 /nfs/dbraw/zinc/21/35/09/897213509.db2.gz HWZLGGKUZCTDKF-GXSJLCMTSA-N 2 2 295.387 -0.039 20 0 CBADLP C[C@H](C[NH2+][C@@H]1CCN(C)C1=O)N(C)C(=O)Cn1cc[nH+]c1 ZINC001374330432 897216831 /nfs/dbraw/zinc/21/68/31/897216831.db2.gz MTYAAKWOUURUKM-VXGBXAGGSA-N 2 2 293.371 -0.450 20 0 CBADLP CC[C@H]([NH2+][C@H](CNC(=O)Cc1[nH]cc[nH+]1)C(C)C)C(N)=O ZINC001374438776 897223937 /nfs/dbraw/zinc/22/39/37/897223937.db2.gz LVNSKAHHHUGANP-WDEREUQCSA-N 2 2 295.387 -0.054 20 0 CBADLP CCNC(=O)C[NH2+][C@H](CNC(=O)Cn1cc[nH+]c1)C(C)C ZINC001374454557 897226977 /nfs/dbraw/zinc/22/69/77/897226977.db2.gz UZMHZKPDLJKSOP-GFCCVEGCSA-N 2 2 295.387 -0.250 20 0 CBADLP CC[NH2+]C[C@@H](O)CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001374600904 897300868 /nfs/dbraw/zinc/30/08/68/897300868.db2.gz AOSMDEYRAYHCJD-ZWNOBZJWSA-N 2 2 295.387 -0.123 20 0 CBADLP CC[NH2+]C[C@@H](O)CNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001374600904 897300881 /nfs/dbraw/zinc/30/08/81/897300881.db2.gz AOSMDEYRAYHCJD-ZWNOBZJWSA-N 2 2 295.387 -0.123 20 0 CBADLP CC(C)[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001374653976 897330286 /nfs/dbraw/zinc/33/02/86/897330286.db2.gz SUCDUFVMYZPMTQ-QJPTWQEYSA-N 2 2 280.372 -0.001 20 0 CBADLP CC(C)[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001374653975 897330470 /nfs/dbraw/zinc/33/04/70/897330470.db2.gz SUCDUFVMYZPMTQ-IJLUTSLNSA-N 2 2 280.372 -0.001 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@@H](O)C[NH2+]C[C@@H]1CCCCO1 ZINC001374677362 897340385 /nfs/dbraw/zinc/34/03/85/897340385.db2.gz OXOJOOLPEKHOCL-STQMWFEESA-N 2 2 296.371 -0.481 20 0 CBADLP Cc1nonc1C[NH2+]C[C@H](O)CNC(=O)C[NH+]1CCCC1 ZINC001374680252 897340789 /nfs/dbraw/zinc/34/07/89/897340789.db2.gz BJGGAGOZVMPFIK-NSHDSACASA-N 2 2 297.359 -0.959 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]CC[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001374701589 897349243 /nfs/dbraw/zinc/34/92/43/897349243.db2.gz WWJJLDBSKWMUMC-QWRGUYRKSA-N 2 2 295.387 -0.039 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]CC[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001374701589 897349258 /nfs/dbraw/zinc/34/92/58/897349258.db2.gz WWJJLDBSKWMUMC-QWRGUYRKSA-N 2 2 295.387 -0.039 20 0 CBADLP C[C@@H](CC[NH2+][C@@H](C)C(=O)N(C)C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001374698163 897349557 /nfs/dbraw/zinc/34/95/57/897349557.db2.gz DCTVZEFQYGFHMC-QWRGUYRKSA-N 2 2 295.387 -0.087 20 0 CBADLP CCN(CC[NH2+][C@@H]1CCNC1=O)C(=O)Cc1[nH]c[nH+]c1C ZINC001374726053 897359550 /nfs/dbraw/zinc/35/95/50/897359550.db2.gz SEPRQIGICNRMJN-LLVKDONJSA-N 2 2 293.371 -0.413 20 0 CBADLP C[C@H](C[NH2+][C@@H]1CCCN(C)C1=O)NC(=O)Cc1[nH]cc[nH+]1 ZINC001374825250 897404718 /nfs/dbraw/zinc/40/47/18/897404718.db2.gz IGJJCIYOVVTMNX-GHMZBOCLSA-N 2 2 293.371 -0.333 20 0 CBADLP C[C@@H](C[NH2+][C@@H](C)C(N)=O)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001374903189 897427667 /nfs/dbraw/zinc/42/76/67/897427667.db2.gz BZDKHVJBMUJNGT-IUCAKERBSA-N 2 2 297.359 -0.682 20 0 CBADLP C[C@@H](C[NH2+]Cc1cnnn1C)NC(=O)Cc1c[nH+]cn1C ZINC001374961092 897442667 /nfs/dbraw/zinc/44/26/67/897442667.db2.gz HUTXNAWSLAYWFD-JTQLQIEISA-N 2 2 291.359 -0.614 20 0 CBADLP C[C@@H](C[N@H+](C)Cc1cnnn1C)NC(=O)[C@@H]1CCC[NH+]1C ZINC001375017572 897459571 /nfs/dbraw/zinc/45/95/71/897459571.db2.gz ICIPZKIWRXODAA-AAEUAGOBSA-N 2 2 294.403 -0.154 20 0 CBADLP C[C@@H](C[N@@H+](C)Cc1cnnn1C)NC(=O)[C@@H]1CCC[NH+]1C ZINC001375017572 897459576 /nfs/dbraw/zinc/45/95/76/897459576.db2.gz ICIPZKIWRXODAA-AAEUAGOBSA-N 2 2 294.403 -0.154 20 0 CBADLP C[C@@H](C[NH+](C)Cc1cnnn1C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001375017572 897459579 /nfs/dbraw/zinc/45/95/79/897459579.db2.gz ICIPZKIWRXODAA-AAEUAGOBSA-N 2 2 294.403 -0.154 20 0 CBADLP C[C@@H](C[NH+](C)Cc1cnnn1C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001375017572 897459583 /nfs/dbraw/zinc/45/95/83/897459583.db2.gz ICIPZKIWRXODAA-AAEUAGOBSA-N 2 2 294.403 -0.154 20 0 CBADLP COC[C@H](O)C[N@H+](C)C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001375107857 897475734 /nfs/dbraw/zinc/47/57/34/897475734.db2.gz DENZJRUUTCWULU-CMPLNLGQSA-N 2 2 284.360 -0.604 20 0 CBADLP COC[C@H](O)C[N@@H+](C)C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001375107857 897475737 /nfs/dbraw/zinc/47/57/37/897475737.db2.gz DENZJRUUTCWULU-CMPLNLGQSA-N 2 2 284.360 -0.604 20 0 CBADLP COC[C@H](O)C[N@H+](C)C[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001375107862 897479345 /nfs/dbraw/zinc/47/93/45/897479345.db2.gz DENZJRUUTCWULU-ZYHUDNBSSA-N 2 2 284.360 -0.604 20 0 CBADLP COC[C@H](O)C[N@@H+](C)C[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001375107862 897479358 /nfs/dbraw/zinc/47/93/58/897479358.db2.gz DENZJRUUTCWULU-ZYHUDNBSSA-N 2 2 284.360 -0.604 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@H](C)C[N@H+](C)[C@H]1CCNC1=O ZINC001375153773 897488555 /nfs/dbraw/zinc/48/85/55/897488555.db2.gz LUFIKEOEVKCNPJ-PWSUYJOCSA-N 2 2 293.371 -0.483 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@H](C)C[N@@H+](C)[C@H]1CCNC1=O ZINC001375153773 897488562 /nfs/dbraw/zinc/48/85/62/897488562.db2.gz LUFIKEOEVKCNPJ-PWSUYJOCSA-N 2 2 293.371 -0.483 20 0 CBADLP COC[C@@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001375340057 897520070 /nfs/dbraw/zinc/52/00/70/897520070.db2.gz QDJFYUQKPWAXLS-RDBSUJKOSA-N 2 2 299.415 -0.332 20 0 CBADLP COC[C@@H](O)C[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001375340057 897520081 /nfs/dbraw/zinc/52/00/81/897520081.db2.gz QDJFYUQKPWAXLS-RDBSUJKOSA-N 2 2 299.415 -0.332 20 0 CBADLP COC[C@@H](O)C[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001375340057 897520095 /nfs/dbraw/zinc/52/00/95/897520095.db2.gz QDJFYUQKPWAXLS-RDBSUJKOSA-N 2 2 299.415 -0.332 20 0 CBADLP COC[C@@H](O)C[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001375340057 897520110 /nfs/dbraw/zinc/52/01/10/897520110.db2.gz QDJFYUQKPWAXLS-RDBSUJKOSA-N 2 2 299.415 -0.332 20 0 CBADLP CCC[N@H+](C)CC(=O)NC[C@H]1CC[NH+]1CC(=O)N(C)C ZINC001375363636 897526638 /nfs/dbraw/zinc/52/66/38/897526638.db2.gz AAWXJGVNFLZXIU-GFCCVEGCSA-N 2 2 284.404 -0.393 20 0 CBADLP CCC[N@@H+](C)CC(=O)NC[C@H]1CC[NH+]1CC(=O)N(C)C ZINC001375363636 897526649 /nfs/dbraw/zinc/52/66/49/897526649.db2.gz AAWXJGVNFLZXIU-GFCCVEGCSA-N 2 2 284.404 -0.393 20 0 CBADLP CCC[NH+](C)CC(=O)NC[C@H]1CC[N@@H+]1CC(=O)N(C)C ZINC001375363636 897526664 /nfs/dbraw/zinc/52/66/64/897526664.db2.gz AAWXJGVNFLZXIU-GFCCVEGCSA-N 2 2 284.404 -0.393 20 0 CBADLP CCC[NH+](C)CC(=O)NC[C@H]1CC[N@H+]1CC(=O)N(C)C ZINC001375363636 897526685 /nfs/dbraw/zinc/52/66/85/897526685.db2.gz AAWXJGVNFLZXIU-GFCCVEGCSA-N 2 2 284.404 -0.393 20 0 CBADLP CCN(C)C(=O)C[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001375374579 897529442 /nfs/dbraw/zinc/52/94/42/897529442.db2.gz SVRSPCHPQDWGFM-OLZOCXBDSA-N 2 2 296.415 -0.393 20 0 CBADLP CCN(C)C(=O)C[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001375374579 897529455 /nfs/dbraw/zinc/52/94/55/897529455.db2.gz SVRSPCHPQDWGFM-OLZOCXBDSA-N 2 2 296.415 -0.393 20 0 CBADLP CCN(C)C(=O)C[NH+]1CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001375374579 897529468 /nfs/dbraw/zinc/52/94/68/897529468.db2.gz SVRSPCHPQDWGFM-OLZOCXBDSA-N 2 2 296.415 -0.393 20 0 CBADLP CCN(C)C(=O)C[NH+]1CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001375374579 897529477 /nfs/dbraw/zinc/52/94/77/897529477.db2.gz SVRSPCHPQDWGFM-OLZOCXBDSA-N 2 2 296.415 -0.393 20 0 CBADLP CN(C[C@@H]1CC[N@@H+]1CCO)C(=O)CCc1c[nH+]cn1C ZINC001375464378 897548032 /nfs/dbraw/zinc/54/80/32/897548032.db2.gz FDYJMSHPEGQZKO-ZDUSSCGKSA-N 2 2 280.372 -0.122 20 0 CBADLP CN(C[C@@H]1CC[N@H+]1CCO)C(=O)CCc1c[nH+]cn1C ZINC001375464378 897548041 /nfs/dbraw/zinc/54/80/41/897548041.db2.gz FDYJMSHPEGQZKO-ZDUSSCGKSA-N 2 2 280.372 -0.122 20 0 CBADLP CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C[NH+](C)C(C)C ZINC001375465550 897548901 /nfs/dbraw/zinc/54/89/01/897548901.db2.gz BGUCQBCQZYIUIF-CYBMUJFWSA-N 2 2 298.431 -0.005 20 0 CBADLP CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)C[NH+](C)C(C)C ZINC001375465550 897548918 /nfs/dbraw/zinc/54/89/18/897548918.db2.gz BGUCQBCQZYIUIF-CYBMUJFWSA-N 2 2 298.431 -0.005 20 0 CBADLP CCNC(=O)C[NH+]1CC[C@@H]1CN(C)C(=O)C[N@H+](C)C(C)C ZINC001375465550 897548926 /nfs/dbraw/zinc/54/89/26/897548926.db2.gz BGUCQBCQZYIUIF-CYBMUJFWSA-N 2 2 298.431 -0.005 20 0 CBADLP CCNC(=O)C[NH+]1CC[C@@H]1CN(C)C(=O)C[N@@H+](C)C(C)C ZINC001375465550 897548939 /nfs/dbraw/zinc/54/89/39/897548939.db2.gz BGUCQBCQZYIUIF-CYBMUJFWSA-N 2 2 298.431 -0.005 20 0 CBADLP COC[C@@H](O)C[N@@H+]1CC[C@H]1CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001375472391 897551300 /nfs/dbraw/zinc/55/13/00/897551300.db2.gz SKPXSCGQYBYDQO-STQMWFEESA-N 2 2 296.371 -0.508 20 0 CBADLP COC[C@@H](O)C[N@H+]1CC[C@H]1CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001375472391 897551312 /nfs/dbraw/zinc/55/13/12/897551312.db2.gz SKPXSCGQYBYDQO-STQMWFEESA-N 2 2 296.371 -0.508 20 0 CBADLP CNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001375512453 897558829 /nfs/dbraw/zinc/55/88/29/897558829.db2.gz QRULKOTXMVLADG-PHIMTYICSA-N 2 2 279.344 -0.887 20 0 CBADLP Cc1nnc(C[NH2+]C2(CNC(=O)C[NH+]3CCCC3)CC2)[nH]1 ZINC001375545226 897564282 /nfs/dbraw/zinc/56/42/82/897564282.db2.gz SJRVJNVWQUELMS-UHFFFAOYSA-N 2 2 292.387 -0.053 20 0 CBADLP COC[C@@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001375550620 897564660 /nfs/dbraw/zinc/56/46/60/897564660.db2.gz RVGAQXDHLRFCJA-GVXVVHGQSA-N 2 2 296.371 -0.556 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001376058571 897643478 /nfs/dbraw/zinc/64/34/78/897643478.db2.gz KKGURTFWTMXTCN-VXGBXAGGSA-N 2 2 296.415 -0.075 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001376058571 897643485 /nfs/dbraw/zinc/64/34/85/897643485.db2.gz KKGURTFWTMXTCN-VXGBXAGGSA-N 2 2 296.415 -0.075 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@@]1(O)CC[N@H+](CCCF)C1 ZINC001376123292 897661174 /nfs/dbraw/zinc/66/11/74/897661174.db2.gz SFJLCDISRSGBTF-ZDUSSCGKSA-N 2 2 284.335 -0.204 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@@]1(O)CC[N@@H+](CCCF)C1 ZINC001376123292 897661182 /nfs/dbraw/zinc/66/11/82/897661182.db2.gz SFJLCDISRSGBTF-ZDUSSCGKSA-N 2 2 284.335 -0.204 20 0 CBADLP Cc1[nH+]ccn1CCCC(=O)N[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001376147756 897672408 /nfs/dbraw/zinc/67/24/08/897672408.db2.gz PECVIXYJVWMGPG-LBPRGKRZSA-N 2 2 293.371 -0.352 20 0 CBADLP Cc1[nH+]ccn1CCCC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001376147756 897672415 /nfs/dbraw/zinc/67/24/15/897672415.db2.gz PECVIXYJVWMGPG-LBPRGKRZSA-N 2 2 293.371 -0.352 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001376348097 897717602 /nfs/dbraw/zinc/71/76/02/897717602.db2.gz YJFPSDDIFAWAPQ-UWVGGRQHSA-N 2 2 279.344 -0.723 20 0 CBADLP COC[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001376485706 897755904 /nfs/dbraw/zinc/75/59/04/897755904.db2.gz BPRMZRKVXWLDRK-NTZNESFSSA-N 2 2 296.371 -0.793 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)CCc1[nH+]ccn1C ZINC001376770966 897838451 /nfs/dbraw/zinc/83/84/51/897838451.db2.gz DZARGDJSBSBCGP-GHMZBOCLSA-N 2 2 295.387 -0.419 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@H](C)CNC(=O)CCc1[nH+]ccn1C ZINC001376770969 897838937 /nfs/dbraw/zinc/83/89/37/897838937.db2.gz DZARGDJSBSBCGP-MNOVXSKESA-N 2 2 295.387 -0.419 20 0 CBADLP C[C@H](CNC(=O)CC[NH+]1CCOCC1)[NH2+]Cc1cnon1 ZINC001376820470 897855429 /nfs/dbraw/zinc/85/54/29/897855429.db2.gz JRVTXPRVDDEHPJ-LLVKDONJSA-N 2 2 297.359 -0.614 20 0 CBADLP C[C@@H](CNC(=O)CC[NH+]1CCOCC1)[NH2+]Cc1cnon1 ZINC001376820472 897858284 /nfs/dbraw/zinc/85/82/84/897858284.db2.gz JRVTXPRVDDEHPJ-NSHDSACASA-N 2 2 297.359 -0.614 20 0 CBADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]CCn1cncn1 ZINC001376849939 897867575 /nfs/dbraw/zinc/86/75/75/897867575.db2.gz ARKDISYUGVIENC-LLVKDONJSA-N 2 2 291.359 -0.651 20 0 CBADLP CCN(C)C(=O)C[NH2+][C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001376858485 897872142 /nfs/dbraw/zinc/87/21/42/897872142.db2.gz ZGJMHUHFMWXQAS-LLVKDONJSA-N 2 2 295.387 -0.465 20 0 CBADLP C[C@H]([NH2+]C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1)C(N)=O ZINC001376971166 897903932 /nfs/dbraw/zinc/90/39/32/897903932.db2.gz ZCQWFDUIAZEBRH-VHSXEESVSA-N 2 2 279.344 -0.736 20 0 CBADLP C[C@@H]([NH2+]C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1)C(N)=O ZINC001376971163 897905162 /nfs/dbraw/zinc/90/51/62/897905162.db2.gz ZCQWFDUIAZEBRH-NXEZZACHSA-N 2 2 279.344 -0.736 20 0 CBADLP CNC(=O)C[N@H+](C)CCCN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001377010717 897911409 /nfs/dbraw/zinc/91/14/09/897911409.db2.gz NVZPGLVMVLEMRQ-UHFFFAOYSA-N 2 2 295.387 -0.213 20 0 CBADLP CNC(=O)C[N@@H+](C)CCCN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001377010717 897911413 /nfs/dbraw/zinc/91/14/13/897911413.db2.gz NVZPGLVMVLEMRQ-UHFFFAOYSA-N 2 2 295.387 -0.213 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCC[C@@H](C)[NH2+][C@@H](C)C(N)=O ZINC001377091669 897928705 /nfs/dbraw/zinc/92/87/05/897928705.db2.gz ARVRGGKSLTZMHP-SCZZXKLOSA-N 2 2 281.360 -0.381 20 0 CBADLP C[N@H+](CCNC(=O)CCn1cc[nH+]c1)[C@@H]1CCCNC1=O ZINC001377197924 897966610 /nfs/dbraw/zinc/96/66/10/897966610.db2.gz LXPXUFDGHYTCFK-GFCCVEGCSA-N 2 2 293.371 -0.400 20 0 CBADLP C[N@@H+](CCNC(=O)CCn1cc[nH+]c1)[C@@H]1CCCNC1=O ZINC001377197924 897966626 /nfs/dbraw/zinc/96/66/26/897966626.db2.gz LXPXUFDGHYTCFK-GFCCVEGCSA-N 2 2 293.371 -0.400 20 0 CBADLP CNC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001377231837 897975927 /nfs/dbraw/zinc/97/59/27/897975927.db2.gz VMZHEHPHKLHEEF-NWDGAFQWSA-N 2 2 284.404 -0.347 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001377231837 897975935 /nfs/dbraw/zinc/97/59/35/897975935.db2.gz VMZHEHPHKLHEEF-NWDGAFQWSA-N 2 2 284.404 -0.347 20 0 CBADLP CNC(=O)[C@H](C)[NH+](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001377231837 897975941 /nfs/dbraw/zinc/97/59/41/897975941.db2.gz VMZHEHPHKLHEEF-NWDGAFQWSA-N 2 2 284.404 -0.347 20 0 CBADLP CNC(=O)[C@H](C)[NH+](C)CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001377231837 897975945 /nfs/dbraw/zinc/97/59/45/897975945.db2.gz VMZHEHPHKLHEEF-NWDGAFQWSA-N 2 2 284.404 -0.347 20 0 CBADLP CN(C)C(=O)C[N@H+](C)CCNC(=O)CC1CC[NH+](C)CC1 ZINC001377228453 897977438 /nfs/dbraw/zinc/97/74/38/897977438.db2.gz LMZQTTWLESEOMI-UHFFFAOYSA-N 2 2 298.431 -0.146 20 0 CBADLP CN(C)C(=O)C[N@@H+](C)CCNC(=O)CC1CC[NH+](C)CC1 ZINC001377228453 897977445 /nfs/dbraw/zinc/97/74/45/897977445.db2.gz LMZQTTWLESEOMI-UHFFFAOYSA-N 2 2 298.431 -0.146 20 0 CBADLP CCC[N@H+](CCNC(=O)Cn1c[nH+]cc1C)CC(N)=O ZINC001377489051 898068507 /nfs/dbraw/zinc/06/85/07/898068507.db2.gz IBFQBGUPHKMPTA-UHFFFAOYSA-N 2 2 281.360 -0.495 20 0 CBADLP CCC[N@@H+](CCNC(=O)Cn1c[nH+]cc1C)CC(N)=O ZINC001377489051 898068521 /nfs/dbraw/zinc/06/85/21/898068521.db2.gz IBFQBGUPHKMPTA-UHFFFAOYSA-N 2 2 281.360 -0.495 20 0 CBADLP C[C@H]([NH2+]CCN(C)C(=O)c1cccc2[nH+]ccn21)C(N)=O ZINC001377591558 898098339 /nfs/dbraw/zinc/09/83/39/898098339.db2.gz SUIZTPSURHRUCM-JTQLQIEISA-N 2 2 289.339 -0.130 20 0 CBADLP CCCN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001377650475 898108345 /nfs/dbraw/zinc/10/83/45/898108345.db2.gz CHNIZYAQVOEMDU-GFCCVEGCSA-N 2 2 284.404 -0.264 20 0 CBADLP CCCN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001377650475 898108355 /nfs/dbraw/zinc/10/83/55/898108355.db2.gz CHNIZYAQVOEMDU-GFCCVEGCSA-N 2 2 284.404 -0.264 20 0 CBADLP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001377978947 898185329 /nfs/dbraw/zinc/18/53/29/898185329.db2.gz YSKJJZWXBRJHBE-GFCCVEGCSA-N 2 2 282.388 -0.606 20 0 CBADLP C[N@H+]1CCC[C@@H]1CCC(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001377978947 898185332 /nfs/dbraw/zinc/18/53/32/898185332.db2.gz YSKJJZWXBRJHBE-GFCCVEGCSA-N 2 2 282.388 -0.606 20 0 CBADLP C[N@H+](CC(=O)NCC1C[NH+](CC(N)=O)C1)CC(C)(C)C ZINC001377996061 898193022 /nfs/dbraw/zinc/19/30/22/898193022.db2.gz LWQCNNOFEMRXFY-UHFFFAOYSA-N 2 2 284.404 -0.502 20 0 CBADLP C[N@@H+](CC(=O)NCC1C[NH+](CC(N)=O)C1)CC(C)(C)C ZINC001377996061 898193029 /nfs/dbraw/zinc/19/30/29/898193029.db2.gz LWQCNNOFEMRXFY-UHFFFAOYSA-N 2 2 284.404 -0.502 20 0 CBADLP CCC[N@H+](C)CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2[C@@H](CC)C(N)=O ZINC001378047831 898216467 /nfs/dbraw/zinc/21/64/67/898216467.db2.gz XCOUCVBRLXGUEC-AVGNSLFASA-N 2 2 296.415 -0.123 20 0 CBADLP CCC[N@@H+](C)CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2[C@@H](CC)C(N)=O ZINC001378047831 898216485 /nfs/dbraw/zinc/21/64/85/898216485.db2.gz XCOUCVBRLXGUEC-AVGNSLFASA-N 2 2 296.415 -0.123 20 0 CBADLP CCC[NH+](C)CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H](CC)C(N)=O ZINC001378047831 898216501 /nfs/dbraw/zinc/21/65/01/898216501.db2.gz XCOUCVBRLXGUEC-AVGNSLFASA-N 2 2 296.415 -0.123 20 0 CBADLP CCC[NH+](C)CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H](CC)C(N)=O ZINC001378047831 898216516 /nfs/dbraw/zinc/21/65/16/898216516.db2.gz XCOUCVBRLXGUEC-AVGNSLFASA-N 2 2 296.415 -0.123 20 0 CBADLP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CC(N)=O)C1)[NH+](CC)CC ZINC001378071892 898219411 /nfs/dbraw/zinc/21/94/11/898219411.db2.gz CQOKQMLHZLFGJA-RYUDHWBXSA-N 2 2 284.404 -0.217 20 0 CBADLP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1)[NH+](CC)CC ZINC001378071892 898219425 /nfs/dbraw/zinc/21/94/25/898219425.db2.gz CQOKQMLHZLFGJA-RYUDHWBXSA-N 2 2 284.404 -0.217 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)N[C@H]1CC[N@H+](CCCO)C1 ZINC001378069488 898220178 /nfs/dbraw/zinc/22/01/78/898220178.db2.gz IEYZXGBZLROSCY-LBPRGKRZSA-N 2 2 280.372 -0.074 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)N[C@H]1CC[N@@H+](CCCO)C1 ZINC001378069488 898220199 /nfs/dbraw/zinc/22/01/99/898220199.db2.gz IEYZXGBZLROSCY-LBPRGKRZSA-N 2 2 280.372 -0.074 20 0 CBADLP CCN(C(=O)Cn1cc[nH+]c1C)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001378193412 898273528 /nfs/dbraw/zinc/27/35/28/898273528.db2.gz KFJOVYOSXNMDPZ-GFCCVEGCSA-N 2 2 293.371 -0.400 20 0 CBADLP CCN(C(=O)Cn1cc[nH+]c1C)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001378193412 898273542 /nfs/dbraw/zinc/27/35/42/898273542.db2.gz KFJOVYOSXNMDPZ-GFCCVEGCSA-N 2 2 293.371 -0.400 20 0 CBADLP CC[C@@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+][C@@H](C)C(=O)NC ZINC001378318346 898311405 /nfs/dbraw/zinc/31/14/05/898311405.db2.gz NLNOPHKVTIIMFO-QWRGUYRKSA-N 2 2 295.387 -0.419 20 0 CBADLP CC[C@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+][C@H](C)C(=O)NC ZINC001378318343 898312620 /nfs/dbraw/zinc/31/26/20/898312620.db2.gz NLNOPHKVTIIMFO-GHMZBOCLSA-N 2 2 295.387 -0.419 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NC1(CCO)C[NH+](C[C@H](C)O)C1 ZINC001378359751 898326153 /nfs/dbraw/zinc/32/61/53/898326153.db2.gz ACDWQXRCCRZUNE-LBPRGKRZSA-N 2 2 287.404 -0.740 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NC1(CCO)C[NH+](C[C@H](C)O)C1 ZINC001378359751 898326169 /nfs/dbraw/zinc/32/61/69/898326169.db2.gz ACDWQXRCCRZUNE-LBPRGKRZSA-N 2 2 287.404 -0.740 20 0 CBADLP C[C@H](CNC(=O)CCc1c[nH]c[nH+]1)C[NH2+][C@@H](C)C(N)=O ZINC001378569694 898356205 /nfs/dbraw/zinc/35/62/05/898356205.db2.gz UTOSILARUFRYHQ-UWVGGRQHSA-N 2 2 281.360 -0.442 20 0 CBADLP C[C@H](CNC(=O)CCc1c[nH+]c[nH]1)C[NH2+][C@@H](C)C(N)=O ZINC001378569694 898356224 /nfs/dbraw/zinc/35/62/24/898356224.db2.gz UTOSILARUFRYHQ-UWVGGRQHSA-N 2 2 281.360 -0.442 20 0 CBADLP C[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1C[NH+](CC(N)=O)C1 ZINC001378589011 898358174 /nfs/dbraw/zinc/35/81/74/898358174.db2.gz VVTIBDSYZNACSK-WDEREUQCSA-N 2 2 282.388 -0.750 20 0 CBADLP C[C@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C1C[NH+](CC(N)=O)C1 ZINC001378589011 898358185 /nfs/dbraw/zinc/35/81/85/898358185.db2.gz VVTIBDSYZNACSK-WDEREUQCSA-N 2 2 282.388 -0.750 20 0 CBADLP C[C@H](CNC(=O)CCn1cc[nH+]c1)C[NH2+][C@H](C)C(N)=O ZINC001378594621 898362733 /nfs/dbraw/zinc/36/27/33/898362733.db2.gz PYTURDSJJGPZLM-WDEREUQCSA-N 2 2 281.360 -0.511 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001378619384 898368831 /nfs/dbraw/zinc/36/88/31/898368831.db2.gz VICNQNRRKITCQI-GHMZBOCLSA-N 2 2 295.387 -0.324 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001378619384 898368842 /nfs/dbraw/zinc/36/88/42/898368842.db2.gz VICNQNRRKITCQI-GHMZBOCLSA-N 2 2 295.387 -0.324 20 0 CBADLP CNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001378619386 898370450 /nfs/dbraw/zinc/37/04/50/898370450.db2.gz VICNQNRRKITCQI-QWRGUYRKSA-N 2 2 295.387 -0.324 20 0 CBADLP CNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001378619386 898370456 /nfs/dbraw/zinc/37/04/56/898370456.db2.gz VICNQNRRKITCQI-QWRGUYRKSA-N 2 2 295.387 -0.324 20 0 CBADLP CNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001378619387 898370966 /nfs/dbraw/zinc/37/09/66/898370966.db2.gz VICNQNRRKITCQI-WDEREUQCSA-N 2 2 295.387 -0.324 20 0 CBADLP CNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001378619387 898370977 /nfs/dbraw/zinc/37/09/77/898370977.db2.gz VICNQNRRKITCQI-WDEREUQCSA-N 2 2 295.387 -0.324 20 0 CBADLP C[C@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001378652686 898382575 /nfs/dbraw/zinc/38/25/75/898382575.db2.gz MOMFFGIKPRTRDV-STQMWFEESA-N 2 2 299.415 -0.332 20 0 CBADLP C[C@H](O)C[N@H+]1CCO[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001378652686 898382589 /nfs/dbraw/zinc/38/25/89/898382589.db2.gz MOMFFGIKPRTRDV-STQMWFEESA-N 2 2 299.415 -0.332 20 0 CBADLP C[C@H](C[NH2+]CC(N)=O)N(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001378847994 898423771 /nfs/dbraw/zinc/42/37/71/898423771.db2.gz VOXCMACXHCQDIP-SECBINFHSA-N 2 2 281.360 -0.391 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@H](C)C[NH2+][C@H](C)C(N)=O ZINC001378851354 898424208 /nfs/dbraw/zinc/42/42/08/898424208.db2.gz WBKWHNRJWOLTJP-PSASIEDQSA-N 2 2 281.360 -0.429 20 0 CBADLP COC[C@@H](O)C[NH2+]C[C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001378872809 898428238 /nfs/dbraw/zinc/42/82/38/898428238.db2.gz MGOZOKKAPKSFIY-GVXVVHGQSA-N 2 2 296.371 -0.556 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH+](C)CC(N)=O)CC[N@@H+]1C ZINC001379037660 898449021 /nfs/dbraw/zinc/44/90/21/898449021.db2.gz AGWROAHFBJHVAC-NWDGAFQWSA-N 2 2 284.404 -0.408 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH+](C)CC(N)=O)CC[N@H+]1C ZINC001379037660 898449026 /nfs/dbraw/zinc/44/90/26/898449026.db2.gz AGWROAHFBJHVAC-NWDGAFQWSA-N 2 2 284.404 -0.408 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)N(C)CC[N@H+](C)CC(N)=O)CC[NH+]1C ZINC001379037660 898449033 /nfs/dbraw/zinc/44/90/33/898449033.db2.gz AGWROAHFBJHVAC-NWDGAFQWSA-N 2 2 284.404 -0.408 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)N(C)CC[N@@H+](C)CC(N)=O)CC[NH+]1C ZINC001379037660 898449037 /nfs/dbraw/zinc/44/90/37/898449037.db2.gz AGWROAHFBJHVAC-NWDGAFQWSA-N 2 2 284.404 -0.408 20 0 CBADLP CCNC(=O)C[N@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001379031794 898449078 /nfs/dbraw/zinc/44/90/78/898449078.db2.gz JWJPKVARBCCQOK-GFCCVEGCSA-N 2 2 284.404 -0.393 20 0 CBADLP CCNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001379031794 898449081 /nfs/dbraw/zinc/44/90/81/898449081.db2.gz JWJPKVARBCCQOK-GFCCVEGCSA-N 2 2 284.404 -0.393 20 0 CBADLP CCNC(=O)C[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001379031794 898449087 /nfs/dbraw/zinc/44/90/87/898449087.db2.gz JWJPKVARBCCQOK-GFCCVEGCSA-N 2 2 284.404 -0.393 20 0 CBADLP CCNC(=O)C[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001379031794 898449091 /nfs/dbraw/zinc/44/90/91/898449091.db2.gz JWJPKVARBCCQOK-GFCCVEGCSA-N 2 2 284.404 -0.393 20 0 CBADLP CN(CC[N@H+](C)CC(N)=O)C(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001379070579 898457532 /nfs/dbraw/zinc/45/75/32/898457532.db2.gz BEBZCHXKXJWJKW-OLZOCXBDSA-N 2 2 296.415 -0.121 20 0 CBADLP CN(CC[N@@H+](C)CC(N)=O)C(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001379070579 898457539 /nfs/dbraw/zinc/45/75/39/898457539.db2.gz BEBZCHXKXJWJKW-OLZOCXBDSA-N 2 2 296.415 -0.121 20 0 CBADLP CN(CC[NH+](C)CC(N)=O)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001379070579 898457542 /nfs/dbraw/zinc/45/75/42/898457542.db2.gz BEBZCHXKXJWJKW-OLZOCXBDSA-N 2 2 296.415 -0.121 20 0 CBADLP CN(CC[NH+](C)CC(N)=O)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001379070579 898457547 /nfs/dbraw/zinc/45/75/47/898457547.db2.gz BEBZCHXKXJWJKW-OLZOCXBDSA-N 2 2 296.415 -0.121 20 0 CBADLP CNC(=O)C[N@H+](C)CCN(C)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001379067943 898459239 /nfs/dbraw/zinc/45/92/39/898459239.db2.gz WCRPSNLTGQPZII-ZDUSSCGKSA-N 2 2 298.431 -0.003 20 0 CBADLP CNC(=O)C[N@@H+](C)CCN(C)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001379067943 898459244 /nfs/dbraw/zinc/45/92/44/898459244.db2.gz WCRPSNLTGQPZII-ZDUSSCGKSA-N 2 2 298.431 -0.003 20 0 CBADLP CNC(=O)C[NH+](C)CCN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001379067943 898459251 /nfs/dbraw/zinc/45/92/51/898459251.db2.gz WCRPSNLTGQPZII-ZDUSSCGKSA-N 2 2 298.431 -0.003 20 0 CBADLP CNC(=O)C[NH+](C)CCN(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001379067943 898459260 /nfs/dbraw/zinc/45/92/60/898459260.db2.gz WCRPSNLTGQPZII-ZDUSSCGKSA-N 2 2 298.431 -0.003 20 0 CBADLP CCNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001379128119 898468376 /nfs/dbraw/zinc/46/83/76/898468376.db2.gz UHHREXSTEWBJSX-GFCCVEGCSA-N 2 2 286.420 -0.147 20 0 CBADLP CN(CC[N@H+](C)[C@H]1CCN(C)C1=O)C(=O)Cn1cc[nH+]c1 ZINC001379142996 898474524 /nfs/dbraw/zinc/47/45/24/898474524.db2.gz HGCLZTQYYIBZRT-LBPRGKRZSA-N 2 2 293.371 -0.496 20 0 CBADLP CN(CC[N@@H+](C)[C@H]1CCN(C)C1=O)C(=O)Cn1cc[nH+]c1 ZINC001379142996 898474529 /nfs/dbraw/zinc/47/45/29/898474529.db2.gz HGCLZTQYYIBZRT-LBPRGKRZSA-N 2 2 293.371 -0.496 20 0 CBADLP C[N@H+](CC(=O)NC[C@H](CO)[NH2+]Cc1ccon1)C1CCC1 ZINC001379406665 898603051 /nfs/dbraw/zinc/60/30/51/898603051.db2.gz AKWJKTPLPWHXGZ-GFCCVEGCSA-N 2 2 296.371 -0.274 20 0 CBADLP C[N@@H+](CC(=O)NC[C@H](CO)[NH2+]Cc1ccon1)C1CCC1 ZINC001379406665 898603061 /nfs/dbraw/zinc/60/30/61/898603061.db2.gz AKWJKTPLPWHXGZ-GFCCVEGCSA-N 2 2 296.371 -0.274 20 0 CBADLP C[C@@H](F)CC[NH2+][C@@H](CO)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001379486734 898636730 /nfs/dbraw/zinc/63/67/30/898636730.db2.gz YRCACWGMQOPPLW-MWLCHTKSSA-N 2 2 272.324 -0.233 20 0 CBADLP CC[C@@H](F)C[NH2+][C@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001379537144 898660880 /nfs/dbraw/zinc/66/08/80/898660880.db2.gz JXUZELNYUILJFM-MNOVXSKESA-N 2 2 272.324 -0.302 20 0 CBADLP CCN1CC[C@@H]([NH2+]C[C@H](C)NC(=O)Cc2c[nH]c[nH+]2)C1=O ZINC001379562805 898669470 /nfs/dbraw/zinc/66/94/70/898669470.db2.gz JPNALLULRNTYJE-CMPLNLGQSA-N 2 2 293.371 -0.333 20 0 CBADLP CCCNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001379561796 898670766 /nfs/dbraw/zinc/67/07/66/898670766.db2.gz MXUHMDIGIWHIFY-QWRGUYRKSA-N 2 2 295.387 -0.039 20 0 CBADLP C[C@@H](C[NH2+]CC(=O)NC(C)(C)C)NC(=O)Cn1cc[nH+]c1 ZINC001379604807 898682679 /nfs/dbraw/zinc/68/26/79/898682679.db2.gz IFYUXCMOJQQSRG-NSHDSACASA-N 2 2 295.387 -0.108 20 0 CBADLP C[C@@H]1CC[N@H+](CC(=O)N[C@H](CO)Cc2c[nH+]c[nH]2)C1 ZINC001455024203 914278856 /nfs/dbraw/zinc/27/88/56/914278856.db2.gz FMWKVSVRSKQNOL-PWSUYJOCSA-N 2 2 266.345 -0.229 20 0 CBADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@H](CO)Cc2c[nH+]c[nH]2)C1 ZINC001455024203 914278871 /nfs/dbraw/zinc/27/88/71/914278871.db2.gz FMWKVSVRSKQNOL-PWSUYJOCSA-N 2 2 266.345 -0.229 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H](C[NH2+][C@H]1CCNC1=O)C1CC1 ZINC001379904404 898753076 /nfs/dbraw/zinc/75/30/76/898753076.db2.gz MSNQSHROUUEGGB-RYUDHWBXSA-N 2 2 291.355 -0.675 20 0 CBADLP CNC(=O)C[NH2+]C[C@H](NC(=O)CCn1cc[nH+]c1)C1CC1 ZINC001379893791 898755005 /nfs/dbraw/zinc/75/50/05/898755005.db2.gz GOQDRNKQFVSSPB-LBPRGKRZSA-N 2 2 293.371 -0.496 20 0 CBADLP CCN(C)C(=O)C[N@@H+]1CC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001380023727 898791935 /nfs/dbraw/zinc/79/19/35/898791935.db2.gz WXMYSGFLFSVSJK-CYBMUJFWSA-N 2 2 298.431 -0.003 20 0 CBADLP CCN(C)C(=O)C[N@H+]1CC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001380023727 898791949 /nfs/dbraw/zinc/79/19/49/898791949.db2.gz WXMYSGFLFSVSJK-CYBMUJFWSA-N 2 2 298.431 -0.003 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001380152277 898821253 /nfs/dbraw/zinc/82/12/53/898821253.db2.gz NBFQNXLDTLSWRE-SECBINFHSA-N 2 2 279.344 -0.675 20 0 CBADLP C[C@H]([NH2+]C1(CNC(=O)CCCn2cc[nH+]c2)CC1)C(N)=O ZINC001380167080 898825345 /nfs/dbraw/zinc/82/53/45/898825345.db2.gz FJOCENQSZKYFTE-NSHDSACASA-N 2 2 293.371 -0.225 20 0 CBADLP C[C@@H]([NH2+]C1(CNC(=O)CCCn2cc[nH+]c2)CC1)C(N)=O ZINC001380167079 898827482 /nfs/dbraw/zinc/82/74/82/898827482.db2.gz FJOCENQSZKYFTE-LLVKDONJSA-N 2 2 293.371 -0.225 20 0 CBADLP COC[C@@H](O)C[NH2+]C1CC(N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001380184070 898830773 /nfs/dbraw/zinc/83/07/73/898830773.db2.gz ULONJURCBXFLAJ-BPCQOVAHSA-N 2 2 296.371 -0.531 20 0 CBADLP COC[C@@H](O)C[NH+]1CC(N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001380241713 898837152 /nfs/dbraw/zinc/83/71/52/898837152.db2.gz PJBCVFQTDYDERX-ZDUSSCGKSA-N 2 2 299.415 -0.522 20 0 CBADLP CNC(=O)C[NH2+]C[C@]1(C)CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001380423027 898874133 /nfs/dbraw/zinc/87/41/33/898874133.db2.gz NABUKDKSNUNWNO-AWEZNQCLSA-N 2 2 293.371 -0.474 20 0 CBADLP CC[NH+](CC)C[C@H](F)C(=O)NCC1(O)C[NH+](CC)C1 ZINC001380600359 898920071 /nfs/dbraw/zinc/92/00/71/898920071.db2.gz RRZBDFDEQFMQMT-NSHDSACASA-N 2 2 275.368 -0.151 20 0 CBADLP C[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CCO1 ZINC001380908626 898971038 /nfs/dbraw/zinc/97/10/38/898971038.db2.gz KOZNCKQBZVMRDR-WCQYABFASA-N 2 2 296.371 -0.460 20 0 CBADLP C[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CCO1 ZINC001380908626 898971042 /nfs/dbraw/zinc/97/10/42/898971042.db2.gz KOZNCKQBZVMRDR-WCQYABFASA-N 2 2 296.371 -0.460 20 0 CBADLP CNC(=O)C[N@H+](C)CCCN(C)C(=O)Cn1cc[nH+]c1 ZINC001380988865 898981558 /nfs/dbraw/zinc/98/15/58/898981558.db2.gz RIUBSYSSLCLBOL-UHFFFAOYSA-N 2 2 281.360 -0.591 20 0 CBADLP CNC(=O)C[N@@H+](C)CCCN(C)C(=O)Cn1cc[nH+]c1 ZINC001380988865 898981573 /nfs/dbraw/zinc/98/15/73/898981573.db2.gz RIUBSYSSLCLBOL-UHFFFAOYSA-N 2 2 281.360 -0.591 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NC[C@H]1CCC2(C[NH+](CCO)C2)O1 ZINC001380996064 898984664 /nfs/dbraw/zinc/98/46/64/898984664.db2.gz DYGALTGOFYUMQT-CYBMUJFWSA-N 2 2 299.415 -0.332 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NC[C@H]1CCC2(C[NH+](CCO)C2)O1 ZINC001380996064 898984669 /nfs/dbraw/zinc/98/46/69/898984669.db2.gz DYGALTGOFYUMQT-CYBMUJFWSA-N 2 2 299.415 -0.332 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1COC2(C[NH+](C[C@@H](C)O)C2)C1 ZINC001381017881 898985234 /nfs/dbraw/zinc/98/52/34/898985234.db2.gz XYUAVQATFLPDOA-OLZOCXBDSA-N 2 2 299.415 -0.333 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1COC2(C[NH+](C[C@@H](C)O)C2)C1 ZINC001381017881 898985244 /nfs/dbraw/zinc/98/52/44/898985244.db2.gz XYUAVQATFLPDOA-OLZOCXBDSA-N 2 2 299.415 -0.333 20 0 CBADLP C[C@@H](CCNC(=O)[C@H]1CCc2[nH+]ccn2C1)[NH2+]CC(N)=O ZINC001381206343 899013957 /nfs/dbraw/zinc/01/39/57/899013957.db2.gz YWOFYSWIAJSAMC-QWRGUYRKSA-N 2 2 293.371 -0.585 20 0 CBADLP C[C@H]([NH2+]CC(C)(C)CN(C)C(=O)Cc1c[nH+]c[nH]1)C(N)=O ZINC001381484076 899059174 /nfs/dbraw/zinc/05/91/74/899059174.db2.gz XHUQNTUWOKTULR-JTQLQIEISA-N 2 2 295.387 -0.100 20 0 CBADLP C[C@H](F)CC[NH2+][C@H](CO)CNC(=O)Cc1c[nH+]cn1C ZINC001382262749 899217141 /nfs/dbraw/zinc/21/71/41/899217141.db2.gz CMJSJYCNYKKETF-QWRGUYRKSA-N 2 2 286.351 -0.223 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC[C@H](CO)[NH2+]C[C@@H]1CCOC1 ZINC001382265407 899221038 /nfs/dbraw/zinc/22/10/38/899221038.db2.gz IRBDGAALOMXASZ-NWDGAFQWSA-N 2 2 296.371 -0.934 20 0 CBADLP CC[C@H](C(=O)NC[C@H](CO)[NH2+]Cc1nnc(C)[nH]1)[NH+](C)C ZINC001382267895 899221066 /nfs/dbraw/zinc/22/10/66/899221066.db2.gz LCBIRLSNQOZFBR-GHMZBOCLSA-N 2 2 298.391 -0.980 20 0 CBADLP Cc1cc(C[NH2+][C@@H](CO)CNC(=O)C[NH+]2CCCC2)on1 ZINC001382273648 899225587 /nfs/dbraw/zinc/22/55/87/899225587.db2.gz MBYUFEZHDQCHNI-GFCCVEGCSA-N 2 2 296.371 -0.354 20 0 CBADLP Cc1conc1C[NH2+][C@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001382272244 899226259 /nfs/dbraw/zinc/22/62/59/899226259.db2.gz JHXPNCLABCNPAQ-LBPRGKRZSA-N 2 2 296.371 -0.354 20 0 CBADLP C[C@H]1C[C@H]([NH2+]CC(N)=O)CN1C(=O)CCCn1cc[nH+]c1 ZINC001382305280 899244263 /nfs/dbraw/zinc/24/42/63/899244263.db2.gz BYYHIGOWCOLZOS-RYUDHWBXSA-N 2 2 293.371 -0.272 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[NH+](CC(N)=O)[C@H]1C ZINC001382342243 899254355 /nfs/dbraw/zinc/25/43/55/899254355.db2.gz FALOKNGTIPXNLO-RYUDHWBXSA-N 2 2 284.404 -0.219 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N[C@H]1CCC[NH+](CC(N)=O)[C@H]1C ZINC001382342243 899254369 /nfs/dbraw/zinc/25/43/69/899254369.db2.gz FALOKNGTIPXNLO-RYUDHWBXSA-N 2 2 284.404 -0.219 20 0 CBADLP CC(C)[NH+](C)CC(=O)N[C@H]1CCC[N@H+](CC(N)=O)[C@H]1C ZINC001382342243 899254380 /nfs/dbraw/zinc/25/43/80/899254380.db2.gz FALOKNGTIPXNLO-RYUDHWBXSA-N 2 2 284.404 -0.219 20 0 CBADLP CC(C)[NH+](C)CC(=O)N[C@H]1CCC[N@@H+](CC(N)=O)[C@H]1C ZINC001382342243 899254392 /nfs/dbraw/zinc/25/43/92/899254392.db2.gz FALOKNGTIPXNLO-RYUDHWBXSA-N 2 2 284.404 -0.219 20 0 CBADLP C[C@@H](O)C[N@H+](C)C[C@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001382476177 899312918 /nfs/dbraw/zinc/31/29/18/899312918.db2.gz VLGBDYRKTHJDTI-MNOVXSKESA-N 2 2 284.360 -0.916 20 0 CBADLP C[C@@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001382476177 899312935 /nfs/dbraw/zinc/31/29/35/899312935.db2.gz VLGBDYRKTHJDTI-MNOVXSKESA-N 2 2 284.360 -0.916 20 0 CBADLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)NC(=O)CC[NH+](C)C ZINC001386404267 899659755 /nfs/dbraw/zinc/65/97/55/899659755.db2.gz XGCXAZBMCFJASB-NSHDSACASA-N 2 2 295.387 -0.465 20 0 CBADLP CC[NH+](CC)CC(=O)N[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001386438747 899664570 /nfs/dbraw/zinc/66/45/70/899664570.db2.gz GLEPVBNDCCMTEB-LLVKDONJSA-N 2 2 295.387 -0.085 20 0 CBADLP CN(CCNC(=O)C[NH+]1CCCC1)C(=O)Cc1[nH]cc[nH+]1 ZINC001386891688 899725949 /nfs/dbraw/zinc/72/59/49/899725949.db2.gz NYHGENKHRXYZQV-UHFFFAOYSA-N 2 2 293.371 -0.377 20 0 CBADLP CC[C@H](C(=O)NC[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1)[NH+](C)C ZINC001386973057 899738733 /nfs/dbraw/zinc/73/87/33/899738733.db2.gz BFRPZXYSSARQKC-ZYHUDNBSSA-N 2 2 295.387 -0.087 20 0 CBADLP CC[C@@H](CNC(=O)CC[NH+](C)C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001388172051 899872089 /nfs/dbraw/zinc/87/20/89/899872089.db2.gz GDWWMTWAEQQPQX-NSHDSACASA-N 2 2 295.387 -0.085 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001388692356 899900881 /nfs/dbraw/zinc/90/08/81/899900881.db2.gz HVXAPQGHTDBAGI-MXWKQRLJSA-N 2 2 293.371 -0.429 20 0 CBADLP CNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001388725966 899904794 /nfs/dbraw/zinc/90/47/94/899904794.db2.gz DZKQFHICYIJEIE-MGCOHNPYSA-N 2 2 279.344 -0.817 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)NC(=O)CC[NH+](C)C ZINC001389266666 899981244 /nfs/dbraw/zinc/98/12/44/899981244.db2.gz SVVULVUGYSXEPN-SNVBAGLBSA-N 2 2 295.387 -0.167 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001389387629 900006218 /nfs/dbraw/zinc/00/62/18/900006218.db2.gz ILDGRLNMVMOQFH-NEPJUHHUSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001389387629 900006231 /nfs/dbraw/zinc/00/62/31/900006231.db2.gz ILDGRLNMVMOQFH-NEPJUHHUSA-N 2 2 296.415 -0.217 20 0 CBADLP C[NH+](C)CCC(=O)NC[C@H]1CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001389728658 900060958 /nfs/dbraw/zinc/06/09/58/900060958.db2.gz ZKUZYKWVQIDTDX-GFCCVEGCSA-N 2 2 293.371 -0.379 20 0 CBADLP C[NH+](C)C1(C(=O)NC[C@H]2CCCC[N@@H+]2CC(N)=O)CCC1 ZINC001390125169 900117425 /nfs/dbraw/zinc/11/74/25/900117425.db2.gz NPEPZGDQRBEPMT-GFCCVEGCSA-N 2 2 296.415 -0.073 20 0 CBADLP C[NH+](C)C1(C(=O)NC[C@H]2CCCC[N@H+]2CC(N)=O)CCC1 ZINC001390125169 900117431 /nfs/dbraw/zinc/11/74/31/900117431.db2.gz NPEPZGDQRBEPMT-GFCCVEGCSA-N 2 2 296.415 -0.073 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001390165550 900121429 /nfs/dbraw/zinc/12/14/29/900121429.db2.gz WPCAFRFJSHUIEP-NSHDSACASA-N 2 2 293.371 -0.331 20 0 CBADLP C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]Cc1ccn(C)n1 ZINC001390329838 900137507 /nfs/dbraw/zinc/13/75/07/900137507.db2.gz SGASMIHTDULOTN-DGCLKSJQSA-N 2 2 295.387 -0.655 20 0 CBADLP C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]Cc1ccn(C)n1 ZINC001390329838 900137517 /nfs/dbraw/zinc/13/75/17/900137517.db2.gz SGASMIHTDULOTN-DGCLKSJQSA-N 2 2 295.387 -0.655 20 0 CBADLP C[C@H](CNC(=O)Cc1cn2c([nH+]1)CCCC2)[NH2+]CCO ZINC001390372711 900146307 /nfs/dbraw/zinc/14/63/07/900146307.db2.gz PVEDTEGINDHWMY-LLVKDONJSA-N 2 2 280.372 -0.152 20 0 CBADLP Cc1cn(C(C)(C)C(=O)NC[C@@H](C)[NH2+]CC(N)=O)c[nH+]1 ZINC001390406056 900153640 /nfs/dbraw/zinc/15/36/40/900153640.db2.gz FWWLVXOKVLHMAM-SECBINFHSA-N 2 2 281.360 -0.494 20 0 CBADLP C[C@@H](CNC(=O)CCc1c[nH+]cn1C)[NH2+]CC(=O)N(C)C ZINC001390519604 900179505 /nfs/dbraw/zinc/17/95/05/900179505.db2.gz FPGIXMWMIYVLSH-NSHDSACASA-N 2 2 295.387 -0.465 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](C[NH2+][C@H](C)C(N)=O)C1 ZINC001390605810 900195772 /nfs/dbraw/zinc/19/57/72/900195772.db2.gz MHYQVHYTTHDHND-GHMZBOCLSA-N 2 2 293.371 -0.427 20 0 CBADLP C[C@H](CCNC(=O)[C@H]1CCc2c[nH+]cn2C1)[NH2+]CCO ZINC001390676260 900208313 /nfs/dbraw/zinc/20/83/13/900208313.db2.gz WCTAGZRVUMBDDR-NEPJUHHUSA-N 2 2 280.372 -0.078 20 0 CBADLP C[C@@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+][C@H]1CCCNC1=O ZINC001390724921 900216279 /nfs/dbraw/zinc/21/62/79/900216279.db2.gz AERAODVVROXOHL-RYUDHWBXSA-N 2 2 293.371 -0.354 20 0 CBADLP C[C@H](CCNC(=O)Cc1c[nH+]cn1C)[NH2+]CC(=O)N(C)C ZINC001390714795 900216305 /nfs/dbraw/zinc/21/63/05/900216305.db2.gz OVQHVNNRIDXBFY-LLVKDONJSA-N 2 2 295.387 -0.465 20 0 CBADLP CCNC(=O)C[N@H+](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001390758313 900234123 /nfs/dbraw/zinc/23/41/23/900234123.db2.gz UEGFXKSPEBULLC-ZDUSSCGKSA-N 2 2 296.415 -0.488 20 0 CBADLP CCNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001390758313 900234138 /nfs/dbraw/zinc/23/41/38/900234138.db2.gz UEGFXKSPEBULLC-ZDUSSCGKSA-N 2 2 296.415 -0.488 20 0 CBADLP C[N@H+](CCNC(=O)C1CC[NH+](C)CC1)CC(=O)NC1CC1 ZINC001390807475 900252790 /nfs/dbraw/zinc/25/27/90/900252790.db2.gz CGJIMCFKASDQBW-UHFFFAOYSA-N 2 2 296.415 -0.345 20 0 CBADLP C[N@@H+](CCNC(=O)C1CC[NH+](C)CC1)CC(=O)NC1CC1 ZINC001390807475 900252802 /nfs/dbraw/zinc/25/28/02/900252802.db2.gz CGJIMCFKASDQBW-UHFFFAOYSA-N 2 2 296.415 -0.345 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NCC[C@@H]1CC[N@H+](CCO)C1 ZINC001391334766 900356087 /nfs/dbraw/zinc/35/60/87/900356087.db2.gz LPNICRDDWZZDGU-GFCCVEGCSA-N 2 2 280.372 -0.217 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NCC[C@@H]1CC[N@@H+](CCO)C1 ZINC001391334766 900356100 /nfs/dbraw/zinc/35/61/00/900356100.db2.gz LPNICRDDWZZDGU-GFCCVEGCSA-N 2 2 280.372 -0.217 20 0 CBADLP CCCNC(=O)C[NH+]1CC(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001391509253 900398695 /nfs/dbraw/zinc/39/86/95/900398695.db2.gz YWTSXXIHAMOPRX-ZDUSSCGKSA-N 2 2 298.431 -0.099 20 0 CBADLP CC[C@H](C(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1)[NH+](CC)CC ZINC001391590946 900413227 /nfs/dbraw/zinc/41/32/27/900413227.db2.gz CQOKQMLHZLFGJA-VXGBXAGGSA-N 2 2 284.404 -0.217 20 0 CBADLP CC[C@H](C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1)[NH+](CC)CC ZINC001391590946 900413235 /nfs/dbraw/zinc/41/32/35/900413235.db2.gz CQOKQMLHZLFGJA-VXGBXAGGSA-N 2 2 284.404 -0.217 20 0 CBADLP CC[C@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)[NH2+]CCO ZINC001391710225 900436013 /nfs/dbraw/zinc/43/60/13/900436013.db2.gz WROMYONNLDBUCQ-VXGBXAGGSA-N 2 2 280.372 -0.078 20 0 CBADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)C[NH2+]Cc1cnnn1C ZINC001391933107 900465702 /nfs/dbraw/zinc/46/57/02/900465702.db2.gz SMXIFKOWVOERMN-JTQLQIEISA-N 2 2 291.359 -0.377 20 0 CBADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)C[NH2+][C@H]1CCNC1=O ZINC001391946371 900469288 /nfs/dbraw/zinc/46/92/88/900469288.db2.gz YVHDHDXDQMTKFB-ZJUUUORDSA-N 2 2 279.344 -0.817 20 0 CBADLP CC(C)NC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001392112138 900516069 /nfs/dbraw/zinc/51/60/69/900516069.db2.gz WSUXRFPQIGARFO-LLVKDONJSA-N 2 2 295.387 -0.087 20 0 CBADLP C[C@@H](C[NH2+][C@@H](C)C(=O)N(C)C)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001392113996 900516852 /nfs/dbraw/zinc/51/68/52/900516852.db2.gz SEMJNBSCIMLTMF-QWRGUYRKSA-N 2 2 295.387 -0.135 20 0 CBADLP COC[C@@H](O)C[NH2+]C[C@@H](C)N(C)C(=O)Cn1cc[nH+]c1 ZINC001392139494 900521110 /nfs/dbraw/zinc/52/11/10/900521110.db2.gz HQGPSMJNHOUBDT-NEPJUHHUSA-N 2 2 284.360 -0.673 20 0 CBADLP CNC(=O)C[N@H+](C)CCN(C)C(=O)Cn1cc[nH+]c1C ZINC001392326534 900563779 /nfs/dbraw/zinc/56/37/79/900563779.db2.gz KRHBFIATEHLHLP-UHFFFAOYSA-N 2 2 281.360 -0.672 20 0 CBADLP CNC(=O)C[N@@H+](C)CCN(C)C(=O)Cn1cc[nH+]c1C ZINC001392326534 900563786 /nfs/dbraw/zinc/56/37/86/900563786.db2.gz KRHBFIATEHLHLP-UHFFFAOYSA-N 2 2 281.360 -0.672 20 0 CBADLP CNC(=O)C[N@H+](C)CCN(C)C(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001392338201 900566187 /nfs/dbraw/zinc/56/61/87/900566187.db2.gz SOIYQEIAKCEPSN-BETUJISGSA-N 2 2 298.431 -0.005 20 0 CBADLP CNC(=O)C[N@@H+](C)CCN(C)C(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001392338201 900566203 /nfs/dbraw/zinc/56/62/03/900566203.db2.gz SOIYQEIAKCEPSN-BETUJISGSA-N 2 2 298.431 -0.005 20 0 CBADLP CNC(=O)C[NH+](C)CCN(C)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001392338201 900566208 /nfs/dbraw/zinc/56/62/08/900566208.db2.gz SOIYQEIAKCEPSN-BETUJISGSA-N 2 2 298.431 -0.005 20 0 CBADLP CNC(=O)C[NH+](C)CCN(C)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001392338201 900566220 /nfs/dbraw/zinc/56/62/20/900566220.db2.gz SOIYQEIAKCEPSN-BETUJISGSA-N 2 2 298.431 -0.005 20 0 CBADLP CC[C@H](F)C[NH2+]C[C@@H](O)CNC(=O)Cc1c[nH+]cn1C ZINC001392421396 900611307 /nfs/dbraw/zinc/61/13/07/900611307.db2.gz IVPHLPRHAZBNKO-CMPLNLGQSA-N 2 2 286.351 -0.223 20 0 CBADLP CC[C@@H](F)C[NH2+]C[C@H](O)CNC(=O)Cc1c[nH+]cn1C ZINC001392421400 900612548 /nfs/dbraw/zinc/61/25/48/900612548.db2.gz IVPHLPRHAZBNKO-PWSUYJOCSA-N 2 2 286.351 -0.223 20 0 CBADLP C[C@H](C[NH2+][C@H](C)C(=O)N(C)C)NC(=O)CCn1cc[nH+]c1 ZINC001392507227 900641788 /nfs/dbraw/zinc/64/17/88/900641788.db2.gz XUXUGMHLEDCZQK-VXGBXAGGSA-N 2 2 295.387 -0.156 20 0 CBADLP CC(C)NC(=O)C[NH2+]C[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001392526489 900647058 /nfs/dbraw/zinc/64/70/58/900647058.db2.gz YYJIQLQHUPPJLH-LLVKDONJSA-N 2 2 295.387 -0.419 20 0 CBADLP C[C@@H](C[NH2+]Cc1ccnn1C)NC(=O)Cn1cc[nH+]c1 ZINC001392628543 900681018 /nfs/dbraw/zinc/68/10/18/900681018.db2.gz NAJHLVWFMASULL-NSHDSACASA-N 2 2 276.344 -0.089 20 0 CBADLP C[C@@H](C[N@H+](C)CCO)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001392683376 900697846 /nfs/dbraw/zinc/69/78/46/900697846.db2.gz SALRXBXOEXEWDP-JTQLQIEISA-N 2 2 284.360 -0.221 20 0 CBADLP C[C@@H](C[N@@H+](C)CCO)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001392683376 900697854 /nfs/dbraw/zinc/69/78/54/900697854.db2.gz SALRXBXOEXEWDP-JTQLQIEISA-N 2 2 284.360 -0.221 20 0 CBADLP C[C@H](C(N)=O)[N@@H+](C)C[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001392715352 900711961 /nfs/dbraw/zinc/71/19/61/900711961.db2.gz HKIKNWVZINNEEQ-WDEREUQCSA-N 2 2 295.387 -0.337 20 0 CBADLP C[C@H](C(N)=O)[N@H+](C)C[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001392715352 900711967 /nfs/dbraw/zinc/71/19/67/900711967.db2.gz HKIKNWVZINNEEQ-WDEREUQCSA-N 2 2 295.387 -0.337 20 0 CBADLP COC[C@@H](O)C[N@H+](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001392726759 900714902 /nfs/dbraw/zinc/71/49/02/900714902.db2.gz TXGLAQFGQRMNJX-NEPJUHHUSA-N 2 2 284.360 -0.673 20 0 CBADLP COC[C@@H](O)C[N@@H+](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001392726759 900714910 /nfs/dbraw/zinc/71/49/10/900714910.db2.gz TXGLAQFGQRMNJX-NEPJUHHUSA-N 2 2 284.360 -0.673 20 0 CBADLP C[C@H]([NH2+]C[C@H](NC(=O)CCc1c[nH]c[nH+]1)C1CC1)C(N)=O ZINC001392764997 900720533 /nfs/dbraw/zinc/72/05/33/900720533.db2.gz NEHIQKBCTGQPFL-CABZTGNLSA-N 2 2 293.371 -0.300 20 0 CBADLP C[C@H]([NH2+]C[C@H](NC(=O)CCc1c[nH+]c[nH]1)C1CC1)C(N)=O ZINC001392764997 900720544 /nfs/dbraw/zinc/72/05/44/900720544.db2.gz NEHIQKBCTGQPFL-CABZTGNLSA-N 2 2 293.371 -0.300 20 0 CBADLP C[C@@H](C(=O)NC1CC1)[N@@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001392857702 900741287 /nfs/dbraw/zinc/74/12/87/900741287.db2.gz WGJZQTSUXTTYFP-WCQYABFASA-N 2 2 296.415 -0.204 20 0 CBADLP C[C@@H](C(=O)NC1CC1)[N@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001392857702 900741294 /nfs/dbraw/zinc/74/12/94/900741294.db2.gz WGJZQTSUXTTYFP-WCQYABFASA-N 2 2 296.415 -0.204 20 0 CBADLP C[C@@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001392846065 900741369 /nfs/dbraw/zinc/74/13/69/900741369.db2.gz IVQHZIOFKFTKOP-VXGBXAGGSA-N 2 2 280.372 -0.076 20 0 CBADLP C[C@@H](O)C[N@H+]1CC[C@@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001392846065 900741377 /nfs/dbraw/zinc/74/13/77/900741377.db2.gz IVQHZIOFKFTKOP-VXGBXAGGSA-N 2 2 280.372 -0.076 20 0 CBADLP C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001392857703 900741974 /nfs/dbraw/zinc/74/19/74/900741974.db2.gz WGJZQTSUXTTYFP-YPMHNXCESA-N 2 2 296.415 -0.204 20 0 CBADLP C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001392857703 900741980 /nfs/dbraw/zinc/74/19/80/900741980.db2.gz WGJZQTSUXTTYFP-YPMHNXCESA-N 2 2 296.415 -0.204 20 0 CBADLP C[C@@H](O)C[N@@H+]1CC[C@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001392846041 900742584 /nfs/dbraw/zinc/74/25/84/900742584.db2.gz IVQHZIOFKFTKOP-NEPJUHHUSA-N 2 2 280.372 -0.076 20 0 CBADLP C[C@@H](O)C[N@H+]1CC[C@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001392846041 900742594 /nfs/dbraw/zinc/74/25/94/900742594.db2.gz IVQHZIOFKFTKOP-NEPJUHHUSA-N 2 2 280.372 -0.076 20 0 CBADLP COC[C@H](O)C[NH+]1CC(N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001393018752 900779060 /nfs/dbraw/zinc/77/90/60/900779060.db2.gz HGESUHRPTZGAEN-CYBMUJFWSA-N 2 2 297.399 -0.768 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC001393044996 900784950 /nfs/dbraw/zinc/78/49/50/900784950.db2.gz HPNGTOIVJXDLAQ-LBPRGKRZSA-N 2 2 293.371 -0.400 20 0 CBADLP CC[C@@H](C(=O)N[C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1)[NH+](C)C ZINC001393092645 900789405 /nfs/dbraw/zinc/78/94/05/900789405.db2.gz TWFBOJVSXWGORE-QWRGUYRKSA-N 2 2 295.387 -0.087 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@@]1(C)CC[N@H+](CC(N)=O)C1 ZINC001393122560 900798159 /nfs/dbraw/zinc/79/81/59/900798159.db2.gz VIJWLROCJXOBIX-ZDUSSCGKSA-N 2 2 279.344 -0.743 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@@]1(C)CC[N@@H+](CC(N)=O)C1 ZINC001393122560 900798170 /nfs/dbraw/zinc/79/81/70/900798170.db2.gz VIJWLROCJXOBIX-ZDUSSCGKSA-N 2 2 279.344 -0.743 20 0 CBADLP COCC[N@@H+]1CC[C@@](O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001393269024 900823046 /nfs/dbraw/zinc/82/30/46/900823046.db2.gz LOBMGLRGPQJXDO-CYBMUJFWSA-N 2 2 282.344 -0.848 20 0 CBADLP COCC[N@H+]1CC[C@@](O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001393269024 900823052 /nfs/dbraw/zinc/82/30/52/900823052.db2.gz LOBMGLRGPQJXDO-CYBMUJFWSA-N 2 2 282.344 -0.848 20 0 CBADLP C[C@@H]([NH2+]CC(N)=O)[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001393394809 900852536 /nfs/dbraw/zinc/85/25/36/900852536.db2.gz YEDZGKWOKYFTRS-VXGBXAGGSA-N 2 2 293.371 -0.415 20 0 CBADLP CC[C@@H](C(=O)N[C@@H]1COC2(C[NH+](CCCO)C2)C1)[NH+](C)C ZINC001393663010 900890963 /nfs/dbraw/zinc/89/09/63/900890963.db2.gz PSHMFQYEACNCJA-STQMWFEESA-N 2 2 299.415 -0.332 20 0 CBADLP C[C@@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1cnn(C)n1 ZINC001393832881 900913541 /nfs/dbraw/zinc/91/35/41/900913541.db2.gz GJQPXKNIRGACJN-NSHDSACASA-N 2 2 291.359 -0.304 20 0 CBADLP C[C@@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1cnon1 ZINC001393833628 900914009 /nfs/dbraw/zinc/91/40/09/900914009.db2.gz SAZAFCMVTFIIQQ-JTQLQIEISA-N 2 2 278.316 -0.049 20 0 CBADLP CNC(=O)C[NH2+]CC1CC(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001393908317 900928698 /nfs/dbraw/zinc/92/86/98/900928698.db2.gz KHCPNYZQYVVSOJ-UHFFFAOYSA-N 2 2 279.344 -0.817 20 0 CBADLP CNC(=O)[C@H](C)[N@H+](C)[C@@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001394091960 900970998 /nfs/dbraw/zinc/97/09/98/900970998.db2.gz KOXISSHMPJIQKF-JQWIXIFHSA-N 2 2 295.387 -0.237 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001394091960 900971001 /nfs/dbraw/zinc/97/10/01/900971001.db2.gz KOXISSHMPJIQKF-JQWIXIFHSA-N 2 2 295.387 -0.237 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001394333650 901012986 /nfs/dbraw/zinc/01/29/86/901012986.db2.gz KRMZMTIWHCLJQO-KKOKHZNYSA-N 2 2 291.355 -0.949 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001394333650 901013001 /nfs/dbraw/zinc/01/30/01/901013001.db2.gz KRMZMTIWHCLJQO-KKOKHZNYSA-N 2 2 291.355 -0.949 20 0 CBADLP CC[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1)C(N)=O ZINC001394375173 901019203 /nfs/dbraw/zinc/01/92/03/901019203.db2.gz TZDLZOQQPMWLRF-GMTAPVOTSA-N 2 2 293.371 -0.300 20 0 CBADLP C[C@@H](CN(C)C(=O)Cc1[nH]cc[nH+]1)[NH2+]CC(=O)N1CCC1 ZINC001394541966 901046630 /nfs/dbraw/zinc/04/66/30/901046630.db2.gz KEQDIWWSUMYRAU-NSHDSACASA-N 2 2 293.371 -0.379 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H](CO)[NH2+]C/C=C\Cl ZINC001394646646 901103196 /nfs/dbraw/zinc/10/31/96/901103196.db2.gz QLYSIDBMNOMBOJ-IYABHPQVSA-N 2 2 272.736 -0.229 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H](CO)[NH2+]CC[C@@H]1CCCO1 ZINC001394644551 901103788 /nfs/dbraw/zinc/10/37/88/901103788.db2.gz MWUUNCAPLDOMJM-RYUDHWBXSA-N 2 2 296.371 -0.412 20 0 CBADLP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc2cscn2)C1 ZINC001394653571 901109880 /nfs/dbraw/zinc/10/98/80/901109880.db2.gz OEIYGHIVJSYBBT-MNOVXSKESA-N 2 2 298.412 -0.339 20 0 CBADLP C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc2cscn2)C1 ZINC001394653571 901109886 /nfs/dbraw/zinc/10/98/86/901109886.db2.gz OEIYGHIVJSYBBT-MNOVXSKESA-N 2 2 298.412 -0.339 20 0 CBADLP C[N@@H+]1CC[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc2cscn2)C1 ZINC001394653568 901110114 /nfs/dbraw/zinc/11/01/14/901110114.db2.gz OEIYGHIVJSYBBT-GHMZBOCLSA-N 2 2 298.412 -0.339 20 0 CBADLP C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc2cscn2)C1 ZINC001394653568 901110117 /nfs/dbraw/zinc/11/01/17/901110117.db2.gz OEIYGHIVJSYBBT-GHMZBOCLSA-N 2 2 298.412 -0.339 20 0 CBADLP CNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001394666154 901116672 /nfs/dbraw/zinc/11/66/72/901116672.db2.gz FZJJHBKXDMWHJL-UWVGGRQHSA-N 2 2 279.344 -0.723 20 0 CBADLP CNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001394666153 901116828 /nfs/dbraw/zinc/11/68/28/901116828.db2.gz FZJJHBKXDMWHJL-NXEZZACHSA-N 2 2 279.344 -0.723 20 0 CBADLP CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001394747824 901140807 /nfs/dbraw/zinc/14/08/07/901140807.db2.gz ZCKCBEOVSUIJPE-VXGBXAGGSA-N 2 2 280.372 -0.126 20 0 CBADLP CO[C@@H](C)C[N@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001394786080 901154223 /nfs/dbraw/zinc/15/42/23/901154223.db2.gz CECUZODZIZCRPQ-QWHCGFSZSA-N 2 2 298.387 -0.331 20 0 CBADLP CO[C@@H](C)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001394786080 901154234 /nfs/dbraw/zinc/15/42/34/901154234.db2.gz CECUZODZIZCRPQ-QWHCGFSZSA-N 2 2 298.387 -0.331 20 0 CBADLP CNC(=O)C[N@H+](C)CCN(C(=O)[C@H]1CC[NH+](C)C1)C(C)C ZINC001394803324 901159036 /nfs/dbraw/zinc/15/90/36/901159036.db2.gz FEHBAZJYIIGSFV-ZDUSSCGKSA-N 2 2 298.431 -0.147 20 0 CBADLP CNC(=O)C[N@@H+](C)CCN(C(=O)[C@H]1CC[NH+](C)C1)C(C)C ZINC001394803324 901159041 /nfs/dbraw/zinc/15/90/41/901159041.db2.gz FEHBAZJYIIGSFV-ZDUSSCGKSA-N 2 2 298.431 -0.147 20 0 CBADLP CNC(=O)C[NH+](C)CCN(C(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC001394803324 901159047 /nfs/dbraw/zinc/15/90/47/901159047.db2.gz FEHBAZJYIIGSFV-ZDUSSCGKSA-N 2 2 298.431 -0.147 20 0 CBADLP CNC(=O)C[NH+](C)CCN(C(=O)[C@H]1CC[N@@H+](C)C1)C(C)C ZINC001394803324 901159053 /nfs/dbraw/zinc/15/90/53/901159053.db2.gz FEHBAZJYIIGSFV-ZDUSSCGKSA-N 2 2 298.431 -0.147 20 0 CBADLP CN(C(=O)CCc1c[nH]c[nH+]1)C1CC([NH2+]CC(N)=O)C1 ZINC001394853657 901165799 /nfs/dbraw/zinc/16/57/99/901165799.db2.gz KMGGGYRMWFRBAH-UHFFFAOYSA-N 2 2 279.344 -0.593 20 0 CBADLP CN(C(=O)CCc1c[nH+]c[nH]1)C1CC([NH2+]CC(N)=O)C1 ZINC001394853657 901165808 /nfs/dbraw/zinc/16/58/08/901165808.db2.gz KMGGGYRMWFRBAH-UHFFFAOYSA-N 2 2 279.344 -0.593 20 0 CBADLP COC[C@H](O)C[NH2+]C1CC(N(C)C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001394862929 901166593 /nfs/dbraw/zinc/16/65/93/901166593.db2.gz SFLNBZOIDSZUIL-HTAVTVPLSA-N 2 2 296.371 -0.462 20 0 CBADLP COC[C@@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001397146365 901368275 /nfs/dbraw/zinc/36/82/75/901368275.db2.gz CJEMILDXRCCNPW-AVGNSLFASA-N 2 2 296.371 -0.625 20 0 CBADLP CC[N@H+](C)CCC(=O)N(C)C[C@@H]1CC[NH+]1CC(=O)NC ZINC001397559649 901431267 /nfs/dbraw/zinc/43/12/67/901431267.db2.gz SJNGWWYHBCZWFX-LBPRGKRZSA-N 2 2 284.404 -0.393 20 0 CBADLP CC[N@@H+](C)CCC(=O)N(C)C[C@@H]1CC[NH+]1CC(=O)NC ZINC001397559649 901431279 /nfs/dbraw/zinc/43/12/79/901431279.db2.gz SJNGWWYHBCZWFX-LBPRGKRZSA-N 2 2 284.404 -0.393 20 0 CBADLP CC[NH+](C)CCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)NC ZINC001397559649 901431292 /nfs/dbraw/zinc/43/12/92/901431292.db2.gz SJNGWWYHBCZWFX-LBPRGKRZSA-N 2 2 284.404 -0.393 20 0 CBADLP CC[NH+](C)CCC(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)NC ZINC001397559649 901431301 /nfs/dbraw/zinc/43/13/01/901431301.db2.gz SJNGWWYHBCZWFX-LBPRGKRZSA-N 2 2 284.404 -0.393 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001397571231 901432831 /nfs/dbraw/zinc/43/28/31/901432831.db2.gz PUNQFIDDFUDBBR-CHWSQXEVSA-N 2 2 296.415 -0.393 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001397571231 901432837 /nfs/dbraw/zinc/43/28/37/901432837.db2.gz PUNQFIDDFUDBBR-CHWSQXEVSA-N 2 2 296.415 -0.393 20 0 CBADLP CNC(=O)C[NH+]1CC[C@@H]1CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001397571231 901432845 /nfs/dbraw/zinc/43/28/45/901432845.db2.gz PUNQFIDDFUDBBR-CHWSQXEVSA-N 2 2 296.415 -0.393 20 0 CBADLP CNC(=O)C[NH+]1CC[C@@H]1CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001397571231 901432848 /nfs/dbraw/zinc/43/28/48/901432848.db2.gz PUNQFIDDFUDBBR-CHWSQXEVSA-N 2 2 296.415 -0.393 20 0 CBADLP CC[C@H](C(=O)N[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1)[NH+](C)C ZINC001397628110 901441801 /nfs/dbraw/zinc/44/18/01/901441801.db2.gz LIEIANIFDXOPII-ZYHUDNBSSA-N 2 2 295.387 -0.087 20 0 CBADLP CN(C)C(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001397638791 901442275 /nfs/dbraw/zinc/44/22/75/901442275.db2.gz ZZNLQFVTUKXEJS-PHIMTYICSA-N 2 2 293.371 -0.475 20 0 CBADLP CC[C@H](C(=O)N[C@H]1CCC[N@H+](CC(=O)N(C)C)C1)[NH+](C)C ZINC001398224770 901510218 /nfs/dbraw/zinc/51/02/18/901510218.db2.gz FGABBHLKLKEDJV-QWHCGFSZSA-N 2 2 298.431 -0.005 20 0 CBADLP CC[C@H](C(=O)N[C@H]1CCC[N@@H+](CC(=O)N(C)C)C1)[NH+](C)C ZINC001398224770 901510225 /nfs/dbraw/zinc/51/02/25/901510225.db2.gz FGABBHLKLKEDJV-QWHCGFSZSA-N 2 2 298.431 -0.005 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)NC[C@H]([NH2+]CC(N)=O)C1CC1 ZINC001398459525 901541707 /nfs/dbraw/zinc/54/17/07/901541707.db2.gz XQRYUXZJIZSLPX-LBPRGKRZSA-N 2 2 293.371 -0.678 20 0 CBADLP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001398573169 901565415 /nfs/dbraw/zinc/56/54/15/901565415.db2.gz ZTALOJXWWGTFEZ-XYPYZODXSA-N 2 2 295.391 -0.711 20 0 CBADLP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001398573169 901565429 /nfs/dbraw/zinc/56/54/29/901565429.db2.gz ZTALOJXWWGTFEZ-XYPYZODXSA-N 2 2 295.391 -0.711 20 0 CBADLP C[NH+](C)CCC(=O)NC1CN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001398684929 901590268 /nfs/dbraw/zinc/59/02/68/901590268.db2.gz RNJJUMSPYQZJLB-UHFFFAOYSA-N 2 2 293.371 -0.379 20 0 CBADLP C[C@@H]([NH2+]C[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1)C(N)=O ZINC001398743032 901600586 /nfs/dbraw/zinc/60/05/86/901600586.db2.gz OCGJRTGUNLHJMV-GHMZBOCLSA-N 2 2 293.371 -0.346 20 0 CBADLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]Cc1cncn1C ZINC001399098164 901664728 /nfs/dbraw/zinc/66/47/28/901664728.db2.gz CJIYGGZRTZMFJR-NSHDSACASA-N 2 2 290.371 -0.009 20 0 CBADLP CCNC(=O)C[NH2+][C@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC001399126401 901673479 /nfs/dbraw/zinc/67/34/79/901673479.db2.gz MZOVOFFBVBSESO-LLVKDONJSA-N 2 2 295.387 -0.417 20 0 CBADLP C[C@@H](CNC(=O)CCc1c[nH+]cn1C)[NH2+][C@H]1CCNC1=O ZINC001399136720 901674247 /nfs/dbraw/zinc/67/42/47/901674247.db2.gz VXLCVDZVDHEHDR-JQWIXIFHSA-N 2 2 293.371 -0.665 20 0 CBADLP CC[C@H](C)NC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001399657628 901770713 /nfs/dbraw/zinc/77/07/13/901770713.db2.gz RZQIGYGKHQRDHA-QWHCGFSZSA-N 2 2 298.431 -0.099 20 0 CBADLP CC[C@H](C)NC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001399657628 901770719 /nfs/dbraw/zinc/77/07/19/901770719.db2.gz RZQIGYGKHQRDHA-QWHCGFSZSA-N 2 2 298.431 -0.099 20 0 CBADLP CC[C@H](C)NC(=O)C[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001399657628 901770724 /nfs/dbraw/zinc/77/07/24/901770724.db2.gz RZQIGYGKHQRDHA-QWHCGFSZSA-N 2 2 298.431 -0.099 20 0 CBADLP CC[C@H](C)NC(=O)C[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001399657628 901770731 /nfs/dbraw/zinc/77/07/31/901770731.db2.gz RZQIGYGKHQRDHA-QWHCGFSZSA-N 2 2 298.431 -0.099 20 0 CBADLP CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001399889177 901825149 /nfs/dbraw/zinc/82/51/49/901825149.db2.gz CURVUGAANQEDPF-ZDUSSCGKSA-N 2 2 296.415 -0.201 20 0 CBADLP CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001399889177 901825155 /nfs/dbraw/zinc/82/51/55/901825155.db2.gz CURVUGAANQEDPF-ZDUSSCGKSA-N 2 2 296.415 -0.201 20 0 CBADLP CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001399879721 901825320 /nfs/dbraw/zinc/82/53/20/901825320.db2.gz PMFRLKYNFQNQQF-QWHCGFSZSA-N 2 2 296.415 -0.203 20 0 CBADLP CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001399879721 901825328 /nfs/dbraw/zinc/82/53/28/901825328.db2.gz PMFRLKYNFQNQQF-QWHCGFSZSA-N 2 2 296.415 -0.203 20 0 CBADLP CCNC(=O)C[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001399879721 901825335 /nfs/dbraw/zinc/82/53/35/901825335.db2.gz PMFRLKYNFQNQQF-QWHCGFSZSA-N 2 2 296.415 -0.203 20 0 CBADLP CCNC(=O)C[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001399879721 901825340 /nfs/dbraw/zinc/82/53/40/901825340.db2.gz PMFRLKYNFQNQQF-QWHCGFSZSA-N 2 2 296.415 -0.203 20 0 CBADLP CC(C)(C(=O)NC[C@@H]1CCC[N@@H+]1CC(N)=O)[NH+]1CCCC1 ZINC001399887152 901825609 /nfs/dbraw/zinc/82/56/09/901825609.db2.gz ZRWMSUUUALIPQE-LBPRGKRZSA-N 2 2 296.415 -0.073 20 0 CBADLP C[C@H]([NH2+]CCN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1)C(N)=O ZINC001400052306 901862166 /nfs/dbraw/zinc/86/21/66/901862166.db2.gz MXJDGFBWCZLNQO-WDEREUQCSA-N 2 2 293.371 -0.633 20 0 CBADLP CN(CC[NH2+][C@H]1CCNC1=O)C(=O)CCc1c[nH+]cn1C ZINC001400082371 901873654 /nfs/dbraw/zinc/87/36/54/901873654.db2.gz SNKSLTRCFVAFDF-LBPRGKRZSA-N 2 2 293.371 -0.711 20 0 CBADLP CCC[N@H+](C)CC(=O)NC1C[NH+](C[C@@H](O)COC)C1 ZINC001400427368 901939484 /nfs/dbraw/zinc/93/94/84/901939484.db2.gz DKUSQUBLMDCGSF-GFCCVEGCSA-N 2 2 273.377 -0.864 20 0 CBADLP CCC[N@@H+](C)CC(=O)NC1C[NH+](C[C@@H](O)COC)C1 ZINC001400427368 901939491 /nfs/dbraw/zinc/93/94/91/901939491.db2.gz DKUSQUBLMDCGSF-GFCCVEGCSA-N 2 2 273.377 -0.864 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001400497174 901956673 /nfs/dbraw/zinc/95/66/73/901956673.db2.gz BLTROSHYEMRXJV-WCQYABFASA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001400497174 901956682 /nfs/dbraw/zinc/95/66/82/901956682.db2.gz BLTROSHYEMRXJV-WCQYABFASA-N 2 2 296.415 -0.217 20 0 CBADLP CC[C@H](C(=O)NCC1C[NH+](CC(=O)N(C)C)C1)[NH+](C)C ZINC001400541140 901964235 /nfs/dbraw/zinc/96/42/35/901964235.db2.gz KDIATVYXPOWIFD-GFCCVEGCSA-N 2 2 284.404 -0.537 20 0 CBADLP CN(C)C(=O)C[NH+]1CC(CNC(=O)C[NH+]2CCCC2)C1 ZINC001400563207 901967416 /nfs/dbraw/zinc/96/74/16/901967416.db2.gz WPDOZMGXJROSAN-UHFFFAOYSA-N 2 2 282.388 -0.782 20 0 CBADLP CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](CC(N)=O)C1)[NH+](C)C ZINC001400614532 901982886 /nfs/dbraw/zinc/98/28/86/901982886.db2.gz TZFCFYKJPDPOKG-JQWIXIFHSA-N 2 2 270.377 -0.752 20 0 CBADLP CC(C)[C@@H](C(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1)[NH+](C)C ZINC001400614532 901982900 /nfs/dbraw/zinc/98/29/00/901982900.db2.gz TZFCFYKJPDPOKG-JQWIXIFHSA-N 2 2 270.377 -0.752 20 0 CBADLP COC[C@H](O)C[N@@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001400734731 902004260 /nfs/dbraw/zinc/00/42/60/902004260.db2.gz SPTOITKOWPARTJ-QWHCGFSZSA-N 2 2 296.371 -0.508 20 0 CBADLP COC[C@H](O)C[N@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001400734731 902004263 /nfs/dbraw/zinc/00/42/63/902004263.db2.gz SPTOITKOWPARTJ-QWHCGFSZSA-N 2 2 296.371 -0.508 20 0 CBADLP CC[C@H](C(=O)N(CC)[C@H]1CC[N@H+](CC(N)=O)C1)[NH+](C)C ZINC001400754219 902008688 /nfs/dbraw/zinc/00/86/88/902008688.db2.gz BAGOMVXXTSKEJR-NWDGAFQWSA-N 2 2 284.404 -0.265 20 0 CBADLP CC[C@H](C(=O)N(CC)[C@H]1CC[N@@H+](CC(N)=O)C1)[NH+](C)C ZINC001400754219 902008692 /nfs/dbraw/zinc/00/86/92/902008692.db2.gz BAGOMVXXTSKEJR-NWDGAFQWSA-N 2 2 284.404 -0.265 20 0 CBADLP CC[C@@H](CNC(=O)c1cc(C[NH+](C)C)on1)[NH2+]CC(N)=O ZINC001400825027 902025481 /nfs/dbraw/zinc/02/54/81/902025481.db2.gz WFKZDCSDGREZDJ-VIFPVBQESA-N 2 2 297.359 -0.681 20 0 CBADLP CC[C@@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)[NH2+]CC(N)=O ZINC001400819140 902025734 /nfs/dbraw/zinc/02/57/34/902025734.db2.gz KVOLNQCYOHKUBO-MNOVXSKESA-N 2 2 293.371 -0.585 20 0 CBADLP CC[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CCn1cncn1 ZINC001400868793 902032812 /nfs/dbraw/zinc/03/28/12/902032812.db2.gz UUNHIAWABRLUOJ-NSHDSACASA-N 2 2 291.359 -0.272 20 0 CBADLP CC[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+][C@H](C)C(=O)N(C)C ZINC001400913288 902037016 /nfs/dbraw/zinc/03/70/16/902037016.db2.gz GKODSYIFZDAENT-NEPJUHHUSA-N 2 2 295.387 -0.156 20 0 CBADLP CNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001401090510 902049283 /nfs/dbraw/zinc/04/92/83/902049283.db2.gz MNRNEEHCFODLAM-LLVKDONJSA-N 2 2 293.371 -0.413 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]1C[NH2+][C@@H](C)C(N)=O ZINC001401092108 902050302 /nfs/dbraw/zinc/05/03/02/902050302.db2.gz XENPNTXTLIQJBR-WDEREUQCSA-N 2 2 293.371 -0.285 20 0 CBADLP Cc1cn(C(C)(C)C(=O)NC[C@@H](C)C[NH2+]CC(N)=O)c[nH+]1 ZINC001401118139 902057036 /nfs/dbraw/zinc/05/70/36/902057036.db2.gz VUCUIDPFAVIFPB-JTQLQIEISA-N 2 2 295.387 -0.246 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]([NH2+]CCO)C(C)C)C1 ZINC001401350002 902106349 /nfs/dbraw/zinc/10/63/49/902106349.db2.gz MLXCZJKPAHIIDO-CHWSQXEVSA-N 2 2 287.404 -0.570 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]([NH2+]CCO)C(C)C)C1 ZINC001401350002 902106339 /nfs/dbraw/zinc/10/63/39/902106339.db2.gz MLXCZJKPAHIIDO-CHWSQXEVSA-N 2 2 287.404 -0.570 20 0 CBADLP CC(C)[C@@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+][C@@H]1CCNC1=O ZINC001401351463 902106881 /nfs/dbraw/zinc/10/68/81/902106881.db2.gz HNKINVCNQOTIIB-CHWSQXEVSA-N 2 2 298.431 -0.055 20 0 CBADLP CC(C)[C@@H](CNC(=O)C[N@@H+](C)C(C)C)[NH2+][C@@H]1CCNC1=O ZINC001401351463 902106892 /nfs/dbraw/zinc/10/68/92/902106892.db2.gz HNKINVCNQOTIIB-CHWSQXEVSA-N 2 2 298.431 -0.055 20 0 CBADLP CC[C@H]([NH2+][C@H](CNC(=O)Cn1cc[nH+]c1)C(C)C)C(N)=O ZINC001401359023 902109339 /nfs/dbraw/zinc/10/93/39/902109339.db2.gz XXCWOUJDUYPOJU-NWDGAFQWSA-N 2 2 295.387 -0.123 20 0 CBADLP Cc1nc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CCC[N@H+]2C)co1 ZINC001401489746 902134474 /nfs/dbraw/zinc/13/44/74/902134474.db2.gz FQPSLUDGQSKIDO-CHWSQXEVSA-N 2 2 296.371 -0.356 20 0 CBADLP Cc1nc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CCC[N@@H+]2C)co1 ZINC001401489746 902134479 /nfs/dbraw/zinc/13/44/79/902134479.db2.gz FQPSLUDGQSKIDO-CHWSQXEVSA-N 2 2 296.371 -0.356 20 0 CBADLP C[C@@H](CC[NH2+][C@H]1CCCNC1=O)NC(=O)Cc1c[nH]c[nH+]1 ZINC001401592765 902178216 /nfs/dbraw/zinc/17/82/16/902178216.db2.gz QDFXJPPUGUTWKL-JQWIXIFHSA-N 2 2 293.371 -0.285 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)CC[NH2+][C@@H]1CCNC1=O ZINC001401598834 902180805 /nfs/dbraw/zinc/18/08/05/902180805.db2.gz HJTPRVDXBHRSQU-GXSJLCMTSA-N 2 2 293.371 -0.366 20 0 CBADLP C[C@H](C[NH2+]Cc1ccn(C)n1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001401619225 902192471 /nfs/dbraw/zinc/19/24/71/902192471.db2.gz LPOZZKSUAVNUFU-YPMHNXCESA-N 2 2 295.387 -0.655 20 0 CBADLP C[C@H](C[NH2+]Cc1ccn(C)n1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001401619225 902192476 /nfs/dbraw/zinc/19/24/76/902192476.db2.gz LPOZZKSUAVNUFU-YPMHNXCESA-N 2 2 295.387 -0.655 20 0 CBADLP C[C@H](C[NH2+][C@H]1CCCNC1=O)NC(=O)Cc1[nH]cc[nH+]1 ZINC001401652993 902208147 /nfs/dbraw/zinc/20/81/47/902208147.db2.gz FZXBOAHQAFUNTH-ZJUUUORDSA-N 2 2 279.344 -0.675 20 0 CBADLP Cc1noc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001401672001 902219277 /nfs/dbraw/zinc/21/92/77/902219277.db2.gz VGKJQRLHPQNBLR-MWLCHTKSSA-N 2 2 281.360 -0.076 20 0 CBADLP Cc1noc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001401672001 902219291 /nfs/dbraw/zinc/21/92/91/902219291.db2.gz VGKJQRLHPQNBLR-MWLCHTKSSA-N 2 2 281.360 -0.076 20 0 CBADLP C[C@@H](C[NH2+]CC(N)=O)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001401689420 902231282 /nfs/dbraw/zinc/23/12/82/902231282.db2.gz IIAWQIFATPLHMS-VHSXEESVSA-N 2 2 279.344 -0.975 20 0 CBADLP CCCNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001401727361 902248879 /nfs/dbraw/zinc/24/88/79/902248879.db2.gz KKJCCEVKVFQRQH-NWDGAFQWSA-N 2 2 295.387 -0.108 20 0 CBADLP CCNC(=O)C[NH2+]C1(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001401986398 902332753 /nfs/dbraw/zinc/33/27/53/902332753.db2.gz QCPYYJGULOIRHM-UHFFFAOYSA-N 2 2 279.344 -0.742 20 0 CBADLP C[C@H]([NH2+]CC(N)=O)[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001402041769 902343155 /nfs/dbraw/zinc/34/31/55/902343155.db2.gz MODXVVISNGMNPL-JQWIXIFHSA-N 2 2 293.371 -0.203 20 0 CBADLP CN(C)C(=O)C[NH2+]C[C@@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001402053162 902347251 /nfs/dbraw/zinc/34/72/51/902347251.db2.gz JOIOQACIIYDUMP-NSHDSACASA-N 2 2 293.371 -0.379 20 0 CBADLP Cn1nnc(C[NH2+]C[C@@H]2CCCN2C(=O)CC[NH+](C)C)n1 ZINC001402059459 902348179 /nfs/dbraw/zinc/34/81/79/902348179.db2.gz NXCNWPQCNMEWQI-NSHDSACASA-N 2 2 295.391 -0.758 20 0 CBADLP CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001402096857 902356206 /nfs/dbraw/zinc/35/62/06/902356206.db2.gz CMUHGYIDVSVSDS-ZDUSSCGKSA-N 2 2 296.415 -0.201 20 0 CBADLP CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001402096857 902356218 /nfs/dbraw/zinc/35/62/18/902356218.db2.gz CMUHGYIDVSVSDS-ZDUSSCGKSA-N 2 2 296.415 -0.201 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001402140669 902372609 /nfs/dbraw/zinc/37/26/09/902372609.db2.gz VGMOLVIOCBGJLV-IUODEOHRSA-N 2 2 296.415 -0.345 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001402140669 902372623 /nfs/dbraw/zinc/37/26/23/902372623.db2.gz VGMOLVIOCBGJLV-IUODEOHRSA-N 2 2 296.415 -0.345 20 0 CBADLP CNC(=O)C[NH+]1CC[C@@](C)(NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001402140669 902372635 /nfs/dbraw/zinc/37/26/35/902372635.db2.gz VGMOLVIOCBGJLV-IUODEOHRSA-N 2 2 296.415 -0.345 20 0 CBADLP CNC(=O)C[NH+]1CC[C@@](C)(NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001402140669 902372648 /nfs/dbraw/zinc/37/26/48/902372648.db2.gz VGMOLVIOCBGJLV-IUODEOHRSA-N 2 2 296.415 -0.345 20 0 CBADLP C[C@H](O)C[NH+]1CC(O)(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001402344245 902429432 /nfs/dbraw/zinc/42/94/32/902429432.db2.gz XKQFGPBBIVPGIM-NSHDSACASA-N 2 2 285.388 -0.986 20 0 CBADLP C[C@H](O)C[NH+]1CC(O)(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001402344245 902429444 /nfs/dbraw/zinc/42/94/44/902429444.db2.gz XKQFGPBBIVPGIM-NSHDSACASA-N 2 2 285.388 -0.986 20 0 CBADLP CO[C@H](C)C[NH+]1CC(O)(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001402374579 902438569 /nfs/dbraw/zinc/43/85/69/902438569.db2.gz SSFVVCUZBYMASG-CHWSQXEVSA-N 2 2 299.415 -0.474 20 0 CBADLP CO[C@H](C)C[NH+]1CC(O)(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001402374579 902438571 /nfs/dbraw/zinc/43/85/71/902438571.db2.gz SSFVVCUZBYMASG-CHWSQXEVSA-N 2 2 299.415 -0.474 20 0 CBADLP CO[C@H](C)C[NH+]1CC(O)(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001402374582 902438810 /nfs/dbraw/zinc/43/88/10/902438810.db2.gz SSFVVCUZBYMASG-OLZOCXBDSA-N 2 2 299.415 -0.474 20 0 CBADLP CO[C@H](C)C[NH+]1CC(O)(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001402374582 902438818 /nfs/dbraw/zinc/43/88/18/902438818.db2.gz SSFVVCUZBYMASG-OLZOCXBDSA-N 2 2 299.415 -0.474 20 0 CBADLP CO[C@H](C)C[NH+]1CC(O)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001402378648 902441127 /nfs/dbraw/zinc/44/11/27/902441127.db2.gz DYDKOUHYVRXKRO-LLVKDONJSA-N 2 2 296.371 -0.611 20 0 CBADLP CNC(=O)C[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC001402412055 902446169 /nfs/dbraw/zinc/44/61/69/902446169.db2.gz OLVXSWAZPFUPEN-RYUDHWBXSA-N 2 2 293.371 -0.687 20 0 CBADLP NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CCn2cc[nH+]c2)CC1 ZINC001402614362 902489899 /nfs/dbraw/zinc/48/98/99/902489899.db2.gz BGWRFFVCSHDDLM-GFCCVEGCSA-N 2 2 293.371 -0.271 20 0 CBADLP NC(=O)C[N@H+]1CCC[C@@H](NC(=O)CCn2cc[nH+]c2)CC1 ZINC001402614362 902489909 /nfs/dbraw/zinc/48/99/09/902489909.db2.gz BGWRFFVCSHDDLM-GFCCVEGCSA-N 2 2 293.371 -0.271 20 0 CBADLP COC[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001402626439 902492945 /nfs/dbraw/zinc/49/29/45/902492945.db2.gz ANMNKLQDGPPIPU-AXFHLTTASA-N 2 2 282.344 -0.804 20 0 CBADLP C[C@H]([NH2+]C[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1)C(N)=O ZINC001402699669 902504587 /nfs/dbraw/zinc/50/45/87/902504587.db2.gz WTGGFEAWMNMLAC-QWRGUYRKSA-N 2 2 293.371 -0.346 20 0 CBADLP CC[N@H+](C)CCC(=O)N[C@@H]1COC2(C[NH+](C[C@@H](C)O)C2)C1 ZINC001402708973 902504645 /nfs/dbraw/zinc/50/46/45/902504645.db2.gz FGIOMRDVIUIZDF-OLZOCXBDSA-N 2 2 299.415 -0.332 20 0 CBADLP CC[N@@H+](C)CCC(=O)N[C@@H]1COC2(C[NH+](C[C@@H](C)O)C2)C1 ZINC001402708973 902504658 /nfs/dbraw/zinc/50/46/58/902504658.db2.gz FGIOMRDVIUIZDF-OLZOCXBDSA-N 2 2 299.415 -0.332 20 0 CBADLP C[C@H]1C[C@@H](NC(=O)CCn2cc[nH+]c2)CC[N@@H+]1CC(N)=O ZINC001402831323 902528415 /nfs/dbraw/zinc/52/84/15/902528415.db2.gz YWWVLAUHYFCICX-RYUDHWBXSA-N 2 2 293.371 -0.272 20 0 CBADLP C[C@H]1C[C@@H](NC(=O)CCn2cc[nH+]c2)CC[N@H+]1CC(N)=O ZINC001402831323 902528417 /nfs/dbraw/zinc/52/84/17/902528417.db2.gz YWWVLAUHYFCICX-RYUDHWBXSA-N 2 2 293.371 -0.272 20 0 CBADLP Cc1nocc1C[NH2+][C@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001402867413 902545915 /nfs/dbraw/zinc/54/59/15/902545915.db2.gz NMTGIVBAXDMTCA-ZWNOBZJWSA-N 2 2 296.371 -0.092 20 0 CBADLP Cc1nocc1C[NH2+][C@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001402867413 902545924 /nfs/dbraw/zinc/54/59/24/902545924.db2.gz NMTGIVBAXDMTCA-ZWNOBZJWSA-N 2 2 296.371 -0.092 20 0 CBADLP C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)[C@H](C)[NH2+]CC(=O)N(C)C ZINC001403021668 902595609 /nfs/dbraw/zinc/59/56/09/902595609.db2.gz QSAQRQYWTHBOQS-WDEREUQCSA-N 2 2 295.387 -0.087 20 0 CBADLP C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)[C@H](C)[NH2+]CC(=O)N(C)C ZINC001403021668 902595617 /nfs/dbraw/zinc/59/56/17/902595617.db2.gz QSAQRQYWTHBOQS-WDEREUQCSA-N 2 2 295.387 -0.087 20 0 CBADLP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@@H](C)[NH2+]CC(=O)N(C)C ZINC001403055903 902601540 /nfs/dbraw/zinc/60/15/40/902601540.db2.gz UYTFCMJELPCEAK-GHMZBOCLSA-N 2 2 281.360 -0.546 20 0 CBADLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]Cc1nccn1C ZINC001403082110 902609870 /nfs/dbraw/zinc/60/98/70/902609870.db2.gz MGLXMAIXFGPXQN-NSHDSACASA-N 2 2 290.371 -0.009 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001403096898 902615693 /nfs/dbraw/zinc/61/56/93/902615693.db2.gz NITNYXBFXYWABE-SCZZXKLOSA-N 2 2 281.360 -0.511 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001403096885 902616229 /nfs/dbraw/zinc/61/62/29/902616229.db2.gz NITNYXBFXYWABE-PSASIEDQSA-N 2 2 281.360 -0.511 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)CCCn1cc[nH+]c1 ZINC001403142472 902626490 /nfs/dbraw/zinc/62/64/90/902626490.db2.gz QDNHJEUYZWABNY-VXGBXAGGSA-N 2 2 295.387 -0.108 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+](C)[C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001403216080 902649844 /nfs/dbraw/zinc/64/98/44/902649844.db2.gz JLSXGLMCZJIOHF-WDEREUQCSA-N 2 2 281.360 -0.546 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001403216080 902649850 /nfs/dbraw/zinc/64/98/50/902649850.db2.gz JLSXGLMCZJIOHF-WDEREUQCSA-N 2 2 281.360 -0.546 20 0 CBADLP CC(C)[NH+]1CC(CCO)(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001403244574 902658864 /nfs/dbraw/zinc/65/88/64/902658864.db2.gz LNQPEKQJZRAZNG-UHFFFAOYSA-N 2 2 299.415 -0.330 20 0 CBADLP C[C@H]([NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1)C(N)=O ZINC001403279807 902661356 /nfs/dbraw/zinc/66/13/56/902661356.db2.gz ZDPSTHBIEGTRQH-QWRGUYRKSA-N 2 2 279.344 -0.805 20 0 CBADLP C[C@H]([NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1)C(N)=O ZINC001403278496 902662024 /nfs/dbraw/zinc/66/20/24/902662024.db2.gz SIJGTCDRFHRKDY-QWRGUYRKSA-N 2 2 293.371 -0.726 20 0 CBADLP C[C@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1nnn(C)n1 ZINC001403350275 902674645 /nfs/dbraw/zinc/67/46/45/902674645.db2.gz PJUINVAKLHPPJB-GHMZBOCLSA-N 2 2 295.391 -0.711 20 0 CBADLP C[C@H](CCNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1nnn(C)n1 ZINC001403350275 902674649 /nfs/dbraw/zinc/67/46/49/902674649.db2.gz PJUINVAKLHPPJB-GHMZBOCLSA-N 2 2 295.391 -0.711 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001403443033 902691686 /nfs/dbraw/zinc/69/16/86/902691686.db2.gz UHAYOCGGUOYWCM-GMTAPVOTSA-N 2 2 293.371 -0.429 20 0 CBADLP CCNC(=O)C[N@@H+](C)CCNC(=O)C[NH+](C)C1CCC1 ZINC001403576927 902738223 /nfs/dbraw/zinc/73/82/23/902738223.db2.gz OYWWOBGHFVXVNW-UHFFFAOYSA-N 2 2 284.404 -0.345 20 0 CBADLP CCNC(=O)C[NH+](C)CCNC(=O)C[N@H+](C)C1CCC1 ZINC001403576927 902738231 /nfs/dbraw/zinc/73/82/31/902738231.db2.gz OYWWOBGHFVXVNW-UHFFFAOYSA-N 2 2 284.404 -0.345 20 0 CBADLP CCNC(=O)C[NH+](C)CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001403576927 902738243 /nfs/dbraw/zinc/73/82/43/902738243.db2.gz OYWWOBGHFVXVNW-UHFFFAOYSA-N 2 2 284.404 -0.345 20 0 CBADLP C[C@H](CN(C)C(=O)Cc1[nH]cc[nH+]1)[NH2+][C@H]1CCN(C)C1=O ZINC001403616821 902751567 /nfs/dbraw/zinc/75/15/67/902751567.db2.gz UHGFJURFHVZRFP-MNOVXSKESA-N 2 2 293.371 -0.381 20 0 CBADLP CC(C)[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc1ccon1)[NH+](C)C ZINC001403675470 902791887 /nfs/dbraw/zinc/79/18/87/902791887.db2.gz XYXFEYZWNJYPOJ-OLZOCXBDSA-N 2 2 298.387 -0.173 20 0 CBADLP CC[C@H](C(=O)NCC[N@@H+](C)CC(=O)NC1CC1)[NH+](C)C ZINC001403743864 902833586 /nfs/dbraw/zinc/83/35/86/902833586.db2.gz SWEIZNDNDWMDGA-GFCCVEGCSA-N 2 2 284.404 -0.347 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@H](CO)[NH2+]Cc1cncs1 ZINC001403749539 902838014 /nfs/dbraw/zinc/83/80/14/902838014.db2.gz PIKIKRNYHRIUFV-SNVBAGLBSA-N 2 2 295.368 -0.394 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NCC[N@@H+](C)CC(=O)NC(C)C ZINC001403766445 902844214 /nfs/dbraw/zinc/84/42/14/902844214.db2.gz MZAIPQHQXUYFFR-UHFFFAOYSA-N 2 2 295.387 -0.236 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NCC[N@H+](C)CC(=O)NC(C)C ZINC001403766445 902844229 /nfs/dbraw/zinc/84/42/29/902844229.db2.gz MZAIPQHQXUYFFR-UHFFFAOYSA-N 2 2 295.387 -0.236 20 0 CBADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH+](C)[C@H]1CCNC1=O ZINC001403782784 902846510 /nfs/dbraw/zinc/84/65/10/902846510.db2.gz CLUJQYLACGZVCM-QWHCGFSZSA-N 2 2 296.415 -0.203 20 0 CBADLP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH+](C)[C@H]1CCNC1=O ZINC001403782784 902846527 /nfs/dbraw/zinc/84/65/27/902846527.db2.gz CLUJQYLACGZVCM-QWHCGFSZSA-N 2 2 296.415 -0.203 20 0 CBADLP CC[NH+]1CCCC[C@@H]1C(=O)NCC[N@H+](C)[C@H]1CCNC1=O ZINC001403782784 902846535 /nfs/dbraw/zinc/84/65/35/902846535.db2.gz CLUJQYLACGZVCM-QWHCGFSZSA-N 2 2 296.415 -0.203 20 0 CBADLP CC[NH+]1CCCC[C@@H]1C(=O)NCC[N@@H+](C)[C@H]1CCNC1=O ZINC001403782784 902846547 /nfs/dbraw/zinc/84/65/47/902846547.db2.gz CLUJQYLACGZVCM-QWHCGFSZSA-N 2 2 296.415 -0.203 20 0 CBADLP NC(=O)C[NH2+]C[C@@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001403815258 902857533 /nfs/dbraw/zinc/85/75/33/902857533.db2.gz OOCBZFKCGQMTDC-MNOVXSKESA-N 2 2 279.344 -0.757 20 0 CBADLP CN(C[C@H](O)C[NH2+]C[C@@H]1CCOC1)C(=O)Cc1[nH]cc[nH+]1 ZINC001403870165 902883497 /nfs/dbraw/zinc/88/34/97/902883497.db2.gz INMXNFWUHCXMKG-NWDGAFQWSA-N 2 2 296.371 -0.602 20 0 CBADLP CN(C)C(=O)C[NH2+]C1CC(N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001404014843 902923659 /nfs/dbraw/zinc/92/36/59/902923659.db2.gz DJKAZAGCUCRCQG-UHFFFAOYSA-N 2 2 293.371 -0.381 20 0 CBADLP CCN1CC[C@@H]([NH2+]CCN(C)C(=O)Cc2c[nH+]c[nH]2)C1=O ZINC001404310663 902970164 /nfs/dbraw/zinc/97/01/64/902970164.db2.gz CHRDTNPFZGJGEG-GFCCVEGCSA-N 2 2 293.371 -0.379 20 0 CBADLP CN(CC[NH2+][C@H]1CCN(C)C1=O)C(=O)Cn1cc[nH+]c1 ZINC001404325419 902974688 /nfs/dbraw/zinc/97/46/88/902974688.db2.gz LPLPFOIRCIJJDV-NSHDSACASA-N 2 2 279.344 -0.838 20 0 CBADLP CC[C@@H]([NH2+]CCN(C)C(=O)Cc1[nH]c[nH+]c1C)C(N)=O ZINC001404334905 902976517 /nfs/dbraw/zinc/97/65/17/902976517.db2.gz CLSBMYGMLJKIOF-SNVBAGLBSA-N 2 2 281.360 -0.427 20 0 CBADLP C[C@H](CNC(=O)CC[NH+](C)C)N(C)C(=O)Cn1cc[nH+]c1 ZINC001404473605 902989085 /nfs/dbraw/zinc/98/90/85/902989085.db2.gz IXILAPOPSCEAQX-GFCCVEGCSA-N 2 2 295.387 -0.202 20 0 CBADLP CNC(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001404588663 903005292 /nfs/dbraw/zinc/00/52/92/903005292.db2.gz LMIDRKMKJVJZDQ-NSHDSACASA-N 2 2 293.371 -0.522 20 0 CBADLP CNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001404588663 903005303 /nfs/dbraw/zinc/00/53/03/903005303.db2.gz LMIDRKMKJVJZDQ-NSHDSACASA-N 2 2 293.371 -0.522 20 0 CBADLP COC[C@H](O)C[NH+]1CC(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001404762202 903023738 /nfs/dbraw/zinc/02/37/38/903023738.db2.gz BQCJLHPPNAWTAO-ZIAGYGMSSA-N 2 2 297.399 -0.864 20 0 CBADLP COC[C@H](O)C[NH+]1CC(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001404817301 903033880 /nfs/dbraw/zinc/03/38/80/903033880.db2.gz BPLCGNLAQPCFKY-CQSZACIVSA-N 2 2 299.415 -0.474 20 0 CBADLP CC[C@H](C(=O)NCC1C[NH+]([C@H](C)C(=O)NC)C1)[NH+](C)C ZINC001404887166 903049571 /nfs/dbraw/zinc/04/95/71/903049571.db2.gz UMGXUVFQIXZLGV-ZYHUDNBSSA-N 2 2 284.404 -0.491 20 0 CBADLP CNC(=O)C[NH+]1CC(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001404923275 903055756 /nfs/dbraw/zinc/05/57/56/903055756.db2.gz APEJAOJTBNXSMI-TXEJJXNPSA-N 2 2 296.415 -0.347 20 0 CBADLP CNC(=O)C[NH+]1CC(CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001404923275 903055770 /nfs/dbraw/zinc/05/57/70/903055770.db2.gz APEJAOJTBNXSMI-TXEJJXNPSA-N 2 2 296.415 -0.347 20 0 CBADLP CNC(=O)C[NH+]1CC(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001404923286 903055852 /nfs/dbraw/zinc/05/58/52/903055852.db2.gz APEJAOJTBNXSMI-VXGBXAGGSA-N 2 2 296.415 -0.347 20 0 CBADLP CC[C@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+][C@H]1CCNC1=O ZINC001405328410 903147976 /nfs/dbraw/zinc/14/79/76/903147976.db2.gz BESNTRYCBFEYBB-PWSUYJOCSA-N 2 2 293.371 -0.665 20 0 CBADLP CC[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1ncnn1C ZINC001405358744 903153404 /nfs/dbraw/zinc/15/34/04/903153404.db2.gz DNULDKDRNPZWLL-NSHDSACASA-N 2 2 291.359 -0.304 20 0 CBADLP CCNC(=O)C[NH2+][C@H](CC)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001405360101 903154449 /nfs/dbraw/zinc/15/44/49/903154449.db2.gz VTXZSNPLAOZUAM-LLVKDONJSA-N 2 2 295.387 -0.119 20 0 CBADLP NC(=O)C[NH+]1CCC(CCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001405578991 903179741 /nfs/dbraw/zinc/17/97/41/903179741.db2.gz KEPJRDVOUDEROY-UHFFFAOYSA-N 2 2 293.371 -0.413 20 0 CBADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)C[NH2+][C@H]1CCNC1=O ZINC001405701098 903204116 /nfs/dbraw/zinc/20/41/16/903204116.db2.gz ZIRKCOCRRGRDOS-ONGXEEELSA-N 2 2 279.344 -0.817 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)Cc1c[nH+]cn1C ZINC001405873036 903242892 /nfs/dbraw/zinc/24/28/92/903242892.db2.gz NWKCFVGJCWMQDI-SNVBAGLBSA-N 2 2 281.360 -0.855 20 0 CBADLP C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)C(C)(C)c1c[nH+]c[nH]1)C(N)=O ZINC001405873959 903242991 /nfs/dbraw/zinc/24/29/91/903242991.db2.gz PHGKUKRRIDHEBO-VHSXEESVSA-N 2 2 295.387 -0.002 20 0 CBADLP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2C[NH+](CCCO)CCO2)C1 ZINC001405891613 903244786 /nfs/dbraw/zinc/24/47/86/903244786.db2.gz SDGMXMAKVOPJIG-KGLIPLIRSA-N 2 2 299.415 -0.472 20 0 CBADLP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2C[NH+](CCCO)CCO2)C1 ZINC001405891613 903244797 /nfs/dbraw/zinc/24/47/97/903244797.db2.gz SDGMXMAKVOPJIG-KGLIPLIRSA-N 2 2 299.415 -0.472 20 0 CBADLP C[C@@H]1CC[NH+](CC(=O)NC[C@H]2C[N@H+](CCCO)CCO2)C1 ZINC001405891613 903244807 /nfs/dbraw/zinc/24/48/07/903244807.db2.gz SDGMXMAKVOPJIG-KGLIPLIRSA-N 2 2 299.415 -0.472 20 0 CBADLP C[C@@H]1CC[NH+](CC(=O)NC[C@H]2C[N@@H+](CCCO)CCO2)C1 ZINC001405891613 903244817 /nfs/dbraw/zinc/24/48/17/903244817.db2.gz SDGMXMAKVOPJIG-KGLIPLIRSA-N 2 2 299.415 -0.472 20 0 CBADLP CN(CC[N@H+](C)CC(N)=O)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001406105484 903266887 /nfs/dbraw/zinc/26/68/87/903266887.db2.gz YQNMCGFJVJKCDH-LBPRGKRZSA-N 2 2 282.388 -0.796 20 0 CBADLP CN(CC[N@@H+](C)CC(N)=O)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001406105484 903266901 /nfs/dbraw/zinc/26/69/01/903266901.db2.gz YQNMCGFJVJKCDH-LBPRGKRZSA-N 2 2 282.388 -0.796 20 0 CBADLP CN(CC[N@H+](C)CC(N)=O)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001406105478 903267860 /nfs/dbraw/zinc/26/78/60/903267860.db2.gz YQNMCGFJVJKCDH-GFCCVEGCSA-N 2 2 282.388 -0.796 20 0 CBADLP CN(CC[N@@H+](C)CC(N)=O)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001406105478 903267869 /nfs/dbraw/zinc/26/78/69/903267869.db2.gz YQNMCGFJVJKCDH-GFCCVEGCSA-N 2 2 282.388 -0.796 20 0 CBADLP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)CC(N)=O ZINC001406115210 903274314 /nfs/dbraw/zinc/27/43/14/903274314.db2.gz RLYHHPMSYYDCKU-ZDUSSCGKSA-N 2 2 298.431 -0.018 20 0 CBADLP CC(C)C[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)CC(N)=O ZINC001406115210 903274320 /nfs/dbraw/zinc/27/43/20/903274320.db2.gz RLYHHPMSYYDCKU-ZDUSSCGKSA-N 2 2 298.431 -0.018 20 0 CBADLP CC(C)C[NH+]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)CC(N)=O ZINC001406115210 903274324 /nfs/dbraw/zinc/27/43/24/903274324.db2.gz RLYHHPMSYYDCKU-ZDUSSCGKSA-N 2 2 298.431 -0.018 20 0 CBADLP CC(C)C[NH+]1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)CC(N)=O ZINC001406115210 903274333 /nfs/dbraw/zinc/27/43/33/903274333.db2.gz RLYHHPMSYYDCKU-ZDUSSCGKSA-N 2 2 298.431 -0.018 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001406185970 903288709 /nfs/dbraw/zinc/28/87/09/903288709.db2.gz KIEJPWXSKBLVPE-JQWIXIFHSA-N 2 2 293.371 -0.427 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1ncccn1 ZINC001406223897 903310144 /nfs/dbraw/zinc/31/01/44/903310144.db2.gz RRCYNWWOZSCPCG-RYUDHWBXSA-N 2 2 293.371 -0.863 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1ncccn1 ZINC001406223897 903310163 /nfs/dbraw/zinc/31/01/63/903310163.db2.gz RRCYNWWOZSCPCG-RYUDHWBXSA-N 2 2 293.371 -0.863 20 0 CBADLP CC[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1nnc(C)[nH]1)[NH+](C)C ZINC001406278426 903338020 /nfs/dbraw/zinc/33/80/20/903338020.db2.gz ITVFBLXFWYYMCK-MNOVXSKESA-N 2 2 298.391 -0.980 20 0 CBADLP C[N@@H+]1CC[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2cnsn2)C1 ZINC001406301373 903346857 /nfs/dbraw/zinc/34/68/57/903346857.db2.gz ZYYWKUPQPSSASE-GXSJLCMTSA-N 2 2 299.400 -0.944 20 0 CBADLP C[N@H+]1CC[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2cnsn2)C1 ZINC001406301373 903346869 /nfs/dbraw/zinc/34/68/69/903346869.db2.gz ZYYWKUPQPSSASE-GXSJLCMTSA-N 2 2 299.400 -0.944 20 0 CBADLP CCN(CC[NH2+][C@H]1CCCNC1=O)C(=O)Cc1[nH]cc[nH+]1 ZINC001406323393 903356684 /nfs/dbraw/zinc/35/66/84/903356684.db2.gz CKGQXESQSFTGBN-NSHDSACASA-N 2 2 293.371 -0.331 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]CC[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001406327097 903359058 /nfs/dbraw/zinc/35/90/58/903359058.db2.gz YOODWPJBHPKQMN-QWRGUYRKSA-N 2 2 295.387 -0.419 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]CC[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001406327093 903359807 /nfs/dbraw/zinc/35/98/07/903359807.db2.gz YOODWPJBHPKQMN-GHMZBOCLSA-N 2 2 295.387 -0.419 20 0 CBADLP C[C@H](C[NH2+]Cc1cnn(C)c1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001406337141 903364148 /nfs/dbraw/zinc/36/41/48/903364148.db2.gz MFXZGPJTLAFJMI-YPMHNXCESA-N 2 2 295.387 -0.655 20 0 CBADLP C[C@H](C[NH2+]Cc1cnn(C)c1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001406337141 903364162 /nfs/dbraw/zinc/36/41/62/903364162.db2.gz MFXZGPJTLAFJMI-YPMHNXCESA-N 2 2 295.387 -0.655 20 0 CBADLP C[C@@H](C[NH+](C)CC(N)=O)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001406614210 903447817 /nfs/dbraw/zinc/44/78/17/903447817.db2.gz HAHWFZKDQUPTIB-QWRGUYRKSA-N 2 2 270.377 -0.608 20 0 CBADLP C[C@@H](C[NH+](C)CC(N)=O)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001406614210 903447822 /nfs/dbraw/zinc/44/78/22/903447822.db2.gz HAHWFZKDQUPTIB-QWRGUYRKSA-N 2 2 270.377 -0.608 20 0 CBADLP C[C@@H](C[N@H+](C)CC(N)=O)NC(=O)[C@@H]1CCCC[NH+]1C ZINC001406614210 903447808 /nfs/dbraw/zinc/44/78/08/903447808.db2.gz HAHWFZKDQUPTIB-QWRGUYRKSA-N 2 2 270.377 -0.608 20 0 CBADLP C[C@@H](C[N@@H+](C)CC(N)=O)NC(=O)[C@@H]1CCCC[NH+]1C ZINC001406614210 903447812 /nfs/dbraw/zinc/44/78/12/903447812.db2.gz HAHWFZKDQUPTIB-QWRGUYRKSA-N 2 2 270.377 -0.608 20 0 CBADLP C[C@@H](C[N@H+](C)[C@@H](C)C(N)=O)NC(=O)Cc1c[nH+]cn1C ZINC001406697256 903466003 /nfs/dbraw/zinc/46/60/03/903466003.db2.gz PVJXKTYGWFPMFD-UWVGGRQHSA-N 2 2 281.360 -0.727 20 0 CBADLP C[C@@H](C[N@@H+](C)[C@@H](C)C(N)=O)NC(=O)Cc1c[nH+]cn1C ZINC001406697256 903466011 /nfs/dbraw/zinc/46/60/11/903466011.db2.gz PVJXKTYGWFPMFD-UWVGGRQHSA-N 2 2 281.360 -0.727 20 0 CBADLP NC(=O)C[NH2+]C[C@H](NC(=O)CCn1cc[nH+]c1)C1CC1 ZINC001406765560 903475758 /nfs/dbraw/zinc/47/57/58/903475758.db2.gz BBJGHFQWSACYPD-NSHDSACASA-N 2 2 279.344 -0.757 20 0 CBADLP COC[C@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001406853830 903493942 /nfs/dbraw/zinc/49/39/42/903493942.db2.gz XOPTXZSKROEFLH-CHWSQXEVSA-N 2 2 296.371 -0.529 20 0 CBADLP COC[C@H](O)C[N@H+]1CC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001406853830 903493951 /nfs/dbraw/zinc/49/39/51/903493951.db2.gz XOPTXZSKROEFLH-CHWSQXEVSA-N 2 2 296.371 -0.529 20 0 CBADLP C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001406866790 903496765 /nfs/dbraw/zinc/49/67/65/903496765.db2.gz QXUKLROWSJJMCF-NWDGAFQWSA-N 2 2 284.404 -0.395 20 0 CBADLP C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001406866790 903496774 /nfs/dbraw/zinc/49/67/74/903496774.db2.gz QXUKLROWSJJMCF-NWDGAFQWSA-N 2 2 284.404 -0.395 20 0 CBADLP C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001406866784 903498880 /nfs/dbraw/zinc/49/88/80/903498880.db2.gz QXUKLROWSJJMCF-NEPJUHHUSA-N 2 2 284.404 -0.395 20 0 CBADLP C[C@H](C(=O)N(C)C)[N@H+]1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001406866784 903498888 /nfs/dbraw/zinc/49/88/88/903498888.db2.gz QXUKLROWSJJMCF-NEPJUHHUSA-N 2 2 284.404 -0.395 20 0 CBADLP COC[C@@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001406876691 903502718 /nfs/dbraw/zinc/50/27/18/903502718.db2.gz KXQMQKHNLNDOTG-NEPJUHHUSA-N 2 2 296.371 -0.542 20 0 CBADLP COC[C@@H](O)C[N@H+]1CC[C@@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001406876691 903502729 /nfs/dbraw/zinc/50/27/29/903502729.db2.gz KXQMQKHNLNDOTG-NEPJUHHUSA-N 2 2 296.371 -0.542 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NC[C@H]1CC[NH+]1[C@H]1CCCNC1=O ZINC001406898760 903504942 /nfs/dbraw/zinc/50/49/42/903504942.db2.gz LHOXSZUBZZYVBU-OLZOCXBDSA-N 2 2 296.415 -0.204 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NC[C@H]1CC[NH+]1[C@H]1CCCNC1=O ZINC001406898760 903504957 /nfs/dbraw/zinc/50/49/57/903504957.db2.gz LHOXSZUBZZYVBU-OLZOCXBDSA-N 2 2 296.415 -0.204 20 0 CBADLP CC(C)[NH+](C)CC(=O)NC[C@H]1CC[N@@H+]1[C@H]1CCCNC1=O ZINC001406898760 903504970 /nfs/dbraw/zinc/50/49/70/903504970.db2.gz LHOXSZUBZZYVBU-OLZOCXBDSA-N 2 2 296.415 -0.204 20 0 CBADLP CC(C)[NH+](C)CC(=O)NC[C@H]1CC[N@H+]1[C@H]1CCCNC1=O ZINC001406898760 903504985 /nfs/dbraw/zinc/50/49/85/903504985.db2.gz LHOXSZUBZZYVBU-OLZOCXBDSA-N 2 2 296.415 -0.204 20 0 CBADLP CC[C@@H]([NH2+]C1(CNC(=O)CCn2cc[nH+]c2)CC1)C(N)=O ZINC001406962611 903518529 /nfs/dbraw/zinc/51/85/29/903518529.db2.gz XRJBRMNOWSETOO-LLVKDONJSA-N 2 2 293.371 -0.225 20 0 CBADLP CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001407118168 903544358 /nfs/dbraw/zinc/54/43/58/903544358.db2.gz TZOFSNSFHXNCTH-LBPRGKRZSA-N 2 2 293.371 -0.331 20 0 CBADLP CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001407118166 903544457 /nfs/dbraw/zinc/54/44/57/903544457.db2.gz TZOFSNSFHXNCTH-GFCCVEGCSA-N 2 2 293.371 -0.331 20 0 CBADLP CCNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001407208582 903556790 /nfs/dbraw/zinc/55/67/90/903556790.db2.gz RCQBEEBHJSYFLE-SWLSCSKDSA-N 2 2 296.415 -0.203 20 0 CBADLP CCNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001407208582 903556802 /nfs/dbraw/zinc/55/68/02/903556802.db2.gz RCQBEEBHJSYFLE-SWLSCSKDSA-N 2 2 296.415 -0.203 20 0 CBADLP CCNC(=O)C[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001407208582 903556819 /nfs/dbraw/zinc/55/68/19/903556819.db2.gz RCQBEEBHJSYFLE-SWLSCSKDSA-N 2 2 296.415 -0.203 20 0 CBADLP CCNC(=O)C[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001407208582 903556826 /nfs/dbraw/zinc/55/68/26/903556826.db2.gz RCQBEEBHJSYFLE-SWLSCSKDSA-N 2 2 296.415 -0.203 20 0 CBADLP COCC[N@@H+]1CC[C@@](O)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001407378837 903587163 /nfs/dbraw/zinc/58/71/63/903587163.db2.gz VLGQMAMVSDBEMQ-CQSZACIVSA-N 2 2 296.371 -0.838 20 0 CBADLP COCC[N@H+]1CC[C@@](O)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001407378837 903587182 /nfs/dbraw/zinc/58/71/82/903587182.db2.gz VLGQMAMVSDBEMQ-CQSZACIVSA-N 2 2 296.371 -0.838 20 0 CBADLP C[C@@H](O)C[NH+]1CC(O)(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001407421932 903603231 /nfs/dbraw/zinc/60/32/31/903603231.db2.gz ZDBCTCMXPCNSQV-NEPJUHHUSA-N 2 2 285.388 -0.986 20 0 CBADLP C[C@@H](O)C[NH+]1CC(O)(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001407421932 903603233 /nfs/dbraw/zinc/60/32/33/903603233.db2.gz ZDBCTCMXPCNSQV-NEPJUHHUSA-N 2 2 285.388 -0.986 20 0 CBADLP C[C@H](O)CCC[NH+]1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001407466261 903612926 /nfs/dbraw/zinc/61/29/26/903612926.db2.gz GWXNQIYIPXJEHP-STQMWFEESA-N 2 2 299.415 -0.738 20 0 CBADLP C[C@H](O)CCC[NH+]1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001407466261 903612932 /nfs/dbraw/zinc/61/29/32/903612932.db2.gz GWXNQIYIPXJEHP-STQMWFEESA-N 2 2 299.415 -0.738 20 0 CBADLP C[N@H+](CC(=O)NC[C@H]1C[NH+](CCO)CCO1)C1CCC1 ZINC001407488649 903618640 /nfs/dbraw/zinc/61/86/40/903618640.db2.gz KAABHHGHZGGNPN-ZDUSSCGKSA-N 2 2 285.388 -0.720 20 0 CBADLP C[N@@H+](CC(=O)NC[C@H]1C[NH+](CCO)CCO1)C1CCC1 ZINC001407488649 903618647 /nfs/dbraw/zinc/61/86/47/903618647.db2.gz KAABHHGHZGGNPN-ZDUSSCGKSA-N 2 2 285.388 -0.720 20 0 CBADLP C[NH+](CC(=O)NC[C@H]1C[N@@H+](CCO)CCO1)C1CCC1 ZINC001407488649 903618665 /nfs/dbraw/zinc/61/86/65/903618665.db2.gz KAABHHGHZGGNPN-ZDUSSCGKSA-N 2 2 285.388 -0.720 20 0 CBADLP C[C@H]1CC[C@H](C[NH+]2CC(O)(CNC(=O)CC[NH+](C)C)C2)O1 ZINC001407507969 903622590 /nfs/dbraw/zinc/62/25/90/903622590.db2.gz RRQLYGYMINFSCX-QWHCGFSZSA-N 2 2 299.415 -0.332 20 0 CBADLP COCC[N@@H+]1CCC[C@@](CO)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001407626843 903637883 /nfs/dbraw/zinc/63/78/83/903637883.db2.gz FUGKQEOOWIDTSS-CQSZACIVSA-N 2 2 296.371 -0.527 20 0 CBADLP COCC[N@H+]1CCC[C@@](CO)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001407626843 903637896 /nfs/dbraw/zinc/63/78/96/903637896.db2.gz FUGKQEOOWIDTSS-CQSZACIVSA-N 2 2 296.371 -0.527 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@@H](O)C(C)(C)O)CC1 ZINC001459794476 914743864 /nfs/dbraw/zinc/74/38/64/914743864.db2.gz BEGUVHDHKIJSJG-QWHCGFSZSA-N 2 2 299.415 -0.643 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@@H](O)C(C)(C)O)CC1 ZINC001459794476 914743885 /nfs/dbraw/zinc/74/38/85/914743885.db2.gz BEGUVHDHKIJSJG-QWHCGFSZSA-N 2 2 299.415 -0.643 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001408304637 903747645 /nfs/dbraw/zinc/74/76/45/903747645.db2.gz LVSVKHCAGROACF-LBPRGKRZSA-N 2 2 293.371 -0.400 20 0 CBADLP CC(=O)N1CC[NH+](CCN(C)C(=O)CC[NH+](C)C)CC1 ZINC001408980748 903824811 /nfs/dbraw/zinc/82/48/11/903824811.db2.gz PDHPVKQAHPDMRY-UHFFFAOYSA-N 2 2 284.404 -0.439 20 0 CBADLP CC[C@H](C(N)=O)[N@H+](C)[C@@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001409648548 903947191 /nfs/dbraw/zinc/94/71/91/903947191.db2.gz QMQRUIHAUKHPQJ-CMPLNLGQSA-N 2 2 295.387 -0.337 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+](C)[C@@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001409648548 903947201 /nfs/dbraw/zinc/94/72/01/903947201.db2.gz QMQRUIHAUKHPQJ-CMPLNLGQSA-N 2 2 295.387 -0.337 20 0 CBADLP CCNC(=O)C[N@H+](C)[C@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001409686715 903959114 /nfs/dbraw/zinc/95/91/14/903959114.db2.gz RBCVWYLIKCKXTD-LLVKDONJSA-N 2 2 295.387 -0.236 20 0 CBADLP CCNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001409686715 903959129 /nfs/dbraw/zinc/95/91/29/903959129.db2.gz RBCVWYLIKCKXTD-LLVKDONJSA-N 2 2 295.387 -0.236 20 0 CBADLP C[C@@H]1[C@H](C(=O)NC2(CCO)C[NH+](CCCO)C2)CC[N@@H+]1C ZINC001409702666 903963332 /nfs/dbraw/zinc/96/33/32/903963332.db2.gz SBKAGMLNWMAXNN-CHWSQXEVSA-N 2 2 299.415 -0.738 20 0 CBADLP C[C@@H]1[C@H](C(=O)NC2(CCO)C[NH+](CCCO)C2)CC[N@H+]1C ZINC001409702666 903963343 /nfs/dbraw/zinc/96/33/43/903963343.db2.gz SBKAGMLNWMAXNN-CHWSQXEVSA-N 2 2 299.415 -0.738 20 0 CBADLP C[C@H](CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1)[NH2+]CC(N)=O ZINC001410445082 904102752 /nfs/dbraw/zinc/10/27/52/904102752.db2.gz FQLXUPPTEDUKSZ-GHMZBOCLSA-N 2 2 281.360 -0.244 20 0 CBADLP C[C@H](CN(C)C(=O)CCCn1cc[nH+]c1)[NH2+][C@@H](C)C(N)=O ZINC001410515475 904110180 /nfs/dbraw/zinc/11/01/80/904110180.db2.gz COJXKQFADIARDA-NEPJUHHUSA-N 2 2 295.387 -0.026 20 0 CBADLP C[C@@H]([NH2+][C@@H](C)CN(C)C(=O)Cn1cc[nH+]c1)C(=O)N(C)C ZINC001410526979 904113194 /nfs/dbraw/zinc/11/31/94/904113194.db2.gz HQWBLCHCFBEVCA-NWDGAFQWSA-N 2 2 295.387 -0.204 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H](CO)[NH2+]C[C@H]1CCOC1 ZINC001410725925 904173043 /nfs/dbraw/zinc/17/30/43/904173043.db2.gz NZEBDNUQSKSBKL-ZYHUDNBSSA-N 2 2 282.344 -0.945 20 0 CBADLP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H](CO)[NH2+]Cc2ccon2)C1 ZINC001410755570 904178190 /nfs/dbraw/zinc/17/81/90/904178190.db2.gz PPQCSXKNHYGBDR-WCQYABFASA-N 2 2 296.371 -0.417 20 0 CBADLP C[N@H+]1CC[C@@H](CC(=O)NC[C@H](CO)[NH2+]Cc2ccon2)C1 ZINC001410755570 904178199 /nfs/dbraw/zinc/17/81/99/904178199.db2.gz PPQCSXKNHYGBDR-WCQYABFASA-N 2 2 296.371 -0.417 20 0 CBADLP CNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001410893399 904203426 /nfs/dbraw/zinc/20/34/26/904203426.db2.gz VGAMAFXIAZQLPY-KOLCDFICSA-N 2 2 293.371 -0.414 20 0 CBADLP NC(=O)C[NH2+]C[C@@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001410928923 904208786 /nfs/dbraw/zinc/20/87/86/904208786.db2.gz AOGILTOTRCBZBP-ZJUUUORDSA-N 2 2 279.344 -0.688 20 0 CBADLP NC(=O)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001410948278 904211839 /nfs/dbraw/zinc/21/18/39/904211839.db2.gz UETWDEYQDNFEKK-NXEZZACHSA-N 2 2 279.344 -0.688 20 0 CBADLP CO[C@@H](C)C[N@H+](C)C[C@@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001411178288 904258034 /nfs/dbraw/zinc/25/80/34/904258034.db2.gz GIJMOGQSYSKELK-NWDGAFQWSA-N 2 2 298.387 -0.262 20 0 CBADLP CO[C@@H](C)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001411178288 904258044 /nfs/dbraw/zinc/25/80/44/904258044.db2.gz GIJMOGQSYSKELK-NWDGAFQWSA-N 2 2 298.387 -0.262 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N(CC[N@H+](C)CC(N)=O)C(C)C ZINC001411199977 904261494 /nfs/dbraw/zinc/26/14/94/904261494.db2.gz UUTMWNPVVSPWRP-UHFFFAOYSA-N 2 2 295.387 -0.154 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N(CC[N@@H+](C)CC(N)=O)C(C)C ZINC001411199977 904261510 /nfs/dbraw/zinc/26/15/10/904261510.db2.gz UUTMWNPVVSPWRP-UHFFFAOYSA-N 2 2 295.387 -0.154 20 0 CBADLP CC(C)(O)[C@@H](O)C[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC001412958805 904824666 /nfs/dbraw/zinc/82/46/66/904824666.db2.gz JOCNKFBJPFCZOD-OLZOCXBDSA-N 2 2 299.415 -0.468 20 0 CBADLP CC(C)(O)[C@@H](O)C[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC001412958805 904824691 /nfs/dbraw/zinc/82/46/91/904824691.db2.gz JOCNKFBJPFCZOD-OLZOCXBDSA-N 2 2 299.415 -0.468 20 0 CBADLP Cn1ccnc1C[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC001461164848 914853218 /nfs/dbraw/zinc/85/32/18/914853218.db2.gz LKDBSTIMRDHDDJ-UHFFFAOYSA-N 2 2 265.361 -0.326 20 0 CBADLP C[C@H](CNS(=O)(=O)N1CC[NH+](C)CC1)[NH+]1CCCC1 ZINC001413275874 904989133 /nfs/dbraw/zinc/98/91/33/904989133.db2.gz IPYCSLMFBQOKQZ-GFCCVEGCSA-N 2 2 290.433 -0.448 20 0 CBADLP COC(=O)[C@@H]1CN(CCC[NH+]2CCOCC2)CC[N@H+](C)C1 ZINC001413999214 905307919 /nfs/dbraw/zinc/30/79/19/905307919.db2.gz KPJFRCJITWHJCP-AWEZNQCLSA-N 2 2 299.415 -0.255 20 0 CBADLP COC(=O)[C@@H]1CN(CCC[NH+]2CCOCC2)CC[N@@H+](C)C1 ZINC001413999214 905307936 /nfs/dbraw/zinc/30/79/36/905307936.db2.gz KPJFRCJITWHJCP-AWEZNQCLSA-N 2 2 299.415 -0.255 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH2+]C1(CC(=O)OC)CC1 ZINC001414009790 905319577 /nfs/dbraw/zinc/31/95/77/905319577.db2.gz GNUFBGGTJVRDKG-NSHDSACASA-N 2 2 274.361 -0.389 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH2+]C1(CC(=O)OC)CC1 ZINC001414009790 905319584 /nfs/dbraw/zinc/31/95/84/905319584.db2.gz GNUFBGGTJVRDKG-NSHDSACASA-N 2 2 274.361 -0.389 20 0 CBADLP Cn1c[nH+]cc1CCC[N@@H+]1CCN2CCOC[C@@]2(CO)C1 ZINC001414033677 905330273 /nfs/dbraw/zinc/33/02/73/905330273.db2.gz JKBQPUDOBPCXER-HNNXBMFYSA-N 2 2 294.399 -0.268 20 0 CBADLP Cn1c[nH+]cc1CCC[N@H+]1CCN2CCOC[C@@]2(CO)C1 ZINC001414033677 905330288 /nfs/dbraw/zinc/33/02/88/905330288.db2.gz JKBQPUDOBPCXER-HNNXBMFYSA-N 2 2 294.399 -0.268 20 0 CBADLP C[NH+](C)CCCC(=O)N1CC(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001416056070 905702001 /nfs/dbraw/zinc/70/20/01/905702001.db2.gz RUAAQFLAKGMNHQ-UHFFFAOYSA-N 2 2 293.371 -0.379 20 0 CBADLP CN(C[C@@H]1CC[N@@H+]1CCO)C(=O)CC[NH+]1CCOCC1 ZINC001417741096 906039114 /nfs/dbraw/zinc/03/91/14/906039114.db2.gz BKBPBVGUYNHNOV-ZDUSSCGKSA-N 2 2 285.388 -0.766 20 0 CBADLP CN(C[C@@H]1CC[N@H+]1CCO)C(=O)CC[NH+]1CCOCC1 ZINC001417741096 906039128 /nfs/dbraw/zinc/03/91/28/906039128.db2.gz BKBPBVGUYNHNOV-ZDUSSCGKSA-N 2 2 285.388 -0.766 20 0 CBADLP CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001417913416 906100311 /nfs/dbraw/zinc/10/03/11/906100311.db2.gz KRGJSXSIODHZLR-GFCCVEGCSA-N 2 2 284.404 -0.345 20 0 CBADLP CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001417913416 906100318 /nfs/dbraw/zinc/10/03/18/906100318.db2.gz KRGJSXSIODHZLR-GFCCVEGCSA-N 2 2 284.404 -0.345 20 0 CBADLP C[NH+](C)C1(C(=O)N[C@H]2CC[N@@H+]([C@@H]3CCNC3=O)C2)CCC1 ZINC001417936019 906117612 /nfs/dbraw/zinc/11/76/12/906117612.db2.gz UOMVIEYPGJOQNY-NWDGAFQWSA-N 2 2 294.399 -0.450 20 0 CBADLP C[NH+](C)C1(C(=O)N[C@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)CCC1 ZINC001417936019 906117616 /nfs/dbraw/zinc/11/76/16/906117616.db2.gz UOMVIEYPGJOQNY-NWDGAFQWSA-N 2 2 294.399 -0.450 20 0 CBADLP COC[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001418065138 906153728 /nfs/dbraw/zinc/15/37/28/906153728.db2.gz SNPAVXCDRLBHFW-AVGNSLFASA-N 2 2 296.371 -0.483 20 0 CBADLP C[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001418065948 906156087 /nfs/dbraw/zinc/15/60/87/906156087.db2.gz DTTUVYGZYCOBHK-IJLUTSLNSA-N 2 2 280.372 -0.030 20 0 CBADLP COC[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001418078262 906159678 /nfs/dbraw/zinc/15/96/78/906159678.db2.gz NSXYRYDHOOHSSO-SRVKXCTJSA-N 2 2 282.344 -0.873 20 0 CBADLP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C1)C(=O)N(C)C ZINC001418110413 906172639 /nfs/dbraw/zinc/17/26/39/906172639.db2.gz CRGSARIERVUEBY-UTUOFQBUSA-N 2 2 293.371 -0.403 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001418142986 906180730 /nfs/dbraw/zinc/18/07/30/906180730.db2.gz HUXXECFGWAXENT-NSHDSACASA-N 2 2 293.371 -0.474 20 0 CBADLP C[C@@H](CNC(=O)c1cccc2[nH+]ccn21)[NH2+][C@@H](C)C(N)=O ZINC001418249154 906237062 /nfs/dbraw/zinc/23/70/62/906237062.db2.gz PFGRERYKTGHADA-UWVGGRQHSA-N 2 2 289.339 -0.084 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](C)[NH2+]Cc2cnon2)C1 ZINC001418316717 906279906 /nfs/dbraw/zinc/27/99/06/906279906.db2.gz XDSCOXFSLSDZMV-CMPLNLGQSA-N 2 2 297.359 -0.615 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](C)[NH2+]Cc2cnon2)C1 ZINC001418316717 906279921 /nfs/dbraw/zinc/27/99/21/906279921.db2.gz XDSCOXFSLSDZMV-CMPLNLGQSA-N 2 2 297.359 -0.615 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](C)[NH2+]Cc2cnon2)C1 ZINC001418316721 906280778 /nfs/dbraw/zinc/28/07/78/906280778.db2.gz XDSCOXFSLSDZMV-PWSUYJOCSA-N 2 2 297.359 -0.615 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](C)[NH2+]Cc2cnon2)C1 ZINC001418316721 906280791 /nfs/dbraw/zinc/28/07/91/906280791.db2.gz XDSCOXFSLSDZMV-PWSUYJOCSA-N 2 2 297.359 -0.615 20 0 CBADLP CC[C@H]([NH2+][C@H](C)CCNC(=O)Cc1c[nH]c[nH+]1)C(N)=O ZINC001418420802 906317214 /nfs/dbraw/zinc/31/72/14/906317214.db2.gz RSVJZTOUHQFTDK-KOLCDFICSA-N 2 2 281.360 -0.300 20 0 CBADLP C[C@H](CCNC(=O)Cc1[nH]cc[nH+]1)[NH2+]Cc1cn(C)nn1 ZINC001418426718 906321126 /nfs/dbraw/zinc/32/11/26/906321126.db2.gz AMXRNYBWTOBMMA-SNVBAGLBSA-N 2 2 291.359 -0.235 20 0 CBADLP CCN(C)C(=O)C[N@H+](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001418492278 906363532 /nfs/dbraw/zinc/36/35/32/906363532.db2.gz BWHYEQLZBAFAOL-UHFFFAOYSA-N 2 2 298.431 -0.146 20 0 CBADLP CCN(C)C(=O)C[N@@H+](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001418492278 906363544 /nfs/dbraw/zinc/36/35/44/906363544.db2.gz BWHYEQLZBAFAOL-UHFFFAOYSA-N 2 2 298.431 -0.146 20 0 CBADLP CN1CCC[C@@H]([N@H+](C)CCNC(=O)Cn2cc[nH+]c2)C1=O ZINC001418528032 906387195 /nfs/dbraw/zinc/38/71/95/906387195.db2.gz RZRCHLDOACGQMM-GFCCVEGCSA-N 2 2 293.371 -0.448 20 0 CBADLP CN1CCC[C@@H]([N@@H+](C)CCNC(=O)Cn2cc[nH+]c2)C1=O ZINC001418528032 906387209 /nfs/dbraw/zinc/38/72/09/906387209.db2.gz RZRCHLDOACGQMM-GFCCVEGCSA-N 2 2 293.371 -0.448 20 0 CBADLP CC(C)NC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)CC[NH+](C)C ZINC001418597551 906420095 /nfs/dbraw/zinc/42/00/95/906420095.db2.gz KJHPTQWJDHIDNB-ZDUSSCGKSA-N 2 2 298.431 -0.005 20 0 CBADLP CC(C)NC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)CC[NH+](C)C ZINC001418597551 906420102 /nfs/dbraw/zinc/42/01/02/906420102.db2.gz KJHPTQWJDHIDNB-ZDUSSCGKSA-N 2 2 298.431 -0.005 20 0 CBADLP CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001418595062 906421069 /nfs/dbraw/zinc/42/10/69/906421069.db2.gz PMFRLKYNFQNQQF-OLZOCXBDSA-N 2 2 296.415 -0.203 20 0 CBADLP CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001418595062 906421074 /nfs/dbraw/zinc/42/10/74/906421074.db2.gz PMFRLKYNFQNQQF-OLZOCXBDSA-N 2 2 296.415 -0.203 20 0 CBADLP CCNC(=O)C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001418595062 906421078 /nfs/dbraw/zinc/42/10/78/906421078.db2.gz PMFRLKYNFQNQQF-OLZOCXBDSA-N 2 2 296.415 -0.203 20 0 CBADLP CCNC(=O)C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001418595062 906421082 /nfs/dbraw/zinc/42/10/82/906421082.db2.gz PMFRLKYNFQNQQF-OLZOCXBDSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001418635283 906431431 /nfs/dbraw/zinc/43/14/31/906431431.db2.gz AKSHOMRFOOTAKH-RYUDHWBXSA-N 2 2 293.371 -0.402 20 0 CBADLP CNC(=O)[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001418635283 906431439 /nfs/dbraw/zinc/43/14/39/906431439.db2.gz AKSHOMRFOOTAKH-RYUDHWBXSA-N 2 2 293.371 -0.402 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001418664894 906441446 /nfs/dbraw/zinc/44/14/46/906441446.db2.gz GOWIBXBVXFEOEP-GRYCIOLGSA-N 2 2 291.355 -0.744 20 0 CBADLP C[C@@H](CC(=O)NC[C@H]1CC[N@H+](CC(N)=O)C1)n1cc[nH+]c1 ZINC001418681620 906446656 /nfs/dbraw/zinc/44/66/56/906446656.db2.gz GSUOIASSRAQEPB-NWDGAFQWSA-N 2 2 293.371 -0.242 20 0 CBADLP C[C@@H](CC(=O)NC[C@H]1CC[N@@H+](CC(N)=O)C1)n1cc[nH+]c1 ZINC001418681620 906446661 /nfs/dbraw/zinc/44/66/61/906446661.db2.gz GSUOIASSRAQEPB-NWDGAFQWSA-N 2 2 293.371 -0.242 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)CCc1c[nH+]cn1C ZINC001418841369 906493699 /nfs/dbraw/zinc/49/36/99/906493699.db2.gz SSDSEUOLWGUDGR-NSHDSACASA-N 2 2 295.387 -0.465 20 0 CBADLP C[C@H]([NH2+]CCN(C)C(=O)CCc1[nH+]ccn1C)C(N)=O ZINC001418833889 906495340 /nfs/dbraw/zinc/49/53/40/906495340.db2.gz YHHMDBWWFOIZDO-JTQLQIEISA-N 2 2 281.360 -0.726 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CC[C@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001418904627 906507470 /nfs/dbraw/zinc/50/74/70/906507470.db2.gz GRXBIFHKOKPVFV-MNOVXSKESA-N 2 2 293.371 -0.346 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CC[C@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001418904627 906507489 /nfs/dbraw/zinc/50/74/89/906507489.db2.gz GRXBIFHKOKPVFV-MNOVXSKESA-N 2 2 293.371 -0.346 20 0 CBADLP C[C@H](C(N)=O)[N@H+](C)C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001418941335 906524663 /nfs/dbraw/zinc/52/46/63/906524663.db2.gz HNFRMTSQAVPQGL-MNOVXSKESA-N 2 2 293.371 -0.394 20 0 CBADLP C[C@H](C(N)=O)[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001418941335 906524678 /nfs/dbraw/zinc/52/46/78/906524678.db2.gz HNFRMTSQAVPQGL-MNOVXSKESA-N 2 2 293.371 -0.394 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CC(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001419020620 906565739 /nfs/dbraw/zinc/56/57/39/906565739.db2.gz FDMTZKVLTAVCMQ-SNVBAGLBSA-N 2 2 282.388 -0.608 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CC(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001419020620 906565746 /nfs/dbraw/zinc/56/57/46/906565746.db2.gz FDMTZKVLTAVCMQ-SNVBAGLBSA-N 2 2 282.388 -0.608 20 0 CBADLP CC[C@H](C(=O)NCC1C[NH+](CC(=O)NC2CC2)C1)[NH+](C)C ZINC001419034222 906571208 /nfs/dbraw/zinc/57/12/08/906571208.db2.gz BHDZXGMNOSRYJT-CYBMUJFWSA-N 2 2 296.415 -0.347 20 0 CBADLP CNC(=O)C[NH2+]C[C@@](C)(NC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001419344607 906665869 /nfs/dbraw/zinc/66/58/69/906665869.db2.gz NDPHUNJOIVNVRW-CQSZACIVSA-N 2 2 293.371 -0.427 20 0 CBADLP NC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001419563340 906728197 /nfs/dbraw/zinc/72/81/97/906728197.db2.gz XWOWFNHJLYEQBD-NSHDSACASA-N 2 2 279.344 -0.803 20 0 CBADLP NC(=O)C[N@H+]1CCC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001419563340 906728211 /nfs/dbraw/zinc/72/82/11/906728211.db2.gz XWOWFNHJLYEQBD-NSHDSACASA-N 2 2 279.344 -0.803 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NCC1([NH2+]CC(N)=O)CCCC1 ZINC001419619331 906741032 /nfs/dbraw/zinc/74/10/32/906741032.db2.gz GAYUIOGURPFGEQ-UHFFFAOYSA-N 2 2 293.371 -0.534 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CCCC[NH+]1CC(N)=O ZINC001419617254 906742208 /nfs/dbraw/zinc/74/22/08/906742208.db2.gz LJZIJVSYHMXIPK-LBPRGKRZSA-N 2 2 284.404 -0.217 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CCCC[NH+]1CC(N)=O ZINC001419617254 906742223 /nfs/dbraw/zinc/74/22/23/906742223.db2.gz LJZIJVSYHMXIPK-LBPRGKRZSA-N 2 2 284.404 -0.217 20 0 CBADLP CC(C)[NH+](C)CC(=O)NC[C@@H]1CCCC[N@@H+]1CC(N)=O ZINC001419617254 906742237 /nfs/dbraw/zinc/74/22/37/906742237.db2.gz LJZIJVSYHMXIPK-LBPRGKRZSA-N 2 2 284.404 -0.217 20 0 CBADLP CC(C)[NH+](C)CC(=O)NC[C@@H]1CCCC[N@H+]1CC(N)=O ZINC001419617254 906742252 /nfs/dbraw/zinc/74/22/52/906742252.db2.gz LJZIJVSYHMXIPK-LBPRGKRZSA-N 2 2 284.404 -0.217 20 0 CBADLP NC(=O)C[NH2+]C1CCC(NC(=O)CCn2cc[nH+]c2)CC1 ZINC001419676938 906766722 /nfs/dbraw/zinc/76/67/22/906766722.db2.gz RTZMCORSQXGLBP-UHFFFAOYSA-N 2 2 293.371 -0.225 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)CCn1cc[nH+]c1 ZINC001419693982 906770228 /nfs/dbraw/zinc/77/02/28/906770228.db2.gz BVHDNUWCVBWZMM-VXGBXAGGSA-N 2 2 295.387 -0.156 20 0 CBADLP C[C@H](C[NH2+]CC(N)=O)N(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001419699702 906770712 /nfs/dbraw/zinc/77/07/12/906770712.db2.gz ZAXXJPFEKGHLHS-GHMZBOCLSA-N 2 2 293.371 -0.633 20 0 CBADLP CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001419758072 906806852 /nfs/dbraw/zinc/80/68/52/906806852.db2.gz NBOBMPCHWMIPLT-HBNTYKKESA-N 2 2 293.371 -0.256 20 0 CBADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@H](C)C(=O)NC1CC1 ZINC001419857658 906835799 /nfs/dbraw/zinc/83/57/99/906835799.db2.gz GPBCPWCOQBFWHY-NXEZZACHSA-N 2 2 293.371 -0.286 20 0 CBADLP Cc1nnc(C[NH2+][C@H](C)CNC(=O)[C@H]2CC[N@H+](C)C2)o1 ZINC001419915207 906853466 /nfs/dbraw/zinc/85/34/66/906853466.db2.gz AAVHLRRTDOFDOR-KOLCDFICSA-N 2 2 281.360 -0.076 20 0 CBADLP Cc1nnc(C[NH2+][C@H](C)CNC(=O)[C@H]2CC[N@@H+](C)C2)o1 ZINC001419915207 906853479 /nfs/dbraw/zinc/85/34/79/906853479.db2.gz AAVHLRRTDOFDOR-KOLCDFICSA-N 2 2 281.360 -0.076 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@@H](CNC(=O)Cn1cc[nH+]c1)C(C)C ZINC001419944958 906867717 /nfs/dbraw/zinc/86/77/17/906867717.db2.gz VRAPYSZEUXSJBY-NEPJUHHUSA-N 2 2 295.387 -0.252 20 0 CBADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CCc1cnn(C)c1 ZINC001419951411 906869920 /nfs/dbraw/zinc/86/99/20/906869920.db2.gz BPLLKACWNGBHCQ-LBPRGKRZSA-N 2 2 290.371 -0.046 20 0 CBADLP CN(C)C(=O)C[N@H+](C)CCN(C)C(=O)C[NH+](C)C1CCC1 ZINC001419968419 906880605 /nfs/dbraw/zinc/88/06/05/906880605.db2.gz WXRGACSMLUGBBU-UHFFFAOYSA-N 2 2 298.431 -0.051 20 0 CBADLP CN(C)C(=O)C[N@@H+](C)CCN(C)C(=O)C[NH+](C)C1CCC1 ZINC001419968419 906880621 /nfs/dbraw/zinc/88/06/21/906880621.db2.gz WXRGACSMLUGBBU-UHFFFAOYSA-N 2 2 298.431 -0.051 20 0 CBADLP CN(C)C(=O)C[NH+](C)CCN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001419968419 906880636 /nfs/dbraw/zinc/88/06/36/906880636.db2.gz WXRGACSMLUGBBU-UHFFFAOYSA-N 2 2 298.431 -0.051 20 0 CBADLP CN(C)C(=O)C[NH+](C)CCN(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001419968419 906880641 /nfs/dbraw/zinc/88/06/41/906880641.db2.gz WXRGACSMLUGBBU-UHFFFAOYSA-N 2 2 298.431 -0.051 20 0 CBADLP C[C@@H](CCNC(=O)c1cccc2[nH+]ccn21)[NH2+]CC(N)=O ZINC001420091579 906931377 /nfs/dbraw/zinc/93/13/77/906931377.db2.gz HMRSLRIXVACIHA-JTQLQIEISA-N 2 2 289.339 -0.082 20 0 CBADLP CNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001420149272 906968115 /nfs/dbraw/zinc/96/81/15/906968115.db2.gz SIQHFWUACZIVKX-GHMZBOCLSA-N 2 2 295.387 -0.181 20 0 CBADLP CNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001420149272 906968125 /nfs/dbraw/zinc/96/81/25/906968125.db2.gz SIQHFWUACZIVKX-GHMZBOCLSA-N 2 2 295.387 -0.181 20 0 CBADLP O=C(NC[C@@H](O)C[NH2+]CC1CC1)[C@H]1CCc2[nH+]ccn2C1 ZINC001420143821 906968714 /nfs/dbraw/zinc/96/87/14/906968714.db2.gz KLUORLNRKBOJNK-STQMWFEESA-N 2 2 292.383 -0.078 20 0 CBADLP C[C@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+][C@@H](C)C(=O)N(C)C ZINC001420171315 906985962 /nfs/dbraw/zinc/98/59/62/906985962.db2.gz PZPGVAYLTIWTSQ-NEPJUHHUSA-N 2 2 295.387 -0.156 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@H](O)C[NH2+]CC1CCOCC1 ZINC001420202596 907015054 /nfs/dbraw/zinc/01/50/54/907015054.db2.gz GDTICLCKUQJPTI-CYBMUJFWSA-N 2 2 296.371 -0.624 20 0 CBADLP C[C@@H](CC[NH2+][C@H]1CCNC1=O)NC(=O)Cc1c[nH]c[nH+]1 ZINC001420223125 907026606 /nfs/dbraw/zinc/02/66/06/907026606.db2.gz ICBCAEQPJACRBF-ONGXEEELSA-N 2 2 279.344 -0.675 20 0 CBADLP CCN(CC[NH2+][C@H]1CCNC1=O)C(=O)Cc1[nH]cc[nH+]1 ZINC001420233148 907032862 /nfs/dbraw/zinc/03/28/62/907032862.db2.gz HFMCYEBOYZYPDK-JTQLQIEISA-N 2 2 279.344 -0.721 20 0 CBADLP CC[C@@H](C(=O)NCC[N@H+](C)CC(=O)NC(C)C)[NH+](C)C ZINC001420298632 907084963 /nfs/dbraw/zinc/08/49/63/907084963.db2.gz MCDLOANSDZYBEU-LBPRGKRZSA-N 2 2 286.420 -0.101 20 0 CBADLP CC[C@@H](C(=O)NCC[N@@H+](C)CC(=O)NC(C)C)[NH+](C)C ZINC001420298632 907084987 /nfs/dbraw/zinc/08/49/87/907084987.db2.gz MCDLOANSDZYBEU-LBPRGKRZSA-N 2 2 286.420 -0.101 20 0 CBADLP CC1CC[NH+](CC(=O)NCC[N@H+](C)[C@@H]2CCNC2=O)CC1 ZINC001420321517 907100633 /nfs/dbraw/zinc/10/06/33/907100633.db2.gz YEIHROIGZRFNIT-CYBMUJFWSA-N 2 2 296.415 -0.345 20 0 CBADLP CC1CC[NH+](CC(=O)NCC[N@@H+](C)[C@@H]2CCNC2=O)CC1 ZINC001420321517 907100645 /nfs/dbraw/zinc/10/06/45/907100645.db2.gz YEIHROIGZRFNIT-CYBMUJFWSA-N 2 2 296.415 -0.345 20 0 CBADLP C[N@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)CC(=O)N1CCC1 ZINC001420335996 907106613 /nfs/dbraw/zinc/10/66/13/907106613.db2.gz YIFJMCUMZDWLCU-CYBMUJFWSA-N 2 2 296.415 -0.392 20 0 CBADLP C[N@@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)CC(=O)N1CCC1 ZINC001420335996 907106616 /nfs/dbraw/zinc/10/66/16/907106616.db2.gz YIFJMCUMZDWLCU-CYBMUJFWSA-N 2 2 296.415 -0.392 20 0 CBADLP C[NH+](CCNC(=O)C[C@H]1CC[N@H+](C)C1)CC(=O)N1CCC1 ZINC001420335996 907106625 /nfs/dbraw/zinc/10/66/25/907106625.db2.gz YIFJMCUMZDWLCU-CYBMUJFWSA-N 2 2 296.415 -0.392 20 0 CBADLP C[NH+](CCNC(=O)C[C@H]1CC[N@@H+](C)C1)CC(=O)N1CCC1 ZINC001420335996 907106633 /nfs/dbraw/zinc/10/66/33/907106633.db2.gz YIFJMCUMZDWLCU-CYBMUJFWSA-N 2 2 296.415 -0.392 20 0 CBADLP CNC(=O)C[N@H+](C)CCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001420335362 907110424 /nfs/dbraw/zinc/11/04/24/907110424.db2.gz UKTQTNPDVVVXRJ-QWHCGFSZSA-N 2 2 298.431 -0.099 20 0 CBADLP CNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001420335362 907110431 /nfs/dbraw/zinc/11/04/31/907110431.db2.gz UKTQTNPDVVVXRJ-QWHCGFSZSA-N 2 2 298.431 -0.099 20 0 CBADLP CCC[N@H+](C)CC(=O)NCC[NH+](C)CC(=O)N1CCCC1 ZINC001420342696 907110825 /nfs/dbraw/zinc/11/08/25/907110825.db2.gz PYADUYKVYNSIEH-UHFFFAOYSA-N 2 2 298.431 -0.001 20 0 CBADLP CCC[N@@H+](C)CC(=O)NCC[NH+](C)CC(=O)N1CCCC1 ZINC001420342696 907110833 /nfs/dbraw/zinc/11/08/33/907110833.db2.gz PYADUYKVYNSIEH-UHFFFAOYSA-N 2 2 298.431 -0.001 20 0 CBADLP CCC[NH+](C)CC(=O)NCC[N@H+](C)CC(=O)N1CCCC1 ZINC001420342696 907110840 /nfs/dbraw/zinc/11/08/40/907110840.db2.gz PYADUYKVYNSIEH-UHFFFAOYSA-N 2 2 298.431 -0.001 20 0 CBADLP CCC[NH+](C)CC(=O)NCC[N@@H+](C)CC(=O)N1CCCC1 ZINC001420342696 907110848 /nfs/dbraw/zinc/11/08/48/907110848.db2.gz PYADUYKVYNSIEH-UHFFFAOYSA-N 2 2 298.431 -0.001 20 0 CBADLP CCn1nncc1C[NH2+]C[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001420351005 907113699 /nfs/dbraw/zinc/11/36/99/907113699.db2.gz CJGWOGMPJFETDI-SNVBAGLBSA-N 2 2 291.359 -0.142 20 0 CBADLP CCCNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001420345359 907115203 /nfs/dbraw/zinc/11/52/03/907115203.db2.gz MARINDFSDIOQKE-GFCCVEGCSA-N 2 2 284.404 -0.488 20 0 CBADLP CCCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001420345359 907115212 /nfs/dbraw/zinc/11/52/12/907115212.db2.gz MARINDFSDIOQKE-GFCCVEGCSA-N 2 2 284.404 -0.488 20 0 CBADLP CCCNC(=O)C[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001420345359 907115215 /nfs/dbraw/zinc/11/52/15/907115215.db2.gz MARINDFSDIOQKE-GFCCVEGCSA-N 2 2 284.404 -0.488 20 0 CBADLP CCCNC(=O)C[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001420345359 907115223 /nfs/dbraw/zinc/11/52/23/907115223.db2.gz MARINDFSDIOQKE-GFCCVEGCSA-N 2 2 284.404 -0.488 20 0 CBADLP CCCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001420386884 907133653 /nfs/dbraw/zinc/13/36/53/907133653.db2.gz KKJCCEVKVFQRQH-VXGBXAGGSA-N 2 2 295.387 -0.108 20 0 CBADLP CCNC(=O)C[NH2+]C[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001420429727 907158399 /nfs/dbraw/zinc/15/83/99/907158399.db2.gz QOFQSAFJXYLZSY-JTQLQIEISA-N 2 2 281.360 -0.427 20 0 CBADLP CCNC(=O)C[NH2+]C[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001420429727 907158405 /nfs/dbraw/zinc/15/84/05/907158405.db2.gz QOFQSAFJXYLZSY-JTQLQIEISA-N 2 2 281.360 -0.427 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[N@H+](C)[C@H]1CCNC1=O ZINC001420603281 907229760 /nfs/dbraw/zinc/22/97/60/907229760.db2.gz CZWBUUKTRYHUKZ-JQWIXIFHSA-N 2 2 293.371 -0.483 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[N@@H+](C)[C@H]1CCNC1=O ZINC001420603281 907229775 /nfs/dbraw/zinc/22/97/75/907229775.db2.gz CZWBUUKTRYHUKZ-JQWIXIFHSA-N 2 2 293.371 -0.483 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[N@H+](C)[C@@H](C)C(N)=O ZINC001420602408 907232174 /nfs/dbraw/zinc/23/21/74/907232174.db2.gz AXRVVLNXJDBGCA-KOLCDFICSA-N 2 2 281.360 -0.498 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[N@@H+](C)[C@@H](C)C(N)=O ZINC001420602408 907232191 /nfs/dbraw/zinc/23/21/91/907232191.db2.gz AXRVVLNXJDBGCA-KOLCDFICSA-N 2 2 281.360 -0.498 20 0 CBADLP CC[C@@H]([NH2+]CCN(C)C(=O)Cc1c[nH+]cn1C)C(N)=O ZINC001420725856 907285217 /nfs/dbraw/zinc/28/52/17/907285217.db2.gz JDTNDNFUNKZBQA-LLVKDONJSA-N 2 2 281.360 -0.726 20 0 CBADLP CCNC(=O)C[NH2+]C[C@@H](NC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001420796967 907305864 /nfs/dbraw/zinc/30/58/64/907305864.db2.gz KKPKKLLFVPFITG-GFCCVEGCSA-N 2 2 293.371 -0.496 20 0 CBADLP C[C@@H]([NH2+]C1(CNC(=O)CC[NH+](C)C)CC1)c1nnnn1C ZINC001420970289 907374409 /nfs/dbraw/zinc/37/44/09/907374409.db2.gz RZNMZMIOZFLQAY-SNVBAGLBSA-N 2 2 295.391 -0.539 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]C1(CNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001420992809 907384414 /nfs/dbraw/zinc/38/44/14/907384414.db2.gz FNWIIKIAIAVXGH-JTQLQIEISA-N 2 2 293.371 -0.665 20 0 CBADLP CNC(=O)C[NH2+]C1(CNC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001421000034 907389027 /nfs/dbraw/zinc/38/90/27/907389027.db2.gz WIGFSGSXEQKECB-UHFFFAOYSA-N 2 2 279.344 -0.755 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NCC1([NH2+]CCCO)CCC1 ZINC001502017886 921320447 /nfs/dbraw/zinc/32/04/47/921320447.db2.gz ZXNHMDGOZKSMOM-UHFFFAOYSA-N 2 2 280.372 -0.027 20 0 CBADLP COC[C@H](O)C[NH+]1CC(N(C)C(=O)C[N@H+](C)C(C)C)C1 ZINC001421093966 907425818 /nfs/dbraw/zinc/42/58/18/907425818.db2.gz UCHGYOQVTJUBIW-CYBMUJFWSA-N 2 2 287.404 -0.524 20 0 CBADLP COC[C@H](O)C[NH+]1CC(N(C)C(=O)C[N@@H+](C)C(C)C)C1 ZINC001421093966 907425822 /nfs/dbraw/zinc/42/58/22/907425822.db2.gz UCHGYOQVTJUBIW-CYBMUJFWSA-N 2 2 287.404 -0.524 20 0 CBADLP CC[C@H](C(N)=O)[NH+]1CC(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001421144561 907442969 /nfs/dbraw/zinc/44/29/69/907442969.db2.gz NXQXRACFOGXOIS-GFCCVEGCSA-N 2 2 293.371 -0.497 20 0 CBADLP CC[C@@H](C(=O)NCC1C[NH+]([C@H](C)C(=O)NC)C1)[NH+](C)C ZINC001421182871 907454485 /nfs/dbraw/zinc/45/44/85/907454485.db2.gz UMGXUVFQIXZLGV-PWSUYJOCSA-N 2 2 284.404 -0.491 20 0 CBADLP CCCNC(=O)C[NH+]1CC(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001421189930 907456586 /nfs/dbraw/zinc/45/65/86/907456586.db2.gz JLBOEKZZCFSZRE-UHFFFAOYSA-N 2 2 298.431 -0.099 20 0 CBADLP CCCNC(=O)C[NH+]1CC(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001421189930 907456598 /nfs/dbraw/zinc/45/65/98/907456598.db2.gz JLBOEKZZCFSZRE-UHFFFAOYSA-N 2 2 298.431 -0.099 20 0 CBADLP COC[C@@H](O)C[N@@H+]1CC[C@](C)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001421223292 907466806 /nfs/dbraw/zinc/46/68/06/907466806.db2.gz HBVRMPSYJMYZLA-JSGCOSHPSA-N 2 2 296.371 -0.529 20 0 CBADLP COC[C@@H](O)C[N@H+]1CC[C@](C)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001421223292 907466812 /nfs/dbraw/zinc/46/68/12/907466812.db2.gz HBVRMPSYJMYZLA-JSGCOSHPSA-N 2 2 296.371 -0.529 20 0 CBADLP CC[C@@H](C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1)[NH+](C)C ZINC001421271367 907480423 /nfs/dbraw/zinc/48/04/23/907480423.db2.gz OAAXUDPXACKAHR-AXFHLTTASA-N 2 2 270.377 -0.609 20 0 CBADLP CC[C@@H](C(=O)N[C@@H]1CC[N@H+]([C@@H](C)C(N)=O)C1)[NH+](C)C ZINC001421271367 907480428 /nfs/dbraw/zinc/48/04/28/907480428.db2.gz OAAXUDPXACKAHR-AXFHLTTASA-N 2 2 270.377 -0.609 20 0 CBADLP COC[C@H](C)[NH+]1CC(O)(CNC(=O)CC[NH+](C)C)C1 ZINC001421471935 907561573 /nfs/dbraw/zinc/56/15/73/907561573.db2.gz GIIPEZXZZFAEJG-NSHDSACASA-N 2 2 273.377 -0.864 20 0 CBADLP C[C@H]([NH2+]CC(N)=O)[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001421531450 907576697 /nfs/dbraw/zinc/57/66/97/907576697.db2.gz PEFPSXDUSRKJAQ-WDEREUQCSA-N 2 2 293.371 -0.346 20 0 CBADLP C[C@H]([NH2+]CC(N)=O)[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001421531450 907576708 /nfs/dbraw/zinc/57/67/08/907576708.db2.gz PEFPSXDUSRKJAQ-WDEREUQCSA-N 2 2 293.371 -0.346 20 0 CBADLP C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C[NH2+]Cc1cnon1 ZINC001421676023 907608285 /nfs/dbraw/zinc/60/82/85/907608285.db2.gz KLQRMBLTYFFGGY-CMPLNLGQSA-N 2 2 297.359 -0.758 20 0 CBADLP C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C[NH2+]Cc1cnon1 ZINC001421676023 907608295 /nfs/dbraw/zinc/60/82/95/907608295.db2.gz KLQRMBLTYFFGGY-CMPLNLGQSA-N 2 2 297.359 -0.758 20 0 CBADLP COCC[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001421806219 907648841 /nfs/dbraw/zinc/64/88/41/907648841.db2.gz CFGIWUZTLDECGO-KBPBESRZSA-N 2 2 299.415 -0.208 20 0 CBADLP COCC[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001421806219 907648850 /nfs/dbraw/zinc/64/88/50/907648850.db2.gz CFGIWUZTLDECGO-KBPBESRZSA-N 2 2 299.415 -0.208 20 0 CBADLP COCC[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001421806219 907648858 /nfs/dbraw/zinc/64/88/58/907648858.db2.gz CFGIWUZTLDECGO-KBPBESRZSA-N 2 2 299.415 -0.208 20 0 CBADLP COCC[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001421806219 907648867 /nfs/dbraw/zinc/64/88/67/907648867.db2.gz CFGIWUZTLDECGO-KBPBESRZSA-N 2 2 299.415 -0.208 20 0 CBADLP CNC(=O)C[NH2+]C1(CNC(=O)Cc2c[nH]c[nH+]2)CCCC1 ZINC001421846171 907658036 /nfs/dbraw/zinc/65/80/36/907658036.db2.gz MCBNOPGXQWAQFK-UHFFFAOYSA-N 2 2 293.371 -0.283 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N(C)CCC[N@@H+](C)[C@H](C)C(N)=O ZINC001421897877 907673508 /nfs/dbraw/zinc/67/35/08/907673508.db2.gz UIDMFGPLYDCJAY-LLVKDONJSA-N 2 2 295.387 -0.085 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N(C)CCC[N@H+](C)[C@H](C)C(N)=O ZINC001421897877 907673516 /nfs/dbraw/zinc/67/35/16/907673516.db2.gz UIDMFGPLYDCJAY-LLVKDONJSA-N 2 2 295.387 -0.085 20 0 CBADLP C[C@H](C[NH2+][C@H](C)C(N)=O)N(C)C(=O)CCn1cc[nH+]c1 ZINC001421924138 907681440 /nfs/dbraw/zinc/68/14/40/907681440.db2.gz CQGHXVFGCHOEKX-GHMZBOCLSA-N 2 2 281.360 -0.417 20 0 CBADLP C[C@H](C[NH2+][C@H]1CCNC1=O)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001421951379 907687485 /nfs/dbraw/zinc/68/74/85/907687485.db2.gz BAXOTFQDWDMUFW-KOLCDFICSA-N 2 2 279.344 -0.723 20 0 CBADLP C[C@@H]([NH2+]C[C@@H](C)N(C)C(=O)Cc1c[nH+]cn1C)C(N)=O ZINC001421999500 907704061 /nfs/dbraw/zinc/70/40/61/907704061.db2.gz WBRXTJYAQYKQAV-NXEZZACHSA-N 2 2 281.360 -0.727 20 0 CBADLP C[C@@H](CCNC(=O)Cc1[nH]cc[nH+]1)[NH2+]Cc1cnnn1C ZINC001422168808 907731845 /nfs/dbraw/zinc/73/18/45/907731845.db2.gz NGONQTGTXPBOHK-JTQLQIEISA-N 2 2 291.359 -0.235 20 0 CBADLP CN(CC[N@H+](C)CC(N)=O)C(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001422213604 907746673 /nfs/dbraw/zinc/74/66/73/907746673.db2.gz JTZSWIWUOHMKSD-OLZOCXBDSA-N 2 2 296.415 -0.121 20 0 CBADLP CN(CC[N@@H+](C)CC(N)=O)C(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001422213604 907746684 /nfs/dbraw/zinc/74/66/84/907746684.db2.gz JTZSWIWUOHMKSD-OLZOCXBDSA-N 2 2 296.415 -0.121 20 0 CBADLP CN(CC[NH+](C)CC(N)=O)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001422213604 907746692 /nfs/dbraw/zinc/74/66/92/907746692.db2.gz JTZSWIWUOHMKSD-OLZOCXBDSA-N 2 2 296.415 -0.121 20 0 CBADLP CN(CC[NH+](C)CC(N)=O)C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001422213604 907746699 /nfs/dbraw/zinc/74/66/99/907746699.db2.gz JTZSWIWUOHMKSD-OLZOCXBDSA-N 2 2 296.415 -0.121 20 0 CBADLP CNC(=O)C[NH2+]CC1CC(NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001422298930 907790651 /nfs/dbraw/zinc/79/06/51/907790651.db2.gz ZTOYVAVGCVQRPJ-UHFFFAOYSA-N 2 2 293.371 -0.509 20 0 CBADLP C[C@@H]([NH2+]CC(=O)N(C)C)[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001422364358 907823871 /nfs/dbraw/zinc/82/38/71/907823871.db2.gz HWALDBLIRAHNSK-NEPJUHHUSA-N 2 2 295.387 -0.156 20 0 CBADLP COC[C@H](C)[NH2+]C[C@@H](O)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001422385371 907835518 /nfs/dbraw/zinc/83/55/18/907835518.db2.gz AAOZIKAYPBHZNH-GXSJLCMTSA-N 2 2 284.360 -0.638 20 0 CBADLP C[C@H](CC[NH2+][C@@H](C)C(N)=O)NC(=O)Cc1c[nH+]cn1C ZINC001422438069 907857787 /nfs/dbraw/zinc/85/77/87/907857787.db2.gz KWEHLLNLUWKNPC-ZJUUUORDSA-N 2 2 281.360 -0.679 20 0 CBADLP CCN(CC[NH2+][C@@H](C)C(=O)NC)C(=O)Cn1cc[nH+]c1 ZINC001422454468 907869830 /nfs/dbraw/zinc/86/98/30/907869830.db2.gz VVFBRLKJHBMJRV-NSHDSACASA-N 2 2 281.360 -0.544 20 0 CBADLP C[C@H](C[NH2+]Cc1cncn1C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001422473619 907882486 /nfs/dbraw/zinc/88/24/86/907882486.db2.gz BOYLDNVKFSASMO-YPMHNXCESA-N 2 2 295.387 -0.655 20 0 CBADLP C[C@H](C[NH2+]Cc1cncn1C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001422473619 907882500 /nfs/dbraw/zinc/88/25/00/907882500.db2.gz BOYLDNVKFSASMO-YPMHNXCESA-N 2 2 295.387 -0.655 20 0 CBADLP C[NH+](C)CCCCC(=O)N[C@@H]1COC2(C[NH+](CCO)C2)C1 ZINC001502470622 921360377 /nfs/dbraw/zinc/36/03/77/921360377.db2.gz NRDLLWLIWCCBNW-ZDUSSCGKSA-N 2 2 299.415 -0.330 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+](C)[C@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001422542076 907916095 /nfs/dbraw/zinc/91/60/95/907916095.db2.gz VWFBJQYVZHSYPW-VXGBXAGGSA-N 2 2 295.387 -0.156 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001422542076 907916114 /nfs/dbraw/zinc/91/61/14/907916114.db2.gz VWFBJQYVZHSYPW-VXGBXAGGSA-N 2 2 295.387 -0.156 20 0 CBADLP CNC(=O)C[N@H+](C)[C@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001422568448 907927251 /nfs/dbraw/zinc/92/72/51/907927251.db2.gz GCHHNEQATYWDNT-CYBMUJFWSA-N 2 2 298.431 -0.099 20 0 CBADLP CNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001422568448 907927264 /nfs/dbraw/zinc/92/72/64/907927264.db2.gz GCHHNEQATYWDNT-CYBMUJFWSA-N 2 2 298.431 -0.099 20 0 CBADLP CCC[N@H+](C)CC(=O)N[C@H](C)C1C[NH+](CC(N)=O)C1 ZINC001422752458 907995739 /nfs/dbraw/zinc/99/57/39/907995739.db2.gz DVRTZVMWLRRPIA-SNVBAGLBSA-N 2 2 270.377 -0.750 20 0 CBADLP CCC[N@@H+](C)CC(=O)N[C@H](C)C1C[NH+](CC(N)=O)C1 ZINC001422752458 907995751 /nfs/dbraw/zinc/99/57/51/907995751.db2.gz DVRTZVMWLRRPIA-SNVBAGLBSA-N 2 2 270.377 -0.750 20 0 CBADLP C[C@H](O)C[NH2+][C@]1(CO)CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001502591615 921371040 /nfs/dbraw/zinc/37/10/40/921371040.db2.gz CLNWNMKOWBCOKY-SMDDNHRTSA-N 2 2 296.371 -0.724 20 0 CBADLP C[C@@H]([NH2+]CCO)[C@H]1CN(C(=O)CCn2cc[nH+]c2)CCO1 ZINC001422848169 908034023 /nfs/dbraw/zinc/03/40/23/908034023.db2.gz CWCSDIIPAZDPCC-CHWSQXEVSA-N 2 2 296.371 -0.529 20 0 CBADLP NC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001422922046 908055927 /nfs/dbraw/zinc/05/59/27/908055927.db2.gz YFHFFSXTKAKIFX-HAQNSBGRSA-N 2 2 293.371 -0.367 20 0 CBADLP CN(C(=O)CCc1c[nH]c[nH+]1)[C@@H](C[NH2+]CC(N)=O)C1CC1 ZINC001422989615 908071428 /nfs/dbraw/zinc/07/14/28/908071428.db2.gz POXKPRCLXLLLFB-LBPRGKRZSA-N 2 2 293.371 -0.346 20 0 CBADLP CN(C(=O)CCc1c[nH+]c[nH]1)[C@@H](C[NH2+]CC(N)=O)C1CC1 ZINC001422989615 908071443 /nfs/dbraw/zinc/07/14/43/908071443.db2.gz POXKPRCLXLLLFB-LBPRGKRZSA-N 2 2 293.371 -0.346 20 0 CBADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001422981034 908071724 /nfs/dbraw/zinc/07/17/24/908071724.db2.gz COCGZLBWRJVWJD-LLVKDONJSA-N 2 2 279.344 -0.736 20 0 CBADLP CNC(=O)C[NH2+]C[C@H](NC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001423020841 908078799 /nfs/dbraw/zinc/07/87/99/908078799.db2.gz DYYPLKIRDIKYQO-NSHDSACASA-N 2 2 279.344 -0.817 20 0 CBADLP C[C@@H](CN(C)C(=O)CCn1cc[nH+]c1)[NH2+][C@@H](C)C(N)=O ZINC001423098384 908106496 /nfs/dbraw/zinc/10/64/96/908106496.db2.gz LEQJGEQNIIWZCQ-QWRGUYRKSA-N 2 2 281.360 -0.417 20 0 CBADLP COC[C@H](O)C[N@@H+]1CC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001423162867 908122089 /nfs/dbraw/zinc/12/20/89/908122089.db2.gz AEKIFWSQIWJCJZ-NWDGAFQWSA-N 2 2 282.344 -0.919 20 0 CBADLP COC[C@H](O)C[N@H+]1CC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001423162867 908122093 /nfs/dbraw/zinc/12/20/93/908122093.db2.gz AEKIFWSQIWJCJZ-NWDGAFQWSA-N 2 2 282.344 -0.919 20 0 CBADLP Cc1conc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001423189912 908141849 /nfs/dbraw/zinc/14/18/49/908141849.db2.gz MIKFYOXFTCEAJV-YPMHNXCESA-N 2 2 296.371 -0.356 20 0 CBADLP Cc1conc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001423189912 908141857 /nfs/dbraw/zinc/14/18/57/908141857.db2.gz MIKFYOXFTCEAJV-YPMHNXCESA-N 2 2 296.371 -0.356 20 0 CBADLP O=C(NC[C@@H](CO)[NH2+]CCF)[C@@H]1CCc2c[nH+]cn2C1 ZINC001423226132 908168245 /nfs/dbraw/zinc/16/82/45/908168245.db2.gz FYRWSRBIILZFAS-MNOVXSKESA-N 2 2 284.335 -0.518 20 0 CBADLP O=C(NCC1([NH2+]CCO)CC1)[C@H]1CCn2cc[nH+]c2C1 ZINC001423236417 908170644 /nfs/dbraw/zinc/17/06/44/908170644.db2.gz RWPLWXQJCIPQIQ-NSHDSACASA-N 2 2 278.356 -0.324 20 0 CBADLP C[C@@H](F)CC[NH2+][C@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001423308470 908197505 /nfs/dbraw/zinc/19/75/05/908197505.db2.gz JGZUZPZAUASDKS-MNOVXSKESA-N 2 2 272.324 -0.302 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001423484072 908252383 /nfs/dbraw/zinc/25/23/83/908252383.db2.gz TYGBSCSIBQJWGW-NSHDSACASA-N 2 2 279.344 -0.790 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001423485179 908252980 /nfs/dbraw/zinc/25/29/80/908252980.db2.gz XRATXUYWKSYGJV-RYUDHWBXSA-N 2 2 293.371 -0.402 20 0 CBADLP CN(C[C@@H](O)C[N@H+](C)CCO)C(=O)CCc1c[nH+]cn1C ZINC001423537624 908271674 /nfs/dbraw/zinc/27/16/74/908271674.db2.gz MTDSTOVSYGAYDX-ZDUSSCGKSA-N 2 2 298.387 -0.904 20 0 CBADLP CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)CCc1c[nH+]cn1C ZINC001423537624 908271693 /nfs/dbraw/zinc/27/16/93/908271693.db2.gz MTDSTOVSYGAYDX-ZDUSSCGKSA-N 2 2 298.387 -0.904 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)C[C@@H](O)C[N@H+](C)CCO ZINC001423530116 908272599 /nfs/dbraw/zinc/27/25/99/908272599.db2.gz AEPGBBBZDRYMBQ-YPMHNXCESA-N 2 2 298.387 -0.668 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCO ZINC001423530116 908272613 /nfs/dbraw/zinc/27/26/13/908272613.db2.gz AEPGBBBZDRYMBQ-YPMHNXCESA-N 2 2 298.387 -0.668 20 0 CBADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)C[C@@H](O)C[N@H+](C)CCO ZINC001423530116 908272630 /nfs/dbraw/zinc/27/26/30/908272630.db2.gz AEPGBBBZDRYMBQ-YPMHNXCESA-N 2 2 298.387 -0.668 20 0 CBADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCO ZINC001423530116 908272637 /nfs/dbraw/zinc/27/26/37/908272637.db2.gz AEPGBBBZDRYMBQ-YPMHNXCESA-N 2 2 298.387 -0.668 20 0 CBADLP COC[C@H](O)C[N@@H+]1CC[C@@](C)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001423599440 908290805 /nfs/dbraw/zinc/29/08/05/908290805.db2.gz HBVRMPSYJMYZLA-TZMCWYRMSA-N 2 2 296.371 -0.529 20 0 CBADLP COC[C@H](O)C[N@H+]1CC[C@@](C)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001423599440 908290821 /nfs/dbraw/zinc/29/08/21/908290821.db2.gz HBVRMPSYJMYZLA-TZMCWYRMSA-N 2 2 296.371 -0.529 20 0 CBADLP CC[N@H+](CCNS(=O)(=O)N1CC[NH+](C)CC1)C1CC1 ZINC001423657123 908298655 /nfs/dbraw/zinc/29/86/55/908298655.db2.gz SCSJUUWENWXRNE-UHFFFAOYSA-N 2 2 290.433 -0.448 20 0 CBADLP CC[N@@H+](CCNS(=O)(=O)N1CC[NH+](C)CC1)C1CC1 ZINC001423657123 908298669 /nfs/dbraw/zinc/29/86/69/908298669.db2.gz SCSJUUWENWXRNE-UHFFFAOYSA-N 2 2 290.433 -0.448 20 0 CBADLP CCC[NH+]1CC(O)(CNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001423905973 908367871 /nfs/dbraw/zinc/36/78/71/908367871.db2.gz KYZVNQRHTJYSOA-CYBMUJFWSA-N 2 2 299.415 -0.472 20 0 CBADLP COC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001424235147 908429955 /nfs/dbraw/zinc/42/99/55/908429955.db2.gz GDUHCDBZZKWEIQ-NWDGAFQWSA-N 2 2 296.371 -0.196 20 0 CBADLP CC[C@@H](C(=O)N[C@H]1COC2(C[NH+](CCO)C2)C1)[NH+](C)C ZINC001424371980 908450948 /nfs/dbraw/zinc/45/09/48/908450948.db2.gz ZVJPDBAZHBOTJY-NEPJUHHUSA-N 2 2 285.388 -0.722 20 0 CBADLP C[C@H](O)C[NH+]1CCC(CO)(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001424649512 908482854 /nfs/dbraw/zinc/48/28/54/908482854.db2.gz KKARUTLOSBECSX-LBPRGKRZSA-N 2 2 296.371 -0.793 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC1CC(C[NH2+][C@H](C)C(N)=O)C1 ZINC001424757693 908500293 /nfs/dbraw/zinc/50/02/93/908500293.db2.gz WSXZZKDEEIYOJZ-KPPDAEKUSA-N 2 2 293.371 -0.381 20 0 CBADLP C[C@H](NC(=O)CCc1c[nH+]cn1C)[C@H](C)[NH2+]CC(N)=O ZINC001424832335 908511667 /nfs/dbraw/zinc/51/16/67/908511667.db2.gz GUHXMOZMLFDLLW-UWVGGRQHSA-N 2 2 281.360 -0.679 20 0 CBADLP C[C@@H]([NH2+]CCn1cncn1)[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001424821094 908512405 /nfs/dbraw/zinc/51/24/05/908512405.db2.gz BPNRIGICEGOKHD-MNOVXSKESA-N 2 2 291.359 -0.273 20 0 CBADLP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@@H](C)[NH2+]Cc1ncnn1C ZINC001424864493 908515487 /nfs/dbraw/zinc/51/54/87/908515487.db2.gz QUMIECSDHFXTFE-GHMZBOCLSA-N 2 2 291.359 -0.305 20 0 CBADLP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)[NH2+]Cc1ncnn1C ZINC001424864498 908517962 /nfs/dbraw/zinc/51/79/62/908517962.db2.gz QUMIECSDHFXTFE-WDEREUQCSA-N 2 2 291.359 -0.305 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)[N@H+](C)CCO ZINC001424971607 908540827 /nfs/dbraw/zinc/54/08/27/908540827.db2.gz MUZZQIQNUJYICC-VXGBXAGGSA-N 2 2 280.372 -0.126 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)[N@@H+](C)CCO ZINC001424971607 908540840 /nfs/dbraw/zinc/54/08/40/908540840.db2.gz MUZZQIQNUJYICC-VXGBXAGGSA-N 2 2 280.372 -0.126 20 0 CBADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)[N@H+](C)[C@@H]1CCNC1=O ZINC001425063635 908565573 /nfs/dbraw/zinc/56/55/73/908565573.db2.gz XZNVWVVXPWVUMD-ZYHUDNBSSA-N 2 2 293.371 -0.712 20 0 CBADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)[N@@H+](C)[C@@H]1CCNC1=O ZINC001425063635 908565588 /nfs/dbraw/zinc/56/55/88/908565588.db2.gz XZNVWVVXPWVUMD-ZYHUDNBSSA-N 2 2 293.371 -0.712 20 0 CBADLP C[C@H](NC(=O)CC[NH+]1CCCCC1)C1C[NH+](CC(N)=O)C1 ZINC001425264566 908598907 /nfs/dbraw/zinc/59/89/07/908598907.db2.gz MUEMKSMPTBCABA-LBPRGKRZSA-N 2 2 296.415 -0.216 20 0 CBADLP CCN(C)C(=O)C[NH2+][C@@H](C)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001425634657 908687796 /nfs/dbraw/zinc/68/77/96/908687796.db2.gz KINFKYANKZCFGV-NSHDSACASA-N 2 2 295.387 -0.133 20 0 CBADLP C[C@H](CN(C)C(=O)Cc1[nH]cc[nH+]1)[NH2+][C@@H]1CCNC1=O ZINC001425677150 908690840 /nfs/dbraw/zinc/69/08/40/908690840.db2.gz YQVIXONBVSILPN-NXEZZACHSA-N 2 2 279.344 -0.723 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC1CC(C[NH2+]CCO)C1 ZINC001505539296 921434740 /nfs/dbraw/zinc/43/47/40/921434740.db2.gz CJGKSWKUFNASEK-UHFFFAOYSA-N 2 2 252.318 -0.640 20 0 CBADLP CN(C)C(=O)C[NH2+]CC1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC001505539303 921435699 /nfs/dbraw/zinc/43/56/99/921435699.db2.gz CTTMGZFVHVXRAB-UHFFFAOYSA-N 2 2 293.371 -0.544 20 0 CBADLP C[C@@H](O)C[NH2+]C[C@@H](O)CN(C)C(=O)CCc1[nH+]ccn1C ZINC001426034822 908808500 /nfs/dbraw/zinc/80/85/00/908808500.db2.gz VAARHCREZJKTEJ-VXGBXAGGSA-N 2 2 298.387 -0.858 20 0 CBADLP CN(C[C@H](O)C[NH2+]CC1CC1)C(=O)Cc1c[nH+]cn1C ZINC001426032215 908809444 /nfs/dbraw/zinc/80/94/44/908809444.db2.gz OOKMQWOMOMFMLZ-CYBMUJFWSA-N 2 2 280.372 -0.219 20 0 CBADLP C[C@H](O)C[NH2+]C[C@@H](O)CN(C)C(=O)CCc1[nH+]ccn1C ZINC001426034812 908810274 /nfs/dbraw/zinc/81/02/74/908810274.db2.gz VAARHCREZJKTEJ-NWDGAFQWSA-N 2 2 298.387 -0.858 20 0 CBADLP CN(C[C@@H](O)C[N@H+](C)CCF)C(=O)CCn1cc[nH+]c1 ZINC001426085140 908823840 /nfs/dbraw/zinc/82/38/40/908823840.db2.gz YXZIKBJWYIYGCD-LBPRGKRZSA-N 2 2 286.351 -0.006 20 0 CBADLP CN(C[C@@H](O)C[N@@H+](C)CCF)C(=O)CCn1cc[nH+]c1 ZINC001426085140 908823855 /nfs/dbraw/zinc/82/38/55/908823855.db2.gz YXZIKBJWYIYGCD-LBPRGKRZSA-N 2 2 286.351 -0.006 20 0 CBADLP CN(C[C@H](O)C[N@H+](C)CCF)C(=O)CCn1cc[nH+]c1 ZINC001426085132 908827873 /nfs/dbraw/zinc/82/78/73/908827873.db2.gz YXZIKBJWYIYGCD-GFCCVEGCSA-N 2 2 286.351 -0.006 20 0 CBADLP CN(C[C@H](O)C[N@@H+](C)CCF)C(=O)CCn1cc[nH+]c1 ZINC001426085132 908827891 /nfs/dbraw/zinc/82/78/91/908827891.db2.gz YXZIKBJWYIYGCD-GFCCVEGCSA-N 2 2 286.351 -0.006 20 0 CBADLP CO[C@@H](C)C[N@H+](C)C[C@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001426101715 908831600 /nfs/dbraw/zinc/83/16/00/908831600.db2.gz OCHITHYYJSDBSH-AAEUAGOBSA-N 2 2 298.387 -0.262 20 0 CBADLP CO[C@@H](C)C[N@@H+](C)C[C@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001426101715 908831608 /nfs/dbraw/zinc/83/16/08/908831608.db2.gz OCHITHYYJSDBSH-AAEUAGOBSA-N 2 2 298.387 -0.262 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@H]3C[C@@H](O)C3)C2)CC1 ZINC001426938751 908920597 /nfs/dbraw/zinc/92/05/97/908920597.db2.gz BFSCKFJKJQIRPF-SGMGOOAPSA-N 2 2 296.415 -0.023 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@H]3C[C@@H](O)C3)C2)CC1 ZINC001426938751 908920606 /nfs/dbraw/zinc/92/06/06/908920606.db2.gz BFSCKFJKJQIRPF-SGMGOOAPSA-N 2 2 296.415 -0.023 20 0 CBADLP CC[N@H+](CCO)CCNC(=O)NCCc1cn(C)c[nH+]1 ZINC001427706068 908989040 /nfs/dbraw/zinc/98/90/40/908989040.db2.gz ONHOHMKHULLUTF-UHFFFAOYSA-N 2 2 283.376 -0.424 20 0 CBADLP CC[N@@H+](CCO)CCNC(=O)NCCc1cn(C)c[nH+]1 ZINC001427706068 908989055 /nfs/dbraw/zinc/98/90/55/908989055.db2.gz ONHOHMKHULLUTF-UHFFFAOYSA-N 2 2 283.376 -0.424 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NC(=O)Cn1cc[nH+]c1 ZINC001428631181 909150453 /nfs/dbraw/zinc/15/04/53/909150453.db2.gz OHTWHIWFYPKNCX-RYUDHWBXSA-N 2 2 293.371 -0.544 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)Cn1cc[nH+]c1 ZINC001428631181 909150459 /nfs/dbraw/zinc/15/04/59/909150459.db2.gz OHTWHIWFYPKNCX-RYUDHWBXSA-N 2 2 293.371 -0.544 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)[C@@H](C)[NH2+]CC(=O)N(C)C ZINC001505737227 921472344 /nfs/dbraw/zinc/47/23/44/921472344.db2.gz CDWXAMLKLJNSFO-NXEZZACHSA-N 2 2 295.387 -0.168 20 0 CBADLP CC[C@@H](C(=O)NCCN(C)C(=O)Cc1[nH]cc[nH+]1)[NH+](C)C ZINC001429504392 909251865 /nfs/dbraw/zinc/25/18/65/909251865.db2.gz XUYKVFVARJSBNY-NSHDSACASA-N 2 2 295.387 -0.133 20 0 CBADLP CN(CCNC(=O)Cc1[nH]cc[nH+]1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001431476366 909478630 /nfs/dbraw/zinc/47/86/30/909478630.db2.gz PEBHLNUROUBDOA-LLVKDONJSA-N 2 2 293.371 -0.522 20 0 CBADLP CN(CCNC(=O)Cc1[nH]cc[nH+]1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001431476366 909478646 /nfs/dbraw/zinc/47/86/46/909478646.db2.gz PEBHLNUROUBDOA-LLVKDONJSA-N 2 2 293.371 -0.522 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)[N@H+](C)CCO ZINC001505947980 921508855 /nfs/dbraw/zinc/50/88/55/921508855.db2.gz FNLCDXGMTYCOKP-VXGBXAGGSA-N 2 2 280.372 -0.126 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)[N@@H+](C)CCO ZINC001505947980 921508864 /nfs/dbraw/zinc/50/88/64/921508864.db2.gz FNLCDXGMTYCOKP-VXGBXAGGSA-N 2 2 280.372 -0.126 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)[N@H+](C)CCO ZINC001506045749 921530196 /nfs/dbraw/zinc/53/01/96/921530196.db2.gz CSNXUZWVIUYESJ-SECBINFHSA-N 2 2 254.334 -0.311 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)[N@@H+](C)CCO ZINC001506045749 921530203 /nfs/dbraw/zinc/53/02/03/921530203.db2.gz CSNXUZWVIUYESJ-SECBINFHSA-N 2 2 254.334 -0.311 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)[N@H+](C)CCO ZINC001506045750 921530560 /nfs/dbraw/zinc/53/05/60/921530560.db2.gz CSNXUZWVIUYESJ-VIFPVBQESA-N 2 2 254.334 -0.311 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)[N@@H+](C)CCO ZINC001506045750 921530583 /nfs/dbraw/zinc/53/05/83/921530583.db2.gz CSNXUZWVIUYESJ-VIFPVBQESA-N 2 2 254.334 -0.311 20 0 CBADLP C[C@@H]1C[N@@H+](C2CC2)CCN1C(=O)CN1CC[NH+](C)CC1 ZINC001434438311 910183019 /nfs/dbraw/zinc/18/30/19/910183019.db2.gz LDDVRCSGIRHNEE-CYBMUJFWSA-N 2 2 280.416 -0.071 20 0 CBADLP C[C@@H]1C[N@H+](C2CC2)CCN1C(=O)CN1CC[NH+](C)CC1 ZINC001434438311 910183031 /nfs/dbraw/zinc/18/30/31/910183031.db2.gz LDDVRCSGIRHNEE-CYBMUJFWSA-N 2 2 280.416 -0.071 20 0 CBADLP O[C@@H]1COCC[C@H]1[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001434536493 910250487 /nfs/dbraw/zinc/25/04/87/910250487.db2.gz QNYSTPJVVLIXJM-MGPQQGTHSA-N 2 2 270.373 -0.021 20 0 CBADLP CCC[N@H+](C)CC(=O)N(C)C[C@H]1CC[NH+]1CC(=O)N(C)C ZINC001436332908 910426113 /nfs/dbraw/zinc/42/61/13/910426113.db2.gz WLSZUUMRCLQEDJ-CYBMUJFWSA-N 2 2 298.431 -0.051 20 0 CBADLP CCC[N@@H+](C)CC(=O)N(C)C[C@H]1CC[NH+]1CC(=O)N(C)C ZINC001436332908 910426125 /nfs/dbraw/zinc/42/61/25/910426125.db2.gz WLSZUUMRCLQEDJ-CYBMUJFWSA-N 2 2 298.431 -0.051 20 0 CBADLP CCC[NH+](C)CC(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)N(C)C ZINC001436332908 910426141 /nfs/dbraw/zinc/42/61/41/910426141.db2.gz WLSZUUMRCLQEDJ-CYBMUJFWSA-N 2 2 298.431 -0.051 20 0 CBADLP CCC[NH+](C)CC(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)N(C)C ZINC001436332908 910426156 /nfs/dbraw/zinc/42/61/56/910426156.db2.gz WLSZUUMRCLQEDJ-CYBMUJFWSA-N 2 2 298.431 -0.051 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)CCC[NH+](C)C ZINC001436331024 910427555 /nfs/dbraw/zinc/42/75/55/910427555.db2.gz NVMARGCRQJWBSD-QWHCGFSZSA-N 2 2 298.431 -0.005 20 0 CBADLP CNC(=O)[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)CCC[NH+](C)C ZINC001436331024 910427567 /nfs/dbraw/zinc/42/75/67/910427567.db2.gz NVMARGCRQJWBSD-QWHCGFSZSA-N 2 2 298.431 -0.005 20 0 CBADLP CNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001436353124 910434290 /nfs/dbraw/zinc/43/42/90/910434290.db2.gz CHQLYFUVSPKXCY-TXEJJXNPSA-N 2 2 293.371 -0.496 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001436730996 910478757 /nfs/dbraw/zinc/47/87/57/910478757.db2.gz OXQYEECDPOOJRS-LLVKDONJSA-N 2 2 282.388 -0.735 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001436730996 910478766 /nfs/dbraw/zinc/47/87/66/910478766.db2.gz OXQYEECDPOOJRS-LLVKDONJSA-N 2 2 282.388 -0.735 20 0 CBADLP Cn1nnc(C[NH2+][C@@H](CNC(=O)CC[NH+](C)C)C2CC2)n1 ZINC001436817650 910491079 /nfs/dbraw/zinc/49/10/79/910491079.db2.gz JJURRSUOTUXSEU-NSHDSACASA-N 2 2 295.391 -0.854 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001436979428 910519926 /nfs/dbraw/zinc/51/99/26/910519926.db2.gz UYJCRZPMLHLBLH-GARJFASQSA-N 2 2 293.371 -0.666 20 0 CBADLP CNC(=O)C[NH2+][C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001437210485 910586292 /nfs/dbraw/zinc/58/62/92/910586292.db2.gz KGZKCYPAFUQBLM-MNOVXSKESA-N 2 2 281.360 -0.326 20 0 CBADLP CNC(=O)C[NH2+][C@@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001437210493 910588864 /nfs/dbraw/zinc/58/88/64/910588864.db2.gz KGZKCYPAFUQBLM-WDEREUQCSA-N 2 2 281.360 -0.326 20 0 CBADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CCN1CCNC1=O ZINC001437222853 910592086 /nfs/dbraw/zinc/59/20/86/910592086.db2.gz POWUIKAVKTZCNZ-JTQLQIEISA-N 2 2 294.359 -0.928 20 0 CBADLP CNC(=O)C[NH2+][C@@H]1CCC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001437331589 910612611 /nfs/dbraw/zinc/61/26/11/910612611.db2.gz ODRCACFWKUPQOM-MNOVXSKESA-N 2 2 293.371 -0.285 20 0 CBADLP CC(C)(C(=O)N1CC[C@H](C[NH2+]CC(N)=O)C1)c1c[nH+]c[nH]1 ZINC001437317924 910614320 /nfs/dbraw/zinc/61/43/20/910614320.db2.gz TZBKLYYDTFGWEO-SNVBAGLBSA-N 2 2 293.371 -0.389 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@H](C)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001437406744 910629448 /nfs/dbraw/zinc/62/94/48/910629448.db2.gz TZOYBDATBIXQMX-NXEZZACHSA-N 2 2 281.360 -0.429 20 0 CBADLP C[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)CC(=O)NC1CC1 ZINC001437540560 910678417 /nfs/dbraw/zinc/67/84/17/910678417.db2.gz DKHXACOKGJYFAH-UHFFFAOYSA-N 2 2 294.399 -0.591 20 0 CBADLP C[N@@H+](CCNC(=O)C12CC[NH+](CC1)C2)CC(=O)NC1CC1 ZINC001437540560 910678425 /nfs/dbraw/zinc/67/84/25/910678425.db2.gz DKHXACOKGJYFAH-UHFFFAOYSA-N 2 2 294.399 -0.591 20 0 CBADLP C[N@H+](CCNC(=O)Cn1cc[nH+]c1)CCNC(=O)C1CC1 ZINC001437568131 910687252 /nfs/dbraw/zinc/68/72/52/910687252.db2.gz FJFPKFUHQUNPNJ-UHFFFAOYSA-N 2 2 293.371 -0.543 20 0 CBADLP C[N@@H+](CCNC(=O)Cn1cc[nH+]c1)CCNC(=O)C1CC1 ZINC001437568131 910687263 /nfs/dbraw/zinc/68/72/63/910687263.db2.gz FJFPKFUHQUNPNJ-UHFFFAOYSA-N 2 2 293.371 -0.543 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001437725112 910738057 /nfs/dbraw/zinc/73/80/57/910738057.db2.gz ODVSGLVCLSMAFA-WDEREUQCSA-N 2 2 291.355 -0.721 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001437725112 910738074 /nfs/dbraw/zinc/73/80/74/910738074.db2.gz ODVSGLVCLSMAFA-WDEREUQCSA-N 2 2 291.355 -0.721 20 0 CBADLP CCC[N@H+](CCNC(=O)Cn1cc[nH+]c1)[C@H](C)C(N)=O ZINC001437765676 910744735 /nfs/dbraw/zinc/74/47/35/910744735.db2.gz GAFFVRYDXQNOHB-LLVKDONJSA-N 2 2 281.360 -0.415 20 0 CBADLP CCC[N@@H+](CCNC(=O)Cn1cc[nH+]c1)[C@H](C)C(N)=O ZINC001437765676 910744745 /nfs/dbraw/zinc/74/47/45/910744745.db2.gz GAFFVRYDXQNOHB-LLVKDONJSA-N 2 2 281.360 -0.415 20 0 CBADLP CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)C[N@H+](C)C(C)C)C1 ZINC001506680240 921604154 /nfs/dbraw/zinc/60/41/54/921604154.db2.gz RMGCQYXACRCBKZ-LLVKDONJSA-N 2 2 284.404 -0.491 20 0 CBADLP CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001506680240 921604161 /nfs/dbraw/zinc/60/41/61/921604161.db2.gz RMGCQYXACRCBKZ-LLVKDONJSA-N 2 2 284.404 -0.491 20 0 CBADLP C[N@H+](CCc1ccccc1)CC(=O)NC1C[NH+](CCO)C1 ZINC001438074658 910814106 /nfs/dbraw/zinc/81/41/06/910814106.db2.gz XXIDVBSCBFBFGX-UHFFFAOYSA-N 2 2 291.395 -0.046 20 0 CBADLP C[N@@H+](CCc1ccccc1)CC(=O)NC1C[NH+](CCO)C1 ZINC001438074658 910814115 /nfs/dbraw/zinc/81/41/15/910814115.db2.gz XXIDVBSCBFBFGX-UHFFFAOYSA-N 2 2 291.395 -0.046 20 0 CBADLP CC[C@H](CNC(=O)Cc1[nH]c[nH+]c1C)[NH2+]CC(=O)NC ZINC001438359557 910884358 /nfs/dbraw/zinc/88/43/58/910884358.db2.gz PVUKZUBQNQHNOY-SNVBAGLBSA-N 2 2 281.360 -0.509 20 0 CBADLP CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001438555133 910917560 /nfs/dbraw/zinc/91/75/60/910917560.db2.gz SGMZECWGKPJECU-LLVKDONJSA-N 2 2 281.360 -0.639 20 0 CBADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+]Cc1ncnn1C ZINC001438553184 910918209 /nfs/dbraw/zinc/91/82/09/910918209.db2.gz QRHLKHBLGMSVFH-NSHDSACASA-N 2 2 291.359 -0.446 20 0 CBADLP CC[C@H]([NH2+][C@H](CNC(=O)Cc1c[nH]c[nH+]1)C(C)C)C(N)=O ZINC001438835059 910971677 /nfs/dbraw/zinc/97/16/77/910971677.db2.gz OAZVVDMXXRGPLK-NWDGAFQWSA-N 2 2 295.387 -0.054 20 0 CBADLP CC[C@@H]([NH2+][C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C(C)C)C(N)=O ZINC001438835049 910973401 /nfs/dbraw/zinc/97/34/01/910973401.db2.gz OAZVVDMXXRGPLK-NEPJUHHUSA-N 2 2 295.387 -0.054 20 0 CBADLP CC(C)[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+][C@H](C)C(N)=O ZINC001438855579 910974913 /nfs/dbraw/zinc/97/49/13/910974913.db2.gz XUQHXZAUWCTSPP-MNOVXSKESA-N 2 2 281.360 -0.513 20 0 CBADLP CC(C)[C@H](CNC(=O)CCc1c[nH+]cn1C)[NH2+]CC(N)=O ZINC001438845814 910977412 /nfs/dbraw/zinc/97/74/12/910977412.db2.gz SKODJXVPBKJOSJ-LBPRGKRZSA-N 2 2 295.387 -0.432 20 0 CBADLP CNC(=O)C[N@H+](C)CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001438927170 910998840 /nfs/dbraw/zinc/99/88/40/910998840.db2.gz IUFSWBRGWQDDAQ-UHFFFAOYSA-N 2 2 282.388 -0.782 20 0 CBADLP CNC(=O)C[N@@H+](C)CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001438927170 910998851 /nfs/dbraw/zinc/99/88/51/910998851.db2.gz IUFSWBRGWQDDAQ-UHFFFAOYSA-N 2 2 282.388 -0.782 20 0 CBADLP C[C@H](C[NH2+][C@@H]1CCN(C)C1=O)NC(=O)CCn1cc[nH+]c1 ZINC001439139424 911114899 /nfs/dbraw/zinc/11/48/99/911114899.db2.gz VHSSANWMEXZFRO-VXGBXAGGSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@H](C[NH2+][C@H]1CCN(C)C1=O)NC(=O)CCn1cc[nH+]c1 ZINC001439139422 911116317 /nfs/dbraw/zinc/11/63/17/911116317.db2.gz VHSSANWMEXZFRO-NEPJUHHUSA-N 2 2 293.371 -0.402 20 0 CBADLP CCN(CC)C(=O)C[NH2+]C[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001439156093 911119693 /nfs/dbraw/zinc/11/96/93/911119693.db2.gz NLORXSVFODMRDQ-LLVKDONJSA-N 2 2 295.387 -0.085 20 0 CBADLP Cc1noc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001439283856 911166457 /nfs/dbraw/zinc/16/64/57/911166457.db2.gz VGKJQRLHPQNBLR-GXSJLCMTSA-N 2 2 281.360 -0.076 20 0 CBADLP Cc1noc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001439283856 911166470 /nfs/dbraw/zinc/16/64/70/911166470.db2.gz VGKJQRLHPQNBLR-GXSJLCMTSA-N 2 2 281.360 -0.076 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001439548331 911237550 /nfs/dbraw/zinc/23/75/50/911237550.db2.gz RRTTVRWGTYEEOJ-VXGBXAGGSA-N 2 2 284.404 -0.217 20 0 CBADLP CC[C@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001439548331 911237563 /nfs/dbraw/zinc/23/75/63/911237563.db2.gz RRTTVRWGTYEEOJ-VXGBXAGGSA-N 2 2 284.404 -0.217 20 0 CBADLP CN1CC[C@H]([NH2+]C2(CNC(=O)Cn3cc[nH+]c3)CC2)C1=O ZINC001439686681 911277007 /nfs/dbraw/zinc/27/70/07/911277007.db2.gz ODGVPTMSZHCKCJ-NSHDSACASA-N 2 2 291.355 -0.648 20 0 CBADLP CO[C@H](C)C[NH+]1CC(O)(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001440073833 911375879 /nfs/dbraw/zinc/37/58/79/911375879.db2.gz GYDXUITZGYKZAN-CHWSQXEVSA-N 2 2 299.415 -0.474 20 0 CBADLP CO[C@H](C)C[NH+]1CC(O)(CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001440073833 911375895 /nfs/dbraw/zinc/37/58/95/911375895.db2.gz GYDXUITZGYKZAN-CHWSQXEVSA-N 2 2 299.415 -0.474 20 0 CBADLP C[C@H](O)C[NH+]1CC(O)(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001440094500 911382762 /nfs/dbraw/zinc/38/27/62/911382762.db2.gz PCCONAREOMIYSR-ZDUSSCGKSA-N 2 2 299.415 -0.594 20 0 CBADLP C[C@@H](O)C[NH+]1CC(O)(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001440094498 911383017 /nfs/dbraw/zinc/38/30/17/911383017.db2.gz PCCONAREOMIYSR-CYBMUJFWSA-N 2 2 299.415 -0.594 20 0 CBADLP CCC[N@H+](C)CC(=O)N(C)C[C@@H]1CC[NH+]1[C@H](C)C(N)=O ZINC001440262314 911420725 /nfs/dbraw/zinc/42/07/25/911420725.db2.gz RABUUJDXEWPOAS-NEPJUHHUSA-N 2 2 284.404 -0.265 20 0 CBADLP CCC[N@@H+](C)CC(=O)N(C)C[C@@H]1CC[NH+]1[C@H](C)C(N)=O ZINC001440262314 911420737 /nfs/dbraw/zinc/42/07/37/911420737.db2.gz RABUUJDXEWPOAS-NEPJUHHUSA-N 2 2 284.404 -0.265 20 0 CBADLP CCC[NH+](C)CC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@H](C)C(N)=O ZINC001440262314 911420743 /nfs/dbraw/zinc/42/07/43/911420743.db2.gz RABUUJDXEWPOAS-NEPJUHHUSA-N 2 2 284.404 -0.265 20 0 CBADLP CCC[NH+](C)CC(=O)N(C)C[C@@H]1CC[N@H+]1[C@H](C)C(N)=O ZINC001440262314 911420753 /nfs/dbraw/zinc/42/07/53/911420753.db2.gz RABUUJDXEWPOAS-NEPJUHHUSA-N 2 2 284.404 -0.265 20 0 CBADLP CO[C@@H](C)C[N@@H+]1CCOC[C@H]1CNC(=O)CC[NH+](C)C ZINC001440271267 911421476 /nfs/dbraw/zinc/42/14/76/911421476.db2.gz MIISLHJMKPRRIA-QWHCGFSZSA-N 2 2 287.404 -0.210 20 0 CBADLP CO[C@@H](C)C[N@H+]1CCOC[C@H]1CNC(=O)CC[NH+](C)C ZINC001440271267 911421487 /nfs/dbraw/zinc/42/14/87/911421487.db2.gz MIISLHJMKPRRIA-QWHCGFSZSA-N 2 2 287.404 -0.210 20 0 CBADLP Cn1nnc(C[NH2+][C@H]2C[C@@H](CNC(=O)CC[NH+](C)C)C2)n1 ZINC001440301539 911425679 /nfs/dbraw/zinc/42/56/79/911425679.db2.gz DILGGHSHPSZYKR-PHIMTYICSA-N 2 2 295.391 -0.854 20 0 CBADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC1([NH2+]CC(N)=O)CCC1 ZINC001440344466 911433214 /nfs/dbraw/zinc/43/32/14/911433214.db2.gz ZWDCXPDNFZMNIH-JTQLQIEISA-N 2 2 293.371 -0.298 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N1CCC[C@@H]([NH+](CCO)CCO)C1 ZINC001440454289 911458979 /nfs/dbraw/zinc/45/89/79/911458979.db2.gz MUDXJQZZYFDVDO-GFCCVEGCSA-N 2 2 296.371 -0.770 20 0 CBADLP C[C@@H](O)C[NH2+]CC1(O)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001440641776 911486457 /nfs/dbraw/zinc/48/64/57/911486457.db2.gz VIFBYGJYWQBRLC-GFCCVEGCSA-N 2 2 296.371 -0.793 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@@H](C)CCNC(=O)CCn1cc[nH+]c1 ZINC001440668600 911488049 /nfs/dbraw/zinc/48/80/49/911488049.db2.gz BWQQISKPGBEFHT-NWDGAFQWSA-N 2 2 295.387 -0.108 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NCC[C@H](C)[NH2+]Cc1nnn(C)n1 ZINC001440692840 911494491 /nfs/dbraw/zinc/49/44/91/911494491.db2.gz SXTMEADNLQSMNY-NSHDSACASA-N 2 2 297.407 -0.465 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NCC[C@H](C)[NH2+]Cc1nnn(C)n1 ZINC001440692840 911494498 /nfs/dbraw/zinc/49/44/98/911494498.db2.gz SXTMEADNLQSMNY-NSHDSACASA-N 2 2 297.407 -0.465 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC1CC(C[NH2+]CC(N)=O)C1 ZINC001440758573 911503720 /nfs/dbraw/zinc/50/37/20/911503720.db2.gz DOWFQQRDAPATGT-KPPDAEKUSA-N 2 2 293.371 -0.442 20 0 CBADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC1CC(C[NH2+]CC(N)=O)C1 ZINC001440758573 911503736 /nfs/dbraw/zinc/50/37/36/911503736.db2.gz DOWFQQRDAPATGT-KPPDAEKUSA-N 2 2 293.371 -0.442 20 0 CBADLP C[C@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H](C)[NH2+]CC(=O)NC1CC1 ZINC001440838309 911521373 /nfs/dbraw/zinc/52/13/73/911521373.db2.gz RLVKXVNVPHWHEZ-UWVGGRQHSA-N 2 2 293.371 -0.286 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)[N@H+](C)CCO ZINC001440936136 911556606 /nfs/dbraw/zinc/55/66/06/911556606.db2.gz BCQDLXCRGGLZQV-RYUDHWBXSA-N 2 2 280.372 -0.126 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)[N@@H+](C)CCO ZINC001440936136 911556626 /nfs/dbraw/zinc/55/66/26/911556626.db2.gz BCQDLXCRGGLZQV-RYUDHWBXSA-N 2 2 280.372 -0.126 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)[N@H+](C)CCO ZINC001440936130 911558371 /nfs/dbraw/zinc/55/83/71/911558371.db2.gz BCQDLXCRGGLZQV-NWDGAFQWSA-N 2 2 280.372 -0.126 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)[N@@H+](C)CCO ZINC001440936130 911558383 /nfs/dbraw/zinc/55/83/83/911558383.db2.gz BCQDLXCRGGLZQV-NWDGAFQWSA-N 2 2 280.372 -0.126 20 0 CBADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[N@H+](C)[C@H](C)C(=O)N(C)C ZINC001441024158 911587847 /nfs/dbraw/zinc/58/78/47/911587847.db2.gz MDTMLCWGLXIBMK-VXGBXAGGSA-N 2 2 295.387 -0.204 20 0 CBADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[N@@H+](C)[C@H](C)C(=O)N(C)C ZINC001441024158 911587853 /nfs/dbraw/zinc/58/78/53/911587853.db2.gz MDTMLCWGLXIBMK-VXGBXAGGSA-N 2 2 295.387 -0.204 20 0 CBADLP C[C@@H](CN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1)[NH2+]CC(N)=O ZINC001507093141 921676478 /nfs/dbraw/zinc/67/64/78/921676478.db2.gz LQKMWNFYTFPFLQ-QWRGUYRKSA-N 2 2 293.371 -0.633 20 0 CBADLP CC(C)[C@H](C(=O)N[C@H](C)C1C[NH+](CC(N)=O)C1)[NH+](C)C ZINC001441183380 911621137 /nfs/dbraw/zinc/62/11/37/911621137.db2.gz SLQCHYJVBTYCER-ZWNOBZJWSA-N 2 2 284.404 -0.506 20 0 CBADLP CNC(=O)C[NH2+][C@@H](CNC(=O)CCn1cc[nH+]c1)C1CC1 ZINC001441224657 911625824 /nfs/dbraw/zinc/62/58/24/911625824.db2.gz JKJBAEKCEXTHEB-LBPRGKRZSA-N 2 2 293.371 -0.496 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001441365718 911653573 /nfs/dbraw/zinc/65/35/73/911653573.db2.gz FCUFIQVRWZTLBD-GMTAPVOTSA-N 2 2 293.371 -0.429 20 0 CBADLP C[C@H](CN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1)[NH2+]CC(N)=O ZINC001507093139 921675177 /nfs/dbraw/zinc/67/51/77/921675177.db2.gz LQKMWNFYTFPFLQ-GHMZBOCLSA-N 2 2 293.371 -0.633 20 0 CBADLP CCCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001441521128 911694459 /nfs/dbraw/zinc/69/44/59/911694459.db2.gz DIZRZDGIQLDHRR-PHIMTYICSA-N 2 2 293.371 -0.285 20 0 CBADLP O=C(C[NH2+][C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1)NC1CC1 ZINC001441521546 911695693 /nfs/dbraw/zinc/69/56/93/911695693.db2.gz MIDJPVFALKBXBS-PHIMTYICSA-N 2 2 291.355 -0.532 20 0 CBADLP C[C@@H]([NH2+][C@@H](C)CN(C)C(=O)Cc1c[nH+]c[nH]1)C(N)=O ZINC001507130055 921684894 /nfs/dbraw/zinc/68/48/94/921684894.db2.gz QRGANVKVHVIGJG-DTWKUNHWSA-N 2 2 267.333 -0.738 20 0 CBADLP C[C@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)[NH2+][C@@H](C)C(N)=O ZINC001507130053 921685548 /nfs/dbraw/zinc/68/55/48/921685548.db2.gz QRGANVKVHVIGJG-BDAKNGLRSA-N 2 2 267.333 -0.738 20 0 CBADLP C[C@H](CN(C)C(=O)CCc1c[nH+]cn1C)[NH2+][C@H](C)C(N)=O ZINC001441632272 911719446 /nfs/dbraw/zinc/71/94/46/911719446.db2.gz ADRJLWSBDVOURO-GHMZBOCLSA-N 2 2 295.387 -0.337 20 0 CBADLP Cn1ccc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC001441677939 911740431 /nfs/dbraw/zinc/74/04/31/911740431.db2.gz GRVWYVVJDGBXRO-STQMWFEESA-N 2 2 295.387 -0.919 20 0 CBADLP Cn1ccc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001441677939 911740444 /nfs/dbraw/zinc/74/04/44/911740444.db2.gz GRVWYVVJDGBXRO-STQMWFEESA-N 2 2 295.387 -0.919 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](CO)[NH2+]C/C=C/Cl)C1 ZINC001441693454 911751548 /nfs/dbraw/zinc/75/15/48/911751548.db2.gz GUGKLRFFPDAXEZ-ZNRGBCAMSA-N 2 2 291.779 -0.864 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)NC[C@@H](CO)[NH2+]C/C=C/Cl)C1 ZINC001441693454 911751554 /nfs/dbraw/zinc/75/15/54/911751554.db2.gz GUGKLRFFPDAXEZ-ZNRGBCAMSA-N 2 2 291.779 -0.864 20 0 CBADLP Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@H](CO)[NH2+]CCF)CC2 ZINC001441742338 911775464 /nfs/dbraw/zinc/77/54/64/911775464.db2.gz OVDUKCLLQDCFSU-VXGBXAGGSA-N 2 2 298.362 -0.210 20 0 CBADLP C[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+][C@@H](C)C(=O)N(C)C ZINC001441857765 911837316 /nfs/dbraw/zinc/83/73/16/911837316.db2.gz MHBZZFLXEJJXCC-QWRGUYRKSA-N 2 2 295.387 -0.087 20 0 CBADLP C[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH2+][C@@H](C)C(=O)N(C)C ZINC001441857765 911837328 /nfs/dbraw/zinc/83/73/28/911837328.db2.gz MHBZZFLXEJJXCC-QWRGUYRKSA-N 2 2 295.387 -0.087 20 0 CBADLP COC[C@@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001442022402 911895742 /nfs/dbraw/zinc/89/57/42/911895742.db2.gz ONNZGSGOJHCOMM-GHMZBOCLSA-N 2 2 284.360 -0.604 20 0 CBADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H](C[NH2+]CC(N)=O)C1 ZINC001442152934 911937916 /nfs/dbraw/zinc/93/79/16/911937916.db2.gz OGBKPMFWDJEWJS-WDEREUQCSA-N 2 2 293.371 -0.488 20 0 CBADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H](C[NH2+]CC(N)=O)C1 ZINC001442152934 911937933 /nfs/dbraw/zinc/93/79/33/911937933.db2.gz OGBKPMFWDJEWJS-WDEREUQCSA-N 2 2 293.371 -0.488 20 0 CBADLP C[C@@H]([NH2+]C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)C(C)(C)C)C(N)=O ZINC001442165329 911942270 /nfs/dbraw/zinc/94/22/70/911942270.db2.gz QLRVSQBBCNSKRA-MWLCHTKSSA-N 2 2 295.387 -0.054 20 0 CBADLP CCNC(=O)C[N@H+](C)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001442509702 912035556 /nfs/dbraw/zinc/03/55/56/912035556.db2.gz TUEXOBZXFARDBH-UHFFFAOYSA-N 2 2 284.404 -0.488 20 0 CBADLP CCNC(=O)C[N@@H+](C)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001442509702 912035571 /nfs/dbraw/zinc/03/55/71/912035571.db2.gz TUEXOBZXFARDBH-UHFFFAOYSA-N 2 2 284.404 -0.488 20 0 CBADLP Cc1cc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CCC[N@H+]2C)on1 ZINC001507177911 921713531 /nfs/dbraw/zinc/71/35/31/921713531.db2.gz IFIHIUKXAVXSRH-YPMHNXCESA-N 2 2 296.371 -0.356 20 0 CBADLP C[N@H+](CCNC(=O)Cc1c[nH]c[nH+]1)CCn1cncn1 ZINC001442529392 912041972 /nfs/dbraw/zinc/04/19/72/912041972.db2.gz DCAVEGIDNZZYLR-UHFFFAOYSA-N 2 2 277.332 -0.708 20 0 CBADLP C[N@@H+](CCNC(=O)Cc1c[nH]c[nH+]1)CCn1cncn1 ZINC001442529392 912041987 /nfs/dbraw/zinc/04/19/87/912041987.db2.gz DCAVEGIDNZZYLR-UHFFFAOYSA-N 2 2 277.332 -0.708 20 0 CBADLP Cc1cc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CCC[N@@H+]2C)on1 ZINC001507177911 921713542 /nfs/dbraw/zinc/71/35/42/921713542.db2.gz IFIHIUKXAVXSRH-YPMHNXCESA-N 2 2 296.371 -0.356 20 0 CBADLP CC[N@H+](CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)CC(N)=O ZINC001442756571 912096141 /nfs/dbraw/zinc/09/61/41/912096141.db2.gz PYSYCKABHXLONB-VXGBXAGGSA-N 2 2 284.404 -0.217 20 0 CBADLP CC[N@@H+](CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)CC(N)=O ZINC001442756571 912096155 /nfs/dbraw/zinc/09/61/55/912096155.db2.gz PYSYCKABHXLONB-VXGBXAGGSA-N 2 2 284.404 -0.217 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001442907984 912123533 /nfs/dbraw/zinc/12/35/33/912123533.db2.gz SUJIARZPZGWCCR-NSHDSACASA-N 2 2 293.371 -0.853 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001442907984 912123542 /nfs/dbraw/zinc/12/35/42/912123542.db2.gz SUJIARZPZGWCCR-NSHDSACASA-N 2 2 293.371 -0.853 20 0 CBADLP C[C@H]([NH2+]CCN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1)C(N)=O ZINC001443085202 912152205 /nfs/dbraw/zinc/15/22/05/912152205.db2.gz RICHLSWFKSEDSR-WDEREUQCSA-N 2 2 293.371 -0.633 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCC1(O)CC[NH+](C)CC1 ZINC001465430019 915053731 /nfs/dbraw/zinc/05/37/31/915053731.db2.gz JHDJMSLDERUYCC-UHFFFAOYSA-N 2 2 266.345 -0.166 20 0 CBADLP CC(C)C[NH2+][C@H](CO)CNC(=O)CCn1cc[nH+]c1 ZINC001507223356 921755733 /nfs/dbraw/zinc/75/57/33/921755733.db2.gz XWANZEISTJEZHV-LBPRGKRZSA-N 2 2 268.361 -0.004 20 0 CBADLP C[C@H]1CC[N@H+](CC(=O)NC[C@@H](CO)[NH2+]Cc2ccon2)C1 ZINC001507234335 921768835 /nfs/dbraw/zinc/76/88/35/921768835.db2.gz XIRCTHODWCTBDW-AAEUAGOBSA-N 2 2 296.371 -0.417 20 0 CBADLP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H](CO)[NH2+]Cc2ccon2)C1 ZINC001507234335 921768850 /nfs/dbraw/zinc/76/88/50/921768850.db2.gz XIRCTHODWCTBDW-AAEUAGOBSA-N 2 2 296.371 -0.417 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC[C@@H](CO)[NH2+]CC1CC1 ZINC001507251404 921782225 /nfs/dbraw/zinc/78/22/25/921782225.db2.gz DHBWYQAMCNQJSR-NSHDSACASA-N 2 2 266.345 -0.561 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)N1CC2(C1)CC[N@H+](CCO)C2 ZINC001472130020 915698127 /nfs/dbraw/zinc/69/81/27/915698127.db2.gz SLBJWVDWRABWEE-UHFFFAOYSA-N 2 2 292.383 -0.121 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)N1CC2(C1)CC[N@@H+](CCO)C2 ZINC001472130020 915698140 /nfs/dbraw/zinc/69/81/40/915698140.db2.gz SLBJWVDWRABWEE-UHFFFAOYSA-N 2 2 292.383 -0.121 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@H](CO)[NH2+]C/C=C/Cl ZINC001507268994 921797682 /nfs/dbraw/zinc/79/76/82/921797682.db2.gz WCQFLSNHYGZANM-TXXBHVLJSA-N 2 2 272.736 -0.298 20 0 CBADLP CC[C@@H](C)C[NH2+][C@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001507267375 921797828 /nfs/dbraw/zinc/79/78/28/921797828.db2.gz NVRLWNLMOCQGOV-NEPJUHHUSA-N 2 2 268.361 -0.004 20 0 CBADLP COC(=O)N1CCC([NH2+]CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001473963213 915876865 /nfs/dbraw/zinc/87/68/65/915876865.db2.gz OIIUMMSCDADLKP-UHFFFAOYSA-N 2 2 298.387 -0.419 20 0 CBADLP NC(=O)Cn1cc(C[NH2+]CCCNc2cccc[nH+]2)nn1 ZINC001474034987 915883054 /nfs/dbraw/zinc/88/30/54/915883054.db2.gz MMAFGSHJTBJDED-UHFFFAOYSA-N 2 2 289.343 -0.250 20 0 CBADLP CN(C[C@H]1CC[N@@H+]1CCO)C(=O)Cn1cc[nH+]c1 ZINC001479276619 916109531 /nfs/dbraw/zinc/10/95/31/916109531.db2.gz ZLILQSFHPCEJLO-LLVKDONJSA-N 2 2 252.318 -0.592 20 0 CBADLP CN(C[C@H]1CC[N@H+]1CCO)C(=O)Cn1cc[nH+]c1 ZINC001479276619 916109541 /nfs/dbraw/zinc/10/95/41/916109541.db2.gz ZLILQSFHPCEJLO-LLVKDONJSA-N 2 2 252.318 -0.592 20 0 CBADLP CNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001479330585 916119319 /nfs/dbraw/zinc/11/93/19/916119319.db2.gz VSDVUCMEGUNBQA-AOOOYVTPSA-N 2 2 279.344 -0.817 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+](C)CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001479804394 916183345 /nfs/dbraw/zinc/18/33/45/916183345.db2.gz GFHRNGDQAVSQBH-SNVBAGLBSA-N 2 2 281.360 -0.475 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+](C)CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001479804394 916183356 /nfs/dbraw/zinc/18/33/56/916183356.db2.gz GFHRNGDQAVSQBH-SNVBAGLBSA-N 2 2 281.360 -0.475 20 0 CBADLP C[C@@H](C(=O)N(C)C)[N@H+](C)CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001479804647 916184013 /nfs/dbraw/zinc/18/40/13/916184013.db2.gz KVSCNRSAJKKLCX-NSHDSACASA-N 2 2 295.387 -0.133 20 0 CBADLP C[C@@H](C(=O)N(C)C)[N@@H+](C)CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001479804647 916184027 /nfs/dbraw/zinc/18/40/27/916184027.db2.gz KVSCNRSAJKKLCX-NSHDSACASA-N 2 2 295.387 -0.133 20 0 CBADLP CC[N@H+](CCCNC(=O)Cn1cc[nH+]c1)[C@H](C)C(N)=O ZINC001479862676 916195442 /nfs/dbraw/zinc/19/54/42/916195442.db2.gz SEUOWXWPSJQAJF-LLVKDONJSA-N 2 2 281.360 -0.415 20 0 CBADLP CC[N@@H+](CCCNC(=O)Cn1cc[nH+]c1)[C@H](C)C(N)=O ZINC001479862676 916195451 /nfs/dbraw/zinc/19/54/51/916195451.db2.gz SEUOWXWPSJQAJF-LLVKDONJSA-N 2 2 281.360 -0.415 20 0 CBADLP CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001479955235 916234716 /nfs/dbraw/zinc/23/47/16/916234716.db2.gz OULYBJTYMQRGQP-GFCCVEGCSA-N 2 2 296.415 -0.251 20 0 CBADLP CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001479955235 916234736 /nfs/dbraw/zinc/23/47/36/916234736.db2.gz OULYBJTYMQRGQP-GFCCVEGCSA-N 2 2 296.415 -0.251 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@@H]([NH2+]CCO)C1CC1 ZINC001480067946 916275145 /nfs/dbraw/zinc/27/51/45/916275145.db2.gz CMYMVBALFTWMTN-LLVKDONJSA-N 2 2 252.318 -0.640 20 0 CBADLP CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001480150079 916307842 /nfs/dbraw/zinc/30/78/42/916307842.db2.gz XTANHNTWGJOPNE-XYPYZODXSA-N 2 2 293.371 -0.665 20 0 CBADLP C[C@@H](CC(=O)N[C@@H]1C[C@H]([NH2+][C@@H](C)C(N)=O)C1)n1cc[nH+]c1 ZINC001480226203 916338032 /nfs/dbraw/zinc/33/80/32/916338032.db2.gz NPQYHENFMZGZMC-FIQHERPVSA-N 2 2 293.371 -0.055 20 0 CBADLP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1)C(=O)N(C)C ZINC001480228957 916339273 /nfs/dbraw/zinc/33/92/73/916339273.db2.gz OCQSGWWVONVCJD-MXWKQRLJSA-N 2 2 293.371 -0.334 20 0 CBADLP NC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001480288999 916355100 /nfs/dbraw/zinc/35/51/00/916355100.db2.gz AZLZTVLTUDWTNU-LBPRGKRZSA-N 2 2 293.371 -0.413 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NC[C@@H](C)[NH2+]Cc1nnnn1C ZINC001480503860 916444933 /nfs/dbraw/zinc/44/49/33/916444933.db2.gz YQMPPQKGYDNETD-SECBINFHSA-N 2 2 292.347 -0.990 20 0 CBADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CCn1cccn1 ZINC001480542398 916465812 /nfs/dbraw/zinc/46/58/12/916465812.db2.gz LYKTUYSLEBCWFZ-NSHDSACASA-N 2 2 276.344 -0.057 20 0 CBADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CC(=O)NC(C)(C)C ZINC001480604753 916492414 /nfs/dbraw/zinc/49/24/14/916492414.db2.gz RQUAWOBRMBTUOS-LLVKDONJSA-N 2 2 295.387 -0.108 20 0 CBADLP O=C([C@H]1CCn2c[nH+]cc2C1)N1CC[C@H](C[NH2+]CCO)C1 ZINC001480650839 916510563 /nfs/dbraw/zinc/51/05/63/916510563.db2.gz GBGPDKKZVBRFLK-OLZOCXBDSA-N 2 2 292.383 -0.124 20 0 CBADLP C[C@@H](CCNC(=O)[C@H]1CCn2cc[nH+]c2C1)[NH2+]CCO ZINC001480774696 916536506 /nfs/dbraw/zinc/53/65/06/916536506.db2.gz NRZWKUDVLGKHRV-RYUDHWBXSA-N 2 2 280.372 -0.078 20 0 CBADLP C[C@H](CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)[NH2+]CCO ZINC001480774697 916537557 /nfs/dbraw/zinc/53/75/57/916537557.db2.gz NRZWKUDVLGKHRV-VXGBXAGGSA-N 2 2 280.372 -0.078 20 0 CBADLP CCN(CC)C(=O)C[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001480849353 916567139 /nfs/dbraw/zinc/56/71/39/916567139.db2.gz WVKSEUDIJUZQIX-ZDUSSCGKSA-N 2 2 298.431 -0.003 20 0 CBADLP CCN(CC)C(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001480849353 916567159 /nfs/dbraw/zinc/56/71/59/916567159.db2.gz WVKSEUDIJUZQIX-ZDUSSCGKSA-N 2 2 298.431 -0.003 20 0 CBADLP CCN(CC)C(=O)C[NH+](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001480849353 916567168 /nfs/dbraw/zinc/56/71/68/916567168.db2.gz WVKSEUDIJUZQIX-ZDUSSCGKSA-N 2 2 298.431 -0.003 20 0 CBADLP CCN(CC)C(=O)C[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001480849353 916567182 /nfs/dbraw/zinc/56/71/82/916567182.db2.gz WVKSEUDIJUZQIX-ZDUSSCGKSA-N 2 2 298.431 -0.003 20 0 CBADLP CCNC(=O)C[N@H+](C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001480886697 916604926 /nfs/dbraw/zinc/60/49/26/916604926.db2.gz ZPVBWXFYKAQDJF-UHFFFAOYSA-N 2 2 296.415 -0.201 20 0 CBADLP CCNC(=O)C[N@@H+](C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001480886697 916604932 /nfs/dbraw/zinc/60/49/32/916604932.db2.gz ZPVBWXFYKAQDJF-UHFFFAOYSA-N 2 2 296.415 -0.201 20 0 CBADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC[N@H+](C)CC(=O)N(C)C ZINC001480950879 916649808 /nfs/dbraw/zinc/64/98/08/916649808.db2.gz MAZRFWFZSKXUEW-CHWSQXEVSA-N 2 2 298.431 -0.005 20 0 CBADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC[N@@H+](C)CC(=O)N(C)C ZINC001480950879 916649813 /nfs/dbraw/zinc/64/98/13/916649813.db2.gz MAZRFWFZSKXUEW-CHWSQXEVSA-N 2 2 298.431 -0.005 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001481291075 916809276 /nfs/dbraw/zinc/80/92/76/916809276.db2.gz WBBKWDAUUZZHHC-WDEREUQCSA-N 2 2 295.387 -0.229 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001481291075 916809293 /nfs/dbraw/zinc/80/92/93/916809293.db2.gz WBBKWDAUUZZHHC-WDEREUQCSA-N 2 2 295.387 -0.229 20 0 CBADLP CCN(C(=O)C[NH+]1CC[C@@H](C)C1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001481773856 916978313 /nfs/dbraw/zinc/97/83/13/916978313.db2.gz DTPDJWHJDWYXCH-CHWSQXEVSA-N 2 2 296.415 -0.264 20 0 CBADLP CCN(C(=O)C[NH+]1CC[C@@H](C)C1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001481773856 916978322 /nfs/dbraw/zinc/97/83/22/916978322.db2.gz DTPDJWHJDWYXCH-CHWSQXEVSA-N 2 2 296.415 -0.264 20 0 CBADLP CCN(C(=O)C[N@@H+]1CC[C@@H](C)C1)[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001481773856 916978332 /nfs/dbraw/zinc/97/83/32/916978332.db2.gz DTPDJWHJDWYXCH-CHWSQXEVSA-N 2 2 296.415 -0.264 20 0 CBADLP CCN(C(=O)C[N@H+]1CC[C@@H](C)C1)[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001481773856 916978344 /nfs/dbraw/zinc/97/83/44/916978344.db2.gz DTPDJWHJDWYXCH-CHWSQXEVSA-N 2 2 296.415 -0.264 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)C[NH2+][C@@H]1CCNC1=O ZINC001482163701 917070051 /nfs/dbraw/zinc/07/00/51/917070051.db2.gz OCAFSGHUKVSVML-MWLCHTKSSA-N 2 2 293.371 -0.509 20 0 CBADLP C[C@H](O)C[NH2+]C[C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001482176464 917074506 /nfs/dbraw/zinc/07/45/06/917074506.db2.gz UNOZIAVAFNKHOO-MNOVXSKESA-N 2 2 254.334 -0.394 20 0 CBADLP CCN(C)C(=O)C[NH2+]C[C@@H](C)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001482346576 917134582 /nfs/dbraw/zinc/13/45/82/917134582.db2.gz FOOWNDVYDZBCNB-LLVKDONJSA-N 2 2 295.387 -0.133 20 0 CBADLP CCN(C)C(=O)C[NH2+]C[C@H](C)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001482346577 917135660 /nfs/dbraw/zinc/13/56/60/917135660.db2.gz FOOWNDVYDZBCNB-NSHDSACASA-N 2 2 295.387 -0.133 20 0 CBADLP NC(=O)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001482690260 917203647 /nfs/dbraw/zinc/20/36/47/917203647.db2.gz XZDOBVCWFIHGHM-MWLCHTKSSA-N 2 2 279.344 -0.688 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CC(N)=O ZINC001482695689 917204857 /nfs/dbraw/zinc/20/48/57/917204857.db2.gz TYOKJDVCDCFFOZ-WDEREUQCSA-N 2 2 293.371 -0.380 20 0 CBADLP CC[NH2+]C[C@@H](O)CNC(=O)CCc1c[nH+]cn1C ZINC001482795954 917287722 /nfs/dbraw/zinc/28/77/22/917287722.db2.gz XHBHTVIMICCMAW-LLVKDONJSA-N 2 2 254.334 -0.561 20 0 CBADLP C[C@@H](CC[NH2+]Cc1cnon1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001482822489 917303561 /nfs/dbraw/zinc/30/35/61/917303561.db2.gz VVKGXRLEUQGVDH-JQWIXIFHSA-N 2 2 297.359 -0.615 20 0 CBADLP C[C@@H](CC[NH2+]Cc1cnon1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001482822489 917303577 /nfs/dbraw/zinc/30/35/77/917303577.db2.gz VVKGXRLEUQGVDH-JQWIXIFHSA-N 2 2 297.359 -0.615 20 0 CBADLP CCN(CC[NH2+]CC(N)=O)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001482935955 917342644 /nfs/dbraw/zinc/34/26/44/917342644.db2.gz OUCCAMMTKBOVPJ-LLVKDONJSA-N 2 2 293.371 -0.631 20 0 CBADLP CCN(CC[NH2+][C@@H](C)C(N)=O)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001482963107 917351481 /nfs/dbraw/zinc/35/14/81/917351481.db2.gz GCOKFMXMRUBICR-JTQLQIEISA-N 2 2 295.387 -0.001 20 0 CBADLP CC[C@H](C(=O)NC/C=C/C[NH2+]Cc1nnnn1C)[NH+](C)C ZINC001483021352 917379834 /nfs/dbraw/zinc/37/98/34/917379834.db2.gz CSCAGLGFVVXTRL-XUIVZRPNSA-N 2 2 295.391 -0.688 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC/C=C\C[NH2+][C@H]1CCNC1=O ZINC001483065994 917396371 /nfs/dbraw/zinc/39/63/71/917396371.db2.gz YOQRKNXFKLRJJZ-BVBSBALXSA-N 2 2 277.328 -0.897 20 0 CBADLP C[C@@H](C[NH2+][C@H]1CCCNC1=O)NC(=O)CCc1c[nH]c[nH+]1 ZINC001483234086 917488025 /nfs/dbraw/zinc/48/80/25/917488025.db2.gz DQSNPBFHGMLOAP-JQWIXIFHSA-N 2 2 293.371 -0.285 20 0 CBADLP C[C@@H](C[NH2+][C@H]1CCCNC1=O)NC(=O)CCc1c[nH+]c[nH]1 ZINC001483234086 917488034 /nfs/dbraw/zinc/48/80/34/917488034.db2.gz DQSNPBFHGMLOAP-JQWIXIFHSA-N 2 2 293.371 -0.285 20 0 CBADLP COC[C@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001483700510 917640976 /nfs/dbraw/zinc/64/09/76/917640976.db2.gz CHRXCDOBDISCSA-CHWSQXEVSA-N 2 2 296.371 -0.611 20 0 CBADLP COC[C@H](O)C[N@H+]1CC[C@@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001483700510 917640985 /nfs/dbraw/zinc/64/09/85/917640985.db2.gz CHRXCDOBDISCSA-CHWSQXEVSA-N 2 2 296.371 -0.611 20 0 CBADLP CCC[N@H+](C)CC(=O)NC[C@H]1CC[NH+]1CCn1cncn1 ZINC001483694470 917641335 /nfs/dbraw/zinc/64/13/35/917641335.db2.gz ASESXKHLHPHKCH-CYBMUJFWSA-N 2 2 294.403 -0.190 20 0 CBADLP CCC[N@@H+](C)CC(=O)NC[C@H]1CC[NH+]1CCn1cncn1 ZINC001483694470 917641349 /nfs/dbraw/zinc/64/13/49/917641349.db2.gz ASESXKHLHPHKCH-CYBMUJFWSA-N 2 2 294.403 -0.190 20 0 CBADLP CCC[NH+](C)CC(=O)NC[C@H]1CC[N@@H+]1CCn1cncn1 ZINC001483694470 917641354 /nfs/dbraw/zinc/64/13/54/917641354.db2.gz ASESXKHLHPHKCH-CYBMUJFWSA-N 2 2 294.403 -0.190 20 0 CBADLP CCC[NH+](C)CC(=O)NC[C@H]1CC[N@H+]1CCn1cncn1 ZINC001483694470 917641363 /nfs/dbraw/zinc/64/13/63/917641363.db2.gz ASESXKHLHPHKCH-CYBMUJFWSA-N 2 2 294.403 -0.190 20 0 CBADLP NC(=O)C[NH2+]C1(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001483748510 917668586 /nfs/dbraw/zinc/66/85/86/917668586.db2.gz TYNQAXGGGJSKOJ-JTQLQIEISA-N 2 2 291.355 -0.831 20 0 CBADLP CC[C@@H](C(=O)N(C)C1C[NH+](CCOCCO)C1)[NH+](C)C ZINC001483887984 917701562 /nfs/dbraw/zinc/70/15/62/917701562.db2.gz ZKFSKAYJFOJFQB-ZDUSSCGKSA-N 2 2 287.404 -0.522 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]CCF)C1 ZINC001483924183 917703749 /nfs/dbraw/zinc/70/37/49/917703749.db2.gz GPJPUPFWDDVKCE-VXGBXAGGSA-N 2 2 273.352 -0.133 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]CCF)C1 ZINC001483924183 917703763 /nfs/dbraw/zinc/70/37/63/917703763.db2.gz GPJPUPFWDDVKCE-VXGBXAGGSA-N 2 2 273.352 -0.133 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NC[C@@]1(O)CC[N@H+](CCF)C1 ZINC001484229330 917778756 /nfs/dbraw/zinc/77/87/56/917778756.db2.gz HEMWQOJMZUYRSX-ZDUSSCGKSA-N 2 2 284.335 -0.286 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NC[C@@]1(O)CC[N@@H+](CCF)C1 ZINC001484229330 917778778 /nfs/dbraw/zinc/77/87/78/917778778.db2.gz HEMWQOJMZUYRSX-ZDUSSCGKSA-N 2 2 284.335 -0.286 20 0 CBADLP CC(C)C[NH+]1CC(O)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001484266677 917808983 /nfs/dbraw/zinc/80/89/83/917808983.db2.gz XMMGMIWNKDRJFW-LBPRGKRZSA-N 2 2 285.388 -0.864 20 0 CBADLP CC(C)C[NH+]1CC(O)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001484266677 917808999 /nfs/dbraw/zinc/80/89/99/917808999.db2.gz XMMGMIWNKDRJFW-LBPRGKRZSA-N 2 2 285.388 -0.864 20 0 CBADLP CC(C)[NH+]1CC(O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001484309793 917828932 /nfs/dbraw/zinc/82/89/32/917828932.db2.gz PBUCRHVIBQRELV-UHFFFAOYSA-N 2 2 255.362 -0.347 20 0 CBADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C[NH2+]CCCO ZINC001484385956 917835611 /nfs/dbraw/zinc/83/56/11/917835611.db2.gz SYVJLTJZNCDQJQ-OLZOCXBDSA-N 2 2 280.372 -0.050 20 0 CBADLP C[NH+](C)CCC(=O)NC[C@@H]1COCC[N@@H+]1CCCO ZINC001484600593 917895209 /nfs/dbraw/zinc/89/52/09/917895209.db2.gz HQVRQHPZANNROY-GFCCVEGCSA-N 2 2 273.377 -0.863 20 0 CBADLP C[NH+](C)CCC(=O)NC[C@@H]1COCC[N@H+]1CCCO ZINC001484600593 917895230 /nfs/dbraw/zinc/89/52/30/917895230.db2.gz HQVRQHPZANNROY-GFCCVEGCSA-N 2 2 273.377 -0.863 20 0 CBADLP C[C@@H]([NH2+]CCO)[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001485219935 918034232 /nfs/dbraw/zinc/03/42/32/918034232.db2.gz MCHBDXRQZNWEHG-MNOVXSKESA-N 2 2 268.361 -0.172 20 0 CBADLP CC(C)NC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001485234887 918038367 /nfs/dbraw/zinc/03/83/67/918038367.db2.gz OYEIHYNNECPFFM-RYUDHWBXSA-N 2 2 295.387 -0.110 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[N@H+](C)CCO ZINC001485351953 918086545 /nfs/dbraw/zinc/08/65/45/918086545.db2.gz IGGUCVSXLHFPDC-QJPTWQEYSA-N 2 2 280.372 -0.048 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[N@@H+](C)CCO ZINC001485351953 918086556 /nfs/dbraw/zinc/08/65/56/918086556.db2.gz IGGUCVSXLHFPDC-QJPTWQEYSA-N 2 2 280.372 -0.048 20 0 CBADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[N@H+](C)[C@@H]1CCNC1=O ZINC001485394455 918109856 /nfs/dbraw/zinc/10/98/56/918109856.db2.gz GNQGDQRGLYZHDC-GHMZBOCLSA-N 2 2 279.344 -0.792 20 0 CBADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[N@@H+](C)[C@@H]1CCNC1=O ZINC001485394455 918109870 /nfs/dbraw/zinc/10/98/70/918109870.db2.gz GNQGDQRGLYZHDC-GHMZBOCLSA-N 2 2 279.344 -0.792 20 0 CBADLP CCC[N@H+](C)CCC(=O)N[C@@H](C)C1C[NH+](CC(N)=O)C1 ZINC001485532015 918139724 /nfs/dbraw/zinc/13/97/24/918139724.db2.gz CADIGRUBRFCBEV-NSHDSACASA-N 2 2 284.404 -0.360 20 0 CBADLP CCC[N@@H+](C)CCC(=O)N[C@@H](C)C1C[NH+](CC(N)=O)C1 ZINC001485532015 918139738 /nfs/dbraw/zinc/13/97/38/918139738.db2.gz CADIGRUBRFCBEV-NSHDSACASA-N 2 2 284.404 -0.360 20 0 CBADLP CN(C(=O)Cc1[nH]cc[nH+]1)[C@H](C[NH2+]CCO)C1CC1 ZINC001485830827 918198196 /nfs/dbraw/zinc/19/81/96/918198196.db2.gz NWGOMLQKDIMGRS-LLVKDONJSA-N 2 2 266.345 -0.229 20 0 CBADLP C[C@@H]([NH2+]C[C@H](C1CC1)N(C)C(=O)Cc1[nH]cc[nH+]1)C(N)=O ZINC001485830193 918198349 /nfs/dbraw/zinc/19/83/49/918198349.db2.gz AUPYPTOOLDMGTH-MWLCHTKSSA-N 2 2 293.371 -0.347 20 0 CBADLP C[C@H](CN(C)C(=O)CCn1cc[nH+]c1)[NH2+]CC(N)=O ZINC001485906033 918223620 /nfs/dbraw/zinc/22/36/20/918223620.db2.gz MVVJCUZYSUQZJK-SNVBAGLBSA-N 2 2 267.333 -0.805 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@@H](C)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001485937455 918236685 /nfs/dbraw/zinc/23/66/85/918236685.db2.gz FZIRBDYWLHRPLB-UWVGGRQHSA-N 2 2 281.360 -0.477 20 0 CBADLP C[C@@H](CN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[NH2+]CC(N)=O ZINC001485934039 918237480 /nfs/dbraw/zinc/23/74/80/918237480.db2.gz ZUZFYHLLKFTLEQ-UWVGGRQHSA-N 2 2 281.360 -0.490 20 0 CBADLP C[C@@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+]CC(=O)NC1CC1 ZINC001485961970 918241851 /nfs/dbraw/zinc/24/18/51/918241851.db2.gz HSYBSZYTGRXCEP-NSHDSACASA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+][C@H]1CCN(C)C1=O ZINC001485963512 918243852 /nfs/dbraw/zinc/24/38/52/918243852.db2.gz RLLDRLLQZKMNNQ-RYUDHWBXSA-N 2 2 293.371 -0.450 20 0 CBADLP C[NH+](C)CCC(=O)NC[C@@H](CO)[NH2+]Cc1ccon1 ZINC001486031820 918322218 /nfs/dbraw/zinc/32/22/18/918322218.db2.gz WQUKRZULHTWVPS-NSHDSACASA-N 2 2 270.333 -0.807 20 0 CBADLP Cc1nc(C[NH2+][C@H](CO)CNC(=O)CC[NH+](C)C)co1 ZINC001486031033 918325502 /nfs/dbraw/zinc/32/55/02/918325502.db2.gz NZYJYAHSYUKLKB-NSHDSACASA-N 2 2 284.360 -0.499 20 0 CBADLP C[C@H]1[C@H]([NH2+]CCCO)CCN1C(=O)Cn1cc[nH+]c1 ZINC001486095524 918363235 /nfs/dbraw/zinc/36/32/35/918363235.db2.gz KATNIBCIOOATDC-NWDGAFQWSA-N 2 2 266.345 -0.156 20 0 CBADLP CNC(=O)C[NH2+][C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC1(C)C ZINC001486245737 918388665 /nfs/dbraw/zinc/38/86/65/918388665.db2.gz WIDDRJFRFGOEMM-NSHDSACASA-N 2 2 293.371 -0.475 20 0 CBADLP CN(C[C@@H](O)C[NH2+]CCF)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001486284253 918411598 /nfs/dbraw/zinc/41/15/98/918411598.db2.gz HTELPEVYTFHOAP-YPMHNXCESA-N 2 2 298.362 -0.176 20 0 CBADLP CN(C[C@H](O)C[NH2+]CCF)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001486287321 918412218 /nfs/dbraw/zinc/41/22/18/918412218.db2.gz YHNCAPSEVNXNEK-NWDGAFQWSA-N 2 2 298.362 -0.176 20 0 CBADLP CC[N@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001486361232 918449689 /nfs/dbraw/zinc/44/96/89/918449689.db2.gz SPHKRMNFXCVEJX-LLVKDONJSA-N 2 2 254.334 -0.346 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001486361232 918449704 /nfs/dbraw/zinc/44/97/04/918449704.db2.gz SPHKRMNFXCVEJX-LLVKDONJSA-N 2 2 254.334 -0.346 20 0 CBADLP CNC(=O)C[NH2+]C[C@H](NC(=O)Cc1[nH]cc[nH+]1)C(C)(C)C ZINC001486415001 918460408 /nfs/dbraw/zinc/46/04/08/918460408.db2.gz GTHOYHQXRPCQKT-JTQLQIEISA-N 2 2 295.387 -0.181 20 0 CBADLP CN(C(=O)CCn1cc[nH+]c1)C1CC([NH2+]CCO)C1 ZINC001486473336 918467177 /nfs/dbraw/zinc/46/71/77/918467177.db2.gz MIDDHFUFULSWSH-UHFFFAOYSA-N 2 2 266.345 -0.156 20 0 CBADLP CN(C(=O)Cc1[nH]cc[nH+]1)C1CC([NH2+]CCOCCO)C1 ZINC001486479489 918471225 /nfs/dbraw/zinc/47/12/25/918471225.db2.gz OPVBEHAJUJQIFO-UHFFFAOYSA-N 2 2 296.371 -0.460 20 0 CBADLP CN(C(=O)Cn1cc[nH+]c1)C1CC([NH2+]CCOCCO)C1 ZINC001486484996 918472752 /nfs/dbraw/zinc/47/27/52/918472752.db2.gz WLIKRXLZSVWROP-UHFFFAOYSA-N 2 2 296.371 -0.529 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CC[C@H]1CN(C)C(=O)CC[NH+](C)C ZINC001488651640 918745748 /nfs/dbraw/zinc/74/57/48/918745748.db2.gz ARVATMCFFXAGQW-MNOVXSKESA-N 2 2 270.377 -0.655 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CC[C@H]1CN(C)C(=O)CC[NH+](C)C ZINC001488651640 918745762 /nfs/dbraw/zinc/74/57/62/918745762.db2.gz ARVATMCFFXAGQW-MNOVXSKESA-N 2 2 270.377 -0.655 20 0 CBADLP CN(C[C@@H]1CC[N@@H+]1CCO)C(=O)Cc1c[nH+]c[nH]1 ZINC001488667530 918749679 /nfs/dbraw/zinc/74/96/79/918749679.db2.gz QDEHQZWUGKIOFT-NSHDSACASA-N 2 2 252.318 -0.523 20 0 CBADLP CN(C[C@@H]1CC[N@H+]1CCO)C(=O)Cc1c[nH+]c[nH]1 ZINC001488667530 918749695 /nfs/dbraw/zinc/74/96/95/918749695.db2.gz QDEHQZWUGKIOFT-NSHDSACASA-N 2 2 252.318 -0.523 20 0 CBADLP C[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001491024662 919006774 /nfs/dbraw/zinc/00/67/74/919006774.db2.gz MJADDPJYQGXSSS-ZMLRMANQSA-N 2 2 266.345 -0.040 20 0 CBADLP C[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001491024662 919006787 /nfs/dbraw/zinc/00/67/87/919006787.db2.gz MJADDPJYQGXSSS-ZMLRMANQSA-N 2 2 266.345 -0.040 20 0 CBADLP CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001491064582 919017885 /nfs/dbraw/zinc/01/78/85/919017885.db2.gz YCYYLCIVTZRMOV-GARJFASQSA-N 2 2 293.371 -0.429 20 0 CBADLP CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001491064582 919017898 /nfs/dbraw/zinc/01/78/98/919017898.db2.gz YCYYLCIVTZRMOV-GARJFASQSA-N 2 2 293.371 -0.429 20 0 CBADLP COCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001491244503 919091011 /nfs/dbraw/zinc/09/10/11/919091011.db2.gz MQPMBXJOSOPGFT-ZIAGYGMSSA-N 2 2 299.415 -0.066 20 0 CBADLP COCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001491244503 919091022 /nfs/dbraw/zinc/09/10/22/919091022.db2.gz MQPMBXJOSOPGFT-ZIAGYGMSSA-N 2 2 299.415 -0.066 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CCCC[C@H]1C[NH2+]CCO ZINC001491265352 919097964 /nfs/dbraw/zinc/09/79/64/919097964.db2.gz VIWJJNHFNSLMOI-LBPRGKRZSA-N 2 2 266.345 -0.085 20 0 CBADLP C[N@@H+]1CC[C@@H](CC(=O)NCCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001491472954 919173831 /nfs/dbraw/zinc/17/38/31/919173831.db2.gz SVERQHJXAJZVRZ-NSHDSACASA-N 2 2 293.371 -0.474 20 0 CBADLP C[N@H+]1CC[C@@H](CC(=O)NCCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001491472954 919173848 /nfs/dbraw/zinc/17/38/48/919173848.db2.gz SVERQHJXAJZVRZ-NSHDSACASA-N 2 2 293.371 -0.474 20 0 CBADLP CCNC(=O)C[NH2+][C@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001491543484 919198061 /nfs/dbraw/zinc/19/80/61/919198061.db2.gz RCHLLXJSWUHFJZ-LLVKDONJSA-N 2 2 281.360 -0.496 20 0 CBADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CC(=O)N1CCC1 ZINC001491624825 919234826 /nfs/dbraw/zinc/23/48/26/919234826.db2.gz OCGHFGIHWCQGDO-JTQLQIEISA-N 2 2 279.344 -0.721 20 0 CBADLP CC[C@@H]([NH2+][C@@H](C)CNC(=O)CCc1c[nH+]cn1C)C(N)=O ZINC001491656722 919243886 /nfs/dbraw/zinc/24/38/86/919243886.db2.gz KBPIELAPUNYGQY-CMPLNLGQSA-N 2 2 295.387 -0.289 20 0 CBADLP C[C@H](CCNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@H]1CCNC1=O ZINC001492091729 919321652 /nfs/dbraw/zinc/32/16/52/919321652.db2.gz XHYJVNBOCVDXHW-KOLCDFICSA-N 2 2 279.344 -0.675 20 0 CBADLP C[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)CC(=O)N1CCC1 ZINC001492215453 919352201 /nfs/dbraw/zinc/35/22/01/919352201.db2.gz VHKRRUOVIOGMIP-LBPRGKRZSA-N 2 2 282.388 -0.639 20 0 CBADLP C[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)CC(=O)N1CCC1 ZINC001492215453 919352219 /nfs/dbraw/zinc/35/22/19/919352219.db2.gz VHKRRUOVIOGMIP-LBPRGKRZSA-N 2 2 282.388 -0.639 20 0 CBADLP C[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)CC(=O)N1CCC1 ZINC001492215453 919352230 /nfs/dbraw/zinc/35/22/30/919352230.db2.gz VHKRRUOVIOGMIP-LBPRGKRZSA-N 2 2 282.388 -0.639 20 0 CBADLP C[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)CC(=O)N1CCC1 ZINC001492215453 919352244 /nfs/dbraw/zinc/35/22/44/919352244.db2.gz VHKRRUOVIOGMIP-LBPRGKRZSA-N 2 2 282.388 -0.639 20 0 CBADLP CC[N@H+](C)CCC(=O)NCC[NH+](C)CC(=O)N(C)C ZINC001492484571 919424569 /nfs/dbraw/zinc/42/45/69/919424569.db2.gz TXNPGSXKROVVSK-UHFFFAOYSA-N 2 2 272.393 -0.536 20 0 CBADLP CC[N@@H+](C)CCC(=O)NCC[NH+](C)CC(=O)N(C)C ZINC001492484571 919424578 /nfs/dbraw/zinc/42/45/78/919424578.db2.gz TXNPGSXKROVVSK-UHFFFAOYSA-N 2 2 272.393 -0.536 20 0 CBADLP CC[NH+](C)CCC(=O)NCC[N@H+](C)CC(=O)N(C)C ZINC001492484571 919424593 /nfs/dbraw/zinc/42/45/93/919424593.db2.gz TXNPGSXKROVVSK-UHFFFAOYSA-N 2 2 272.393 -0.536 20 0 CBADLP CC[NH+](C)CCC(=O)NCC[N@@H+](C)CC(=O)N(C)C ZINC001492484571 919424603 /nfs/dbraw/zinc/42/46/03/919424603.db2.gz TXNPGSXKROVVSK-UHFFFAOYSA-N 2 2 272.393 -0.536 20 0 CBADLP CCNC(=O)C[NH2+]CCN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001493725385 919612112 /nfs/dbraw/zinc/61/21/12/919612112.db2.gz KTDCMIQTODQSGZ-NSHDSACASA-N 2 2 295.387 -0.228 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N(C)CC[NH2+][C@@H](C)C(N)=O ZINC001493775160 919621263 /nfs/dbraw/zinc/62/12/63/919621263.db2.gz PZJXILLMEWZGBA-VIFPVBQESA-N 2 2 267.333 -0.818 20 0 CBADLP CCCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CC[N@H+](CCO)C1 ZINC001493948602 919635540 /nfs/dbraw/zinc/63/55/40/919635540.db2.gz ODMNNHRUVTXGFS-KBPBESRZSA-N 2 2 299.415 -0.378 20 0 CBADLP CCCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CC[N@@H+](CCO)C1 ZINC001493948602 919635546 /nfs/dbraw/zinc/63/55/46/919635546.db2.gz ODMNNHRUVTXGFS-KBPBESRZSA-N 2 2 299.415 -0.378 20 0 CBADLP CCCN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@H]1CC[NH+](CCO)C1 ZINC001493948602 919635562 /nfs/dbraw/zinc/63/55/62/919635562.db2.gz ODMNNHRUVTXGFS-KBPBESRZSA-N 2 2 299.415 -0.378 20 0 CBADLP CCCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@H]1CC[NH+](CCO)C1 ZINC001493948602 919635570 /nfs/dbraw/zinc/63/55/70/919635570.db2.gz ODMNNHRUVTXGFS-KBPBESRZSA-N 2 2 299.415 -0.378 20 0 CBADLP C[NH+](C)CCCC(=O)NCC1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001494584462 919741369 /nfs/dbraw/zinc/74/13/69/919741369.db2.gz HPSQDXRNEFPXHS-GFCCVEGCSA-N 2 2 282.388 -0.735 20 0 CBADLP CC(C)(C(=O)NCC1C[NH+](CC(N)=O)C1)[NH+]1CCCC1 ZINC001494575629 919742349 /nfs/dbraw/zinc/74/23/49/919742349.db2.gz ANBSPEUNJIPQHI-UHFFFAOYSA-N 2 2 282.388 -0.606 20 0 CBADLP CCN(C)C(=O)C[NH+]1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001494589815 919745820 /nfs/dbraw/zinc/74/58/20/919745820.db2.gz GXWXCVOTDHLECU-UHFFFAOYSA-N 2 2 284.404 -0.536 20 0 CBADLP CC(C)[C@@H](C(=O)N[C@H]1CC[N@@H+]([C@H](C)C(N)=O)C1)[NH+](C)C ZINC001494710321 919778029 /nfs/dbraw/zinc/77/80/29/919778029.db2.gz WIMNQMHEOBYIFD-WOPDTQHZSA-N 2 2 284.404 -0.363 20 0 CBADLP CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+]([C@H](C)C(N)=O)C1)[NH+](C)C ZINC001494710321 919778041 /nfs/dbraw/zinc/77/80/41/919778041.db2.gz WIMNQMHEOBYIFD-WOPDTQHZSA-N 2 2 284.404 -0.363 20 0 CBADLP CCN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@H+](CCO)C1 ZINC001494925702 919812952 /nfs/dbraw/zinc/81/29/52/919812952.db2.gz PKIFWGXTRPYFBW-GFCCVEGCSA-N 2 2 266.345 -0.202 20 0 CBADLP CCN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@@H+](CCO)C1 ZINC001494925702 919812967 /nfs/dbraw/zinc/81/29/67/919812967.db2.gz PKIFWGXTRPYFBW-GFCCVEGCSA-N 2 2 266.345 -0.202 20 0 CBADLP CC[C@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+]CC(N)=O ZINC001494995169 919836479 /nfs/dbraw/zinc/83/64/79/919836479.db2.gz QCUFQFZLPFNKMT-SECBINFHSA-N 2 2 267.333 -0.688 20 0 CBADLP CC[C@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH2+]CC(N)=O ZINC001494995169 919836488 /nfs/dbraw/zinc/83/64/88/919836488.db2.gz QCUFQFZLPFNKMT-SECBINFHSA-N 2 2 267.333 -0.688 20 0 CBADLP CC[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@@H]1CCN(C)C1=O ZINC001495078639 919856899 /nfs/dbraw/zinc/85/68/99/919856899.db2.gz BYSGGHKAEWCRKD-WDEREUQCSA-N 2 2 293.371 -0.333 20 0 CBADLP CC[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@H]1CCN(C)C1=O ZINC001495078637 919857640 /nfs/dbraw/zinc/85/76/40/919857640.db2.gz BYSGGHKAEWCRKD-MNOVXSKESA-N 2 2 293.371 -0.333 20 0 CBADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)C[NH2+][C@@H](C)C(N)=O ZINC001495786277 919941744 /nfs/dbraw/zinc/94/17/44/919941744.db2.gz PEZZOEZTSRFNLN-UWVGGRQHSA-N 2 2 281.360 -0.822 20 0 CBADLP CCC[N@@H+]1CCO[C@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001495875276 919975032 /nfs/dbraw/zinc/97/50/32/919975032.db2.gz WFVNVEKWQVWGRE-CQSZACIVSA-N 2 2 299.415 -0.064 20 0 CBADLP CCC[N@H+]1CCO[C@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001495875276 919975040 /nfs/dbraw/zinc/97/50/40/919975040.db2.gz WFVNVEKWQVWGRE-CQSZACIVSA-N 2 2 299.415 -0.064 20 0 CBADLP CC(C)[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CC(N)=O ZINC001496618744 920096640 /nfs/dbraw/zinc/09/66/40/920096640.db2.gz XRWYMYAUBDOSLB-VIFPVBQESA-N 2 2 267.333 -0.832 20 0 CBADLP CC(C)[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CCO ZINC001496643797 920101546 /nfs/dbraw/zinc/10/15/46/920101546.db2.gz WFPTUYFRMWEJBJ-LLVKDONJSA-N 2 2 254.334 -0.394 20 0 CBADLP CNC(=O)C[N@H+](C)CCN(C)C(=O)Cn1c[nH+]cc1C ZINC001496744925 920123173 /nfs/dbraw/zinc/12/31/73/920123173.db2.gz NDHZQTMMUQOVRE-UHFFFAOYSA-N 2 2 281.360 -0.672 20 0 CBADLP CNC(=O)C[N@@H+](C)CCN(C)C(=O)Cn1c[nH+]cc1C ZINC001496744925 920123181 /nfs/dbraw/zinc/12/31/81/920123181.db2.gz NDHZQTMMUQOVRE-UHFFFAOYSA-N 2 2 281.360 -0.672 20 0 CBADLP CC(C)[NH2+]C[C@H](O)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001497012641 920207090 /nfs/dbraw/zinc/20/70/90/920207090.db2.gz SKOZFRUFMGKZGR-RYUDHWBXSA-N 2 2 280.372 -0.079 20 0 CBADLP CCN(CC[NH2+]Cc1nnnn1C)C(=O)C[N@H+](C)C(C)C ZINC001497500793 920311636 /nfs/dbraw/zinc/31/16/36/920311636.db2.gz KUJRBZKYPKCLCR-UHFFFAOYSA-N 2 2 297.407 -0.512 20 0 CBADLP CCN(CC[NH2+]Cc1nnnn1C)C(=O)C[N@@H+](C)C(C)C ZINC001497500793 920311648 /nfs/dbraw/zinc/31/16/48/920311648.db2.gz KUJRBZKYPKCLCR-UHFFFAOYSA-N 2 2 297.407 -0.512 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]C/C=C\CNC(=O)CCn1cc[nH+]c1 ZINC001497644585 920357028 /nfs/dbraw/zinc/35/70/28/920357028.db2.gz NHCGXPURQPGXFZ-VSQXVHSFSA-N 2 2 293.371 -0.330 20 0 CBADLP CC[C@@H]([NH2+]C/C=C/CNC(=O)Cc1[nH]cc[nH+]1)C(N)=O ZINC001497716370 920375422 /nfs/dbraw/zinc/37/54/22/920375422.db2.gz XWZWCFOEZIVUIY-HMDXOVGESA-N 2 2 279.344 -0.522 20 0 CBADLP CC[C@H]([NH2+]C[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C)C(N)=O ZINC001497971365 920428654 /nfs/dbraw/zinc/42/86/54/920428654.db2.gz QVGDWYZYCNYOBO-SCZZXKLOSA-N 2 2 281.360 -0.381 20 0 CBADLP C[C@H](C[NH2+]Cc1nncn1C)NC(=O)Cn1cc[nH+]c1 ZINC001497997001 920437142 /nfs/dbraw/zinc/43/71/42/920437142.db2.gz DSGLIMZNSPVEOG-SNVBAGLBSA-N 2 2 277.332 -0.694 20 0 CBADLP CC[C@H]([NH2+]C[C@H](C)NC(=O)Cn1cc[nH+]c1)C(N)=O ZINC001498208090 920519890 /nfs/dbraw/zinc/51/98/90/920519890.db2.gz RKRYZTDFVLJSRL-UWVGGRQHSA-N 2 2 267.333 -0.759 20 0 CBADLP C[C@@H](C[NH2+]CCNC(=O)C1CC1)NC(=O)Cn1cc[nH+]c1 ZINC001498208187 920522286 /nfs/dbraw/zinc/52/22/86/920522286.db2.gz SUXUVADKIIXARU-NSHDSACASA-N 2 2 293.371 -0.496 20 0 CBADLP CN(CCC[NH2+]Cc1cnn(C)n1)C(=O)Cc1c[nH+]c[nH]1 ZINC001498618385 920619557 /nfs/dbraw/zinc/61/95/57/920619557.db2.gz BIXCNVANPWQGJT-UHFFFAOYSA-N 2 2 291.359 -0.281 20 0 CBADLP CNC(=O)C[NH2+]C[C@H](NC(=O)Cc1c[nH+]cn1C)C1CC1 ZINC001498851488 920646954 /nfs/dbraw/zinc/64/69/54/920646954.db2.gz YECSLFMLWNZYKW-LBPRGKRZSA-N 2 2 293.371 -0.807 20 0 CBADLP CC[C@@H]([NH2+]C[C@H](NC(=O)Cc1[nH]cc[nH+]1)C1CC1)C(N)=O ZINC001498845319 920647616 /nfs/dbraw/zinc/64/76/16/920647616.db2.gz JAQBZGWARZSDSI-MNOVXSKESA-N 2 2 293.371 -0.300 20 0 CBADLP COCC[N@@H+]1CC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001499138466 920706925 /nfs/dbraw/zinc/70/69/25/920706925.db2.gz UNFXTVYNUMMXNM-LLVKDONJSA-N 2 2 252.318 -0.280 20 0 CBADLP COCC[N@H+]1CC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001499138466 920706942 /nfs/dbraw/zinc/70/69/42/920706942.db2.gz UNFXTVYNUMMXNM-LLVKDONJSA-N 2 2 252.318 -0.280 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@@](C)(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001500282027 920826695 /nfs/dbraw/zinc/82/66/95/920826695.db2.gz YTKSFYDABRXMMP-IINYFYTJSA-N 2 2 293.371 -0.583 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CC[C@@](C)(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001500282027 920826703 /nfs/dbraw/zinc/82/67/03/920826703.db2.gz YTKSFYDABRXMMP-IINYFYTJSA-N 2 2 293.371 -0.583 20 0 CBADLP C[C@H](F)CC[NH+]1CC(O)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001500806271 920894479 /nfs/dbraw/zinc/89/44/79/920894479.db2.gz MFIORZCRWZEWIA-RYUDHWBXSA-N 2 2 287.379 -0.008 20 0 CBADLP C[C@H](F)CC[NH+]1CC(O)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001500806271 920894490 /nfs/dbraw/zinc/89/44/90/920894490.db2.gz MFIORZCRWZEWIA-RYUDHWBXSA-N 2 2 287.379 -0.008 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@]1(CO)CCC[N@H+](CCO)C1 ZINC001501360492 920976952 /nfs/dbraw/zinc/97/69/52/920976952.db2.gz YHEUKZBOOCHPSI-AWEZNQCLSA-N 2 2 296.371 -0.804 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@]1(CO)CCC[N@@H+](CCO)C1 ZINC001501360492 920976968 /nfs/dbraw/zinc/97/69/68/920976968.db2.gz YHEUKZBOOCHPSI-AWEZNQCLSA-N 2 2 296.371 -0.804 20 0 CBADLP CC(C)[NH+](C)CC(=O)NC[C@H]1COCC[N@H+]1C[C@H](C)O ZINC001501848199 921067635 /nfs/dbraw/zinc/06/76/35/921067635.db2.gz IRYIRIZVDMRMNL-STQMWFEESA-N 2 2 287.404 -0.476 20 0 CBADLP CC(C)[NH+](C)CC(=O)NC[C@H]1COCC[N@@H+]1C[C@H](C)O ZINC001501848199 921067650 /nfs/dbraw/zinc/06/76/50/921067650.db2.gz IRYIRIZVDMRMNL-STQMWFEESA-N 2 2 287.404 -0.476 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NC[C@H]1COCC[NH+]1C[C@H](C)O ZINC001501848199 921067664 /nfs/dbraw/zinc/06/76/64/921067664.db2.gz IRYIRIZVDMRMNL-STQMWFEESA-N 2 2 287.404 -0.476 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NC[C@H]1COCC[NH+]1C[C@H](C)O ZINC001501848199 921067679 /nfs/dbraw/zinc/06/76/79/921067679.db2.gz IRYIRIZVDMRMNL-STQMWFEESA-N 2 2 287.404 -0.476 20 0 CBADLP CCC[N@H+](C)CC(=O)N[C@H]1CCC[NH+](CC(N)=O)[C@H]1C ZINC001507383310 921818326 /nfs/dbraw/zinc/81/83/26/921818326.db2.gz IYIBEDSLJPVEBJ-RYUDHWBXSA-N 2 2 284.404 -0.217 20 0 CBADLP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[NH+](CC(N)=O)[C@H]1C ZINC001507383310 921818334 /nfs/dbraw/zinc/81/83/34/921818334.db2.gz IYIBEDSLJPVEBJ-RYUDHWBXSA-N 2 2 284.404 -0.217 20 0 CBADLP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@H+](CC(N)=O)[C@H]1C ZINC001507383310 921818343 /nfs/dbraw/zinc/81/83/43/921818343.db2.gz IYIBEDSLJPVEBJ-RYUDHWBXSA-N 2 2 284.404 -0.217 20 0 CBADLP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@@H+](CC(N)=O)[C@H]1C ZINC001507383310 921818346 /nfs/dbraw/zinc/81/83/46/921818346.db2.gz IYIBEDSLJPVEBJ-RYUDHWBXSA-N 2 2 284.404 -0.217 20 0 CBADLP C[C@H](O)C[NH2+]C[C@@H](O)CN(C)C(=O)CCc1c[nH+]cn1C ZINC001507553528 921869030 /nfs/dbraw/zinc/86/90/30/921869030.db2.gz VXBNGFGNHOPVCV-WCQYABFASA-N 2 2 298.387 -0.858 20 0 CBADLP C[C@@H](O)C[N@H+](C)C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001507742144 921901404 /nfs/dbraw/zinc/90/14/04/921901404.db2.gz KXYHYIHVSQLKMF-NEPJUHHUSA-N 2 2 284.360 -0.985 20 0 CBADLP C[C@@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001507742144 921901417 /nfs/dbraw/zinc/90/14/17/921901417.db2.gz KXYHYIHVSQLKMF-NEPJUHHUSA-N 2 2 284.360 -0.985 20 0 CBADLP C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1c1cc(N)[nH+]cn1 ZINC001515832719 922244464 /nfs/dbraw/zinc/24/44/64/922244464.db2.gz SQGVJACCAPSCAP-VHSXEESVSA-N 2 2 251.334 -0.050 20 0 CBADLP C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1c1cc(N)[nH+]cn1 ZINC001515832719 922244482 /nfs/dbraw/zinc/24/44/82/922244482.db2.gz SQGVJACCAPSCAP-VHSXEESVSA-N 2 2 251.334 -0.050 20 0 CBADLP [NH3+][C@H](CC(=O)NCC1([NH3+])CCOCC1)C(F)F ZINC001522170319 922400955 /nfs/dbraw/zinc/40/09/55/922400955.db2.gz FBPCMSJLURSEPB-SSDOTTSWSA-N 2 2 251.277 -0.407 20 0 CBADLP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)CNCC[NH3+] ZINC001522344380 922406734 /nfs/dbraw/zinc/40/67/34/922406734.db2.gz VPHZHCGKKVPVOL-ZDUSSCGKSA-N 2 2 262.357 -0.162 20 0 CBADLP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)CNCC[NH3+] ZINC001522344380 922406749 /nfs/dbraw/zinc/40/67/49/922406749.db2.gz VPHZHCGKKVPVOL-ZDUSSCGKSA-N 2 2 262.357 -0.162 20 0 CBADLP CC1(C)[C@H](C(=O)NCC[NH+]2CCC([NH3+])CC2)C[C@@H]1[NH3+] ZINC001522639078 922493646 /nfs/dbraw/zinc/49/36/46/922493646.db2.gz JGDWCKRQHXHSSL-RYUDHWBXSA-N 3 2 268.405 -0.101 20 0 CBADLP CC(C)(C)[C@H]([NH3+])C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001522640854 922493828 /nfs/dbraw/zinc/49/38/28/922493828.db2.gz VXWVTEKAUNAXGA-LLVKDONJSA-N 3 2 256.394 -0.101 20 0 CBADLP CC1(C)CN(C(=O)c2n[nH]c3c2C[NH2+]CC3)C[C@@H]1[NH3+] ZINC001522708404 922507856 /nfs/dbraw/zinc/50/78/56/922507856.db2.gz SDRYYAKUQUZWDY-JTQLQIEISA-N 2 2 263.345 -0.135 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)NCCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001522866101 922540602 /nfs/dbraw/zinc/54/06/02/922540602.db2.gz YNZIUKJVJDPKFC-NSHDSACASA-N 2 2 293.371 -0.331 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)NCCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001522866101 922540613 /nfs/dbraw/zinc/54/06/13/922540613.db2.gz YNZIUKJVJDPKFC-NSHDSACASA-N 2 2 293.371 -0.331 20 0 CBADLP C[NH2+]C[C@H](C)C(=O)N[C@@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC001524028540 922614025 /nfs/dbraw/zinc/61/40/25/922614025.db2.gz CFKFMTFTWWYTQB-SDDRHHMPSA-N 2 2 256.394 -0.408 20 0 CBADLP C[NH2+]C[C@H](C)C(=O)N[C@@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC001524028540 922614037 /nfs/dbraw/zinc/61/40/37/922614037.db2.gz CFKFMTFTWWYTQB-SDDRHHMPSA-N 2 2 256.394 -0.408 20 0 CBADLP CCC[N@H+](C)CC(=O)N1CC[NH+](CCCNC(C)=O)CC1 ZINC001524037640 922615155 /nfs/dbraw/zinc/61/51/55/922615155.db2.gz DSNYLVYFZCZCDR-UHFFFAOYSA-N 2 2 298.431 -0.001 20 0 CBADLP CCC[N@@H+](C)CC(=O)N1CC[NH+](CCCNC(C)=O)CC1 ZINC001524037640 922615162 /nfs/dbraw/zinc/61/51/62/922615162.db2.gz DSNYLVYFZCZCDR-UHFFFAOYSA-N 2 2 298.431 -0.001 20 0 CBADLP Cn1c[nH+]cc1C1CCN(C(=O)C2(O)C[NH2+]C2)CC1 ZINC001524247949 922627871 /nfs/dbraw/zinc/62/78/71/922627871.db2.gz HCIHHBYEPBFACG-UHFFFAOYSA-N 2 2 264.329 -0.540 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC001548554196 923374665 /nfs/dbraw/zinc/37/46/65/923374665.db2.gz SBVPJTJCJKHDRH-JSGCOSHPSA-N 2 2 285.388 -0.672 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC001548554196 923374677 /nfs/dbraw/zinc/37/46/77/923374677.db2.gz SBVPJTJCJKHDRH-JSGCOSHPSA-N 2 2 285.388 -0.672 20 0 CBADLP C[NH2+]C[C@@H](O)[C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001548550953 923375028 /nfs/dbraw/zinc/37/50/28/923375028.db2.gz YYKQTCPPSAVTIN-QWHCGFSZSA-N 2 2 292.383 -0.053 20 0 CBADLP CN1CC[NH2+]C[C@@H]1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC001548552604 923376971 /nfs/dbraw/zinc/37/69/71/923376971.db2.gz IAZYVJCLOUFRMO-GFCCVEGCSA-N 2 2 273.340 -0.146 20 0 CBADLP CN1CC[NH2+]C[C@H]1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC001548552605 923377010 /nfs/dbraw/zinc/37/70/10/923377010.db2.gz IAZYVJCLOUFRMO-LBPRGKRZSA-N 2 2 273.340 -0.146 20 0 CBADLP O=C(N1CC[NH+]([C@@H]2CCOC2)CC1)[C@]12C[NH2+]C[C@H]1CCO2 ZINC001548570380 923395129 /nfs/dbraw/zinc/39/51/29/923395129.db2.gz XLJOGTLKIAOVMJ-NFAWXSAZSA-N 2 2 295.383 -0.702 20 0 CBADLP O=C(N[C@H]1C[NH2+]C[C@H]1O)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC001548572852 923398206 /nfs/dbraw/zinc/39/82/06/923398206.db2.gz QMUVYOPMGLJLIH-BFHYXJOUSA-N 2 2 290.367 -0.505 20 0 CBADLP O=C(N[C@H]1C[NH2+]C[C@H]1O)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC001548572852 923398212 /nfs/dbraw/zinc/39/82/12/923398212.db2.gz QMUVYOPMGLJLIH-BFHYXJOUSA-N 2 2 290.367 -0.505 20 0 CBADLP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCCc1c[nH+]cn1C ZINC001548683258 923447190 /nfs/dbraw/zinc/44/71/90/923447190.db2.gz UWVJWUBDXHHSBU-WCQYABFASA-N 2 2 277.372 -0.533 20 0 CBADLP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCCc1c[nH+]cn1C ZINC001548683258 923447201 /nfs/dbraw/zinc/44/72/01/923447201.db2.gz UWVJWUBDXHHSBU-WCQYABFASA-N 2 2 277.372 -0.533 20 0 CBADLP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001548715096 923469562 /nfs/dbraw/zinc/46/95/62/923469562.db2.gz JPVIIYOERUYCCM-HKUMRIAESA-N 2 2 289.383 -0.220 20 0 CBADLP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001548715096 923469570 /nfs/dbraw/zinc/46/95/70/923469570.db2.gz JPVIIYOERUYCCM-HKUMRIAESA-N 2 2 289.383 -0.220 20 0 CBADLP [NH3+]C[C@@]12CCC[C@@H]1C[N@H+](CC(=O)N1CCNC(=O)C1)C2 ZINC001549113274 923557086 /nfs/dbraw/zinc/55/70/86/923557086.db2.gz HWMXVRIRTGGUOZ-BXUZGUMPSA-N 2 2 280.372 -0.994 20 0 CBADLP [NH3+]C[C@@]12CCC[C@@H]1C[N@@H+](CC(=O)N1CCNC(=O)C1)C2 ZINC001549113274 923557099 /nfs/dbraw/zinc/55/70/99/923557099.db2.gz HWMXVRIRTGGUOZ-BXUZGUMPSA-N 2 2 280.372 -0.994 20 0 CBADLP Cn1cc(O[C@H]2C[N@H+](CCc3c[nH+]cn3C)C[C@@H]2O)cn1 ZINC001549599959 923610174 /nfs/dbraw/zinc/61/01/74/923610174.db2.gz YYIXBJYUWFKUMZ-KBPBESRZSA-N 2 2 291.355 -0.180 20 0 CBADLP Cn1cc(O[C@H]2C[N@@H+](CCc3c[nH+]cn3C)C[C@@H]2O)cn1 ZINC001549599959 923610183 /nfs/dbraw/zinc/61/01/83/923610183.db2.gz YYIXBJYUWFKUMZ-KBPBESRZSA-N 2 2 291.355 -0.180 20 0 CBADLP C[NH+](C)[C@@H]1CN(CC[NH+]2CCOCC2)C[C@H]1n1ccnn1 ZINC001549604623 923615707 /nfs/dbraw/zinc/61/57/07/923615707.db2.gz CSQBEUNXKJMTAS-ZIAGYGMSSA-N 2 2 294.403 -0.603 20 0 CBADLP CCOc1nc(N2CC[C@H](N3CC[NH2+]CC3)C2)cc(N)[nH+]1 ZINC001549910537 923646873 /nfs/dbraw/zinc/64/68/73/923646873.db2.gz LWPIREYOHYYSRI-NSHDSACASA-N 2 2 292.387 -0.059 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC001550238240 923713373 /nfs/dbraw/zinc/71/33/73/923713373.db2.gz ZDIHPMLFXNZWHB-HNNXBMFYSA-N 2 2 294.399 -0.590 20 0 CBADLP CC(C)(C)[NH2+]CC(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001550401184 923727543 /nfs/dbraw/zinc/72/75/43/923727543.db2.gz BMRBMUBZPHVPPJ-UHFFFAOYSA-N 2 2 285.388 -0.061 20 0 CBADLP CC(C)(C)[NH2+]CC(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001550401184 923727550 /nfs/dbraw/zinc/72/75/50/923727550.db2.gz BMRBMUBZPHVPPJ-UHFFFAOYSA-N 2 2 285.388 -0.061 20 0 CBADLP C[N@@H+]1CCO[C@@H](CNC(=O)NC2CC3(C[C@H]3[NH3+])C2)C1 ZINC001551590468 923807355 /nfs/dbraw/zinc/80/73/55/923807355.db2.gz OQEKRAKICQWWLO-PCQVFGIUSA-N 2 2 268.361 -0.504 20 0 CBADLP C[N@H+]1CCO[C@@H](CNC(=O)NC2CC3(C[C@H]3[NH3+])C2)C1 ZINC001551590468 923807365 /nfs/dbraw/zinc/80/73/65/923807365.db2.gz OQEKRAKICQWWLO-PCQVFGIUSA-N 2 2 268.361 -0.504 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001552167844 923844396 /nfs/dbraw/zinc/84/43/96/923844396.db2.gz TVOXXFHWSQONPI-GHMZBOCLSA-N 2 2 289.343 -0.173 20 0 CBADLP O=C(NCCc1[nH]cc[nH+]1)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001552167439 923845654 /nfs/dbraw/zinc/84/56/54/923845654.db2.gz MPIZLBGKDWTTKG-VIFPVBQESA-N 2 2 275.316 -0.492 20 0 CBADLP CC(C)(CNC(=O)[C@]12C[NH2+]C[C@@H]1COC2)[NH+]1CCOCC1 ZINC001552199830 923855747 /nfs/dbraw/zinc/85/57/47/923855747.db2.gz KRGAXANBXFGHEK-DOMZBBRYSA-N 2 2 297.399 -0.551 20 0 CBADLP O=C(NCCn1cc[nH+]c1)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552199465 923856116 /nfs/dbraw/zinc/85/61/16/923856116.db2.gz FVRDPZFPLYLGEY-ZYHUDNBSSA-N 2 2 250.302 -0.765 20 0 CBADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NC1CC([NH3+])C1 ZINC001552344944 923887476 /nfs/dbraw/zinc/88/74/76/923887476.db2.gz JZAUAVCLFGGNKB-WTIISPKJSA-N 2 2 282.388 -0.019 20 0 CBADLP O=C([C@H]1CCCC[NH2+]C1)N1CC[NH+](CCO)CC1 ZINC001552426071 923902656 /nfs/dbraw/zinc/90/26/56/923902656.db2.gz GCVCSHQGGGKISG-LBPRGKRZSA-N 2 2 255.362 -0.487 20 0 CBADLP C[NH+](C)CCNC(=O)[C@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001553051383 923940723 /nfs/dbraw/zinc/94/07/23/923940723.db2.gz OMJGJQXXATVUGB-CHWSQXEVSA-N 2 2 285.388 -0.456 20 0 CBADLP [NH3+]CCCNC(=O)[C@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001553350225 923952597 /nfs/dbraw/zinc/95/25/97/923952597.db2.gz SYSNHJQNNUMESG-VXGBXAGGSA-N 2 2 271.361 -0.669 20 0 CBADLP [NH3+][C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C[NH+]3CCOCC3)O2)C1 ZINC001553347336 923954281 /nfs/dbraw/zinc/95/42/81/923954281.db2.gz DTYIFKYJAMMJEM-FRRDWIJNSA-N 2 2 283.372 -0.574 20 0 CBADLP C[C@H]([NH3+])CCNC(=O)[C@@H]1CC[C@@H](C[NH+]2CCOCC2)O1 ZINC001553352147 923957010 /nfs/dbraw/zinc/95/70/10/923957010.db2.gz CDHZRRWSWFXBNC-AVGNSLFASA-N 2 2 285.388 -0.280 20 0 CBADLP [NH3+]C[C@@H]1CCN(C(=O)[C@@H]2CC[C@@H](C[NH+]3CCOCC3)O2)C1 ZINC001553358149 923961537 /nfs/dbraw/zinc/96/15/37/923961537.db2.gz YFOIKXVDOBTJFM-IHRRRGAJSA-N 2 2 297.399 -0.327 20 0 CBADLP O=C(NC[C@@H]1CCC[NH2+]1)[C@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001553358113 923962603 /nfs/dbraw/zinc/96/26/03/923962603.db2.gz YDAYTKWOYMMRRG-BFHYXJOUSA-N 2 2 297.399 -0.266 20 0 CBADLP [NH3+]C[C@H](NC(=O)[C@H]1CC[C@@H](C[NH+]2CCOCC2)O1)C1CC1 ZINC001553360156 923966209 /nfs/dbraw/zinc/96/62/09/923966209.db2.gz ZEZCXJMUXDLWFF-MELADBBJSA-N 2 2 297.399 -0.280 20 0 CBADLP CC1(C)C[N@H+](CCNC(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)CCO1 ZINC001553406066 923977814 /nfs/dbraw/zinc/97/78/14/923977814.db2.gz DHNKCVGAGHUITM-AGIUHOORSA-N 2 2 297.399 -0.267 20 0 CBADLP CC1(C)C[N@@H+](CCNC(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)CCO1 ZINC001553406066 923977827 /nfs/dbraw/zinc/97/78/27/923977827.db2.gz DHNKCVGAGHUITM-AGIUHOORSA-N 2 2 297.399 -0.267 20 0 CBADLP O=C([C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC001553406177 923981461 /nfs/dbraw/zinc/98/14/61/923981461.db2.gz DJWQMIMBJHEVRV-CRWXNKLISA-N 2 2 295.383 -0.561 20 0 CBADLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1 ZINC001553412329 923987824 /nfs/dbraw/zinc/98/78/24/923987824.db2.gz ODRAONGQSIWUSL-AGIUHOORSA-N 2 2 297.399 -0.267 20 0 CBADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1 ZINC001553412329 923987833 /nfs/dbraw/zinc/98/78/33/923987833.db2.gz ODRAONGQSIWUSL-AGIUHOORSA-N 2 2 297.399 -0.267 20 0 CBADLP Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1 ZINC001553414026 923987851 /nfs/dbraw/zinc/98/78/51/923987851.db2.gz WSOJRKMHTJAPGO-YWVKMMECSA-N 2 2 250.302 -0.146 20 0 CBADLP O=C(NCCn1cc[nH+]c1)N[C@@H]1C[NH2+]CC12CCOCC2 ZINC001553415240 923991077 /nfs/dbraw/zinc/99/10/77/923991077.db2.gz HQABMURYQUOZBR-GFCCVEGCSA-N 2 2 293.371 -0.049 20 0 CBADLP C[C@H]([C@H](C)NC(=O)[C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1)[NH+]1CCOCC1 ZINC001553419118 923991526 /nfs/dbraw/zinc/99/15/26/923991526.db2.gz ZCRFPGBFODACPV-NDKCEZKHSA-N 2 2 297.399 -0.269 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)[C@H](C)CO1 ZINC001553424544 923992372 /nfs/dbraw/zinc/99/23/72/923992372.db2.gz PQDBGWUECRRMBM-POQQGIQPSA-N 2 2 297.399 -0.269 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)[C@H](C)CO1 ZINC001553424544 923992389 /nfs/dbraw/zinc/99/23/89/923992389.db2.gz PQDBGWUECRRMBM-POQQGIQPSA-N 2 2 297.399 -0.269 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)[C@@H](C)CO1 ZINC001553424547 923994003 /nfs/dbraw/zinc/99/40/03/923994003.db2.gz PQDBGWUECRRMBM-ZSLBOAEBSA-N 2 2 297.399 -0.269 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)[C@@H](C)CO1 ZINC001553424547 923994011 /nfs/dbraw/zinc/99/40/11/923994011.db2.gz PQDBGWUECRRMBM-ZSLBOAEBSA-N 2 2 297.399 -0.269 20 0 CBADLP C[C@H](Cc1[nH+]ccn1C)NC(=O)[C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1 ZINC001553427980 923995529 /nfs/dbraw/zinc/99/55/29/923995529.db2.gz KMWCBKKGFAYAAG-WYUUTHIRSA-N 2 2 278.356 -0.013 20 0 CBADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1C[C@H]2OCC[C@H]2[NH2+]1 ZINC001553428248 923996292 /nfs/dbraw/zinc/99/62/92/923996292.db2.gz GPAUDWUEHIDEMI-YIYPIFLZSA-N 2 2 297.399 -0.267 20 0 CBADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1C[C@H]2OCC[C@H]2[NH2+]1 ZINC001553428248 923996302 /nfs/dbraw/zinc/99/63/02/923996302.db2.gz GPAUDWUEHIDEMI-YIYPIFLZSA-N 2 2 297.399 -0.267 20 0 CBADLP C[C@H]([C@H](C)NC(=O)N1C[C@@H]2[C@@H](C[NH3+])[C@@H]2C1)[NH+]1CCOCC1 ZINC001553443337 924000671 /nfs/dbraw/zinc/00/06/71/924000671.db2.gz HNHDYRFOCIUWKM-ZUWCUPBKSA-N 2 2 296.415 -0.058 20 0 CBADLP C[N@@H+]1CCO[C@H](CNC(=O)N[C@]23CCC[C@@H]2C[NH2+]C3)C1 ZINC001553444834 924001139 /nfs/dbraw/zinc/00/11/39/924001139.db2.gz NAXTXCXEBDBNAX-BZPMIXESSA-N 2 2 282.388 -0.242 20 0 CBADLP C[N@H+]1CCO[C@H](CNC(=O)N[C@]23CCC[C@@H]2C[NH2+]C3)C1 ZINC001553444834 924001155 /nfs/dbraw/zinc/00/11/55/924001155.db2.gz NAXTXCXEBDBNAX-BZPMIXESSA-N 2 2 282.388 -0.242 20 0 CBADLP CC1(C)COCC[N@@H+]1CCNC(=O)N1C[C@@H]2[C@@H](C[NH3+])[C@@H]2C1 ZINC001553452324 924003098 /nfs/dbraw/zinc/00/30/98/924003098.db2.gz UUQCPHAQGWHOBA-XYYAHUGASA-N 2 2 296.415 -0.057 20 0 CBADLP CC1(C)COCC[N@H+]1CCNC(=O)N1C[C@@H]2[C@@H](C[NH3+])[C@@H]2C1 ZINC001553452324 924003107 /nfs/dbraw/zinc/00/31/07/924003107.db2.gz UUQCPHAQGWHOBA-XYYAHUGASA-N 2 2 296.415 -0.057 20 0 CBADLP C[N@@H+]1CCO[C@H](CNC(=O)N2CCC[C@@]23CC[NH2+]C3)C1 ZINC001553441126 924003285 /nfs/dbraw/zinc/00/32/85/924003285.db2.gz BSLUSNMDOQJTCZ-OCCSQVGLSA-N 2 2 282.388 -0.146 20 0 CBADLP C[N@H+]1CCO[C@H](CNC(=O)N2CCC[C@@]23CC[NH2+]C3)C1 ZINC001553441126 924003295 /nfs/dbraw/zinc/00/32/95/924003295.db2.gz BSLUSNMDOQJTCZ-OCCSQVGLSA-N 2 2 282.388 -0.146 20 0 CBADLP [NH3+][C@H]1CN(C(=O)NCC[NH+]2CCC([NH3+])CC2)CC12CCC2 ZINC001553531164 924025989 /nfs/dbraw/zinc/02/59/89/924025989.db2.gz SOMXRVFYSQWNKS-ZDUSSCGKSA-N 3 2 295.431 -0.068 20 0 CBADLP C[N@@H+]1C[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC001558502512 924176714 /nfs/dbraw/zinc/17/67/14/924176714.db2.gz GHXCQCXQYKMADU-MNOVXSKESA-N 2 2 255.362 -0.227 20 0 CBADLP C[N@H+]1C[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC001558502512 924176729 /nfs/dbraw/zinc/17/67/29/924176729.db2.gz GHXCQCXQYKMADU-MNOVXSKESA-N 2 2 255.362 -0.227 20 0 CBADLP C[NH+]1C[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C(C)(C)C1 ZINC001558502512 924176742 /nfs/dbraw/zinc/17/67/42/924176742.db2.gz GHXCQCXQYKMADU-MNOVXSKESA-N 2 2 255.362 -0.227 20 0 CBADLP C[NH+]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C(C)(C)C1 ZINC001558502512 924176753 /nfs/dbraw/zinc/17/67/53/924176753.db2.gz GHXCQCXQYKMADU-MNOVXSKESA-N 2 2 255.362 -0.227 20 0 CBADLP Cn1ncc(C[NH2+]CCC(=O)N2CC[NH+](C)CC2)n1 ZINC000293580348 230216511 /nfs/dbraw/zinc/21/65/11/230216511.db2.gz NPVSKZHEKUGNBO-UHFFFAOYSA-N 2 2 266.349 -0.931 20 0 CBADLP C[NH+](C)CC(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000351677848 230233673 /nfs/dbraw/zinc/23/36/73/230233673.db2.gz YLPWIDFVGPYAPJ-CYBMUJFWSA-N 2 2 285.388 -0.502 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCCC[C@@H]2C[NH3+])CC1 ZINC000420293965 290010529 /nfs/dbraw/zinc/01/05/29/290010529.db2.gz NWSGVFSPEBEORY-CYBMUJFWSA-N 3 2 268.405 -0.036 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCCC[C@@H]2C[NH3+])CC1 ZINC000420293965 290010533 /nfs/dbraw/zinc/01/05/33/290010533.db2.gz NWSGVFSPEBEORY-CYBMUJFWSA-N 3 2 268.405 -0.036 20 0 CBADLP C[NH+]1CCN(C(=O)CCN2CCCC[C@@H]2C[NH3+])CC1 ZINC000420293965 290010537 /nfs/dbraw/zinc/01/05/37/290010537.db2.gz NWSGVFSPEBEORY-CYBMUJFWSA-N 2 2 268.405 -0.036 20 0 CBADLP C[NH+](C)C[C@@](C)(O)CNC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000360488926 282129834 /nfs/dbraw/zinc/12/98/34/282129834.db2.gz FHBBXTQZIKVRRB-YGRLFVJLSA-N 2 2 295.387 -0.121 20 0 CBADLP C[NH+](C)C[C@@](C)(O)CNC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000360488926 282129837 /nfs/dbraw/zinc/12/98/37/282129837.db2.gz FHBBXTQZIKVRRB-YGRLFVJLSA-N 2 2 295.387 -0.121 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000337972388 214337983 /nfs/dbraw/zinc/33/79/83/214337983.db2.gz CFJKCHDYTBYUBM-NWDGAFQWSA-N 2 2 255.362 -0.394 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H](O)C2)CC1 ZINC000337972388 214337984 /nfs/dbraw/zinc/33/79/84/214337984.db2.gz CFJKCHDYTBYUBM-NWDGAFQWSA-N 2 2 255.362 -0.394 20 0 CBADLP C[C@H](C(=O)NCC(F)(F)C[NH3+])N1CC[NH+](C)CC1 ZINC000573371609 334932325 /nfs/dbraw/zinc/93/23/25/334932325.db2.gz ZHSCQNYFEHZQEP-SECBINFHSA-N 2 2 264.320 -0.668 20 0 CBADLP O=C([C@@H]1CCC[N@@H+]1C1CC1)N1CC[NH+](CCO)CC1 ZINC000494201459 230350824 /nfs/dbraw/zinc/35/08/24/230350824.db2.gz MOSKGSBQBHYTRL-ZDUSSCGKSA-N 2 2 267.373 -0.250 20 0 CBADLP O=C([C@@H]1CCC[N@H+]1C1CC1)N1CC[NH+](CCO)CC1 ZINC000494201459 230350829 /nfs/dbraw/zinc/35/08/29/230350829.db2.gz MOSKGSBQBHYTRL-ZDUSSCGKSA-N 2 2 267.373 -0.250 20 0 CBADLP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCCCn1cc[nH+]c1 ZINC000126093690 187215849 /nfs/dbraw/zinc/21/58/49/187215849.db2.gz OONMRLCIAJAWRP-LBPRGKRZSA-N 2 2 281.360 -0.511 20 0 CBADLP C[C@@H]1CC[NH2+][C@H](C(=O)N2CC[NH+](CCO)CC2)C1 ZINC000126115747 187217862 /nfs/dbraw/zinc/21/78/62/187217862.db2.gz KUCPOWLJCYQAJO-NEPJUHHUSA-N 2 2 255.362 -0.489 20 0 CBADLP O=C(N[C@H]1CC[NH2+]C1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000333677237 303972352 /nfs/dbraw/zinc/97/23/52/303972352.db2.gz OFPUHSAIECRJID-STQMWFEESA-N 2 2 282.388 -0.146 20 0 CBADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000351390053 219095455 /nfs/dbraw/zinc/09/54/55/219095455.db2.gz UVJAQXZWADOWEN-STQMWFEESA-N 2 2 269.389 -0.006 20 0 CBADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000351390053 219095457 /nfs/dbraw/zinc/09/54/57/219095457.db2.gz UVJAQXZWADOWEN-STQMWFEESA-N 2 2 269.389 -0.006 20 0 CBADLP CN(C)C(=O)[C@@H]1CCC[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351390053 219095458 /nfs/dbraw/zinc/09/54/58/219095458.db2.gz UVJAQXZWADOWEN-STQMWFEESA-N 2 2 269.389 -0.006 20 0 CBADLP CN(C)C(=O)[C@@H]1CCC[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351390053 219095461 /nfs/dbraw/zinc/09/54/61/219095461.db2.gz UVJAQXZWADOWEN-STQMWFEESA-N 2 2 269.389 -0.006 20 0 CBADLP CNC(=O)[C@H]1CCC[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000351448027 219097534 /nfs/dbraw/zinc/09/75/34/219097534.db2.gz WDMZZALSUSUPKT-VXGBXAGGSA-N 2 2 255.362 -0.348 20 0 CBADLP CNC(=O)[C@H]1CCC[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000351448027 219097537 /nfs/dbraw/zinc/09/75/37/219097537.db2.gz WDMZZALSUSUPKT-VXGBXAGGSA-N 2 2 255.362 -0.348 20 0 CBADLP CNC(=O)[C@H]1CCC[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000351448027 219097538 /nfs/dbraw/zinc/09/75/38/219097538.db2.gz WDMZZALSUSUPKT-VXGBXAGGSA-N 2 2 255.362 -0.348 20 0 CBADLP CNC(=O)[C@H]1CCC[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351448027 219097540 /nfs/dbraw/zinc/09/75/40/219097540.db2.gz WDMZZALSUSUPKT-VXGBXAGGSA-N 2 2 255.362 -0.348 20 0 CBADLP CC[N@@H+]1CCOC[C@H]1C(=O)N1CCC([NH+](C)CCO)CC1 ZINC000351485928 219102483 /nfs/dbraw/zinc/10/24/83/219102483.db2.gz URXJVYKBVAXWTG-AWEZNQCLSA-N 2 2 299.415 -0.378 20 0 CBADLP CC[N@H+]1CCOC[C@H]1C(=O)N1CCC([NH+](C)CCO)CC1 ZINC000351485928 219102485 /nfs/dbraw/zinc/10/24/85/219102485.db2.gz URXJVYKBVAXWTG-AWEZNQCLSA-N 2 2 299.415 -0.378 20 0 CBADLP CC[NH+]1CCOC[C@H]1C(=O)N1CCC([N@H+](C)CCO)CC1 ZINC000351485928 219102487 /nfs/dbraw/zinc/10/24/87/219102487.db2.gz URXJVYKBVAXWTG-AWEZNQCLSA-N 2 2 299.415 -0.378 20 0 CBADLP CC[NH+]1CCOC[C@H]1C(=O)N1CCC([N@@H+](C)CCO)CC1 ZINC000351485928 219102488 /nfs/dbraw/zinc/10/24/88/219102488.db2.gz URXJVYKBVAXWTG-AWEZNQCLSA-N 2 2 299.415 -0.378 20 0 CBADLP Cc1c[nH+]ccc1NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351525112 219116717 /nfs/dbraw/zinc/11/67/17/219116717.db2.gz SWXCELXZVVGTFB-LLVKDONJSA-N 2 2 262.313 -0.381 20 0 CBADLP C[C@H](C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1)[NH+]1CCOCC1 ZINC000351534548 219117079 /nfs/dbraw/zinc/11/70/79/219117079.db2.gz DAVRXHWSXCLIEB-XQHKEYJVSA-N 2 2 267.373 -0.097 20 0 CBADLP C[C@@H](CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)Cn1cc[nH+]c1 ZINC000351537387 219119321 /nfs/dbraw/zinc/11/93/21/219119321.db2.gz IXRAWXBKHVLTNJ-RYUDHWBXSA-N 2 2 293.371 -0.496 20 0 CBADLP CNC(=O)[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)C(C)C ZINC000351581736 219133739 /nfs/dbraw/zinc/13/37/39/219133739.db2.gz OLOOYCPGYRDTLD-RYUDHWBXSA-N 2 2 257.378 -0.198 20 0 CBADLP CNC(=O)[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)C(C)C ZINC000351581736 219133742 /nfs/dbraw/zinc/13/37/42/219133742.db2.gz OLOOYCPGYRDTLD-RYUDHWBXSA-N 2 2 257.378 -0.198 20 0 CBADLP C[N@H+](C[C@H](O)C[NH+]1CC[C@@H](NC(=O)NC2CC2)C1)C1CC1 ZINC000351599326 219139001 /nfs/dbraw/zinc/13/90/01/219139001.db2.gz WYUIYJXBEFDSTD-OCCSQVGLSA-N 2 2 296.415 -0.023 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH+]1CC[C@@H](NC(=O)NC2CC2)C1)C1CC1 ZINC000351599326 219139003 /nfs/dbraw/zinc/13/90/03/219139003.db2.gz WYUIYJXBEFDSTD-OCCSQVGLSA-N 2 2 296.415 -0.023 20 0 CBADLP C[NH+](C[C@H](O)C[N@@H+]1CC[C@@H](NC(=O)NC2CC2)C1)C1CC1 ZINC000351599326 219139005 /nfs/dbraw/zinc/13/90/05/219139005.db2.gz WYUIYJXBEFDSTD-OCCSQVGLSA-N 2 2 296.415 -0.023 20 0 CBADLP C[NH+](C[C@H](O)C[N@H+]1CC[C@@H](NC(=O)NC2CC2)C1)C1CC1 ZINC000351599326 219139008 /nfs/dbraw/zinc/13/90/08/219139008.db2.gz WYUIYJXBEFDSTD-OCCSQVGLSA-N 2 2 296.415 -0.023 20 0 CBADLP CNC(=O)N[C@H]1CC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000351598442 219139946 /nfs/dbraw/zinc/13/99/46/219139946.db2.gz CBBPZFYZYGPQDY-JQWIXIFHSA-N 2 2 270.377 -0.555 20 0 CBADLP CNC(=O)N[C@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000351598442 219139948 /nfs/dbraw/zinc/13/99/48/219139948.db2.gz CBBPZFYZYGPQDY-JQWIXIFHSA-N 2 2 270.377 -0.555 20 0 CBADLP CNC(=O)N[C@H]1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000351598442 219139949 /nfs/dbraw/zinc/13/99/49/219139949.db2.gz CBBPZFYZYGPQDY-JQWIXIFHSA-N 2 2 270.377 -0.555 20 0 CBADLP CNC(=O)N[C@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000351598442 219139950 /nfs/dbraw/zinc/13/99/50/219139950.db2.gz CBBPZFYZYGPQDY-JQWIXIFHSA-N 2 2 270.377 -0.555 20 0 CBADLP C[C@@H](C(=O)N1CC[NH+]([C@H]2CCCCNC2=O)CC1)[C@H](C)[NH3+] ZINC000373801633 295736100 /nfs/dbraw/zinc/73/61/00/295736100.db2.gz VUOYYFTUIUGBKY-AGIUHOORSA-N 2 2 296.415 -0.217 20 0 CBADLP C[N@H+](C[C@@H](O)C[NH2+][C@H](C(N)=O)C(C)(C)C)C1CC1 ZINC000351710316 219182117 /nfs/dbraw/zinc/18/21/17/219182117.db2.gz BWTDXQBXVUORBZ-WDEREUQCSA-N 2 2 257.378 -0.069 20 0 CBADLP C[N@@H+](C[C@@H](O)C[NH2+][C@H](C(N)=O)C(C)(C)C)C1CC1 ZINC000351710316 219182119 /nfs/dbraw/zinc/18/21/19/219182119.db2.gz BWTDXQBXVUORBZ-WDEREUQCSA-N 2 2 257.378 -0.069 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(C)=O)CC1 ZINC000339231410 215030317 /nfs/dbraw/zinc/03/03/17/215030317.db2.gz NLGUZPYOOBZJPB-CYBMUJFWSA-N 2 2 293.371 -0.379 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(C)=O)CC1 ZINC000339231410 215030321 /nfs/dbraw/zinc/03/03/21/215030321.db2.gz NLGUZPYOOBZJPB-CYBMUJFWSA-N 2 2 293.371 -0.379 20 0 CBADLP C[NH2+]CC(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000237251986 136591928 /nfs/dbraw/zinc/59/19/28/136591928.db2.gz XJZYUTRZLAMHEW-ZDUSSCGKSA-N 2 2 291.399 -0.072 20 0 CBADLP C[C@@H]1C[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@H]1O ZINC000351773148 219201652 /nfs/dbraw/zinc/20/16/52/219201652.db2.gz CNUVEKFKWJIKDO-CHWSQXEVSA-N 2 2 299.415 -0.474 20 0 CBADLP C[C@@H]1C[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@H]1O ZINC000351773148 219201653 /nfs/dbraw/zinc/20/16/53/219201653.db2.gz CNUVEKFKWJIKDO-CHWSQXEVSA-N 2 2 299.415 -0.474 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C[C@@H]1COCC[NH2+]1 ZINC000128931186 187399749 /nfs/dbraw/zinc/39/97/49/187399749.db2.gz USDIHKDPLMQNIM-GHMZBOCLSA-N 2 2 252.318 -0.234 20 0 CBADLP CCOC(=O)c1nn(C)cc1C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000351982009 219275767 /nfs/dbraw/zinc/27/57/67/219275767.db2.gz MZJUDAPDRZINHE-AWEZNQCLSA-N 2 2 296.371 -0.247 20 0 CBADLP CCOC(=O)c1nn(C)cc1C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000351982009 219275769 /nfs/dbraw/zinc/27/57/69/219275769.db2.gz MZJUDAPDRZINHE-AWEZNQCLSA-N 2 2 296.371 -0.247 20 0 CBADLP C[C@H]1CN(CC(=O)N2CC[NH+](C)CC2)C[C@H](C)[NH+]1C ZINC000339629197 215278413 /nfs/dbraw/zinc/27/84/13/215278413.db2.gz LLOXYDGBXIOVOP-STQMWFEESA-N 2 2 268.405 -0.215 20 0 CBADLP CC(C)[N@H+](C)CCNC(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000104797946 186023256 /nfs/dbraw/zinc/02/32/56/186023256.db2.gz DAORNANYOMFSIG-GFCCVEGCSA-N 2 2 272.393 -0.044 20 0 CBADLP CC(C)[N@@H+](C)CCNC(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000104797946 186023258 /nfs/dbraw/zinc/02/32/58/186023258.db2.gz DAORNANYOMFSIG-GFCCVEGCSA-N 2 2 272.393 -0.044 20 0 CBADLP CC(C)[NH+](C)CCNC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000104797946 186023260 /nfs/dbraw/zinc/02/32/60/186023260.db2.gz DAORNANYOMFSIG-GFCCVEGCSA-N 2 2 272.393 -0.044 20 0 CBADLP CC(C)[NH+](C)CCNC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000104797946 186023262 /nfs/dbraw/zinc/02/32/62/186023262.db2.gz DAORNANYOMFSIG-GFCCVEGCSA-N 2 2 272.393 -0.044 20 0 CBADLP CC(C)[N@H+](C)CCNC(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000104797949 186023584 /nfs/dbraw/zinc/02/35/84/186023584.db2.gz DAORNANYOMFSIG-LBPRGKRZSA-N 2 2 272.393 -0.044 20 0 CBADLP CC(C)[N@@H+](C)CCNC(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000104797949 186023586 /nfs/dbraw/zinc/02/35/86/186023586.db2.gz DAORNANYOMFSIG-LBPRGKRZSA-N 2 2 272.393 -0.044 20 0 CBADLP CC(C)[NH+](C)CCNC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000104797949 186023589 /nfs/dbraw/zinc/02/35/89/186023589.db2.gz DAORNANYOMFSIG-LBPRGKRZSA-N 2 2 272.393 -0.044 20 0 CBADLP CC(C)[NH+](C)CCNC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000104797949 186023591 /nfs/dbraw/zinc/02/35/91/186023591.db2.gz DAORNANYOMFSIG-LBPRGKRZSA-N 2 2 272.393 -0.044 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C[C@H]1C[NH2+]CCO1 ZINC000091299615 180125900 /nfs/dbraw/zinc/12/59/00/180125900.db2.gz RFFFWVXLVRYFEJ-MNOVXSKESA-N 2 2 252.318 -0.234 20 0 CBADLP C[N@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)[C@@H]1CCOC1 ZINC000106936819 186154199 /nfs/dbraw/zinc/15/41/99/186154199.db2.gz UPIOCHOSUWDPIZ-CYBMUJFWSA-N 2 2 299.415 -0.066 20 0 CBADLP C[N@@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)[C@@H]1CCOC1 ZINC000106936819 186154200 /nfs/dbraw/zinc/15/42/00/186154200.db2.gz UPIOCHOSUWDPIZ-CYBMUJFWSA-N 2 2 299.415 -0.066 20 0 CBADLP CC[C@H](C)[C@@H](NC(=O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C(=O)OC ZINC000107575146 186179906 /nfs/dbraw/zinc/17/99/06/186179906.db2.gz LAWYKTVBPUWBOY-CIQGVGRVSA-N 2 2 297.399 -0.159 20 0 CBADLP CC[C@H](C)[C@@H](NC(=O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C(=O)OC ZINC000107575146 186179907 /nfs/dbraw/zinc/17/99/07/186179907.db2.gz LAWYKTVBPUWBOY-CIQGVGRVSA-N 2 2 297.399 -0.159 20 0 CBADLP CCC[NH+]1CCC([N@H+](C)CC(=O)N2CCNC(=O)C2)CC1 ZINC000109788312 186272259 /nfs/dbraw/zinc/27/22/59/186272259.db2.gz MGXCCRCTGOWDGQ-UHFFFAOYSA-N 2 2 296.415 -0.249 20 0 CBADLP CCC[NH+]1CCC([N@@H+](C)CC(=O)N2CCNC(=O)C2)CC1 ZINC000109788312 186272261 /nfs/dbraw/zinc/27/22/61/186272261.db2.gz MGXCCRCTGOWDGQ-UHFFFAOYSA-N 2 2 296.415 -0.249 20 0 CBADLP C[NH+](C)CC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000112727430 186526706 /nfs/dbraw/zinc/52/67/06/186526706.db2.gz URPZCROUSOZMRH-UHFFFAOYSA-N 2 2 296.415 -0.392 20 0 CBADLP COCCCNC(=O)[C@@H](C)[NH+]1CCN(CCC[NH3+])CC1 ZINC000037037879 351396502 /nfs/dbraw/zinc/39/65/02/351396502.db2.gz QOYPGDHCZWFYRF-CYBMUJFWSA-N 2 2 286.420 -0.506 20 0 CBADLP COCCCNC(=O)[C@@H](C)N1CC[NH+](CCC[NH3+])CC1 ZINC000037037879 351396505 /nfs/dbraw/zinc/39/65/05/351396505.db2.gz QOYPGDHCZWFYRF-CYBMUJFWSA-N 2 2 286.420 -0.506 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C[NH2+]CC1CC1 ZINC000037612673 351399658 /nfs/dbraw/zinc/39/96/58/351399658.db2.gz INCIBDYXVYZNHU-LLVKDONJSA-N 2 2 255.362 -0.177 20 0 CBADLP CCN(CC)C(=O)C[NH+]1CCN(CCC[NH3+])CC1 ZINC000019688205 351350691 /nfs/dbraw/zinc/35/06/91/351350691.db2.gz ULWUOHHNAPGFQR-UHFFFAOYSA-N 2 2 256.394 -0.179 20 0 CBADLP CCN(CC)C(=O)CN1CC[NH+](CCC[NH3+])CC1 ZINC000019688205 351350693 /nfs/dbraw/zinc/35/06/93/351350693.db2.gz ULWUOHHNAPGFQR-UHFFFAOYSA-N 2 2 256.394 -0.179 20 0 CBADLP O=C([C@@H]1C[C@@H](O)C[NH2+]1)N1CCN(c2cccc[nH+]2)CC1 ZINC000020434231 351353262 /nfs/dbraw/zinc/35/32/62/351353262.db2.gz AZGWEGIYGNQMSY-NEPJUHHUSA-N 2 2 276.340 -0.547 20 0 CBADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cn(C)c(=O)n(C)c1=O ZINC000020091994 351353563 /nfs/dbraw/zinc/35/35/63/351353563.db2.gz SCROFXDRCJGVHA-GFCCVEGCSA-N 2 2 280.372 -0.342 20 0 CBADLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1cn(C)c(=O)n(C)c1=O ZINC000020091994 351353565 /nfs/dbraw/zinc/35/35/65/351353565.db2.gz SCROFXDRCJGVHA-GFCCVEGCSA-N 2 2 280.372 -0.342 20 0 CBADLP [NH3+]CCC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000040856511 351421315 /nfs/dbraw/zinc/42/13/15/351421315.db2.gz LLZHGXYTJGVEDV-UHFFFAOYSA-N 2 2 264.329 -0.117 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCCC[C@@H]2CO)CC1 ZINC000049751716 351495673 /nfs/dbraw/zinc/49/56/73/351495673.db2.gz SHYLRKAZXFWQFM-GFCCVEGCSA-N 2 2 255.362 -0.393 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CCCC[C@@H]2CO)CC1 ZINC000049751716 351495675 /nfs/dbraw/zinc/49/56/75/351495675.db2.gz SHYLRKAZXFWQFM-GFCCVEGCSA-N 2 2 255.362 -0.393 20 0 CBADLP CC(C)NC(=O)CC[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000051763374 351512546 /nfs/dbraw/zinc/51/25/46/351512546.db2.gz WJGLALJWQNEPJY-UHFFFAOYSA-N 2 2 284.404 -0.393 20 0 CBADLP C[C@@H](Cn1cccn1)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000049076285 351484551 /nfs/dbraw/zinc/48/45/51/351484551.db2.gz OLIRRFLMOCCJIZ-LBPRGKRZSA-N 2 2 265.361 -0.365 20 0 CBADLP CCn1cc[nH+]c1CN(C)CC(=O)N1CC[NH2+]CC1 ZINC000054743823 351537183 /nfs/dbraw/zinc/53/71/83/351537183.db2.gz GPUCICMGDKNRQR-UHFFFAOYSA-N 2 2 265.361 -0.233 20 0 CBADLP CC[NH+]1CCN(C[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC000061170775 351567298 /nfs/dbraw/zinc/56/72/98/351567298.db2.gz FFKKAAYRLGLBPK-CYBMUJFWSA-N 2 2 257.378 -0.683 20 0 CBADLP C[N@H+](CCNC[C@H](O)C[NH+]1CCOCC1)C1CC1 ZINC000061996760 351573896 /nfs/dbraw/zinc/57/38/96/351573896.db2.gz OGBMABGUJSRZLN-ZDUSSCGKSA-N 2 2 257.378 -0.637 20 0 CBADLP C[N@@H+](CCNC[C@H](O)C[NH+]1CCOCC1)C1CC1 ZINC000061996760 351573901 /nfs/dbraw/zinc/57/39/01/351573901.db2.gz OGBMABGUJSRZLN-ZDUSSCGKSA-N 2 2 257.378 -0.637 20 0 CBADLP C[C@]1(C(=O)NCC[NH+]2CCOCC2)CCC[NH2+]C1 ZINC000062852582 351575572 /nfs/dbraw/zinc/57/55/72/351575572.db2.gz GXWLNAUFUHZWMP-ZDUSSCGKSA-N 2 2 255.362 -0.176 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000062891870 351576951 /nfs/dbraw/zinc/57/69/51/351576951.db2.gz DXQLKKKSWAKMNO-AAEUAGOBSA-N 2 2 255.362 -0.177 20 0 CBADLP C[NH2+]CCCC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000062976855 351577935 /nfs/dbraw/zinc/57/79/35/351577935.db2.gz DJFKPHFLYZMPHT-LBPRGKRZSA-N 2 2 255.362 -0.081 20 0 CBADLP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC000063196170 351582118 /nfs/dbraw/zinc/58/21/18/351582118.db2.gz OTSHJCMUEYXSSU-CMPLNLGQSA-N 2 2 280.372 -0.214 20 0 CBADLP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC000063196170 351582120 /nfs/dbraw/zinc/58/21/20/351582120.db2.gz OTSHJCMUEYXSSU-CMPLNLGQSA-N 2 2 280.372 -0.214 20 0 CBADLP O=C(NCC[NH+]1CCOCC1)[C@H]1CC12CC[NH2+]CC2 ZINC000070252037 351637926 /nfs/dbraw/zinc/63/79/26/351637926.db2.gz QDHMESNGUBMSPH-GFCCVEGCSA-N 2 2 267.373 -0.176 20 0 CBADLP [NH3+]CCc1ccccc1C(=O)N1CC[NH+](CCO)CC1 ZINC000070551802 351639658 /nfs/dbraw/zinc/63/96/58/351639658.db2.gz KPVBJNZEIWBTDU-UHFFFAOYSA-N 2 2 277.368 -0.062 20 0 CBADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC000072858413 351651723 /nfs/dbraw/zinc/65/17/23/351651723.db2.gz OSFSSSXBHDZDCX-LBPRGKRZSA-N 2 2 294.399 -0.142 20 0 CBADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC000072858413 351651725 /nfs/dbraw/zinc/65/17/25/351651725.db2.gz OSFSSSXBHDZDCX-LBPRGKRZSA-N 2 2 294.399 -0.142 20 0 CBADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC000072858413 351651730 /nfs/dbraw/zinc/65/17/30/351651730.db2.gz OSFSSSXBHDZDCX-LBPRGKRZSA-N 2 2 294.399 -0.142 20 0 CBADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC000072858413 351651731 /nfs/dbraw/zinc/65/17/31/351651731.db2.gz OSFSSSXBHDZDCX-LBPRGKRZSA-N 2 2 294.399 -0.142 20 0 CBADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@@H](O)C2)C1 ZINC000074324337 351660451 /nfs/dbraw/zinc/66/04/51/351660451.db2.gz FICXBUQNBMLGLL-KGLIPLIRSA-N 2 2 299.415 -0.474 20 0 CBADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@@H](O)C2)C1 ZINC000074324337 351660455 /nfs/dbraw/zinc/66/04/55/351660455.db2.gz FICXBUQNBMLGLL-KGLIPLIRSA-N 2 2 299.415 -0.474 20 0 CBADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CC[C@@H](O)C2)C1 ZINC000074324337 351660457 /nfs/dbraw/zinc/66/04/57/351660457.db2.gz FICXBUQNBMLGLL-KGLIPLIRSA-N 2 2 299.415 -0.474 20 0 CBADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CC[C@@H](O)C2)C1 ZINC000074324337 351660459 /nfs/dbraw/zinc/66/04/59/351660459.db2.gz FICXBUQNBMLGLL-KGLIPLIRSA-N 2 2 299.415 -0.474 20 0 CBADLP CC(C)COC[C@H](O)C[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000068805399 351621988 /nfs/dbraw/zinc/62/19/88/351621988.db2.gz IOUSKRBTNNJBMI-ZIAGYGMSSA-N 2 2 273.421 -0.145 20 0 CBADLP CC(C)COC[C@H](O)C[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000068805399 351621989 /nfs/dbraw/zinc/62/19/89/351621989.db2.gz IOUSKRBTNNJBMI-ZIAGYGMSSA-N 2 2 273.421 -0.145 20 0 CBADLP O[C@@H](CN1CC[NH+](CC2CC2)CC1)C[NH+]1CCOCC1 ZINC000076517869 351677244 /nfs/dbraw/zinc/67/72/44/351677244.db2.gz OEXGCLUDUMCTBC-HNNXBMFYSA-N 2 2 283.416 -0.293 20 0 CBADLP C[NH+](C)CC(=O)N1CCN(CC[NH+]2CCOCC2)CC1 ZINC000077654743 351682830 /nfs/dbraw/zinc/68/28/30/351682830.db2.gz FGQSJYGHHQEOLU-UHFFFAOYSA-N 2 2 284.404 -0.976 20 0 CBADLP C[NH+](C)CC(=O)N1CC[NH+](CCN2CCOCC2)CC1 ZINC000077654743 351682834 /nfs/dbraw/zinc/68/28/34/351682834.db2.gz FGQSJYGHHQEOLU-UHFFFAOYSA-N 2 2 284.404 -0.976 20 0 CBADLP CN(C)c1[nH+]cc(CNC(=O)[C@@H]2C[N@H+](C)CCO2)n1C ZINC000081394577 351705468 /nfs/dbraw/zinc/70/54/68/351705468.db2.gz CHRNFOHFZCQTQM-NSHDSACASA-N 2 2 281.360 -0.567 20 0 CBADLP CN(C)c1[nH+]cc(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)n1C ZINC000081394577 351705471 /nfs/dbraw/zinc/70/54/71/351705471.db2.gz CHRNFOHFZCQTQM-NSHDSACASA-N 2 2 281.360 -0.567 20 0 CBADLP C[C@@H](CC[NH+]1CCOCC1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000081395057 351705572 /nfs/dbraw/zinc/70/55/72/351705572.db2.gz UDXPISFJIVIMCF-STQMWFEESA-N 2 2 285.388 -0.456 20 0 CBADLP C[C@@H](CC[NH+]1CCOCC1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000081395057 351705573 /nfs/dbraw/zinc/70/55/73/351705573.db2.gz UDXPISFJIVIMCF-STQMWFEESA-N 2 2 285.388 -0.456 20 0 CBADLP O=C([C@@H]1COCC[NH2+]1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000088372405 351725049 /nfs/dbraw/zinc/72/50/49/351725049.db2.gz WRKIRLFDLLXRMC-RYUDHWBXSA-N 2 2 253.346 -0.329 20 0 CBADLP OCC1(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)COC1 ZINC000089129833 351729113 /nfs/dbraw/zinc/72/91/13/351729113.db2.gz SVIGRXCXTNQHLF-CYBMUJFWSA-N 2 2 270.373 -0.351 20 0 CBADLP OCC1(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)COC1 ZINC000089129833 351729115 /nfs/dbraw/zinc/72/91/15/351729115.db2.gz SVIGRXCXTNQHLF-CYBMUJFWSA-N 2 2 270.373 -0.351 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000091134730 351743597 /nfs/dbraw/zinc/74/35/97/351743597.db2.gz KLMBKWZHZBRILF-VXGBXAGGSA-N 2 2 287.429 -0.082 20 0 CBADLP C[C@H](NC(=O)CN1CC[NH+](C)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000111611285 351804030 /nfs/dbraw/zinc/80/40/30/351804030.db2.gz ONHACSITGTUBNB-KBPBESRZSA-N 2 2 298.431 -0.541 20 0 CBADLP CCNC(=O)CC[NH+]1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000103492420 351787760 /nfs/dbraw/zinc/78/77/60/351787760.db2.gz ICGNNQUNRXCXGB-UHFFFAOYSA-N 2 2 298.431 -0.001 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@](O)(C(F)(F)F)C2)CC1 ZINC000093187891 351757649 /nfs/dbraw/zinc/75/76/49/351757649.db2.gz FJRDOERGMNNIKJ-LLVKDONJSA-N 2 2 295.305 -0.241 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@](O)(C(F)(F)F)C2)CC1 ZINC000093187891 351757653 /nfs/dbraw/zinc/75/76/53/351757653.db2.gz FJRDOERGMNNIKJ-LLVKDONJSA-N 2 2 295.305 -0.241 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C(=O)NC2CC2)CC1 ZINC000093173878 351758201 /nfs/dbraw/zinc/75/82/01/351758201.db2.gz YDIFKVWNYJETBO-CYBMUJFWSA-N 2 2 294.399 -0.497 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C(=O)NC2CC2)CC1 ZINC000093173878 351758202 /nfs/dbraw/zinc/75/82/02/351758202.db2.gz YDIFKVWNYJETBO-CYBMUJFWSA-N 2 2 294.399 -0.497 20 0 CBADLP COC[C@@](C)(CCO)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000093188814 351758354 /nfs/dbraw/zinc/75/83/54/351758354.db2.gz NHSJSYGJYDHXTR-CYBMUJFWSA-N 2 2 273.377 -0.863 20 0 CBADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H]1CCC[C@@H]1O ZINC000093208932 351758781 /nfs/dbraw/zinc/75/87/81/351758781.db2.gz JMOLNNUVBMMIDP-OLZOCXBDSA-N 2 2 269.389 -0.147 20 0 CBADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H]1CCC[C@@H]1O ZINC000093208932 351758784 /nfs/dbraw/zinc/75/87/84/351758784.db2.gz JMOLNNUVBMMIDP-OLZOCXBDSA-N 2 2 269.389 -0.147 20 0 CBADLP CC(C)C(=O)NCC[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000093256886 351759974 /nfs/dbraw/zinc/75/99/74/351759974.db2.gz YMSBSEYNAKSLPO-UHFFFAOYSA-N 2 2 284.404 -0.536 20 0 CBADLP CC(C)C(=O)NCC[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000093256886 351759978 /nfs/dbraw/zinc/75/99/78/351759978.db2.gz YMSBSEYNAKSLPO-UHFFFAOYSA-N 2 2 284.404 -0.536 20 0 CBADLP CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CC[C@H]([NH3+])C2)C1 ZINC000093698369 351760586 /nfs/dbraw/zinc/76/05/86/351760586.db2.gz WSARHOLLCCDJPU-MNOVXSKESA-N 2 2 261.391 -0.309 20 0 CBADLP CS(=O)(=O)N1CCC[C@H](C[N@H+]2CC[C@H]([NH3+])C2)C1 ZINC000093698369 351760589 /nfs/dbraw/zinc/76/05/89/351760589.db2.gz WSARHOLLCCDJPU-MNOVXSKESA-N 2 2 261.391 -0.309 20 0 CBADLP CC(=O)N1CCN(C(=O)C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)CC1 ZINC000094341805 351763671 /nfs/dbraw/zinc/76/36/71/351763671.db2.gz SGIFFJXTQKZHTH-AAEUAGOBSA-N 2 2 282.388 -0.654 20 0 CBADLP CC(=O)N1CCN(C(=O)C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)CC1 ZINC000094341805 351763682 /nfs/dbraw/zinc/76/36/82/351763682.db2.gz SGIFFJXTQKZHTH-AAEUAGOBSA-N 2 2 282.388 -0.654 20 0 CBADLP CC(=O)N1CCN(C(=O)C[N@H+]2CC[C@@H](C[NH+](C)C)C2)CC1 ZINC000113514682 351814915 /nfs/dbraw/zinc/81/49/15/351814915.db2.gz IBWLITFBAQIBIC-AWEZNQCLSA-N 2 2 296.415 -0.439 20 0 CBADLP CC(=O)N1CCN(C(=O)C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)CC1 ZINC000113514682 351814918 /nfs/dbraw/zinc/81/49/18/351814918.db2.gz IBWLITFBAQIBIC-AWEZNQCLSA-N 2 2 296.415 -0.439 20 0 CBADLP CCNC(=O)NC(=O)C[N@@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000122791059 351852241 /nfs/dbraw/zinc/85/22/41/351852241.db2.gz HIPXUSSMZIYTQE-UWVGGRQHSA-N 2 2 256.350 -0.109 20 0 CBADLP CCNC(=O)NC(=O)C[N@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000122791059 351852244 /nfs/dbraw/zinc/85/22/44/351852244.db2.gz HIPXUSSMZIYTQE-UWVGGRQHSA-N 2 2 256.350 -0.109 20 0 CBADLP CS(=O)(=O)N1CCC[C@@H](C[N@@H+]2CC[C@@H]([NH3+])C2)C1 ZINC000123133455 187073185 /nfs/dbraw/zinc/07/31/85/187073185.db2.gz WSARHOLLCCDJPU-WDEREUQCSA-N 2 2 261.391 -0.309 20 0 CBADLP CS(=O)(=O)N1CCC[C@@H](C[N@H+]2CC[C@@H]([NH3+])C2)C1 ZINC000123133455 187073186 /nfs/dbraw/zinc/07/31/86/187073186.db2.gz WSARHOLLCCDJPU-WDEREUQCSA-N 2 2 261.391 -0.309 20 0 CBADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC000124558573 351855544 /nfs/dbraw/zinc/85/55/44/351855544.db2.gz ZYBLKYJNNMWTHQ-UWVGGRQHSA-N 2 2 266.345 -0.604 20 0 CBADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC000124558573 351855547 /nfs/dbraw/zinc/85/55/47/351855547.db2.gz ZYBLKYJNNMWTHQ-UWVGGRQHSA-N 2 2 266.345 -0.604 20 0 CBADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)NC(=O)NC1CC1 ZINC000124581435 351855950 /nfs/dbraw/zinc/85/59/50/351855950.db2.gz YKFHINZZWQCWPM-RKDXNWHRSA-N 2 2 254.334 -0.214 20 0 CBADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)NC(=O)NC1CC1 ZINC000124581435 351855953 /nfs/dbraw/zinc/85/59/53/351855953.db2.gz YKFHINZZWQCWPM-RKDXNWHRSA-N 2 2 254.334 -0.214 20 0 CBADLP COCC[NH+]1CCN(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000120617379 351842266 /nfs/dbraw/zinc/84/22/66/351842266.db2.gz MRUQHMUIWAIXNM-UHFFFAOYSA-N 2 2 284.404 -0.976 20 0 CBADLP C[N@@H+]1CCN(C(=O)CNC(=O)c2ccccc2)[C@H](C[NH3+])C1 ZINC000120777040 351843447 /nfs/dbraw/zinc/84/34/47/351843447.db2.gz CMEGDABFQGHFJB-CYBMUJFWSA-N 2 2 290.367 -0.482 20 0 CBADLP C[N@H+]1CCN(C(=O)CNC(=O)c2ccccc2)[C@H](C[NH3+])C1 ZINC000120777040 351843451 /nfs/dbraw/zinc/84/34/51/351843451.db2.gz CMEGDABFQGHFJB-CYBMUJFWSA-N 2 2 290.367 -0.482 20 0 CBADLP COC[C@H](O)C[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000127031822 351862720 /nfs/dbraw/zinc/86/27/20/351862720.db2.gz ATTDVHASAPCFPT-GFCCVEGCSA-N 2 2 295.387 -0.328 20 0 CBADLP CNC(=O)NC(=O)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000123484644 187094972 /nfs/dbraw/zinc/09/49/72/187094972.db2.gz AIBARFRWRCUHQC-ZJUUUORDSA-N 2 2 254.334 -0.342 20 0 CBADLP CNC(=O)NC(=O)CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000123484644 187094973 /nfs/dbraw/zinc/09/49/73/187094973.db2.gz AIBARFRWRCUHQC-ZJUUUORDSA-N 2 2 254.334 -0.342 20 0 CBADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CC(=O)NC(N)=O)C1 ZINC000123506859 187095757 /nfs/dbraw/zinc/09/57/57/187095757.db2.gz WATZBLYGFVXGPV-SNVBAGLBSA-N 2 2 279.344 -0.131 20 0 CBADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CC(=O)NC(N)=O)C1 ZINC000123506859 187095758 /nfs/dbraw/zinc/09/57/58/187095758.db2.gz WATZBLYGFVXGPV-SNVBAGLBSA-N 2 2 279.344 -0.131 20 0 CBADLP O=C(C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)N1CCNC1=O ZINC000150767262 351932274 /nfs/dbraw/zinc/93/22/74/351932274.db2.gz FVTVKTNSBHWQCF-GFCCVEGCSA-N 2 2 280.372 -0.044 20 0 CBADLP O=C(C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)N1CCNC1=O ZINC000150767262 351932276 /nfs/dbraw/zinc/93/22/76/351932276.db2.gz FVTVKTNSBHWQCF-GFCCVEGCSA-N 2 2 280.372 -0.044 20 0 CBADLP CC[N@H+](CC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)C1CC1 ZINC000133206369 351898100 /nfs/dbraw/zinc/89/81/00/351898100.db2.gz YDDLNTCVINQNGZ-CQSZACIVSA-N 2 2 299.415 -0.378 20 0 CBADLP CC[N@@H+](CC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)C1CC1 ZINC000133206369 351898104 /nfs/dbraw/zinc/89/81/04/351898104.db2.gz YDDLNTCVINQNGZ-CQSZACIVSA-N 2 2 299.415 -0.378 20 0 CBADLP C[C@H](NC(=O)NCC[NH+](C)C)[C@H](C)[NH+]1CCOCC1 ZINC000133626132 351900606 /nfs/dbraw/zinc/90/06/06/351900606.db2.gz ZDLBRJXBKGLQCQ-RYUDHWBXSA-N 2 2 272.393 -0.044 20 0 CBADLP COC(=O)C1CCN(C(=O)C[N@H+](C)CCC[NH3+])CC1 ZINC000133795292 351902039 /nfs/dbraw/zinc/90/20/39/351902039.db2.gz HJDQYTCQQIHKIG-UHFFFAOYSA-N 2 2 271.361 -0.321 20 0 CBADLP COC(=O)C1CCN(C(=O)C[N@@H+](C)CCC[NH3+])CC1 ZINC000133795292 351902043 /nfs/dbraw/zinc/90/20/43/351902043.db2.gz HJDQYTCQQIHKIG-UHFFFAOYSA-N 2 2 271.361 -0.321 20 0 CBADLP CCO[C@H]1C[C@]([NH3+])(C(=O)N2CC[NH+](CCO)CC2)C1(C)C ZINC000133943841 351903764 /nfs/dbraw/zinc/90/37/64/351903764.db2.gz RFRJCVNBEXPFAQ-WFASDCNBSA-N 2 2 299.415 -0.345 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000134156052 351904507 /nfs/dbraw/zinc/90/45/07/351904507.db2.gz UDASHLVDNHWWOM-SNVBAGLBSA-N 2 2 278.360 -0.462 20 0 CBADLP Cc1ccc(C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c(=O)[nH]1 ZINC000156792186 351953172 /nfs/dbraw/zinc/95/31/72/351953172.db2.gz ZYVHDYFWNXMZBP-SNVBAGLBSA-N 2 2 264.329 -0.602 20 0 CBADLP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000156912595 351954122 /nfs/dbraw/zinc/95/41/22/351954122.db2.gz YFGGMOHGPOAWJC-SRVKXCTJSA-N 2 2 255.362 -0.097 20 0 CBADLP C[NH+](C)CC(=O)N1CC[NH+](CCOC[C@@H]2CCCO2)CC1 ZINC000158054614 351957970 /nfs/dbraw/zinc/95/79/70/351957970.db2.gz HQKABOKZYSPELZ-AWEZNQCLSA-N 2 2 299.415 -0.112 20 0 CBADLP C[N@H+](CCCn1cc[nH+]c1)CCN1C(=O)CNC1=O ZINC000162299151 351977529 /nfs/dbraw/zinc/97/75/29/351977529.db2.gz FKOFKXCFOPLOGA-UHFFFAOYSA-N 2 2 265.317 -0.243 20 0 CBADLP C[N@@H+](CCCn1cc[nH+]c1)CCN1C(=O)CNC1=O ZINC000162299151 351977532 /nfs/dbraw/zinc/97/75/32/351977532.db2.gz FKOFKXCFOPLOGA-UHFFFAOYSA-N 2 2 265.317 -0.243 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1CCCn1cc[nH+]c1 ZINC000163758112 351982830 /nfs/dbraw/zinc/98/28/30/351982830.db2.gz NWKITSGBMFXAFU-MNOVXSKESA-N 2 2 253.302 -0.119 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1CCCn1cc[nH+]c1 ZINC000163758112 351982833 /nfs/dbraw/zinc/98/28/33/351982833.db2.gz NWKITSGBMFXAFU-MNOVXSKESA-N 2 2 253.302 -0.119 20 0 CBADLP CCOCC[NH+]1CCN(C(=O)[C@H]2COCC[NH2+]2)CC1 ZINC000164458801 351983781 /nfs/dbraw/zinc/98/37/81/351983781.db2.gz RLWZUPQCORYJJG-GFCCVEGCSA-N 2 2 271.361 -0.845 20 0 CBADLP O=C(NCCCNc1cccc[nH+]1)[C@H]1C[NH2+]CCO1 ZINC000165242191 351986026 /nfs/dbraw/zinc/98/60/26/351986026.db2.gz IFNPZTNSTYOWNS-LLVKDONJSA-N 2 2 264.329 -0.012 20 0 CBADLP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)CN1CC[NH2+]CC1=O ZINC000166028839 351986703 /nfs/dbraw/zinc/98/67/03/351986703.db2.gz MANUAFBFZXGLGN-CHWSQXEVSA-N 2 2 296.415 -0.345 20 0 CBADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)[C@H]1CC[NH2+]C1 ZINC000167531925 351989801 /nfs/dbraw/zinc/98/98/01/351989801.db2.gz UCKOJTBCVBPNEZ-LBPRGKRZSA-N 2 2 293.371 -0.237 20 0 CBADLP CC[C@@H]1CN(C(=O)[C@@H]2COCC[NH2+]2)CC[N@@H+]1C[C@@H](C)O ZINC000167996814 351992103 /nfs/dbraw/zinc/99/21/03/351992103.db2.gz OUFVFNCKQUODFS-UPJWGTAASA-N 2 2 285.388 -0.722 20 0 CBADLP CC[C@@H]1CN(C(=O)[C@@H]2COCC[NH2+]2)CC[N@H+]1C[C@@H](C)O ZINC000167996814 351992106 /nfs/dbraw/zinc/99/21/06/351992106.db2.gz OUFVFNCKQUODFS-UPJWGTAASA-N 2 2 285.388 -0.722 20 0 CBADLP [NH3+]CC(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000168296647 351992633 /nfs/dbraw/zinc/99/26/33/351992633.db2.gz UQAFPTJYGQVITO-CYBMUJFWSA-N 2 2 293.367 -0.471 20 0 CBADLP NC(=O)NC(=O)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173875455 352042438 /nfs/dbraw/zinc/04/24/38/352042438.db2.gz IQTBPZLCRRVGRU-LLVKDONJSA-N 2 2 268.361 -0.011 20 0 CBADLP NC(=O)NC(=O)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173875455 352042440 /nfs/dbraw/zinc/04/24/40/352042440.db2.gz IQTBPZLCRRVGRU-LLVKDONJSA-N 2 2 268.361 -0.011 20 0 CBADLP CC(C)[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH+]1CCOCC1 ZINC000174506634 352047468 /nfs/dbraw/zinc/04/74/68/352047468.db2.gz VDQIQZMPURQFIU-UONOGXRCSA-N 2 2 299.415 -0.210 20 0 CBADLP CC(C)[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH+]1CCOCC1 ZINC000174506634 352047471 /nfs/dbraw/zinc/04/74/71/352047471.db2.gz VDQIQZMPURQFIU-UONOGXRCSA-N 2 2 299.415 -0.210 20 0 CBADLP C[NH+](C)C1CC[NH+](CCNC(=O)C2=NNC(=O)CC2)CC1 ZINC000177118929 352069831 /nfs/dbraw/zinc/06/98/31/352069831.db2.gz LSACXFLKNRILNA-UHFFFAOYSA-N 2 2 295.387 -0.605 20 0 CBADLP COC(=O)CNC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000177057489 352069922 /nfs/dbraw/zinc/06/99/22/352069922.db2.gz AJYAUVHJGUCOGF-QWRGUYRKSA-N 2 2 271.361 -0.310 20 0 CBADLP COC(=O)CNC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000177057489 352069930 /nfs/dbraw/zinc/06/99/30/352069930.db2.gz AJYAUVHJGUCOGF-QWRGUYRKSA-N 2 2 271.361 -0.310 20 0 CBADLP COC(=O)CNC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000177057489 352069933 /nfs/dbraw/zinc/06/99/33/352069933.db2.gz AJYAUVHJGUCOGF-QWRGUYRKSA-N 2 2 271.361 -0.310 20 0 CBADLP COC(=O)CNC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000177057489 352069936 /nfs/dbraw/zinc/06/99/36/352069936.db2.gz AJYAUVHJGUCOGF-QWRGUYRKSA-N 2 2 271.361 -0.310 20 0 CBADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000172247903 352023629 /nfs/dbraw/zinc/02/36/29/352023629.db2.gz RSAUEKOKJDVABD-ZDUSSCGKSA-N 2 2 296.415 -0.075 20 0 CBADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000172247903 352023631 /nfs/dbraw/zinc/02/36/31/352023631.db2.gz RSAUEKOKJDVABD-ZDUSSCGKSA-N 2 2 296.415 -0.075 20 0 CBADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)CC1(CO)CC1 ZINC000186766975 352131182 /nfs/dbraw/zinc/13/11/82/352131182.db2.gz BISSKPQEWJYJPQ-UHFFFAOYSA-N 2 2 255.362 -0.535 20 0 CBADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)CC1(CO)CC1 ZINC000186766975 352131183 /nfs/dbraw/zinc/13/11/83/352131183.db2.gz BISSKPQEWJYJPQ-UHFFFAOYSA-N 2 2 255.362 -0.535 20 0 CBADLP O=C1NCC[C@H]1[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000178202102 352077803 /nfs/dbraw/zinc/07/78/03/352077803.db2.gz PGZSYMGMYCTPGL-QWHCGFSZSA-N 2 2 267.373 -0.081 20 0 CBADLP COCCOCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000178729067 352083071 /nfs/dbraw/zinc/08/30/71/352083071.db2.gz KQHDCXIJMRMQNK-AWEZNQCLSA-N 2 2 299.415 -0.112 20 0 CBADLP COCCOCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000178729067 352083074 /nfs/dbraw/zinc/08/30/74/352083074.db2.gz KQHDCXIJMRMQNK-AWEZNQCLSA-N 2 2 299.415 -0.112 20 0 CBADLP C[C@H]1CCC[C@H](CO)[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000181385105 352099206 /nfs/dbraw/zinc/09/92/06/352099206.db2.gz CMQGFCLQAGPRGI-QWHCGFSZSA-N 2 2 269.389 -0.004 20 0 CBADLP C[C@H]1CCC[C@H](CO)[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000181385105 352099207 /nfs/dbraw/zinc/09/92/07/352099207.db2.gz CMQGFCLQAGPRGI-QWHCGFSZSA-N 2 2 269.389 -0.004 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCCC[C@H]2C(N)=O)CC1 ZINC000181914762 352102156 /nfs/dbraw/zinc/10/21/56/352102156.db2.gz PHAYCKCAMLRYJT-NSHDSACASA-N 2 2 268.361 -0.900 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CCCC[C@H]2C(N)=O)CC1 ZINC000181914762 352102159 /nfs/dbraw/zinc/10/21/59/352102159.db2.gz PHAYCKCAMLRYJT-NSHDSACASA-N 2 2 268.361 -0.900 20 0 CBADLP C[C@H]1CN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)C[C@@H]1[NH+]1CCOCC1 ZINC000188791825 352159310 /nfs/dbraw/zinc/15/93/10/352159310.db2.gz JSLFQYQRHCEGBY-RVMXOQNASA-N 2 2 285.363 -0.135 20 0 CBADLP CNS(=O)(=O)CC[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000190313074 352179402 /nfs/dbraw/zinc/17/94/02/352179402.db2.gz LQFRVZZWVPSEQD-UHFFFAOYSA-N 2 2 272.374 -0.214 20 0 CBADLP C[C@@H](NC(=O)[C@H]1C[NH2+]CCO1)[C@@H](C)[NH+]1CCOCC1 ZINC000188181418 352148765 /nfs/dbraw/zinc/14/87/65/352148765.db2.gz VPBXLDHBHRSOKQ-IJLUTSLNSA-N 2 2 271.361 -0.800 20 0 CBADLP COC[C@H](C)C[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000188268749 352149675 /nfs/dbraw/zinc/14/96/75/352149675.db2.gz XTOSXBUGUSXILY-KGLIPLIRSA-N 2 2 299.415 -0.208 20 0 CBADLP C[C@H]([NH3+])CCC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000193292305 352204442 /nfs/dbraw/zinc/20/44/42/352204442.db2.gz BGDWXCIOWZSTRA-ZDUSSCGKSA-N 2 2 296.415 -0.120 20 0 CBADLP CCOC(=O)CN(C)C(=O)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193646516 352207647 /nfs/dbraw/zinc/20/76/47/352207647.db2.gz ZDSHNLKLPVRZHF-TXEJJXNPSA-N 2 2 283.372 -0.499 20 0 CBADLP CCOC(=O)CN(C)C(=O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193646516 352207652 /nfs/dbraw/zinc/20/76/52/352207652.db2.gz ZDSHNLKLPVRZHF-TXEJJXNPSA-N 2 2 283.372 -0.499 20 0 CBADLP CCOC(=O)CN(C)C(=O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193646516 352207654 /nfs/dbraw/zinc/20/76/54/352207654.db2.gz ZDSHNLKLPVRZHF-TXEJJXNPSA-N 2 2 283.372 -0.499 20 0 CBADLP CCOC(=O)CN(C)C(=O)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193646516 352207656 /nfs/dbraw/zinc/20/76/56/352207656.db2.gz ZDSHNLKLPVRZHF-TXEJJXNPSA-N 2 2 283.372 -0.499 20 0 CBADLP CNc1[nH+]cnc2c1cnn2C[C@@H](O)C[NH+]1CCOCC1 ZINC000193756579 352209540 /nfs/dbraw/zinc/20/95/40/352209540.db2.gz HESLODGVMCRXKU-JTQLQIEISA-N 2 2 292.343 -0.439 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000221584688 352241207 /nfs/dbraw/zinc/24/12/07/352241207.db2.gz LPSLOGFSCLWRLF-UTUOFQBUSA-N 2 2 255.362 -0.179 20 0 CBADLP CCCNC(=O)NC(=O)C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227069159 352255842 /nfs/dbraw/zinc/25/58/42/352255842.db2.gz CVYQSOGAIWRKNN-VHSXEESVSA-N 2 2 256.350 -0.109 20 0 CBADLP CCCNC(=O)NC(=O)C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227069159 352255844 /nfs/dbraw/zinc/25/58/44/352255844.db2.gz CVYQSOGAIWRKNN-VHSXEESVSA-N 2 2 256.350 -0.109 20 0 CBADLP CO[C@@H](C[NH3+])C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000227362655 352257148 /nfs/dbraw/zinc/25/71/48/352257148.db2.gz GULCAQWYKVPGRN-ZDUSSCGKSA-N 2 2 278.356 -0.301 20 0 CBADLP COc1c(N)[nH+]cnc1NC[C@H]1C[N@H+](C)CCN1C ZINC000227369665 352257609 /nfs/dbraw/zinc/25/76/09/352257609.db2.gz AXBWATJFVRGMII-VIFPVBQESA-N 2 2 266.349 -0.275 20 0 CBADLP COc1c(N)[nH+]cnc1NC[C@H]1C[N@@H+](C)CCN1C ZINC000227369665 352257611 /nfs/dbraw/zinc/25/76/11/352257611.db2.gz AXBWATJFVRGMII-VIFPVBQESA-N 2 2 266.349 -0.275 20 0 CBADLP COc1c(N)[nH+]cnc1NC[C@](C)(O)C[NH+](C)C ZINC000228048847 352260631 /nfs/dbraw/zinc/26/06/31/352260631.db2.gz KMXIVDKCBYACSF-NSHDSACASA-N 2 2 255.322 -0.208 20 0 CBADLP COc1c(N)nc[nH+]c1NC[C@](C)(O)C[NH+](C)C ZINC000228048847 352260634 /nfs/dbraw/zinc/26/06/34/352260634.db2.gz KMXIVDKCBYACSF-NSHDSACASA-N 2 2 255.322 -0.208 20 0 CBADLP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@H]1COCC[NH2+]1 ZINC000245434725 352320714 /nfs/dbraw/zinc/32/07/14/352320714.db2.gz PZZCNPUXBGIBIA-NWDGAFQWSA-N 2 2 255.362 -0.083 20 0 CBADLP CC[NH+]1CCN(CC(=O)NCC[NH+]2CCOCC2)CC1 ZINC000243819205 352316205 /nfs/dbraw/zinc/31/62/05/352316205.db2.gz QUGNOKIWTLVLQL-UHFFFAOYSA-N 2 2 284.404 -0.928 20 0 CBADLP CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@H]1COCC[NH2+]1 ZINC000245434725 352320718 /nfs/dbraw/zinc/32/07/18/352320718.db2.gz PZZCNPUXBGIBIA-NWDGAFQWSA-N 2 2 255.362 -0.083 20 0 CBADLP CO[C@@H](C[NH3+])CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000232118109 352279375 /nfs/dbraw/zinc/27/93/75/352279375.db2.gz RNAUCLSKQURESG-LLVKDONJSA-N 2 2 273.377 -0.423 20 0 CBADLP COCCOC[C@H](O)C[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000234904963 352286215 /nfs/dbraw/zinc/28/62/15/352286215.db2.gz RVXIUFRBAFSWPD-NWDGAFQWSA-N 2 2 257.334 -0.115 20 0 CBADLP CC[NH2+]CC1CCN(C(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000237006359 352297624 /nfs/dbraw/zinc/29/76/24/352297624.db2.gz RNVXXAWZOLKYGK-UHFFFAOYSA-N 2 2 282.388 -0.734 20 0 CBADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000237029607 352298058 /nfs/dbraw/zinc/29/80/58/352298058.db2.gz CMNHMSKQVZFCKE-ZDUSSCGKSA-N 2 2 296.415 -0.392 20 0 CBADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CSC[NH2+]1 ZINC000237086003 352298806 /nfs/dbraw/zinc/29/88/06/352298806.db2.gz RLTQJUSEWCUPMG-GHMZBOCLSA-N 2 2 273.402 -0.124 20 0 CBADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CSC[NH2+]1 ZINC000237086003 352298807 /nfs/dbraw/zinc/29/88/07/352298807.db2.gz RLTQJUSEWCUPMG-GHMZBOCLSA-N 2 2 273.402 -0.124 20 0 CBADLP C[NH2+]CC(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000237204086 352301274 /nfs/dbraw/zinc/30/12/74/352301274.db2.gz MEDMBBHYURPOCZ-LBPRGKRZSA-N 2 2 282.388 -0.639 20 0 CBADLP C[NH2+]CC(=O)N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000237200483 352301309 /nfs/dbraw/zinc/30/13/09/352301309.db2.gz JFUKJUFETAFIEO-ZDUSSCGKSA-N 2 2 296.415 -0.249 20 0 CBADLP COCC[NH2+]CC(=O)N[C@@H]1CCc2[nH+]c(C)cn2C1 ZINC000237221978 352302540 /nfs/dbraw/zinc/30/25/40/352302540.db2.gz FDXMJUUXVBCJPJ-LLVKDONJSA-N 2 2 266.345 -0.141 20 0 CBADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)CC[NH3+])CC1 ZINC000237395971 352303983 /nfs/dbraw/zinc/30/39/83/352303983.db2.gz SEPNQPOHAQKNGV-SNVBAGLBSA-N 2 2 268.361 -0.854 20 0 CBADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)C2([NH3+])CC2)CC1 ZINC000237413838 352304828 /nfs/dbraw/zinc/30/48/28/352304828.db2.gz HQBSFGXZAOHJCY-GFCCVEGCSA-N 2 2 294.399 -0.367 20 0 CBADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)C[NH3+])CC1 ZINC000237472907 352305656 /nfs/dbraw/zinc/30/56/56/352305656.db2.gz BIFQFFZOFJIBKN-NSHDSACASA-N 2 2 268.361 -0.900 20 0 CBADLP C[C@H]1CCCC[N@@H+]1CCNC(=O)CN1CC[NH2+]CC1=O ZINC000237509301 352305841 /nfs/dbraw/zinc/30/58/41/352305841.db2.gz WABDNKHJZCKRCQ-LBPRGKRZSA-N 2 2 282.388 -0.591 20 0 CBADLP C[C@H]1CCCC[N@H+]1CCNC(=O)CN1CC[NH2+]CC1=O ZINC000237509301 352305844 /nfs/dbraw/zinc/30/58/44/352305844.db2.gz WABDNKHJZCKRCQ-LBPRGKRZSA-N 2 2 282.388 -0.591 20 0 CBADLP CC[C@@H]1CN(C(=O)[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1C[C@H](C)O ZINC000245422433 352320445 /nfs/dbraw/zinc/32/04/45/352320445.db2.gz ITPKGALIFUOIFQ-MJBXVCDLSA-N 2 2 299.415 -0.379 20 0 CBADLP CC[C@@H]1CN(C(=O)[C@@H]2C[NH+](C)CCO2)CC[N@H+]1C[C@H](C)O ZINC000245422433 352320448 /nfs/dbraw/zinc/32/04/48/352320448.db2.gz ITPKGALIFUOIFQ-MJBXVCDLSA-N 2 2 299.415 -0.379 20 0 CBADLP CC[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC[NH+]1C[C@H](C)O ZINC000245422433 352320450 /nfs/dbraw/zinc/32/04/50/352320450.db2.gz ITPKGALIFUOIFQ-MJBXVCDLSA-N 2 2 299.415 -0.379 20 0 CBADLP CC[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1C[C@H](C)O ZINC000245422433 352320455 /nfs/dbraw/zinc/32/04/55/352320455.db2.gz ITPKGALIFUOIFQ-MJBXVCDLSA-N 2 2 299.415 -0.379 20 0 CBADLP O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)[C@H]1CC[NH2+]C1 ZINC000237973544 352312311 /nfs/dbraw/zinc/31/23/11/352312311.db2.gz XQKBMPBGZSVGGX-JSGCOSHPSA-N 2 2 299.440 -0.080 20 0 CBADLP O=C([C@H]1CSC[NH2+]1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000238013576 352313367 /nfs/dbraw/zinc/31/33/67/352313367.db2.gz PMMWZDWKWXQABX-NWDGAFQWSA-N 2 2 285.413 -0.170 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCS[C@H]3COCC[C@H]32)CC1 ZINC000245529033 352321890 /nfs/dbraw/zinc/32/18/90/352321890.db2.gz FJMVCKWBWPDRBE-OLZOCXBDSA-N 2 2 299.440 -0.033 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CCS[C@H]3COCC[C@H]32)CC1 ZINC000245529033 352321895 /nfs/dbraw/zinc/32/18/95/352321895.db2.gz FJMVCKWBWPDRBE-OLZOCXBDSA-N 2 2 299.440 -0.033 20 0 CBADLP CNC(=O)NC(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247941389 352349348 /nfs/dbraw/zinc/34/93/48/352349348.db2.gz DAPXHFRXJRTXPP-QWRGUYRKSA-N 2 2 268.361 -0.142 20 0 CBADLP CNC(=O)NC(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247941389 352349351 /nfs/dbraw/zinc/34/93/51/352349351.db2.gz DAPXHFRXJRTXPP-QWRGUYRKSA-N 2 2 268.361 -0.142 20 0 CBADLP CNC(=O)NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247941389 352349353 /nfs/dbraw/zinc/34/93/53/352349353.db2.gz DAPXHFRXJRTXPP-QWRGUYRKSA-N 2 2 268.361 -0.142 20 0 CBADLP CNC(=O)NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247941389 352349356 /nfs/dbraw/zinc/34/93/56/352349356.db2.gz DAPXHFRXJRTXPP-QWRGUYRKSA-N 2 2 268.361 -0.142 20 0 CBADLP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC000249389119 352364684 /nfs/dbraw/zinc/36/46/84/352364684.db2.gz QJXJRDOUZMQBOE-CHWSQXEVSA-N 2 2 299.415 -0.379 20 0 CBADLP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC000249389119 352364687 /nfs/dbraw/zinc/36/46/87/352364687.db2.gz QJXJRDOUZMQBOE-CHWSQXEVSA-N 2 2 299.415 -0.379 20 0 CBADLP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000249389119 352364688 /nfs/dbraw/zinc/36/46/88/352364688.db2.gz QJXJRDOUZMQBOE-CHWSQXEVSA-N 2 2 299.415 -0.379 20 0 CBADLP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000249389119 352364691 /nfs/dbraw/zinc/36/46/91/352364691.db2.gz QJXJRDOUZMQBOE-CHWSQXEVSA-N 2 2 299.415 -0.379 20 0 CBADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)CC[C@@H]2CC[NH2+]C2)CC1 ZINC000261907468 352399769 /nfs/dbraw/zinc/39/97/69/352399769.db2.gz VXTFBUYYKQQMAA-GFCCVEGCSA-N 2 2 296.415 -0.216 20 0 CBADLP CN1CC[N@H+](C)[C@@H](CNC(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000250363989 352372103 /nfs/dbraw/zinc/37/21/03/352372103.db2.gz FAOXJPHZWKMHLV-NEPJUHHUSA-N 2 2 254.378 -0.510 20 0 CBADLP CN1CC[N@@H+](C)[C@@H](CNC(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000250363989 352372105 /nfs/dbraw/zinc/37/21/05/352372105.db2.gz FAOXJPHZWKMHLV-NEPJUHHUSA-N 2 2 254.378 -0.510 20 0 CBADLP CN1CC[N@H+](C)[C@H](CNC(=O)C[C@H]2CSCC[NH2+]2)C1 ZINC000250412109 352372142 /nfs/dbraw/zinc/37/21/42/352372142.db2.gz WSLCLIAHWUGMMX-NWDGAFQWSA-N 2 2 286.445 -0.557 20 0 CBADLP CN1CC[N@@H+](C)[C@H](CNC(=O)C[C@H]2CSCC[NH2+]2)C1 ZINC000250412109 352372146 /nfs/dbraw/zinc/37/21/46/352372146.db2.gz WSLCLIAHWUGMMX-NWDGAFQWSA-N 2 2 286.445 -0.557 20 0 CBADLP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000251061080 352374392 /nfs/dbraw/zinc/37/43/92/352374392.db2.gz VRDPQOCCRVUKJA-ZJUUUORDSA-N 2 2 256.350 -0.238 20 0 CBADLP CNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000251061080 352374395 /nfs/dbraw/zinc/37/43/95/352374395.db2.gz VRDPQOCCRVUKJA-ZJUUUORDSA-N 2 2 256.350 -0.238 20 0 CBADLP CC[C@H](C)[C@H](NC(=O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)C(=O)OC ZINC000252453465 352377465 /nfs/dbraw/zinc/37/74/65/352377465.db2.gz LAWYKTVBPUWBOY-SFTQSGBHSA-N 2 2 297.399 -0.159 20 0 CBADLP C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCCCC[NH2+]2)C1 ZINC000252541327 352378411 /nfs/dbraw/zinc/37/84/11/352378411.db2.gz DRMIVZOUEYEJMG-VXGBXAGGSA-N 2 2 255.362 -0.035 20 0 CBADLP C[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCCCC[NH2+]2)C1 ZINC000252541327 352378413 /nfs/dbraw/zinc/37/84/13/352378413.db2.gz DRMIVZOUEYEJMG-VXGBXAGGSA-N 2 2 255.362 -0.035 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000252697932 352379342 /nfs/dbraw/zinc/37/93/42/352379342.db2.gz KGEPUXWNJNVNNF-NEPJUHHUSA-N 2 2 284.404 -0.360 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000252697932 352379347 /nfs/dbraw/zinc/37/93/47/352379347.db2.gz KGEPUXWNJNVNNF-NEPJUHHUSA-N 2 2 284.404 -0.360 20 0 CBADLP C[C@]1(C[NH3+])CC[N@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000261569937 352387781 /nfs/dbraw/zinc/38/77/81/352387781.db2.gz KDPYXKDTGRTZGF-GFCCVEGCSA-N 2 2 254.334 -0.355 20 0 CBADLP C[C@]1(C[NH3+])CC[N@@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000261569937 352387786 /nfs/dbraw/zinc/38/77/86/352387786.db2.gz KDPYXKDTGRTZGF-GFCCVEGCSA-N 2 2 254.334 -0.355 20 0 CBADLP O=C(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CCOCC1 ZINC000261585204 352388839 /nfs/dbraw/zinc/38/88/39/352388839.db2.gz SVAIBNVMHKICCY-NEPJUHHUSA-N 2 2 253.346 -0.614 20 0 CBADLP O=C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CCOCC1 ZINC000261585204 352388843 /nfs/dbraw/zinc/38/88/43/352388843.db2.gz SVAIBNVMHKICCY-NEPJUHHUSA-N 2 2 253.346 -0.614 20 0 CBADLP CCCNC(=O)NC(=O)C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261582222 352389140 /nfs/dbraw/zinc/38/91/40/352389140.db2.gz RAVMASSMTWTPDO-LBPRGKRZSA-N 2 2 256.350 -0.107 20 0 CBADLP CCCNC(=O)NC(=O)C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261582222 352389146 /nfs/dbraw/zinc/38/91/46/352389146.db2.gz RAVMASSMTWTPDO-LBPRGKRZSA-N 2 2 256.350 -0.107 20 0 CBADLP O=C(C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1)N1CCOCC1 ZINC000261588998 352389413 /nfs/dbraw/zinc/38/94/13/352389413.db2.gz WAUPIFBYAYJYNB-ZDUSSCGKSA-N 2 2 253.346 -0.469 20 0 CBADLP O=C(C[N@H+]1CC[C@]2(CC[NH2+]C2)C1)N1CCOCC1 ZINC000261588998 352389417 /nfs/dbraw/zinc/38/94/17/352389417.db2.gz WAUPIFBYAYJYNB-ZDUSSCGKSA-N 2 2 253.346 -0.469 20 0 CBADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261589875 352389542 /nfs/dbraw/zinc/38/95/42/352389542.db2.gz LBIWKGCSIRMVCK-HBNTYKKESA-N 2 2 268.361 -0.238 20 0 CBADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261589875 352389547 /nfs/dbraw/zinc/38/95/47/352389547.db2.gz LBIWKGCSIRMVCK-HBNTYKKESA-N 2 2 268.361 -0.238 20 0 CBADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261589873 352389887 /nfs/dbraw/zinc/38/98/87/352389887.db2.gz LBIWKGCSIRMVCK-GARJFASQSA-N 2 2 268.361 -0.238 20 0 CBADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261589873 352389888 /nfs/dbraw/zinc/38/98/88/352389888.db2.gz LBIWKGCSIRMVCK-GARJFASQSA-N 2 2 268.361 -0.238 20 0 CBADLP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261587412 352390068 /nfs/dbraw/zinc/39/00/68/352390068.db2.gz VAXDSYSBVWCAFX-AEJSXWLSSA-N 2 2 254.334 -0.628 20 0 CBADLP CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261587412 352390071 /nfs/dbraw/zinc/39/00/71/352390071.db2.gz VAXDSYSBVWCAFX-AEJSXWLSSA-N 2 2 254.334 -0.628 20 0 CBADLP CC(=O)N1CCN(C(=O)C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000261598916 352390919 /nfs/dbraw/zinc/39/09/19/352390919.db2.gz BANGIDJPIOAZBO-KBPBESRZSA-N 2 2 294.399 -0.782 20 0 CBADLP CC(=O)N1CCN(C(=O)C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000261598916 352390924 /nfs/dbraw/zinc/39/09/24/352390924.db2.gz BANGIDJPIOAZBO-KBPBESRZSA-N 2 2 294.399 -0.782 20 0 CBADLP O=C(C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1)N1CCCCC1 ZINC000261657568 352392596 /nfs/dbraw/zinc/39/25/96/352392596.db2.gz DVLRWVVZJAEDCU-CQSZACIVSA-N 2 2 280.416 -0.022 20 0 CBADLP C[C@@]1(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CC[NH2+]C1 ZINC000261747759 352394850 /nfs/dbraw/zinc/39/48/50/352394850.db2.gz JGOYIXJXHUTKSM-UKRRQHHQSA-N 3 2 280.416 -0.118 20 0 CBADLP C[C@@]1(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CC[NH2+]C1 ZINC000261747759 352394854 /nfs/dbraw/zinc/39/48/54/352394854.db2.gz JGOYIXJXHUTKSM-UKRRQHHQSA-N 3 2 280.416 -0.118 20 0 CBADLP C[C@]1(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CC[NH2+]C1 ZINC000261747757 352395188 /nfs/dbraw/zinc/39/51/88/352395188.db2.gz JGOYIXJXHUTKSM-HIFRSBDPSA-N 3 2 280.416 -0.118 20 0 CBADLP C[C@]1(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CC[NH2+]C1 ZINC000261747757 352395190 /nfs/dbraw/zinc/39/51/90/352395190.db2.gz JGOYIXJXHUTKSM-HIFRSBDPSA-N 3 2 280.416 -0.118 20 0 CBADLP Cn1c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc(=O)n(C)c1=O ZINC000261754306 352395513 /nfs/dbraw/zinc/39/55/13/352395513.db2.gz NDEQRCBLCOPYPA-WDEREUQCSA-N 2 2 278.356 -0.875 20 0 CBADLP Cn1c(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc(=O)n(C)c1=O ZINC000261754306 352395516 /nfs/dbraw/zinc/39/55/16/352395516.db2.gz NDEQRCBLCOPYPA-WDEREUQCSA-N 2 2 278.356 -0.875 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261763792 352395698 /nfs/dbraw/zinc/39/56/98/352395698.db2.gz VFZDBXWWGPHQAZ-CHWSQXEVSA-N 2 2 296.415 -0.488 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261763792 352395701 /nfs/dbraw/zinc/39/57/01/352395701.db2.gz VFZDBXWWGPHQAZ-CHWSQXEVSA-N 2 2 296.415 -0.488 20 0 CBADLP Cn1cc(C[NH+]2CCN(C(=O)[C@H]3CCC[NH2+]3)CC2)cn1 ZINC000261778016 352396006 /nfs/dbraw/zinc/39/60/06/352396006.db2.gz SYXKZCFZKMWWKK-CYBMUJFWSA-N 2 2 277.372 -0.184 20 0 CBADLP CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261766635 352396249 /nfs/dbraw/zinc/39/62/49/352396249.db2.gz VMKNHWNIHCEWNV-NEPJUHHUSA-N 2 2 297.403 -0.800 20 0 CBADLP COCC1(C(=O)NC[C@H](C)[NH+]2CCOCC2)CC[NH2+]CC1 ZINC000262310818 352415727 /nfs/dbraw/zinc/41/57/27/352415727.db2.gz AJGXBIVZPUNFBZ-ZDUSSCGKSA-N 2 2 299.415 -0.161 20 0 CBADLP C[NH+](C)C1CC[NH+](CCNC(=O)C[C@H]2COCC[NH2+]2)CC1 ZINC000262324668 352416482 /nfs/dbraw/zinc/41/64/82/352416482.db2.gz FUHCWPFBJIKFFT-ZDUSSCGKSA-N 3 2 298.431 -0.493 20 0 CBADLP C[C@H](C[NH3+])C(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000262336341 352417199 /nfs/dbraw/zinc/41/71/99/352417199.db2.gz HIPDZGTXBPYLHD-GRYCIOLGSA-N 2 2 255.362 -0.240 20 0 CBADLP COC[C@@H]([NH3+])C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000262380072 352419467 /nfs/dbraw/zinc/41/94/67/352419467.db2.gz XSNSWKKBBYHVAD-WDEREUQCSA-N 2 2 264.329 -0.250 20 0 CBADLP CCOCC[NH+]1CCN(C(=O)C[C@H]2COCC[NH2+]2)CC1 ZINC000262408334 352419979 /nfs/dbraw/zinc/41/99/79/352419979.db2.gz QIUZCBASXSYJNU-ZDUSSCGKSA-N 2 2 285.388 -0.454 20 0 CBADLP C[NH2+]CCC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000262445947 352421418 /nfs/dbraw/zinc/42/14/18/352421418.db2.gz VJFVYLOFGHRWHR-UHFFFAOYSA-N 2 2 256.350 -0.996 20 0 CBADLP CN(C)c1[nH+]cc(CNC(=O)C[C@@H]2COCC[NH2+]2)n1C ZINC000262469160 352423314 /nfs/dbraw/zinc/42/33/14/352423314.db2.gz YCVUBQNJEFOXIB-SNVBAGLBSA-N 2 2 281.360 -0.519 20 0 CBADLP C[C@@H](C[NH3+])NC(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000262513883 352424327 /nfs/dbraw/zinc/42/43/27/352424327.db2.gz FMKPRUVYEYTUBP-LBPRGKRZSA-N 2 2 277.372 -0.333 20 0 CBADLP CCC[C@](C)([NH3+])C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000262600502 352427722 /nfs/dbraw/zinc/42/77/22/352427722.db2.gz YJJOMFRXPHDJDY-OCCSQVGLSA-N 2 2 287.404 -0.345 20 0 CBADLP O=C([C@@H]1CSC[NH2+]1)N1CC[NH+](C2CCOCC2)CC1 ZINC000262636852 352429420 /nfs/dbraw/zinc/42/94/20/352429420.db2.gz GMFCSXKQACUTKJ-LBPRGKRZSA-N 2 2 285.413 -0.028 20 0 CBADLP CN(C)c1[nH+]cccc1CNC(=O)[C@H]1COCC[NH2+]1 ZINC000262664700 352430762 /nfs/dbraw/zinc/43/07/62/352430762.db2.gz INTQFCHVBSCWOO-LLVKDONJSA-N 2 2 264.329 -0.248 20 0 CBADLP C[C@@H]1CN(C(=O)C2([NH3+])CC2)C[C@@H]1[NH+]1CCOCC1 ZINC000262696727 352431441 /nfs/dbraw/zinc/43/14/41/352431441.db2.gz FEVFXAHHPUIBMS-MNOVXSKESA-N 2 2 253.346 -0.343 20 0 CBADLP Cn1cc(C(=O)NCC2CC[NH+](CC[NH3+])CC2)cn1 ZINC000263089852 352437977 /nfs/dbraw/zinc/43/79/77/352437977.db2.gz YIFDCJUFUMRJAB-UHFFFAOYSA-N 2 2 265.361 -0.179 20 0 CBADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263245730 352440024 /nfs/dbraw/zinc/44/00/24/352440024.db2.gz PFYYACHLHPNASM-WDEREUQCSA-N 2 2 290.358 -0.264 20 0 CBADLP Cc1cc(N2CC[NH2+][C@@H](C(N)=O)C2)nc(C2CC2)[nH+]1 ZINC000265354128 352446725 /nfs/dbraw/zinc/44/67/25/352446725.db2.gz KULZTIMGYOQFGV-SNVBAGLBSA-N 2 2 261.329 -0.074 20 0 CBADLP CN(C)c1[nH+]cc(CNC(=O)[C@H]2CSC[NH2+]2)n1C ZINC000269265450 352464997 /nfs/dbraw/zinc/46/49/97/352464997.db2.gz OVVOBBLNSGWFOT-SECBINFHSA-N 2 2 269.374 -0.235 20 0 CBADLP Cc1[nH+]ccn1CC[N@@H+](C)CC(=O)N1CCOCC1 ZINC000270689498 352497872 /nfs/dbraw/zinc/49/78/72/352497872.db2.gz XBYGMESEZCBZSL-UHFFFAOYSA-N 2 2 266.345 -0.018 20 0 CBADLP Cc1[nH+]ccn1CC[N@H+](C)CC(=O)N1CCOCC1 ZINC000270689498 352497877 /nfs/dbraw/zinc/49/78/77/352497877.db2.gz XBYGMESEZCBZSL-UHFFFAOYSA-N 2 2 266.345 -0.018 20 0 CBADLP Cc1[nH+]ccn1CC[NH+]1CCN(C(=O)[C@@H](C)O)CC1 ZINC000270938994 352504705 /nfs/dbraw/zinc/50/47/05/352504705.db2.gz YGCXMZZPDLZQHL-LLVKDONJSA-N 2 2 266.345 -0.283 20 0 CBADLP Cn1cc(C[N@@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)c(=O)n(C)c1=O ZINC000271187103 352510010 /nfs/dbraw/zinc/51/00/10/352510010.db2.gz NTKBQFKWCLEFRH-CMPLNLGQSA-N 2 2 278.356 -0.732 20 0 CBADLP Cn1cc(C[N@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)c(=O)n(C)c1=O ZINC000271187103 352510012 /nfs/dbraw/zinc/51/00/12/352510012.db2.gz NTKBQFKWCLEFRH-CMPLNLGQSA-N 2 2 278.356 -0.732 20 0 CBADLP C[C@H](O)C[N@@H+]1CCN(C(=O)NCCn2cc[nH+]c2)[C@H](C)C1 ZINC000286989025 352651356 /nfs/dbraw/zinc/65/13/56/352651356.db2.gz FUNYXIFGSQKINI-OLZOCXBDSA-N 2 2 295.387 -0.020 20 0 CBADLP C[C@H](O)C[N@H+]1CCN(C(=O)NCCn2cc[nH+]c2)[C@H](C)C1 ZINC000286989025 352651358 /nfs/dbraw/zinc/65/13/58/352651358.db2.gz FUNYXIFGSQKINI-OLZOCXBDSA-N 2 2 295.387 -0.020 20 0 CBADLP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NCCn1cc[nH+]c1 ZINC000283276341 352622173 /nfs/dbraw/zinc/62/21/73/352622173.db2.gz GHUJBFNGBSWLLE-GFCCVEGCSA-N 2 2 295.387 -0.154 20 0 CBADLP CC[NH+](CC)CCNC(=O)C(=O)N(C)Cc1[nH+]ccn1C ZINC000283636711 352627857 /nfs/dbraw/zinc/62/78/57/352627857.db2.gz BZKRHFPKIPGLPR-UHFFFAOYSA-N 2 2 295.387 -0.164 20 0 CBADLP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NCCn1cc[nH+]c1 ZINC000284022643 352633915 /nfs/dbraw/zinc/63/39/15/352633915.db2.gz QDUWSVCRZYCXBD-GFCCVEGCSA-N 2 2 295.387 -0.154 20 0 CBADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NCCn1cc[nH+]c1 ZINC000284022643 352633916 /nfs/dbraw/zinc/63/39/16/352633916.db2.gz QDUWSVCRZYCXBD-GFCCVEGCSA-N 2 2 295.387 -0.154 20 0 CBADLP CC[NH+](CC)CCCNC(=O)C(=O)NCCn1cc[nH+]c1 ZINC000284092957 352634532 /nfs/dbraw/zinc/63/45/32/352634532.db2.gz UXDHDLVKTYLKPW-UHFFFAOYSA-N 2 2 295.387 -0.153 20 0 CBADLP C[NH+](C)CCn1nccc1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000294115067 352701609 /nfs/dbraw/zinc/70/16/09/352701609.db2.gz PHBWDOJBDPZRQZ-NSHDSACASA-N 2 2 281.360 -0.286 20 0 CBADLP C[NH+](C)CCn1nccc1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000294115067 352701614 /nfs/dbraw/zinc/70/16/14/352701614.db2.gz PHBWDOJBDPZRQZ-NSHDSACASA-N 2 2 281.360 -0.286 20 0 CBADLP Cn1cc(C[N@H+](C)CCCn2cc[nH+]c2)c(=O)n(C)c1=O ZINC000290649430 352678104 /nfs/dbraw/zinc/67/81/04/352678104.db2.gz YZWCQBACWFHMLJ-UHFFFAOYSA-N 2 2 291.355 -0.197 20 0 CBADLP Cn1cc(C[N@@H+](C)CCCn2cc[nH+]c2)c(=O)n(C)c1=O ZINC000290649430 352678107 /nfs/dbraw/zinc/67/81/07/352678107.db2.gz YZWCQBACWFHMLJ-UHFFFAOYSA-N 2 2 291.355 -0.197 20 0 CBADLP CC[C@H](C)[N@H+](C)CCNC[C@H](O)C[NH+]1CCOCC1 ZINC000300669369 352734363 /nfs/dbraw/zinc/73/43/63/352734363.db2.gz WOZNXNXRUIDHPS-KBPBESRZSA-N 2 2 273.421 -0.001 20 0 CBADLP CC[C@H](C)[N@@H+](C)CCNC[C@H](O)C[NH+]1CCOCC1 ZINC000300669369 352734366 /nfs/dbraw/zinc/73/43/66/352734366.db2.gz WOZNXNXRUIDHPS-KBPBESRZSA-N 2 2 273.421 -0.001 20 0 CBADLP COCC[NH+]1CCN(c2cc[nH+]cc2C(N)=O)CC1 ZINC000302244504 352739892 /nfs/dbraw/zinc/73/98/92/352739892.db2.gz ZMMDMTJDMYPWEC-UHFFFAOYSA-N 2 2 264.329 -0.051 20 0 CBADLP C[NH+](C)[C@H]1CCCN(C[C@H](O)C[NH+]2CCOCC2)C1 ZINC000304060955 352745173 /nfs/dbraw/zinc/74/51/73/352745173.db2.gz PAJNJGGXBHYJNR-UONOGXRCSA-N 2 2 271.405 -0.295 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)CC1(O)CCOCC1 ZINC000312877631 352775880 /nfs/dbraw/zinc/77/58/80/352775880.db2.gz ZIUOMOYFNSIBFB-ZDUSSCGKSA-N 2 2 290.404 -0.601 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)CC1(O)CCOCC1 ZINC000312877631 352775882 /nfs/dbraw/zinc/77/58/82/352775882.db2.gz ZIUOMOYFNSIBFB-ZDUSSCGKSA-N 2 2 290.404 -0.601 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)CC1(O)CCOCC1 ZINC000312877631 352775885 /nfs/dbraw/zinc/77/58/85/352775885.db2.gz ZIUOMOYFNSIBFB-ZDUSSCGKSA-N 2 2 290.404 -0.601 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)CC1(O)CCOCC1 ZINC000312877631 352775889 /nfs/dbraw/zinc/77/58/89/352775889.db2.gz ZIUOMOYFNSIBFB-ZDUSSCGKSA-N 2 2 290.404 -0.601 20 0 CBADLP CC[C@@H](CO)[NH+]1CCN(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000305433839 352748736 /nfs/dbraw/zinc/74/87/36/352748736.db2.gz GQAKMACCEFPTIH-AWEZNQCLSA-N 2 2 298.431 -0.851 20 0 CBADLP C[NH+](C)CC(C)(C)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000308634682 352754324 /nfs/dbraw/zinc/75/43/24/352754324.db2.gz FLFPHTBWUFWFHB-GFCCVEGCSA-N 2 2 259.394 -0.391 20 0 CBADLP C[C@@H]1[C@H]([NH2+]C[C@H](O)C[N@H+](C)C2CC2)CCS1(=O)=O ZINC000310917802 352763335 /nfs/dbraw/zinc/76/33/35/352763335.db2.gz ZPERFZQJEBYQLG-ADEWGFFLSA-N 2 2 276.402 -0.393 20 0 CBADLP C[C@@H]1[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)CCS1(=O)=O ZINC000310917802 352763337 /nfs/dbraw/zinc/76/33/37/352763337.db2.gz ZPERFZQJEBYQLG-ADEWGFFLSA-N 2 2 276.402 -0.393 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](O)[C@@H](C)C1 ZINC000310962348 352764380 /nfs/dbraw/zinc/76/43/80/352764380.db2.gz ATNSDBOUESXBNK-AVGNSLFASA-N 2 2 260.378 -0.372 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](O)[C@@H](C)C1 ZINC000310962348 352764383 /nfs/dbraw/zinc/76/43/83/352764383.db2.gz ATNSDBOUESXBNK-AVGNSLFASA-N 2 2 260.378 -0.372 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](O)[C@@H](C)C1 ZINC000310962348 352764384 /nfs/dbraw/zinc/76/43/84/352764384.db2.gz ATNSDBOUESXBNK-AVGNSLFASA-N 2 2 260.378 -0.372 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](O)[C@@H](C)C1 ZINC000310962348 352764386 /nfs/dbraw/zinc/76/43/86/352764386.db2.gz ATNSDBOUESXBNK-AVGNSLFASA-N 2 2 260.378 -0.372 20 0 CBADLP C[C@@H]1[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)CCS1(=O)=O ZINC000310924039 352764391 /nfs/dbraw/zinc/76/43/91/352764391.db2.gz AXWONZQJYCQMDC-IJLUTSLNSA-N 2 2 276.402 -0.392 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCCN(C(C)=O)CC1 ZINC000311037498 352764819 /nfs/dbraw/zinc/76/48/19/352764819.db2.gz OJXXMLBSPLUYAP-CYBMUJFWSA-N 2 2 257.378 -0.147 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCN(C(C)=O)CC1 ZINC000311037498 352764822 /nfs/dbraw/zinc/76/48/22/352764822.db2.gz OJXXMLBSPLUYAP-CYBMUJFWSA-N 2 2 257.378 -0.147 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCCN(C(C)=O)CC1 ZINC000311037498 352764824 /nfs/dbraw/zinc/76/48/24/352764824.db2.gz OJXXMLBSPLUYAP-CYBMUJFWSA-N 2 2 257.378 -0.147 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCCN(C(C)=O)CC1 ZINC000311037498 352764828 /nfs/dbraw/zinc/76/48/28/352764828.db2.gz OJXXMLBSPLUYAP-CYBMUJFWSA-N 2 2 257.378 -0.147 20 0 CBADLP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CCCS(=O)(=O)C1)C1CC1 ZINC000311206939 352767345 /nfs/dbraw/zinc/76/73/45/352767345.db2.gz JSGOOVJUZNNGCI-ZYHUDNBSSA-N 2 2 276.402 -0.392 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CCCS(=O)(=O)C1)C1CC1 ZINC000311206939 352767348 /nfs/dbraw/zinc/76/73/48/352767348.db2.gz JSGOOVJUZNNGCI-ZYHUDNBSSA-N 2 2 276.402 -0.392 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](NC(C)=O)C1 ZINC000311648051 352769402 /nfs/dbraw/zinc/76/94/02/352769402.db2.gz CLOISAVKVFRLBO-QWHCGFSZSA-N 2 2 273.377 -0.864 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](NC(C)=O)C1 ZINC000311648051 352769407 /nfs/dbraw/zinc/76/94/07/352769407.db2.gz CLOISAVKVFRLBO-QWHCGFSZSA-N 2 2 273.377 -0.864 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](NC(C)=O)C1 ZINC000311648051 352769409 /nfs/dbraw/zinc/76/94/09/352769409.db2.gz CLOISAVKVFRLBO-QWHCGFSZSA-N 2 2 273.377 -0.864 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](NC(C)=O)C1 ZINC000311648051 352769411 /nfs/dbraw/zinc/76/94/11/352769411.db2.gz CLOISAVKVFRLBO-QWHCGFSZSA-N 2 2 273.377 -0.864 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000311722624 352770470 /nfs/dbraw/zinc/77/04/70/352770470.db2.gz PPSYOLCZSPNBMF-XUXIUFHCSA-N 2 2 272.389 -0.372 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000311722624 352770471 /nfs/dbraw/zinc/77/04/71/352770471.db2.gz PPSYOLCZSPNBMF-XUXIUFHCSA-N 2 2 272.389 -0.372 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000311722624 352770472 /nfs/dbraw/zinc/77/04/72/352770472.db2.gz PPSYOLCZSPNBMF-XUXIUFHCSA-N 2 2 272.389 -0.372 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000311722624 352770474 /nfs/dbraw/zinc/77/04/74/352770474.db2.gz PPSYOLCZSPNBMF-XUXIUFHCSA-N 2 2 272.389 -0.372 20 0 CBADLP CC(=O)N1CCC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000311875880 352771432 /nfs/dbraw/zinc/77/14/32/352771432.db2.gz MIKYRSZTPHOFQF-CQSZACIVSA-N 2 2 269.389 -0.004 20 0 CBADLP CC(=O)N1CCC[NH+](C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000311875880 352771439 /nfs/dbraw/zinc/77/14/39/352771439.db2.gz MIKYRSZTPHOFQF-CQSZACIVSA-N 2 2 269.389 -0.004 20 0 CBADLP CC(=O)N1CCC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)CC1 ZINC000311875880 352771442 /nfs/dbraw/zinc/77/14/42/352771442.db2.gz MIKYRSZTPHOFQF-CQSZACIVSA-N 2 2 269.389 -0.004 20 0 CBADLP CC(=O)N1CCC[N@H+](C[C@H](O)C[NH+](C)C2CC2)CC1 ZINC000311875880 352771445 /nfs/dbraw/zinc/77/14/45/352771445.db2.gz MIKYRSZTPHOFQF-CQSZACIVSA-N 2 2 269.389 -0.004 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000313168521 352777301 /nfs/dbraw/zinc/77/73/01/352777301.db2.gz UHRYWBKRYAJTCD-AGIUHOORSA-N 2 2 287.404 -0.489 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000313168521 352777304 /nfs/dbraw/zinc/77/73/04/352777304.db2.gz UHRYWBKRYAJTCD-AGIUHOORSA-N 2 2 287.404 -0.489 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000313168521 352777307 /nfs/dbraw/zinc/77/73/07/352777307.db2.gz UHRYWBKRYAJTCD-AGIUHOORSA-N 2 2 287.404 -0.489 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000313168521 352777309 /nfs/dbraw/zinc/77/73/09/352777309.db2.gz UHRYWBKRYAJTCD-AGIUHOORSA-N 2 2 287.404 -0.489 20 0 CBADLP COCC[N@@H+]1CC[C@@H]([NH2+]CCCNS(C)(=O)=O)C1 ZINC000328219965 352783136 /nfs/dbraw/zinc/78/31/36/352783136.db2.gz YCGGHNXCTCQMJF-LLVKDONJSA-N 2 2 279.406 -0.764 20 0 CBADLP COCC[N@H+]1CC[C@@H]([NH2+]CCCNS(C)(=O)=O)C1 ZINC000328219965 352783137 /nfs/dbraw/zinc/78/31/37/352783137.db2.gz YCGGHNXCTCQMJF-LLVKDONJSA-N 2 2 279.406 -0.764 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCn3cnnc3C2)CC1 ZINC000328666790 352786084 /nfs/dbraw/zinc/78/60/84/352786084.db2.gz DBQGOJRGQFPIJD-UHFFFAOYSA-N 2 2 278.360 -0.742 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCn3cnnc3C2)CC1 ZINC000328666790 352786088 /nfs/dbraw/zinc/78/60/88/352786088.db2.gz DBQGOJRGQFPIJD-UHFFFAOYSA-N 2 2 278.360 -0.742 20 0 CBADLP CO[C@@H](CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])C(C)C ZINC000576492205 335211442 /nfs/dbraw/zinc/21/14/42/335211442.db2.gz BLHJISCMTCCVEL-NEPJUHHUSA-N 2 2 272.393 -0.058 20 0 CBADLP COCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000330965689 352860701 /nfs/dbraw/zinc/86/07/01/352860701.db2.gz RJVCZYTUIWRHKH-NWDGAFQWSA-N 2 2 271.361 -0.846 20 0 CBADLP COCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000330965689 352860703 /nfs/dbraw/zinc/86/07/03/352860703.db2.gz RJVCZYTUIWRHKH-NWDGAFQWSA-N 2 2 271.361 -0.846 20 0 CBADLP COCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000330965689 352860705 /nfs/dbraw/zinc/86/07/05/352860705.db2.gz RJVCZYTUIWRHKH-NWDGAFQWSA-N 2 2 271.361 -0.846 20 0 CBADLP COCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000330965689 352860707 /nfs/dbraw/zinc/86/07/07/352860707.db2.gz RJVCZYTUIWRHKH-NWDGAFQWSA-N 2 2 271.361 -0.846 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000330535498 352842454 /nfs/dbraw/zinc/84/24/54/352842454.db2.gz VVXXIMIYSLRSAL-GFCCVEGCSA-N 2 2 284.404 -0.395 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000330535498 352842456 /nfs/dbraw/zinc/84/24/56/352842456.db2.gz VVXXIMIYSLRSAL-GFCCVEGCSA-N 2 2 284.404 -0.395 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)[N@H+](C)C1 ZINC000330557983 352847468 /nfs/dbraw/zinc/84/74/68/352847468.db2.gz WVKZPDCQPUTOGG-RFGFWPKPSA-N 2 2 299.415 -0.069 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)[N@@H+](C)C1 ZINC000330557983 352847472 /nfs/dbraw/zinc/84/74/72/352847472.db2.gz WVKZPDCQPUTOGG-RFGFWPKPSA-N 2 2 299.415 -0.069 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)[N@H+](C)C1 ZINC000330557982 352847675 /nfs/dbraw/zinc/84/76/75/352847675.db2.gz WVKZPDCQPUTOGG-MQYQWHSLSA-N 2 2 299.415 -0.069 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)[N@@H+](C)C1 ZINC000330557982 352847677 /nfs/dbraw/zinc/84/76/77/352847677.db2.gz WVKZPDCQPUTOGG-MQYQWHSLSA-N 2 2 299.415 -0.069 20 0 CBADLP OC[C@H](O)C[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000331225527 352893716 /nfs/dbraw/zinc/89/37/16/352893716.db2.gz CGTPQHLPSVJPSF-CQSZACIVSA-N 2 2 265.357 -0.011 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H](CO)C(C)(C)C)CC1 ZINC000331304719 352904026 /nfs/dbraw/zinc/90/40/26/352904026.db2.gz UIFYQQGGZDVSIL-NSHDSACASA-N 2 2 257.378 -0.243 20 0 CBADLP C[C@H]1CN(C(=O)C(=O)N2CCn3cc[nH+]c3C2)C[C@H](C)[NH2+]1 ZINC000332668741 352974509 /nfs/dbraw/zinc/97/45/09/352974509.db2.gz MLLDJPNWTWSVQT-QWRGUYRKSA-N 2 2 291.355 -0.566 20 0 CBADLP C[C@@H]1CN(C(=O)C(=O)N2CCn3c[nH+]cc3C2)C[C@H](C)[NH2+]1 ZINC000332727740 352979594 /nfs/dbraw/zinc/97/95/94/352979594.db2.gz YUSNTYABWBHPOG-PHIMTYICSA-N 2 2 291.355 -0.566 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000332820383 352987719 /nfs/dbraw/zinc/98/77/19/352987719.db2.gz KBOBFBJLJDUEJK-STQMWFEESA-N 2 2 294.403 -0.183 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000332820383 352987723 /nfs/dbraw/zinc/98/77/23/352987723.db2.gz KBOBFBJLJDUEJK-STQMWFEESA-N 2 2 294.403 -0.183 20 0 CBADLP CN1CC[N@H+](C)[C@@H](CNC(=O)NC[C@@H]2CCC[NH+]2C)C1 ZINC000332819827 352987750 /nfs/dbraw/zinc/98/77/50/352987750.db2.gz GPJCTKXOSCBFHL-STQMWFEESA-N 2 2 283.420 -0.374 20 0 CBADLP CN1CC[N@@H+](C)[C@@H](CNC(=O)NC[C@@H]2CCC[NH+]2C)C1 ZINC000332819827 352987753 /nfs/dbraw/zinc/98/77/53/352987753.db2.gz GPJCTKXOSCBFHL-STQMWFEESA-N 2 2 283.420 -0.374 20 0 CBADLP CN1CC[NH+](C)[C@@H](CNC(=O)NC[C@@H]2CCC[N@@H+]2C)C1 ZINC000332819827 352987756 /nfs/dbraw/zinc/98/77/56/352987756.db2.gz GPJCTKXOSCBFHL-STQMWFEESA-N 2 2 283.420 -0.374 20 0 CBADLP CN1CC[NH+](C)[C@@H](CNC(=O)NC[C@@H]2CCC[N@H+]2C)C1 ZINC000332819827 352987760 /nfs/dbraw/zinc/98/77/60/352987760.db2.gz GPJCTKXOSCBFHL-STQMWFEESA-N 2 2 283.420 -0.374 20 0 CBADLP C[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000332183047 352939555 /nfs/dbraw/zinc/93/95/55/352939555.db2.gz PCJRPWJLYCUEGW-XQQFMLRXSA-N 2 2 294.399 -0.654 20 0 CBADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CC[NH+](CCO)CC1)C2 ZINC000332591044 352968111 /nfs/dbraw/zinc/96/81/11/352968111.db2.gz NGRMZKZJDOUTET-ZDUSSCGKSA-N 2 2 292.383 -0.110 20 0 CBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC000333005437 352996315 /nfs/dbraw/zinc/99/63/15/352996315.db2.gz DUCZWJTZZZLFNG-STQMWFEESA-N 2 2 285.388 -0.768 20 0 CBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CCC[N@H+]1C ZINC000333005437 352996318 /nfs/dbraw/zinc/99/63/18/352996318.db2.gz DUCZWJTZZZLFNG-STQMWFEESA-N 2 2 285.388 -0.768 20 0 CBADLP Cc1nc(N2CCN(C(=O)N[C@H]3CC[NH2+]C3)CC2)cc[nH+]1 ZINC000333484445 353001577 /nfs/dbraw/zinc/00/15/77/353001577.db2.gz CMTOVPOMVPFMNB-LBPRGKRZSA-N 2 2 290.371 -0.021 20 0 CBADLP C[C@H]1CN(c2cc(N3CCN(C)C(=O)C3)[nH+]cn2)CC[NH2+]1 ZINC000333502370 353001588 /nfs/dbraw/zinc/00/15/88/353001588.db2.gz HZEPBZBNYPVRNP-NSHDSACASA-N 2 2 290.371 -0.447 20 0 CBADLP C[C@H]1C[NH2+]CCN1c1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000333492168 353001657 /nfs/dbraw/zinc/00/16/57/353001657.db2.gz GVWDZTCLRAYGJH-NSHDSACASA-N 2 2 290.371 -0.447 20 0 CBADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000333585343 353004041 /nfs/dbraw/zinc/00/40/41/353004041.db2.gz OAOIZCAPOJKHCX-GRYCIOLGSA-N 2 2 270.377 -0.386 20 0 CBADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000333585343 353004044 /nfs/dbraw/zinc/00/40/44/353004044.db2.gz OAOIZCAPOJKHCX-GRYCIOLGSA-N 2 2 270.377 -0.386 20 0 CBADLP C[C@H]1CN(C(=O)NCC2([NH+]3CCOCC3)CC2)C[C@@H]1[NH3+] ZINC000333717673 353008783 /nfs/dbraw/zinc/00/87/83/353008783.db2.gz GEJROAFXBJNZQH-RYUDHWBXSA-N 2 2 282.388 -0.160 20 0 CBADLP C[C@@H]1CN(C(=O)NCC2([NH+]3CCOCC3)CC2)C[C@@H]1[NH3+] ZINC000333717666 353008835 /nfs/dbraw/zinc/00/88/35/353008835.db2.gz GEJROAFXBJNZQH-NEPJUHHUSA-N 2 2 282.388 -0.160 20 0 CBADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CC(=O)NCC(=O)N1CCCC1 ZINC000333738357 353009117 /nfs/dbraw/zinc/00/91/17/353009117.db2.gz XFAPVYBESIGHPQ-TYNCELHUSA-N 2 2 296.415 -0.299 20 0 CBADLP C[C@H]1CN(C(=O)NCC2([NH+]3CCOCC3)CC2)CC[NH2+]1 ZINC000333860253 353012898 /nfs/dbraw/zinc/01/28/98/353012898.db2.gz ZDJMXEMHHYYREI-LBPRGKRZSA-N 2 2 282.388 -0.146 20 0 CBADLP CCCCNC(=O)C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000336809464 353058410 /nfs/dbraw/zinc/05/84/10/353058410.db2.gz FNHRTRQNSKIEDT-ZDUSSCGKSA-N 2 2 268.405 -0.118 20 0 CBADLP Cc1ccc(CNC(=O)C[N@H+](C)C[C@H](O)C[NH3+])cc1 ZINC000336816113 353059125 /nfs/dbraw/zinc/05/91/25/353059125.db2.gz KOPTXYTWTFWJNM-CYBMUJFWSA-N 2 2 265.357 -0.137 20 0 CBADLP Cc1ccc(CNC(=O)C[N@@H+](C)C[C@H](O)C[NH3+])cc1 ZINC000336816113 353059128 /nfs/dbraw/zinc/05/91/28/353059128.db2.gz KOPTXYTWTFWJNM-CYBMUJFWSA-N 2 2 265.357 -0.137 20 0 CBADLP CC(C)[N@H+](CCOCCO)CC(=O)N1CC[NH+](C)CC1 ZINC000336833381 353061996 /nfs/dbraw/zinc/06/19/96/353061996.db2.gz YMVNFGLWWZEUBA-UHFFFAOYSA-N 2 2 287.404 -0.520 20 0 CBADLP CC(C)[N@@H+](CCOCCO)CC(=O)N1CC[NH+](C)CC1 ZINC000336833381 353061998 /nfs/dbraw/zinc/06/19/98/353061998.db2.gz YMVNFGLWWZEUBA-UHFFFAOYSA-N 2 2 287.404 -0.520 20 0 CBADLP O=C1NCCN1CC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000336844196 353063986 /nfs/dbraw/zinc/06/39/86/353063986.db2.gz YSBNLEGZJPSLRM-CYBMUJFWSA-N 2 2 282.388 -0.334 20 0 CBADLP O=C1NCCN1CC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000336844196 353063987 /nfs/dbraw/zinc/06/39/87/353063987.db2.gz YSBNLEGZJPSLRM-CYBMUJFWSA-N 2 2 282.388 -0.334 20 0 CBADLP O=C1NCCN1CC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000336844197 353064155 /nfs/dbraw/zinc/06/41/55/353064155.db2.gz YSBNLEGZJPSLRM-ZDUSSCGKSA-N 2 2 282.388 -0.334 20 0 CBADLP O=C1NCCN1CC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000336844197 353064156 /nfs/dbraw/zinc/06/41/56/353064156.db2.gz YSBNLEGZJPSLRM-ZDUSSCGKSA-N 2 2 282.388 -0.334 20 0 CBADLP C[C@@H]1CN(C[C@@H](O)C[NH+]2CCOCC2)C[C@@H](C)[NH+]1C ZINC000336888508 353064783 /nfs/dbraw/zinc/06/47/83/353064783.db2.gz JVHBGIZTOVCOAI-MCIONIFRSA-N 2 2 271.405 -0.296 20 0 CBADLP C[C@H]1C[N@H+](C)CCN1C[C@H](O)C[NH+]1CCOCC1 ZINC000336733400 353050283 /nfs/dbraw/zinc/05/02/83/353050283.db2.gz UDHCOGPFHIEYDA-QWHCGFSZSA-N 2 2 257.378 -0.685 20 0 CBADLP C[C@H]1C[N@@H+](C)CCN1C[C@H](O)C[NH+]1CCOCC1 ZINC000336733400 353050285 /nfs/dbraw/zinc/05/02/85/353050285.db2.gz UDHCOGPFHIEYDA-QWHCGFSZSA-N 2 2 257.378 -0.685 20 0 CBADLP C[NH+](C[C@@H](O)C[N@@H+](C)CC(C)(CO)CO)C1CC1 ZINC000336792944 353052994 /nfs/dbraw/zinc/05/29/94/353052994.db2.gz UVBCOWUOLFZFGU-LBPRGKRZSA-N 2 2 260.378 -0.636 20 0 CBADLP C[NH+](C[C@@H](O)C[N@H+](C)CC(C)(CO)CO)C1CC1 ZINC000336792944 353052997 /nfs/dbraw/zinc/05/29/97/353052997.db2.gz UVBCOWUOLFZFGU-LBPRGKRZSA-N 2 2 260.378 -0.636 20 0 CBADLP C[NH+](C[C@H](O)C[N@H+](C)C1CC1)CC(C)(CO)CO ZINC000336792944 353052999 /nfs/dbraw/zinc/05/29/99/353052999.db2.gz UVBCOWUOLFZFGU-LBPRGKRZSA-N 2 2 260.378 -0.636 20 0 CBADLP C[NH+](C[C@H](O)C[N@@H+](C)C1CC1)CC(C)(CO)CO ZINC000336792944 353053001 /nfs/dbraw/zinc/05/30/01/353053001.db2.gz UVBCOWUOLFZFGU-LBPRGKRZSA-N 2 2 260.378 -0.636 20 0 CBADLP CC[C@H](C)[N@H+](CCO)CC(=O)N1CC[NH+](C)CC1 ZINC000336793859 353053989 /nfs/dbraw/zinc/05/39/89/353053989.db2.gz YRSUMIJXQXSDSY-LBPRGKRZSA-N 2 2 257.378 -0.147 20 0 CBADLP CC[C@H](C)[N@@H+](CCO)CC(=O)N1CC[NH+](C)CC1 ZINC000336793859 353053992 /nfs/dbraw/zinc/05/39/92/353053992.db2.gz YRSUMIJXQXSDSY-LBPRGKRZSA-N 2 2 257.378 -0.147 20 0 CBADLP c1ncn(CC[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)n1 ZINC000336801475 353056099 /nfs/dbraw/zinc/05/60/99/353056099.db2.gz QFWVVYSXWNEYNO-CYBMUJFWSA-N 2 2 265.361 -0.068 20 0 CBADLP c1ncn(CC[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)n1 ZINC000336801475 353056101 /nfs/dbraw/zinc/05/61/01/353056101.db2.gz QFWVVYSXWNEYNO-CYBMUJFWSA-N 2 2 265.361 -0.068 20 0 CBADLP COCC1(O)CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000336808562 353056933 /nfs/dbraw/zinc/05/69/33/353056933.db2.gz CGDQZNHRROMBPR-ZDUSSCGKSA-N 2 2 272.389 -0.085 20 0 CBADLP COCC1(O)CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000336808562 353056937 /nfs/dbraw/zinc/05/69/37/353056937.db2.gz CGDQZNHRROMBPR-ZDUSSCGKSA-N 2 2 272.389 -0.085 20 0 CBADLP CC[N@H+](CCOCCO)CC(=O)N1CC[NH+](C)CC1 ZINC000336807271 353057475 /nfs/dbraw/zinc/05/74/75/353057475.db2.gz IABIFKASOLHSDS-UHFFFAOYSA-N 2 2 273.377 -0.909 20 0 CBADLP CC[N@@H+](CCOCCO)CC(=O)N1CC[NH+](C)CC1 ZINC000336807271 353057480 /nfs/dbraw/zinc/05/74/80/353057480.db2.gz IABIFKASOLHSDS-UHFFFAOYSA-N 2 2 273.377 -0.909 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@](F)(CO)C2)CC1 ZINC000338594632 353107170 /nfs/dbraw/zinc/10/71/70/353107170.db2.gz ZVQKNISZYBBDBV-GXTWGEPZSA-N 2 2 287.379 -0.055 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@](F)(CO)C2)CC1 ZINC000338594632 353107174 /nfs/dbraw/zinc/10/71/74/353107174.db2.gz ZVQKNISZYBBDBV-GXTWGEPZSA-N 2 2 287.379 -0.055 20 0 CBADLP C[C@H]1CN(C)CC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338324713 353095489 /nfs/dbraw/zinc/09/54/89/353095489.db2.gz XQGCTWCXOANYHO-ZDUSSCGKSA-N 2 2 268.405 -0.214 20 0 CBADLP C[C@H]1CN(C)CC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338324713 353095491 /nfs/dbraw/zinc/09/54/91/353095491.db2.gz XQGCTWCXOANYHO-ZDUSSCGKSA-N 2 2 268.405 -0.214 20 0 CBADLP C[C@H]1C[N@H+](C)CCN1CCC(=O)N1CC[NH+](C)CC1 ZINC000338324713 353095493 /nfs/dbraw/zinc/09/54/93/353095493.db2.gz XQGCTWCXOANYHO-ZDUSSCGKSA-N 2 2 268.405 -0.214 20 0 CBADLP C[C@H]1C[N@@H+](C)CCN1CCC(=O)N1CC[NH+](C)CC1 ZINC000338324713 353095496 /nfs/dbraw/zinc/09/54/96/353095496.db2.gz XQGCTWCXOANYHO-ZDUSSCGKSA-N 2 2 268.405 -0.214 20 0 CBADLP C[C@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)CC(=O)N1C ZINC000338349078 353097875 /nfs/dbraw/zinc/09/78/75/353097875.db2.gz QBMZCWBQDMARRF-LBPRGKRZSA-N 2 2 282.388 -0.687 20 0 CBADLP C[C@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)CC(=O)N1C ZINC000338349078 353097877 /nfs/dbraw/zinc/09/78/77/353097877.db2.gz QBMZCWBQDMARRF-LBPRGKRZSA-N 2 2 282.388 -0.687 20 0 CBADLP C[C@@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)CC(=O)N1C ZINC000338349077 353098086 /nfs/dbraw/zinc/09/80/86/353098086.db2.gz QBMZCWBQDMARRF-GFCCVEGCSA-N 2 2 282.388 -0.687 20 0 CBADLP C[C@@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)CC(=O)N1C ZINC000338349077 353098089 /nfs/dbraw/zinc/09/80/89/353098089.db2.gz QBMZCWBQDMARRF-GFCCVEGCSA-N 2 2 282.388 -0.687 20 0 CBADLP COC[C@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@@H](C)O1 ZINC000338367324 353098701 /nfs/dbraw/zinc/09/87/01/353098701.db2.gz ZBJSEMVWEKVTQU-ZIAGYGMSSA-N 2 2 299.415 -0.114 20 0 CBADLP COC[C@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@@H](C)O1 ZINC000338367324 353098703 /nfs/dbraw/zinc/09/87/03/353098703.db2.gz ZBJSEMVWEKVTQU-ZIAGYGMSSA-N 2 2 299.415 -0.114 20 0 CBADLP COC[C@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000338367320 353098741 /nfs/dbraw/zinc/09/87/41/353098741.db2.gz ZBJSEMVWEKVTQU-UONOGXRCSA-N 2 2 299.415 -0.114 20 0 CBADLP COC[C@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000338367320 353098743 /nfs/dbraw/zinc/09/87/43/353098743.db2.gz ZBJSEMVWEKVTQU-UONOGXRCSA-N 2 2 299.415 -0.114 20 0 CBADLP COC[C@@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@@H](C)O1 ZINC000338367316 353098953 /nfs/dbraw/zinc/09/89/53/353098953.db2.gz ZBJSEMVWEKVTQU-KGLIPLIRSA-N 2 2 299.415 -0.114 20 0 CBADLP COC[C@@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@@H](C)O1 ZINC000338367316 353098954 /nfs/dbraw/zinc/09/89/54/353098954.db2.gz ZBJSEMVWEKVTQU-KGLIPLIRSA-N 2 2 299.415 -0.114 20 0 CBADLP C[N@@H+](CC(=O)N1CCNC(=O)C1)C[C@@H]1CCC[NH+](C)C1 ZINC000152420920 188017563 /nfs/dbraw/zinc/01/75/63/188017563.db2.gz XXIGCXYEHPCHRB-GFCCVEGCSA-N 2 2 282.388 -0.782 20 0 CBADLP C[N@H+](CC(=O)N1CCNC(=O)C1)C[C@@H]1CCC[NH+](C)C1 ZINC000152420920 188017564 /nfs/dbraw/zinc/01/75/64/188017564.db2.gz XXIGCXYEHPCHRB-GFCCVEGCSA-N 2 2 282.388 -0.782 20 0 CBADLP C[NH+](CC(=O)N1CCNC(=O)C1)C[C@@H]1CCC[N@H+](C)C1 ZINC000152420920 188017565 /nfs/dbraw/zinc/01/75/65/188017565.db2.gz XXIGCXYEHPCHRB-GFCCVEGCSA-N 2 2 282.388 -0.782 20 0 CBADLP C[NH+](CC(=O)N1CCNC(=O)C1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152420920 188017566 /nfs/dbraw/zinc/01/75/66/188017566.db2.gz XXIGCXYEHPCHRB-GFCCVEGCSA-N 2 2 282.388 -0.782 20 0 CBADLP COC(=O)CCNC(=O)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152487546 188023250 /nfs/dbraw/zinc/02/32/50/188023250.db2.gz LJUNOGQAQGLSIB-GFCCVEGCSA-N 2 2 285.388 -0.061 20 0 CBADLP COC(=O)CCNC(=O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152487546 188023251 /nfs/dbraw/zinc/02/32/51/188023251.db2.gz LJUNOGQAQGLSIB-GFCCVEGCSA-N 2 2 285.388 -0.061 20 0 CBADLP COC(=O)CCNC(=O)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152487546 188023253 /nfs/dbraw/zinc/02/32/53/188023253.db2.gz LJUNOGQAQGLSIB-GFCCVEGCSA-N 2 2 285.388 -0.061 20 0 CBADLP COC(=O)CCNC(=O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152487546 188023254 /nfs/dbraw/zinc/02/32/54/188023254.db2.gz LJUNOGQAQGLSIB-GFCCVEGCSA-N 2 2 285.388 -0.061 20 0 CBADLP C[C@@H](CO)CNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000340248710 353160048 /nfs/dbraw/zinc/16/00/48/353160048.db2.gz IMFKFGOJSGORKH-GFCCVEGCSA-N 2 2 286.420 -0.060 20 0 CBADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CCn2cc(C(=O)OC)nn2)C1 ZINC000341269550 353207813 /nfs/dbraw/zinc/20/78/13/353207813.db2.gz LPUBRQKWUFCXMR-MNOVXSKESA-N 2 2 281.360 -0.006 20 0 CBADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CCn2cc(C(=O)OC)nn2)C1 ZINC000341269550 353207815 /nfs/dbraw/zinc/20/78/15/353207815.db2.gz LPUBRQKWUFCXMR-MNOVXSKESA-N 2 2 281.360 -0.006 20 0 CBADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NCC[NH+](C)C ZINC000342665603 353226403 /nfs/dbraw/zinc/22/64/03/353226403.db2.gz PGYKVUFBSOEXBA-GFCCVEGCSA-N 2 2 271.409 -0.517 20 0 CBADLP COC(=O)CC[C@H]([NH3+])C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000342700702 353227894 /nfs/dbraw/zinc/22/78/94/353227894.db2.gz YDENOZCDUXFCLG-QWRGUYRKSA-N 2 2 287.360 -0.896 20 0 CBADLP COC(=O)CC[C@H]([NH3+])C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000342700702 353227897 /nfs/dbraw/zinc/22/78/97/353227897.db2.gz YDENOZCDUXFCLG-QWRGUYRKSA-N 2 2 287.360 -0.896 20 0 CBADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000342711747 353228919 /nfs/dbraw/zinc/22/89/19/353228919.db2.gz QXKGAIGGRPMQQN-NSHDSACASA-N 2 2 282.388 -0.606 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000343136506 353255573 /nfs/dbraw/zinc/25/55/73/353255573.db2.gz ZXNRKUPTPDIJAI-KBPBESRZSA-N 2 2 296.415 -0.787 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000343136506 353255575 /nfs/dbraw/zinc/25/55/75/353255575.db2.gz ZXNRKUPTPDIJAI-KBPBESRZSA-N 2 2 296.415 -0.787 20 0 CBADLP CC[N@H+](CC(=O)NCC[NH+]1CCN(C(C)=O)CC1)C1CC1 ZINC000343134589 353255902 /nfs/dbraw/zinc/25/59/02/353255902.db2.gz DZHIOCUKPMVKTJ-UHFFFAOYSA-N 2 2 296.415 -0.249 20 0 CBADLP CC[N@@H+](CC(=O)NCC[NH+]1CCN(C(C)=O)CC1)C1CC1 ZINC000343134589 353255904 /nfs/dbraw/zinc/25/59/04/353255904.db2.gz DZHIOCUKPMVKTJ-UHFFFAOYSA-N 2 2 296.415 -0.249 20 0 CBADLP COC(=O)CC[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000343675273 353283757 /nfs/dbraw/zinc/28/37/57/353283757.db2.gz SNIDGVMNVLYEPW-UHFFFAOYSA-N 2 2 283.372 -0.211 20 0 CBADLP COC(=O)[C@@](C)(O)C[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000343789054 353291736 /nfs/dbraw/zinc/29/17/36/353291736.db2.gz HQSKAELHPSDRPJ-AWEZNQCLSA-N 2 2 288.388 -0.311 20 0 CBADLP COC(=O)[C@@](C)(O)C[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000343789054 353291737 /nfs/dbraw/zinc/29/17/37/353291737.db2.gz HQSKAELHPSDRPJ-AWEZNQCLSA-N 2 2 288.388 -0.311 20 0 CBADLP C[NH+](C)CC(=O)NC[C@H](NC(=O)C[NH+](C)C)C(C)(C)C ZINC000343842693 353294033 /nfs/dbraw/zinc/29/40/33/353294033.db2.gz QSMGCCKRKZTSEF-NSHDSACASA-N 2 2 286.420 -0.243 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC([NH+](C)C)C1 ZINC000345300223 353321586 /nfs/dbraw/zinc/32/15/86/353321586.db2.gz JHSPQVVKTBZQBO-UHFFFAOYSA-N 2 2 270.377 -0.785 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CC([NH+](C)C)C1 ZINC000345300223 353321591 /nfs/dbraw/zinc/32/15/91/353321591.db2.gz JHSPQVVKTBZQBO-UHFFFAOYSA-N 2 2 270.377 -0.785 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@@H](C)C[NH+](C)C ZINC000346128325 353362994 /nfs/dbraw/zinc/36/29/94/353362994.db2.gz DBBFNRJFCXKRRJ-NSHDSACASA-N 2 2 272.393 -0.491 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@@H](C)C[NH+](C)C ZINC000346128325 353362997 /nfs/dbraw/zinc/36/29/97/353362997.db2.gz DBBFNRJFCXKRRJ-NSHDSACASA-N 2 2 272.393 -0.491 20 0 CBADLP CC[NH+]1CCN([C@@H](C)CNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000346156989 353364864 /nfs/dbraw/zinc/36/48/64/353364864.db2.gz SXHDSCYQAQCYKG-UONOGXRCSA-N 2 2 298.431 -0.541 20 0 CBADLP CC[NH+]1CCN([C@@H](C)CNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000346156989 353364867 /nfs/dbraw/zinc/36/48/67/353364867.db2.gz SXHDSCYQAQCYKG-UONOGXRCSA-N 2 2 298.431 -0.541 20 0 CBADLP CCNC(=O)CN1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000346814398 353393552 /nfs/dbraw/zinc/39/35/52/353393552.db2.gz BDNPCRJOFPUUSC-CYBMUJFWSA-N 2 2 268.405 -0.260 20 0 CBADLP CCNC(=O)C[NH+]1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000346814398 353393554 /nfs/dbraw/zinc/39/35/54/353393554.db2.gz BDNPCRJOFPUUSC-CYBMUJFWSA-N 2 2 268.405 -0.260 20 0 CBADLP C[C@@H](C(=O)NCCC[NH+]1CCC(O)CC1)[NH+]1CCOCC1 ZINC000346244067 353367685 /nfs/dbraw/zinc/36/76/85/353367685.db2.gz WUPWHOQLCORAAZ-ZDUSSCGKSA-N 2 2 299.415 -0.330 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000346556116 353383234 /nfs/dbraw/zinc/38/32/34/353383234.db2.gz XQJYZIBXUBDEEO-NEPJUHHUSA-N 2 2 255.362 -0.083 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC000346556116 353383237 /nfs/dbraw/zinc/38/32/37/353383237.db2.gz XQJYZIBXUBDEEO-NEPJUHHUSA-N 2 2 255.362 -0.083 20 0 CBADLP C[NH+](C)CC(=O)NC[C@@H]1CCC[C@@H](NC(=O)C[NH+](C)C)C1 ZINC000348916674 353440636 /nfs/dbraw/zinc/44/06/36/353440636.db2.gz FZNJDJJSKNAXCN-CHWSQXEVSA-N 2 2 298.431 -0.099 20 0 CBADLP C[C@@H](NC(=O)CCOC1C[NH2+]C1)[C@H](C)[NH+]1CCOCC1 ZINC000349006185 353445000 /nfs/dbraw/zinc/44/50/00/353445000.db2.gz TXWWEIBPBPZPFW-NEPJUHHUSA-N 2 2 285.388 -0.410 20 0 CBADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1CC(=O)NCC(=O)N1CCCC1 ZINC000352488146 353487196 /nfs/dbraw/zinc/48/71/96/353487196.db2.gz MTOZZOPJWZGOPO-ZDUSSCGKSA-N 2 2 296.415 -0.072 20 0 CBADLP [NH3+]CC[C@@H]1CCCC[N@H+]1CC(=O)NCC(=O)N1CCCC1 ZINC000352488146 353487201 /nfs/dbraw/zinc/48/72/01/353487201.db2.gz MTOZZOPJWZGOPO-ZDUSSCGKSA-N 2 2 296.415 -0.072 20 0 CBADLP C[C@H](NC(=O)C[N@@H+]1CCCC[C@H]1CC[NH3+])C(=O)N(C)C ZINC000352503023 353488023 /nfs/dbraw/zinc/48/80/23/353488023.db2.gz BBKBIXFHEYKCPZ-RYUDHWBXSA-N 2 2 284.404 -0.217 20 0 CBADLP C[C@H](NC(=O)C[N@H+]1CCCC[C@H]1CC[NH3+])C(=O)N(C)C ZINC000352503023 353488026 /nfs/dbraw/zinc/48/80/26/353488026.db2.gz BBKBIXFHEYKCPZ-RYUDHWBXSA-N 2 2 284.404 -0.217 20 0 CBADLP C[NH+](C[C@H](O)C[N@@H+](C)C1CC1)[C@@]1(CO)CCOC1 ZINC000351612837 353475587 /nfs/dbraw/zinc/47/55/87/353475587.db2.gz YMICPIYXXDEDJK-CHWSQXEVSA-N 2 2 258.362 -0.475 20 0 CBADLP C[NH+](C[C@H](O)C[N@H+](C)C1CC1)[C@@]1(CO)CCOC1 ZINC000351612837 353475589 /nfs/dbraw/zinc/47/55/89/353475589.db2.gz YMICPIYXXDEDJK-CHWSQXEVSA-N 2 2 258.362 -0.475 20 0 CBADLP C[NH+](C[C@@H](O)C[N@H+](C)[C@@]1(CO)CCOC1)C1CC1 ZINC000351612837 353475593 /nfs/dbraw/zinc/47/55/93/353475593.db2.gz YMICPIYXXDEDJK-CHWSQXEVSA-N 2 2 258.362 -0.475 20 0 CBADLP C[NH+](C[C@@H](O)C[N@@H+](C)[C@@]1(CO)CCOC1)C1CC1 ZINC000351612837 353475597 /nfs/dbraw/zinc/47/55/97/353475597.db2.gz YMICPIYXXDEDJK-CHWSQXEVSA-N 2 2 258.362 -0.475 20 0 CBADLP C[C@H](CO)[N@H+](C[C@H](C)O)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351624161 353476666 /nfs/dbraw/zinc/47/66/66/353476666.db2.gz WPXMJUIROLOTMJ-MDZLAQPJSA-N 2 2 260.378 -0.495 20 0 CBADLP C[C@H](CO)[N@@H+](C[C@H](C)O)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351624161 353476669 /nfs/dbraw/zinc/47/66/69/353476669.db2.gz WPXMJUIROLOTMJ-MDZLAQPJSA-N 2 2 260.378 -0.495 20 0 CBADLP C[C@H](CO)[NH+](C[C@H](C)O)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351624161 353476670 /nfs/dbraw/zinc/47/66/70/353476670.db2.gz WPXMJUIROLOTMJ-MDZLAQPJSA-N 2 2 260.378 -0.495 20 0 CBADLP C[C@H](CO)[NH+](C[C@H](C)O)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351624161 353476672 /nfs/dbraw/zinc/47/66/72/353476672.db2.gz WPXMJUIROLOTMJ-MDZLAQPJSA-N 2 2 260.378 -0.495 20 0 CBADLP C[C@H]([NH3+])CC(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000261818466 137700747 /nfs/dbraw/zinc/70/07/47/137700747.db2.gz MIHGENAAMFIYBI-NSHDSACASA-N 2 2 265.361 -0.198 20 0 CBADLP COC1(CO)CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000352349584 353480968 /nfs/dbraw/zinc/48/09/68/353480968.db2.gz LSCAJGHWEAPFCG-CYBMUJFWSA-N 2 2 272.389 -0.085 20 0 CBADLP COC1(CO)CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000352349584 353480970 /nfs/dbraw/zinc/48/09/70/353480970.db2.gz LSCAJGHWEAPFCG-CYBMUJFWSA-N 2 2 272.389 -0.085 20 0 CBADLP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCC[NH+]1CCOCC1 ZINC000353052477 353519336 /nfs/dbraw/zinc/51/93/36/353519336.db2.gz PRVLLGBKFNSJJL-NWDGAFQWSA-N 2 2 255.362 -0.177 20 0 CBADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)C2([NH3+])CC2)CC1 ZINC000353469981 353532810 /nfs/dbraw/zinc/53/28/10/353532810.db2.gz HQPOYUNRVWFTKU-UHFFFAOYSA-N 2 2 268.361 -0.852 20 0 CBADLP CCNC(=O)C[N@H+]1CCCN(C(=O)C2([NH3+])CC2)CC1 ZINC000353469981 353532812 /nfs/dbraw/zinc/53/28/12/353532812.db2.gz HQPOYUNRVWFTKU-UHFFFAOYSA-N 2 2 268.361 -0.852 20 0 CBADLP CC[N@H+](C)CCNS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000354076031 353542422 /nfs/dbraw/zinc/54/24/22/353542422.db2.gz PUQYPOLXAGAZGZ-UHFFFAOYSA-N 2 2 293.433 -0.420 20 0 CBADLP CC[N@@H+](C)CCNS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000354076031 353542426 /nfs/dbraw/zinc/54/24/26/353542426.db2.gz PUQYPOLXAGAZGZ-UHFFFAOYSA-N 2 2 293.433 -0.420 20 0 CBADLP Cc1[nH+]c[nH]c1CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000354748038 353582665 /nfs/dbraw/zinc/58/26/65/353582665.db2.gz KTWCEOFZAZTCEJ-JTQLQIEISA-N 2 2 279.344 -0.407 20 0 CBADLP C[C@H](CNC(=O)C[C@@H]1COCC[NH2+]1)CN1CC[NH+](C)CC1 ZINC000357249350 353602468 /nfs/dbraw/zinc/60/24/68/353602468.db2.gz SEIMIBBCWPACAT-ZIAGYGMSSA-N 2 2 298.431 -0.635 20 0 CBADLP C[C@@H](C(=O)NC[C@@]1(O)CC[N@H+](C)C1)[NH+]1CCSCC1 ZINC000358054179 353622647 /nfs/dbraw/zinc/62/26/47/353622647.db2.gz JZVPMHAFGHSDRX-AAEUAGOBSA-N 2 2 287.429 -0.394 20 0 CBADLP C[C@@H](C(=O)NC[C@@]1(O)CC[N@@H+](C)C1)[NH+]1CCSCC1 ZINC000358054179 353622650 /nfs/dbraw/zinc/62/26/50/353622650.db2.gz JZVPMHAFGHSDRX-AAEUAGOBSA-N 2 2 287.429 -0.394 20 0 CBADLP COCCN1CC[C@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC000358119596 353627648 /nfs/dbraw/zinc/62/76/48/353627648.db2.gz OTUMBMNBRRBMEU-STQMWFEESA-N 2 2 257.378 -0.637 20 0 CBADLP COCCN1CC[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC000358119596 353627652 /nfs/dbraw/zinc/62/76/52/353627652.db2.gz OTUMBMNBRRBMEU-STQMWFEESA-N 2 2 257.378 -0.637 20 0 CBADLP COCCn1cc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)cn1 ZINC000358158185 353630164 /nfs/dbraw/zinc/63/01/64/353630164.db2.gz AANJWDMMOPIPEJ-CYBMUJFWSA-N 2 2 268.361 -0.314 20 0 CBADLP COCCn1cc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cn1 ZINC000358158185 353630166 /nfs/dbraw/zinc/63/01/66/353630166.db2.gz AANJWDMMOPIPEJ-CYBMUJFWSA-N 2 2 268.361 -0.314 20 0 CBADLP CNC(=O)CC[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000358467234 353646075 /nfs/dbraw/zinc/64/60/75/353646075.db2.gz LHJAHBVWHQPOOA-UHFFFAOYSA-N 2 2 251.334 -0.337 20 0 CBADLP CNS(=O)(=O)CCC[N@@H+]1CC[C@H](OC)C[C@@H]1C[NH3+] ZINC000359040245 353651420 /nfs/dbraw/zinc/65/14/20/353651420.db2.gz IAWLDCIPLMVAOL-MNOVXSKESA-N 2 2 279.406 -0.636 20 0 CBADLP CNS(=O)(=O)CCC[N@H+]1CC[C@H](OC)C[C@@H]1C[NH3+] ZINC000359040245 353651422 /nfs/dbraw/zinc/65/14/22/353651422.db2.gz IAWLDCIPLMVAOL-MNOVXSKESA-N 2 2 279.406 -0.636 20 0 CBADLP CNS(=O)(=O)CCC[N@@H+]1CC[C@@H](OC)C[C@@H]1C[NH3+] ZINC000359040242 353651479 /nfs/dbraw/zinc/65/14/79/353651479.db2.gz IAWLDCIPLMVAOL-GHMZBOCLSA-N 2 2 279.406 -0.636 20 0 CBADLP CNS(=O)(=O)CCC[N@H+]1CC[C@@H](OC)C[C@@H]1C[NH3+] ZINC000359040242 353651482 /nfs/dbraw/zinc/65/14/82/353651482.db2.gz IAWLDCIPLMVAOL-GHMZBOCLSA-N 2 2 279.406 -0.636 20 0 CBADLP CNS(=O)(=O)CCC[N@@H+]1CC[C@@H](OC)C[C@H]1C[NH3+] ZINC000359040251 353651799 /nfs/dbraw/zinc/65/17/99/353651799.db2.gz IAWLDCIPLMVAOL-WDEREUQCSA-N 2 2 279.406 -0.636 20 0 CBADLP CNS(=O)(=O)CCC[N@H+]1CC[C@@H](OC)C[C@H]1C[NH3+] ZINC000359040251 353651801 /nfs/dbraw/zinc/65/18/01/353651801.db2.gz IAWLDCIPLMVAOL-WDEREUQCSA-N 2 2 279.406 -0.636 20 0 CBADLP CC(C)Cn1cc[nH+]c1CNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000357899998 353612733 /nfs/dbraw/zinc/61/27/33/353612733.db2.gz AIOSWUJDIKTHIU-MNOVXSKESA-N 2 2 266.345 -0.122 20 0 CBADLP C[NH+](C)CC(=O)N1C[C@@H]2CCCN(C(=O)C[NH+](C)C)[C@@H]2C1 ZINC000358001675 353619291 /nfs/dbraw/zinc/61/92/91/353619291.db2.gz SFQDYPPOKDDDND-QWHCGFSZSA-N 2 2 296.415 -0.441 20 0 CBADLP COc1cc[nH+]c(N2CC[NH+]([C@@H]3COC[C@@H]3O)CC2)c1 ZINC000361289529 353660486 /nfs/dbraw/zinc/66/04/86/353660486.db2.gz POMIKRDJOBNPEP-OLZOCXBDSA-N 2 2 279.340 -0.028 20 0 CBADLP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+]([C@H]2COC[C@@H]2O)CC1 ZINC000361286210 353660816 /nfs/dbraw/zinc/66/08/16/353660816.db2.gz FTMMYGDQICBDKT-ILXRZTDVSA-N 2 2 283.416 -0.152 20 0 CBADLP C[N@H+]1CCCC[C@@H]1CN1CC[NH+]([C@H]2COC[C@@H]2O)CC1 ZINC000361286210 353660817 /nfs/dbraw/zinc/66/08/17/353660817.db2.gz FTMMYGDQICBDKT-ILXRZTDVSA-N 2 2 283.416 -0.152 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C3C[NH2+]C3)C2)CC1 ZINC000364238407 353671101 /nfs/dbraw/zinc/67/11/01/353671101.db2.gz QVLIVEFHYFAKIS-GFCCVEGCSA-N 3 2 266.389 -0.510 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C3C[NH2+]C3)C2)CC1 ZINC000364238407 353671106 /nfs/dbraw/zinc/67/11/06/353671106.db2.gz QVLIVEFHYFAKIS-GFCCVEGCSA-N 3 2 266.389 -0.510 20 0 CBADLP O=C(N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)[C@H]1C[NH2+]CCO1 ZINC000364560244 353672136 /nfs/dbraw/zinc/67/21/36/353672136.db2.gz KGTXOJFZVNWGNC-BFHYXJOUSA-N 2 2 297.399 -0.266 20 0 CBADLP CNS(=O)(=O)[C@H]1CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000371199723 353696809 /nfs/dbraw/zinc/69/68/09/353696809.db2.gz WHCIMRDHSMUYKQ-NSHDSACASA-N 2 2 272.374 -0.103 20 0 CBADLP CNS(=O)(=O)[C@H]1CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000371199723 353696811 /nfs/dbraw/zinc/69/68/11/353696811.db2.gz WHCIMRDHSMUYKQ-NSHDSACASA-N 2 2 272.374 -0.103 20 0 CBADLP C[C@@H]([NH3+])C(=O)N1CC[N@H+](C[C@@H]2CN(C)CCO2)C[C@@H]1C ZINC000366951276 353679386 /nfs/dbraw/zinc/67/93/86/353679386.db2.gz JVFCKNVKPSYVCB-XQQFMLRXSA-N 2 2 284.404 -0.803 20 0 CBADLP C[C@@H]([NH3+])C(=O)N1CC[N@@H+](C[C@@H]2CN(C)CCO2)C[C@@H]1C ZINC000366951276 353679388 /nfs/dbraw/zinc/67/93/88/353679388.db2.gz JVFCKNVKPSYVCB-XQQFMLRXSA-N 2 2 284.404 -0.803 20 0 CBADLP C[C@H](C[NH3+])C(=O)N1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000367507229 353682383 /nfs/dbraw/zinc/68/23/83/353682383.db2.gz KATVKIPWXGGVMJ-NEPJUHHUSA-N 2 2 282.388 -0.606 20 0 CBADLP O=C(NC[C@@]1([NH+]2CCOCC2)CCCOC1)[C@@H]1CCC[NH2+]1 ZINC000370773261 353691826 /nfs/dbraw/zinc/69/18/26/353691826.db2.gz NTJKOIFQACSUAZ-ZFWWWQNUSA-N 2 2 297.399 -0.264 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@]2(F)CC[NH2+]C2)CC1 ZINC000371264114 353698720 /nfs/dbraw/zinc/69/87/20/353698720.db2.gz IJVMXMTYLHRIHE-LBPRGKRZSA-N 2 2 259.325 -0.521 20 0 CBADLP CC(C)(C)NC(=O)C[N@@H+]1CCCN(C(=O)C2([NH3+])CC2)CC1 ZINC000372122875 353711510 /nfs/dbraw/zinc/71/15/10/353711510.db2.gz HSUJFJFCJLHTPZ-UHFFFAOYSA-N 2 2 296.415 -0.073 20 0 CBADLP CC(C)(C)NC(=O)C[N@H+]1CCCN(C(=O)C2([NH3+])CC2)CC1 ZINC000372122875 353711515 /nfs/dbraw/zinc/71/15/15/353711515.db2.gz HSUJFJFCJLHTPZ-UHFFFAOYSA-N 2 2 296.415 -0.073 20 0 CBADLP COC(=O)CNC(=O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000372168319 353712296 /nfs/dbraw/zinc/71/22/96/353712296.db2.gz CRQSRPLDHUECJC-UHFFFAOYSA-N 2 2 280.328 -0.122 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N2CCC[NH+](CC(C)(C)O)CC2)C1 ZINC000372549845 353718956 /nfs/dbraw/zinc/71/89/56/353718956.db2.gz ANRAKOXPGPVIEW-ZDUSSCGKSA-N 2 2 299.415 -0.378 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N2CCC[NH+](CC(C)(C)O)CC2)C1 ZINC000372549845 353718958 /nfs/dbraw/zinc/71/89/58/353718958.db2.gz ANRAKOXPGPVIEW-ZDUSSCGKSA-N 2 2 299.415 -0.378 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N2CCC[N@H+](CC(C)(C)O)CC2)C1 ZINC000372549845 353718959 /nfs/dbraw/zinc/71/89/59/353718959.db2.gz ANRAKOXPGPVIEW-ZDUSSCGKSA-N 2 2 299.415 -0.378 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N2CCC[N@@H+](CC(C)(C)O)CC2)C1 ZINC000372549845 353718960 /nfs/dbraw/zinc/71/89/60/353718960.db2.gz ANRAKOXPGPVIEW-ZDUSSCGKSA-N 2 2 299.415 -0.378 20 0 CBADLP CC(C)[C@H](O)C[N@@H+]1CCO[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000373004530 353724920 /nfs/dbraw/zinc/72/49/20/353724920.db2.gz YJJNYVQVNIFQDY-LSDHHAIUSA-N 2 2 285.432 -0.049 20 0 CBADLP C[C@@H]1[NH2+]CCN(C(=O)c2n[nH]c3c2C[NH2+]CC3)[C@H]1C ZINC000373071433 353725710 /nfs/dbraw/zinc/72/57/10/353725710.db2.gz SGKMWRZSSQYVSL-IUCAKERBSA-N 2 2 263.345 -0.122 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CCC(N2CC[N@H+](C)CC2=O)CC1 ZINC000374730657 353748551 /nfs/dbraw/zinc/74/85/51/353748551.db2.gz IGKINMUSPMVFRC-SNVBAGLBSA-N 2 2 268.361 -0.901 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CCC(N2CC[N@@H+](C)CC2=O)CC1 ZINC000374730657 353748554 /nfs/dbraw/zinc/74/85/54/353748554.db2.gz IGKINMUSPMVFRC-SNVBAGLBSA-N 2 2 268.361 -0.901 20 0 CBADLP C[NH+]1CCN(C(=O)CC[NH+]2CC(O)(C3CC3)C2)CC1 ZINC000374864588 353749457 /nfs/dbraw/zinc/74/94/57/353749457.db2.gz SJSCENQCGRZQFL-UHFFFAOYSA-N 2 2 267.373 -0.393 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCN3C(=O)OC[C@H]3C2)CC1 ZINC000374912440 353750297 /nfs/dbraw/zinc/75/02/97/353750297.db2.gz MLRVHPHEIRYRNJ-GFCCVEGCSA-N 2 2 296.371 -0.713 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCN3C(=O)OC[C@H]3C2)CC1 ZINC000374912440 353750300 /nfs/dbraw/zinc/75/03/00/353750300.db2.gz MLRVHPHEIRYRNJ-GFCCVEGCSA-N 2 2 296.371 -0.713 20 0 CBADLP C[NH+]1CCN(C(=O)CN2CC[C@H]3CC[N@H+](C)C[C@@H]32)CC1 ZINC000375229764 353756111 /nfs/dbraw/zinc/75/61/11/353756111.db2.gz OYJGECRROZFSEX-KGLIPLIRSA-N 2 2 280.416 -0.214 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@H]3CC[NH2+]C3)C2)CC1 ZINC000377198689 353778006 /nfs/dbraw/zinc/77/80/06/353778006.db2.gz QSTOEYNNHUCFLB-STQMWFEESA-N 3 2 280.416 -0.119 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@H]3CC[NH2+]C3)C2)CC1 ZINC000377198689 353778009 /nfs/dbraw/zinc/77/80/09/353778009.db2.gz QSTOEYNNHUCFLB-STQMWFEESA-N 3 2 280.416 -0.119 20 0 CBADLP COC(=O)C1CCN(C(=O)C[N@H+](C)C2CC([NH3+])C2)CC1 ZINC000384706191 353786511 /nfs/dbraw/zinc/78/65/11/353786511.db2.gz CEPKGCAUCVIYEG-UHFFFAOYSA-N 2 2 283.372 -0.181 20 0 CBADLP COC(=O)C1CCN(C(=O)C[N@@H+](C)C2CC([NH3+])C2)CC1 ZINC000384706191 353786515 /nfs/dbraw/zinc/78/65/15/353786515.db2.gz CEPKGCAUCVIYEG-UHFFFAOYSA-N 2 2 283.372 -0.181 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](O)CC1 ZINC000378675277 353781569 /nfs/dbraw/zinc/78/15/69/353781569.db2.gz OFOURAHJSCOMAH-OLZOCXBDSA-N 2 2 260.378 -0.228 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](O)CC1 ZINC000378675277 353781573 /nfs/dbraw/zinc/78/15/73/353781573.db2.gz OFOURAHJSCOMAH-OLZOCXBDSA-N 2 2 260.378 -0.228 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](O)CC1 ZINC000378675277 353781575 /nfs/dbraw/zinc/78/15/75/353781575.db2.gz OFOURAHJSCOMAH-OLZOCXBDSA-N 2 2 260.378 -0.228 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](O)CC1 ZINC000378675277 353781577 /nfs/dbraw/zinc/78/15/77/353781577.db2.gz OFOURAHJSCOMAH-OLZOCXBDSA-N 2 2 260.378 -0.228 20 0 CBADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H]1CCN(S(C)(=O)=O)C1 ZINC000400145324 353799148 /nfs/dbraw/zinc/79/91/48/353799148.db2.gz NIQNMTZDXGBHPL-UTUOFQBUSA-N 2 2 291.417 -0.623 20 0 CBADLP CC[C@@H]1C[N@H+](C[C@H](O)C[NH+](C)CCOC)C[C@@H]1O ZINC000400050304 353799193 /nfs/dbraw/zinc/79/91/93/353799193.db2.gz WLQJVKVMLRPHRW-UPJWGTAASA-N 2 2 260.378 -0.372 20 0 CBADLP CC[C@@H]1C[N@@H+](C[C@H](O)C[NH+](C)CCOC)C[C@@H]1O ZINC000400050304 353799194 /nfs/dbraw/zinc/79/91/94/353799194.db2.gz WLQJVKVMLRPHRW-UPJWGTAASA-N 2 2 260.378 -0.372 20 0 CBADLP CC[C@@H]1C[NH+](C[C@H](O)C[N@H+](C)CCOC)C[C@@H]1O ZINC000400050304 353799198 /nfs/dbraw/zinc/79/91/98/353799198.db2.gz WLQJVKVMLRPHRW-UPJWGTAASA-N 2 2 260.378 -0.372 20 0 CBADLP CC[C@@H]1C[NH+](C[C@H](O)C[N@@H+](C)CCOC)C[C@@H]1O ZINC000400050304 353799199 /nfs/dbraw/zinc/79/91/99/353799199.db2.gz WLQJVKVMLRPHRW-UPJWGTAASA-N 2 2 260.378 -0.372 20 0 CBADLP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000405446819 353807992 /nfs/dbraw/zinc/80/79/92/353807992.db2.gz MYXHURGCUIUIFR-GMTAPVOTSA-N 2 2 286.376 -0.484 20 0 CBADLP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000405446819 353807993 /nfs/dbraw/zinc/80/79/93/353807993.db2.gz MYXHURGCUIUIFR-GMTAPVOTSA-N 2 2 286.376 -0.484 20 0 CBADLP CC(C)[N@@H+](C)C[C@@H](C)NC[C@H](O)C[NH+]1CCOCC1 ZINC000388279545 353789564 /nfs/dbraw/zinc/78/95/64/353789564.db2.gz QFBKTSCJAQUVOZ-KGLIPLIRSA-N 2 2 273.421 -0.002 20 0 CBADLP CC(C)[N@H+](C)C[C@@H](C)NC[C@H](O)C[NH+]1CCOCC1 ZINC000388279545 353789565 /nfs/dbraw/zinc/78/95/65/353789565.db2.gz QFBKTSCJAQUVOZ-KGLIPLIRSA-N 2 2 273.421 -0.002 20 0 CBADLP C[NH+](C)C1CN(S(=O)(=O)CCC[NH+]2CCOCC2)C1 ZINC000408244016 353879391 /nfs/dbraw/zinc/87/93/91/353879391.db2.gz MEBGDNCZFIKLEE-UHFFFAOYSA-N 2 2 291.417 -0.716 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)C1 ZINC000408273628 353884539 /nfs/dbraw/zinc/88/45/39/353884539.db2.gz FJLYGNIWYMEVKA-GFCCVEGCSA-N 2 2 293.371 -0.616 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)C1 ZINC000408273628 353884541 /nfs/dbraw/zinc/88/45/41/353884541.db2.gz FJLYGNIWYMEVKA-GFCCVEGCSA-N 2 2 293.371 -0.616 20 0 CBADLP C[C@@H]1CN(C(=O)CNC(N)=O)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000408081573 353845670 /nfs/dbraw/zinc/84/56/70/353845670.db2.gz MSJIUBZZIAEFKJ-LLVKDONJSA-N 2 2 297.403 -0.718 20 0 CBADLP C[C@@H]1CN(C(=O)CNC(N)=O)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000408081573 353845673 /nfs/dbraw/zinc/84/56/73/353845673.db2.gz MSJIUBZZIAEFKJ-LLVKDONJSA-N 2 2 297.403 -0.718 20 0 CBADLP C[C@H]1CN(C(=O)CC(N)=O)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000408080731 353845870 /nfs/dbraw/zinc/84/58/70/353845870.db2.gz SUTVLBRIRZLVBN-NSHDSACASA-N 2 2 282.388 -0.511 20 0 CBADLP C[C@H]1CN(C(=O)CC(N)=O)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000408080731 353845871 /nfs/dbraw/zinc/84/58/71/353845871.db2.gz SUTVLBRIRZLVBN-NSHDSACASA-N 2 2 282.388 -0.511 20 0 CBADLP CN(C(=O)C(=O)N1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000410496263 353929924 /nfs/dbraw/zinc/92/99/24/353929924.db2.gz DTLZLDBTAGAPRF-CYBMUJFWSA-N 2 2 294.399 -0.545 20 0 CBADLP CN(C(=O)C(=O)N1CC[NH+](C)CC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000410496263 353929926 /nfs/dbraw/zinc/92/99/26/353929926.db2.gz DTLZLDBTAGAPRF-CYBMUJFWSA-N 2 2 294.399 -0.545 20 0 CBADLP COC(=O)[C@H]1CN(Cc2c[nH+]cn2C)CC[N@H+](C)C1 ZINC000411906922 353941233 /nfs/dbraw/zinc/94/12/33/353941233.db2.gz OPIZILVYKWQEFO-LLVKDONJSA-N 2 2 266.345 -0.043 20 0 CBADLP COC(=O)[C@H]1CN(Cc2c[nH+]cn2C)CC[N@@H+](C)C1 ZINC000411906922 353941235 /nfs/dbraw/zinc/94/12/35/353941235.db2.gz OPIZILVYKWQEFO-LLVKDONJSA-N 2 2 266.345 -0.043 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2C[C@@H](O)C[C@H]2COC)CC1 ZINC000411923340 353942759 /nfs/dbraw/zinc/94/27/59/353942759.db2.gz NZXLLZNWNNIAGB-IHRRRGAJSA-N 2 2 299.415 -0.379 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2C[C@@H](O)C[C@H]2COC)CC1 ZINC000411923340 353942762 /nfs/dbraw/zinc/94/27/62/353942762.db2.gz NZXLLZNWNNIAGB-IHRRRGAJSA-N 2 2 299.415 -0.379 20 0 CBADLP C[C@@H]1C[C@H](O)C[NH+](C[C@H](O)C[N@H+]2C[C@H](O)C[C@H](C)C2)C1 ZINC000412029630 353942858 /nfs/dbraw/zinc/94/28/58/353942858.db2.gz DGFXUOYPYBJJPC-ABTBWFIASA-N 2 2 286.416 -0.247 20 0 CBADLP C[C@@H]1C[C@H](O)C[NH+](C[C@H](O)C[N@@H+]2C[C@H](O)C[C@H](C)C2)C1 ZINC000412029630 353942859 /nfs/dbraw/zinc/94/28/59/353942859.db2.gz DGFXUOYPYBJJPC-ABTBWFIASA-N 2 2 286.416 -0.247 20 0 CBADLP C[C@@H]1C[C@H](O)C[N@H+](C[C@H](O)C[NH+]2C[C@H](O)C[C@H](C)C2)C1 ZINC000412029630 353942861 /nfs/dbraw/zinc/94/28/61/353942861.db2.gz DGFXUOYPYBJJPC-ABTBWFIASA-N 2 2 286.416 -0.247 20 0 CBADLP C[C@@H]1C[C@H](O)C[N@@H+](C[C@H](O)C[NH+]2C[C@H](O)C[C@H](C)C2)C1 ZINC000412029630 353942862 /nfs/dbraw/zinc/94/28/62/353942862.db2.gz DGFXUOYPYBJJPC-ABTBWFIASA-N 2 2 286.416 -0.247 20 0 CBADLP C[C@@H]1CN(C(=O)NCC[NH+]2CCOCC2)[C@H](C)C[NH2+]1 ZINC000416432261 353968816 /nfs/dbraw/zinc/96/88/16/353968816.db2.gz DYSJMXHDOJXFMN-VXGBXAGGSA-N 2 2 270.377 -0.290 20 0 CBADLP C[C@H]1CCN(C(=O)NCC[NH+]2CCOCC2)C[C@H]1C[NH3+] ZINC000416443067 353969889 /nfs/dbraw/zinc/96/98/89/353969889.db2.gz GNOSGEKFWMABPB-QWHCGFSZSA-N 2 2 284.404 -0.055 20 0 CBADLP C[NH2+]C[C@@H](C)CNC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000417001064 353974708 /nfs/dbraw/zinc/97/47/08/353974708.db2.gz DKIHVRADTCPHST-VXGBXAGGSA-N 2 2 272.393 -0.138 20 0 CBADLP C[NH2+]C[C@@H](C)CNC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000417001061 353974818 /nfs/dbraw/zinc/97/48/18/353974818.db2.gz DKIHVRADTCPHST-NEPJUHHUSA-N 2 2 272.393 -0.138 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NC(C)(C)C[NH3+] ZINC000417033597 353975412 /nfs/dbraw/zinc/97/54/12/353975412.db2.gz QNXWEJMEICHURG-SNVBAGLBSA-N 2 2 258.366 -0.256 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NCC(F)(F)C[NH3+] ZINC000417024966 353975647 /nfs/dbraw/zinc/97/56/47/353975647.db2.gz LIAFHXOEEKAREA-SECBINFHSA-N 2 2 280.319 -0.400 20 0 CBADLP CN(CC[NH3+])C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000417429228 353977673 /nfs/dbraw/zinc/97/76/73/353977673.db2.gz URHJACZRRHPHHA-UHFFFAOYSA-N 2 2 258.366 -0.303 20 0 CBADLP CN(CC[NH3+])C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000417429228 353977677 /nfs/dbraw/zinc/97/76/77/353977677.db2.gz URHJACZRRHPHHA-UHFFFAOYSA-N 2 2 258.366 -0.303 20 0 CBADLP C[C@@H](NC(=O)NCC[N@@H+]1CCOC[C@@H]1C)[C@H](C)[NH3+] ZINC000417499494 353978336 /nfs/dbraw/zinc/97/83/36/353978336.db2.gz DZVRVQZYTUMODH-GARJFASQSA-N 2 2 258.366 -0.258 20 0 CBADLP C[C@@H](NC(=O)NCC[N@H+]1CCOC[C@@H]1C)[C@H](C)[NH3+] ZINC000417499494 353978339 /nfs/dbraw/zinc/97/83/39/353978339.db2.gz DZVRVQZYTUMODH-GARJFASQSA-N 2 2 258.366 -0.258 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)NC[C@H]([NH3+])C1CC1 ZINC000417503234 353978560 /nfs/dbraw/zinc/97/85/60/353978560.db2.gz CTIAXBZGXZXBDY-JQWIXIFHSA-N 2 2 270.377 -0.256 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)NC[C@H]([NH3+])C1CC1 ZINC000417503234 353978562 /nfs/dbraw/zinc/97/85/62/353978562.db2.gz CTIAXBZGXZXBDY-JQWIXIFHSA-N 2 2 270.377 -0.256 20 0 CBADLP C[NH2+][C@H]1CCN(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)C1 ZINC000417502844 353978914 /nfs/dbraw/zinc/97/89/14/353978914.db2.gz CAMBBQFSWJVBTM-RYUDHWBXSA-N 2 2 270.377 -0.290 20 0 CBADLP C[NH2+][C@H]1CCN(C(=O)NCC[N@H+]2CCOC[C@@H]2C)C1 ZINC000417502844 353978915 /nfs/dbraw/zinc/97/89/15/353978915.db2.gz CAMBBQFSWJVBTM-RYUDHWBXSA-N 2 2 270.377 -0.290 20 0 CBADLP [NH3+]CC(F)(F)CNC(=O)NCC[NH+]1CCSCC1 ZINC000417611185 353980056 /nfs/dbraw/zinc/98/00/56/353980056.db2.gz ONCBVMXFNAVPAE-UHFFFAOYSA-N 2 2 282.360 -0.072 20 0 CBADLP [NH3+]CC(F)(F)CNC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000418201019 353988677 /nfs/dbraw/zinc/98/86/77/353988677.db2.gz ATCVTPZBCLXIKJ-JTQLQIEISA-N 2 2 292.330 -0.257 20 0 CBADLP [NH3+]CC(F)(F)CNC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000418201019 353988679 /nfs/dbraw/zinc/98/86/79/353988679.db2.gz ATCVTPZBCLXIKJ-JTQLQIEISA-N 2 2 292.330 -0.257 20 0 CBADLP CC(C)(C[NH3+])NC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000418201080 353988724 /nfs/dbraw/zinc/98/87/24/353988724.db2.gz AWZBAMVIEOOKKL-LLVKDONJSA-N 2 2 270.377 -0.114 20 0 CBADLP CC(C)(C[NH3+])NC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000418201080 353988726 /nfs/dbraw/zinc/98/87/26/353988726.db2.gz AWZBAMVIEOOKKL-LLVKDONJSA-N 2 2 270.377 -0.114 20 0 CBADLP C[NH2+]CCCNC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000418277370 353990520 /nfs/dbraw/zinc/99/05/20/353990520.db2.gz ILRJXHCJZWZJGH-TXEJJXNPSA-N 2 2 270.377 -0.242 20 0 CBADLP C[NH2+]CCCNC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000418277370 353990522 /nfs/dbraw/zinc/99/05/22/353990522.db2.gz ILRJXHCJZWZJGH-TXEJJXNPSA-N 2 2 270.377 -0.242 20 0 CBADLP CNS(=O)(=O)NC1CC[NH+](C[C@@H]([NH3+])CC(C)C)CC1 ZINC000415114351 353963556 /nfs/dbraw/zinc/96/35/56/353963556.db2.gz XJRSXHWDHIUIGU-NSHDSACASA-N 2 2 292.449 -0.122 20 0 CBADLP CC[C@@H]1C[N@H+](CCNC(=O)NC[C@H](C)C[NH3+])CCO1 ZINC000418479401 353998865 /nfs/dbraw/zinc/99/88/65/353998865.db2.gz YRVGQBYQHZQHDV-VXGBXAGGSA-N 2 2 272.393 -0.009 20 0 CBADLP CC[C@@H]1C[N@@H+](CCNC(=O)NC[C@H](C)C[NH3+])CCO1 ZINC000418479401 353998867 /nfs/dbraw/zinc/99/88/67/353998867.db2.gz YRVGQBYQHZQHDV-VXGBXAGGSA-N 2 2 272.393 -0.009 20 0 CBADLP C[C@H](O)C[N@@H+]1CCN(C(=O)NCC(F)(F)C[NH3+])[C@H](C)C1 ZINC000418522248 354001645 /nfs/dbraw/zinc/00/16/45/354001645.db2.gz IPNIZQDZBHYOGP-ZJUUUORDSA-N 2 2 294.346 -0.323 20 0 CBADLP C[C@H](O)C[N@H+]1CCN(C(=O)NCC(F)(F)C[NH3+])[C@H](C)C1 ZINC000418522248 354001647 /nfs/dbraw/zinc/00/16/47/354001647.db2.gz IPNIZQDZBHYOGP-ZJUUUORDSA-N 2 2 294.346 -0.323 20 0 CBADLP CC[NH2+][C@H](C)CNC(=O)N(C)CC[NH+]1CCOCC1 ZINC000418592516 354003757 /nfs/dbraw/zinc/00/37/57/354003757.db2.gz PNTJHZKKFJXJCA-GFCCVEGCSA-N 2 2 272.393 -0.042 20 0 CBADLP C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCCCNc1cccc[nH+]1 ZINC000419644868 354067021 /nfs/dbraw/zinc/06/70/21/354067021.db2.gz JSKGIDGSAPUAHP-NSHDSACASA-N 2 2 293.371 -0.195 20 0 CBADLP CC1(C)CN(C(=O)C(=O)NCCCn2cc[nH+]c2)CC[NH2+]1 ZINC000419720154 354072037 /nfs/dbraw/zinc/07/20/37/354072037.db2.gz HOCTVXZQUQIQDT-UHFFFAOYSA-N 2 2 293.371 -0.400 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000419842850 354084226 /nfs/dbraw/zinc/08/42/26/354084226.db2.gz MEGVZBRLZSJQOW-NSHDSACASA-N 2 2 268.361 -0.981 20 0 CBADLP C[C@@H]1CN(C(=O)NCCn2cc[nH+]c2)[C@@H](C)C[N@@H+]1CCO ZINC000419402297 354051314 /nfs/dbraw/zinc/05/13/14/354051314.db2.gz OPCLUEJRHWYMKX-OLZOCXBDSA-N 2 2 295.387 -0.020 20 0 CBADLP C[C@@H]1CN(C(=O)NCCn2cc[nH+]c2)[C@@H](C)C[N@H+]1CCO ZINC000419402297 354051319 /nfs/dbraw/zinc/05/13/19/354051319.db2.gz OPCLUEJRHWYMKX-OLZOCXBDSA-N 2 2 295.387 -0.020 20 0 CBADLP CNC(=O)NC(=O)C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420402917 354127987 /nfs/dbraw/zinc/12/79/87/354127987.db2.gz RALMLDNJFJNTSM-MNOVXSKESA-N 2 2 268.361 -0.094 20 0 CBADLP CNC(=O)NC(=O)C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420402917 354127993 /nfs/dbraw/zinc/12/79/93/354127993.db2.gz RALMLDNJFJNTSM-MNOVXSKESA-N 2 2 268.361 -0.094 20 0 CBADLP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000419955111 354096107 /nfs/dbraw/zinc/09/61/07/354096107.db2.gz NATHXJRMKNSUHN-GFCCVEGCSA-N 2 2 296.415 -0.217 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)NC[C@H](C)C[NH2+]C)CC1 ZINC000419976255 354099620 /nfs/dbraw/zinc/09/96/20/354099620.db2.gz LMBOADLFSZXUBT-LLVKDONJSA-N 2 2 270.377 -0.878 20 0 CBADLP C[C@@H](CC[NH3+])NC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000419991846 354100445 /nfs/dbraw/zinc/10/04/45/354100445.db2.gz IXSCRTHJCBSKLF-JTQLQIEISA-N 2 2 268.361 -0.854 20 0 CBADLP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CC[NH+](CC)CC1 ZINC000420147982 354113172 /nfs/dbraw/zinc/11/31/72/354113172.db2.gz SRSKADOCSLTSMA-LBPRGKRZSA-N 2 2 284.404 -0.216 20 0 CBADLP COC(=O)CCC[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000420299648 354121937 /nfs/dbraw/zinc/12/19/37/354121937.db2.gz BEGZPFQEDIMDNV-LBPRGKRZSA-N 2 2 283.372 -0.164 20 0 CBADLP COC(=O)CCC[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000420299648 354121938 /nfs/dbraw/zinc/12/19/38/354121938.db2.gz BEGZPFQEDIMDNV-LBPRGKRZSA-N 2 2 283.372 -0.164 20 0 CBADLP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)[C@@H](C[NH3+])C1CC1 ZINC000420310823 354122314 /nfs/dbraw/zinc/12/23/14/354122314.db2.gz GWZQBFDBNGEGMY-ZDUSSCGKSA-N 3 2 268.405 -0.180 20 0 CBADLP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)[C@@H](C[NH3+])C1CC1 ZINC000420310823 354122326 /nfs/dbraw/zinc/12/23/26/354122326.db2.gz GWZQBFDBNGEGMY-ZDUSSCGKSA-N 3 2 268.405 -0.180 20 0 CBADLP CCOC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000420311657 354122611 /nfs/dbraw/zinc/12/26/11/354122611.db2.gz NZYVZXBHVXSFEC-NSHDSACASA-N 2 2 271.361 -0.131 20 0 CBADLP CCOC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000420311657 354122616 /nfs/dbraw/zinc/12/26/16/354122616.db2.gz NZYVZXBHVXSFEC-NSHDSACASA-N 2 2 271.361 -0.131 20 0 CBADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420309642 354123024 /nfs/dbraw/zinc/12/30/24/354123024.db2.gz OYEZOYFQLLKQBE-UONOGXRCSA-N 3 2 280.416 -0.118 20 0 CBADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420309642 354123025 /nfs/dbraw/zinc/12/30/25/354123025.db2.gz OYEZOYFQLLKQBE-UONOGXRCSA-N 3 2 280.416 -0.118 20 0 CBADLP C[NH2+]CC[N@H+](C)CCC(=O)NC(=O)NCC(F)(F)F ZINC000420333423 354124438 /nfs/dbraw/zinc/12/44/38/354124438.db2.gz DRFUEAQBNXJULS-UHFFFAOYSA-N 2 2 284.282 -0.084 20 0 CBADLP C[NH2+]CC[N@@H+](C)CCC(=O)NC(=O)NCC(F)(F)F ZINC000420333423 354124440 /nfs/dbraw/zinc/12/44/40/354124440.db2.gz DRFUEAQBNXJULS-UHFFFAOYSA-N 2 2 284.282 -0.084 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000420367140 354125130 /nfs/dbraw/zinc/12/51/30/354125130.db2.gz MPDCBPICJXPKFM-SLEUVZQESA-N 2 2 298.431 -0.053 20 0 CBADLP C[NH2+]CCC[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000420393691 354126324 /nfs/dbraw/zinc/12/63/24/354126324.db2.gz QQMROHZVSNJRCS-UHFFFAOYSA-N 3 2 256.394 -0.308 20 0 CBADLP C[NH2+]CCC[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000420393691 354126325 /nfs/dbraw/zinc/12/63/25/354126325.db2.gz QQMROHZVSNJRCS-UHFFFAOYSA-N 3 2 256.394 -0.308 20 0 CBADLP CCNC(=O)NC(=O)C[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000420367676 354126468 /nfs/dbraw/zinc/12/64/68/354126468.db2.gz NAWMKYUCMJPQEV-ATZCPNFKSA-N 2 2 256.350 -0.192 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]([NH3+])C1CCC1)[NH+]1CCOCC1 ZINC000423332767 354168967 /nfs/dbraw/zinc/16/89/67/354168967.db2.gz RCKNVEVARVMURS-JQWIXIFHSA-N 2 2 255.362 -0.049 20 0 CBADLP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[NH2+]CC2)CC[N@@H+]1C ZINC000423370447 354172259 /nfs/dbraw/zinc/17/22/59/354172259.db2.gz DLDIULYOLYXGNA-GFCCVEGCSA-N 2 2 282.388 -0.783 20 0 CBADLP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[NH2+]CC2)CC[N@H+]1C ZINC000423370447 354172268 /nfs/dbraw/zinc/17/22/68/354172268.db2.gz DLDIULYOLYXGNA-GFCCVEGCSA-N 2 2 282.388 -0.783 20 0 CBADLP CCC[NH2+]CCNC(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000423457259 354176268 /nfs/dbraw/zinc/17/62/68/354176268.db2.gz ICCDSZAROWIAAL-UHFFFAOYSA-N 2 2 272.393 -0.441 20 0 CBADLP CCC[NH2+]CCNC(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000423457259 354176272 /nfs/dbraw/zinc/17/62/72/354176272.db2.gz ICCDSZAROWIAAL-UHFFFAOYSA-N 2 2 272.393 -0.441 20 0 CBADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000422708317 354151777 /nfs/dbraw/zinc/15/17/77/354151777.db2.gz BOAHPLPKBFIMMW-OLZOCXBDSA-N 3 2 268.405 -0.262 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N(C)CC(C)(C)C[NH3+] ZINC000422896653 354157251 /nfs/dbraw/zinc/15/72/51/354157251.db2.gz YLNJBOIPFKTQSD-UHFFFAOYSA-N 2 2 286.420 -0.114 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N(C)CC(C)(C)C[NH3+] ZINC000422896653 354157253 /nfs/dbraw/zinc/15/72/53/354157253.db2.gz YLNJBOIPFKTQSD-UHFFFAOYSA-N 2 2 286.420 -0.114 20 0 CBADLP CC(C)NS(=O)(=O)CC[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000422941401 354157548 /nfs/dbraw/zinc/15/75/48/354157548.db2.gz HZTSINBQPHUCCZ-MNOVXSKESA-N 2 2 263.407 -0.098 20 0 CBADLP O=C(NCC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1)c1ccn[nH]1 ZINC000423044680 354160379 /nfs/dbraw/zinc/16/03/79/354160379.db2.gz REZLSTWNOOGQIG-OLZOCXBDSA-N 2 2 293.371 -0.504 20 0 CBADLP C[C@@H]([NH2+]CCNC(=O)c1ccn[nH]1)[C@H]1CCC[NH2+]1 ZINC000423047409 354160477 /nfs/dbraw/zinc/16/04/77/354160477.db2.gz VEFCPVPNUXVTNJ-NXEZZACHSA-N 2 2 251.334 -0.130 20 0 CBADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCNC(=O)c1ccn[nH]1 ZINC000423040408 354160583 /nfs/dbraw/zinc/16/05/83/354160583.db2.gz GZTGCLOFWYZOIA-MWLCHTKSSA-N 2 2 251.334 -0.273 20 0 CBADLP [NH3+][C@H]1CCCN(C(=O)C(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC000423065045 354161082 /nfs/dbraw/zinc/16/10/82/354161082.db2.gz AUPXYVBJZXSKDY-NSHDSACASA-N 2 2 280.372 -0.757 20 0 CBADLP C[C@H]1CN(C(=O)C(=O)N2CC[NH+](CC3CC3)CC2)CC[NH2+]1 ZINC000423139221 354163780 /nfs/dbraw/zinc/16/37/80/354163780.db2.gz ZIWNFKALUXBVGS-LBPRGKRZSA-N 2 2 294.399 -0.639 20 0 CBADLP COCC[NH2+]CCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000423528825 354178627 /nfs/dbraw/zinc/17/86/27/354178627.db2.gz WVRPWEWZXLBEDH-AWEZNQCLSA-N 2 2 299.415 -0.018 20 0 CBADLP COCC[NH2+]CCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000423528825 354178630 /nfs/dbraw/zinc/17/86/30/354178630.db2.gz WVRPWEWZXLBEDH-AWEZNQCLSA-N 2 2 299.415 -0.018 20 0 CBADLP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000423644908 354188384 /nfs/dbraw/zinc/18/83/84/354188384.db2.gz QAQGJYAZXOTDFK-LBPRGKRZSA-N 2 2 294.399 -0.639 20 0 CBADLP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000423645254 354188467 /nfs/dbraw/zinc/18/84/67/354188467.db2.gz QHXPYYVWNCFCPW-NSHDSACASA-N 2 2 280.372 -0.887 20 0 CBADLP O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000423663394 354190139 /nfs/dbraw/zinc/19/01/39/354190139.db2.gz GCZFJEPMTWFHBI-UBHSHLNASA-N 2 2 297.399 -0.674 20 0 CBADLP O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000423663394 354190143 /nfs/dbraw/zinc/19/01/43/354190143.db2.gz GCZFJEPMTWFHBI-UBHSHLNASA-N 2 2 297.399 -0.674 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N(C)C1(C[NH3+])CCC1 ZINC000423708785 354192590 /nfs/dbraw/zinc/19/25/90/354192590.db2.gz VQZHVVKTBFONTI-UHFFFAOYSA-N 2 2 284.404 -0.217 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N(C)C1(C[NH3+])CCC1 ZINC000423708785 354192593 /nfs/dbraw/zinc/19/25/93/354192593.db2.gz VQZHVVKTBFONTI-UHFFFAOYSA-N 2 2 284.404 -0.217 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)[C@@H]([NH3+])C1CCC1 ZINC000423751663 354196932 /nfs/dbraw/zinc/19/69/32/354196932.db2.gz VIEYXIUZLFMHTP-LBPRGKRZSA-N 2 2 255.362 -0.096 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)C[NH2+]C[C@H]1CCCO1 ZINC000423752755 354197538 /nfs/dbraw/zinc/19/75/38/354197538.db2.gz WFJTUZTTXKQAGP-CYBMUJFWSA-N 2 2 285.388 -0.454 20 0 CBADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)[C@H]2COCC[NH2+]2)C[C@H](C)O1 ZINC000423767385 354198831 /nfs/dbraw/zinc/19/88/31/354198831.db2.gz WZFMZZOTOYEIPP-FRRDWIJNSA-N 2 2 285.388 -0.458 20 0 CBADLP C[C@@H]1C[N@H+](CCN(C)C(=O)[C@H]2COCC[NH2+]2)C[C@H](C)O1 ZINC000423767385 354198836 /nfs/dbraw/zinc/19/88/36/354198836.db2.gz WZFMZZOTOYEIPP-FRRDWIJNSA-N 2 2 285.388 -0.458 20 0 CBADLP COCC[NH2+]CC(=O)N(CC1CC1)C[C@H]1C[N@H+](C)CCO1 ZINC000423862861 354201543 /nfs/dbraw/zinc/20/15/43/354201543.db2.gz GRVJIWMGMUXNCA-CQSZACIVSA-N 2 2 299.415 -0.208 20 0 CBADLP COCC[NH2+]CC(=O)N(CC1CC1)C[C@H]1C[N@@H+](C)CCO1 ZINC000423862861 354201546 /nfs/dbraw/zinc/20/15/46/354201546.db2.gz GRVJIWMGMUXNCA-CQSZACIVSA-N 2 2 299.415 -0.208 20 0 CBADLP C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)CC[NH3+])C1 ZINC000423863413 354201554 /nfs/dbraw/zinc/20/15/54/354201554.db2.gz IAKXIVMQLAMYKQ-GFCCVEGCSA-N 2 2 255.362 -0.096 20 0 CBADLP C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)CC[NH3+])C1 ZINC000423863413 354201559 /nfs/dbraw/zinc/20/15/59/354201559.db2.gz IAKXIVMQLAMYKQ-GFCCVEGCSA-N 2 2 255.362 -0.096 20 0 CBADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H](C)[NH3+])[C@@H](C)C1 ZINC000423863441 354202360 /nfs/dbraw/zinc/20/23/60/354202360.db2.gz WGTRUWXXANDKNW-VHSXEESVSA-N 2 2 257.334 -0.571 20 0 CBADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H](C)[NH3+])[C@@H](C)C1 ZINC000423863441 354202366 /nfs/dbraw/zinc/20/23/66/354202366.db2.gz WGTRUWXXANDKNW-VHSXEESVSA-N 2 2 257.334 -0.571 20 0 CBADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H]2C[NH2+]CCO2)[C@H](C)C1 ZINC000423864449 354202886 /nfs/dbraw/zinc/20/28/86/354202886.db2.gz YRMNQJKMAGQFLI-NEPJUHHUSA-N 2 2 299.371 -0.929 20 0 CBADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H]2C[NH2+]CCO2)[C@H](C)C1 ZINC000423864449 354202888 /nfs/dbraw/zinc/20/28/88/354202888.db2.gz YRMNQJKMAGQFLI-NEPJUHHUSA-N 2 2 299.371 -0.929 20 0 CBADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H]2COCC[NH2+]2)C[C@@H]1C ZINC000423899098 354204400 /nfs/dbraw/zinc/20/44/00/354204400.db2.gz QDPBAQUADHYVAV-NWDGAFQWSA-N 2 2 299.371 -0.929 20 0 CBADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@H]2COCC[NH2+]2)C[C@@H]1C ZINC000423899098 354204403 /nfs/dbraw/zinc/20/44/03/354204403.db2.gz QDPBAQUADHYVAV-NWDGAFQWSA-N 2 2 299.371 -0.929 20 0 CBADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H]2C[NH2+]CCO2)C[C@@H]1C ZINC000423906086 354205313 /nfs/dbraw/zinc/20/53/13/354205313.db2.gz ZWKUAWOWUISBAY-RYUDHWBXSA-N 2 2 299.371 -0.929 20 0 CBADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H]2C[NH2+]CCO2)C[C@@H]1C ZINC000423906086 354205315 /nfs/dbraw/zinc/20/53/15/354205315.db2.gz ZWKUAWOWUISBAY-RYUDHWBXSA-N 2 2 299.371 -0.929 20 0 CBADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H]2C[NH2+]CCO2)C[C@@H]1C ZINC000423906085 354205490 /nfs/dbraw/zinc/20/54/90/354205490.db2.gz ZWKUAWOWUISBAY-NWDGAFQWSA-N 2 2 299.371 -0.929 20 0 CBADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@H]2C[NH2+]CCO2)C[C@@H]1C ZINC000423906085 354205491 /nfs/dbraw/zinc/20/54/91/354205491.db2.gz ZWKUAWOWUISBAY-NWDGAFQWSA-N 2 2 299.371 -0.929 20 0 CBADLP [NH3+]C[C@H]1CC[C@@H](C(=O)NC[C@H]2CC[NH2+]CC2(F)F)O1 ZINC000424193369 354218097 /nfs/dbraw/zinc/21/80/97/354218097.db2.gz QQVAQMQLQDTAER-BBBLOLIVSA-N 2 2 277.315 -0.146 20 0 CBADLP [NH3+][C@@H]1C[C@@H]1C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000424139948 354211312 /nfs/dbraw/zinc/21/13/12/354211312.db2.gz VWHLQXYNDRPMJA-QWHCGFSZSA-N 2 2 294.399 -0.510 20 0 CBADLP [NH3+][C@@H]1C[C@@H]1C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000424139948 354211316 /nfs/dbraw/zinc/21/13/16/354211316.db2.gz VWHLQXYNDRPMJA-QWHCGFSZSA-N 2 2 294.399 -0.510 20 0 CBADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)[C@H]1COCC[NH2+]1 ZINC000424166215 354213211 /nfs/dbraw/zinc/21/32/11/354213211.db2.gz GOAJVVHYBRGGDH-DTWKUNHWSA-N 2 2 263.288 -0.664 20 0 CBADLP Cn1cc[nH+]c1CN1CCN(C(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000424181459 354215031 /nfs/dbraw/zinc/21/50/31/354215031.db2.gz RHXLVDBBURUNIQ-LBPRGKRZSA-N 2 2 293.371 -0.947 20 0 CBADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)[C@H]1COCC[NH2+]1 ZINC000424177472 354215147 /nfs/dbraw/zinc/21/51/47/354215147.db2.gz UOCUMBOZJNVMEV-VXGBXAGGSA-N 2 2 276.340 -0.235 20 0 CBADLP O=C(COC1C[NH2+]C1)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424178685 354215218 /nfs/dbraw/zinc/21/52/18/354215218.db2.gz RSUHRLUGZNKPIZ-MRVPVSSYSA-N 2 2 263.288 -0.664 20 0 CBADLP Cn1cc[nH+]c1CN1CCN(C(=O)[C@H]2COCC[NH2+]2)CC1 ZINC000424181457 354215265 /nfs/dbraw/zinc/21/52/65/354215265.db2.gz RHXLVDBBURUNIQ-GFCCVEGCSA-N 2 2 293.371 -0.947 20 0 CBADLP CN(CCC[NH+]1CCN(C)CC1)C(=O)[C@H]1COCC[NH2+]1 ZINC000424181657 354216610 /nfs/dbraw/zinc/21/66/10/354216610.db2.gz ROJCIWIKYJBUCH-CYBMUJFWSA-N 2 2 284.404 -0.929 20 0 CBADLP Cc1nc(N2CCN(C(=O)[C@H]3COCC[NH2+]3)CC2)cc[nH+]1 ZINC000424184977 354216746 /nfs/dbraw/zinc/21/67/46/354216746.db2.gz YTYMMVXQEIIFKF-GFCCVEGCSA-N 2 2 291.355 -0.578 20 0 CBADLP CN(C(=O)[C@@H]1COCC[NH2+]1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000430889248 354250700 /nfs/dbraw/zinc/25/07/00/354250700.db2.gz KMJJLVCEHSEBIU-RYUDHWBXSA-N 2 2 253.346 -0.330 20 0 CBADLP CN(C(=O)[C@@H]1COCC[NH2+]1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000430889248 354250703 /nfs/dbraw/zinc/25/07/03/354250703.db2.gz KMJJLVCEHSEBIU-RYUDHWBXSA-N 2 2 253.346 -0.330 20 0 CBADLP CNS(=O)(=O)CCC[N@@H+]1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000430586640 354250749 /nfs/dbraw/zinc/25/07/49/354250749.db2.gz WQHPPBBMAWXZSJ-MNOVXSKESA-N 2 2 263.407 -0.015 20 0 CBADLP CNS(=O)(=O)CCC[N@H+]1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000430586640 354250751 /nfs/dbraw/zinc/25/07/51/354250751.db2.gz WQHPPBBMAWXZSJ-MNOVXSKESA-N 2 2 263.407 -0.015 20 0 CBADLP C[C@H](CN1CCOCC1)[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000434700659 354254128 /nfs/dbraw/zinc/25/41/28/354254128.db2.gz ASYNEWMUTNNXCP-CQSZACIVSA-N 2 2 298.431 -0.587 20 0 CBADLP C[C@H](CN1CCOCC1)[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000434700659 354254131 /nfs/dbraw/zinc/25/41/31/354254131.db2.gz ASYNEWMUTNNXCP-CQSZACIVSA-N 2 2 298.431 -0.587 20 0 CBADLP O=C([C@H]1CC[NH2+]1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000444176476 354263033 /nfs/dbraw/zinc/26/30/33/354263033.db2.gz PUHAGQWBEGLYDK-VXGBXAGGSA-N 2 2 253.346 -0.329 20 0 CBADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCC(=O)N1CCCC1 ZINC000424333779 354222422 /nfs/dbraw/zinc/22/24/22/354222422.db2.gz MUTGYEPDJRRCPO-VXGBXAGGSA-N 2 2 282.388 -0.416 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@H](CO)[C@H]2CCCO2)CC1 ZINC000447908391 354307034 /nfs/dbraw/zinc/30/70/34/354307034.db2.gz BNYGRRRXWWBZQS-BFHYXJOUSA-N 2 2 299.415 -0.332 20 0 CBADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@H]2C[C@@]23CC[NH2+]C3)CC1 ZINC000444273506 354267343 /nfs/dbraw/zinc/26/73/43/354267343.db2.gz PZOWSGVVWYAWQE-IAQYHMDHSA-N 2 2 294.399 -0.606 20 0 CBADLP C[C@@H](CNC(=O)NC[C@@H]1C[N@H+](C)CCO1)[NH+](C)C ZINC000454443352 354355901 /nfs/dbraw/zinc/35/59/01/354355901.db2.gz RAWYOXYRRDWYDG-WDEREUQCSA-N 2 2 258.366 -0.434 20 0 CBADLP C[C@@H](CNC(=O)NC[C@@H]1C[N@@H+](C)CCO1)[NH+](C)C ZINC000454443352 354355904 /nfs/dbraw/zinc/35/59/04/354355904.db2.gz RAWYOXYRRDWYDG-WDEREUQCSA-N 2 2 258.366 -0.434 20 0 CBADLP C[C@@H]1CN(C(=O)NC[C@@H]2C[NH+](C)CCN2C)C[C@H](C)[N@H+]1C ZINC000454489669 354356224 /nfs/dbraw/zinc/35/62/24/354356224.db2.gz RHPKHNMIGYDYQK-HZSPNIEDSA-N 2 2 297.447 -0.034 20 0 CBADLP C[C@@H]1CN(C(=O)NC[C@@H]2C[NH+](C)CCN2C)C[C@H](C)[N@@H+]1C ZINC000454489669 354356231 /nfs/dbraw/zinc/35/62/31/354356231.db2.gz RHPKHNMIGYDYQK-HZSPNIEDSA-N 2 2 297.447 -0.034 20 0 CBADLP C[C@@H]1CN(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)C[C@H](C)[NH+]1C ZINC000454489669 354356233 /nfs/dbraw/zinc/35/62/33/354356233.db2.gz RHPKHNMIGYDYQK-HZSPNIEDSA-N 2 2 297.447 -0.034 20 0 CBADLP C[C@@H]1CN(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)C[C@H](C)[NH+]1C ZINC000454489669 354356236 /nfs/dbraw/zinc/35/62/36/354356236.db2.gz RHPKHNMIGYDYQK-HZSPNIEDSA-N 2 2 297.447 -0.034 20 0 CBADLP C[C@@H]1CN(C(=O)NC[C@H]2C[NH+](C)CCN2C)C[C@H](C)[N@H+]1C ZINC000454489680 354356320 /nfs/dbraw/zinc/35/63/20/354356320.db2.gz RHPKHNMIGYDYQK-MJBXVCDLSA-N 2 2 297.447 -0.034 20 0 CBADLP C[C@@H]1CN(C(=O)NC[C@H]2C[NH+](C)CCN2C)C[C@H](C)[N@@H+]1C ZINC000454489680 354356322 /nfs/dbraw/zinc/35/63/22/354356322.db2.gz RHPKHNMIGYDYQK-MJBXVCDLSA-N 2 2 297.447 -0.034 20 0 CBADLP C[C@@H]1CN(C(=O)NC[C@H]2C[N@H+](C)CCN2C)C[C@H](C)[NH+]1C ZINC000454489680 354356323 /nfs/dbraw/zinc/35/63/23/354356323.db2.gz RHPKHNMIGYDYQK-MJBXVCDLSA-N 2 2 297.447 -0.034 20 0 CBADLP C[C@@H]1CN(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)C[C@H](C)[NH+]1C ZINC000454489680 354356326 /nfs/dbraw/zinc/35/63/26/354356326.db2.gz RHPKHNMIGYDYQK-MJBXVCDLSA-N 2 2 297.447 -0.034 20 0 CBADLP C[C@@H](CNC(=O)NCC[N@@H+]1CCOC[C@H]1C)[NH+](C)C ZINC000454658696 354357051 /nfs/dbraw/zinc/35/70/51/354357051.db2.gz RAWXUCIILNYXHF-NWDGAFQWSA-N 2 2 272.393 -0.044 20 0 CBADLP C[C@@H](CNC(=O)NCC[N@H+]1CCOC[C@H]1C)[NH+](C)C ZINC000454658696 354357054 /nfs/dbraw/zinc/35/70/54/354357054.db2.gz RAWXUCIILNYXHF-NWDGAFQWSA-N 2 2 272.393 -0.044 20 0 CBADLP C[C@@H](CNC(=O)NCC[N@@H+]1CCOC[C@@H]1C)[NH+](C)C ZINC000454658697 354357154 /nfs/dbraw/zinc/35/71/54/354357154.db2.gz RAWXUCIILNYXHF-RYUDHWBXSA-N 2 2 272.393 -0.044 20 0 CBADLP C[C@@H](CNC(=O)NCC[N@H+]1CCOC[C@@H]1C)[NH+](C)C ZINC000454658697 354357159 /nfs/dbraw/zinc/35/71/59/354357159.db2.gz RAWXUCIILNYXHF-RYUDHWBXSA-N 2 2 272.393 -0.044 20 0 CBADLP CCO[C@@H]1COC[C@H]1[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000451945068 354345054 /nfs/dbraw/zinc/34/50/54/354345054.db2.gz IHNBMZYSZYLPCH-JHJVBQTASA-N 2 2 258.362 -0.165 20 0 CBADLP CCO[C@@H]1COC[C@H]1[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000451945068 354345056 /nfs/dbraw/zinc/34/50/56/354345056.db2.gz IHNBMZYSZYLPCH-JHJVBQTASA-N 2 2 258.362 -0.165 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](CCCO)C2)CC1 ZINC000452132169 354348585 /nfs/dbraw/zinc/34/85/85/354348585.db2.gz QJXLXCZEVCQPEQ-CYBMUJFWSA-N 2 2 269.389 -0.145 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](CCCO)C2)CC1 ZINC000452132169 354348590 /nfs/dbraw/zinc/34/85/90/354348590.db2.gz QJXLXCZEVCQPEQ-CYBMUJFWSA-N 2 2 269.389 -0.145 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[NH2+][C@@H](c3ccncc3)C2)C1 ZINC000367084627 283018490 /nfs/dbraw/zinc/01/84/90/283018490.db2.gz NGGIHHFEEPZWCI-KGLIPLIRSA-N 2 2 290.367 -0.115 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N2CC[NH2+][C@@H](c3ccncc3)C2)C1 ZINC000367084627 283018494 /nfs/dbraw/zinc/01/84/94/283018494.db2.gz NGGIHHFEEPZWCI-KGLIPLIRSA-N 2 2 290.367 -0.115 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000174589522 283020376 /nfs/dbraw/zinc/02/03/76/283020376.db2.gz FDVWBTDBZBMANP-LBPRGKRZSA-N 2 2 285.388 -0.456 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000174589522 283020377 /nfs/dbraw/zinc/02/03/77/283020377.db2.gz FDVWBTDBZBMANP-LBPRGKRZSA-N 2 2 285.388 -0.456 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000174589522 283020379 /nfs/dbraw/zinc/02/03/79/283020379.db2.gz FDVWBTDBZBMANP-LBPRGKRZSA-N 2 2 285.388 -0.456 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000174589522 283020381 /nfs/dbraw/zinc/02/03/81/283020381.db2.gz FDVWBTDBZBMANP-LBPRGKRZSA-N 2 2 285.388 -0.456 20 0 CBADLP CC[N@H+](CC(=O)N1CC[NH+](CCO)C[C@@H]1C)C1CC1 ZINC000457091272 354368692 /nfs/dbraw/zinc/36/86/92/354368692.db2.gz FNZPMVPDSMFCTC-LBPRGKRZSA-N 2 2 269.389 -0.004 20 0 CBADLP CC[N@@H+](CC(=O)N1CC[NH+](CCO)C[C@@H]1C)C1CC1 ZINC000457091272 354368693 /nfs/dbraw/zinc/36/86/93/354368693.db2.gz FNZPMVPDSMFCTC-LBPRGKRZSA-N 2 2 269.389 -0.004 20 0 CBADLP CC[NH+](CC(=O)N1CC[N@H+](CCO)C[C@@H]1C)C1CC1 ZINC000457091272 354368695 /nfs/dbraw/zinc/36/86/95/354368695.db2.gz FNZPMVPDSMFCTC-LBPRGKRZSA-N 2 2 269.389 -0.004 20 0 CBADLP CC[NH+](CC(=O)N1CC[N@@H+](CCO)C[C@@H]1C)C1CC1 ZINC000457091272 354368696 /nfs/dbraw/zinc/36/86/96/354368696.db2.gz FNZPMVPDSMFCTC-LBPRGKRZSA-N 2 2 269.389 -0.004 20 0 CBADLP C[C@H]1C[N@H+](CCO)CCN1C(=O)[C@H]1CCC[NH+]1C ZINC000457141939 354369550 /nfs/dbraw/zinc/36/95/50/354369550.db2.gz YMQVPBZSZASQDY-NWDGAFQWSA-N 2 2 255.362 -0.394 20 0 CBADLP C[C@H]1C[N@@H+](CCO)CCN1C(=O)[C@H]1CCC[NH+]1C ZINC000457141939 354369552 /nfs/dbraw/zinc/36/95/52/354369552.db2.gz YMQVPBZSZASQDY-NWDGAFQWSA-N 2 2 255.362 -0.394 20 0 CBADLP C[C@H]1C[NH+](CCO)CCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC000457141939 354369554 /nfs/dbraw/zinc/36/95/54/354369554.db2.gz YMQVPBZSZASQDY-NWDGAFQWSA-N 2 2 255.362 -0.394 20 0 CBADLP C[C@H]1C[NH+](CCO)CCN1C(=O)[C@H]1CCC[N@H+]1C ZINC000457141939 354369555 /nfs/dbraw/zinc/36/95/55/354369555.db2.gz YMQVPBZSZASQDY-NWDGAFQWSA-N 2 2 255.362 -0.394 20 0 CBADLP CC1CC[NH+](CCN2CC[NH+](CC(N)=O)CC2)CC1 ZINC000489962816 354437055 /nfs/dbraw/zinc/43/70/55/354437055.db2.gz KOIQQQPPRNTZCP-UHFFFAOYSA-N 2 2 268.405 -0.179 20 0 CBADLP C=CC(=O)NCCC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000490622917 354444266 /nfs/dbraw/zinc/44/42/66/354444266.db2.gz DABIYRMUUYSHIU-UHFFFAOYSA-N 2 2 296.415 -0.179 20 0 CBADLP C[C@@](O)(CNC(=O)C=Cc1c[nH]c[nH+]1)C[NH+]1CCOCC1 ZINC000492872200 354484414 /nfs/dbraw/zinc/48/44/14/354484414.db2.gz YITIIVDEDZIZTJ-PYLYLYNFSA-N 2 2 294.355 -0.378 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)/C=C\C[NH+](C)C)CCO1 ZINC000491869347 354461213 /nfs/dbraw/zinc/46/12/13/354461213.db2.gz NHZANNYWTPIJPS-RXNFCKPNSA-N 2 2 255.362 -0.059 20 0 CBADLP C[NH+](C)C/C=C\C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000492070451 354465744 /nfs/dbraw/zinc/46/57/44/354465744.db2.gz VRDPWIZGHHHLDA-ARJAWSKDSA-N 2 2 292.387 -0.460 20 0 CBADLP C[NH+](C)C/C=C\C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000492095895 354465890 /nfs/dbraw/zinc/46/58/90/354465890.db2.gz NZMOSILLPCMFEE-WAYWQWQTSA-N 2 2 282.388 -0.488 20 0 CBADLP C[C@](O)(CNC(=O)C=Cc1c[nH]c[nH+]1)C[NH+]1CCOCC1 ZINC000492872199 354483963 /nfs/dbraw/zinc/48/39/63/354483963.db2.gz YITIIVDEDZIZTJ-HSWBROFVSA-N 2 2 294.355 -0.378 20 0 CBADLP COC(=O)N1CCC[C@@H](C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])C1 ZINC000496062174 354531114 /nfs/dbraw/zinc/53/11/14/354531114.db2.gz AJSBLPRMTXFWNU-VXGBXAGGSA-N 2 2 298.387 -0.434 20 0 CBADLP COC(=O)N1CCC[C@@H](C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])C1 ZINC000496062174 354531118 /nfs/dbraw/zinc/53/11/18/354531118.db2.gz AJSBLPRMTXFWNU-VXGBXAGGSA-N 2 2 298.387 -0.434 20 0 CBADLP O=C(/C=C/c1[nH]cc[nH+]1)N1CC[NH+](CCO)CC1 ZINC000493069115 354487953 /nfs/dbraw/zinc/48/79/53/354487953.db2.gz FXZOZCZYVFCDDN-OWOJBTEDSA-N 2 2 250.302 -0.441 20 0 CBADLP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493290130 354493397 /nfs/dbraw/zinc/49/33/97/354493397.db2.gz IQPQJVVMLZRNNN-SGUJLRQBSA-N 2 2 291.355 -0.121 20 0 CBADLP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493290130 354493401 /nfs/dbraw/zinc/49/34/01/354493401.db2.gz IQPQJVVMLZRNNN-SGUJLRQBSA-N 2 2 291.355 -0.121 20 0 CBADLP CC(C[NH+](C)[C@H]1CCNC1=O)C[N@H+](C)[C@H]1CCNC1=O ZINC000535379312 354601869 /nfs/dbraw/zinc/60/18/69/354601869.db2.gz ZTUKUWKADZKUKM-RYUDHWBXSA-N 2 2 282.388 -0.737 20 0 CBADLP CC(C[NH+](C)[C@H]1CCNC1=O)C[N@@H+](C)[C@H]1CCNC1=O ZINC000535379312 354601870 /nfs/dbraw/zinc/60/18/70/354601870.db2.gz ZTUKUWKADZKUKM-RYUDHWBXSA-N 2 2 282.388 -0.737 20 0 CBADLP COC(=O)C[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000515842753 354556987 /nfs/dbraw/zinc/55/69/87/354556987.db2.gz BUWHGXFNVJBQIN-GZMMTYOYSA-N 2 2 261.297 -0.963 20 0 CBADLP COCC(C)(C)CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000519591746 354563548 /nfs/dbraw/zinc/56/35/48/354563548.db2.gz CZXKKQUNSCPAKV-NSHDSACASA-N 2 2 272.393 -0.057 20 0 CBADLP COCC(C)(C)CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000519591746 354563552 /nfs/dbraw/zinc/56/35/52/354563552.db2.gz CZXKKQUNSCPAKV-NSHDSACASA-N 2 2 272.393 -0.057 20 0 CBADLP CC(C[NH+](C)[C@@H]1CCNC1=O)C[N@H+](C)[C@@H]1CCNC1=O ZINC000535379313 354601581 /nfs/dbraw/zinc/60/15/81/354601581.db2.gz ZTUKUWKADZKUKM-VXGBXAGGSA-N 2 2 282.388 -0.737 20 0 CBADLP CC(C[NH+](C)[C@@H]1CCNC1=O)C[N@@H+](C)[C@@H]1CCNC1=O ZINC000535379313 354601582 /nfs/dbraw/zinc/60/15/82/354601582.db2.gz ZTUKUWKADZKUKM-VXGBXAGGSA-N 2 2 282.388 -0.737 20 0 CBADLP CN1CC[N@H+](C)C[C@H]1CNc1cc[nH+]cc1C(N)=O ZINC000547280680 354657952 /nfs/dbraw/zinc/65/79/52/354657952.db2.gz LEQDUJOCGSZWCF-SNVBAGLBSA-N 2 2 263.345 -0.740 20 0 CBADLP CN1CC[N@@H+](C)C[C@H]1CNc1cc[nH+]cc1C(N)=O ZINC000547280680 354657954 /nfs/dbraw/zinc/65/79/54/354657954.db2.gz LEQDUJOCGSZWCF-SNVBAGLBSA-N 2 2 263.345 -0.740 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@H]1CCC[NH2+]C1 ZINC000557151130 354685156 /nfs/dbraw/zinc/68/51/56/354685156.db2.gz KCHXHDGDKQXIEE-NEPJUHHUSA-N 2 2 270.377 -0.242 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N[C@H]1CCC[NH2+]C1 ZINC000557151130 354685159 /nfs/dbraw/zinc/68/51/59/354685159.db2.gz KCHXHDGDKQXIEE-NEPJUHHUSA-N 2 2 270.377 -0.242 20 0 CBADLP C[N@@H+]1CCN(C(=O)NC[C@@H]2CCCO2)[C@H](C[NH3+])C1 ZINC000557078029 354685480 /nfs/dbraw/zinc/68/54/80/354685480.db2.gz HHJIZJADVWNKSL-MNOVXSKESA-N 2 2 256.350 -0.550 20 0 CBADLP C[N@H+]1CCN(C(=O)NC[C@@H]2CCCO2)[C@H](C[NH3+])C1 ZINC000557078029 354685483 /nfs/dbraw/zinc/68/54/83/354685483.db2.gz HHJIZJADVWNKSL-MNOVXSKESA-N 2 2 256.350 -0.550 20 0 CBADLP CC(C)N1C[C@H](NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])CC1=O ZINC000557167164 354685515 /nfs/dbraw/zinc/68/55/15/354685515.db2.gz JZUXRCIZXVNEEA-NEPJUHHUSA-N 2 2 297.403 -0.720 20 0 CBADLP CC(C)N1C[C@H](NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])CC1=O ZINC000557167164 354685518 /nfs/dbraw/zinc/68/55/18/354685518.db2.gz JZUXRCIZXVNEEA-NEPJUHHUSA-N 2 2 297.403 -0.720 20 0 CBADLP CC[N@@H+]1CCOC[C@H]1C(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000562637908 354687204 /nfs/dbraw/zinc/68/72/04/354687204.db2.gz CEIHKGFORLNAGY-AWEZNQCLSA-N 2 2 298.431 -0.587 20 0 CBADLP CC[N@H+]1CCOC[C@H]1C(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000562637908 354687205 /nfs/dbraw/zinc/68/72/05/354687205.db2.gz CEIHKGFORLNAGY-AWEZNQCLSA-N 2 2 298.431 -0.587 20 0 CBADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]C[C@@]2(C)CCC(=O)N2)C[C@H](C)O1 ZINC000563000788 354691914 /nfs/dbraw/zinc/69/19/14/354691914.db2.gz NKTFVYNLYZZRAA-QVHKTLOISA-N 2 2 299.415 -0.285 20 0 CBADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]C[C@@]2(C)CCC(=O)N2)C[C@H](C)O1 ZINC000563000788 354691915 /nfs/dbraw/zinc/69/19/15/354691915.db2.gz NKTFVYNLYZZRAA-QVHKTLOISA-N 2 2 299.415 -0.285 20 0 CBADLP Cc1[nH+]ccn1CCCN(C)C(=O)CN1CC[NH2+]CC1=O ZINC000563091244 354695848 /nfs/dbraw/zinc/69/58/48/354695848.db2.gz UFDLONDTRVUWSE-UHFFFAOYSA-N 2 2 293.371 -0.528 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000563105774 354696654 /nfs/dbraw/zinc/69/66/54/354696654.db2.gz XFYFIXRKAGCBBY-NSHDSACASA-N 2 2 270.377 -0.689 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000563105774 354696655 /nfs/dbraw/zinc/69/66/55/354696655.db2.gz XFYFIXRKAGCBBY-NSHDSACASA-N 2 2 270.377 -0.689 20 0 CBADLP C[N@@H+]1CCN(C(=O)CCOC[C@H]2CCCO2)[C@H](C[NH3+])C1 ZINC000563102174 354696720 /nfs/dbraw/zinc/69/67/20/354696720.db2.gz ZWPPCKZJFXYDCA-CHWSQXEVSA-N 2 2 285.388 -0.327 20 0 CBADLP C[N@H+]1CCN(C(=O)CCOC[C@H]2CCCO2)[C@H](C[NH3+])C1 ZINC000563102174 354696723 /nfs/dbraw/zinc/69/67/23/354696723.db2.gz ZWPPCKZJFXYDCA-CHWSQXEVSA-N 2 2 285.388 -0.327 20 0 CBADLP C[N@@H+]1CCN(C(=O)CCOC[C@H]2CCCO2)[C@@H](C[NH3+])C1 ZINC000563102176 354696842 /nfs/dbraw/zinc/69/68/42/354696842.db2.gz ZWPPCKZJFXYDCA-QWHCGFSZSA-N 2 2 285.388 -0.327 20 0 CBADLP C[N@H+]1CCN(C(=O)CCOC[C@H]2CCCO2)[C@@H](C[NH3+])C1 ZINC000563102176 354696845 /nfs/dbraw/zinc/69/68/45/354696845.db2.gz ZWPPCKZJFXYDCA-QWHCGFSZSA-N 2 2 285.388 -0.327 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)c2cn(CCC[NH3+])nn2)CCO1 ZINC000563198869 354702080 /nfs/dbraw/zinc/70/20/80/354702080.db2.gz PITMSVZFZBPETR-NSHDSACASA-N 2 2 296.375 -0.923 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)c2cn(CCC[NH3+])nn2)CCO1 ZINC000563198869 354702082 /nfs/dbraw/zinc/70/20/82/354702082.db2.gz PITMSVZFZBPETR-NSHDSACASA-N 2 2 296.375 -0.923 20 0 CBADLP C[C@H]([C@H](C)NC(=O)[C@H]1C[C@@H]([NH3+])C1)[NH+]1CCOCC1 ZINC000563203302 354702685 /nfs/dbraw/zinc/70/26/85/354702685.db2.gz TUILYMIJDZVVAY-WHOHXGKFSA-N 2 2 255.362 -0.051 20 0 CBADLP COC[C@@H]1CCN(C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])C1 ZINC000563888712 354707225 /nfs/dbraw/zinc/70/72/25/354707225.db2.gz CNWRVJDXTUBDSG-VXGBXAGGSA-N 2 2 270.377 -0.351 20 0 CBADLP COC[C@@H]1CCN(C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])C1 ZINC000563888712 354707226 /nfs/dbraw/zinc/70/72/26/354707226.db2.gz CNWRVJDXTUBDSG-VXGBXAGGSA-N 2 2 270.377 -0.351 20 0 CBADLP COC(=O)Cn1cc(C[NH2+]CCC[NH+]2CCC2)nn1 ZINC000565217158 354733023 /nfs/dbraw/zinc/73/30/23/354733023.db2.gz KUQOQESYYNBQBD-UHFFFAOYSA-N 2 2 267.333 -0.364 20 0 CBADLP COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@]2(C)CC[NH2+]C2)C1 ZINC000564081970 354710185 /nfs/dbraw/zinc/71/01/85/354710185.db2.gz OVBOWUNHALVWOU-WFASDCNBSA-N 2 2 297.399 -0.013 20 0 CBADLP COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@@]2(C)CC[NH2+]C2)C1 ZINC000564081970 354710189 /nfs/dbraw/zinc/71/01/89/354710189.db2.gz OVBOWUNHALVWOU-WFASDCNBSA-N 2 2 297.399 -0.013 20 0 CBADLP COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@]2(C)CC[NH2+]C2)C1 ZINC000564081969 354710225 /nfs/dbraw/zinc/71/02/25/354710225.db2.gz OVBOWUNHALVWOU-SWLSCSKDSA-N 2 2 297.399 -0.013 20 0 CBADLP COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@]2(C)CC[NH2+]C2)C1 ZINC000564081969 354710227 /nfs/dbraw/zinc/71/02/27/354710227.db2.gz OVBOWUNHALVWOU-SWLSCSKDSA-N 2 2 297.399 -0.013 20 0 CBADLP O[C@H](C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1)CN1CCOCC1 ZINC000564202833 354710625 /nfs/dbraw/zinc/71/06/25/354710625.db2.gz CGZGYUAWMXSASW-NWDGAFQWSA-N 2 2 280.372 -0.450 20 0 CBADLP O[C@H](C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1)CN1CCOCC1 ZINC000564202833 354710628 /nfs/dbraw/zinc/71/06/28/354710628.db2.gz CGZGYUAWMXSASW-NWDGAFQWSA-N 2 2 280.372 -0.450 20 0 CBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cn(C)nn1 ZINC000564754285 354716728 /nfs/dbraw/zinc/71/67/28/354716728.db2.gz BIYMFJJIJHCXLT-UHFFFAOYSA-N 2 2 294.403 -0.087 20 0 CBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cn(C)nn1 ZINC000564754285 354716729 /nfs/dbraw/zinc/71/67/29/354716729.db2.gz BIYMFJJIJHCXLT-UHFFFAOYSA-N 2 2 294.403 -0.087 20 0 CBADLP C[C@H](C[NH2+]C[C@H](O)C[NH+]1CCCC1)S(C)(=O)=O ZINC000564974183 354722936 /nfs/dbraw/zinc/72/29/36/354722936.db2.gz CQBZHGKPORSCTM-MNOVXSKESA-N 2 2 264.391 -0.534 20 0 CBADLP NC(=O)NC(=O)CC[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000564975851 354723520 /nfs/dbraw/zinc/72/35/20/354723520.db2.gz NKZCXZIVDPDHKL-JTQLQIEISA-N 2 2 272.349 -0.992 20 0 CBADLP NC(=O)NC(=O)CC[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000564975851 354723523 /nfs/dbraw/zinc/72/35/23/354723523.db2.gz NKZCXZIVDPDHKL-JTQLQIEISA-N 2 2 272.349 -0.992 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000564986662 354723570 /nfs/dbraw/zinc/72/35/70/354723570.db2.gz BTSOWMQTJRNGAE-UONOGXRCSA-N 3 2 280.416 -0.308 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000564986662 354723574 /nfs/dbraw/zinc/72/35/74/354723574.db2.gz BTSOWMQTJRNGAE-UONOGXRCSA-N 3 2 280.416 -0.308 20 0 CBADLP O=C(CC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21)N1CC[NH2+]CC1 ZINC000564989571 354724571 /nfs/dbraw/zinc/72/45/71/354724571.db2.gz RKPNDHVUXGQRDY-NEPJUHHUSA-N 3 2 252.362 -0.898 20 0 CBADLP O=C(CC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21)N1CC[NH2+]CC1 ZINC000564989571 354724576 /nfs/dbraw/zinc/72/45/76/354724576.db2.gz RKPNDHVUXGQRDY-NEPJUHHUSA-N 3 2 252.362 -0.898 20 0 CBADLP COC(=O)CCNC(=O)C[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000564989854 354725059 /nfs/dbraw/zinc/72/50/59/354725059.db2.gz QWKBPMHHXWOSHB-LBPRGKRZSA-N 2 2 259.350 -0.371 20 0 CBADLP C[NH2+]C[C@](C)(O)C[N@H+](C)CC(=O)NCCCOC ZINC000565093466 354728016 /nfs/dbraw/zinc/72/80/16/354728016.db2.gz RRSZTHMTBCPJOY-LBPRGKRZSA-N 2 2 261.366 -0.959 20 0 CBADLP C[NH2+]C[C@](C)(O)C[N@@H+](C)CC(=O)NCCCOC ZINC000565093466 354728019 /nfs/dbraw/zinc/72/80/19/354728019.db2.gz RRSZTHMTBCPJOY-LBPRGKRZSA-N 2 2 261.366 -0.959 20 0 CBADLP COC(=O)[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[N@H+](C)C1 ZINC000565096527 354728239 /nfs/dbraw/zinc/72/82/39/354728239.db2.gz TXCIWYQZYLNUJU-NSHDSACASA-N 2 2 280.328 -0.554 20 0 CBADLP COC(=O)[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[N@@H+](C)C1 ZINC000565096527 354728243 /nfs/dbraw/zinc/72/82/43/354728243.db2.gz TXCIWYQZYLNUJU-NSHDSACASA-N 2 2 280.328 -0.554 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(NC(=O)NC)CC1 ZINC000565172903 354730557 /nfs/dbraw/zinc/73/05/57/354730557.db2.gz RNXLRDSMWOGOAD-LBPRGKRZSA-N 2 2 272.393 -0.308 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(NC(=O)NC)CC1 ZINC000565172903 354730559 /nfs/dbraw/zinc/73/05/59/354730559.db2.gz RNXLRDSMWOGOAD-LBPRGKRZSA-N 2 2 272.393 -0.308 20 0 CBADLP Cc1c(CCC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cnn1C ZINC000565776461 354745987 /nfs/dbraw/zinc/74/59/87/354745987.db2.gz JWAWGVGNHUTCDS-ZDUSSCGKSA-N 2 2 279.388 -0.238 20 0 CBADLP Cc1c(CCC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cnn1C ZINC000565776461 354745990 /nfs/dbraw/zinc/74/59/90/354745990.db2.gz JWAWGVGNHUTCDS-ZDUSSCGKSA-N 2 2 279.388 -0.238 20 0 CBADLP O=C(C[C@@H]1COCC[NH2+]1)NCCNc1cccc[nH+]1 ZINC000567584917 354790567 /nfs/dbraw/zinc/79/05/67/354790567.db2.gz FPANISRWQFVKNF-LLVKDONJSA-N 2 2 264.329 -0.012 20 0 CBADLP O=C(CNC(=O)c1ccc2[nH+]ccn2c1)N1CC[NH2+]CC1 ZINC000566204343 354757016 /nfs/dbraw/zinc/75/70/16/354757016.db2.gz UAPOBMLACXMIJO-UHFFFAOYSA-N 2 2 287.323 -0.504 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)C[C@H]2CCC[NH2+]2)CCO1 ZINC000566286440 354761916 /nfs/dbraw/zinc/76/19/16/354761916.db2.gz NMWAOMDRXYHQFT-NWDGAFQWSA-N 2 2 255.362 -0.035 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)C[C@H]2CCC[NH2+]2)CCO1 ZINC000566286440 354761918 /nfs/dbraw/zinc/76/19/18/354761918.db2.gz NMWAOMDRXYHQFT-NWDGAFQWSA-N 2 2 255.362 -0.035 20 0 CBADLP CN(Cc1cnn(C)c1)C(=O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000566304205 354762227 /nfs/dbraw/zinc/76/22/27/354762227.db2.gz SICVYUYCMFGNCB-BETUJISGSA-N 2 2 277.372 -0.470 20 0 CBADLP CN(Cc1cnn(C)c1)C(=O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000566304205 354762230 /nfs/dbraw/zinc/76/22/30/354762230.db2.gz SICVYUYCMFGNCB-BETUJISGSA-N 2 2 277.372 -0.470 20 0 CBADLP COc1c(N)[nH+]cnc1N1CC[NH+](CCCO)CC1 ZINC000566477860 354769111 /nfs/dbraw/zinc/76/91/11/354769111.db2.gz JOZRIWKMFCFUFE-UHFFFAOYSA-N 2 2 267.333 -0.428 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(N2CN=NC2=O)CC1 ZINC000566687172 354773841 /nfs/dbraw/zinc/77/38/41/354773841.db2.gz XAYQWBUDOGQAOX-GFCCVEGCSA-N 2 2 283.376 -0.067 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(N2CN=NC2=O)CC1 ZINC000566687172 354773842 /nfs/dbraw/zinc/77/38/42/354773842.db2.gz XAYQWBUDOGQAOX-GFCCVEGCSA-N 2 2 283.376 -0.067 20 0 CBADLP NC(=O)c1csc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c1 ZINC000566749448 354774590 /nfs/dbraw/zinc/77/45/90/354774590.db2.gz SNWURKLHLNLPFA-KOLCDFICSA-N 2 2 294.380 -0.409 20 0 CBADLP NC(=O)c1csc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c1 ZINC000566749448 354774592 /nfs/dbraw/zinc/77/45/92/354774592.db2.gz SNWURKLHLNLPFA-KOLCDFICSA-N 2 2 294.380 -0.409 20 0 CBADLP C[C@@H](C(=O)N(C)C1(C[NH3+])CCC1)[NH+]1CCN(C)CC1 ZINC000566974589 354779043 /nfs/dbraw/zinc/77/90/43/354779043.db2.gz BCMAWWOKUSHIIS-LBPRGKRZSA-N 2 2 268.405 -0.038 20 0 CBADLP C[N@@H+]1CCN(C(=O)N[C@H](C[NH3+])C2CCCC2)[C@@H](C[NH3+])C1 ZINC000567031380 354779829 /nfs/dbraw/zinc/77/98/29/354779829.db2.gz KDJSPWLUTZKZMY-QWHCGFSZSA-N 3 2 283.420 -0.212 20 0 CBADLP C[N@H+]1CCN(C(=O)N[C@H](C[NH3+])C2CCCC2)[C@@H](C[NH3+])C1 ZINC000567031380 354779830 /nfs/dbraw/zinc/77/98/30/354779830.db2.gz KDJSPWLUTZKZMY-QWHCGFSZSA-N 3 2 283.420 -0.212 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(CS(N)(=O)=O)CC1 ZINC000567120523 354781602 /nfs/dbraw/zinc/78/16/02/354781602.db2.gz FLFLVFUOXCOVKG-LBPRGKRZSA-N 2 2 293.433 -0.701 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(CS(N)(=O)=O)CC1 ZINC000567120523 354781603 /nfs/dbraw/zinc/78/16/03/354781603.db2.gz FLFLVFUOXCOVKG-LBPRGKRZSA-N 2 2 293.433 -0.701 20 0 CBADLP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000567271654 354785074 /nfs/dbraw/zinc/78/50/74/354785074.db2.gz DZDRSRWVCPQGQG-KBUPBQIOSA-N 3 2 282.432 -0.363 20 0 CBADLP COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]([NH3+])C(C)C)C1 ZINC000567383606 354786535 /nfs/dbraw/zinc/78/65/35/354786535.db2.gz NCCFCKLQRWSCIM-AAEUAGOBSA-N 2 2 285.388 -0.029 20 0 CBADLP COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]([NH3+])C(C)C)C1 ZINC000567383606 354786536 /nfs/dbraw/zinc/78/65/36/354786536.db2.gz NCCFCKLQRWSCIM-AAEUAGOBSA-N 2 2 285.388 -0.029 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N(C)[C@@H](C)C[NH3+] ZINC000567383644 354786701 /nfs/dbraw/zinc/78/67/01/354786701.db2.gz PHZFUZYCFBSIBD-JTQLQIEISA-N 2 2 258.366 -0.752 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N(C)[C@@H](C)C[NH3+] ZINC000567383644 354786704 /nfs/dbraw/zinc/78/67/04/354786704.db2.gz PHZFUZYCFBSIBD-JTQLQIEISA-N 2 2 258.366 -0.752 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000565489188 354739660 /nfs/dbraw/zinc/73/96/60/354739660.db2.gz OXEAQVWZGRMZRB-UONOGXRCSA-N 2 2 297.403 -0.280 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000565489188 354739661 /nfs/dbraw/zinc/73/96/61/354739661.db2.gz OXEAQVWZGRMZRB-UONOGXRCSA-N 2 2 297.403 -0.280 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000565489188 354739662 /nfs/dbraw/zinc/73/96/62/354739662.db2.gz OXEAQVWZGRMZRB-UONOGXRCSA-N 2 2 297.403 -0.280 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000565489188 354739663 /nfs/dbraw/zinc/73/96/63/354739663.db2.gz OXEAQVWZGRMZRB-UONOGXRCSA-N 2 2 297.403 -0.280 20 0 CBADLP C[C@@H](NC(=O)C1CCCC1)C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000565537188 354740364 /nfs/dbraw/zinc/74/03/64/354740364.db2.gz LMYOPLVJGNAMSC-DGCLKSJQSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@@H](NC(=O)C1CCCC1)C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000565537188 354740365 /nfs/dbraw/zinc/74/03/65/354740365.db2.gz LMYOPLVJGNAMSC-DGCLKSJQSA-N 2 2 296.415 -0.217 20 0 CBADLP CC[C@@H]1C[C@@H](C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])CC(=O)N1 ZINC000567830131 354799927 /nfs/dbraw/zinc/79/99/27/354799927.db2.gz QNOVEODPTJZUBC-UTUOFQBUSA-N 2 2 282.388 -0.608 20 0 CBADLP CC[C@@H]1C[C@@H](C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])CC(=O)N1 ZINC000567830131 354799929 /nfs/dbraw/zinc/79/99/29/354799929.db2.gz QNOVEODPTJZUBC-UTUOFQBUSA-N 2 2 282.388 -0.608 20 0 CBADLP CNc1nc(NC[C@H]2C[NH2+]CCN2C)[nH+]c2ccccc21 ZINC000568849371 354833261 /nfs/dbraw/zinc/83/32/61/354833261.db2.gz GGBPYEWSZREHFY-LLVKDONJSA-N 2 2 286.383 -0.169 20 0 CBADLP C[NH+]1CCN(C(=O)CCN2CC[C@@H]3OCC[NH2+][C@@H]3C2)CC1 ZINC000568050768 354809458 /nfs/dbraw/zinc/80/94/58/354809458.db2.gz DWWBZEVJKABOAT-KGLIPLIRSA-N 2 2 296.415 -0.787 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@@H]3OCCN[C@@H]3C2)CC1 ZINC000568050768 354809460 /nfs/dbraw/zinc/80/94/60/354809460.db2.gz DWWBZEVJKABOAT-KGLIPLIRSA-N 2 2 296.415 -0.787 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@@H]3OCCN[C@@H]3C2)CC1 ZINC000568050768 354809464 /nfs/dbraw/zinc/80/94/64/354809464.db2.gz DWWBZEVJKABOAT-KGLIPLIRSA-N 2 2 296.415 -0.787 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1CS(=O)(=O)NC ZINC000568164964 354812510 /nfs/dbraw/zinc/81/25/10/354812510.db2.gz DVWBUIJTXQJTMJ-RYUDHWBXSA-N 2 2 293.433 -0.687 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1CS(=O)(=O)NC ZINC000568164964 354812511 /nfs/dbraw/zinc/81/25/11/354812511.db2.gz DVWBUIJTXQJTMJ-RYUDHWBXSA-N 2 2 293.433 -0.687 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000568164964 354812512 /nfs/dbraw/zinc/81/25/12/354812512.db2.gz DVWBUIJTXQJTMJ-RYUDHWBXSA-N 2 2 293.433 -0.687 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000568164964 354812513 /nfs/dbraw/zinc/81/25/13/354812513.db2.gz DVWBUIJTXQJTMJ-RYUDHWBXSA-N 2 2 293.433 -0.687 20 0 CBADLP CC(C)(C)CCNC(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000568267632 354818889 /nfs/dbraw/zinc/81/88/89/354818889.db2.gz KAYULECWVJONFF-NWDGAFQWSA-N 2 2 296.415 -0.217 20 0 CBADLP CC(C)(C)CCNC(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000568267632 354818892 /nfs/dbraw/zinc/81/88/92/354818892.db2.gz KAYULECWVJONFF-NWDGAFQWSA-N 2 2 296.415 -0.217 20 0 CBADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](CCn3ccc([N+](=O)[O-])n3)CCN2C1=O ZINC000568268441 354819422 /nfs/dbraw/zinc/81/94/22/354819422.db2.gz XIZKRPSDPQFJDA-NXEZZACHSA-N 2 2 294.315 -0.965 20 0 CBADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](CCn3ccc([N+](=O)[O-])n3)CCN2C1=O ZINC000568268441 354819424 /nfs/dbraw/zinc/81/94/24/354819424.db2.gz XIZKRPSDPQFJDA-NXEZZACHSA-N 2 2 294.315 -0.965 20 0 CBADLP O=C(NCC[NH+]1CCOCC1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000568371081 354821531 /nfs/dbraw/zinc/82/15/31/354821531.db2.gz ZMLRQEAUJALKPP-ZDUSSCGKSA-N 2 2 282.388 -0.146 20 0 CBADLP CO[C@@H]1CCC[C@H]1NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000570667062 354867310 /nfs/dbraw/zinc/86/73/10/354867310.db2.gz BTMOKBZXGUXGIA-QJPTWQEYSA-N 2 2 270.377 -0.162 20 0 CBADLP CO[C@@H]1CCC[C@H]1NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000570667062 354867314 /nfs/dbraw/zinc/86/73/14/354867314.db2.gz BTMOKBZXGUXGIA-QJPTWQEYSA-N 2 2 270.377 -0.162 20 0 CBADLP CNS(=O)(=O)[C@@H]1CCC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000570928164 354873121 /nfs/dbraw/zinc/87/31/21/354873121.db2.gz UBZSLDCSGAYZGW-NEPJUHHUSA-N 2 2 275.418 0.000 20 0 CBADLP CNS(=O)(=O)[C@@H]1CCC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000570928164 354873125 /nfs/dbraw/zinc/87/31/25/354873125.db2.gz UBZSLDCSGAYZGW-NEPJUHHUSA-N 2 2 275.418 0.000 20 0 CBADLP COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H](C)[NH3+])C1 ZINC000570962333 354873444 /nfs/dbraw/zinc/87/34/44/354873444.db2.gz WTRGHKDXDNGIKD-ZJUUUORDSA-N 2 2 257.334 -0.665 20 0 CBADLP C[C@H](C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)[NH+]1CC(C)C1 ZINC000570938997 354873806 /nfs/dbraw/zinc/87/38/06/354873806.db2.gz BJILYGDGIOIPCH-KGLIPLIRSA-N 2 2 299.415 -0.522 20 0 CBADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)NCCCN1CCCC1=O ZINC000571058261 354875953 /nfs/dbraw/zinc/87/59/53/354875953.db2.gz RQMVIBDARMCMPP-CHWSQXEVSA-N 2 2 296.415 -0.073 20 0 CBADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)NCCCN1CCCC1=O ZINC000571058261 354875955 /nfs/dbraw/zinc/87/59/55/354875955.db2.gz RQMVIBDARMCMPP-CHWSQXEVSA-N 2 2 296.415 -0.073 20 0 CBADLP Cn1cc[nH+]c1[C@@H]1CN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)CCN1C ZINC000571043737 354876210 /nfs/dbraw/zinc/87/62/10/354876210.db2.gz BOLDFSUYJWRTIN-TUAOUCFPSA-N 2 2 295.362 -0.065 20 0 CBADLP C[C@@H]1CN(C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])C[C@@]1(C)C[NH3+] ZINC000571062862 354877051 /nfs/dbraw/zinc/87/70/51/354877051.db2.gz ABKAURJWWXKMKY-YRGRVCCFSA-N 3 2 283.420 -0.402 20 0 CBADLP C[C@@H]1CN(C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])C[C@@]1(C)C[NH3+] ZINC000571062862 354877052 /nfs/dbraw/zinc/87/70/52/354877052.db2.gz ABKAURJWWXKMKY-YRGRVCCFSA-N 3 2 283.420 -0.402 20 0 CBADLP C[C@H](C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1)[NH+]1CCN(C)CC1 ZINC000571683546 354878181 /nfs/dbraw/zinc/87/81/81/354878181.db2.gz SUUSAPSZEUDOLB-MGPQQGTHSA-N 2 2 280.416 -0.167 20 0 CBADLP [NH3+]CCNC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000569728931 354845127 /nfs/dbraw/zinc/84/51/27/354845127.db2.gz XJOMBUADRJGXJK-AWEZNQCLSA-N 3 2 287.367 -0.124 20 0 CBADLP CN1C[C@H]([N@H+](C)CC(=O)N2CC[NH+](C)CC2)CCC1=O ZINC000570104555 354854591 /nfs/dbraw/zinc/85/45/91/354854591.db2.gz LRUOUHIROHVQIA-GFCCVEGCSA-N 2 2 282.388 -0.687 20 0 CBADLP CN1C[C@H]([N@@H+](C)CC(=O)N2CC[NH+](C)CC2)CCC1=O ZINC000570104555 354854593 /nfs/dbraw/zinc/85/45/93/354854593.db2.gz LRUOUHIROHVQIA-GFCCVEGCSA-N 2 2 282.388 -0.687 20 0 CBADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](CCOCC(F)F)CCN2C1=O ZINC000570108387 354854871 /nfs/dbraw/zinc/85/48/71/354854871.db2.gz VIPCOZLVPXXJBS-RKDXNWHRSA-N 2 2 263.288 -0.488 20 0 CBADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](CCOCC(F)F)CCN2C1=O ZINC000570108387 354854877 /nfs/dbraw/zinc/85/48/77/354854877.db2.gz VIPCOZLVPXXJBS-RKDXNWHRSA-N 2 2 263.288 -0.488 20 0 CBADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000571999090 354884337 /nfs/dbraw/zinc/88/43/37/354884337.db2.gz JKYRFMJNBOSVRM-KGLIPLIRSA-N 2 2 297.447 -0.032 20 0 CBADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000571999090 354884341 /nfs/dbraw/zinc/88/43/41/354884341.db2.gz JKYRFMJNBOSVRM-KGLIPLIRSA-N 2 2 297.447 -0.032 20 0 CBADLP CC[C@@H]1C[NH+](C)CCN1C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000571999090 354884344 /nfs/dbraw/zinc/88/43/44/354884344.db2.gz JKYRFMJNBOSVRM-KGLIPLIRSA-N 2 2 297.447 -0.032 20 0 CBADLP CC[C@@H]1C[NH+](C)CCN1C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000571999090 354884348 /nfs/dbraw/zinc/88/43/48/354884348.db2.gz JKYRFMJNBOSVRM-KGLIPLIRSA-N 2 2 297.447 -0.032 20 0 CBADLP CCN1C[C@H]([NH2+]C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1=O ZINC000572114312 354886340 /nfs/dbraw/zinc/88/63/40/354886340.db2.gz NJIGWETXOUIDIY-XJFOESAGSA-N 2 2 299.415 -0.333 20 0 CBADLP CCN1C[C@H]([NH2+]C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1=O ZINC000572114312 354886347 /nfs/dbraw/zinc/88/63/47/354886347.db2.gz NJIGWETXOUIDIY-XJFOESAGSA-N 2 2 299.415 -0.333 20 0 CBADLP C[N@H+](C[C@H](O)C[NH+]1CC[C@@H](CO)[C@H](O)C1)C1CC1 ZINC000572207567 354888353 /nfs/dbraw/zinc/88/83/53/354888353.db2.gz BWIVCHCTOZYLJQ-WCFLWFBJSA-N 2 2 258.362 -0.883 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH+]1CC[C@@H](CO)[C@H](O)C1)C1CC1 ZINC000572207567 354888357 /nfs/dbraw/zinc/88/83/57/354888357.db2.gz BWIVCHCTOZYLJQ-WCFLWFBJSA-N 2 2 258.362 -0.883 20 0 CBADLP C[NH+](C[C@H](O)C[N@@H+]1CC[C@@H](CO)[C@H](O)C1)C1CC1 ZINC000572207567 354888359 /nfs/dbraw/zinc/88/83/59/354888359.db2.gz BWIVCHCTOZYLJQ-WCFLWFBJSA-N 2 2 258.362 -0.883 20 0 CBADLP C[NH+](C[C@H](O)C[N@H+]1CC[C@@H](CO)[C@H](O)C1)C1CC1 ZINC000572207567 354888362 /nfs/dbraw/zinc/88/83/62/354888362.db2.gz BWIVCHCTOZYLJQ-WCFLWFBJSA-N 2 2 258.362 -0.883 20 0 CBADLP C(NC1=[NH+]CCCN1)C1([NH+]2CCOCC2)CCOCC1 ZINC000572257334 354890666 /nfs/dbraw/zinc/89/06/66/354890666.db2.gz MOGKOHNFEPMIFK-UHFFFAOYSA-N 2 2 282.388 -0.193 20 0 CBADLP C[C@H]1C[N@H+](CCO)CCN1C(=O)C[NH+]1CC(C)(C)C1 ZINC000572496432 354892288 /nfs/dbraw/zinc/89/22/88/354892288.db2.gz MCUKQZNLRZSHJU-LBPRGKRZSA-N 2 2 269.389 -0.147 20 0 CBADLP C[C@H]1C[N@@H+](CCO)CCN1C(=O)C[NH+]1CC(C)(C)C1 ZINC000572496432 354892292 /nfs/dbraw/zinc/89/22/92/354892292.db2.gz MCUKQZNLRZSHJU-LBPRGKRZSA-N 2 2 269.389 -0.147 20 0 CBADLP Cn1cc[nH+]c1CN1CCN(C(=O)C[NH2+]C2CC2)CC1 ZINC000572479721 354892629 /nfs/dbraw/zinc/89/26/29/354892629.db2.gz GLFGUCDAVXMSHK-UHFFFAOYSA-N 2 2 277.372 -0.184 20 0 CBADLP CC[C@@H]1C[N@H+](C)CCN1C[C@@H](O)C[NH+]1CCOCC1 ZINC000572633947 354894206 /nfs/dbraw/zinc/89/42/06/354894206.db2.gz ULERLBIJZXFSFM-KGLIPLIRSA-N 2 2 271.405 -0.295 20 0 CBADLP CC[C@@H]1C[N@@H+](C)CCN1C[C@@H](O)C[NH+]1CCOCC1 ZINC000572633947 354894209 /nfs/dbraw/zinc/89/42/09/354894209.db2.gz ULERLBIJZXFSFM-KGLIPLIRSA-N 2 2 271.405 -0.295 20 0 CBADLP CC[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+](CC(=O)OC)C1 ZINC000572958729 354901144 /nfs/dbraw/zinc/90/11/44/354901144.db2.gz GOKRHTTZRXZOKH-MNOVXSKESA-N 2 2 271.361 -0.275 20 0 CBADLP CC[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+](CC(=O)OC)C1 ZINC000572958729 354901145 /nfs/dbraw/zinc/90/11/45/354901145.db2.gz GOKRHTTZRXZOKH-MNOVXSKESA-N 2 2 271.361 -0.275 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H](c2cnn(C)c2)[C@H](CO)C1 ZINC000573132611 354905956 /nfs/dbraw/zinc/90/59/56/354905956.db2.gz DKWLXZJOVLCEOY-ZNMIVQPWSA-N 2 2 296.415 -0.260 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H](c2cnn(C)c2)[C@H](CO)C1 ZINC000573132611 354905960 /nfs/dbraw/zinc/90/59/60/354905960.db2.gz DKWLXZJOVLCEOY-ZNMIVQPWSA-N 2 2 296.415 -0.260 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H](c2cnn(C)c2)[C@H](CO)C1 ZINC000573132611 354905962 /nfs/dbraw/zinc/90/59/62/354905962.db2.gz DKWLXZJOVLCEOY-ZNMIVQPWSA-N 2 2 296.415 -0.260 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H](c2cnn(C)c2)[C@H](CO)C1 ZINC000573132611 354905967 /nfs/dbraw/zinc/90/59/67/354905967.db2.gz DKWLXZJOVLCEOY-ZNMIVQPWSA-N 2 2 296.415 -0.260 20 0 CBADLP CC1CC[NH+](CCNC[C@@H](O)C[NH+]2CCN(C)CC2)CC1 ZINC000573236615 354908084 /nfs/dbraw/zinc/90/80/84/354908084.db2.gz GPTXUOMDRIDIFL-MRXNPFEDSA-N 2 2 298.475 -0.084 20 0 CBADLP CN(C)c1[nH+]cc(CNC(=O)Cn2cc[nH+]c2)n1C ZINC000573262844 354909115 /nfs/dbraw/zinc/90/91/15/354909115.db2.gz QXNQDDVRFMNKGX-UHFFFAOYSA-N 2 2 262.317 -0.001 20 0 CBADLP C[C@H]1C[C@@H](C(=O)NC[C@H]2C[NH+]3CCN2CC3)CC[NH2+]1 ZINC000373561474 291044997 /nfs/dbraw/zinc/04/49/97/291044997.db2.gz JHEMVSWDLNTFOM-AVGNSLFASA-N 2 2 266.389 -0.510 20 0 CBADLP COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000573337211 354910228 /nfs/dbraw/zinc/91/02/28/354910228.db2.gz JTSXSPQYAPVWKT-JQWIXIFHSA-N 2 2 294.355 -0.048 20 0 CBADLP COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC000573337211 354910231 /nfs/dbraw/zinc/91/02/31/354910231.db2.gz JTSXSPQYAPVWKT-JQWIXIFHSA-N 2 2 294.355 -0.048 20 0 CBADLP CN1CC[N@H+](C)[C@H](CNC(=O)CC2(C[NH3+])CC2)C1 ZINC000573362537 354911283 /nfs/dbraw/zinc/91/12/83/354911283.db2.gz HPDONYYMWOQKLP-LLVKDONJSA-N 2 2 254.378 -0.523 20 0 CBADLP CN1CC[N@@H+](C)[C@H](CNC(=O)CC2(C[NH3+])CC2)C1 ZINC000573362537 354911286 /nfs/dbraw/zinc/91/12/86/354911286.db2.gz HPDONYYMWOQKLP-LLVKDONJSA-N 2 2 254.378 -0.523 20 0 CBADLP C[N@H+](C[C@H](O)C[NH2+]CCC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000573357854 354911318 /nfs/dbraw/zinc/91/13/18/354911318.db2.gz CSRFKYAARDFJNH-CQSZACIVSA-N 3 2 298.431 -0.805 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH2+]CCC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000573357854 354911322 /nfs/dbraw/zinc/91/13/22/354911322.db2.gz CSRFKYAARDFJNH-CQSZACIVSA-N 3 2 298.431 -0.805 20 0 CBADLP CCCCNC(=O)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000571821161 354881039 /nfs/dbraw/zinc/88/10/39/354881039.db2.gz KDMDQUBJXBHLSD-MNOVXSKESA-N 2 2 268.361 -0.854 20 0 CBADLP C[N@@H+]1CCN(C(=O)N[C@H]2C[NH2+]CCC2(F)F)[C@@H](C[NH3+])C1 ZINC000571865976 354882002 /nfs/dbraw/zinc/88/20/02/354882002.db2.gz AMOFTWIKIHFXAB-UWVGGRQHSA-N 3 2 291.346 -0.732 20 0 CBADLP C[N@H+]1CCN(C(=O)N[C@H]2C[NH2+]CCC2(F)F)[C@@H](C[NH3+])C1 ZINC000571865976 354882004 /nfs/dbraw/zinc/88/20/04/354882004.db2.gz AMOFTWIKIHFXAB-UWVGGRQHSA-N 3 2 291.346 -0.732 20 0 CBADLP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)Nc1cc[nH+]cc1O ZINC000579004271 354960218 /nfs/dbraw/zinc/96/02/18/354960218.db2.gz XBEUXDWYZSCOOO-SNVBAGLBSA-N 2 2 278.312 -0.594 20 0 CBADLP C[C@H](C[C@H](C)[NH3+])NC(=O)NCC[NH+]1CCOCC1 ZINC000575044114 354933114 /nfs/dbraw/zinc/93/31/14/354933114.db2.gz HKXOTFDDDPPRAP-WDEREUQCSA-N 2 2 258.366 -0.256 20 0 CBADLP CC[C@H](COC)NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000575108535 354934180 /nfs/dbraw/zinc/93/41/80/354934180.db2.gz QARLPZZMRCFPCF-GHMZBOCLSA-N 2 2 258.366 -0.304 20 0 CBADLP CC[C@H](COC)NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000575108535 354934181 /nfs/dbraw/zinc/93/41/81/354934181.db2.gz QARLPZZMRCFPCF-GHMZBOCLSA-N 2 2 258.366 -0.304 20 0 CBADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](C[C@H](O)CN2CCOCC2)C1 ZINC000575069162 354934343 /nfs/dbraw/zinc/93/43/43/354934343.db2.gz PPYUSOMCZCCSFQ-UONOGXRCSA-N 2 2 294.399 -0.098 20 0 CBADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](C[C@H](O)CN2CCOCC2)C1 ZINC000575069162 354934346 /nfs/dbraw/zinc/93/43/46/354934346.db2.gz PPYUSOMCZCCSFQ-UONOGXRCSA-N 2 2 294.399 -0.098 20 0 CBADLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)C[C@H]1CCC[NH2+]C1 ZINC000578237056 354942071 /nfs/dbraw/zinc/94/20/71/354942071.db2.gz XYMWCRWLFXXVGI-LBPRGKRZSA-N 3 2 254.378 -0.650 20 0 CBADLP C[N@H+](CC(=O)N1CC[NH2+]CC1)C[C@H]1CCC[NH2+]C1 ZINC000578237056 354942072 /nfs/dbraw/zinc/94/20/72/354942072.db2.gz XYMWCRWLFXXVGI-LBPRGKRZSA-N 3 2 254.378 -0.650 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2CCC(CC[NH3+])CC2)CC1 ZINC000578331038 354943511 /nfs/dbraw/zinc/94/35/11/354943511.db2.gz BRJCTVXAFYKSHU-UHFFFAOYSA-N 2 2 296.415 -0.262 20 0 CBADLP CCOC[C@H](O)C[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000578523144 354948831 /nfs/dbraw/zinc/94/88/31/354948831.db2.gz NXYBEMFUULTXNS-QWHCGFSZSA-N 2 2 260.378 -0.058 20 0 CBADLP C[C@@H](CC(=O)NCCN1CC[NH2+]CC1)n1cc[nH+]c1 ZINC000578782127 354955675 /nfs/dbraw/zinc/95/56/75/354955675.db2.gz IFUKZQIZZCXGTR-LBPRGKRZSA-N 2 2 265.361 -0.144 20 0 CBADLP Cc1cc(=O)[nH]cc1C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000578892950 354957299 /nfs/dbraw/zinc/95/72/99/354957299.db2.gz GLQOETWLQVNADC-SNVBAGLBSA-N 2 2 264.329 -0.189 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@H]1CCC(=O)N(C)C1 ZINC000579124925 354962630 /nfs/dbraw/zinc/96/26/30/354962630.db2.gz YKGUEWRADOUVQH-RYUDHWBXSA-N 2 2 257.378 -0.148 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@H]1CCC(=O)N(C)C1 ZINC000579124925 354962635 /nfs/dbraw/zinc/96/26/35/354962635.db2.gz YKGUEWRADOUVQH-RYUDHWBXSA-N 2 2 257.378 -0.148 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@H]1CCC(=O)N(C)C1 ZINC000579124925 354962642 /nfs/dbraw/zinc/96/26/42/354962642.db2.gz YKGUEWRADOUVQH-RYUDHWBXSA-N 2 2 257.378 -0.148 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@H]1CCC(=O)N(C)C1 ZINC000579124925 354962645 /nfs/dbraw/zinc/96/26/45/354962645.db2.gz YKGUEWRADOUVQH-RYUDHWBXSA-N 2 2 257.378 -0.148 20 0 CBADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000579123179 354963405 /nfs/dbraw/zinc/96/34/05/354963405.db2.gz NQAJCNSNQMRHST-JOYOIKCWSA-N 2 2 254.334 -0.355 20 0 CBADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000579123179 354963407 /nfs/dbraw/zinc/96/34/07/354963407.db2.gz NQAJCNSNQMRHST-JOYOIKCWSA-N 2 2 254.334 -0.355 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000579229013 354965156 /nfs/dbraw/zinc/96/51/56/354965156.db2.gz WACUFKNCEOZKBG-NWDGAFQWSA-N 2 2 284.404 -0.362 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000579229013 354965159 /nfs/dbraw/zinc/96/51/59/354965159.db2.gz WACUFKNCEOZKBG-NWDGAFQWSA-N 2 2 284.404 -0.362 20 0 CBADLP OCC1(C[NH+]2CCC(CO)([NH2+]CC3CC3)CC2)COC1 ZINC000579236640 354965391 /nfs/dbraw/zinc/96/53/91/354965391.db2.gz DYXUUTWMHJQPLG-UHFFFAOYSA-N 2 2 284.400 -0.178 20 0 CBADLP C[NH2+]C[C@](C)(O)C[NH+]1CCN(c2ncccn2)CC1 ZINC000579246662 354966355 /nfs/dbraw/zinc/96/63/55/354966355.db2.gz IPWWJLPFOCWURE-ZDUSSCGKSA-N 2 2 265.361 -0.431 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(S(=O)(=O)NC)CC1 ZINC000579254522 354966416 /nfs/dbraw/zinc/96/64/16/354966416.db2.gz LYOBMEBVZQDDDC-LLVKDONJSA-N 2 2 293.433 -0.687 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(S(=O)(=O)NC)CC1 ZINC000579254522 354966419 /nfs/dbraw/zinc/96/64/19/354966419.db2.gz LYOBMEBVZQDDDC-LLVKDONJSA-N 2 2 293.433 -0.687 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@@H](C)CCC[NH3+] ZINC000579352913 354968137 /nfs/dbraw/zinc/96/81/37/354968137.db2.gz LVORWFLCIIEBHU-NSHDSACASA-N 2 2 272.393 -0.314 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@@H](C)CCC[NH3+] ZINC000579352913 354968138 /nfs/dbraw/zinc/96/81/38/354968138.db2.gz LVORWFLCIIEBHU-NSHDSACASA-N 2 2 272.393 -0.314 20 0 CBADLP C[N@H+]1CCN(C(=O)N[C@H]2CC(=O)N(C3CC3)C2)[C@@H](C[NH3+])C1 ZINC000580053724 354986012 /nfs/dbraw/zinc/98/60/12/354986012.db2.gz JYKYIZMXVKKGLF-JQWIXIFHSA-N 2 2 295.387 -0.966 20 0 CBADLP CC(C)([NH3+])C[N@@H+]1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000580326650 354993711 /nfs/dbraw/zinc/99/37/11/354993711.db2.gz WOCWGOOQLASNGB-CHWSQXEVSA-N 3 2 295.431 -0.056 20 0 CBADLP CC(C)([NH3+])C[N@H+]1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000580326650 354993714 /nfs/dbraw/zinc/99/37/14/354993714.db2.gz WOCWGOOQLASNGB-CHWSQXEVSA-N 3 2 295.431 -0.056 20 0 CBADLP COC[C@@H](NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])C(C)C ZINC000580704198 354995507 /nfs/dbraw/zinc/99/55/07/354995507.db2.gz QODXZNRSTVIGEZ-NWDGAFQWSA-N 2 2 272.393 -0.058 20 0 CBADLP COC[C@@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])C(C)C ZINC000580704198 354995510 /nfs/dbraw/zinc/99/55/10/354995510.db2.gz QODXZNRSTVIGEZ-NWDGAFQWSA-N 2 2 272.393 -0.058 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000584524810 355031228 /nfs/dbraw/zinc/03/12/28/355031228.db2.gz JQQVETSWLWEDFS-ZIAGYGMSSA-N 3 2 270.421 -0.722 20 0 CBADLP C[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000584524810 355031230 /nfs/dbraw/zinc/03/12/30/355031230.db2.gz JQQVETSWLWEDFS-ZIAGYGMSSA-N 3 2 270.421 -0.722 20 0 CBADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@H]2CC(=O)N(C)C2)C[C@@H](C)O1 ZINC000584834366 355038999 /nfs/dbraw/zinc/03/89/99/355038999.db2.gz KTTVIWCTTFAUGU-FVCCEPFGSA-N 2 2 285.388 -0.723 20 0 CBADLP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000584837797 355039956 /nfs/dbraw/zinc/03/99/56/355039956.db2.gz JYYNAZCVDPNZJE-QWRGUYRKSA-N 2 2 282.388 -0.608 20 0 CBADLP CCC(C)(C)NC(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000584849758 355040907 /nfs/dbraw/zinc/04/09/07/355040907.db2.gz LEZBIIJLTZKFIW-GHMZBOCLSA-N 2 2 282.388 -0.465 20 0 CBADLP CCC(C)(C)NC(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000584849758 355040908 /nfs/dbraw/zinc/04/09/08/355040908.db2.gz LEZBIIJLTZKFIW-GHMZBOCLSA-N 2 2 282.388 -0.465 20 0 CBADLP CCO[C@@H]1COC[C@H]1[NH2+]C[C@@H](O)C[N@H+](C)CCOC ZINC000581378848 355005561 /nfs/dbraw/zinc/00/55/61/355005561.db2.gz VIEDAGTXMLZPRI-JHJVBQTASA-N 2 2 276.377 -0.681 20 0 CBADLP CCO[C@@H]1COC[C@H]1[NH2+]C[C@@H](O)C[N@@H+](C)CCOC ZINC000581378848 355005563 /nfs/dbraw/zinc/00/55/63/355005563.db2.gz VIEDAGTXMLZPRI-JHJVBQTASA-N 2 2 276.377 -0.681 20 0 CBADLP Cn1cccc(C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c1=O ZINC000582061188 355006465 /nfs/dbraw/zinc/00/64/65/355006465.db2.gz DKRKQOKYOWCROZ-SNVBAGLBSA-N 2 2 264.329 -0.900 20 0 CBADLP Cn1cccc(C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c1=O ZINC000582061188 355006469 /nfs/dbraw/zinc/00/64/69/355006469.db2.gz DKRKQOKYOWCROZ-SNVBAGLBSA-N 2 2 264.329 -0.900 20 0 CBADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CCC(=O)N(C)C)C[C@@H](C)O1 ZINC000582176116 355009347 /nfs/dbraw/zinc/00/93/47/355009347.db2.gz CKIAPRFXFFTJGE-UPJWGTAASA-N 2 2 287.404 -0.476 20 0 CBADLP CN(C)c1ncc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cn1 ZINC000582229444 355010291 /nfs/dbraw/zinc/01/02/91/355010291.db2.gz SIXARKGBXYIKKU-LLVKDONJSA-N 2 2 293.375 -0.351 20 0 CBADLP CN(C)c1ncc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cn1 ZINC000582229444 355010293 /nfs/dbraw/zinc/01/02/93/355010293.db2.gz SIXARKGBXYIKKU-LLVKDONJSA-N 2 2 293.375 -0.351 20 0 CBADLP Cc1cc(CNC(=O)CNC(=O)C[NH3+])cc(C)[nH+]1 ZINC000582358962 355014690 /nfs/dbraw/zinc/01/46/90/355014690.db2.gz DDSBAJURZOWZMY-UHFFFAOYSA-N 2 2 250.302 -0.610 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000583499165 355017899 /nfs/dbraw/zinc/01/78/99/355017899.db2.gz TYSUZGVRIMIQQG-UHFFFAOYSA-N 2 2 296.415 -0.203 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000583499165 355017901 /nfs/dbraw/zinc/01/79/01/355017901.db2.gz TYSUZGVRIMIQQG-UHFFFAOYSA-N 2 2 296.415 -0.203 20 0 CBADLP CC(C)CNC(=O)[C@H](C)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000583511184 355018974 /nfs/dbraw/zinc/01/89/74/355018974.db2.gz SGLCIVYLYXQWIM-QJPTWQEYSA-N 2 2 282.388 -0.609 20 0 CBADLP CC(C)CNC(=O)[C@H](C)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000583511184 355018977 /nfs/dbraw/zinc/01/89/77/355018977.db2.gz SGLCIVYLYXQWIM-QJPTWQEYSA-N 2 2 282.388 -0.609 20 0 CBADLP C[C@H](NC(=O)C(C)(C)C)C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000583993196 355026199 /nfs/dbraw/zinc/02/61/99/355026199.db2.gz FRRNADPBJNLVET-WDEREUQCSA-N 2 2 284.404 -0.362 20 0 CBADLP C[C@H](NC(=O)C(C)(C)C)C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000583993196 355026201 /nfs/dbraw/zinc/02/62/01/355026201.db2.gz FRRNADPBJNLVET-WDEREUQCSA-N 2 2 284.404 -0.362 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+](CCO)[C@H]1CCO[C@@H]1C ZINC000584002095 355027585 /nfs/dbraw/zinc/02/75/85/355027585.db2.gz LZOPQEWRQKIYON-AGIUHOORSA-N 2 2 260.378 -0.229 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+](CCO)[C@H]1CCO[C@@H]1C ZINC000584002095 355027589 /nfs/dbraw/zinc/02/75/89/355027589.db2.gz LZOPQEWRQKIYON-AGIUHOORSA-N 2 2 260.378 -0.229 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@H+](CCO)[C@H]1CCO[C@@H]1C ZINC000584002095 355027591 /nfs/dbraw/zinc/02/75/91/355027591.db2.gz LZOPQEWRQKIYON-AGIUHOORSA-N 2 2 260.378 -0.229 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@@H+](CCO)[C@H]1CCO[C@@H]1C ZINC000584002095 355027596 /nfs/dbraw/zinc/02/75/96/355027596.db2.gz LZOPQEWRQKIYON-AGIUHOORSA-N 2 2 260.378 -0.229 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000585718289 355049043 /nfs/dbraw/zinc/04/90/43/355049043.db2.gz BKBJWPOAYDJKRM-NEPJUHHUSA-N 2 2 298.387 -0.244 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000585718289 355049046 /nfs/dbraw/zinc/04/90/46/355049046.db2.gz BKBJWPOAYDJKRM-NEPJUHHUSA-N 2 2 298.387 -0.244 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC000591460624 355096318 /nfs/dbraw/zinc/09/63/18/355096318.db2.gz UAXPABLQZMGRAU-VXGBXAGGSA-N 2 2 255.362 -0.225 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC000591460624 355096320 /nfs/dbraw/zinc/09/63/20/355096320.db2.gz UAXPABLQZMGRAU-VXGBXAGGSA-N 2 2 255.362 -0.225 20 0 CBADLP C[C@@H]1COCC[NH+]1CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000591460624 355096321 /nfs/dbraw/zinc/09/63/21/355096321.db2.gz UAXPABLQZMGRAU-VXGBXAGGSA-N 2 2 255.362 -0.225 20 0 CBADLP C[C@@H]1COCC[NH+]1CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000591460624 355096323 /nfs/dbraw/zinc/09/63/23/355096323.db2.gz UAXPABLQZMGRAU-VXGBXAGGSA-N 2 2 255.362 -0.225 20 0 CBADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H]2CCC[NH2+]2)[C@H](C)C1 ZINC000592564688 355165578 /nfs/dbraw/zinc/16/55/78/355165578.db2.gz PCQBDVJTXBOFII-VXGBXAGGSA-N 2 2 283.372 -0.166 20 0 CBADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@H]2CCC[NH2+]2)[C@H](C)C1 ZINC000592564688 355165580 /nfs/dbraw/zinc/16/55/80/355165580.db2.gz PCQBDVJTXBOFII-VXGBXAGGSA-N 2 2 283.372 -0.166 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](O)C[N@H+](CCn2cc[nH+]c2)C1 ZINC000592193350 355137974 /nfs/dbraw/zinc/13/79/74/355137974.db2.gz FEOCZPYYEIOEAA-GHMZBOCLSA-N 2 2 253.302 -0.261 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](CCn2cc[nH+]c2)C1 ZINC000592193350 355137979 /nfs/dbraw/zinc/13/79/79/355137979.db2.gz FEOCZPYYEIOEAA-GHMZBOCLSA-N 2 2 253.302 -0.261 20 0 CBADLP COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000592780562 355170949 /nfs/dbraw/zinc/17/09/49/355170949.db2.gz MVUHSWNOWZGPNN-JLLWLGSASA-N 2 2 294.355 -0.050 20 0 CBADLP COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000592780562 355170951 /nfs/dbraw/zinc/17/09/51/355170951.db2.gz MVUHSWNOWZGPNN-JLLWLGSASA-N 2 2 294.355 -0.050 20 0 CBADLP COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000592780562 355170952 /nfs/dbraw/zinc/17/09/52/355170952.db2.gz MVUHSWNOWZGPNN-JLLWLGSASA-N 2 2 294.355 -0.050 20 0 CBADLP COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000592780562 355170954 /nfs/dbraw/zinc/17/09/54/355170954.db2.gz MVUHSWNOWZGPNN-JLLWLGSASA-N 2 2 294.355 -0.050 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[NH2+]C[C@@H]2C(=O)OC)C1 ZINC000592962715 355187670 /nfs/dbraw/zinc/18/76/70/355187670.db2.gz HNBSEFIJQFEQCT-VXGBXAGGSA-N 2 2 299.371 -0.929 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)N2CCC[NH2+]C[C@@H]2C(=O)OC)C1 ZINC000592962715 355187673 /nfs/dbraw/zinc/18/76/73/355187673.db2.gz HNBSEFIJQFEQCT-VXGBXAGGSA-N 2 2 299.371 -0.929 20 0 CBADLP CSC[C@H](O)C[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593050826 355190823 /nfs/dbraw/zinc/19/08/23/355190823.db2.gz JJHINXKBTVTNTR-LLVKDONJSA-N 2 2 275.418 -0.584 20 0 CBADLP CSC[C@H](O)C[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593050826 355190825 /nfs/dbraw/zinc/19/08/25/355190825.db2.gz JJHINXKBTVTNTR-LLVKDONJSA-N 2 2 275.418 -0.584 20 0 CBADLP COC(=O)[C@H](CC(C)C)NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000593901790 355226419 /nfs/dbraw/zinc/22/64/19/355226419.db2.gz IMEUVGOGGHKUKM-QWRGUYRKSA-N 2 2 273.377 -0.031 20 0 CBADLP CCOC(=O)[C@H](C)[C@H](C)NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000593907445 355226897 /nfs/dbraw/zinc/22/68/97/355226897.db2.gz OVCISVFNROUDJE-VWYCJHECSA-N 2 2 273.377 -0.031 20 0 CBADLP CC(C)OC(=O)[C@@H](C)CNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000593909975 355227794 /nfs/dbraw/zinc/22/77/94/355227794.db2.gz OUEZKBDFWLUURF-WDEREUQCSA-N 2 2 273.377 -0.031 20 0 CBADLP COC(=O)c1ccc(CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)o1 ZINC000593909719 355227816 /nfs/dbraw/zinc/22/78/16/355227816.db2.gz LQHOBCHFSCNRNZ-JTQLQIEISA-N 2 2 283.328 -0.039 20 0 CBADLP COC(=O)c1ccc(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)o1 ZINC000593909720 355227961 /nfs/dbraw/zinc/22/79/61/355227961.db2.gz LQHOBCHFSCNRNZ-SNVBAGLBSA-N 2 2 283.328 -0.039 20 0 CBADLP Cc1nn(C)cc1C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000594737011 355259384 /nfs/dbraw/zinc/25/93/84/355259384.db2.gz VREZJKHVMXOUBD-VXGBXAGGSA-N 2 2 263.345 -0.528 20 0 CBADLP Cc1nn(C)cc1C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000594737011 355259388 /nfs/dbraw/zinc/25/93/88/355259388.db2.gz VREZJKHVMXOUBD-VXGBXAGGSA-N 2 2 263.345 -0.528 20 0 CBADLP COC(=O)c1cn(CC[NH2+]Cc2c[nH+]c3n2CCC3)nn1 ZINC000594940873 355270097 /nfs/dbraw/zinc/27/00/97/355270097.db2.gz OIPJMOZDQTZTPK-UHFFFAOYSA-N 2 2 290.327 -0.003 20 0 CBADLP COC(=O)[C@](C)(CO)[NH2+]CCCc1c[nH+]cn1C ZINC000595533544 355293060 /nfs/dbraw/zinc/29/30/60/355293060.db2.gz LDTYRYXOFOHJRM-LBPRGKRZSA-N 2 2 255.318 -0.134 20 0 CBADLP COC(=O)[C@H]1C[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000595891625 355314384 /nfs/dbraw/zinc/31/43/84/355314384.db2.gz JJPPQJSTGKMWHU-GHMZBOCLSA-N 2 2 270.329 -0.619 20 0 CBADLP COC(=O)[C@H]1C[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000595891625 355314386 /nfs/dbraw/zinc/31/43/86/355314386.db2.gz JJPPQJSTGKMWHU-GHMZBOCLSA-N 2 2 270.329 -0.619 20 0 CBADLP COC(=O)c1cn([C@H]2CC[N@H+](C[C@H]3C[NH2+]CCO3)C2)nn1 ZINC000595890826 355314696 /nfs/dbraw/zinc/31/46/96/355314696.db2.gz FJKCUQZWILOLDV-WDEREUQCSA-N 2 2 295.343 -0.700 20 0 CBADLP COC(=O)c1cn([C@H]2CC[N@@H+](C[C@H]3C[NH2+]CCO3)C2)nn1 ZINC000595890826 355314698 /nfs/dbraw/zinc/31/46/98/355314698.db2.gz FJKCUQZWILOLDV-WDEREUQCSA-N 2 2 295.343 -0.700 20 0 CBADLP COC(=O)CCN1CC[C@@H]([NH+]2CCC(C)([NH3+])CC2)C1=O ZINC000595895016 355315472 /nfs/dbraw/zinc/31/54/72/355315472.db2.gz AVGRWIHTPIKXQW-LLVKDONJSA-N 2 2 283.372 -0.036 20 0 CBADLP COC(=O)CCN1CC[C@H]([N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)C1=O ZINC000595895554 355315689 /nfs/dbraw/zinc/31/56/89/355315689.db2.gz PFLMICRWYYGYMF-AGIUHOORSA-N 2 2 295.383 -0.166 20 0 CBADLP COC(=O)CCN1CC[C@H]([N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)C1=O ZINC000595895554 355315692 /nfs/dbraw/zinc/31/56/92/355315692.db2.gz PFLMICRWYYGYMF-AGIUHOORSA-N 2 2 295.383 -0.166 20 0 CBADLP COC(=O)C[C@H]1C[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000595894285 355315757 /nfs/dbraw/zinc/31/57/57/355315757.db2.gz WQPMTHXCONTAIX-NEPJUHHUSA-N 2 2 284.356 -0.229 20 0 CBADLP COC(=O)C[C@H]1C[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000595894285 355315759 /nfs/dbraw/zinc/31/57/59/355315759.db2.gz WQPMTHXCONTAIX-NEPJUHHUSA-N 2 2 284.356 -0.229 20 0 CBADLP COC(=O)CCN1CC[C@H]([N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)C1=O ZINC000595895556 355315882 /nfs/dbraw/zinc/31/58/82/355315882.db2.gz PFLMICRWYYGYMF-UPJWGTAASA-N 2 2 295.383 -0.166 20 0 CBADLP COC(=O)CCN1CC[C@H]([N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)C1=O ZINC000595895556 355315885 /nfs/dbraw/zinc/31/58/85/355315885.db2.gz PFLMICRWYYGYMF-UPJWGTAASA-N 2 2 295.383 -0.166 20 0 CBADLP COC(=O)C12CC(C1)C[N@@H+]2CCN1CC[NH2+]CC1 ZINC000595903421 355316879 /nfs/dbraw/zinc/31/68/79/355316879.db2.gz QXOZHPVAYLHKTC-UHFFFAOYSA-N 2 2 253.346 -0.471 20 0 CBADLP COC(=O)C12CC(C1)C[N@H+]2CCN1CC[NH2+]CC1 ZINC000595903421 355316881 /nfs/dbraw/zinc/31/68/81/355316881.db2.gz QXOZHPVAYLHKTC-UHFFFAOYSA-N 2 2 253.346 -0.471 20 0 CBADLP CCc1nocc1C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000595903311 355317084 /nfs/dbraw/zinc/31/70/84/355317084.db2.gz TXOWXPRFNOVPCW-MNOVXSKESA-N 2 2 264.329 -0.019 20 0 CBADLP CCc1nocc1C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000595903311 355317087 /nfs/dbraw/zinc/31/70/87/355317087.db2.gz TXOWXPRFNOVPCW-MNOVXSKESA-N 2 2 264.329 -0.019 20 0 CBADLP COC(=O)CN(C)C(=O)CC[N@@H+]1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000595906290 355317741 /nfs/dbraw/zinc/31/77/41/355317741.db2.gz IZJGHQYAHMZHCS-NXEZZACHSA-N 2 2 275.324 -0.621 20 0 CBADLP COC(=O)CN(C)C(=O)CC[N@H+]1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000595906290 355317742 /nfs/dbraw/zinc/31/77/42/355317742.db2.gz IZJGHQYAHMZHCS-NXEZZACHSA-N 2 2 275.324 -0.621 20 0 CBADLP COC(=O)[C@H]1C[C@@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000595975130 355333336 /nfs/dbraw/zinc/33/33/36/355333336.db2.gz MYRDWZGOWAUPNO-AEJSXWLSSA-N 2 2 257.334 -0.667 20 0 CBADLP NC(=O)NC(=O)CC[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000599473894 355493370 /nfs/dbraw/zinc/49/33/70/355493370.db2.gz BGUKAJSUCMDLMW-UHFFFAOYSA-N 2 2 284.360 -0.632 20 0 CBADLP CC[S@@](=O)CC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000598770823 355453572 /nfs/dbraw/zinc/45/35/72/355453572.db2.gz YYWATINMKBISLW-GOSISDBHSA-N 2 2 277.434 -0.245 20 0 CBADLP CC[S@@](=O)CC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000598770823 355453573 /nfs/dbraw/zinc/45/35/73/355453573.db2.gz YYWATINMKBISLW-GOSISDBHSA-N 2 2 277.434 -0.245 20 0 CBADLP COC(=O)[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[N@H+](C)C1 ZINC000598792229 355454382 /nfs/dbraw/zinc/45/43/82/355454382.db2.gz IERCKACRYNTXPQ-NSHDSACASA-N 2 2 294.355 -0.095 20 0 CBADLP COC(=O)[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[N@@H+](C)C1 ZINC000598792229 355454384 /nfs/dbraw/zinc/45/43/84/355454384.db2.gz IERCKACRYNTXPQ-NSHDSACASA-N 2 2 294.355 -0.095 20 0 CBADLP COC(=O)[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[N@H+](C)C1 ZINC000598792945 355454969 /nfs/dbraw/zinc/45/49/69/355454969.db2.gz PYQQHQVUANUIIY-LLVKDONJSA-N 2 2 294.355 -0.474 20 0 CBADLP COC(=O)[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[N@@H+](C)C1 ZINC000598792945 355454973 /nfs/dbraw/zinc/45/49/73/355454973.db2.gz PYQQHQVUANUIIY-LLVKDONJSA-N 2 2 294.355 -0.474 20 0 CBADLP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000599018206 355459970 /nfs/dbraw/zinc/45/99/70/355459970.db2.gz HIKWNYFNLWEHAM-NNYUYHANSA-N 2 2 256.346 -0.160 20 0 CBADLP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000599018206 355459971 /nfs/dbraw/zinc/45/99/71/355459971.db2.gz HIKWNYFNLWEHAM-NNYUYHANSA-N 2 2 256.346 -0.160 20 0 CBADLP COC(=O)CC1CC([NH2+]CC[N@@H+]2CC[C@@H](O)C2)C1 ZINC000599084932 355462750 /nfs/dbraw/zinc/46/27/50/355462750.db2.gz GGSTZQBNHDYJQX-HTAVTVPLSA-N 2 2 256.346 -0.016 20 0 CBADLP COC(=O)CC1CC([NH2+]CC[N@H+]2CC[C@@H](O)C2)C1 ZINC000599084932 355462752 /nfs/dbraw/zinc/46/27/52/355462752.db2.gz GGSTZQBNHDYJQX-HTAVTVPLSA-N 2 2 256.346 -0.016 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)CN1CC[NH+](C)CC1 ZINC000599310897 355478923 /nfs/dbraw/zinc/47/89/23/355478923.db2.gz ATAXIWYXWXSUPC-CYBMUJFWSA-N 2 2 284.404 -0.929 20 0 CBADLP CN1CC[N@H+](C)[C@H](CNC(=O)N[C@@H]2CCC[NH+](C)C2)C1 ZINC000601269986 355582546 /nfs/dbraw/zinc/58/25/46/355582546.db2.gz JERJPFGYESBDKR-CHWSQXEVSA-N 2 2 283.420 -0.374 20 0 CBADLP CN1CC[N@@H+](C)[C@H](CNC(=O)N[C@@H]2CCC[NH+](C)C2)C1 ZINC000601269986 355582549 /nfs/dbraw/zinc/58/25/49/355582549.db2.gz JERJPFGYESBDKR-CHWSQXEVSA-N 2 2 283.420 -0.374 20 0 CBADLP CN1CC[NH+](C)[C@H](CNC(=O)N[C@@H]2CCC[N@H+](C)C2)C1 ZINC000601269986 355582552 /nfs/dbraw/zinc/58/25/52/355582552.db2.gz JERJPFGYESBDKR-CHWSQXEVSA-N 2 2 283.420 -0.374 20 0 CBADLP CN1CC[NH+](C)[C@H](CNC(=O)N[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000601269986 355582554 /nfs/dbraw/zinc/58/25/54/355582554.db2.gz JERJPFGYESBDKR-CHWSQXEVSA-N 2 2 283.420 -0.374 20 0 CBADLP CN1CC[N@H+](C)[C@H](CNC(=O)N[C@H]2CCC[NH+](C)C2)C1 ZINC000601269993 355582936 /nfs/dbraw/zinc/58/29/36/355582936.db2.gz JERJPFGYESBDKR-QWHCGFSZSA-N 2 2 283.420 -0.374 20 0 CBADLP CN1CC[N@@H+](C)[C@H](CNC(=O)N[C@H]2CCC[NH+](C)C2)C1 ZINC000601269993 355582938 /nfs/dbraw/zinc/58/29/38/355582938.db2.gz JERJPFGYESBDKR-QWHCGFSZSA-N 2 2 283.420 -0.374 20 0 CBADLP CN1CC[NH+](C)[C@H](CNC(=O)N[C@H]2CCC[N@H+](C)C2)C1 ZINC000601269993 355582941 /nfs/dbraw/zinc/58/29/41/355582941.db2.gz JERJPFGYESBDKR-QWHCGFSZSA-N 2 2 283.420 -0.374 20 0 CBADLP CN1CC[NH+](C)[C@H](CNC(=O)N[C@H]2CCC[N@@H+](C)C2)C1 ZINC000601269993 355582945 /nfs/dbraw/zinc/58/29/45/355582945.db2.gz JERJPFGYESBDKR-QWHCGFSZSA-N 2 2 283.420 -0.374 20 0 CBADLP NC(=O)NC(=O)CC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601334486 355588480 /nfs/dbraw/zinc/58/84/80/355588480.db2.gz LLTAXEHMDSWWAE-UWVGGRQHSA-N 2 2 254.334 -0.355 20 0 CBADLP NC(=O)NC(=O)CC[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601334486 355588484 /nfs/dbraw/zinc/58/84/84/355588484.db2.gz LLTAXEHMDSWWAE-UWVGGRQHSA-N 2 2 254.334 -0.355 20 0 CBADLP C[NH+]1CCN(CC(=O)NCCNc2cccc[nH+]2)CC1 ZINC000600938871 355570548 /nfs/dbraw/zinc/57/05/48/355570548.db2.gz RFEKAJZAYHZQFN-UHFFFAOYSA-N 2 2 277.372 -0.143 20 0 CBADLP C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000601004972 355575921 /nfs/dbraw/zinc/57/59/21/355575921.db2.gz HINISULXYNXNDT-OLZOCXBDSA-N 2 2 269.389 -0.004 20 0 CBADLP C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000601004972 355575925 /nfs/dbraw/zinc/57/59/25/355575925.db2.gz HINISULXYNXNDT-OLZOCXBDSA-N 2 2 269.389 -0.004 20 0 CBADLP CSCC[C@@H]([NH3+])C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000602546926 355660019 /nfs/dbraw/zinc/66/00/19/355660019.db2.gz NFBCBKQPAYVDNH-NXEZZACHSA-N 2 2 261.391 -0.486 20 0 CBADLP CSCC[C@@H]([NH3+])C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000602546926 355660022 /nfs/dbraw/zinc/66/00/22/355660022.db2.gz NFBCBKQPAYVDNH-NXEZZACHSA-N 2 2 261.391 -0.486 20 0 CBADLP COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000602024038 355625788 /nfs/dbraw/zinc/62/57/88/355625788.db2.gz ZLLRIYXCMZHCAA-XKNYDFJKSA-N 2 2 257.334 -0.478 20 0 CBADLP COC(=O)CNC(=O)C[NH2+]Cc1cccc2[nH+]ccn21 ZINC000602749156 355669631 /nfs/dbraw/zinc/66/96/31/355669631.db2.gz UZZUOTCXMSYFOO-UHFFFAOYSA-N 2 2 276.296 -0.287 20 0 CBADLP COC(=O)CNC(=O)C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000602749802 355669733 /nfs/dbraw/zinc/66/97/33/355669733.db2.gz MBXXNVDLOVBSGK-NXEZZACHSA-N 2 2 257.334 -0.652 20 0 CBADLP COC(=O)CNC(=O)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000602749802 355669734 /nfs/dbraw/zinc/66/97/34/355669734.db2.gz MBXXNVDLOVBSGK-NXEZZACHSA-N 2 2 257.334 -0.652 20 0 CBADLP C[NH+]1CCN(CC(=O)N2CC[NH+](C3CCC3)CC2)CC1 ZINC000603552148 355717942 /nfs/dbraw/zinc/71/79/42/355717942.db2.gz HDLPZXMKJRZRHL-UHFFFAOYSA-N 2 2 280.416 -0.070 20 0 CBADLP C[N@@H+]1CCC[C@@H](N2CC[NH+](CC(=O)NC3CC3)CC2)C1 ZINC000604389568 355725386 /nfs/dbraw/zinc/72/53/86/355725386.db2.gz CHQGFBRNEZGSHR-CQSZACIVSA-N 2 2 280.416 -0.023 20 0 CBADLP C[N@H+]1CCC[C@@H](N2CC[NH+](CC(=O)NC3CC3)CC2)C1 ZINC000604389568 355725387 /nfs/dbraw/zinc/72/53/87/355725387.db2.gz CHQGFBRNEZGSHR-CQSZACIVSA-N 2 2 280.416 -0.023 20 0 CBADLP CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000604749858 355728053 /nfs/dbraw/zinc/72/80/53/355728053.db2.gz DNSHRMMCGAJDGP-NEPJUHHUSA-N 2 2 255.362 -0.083 20 0 CBADLP CC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000604749858 355728055 /nfs/dbraw/zinc/72/80/55/355728055.db2.gz DNSHRMMCGAJDGP-NEPJUHHUSA-N 2 2 255.362 -0.083 20 0 CBADLP CC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000604749858 355728058 /nfs/dbraw/zinc/72/80/58/355728058.db2.gz DNSHRMMCGAJDGP-NEPJUHHUSA-N 2 2 255.362 -0.083 20 0 CBADLP CC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000604749858 355728061 /nfs/dbraw/zinc/72/80/61/355728061.db2.gz DNSHRMMCGAJDGP-NEPJUHHUSA-N 2 2 255.362 -0.083 20 0 CBADLP CC[NH+]1CCC([NH2+]CC(=O)NCC(=O)OC)CC1 ZINC000611442594 355802221 /nfs/dbraw/zinc/80/22/21/355802221.db2.gz DDJPZJAQJDJFKY-UHFFFAOYSA-N 2 2 257.334 -0.651 20 0 CBADLP CCC[NH+]1CCC([NH2+]CC(=O)NCC(=O)OC)CC1 ZINC000611540043 355804921 /nfs/dbraw/zinc/80/49/21/355804921.db2.gz DFYWSWSSCCNFPS-UHFFFAOYSA-N 2 2 271.361 -0.260 20 0 CBADLP CN1C[C@@H](C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)NC1=O ZINC000611973018 355817850 /nfs/dbraw/zinc/81/78/50/355817850.db2.gz FUVOHWPJUAPVPC-LBPRGKRZSA-N 2 2 297.403 -0.848 20 0 CBADLP CC(C)(C)OC(=O)CNC(=O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000612061126 355822056 /nfs/dbraw/zinc/82/20/56/355822056.db2.gz UGEBYLUBXUPZHU-QWRGUYRKSA-N 2 2 283.372 -0.405 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000612867555 355853478 /nfs/dbraw/zinc/85/34/78/355853478.db2.gz BQPSINCPODIWCZ-AAEUAGOBSA-N 2 2 270.377 -0.242 20 0 CBADLP C[N@@H+]1CCN(C(=O)NCCOCCF)[C@@H](C[NH3+])C1 ZINC000612936201 355857707 /nfs/dbraw/zinc/85/77/07/355857707.db2.gz VILRTORHTABONL-JTQLQIEISA-N 2 2 262.329 -0.743 20 0 CBADLP C[N@H+]1CCN(C(=O)NCCOCCF)[C@@H](C[NH3+])C1 ZINC000612936201 355857708 /nfs/dbraw/zinc/85/77/08/355857708.db2.gz VILRTORHTABONL-JTQLQIEISA-N 2 2 262.329 -0.743 20 0 CBADLP CCn1nccc1CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000612936755 355857983 /nfs/dbraw/zinc/85/79/83/355857983.db2.gz ZCAGHTMXRZPGRL-LBPRGKRZSA-N 2 2 280.376 -0.313 20 0 CBADLP CCn1nccc1CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000612936755 355857986 /nfs/dbraw/zinc/85/79/86/355857986.db2.gz ZCAGHTMXRZPGRL-LBPRGKRZSA-N 2 2 280.376 -0.313 20 0 CBADLP C[N@@H+]1CCN(C(=O)N[C@H]2CC23CC[NH2+]CC3)[C@@H](C[NH3+])C1 ZINC000612994406 355860619 /nfs/dbraw/zinc/86/06/19/355860619.db2.gz SNHVVSIWCCPPOW-RYUDHWBXSA-N 3 2 281.404 -0.587 20 0 CBADLP C[N@H+]1CCN(C(=O)N[C@H]2CC23CC[NH2+]CC3)[C@@H](C[NH3+])C1 ZINC000612994406 355860622 /nfs/dbraw/zinc/86/06/22/355860622.db2.gz SNHVVSIWCCPPOW-RYUDHWBXSA-N 3 2 281.404 -0.587 20 0 CBADLP C(=C/C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)\C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000613996127 355926672 /nfs/dbraw/zinc/92/66/72/355926672.db2.gz PWEDYBAZADZXAJ-ZIJPVPLASA-N 4 2 276.428 -0.155 20 0 CBADLP C(=C/C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)\C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000613996127 355926676 /nfs/dbraw/zinc/92/66/76/355926676.db2.gz PWEDYBAZADZXAJ-ZIJPVPLASA-N 4 2 276.428 -0.155 20 0 CBADLP C(=C/C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)\C[NH+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000613996108 355926877 /nfs/dbraw/zinc/92/68/77/355926877.db2.gz PWEDYBAZADZXAJ-NTXWRNLQSA-N 4 2 276.428 -0.155 20 0 CBADLP C(=C/C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)\C[NH+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000613996108 355926880 /nfs/dbraw/zinc/92/68/80/355926880.db2.gz PWEDYBAZADZXAJ-NTXWRNLQSA-N 4 2 276.428 -0.155 20 0 CBADLP C[NH+](C)C[C@@H](CO)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000614859001 355994039 /nfs/dbraw/zinc/99/40/39/355994039.db2.gz UIFHJOCHXHMEMQ-LBPRGKRZSA-N 2 2 280.372 -0.199 20 0 CBADLP C[C@H](CC(=O)N[C@@H](CO)C[NH+](C)C)n1cc[nH+]c1 ZINC000614859044 355995183 /nfs/dbraw/zinc/99/51/83/355995183.db2.gz VKFYYYHAILODEI-GHMZBOCLSA-N 2 2 254.334 -0.127 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000614510572 355966877 /nfs/dbraw/zinc/96/68/77/355966877.db2.gz ARZOTXANTHSIPU-ZDUSSCGKSA-N 2 2 277.372 -0.302 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000614510572 355966883 /nfs/dbraw/zinc/96/68/83/355966883.db2.gz ARZOTXANTHSIPU-ZDUSSCGKSA-N 2 2 277.372 -0.302 20 0 CBADLP CC[N@@H+]1CCOC[C@@H]1C(=O)N1CC(C[NH+]2CCOCC2)C1 ZINC000615145009 356010975 /nfs/dbraw/zinc/01/09/75/356010975.db2.gz LWGHCBHSCVPSSY-CQSZACIVSA-N 2 2 297.399 -0.502 20 0 CBADLP CC[N@H+]1CCOC[C@@H]1C(=O)N1CC(C[NH+]2CCOCC2)C1 ZINC000615145009 356010981 /nfs/dbraw/zinc/01/09/81/356010981.db2.gz LWGHCBHSCVPSSY-CQSZACIVSA-N 2 2 297.399 -0.502 20 0 CBADLP C[C@@H](NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)c1[nH]cc[nH+]1 ZINC000615159951 356012237 /nfs/dbraw/zinc/01/22/37/356012237.db2.gz FXJMDILEFBMYQV-MNOVXSKESA-N 2 2 293.371 -0.003 20 0 CBADLP C[C@H]1C[N@H+](CCO)CCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000616155405 356068999 /nfs/dbraw/zinc/06/89/99/356068999.db2.gz JXZHLKZWNMPHFG-STQMWFEESA-N 2 2 292.383 -0.030 20 0 CBADLP C[C@H]1C[N@@H+](CCO)CCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000616155405 356069003 /nfs/dbraw/zinc/06/90/03/356069003.db2.gz JXZHLKZWNMPHFG-STQMWFEESA-N 2 2 292.383 -0.030 20 0 CBADLP C[C@H]1C[N@H+](CCO)CCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000616155404 356069143 /nfs/dbraw/zinc/06/91/43/356069143.db2.gz JXZHLKZWNMPHFG-QWHCGFSZSA-N 2 2 292.383 -0.030 20 0 CBADLP C[C@H]1C[N@@H+](CCO)CCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000616155404 356069145 /nfs/dbraw/zinc/06/91/45/356069145.db2.gz JXZHLKZWNMPHFG-QWHCGFSZSA-N 2 2 292.383 -0.030 20 0 CBADLP C[C@H](CC(N)=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617764479 356155192 /nfs/dbraw/zinc/15/51/92/356155192.db2.gz ZIEKEPMBACKFHQ-LLVKDONJSA-N 2 2 272.393 -0.502 20 0 CBADLP C[C@H](CC(N)=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617764479 356155193 /nfs/dbraw/zinc/15/51/93/356155193.db2.gz ZIEKEPMBACKFHQ-LLVKDONJSA-N 2 2 272.393 -0.502 20 0 CBADLP C[C@H](CC(=O)NCC[N@H+](C)CCC[NH+](C)C)NC(N)=O ZINC000617763670 356155419 /nfs/dbraw/zinc/15/54/19/356155419.db2.gz XARLIUDAYLAPSV-LLVKDONJSA-N 2 2 287.408 -0.567 20 0 CBADLP C[C@H](CC(=O)NCC[N@@H+](C)CCC[NH+](C)C)NC(N)=O ZINC000617763670 356155422 /nfs/dbraw/zinc/15/54/22/356155422.db2.gz XARLIUDAYLAPSV-LLVKDONJSA-N 2 2 287.408 -0.567 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@]1(C)CCC(=O)NC1 ZINC000617764227 356155634 /nfs/dbraw/zinc/15/56/34/356155634.db2.gz OBDALZLPXPCIHV-HNNXBMFYSA-N 2 2 298.431 -0.098 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@]1(C)CCC(=O)NC1 ZINC000617764227 356155637 /nfs/dbraw/zinc/15/56/37/356155637.db2.gz OBDALZLPXPCIHV-HNNXBMFYSA-N 2 2 298.431 -0.098 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H](O)C1CC1 ZINC000617763903 356156029 /nfs/dbraw/zinc/15/60/29/356156029.db2.gz AWNXCYMSKPFJSU-GFCCVEGCSA-N 2 2 257.378 -0.243 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H](O)C1CC1 ZINC000617763903 356156031 /nfs/dbraw/zinc/15/60/31/356156031.db2.gz AWNXCYMSKPFJSU-GFCCVEGCSA-N 2 2 257.378 -0.243 20 0 CBADLP CNC(=O)C1(C(=O)NCC[N@H+](C)CCC[NH+](C)C)CCC1 ZINC000617766766 356156355 /nfs/dbraw/zinc/15/63/55/356156355.db2.gz UNFQYWGCRROJQM-UHFFFAOYSA-N 2 2 298.431 -0.098 20 0 CBADLP CNC(=O)C1(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)CCC1 ZINC000617766766 356156359 /nfs/dbraw/zinc/15/63/59/356156359.db2.gz UNFQYWGCRROJQM-UHFFFAOYSA-N 2 2 298.431 -0.098 20 0 CBADLP Cn1cc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)ccc1=O ZINC000617767398 356156610 /nfs/dbraw/zinc/15/66/10/356156610.db2.gz SPSYAQWXHAKQDQ-UHFFFAOYSA-N 2 2 294.399 -0.001 20 0 CBADLP Cn1cc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)ccc1=O ZINC000617767398 356156613 /nfs/dbraw/zinc/15/66/13/356156613.db2.gz SPSYAQWXHAKQDQ-UHFFFAOYSA-N 2 2 294.399 -0.001 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1CCC(=O)NC1 ZINC000617767523 356156622 /nfs/dbraw/zinc/15/66/22/356156622.db2.gz YWYAOQBDQYXQHY-GFCCVEGCSA-N 2 2 284.404 -0.488 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1CCC(=O)NC1 ZINC000617767523 356156625 /nfs/dbraw/zinc/15/66/25/356156625.db2.gz YWYAOQBDQYXQHY-GFCCVEGCSA-N 2 2 284.404 -0.488 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000617766349 356156897 /nfs/dbraw/zinc/15/68/97/356156897.db2.gz HDOKLBDCUCKROD-ZDUSSCGKSA-N 3 2 286.420 -0.683 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000617766349 356156900 /nfs/dbraw/zinc/15/69/00/356156900.db2.gz HDOKLBDCUCKROD-ZDUSSCGKSA-N 3 2 286.420 -0.683 20 0 CBADLP C[NH+](C)CCC[NH+](C)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000617766349 356156902 /nfs/dbraw/zinc/15/69/02/356156902.db2.gz HDOKLBDCUCKROD-ZDUSSCGKSA-N 3 2 286.420 -0.683 20 0 CBADLP C[NH+](C)CCC[NH+](C)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000617766349 356156907 /nfs/dbraw/zinc/15/69/07/356156907.db2.gz HDOKLBDCUCKROD-ZDUSSCGKSA-N 3 2 286.420 -0.683 20 0 CBADLP CN(CCC[NH+](C)C)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000617766349 356156908 /nfs/dbraw/zinc/15/69/08/356156908.db2.gz HDOKLBDCUCKROD-ZDUSSCGKSA-N 2 2 286.420 -0.683 20 0 CBADLP CN(CCC[NH+](C)C)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000617766349 356156912 /nfs/dbraw/zinc/15/69/12/356156912.db2.gz HDOKLBDCUCKROD-ZDUSSCGKSA-N 2 2 286.420 -0.683 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CCc1nnc[nH]1 ZINC000617765863 356157167 /nfs/dbraw/zinc/15/71/67/356157167.db2.gz TWHRZJQSKAMOGP-UHFFFAOYSA-N 2 2 282.392 -0.263 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CCc1nnc[nH]1 ZINC000617765863 356157170 /nfs/dbraw/zinc/15/71/70/356157170.db2.gz TWHRZJQSKAMOGP-UHFFFAOYSA-N 2 2 282.392 -0.263 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CCc1nc[nH]n1 ZINC000617765863 356157172 /nfs/dbraw/zinc/15/71/72/356157172.db2.gz TWHRZJQSKAMOGP-UHFFFAOYSA-N 2 2 282.392 -0.263 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CCc1nc[nH]n1 ZINC000617765863 356157175 /nfs/dbraw/zinc/15/71/75/356157175.db2.gz TWHRZJQSKAMOGP-UHFFFAOYSA-N 2 2 282.392 -0.263 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CN1CCCNC1=O ZINC000617767980 356157255 /nfs/dbraw/zinc/15/72/55/356157255.db2.gz KMEARBCFUAUQRH-UHFFFAOYSA-N 2 2 299.419 -0.599 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CN1CCCNC1=O ZINC000617767980 356157258 /nfs/dbraw/zinc/15/72/58/356157258.db2.gz KMEARBCFUAUQRH-UHFFFAOYSA-N 2 2 299.419 -0.599 20 0 CBADLP CC(=O)NCCC[NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000619741647 356226656 /nfs/dbraw/zinc/22/66/56/356226656.db2.gz BEJXPBIUJWTQKZ-OBJOEFQTSA-N 2 2 287.404 -0.428 20 0 CBADLP CC(C)[C@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)CC[NH2+]1 ZINC000621154915 356257859 /nfs/dbraw/zinc/25/78/59/356257859.db2.gz VCGINVIGOBXWHL-VXGBXAGGSA-N 2 2 255.362 -0.227 20 0 CBADLP CC(C)[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC[NH2+]1 ZINC000621154915 356257863 /nfs/dbraw/zinc/25/78/63/356257863.db2.gz VCGINVIGOBXWHL-VXGBXAGGSA-N 2 2 255.362 -0.227 20 0 CBADLP CNS(=O)(=O)CC[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000621259251 356261645 /nfs/dbraw/zinc/26/16/45/356261645.db2.gz PICBVEQCPOLTKN-NSHDSACASA-N 2 2 263.407 -0.191 20 0 CBADLP CNS(=O)(=O)CC[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000621259251 356261649 /nfs/dbraw/zinc/26/16/49/356261649.db2.gz PICBVEQCPOLTKN-NSHDSACASA-N 2 2 263.407 -0.191 20 0 CBADLP CNS(=O)(=O)CC[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000621259251 356261652 /nfs/dbraw/zinc/26/16/52/356261652.db2.gz PICBVEQCPOLTKN-NSHDSACASA-N 2 2 263.407 -0.191 20 0 CBADLP CNS(=O)(=O)CC[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000621259251 356261657 /nfs/dbraw/zinc/26/16/57/356261657.db2.gz PICBVEQCPOLTKN-NSHDSACASA-N 2 2 263.407 -0.191 20 0 CBADLP CNS(=O)(=O)CC[N@H+](C)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000621287424 356266337 /nfs/dbraw/zinc/26/63/37/356266337.db2.gz NDWFLLXYNVEWSF-LLVKDONJSA-N 2 2 286.401 -0.074 20 0 CBADLP CNS(=O)(=O)CC[N@@H+](C)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000621287424 356266338 /nfs/dbraw/zinc/26/63/38/356266338.db2.gz NDWFLLXYNVEWSF-LLVKDONJSA-N 2 2 286.401 -0.074 20 0 CBADLP CNS(=O)(=O)CC[N@H+](C)C[C@H]1CCn2cc[nH+]c2C1 ZINC000621287425 356266363 /nfs/dbraw/zinc/26/63/63/356266363.db2.gz NDWFLLXYNVEWSF-NSHDSACASA-N 2 2 286.401 -0.074 20 0 CBADLP CNS(=O)(=O)CC[N@@H+](C)C[C@H]1CCn2cc[nH+]c2C1 ZINC000621287425 356266366 /nfs/dbraw/zinc/26/63/66/356266366.db2.gz NDWFLLXYNVEWSF-NSHDSACASA-N 2 2 286.401 -0.074 20 0 CBADLP C[C@@H](NC(=O)[C@H]1C[N@@H+]2CCN1CCC2)c1[nH+]ccn1C ZINC000620603371 356246917 /nfs/dbraw/zinc/24/69/17/356246917.db2.gz HCNBJJWPEUZOCS-VXGBXAGGSA-N 2 2 277.372 -0.013 20 0 CBADLP C[C@@H](NC(=O)[C@H]1C[N@H+]2CCN1CCC2)c1[nH+]ccn1C ZINC000620603371 356246921 /nfs/dbraw/zinc/24/69/21/356246921.db2.gz HCNBJJWPEUZOCS-VXGBXAGGSA-N 2 2 277.372 -0.013 20 0 CBADLP [NH3+][C@@]12CCC[C@@H]1C[N@H+](CCN1C(=O)CCC1=O)C2 ZINC000621779980 356284697 /nfs/dbraw/zinc/28/46/97/356284697.db2.gz LXLMMXXGVQNCQU-ZWNOBZJWSA-N 2 2 251.330 -0.051 20 0 CBADLP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](CCN1C(=O)CCC1=O)C2 ZINC000621779980 356284698 /nfs/dbraw/zinc/28/46/98/356284698.db2.gz LXLMMXXGVQNCQU-ZWNOBZJWSA-N 2 2 251.330 -0.051 20 0 CBADLP COCC[N@H+](C)CCNC(=O)NC[C@H]1COCC[NH+]1C ZINC000623571595 356368251 /nfs/dbraw/zinc/36/82/51/356368251.db2.gz BQENHQAHFSEPFR-LBPRGKRZSA-N 2 2 288.392 -0.806 20 0 CBADLP COCC[N@@H+](C)CCNC(=O)NC[C@H]1COCC[NH+]1C ZINC000623571595 356368254 /nfs/dbraw/zinc/36/82/54/356368254.db2.gz BQENHQAHFSEPFR-LBPRGKRZSA-N 2 2 288.392 -0.806 20 0 CBADLP COCC[NH+](C)CCNC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000623571595 356368259 /nfs/dbraw/zinc/36/82/59/356368259.db2.gz BQENHQAHFSEPFR-LBPRGKRZSA-N 2 2 288.392 -0.806 20 0 CBADLP COCC[NH+](C)CCNC(=O)NC[C@H]1COCC[N@H+]1C ZINC000623571595 356368262 /nfs/dbraw/zinc/36/82/62/356368262.db2.gz BQENHQAHFSEPFR-LBPRGKRZSA-N 2 2 288.392 -0.806 20 0 CBADLP NS(=O)(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000623068947 356353352 /nfs/dbraw/zinc/35/33/52/356353352.db2.gz PONHWGBHESXTEV-UHFFFAOYSA-N 2 2 298.412 -0.227 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623263323 356358286 /nfs/dbraw/zinc/35/82/86/356358286.db2.gz IXIRHINIGUBDFG-NWDGAFQWSA-N 2 2 278.356 -0.108 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1 ZINC000623264567 356358516 /nfs/dbraw/zinc/35/85/16/356358516.db2.gz OSDBAEBHMQAAFT-KOLCDFICSA-N 2 2 250.302 -0.745 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1 ZINC000623264567 356358517 /nfs/dbraw/zinc/35/85/17/356358517.db2.gz OSDBAEBHMQAAFT-KOLCDFICSA-N 2 2 250.302 -0.745 20 0 CBADLP C[NH+](C)CCCNC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000623367069 356362754 /nfs/dbraw/zinc/36/27/54/356362754.db2.gz VPUQBJGELMYTMB-NSHDSACASA-N 2 2 258.366 -0.432 20 0 CBADLP C[NH+](C)CCCNC(=O)NC[C@H]1COCC[N@H+]1C ZINC000623367069 356362757 /nfs/dbraw/zinc/36/27/57/356362757.db2.gz VPUQBJGELMYTMB-NSHDSACASA-N 2 2 258.366 -0.432 20 0 CBADLP C[NH+]1CCOC[C@@H]1CNC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000623717228 356371743 /nfs/dbraw/zinc/37/17/43/356371743.db2.gz QKQFIYCEZOVFKU-RYUDHWBXSA-N 2 2 270.377 -0.290 20 0 CBADLP C[NH+]1CCOC[C@@H]1CNC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000623717228 356371744 /nfs/dbraw/zinc/37/17/44/356371744.db2.gz QKQFIYCEZOVFKU-RYUDHWBXSA-N 2 2 270.377 -0.290 20 0 CBADLP C[NH+]1CCC[C@H](NC(=O)NC[C@H]2COCC[N@@H+]2C)C1 ZINC000623717228 356371747 /nfs/dbraw/zinc/37/17/47/356371747.db2.gz QKQFIYCEZOVFKU-RYUDHWBXSA-N 2 2 270.377 -0.290 20 0 CBADLP C[NH+]1CCC[C@H](NC(=O)NC[C@H]2COCC[N@H+]2C)C1 ZINC000623717228 356371749 /nfs/dbraw/zinc/37/17/49/356371749.db2.gz QKQFIYCEZOVFKU-RYUDHWBXSA-N 2 2 270.377 -0.290 20 0 CBADLP C[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H]1COCC[NH+]1C ZINC000623716021 356371896 /nfs/dbraw/zinc/37/18/96/356371896.db2.gz DBMCMCDOOAVZGI-RYUDHWBXSA-N 2 2 270.377 -0.290 20 0 CBADLP C[N@H+]1CCC[C@H]1CNC(=O)NC[C@H]1COCC[NH+]1C ZINC000623716021 356371901 /nfs/dbraw/zinc/37/19/01/356371901.db2.gz DBMCMCDOOAVZGI-RYUDHWBXSA-N 2 2 270.377 -0.290 20 0 CBADLP C[NH+]1CCC[C@H]1CNC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000623716021 356371904 /nfs/dbraw/zinc/37/19/04/356371904.db2.gz DBMCMCDOOAVZGI-RYUDHWBXSA-N 2 2 270.377 -0.290 20 0 CBADLP C[NH+]1CCC[C@H]1CNC(=O)NC[C@H]1COCC[N@H+]1C ZINC000623716021 356371906 /nfs/dbraw/zinc/37/19/06/356371906.db2.gz DBMCMCDOOAVZGI-RYUDHWBXSA-N 2 2 270.377 -0.290 20 0 CBADLP C[NH+]1CCOC[C@@H]1CNC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000623717226 356372393 /nfs/dbraw/zinc/37/23/93/356372393.db2.gz QKQFIYCEZOVFKU-NEPJUHHUSA-N 2 2 270.377 -0.290 20 0 CBADLP C[NH+]1CCOC[C@@H]1CNC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000623717226 356372396 /nfs/dbraw/zinc/37/23/96/356372396.db2.gz QKQFIYCEZOVFKU-NEPJUHHUSA-N 2 2 270.377 -0.290 20 0 CBADLP C[NH+]1CCC[C@@H](NC(=O)NC[C@H]2COCC[N@@H+]2C)C1 ZINC000623717226 356372401 /nfs/dbraw/zinc/37/24/01/356372401.db2.gz QKQFIYCEZOVFKU-NEPJUHHUSA-N 2 2 270.377 -0.290 20 0 CBADLP C[NH+]1CCC[C@@H](NC(=O)NC[C@H]2COCC[N@H+]2C)C1 ZINC000623717226 356372407 /nfs/dbraw/zinc/37/24/07/356372407.db2.gz QKQFIYCEZOVFKU-NEPJUHHUSA-N 2 2 270.377 -0.290 20 0 CBADLP C[C@@H](CC[NH+](C)C)NC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000623720041 356372934 /nfs/dbraw/zinc/37/29/34/356372934.db2.gz SXWZOYSFKOHEJZ-RYUDHWBXSA-N 2 2 272.393 -0.044 20 0 CBADLP C[C@@H](CC[NH+](C)C)NC(=O)NC[C@H]1COCC[N@H+]1C ZINC000623720041 356372936 /nfs/dbraw/zinc/37/29/36/356372936.db2.gz SXWZOYSFKOHEJZ-RYUDHWBXSA-N 2 2 272.393 -0.044 20 0 CBADLP NC(=O)c1ccc(C[NH2+]CC[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000623758004 356374887 /nfs/dbraw/zinc/37/48/87/356374887.db2.gz LDEDURXQWWVMPF-CYBMUJFWSA-N 2 2 263.341 -0.058 20 0 CBADLP NC(=O)c1ccc(C[NH2+]CC[N@H+]2CC[C@@H](O)C2)cc1 ZINC000623758004 356374890 /nfs/dbraw/zinc/37/48/90/356374890.db2.gz LDEDURXQWWVMPF-CYBMUJFWSA-N 2 2 263.341 -0.058 20 0 CBADLP Nc1nc(N2CC[NH+](Cc3cccnc3)CC2)nc(N)[nH+]1 ZINC000623828378 356377123 /nfs/dbraw/zinc/37/71/23/356377123.db2.gz VZHYLVIAWJSIRO-UHFFFAOYSA-N 2 2 286.343 -0.586 20 0 CBADLP Nc1nc(N)[nH+]c(N2CC[C@@H](C[NH+]3CCCC3)C2)n1 ZINC000623988001 356386525 /nfs/dbraw/zinc/38/65/25/356386525.db2.gz WTAKBFWNHAEEGW-VIFPVBQESA-N 2 2 263.349 -0.381 20 0 CBADLP Nc1nc(N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)nc(N)[nH+]1 ZINC000624039053 356391692 /nfs/dbraw/zinc/39/16/92/356391692.db2.gz YEKBBDYGHWPFNC-NXEZZACHSA-N 2 2 293.375 -0.826 20 0 CBADLP Nc1nc(N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)nc(N)[nH+]1 ZINC000624039055 356391880 /nfs/dbraw/zinc/39/18/80/356391880.db2.gz YEKBBDYGHWPFNC-VHSXEESVSA-N 2 2 293.375 -0.826 20 0 CBADLP C[C@@H](Cn1cncn1)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000624087357 356396745 /nfs/dbraw/zinc/39/67/45/356396745.db2.gz SUIPAUQZFQLPPB-RYUDHWBXSA-N 2 2 280.376 -0.404 20 0 CBADLP C[C@@H](Cn1cncn1)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000624087357 356396750 /nfs/dbraw/zinc/39/67/50/356396750.db2.gz SUIPAUQZFQLPPB-RYUDHWBXSA-N 2 2 280.376 -0.404 20 0 CBADLP C[C@H](C1CC[NH+](C)CC1)N(C)c1nc(N)nc(N)[nH+]1 ZINC000624088657 356397069 /nfs/dbraw/zinc/39/70/69/356397069.db2.gz QHAHNHCLFDVLKE-MRVPVSSYSA-N 2 2 265.365 -0.137 20 0 CBADLP CN(C)c1[nH+]cc(C[NH2+][C@H]2C[C@H](C(N)=O)C2)n1C ZINC000623662158 356370061 /nfs/dbraw/zinc/37/00/61/356370061.db2.gz PRNJUISDABHEQA-KYZUINATSA-N 2 2 251.334 -0.160 20 0 CBADLP C[C@@H](CNc1nc(N)[nH+]c(N)n1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000624373771 356414921 /nfs/dbraw/zinc/41/49/21/356414921.db2.gz ZIMQBURSLPQLEL-XHNCKOQMSA-N 2 2 281.364 -0.972 20 0 CBADLP C[C@@H](CNc1nc(N)[nH+]c(N)n1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000624373771 356414924 /nfs/dbraw/zinc/41/49/24/356414924.db2.gz ZIMQBURSLPQLEL-XHNCKOQMSA-N 2 2 281.364 -0.972 20 0 CBADLP CC[C@@H]1C[N@H+](CC)CCN1c1nc(N)[nH+]c(N)n1 ZINC000624257596 356408764 /nfs/dbraw/zinc/40/87/64/356408764.db2.gz KBUJQACCCPEXKN-MRVPVSSYSA-N 2 2 251.338 -0.383 20 0 CBADLP CC[C@@H]1C[N@@H+](CC)CCN1c1nc(N)[nH+]c(N)n1 ZINC000624257596 356408765 /nfs/dbraw/zinc/40/87/65/356408765.db2.gz KBUJQACCCPEXKN-MRVPVSSYSA-N 2 2 251.338 -0.383 20 0 CBADLP O=C1NCCN1CC[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000625545025 356473566 /nfs/dbraw/zinc/47/35/66/356473566.db2.gz LFAFHTGTNNXVNL-UHFFFAOYSA-N 2 2 282.388 -0.192 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000625898298 356496335 /nfs/dbraw/zinc/49/63/35/356496335.db2.gz MKVICEIDNUISMK-RKDXNWHRSA-N 2 2 298.309 -0.104 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000625898298 356496338 /nfs/dbraw/zinc/49/63/38/356496338.db2.gz MKVICEIDNUISMK-RKDXNWHRSA-N 2 2 298.309 -0.104 20 0 CBADLP C[NH2+]CCOCCNC(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000626868759 356552392 /nfs/dbraw/zinc/55/23/92/356552392.db2.gz FCACGFZKSFHNHD-UHFFFAOYSA-N 2 2 294.355 -0.011 20 0 CBADLP C[NH2+]CCOCCNC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000626934587 356557203 /nfs/dbraw/zinc/55/72/03/356557203.db2.gz JBTBUUDNIYPEML-LBPRGKRZSA-N 2 2 288.392 -0.758 20 0 CBADLP C[NH2+]CCOCCNC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000626940394 356557764 /nfs/dbraw/zinc/55/77/64/356557764.db2.gz YIVFKYVJHVPSDF-NSHDSACASA-N 2 2 269.349 -0.193 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NCCOCCC[NH3+] ZINC000626939835 356558112 /nfs/dbraw/zinc/55/81/12/356558112.db2.gz OAWDAPRMTITHSM-LLVKDONJSA-N 2 2 269.349 -0.064 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N(C)CCOCC[NH3+] ZINC000626969702 356561040 /nfs/dbraw/zinc/56/10/40/356561040.db2.gz CRBRIJAWPWCYKB-GFCCVEGCSA-N 2 2 288.392 -0.676 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N(C)CCOCC[NH3+] ZINC000626969702 356561044 /nfs/dbraw/zinc/56/10/44/356561044.db2.gz CRBRIJAWPWCYKB-GFCCVEGCSA-N 2 2 288.392 -0.676 20 0 CBADLP C[NH2+]CCOCCNC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000627016723 356567505 /nfs/dbraw/zinc/56/75/05/356567505.db2.gz UOMGXRAETISJLV-LLVKDONJSA-N 2 2 281.360 -0.267 20 0 CBADLP [NH3+]CCCOCCNC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000627016846 356567583 /nfs/dbraw/zinc/56/75/83/356567583.db2.gz WNJAMCYEJIWLHO-LLVKDONJSA-N 2 2 281.360 -0.138 20 0 CBADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000627160088 356591307 /nfs/dbraw/zinc/59/13/07/356591307.db2.gz XEDUZUJDIZKJAK-SDDRHHMPSA-N 3 2 269.393 -0.589 20 0 CBADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000627160088 356591308 /nfs/dbraw/zinc/59/13/08/356591308.db2.gz XEDUZUJDIZKJAK-SDDRHHMPSA-N 3 2 269.393 -0.589 20 0 CBADLP C[NH2+]CCOCCNC(=O)N1CCn2c[nH+]cc2C1 ZINC000627171947 356593450 /nfs/dbraw/zinc/59/34/50/356593450.db2.gz MXPNSTXBZZZNIG-UHFFFAOYSA-N 2 2 267.333 -0.356 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000627073135 356573855 /nfs/dbraw/zinc/57/38/55/356573855.db2.gz KUUNYQYZFFACIE-RYUDHWBXSA-N 2 2 270.377 -0.384 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000627073135 356573860 /nfs/dbraw/zinc/57/38/60/356573860.db2.gz KUUNYQYZFFACIE-RYUDHWBXSA-N 2 2 270.377 -0.384 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)N[C@H]1CCC[NH2+]C1 ZINC000627076367 356574224 /nfs/dbraw/zinc/57/42/24/356574224.db2.gz XHDYDADYINKUJL-WDEREUQCSA-N 2 2 256.350 -0.632 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)N[C@H]1CCC[NH2+]C1 ZINC000627076367 356574228 /nfs/dbraw/zinc/57/42/28/356574228.db2.gz XHDYDADYINKUJL-WDEREUQCSA-N 2 2 256.350 -0.632 20 0 CBADLP CC(C)[C@H]([NH3+])CNC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000627076744 356574979 /nfs/dbraw/zinc/57/49/79/356574979.db2.gz HNIBERRYOKLBGC-WDEREUQCSA-N 2 2 258.366 -0.401 20 0 CBADLP CC(C)[C@H]([NH3+])CNC(=O)NC[C@H]1COCC[N@H+]1C ZINC000627076744 356574981 /nfs/dbraw/zinc/57/49/81/356574981.db2.gz HNIBERRYOKLBGC-WDEREUQCSA-N 2 2 258.366 -0.401 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)N[C@H]1CCC[NH2+]CC1 ZINC000627086251 356578693 /nfs/dbraw/zinc/57/86/93/356578693.db2.gz LYHJFZIZGXOLLI-NWDGAFQWSA-N 2 2 270.377 -0.242 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)N[C@H]1CCC[NH2+]CC1 ZINC000627086251 356578697 /nfs/dbraw/zinc/57/86/97/356578697.db2.gz LYHJFZIZGXOLLI-NWDGAFQWSA-N 2 2 270.377 -0.242 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000627086253 356578848 /nfs/dbraw/zinc/57/88/48/356578848.db2.gz LYHJFZIZGXOLLI-VXGBXAGGSA-N 2 2 270.377 -0.242 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000627086253 356578852 /nfs/dbraw/zinc/57/88/52/356578852.db2.gz LYHJFZIZGXOLLI-VXGBXAGGSA-N 2 2 270.377 -0.242 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)NCC(F)(F)C[NH3+] ZINC000627084961 356579168 /nfs/dbraw/zinc/57/91/68/356579168.db2.gz QDQMSYSYYMGUEH-QMMMGPOBSA-N 2 2 266.292 -0.790 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)NCC(F)(F)C[NH3+] ZINC000627084961 356579171 /nfs/dbraw/zinc/57/91/71/356579171.db2.gz QDQMSYSYYMGUEH-QMMMGPOBSA-N 2 2 266.292 -0.790 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)NCCC1=CC[NH2+]CC1 ZINC000627088892 356580697 /nfs/dbraw/zinc/58/06/97/356580697.db2.gz FBKCXAWVROHIHE-ZDUSSCGKSA-N 2 2 282.388 -0.074 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)NCCC1=CC[NH2+]CC1 ZINC000627088892 356580699 /nfs/dbraw/zinc/58/06/99/356580699.db2.gz FBKCXAWVROHIHE-ZDUSSCGKSA-N 2 2 282.388 -0.074 20 0 CBADLP C[C@@H]1C[C@H](NC(=O)NC[C@H]2COCC[N@@H+]2C)CC[NH2+]1 ZINC000627089887 356581586 /nfs/dbraw/zinc/58/15/86/356581586.db2.gz PXDDZKGDGLTNSJ-UTUOFQBUSA-N 2 2 270.377 -0.243 20 0 CBADLP C[C@@H]1C[C@H](NC(=O)NC[C@H]2COCC[N@H+]2C)CC[NH2+]1 ZINC000627089887 356581588 /nfs/dbraw/zinc/58/15/88/356581588.db2.gz PXDDZKGDGLTNSJ-UTUOFQBUSA-N 2 2 270.377 -0.243 20 0 CBADLP C[C@@H](CCC[NH3+])NC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000627096355 356582248 /nfs/dbraw/zinc/58/22/48/356582248.db2.gz UHMKTDWFNAYTJG-QWRGUYRKSA-N 2 2 258.366 -0.256 20 0 CBADLP C[C@@H](CCC[NH3+])NC(=O)NC[C@H]1COCC[N@H+]1C ZINC000627096355 356582252 /nfs/dbraw/zinc/58/22/52/356582252.db2.gz UHMKTDWFNAYTJG-QWRGUYRKSA-N 2 2 258.366 -0.256 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000627099472 356582699 /nfs/dbraw/zinc/58/26/99/356582699.db2.gz RRNIGTUDEZEMAD-IUCAKERBSA-N 2 2 280.319 -0.401 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000627099472 356582701 /nfs/dbraw/zinc/58/27/01/356582701.db2.gz RRNIGTUDEZEMAD-IUCAKERBSA-N 2 2 280.319 -0.401 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000627182860 356595680 /nfs/dbraw/zinc/59/56/80/356595680.db2.gz LCMBEBHWWVPNPW-NSHDSACASA-N 2 2 270.377 -0.290 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000627182860 356595686 /nfs/dbraw/zinc/59/56/86/356595686.db2.gz LCMBEBHWWVPNPW-NSHDSACASA-N 2 2 270.377 -0.290 20 0 CBADLP CN(CC(C)(C)C[NH3+])C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000627183066 356595796 /nfs/dbraw/zinc/59/57/96/356595796.db2.gz GQPVLDATJVLSTF-NSHDSACASA-N 2 2 272.393 -0.057 20 0 CBADLP CN(CC(C)(C)C[NH3+])C(=O)NC[C@H]1COCC[N@H+]1C ZINC000627183066 356595799 /nfs/dbraw/zinc/59/57/99/356595799.db2.gz GQPVLDATJVLSTF-NSHDSACASA-N 2 2 272.393 -0.057 20 0 CBADLP C[NH2+]C[C@@H]1CCCN1C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000627182990 356595823 /nfs/dbraw/zinc/59/58/23/356595823.db2.gz GHWBCWUEQQFDAY-NWDGAFQWSA-N 2 2 270.377 -0.290 20 0 CBADLP C[NH2+]C[C@@H]1CCCN1C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000627182990 356595826 /nfs/dbraw/zinc/59/58/26/356595826.db2.gz GHWBCWUEQQFDAY-NWDGAFQWSA-N 2 2 270.377 -0.290 20 0 CBADLP CN(CC(C)(C)[NH3+])C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000627183267 356596542 /nfs/dbraw/zinc/59/65/42/356596542.db2.gz QPHFBSAMGRYECR-SNVBAGLBSA-N 2 2 258.366 -0.304 20 0 CBADLP CN(CC(C)(C)[NH3+])C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000627183267 356596545 /nfs/dbraw/zinc/59/65/45/356596545.db2.gz QPHFBSAMGRYECR-SNVBAGLBSA-N 2 2 258.366 -0.304 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000627183447 356596633 /nfs/dbraw/zinc/59/66/33/356596633.db2.gz KGYPTZCIXXZALJ-TZMCWYRMSA-N 2 2 282.388 -0.288 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000627183447 356596636 /nfs/dbraw/zinc/59/66/36/356596636.db2.gz KGYPTZCIXXZALJ-TZMCWYRMSA-N 2 2 282.388 -0.288 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000627182765 356596668 /nfs/dbraw/zinc/59/66/68/356596668.db2.gz KCYNOPVTGOZUEY-QJPTWQEYSA-N 2 2 270.377 -0.114 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000627182765 356596670 /nfs/dbraw/zinc/59/66/70/356596670.db2.gz KCYNOPVTGOZUEY-QJPTWQEYSA-N 2 2 270.377 -0.114 20 0 CBADLP C[C@@H]1CN(C(=O)NC[C@@H]2COCC[N@@H+]2C)CC[NH2+]1 ZINC000627183504 356596695 /nfs/dbraw/zinc/59/66/95/356596695.db2.gz LIOAGTNVCAKBDH-GHMZBOCLSA-N 2 2 256.350 -0.680 20 0 CBADLP C[C@@H]1CN(C(=O)NC[C@@H]2COCC[N@H+]2C)CC[NH2+]1 ZINC000627183504 356596697 /nfs/dbraw/zinc/59/66/97/356596697.db2.gz LIOAGTNVCAKBDH-GHMZBOCLSA-N 2 2 256.350 -0.680 20 0 CBADLP C[NH2+][C@H]1CCCN(C(=O)NC[C@@H]2COCC[N@@H+]2C)C1 ZINC000627183541 356596742 /nfs/dbraw/zinc/59/67/42/356596742.db2.gz LUQMCNKSCMLXIX-NWDGAFQWSA-N 2 2 270.377 -0.290 20 0 CBADLP C[NH2+][C@H]1CCCN(C(=O)NC[C@@H]2COCC[N@H+]2C)C1 ZINC000627183541 356596744 /nfs/dbraw/zinc/59/67/44/356596744.db2.gz LUQMCNKSCMLXIX-NWDGAFQWSA-N 2 2 270.377 -0.290 20 0 CBADLP C[NH2+]CCOCCN(C)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000627182760 356596759 /nfs/dbraw/zinc/59/67/59/356596759.db2.gz KAYNRNUYQUDFMU-GFCCVEGCSA-N 2 2 288.392 -0.806 20 0 CBADLP C[NH2+]CCOCCN(C)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000627182760 356596760 /nfs/dbraw/zinc/59/67/60/356596760.db2.gz KAYNRNUYQUDFMU-GFCCVEGCSA-N 2 2 288.392 -0.806 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000627182859 356596792 /nfs/dbraw/zinc/59/67/92/356596792.db2.gz LCMBEBHWWVPNPW-LLVKDONJSA-N 2 2 270.377 -0.290 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000627182859 356596794 /nfs/dbraw/zinc/59/67/94/356596794.db2.gz LCMBEBHWWVPNPW-LLVKDONJSA-N 2 2 270.377 -0.290 20 0 CBADLP C[NH2+]C[C@H]1CCCN(C(=O)NC[C@H]2COCC[N@@H+]2C)C1 ZINC000627184340 356597738 /nfs/dbraw/zinc/59/77/38/356597738.db2.gz VQYGKJDVEAZRCP-OLZOCXBDSA-N 2 2 284.404 -0.042 20 0 CBADLP C[NH2+]C[C@H]1CCCN(C(=O)NC[C@H]2COCC[N@H+]2C)C1 ZINC000627184340 356597740 /nfs/dbraw/zinc/59/77/40/356597740.db2.gz VQYGKJDVEAZRCP-OLZOCXBDSA-N 2 2 284.404 -0.042 20 0 CBADLP C[C@@H]1CC[C@H](NC(=O)NCC[NH+]2CCOCC2)C[NH2+]1 ZINC000627193323 356603334 /nfs/dbraw/zinc/60/33/34/356603334.db2.gz IAXLJXYIURHZMT-NEPJUHHUSA-N 2 2 270.377 -0.242 20 0 CBADLP C[C@@H]1CC[C@@H](NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])C[NH2+]1 ZINC000627208021 356605112 /nfs/dbraw/zinc/60/51/12/356605112.db2.gz VOSVOXPMYLJOAW-IJLUTSLNSA-N 3 2 269.393 -0.589 20 0 CBADLP C[C@@H]1CC[C@@H](NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])C[NH2+]1 ZINC000627208021 356605116 /nfs/dbraw/zinc/60/51/16/356605116.db2.gz VOSVOXPMYLJOAW-IJLUTSLNSA-N 3 2 269.393 -0.589 20 0 CBADLP C[C@H]1CC[C@@H](NC(=O)C(=O)NCc2[nH+]ccn2C)C[NH2+]1 ZINC000627379313 356636470 /nfs/dbraw/zinc/63/64/70/356636470.db2.gz IGVXCWALCSOULL-VHSXEESVSA-N 2 2 279.344 -0.707 20 0 CBADLP C[C@@H]1CC[C@@H](NC(=O)C(=O)NCCCn2cc[nH+]c2)C[NH2+]1 ZINC000627390297 356638170 /nfs/dbraw/zinc/63/81/70/356638170.db2.gz JBGFOAXACZCRCS-VXGBXAGGSA-N 2 2 293.371 -0.354 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000627480100 356654869 /nfs/dbraw/zinc/65/48/69/356654869.db2.gz KVIVEGAFWWZMJD-NWDGAFQWSA-N 2 2 282.388 -0.593 20 0 CBADLP C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC000425059025 283204778 /nfs/dbraw/zinc/20/47/78/283204778.db2.gz QGGQZJPNYXKYHI-XQQFMLRXSA-N 2 2 267.373 -0.130 20 0 CBADLP C[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC000425059025 283204779 /nfs/dbraw/zinc/20/47/79/283204779.db2.gz QGGQZJPNYXKYHI-XQQFMLRXSA-N 2 2 267.373 -0.130 20 0 CBADLP C[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC000425059025 283204780 /nfs/dbraw/zinc/20/47/80/283204780.db2.gz QGGQZJPNYXKYHI-XQQFMLRXSA-N 2 2 267.373 -0.130 20 0 CBADLP C[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC000425059025 283204781 /nfs/dbraw/zinc/20/47/81/283204781.db2.gz QGGQZJPNYXKYHI-XQQFMLRXSA-N 2 2 267.373 -0.130 20 0 CBADLP CC[N@@H+]1CCOC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000627653611 356668492 /nfs/dbraw/zinc/66/84/92/356668492.db2.gz UXLKJVLOUSVGPI-QNWHQSFQSA-N 2 2 267.373 -0.275 20 0 CBADLP CC[N@H+]1CCOC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000627653611 356668493 /nfs/dbraw/zinc/66/84/93/356668493.db2.gz UXLKJVLOUSVGPI-QNWHQSFQSA-N 2 2 267.373 -0.275 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](CCCF)CC2)C1 ZINC000627958968 356681706 /nfs/dbraw/zinc/68/17/06/356681706.db2.gz QAGWVFLXHKFASV-LBPRGKRZSA-N 2 2 273.352 -0.179 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N2CC[NH+](CCCF)CC2)C1 ZINC000627958968 356681708 /nfs/dbraw/zinc/68/17/08/356681708.db2.gz QAGWVFLXHKFASV-LBPRGKRZSA-N 2 2 273.352 -0.179 20 0 CBADLP C[NH+](C)CC(=O)N1CCC([NH+]2CCOCC2)CC1 ZINC000628126501 356686652 /nfs/dbraw/zinc/68/66/52/356686652.db2.gz UNWQSNYUPAJAIK-UHFFFAOYSA-N 2 2 255.362 -0.129 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628912212 356735808 /nfs/dbraw/zinc/73/58/08/356735808.db2.gz RTSNDNKDSZPXKR-LLVKDONJSA-N 2 2 252.318 -0.362 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628912212 356735810 /nfs/dbraw/zinc/73/58/10/356735810.db2.gz RTSNDNKDSZPXKR-LLVKDONJSA-N 2 2 252.318 -0.362 20 0 CBADLP C[C@@H](C(=O)NC[C@@H]1COCC[N@@H+]1C)N1CC[NH+](C)CC1 ZINC000628919085 356740732 /nfs/dbraw/zinc/74/07/32/356740732.db2.gz RVSQBUXJJIPFJG-QWHCGFSZSA-N 2 2 284.404 -0.931 20 0 CBADLP C[C@@H](C(=O)NC[C@@H]1COCC[N@H+]1C)N1CC[NH+](C)CC1 ZINC000628919085 356740734 /nfs/dbraw/zinc/74/07/34/356740734.db2.gz RVSQBUXJJIPFJG-QWHCGFSZSA-N 2 2 284.404 -0.931 20 0 CBADLP COc1cncc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)n1 ZINC000629531143 356776656 /nfs/dbraw/zinc/77/66/56/356776656.db2.gz BGAHJQJRGXGJTM-CYBMUJFWSA-N 2 2 277.372 -0.035 20 0 CBADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@@H]1COCCN1C ZINC000629532916 356777017 /nfs/dbraw/zinc/77/70/17/356777017.db2.gz YFRYNTNQVXWCFY-FRRDWIJNSA-N 2 2 257.378 -0.326 20 0 CBADLP CN(C)S(=O)(=O)CC[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000629535178 356777666 /nfs/dbraw/zinc/77/76/66/356777666.db2.gz FHAUXTRSGWXCMF-GFCCVEGCSA-N 2 2 275.418 -0.047 20 0 CBADLP CN(C)S(=O)(=O)CC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000629535178 356777670 /nfs/dbraw/zinc/77/76/70/356777670.db2.gz FHAUXTRSGWXCMF-GFCCVEGCSA-N 2 2 275.418 -0.047 20 0 CBADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CCS(=O)(=O)N(C)C ZINC000629538696 356777835 /nfs/dbraw/zinc/77/78/35/356777835.db2.gz VJMCYSVTNKNLFN-MXWKQRLJSA-N 2 2 263.407 -0.146 20 0 CBADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CCS(=O)(=O)N(C)C ZINC000629538680 356777858 /nfs/dbraw/zinc/77/78/58/356777858.db2.gz VJMCYSVTNKNLFN-GMTAPVOTSA-N 2 2 263.407 -0.146 20 0 CBADLP O[C@@H]1CC[N@H+](CCN[C@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000629544605 356778670 /nfs/dbraw/zinc/77/86/70/356778670.db2.gz JOJGZDXIFJEZNL-MGPQQGTHSA-N 2 2 269.389 -0.590 20 0 CBADLP O[C@@H]1CC[N@@H+](CCN[C@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000629544605 356778674 /nfs/dbraw/zinc/77/86/74/356778674.db2.gz JOJGZDXIFJEZNL-MGPQQGTHSA-N 2 2 269.389 -0.590 20 0 CBADLP O[C@@H]1CCN(CC[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000629544605 356778678 /nfs/dbraw/zinc/77/86/78/356778678.db2.gz JOJGZDXIFJEZNL-MGPQQGTHSA-N 2 2 269.389 -0.590 20 0 CBADLP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)[C@H]1CN(C)CCO1 ZINC000629570103 356780847 /nfs/dbraw/zinc/78/08/47/356780847.db2.gz IASHRCNDFGAHPO-BFHYXJOUSA-N 2 2 271.405 -0.248 20 0 CBADLP C[C@H](NC[C@@H](O)C[NH+]1CCCC1)[C@H]1C[N@H+](C)CCO1 ZINC000629570103 356780850 /nfs/dbraw/zinc/78/08/50/356780850.db2.gz IASHRCNDFGAHPO-BFHYXJOUSA-N 2 2 271.405 -0.248 20 0 CBADLP C[C@H](NC[C@@H](O)C[NH+]1CCCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000629570103 356780854 /nfs/dbraw/zinc/78/08/54/356780854.db2.gz IASHRCNDFGAHPO-BFHYXJOUSA-N 2 2 271.405 -0.248 20 0 CBADLP NC(=O)[C@H]1C[C@H]([NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000629524687 356776038 /nfs/dbraw/zinc/77/60/38/356776038.db2.gz TXILOTCLVQTNTP-BJDJZHNGSA-N 2 2 253.346 -0.393 20 0 CBADLP CN1CCOC[C@@H]1C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000629532617 356776418 /nfs/dbraw/zinc/77/64/18/356776418.db2.gz JXOWFBQMALLDTP-MELADBBJSA-N 2 2 269.389 -0.326 20 0 CBADLP CN1CCOC[C@@H]1C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000629532615 356776584 /nfs/dbraw/zinc/77/65/84/356776584.db2.gz JXOWFBQMALLDTP-BFHYXJOUSA-N 2 2 269.389 -0.326 20 0 CBADLP C[C@@]1(C[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)CC[NH2+]C1 ZINC000629652262 356788850 /nfs/dbraw/zinc/78/88/50/356788850.db2.gz FHNBGPWYWFNFMJ-GFCCVEGCSA-N 3 2 251.334 -0.270 20 0 CBADLP CCN(CC[NH3+])C(=O)C(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000629802153 356796077 /nfs/dbraw/zinc/79/60/77/356796077.db2.gz RRVFRUJVHOTQMV-UHFFFAOYSA-N 2 2 279.344 -0.659 20 0 CBADLP O=C(CCCn1cc[nH+]c1)NCC[N@H+]1CC[C@H](O)C1 ZINC000629913502 356805866 /nfs/dbraw/zinc/80/58/66/356805866.db2.gz ZQTKZAGDRGBCAM-LBPRGKRZSA-N 2 2 266.345 -0.154 20 0 CBADLP O=C(CCCn1cc[nH+]c1)NCC[N@@H+]1CC[C@H](O)C1 ZINC000629913502 356805871 /nfs/dbraw/zinc/80/58/71/356805871.db2.gz ZQTKZAGDRGBCAM-LBPRGKRZSA-N 2 2 266.345 -0.154 20 0 CBADLP C[C@H](C(=O)NCC[N@@H+]1CC[C@H](O)C1)[NH+]1CCSCC1 ZINC000629914752 356806643 /nfs/dbraw/zinc/80/66/43/356806643.db2.gz GCQOXTVZRQNYIZ-NEPJUHHUSA-N 2 2 287.429 -0.394 20 0 CBADLP C[C@H](C(=O)NCC[N@H+]1CC[C@H](O)C1)[NH+]1CCSCC1 ZINC000629914752 356806646 /nfs/dbraw/zinc/80/66/46/356806646.db2.gz GCQOXTVZRQNYIZ-NEPJUHHUSA-N 2 2 287.429 -0.394 20 0 CBADLP C[N@H+](CC(=O)NC[C@H]1COCC[NH+]1C)C1CCC1 ZINC000630023918 356819737 /nfs/dbraw/zinc/81/97/37/356819737.db2.gz ZPBNTHKEUCGKRZ-LBPRGKRZSA-N 2 2 255.362 -0.083 20 0 CBADLP C[N@@H+](CC(=O)NC[C@H]1COCC[NH+]1C)C1CCC1 ZINC000630023918 356819739 /nfs/dbraw/zinc/81/97/39/356819739.db2.gz ZPBNTHKEUCGKRZ-LBPRGKRZSA-N 2 2 255.362 -0.083 20 0 CBADLP C[NH+](CC(=O)NC[C@H]1COCC[N@@H+]1C)C1CCC1 ZINC000630023918 356819741 /nfs/dbraw/zinc/81/97/41/356819741.db2.gz ZPBNTHKEUCGKRZ-LBPRGKRZSA-N 2 2 255.362 -0.083 20 0 CBADLP C[NH+](CC(=O)NC[C@H]1COCC[N@H+]1C)C1CCC1 ZINC000630023918 356819743 /nfs/dbraw/zinc/81/97/43/356819743.db2.gz ZPBNTHKEUCGKRZ-LBPRGKRZSA-N 2 2 255.362 -0.083 20 0 CBADLP C[C@@H](c1nnnn1C1CC1)[N@H+](C)CCOCC[NH3+] ZINC000629581018 356782337 /nfs/dbraw/zinc/78/23/37/356782337.db2.gz KBUVOLKNJROKHF-VIFPVBQESA-N 2 2 254.338 -0.024 20 0 CBADLP C[C@@H](c1nnnn1C1CC1)[N@@H+](C)CCOCC[NH3+] ZINC000629581018 356782339 /nfs/dbraw/zinc/78/23/39/356782339.db2.gz KBUVOLKNJROKHF-VIFPVBQESA-N 2 2 254.338 -0.024 20 0 CBADLP CCS(=O)(=O)CCC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000629580361 356782381 /nfs/dbraw/zinc/78/23/81/356782381.db2.gz RLWQRGMYPDQKRA-LBPRGKRZSA-N 2 2 278.418 -0.143 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)CCOCC[NH3+])CC1 ZINC000629578539 356782603 /nfs/dbraw/zinc/78/26/03/356782603.db2.gz QJWYSIYKDDGPHL-ZDUSSCGKSA-N 3 2 286.420 -0.554 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)CCOCC[NH3+])CC1 ZINC000629578539 356782604 /nfs/dbraw/zinc/78/26/04/356782604.db2.gz QJWYSIYKDDGPHL-ZDUSSCGKSA-N 3 2 286.420 -0.554 20 0 CBADLP CNS(=O)(=O)C[C@@H]1CCC[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000629595772 356784857 /nfs/dbraw/zinc/78/48/57/356784857.db2.gz XDJSDCQVGMODFG-VXGBXAGGSA-N 2 2 291.417 -0.764 20 0 CBADLP CNS(=O)(=O)C[C@@H]1CCC[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000629595772 356784861 /nfs/dbraw/zinc/78/48/61/356784861.db2.gz XDJSDCQVGMODFG-VXGBXAGGSA-N 2 2 291.417 -0.764 20 0 CBADLP C[C@@H](C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)[C@H](C)[NH3+] ZINC000629606375 356786416 /nfs/dbraw/zinc/78/64/16/356786416.db2.gz GQDVKLFGJFBXAP-WOPDTQHZSA-N 2 2 273.377 -0.879 20 0 CBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CC(C)(C)[NH3+] ZINC000629607378 356786429 /nfs/dbraw/zinc/78/64/29/356786429.db2.gz SAOUFYDUCAHSCP-NSHDSACASA-N 2 2 273.377 -0.735 20 0 CBADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000629610026 356787404 /nfs/dbraw/zinc/78/74/04/356787404.db2.gz ZNORLHCQHOZXNL-KBPBESRZSA-N 3 2 298.431 -0.628 20 0 CBADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000629610026 356787408 /nfs/dbraw/zinc/78/74/08/356787408.db2.gz ZNORLHCQHOZXNL-KBPBESRZSA-N 3 2 298.431 -0.628 20 0 CBADLP CNS(=O)(=O)CCC[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000631230649 356878242 /nfs/dbraw/zinc/87/82/42/356878242.db2.gz XKBQJEPWMZZLKC-UHFFFAOYSA-N 2 2 272.374 -0.142 20 0 CBADLP CNS(=O)(=O)CCC[NH2+]Cc1c[nH+]c(C)n1C ZINC000631229690 356878554 /nfs/dbraw/zinc/87/85/54/356878554.db2.gz MYUWYVBJLATHIB-UHFFFAOYSA-N 2 2 260.363 -0.243 20 0 CBADLP O=C(NCCn1cc[nH+]c1)NCC[N@H+]1CC[C@H](O)C1 ZINC000630398546 356843699 /nfs/dbraw/zinc/84/36/99/356843699.db2.gz ASPUOPMPYZUSCC-NSHDSACASA-N 2 2 267.333 -0.751 20 0 CBADLP O=C(NCCn1cc[nH+]c1)NCC[N@@H+]1CC[C@H](O)C1 ZINC000630398546 356843700 /nfs/dbraw/zinc/84/37/00/356843700.db2.gz ASPUOPMPYZUSCC-NSHDSACASA-N 2 2 267.333 -0.751 20 0 CBADLP C[NH+](C)CCn1cc(C(=O)NCC[NH+]2CCOCC2)cn1 ZINC000630414501 356844917 /nfs/dbraw/zinc/84/49/17/356844917.db2.gz UCLPZKIYXCLWBF-UHFFFAOYSA-N 2 2 295.387 -0.493 20 0 CBADLP c1nc(NC[C@@H]2COCC[NH2+]2)cc(N2CCOCC2)[nH+]1 ZINC000630531524 356849432 /nfs/dbraw/zinc/84/94/32/356849432.db2.gz BCFCKUIILVEDDM-LLVKDONJSA-N 2 2 279.344 -0.287 20 0 CBADLP CC(=O)N1CCN(C(=O)C[N@@H+]2CCCCC[C@@H]([NH3+])C2)CC1 ZINC000631832119 356909695 /nfs/dbraw/zinc/90/96/95/356909695.db2.gz ZBMIBUGXWYBUHX-CQSZACIVSA-N 2 2 296.415 -0.120 20 0 CBADLP CC(=O)N1CCN(C(=O)C[N@H+]2CCCCC[C@@H]([NH3+])C2)CC1 ZINC000631832119 356909704 /nfs/dbraw/zinc/90/97/04/356909704.db2.gz ZBMIBUGXWYBUHX-CQSZACIVSA-N 2 2 296.415 -0.120 20 0 CBADLP C[C@H](C(=O)NC1CC1)[NH+]1CCC([NH2+]CCO)CC1 ZINC000631866631 356914441 /nfs/dbraw/zinc/91/44/41/356914441.db2.gz UJHBFYIMFRWIRX-SNVBAGLBSA-N 2 2 255.362 -0.300 20 0 CBADLP CCOCCNC(=O)C[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000631867523 356914725 /nfs/dbraw/zinc/91/47/25/356914725.db2.gz CPXKNXOYPLXXCX-YPMHNXCESA-N 2 2 255.362 -0.129 20 0 CBADLP CN(C)S(=O)(=O)CC[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000631867332 356914834 /nfs/dbraw/zinc/91/48/34/356914834.db2.gz QUPWHFSPOCUXJE-MNOVXSKESA-N 2 2 261.391 -0.391 20 0 CBADLP CC(=O)N1CCN(C(=O)C[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)CC1 ZINC000631869909 356914896 /nfs/dbraw/zinc/91/48/96/356914896.db2.gz YXARFHTYUDZTSL-HIFRSBDPSA-N 2 2 294.399 -0.591 20 0 CBADLP C[C@H](NC(=O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)C(=O)N(C)C ZINC000631888685 356916381 /nfs/dbraw/zinc/91/63/81/356916381.db2.gz YXTPJVBYAQXCMR-AVGNSLFASA-N 2 2 296.415 -0.347 20 0 CBADLP C[C@H](NC(=O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)C(=O)N(C)C ZINC000631888685 356916384 /nfs/dbraw/zinc/91/63/84/356916384.db2.gz YXTPJVBYAQXCMR-AVGNSLFASA-N 2 2 296.415 -0.347 20 0 CBADLP O=C(C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)N1CCOCC1 ZINC000631884568 356916472 /nfs/dbraw/zinc/91/64/72/356916472.db2.gz LHQCVRSYIGAAQS-QWHCGFSZSA-N 2 2 267.373 -0.081 20 0 CBADLP O=C(C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)N1CCOCC1 ZINC000631884568 356916474 /nfs/dbraw/zinc/91/64/74/356916474.db2.gz LHQCVRSYIGAAQS-QWHCGFSZSA-N 2 2 267.373 -0.081 20 0 CBADLP O=C(CC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)N1CC[NH2+]CC1 ZINC000631890993 356916520 /nfs/dbraw/zinc/91/65/20/356916520.db2.gz WTBALMHBDJMKMP-ZIAGYGMSSA-N 3 2 280.416 -0.118 20 0 CBADLP O=C(CC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)N1CC[NH2+]CC1 ZINC000631890993 356916521 /nfs/dbraw/zinc/91/65/21/356916521.db2.gz WTBALMHBDJMKMP-ZIAGYGMSSA-N 3 2 280.416 -0.118 20 0 CBADLP O=C(C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)N1CCNC(=O)C1 ZINC000631887947 356916614 /nfs/dbraw/zinc/91/66/14/356916614.db2.gz VLUBTJIEPKETQB-NWDGAFQWSA-N 2 2 280.372 -0.981 20 0 CBADLP O=C(C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)N1CCNC(=O)C1 ZINC000631887947 356916616 /nfs/dbraw/zinc/91/66/16/356916616.db2.gz VLUBTJIEPKETQB-NWDGAFQWSA-N 2 2 280.372 -0.981 20 0 CBADLP C[C@H](NC(=O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)C(=O)N(C)C ZINC000631888687 356916644 /nfs/dbraw/zinc/91/66/44/356916644.db2.gz YXTPJVBYAQXCMR-XQQFMLRXSA-N 2 2 296.415 -0.347 20 0 CBADLP C[C@H](NC(=O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)C(=O)N(C)C ZINC000631888687 356916645 /nfs/dbraw/zinc/91/66/45/356916645.db2.gz YXTPJVBYAQXCMR-XQQFMLRXSA-N 2 2 296.415 -0.347 20 0 CBADLP CC[NH+]1CCN(S(=O)(=O)CCC[NH+](C)C)CC1 ZINC000631638535 356898867 /nfs/dbraw/zinc/89/88/67/356898867.db2.gz ZPVPQJBIOFDUDF-UHFFFAOYSA-N 2 2 263.407 -0.095 20 0 CBADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000632486043 356994535 /nfs/dbraw/zinc/99/45/35/356994535.db2.gz VCAXJLKAHNFOPJ-LLVKDONJSA-N 2 2 293.371 -0.079 20 0 CBADLP C[C@@H](CC[NH+](C)C)NS(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000632031511 356945676 /nfs/dbraw/zinc/94/56/76/356945676.db2.gz KYOJCHQLPXKOIA-NWDGAFQWSA-N 2 2 293.433 -0.423 20 0 CBADLP C[C@@H](CC[NH+](C)C)NS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000632031511 356945680 /nfs/dbraw/zinc/94/56/80/356945680.db2.gz KYOJCHQLPXKOIA-NWDGAFQWSA-N 2 2 293.433 -0.423 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000632862774 357029191 /nfs/dbraw/zinc/02/91/91/357029191.db2.gz WIBWVGLJZBBFGR-NEPJUHHUSA-N 2 2 280.372 -0.981 20 0 CBADLP Cn1cc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cn1 ZINC000632957428 357033476 /nfs/dbraw/zinc/03/34/76/357033476.db2.gz HZPHZVPQRGXHMF-SNVBAGLBSA-N 2 2 252.322 -0.473 20 0 CBADLP Cn1cc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cn1 ZINC000632957428 357033479 /nfs/dbraw/zinc/03/34/79/357033479.db2.gz HZPHZVPQRGXHMF-SNVBAGLBSA-N 2 2 252.322 -0.473 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2CCCCC[C@H]([NH3+])C2)CC1 ZINC000633087670 357042565 /nfs/dbraw/zinc/04/25/65/357042565.db2.gz FGFSAHRYESQYOV-ZDUSSCGKSA-N 2 2 296.415 -0.120 20 0 CBADLP Cc1cn2c([nH+]1)CN(C(=O)C(=O)N1C[C@@H]3C[C@H]1C[NH2+]3)CC2 ZINC000633100454 357045504 /nfs/dbraw/zinc/04/55/04/357045504.db2.gz VMQOYLJSFSCKNO-QWRGUYRKSA-N 2 2 289.339 -0.894 20 0 CBADLP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000633109893 357048205 /nfs/dbraw/zinc/04/82/05/357048205.db2.gz RPZJLZVCHGYANT-LLVKDONJSA-N 2 2 293.371 -0.176 20 0 CBADLP C[C@@H]1CN(C(=O)C(=O)N(C)Cc2[nH]cc[nH+]2)C[C@@]1(C)C[NH3+] ZINC000633124113 357050788 /nfs/dbraw/zinc/05/07/88/357050788.db2.gz OJOZWYMZKVLEDZ-QMTHXVAHSA-N 2 2 293.371 -0.189 20 0 CBADLP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CCn2c[nH+]cc2C1 ZINC000633149919 357052576 /nfs/dbraw/zinc/05/25/76/357052576.db2.gz XNGOPWSEJUSKBW-NXEZZACHSA-N 2 2 277.328 -0.827 20 0 CBADLP CN(CC1C[NH+](C)C1)S(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000632554597 357001887 /nfs/dbraw/zinc/00/18/87/357001887.db2.gz CAXLOCNDBNDTCZ-LBPRGKRZSA-N 2 2 291.417 -0.860 20 0 CBADLP CN(CC1C[NH+](C)C1)S(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000632554597 357001891 /nfs/dbraw/zinc/00/18/91/357001891.db2.gz CAXLOCNDBNDTCZ-LBPRGKRZSA-N 2 2 291.417 -0.860 20 0 CBADLP C[NH+](C)CCn1cc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)cn1 ZINC000633304784 357059527 /nfs/dbraw/zinc/05/95/27/357059527.db2.gz UKJIZKSSPJEGFM-GFCCVEGCSA-N 2 2 288.355 -0.004 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1CCCNC1=O ZINC000633617863 357076296 /nfs/dbraw/zinc/07/62/96/357076296.db2.gz NKBOSJYZGYIARH-LBPRGKRZSA-N 2 2 284.404 -0.488 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1CCCNC1=O ZINC000633617863 357076299 /nfs/dbraw/zinc/07/62/99/357076299.db2.gz NKBOSJYZGYIARH-LBPRGKRZSA-N 2 2 284.404 -0.488 20 0 CBADLP CN1CCN(c2cc(N3CCC[NH2+]CC3)nc[nH+]2)CC1=O ZINC000634807646 357137790 /nfs/dbraw/zinc/13/77/90/357137790.db2.gz WAUNDBHKKCAKHK-UHFFFAOYSA-N 2 2 290.371 -0.445 20 0 CBADLP CC(C)[C@H](C[NH3+])C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000634991133 357141744 /nfs/dbraw/zinc/14/17/44/357141744.db2.gz RAHFUUDBOHHCPU-GFCCVEGCSA-N 3 2 256.394 -0.419 20 0 CBADLP CC(C)[C@H](C[NH3+])C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000634991133 357141746 /nfs/dbraw/zinc/14/17/46/357141746.db2.gz RAHFUUDBOHHCPU-GFCCVEGCSA-N 3 2 256.394 -0.419 20 0 CBADLP CS(=O)(=O)N1CC[C@H]([NH2+]CC23CC(C2)C[NH2+]3)C1 ZINC000634996795 357142462 /nfs/dbraw/zinc/14/24/62/357142462.db2.gz VNPXINDQFHKPHP-YVNMAJEFSA-N 2 2 259.375 -0.638 20 0 CBADLP CS(=O)(=O)N1CCC[C@@H]1C[NH2+]CC12CC(C1)C[NH2+]2 ZINC000634995596 357142624 /nfs/dbraw/zinc/14/26/24/357142624.db2.gz JZEOLPGXONBSHG-MOENNCHZSA-N 2 2 273.402 -0.248 20 0 CBADLP C[C@H](C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1)[NH+](C)C ZINC000635532383 357173099 /nfs/dbraw/zinc/17/30/99/357173099.db2.gz KJINYJBOKRPXEB-FRRDWIJNSA-N 2 2 269.389 -0.006 20 0 CBADLP C[NH+](C)CC(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000634511226 357120689 /nfs/dbraw/zinc/12/06/89/357120689.db2.gz FSJAMCUGYFOPIM-UHFFFAOYSA-N 2 2 277.372 -0.275 20 0 CBADLP C[C@H](C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)[NH+](C)C ZINC000635702320 357195080 /nfs/dbraw/zinc/19/50/80/357195080.db2.gz ZBYIAJWCUDGTMU-VXGBXAGGSA-N 2 2 255.362 -0.130 20 0 CBADLP C[N@@H+]1CC[C@H](CC(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)C1 ZINC000635625022 357184454 /nfs/dbraw/zinc/18/44/54/357184454.db2.gz BSYAOFXVZDPQEU-GFCCVEGCSA-N 2 2 296.415 -0.264 20 0 CBADLP C[N@H+]1CC[C@H](CC(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)C1 ZINC000635625022 357184457 /nfs/dbraw/zinc/18/44/57/357184457.db2.gz BSYAOFXVZDPQEU-GFCCVEGCSA-N 2 2 296.415 -0.264 20 0 CBADLP C[NH+](C)CC1(C(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)CC1 ZINC000635626684 357184554 /nfs/dbraw/zinc/18/45/54/357184554.db2.gz RIMGFDCIZXIAKT-UHFFFAOYSA-N 2 2 296.415 -0.264 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636558552 357289079 /nfs/dbraw/zinc/28/90/79/357289079.db2.gz WHYOMIFOMUHZDS-NEPJUHHUSA-N 2 2 293.371 -0.172 20 0 CBADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000636619063 357292932 /nfs/dbraw/zinc/29/29/32/357292932.db2.gz UHPDLHHGHQMDLV-JTQLQIEISA-N 2 2 291.355 -0.279 20 0 CBADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000636619063 357292935 /nfs/dbraw/zinc/29/29/35/357292935.db2.gz UHPDLHHGHQMDLV-JTQLQIEISA-N 2 2 291.355 -0.279 20 0 CBADLP COCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1 ZINC000636820675 357304766 /nfs/dbraw/zinc/30/47/66/357304766.db2.gz YINHGXORACYSRS-NWDGAFQWSA-N 2 2 293.371 -0.172 20 0 CBADLP COCC[N@H+]1CC[C@H](NC(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1 ZINC000636820675 357304772 /nfs/dbraw/zinc/30/47/72/357304772.db2.gz YINHGXORACYSRS-NWDGAFQWSA-N 2 2 293.371 -0.172 20 0 CBADLP C[C@H](C(=O)N1C[C@@H](C)[N@H+](CCO)C[C@H]1C)[NH+](C)C ZINC000636035983 357255527 /nfs/dbraw/zinc/25/55/27/357255527.db2.gz WLMLKSDHZMAMKA-IJLUTSLNSA-N 2 2 257.378 -0.150 20 0 CBADLP C[C@H](C(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C)[NH+](C)C ZINC000636035983 357255529 /nfs/dbraw/zinc/25/55/29/357255529.db2.gz WLMLKSDHZMAMKA-IJLUTSLNSA-N 2 2 257.378 -0.150 20 0 CBADLP C[C@H](C(=O)NC1CC([NH+]2CCOCC2)C1)[NH+](C)C ZINC000636076145 357261104 /nfs/dbraw/zinc/26/11/04/357261104.db2.gz RCRNPSHYQYODRI-VOMCLLRMSA-N 2 2 255.362 -0.084 20 0 CBADLP C[N@@H+]1CCCC[C@H]1C(=O)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000636124908 357265239 /nfs/dbraw/zinc/26/52/39/357265239.db2.gz FVCJJXVIPYSRFJ-OLZOCXBDSA-N 2 2 267.373 -0.252 20 0 CBADLP C[N@H+]1CCCC[C@H]1C(=O)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000636124908 357265242 /nfs/dbraw/zinc/26/52/42/357265242.db2.gz FVCJJXVIPYSRFJ-OLZOCXBDSA-N 2 2 267.373 -0.252 20 0 CBADLP C[NH+]1CCCC[C@H]1C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000636124908 357265243 /nfs/dbraw/zinc/26/52/43/357265243.db2.gz FVCJJXVIPYSRFJ-OLZOCXBDSA-N 2 2 267.373 -0.252 20 0 CBADLP C[NH+]1CCCC[C@H]1C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000636124908 357265247 /nfs/dbraw/zinc/26/52/47/357265247.db2.gz FVCJJXVIPYSRFJ-OLZOCXBDSA-N 2 2 267.373 -0.252 20 0 CBADLP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)C[NH+]1CC(C)(C)C1 ZINC000636316546 357280406 /nfs/dbraw/zinc/28/04/06/357280406.db2.gz YVOVFHQHYXTJGZ-UHFFFAOYSA-N 2 2 296.415 -0.439 20 0 CBADLP C[C@H](C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1)N1CC[NH2+]CC1=O ZINC000637819379 357371051 /nfs/dbraw/zinc/37/10/51/357371051.db2.gz IOGLBRSLMGIPHQ-QJPTWQEYSA-N 2 2 282.388 -0.689 20 0 CBADLP CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000637862673 357378601 /nfs/dbraw/zinc/37/86/01/357378601.db2.gz SGVQJSCHMXQNRL-RYUDHWBXSA-N 2 2 284.404 -0.362 20 0 CBADLP CCOC1CC(C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])C1 ZINC000637863423 357378119 /nfs/dbraw/zinc/37/81/19/357378119.db2.gz BSGBBHDSVAPDQW-MOENNCHZSA-N 2 2 255.362 -0.097 20 0 CBADLP C[C@H](C(=O)NC[C@@H]([NH3+])c1ccccc1)N1CC[NH2+]CC1=O ZINC000637832497 357372605 /nfs/dbraw/zinc/37/26/05/357372605.db2.gz KJTFLIAHHGLULC-DGCLKSJQSA-N 2 2 290.367 -0.377 20 0 CBADLP CCOC1CC(C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])C1 ZINC000637863423 357378120 /nfs/dbraw/zinc/37/81/20/357378120.db2.gz BSGBBHDSVAPDQW-MOENNCHZSA-N 2 2 255.362 -0.097 20 0 CBADLP CCc1c[nH]c(CC(=O)N(C)CCN2CC[NH2+]CC2)[nH+]1 ZINC000637834400 357373654 /nfs/dbraw/zinc/37/36/54/357373654.db2.gz DRDQUGPZTYBALP-UHFFFAOYSA-N 2 2 279.388 -0.122 20 0 CBADLP C[C@H](C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1)N1CC[NH2+]CC1=O ZINC000637842129 357374566 /nfs/dbraw/zinc/37/45/66/357374566.db2.gz XIMVUNSBZOWHBG-OUAUKWLOSA-N 2 2 268.361 -0.985 20 0 CBADLP O=C(NCC[N@H+]1CC[C@@H](O)C1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000637157302 357326698 /nfs/dbraw/zinc/32/66/98/357326698.db2.gz SNPIRDBTCNZAHV-WDEREUQCSA-N 2 2 293.371 -0.367 20 0 CBADLP O=C(NCC[N@@H+]1CC[C@@H](O)C1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000637157302 357326699 /nfs/dbraw/zinc/32/66/99/357326699.db2.gz SNPIRDBTCNZAHV-WDEREUQCSA-N 2 2 293.371 -0.367 20 0 CBADLP C[C@@H]1C[C@H](C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])[C@H](C)O1 ZINC000637863640 357378333 /nfs/dbraw/zinc/37/83/33/357378333.db2.gz FERIKSXOBFSDIC-RHYQMDGZSA-N 2 2 255.362 -0.099 20 0 CBADLP C[C@@H]1C[C@H](C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])[C@H](C)O1 ZINC000637863640 357378335 /nfs/dbraw/zinc/37/83/35/357378335.db2.gz FERIKSXOBFSDIC-RHYQMDGZSA-N 2 2 255.362 -0.099 20 0 CBADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CCN(C)C[C@H]1C[NH3+])CC2 ZINC000637864087 357378345 /nfs/dbraw/zinc/37/83/45/357378345.db2.gz LSNOCTCDHLUNCJ-CHWSQXEVSA-N 2 2 291.399 -0.145 20 0 CBADLP CC(C)C[C@H](C[NH3+])NC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000637843306 357376042 /nfs/dbraw/zinc/37/60/42/357376042.db2.gz CNUGOGYEMJJFGY-GHMZBOCLSA-N 2 2 270.377 -0.704 20 0 CBADLP CC(C)C[C@@H](C[NH3+])NC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000637843307 357376156 /nfs/dbraw/zinc/37/61/56/357376156.db2.gz CNUGOGYEMJJFGY-MNOVXSKESA-N 2 2 270.377 -0.704 20 0 CBADLP C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@H](C)N2CC[NH2+]CC2=O)C1 ZINC000637848203 357376238 /nfs/dbraw/zinc/37/62/38/357376238.db2.gz NGPUOMXNGYNZTL-SRVKXCTJSA-N 2 2 282.388 -0.608 20 0 CBADLP CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000637862671 357378401 /nfs/dbraw/zinc/37/84/01/357378401.db2.gz SGVQJSCHMXQNRL-NEPJUHHUSA-N 2 2 284.404 -0.362 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)NCC[NH+]1CCC1 ZINC000637445644 357351301 /nfs/dbraw/zinc/35/13/01/357351301.db2.gz YQHJVVUMBBYBAR-NSHDSACASA-N 2 2 256.350 -0.678 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)NCC[NH+]1CCC1 ZINC000637445644 357351305 /nfs/dbraw/zinc/35/13/05/357351305.db2.gz YQHJVVUMBBYBAR-NSHDSACASA-N 2 2 256.350 -0.678 20 0 CBADLP C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C[NH3+])N1CC[NH2+]CC1=O ZINC000637853791 357377252 /nfs/dbraw/zinc/37/72/52/357377252.db2.gz YPVOXZGCDZTKGP-GRYCIOLGSA-N 2 2 282.388 -0.560 20 0 CBADLP C[NH2+]C[C@@H]1CCCN(C(=O)[C@H](C)N2CC[NH2+]CC2=O)C1 ZINC000637797500 357364156 /nfs/dbraw/zinc/36/41/56/357364156.db2.gz AOIPKUAAWVCNCI-RYUDHWBXSA-N 2 2 282.388 -0.735 20 0 CBADLP C[C@H](C(=O)Nc1cccc(C[NH3+])c1)N1CC[NH2+]CC1=O ZINC000637802800 357366620 /nfs/dbraw/zinc/36/66/20/357366620.db2.gz ZUSUBAILOAQAEM-SNVBAGLBSA-N 2 2 276.340 -0.096 20 0 CBADLP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000637808068 357368067 /nfs/dbraw/zinc/36/80/67/357368067.db2.gz UPRWDMKGWKWBCN-SRVKXCTJSA-N 2 2 282.388 -0.465 20 0 CBADLP C[NH+](C)[C@@H]1CCCN(Cc2c[nH+]c(N)nc2N)C1 ZINC000638015779 357400776 /nfs/dbraw/zinc/40/07/76/357400776.db2.gz UAHXZRWMUHAENS-SNVBAGLBSA-N 2 2 250.350 -0.172 20 0 CBADLP C[C@H](C(=O)NCC(C)(C)C[NH+](C)C)N1CC[NH2+]CC1=O ZINC000638047680 357404899 /nfs/dbraw/zinc/40/48/99/357404899.db2.gz JLKMITHRIAPEIL-LLVKDONJSA-N 2 2 284.404 -0.489 20 0 CBADLP [NH3+]C[C@]1(C(=O)NCC[NH+]2CCOCC2)CCCOC1 ZINC000638049034 357405322 /nfs/dbraw/zinc/40/53/22/357405322.db2.gz SAGWJEUFVIRXML-CYBMUJFWSA-N 2 2 271.361 -0.810 20 0 CBADLP C[C@@H](C(=O)NCC1([NH+](C)C)CCCC1)N1CC[NH2+]CC1=O ZINC000638050098 357406548 /nfs/dbraw/zinc/40/65/48/357406548.db2.gz SFKPHGWWSRLABM-LBPRGKRZSA-N 2 2 296.415 -0.203 20 0 CBADLP O=C(CN1CC[NH2+]CC1)NCCc1cn2ccccc2[nH+]1 ZINC000638060931 357407739 /nfs/dbraw/zinc/40/77/39/357407739.db2.gz VHIBPWFOJYDJSA-UHFFFAOYSA-N 2 2 287.367 -0.102 20 0 CBADLP CCOCC[NH+]1CCN(C(=O)[C@@]2(C)C[C@H](OC)C[NH2+]2)CC1 ZINC000638058005 357407833 /nfs/dbraw/zinc/40/78/33/357407833.db2.gz FVEIUSAPMJDJEP-DZGCQCFKSA-N 2 2 299.415 -0.066 20 0 CBADLP CC(C)[C@H](CNC(=O)[C@]1(C)C[NH2+]CCO1)[NH+]1CCOCC1 ZINC000638060989 357407912 /nfs/dbraw/zinc/40/79/12/357407912.db2.gz WNQQAYZWUCVQLH-ZFWWWQNUSA-N 2 2 299.415 -0.162 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)C2=CC[C@@H]([NH3+])C2)CC1 ZINC000638068157 357408413 /nfs/dbraw/zinc/40/84/13/357408413.db2.gz BFJCFRAWENFNDK-CYBMUJFWSA-N 2 2 280.372 -0.686 20 0 CBADLP C[C@H](C(=O)N1CC[NH+](C2CC2)CC1)N1CC[NH2+]CC1=O ZINC000638063131 357408931 /nfs/dbraw/zinc/40/89/31/357408931.db2.gz RQNDXUFLHKDOBZ-LLVKDONJSA-N 2 2 280.372 -0.887 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638070204 357409462 /nfs/dbraw/zinc/40/94/62/357409462.db2.gz PCJJSMVPHPBHFO-JSGCOSHPSA-N 2 2 285.388 -0.421 20 0 CBADLP C[C@@H](C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)N1CC[NH2+]CC1=O ZINC000638071013 357410090 /nfs/dbraw/zinc/41/00/90/357410090.db2.gz DIAVUUBRZPWACG-QWHCGFSZSA-N 2 2 296.415 -0.393 20 0 CBADLP C[C@@H](C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)N1CC[NH2+]CC1=O ZINC000638071013 357410091 /nfs/dbraw/zinc/41/00/91/357410091.db2.gz DIAVUUBRZPWACG-QWHCGFSZSA-N 2 2 296.415 -0.393 20 0 CBADLP C[C@@H](C(=O)NCC[N@@H+]1CCC[C@H](C)C1)N1CC[NH2+]CC1=O ZINC000638070219 357410155 /nfs/dbraw/zinc/41/01/55/357410155.db2.gz PFKORGRHKPMHTI-STQMWFEESA-N 2 2 296.415 -0.345 20 0 CBADLP C[C@@H](C(=O)NCC[N@H+]1CCC[C@H](C)C1)N1CC[NH2+]CC1=O ZINC000638070219 357410156 /nfs/dbraw/zinc/41/01/56/357410156.db2.gz PFKORGRHKPMHTI-STQMWFEESA-N 2 2 296.415 -0.345 20 0 CBADLP C[C@H](C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)N1CC[NH2+]CC1=O ZINC000638072290 357411116 /nfs/dbraw/zinc/41/11/16/357411116.db2.gz MDQMVSOXUPKHOL-VXGBXAGGSA-N 2 2 294.399 -0.593 20 0 CBADLP C[C@H](C(=O)NC[C@H]1CC[N@H+](C2CC2)C1)N1CC[NH2+]CC1=O ZINC000638072290 357411120 /nfs/dbraw/zinc/41/11/20/357411120.db2.gz MDQMVSOXUPKHOL-VXGBXAGGSA-N 2 2 294.399 -0.593 20 0 CBADLP C[C@H](C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12)N1CC[NH2+]CC1=O ZINC000638073368 357411267 /nfs/dbraw/zinc/41/12/67/357411267.db2.gz CULBOGCTQYNHGQ-FRRDWIJNSA-N 2 2 294.399 -0.450 20 0 CBADLP C[C@H](C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12)N1CC[NH2+]CC1=O ZINC000638073368 357411268 /nfs/dbraw/zinc/41/12/68/357411268.db2.gz CULBOGCTQYNHGQ-FRRDWIJNSA-N 2 2 294.399 -0.450 20 0 CBADLP CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638077064 357411810 /nfs/dbraw/zinc/41/18/10/357411810.db2.gz PNYQHAHBEGHDSR-VXGBXAGGSA-N 2 2 284.404 -0.347 20 0 CBADLP C[C@H](C(=O)NC[C@H]1CCC[N@H+](C)C1)N1CC[NH2+]CC1=O ZINC000638085852 357413382 /nfs/dbraw/zinc/41/33/82/357413382.db2.gz NOBNGSUWMMCCIP-VXGBXAGGSA-N 2 2 282.388 -0.735 20 0 CBADLP C[C@H](C(=O)NC[C@H]1CCC[N@@H+](C)C1)N1CC[NH2+]CC1=O ZINC000638085852 357413386 /nfs/dbraw/zinc/41/33/86/357413386.db2.gz NOBNGSUWMMCCIP-VXGBXAGGSA-N 2 2 282.388 -0.735 20 0 CBADLP C[C@H](CC[NH+](C)C)NC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638085887 357413732 /nfs/dbraw/zinc/41/37/32/357413732.db2.gz UYQOJCFWOLWCNM-MNOVXSKESA-N 2 2 270.377 -0.737 20 0 CBADLP CCCC[N@H+](C)CCNC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638089678 357413740 /nfs/dbraw/zinc/41/37/40/357413740.db2.gz CRIQNAZBXQOQGB-LBPRGKRZSA-N 2 2 284.404 -0.345 20 0 CBADLP CCCC[N@@H+](C)CCNC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638089678 357413741 /nfs/dbraw/zinc/41/37/41/357413741.db2.gz CRIQNAZBXQOQGB-LBPRGKRZSA-N 2 2 284.404 -0.345 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@]2(C[NH3+])CCCOC2)CCO1 ZINC000638091019 357414416 /nfs/dbraw/zinc/41/44/16/357414416.db2.gz NXMOWGBSZNBGIZ-OCCSQVGLSA-N 2 2 285.388 -0.421 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@]2(C[NH3+])CCCOC2)CCO1 ZINC000638091019 357414420 /nfs/dbraw/zinc/41/44/20/357414420.db2.gz NXMOWGBSZNBGIZ-OCCSQVGLSA-N 2 2 285.388 -0.421 20 0 CBADLP CC1(C)C[N@H+](CCNC(=O)[C@]2(C[NH3+])CCCOC2)CCO1 ZINC000638090665 357414985 /nfs/dbraw/zinc/41/49/85/357414985.db2.gz JOISEDRDKFZLAL-HNNXBMFYSA-N 2 2 299.415 -0.031 20 0 CBADLP CC1(C)C[N@@H+](CCNC(=O)[C@]2(C[NH3+])CCCOC2)CCO1 ZINC000638090665 357414989 /nfs/dbraw/zinc/41/49/89/357414989.db2.gz JOISEDRDKFZLAL-HNNXBMFYSA-N 2 2 299.415 -0.031 20 0 CBADLP C[C@H](C(=O)N1CC[C@@H]([NH+]2CCCC2)C1)N1CC[NH2+]CC1=O ZINC000638093542 357415498 /nfs/dbraw/zinc/41/54/98/357415498.db2.gz FFDBINFRRDGSTL-CHWSQXEVSA-N 2 2 294.399 -0.497 20 0 CBADLP C[C@@H](NC(=O)[C@@H](C)N1CC[NH2+]CC1=O)C1CC[NH+](C)CC1 ZINC000638092546 357415555 /nfs/dbraw/zinc/41/55/55/357415555.db2.gz YEGSGIURUZAAFB-VXGBXAGGSA-N 2 2 296.415 -0.347 20 0 CBADLP C[C@H](NC(=O)[C@@H]1OCC[C@@H]1[NH3+])[C@H](C)[NH+]1CCOCC1 ZINC000638098264 357415631 /nfs/dbraw/zinc/41/56/31/357415631.db2.gz ACTMIOWLBGMSHH-FIQHERPVSA-N 2 2 271.361 -0.672 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638097441 357415716 /nfs/dbraw/zinc/41/57/16/357415716.db2.gz FBDMBESSERNNSV-CMPLNLGQSA-N 2 2 253.346 -0.129 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638097441 357415722 /nfs/dbraw/zinc/41/57/22/357415722.db2.gz FBDMBESSERNNSV-CMPLNLGQSA-N 2 2 253.346 -0.129 20 0 CBADLP C[C@@H](NC(=O)[C@@H]1OCC[C@@H]1[NH3+])[C@@H](C)[NH+]1CCOCC1 ZINC000638098267 357415866 /nfs/dbraw/zinc/41/58/66/357415866.db2.gz ACTMIOWLBGMSHH-WISYIIOYSA-N 2 2 271.361 -0.672 20 0 CBADLP C[C@H]([C@H](C)NC(=O)[C@]1(C)C[NH2+]CCO1)[NH+]1CCOCC1 ZINC000638098285 357416150 /nfs/dbraw/zinc/41/61/50/357416150.db2.gz AKVHTSNEVBQUMH-SCRDCRAPSA-N 2 2 285.388 -0.410 20 0 CBADLP C[C@H](NC(=O)[C@H](C)N1CC[NH2+]CC1=O)C1CC[NH+](C)CC1 ZINC000638092544 357416175 /nfs/dbraw/zinc/41/61/75/357416175.db2.gz YEGSGIURUZAAFB-RYUDHWBXSA-N 2 2 296.415 -0.347 20 0 CBADLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638098384 357416212 /nfs/dbraw/zinc/41/62/12/357416212.db2.gz MEBZOWOQSAAWPE-OAHLLOKOSA-N 2 2 299.415 -0.031 20 0 CBADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638098384 357416213 /nfs/dbraw/zinc/41/62/13/357416213.db2.gz MEBZOWOQSAAWPE-OAHLLOKOSA-N 2 2 299.415 -0.031 20 0 CBADLP C[C@H](C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1)N1CC[NH2+]CC1=O ZINC000638100238 357417117 /nfs/dbraw/zinc/41/71/17/357417117.db2.gz LLESUGDMUXBBPQ-YPMHNXCESA-N 2 2 294.399 -0.498 20 0 CBADLP C[C@H](C(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1)N1CC[NH2+]CC1=O ZINC000638100238 357417119 /nfs/dbraw/zinc/41/71/19/357417119.db2.gz LLESUGDMUXBBPQ-YPMHNXCESA-N 2 2 294.399 -0.498 20 0 CBADLP CO[C@H]1C[NH2+][C@](C)(C(=O)NCc2[nH+]ccn2C)C1 ZINC000638104389 357418138 /nfs/dbraw/zinc/41/81/38/357418138.db2.gz ZCMWRVJNCHYOCX-SKDRFNHKSA-N 2 2 252.318 -0.197 20 0 CBADLP CC[C@H](C[NH+]1CCCC1)NC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638118010 357420333 /nfs/dbraw/zinc/42/03/33/357420333.db2.gz ZPRSOENVJDLGOF-CHWSQXEVSA-N 2 2 296.415 -0.203 20 0 CBADLP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCCc2[nH]cc[nH+]2)C1 ZINC000638111018 357420739 /nfs/dbraw/zinc/42/07/39/357420739.db2.gz BDWGCGFZJBETAV-CABZTGNLSA-N 2 2 252.318 -0.165 20 0 CBADLP C[NH+](C)C1CC[NH+](CCNC(=O)CN2CC[NH2+]CC2)CC1 ZINC000638127612 357422655 /nfs/dbraw/zinc/42/26/55/357422655.db2.gz DYAVGTDJQYUEKN-UHFFFAOYSA-N 3 2 297.447 -0.966 20 0 CBADLP CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](C)N2CC[NH2+]CC2=O)C1 ZINC000638127455 357423188 /nfs/dbraw/zinc/42/31/88/357423188.db2.gz JITPPDLDQUCIRT-QWHCGFSZSA-N 2 2 296.415 -0.393 20 0 CBADLP CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](C)N2CC[NH2+]CC2=O)C1 ZINC000638127455 357423193 /nfs/dbraw/zinc/42/31/93/357423193.db2.gz JITPPDLDQUCIRT-QWHCGFSZSA-N 2 2 296.415 -0.393 20 0 CBADLP C[C@@H](C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C)N1CC[NH2+]CC1=O ZINC000638158334 357428418 /nfs/dbraw/zinc/42/84/18/357428418.db2.gz PIKJZNMWIAQGGL-MXWKQRLJSA-N 2 2 268.361 -0.985 20 0 CBADLP C[C@H](C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)N1CC[NH2+]CC1=O ZINC000638165033 357429424 /nfs/dbraw/zinc/42/94/24/357429424.db2.gz OAROKYQXNCWMLM-VOAKCMCISA-N 2 2 294.399 -0.608 20 0 CBADLP C[C@@H](C(=O)N1CC[C@]2(CC[NH2+]C2)C1)N1CC[NH2+]CC1=O ZINC000638168681 357430150 /nfs/dbraw/zinc/43/01/50/357430150.db2.gz OBPSYEBGOOTQOK-FZMZJTMJSA-N 2 2 280.372 -0.981 20 0 CBADLP C[C@@H](C(=O)N1CC[C@](C)(C[NH3+])C1)N1CC[NH2+]CC1=O ZINC000638218551 357435969 /nfs/dbraw/zinc/43/59/69/357435969.db2.gz DAQPONXUEJGNHC-GXFFZTMASA-N 2 2 268.361 -0.996 20 0 CBADLP C[C@H](C(=O)N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C)N1CC[NH2+]CC1=O ZINC000638231133 357440099 /nfs/dbraw/zinc/44/00/99/357440099.db2.gz NMXHOVHQAXUSNZ-PRULPYPASA-N 2 2 282.388 -0.691 20 0 CBADLP Nc1nc(N)c(CN2CC[NH+](C[C@@H]3CCCO3)CC2)c[nH+]1 ZINC000637864465 357379132 /nfs/dbraw/zinc/37/91/32/357379132.db2.gz MSLRFUVHHBDIQZ-LBPRGKRZSA-N 2 2 292.387 -0.402 20 0 CBADLP CN1CCCC[C@@H](C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])C1=O ZINC000637867004 357379583 /nfs/dbraw/zinc/37/95/83/357379583.db2.gz RGURNILKALWYBS-VXGBXAGGSA-N 2 2 282.388 -0.654 20 0 CBADLP CN1CCCC[C@@H](C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])C1=O ZINC000637867004 357379584 /nfs/dbraw/zinc/37/95/84/357379584.db2.gz RGURNILKALWYBS-VXGBXAGGSA-N 2 2 282.388 -0.654 20 0 CBADLP C[C@@H](CNCc1c[nH+]c(N)nc1N)[N@H+](C)C1CC1 ZINC000638575441 357496104 /nfs/dbraw/zinc/49/61/04/357496104.db2.gz ODLNIWQTGHHRLK-QMMMGPOBSA-N 2 2 250.350 -0.126 20 0 CBADLP C[C@@H](CNCc1c[nH+]c(N)nc1N)[N@@H+](C)C1CC1 ZINC000638575441 357496107 /nfs/dbraw/zinc/49/61/07/357496107.db2.gz ODLNIWQTGHHRLK-QMMMGPOBSA-N 2 2 250.350 -0.126 20 0 CBADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638576088 357496640 /nfs/dbraw/zinc/49/66/40/357496640.db2.gz MPCYMULYKJCROS-GARJFASQSA-N 2 2 268.361 -0.937 20 0 CBADLP C[NH2+]CCOCCN(C)C(=O)CCn1cc[nH+]c1 ZINC000638590183 357498770 /nfs/dbraw/zinc/49/87/70/357498770.db2.gz DMGRIASFVJMHSW-UHFFFAOYSA-N 2 2 254.334 -0.032 20 0 CBADLP Nc1nc(N)c(CN[C@@H]2CC[N@H+](CC3CC3)C2)c[nH+]1 ZINC000638582266 357498947 /nfs/dbraw/zinc/49/89/47/357498947.db2.gz LPDOTJLXIZIEBU-LLVKDONJSA-N 2 2 262.361 -0.124 20 0 CBADLP Nc1nc(N)c(CN[C@@H]2CC[N@@H+](CC3CC3)C2)c[nH+]1 ZINC000638582266 357498951 /nfs/dbraw/zinc/49/89/51/357498951.db2.gz LPDOTJLXIZIEBU-LLVKDONJSA-N 2 2 262.361 -0.124 20 0 CBADLP CO[C@]1(C[NH2+]C[C@H]2C[N@H+](C)CCN2C)CCOC1 ZINC000638596925 357499946 /nfs/dbraw/zinc/49/99/46/357499946.db2.gz TWXOLEKVXLFBRI-STQMWFEESA-N 2 2 257.378 -0.373 20 0 CBADLP CO[C@]1(C[NH2+]C[C@H]2C[N@@H+](C)CCN2C)CCOC1 ZINC000638596925 357499950 /nfs/dbraw/zinc/49/99/50/357499950.db2.gz TWXOLEKVXLFBRI-STQMWFEESA-N 2 2 257.378 -0.373 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638608383 357501102 /nfs/dbraw/zinc/50/11/02/357501102.db2.gz APIYPNLLRPGIQH-YPMHNXCESA-N 2 2 271.361 -0.811 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638608383 357501105 /nfs/dbraw/zinc/50/11/05/357501105.db2.gz APIYPNLLRPGIQH-YPMHNXCESA-N 2 2 271.361 -0.811 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000638609215 357501365 /nfs/dbraw/zinc/50/13/65/357501365.db2.gz FPRLSLWKLWAKSX-NXEZZACHSA-N 2 2 277.315 -0.322 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000638609215 357501369 /nfs/dbraw/zinc/50/13/69/357501369.db2.gz FPRLSLWKLWAKSX-NXEZZACHSA-N 2 2 277.315 -0.322 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)CC1CC[NH2+]CC1 ZINC000638610263 357502305 /nfs/dbraw/zinc/50/23/05/357502305.db2.gz JSHJYQLAIHYSIT-LBPRGKRZSA-N 2 2 255.362 -0.177 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)CC1CC[NH2+]CC1 ZINC000638610263 357502310 /nfs/dbraw/zinc/50/23/10/357502310.db2.gz JSHJYQLAIHYSIT-LBPRGKRZSA-N 2 2 255.362 -0.177 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000638609234 357502574 /nfs/dbraw/zinc/50/25/74/357502574.db2.gz FRHIBPUTQRREJA-QWRGUYRKSA-N 2 2 293.371 -0.453 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000638609234 357502577 /nfs/dbraw/zinc/50/25/77/357502577.db2.gz FRHIBPUTQRREJA-QWRGUYRKSA-N 2 2 293.371 -0.453 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)CC1CC[NH2+]CC1 ZINC000638610261 357502795 /nfs/dbraw/zinc/50/27/95/357502795.db2.gz JSHJYQLAIHYSIT-GFCCVEGCSA-N 2 2 255.362 -0.177 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)CC1CC[NH2+]CC1 ZINC000638610261 357502796 /nfs/dbraw/zinc/50/27/96/357502796.db2.gz JSHJYQLAIHYSIT-GFCCVEGCSA-N 2 2 255.362 -0.177 20 0 CBADLP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC[C@@H]2COCC[N@@H+]2C)C1(C)C ZINC000638610307 357502807 /nfs/dbraw/zinc/50/28/07/357502807.db2.gz JXXJSNJXDAQQQB-LALPHHSUSA-N 2 2 299.415 -0.034 20 0 CBADLP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC[C@@H]2COCC[N@H+]2C)C1(C)C ZINC000638610307 357502808 /nfs/dbraw/zinc/50/28/08/357502808.db2.gz JXXJSNJXDAQQQB-LALPHHSUSA-N 2 2 299.415 -0.034 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000638610874 357502838 /nfs/dbraw/zinc/50/28/38/357502838.db2.gz LOJHGKBFPYOTFH-RYUDHWBXSA-N 2 2 271.361 -0.798 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000638610874 357502840 /nfs/dbraw/zinc/50/28/40/357502840.db2.gz LOJHGKBFPYOTFH-RYUDHWBXSA-N 2 2 271.361 -0.798 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)COC1CCC([NH3+])CC1 ZINC000638611307 357502885 /nfs/dbraw/zinc/50/28/85/357502885.db2.gz NVUZVIAXMXRQKN-OTTFEQOBSA-N 2 2 285.388 -0.280 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)COC1CCC([NH3+])CC1 ZINC000638611307 357502889 /nfs/dbraw/zinc/50/28/89/357502889.db2.gz NVUZVIAXMXRQKN-OTTFEQOBSA-N 2 2 285.388 -0.280 20 0 CBADLP COc1ccccc1[C@H]([NH3+])C(=O)NC[C@H]1COCC[NH2+]1 ZINC000638624027 357512198 /nfs/dbraw/zinc/51/21/98/357512198.db2.gz MUJSZYCGAFGHAL-GWCFXTLKSA-N 2 2 279.340 -0.200 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCC[NH2+]CC1 ZINC000638612993 357504912 /nfs/dbraw/zinc/50/49/12/357504912.db2.gz ZKWXLSWHMLPAAO-NWDGAFQWSA-N 2 2 255.362 -0.177 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCC[NH2+]CC1 ZINC000638612993 357504918 /nfs/dbraw/zinc/50/49/18/357504918.db2.gz ZKWXLSWHMLPAAO-NWDGAFQWSA-N 2 2 255.362 -0.177 20 0 CBADLP CCc1c[nH]c(CC(=O)NC[C@@H]2COCC[NH2+]2)[nH+]1 ZINC000638613448 357505156 /nfs/dbraw/zinc/50/51/56/357505156.db2.gz WWRASQMENBAEPX-SNVBAGLBSA-N 2 2 252.318 -0.381 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)COC1CC[NH2+]CC1 ZINC000638612616 357505352 /nfs/dbraw/zinc/50/53/52/357505352.db2.gz VWCXVJWWURBUQJ-NSHDSACASA-N 2 2 271.361 -0.798 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)COC1CC[NH2+]CC1 ZINC000638612616 357505355 /nfs/dbraw/zinc/50/53/55/357505355.db2.gz VWCXVJWWURBUQJ-NSHDSACASA-N 2 2 271.361 -0.798 20 0 CBADLP C[C@H](C(=O)N[C@@H]1CC[NH2+]C1(C)C)N1CC[NH2+]CC1=O ZINC000638270057 357447050 /nfs/dbraw/zinc/44/70/50/357447050.db2.gz FDUFEZNSPFBRTD-NXEZZACHSA-N 2 2 268.361 -0.937 20 0 CBADLP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N(C)CC[NH+]2CCOCC2)C1 ZINC000638275730 357447949 /nfs/dbraw/zinc/44/79/49/357447949.db2.gz NRLYDEHYSOIENT-GXTWGEPZSA-N 2 2 285.388 -0.456 20 0 CBADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)[C@]2(C)C[NH2+]CCO2)C[C@H](C)O1 ZINC000638282683 357451005 /nfs/dbraw/zinc/45/10/05/357451005.db2.gz UGSHMDAWRICOKK-GUTXKFCHSA-N 2 2 299.415 -0.068 20 0 CBADLP C[C@@H]1C[N@H+](CCN(C)C(=O)[C@]2(C)C[NH2+]CCO2)C[C@H](C)O1 ZINC000638282683 357451008 /nfs/dbraw/zinc/45/10/08/357451008.db2.gz UGSHMDAWRICOKK-GUTXKFCHSA-N 2 2 299.415 -0.068 20 0 CBADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638284208 357452027 /nfs/dbraw/zinc/45/20/27/357452027.db2.gz PICWKOOCNKQMKQ-OLZOCXBDSA-N 2 2 296.415 -0.395 20 0 CBADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638284208 357452031 /nfs/dbraw/zinc/45/20/31/357452031.db2.gz PICWKOOCNKQMKQ-OLZOCXBDSA-N 2 2 296.415 -0.395 20 0 CBADLP CN(CCCn1cc[nH+]c1)C(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638301205 357452926 /nfs/dbraw/zinc/45/29/26/357452926.db2.gz MKPRAGDFGJOQLZ-WDEREUQCSA-N 2 2 252.318 -0.152 20 0 CBADLP C[NH+](C)CC(C)(C)C[NH2+]Cc1cnc(N)nc1N ZINC000638298710 357453290 /nfs/dbraw/zinc/45/32/90/357453290.db2.gz DSELCCHYNTWJOI-UHFFFAOYSA-N 2 2 252.366 -0.021 20 0 CBADLP O=C(Cc1cn2ccccc2[nH+]1)NC[C@H]1COCC[NH2+]1 ZINC000638618862 357509371 /nfs/dbraw/zinc/50/93/71/357509371.db2.gz OZWXTDIDIWMEPL-LBPRGKRZSA-N 2 2 274.324 -0.019 20 0 CBADLP C[C@H](C(=O)N1CCC2(CC[NH2+]2)CC1)N1CC[NH2+]CC1=O ZINC000638355594 357461170 /nfs/dbraw/zinc/46/11/70/357461170.db2.gz NXYCSIOJSQXDMU-LLVKDONJSA-N 2 2 280.372 -0.839 20 0 CBADLP C[C@H](C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1)N1CC[NH2+]CC1=O ZINC000638366589 357462449 /nfs/dbraw/zinc/46/24/49/357462449.db2.gz PBALAJDAROFJJI-NEPJUHHUSA-N 2 2 294.399 -0.402 20 0 CBADLP C[C@@H](C(=O)NCCC[NH2+]C1CC1)N1CC[NH2+]CC1=O ZINC000638375234 357463545 /nfs/dbraw/zinc/46/35/45/357463545.db2.gz WEKKSUFRSKMALI-JTQLQIEISA-N 2 2 268.361 -0.935 20 0 CBADLP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638372443 357463667 /nfs/dbraw/zinc/46/36/67/357463667.db2.gz WPTALLYTQUUWBI-GUBZILKMSA-N 2 2 256.350 -0.951 20 0 CBADLP CCCN(CC[NH+](C)C)C(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638378573 357464986 /nfs/dbraw/zinc/46/49/86/357464986.db2.gz YSPFAUDNTYLXTD-LBPRGKRZSA-N 2 2 284.404 -0.393 20 0 CBADLP C[C@H](C(=O)N1CCC[C@@H](C)[C@@H]1CC[NH3+])N1CC[NH2+]CC1=O ZINC000638388831 357466259 /nfs/dbraw/zinc/46/62/59/357466259.db2.gz AOFLWRAPBULNRR-UPJWGTAASA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@H](CNC(=O)[C@@]1(C)C[NH2+]CCO1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000638395914 357466789 /nfs/dbraw/zinc/46/67/89/357466789.db2.gz FWHAQFVIGMVWPW-GUIRCDHDSA-N 2 2 299.415 -0.021 20 0 CBADLP C[C@H](CNC(=O)[C@@]1(C)C[NH2+]CCO1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000638395914 357466793 /nfs/dbraw/zinc/46/67/93/357466793.db2.gz FWHAQFVIGMVWPW-GUIRCDHDSA-N 2 2 299.415 -0.021 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)c2cnc(C[NH3+])nc2)[C@@H](C)CO1 ZINC000638407422 357468922 /nfs/dbraw/zinc/46/89/22/357468922.db2.gz VPLWZXLHXWABOS-QWRGUYRKSA-N 2 2 293.371 -0.226 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)c2cnc(C[NH3+])nc2)[C@@H](C)CO1 ZINC000638407422 357468926 /nfs/dbraw/zinc/46/89/26/357468926.db2.gz VPLWZXLHXWABOS-QWRGUYRKSA-N 2 2 293.371 -0.226 20 0 CBADLP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1)N1CC[NH2+]CC1=O ZINC000638405464 357469162 /nfs/dbraw/zinc/46/91/62/357469162.db2.gz ZXZBULSFTBBASS-NWDGAFQWSA-N 2 2 296.415 -0.204 20 0 CBADLP C[C@@H](C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1)N1CC[NH2+]CC1=O ZINC000638405464 357469167 /nfs/dbraw/zinc/46/91/67/357469167.db2.gz ZXZBULSFTBBASS-NWDGAFQWSA-N 2 2 296.415 -0.204 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)CN2CC[NH2+]CC2)[C@@H](C)CO1 ZINC000638407603 357469180 /nfs/dbraw/zinc/46/91/80/357469180.db2.gz BUWPXGHLYCZNRD-STQMWFEESA-N 2 2 284.404 -0.883 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)CN2CC[NH2+]CC2)[C@@H](C)CO1 ZINC000638407603 357469185 /nfs/dbraw/zinc/46/91/85/357469185.db2.gz BUWPXGHLYCZNRD-STQMWFEESA-N 2 2 284.404 -0.883 20 0 CBADLP C[C@H](C(=O)NCC[C@H](C)[NH+](C)C)N1CC[NH2+]CC1=O ZINC000638408672 357470562 /nfs/dbraw/zinc/47/05/62/357470562.db2.gz IFFQXSPNPYXVJP-WDEREUQCSA-N 2 2 270.377 -0.737 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CCC1C[NH2+]C1 ZINC000638410264 357470849 /nfs/dbraw/zinc/47/08/49/357470849.db2.gz XVAZYCAQDNNOCA-UHFFFAOYSA-N 3 2 270.421 -0.014 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CCC1C[NH2+]C1 ZINC000638410264 357470852 /nfs/dbraw/zinc/47/08/52/357470852.db2.gz XVAZYCAQDNNOCA-UHFFFAOYSA-N 3 2 270.421 -0.014 20 0 CBADLP C[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)N1CC[NH2+]CC1=O ZINC000638417347 357472277 /nfs/dbraw/zinc/47/22/77/357472277.db2.gz ZCZDHAVIHHXLHR-ODWCKFRGSA-N 2 2 294.399 -0.452 20 0 CBADLP C[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)N1CC[NH2+]CC1=O ZINC000638417347 357472280 /nfs/dbraw/zinc/47/22/80/357472280.db2.gz ZCZDHAVIHHXLHR-ODWCKFRGSA-N 2 2 294.399 -0.452 20 0 CBADLP C[C@H](C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1)N1CC[NH2+]CC1=O ZINC000638440804 357477384 /nfs/dbraw/zinc/47/73/84/357477384.db2.gz BOJUBYHOYQUECH-GYSYKLTISA-N 2 2 280.372 -0.854 20 0 CBADLP Cn1c[nH+]cc1CC[N@@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000639551289 357578058 /nfs/dbraw/zinc/57/80/58/357578058.db2.gz JEQQMYQSOYIPNA-SNVBAGLBSA-N 2 2 263.301 -0.801 20 0 CBADLP Cn1c[nH+]cc1CC[N@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000639551289 357578060 /nfs/dbraw/zinc/57/80/60/357578060.db2.gz JEQQMYQSOYIPNA-SNVBAGLBSA-N 2 2 263.301 -0.801 20 0 CBADLP C[NH+](C)CC(=O)N1CC[NH+](Cc2cc[nH]c(=O)c2)CC1 ZINC000639450427 357573144 /nfs/dbraw/zinc/57/31/44/357573144.db2.gz MTWWRSILAWMSNA-UHFFFAOYSA-N 2 2 278.356 -0.007 20 0 CBADLP CCc1c[nH]c(CC(=O)N(C)CCOCC[NH3+])[nH+]1 ZINC000638673327 357519025 /nfs/dbraw/zinc/51/90/25/357519025.db2.gz KATSGYZXVFTIMB-UHFFFAOYSA-N 2 2 254.334 -0.052 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000638814694 357533378 /nfs/dbraw/zinc/53/33/78/357533378.db2.gz AKYMSNGLEFVKLE-NEPJUHHUSA-N 3 2 256.394 -0.005 20 0 CBADLP Nc1ncc(C[NH2+]CCC[NH+]2CCCC2)c(N)n1 ZINC000638847554 357536713 /nfs/dbraw/zinc/53/67/13/357536713.db2.gz BEEABOYVOMOOBA-UHFFFAOYSA-N 2 2 250.350 -0.123 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638914873 357542872 /nfs/dbraw/zinc/54/28/72/357542872.db2.gz FEBNJTITQXZXBO-QWRGUYRKSA-N 2 2 268.361 -0.985 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638914873 357542875 /nfs/dbraw/zinc/54/28/75/357542875.db2.gz FEBNJTITQXZXBO-QWRGUYRKSA-N 2 2 268.361 -0.985 20 0 CBADLP C[N@@H+]1CC[C@H]2CCN(Cc3c[nH+]c(N)nc3N)[C@@H]2C1 ZINC000638917937 357543119 /nfs/dbraw/zinc/54/31/19/357543119.db2.gz KFNCXVWJCJPUDM-GXSJLCMTSA-N 2 2 262.361 -0.172 20 0 CBADLP C[N@H+]1CC[C@H]2CCN(Cc3c[nH+]c(N)nc3N)[C@@H]2C1 ZINC000638917937 357543126 /nfs/dbraw/zinc/54/31/26/357543126.db2.gz KFNCXVWJCJPUDM-GXSJLCMTSA-N 2 2 262.361 -0.172 20 0 CBADLP CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1CCc1c[nH+]cn1C ZINC000639536572 357576590 /nfs/dbraw/zinc/57/65/90/357576590.db2.gz SBGMKPFZFNIQEA-LBPRGKRZSA-N 2 2 286.401 -0.024 20 0 CBADLP CNS(=O)(=O)C[C@@H]1CCC[N@H+]1CCc1c[nH+]cn1C ZINC000639536572 357576592 /nfs/dbraw/zinc/57/65/92/357576592.db2.gz SBGMKPFZFNIQEA-LBPRGKRZSA-N 2 2 286.401 -0.024 20 0 CBADLP O=C(Nc1cc(N2CC[NH2+]CC2)ccn1)[C@@H]1COCC[NH2+]1 ZINC000638987527 357548747 /nfs/dbraw/zinc/54/87/47/357548747.db2.gz TVHLVUNFCYQDBJ-LBPRGKRZSA-N 2 2 291.355 -0.582 20 0 CBADLP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)[C@H]1CC[NH2+]1 ZINC000638985125 357549333 /nfs/dbraw/zinc/54/93/33/357549333.db2.gz ZOQPBGFIAPTFGO-LLVKDONJSA-N 3 2 261.329 -0.208 20 0 CBADLP CC(C)([NH3+])C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000639002800 357549886 /nfs/dbraw/zinc/54/98/86/357549886.db2.gz ANUSACMLKQNAGZ-UHFFFAOYSA-N 2 2 277.372 -0.099 20 0 CBADLP [NH3+]CC1(NC(=O)CN2CC[NH2+]CC2=O)CCCCC1 ZINC000639001369 357550160 /nfs/dbraw/zinc/55/01/60/357550160.db2.gz KCMMNRZRHIRYPQ-UHFFFAOYSA-N 2 2 268.361 -0.804 20 0 CBADLP CC[C@@H]([NH3+])C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000639004658 357550749 /nfs/dbraw/zinc/55/07/49/357550749.db2.gz QVUBDUMNOMIUFY-CYBMUJFWSA-N 2 2 277.372 -0.099 20 0 CBADLP CC[N@@H+]1CCN(Cc2c[nH+]c(N)nc2N)[C@@H](C)C1 ZINC000639159238 357558979 /nfs/dbraw/zinc/55/89/79/357558979.db2.gz BYHOVBKDKJTOHU-VIFPVBQESA-N 2 2 250.350 -0.172 20 0 CBADLP CC[N@H+]1CCN(Cc2c[nH+]c(N)nc2N)[C@@H](C)C1 ZINC000639159238 357558983 /nfs/dbraw/zinc/55/89/83/357558983.db2.gz BYHOVBKDKJTOHU-VIFPVBQESA-N 2 2 250.350 -0.172 20 0 CBADLP CNS(=O)(=O)[C@@H]1CC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000639543805 357577738 /nfs/dbraw/zinc/57/77/38/357577738.db2.gz ACMGMNGJJIYHNG-LLVKDONJSA-N 2 2 272.374 -0.414 20 0 CBADLP CNS(=O)(=O)[C@@H]1CC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000639543805 357577741 /nfs/dbraw/zinc/57/77/41/357577741.db2.gz ACMGMNGJJIYHNG-LLVKDONJSA-N 2 2 272.374 -0.414 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](n2ccnn2)C1 ZINC000639706150 357586493 /nfs/dbraw/zinc/58/64/93/357586493.db2.gz ABXCGYPFDRLIQU-STQMWFEESA-N 2 2 283.376 -0.536 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](n2ccnn2)C1 ZINC000639706150 357586496 /nfs/dbraw/zinc/58/64/96/357586496.db2.gz ABXCGYPFDRLIQU-STQMWFEESA-N 2 2 283.376 -0.536 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](n2ccnn2)C1 ZINC000639706150 357586501 /nfs/dbraw/zinc/58/65/01/357586501.db2.gz ABXCGYPFDRLIQU-STQMWFEESA-N 2 2 283.376 -0.536 20 0 CBADLP CCN1CC[C@@H]([N@@H+]2CCC[C@@](O)(C[NH+](C)C)C2)C1=O ZINC000639761624 357595768 /nfs/dbraw/zinc/59/57/68/357595768.db2.gz GULWFKAWARFUOT-TZMCWYRMSA-N 2 2 269.389 -0.004 20 0 CBADLP CCN1CC[C@@H]([N@H+]2CCC[C@@](O)(C[NH+](C)C)C2)C1=O ZINC000639761624 357595772 /nfs/dbraw/zinc/59/57/72/357595772.db2.gz GULWFKAWARFUOT-TZMCWYRMSA-N 2 2 269.389 -0.004 20 0 CBADLP CNS(=O)(=O)CCC[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639761070 357596368 /nfs/dbraw/zinc/59/63/68/357596368.db2.gz FXELNAUTDDPFBT-GFCCVEGCSA-N 2 2 293.433 -0.686 20 0 CBADLP CNS(=O)(=O)CCC[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639761070 357596370 /nfs/dbraw/zinc/59/63/70/357596370.db2.gz FXELNAUTDDPFBT-GFCCVEGCSA-N 2 2 293.433 -0.686 20 0 CBADLP C[NH+](C)C[C@]1(O)CCC[N@H+](C[C@@H]2CCC(=O)N2)C1 ZINC000639763287 357596406 /nfs/dbraw/zinc/59/64/06/357596406.db2.gz PQIDMXMIEZVTLC-WCQYABFASA-N 2 2 255.362 -0.347 20 0 CBADLP C[NH+](C)C[C@]1(O)CCC[N@@H+](C[C@@H]2CCC(=O)N2)C1 ZINC000639763287 357596408 /nfs/dbraw/zinc/59/64/08/357596408.db2.gz PQIDMXMIEZVTLC-WCQYABFASA-N 2 2 255.362 -0.347 20 0 CBADLP CN(C)S(=O)(=O)CC[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639761789 357596440 /nfs/dbraw/zinc/59/64/40/357596440.db2.gz DWEWIVDSNDKMAS-LBPRGKRZSA-N 2 2 293.433 -0.734 20 0 CBADLP CN(C)S(=O)(=O)CC[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639761789 357596441 /nfs/dbraw/zinc/59/64/41/357596441.db2.gz DWEWIVDSNDKMAS-LBPRGKRZSA-N 2 2 293.433 -0.734 20 0 CBADLP Cn1c[nH+]cc1CC[N@@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000639943473 357619306 /nfs/dbraw/zinc/61/93/06/357619306.db2.gz ZIMIRWUNOGKZDY-OKILXGFUSA-N 2 2 276.340 -0.053 20 0 CBADLP Cn1c[nH+]cc1CC[N@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000639943473 357619309 /nfs/dbraw/zinc/61/93/09/357619309.db2.gz ZIMIRWUNOGKZDY-OKILXGFUSA-N 2 2 276.340 -0.053 20 0 CBADLP CC[NH+]1CCN(C(=O)CNC(=O)[C@H](C)[NH+](C)C)CC1 ZINC000640358976 357650573 /nfs/dbraw/zinc/65/05/73/357650573.db2.gz NABDHQJTMDXCHC-NSHDSACASA-N 2 2 270.377 -0.783 20 0 CBADLP Cn1cc[nH+]c1Cn1cc(CN2CC[NH+](C)CC2)nn1 ZINC000640953864 357669626 /nfs/dbraw/zinc/66/96/26/357669626.db2.gz ONWFNCFYBOCBEZ-UHFFFAOYSA-N 2 2 275.360 -0.193 20 0 CBADLP COCC[NH2+]CCc1cn(CC[NH+]2CCOCC2)nn1 ZINC000641032277 357672545 /nfs/dbraw/zinc/67/25/45/357672545.db2.gz CPPMMZULZYBMMH-UHFFFAOYSA-N 2 2 283.376 -0.611 20 0 CBADLP C[NH+]1CCN(Cc2cn(CC[NH+]3CCOCC3)nn2)CC1 ZINC000641032889 357672777 /nfs/dbraw/zinc/67/27/77/357672777.db2.gz INCBWCNKMXGHGW-UHFFFAOYSA-N 2 2 294.403 -0.642 20 0 CBADLP CCOCC[C@H](O)C[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640050957 357631465 /nfs/dbraw/zinc/63/14/65/357631465.db2.gz AOBXQRFZLFJZDY-ZDUSSCGKSA-N 2 2 287.404 -0.520 20 0 CBADLP CCOCC[C@H](O)C[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640050957 357631470 /nfs/dbraw/zinc/63/14/70/357631470.db2.gz AOBXQRFZLFJZDY-ZDUSSCGKSA-N 2 2 287.404 -0.520 20 0 CBADLP C[C@@H](O)CCC[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640051488 357632914 /nfs/dbraw/zinc/63/29/14/357632914.db2.gz OCKUKRYQEAMNFK-GFCCVEGCSA-N 2 2 257.378 -0.147 20 0 CBADLP C[C@@H](O)CCC[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640051488 357632918 /nfs/dbraw/zinc/63/29/18/357632918.db2.gz OCKUKRYQEAMNFK-GFCCVEGCSA-N 2 2 257.378 -0.147 20 0 CBADLP CO[C@@H](C[N@H+](C)CC(=O)N1CC[NH+](C)CC1)[C@H]1CCOC1 ZINC000640064412 357634042 /nfs/dbraw/zinc/63/40/42/357634042.db2.gz VMLXJYKKPNDNOS-KBPBESRZSA-N 2 2 299.415 -0.256 20 0 CBADLP CO[C@@H](C[N@@H+](C)CC(=O)N1CC[NH+](C)CC1)[C@H]1CCOC1 ZINC000640064412 357634048 /nfs/dbraw/zinc/63/40/48/357634048.db2.gz VMLXJYKKPNDNOS-KBPBESRZSA-N 2 2 299.415 -0.256 20 0 CBADLP COCC[N@H+](C)Cc1cn(C[C@H](O)C[NH+](C)C2CC2)nn1 ZINC000641220979 357681064 /nfs/dbraw/zinc/68/10/64/357681064.db2.gz DOBZQWIXYVBHES-CQSZACIVSA-N 2 2 297.403 -0.189 20 0 CBADLP COCC[N@@H+](C)Cc1cn(C[C@H](O)C[NH+](C)C2CC2)nn1 ZINC000641220979 357681070 /nfs/dbraw/zinc/68/10/70/357681070.db2.gz DOBZQWIXYVBHES-CQSZACIVSA-N 2 2 297.403 -0.189 20 0 CBADLP COCC[NH+](C)Cc1cn(C[C@H](O)C[N@H+](C)C2CC2)nn1 ZINC000641220979 357681078 /nfs/dbraw/zinc/68/10/78/357681078.db2.gz DOBZQWIXYVBHES-CQSZACIVSA-N 2 2 297.403 -0.189 20 0 CBADLP COCC[NH+](C)Cc1cn(C[C@H](O)C[N@@H+](C)C2CC2)nn1 ZINC000641220979 357681081 /nfs/dbraw/zinc/68/10/81/357681081.db2.gz DOBZQWIXYVBHES-CQSZACIVSA-N 2 2 297.403 -0.189 20 0 CBADLP C[C@@H](CC(N)=O)[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641786583 357742033 /nfs/dbraw/zinc/74/20/33/357742033.db2.gz LJCWHFRMCMSXDG-UONOGXRCSA-N 2 2 298.431 -0.364 20 0 CBADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](CCc2cn[nH]c2)C1 ZINC000641799597 357743154 /nfs/dbraw/zinc/74/31/54/357743154.db2.gz YEBMCMQIYMMSCV-ZDUSSCGKSA-N 2 2 277.372 -0.152 20 0 CBADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](CCc2cn[nH]c2)C1 ZINC000641799597 357743158 /nfs/dbraw/zinc/74/31/58/357743158.db2.gz YEBMCMQIYMMSCV-ZDUSSCGKSA-N 2 2 277.372 -0.152 20 0 CBADLP CN1CCN(c2cc(N3CCC[C@@H]3C[NH3+])nc[nH+]2)CC1=O ZINC000643013341 357776020 /nfs/dbraw/zinc/77/60/20/357776020.db2.gz JQOKEXSNNWLEQG-LLVKDONJSA-N 2 2 290.371 -0.318 20 0 CBADLP C[C@H]1CN(C(=O)C(=O)N2CC[N@H+](C)C(C)(C)C2)[C@@H](C)C[NH2+]1 ZINC000641825856 357746274 /nfs/dbraw/zinc/74/62/74/357746274.db2.gz XPJNLPOQOHVWTH-RYUDHWBXSA-N 2 2 296.415 -0.252 20 0 CBADLP C[C@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)C(C)(C)C2)[C@@H](C)C[NH2+]1 ZINC000641825856 357746277 /nfs/dbraw/zinc/74/62/77/357746277.db2.gz XPJNLPOQOHVWTH-RYUDHWBXSA-N 2 2 296.415 -0.252 20 0 CBADLP CC(C)[C@H]1CN(C(=O)C(=O)NCCn2cc[nH+]c2)CC[NH2+]1 ZINC000642210345 357751836 /nfs/dbraw/zinc/75/18/36/357751836.db2.gz FOMIZKJXSFPSJS-GFCCVEGCSA-N 2 2 293.371 -0.544 20 0 CBADLP C[C@H](C[NH3+])NC(=O)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000642327559 357753426 /nfs/dbraw/zinc/75/34/26/357753426.db2.gz LGXLCQJGWHWORH-LLVKDONJSA-N 2 2 290.367 -0.418 20 0 CBADLP C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)NCCC[NH3+])C1 ZINC000642789017 357763978 /nfs/dbraw/zinc/76/39/78/357763978.db2.gz MEWZKYZAIYYIRA-CYBMUJFWSA-N 2 2 290.367 -0.246 20 0 CBADLP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)NCCC[NH3+])C1 ZINC000642789017 357763980 /nfs/dbraw/zinc/76/39/80/357763980.db2.gz MEWZKYZAIYYIRA-CYBMUJFWSA-N 2 2 290.367 -0.246 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000643472254 357784250 /nfs/dbraw/zinc/78/42/50/357784250.db2.gz MQNMNNDQBHVUIL-CHWSQXEVSA-N 3 2 268.405 -0.133 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000643472256 357784434 /nfs/dbraw/zinc/78/44/34/357784434.db2.gz MQNMNNDQBHVUIL-QWHCGFSZSA-N 3 2 268.405 -0.133 20 0 CBADLP CC[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CC)CC2)CC[C@H]1[NH3+] ZINC000643472974 357785217 /nfs/dbraw/zinc/78/52/17/357785217.db2.gz ZCLVFQXWUHSRAC-CHWSQXEVSA-N 2 2 296.415 -0.264 20 0 CBADLP CNC(=O)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000371294092 283320320 /nfs/dbraw/zinc/32/03/20/283320320.db2.gz IYRAMOUFKIFTQR-GRYCIOLGSA-N 2 2 255.362 -0.084 20 0 CBADLP CNC(=O)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000371294092 283320323 /nfs/dbraw/zinc/32/03/23/283320323.db2.gz IYRAMOUFKIFTQR-GRYCIOLGSA-N 2 2 255.362 -0.084 20 0 CBADLP COC(=O)NCC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369274061 291195127 /nfs/dbraw/zinc/19/51/27/291195127.db2.gz MFFXENVQRFAPQE-NSHDSACASA-N 2 2 298.387 -0.373 20 0 CBADLP COC(=O)NCC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369274061 291195128 /nfs/dbraw/zinc/19/51/28/291195128.db2.gz MFFXENVQRFAPQE-NSHDSACASA-N 2 2 298.387 -0.373 20 0 CBADLP CC[N@@H+]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)[C@@H](C)C1 ZINC000341781231 216102470 /nfs/dbraw/zinc/10/24/70/216102470.db2.gz VBIRHKBVPVABBR-NWDGAFQWSA-N 2 2 255.362 -0.130 20 0 CBADLP CC[N@H+]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)[C@@H](C)C1 ZINC000341781231 216102473 /nfs/dbraw/zinc/10/24/73/216102473.db2.gz VBIRHKBVPVABBR-NWDGAFQWSA-N 2 2 255.362 -0.130 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)[C@@H](C)C1 ZINC000341781231 216102474 /nfs/dbraw/zinc/10/24/74/216102474.db2.gz VBIRHKBVPVABBR-NWDGAFQWSA-N 2 2 255.362 -0.130 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)[C@@H](C)C1 ZINC000341781231 216102478 /nfs/dbraw/zinc/10/24/78/216102478.db2.gz VBIRHKBVPVABBR-NWDGAFQWSA-N 2 2 255.362 -0.130 20 0 CBADLP C[C@H](CC(N)=O)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000341889473 216139568 /nfs/dbraw/zinc/13/95/68/216139568.db2.gz OJRXFWIGEJFBJK-VXGBXAGGSA-N 2 2 284.404 -0.217 20 0 CBADLP C[C@H](CC(N)=O)[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000341889473 216139570 /nfs/dbraw/zinc/13/95/70/216139570.db2.gz OJRXFWIGEJFBJK-VXGBXAGGSA-N 2 2 284.404 -0.217 20 0 CBADLP C[C@@H]([NH3+])CC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000430772972 296016648 /nfs/dbraw/zinc/01/66/48/296016648.db2.gz PGCWFXKQHBNBOW-LLVKDONJSA-N 3 2 256.394 -0.134 20 0 CBADLP C[C@@H]([NH3+])CN1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000442653911 296020070 /nfs/dbraw/zinc/02/00/70/296020070.db2.gz AOTYOMVCODHQEZ-GHMZBOCLSA-N 2 2 254.378 -0.382 20 0 CBADLP C[C@@H]([NH3+])C[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000442662290 296020199 /nfs/dbraw/zinc/02/01/99/296020199.db2.gz HLMWUKPYUXJQQB-NEPJUHHUSA-N 2 2 255.362 -0.096 20 0 CBADLP C[C@@H]([NH3+])C[N@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000442662290 296020202 /nfs/dbraw/zinc/02/02/02/296020202.db2.gz HLMWUKPYUXJQQB-NEPJUHHUSA-N 2 2 255.362 -0.096 20 0 CBADLP O=C1C[C@@H]([NH2+]Cc2cc[nH]n2)CN1CC[NH+]1CCOCC1 ZINC000178905125 189154255 /nfs/dbraw/zinc/15/42/55/189154255.db2.gz JKOBKLFIZMDZBH-CYBMUJFWSA-N 2 2 293.371 -0.568 20 0 CBADLP COC[C@@H](C)NC(=O)NC(=O)C[NH2+]CC1([NH3+])CCC1 ZINC000342119067 216224871 /nfs/dbraw/zinc/22/48/71/216224871.db2.gz HCPQXCBEHUMCMA-SECBINFHSA-N 2 2 272.349 -0.682 20 0 CBADLP C[C@H]([NH2+]CC1([NH3+])CCC1)C(=O)NC(=O)NC1CC1 ZINC000342129739 216230432 /nfs/dbraw/zinc/23/04/32/216230432.db2.gz HHDWZQWBRLIITO-QMMMGPOBSA-N 2 2 254.334 -0.166 20 0 CBADLP Cn1c(=O)cc(C[N@H+](C)CCCn2cc[nH+]c2)n(C)c1=O ZINC000179255648 189180484 /nfs/dbraw/zinc/18/04/84/189180484.db2.gz AXLKAELQFGHQDK-UHFFFAOYSA-N 2 2 291.355 -0.197 20 0 CBADLP Cn1c(=O)cc(C[N@@H+](C)CCCn2cc[nH+]c2)n(C)c1=O ZINC000179255648 189180485 /nfs/dbraw/zinc/18/04/85/189180485.db2.gz AXLKAELQFGHQDK-UHFFFAOYSA-N 2 2 291.355 -0.197 20 0 CBADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)N1CCNC1=O ZINC000181076356 189287578 /nfs/dbraw/zinc/28/75/78/189287578.db2.gz NDDCSWHAIGNYHK-UHFFFAOYSA-N 2 2 265.317 -0.243 20 0 CBADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)N1CCNC1=O ZINC000181076356 189287579 /nfs/dbraw/zinc/28/75/79/189287579.db2.gz NDDCSWHAIGNYHK-UHFFFAOYSA-N 2 2 265.317 -0.243 20 0 CBADLP C[C@]1(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC[NH2+]C1 ZINC000514949309 291380612 /nfs/dbraw/zinc/38/06/12/291380612.db2.gz DKQTYRGGPKOFKQ-WZRBSPASSA-N 3 2 252.362 -0.770 20 0 CBADLP C[C@]1(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC[NH2+]C1 ZINC000514949309 291380615 /nfs/dbraw/zinc/38/06/15/291380615.db2.gz DKQTYRGGPKOFKQ-WZRBSPASSA-N 3 2 252.362 -0.770 20 0 CBADLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000424336885 299370287 /nfs/dbraw/zinc/37/02/87/299370287.db2.gz RJTQBFUBWNAGJV-WUHRBBMRSA-N 2 2 296.415 -0.042 20 0 CBADLP COC(=O)C1(O)CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000330595239 203016471 /nfs/dbraw/zinc/01/64/71/203016471.db2.gz BQPABUCEBZPPBI-UHFFFAOYSA-N 2 2 253.302 -0.117 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000574276377 335006082 /nfs/dbraw/zinc/00/60/82/335006082.db2.gz ZCDBTSNVZXBOKK-LBPRGKRZSA-N 2 2 298.431 -0.053 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000574276377 335006083 /nfs/dbraw/zinc/00/60/83/335006083.db2.gz ZCDBTSNVZXBOKK-LBPRGKRZSA-N 2 2 298.431 -0.053 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000276189062 193237190 /nfs/dbraw/zinc/23/71/90/193237190.db2.gz HQGUDDPRQTVNHC-VXGBXAGGSA-N 2 2 278.356 -0.108 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000276189062 193237192 /nfs/dbraw/zinc/23/71/92/193237192.db2.gz HQGUDDPRQTVNHC-VXGBXAGGSA-N 2 2 278.356 -0.108 20 0 CBADLP COCC[NH+]1CCC([NH2+][C@H](C)C(=O)NC(N)=O)CC1 ZINC000330907921 203378673 /nfs/dbraw/zinc/37/86/73/203378673.db2.gz WNGDJQRPECRZPY-SECBINFHSA-N 2 2 272.349 -0.316 20 0 CBADLP COC(=O)[C@@H]1[C@@H](O)CCC[N@@H+]1CCn1cc[nH+]c1 ZINC000189585290 284200963 /nfs/dbraw/zinc/20/09/63/284200963.db2.gz HDAYCYHXVSENAQ-QWRGUYRKSA-N 2 2 253.302 -0.119 20 0 CBADLP COC(=O)[C@@H]1[C@@H](O)CCC[N@H+]1CCn1cc[nH+]c1 ZINC000189585290 284200966 /nfs/dbraw/zinc/20/09/66/284200966.db2.gz HDAYCYHXVSENAQ-QWRGUYRKSA-N 2 2 253.302 -0.119 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)NCC[NH+]2CCCOCC2)[N@H+](C)C1 ZINC000331657223 204049334 /nfs/dbraw/zinc/04/93/34/204049334.db2.gz OJPJPRMNPDKWJN-STQMWFEESA-N 2 2 285.388 -0.456 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)NCC[NH+]2CCCOCC2)[N@@H+](C)C1 ZINC000331657223 204049338 /nfs/dbraw/zinc/04/93/38/204049338.db2.gz OJPJPRMNPDKWJN-STQMWFEESA-N 2 2 285.388 -0.456 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)NCC[N@@H+]2CCCOCC2)[NH+](C)C1 ZINC000331657223 204049340 /nfs/dbraw/zinc/04/93/40/204049340.db2.gz OJPJPRMNPDKWJN-STQMWFEESA-N 2 2 285.388 -0.456 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)NCC[N@H+]2CCCOCC2)[NH+](C)C1 ZINC000331657223 204049345 /nfs/dbraw/zinc/04/93/45/204049345.db2.gz OJPJPRMNPDKWJN-STQMWFEESA-N 2 2 285.388 -0.456 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)C1 ZINC000353317551 220024123 /nfs/dbraw/zinc/02/41/23/220024123.db2.gz WEUAUSBFWJTQLN-KBPBESRZSA-N 2 2 298.431 -0.541 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)C1 ZINC000353317551 220024125 /nfs/dbraw/zinc/02/41/25/220024125.db2.gz WEUAUSBFWJTQLN-KBPBESRZSA-N 2 2 298.431 -0.541 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000344280152 217130145 /nfs/dbraw/zinc/13/01/45/217130145.db2.gz IUZWTNHUVVEZEP-OLZOCXBDSA-N 3 2 268.405 -0.310 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000344280152 217130147 /nfs/dbraw/zinc/13/01/47/217130147.db2.gz IUZWTNHUVVEZEP-OLZOCXBDSA-N 3 2 268.405 -0.310 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000344280151 217130319 /nfs/dbraw/zinc/13/03/19/217130319.db2.gz IUZWTNHUVVEZEP-CHWSQXEVSA-N 3 2 268.405 -0.310 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000344280151 217130321 /nfs/dbraw/zinc/13/03/21/217130321.db2.gz IUZWTNHUVVEZEP-CHWSQXEVSA-N 3 2 268.405 -0.310 20 0 CBADLP CC[NH+]1CCN(CCCNC(=O)[C@H]2[NH2+]CCO[C@H]2C)CC1 ZINC000344310062 217144067 /nfs/dbraw/zinc/14/40/67/217144067.db2.gz HEHQGSBOLUAMPO-KBPBESRZSA-N 2 2 298.431 -0.493 20 0 CBADLP CCN1CC[NH+](CCCNC(=O)[C@H]2[NH2+]CCO[C@H]2C)CC1 ZINC000344310062 217144069 /nfs/dbraw/zinc/14/40/69/217144069.db2.gz HEHQGSBOLUAMPO-KBPBESRZSA-N 2 2 298.431 -0.493 20 0 CBADLP C[C@@H]1[C@H]([NH2+]Cc2cn(C)c(=O)n(C)c2=O)CCC[N@@H+]1C ZINC000344324041 217149304 /nfs/dbraw/zinc/14/93/04/217149304.db2.gz FRZAUYJTBZUSMQ-ZYHUDNBSSA-N 2 2 280.372 -0.344 20 0 CBADLP C[C@@H]1[C@H]([NH2+]Cc2cn(C)c(=O)n(C)c2=O)CCC[N@H+]1C ZINC000344324041 217149306 /nfs/dbraw/zinc/14/93/06/217149306.db2.gz FRZAUYJTBZUSMQ-ZYHUDNBSSA-N 2 2 280.372 -0.344 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000574410234 335017640 /nfs/dbraw/zinc/01/76/40/335017640.db2.gz CXGBZHFICZZDGD-CYDGBPFRSA-N 2 2 269.389 -0.115 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000574410234 335017641 /nfs/dbraw/zinc/01/76/41/335017641.db2.gz CXGBZHFICZZDGD-CYDGBPFRSA-N 2 2 269.389 -0.115 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000574410234 335017642 /nfs/dbraw/zinc/01/76/42/335017642.db2.gz CXGBZHFICZZDGD-CYDGBPFRSA-N 2 2 269.389 -0.115 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000574410234 335017643 /nfs/dbraw/zinc/01/76/43/335017643.db2.gz CXGBZHFICZZDGD-CYDGBPFRSA-N 2 2 269.389 -0.115 20 0 CBADLP C[N@@H+]1CCO[C@@H]2CN(C(=O)C[NH2+]CC3CC3)C[C@@H]21 ZINC000353389929 220057990 /nfs/dbraw/zinc/05/79/90/220057990.db2.gz ROXVZJZBUOIVQR-NWDGAFQWSA-N 2 2 253.346 -0.473 20 0 CBADLP C[N@H+]1CCO[C@@H]2CN(C(=O)C[NH2+]CC3CC3)C[C@@H]21 ZINC000353389929 220057992 /nfs/dbraw/zinc/05/79/92/220057992.db2.gz ROXVZJZBUOIVQR-NWDGAFQWSA-N 2 2 253.346 -0.473 20 0 CBADLP CO[C@@H](C[NH3+])C(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000353426915 220074758 /nfs/dbraw/zinc/07/47/58/220074758.db2.gz KNSBDSSPMMOUSM-LBPRGKRZSA-N 2 2 281.360 -0.962 20 0 CBADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000333178722 205095393 /nfs/dbraw/zinc/09/53/93/205095393.db2.gz RTKISKFAGACGQQ-ZDUSSCGKSA-N 2 2 277.328 -0.134 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCS[C@H]3COCC[C@@H]32)CC1 ZINC000093191217 372776304 /nfs/dbraw/zinc/77/63/04/372776304.db2.gz FJMVCKWBWPDRBE-STQMWFEESA-N 2 2 299.440 -0.033 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CCS[C@H]3COCC[C@@H]32)CC1 ZINC000093191217 372776309 /nfs/dbraw/zinc/77/63/09/372776309.db2.gz FJMVCKWBWPDRBE-STQMWFEESA-N 2 2 299.440 -0.033 20 0 CBADLP C[C@H]1[NH2+]CCC[C@H]1NC(=O)NCC[NH+]1CCOCC1 ZINC000333156723 205078205 /nfs/dbraw/zinc/07/82/05/205078205.db2.gz LGLKRCDRNLWOLG-VXGBXAGGSA-N 2 2 270.377 -0.242 20 0 CBADLP CCNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000162582018 372820803 /nfs/dbraw/zinc/82/08/03/372820803.db2.gz OJNNIRWEMOZUON-CYBMUJFWSA-N 2 2 296.415 -0.249 20 0 CBADLP CCNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000162582018 372820811 /nfs/dbraw/zinc/82/08/11/372820811.db2.gz OJNNIRWEMOZUON-CYBMUJFWSA-N 2 2 296.415 -0.249 20 0 CBADLP C[C@H]1CC[N@H+](CC(=O)NC(=O)NC2CC2)C[C@@H]1C[NH3+] ZINC000163811535 372823106 /nfs/dbraw/zinc/82/31/06/372823106.db2.gz FPSHIHQHHMKNEY-UWVGGRQHSA-N 2 2 268.361 -0.109 20 0 CBADLP C[C@H]1CC[N@@H+](CC(=O)NC(=O)NC2CC2)C[C@@H]1C[NH3+] ZINC000163811535 372823117 /nfs/dbraw/zinc/82/31/17/372823117.db2.gz FPSHIHQHHMKNEY-UWVGGRQHSA-N 2 2 268.361 -0.109 20 0 CBADLP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)N3CCNC(=O)C3)CC[C@@H]21 ZINC000158531308 372814310 /nfs/dbraw/zinc/81/43/10/372814310.db2.gz CPHRRSSBMMGGIK-STQMWFEESA-N 2 2 294.399 -0.639 20 0 CBADLP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)N3CCNC(=O)C3)CC[C@@H]21 ZINC000158531308 372814313 /nfs/dbraw/zinc/81/43/13/372814313.db2.gz CPHRRSSBMMGGIK-STQMWFEESA-N 2 2 294.399 -0.639 20 0 CBADLP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)N3CCNC(=O)C3)CC[C@@H]21 ZINC000158531308 372814315 /nfs/dbraw/zinc/81/43/15/372814315.db2.gz CPHRRSSBMMGGIK-STQMWFEESA-N 2 2 294.399 -0.639 20 0 CBADLP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)N3CCNC(=O)C3)CC[C@@H]21 ZINC000158531308 372814317 /nfs/dbraw/zinc/81/43/17/372814317.db2.gz CPHRRSSBMMGGIK-STQMWFEESA-N 2 2 294.399 -0.639 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC000172714955 372830581 /nfs/dbraw/zinc/83/05/81/372830581.db2.gz YVOWGBWPFITHSH-GFCCVEGCSA-N 2 2 253.346 -0.376 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC000172714955 372830593 /nfs/dbraw/zinc/83/05/93/372830593.db2.gz YVOWGBWPFITHSH-GFCCVEGCSA-N 2 2 253.346 -0.376 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[NH+](CC)CC2)CC1 ZINC000170315201 372828749 /nfs/dbraw/zinc/82/87/49/372828749.db2.gz AZVJJZCWNBLWHR-UHFFFAOYSA-N 2 2 282.388 -0.685 20 0 CBADLP C[C@H](CNC[C@@H](O)C[NH+]1CCOCC1)[N@H+](C)C1CC1 ZINC000218989454 372871359 /nfs/dbraw/zinc/87/13/59/372871359.db2.gz BAIFPOBWBAWDSM-TZMCWYRMSA-N 2 2 271.405 -0.248 20 0 CBADLP C[C@H](CNC[C@@H](O)C[NH+]1CCOCC1)[N@@H+](C)C1CC1 ZINC000218989454 372871368 /nfs/dbraw/zinc/87/13/68/372871368.db2.gz BAIFPOBWBAWDSM-TZMCWYRMSA-N 2 2 271.405 -0.248 20 0 CBADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000353472030 220101875 /nfs/dbraw/zinc/10/18/75/220101875.db2.gz PPLMHQUCRHPXKS-GFCCVEGCSA-N 2 2 282.388 -0.591 20 0 CBADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000353472030 220101878 /nfs/dbraw/zinc/10/18/78/220101878.db2.gz PPLMHQUCRHPXKS-GFCCVEGCSA-N 2 2 282.388 -0.591 20 0 CBADLP CC[N@H+](CC(=O)NCCC[NH+]1CCNC(=O)C1)C1CC1 ZINC000344662876 217267268 /nfs/dbraw/zinc/26/72/68/217267268.db2.gz VMXCUIKFXHAGGS-UHFFFAOYSA-N 2 2 282.388 -0.591 20 0 CBADLP CC[N@@H+](CC(=O)NCCC[NH+]1CCNC(=O)C1)C1CC1 ZINC000344662876 217267271 /nfs/dbraw/zinc/26/72/71/217267271.db2.gz VMXCUIKFXHAGGS-UHFFFAOYSA-N 2 2 282.388 -0.591 20 0 CBADLP CC[NH+](CC(=O)NCCC[N@@H+]1CCNC(=O)C1)C1CC1 ZINC000344662876 217267273 /nfs/dbraw/zinc/26/72/73/217267273.db2.gz VMXCUIKFXHAGGS-UHFFFAOYSA-N 2 2 282.388 -0.591 20 0 CBADLP CC[NH+](CC(=O)NCCC[N@H+]1CCNC(=O)C1)C1CC1 ZINC000344662876 217267275 /nfs/dbraw/zinc/26/72/75/217267275.db2.gz VMXCUIKFXHAGGS-UHFFFAOYSA-N 2 2 282.388 -0.591 20 0 CBADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)CC1(O)CCC1 ZINC000353487550 220111417 /nfs/dbraw/zinc/11/14/17/220111417.db2.gz FANCFWXHWDGMNG-UHFFFAOYSA-N 2 2 255.362 -0.393 20 0 CBADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)CC1(O)CCC1 ZINC000353487550 220111420 /nfs/dbraw/zinc/11/14/20/220111420.db2.gz FANCFWXHWDGMNG-UHFFFAOYSA-N 2 2 255.362 -0.393 20 0 CBADLP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261569825 372907112 /nfs/dbraw/zinc/90/71/12/372907112.db2.gz KBJXHSDUPMOAAL-LPEHRKFASA-N 2 2 254.334 -0.486 20 0 CBADLP CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261569825 372907116 /nfs/dbraw/zinc/90/71/16/372907116.db2.gz KBJXHSDUPMOAAL-LPEHRKFASA-N 2 2 254.334 -0.486 20 0 CBADLP C[C@H](NC(=O)[C@@H]1COCC[NH2+]1)[C@H](C)[NH+]1CCOCC1 ZINC000262664139 372910783 /nfs/dbraw/zinc/91/07/83/372910783.db2.gz IMILQKCQGAAGJD-SRVKXCTJSA-N 2 2 271.361 -0.800 20 0 CBADLP CC[C@@H](C(=O)NCCC[N@@H+]1CCNC(=O)C1)[NH+](C)C ZINC000344720031 217287170 /nfs/dbraw/zinc/28/71/70/217287170.db2.gz YLKIKSWHMBJNIF-NSHDSACASA-N 2 2 270.377 -0.735 20 0 CBADLP CC[C@@H](C(=O)NCCC[N@H+]1CCNC(=O)C1)[NH+](C)C ZINC000344720031 217287172 /nfs/dbraw/zinc/28/71/72/217287172.db2.gz YLKIKSWHMBJNIF-NSHDSACASA-N 2 2 270.377 -0.735 20 0 CBADLP C[N@@H+]1CCC[C@@H]1CNC(=O)NCC[NH+]1CCOCC1 ZINC000338805168 373031908 /nfs/dbraw/zinc/03/19/08/373031908.db2.gz IQDRGSJALNDWSO-GFCCVEGCSA-N 2 2 270.377 -0.288 20 0 CBADLP C[N@H+]1CCC[C@@H]1CNC(=O)NCC[NH+]1CCOCC1 ZINC000338805168 373031920 /nfs/dbraw/zinc/03/19/20/373031920.db2.gz IQDRGSJALNDWSO-GFCCVEGCSA-N 2 2 270.377 -0.288 20 0 CBADLP CN(C)C(=O)CC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000343632478 373055092 /nfs/dbraw/zinc/05/50/92/373055092.db2.gz ANSBGGHMMIWRGO-UHFFFAOYSA-N 2 2 298.431 -0.051 20 0 CBADLP CN(C)C(=O)CC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000343632478 373055099 /nfs/dbraw/zinc/05/50/99/373055099.db2.gz ANSBGGHMMIWRGO-UHFFFAOYSA-N 2 2 298.431 -0.051 20 0 CBADLP C[N@H+](CC(=O)NC[C@H]1C[NH+]2CCN1CC2)[C@@H]1CCSC1 ZINC000344598198 373059033 /nfs/dbraw/zinc/05/90/33/373059033.db2.gz ZPFRLKFFYNMYQU-OLZOCXBDSA-N 2 2 298.456 -0.460 20 0 CBADLP C[N@@H+](CC(=O)NC[C@H]1C[NH+]2CCN1CC2)[C@@H]1CCSC1 ZINC000344598198 373059036 /nfs/dbraw/zinc/05/90/36/373059036.db2.gz ZPFRLKFFYNMYQU-OLZOCXBDSA-N 2 2 298.456 -0.460 20 0 CBADLP [NH3+]CC[N@H+](CCO)CCCN1C(=O)c2ccccc2C1=O ZINC000342397252 373046017 /nfs/dbraw/zinc/04/60/17/373046017.db2.gz GKOBICFEHCMLAM-UHFFFAOYSA-N 2 2 291.351 -0.074 20 0 CBADLP [NH3+]CC[N@@H+](CCO)CCCN1C(=O)c2ccccc2C1=O ZINC000342397252 373046023 /nfs/dbraw/zinc/04/60/23/373046023.db2.gz GKOBICFEHCMLAM-UHFFFAOYSA-N 2 2 291.351 -0.074 20 0 CBADLP C[N@@H+]1CCO[C@H](CNC(=O)N2CC[NH2+]C[C@](C)(F)C2)C1 ZINC000333518328 205396575 /nfs/dbraw/zinc/39/65/75/205396575.db2.gz GJBSHGYOGWRDFV-YPMHNXCESA-N 2 2 288.367 -0.340 20 0 CBADLP C[N@H+]1CCO[C@H](CNC(=O)N2CC[NH2+]C[C@](C)(F)C2)C1 ZINC000333518328 205396580 /nfs/dbraw/zinc/39/65/80/205396580.db2.gz GJBSHGYOGWRDFV-YPMHNXCESA-N 2 2 288.367 -0.340 20 0 CBADLP C[C@H](O)C[N@H+](C[C@@H](O)C[NH+](C)C1CC1)[C@@H](C)CO ZINC000351624159 373097625 /nfs/dbraw/zinc/09/76/25/373097625.db2.gz WPXMJUIROLOTMJ-GVXVVHGQSA-N 2 2 260.378 -0.495 20 0 CBADLP C[C@H](O)C[N@@H+](C[C@@H](O)C[NH+](C)C1CC1)[C@@H](C)CO ZINC000351624159 373097634 /nfs/dbraw/zinc/09/76/34/373097634.db2.gz WPXMJUIROLOTMJ-GVXVVHGQSA-N 2 2 260.378 -0.495 20 0 CBADLP C[C@H](O)C[NH+](C[C@@H](O)C[N@H+](C)C1CC1)[C@@H](C)CO ZINC000351624159 373097640 /nfs/dbraw/zinc/09/76/40/373097640.db2.gz WPXMJUIROLOTMJ-GVXVVHGQSA-N 2 2 260.378 -0.495 20 0 CBADLP C[C@H](O)C[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)[C@@H](C)CO ZINC000351624159 373097650 /nfs/dbraw/zinc/09/76/50/373097650.db2.gz WPXMJUIROLOTMJ-GVXVVHGQSA-N 2 2 260.378 -0.495 20 0 CBADLP CO[C@H](C[NH3+])C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000353514806 373113264 /nfs/dbraw/zinc/11/32/64/373113264.db2.gz LOTODNILGLWQHD-VXGBXAGGSA-N 2 2 271.361 -0.717 20 0 CBADLP CO[C@H](C[NH3+])C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000353441630 373113683 /nfs/dbraw/zinc/11/36/83/373113683.db2.gz ARADTTCKOWHYTK-CHWSQXEVSA-N 2 2 285.388 -0.327 20 0 CBADLP Cc1nc(N2CC[N@@H+]3CCOC[C@H]3C2)nc(N(C)C)[nH+]1 ZINC000347885113 373073469 /nfs/dbraw/zinc/07/34/69/373073469.db2.gz RRGZWQNIXLVWOM-LLVKDONJSA-N 2 2 278.360 -0.233 20 0 CBADLP Cc1nc(N2CC[N@H+]3CCOC[C@H]3C2)nc(N(C)C)[nH+]1 ZINC000347885113 373073473 /nfs/dbraw/zinc/07/34/73/373073473.db2.gz RRGZWQNIXLVWOM-LLVKDONJSA-N 2 2 278.360 -0.233 20 0 CBADLP C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000356901589 373166086 /nfs/dbraw/zinc/16/60/86/373166086.db2.gz MWRFSOKXLPLJRO-UTUOFQBUSA-N 2 2 255.362 -0.132 20 0 CBADLP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000356901589 373166100 /nfs/dbraw/zinc/16/61/00/373166100.db2.gz MWRFSOKXLPLJRO-UTUOFQBUSA-N 2 2 255.362 -0.132 20 0 CBADLP C[C@@H]1[C@@H](C)[NH+](C)CCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000356901589 373166108 /nfs/dbraw/zinc/16/61/08/373166108.db2.gz MWRFSOKXLPLJRO-UTUOFQBUSA-N 2 2 255.362 -0.132 20 0 CBADLP C[C@@H]1[C@@H](C)[NH+](C)CCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000356901589 373166116 /nfs/dbraw/zinc/16/61/16/373166116.db2.gz MWRFSOKXLPLJRO-UTUOFQBUSA-N 2 2 255.362 -0.132 20 0 CBADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3[C@H](C2)OCC[NH+]3C)C1 ZINC000354930713 373119986 /nfs/dbraw/zinc/11/99/86/373119986.db2.gz NGFHECDLXNRPFT-RDBSUJKOSA-N 2 2 297.399 -0.363 20 0 CBADLP CC(C)[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3[C@H](C2)OCC[NH+]3C)C1 ZINC000354930713 373119995 /nfs/dbraw/zinc/11/99/95/373119995.db2.gz NGFHECDLXNRPFT-RDBSUJKOSA-N 2 2 297.399 -0.363 20 0 CBADLP CC(C)[NH+]1CCO[C@H](C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)C1 ZINC000354930713 373120006 /nfs/dbraw/zinc/12/00/06/373120006.db2.gz NGFHECDLXNRPFT-RDBSUJKOSA-N 2 2 297.399 -0.363 20 0 CBADLP CC(C)[NH+]1CCO[C@H](C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)C1 ZINC000354930713 373120013 /nfs/dbraw/zinc/12/00/13/373120013.db2.gz NGFHECDLXNRPFT-RDBSUJKOSA-N 2 2 297.399 -0.363 20 0 CBADLP C[C@@H](CNC(=O)C[NH+](C)C)N(C)C(=O)C[NH+](C)C ZINC000355300810 373124409 /nfs/dbraw/zinc/12/44/09/373124409.db2.gz BVIFBFFNNYYNLS-JTQLQIEISA-N 2 2 258.366 -0.927 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CCC[NH+]1C ZINC000355694969 373149641 /nfs/dbraw/zinc/14/96/41/373149641.db2.gz HCFWHZIFWWQITG-VXGBXAGGSA-N 2 2 255.362 -0.083 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1CCC[NH+]1C ZINC000355694969 373149645 /nfs/dbraw/zinc/14/96/45/373149645.db2.gz HCFWHZIFWWQITG-VXGBXAGGSA-N 2 2 255.362 -0.083 20 0 CBADLP C[C@@H]1COCC[NH+]1CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC000355694969 373149649 /nfs/dbraw/zinc/14/96/49/373149649.db2.gz HCFWHZIFWWQITG-VXGBXAGGSA-N 2 2 255.362 -0.083 20 0 CBADLP C[C@@H]1COCC[NH+]1CCNC(=O)[C@H]1CCC[N@H+]1C ZINC000355694969 373149650 /nfs/dbraw/zinc/14/96/50/373149650.db2.gz HCFWHZIFWWQITG-VXGBXAGGSA-N 2 2 255.362 -0.083 20 0 CBADLP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)[C@@H]([NH3+])CC(N)=O)C1 ZINC000353575458 220166577 /nfs/dbraw/zinc/16/65/77/220166577.db2.gz FMTUUXOVGKJJQM-QWRGUYRKSA-N 2 2 293.371 -0.188 20 0 CBADLP C[NH+]1CCN(CCNC(=O)[C@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000360820111 373237303 /nfs/dbraw/zinc/23/73/03/373237303.db2.gz TXUASOZDSIXDCA-SNVBAGLBSA-N 2 2 276.331 -0.653 20 0 CBADLP CC[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@@H]1CCOC1 ZINC000361594610 373315595 /nfs/dbraw/zinc/31/55/95/373315595.db2.gz KMYNJTIPVAMVFP-GFCCVEGCSA-N 2 2 255.362 -0.129 20 0 CBADLP CC[N@@H+](CC(=O)N1CC[NH+](C)CC1)[C@@H]1CCOC1 ZINC000361594610 373315599 /nfs/dbraw/zinc/31/55/99/373315599.db2.gz KMYNJTIPVAMVFP-GFCCVEGCSA-N 2 2 255.362 -0.129 20 0 CBADLP Cc1[nH+]ccn1CCCNC(=O)[C@H]1COCC[NH2+]1 ZINC000361720066 373330410 /nfs/dbraw/zinc/33/04/10/373330410.db2.gz WSVGKMUCHGTPAZ-LLVKDONJSA-N 2 2 252.318 -0.314 20 0 CBADLP CC(C)NC(=O)C[N@@H+]1CCCN(C(=O)CC[NH3+])CC1 ZINC000361719175 373330707 /nfs/dbraw/zinc/33/07/07/373330707.db2.gz SSXWKCJYOCRNRB-UHFFFAOYSA-N 2 2 270.377 -0.606 20 0 CBADLP CC(C)NC(=O)C[N@H+]1CCCN(C(=O)CC[NH3+])CC1 ZINC000361719175 373330713 /nfs/dbraw/zinc/33/07/13/373330713.db2.gz SSXWKCJYOCRNRB-UHFFFAOYSA-N 2 2 270.377 -0.606 20 0 CBADLP CCO[C@H]1COCC[C@@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000362012874 373358144 /nfs/dbraw/zinc/35/81/44/373358144.db2.gz IAHHMXKKDAFCGI-STQMWFEESA-N 2 2 285.388 -0.456 20 0 CBADLP C[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000362496491 373418314 /nfs/dbraw/zinc/41/83/14/373418314.db2.gz CIWNLOJQPPFSLZ-RYUDHWBXSA-N 2 2 255.362 -0.130 20 0 CBADLP C[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000362496491 373418325 /nfs/dbraw/zinc/41/83/25/373418325.db2.gz CIWNLOJQPPFSLZ-RYUDHWBXSA-N 2 2 255.362 -0.130 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000362539757 373422133 /nfs/dbraw/zinc/42/21/33/373422133.db2.gz HVZXTROQWCXWPO-VXGBXAGGSA-N 2 2 255.362 -0.679 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000362539757 373422146 /nfs/dbraw/zinc/42/21/46/373422146.db2.gz HVZXTROQWCXWPO-VXGBXAGGSA-N 2 2 255.362 -0.679 20 0 CBADLP C[C@H]1CN(Cc2c[nH+]c(N(C)C)n2C)CC[N@@H+]1CCO ZINC000362300153 373389896 /nfs/dbraw/zinc/38/98/96/373389896.db2.gz SZUBXOBEIQDMOH-LBPRGKRZSA-N 2 2 281.404 -0.016 20 0 CBADLP C[C@H]1CN(Cc2c[nH+]c(N(C)C)n2C)CC[N@H+]1CCO ZINC000362300153 373389899 /nfs/dbraw/zinc/38/98/99/373389899.db2.gz SZUBXOBEIQDMOH-LBPRGKRZSA-N 2 2 281.404 -0.016 20 0 CBADLP CC[C@H](C)[C@H](NC(=O)C[N@@H+]1CC[C@H](C[NH3+])C1)C(=O)OC ZINC000050248338 220194762 /nfs/dbraw/zinc/19/47/62/220194762.db2.gz UKAYHRNMTIBZCE-LOWVWBTDSA-N 2 2 285.388 -0.029 20 0 CBADLP CC[C@H](C)[C@H](NC(=O)C[N@H+]1CC[C@H](C[NH3+])C1)C(=O)OC ZINC000050248338 220194766 /nfs/dbraw/zinc/19/47/66/220194766.db2.gz UKAYHRNMTIBZCE-LOWVWBTDSA-N 2 2 285.388 -0.029 20 0 CBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CCn1cc[nH+]c1 ZINC000345021914 217387408 /nfs/dbraw/zinc/38/74/08/217387408.db2.gz WGPYRIZAYGWHNQ-ZDUSSCGKSA-N 2 2 296.371 -0.575 20 0 CBADLP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000362866297 373455422 /nfs/dbraw/zinc/45/54/22/373455422.db2.gz ICOGGJLWYFGGGU-RYUDHWBXSA-N 2 2 296.415 -0.408 20 0 CBADLP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000362866297 373455429 /nfs/dbraw/zinc/45/54/29/373455429.db2.gz ICOGGJLWYFGGGU-RYUDHWBXSA-N 2 2 296.415 -0.408 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1C[C@@H]2OCC[NH+](C)[C@H]2C1 ZINC000362883393 373458889 /nfs/dbraw/zinc/45/88/89/373458889.db2.gz QZLZFOMUPXAISL-VOAKCMCISA-N 2 2 267.373 -0.275 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1C[C@@H]2OCC[NH+](C)[C@H]2C1 ZINC000362883393 373458893 /nfs/dbraw/zinc/45/88/93/373458893.db2.gz QZLZFOMUPXAISL-VOAKCMCISA-N 2 2 267.373 -0.275 20 0 CBADLP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000362883393 373458895 /nfs/dbraw/zinc/45/88/95/373458895.db2.gz QZLZFOMUPXAISL-VOAKCMCISA-N 2 2 267.373 -0.275 20 0 CBADLP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000362883393 373458897 /nfs/dbraw/zinc/45/88/97/373458897.db2.gz QZLZFOMUPXAISL-VOAKCMCISA-N 2 2 267.373 -0.275 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000362947873 373467504 /nfs/dbraw/zinc/46/75/04/373467504.db2.gz DLUDQRNPNGFJLM-HZSPNIEDSA-N 2 2 299.415 -0.664 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000362947873 373467508 /nfs/dbraw/zinc/46/75/08/373467508.db2.gz DLUDQRNPNGFJLM-HZSPNIEDSA-N 2 2 299.415 -0.664 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000362660677 373433088 /nfs/dbraw/zinc/43/30/88/373433088.db2.gz AROJMWDVWSDUEZ-IJLUTSLNSA-N 2 2 255.362 -0.369 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000362660677 373433093 /nfs/dbraw/zinc/43/30/93/373433093.db2.gz AROJMWDVWSDUEZ-IJLUTSLNSA-N 2 2 255.362 -0.369 20 0 CBADLP C[C@@H]1C[NH+](C)C[C@H]1C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000362660677 373433100 /nfs/dbraw/zinc/43/31/00/373433100.db2.gz AROJMWDVWSDUEZ-IJLUTSLNSA-N 2 2 255.362 -0.369 20 0 CBADLP C[C@@H]1C[NH+](C)C[C@H]1C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000362660677 373433105 /nfs/dbraw/zinc/43/31/05/373433105.db2.gz AROJMWDVWSDUEZ-IJLUTSLNSA-N 2 2 255.362 -0.369 20 0 CBADLP CC(C)([NH3+])C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362662037 373433131 /nfs/dbraw/zinc/43/31/31/373433131.db2.gz GVKDCJYGJWANCG-NSHDSACASA-N 3 2 254.378 -0.380 20 0 CBADLP CC(C)([NH3+])C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362662037 373433137 /nfs/dbraw/zinc/43/31/37/373433137.db2.gz GVKDCJYGJWANCG-NSHDSACASA-N 3 2 254.378 -0.380 20 0 CBADLP CCN1C(=O)[C@@H]2C[N@H+](CCn3cc[nH+]c3)CCN2C1=O ZINC000363458743 373491729 /nfs/dbraw/zinc/49/17/29/373491729.db2.gz ARJCCBSYDMQUTN-NSHDSACASA-N 2 2 277.328 -0.149 20 0 CBADLP CCN1C(=O)[C@@H]2C[N@@H+](CCn3cc[nH+]c3)CCN2C1=O ZINC000363458743 373491734 /nfs/dbraw/zinc/49/17/34/373491734.db2.gz ARJCCBSYDMQUTN-NSHDSACASA-N 2 2 277.328 -0.149 20 0 CBADLP CC[N@@H+]1CCO[C@@H](CN2CC[NH+](C[C@H](C)O)CC2)C1 ZINC000363496725 373495826 /nfs/dbraw/zinc/49/58/26/373495826.db2.gz RXYRULFNXSMNET-UONOGXRCSA-N 2 2 271.405 -0.295 20 0 CBADLP CC[N@H+]1CCO[C@@H](CN2CC[NH+](C[C@H](C)O)CC2)C1 ZINC000363496725 373495834 /nfs/dbraw/zinc/49/58/34/373495834.db2.gz RXYRULFNXSMNET-UONOGXRCSA-N 2 2 271.405 -0.295 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000363568106 373498805 /nfs/dbraw/zinc/49/88/05/373498805.db2.gz OFSCDILMTZCWON-CYBMUJFWSA-N 2 2 299.415 -0.066 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000363568106 373498809 /nfs/dbraw/zinc/49/88/09/373498809.db2.gz OFSCDILMTZCWON-CYBMUJFWSA-N 2 2 299.415 -0.066 20 0 CBADLP COC(=O)[C@H]1C[C@H](NC(=O)C2([NH3+])CCCC2)C[NH2+]1 ZINC000365971337 373525030 /nfs/dbraw/zinc/52/50/30/373525030.db2.gz SMEYQSDXAWZQHJ-DTWKUNHWSA-N 2 2 255.318 -0.722 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@H](C)C[S@](C)=O ZINC000398885543 373585206 /nfs/dbraw/zinc/58/52/06/373585206.db2.gz WUZZLXMCLKBVAF-GDLVEWKHSA-N 2 2 250.408 -0.002 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@H](C)C[S@](C)=O ZINC000398885543 373585217 /nfs/dbraw/zinc/58/52/17/373585217.db2.gz WUZZLXMCLKBVAF-GDLVEWKHSA-N 2 2 250.408 -0.002 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@H](C)C[S@](C)=O ZINC000398885543 373585225 /nfs/dbraw/zinc/58/52/25/373585225.db2.gz WUZZLXMCLKBVAF-GDLVEWKHSA-N 2 2 250.408 -0.002 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@H](C)C[S@](C)=O ZINC000398885543 373585233 /nfs/dbraw/zinc/58/52/33/373585233.db2.gz WUZZLXMCLKBVAF-GDLVEWKHSA-N 2 2 250.408 -0.002 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000333737731 205653962 /nfs/dbraw/zinc/65/39/62/205653962.db2.gz XDQUZWDYEOEIMR-GFCCVEGCSA-N 2 2 270.377 -0.288 20 0 CBADLP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000408065329 373598457 /nfs/dbraw/zinc/59/84/57/373598457.db2.gz YMEZZNVQQMXTEO-NEPJUHHUSA-N 2 2 282.388 -0.735 20 0 CBADLP C[C@H]1CN(C(=O)/C=C/c2[nH]cc[nH+]2)CC[N@@H+]1CCO ZINC000493552736 373720130 /nfs/dbraw/zinc/72/01/30/373720130.db2.gz JYCGPLDNYRDBDH-VUDBWIFFSA-N 2 2 264.329 -0.052 20 0 CBADLP C[C@H]1CN(C(=O)/C=C/c2[nH]cc[nH+]2)CC[N@H+]1CCO ZINC000493552736 373720131 /nfs/dbraw/zinc/72/01/31/373720131.db2.gz JYCGPLDNYRDBDH-VUDBWIFFSA-N 2 2 264.329 -0.052 20 0 CBADLP C[C@H]([NH3+])C(=O)N(CC1CC1)C[C@H]1C[N@H+](C)CCO1 ZINC000423881705 373663444 /nfs/dbraw/zinc/66/34/44/373663444.db2.gz WPWOAHMKXLNSFU-CMPLNLGQSA-N 2 2 255.362 -0.097 20 0 CBADLP C[C@H]([NH3+])C(=O)N(CC1CC1)C[C@H]1C[N@@H+](C)CCO1 ZINC000423881705 373663454 /nfs/dbraw/zinc/66/34/54/373663454.db2.gz WPWOAHMKXLNSFU-CMPLNLGQSA-N 2 2 255.362 -0.097 20 0 CBADLP Cc1c(/C=C\C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cnn1C ZINC000493512990 373717518 /nfs/dbraw/zinc/71/75/18/373717518.db2.gz ADQXBYQYLUBZTI-ZFDPJTLLSA-N 2 2 277.372 -0.157 20 0 CBADLP Cc1c(/C=C\C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cnn1C ZINC000493512990 373717527 /nfs/dbraw/zinc/71/75/27/373717527.db2.gz ADQXBYQYLUBZTI-ZFDPJTLLSA-N 2 2 277.372 -0.157 20 0 CBADLP CC1(C)CCC[NH2+][C@H]1CNC(=O)CN1CC[NH2+]CC1=O ZINC000430731643 373673151 /nfs/dbraw/zinc/67/31/51/373673151.db2.gz MOGSQWBNYODRKH-NSHDSACASA-N 2 2 282.388 -0.687 20 0 CBADLP CC(C)[C@H]([NH3+])CC[N@H+](C)CC(=O)N1CCNC(=O)C1 ZINC000430579523 373673699 /nfs/dbraw/zinc/67/36/99/373673699.db2.gz YLJKFMLIWCTOBY-LLVKDONJSA-N 2 2 270.377 -0.750 20 0 CBADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC(=O)N1CCNC(=O)C1 ZINC000430579523 373673707 /nfs/dbraw/zinc/67/37/07/373673707.db2.gz YLJKFMLIWCTOBY-LLVKDONJSA-N 2 2 270.377 -0.750 20 0 CBADLP CNC(=O)NC(=O)CC[N@H+](C1CC1)[C@H]1CC[NH2+]C1 ZINC000435246967 373678316 /nfs/dbraw/zinc/67/83/16/373678316.db2.gz UPIONPWKRFFVHR-JTQLQIEISA-N 2 2 254.334 -0.342 20 0 CBADLP CNC(=O)NC(=O)CC[N@@H+](C1CC1)[C@H]1CC[NH2+]C1 ZINC000435246967 373678320 /nfs/dbraw/zinc/67/83/20/373678320.db2.gz UPIONPWKRFFVHR-JTQLQIEISA-N 2 2 254.334 -0.342 20 0 CBADLP C[C@H]([NH3+])C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000515060622 373774389 /nfs/dbraw/zinc/77/43/89/373774389.db2.gz VZHTXNHXOSTHNZ-NWDGAFQWSA-N 3 2 254.378 -0.523 20 0 CBADLP C[C@H]([NH3+])C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000515060622 373774402 /nfs/dbraw/zinc/77/44/02/373774402.db2.gz VZHTXNHXOSTHNZ-NWDGAFQWSA-N 3 2 254.378 -0.523 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@@H](C)[C@@H](C)[NH3+])CC1 ZINC000493897166 373735078 /nfs/dbraw/zinc/73/50/78/373735078.db2.gz LZRCJVIRBFZQLW-WDEREUQCSA-N 2 2 270.377 -0.750 20 0 CBADLP C[C@H]([NH3+])C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000515060623 373774906 /nfs/dbraw/zinc/77/49/06/373774906.db2.gz VZHTXNHXOSTHNZ-RYUDHWBXSA-N 3 2 254.378 -0.523 20 0 CBADLP C[C@H]([NH3+])C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000515060623 373774912 /nfs/dbraw/zinc/77/49/12/373774912.db2.gz VZHTXNHXOSTHNZ-RYUDHWBXSA-N 3 2 254.378 -0.523 20 0 CBADLP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)C1 ZINC000515057537 373775087 /nfs/dbraw/zinc/77/50/87/373775087.db2.gz GABVCXYMWGKRKO-NWDGAFQWSA-N 2 2 293.371 -0.569 20 0 CBADLP [NH3+][C@H]1C[C@@H]2C[N@@H+](CCOCC(F)(F)F)CCN2C1=O ZINC000515071601 373777158 /nfs/dbraw/zinc/77/71/58/373777158.db2.gz BBSCOHBDIZVHLJ-BDAKNGLRSA-N 2 2 281.278 -0.191 20 0 CBADLP Cn1c[nH+]cc1CCC[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000516191627 373807754 /nfs/dbraw/zinc/80/77/54/373807754.db2.gz SMCVXIZWGFXDFG-NSHDSACASA-N 2 2 277.328 -0.411 20 0 CBADLP Cn1c[nH+]cc1CCC[N@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000516191627 373807759 /nfs/dbraw/zinc/80/77/59/373807759.db2.gz SMCVXIZWGFXDFG-NSHDSACASA-N 2 2 277.328 -0.411 20 0 CBADLP [NH3+][C@H]1C[C@@H]2C[N@H+](CC(=O)NC3CCCCC3)CCN2C1=O ZINC000515500379 373791316 /nfs/dbraw/zinc/79/13/16/373791316.db2.gz LPAKPIIYAOVQAQ-OLZOCXBDSA-N 2 2 294.399 -0.321 20 0 CBADLP [NH3+][C@H]1C[C@@H]2C[N@@H+](CC(=O)NC3CCCCC3)CCN2C1=O ZINC000515500379 373791325 /nfs/dbraw/zinc/79/13/25/373791325.db2.gz LPAKPIIYAOVQAQ-OLZOCXBDSA-N 2 2 294.399 -0.321 20 0 CBADLP COC(=O)CCCCC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000515646321 373793511 /nfs/dbraw/zinc/79/35/11/373793511.db2.gz YXFUHHSKCUDCIN-NSHDSACASA-N 2 2 271.361 -0.179 20 0 CBADLP COC(=O)CCCCC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000515646321 373793518 /nfs/dbraw/zinc/79/35/18/373793518.db2.gz YXFUHHSKCUDCIN-NSHDSACASA-N 2 2 271.361 -0.179 20 0 CBADLP CC1=CC[NH+](CCNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])CC1 ZINC000516025443 373800619 /nfs/dbraw/zinc/80/06/19/373800619.db2.gz FALHNJDEQQLKSX-CQSZACIVSA-N 3 2 295.431 -0.077 20 0 CBADLP CC1=CC[NH+](CCNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])CC1 ZINC000516025443 373800625 /nfs/dbraw/zinc/80/06/25/373800625.db2.gz FALHNJDEQQLKSX-CQSZACIVSA-N 3 2 295.431 -0.077 20 0 CBADLP CC1=CC[N@H+](CCNC(=O)N2CC[NH+](C)C[C@H]2C[NH3+])CC1 ZINC000516025443 373800631 /nfs/dbraw/zinc/80/06/31/373800631.db2.gz FALHNJDEQQLKSX-CQSZACIVSA-N 3 2 295.431 -0.077 20 0 CBADLP CC1=CC[N@@H+](CCNC(=O)N2CC[NH+](C)C[C@H]2C[NH3+])CC1 ZINC000516025443 373800636 /nfs/dbraw/zinc/80/06/36/373800636.db2.gz FALHNJDEQQLKSX-CQSZACIVSA-N 3 2 295.431 -0.077 20 0 CBADLP CC1=CC[NH+](CCNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])CC1 ZINC000516025436 373800710 /nfs/dbraw/zinc/80/07/10/373800710.db2.gz FALHNJDEQQLKSX-AWEZNQCLSA-N 3 2 295.431 -0.077 20 0 CBADLP CC1=CC[NH+](CCNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])CC1 ZINC000516025436 373800715 /nfs/dbraw/zinc/80/07/15/373800715.db2.gz FALHNJDEQQLKSX-AWEZNQCLSA-N 3 2 295.431 -0.077 20 0 CBADLP CC1=CC[N@H+](CCNC(=O)N2CC[NH+](C)C[C@@H]2C[NH3+])CC1 ZINC000516025436 373800723 /nfs/dbraw/zinc/80/07/23/373800723.db2.gz FALHNJDEQQLKSX-AWEZNQCLSA-N 3 2 295.431 -0.077 20 0 CBADLP CC1=CC[N@@H+](CCNC(=O)N2CC[NH+](C)C[C@@H]2C[NH3+])CC1 ZINC000516025436 373800729 /nfs/dbraw/zinc/80/07/29/373800729.db2.gz FALHNJDEQQLKSX-AWEZNQCLSA-N 3 2 295.431 -0.077 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCN1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000521456880 373843749 /nfs/dbraw/zinc/84/37/49/373843749.db2.gz IUMPDYLKMDXALC-AGIUHOORSA-N 2 2 257.378 -0.686 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCN1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000521456880 373843759 /nfs/dbraw/zinc/84/37/59/373843759.db2.gz IUMPDYLKMDXALC-AGIUHOORSA-N 2 2 257.378 -0.686 20 0 CBADLP NC(=O)Cn1cc(C[N@@H+]2CCCC[C@H]2CC[NH3+])nn1 ZINC000521874692 373851919 /nfs/dbraw/zinc/85/19/19/373851919.db2.gz AYXCIXNEWIXISG-NSHDSACASA-N 2 2 266.349 -0.533 20 0 CBADLP NC(=O)Cn1cc(C[N@H+]2CCCC[C@H]2CC[NH3+])nn1 ZINC000521874692 373851927 /nfs/dbraw/zinc/85/19/27/373851927.db2.gz AYXCIXNEWIXISG-NSHDSACASA-N 2 2 266.349 -0.533 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)Cn2cc[nH+]c2)CCO1 ZINC000521948874 373854449 /nfs/dbraw/zinc/85/44/49/373854449.db2.gz DJRAIENPHHLUJD-LLVKDONJSA-N 2 2 252.318 -0.280 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)Cn2cc[nH+]c2)CCO1 ZINC000521948874 373854451 /nfs/dbraw/zinc/85/44/51/373854451.db2.gz DJRAIENPHHLUJD-LLVKDONJSA-N 2 2 252.318 -0.280 20 0 CBADLP CC[C@H]([NH3+])CNC(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000522000339 373855299 /nfs/dbraw/zinc/85/52/99/373855299.db2.gz ORKDSWLTIGMXBV-JTQLQIEISA-N 2 2 258.366 -0.704 20 0 CBADLP CC[C@H]([NH3+])CNC(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000522000339 373855309 /nfs/dbraw/zinc/85/53/09/373855309.db2.gz ORKDSWLTIGMXBV-JTQLQIEISA-N 2 2 258.366 -0.704 20 0 CBADLP C[N@@H+]1CCN(C(=O)CC(=O)NCC(F)(F)F)[C@H](C[NH3+])C1 ZINC000522001565 373856743 /nfs/dbraw/zinc/85/67/43/373856743.db2.gz ZYBOOICUIOVBLU-MRVPVSSYSA-N 2 2 296.293 -0.844 20 0 CBADLP C[N@H+]1CCN(C(=O)CC(=O)NCC(F)(F)F)[C@H](C[NH3+])C1 ZINC000522001565 373856751 /nfs/dbraw/zinc/85/67/51/373856751.db2.gz ZYBOOICUIOVBLU-MRVPVSSYSA-N 2 2 296.293 -0.844 20 0 CBADLP CC(C)N1CCC[C@H]([N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C1=O ZINC000574465345 335022326 /nfs/dbraw/zinc/02/23/26/335022326.db2.gz KZHPQDSHKLMXEE-AGIUHOORSA-N 2 2 294.399 -0.370 20 0 CBADLP CC(C)N1CCC[C@H]([N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C1=O ZINC000574465345 335022327 /nfs/dbraw/zinc/02/23/27/335022327.db2.gz KZHPQDSHKLMXEE-AGIUHOORSA-N 2 2 294.399 -0.370 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H](C)[NH+](CCO)C[C@@H]2C)O1 ZINC000527559584 373933017 /nfs/dbraw/zinc/93/30/17/373933017.db2.gz UCKAKJHNEVQTPW-IGQOVBAYSA-N 2 2 299.415 -0.381 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H](C)[NH+](CCO)C[C@@H]2C)O1 ZINC000527559584 373933022 /nfs/dbraw/zinc/93/30/22/373933022.db2.gz UCKAKJHNEVQTPW-IGQOVBAYSA-N 2 2 299.415 -0.381 20 0 CBADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H](C)[N@H+](CCO)C[C@@H]2C)O1 ZINC000527559584 373933028 /nfs/dbraw/zinc/93/30/28/373933028.db2.gz UCKAKJHNEVQTPW-IGQOVBAYSA-N 2 2 299.415 -0.381 20 0 CBADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)O1 ZINC000527559584 373933034 /nfs/dbraw/zinc/93/30/34/373933034.db2.gz UCKAKJHNEVQTPW-IGQOVBAYSA-N 2 2 299.415 -0.381 20 0 CBADLP Cn1nncc1C[NH2+]CC(=O)NCC[NH+]1CCCCCC1 ZINC000353666996 220240559 /nfs/dbraw/zinc/24/05/59/220240559.db2.gz BFNKRJZHJKQKQS-UHFFFAOYSA-N 2 2 294.403 -0.103 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000529257858 373997580 /nfs/dbraw/zinc/99/75/80/373997580.db2.gz AMEWIUVABPIQNP-LBPRGKRZSA-N 2 2 282.344 -0.999 20 0 CBADLP CCn1cc[nH+]c1CNC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000529326808 374002546 /nfs/dbraw/zinc/00/25/46/374002546.db2.gz PAYTVWLFHOYRHS-SNVBAGLBSA-N 2 2 267.333 -0.309 20 0 CBADLP C[N@@H+]1CCN(C(=O)NCCc2cncnc2)[C@H](C[NH3+])C1 ZINC000529373986 374015709 /nfs/dbraw/zinc/01/57/09/374015709.db2.gz VEWCRBQYDOCMRD-GFCCVEGCSA-N 2 2 278.360 -0.697 20 0 CBADLP C[N@H+]1CCN(C(=O)NCCc2cncnc2)[C@H](C[NH3+])C1 ZINC000529373986 374015712 /nfs/dbraw/zinc/01/57/12/374015712.db2.gz VEWCRBQYDOCMRD-GFCCVEGCSA-N 2 2 278.360 -0.697 20 0 CBADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000529376250 374016818 /nfs/dbraw/zinc/01/68/18/374016818.db2.gz MLNUDOFEYYCXOB-VXGBXAGGSA-N 2 2 293.371 -0.093 20 0 CBADLP CNC(=O)NC[C@@H]1C[N@H+](CCCn2cc[nH+]c2)CCO1 ZINC000528623394 373966477 /nfs/dbraw/zinc/96/64/77/373966477.db2.gz KLUKKCWOBSDLCA-GFCCVEGCSA-N 2 2 281.360 -0.097 20 0 CBADLP CNC(=O)NC[C@@H]1C[N@@H+](CCCn2cc[nH+]c2)CCO1 ZINC000528623394 373966480 /nfs/dbraw/zinc/96/64/80/373966480.db2.gz KLUKKCWOBSDLCA-GFCCVEGCSA-N 2 2 281.360 -0.097 20 0 CBADLP Cn1cc(C[NH2+]CC(=O)NCC[NH+]2CCCCCC2)nn1 ZINC000353677079 220249771 /nfs/dbraw/zinc/24/97/71/220249771.db2.gz YKLTVKHPQUQRBI-UHFFFAOYSA-N 2 2 294.403 -0.103 20 0 CBADLP Cn1cc(C[NH2+][C@H]2CC[NH2+]C23CCC3)c(=O)n(C)c1=O ZINC000530177638 374064181 /nfs/dbraw/zinc/06/41/81/374064181.db2.gz LKYAKOVDAUIUOJ-NSHDSACASA-N 2 2 278.356 -0.542 20 0 CBADLP Cn1nnnc1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530242423 374069193 /nfs/dbraw/zinc/06/91/93/374069193.db2.gz USFJAMPVCHQCCB-GFCCVEGCSA-N 2 2 280.376 -0.199 20 0 CBADLP CNC(=O)C[NH+]1CCC(NC(=O)NCC[NH+]2CCC2)CC1 ZINC000532787025 374175645 /nfs/dbraw/zinc/17/56/45/374175645.db2.gz IVWOPNVTNBQWRZ-UHFFFAOYSA-N 2 2 297.403 -0.798 20 0 CBADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000551842991 374246785 /nfs/dbraw/zinc/24/67/85/374246785.db2.gz RWJFNVNENFTGJW-OLZOCXBDSA-N 2 2 268.405 -0.310 20 0 CBADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000551842991 374246790 /nfs/dbraw/zinc/24/67/90/374246790.db2.gz RWJFNVNENFTGJW-OLZOCXBDSA-N 2 2 268.405 -0.310 20 0 CBADLP C[C@@H]1CCNC(=O)[C@@H]1[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000554946414 374284821 /nfs/dbraw/zinc/28/48/21/374284821.db2.gz JDWJDBGZQYKUKM-ADEWGFFLSA-N 2 2 255.362 -0.444 20 0 CBADLP C[C@@H]1CCNC(=O)[C@@H]1[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000554946414 374284834 /nfs/dbraw/zinc/28/48/34/374284834.db2.gz JDWJDBGZQYKUKM-ADEWGFFLSA-N 2 2 255.362 -0.444 20 0 CBADLP C[C@H](CNC(=O)CC1(C[NH3+])CC1)[NH+]1CCN(C)CC1 ZINC000577846011 374341061 /nfs/dbraw/zinc/34/10/61/374341061.db2.gz SSSMJMQPODDICB-GFCCVEGCSA-N 2 2 268.405 -0.133 20 0 CBADLP C[C@H](C(=O)N1CC[NH2+]C[C@](C)(F)C1)N1CC[NH+](C)CC1 ZINC000577872660 374342588 /nfs/dbraw/zinc/34/25/88/374342588.db2.gz VZFIRFQWYYSFAP-OCCSQVGLSA-N 2 2 286.395 -0.218 20 0 CBADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])[C@H](C[NH3+])C1 ZINC000583311918 374361000 /nfs/dbraw/zinc/36/10/00/374361000.db2.gz HPZSDJCLNMAQGJ-YNEHKIRRSA-N 3 2 283.420 -0.212 20 0 CBADLP C[N@H+]1CCN(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])[C@H](C[NH3+])C1 ZINC000583311918 374361007 /nfs/dbraw/zinc/36/10/07/374361007.db2.gz HPZSDJCLNMAQGJ-YNEHKIRRSA-N 3 2 283.420 -0.212 20 0 CBADLP NC(=O)NC(=O)CC[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000583752832 374366153 /nfs/dbraw/zinc/36/61/53/374366153.db2.gz DLAOIQJHQQYOLY-SNVBAGLBSA-N 2 2 272.349 -0.992 20 0 CBADLP NC(=O)NC(=O)CC[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000583752832 374366160 /nfs/dbraw/zinc/36/61/60/374366160.db2.gz DLAOIQJHQQYOLY-SNVBAGLBSA-N 2 2 272.349 -0.992 20 0 CBADLP CN(C)c1ncc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cn1 ZINC000583764172 374367031 /nfs/dbraw/zinc/36/70/31/374367031.db2.gz ZFRRJUPOILKRMH-VXGBXAGGSA-N 2 2 290.371 -0.714 20 0 CBADLP CN(C)c1ncc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cn1 ZINC000583764172 374367038 /nfs/dbraw/zinc/36/70/38/374367038.db2.gz ZFRRJUPOILKRMH-VXGBXAGGSA-N 2 2 290.371 -0.714 20 0 CBADLP C[N@H+](C[C@H](O)C[NH+]1CCC[C@H](N2CCNC2=O)C1)C1CC1 ZINC000583840982 374369187 /nfs/dbraw/zinc/36/91/87/374369187.db2.gz WYBNAMFHINRQFV-KBPBESRZSA-N 2 2 296.415 -0.069 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@H](N2CCNC2=O)C1)C1CC1 ZINC000583840982 374369195 /nfs/dbraw/zinc/36/91/95/374369195.db2.gz WYBNAMFHINRQFV-KBPBESRZSA-N 2 2 296.415 -0.069 20 0 CBADLP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@H](N2CCNC2=O)C1)C1CC1 ZINC000583840982 374369205 /nfs/dbraw/zinc/36/92/05/374369205.db2.gz WYBNAMFHINRQFV-KBPBESRZSA-N 2 2 296.415 -0.069 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@H](CC[NH3+])C(F)F ZINC000584469304 374373456 /nfs/dbraw/zinc/37/34/56/374373456.db2.gz XHPNJOUZROGJPE-SECBINFHSA-N 2 2 294.346 -0.459 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@H](CC[NH3+])C(F)F ZINC000584469304 374373466 /nfs/dbraw/zinc/37/34/66/374373466.db2.gz XHPNJOUZROGJPE-SECBINFHSA-N 2 2 294.346 -0.459 20 0 CBADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@](O)(CC(N)=O)C1 ZINC000643807809 374435263 /nfs/dbraw/zinc/43/52/63/374435263.db2.gz BFBAJKQVYIEANW-ZDUSSCGKSA-N 2 2 266.345 -0.335 20 0 CBADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@](O)(CC(N)=O)C1 ZINC000643807809 374435267 /nfs/dbraw/zinc/43/52/67/374435267.db2.gz BFBAJKQVYIEANW-ZDUSSCGKSA-N 2 2 266.345 -0.335 20 0 CBADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]Cc2ccnn2C)C[C@@H](C)O1 ZINC000644519078 374589314 /nfs/dbraw/zinc/58/93/14/374589314.db2.gz OVTYUYKRQVTLOK-YRGRVCCFSA-N 2 2 282.388 -0.020 20 0 CBADLP CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)C1 ZINC000644543909 374592988 /nfs/dbraw/zinc/59/29/88/374592988.db2.gz SZTRKUBLRURAEF-LPEHRKFASA-N 2 2 277.315 -0.276 20 0 CBADLP COC[C@H](C[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1)OC ZINC000644618977 374602401 /nfs/dbraw/zinc/60/24/01/374602401.db2.gz HNXYUHGCMHFYDL-CRWXNKLISA-N 2 2 290.404 -0.293 20 0 CBADLP COC[C@H](C[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)OC ZINC000644618977 374602406 /nfs/dbraw/zinc/60/24/06/374602406.db2.gz HNXYUHGCMHFYDL-CRWXNKLISA-N 2 2 290.404 -0.293 20 0 CBADLP COC[C@@](C)(CO)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000644902103 374631852 /nfs/dbraw/zinc/63/18/52/374631852.db2.gz HYGIDFLEUZWKCY-GFCCVEGCSA-N 2 2 256.350 -0.027 20 0 CBADLP CN(C)c1[nH+]cc(C[N@H+]2C[C@H](O)C[C@H](O)C2)n1C ZINC000644902373 374631957 /nfs/dbraw/zinc/63/19/57/374631957.db2.gz BNCBFPJFSMIODM-PHIMTYICSA-N 2 2 254.334 -0.586 20 0 CBADLP CN(C)c1[nH+]cc(C[N@@H+]2C[C@H](O)C[C@H](O)C2)n1C ZINC000644902373 374631960 /nfs/dbraw/zinc/63/19/60/374631960.db2.gz BNCBFPJFSMIODM-PHIMTYICSA-N 2 2 254.334 -0.586 20 0 CBADLP CN(C)C(=O)C[NH+]1CCN(C(=O)CC2(C[NH3+])CC2)CC1 ZINC000645211548 374649387 /nfs/dbraw/zinc/64/93/87/374649387.db2.gz MJYYXJJXHTWLII-UHFFFAOYSA-N 2 2 282.388 -0.652 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)N[C@H](CO)C[NH+](C)C ZINC000646208895 374755160 /nfs/dbraw/zinc/75/51/60/374755160.db2.gz NKMDDHKNDOYOSP-JTQLQIEISA-N 2 2 254.334 -0.609 20 0 CBADLP C[NH+](C)C[C@@H](CO)NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000646212091 374758087 /nfs/dbraw/zinc/75/80/87/374758087.db2.gz OPPNUSGVSVWXEW-GXTWGEPZSA-N 2 2 299.415 -0.332 20 0 CBADLP C[NH+](C)C[C@@H](CO)NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000646212091 374758092 /nfs/dbraw/zinc/75/80/92/374758092.db2.gz OPPNUSGVSVWXEW-GXTWGEPZSA-N 2 2 299.415 -0.332 20 0 CBADLP COCC1(C(=O)N(C)CC[NH+]2CCOCC2)CC[NH2+]CC1 ZINC000645887069 374711211 /nfs/dbraw/zinc/71/12/11/374711211.db2.gz QTPROKFGXKHGJL-UHFFFAOYSA-N 2 2 299.415 -0.207 20 0 CBADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000645947224 374717153 /nfs/dbraw/zinc/71/71/53/374717153.db2.gz FAPZTPBCABNLAV-UPJWGTAASA-N 2 2 268.405 -0.264 20 0 CBADLP C[C@@H](C[NH3+])C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000645978123 374720903 /nfs/dbraw/zinc/72/09/03/374720903.db2.gz SNOMYCKMLFPCEN-RYUDHWBXSA-N 3 2 268.405 -0.134 20 0 CBADLP C[C@@H](C[NH3+])C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000645978123 374720906 /nfs/dbraw/zinc/72/09/06/374720906.db2.gz SNOMYCKMLFPCEN-RYUDHWBXSA-N 3 2 268.405 -0.134 20 0 CBADLP C[NH2+]CCC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000645977495 374721108 /nfs/dbraw/zinc/72/11/08/374721108.db2.gz CYUQIMADFFRENG-LBPRGKRZSA-N 3 2 268.405 -0.119 20 0 CBADLP C[NH2+]CCC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000645977495 374721110 /nfs/dbraw/zinc/72/11/10/374721110.db2.gz CYUQIMADFFRENG-LBPRGKRZSA-N 3 2 268.405 -0.119 20 0 CBADLP [NH3+]CCOCC(=O)NCCCNc1cccc[nH+]1 ZINC000645987176 374723200 /nfs/dbraw/zinc/72/32/00/374723200.db2.gz QAFVEAOUJYKDFT-UHFFFAOYSA-N 2 2 252.318 -0.025 20 0 CBADLP COCCCNC(=O)C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103424 374740308 /nfs/dbraw/zinc/74/03/08/374740308.db2.gz RLULCVUIZQCZBJ-UHFFFAOYSA-N 2 2 299.415 -0.064 20 0 CBADLP COCCCNC(=O)C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103424 374740310 /nfs/dbraw/zinc/74/03/10/374740310.db2.gz RLULCVUIZQCZBJ-UHFFFAOYSA-N 2 2 299.415 -0.064 20 0 CBADLP C[N@@H+]1CCN(C(=O)[C@H]2C[NH2+]Cc3ccccc32)[C@@H](C[NH3+])C1 ZINC000646835441 374821571 /nfs/dbraw/zinc/82/15/71/374821571.db2.gz CSCALOWXYVFNKC-ZFWWWQNUSA-N 3 2 288.395 -0.025 20 0 CBADLP C[N@H+]1CCN(C(=O)[C@H]2C[NH2+]Cc3ccccc32)[C@@H](C[NH3+])C1 ZINC000646835441 374821575 /nfs/dbraw/zinc/82/15/75/374821575.db2.gz CSCALOWXYVFNKC-ZFWWWQNUSA-N 3 2 288.395 -0.025 20 0 CBADLP C[N@@H+]1CCN(C(=O)[C@@H]2C[NH2+]Cc3ccccc32)[C@@H](C[NH3+])C1 ZINC000646835438 374822433 /nfs/dbraw/zinc/82/24/33/374822433.db2.gz CSCALOWXYVFNKC-DZGCQCFKSA-N 3 2 288.395 -0.025 20 0 CBADLP C[N@H+]1CCN(C(=O)[C@@H]2C[NH2+]Cc3ccccc32)[C@@H](C[NH3+])C1 ZINC000646835438 374822441 /nfs/dbraw/zinc/82/24/41/374822441.db2.gz CSCALOWXYVFNKC-DZGCQCFKSA-N 3 2 288.395 -0.025 20 0 CBADLP CC(C)CN1C[C@@H](C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])CC1=O ZINC000646836361 374823859 /nfs/dbraw/zinc/82/38/59/374823859.db2.gz VIGDLTIIPKKIFG-STQMWFEESA-N 2 2 296.415 -0.408 20 0 CBADLP CC(C)CN1C[C@@H](C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])CC1=O ZINC000646836361 374823866 /nfs/dbraw/zinc/82/38/66/374823866.db2.gz VIGDLTIIPKKIFG-STQMWFEESA-N 2 2 296.415 -0.408 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000646340096 374770933 /nfs/dbraw/zinc/77/09/33/374770933.db2.gz BEPYQNKQEYKKCG-STQMWFEESA-N 2 2 296.415 -0.347 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000646340096 374770938 /nfs/dbraw/zinc/77/09/38/374770938.db2.gz BEPYQNKQEYKKCG-STQMWFEESA-N 2 2 296.415 -0.347 20 0 CBADLP C[C@H]1CN(C(=O)c2cc([C@@H]3CC[NH2+]C3)[nH]n2)CC[NH2+]1 ZINC000646332396 374771315 /nfs/dbraw/zinc/77/13/15/374771315.db2.gz UFNDNFGQDACWTM-VHSXEESVSA-N 2 2 263.345 -0.080 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@@H]2[NH2+]CC2(C)C)CC1 ZINC000646408831 374776146 /nfs/dbraw/zinc/77/61/46/374776146.db2.gz LVZHXXZUESLMKC-LBPRGKRZSA-N 2 2 282.388 -0.735 20 0 CBADLP COCC[NH2+]CC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000646481810 374783366 /nfs/dbraw/zinc/78/33/66/374783366.db2.gz QNMBWAQRYUPAQG-UHFFFAOYSA-N 2 2 293.371 -0.330 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)NCC1CC[NH+](C2CC2)CC1 ZINC000646555132 374785505 /nfs/dbraw/zinc/78/55/05/374785505.db2.gz LWRGGHLVQLSNIY-UHFFFAOYSA-N 2 2 294.399 -0.591 20 0 CBADLP O=C(NCC1C[NH2+]C1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000646902404 374835457 /nfs/dbraw/zinc/83/54/57/374835457.db2.gz CZLSWJJGGSKGEA-CYBMUJFWSA-N 2 2 267.373 -0.035 20 0 CBADLP O=C(NCC1C[NH2+]C1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000646902404 374835462 /nfs/dbraw/zinc/83/54/62/374835462.db2.gz CZLSWJJGGSKGEA-CYBMUJFWSA-N 2 2 267.373 -0.035 20 0 CBADLP C[C@H](CNC[C@@H](O)C[NH+]1CCN(C)CC1)[N@H+](C)C1CC1 ZINC000574632495 335035167 /nfs/dbraw/zinc/03/51/67/335035167.db2.gz XGYWUQXQSVTTRT-UKRRQHHQSA-N 2 2 284.448 -0.333 20 0 CBADLP C[C@H](CNC[C@@H](O)C[NH+]1CCN(C)CC1)[N@@H+](C)C1CC1 ZINC000574632495 335035168 /nfs/dbraw/zinc/03/51/68/335035168.db2.gz XGYWUQXQSVTTRT-UKRRQHHQSA-N 2 2 284.448 -0.333 20 0 CBADLP O=C(NCC[N@@H+]1CCc2sccc2C1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000262361265 190053294 /nfs/dbraw/zinc/05/32/94/190053294.db2.gz IPJYTUPHMSWWKQ-NEPJUHHUSA-N 2 2 295.408 -0.055 20 0 CBADLP O=C(NCC[N@H+]1CCc2sccc2C1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000262361265 190053295 /nfs/dbraw/zinc/05/32/95/190053295.db2.gz IPJYTUPHMSWWKQ-NEPJUHHUSA-N 2 2 295.408 -0.055 20 0 CBADLP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)CCn1cc[nH+]c1 ZINC000264555381 190118366 /nfs/dbraw/zinc/11/83/66/190118366.db2.gz POXJWYGNRFRSQB-LBPRGKRZSA-N 2 2 293.371 -0.271 20 0 CBADLP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)CCn1cc[nH+]c1 ZINC000264555381 190118367 /nfs/dbraw/zinc/11/83/67/190118367.db2.gz POXJWYGNRFRSQB-LBPRGKRZSA-N 2 2 293.371 -0.271 20 0 CBADLP [NH3+]CCOCC[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000357066912 248315701 /nfs/dbraw/zinc/31/57/01/248315701.db2.gz CYVHBKVXRCJJKL-UHFFFAOYSA-N 2 2 284.404 -0.798 20 0 CBADLP CCOCCNC(=O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357070186 248319720 /nfs/dbraw/zinc/31/97/20/248319720.db2.gz AFPIHRVQIBYPKA-NEPJUHHUSA-N 2 2 255.362 -0.320 20 0 CBADLP CCOCCNC(=O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357070186 248319726 /nfs/dbraw/zinc/31/97/26/248319726.db2.gz AFPIHRVQIBYPKA-NEPJUHHUSA-N 2 2 255.362 -0.320 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](CCO)[C@H](C)C2)C1 ZINC000356533294 248265642 /nfs/dbraw/zinc/26/56/42/248265642.db2.gz XGGZNUFABYRTEF-CHWSQXEVSA-N 2 2 285.388 -0.768 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](CCO)[C@H](C)C2)C1 ZINC000356533294 248265647 /nfs/dbraw/zinc/26/56/47/248265647.db2.gz XGGZNUFABYRTEF-CHWSQXEVSA-N 2 2 285.388 -0.768 20 0 CBADLP CC[NH+]1CCO[C@@H](C(=O)N2CC[N@H+](CCO)[C@H](C)C2)C1 ZINC000356533294 248265652 /nfs/dbraw/zinc/26/56/52/248265652.db2.gz XGGZNUFABYRTEF-CHWSQXEVSA-N 2 2 285.388 -0.768 20 0 CBADLP CC[NH+]1CCO[C@@H](C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)C1 ZINC000356533294 248265657 /nfs/dbraw/zinc/26/56/57/248265657.db2.gz XGGZNUFABYRTEF-CHWSQXEVSA-N 2 2 285.388 -0.768 20 0 CBADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](CCO)[C@H](C)C2)C1 ZINC000356530517 248265700 /nfs/dbraw/zinc/26/57/00/248265700.db2.gz PZQITRQQUMBJDU-ZIAGYGMSSA-N 2 2 299.415 -0.379 20 0 CBADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](CCO)[C@H](C)C2)C1 ZINC000356530517 248265704 /nfs/dbraw/zinc/26/57/04/248265704.db2.gz PZQITRQQUMBJDU-ZIAGYGMSSA-N 2 2 299.415 -0.379 20 0 CBADLP CC(C)[NH+]1CCO[C@@H](C(=O)N2CC[N@H+](CCO)[C@H](C)C2)C1 ZINC000356530517 248265709 /nfs/dbraw/zinc/26/57/09/248265709.db2.gz PZQITRQQUMBJDU-ZIAGYGMSSA-N 2 2 299.415 -0.379 20 0 CBADLP CC(C)[NH+]1CCO[C@@H](C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)C1 ZINC000356530517 248265715 /nfs/dbraw/zinc/26/57/15/248265715.db2.gz PZQITRQQUMBJDU-ZIAGYGMSSA-N 2 2 299.415 -0.379 20 0 CBADLP O=C(C[C@@H]1COCC[NH2+]1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000357221743 248334645 /nfs/dbraw/zinc/33/46/45/248334645.db2.gz CXZGEDZKUVUJQH-GFCCVEGCSA-N 2 2 293.371 -0.568 20 0 CBADLP NC(=O)NC(=O)CCC[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000358447813 248487976 /nfs/dbraw/zinc/48/79/76/248487976.db2.gz KVUGLEOJTSBJEU-UHFFFAOYSA-N 2 2 294.359 -0.498 20 0 CBADLP CCC[C@H]1C[NH2+]CCN1C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653129000 412885554 /nfs/dbraw/zinc/88/55/54/412885554.db2.gz JFUMYPXVIYVCOQ-NWDGAFQWSA-N 3 2 256.394 -0.134 20 0 CBADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)[C@@H]2COC[C@H]2O)CC1 ZINC000574710426 335041967 /nfs/dbraw/zinc/04/19/67/335041967.db2.gz NWORJSQMARAELP-ZIAGYGMSSA-N 2 2 299.415 -0.333 20 0 CBADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@H]2COC[C@H]2O)CC1 ZINC000574710426 335041968 /nfs/dbraw/zinc/04/19/68/335041968.db2.gz NWORJSQMARAELP-ZIAGYGMSSA-N 2 2 299.415 -0.333 20 0 CBADLP COCCNC(=O)CN1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000346843676 218033868 /nfs/dbraw/zinc/03/38/68/218033868.db2.gz JGKCDXRFTMCYEC-CQSZACIVSA-N 2 2 298.431 -0.634 20 0 CBADLP CCNC(=O)CN1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000346814400 218023182 /nfs/dbraw/zinc/02/31/82/218023182.db2.gz BDNPCRJOFPUUSC-ZDUSSCGKSA-N 2 2 268.405 -0.260 20 0 CBADLP CCNC(=O)C[NH+]1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000346814400 218023184 /nfs/dbraw/zinc/02/31/84/218023184.db2.gz BDNPCRJOFPUUSC-ZDUSSCGKSA-N 2 2 268.405 -0.260 20 0 CBADLP CCNS(=O)(=O)[C@H]1CC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000346986094 218080160 /nfs/dbraw/zinc/08/01/60/218080160.db2.gz RQPNTXDUZCTRSP-RYUDHWBXSA-N 2 2 275.418 0.000 20 0 CBADLP CCNS(=O)(=O)[C@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000346986094 218080162 /nfs/dbraw/zinc/08/01/62/218080162.db2.gz RQPNTXDUZCTRSP-RYUDHWBXSA-N 2 2 275.418 0.000 20 0 CBADLP CC(C)(C(N)=O)[NH+]1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000346988448 218081175 /nfs/dbraw/zinc/08/11/75/218081175.db2.gz RAAXRPSEYCLDCP-GFCCVEGCSA-N 2 2 268.405 -0.133 20 0 CBADLP CC(C)(C(N)=O)N1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000346988448 218081177 /nfs/dbraw/zinc/08/11/77/218081177.db2.gz RAAXRPSEYCLDCP-GFCCVEGCSA-N 2 2 268.405 -0.133 20 0 CBADLP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1cc(C(N)=O)cs1 ZINC000347168308 218143516 /nfs/dbraw/zinc/14/35/16/218143516.db2.gz MKKWKDLBGKFXRA-UHFFFAOYSA-N 2 2 296.396 -0.289 20 0 CBADLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1cc(C(N)=O)cs1 ZINC000347168308 218143518 /nfs/dbraw/zinc/14/35/18/218143518.db2.gz MKKWKDLBGKFXRA-UHFFFAOYSA-N 2 2 296.396 -0.289 20 0 CBADLP C[C@@H](CNC(=O)C1CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000347463338 218243500 /nfs/dbraw/zinc/24/35/00/218243500.db2.gz YZVPGLHWSWYYAB-NSHDSACASA-N 2 2 255.362 -0.177 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NCC[NH+](C)C1CC1 ZINC000347568582 218277114 /nfs/dbraw/zinc/27/71/14/218277114.db2.gz OAWNOKSOWBMLRA-UHFFFAOYSA-N 2 2 284.404 -0.347 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NCC[NH+](C)C1CC1 ZINC000347568582 218277115 /nfs/dbraw/zinc/27/71/15/218277115.db2.gz OAWNOKSOWBMLRA-UHFFFAOYSA-N 2 2 284.404 -0.347 20 0 CBADLP CC(C)NC(=O)C[NH+](C)CC(=O)NCC[N@H+](C)C1CC1 ZINC000347568582 218277117 /nfs/dbraw/zinc/27/71/17/218277117.db2.gz OAWNOKSOWBMLRA-UHFFFAOYSA-N 2 2 284.404 -0.347 20 0 CBADLP CC(C)NC(=O)C[NH+](C)CC(=O)NCC[N@@H+](C)C1CC1 ZINC000347568582 218277119 /nfs/dbraw/zinc/27/71/19/218277119.db2.gz OAWNOKSOWBMLRA-UHFFFAOYSA-N 2 2 284.404 -0.347 20 0 CBADLP [NH3+]CC(=O)NCC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000347614515 218292332 /nfs/dbraw/zinc/29/23/32/218292332.db2.gz PREQEDVJIWAIND-UHFFFAOYSA-N 2 2 291.355 -0.627 20 0 CBADLP CC(C)Cn1cc[nH+]c1CNC(=O)CNC(=O)C[NH3+] ZINC000347687055 218323144 /nfs/dbraw/zinc/32/31/44/218323144.db2.gz ILLIIFJNEBPAGQ-UHFFFAOYSA-N 2 2 267.333 -0.770 20 0 CBADLP CC[N@H+](CCO)CCNC(=O)c1cc(C[NH+](C)C)on1 ZINC000347807000 218363582 /nfs/dbraw/zinc/36/35/82/218363582.db2.gz MZCBSDYLBSYXSR-UHFFFAOYSA-N 2 2 284.360 -0.220 20 0 CBADLP CC[N@@H+](CCO)CCNC(=O)c1cc(C[NH+](C)C)on1 ZINC000347807000 218363584 /nfs/dbraw/zinc/36/35/84/218363584.db2.gz MZCBSDYLBSYXSR-UHFFFAOYSA-N 2 2 284.360 -0.220 20 0 CBADLP CN(C)c1[nH+]cc(CNC(=O)N2CC[NH+](C)CC2)n1C ZINC000267625065 190342331 /nfs/dbraw/zinc/34/23/31/190342331.db2.gz OYKFGMRHNYGWSE-UHFFFAOYSA-N 2 2 280.376 -0.057 20 0 CBADLP Cc1nc(N2CC[N@@H+]3CCOC[C@@H]3C2)nc(N(C)C)[nH+]1 ZINC000347885114 218390576 /nfs/dbraw/zinc/39/05/76/218390576.db2.gz RRGZWQNIXLVWOM-NSHDSACASA-N 2 2 278.360 -0.233 20 0 CBADLP Cc1nc(N2CC[N@H+]3CCOC[C@@H]3C2)nc(N(C)C)[nH+]1 ZINC000347885114 218390579 /nfs/dbraw/zinc/39/05/79/218390579.db2.gz RRGZWQNIXLVWOM-NSHDSACASA-N 2 2 278.360 -0.233 20 0 CBADLP O=C(NCC[NH+]1CCOCC1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000279100480 194283274 /nfs/dbraw/zinc/28/32/74/194283274.db2.gz XEOUFWJRYHEBLG-NSHDSACASA-N 2 2 293.371 -0.451 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@H](C)[NH2+]C2CC2)CC1 ZINC000574755033 335044850 /nfs/dbraw/zinc/04/48/50/335044850.db2.gz UAGDJRSFOFSAOR-NSHDSACASA-N 2 2 282.388 -0.593 20 0 CBADLP CNC(=O)CC1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000093178047 207366894 /nfs/dbraw/zinc/36/68/94/207366894.db2.gz IHKOAISBCMSDSH-UHFFFAOYSA-N 2 2 296.415 -0.392 20 0 CBADLP COCC[NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000105900206 207368745 /nfs/dbraw/zinc/36/87/45/207368745.db2.gz SNIBHZPSYVLBFV-UHFFFAOYSA-N 2 2 273.377 -0.551 20 0 CBADLP C[C@@H]([NH3+])[C@@H](C)C(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000493968595 532969129 /nfs/dbraw/zinc/96/91/29/532969129.db2.gz LDYFHAUBCMIZPC-IJLUTSLNSA-N 2 2 256.394 -0.278 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000368495942 285045072 /nfs/dbraw/zinc/04/50/72/285045072.db2.gz XZZUSOJOOCZNIO-JTQLQIEISA-N 2 2 277.315 -0.226 20 0 CBADLP COCCNC(=O)C1([NH2+]Cc2c[nH+]c(N(C)C)n2C)CC1 ZINC000425371465 208019844 /nfs/dbraw/zinc/01/98/44/208019844.db2.gz QDNHMONUASIQEZ-UHFFFAOYSA-N 2 2 295.387 -0.129 20 0 CBADLP COCCN1CC[NH+](CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000429684415 208127179 /nfs/dbraw/zinc/12/71/79/208127179.db2.gz KGOZZOFCEAMJSW-UHFFFAOYSA-N 2 2 298.431 -0.586 20 0 CBADLP COCC[NH+]1CCN(CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000429684415 208127186 /nfs/dbraw/zinc/12/71/86/208127186.db2.gz KGOZZOFCEAMJSW-UHFFFAOYSA-N 2 2 298.431 -0.586 20 0 CBADLP CC(C)[C@H]1C(=O)NCC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000429672478 208128228 /nfs/dbraw/zinc/12/82/28/208128228.db2.gz DSQMGNFNWVZYIM-AWEZNQCLSA-N 2 2 296.415 -0.393 20 0 CBADLP CC(C)[C@H]1C(=O)NCC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000429672478 208128234 /nfs/dbraw/zinc/12/82/34/208128234.db2.gz DSQMGNFNWVZYIM-AWEZNQCLSA-N 2 2 296.415 -0.393 20 0 CBADLP COC(=O)[C@@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)CCO1 ZINC000429678070 208128664 /nfs/dbraw/zinc/12/86/64/208128664.db2.gz MOYAXARSVMQEPJ-LBPRGKRZSA-N 2 2 299.371 -0.976 20 0 CBADLP COC(=O)[C@@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)CCO1 ZINC000429678070 208128667 /nfs/dbraw/zinc/12/86/67/208128667.db2.gz MOYAXARSVMQEPJ-LBPRGKRZSA-N 2 2 299.371 -0.976 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000430719028 208175475 /nfs/dbraw/zinc/17/54/75/208175475.db2.gz IPBOKCBRRPFJNW-LBPRGKRZSA-N 2 2 294.399 -0.449 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000430719028 208175480 /nfs/dbraw/zinc/17/54/80/208175480.db2.gz IPBOKCBRRPFJNW-LBPRGKRZSA-N 2 2 294.399 -0.449 20 0 CBADLP COC[C@@H](C)NC(=O)NC(=O)C[N@H+](C)CC(C)(C)C[NH3+] ZINC000430562801 208165120 /nfs/dbraw/zinc/16/51/20/208165120.db2.gz SHDBAPCYAXENKW-SNVBAGLBSA-N 2 2 288.392 -0.236 20 0 CBADLP COC[C@@H](C)NC(=O)NC(=O)C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430562801 208165125 /nfs/dbraw/zinc/16/51/25/208165125.db2.gz SHDBAPCYAXENKW-SNVBAGLBSA-N 2 2 288.392 -0.236 20 0 CBADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)CC(=O)N[C@@H](C)C(=O)N(C)C ZINC000430548996 208166221 /nfs/dbraw/zinc/16/62/21/208166221.db2.gz XBSLURGTNIEQHV-RYUDHWBXSA-N 2 2 286.420 -0.116 20 0 CBADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CC(=O)N[C@@H](C)C(=O)N(C)C ZINC000430548996 208166227 /nfs/dbraw/zinc/16/62/27/208166227.db2.gz XBSLURGTNIEQHV-RYUDHWBXSA-N 2 2 286.420 -0.116 20 0 CBADLP C[C@](C[NH3+])([NH2+]CC(=O)NC(=O)NC1CC1)C1CC1 ZINC000430582042 208166818 /nfs/dbraw/zinc/16/68/18/208166818.db2.gz JEZXHUKXRLDLIF-GFCCVEGCSA-N 2 2 254.334 -0.308 20 0 CBADLP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[NH+]1CCC([NH3+])CC1 ZINC000430599312 208166849 /nfs/dbraw/zinc/16/68/49/208166849.db2.gz AFHBLEUCRGXSTK-GHMZBOCLSA-N 2 2 282.388 -0.478 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC([NH3+])CC2)CC1 ZINC000430630600 208169867 /nfs/dbraw/zinc/16/98/67/208169867.db2.gz YZKIWOLSMGYXRY-GFCCVEGCSA-N 3 2 268.405 -0.038 20 0 CBADLP CCC[C@@](C)([NH3+])C(=O)NCC[NH+]1CCN(C(C)=O)CC1 ZINC000430744123 208177409 /nfs/dbraw/zinc/17/74/09/208177409.db2.gz MKCAEICRDHAABE-CQSZACIVSA-N 2 2 284.404 -0.216 20 0 CBADLP CC[C@H]([NH3+])C(=O)NCC[NH+]1CCN(C(C)=O)CC1 ZINC000430747006 208178105 /nfs/dbraw/zinc/17/81/05/208178105.db2.gz UTXHOOGWOIASNB-NSHDSACASA-N 2 2 256.350 -0.996 20 0 CBADLP C[NH2+]CCCC(=O)NCC[NH+]1CCN(C(C)=O)CC1 ZINC000430759724 208179618 /nfs/dbraw/zinc/17/96/18/208179618.db2.gz FLQXCOLSVVZXDJ-UHFFFAOYSA-N 2 2 270.377 -0.734 20 0 CBADLP O=C([C@@H]1COCC[NH2+]1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000430783138 208181363 /nfs/dbraw/zinc/18/13/63/208181363.db2.gz KZVBSBLTRNUIMJ-STQMWFEESA-N 2 2 283.372 -0.845 20 0 CBADLP C[NH+](C)C1(CNC(=O)CN2CC[NH2+]CC2=O)CCCC1 ZINC000430824203 208184338 /nfs/dbraw/zinc/18/43/38/208184338.db2.gz ASJHCONTJLNQHK-UHFFFAOYSA-N 2 2 282.388 -0.591 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000430880217 208185838 /nfs/dbraw/zinc/18/58/38/208185838.db2.gz SHHYQPACUPHUKF-AAEUAGOBSA-N 2 2 255.362 -0.177 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000430880217 208185840 /nfs/dbraw/zinc/18/58/40/208185840.db2.gz SHHYQPACUPHUKF-AAEUAGOBSA-N 2 2 255.362 -0.177 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C[NH2+]CC1CC1 ZINC000430877870 208185889 /nfs/dbraw/zinc/18/58/89/208185889.db2.gz FTHSGSWVEKZPNZ-NSHDSACASA-N 2 2 255.362 -0.177 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)C[NH2+]CC1CC1 ZINC000430877870 208185895 /nfs/dbraw/zinc/18/58/95/208185895.db2.gz FTHSGSWVEKZPNZ-NSHDSACASA-N 2 2 255.362 -0.177 20 0 CBADLP COCC[C@]1(C(=O)NCC[N@@H+]2CCOC[C@H]2C)CC[NH2+]C1 ZINC000430880992 208188441 /nfs/dbraw/zinc/18/84/41/208188441.db2.gz XDKNFLPUQWMJLE-UKRRQHHQSA-N 2 2 299.415 -0.161 20 0 CBADLP COCC[C@]1(C(=O)NCC[N@H+]2CCOC[C@H]2C)CC[NH2+]C1 ZINC000430880992 208188447 /nfs/dbraw/zinc/18/84/47/208188447.db2.gz XDKNFLPUQWMJLE-UKRRQHHQSA-N 2 2 299.415 -0.161 20 0 CBADLP C[NH2+]C[C@@H]1CC[N@@H+]([C@H](C)C(=O)NC(=O)NC2CC2)C1 ZINC000430924346 208190961 /nfs/dbraw/zinc/19/09/61/208190961.db2.gz AMQIFWNDTMXIAC-ZJUUUORDSA-N 2 2 268.361 -0.096 20 0 CBADLP C[NH2+]C[C@@H]1CC[N@H+]([C@H](C)C(=O)NC(=O)NC2CC2)C1 ZINC000430924346 208190965 /nfs/dbraw/zinc/19/09/65/208190965.db2.gz AMQIFWNDTMXIAC-ZJUUUORDSA-N 2 2 268.361 -0.096 20 0 CBADLP Cn1cc(N2CC[C@H]([N@@H+]3CC[C@H](C[NH3+])C3)C2=O)cn1 ZINC000430917230 208191203 /nfs/dbraw/zinc/19/12/03/208191203.db2.gz JIKXLERIAMNBTJ-PWSUYJOCSA-N 2 2 263.345 -0.194 20 0 CBADLP Cn1cc(N2CC[C@H]([N@H+]3CC[C@H](C[NH3+])C3)C2=O)cn1 ZINC000430917230 208191205 /nfs/dbraw/zinc/19/12/05/208191205.db2.gz JIKXLERIAMNBTJ-PWSUYJOCSA-N 2 2 263.345 -0.194 20 0 CBADLP C[NH2+]C1CC[NH+]([C@H](C)C(=O)N2CCN(C(C)=O)CC2)CC1 ZINC000430917348 208191509 /nfs/dbraw/zinc/19/15/09/208191509.db2.gz CSGCFKFQWXFKMX-GFCCVEGCSA-N 2 2 296.415 -0.251 20 0 CBADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](C[NH3+])C2)CC1 ZINC000430936671 208192367 /nfs/dbraw/zinc/19/23/67/208192367.db2.gz VRNCIUIBKACYPF-LBPRGKRZSA-N 3 2 268.405 -0.133 20 0 CBADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](C[NH3+])C2)CC1 ZINC000430936671 208192371 /nfs/dbraw/zinc/19/23/71/208192371.db2.gz VRNCIUIBKACYPF-LBPRGKRZSA-N 3 2 268.405 -0.133 20 0 CBADLP C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000430943277 208193341 /nfs/dbraw/zinc/19/33/41/208193341.db2.gz OLTWHBPHYRNNOK-QWRGUYRKSA-N 2 2 282.388 -0.608 20 0 CBADLP C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430943277 208193346 /nfs/dbraw/zinc/19/33/46/208193346.db2.gz OLTWHBPHYRNNOK-QWRGUYRKSA-N 2 2 282.388 -0.608 20 0 CBADLP C[NH2+]C[C@H](C)C(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000431003935 208195767 /nfs/dbraw/zinc/19/57/67/208195767.db2.gz DPXPXWFYYYBKQX-LBPRGKRZSA-N 2 2 279.388 -0.080 20 0 CBADLP CCN1CC[NH+](CCCCNC(=O)[C@H]2COCC[NH2+]2)CC1 ZINC000431017994 208197732 /nfs/dbraw/zinc/19/77/32/208197732.db2.gz UDRXBFHNFDKFQQ-CQSZACIVSA-N 2 2 298.431 -0.491 20 0 CBADLP CC[NH+]1CCN(CCCCNC(=O)[C@H]2COCC[NH2+]2)CC1 ZINC000431017994 208197736 /nfs/dbraw/zinc/19/77/36/208197736.db2.gz UDRXBFHNFDKFQQ-CQSZACIVSA-N 2 2 298.431 -0.491 20 0 CBADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)CN1CC[NH2+]CC1=O ZINC000431021223 208200102 /nfs/dbraw/zinc/20/01/02/208200102.db2.gz IGZMDKCELPTXIH-PWSUYJOCSA-N 2 2 280.372 -0.983 20 0 CBADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)CN1CC[NH2+]CC1=O ZINC000431021223 208200105 /nfs/dbraw/zinc/20/01/05/208200105.db2.gz IGZMDKCELPTXIH-PWSUYJOCSA-N 2 2 280.372 -0.983 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NCC[NH2+]C(C)(C)C ZINC000431799227 208213352 /nfs/dbraw/zinc/21/33/52/208213352.db2.gz HTKSFHIABXWCSQ-UHFFFAOYSA-N 2 2 286.420 -0.053 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NCC[NH2+]C(C)(C)C ZINC000431799227 208213360 /nfs/dbraw/zinc/21/33/60/208213360.db2.gz HTKSFHIABXWCSQ-UHFFFAOYSA-N 2 2 286.420 -0.053 20 0 CBADLP CC[NH+]1CCN(CCC(=O)N2CC[NH+](CCO)CC2)CC1 ZINC000433839002 208250286 /nfs/dbraw/zinc/25/02/86/208250286.db2.gz NQWIDCZHYZOZIV-UHFFFAOYSA-N 2 2 298.431 -0.850 20 0 CBADLP CCN1CC[NH+](CCC(=O)N2CC[NH+](CCO)CC2)CC1 ZINC000433839002 208250288 /nfs/dbraw/zinc/25/02/88/208250288.db2.gz NQWIDCZHYZOZIV-UHFFFAOYSA-N 2 2 298.431 -0.850 20 0 CBADLP C[C@H](CNC(=O)CC[C@H](C)[NH3+])[NH+]1CCN(C)CC1 ZINC000434676634 208266139 /nfs/dbraw/zinc/26/61/39/208266139.db2.gz SRJCMTKZQWQWOY-NWDGAFQWSA-N 2 2 256.394 -0.134 20 0 CBADLP CCS(=O)(=O)NCC[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000435616721 208281327 /nfs/dbraw/zinc/28/13/27/208281327.db2.gz MTKBWXZZOMISOE-NSHDSACASA-N 2 2 263.407 0.000 20 0 CBADLP CCS(=O)(=O)NCC[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000435616721 208281331 /nfs/dbraw/zinc/28/13/31/208281331.db2.gz MTKBWXZZOMISOE-NSHDSACASA-N 2 2 263.407 0.000 20 0 CBADLP C[NH2+]CCCN1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000435876368 208283923 /nfs/dbraw/zinc/28/39/23/208283923.db2.gz XXYWWUXPZRXRAC-UHFFFAOYSA-N 2 2 268.405 -0.164 20 0 CBADLP CCS(=O)(=O)N1CC(C[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC000438902569 208313870 /nfs/dbraw/zinc/31/38/70/208313870.db2.gz GFNSSQMYVPSQES-CMPLNLGQSA-N 2 2 275.418 -0.192 20 0 CBADLP CCS(=O)(=O)N1CC(C[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC000438902569 208313875 /nfs/dbraw/zinc/31/38/75/208313875.db2.gz GFNSSQMYVPSQES-CMPLNLGQSA-N 2 2 275.418 -0.192 20 0 CBADLP CCS(=O)(=O)N1CC(C[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC000438902572 208316420 /nfs/dbraw/zinc/31/64/20/208316420.db2.gz GFNSSQMYVPSQES-ZYHUDNBSSA-N 2 2 275.418 -0.192 20 0 CBADLP CCS(=O)(=O)N1CC(C[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC000438902572 208316425 /nfs/dbraw/zinc/31/64/25/208316425.db2.gz GFNSSQMYVPSQES-ZYHUDNBSSA-N 2 2 275.418 -0.192 20 0 CBADLP COCCCNC(=O)[C@@H](C)[NH+]1CCN(C[C@@H](C)[NH3+])CC1 ZINC000442658892 208360135 /nfs/dbraw/zinc/36/01/35/208360135.db2.gz JKXULDYOEWUHCM-CHWSQXEVSA-N 2 2 286.420 -0.508 20 0 CBADLP C[C@@H]([NH3+])CN1CC[NH+]([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000442664484 208360474 /nfs/dbraw/zinc/36/04/74/208360474.db2.gz WLVOQEFTHQIFGE-CHWSQXEVSA-N 2 2 284.404 -0.802 20 0 CBADLP C[C@H](NC(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)C(=O)N(C)C ZINC000442768538 208364436 /nfs/dbraw/zinc/36/44/36/208364436.db2.gz UBDNWHQQYZTIKQ-ACJTYDJDSA-N 2 2 296.415 -0.206 20 0 CBADLP C[C@H](NC(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)C(=O)N(C)C ZINC000442768538 208364440 /nfs/dbraw/zinc/36/44/40/208364440.db2.gz UBDNWHQQYZTIKQ-ACJTYDJDSA-N 2 2 296.415 -0.206 20 0 CBADLP C[N@H+](CCNS(C)(=O)=O)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442767944 208365868 /nfs/dbraw/zinc/36/58/68/208365868.db2.gz KIUKWZZAJATYLV-ZACCUICWSA-N 2 2 261.391 -0.250 20 0 CBADLP C[N@@H+](CCNS(C)(=O)=O)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442767944 208365873 /nfs/dbraw/zinc/36/58/73/208365873.db2.gz KIUKWZZAJATYLV-ZACCUICWSA-N 2 2 261.391 -0.250 20 0 CBADLP C[C@H](NC(=O)C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C)C(=O)N(C)C ZINC000442785726 208366505 /nfs/dbraw/zinc/36/65/05/208366505.db2.gz YGCIYKGTYXXHPJ-VWYCJHECSA-N 2 2 270.377 -0.752 20 0 CBADLP C[C@H](NC(=O)C[N@H+]1C[C@H](C[NH3+])C[C@H]1C)C(=O)N(C)C ZINC000442785726 208366509 /nfs/dbraw/zinc/36/65/09/208366509.db2.gz YGCIYKGTYXXHPJ-VWYCJHECSA-N 2 2 270.377 -0.752 20 0 CBADLP C[NH+](C)CC(=O)NC[C@@]1(C)CCN(C(=O)C[NH+](C)C)C1 ZINC000442826044 208367254 /nfs/dbraw/zinc/36/72/54/208367254.db2.gz JBNVONVTJHSGBB-CQSZACIVSA-N 2 2 284.404 -0.536 20 0 CBADLP C[N@H+](CC(=O)N1CCNC(=O)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442792470 208368693 /nfs/dbraw/zinc/36/86/93/208368693.db2.gz QDDYJIRKBUKMBL-FOSCPWQOSA-N 2 2 280.372 -0.840 20 0 CBADLP C[N@@H+](CC(=O)N1CCNC(=O)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442792470 208368698 /nfs/dbraw/zinc/36/86/98/208368698.db2.gz QDDYJIRKBUKMBL-FOSCPWQOSA-N 2 2 280.372 -0.840 20 0 CBADLP CO[C@H](C[NH3+])CC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000447437605 208460942 /nfs/dbraw/zinc/46/09/42/208460942.db2.gz ZJTLZOVLZYVDSB-NSHDSACASA-N 2 2 281.360 -0.582 20 0 CBADLP COC[C@@H](C)NC(=[NH2+])NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000366453749 285206364 /nfs/dbraw/zinc/20/63/64/285206364.db2.gz CPLUNLLOCVVSCF-ZYHUDNBSSA-N 2 2 270.377 -0.002 20 0 CBADLP COC[C@@H](C)NC(=[NH2+])NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000366453749 285206367 /nfs/dbraw/zinc/20/63/67/285206367.db2.gz CPLUNLLOCVVSCF-ZYHUDNBSSA-N 2 2 270.377 -0.002 20 0 CBADLP O=C(CCc1[nH]cc[nH+]1)NC[C@H]1C[NH+]2CCN1CC2 ZINC000288280840 197042218 /nfs/dbraw/zinc/04/22/18/197042218.db2.gz SLOLMLUQPIYNMC-NSHDSACASA-N 2 2 263.345 -0.542 20 0 CBADLP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CN1CC[NH2+]CC1=O ZINC000168421276 285234666 /nfs/dbraw/zinc/23/46/66/285234666.db2.gz OXTRPWHFIDCSPY-GFCCVEGCSA-N 2 2 282.388 -0.639 20 0 CBADLP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)CN1CC[NH2+]CC1=O ZINC000168421276 285234667 /nfs/dbraw/zinc/23/46/67/285234667.db2.gz OXTRPWHFIDCSPY-GFCCVEGCSA-N 2 2 282.388 -0.639 20 0 CBADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCC(=O)NC(N)=O ZINC000521029412 262170636 /nfs/dbraw/zinc/17/06/36/262170636.db2.gz DFSWFUJQBXFWFI-WPRPVWTQSA-N 2 2 254.334 -0.356 20 0 CBADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCC(=O)NC(N)=O ZINC000521029412 262170638 /nfs/dbraw/zinc/17/06/38/262170638.db2.gz DFSWFUJQBXFWFI-WPRPVWTQSA-N 2 2 254.334 -0.356 20 0 CBADLP C[C@H]([C@H](C)NC(=O)COC1C[NH2+]C1)[NH+]1CCOCC1 ZINC000430718566 299602773 /nfs/dbraw/zinc/60/27/73/299602773.db2.gz CQYLUZFGGAXUNO-WDEREUQCSA-N 2 2 271.361 -0.800 20 0 CBADLP C[C@@H](C(=O)N1CCC[C@@H]([NH3+])C1)[NH+]1CCN(C)CC1 ZINC000575060825 335060677 /nfs/dbraw/zinc/06/06/77/335060677.db2.gz OIBNFBNJIPXTNE-NWDGAFQWSA-N 2 2 254.378 -0.428 20 0 CBADLP Cc1cc(CC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])no1 ZINC000575060349 335060736 /nfs/dbraw/zinc/06/07/36/335060736.db2.gz MISGLNQIVJGSGF-LLVKDONJSA-N 2 2 252.318 -0.373 20 0 CBADLP Cc1cc(CC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])no1 ZINC000575060349 335060737 /nfs/dbraw/zinc/06/07/37/335060737.db2.gz MISGLNQIVJGSGF-LLVKDONJSA-N 2 2 252.318 -0.373 20 0 CBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C[NH2+]C2CC2)[C@H](C)C1 ZINC000521425829 262327881 /nfs/dbraw/zinc/32/78/81/262327881.db2.gz YPIOMEOSQJGLSQ-LLVKDONJSA-N 2 2 283.372 -0.166 20 0 CBADLP COC(=O)CC[N@H+]1CCN(C(=O)C[NH2+]C2CC2)[C@H](C)C1 ZINC000521425829 262327882 /nfs/dbraw/zinc/32/78/82/262327882.db2.gz YPIOMEOSQJGLSQ-LLVKDONJSA-N 2 2 283.372 -0.166 20 0 CBADLP COC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000121363572 533420300 /nfs/dbraw/zinc/42/03/00/533420300.db2.gz XATKPKODSNWXAJ-LBPRGKRZSA-N 2 2 283.372 -0.212 20 0 CBADLP COC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000121363572 533420306 /nfs/dbraw/zinc/42/03/06/533420306.db2.gz XATKPKODSNWXAJ-LBPRGKRZSA-N 2 2 283.372 -0.212 20 0 CBADLP C[C@H](C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1)[NH+]1CCN(C)CC1 ZINC000575125053 335069677 /nfs/dbraw/zinc/06/96/77/335069677.db2.gz UHRCSRLPFONVQI-MCIONIFRSA-N 2 2 280.416 -0.310 20 0 CBADLP C[C@H](C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1)[NH+]1CCN(C)CC1 ZINC000575125054 335069812 /nfs/dbraw/zinc/06/98/12/335069812.db2.gz UHRCSRLPFONVQI-MGPQQGTHSA-N 2 2 280.416 -0.310 20 0 CBADLP O=C([C@@H]1CC[NH2+]C1)N1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000378206756 304352950 /nfs/dbraw/zinc/35/29/50/304352950.db2.gz AHDKQIGCXOVVGC-CHWSQXEVSA-N 2 2 294.399 -0.591 20 0 CBADLP CCOCC[NH+]1CCN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)CC1 ZINC000261944030 286086716 /nfs/dbraw/zinc/08/67/16/286086716.db2.gz JQHYLPQIBBIAOG-OLZOCXBDSA-N 2 2 285.388 -0.327 20 0 CBADLP COCCCS(=O)(=O)NCC[N@H+](C)C1CC[NH2+]CC1 ZINC000430633187 292371002 /nfs/dbraw/zinc/37/10/02/292371002.db2.gz ZBYTVFLETCHMMF-UHFFFAOYSA-N 2 2 293.433 -0.374 20 0 CBADLP COCCCS(=O)(=O)NCC[N@@H+](C)C1CC[NH2+]CC1 ZINC000430633187 292371004 /nfs/dbraw/zinc/37/10/04/292371004.db2.gz ZBYTVFLETCHMMF-UHFFFAOYSA-N 2 2 293.433 -0.374 20 0 CBADLP COCCCS(=O)(=O)NCC[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430646665 292372804 /nfs/dbraw/zinc/37/28/04/292372804.db2.gz DTSIDILDKHMZER-LBPRGKRZSA-N 2 2 293.433 -0.387 20 0 CBADLP COCCCS(=O)(=O)NCC[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430646665 292372806 /nfs/dbraw/zinc/37/28/06/292372806.db2.gz DTSIDILDKHMZER-LBPRGKRZSA-N 2 2 293.433 -0.387 20 0 CBADLP COCCCS(=O)(=O)NCC[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000430958381 292373715 /nfs/dbraw/zinc/37/37/15/292373715.db2.gz XOFLVJJCVGHCFW-NWDGAFQWSA-N 2 2 293.433 -0.389 20 0 CBADLP COCCCS(=O)(=O)NCC[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000430958381 292373718 /nfs/dbraw/zinc/37/37/18/292373718.db2.gz XOFLVJJCVGHCFW-NWDGAFQWSA-N 2 2 293.433 -0.389 20 0 CBADLP C[C@@H](C[NH3+])C(=O)N1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000367507231 286822410 /nfs/dbraw/zinc/82/24/10/286822410.db2.gz KATVKIPWXGGVMJ-RYUDHWBXSA-N 2 2 282.388 -0.606 20 0 CBADLP C[N@@H+]1CC[C@@H]2OCCN(C(=O)Cn3cc[nH+]c3)[C@H]2C1 ZINC000284908387 196154639 /nfs/dbraw/zinc/15/46/39/196154639.db2.gz HPLITGDWYMMGHJ-RYUDHWBXSA-N 2 2 264.329 -0.185 20 0 CBADLP C[N@H+]1CC[C@@H]2OCCN(C(=O)Cn3cc[nH+]c3)[C@H]2C1 ZINC000284908387 196154641 /nfs/dbraw/zinc/15/46/41/196154641.db2.gz HPLITGDWYMMGHJ-RYUDHWBXSA-N 2 2 264.329 -0.185 20 0 CBADLP [NH3+][C@@H](C(=O)N1CC[NH+](CCO)CC1)c1ccccc1 ZINC000035609628 172294872 /nfs/dbraw/zinc/29/48/72/172294872.db2.gz SLLKQNOSBRTHPP-CYBMUJFWSA-N 2 2 263.341 -0.177 20 0 CBADLP CCn1cc[nH+]c1[C@H](C)NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000662899966 414062329 /nfs/dbraw/zinc/06/23/29/414062329.db2.gz JBTDBOKXFXJKKW-WDEREUQCSA-N 2 2 293.371 -0.052 20 0 CBADLP NC(=O)NC(=O)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000037918034 173853312 /nfs/dbraw/zinc/85/33/12/173853312.db2.gz GHAZCNIBORHCBJ-VHSXEESVSA-N 2 2 254.334 -0.355 20 0 CBADLP NC(=O)NC(=O)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000037918034 173853314 /nfs/dbraw/zinc/85/33/14/173853314.db2.gz GHAZCNIBORHCBJ-VHSXEESVSA-N 2 2 254.334 -0.355 20 0 CBADLP Cn1cc(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)cn1 ZINC000038030969 174023500 /nfs/dbraw/zinc/02/35/00/174023500.db2.gz BCBCQXLHHQRTHI-UHFFFAOYSA-N 2 2 251.334 -0.716 20 0 CBADLP Cn1cc(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)cn1 ZINC000038030969 174023503 /nfs/dbraw/zinc/02/35/03/174023503.db2.gz BCBCQXLHHQRTHI-UHFFFAOYSA-N 2 2 251.334 -0.716 20 0 CBADLP C[N@H+](CC(=O)N1CC[NH2+]CC1)CC(=O)N1CCCCCC1 ZINC000038031458 174025791 /nfs/dbraw/zinc/02/57/91/174025791.db2.gz RJQBRLQIFKYPPE-UHFFFAOYSA-N 2 2 296.415 -0.247 20 0 CBADLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)CC(=O)N1CCCCCC1 ZINC000038031458 174025792 /nfs/dbraw/zinc/02/57/92/174025792.db2.gz RJQBRLQIFKYPPE-UHFFFAOYSA-N 2 2 296.415 -0.247 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000044530075 175195048 /nfs/dbraw/zinc/19/50/48/175195048.db2.gz OYOHAENZPWFQKC-GFCCVEGCSA-N 2 2 284.404 -0.358 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044530075 175195049 /nfs/dbraw/zinc/19/50/49/175195049.db2.gz OYOHAENZPWFQKC-GFCCVEGCSA-N 2 2 284.404 -0.358 20 0 CBADLP [NH3+]CC1(C(=O)N2CC[NH+](CCO)CC2)CCCC1 ZINC000044762914 175247131 /nfs/dbraw/zinc/24/71/31/175247131.db2.gz ICJHCEMTJHMNDV-UHFFFAOYSA-N 2 2 255.362 -0.358 20 0 CBADLP CC[NH+](CC)CC(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000171587675 335072076 /nfs/dbraw/zinc/07/20/76/335072076.db2.gz CKDQUTHLMUSFKE-GFCCVEGCSA-N 2 2 257.378 -0.147 20 0 CBADLP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH2+]C)C1 ZINC000071147641 176043153 /nfs/dbraw/zinc/04/31/53/176043153.db2.gz NLDBNJNHFPKPER-NXEZZACHSA-N 2 2 256.350 -0.238 20 0 CBADLP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC000071147641 176043155 /nfs/dbraw/zinc/04/31/55/176043155.db2.gz NLDBNJNHFPKPER-NXEZZACHSA-N 2 2 256.350 -0.238 20 0 CBADLP CNC(=O)NC(=O)[C@H](C)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000575192346 335078309 /nfs/dbraw/zinc/07/83/09/335078309.db2.gz QMGWHWRNXRDCFT-VIFPVBQESA-N 2 2 280.332 -0.624 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)NCCn1cc[nH+]c1 ZINC000356120739 228128885 /nfs/dbraw/zinc/12/88/85/228128885.db2.gz WJBFUOWQQXJBGL-LBPRGKRZSA-N 2 2 281.360 -0.097 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)NCCn1cc[nH+]c1 ZINC000356120739 228128887 /nfs/dbraw/zinc/12/88/87/228128887.db2.gz WJBFUOWQQXJBGL-LBPRGKRZSA-N 2 2 281.360 -0.097 20 0 CBADLP CN(C)c1[nH+]cc(C[NH2+]C[C@@H]2CCC(=O)N2)n1C ZINC000079928463 544427905 /nfs/dbraw/zinc/42/79/05/544427905.db2.gz QRONBDPVZMPURY-VIFPVBQESA-N 2 2 251.334 -0.146 20 0 CBADLP CC(C)(CNC(=O)c1cn(CC[NH3+])nn1)[NH+]1CCOCC1 ZINC000089700184 544436604 /nfs/dbraw/zinc/43/66/04/544436604.db2.gz UJHJAUSCGNWBBT-UHFFFAOYSA-N 2 2 296.375 -0.923 20 0 CBADLP CN(C)C(=O)C[NH+]1CCN(C(=O)C[C@@H]2CC[NH2+]C2)CC1 ZINC000089743968 544438357 /nfs/dbraw/zinc/43/83/57/544438357.db2.gz BLVCWKKAKPCORS-LBPRGKRZSA-N 2 2 282.388 -0.782 20 0 CBADLP O=C(NCC[NH+]1CCOCC1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111243155 544448538 /nfs/dbraw/zinc/44/85/38/544448538.db2.gz LZGIVJJLRBPQTH-LLVKDONJSA-N 2 2 295.305 -0.023 20 0 CBADLP C[C@H]1C[C@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000156146496 544471472 /nfs/dbraw/zinc/47/14/72/544471472.db2.gz LOHCEORHQOZSRB-QWHCGFSZSA-N 3 2 268.405 -0.167 20 0 CBADLP C[C@H]1C[C@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)CC[N@H+]1C ZINC000156146496 544471478 /nfs/dbraw/zinc/47/14/78/544471478.db2.gz LOHCEORHQOZSRB-QWHCGFSZSA-N 3 2 268.405 -0.167 20 0 CBADLP C[C@H]1C[C@H](NCC(=O)N2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000156146496 544471483 /nfs/dbraw/zinc/47/14/83/544471483.db2.gz LOHCEORHQOZSRB-QWHCGFSZSA-N 2 2 268.405 -0.167 20 0 CBADLP C[C@H]1C[C@H](NCC(=O)N2CC[NH+](C)CC2)CC[N@H+]1C ZINC000156146496 544471486 /nfs/dbraw/zinc/47/14/86/544471486.db2.gz LOHCEORHQOZSRB-QWHCGFSZSA-N 2 2 268.405 -0.167 20 0 CBADLP CCCC(=O)NCC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000162539972 544477634 /nfs/dbraw/zinc/47/76/34/544477634.db2.gz HIDOJHMZPPTOJV-SNVBAGLBSA-N 2 2 256.350 -0.996 20 0 CBADLP CCCC(=O)NCC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000162539972 544477637 /nfs/dbraw/zinc/47/76/37/544477637.db2.gz HIDOJHMZPPTOJV-SNVBAGLBSA-N 2 2 256.350 -0.996 20 0 CBADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@H]1CCCN1S(C)(=O)=O ZINC000333837766 544546526 /nfs/dbraw/zinc/54/65/26/544546526.db2.gz NRTVUABHMGIWQI-IJLUTSLNSA-N 2 2 275.418 -0.002 20 0 CBADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)C[NH2+]C2CC2)CC1 ZINC000237028479 544508299 /nfs/dbraw/zinc/50/82/99/544508299.db2.gz VNZHNFWWKBNEKE-UHFFFAOYSA-N 2 2 296.415 -0.249 20 0 CBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@]1(C)CCC[NH2+]C1 ZINC000237223512 544508608 /nfs/dbraw/zinc/50/86/08/544508608.db2.gz MQYWZUUXSFXYTH-UKRRQHHQSA-N 2 2 299.415 -0.472 20 0 CBADLP CC[C@H]1C[N@H+](CC(=O)N2CCOCC2)CC[C@H]1[NH3+] ZINC000251554991 544514113 /nfs/dbraw/zinc/51/41/13/544514113.db2.gz BGVQMZSIAINUKG-NWDGAFQWSA-N 2 2 255.362 -0.096 20 0 CBADLP CC[C@H]1C[N@@H+](CC(=O)N2CCOCC2)CC[C@H]1[NH3+] ZINC000251554991 544514115 /nfs/dbraw/zinc/51/41/15/544514115.db2.gz BGVQMZSIAINUKG-NWDGAFQWSA-N 2 2 255.362 -0.096 20 0 CBADLP C[C@@H]1CCC[N@H+](CCN2C(=O)CNC2=O)[C@H]1C[NH3+] ZINC000252208138 544514432 /nfs/dbraw/zinc/51/44/32/544514432.db2.gz VOUBJCPCGUCPDI-ZJUUUORDSA-N 2 2 254.334 -0.403 20 0 CBADLP C[C@@H]1CCC[N@@H+](CCN2C(=O)CNC2=O)[C@H]1C[NH3+] ZINC000252208138 544514437 /nfs/dbraw/zinc/51/44/37/544514437.db2.gz VOUBJCPCGUCPDI-ZJUUUORDSA-N 2 2 254.334 -0.403 20 0 CBADLP [NH3+]C[C@H]1CCC[N@H+](CC(=O)NC[C@H]2CCCO2)C1 ZINC000251415607 544514758 /nfs/dbraw/zinc/51/47/58/544514758.db2.gz RPBXNIPOIRQICP-VXGBXAGGSA-N 2 2 255.362 -0.048 20 0 CBADLP [NH3+]C[C@H]1CCC[N@@H+](CC(=O)NC[C@H]2CCCO2)C1 ZINC000251415607 544514763 /nfs/dbraw/zinc/51/47/63/544514763.db2.gz RPBXNIPOIRQICP-VXGBXAGGSA-N 2 2 255.362 -0.048 20 0 CBADLP CN1CC[N@H+](C)[C@H](CNC(=O)C[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000261869518 544517737 /nfs/dbraw/zinc/51/77/37/544517737.db2.gz SEXHKWTVBXIQCQ-YNEHKIRRSA-N 2 2 268.405 -0.134 20 0 CBADLP CN1CC[N@@H+](C)[C@H](CNC(=O)C[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000261869518 544517741 /nfs/dbraw/zinc/51/77/41/544517741.db2.gz SEXHKWTVBXIQCQ-YNEHKIRRSA-N 2 2 268.405 -0.134 20 0 CBADLP Cc1nc(N2CC[N@@H+](CCO)C[C@@H]2C)nc(N)[nH+]1 ZINC000631305259 419478283 /nfs/dbraw/zinc/47/82/83/419478283.db2.gz SKADKXFZUVUXMG-QMMMGPOBSA-N 2 2 252.322 -0.735 20 0 CBADLP Cc1nc(N2CC[N@H+](CCO)C[C@@H]2C)nc(N)[nH+]1 ZINC000631305259 419478288 /nfs/dbraw/zinc/47/82/88/419478288.db2.gz SKADKXFZUVUXMG-QMMMGPOBSA-N 2 2 252.322 -0.735 20 0 CBADLP CC[C@@H](C)[C@H](NC(=O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C(=O)OC ZINC000107575133 419484851 /nfs/dbraw/zinc/48/48/51/419484851.db2.gz LAWYKTVBPUWBOY-NMKXLXIOSA-N 2 2 297.399 -0.159 20 0 CBADLP CC[C@@H](C)[C@H](NC(=O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C(=O)OC ZINC000107575133 419484863 /nfs/dbraw/zinc/48/48/63/419484863.db2.gz LAWYKTVBPUWBOY-NMKXLXIOSA-N 2 2 297.399 -0.159 20 0 CBADLP C[C@H]([NH3+])[C@H]1CN(C(=O)CCn2cc[nH+]c2)CCO1 ZINC000122779409 419488010 /nfs/dbraw/zinc/48/80/10/419488010.db2.gz DTDSUKVYVKYZFR-WDEREUQCSA-N 2 2 252.318 -0.152 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N(C)CCC[NH3+] ZINC000042602109 419425046 /nfs/dbraw/zinc/42/50/46/419425046.db2.gz YVUZIFRPKJEVSH-UHFFFAOYSA-N 2 2 258.366 -0.750 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N(C)CCC[NH3+] ZINC000042602109 419425058 /nfs/dbraw/zinc/42/50/58/419425058.db2.gz YVUZIFRPKJEVSH-UHFFFAOYSA-N 2 2 258.366 -0.750 20 0 CBADLP C[NH2+]CCOCC[N@H+](C)[C@H](C)c1nc(N)nc(N(C)C)n1 ZINC000629571138 419457478 /nfs/dbraw/zinc/45/74/78/419457478.db2.gz QQGNHVLJBHNTSV-SNVBAGLBSA-N 2 2 297.407 -0.251 20 0 CBADLP C[NH2+]CCOCC[N@@H+](C)[C@H](C)c1nc(N)nc(N(C)C)n1 ZINC000629571138 419457487 /nfs/dbraw/zinc/45/74/87/419457487.db2.gz QQGNHVLJBHNTSV-SNVBAGLBSA-N 2 2 297.407 -0.251 20 0 CBADLP C[C@@H](c1nc(N)nc(N(C)C)n1)[N@H+](C)CCOCC[NH3+] ZINC000629576817 419458461 /nfs/dbraw/zinc/45/84/61/419458461.db2.gz DDDYEDMXHQQWKM-VIFPVBQESA-N 2 2 283.380 -0.512 20 0 CBADLP C[C@@H](c1nc(N)nc(N(C)C)n1)[N@@H+](C)CCOCC[NH3+] ZINC000629576817 419458466 /nfs/dbraw/zinc/45/84/66/419458466.db2.gz DDDYEDMXHQQWKM-VIFPVBQESA-N 2 2 283.380 -0.512 20 0 CBADLP C[C@H](NC(=O)N(C)CC1C[NH+](C)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000660933706 419460311 /nfs/dbraw/zinc/46/03/11/419460311.db2.gz FJRMWBPNFCIBLL-AAEUAGOBSA-N 2 2 284.404 -0.092 20 0 CBADLP C[C@H](NC(=O)N(C)CC1C[NH+](C)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000660933706 419460317 /nfs/dbraw/zinc/46/03/17/419460317.db2.gz FJRMWBPNFCIBLL-AAEUAGOBSA-N 2 2 284.404 -0.092 20 0 CBADLP CN(C)C(=O)C[NH+]1CCN(C(=O)CCC(C)(C)[NH3+])CC1 ZINC000070087451 419463777 /nfs/dbraw/zinc/46/37/77/419463777.db2.gz ZTEOSAHONDILIG-UHFFFAOYSA-N 2 2 284.404 -0.264 20 0 CBADLP CCOCC[NH+]1CCN(c2nc(C)[nH+]c(N)n2)CC1 ZINC000631100620 419469870 /nfs/dbraw/zinc/46/98/70/419469870.db2.gz ARNSVHKFYABWNH-UHFFFAOYSA-N 2 2 266.349 -0.079 20 0 CBADLP CCc1noc(C[N@H+](C)CCN2CC[NH2+]CC2)n1 ZINC000071150684 419470742 /nfs/dbraw/zinc/47/07/42/419470742.db2.gz LZPSHPOICWBHBC-UHFFFAOYSA-N 2 2 253.350 -0.031 20 0 CBADLP CCc1noc(C[N@@H+](C)CCN2CC[NH2+]CC2)n1 ZINC000071150684 419470750 /nfs/dbraw/zinc/47/07/50/419470750.db2.gz LZPSHPOICWBHBC-UHFFFAOYSA-N 2 2 253.350 -0.031 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](Cn3ccnn3)C2)CC1 ZINC000661149959 419473256 /nfs/dbraw/zinc/47/32/56/419473256.db2.gz ZKDOPWKGRQGISV-ZDUSSCGKSA-N 2 2 292.387 -0.626 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](Cn3ccnn3)C2)CC1 ZINC000661149959 419473264 /nfs/dbraw/zinc/47/32/64/419473264.db2.gz ZKDOPWKGRQGISV-ZDUSSCGKSA-N 2 2 292.387 -0.626 20 0 CBADLP CC(C)C[NH+]1CCN(C(=O)[C@H]2COCC[NH2+]2)CC1 ZINC000088371033 419474392 /nfs/dbraw/zinc/47/43/92/419474392.db2.gz MBXGMGUNKWRMPP-GFCCVEGCSA-N 2 2 255.362 -0.225 20 0 CBADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000382422399 544573816 /nfs/dbraw/zinc/57/38/16/544573816.db2.gz JDKWUFACOFDIKO-YNEHKIRRSA-N 2 2 269.389 -0.102 20 0 CBADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000382422399 544573818 /nfs/dbraw/zinc/57/38/18/544573818.db2.gz JDKWUFACOFDIKO-YNEHKIRRSA-N 2 2 269.389 -0.102 20 0 CBADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000382422399 544573820 /nfs/dbraw/zinc/57/38/20/544573820.db2.gz JDKWUFACOFDIKO-YNEHKIRRSA-N 2 2 269.389 -0.102 20 0 CBADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000382422399 544573822 /nfs/dbraw/zinc/57/38/22/544573822.db2.gz JDKWUFACOFDIKO-YNEHKIRRSA-N 2 2 269.389 -0.102 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661723928 419523506 /nfs/dbraw/zinc/52/35/06/419523506.db2.gz ZBLPNDPWSMVEBV-RWMBFGLXSA-N 2 2 258.362 -0.618 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661723928 419523511 /nfs/dbraw/zinc/52/35/11/419523511.db2.gz ZBLPNDPWSMVEBV-RWMBFGLXSA-N 2 2 258.362 -0.618 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661723928 419523523 /nfs/dbraw/zinc/52/35/23/419523523.db2.gz ZBLPNDPWSMVEBV-RWMBFGLXSA-N 2 2 258.362 -0.618 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1[C@H](C)O ZINC000661767817 419526547 /nfs/dbraw/zinc/52/65/47/419526547.db2.gz RNCBZOSJTNBCPG-RWMBFGLXSA-N 2 2 260.378 -0.229 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1[C@H](C)O ZINC000661767817 419526555 /nfs/dbraw/zinc/52/65/55/419526555.db2.gz RNCBZOSJTNBCPG-RWMBFGLXSA-N 2 2 260.378 -0.229 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]1[C@H](C)O ZINC000661767817 419526564 /nfs/dbraw/zinc/52/65/64/419526564.db2.gz RNCBZOSJTNBCPG-RWMBFGLXSA-N 2 2 260.378 -0.229 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]1[C@H](C)O ZINC000661767817 419526574 /nfs/dbraw/zinc/52/65/74/419526574.db2.gz RNCBZOSJTNBCPG-RWMBFGLXSA-N 2 2 260.378 -0.229 20 0 CBADLP C[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)[C@@H]1CO ZINC000189730670 419535029 /nfs/dbraw/zinc/53/50/29/419535029.db2.gz NCKSLHSWKAJBSL-VXGBXAGGSA-N 2 2 255.362 -0.537 20 0 CBADLP CC[NH+](CC)CCCN1CC[NH+](CC(N)=O)CC1 ZINC000191585799 419539245 /nfs/dbraw/zinc/53/92/45/419539245.db2.gz XRGLNWSDJZOZMC-UHFFFAOYSA-N 2 2 256.394 -0.179 20 0 CBADLP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](C[C@@H]2C[NH2+]CCO2)CC1 ZINC000662273286 419568316 /nfs/dbraw/zinc/56/83/16/419568316.db2.gz LCBINJGKOUXFRE-MJBXVCDLSA-N 3 2 269.389 -0.197 20 0 CBADLP C[C@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)C[C@]1(C)CO ZINC000662135266 419550090 /nfs/dbraw/zinc/55/00/90/419550090.db2.gz KVOAGGMCYBSSFD-GXTWGEPZSA-N 2 2 269.389 -0.289 20 0 CBADLP C[C@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)C[C@]1(C)CO ZINC000662135266 419550093 /nfs/dbraw/zinc/55/00/93/419550093.db2.gz KVOAGGMCYBSSFD-GXTWGEPZSA-N 2 2 269.389 -0.289 20 0 CBADLP C[C@H]([NH3+])C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000195177750 419559382 /nfs/dbraw/zinc/55/93/82/419559382.db2.gz NGEMVWSANRUNSM-CMPLNLGQSA-N 2 2 273.402 -0.342 20 0 CBADLP CC(=O)NC[C@H]1C[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000662254081 419561131 /nfs/dbraw/zinc/56/11/31/419561131.db2.gz FDLQGWOYTWXTHF-OLZOCXBDSA-N 2 2 283.372 -0.656 20 0 CBADLP CC(=O)NC[C@H]1C[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000662254081 419561135 /nfs/dbraw/zinc/56/11/35/419561135.db2.gz FDLQGWOYTWXTHF-OLZOCXBDSA-N 2 2 283.372 -0.656 20 0 CBADLP CS(=O)(=O)NC[C@H]1CCC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662250291 419562221 /nfs/dbraw/zinc/56/22/21/419562221.db2.gz DIRRXVHIVVKZDM-NEPJUHHUSA-N 2 2 291.417 -0.764 20 0 CBADLP CS(=O)(=O)NC[C@H]1CCC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662250291 419562230 /nfs/dbraw/zinc/56/22/30/419562230.db2.gz DIRRXVHIVVKZDM-NEPJUHHUSA-N 2 2 291.417 -0.764 20 0 CBADLP O=C(NC1CC1)[C@@H]1CCC[N@@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000662251313 419562693 /nfs/dbraw/zinc/56/26/93/419562693.db2.gz CNOQLPQUQZFNHV-RYUDHWBXSA-N 2 2 253.346 -0.282 20 0 CBADLP O=C(NC1CC1)[C@@H]1CCC[N@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000662251313 419562696 /nfs/dbraw/zinc/56/26/96/419562696.db2.gz CNOQLPQUQZFNHV-RYUDHWBXSA-N 2 2 253.346 -0.282 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)C[C@H]1COCCO1 ZINC000661615259 419506675 /nfs/dbraw/zinc/50/66/75/419506675.db2.gz XYMMIQHRJVVPBQ-STQMWFEESA-N 2 2 276.377 -0.727 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)C[C@H]1COCCO1 ZINC000661615259 419506676 /nfs/dbraw/zinc/50/66/76/419506676.db2.gz XYMMIQHRJVVPBQ-STQMWFEESA-N 2 2 276.377 -0.727 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)C[C@H]1COCCO1 ZINC000661615259 419506679 /nfs/dbraw/zinc/50/66/79/419506679.db2.gz XYMMIQHRJVVPBQ-STQMWFEESA-N 2 2 276.377 -0.727 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)C[C@H]1COCCO1 ZINC000661615259 419506680 /nfs/dbraw/zinc/50/66/80/419506680.db2.gz XYMMIQHRJVVPBQ-STQMWFEESA-N 2 2 276.377 -0.727 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)C[C@@H]1COCCO1 ZINC000661615256 419507399 /nfs/dbraw/zinc/50/73/99/419507399.db2.gz XYMMIQHRJVVPBQ-CHWSQXEVSA-N 2 2 276.377 -0.727 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)C[C@@H]1COCCO1 ZINC000661615256 419507408 /nfs/dbraw/zinc/50/74/08/419507408.db2.gz XYMMIQHRJVVPBQ-CHWSQXEVSA-N 2 2 276.377 -0.727 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)C[C@@H]1COCCO1 ZINC000661615256 419507416 /nfs/dbraw/zinc/50/74/16/419507416.db2.gz XYMMIQHRJVVPBQ-CHWSQXEVSA-N 2 2 276.377 -0.727 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)C[C@@H]1COCCO1 ZINC000661615256 419507425 /nfs/dbraw/zinc/50/74/25/419507425.db2.gz XYMMIQHRJVVPBQ-CHWSQXEVSA-N 2 2 276.377 -0.727 20 0 CBADLP C[NH+](C[C@H](O)C[N@@H+](C)C[C@@H]1COCCO1)C1CC1 ZINC000661612949 419507712 /nfs/dbraw/zinc/50/77/12/419507712.db2.gz DYWJOSZUCNFWFV-CHWSQXEVSA-N 2 2 258.362 -0.211 20 0 CBADLP C[NH+](C[C@H](O)C[N@H+](C)C[C@@H]1COCCO1)C1CC1 ZINC000661612949 419507720 /nfs/dbraw/zinc/50/77/20/419507720.db2.gz DYWJOSZUCNFWFV-CHWSQXEVSA-N 2 2 258.362 -0.211 20 0 CBADLP C[NH+](C[C@@H](O)C[N@H+](C)C1CC1)C[C@@H]1COCCO1 ZINC000661612949 419507731 /nfs/dbraw/zinc/50/77/31/419507731.db2.gz DYWJOSZUCNFWFV-CHWSQXEVSA-N 2 2 258.362 -0.211 20 0 CBADLP C[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)C[C@@H]1COCCO1 ZINC000661612949 419507738 /nfs/dbraw/zinc/50/77/38/419507738.db2.gz DYWJOSZUCNFWFV-CHWSQXEVSA-N 2 2 258.362 -0.211 20 0 CBADLP O=C(CC[C@H]1CC[NH2+]C1)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000394377588 544578274 /nfs/dbraw/zinc/57/82/74/544578274.db2.gz DMIDEXCTFSWMSD-KBPBESRZSA-N 2 2 280.416 -0.118 20 0 CBADLP O=C(CC[C@H]1CC[NH2+]C1)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000394377588 544578279 /nfs/dbraw/zinc/57/82/79/544578279.db2.gz DMIDEXCTFSWMSD-KBPBESRZSA-N 2 2 280.416 -0.118 20 0 CBADLP CN1CCC[C@@H]([N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1=O ZINC000662266792 419569500 /nfs/dbraw/zinc/56/95/00/419569500.db2.gz PDJSIAUSNDAHGO-CHWSQXEVSA-N 2 2 294.399 -0.497 20 0 CBADLP CN1CCC[C@@H]([N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1=O ZINC000662266792 419569511 /nfs/dbraw/zinc/56/95/11/419569511.db2.gz PDJSIAUSNDAHGO-CHWSQXEVSA-N 2 2 294.399 -0.497 20 0 CBADLP CC[NH+](CC)C[C@H]1CCN(C(=O)CN2CC[NH2+]CC2=O)C1 ZINC000236903058 419569735 /nfs/dbraw/zinc/56/97/35/419569735.db2.gz LZKQCUWHKSVRPY-CYBMUJFWSA-N 2 2 296.415 -0.392 20 0 CBADLP CC(C)C[C@@](C)(C[NH3+])NC(=O)CN1CC[NH2+]CC1=O ZINC000236665852 419570123 /nfs/dbraw/zinc/57/01/23/419570123.db2.gz VNCTZKNLGWEKII-ZDUSSCGKSA-N 2 2 270.377 -0.702 20 0 CBADLP COCCN1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662260409 419570156 /nfs/dbraw/zinc/57/01/56/419570156.db2.gz KYNYIVDXZUWZOB-ZDUSSCGKSA-N 2 2 269.389 -0.229 20 0 CBADLP CCC[C@@H]([NH3+])C(=O)NCC[NH+]1CCN(C(C)=O)CC1 ZINC000236945655 419570446 /nfs/dbraw/zinc/57/04/46/419570446.db2.gz LOCLVCYJSJQCFU-GFCCVEGCSA-N 2 2 270.377 -0.606 20 0 CBADLP COCCN1CC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1=O ZINC000662278866 419571002 /nfs/dbraw/zinc/57/10/02/419571002.db2.gz BNLMYSWORJRYFD-GFCCVEGCSA-N 2 2 283.372 -0.702 20 0 CBADLP COCCN1CC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1=O ZINC000662278866 419571009 /nfs/dbraw/zinc/57/10/09/419571009.db2.gz BNLMYSWORJRYFD-GFCCVEGCSA-N 2 2 283.372 -0.702 20 0 CBADLP O=C(C[NH2+]C1(CO)CC[NH2+]CC1)NCC1CCC1 ZINC000662285967 419571143 /nfs/dbraw/zinc/57/11/43/419571143.db2.gz COCMHYKTPFEESZ-UHFFFAOYSA-N 2 2 255.362 -0.393 20 0 CBADLP c1cn([C@H]2CCC[N@@H+](C[C@@H]3C[NH2+]CCO3)C2)nn1 ZINC000662282038 419571375 /nfs/dbraw/zinc/57/13/75/419571375.db2.gz BJJKBLKYBJVURQ-RYUDHWBXSA-N 2 2 251.334 -0.097 20 0 CBADLP c1cn([C@H]2CCC[N@H+](C[C@@H]3C[NH2+]CCO3)C2)nn1 ZINC000662282038 419571380 /nfs/dbraw/zinc/57/13/80/419571380.db2.gz BJJKBLKYBJVURQ-RYUDHWBXSA-N 2 2 251.334 -0.097 20 0 CBADLP c1cn([C@H]2CCC[N@@H+](C[C@H]3C[NH2+]CCO3)C2)nn1 ZINC000662282037 419574105 /nfs/dbraw/zinc/57/41/05/419574105.db2.gz BJJKBLKYBJVURQ-NWDGAFQWSA-N 2 2 251.334 -0.097 20 0 CBADLP c1cn([C@H]2CCC[N@H+](C[C@H]3C[NH2+]CCO3)C2)nn1 ZINC000662282037 419574113 /nfs/dbraw/zinc/57/41/13/419574113.db2.gz BJJKBLKYBJVURQ-NWDGAFQWSA-N 2 2 251.334 -0.097 20 0 CBADLP c1cnc(N[C@@H]2CC[N@@H+](C[C@H]3C[NH2+]CCO3)C2)nc1 ZINC000662282294 419574919 /nfs/dbraw/zinc/57/49/19/419574919.db2.gz FNSDJQIIQZBILV-VXGBXAGGSA-N 2 2 263.345 -0.049 20 0 CBADLP O=C(C1CC1)N1CCC[N@H+](C[C@H]2C[NH2+]CCO2)CC1 ZINC000662276166 419575732 /nfs/dbraw/zinc/57/57/32/419575732.db2.gz GFUWZARWVJWTDC-CYBMUJFWSA-N 2 2 267.373 -0.081 20 0 CBADLP O=C(C1CC1)N1CCC[N@@H+](C[C@H]2C[NH2+]CCO2)CC1 ZINC000662276166 419575738 /nfs/dbraw/zinc/57/57/38/419575738.db2.gz GFUWZARWVJWTDC-CYBMUJFWSA-N 2 2 267.373 -0.081 20 0 CBADLP [NH3+]CC[N@@H+](Cc1cccc(-n2cccn2)c1)C[C@@H](O)CO ZINC000662287836 419577862 /nfs/dbraw/zinc/57/78/62/419577862.db2.gz KOOZFXGVRJZHDD-OAHLLOKOSA-N 2 2 290.367 -0.014 20 0 CBADLP [NH3+]CC[N@H+](Cc1cccc(-n2cccn2)c1)C[C@@H](O)CO ZINC000662287836 419577870 /nfs/dbraw/zinc/57/78/70/419577870.db2.gz KOOZFXGVRJZHDD-OAHLLOKOSA-N 2 2 290.367 -0.014 20 0 CBADLP [NH3+]CC[N@H+](CCc1ccc2c(c1)CCO2)C[C@@H](O)CO ZINC000662288457 419579112 /nfs/dbraw/zinc/57/91/12/419579112.db2.gz HMYFUPWSCVBSRX-CQSZACIVSA-N 2 2 280.368 -0.222 20 0 CBADLP [NH3+]CC[N@@H+](CCc1ccc2c(c1)CCO2)C[C@@H](O)CO ZINC000662288457 419579119 /nfs/dbraw/zinc/57/91/19/419579119.db2.gz HMYFUPWSCVBSRX-CQSZACIVSA-N 2 2 280.368 -0.222 20 0 CBADLP C[C@H](CNC(=O)CN1CC[NH2+]CC1=O)C[NH+]1CCCCC1 ZINC000237403688 419580291 /nfs/dbraw/zinc/58/02/91/419580291.db2.gz GAHCCWPQRLOZOZ-CYBMUJFWSA-N 2 2 296.415 -0.344 20 0 CBADLP C[C@H](CC[NH+]1CCOCC1)NC(=O)[C@H]1COCC[NH2+]1 ZINC000237449950 419581593 /nfs/dbraw/zinc/58/15/93/419581593.db2.gz ZZDDACXHKXKABU-VXGBXAGGSA-N 2 2 271.361 -0.798 20 0 CBADLP C[C@@H](CNC(=O)CN1CC[NH2+]CC1=O)[N@@H+]1CCC[C@@H](C)C1 ZINC000237559994 419582756 /nfs/dbraw/zinc/58/27/56/419582756.db2.gz ITRXEDOWBYQIDX-OLZOCXBDSA-N 2 2 296.415 -0.345 20 0 CBADLP C[C@@H](CNC(=O)CN1CC[NH2+]CC1=O)[N@H+]1CCC[C@@H](C)C1 ZINC000237559994 419582759 /nfs/dbraw/zinc/58/27/59/419582759.db2.gz ITRXEDOWBYQIDX-OLZOCXBDSA-N 2 2 296.415 -0.345 20 0 CBADLP Cn1cc(C[N@H+](C)C[C@@H]2CCC3(C[NH2+]C3)O2)nn1 ZINC000662312837 419583176 /nfs/dbraw/zinc/58/31/76/419583176.db2.gz ZPSVNGJDKGTEGO-NSHDSACASA-N 2 2 251.334 -0.232 20 0 CBADLP Cn1cc(C[N@@H+](C)C[C@@H]2CCC3(C[NH2+]C3)O2)nn1 ZINC000662312837 419583184 /nfs/dbraw/zinc/58/31/84/419583184.db2.gz ZPSVNGJDKGTEGO-NSHDSACASA-N 2 2 251.334 -0.232 20 0 CBADLP CN(C)S(=O)(=O)CCC[N@@H+]1CC2CC1(C[NH3+])C2 ZINC000662304678 419583215 /nfs/dbraw/zinc/58/32/15/419583215.db2.gz ULTOQGYUGGQXPP-UHFFFAOYSA-N 2 2 261.391 -0.309 20 0 CBADLP CN(C)S(=O)(=O)CCC[N@H+]1CC2CC1(C[NH3+])C2 ZINC000662304678 419583222 /nfs/dbraw/zinc/58/32/22/419583222.db2.gz ULTOQGYUGGQXPP-UHFFFAOYSA-N 2 2 261.391 -0.309 20 0 CBADLP C[NH+](C)CCC[C@H]1C[N@@H+]([C@@H]2CCNC2=O)CCO1 ZINC000662321540 419584801 /nfs/dbraw/zinc/58/48/01/419584801.db2.gz RZYAXTCHTQDHEF-NWDGAFQWSA-N 2 2 255.362 -0.083 20 0 CBADLP C[NH+](C)CCC[C@H]1C[N@H+]([C@@H]2CCNC2=O)CCO1 ZINC000662321540 419584803 /nfs/dbraw/zinc/58/48/03/419584803.db2.gz RZYAXTCHTQDHEF-NWDGAFQWSA-N 2 2 255.362 -0.083 20 0 CBADLP Cn1cc(C[N@H+](C)CCC(=O)N2CC[NH2+]CC2)nn1 ZINC000662309747 419586099 /nfs/dbraw/zinc/58/60/99/419586099.db2.gz CXHFSCPMVFEHJC-UHFFFAOYSA-N 2 2 266.349 -0.931 20 0 CBADLP Cn1cc(C[N@@H+](C)CCC(=O)N2CC[NH2+]CC2)nn1 ZINC000662309747 419586109 /nfs/dbraw/zinc/58/61/09/419586109.db2.gz CXHFSCPMVFEHJC-UHFFFAOYSA-N 2 2 266.349 -0.931 20 0 CBADLP CC(C)([NH3+])CC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000646436694 419586647 /nfs/dbraw/zinc/58/66/47/419586647.db2.gz XGBYWKFKNBCBPH-UHFFFAOYSA-N 2 2 295.387 0.281 20 0 CBADLP C[NH2+]CCC[N@@H+]1C[C@@H]2[C@@H](OC)CS(=O)(=O)[C@@H]2C1 ZINC000662313884 419586674 /nfs/dbraw/zinc/58/66/74/419586674.db2.gz NBPDHESZQVFIMH-OUAUKWLOSA-N 2 2 262.375 -0.660 20 0 CBADLP C[NH2+]CCC[N@H+]1C[C@@H]2[C@@H](OC)CS(=O)(=O)[C@@H]2C1 ZINC000662313884 419586678 /nfs/dbraw/zinc/58/66/78/419586678.db2.gz NBPDHESZQVFIMH-OUAUKWLOSA-N 2 2 262.375 -0.660 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000238108854 419587548 /nfs/dbraw/zinc/58/75/48/419587548.db2.gz QKIKSYRAQDCUKE-LLVKDONJSA-N 2 2 280.372 -0.981 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000238108854 419587551 /nfs/dbraw/zinc/58/75/51/419587551.db2.gz QKIKSYRAQDCUKE-LLVKDONJSA-N 2 2 280.372 -0.981 20 0 CBADLP O=C(NCC[NH+]1CCOCC1)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662349646 419590053 /nfs/dbraw/zinc/59/00/53/419590053.db2.gz HQSUZQQKXRNYPO-NSHDSACASA-N 2 2 293.371 -0.451 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000647055760 419590847 /nfs/dbraw/zinc/59/08/47/419590847.db2.gz GFJDFHOTZIVDSV-LBPRGKRZSA-N 2 2 296.415 -0.299 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000647055760 419590857 /nfs/dbraw/zinc/59/08/57/419590857.db2.gz GFJDFHOTZIVDSV-LBPRGKRZSA-N 2 2 296.415 -0.299 20 0 CBADLP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@H]([NH3+])C2)C1 ZINC000647482259 419591544 /nfs/dbraw/zinc/59/15/44/419591544.db2.gz RFXWWTOYCUAWOB-NEPJUHHUSA-N 3 2 254.378 -0.393 20 0 CBADLP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CCC[C@H]([NH3+])C2)C1 ZINC000647482259 419591549 /nfs/dbraw/zinc/59/15/49/419591549.db2.gz RFXWWTOYCUAWOB-NEPJUHHUSA-N 3 2 254.378 -0.393 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@](CO)(OC)C1 ZINC000401813907 544586234 /nfs/dbraw/zinc/58/62/34/544586234.db2.gz WESZBTBGXFYXEF-CHWSQXEVSA-N 2 2 260.378 -0.228 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@](CO)(OC)C1 ZINC000401813907 544586238 /nfs/dbraw/zinc/58/62/38/544586238.db2.gz WESZBTBGXFYXEF-CHWSQXEVSA-N 2 2 260.378 -0.228 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@](CO)(OC)C1 ZINC000401813907 544586240 /nfs/dbraw/zinc/58/62/40/544586240.db2.gz WESZBTBGXFYXEF-CHWSQXEVSA-N 2 2 260.378 -0.228 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@](CO)(OC)C1 ZINC000401813907 544586242 /nfs/dbraw/zinc/58/62/42/544586242.db2.gz WESZBTBGXFYXEF-CHWSQXEVSA-N 2 2 260.378 -0.228 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)C[C@H](CO)C1 ZINC000398759918 544583431 /nfs/dbraw/zinc/58/34/31/544583431.db2.gz IBYYZVXMKSZIHF-IHRRRGAJSA-N 2 2 274.405 -0.124 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)C[C@H](CO)C1 ZINC000398759918 544583436 /nfs/dbraw/zinc/58/34/36/544583436.db2.gz IBYYZVXMKSZIHF-IHRRRGAJSA-N 2 2 274.405 -0.124 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](C)C[C@H](CO)C1 ZINC000398759918 544583441 /nfs/dbraw/zinc/58/34/41/544583441.db2.gz IBYYZVXMKSZIHF-IHRRRGAJSA-N 2 2 274.405 -0.124 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](C)C[C@H](CO)C1 ZINC000398759918 544583443 /nfs/dbraw/zinc/58/34/43/544583443.db2.gz IBYYZVXMKSZIHF-IHRRRGAJSA-N 2 2 274.405 -0.124 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](O)CC[C@H]1C ZINC000399216993 544583780 /nfs/dbraw/zinc/58/37/80/544583780.db2.gz ULPBZGJVDXMIPB-AGIUHOORSA-N 2 2 260.378 -0.229 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](O)CC[C@H]1C ZINC000399216993 544583785 /nfs/dbraw/zinc/58/37/85/544583785.db2.gz ULPBZGJVDXMIPB-AGIUHOORSA-N 2 2 260.378 -0.229 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](O)CC[C@H]1C ZINC000399216993 544583790 /nfs/dbraw/zinc/58/37/90/544583790.db2.gz ULPBZGJVDXMIPB-AGIUHOORSA-N 2 2 260.378 -0.229 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](O)CC[C@H]1C ZINC000399216993 544583793 /nfs/dbraw/zinc/58/37/93/544583793.db2.gz ULPBZGJVDXMIPB-AGIUHOORSA-N 2 2 260.378 -0.229 20 0 CBADLP COCCCOCCC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000662429663 419601436 /nfs/dbraw/zinc/60/14/36/419601436.db2.gz QPIBERYDANKGRM-GFCCVEGCSA-N 2 2 273.377 -0.469 20 0 CBADLP COCCCOCCC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000662429663 419601443 /nfs/dbraw/zinc/60/14/43/419601443.db2.gz QPIBERYDANKGRM-GFCCVEGCSA-N 2 2 273.377 -0.469 20 0 CBADLP C[N@@H+]1CCN(C(=O)Cc2cscn2)[C@@H](C[NH3+])C1 ZINC000662430402 419601639 /nfs/dbraw/zinc/60/16/39/419601639.db2.gz WGLDOCDPDNEQQX-JTQLQIEISA-N 2 2 254.359 -0.213 20 0 CBADLP C[N@H+]1CCN(C(=O)Cc2cscn2)[C@@H](C[NH3+])C1 ZINC000662430402 419601645 /nfs/dbraw/zinc/60/16/45/419601645.db2.gz WGLDOCDPDNEQQX-JTQLQIEISA-N 2 2 254.359 -0.213 20 0 CBADLP C[N@@H+]1CCN(C(=O)Cn2cc(C3CC3)cn2)[C@H](C[NH3+])C1 ZINC000662427881 419601798 /nfs/dbraw/zinc/60/17/98/419601798.db2.gz DIABOZUESIQCJK-CYBMUJFWSA-N 2 2 277.372 -0.138 20 0 CBADLP C[N@H+]1CCN(C(=O)Cn2cc(C3CC3)cn2)[C@H](C[NH3+])C1 ZINC000662427881 419601803 /nfs/dbraw/zinc/60/18/03/419601803.db2.gz DIABOZUESIQCJK-CYBMUJFWSA-N 2 2 277.372 -0.138 20 0 CBADLP Cn1cc(C[N@@H+]2CC[C@H]3CC[NH2+][C@H]3C2)c(=O)n(C)c1=O ZINC000647533042 419603081 /nfs/dbraw/zinc/60/30/81/419603081.db2.gz KFJHUQXSSZGFDK-PWSUYJOCSA-N 2 2 278.356 -0.732 20 0 CBADLP Cn1cc(C[N@H+]2CC[C@H]3CC[NH2+][C@H]3C2)c(=O)n(C)c1=O ZINC000647533042 419603084 /nfs/dbraw/zinc/60/30/84/419603084.db2.gz KFJHUQXSSZGFDK-PWSUYJOCSA-N 2 2 278.356 -0.732 20 0 CBADLP CC(C)OC[C@H]([NH3+])C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000662446511 419604755 /nfs/dbraw/zinc/60/47/55/419604755.db2.gz FJWGMXRTZZRFCA-XQQFMLRXSA-N 2 2 287.404 -0.036 20 0 CBADLP C[C@H]1C[NH2+]C[C@@H]([NH2+]C[C@H]2CCCN2S(C)(=O)=O)C1 ZINC000647549680 419606532 /nfs/dbraw/zinc/60/65/32/419606532.db2.gz NBKRJKYZJXYPHQ-GRYCIOLGSA-N 2 2 275.418 -0.002 20 0 CBADLP C[C@@H]1C[NH2+]C[C@H]([NH2+]C[C@H]2CCCN2S(C)(=O)=O)C1 ZINC000647549682 419606824 /nfs/dbraw/zinc/60/68/24/419606824.db2.gz NBKRJKYZJXYPHQ-QJPTWQEYSA-N 2 2 275.418 -0.002 20 0 CBADLP Cn1cc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)c(=O)n(C)c1=O ZINC000647553987 419607478 /nfs/dbraw/zinc/60/74/78/419607478.db2.gz ONJNZVCQDDNGEV-GFCCVEGCSA-N 2 2 292.383 -0.152 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000311081372 419618292 /nfs/dbraw/zinc/61/82/92/419618292.db2.gz WTVUJEPCHIKXAI-FRRDWIJNSA-N 3 2 257.378 -0.923 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000311081372 419618299 /nfs/dbraw/zinc/61/82/99/419618299.db2.gz WTVUJEPCHIKXAI-FRRDWIJNSA-N 3 2 257.378 -0.923 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000311081372 419618304 /nfs/dbraw/zinc/61/83/04/419618304.db2.gz WTVUJEPCHIKXAI-FRRDWIJNSA-N 3 2 257.378 -0.923 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000311081372 419618310 /nfs/dbraw/zinc/61/83/10/419618310.db2.gz WTVUJEPCHIKXAI-FRRDWIJNSA-N 3 2 257.378 -0.923 20 0 CBADLP COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1CCCc1c[nH+]cn1C ZINC000314321182 419623310 /nfs/dbraw/zinc/62/33/10/419623310.db2.gz HPVYDDFLXXIFQK-VXGBXAGGSA-N 2 2 267.329 -0.039 20 0 CBADLP COC(=O)[C@H]1C[C@@H](O)C[N@H+]1CCCc1c[nH+]cn1C ZINC000314321182 419623323 /nfs/dbraw/zinc/62/33/23/419623323.db2.gz HPVYDDFLXXIFQK-VXGBXAGGSA-N 2 2 267.329 -0.039 20 0 CBADLP C[C@H]1C[NH+](CCN2CC[NH+](CCO)CC2)C[C@H](C)O1 ZINC000314664292 419623476 /nfs/dbraw/zinc/62/34/76/419623476.db2.gz URNIYMGGGKUUIP-KBPBESRZSA-N 2 2 271.405 -0.295 20 0 CBADLP Cn1cnnc1[C@@H]1CCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000311757674 419626013 /nfs/dbraw/zinc/62/60/13/419626013.db2.gz DOXRNGXDWDLYPV-LBPRGKRZSA-N 2 2 264.377 -0.143 20 0 CBADLP Cn1cnnc1[C@@H]1CCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000311757674 419626021 /nfs/dbraw/zinc/62/60/21/419626021.db2.gz DOXRNGXDWDLYPV-LBPRGKRZSA-N 2 2 264.377 -0.143 20 0 CBADLP CC[C@H]([NH2+]C)C(=O)NCC[NH+]1CCN(C(C)=O)CC1 ZINC000662526095 419629822 /nfs/dbraw/zinc/62/98/22/419629822.db2.gz QUUKCBHFZYTFCH-LBPRGKRZSA-N 2 2 270.377 -0.735 20 0 CBADLP C[C@H](c1nc(N)nc(N(C)C)n1)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000647829758 419664647 /nfs/dbraw/zinc/66/46/47/419664647.db2.gz UVHHULJCBWVIQI-RKDXNWHRSA-N 2 2 265.365 -0.139 20 0 CBADLP C[C@H](c1nc(N)nc(N(C)C)n1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000647829758 419664658 /nfs/dbraw/zinc/66/46/58/419664658.db2.gz UVHHULJCBWVIQI-RKDXNWHRSA-N 2 2 265.365 -0.139 20 0 CBADLP C[C@@H](c1nc(N)nc(N(C)C)n1)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000647829756 419664915 /nfs/dbraw/zinc/66/49/15/419664915.db2.gz UVHHULJCBWVIQI-DTWKUNHWSA-N 2 2 265.365 -0.139 20 0 CBADLP C[C@@H](c1nc(N)nc(N(C)C)n1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000647829756 419664920 /nfs/dbraw/zinc/66/49/20/419664920.db2.gz UVHHULJCBWVIQI-DTWKUNHWSA-N 2 2 265.365 -0.139 20 0 CBADLP C[N@H+](CCC[NH3+])CC(=O)NCC(=O)N1CCCC1 ZINC000647849331 419669580 /nfs/dbraw/zinc/66/95/80/419669580.db2.gz PGIBDIJRZVFXAM-UHFFFAOYSA-N 2 2 256.350 -0.994 20 0 CBADLP C[N@@H+](CCC[NH3+])CC(=O)NCC(=O)N1CCCC1 ZINC000647849331 419669587 /nfs/dbraw/zinc/66/95/87/419669587.db2.gz PGIBDIJRZVFXAM-UHFFFAOYSA-N 2 2 256.350 -0.994 20 0 CBADLP O=C([C@@H]1C[C@]12CC[NH2+]C2)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000662657068 419671133 /nfs/dbraw/zinc/67/11/33/419671133.db2.gz WWKKIQAMLVFOEP-IPYPFGDCSA-N 2 2 279.384 -0.081 20 0 CBADLP CC(C)(CNC(=O)[C@@H]1CCO[C@@H]1C[NH3+])[NH+]1CCOCC1 ZINC000662661402 419672412 /nfs/dbraw/zinc/67/24/12/419672412.db2.gz BNTMOSFPMQITMQ-VXGBXAGGSA-N 2 2 285.388 -0.423 20 0 CBADLP O[C@@H](CNc1nc[nH+]c2c1OCCN2)C[NH+]1CCCCC1 ZINC000647856765 419673654 /nfs/dbraw/zinc/67/36/54/419673654.db2.gz QDGIBBGQYCPHHN-NSHDSACASA-N 2 2 293.371 0.540 20 0 CBADLP O[C@@H](CNc1[nH+]cnc2c1OCCN2)C[NH+]1CCCCC1 ZINC000647856765 419673662 /nfs/dbraw/zinc/67/36/62/419673662.db2.gz QDGIBBGQYCPHHN-NSHDSACASA-N 2 2 293.371 0.540 20 0 CBADLP Cc1cccc(C[NH+]2CCN(C(=O)C3(O)C[NH2+]C3)CC2)c1 ZINC000662663101 419675253 /nfs/dbraw/zinc/67/52/53/419675253.db2.gz FMKUBOOQYFYZMF-UHFFFAOYSA-N 2 2 289.379 -0.026 20 0 CBADLP C[C@@H]([NH3+])[C@@H]1C[N@H+](CCCN2C(=O)NC(C)(C)C2=O)CCO1 ZINC000647864619 419677639 /nfs/dbraw/zinc/67/76/39/419677639.db2.gz YGICWFSMLCFRMX-MNOVXSKESA-N 2 2 298.387 -0.245 20 0 CBADLP C[C@@H]([NH3+])[C@@H]1C[N@@H+](CCCN2C(=O)NC(C)(C)C2=O)CCO1 ZINC000647864619 419677645 /nfs/dbraw/zinc/67/76/45/419677645.db2.gz YGICWFSMLCFRMX-MNOVXSKESA-N 2 2 298.387 -0.245 20 0 CBADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000662671647 419679176 /nfs/dbraw/zinc/67/91/76/419679176.db2.gz PNNBMILIBQSFJT-IJLUTSLNSA-N 2 2 294.399 -0.465 20 0 CBADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)C1(O)C[NH2+]C1 ZINC000662670447 419679207 /nfs/dbraw/zinc/67/92/07/419679207.db2.gz KOVOWYRGBBMRFR-UHFFFAOYSA-N 2 2 286.335 -0.118 20 0 CBADLP O=C([C@H]1CCCO1)N1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000647872210 419681239 /nfs/dbraw/zinc/68/12/39/419681239.db2.gz HEPXLZIYGULBPI-CHWSQXEVSA-N 2 2 267.373 -0.081 20 0 CBADLP O=C(NCCCNc1cccc[nH+]1)C1(O)C[NH2+]C1 ZINC000662683470 419681621 /nfs/dbraw/zinc/68/16/21/419681621.db2.gz ZRMAEUHDQNUYGJ-UHFFFAOYSA-N 2 2 250.302 -0.666 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000662685324 419681814 /nfs/dbraw/zinc/68/18/14/419681814.db2.gz BJILDSSKHISYIQ-VWYCJHECSA-N 2 2 252.318 -0.248 20 0 CBADLP O=C(N1CCCC1)N1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000647874406 419682164 /nfs/dbraw/zinc/68/21/64/419682164.db2.gz RVALZVKDAJKCLE-UHFFFAOYSA-N 2 2 295.431 -0.275 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC2CC1(C[NH3+])C2 ZINC000662681469 419682465 /nfs/dbraw/zinc/68/24/65/419682465.db2.gz FQQSYWLPMXVVKM-UHFFFAOYSA-N 2 2 282.388 -0.608 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CC2CC1(C[NH3+])C2 ZINC000662681469 419682472 /nfs/dbraw/zinc/68/24/72/419682472.db2.gz FQQSYWLPMXVVKM-UHFFFAOYSA-N 2 2 282.388 -0.608 20 0 CBADLP Cc1ccn2cc(CNC(=O)C3(O)C[NH2+]C3)[nH+]c2c1 ZINC000662690070 419686366 /nfs/dbraw/zinc/68/63/66/419686366.db2.gz ZDUSPMAQQGAJJN-UHFFFAOYSA-N 2 2 260.297 -0.407 20 0 CBADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647909270 419688879 /nfs/dbraw/zinc/68/88/79/419688879.db2.gz MSEAHOREGKXGQQ-QWHCGFSZSA-N 3 2 266.389 -0.508 20 0 CBADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647909270 419688884 /nfs/dbraw/zinc/68/88/84/419688884.db2.gz MSEAHOREGKXGQQ-QWHCGFSZSA-N 3 2 266.389 -0.508 20 0 CBADLP CO[C@@H]1CC[N@H+](CCC(=O)N2CC[NH2+]CC2)[C@H](C[NH3+])C1 ZINC000647907028 419689241 /nfs/dbraw/zinc/68/92/41/419689241.db2.gz ZSEPPLBSIDYLLF-QWHCGFSZSA-N 3 2 284.404 -0.754 20 0 CBADLP CC[C@H]1C[N@H+](CCNS(=O)(=O)CC)CC[C@H]1[NH3+] ZINC000647937356 419691522 /nfs/dbraw/zinc/69/15/22/419691522.db2.gz WMEKSOONXCHAKN-WDEREUQCSA-N 2 2 263.407 -0.015 20 0 CBADLP CC[C@H]1C[N@@H+](CCNS(=O)(=O)CC)CC[C@H]1[NH3+] ZINC000647937356 419691526 /nfs/dbraw/zinc/69/15/26/419691526.db2.gz WMEKSOONXCHAKN-WDEREUQCSA-N 2 2 263.407 -0.015 20 0 CBADLP CC[C@H]1C[N@H+](CC(=O)NCC(=O)N2CCCC2)CC[C@@H]1[NH3+] ZINC000647938027 419693000 /nfs/dbraw/zinc/69/30/00/419693000.db2.gz GQHRVKXRYIPAFO-STQMWFEESA-N 2 2 296.415 -0.216 20 0 CBADLP CC[C@H]1C[N@@H+](CC(=O)NCC(=O)N2CCCC2)CC[C@@H]1[NH3+] ZINC000647938027 419693006 /nfs/dbraw/zinc/69/30/06/419693006.db2.gz GQHRVKXRYIPAFO-STQMWFEESA-N 2 2 296.415 -0.216 20 0 CBADLP C[NH2+]CCN(C)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000417525208 544591004 /nfs/dbraw/zinc/59/10/04/544591004.db2.gz TXYGLFXBLRCYCK-VXGBXAGGSA-N 2 2 272.393 -0.044 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@H]1C(=O)NC ZINC000647967047 419696730 /nfs/dbraw/zinc/69/67/30/419696730.db2.gz OBVGODQISQKQRE-RYUDHWBXSA-N 2 2 257.378 -0.101 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@H]1C(=O)NC ZINC000647967047 419696746 /nfs/dbraw/zinc/69/67/46/419696746.db2.gz OBVGODQISQKQRE-RYUDHWBXSA-N 2 2 257.378 -0.101 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@H]1C(=O)NC ZINC000647967047 419696755 /nfs/dbraw/zinc/69/67/55/419696755.db2.gz OBVGODQISQKQRE-RYUDHWBXSA-N 2 2 257.378 -0.101 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@H]1C(=O)NC ZINC000647967047 419696763 /nfs/dbraw/zinc/69/67/63/419696763.db2.gz OBVGODQISQKQRE-RYUDHWBXSA-N 2 2 257.378 -0.101 20 0 CBADLP Cn1cc[nH+]c1N1CC[NH+](CCc2c[nH]nn2)CC1 ZINC000647968931 419703345 /nfs/dbraw/zinc/70/33/45/419703345.db2.gz BPFLJLWQYPLICH-UHFFFAOYSA-N 2 2 261.333 -0.097 20 0 CBADLP Cn1cc[nH+]c1N1CC[NH+](CCc2cn[nH]n2)CC1 ZINC000647968931 419703356 /nfs/dbraw/zinc/70/33/56/419703356.db2.gz BPFLJLWQYPLICH-UHFFFAOYSA-N 2 2 261.333 -0.097 20 0 CBADLP CCNS(=O)(=O)[C@H]1CC[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647990951 419703813 /nfs/dbraw/zinc/70/38/13/419703813.db2.gz YWESQPBFJBISKN-QWRGUYRKSA-N 2 2 261.391 -0.391 20 0 CBADLP CCNS(=O)(=O)[C@H]1CC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647990951 419703818 /nfs/dbraw/zinc/70/38/18/419703818.db2.gz YWESQPBFJBISKN-QWRGUYRKSA-N 2 2 261.391 -0.391 20 0 CBADLP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C2(O)C[NH2+]C2)cc1 ZINC000662729126 419707834 /nfs/dbraw/zinc/70/78/34/419707834.db2.gz KBYRNUQAHXUPEN-UHFFFAOYSA-N 2 2 292.339 -0.541 20 0 CBADLP CO[C@]1(CO)CCC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000401973515 544586926 /nfs/dbraw/zinc/58/69/26/544586926.db2.gz QBLMNOIHDYVBDD-CQSZACIVSA-N 2 2 285.388 -0.766 20 0 CBADLP CO[C@]1(CO)CCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000401973515 544586931 /nfs/dbraw/zinc/58/69/31/544586931.db2.gz QBLMNOIHDYVBDD-CQSZACIVSA-N 2 2 285.388 -0.766 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C[C@H]1COCC[NH2+]1 ZINC000662632673 419657376 /nfs/dbraw/zinc/65/73/76/419657376.db2.gz SPCUDDMFWNXCJW-ZDUSSCGKSA-N 3 2 286.420 -0.635 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C[C@H]1COCC[NH2+]1 ZINC000662632673 419657384 /nfs/dbraw/zinc/65/73/84/419657384.db2.gz SPCUDDMFWNXCJW-ZDUSSCGKSA-N 3 2 286.420 -0.635 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]2CCC[NH2+]2)[C@H](C)CO1 ZINC000662631774 419657671 /nfs/dbraw/zinc/65/76/71/419657671.db2.gz VHQBZSVKLDQRHB-IJLUTSLNSA-N 2 2 255.362 -0.036 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2CCC[NH2+]2)[C@H](C)CO1 ZINC000662631774 419657679 /nfs/dbraw/zinc/65/76/79/419657679.db2.gz VHQBZSVKLDQRHB-IJLUTSLNSA-N 2 2 255.362 -0.036 20 0 CBADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)[C@H]1C[NH2+]CCO1 ZINC000662633998 419658124 /nfs/dbraw/zinc/65/81/24/419658124.db2.gz POJPWZNOUAVBRC-GRYCIOLGSA-N 2 2 271.361 -0.800 20 0 CBADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)[C@H]1C[NH2+]CCO1 ZINC000662633998 419658130 /nfs/dbraw/zinc/65/81/30/419658130.db2.gz POJPWZNOUAVBRC-GRYCIOLGSA-N 2 2 271.361 -0.800 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000662633516 419658388 /nfs/dbraw/zinc/65/83/88/419658388.db2.gz LWLCQFNNSPDYMZ-LBPRGKRZSA-N 3 2 256.394 -0.262 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000662633516 419658397 /nfs/dbraw/zinc/65/83/97/419658397.db2.gz LWLCQFNNSPDYMZ-LBPRGKRZSA-N 3 2 256.394 -0.262 20 0 CBADLP C[C@H]([NH3+])[C@H](C)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000662630594 419659288 /nfs/dbraw/zinc/65/92/88/419659288.db2.gz FZNKIVPESFTGII-RYUDHWBXSA-N 3 2 258.410 -0.031 20 0 CBADLP C[C@H]([NH3+])[C@H](C)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000662630594 419659293 /nfs/dbraw/zinc/65/92/93/419659293.db2.gz FZNKIVPESFTGII-RYUDHWBXSA-N 3 2 258.410 -0.031 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H](N)C(F)(F)F ZINC000662633268 419659566 /nfs/dbraw/zinc/65/95/66/419659566.db2.gz YIRDRRYOEMOEQY-VIFPVBQESA-N 2 2 284.326 -0.124 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H](N)C(F)(F)F ZINC000662633268 419659573 /nfs/dbraw/zinc/65/95/73/419659573.db2.gz YIRDRRYOEMOEQY-VIFPVBQESA-N 2 2 284.326 -0.124 20 0 CBADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)C1(O)C[NH2+]C1 ZINC000662796336 419729957 /nfs/dbraw/zinc/72/99/57/419729957.db2.gz XMFSCHMDVKWACA-JTQLQIEISA-N 2 2 262.313 -0.889 20 0 CBADLP CN(Cc1c[nH+]c[nH]1)C(=O)CN1CCCC[C@H]([NH3+])C1=O ZINC000662838471 419745687 /nfs/dbraw/zinc/74/56/87/419745687.db2.gz GVWZKSBLFIBFIO-NSHDSACASA-N 2 2 279.344 -0.292 20 0 CBADLP CN(Cc1c[nH]c[nH+]1)C(=O)CN1CCCC[C@H]([NH3+])C1=O ZINC000662838471 419745696 /nfs/dbraw/zinc/74/56/96/419745696.db2.gz GVWZKSBLFIBFIO-NSHDSACASA-N 2 2 279.344 -0.292 20 0 CBADLP O=C([C@@H]1C[NH2+]CCC1(F)F)N1CC[NH+](CCO)CC1 ZINC000648136241 419749702 /nfs/dbraw/zinc/74/97/02/419749702.db2.gz LCWUFEQZWBZPNO-JTQLQIEISA-N 2 2 277.315 -0.632 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)[C@@H](C)CO1 ZINC000662858767 419750838 /nfs/dbraw/zinc/75/08/38/419750838.db2.gz IAFXNDRPEZOKDF-YYHQMBLXSA-N 2 2 267.373 -0.038 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)[C@@H](C)CO1 ZINC000662858767 419750844 /nfs/dbraw/zinc/75/08/44/419750844.db2.gz IAFXNDRPEZOKDF-YYHQMBLXSA-N 2 2 267.373 -0.038 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000662857160 419751202 /nfs/dbraw/zinc/75/12/02/419751202.db2.gz GODSPYCTTKVAEN-UPJWGTAASA-N 3 2 268.405 -0.264 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000662857160 419751208 /nfs/dbraw/zinc/75/12/08/419751208.db2.gz GODSPYCTTKVAEN-UPJWGTAASA-N 3 2 268.405 -0.264 20 0 CBADLP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000662870899 419755721 /nfs/dbraw/zinc/75/57/21/419755721.db2.gz PGFRUICIQRZVBR-WUHRBBMRSA-N 2 2 265.357 -0.615 20 0 CBADLP [NH3+]C[C@@H]1OCC[C@H]1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000662870314 419756824 /nfs/dbraw/zinc/75/68/24/419756824.db2.gz CVWTWVGDLKSIHN-XQQFMLRXSA-N 2 2 283.372 -0.717 20 0 CBADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)CC2([NH3+])CCC2)CC1 ZINC000648150288 419759103 /nfs/dbraw/zinc/75/91/03/419759103.db2.gz MUKBEBIMLCFFBO-UHFFFAOYSA-N 2 2 296.415 -0.072 20 0 CBADLP CCNC(=O)C[N@H+]1CCCN(C(=O)CC2([NH3+])CCC2)CC1 ZINC000648150288 419759110 /nfs/dbraw/zinc/75/91/10/419759110.db2.gz MUKBEBIMLCFFBO-UHFFFAOYSA-N 2 2 296.415 -0.072 20 0 CBADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC1 ZINC000648150280 419760564 /nfs/dbraw/zinc/76/05/64/419760564.db2.gz LBXNSPSUPFZUKE-UPJWGTAASA-N 2 2 294.399 -0.593 20 0 CBADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC1 ZINC000648150280 419760571 /nfs/dbraw/zinc/76/05/71/419760571.db2.gz LBXNSPSUPFZUKE-UPJWGTAASA-N 2 2 294.399 -0.593 20 0 CBADLP C[C@H](C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)[NH+]1CCN(C)CC1 ZINC000662944930 419787147 /nfs/dbraw/zinc/78/71/47/419787147.db2.gz BSKBOCVEGPQMRS-IJLUTSLNSA-N 2 2 272.368 -0.480 20 0 CBADLP C[C@@H](NC(=O)COC1(C)C[NH2+]C1)c1[nH+]ccn1C ZINC000662934293 419780975 /nfs/dbraw/zinc/78/09/75/419780975.db2.gz MWLNQHITDJMCNY-SECBINFHSA-N 2 2 252.318 -0.024 20 0 CBADLP C[C@H]1C(=O)N(CC[NH+](C)C)CN1Cc1[nH+]ccn1C ZINC000648065184 419717474 /nfs/dbraw/zinc/71/74/74/419717474.db2.gz WWWKMNKJUPJGLR-NSHDSACASA-N 2 2 265.361 -0.028 20 0 CBADLP CC1(C)CC[NH2+][C@@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000662777318 419717669 /nfs/dbraw/zinc/71/76/69/419717669.db2.gz ANATUTDLDJPSIL-LLVKDONJSA-N 2 2 255.362 -0.489 20 0 CBADLP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H]1OCC[C@@H]1Cn1cc[nH+]c1 ZINC000662779966 419721078 /nfs/dbraw/zinc/72/10/78/419721078.db2.gz PKQYYMCYVKACQF-NAWOPXAZSA-N 2 2 276.340 -0.378 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000662787747 419723054 /nfs/dbraw/zinc/72/30/54/419723054.db2.gz CZCSDXGDIWXRCL-NEPJUHHUSA-N 2 2 271.361 -0.859 20 0 CBADLP [NH3+]CC12CC(C1)CN2C(=O)C(=O)N1CCn2c[nH+]cc2C1 ZINC000662976650 419804640 /nfs/dbraw/zinc/80/46/40/419804640.db2.gz PANSRUFKZVWWKQ-UHFFFAOYSA-N 2 2 289.339 -0.825 20 0 CBADLP COc1c(N)[nH+]cnc1N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000663238402 419830983 /nfs/dbraw/zinc/83/09/83/419830983.db2.gz ANISNRYUXVXBNI-SNVBAGLBSA-N 2 2 278.360 -0.449 20 0 CBADLP CCCN1CC[C@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)C1 ZINC000663366572 419834396 /nfs/dbraw/zinc/83/43/96/419834396.db2.gz WQBBBRODBZYZSI-LSDHHAIUSA-N 2 2 284.448 -0.331 20 0 CBADLP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)Cn1cc[nH+]c1 ZINC000649074866 419835451 /nfs/dbraw/zinc/83/54/51/419835451.db2.gz QYTFRPFETKGVKD-NSHDSACASA-N 2 2 279.344 -0.539 20 0 CBADLP C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000649211583 419852212 /nfs/dbraw/zinc/85/22/12/419852212.db2.gz VPLZVIVGEIQLHK-CHWSQXEVSA-N 2 2 292.383 -0.030 20 0 CBADLP CC[NH+]1CCN(C(=O)CNC(=O)Cc2c[nH+]cn2C)CC1 ZINC000649225116 419854420 /nfs/dbraw/zinc/85/44/20/419854420.db2.gz UEVOQBJPNFHEAG-UHFFFAOYSA-N 2 2 293.371 -0.757 20 0 CBADLP CC[NH+]1CCN(C(=O)CNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000649225172 419855164 /nfs/dbraw/zinc/85/51/64/419855164.db2.gz AXTDFCCQIDSJNK-ZDUSSCGKSA-N 2 2 296.415 -0.249 20 0 CBADLP CC[NH+]1CCN(C(=O)CNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000649225172 419855172 /nfs/dbraw/zinc/85/51/72/419855172.db2.gz AXTDFCCQIDSJNK-ZDUSSCGKSA-N 2 2 296.415 -0.249 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649293823 419866240 /nfs/dbraw/zinc/86/62/40/419866240.db2.gz KQDNRWPSKOSDIG-KKOKHZNYSA-N 2 2 253.346 -0.426 20 0 CBADLP Cc1cc(NC(=O)C[N@H+](C)CCOCC[NH3+])no1 ZINC000357022060 419881899 /nfs/dbraw/zinc/88/18/99/419881899.db2.gz AQCKOBNJWFUWAF-UHFFFAOYSA-N 2 2 256.306 -0.171 20 0 CBADLP Cc1cc(NC(=O)C[N@@H+](C)CCOCC[NH3+])no1 ZINC000357022060 419881905 /nfs/dbraw/zinc/88/19/05/419881905.db2.gz AQCKOBNJWFUWAF-UHFFFAOYSA-N 2 2 256.306 -0.171 20 0 CBADLP O=C([C@H]1CSC[NH2+]1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000649321353 419884883 /nfs/dbraw/zinc/88/48/83/419884883.db2.gz VAMACHVMIQIOTK-WOPDTQHZSA-N 2 2 285.413 -0.294 20 0 CBADLP c1nc(NCC[NH+]2CCSCC2)c2c([nH+]1)NCCO2 ZINC000665700861 544613492 /nfs/dbraw/zinc/61/34/92/544613492.db2.gz GZWULAXFSQXVJC-UHFFFAOYSA-N 2 2 281.385 -0.146 20 0 CBADLP [NH3+]CCCCC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000649280406 419860460 /nfs/dbraw/zinc/86/04/60/419860460.db2.gz PIHLBTWTCSRUOW-UHFFFAOYSA-N 2 2 296.415 -0.118 20 0 CBADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C(=O)NC1CC1 ZINC000664315623 419898660 /nfs/dbraw/zinc/89/86/60/419898660.db2.gz VCPZVSISCVDLPS-NSHDSACASA-N 2 2 284.404 -0.347 20 0 CBADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C(=O)NC1CC1 ZINC000664315623 419898664 /nfs/dbraw/zinc/89/86/64/419898664.db2.gz VCPZVSISCVDLPS-NSHDSACASA-N 2 2 284.404 -0.347 20 0 CBADLP Cc1[nH+]cc(CN(C)C[C@H](O)C[NH+]2CCOCC2)n1C ZINC000667659516 544668878 /nfs/dbraw/zinc/66/88/78/544668878.db2.gz JGIXDRUWRCPEPY-AWEZNQCLSA-N 2 2 282.388 -0.147 20 0 CBADLP C[C@@H](C(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C)[NH+](C)C ZINC000668041771 544683019 /nfs/dbraw/zinc/68/30/19/544683019.db2.gz WLMLKSDHZMAMKA-UTUOFQBUSA-N 2 2 257.378 -0.150 20 0 CBADLP CC(C)(CO)N1CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000649413569 419909958 /nfs/dbraw/zinc/90/99/58/419909958.db2.gz KHKGAZCNLSBFEQ-UHFFFAOYSA-N 2 2 298.431 -0.803 20 0 CBADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000649411288 419910030 /nfs/dbraw/zinc/91/00/30/419910030.db2.gz DLPFZIXWYNVPFR-OLZOCXBDSA-N 2 2 280.416 -0.119 20 0 CBADLP C[C@H](C(=O)NC1CC1)N1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000649411288 419910032 /nfs/dbraw/zinc/91/00/32/419910032.db2.gz DLPFZIXWYNVPFR-OLZOCXBDSA-N 2 2 280.416 -0.119 20 0 CBADLP Cc1cc(N2CC[C@@H]([N@H+](C)C[C@@H](O)C[NH3+])C2=O)n(C)n1 ZINC000649419797 419911033 /nfs/dbraw/zinc/91/10/33/419911033.db2.gz LYIUFJAZLWBUOY-WDEREUQCSA-N 2 2 281.360 -0.915 20 0 CBADLP Cc1cc(N2CC[C@@H]([N@@H+](C)C[C@@H](O)C[NH3+])C2=O)n(C)n1 ZINC000649419797 419911036 /nfs/dbraw/zinc/91/10/36/419911036.db2.gz LYIUFJAZLWBUOY-WDEREUQCSA-N 2 2 281.360 -0.915 20 0 CBADLP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCCn2cc[nH+]c2)C1 ZINC000668376529 544698341 /nfs/dbraw/zinc/69/83/41/544698341.db2.gz HRQVCLCXUAGSLD-LBPRGKRZSA-N 2 2 293.371 -0.400 20 0 CBADLP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NCCn2cc[nH+]c2)C1 ZINC000668376529 544698346 /nfs/dbraw/zinc/69/83/46/544698346.db2.gz HRQVCLCXUAGSLD-LBPRGKRZSA-N 2 2 293.371 -0.400 20 0 CBADLP COC[C@H](OC)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000668638914 544711926 /nfs/dbraw/zinc/71/19/26/544711926.db2.gz COHIJFZIDHVQMZ-JSGCOSHPSA-N 2 2 299.415 -0.068 20 0 CBADLP COC[C@H](OC)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000668638914 544711928 /nfs/dbraw/zinc/71/19/28/544711928.db2.gz COHIJFZIDHVQMZ-JSGCOSHPSA-N 2 2 299.415 -0.068 20 0 CBADLP CC1(C)C[N@H+](CCNC(=O)NC/C=C\C[NH3+])CCO1 ZINC000669439244 544749068 /nfs/dbraw/zinc/74/90/68/544749068.db2.gz BFLASCALIJONBA-ARJAWSKDSA-N 2 2 270.377 -0.089 20 0 CBADLP CC1(C)C[N@@H+](CCNC(=O)NC/C=C\C[NH3+])CCO1 ZINC000669439244 544749071 /nfs/dbraw/zinc/74/90/71/544749071.db2.gz BFLASCALIJONBA-ARJAWSKDSA-N 2 2 270.377 -0.089 20 0 CBADLP [NH3+]C[C@H]1CC[C@H](CNC(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000669518753 544752599 /nfs/dbraw/zinc/75/25/99/544752599.db2.gz GFIILKXBRDEVKP-HAQNSBGRSA-N 2 2 282.388 -0.701 20 0 CBADLP CCOC[C@@H](O)C[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649687843 419924337 /nfs/dbraw/zinc/92/43/37/419924337.db2.gz HRQGTURMPIOFBN-LBPRGKRZSA-N 2 2 273.377 -0.910 20 0 CBADLP CCOC[C@@H](O)C[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649687843 419924342 /nfs/dbraw/zinc/92/43/42/419924342.db2.gz HRQGTURMPIOFBN-LBPRGKRZSA-N 2 2 273.377 -0.910 20 0 CBADLP CC(C)NC(=O)CC[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649687823 419925301 /nfs/dbraw/zinc/92/53/01/419925301.db2.gz HBUOFIOEOHKMET-UHFFFAOYSA-N 2 2 284.404 -0.393 20 0 CBADLP CC(C)NC(=O)CC[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649687823 419925308 /nfs/dbraw/zinc/92/53/08/419925308.db2.gz HBUOFIOEOHKMET-UHFFFAOYSA-N 2 2 284.404 -0.393 20 0 CBADLP C[C@@H]1CN(C)C[C@H]1[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665292094 419938166 /nfs/dbraw/zinc/93/81/66/419938166.db2.gz SGSIAIJWVHLORH-PSASIEDQSA-N 2 2 251.334 -0.319 20 0 CBADLP CC(=O)N[C@H]1CCCN(C(=O)C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000359272885 419953488 /nfs/dbraw/zinc/95/34/88/419953488.db2.gz IYFLKBKLFZOIBZ-MJBXVCDLSA-N 2 2 294.399 -0.735 20 0 CBADLP CC(=O)N[C@H]1CCCN(C(=O)C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000359272885 419953493 /nfs/dbraw/zinc/95/34/93/419953493.db2.gz IYFLKBKLFZOIBZ-MJBXVCDLSA-N 2 2 294.399 -0.735 20 0 CBADLP CC(=O)N[C@@H]1CCCN(C(=O)C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000359272882 419954051 /nfs/dbraw/zinc/95/40/51/419954051.db2.gz IYFLKBKLFZOIBZ-MGPQQGTHSA-N 2 2 294.399 -0.735 20 0 CBADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000359295844 419955991 /nfs/dbraw/zinc/95/59/91/419955991.db2.gz XQRUYHCLSQYLSJ-LPWJVIDDSA-N 2 2 267.373 -0.179 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000359307697 419956224 /nfs/dbraw/zinc/95/62/24/419956224.db2.gz NYLNLXSQCBIMLC-MCIONIFRSA-N 3 2 280.416 -0.310 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000359307697 419956229 /nfs/dbraw/zinc/95/62/29/419956229.db2.gz NYLNLXSQCBIMLC-MCIONIFRSA-N 3 2 280.416 -0.310 20 0 CBADLP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CC[NH+](CC)CC1 ZINC000359291946 419957415 /nfs/dbraw/zinc/95/74/15/419957415.db2.gz RKGCCKQLKXAWPB-CYBMUJFWSA-N 2 2 298.431 -0.003 20 0 CBADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CC[NH+](CC)CC1 ZINC000359291946 419957418 /nfs/dbraw/zinc/95/74/18/419957418.db2.gz RKGCCKQLKXAWPB-CYBMUJFWSA-N 2 2 298.431 -0.003 20 0 CBADLP CN(CC(C)(C)CNC(=O)C[NH+](C)C)C(=O)C[NH+](C)C ZINC000359482919 419965383 /nfs/dbraw/zinc/96/53/83/419965383.db2.gz OYNKNLMFNNXMSM-UHFFFAOYSA-N 2 2 286.420 -0.290 20 0 CBADLP Cn1c[nH+]cc1CNC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000360119740 420006038 /nfs/dbraw/zinc/00/60/38/420006038.db2.gz QJPQUKROPIPALO-GFCCVEGCSA-N 2 2 269.349 -0.468 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1CSC[NH2+]1)N1CC[NH+](C)CC1 ZINC000360170040 420008313 /nfs/dbraw/zinc/00/83/13/420008313.db2.gz LTKYEILEKNDLGF-WDEREUQCSA-N 2 2 272.418 -0.599 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000364209996 420032366 /nfs/dbraw/zinc/03/23/66/420032366.db2.gz CGXVKHFEYFSBNG-YRGRVCCFSA-N 2 2 267.373 -0.177 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2C[C@@H](O)C3(CC3)C2)CC1 ZINC000364312232 420033992 /nfs/dbraw/zinc/03/39/92/420033992.db2.gz BNLDSRBMDDFJIW-QWHCGFSZSA-N 2 2 281.400 -0.004 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2C[C@@H](O)C3(CC3)C2)CC1 ZINC000364312232 420033997 /nfs/dbraw/zinc/03/39/97/420033997.db2.gz BNLDSRBMDDFJIW-QWHCGFSZSA-N 2 2 281.400 -0.004 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1C[C@]12CC[NH2+]C2)[NH+]1CCOCC1 ZINC000364591088 420041914 /nfs/dbraw/zinc/04/19/14/420041914.db2.gz RVVMIRLPFVPBOJ-DYEKYZERSA-N 2 2 267.373 -0.177 20 0 CBADLP C[C@H](CNC(=O)[C@H]1C[C@@]12CC[NH2+]C2)[NH+]1CCOCC1 ZINC000364591090 420044195 /nfs/dbraw/zinc/04/41/95/420044195.db2.gz RVVMIRLPFVPBOJ-YRGRVCCFSA-N 2 2 267.373 -0.177 20 0 CBADLP COC(=O)[C@H]1C[C@H](NC(=O)[C@@H]2CCC[NH2+]C2)C[NH2+]1 ZINC000365776507 420069766 /nfs/dbraw/zinc/06/97/66/420069766.db2.gz AOEFGJBNFHZYHX-KXUCPTDWSA-N 2 2 255.318 -0.994 20 0 CBADLP CCN1C[C@H](CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])CC1=O ZINC000652246558 420056081 /nfs/dbraw/zinc/05/60/81/420056081.db2.gz TXCYXMQUQBGHIM-RYUDHWBXSA-N 2 2 297.403 -0.861 20 0 CBADLP CCN1C[C@H](CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])CC1=O ZINC000652246558 420056082 /nfs/dbraw/zinc/05/60/82/420056082.db2.gz TXCYXMQUQBGHIM-RYUDHWBXSA-N 2 2 297.403 -0.861 20 0 CBADLP C[NH+](C)[C@@H]1CCC[N@H+](CC(=O)N2CCNC2=O)CC1 ZINC000365406978 420060127 /nfs/dbraw/zinc/06/01/27/420060127.db2.gz XNVLYQYGTNEHQB-LLVKDONJSA-N 2 2 268.361 -0.046 20 0 CBADLP C[NH+](C)[C@@H]1CCC[N@@H+](CC(=O)N2CCNC2=O)CC1 ZINC000365406978 420060133 /nfs/dbraw/zinc/06/01/33/420060133.db2.gz XNVLYQYGTNEHQB-LLVKDONJSA-N 2 2 268.361 -0.046 20 0 CBADLP C[NH+](C)[C@H]1CCC[N@H+](CC(=O)N2CCNC2=O)CC1 ZINC000365406979 420061339 /nfs/dbraw/zinc/06/13/39/420061339.db2.gz XNVLYQYGTNEHQB-NSHDSACASA-N 2 2 268.361 -0.046 20 0 CBADLP C[NH+](C)[C@H]1CCC[N@@H+](CC(=O)N2CCNC2=O)CC1 ZINC000365406979 420061342 /nfs/dbraw/zinc/06/13/42/420061342.db2.gz XNVLYQYGTNEHQB-NSHDSACASA-N 2 2 268.361 -0.046 20 0 CBADLP CCC[C@@](C)([NH3+])C(=O)N[C@@H]1C[NH2+][C@@H](C(=O)OC)C1 ZINC000365692411 420065796 /nfs/dbraw/zinc/06/57/96/420065796.db2.gz BFTIZOARVIIROR-YGOYTEALSA-N 2 2 257.334 -0.476 20 0 CBADLP COC(=O)[C@H]1C[C@H](NC(=O)C[C@@H]2CSCC[NH2+]2)C[NH2+]1 ZINC000365665746 420066683 /nfs/dbraw/zinc/06/66/83/420066683.db2.gz BFOXSRMSRLSCAK-IVZWLZJFSA-N 2 2 287.385 -0.899 20 0 CBADLP C[NH2+][C@@H](C)CNC(=O)c1cnn(CC[NH+]2CCOCC2)c1 ZINC000367349831 420103763 /nfs/dbraw/zinc/10/37/63/420103763.db2.gz QSJSFXLPRGNWQZ-LBPRGKRZSA-N 2 2 295.387 -0.447 20 0 CBADLP C[NH2+][C@H](C)CNC(=O)c1cnn(CC[NH+]2CCOCC2)c1 ZINC000367349830 420103770 /nfs/dbraw/zinc/10/37/70/420103770.db2.gz QSJSFXLPRGNWQZ-GFCCVEGCSA-N 2 2 295.387 -0.447 20 0 CBADLP COCCOCC[NH+]1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000652998048 420103960 /nfs/dbraw/zinc/10/39/60/420103960.db2.gz XJZGKYRGFBTGIT-UHFFFAOYSA-N 2 2 296.371 -0.310 20 0 CBADLP C[C@H]1CN(C(=O)CO)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000367454597 420105128 /nfs/dbraw/zinc/10/51/28/420105128.db2.gz SQLNLBVKLJOUCV-NSHDSACASA-N 2 2 255.362 -0.394 20 0 CBADLP C[C@H]1CN(C(=O)CO)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000367454597 420105132 /nfs/dbraw/zinc/10/51/32/420105132.db2.gz SQLNLBVKLJOUCV-NSHDSACASA-N 2 2 255.362 -0.394 20 0 CBADLP C[C@@H]1CCCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)[C@@H]1C[NH3+] ZINC000653052045 420111943 /nfs/dbraw/zinc/11/19/43/420111943.db2.gz SIBVMUMAZSKSLA-GRYCIOLGSA-N 3 2 256.394 -0.149 20 0 CBADLP C[N@@H+]1CCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])[C@H](C[NH3+])C1 ZINC000653054969 420112156 /nfs/dbraw/zinc/11/21/56/420112156.db2.gz DJIMHQULLKMTSG-QJPTWQEYSA-N 3 2 254.378 -0.395 20 0 CBADLP C[N@H+]1CCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])[C@H](C[NH3+])C1 ZINC000653054969 420112159 /nfs/dbraw/zinc/11/21/59/420112159.db2.gz DJIMHQULLKMTSG-QJPTWQEYSA-N 3 2 254.378 -0.395 20 0 CBADLP CCNC(=O)CN(CC)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653070615 420112908 /nfs/dbraw/zinc/11/29/08/420112908.db2.gz CLZWFFQOLHPVBC-JTQLQIEISA-N 2 2 258.366 -0.750 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@@H](O)COc1ccccc1 ZINC000653073239 420113167 /nfs/dbraw/zinc/11/31/67/420113167.db2.gz WPZDRBANZHOUHI-OCCSQVGLSA-N 2 2 295.383 -0.179 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NC1CC1 ZINC000653071935 420113251 /nfs/dbraw/zinc/11/32/51/420113251.db2.gz XTKQMIXYZWEMGA-RYUDHWBXSA-N 2 2 282.388 -0.465 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000653082187 420115467 /nfs/dbraw/zinc/11/54/67/420115467.db2.gz LYSLGMRSZNZFRJ-TUAOUCFPSA-N 2 2 282.388 -0.465 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@@H]2CCC[NH2+]CC2)CC1 ZINC000653109756 420116538 /nfs/dbraw/zinc/11/65/38/420116538.db2.gz LRGAHCBAMBFXGT-CQSZACIVSA-N 2 2 296.415 -0.344 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000653112280 420116701 /nfs/dbraw/zinc/11/67/01/420116701.db2.gz SXSAMCMYMWJJTG-RYUDHWBXSA-N 3 2 256.394 -0.278 20 0 CBADLP O=C(NCC[NH+]1CCOCC1)[C@@H]1CCC[NH2+]CC1 ZINC000653105210 420117028 /nfs/dbraw/zinc/11/70/28/420117028.db2.gz KVZLPSSDCOMCMT-GFCCVEGCSA-N 2 2 255.362 -0.176 20 0 CBADLP C[NH+](C)CC[C@H](N)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000653112116 420117259 /nfs/dbraw/zinc/11/72/59/420117259.db2.gz MFASXCZUZQORJB-KBPBESRZSA-N 2 2 298.431 -0.411 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653110053 420117265 /nfs/dbraw/zinc/11/72/65/420117265.db2.gz WOAWWIYEYWKIKK-DYEKYZERSA-N 2 2 283.372 -0.941 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000653112279 420117540 /nfs/dbraw/zinc/11/75/40/420117540.db2.gz SXSAMCMYMWJJTG-NWDGAFQWSA-N 3 2 256.394 -0.278 20 0 CBADLP C[C@H](NC(=O)[C@@H](N)CC[NH+](C)C)[C@H](C)[NH+]1CCOCC1 ZINC000653117325 420118281 /nfs/dbraw/zinc/11/82/81/420118281.db2.gz IQPQRLCRJHHBCM-AVGNSLFASA-N 2 2 286.420 -0.509 20 0 CBADLP C[C@H]1[NH2+]CCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000367990773 420118348 /nfs/dbraw/zinc/11/83/48/420118348.db2.gz YVQOQNACNLUAIV-MGPQQGTHSA-N 2 2 299.415 -0.474 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000653120095 420118465 /nfs/dbraw/zinc/11/84/65/420118465.db2.gz FXCSJHNOYOXCCM-CYBMUJFWSA-N 3 2 268.405 -0.038 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000653120096 420118551 /nfs/dbraw/zinc/11/85/51/420118551.db2.gz FXCSJHNOYOXCCM-ZDUSSCGKSA-N 3 2 268.405 -0.038 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)C[NH+]1CCOCC1 ZINC000653114767 420119257 /nfs/dbraw/zinc/11/92/57/420119257.db2.gz WCDJVUIZGMBRAX-STQMWFEESA-N 3 2 286.420 -0.650 20 0 CBADLP C[C@@H](CNC(=O)[C@H]([NH3+])CC[NH+](C)C)[N@H+](C)C1CC1 ZINC000653116706 420120554 /nfs/dbraw/zinc/12/05/54/420120554.db2.gz PLPJSUFOPJTFJB-CMPLNLGQSA-N 3 2 256.394 -0.136 20 0 CBADLP C[C@@H](CNC(=O)[C@H]([NH3+])CC[NH+](C)C)[N@@H+](C)C1CC1 ZINC000653116706 420120557 /nfs/dbraw/zinc/12/05/57/420120557.db2.gz PLPJSUFOPJTFJB-CMPLNLGQSA-N 3 2 256.394 -0.136 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000653140360 420121901 /nfs/dbraw/zinc/12/19/01/420121901.db2.gz ZWIMJXCSALBDOB-NEPJUHHUSA-N 3 2 256.394 -0.005 20 0 CBADLP CN(Cc1[nH+]ccn1C)C(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653148027 420123353 /nfs/dbraw/zinc/12/33/53/420123353.db2.gz LKOWLWNZXSGDLR-GWCFXTLKSA-N 2 2 264.329 -0.386 20 0 CBADLP CN(C[C@H]1CCC[C@@H]1O)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653157135 420124053 /nfs/dbraw/zinc/12/40/53/420124053.db2.gz VQIDVYNDJGWFLL-WOPDTQHZSA-N 2 2 257.378 -0.115 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C[C@@]1(C)C[NH3+] ZINC000653162902 420124278 /nfs/dbraw/zinc/12/42/78/420124278.db2.gz SDNSWUQFYHTYNN-NTZNESFSSA-N 3 2 256.394 -0.291 20 0 CBADLP CN(C)c1ncc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)cn1 ZINC000653156881 420124490 /nfs/dbraw/zinc/12/44/90/420124490.db2.gz OHOSTDYSXRCFNM-SNVBAGLBSA-N 2 2 266.349 -0.240 20 0 CBADLP CCC[C@@H]1C(=O)NCCN1C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653153712 420124560 /nfs/dbraw/zinc/12/45/60/420124560.db2.gz XQJYWWCJTDJTGQ-GHMZBOCLSA-N 2 2 270.377 -0.608 20 0 CBADLP CCO[C@@H]1C[C@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)[C@@H]1OC ZINC000653159887 420124712 /nfs/dbraw/zinc/12/47/12/420124712.db2.gz RLMXWODLKDFZKI-KXNHARMFSA-N 2 2 273.377 -0.426 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCO[C@H](C(=O)C2CC2)C1 ZINC000653160145 420124797 /nfs/dbraw/zinc/12/47/97/420124797.db2.gz ZHJNMOMTJVRDPT-NEPJUHHUSA-N 2 2 283.372 -0.528 20 0 CBADLP C[C@@H]1CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C[C@H]1C[NH3+] ZINC000653163002 420125170 /nfs/dbraw/zinc/12/51/70/420125170.db2.gz AIRIXWATPZSXSC-UTUOFQBUSA-N 3 2 256.394 -0.291 20 0 CBADLP CCN1C[C@@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)CC1=O ZINC000653168369 420126123 /nfs/dbraw/zinc/12/61/23/420126123.db2.gz ZYADOIPJKPPUOI-UWVGGRQHSA-N 2 2 256.350 -0.998 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000653193019 420126156 /nfs/dbraw/zinc/12/61/56/420126156.db2.gz ADVQVHSHNIGKPT-OBJOEFQTSA-N 3 2 268.405 -0.147 20 0 CBADLP CC[N@@H+]1CCOC[C@@H]1C(=O)NCC[NH+](C)C1CC1 ZINC000368466701 420131944 /nfs/dbraw/zinc/13/19/44/420131944.db2.gz NXAFAWOGMXFCJA-GFCCVEGCSA-N 2 2 255.362 -0.083 20 0 CBADLP CC[N@H+]1CCOC[C@@H]1C(=O)NCC[NH+](C)C1CC1 ZINC000368466701 420131948 /nfs/dbraw/zinc/13/19/48/420131948.db2.gz NXAFAWOGMXFCJA-GFCCVEGCSA-N 2 2 255.362 -0.083 20 0 CBADLP CC[NH+]1CCOC[C@@H]1C(=O)NCC[N@H+](C)C1CC1 ZINC000368466701 420131952 /nfs/dbraw/zinc/13/19/52/420131952.db2.gz NXAFAWOGMXFCJA-GFCCVEGCSA-N 2 2 255.362 -0.083 20 0 CBADLP CC[NH+]1CCOC[C@@H]1C(=O)NCC[N@@H+](C)C1CC1 ZINC000368466701 420131955 /nfs/dbraw/zinc/13/19/55/420131955.db2.gz NXAFAWOGMXFCJA-GFCCVEGCSA-N 2 2 255.362 -0.083 20 0 CBADLP COCCOCC[NH+]1CCN(C(=O)C[C@H]2CCC[NH2+]2)CC1 ZINC000653276153 420133299 /nfs/dbraw/zinc/13/32/99/420133299.db2.gz WRBJBAYMUOOQCN-CQSZACIVSA-N 2 2 299.415 -0.064 20 0 CBADLP COCCOCC[NH+]1CCN(C(=O)CCCC[NH3+])CC1 ZINC000653276006 420133519 /nfs/dbraw/zinc/13/35/19/420133519.db2.gz UAFSDMHCAMKUJS-UHFFFAOYSA-N 2 2 287.404 -0.077 20 0 CBADLP COCCOCC[NH+]1CCN(C(=O)[C@@H](C)[C@H](C)[NH3+])CC1 ZINC000653275694 420134602 /nfs/dbraw/zinc/13/46/02/420134602.db2.gz LNXFXUVNZVUURI-STQMWFEESA-N 2 2 287.404 -0.223 20 0 CBADLP COCCOCC[NH+]1CCN(C(=O)[C@H]2CCCC[NH2+]2)CC1 ZINC000653275995 420134817 /nfs/dbraw/zinc/13/48/17/420134817.db2.gz SXDQHVVCKACYNX-CQSZACIVSA-N 2 2 299.415 -0.064 20 0 CBADLP COCCOCC[NH+]1CCN(C(=O)[C@@H]2CC[NH2+][C@@H]2C)CC1 ZINC000653275859 420134829 /nfs/dbraw/zinc/13/48/29/420134829.db2.gz PGDKRNUNIOTVTA-ZIAGYGMSSA-N 2 2 299.415 -0.208 20 0 CBADLP C[NH+](C)CCN1C(=O)C[C@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)C1=O ZINC000653285115 420137208 /nfs/dbraw/zinc/13/72/08/420137208.db2.gz DFNKTIYDEQQAKA-OLZOCXBDSA-N 3 2 296.415 -0.393 20 0 CBADLP C[NH+](C)CCN1C(=O)C[C@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)C1=O ZINC000653285115 420137213 /nfs/dbraw/zinc/13/72/13/420137213.db2.gz DFNKTIYDEQQAKA-OLZOCXBDSA-N 3 2 296.415 -0.393 20 0 CBADLP C[NH+](C)CC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000368662148 420140112 /nfs/dbraw/zinc/14/01/12/420140112.db2.gz HFZQHHHKOYBYPZ-RYUDHWBXSA-N 2 2 255.362 -0.394 20 0 CBADLP COC(=O)[C@H]1C[C@H](NC(=O)[C@@](C)([NH3+])c2ccccc2)C[NH2+]1 ZINC000365969783 420073156 /nfs/dbraw/zinc/07/31/56/420073156.db2.gz POKAWUGBXPJLFN-ZOWXZIJZSA-N 2 2 291.351 -0.120 20 0 CBADLP O=C(NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1)[C@H]1COCC[NH2+]1 ZINC000366343626 420083313 /nfs/dbraw/zinc/08/33/13/420083313.db2.gz BLKYNAQPLGRWJV-MJBXVCDLSA-N 2 2 297.399 -0.408 20 0 CBADLP O=C(NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1)[C@@H]1COCC[NH2+]1 ZINC000366343625 420083595 /nfs/dbraw/zinc/08/35/95/420083595.db2.gz BLKYNAQPLGRWJV-MELADBBJSA-N 2 2 297.399 -0.408 20 0 CBADLP NC(=O)C1([NH+]2CCN(C(=O)[C@H]3CC[NH2+]C3)CC2)CCCC1 ZINC000366330484 420083862 /nfs/dbraw/zinc/08/38/62/420083862.db2.gz CFSKNPYDXHTUEA-LBPRGKRZSA-N 2 2 294.399 -0.462 20 0 CBADLP NC(=O)C1([NH+]2CCN(C(=O)[C@@H]3CC[NH2+]C3)CC2)CCCC1 ZINC000366330483 420083947 /nfs/dbraw/zinc/08/39/47/420083947.db2.gz CFSKNPYDXHTUEA-GFCCVEGCSA-N 2 2 294.399 -0.462 20 0 CBADLP C[NH+](C)CCNC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000366556013 420088699 /nfs/dbraw/zinc/08/86/99/420088699.db2.gz NXVQHGRDHMCQJT-LBPRGKRZSA-N 2 2 270.377 -0.290 20 0 CBADLP C[NH+](C)CCNC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000366556013 420088703 /nfs/dbraw/zinc/08/87/03/420088703.db2.gz NXVQHGRDHMCQJT-LBPRGKRZSA-N 2 2 270.377 -0.290 20 0 CBADLP C[C@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)C[C@@]2(CCOC2)O1 ZINC000366575705 420089302 /nfs/dbraw/zinc/08/93/02/420089302.db2.gz QYNDJPRPFRJGCS-DZGCQCFKSA-N 2 2 297.399 -0.360 20 0 CBADLP C[C@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)C[C@@]2(CCOC2)O1 ZINC000366575705 420089306 /nfs/dbraw/zinc/08/93/06/420089306.db2.gz QYNDJPRPFRJGCS-DZGCQCFKSA-N 2 2 297.399 -0.360 20 0 CBADLP CC[N@H+](CC(=O)N1CCC[NH+](CC(N)=O)CC1)C1CC1 ZINC000366652332 420091854 /nfs/dbraw/zinc/09/18/54/420091854.db2.gz KMGWBAUKVZKLHP-UHFFFAOYSA-N 2 2 282.388 -0.510 20 0 CBADLP CC[N@@H+](CC(=O)N1CCC[NH+](CC(N)=O)CC1)C1CC1 ZINC000366652332 420091859 /nfs/dbraw/zinc/09/18/59/420091859.db2.gz KMGWBAUKVZKLHP-UHFFFAOYSA-N 2 2 282.388 -0.510 20 0 CBADLP CC[NH+](CC(=O)N1CCC[N@H+](CC(N)=O)CC1)C1CC1 ZINC000366652332 420091862 /nfs/dbraw/zinc/09/18/62/420091862.db2.gz KMGWBAUKVZKLHP-UHFFFAOYSA-N 2 2 282.388 -0.510 20 0 CBADLP CC[NH+](CC(=O)N1CCC[N@@H+](CC(N)=O)CC1)C1CC1 ZINC000366652332 420091869 /nfs/dbraw/zinc/09/18/69/420091869.db2.gz KMGWBAUKVZKLHP-UHFFFAOYSA-N 2 2 282.388 -0.510 20 0 CBADLP O=C(NCC1([NH+]2CCOCC2)CCCC1)[C@H]1COCC[NH2+]1 ZINC000370780023 420186837 /nfs/dbraw/zinc/18/68/37/420186837.db2.gz QDUHCNMRLTVJQF-CYBMUJFWSA-N 2 2 297.399 -0.264 20 0 CBADLP O=C([C@H]1CC[NH2+]1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000384777675 420200618 /nfs/dbraw/zinc/20/06/18/420200618.db2.gz JLPJWRPWLODPBS-NWDGAFQWSA-N 2 2 253.346 -0.329 20 0 CBADLP COC[C@@]1(C(=O)NCCn2cc[nH+]c2)CC[NH2+]C1 ZINC000385650182 420202566 /nfs/dbraw/zinc/20/25/66/420202566.db2.gz AMPSGWDXLRMOIR-GFCCVEGCSA-N 2 2 252.318 -0.375 20 0 CBADLP C[NH2+][C@@H](C)c1cn(CC(=O)N2CC[NH+](C)CC2)nn1 ZINC000388309239 420205211 /nfs/dbraw/zinc/20/52/11/420205211.db2.gz IDBSSABAQVVHCV-JTQLQIEISA-N 2 2 266.349 -0.668 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000672992483 544865620 /nfs/dbraw/zinc/86/56/20/544865620.db2.gz HTYCNAMVOBVNEE-GFCCVEGCSA-N 2 2 278.356 -0.104 20 0 CBADLP CC[NH+](CC)CC(=O)N1CCC[N@H+](CC(=O)NC)CC1 ZINC000368839299 420143603 /nfs/dbraw/zinc/14/36/03/420143603.db2.gz SRANHSALLPKCOS-UHFFFAOYSA-N 2 2 284.404 -0.392 20 0 CBADLP CC[NH+](CC)CC(=O)N1CCC[N@@H+](CC(=O)NC)CC1 ZINC000368839299 420143608 /nfs/dbraw/zinc/14/36/08/420143608.db2.gz SRANHSALLPKCOS-UHFFFAOYSA-N 2 2 284.404 -0.392 20 0 CBADLP Cn1[nH]cnc1=NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000653467157 420145193 /nfs/dbraw/zinc/14/51/93/420145193.db2.gz DVGWBXJYIJYDQG-UHFFFAOYSA-N 2 2 252.366 -0.325 20 0 CBADLP CC[N@H+](CCO)CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000368964976 420146580 /nfs/dbraw/zinc/14/65/80/420146580.db2.gz IIWUISMDLIBSLL-LBPRGKRZSA-N 2 2 280.372 -0.124 20 0 CBADLP O=C(NCCn1cc[nH+]c1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000653479004 420146636 /nfs/dbraw/zinc/14/66/36/420146636.db2.gz YYKUPZXCVLFSGM-NWDGAFQWSA-N 2 2 279.344 -0.657 20 0 CBADLP O=C(NCCn1cc[nH+]c1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000653479004 420146639 /nfs/dbraw/zinc/14/66/39/420146639.db2.gz YYKUPZXCVLFSGM-NWDGAFQWSA-N 2 2 279.344 -0.657 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)CCN1CCCC1=O ZINC000653556292 420148451 /nfs/dbraw/zinc/14/84/51/420148451.db2.gz YVWWQAOVVYMPPZ-CYBMUJFWSA-N 2 2 287.404 -0.520 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)CCN1CCCC1=O ZINC000653556292 420148453 /nfs/dbraw/zinc/14/84/53/420148453.db2.gz YVWWQAOVVYMPPZ-CYBMUJFWSA-N 2 2 287.404 -0.520 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)CCN1CCCC1=O ZINC000653556292 420148456 /nfs/dbraw/zinc/14/84/56/420148456.db2.gz YVWWQAOVVYMPPZ-CYBMUJFWSA-N 2 2 287.404 -0.520 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)CCN1CCCC1=O ZINC000653556292 420148459 /nfs/dbraw/zinc/14/84/59/420148459.db2.gz YVWWQAOVVYMPPZ-CYBMUJFWSA-N 2 2 287.404 -0.520 20 0 CBADLP O=C1CCC(=O)N1CC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000653644816 420154769 /nfs/dbraw/zinc/15/47/69/420154769.db2.gz PXVNDKBRJVXQFQ-UHFFFAOYSA-N 2 2 277.328 -0.319 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@](O)(CC(N)=O)C1 ZINC000653773122 420162013 /nfs/dbraw/zinc/16/20/13/420162013.db2.gz ZGJMMGYCCRGUHM-DGCLKSJQSA-N 2 2 273.377 -0.999 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@](O)(CC(N)=O)C1 ZINC000653773122 420162018 /nfs/dbraw/zinc/16/20/18/420162018.db2.gz ZGJMMGYCCRGUHM-DGCLKSJQSA-N 2 2 273.377 -0.999 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@](O)(CC(N)=O)C1 ZINC000653773122 420162023 /nfs/dbraw/zinc/16/20/23/420162023.db2.gz ZGJMMGYCCRGUHM-DGCLKSJQSA-N 2 2 273.377 -0.999 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@](O)(CC(N)=O)C1 ZINC000653773122 420162029 /nfs/dbraw/zinc/16/20/29/420162029.db2.gz ZGJMMGYCCRGUHM-DGCLKSJQSA-N 2 2 273.377 -0.999 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+](C[C@@H](C)O)C1CC1 ZINC000653903013 420170991 /nfs/dbraw/zinc/17/09/91/420170991.db2.gz CCXJDIKIJGPURG-YPMHNXCESA-N 2 2 260.378 -0.229 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C[C@@H](C)O)C1CC1 ZINC000653903013 420170994 /nfs/dbraw/zinc/17/09/94/420170994.db2.gz CCXJDIKIJGPURG-YPMHNXCESA-N 2 2 260.378 -0.229 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+](C[C@@H](C)O)C1CC1 ZINC000653903013 420170998 /nfs/dbraw/zinc/17/09/98/420170998.db2.gz CCXJDIKIJGPURG-YPMHNXCESA-N 2 2 260.378 -0.229 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C[C@@H](C)O)C1CC1 ZINC000653903013 420171001 /nfs/dbraw/zinc/17/10/01/420171001.db2.gz CCXJDIKIJGPURG-YPMHNXCESA-N 2 2 260.378 -0.229 20 0 CBADLP C[NH+](C)CCn1ccc(C(=O)NCC[NH+]2CCOCC2)n1 ZINC000654373955 420175949 /nfs/dbraw/zinc/17/59/49/420175949.db2.gz QGLFBDYZHOGQDW-UHFFFAOYSA-N 2 2 295.387 -0.493 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@H](C)[NH+]2CC(C)C2)CC1 ZINC000654505974 420182682 /nfs/dbraw/zinc/18/26/82/420182682.db2.gz LXFOKVTZYKWHGW-ZDUSSCGKSA-N 2 2 296.415 -0.393 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H](O)CC[C@@H]1C ZINC000401912161 420221626 /nfs/dbraw/zinc/22/16/26/420221626.db2.gz ULPBZGJVDXMIPB-RWMBFGLXSA-N 2 2 260.378 -0.229 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H](O)CC[C@@H]1C ZINC000401912161 420221628 /nfs/dbraw/zinc/22/16/28/420221628.db2.gz ULPBZGJVDXMIPB-RWMBFGLXSA-N 2 2 260.378 -0.229 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H](O)CC[C@@H]1C ZINC000401912161 420221630 /nfs/dbraw/zinc/22/16/30/420221630.db2.gz ULPBZGJVDXMIPB-RWMBFGLXSA-N 2 2 260.378 -0.229 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H](O)CC[C@@H]1C ZINC000401912161 420221632 /nfs/dbraw/zinc/22/16/32/420221632.db2.gz ULPBZGJVDXMIPB-RWMBFGLXSA-N 2 2 260.378 -0.229 20 0 CBADLP C[N@H+](C[C@H](O)C[NH2+]CCN1C(=O)CCC1=O)C1CC1 ZINC000405350021 420227441 /nfs/dbraw/zinc/22/74/41/420227441.db2.gz ZMQRAGHJSBHNQV-LLVKDONJSA-N 2 2 269.345 -0.820 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH2+]CCN1C(=O)CCC1=O)C1CC1 ZINC000405350021 420227443 /nfs/dbraw/zinc/22/74/43/420227443.db2.gz ZMQRAGHJSBHNQV-LLVKDONJSA-N 2 2 269.345 -0.820 20 0 CBADLP CCO[C@@H]1C[N@H+](CC(=O)NCCCOC)C[C@H]1C[NH3+] ZINC000405523334 420228113 /nfs/dbraw/zinc/22/81/13/420228113.db2.gz JYUXOPGGKJQNLZ-VXGBXAGGSA-N 2 2 273.377 -0.565 20 0 CBADLP CCO[C@@H]1C[N@@H+](CC(=O)NCCCOC)C[C@H]1C[NH3+] ZINC000405523334 420228114 /nfs/dbraw/zinc/22/81/14/420228114.db2.gz JYUXOPGGKJQNLZ-VXGBXAGGSA-N 2 2 273.377 -0.565 20 0 CBADLP Nc1cc(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)ccn1 ZINC000420316869 420252400 /nfs/dbraw/zinc/25/24/00/420252400.db2.gz YRJCVLMMNPUJCO-ZDUSSCGKSA-N 2 2 289.383 0.060 20 0 CBADLP Nc1cc(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)ccn1 ZINC000420316869 420252404 /nfs/dbraw/zinc/25/24/04/420252404.db2.gz YRJCVLMMNPUJCO-ZDUSSCGKSA-N 2 2 289.383 0.060 20 0 CBADLP O=C(NC[C@H]1C[NH2+]CCCO1)[C@H]1CCc2[nH+]ccn2C1 ZINC000655466184 420253472 /nfs/dbraw/zinc/25/34/72/420253472.db2.gz SAIMPUNROIZTHO-NWDGAFQWSA-N 2 2 278.356 -0.060 20 0 CBADLP O=C([C@H]1C[C@]12CCC[NH2+]C2)N1CC[NH+](CCO)CC1 ZINC000655461271 420253844 /nfs/dbraw/zinc/25/38/44/420253844.db2.gz PHRRQPJUJZWQSO-OCCSQVGLSA-N 2 2 267.373 -0.487 20 0 CBADLP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[NH2+][C@@H](C)C2)CC[N@@H+]1C ZINC000423373567 420255267 /nfs/dbraw/zinc/25/52/67/420255267.db2.gz HJQIVVYYDJSRGE-STQMWFEESA-N 2 2 296.415 -0.395 20 0 CBADLP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[NH2+][C@@H](C)C2)CC[N@H+]1C ZINC000423373567 420255272 /nfs/dbraw/zinc/25/52/72/420255272.db2.gz HJQIVVYYDJSRGE-STQMWFEESA-N 2 2 296.415 -0.395 20 0 CBADLP COCC[NH2+]CC(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488222 420255842 /nfs/dbraw/zinc/25/58/42/420255842.db2.gz WLLDLBCVWVXMMC-RWMBFGLXSA-N 2 2 287.404 -0.164 20 0 CBADLP COCC[NH2+]CC(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488222 420255846 /nfs/dbraw/zinc/25/58/46/420255846.db2.gz WLLDLBCVWVXMMC-RWMBFGLXSA-N 2 2 287.404 -0.164 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000423447879 420256891 /nfs/dbraw/zinc/25/68/91/420256891.db2.gz AONVEYBTWKEYHM-ZDUSSCGKSA-N 2 2 296.415 -0.204 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000423447879 420256896 /nfs/dbraw/zinc/25/68/96/420256896.db2.gz AONVEYBTWKEYHM-ZDUSSCGKSA-N 2 2 296.415 -0.204 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000423503929 420257406 /nfs/dbraw/zinc/25/74/06/420257406.db2.gz NEXKMLLXNJWHCF-VXGBXAGGSA-N 2 2 284.404 -0.348 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000423503929 420257409 /nfs/dbraw/zinc/25/74/09/420257409.db2.gz NEXKMLLXNJWHCF-VXGBXAGGSA-N 2 2 284.404 -0.348 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000423632728 420257520 /nfs/dbraw/zinc/25/75/20/420257520.db2.gz KGRUQPDSGHYANP-TYNCELHUSA-N 2 2 298.431 -0.055 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000423632728 420257524 /nfs/dbraw/zinc/25/75/24/420257524.db2.gz KGRUQPDSGHYANP-TYNCELHUSA-N 2 2 298.431 -0.055 20 0 CBADLP CC(=O)N[C@H]1CCCN(C(=O)C[N@@H+](C)C2CC[NH2+]CC2)C1 ZINC000430607091 420273412 /nfs/dbraw/zinc/27/34/12/420273412.db2.gz BFFPUSZQKYVQLV-ZDUSSCGKSA-N 2 2 296.415 -0.203 20 0 CBADLP CC(=O)N[C@H]1CCCN(C(=O)C[N@H+](C)C2CC[NH2+]CC2)C1 ZINC000430607091 420273415 /nfs/dbraw/zinc/27/34/15/420273415.db2.gz BFFPUSZQKYVQLV-ZDUSSCGKSA-N 2 2 296.415 -0.203 20 0 CBADLP Cn1cnnc1N1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000655945313 420282061 /nfs/dbraw/zinc/28/20/61/420282061.db2.gz AJTSJBNXKFACQQ-LBPRGKRZSA-N 2 2 264.377 -0.063 20 0 CBADLP Cn1cc[nH+]c1CNC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000438711342 420285204 /nfs/dbraw/zinc/28/52/04/420285204.db2.gz VDRXWOMXLBZJGY-UHFFFAOYSA-N 2 2 291.359 0.500 20 0 CBADLP Cc1nc(N(C)C)nc(NC[C@](C)(O)C[NH+](C)C)[nH+]1 ZINC000443707442 420290865 /nfs/dbraw/zinc/29/08/65/420290865.db2.gz JSJIRCQSWJNSQC-LBPRGKRZSA-N 2 2 268.365 -0.029 20 0 CBADLP Cc1nc(NC[C@](C)(O)C[NH+](C)C)nc(N(C)C)[nH+]1 ZINC000443707442 420290870 /nfs/dbraw/zinc/29/08/70/420290870.db2.gz JSJIRCQSWJNSQC-LBPRGKRZSA-N 2 2 268.365 -0.029 20 0 CBADLP C[C@@H]1CC[C@@H](O)C[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000399150943 420218158 /nfs/dbraw/zinc/21/81/58/420218158.db2.gz GAXXUTFUFQLVFB-VXGBXAGGSA-N 2 2 255.362 -0.394 20 0 CBADLP C[C@@H]1CC[C@@H](O)C[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000399150943 420218161 /nfs/dbraw/zinc/21/81/61/420218161.db2.gz GAXXUTFUFQLVFB-VXGBXAGGSA-N 2 2 255.362 -0.394 20 0 CBADLP CO[C@@H]1CS(=O)(=O)[C@H]2C[N@H+](C[C@@H]3CCC[NH2+]C3)C[C@H]21 ZINC000656791070 420322540 /nfs/dbraw/zinc/32/25/40/420322540.db2.gz DBGACGOIRUSLPO-XQHKEYJVSA-N 2 2 288.413 -0.270 20 0 CBADLP CO[C@@H]1CS(=O)(=O)[C@H]2C[N@@H+](C[C@@H]3CCC[NH2+]C3)C[C@H]21 ZINC000656791070 420322548 /nfs/dbraw/zinc/32/25/48/420322548.db2.gz DBGACGOIRUSLPO-XQHKEYJVSA-N 2 2 288.413 -0.270 20 0 CBADLP CC[C@@H]1C[C@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)CO1 ZINC000657334052 420352467 /nfs/dbraw/zinc/35/24/67/420352467.db2.gz KAFWESMERRWVNB-NWDGAFQWSA-N 2 2 255.362 -0.083 20 0 CBADLP C[N@@H+]1CC[C@@](O)(CNCc2c[nH+]c3n2CCC3)C1 ZINC000657434348 420352599 /nfs/dbraw/zinc/35/25/99/420352599.db2.gz GHIBPIZQDDDFCW-CYBMUJFWSA-N 2 2 250.346 -0.015 20 0 CBADLP C[N@H+]1CC[C@@](O)(CNCc2c[nH+]c3n2CCC3)C1 ZINC000657434348 420352602 /nfs/dbraw/zinc/35/26/02/420352602.db2.gz GHIBPIZQDDDFCW-CYBMUJFWSA-N 2 2 250.346 -0.015 20 0 CBADLP O=C(C[NH2+]Cc1c[nH+]c2n1CCC2)N1CCOCC1 ZINC000657428964 420353619 /nfs/dbraw/zinc/35/36/19/420353619.db2.gz OYTZAOTXPAPOHS-UHFFFAOYSA-N 2 2 264.329 -0.222 20 0 CBADLP C[C@H]1C[C@@H](C(=O)N[C@H](CO)C[NH+]2CCOCC2)CC[N@@H+]1C ZINC000508342522 420354070 /nfs/dbraw/zinc/35/40/70/420354070.db2.gz ZQLHGRWZSGAHGA-IHRRRGAJSA-N 2 2 299.415 -0.474 20 0 CBADLP C[C@H]1C[C@@H](C(=O)N[C@H](CO)C[NH+]2CCOCC2)CC[N@H+]1C ZINC000508342522 420354072 /nfs/dbraw/zinc/35/40/72/420354072.db2.gz ZQLHGRWZSGAHGA-IHRRRGAJSA-N 2 2 299.415 -0.474 20 0 CBADLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2cnn3c2CCC3)C1 ZINC000657437989 420355137 /nfs/dbraw/zinc/35/51/37/420355137.db2.gz YGTDEEPMEFZMSG-CYBMUJFWSA-N 2 2 250.346 -0.015 20 0 CBADLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2cnn3c2CCC3)C1 ZINC000657437989 420355143 /nfs/dbraw/zinc/35/51/43/420355143.db2.gz YGTDEEPMEFZMSG-CYBMUJFWSA-N 2 2 250.346 -0.015 20 0 CBADLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2cc3n(n2)CCC3)C1 ZINC000657435702 420355391 /nfs/dbraw/zinc/35/53/91/420355391.db2.gz OJNLKQZMHSAUSN-ZDUSSCGKSA-N 2 2 250.346 -0.015 20 0 CBADLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2cc3n(n2)CCC3)C1 ZINC000657435702 420355396 /nfs/dbraw/zinc/35/53/96/420355396.db2.gz OJNLKQZMHSAUSN-ZDUSSCGKSA-N 2 2 250.346 -0.015 20 0 CBADLP Cc1[nH+]cc(C[NH2+]C[C@@]2(OCCO)CCOC2)n1C ZINC000657598607 420358248 /nfs/dbraw/zinc/35/82/48/420358248.db2.gz NJHFPBHYIJVRIB-ZDUSSCGKSA-N 2 2 269.345 -0.014 20 0 CBADLP Cc1cc(NC(=O)NCC(=O)N2CC[NH2+]CC2)c(C)c[nH+]1 ZINC000516632949 420361563 /nfs/dbraw/zinc/36/15/63/420361563.db2.gz VERMSHDEOHYWAJ-UHFFFAOYSA-N 2 2 291.355 -0.326 20 0 CBADLP Nc1ccc(NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)c[nH+]1 ZINC000516065247 420361953 /nfs/dbraw/zinc/36/19/53/420361953.db2.gz FUDMWBDJHNYSAU-SNVBAGLBSA-N 2 2 277.328 -0.139 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NCC1=CC[NH2+]CC1 ZINC000516969450 420368277 /nfs/dbraw/zinc/36/82/77/420368277.db2.gz GDMDMMDGIMDNPZ-UHFFFAOYSA-N 2 2 282.388 -0.521 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NCC1=CC[NH2+]CC1 ZINC000516969450 420368279 /nfs/dbraw/zinc/36/82/79/420368279.db2.gz GDMDMMDGIMDNPZ-UHFFFAOYSA-N 2 2 282.388 -0.521 20 0 CBADLP CN(CC1C[NH+](C)C1)C(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000658461850 420378035 /nfs/dbraw/zinc/37/80/35/420378035.db2.gz CHKNUFNLWMLYRS-UHFFFAOYSA-N 2 2 294.399 -0.687 20 0 CBADLP C[NH2+]CC(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000517563055 420378369 /nfs/dbraw/zinc/37/83/69/420378369.db2.gz FDSHXBZNHBHCPV-RYUDHWBXSA-N 2 2 283.351 -0.332 20 0 CBADLP C[NH2+]CC(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000517563055 420378373 /nfs/dbraw/zinc/37/83/73/420378373.db2.gz FDSHXBZNHBHCPV-RYUDHWBXSA-N 2 2 283.351 -0.332 20 0 CBADLP C[C@H](O)C[NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000519638919 420383790 /nfs/dbraw/zinc/38/37/90/420383790.db2.gz HHOVSMMMFHVPHZ-QWRGUYRKSA-N 2 2 266.345 -0.119 20 0 CBADLP C[N@@H+]1CCN(C(=O)CC2CCOCC2)[C@@H](C[NH3+])C1 ZINC000519640939 420383837 /nfs/dbraw/zinc/38/38/37/420383837.db2.gz FSWLGLSFZZAZRT-LBPRGKRZSA-N 2 2 255.362 -0.096 20 0 CBADLP C[N@H+]1CCN(C(=O)CC2CCOCC2)[C@@H](C[NH3+])C1 ZINC000519640939 420383841 /nfs/dbraw/zinc/38/38/41/420383841.db2.gz FSWLGLSFZZAZRT-LBPRGKRZSA-N 2 2 255.362 -0.096 20 0 CBADLP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCCNc1cccc[nH+]1 ZINC000520224352 420390527 /nfs/dbraw/zinc/39/05/27/420390527.db2.gz BHNYUYZPPAVTBC-NSHDSACASA-N 2 2 291.355 -0.522 20 0 CBADLP C[C@@H](C(=O)N1CC[NH+](CC(C)(C)O)CC1)[NH+](C)C ZINC000674288062 544901284 /nfs/dbraw/zinc/90/12/84/544901284.db2.gz UVTXHNDNHZDAKP-NSHDSACASA-N 2 2 257.378 -0.148 20 0 CBADLP C[C@@H](C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1)[NH+](C)C ZINC000674287622 544901719 /nfs/dbraw/zinc/90/17/19/544901719.db2.gz KJINYJBOKRPXEB-RWMBFGLXSA-N 2 2 269.389 -0.006 20 0 CBADLP C[C@](O)(CNC(=O)Cn1cc[nH+]c1)C[NH+]1CCOCC1 ZINC000674364128 544904182 /nfs/dbraw/zinc/90/41/82/544904182.db2.gz NPYSFTZVHSYGGA-ZDUSSCGKSA-N 2 2 282.344 -0.918 20 0 CBADLP C[C@H](CC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)n1cc[nH+]c1 ZINC000516878265 420365835 /nfs/dbraw/zinc/36/58/35/420365835.db2.gz FBZSHFQHHQKICM-WOPDTQHZSA-N 2 2 291.355 -0.395 20 0 CBADLP CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000673673898 544886162 /nfs/dbraw/zinc/88/61/62/544886162.db2.gz RTWVQFLRIMUPNL-RYUDHWBXSA-N 2 2 271.361 -0.846 20 0 CBADLP CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000673673898 544886166 /nfs/dbraw/zinc/88/61/66/544886166.db2.gz RTWVQFLRIMUPNL-RYUDHWBXSA-N 2 2 271.361 -0.846 20 0 CBADLP CC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000673673898 544886174 /nfs/dbraw/zinc/88/61/74/544886174.db2.gz RTWVQFLRIMUPNL-RYUDHWBXSA-N 2 2 271.361 -0.846 20 0 CBADLP CC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000673673898 544886176 /nfs/dbraw/zinc/88/61/76/544886176.db2.gz RTWVQFLRIMUPNL-RYUDHWBXSA-N 2 2 271.361 -0.846 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)[C@H]2C[NH+](C)CCO2)C1 ZINC000676401688 544950909 /nfs/dbraw/zinc/95/09/09/544950909.db2.gz BYSLNEOMGHATAH-XQQFMLRXSA-N 2 2 285.388 -0.458 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C)[C@H]2C[NH+](C)CCO2)C1 ZINC000676401688 544950911 /nfs/dbraw/zinc/95/09/11/544950911.db2.gz BYSLNEOMGHATAH-XQQFMLRXSA-N 2 2 285.388 -0.458 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)C1 ZINC000676401688 544950914 /nfs/dbraw/zinc/95/09/14/544950914.db2.gz BYSLNEOMGHATAH-XQQFMLRXSA-N 2 2 285.388 -0.458 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000676401688 544950919 /nfs/dbraw/zinc/95/09/19/544950919.db2.gz BYSLNEOMGHATAH-XQQFMLRXSA-N 2 2 285.388 -0.458 20 0 CBADLP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000676623842 544956030 /nfs/dbraw/zinc/95/60/30/544956030.db2.gz NWBAGJLOACRBOQ-OLZOCXBDSA-N 2 2 266.389 -0.413 20 0 CBADLP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000676623842 544956036 /nfs/dbraw/zinc/95/60/36/544956036.db2.gz NWBAGJLOACRBOQ-OLZOCXBDSA-N 2 2 266.389 -0.413 20 0 CBADLP [NH3+][C@@H]1CN(C(=O)NCCn2cc[nH+]c2)CC[C@H]1F ZINC000659427237 420418571 /nfs/dbraw/zinc/41/85/71/420418571.db2.gz CVVMVYXLWHDKIC-NXEZZACHSA-N 2 2 255.297 -0.036 20 0 CBADLP [NH3+]CC12CC(C1)CN2C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000659487363 420422744 /nfs/dbraw/zinc/42/27/44/420422744.db2.gz ZLAKAADFBUCXBN-UHFFFAOYSA-N 2 2 294.399 -0.016 20 0 CBADLP CC[N@@H+]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C[C@H]1C ZINC000677171611 544970031 /nfs/dbraw/zinc/97/00/31/544970031.db2.gz BRCNRPLZZCHZAQ-NEPJUHHUSA-N 2 2 255.362 -0.130 20 0 CBADLP CC[N@H+]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C[C@H]1C ZINC000677171611 544970034 /nfs/dbraw/zinc/97/00/34/544970034.db2.gz BRCNRPLZZCHZAQ-NEPJUHHUSA-N 2 2 255.362 -0.130 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC000677171611 544970039 /nfs/dbraw/zinc/97/00/39/544970039.db2.gz BRCNRPLZZCHZAQ-NEPJUHHUSA-N 2 2 255.362 -0.130 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC000677171611 544970042 /nfs/dbraw/zinc/97/00/42/544970042.db2.gz BRCNRPLZZCHZAQ-NEPJUHHUSA-N 2 2 255.362 -0.130 20 0 CBADLP C[NH2+]C[C@H](C)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659357444 420414594 /nfs/dbraw/zinc/41/45/94/420414594.db2.gz HVHJLYXXNLFEKW-NWDGAFQWSA-N 2 2 255.362 -0.225 20 0 CBADLP C[NH+](C)CCN1C[C@@H](C(=O)NCCn2cc[nH+]c2)CC1=O ZINC000266801746 230194367 /nfs/dbraw/zinc/19/43/67/230194367.db2.gz FOWAAIJPOCUDAW-LBPRGKRZSA-N 2 2 293.371 -0.591 20 0 CBADLP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659357209 420415369 /nfs/dbraw/zinc/41/53/69/420415369.db2.gz DNZLTBBWLHIHHZ-XQQFMLRXSA-N 2 2 267.373 -0.083 20 0 CBADLP CC(C)[NH2+]CC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659359070 420416865 /nfs/dbraw/zinc/41/68/65/420416865.db2.gz VZQSGHMSRWCAEY-GFCCVEGCSA-N 2 2 255.362 -0.083 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000677862133 544987145 /nfs/dbraw/zinc/98/71/45/544987145.db2.gz BQQIKIAJMGXNQP-OLZOCXBDSA-N 2 2 277.372 -0.222 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000677862133 544987149 /nfs/dbraw/zinc/98/71/49/544987149.db2.gz BQQIKIAJMGXNQP-OLZOCXBDSA-N 2 2 277.372 -0.222 20 0 CBADLP Cc1cnn(CC[NH+]2CCN(C(=O)C[NH+](C)C)CC2)c1 ZINC000341833508 230232075 /nfs/dbraw/zinc/23/20/75/230232075.db2.gz DTOFEZOYLGGIRC-UHFFFAOYSA-N 2 2 279.388 -0.103 20 0 CBADLP C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)CN1CC[NH+](C)CC1 ZINC000678180456 545014322 /nfs/dbraw/zinc/01/43/22/545014322.db2.gz XNCAWKVVQGMTEB-CHWSQXEVSA-N 2 2 268.405 -0.215 20 0 CBADLP C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)CN1CC[NH+](C)CC1 ZINC000678180456 545014324 /nfs/dbraw/zinc/01/43/24/545014324.db2.gz XNCAWKVVQGMTEB-CHWSQXEVSA-N 2 2 268.405 -0.215 20 0 CBADLP C[NH2+]CCNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659514289 420426106 /nfs/dbraw/zinc/42/61/06/420426106.db2.gz HQAXVQGHILCYJT-LLVKDONJSA-N 2 2 256.350 -0.678 20 0 CBADLP CN(C)C(=O)CN1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000678881904 545022023 /nfs/dbraw/zinc/02/20/23/545022023.db2.gz YYRYBKDXIWKXPU-UHFFFAOYSA-N 2 2 279.388 -0.021 20 0 CBADLP C[C@@H](C(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1)[NH+](C)C ZINC000679237604 545024796 /nfs/dbraw/zinc/02/47/96/545024796.db2.gz RLPHDSKVTXGSKS-UONOGXRCSA-N 2 2 299.415 -0.114 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](C(C)(C)CO)CC2)C1 ZINC000679314868 545026819 /nfs/dbraw/zinc/02/68/19/545026819.db2.gz KZLXGYBSNOBJGZ-GFCCVEGCSA-N 2 2 285.388 -0.768 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](C(C)(C)CO)CC2)C1 ZINC000679314868 545026821 /nfs/dbraw/zinc/02/68/21/545026821.db2.gz KZLXGYBSNOBJGZ-GFCCVEGCSA-N 2 2 285.388 -0.768 20 0 CBADLP C[C@H](CC[NH3+])NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659529292 420429948 /nfs/dbraw/zinc/42/99/48/420429948.db2.gz JDJGQVMPJUJQEK-VXGBXAGGSA-N 2 2 270.377 -0.160 20 0 CBADLP C[C@H]([NH3+])CNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659537104 420430763 /nfs/dbraw/zinc/43/07/63/420430763.db2.gz JJINWKPWZLRQDH-WDEREUQCSA-N 2 2 256.350 -0.550 20 0 CBADLP C[NH+](C)CCn1ccc(NC(=O)Cn2cc[nH+]c2)n1 ZINC000558643872 420431339 /nfs/dbraw/zinc/43/13/39/420431339.db2.gz LOAVGJLZPZWYAB-UHFFFAOYSA-N 2 2 262.317 0.280 20 0 CBADLP C[C@H](O)CNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000683417616 545064682 /nfs/dbraw/zinc/06/46/82/545064682.db2.gz BINFDUCRMSQCOG-NWDGAFQWSA-N 2 2 284.404 -0.165 20 0 CBADLP C[C@H](O)CNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000683417616 545064683 /nfs/dbraw/zinc/06/46/83/545064683.db2.gz BINFDUCRMSQCOG-NWDGAFQWSA-N 2 2 284.404 -0.165 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH+]3CCC3)[C@H](F)C2)C1 ZINC000684180141 545072480 /nfs/dbraw/zinc/07/24/80/545072480.db2.gz VWWBTAKGUZDXLD-UPJWGTAASA-N 2 2 285.363 -0.038 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH+]3CCC3)[C@H](F)C2)C1 ZINC000684180141 545072481 /nfs/dbraw/zinc/07/24/81/545072481.db2.gz VWWBTAKGUZDXLD-UPJWGTAASA-N 2 2 285.363 -0.038 20 0 CBADLP CCC[N@@H+]1CC[C@H](NC(=O)N2CC[NH+](C)C[C@@H]2C[NH3+])C1 ZINC000659610168 420437838 /nfs/dbraw/zinc/43/78/38/420437838.db2.gz LZWXNKUVNNYIFK-STQMWFEESA-N 3 2 283.420 -0.245 20 0 CBADLP CCC[N@H+]1CC[C@H](NC(=O)N2CC[NH+](C)C[C@@H]2C[NH3+])C1 ZINC000659610168 420437841 /nfs/dbraw/zinc/43/78/41/420437841.db2.gz LZWXNKUVNNYIFK-STQMWFEESA-N 3 2 283.420 -0.245 20 0 CBADLP CCC[NH+]1CC[C@H](NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])C1 ZINC000659610168 420437843 /nfs/dbraw/zinc/43/78/43/420437843.db2.gz LZWXNKUVNNYIFK-STQMWFEESA-N 3 2 283.420 -0.245 20 0 CBADLP CCC[NH+]1CC[C@H](NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])C1 ZINC000659610168 420437848 /nfs/dbraw/zinc/43/78/48/420437848.db2.gz LZWXNKUVNNYIFK-STQMWFEESA-N 3 2 283.420 -0.245 20 0 CBADLP CN1CC[C@@H](C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1=O ZINC000681303798 545046551 /nfs/dbraw/zinc/04/65/51/545046551.db2.gz YXYLGLSMHPZYSZ-ZDUSSCGKSA-N 2 2 296.415 -0.393 20 0 CBADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000493968597 230341408 /nfs/dbraw/zinc/34/14/08/230341408.db2.gz LDYFHAUBCMIZPC-WOPDTQHZSA-N 2 2 256.394 -0.278 20 0 CBADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CC2(CC(N)=O)CC2)C[C@H](C)O1 ZINC000564724174 420439467 /nfs/dbraw/zinc/43/94/67/420439467.db2.gz XSBKUHSYYZHQIH-FRRDWIJNSA-N 2 2 299.415 -0.298 20 0 CBADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CC2(CC(N)=O)CC2)C[C@H](C)O1 ZINC000564724174 420439469 /nfs/dbraw/zinc/43/94/69/420439469.db2.gz XSBKUHSYYZHQIH-FRRDWIJNSA-N 2 2 299.415 -0.298 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](CCO)C(C)(C)C2)C1 ZINC000682012238 545053531 /nfs/dbraw/zinc/05/35/31/545053531.db2.gz NPRYOMAHJHNNRH-ZDUSSCGKSA-N 2 2 299.415 -0.378 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[NH+](CCO)C(C)(C)C2)C1 ZINC000682012238 545053532 /nfs/dbraw/zinc/05/35/32/545053532.db2.gz NPRYOMAHJHNNRH-ZDUSSCGKSA-N 2 2 299.415 -0.378 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)N2CC[N@H+](CCO)C(C)(C)C2)C1 ZINC000682012238 545053534 /nfs/dbraw/zinc/05/35/34/545053534.db2.gz NPRYOMAHJHNNRH-ZDUSSCGKSA-N 2 2 299.415 -0.378 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)C1 ZINC000682012238 545053535 /nfs/dbraw/zinc/05/35/35/545053535.db2.gz NPRYOMAHJHNNRH-ZDUSSCGKSA-N 2 2 299.415 -0.378 20 0 CBADLP C[NH+](C)CC(=O)NCCCN1CCC[N@H+](C)CC1 ZINC000682361431 545055767 /nfs/dbraw/zinc/05/57/67/545055767.db2.gz VAQRSCGIUYHQDU-UHFFFAOYSA-N 2 2 256.394 -0.308 20 0 CBADLP C[NH+](C)CC(=O)NCCCN1CCC[N@@H+](C)CC1 ZINC000682361431 545055770 /nfs/dbraw/zinc/05/57/70/545055770.db2.gz VAQRSCGIUYHQDU-UHFFFAOYSA-N 2 2 256.394 -0.308 20 0 CBADLP CN1CCC[N@H+](CCCNC(=O)C[NH+](C)C)CC1 ZINC000682361431 545055771 /nfs/dbraw/zinc/05/57/71/545055771.db2.gz VAQRSCGIUYHQDU-UHFFFAOYSA-N 2 2 256.394 -0.308 20 0 CBADLP CN1CCC[N@@H+](CCCNC(=O)C[NH+](C)C)CC1 ZINC000682361431 545055772 /nfs/dbraw/zinc/05/57/72/545055772.db2.gz VAQRSCGIUYHQDU-UHFFFAOYSA-N 2 2 256.394 -0.308 20 0 CBADLP C[NH2+]C[C@@H](C)NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659637661 420441591 /nfs/dbraw/zinc/44/15/91/420441591.db2.gz VKCQMFPZZXDEKA-NEPJUHHUSA-N 2 2 270.377 -0.290 20 0 CBADLP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCCCCn1cc[nH+]c1 ZINC000659673385 420446627 /nfs/dbraw/zinc/44/66/27/420446627.db2.gz CHONDERBEBMPQQ-LLVKDONJSA-N 2 2 281.360 -0.496 20 0 CBADLP Nc1nc(N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)[nH+]c2ccccc12 ZINC000568257591 420449929 /nfs/dbraw/zinc/44/99/29/420449929.db2.gz QTBIMKPYXHURLR-KOLCDFICSA-N 2 2 298.350 -0.040 20 0 CBADLP Nc1nc(N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)[nH+]c2ccccc12 ZINC000568257590 420449964 /nfs/dbraw/zinc/44/99/64/420449964.db2.gz QTBIMKPYXHURLR-GXSJLCMTSA-N 2 2 298.350 -0.040 20 0 CBADLP CN1CC[NH2+]C[C@@H]1CNc1nc(N)c2ccccc2[nH+]1 ZINC000568610626 420450924 /nfs/dbraw/zinc/45/09/24/420450924.db2.gz WHKBNBHXQJSBNB-SNVBAGLBSA-N 2 2 272.356 -0.051 20 0 CBADLP C[NH2+]C[C@H](C)NC(=O)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000659695496 420450989 /nfs/dbraw/zinc/45/09/89/420450989.db2.gz YVTXAINFCMLKBB-JTQLQIEISA-N 2 2 293.371 -0.512 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000659704121 420453188 /nfs/dbraw/zinc/45/31/88/420453188.db2.gz KVNBRJLLGILEKC-SNVBAGLBSA-N 2 2 281.360 -0.417 20 0 CBADLP CN(CC(C)(C)[NH3+])C(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000659706970 420453758 /nfs/dbraw/zinc/45/37/58/420453758.db2.gz RUKKNJHQESCROY-UHFFFAOYSA-N 2 2 281.360 -0.415 20 0 CBADLP Nc1ncc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)s1 ZINC000573578608 420459075 /nfs/dbraw/zinc/45/90/75/420459075.db2.gz SHHOKTXRAUULRI-CBAPKCEASA-N 2 2 267.358 -0.531 20 0 CBADLP Nc1ncc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)s1 ZINC000573578608 420459078 /nfs/dbraw/zinc/45/90/78/420459078.db2.gz SHHOKTXRAUULRI-CBAPKCEASA-N 2 2 267.358 -0.531 20 0 CBADLP COc1c(N)[nH+]cnc1NC[C@@H](C)C[NH+]1CCOCC1 ZINC000575195415 420461157 /nfs/dbraw/zinc/46/11/57/420461157.db2.gz IQHRSLSUWCBANQ-SNVBAGLBSA-N 2 2 281.360 0.448 20 0 CBADLP COc1c(N)nc[nH+]c1NC[C@@H](C)C[NH+]1CCOCC1 ZINC000575195415 420461161 /nfs/dbraw/zinc/46/11/61/420461161.db2.gz IQHRSLSUWCBANQ-SNVBAGLBSA-N 2 2 281.360 0.448 20 0 CBADLP CN1CC(=O)N(CC[N@@H+]2CC[C@@H](C[NH+](C)C)C2)C1=O ZINC000659926044 420477661 /nfs/dbraw/zinc/47/76/61/420477661.db2.gz KUFOUEDOMZXIBT-NSHDSACASA-N 2 2 268.361 -0.236 20 0 CBADLP CN1CC(=O)N(CC[N@H+]2CC[C@@H](C[NH+](C)C)C2)C1=O ZINC000659926044 420477662 /nfs/dbraw/zinc/47/76/62/420477662.db2.gz KUFOUEDOMZXIBT-NSHDSACASA-N 2 2 268.361 -0.236 20 0 CBADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1CS(N)(=O)=O ZINC000660075151 420482397 /nfs/dbraw/zinc/48/23/97/420482397.db2.gz BYHRWLPICZDIFY-NWDGAFQWSA-N 2 2 293.433 -0.560 20 0 CBADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1CS(N)(=O)=O ZINC000660075151 420482398 /nfs/dbraw/zinc/48/23/98/420482398.db2.gz BYHRWLPICZDIFY-NWDGAFQWSA-N 2 2 293.433 -0.560 20 0 CBADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000660075151 420482401 /nfs/dbraw/zinc/48/24/01/420482401.db2.gz BYHRWLPICZDIFY-NWDGAFQWSA-N 2 2 293.433 -0.560 20 0 CBADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000660075151 420482404 /nfs/dbraw/zinc/48/24/04/420482404.db2.gz BYHRWLPICZDIFY-NWDGAFQWSA-N 2 2 293.433 -0.560 20 0 CBADLP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)[C@]1(CO)CCOC1 ZINC000660240027 420487395 /nfs/dbraw/zinc/48/73/95/420487395.db2.gz UTLFRCIGWBALMV-STQMWFEESA-N 2 2 260.378 -0.229 20 0 CBADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)[C@]1(CO)CCOC1 ZINC000660240027 420487396 /nfs/dbraw/zinc/48/73/96/420487396.db2.gz UTLFRCIGWBALMV-STQMWFEESA-N 2 2 260.378 -0.229 20 0 CBADLP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)[C@]1(CO)CCOC1 ZINC000660240027 420487397 /nfs/dbraw/zinc/48/73/97/420487397.db2.gz UTLFRCIGWBALMV-STQMWFEESA-N 2 2 260.378 -0.229 20 0 CBADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)[C@]1(CO)CCOC1 ZINC000660240027 420487398 /nfs/dbraw/zinc/48/73/98/420487398.db2.gz UTLFRCIGWBALMV-STQMWFEESA-N 2 2 260.378 -0.229 20 0 CBADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)[C@@]1(CO)CCOC1 ZINC000660240024 420487459 /nfs/dbraw/zinc/48/74/59/420487459.db2.gz UTLFRCIGWBALMV-CHWSQXEVSA-N 2 2 260.378 -0.229 20 0 CBADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)[C@@]1(CO)CCOC1 ZINC000660240024 420487461 /nfs/dbraw/zinc/48/74/61/420487461.db2.gz UTLFRCIGWBALMV-CHWSQXEVSA-N 2 2 260.378 -0.229 20 0 CBADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)[C@@]1(CO)CCOC1 ZINC000660240024 420487463 /nfs/dbraw/zinc/48/74/63/420487463.db2.gz UTLFRCIGWBALMV-CHWSQXEVSA-N 2 2 260.378 -0.229 20 0 CBADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)[C@@]1(CO)CCOC1 ZINC000660240024 420487464 /nfs/dbraw/zinc/48/74/64/420487464.db2.gz UTLFRCIGWBALMV-CHWSQXEVSA-N 2 2 260.378 -0.229 20 0 CBADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000660441661 420490700 /nfs/dbraw/zinc/49/07/00/420490700.db2.gz XUFMTRTUBPLGBE-BXUZGUMPSA-N 2 2 298.387 -0.639 20 0 CBADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000660441661 420490702 /nfs/dbraw/zinc/49/07/02/420490702.db2.gz XUFMTRTUBPLGBE-BXUZGUMPSA-N 2 2 298.387 -0.639 20 0 CBADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000660441661 420490704 /nfs/dbraw/zinc/49/07/04/420490704.db2.gz XUFMTRTUBPLGBE-BXUZGUMPSA-N 2 2 298.387 -0.639 20 0 CBADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000660441661 420490705 /nfs/dbraw/zinc/49/07/05/420490705.db2.gz XUFMTRTUBPLGBE-BXUZGUMPSA-N 2 2 298.387 -0.639 20 0 CBADLP CO[C@H](C[NH3+])CC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000518371696 260386448 /nfs/dbraw/zinc/38/64/48/260386448.db2.gz FJYAJRIRUPHBSN-LBPRGKRZSA-N 2 2 293.371 -0.203 20 0 CBADLP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)CN1CC[NH2+]CC1=O ZINC000518973445 265266056 /nfs/dbraw/zinc/26/60/56/265266056.db2.gz WTLIRGCTDUKZBB-VXGBXAGGSA-N 2 2 282.388 -0.783 20 0 CBADLP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)CN1CC[NH2+]CC1=O ZINC000518973445 265266059 /nfs/dbraw/zinc/26/60/59/265266059.db2.gz WTLIRGCTDUKZBB-VXGBXAGGSA-N 2 2 282.388 -0.783 20 0 CBADLP CC[NH+](CC)C[C@H](C)NC(=O)CN1CC[NH2+]CC1=O ZINC000431047187 276332855 /nfs/dbraw/zinc/33/28/55/276332855.db2.gz AXVJCEODODVBQA-NSHDSACASA-N 2 2 270.377 -0.735 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000366478347 276391336 /nfs/dbraw/zinc/39/13/36/276391336.db2.gz JBNONTUCUWJMEV-KBPBESRZSA-N 2 2 297.399 -0.360 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000366478347 276391339 /nfs/dbraw/zinc/39/13/39/276391339.db2.gz JBNONTUCUWJMEV-KBPBESRZSA-N 2 2 297.399 -0.360 20 0 CBADLP CC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000051763127 276617470 /nfs/dbraw/zinc/61/74/70/276617470.db2.gz ATLHOFREGBLHPU-QWHCGFSZSA-N 2 2 298.431 -0.005 20 0 CBADLP CN(C)C(=O)C[NH+]1CCN(C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000685561242 545081872 /nfs/dbraw/zinc/08/18/72/545081872.db2.gz VKPPYESUTVNKBC-AWEZNQCLSA-N 2 2 298.431 -0.853 20 0 CBADLP CN(C)C(=O)C[NH+]1CCN(C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000685561242 545081873 /nfs/dbraw/zinc/08/18/73/545081873.db2.gz VKPPYESUTVNKBC-AWEZNQCLSA-N 2 2 298.431 -0.853 20 0 CBADLP CC[C@H](Cn1cncn1)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000685645760 545082320 /nfs/dbraw/zinc/08/23/20/545082320.db2.gz ILDHWMRWGSDVKH-GFCCVEGCSA-N 2 2 280.376 -0.580 20 0 CBADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)C(C)(C)n1cncn1 ZINC000685645700 545082341 /nfs/dbraw/zinc/08/23/41/545082341.db2.gz DZDAZNJPZPPNFJ-GFCCVEGCSA-N 2 2 294.403 -0.235 20 0 CBADLP C[NH2+]CC(=O)N1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000378208884 277020415 /nfs/dbraw/zinc/02/04/15/277020415.db2.gz ITXYOBHGWBDGJS-NSHDSACASA-N 2 2 268.361 -0.981 20 0 CBADLP C[NH2+]C[C@H](C)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000092136985 277029826 /nfs/dbraw/zinc/02/98/26/277029826.db2.gz ZUCJQVDKJZWIBY-RYUDHWBXSA-N 2 2 255.362 -0.225 20 0 CBADLP C[C@@H](C(=O)N(C)C)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000375000033 277537730 /nfs/dbraw/zinc/53/77/30/277537730.db2.gz UTVQLUCUPLYEQG-ZDUSSCGKSA-N 2 2 299.415 -0.378 20 0 CBADLP C[C@H](C(=O)N(C)C)[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000420301523 278133230 /nfs/dbraw/zinc/13/32/30/278133230.db2.gz FDVICYVYQWJRDS-VXGBXAGGSA-N 2 2 282.388 -0.641 20 0 CBADLP C[C@H](C(=O)N(C)C)[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000420301523 278133231 /nfs/dbraw/zinc/13/32/31/278133231.db2.gz FDVICYVYQWJRDS-VXGBXAGGSA-N 2 2 282.388 -0.641 20 0 CBADLP CC[N@H+](C[C@H](O)C[NH+](C)C1CC1)[C@@H]1CCNC1=O ZINC000352103460 279229691 /nfs/dbraw/zinc/22/96/91/279229691.db2.gz OSWRPJAXWOUSPQ-VXGBXAGGSA-N 2 2 255.362 -0.348 20 0 CBADLP CC[N@@H+](C[C@H](O)C[NH+](C)C1CC1)[C@@H]1CCNC1=O ZINC000352103460 279229693 /nfs/dbraw/zinc/22/96/93/279229693.db2.gz OSWRPJAXWOUSPQ-VXGBXAGGSA-N 2 2 255.362 -0.348 20 0 CBADLP CC[NH+](C[C@H](O)C[N@H+](C)C1CC1)[C@@H]1CCNC1=O ZINC000352103460 279229696 /nfs/dbraw/zinc/22/96/96/279229696.db2.gz OSWRPJAXWOUSPQ-VXGBXAGGSA-N 2 2 255.362 -0.348 20 0 CBADLP CC[NH+](C[C@H](O)C[N@@H+](C)C1CC1)[C@@H]1CCNC1=O ZINC000352103460 279229698 /nfs/dbraw/zinc/22/96/98/279229698.db2.gz OSWRPJAXWOUSPQ-VXGBXAGGSA-N 2 2 255.362 -0.348 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[NH2+]C[C@H]2C(F)F)C1 ZINC000377567220 279384445 /nfs/dbraw/zinc/38/44/45/279384445.db2.gz ZEFULBCMFQDHQL-VHSXEESVSA-N 2 2 277.315 -0.227 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[NH2+]C[C@H]2C(F)F)C1 ZINC000377567220 279384447 /nfs/dbraw/zinc/38/44/47/279384447.db2.gz ZEFULBCMFQDHQL-VHSXEESVSA-N 2 2 277.315 -0.227 20 0 CBADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000423201973 288132583 /nfs/dbraw/zinc/13/25/83/288132583.db2.gz JVHUQFIEZADJLS-TZMCWYRMSA-N 3 2 252.406 -0.036 20 0 CBADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000423201973 288132584 /nfs/dbraw/zinc/13/25/84/288132584.db2.gz JVHUQFIEZADJLS-TZMCWYRMSA-N 3 2 252.406 -0.036 20 0 CBADLP O=C([C@@H]1CCC[NH2+]C1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000062976782 280087299 /nfs/dbraw/zinc/08/72/99/280087299.db2.gz QPJWNMWDZUBEPL-CHWSQXEVSA-N 2 2 267.373 -0.081 20 0 CBADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000430581133 280107094 /nfs/dbraw/zinc/10/70/94/280107094.db2.gz NWMOFHDEDHQMEV-SMDDNHRTSA-N 2 2 284.404 -0.327 20 0 CBADLP CC(C)[C@H](C(=O)NC[C@@H]1C[NH+]2CCN1CC2)[NH+](C)C ZINC000370823991 280173061 /nfs/dbraw/zinc/17/30/61/280173061.db2.gz NNIBLWCLTDJBFK-CHWSQXEVSA-N 2 2 268.405 -0.311 20 0 CBADLP C[C@@H]1[C@H](C)OCC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000093190772 289021171 /nfs/dbraw/zinc/02/11/71/289021171.db2.gz PYGDTDCYAXUSDA-NEPJUHHUSA-N 2 2 255.362 -0.130 20 0 CBADLP C[C@@H]1[C@H](C)OCC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000093190772 289021173 /nfs/dbraw/zinc/02/11/73/289021173.db2.gz PYGDTDCYAXUSDA-NEPJUHHUSA-N 2 2 255.362 -0.130 20 0 CBADLP C[NH+](C)C/C=C/C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000363242907 289037335 /nfs/dbraw/zinc/03/73/35/289037335.db2.gz UFCBAJMOGKNGKV-HWKANZROSA-N 2 2 268.361 -0.876 20 0 CBADLP C[NH+](C)C/C=C/C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000363242907 289037338 /nfs/dbraw/zinc/03/73/38/289037338.db2.gz UFCBAJMOGKNGKV-HWKANZROSA-N 2 2 268.361 -0.876 20 0 CBADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)[C@H]2CC[NH2+]2)CC1 ZINC000444264658 289264061 /nfs/dbraw/zinc/26/40/61/289264061.db2.gz HZRUMUWONGXQHL-CHWSQXEVSA-N 2 2 294.399 -0.497 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000246754186 289341058 /nfs/dbraw/zinc/34/10/58/289341058.db2.gz HIJMLOSALDZLHX-MXWKQRLJSA-N 2 2 268.361 -0.014 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000246754186 289341059 /nfs/dbraw/zinc/34/10/59/289341059.db2.gz HIJMLOSALDZLHX-MXWKQRLJSA-N 2 2 268.361 -0.014 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000246754186 289341060 /nfs/dbraw/zinc/34/10/60/289341060.db2.gz HIJMLOSALDZLHX-MXWKQRLJSA-N 2 2 268.361 -0.014 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000246754186 289341062 /nfs/dbraw/zinc/34/10/62/289341062.db2.gz HIJMLOSALDZLHX-MXWKQRLJSA-N 2 2 268.361 -0.014 20 0 CBADLP C[N@@H+]1CCC[C@]2(CC[NH+](CCNS(C)(=O)=O)C2)C1 ZINC000331702186 290004735 /nfs/dbraw/zinc/00/47/35/290004735.db2.gz WCMHJUSXBWRRKM-LBPRGKRZSA-N 2 2 275.418 -0.047 20 0 CBADLP C[N@H+]1CCC[C@]2(CC[NH+](CCNS(C)(=O)=O)C2)C1 ZINC000331702186 290004737 /nfs/dbraw/zinc/00/47/37/290004737.db2.gz WCMHJUSXBWRRKM-LBPRGKRZSA-N 2 2 275.418 -0.047 20 0 CBADLP C[NH+]1CCC[C@]2(CC[N@H+](CCNS(C)(=O)=O)C2)C1 ZINC000331702186 290004739 /nfs/dbraw/zinc/00/47/39/290004739.db2.gz WCMHJUSXBWRRKM-LBPRGKRZSA-N 2 2 275.418 -0.047 20 0 CBADLP C[NH+]1CCC[C@]2(CC[N@@H+](CCNS(C)(=O)=O)C2)C1 ZINC000331702186 290004742 /nfs/dbraw/zinc/00/47/42/290004742.db2.gz WCMHJUSXBWRRKM-LBPRGKRZSA-N 2 2 275.418 -0.047 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000173357301 290074163 /nfs/dbraw/zinc/07/41/63/290074163.db2.gz HEAULWLSLODDTC-ZIAGYGMSSA-N 2 2 297.399 -0.360 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000173357301 290074166 /nfs/dbraw/zinc/07/41/66/290074166.db2.gz HEAULWLSLODDTC-ZIAGYGMSSA-N 2 2 297.399 -0.360 20 0 CBADLP Cc1cn2c([nH+]1)CC[C@@H](NC(=O)[C@H]1C[NH2+]CCO1)C2 ZINC000237884178 292845977 /nfs/dbraw/zinc/84/59/77/292845977.db2.gz AAPGCRZMMYLSKA-GHMZBOCLSA-N 2 2 264.329 -0.389 20 0 CBADLP Cn1cc(N2CC[C@@H]([NH2+]CC3([NH3+])CCC3)C2=O)cn1 ZINC000342135820 294252905 /nfs/dbraw/zinc/25/29/05/294252905.db2.gz LMFAQRQPWDZFLJ-LLVKDONJSA-N 2 2 263.345 -0.004 20 0 CBADLP C[C@H](NC(=O)C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1)C(=O)N(C)C ZINC000430915998 299055386 /nfs/dbraw/zinc/05/53/86/299055386.db2.gz GAFWIWUYFMIHTJ-GARJFASQSA-N 2 2 270.377 -0.752 20 0 CBADLP C[C@H](NC(=O)C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1)C(=O)N(C)C ZINC000430915998 299055388 /nfs/dbraw/zinc/05/53/88/299055388.db2.gz GAFWIWUYFMIHTJ-GARJFASQSA-N 2 2 270.377 -0.752 20 0 CBADLP C[C@H]1CN(C(=O)[C@@H]2CCC[NH2+]2)C[C@H]1[NH+]1CCOCC1 ZINC000178861505 300166153 /nfs/dbraw/zinc/16/61/53/300166153.db2.gz AWQUWWKYXNQPTC-RWMBFGLXSA-N 2 2 267.373 -0.083 20 0 CBADLP C[C@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)C[C@@H]1[NH+]1CCOCC1 ZINC000262195205 300168706 /nfs/dbraw/zinc/16/87/06/300168706.db2.gz ZXICATWKZGQPPR-CRWXNKLISA-N 2 2 297.399 -0.328 20 0 CBADLP C[C@H]1CN(C(=O)[C@@H]2C[NH2+]CCO2)C[C@H]1[NH+]1CCOCC1 ZINC000178861899 300169391 /nfs/dbraw/zinc/16/93/91/300169391.db2.gz CCUBOSBKJIFLRB-XQQFMLRXSA-N 2 2 283.372 -0.846 20 0 CBADLP [NH3+]CC(F)(F)CNC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000418120835 303368189 /nfs/dbraw/zinc/36/81/89/303368189.db2.gz WIUYRRWOEIYKOR-UHFFFAOYSA-N 2 2 292.330 -0.256 20 0 CBADLP [NH3+]CCOCC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000357068022 303383587 /nfs/dbraw/zinc/38/35/87/303383587.db2.gz FNWMOIKTPYYBDB-CYBMUJFWSA-N 3 2 257.378 -0.384 20 0 CBADLP [NH3+]CCOCC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000357068022 303383589 /nfs/dbraw/zinc/38/35/89/303383589.db2.gz FNWMOIKTPYYBDB-CYBMUJFWSA-N 3 2 257.378 -0.384 20 0 CBADLP C[C@@H]([NH2+][C@H]1CCN(S(C)(=O)=O)C1)[C@@H]1CCC[NH2+]1 ZINC000570805910 327620441 /nfs/dbraw/zinc/62/04/41/327620441.db2.gz QVBGDYUKSAVBQR-VWYCJHECSA-N 2 2 261.391 -0.250 20 0 CBADLP COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000563348068 328056708 /nfs/dbraw/zinc/05/67/08/328056708.db2.gz HCPIPOLETONONS-GARJFASQSA-N 2 2 286.376 -0.341 20 0 CBADLP COC[C@H](C)NC(=O)NC(=O)C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000563348068 328056710 /nfs/dbraw/zinc/05/67/10/328056710.db2.gz HCPIPOLETONONS-GARJFASQSA-N 2 2 286.376 -0.341 20 0 CBADLP COCCN1C(=O)C[C@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)C1=O ZINC000563348700 328056507 /nfs/dbraw/zinc/05/65/07/328056507.db2.gz MNGYZIPDCCVTEL-RYUDHWBXSA-N 2 2 283.372 -0.308 20 0 CBADLP COCCN1C(=O)C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)C1=O ZINC000563348700 328056509 /nfs/dbraw/zinc/05/65/09/328056509.db2.gz MNGYZIPDCCVTEL-RYUDHWBXSA-N 2 2 283.372 -0.308 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N(C)[C@H](C)C[NH3+] ZINC000567383645 328068401 /nfs/dbraw/zinc/06/84/01/328068401.db2.gz PHZFUZYCFBSIBD-SNVBAGLBSA-N 2 2 258.366 -0.752 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N(C)[C@H](C)C[NH3+] ZINC000567383645 328068403 /nfs/dbraw/zinc/06/84/03/328068403.db2.gz PHZFUZYCFBSIBD-SNVBAGLBSA-N 2 2 258.366 -0.752 20 0 CBADLP CC[C@@H]1C[N@H+](CCNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CCO1 ZINC000563522638 328071137 /nfs/dbraw/zinc/07/11/37/328071137.db2.gz TXLUMDZQNSZEPE-NDBYEHHHSA-N 2 2 282.388 -0.386 20 0 CBADLP CC[C@@H]1C[N@@H+](CCNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CCO1 ZINC000563522638 328071138 /nfs/dbraw/zinc/07/11/38/328071138.db2.gz TXLUMDZQNSZEPE-NDBYEHHHSA-N 2 2 282.388 -0.386 20 0 CBADLP C[N@@H+]1CCN(C(=O)N[C@@H]2C[C@@H]3OCCC[C@@H]23)[C@@H](C[NH3+])C1 ZINC000563595377 328076144 /nfs/dbraw/zinc/07/61/44/328076144.db2.gz DEWZRBWQHHYMGC-RVMXOQNASA-N 2 2 282.388 -0.162 20 0 CBADLP C[N@H+]1CCN(C(=O)N[C@@H]2C[C@@H]3OCCC[C@@H]23)[C@@H](C[NH3+])C1 ZINC000563595377 328076146 /nfs/dbraw/zinc/07/61/46/328076146.db2.gz DEWZRBWQHHYMGC-RVMXOQNASA-N 2 2 282.388 -0.162 20 0 CBADLP C[N@@H+]1CCN(C(=O)N[C@@H]2C[C@@H]3OCCC[C@H]23)[C@H](C[NH3+])C1 ZINC000563595376 328076155 /nfs/dbraw/zinc/07/61/55/328076155.db2.gz DEWZRBWQHHYMGC-LPWJVIDDSA-N 2 2 282.388 -0.162 20 0 CBADLP C[N@H+]1CCN(C(=O)N[C@@H]2C[C@@H]3OCCC[C@H]23)[C@H](C[NH3+])C1 ZINC000563595376 328076157 /nfs/dbraw/zinc/07/61/57/328076157.db2.gz DEWZRBWQHHYMGC-LPWJVIDDSA-N 2 2 282.388 -0.162 20 0 CBADLP C[N@@H+]1CCN(C(=O)NCC[C@H]2CCC[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000563599316 328076318 /nfs/dbraw/zinc/07/63/18/328076318.db2.gz VGHWGZTYAKLIJO-OLZOCXBDSA-N 3 2 283.420 -0.340 20 0 CBADLP C[N@H+]1CCN(C(=O)NCC[C@H]2CCC[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000563599316 328076320 /nfs/dbraw/zinc/07/63/20/328076320.db2.gz VGHWGZTYAKLIJO-OLZOCXBDSA-N 3 2 283.420 -0.340 20 0 CBADLP CCN(CC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)C1CC1 ZINC000563617196 328077020 /nfs/dbraw/zinc/07/70/20/328077020.db2.gz DGFPJRKSXPDWGI-OAHLLOKOSA-N 2 2 284.448 -0.331 20 0 CBADLP CC[N@H+](CCNC[C@@H](O)C[NH+]1CCN(C)CC1)C1CC1 ZINC000563617196 328077022 /nfs/dbraw/zinc/07/70/22/328077022.db2.gz DGFPJRKSXPDWGI-OAHLLOKOSA-N 2 2 284.448 -0.331 20 0 CBADLP CC[N@@H+](CCNC[C@@H](O)C[NH+]1CCN(C)CC1)C1CC1 ZINC000563617196 328077023 /nfs/dbraw/zinc/07/70/23/328077023.db2.gz DGFPJRKSXPDWGI-OAHLLOKOSA-N 2 2 284.448 -0.331 20 0 CBADLP [NH3+][C@H]1CCN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000563638099 328079869 /nfs/dbraw/zinc/07/98/69/328079869.db2.gz RYTDYPKZZBJKAO-VIFPVBQESA-N 2 2 273.296 -0.168 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1cn[nH]c1 ZINC000571222410 328093081 /nfs/dbraw/zinc/09/30/81/328093081.db2.gz MYPHVNLODLHDKO-JQWIXIFHSA-N 2 2 256.350 -0.001 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1cn[nH]c1 ZINC000571222410 328093082 /nfs/dbraw/zinc/09/30/82/328093082.db2.gz MYPHVNLODLHDKO-JQWIXIFHSA-N 2 2 256.350 -0.001 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000571288207 328098435 /nfs/dbraw/zinc/09/84/35/328098435.db2.gz SLVFNZVTFDIJHH-WCQYABFASA-N 2 2 255.362 -0.035 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000571288207 328098437 /nfs/dbraw/zinc/09/84/37/328098437.db2.gz SLVFNZVTFDIJHH-WCQYABFASA-N 2 2 255.362 -0.035 20 0 CBADLP COC(=O)CCC[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000571316028 328104846 /nfs/dbraw/zinc/10/48/46/328104846.db2.gz SFGQEKZPLKGOEX-UPJWGTAASA-N 2 2 288.388 -0.001 20 0 CBADLP O=C(Nc1cc[nH+]cc1O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000571438264 328122203 /nfs/dbraw/zinc/12/22/03/328122203.db2.gz CJVBCAKMIHRCIJ-VIFPVBQESA-N 2 2 288.311 -0.195 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@]23C[C@H]2CC[NH2+]3)CCO1 ZINC000571526017 328131830 /nfs/dbraw/zinc/13/18/30/328131830.db2.gz KIRADWBLZAHUHO-WZRBSPASSA-N 2 2 253.346 -0.425 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@]23C[C@H]2CC[NH2+]3)CCO1 ZINC000571526017 328131832 /nfs/dbraw/zinc/13/18/32/328131832.db2.gz KIRADWBLZAHUHO-WZRBSPASSA-N 2 2 253.346 -0.425 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](C)[C@H]1CO ZINC000394107743 329100099 /nfs/dbraw/zinc/10/00/99/329100099.db2.gz DXEOJMHACFWXKN-RWMBFGLXSA-N 2 2 260.378 -0.372 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](C)[C@H]1CO ZINC000394107743 329100101 /nfs/dbraw/zinc/10/01/01/329100101.db2.gz DXEOJMHACFWXKN-RWMBFGLXSA-N 2 2 260.378 -0.372 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](C)[C@H]1CO ZINC000394107743 329100103 /nfs/dbraw/zinc/10/01/03/329100103.db2.gz DXEOJMHACFWXKN-RWMBFGLXSA-N 2 2 260.378 -0.372 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](C)[C@H]1CO ZINC000394107743 329100104 /nfs/dbraw/zinc/10/01/04/329100104.db2.gz DXEOJMHACFWXKN-RWMBFGLXSA-N 2 2 260.378 -0.372 20 0 CBADLP C[C@]1(C[NH3+])CC[N@H+](CC(=O)NC[C@@H]2CCCO2)C1 ZINC000394063928 329100697 /nfs/dbraw/zinc/10/06/97/329100697.db2.gz SYYPCFZKLLGVIT-WCQYABFASA-N 2 2 255.362 -0.048 20 0 CBADLP C[C@]1(C[NH3+])CC[N@@H+](CC(=O)NC[C@@H]2CCCO2)C1 ZINC000394063928 329100698 /nfs/dbraw/zinc/10/06/98/329100698.db2.gz SYYPCFZKLLGVIT-WCQYABFASA-N 2 2 255.362 -0.048 20 0 CBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C[NH+]1CC(C)(C)C1 ZINC000583943602 326803937 /nfs/dbraw/zinc/80/39/37/326803937.db2.gz OOGGYACDKNGLGB-CYBMUJFWSA-N 2 2 299.415 -0.520 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](N2CCCC2=O)C1 ZINC000565724606 327000073 /nfs/dbraw/zinc/00/00/73/327000073.db2.gz PHUNMLGQPBUJSL-CHWSQXEVSA-N 2 2 269.389 -0.004 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](N2CCCC2=O)C1 ZINC000565724606 327000074 /nfs/dbraw/zinc/00/00/74/327000074.db2.gz PHUNMLGQPBUJSL-CHWSQXEVSA-N 2 2 269.389 -0.004 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000565724606 327000075 /nfs/dbraw/zinc/00/00/75/327000075.db2.gz PHUNMLGQPBUJSL-CHWSQXEVSA-N 2 2 269.389 -0.004 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000565724606 327000077 /nfs/dbraw/zinc/00/00/77/327000077.db2.gz PHUNMLGQPBUJSL-CHWSQXEVSA-N 2 2 269.389 -0.004 20 0 CBADLP C[NH+](C)C[C@@](C)(O)CNC(=O)C[NH+]1CC(C)(C)C1 ZINC000557657612 327019318 /nfs/dbraw/zinc/01/93/18/327019318.db2.gz ZGHGAEIYWKNZBH-ZDUSSCGKSA-N 2 2 257.378 -0.243 20 0 CBADLP C[NH2+][C@@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCN(C)CC2)C1 ZINC000569003736 327028603 /nfs/dbraw/zinc/02/86/03/327028603.db2.gz RATVOCOMHRFZIL-CHWSQXEVSA-N 2 2 268.405 -0.167 20 0 CBADLP COC[C@]1(C(=O)NCCc2[nH]cc[nH+]2)CC[NH2+]C1 ZINC000381161351 327131856 /nfs/dbraw/zinc/13/18/56/327131856.db2.gz GOEYEBNCLHTVOV-LBPRGKRZSA-N 2 2 252.318 -0.306 20 0 CBADLP COC[C@@]1(C(=O)N[C@H](C)C[NH+]2CCN(C)CC2)CC[NH2+]C1 ZINC000566179890 327157887 /nfs/dbraw/zinc/15/78/87/327157887.db2.gz VZNYNQQPVYFLRM-UKRRQHHQSA-N 2 2 298.431 -0.635 20 0 CBADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+][C@@H]2CCC(=O)N(C)C2)C[C@H](C)O1 ZINC000569475923 327183093 /nfs/dbraw/zinc/18/30/93/327183093.db2.gz OVKVZIJOKBTGMF-XJFOESAGSA-N 2 2 299.415 -0.333 20 0 CBADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+][C@@H]2CCC(=O)N(C)C2)C[C@H](C)O1 ZINC000569475923 327183095 /nfs/dbraw/zinc/18/30/95/327183095.db2.gz OVKVZIJOKBTGMF-XJFOESAGSA-N 2 2 299.415 -0.333 20 0 CBADLP C[C@H](O)C[N@@H+]1CCN(C(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC000569522775 327191529 /nfs/dbraw/zinc/19/15/29/327191529.db2.gz CVAHVRJZQGEXRG-NEPJUHHUSA-N 2 2 266.345 -0.203 20 0 CBADLP C[C@H](O)C[N@H+]1CCN(C(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC000569522775 327191530 /nfs/dbraw/zinc/19/15/30/327191530.db2.gz CVAHVRJZQGEXRG-NEPJUHHUSA-N 2 2 266.345 -0.203 20 0 CBADLP C[NH2+][C@@H](C(=O)N1CC[NH2+]C[C@](C)(F)C1)c1cnn(C)c1 ZINC000584290718 327222954 /nfs/dbraw/zinc/22/29/54/327222954.db2.gz AOHGDQAVQVLDBH-YPMHNXCESA-N 2 2 283.351 -0.159 20 0 CBADLP CCN(CC)C(=O)[C@H](C)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000574292612 327311281 /nfs/dbraw/zinc/31/12/81/327311281.db2.gz OZDCKNFPXXOURW-TUAOUCFPSA-N 2 2 282.388 -0.513 20 0 CBADLP CCN(CC)C(=O)[C@H](C)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000574292612 327311283 /nfs/dbraw/zinc/31/12/83/327311283.db2.gz OZDCKNFPXXOURW-TUAOUCFPSA-N 2 2 282.388 -0.513 20 0 CBADLP COC(=O)C[C@H]([NH3+])C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000583383890 327336946 /nfs/dbraw/zinc/33/69/46/327336946.db2.gz XOOSHNNCGAJWIM-ZJUUUORDSA-N 2 2 268.317 -0.474 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000583389800 327339620 /nfs/dbraw/zinc/33/96/20/327339620.db2.gz XLALNMVKHKIJOR-GHMZBOCLSA-N 2 2 253.350 -0.093 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000583389800 327339621 /nfs/dbraw/zinc/33/96/21/327339621.db2.gz XLALNMVKHKIJOR-GHMZBOCLSA-N 2 2 253.350 -0.093 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000583389800 327339623 /nfs/dbraw/zinc/33/96/23/327339623.db2.gz XLALNMVKHKIJOR-GHMZBOCLSA-N 2 2 253.350 -0.093 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000583389800 327339625 /nfs/dbraw/zinc/33/96/25/327339625.db2.gz XLALNMVKHKIJOR-GHMZBOCLSA-N 2 2 253.350 -0.093 20 0 CBADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](CC(=O)N3CCCCC3)CCN2C1=O ZINC000583392801 327340833 /nfs/dbraw/zinc/34/08/33/327340833.db2.gz QFOSXPVBDBIOBO-VXGBXAGGSA-N 2 2 280.372 -0.757 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000574530248 327343793 /nfs/dbraw/zinc/34/37/93/327343793.db2.gz VNBFKYYIYYLDTE-RYUDHWBXSA-N 2 2 293.433 -0.701 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000574530248 327343795 /nfs/dbraw/zinc/34/37/95/327343795.db2.gz VNBFKYYIYYLDTE-RYUDHWBXSA-N 2 2 293.433 -0.701 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000574530248 327343797 /nfs/dbraw/zinc/34/37/97/327343797.db2.gz VNBFKYYIYYLDTE-RYUDHWBXSA-N 2 2 293.433 -0.701 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000574530248 327343798 /nfs/dbraw/zinc/34/37/98/327343798.db2.gz VNBFKYYIYYLDTE-RYUDHWBXSA-N 2 2 293.433 -0.701 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000564997222 327352521 /nfs/dbraw/zinc/35/25/21/327352521.db2.gz LSEYZQUVZPBORE-CQSZACIVSA-N 2 2 280.372 -0.980 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NC[C@@H]1CCC[NH+](C)C1 ZINC000561160464 327370568 /nfs/dbraw/zinc/37/05/68/327370568.db2.gz GJZIBQOCPOEAGU-ZDUSSCGKSA-N 2 2 298.431 -0.099 20 0 CBADLP CC(C)NC(=O)C[NH+](C)CC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000561160464 327370570 /nfs/dbraw/zinc/37/05/70/327370570.db2.gz GJZIBQOCPOEAGU-ZDUSSCGKSA-N 2 2 298.431 -0.099 20 0 CBADLP CC(C)NC(=O)C[NH+](C)CC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000561160464 327370572 /nfs/dbraw/zinc/37/05/72/327370572.db2.gz GJZIBQOCPOEAGU-ZDUSSCGKSA-N 2 2 298.431 -0.099 20 0 CBADLP CCNC(=O)NC(=O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000569784815 327546647 /nfs/dbraw/zinc/54/66/47/327546647.db2.gz VHSAEYPGQOCCSS-UHFFFAOYSA-N 2 2 280.332 -0.623 20 0 CBADLP COC(=O)C[C@H]([NH3+])C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000570088964 327568162 /nfs/dbraw/zinc/56/81/62/327568162.db2.gz RMIZWIGWWZLOIJ-NEPJUHHUSA-N 2 2 299.371 -0.943 20 0 CBADLP CC[C@]1(O)CC[N@H+](C[C@H](O)C[NH+](C)CCOC)C1 ZINC000582614565 329117583 /nfs/dbraw/zinc/11/75/83/329117583.db2.gz HTVRJXGKHYIFAV-OLZOCXBDSA-N 2 2 260.378 -0.228 20 0 CBADLP CC[C@]1(O)CC[N@@H+](C[C@H](O)C[NH+](C)CCOC)C1 ZINC000582614565 329117585 /nfs/dbraw/zinc/11/75/85/329117585.db2.gz HTVRJXGKHYIFAV-OLZOCXBDSA-N 2 2 260.378 -0.228 20 0 CBADLP CC[C@]1(O)CC[NH+](C[C@H](O)C[N@H+](C)CCOC)C1 ZINC000582614565 329117586 /nfs/dbraw/zinc/11/75/86/329117586.db2.gz HTVRJXGKHYIFAV-OLZOCXBDSA-N 2 2 260.378 -0.228 20 0 CBADLP CC[C@]1(O)CC[NH+](C[C@H](O)C[N@@H+](C)CCOC)C1 ZINC000582614565 329117588 /nfs/dbraw/zinc/11/75/88/329117588.db2.gz HTVRJXGKHYIFAV-OLZOCXBDSA-N 2 2 260.378 -0.228 20 0 CBADLP Cc1csc(=O)n1CC[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000582856412 329281369 /nfs/dbraw/zinc/28/13/69/329281369.db2.gz ADQDOJIHARYNEI-WDEREUQCSA-N 2 2 296.396 -0.538 20 0 CBADLP Cc1csc(=O)n1CC[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000582856412 329281370 /nfs/dbraw/zinc/28/13/70/329281370.db2.gz ADQDOJIHARYNEI-WDEREUQCSA-N 2 2 296.396 -0.538 20 0 CBADLP Cn1cc(C[NH+]2CCN(C(=O)C[NH2+]C3CC3)CC2)cn1 ZINC000583202548 329361842 /nfs/dbraw/zinc/36/18/42/329361842.db2.gz XNANADWKQFTASR-UHFFFAOYSA-N 2 2 277.372 -0.184 20 0 CBADLP Cn1cnnc1C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000583204549 329364232 /nfs/dbraw/zinc/36/42/32/329364232.db2.gz YEBQVDGMWYELKN-LBPRGKRZSA-N 2 2 292.387 -0.541 20 0 CBADLP Cn1cnnc1C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000583204549 329364234 /nfs/dbraw/zinc/36/42/34/329364234.db2.gz YEBQVDGMWYELKN-LBPRGKRZSA-N 2 2 292.387 -0.541 20 0 CBADLP O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000571941439 329932441 /nfs/dbraw/zinc/93/24/41/329932441.db2.gz MNLSINPNRGZWSG-NWDGAFQWSA-N 2 2 291.355 -0.648 20 0 CBADLP C[C@@H](O)C(=O)N1CC[NH+](CCCc2c[nH+]cn2C)CC1 ZINC000572011238 329937143 /nfs/dbraw/zinc/93/71/43/329937143.db2.gz BIAJWQQATQZUQG-GFCCVEGCSA-N 2 2 280.372 -0.122 20 0 CBADLP C[C@H](O)C(=O)N1CC[NH+](CCCc2c[nH+]cn2C)CC1 ZINC000572011242 329937148 /nfs/dbraw/zinc/93/71/48/329937148.db2.gz BIAJWQQATQZUQG-LBPRGKRZSA-N 2 2 280.372 -0.122 20 0 CBADLP COC(=O)N(C)CCCC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000162431020 330028967 /nfs/dbraw/zinc/02/89/67/330028967.db2.gz JLUCFYYYARZQRC-NSHDSACASA-N 2 2 286.376 -0.434 20 0 CBADLP CC(C)N(C(=O)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)C(C)C ZINC000572424302 330067619 /nfs/dbraw/zinc/06/76/19/330067619.db2.gz CYYTUTVLHQVUGG-OLZOCXBDSA-N 2 2 296.415 -0.124 20 0 CBADLP CC(C)N(C(=O)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)C(C)C ZINC000572424302 330067620 /nfs/dbraw/zinc/06/76/20/330067620.db2.gz CYYTUTVLHQVUGG-OLZOCXBDSA-N 2 2 296.415 -0.124 20 0 CBADLP C[N@@H+]1CCN(C(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)[C@H](C[NH3+])C1 ZINC000574987896 330117191 /nfs/dbraw/zinc/11/71/91/330117191.db2.gz ZLMHFDGRNWBKBL-NWDGAFQWSA-N 2 2 296.415 -0.265 20 0 CBADLP C[N@H+]1CCN(C(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)[C@H](C[NH3+])C1 ZINC000574987896 330117192 /nfs/dbraw/zinc/11/71/92/330117192.db2.gz ZLMHFDGRNWBKBL-NWDGAFQWSA-N 2 2 296.415 -0.265 20 0 CBADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)C1(C)C[NH2+]C1 ZINC000575745133 335111063 /nfs/dbraw/zinc/11/10/63/335111063.db2.gz IANHVIKAEROWBO-LLVKDONJSA-N 2 2 254.378 -0.652 20 0 CBADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000553094017 334361084 /nfs/dbraw/zinc/36/10/84/334361084.db2.gz SOUBMWKQNMEAMS-TZMCWYRMSA-N 2 2 291.399 -0.193 20 0 CBADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000553094017 334361086 /nfs/dbraw/zinc/36/10/86/334361086.db2.gz SOUBMWKQNMEAMS-TZMCWYRMSA-N 2 2 291.399 -0.193 20 0 CBADLP C[C@@H](C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C)[NH+]1CCN(C)CC1 ZINC000575803780 335117040 /nfs/dbraw/zinc/11/70/40/335117040.db2.gz FUUSXAVUFAQHOS-UPJWGTAASA-N 2 2 268.405 -0.169 20 0 CBADLP Cn1nnnc1C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000575869286 335126303 /nfs/dbraw/zinc/12/63/03/335126303.db2.gz FMGOOACJTYMPRV-PWSUYJOCSA-N 2 2 266.349 -0.462 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)CC1(CO)CC1 ZINC000575932587 335133084 /nfs/dbraw/zinc/13/30/84/335133084.db2.gz OJIVGGOTNBRQLQ-GFCCVEGCSA-N 2 2 260.378 -0.370 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)CC1(CO)CC1 ZINC000575932587 335133085 /nfs/dbraw/zinc/13/30/85/335133085.db2.gz OJIVGGOTNBRQLQ-GFCCVEGCSA-N 2 2 260.378 -0.370 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)CC1(CO)CC1 ZINC000575932587 335133087 /nfs/dbraw/zinc/13/30/87/335133087.db2.gz OJIVGGOTNBRQLQ-GFCCVEGCSA-N 2 2 260.378 -0.370 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)CC1(CO)CC1 ZINC000575932587 335133089 /nfs/dbraw/zinc/13/30/89/335133089.db2.gz OJIVGGOTNBRQLQ-GFCCVEGCSA-N 2 2 260.378 -0.370 20 0 CBADLP [NH3+][C@H](C(=O)NCCN1CC[NH2+]CC1)c1c(F)cccc1F ZINC000566203795 334635393 /nfs/dbraw/zinc/63/53/93/334635393.db2.gz ANTGYIQHOROEAL-ZDUSSCGKSA-N 2 2 298.337 -0.014 20 0 CBADLP CC[NH+]1CCC(NC(=O)C[NH+]2CC(C)(C(N)=O)C2)CC1 ZINC000566736036 334662124 /nfs/dbraw/zinc/66/21/24/334662124.db2.gz SWPSJUIJPZRILZ-UHFFFAOYSA-N 2 2 282.388 -0.606 20 0 CBADLP Cn1cc[nH+]c1CNC(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000566803225 334665144 /nfs/dbraw/zinc/66/51/44/334665144.db2.gz WUFLPOHHUBRATJ-UHFFFAOYSA-N 2 2 293.371 -0.376 20 0 CBADLP CC(C)(CNC(=O)[C@]12C[C@H]1CC[NH2+]2)[NH+]1CCOCC1 ZINC000567969250 334779835 /nfs/dbraw/zinc/77/98/35/334779835.db2.gz TUUKRTIJAFFPQP-RISCZKNCSA-N 2 2 267.373 -0.035 20 0 CBADLP C[C@@H](NC(=O)N[C@H]1CC[NH2+]C1)[C@@H](C)[NH+]1CCOCC1 ZINC000568294378 334813611 /nfs/dbraw/zinc/81/36/11/334813611.db2.gz QGAKKAJPQSTOMJ-UTUOFQBUSA-N 2 2 270.377 -0.243 20 0 CBADLP C[C@@](C[NH3+])([NH2+]CC(=O)NC[C@H]1CCCO1)C1CC1 ZINC000576280309 335181962 /nfs/dbraw/zinc/18/19/62/335181962.db2.gz IVRIIVWUVJDILQ-YPMHNXCESA-N 2 2 255.362 -0.001 20 0 CBADLP CO[C@@H](CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])C(C)C ZINC000576492205 335211441 /nfs/dbraw/zinc/21/14/41/335211441.db2.gz BLHJISCMTCCVEL-NEPJUHHUSA-N 2 2 272.393 -0.058 20 0 CBADLP COCC[C@H](CO)[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000576517746 335213803 /nfs/dbraw/zinc/21/38/03/335213803.db2.gz OYBDCMHVJBQFJN-XJFOESAGSA-N 2 2 290.404 -0.557 20 0 CBADLP COCC[C@H](CO)[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000576517746 335213805 /nfs/dbraw/zinc/21/38/05/335213805.db2.gz OYBDCMHVJBQFJN-XJFOESAGSA-N 2 2 290.404 -0.557 20 0 CBADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)C[NH2+]C2CC2)CC1 ZINC000576607498 335225973 /nfs/dbraw/zinc/22/59/73/335225973.db2.gz AHECUKFKYFVVQQ-NSHDSACASA-N 2 2 294.399 -0.450 20 0 CBADLP C[N@@H+]1CCN(C(=O)[C@H]2CCCCC(=O)N2)[C@@H](C[NH3+])C1 ZINC000576635104 335228581 /nfs/dbraw/zinc/22/85/81/335228581.db2.gz ZNMIAUDRZKGRAR-WDEREUQCSA-N 2 2 268.361 -0.854 20 0 CBADLP C[N@H+]1CCN(C(=O)[C@H]2CCCCC(=O)N2)[C@@H](C[NH3+])C1 ZINC000576635104 335228582 /nfs/dbraw/zinc/22/85/82/335228582.db2.gz ZNMIAUDRZKGRAR-WDEREUQCSA-N 2 2 268.361 -0.854 20 0 CBADLP CC[N@@H+]1CCOC[C@@H]1C(=O)N(CCOC)CC[NH+](C)C ZINC000576875118 335258632 /nfs/dbraw/zinc/25/86/32/335258632.db2.gz CLNVCTKWIVJWHP-CYBMUJFWSA-N 2 2 287.404 -0.256 20 0 CBADLP CC[N@H+]1CCOC[C@@H]1C(=O)N(CCOC)CC[NH+](C)C ZINC000576875118 335258633 /nfs/dbraw/zinc/25/86/33/335258633.db2.gz CLNVCTKWIVJWHP-CYBMUJFWSA-N 2 2 287.404 -0.256 20 0 CBADLP COCCCS(=O)(=O)NCC[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000576954546 335269297 /nfs/dbraw/zinc/26/92/97/335269297.db2.gz RHUBTBWRMQSQRR-RYUDHWBXSA-N 2 2 293.433 -0.246 20 0 CBADLP COCCCS(=O)(=O)NCC[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000576954546 335269298 /nfs/dbraw/zinc/26/92/98/335269298.db2.gz RHUBTBWRMQSQRR-RYUDHWBXSA-N 2 2 293.433 -0.246 20 0 CBADLP COCCCS(=O)(=O)NCC[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000576954547 335269429 /nfs/dbraw/zinc/26/94/29/335269429.db2.gz RHUBTBWRMQSQRR-VXGBXAGGSA-N 2 2 293.433 -0.246 20 0 CBADLP COCCCS(=O)(=O)NCC[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000576954547 335269430 /nfs/dbraw/zinc/26/94/30/335269430.db2.gz RHUBTBWRMQSQRR-VXGBXAGGSA-N 2 2 293.433 -0.246 20 0 CBADLP C[C@H](C(=O)N1CCCCC1)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000577077299 335296498 /nfs/dbraw/zinc/29/64/98/335296498.db2.gz IPIVJUXAKFFKHJ-FRRDWIJNSA-N 2 2 294.399 -0.369 20 0 CBADLP O=C(C(=O)N1CC[NH+](C2CC2)CC1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000577171265 335314336 /nfs/dbraw/zinc/31/43/36/335314336.db2.gz YIDDABKJRZXKJH-YPMHNXCESA-N 2 2 292.383 -0.887 20 0 CBADLP O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000580658807 335314741 /nfs/dbraw/zinc/31/47/41/335314741.db2.gz FNNACUPEZZCELX-MNOVXSKESA-N 2 2 291.355 -0.406 20 0 CBADLP CN(CCC[NH3+])C(=O)C(=O)NCCCNc1cccc[nH+]1 ZINC000577193224 335320394 /nfs/dbraw/zinc/32/03/94/335320394.db2.gz XXCVTZVPLGYBFK-UHFFFAOYSA-N 2 2 293.371 -0.193 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000577367236 335343272 /nfs/dbraw/zinc/34/32/72/335343272.db2.gz KCHXHDGDKQXIEE-VXGBXAGGSA-N 2 2 270.377 -0.242 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000577367236 335343273 /nfs/dbraw/zinc/34/32/73/335343273.db2.gz KCHXHDGDKQXIEE-VXGBXAGGSA-N 2 2 270.377 -0.242 20 0 CBADLP C[NH2+][C@H](C(=O)NCC[N@@H+]1CCCOCC1)c1cnn(C)c1 ZINC000577392051 335347784 /nfs/dbraw/zinc/34/77/84/335347784.db2.gz KFXFTWDBNGUVSG-ZDUSSCGKSA-N 2 2 295.387 -0.481 20 0 CBADLP C[NH2+][C@H](C(=O)NCC[N@H+]1CCCOCC1)c1cnn(C)c1 ZINC000577392051 335347785 /nfs/dbraw/zinc/34/77/85/335347785.db2.gz KFXFTWDBNGUVSG-ZDUSSCGKSA-N 2 2 295.387 -0.481 20 0 CBADLP C[N@@H+]1CCN(C(=O)NCC2([NH3+])CCC2)[C@H](C[NH3+])C1 ZINC000577726522 335392893 /nfs/dbraw/zinc/39/28/93/335392893.db2.gz NTYLCHALMVNEOJ-SNVBAGLBSA-N 3 2 255.366 -0.848 20 0 CBADLP C[N@H+]1CCN(C(=O)NCC2([NH3+])CCC2)[C@H](C[NH3+])C1 ZINC000577726522 335392895 /nfs/dbraw/zinc/39/28/95/335392895.db2.gz NTYLCHALMVNEOJ-SNVBAGLBSA-N 3 2 255.366 -0.848 20 0 CBADLP C[C@H](c1nnnn1C)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000577730954 335393498 /nfs/dbraw/zinc/39/34/98/335393498.db2.gz ITVCSKVPYUXSDK-NXEZZACHSA-N 2 2 281.364 -0.942 20 0 CBADLP C[C@H](c1nnnn1C)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000577730954 335393500 /nfs/dbraw/zinc/39/35/00/335393500.db2.gz ITVCSKVPYUXSDK-NXEZZACHSA-N 2 2 281.364 -0.942 20 0 CBADLP C[C@@H](c1nnnn1C)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000577730955 335393527 /nfs/dbraw/zinc/39/35/27/335393527.db2.gz ITVCSKVPYUXSDK-UWVGGRQHSA-N 2 2 281.364 -0.942 20 0 CBADLP C[C@@H](c1nnnn1C)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000577730955 335393529 /nfs/dbraw/zinc/39/35/29/335393529.db2.gz ITVCSKVPYUXSDK-UWVGGRQHSA-N 2 2 281.364 -0.942 20 0 CBADLP Cn1cc(C[NH+]2CCN(C(=O)[C@H]3C[C@@H]([NH3+])C3)CC2)cn1 ZINC000577735102 335394450 /nfs/dbraw/zinc/39/44/50/335394450.db2.gz VSQFRYMDHGAPHF-BETUJISGSA-N 2 2 277.372 -0.198 20 0 CBADLP CC1(C)COCC[N@@H+]1CCNC(=O)COC1CC[NH2+]CC1 ZINC000577747574 335396404 /nfs/dbraw/zinc/39/64/04/335396404.db2.gz OGFXSCAIUDCILB-UHFFFAOYSA-N 2 2 299.415 -0.018 20 0 CBADLP CC1(C)COCC[N@H+]1CCNC(=O)COC1CC[NH2+]CC1 ZINC000577747574 335396405 /nfs/dbraw/zinc/39/64/05/335396405.db2.gz OGFXSCAIUDCILB-UHFFFAOYSA-N 2 2 299.415 -0.018 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC(O)(C[NH3+])CC2)CC1 ZINC000577875825 335415904 /nfs/dbraw/zinc/41/59/04/335415904.db2.gz CEVVQNWXBHQEHW-CYBMUJFWSA-N 3 2 298.431 -0.675 20 0 CBADLP C[N@@H+]1CCN(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)[C@H](C[NH3+])C1 ZINC000581241206 336029470 /nfs/dbraw/zinc/02/94/70/336029470.db2.gz NZNDKLWZFBQDKN-JHJVBQTASA-N 3 2 283.420 -0.212 20 0 CBADLP C[N@H+]1CCN(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)[C@H](C[NH3+])C1 ZINC000581241206 336029473 /nfs/dbraw/zinc/02/94/73/336029473.db2.gz NZNDKLWZFBQDKN-JHJVBQTASA-N 3 2 283.420 -0.212 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000382396505 336086750 /nfs/dbraw/zinc/08/67/50/336086750.db2.gz WCBOSXBSRJBQBI-NEPJUHHUSA-N 2 2 293.433 -0.735 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000382396505 336086751 /nfs/dbraw/zinc/08/67/51/336086751.db2.gz WCBOSXBSRJBQBI-NEPJUHHUSA-N 2 2 293.433 -0.735 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000382396505 336086752 /nfs/dbraw/zinc/08/67/52/336086752.db2.gz WCBOSXBSRJBQBI-NEPJUHHUSA-N 2 2 293.433 -0.735 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000382396505 336086753 /nfs/dbraw/zinc/08/67/53/336086753.db2.gz WCBOSXBSRJBQBI-NEPJUHHUSA-N 2 2 293.433 -0.735 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000382396507 336086927 /nfs/dbraw/zinc/08/69/27/336086927.db2.gz WCBOSXBSRJBQBI-RYUDHWBXSA-N 2 2 293.433 -0.735 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000382396507 336086929 /nfs/dbraw/zinc/08/69/29/336086929.db2.gz WCBOSXBSRJBQBI-RYUDHWBXSA-N 2 2 293.433 -0.735 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000382396507 336086930 /nfs/dbraw/zinc/08/69/30/336086930.db2.gz WCBOSXBSRJBQBI-RYUDHWBXSA-N 2 2 293.433 -0.735 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000382396507 336086932 /nfs/dbraw/zinc/08/69/32/336086932.db2.gz WCBOSXBSRJBQBI-RYUDHWBXSA-N 2 2 293.433 -0.735 20 0 CBADLP C[C@@H]([NH2+]C1CC1)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000382935834 336098779 /nfs/dbraw/zinc/09/87/79/336098779.db2.gz HELPNJULTOSDBZ-WDEREUQCSA-N 2 2 255.362 -0.036 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H](C)[NH2+]C1CC1 ZINC000382935586 336098898 /nfs/dbraw/zinc/09/88/98/336098898.db2.gz HELPNJULTOSDBZ-MNOVXSKESA-N 2 2 255.362 -0.036 20 0 CBADLP C[C@@H]1C[C@H](C)N(C(=O)CN2CC[NH2+]CC2=O)C[C@H]1C[NH3+] ZINC000581601820 336109933 /nfs/dbraw/zinc/10/99/33/336109933.db2.gz FFXHASHBMLLXSZ-GRYCIOLGSA-N 2 2 282.388 -0.750 20 0 CBADLP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@@H]2CCCc3c[nH]nc32)CC1 ZINC000581603532 336110385 /nfs/dbraw/zinc/11/03/85/336110385.db2.gz ZTTDOWCIDAXLON-UONOGXRCSA-N 2 2 293.415 -0.015 20 0 CBADLP C[C@@H](C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])c1ccnn1C ZINC000581606540 336111133 /nfs/dbraw/zinc/11/11/33/336111133.db2.gz RWVFBLVPASEPDT-MNOVXSKESA-N 2 2 265.361 -0.375 20 0 CBADLP C[C@@H](C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])c1ccnn1C ZINC000581606540 336111134 /nfs/dbraw/zinc/11/11/34/336111134.db2.gz RWVFBLVPASEPDT-MNOVXSKESA-N 2 2 265.361 -0.375 20 0 CBADLP COC(=O)CCNC(=O)C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000581608414 336111724 /nfs/dbraw/zinc/11/17/24/336111724.db2.gz DEENKOTVNHUUFG-UWVGGRQHSA-N 2 2 257.334 -0.665 20 0 CBADLP COC(=O)CCNC(=O)C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000581608414 336111723 /nfs/dbraw/zinc/11/17/23/336111723.db2.gz DEENKOTVNHUUFG-UWVGGRQHSA-N 2 2 257.334 -0.665 20 0 CBADLP C[NH+](C)[C@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@@H]1O ZINC000581617814 336113519 /nfs/dbraw/zinc/11/35/19/336113519.db2.gz FHODXTGLQAADAM-WXHSDQCUSA-N 2 2 278.356 -0.421 20 0 CBADLP CCNC(=O)C[NH+]1CCN(C[C@H](O)C[N@H+](C)CC)CC1 ZINC000581674778 336126838 /nfs/dbraw/zinc/12/68/38/336126838.db2.gz WICQBMUHISMZDG-CYBMUJFWSA-N 2 2 286.420 -0.947 20 0 CBADLP CCNC(=O)C[NH+]1CCN(C[C@H](O)C[N@@H+](C)CC)CC1 ZINC000581674778 336126839 /nfs/dbraw/zinc/12/68/39/336126839.db2.gz WICQBMUHISMZDG-CYBMUJFWSA-N 2 2 286.420 -0.947 20 0 CBADLP CCCC[C@@H](C[NH3+])NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000581716183 336136124 /nfs/dbraw/zinc/13/61/24/336136124.db2.gz QLPIIHATHHECPK-RYUDHWBXSA-N 3 2 271.409 -0.212 20 0 CBADLP COCCCNC(=O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000386852224 336180815 /nfs/dbraw/zinc/18/08/15/336180815.db2.gz SWKXUASDBYYJQQ-VXGBXAGGSA-N 2 2 255.362 -0.177 20 0 CBADLP COCCCNC(=O)C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000386852224 336180816 /nfs/dbraw/zinc/18/08/16/336180816.db2.gz SWKXUASDBYYJQQ-VXGBXAGGSA-N 2 2 255.362 -0.177 20 0 CBADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1N1CC[NH+](CCO)CC1 ZINC000377026232 533904237 /nfs/dbraw/zinc/90/42/37/533904237.db2.gz AHMHKAJTQTUKHJ-CABCVRRESA-N 2 2 298.431 -0.694 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1[NH2+]CCO[C@@H]1C)C[NH+]1CCOCC1 ZINC000494046755 534027926 /nfs/dbraw/zinc/02/79/26/534027926.db2.gz CLKQEJCDGFPCOE-XQQFMLRXSA-N 2 2 285.388 -0.552 20 0 CBADLP C[C@H](C(=O)N[C@@H](C)C[C@H](C)[NH3+])[NH+]1CCN(C)CC1 ZINC000520409787 518181584 /nfs/dbraw/zinc/18/15/84/518181584.db2.gz XBLQHNUVIRWIML-SDDRHHMPSA-N 2 2 256.394 -0.136 20 0 CBADLP C[C@H](NC(=O)[C@H]1CC[NH2+]C1)[C@H](C)[NH+]1CCOCC1 ZINC000262652608 518183013 /nfs/dbraw/zinc/18/30/13/518183013.db2.gz AXLSTMUZNZDZDD-SRVKXCTJSA-N 2 2 255.362 -0.179 20 0 CBADLP COCC[N@H+](C)CC[NH2+]C[C@H](O)Cn1cccn1 ZINC000061378487 523604011 /nfs/dbraw/zinc/60/40/11/523604011.db2.gz BCETUADTSOEEFX-LBPRGKRZSA-N 2 2 256.350 -0.588 20 0 CBADLP COCC[N@@H+](C)CC[NH2+]C[C@H](O)Cn1cccn1 ZINC000061378487 523604017 /nfs/dbraw/zinc/60/40/17/523604017.db2.gz BCETUADTSOEEFX-LBPRGKRZSA-N 2 2 256.350 -0.588 20 0 CBADLP COCC[NH+]1CCN(C(=O)C2(OC)CC[NH2+]CC2)CC1 ZINC000164005644 523839208 /nfs/dbraw/zinc/83/92/08/523839208.db2.gz XGUDNQDJFJXIFI-UHFFFAOYSA-N 2 2 285.388 -0.454 20 0 CBADLP O=C1[C@@H]([NH2+]C2COC2)CCCN1CC[NH+]1CCOCC1 ZINC000376861017 534828586 /nfs/dbraw/zinc/82/85/86/534828586.db2.gz QYSFMTOGMHIACA-ZDUSSCGKSA-N 2 2 283.372 -0.702 20 0 CBADLP CC(C)([NH3+])CC(=O)N1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000378210670 527240076 /nfs/dbraw/zinc/24/00/76/527240076.db2.gz NKOMCWFWEGSWLM-LBPRGKRZSA-N 2 2 296.415 -0.073 20 0 CBADLP CC(C)([NH3+])CNC(=O)c1cnn(CC[NH+]2CCOCC2)c1 ZINC000377119071 527254597 /nfs/dbraw/zinc/25/45/97/527254597.db2.gz GLZYCOYSFGIBBO-UHFFFAOYSA-N 2 2 295.387 -0.318 20 0 CBADLP CC(C)OCC[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000173646804 527961184 /nfs/dbraw/zinc/96/11/84/527961184.db2.gz CCUKAZLHNUUKQB-AWEZNQCLSA-N 2 2 299.415 -0.114 20 0 CBADLP CC(C)OCC[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000173646804 527961199 /nfs/dbraw/zinc/96/11/99/527961199.db2.gz CCUKAZLHNUUKQB-AWEZNQCLSA-N 2 2 299.415 -0.114 20 0 CBADLP CCC[C@H]([NH3+])C(=O)N1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000378208168 528163495 /nfs/dbraw/zinc/16/34/95/528163495.db2.gz GHMQGKWBTMKUHC-STQMWFEESA-N 2 2 296.415 -0.073 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H](CO)C2)CC1 ZINC000305234117 529132791 /nfs/dbraw/zinc/13/27/91/529132791.db2.gz ZWQPOUFWZUGPCZ-QWHCGFSZSA-N 2 2 269.389 -0.147 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H](CO)C2)CC1 ZINC000305234117 529132792 /nfs/dbraw/zinc/13/27/92/529132792.db2.gz ZWQPOUFWZUGPCZ-QWHCGFSZSA-N 2 2 269.389 -0.147 20 0 CBADLP CC[NH+]1CCN(CCNC(=O)[C@H]2COCC[N@@H+]2CC)CC1 ZINC000377259441 529145879 /nfs/dbraw/zinc/14/58/79/529145879.db2.gz LISSSOLYMVOMAE-CQSZACIVSA-N 2 2 298.431 -0.539 20 0 CBADLP CC[NH+]1CCN(CCNC(=O)[C@H]2COCC[N@H+]2CC)CC1 ZINC000377259441 529145880 /nfs/dbraw/zinc/14/58/80/529145880.db2.gz LISSSOLYMVOMAE-CQSZACIVSA-N 2 2 298.431 -0.539 20 0 CBADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](CCO)[C@H](C)C2)C1 ZINC000356530515 535217655 /nfs/dbraw/zinc/21/76/55/535217655.db2.gz PZQITRQQUMBJDU-KGLIPLIRSA-N 2 2 299.415 -0.379 20 0 CBADLP CC(C)[N@H+]1CCO[C@H](C(=O)N2CC[NH+](CCO)[C@H](C)C2)C1 ZINC000356530515 535217658 /nfs/dbraw/zinc/21/76/58/535217658.db2.gz PZQITRQQUMBJDU-KGLIPLIRSA-N 2 2 299.415 -0.379 20 0 CBADLP CC(C)[NH+]1CCO[C@H](C(=O)N2CC[N@H+](CCO)[C@H](C)C2)C1 ZINC000356530515 535217664 /nfs/dbraw/zinc/21/76/64/535217664.db2.gz PZQITRQQUMBJDU-KGLIPLIRSA-N 2 2 299.415 -0.379 20 0 CBADLP CC(C)[NH+]1CCO[C@H](C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)C1 ZINC000356530515 535217667 /nfs/dbraw/zinc/21/76/67/535217667.db2.gz PZQITRQQUMBJDU-KGLIPLIRSA-N 2 2 299.415 -0.379 20 0 CBADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC000236884307 535713747 /nfs/dbraw/zinc/71/37/47/535713747.db2.gz LOVWVHLOLLZJDK-KGLIPLIRSA-N 2 2 298.431 -0.635 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)CC[NH2+]C1CC1 ZINC000037612670 582112559 /nfs/dbraw/zinc/11/25/59/582112559.db2.gz MWMOGIMKDMUKRK-NSHDSACASA-N 2 2 255.362 -0.035 20 0 CBADLP C[N@@H+]1CCN(Cc2ccc(OCC(N)=O)cc2)[C@H](C[NH3+])C1 ZINC000124251917 582119771 /nfs/dbraw/zinc/11/97/71/582119771.db2.gz RMPMPMNDONBVSF-CYBMUJFWSA-N 2 2 292.383 -0.375 20 0 CBADLP C[N@H+]1CCN(Cc2ccc(OCC(N)=O)cc2)[C@H](C[NH3+])C1 ZINC000124251917 582119772 /nfs/dbraw/zinc/11/97/72/582119772.db2.gz RMPMPMNDONBVSF-CYBMUJFWSA-N 2 2 292.383 -0.375 20 0 CBADLP COCCN(C)CC[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000133978885 582124777 /nfs/dbraw/zinc/12/47/77/582124777.db2.gz AFOPPXHYTYGDGC-OLZOCXBDSA-N 2 2 259.394 -0.079 20 0 CBADLP COCC[N@H+](C)CCN[C@H](C)C[C@H]1COCC[NH2+]1 ZINC000133978885 582124779 /nfs/dbraw/zinc/12/47/79/582124779.db2.gz AFOPPXHYTYGDGC-OLZOCXBDSA-N 2 2 259.394 -0.079 20 0 CBADLP COCC[N@@H+](C)CCN[C@H](C)C[C@H]1COCC[NH2+]1 ZINC000133978885 582124781 /nfs/dbraw/zinc/12/47/81/582124781.db2.gz AFOPPXHYTYGDGC-OLZOCXBDSA-N 2 2 259.394 -0.079 20 0 CBADLP CCCS(=O)(=O)CC[N@H+](C)CCOCC[NH3+] ZINC000301052986 582130646 /nfs/dbraw/zinc/13/06/46/582130646.db2.gz XGPQEMWASIQBRN-UHFFFAOYSA-N 2 2 252.380 -0.282 20 0 CBADLP CCCS(=O)(=O)CC[N@@H+](C)CCOCC[NH3+] ZINC000301052986 582130647 /nfs/dbraw/zinc/13/06/47/582130647.db2.gz XGPQEMWASIQBRN-UHFFFAOYSA-N 2 2 252.380 -0.282 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)CC[NH+]2CCOCC2)CCO1 ZINC000725718334 582135299 /nfs/dbraw/zinc/13/52/99/582135299.db2.gz WRVGORVLYJQZPN-ZDUSSCGKSA-N 2 2 285.388 -0.454 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)CC[NH+]2CCOCC2)CCO1 ZINC000725718334 582135300 /nfs/dbraw/zinc/13/53/00/582135300.db2.gz WRVGORVLYJQZPN-ZDUSSCGKSA-N 2 2 285.388 -0.454 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)NCCn2cc[nH+]c2)CCO1 ZINC000726259083 582137186 /nfs/dbraw/zinc/13/71/86/582137186.db2.gz ZOELZMYTAKOOQT-LBPRGKRZSA-N 2 2 281.360 -0.097 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)NCCn2cc[nH+]c2)CCO1 ZINC000726259083 582137187 /nfs/dbraw/zinc/13/71/87/582137187.db2.gz ZOELZMYTAKOOQT-LBPRGKRZSA-N 2 2 281.360 -0.097 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCCNC(=O)C2)CC1 ZINC000726791700 582138176 /nfs/dbraw/zinc/13/81/76/582138176.db2.gz GWMUIJZBAJMDDM-GFCCVEGCSA-N 2 2 282.388 -0.639 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCCNC(=O)C2)CC1 ZINC000726791700 582138178 /nfs/dbraw/zinc/13/81/78/582138178.db2.gz GWMUIJZBAJMDDM-GFCCVEGCSA-N 2 2 282.388 -0.639 20 0 CBADLP C[N@H+](CN1C(=O)NC2(CC[NH+](C)CC2)C1=O)[C@H]1CCOC1 ZINC000730260288 582149674 /nfs/dbraw/zinc/14/96/74/582149674.db2.gz NVULNRNPDQMTFF-NSHDSACASA-N 2 2 296.371 -0.319 20 0 CBADLP C[N@@H+](CN1C(=O)NC2(CC[NH+](C)CC2)C1=O)[C@H]1CCOC1 ZINC000730260288 582149676 /nfs/dbraw/zinc/14/96/76/582149676.db2.gz NVULNRNPDQMTFF-NSHDSACASA-N 2 2 296.371 -0.319 20 0 CBADLP CC(C)[C@H](C(=O)N1CCC[N@H+](CC(N)=O)CC1)[NH+](C)C ZINC000730278000 582149876 /nfs/dbraw/zinc/14/98/76/582149876.db2.gz IMKOPVGJTOMZRL-CYBMUJFWSA-N 2 2 284.404 -0.408 20 0 CBADLP CC(C)[C@H](C(=O)N1CCC[N@@H+](CC(N)=O)CC1)[NH+](C)C ZINC000730278000 582149878 /nfs/dbraw/zinc/14/98/78/582149878.db2.gz IMKOPVGJTOMZRL-CYBMUJFWSA-N 2 2 284.404 -0.408 20 0 CBADLP C[N@@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC000732264755 582157459 /nfs/dbraw/zinc/15/74/59/582157459.db2.gz WNGKOKLAHIVDGF-GFCCVEGCSA-N 2 2 282.388 -0.463 20 0 CBADLP C[N@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC000732264755 582157460 /nfs/dbraw/zinc/15/74/60/582157460.db2.gz WNGKOKLAHIVDGF-GFCCVEGCSA-N 2 2 282.388 -0.463 20 0 CBADLP O=C(CC[NH+]1CCOCC1)N1CC(n2cc[nH+]c2)C1 ZINC000733985921 582167198 /nfs/dbraw/zinc/16/71/98/582167198.db2.gz QJBGQSVTXMMXMS-UHFFFAOYSA-N 2 2 264.329 -0.011 20 0 CBADLP OCCO[C@H]1CCC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000734640154 582172052 /nfs/dbraw/zinc/17/20/52/582172052.db2.gz PVZPRQSJTFJSOI-KGLIPLIRSA-N 2 2 272.389 -0.084 20 0 CBADLP OCCO[C@H]1CCC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000734640154 582172053 /nfs/dbraw/zinc/17/20/53/582172053.db2.gz PVZPRQSJTFJSOI-KGLIPLIRSA-N 2 2 272.389 -0.084 20 0 CBADLP OCCO[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000734640155 582172078 /nfs/dbraw/zinc/17/20/78/582172078.db2.gz PVZPRQSJTFJSOI-UONOGXRCSA-N 2 2 272.389 -0.084 20 0 CBADLP OCCO[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000734640155 582172079 /nfs/dbraw/zinc/17/20/79/582172079.db2.gz PVZPRQSJTFJSOI-UONOGXRCSA-N 2 2 272.389 -0.084 20 0 CBADLP C[C@@H](CNC(=O)CC[NH+]1CCOCC1)C[NH+]1CCOCC1 ZINC000737981110 582255660 /nfs/dbraw/zinc/25/56/60/582255660.db2.gz RRNBMNVTBRMEPZ-AWEZNQCLSA-N 2 2 299.415 -0.207 20 0 CBADLP C[NH+](C)CCNC(=S)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000741871544 582271120 /nfs/dbraw/zinc/27/11/20/582271120.db2.gz DOPZTRSDIFHPNZ-GFCCVEGCSA-N 2 2 286.445 -0.171 20 0 CBADLP CNS(=O)(=O)[C@@H]1CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000750215538 582290962 /nfs/dbraw/zinc/29/09/62/582290962.db2.gz IHNYHHHHQWIEMO-NWDGAFQWSA-N 2 2 291.417 -0.933 20 0 CBADLP CNS(=O)(=O)[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000750215538 582290963 /nfs/dbraw/zinc/29/09/63/582290963.db2.gz IHNYHHHHQWIEMO-NWDGAFQWSA-N 2 2 291.417 -0.933 20 0 CBADLP O=C(CC[NH+]1CCOCC1)NCCC[NH+]1CCOCC1 ZINC000750864722 582292168 /nfs/dbraw/zinc/29/21/68/582292168.db2.gz CGTLNPVRSIUKHV-UHFFFAOYSA-N 2 2 285.388 -0.453 20 0 CBADLP CO[C@@H]1CC[N@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C1 ZINC000751939699 582294117 /nfs/dbraw/zinc/29/41/17/582294117.db2.gz JTGHHZXISUAETR-LLVKDONJSA-N 2 2 296.371 -0.319 20 0 CBADLP CO[C@@H]1CC[N@@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C1 ZINC000751939699 582294118 /nfs/dbraw/zinc/29/41/18/582294118.db2.gz JTGHHZXISUAETR-LLVKDONJSA-N 2 2 296.371 -0.319 20 0 CBADLP NS(=O)(=O)CC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000760882104 582313678 /nfs/dbraw/zinc/31/36/78/582313678.db2.gz PSHAHHHLEWDKTM-UHFFFAOYSA-N 2 2 270.358 -0.508 20 0 CBADLP C[N@H+](C[C@@H](O)C[NH+]1CCCC1)[C@@]1(CO)CCOC1 ZINC000763892695 582321547 /nfs/dbraw/zinc/32/15/47/582321547.db2.gz HSKKNXCIMBMJQS-CHWSQXEVSA-N 2 2 258.362 -0.474 20 0 CBADLP C[N@@H+](C[C@@H](O)C[NH+]1CCCC1)[C@@]1(CO)CCOC1 ZINC000763892695 582321548 /nfs/dbraw/zinc/32/15/48/582321548.db2.gz HSKKNXCIMBMJQS-CHWSQXEVSA-N 2 2 258.362 -0.474 20 0 CBADLP O=C1CC[C@@H]([N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)C(=O)N1 ZINC000765961732 582329083 /nfs/dbraw/zinc/32/90/83/582329083.db2.gz FGORUXJKAVZJFZ-NWDGAFQWSA-N 2 2 281.356 -0.554 20 0 CBADLP O=C1CC[C@@H]([N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)C(=O)N1 ZINC000765961732 582329084 /nfs/dbraw/zinc/32/90/84/582329084.db2.gz FGORUXJKAVZJFZ-NWDGAFQWSA-N 2 2 281.356 -0.554 20 0 CBADLP COC(=O)C[C@@]1([NH2+]C[C@@H](O)C[NH+]2CCCC2)CCOC1 ZINC000767034308 582331601 /nfs/dbraw/zinc/33/16/01/582331601.db2.gz XCQSLORJUKFZAK-OCCSQVGLSA-N 2 2 286.372 -0.245 20 0 CBADLP CON(C)C(=O)C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000774681628 582350942 /nfs/dbraw/zinc/35/09/42/582350942.db2.gz OPYLNMXRPVBYOA-ZDUSSCGKSA-N 2 2 284.404 -0.282 20 0 CBADLP CON(C)C(=O)C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000774681628 582350943 /nfs/dbraw/zinc/35/09/43/582350943.db2.gz OPYLNMXRPVBYOA-ZDUSSCGKSA-N 2 2 284.404 -0.282 20 0 CBADLP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000776875851 582355910 /nfs/dbraw/zinc/35/59/10/582355910.db2.gz AURWCGJRELNXFR-STQMWFEESA-N 2 2 265.361 -0.018 20 0 CBADLP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CC[C@H](n2cncn2)C1 ZINC000776875851 582355911 /nfs/dbraw/zinc/35/59/11/582355911.db2.gz AURWCGJRELNXFR-STQMWFEESA-N 2 2 265.361 -0.018 20 0 CBADLP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000776875850 582355977 /nfs/dbraw/zinc/35/59/77/582355977.db2.gz AURWCGJRELNXFR-QWHCGFSZSA-N 2 2 265.361 -0.018 20 0 CBADLP O[C@H](C[NH+]1CCCC1)C[N@H+]1CC[C@H](n2cncn2)C1 ZINC000776875850 582355978 /nfs/dbraw/zinc/35/59/78/582355978.db2.gz AURWCGJRELNXFR-QWHCGFSZSA-N 2 2 265.361 -0.018 20 0 CBADLP C[C@H](CCO)[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000779411740 582361101 /nfs/dbraw/zinc/36/11/01/582361101.db2.gz HKXRLEBGHLVXAA-OLZOCXBDSA-N 2 2 285.388 -0.720 20 0 CBADLP C[C@H](O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000786959888 582380163 /nfs/dbraw/zinc/38/01/63/582380163.db2.gz SBXDBWCFMIRMSU-QWRGUYRKSA-N 2 2 255.362 -0.348 20 0 CBADLP C[C@H](O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000786959888 582380164 /nfs/dbraw/zinc/38/01/64/582380164.db2.gz SBXDBWCFMIRMSU-QWRGUYRKSA-N 2 2 255.362 -0.348 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)CC[NH+]1CCOCC1 ZINC000790127920 582390318 /nfs/dbraw/zinc/39/03/18/582390318.db2.gz OMPNJVWPICCZGR-AWEZNQCLSA-N 2 2 299.415 -0.112 20 0 CBADLP C[C@H](O)C[N@@H+]1CCN(C(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC000793873567 582398885 /nfs/dbraw/zinc/39/88/85/582398885.db2.gz HKCFVDDKNXPYJD-KGLIPLIRSA-N 2 2 299.415 -0.378 20 0 CBADLP C[C@H](O)C[N@H+]1CCN(C(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC000793873567 582398886 /nfs/dbraw/zinc/39/88/86/582398886.db2.gz HKCFVDDKNXPYJD-KGLIPLIRSA-N 2 2 299.415 -0.378 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCOC[C@H]2CCO)CC1 ZINC000801525827 582424585 /nfs/dbraw/zinc/42/45/85/582424585.db2.gz ORNAAJBPCAVVEL-CYBMUJFWSA-N 2 2 285.388 -0.766 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCOC[C@H]2CCO)CC1 ZINC000801525827 582424586 /nfs/dbraw/zinc/42/45/86/582424586.db2.gz ORNAAJBPCAVVEL-CYBMUJFWSA-N 2 2 285.388 -0.766 20 0 CBADLP CCC[N@H+](C[C@H](O)C[NH+]1CCCC1)[C@@H]1CC(=O)N(C)C1=O ZINC000801585916 582424791 /nfs/dbraw/zinc/42/47/91/582424791.db2.gz JTXYIAQPLGKKBR-CHWSQXEVSA-N 2 2 297.399 -0.088 20 0 CBADLP CCC[N@@H+](C[C@H](O)C[NH+]1CCCC1)[C@@H]1CC(=O)N(C)C1=O ZINC000801585916 582424792 /nfs/dbraw/zinc/42/47/92/582424792.db2.gz JTXYIAQPLGKKBR-CHWSQXEVSA-N 2 2 297.399 -0.088 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)OCC[NH+]2CCO[C@H](C)C2)C1 ZINC000805468190 582433290 /nfs/dbraw/zinc/43/32/90/582433290.db2.gz CTPJKMBDRALCEN-CHWSQXEVSA-N 2 2 286.372 -0.029 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)OCC[NH+]2CCO[C@H](C)C2)C1 ZINC000805468190 582433291 /nfs/dbraw/zinc/43/32/91/582433291.db2.gz CTPJKMBDRALCEN-CHWSQXEVSA-N 2 2 286.372 -0.029 20 0 CBADLP CC[NH+]1CCO[C@@H](C(=O)OCC[N@@H+]2CCO[C@H](C)C2)C1 ZINC000805468190 582433292 /nfs/dbraw/zinc/43/32/92/582433292.db2.gz CTPJKMBDRALCEN-CHWSQXEVSA-N 2 2 286.372 -0.029 20 0 CBADLP CC[NH+]1CCO[C@@H](C(=O)OCC[N@H+]2CCO[C@H](C)C2)C1 ZINC000805468190 582433293 /nfs/dbraw/zinc/43/32/93/582433293.db2.gz CTPJKMBDRALCEN-CHWSQXEVSA-N 2 2 286.372 -0.029 20 0 CBADLP Cn1cnc(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)c1 ZINC000808389882 582443146 /nfs/dbraw/zinc/44/31/46/582443146.db2.gz XKXCQUVZFBZJJM-CQSZACIVSA-N 2 2 293.415 -0.084 20 0 CBADLP Cn1ncc(C[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)n1 ZINC000815123337 582461075 /nfs/dbraw/zinc/46/10/75/582461075.db2.gz CHQCZIIQHKZRIA-NSHDSACASA-N 2 2 280.376 -0.508 20 0 CBADLP Cn1ncc(C[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)n1 ZINC000815123337 582461076 /nfs/dbraw/zinc/46/10/76/582461076.db2.gz CHQCZIIQHKZRIA-NSHDSACASA-N 2 2 280.376 -0.508 20 0 CBADLP C[N@@H+]1CCC[C@]2(CC[NH+](CCS(N)(=O)=O)C2)C1 ZINC000815145193 582461597 /nfs/dbraw/zinc/46/15/97/582461597.db2.gz PCTRPDRXGJTPTG-NSHDSACASA-N 2 2 261.391 -0.307 20 0 CBADLP C[N@H+]1CCC[C@]2(CC[NH+](CCS(N)(=O)=O)C2)C1 ZINC000815145193 582461599 /nfs/dbraw/zinc/46/15/99/582461599.db2.gz PCTRPDRXGJTPTG-NSHDSACASA-N 2 2 261.391 -0.307 20 0 CBADLP C[NH+]1CCC[C@]2(CC[N@H+](CCS(N)(=O)=O)C2)C1 ZINC000815145193 582461601 /nfs/dbraw/zinc/46/16/01/582461601.db2.gz PCTRPDRXGJTPTG-NSHDSACASA-N 2 2 261.391 -0.307 20 0 CBADLP C[NH+]1CCC[C@]2(CC[N@@H+](CCS(N)(=O)=O)C2)C1 ZINC000815145193 582461602 /nfs/dbraw/zinc/46/16/02/582461602.db2.gz PCTRPDRXGJTPTG-NSHDSACASA-N 2 2 261.391 -0.307 20 0 CBADLP C[NH+]1CCN(C(=O)C(=O)N2CC[C@]3(CCC[NH2+]3)C2)CC1 ZINC000817993329 582497643 /nfs/dbraw/zinc/49/76/43/582497643.db2.gz GAOWKVSKQNWXJZ-CQSZACIVSA-N 2 2 280.372 -0.885 20 0 CBADLP CCn1nc(C)c(CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])n1 ZINC000818657666 582514005 /nfs/dbraw/zinc/51/40/05/582514005.db2.gz IUWBXDDXUVXWAY-LLVKDONJSA-N 2 2 295.391 -0.609 20 0 CBADLP CCn1nc(C)c(CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])n1 ZINC000818657666 582514006 /nfs/dbraw/zinc/51/40/06/582514006.db2.gz IUWBXDDXUVXWAY-LLVKDONJSA-N 2 2 295.391 -0.609 20 0 CBADLP CCS(=O)(=O)CC[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000819033240 582525132 /nfs/dbraw/zinc/52/51/32/582525132.db2.gz NFHMVTFGEIDZRQ-LBPRGKRZSA-N 2 2 277.434 -0.353 20 0 CBADLP C[C@H](NC(=O)C[NH+]1CCCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000821091838 582592730 /nfs/dbraw/zinc/59/27/30/582592730.db2.gz JBYDFHRAGAKQOS-RYUDHWBXSA-N 2 2 255.362 -0.083 20 0 CBADLP C[C@H](NC(=O)C[NH+]1CCCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000821091838 582592733 /nfs/dbraw/zinc/59/27/33/582592733.db2.gz JBYDFHRAGAKQOS-RYUDHWBXSA-N 2 2 255.362 -0.083 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000824740913 582708132 /nfs/dbraw/zinc/70/81/32/582708132.db2.gz LZSHKJKAENIFLA-WDEREUQCSA-N 2 2 264.329 -0.068 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000824740913 582708134 /nfs/dbraw/zinc/70/81/34/582708134.db2.gz LZSHKJKAENIFLA-WDEREUQCSA-N 2 2 264.329 -0.068 20 0 CBADLP Cc1cc[nH+]c(N2CCC([NH3+])(CO)CC2)c1-c1nn[nH]n1 ZINC000826310362 582765903 /nfs/dbraw/zinc/76/59/03/582765903.db2.gz SXBLLWVWKUXNPA-UHFFFAOYSA-N 2 2 289.343 -0.140 20 0 CBADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C)C[C@@H]1CO ZINC000826707788 582786579 /nfs/dbraw/zinc/78/65/79/582786579.db2.gz NARAXHUOWJXYOR-OLZOCXBDSA-N 2 2 269.389 -0.006 20 0 CBADLP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C)C[C@@H]1CO ZINC000826707788 582786580 /nfs/dbraw/zinc/78/65/80/582786580.db2.gz NARAXHUOWJXYOR-OLZOCXBDSA-N 2 2 269.389 -0.006 20 0 CBADLP CC(C)[NH+]1CCC[C@H]1C(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000826707788 582786582 /nfs/dbraw/zinc/78/65/82/582786582.db2.gz NARAXHUOWJXYOR-OLZOCXBDSA-N 2 2 269.389 -0.006 20 0 CBADLP CC(C)[NH+]1CCC[C@H]1C(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000826707788 582786584 /nfs/dbraw/zinc/78/65/84/582786584.db2.gz NARAXHUOWJXYOR-OLZOCXBDSA-N 2 2 269.389 -0.006 20 0 CBADLP COCC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000826796235 582789220 /nfs/dbraw/zinc/78/92/20/582789220.db2.gz GUTPWJOQDYCRHS-JTQLQIEISA-N 2 2 252.318 -0.211 20 0 CBADLP COCC[N@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000826796235 582789221 /nfs/dbraw/zinc/78/92/21/582789221.db2.gz GUTPWJOQDYCRHS-JTQLQIEISA-N 2 2 252.318 -0.211 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@]3(F)CC[NH2+]C3)C2)CC1 ZINC000829484710 582888098 /nfs/dbraw/zinc/88/80/98/582888098.db2.gz WLBLZKKAZCCXTA-IUODEOHRSA-N 3 2 298.406 -0.027 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@@]3(F)CC[NH2+]C3)C2)CC1 ZINC000829484710 582888099 /nfs/dbraw/zinc/88/80/99/582888099.db2.gz WLBLZKKAZCCXTA-IUODEOHRSA-N 3 2 298.406 -0.027 20 0 CBADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@H]2CCCN2C=O)CC1 ZINC000829672263 582894017 /nfs/dbraw/zinc/89/40/17/582894017.db2.gz CPLJJGMNRYVQCC-CQSZACIVSA-N 2 2 296.415 -0.251 20 0 CBADLP C[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000830141293 582922267 /nfs/dbraw/zinc/92/22/67/582922267.db2.gz LBUXQPCYMMOFEC-MCIONIFRSA-N 2 2 297.399 -0.314 20 0 CBADLP C[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000830141293 582922270 /nfs/dbraw/zinc/92/22/70/582922270.db2.gz LBUXQPCYMMOFEC-MCIONIFRSA-N 2 2 297.399 -0.314 20 0 CBADLP C[C@H](NC(=O)Cc1[nH]cc[nH+]1)[C@@H]1C[N@H+](C)CCO1 ZINC000830628501 582936210 /nfs/dbraw/zinc/93/62/10/582936210.db2.gz SAJOPQCGSVIZTM-UWVGGRQHSA-N 2 2 252.318 -0.213 20 0 CBADLP C[C@H](NC(=O)Cc1[nH]cc[nH+]1)[C@@H]1C[N@@H+](C)CCO1 ZINC000830628501 582936213 /nfs/dbraw/zinc/93/62/13/582936213.db2.gz SAJOPQCGSVIZTM-UWVGGRQHSA-N 2 2 252.318 -0.213 20 0 CBADLP CCO[C@@H](CNC(=O)Cn1cc[nH+]c1)C[NH+](C)C ZINC000831719168 582998287 /nfs/dbraw/zinc/99/82/87/582998287.db2.gz QQZWKPQABKDGHQ-NSHDSACASA-N 2 2 254.334 -0.034 20 0 CBADLP C[C@@H]1CCC[N@@H+]1CCNC(=O)CN1CC[NH2+]CC1=O ZINC000831971131 583009303 /nfs/dbraw/zinc/00/93/03/583009303.db2.gz SQKUDBMFVPSDNF-LLVKDONJSA-N 2 2 268.361 -0.981 20 0 CBADLP C[C@@H]1CCC[N@H+]1CCNC(=O)CN1CC[NH2+]CC1=O ZINC000831971131 583009305 /nfs/dbraw/zinc/00/93/05/583009305.db2.gz SQKUDBMFVPSDNF-LLVKDONJSA-N 2 2 268.361 -0.981 20 0 CBADLP C[N@H+](CCCn1cc[nH+]c1)[C@H]1CC(=O)N(CCCO)C1=O ZINC000840737314 583167198 /nfs/dbraw/zinc/16/71/98/583167198.db2.gz AQJOBGXPJFVTGB-LBPRGKRZSA-N 2 2 294.355 -0.285 20 0 CBADLP C[N@@H+](CCCn1cc[nH+]c1)[C@H]1CC(=O)N(CCCO)C1=O ZINC000840737314 583167199 /nfs/dbraw/zinc/16/71/99/583167199.db2.gz AQJOBGXPJFVTGB-LBPRGKRZSA-N 2 2 294.355 -0.285 20 0 CBADLP C[N@H+](CCCn1cc[nH+]c1)[C@@H]1CC(=O)N(CCCO)C1=O ZINC000840737313 583167335 /nfs/dbraw/zinc/16/73/35/583167335.db2.gz AQJOBGXPJFVTGB-GFCCVEGCSA-N 2 2 294.355 -0.285 20 0 CBADLP C[N@@H+](CCCn1cc[nH+]c1)[C@@H]1CC(=O)N(CCCO)C1=O ZINC000840737313 583167336 /nfs/dbraw/zinc/16/73/36/583167336.db2.gz AQJOBGXPJFVTGB-GFCCVEGCSA-N 2 2 294.355 -0.285 20 0 CBADLP CCN(CC)C(=O)CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000841741495 583173637 /nfs/dbraw/zinc/17/36/37/583173637.db2.gz PRCIMLDEPZYNNA-NSHDSACASA-N 2 2 285.392 -0.861 20 0 CBADLP CCN(CC)C(=O)CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000841741495 583173638 /nfs/dbraw/zinc/17/36/38/583173638.db2.gz PRCIMLDEPZYNNA-NSHDSACASA-N 2 2 285.392 -0.861 20 0 CBADLP CC[NH+](CC)CC[C@@H](CO)[NH2+]CCS(C)(=O)=O ZINC000843100653 583201546 /nfs/dbraw/zinc/20/15/46/583201546.db2.gz DWGZRIIYOIMMSY-NSHDSACASA-N 2 2 266.407 -0.287 20 0 CBADLP CCOC(=O)C1=C(C[NH2+]CC2([NH3+])CCC2)NC(=O)N[C@@H]1C ZINC000843368075 583213079 /nfs/dbraw/zinc/21/30/79/583213079.db2.gz OGQBEWFBYBNUQK-SECBINFHSA-N 2 2 296.371 -0.024 20 0 CBADLP CCOC(=O)C1=C(C[NH2+]CC2([NH3+])CCC2)NC(=O)N[C@H]1C ZINC000843368076 583213115 /nfs/dbraw/zinc/21/31/15/583213115.db2.gz OGQBEWFBYBNUQK-VIFPVBQESA-N 2 2 296.371 -0.024 20 0 CBADLP O=C(CC[N@@H+]1CC[C@]2(CCC[NH2+]2)C1)N1CC[NH2+]CC1 ZINC000843389963 583214970 /nfs/dbraw/zinc/21/49/70/583214970.db2.gz DQYBHJJSDMWMIF-CQSZACIVSA-N 3 2 266.389 -0.364 20 0 CBADLP O=C(CC[N@H+]1CC[C@]2(CCC[NH2+]2)C1)N1CC[NH2+]CC1 ZINC000843389963 583214972 /nfs/dbraw/zinc/21/49/72/583214972.db2.gz DQYBHJJSDMWMIF-CQSZACIVSA-N 3 2 266.389 -0.364 20 0 CBADLP CC[NH2+]CC(=O)N1CC[NH+](CC(=O)N(CC)CC)CC1 ZINC000844167629 583255740 /nfs/dbraw/zinc/25/57/40/583255740.db2.gz MQJVTYXOIZEULH-UHFFFAOYSA-N 2 2 284.404 -0.392 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000844170118 583256359 /nfs/dbraw/zinc/25/63/59/583256359.db2.gz FZYPXILRPITXRR-OLZOCXBDSA-N 2 2 285.388 -0.408 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCCOc1cccnc1 ZINC000846673174 583382048 /nfs/dbraw/zinc/38/20/48/583382048.db2.gz OMTPYZZAJNDVJM-GFCCVEGCSA-N 2 2 266.345 -0.144 20 0 CBADLP CCOC(=O)N1CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CC1 ZINC000846678265 583382572 /nfs/dbraw/zinc/38/25/72/583382572.db2.gz XHROQRSIIKMFOD-LLVKDONJSA-N 2 2 286.376 -0.434 20 0 CBADLP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CC(=O)N(CCCO)C2=O)C1 ZINC000846701396 583384864 /nfs/dbraw/zinc/38/48/64/583384864.db2.gz FQGXWTPZJKCWSO-NEPJUHHUSA-N 2 2 283.372 -0.572 20 0 CBADLP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CC(=O)N(CCCO)C2=O)C1 ZINC000846701396 583384867 /nfs/dbraw/zinc/38/48/67/583384867.db2.gz FQGXWTPZJKCWSO-NEPJUHHUSA-N 2 2 283.372 -0.572 20 0 CBADLP CCN1C[C@@H](C[NH+]2CCN(C(=O)C[NH+](C)C)CC2)OC1=O ZINC000846770691 583387104 /nfs/dbraw/zinc/38/71/04/583387104.db2.gz WHAPJCCXXNNDEF-GFCCVEGCSA-N 2 2 298.387 -0.467 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+](C)[C@@H]1CCCCNC1=O ZINC000846799665 583387906 /nfs/dbraw/zinc/38/79/06/583387906.db2.gz VTFVBFMXHBKSMJ-VXGBXAGGSA-N 2 2 257.378 -0.101 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@@H]1CCCCNC1=O ZINC000846799665 583387909 /nfs/dbraw/zinc/38/79/09/583387909.db2.gz VTFVBFMXHBKSMJ-VXGBXAGGSA-N 2 2 257.378 -0.101 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@H+](C)[C@@H]1CCCCNC1=O ZINC000846799665 583387911 /nfs/dbraw/zinc/38/79/11/583387911.db2.gz VTFVBFMXHBKSMJ-VXGBXAGGSA-N 2 2 257.378 -0.101 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@@H]1CCCCNC1=O ZINC000846799665 583387913 /nfs/dbraw/zinc/38/79/13/583387913.db2.gz VTFVBFMXHBKSMJ-VXGBXAGGSA-N 2 2 257.378 -0.101 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+](C)[C@H]1CCCCNC1=O ZINC000846799662 583387928 /nfs/dbraw/zinc/38/79/28/583387928.db2.gz VTFVBFMXHBKSMJ-NEPJUHHUSA-N 2 2 257.378 -0.101 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@H]1CCCCNC1=O ZINC000846799662 583387930 /nfs/dbraw/zinc/38/79/30/583387930.db2.gz VTFVBFMXHBKSMJ-NEPJUHHUSA-N 2 2 257.378 -0.101 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@H+](C)[C@H]1CCCCNC1=O ZINC000846799662 583387932 /nfs/dbraw/zinc/38/79/32/583387932.db2.gz VTFVBFMXHBKSMJ-NEPJUHHUSA-N 2 2 257.378 -0.101 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@H]1CCCCNC1=O ZINC000846799662 583387933 /nfs/dbraw/zinc/38/79/33/583387933.db2.gz VTFVBFMXHBKSMJ-NEPJUHHUSA-N 2 2 257.378 -0.101 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCCN(C=O)CC1 ZINC000846913419 583392233 /nfs/dbraw/zinc/39/22/33/583392233.db2.gz BJPLWNHLFJTGTI-CYBMUJFWSA-N 2 2 273.377 -0.910 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCCN(C=O)CC1 ZINC000846913419 583392235 /nfs/dbraw/zinc/39/22/35/583392235.db2.gz BJPLWNHLFJTGTI-CYBMUJFWSA-N 2 2 273.377 -0.910 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCCN(C=O)CC1 ZINC000846913419 583392237 /nfs/dbraw/zinc/39/22/37/583392237.db2.gz BJPLWNHLFJTGTI-CYBMUJFWSA-N 2 2 273.377 -0.910 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCCN(C=O)CC1 ZINC000846913419 583392239 /nfs/dbraw/zinc/39/22/39/583392239.db2.gz BJPLWNHLFJTGTI-CYBMUJFWSA-N 2 2 273.377 -0.910 20 0 CBADLP COC[C@@H](C)NC(=[NH2+])NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000849037339 583470668 /nfs/dbraw/zinc/47/06/68/583470668.db2.gz AXHHCRUOWJZMNM-UTUOFQBUSA-N 2 2 270.377 -0.002 20 0 CBADLP COC[C@@H](C)NC(=[NH2+])NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000849037339 583470670 /nfs/dbraw/zinc/47/06/70/583470670.db2.gz AXHHCRUOWJZMNM-UTUOFQBUSA-N 2 2 270.377 -0.002 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=S)NCC[NH+](C)C ZINC000849280008 583476142 /nfs/dbraw/zinc/47/61/42/583476142.db2.gz NWYKNKPBNMYLML-UHFFFAOYSA-N 3 2 289.493 -0.104 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=S)NCC[NH+](C)C ZINC000849280008 583476145 /nfs/dbraw/zinc/47/61/45/583476145.db2.gz NWYKNKPBNMYLML-UHFFFAOYSA-N 3 2 289.493 -0.104 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC2=C(CCC(=O)N2)C1 ZINC000852296168 583542300 /nfs/dbraw/zinc/54/23/00/583542300.db2.gz RFJJUZBBYGPMMN-CYBMUJFWSA-N 2 2 297.399 -0.205 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC2=C(CCC(=O)N2)C1 ZINC000852296168 583542302 /nfs/dbraw/zinc/54/23/02/583542302.db2.gz RFJJUZBBYGPMMN-CYBMUJFWSA-N 2 2 297.399 -0.205 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC2=C(CCC(=O)N2)C1 ZINC000852296168 583542305 /nfs/dbraw/zinc/54/23/05/583542305.db2.gz RFJJUZBBYGPMMN-CYBMUJFWSA-N 2 2 297.399 -0.205 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC2=C(CCC(=O)N2)C1 ZINC000852296168 583542307 /nfs/dbraw/zinc/54/23/07/583542307.db2.gz RFJJUZBBYGPMMN-CYBMUJFWSA-N 2 2 297.399 -0.205 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](N3CCOC3=O)C2)CC1 ZINC000852432743 583545779 /nfs/dbraw/zinc/54/57/79/583545779.db2.gz OVUFUGSVJKSSJW-GFCCVEGCSA-N 2 2 296.371 -0.713 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](N3CCOC3=O)C2)CC1 ZINC000852432743 583545781 /nfs/dbraw/zinc/54/57/81/583545781.db2.gz OVUFUGSVJKSSJW-GFCCVEGCSA-N 2 2 296.371 -0.713 20 0 CBADLP C[N@H+](C[C@H](O)C[NH+]1CC[C@@H](N2CCOC2=O)C1)C1CC1 ZINC000852439125 583546436 /nfs/dbraw/zinc/54/64/36/583546436.db2.gz BMJAQTXBHGDLJS-OLZOCXBDSA-N 2 2 283.372 -0.032 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH+]1CC[C@@H](N2CCOC2=O)C1)C1CC1 ZINC000852439125 583546437 /nfs/dbraw/zinc/54/64/37/583546437.db2.gz BMJAQTXBHGDLJS-OLZOCXBDSA-N 2 2 283.372 -0.032 20 0 CBADLP C[NH+](C[C@H](O)C[N@@H+]1CC[C@@H](N2CCOC2=O)C1)C1CC1 ZINC000852439125 583546438 /nfs/dbraw/zinc/54/64/38/583546438.db2.gz BMJAQTXBHGDLJS-OLZOCXBDSA-N 2 2 283.372 -0.032 20 0 CBADLP C[NH+](C[C@H](O)C[N@H+]1CC[C@@H](N2CCOC2=O)C1)C1CC1 ZINC000852439125 583546440 /nfs/dbraw/zinc/54/64/40/583546440.db2.gz BMJAQTXBHGDLJS-OLZOCXBDSA-N 2 2 283.372 -0.032 20 0 CBADLP C[N@H+](C[C@H](O)C[NH+]1CC[C@H](N2CCOC2=O)C1)C1CC1 ZINC000852439127 583546500 /nfs/dbraw/zinc/54/65/00/583546500.db2.gz BMJAQTXBHGDLJS-STQMWFEESA-N 2 2 283.372 -0.032 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH+]1CC[C@H](N2CCOC2=O)C1)C1CC1 ZINC000852439127 583546501 /nfs/dbraw/zinc/54/65/01/583546501.db2.gz BMJAQTXBHGDLJS-STQMWFEESA-N 2 2 283.372 -0.032 20 0 CBADLP C[NH+](C[C@H](O)C[N@@H+]1CC[C@H](N2CCOC2=O)C1)C1CC1 ZINC000852439127 583546503 /nfs/dbraw/zinc/54/65/03/583546503.db2.gz BMJAQTXBHGDLJS-STQMWFEESA-N 2 2 283.372 -0.032 20 0 CBADLP C[NH+](C[C@H](O)C[N@H+]1CC[C@H](N2CCOC2=O)C1)C1CC1 ZINC000852439127 583546505 /nfs/dbraw/zinc/54/65/05/583546505.db2.gz BMJAQTXBHGDLJS-STQMWFEESA-N 2 2 283.372 -0.032 20 0 CBADLP COC(=O)NC1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000852770743 583552400 /nfs/dbraw/zinc/55/24/00/583552400.db2.gz ZVNKHKIGUHBIAE-UHFFFAOYSA-N 2 2 298.387 -0.419 20 0 CBADLP [NH3+]C[C@@H]1CC(C(=O)N2CCN(c3cccc[nH+]3)CC2)=NO1 ZINC000852854864 583561611 /nfs/dbraw/zinc/56/16/11/583561611.db2.gz RSGSWKDPGDEOEG-NSHDSACASA-N 2 2 289.339 -0.166 20 0 CBADLP O=C(NCc1cccnc1-n1cc[nH+]c1)C1(O)C[NH2+]C1 ZINC000852859289 583562171 /nfs/dbraw/zinc/56/21/71/583562171.db2.gz RMTKEQIGHCKFFN-UHFFFAOYSA-N 2 2 273.296 -0.782 20 0 CBADLP CN(C)c1ccc(CNC(=O)C2=NO[C@@H](C[NH3+])C2)c[nH+]1 ZINC000852859310 583562177 /nfs/dbraw/zinc/56/21/77/583562177.db2.gz RVMNEJXPJUTAMK-SNVBAGLBSA-N 2 2 277.328 -0.133 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852860981 583562374 /nfs/dbraw/zinc/56/23/74/583562374.db2.gz XGJAHTQNUXIBHX-IUCAKERBSA-N 2 2 251.290 -0.509 20 0 CBADLP O=C(NCc1ccc(-n2cc[nH+]c2)cc1)C1(O)C[NH2+]C1 ZINC000852862704 583562832 /nfs/dbraw/zinc/56/28/32/583562832.db2.gz JUZCKPRIPNCGPD-UHFFFAOYSA-N 2 2 272.308 -0.177 20 0 CBADLP C[C@H](NC(=O)C1=NO[C@@H](C[NH3+])C1)[C@H](C)[NH+]1CCOCC1 ZINC000852867367 583564348 /nfs/dbraw/zinc/56/43/48/583564348.db2.gz UYXQCPGZVFKAPC-GARJFASQSA-N 2 2 284.360 -0.685 20 0 CBADLP COC(=O)[C@@]1(F)CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000852897786 583571873 /nfs/dbraw/zinc/57/18/73/583571873.db2.gz MWOPYFIDARHFSC-BXKDBHETSA-N 2 2 275.324 -0.621 20 0 CBADLP C[C@@H](NC(=O)C1=NO[C@@H](C[NH3+])C1)c1[nH+]ccn1C ZINC000852916895 583574678 /nfs/dbraw/zinc/57/46/78/583574678.db2.gz CUVJORHSBBJWEV-HTQZYQBOSA-N 2 2 251.290 -0.299 20 0 CBADLP C[C@H](NC(=O)C1=NO[C@@H](C[NH3+])C1)c1[nH+]ccn1C ZINC000852916897 583574739 /nfs/dbraw/zinc/57/47/39/583574739.db2.gz CUVJORHSBBJWEV-JGVFFNPUSA-N 2 2 251.290 -0.299 20 0 CBADLP CN(Cc1c[nH+]c[nH]1)C(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000852922093 583574902 /nfs/dbraw/zinc/57/49/02/583574902.db2.gz VHSQIJZYTOSSJR-CQSZACIVSA-N 2 2 291.355 -0.277 20 0 CBADLP CN(Cc1c[nH]c[nH+]1)C(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000852922093 583574903 /nfs/dbraw/zinc/57/49/03/583574903.db2.gz VHSQIJZYTOSSJR-CQSZACIVSA-N 2 2 291.355 -0.277 20 0 CBADLP [NH3+]CC[N@H+](CCC1SCCS1)C[C@H](O)CO ZINC000853023162 583577242 /nfs/dbraw/zinc/57/72/42/583577242.db2.gz OSESGPRZDKJGDV-VIFPVBQESA-N 2 2 266.432 -0.204 20 0 CBADLP [NH3+]CC[N@@H+](CCC1SCCS1)C[C@H](O)CO ZINC000853023162 583577244 /nfs/dbraw/zinc/57/72/44/583577244.db2.gz OSESGPRZDKJGDV-VIFPVBQESA-N 2 2 266.432 -0.204 20 0 CBADLP [NH3+]CC[N@H+](CCC1SCCS1)C[C@@H](O)CO ZINC000853023161 583577265 /nfs/dbraw/zinc/57/72/65/583577265.db2.gz OSESGPRZDKJGDV-SECBINFHSA-N 2 2 266.432 -0.204 20 0 CBADLP [NH3+]CC[N@@H+](CCC1SCCS1)C[C@@H](O)CO ZINC000853023161 583577266 /nfs/dbraw/zinc/57/72/66/583577266.db2.gz OSESGPRZDKJGDV-SECBINFHSA-N 2 2 266.432 -0.204 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)N(C)CC2C[NH+](C)C2)CCO1 ZINC000853605572 583586683 /nfs/dbraw/zinc/58/66/83/583586683.db2.gz MRYFEICTDBBPRP-GFCCVEGCSA-N 2 2 284.404 -0.090 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)N(C)CC2C[NH+](C)C2)CCO1 ZINC000853605572 583586686 /nfs/dbraw/zinc/58/66/86/583586686.db2.gz MRYFEICTDBBPRP-GFCCVEGCSA-N 2 2 284.404 -0.090 20 0 CBADLP CCOC(=O)[C@H]1[NH2+]CC[C@@H]1NCC12CC(C1)C[NH2+]2 ZINC000854229924 583597622 /nfs/dbraw/zinc/59/76/22/583597622.db2.gz AMYDQKIAEMBWKC-ZRZGDYATSA-N 2 2 253.346 -0.378 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H]1CCCC[N@H+]1CCO ZINC000854742228 583617596 /nfs/dbraw/zinc/61/75/96/583617596.db2.gz BJTLHLSETFXCHI-LLVKDONJSA-N 2 2 266.345 -0.085 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H]1CCCC[N@@H+]1CCO ZINC000854742228 583617597 /nfs/dbraw/zinc/61/75/97/583617597.db2.gz BJTLHLSETFXCHI-LLVKDONJSA-N 2 2 266.345 -0.085 20 0 CBADLP COC(=O)[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[N@H+](C)C1 ZINC000854932693 583628573 /nfs/dbraw/zinc/62/85/73/583628573.db2.gz PSOSBQYVQHDEPL-SNVBAGLBSA-N 2 2 280.328 -0.485 20 0 CBADLP COC(=O)[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[N@@H+](C)C1 ZINC000854932693 583628574 /nfs/dbraw/zinc/62/85/74/583628574.db2.gz PSOSBQYVQHDEPL-SNVBAGLBSA-N 2 2 280.328 -0.485 20 0 CBADLP COC(=O)NCC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000855416154 583638946 /nfs/dbraw/zinc/63/89/46/583638946.db2.gz HURBUQNCNNNSPC-UHFFFAOYSA-N 2 2 274.365 -0.658 20 0 CBADLP COC(=O)NCC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000855416154 583638948 /nfs/dbraw/zinc/63/89/48/583638948.db2.gz HURBUQNCNNNSPC-UHFFFAOYSA-N 2 2 274.365 -0.658 20 0 CBADLP COC(=O)N[C@@H](C)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000855415402 583639019 /nfs/dbraw/zinc/63/90/19/583639019.db2.gz XMGSKQLNBSQYDZ-NSHDSACASA-N 2 2 288.392 -0.269 20 0 CBADLP COC(=O)N[C@@H](C)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000855415402 583639022 /nfs/dbraw/zinc/63/90/22/583639022.db2.gz XMGSKQLNBSQYDZ-NSHDSACASA-N 2 2 288.392 -0.269 20 0 CBADLP CON(CCCNC(=O)C[NH+](C)C)C(=O)C[NH+](C)C ZINC000856015180 583653236 /nfs/dbraw/zinc/65/32/36/583653236.db2.gz RLJBOIKMXPDHAO-UHFFFAOYSA-N 2 2 274.365 -0.994 20 0 CBADLP CCn1ncc(C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)n1 ZINC000857084456 583663713 /nfs/dbraw/zinc/66/37/13/583663713.db2.gz SXLCTVIMILXKFQ-LLVKDONJSA-N 2 2 280.376 -0.415 20 0 CBADLP CCn1ncc(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)n1 ZINC000857084456 583663716 /nfs/dbraw/zinc/66/37/16/583663716.db2.gz SXLCTVIMILXKFQ-LLVKDONJSA-N 2 2 280.376 -0.415 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCn3c[nH+]cc32)C1 ZINC000857982448 583686008 /nfs/dbraw/zinc/68/60/08/583686008.db2.gz IRLWOIYBDOZZQZ-ONGXEEELSA-N 2 2 250.302 -0.225 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N[C@H]2CCn3c[nH+]cc32)C1 ZINC000857982448 583686009 /nfs/dbraw/zinc/68/60/09/583686009.db2.gz IRLWOIYBDOZZQZ-ONGXEEELSA-N 2 2 250.302 -0.225 20 0 CBADLP CN(C)C(=O)C[NH+]1CCN(c2cc[nH+]c(CO)c2)CC1 ZINC000858321889 583691306 /nfs/dbraw/zinc/69/13/06/583691306.db2.gz IHBKVAYZFQTRKM-UHFFFAOYSA-N 2 2 278.356 -0.216 20 0 CBADLP OCc1cc(NC[C@H](O)C[NH+]2CCOCC2)cc[nH+]1 ZINC000858321998 583691417 /nfs/dbraw/zinc/69/14/17/583691417.db2.gz JYLUOIUIKXBTNY-ZDUSSCGKSA-N 2 2 267.329 -0.321 20 0 CBADLP O=C1C[C@@H](C[NH+]2CCC([NH+]3CCOCC3)CC2)CN1 ZINC000859356601 583715880 /nfs/dbraw/zinc/71/58/80/583715880.db2.gz UIHGDLQELIYRLR-GFCCVEGCSA-N 2 2 267.373 -0.081 20 0 CBADLP CC(C)[C@H](NC=O)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000859884418 583731886 /nfs/dbraw/zinc/73/18/86/583731886.db2.gz XMTVMDSSYYIYGD-AWEZNQCLSA-N 2 2 298.431 -0.101 20 0 CBADLP COc1cc[nH+]cc1NC(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000861540122 583769858 /nfs/dbraw/zinc/76/98/58/583769858.db2.gz LGQIRHWTTXRERP-MRVPVSSYSA-N 2 2 266.301 -0.166 20 0 CBADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N(C)C[C@H](C)[NH3+] ZINC000861573346 583771344 /nfs/dbraw/zinc/77/13/44/583771344.db2.gz GCBZTTDSRKBTEE-NWDGAFQWSA-N 2 2 271.409 -0.389 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000861646517 583775293 /nfs/dbraw/zinc/77/52/93/583775293.db2.gz RNRQWQQUSNOORY-NXEZZACHSA-N 2 2 292.330 -0.387 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000861646517 583775295 /nfs/dbraw/zinc/77/52/95/583775295.db2.gz RNRQWQQUSNOORY-NXEZZACHSA-N 2 2 292.330 -0.387 20 0 CBADLP CC(C)[C@H](NC=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000862171604 583801988 /nfs/dbraw/zinc/80/19/88/583801988.db2.gz IOGOAQWVVVCUES-ZDUSSCGKSA-N 2 2 286.420 -0.243 20 0 CBADLP CC(C)[C@H](NC=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000862171604 583801990 /nfs/dbraw/zinc/80/19/90/583801990.db2.gz IOGOAQWVVVCUES-ZDUSSCGKSA-N 2 2 286.420 -0.243 20 0 CBADLP C[NH+](C)Cc1cnc(C[NH+](CCO)CCO)s1 ZINC000862429427 583805461 /nfs/dbraw/zinc/80/54/61/583805461.db2.gz GXSBGQMYTVGHBZ-UHFFFAOYSA-N 2 2 259.375 -0.009 20 0 CBADLP C[NH+]1CCC(NC(=S)NC[C@H]2COCC[N@@H+]2C)CC1 ZINC000863226550 583834821 /nfs/dbraw/zinc/83/48/21/583834821.db2.gz KAAIMRUZQUXNHH-LBPRGKRZSA-N 2 2 286.445 -0.125 20 0 CBADLP C[NH+]1CCC(NC(=S)NC[C@H]2COCC[N@H+]2C)CC1 ZINC000863226550 583834823 /nfs/dbraw/zinc/83/48/23/583834823.db2.gz KAAIMRUZQUXNHH-LBPRGKRZSA-N 2 2 286.445 -0.125 20 0 CBADLP C[NH+](C)CCCNC(=S)NC[C@@H]1COCC[N@@H+]1C ZINC000863226371 583834884 /nfs/dbraw/zinc/83/48/84/583834884.db2.gz CHZMUPVSZSHYIT-LLVKDONJSA-N 2 2 274.434 -0.267 20 0 CBADLP C[NH+](C)CCCNC(=S)NC[C@@H]1COCC[N@H+]1C ZINC000863226371 583834885 /nfs/dbraw/zinc/83/48/85/583834885.db2.gz CHZMUPVSZSHYIT-LLVKDONJSA-N 2 2 274.434 -0.267 20 0 CBADLP CS(=O)(=O)NC[C@H]1COCC[N@@H+]1CCCCCC[NH3+] ZINC000863561062 583846992 /nfs/dbraw/zinc/84/69/92/583846992.db2.gz CCWADPWIBKFHRA-LBPRGKRZSA-N 2 2 293.433 -0.245 20 0 CBADLP CS(=O)(=O)NC[C@H]1COCC[N@H+]1CCCCCC[NH3+] ZINC000863561062 583846993 /nfs/dbraw/zinc/84/69/93/583846993.db2.gz CCWADPWIBKFHRA-LBPRGKRZSA-N 2 2 293.433 -0.245 20 0 CBADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C[C@H](O)C1CC1 ZINC000863570170 583847125 /nfs/dbraw/zinc/84/71/25/583847125.db2.gz FBMYFTFIHNQJBF-RYUDHWBXSA-N 2 2 255.362 -0.313 20 0 CBADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C[C@H](O)C1CC1 ZINC000863570170 583847127 /nfs/dbraw/zinc/84/71/27/583847127.db2.gz FBMYFTFIHNQJBF-RYUDHWBXSA-N 2 2 255.362 -0.313 20 0 CBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CCCCC[NH3+] ZINC000863583175 583847607 /nfs/dbraw/zinc/84/76/07/583847607.db2.gz OZEUXNRORALCER-ZDUSSCGKSA-N 2 2 287.404 -0.343 20 0 CBADLP CON(C)C(=O)[C@@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000863586963 583847880 /nfs/dbraw/zinc/84/78/80/583847880.db2.gz QDYXWQLFCUYUKX-MWLCHTKSSA-N 2 2 259.350 -0.561 20 0 CBADLP CON(C)C(=O)[C@@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000863586963 583847881 /nfs/dbraw/zinc/84/78/81/583847881.db2.gz QDYXWQLFCUYUKX-MWLCHTKSSA-N 2 2 259.350 -0.561 20 0 CBADLP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000863750895 583852528 /nfs/dbraw/zinc/85/25/28/583852528.db2.gz YWEPUMBKQSDFCH-MNOVXSKESA-N 2 2 293.371 -0.079 20 0 CBADLP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000863753696 583852736 /nfs/dbraw/zinc/85/27/36/583852736.db2.gz ICOXPBXGPJRHRE-SNVBAGLBSA-N 2 2 293.371 -0.079 20 0 CBADLP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000863759253 583853896 /nfs/dbraw/zinc/85/38/96/583853896.db2.gz PIUJABULJNOYJT-SNVBAGLBSA-N 2 2 293.371 -0.079 20 0 CBADLP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000863759253 583853898 /nfs/dbraw/zinc/85/38/98/583853898.db2.gz PIUJABULJNOYJT-SNVBAGLBSA-N 2 2 293.371 -0.079 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)[C@@H](C)C[N@@H+]1C ZINC000864056590 583866641 /nfs/dbraw/zinc/86/66/41/583866641.db2.gz FZBDJYNNDLYICC-YWVKMMECSA-N 2 2 252.318 -0.006 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)[C@@H](C)C[N@H+]1C ZINC000864056590 583866642 /nfs/dbraw/zinc/86/66/42/583866642.db2.gz FZBDJYNNDLYICC-YWVKMMECSA-N 2 2 252.318 -0.006 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000864080529 583872495 /nfs/dbraw/zinc/87/24/95/583872495.db2.gz HCBOXLHZQXUDOC-STQMWFEESA-N 2 2 283.372 -0.846 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000864080529 583872496 /nfs/dbraw/zinc/87/24/96/583872496.db2.gz HCBOXLHZQXUDOC-STQMWFEESA-N 2 2 283.372 -0.846 20 0 CBADLP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)C1 ZINC000865130587 583898033 /nfs/dbraw/zinc/89/80/33/583898033.db2.gz OOMDOHBAGUYSTB-KOLCDFICSA-N 2 2 252.318 -0.004 20 0 CBADLP CCCn1cc(C[NH2+]CC(=O)N2CC[NH+](C)CC2)nn1 ZINC000865434400 583905308 /nfs/dbraw/zinc/90/53/08/583905308.db2.gz IHLNWWULEHLASE-UHFFFAOYSA-N 2 2 280.376 -0.448 20 0 CBADLP CN(C(=O)[C@@H](O)c1c[nH+]c[nH]1)[C@H]1CCC[N@H+](C)C1 ZINC000866068620 583915615 /nfs/dbraw/zinc/91/56/15/583915615.db2.gz UGBSPDWDJUVFKY-ONGXEEELSA-N 2 2 252.318 -0.004 20 0 CBADLP CN(C(=O)[C@@H](O)c1c[nH+]c[nH]1)[C@H]1CCC[N@@H+](C)C1 ZINC000866068620 583915616 /nfs/dbraw/zinc/91/56/16/583915616.db2.gz UGBSPDWDJUVFKY-ONGXEEELSA-N 2 2 252.318 -0.004 20 0 CBADLP CC(=O)N1CCN(C(=O)C[N@@H+]2CC[NH2+]CCC2(C)C)CC1 ZINC000866700285 583927533 /nfs/dbraw/zinc/92/75/33/583927533.db2.gz WRYUOPRMNGDLTM-UHFFFAOYSA-N 2 2 296.415 -0.249 20 0 CBADLP CC(=O)N1CCN(C(=O)C[N@H+]2CC[NH2+]CCC2(C)C)CC1 ZINC000866700285 583927534 /nfs/dbraw/zinc/92/75/34/583927534.db2.gz WRYUOPRMNGDLTM-UHFFFAOYSA-N 2 2 296.415 -0.249 20 0 CBADLP C[N@@H+]1CC[C@H]2C[NH+](CCN3CC[NH2+]CC3)CC[C@H]21 ZINC000866703364 583927765 /nfs/dbraw/zinc/92/77/65/583927765.db2.gz HQKXUDYBSKBANM-UONOGXRCSA-N 3 2 252.406 -0.082 20 0 CBADLP C[N@H+]1CC[C@H]2C[NH+](CCN3CC[NH2+]CC3)CC[C@H]21 ZINC000866703364 583927767 /nfs/dbraw/zinc/92/77/67/583927767.db2.gz HQKXUDYBSKBANM-UONOGXRCSA-N 3 2 252.406 -0.082 20 0 CBADLP C[NH+]1CC[C@H]2C[N@H+](CCN3CC[NH2+]CC3)CC[C@H]21 ZINC000866703364 583927769 /nfs/dbraw/zinc/92/77/69/583927769.db2.gz HQKXUDYBSKBANM-UONOGXRCSA-N 3 2 252.406 -0.082 20 0 CBADLP C[NH+]1CC[C@H]2C[N@@H+](CCN3CC[NH2+]CC3)CC[C@H]21 ZINC000866703364 583927770 /nfs/dbraw/zinc/92/77/70/583927770.db2.gz HQKXUDYBSKBANM-UONOGXRCSA-N 3 2 252.406 -0.082 20 0 CBADLP COC(=O)C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866711350 583928002 /nfs/dbraw/zinc/92/80/02/583928002.db2.gz IUUSQPWDIQPLEK-BBBLOLIVSA-N 2 2 269.301 -0.974 20 0 CBADLP COC(=O)C[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866711350 583928004 /nfs/dbraw/zinc/92/80/04/583928004.db2.gz IUUSQPWDIQPLEK-BBBLOLIVSA-N 2 2 269.301 -0.974 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[NH+]3CCN2CC3)CC[N@@H+]1C ZINC000866861529 583935616 /nfs/dbraw/zinc/93/56/16/583935616.db2.gz QTHLZRZQPADJET-MELADBBJSA-N 2 2 280.416 -0.167 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[NH+]3CCN2CC3)CC[N@H+]1C ZINC000866861529 583935618 /nfs/dbraw/zinc/93/56/18/583935618.db2.gz QTHLZRZQPADJET-MELADBBJSA-N 2 2 280.416 -0.167 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)NCCC[NH+]2CCNC(=O)C2)CC[N@@H+]1C ZINC000866925553 583936978 /nfs/dbraw/zinc/93/69/78/583936978.db2.gz MIJJQNHWMMIPKP-QWHCGFSZSA-N 2 2 296.415 -0.345 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)NCCC[NH+]2CCNC(=O)C2)CC[N@H+]1C ZINC000866925553 583936980 /nfs/dbraw/zinc/93/69/80/583936980.db2.gz MIJJQNHWMMIPKP-QWHCGFSZSA-N 2 2 296.415 -0.345 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)NCCC[N@@H+]2CCNC(=O)C2)CC[NH+]1C ZINC000866925553 583936982 /nfs/dbraw/zinc/93/69/82/583936982.db2.gz MIJJQNHWMMIPKP-QWHCGFSZSA-N 2 2 296.415 -0.345 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)NCCC[N@H+]2CCNC(=O)C2)CC[NH+]1C ZINC000866925553 583936985 /nfs/dbraw/zinc/93/69/85/583936985.db2.gz MIJJQNHWMMIPKP-QWHCGFSZSA-N 2 2 296.415 -0.345 20 0 CBADLP C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000867184865 583943101 /nfs/dbraw/zinc/94/31/01/583943101.db2.gz BUPAGJATNZSKDQ-KKZNHRDASA-N 2 2 252.318 -0.006 20 0 CBADLP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000867184865 583943102 /nfs/dbraw/zinc/94/31/02/583943102.db2.gz BUPAGJATNZSKDQ-KKZNHRDASA-N 2 2 252.318 -0.006 20 0 CBADLP CN(CC[N@H+](C)C1CC1)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000867476407 583955016 /nfs/dbraw/zinc/95/50/16/583955016.db2.gz ZOVYKWCCPBNHCP-LLVKDONJSA-N 2 2 252.318 -0.004 20 0 CBADLP CN(CC[N@@H+](C)C1CC1)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000867476407 583955017 /nfs/dbraw/zinc/95/50/17/583955017.db2.gz ZOVYKWCCPBNHCP-LLVKDONJSA-N 2 2 252.318 -0.004 20 0 CBADLP O=C([C@@H](O)c1c[nH+]c[nH]1)N1CC[NH+]2CCC1CC2 ZINC000867697275 583961004 /nfs/dbraw/zinc/96/10/04/583961004.db2.gz DDDZZWZKHJGTOP-NSHDSACASA-N 2 2 250.302 -0.250 20 0 CBADLP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)N3CC[NH+](C)CC3)CC[C@H]21 ZINC000867801316 583963525 /nfs/dbraw/zinc/96/35/25/583963525.db2.gz MOEOGADPCYXQDQ-QWHCGFSZSA-N 2 2 294.399 -0.687 20 0 CBADLP C[N@H+]1CC[C@H]2CN(C(=O)C(=O)N3CC[NH+](C)CC3)CC[C@H]21 ZINC000867801316 583963527 /nfs/dbraw/zinc/96/35/27/583963527.db2.gz MOEOGADPCYXQDQ-QWHCGFSZSA-N 2 2 294.399 -0.687 20 0 CBADLP C[N@@H+]1CCn2nc(NC(=O)C[C@H]3COCC[NH2+]3)cc2C1 ZINC000868036928 583969648 /nfs/dbraw/zinc/96/96/48/583969648.db2.gz LOYORIAPVQFLMT-JTQLQIEISA-N 2 2 279.344 -0.355 20 0 CBADLP C[N@H+]1CCn2nc(NC(=O)C[C@H]3COCC[NH2+]3)cc2C1 ZINC000868036928 583969650 /nfs/dbraw/zinc/96/96/50/583969650.db2.gz LOYORIAPVQFLMT-JTQLQIEISA-N 2 2 279.344 -0.355 20 0 CBADLP C[N@@H+]1CCn2nc(NC(=O)NC/C=C\C[NH3+])cc2C1 ZINC000868205467 583972670 /nfs/dbraw/zinc/97/26/70/583972670.db2.gz MTOXYRFCXGTCPY-IHWYPQMZSA-N 2 2 264.333 -0.035 20 0 CBADLP C[N@H+]1CCn2nc(NC(=O)NC/C=C\C[NH3+])cc2C1 ZINC000868205467 583972673 /nfs/dbraw/zinc/97/26/73/583972673.db2.gz MTOXYRFCXGTCPY-IHWYPQMZSA-N 2 2 264.333 -0.035 20 0 CBADLP CC[N@@H+]1CCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)[C@@H](C)C1 ZINC000868269541 583973832 /nfs/dbraw/zinc/97/38/32/583973832.db2.gz GPUGRHOXPNTSFE-GXSJLCMTSA-N 2 2 252.318 -0.004 20 0 CBADLP CC[N@H+]1CCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)[C@@H](C)C1 ZINC000868269541 583973834 /nfs/dbraw/zinc/97/38/34/583973834.db2.gz GPUGRHOXPNTSFE-GXSJLCMTSA-N 2 2 252.318 -0.004 20 0 CBADLP CC[N@@H+]1CCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)[C@H](C)C1 ZINC000868269542 583973963 /nfs/dbraw/zinc/97/39/63/583973963.db2.gz GPUGRHOXPNTSFE-KOLCDFICSA-N 2 2 252.318 -0.004 20 0 CBADLP CC[N@H+]1CCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)[C@H](C)C1 ZINC000868269542 583973965 /nfs/dbraw/zinc/97/39/65/583973965.db2.gz GPUGRHOXPNTSFE-KOLCDFICSA-N 2 2 252.318 -0.004 20 0 CBADLP CN(CC[NH3+])C(=O)C(=O)N1CCN(C)c2[nH+]cccc2C1 ZINC000868421513 583979135 /nfs/dbraw/zinc/97/91/35/583979135.db2.gz GDQJVELHLFLMCG-UHFFFAOYSA-N 2 2 291.355 -0.723 20 0 CBADLP C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](O)c3c[nH+]c[nH]3)[C@@H]2C1 ZINC000868519568 583980523 /nfs/dbraw/zinc/98/05/23/583980523.db2.gz CKUWRIXNOBKJDT-JMJZKYOTSA-N 2 2 250.302 -0.394 20 0 CBADLP C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](O)c3c[nH+]c[nH]3)[C@@H]2C1 ZINC000868519568 583980524 /nfs/dbraw/zinc/98/05/24/583980524.db2.gz CKUWRIXNOBKJDT-JMJZKYOTSA-N 2 2 250.302 -0.394 20 0 CBADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000868587255 583982118 /nfs/dbraw/zinc/98/21/18/583982118.db2.gz XXYMMNXYEGAFFV-KOLCDFICSA-N 2 2 252.318 -0.004 20 0 CBADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000868587255 583982120 /nfs/dbraw/zinc/98/21/20/583982120.db2.gz XXYMMNXYEGAFFV-KOLCDFICSA-N 2 2 252.318 -0.004 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)C[C@H](C)[N@H+]1CCO ZINC000868723081 583984909 /nfs/dbraw/zinc/98/49/09/583984909.db2.gz YELUPPDAPQLZQB-UMNHJUIQSA-N 2 2 282.344 -0.643 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)C[C@H](C)[N@@H+]1CCO ZINC000868723081 583984911 /nfs/dbraw/zinc/98/49/11/583984911.db2.gz YELUPPDAPQLZQB-UMNHJUIQSA-N 2 2 282.344 -0.643 20 0 CBADLP C[C@@H]1C[N@H+](CCO)CCN1C(=O)/C=C\C[NH+]1CCOCC1 ZINC000868808837 583986937 /nfs/dbraw/zinc/98/69/37/583986937.db2.gz GARSXLCWTMFTAG-PYLYLYNFSA-N 2 2 297.399 -0.600 20 0 CBADLP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)/C=C\C[NH+]1CCOCC1 ZINC000868808837 583986940 /nfs/dbraw/zinc/98/69/40/583986940.db2.gz GARSXLCWTMFTAG-PYLYLYNFSA-N 2 2 297.399 -0.600 20 0 CBADLP C[C@@H]1CN(C(=O)[C@H](O)c2c[nH+]c[nH]2)[C@@H](C)C[N@@H+]1CCO ZINC000868896517 583989274 /nfs/dbraw/zinc/98/92/74/583989274.db2.gz NHZTTWQEBXYGMV-JFGNBEQYSA-N 2 2 282.344 -0.643 20 0 CBADLP C[C@@H]1CN(C(=O)[C@H](O)c2c[nH+]c[nH]2)[C@@H](C)C[N@H+]1CCO ZINC000868896517 583989275 /nfs/dbraw/zinc/98/92/75/583989275.db2.gz NHZTTWQEBXYGMV-JFGNBEQYSA-N 2 2 282.344 -0.643 20 0 CBADLP O=C(/C=C/C[NH+]1CCOCC1)NCC[N@H+]1CC[C@@H](O)C1 ZINC000869462362 584000071 /nfs/dbraw/zinc/00/00/71/584000071.db2.gz RFNSLVQCZMNCPO-ZIYVKSGCSA-N 2 2 283.372 -0.942 20 0 CBADLP O=C(/C=C/C[NH+]1CCOCC1)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000869462362 584000074 /nfs/dbraw/zinc/00/00/74/584000074.db2.gz RFNSLVQCZMNCPO-ZIYVKSGCSA-N 2 2 283.372 -0.942 20 0 CBADLP CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000869777561 584003885 /nfs/dbraw/zinc/00/38/85/584003885.db2.gz JIZJTPUDUSJOHP-JTQLQIEISA-N 2 2 266.345 -0.086 20 0 CBADLP CC(C)(O)C[N@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000869777561 584003887 /nfs/dbraw/zinc/00/38/87/584003887.db2.gz JIZJTPUDUSJOHP-JTQLQIEISA-N 2 2 266.345 -0.086 20 0 CBADLP CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000869777721 584003978 /nfs/dbraw/zinc/00/39/78/584003978.db2.gz MSSXJDMLDFDNHT-NSHDSACASA-N 2 2 266.345 -0.156 20 0 CBADLP CC(C)(O)C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000869777721 584003980 /nfs/dbraw/zinc/00/39/80/584003980.db2.gz MSSXJDMLDFDNHT-NSHDSACASA-N 2 2 266.345 -0.156 20 0 CBADLP CC[C@@H](C(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1)[NH+](C)C ZINC000870066071 584008523 /nfs/dbraw/zinc/00/85/23/584008523.db2.gz CEUPWIVKJPHNKY-KBPBESRZSA-N 2 2 299.415 -0.114 20 0 CBADLP CCOC[C@@H](O)C[NH2+][C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000872218001 584050804 /nfs/dbraw/zinc/05/08/04/584050804.db2.gz JLRLIPZCXKPYBJ-RYUDHWBXSA-N 2 2 260.378 -0.181 20 0 CBADLP CCOC[C@@H](O)C[NH2+][C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000872218001 584050805 /nfs/dbraw/zinc/05/08/05/584050805.db2.gz JLRLIPZCXKPYBJ-RYUDHWBXSA-N 2 2 260.378 -0.181 20 0 CBADLP CC(C)([NH3+])C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872255772 584052285 /nfs/dbraw/zinc/05/22/85/584052285.db2.gz MUDUZZPKGBHNGV-MXWKQRLJSA-N 3 2 268.361 -0.409 20 0 CBADLP CC(C)([NH3+])C[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872255772 584052288 /nfs/dbraw/zinc/05/22/88/584052288.db2.gz MUDUZZPKGBHNGV-MXWKQRLJSA-N 3 2 268.361 -0.409 20 0 CBADLP Cn1ccnc1C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872254546 584052332 /nfs/dbraw/zinc/05/23/32/584052332.db2.gz HIIUQIYOMGAWJP-TUAOUCFPSA-N 2 2 291.355 -0.213 20 0 CBADLP Cn1ccnc1C[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872254546 584052334 /nfs/dbraw/zinc/05/23/34/584052334.db2.gz HIIUQIYOMGAWJP-TUAOUCFPSA-N 2 2 291.355 -0.213 20 0 CBADLP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@H+](Cc2cc[nH]n2)C1 ZINC000872255430 584052435 /nfs/dbraw/zinc/05/24/35/584052435.db2.gz WWMYTXLKEIRGMF-SDDRHHMPSA-N 2 2 277.328 -0.223 20 0 CBADLP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@@H+](Cc2cc[nH]n2)C1 ZINC000872255430 584052436 /nfs/dbraw/zinc/05/24/36/584052436.db2.gz WWMYTXLKEIRGMF-SDDRHHMPSA-N 2 2 277.328 -0.223 20 0 CBADLP CN1CCN(C(=O)CN2CC[NH2+]CC2)Cc2ccc[nH+]c21 ZINC000872314776 584055284 /nfs/dbraw/zinc/05/52/84/584055284.db2.gz NZILQAIYUAHWCV-UHFFFAOYSA-N 2 2 289.383 -0.235 20 0 CBADLP Nc1cnc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)cn1 ZINC000873210741 584068923 /nfs/dbraw/zinc/06/89/23/584068923.db2.gz PZFPGDQTWDKITK-GFCCVEGCSA-N 2 2 262.361 -0.462 20 0 CBADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC(C)(C)CS(N)(=O)=O ZINC000873261757 584069590 /nfs/dbraw/zinc/06/95/90/584069590.db2.gz GVZJUGDEPGMKTI-NXEZZACHSA-N 2 2 263.407 -0.111 20 0 CBADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000874703121 584089013 /nfs/dbraw/zinc/08/90/13/584089013.db2.gz RDABGMUFTBEGGP-STQMWFEESA-N 2 2 285.388 -0.456 20 0 CBADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000874703121 584089016 /nfs/dbraw/zinc/08/90/16/584089016.db2.gz RDABGMUFTBEGGP-STQMWFEESA-N 2 2 285.388 -0.456 20 0 CBADLP CC[C@H]1COCC[NH+]1CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000874703121 584089017 /nfs/dbraw/zinc/08/90/17/584089017.db2.gz RDABGMUFTBEGGP-STQMWFEESA-N 2 2 285.388 -0.456 20 0 CBADLP CC[C@H]1COCC[NH+]1CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000874703121 584089020 /nfs/dbraw/zinc/08/90/20/584089020.db2.gz RDABGMUFTBEGGP-STQMWFEESA-N 2 2 285.388 -0.456 20 0 CBADLP [NH3+][C@H]1CCCN(C(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000876499986 584129648 /nfs/dbraw/zinc/12/96/48/584129648.db2.gz CHNHIMUMMCFWPG-KMOQFTEPSA-N 2 2 253.346 -0.176 20 0 CBADLP COC[C@]1(C(=O)Nc2ccc(N)[nH+]c2)C[NH2+]CCO1 ZINC000876523431 584131050 /nfs/dbraw/zinc/13/10/50/584131050.db2.gz WCHXTANGSRHUAU-LBPRGKRZSA-N 2 2 266.301 -0.393 20 0 CBADLP O=C(/C=C\C[NH+]1CCOCC1)NC[C@@H]1CCC[NH2+]1 ZINC000876522180 584131143 /nfs/dbraw/zinc/13/11/43/584131143.db2.gz KGVZIXLJCYPBIA-QQHVMHFCSA-N 2 2 253.346 -0.257 20 0 CBADLP C[NH2+]C[C@H]1CCN(C(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000876527006 584131268 /nfs/dbraw/zinc/13/12/68/584131268.db2.gz OOMOONRXLOPBRG-XQJDBVBESA-N 2 2 267.373 -0.057 20 0 CBADLP C[NH2+]C[C@@H]1CCN(C(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000876527008 584131287 /nfs/dbraw/zinc/13/12/87/584131287.db2.gz OOMOONRXLOPBRG-ZRMMWKCHSA-N 2 2 267.373 -0.057 20 0 CBADLP C[C@H]1CN(C(=O)/C=C\C[NH+]2CCOCC2)CC[NH2+]1 ZINC000876529040 584131549 /nfs/dbraw/zinc/13/15/49/584131549.db2.gz CZVWVQNCUOCRFD-DLGQBQFBSA-N 2 2 253.346 -0.305 20 0 CBADLP C[C@@H]1CN(C(=O)/C=C\C[NH+]2CCOCC2)CC[NH2+]1 ZINC000876529043 584131611 /nfs/dbraw/zinc/13/16/11/584131611.db2.gz CZVWVQNCUOCRFD-ZZKXABKFSA-N 2 2 253.346 -0.305 20 0 CBADLP CN(C(=O)/C=C\C[NH+]1CCOCC1)[C@@H]1CC[NH2+]C1 ZINC000876527532 584131643 /nfs/dbraw/zinc/13/16/43/584131643.db2.gz ADZRIISGOQSRSM-ZZKXABKFSA-N 2 2 253.346 -0.305 20 0 CBADLP CC(C)N1C(=O)CC[C@H]1C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000876542218 584132323 /nfs/dbraw/zinc/13/23/23/584132323.db2.gz LPFASCXNFDWNCC-RYUDHWBXSA-N 2 2 282.388 -0.513 20 0 CBADLP CC(C)N1C(=O)CC[C@H]1C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000876542218 584132325 /nfs/dbraw/zinc/13/23/25/584132325.db2.gz LPFASCXNFDWNCC-RYUDHWBXSA-N 2 2 282.388 -0.513 20 0 CBADLP C[C@H](C(=O)N(C)C1CCC([NH3+])CC1)N1CC[NH2+]CC1=O ZINC000876540906 584132481 /nfs/dbraw/zinc/13/24/81/584132481.db2.gz QJKOAGOBBDSPPC-VOMCLLRMSA-N 2 2 282.388 -0.465 20 0 CBADLP C[C@H]([NH3+])[C@H]1CN(C(=O)/C=C\C[NH+]2CCOCC2)CCO1 ZINC000876542986 584132780 /nfs/dbraw/zinc/13/27/80/584132780.db2.gz CAOGYOMLHMVKAR-GPRRCUJPSA-N 2 2 283.372 -0.551 20 0 CBADLP O=C(/C=C/[C@H]1CCC[NH2+]C1)NCC[NH+]1CCOCC1 ZINC000876708143 584140397 /nfs/dbraw/zinc/14/03/97/584140397.db2.gz XTMTVAHKIHNQRJ-ITDFMYJTSA-N 2 2 267.373 -0.009 20 0 CBADLP CCOCC[NH+]1CCN(C(=O)c2c(C[NH3+])cnn2C)CC1 ZINC000876718813 584140678 /nfs/dbraw/zinc/14/06/78/584140678.db2.gz VEXJIQWEDFOKCX-UHFFFAOYSA-N 2 2 295.387 -0.327 20 0 CBADLP C[NH+](C)C[C@H](N)C(=O)NCCCNc1cccc[nH+]1 ZINC000876727031 584141423 /nfs/dbraw/zinc/14/14/23/584141423.db2.gz CMRZFAWETYAFCA-NSHDSACASA-N 2 2 265.361 -0.111 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H](F)[C@H]2CC[NH2+]C2)CCO1 ZINC000876746869 584142091 /nfs/dbraw/zinc/14/20/91/584142091.db2.gz QLUMECNMNYQHNT-GRYCIOLGSA-N 2 2 273.352 -0.229 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H](F)[C@H]2CC[NH2+]C2)CCO1 ZINC000876746869 584142094 /nfs/dbraw/zinc/14/20/94/584142094.db2.gz QLUMECNMNYQHNT-GRYCIOLGSA-N 2 2 273.352 -0.229 20 0 CBADLP C[NH+](C)C[C@H](N)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000876750968 584142393 /nfs/dbraw/zinc/14/23/93/584142393.db2.gz KXQWKJRRXAXAHN-KGLIPLIRSA-N 2 2 298.431 -0.411 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F)[NH+]1CCN(C)CC1 ZINC000876781331 584144159 /nfs/dbraw/zinc/14/41/59/584144159.db2.gz GEHNMBSNIIHINZ-VWYCJHECSA-N 2 2 290.358 -0.422 20 0 CBADLP C[NH+](C)C[C@H](N)C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000876780029 584144253 /nfs/dbraw/zinc/14/42/53/584144253.db2.gz QQLZTGMTDUSUBP-AWEZNQCLSA-N 2 2 291.399 -0.385 20 0 CBADLP CN1CC[N@H+](C)[C@H](CNC(=O)/C=C/[C@H]2CCC[NH2+]C2)C1 ZINC000876784086 584144695 /nfs/dbraw/zinc/14/46/95/584144695.db2.gz WKRISQISEIZFQB-QAMKJQMISA-N 2 2 280.416 -0.096 20 0 CBADLP CN1CC[N@@H+](C)[C@H](CNC(=O)/C=C/[C@H]2CCC[NH2+]C2)C1 ZINC000876784086 584144698 /nfs/dbraw/zinc/14/46/98/584144698.db2.gz WKRISQISEIZFQB-QAMKJQMISA-N 2 2 280.416 -0.096 20 0 CBADLP O=C(/C=C/C[NH+]1CCOCC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000876837509 584148515 /nfs/dbraw/zinc/14/85/15/584148515.db2.gz IWBHULHHMLBBKX-DQOPJHAQSA-N 2 2 265.357 -0.447 20 0 CBADLP [NH3+]CC[C@H](NC(=O)/C=C\C[NH+]1CCOCC1)C(F)F ZINC000876864784 584150699 /nfs/dbraw/zinc/15/06/99/584150699.db2.gz VRKKHIKLZHURTC-SYBPUXJVSA-N 2 2 277.315 -0.027 20 0 CBADLP C[C@H](C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1)N1CC[NH2+]CC1=O ZINC000876903090 584154364 /nfs/dbraw/zinc/15/43/64/584154364.db2.gz KIKSSOWTPKCAHM-MNOVXSKESA-N 2 2 291.355 -0.107 20 0 CBADLP C[C@@H](C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1)N1CC[NH2+]CC1=O ZINC000876903092 584154435 /nfs/dbraw/zinc/15/44/35/584154435.db2.gz KIKSSOWTPKCAHM-WDEREUQCSA-N 2 2 291.355 -0.107 20 0 CBADLP O=C([C@H](F)[C@H]1CC[NH2+]C1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000876965797 584158548 /nfs/dbraw/zinc/15/85/48/584158548.db2.gz JZZYSNAULCBRSE-RWMBFGLXSA-N 2 2 285.363 -0.133 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)c2c(C[NH3+])cnn2C)[C@@H](C)CO1 ZINC000876961207 584158638 /nfs/dbraw/zinc/15/86/38/584158638.db2.gz RVIUGHMFLCKPLF-QWRGUYRKSA-N 2 2 295.387 -0.282 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)c2c(C[NH3+])cnn2C)[C@@H](C)CO1 ZINC000876961207 584158640 /nfs/dbraw/zinc/15/86/40/584158640.db2.gz RVIUGHMFLCKPLF-QWRGUYRKSA-N 2 2 295.387 -0.282 20 0 CBADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)[C@@H](N)C[NH+](C)C ZINC000876961230 584158664 /nfs/dbraw/zinc/15/86/64/584158664.db2.gz SJZDDMBXHJMATK-WOPDTQHZSA-N 2 2 272.393 -0.899 20 0 CBADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)[C@@H](N)C[NH+](C)C ZINC000876961230 584158666 /nfs/dbraw/zinc/15/86/66/584158666.db2.gz SJZDDMBXHJMATK-WOPDTQHZSA-N 2 2 272.393 -0.899 20 0 CBADLP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000877034427 584162722 /nfs/dbraw/zinc/16/27/22/584162722.db2.gz HSQPQDASRMTWDI-ZUEAMBOYSA-N 2 2 267.373 -0.155 20 0 CBADLP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000877034427 584162723 /nfs/dbraw/zinc/16/27/23/584162723.db2.gz HSQPQDASRMTWDI-ZUEAMBOYSA-N 2 2 267.373 -0.155 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000877035839 584163073 /nfs/dbraw/zinc/16/30/73/584163073.db2.gz LELHOGZLYKYOBS-VIFPVBQESA-N 2 2 279.344 -0.884 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000877035839 584163075 /nfs/dbraw/zinc/16/30/75/584163075.db2.gz LELHOGZLYKYOBS-VIFPVBQESA-N 2 2 279.344 -0.884 20 0 CBADLP C[C@H](C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1)N1CC[NH2+]CC1=O ZINC000877150824 584168239 /nfs/dbraw/zinc/16/82/39/584168239.db2.gz CVPGJTBRIYQYBE-NEPJUHHUSA-N 2 2 296.415 -0.299 20 0 CBADLP C[C@@H]1C[C@H]([NH3+])CN1C(=O)/C=C/C[NH+]1CCOCC1 ZINC000877173103 584169100 /nfs/dbraw/zinc/16/91/00/584169100.db2.gz YIMWBJHKRGWTOB-FQVTYBBZSA-N 2 2 253.346 -0.177 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC000877178425 584169570 /nfs/dbraw/zinc/16/95/70/584169570.db2.gz UZHODBCFJFERJH-MCDVFOBDSA-N 2 2 267.373 -0.195 20 0 CBADLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2cccc(S(N)(=O)=O)c2)C1 ZINC000877363017 584179770 /nfs/dbraw/zinc/17/97/70/584179770.db2.gz AMXSXTRBNZFJEA-CYBMUJFWSA-N 2 2 299.396 -0.510 20 0 CBADLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2cccc(S(N)(=O)=O)c2)C1 ZINC000877363017 584179772 /nfs/dbraw/zinc/17/97/72/584179772.db2.gz AMXSXTRBNZFJEA-CYBMUJFWSA-N 2 2 299.396 -0.510 20 0 CBADLP C[C@]12C[NH2+]C[C@H]1CN(C(=O)c1n[nH]c3c1C[NH2+]CC3)C2 ZINC000877375455 584180174 /nfs/dbraw/zinc/18/01/74/584180174.db2.gz YKDJJBZKODQHDP-LKFCYVNXSA-N 2 2 275.356 -0.263 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877388745 584180401 /nfs/dbraw/zinc/18/04/01/584180401.db2.gz FFBJIDFVQUIUIX-SWLSCSKDSA-N 2 2 296.415 -0.156 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877388745 584180403 /nfs/dbraw/zinc/18/04/03/584180403.db2.gz FFBJIDFVQUIUIX-SWLSCSKDSA-N 2 2 296.415 -0.156 20 0 CBADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]1C[NH2+]CCO1 ZINC000877432795 584181295 /nfs/dbraw/zinc/18/12/95/584181295.db2.gz HFDGFCQISQLMRR-NWDGAFQWSA-N 2 2 271.361 -0.798 20 0 CBADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@H]1C[NH2+]CCO1 ZINC000877432795 584181297 /nfs/dbraw/zinc/18/12/97/584181297.db2.gz HFDGFCQISQLMRR-NWDGAFQWSA-N 2 2 271.361 -0.798 20 0 CBADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H](N)C[NH+](C)C ZINC000877434366 584181534 /nfs/dbraw/zinc/18/15/34/584181534.db2.gz QGKWSHIHRDTTGK-NEPJUHHUSA-N 2 2 272.393 -0.898 20 0 CBADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H](N)C[NH+](C)C ZINC000877434366 584181536 /nfs/dbraw/zinc/18/15/36/584181536.db2.gz QGKWSHIHRDTTGK-NEPJUHHUSA-N 2 2 272.393 -0.898 20 0 CBADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000877433956 584181605 /nfs/dbraw/zinc/18/16/05/584181605.db2.gz KVGYKJIFQOAHAN-GRYCIOLGSA-N 2 2 255.362 -0.049 20 0 CBADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000877433956 584181606 /nfs/dbraw/zinc/18/16/06/584181606.db2.gz KVGYKJIFQOAHAN-GRYCIOLGSA-N 2 2 255.362 -0.049 20 0 CBADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000877435300 584181899 /nfs/dbraw/zinc/18/18/99/584181899.db2.gz ZUXABQWNPYHBON-GUTXKFCHSA-N 2 2 297.399 -0.551 20 0 CBADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000877435300 584181901 /nfs/dbraw/zinc/18/19/01/584181901.db2.gz ZUXABQWNPYHBON-GUTXKFCHSA-N 2 2 297.399 -0.551 20 0 CBADLP CNC(=O)[C@@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000877992668 584189934 /nfs/dbraw/zinc/18/99/34/584189934.db2.gz YTFZNCMGEQSBJO-LBPRGKRZSA-N 2 2 282.388 -0.593 20 0 CBADLP CNC(=O)[C@@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000877992668 584189936 /nfs/dbraw/zinc/18/99/36/584189936.db2.gz YTFZNCMGEQSBJO-LBPRGKRZSA-N 2 2 282.388 -0.593 20 0 CBADLP COC[C@H]1C[N@H+](CC(=O)NC2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000878482877 584205212 /nfs/dbraw/zinc/20/52/12/584205212.db2.gz AKMNQUJCHQQASB-GXTWGEPZSA-N 2 2 299.415 -0.068 20 0 CBADLP COC[C@H]1C[N@@H+](CC(=O)NC2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000878482877 584205213 /nfs/dbraw/zinc/20/52/13/584205213.db2.gz AKMNQUJCHQQASB-GXTWGEPZSA-N 2 2 299.415 -0.068 20 0 CBADLP c1nnnn1CC[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000878552434 584207975 /nfs/dbraw/zinc/20/79/75/584207975.db2.gz PCXUFRATIGZHQG-ZDUSSCGKSA-N 2 2 280.376 -0.140 20 0 CBADLP c1nnnn1CC[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000878552434 584207977 /nfs/dbraw/zinc/20/79/77/584207977.db2.gz PCXUFRATIGZHQG-ZDUSSCGKSA-N 2 2 280.376 -0.140 20 0 CBADLP CC(C)C[NH2+]C1(CO)CC[NH+](CCn2cnnn2)CC1 ZINC000878670656 584212970 /nfs/dbraw/zinc/21/29/70/584212970.db2.gz PEDFTTSEYGVCQK-UHFFFAOYSA-N 2 2 282.392 -0.254 20 0 CBADLP NC(=O)[C@H](F)C1CC[NH+](C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000879047407 584225194 /nfs/dbraw/zinc/22/51/94/584225194.db2.gz OEZCOLMUVCDFSO-QWHCGFSZSA-N 2 2 287.379 -0.022 20 0 CBADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H]1CC2(CC2)C(=O)O1 ZINC000879355858 584233355 /nfs/dbraw/zinc/23/33/55/584233355.db2.gz PRFKOLHDIBUKTB-LBPRGKRZSA-N 2 2 295.383 -0.212 20 0 CBADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H]1CC2(CC2)C(=O)O1 ZINC000879355858 584233356 /nfs/dbraw/zinc/23/33/56/584233356.db2.gz PRFKOLHDIBUKTB-LBPRGKRZSA-N 2 2 295.383 -0.212 20 0 CBADLP COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H](C)[NH+](C)C ZINC000879549232 584240376 /nfs/dbraw/zinc/24/03/76/584240376.db2.gz PMSMLVUWLFKPLG-VHSXEESVSA-N 2 2 268.317 -0.509 20 0 CBADLP C[N@@H+]1CC[C@@H]2C[NH+](CCNS(C)(=O)=O)CC[C@@H]21 ZINC000879573486 584241321 /nfs/dbraw/zinc/24/13/21/584241321.db2.gz OUCGMNHSGPPEDE-MNOVXSKESA-N 2 2 261.391 -0.438 20 0 CBADLP C[N@H+]1CC[C@@H]2C[NH+](CCNS(C)(=O)=O)CC[C@@H]21 ZINC000879573486 584241324 /nfs/dbraw/zinc/24/13/24/584241324.db2.gz OUCGMNHSGPPEDE-MNOVXSKESA-N 2 2 261.391 -0.438 20 0 CBADLP C[NH+]1CC[C@@H]2C[N@H+](CCNS(C)(=O)=O)CC[C@@H]21 ZINC000879573486 584241326 /nfs/dbraw/zinc/24/13/26/584241326.db2.gz OUCGMNHSGPPEDE-MNOVXSKESA-N 2 2 261.391 -0.438 20 0 CBADLP C[NH+]1CC[C@@H]2C[N@@H+](CCNS(C)(=O)=O)CC[C@@H]21 ZINC000879573486 584241328 /nfs/dbraw/zinc/24/13/28/584241328.db2.gz OUCGMNHSGPPEDE-MNOVXSKESA-N 2 2 261.391 -0.438 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879572800 584241375 /nfs/dbraw/zinc/24/13/75/584241375.db2.gz RPGZBOLHLNPJTA-BBBLOLIVSA-N 2 2 254.334 -0.404 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879572800 584241376 /nfs/dbraw/zinc/24/13/76/584241376.db2.gz RPGZBOLHLNPJTA-BBBLOLIVSA-N 2 2 254.334 -0.404 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879572800 584241378 /nfs/dbraw/zinc/24/13/78/584241378.db2.gz RPGZBOLHLNPJTA-BBBLOLIVSA-N 2 2 254.334 -0.404 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879572800 584241379 /nfs/dbraw/zinc/24/13/79/584241379.db2.gz RPGZBOLHLNPJTA-BBBLOLIVSA-N 2 2 254.334 -0.404 20 0 CBADLP CNS(=O)(=O)CCC[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879573844 584241417 /nfs/dbraw/zinc/24/14/17/584241417.db2.gz SLSLPVAAKUSGGT-VXGBXAGGSA-N 2 2 275.418 -0.048 20 0 CBADLP CNS(=O)(=O)CCC[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879573844 584241419 /nfs/dbraw/zinc/24/14/19/584241419.db2.gz SLSLPVAAKUSGGT-VXGBXAGGSA-N 2 2 275.418 -0.048 20 0 CBADLP CNS(=O)(=O)CCC[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879573844 584241420 /nfs/dbraw/zinc/24/14/20/584241420.db2.gz SLSLPVAAKUSGGT-VXGBXAGGSA-N 2 2 275.418 -0.048 20 0 CBADLP CNS(=O)(=O)CCC[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879573844 584241422 /nfs/dbraw/zinc/24/14/22/584241422.db2.gz SLSLPVAAKUSGGT-VXGBXAGGSA-N 2 2 275.418 -0.048 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(CO)(CO)CC1 ZINC000879971483 584257170 /nfs/dbraw/zinc/25/71/70/584257170.db2.gz WPLVBHLNLPBJHU-GFCCVEGCSA-N 2 2 260.378 -0.634 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(CO)(CO)CC1 ZINC000879971483 584257171 /nfs/dbraw/zinc/25/71/71/584257171.db2.gz WPLVBHLNLPBJHU-GFCCVEGCSA-N 2 2 260.378 -0.634 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)N[C@H](CO)C[NH+]1CCCC1 ZINC000879995307 584258795 /nfs/dbraw/zinc/25/87/95/584258795.db2.gz UPXWJOKQWGUSLF-LBPRGKRZSA-N 2 2 266.345 -0.085 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)N[C@H](CO)C[NH+]1CCCC1 ZINC000879995307 584258797 /nfs/dbraw/zinc/25/87/97/584258797.db2.gz UPXWJOKQWGUSLF-LBPRGKRZSA-N 2 2 266.345 -0.085 20 0 CBADLP Cn1nnnc1CC[N@@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000880141249 584264061 /nfs/dbraw/zinc/26/40/61/584264061.db2.gz OMONDIWVLAUEBQ-GHMZBOCLSA-N 2 2 250.350 -0.079 20 0 CBADLP Cn1nnnc1CC[N@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000880141249 584264062 /nfs/dbraw/zinc/26/40/62/584264062.db2.gz OMONDIWVLAUEBQ-GHMZBOCLSA-N 2 2 250.350 -0.079 20 0 CBADLP Cn1nnnc1CC[NH+]1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000880141249 584264063 /nfs/dbraw/zinc/26/40/63/584264063.db2.gz OMONDIWVLAUEBQ-GHMZBOCLSA-N 2 2 250.350 -0.079 20 0 CBADLP Cn1nnnc1CC[NH+]1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000880141249 584264065 /nfs/dbraw/zinc/26/40/65/584264065.db2.gz OMONDIWVLAUEBQ-GHMZBOCLSA-N 2 2 250.350 -0.079 20 0 CBADLP C[N@H+](C[C@@H](O)C[NH+](CC(N)=O)C1CCOCC1)C1CC1 ZINC000880395685 584271156 /nfs/dbraw/zinc/27/11/56/584271156.db2.gz QPGXLFFJEPAPQA-CYBMUJFWSA-N 2 2 285.388 -0.592 20 0 CBADLP C[N@@H+](C[C@@H](O)C[NH+](CC(N)=O)C1CCOCC1)C1CC1 ZINC000880395685 584271158 /nfs/dbraw/zinc/27/11/58/584271158.db2.gz QPGXLFFJEPAPQA-CYBMUJFWSA-N 2 2 285.388 -0.592 20 0 CBADLP C[NH+](C[C@@H](O)C[N@H+](CC(N)=O)C1CCOCC1)C1CC1 ZINC000880395685 584271160 /nfs/dbraw/zinc/27/11/60/584271160.db2.gz QPGXLFFJEPAPQA-CYBMUJFWSA-N 2 2 285.388 -0.592 20 0 CBADLP C[NH+](C[C@@H](O)C[N@@H+](CC(N)=O)C1CCOCC1)C1CC1 ZINC000880395685 584271161 /nfs/dbraw/zinc/27/11/61/584271161.db2.gz QPGXLFFJEPAPQA-CYBMUJFWSA-N 2 2 285.388 -0.592 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1[C@@H](C)CC[C@H]1CO ZINC000880443333 584274388 /nfs/dbraw/zinc/27/43/88/584274388.db2.gz GWQXLHWKCPXQEZ-AVGNSLFASA-N 2 2 260.378 -0.229 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1[C@@H](C)CC[C@H]1CO ZINC000880443333 584274390 /nfs/dbraw/zinc/27/43/90/584274390.db2.gz GWQXLHWKCPXQEZ-AVGNSLFASA-N 2 2 260.378 -0.229 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1[C@@H](C)CC[C@H]1CO ZINC000880443333 584274392 /nfs/dbraw/zinc/27/43/92/584274392.db2.gz GWQXLHWKCPXQEZ-AVGNSLFASA-N 2 2 260.378 -0.229 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1[C@@H](C)CC[C@H]1CO ZINC000880443333 584274395 /nfs/dbraw/zinc/27/43/95/584274395.db2.gz GWQXLHWKCPXQEZ-AVGNSLFASA-N 2 2 260.378 -0.229 20 0 CBADLP COC(=O)[C@]1(O)CC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000880559204 584278908 /nfs/dbraw/zinc/27/89/08/584278908.db2.gz BOBXYVRLOOWPDA-YPMHNXCESA-N 2 2 272.345 -0.947 20 0 CBADLP COC(=O)[C@]1(O)CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000880559204 584278909 /nfs/dbraw/zinc/27/89/09/584278909.db2.gz BOBXYVRLOOWPDA-YPMHNXCESA-N 2 2 272.345 -0.947 20 0 CBADLP COC(=O)[C@]1(O)CC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000880564697 584280844 /nfs/dbraw/zinc/28/08/44/584280844.db2.gz DOUJRNPKOLDPHP-YPMHNXCESA-N 2 2 272.345 -0.949 20 0 CBADLP COC(=O)[C@]1(O)CC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000880564697 584280845 /nfs/dbraw/zinc/28/08/45/584280845.db2.gz DOUJRNPKOLDPHP-YPMHNXCESA-N 2 2 272.345 -0.949 20 0 CBADLP COC(=O)[C@]1(O)CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000880564697 584280846 /nfs/dbraw/zinc/28/08/46/584280846.db2.gz DOUJRNPKOLDPHP-YPMHNXCESA-N 2 2 272.345 -0.949 20 0 CBADLP COC(=O)[C@]1(O)CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000880564697 584280847 /nfs/dbraw/zinc/28/08/47/584280847.db2.gz DOUJRNPKOLDPHP-YPMHNXCESA-N 2 2 272.345 -0.949 20 0 CBADLP COC(=O)[C@]1(O)CC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000880564539 584280949 /nfs/dbraw/zinc/28/09/49/584280949.db2.gz AWIGNUOULBJWHE-AAEUAGOBSA-N 2 2 274.361 -0.703 20 0 CBADLP COC(=O)[C@]1(O)CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000880564539 584280950 /nfs/dbraw/zinc/28/09/50/584280950.db2.gz AWIGNUOULBJWHE-AAEUAGOBSA-N 2 2 274.361 -0.703 20 0 CBADLP COC(=O)[C@]1(O)CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C1 ZINC000880564539 584280952 /nfs/dbraw/zinc/28/09/52/584280952.db2.gz AWIGNUOULBJWHE-AAEUAGOBSA-N 2 2 274.361 -0.703 20 0 CBADLP COC(=O)[C@]1(O)CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000880564539 584280954 /nfs/dbraw/zinc/28/09/54/584280954.db2.gz AWIGNUOULBJWHE-AAEUAGOBSA-N 2 2 274.361 -0.703 20 0 CBADLP C[C@H]1COCC[C@H]1[NH2+]CC[N@H+](C)CCOCCO ZINC000883351309 584340544 /nfs/dbraw/zinc/34/05/44/584340544.db2.gz CESZNSNPJTWVHT-QWHCGFSZSA-N 2 2 260.378 -0.058 20 0 CBADLP C[C@H]1COCC[C@H]1[NH2+]CC[N@@H+](C)CCOCCO ZINC000883351309 584340545 /nfs/dbraw/zinc/34/05/45/584340545.db2.gz CESZNSNPJTWVHT-QWHCGFSZSA-N 2 2 260.378 -0.058 20 0 CBADLP C[C@@H]1COCC[C@H]1[NH2+]CC[N@H+](C)CCOCCO ZINC000883351307 584340552 /nfs/dbraw/zinc/34/05/52/584340552.db2.gz CESZNSNPJTWVHT-CHWSQXEVSA-N 2 2 260.378 -0.058 20 0 CBADLP C[C@@H]1COCC[C@H]1[NH2+]CC[N@@H+](C)CCOCCO ZINC000883351307 584340553 /nfs/dbraw/zinc/34/05/53/584340553.db2.gz CESZNSNPJTWVHT-CHWSQXEVSA-N 2 2 260.378 -0.058 20 0 CBADLP OCCN(CC[NH+]1CCOCC1)C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883423175 584341735 /nfs/dbraw/zinc/34/17/35/584341735.db2.gz FIODKBUGXKOLCT-STQMWFEESA-N 2 2 275.368 -0.687 20 0 CBADLP Cn1ccn2c(C[NH2+][C@H]3C[C@H]([NH3+])C3(C)C)nnc2c1=O ZINC000883441028 584342796 /nfs/dbraw/zinc/34/27/96/584342796.db2.gz FYSSWGXASKYWQX-IUCAKERBSA-N 2 2 276.344 -0.357 20 0 CBADLP CO[C@@H](C[NH3+])C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000884213359 584367666 /nfs/dbraw/zinc/36/76/66/584367666.db2.gz ZGHJQYKAVCBRKQ-MXWKQRLJSA-N 2 2 259.350 -0.815 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH3+])C1(C)C ZINC000884360105 584376226 /nfs/dbraw/zinc/37/62/26/584376226.db2.gz VAAGADMXVXBWSL-QWRGUYRKSA-N 2 2 284.404 -0.315 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@H]1C[C@H]([NH3+])C1(C)C ZINC000884360105 584376227 /nfs/dbraw/zinc/37/62/27/584376227.db2.gz VAAGADMXVXBWSL-QWRGUYRKSA-N 2 2 284.404 -0.315 20 0 CBADLP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000884651644 584392945 /nfs/dbraw/zinc/39/29/45/584392945.db2.gz VDTSJGAGYHHSIX-MNOVXSKESA-N 2 2 279.344 -0.663 20 0 CBADLP CN(CC[NH3+])C(=O)C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000885023119 584407002 /nfs/dbraw/zinc/40/70/02/584407002.db2.gz WNVAQUJYNKJXQB-ZDUSSCGKSA-N 2 2 290.367 -0.294 20 0 CBADLP CN(CC[NH3+])C(=O)C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000885023119 584407004 /nfs/dbraw/zinc/40/70/04/584407004.db2.gz WNVAQUJYNKJXQB-ZDUSSCGKSA-N 2 2 290.367 -0.294 20 0 CBADLP CCN(C(=O)NCC[NH+]1CCOCC1)[C@@H]1CC[NH2+]C1 ZINC000887278491 584465705 /nfs/dbraw/zinc/46/57/05/584465705.db2.gz FELCRIUDFISPTD-GFCCVEGCSA-N 2 2 270.377 -0.288 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)N2CCN(C)CC[NH+](C)CC2)C1 ZINC000888990704 584512214 /nfs/dbraw/zinc/51/22/14/584512214.db2.gz AMOWFTUCDSRCPR-AWEZNQCLSA-N 2 2 298.431 -0.587 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)N2CCN(C)CC[NH+](C)CC2)C1 ZINC000888990704 584512216 /nfs/dbraw/zinc/51/22/16/584512216.db2.gz AMOWFTUCDSRCPR-AWEZNQCLSA-N 2 2 298.431 -0.587 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)N2CCN(C)CC[N@H+](C)CC2)C1 ZINC000888990704 584512217 /nfs/dbraw/zinc/51/22/17/584512217.db2.gz AMOWFTUCDSRCPR-AWEZNQCLSA-N 2 2 298.431 -0.587 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)N2CCN(C)CC[N@@H+](C)CC2)C1 ZINC000888990704 584512219 /nfs/dbraw/zinc/51/22/19/584512219.db2.gz AMOWFTUCDSRCPR-AWEZNQCLSA-N 2 2 298.431 -0.587 20 0 CBADLP Cn1c[nH+]c(CNC(=O)C2C[NH+]([C@@H]3CCOC3)C2)c1 ZINC000890103626 584543424 /nfs/dbraw/zinc/54/34/24/584543424.db2.gz NPGBDCQGJQAJKF-GFCCVEGCSA-N 2 2 264.329 -0.243 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891349037 584579522 /nfs/dbraw/zinc/57/95/22/584579522.db2.gz GFQWKBOAKYLSHR-UPJWGTAASA-N 2 2 282.388 -0.147 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000891350419 584579699 /nfs/dbraw/zinc/57/96/99/584579699.db2.gz RIBDBLXJTVRPAZ-SRVKXCTJSA-N 2 2 270.377 -0.256 20 0 CBADLP CC1(C)COCC[N@@H+]1CCNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891508019 584583227 /nfs/dbraw/zinc/58/32/27/584583227.db2.gz WTDXKDRHEBKGDB-RYUDHWBXSA-N 2 2 282.388 -0.147 20 0 CBADLP CC1(C)COCC[N@H+]1CCNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891508019 584583229 /nfs/dbraw/zinc/58/32/29/584583229.db2.gz WTDXKDRHEBKGDB-RYUDHWBXSA-N 2 2 282.388 -0.147 20 0 CBADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891527341 584584312 /nfs/dbraw/zinc/58/43/12/584584312.db2.gz KCSGYSSAOSIZRZ-AVGNSLFASA-N 2 2 281.404 -0.622 20 0 CBADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000891527799 584584378 /nfs/dbraw/zinc/58/43/78/584584378.db2.gz LOLJSXUKZDIFAQ-FRRDWIJNSA-N 2 2 283.420 -0.247 20 0 CBADLP O=C(N[C@H]1CCn2cc[nH+]c2C1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891819196 584592759 /nfs/dbraw/zinc/59/27/59/584592759.db2.gz OONUCWVTVDMRTL-DCAQKATOSA-N 2 2 261.329 -0.046 20 0 CBADLP [NH3+][C@H]1C[C@@H](CNC(=O)NCC2([NH+]3CCOCC3)CC2)C1 ZINC000891858269 584593285 /nfs/dbraw/zinc/59/32/85/584593285.db2.gz NHWIAFDATCSBBB-TXEJJXNPSA-N 2 2 282.388 -0.112 20 0 CBADLP [NH3+][C@H]1C[C@@H](CNC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000892551921 584618451 /nfs/dbraw/zinc/61/84/51/584618451.db2.gz PXKLHVNJNALWMQ-MPZDIEGVSA-N 2 2 282.388 -0.114 20 0 CBADLP [NH3+][C@H]1C[C@@H](CNC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000892551921 584618453 /nfs/dbraw/zinc/61/84/53/584618453.db2.gz PXKLHVNJNALWMQ-MPZDIEGVSA-N 2 2 282.388 -0.114 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892562481 584619025 /nfs/dbraw/zinc/61/90/25/584619025.db2.gz HKAHPFQQRDVQCM-TXEJJXNPSA-N 2 2 270.377 -0.303 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892577411 584619790 /nfs/dbraw/zinc/61/97/90/584619790.db2.gz HKAHPFQQRDVQCM-HAQNSBGRSA-N 2 2 270.377 -0.303 20 0 CBADLP C[N@@H+]1CCN(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H](C[NH3+])C1 ZINC000892586888 584620130 /nfs/dbraw/zinc/62/01/30/584620130.db2.gz GDRCRXUJBFGIMH-XJFOESAGSA-N 3 2 295.431 -0.199 20 0 CBADLP C[N@H+]1CCN(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H](C[NH3+])C1 ZINC000892586888 584620132 /nfs/dbraw/zinc/62/01/32/584620132.db2.gz GDRCRXUJBFGIMH-XJFOESAGSA-N 3 2 295.431 -0.199 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CC[C@H]3CO)C2)CC1 ZINC000893020649 584632740 /nfs/dbraw/zinc/63/27/40/584632740.db2.gz AYHFSWAOMMJFCM-OCCSQVGLSA-N 2 2 296.415 -0.069 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CC[C@H]3CO)C2)CC1 ZINC000893020649 584632741 /nfs/dbraw/zinc/63/27/41/584632741.db2.gz AYHFSWAOMMJFCM-OCCSQVGLSA-N 2 2 296.415 -0.069 20 0 CBADLP Nc1nc(N2CC[N@@H+]3CCOC[C@@H]3C2)nc(C2CC2)[nH+]1 ZINC000893160411 584636042 /nfs/dbraw/zinc/63/60/42/584636042.db2.gz WGVRMRQPPKHJJI-JTQLQIEISA-N 2 2 276.344 -0.148 20 0 CBADLP Nc1nc(N2CC[N@H+]3CCOC[C@@H]3C2)nc(C2CC2)[nH+]1 ZINC000893160411 584636044 /nfs/dbraw/zinc/63/60/44/584636044.db2.gz WGVRMRQPPKHJJI-JTQLQIEISA-N 2 2 276.344 -0.148 20 0 CBADLP Cc1cc(N)nc(N2CC[N@H+](CCO)[C@H](C)C2)[nH+]1 ZINC000893276500 584638372 /nfs/dbraw/zinc/63/83/72/584638372.db2.gz IIWCBFWYZYBJAQ-SNVBAGLBSA-N 2 2 251.334 -0.130 20 0 CBADLP Cc1cc(N)nc(N2CC[N@@H+](CCO)[C@H](C)C2)[nH+]1 ZINC000893276500 584638373 /nfs/dbraw/zinc/63/83/73/584638373.db2.gz IIWCBFWYZYBJAQ-SNVBAGLBSA-N 2 2 251.334 -0.130 20 0 CBADLP O=C(NCC[NH+]1CCOCC1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000895482168 584680042 /nfs/dbraw/zinc/68/00/42/584680042.db2.gz XNEOLGYEUGQGOZ-CYBMUJFWSA-N 2 2 283.372 -0.845 20 0 CBADLP COC(=O)[C@@]1(O)CC[N@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000895704563 584685917 /nfs/dbraw/zinc/68/59/17/584685917.db2.gz XZOVFKASIOOUMA-CYBMUJFWSA-N 2 2 282.344 -0.404 20 0 CBADLP COC(=O)[C@@]1(O)CC[N@@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000895704563 584685919 /nfs/dbraw/zinc/68/59/19/584685919.db2.gz XZOVFKASIOOUMA-CYBMUJFWSA-N 2 2 282.344 -0.404 20 0 CBADLP Cn1ncnc1C1(O)C[NH+](CC2CC[NH+](C)CC2)C1 ZINC000896013442 584691291 /nfs/dbraw/zinc/69/12/91/584691291.db2.gz YZZVVALBUUMMAG-UHFFFAOYSA-N 2 2 265.361 -0.340 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)C2C[NH+]([C@@H]3CCOC3)C2)CCO1 ZINC000896042270 584691569 /nfs/dbraw/zinc/69/15/69/584691569.db2.gz GBLSRTQBFMBOJY-TZMCWYRMSA-N 2 2 297.399 -0.456 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)C2C[NH+]([C@@H]3CCOC3)C2)CCO1 ZINC000896042270 584691571 /nfs/dbraw/zinc/69/15/71/584691571.db2.gz GBLSRTQBFMBOJY-TZMCWYRMSA-N 2 2 297.399 -0.456 20 0 CBADLP C[C@H](NC(=O)C1C[NH+]([C@H]2CCOC2)C1)[C@H]1C[N@H+](C)CCO1 ZINC000897078235 584708336 /nfs/dbraw/zinc/70/83/36/584708336.db2.gz SPIFSJLFJZDVPM-FPMFFAJLSA-N 2 2 297.399 -0.458 20 0 CBADLP C[C@H](NC(=O)C1C[NH+]([C@H]2CCOC2)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000897078235 584708338 /nfs/dbraw/zinc/70/83/38/584708338.db2.gz SPIFSJLFJZDVPM-FPMFFAJLSA-N 2 2 297.399 -0.458 20 0 CBADLP C[C@H](NC(=O)C1C[NH+]([C@H]2CCOC2)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000897078237 584708534 /nfs/dbraw/zinc/70/85/34/584708534.db2.gz SPIFSJLFJZDVPM-UBHSHLNASA-N 2 2 297.399 -0.458 20 0 CBADLP C[C@H](NC(=O)C1C[NH+]([C@H]2CCOC2)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000897078237 584708537 /nfs/dbraw/zinc/70/85/37/584708537.db2.gz SPIFSJLFJZDVPM-UBHSHLNASA-N 2 2 297.399 -0.458 20 0 CBADLP COCC[N@@H+]1CC[C@@H]([NH2+]CCCc2nnnn2C)C1 ZINC000898039720 584729711 /nfs/dbraw/zinc/72/97/11/584729711.db2.gz DGZJLUKYNCKIBV-LLVKDONJSA-N 2 2 268.365 -0.547 20 0 CBADLP COCC[N@H+]1CC[C@@H]([NH2+]CCCc2nnnn2C)C1 ZINC000898039720 584729713 /nfs/dbraw/zinc/72/97/13/584729713.db2.gz DGZJLUKYNCKIBV-LLVKDONJSA-N 2 2 268.365 -0.547 20 0 CBADLP O=C(N[C@H]1CCC[N@@H+](CCF)C1)[C@H]1C[NH+]2CCN1CCC2 ZINC000898495884 584736603 /nfs/dbraw/zinc/73/66/03/584736603.db2.gz OOLFOMJKWNXREV-UONOGXRCSA-N 2 2 298.406 -0.074 20 0 CBADLP O=C(N[C@H]1CCC[N@H+](CCF)C1)[C@H]1C[NH+]2CCN1CCC2 ZINC000898495884 584736605 /nfs/dbraw/zinc/73/66/05/584736605.db2.gz OOLFOMJKWNXREV-UONOGXRCSA-N 2 2 298.406 -0.074 20 0 CBADLP O=C(N[C@H]1CCC[NH+](CCF)C1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000898495884 584736607 /nfs/dbraw/zinc/73/66/07/584736607.db2.gz OOLFOMJKWNXREV-UONOGXRCSA-N 2 2 298.406 -0.074 20 0 CBADLP O=C(N[C@H]1CCC[NH+](CCF)C1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000898495884 584736609 /nfs/dbraw/zinc/73/66/09/584736609.db2.gz OOLFOMJKWNXREV-UONOGXRCSA-N 2 2 298.406 -0.074 20 0 CBADLP C[C@@H]1[C@H](C(=O)N[C@@H](CO)c2c[nH+]cn2C)CC[N@@H+]1C ZINC000898891894 584744628 /nfs/dbraw/zinc/74/46/28/584744628.db2.gz LTJDMQDBMIAGQP-MXWKQRLJSA-N 2 2 266.345 -0.090 20 0 CBADLP C[C@@H]1[C@H](C(=O)N[C@@H](CO)c2c[nH+]cn2C)CC[N@H+]1C ZINC000898891894 584744630 /nfs/dbraw/zinc/74/46/30/584744630.db2.gz LTJDMQDBMIAGQP-MXWKQRLJSA-N 2 2 266.345 -0.090 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCC2(C1)OCCO2 ZINC000899056960 584748723 /nfs/dbraw/zinc/74/87/23/584748723.db2.gz LDNVKUWHIXOEMS-LBPRGKRZSA-N 2 2 283.372 -0.354 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCC2(C1)OCCO2 ZINC000899056960 584748725 /nfs/dbraw/zinc/74/87/25/584748725.db2.gz LDNVKUWHIXOEMS-LBPRGKRZSA-N 2 2 283.372 -0.354 20 0 CBADLP C[NH+]1CCC[C@H]1C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000899056960 584748728 /nfs/dbraw/zinc/74/87/28/584748728.db2.gz LDNVKUWHIXOEMS-LBPRGKRZSA-N 2 2 283.372 -0.354 20 0 CBADLP C[NH+]1CCC[C@H]1C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000899056960 584748730 /nfs/dbraw/zinc/74/87/30/584748730.db2.gz LDNVKUWHIXOEMS-LBPRGKRZSA-N 2 2 283.372 -0.354 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCNCC[NH2+]CC1 ZINC000899241534 584754294 /nfs/dbraw/zinc/75/42/94/584754294.db2.gz JWPJOWLHFSPLNT-LBPRGKRZSA-N 2 2 280.376 -0.524 20 0 CBADLP O=C(NCC[NH+]1CCOCC1)N1CCC[C@]12CC[NH2+]C2 ZINC000899248887 584754651 /nfs/dbraw/zinc/75/46/51/584754651.db2.gz RVIVEEFLOLIHKU-CQSZACIVSA-N 2 2 282.388 -0.144 20 0 CBADLP [NH3+]C[C@]12CC[C@@H]1CCN2C(=O)NCC[NH+]1CCOCC1 ZINC000899247815 584754659 /nfs/dbraw/zinc/75/46/59/584754659.db2.gz KSAPFUUJKCPOFE-TZMCWYRMSA-N 2 2 282.388 -0.159 20 0 CBADLP C[N@H+](CCO)CCNC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC000899737681 584777938 /nfs/dbraw/zinc/77/79/38/584777938.db2.gz OGTRTBABRDFEFD-CQSZACIVSA-N 2 2 299.415 -0.330 20 0 CBADLP C[N@@H+](CCO)CCNC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC000899737681 584777940 /nfs/dbraw/zinc/77/79/40/584777940.db2.gz OGTRTBABRDFEFD-CQSZACIVSA-N 2 2 299.415 -0.330 20 0 CBADLP C[NH+](CCO)CCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000899737681 584777941 /nfs/dbraw/zinc/77/79/41/584777941.db2.gz OGTRTBABRDFEFD-CQSZACIVSA-N 2 2 299.415 -0.330 20 0 CBADLP C[NH+](CCO)CCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000899737681 584777943 /nfs/dbraw/zinc/77/79/43/584777943.db2.gz OGTRTBABRDFEFD-CQSZACIVSA-N 2 2 299.415 -0.330 20 0 CBADLP C[C@H](CC(=O)NCC[N@H+](C)CCO)n1cc[nH+]c1 ZINC000899740817 584779569 /nfs/dbraw/zinc/77/95/69/584779569.db2.gz OJUPWSWRCFUAON-LLVKDONJSA-N 2 2 254.334 -0.126 20 0 CBADLP C[C@H](CC(=O)NCC[N@@H+](C)CCO)n1cc[nH+]c1 ZINC000899740817 584779571 /nfs/dbraw/zinc/77/95/71/584779571.db2.gz OJUPWSWRCFUAON-LLVKDONJSA-N 2 2 254.334 -0.126 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)CC1 ZINC000899907838 584783896 /nfs/dbraw/zinc/78/38/96/584783896.db2.gz NHDRSMPPIOBOCN-AAEUAGOBSA-N 2 2 255.362 -0.394 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)CC1 ZINC000899907838 584783898 /nfs/dbraw/zinc/78/38/98/584783898.db2.gz NHDRSMPPIOBOCN-AAEUAGOBSA-N 2 2 255.362 -0.394 20 0 CBADLP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000899957733 584786718 /nfs/dbraw/zinc/78/67/18/584786718.db2.gz BEZALSAZPVGLPV-SWLSCSKDSA-N 2 2 299.415 -0.332 20 0 CBADLP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000899957733 584786720 /nfs/dbraw/zinc/78/67/20/584786720.db2.gz BEZALSAZPVGLPV-SWLSCSKDSA-N 2 2 299.415 -0.332 20 0 CBADLP CC(C)[NH+]1CCN(C(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)CC1 ZINC000900134350 584791976 /nfs/dbraw/zinc/79/19/76/584791976.db2.gz FUIZAQACGJMRDK-JSGCOSHPSA-N 2 2 269.389 -0.006 20 0 CBADLP CC(C)[NH+]1CCN(C(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)CC1 ZINC000900134350 584791977 /nfs/dbraw/zinc/79/19/77/584791977.db2.gz FUIZAQACGJMRDK-JSGCOSHPSA-N 2 2 269.389 -0.006 20 0 CBADLP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCCn1cc[nH+]c1 ZINC000900193309 584794820 /nfs/dbraw/zinc/79/48/20/584794820.db2.gz GSWKGMAJYDDAMB-JQWIXIFHSA-N 2 2 252.318 -0.546 20 0 CBADLP C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCCn1cc[nH+]c1 ZINC000900193309 584794822 /nfs/dbraw/zinc/79/48/22/584794822.db2.gz GSWKGMAJYDDAMB-JQWIXIFHSA-N 2 2 252.318 -0.546 20 0 CBADLP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000900404442 584803423 /nfs/dbraw/zinc/80/34/23/584803423.db2.gz GOUTXLTYDPCHOP-TZMCWYRMSA-N 2 2 267.373 -0.252 20 0 CBADLP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000900404442 584803424 /nfs/dbraw/zinc/80/34/24/584803424.db2.gz GOUTXLTYDPCHOP-TZMCWYRMSA-N 2 2 267.373 -0.252 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000900442735 584804207 /nfs/dbraw/zinc/80/42/07/584804207.db2.gz RBGBHUPSJKTZMX-NWDGAFQWSA-N 2 2 264.329 -0.068 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000900442735 584804208 /nfs/dbraw/zinc/80/42/08/584804208.db2.gz RBGBHUPSJKTZMX-NWDGAFQWSA-N 2 2 264.329 -0.068 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000900442735 584804209 /nfs/dbraw/zinc/80/42/09/584804209.db2.gz RBGBHUPSJKTZMX-NWDGAFQWSA-N 2 2 264.329 -0.068 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000900442735 584804210 /nfs/dbraw/zinc/80/42/10/584804210.db2.gz RBGBHUPSJKTZMX-NWDGAFQWSA-N 2 2 264.329 -0.068 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000900442737 584804285 /nfs/dbraw/zinc/80/42/85/584804285.db2.gz RBGBHUPSJKTZMX-RYUDHWBXSA-N 2 2 264.329 -0.068 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000900442737 584804286 /nfs/dbraw/zinc/80/42/86/584804286.db2.gz RBGBHUPSJKTZMX-RYUDHWBXSA-N 2 2 264.329 -0.068 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000900442737 584804287 /nfs/dbraw/zinc/80/42/87/584804287.db2.gz RBGBHUPSJKTZMX-RYUDHWBXSA-N 2 2 264.329 -0.068 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000900442737 584804288 /nfs/dbraw/zinc/80/42/88/584804288.db2.gz RBGBHUPSJKTZMX-RYUDHWBXSA-N 2 2 264.329 -0.068 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000900518589 584809669 /nfs/dbraw/zinc/80/96/69/584809669.db2.gz QCHZEXLMJSHUGI-OAHLLOKOSA-N 2 2 299.415 -0.376 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000900518589 584809670 /nfs/dbraw/zinc/80/96/70/584809670.db2.gz QCHZEXLMJSHUGI-OAHLLOKOSA-N 2 2 299.415 -0.376 20 0 CBADLP COCC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]c[nH]2)C1 ZINC000900622849 584816786 /nfs/dbraw/zinc/81/67/86/584816786.db2.gz GQIHZPLPFCIQLT-SNVBAGLBSA-N 2 2 252.318 -0.211 20 0 CBADLP COCC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]c[nH]2)C1 ZINC000900622849 584816789 /nfs/dbraw/zinc/81/67/89/584816789.db2.gz GQIHZPLPFCIQLT-SNVBAGLBSA-N 2 2 252.318 -0.211 20 0 CBADLP COCC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000900622849 584816791 /nfs/dbraw/zinc/81/67/91/584816791.db2.gz GQIHZPLPFCIQLT-SNVBAGLBSA-N 2 2 252.318 -0.211 20 0 CBADLP COCC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000900622849 584816793 /nfs/dbraw/zinc/81/67/93/584816793.db2.gz GQIHZPLPFCIQLT-SNVBAGLBSA-N 2 2 252.318 -0.211 20 0 CBADLP CN(Cc1[nH]cc[nH+]1)C(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000900626365 584817313 /nfs/dbraw/zinc/81/73/13/584817313.db2.gz QESDEXLWCKUNMK-SKDRFNHKSA-N 2 2 252.318 -0.177 20 0 CBADLP CN(Cc1[nH]cc[nH+]1)C(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC000900626365 584817315 /nfs/dbraw/zinc/81/73/15/584817315.db2.gz QESDEXLWCKUNMK-SKDRFNHKSA-N 2 2 252.318 -0.177 20 0 CBADLP C[C@H](NC(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C)[C@H]1C[NH+](C)CCO1 ZINC000901140324 584851637 /nfs/dbraw/zinc/85/16/37/584851637.db2.gz WQVIKIZJXJBWKH-FMSGJZPZSA-N 2 2 285.388 -0.723 20 0 CBADLP C[C@H](NC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C)[C@H]1C[NH+](C)CCO1 ZINC000901140324 584851638 /nfs/dbraw/zinc/85/16/38/584851638.db2.gz WQVIKIZJXJBWKH-FMSGJZPZSA-N 2 2 285.388 -0.723 20 0 CBADLP C[C@H](NC(=O)[C@]1(C)C[C@H](O)C[NH+]1C)[C@H]1C[N@H+](C)CCO1 ZINC000901140324 584851640 /nfs/dbraw/zinc/85/16/40/584851640.db2.gz WQVIKIZJXJBWKH-FMSGJZPZSA-N 2 2 285.388 -0.723 20 0 CBADLP C[C@H](NC(=O)[C@]1(C)C[C@H](O)C[NH+]1C)[C@H]1C[N@@H+](C)CCO1 ZINC000901140324 584851641 /nfs/dbraw/zinc/85/16/41/584851641.db2.gz WQVIKIZJXJBWKH-FMSGJZPZSA-N 2 2 285.388 -0.723 20 0 CBADLP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000901148582 584852512 /nfs/dbraw/zinc/85/25/12/584852512.db2.gz SQGIDWLCFOBQHU-RULNRJAQSA-N 2 2 278.356 -0.162 20 0 CBADLP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000901148582 584852513 /nfs/dbraw/zinc/85/25/13/584852513.db2.gz SQGIDWLCFOBQHU-RULNRJAQSA-N 2 2 278.356 -0.162 20 0 CBADLP C/C(=C\C(=O)NC[C@@](C)(O)C[NH+](C)C)C[NH+]1CCOCC1 ZINC000901186287 584854143 /nfs/dbraw/zinc/85/41/43/584854143.db2.gz KPIGWXPOYUOPGF-BMQCOBNYSA-N 2 2 299.415 -0.306 20 0 CBADLP C[C@@H]1[C@H](C)N(C(=O)[C@@]2(C)C[C@@H](O)C[NH+]2C)CC[N@H+]1C ZINC000901309713 584859629 /nfs/dbraw/zinc/85/96/29/584859629.db2.gz WSPQRUYOBFZITG-GFQSEFKGSA-N 2 2 269.389 -0.008 20 0 CBADLP C[C@@H]1[C@H](C)N(C(=O)[C@@]2(C)C[C@@H](O)C[NH+]2C)CC[N@@H+]1C ZINC000901309713 584859631 /nfs/dbraw/zinc/85/96/31/584859631.db2.gz WSPQRUYOBFZITG-GFQSEFKGSA-N 2 2 269.389 -0.008 20 0 CBADLP C[C@@H]1[C@H](C)N(C(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)CC[NH+]1C ZINC000901309713 584859632 /nfs/dbraw/zinc/85/96/32/584859632.db2.gz WSPQRUYOBFZITG-GFQSEFKGSA-N 2 2 269.389 -0.008 20 0 CBADLP C[C@@H]1[C@H](C)N(C(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)CC[NH+]1C ZINC000901309713 584859633 /nfs/dbraw/zinc/85/96/33/584859633.db2.gz WSPQRUYOBFZITG-GFQSEFKGSA-N 2 2 269.389 -0.008 20 0 CBADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1N[C@@H]1C[NH2+]CC1(C)C ZINC000902444883 584876973 /nfs/dbraw/zinc/87/69/73/584876973.db2.gz OWBDJLVPBGHIPU-HBNTYKKESA-N 2 2 255.362 -0.132 20 0 CBADLP CCOC(=O)[C@H]1[NH2+]CC[C@H]1N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902462146 584877432 /nfs/dbraw/zinc/87/74/32/584877432.db2.gz UCSLDGOVWRPUIW-KQSJRHEJSA-N 2 2 253.346 -0.238 20 0 CBADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCCn1ccc(=O)[nH]c1=O ZINC000902522432 584878103 /nfs/dbraw/zinc/87/81/03/584878103.db2.gz WWGLKOOESBXUMQ-VXGBXAGGSA-N 2 2 296.371 -0.304 20 0 CBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CCO ZINC000902810927 584884815 /nfs/dbraw/zinc/88/48/15/584884815.db2.gz FCCDQZXSPWPKOE-UHFFFAOYSA-N 2 2 257.378 -0.147 20 0 CBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CCO ZINC000902810927 584884816 /nfs/dbraw/zinc/88/48/16/584884816.db2.gz FCCDQZXSPWPKOE-UHFFFAOYSA-N 2 2 257.378 -0.147 20 0 CBADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@]1(CO)COCCN1C ZINC000903282363 584889966 /nfs/dbraw/zinc/88/99/66/584889966.db2.gz SOSRBMARVJQFFV-SNPRPXQTSA-N 2 2 283.416 -0.248 20 0 CBADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@]1(CO)COCCN1C ZINC000903282363 584889967 /nfs/dbraw/zinc/88/99/67/584889967.db2.gz SOSRBMARVJQFFV-SNPRPXQTSA-N 2 2 283.416 -0.248 20 0 CBADLP COCCNC(=O)C[NH+]1CCN(C[C@H]2CCC[NH2+]2)CC1 ZINC000903440757 584890213 /nfs/dbraw/zinc/89/02/13/584890213.db2.gz BVJAQEWPIWJYMZ-CYBMUJFWSA-N 2 2 284.404 -0.881 20 0 CBADLP CNC(=O)NC[C@H]1C[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)CCO1 ZINC000903464428 584890844 /nfs/dbraw/zinc/89/08/44/584890844.db2.gz MXUHIKQXSRBTBO-WOPDTQHZSA-N 2 2 270.377 -0.528 20 0 CBADLP CNC(=O)NC[C@H]1C[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)CCO1 ZINC000903464428 584890845 /nfs/dbraw/zinc/89/08/45/584890845.db2.gz MXUHIKQXSRBTBO-WOPDTQHZSA-N 2 2 270.377 -0.528 20 0 CBADLP CC(=O)N1CCN(C(=O)C[NH2+][C@H]2CC[NH2+]C23CCC3)CC1 ZINC000903466109 584890990 /nfs/dbraw/zinc/89/09/90/584890990.db2.gz PRZMAZMMTIAFHF-ZDUSSCGKSA-N 2 2 294.399 -0.449 20 0 CBADLP CNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903464761 584891028 /nfs/dbraw/zinc/89/10/28/584891028.db2.gz BCCFUGPXMHIZNA-IUCAKERBSA-N 2 2 254.334 -0.295 20 0 CBADLP O=C1CNC(=O)N1CC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000903485179 584891277 /nfs/dbraw/zinc/89/12/77/584891277.db2.gz KMMNHUNEYJMXQS-JTQLQIEISA-N 2 2 266.345 -0.198 20 0 CBADLP COC(=O)CN(C)C(=O)CC[N@@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903557293 584893136 /nfs/dbraw/zinc/89/31/36/584893136.db2.gz MVCMZMUQESXANO-SNVBAGLBSA-N 2 2 271.361 -0.323 20 0 CBADLP COC(=O)CN(C)C(=O)CC[N@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903557293 584893137 /nfs/dbraw/zinc/89/31/37/584893137.db2.gz MVCMZMUQESXANO-SNVBAGLBSA-N 2 2 271.361 -0.323 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@@H+]2C[C@@H]([NH3+])C(C)(C)C2)CC1 ZINC000903556827 584893151 /nfs/dbraw/zinc/89/31/51/584893151.db2.gz GCBRZLCQYXRPNC-GFCCVEGCSA-N 3 2 268.405 -0.180 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@H+]2C[C@@H]([NH3+])C(C)(C)C2)CC1 ZINC000903556827 584893152 /nfs/dbraw/zinc/89/31/52/584893152.db2.gz GCBRZLCQYXRPNC-GFCCVEGCSA-N 3 2 268.405 -0.180 20 0 CBADLP C[NH+]1CCN(C(=O)CCN2C[C@@H]([NH3+])C(C)(C)C2)CC1 ZINC000903556827 584893153 /nfs/dbraw/zinc/89/31/53/584893153.db2.gz GCBRZLCQYXRPNC-GFCCVEGCSA-N 2 2 268.405 -0.180 20 0 CBADLP C[NH+](C)CCCS(=O)(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000903564070 584893316 /nfs/dbraw/zinc/89/33/16/584893316.db2.gz PHHFSPNBBMLLON-UHFFFAOYSA-N 3 2 292.449 -0.719 20 0 CBADLP [NH3+]C[C@H]1C[C@H](NS(=O)(=O)CCC[NH+]2CCOCC2)C1 ZINC000903569823 584893484 /nfs/dbraw/zinc/89/34/84/584893484.db2.gz QVOUKGJEKZDKBY-HAQNSBGRSA-N 2 2 291.417 -0.635 20 0 CBADLP COC[C@@H]1C[NH2+]CCN1S(=O)(=O)CC1([NH+](C)C)CC1 ZINC000903599263 584894523 /nfs/dbraw/zinc/89/45/23/584894523.db2.gz YLWFCGBRDPNVFD-NSHDSACASA-N 2 2 291.417 -0.669 20 0 CBADLP C[C@H]([NH3+])[C@@H]1C[N@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CCO1 ZINC000903717125 584895654 /nfs/dbraw/zinc/89/56/54/584895654.db2.gz HEILCSHVASTHON-CRWXNKLISA-N 3 2 269.389 -0.197 20 0 CBADLP C[C@H]([NH3+])[C@@H]1C[N@@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CCO1 ZINC000903717125 584895656 /nfs/dbraw/zinc/89/56/56/584895656.db2.gz HEILCSHVASTHON-CRWXNKLISA-N 3 2 269.389 -0.197 20 0 CBADLP CC(=O)NC[C@@H]1C[N@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CCO1 ZINC000903729212 584896177 /nfs/dbraw/zinc/89/61/77/584896177.db2.gz KUJCFOWMLHOABC-ZNMIVQPWSA-N 2 2 297.399 -0.408 20 0 CBADLP CC(=O)NC[C@@H]1C[N@@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CCO1 ZINC000903729212 584896178 /nfs/dbraw/zinc/89/61/78/584896178.db2.gz KUJCFOWMLHOABC-ZNMIVQPWSA-N 2 2 297.399 -0.408 20 0 CBADLP CC[C@@H]1C(=O)NCC[N@H+]1C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903730788 584896216 /nfs/dbraw/zinc/89/62/16/584896216.db2.gz ZHMAOPMYUCKZHP-OUCADQQQSA-N 2 2 267.373 -0.035 20 0 CBADLP CC[C@@H]1C(=O)NCC[N@@H+]1C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903730788 584896217 /nfs/dbraw/zinc/89/62/17/584896217.db2.gz ZHMAOPMYUCKZHP-OUCADQQQSA-N 2 2 267.373 -0.035 20 0 CBADLP [NH3+]C[C@@H]1C[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CCO1 ZINC000903744517 584896708 /nfs/dbraw/zinc/89/67/08/584896708.db2.gz UIPJIEZBYSCDEI-CHWSQXEVSA-N 3 2 269.389 -0.195 20 0 CBADLP [NH3+]C[C@@H]1C[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CCO1 ZINC000903744517 584896710 /nfs/dbraw/zinc/89/67/10/584896710.db2.gz UIPJIEZBYSCDEI-CHWSQXEVSA-N 3 2 269.389 -0.195 20 0 CBADLP [NH3+]C[C@@H]1C[N@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CCO1 ZINC000903743891 584896720 /nfs/dbraw/zinc/89/67/20/584896720.db2.gz OUQBXAOGANRQHF-JHJVBQTASA-N 3 2 255.362 -0.586 20 0 CBADLP [NH3+]C[C@@H]1C[N@@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CCO1 ZINC000903743891 584896722 /nfs/dbraw/zinc/89/67/22/584896722.db2.gz OUQBXAOGANRQHF-JHJVBQTASA-N 3 2 255.362 -0.586 20 0 CBADLP [NH3+]C[C@@H]1C[N@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CCO1 ZINC000903743893 584896833 /nfs/dbraw/zinc/89/68/33/584896833.db2.gz OUQBXAOGANRQHF-XQQFMLRXSA-N 3 2 255.362 -0.586 20 0 CBADLP [NH3+]C[C@@H]1C[N@@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CCO1 ZINC000903743893 584896835 /nfs/dbraw/zinc/89/68/35/584896835.db2.gz OUQBXAOGANRQHF-XQQFMLRXSA-N 3 2 255.362 -0.586 20 0 CBADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCN1CCCS1(=O)=O ZINC000903751570 584897322 /nfs/dbraw/zinc/89/73/22/584897322.db2.gz GSXCCBXHYYISMW-SNVBAGLBSA-N 2 2 263.407 -0.015 20 0 CBADLP CNC(=O)NC(=O)C[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903815655 584900857 /nfs/dbraw/zinc/90/08/57/584900857.db2.gz NPBBERMCJNMDEY-UHFFFAOYSA-N 2 2 284.360 -0.714 20 0 CBADLP CNC(=O)NC(=O)C[N@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903815655 584900859 /nfs/dbraw/zinc/90/08/59/584900859.db2.gz NPBBERMCJNMDEY-UHFFFAOYSA-N 2 2 284.360 -0.714 20 0 CBADLP CN1CC(=O)N(CC[N@@H+]2CC[C@@H]3CC[C@]32C[NH3+])C1=O ZINC000903865195 584902590 /nfs/dbraw/zinc/90/25/90/584902590.db2.gz YROQPYVQQYRNFA-GWCFXTLKSA-N 2 2 266.345 -0.306 20 0 CBADLP CN1CC(=O)N(CC[N@H+]2CC[C@@H]3CC[C@]32C[NH3+])C1=O ZINC000903865195 584902592 /nfs/dbraw/zinc/90/25/92/584902592.db2.gz YROQPYVQQYRNFA-GWCFXTLKSA-N 2 2 266.345 -0.306 20 0 CBADLP C[N@H+](CCN1CC[NH2+]CC1)C[C@H]([NH3+])CC(F)F ZINC000903873893 584902943 /nfs/dbraw/zinc/90/29/43/584902943.db2.gz NNSMPVSMUBUKIC-SNVBAGLBSA-N 3 2 250.337 -0.194 20 0 CBADLP C[N@@H+](CCN1CC[NH2+]CC1)C[C@H]([NH3+])CC(F)F ZINC000903873893 584902944 /nfs/dbraw/zinc/90/29/44/584902944.db2.gz NNSMPVSMUBUKIC-SNVBAGLBSA-N 3 2 250.337 -0.194 20 0 CBADLP CNC(=O)[C@H]1CCC[N@@H+]1Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903886037 584904110 /nfs/dbraw/zinc/90/41/10/584904110.db2.gz QTLBTUIJRRNUSS-WCQYABFASA-N 2 2 292.387 -0.087 20 0 CBADLP CNC(=O)[C@H]1CCC[N@H+]1Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903886037 584904111 /nfs/dbraw/zinc/90/41/11/584904111.db2.gz QTLBTUIJRRNUSS-WCQYABFASA-N 2 2 292.387 -0.087 20 0 CBADLP c1nnn([C@@H]2CCC[NH2+]C2)c1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000903906687 584904398 /nfs/dbraw/zinc/90/43/98/584904398.db2.gz XVLKWLUTYDAVBH-FRRDWIJNSA-N 3 2 276.388 -0.146 20 0 CBADLP c1nnn([C@@H]2CCC[NH2+]C2)c1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000903906687 584904399 /nfs/dbraw/zinc/90/43/99/584904399.db2.gz XVLKWLUTYDAVBH-FRRDWIJNSA-N 3 2 276.388 -0.146 20 0 CBADLP CC(C)[C@H](C(=O)N1CCC[N@@H+]([C@H](C)C(N)=O)CC1)[NH+](C)C ZINC000981894719 614188164 /nfs/dbraw/zinc/18/81/64/614188164.db2.gz HIOAMEVLLZRKCG-CHWSQXEVSA-N 2 2 298.431 -0.019 20 0 CBADLP CC(C)[C@H](C(=O)N1CCC[N@H+]([C@H](C)C(N)=O)CC1)[NH+](C)C ZINC000981894719 614188168 /nfs/dbraw/zinc/18/81/68/614188168.db2.gz HIOAMEVLLZRKCG-CHWSQXEVSA-N 2 2 298.431 -0.019 20 0 CBADLP CC1(C)C[N@H+](CC(N)=O)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000977471686 614615747 /nfs/dbraw/zinc/61/57/47/614615747.db2.gz FWJZOZHJBLJALF-LLVKDONJSA-N 2 2 294.399 -0.606 20 0 CBADLP CC1(C)C[N@@H+](CC(N)=O)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000977471686 614615751 /nfs/dbraw/zinc/61/57/51/614615751.db2.gz FWJZOZHJBLJALF-LLVKDONJSA-N 2 2 294.399 -0.606 20 0 CBADLP CC[NH+]1CC(N2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC2)C1 ZINC000941356889 615088057 /nfs/dbraw/zinc/08/80/57/615088057.db2.gz HMHANBYRCDEEOD-CQSZACIVSA-N 2 2 296.415 -0.835 20 0 CBADLP CC[NH+]1CC(N2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC2)C1 ZINC000941356889 615088058 /nfs/dbraw/zinc/08/80/58/615088058.db2.gz HMHANBYRCDEEOD-CQSZACIVSA-N 2 2 296.415 -0.835 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](C[C@H](C)OC)CC2)C1 ZINC000957721075 615169638 /nfs/dbraw/zinc/16/96/38/615169638.db2.gz VRBAZAOOZPLEGL-UONOGXRCSA-N 2 2 299.415 -0.114 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](C[C@H](C)OC)CC2)C1 ZINC000957721075 615169639 /nfs/dbraw/zinc/16/96/39/615169639.db2.gz VRBAZAOOZPLEGL-UONOGXRCSA-N 2 2 299.415 -0.114 20 0 CBADLP CC[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000958199407 615422912 /nfs/dbraw/zinc/42/29/12/615422912.db2.gz IFPDUYNLLHHGCA-MFKMUULPSA-N 2 2 296.371 -0.221 20 0 CBADLP CC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000958199407 615422914 /nfs/dbraw/zinc/42/29/14/615422914.db2.gz IFPDUYNLLHHGCA-MFKMUULPSA-N 2 2 296.371 -0.221 20 0 CBADLP C[NH+](C)C1(C(=O)N2CC[NH+](CCCO)CC2)CCC1 ZINC000948742237 615840762 /nfs/dbraw/zinc/84/07/62/615840762.db2.gz MISRMOKWMSMFHQ-UHFFFAOYSA-N 2 2 269.389 -0.003 20 0 CBADLP C[N@H+](CC(N)=O)[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000971862290 616053436 /nfs/dbraw/zinc/05/34/36/616053436.db2.gz YCZMNPGNLBBHBG-GFCCVEGCSA-N 2 2 294.399 -0.367 20 0 CBADLP C[N@@H+](CC(N)=O)[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000971862290 616053437 /nfs/dbraw/zinc/05/34/37/616053437.db2.gz YCZMNPGNLBBHBG-GFCCVEGCSA-N 2 2 294.399 -0.367 20 0 CBADLP C[N@H+](CC(N)=O)[C@@H]1CCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000972338164 616053519 /nfs/dbraw/zinc/05/35/19/616053519.db2.gz DTDNWQZZIUWWBX-GFCCVEGCSA-N 2 2 296.415 -0.264 20 0 CBADLP C[N@@H+](CC(N)=O)[C@@H]1CCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000972338164 616053520 /nfs/dbraw/zinc/05/35/20/616053520.db2.gz DTDNWQZZIUWWBX-GFCCVEGCSA-N 2 2 296.415 -0.264 20 0 CBADLP C[NH+](CC(N)=O)[C@@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000972338164 616053521 /nfs/dbraw/zinc/05/35/21/616053521.db2.gz DTDNWQZZIUWWBX-GFCCVEGCSA-N 2 2 296.415 -0.264 20 0 CBADLP C[NH+](CC(N)=O)[C@@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000972338164 616053522 /nfs/dbraw/zinc/05/35/22/616053522.db2.gz DTDNWQZZIUWWBX-GFCCVEGCSA-N 2 2 296.415 -0.264 20 0 CBADLP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC(N)=O)CC2(C)C)CC1 ZINC000974994611 616167368 /nfs/dbraw/zinc/16/73/68/616167368.db2.gz LBNKUEXZAAVWFF-GFCCVEGCSA-N 2 2 296.415 -0.360 20 0 CBADLP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC(N)=O)CC2(C)C)CC1 ZINC000974994611 616167369 /nfs/dbraw/zinc/16/73/69/616167369.db2.gz LBNKUEXZAAVWFF-GFCCVEGCSA-N 2 2 296.415 -0.360 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[NH+]([C@@H]2CCNC2=O)CC1 ZINC000980833299 616191613 /nfs/dbraw/zinc/19/16/13/616191613.db2.gz DSOBWFGWQNLNAP-CHWSQXEVSA-N 2 2 294.399 -0.497 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[NH+]([C@@H]2CCNC2=O)CC1 ZINC000980833299 616191614 /nfs/dbraw/zinc/19/16/14/616191614.db2.gz DSOBWFGWQNLNAP-CHWSQXEVSA-N 2 2 294.399 -0.497 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)N1CCC[N@@H+]([C@@H]2CCNC2=O)CC1 ZINC000980833299 616191615 /nfs/dbraw/zinc/19/16/15/616191615.db2.gz DSOBWFGWQNLNAP-CHWSQXEVSA-N 2 2 294.399 -0.497 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)N1CCC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC000980833299 616191616 /nfs/dbraw/zinc/19/16/16/616191616.db2.gz DSOBWFGWQNLNAP-CHWSQXEVSA-N 2 2 294.399 -0.497 20 0 CBADLP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CC(N)=O)CC2(C)C)C1 ZINC000977452047 616269436 /nfs/dbraw/zinc/26/94/36/616269436.db2.gz KGPKTIRAAINPIR-NWDGAFQWSA-N 2 2 296.415 -0.360 20 0 CBADLP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CC(N)=O)CC2(C)C)C1 ZINC000977452047 616269437 /nfs/dbraw/zinc/26/94/37/616269437.db2.gz KGPKTIRAAINPIR-NWDGAFQWSA-N 2 2 296.415 -0.360 20 0 CBADLP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@H+](CC(N)=O)CC2(C)C)C1 ZINC000977452047 616269438 /nfs/dbraw/zinc/26/94/38/616269438.db2.gz KGPKTIRAAINPIR-NWDGAFQWSA-N 2 2 296.415 -0.360 20 0 CBADLP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@@H+](CC(N)=O)CC2(C)C)C1 ZINC000977452047 616269439 /nfs/dbraw/zinc/26/94/39/616269439.db2.gz KGPKTIRAAINPIR-NWDGAFQWSA-N 2 2 296.415 -0.360 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000949840632 616363112 /nfs/dbraw/zinc/36/31/12/616363112.db2.gz IRARUGZUSVXODV-AWEZNQCLSA-N 2 2 299.415 -0.114 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000949840632 616363116 /nfs/dbraw/zinc/36/31/16/616363116.db2.gz IRARUGZUSVXODV-AWEZNQCLSA-N 2 2 299.415 -0.114 20 0 CBADLP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](Cc4cnon4)C[C@H]32)C1 ZINC000962582886 616380992 /nfs/dbraw/zinc/38/09/92/616380992.db2.gz BPXOKGRINHQHMF-FTYKPCCVSA-N 2 2 291.355 -0.432 20 0 CBADLP C[N@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](Cc4cnon4)C[C@H]32)C1 ZINC000962582886 616380994 /nfs/dbraw/zinc/38/09/94/616380994.db2.gz BPXOKGRINHQHMF-FTYKPCCVSA-N 2 2 291.355 -0.432 20 0 CBADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4cnon4)C[C@H]32)C1 ZINC000962582886 616380997 /nfs/dbraw/zinc/38/09/97/616380997.db2.gz BPXOKGRINHQHMF-FTYKPCCVSA-N 2 2 291.355 -0.432 20 0 CBADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4cnon4)C[C@H]32)C1 ZINC000962582886 616380999 /nfs/dbraw/zinc/38/09/99/616380999.db2.gz BPXOKGRINHQHMF-FTYKPCCVSA-N 2 2 291.355 -0.432 20 0 CBADLP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[NH+](CC(N)=O)CC2(C)C)C1 ZINC000977452045 616393517 /nfs/dbraw/zinc/39/35/17/616393517.db2.gz KGPKTIRAAINPIR-NEPJUHHUSA-N 2 2 296.415 -0.360 20 0 CBADLP C[N@H+]1CC[C@H](CC(=O)N[C@H]2C[NH+](CC(N)=O)CC2(C)C)C1 ZINC000977452045 616393522 /nfs/dbraw/zinc/39/35/22/616393522.db2.gz KGPKTIRAAINPIR-NEPJUHHUSA-N 2 2 296.415 -0.360 20 0 CBADLP C[NH+]1CC[C@H](CC(=O)N[C@H]2C[N@H+](CC(N)=O)CC2(C)C)C1 ZINC000977452045 616393527 /nfs/dbraw/zinc/39/35/27/616393527.db2.gz KGPKTIRAAINPIR-NEPJUHHUSA-N 2 2 296.415 -0.360 20 0 CBADLP C[NH+]1CC[C@H](CC(=O)N[C@H]2C[N@@H+](CC(N)=O)CC2(C)C)C1 ZINC000977452045 616393532 /nfs/dbraw/zinc/39/35/32/616393532.db2.gz KGPKTIRAAINPIR-NEPJUHHUSA-N 2 2 296.415 -0.360 20 0 CBADLP COCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH+]cn1C ZINC000962292048 616466465 /nfs/dbraw/zinc/46/64/65/616466465.db2.gz HJQKAOPJWMOTIK-IMRBUKKESA-N 2 2 278.356 -0.345 20 0 CBADLP COCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH+]cn1C ZINC000962292048 616466473 /nfs/dbraw/zinc/46/64/73/616466473.db2.gz HJQKAOPJWMOTIK-IMRBUKKESA-N 2 2 278.356 -0.345 20 0 CBADLP COCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1 ZINC000963016627 616467571 /nfs/dbraw/zinc/46/75/71/616467571.db2.gz JFVOHOHGBMMFQB-PJXYFTJBSA-N 2 2 264.329 -0.424 20 0 CBADLP COCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1 ZINC000963016627 616467573 /nfs/dbraw/zinc/46/75/73/616467573.db2.gz JFVOHOHGBMMFQB-PJXYFTJBSA-N 2 2 264.329 -0.424 20 0 CBADLP CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000970867922 616596748 /nfs/dbraw/zinc/59/67/48/616596748.db2.gz HYLJPQWIOPQKMW-GHMZBOCLSA-N 2 2 282.388 -0.879 20 0 CBADLP CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000970867922 616596751 /nfs/dbraw/zinc/59/67/51/616596751.db2.gz HYLJPQWIOPQKMW-GHMZBOCLSA-N 2 2 282.388 -0.879 20 0 CBADLP CNC(=O)C[N@@H+]1CCCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000981872612 616603410 /nfs/dbraw/zinc/60/34/10/616603410.db2.gz PBUGXNWVSNSHHR-UHFFFAOYSA-N 2 2 296.415 -0.392 20 0 CBADLP CNC(=O)C[N@H+]1CCCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000981872612 616603412 /nfs/dbraw/zinc/60/34/12/616603412.db2.gz PBUGXNWVSNSHHR-UHFFFAOYSA-N 2 2 296.415 -0.392 20 0 CBADLP CNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@H]2C)CC1 ZINC000981960230 616605688 /nfs/dbraw/zinc/60/56/88/616605688.db2.gz UIWRXQSERSWISI-OLZOCXBDSA-N 2 2 296.415 -0.536 20 0 CBADLP CNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@H]2C)CC1 ZINC000981960230 616605690 /nfs/dbraw/zinc/60/56/90/616605690.db2.gz UIWRXQSERSWISI-OLZOCXBDSA-N 2 2 296.415 -0.536 20 0 CBADLP CNC(=O)C[NH+]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000981960230 616605692 /nfs/dbraw/zinc/60/56/92/616605692.db2.gz UIWRXQSERSWISI-OLZOCXBDSA-N 2 2 296.415 -0.536 20 0 CBADLP CNC(=O)C[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000981960230 616605693 /nfs/dbraw/zinc/60/56/93/616605693.db2.gz UIWRXQSERSWISI-OLZOCXBDSA-N 2 2 296.415 -0.536 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000980840075 616786039 /nfs/dbraw/zinc/78/60/39/616786039.db2.gz RNHNXDYGNXMXTL-CHWSQXEVSA-N 2 2 296.415 -0.251 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000980840075 616786041 /nfs/dbraw/zinc/78/60/41/616786041.db2.gz RNHNXDYGNXMXTL-CHWSQXEVSA-N 2 2 296.415 -0.251 20 0 CBADLP CNC(=O)[C@@H](C)[NH+]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000980840075 616786047 /nfs/dbraw/zinc/78/60/47/616786047.db2.gz RNHNXDYGNXMXTL-CHWSQXEVSA-N 2 2 296.415 -0.251 20 0 CBADLP CNC(=O)[C@@H](C)[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000980840075 616786051 /nfs/dbraw/zinc/78/60/51/616786051.db2.gz RNHNXDYGNXMXTL-CHWSQXEVSA-N 2 2 296.415 -0.251 20 0 CBADLP COC[C@H](C)[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000980894278 617061976 /nfs/dbraw/zinc/06/19/76/617061976.db2.gz VJRPFTPBWXMDIU-UONOGXRCSA-N 2 2 299.415 -0.114 20 0 CBADLP COC[C@H](C)[N@H+]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000980894278 617061980 /nfs/dbraw/zinc/06/19/80/617061980.db2.gz VJRPFTPBWXMDIU-UONOGXRCSA-N 2 2 299.415 -0.114 20 0 CBADLP COC[C@H](C)[NH+]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000980894278 617061984 /nfs/dbraw/zinc/06/19/84/617061984.db2.gz VJRPFTPBWXMDIU-UONOGXRCSA-N 2 2 299.415 -0.114 20 0 CBADLP COC[C@H](C)[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000980894278 617061988 /nfs/dbraw/zinc/06/19/88/617061988.db2.gz VJRPFTPBWXMDIU-UONOGXRCSA-N 2 2 299.415 -0.114 20 0 CBADLP COC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1 ZINC000963014550 617073039 /nfs/dbraw/zinc/07/30/39/617073039.db2.gz GCVLDRXPICXALU-CIQGVGRVSA-N 2 2 278.356 -0.036 20 0 CBADLP COC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1 ZINC000963014550 617073043 /nfs/dbraw/zinc/07/30/43/617073043.db2.gz GCVLDRXPICXALU-CIQGVGRVSA-N 2 2 278.356 -0.036 20 0 CBADLP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](C[C@H]1C[NH2+]CCO1)CC2 ZINC000923450986 658285529 /nfs/dbraw/zinc/28/55/29/658285529.db2.gz IZTSONGPWNOJFQ-QWHCGFSZSA-N 3 2 269.389 -0.195 20 0 CBADLP C[C@H]1CCCN(S(=O)(=O)N2CC[NH2+]CC[NH2+]CC2)C1 ZINC000923690391 658397934 /nfs/dbraw/zinc/39/79/34/658397934.db2.gz IUDVBEKMLSXKQG-LBPRGKRZSA-N 2 2 290.433 -0.542 20 0 CBADLP O=S(=O)(N1CC[NH2+]CC1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000923624529 658358902 /nfs/dbraw/zinc/35/89/02/658358902.db2.gz JGHXGMUFBAQXJM-LLVKDONJSA-N 2 2 299.400 -0.261 20 0 CBADLP CC[N@@H+]1CC[C@@H](N2C(=O)N[C@@H](Cc3c[nH]c[nH+]3)C2=O)C1 ZINC000925321768 658824754 /nfs/dbraw/zinc/82/47/54/658824754.db2.gz NPSBLHDOCPDLKG-MNOVXSKESA-N 2 2 277.328 -0.033 20 0 CBADLP CC[N@H+]1CC[C@@H](N2C(=O)N[C@@H](Cc3c[nH]c[nH+]3)C2=O)C1 ZINC000925321768 658824755 /nfs/dbraw/zinc/82/47/55/658824755.db2.gz NPSBLHDOCPDLKG-MNOVXSKESA-N 2 2 277.328 -0.033 20 0 CBADLP CC[N@@H+]1CC[C@@H](N2C(=O)N[C@@H](Cc3c[nH+]c[nH]3)C2=O)C1 ZINC000925321768 658824759 /nfs/dbraw/zinc/82/47/59/658824759.db2.gz NPSBLHDOCPDLKG-MNOVXSKESA-N 2 2 277.328 -0.033 20 0 CBADLP CC[N@H+]1CC[C@@H](N2C(=O)N[C@@H](Cc3c[nH+]c[nH]3)C2=O)C1 ZINC000925321768 658824761 /nfs/dbraw/zinc/82/47/61/658824761.db2.gz NPSBLHDOCPDLKG-MNOVXSKESA-N 2 2 277.328 -0.033 20 0 CBADLP COC(=O)c1cn(CC[NH2+][C@@H]2CC[NH2+]C2(C)C)nn1 ZINC000925666232 658865024 /nfs/dbraw/zinc/86/50/24/658865024.db2.gz KEHJFYUUTQIZRT-SNVBAGLBSA-N 2 2 267.333 -0.205 20 0 CBADLP C[C@H]([NH2+]CC[C@@H]1CNCCS1(=O)=O)c1c[nH+]ccc1N ZINC000925789755 658871804 /nfs/dbraw/zinc/87/18/04/658871804.db2.gz XIZLONFNHWYFNV-WDEREUQCSA-N 2 2 298.412 -0.079 20 0 CBADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC[C@@H]1CNCCS1(=O)=O ZINC000925792252 658871868 /nfs/dbraw/zinc/87/18/68/658871868.db2.gz VKVSBOPOUPRYGN-TUAOUCFPSA-N 2 2 275.418 -0.507 20 0 CBADLP O=S1(=O)CCNC[C@H]1CC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925790007 658871958 /nfs/dbraw/zinc/87/19/58/658871958.db2.gz ZWKNPXQGMXULRI-VXGBXAGGSA-N 2 2 287.429 -0.363 20 0 CBADLP C[C@@H]([NH2+]CC[C@@H]1CNCCS1(=O)=O)[C@@H]1CCCC[NH2+]1 ZINC000925790040 658872178 /nfs/dbraw/zinc/87/21/78/658872178.db2.gz FGXWARPAEWGDJS-UPJWGTAASA-N 2 2 289.445 -0.117 20 0 CBADLP [NH3+]C1CCN(CC[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)CC1 ZINC000925817660 658873941 /nfs/dbraw/zinc/87/39/41/658873941.db2.gz UXJMLSCAFKQTMR-HUUCEWRRSA-N 3 2 282.432 -0.234 20 0 CBADLP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@H]1C(=O)NCC1(C)C ZINC000931655303 659502615 /nfs/dbraw/zinc/50/26/15/659502615.db2.gz PUJDDOAOYQRHRJ-MNOVXSKESA-N 2 2 257.378 -0.198 20 0 CBADLP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@H]1C(=O)NCC1(C)C ZINC000931655303 659502621 /nfs/dbraw/zinc/50/26/21/659502621.db2.gz PUJDDOAOYQRHRJ-MNOVXSKESA-N 2 2 257.378 -0.198 20 0 CBADLP C[NH+](C)CC1(O)CC[NH+](CC(=O)Nc2cnccn2)CC1 ZINC000931481354 659472180 /nfs/dbraw/zinc/47/21/80/659472180.db2.gz RAKHWWZNGAYFCE-UHFFFAOYSA-N 2 2 293.371 -0.196 20 0 CBADLP CC[NH+]1CCN(S(=O)(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000019428884 655996208 /nfs/dbraw/zinc/99/62/08/655996208.db2.gz MVPXXLTVUVGOPC-NSHDSACASA-N 2 2 261.391 -0.294 20 0 CBADLP C[C@H]1CN(C(=O)C[N@H+](C)C2CC[NH2+]CC2)CCO1 ZINC000036300327 656001572 /nfs/dbraw/zinc/00/15/72/656001572.db2.gz LREAGHOTTCUUGD-NSHDSACASA-N 2 2 255.362 -0.083 20 0 CBADLP C[C@H]1CN(C(=O)C[N@@H+](C)C2CC[NH2+]CC2)CCO1 ZINC000036300327 656001575 /nfs/dbraw/zinc/00/15/75/656001575.db2.gz LREAGHOTTCUUGD-NSHDSACASA-N 2 2 255.362 -0.083 20 0 CBADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)CNC(=O)C[NH3+] ZINC000037626591 656002952 /nfs/dbraw/zinc/00/29/52/656002952.db2.gz XUDJTDNOWDBCDN-SNVBAGLBSA-N 2 2 281.360 -0.511 20 0 CBADLP C[C@H]1CN(C(=O)C[N@@H+]2CCC[C@H](C[NH3+])C2)CCO1 ZINC000044529742 656010187 /nfs/dbraw/zinc/01/01/87/656010187.db2.gz XVBKGWZMPVGQBF-NWDGAFQWSA-N 2 2 255.362 -0.096 20 0 CBADLP C[C@H]1CN(C(=O)C[N@H+]2CCC[C@H](C[NH3+])C2)CCO1 ZINC000044529742 656010193 /nfs/dbraw/zinc/01/01/93/656010193.db2.gz XVBKGWZMPVGQBF-NWDGAFQWSA-N 2 2 255.362 -0.096 20 0 CBADLP COCC[C@@H]([NH3+])C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000052809655 656025047 /nfs/dbraw/zinc/02/50/47/656025047.db2.gz UFMXIMAOFNPXNN-LLVKDONJSA-N 2 2 273.377 -0.423 20 0 CBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1nc[nH]n1 ZINC000095040382 656062423 /nfs/dbraw/zinc/06/24/23/656062423.db2.gz HLSWIIZUDFAHGP-UHFFFAOYSA-N 2 2 280.376 -0.097 20 0 CBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1nc[nH]n1 ZINC000095040382 656062426 /nfs/dbraw/zinc/06/24/26/656062426.db2.gz HLSWIIZUDFAHGP-UHFFFAOYSA-N 2 2 280.376 -0.097 20 0 CBADLP C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1C[NH+](C)CCO1 ZINC000127122779 656068146 /nfs/dbraw/zinc/06/81/46/656068146.db2.gz DZFVTZXXIXITPT-GRYCIOLGSA-N 2 2 255.362 -0.084 20 0 CBADLP C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)[C@H]1C[NH+](C)CCO1 ZINC000127122779 656068149 /nfs/dbraw/zinc/06/81/49/656068149.db2.gz DZFVTZXXIXITPT-GRYCIOLGSA-N 2 2 255.362 -0.084 20 0 CBADLP C[C@@H](NC(=O)[C@@H]1CCC[NH+]1C)[C@H]1C[N@H+](C)CCO1 ZINC000127122779 656068153 /nfs/dbraw/zinc/06/81/53/656068153.db2.gz DZFVTZXXIXITPT-GRYCIOLGSA-N 2 2 255.362 -0.084 20 0 CBADLP C[C@@H](NC(=O)[C@@H]1CCC[NH+]1C)[C@H]1C[N@@H+](C)CCO1 ZINC000127122779 656068156 /nfs/dbraw/zinc/06/81/56/656068156.db2.gz DZFVTZXXIXITPT-GRYCIOLGSA-N 2 2 255.362 -0.084 20 0 CBADLP C[NH+](C)CC(=O)N1CC[NH+](CC[C@H]2CCOC2=O)CC1 ZINC000151312206 656069766 /nfs/dbraw/zinc/06/97/66/656069766.db2.gz AWNCTKVJIKAIQG-LBPRGKRZSA-N 2 2 283.372 -0.355 20 0 CBADLP Cc1nonc1C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000310890433 656144072 /nfs/dbraw/zinc/14/40/72/656144072.db2.gz XUTLWSNFCIOAMD-NSHDSACASA-N 2 2 251.334 -0.142 20 0 CBADLP Cc1nonc1C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000310890433 656144073 /nfs/dbraw/zinc/14/40/73/656144073.db2.gz XUTLWSNFCIOAMD-NSHDSACASA-N 2 2 251.334 -0.142 20 0 CBADLP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@](C)(C[NH3+])C2)CCO1 ZINC000311152092 656145593 /nfs/dbraw/zinc/14/55/93/656145593.db2.gz NLNUAPNRFAUDKZ-YPMHNXCESA-N 2 2 255.362 -0.096 20 0 CBADLP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@@](C)(C[NH3+])C2)CCO1 ZINC000311152092 656145595 /nfs/dbraw/zinc/14/55/95/656145595.db2.gz NLNUAPNRFAUDKZ-YPMHNXCESA-N 2 2 255.362 -0.096 20 0 CBADLP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@](C)(C[NH3+])C2)CCO1 ZINC000311152090 656145720 /nfs/dbraw/zinc/14/57/20/656145720.db2.gz NLNUAPNRFAUDKZ-DGCLKSJQSA-N 2 2 255.362 -0.096 20 0 CBADLP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@](C)(C[NH3+])C2)CCO1 ZINC000311152090 656145722 /nfs/dbraw/zinc/14/57/22/656145722.db2.gz NLNUAPNRFAUDKZ-DGCLKSJQSA-N 2 2 255.362 -0.096 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000312956863 656147496 /nfs/dbraw/zinc/14/74/96/656147496.db2.gz IUEYMKMPRLMNSW-ZNMIVQPWSA-N 3 2 285.432 -0.191 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000312956863 656147499 /nfs/dbraw/zinc/14/74/99/656147499.db2.gz IUEYMKMPRLMNSW-ZNMIVQPWSA-N 3 2 285.432 -0.191 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000312956863 656147501 /nfs/dbraw/zinc/14/75/01/656147501.db2.gz IUEYMKMPRLMNSW-ZNMIVQPWSA-N 3 2 285.432 -0.191 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000312956863 656147504 /nfs/dbraw/zinc/14/75/04/656147504.db2.gz IUEYMKMPRLMNSW-ZNMIVQPWSA-N 3 2 285.432 -0.191 20 0 CBADLP C[C@H](CNC(=O)CN1CC[NH2+]CC1=O)[NH+]1CCCCC1 ZINC000706673228 656188004 /nfs/dbraw/zinc/18/80/04/656188004.db2.gz HQQPQUJOUIVUPO-GFCCVEGCSA-N 2 2 282.388 -0.591 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CCC[C@@H]([NH2+]CCO)C1 ZINC000708535102 656193458 /nfs/dbraw/zinc/19/34/58/656193458.db2.gz NAZHNJPIFMTIBB-LLVKDONJSA-N 2 2 252.318 -0.544 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000712304339 656210385 /nfs/dbraw/zinc/21/03/85/656210385.db2.gz PPSYOLCZSPNBMF-DGAVXFQQSA-N 2 2 272.389 -0.372 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000712304339 656210390 /nfs/dbraw/zinc/21/03/90/656210390.db2.gz PPSYOLCZSPNBMF-DGAVXFQQSA-N 2 2 272.389 -0.372 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000712304339 656210393 /nfs/dbraw/zinc/21/03/93/656210393.db2.gz PPSYOLCZSPNBMF-DGAVXFQQSA-N 2 2 272.389 -0.372 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000712304339 656210397 /nfs/dbraw/zinc/21/03/97/656210397.db2.gz PPSYOLCZSPNBMF-DGAVXFQQSA-N 2 2 272.389 -0.372 20 0 CBADLP [NH3+]C[C@H]1C[N@H+](CCn2cnnn2)C[C@H]1C(F)(F)F ZINC000712553663 656210552 /nfs/dbraw/zinc/21/05/52/656210552.db2.gz YSXPLNGZFYYOKG-JGVFFNPUSA-N 2 2 264.255 -0.258 20 0 CBADLP [NH3+]C[C@H]1C[N@@H+](CCn2cnnn2)C[C@H]1C(F)(F)F ZINC000712553663 656210554 /nfs/dbraw/zinc/21/05/54/656210554.db2.gz YSXPLNGZFYYOKG-JGVFFNPUSA-N 2 2 264.255 -0.258 20 0 CBADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H]1C[C@H](S(C)(=O)=O)C1 ZINC000714251685 656214989 /nfs/dbraw/zinc/21/49/89/656214989.db2.gz XTIHEUQUQAKJQW-BJDJZHNGSA-N 2 2 276.402 -0.081 20 0 CBADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1C[C@H](S(C)(=O)=O)C1 ZINC000714251686 656215101 /nfs/dbraw/zinc/21/51/01/656215101.db2.gz XTIHEUQUQAKJQW-DDHJBXDOSA-N 2 2 276.402 -0.081 20 0 CBADLP C[N@@H+]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@@H](CO)C1 ZINC000715878712 656220837 /nfs/dbraw/zinc/22/08/37/656220837.db2.gz WVFFOSFRRJIYAB-LLVKDONJSA-N 2 2 253.346 -0.783 20 0 CBADLP C[N@H+]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@@H](CO)C1 ZINC000715878712 656220841 /nfs/dbraw/zinc/22/08/41/656220841.db2.gz WVFFOSFRRJIYAB-LLVKDONJSA-N 2 2 253.346 -0.783 20 0 CBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]([NH3+])CC1CC1 ZINC000884426990 656253117 /nfs/dbraw/zinc/25/31/17/656253117.db2.gz ABWRPUBZTQYGQJ-STQMWFEESA-N 2 2 285.388 -0.735 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884638636 656253511 /nfs/dbraw/zinc/25/35/11/656253511.db2.gz DSEFBASDDXJSGK-SDDRHHMPSA-N 2 2 291.355 -0.649 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000884638681 656253627 /nfs/dbraw/zinc/25/36/27/656253627.db2.gz FUTKCFFPEIGJBQ-VWYCJHECSA-N 2 2 279.344 -0.664 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000889757169 656269078 /nfs/dbraw/zinc/26/90/78/656269078.db2.gz SOCFMWMJARPPRD-QWHCGFSZSA-N 2 2 278.356 -0.059 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889757169 656269080 /nfs/dbraw/zinc/26/90/80/656269080.db2.gz SOCFMWMJARPPRD-QWHCGFSZSA-N 2 2 278.356 -0.059 20 0 CBADLP CON(C)C(=O)C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000895045661 656277779 /nfs/dbraw/zinc/27/77/79/656277779.db2.gz RZAKPFKKMBPHIN-LBPRGKRZSA-N 2 2 271.361 -0.151 20 0 CBADLP CN(C(=O)CO)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000896629670 656290695 /nfs/dbraw/zinc/29/06/95/656290695.db2.gz HMZIGZHZMFSWIY-GFCCVEGCSA-N 2 2 255.362 -0.394 20 0 CBADLP CN(C(=O)CO)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000896629670 656290699 /nfs/dbraw/zinc/29/06/99/656290699.db2.gz HMZIGZHZMFSWIY-GFCCVEGCSA-N 2 2 255.362 -0.394 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@]2(C)C[C@H](O)C[NH+]2C)CC[N@@H+]1C ZINC000900846588 656313517 /nfs/dbraw/zinc/31/35/17/656313517.db2.gz IGIFQSWEZRGSTH-NTZNESFSSA-N 2 2 255.362 -0.396 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@]2(C)C[C@H](O)C[NH+]2C)CC[N@H+]1C ZINC000900846588 656313521 /nfs/dbraw/zinc/31/35/21/656313521.db2.gz IGIFQSWEZRGSTH-NTZNESFSSA-N 2 2 255.362 -0.396 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)CC[NH+]1C ZINC000900846588 656313523 /nfs/dbraw/zinc/31/35/23/656313523.db2.gz IGIFQSWEZRGSTH-NTZNESFSSA-N 2 2 255.362 -0.396 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)CC[NH+]1C ZINC000900846588 656313528 /nfs/dbraw/zinc/31/35/28/656313528.db2.gz IGIFQSWEZRGSTH-NTZNESFSSA-N 2 2 255.362 -0.396 20 0 CBADLP c1nnnn1CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903506002 656321984 /nfs/dbraw/zinc/32/19/84/656321984.db2.gz LOMKRGYQOVVUDB-OKILXGFUSA-N 2 2 291.403 -0.426 20 0 CBADLP c1nnnn1CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903506002 656321987 /nfs/dbraw/zinc/32/19/87/656321987.db2.gz LOMKRGYQOVVUDB-OKILXGFUSA-N 2 2 291.403 -0.426 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)NCCN2CCOCC2)CC1 ZINC000905004777 656332343 /nfs/dbraw/zinc/33/23/43/656332343.db2.gz RGHJCGGIBHSRSE-UHFFFAOYSA-N 2 2 299.419 -0.959 20 0 CBADLP O[C@@H](C[NH2+][C@H]1CC[N@H+](CC2CC2)C1)C1(O)CCOCC1 ZINC000905100390 656339025 /nfs/dbraw/zinc/33/90/25/656339025.db2.gz DRCHZLFBRVBVLL-KBPBESRZSA-N 2 2 284.400 -0.037 20 0 CBADLP O[C@@H](C[NH2+][C@H]1CC[N@@H+](CC2CC2)C1)C1(O)CCOCC1 ZINC000905100390 656339029 /nfs/dbraw/zinc/33/90/29/656339029.db2.gz DRCHZLFBRVBVLL-KBPBESRZSA-N 2 2 284.400 -0.037 20 0 CBADLP O=S(=O)(CCC[NH+]1CCOCC1)NC1CC[NH2+]CC1 ZINC000905330598 656349474 /nfs/dbraw/zinc/34/94/74/656349474.db2.gz UZAFHORGHIMMCG-UHFFFAOYSA-N 2 2 291.417 -0.620 20 0 CBADLP [NH3+][C@H](CNS(=O)(=O)CCC[NH+]1CCOCC1)C1CC1 ZINC000905341932 656349877 /nfs/dbraw/zinc/34/98/77/656349877.db2.gz FUWBNPAQCUQBIT-GFCCVEGCSA-N 2 2 291.417 -0.635 20 0 CBADLP C[C@H]([NH3+])C[C@H](C)NS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000905346518 656351228 /nfs/dbraw/zinc/35/12/28/656351228.db2.gz UUJHNFVKNNSVFF-RYUDHWBXSA-N 2 2 293.433 -0.246 20 0 CBADLP C[C@H](O)C[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000905448042 656357387 /nfs/dbraw/zinc/35/73/87/656357387.db2.gz WZDROVNQQAFMKY-KBPBESRZSA-N 2 2 271.405 -0.247 20 0 CBADLP C[C@@H]([NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC1(C)C)C(N)=O ZINC000996458264 656413569 /nfs/dbraw/zinc/41/35/69/656413569.db2.gz SWUOTWYGXIMAKD-NXEZZACHSA-N 2 2 293.371 -0.347 20 0 CBADLP C[C@H]([NH2+]C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1)C(N)=O ZINC000997121306 656467552 /nfs/dbraw/zinc/46/75/52/656467552.db2.gz VVPAHHFDGMCLSW-VIFPVBQESA-N 2 2 279.344 -0.593 20 0 CBADLP CC(C)[NH+]1CC(NC(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)C1 ZINC000907519439 656519594 /nfs/dbraw/zinc/51/95/94/656519594.db2.gz JOIMKROAEXIXNJ-WCQYABFASA-N 2 2 255.362 -0.350 20 0 CBADLP CC(C)[NH+]1CC(NC(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)C1 ZINC000907519439 656519600 /nfs/dbraw/zinc/51/96/00/656519600.db2.gz JOIMKROAEXIXNJ-WCQYABFASA-N 2 2 255.362 -0.350 20 0 CBADLP C[NH+](C)C[C@]1(O)CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000907782573 656576157 /nfs/dbraw/zinc/57/61/57/656576157.db2.gz MNNVRUKQKGMVGB-CYBMUJFWSA-N 2 2 266.345 -0.133 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)N1CCC[C@@H]([NH2+]CCO)C1 ZINC000999323650 656621200 /nfs/dbraw/zinc/62/12/00/656621200.db2.gz RMSKCEXXTPEKDF-GFCCVEGCSA-N 2 2 266.345 -0.085 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)N1CCC[C@@H]([NH2+]CCO)C1 ZINC000999323650 656621204 /nfs/dbraw/zinc/62/12/04/656621204.db2.gz RMSKCEXXTPEKDF-GFCCVEGCSA-N 2 2 266.345 -0.085 20 0 CBADLP NC(=O)C[NH2+][C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000999317748 656621217 /nfs/dbraw/zinc/62/12/17/656621217.db2.gz PLJZYJUIAVGIOX-LLVKDONJSA-N 2 2 279.344 -0.592 20 0 CBADLP NC(=O)C[NH2+][C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000999317748 656621221 /nfs/dbraw/zinc/62/12/21/656621221.db2.gz PLJZYJUIAVGIOX-LLVKDONJSA-N 2 2 279.344 -0.592 20 0 CBADLP C[C@H]([NH2+][C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1)C(N)=O ZINC000999320516 656621358 /nfs/dbraw/zinc/62/13/58/656621358.db2.gz AAEPYTAUQHPITQ-CMPLNLGQSA-N 2 2 293.371 -0.203 20 0 CBADLP C[C@H]([NH2+][C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1)C(N)=O ZINC000999320516 656621363 /nfs/dbraw/zinc/62/13/63/656621363.db2.gz AAEPYTAUQHPITQ-CMPLNLGQSA-N 2 2 293.371 -0.203 20 0 CBADLP C[C@H]([NH2+]C1CC(N(C)C(=O)Cc2c[nH+]c[nH]2)C1)C(N)=O ZINC000999469445 656631315 /nfs/dbraw/zinc/63/13/15/656631315.db2.gz OOYAPJVUORZGBH-SILCLGDVSA-N 2 2 279.344 -0.595 20 0 CBADLP C[C@@H](O)C[NH2+]C1CC(N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC000999690484 656644803 /nfs/dbraw/zinc/64/48/03/656644803.db2.gz ZECUPKIDEXMPED-VOMCLLRMSA-N 2 2 280.372 -0.078 20 0 CBADLP C/C(=C/C(=O)N[C@@H](CO)C[NH+](C)C)C[NH+]1CCOCC1 ZINC000908199002 656663663 /nfs/dbraw/zinc/66/36/63/656663663.db2.gz BJDOLTGHBFGTRX-LLBKUYECSA-N 2 2 285.388 -0.696 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC000908203279 656668873 /nfs/dbraw/zinc/66/88/73/656668873.db2.gz MGEVTFLLCFAUCD-NSHDSACASA-N 2 2 266.345 -0.166 20 0 CBADLP C[C@H](O)C[NH2+]C1CC(N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC000999916231 656669715 /nfs/dbraw/zinc/66/97/15/656669715.db2.gz OXKIVPMRQLJSHZ-UNXYVOJBSA-N 2 2 266.345 -0.157 20 0 CBADLP C[C@H]([NH2+][C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1)C(N)=O ZINC001000314558 656711157 /nfs/dbraw/zinc/71/11/57/656711157.db2.gz YPFFFNGFQBYMDB-VHSXEESVSA-N 2 2 279.344 -0.593 20 0 CBADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H]([NH2+]CC(N)=O)C1 ZINC001000425379 656715969 /nfs/dbraw/zinc/71/59/69/656715969.db2.gz HJPDGCPNASPXOP-WDEREUQCSA-N 2 2 293.371 -0.346 20 0 CBADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H]([NH2+]CC(N)=O)C1 ZINC001000425379 656715981 /nfs/dbraw/zinc/71/59/81/656715981.db2.gz HJPDGCPNASPXOP-WDEREUQCSA-N 2 2 293.371 -0.346 20 0 CBADLP C[C@H]([NH2+][C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1)C(N)=O ZINC001000545509 656734184 /nfs/dbraw/zinc/73/41/84/656734184.db2.gz NEPVOCLWQYGAJF-UWVGGRQHSA-N 2 2 279.344 -0.593 20 0 CBADLP NC(=O)C[NH2+][C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001000556781 656736478 /nfs/dbraw/zinc/73/64/78/656736478.db2.gz DHBOERKVMXLKHQ-VIFPVBQESA-N 2 2 265.317 -0.982 20 0 CBADLP C[NH+](C)CCn1nccc1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000908758946 656758811 /nfs/dbraw/zinc/75/88/11/656758811.db2.gz UEMIKHSLPVTMEX-NSHDSACASA-N 2 2 288.355 -0.004 20 0 CBADLP C[C@H]([NH2+][C@@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1)C(N)=O ZINC001000691840 656759229 /nfs/dbraw/zinc/75/92/29/656759229.db2.gz APUSQEHMWHIOJC-WDEREUQCSA-N 2 2 293.371 -0.583 20 0 CBADLP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCC[NH+]1CCC(O)CC1 ZINC000909272565 656804349 /nfs/dbraw/zinc/80/43/49/656804349.db2.gz LDQYDOVWFSPRNL-JSGCOSHPSA-N 2 2 285.388 -0.986 20 0 CBADLP C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCC[NH+]1CCC(O)CC1 ZINC000909272565 656804351 /nfs/dbraw/zinc/80/43/51/656804351.db2.gz LDQYDOVWFSPRNL-JSGCOSHPSA-N 2 2 285.388 -0.986 20 0 CBADLP Cn1c[nH+]c(CCNC(=O)C[C@@]2(O)CCC[N@H+](C)C2)c1 ZINC000909855110 656832940 /nfs/dbraw/zinc/83/29/40/656832940.db2.gz BVETXMHWYNHUQS-AWEZNQCLSA-N 2 2 280.372 -0.074 20 0 CBADLP Cn1c[nH+]c(CCNC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)c1 ZINC000909855110 656832944 /nfs/dbraw/zinc/83/29/44/656832944.db2.gz BVETXMHWYNHUQS-AWEZNQCLSA-N 2 2 280.372 -0.074 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NC1CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC001003318953 656854901 /nfs/dbraw/zinc/85/49/01/656854901.db2.gz OMLOEPLQLSZPHC-NSHDSACASA-N 2 2 293.371 -0.354 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC1CC[NH+](CCO)CC1 ZINC001004054753 656879809 /nfs/dbraw/zinc/87/98/09/656879809.db2.gz ABCMSPQDBUNKGA-UHFFFAOYSA-N 2 2 266.345 -0.166 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC1CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC001004146477 656881706 /nfs/dbraw/zinc/88/17/06/656881706.db2.gz UJYOSYYKBJDFBC-JTQLQIEISA-N 2 2 293.371 -0.354 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001004257080 656883338 /nfs/dbraw/zinc/88/33/38/656883338.db2.gz IHHLPJRAMSKOTL-LBPRGKRZSA-N 2 2 291.355 -0.648 20 0 CBADLP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC000910929806 656906144 /nfs/dbraw/zinc/90/61/44/656906144.db2.gz ZGSKCJCPSKGBSZ-GHMZBOCLSA-N 2 2 266.345 -0.134 20 0 CBADLP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC000910929806 656906170 /nfs/dbraw/zinc/90/61/70/656906170.db2.gz ZGSKCJCPSKGBSZ-GHMZBOCLSA-N 2 2 266.345 -0.134 20 0 CBADLP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NCCCCn1cc[nH+]c1 ZINC000910969766 656913694 /nfs/dbraw/zinc/91/36/94/656913694.db2.gz GVNHRFSFEVRDBQ-VXGBXAGGSA-N 2 2 293.371 -0.496 20 0 CBADLP CC1(C)CN(C(=O)C(=O)NCCn2cc[nH+]c2)C[C@@H]1[NH3+] ZINC000910985931 656922244 /nfs/dbraw/zinc/92/22/44/656922244.db2.gz FTLRVVQYAKAQMV-JTQLQIEISA-N 2 2 279.344 -0.805 20 0 CBADLP O=C(NCCn1cc[nH+]c1)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC000910986589 656923372 /nfs/dbraw/zinc/92/33/72/656923372.db2.gz KHKYMCDYXUMPQJ-GFCCVEGCSA-N 2 2 293.371 -0.352 20 0 CBADLP CC1(C)C[NH2+]C[C@@H]1NC(=O)C(=O)NCCn1cc[nH+]c1 ZINC000910988885 656925748 /nfs/dbraw/zinc/92/57/48/656925748.db2.gz VGHLALCRYVGPBP-JTQLQIEISA-N 2 2 279.344 -0.887 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CCC(N(C)C(=O)Cn2cc[nH+]c2)CC1 ZINC001006472102 656947021 /nfs/dbraw/zinc/94/70/21/656947021.db2.gz CQCNNUWDADNBHT-NSHDSACASA-N 2 2 293.371 -0.320 20 0 CBADLP Cc1cccc(NCCNC(=O)C(=O)N2CC[NH2+]CC2)[nH+]1 ZINC000911477378 657052465 /nfs/dbraw/zinc/05/24/65/657052465.db2.gz BBKXNTDUTRLHFP-UHFFFAOYSA-N 2 2 291.355 -0.650 20 0 CBADLP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCC[NH+](CC(N)=O)C2)C1 ZINC001009201489 657068696 /nfs/dbraw/zinc/06/86/96/657068696.db2.gz KTJUWTHQUYFASQ-VXGBXAGGSA-N 2 2 282.388 -0.606 20 0 CBADLP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCC[NH+](CC(N)=O)C2)C1 ZINC001009201489 657068701 /nfs/dbraw/zinc/06/87/01/657068701.db2.gz KTJUWTHQUYFASQ-VXGBXAGGSA-N 2 2 282.388 -0.606 20 0 CBADLP C[NH+]1CC[C@H](CC(=O)N[C@@H]2CCC[N@H+](CC(N)=O)C2)C1 ZINC001009201489 657068705 /nfs/dbraw/zinc/06/87/05/657068705.db2.gz KTJUWTHQUYFASQ-VXGBXAGGSA-N 2 2 282.388 -0.606 20 0 CBADLP C[NH+]1CC[C@H](CC(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)C2)C1 ZINC001009201489 657068709 /nfs/dbraw/zinc/06/87/09/657068709.db2.gz KTJUWTHQUYFASQ-VXGBXAGGSA-N 2 2 282.388 -0.606 20 0 CBADLP C[C@@H](O)C[N@@H+]1CCC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001009205592 657069365 /nfs/dbraw/zinc/06/93/65/657069365.db2.gz BFARKQIEFGDXHG-VXGBXAGGSA-N 2 2 280.372 -0.076 20 0 CBADLP C[C@@H](O)C[N@H+]1CCC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001009205592 657069371 /nfs/dbraw/zinc/06/93/71/657069371.db2.gz BFARKQIEFGDXHG-VXGBXAGGSA-N 2 2 280.372 -0.076 20 0 CBADLP O=C(N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000911542215 657073732 /nfs/dbraw/zinc/07/37/32/657073732.db2.gz NDTFKOPFDLCKKO-CYZMBNFOSA-N 2 2 292.383 -0.698 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001009535984 657078397 /nfs/dbraw/zinc/07/83/97/657078397.db2.gz IFQBWBCPFHFEKN-QWHCGFSZSA-N 2 2 296.415 -0.073 20 0 CBADLP CC[C@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001009535984 657078408 /nfs/dbraw/zinc/07/84/08/657078408.db2.gz IFQBWBCPFHFEKN-QWHCGFSZSA-N 2 2 296.415 -0.073 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001009535979 657078564 /nfs/dbraw/zinc/07/85/64/657078564.db2.gz IFQBWBCPFHFEKN-OLZOCXBDSA-N 2 2 296.415 -0.073 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001009535979 657078571 /nfs/dbraw/zinc/07/85/71/657078571.db2.gz IFQBWBCPFHFEKN-OLZOCXBDSA-N 2 2 296.415 -0.073 20 0 CBADLP C[C@H]([NH3+])[C@H]1CN(C(=O)C[C@H]([NH3+])C(F)F)CCO1 ZINC000911885615 657158153 /nfs/dbraw/zinc/15/81/53/657158153.db2.gz YNSMDPZWRHVIAN-BIIVOSGPSA-N 2 2 251.277 -0.457 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC(=O)N2CCC2)C1 ZINC001010370253 657164628 /nfs/dbraw/zinc/16/46/28/657164628.db2.gz UYOAHEHKMOLGLJ-OLZOCXBDSA-N 2 2 294.399 -0.497 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC(=O)N2CCC2)C1 ZINC001010370253 657164629 /nfs/dbraw/zinc/16/46/29/657164629.db2.gz UYOAHEHKMOLGLJ-OLZOCXBDSA-N 2 2 294.399 -0.497 20 0 CBADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001010370253 657164635 /nfs/dbraw/zinc/16/46/35/657164635.db2.gz UYOAHEHKMOLGLJ-OLZOCXBDSA-N 2 2 294.399 -0.497 20 0 CBADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001010370253 657164644 /nfs/dbraw/zinc/16/46/44/657164644.db2.gz UYOAHEHKMOLGLJ-OLZOCXBDSA-N 2 2 294.399 -0.497 20 0 CBADLP CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001010370374 657165394 /nfs/dbraw/zinc/16/53/94/657165394.db2.gz VYSQSMYAJQHISO-RYUDHWBXSA-N 2 2 282.388 -0.641 20 0 CBADLP CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001010370374 657165403 /nfs/dbraw/zinc/16/54/03/657165403.db2.gz VYSQSMYAJQHISO-RYUDHWBXSA-N 2 2 282.388 -0.641 20 0 CBADLP CN(C)C(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001010370374 657165409 /nfs/dbraw/zinc/16/54/09/657165409.db2.gz VYSQSMYAJQHISO-RYUDHWBXSA-N 2 2 282.388 -0.641 20 0 CBADLP CN(C)C(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001010370374 657165414 /nfs/dbraw/zinc/16/54/14/657165414.db2.gz VYSQSMYAJQHISO-RYUDHWBXSA-N 2 2 282.388 -0.641 20 0 CBADLP COC(=O)CC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000912387022 657247059 /nfs/dbraw/zinc/24/70/59/657247059.db2.gz MYBJOHOUMMBBHK-UHFFFAOYSA-N 2 2 259.350 -0.451 20 0 CBADLP COC(=O)CC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000912387022 657247068 /nfs/dbraw/zinc/24/70/68/657247068.db2.gz MYBJOHOUMMBBHK-UHFFFAOYSA-N 2 2 259.350 -0.451 20 0 CBADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CC[N@@H+](C)C[C@@H]1CO)CC2 ZINC000912738811 657328973 /nfs/dbraw/zinc/32/89/73/657328973.db2.gz JVAJDQGXYZGQIV-GXTWGEPZSA-N 2 2 292.383 -0.111 20 0 CBADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CC[N@H+](C)C[C@@H]1CO)CC2 ZINC000912738811 657328978 /nfs/dbraw/zinc/32/89/78/657328978.db2.gz JVAJDQGXYZGQIV-GXTWGEPZSA-N 2 2 292.383 -0.111 20 0 CBADLP C[N@@H+]1CCN(C(=O)CCCC[NH+]2CCOCC2)[C@@H](CO)C1 ZINC000912739625 657330000 /nfs/dbraw/zinc/33/00/00/657330000.db2.gz CQSVPSSZXVWBAL-CQSZACIVSA-N 2 2 299.415 -0.376 20 0 CBADLP C[N@H+]1CCN(C(=O)CCCC[NH+]2CCOCC2)[C@@H](CO)C1 ZINC000912739625 657330006 /nfs/dbraw/zinc/33/00/06/657330006.db2.gz CQSVPSSZXVWBAL-CQSZACIVSA-N 2 2 299.415 -0.376 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000912741076 657333265 /nfs/dbraw/zinc/33/32/65/657333265.db2.gz KTPLQPREIMVVPW-OLZOCXBDSA-N 2 2 285.388 -0.910 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000912741076 657333269 /nfs/dbraw/zinc/33/32/69/657333269.db2.gz KTPLQPREIMVVPW-OLZOCXBDSA-N 2 2 285.388 -0.910 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH+]3CCC3)C2)C1 ZINC000912916150 657359316 /nfs/dbraw/zinc/35/93/16/657359316.db2.gz UPDAFCFTNMPRJM-NWDGAFQWSA-N 2 2 253.346 -0.376 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH+]3CCC3)C2)C1 ZINC000912916150 657359320 /nfs/dbraw/zinc/35/93/20/657359320.db2.gz UPDAFCFTNMPRJM-NWDGAFQWSA-N 2 2 253.346 -0.376 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001014456258 657361157 /nfs/dbraw/zinc/36/11/57/657361157.db2.gz NSYTUBPYMWBYKZ-QWHCGFSZSA-N 2 2 294.399 -0.735 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001014456258 657361163 /nfs/dbraw/zinc/36/11/63/657361163.db2.gz NSYTUBPYMWBYKZ-QWHCGFSZSA-N 2 2 294.399 -0.735 20 0 CBADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[NH+](CC(N)=O)C2)CC[N@@H+]1C ZINC001014475329 657363009 /nfs/dbraw/zinc/36/30/09/657363009.db2.gz LOYRTDBHWSOZEK-GMTAPVOTSA-N 2 2 268.361 -0.998 20 0 CBADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[NH+](CC(N)=O)C2)CC[N@H+]1C ZINC001014475329 657363019 /nfs/dbraw/zinc/36/30/19/657363019.db2.gz LOYRTDBHWSOZEK-GMTAPVOTSA-N 2 2 268.361 -0.998 20 0 CBADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)CC[NH+]1C ZINC001014475329 657363026 /nfs/dbraw/zinc/36/30/26/657363026.db2.gz LOYRTDBHWSOZEK-GMTAPVOTSA-N 2 2 268.361 -0.998 20 0 CBADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)CC[NH+]1C ZINC001014475329 657363032 /nfs/dbraw/zinc/36/30/32/657363032.db2.gz LOYRTDBHWSOZEK-GMTAPVOTSA-N 2 2 268.361 -0.998 20 0 CBADLP Cc1cn(C(C)(C)C(=O)NC[C@]2(CO)COCC[NH2+]2)c[nH+]1 ZINC000913180132 657395889 /nfs/dbraw/zinc/39/58/89/657395889.db2.gz VGGXARVTTOXDKQ-AWEZNQCLSA-N 2 2 296.371 -0.606 20 0 CBADLP O=C(N[C@H]1CC[N@@H+](CCO)C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001015012358 657397722 /nfs/dbraw/zinc/39/77/22/657397722.db2.gz CXLYTRPSHDNEDQ-NEPJUHHUSA-N 2 2 278.356 -0.372 20 0 CBADLP O=C(N[C@H]1CC[N@H+](CCO)C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001015012358 657397733 /nfs/dbraw/zinc/39/77/33/657397733.db2.gz CXLYTRPSHDNEDQ-NEPJUHHUSA-N 2 2 278.356 -0.372 20 0 CBADLP O=C(N[C@H]1CC[N@@H+](CCO)C1)[C@H]1CCc2c[nH+]cn2C1 ZINC001015012360 657397818 /nfs/dbraw/zinc/39/78/18/657397818.db2.gz CXLYTRPSHDNEDQ-RYUDHWBXSA-N 2 2 278.356 -0.372 20 0 CBADLP O=C(N[C@H]1CC[N@H+](CCO)C1)[C@H]1CCc2c[nH+]cn2C1 ZINC001015012360 657397822 /nfs/dbraw/zinc/39/78/22/657397822.db2.gz CXLYTRPSHDNEDQ-RYUDHWBXSA-N 2 2 278.356 -0.372 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001015296165 657432077 /nfs/dbraw/zinc/43/20/77/657432077.db2.gz VPXGQAZOSYCWBC-NEPJUHHUSA-N 2 2 291.355 -0.729 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001015296165 657432086 /nfs/dbraw/zinc/43/20/86/657432086.db2.gz VPXGQAZOSYCWBC-NEPJUHHUSA-N 2 2 291.355 -0.729 20 0 CBADLP O=C(N1CC[NH2+][C@@H](c2cn[nH]c2)C1)C12CC[NH+](CC1)C2 ZINC000913456278 657456867 /nfs/dbraw/zinc/45/68/67/657456867.db2.gz OVDJLSNDALYJKN-GFCCVEGCSA-N 2 2 275.356 -0.022 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001015605253 657472394 /nfs/dbraw/zinc/47/23/94/657472394.db2.gz JZARQDBHVKPRGZ-AVGNSLFASA-N 2 2 296.415 -0.347 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001015605253 657472408 /nfs/dbraw/zinc/47/24/08/657472408.db2.gz JZARQDBHVKPRGZ-AVGNSLFASA-N 2 2 296.415 -0.347 20 0 CBADLP CNC(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001015605253 657472423 /nfs/dbraw/zinc/47/24/23/657472423.db2.gz JZARQDBHVKPRGZ-AVGNSLFASA-N 2 2 296.415 -0.347 20 0 CBADLP CNC(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001015605253 657472430 /nfs/dbraw/zinc/47/24/30/657472430.db2.gz JZARQDBHVKPRGZ-AVGNSLFASA-N 2 2 296.415 -0.347 20 0 CBADLP CN(C[C@@H]1C[N@H+](C)CCO1)C(=O)C12CC[NH+](CC1)C2 ZINC000913506933 657483165 /nfs/dbraw/zinc/48/31/65/657483165.db2.gz JNVRFTGWTVKZED-LBPRGKRZSA-N 2 2 267.373 -0.129 20 0 CBADLP CN(C[C@@H]1C[N@@H+](C)CCO1)C(=O)C12CC[NH+](CC1)C2 ZINC000913506933 657483166 /nfs/dbraw/zinc/48/31/66/657483166.db2.gz JNVRFTGWTVKZED-LBPRGKRZSA-N 2 2 267.373 -0.129 20 0 CBADLP C[NH+](C)CCn1nccc1C(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000913541592 657504972 /nfs/dbraw/zinc/50/49/72/657504972.db2.gz PYMNELHVFNJIKG-LBPRGKRZSA-N 2 2 295.387 -0.807 20 0 CBADLP C[NH+](C)CCn1nccc1C(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000913541592 657504979 /nfs/dbraw/zinc/50/49/79/657504979.db2.gz PYMNELHVFNJIKG-LBPRGKRZSA-N 2 2 295.387 -0.807 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001015704969 657524208 /nfs/dbraw/zinc/52/42/08/657524208.db2.gz GPPYDBFXOHTXQO-GFCCVEGCSA-N 2 2 296.415 -0.345 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001015704969 657524211 /nfs/dbraw/zinc/52/42/11/657524211.db2.gz GPPYDBFXOHTXQO-GFCCVEGCSA-N 2 2 296.415 -0.345 20 0 CBADLP CNC(=O)C[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001015704969 657524218 /nfs/dbraw/zinc/52/42/18/657524218.db2.gz GPPYDBFXOHTXQO-GFCCVEGCSA-N 2 2 296.415 -0.345 20 0 CBADLP CNC(=O)C[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001015704969 657524222 /nfs/dbraw/zinc/52/42/22/657524222.db2.gz GPPYDBFXOHTXQO-GFCCVEGCSA-N 2 2 296.415 -0.345 20 0 CBADLP C[N@@H+]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@H]1CO ZINC000913545901 657525343 /nfs/dbraw/zinc/52/53/43/657525343.db2.gz CWTIKLRIJGNDIF-UONOGXRCSA-N 2 2 281.400 -0.004 20 0 CBADLP C[N@H+]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@H]1CO ZINC000913545901 657525347 /nfs/dbraw/zinc/52/53/47/657525347.db2.gz CWTIKLRIJGNDIF-UONOGXRCSA-N 2 2 281.400 -0.004 20 0 CBADLP CC1CC[NH+](CC(=O)N2CC[N@H+](C)[C@@H](CO)C2)CC1 ZINC000913547868 657528957 /nfs/dbraw/zinc/52/89/57/657528957.db2.gz YCTDEICXEJQKPM-CYBMUJFWSA-N 2 2 269.389 -0.147 20 0 CBADLP CC1CC[NH+](CC(=O)N2CC[N@@H+](C)[C@@H](CO)C2)CC1 ZINC000913547868 657528959 /nfs/dbraw/zinc/52/89/59/657528959.db2.gz YCTDEICXEJQKPM-CYBMUJFWSA-N 2 2 269.389 -0.147 20 0 CBADLP CC(C)[C@@H](C(=O)N1CC[N@H+](C)[C@@H](CO)C1)[NH+](C)C ZINC000913548340 657531316 /nfs/dbraw/zinc/53/13/16/657531316.db2.gz KKYDMNKTOPRTKG-NEPJUHHUSA-N 2 2 257.378 -0.293 20 0 CBADLP CC(C)[C@@H](C(=O)N1CC[N@@H+](C)[C@@H](CO)C1)[NH+](C)C ZINC000913548340 657531327 /nfs/dbraw/zinc/53/13/27/657531327.db2.gz KKYDMNKTOPRTKG-NEPJUHHUSA-N 2 2 257.378 -0.293 20 0 CBADLP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NC12CC[NH+](CC1)C2 ZINC000913636374 657572585 /nfs/dbraw/zinc/57/25/85/657572585.db2.gz DIDWVVBQGITZCP-CMPLNLGQSA-N 2 2 253.346 -0.594 20 0 CBADLP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)NC12CC[NH+](CC1)C2 ZINC000913636374 657572597 /nfs/dbraw/zinc/57/25/97/657572597.db2.gz DIDWVVBQGITZCP-CMPLNLGQSA-N 2 2 253.346 -0.594 20 0 CBADLP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NC12CC[NH+](CC1)C2 ZINC000913636376 657573777 /nfs/dbraw/zinc/57/37/77/657573777.db2.gz DIDWVVBQGITZCP-PWSUYJOCSA-N 2 2 253.346 -0.594 20 0 CBADLP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NC12CC[NH+](CC1)C2 ZINC000913636376 657573788 /nfs/dbraw/zinc/57/37/88/657573788.db2.gz DIDWVVBQGITZCP-PWSUYJOCSA-N 2 2 253.346 -0.594 20 0 CBADLP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)C[N@H+](C)C1CCC1 ZINC000913684173 657584287 /nfs/dbraw/zinc/58/42/87/657584287.db2.gz JWTLWQZBDQEREY-UHFFFAOYSA-N 2 2 296.415 -0.297 20 0 CBADLP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)C[N@@H+](C)C1CCC1 ZINC000913684173 657584298 /nfs/dbraw/zinc/58/42/98/657584298.db2.gz JWTLWQZBDQEREY-UHFFFAOYSA-N 2 2 296.415 -0.297 20 0 CBADLP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)CC1 ZINC001015930787 657611096 /nfs/dbraw/zinc/61/10/96/657611096.db2.gz VIHNDHKRFRUFPS-ZDUSSCGKSA-N 2 2 296.415 -0.217 20 0 CBADLP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)CC1 ZINC001015930787 657611105 /nfs/dbraw/zinc/61/11/05/657611105.db2.gz VIHNDHKRFRUFPS-ZDUSSCGKSA-N 2 2 296.415 -0.217 20 0 CBADLP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001015998259 657626278 /nfs/dbraw/zinc/62/62/78/657626278.db2.gz NCRJVIPEYJIHAY-WDEREUQCSA-N 2 2 268.361 -0.996 20 0 CBADLP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001015998259 657626292 /nfs/dbraw/zinc/62/62/92/657626292.db2.gz NCRJVIPEYJIHAY-WDEREUQCSA-N 2 2 268.361 -0.996 20 0 CBADLP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)C1 ZINC001015998259 657626300 /nfs/dbraw/zinc/62/63/00/657626300.db2.gz NCRJVIPEYJIHAY-WDEREUQCSA-N 2 2 268.361 -0.996 20 0 CBADLP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)C1 ZINC001015998259 657626304 /nfs/dbraw/zinc/62/63/04/657626304.db2.gz NCRJVIPEYJIHAY-WDEREUQCSA-N 2 2 268.361 -0.996 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001016003578 657626908 /nfs/dbraw/zinc/62/69/08/657626908.db2.gz KJJKPYILZBAUPS-MNOVXSKESA-N 2 2 280.372 -0.854 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001016003578 657626917 /nfs/dbraw/zinc/62/69/17/657626917.db2.gz KJJKPYILZBAUPS-MNOVXSKESA-N 2 2 280.372 -0.854 20 0 CBADLP C[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001015995902 657627793 /nfs/dbraw/zinc/62/77/93/657627793.db2.gz BLMSALXWRJLXML-MNOVXSKESA-N 2 2 266.345 -0.466 20 0 CBADLP C[C@@H](O)C[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001015995902 657627796 /nfs/dbraw/zinc/62/77/96/657627796.db2.gz BLMSALXWRJLXML-MNOVXSKESA-N 2 2 266.345 -0.466 20 0 CBADLP C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001016251405 657671541 /nfs/dbraw/zinc/67/15/41/657671541.db2.gz LNCJYFYRVNDEDC-QWHCGFSZSA-N 2 2 296.415 -0.251 20 0 CBADLP C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001016251405 657671546 /nfs/dbraw/zinc/67/15/46/657671546.db2.gz LNCJYFYRVNDEDC-QWHCGFSZSA-N 2 2 296.415 -0.251 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001016261306 657674689 /nfs/dbraw/zinc/67/46/89/657674689.db2.gz XMUOAVADTZZHHE-NEPJUHHUSA-N 2 2 291.355 -0.729 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001016261306 657674703 /nfs/dbraw/zinc/67/47/03/657674703.db2.gz XMUOAVADTZZHHE-NEPJUHHUSA-N 2 2 291.355 -0.729 20 0 CBADLP CN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C2)C1=O ZINC001016258457 657676653 /nfs/dbraw/zinc/67/66/53/657676653.db2.gz BUEWUEJKPARETE-CHWSQXEVSA-N 2 2 294.399 -0.497 20 0 CBADLP CN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C2)C1=O ZINC001016258457 657676658 /nfs/dbraw/zinc/67/66/58/657676658.db2.gz BUEWUEJKPARETE-CHWSQXEVSA-N 2 2 294.399 -0.497 20 0 CBADLP C[C@H](O)C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001016398496 657701828 /nfs/dbraw/zinc/70/18/28/657701828.db2.gz SRIMUBMZYYWLFR-QWRGUYRKSA-N 2 2 252.318 -0.546 20 0 CBADLP C[C@H](O)C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001016398496 657701840 /nfs/dbraw/zinc/70/18/40/657701840.db2.gz SRIMUBMZYYWLFR-QWRGUYRKSA-N 2 2 252.318 -0.546 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC12CC[NH+](CCO)CC2 ZINC001016930320 657739642 /nfs/dbraw/zinc/73/96/42/657739642.db2.gz LOVLMWQAOCHWPT-ZDUSSCGKSA-N 2 2 292.383 -0.074 20 0 CBADLP COCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001017441990 657761477 /nfs/dbraw/zinc/76/14/77/657761477.db2.gz SYPUNNVONDGUFM-MJBXVCDLSA-N 2 2 297.399 -0.361 20 0 CBADLP COCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001017441990 657761486 /nfs/dbraw/zinc/76/14/86/657761486.db2.gz SYPUNNVONDGUFM-MJBXVCDLSA-N 2 2 297.399 -0.361 20 0 CBADLP COCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001017441990 657761499 /nfs/dbraw/zinc/76/14/99/657761499.db2.gz SYPUNNVONDGUFM-MJBXVCDLSA-N 2 2 297.399 -0.361 20 0 CBADLP COCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001017441990 657761506 /nfs/dbraw/zinc/76/15/06/657761506.db2.gz SYPUNNVONDGUFM-MJBXVCDLSA-N 2 2 297.399 -0.361 20 0 CBADLP C[C@@H](O)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](C)CCO1 ZINC001017441088 657762113 /nfs/dbraw/zinc/76/21/13/657762113.db2.gz NQPMIKSQLUEWOG-YIYPIFLZSA-N 2 2 297.399 -0.627 20 0 CBADLP C[C@@H](O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](C)CCO1 ZINC001017441088 657762120 /nfs/dbraw/zinc/76/21/20/657762120.db2.gz NQPMIKSQLUEWOG-YIYPIFLZSA-N 2 2 297.399 -0.627 20 0 CBADLP C[C@@H](O)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001017441088 657762129 /nfs/dbraw/zinc/76/21/29/657762129.db2.gz NQPMIKSQLUEWOG-YIYPIFLZSA-N 2 2 297.399 -0.627 20 0 CBADLP C[C@@H](O)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001017441088 657762139 /nfs/dbraw/zinc/76/21/39/657762139.db2.gz NQPMIKSQLUEWOG-YIYPIFLZSA-N 2 2 297.399 -0.627 20 0 CBADLP C[C@@H](O)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1 ZINC001018337190 657801901 /nfs/dbraw/zinc/80/19/01/657801901.db2.gz ISKJVVAAEXQWEP-UPJWGTAASA-N 2 2 278.356 -0.061 20 0 CBADLP C[C@@H](O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1 ZINC001018337190 657801905 /nfs/dbraw/zinc/80/19/05/657801905.db2.gz ISKJVVAAEXQWEP-UPJWGTAASA-N 2 2 278.356 -0.061 20 0 CBADLP Cc1nnc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)[nH]1 ZINC001018634514 657830124 /nfs/dbraw/zinc/83/01/24/657830124.db2.gz IMIGEHXMOPTWEQ-RYUDHWBXSA-N 2 2 292.387 -0.102 20 0 CBADLP Cc1nnc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)[nH]1 ZINC001018634514 657830130 /nfs/dbraw/zinc/83/01/30/657830130.db2.gz IMIGEHXMOPTWEQ-RYUDHWBXSA-N 2 2 292.387 -0.102 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)N1CC[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001018950175 657854885 /nfs/dbraw/zinc/85/48/85/657854885.db2.gz XLBZRSZATTZGCZ-RYUDHWBXSA-N 2 2 291.355 -0.579 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)N1CC[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001018950175 657854886 /nfs/dbraw/zinc/85/48/86/657854886.db2.gz XLBZRSZATTZGCZ-RYUDHWBXSA-N 2 2 291.355 -0.579 20 0 CBADLP C[N@@H+]1CC[C@H](NC(=S)NCCC[NH+]2CCOCC2)C1 ZINC000919717672 657857643 /nfs/dbraw/zinc/85/76/43/657857643.db2.gz WESIBVOALNRSIA-LBPRGKRZSA-N 2 2 286.445 -0.123 20 0 CBADLP C[N@H+]1CC[C@H](NC(=S)NCCC[NH+]2CCOCC2)C1 ZINC000919717672 657857646 /nfs/dbraw/zinc/85/76/46/657857646.db2.gz WESIBVOALNRSIA-LBPRGKRZSA-N 2 2 286.445 -0.123 20 0 CBADLP NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001019060743 657861665 /nfs/dbraw/zinc/86/16/65/657861665.db2.gz DZKMFYBBUSUYGG-QWRGUYRKSA-N 2 2 291.355 -0.879 20 0 CBADLP NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001019365837 657890009 /nfs/dbraw/zinc/89/00/09/657890009.db2.gz TYMGGCUNNIXGDD-UWVGGRQHSA-N 2 2 291.355 -0.495 20 0 CBADLP C[C@H](O)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001019438927 657894509 /nfs/dbraw/zinc/89/45/09/657894509.db2.gz WOLMSPXKUPVWDA-UWVGGRQHSA-N 2 2 252.318 -0.477 20 0 CBADLP C[C@H](CC(=O)N1CC[C@H]([NH2+]CC(N)=O)C1)n1cc[nH+]c1 ZINC001019447315 657896439 /nfs/dbraw/zinc/89/64/39/657896439.db2.gz BZKVFKRJGYLFGC-MNOVXSKESA-N 2 2 279.344 -0.490 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]([NH2+]CCO)C1 ZINC001019654996 657927917 /nfs/dbraw/zinc/92/79/17/657927917.db2.gz IPRSNFJFURTXJU-JTQLQIEISA-N 2 2 252.318 -0.855 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@H]([NH2+]CCO)C1 ZINC001019721216 657932816 /nfs/dbraw/zinc/93/28/16/657932816.db2.gz FZENNCBBXAAXIC-NSHDSACASA-N 2 2 266.345 -0.465 20 0 CBADLP Cc1nnc(C[NH2+][C@H]2CCN(C(=O)C[NH+]3CCCC3)C2)[nH]1 ZINC001019774713 657938444 /nfs/dbraw/zinc/93/84/44/657938444.db2.gz FKLMPLAJZIMCIU-LBPRGKRZSA-N 2 2 292.387 -0.101 20 0 CBADLP C[NH+](C)[C@H](C(=O)N1CC[C@H]([NH2+]CCO)C1)c1cccnc1 ZINC001019833353 657950738 /nfs/dbraw/zinc/95/07/38/657950738.db2.gz JTJIIZDEZWNPDP-KBPBESRZSA-N 2 2 292.383 -0.133 20 0 CBADLP COc1cc[nH+]cc1CC(=O)N[C@H]1C[C@H]([NH2+]CCO)C1 ZINC001020288064 658034571 /nfs/dbraw/zinc/03/45/71/658034571.db2.gz XLDOHQWLNCPDKC-HAQNSBGRSA-N 2 2 279.340 -0.138 20 0 CBADLP NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001020312890 658036829 /nfs/dbraw/zinc/03/68/29/658036829.db2.gz XJBIAURIQONLLU-DCAQKATOSA-N 2 2 291.355 -0.832 20 0 CBADLP NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001020571717 658073611 /nfs/dbraw/zinc/07/36/11/658073611.db2.gz TVEBCDSDPWMMKQ-OPRDCNLKSA-N 2 2 291.355 -0.448 20 0 CBADLP CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1)C(N)=O ZINC001020819523 658094430 /nfs/dbraw/zinc/09/44/30/658094430.db2.gz YWVVRSFEACDCOH-GUBZILKMSA-N 2 2 279.344 -0.547 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@H]([NH2+]CCO)C1 ZINC001020981656 658123057 /nfs/dbraw/zinc/12/30/57/658123057.db2.gz KUNLEYFPFMEWEZ-MGCOHNPYSA-N 2 2 252.318 -0.510 20 0 CBADLP O=C(N[C@H]1C[C@H]([NH2+]CCO)C1)[C@H](C1CC1)[NH+]1CCOCC1 ZINC001021081098 658148157 /nfs/dbraw/zinc/14/81/57/658148157.db2.gz VUAGNGAYKLTIAF-IHRRRGAJSA-N 2 2 297.399 -0.674 20 0 CBADLP Cn1cnnc1C[NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001021125959 658150571 /nfs/dbraw/zinc/15/05/71/658150571.db2.gz BNXJOHBUVCBXHP-XYPYZODXSA-N 2 2 289.343 -0.551 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001021127699 658154561 /nfs/dbraw/zinc/15/45/61/658154561.db2.gz ULHAWMKUJQQADG-HAQNSBGRSA-N 2 2 291.355 -0.648 20 0 CBADLP CCc1nc(CN2CC[NH+]([C@H]3C[C@H]([NH3+])C[C@@H]3O)CC2)no1 ZINC000923322229 658208970 /nfs/dbraw/zinc/20/89/70/658208970.db2.gz KEOYCYFZRXBLAX-SRVKXCTJSA-N 2 2 295.387 -0.400 20 0 CBADLP Cc1noc([C@H](C)N2CC[NH+]([C@H]3C[C@H]([NH3+])C[C@@H]3O)CC2)n1 ZINC000923321015 658209543 /nfs/dbraw/zinc/20/95/43/658209543.db2.gz BLIXATSZVCTLOQ-BQUFFADESA-N 2 2 295.387 -0.093 20 0 CBADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](CCO[C@@H]2CCOC2)C1 ZINC000923333699 658214039 /nfs/dbraw/zinc/21/40/39/658214039.db2.gz RRTLMVKDJGUTQV-ZIAGYGMSSA-N 2 2 297.399 -0.312 20 0 CBADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](CCO[C@@H]2CCOC2)C1 ZINC000923333699 658214047 /nfs/dbraw/zinc/21/40/47/658214047.db2.gz RRTLMVKDJGUTQV-ZIAGYGMSSA-N 2 2 297.399 -0.312 20 0 CBADLP C[NH+](C)CCC[C@H]1C[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CCO1 ZINC000923396482 658253736 /nfs/dbraw/zinc/25/37/36/658253736.db2.gz COLQOBHJWRTAJQ-XUXIUFHCSA-N 3 2 271.405 -0.120 20 0 CBADLP C[NH+](C)CCC[C@H]1C[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CCO1 ZINC000923396482 658253743 /nfs/dbraw/zinc/25/37/43/658253743.db2.gz COLQOBHJWRTAJQ-XUXIUFHCSA-N 3 2 271.405 -0.120 20 0 CBADLP CO[C@@H]1C[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)[C@](C)(C[NH3+])C1 ZINC000923410699 658263531 /nfs/dbraw/zinc/26/35/31/658263531.db2.gz IHQGWXOUWXFVAB-AVGNSLFASA-N 3 2 269.389 -0.197 20 0 CBADLP CO[C@@H]1C[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)[C@](C)(C[NH3+])C1 ZINC000923410699 658263539 /nfs/dbraw/zinc/26/35/39/658263539.db2.gz IHQGWXOUWXFVAB-AVGNSLFASA-N 3 2 269.389 -0.197 20 0 CBADLP C[S@@](=N)(=O)N1CC[NH+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923423047 658275058 /nfs/dbraw/zinc/27/50/58/658275058.db2.gz YSIGZMGDWAUDAV-WLRWDXFRSA-N 2 2 288.417 -0.426 20 0 CBADLP [NH3+][C@H]1CCC[N@H+](C[C@H](O)COC[C@@H]2CCCO2)C1 ZINC000923431308 658276963 /nfs/dbraw/zinc/27/69/63/658276963.db2.gz STOWHEYKZFIKJF-AVGNSLFASA-N 2 2 258.362 -0.034 20 0 CBADLP [NH3+][C@H]1CCC[N@@H+](C[C@H](O)COC[C@@H]2CCCO2)C1 ZINC000923431308 658276983 /nfs/dbraw/zinc/27/69/83/658276983.db2.gz STOWHEYKZFIKJF-AVGNSLFASA-N 2 2 258.362 -0.034 20 0 CBADLP CC(C)OCC[C@@H](O)C[N@@H+]1CCC[C@@]([NH3+])(CO)C1 ZINC000923472003 658295437 /nfs/dbraw/zinc/29/54/37/658295437.db2.gz MIRFXKNRSDBFBG-OLZOCXBDSA-N 2 2 260.378 -0.052 20 0 CBADLP CC(C)OCC[C@@H](O)C[N@H+]1CCC[C@@]([NH3+])(CO)C1 ZINC000923472003 658295462 /nfs/dbraw/zinc/29/54/62/658295462.db2.gz MIRFXKNRSDBFBG-OLZOCXBDSA-N 2 2 260.378 -0.052 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923491497 658307834 /nfs/dbraw/zinc/30/78/34/658307834.db2.gz IERXAUYEFCFYLF-RDBSUJKOSA-N 3 2 273.421 -0.158 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923491497 658307846 /nfs/dbraw/zinc/30/78/46/658307846.db2.gz IERXAUYEFCFYLF-RDBSUJKOSA-N 3 2 273.421 -0.158 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923491497 658307863 /nfs/dbraw/zinc/30/78/63/658307863.db2.gz IERXAUYEFCFYLF-RDBSUJKOSA-N 3 2 273.421 -0.158 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923491497 658307875 /nfs/dbraw/zinc/30/78/75/658307875.db2.gz IERXAUYEFCFYLF-RDBSUJKOSA-N 3 2 273.421 -0.158 20 0 CBADLP C[C@@H]1C[N@H+](C[C@@H](O)COC[C@H]2CCCO2)C[C@H]1[NH3+] ZINC000923508122 658311899 /nfs/dbraw/zinc/31/18/99/658311899.db2.gz HSWCLYSFUZSWME-FDYHWXHSSA-N 2 2 258.362 -0.178 20 0 CBADLP C[C@@H]1C[N@@H+](C[C@@H](O)COC[C@H]2CCCO2)C[C@H]1[NH3+] ZINC000923508122 658311913 /nfs/dbraw/zinc/31/19/13/658311913.db2.gz HSWCLYSFUZSWME-FDYHWXHSSA-N 2 2 258.362 -0.178 20 0 CBADLP COC(=O)[C@]12C[C@H]1CCC[N@@H+]2CCC(=O)N1CC[NH2+]CC1 ZINC000923550336 658319308 /nfs/dbraw/zinc/31/93/08/658319308.db2.gz BKPSGULUWBIFQO-DOMZBBRYSA-N 2 2 295.383 -0.164 20 0 CBADLP COC(=O)[C@]12C[C@H]1CCC[N@H+]2CCC(=O)N1CC[NH2+]CC1 ZINC000923550336 658319315 /nfs/dbraw/zinc/31/93/15/658319315.db2.gz BKPSGULUWBIFQO-DOMZBBRYSA-N 2 2 295.383 -0.164 20 0 CBADLP CC(C)C[N@@H+]1CCO[C@@H](CNS(=O)(=O)C2C[NH2+]C2)C1 ZINC000923589940 658340213 /nfs/dbraw/zinc/34/02/13/658340213.db2.gz SIGPDSREUOXYBX-NSHDSACASA-N 2 2 291.417 -0.766 20 0 CBADLP CC(C)C[N@H+]1CCO[C@@H](CNS(=O)(=O)C2C[NH2+]C2)C1 ZINC000923589940 658340225 /nfs/dbraw/zinc/34/02/25/658340225.db2.gz SIGPDSREUOXYBX-NSHDSACASA-N 2 2 291.417 -0.766 20 0 CBADLP O=S(=O)(N1CCc2c[nH+]ccc21)N1CC[NH2+]CC1 ZINC000923627388 658361762 /nfs/dbraw/zinc/36/17/62/658361762.db2.gz URDUAISOHSPHPP-UHFFFAOYSA-N 2 2 268.342 -0.406 20 0 CBADLP O=S(=O)(N1CC[NH2+]CC1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000923627944 658363194 /nfs/dbraw/zinc/36/31/94/658363194.db2.gz YGXNXWGMXSODCL-UHFFFAOYSA-N 2 2 299.400 -0.261 20 0 CBADLP [NH3+]CC(F)(F)CNS(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923635505 658365951 /nfs/dbraw/zinc/36/59/51/658365951.db2.gz TYVHATRIOAYVJZ-SSDOTTSWSA-N 2 2 257.306 -0.748 20 0 CBADLP CCCN(C)S(=O)(=O)N1CC[NH2+]CC[NH2+]CC1 ZINC000923691888 658400009 /nfs/dbraw/zinc/40/00/09/658400009.db2.gz WZWHCJNPPCLWIQ-UHFFFAOYSA-N 2 2 264.395 -0.932 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000957663649 658484193 /nfs/dbraw/zinc/48/41/93/658484193.db2.gz SSZPYDAVHDGNPX-LLVKDONJSA-N 2 2 266.345 -0.283 20 0 CBADLP CC1(C)CNC(=O)[C@@H]1[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000924758454 658635707 /nfs/dbraw/zinc/63/57/07/658635707.db2.gz VPMBYSSVRQYOTG-QWRGUYRKSA-N 2 2 255.362 -0.443 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CN3C[C@@H]2CCC3)CC1 ZINC000924842379 658643786 /nfs/dbraw/zinc/64/37/86/658643786.db2.gz SARQBRYZQJLITE-QWHCGFSZSA-N 2 2 266.389 -0.556 20 0 CBADLP C[C@@H](C[C@@H]1CCC(=O)N1)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000924841563 658645065 /nfs/dbraw/zinc/64/50/65/658645065.db2.gz KEAGVJMNNJIWOX-RYUDHWBXSA-N 2 2 282.388 -0.593 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCOC23CCOCC3)CC1 ZINC000924840400 658645081 /nfs/dbraw/zinc/64/50/81/658645081.db2.gz VMHQRKXHUHGARJ-CYBMUJFWSA-N 2 2 297.399 -0.312 20 0 CBADLP C[N@@H+]1C[C@H](O)C[C@@H]1CNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000924981822 658690285 /nfs/dbraw/zinc/69/02/85/658690285.db2.gz OTHYIZCTHOPNBM-LLGAQUFESA-N 2 2 283.372 -0.944 20 0 CBADLP C[N@H+]1C[C@H](O)C[C@@H]1CNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000924981822 658690297 /nfs/dbraw/zinc/69/02/97/658690297.db2.gz OTHYIZCTHOPNBM-LLGAQUFESA-N 2 2 283.372 -0.944 20 0 CBADLP O=C(N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21)[C@@H]1CCc2c[nH+]cn2C1 ZINC000960652675 658805439 /nfs/dbraw/zinc/80/54/39/658805439.db2.gz XTJWFVYOYRUGGW-ZZVYKPCYSA-N 2 2 290.367 -0.516 20 0 CBADLP O=C(N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21)[C@@H]1CCc2c[nH+]cn2C1 ZINC000960652675 658805444 /nfs/dbraw/zinc/80/54/44/658805444.db2.gz XTJWFVYOYRUGGW-ZZVYKPCYSA-N 2 2 290.367 -0.516 20 0 CBADLP C[N@@H+]1CC[C@@H]1CNC(=O)N1CC[C@H]2OCC[NH+](C)[C@@H]2C1 ZINC000925422903 658845531 /nfs/dbraw/zinc/84/55/31/658845531.db2.gz XIGFJEKPJIUAFK-JHJVBQTASA-N 2 2 282.388 -0.195 20 0 CBADLP C[N@H+]1CC[C@@H]1CNC(=O)N1CC[C@H]2OCC[NH+](C)[C@@H]2C1 ZINC000925422903 658845537 /nfs/dbraw/zinc/84/55/37/658845537.db2.gz XIGFJEKPJIUAFK-JHJVBQTASA-N 2 2 282.388 -0.195 20 0 CBADLP C[NH+]1CC[C@@H]1CNC(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000925422903 658845542 /nfs/dbraw/zinc/84/55/42/658845542.db2.gz XIGFJEKPJIUAFK-JHJVBQTASA-N 2 2 282.388 -0.195 20 0 CBADLP C[NH+]1CC[C@@H]1CNC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000925422903 658845544 /nfs/dbraw/zinc/84/55/44/658845544.db2.gz XIGFJEKPJIUAFK-JHJVBQTASA-N 2 2 282.388 -0.195 20 0 CBADLP C[N@@H+]1CC[C@@H]1CNC(=O)N1CC[C@@H]2OCC[NH+](C)[C@H]2C1 ZINC000925422899 658846016 /nfs/dbraw/zinc/84/60/16/658846016.db2.gz XIGFJEKPJIUAFK-AGIUHOORSA-N 2 2 282.388 -0.195 20 0 CBADLP C[N@H+]1CC[C@@H]1CNC(=O)N1CC[C@@H]2OCC[NH+](C)[C@H]2C1 ZINC000925422899 658846019 /nfs/dbraw/zinc/84/60/19/658846019.db2.gz XIGFJEKPJIUAFK-AGIUHOORSA-N 2 2 282.388 -0.195 20 0 CBADLP C[NH+]1CC[C@@H]1CNC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000925422899 658846021 /nfs/dbraw/zinc/84/60/21/658846021.db2.gz XIGFJEKPJIUAFK-AGIUHOORSA-N 2 2 282.388 -0.195 20 0 CBADLP C[NH+]1CC[C@@H]1CNC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000925422899 658846026 /nfs/dbraw/zinc/84/60/26/658846026.db2.gz XIGFJEKPJIUAFK-AGIUHOORSA-N 2 2 282.388 -0.195 20 0 CBADLP C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@@H]2CC[NH+]2C)[C@H](C)C1 ZINC000925425205 658847421 /nfs/dbraw/zinc/84/74/21/658847421.db2.gz NEQALLRGFIFAFE-AGIUHOORSA-N 2 2 284.404 -0.213 20 0 CBADLP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@@H]2CC[NH+]2C)[C@H](C)C1 ZINC000925425205 658847424 /nfs/dbraw/zinc/84/74/24/658847424.db2.gz NEQALLRGFIFAFE-AGIUHOORSA-N 2 2 284.404 -0.213 20 0 CBADLP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2CC[N@@H+]2C)[C@H](C)C1 ZINC000925425205 658847428 /nfs/dbraw/zinc/84/74/28/658847428.db2.gz NEQALLRGFIFAFE-AGIUHOORSA-N 2 2 284.404 -0.213 20 0 CBADLP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2CC[N@H+]2C)[C@H](C)C1 ZINC000925425205 658847430 /nfs/dbraw/zinc/84/74/30/658847430.db2.gz NEQALLRGFIFAFE-AGIUHOORSA-N 2 2 284.404 -0.213 20 0 CBADLP C[N@@H+]1CC[C@@H]1CNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000925434252 658854214 /nfs/dbraw/zinc/85/42/14/658854214.db2.gz IRPMDODFRFNTRA-CHWSQXEVSA-N 2 2 282.388 -0.193 20 0 CBADLP C[N@H+]1CC[C@@H]1CNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000925434252 658854218 /nfs/dbraw/zinc/85/42/18/658854218.db2.gz IRPMDODFRFNTRA-CHWSQXEVSA-N 2 2 282.388 -0.193 20 0 CBADLP CCCNC(=O)C[NH+]1CCC(N[C@H]2C[NH2+]CCOC2)CC1 ZINC000925544643 658858234 /nfs/dbraw/zinc/85/82/34/658858234.db2.gz UAMCTVQJDOKRCI-AWEZNQCLSA-N 2 2 298.431 -0.445 20 0 CBADLP CC(C)[C@@H](CN[C@H]1C[NH2+]CCOC1)N1CC[NH+](C)CC1 ZINC000925605486 658862535 /nfs/dbraw/zinc/86/25/35/658862535.db2.gz GPSMMIDFLMCSJN-LSDHHAIUSA-N 2 2 284.448 -0.164 20 0 CBADLP CC1(C)[C@@H]([NH2+]CC(=O)N2CC[NH2+]CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925690705 658865922 /nfs/dbraw/zinc/86/59/22/658865922.db2.gz KUKMJTXBENRQJC-XBFCOCLRSA-N 3 2 280.416 -0.216 20 0 CBADLP C[NH+]1CCN(C(=O)C(=O)N2CC[C@]3(C2)CCCC[NH2+]3)CC1 ZINC000926445287 658901531 /nfs/dbraw/zinc/90/15/31/658901531.db2.gz XBMOBOWNXCDMRB-HNNXBMFYSA-N 2 2 294.399 -0.495 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](CC(N)=O)CC[C@H]1C ZINC000967401854 658912151 /nfs/dbraw/zinc/91/21/51/658912151.db2.gz IEXVWPXGZFWSNT-ZYHUDNBSSA-N 2 2 293.371 -0.497 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](CC(N)=O)CC[C@H]1C ZINC000967401854 658912155 /nfs/dbraw/zinc/91/21/55/658912155.db2.gz IEXVWPXGZFWSNT-ZYHUDNBSSA-N 2 2 293.371 -0.497 20 0 CBADLP O=C(CCc1[nH]cc[nH+]1)N1CC[C@@H]([NH2+]CCO)C1 ZINC000968534184 658931127 /nfs/dbraw/zinc/93/11/27/658931127.db2.gz DXHOFYXNYMOOEA-SNVBAGLBSA-N 2 2 252.318 -0.475 20 0 CBADLP C[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000968877654 658943491 /nfs/dbraw/zinc/94/34/91/658943491.db2.gz XJEAATFBGAKXSI-ZYHUDNBSSA-N 2 2 266.345 -0.086 20 0 CBADLP C[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000968877654 658943496 /nfs/dbraw/zinc/94/34/96/658943496.db2.gz XJEAATFBGAKXSI-ZYHUDNBSSA-N 2 2 266.345 -0.086 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)N1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC000969436361 658991665 /nfs/dbraw/zinc/99/16/65/658991665.db2.gz DVJJIFQQWIMLBR-SNVBAGLBSA-N 2 2 279.344 -0.972 20 0 CBADLP C[C@H](O)C[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000969518879 659000551 /nfs/dbraw/zinc/00/05/51/659000551.db2.gz ZSOOUGIRVQFYMZ-NWDGAFQWSA-N 2 2 266.345 -0.156 20 0 CBADLP C[C@H](NC(=O)[C@@H]1C[NH+]2CCC1CC2)C1C[NH+](CC(N)=O)C1 ZINC000969678145 659010452 /nfs/dbraw/zinc/01/04/52/659010452.db2.gz UHOWYANVMBZAHB-GXFFZTMASA-N 2 2 294.399 -0.750 20 0 CBADLP C[C@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)C1C[NH+](CCO)C1 ZINC000969996876 659028570 /nfs/dbraw/zinc/02/85/70/659028570.db2.gz LFKNLHBCBKOTMV-NWDGAFQWSA-N 2 2 292.383 -0.126 20 0 CBADLP C[C@@H](NC(=O)c1cc(C[NH+](C)C)on1)C1C[NH+](CCO)C1 ZINC000970013690 659028769 /nfs/dbraw/zinc/02/87/69/659028769.db2.gz VQZDJLIWTQQRGT-SNVBAGLBSA-N 2 2 296.371 -0.221 20 0 CBADLP C[C@@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1C[NH+](CCO)C1 ZINC000969992433 659028882 /nfs/dbraw/zinc/02/88/82/659028882.db2.gz MFWCUVXNWMLGPX-VXGBXAGGSA-N 2 2 292.383 -0.126 20 0 CBADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H]([NH2+]CCO)C1 ZINC000970006941 659028946 /nfs/dbraw/zinc/02/89/46/659028946.db2.gz KFRURBGBIHKFQH-IJLUTSLNSA-N 2 2 278.356 -0.294 20 0 CBADLP C[C@H]([NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1)C(N)=O ZINC000970103676 659035581 /nfs/dbraw/zinc/03/55/81/659035581.db2.gz RRZXLVPPEQDCSK-DTWKUNHWSA-N 2 2 265.317 -0.984 20 0 CBADLP C[C@H]([NH2+][C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1)C(N)=O ZINC000970485705 659058236 /nfs/dbraw/zinc/05/82/36/659058236.db2.gz YAGRTPPXORPDFX-VHSXEESVSA-N 2 2 293.371 -0.248 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC000970612722 659062930 /nfs/dbraw/zinc/06/29/30/659062930.db2.gz XLKUJKZZIPZBBD-SNVBAGLBSA-N 2 2 279.344 -0.972 20 0 CBADLP Cn1nncc1C[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000970857833 659072073 /nfs/dbraw/zinc/07/20/73/659072073.db2.gz LYJCQVPOHPLLQV-LLVKDONJSA-N 2 2 289.343 -0.598 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H]([N@@H+](C)[C@H](C)C(N)=O)C1 ZINC000971949765 659101405 /nfs/dbraw/zinc/10/14/05/659101405.db2.gz MYWFMQMCKZPKNB-NEPJUHHUSA-N 2 2 293.371 -0.402 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H]([N@H+](C)[C@H](C)C(N)=O)C1 ZINC000971949765 659101416 /nfs/dbraw/zinc/10/14/16/659101416.db2.gz MYWFMQMCKZPKNB-NEPJUHHUSA-N 2 2 293.371 -0.402 20 0 CBADLP Cn1cc(C2=NC[C@H](C[NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)O2)cn1 ZINC000929313041 659116406 /nfs/dbraw/zinc/11/64/06/659116406.db2.gz PGRJSRKICKKFOS-NQBHXWOUSA-N 2 2 275.356 -0.283 20 0 CBADLP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1C[NH+](CC(N)=O)CC1(C)C ZINC000975053148 659176451 /nfs/dbraw/zinc/17/64/51/659176451.db2.gz SSUWNPKJIJHPCQ-RYUDHWBXSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1C[NH+](CC(N)=O)CC1(C)C ZINC000975053148 659176459 /nfs/dbraw/zinc/17/64/59/659176459.db2.gz SSUWNPKJIJHPCQ-RYUDHWBXSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1C[N@H+](CC(N)=O)CC1(C)C ZINC000975053148 659176464 /nfs/dbraw/zinc/17/64/64/659176464.db2.gz SSUWNPKJIJHPCQ-RYUDHWBXSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1C[N@@H+](CC(N)=O)CC1(C)C ZINC000975053148 659176467 /nfs/dbraw/zinc/17/64/67/659176467.db2.gz SSUWNPKJIJHPCQ-RYUDHWBXSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1C[C@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000977596269 659198496 /nfs/dbraw/zinc/19/84/96/659198496.db2.gz RRBLSODNXYZWSB-RYUDHWBXSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1C[C@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000977596269 659198504 /nfs/dbraw/zinc/19/85/04/659198504.db2.gz RRBLSODNXYZWSB-RYUDHWBXSA-N 2 2 296.415 -0.217 20 0 CBADLP NC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000981175813 659310547 /nfs/dbraw/zinc/31/05/47/659310547.db2.gz GJDRMBPEWIAUFY-CYBMUJFWSA-N 2 2 294.399 -0.652 20 0 CBADLP NC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000981175813 659310549 /nfs/dbraw/zinc/31/05/49/659310549.db2.gz GJDRMBPEWIAUFY-CYBMUJFWSA-N 2 2 294.399 -0.652 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CCCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC000981324578 659315151 /nfs/dbraw/zinc/31/51/51/659315151.db2.gz NPAQGPWMLRMNOC-LBPRGKRZSA-N 2 2 296.415 -0.121 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CCCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC000981324578 659315154 /nfs/dbraw/zinc/31/51/54/659315154.db2.gz NPAQGPWMLRMNOC-LBPRGKRZSA-N 2 2 296.415 -0.121 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CCCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC000981340718 659315399 /nfs/dbraw/zinc/31/53/99/659315399.db2.gz KCTOUINCJKYMHK-GFCCVEGCSA-N 2 2 296.415 -0.121 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CCCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC000981340718 659315404 /nfs/dbraw/zinc/31/54/04/659315404.db2.gz KCTOUINCJKYMHK-GFCCVEGCSA-N 2 2 296.415 -0.121 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CCCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC000981340718 659315411 /nfs/dbraw/zinc/31/54/11/659315411.db2.gz KCTOUINCJKYMHK-GFCCVEGCSA-N 2 2 296.415 -0.121 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CCCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC000981340718 659315418 /nfs/dbraw/zinc/31/54/18/659315418.db2.gz KCTOUINCJKYMHK-GFCCVEGCSA-N 2 2 296.415 -0.121 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CCC[C@@H]([NH2+]CCO)C1 ZINC000981415510 659317340 /nfs/dbraw/zinc/31/73/40/659317340.db2.gz AQCNPDCKKOTQJA-GHMZBOCLSA-N 2 2 266.345 -0.039 20 0 CBADLP NC(=O)C[NH2+][C@@H]1CCC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000981417642 659317486 /nfs/dbraw/zinc/31/74/86/659317486.db2.gz MCTUIVYMZADGPF-NXEZZACHSA-N 2 2 279.344 -0.546 20 0 CBADLP NC(=O)C[NH2+][C@H]1CCC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000981417643 659317817 /nfs/dbraw/zinc/31/78/17/659317817.db2.gz MCTUIVYMZADGPF-UWVGGRQHSA-N 2 2 279.344 -0.546 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)N1CCC[N@H+](CCO)CC1 ZINC000981668271 659324923 /nfs/dbraw/zinc/32/49/23/659324923.db2.gz JHDCYWHKLLZEEL-UHFFFAOYSA-N 2 2 280.372 -0.121 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)N1CCC[N@@H+](CCO)CC1 ZINC000981668271 659324926 /nfs/dbraw/zinc/32/49/26/659324926.db2.gz JHDCYWHKLLZEEL-UHFFFAOYSA-N 2 2 280.372 -0.121 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CCCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC000981957141 659338067 /nfs/dbraw/zinc/33/80/67/659338067.db2.gz DTLPELRWGDFHCZ-STQMWFEESA-N 2 2 296.415 -0.264 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CCCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC000981957141 659338077 /nfs/dbraw/zinc/33/80/77/659338077.db2.gz DTLPELRWGDFHCZ-STQMWFEESA-N 2 2 296.415 -0.264 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC000981957141 659338078 /nfs/dbraw/zinc/33/80/78/659338078.db2.gz DTLPELRWGDFHCZ-STQMWFEESA-N 2 2 296.415 -0.264 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC000981957141 659338082 /nfs/dbraw/zinc/33/80/82/659338082.db2.gz DTLPELRWGDFHCZ-STQMWFEESA-N 2 2 296.415 -0.264 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CC2(C1)CCC[N@H+](CCO)C2 ZINC000982117924 659341014 /nfs/dbraw/zinc/34/10/14/659341014.db2.gz DOUONTZATVQTEB-UHFFFAOYSA-N 2 2 292.383 -0.121 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CC2(C1)CCC[N@@H+](CCO)C2 ZINC000982117924 659341018 /nfs/dbraw/zinc/34/10/18/659341018.db2.gz DOUONTZATVQTEB-UHFFFAOYSA-N 2 2 292.383 -0.121 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CC2(C1)CCC[N@@H+](CCO)C2 ZINC000982171355 659342225 /nfs/dbraw/zinc/34/22/25/659342225.db2.gz GJENEGJFYUSFGA-UHFFFAOYSA-N 2 2 278.356 -0.200 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CC2(C1)CCC[N@H+](CCO)C2 ZINC000982171355 659342236 /nfs/dbraw/zinc/34/22/36/659342236.db2.gz GJENEGJFYUSFGA-UHFFFAOYSA-N 2 2 278.356 -0.200 20 0 CBADLP CON1CC[C@@H]([N@@H+]2CCOC3(CC[NH+](C)CC3)C2)C1=O ZINC000930823874 659345024 /nfs/dbraw/zinc/34/50/24/659345024.db2.gz XLLFKWKYNOUODS-GFCCVEGCSA-N 2 2 283.372 -0.055 20 0 CBADLP CON1CC[C@@H]([N@H+]2CCOC3(CC[NH+](C)CC3)C2)C1=O ZINC000930823874 659345031 /nfs/dbraw/zinc/34/50/31/659345031.db2.gz XLLFKWKYNOUODS-GFCCVEGCSA-N 2 2 283.372 -0.055 20 0 CBADLP C[C@@H]1C(=O)N[C@@H](C)[C@H](C)[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000930840246 659349886 /nfs/dbraw/zinc/34/98/86/659349886.db2.gz SNRMYXYJHVXCLY-RWMBFGLXSA-N 2 2 296.415 -0.252 20 0 CBADLP C[C@@H]1C(=O)N[C@@H](C)[C@H](C)[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000930840246 659349892 /nfs/dbraw/zinc/34/98/92/659349892.db2.gz SNRMYXYJHVXCLY-RWMBFGLXSA-N 2 2 296.415 -0.252 20 0 CBADLP CC(=O)N1CCC([N@@H+]2CCN(CC[NH+](C)C)C(=O)C2)CC1 ZINC000930851415 659352254 /nfs/dbraw/zinc/35/22/54/659352254.db2.gz ZNOIXFXLCXFRSV-UHFFFAOYSA-N 2 2 296.415 -0.297 20 0 CBADLP CC(=O)N1CCC([N@H+]2CCN(CC[NH+](C)C)C(=O)C2)CC1 ZINC000930851415 659352261 /nfs/dbraw/zinc/35/22/61/659352261.db2.gz ZNOIXFXLCXFRSV-UHFFFAOYSA-N 2 2 296.415 -0.297 20 0 CBADLP CNS(=O)(=O)CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931279945 659424608 /nfs/dbraw/zinc/42/46/08/659424608.db2.gz USDKXPKUIRSWBW-URLYPYJESA-N 2 2 261.391 -0.583 20 0 CBADLP CNS(=O)(=O)CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931279945 659424613 /nfs/dbraw/zinc/42/46/13/659424613.db2.gz USDKXPKUIRSWBW-URLYPYJESA-N 2 2 261.391 -0.583 20 0 CBADLP C[NH+]1C[C@]2(C)C[NH+](CCN3C(=O)CNC3=O)C[C@@]2(C)C1 ZINC000931305825 659428162 /nfs/dbraw/zinc/42/81/62/659428162.db2.gz HPMOKXIPLOYUEM-ZIAGYGMSSA-N 2 2 280.372 -0.188 20 0 CBADLP C[NH+]1C[C@@]2(C)C[NH+](CCC(=O)NC(N)=O)C[C@]2(C)C1 ZINC000931308850 659429255 /nfs/dbraw/zinc/42/92/55/659429255.db2.gz PBORPRJHVJSYME-STQMWFEESA-N 2 2 268.361 -0.155 20 0 CBADLP C[C@@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000986211613 659430104 /nfs/dbraw/zinc/43/01/04/659430104.db2.gz IHFMYAOPIYBOFS-ZJUUUORDSA-N 2 2 279.344 -0.593 20 0 CBADLP C[C@H]1[C@@H]([NH2+]CCO)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000986343695 659446265 /nfs/dbraw/zinc/44/62/65/659446265.db2.gz MBPJLPDONDVSSA-JQWIXIFHSA-N 2 2 266.345 -0.086 20 0 CBADLP C[C@H]1[C@@H]([NH2+]CCO)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000986343695 659446283 /nfs/dbraw/zinc/44/62/83/659446283.db2.gz MBPJLPDONDVSSA-JQWIXIFHSA-N 2 2 266.345 -0.086 20 0 CBADLP C[C@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000986355866 659447796 /nfs/dbraw/zinc/44/77/96/659447796.db2.gz QPZMSEPMQOQOKP-ONGXEEELSA-N 2 2 279.344 -0.593 20 0 CBADLP C[C@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000986355866 659447814 /nfs/dbraw/zinc/44/78/14/659447814.db2.gz QPZMSEPMQOQOKP-ONGXEEELSA-N 2 2 279.344 -0.593 20 0 CBADLP C[C@H]1[C@@H]([NH2+]CCO)CCN1C(=O)CCc1[nH+]ccn1C ZINC000986604709 659464850 /nfs/dbraw/zinc/46/48/50/659464850.db2.gz UBTKKOSQJFEVGV-RYUDHWBXSA-N 2 2 280.372 -0.076 20 0 CBADLP C[C@@H]1[C@@H]([NH2+]CCO)CCN1C(=O)CCc1[nH+]ccn1C ZINC000986604703 659464899 /nfs/dbraw/zinc/46/48/99/659464899.db2.gz UBTKKOSQJFEVGV-NEPJUHHUSA-N 2 2 280.372 -0.076 20 0 CBADLP Nc1cc[nH+]c2c1C[N@H+](C[C@@H](O)C[C@]1(O)CCOC1)CC2 ZINC000931516091 659477295 /nfs/dbraw/zinc/47/72/95/659477295.db2.gz HCQKOSNYFSMHQI-XHDPSFHLSA-N 2 2 293.367 -0.076 20 0 CBADLP Nc1cc[nH+]c2c1C[N@@H+](C[C@@H](O)C[C@]1(O)CCOC1)CC2 ZINC000931516091 659477301 /nfs/dbraw/zinc/47/73/01/659477301.db2.gz HCQKOSNYFSMHQI-XHDPSFHLSA-N 2 2 293.367 -0.076 20 0 CBADLP C[C@@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000987072284 659488803 /nfs/dbraw/zinc/48/88/03/659488803.db2.gz ZTQWLBORNKFMPV-SCZZXKLOSA-N 2 2 265.317 -0.984 20 0 CBADLP COC1(OC)CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C[C@H]1O ZINC000931640798 659500802 /nfs/dbraw/zinc/50/08/02/659500802.db2.gz KGNRJALNCGJQSA-QWHCGFSZSA-N 2 2 288.388 -0.501 20 0 CBADLP COC1(OC)CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C[C@H]1O ZINC000931640798 659500813 /nfs/dbraw/zinc/50/08/13/659500813.db2.gz KGNRJALNCGJQSA-QWHCGFSZSA-N 2 2 288.388 -0.501 20 0 CBADLP C[C@@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)CCc1c[nH+]cn1C ZINC000987433920 659505462 /nfs/dbraw/zinc/50/54/62/659505462.db2.gz PBCMCOBQHKODFF-PWSUYJOCSA-N 2 2 293.371 -0.583 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]([NH2+]CC(N)=O)[C@@H]1C ZINC000987424032 659506426 /nfs/dbraw/zinc/50/64/26/659506426.db2.gz YIQMAFKPBWUWKD-UWVGGRQHSA-N 2 2 279.344 -0.675 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@@H]2C(=O)NCC2(C)C)CC1 ZINC000931664686 659507509 /nfs/dbraw/zinc/50/75/09/659507509.db2.gz TUDPRRKRDBAFEH-VXGBXAGGSA-N 2 2 296.415 -0.347 20 0 CBADLP C[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000931872795 659532888 /nfs/dbraw/zinc/53/28/88/659532888.db2.gz QWYHXYKKSLYIQO-ZDUSSCGKSA-N 2 2 294.399 -0.639 20 0 CBADLP C[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000931872795 659532905 /nfs/dbraw/zinc/53/29/05/659532905.db2.gz QWYHXYKKSLYIQO-ZDUSSCGKSA-N 2 2 294.399 -0.639 20 0 CBADLP C[C@@H]1C[C@H]([NH2+]CC(N)=O)CN1C(=O)CCc1[nH]cc[nH+]1 ZINC000988746866 659553678 /nfs/dbraw/zinc/55/36/78/659553678.db2.gz XHKSNKIOVFFJQA-ZJUUUORDSA-N 2 2 279.344 -0.593 20 0 CBADLP C[C@H]1C[C@@H]([NH2+]CCO)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC000989492223 659590052 /nfs/dbraw/zinc/59/00/52/659590052.db2.gz LOJFREMSAATCSX-GXSJLCMTSA-N 2 2 252.318 -0.477 20 0 CBADLP CNC(=O)C[N@@H+]1CCCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000989491455 659590193 /nfs/dbraw/zinc/59/01/93/659590193.db2.gz YRKMHXAEYOZCGI-UHFFFAOYSA-N 2 2 294.399 -0.638 20 0 CBADLP CNC(=O)C[N@H+]1CCCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000989491455 659590199 /nfs/dbraw/zinc/59/01/99/659590199.db2.gz YRKMHXAEYOZCGI-UHFFFAOYSA-N 2 2 294.399 -0.638 20 0 CBADLP C[C@H]1C[C@H]([NH2+]CC(N)=O)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC000989613118 659603592 /nfs/dbraw/zinc/60/35/92/659603592.db2.gz PVWFFBRLMCVLSF-IUCAKERBSA-N 2 2 265.317 -0.984 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC000989660777 659605374 /nfs/dbraw/zinc/60/53/74/659605374.db2.gz BHYQBSCJPFTZOY-VXGBXAGGSA-N 2 2 282.388 -0.654 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC000989660777 659605391 /nfs/dbraw/zinc/60/53/91/659605391.db2.gz BHYQBSCJPFTZOY-VXGBXAGGSA-N 2 2 282.388 -0.654 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000989660777 659605398 /nfs/dbraw/zinc/60/53/98/659605398.db2.gz BHYQBSCJPFTZOY-VXGBXAGGSA-N 2 2 282.388 -0.654 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000989660777 659605406 /nfs/dbraw/zinc/60/54/06/659605406.db2.gz BHYQBSCJPFTZOY-VXGBXAGGSA-N 2 2 282.388 -0.654 20 0 CBADLP C[C@H](O)C[N@@H+]1CCCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000989787239 659613957 /nfs/dbraw/zinc/61/39/57/659613957.db2.gz LNOBAPNWEMGJMG-LBPRGKRZSA-N 2 2 266.345 -0.202 20 0 CBADLP C[C@H](O)C[N@H+]1CCCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000989787239 659613961 /nfs/dbraw/zinc/61/39/61/659613961.db2.gz LNOBAPNWEMGJMG-LBPRGKRZSA-N 2 2 266.345 -0.202 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@]12CCC[C@H]1[NH+](CC(N)=O)CC2 ZINC000990025273 659647059 /nfs/dbraw/zinc/64/70/59/659647059.db2.gz IFFLUSMQYFPZOF-JMSVASOKSA-N 2 2 294.399 -0.321 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@]12CCC[C@H]1[NH+](CC(N)=O)CC2 ZINC000990025273 659647064 /nfs/dbraw/zinc/64/70/64/659647064.db2.gz IFFLUSMQYFPZOF-JMSVASOKSA-N 2 2 294.399 -0.321 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)N[C@]12CCC[C@H]1[N@H+](CC(N)=O)CC2 ZINC000990025273 659647068 /nfs/dbraw/zinc/64/70/68/659647068.db2.gz IFFLUSMQYFPZOF-JMSVASOKSA-N 2 2 294.399 -0.321 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)N[C@]12CCC[C@H]1[N@@H+](CC(N)=O)CC2 ZINC000990025273 659647079 /nfs/dbraw/zinc/64/70/79/659647079.db2.gz IFFLUSMQYFPZOF-JMSVASOKSA-N 2 2 294.399 -0.321 20 0 CBADLP Cc1[nH+]ccn1CCC[N@@H+]1CCN2[C@@H](CNS2(=O)=O)C1 ZINC000933097989 659673233 /nfs/dbraw/zinc/67/32/33/659673233.db2.gz WVONDKPXNJQEBE-LBPRGKRZSA-N 2 2 299.400 -0.584 20 0 CBADLP Cc1[nH+]ccn1CCC[N@H+]1CCN2[C@@H](CNS2(=O)=O)C1 ZINC000933097989 659673247 /nfs/dbraw/zinc/67/32/47/659673247.db2.gz WVONDKPXNJQEBE-LBPRGKRZSA-N 2 2 299.400 -0.584 20 0 CBADLP Cc1[nH+]ccn1CCC[N@@H+]1CCN2[C@H](CNS2(=O)=O)C1 ZINC000933097987 659674978 /nfs/dbraw/zinc/67/49/78/659674978.db2.gz WVONDKPXNJQEBE-GFCCVEGCSA-N 2 2 299.400 -0.584 20 0 CBADLP Cc1[nH+]ccn1CCC[N@H+]1CCN2[C@H](CNS2(=O)=O)C1 ZINC000933097987 659674989 /nfs/dbraw/zinc/67/49/89/659674989.db2.gz WVONDKPXNJQEBE-GFCCVEGCSA-N 2 2 299.400 -0.584 20 0 CBADLP Cn1nnnc1CC[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC000933734178 659735330 /nfs/dbraw/zinc/73/53/30/659735330.db2.gz NIXOMLNVHGVEOK-PWSUYJOCSA-N 2 2 250.350 -0.364 20 0 CBADLP Cn1nnnc1CC[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC000933734178 659735333 /nfs/dbraw/zinc/73/53/33/659735333.db2.gz NIXOMLNVHGVEOK-PWSUYJOCSA-N 2 2 250.350 -0.364 20 0 CBADLP Cn1nnnc1CC[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC000933734178 659735335 /nfs/dbraw/zinc/73/53/35/659735335.db2.gz NIXOMLNVHGVEOK-PWSUYJOCSA-N 2 2 250.350 -0.364 20 0 CBADLP Cn1nnnc1CC[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC000933734178 659735339 /nfs/dbraw/zinc/73/53/39/659735339.db2.gz NIXOMLNVHGVEOK-PWSUYJOCSA-N 2 2 250.350 -0.364 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000990522221 659757421 /nfs/dbraw/zinc/75/74/21/659757421.db2.gz HAOHFWZRKMPPEC-LBPRGKRZSA-N 2 2 291.355 -0.627 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000990522221 659757431 /nfs/dbraw/zinc/75/74/31/659757431.db2.gz HAOHFWZRKMPPEC-LBPRGKRZSA-N 2 2 291.355 -0.627 20 0 CBADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H]2CO)CC1 ZINC000934027148 659762157 /nfs/dbraw/zinc/76/21/57/659762157.db2.gz RUUKSJNGZDXBHF-LBPRGKRZSA-N 2 2 255.362 -0.347 20 0 CBADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H]2CO)CC1 ZINC000934027148 659762175 /nfs/dbraw/zinc/76/21/75/659762175.db2.gz RUUKSJNGZDXBHF-LBPRGKRZSA-N 2 2 255.362 -0.347 20 0 CBADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@@H]2CO)C1 ZINC000934030020 659763672 /nfs/dbraw/zinc/76/36/72/659763672.db2.gz KUDJTTDQWSNAPY-KGLIPLIRSA-N 2 2 299.415 -0.474 20 0 CBADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@@H]2CO)C1 ZINC000934030020 659763679 /nfs/dbraw/zinc/76/36/79/659763679.db2.gz KUDJTTDQWSNAPY-KGLIPLIRSA-N 2 2 299.415 -0.474 20 0 CBADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CC[C@@H]2CO)C1 ZINC000934030020 659763685 /nfs/dbraw/zinc/76/36/85/659763685.db2.gz KUDJTTDQWSNAPY-KGLIPLIRSA-N 2 2 299.415 -0.474 20 0 CBADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CC[C@@H]2CO)C1 ZINC000934030020 659763690 /nfs/dbraw/zinc/76/36/90/659763690.db2.gz KUDJTTDQWSNAPY-KGLIPLIRSA-N 2 2 299.415 -0.474 20 0 CBADLP CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H]1C ZINC000994408014 659881281 /nfs/dbraw/zinc/88/12/81/659881281.db2.gz MNIAJDWZTSCACB-CHWSQXEVSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H]1C ZINC000994408014 659881283 /nfs/dbraw/zinc/88/12/83/659881283.db2.gz MNIAJDWZTSCACB-CHWSQXEVSA-N 2 2 296.415 -0.203 20 0 CBADLP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]CCO ZINC000939209591 659884255 /nfs/dbraw/zinc/88/42/55/659884255.db2.gz HVGNJKZJNIXPKL-GXSJLCMTSA-N 2 2 252.318 -0.619 20 0 CBADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH2+]CCO ZINC000939395626 659888774 /nfs/dbraw/zinc/88/87/74/659888774.db2.gz BBRMOPCICARZJW-NXEZZACHSA-N 2 2 252.318 -0.619 20 0 CBADLP CC1(C)CN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1[NH2+]CC(N)=O ZINC000995746583 659908086 /nfs/dbraw/zinc/90/80/86/659908086.db2.gz MXELORQDZXBQOD-JTQLQIEISA-N 2 2 293.371 -0.346 20 0 CBADLP CC1(C)CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1[NH2+]CC(N)=O ZINC000995879469 659910932 /nfs/dbraw/zinc/91/09/32/659910932.db2.gz DHCOWGFDHBYVJE-NSHDSACASA-N 2 2 293.371 -0.346 20 0 CBADLP CC1(C)CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1[NH2+]CC(N)=O ZINC000995879469 659910935 /nfs/dbraw/zinc/91/09/35/659910935.db2.gz DHCOWGFDHBYVJE-NSHDSACASA-N 2 2 293.371 -0.346 20 0 CBADLP C[C@@H]1C[N@H+](CCO)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945810869 659943170 /nfs/dbraw/zinc/94/31/70/659943170.db2.gz YDLOFQVGDHIFKB-VXGBXAGGSA-N 2 2 266.345 -0.298 20 0 CBADLP C[C@@H]1C[N@@H+](CCO)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945810869 659943171 /nfs/dbraw/zinc/94/31/71/659943171.db2.gz YDLOFQVGDHIFKB-VXGBXAGGSA-N 2 2 266.345 -0.298 20 0 CBADLP C[C@@H]1C[N@H+](CC(N)=O)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945810427 659943254 /nfs/dbraw/zinc/94/32/54/659943254.db2.gz XPQCAXFWGVIABR-MNOVXSKESA-N 2 2 279.344 -0.805 20 0 CBADLP C[C@@H]1C[N@@H+](CC(N)=O)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945810427 659943256 /nfs/dbraw/zinc/94/32/56/659943256.db2.gz XPQCAXFWGVIABR-MNOVXSKESA-N 2 2 279.344 -0.805 20 0 CBADLP C[C@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)CC[N@@H+]1CC(N)=O ZINC000947928582 659963043 /nfs/dbraw/zinc/96/30/43/659963043.db2.gz CWAOAVPJXXDQRR-WDEREUQCSA-N 2 2 293.371 -0.583 20 0 CBADLP C[C@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)CC[N@H+]1CC(N)=O ZINC000947928582 659963044 /nfs/dbraw/zinc/96/30/44/659963044.db2.gz CWAOAVPJXXDQRR-WDEREUQCSA-N 2 2 293.371 -0.583 20 0 CBADLP O=C(CCn1cc[nH+]c1)N1CC[NH+](CCCO)CC1 ZINC000949557802 659981747 /nfs/dbraw/zinc/98/17/47/659981747.db2.gz HPAOILBKXQZTCW-UHFFFAOYSA-N 2 2 266.345 -0.200 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC001076461919 805577170 /nfs/dbraw/zinc/57/71/70/805577170.db2.gz BJNFHHNAEDZNJM-GXTWGEPZSA-N 2 2 292.383 -0.122 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC001076461919 805577176 /nfs/dbraw/zinc/57/71/76/805577176.db2.gz BJNFHHNAEDZNJM-GXTWGEPZSA-N 2 2 292.383 -0.122 20 0 CBADLP C[C@@H](C(=O)N1CCC([NH3+])CC1)[NH+]1CCN(C)CC1 ZINC000032026181 790320124 /nfs/dbraw/zinc/32/01/24/790320124.db2.gz ZMDNHFFAXFRSDG-NSHDSACASA-N 2 2 254.378 -0.428 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCC3CC3)C[C@H]2O)C1 ZINC001076836918 805636846 /nfs/dbraw/zinc/63/68/46/805636846.db2.gz GAJAYILEUIXZRS-MCIONIFRSA-N 2 2 297.399 -0.722 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CCC3CC3)C[C@H]2O)C1 ZINC001076836918 805636851 /nfs/dbraw/zinc/63/68/51/805636851.db2.gz GAJAYILEUIXZRS-MCIONIFRSA-N 2 2 297.399 -0.722 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCC3CC3)C[C@H]2O)C1 ZINC001076836918 805636854 /nfs/dbraw/zinc/63/68/54/805636854.db2.gz GAJAYILEUIXZRS-MCIONIFRSA-N 2 2 297.399 -0.722 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CCC3CC3)C[C@H]2O)C1 ZINC001076836918 805636857 /nfs/dbraw/zinc/63/68/57/805636857.db2.gz GAJAYILEUIXZRS-MCIONIFRSA-N 2 2 297.399 -0.722 20 0 CBADLP CC(C)(C)[NH+]1CCN(C(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000088371940 790366307 /nfs/dbraw/zinc/36/63/07/790366307.db2.gz WUAOPNVLUARTOZ-NSHDSACASA-N 2 2 255.362 -0.083 20 0 CBADLP CC(C)[C@@](C)([NH2+]C[C@H](O)C[NH+]1CCCC1)C(N)=O ZINC000302626504 790468680 /nfs/dbraw/zinc/46/86/80/790468680.db2.gz BZGPXVUSLHAATH-WCQYABFASA-N 2 2 257.378 -0.067 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CCC[N@@H+](CCO)CC1 ZINC000311239159 790476125 /nfs/dbraw/zinc/47/61/25/790476125.db2.gz VPTNUZYGMVEDAL-UHFFFAOYSA-N 2 2 252.318 -0.590 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CCC[N@H+](CCO)CC1 ZINC000311239159 790476129 /nfs/dbraw/zinc/47/61/29/790476129.db2.gz VPTNUZYGMVEDAL-UHFFFAOYSA-N 2 2 252.318 -0.590 20 0 CBADLP C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]([NH3+])COC(C)(C)C)C1 ZINC000379477600 790510241 /nfs/dbraw/zinc/51/02/41/790510241.db2.gz ZTIBZPIGVPVXNO-QWRGUYRKSA-N 2 2 273.377 -0.424 20 0 CBADLP C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]([NH3+])COC(C)(C)C)C1 ZINC000379477600 790510249 /nfs/dbraw/zinc/51/02/49/790510249.db2.gz ZTIBZPIGVPVXNO-QWRGUYRKSA-N 2 2 273.377 -0.424 20 0 CBADLP O=C(C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1)N1CCCC1 ZINC000388171197 790555376 /nfs/dbraw/zinc/55/53/76/790555376.db2.gz VJPRNVJQIXISBD-CYBMUJFWSA-N 2 2 266.389 -0.412 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000388877080 790558317 /nfs/dbraw/zinc/55/83/17/790558317.db2.gz RRDXHTRPCITSCI-MJBXVCDLSA-N 3 2 273.421 -0.158 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000388877080 790558324 /nfs/dbraw/zinc/55/83/24/790558324.db2.gz RRDXHTRPCITSCI-MJBXVCDLSA-N 3 2 273.421 -0.158 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000388877080 790558335 /nfs/dbraw/zinc/55/83/35/790558335.db2.gz RRDXHTRPCITSCI-MJBXVCDLSA-N 3 2 273.421 -0.158 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000388877080 790558337 /nfs/dbraw/zinc/55/83/37/790558337.db2.gz RRDXHTRPCITSCI-MJBXVCDLSA-N 3 2 273.421 -0.158 20 0 CBADLP CNC(=O)CN1CCC([NH2+][C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000396552779 790582960 /nfs/dbraw/zinc/58/29/60/790582960.db2.gz PMBVDKPFCFQZMO-DGCLKSJQSA-N 2 2 268.405 -0.073 20 0 CBADLP CNC(=O)C[NH+]1CCC(N[C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000396552779 790582968 /nfs/dbraw/zinc/58/29/68/790582968.db2.gz PMBVDKPFCFQZMO-DGCLKSJQSA-N 2 2 268.405 -0.073 20 0 CBADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1CC[C@@H](O)[C@H](CO)C1 ZINC000396883552 790589168 /nfs/dbraw/zinc/58/91/68/790589168.db2.gz MJFDMJCIHFCGFL-RWMBFGLXSA-N 2 2 260.378 -0.636 20 0 CBADLP CC[NH+](CC)C[C@H](O)C[N@H+]1CC[C@@H](O)[C@H](CO)C1 ZINC000396883552 790589173 /nfs/dbraw/zinc/58/91/73/790589173.db2.gz MJFDMJCIHFCGFL-RWMBFGLXSA-N 2 2 260.378 -0.636 20 0 CBADLP C[N@@H+]1CCN(CCC[NH+]2CCOCC2)C[C@@H]1CO ZINC000687588407 790653517 /nfs/dbraw/zinc/65/35/17/790653517.db2.gz AOMUOZJEEMUREQ-CYBMUJFWSA-N 2 2 257.378 -0.683 20 0 CBADLP C[N@H+]1CCN(CCC[NH+]2CCOCC2)C[C@@H]1CO ZINC000687588407 790653520 /nfs/dbraw/zinc/65/35/20/790653520.db2.gz AOMUOZJEEMUREQ-CYBMUJFWSA-N 2 2 257.378 -0.683 20 0 CBADLP C[C@@H]1C[N@@H+](CCN2CC[NH+](C)[C@H](CO)C2)C[C@H](C)O1 ZINC000687595327 790658709 /nfs/dbraw/zinc/65/87/09/790658709.db2.gz YWDHLEBVDQONEQ-MJBXVCDLSA-N 2 2 271.405 -0.296 20 0 CBADLP C[C@@H]1C[N@H+](CCN2CC[NH+](C)[C@H](CO)C2)C[C@H](C)O1 ZINC000687595327 790658758 /nfs/dbraw/zinc/65/87/58/790658758.db2.gz YWDHLEBVDQONEQ-MJBXVCDLSA-N 2 2 271.405 -0.296 20 0 CBADLP C[C@@H]1C[NH+](CCN2CC[N@H+](C)[C@H](CO)C2)C[C@H](C)O1 ZINC000687595327 790658765 /nfs/dbraw/zinc/65/87/65/790658765.db2.gz YWDHLEBVDQONEQ-MJBXVCDLSA-N 2 2 271.405 -0.296 20 0 CBADLP C[C@@H]1C[NH+](CCN2CC[N@@H+](C)[C@H](CO)C2)C[C@H](C)O1 ZINC000687595327 790658770 /nfs/dbraw/zinc/65/87/70/790658770.db2.gz YWDHLEBVDQONEQ-MJBXVCDLSA-N 2 2 271.405 -0.296 20 0 CBADLP C[C@H]1CC[C@H](N2CC[NH+](CC(=O)N(C)C)CC2)C[NH2+]1 ZINC000700800780 790711650 /nfs/dbraw/zinc/71/16/50/790711650.db2.gz HRKVBSFAVSFFBN-STQMWFEESA-N 2 2 268.405 -0.167 20 0 CBADLP CC[C@H]1COC[C@@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000699878610 790707503 /nfs/dbraw/zinc/70/75/03/790707503.db2.gz MOCLYEJYHMLFDE-RYUDHWBXSA-N 2 2 255.362 -0.225 20 0 CBADLP C[C@H]1C[C@H](N2CC[NH+](CC(=O)N(C)C)CC2)CC[NH2+]1 ZINC000700800032 790709770 /nfs/dbraw/zinc/70/97/70/790709770.db2.gz BTNOTLYAMRYHTN-QWHCGFSZSA-N 2 2 268.405 -0.167 20 0 CBADLP C[N@H+](C[C@@H](O)CO)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000711820484 790747370 /nfs/dbraw/zinc/74/73/70/790747370.db2.gz JMRYDHTZPUVLAP-CVEARBPZSA-N 2 2 294.395 -0.092 20 0 CBADLP C[N@@H+](C[C@@H](O)CO)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000711820484 790747389 /nfs/dbraw/zinc/74/73/89/790747389.db2.gz JMRYDHTZPUVLAP-CVEARBPZSA-N 2 2 294.395 -0.092 20 0 CBADLP C[NH+](C[C@@H](O)CO)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000711820484 790747399 /nfs/dbraw/zinc/74/73/99/790747399.db2.gz JMRYDHTZPUVLAP-CVEARBPZSA-N 2 2 294.395 -0.092 20 0 CBADLP C[NH+](C[C@@H](O)CO)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000711820484 790747409 /nfs/dbraw/zinc/74/74/09/790747409.db2.gz JMRYDHTZPUVLAP-CVEARBPZSA-N 2 2 294.395 -0.092 20 0 CBADLP CC(C)(CNC(=O)[C@@H]1C[C@@H]1C[NH3+])[NH+]1CCOCC1 ZINC000715112157 790752042 /nfs/dbraw/zinc/75/20/42/790752042.db2.gz AAKNFVCQOSOEHJ-GHMZBOCLSA-N 2 2 255.362 -0.192 20 0 CBADLP Cc1cc(C(=O)NCC[NH+]2CCC([NH3+])CC2)[nH]n1 ZINC000716629964 790753144 /nfs/dbraw/zinc/75/31/44/790753144.db2.gz KACAWBBULFVBCK-UHFFFAOYSA-N 2 2 251.334 -0.129 20 0 CBADLP C[C@H]1CO[C@@H](C(=O)NCC[NH+]2CCC([NH3+])CC2)C1 ZINC000718450127 790761210 /nfs/dbraw/zinc/76/12/10/790761210.db2.gz VPQXYEGWDOLEIL-ZYHUDNBSSA-N 2 2 255.362 -0.049 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000721011363 790776259 /nfs/dbraw/zinc/77/62/59/790776259.db2.gz BRMBXZDLKLYABE-FVCCEPFGSA-N 2 2 267.373 -0.321 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000723844589 790801849 /nfs/dbraw/zinc/80/18/49/790801849.db2.gz QKQPGCYZVKIOMP-JHJVBQTASA-N 3 2 259.394 -0.548 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000723844589 790801864 /nfs/dbraw/zinc/80/18/64/790801864.db2.gz QKQPGCYZVKIOMP-JHJVBQTASA-N 3 2 259.394 -0.548 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000723844589 790801878 /nfs/dbraw/zinc/80/18/78/790801878.db2.gz QKQPGCYZVKIOMP-JHJVBQTASA-N 3 2 259.394 -0.548 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000723844589 790801894 /nfs/dbraw/zinc/80/18/94/790801894.db2.gz QKQPGCYZVKIOMP-JHJVBQTASA-N 3 2 259.394 -0.548 20 0 CBADLP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CC[NH+](CCO)C(C)(C)C1 ZINC000828760380 790894508 /nfs/dbraw/zinc/89/45/08/790894508.db2.gz BUCBZTOGEJHYOX-SWLSCSKDSA-N 2 2 299.415 -0.643 20 0 CBADLP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CC[NH+](CCO)C(C)(C)C1 ZINC000828760380 790894520 /nfs/dbraw/zinc/89/45/20/790894520.db2.gz BUCBZTOGEJHYOX-SWLSCSKDSA-N 2 2 299.415 -0.643 20 0 CBADLP C[NH+]1C[C@@H](O)C[C@]1(C)C(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000828760380 790894529 /nfs/dbraw/zinc/89/45/29/790894529.db2.gz BUCBZTOGEJHYOX-SWLSCSKDSA-N 2 2 299.415 -0.643 20 0 CBADLP C[NH+]1C[C@@H](O)C[C@]1(C)C(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000828760380 790894541 /nfs/dbraw/zinc/89/45/41/790894541.db2.gz BUCBZTOGEJHYOX-SWLSCSKDSA-N 2 2 299.415 -0.643 20 0 CBADLP O=C(N[C@H]1C[C@@H]([NH2+]CCO)C1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001022311733 791003731 /nfs/dbraw/zinc/00/37/31/791003731.db2.gz WUDLTXCZOXYYNC-UTUOFQBUSA-N 2 2 278.356 -0.325 20 0 CBADLP O=C(N[C@H]1C[C@@H]([NH2+]CCO)C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001022315822 791004282 /nfs/dbraw/zinc/00/42/82/791004282.db2.gz VTKYNFHNDHETOP-UTUOFQBUSA-N 2 2 278.356 -0.325 20 0 CBADLP NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001022311758 791004627 /nfs/dbraw/zinc/00/46/27/791004627.db2.gz XJBIAURIQONLLU-MXWKQRLJSA-N 2 2 291.355 -0.832 20 0 CBADLP Cn1cncc1C[NH2+]CCNC(=O)Cc1c[nH+]cn1C ZINC001147899999 814924293 /nfs/dbraw/zinc/92/42/93/814924293.db2.gz GFRICZFFVKFAQJ-UHFFFAOYSA-N 2 2 276.344 -0.398 20 0 CBADLP COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001077235936 805705397 /nfs/dbraw/zinc/70/53/97/805705397.db2.gz AZPQKLSYBAOUEX-FRRDWIJNSA-N 2 2 285.388 -0.722 20 0 CBADLP COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001077235936 805705404 /nfs/dbraw/zinc/70/54/04/805705404.db2.gz AZPQKLSYBAOUEX-FRRDWIJNSA-N 2 2 285.388 -0.722 20 0 CBADLP COCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001077235936 805705412 /nfs/dbraw/zinc/70/54/12/805705412.db2.gz AZPQKLSYBAOUEX-FRRDWIJNSA-N 2 2 285.388 -0.722 20 0 CBADLP COCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001077235936 805705417 /nfs/dbraw/zinc/70/54/17/805705417.db2.gz AZPQKLSYBAOUEX-FRRDWIJNSA-N 2 2 285.388 -0.722 20 0 CBADLP CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001077260389 805707503 /nfs/dbraw/zinc/70/75/03/805707503.db2.gz FEHUQXAGLPWCCI-RAIGVLPGSA-N 2 2 278.356 -0.373 20 0 CBADLP CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001077260389 805707509 /nfs/dbraw/zinc/70/75/09/805707509.db2.gz FEHUQXAGLPWCCI-RAIGVLPGSA-N 2 2 278.356 -0.373 20 0 CBADLP CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001077258999 805707912 /nfs/dbraw/zinc/70/79/12/805707912.db2.gz FJTPERBNHNSIMY-QJPTWQEYSA-N 2 2 278.356 -0.373 20 0 CBADLP CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001077258999 805707914 /nfs/dbraw/zinc/70/79/14/805707914.db2.gz FJTPERBNHNSIMY-QJPTWQEYSA-N 2 2 278.356 -0.373 20 0 CBADLP O=C(N[C@@H]1C[N@H+](CCO)C[C@H]1O)c1ccn2c[nH+]cc2c1 ZINC001077308748 805716312 /nfs/dbraw/zinc/71/63/12/805716312.db2.gz KFSVDVUJYGDTMN-CHWSQXEVSA-N 2 2 290.323 -0.899 20 0 CBADLP O=C(N[C@@H]1C[N@@H+](CCO)C[C@H]1O)c1ccn2c[nH+]cc2c1 ZINC001077308748 805716318 /nfs/dbraw/zinc/71/63/18/805716318.db2.gz KFSVDVUJYGDTMN-CHWSQXEVSA-N 2 2 290.323 -0.899 20 0 CBADLP C[C@H](F)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001078009656 805823628 /nfs/dbraw/zinc/82/36/28/805823628.db2.gz LTWSIWFYZWASQF-CYZMBNFOSA-N 2 2 298.362 -0.128 20 0 CBADLP C[C@H](F)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001078009656 805823637 /nfs/dbraw/zinc/82/36/37/805823637.db2.gz LTWSIWFYZWASQF-CYZMBNFOSA-N 2 2 298.362 -0.128 20 0 CBADLP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCF)C[C@H]2O)C1 ZINC001078175108 805849182 /nfs/dbraw/zinc/84/91/82/805849182.db2.gz WJEWSNGXSXWTHW-HBNTYKKESA-N 2 2 259.325 -0.931 20 0 CBADLP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCF)C[C@H]2O)C1 ZINC001078175108 805849192 /nfs/dbraw/zinc/84/91/92/805849192.db2.gz WJEWSNGXSXWTHW-HBNTYKKESA-N 2 2 259.325 -0.931 20 0 CBADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCF)C[C@H]2O)C1 ZINC001078175108 805849201 /nfs/dbraw/zinc/84/92/01/805849201.db2.gz WJEWSNGXSXWTHW-HBNTYKKESA-N 2 2 259.325 -0.931 20 0 CBADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCF)C[C@H]2O)C1 ZINC001078175108 805849211 /nfs/dbraw/zinc/84/92/11/805849211.db2.gz WJEWSNGXSXWTHW-HBNTYKKESA-N 2 2 259.325 -0.931 20 0 CBADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCO)C[C@H]1O ZINC001078229272 805860960 /nfs/dbraw/zinc/86/09/60/805860960.db2.gz AEOBPPWQHRCSQQ-JHJVBQTASA-N 2 2 285.388 -0.986 20 0 CBADLP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCO)C[C@H]1O ZINC001078229272 805860970 /nfs/dbraw/zinc/86/09/70/805860970.db2.gz AEOBPPWQHRCSQQ-JHJVBQTASA-N 2 2 285.388 -0.986 20 0 CBADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001078229272 805860979 /nfs/dbraw/zinc/86/09/79/805860979.db2.gz AEOBPPWQHRCSQQ-JHJVBQTASA-N 2 2 285.388 -0.986 20 0 CBADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001078229272 805860990 /nfs/dbraw/zinc/86/09/90/805860990.db2.gz AEOBPPWQHRCSQQ-JHJVBQTASA-N 2 2 285.388 -0.986 20 0 CBADLP CC(C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001078272285 805866263 /nfs/dbraw/zinc/86/62/63/805866263.db2.gz PTQYHIRMDKYAAN-GHMZBOCLSA-N 2 2 252.318 -0.547 20 0 CBADLP CC(C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001078272285 805866271 /nfs/dbraw/zinc/86/62/71/805866271.db2.gz PTQYHIRMDKYAAN-GHMZBOCLSA-N 2 2 252.318 -0.547 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1C[C@@H]([NH2+]CCO)C12CCC2 ZINC001078734781 805889344 /nfs/dbraw/zinc/88/93/44/805889344.db2.gz VIKFSVXSPUDXTC-NEPJUHHUSA-N 2 2 278.356 -0.039 20 0 CBADLP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001079494894 805920436 /nfs/dbraw/zinc/92/04/36/805920436.db2.gz RCCJBIZQDOKIMM-GMTAPVOTSA-N 2 2 268.361 -0.998 20 0 CBADLP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001079494894 805920442 /nfs/dbraw/zinc/92/04/42/805920442.db2.gz RCCJBIZQDOKIMM-GMTAPVOTSA-N 2 2 268.361 -0.998 20 0 CBADLP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC001079494894 805920449 /nfs/dbraw/zinc/92/04/49/805920449.db2.gz RCCJBIZQDOKIMM-GMTAPVOTSA-N 2 2 268.361 -0.998 20 0 CBADLP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001079494894 805920452 /nfs/dbraw/zinc/92/04/52/805920452.db2.gz RCCJBIZQDOKIMM-GMTAPVOTSA-N 2 2 268.361 -0.998 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1C ZINC001080852407 806011798 /nfs/dbraw/zinc/01/17/98/806011798.db2.gz BQUZVFAJARAHGU-BXKDBHETSA-N 2 2 266.345 -0.311 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1C ZINC001080852407 806011806 /nfs/dbraw/zinc/01/18/06/806011806.db2.gz BQUZVFAJARAHGU-BXKDBHETSA-N 2 2 266.345 -0.311 20 0 CBADLP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001080943226 806017573 /nfs/dbraw/zinc/01/75/73/806017573.db2.gz WYJCRSHSQLHNEC-GHMZBOCLSA-N 2 2 268.361 -0.996 20 0 CBADLP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001080943226 806017581 /nfs/dbraw/zinc/01/75/81/806017581.db2.gz WYJCRSHSQLHNEC-GHMZBOCLSA-N 2 2 268.361 -0.996 20 0 CBADLP CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001080941198 806017897 /nfs/dbraw/zinc/01/78/97/806017897.db2.gz WUYBNSNRFTZZJR-VXGBXAGGSA-N 2 2 282.388 -0.735 20 0 CBADLP CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001080941198 806017906 /nfs/dbraw/zinc/01/79/06/806017906.db2.gz WUYBNSNRFTZZJR-VXGBXAGGSA-N 2 2 282.388 -0.735 20 0 CBADLP COCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001081445895 806083306 /nfs/dbraw/zinc/08/33/06/806083306.db2.gz GFSXOGGLNPTEDW-FRRDWIJNSA-N 2 2 285.388 -0.458 20 0 CBADLP COCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001081445895 806083318 /nfs/dbraw/zinc/08/33/18/806083318.db2.gz GFSXOGGLNPTEDW-FRRDWIJNSA-N 2 2 285.388 -0.458 20 0 CBADLP COCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)[C@H](OC)C1 ZINC001081445895 806083327 /nfs/dbraw/zinc/08/33/27/806083327.db2.gz GFSXOGGLNPTEDW-FRRDWIJNSA-N 2 2 285.388 -0.458 20 0 CBADLP COCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)[C@H](OC)C1 ZINC001081445895 806083335 /nfs/dbraw/zinc/08/33/35/806083335.db2.gz GFSXOGGLNPTEDW-FRRDWIJNSA-N 2 2 285.388 -0.458 20 0 CBADLP CC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@H](OC)C1 ZINC001081481301 806087485 /nfs/dbraw/zinc/08/74/85/806087485.db2.gz DBINMHRJUKSLGS-IJLUTSLNSA-N 2 2 271.361 -0.848 20 0 CBADLP CC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@H](OC)C1 ZINC001081481301 806087495 /nfs/dbraw/zinc/08/74/95/806087495.db2.gz DBINMHRJUKSLGS-IJLUTSLNSA-N 2 2 271.361 -0.848 20 0 CBADLP CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)[C@H](OC)C1 ZINC001081481301 806087503 /nfs/dbraw/zinc/08/75/03/806087503.db2.gz DBINMHRJUKSLGS-IJLUTSLNSA-N 2 2 271.361 -0.848 20 0 CBADLP CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)[C@H](OC)C1 ZINC001081481301 806087512 /nfs/dbraw/zinc/08/75/12/806087512.db2.gz DBINMHRJUKSLGS-IJLUTSLNSA-N 2 2 271.361 -0.848 20 0 CBADLP CCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@H](OC)C1 ZINC001081481821 806088688 /nfs/dbraw/zinc/08/86/88/806088688.db2.gz XAEMRZCBRHPXEH-MGPQQGTHSA-N 2 2 299.415 -0.068 20 0 CBADLP CCCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@H](OC)C1 ZINC001081481821 806088697 /nfs/dbraw/zinc/08/86/97/806088697.db2.gz XAEMRZCBRHPXEH-MGPQQGTHSA-N 2 2 299.415 -0.068 20 0 CBADLP CCCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)[C@H](OC)C1 ZINC001081481821 806088707 /nfs/dbraw/zinc/08/87/07/806088707.db2.gz XAEMRZCBRHPXEH-MGPQQGTHSA-N 2 2 299.415 -0.068 20 0 CBADLP CCCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)[C@H](OC)C1 ZINC001081481821 806088717 /nfs/dbraw/zinc/08/87/17/806088717.db2.gz XAEMRZCBRHPXEH-MGPQQGTHSA-N 2 2 299.415 -0.068 20 0 CBADLP CO[C@@H]1C[N@H+](C[C@@H](C)O)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001082394999 806173507 /nfs/dbraw/zinc/17/35/07/806173507.db2.gz QKKSEHLUKYNPOG-IJLUTSLNSA-N 2 2 282.344 -0.921 20 0 CBADLP CO[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001082394999 806173511 /nfs/dbraw/zinc/17/35/11/806173511.db2.gz QKKSEHLUKYNPOG-IJLUTSLNSA-N 2 2 282.344 -0.921 20 0 CBADLP CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](OC)C1 ZINC001082394964 806172737 /nfs/dbraw/zinc/17/27/37/806172737.db2.gz OWAHELHFSVDORX-YNEHKIRRSA-N 2 2 296.371 -0.267 20 0 CBADLP CO[C@@H](C)C[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](OC)C1 ZINC001082394964 806172743 /nfs/dbraw/zinc/17/27/43/806172743.db2.gz OWAHELHFSVDORX-YNEHKIRRSA-N 2 2 296.371 -0.267 20 0 CBADLP C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1[NH2+]CCO ZINC001082492244 806182337 /nfs/dbraw/zinc/18/23/37/806182337.db2.gz MGJOAEHYVWNUKO-GHMZBOCLSA-N 2 2 266.345 -0.229 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1[NH2+]CCO ZINC001082572694 806186335 /nfs/dbraw/zinc/18/63/35/806186335.db2.gz SDJCTSOUPQOQIV-PRULPYPASA-N 2 2 278.356 -0.058 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1[NH2+]CCO ZINC001082572694 806186338 /nfs/dbraw/zinc/18/63/38/806186338.db2.gz SDJCTSOUPQOQIV-PRULPYPASA-N 2 2 278.356 -0.058 20 0 CBADLP C[C@H]([NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C)C(N)=O ZINC001082766746 806193166 /nfs/dbraw/zinc/19/31/66/806193166.db2.gz WGRHPHSKVLHCPD-WCABBAIRSA-N 2 2 279.344 -0.738 20 0 CBADLP CC[C@@H]([NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C)C(N)=O ZINC001082767157 806193436 /nfs/dbraw/zinc/19/34/36/806193436.db2.gz YWEDFFJRZFGPHG-YUSALJHKSA-N 2 2 293.371 -0.347 20 0 CBADLP COCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCC[NH+]3C)[C@H]2C1 ZINC001083023425 806215620 /nfs/dbraw/zinc/21/56/20/806215620.db2.gz BMQOCBAKKTVHRK-HZSPNIEDSA-N 2 2 297.399 -0.361 20 0 CBADLP COCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCC[NH+]3C)[C@H]2C1 ZINC001083023425 806215624 /nfs/dbraw/zinc/21/56/24/806215624.db2.gz BMQOCBAKKTVHRK-HZSPNIEDSA-N 2 2 297.399 -0.361 20 0 CBADLP COCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CCC[N@@H+]3C)[C@H]2C1 ZINC001083023425 806215628 /nfs/dbraw/zinc/21/56/28/806215628.db2.gz BMQOCBAKKTVHRK-HZSPNIEDSA-N 2 2 297.399 -0.361 20 0 CBADLP COCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CCC[N@H+]3C)[C@H]2C1 ZINC001083023425 806215631 /nfs/dbraw/zinc/21/56/31/806215631.db2.gz BMQOCBAKKTVHRK-HZSPNIEDSA-N 2 2 297.399 -0.361 20 0 CBADLP CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+](CC)CCO3)[C@H]2C1 ZINC001083280663 806245389 /nfs/dbraw/zinc/24/53/89/806245389.db2.gz AMZFPZOVQKJGEM-MJBXVCDLSA-N 2 2 297.399 -0.361 20 0 CBADLP CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+](CC)CCO3)[C@H]2C1 ZINC001083280663 806245392 /nfs/dbraw/zinc/24/53/92/806245392.db2.gz AMZFPZOVQKJGEM-MJBXVCDLSA-N 2 2 297.399 -0.361 20 0 CBADLP CC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)[C@H]2C1 ZINC001083280663 806245396 /nfs/dbraw/zinc/24/53/96/806245396.db2.gz AMZFPZOVQKJGEM-MJBXVCDLSA-N 2 2 297.399 -0.361 20 0 CBADLP CC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)[C@H]2C1 ZINC001083280663 806245399 /nfs/dbraw/zinc/24/53/99/806245399.db2.gz AMZFPZOVQKJGEM-MJBXVCDLSA-N 2 2 297.399 -0.361 20 0 CBADLP CC(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@@H](O)C1 ZINC001083385664 806297157 /nfs/dbraw/zinc/29/71/57/806297157.db2.gz VCBSZYHTGDRFBU-FRRDWIJNSA-N 2 2 285.388 -0.866 20 0 CBADLP CC(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@@H](O)C1 ZINC001083385664 806297163 /nfs/dbraw/zinc/29/71/63/806297163.db2.gz VCBSZYHTGDRFBU-FRRDWIJNSA-N 2 2 285.388 -0.866 20 0 CBADLP CC(C)C[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)[C@@H](O)C1 ZINC001083385664 806297169 /nfs/dbraw/zinc/29/71/69/806297169.db2.gz VCBSZYHTGDRFBU-FRRDWIJNSA-N 2 2 285.388 -0.866 20 0 CBADLP CC(C)C[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)[C@@H](O)C1 ZINC001083385664 806297174 /nfs/dbraw/zinc/29/71/74/806297174.db2.gz VCBSZYHTGDRFBU-FRRDWIJNSA-N 2 2 285.388 -0.866 20 0 CBADLP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@H+](CCF)C[C@@H]2O)CC1 ZINC001083833660 806441362 /nfs/dbraw/zinc/44/13/62/806441362.db2.gz OOOGEJQNBULONH-OLZOCXBDSA-N 2 2 287.379 -0.151 20 0 CBADLP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@@H+](CCF)C[C@@H]2O)CC1 ZINC001083833660 806441368 /nfs/dbraw/zinc/44/13/68/806441368.db2.gz OOOGEJQNBULONH-OLZOCXBDSA-N 2 2 287.379 -0.151 20 0 CBADLP CC[C@H](F)C[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001083959382 806470555 /nfs/dbraw/zinc/47/05/55/806470555.db2.gz TZXFEMZVUQTHND-XQQFMLRXSA-N 2 2 299.390 -0.008 20 0 CBADLP CC[C@H](F)C[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001083959382 806470558 /nfs/dbraw/zinc/47/05/58/806470558.db2.gz TZXFEMZVUQTHND-XQQFMLRXSA-N 2 2 299.390 -0.008 20 0 CBADLP CC[C@@H](F)C[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001084057369 806482274 /nfs/dbraw/zinc/48/22/74/806482274.db2.gz HNADOVCFZWTSKF-UPJWGTAASA-N 2 2 287.379 -0.008 20 0 CBADLP CC[C@@H](F)C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001084057369 806482278 /nfs/dbraw/zinc/48/22/78/806482278.db2.gz HNADOVCFZWTSKF-UPJWGTAASA-N 2 2 287.379 -0.008 20 0 CBADLP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCO)C[C@@H]1O ZINC001084091517 806488492 /nfs/dbraw/zinc/48/84/92/806488492.db2.gz AEOBPPWQHRCSQQ-AGIUHOORSA-N 2 2 285.388 -0.986 20 0 CBADLP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCO)C[C@@H]1O ZINC001084091517 806488496 /nfs/dbraw/zinc/48/84/96/806488496.db2.gz AEOBPPWQHRCSQQ-AGIUHOORSA-N 2 2 285.388 -0.986 20 0 CBADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001084091517 806488502 /nfs/dbraw/zinc/48/85/02/806488502.db2.gz AEOBPPWQHRCSQQ-AGIUHOORSA-N 2 2 285.388 -0.986 20 0 CBADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001084091517 806488504 /nfs/dbraw/zinc/48/85/04/806488504.db2.gz AEOBPPWQHRCSQQ-AGIUHOORSA-N 2 2 285.388 -0.986 20 0 CBADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCO)C[C@@H]1O ZINC001084091541 806488954 /nfs/dbraw/zinc/48/89/54/806488954.db2.gz CBVOIXIFFIXLLC-MCIONIFRSA-N 2 2 299.415 -0.596 20 0 CBADLP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCO)C[C@@H]1O ZINC001084091541 806488959 /nfs/dbraw/zinc/48/89/59/806488959.db2.gz CBVOIXIFFIXLLC-MCIONIFRSA-N 2 2 299.415 -0.596 20 0 CBADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001084091541 806488966 /nfs/dbraw/zinc/48/89/66/806488966.db2.gz CBVOIXIFFIXLLC-MCIONIFRSA-N 2 2 299.415 -0.596 20 0 CBADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001084091541 806488973 /nfs/dbraw/zinc/48/89/73/806488973.db2.gz CBVOIXIFFIXLLC-MCIONIFRSA-N 2 2 299.415 -0.596 20 0 CBADLP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCO)C[C@@H]1O ZINC001084091542 806489269 /nfs/dbraw/zinc/48/92/69/806489269.db2.gz CBVOIXIFFIXLLC-RDBSUJKOSA-N 2 2 299.415 -0.596 20 0 CBADLP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCO)C[C@@H]1O ZINC001084091542 806489275 /nfs/dbraw/zinc/48/92/75/806489275.db2.gz CBVOIXIFFIXLLC-RDBSUJKOSA-N 2 2 299.415 -0.596 20 0 CBADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001084091542 806489282 /nfs/dbraw/zinc/48/92/82/806489282.db2.gz CBVOIXIFFIXLLC-RDBSUJKOSA-N 2 2 299.415 -0.596 20 0 CBADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001084091542 806489288 /nfs/dbraw/zinc/48/92/88/806489288.db2.gz CBVOIXIFFIXLLC-RDBSUJKOSA-N 2 2 299.415 -0.596 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@@H]1O ZINC001084115246 806490961 /nfs/dbraw/zinc/49/09/61/806490961.db2.gz BPTHTHGPJGIRAN-XQQFMLRXSA-N 2 2 294.355 -0.919 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@@H]1O ZINC001084115246 806490965 /nfs/dbraw/zinc/49/09/65/806490965.db2.gz BPTHTHGPJGIRAN-XQQFMLRXSA-N 2 2 294.355 -0.919 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3CC[NH+](CCCO)C[C@H]32)C1 ZINC001084252436 806507192 /nfs/dbraw/zinc/50/71/92/806507192.db2.gz ZNTBXZUGPLGBRW-MGPQQGTHSA-N 2 2 297.399 -0.768 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3CC[NH+](CCCO)C[C@H]32)C1 ZINC001084252436 806507194 /nfs/dbraw/zinc/50/71/94/806507194.db2.gz ZNTBXZUGPLGBRW-MGPQQGTHSA-N 2 2 297.399 -0.768 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)N2C[C@H]3CC[N@H+](CCCO)C[C@H]32)C1 ZINC001084252436 806507199 /nfs/dbraw/zinc/50/71/99/806507199.db2.gz ZNTBXZUGPLGBRW-MGPQQGTHSA-N 2 2 297.399 -0.768 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)N2C[C@H]3CC[N@@H+](CCCO)C[C@H]32)C1 ZINC001084252436 806507205 /nfs/dbraw/zinc/50/72/05/806507205.db2.gz ZNTBXZUGPLGBRW-MGPQQGTHSA-N 2 2 297.399 -0.768 20 0 CBADLP C[C@@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001084687035 806533780 /nfs/dbraw/zinc/53/37/80/806533780.db2.gz HTZIRTYMBXYHAV-NQBHXWOUSA-N 2 2 278.356 -0.134 20 0 CBADLP C[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001084687035 806533788 /nfs/dbraw/zinc/53/37/88/806533788.db2.gz HTZIRTYMBXYHAV-NQBHXWOUSA-N 2 2 278.356 -0.134 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(N)=O ZINC001085394482 806555489 /nfs/dbraw/zinc/55/54/89/806555489.db2.gz NDWVHHLMLDLHMX-VXGBXAGGSA-N 2 2 293.371 -0.535 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001085604586 806585409 /nfs/dbraw/zinc/58/54/09/806585409.db2.gz MCIXQZVMGPUBPE-FRRDWIJNSA-N 2 2 296.415 -0.395 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001085604586 806585415 /nfs/dbraw/zinc/58/54/15/806585415.db2.gz MCIXQZVMGPUBPE-FRRDWIJNSA-N 2 2 296.415 -0.395 20 0 CBADLP CNC(=O)C[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001085604586 806585423 /nfs/dbraw/zinc/58/54/23/806585423.db2.gz MCIXQZVMGPUBPE-FRRDWIJNSA-N 2 2 296.415 -0.395 20 0 CBADLP CNC(=O)C[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001085604586 806585426 /nfs/dbraw/zinc/58/54/26/806585426.db2.gz MCIXQZVMGPUBPE-FRRDWIJNSA-N 2 2 296.415 -0.395 20 0 CBADLP CN(C)C(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001085968852 806626374 /nfs/dbraw/zinc/62/63/74/806626374.db2.gz QOYKCUFOCUINNA-CHWSQXEVSA-N 2 2 296.415 -0.441 20 0 CBADLP CN(C)C(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001085968852 806626380 /nfs/dbraw/zinc/62/63/80/806626380.db2.gz QOYKCUFOCUINNA-CHWSQXEVSA-N 2 2 296.415 -0.441 20 0 CBADLP CN(C)C(=O)C[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001085968852 806626381 /nfs/dbraw/zinc/62/63/81/806626381.db2.gz QOYKCUFOCUINNA-CHWSQXEVSA-N 2 2 296.415 -0.441 20 0 CBADLP CN(C)C(=O)C[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001085968852 806626387 /nfs/dbraw/zinc/62/63/87/806626387.db2.gz QOYKCUFOCUINNA-CHWSQXEVSA-N 2 2 296.415 -0.441 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001022888683 798863602 /nfs/dbraw/zinc/86/36/02/798863602.db2.gz PHGPEQAEEXJASC-AXFHLTTASA-N 2 2 291.355 -0.532 20 0 CBADLP Cn1cnnc1C[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001023158662 798887482 /nfs/dbraw/zinc/88/74/82/798887482.db2.gz BNXJOHBUVCBXHP-PHIMTYICSA-N 2 2 289.343 -0.551 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@@H]([NH2+]Cc2cnon2)C1 ZINC001023161419 798888178 /nfs/dbraw/zinc/88/81/78/798888178.db2.gz YZNJKCFQLHSUBL-AOOOYVTPSA-N 2 2 276.300 -0.297 20 0 CBADLP NC(=O)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]12 ZINC001026365980 799001032 /nfs/dbraw/zinc/00/10/32/799001032.db2.gz DSDHBMJIRSDDAS-ADEWGFFLSA-N 2 2 291.355 -0.736 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]2CC[C@@H]([NH2+]CCO)[C@@H]2C1 ZINC001026389271 799003280 /nfs/dbraw/zinc/00/32/80/799003280.db2.gz ZBECVWDORYZCLA-QJPTWQEYSA-N 2 2 278.356 -0.229 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]2CC[C@H]([NH2+]CCO)[C@@H]2C1 ZINC001026389274 799003348 /nfs/dbraw/zinc/00/33/48/799003348.db2.gz ZBECVWDORYZCLA-TUAOUCFPSA-N 2 2 278.356 -0.229 20 0 CBADLP NC(=O)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]21 ZINC001026388303 799003479 /nfs/dbraw/zinc/00/34/79/799003479.db2.gz LZSSGIINFVFHHM-GARJFASQSA-N 2 2 291.355 -0.736 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001027091953 799030629 /nfs/dbraw/zinc/03/06/29/799030629.db2.gz XBRYKAMHVBWSGF-PWSUYJOCSA-N 2 2 291.355 -0.721 20 0 CBADLP C[N@H+](CC(N)=O)[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001027514651 799052929 /nfs/dbraw/zinc/05/29/29/799052929.db2.gz PKEVPJFIOFSICD-LBPRGKRZSA-N 2 2 293.371 -0.319 20 0 CBADLP C[N@@H+](CC(N)=O)[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001027514651 799052933 /nfs/dbraw/zinc/05/29/33/799052933.db2.gz PKEVPJFIOFSICD-LBPRGKRZSA-N 2 2 293.371 -0.319 20 0 CBADLP C[C@@H](C(N)=O)[N@H+](C)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001027702277 799065673 /nfs/dbraw/zinc/06/56/73/799065673.db2.gz ZYHWITGLSLHHJV-RYUDHWBXSA-N 2 2 293.371 -0.320 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+](C)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001027702277 799065676 /nfs/dbraw/zinc/06/56/76/799065676.db2.gz ZYHWITGLSLHHJV-RYUDHWBXSA-N 2 2 293.371 -0.320 20 0 CBADLP CN(C)C(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001027795247 799077641 /nfs/dbraw/zinc/07/76/41/799077641.db2.gz RPOGLBFLSQARHO-OLZOCXBDSA-N 2 2 296.415 -0.251 20 0 CBADLP CN(C)C(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001027795247 799077650 /nfs/dbraw/zinc/07/76/50/799077650.db2.gz RPOGLBFLSQARHO-OLZOCXBDSA-N 2 2 296.415 -0.251 20 0 CBADLP CN(C)C(=O)C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001027795247 799077656 /nfs/dbraw/zinc/07/76/56/799077656.db2.gz RPOGLBFLSQARHO-OLZOCXBDSA-N 2 2 296.415 -0.251 20 0 CBADLP CN(C)C(=O)C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001027795247 799077665 /nfs/dbraw/zinc/07/76/65/799077665.db2.gz RPOGLBFLSQARHO-OLZOCXBDSA-N 2 2 296.415 -0.251 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CC(N)=O ZINC001027795028 799078263 /nfs/dbraw/zinc/07/82/63/799078263.db2.gz MYXFSWIFIGYBOL-WDEREUQCSA-N 2 2 268.361 -0.854 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CC(N)=O ZINC001027795028 799078270 /nfs/dbraw/zinc/07/82/70/799078270.db2.gz MYXFSWIFIGYBOL-WDEREUQCSA-N 2 2 268.361 -0.854 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC(N)=O ZINC001027795028 799078279 /nfs/dbraw/zinc/07/82/79/799078279.db2.gz MYXFSWIFIGYBOL-WDEREUQCSA-N 2 2 268.361 -0.854 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC(N)=O ZINC001027795028 799078288 /nfs/dbraw/zinc/07/82/88/799078288.db2.gz MYXFSWIFIGYBOL-WDEREUQCSA-N 2 2 268.361 -0.854 20 0 CBADLP CN(C)C(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001027795246 799079389 /nfs/dbraw/zinc/07/93/89/799079389.db2.gz RPOGLBFLSQARHO-CHWSQXEVSA-N 2 2 296.415 -0.251 20 0 CBADLP CN(C)C(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001027795246 799079397 /nfs/dbraw/zinc/07/93/97/799079397.db2.gz RPOGLBFLSQARHO-CHWSQXEVSA-N 2 2 296.415 -0.251 20 0 CBADLP CN(C)C(=O)C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001027795246 799079405 /nfs/dbraw/zinc/07/94/05/799079405.db2.gz RPOGLBFLSQARHO-CHWSQXEVSA-N 2 2 296.415 -0.251 20 0 CBADLP CN(C)C(=O)C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001027795246 799079411 /nfs/dbraw/zinc/07/94/11/799079411.db2.gz RPOGLBFLSQARHO-CHWSQXEVSA-N 2 2 296.415 -0.251 20 0 CBADLP CC[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)C(N)=O)[NH+](C)C ZINC001029356225 799196623 /nfs/dbraw/zinc/19/66/23/799196623.db2.gz FZGRYHPWKVTTBV-WUHRBBMRSA-N 2 2 296.415 -0.124 20 0 CBADLP CC[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(N)=O)[NH+](C)C ZINC001029356225 799196624 /nfs/dbraw/zinc/19/66/24/799196624.db2.gz FZGRYHPWKVTTBV-WUHRBBMRSA-N 2 2 296.415 -0.124 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001030025764 799212729 /nfs/dbraw/zinc/21/27/29/799212729.db2.gz ZJTAIQXCGOAIKN-JHJVBQTASA-N 2 2 296.415 -0.075 20 0 CBADLP CC[C@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001030025764 799212732 /nfs/dbraw/zinc/21/27/32/799212732.db2.gz ZJTAIQXCGOAIKN-JHJVBQTASA-N 2 2 296.415 -0.075 20 0 CBADLP CC[C@H](C(N)=O)[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001030025764 799212736 /nfs/dbraw/zinc/21/27/36/799212736.db2.gz ZJTAIQXCGOAIKN-JHJVBQTASA-N 2 2 296.415 -0.075 20 0 CBADLP CC[C@H](C(N)=O)[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001030025764 799212742 /nfs/dbraw/zinc/21/27/42/799212742.db2.gz ZJTAIQXCGOAIKN-JHJVBQTASA-N 2 2 296.415 -0.075 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001030025730 799213692 /nfs/dbraw/zinc/21/36/92/799213692.db2.gz UKPUUNNQEHFFCQ-QJPTWQEYSA-N 2 2 282.388 -0.465 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001030025730 799213699 /nfs/dbraw/zinc/21/36/99/799213699.db2.gz UKPUUNNQEHFFCQ-QJPTWQEYSA-N 2 2 282.388 -0.465 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001030025730 799213702 /nfs/dbraw/zinc/21/37/02/799213702.db2.gz UKPUUNNQEHFFCQ-QJPTWQEYSA-N 2 2 282.388 -0.465 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001030025730 799213711 /nfs/dbraw/zinc/21/37/11/799213711.db2.gz UKPUUNNQEHFFCQ-QJPTWQEYSA-N 2 2 282.388 -0.465 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC[NH+]([C@H]2CCNC2=O)C1 ZINC001030032420 799215176 /nfs/dbraw/zinc/21/51/76/799215176.db2.gz JUFRZRILRRKNPU-XQQFMLRXSA-N 2 2 294.399 -0.450 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC[NH+]([C@H]2CCNC2=O)C1 ZINC001030032420 799215180 /nfs/dbraw/zinc/21/51/80/799215180.db2.gz JUFRZRILRRKNPU-XQQFMLRXSA-N 2 2 294.399 -0.450 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001030032420 799215185 /nfs/dbraw/zinc/21/51/85/799215185.db2.gz JUFRZRILRRKNPU-XQQFMLRXSA-N 2 2 294.399 -0.450 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCC[N@H+]([C@H]2CCNC2=O)C1 ZINC001030032420 799215189 /nfs/dbraw/zinc/21/51/89/799215189.db2.gz JUFRZRILRRKNPU-XQQFMLRXSA-N 2 2 294.399 -0.450 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001030033196 799215854 /nfs/dbraw/zinc/21/58/54/799215854.db2.gz HLQYCNGTRIFGOW-AVGNSLFASA-N 2 2 296.415 -0.075 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001030033196 799215858 /nfs/dbraw/zinc/21/58/58/799215858.db2.gz HLQYCNGTRIFGOW-AVGNSLFASA-N 2 2 296.415 -0.075 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001030033196 799215862 /nfs/dbraw/zinc/21/58/62/799215862.db2.gz HLQYCNGTRIFGOW-AVGNSLFASA-N 2 2 296.415 -0.075 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001030033196 799215865 /nfs/dbraw/zinc/21/58/65/799215865.db2.gz HLQYCNGTRIFGOW-AVGNSLFASA-N 2 2 296.415 -0.075 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001030032310 799216643 /nfs/dbraw/zinc/21/66/43/799216643.db2.gz UKPUUNNQEHFFCQ-GRYCIOLGSA-N 2 2 282.388 -0.465 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001030032310 799216650 /nfs/dbraw/zinc/21/66/50/799216650.db2.gz UKPUUNNQEHFFCQ-GRYCIOLGSA-N 2 2 282.388 -0.465 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001030032310 799216654 /nfs/dbraw/zinc/21/66/54/799216654.db2.gz UKPUUNNQEHFFCQ-GRYCIOLGSA-N 2 2 282.388 -0.465 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001030032310 799216661 /nfs/dbraw/zinc/21/66/61/799216661.db2.gz UKPUUNNQEHFFCQ-GRYCIOLGSA-N 2 2 282.388 -0.465 20 0 CBADLP Cn1c[nH+]cc1CN1CC(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001030153881 799248133 /nfs/dbraw/zinc/24/81/33/799248133.db2.gz FQPYOEAUZODRHB-ZDUSSCGKSA-N 2 2 277.372 -0.185 20 0 CBADLP Cn1c[nH+]cc1CN1CC(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001030153881 799248137 /nfs/dbraw/zinc/24/81/37/799248137.db2.gz FQPYOEAUZODRHB-ZDUSSCGKSA-N 2 2 277.372 -0.185 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)NC2C[NH+](C[C@@H]3CCCOC3)C2)C1 ZINC001030183167 799259688 /nfs/dbraw/zinc/25/96/88/799259688.db2.gz PRDVMZRPIUQKFH-GXTWGEPZSA-N 2 2 297.399 -0.456 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)NC2C[NH+](C[C@@H]3CCCOC3)C2)C1 ZINC001030183167 799259692 /nfs/dbraw/zinc/25/96/92/799259692.db2.gz PRDVMZRPIUQKFH-GXTWGEPZSA-N 2 2 297.399 -0.456 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)NC2C[NH+](CC[C@@H]3CCOC3)C2)C1 ZINC001030185103 799260942 /nfs/dbraw/zinc/26/09/42/799260942.db2.gz ZMHHMLCQTRKGOJ-OCCSQVGLSA-N 2 2 297.399 -0.456 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)NC2C[NH+](CC[C@@H]3CCOC3)C2)C1 ZINC001030185103 799260946 /nfs/dbraw/zinc/26/09/46/799260946.db2.gz ZMHHMLCQTRKGOJ-OCCSQVGLSA-N 2 2 297.399 -0.456 20 0 CBADLP CC[NH+]1CC(NC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001030347952 799299659 /nfs/dbraw/zinc/29/96/59/799299659.db2.gz QDXDPFDDZVJOPB-VXGBXAGGSA-N 2 2 253.346 -0.330 20 0 CBADLP CC[NH+]1CC(NC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001030347952 799299666 /nfs/dbraw/zinc/29/96/66/799299666.db2.gz QDXDPFDDZVJOPB-VXGBXAGGSA-N 2 2 253.346 -0.330 20 0 CBADLP O=C(NC1C[NH+](CCCO)C1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001030345477 799300192 /nfs/dbraw/zinc/30/01/92/799300192.db2.gz FOSYHYWZFXSXHU-CHWSQXEVSA-N 2 2 283.372 -0.968 20 0 CBADLP O=C(NC1C[NH+](CCCO)C1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001030345477 799300200 /nfs/dbraw/zinc/30/02/00/799300200.db2.gz FOSYHYWZFXSXHU-CHWSQXEVSA-N 2 2 283.372 -0.968 20 0 CBADLP CC[C@H](C[NH+]1CC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1)OC ZINC001030515426 799329624 /nfs/dbraw/zinc/32/96/24/799329624.db2.gz WSXNXFVYZPMNMC-MRVWCRGKSA-N 2 2 299.415 -0.069 20 0 CBADLP CC[C@H](C[NH+]1CC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1)OC ZINC001030515426 799329631 /nfs/dbraw/zinc/32/96/31/799329631.db2.gz WSXNXFVYZPMNMC-MRVWCRGKSA-N 2 2 299.415 -0.069 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NC1C[NH+](C[C@H](C)O)C1 ZINC001030684341 799360775 /nfs/dbraw/zinc/36/07/75/799360775.db2.gz WQLMMCXEJCDUOA-JTQLQIEISA-N 2 2 252.318 -0.627 20 0 CBADLP C[C@@H](O)C[NH+]1CC(NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001030705948 799364927 /nfs/dbraw/zinc/36/49/27/799364927.db2.gz QYMDKEAQARNZHY-JWFCRIOLSA-N 2 2 295.383 -0.969 20 0 CBADLP C[C@@H](O)C[NH+]1CC(NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001030705948 799364937 /nfs/dbraw/zinc/36/49/37/799364937.db2.gz QYMDKEAQARNZHY-JWFCRIOLSA-N 2 2 295.383 -0.969 20 0 CBADLP CO[C@H](C)C[NH+]1CC(NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001030838128 799393058 /nfs/dbraw/zinc/39/30/58/799393058.db2.gz ACVRSRSKEMFLMP-TZMCWYRMSA-N 2 2 299.415 -0.069 20 0 CBADLP CO[C@H](C)C[NH+]1CC(NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001030838128 799393066 /nfs/dbraw/zinc/39/30/66/799393066.db2.gz ACVRSRSKEMFLMP-TZMCWYRMSA-N 2 2 299.415 -0.069 20 0 CBADLP C[C@H]1C[C@@H](C(=O)NC2C[NH+](CCO)C2)CC[N@@H+]1C ZINC001030845784 799396066 /nfs/dbraw/zinc/39/60/66/799396066.db2.gz OMGFADXEQWKGFZ-QWRGUYRKSA-N 2 2 255.362 -0.491 20 0 CBADLP C[C@H]1C[C@@H](C(=O)NC2C[NH+](CCO)C2)CC[N@H+]1C ZINC001030845784 799396075 /nfs/dbraw/zinc/39/60/75/799396075.db2.gz OMGFADXEQWKGFZ-QWRGUYRKSA-N 2 2 255.362 -0.491 20 0 CBADLP C[C@H](O)C[NH+]1CC(NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001030963796 799419278 /nfs/dbraw/zinc/41/92/78/799419278.db2.gz APFJGUXMGYZBMH-NSHDSACASA-N 2 2 269.389 -0.101 20 0 CBADLP C[C@H](O)C[NH+]1CC(NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001030963796 799419282 /nfs/dbraw/zinc/41/92/82/799419282.db2.gz APFJGUXMGYZBMH-NSHDSACASA-N 2 2 269.389 -0.101 20 0 CBADLP CC(C)[NH+]1CCC(C(=O)NC2C[NH+](CCO)C2)CC1 ZINC001031188532 799455621 /nfs/dbraw/zinc/45/56/21/799455621.db2.gz QONLIIBCVTTZOB-UHFFFAOYSA-N 2 2 269.389 -0.101 20 0 CBADLP O=C(NC1C[NH+](CCO)C1)C1CC[NH+](CC2CC2)CC1 ZINC001031235787 799461834 /nfs/dbraw/zinc/46/18/34/799461834.db2.gz GINKPQKVCLDMRM-UHFFFAOYSA-N 2 2 281.400 -0.099 20 0 CBADLP C[C@@H](O)C[NH+]1CC(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001031265137 799466332 /nfs/dbraw/zinc/46/63/32/799466332.db2.gz ANKDNPJULJNNQQ-SNVBAGLBSA-N 2 2 253.346 -0.737 20 0 CBADLP C[N@@H+]1CC[C@H](C(=O)NC2C[NH+](CCn3cccn3)C2)C1 ZINC001031381951 799479591 /nfs/dbraw/zinc/47/95/91/799479591.db2.gz FKVTXIZXTAMEIO-LBPRGKRZSA-N 2 2 277.372 -0.365 20 0 CBADLP C[N@H+]1CC[C@H](C(=O)NC2C[NH+](CCn3cccn3)C2)C1 ZINC001031381951 799479598 /nfs/dbraw/zinc/47/95/98/799479598.db2.gz FKVTXIZXTAMEIO-LBPRGKRZSA-N 2 2 277.372 -0.365 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)NC2C[NH+](CC3CC3)C2)C1 ZINC001031418462 799488099 /nfs/dbraw/zinc/48/80/99/799488099.db2.gz KHUJFRJWLRLQFG-ZDUSSCGKSA-N 2 2 267.373 -0.083 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)NC2C[NH+](CC3CC3)C2)C1 ZINC001031418462 799488103 /nfs/dbraw/zinc/48/81/03/799488103.db2.gz KHUJFRJWLRLQFG-ZDUSSCGKSA-N 2 2 267.373 -0.083 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001031579900 799512603 /nfs/dbraw/zinc/51/26/03/799512603.db2.gz OAKCFOYTJWJULJ-VXGBXAGGSA-N 2 2 280.372 -0.983 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001031579900 799512605 /nfs/dbraw/zinc/51/26/05/799512605.db2.gz OAKCFOYTJWJULJ-VXGBXAGGSA-N 2 2 280.372 -0.983 20 0 CBADLP NC(=O)C[NH+]1CC(CNC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC001031668853 799530589 /nfs/dbraw/zinc/53/05/89/799530589.db2.gz QTEOPVCVQKDUQJ-QWHCGFSZSA-N 2 2 294.399 -0.606 20 0 CBADLP NC(=O)C[NH+]1CC(CNC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001031668853 799530594 /nfs/dbraw/zinc/53/05/94/799530594.db2.gz QTEOPVCVQKDUQJ-QWHCGFSZSA-N 2 2 294.399 -0.606 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001031675072 799531899 /nfs/dbraw/zinc/53/18/99/799531899.db2.gz TZSMQAXKETXMFE-MFKMUULPSA-N 2 2 294.399 -0.750 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001031675070 799532463 /nfs/dbraw/zinc/53/24/63/799532463.db2.gz TZSMQAXKETXMFE-GWCFXTLKSA-N 2 2 294.399 -0.750 20 0 CBADLP CN(C)C(=O)C[NH+]1CC(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001031776193 799541802 /nfs/dbraw/zinc/54/18/02/799541802.db2.gz GYCXJPWGEXLSCQ-CYBMUJFWSA-N 2 2 296.415 -0.393 20 0 CBADLP CN(C)C(=O)C[NH+]1CC(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001031776193 799541805 /nfs/dbraw/zinc/54/18/05/799541805.db2.gz GYCXJPWGEXLSCQ-CYBMUJFWSA-N 2 2 296.415 -0.393 20 0 CBADLP CC[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001031772467 799542565 /nfs/dbraw/zinc/54/25/65/799542565.db2.gz VQDCUAWCADQLAM-OLZOCXBDSA-N 2 2 296.415 -0.217 20 0 CBADLP CC[C@H](C(N)=O)[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001031772467 799542560 /nfs/dbraw/zinc/54/25/60/799542560.db2.gz VQDCUAWCADQLAM-OLZOCXBDSA-N 2 2 296.415 -0.217 20 0 CBADLP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001031777201 799542724 /nfs/dbraw/zinc/54/27/24/799542724.db2.gz YHTZVSLFYZBPRK-CHWSQXEVSA-N 2 2 294.399 -0.593 20 0 CBADLP C[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001031777201 799542728 /nfs/dbraw/zinc/54/27/28/799542728.db2.gz YHTZVSLFYZBPRK-CHWSQXEVSA-N 2 2 294.399 -0.593 20 0 CBADLP NC(=O)C[NH+]1CC(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001031765004 799542851 /nfs/dbraw/zinc/54/28/51/799542851.db2.gz RFYFJJODPLHJCS-UHFFFAOYSA-N 2 2 294.399 -0.604 20 0 CBADLP CNC(=O)[C@H](C)[NH+]1CC(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001031776399 799542955 /nfs/dbraw/zinc/54/29/55/799542955.db2.gz JPVUCBODMXDNJO-WCQYABFASA-N 2 2 296.415 -0.347 20 0 CBADLP CNC(=O)[C@H](C)[NH+]1CC(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001031776399 799542956 /nfs/dbraw/zinc/54/29/56/799542956.db2.gz JPVUCBODMXDNJO-WCQYABFASA-N 2 2 296.415 -0.347 20 0 CBADLP C[NH+]1CCC(C(=O)NCC2C[NH+]([C@H]3CCNC3=O)C2)CC1 ZINC001031948334 799565309 /nfs/dbraw/zinc/56/53/09/799565309.db2.gz VHCCYTZHICUGMF-ZDUSSCGKSA-N 2 2 294.399 -0.735 20 0 CBADLP O=C(NCC1C[NH+](CCO)C1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001031968275 799566533 /nfs/dbraw/zinc/56/65/33/799566533.db2.gz SUYVDRIIVVDABH-LLVKDONJSA-N 2 2 278.356 -0.130 20 0 CBADLP O=C(CCc1[nH]cc[nH+]1)N1C[C@@H]2C[C@H]1C[N@H+]2CCO ZINC001032379724 799620270 /nfs/dbraw/zinc/62/02/70/799620270.db2.gz CQOKCZLATQTHNY-QWRGUYRKSA-N 2 2 264.329 -0.380 20 0 CBADLP O=C(CCc1[nH]cc[nH+]1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCO ZINC001032379724 799620272 /nfs/dbraw/zinc/62/02/72/799620272.db2.gz CQOKCZLATQTHNY-QWRGUYRKSA-N 2 2 264.329 -0.380 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H](C)O ZINC001032784138 799667146 /nfs/dbraw/zinc/66/71/46/799667146.db2.gz JFTOBINHHDTOMN-DRZSPHRISA-N 2 2 278.356 -0.143 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@H](C)O ZINC001032784138 799667152 /nfs/dbraw/zinc/66/71/52/799667152.db2.gz JFTOBINHHDTOMN-DRZSPHRISA-N 2 2 278.356 -0.143 20 0 CBADLP COCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1 ZINC001032814837 799670548 /nfs/dbraw/zinc/67/05/48/799670548.db2.gz MFMKLJOGTCEHMJ-RYUDHWBXSA-N 2 2 264.329 -0.185 20 0 CBADLP COCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1 ZINC001032814837 799670552 /nfs/dbraw/zinc/67/05/52/799670552.db2.gz MFMKLJOGTCEHMJ-RYUDHWBXSA-N 2 2 264.329 -0.185 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001032828340 799673158 /nfs/dbraw/zinc/67/31/58/799673158.db2.gz JGDODAJQHWXLFO-OUAUKWLOSA-N 2 2 268.361 -0.855 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001032828340 799673165 /nfs/dbraw/zinc/67/31/65/799673165.db2.gz JGDODAJQHWXLFO-OUAUKWLOSA-N 2 2 268.361 -0.855 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001032828340 799673171 /nfs/dbraw/zinc/67/31/71/799673171.db2.gz JGDODAJQHWXLFO-OUAUKWLOSA-N 2 2 268.361 -0.855 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001032828340 799673172 /nfs/dbraw/zinc/67/31/72/799673172.db2.gz JGDODAJQHWXLFO-OUAUKWLOSA-N 2 2 268.361 -0.855 20 0 CBADLP CN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033083157 799715781 /nfs/dbraw/zinc/71/57/81/799715781.db2.gz VZMMTRCYAOFOLM-OLZOCXBDSA-N 2 2 294.399 -0.654 20 0 CBADLP CN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033083157 799715784 /nfs/dbraw/zinc/71/57/84/799715784.db2.gz VZMMTRCYAOFOLM-OLZOCXBDSA-N 2 2 294.399 -0.654 20 0 CBADLP CN(C(=O)[C@H]1CCc2[nH+]ccn2C1)[C@H]1CC[N@H+](CCO)C1 ZINC001033205396 799725324 /nfs/dbraw/zinc/72/53/24/799725324.db2.gz FROIEPJVPOHKBA-STQMWFEESA-N 2 2 292.383 -0.030 20 0 CBADLP CN(C(=O)[C@H]1CCc2[nH+]ccn2C1)[C@H]1CC[N@@H+](CCO)C1 ZINC001033205396 799725328 /nfs/dbraw/zinc/72/53/28/799725328.db2.gz FROIEPJVPOHKBA-STQMWFEESA-N 2 2 292.383 -0.030 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001033267786 799733543 /nfs/dbraw/zinc/73/35/43/799733543.db2.gz VYPQKXSUCCXAQY-RYUDHWBXSA-N 2 2 293.371 -0.402 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001033267786 799733545 /nfs/dbraw/zinc/73/35/45/799733545.db2.gz VYPQKXSUCCXAQY-RYUDHWBXSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@H]1CC[N@H+](CC(=O)N(C)[C@@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001033419690 799752619 /nfs/dbraw/zinc/75/26/19/799752619.db2.gz KTWMBGXEHCTBBQ-NWDGAFQWSA-N 2 2 282.388 -0.654 20 0 CBADLP C[C@H]1CC[N@@H+](CC(=O)N(C)[C@@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001033419690 799752626 /nfs/dbraw/zinc/75/26/26/799752626.db2.gz KTWMBGXEHCTBBQ-NWDGAFQWSA-N 2 2 282.388 -0.654 20 0 CBADLP C[C@H]1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@H+](CC(N)=O)C2)C1 ZINC001033419690 799752631 /nfs/dbraw/zinc/75/26/31/799752631.db2.gz KTWMBGXEHCTBBQ-NWDGAFQWSA-N 2 2 282.388 -0.654 20 0 CBADLP C[C@H]1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@@H+](CC(N)=O)C2)C1 ZINC001033419690 799752636 /nfs/dbraw/zinc/75/26/36/799752636.db2.gz KTWMBGXEHCTBBQ-NWDGAFQWSA-N 2 2 282.388 -0.654 20 0 CBADLP C[C@H](O)C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001033592070 799770429 /nfs/dbraw/zinc/77/04/29/799770429.db2.gz XWLXHMNYDNROSA-NWDGAFQWSA-N 2 2 280.372 -0.124 20 0 CBADLP C[C@H](O)C[N@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001033592070 799770431 /nfs/dbraw/zinc/77/04/31/799770431.db2.gz XWLXHMNYDNROSA-NWDGAFQWSA-N 2 2 280.372 -0.124 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@@H]1CC[N@@H+](CCO)C1 ZINC001033625787 799772186 /nfs/dbraw/zinc/77/21/86/799772186.db2.gz UZZXMRLIFNZVGI-LLVKDONJSA-N 2 2 266.345 -0.214 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@@H]1CC[N@H+](CCO)C1 ZINC001033625787 799772185 /nfs/dbraw/zinc/77/21/85/799772185.db2.gz UZZXMRLIFNZVGI-LLVKDONJSA-N 2 2 266.345 -0.214 20 0 CBADLP CN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001033658222 799775889 /nfs/dbraw/zinc/77/58/89/799775889.db2.gz RYJLGKYAYCXORR-STQMWFEESA-N 2 2 294.399 -0.497 20 0 CBADLP CN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001033658222 799775892 /nfs/dbraw/zinc/77/58/92/799775892.db2.gz RYJLGKYAYCXORR-STQMWFEESA-N 2 2 294.399 -0.497 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033657274 799776584 /nfs/dbraw/zinc/77/65/84/799776584.db2.gz IQFLKGGMDNYHBJ-OLZOCXBDSA-N 2 2 296.415 -0.251 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033657274 799776586 /nfs/dbraw/zinc/77/65/86/799776586.db2.gz IQFLKGGMDNYHBJ-OLZOCXBDSA-N 2 2 296.415 -0.251 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033657275 799776702 /nfs/dbraw/zinc/77/67/02/799776702.db2.gz IQFLKGGMDNYHBJ-QWHCGFSZSA-N 2 2 296.415 -0.251 20 0 CBADLP CNC(=O)[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033657275 799776706 /nfs/dbraw/zinc/77/67/06/799776706.db2.gz IQFLKGGMDNYHBJ-QWHCGFSZSA-N 2 2 296.415 -0.251 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N(C)[C@@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001033667665 799779013 /nfs/dbraw/zinc/77/90/13/799779013.db2.gz IYVFIXXQFCDMKF-CMPLNLGQSA-N 2 2 293.371 -0.402 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N(C)[C@@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001033667665 799779016 /nfs/dbraw/zinc/77/90/16/799779016.db2.gz IYVFIXXQFCDMKF-CMPLNLGQSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@H](O)C[N@@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001033701394 799782739 /nfs/dbraw/zinc/78/27/39/799782739.db2.gz CTVJVSCDRVPLBZ-NWDGAFQWSA-N 2 2 266.345 -0.203 20 0 CBADLP C[C@H](O)C[N@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001033701394 799782741 /nfs/dbraw/zinc/78/27/41/799782741.db2.gz CTVJVSCDRVPLBZ-NWDGAFQWSA-N 2 2 266.345 -0.203 20 0 CBADLP CCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@@H]1CC[N@H+](CCO)C1 ZINC001033790365 799789058 /nfs/dbraw/zinc/78/90/58/799789058.db2.gz VCDZRTSPCZRFOE-CHWSQXEVSA-N 2 2 285.388 -0.768 20 0 CBADLP CCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@@H]1CC[N@@H+](CCO)C1 ZINC001033790365 799789064 /nfs/dbraw/zinc/78/90/64/799789064.db2.gz VCDZRTSPCZRFOE-CHWSQXEVSA-N 2 2 285.388 -0.768 20 0 CBADLP CCN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@@H]1CC[NH+](CCO)C1 ZINC001033790365 799789068 /nfs/dbraw/zinc/78/90/68/799789068.db2.gz VCDZRTSPCZRFOE-CHWSQXEVSA-N 2 2 285.388 -0.768 20 0 CBADLP CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@@H]1CC[NH+](CCO)C1 ZINC001033790365 799789071 /nfs/dbraw/zinc/78/90/71/799789071.db2.gz VCDZRTSPCZRFOE-CHWSQXEVSA-N 2 2 285.388 -0.768 20 0 CBADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CC[N@H+](CCO)C1 ZINC001033790372 799789402 /nfs/dbraw/zinc/78/94/02/799789402.db2.gz VCDZRTSPCZRFOE-STQMWFEESA-N 2 2 285.388 -0.768 20 0 CBADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CC[N@@H+](CCO)C1 ZINC001033790372 799789405 /nfs/dbraw/zinc/78/94/05/799789405.db2.gz VCDZRTSPCZRFOE-STQMWFEESA-N 2 2 285.388 -0.768 20 0 CBADLP CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@H]1CC[NH+](CCO)C1 ZINC001033790372 799789408 /nfs/dbraw/zinc/78/94/08/799789408.db2.gz VCDZRTSPCZRFOE-STQMWFEESA-N 2 2 285.388 -0.768 20 0 CBADLP CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@H]1CC[NH+](CCO)C1 ZINC001033790372 799789409 /nfs/dbraw/zinc/78/94/09/799789409.db2.gz VCDZRTSPCZRFOE-STQMWFEESA-N 2 2 285.388 -0.768 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CC(N)=O)C1 ZINC001034140140 799815810 /nfs/dbraw/zinc/81/58/10/799815810.db2.gz XQVGMKPGTNPNME-RYUDHWBXSA-N 2 2 282.388 -0.463 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CC(N)=O)C1 ZINC001034140140 799815817 /nfs/dbraw/zinc/81/58/17/799815817.db2.gz XQVGMKPGTNPNME-RYUDHWBXSA-N 2 2 282.388 -0.463 20 0 CBADLP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](CC(N)=O)C1 ZINC001034140140 799815821 /nfs/dbraw/zinc/81/58/21/799815821.db2.gz XQVGMKPGTNPNME-RYUDHWBXSA-N 2 2 282.388 -0.463 20 0 CBADLP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CC(N)=O)C1 ZINC001034140140 799815829 /nfs/dbraw/zinc/81/58/29/799815829.db2.gz XQVGMKPGTNPNME-RYUDHWBXSA-N 2 2 282.388 -0.463 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CCCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001034528062 799846548 /nfs/dbraw/zinc/84/65/48/799846548.db2.gz JCBYHSNCMLANQT-STQMWFEESA-N 2 2 296.415 -0.073 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CCCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001034528062 799846553 /nfs/dbraw/zinc/84/65/53/799846553.db2.gz JCBYHSNCMLANQT-STQMWFEESA-N 2 2 296.415 -0.073 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1CC[C@H]([NH2+]CCO)CC1 ZINC001034745852 799854762 /nfs/dbraw/zinc/85/47/62/799854762.db2.gz NXNASHPULYTYSB-XYPYZODXSA-N 2 2 266.345 -0.039 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[NH+](CC3CC3)CCO2)C1 ZINC001035325839 799892157 /nfs/dbraw/zinc/89/21/57/799892157.db2.gz DCAQCQXFVQNNMN-KBPBESRZSA-N 2 2 297.399 -0.456 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[NH+](CC3CC3)CCO2)C1 ZINC001035325839 799892164 /nfs/dbraw/zinc/89/21/64/799892164.db2.gz DCAQCQXFVQNNMN-KBPBESRZSA-N 2 2 297.399 -0.456 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)NC[C@H]2C[N@H+](CC3CC3)CCO2)C1 ZINC001035325839 799892172 /nfs/dbraw/zinc/89/21/72/799892172.db2.gz DCAQCQXFVQNNMN-KBPBESRZSA-N 2 2 297.399 -0.456 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)NC[C@H]2C[N@@H+](CC3CC3)CCO2)C1 ZINC001035325839 799892182 /nfs/dbraw/zinc/89/21/82/799892182.db2.gz DCAQCQXFVQNNMN-KBPBESRZSA-N 2 2 297.399 -0.456 20 0 CBADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCO)CCO1 ZINC001035360803 799906295 /nfs/dbraw/zinc/90/62/95/799906295.db2.gz GWAXYXYCAAEQBV-KGLIPLIRSA-N 2 2 299.415 -0.332 20 0 CBADLP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCO)CCO1 ZINC001035360803 799906300 /nfs/dbraw/zinc/90/63/00/799906300.db2.gz GWAXYXYCAAEQBV-KGLIPLIRSA-N 2 2 299.415 -0.332 20 0 CBADLP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001035360803 799906303 /nfs/dbraw/zinc/90/63/03/799906303.db2.gz GWAXYXYCAAEQBV-KGLIPLIRSA-N 2 2 299.415 -0.332 20 0 CBADLP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001035360803 799906308 /nfs/dbraw/zinc/90/63/08/799906308.db2.gz GWAXYXYCAAEQBV-KGLIPLIRSA-N 2 2 299.415 -0.332 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[NH+](CCO)CCO2)CC[N@@H+]1C ZINC001035375549 799909896 /nfs/dbraw/zinc/90/98/96/799909896.db2.gz KDZZMEDXATVGCY-MELADBBJSA-N 2 2 299.415 -0.474 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[NH+](CCO)CCO2)CC[N@H+]1C ZINC001035375549 799909898 /nfs/dbraw/zinc/90/98/98/799909898.db2.gz KDZZMEDXATVGCY-MELADBBJSA-N 2 2 299.415 -0.474 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[N@H+](CCO)CCO2)CC[NH+]1C ZINC001035375549 799909901 /nfs/dbraw/zinc/90/99/01/799909901.db2.gz KDZZMEDXATVGCY-MELADBBJSA-N 2 2 299.415 -0.474 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[N@@H+](CCO)CCO2)CC[NH+]1C ZINC001035375549 799909904 /nfs/dbraw/zinc/90/99/04/799909904.db2.gz KDZZMEDXATVGCY-MELADBBJSA-N 2 2 299.415 -0.474 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[NH+](CCO)CCO2)CC[N@@H+]1C ZINC001035375548 799910030 /nfs/dbraw/zinc/91/00/30/799910030.db2.gz KDZZMEDXATVGCY-HZSPNIEDSA-N 2 2 299.415 -0.474 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[NH+](CCO)CCO2)CC[N@H+]1C ZINC001035375548 799910031 /nfs/dbraw/zinc/91/00/31/799910031.db2.gz KDZZMEDXATVGCY-HZSPNIEDSA-N 2 2 299.415 -0.474 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[N@H+](CCO)CCO2)CC[NH+]1C ZINC001035375548 799910034 /nfs/dbraw/zinc/91/00/34/799910034.db2.gz KDZZMEDXATVGCY-HZSPNIEDSA-N 2 2 299.415 -0.474 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[N@@H+](CCO)CCO2)CC[NH+]1C ZINC001035375548 799910036 /nfs/dbraw/zinc/91/00/36/799910036.db2.gz KDZZMEDXATVGCY-HZSPNIEDSA-N 2 2 299.415 -0.474 20 0 CBADLP O=C(NC[C@@H]1C[N@H+](CCO)CCO1)[C@@H]1C[NH+]2CCC1CC2 ZINC001035369958 799910524 /nfs/dbraw/zinc/91/05/24/799910524.db2.gz LCASZYRUJLQBIO-ZIAGYGMSSA-N 2 2 297.399 -0.863 20 0 CBADLP O=C(NC[C@@H]1C[N@@H+](CCO)CCO1)[C@@H]1C[NH+]2CCC1CC2 ZINC001035369958 799910526 /nfs/dbraw/zinc/91/05/26/799910526.db2.gz LCASZYRUJLQBIO-ZIAGYGMSSA-N 2 2 297.399 -0.863 20 0 CBADLP COCC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001035613325 799953572 /nfs/dbraw/zinc/95/35/72/799953572.db2.gz IPZBMPCMIJURKG-CHWSQXEVSA-N 2 2 285.388 -0.599 20 0 CBADLP COCC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001035613325 799953578 /nfs/dbraw/zinc/95/35/78/799953578.db2.gz IPZBMPCMIJURKG-CHWSQXEVSA-N 2 2 285.388 -0.599 20 0 CBADLP COCC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001035613325 799953581 /nfs/dbraw/zinc/95/35/81/799953581.db2.gz IPZBMPCMIJURKG-CHWSQXEVSA-N 2 2 285.388 -0.599 20 0 CBADLP COCC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001035613325 799953585 /nfs/dbraw/zinc/95/35/85/799953585.db2.gz IPZBMPCMIJURKG-CHWSQXEVSA-N 2 2 285.388 -0.599 20 0 CBADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@@H]1[NH2+]CC(N)=O ZINC001036203859 799982425 /nfs/dbraw/zinc/98/24/25/799982425.db2.gz HPHFPEOEFDKGCG-KOLCDFICSA-N 2 2 279.344 -0.736 20 0 CBADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@@H]1[NH2+]CCO ZINC001036194855 799982902 /nfs/dbraw/zinc/98/29/02/799982902.db2.gz SICKTCAPXPONIB-PWSUYJOCSA-N 2 2 266.345 -0.229 20 0 CBADLP C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@H]1[NH2+]CC(N)=O ZINC001036234891 799984001 /nfs/dbraw/zinc/98/40/01/799984001.db2.gz CSZFZGKVAMSEFK-VHSXEESVSA-N 2 2 279.344 -0.736 20 0 CBADLP C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[C@H]1[NH2+]CC(N)=O ZINC001036251254 799984017 /nfs/dbraw/zinc/98/40/17/799984017.db2.gz BZJGIOWZXYPIJU-CMPLNLGQSA-N 2 2 293.371 -0.726 20 0 CBADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[C@@H]1[NH2+]CC(N)=O ZINC001036251258 799984405 /nfs/dbraw/zinc/98/44/05/799984405.db2.gz BZJGIOWZXYPIJU-PWSUYJOCSA-N 2 2 293.371 -0.726 20 0 CBADLP NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[C@@H]21 ZINC001036829737 800009025 /nfs/dbraw/zinc/00/90/25/800009025.db2.gz KMUSJFLFLJEZCL-PWSUYJOCSA-N 2 2 291.355 -0.640 20 0 CBADLP NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[C@@H]21 ZINC001036829737 800009033 /nfs/dbraw/zinc/00/90/33/800009033.db2.gz KMUSJFLFLJEZCL-PWSUYJOCSA-N 2 2 291.355 -0.640 20 0 CBADLP NC(=O)C[N@@H+]1CC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[C@@H]21 ZINC001036829736 800009914 /nfs/dbraw/zinc/00/99/14/800009914.db2.gz KMUSJFLFLJEZCL-JQWIXIFHSA-N 2 2 291.355 -0.640 20 0 CBADLP NC(=O)C[N@H+]1CC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[C@@H]21 ZINC001036829736 800009918 /nfs/dbraw/zinc/00/99/18/800009918.db2.gz KMUSJFLFLJEZCL-JQWIXIFHSA-N 2 2 291.355 -0.640 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H]2[C@@H](CC[N@H+]2CCO)C1 ZINC001036854140 800009934 /nfs/dbraw/zinc/00/99/34/800009934.db2.gz GOHKCFOGJCGXAJ-NWDGAFQWSA-N 2 2 278.356 -0.133 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H]2[C@@H](CC[N@@H+]2CCO)C1 ZINC001036854140 800009940 /nfs/dbraw/zinc/00/99/40/800009940.db2.gz GOHKCFOGJCGXAJ-NWDGAFQWSA-N 2 2 278.356 -0.133 20 0 CBADLP NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC[C@@H]21 ZINC001036851864 800010831 /nfs/dbraw/zinc/01/08/31/800010831.db2.gz SNYQSJUVPOXNRQ-MNOVXSKESA-N 2 2 291.355 -0.640 20 0 CBADLP NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC[C@@H]21 ZINC001036851864 800010840 /nfs/dbraw/zinc/01/08/40/800010840.db2.gz SNYQSJUVPOXNRQ-MNOVXSKESA-N 2 2 291.355 -0.640 20 0 CBADLP NC(=O)C[N@@H+]1CC[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC[C@@H]21 ZINC001036851865 800011070 /nfs/dbraw/zinc/01/10/70/800011070.db2.gz SNYQSJUVPOXNRQ-QWRGUYRKSA-N 2 2 291.355 -0.640 20 0 CBADLP NC(=O)C[N@H+]1CC[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC[C@@H]21 ZINC001036851865 800011075 /nfs/dbraw/zinc/01/10/75/800011075.db2.gz SNYQSJUVPOXNRQ-QWRGUYRKSA-N 2 2 291.355 -0.640 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2CCO)C1 ZINC001036869871 800011626 /nfs/dbraw/zinc/01/16/26/800011626.db2.gz LKXLHASVJWRPNX-GXTWGEPZSA-N 2 2 292.383 -0.122 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2CCO)C1 ZINC001036869871 800011634 /nfs/dbraw/zinc/01/16/34/800011634.db2.gz LKXLHASVJWRPNX-GXTWGEPZSA-N 2 2 292.383 -0.122 20 0 CBADLP COCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001038134128 800060221 /nfs/dbraw/zinc/06/02/21/800060221.db2.gz DYQMZZSZBNSYQB-RYUDHWBXSA-N 2 2 271.361 -0.846 20 0 CBADLP COCC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001038134128 800060228 /nfs/dbraw/zinc/06/02/28/800060228.db2.gz DYQMZZSZBNSYQB-RYUDHWBXSA-N 2 2 271.361 -0.846 20 0 CBADLP COCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001038134128 800060237 /nfs/dbraw/zinc/06/02/37/800060237.db2.gz DYQMZZSZBNSYQB-RYUDHWBXSA-N 2 2 271.361 -0.846 20 0 CBADLP COCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001038134128 800060240 /nfs/dbraw/zinc/06/02/40/800060240.db2.gz DYQMZZSZBNSYQB-RYUDHWBXSA-N 2 2 271.361 -0.846 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[NH+]2CCCF)C1 ZINC001038137278 800060648 /nfs/dbraw/zinc/06/06/48/800060648.db2.gz OWSYURIPZACLPH-NEPJUHHUSA-N 2 2 273.352 -0.133 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[NH+]2CCCF)C1 ZINC001038137278 800060656 /nfs/dbraw/zinc/06/06/56/800060656.db2.gz OWSYURIPZACLPH-NEPJUHHUSA-N 2 2 273.352 -0.133 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)NC[C@H]2CC[N@@H+]2CCCF)C1 ZINC001038137278 800060665 /nfs/dbraw/zinc/06/06/65/800060665.db2.gz OWSYURIPZACLPH-NEPJUHHUSA-N 2 2 273.352 -0.133 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)NC[C@H]2CC[N@H+]2CCCF)C1 ZINC001038137278 800060674 /nfs/dbraw/zinc/06/06/74/800060674.db2.gz OWSYURIPZACLPH-NEPJUHHUSA-N 2 2 273.352 -0.133 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CC[NH+]2CCCF)C1 ZINC001038137282 800061333 /nfs/dbraw/zinc/06/13/33/800061333.db2.gz OWSYURIPZACLPH-RYUDHWBXSA-N 2 2 273.352 -0.133 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CC[NH+]2CCCF)C1 ZINC001038137282 800061345 /nfs/dbraw/zinc/06/13/45/800061345.db2.gz OWSYURIPZACLPH-RYUDHWBXSA-N 2 2 273.352 -0.133 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2CC[N@@H+]2CCCF)C1 ZINC001038137282 800061355 /nfs/dbraw/zinc/06/13/55/800061355.db2.gz OWSYURIPZACLPH-RYUDHWBXSA-N 2 2 273.352 -0.133 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2CC[N@H+]2CCCF)C1 ZINC001038137282 800061363 /nfs/dbraw/zinc/06/13/63/800061363.db2.gz OWSYURIPZACLPH-RYUDHWBXSA-N 2 2 273.352 -0.133 20 0 CBADLP O=C(NC[C@@H]1CC[N@H+]1CCO)[C@H]1CCCc2[nH+]ccn21 ZINC001038345171 800100294 /nfs/dbraw/zinc/10/02/94/800100294.db2.gz JTDOFGOHKWSWDC-NWDGAFQWSA-N 2 2 278.356 -0.057 20 0 CBADLP O=C(NC[C@@H]1CC[N@@H+]1CCO)[C@H]1CCCc2[nH+]ccn21 ZINC001038345171 800100295 /nfs/dbraw/zinc/10/02/95/800100295.db2.gz JTDOFGOHKWSWDC-NWDGAFQWSA-N 2 2 278.356 -0.057 20 0 CBADLP O=C(NC[C@@H]1CC[N@H+]1CCO)[C@H]1CCc2c[nH+]cn2C1 ZINC001038429879 800109443 /nfs/dbraw/zinc/10/94/43/800109443.db2.gz KNSONYYYLFVKJM-AAEUAGOBSA-N 2 2 278.356 -0.372 20 0 CBADLP O=C(NC[C@@H]1CC[N@@H+]1CCO)[C@H]1CCc2c[nH+]cn2C1 ZINC001038429879 800109446 /nfs/dbraw/zinc/10/94/46/800109446.db2.gz KNSONYYYLFVKJM-AAEUAGOBSA-N 2 2 278.356 -0.372 20 0 CBADLP C[C@H](O)C[N@@H+]1CC[C@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001038442911 800110939 /nfs/dbraw/zinc/11/09/39/800110939.db2.gz SBZHUIHCSMUIAL-QWRGUYRKSA-N 2 2 296.371 -0.079 20 0 CBADLP C[C@H](O)C[N@H+]1CC[C@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001038442911 800110944 /nfs/dbraw/zinc/11/09/44/800110944.db2.gz SBZHUIHCSMUIAL-QWRGUYRKSA-N 2 2 296.371 -0.079 20 0 CBADLP Cc1[nH+]cc2n1C[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1CCO)CC2 ZINC001038649089 801232241 /nfs/dbraw/zinc/23/22/41/801232241.db2.gz YBVXUQPCBSSYHX-STQMWFEESA-N 2 2 292.383 -0.063 20 0 CBADLP Cc1[nH+]cc2n1C[C@@H](C(=O)NC[C@@H]1CC[N@H+]1CCO)CC2 ZINC001038649089 801232247 /nfs/dbraw/zinc/23/22/47/801232247.db2.gz YBVXUQPCBSSYHX-STQMWFEESA-N 2 2 292.383 -0.063 20 0 CBADLP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CC[NH+]2CC(=O)N2CCC2)C1 ZINC001039020423 801280128 /nfs/dbraw/zinc/28/01/28/801280128.db2.gz ZGPAKTSYIWLFCL-QWHCGFSZSA-N 2 2 294.399 -0.639 20 0 CBADLP C[N@H+]1CC[C@H](C(=O)NC[C@H]2CC[NH+]2CC(=O)N2CCC2)C1 ZINC001039020423 801280135 /nfs/dbraw/zinc/28/01/35/801280135.db2.gz ZGPAKTSYIWLFCL-QWHCGFSZSA-N 2 2 294.399 -0.639 20 0 CBADLP C[NH+]1CC[C@H](C(=O)NC[C@H]2CC[N@@H+]2CC(=O)N2CCC2)C1 ZINC001039020423 801280141 /nfs/dbraw/zinc/28/01/41/801280141.db2.gz ZGPAKTSYIWLFCL-QWHCGFSZSA-N 2 2 294.399 -0.639 20 0 CBADLP C[NH+]1CC[C@H](C(=O)NC[C@H]2CC[N@H+]2CC(=O)N2CCC2)C1 ZINC001039020423 801280146 /nfs/dbraw/zinc/28/01/46/801280146.db2.gz ZGPAKTSYIWLFCL-QWHCGFSZSA-N 2 2 294.399 -0.639 20 0 CBADLP CN(C)C(=O)C[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001039030044 801281894 /nfs/dbraw/zinc/28/18/94/801281894.db2.gz XTYRENHYBCDLMY-NWDGAFQWSA-N 2 2 282.388 -0.783 20 0 CBADLP CN(C)C(=O)C[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001039030044 801281898 /nfs/dbraw/zinc/28/18/98/801281898.db2.gz XTYRENHYBCDLMY-NWDGAFQWSA-N 2 2 282.388 -0.783 20 0 CBADLP CN(C)C(=O)C[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001039030044 801281902 /nfs/dbraw/zinc/28/19/02/801281902.db2.gz XTYRENHYBCDLMY-NWDGAFQWSA-N 2 2 282.388 -0.783 20 0 CBADLP CN(C)C(=O)C[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001039030044 801281905 /nfs/dbraw/zinc/28/19/05/801281905.db2.gz XTYRENHYBCDLMY-NWDGAFQWSA-N 2 2 282.388 -0.783 20 0 CBADLP CN(C)C(=O)C[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001039030047 801282540 /nfs/dbraw/zinc/28/25/40/801282540.db2.gz XTYRENHYBCDLMY-VXGBXAGGSA-N 2 2 282.388 -0.783 20 0 CBADLP CN(C)C(=O)C[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001039030047 801282544 /nfs/dbraw/zinc/28/25/44/801282544.db2.gz XTYRENHYBCDLMY-VXGBXAGGSA-N 2 2 282.388 -0.783 20 0 CBADLP CN(C)C(=O)C[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001039030047 801282546 /nfs/dbraw/zinc/28/25/46/801282546.db2.gz XTYRENHYBCDLMY-VXGBXAGGSA-N 2 2 282.388 -0.783 20 0 CBADLP CN(C)C(=O)C[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001039030047 801282550 /nfs/dbraw/zinc/28/25/50/801282550.db2.gz XTYRENHYBCDLMY-VXGBXAGGSA-N 2 2 282.388 -0.783 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[NH+]2CCCO)C1 ZINC001039041432 801284932 /nfs/dbraw/zinc/28/49/32/801284932.db2.gz YKKOGKPBLFPRJH-CHWSQXEVSA-N 2 2 285.388 -0.720 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[NH+]2CCCO)C1 ZINC001039041432 801284937 /nfs/dbraw/zinc/28/49/37/801284937.db2.gz YKKOGKPBLFPRJH-CHWSQXEVSA-N 2 2 285.388 -0.720 20 0 CBADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@H]2CC[N@@H+]2CCCO)C1 ZINC001039041432 801284946 /nfs/dbraw/zinc/28/49/46/801284946.db2.gz YKKOGKPBLFPRJH-CHWSQXEVSA-N 2 2 285.388 -0.720 20 0 CBADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@H]2CC[N@H+]2CCCO)C1 ZINC001039041432 801284952 /nfs/dbraw/zinc/28/49/52/801284952.db2.gz YKKOGKPBLFPRJH-CHWSQXEVSA-N 2 2 285.388 -0.720 20 0 CBADLP NC(=O)C[N@@H+]1CC[C@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001041712309 801415836 /nfs/dbraw/zinc/41/58/36/801415836.db2.gz MWWCURYMRYNKLT-AWEZNQCLSA-N 2 2 291.355 -0.638 20 0 CBADLP NC(=O)C[N@H+]1CC[C@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001041712309 801415844 /nfs/dbraw/zinc/41/58/44/801415844.db2.gz MWWCURYMRYNKLT-AWEZNQCLSA-N 2 2 291.355 -0.638 20 0 CBADLP CCC[NH+]1CC(N(C)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001042570002 801491761 /nfs/dbraw/zinc/49/17/61/801491761.db2.gz BUHIEQYVIUEKQZ-GFCCVEGCSA-N 2 2 255.362 -0.130 20 0 CBADLP CCC[NH+]1CC(N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001042570002 801491763 /nfs/dbraw/zinc/49/17/63/801491763.db2.gz BUHIEQYVIUEKQZ-GFCCVEGCSA-N 2 2 255.362 -0.130 20 0 CBADLP COCC[NH+]1CC(N(C)C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001043626866 801579108 /nfs/dbraw/zinc/57/91/08/801579108.db2.gz CAPBMPAEEQYVNK-AWEZNQCLSA-N 2 2 299.415 -0.115 20 0 CBADLP COCC[NH+]1CC(N(C)C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001043626866 801579116 /nfs/dbraw/zinc/57/91/16/801579116.db2.gz CAPBMPAEEQYVNK-AWEZNQCLSA-N 2 2 299.415 -0.115 20 0 CBADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N(C)C2C[NH+](CCCO)C2)C1 ZINC001043629506 801581059 /nfs/dbraw/zinc/58/10/59/801581059.db2.gz PWVLMBWFTLNZEM-AWEZNQCLSA-N 2 2 299.415 -0.379 20 0 CBADLP CC(C)[N@H+]1CCO[C@H](C(=O)N(C)C2C[NH+](CCCO)C2)C1 ZINC001043629506 801581065 /nfs/dbraw/zinc/58/10/65/801581065.db2.gz PWVLMBWFTLNZEM-AWEZNQCLSA-N 2 2 299.415 -0.379 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N(C)C1C[NH+](C[C@@H](C)O)C1 ZINC001044295147 801637507 /nfs/dbraw/zinc/63/75/07/801637507.db2.gz AUGBJXMZILIHFQ-SNVBAGLBSA-N 2 2 266.345 -0.285 20 0 CBADLP C[C@H]1C[C@@H]([NH2+]CCO)CCN1C(=O)Cn1cc[nH+]c1 ZINC001044879914 801674960 /nfs/dbraw/zinc/67/49/60/801674960.db2.gz WHWUIWIAFLXADZ-RYUDHWBXSA-N 2 2 266.345 -0.156 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)NC2(C)CC[NH+](CCO)CC2)C1 ZINC001045398276 801696437 /nfs/dbraw/zinc/69/64/37/801696437.db2.gz ZBVYZSUXESUMFE-GFCCVEGCSA-N 2 2 285.388 -0.720 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)NC2(C)CC[NH+](CCO)CC2)C1 ZINC001045398276 801696444 /nfs/dbraw/zinc/69/64/44/801696444.db2.gz ZBVYZSUXESUMFE-GFCCVEGCSA-N 2 2 285.388 -0.720 20 0 CBADLP CN(C)C(=O)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001046198454 801738010 /nfs/dbraw/zinc/73/80/10/801738010.db2.gz VKZRKXUZMXJDCP-WFASDCNBSA-N 2 2 296.415 -0.251 20 0 CBADLP CN(C)C(=O)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001046198454 801738016 /nfs/dbraw/zinc/73/80/16/801738016.db2.gz VKZRKXUZMXJDCP-WFASDCNBSA-N 2 2 296.415 -0.251 20 0 CBADLP CN(C)C(=O)C[NH+]1CC[C@](C)(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001046198454 801738023 /nfs/dbraw/zinc/73/80/23/801738023.db2.gz VKZRKXUZMXJDCP-WFASDCNBSA-N 2 2 296.415 -0.251 20 0 CBADLP CN(C)C(=O)C[NH+]1CC[C@](C)(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001046198454 801738026 /nfs/dbraw/zinc/73/80/26/801738026.db2.gz VKZRKXUZMXJDCP-WFASDCNBSA-N 2 2 296.415 -0.251 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@]1(C)CC[NH+](CC(N)=O)C1 ZINC001046196921 801738146 /nfs/dbraw/zinc/73/81/46/801738146.db2.gz HJEIHRRAMOQEAC-GWCFXTLKSA-N 2 2 268.361 -0.854 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@]1(C)CC[NH+](CC(N)=O)C1 ZINC001046196921 801738151 /nfs/dbraw/zinc/73/81/51/801738151.db2.gz HJEIHRRAMOQEAC-GWCFXTLKSA-N 2 2 268.361 -0.854 20 0 CBADLP C[NH+]1CCC[C@H]1C(=O)N[C@@]1(C)CC[N@H+](CC(N)=O)C1 ZINC001046196921 801738156 /nfs/dbraw/zinc/73/81/56/801738156.db2.gz HJEIHRRAMOQEAC-GWCFXTLKSA-N 2 2 268.361 -0.854 20 0 CBADLP C[NH+]1CCC[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](CC(N)=O)C1 ZINC001046196921 801738159 /nfs/dbraw/zinc/73/81/59/801738159.db2.gz HJEIHRRAMOQEAC-GWCFXTLKSA-N 2 2 268.361 -0.854 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@]2(C)CC[NH+](CCCO)C2)C1 ZINC001046216366 801741836 /nfs/dbraw/zinc/74/18/36/801741836.db2.gz AZWAOIMEEKIRKN-JSGCOSHPSA-N 2 2 285.388 -0.720 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N[C@@]2(C)CC[NH+](CCCO)C2)C1 ZINC001046216366 801741838 /nfs/dbraw/zinc/74/18/38/801741838.db2.gz AZWAOIMEEKIRKN-JSGCOSHPSA-N 2 2 285.388 -0.720 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N[C@@]2(C)CC[N@H+](CCCO)C2)C1 ZINC001046216366 801741841 /nfs/dbraw/zinc/74/18/41/801741841.db2.gz AZWAOIMEEKIRKN-JSGCOSHPSA-N 2 2 285.388 -0.720 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N[C@@]2(C)CC[N@@H+](CCCO)C2)C1 ZINC001046216366 801741845 /nfs/dbraw/zinc/74/18/45/801741845.db2.gz AZWAOIMEEKIRKN-JSGCOSHPSA-N 2 2 285.388 -0.720 20 0 CBADLP COCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001047324736 801834234 /nfs/dbraw/zinc/83/42/34/801834234.db2.gz WGPWCZHLAFDRDH-AGIUHOORSA-N 2 2 285.388 -0.770 20 0 CBADLP COCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001047324736 801834242 /nfs/dbraw/zinc/83/42/42/801834242.db2.gz WGPWCZHLAFDRDH-AGIUHOORSA-N 2 2 285.388 -0.770 20 0 CBADLP COCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001047324736 801834250 /nfs/dbraw/zinc/83/42/50/801834250.db2.gz WGPWCZHLAFDRDH-AGIUHOORSA-N 2 2 285.388 -0.770 20 0 CBADLP COCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001047324736 801834257 /nfs/dbraw/zinc/83/42/57/801834257.db2.gz WGPWCZHLAFDRDH-AGIUHOORSA-N 2 2 285.388 -0.770 20 0 CBADLP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1C[N@H+](CCF)C[C@@H]1O ZINC001047629168 801913078 /nfs/dbraw/zinc/91/30/78/801913078.db2.gz SFHFTIILIKHPGN-WOPDTQHZSA-N 2 2 273.352 -0.589 20 0 CBADLP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001047629168 801913083 /nfs/dbraw/zinc/91/30/83/801913083.db2.gz SFHFTIILIKHPGN-WOPDTQHZSA-N 2 2 273.352 -0.589 20 0 CBADLP CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1C[NH+](CCF)C[C@@H]1O ZINC001047629168 801913088 /nfs/dbraw/zinc/91/30/88/801913088.db2.gz SFHFTIILIKHPGN-WOPDTQHZSA-N 2 2 273.352 -0.589 20 0 CBADLP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1C[NH+](CCF)C[C@@H]1O ZINC001047629168 801913092 /nfs/dbraw/zinc/91/30/92/801913092.db2.gz SFHFTIILIKHPGN-WOPDTQHZSA-N 2 2 273.352 -0.589 20 0 CBADLP NC(=O)C[N@H+]1C[C@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]2C1 ZINC001048970599 801984247 /nfs/dbraw/zinc/98/42/47/801984247.db2.gz RUCFTJKFZFEOJO-TXEJJXNPSA-N 2 2 291.355 -0.851 20 0 CBADLP NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]2C1 ZINC001048970599 801984252 /nfs/dbraw/zinc/98/42/52/801984252.db2.gz RUCFTJKFZFEOJO-TXEJJXNPSA-N 2 2 291.355 -0.851 20 0 CBADLP C[C@@H](O)C[N@H+]1C[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C1 ZINC001049247881 802008703 /nfs/dbraw/zinc/00/87/03/802008703.db2.gz HXEXZGCJVYESDS-UPJWGTAASA-N 2 2 278.356 -0.346 20 0 CBADLP C[C@@H](O)C[N@@H+]1C[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C1 ZINC001049247881 802008708 /nfs/dbraw/zinc/00/87/08/802008708.db2.gz HXEXZGCJVYESDS-UPJWGTAASA-N 2 2 278.356 -0.346 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCO ZINC001049928994 802043595 /nfs/dbraw/zinc/04/35/95/802043595.db2.gz XXBQYHXGOICMGT-CHWSQXEVSA-N 2 2 278.356 -0.059 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCO ZINC001049928994 802043598 /nfs/dbraw/zinc/04/35/98/802043598.db2.gz XXBQYHXGOICMGT-CHWSQXEVSA-N 2 2 278.356 -0.059 20 0 CBADLP NC(=O)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+]1CCCC1 ZINC001049896305 802043726 /nfs/dbraw/zinc/04/37/26/802043726.db2.gz MXGMLYLWJPNDDO-CHWSQXEVSA-N 2 2 294.399 -0.367 20 0 CBADLP NC(=O)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+]1CCCC1 ZINC001049896305 802043729 /nfs/dbraw/zinc/04/37/29/802043729.db2.gz MXGMLYLWJPNDDO-CHWSQXEVSA-N 2 2 294.399 -0.367 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H]3C[NH+](CCO)C[C@H]32)C1 ZINC001050006038 802048631 /nfs/dbraw/zinc/04/86/31/802048631.db2.gz HHCNAHBKCSRJCB-MJBXVCDLSA-N 2 2 297.399 -0.768 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N2CCC[C@H]3C[NH+](CCO)C[C@H]32)C1 ZINC001050006038 802048635 /nfs/dbraw/zinc/04/86/35/802048635.db2.gz HHCNAHBKCSRJCB-MJBXVCDLSA-N 2 2 297.399 -0.768 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N2CCC[C@H]3C[N@H+](CCO)C[C@H]32)C1 ZINC001050006038 802048637 /nfs/dbraw/zinc/04/86/37/802048637.db2.gz HHCNAHBKCSRJCB-MJBXVCDLSA-N 2 2 297.399 -0.768 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N2CCC[C@H]3C[N@@H+](CCO)C[C@H]32)C1 ZINC001050006038 802048641 /nfs/dbraw/zinc/04/86/41/802048641.db2.gz HHCNAHBKCSRJCB-MJBXVCDLSA-N 2 2 297.399 -0.768 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H]3C[NH+](CCO)C[C@H]32)C1 ZINC001050006037 802050403 /nfs/dbraw/zinc/05/04/03/802050403.db2.gz HHCNAHBKCSRJCB-BFHYXJOUSA-N 2 2 297.399 -0.768 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H]3C[NH+](CCO)C[C@H]32)C1 ZINC001050006037 802050411 /nfs/dbraw/zinc/05/04/11/802050411.db2.gz HHCNAHBKCSRJCB-BFHYXJOUSA-N 2 2 297.399 -0.768 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)N2CCC[C@H]3C[N@H+](CCO)C[C@H]32)C1 ZINC001050006037 802050418 /nfs/dbraw/zinc/05/04/18/802050418.db2.gz HHCNAHBKCSRJCB-BFHYXJOUSA-N 2 2 297.399 -0.768 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)N2CCC[C@H]3C[N@@H+](CCO)C[C@H]32)C1 ZINC001050006037 802050422 /nfs/dbraw/zinc/05/04/22/802050422.db2.gz HHCNAHBKCSRJCB-BFHYXJOUSA-N 2 2 297.399 -0.768 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CC2(C1)CC[NH+](CCO)CC2 ZINC001050772705 802072124 /nfs/dbraw/zinc/07/21/24/802072124.db2.gz RTSQSRNDAOHASH-UHFFFAOYSA-N 2 2 278.356 -0.200 20 0 CBADLP CC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001051245245 802130703 /nfs/dbraw/zinc/13/07/03/802130703.db2.gz KGMIFFNQSSLHDJ-RYUDHWBXSA-N 2 2 255.362 -0.225 20 0 CBADLP CC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001051245245 802130706 /nfs/dbraw/zinc/13/07/06/802130706.db2.gz KGMIFFNQSSLHDJ-RYUDHWBXSA-N 2 2 255.362 -0.225 20 0 CBADLP CC[NH+]1CCOC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001051245245 802130709 /nfs/dbraw/zinc/13/07/09/802130709.db2.gz KGMIFFNQSSLHDJ-RYUDHWBXSA-N 2 2 255.362 -0.225 20 0 CBADLP CC[NH+]1CCOC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001051245245 802130712 /nfs/dbraw/zinc/13/07/12/802130712.db2.gz KGMIFFNQSSLHDJ-RYUDHWBXSA-N 2 2 255.362 -0.225 20 0 CBADLP COCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)CO2 ZINC001053756097 802286188 /nfs/dbraw/zinc/28/61/88/802286188.db2.gz OOCVDPRNALUQMU-STQMWFEESA-N 2 2 297.399 -0.314 20 0 CBADLP COCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)CO2 ZINC001053756097 802286193 /nfs/dbraw/zinc/28/61/93/802286193.db2.gz OOCVDPRNALUQMU-STQMWFEESA-N 2 2 297.399 -0.314 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1COC2(C[NH+](CCCO)C2)C1 ZINC001053756457 802287240 /nfs/dbraw/zinc/28/72/40/802287240.db2.gz XFGGLBBPDWNTDT-QWHCGFSZSA-N 2 2 297.399 -0.578 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1COC2(C[NH+](CCCO)C2)C1 ZINC001053756457 802287244 /nfs/dbraw/zinc/28/72/44/802287244.db2.gz XFGGLBBPDWNTDT-QWHCGFSZSA-N 2 2 297.399 -0.578 20 0 CBADLP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1COC2(C[NH+](CCO)C2)C1 ZINC001053927252 802312007 /nfs/dbraw/zinc/31/20/07/802312007.db2.gz WLZVBCSBOSXBOC-QWHCGFSZSA-N 2 2 297.399 -0.578 20 0 CBADLP C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1COC2(C[NH+](CCO)C2)C1 ZINC001053927252 802312015 /nfs/dbraw/zinc/31/20/15/802312015.db2.gz WLZVBCSBOSXBOC-QWHCGFSZSA-N 2 2 297.399 -0.578 20 0 CBADLP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2COC3(C[NH+](CCO)C3)C2)C1 ZINC001053982185 802321866 /nfs/dbraw/zinc/32/18/66/802321866.db2.gz FQXONFKGOMSQKG-QWHCGFSZSA-N 2 2 297.399 -0.720 20 0 CBADLP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2COC3(C[NH+](CCO)C3)C2)C1 ZINC001053982185 802321875 /nfs/dbraw/zinc/32/18/75/802321875.db2.gz FQXONFKGOMSQKG-QWHCGFSZSA-N 2 2 297.399 -0.720 20 0 CBADLP COCC[NH+]1CC2(C1)C[C@@H](NC(=O)C[NH+]1CCCC1)CO2 ZINC001054009239 802322643 /nfs/dbraw/zinc/32/26/43/802322643.db2.gz SAEPTSHUZKDEOI-CYBMUJFWSA-N 2 2 297.399 -0.312 20 0 CBADLP CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)CO2 ZINC001054007571 802323189 /nfs/dbraw/zinc/32/31/89/802323189.db2.gz HFERRBZTUZGVOG-NEPJUHHUSA-N 2 2 267.373 -0.083 20 0 CBADLP CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)CO2 ZINC001054007571 802323198 /nfs/dbraw/zinc/32/31/98/802323198.db2.gz HFERRBZTUZGVOG-NEPJUHHUSA-N 2 2 267.373 -0.083 20 0 CBADLP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2COC3(C[NH+](CCCO)C3)C2)C1 ZINC001054008356 802323831 /nfs/dbraw/zinc/32/38/31/802323831.db2.gz XDGDCRXGMCTFFM-STQMWFEESA-N 2 2 297.399 -0.720 20 0 CBADLP C[N@H+]1CC[C@H](C(=O)N[C@@H]2COC3(C[NH+](CCCO)C3)C2)C1 ZINC001054008356 802323841 /nfs/dbraw/zinc/32/38/41/802323841.db2.gz XDGDCRXGMCTFFM-STQMWFEESA-N 2 2 297.399 -0.720 20 0 CBADLP C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1[NH2+]CC(N)=O ZINC001054925019 802378721 /nfs/dbraw/zinc/37/87/21/802378721.db2.gz KHCJMKAUFAKERF-MNOVXSKESA-N 2 2 293.371 -0.726 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001121935775 813092558 /nfs/dbraw/zinc/09/25/58/813092558.db2.gz CNJTWWYCDCQYFP-NSHDSACASA-N 2 2 263.345 -0.542 20 0 CBADLP COC[C@H]1C[NH2+]CCN1C(=O)C[C@H]([NH3+])C(F)F ZINC001122417306 813162758 /nfs/dbraw/zinc/16/27/58/813162758.db2.gz CYRLESGIFVYFBU-SFYZADRCSA-N 2 2 251.277 -0.584 20 0 CBADLP Cc1ccnc(C[NH2+]CCNC(=O)CC[NH+](C)C)n1 ZINC001133294408 814237086 /nfs/dbraw/zinc/23/70/86/814237086.db2.gz HQINFUFIFTZOSD-UHFFFAOYSA-N 2 2 265.361 -0.057 20 0 CBADLP C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+]CCO ZINC001133353777 814246200 /nfs/dbraw/zinc/24/62/00/814246200.db2.gz HIKVZPUUGIGHBD-CHWSQXEVSA-N 2 2 280.372 -0.050 20 0 CBADLP Cc1nonc1C[NH2+]CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001133842252 814305762 /nfs/dbraw/zinc/30/57/62/814305762.db2.gz ISTWSATVNFTODR-JTQLQIEISA-N 2 2 281.360 -0.074 20 0 CBADLP Cc1nonc1C[NH2+]CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001133842252 814305768 /nfs/dbraw/zinc/30/57/68/814305768.db2.gz ISTWSATVNFTODR-JTQLQIEISA-N 2 2 281.360 -0.074 20 0 CBADLP CC[C@@H](C(=O)NCC[NH2+]Cc1nc(C)no1)[NH+](C)C ZINC001133982455 814333120 /nfs/dbraw/zinc/33/31/20/814333120.db2.gz AQYVKJXHLBATMW-JTQLQIEISA-N 2 2 269.349 -0.076 20 0 CBADLP CN1CC[NH+](CCC(=O)NC(=N)SCC[NH3+])CC1 ZINC001143236416 814765380 /nfs/dbraw/zinc/76/53/80/814765380.db2.gz FQCXFZJKQYMUSV-UHFFFAOYSA-N 2 2 273.406 -0.633 20 0 CBADLP C[C@H](C(=O)NC[C@@H]1C[N@H+](C)CCN1C)n1cc[nH+]c1 ZINC001321717400 803805998 /nfs/dbraw/zinc/80/59/98/803805998.db2.gz ANCDNTIGXSOIPG-VXGBXAGGSA-N 2 2 265.361 -0.194 20 0 CBADLP C[C@H](C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)n1cc[nH+]c1 ZINC001321717400 803806009 /nfs/dbraw/zinc/80/60/09/803806009.db2.gz ANCDNTIGXSOIPG-VXGBXAGGSA-N 2 2 265.361 -0.194 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+]CC(=O)NC1CC1 ZINC001149122872 814971248 /nfs/dbraw/zinc/97/12/48/814971248.db2.gz CUHFVYCCMPJBHG-UHFFFAOYSA-N 2 2 279.344 -0.755 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+]CC(=O)N(C)C(C)C ZINC001149123642 814971848 /nfs/dbraw/zinc/97/18/48/814971848.db2.gz MWONZHLBECQLPV-UHFFFAOYSA-N 2 2 295.387 -0.167 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NC[C@H]1CC[N@@H+]1CCO ZINC001323272249 803999926 /nfs/dbraw/zinc/99/99/26/803999926.db2.gz GUHGMZDMEKGNGV-LLVKDONJSA-N 2 2 252.318 -0.626 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NC[C@H]1CC[N@H+]1CCO ZINC001323272249 803999931 /nfs/dbraw/zinc/99/99/31/803999931.db2.gz GUHGMZDMEKGNGV-LLVKDONJSA-N 2 2 252.318 -0.626 20 0 CBADLP C[C@H]([NH2+]CCNC(=O)CCc1c[nH+]cn1C)C(=O)N(C)C ZINC001149570844 815000366 /nfs/dbraw/zinc/00/03/66/815000366.db2.gz CHNDJJJZSDUNBR-NSHDSACASA-N 2 2 295.387 -0.465 20 0 CBADLP CC[C@@H]([NH2+]CCNC(=O)CCc1c[nH+]cn1C)C(N)=O ZINC001149570904 815000938 /nfs/dbraw/zinc/00/09/38/815000938.db2.gz FKUCOHBQCNGKBS-LLVKDONJSA-N 2 2 281.360 -0.678 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)NCC[NH2+][C@@H]1CCN(C)C1=O ZINC001149570989 815001222 /nfs/dbraw/zinc/00/12/22/815001222.db2.gz KEDWGOPPJQAHSP-GFCCVEGCSA-N 2 2 293.371 -0.711 20 0 CBADLP C[C@H](O)C[N@@H+]1CCCO[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001150371445 815026196 /nfs/dbraw/zinc/02/61/96/815026196.db2.gz IGXCXITTXYMEPF-WCQYABFASA-N 2 2 296.371 -0.460 20 0 CBADLP C[C@H](O)C[N@H+]1CCCO[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001150371445 815026198 /nfs/dbraw/zinc/02/61/98/815026198.db2.gz IGXCXITTXYMEPF-WCQYABFASA-N 2 2 296.371 -0.460 20 0 CBADLP C[C@@H](O)C[N@@H+]1CCCO[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001150371444 815027520 /nfs/dbraw/zinc/02/75/20/815027520.db2.gz IGXCXITTXYMEPF-DGCLKSJQSA-N 2 2 296.371 -0.460 20 0 CBADLP C[C@@H](O)C[N@H+]1CCCO[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001150371444 815027525 /nfs/dbraw/zinc/02/75/25/815027525.db2.gz IGXCXITTXYMEPF-DGCLKSJQSA-N 2 2 296.371 -0.460 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H]1C[N@H+](CCCO)CCCO1 ZINC001150496556 815033372 /nfs/dbraw/zinc/03/33/72/815033372.db2.gz CLZYVEHJIWIQOY-LBPRGKRZSA-N 2 2 296.371 -0.458 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H]1C[N@@H+](CCCO)CCCO1 ZINC001150496556 815033379 /nfs/dbraw/zinc/03/33/79/815033379.db2.gz CLZYVEHJIWIQOY-LBPRGKRZSA-N 2 2 296.371 -0.458 20 0 CBADLP C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]Cc2cnsn2)C1 ZINC001151049254 815053220 /nfs/dbraw/zinc/05/32/20/815053220.db2.gz LKKFZLOATWSQLI-VIFPVBQESA-N 2 2 269.374 -0.304 20 0 CBADLP C[N@H+]1CC[C@H](C(=O)NCC[NH2+]Cc2cnsn2)C1 ZINC001151049254 815053227 /nfs/dbraw/zinc/05/32/27/815053227.db2.gz LKKFZLOATWSQLI-VIFPVBQESA-N 2 2 269.374 -0.304 20 0 CBADLP Cc1nonc1C[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151049389 815053994 /nfs/dbraw/zinc/05/39/94/815053994.db2.gz MWQXFPDLLBDYFI-JTQLQIEISA-N 2 2 267.333 -0.464 20 0 CBADLP Cc1nonc1C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151049389 815053998 /nfs/dbraw/zinc/05/39/98/815053998.db2.gz MWQXFPDLLBDYFI-JTQLQIEISA-N 2 2 267.333 -0.464 20 0 CBADLP C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]Cc2ncccn2)C1 ZINC001151049419 815054468 /nfs/dbraw/zinc/05/44/68/815054468.db2.gz NWMZGAIIPVTEBA-NSHDSACASA-N 2 2 263.345 -0.366 20 0 CBADLP C[N@H+]1CC[C@H](C(=O)NCC[NH2+]Cc2ncccn2)C1 ZINC001151049419 815054472 /nfs/dbraw/zinc/05/44/72/815054472.db2.gz NWMZGAIIPVTEBA-NSHDSACASA-N 2 2 263.345 -0.366 20 0 CBADLP O=C(C[NH+]1CCCC1)NCC[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC001151096980 815060083 /nfs/dbraw/zinc/06/00/83/815060083.db2.gz IPOUBNLBMWOSFW-UHFFFAOYSA-N 2 2 292.387 -0.016 20 0 CBADLP CCn1ncc(C[NH2+]CCNC(=O)C[NH+]2CCCC2)n1 ZINC001151096626 815060596 /nfs/dbraw/zinc/06/05/96/815060596.db2.gz DDQZVIULQHSHCB-UHFFFAOYSA-N 2 2 280.376 -0.400 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC(N)=O)C1 ZINC001071689177 805255963 /nfs/dbraw/zinc/25/59/63/805255963.db2.gz GYYNAVTVWNZVGE-PWSUYJOCSA-N 2 2 293.371 -0.354 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC(N)=O)C1 ZINC001071689177 805255970 /nfs/dbraw/zinc/25/59/70/805255970.db2.gz GYYNAVTVWNZVGE-PWSUYJOCSA-N 2 2 293.371 -0.354 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NCC[NH2+][C@@H](C)c1nncn1C ZINC001151113953 815061338 /nfs/dbraw/zinc/06/13/38/815061338.db2.gz CVTSSBQEWRRLTK-JTQLQIEISA-N 2 2 291.359 -0.213 20 0 CBADLP C[C@@H]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C[N@@H+]1CC(N)=O ZINC001071796948 805266510 /nfs/dbraw/zinc/26/65/10/805266510.db2.gz ZVYOFZLYGWKRTE-DGCLKSJQSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@@H]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C[N@H+]1CC(N)=O ZINC001071796948 805266517 /nfs/dbraw/zinc/26/65/17/805266517.db2.gz ZVYOFZLYGWKRTE-DGCLKSJQSA-N 2 2 296.415 -0.217 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NCC[NH2+][C@H](C)c1nncn1C ZINC001151113954 815062771 /nfs/dbraw/zinc/06/27/71/815062771.db2.gz CVTSSBQEWRRLTK-SNVBAGLBSA-N 2 2 291.359 -0.213 20 0 CBADLP CNC(=O)C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)CC[C@H]1C ZINC001072080860 805284934 /nfs/dbraw/zinc/28/49/34/805284934.db2.gz CRVOCCAKEWRDNR-OLZOCXBDSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)CC[C@H]1C ZINC001072080860 805284941 /nfs/dbraw/zinc/28/49/41/805284941.db2.gz CRVOCCAKEWRDNR-OLZOCXBDSA-N 2 2 296.415 -0.203 20 0 CBADLP C[C@H]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C[N@@H+]1CCO ZINC001072123860 805287197 /nfs/dbraw/zinc/28/71/97/805287197.db2.gz VCGFJXUZBDMDIP-NWDGAFQWSA-N 2 2 266.345 -0.156 20 0 CBADLP C[C@H]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C[N@H+]1CCO ZINC001072123860 805287204 /nfs/dbraw/zinc/28/72/04/805287204.db2.gz VCGFJXUZBDMDIP-NWDGAFQWSA-N 2 2 266.345 -0.156 20 0 CBADLP CCn1ncc(C[NH2+]CCNC(=O)Cn2cc[nH+]c2C)n1 ZINC001151147770 815065762 /nfs/dbraw/zinc/06/57/62/815065762.db2.gz VMNKNWRVOOWGAI-UHFFFAOYSA-N 2 2 291.359 -0.291 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)N1CC2(C1)CC[N@@H+](CCO)C2 ZINC001072803621 805335217 /nfs/dbraw/zinc/33/52/17/805335217.db2.gz BDEGJRUEMMXYPJ-UHFFFAOYSA-N 2 2 278.356 -0.131 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)N1CC2(C1)CC[N@H+](CCO)C2 ZINC001072803621 805335225 /nfs/dbraw/zinc/33/52/25/805335225.db2.gz BDEGJRUEMMXYPJ-UHFFFAOYSA-N 2 2 278.356 -0.131 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)N1CC2(C1)CC[N@@H+](CCO)C2 ZINC001072803621 805335238 /nfs/dbraw/zinc/33/52/38/805335238.db2.gz BDEGJRUEMMXYPJ-UHFFFAOYSA-N 2 2 278.356 -0.131 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)N1CC2(C1)CC[N@H+](CCO)C2 ZINC001072803621 805335245 /nfs/dbraw/zinc/33/52/45/805335245.db2.gz BDEGJRUEMMXYPJ-UHFFFAOYSA-N 2 2 278.356 -0.131 20 0 CBADLP CNC(=O)C[N@@H+]1CCC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001073483908 805373430 /nfs/dbraw/zinc/37/34/30/805373430.db2.gz VFTJJJZKXJFQRX-UHFFFAOYSA-N 2 2 291.355 -0.837 20 0 CBADLP CNC(=O)C[N@H+]1CCC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001073483908 805373441 /nfs/dbraw/zinc/37/34/41/805373441.db2.gz VFTJJJZKXJFQRX-UHFFFAOYSA-N 2 2 291.355 -0.837 20 0 CBADLP C[C@H](O)C[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@H]1C ZINC001074996439 805480462 /nfs/dbraw/zinc/48/04/62/805480462.db2.gz WSTJFOJCQVNIHN-DCAQKATOSA-N 2 2 266.345 -0.088 20 0 CBADLP CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001075643891 805519486 /nfs/dbraw/zinc/51/94/86/805519486.db2.gz ONSPISBGNYEKFM-YNEHKIRRSA-N 2 2 267.373 -0.130 20 0 CBADLP CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001075643891 805519487 /nfs/dbraw/zinc/51/94/87/805519487.db2.gz ONSPISBGNYEKFM-YNEHKIRRSA-N 2 2 267.373 -0.130 20 0 CBADLP CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001075643891 805519491 /nfs/dbraw/zinc/51/94/91/805519491.db2.gz ONSPISBGNYEKFM-YNEHKIRRSA-N 2 2 267.373 -0.130 20 0 CBADLP CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC001075643891 805519493 /nfs/dbraw/zinc/51/94/93/805519493.db2.gz ONSPISBGNYEKFM-YNEHKIRRSA-N 2 2 267.373 -0.130 20 0 CBADLP CC[C@H](C(=O)N1CC[C@H]2C[N@H+](CC(=O)NC)C[C@H]21)[NH+](C)C ZINC001075940618 805544265 /nfs/dbraw/zinc/54/42/65/805544265.db2.gz ZDRZWHHCSYDZCO-YNEHKIRRSA-N 2 2 296.415 -0.395 20 0 CBADLP CC[C@H](C(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC)C[C@H]21)[NH+](C)C ZINC001075940618 805544271 /nfs/dbraw/zinc/54/42/71/805544271.db2.gz ZDRZWHHCSYDZCO-YNEHKIRRSA-N 2 2 296.415 -0.395 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2ccn(C)n2)C1 ZINC001151749075 815089194 /nfs/dbraw/zinc/08/91/94/815089194.db2.gz NRBUJUPCILWSLV-ZDUSSCGKSA-N 2 2 295.387 -0.653 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2ccn(C)n2)C1 ZINC001151749075 815089200 /nfs/dbraw/zinc/08/92/00/815089200.db2.gz NRBUJUPCILWSLV-ZDUSSCGKSA-N 2 2 295.387 -0.653 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2cnc(C)o2)C1 ZINC001151738306 815090639 /nfs/dbraw/zinc/09/06/39/815090639.db2.gz HOXGLEOFCOJNHH-CYBMUJFWSA-N 2 2 296.371 -0.090 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2cnc(C)o2)C1 ZINC001151738306 815090644 /nfs/dbraw/zinc/09/06/44/815090644.db2.gz HOXGLEOFCOJNHH-CYBMUJFWSA-N 2 2 296.371 -0.090 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2ccn(C)n2)C1 ZINC001151749074 815091000 /nfs/dbraw/zinc/09/10/00/815091000.db2.gz NRBUJUPCILWSLV-CYBMUJFWSA-N 2 2 295.387 -0.653 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2ccn(C)n2)C1 ZINC001151749074 815091006 /nfs/dbraw/zinc/09/10/06/815091006.db2.gz NRBUJUPCILWSLV-CYBMUJFWSA-N 2 2 295.387 -0.653 20 0 CBADLP COCC[NH2+]CCNC(=O)[C@H](C1CC1)[NH+]1CCOCC1 ZINC001151813856 815095268 /nfs/dbraw/zinc/09/52/68/815095268.db2.gz ASSAAVMAJNUFEX-ZDUSSCGKSA-N 2 2 285.388 -0.551 20 0 CBADLP CO[C@H](C)C[NH2+]CCNC(=O)[C@H](C1CC1)[NH+]1CCOCC1 ZINC001151815070 815095502 /nfs/dbraw/zinc/09/55/02/815095502.db2.gz QBDOWXYSJUQKNS-OCCSQVGLSA-N 2 2 299.415 -0.162 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]CCNC(=O)CCCn1cc[nH+]c1 ZINC001153344410 815159710 /nfs/dbraw/zinc/15/97/10/815159710.db2.gz CHIVLJCMQAFPDZ-NSHDSACASA-N 2 2 281.360 -0.496 20 0 CBADLP Cn1nncc1C[NH2+]CCNC(=O)CCCn1cc[nH+]c1 ZINC001153345524 815160006 /nfs/dbraw/zinc/16/00/06/815160006.db2.gz YYGTUUOMZKXNSI-UHFFFAOYSA-N 2 2 291.359 -0.302 20 0 CBADLP CCN(CC)C(=O)[C@@H](C)[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153500334 815164458 /nfs/dbraw/zinc/16/44/58/815164458.db2.gz KBVLKWIBWAGTIP-GFCCVEGCSA-N 2 2 295.387 -0.154 20 0 CBADLP CC[C@@H](C)NC(=O)[C@H](C)[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153500875 815164937 /nfs/dbraw/zinc/16/49/37/815164937.db2.gz XZDDRUWVZMUMDG-NEPJUHHUSA-N 2 2 295.387 -0.108 20 0 CBADLP CC(C)CNC(=O)[C@H](C)[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153500282 815165013 /nfs/dbraw/zinc/16/50/13/815165013.db2.gz IPOPMAIHUPRHGA-LBPRGKRZSA-N 2 2 295.387 -0.250 20 0 CBADLP O=C(Cn1cc[nH+]c1)NCC[NH2+]C[C@@H]1CCc2ncnn21 ZINC001153495820 815165023 /nfs/dbraw/zinc/16/50/23/815165023.db2.gz OPLNJFMJFQUFAX-NSHDSACASA-N 2 2 289.343 -0.632 20 0 CBADLP CN(C(=O)C[NH2+]CCNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001153487810 815165090 /nfs/dbraw/zinc/16/50/90/815165090.db2.gz QYONCGXVOHVLQM-UHFFFAOYSA-N 2 2 279.344 -0.790 20 0 CBADLP CC[N@H+](CC(=O)NC)[C@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001154528809 815224348 /nfs/dbraw/zinc/22/43/48/815224348.db2.gz KBNMSVSNINBTJL-GFCCVEGCSA-N 2 2 295.387 -0.154 20 0 CBADLP CC[N@@H+](CC(=O)NC)[C@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001154528809 815224351 /nfs/dbraw/zinc/22/43/51/815224351.db2.gz KBNMSVSNINBTJL-GFCCVEGCSA-N 2 2 295.387 -0.154 20 0 CBADLP Cc1nc(N[C@@H](C)CN2CC[NH2+]CC2)nc(N(C)C)[nH+]1 ZINC001154751738 815237661 /nfs/dbraw/zinc/23/76/61/815237661.db2.gz IWPVHGLTQNDKII-JTQLQIEISA-N 2 2 279.392 -0.048 20 0 CBADLP [NH3+]CC1C[NH+]([C@H]2CCCN(c3ncc4c(n3)C[NH2+]C4)C2)C1 ZINC001155372823 815279748 /nfs/dbraw/zinc/27/97/48/815279748.db2.gz KWMAXRWMZIXYEB-ZDUSSCGKSA-N 3 2 288.399 -0.061 20 0 CBADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H](CCO)C1 ZINC001160611848 815645170 /nfs/dbraw/zinc/64/51/70/815645170.db2.gz XHCONJPAJCYSLE-ZYHUDNBSSA-N 2 2 266.345 -0.100 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]Cc2csnn2)C1 ZINC001156145236 815339822 /nfs/dbraw/zinc/33/98/22/815339822.db2.gz KMDPMUDCROYZCU-LLVKDONJSA-N 2 2 299.400 -0.535 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]Cc2csnn2)C1 ZINC001156145236 815339829 /nfs/dbraw/zinc/33/98/29/815339829.db2.gz KMDPMUDCROYZCU-LLVKDONJSA-N 2 2 299.400 -0.535 20 0 CBADLP O=C(NC[C@H]1C[C@H]([NH2+]CCO)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC001086404961 810268100 /nfs/dbraw/zinc/26/81/00/810268100.db2.gz VGOWRBQSISYBJL-AVGNSLFASA-N 2 2 292.383 -0.078 20 0 CBADLP O=C(NC[C@H]1C[C@H]([NH2+]CCO)C1)[C@H]1CCc2c[nH+]cn2C1 ZINC001086408577 810268950 /nfs/dbraw/zinc/26/89/50/810268950.db2.gz UEGJHVSUZOTFDW-AVGNSLFASA-N 2 2 292.383 -0.078 20 0 CBADLP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1CC(=O)NC ZINC001087829448 810306809 /nfs/dbraw/zinc/30/68/09/810306809.db2.gz CQMMQRFCUSIQIK-QWHCGFSZSA-N 2 2 296.415 -0.203 20 0 CBADLP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1CC(=O)NC ZINC001087829448 810306818 /nfs/dbraw/zinc/30/68/18/810306818.db2.gz CQMMQRFCUSIQIK-QWHCGFSZSA-N 2 2 296.415 -0.203 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2C[N@H+](CCO)CC[C@@H]2C1 ZINC001088121412 810322705 /nfs/dbraw/zinc/32/27/05/810322705.db2.gz DWTCRXKYKNCWNI-NEPJUHHUSA-N 2 2 278.356 -0.275 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2C[N@@H+](CCO)CC[C@@H]2C1 ZINC001088121412 810322719 /nfs/dbraw/zinc/32/27/19/810322719.db2.gz DWTCRXKYKNCWNI-NEPJUHHUSA-N 2 2 278.356 -0.275 20 0 CBADLP NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC001088219773 810322822 /nfs/dbraw/zinc/32/28/22/810322822.db2.gz VITFPOZDYVDBMF-NEPJUHHUSA-N 2 2 291.355 -0.851 20 0 CBADLP NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC001088219773 810322827 /nfs/dbraw/zinc/32/28/27/810322827.db2.gz VITFPOZDYVDBMF-NEPJUHHUSA-N 2 2 291.355 -0.851 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](CC(N)=O)[C@@H]1C ZINC001089041102 810375149 /nfs/dbraw/zinc/37/51/49/810375149.db2.gz CQFBLFKVRNQUMD-KOLCDFICSA-N 2 2 279.344 -0.744 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](CC(N)=O)[C@@H]1C ZINC001089041102 810375153 /nfs/dbraw/zinc/37/51/53/810375153.db2.gz CQFBLFKVRNQUMD-KOLCDFICSA-N 2 2 279.344 -0.744 20 0 CBADLP O=C1CC[C@@H](Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)C(=O)N1 ZINC001156720015 815376235 /nfs/dbraw/zinc/37/62/35/815376235.db2.gz DHCHIQBJWJEDQR-LLVKDONJSA-N 2 2 289.339 -0.292 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](CCF)C[C@@H]1O ZINC001090434142 810499638 /nfs/dbraw/zinc/49/96/38/810499638.db2.gz VQSLEWUDJCISGH-RYUDHWBXSA-N 2 2 284.335 -0.288 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](CCF)C[C@@H]1O ZINC001090434142 810499642 /nfs/dbraw/zinc/49/96/42/810499642.db2.gz VQSLEWUDJCISGH-RYUDHWBXSA-N 2 2 284.335 -0.288 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@H+](CCCO)C[C@@H]1O ZINC001090762965 810562323 /nfs/dbraw/zinc/56/23/23/810562323.db2.gz CRYUZVDGCZBHJQ-AAEUAGOBSA-N 2 2 296.371 -0.806 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001090762965 810562330 /nfs/dbraw/zinc/56/23/30/810562330.db2.gz CRYUZVDGCZBHJQ-AAEUAGOBSA-N 2 2 296.371 -0.806 20 0 CBADLP CC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](O)C1 ZINC001090763157 810562918 /nfs/dbraw/zinc/56/29/18/810562918.db2.gz DYVYASWMTLHORU-JQWIXIFHSA-N 2 2 266.345 -0.168 20 0 CBADLP CC[N@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](O)C1 ZINC001090763157 810562925 /nfs/dbraw/zinc/56/29/25/810562925.db2.gz DYVYASWMTLHORU-JQWIXIFHSA-N 2 2 266.345 -0.168 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](CCF)C[C@H]1O ZINC001090810372 810568957 /nfs/dbraw/zinc/56/89/57/810568957.db2.gz XFZKNXMFKYYCQL-VXGBXAGGSA-N 2 2 284.335 -0.288 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](CCF)C[C@H]1O ZINC001090810372 810568964 /nfs/dbraw/zinc/56/89/64/810568964.db2.gz XFZKNXMFKYYCQL-VXGBXAGGSA-N 2 2 284.335 -0.288 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](CCF)C[C@@H]1O ZINC001090810370 810571007 /nfs/dbraw/zinc/57/10/07/810571007.db2.gz XFZKNXMFKYYCQL-RYUDHWBXSA-N 2 2 284.335 -0.288 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](CCF)C[C@@H]1O ZINC001090810370 810571012 /nfs/dbraw/zinc/57/10/12/810571012.db2.gz XFZKNXMFKYYCQL-RYUDHWBXSA-N 2 2 284.335 -0.288 20 0 CBADLP COCC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](O)C1 ZINC001090847469 810575665 /nfs/dbraw/zinc/57/56/65/810575665.db2.gz VOPIHCGRULNXRF-VXGBXAGGSA-N 2 2 282.344 -0.919 20 0 CBADLP COCC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](O)C1 ZINC001090847469 810575668 /nfs/dbraw/zinc/57/56/68/810575668.db2.gz VOPIHCGRULNXRF-VXGBXAGGSA-N 2 2 282.344 -0.919 20 0 CBADLP Cc1cc(NCCNC(=O)[C@H]2C[N@H+](C)CCO2)nc(C)[nH+]1 ZINC001093543174 810667305 /nfs/dbraw/zinc/66/73/05/810667305.db2.gz CDDZFIBPKCVVKY-GFCCVEGCSA-N 2 2 293.371 -0.048 20 0 CBADLP Cc1cc(NCCNC(=O)[C@H]2C[N@@H+](C)CCO2)nc(C)[nH+]1 ZINC001093543174 810667309 /nfs/dbraw/zinc/66/73/09/810667309.db2.gz CDDZFIBPKCVVKY-GFCCVEGCSA-N 2 2 293.371 -0.048 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCO ZINC001096350174 810775975 /nfs/dbraw/zinc/77/59/75/810775975.db2.gz XVTOAGBUQPVZTJ-WXHSDQCUSA-N 2 2 278.356 -0.324 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO ZINC001096350174 810775981 /nfs/dbraw/zinc/77/59/81/810775981.db2.gz XVTOAGBUQPVZTJ-WXHSDQCUSA-N 2 2 278.356 -0.324 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001097553056 810807535 /nfs/dbraw/zinc/80/75/35/810807535.db2.gz MICCLQVZVGBWEU-UTUOFQBUSA-N 2 2 291.355 -0.602 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001097553056 810807542 /nfs/dbraw/zinc/80/75/42/810807542.db2.gz MICCLQVZVGBWEU-UTUOFQBUSA-N 2 2 291.355 -0.602 20 0 CBADLP CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001098393656 810845006 /nfs/dbraw/zinc/84/50/06/810845006.db2.gz BDWDHYVZUPKTMX-LOWDOPEQSA-N 2 2 294.399 -0.594 20 0 CBADLP CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001098393656 810845013 /nfs/dbraw/zinc/84/50/13/810845013.db2.gz BDWDHYVZUPKTMX-LOWDOPEQSA-N 2 2 294.399 -0.594 20 0 CBADLP CNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001098393656 810845021 /nfs/dbraw/zinc/84/50/21/810845021.db2.gz BDWDHYVZUPKTMX-LOWDOPEQSA-N 2 2 294.399 -0.594 20 0 CBADLP CNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001098393656 810845029 /nfs/dbraw/zinc/84/50/29/810845029.db2.gz BDWDHYVZUPKTMX-LOWDOPEQSA-N 2 2 294.399 -0.594 20 0 CBADLP O=C(NCc1cc2n(n1)CCCO2)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001157082231 815403911 /nfs/dbraw/zinc/40/39/11/815403911.db2.gz IWKXEVMXERNFIG-YGRLFVJLSA-N 2 2 291.355 -0.767 20 0 CBADLP [NH3+]C1(C(=O)NCc2cc3n(n2)CCCO3)CC[NH2+]CC1 ZINC001157084152 815403989 /nfs/dbraw/zinc/40/39/89/815403989.db2.gz ZWDZJWLPJRIHEV-UHFFFAOYSA-N 2 2 279.344 -0.637 20 0 CBADLP O=C(NCc1cc2n(n1)CCCO2)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001157082128 815404197 /nfs/dbraw/zinc/40/41/97/815404197.db2.gz IWKXEVMXERNFIG-HZMBPMFUSA-N 2 2 291.355 -0.767 20 0 CBADLP COCC[N@@H+]1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001099804318 810944269 /nfs/dbraw/zinc/94/42/69/810944269.db2.gz LPBXBSSDDMBWBV-RYUDHWBXSA-N 2 2 296.371 -0.460 20 0 CBADLP COCC[N@H+]1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001099804318 810944274 /nfs/dbraw/zinc/94/42/74/810944274.db2.gz LPBXBSSDDMBWBV-RYUDHWBXSA-N 2 2 296.371 -0.460 20 0 CBADLP COCC[N@@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)[C@H](O)C1 ZINC001099872118 810958142 /nfs/dbraw/zinc/95/81/42/810958142.db2.gz PCWMMASKNQOEEI-QWHCGFSZSA-N 2 2 296.371 -0.460 20 0 CBADLP COCC[N@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)[C@H](O)C1 ZINC001099872118 810958145 /nfs/dbraw/zinc/95/81/45/810958145.db2.gz PCWMMASKNQOEEI-QWHCGFSZSA-N 2 2 296.371 -0.460 20 0 CBADLP C[N@H+](CC(=O)N[C@@H]1CC[NH+](CCF)C[C@@H]1O)C1CCC1 ZINC001099879517 810959127 /nfs/dbraw/zinc/95/91/27/810959127.db2.gz LARCMLSHBRMTDE-OLZOCXBDSA-N 2 2 287.379 -0.008 20 0 CBADLP C[N@@H+](CC(=O)N[C@@H]1CC[NH+](CCF)C[C@@H]1O)C1CCC1 ZINC001099879517 810959129 /nfs/dbraw/zinc/95/91/29/810959129.db2.gz LARCMLSHBRMTDE-OLZOCXBDSA-N 2 2 287.379 -0.008 20 0 CBADLP C[NH+](CC(=O)N[C@@H]1CC[N@H+](CCF)C[C@@H]1O)C1CCC1 ZINC001099879517 810959131 /nfs/dbraw/zinc/95/91/31/810959131.db2.gz LARCMLSHBRMTDE-OLZOCXBDSA-N 2 2 287.379 -0.008 20 0 CBADLP C[NH+](CC(=O)N[C@@H]1CC[N@@H+](CCF)C[C@@H]1O)C1CCC1 ZINC001099879517 810959132 /nfs/dbraw/zinc/95/91/32/810959132.db2.gz LARCMLSHBRMTDE-OLZOCXBDSA-N 2 2 287.379 -0.008 20 0 CBADLP COCCC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](O)C1 ZINC001100016865 810994262 /nfs/dbraw/zinc/99/42/62/810994262.db2.gz AMLLGYWBVTUCRA-QWHCGFSZSA-N 2 2 296.371 -0.460 20 0 CBADLP COCCC[N@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](O)C1 ZINC001100016865 810994267 /nfs/dbraw/zinc/99/42/67/810994267.db2.gz AMLLGYWBVTUCRA-QWHCGFSZSA-N 2 2 296.371 -0.460 20 0 CBADLP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CCF)C[C@@H]1O ZINC001100083830 811017533 /nfs/dbraw/zinc/01/75/33/811017533.db2.gz WFZAQBFDQFISHB-RYUDHWBXSA-N 2 2 275.368 -0.151 20 0 CBADLP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CCF)C[C@@H]1O ZINC001100083830 811017539 /nfs/dbraw/zinc/01/75/39/811017539.db2.gz WFZAQBFDQFISHB-RYUDHWBXSA-N 2 2 275.368 -0.151 20 0 CBADLP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](CCF)C[C@@H]1O ZINC001100083830 811017548 /nfs/dbraw/zinc/01/75/48/811017548.db2.gz WFZAQBFDQFISHB-RYUDHWBXSA-N 2 2 275.368 -0.151 20 0 CBADLP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CCF)C[C@@H]1O ZINC001100083830 811017550 /nfs/dbraw/zinc/01/75/50/811017550.db2.gz WFZAQBFDQFISHB-RYUDHWBXSA-N 2 2 275.368 -0.151 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CCF)C[C@@H]1O ZINC001100132767 811027853 /nfs/dbraw/zinc/02/78/53/811027853.db2.gz YSUCFJGJQKESBJ-NEPJUHHUSA-N 2 2 275.368 -0.153 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](CCF)C[C@@H]1O ZINC001100132767 811027863 /nfs/dbraw/zinc/02/78/63/811027863.db2.gz YSUCFJGJQKESBJ-NEPJUHHUSA-N 2 2 275.368 -0.153 20 0 CBADLP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@H+](CCF)C[C@@H]1O ZINC001100132767 811027870 /nfs/dbraw/zinc/02/78/70/811027870.db2.gz YSUCFJGJQKESBJ-NEPJUHHUSA-N 2 2 275.368 -0.153 20 0 CBADLP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](CCF)C[C@@H]1O ZINC001100132767 811027876 /nfs/dbraw/zinc/02/78/76/811027876.db2.gz YSUCFJGJQKESBJ-NEPJUHHUSA-N 2 2 275.368 -0.153 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](CCF)C[C@H]1O ZINC001100132768 811027913 /nfs/dbraw/zinc/02/79/13/811027913.db2.gz YSUCFJGJQKESBJ-NWDGAFQWSA-N 2 2 275.368 -0.153 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CCF)C[C@H]1O ZINC001100132768 811027924 /nfs/dbraw/zinc/02/79/24/811027924.db2.gz YSUCFJGJQKESBJ-NWDGAFQWSA-N 2 2 275.368 -0.153 20 0 CBADLP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@H+](CCF)C[C@H]1O ZINC001100132768 811027928 /nfs/dbraw/zinc/02/79/28/811027928.db2.gz YSUCFJGJQKESBJ-NWDGAFQWSA-N 2 2 275.368 -0.153 20 0 CBADLP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CCF)C[C@H]1O ZINC001100132768 811027937 /nfs/dbraw/zinc/02/79/37/811027937.db2.gz YSUCFJGJQKESBJ-NWDGAFQWSA-N 2 2 275.368 -0.153 20 0 CBADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001100139877 811028374 /nfs/dbraw/zinc/02/83/74/811028374.db2.gz YAFHFFLPHOLRQR-CHWSQXEVSA-N 2 2 296.371 -0.793 20 0 CBADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1CC[N@H+](CCO)C[C@H]1O ZINC001100139877 811028379 /nfs/dbraw/zinc/02/83/79/811028379.db2.gz YAFHFFLPHOLRQR-CHWSQXEVSA-N 2 2 296.371 -0.793 20 0 CBADLP CCOCC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001100137252 811028483 /nfs/dbraw/zinc/02/84/83/811028483.db2.gz YGQPVOQORDPYRQ-OLZOCXBDSA-N 2 2 296.371 -0.529 20 0 CBADLP CCOCC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001100137252 811028493 /nfs/dbraw/zinc/02/84/93/811028493.db2.gz YGQPVOQORDPYRQ-OLZOCXBDSA-N 2 2 296.371 -0.529 20 0 CBADLP Cn1nnnc1C[NH2+]CCCNC(=O)CCc1[nH]cc[nH+]1 ZINC001157256973 815415462 /nfs/dbraw/zinc/41/54/62/815415462.db2.gz NBPSNUJZMTVFPH-UHFFFAOYSA-N 2 2 292.347 -0.838 20 0 CBADLP CCN(C)C(=O)C[NH2+]CCCNC(=O)CCc1[nH]cc[nH+]1 ZINC001157256913 815415637 /nfs/dbraw/zinc/41/56/37/815415637.db2.gz KVZNLVCMKWDBSJ-UHFFFAOYSA-N 2 2 295.387 -0.084 20 0 CBADLP CNC(=O)C[NH2+]CCCNC(=O)CCc1[nH]cc[nH+]1 ZINC001157256346 815415813 /nfs/dbraw/zinc/41/58/13/815415813.db2.gz IXAINBYOQZFBBA-UHFFFAOYSA-N 2 2 267.333 -0.816 20 0 CBADLP O=C(CCn1cc[nH+]c1)NCC1CC([NH2+]CCO)C1 ZINC001100551692 811062780 /nfs/dbraw/zinc/06/27/80/811062780.db2.gz PCCQMOZUSXZNHE-UHFFFAOYSA-N 2 2 266.345 -0.250 20 0 CBADLP C[C@@H]([NH2+]C1CC(CNC(=O)Cc2c[nH]c[nH+]2)C1)C(N)=O ZINC001100710264 811074133 /nfs/dbraw/zinc/07/41/33/811074133.db2.gz KEGNTXUOFQRJQC-XNWIYYODSA-N 2 2 279.344 -0.690 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]C1CC(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001100710096 811074295 /nfs/dbraw/zinc/07/42/95/811074295.db2.gz BQXSYPVORRWPGY-KPPDAEKUSA-N 2 2 293.371 -0.429 20 0 CBADLP CNC(=O)C[NH2+]C1CC(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001100706379 811075192 /nfs/dbraw/zinc/07/51/92/811075192.db2.gz DZKQFHICYIJEIE-UHFFFAOYSA-N 2 2 279.344 -0.817 20 0 CBADLP CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001157293858 815419986 /nfs/dbraw/zinc/41/99/86/815419986.db2.gz MOZOQCKBMFLGND-SNVBAGLBSA-N 2 2 267.333 -0.805 20 0 CBADLP CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001157293858 815419989 /nfs/dbraw/zinc/41/99/89/815419989.db2.gz MOZOQCKBMFLGND-SNVBAGLBSA-N 2 2 267.333 -0.805 20 0 CBADLP C[C@@H]([NH2+]C1CC(CNC(=O)Cn2cc[nH+]c2)C1)C(N)=O ZINC001101068906 811092895 /nfs/dbraw/zinc/09/28/95/811092895.db2.gz CRSDPRRMVKCNIG-KPPDAEKUSA-N 2 2 279.344 -0.759 20 0 CBADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1CC[NH2+]CC(N)=O ZINC001104836219 811212740 /nfs/dbraw/zinc/21/27/40/811212740.db2.gz ADNAREIJKFRJKT-GHMZBOCLSA-N 2 2 293.371 -0.488 20 0 CBADLP N=C(NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)n1nnc2ccccc21 ZINC001157421806 815431580 /nfs/dbraw/zinc/43/15/80/815431580.db2.gz IVHDVVUOUKWZNI-INTQDDNPSA-N 2 2 299.338 -0.720 20 0 CBADLP C[C@H](NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1)[C@@H]1CCCO1 ZINC001157423611 815432909 /nfs/dbraw/zinc/43/29/09/815432909.db2.gz MRWCMAGQNHGTQC-GDPRMGEGSA-N 2 2 252.318 -0.037 20 0 CBADLP Cn1cc[nH+]c1CCNC(=O)[C@]1(N)CCC[NH2+]C1 ZINC001157424071 815432922 /nfs/dbraw/zinc/43/29/22/815432922.db2.gz VPCLXTZAFLKPRV-LBPRGKRZSA-N 2 2 251.334 -0.840 20 0 CBADLP Cc1cc(N(C(N)=[NH2+])C(=O)[C@@H]([NH3+])CCC[NH3+])n[nH]1 ZINC001157440370 815434177 /nfs/dbraw/zinc/43/41/77/815434177.db2.gz UHRXKJXQOGNVMG-ZETCQYMHSA-N 3 2 253.310 -0.989 20 0 CBADLP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N1CC[NH+](C)CC1 ZINC001157451345 815435829 /nfs/dbraw/zinc/43/58/29/815435829.db2.gz UDCNMXPFZZZEOQ-NSHDSACASA-N 2 2 270.377 -0.750 20 0 CBADLP C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C[NH2+]CC(N)=O ZINC001106064566 811292056 /nfs/dbraw/zinc/29/20/56/811292056.db2.gz CYBPNVPCEIYKJD-GHMZBOCLSA-N 2 2 293.371 -0.488 20 0 CBADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C[NH2+]CC(N)=O ZINC001106498583 811307295 /nfs/dbraw/zinc/30/72/95/811307295.db2.gz FDMHTBBJRSNJFC-VXGBXAGGSA-N 2 2 293.371 -0.557 20 0 CBADLP CCCN(CCOC)C(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001157486211 815439085 /nfs/dbraw/zinc/43/90/85/815439085.db2.gz SQLIJUMXQWCZFX-YPMHNXCESA-N 2 2 255.362 -0.177 20 0 CBADLP COC(=O)[C@@H]1C[C@H](C(=O)N2C[C@@H](F)[C@@H]([NH3+])C2)CC[NH2+]1 ZINC001157536233 815442192 /nfs/dbraw/zinc/44/21/92/815442192.db2.gz JGVHNCLWSFZSJJ-IMSYWVGJSA-N 2 2 273.308 -0.965 20 0 CBADLP COCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001107816965 811375579 /nfs/dbraw/zinc/37/55/79/811375579.db2.gz KXVUWIJEPXXABR-UKRRQHHQSA-N 2 2 299.415 -0.066 20 0 CBADLP COCC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001107816965 811375589 /nfs/dbraw/zinc/37/55/89/811375589.db2.gz KXVUWIJEPXXABR-UKRRQHHQSA-N 2 2 299.415 -0.066 20 0 CBADLP COCC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001107816965 811375598 /nfs/dbraw/zinc/37/55/98/811375598.db2.gz KXVUWIJEPXXABR-UKRRQHHQSA-N 2 2 299.415 -0.066 20 0 CBADLP COCC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001107816965 811375608 /nfs/dbraw/zinc/37/56/08/811375608.db2.gz KXVUWIJEPXXABR-UKRRQHHQSA-N 2 2 299.415 -0.066 20 0 CBADLP CCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001107839603 811381003 /nfs/dbraw/zinc/38/10/03/811381003.db2.gz QTGDHSRDFNSBID-DZGCQCFKSA-N 2 2 299.415 -0.066 20 0 CBADLP CCC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001107839603 811381010 /nfs/dbraw/zinc/38/10/10/811381010.db2.gz QTGDHSRDFNSBID-DZGCQCFKSA-N 2 2 299.415 -0.066 20 0 CBADLP CCC[NH+]1CCO[C@](C)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001107839603 811381021 /nfs/dbraw/zinc/38/10/21/811381021.db2.gz QTGDHSRDFNSBID-DZGCQCFKSA-N 2 2 299.415 -0.066 20 0 CBADLP CCC[NH+]1CCO[C@](C)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001107839603 811381030 /nfs/dbraw/zinc/38/10/30/811381030.db2.gz QTGDHSRDFNSBID-DZGCQCFKSA-N 2 2 299.415 -0.066 20 0 CBADLP [NH3+][C@H]1CN(C(=O)c2n[nH]c3c2C[NH2+]CC3)C[C@H]1F ZINC001157560741 815446233 /nfs/dbraw/zinc/44/62/33/815446233.db2.gz ZZAGDMDNMZASSV-SFYZADRCSA-N 2 2 253.281 -0.823 20 0 CBADLP C[C@H]1CC[N@H+](CC(=O)NC[C@@]2(C)C[NH+](CCO)CCO2)C1 ZINC001108216308 811425649 /nfs/dbraw/zinc/42/56/49/811425649.db2.gz WGQWKPADTZFPII-ZFWWWQNUSA-N 2 2 299.415 -0.472 20 0 CBADLP C[C@H]1CC[N@@H+](CC(=O)NC[C@@]2(C)C[NH+](CCO)CCO2)C1 ZINC001108216308 811425653 /nfs/dbraw/zinc/42/56/53/811425653.db2.gz WGQWKPADTZFPII-ZFWWWQNUSA-N 2 2 299.415 -0.472 20 0 CBADLP C[C@H]1CC[NH+](CC(=O)NC[C@@]2(C)C[N@H+](CCO)CCO2)C1 ZINC001108216308 811425657 /nfs/dbraw/zinc/42/56/57/811425657.db2.gz WGQWKPADTZFPII-ZFWWWQNUSA-N 2 2 299.415 -0.472 20 0 CBADLP C[C@H]1CC[NH+](CC(=O)NC[C@@]2(C)C[N@@H+](CCO)CCO2)C1 ZINC001108216308 811425659 /nfs/dbraw/zinc/42/56/59/811425659.db2.gz WGQWKPADTZFPII-ZFWWWQNUSA-N 2 2 299.415 -0.472 20 0 CBADLP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O)[NH+](C)C ZINC001109427920 811496564 /nfs/dbraw/zinc/49/65/64/811496564.db2.gz CDIRDWDNDVBRAV-UHXUPSOCSA-N 2 2 296.415 -0.221 20 0 CBADLP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O)[NH+](C)C ZINC001109427920 811496569 /nfs/dbraw/zinc/49/65/69/811496569.db2.gz CDIRDWDNDVBRAV-UHXUPSOCSA-N 2 2 296.415 -0.221 20 0 CBADLP COC1(C)CCN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)CC1 ZINC001157689230 815452407 /nfs/dbraw/zinc/45/24/07/815452407.db2.gz PPSJAURFOHEJDN-SDDRHHMPSA-N 2 2 267.373 -0.036 20 0 CBADLP COC1(C)CCN(C(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)CC1 ZINC001157689295 815454635 /nfs/dbraw/zinc/45/46/35/815454635.db2.gz UFQNAKGNTMSRAC-SMDDNHRTSA-N 2 2 267.373 -0.035 20 0 CBADLP O=C(N1CC(F)(C2CC2)C1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001157702999 815454758 /nfs/dbraw/zinc/45/47/58/815454758.db2.gz GTTYSKNNDXIKFQ-MFKMUULPSA-N 2 2 253.321 -0.102 20 0 CBADLP O=C(N1Cc2cncnc2C1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001157708457 815455803 /nfs/dbraw/zinc/45/58/03/815455803.db2.gz QIRLQQIEJXYXJO-GXFFZTMASA-N 2 2 259.313 -0.730 20 0 CBADLP COC(=O)[C@]1(F)CCN(C(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)C1 ZINC001157717204 815457168 /nfs/dbraw/zinc/45/71/68/815457168.db2.gz YPTMGEKLYRBDQQ-SKDRFNHKSA-N 2 2 284.291 -0.607 20 0 CBADLP COCCC[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001112739509 811592173 /nfs/dbraw/zinc/59/21/73/811592173.db2.gz ATFFYTZMSVMXJT-ZDUSSCGKSA-N 2 2 285.388 -0.502 20 0 CBADLP COCCC[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001112739509 811592175 /nfs/dbraw/zinc/59/21/75/811592175.db2.gz ATFFYTZMSVMXJT-ZDUSSCGKSA-N 2 2 285.388 -0.502 20 0 CBADLP O=C(N1CCC[C@H](F)C(=O)C1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001157731048 815459674 /nfs/dbraw/zinc/45/96/74/815459674.db2.gz UXVNOGIHEGQWSA-NRUUGDAUSA-N 2 2 269.320 -0.533 20 0 CBADLP [NH3+]C[C@]1(F)CCCN(C(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)CC1 ZINC001157740888 815460367 /nfs/dbraw/zinc/46/03/67/815460367.db2.gz QPFJSCUMGFNKBH-XBFCOCLRSA-N 3 2 284.379 -0.383 20 0 CBADLP [NH3+]C[C@]1(F)CCCN(C(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)CC1 ZINC001157740708 815460578 /nfs/dbraw/zinc/46/05/78/815460578.db2.gz QPFJSCUMGFNKBH-KWCYVHTRSA-N 3 2 284.379 -0.383 20 0 CBADLP COCCC[NH+]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001113007046 811615273 /nfs/dbraw/zinc/61/52/73/811615273.db2.gz JOJIDNRBAOAKGP-ZIAGYGMSSA-N 2 2 299.415 -0.114 20 0 CBADLP COCCC[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001113007046 811615276 /nfs/dbraw/zinc/61/52/76/811615276.db2.gz JOJIDNRBAOAKGP-ZIAGYGMSSA-N 2 2 299.415 -0.114 20 0 CBADLP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](CCOCCO)CC1 ZINC001113018854 811615555 /nfs/dbraw/zinc/61/55/55/811615555.db2.gz CIFLRBIAKDAIGR-CQSZACIVSA-N 2 2 299.415 -0.376 20 0 CBADLP C[N@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](CCOCCO)CC1 ZINC001113018854 811615558 /nfs/dbraw/zinc/61/55/58/811615558.db2.gz CIFLRBIAKDAIGR-CQSZACIVSA-N 2 2 299.415 -0.376 20 0 CBADLP C[N@H+](CCO)C[C@H]1CCCCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001157747869 815461335 /nfs/dbraw/zinc/46/13/35/815461335.db2.gz JPELIKFZUXRIBL-KGLIPLIRSA-N 2 2 299.415 -0.378 20 0 CBADLP C[N@@H+](CCO)C[C@H]1CCCCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001157747869 815461337 /nfs/dbraw/zinc/46/13/37/815461337.db2.gz JPELIKFZUXRIBL-KGLIPLIRSA-N 2 2 299.415 -0.378 20 0 CBADLP C[NH+](CCO)C[C@H]1CCCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001157747869 815461339 /nfs/dbraw/zinc/46/13/39/815461339.db2.gz JPELIKFZUXRIBL-KGLIPLIRSA-N 2 2 299.415 -0.378 20 0 CBADLP C[NH+](CCO)C[C@H]1CCCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001157747869 815461340 /nfs/dbraw/zinc/46/13/40/815461340.db2.gz JPELIKFZUXRIBL-KGLIPLIRSA-N 2 2 299.415 -0.378 20 0 CBADLP CCC[N@H+](C)CC(=O)N1CC[NH+](C[C@H](O)COC)CC1 ZINC001113572703 811648923 /nfs/dbraw/zinc/64/89/23/811648923.db2.gz HSYCAVRLOURVPS-ZDUSSCGKSA-N 2 2 287.404 -0.520 20 0 CBADLP CCC[N@@H+](C)CC(=O)N1CC[NH+](C[C@H](O)COC)CC1 ZINC001113572703 811648927 /nfs/dbraw/zinc/64/89/27/811648927.db2.gz HSYCAVRLOURVPS-ZDUSSCGKSA-N 2 2 287.404 -0.520 20 0 CBADLP C[N@@H+]1CC[C@@H](C(=O)N2CC[NH+](CCOCCO)CC2)C1 ZINC001113629509 811652002 /nfs/dbraw/zinc/65/20/02/811652002.db2.gz LRXODPFJHSKEIF-CYBMUJFWSA-N 2 2 285.388 -0.909 20 0 CBADLP C[N@H+]1CC[C@@H](C(=O)N2CC[NH+](CCOCCO)CC2)C1 ZINC001113629509 811652007 /nfs/dbraw/zinc/65/20/07/811652007.db2.gz LRXODPFJHSKEIF-CYBMUJFWSA-N 2 2 285.388 -0.909 20 0 CBADLP COC(=O)[C@@H]1C[C@H](C(=O)N2CC[C@@H](C)[C@@H]([NH3+])C2)CC[NH2+]1 ZINC001157798449 815467196 /nfs/dbraw/zinc/46/71/96/815467196.db2.gz BCDNSCDDLOMGFI-WYUUTHIRSA-N 2 2 283.372 -0.277 20 0 CBADLP C[C@H]1[C@H](C[NH3+])CCCN1C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001157841104 815470370 /nfs/dbraw/zinc/47/03/70/815470370.db2.gz DZPSGWFAWCHUMX-GVXVVHGQSA-N 3 2 279.388 -0.124 20 0 CBADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC001114212321 811732441 /nfs/dbraw/zinc/73/24/41/811732441.db2.gz HKTYZSDISJEVBH-YABSGUDNSA-N 2 2 278.356 -0.229 20 0 CBADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC001114212321 811732448 /nfs/dbraw/zinc/73/24/48/811732448.db2.gz HKTYZSDISJEVBH-YABSGUDNSA-N 2 2 278.356 -0.229 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC001114389592 811746752 /nfs/dbraw/zinc/74/67/52/811746752.db2.gz XQKXJTIGTWGCED-IMRBUKKESA-N 2 2 278.356 -0.229 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC001114389592 811746756 /nfs/dbraw/zinc/74/67/56/811746756.db2.gz XQKXJTIGTWGCED-IMRBUKKESA-N 2 2 278.356 -0.229 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC001114389592 811746761 /nfs/dbraw/zinc/74/67/61/811746761.db2.gz XQKXJTIGTWGCED-IMRBUKKESA-N 2 2 278.356 -0.229 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC001114389592 811746765 /nfs/dbraw/zinc/74/67/65/811746765.db2.gz XQKXJTIGTWGCED-IMRBUKKESA-N 2 2 278.356 -0.229 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cc[nH+]c1 ZINC001114652788 811758730 /nfs/dbraw/zinc/75/87/30/811758730.db2.gz SSPFWSHCNFHGHF-MEWQQHAOSA-N 2 2 291.355 -0.807 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cc[nH+]c1 ZINC001114652788 811758735 /nfs/dbraw/zinc/75/87/35/811758735.db2.gz SSPFWSHCNFHGHF-MEWQQHAOSA-N 2 2 291.355 -0.807 20 0 CBADLP O=C(CCn1cc[nH+]c1)N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC001114652113 811758899 /nfs/dbraw/zinc/75/88/99/811758899.db2.gz HJEBTEINSKWJHS-IMRBUKKESA-N 2 2 278.356 -0.298 20 0 CBADLP O=C(CCn1cc[nH+]c1)N[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC001114652113 811758903 /nfs/dbraw/zinc/75/89/03/811758903.db2.gz HJEBTEINSKWJHS-IMRBUKKESA-N 2 2 278.356 -0.298 20 0 CBADLP O=C(N1CCCC(=O)[C@H](F)C1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001157856570 815473208 /nfs/dbraw/zinc/47/32/08/815473208.db2.gz WJLSTEIUWBURAW-BREBYQMCSA-N 2 2 269.320 -0.533 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCCC(=O)[C@H](F)C1 ZINC001157854974 815473328 /nfs/dbraw/zinc/47/33/28/815473328.db2.gz KRGLFGKTQXNJHO-MNOVXSKESA-N 2 2 282.319 -0.181 20 0 CBADLP O=C(N1CCCC(=O)[C@@H](F)C1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001157856572 815473365 /nfs/dbraw/zinc/47/33/65/815473365.db2.gz WJLSTEIUWBURAW-KWBADKCTSA-N 2 2 269.320 -0.533 20 0 CBADLP O=C(N1C[C@H](CO)CC(F)(F)C1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001157901428 815478781 /nfs/dbraw/zinc/47/87/81/815478781.db2.gz ZYOQIBNZAMSADP-BREBYQMCSA-N 2 2 289.326 -0.586 20 0 CBADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)N2CC[C@H](CO)[C@@H](O)C2)cc1 ZINC001157903019 815478961 /nfs/dbraw/zinc/47/89/61/815478961.db2.gz DMDRRWHFZOVNTR-RDBSUJKOSA-N 2 2 293.367 -0.540 20 0 CBADLP C[NH+]1CCN(C(=[NH2+])Nc2ccc(C(N)=O)cn2)CC1 ZINC001157914876 815481540 /nfs/dbraw/zinc/48/15/40/815481540.db2.gz NXAHPGCRFFMTIL-UHFFFAOYSA-N 2 2 262.317 -0.225 20 0 CBADLP CNC(=O)c1ccc(NC(=[NH2+])N2CC[NH+](C)CC2)nn1 ZINC001157916250 815481660 /nfs/dbraw/zinc/48/16/60/815481660.db2.gz QCJXJXJJIZDKLN-UHFFFAOYSA-N 2 2 277.332 -0.570 20 0 CBADLP CC1(C)CN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)[C@@](C)(CO)C1 ZINC001157925605 815483048 /nfs/dbraw/zinc/48/30/48/815483048.db2.gz MTKUCTSOEUCBLP-UUIJZJDISA-N 2 2 281.400 -0.054 20 0 CBADLP COC[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001157922728 815483236 /nfs/dbraw/zinc/48/32/36/815483236.db2.gz WBMMPQONTGOFKP-QNWHQSFQSA-N 2 2 267.373 -0.036 20 0 CBADLP O=C(N1CCC[C@](F)(CO)CC1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001157936203 815488244 /nfs/dbraw/zinc/48/82/44/815488244.db2.gz YQIQQUMUEBVTBQ-MRVWCRGKSA-N 2 2 285.363 -0.349 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CCC[C@](F)(CO)CC1 ZINC001157933914 815486890 /nfs/dbraw/zinc/48/68/90/815486890.db2.gz FWSZHIQXLUFMIO-JBLDHEPKSA-N 2 2 259.325 -0.754 20 0 CBADLP Cc1nc(CCN(C)C(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)no1 ZINC001157983332 815493920 /nfs/dbraw/zinc/49/39/20/815493920.db2.gz NLGYRUOBMMFAHZ-NSHDSACASA-N 2 2 292.343 -0.318 20 0 CBADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)N2CC[C@H](O)[C@@H](CO)C2)cc1 ZINC001157937590 815488498 /nfs/dbraw/zinc/48/84/98/815488498.db2.gz XIWLKQPMHFFLNI-RDBSUJKOSA-N 2 2 293.367 -0.540 20 0 CBADLP C[N@@H+]1CCc2nc(Cl)nc(-n3[nH]c(=O)nc3C[NH3+])c2C1 ZINC001157940253 815489891 /nfs/dbraw/zinc/48/98/91/815489891.db2.gz INGAYOFBBMMTDM-UHFFFAOYSA-N 2 2 295.734 -0.137 20 0 CBADLP C[N@H+]1CCc2nc(Cl)nc(-n3[nH]c(=O)nc3C[NH3+])c2C1 ZINC001157940253 815489894 /nfs/dbraw/zinc/48/98/94/815489894.db2.gz INGAYOFBBMMTDM-UHFFFAOYSA-N 2 2 295.734 -0.137 20 0 CBADLP Cc1nc(CCN(C)C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)no1 ZINC001157983811 815494801 /nfs/dbraw/zinc/49/48/01/815494801.db2.gz ULJJKIBHSAQWIA-BDAKNGLRSA-N 2 2 253.306 -0.932 20 0 CBADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)C[C@@H]1CCC[NH2+]C1 ZINC001157997643 815495441 /nfs/dbraw/zinc/49/54/41/815495441.db2.gz BGNMJOOHLPYERC-NWDGAFQWSA-N 2 2 283.372 -0.260 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)C[C@@H]1CCC[NH2+]C1 ZINC001157997644 815495912 /nfs/dbraw/zinc/49/59/12/815495912.db2.gz BGNMJOOHLPYERC-RYUDHWBXSA-N 2 2 283.372 -0.260 20 0 CBADLP CN(C(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2)[C@H]1CC[C@H](O)CC1 ZINC001157990164 815496177 /nfs/dbraw/zinc/49/61/77/815496177.db2.gz YFFPAPZDRMPZDI-BYNQJWBRSA-N 2 2 267.373 -0.300 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@]12CC[C@H]1C[NH2+]C2 ZINC001157998119 815496890 /nfs/dbraw/zinc/49/68/90/815496890.db2.gz DZEAICRYZKEUAG-MJVIPROJSA-N 2 2 281.356 -0.651 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)C1CC2(C[NH2+]C2)C1 ZINC001157998783 815497167 /nfs/dbraw/zinc/49/71/67/815497167.db2.gz HQNSWQQHPKCNOY-NSHDSACASA-N 2 2 281.356 -0.651 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1C[C@H](C)CC[NH2+]1 ZINC001157999111 815497351 /nfs/dbraw/zinc/49/73/51/815497351.db2.gz OSUVKUZKIXHANG-WOPDTQHZSA-N 2 2 283.372 -0.262 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@H]1[NH2+]C[C@H]2[C@@H]1C2(C)C ZINC001158007825 815498068 /nfs/dbraw/zinc/49/80/68/815498068.db2.gz WJEFBKCBZBWZLD-BJDJZHNGSA-N 2 2 295.383 -0.406 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])CC(F)F ZINC001158007194 815498214 /nfs/dbraw/zinc/49/82/14/815498214.db2.gz RBXFXGGWYMXRAR-YUMQZZPRSA-N 2 2 279.287 -0.668 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1COC(C)(C)C[NH2+]1 ZINC001158007199 815498284 /nfs/dbraw/zinc/49/82/84/815498284.db2.gz REMXILKZILZQFD-QWRGUYRKSA-N 2 2 299.371 -0.883 20 0 CBADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@]1(C)CC[NH2+]C1 ZINC001158005675 815498412 /nfs/dbraw/zinc/49/84/12/815498412.db2.gz BCUKHUGUWRCNIX-ZWNOBZJWSA-N 2 2 269.345 -0.651 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1CC[NH2+]C[C@H]1F ZINC001158006960 815498531 /nfs/dbraw/zinc/49/85/31/815498531.db2.gz OMNZRZOAILRVLP-MXWKQRLJSA-N 2 2 287.335 -0.703 20 0 CBADLP COC(=O)[C@@H]1C[C@H](F)CN1C(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001158015483 815498917 /nfs/dbraw/zinc/49/89/17/815498917.db2.gz SBLUWVHPHDZVSL-SFGNSQDASA-N 2 2 284.291 -0.609 20 0 CBADLP O=C(N1CCC2(C[C@@H]2CCO)CC1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001158112116 815505097 /nfs/dbraw/zinc/50/50/97/815505097.db2.gz VOEZFBSEJQMKPB-WOSRLPQWSA-N 2 2 293.411 -0.051 20 0 CBADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CCC2(C[C@@H]2CCO)CC1 ZINC001158110743 815505203 /nfs/dbraw/zinc/50/52/03/815505203.db2.gz IOOANFRBTZTNNJ-XDQVBPFNSA-N 2 2 293.411 -0.053 20 0 CBADLP C[C@@H](CC(=O)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21)n1cc[nH+]c1 ZINC001114901974 812166256 /nfs/dbraw/zinc/16/62/56/812166256.db2.gz VDRDDYFIIZQXID-CIQGVGRVSA-N 2 2 278.356 -0.127 20 0 CBADLP C[C@@H](CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21)n1cc[nH+]c1 ZINC001114901974 812166264 /nfs/dbraw/zinc/16/62/64/812166264.db2.gz VDRDDYFIIZQXID-CIQGVGRVSA-N 2 2 278.356 -0.127 20 0 CBADLP C[C@H](CC(=O)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21)n1cc[nH+]c1 ZINC001114901976 812167288 /nfs/dbraw/zinc/16/72/88/812167288.db2.gz VDRDDYFIIZQXID-NMKXLXIOSA-N 2 2 278.356 -0.127 20 0 CBADLP C[C@H](CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21)n1cc[nH+]c1 ZINC001114901976 812167290 /nfs/dbraw/zinc/16/72/90/812167290.db2.gz VDRDDYFIIZQXID-NMKXLXIOSA-N 2 2 278.356 -0.127 20 0 CBADLP COc1nc(C)cc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001158204237 815512210 /nfs/dbraw/zinc/51/22/10/815512210.db2.gz OLLYUOZULSQRFN-SECBINFHSA-N 2 2 263.301 -0.159 20 0 CBADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cc2c(cn1)NC(=O)C2 ZINC001158204228 815512358 /nfs/dbraw/zinc/51/23/58/815512358.db2.gz OCIIHMWWLLBFJF-SECBINFHSA-N 2 2 273.296 -0.376 20 0 CBADLP Cc1ccnc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c1C(N)=O ZINC001158203963 815512463 /nfs/dbraw/zinc/51/24/63/815512463.db2.gz KVHHQQGXHWHUJF-SECBINFHSA-N 2 2 275.312 -0.463 20 0 CBADLP COCc1ccnc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001158203698 815512475 /nfs/dbraw/zinc/51/24/75/815512475.db2.gz GKMJYRABCJAWAG-SECBINFHSA-N 2 2 263.301 -0.329 20 0 CBADLP NC(=O)c1cc(Cl)nc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c1 ZINC001158203309 815512807 /nfs/dbraw/zinc/51/28/07/815512807.db2.gz JGJWNQUCSOMBFQ-MRVPVSSYSA-N 2 2 295.730 -0.118 20 0 CBADLP COc1cc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nc(OC)n1 ZINC001158204258 815512829 /nfs/dbraw/zinc/51/28/29/815512829.db2.gz PKBSTIOKKGHVSU-MRVPVSSYSA-N 2 2 279.300 -0.458 20 0 CBADLP CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1 ZINC001115341578 812191890 /nfs/dbraw/zinc/19/18/90/812191890.db2.gz GESKSFFVPXSYSG-YABSGUDNSA-N 2 2 291.355 -0.934 20 0 CBADLP CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1 ZINC001115341578 812191896 /nfs/dbraw/zinc/19/18/96/812191896.db2.gz GESKSFFVPXSYSG-YABSGUDNSA-N 2 2 291.355 -0.934 20 0 CBADLP NC(=O)c1cccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001158206348 815513763 /nfs/dbraw/zinc/51/37/63/815513763.db2.gz KGADPHOUIMGKAG-MRVPVSSYSA-N 2 2 261.285 -0.772 20 0 CBADLP CCOc1nccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001158206633 815513845 /nfs/dbraw/zinc/51/38/45/815513845.db2.gz WPUYVOCORBTEQW-SECBINFHSA-N 2 2 263.301 -0.077 20 0 CBADLP CCOc1cnc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nc1 ZINC001158204669 815513857 /nfs/dbraw/zinc/51/38/57/815513857.db2.gz SZYIJMOLJIKJOP-SECBINFHSA-N 2 2 263.301 -0.077 20 0 CBADLP CCNC(=O)c1cccnc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001158206597 815513915 /nfs/dbraw/zinc/51/39/15/815513915.db2.gz VSKGGFDRPXGRCI-SNVBAGLBSA-N 2 2 289.339 -0.121 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCC2(COC2)C1 ZINC001158167124 815508448 /nfs/dbraw/zinc/50/84/48/815508448.db2.gz GNPRFLWLLYNHHI-NSHDSACASA-N 2 2 264.329 -0.461 20 0 CBADLP O=C(N1CCC2(COC2)C1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001158170061 815509653 /nfs/dbraw/zinc/50/96/53/815509653.db2.gz ZOGISSBMRZOTHL-GXFFZTMASA-N 2 2 251.330 -0.813 20 0 CBADLP O=C(c1n[nH]c2c1C[NH2+]CC2)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158231186 815514808 /nfs/dbraw/zinc/51/48/08/815514808.db2.gz IIWDIHRKEGUXJO-WDEREUQCSA-N 2 2 261.329 -0.368 20 0 CBADLP O=C(N1CC2(C1)CCCO2)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001158235770 815515437 /nfs/dbraw/zinc/51/54/37/815515437.db2.gz QBVIWPWKXGJOFB-GXFFZTMASA-N 2 2 251.330 -0.671 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](Nc2cc(C3C[NH2+]C3)ncn2)C[NH2+]1 ZINC001158259256 815517141 /nfs/dbraw/zinc/51/71/41/815517141.db2.gz HZLZJRXQGVWIRK-KOLCDFICSA-N 2 2 277.328 -0.521 20 0 CBADLP NC(=O)c1cncc(N2CCC([N@@H+]3CC[C@@H]([NH3+])C3)CC2)n1 ZINC001158259676 815517750 /nfs/dbraw/zinc/51/77/50/815517750.db2.gz VBTOABSBDNOUHF-SNVBAGLBSA-N 2 2 290.371 -0.423 20 0 CBADLP NC(=O)c1cncc(N2CCC([N@H+]3CC[C@@H]([NH3+])C3)CC2)n1 ZINC001158259676 815517752 /nfs/dbraw/zinc/51/77/52/815517752.db2.gz VBTOABSBDNOUHF-SNVBAGLBSA-N 2 2 290.371 -0.423 20 0 CBADLP CNC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC001117046894 812356294 /nfs/dbraw/zinc/35/62/94/812356294.db2.gz ILDZMJOAQRGYIY-UHFFFAOYSA-N 2 2 270.377 -0.783 20 0 CBADLP CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC001117046894 812356306 /nfs/dbraw/zinc/35/63/06/812356306.db2.gz ILDZMJOAQRGYIY-UHFFFAOYSA-N 2 2 270.377 -0.783 20 0 CBADLP O=S1(=O)CCC[C@H](C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC001117094456 812365305 /nfs/dbraw/zinc/36/53/05/812365305.db2.gz VKQNXKIXSJTHJH-WOPDTQHZSA-N 2 2 258.387 -0.038 20 0 CBADLP O=C(N1C[C@@H]2C[C@@H]2[C@@H](F)C1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001158326945 815520802 /nfs/dbraw/zinc/52/08/02/815520802.db2.gz BEKOLHWREOTSGW-XGZQDADWSA-N 2 2 253.321 -0.246 20 0 CBADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)N1CC[NH+](C)CC1 ZINC001117669310 812428008 /nfs/dbraw/zinc/42/80/08/812428008.db2.gz DXBWIFUSIPXZMY-LBPRGKRZSA-N 2 2 265.361 -0.365 20 0 CBADLP CC[C@H]1C[N@H+](CC(=O)N2CC[NH2+]CC2)CC[C@H]1[NH3+] ZINC001118264233 812512229 /nfs/dbraw/zinc/51/22/29/812512229.db2.gz ZCCSJNMVHUGWAC-NWDGAFQWSA-N 3 2 254.378 -0.523 20 0 CBADLP CC[C@H]1C[N@@H+](CC(=O)N2CC[NH2+]CC2)CC[C@H]1[NH3+] ZINC001118264233 812512234 /nfs/dbraw/zinc/51/22/34/812512234.db2.gz ZCCSJNMVHUGWAC-NWDGAFQWSA-N 3 2 254.378 -0.523 20 0 CBADLP NC(=O)C[N@@H+]1CCC[C@H](NC(=O)C[C@H]2CCC[NH2+]2)C1 ZINC001118287315 812519892 /nfs/dbraw/zinc/51/98/92/812519892.db2.gz VOXPWGLGPIJAIL-MNOVXSKESA-N 2 2 268.361 -0.806 20 0 CBADLP NC(=O)C[N@H+]1CCC[C@H](NC(=O)C[C@H]2CCC[NH2+]2)C1 ZINC001118287315 812519899 /nfs/dbraw/zinc/51/98/99/812519899.db2.gz VOXPWGLGPIJAIL-MNOVXSKESA-N 2 2 268.361 -0.806 20 0 CBADLP c1c(CC[NH+]2CCOCC2)nnn1[C@H]1CC[NH2+]C1 ZINC001118413348 812545546 /nfs/dbraw/zinc/54/55/46/812545546.db2.gz RQGZHQPLHLHKRU-LBPRGKRZSA-N 2 2 251.334 -0.313 20 0 CBADLP CCOC(=O)[C@]12C[C@H]1CCN2C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001158523503 815536802 /nfs/dbraw/zinc/53/68/02/815536802.db2.gz IHEAPISTDOWBQJ-PUYPPJJSSA-N 2 2 292.339 -0.166 20 0 CBADLP CC(C)[NH2+]CC(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001118569755 812578867 /nfs/dbraw/zinc/57/88/67/812578867.db2.gz MQTSHPDPSFUGNP-SNVBAGLBSA-N 2 2 256.350 -0.950 20 0 CBADLP CC(C)[NH2+]CC(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001118569755 812578871 /nfs/dbraw/zinc/57/88/71/812578871.db2.gz MQTSHPDPSFUGNP-SNVBAGLBSA-N 2 2 256.350 -0.950 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2C[C@H](C3([NH3+])CC3)[C@H](CF)C2)C1 ZINC001158576613 815539100 /nfs/dbraw/zinc/53/91/00/815539100.db2.gz CCPJKOXRIMNRTF-ZNSHCXBVSA-N 3 2 270.352 -0.789 20 0 CBADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N2C[C@H](CF)[C@@H](C3([NH3+])CC3)C2)C1 ZINC001158576608 815539569 /nfs/dbraw/zinc/53/95/69/815539569.db2.gz CCPJKOXRIMNRTF-NAKRPEOUSA-N 3 2 270.352 -0.789 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@@H]2C[C@@H]3CC[NH2+]C[C@H]3O2)CC1 ZINC001158604846 815540324 /nfs/dbraw/zinc/54/03/24/815540324.db2.gz RLKPQLASYZQMQG-MELADBBJSA-N 2 2 297.399 -0.456 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC001118952913 812675129 /nfs/dbraw/zinc/67/51/29/812675129.db2.gz LIIKUFZHTGAERM-GFCCVEGCSA-N 2 2 266.345 -0.465 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC001118952913 812675134 /nfs/dbraw/zinc/67/51/34/812675134.db2.gz LIIKUFZHTGAERM-GFCCVEGCSA-N 2 2 266.345 -0.465 20 0 CBADLP C[N@@H+]1CCO[C@H]2CN(C(=O)C[C@@H]3CCC[NH2+]C3)C[C@H]21 ZINC001158804471 815547893 /nfs/dbraw/zinc/54/78/93/815547893.db2.gz QFVZYSZMVMLATB-XQQFMLRXSA-N 2 2 267.373 -0.083 20 0 CBADLP C[N@H+]1CCO[C@H]2CN(C(=O)C[C@@H]3CCC[NH2+]C3)C[C@H]21 ZINC001158804471 815547898 /nfs/dbraw/zinc/54/78/98/815547898.db2.gz QFVZYSZMVMLATB-XQQFMLRXSA-N 2 2 267.373 -0.083 20 0 CBADLP C[C@H]1C[C@H]2CN(C(=O)[C@@]34C[NH2+]C[C@H]3CC[NH2+]4)CC[C@H]2O1 ZINC001158855181 815549086 /nfs/dbraw/zinc/54/90/86/815549086.db2.gz FNBFBWHRPCYPCU-RLPMIEJPSA-N 2 2 279.384 -0.036 20 0 CBADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)C1(C)C[NH2+]C1 ZINC001119244426 812731286 /nfs/dbraw/zinc/73/12/86/812731286.db2.gz GUGZTELEMRLILZ-NSHDSACASA-N 2 2 255.362 -0.177 20 0 CBADLP CC[C@H]1COCC[N@H+]1CCNC(=O)C1(C)C[NH2+]C1 ZINC001119244426 812731291 /nfs/dbraw/zinc/73/12/91/812731291.db2.gz GUGZTELEMRLILZ-NSHDSACASA-N 2 2 255.362 -0.177 20 0 CBADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCNC(=O)CC1 ZINC001119247048 812732230 /nfs/dbraw/zinc/73/22/30/812732230.db2.gz PIIZDCGKZCAJOX-NEPJUHHUSA-N 2 2 282.388 -0.416 20 0 CBADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCNC(=O)CC1 ZINC001119247048 812732240 /nfs/dbraw/zinc/73/22/40/812732240.db2.gz PIIZDCGKZCAJOX-NEPJUHHUSA-N 2 2 282.388 -0.416 20 0 CBADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC001119252769 812733451 /nfs/dbraw/zinc/73/34/51/812733451.db2.gz OQXCIZWZOLIWBW-CYBMUJFWSA-N 2 2 277.328 -0.363 20 0 CBADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC001119252769 812733457 /nfs/dbraw/zinc/73/34/57/812733457.db2.gz OQXCIZWZOLIWBW-CYBMUJFWSA-N 2 2 277.328 -0.363 20 0 CBADLP Cn1ncnc1C[NH2+]CCCCN1CC[NH+](C)CC1 ZINC001119285155 812741900 /nfs/dbraw/zinc/74/19/00/812741900.db2.gz STTLYPHMNTVKSS-UHFFFAOYSA-N 2 2 266.393 -0.068 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)/C=C\[C@H]1CCC[NH2+]C1 ZINC001119295318 812744725 /nfs/dbraw/zinc/74/47/25/812744725.db2.gz HGTCFSDYFZBJTM-QLQVPFRHSA-N 2 2 295.383 -0.094 20 0 CBADLP [NH3+]CC1CC[NH+](Cc2nnc3c(=O)[nH]ccn23)CC1 ZINC001119345374 812761559 /nfs/dbraw/zinc/76/15/59/812761559.db2.gz PGMAZQLJLSXOAI-UHFFFAOYSA-N 2 2 262.317 -0.412 20 0 CBADLP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)NCCn1cc[nH+]c1)C2 ZINC001119347853 812762758 /nfs/dbraw/zinc/76/27/58/812762758.db2.gz MQGKXGAVOZJVFH-SMDDNHRTSA-N 2 2 291.355 -0.933 20 0 CBADLP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC001119417358 812778389 /nfs/dbraw/zinc/77/83/89/812778389.db2.gz OXDHNYABFAYRCC-MXWKQRLJSA-N 2 2 291.355 -0.738 20 0 CBADLP COC[C@H]1CN(C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])Cc2cn(C)nc21 ZINC001159019390 815554884 /nfs/dbraw/zinc/55/48/84/815554884.db2.gz PMFUPRQWQRSUIT-WOPDTQHZSA-N 2 2 293.371 -0.961 20 0 CBADLP COC[C@@H]1CN(C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])Cc2cn(C)nc21 ZINC001159019386 815555495 /nfs/dbraw/zinc/55/54/95/815555495.db2.gz PMFUPRQWQRSUIT-SRVKXCTJSA-N 2 2 293.371 -0.961 20 0 CBADLP COCc1n[nH]c2c1CN(C(=O)[C@@]13CC[C@@H]([NH2+]1)[C@H]([NH3+])C3)C2 ZINC001159091333 815558790 /nfs/dbraw/zinc/55/87/90/815558790.db2.gz PTTWWNPERUYXGZ-RULNRJAQSA-N 2 2 291.355 -0.380 20 0 CBADLP C[NH+]1CCN(c2nccc(NC[C@@H]3COCC[NH2+]3)n2)CC1 ZINC001159046536 815557937 /nfs/dbraw/zinc/55/79/37/815557937.db2.gz LPKHQMCXUDHMMY-GFCCVEGCSA-N 2 2 292.387 -0.371 20 0 CBADLP Cn1nccc1[C@@H](O)C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC001120277601 812946313 /nfs/dbraw/zinc/94/63/13/812946313.db2.gz KNXNSMJSFAVLTJ-AAEUAGOBSA-N 2 2 268.361 -0.502 20 0 CBADLP Cn1nccc1[C@@H](O)C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC001120277601 812946317 /nfs/dbraw/zinc/94/63/17/812946317.db2.gz KNXNSMJSFAVLTJ-AAEUAGOBSA-N 2 2 268.361 -0.502 20 0 CBADLP Cc1cc(C)c(CNC(=O)C(=O)NCC2([NH3+])CC2)c[nH+]1 ZINC001120418425 812961839 /nfs/dbraw/zinc/96/18/39/812961839.db2.gz KTECTCRKAGSKQI-UHFFFAOYSA-N 2 2 276.340 -0.078 20 0 CBADLP CN1CC[C@H]([NH2+]CCCNC(=O)CCc2c[nH]c[nH+]2)C1=O ZINC001159540705 815580786 /nfs/dbraw/zinc/58/07/86/815580786.db2.gz WSEMBNFDPTUBQY-LBPRGKRZSA-N 2 2 293.371 -0.331 20 0 CBADLP CN1CC[C@H]([NH2+]CCCNC(=O)CCc2c[nH+]c[nH]2)C1=O ZINC001159540705 815580789 /nfs/dbraw/zinc/58/07/89/815580789.db2.gz WSEMBNFDPTUBQY-LBPRGKRZSA-N 2 2 293.371 -0.331 20 0 CBADLP C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC001121990844 813101564 /nfs/dbraw/zinc/10/15/64/813101564.db2.gz IZPVDALFUVZZRY-DCAQKATOSA-N 2 2 254.334 -0.396 20 0 CBADLP C[NH2+]C1CC(C(=O)N2CC[NH+](CCOCCOC)CC2)C1 ZINC001122048317 813108878 /nfs/dbraw/zinc/10/88/78/813108878.db2.gz XPMKDULELSUFQW-UHFFFAOYSA-N 2 2 299.415 -0.208 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)[C@]23CC[C@H]2C[NH2+]C3)CC1 ZINC001122157521 813125569 /nfs/dbraw/zinc/12/55/69/813125569.db2.gz NTXWMPKNZAKKCL-FZMZJTMJSA-N 3 2 266.389 -0.475 20 0 CBADLP CC1(C)C[NH2+][C@@H]1C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001122156802 813125820 /nfs/dbraw/zinc/12/58/20/813125820.db2.gz CIZFADDDHOFTPQ-LLVKDONJSA-N 3 2 254.378 -0.476 20 0 CBADLP C[C@H]1C[NH2+][C@@H](C)[C@H](C)N1C(=O)CN1CC[NH2+]CC1=O ZINC001122182485 813128962 /nfs/dbraw/zinc/12/89/62/813128962.db2.gz VRYXVHOYMQSLAL-DCAQKATOSA-N 2 2 268.361 -0.985 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)NCCC[NH2+]CC(=O)N1CCC1 ZINC001159527888 815579202 /nfs/dbraw/zinc/57/92/02/815579202.db2.gz RNVOVUBQVMZZLU-UHFFFAOYSA-N 2 2 293.371 -0.330 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)NCCC[NH2+]CC(=O)N1CCC1 ZINC001159527888 815579207 /nfs/dbraw/zinc/57/92/07/815579207.db2.gz RNVOVUBQVMZZLU-UHFFFAOYSA-N 2 2 293.371 -0.330 20 0 CBADLP CC(C)NC(=O)C[NH2+]CCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001159537158 815579662 /nfs/dbraw/zinc/57/96/62/815579662.db2.gz MNZMCNZDQAADNV-UHFFFAOYSA-N 2 2 295.387 -0.037 20 0 CBADLP CC(C)NC(=O)C[NH2+]CCCNC(=O)CCc1c[nH+]c[nH]1 ZINC001159537158 815579665 /nfs/dbraw/zinc/57/96/65/815579665.db2.gz MNZMCNZDQAADNV-UHFFFAOYSA-N 2 2 295.387 -0.037 20 0 CBADLP CC[C@@H]([NH2+]CCCNC(=O)CCc1c[nH]c[nH+]1)C(N)=O ZINC001159537198 815579836 /nfs/dbraw/zinc/57/98/36/815579836.db2.gz OKICYSFBHXZUNH-LLVKDONJSA-N 2 2 281.360 -0.298 20 0 CBADLP CC[C@@H]([NH2+]CCCNC(=O)CCc1c[nH+]c[nH]1)C(N)=O ZINC001159537198 815579840 /nfs/dbraw/zinc/57/98/40/815579840.db2.gz OKICYSFBHXZUNH-LLVKDONJSA-N 2 2 281.360 -0.298 20 0 CBADLP Cc1nonc1C[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001124837885 813486536 /nfs/dbraw/zinc/48/65/36/813486536.db2.gz QTEOLHPXMWPZRC-LLVKDONJSA-N 2 2 267.333 -0.322 20 0 CBADLP Cc1nonc1C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001124837885 813486542 /nfs/dbraw/zinc/48/65/42/813486542.db2.gz QTEOLHPXMWPZRC-LLVKDONJSA-N 2 2 267.333 -0.322 20 0 CBADLP Cc1noc(C)c1C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125214615 813532042 /nfs/dbraw/zinc/53/20/42/813532042.db2.gz VEWFGOAFYUYLOA-ZDUSSCGKSA-N 2 2 296.371 -0.172 20 0 CBADLP Cc1noc(C)c1C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125214615 813532046 /nfs/dbraw/zinc/53/20/46/813532046.db2.gz VEWFGOAFYUYLOA-ZDUSSCGKSA-N 2 2 296.371 -0.172 20 0 CBADLP Cc1ncc(C[NH2+]CCNC(=O)[C@@H]2C[N@H+](C)CCO2)o1 ZINC001125223140 813535586 /nfs/dbraw/zinc/53/55/86/813535586.db2.gz YFPXULMFBCNINC-LBPRGKRZSA-N 2 2 282.344 -0.481 20 0 CBADLP Cc1ncc(C[NH2+]CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)o1 ZINC001125223140 813535590 /nfs/dbraw/zinc/53/55/90/813535590.db2.gz YFPXULMFBCNINC-LBPRGKRZSA-N 2 2 282.344 -0.481 20 0 CBADLP CC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001126437001 813647546 /nfs/dbraw/zinc/64/75/46/813647546.db2.gz QVPFTPXIJGRTTG-LLVKDONJSA-N 2 2 295.387 -0.037 20 0 CBADLP C[C@H]([NH2+]CCNC(=O)CCc1[nH]cc[nH+]1)C(=O)N(C)C ZINC001126447940 813649663 /nfs/dbraw/zinc/64/96/63/813649663.db2.gz MINHJSZCSFWKSX-JTQLQIEISA-N 2 2 281.360 -0.475 20 0 CBADLP C[C@H]([NH2+]CCNC(=O)CCc1[nH]cc[nH+]1)C(=O)NC1CC1 ZINC001126448869 813649995 /nfs/dbraw/zinc/64/99/95/813649995.db2.gz ZVZOTAWDTZNZAH-JTQLQIEISA-N 2 2 293.371 -0.285 20 0 CBADLP COCCOCC[NH2+]CCNC(=O)CCc1c[nH+]c[nH]1 ZINC001128967518 813810898 /nfs/dbraw/zinc/81/08/98/813810898.db2.gz UOYUEBACALANDD-UHFFFAOYSA-N 2 2 284.360 -0.289 20 0 CBADLP COCCOCC[NH2+]CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001128967518 813810888 /nfs/dbraw/zinc/81/08/88/813810888.db2.gz UOYUEBACALANDD-UHFFFAOYSA-N 2 2 284.360 -0.289 20 0 CBADLP CC[C@@H]([NH2+]CCNC(=O)CCc1c[nH]c[nH+]1)C(N)=O ZINC001128967460 813811599 /nfs/dbraw/zinc/81/15/99/813811599.db2.gz QZTYQYMHNUHBSK-SNVBAGLBSA-N 2 2 267.333 -0.688 20 0 CBADLP CC[C@@H]([NH2+]CCNC(=O)CCc1c[nH+]c[nH]1)C(N)=O ZINC001128967460 813811607 /nfs/dbraw/zinc/81/16/07/813811607.db2.gz QZTYQYMHNUHBSK-SNVBAGLBSA-N 2 2 267.333 -0.688 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)NCC[NH2+]CCn1cccn1 ZINC001128967718 813811668 /nfs/dbraw/zinc/81/16/68/813811668.db2.gz YUNPQPDQWQMIHU-UHFFFAOYSA-N 2 2 276.344 -0.055 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)NCC[NH2+]CCn1cccn1 ZINC001128967718 813811678 /nfs/dbraw/zinc/81/16/78/813811678.db2.gz YUNPQPDQWQMIHU-UHFFFAOYSA-N 2 2 276.344 -0.055 20 0 CBADLP C[C@@H]([NH2+]CCNC(=O)CCc1c[nH]c[nH+]1)C(=O)N(C)C ZINC001128967098 813811872 /nfs/dbraw/zinc/81/18/72/813811872.db2.gz AZRCOYIYTJOJQR-SNVBAGLBSA-N 2 2 281.360 -0.475 20 0 CBADLP C[C@@H]([NH2+]CCNC(=O)CCc1c[nH+]c[nH]1)C(=O)N(C)C ZINC001128967098 813811882 /nfs/dbraw/zinc/81/18/82/813811882.db2.gz AZRCOYIYTJOJQR-SNVBAGLBSA-N 2 2 281.360 -0.475 20 0 CBADLP C[C@H]([NH2+]CCNC(=O)CCc1c[nH]c[nH+]1)C(=O)NC1CC1 ZINC001128992266 813812603 /nfs/dbraw/zinc/81/26/03/813812603.db2.gz XWXJZXBAOMVQMX-JTQLQIEISA-N 2 2 293.371 -0.285 20 0 CBADLP C[C@H]([NH2+]CCNC(=O)CCc1c[nH+]c[nH]1)C(=O)NC1CC1 ZINC001128992266 813812616 /nfs/dbraw/zinc/81/26/16/813812616.db2.gz XWXJZXBAOMVQMX-JTQLQIEISA-N 2 2 293.371 -0.285 20 0 CBADLP CCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001128992315 813814156 /nfs/dbraw/zinc/81/41/56/813814156.db2.gz ZTEBZXBGJJABOQ-LLVKDONJSA-N 2 2 295.387 -0.037 20 0 CBADLP CCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CCc1c[nH+]c[nH]1 ZINC001128992315 813814172 /nfs/dbraw/zinc/81/41/72/813814172.db2.gz ZTEBZXBGJJABOQ-LLVKDONJSA-N 2 2 295.387 -0.037 20 0 CBADLP C[NH+](C)C1(C(=O)NCC[NH2+]Cc2cnon2)CCC1 ZINC001129356227 813837030 /nfs/dbraw/zinc/83/70/30/813837030.db2.gz DSLQFZQJQKENMQ-UHFFFAOYSA-N 2 2 267.333 -0.240 20 0 CBADLP Cc1nnc(C[NH2+]CCNC(=O)[C@H](C2CC2)[NH+](C)C)[nH]1 ZINC001129444014 813845438 /nfs/dbraw/zinc/84/54/38/813845438.db2.gz OJKACMUVUSOVGQ-LBPRGKRZSA-N 2 2 280.376 -0.341 20 0 CBADLP C[N@H+](CC(=O)NCC[NH2+]Cc1cnon1)C1CCC1 ZINC001129531667 813850029 /nfs/dbraw/zinc/85/00/29/813850029.db2.gz FCMYGZVOLSWUNH-UHFFFAOYSA-N 2 2 267.333 -0.240 20 0 CBADLP C[N@@H+](CC(=O)NCC[NH2+]Cc1cnon1)C1CCC1 ZINC001129531667 813850035 /nfs/dbraw/zinc/85/00/35/813850035.db2.gz FCMYGZVOLSWUNH-UHFFFAOYSA-N 2 2 267.333 -0.240 20 0 CBADLP O=C(NCC[NH2+][C@@H]1CCNC1=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001129891629 813876084 /nfs/dbraw/zinc/87/60/84/813876084.db2.gz PROMWHDIXUUYBZ-OPRDCNLKSA-N 2 2 277.328 -0.893 20 0 CBADLP O=C(NCC[NH2+]CCOCCO)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001129891738 813877216 /nfs/dbraw/zinc/87/72/16/813877216.db2.gz SSCHNVPYLPAJQW-GHMZBOCLSA-N 2 2 282.344 -0.772 20 0 CBADLP O=C(NCC[NH2+]CCOCCO)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001129891738 813877224 /nfs/dbraw/zinc/87/72/24/813877224.db2.gz SSCHNVPYLPAJQW-GHMZBOCLSA-N 2 2 282.344 -0.772 20 0 CBADLP Cc1conc1C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001130182429 813914434 /nfs/dbraw/zinc/91/44/34/813914434.db2.gz HGORJWDWHQIPTO-DGCLKSJQSA-N 2 2 296.371 -0.092 20 0 CBADLP Cc1conc1C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001130182429 813914440 /nfs/dbraw/zinc/91/44/40/813914440.db2.gz HGORJWDWHQIPTO-DGCLKSJQSA-N 2 2 296.371 -0.092 20 0 CBADLP CC[C@H]([NH2+]CCNC(=O)C(C)(C)n1c[nH+]c(C)c1)C(N)=O ZINC001130164628 813914567 /nfs/dbraw/zinc/91/45/67/813914567.db2.gz DOUYOFFOIQTCHK-NSHDSACASA-N 2 2 295.387 -0.104 20 0 CBADLP COC[C@@H](O)C[NH2+]CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001130266062 813923307 /nfs/dbraw/zinc/92/33/07/813923307.db2.gz KGMPCQLVNWTILW-NSHDSACASA-N 2 2 292.339 -0.110 20 0 CBADLP C[C@@H](O)C[NH2+]CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001130404843 813935976 /nfs/dbraw/zinc/93/59/76/813935976.db2.gz QGTUYFRHOVAHOU-MNOVXSKESA-N 2 2 266.345 -0.468 20 0 CBADLP CC[C@H]([NH2+]CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1)C(N)=O ZINC001130404982 813936472 /nfs/dbraw/zinc/93/64/72/813936472.db2.gz UJHNFRJJBUPUGA-PWSUYJOCSA-N 2 2 293.371 -0.585 20 0 CBADLP COCC[NH2+]CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001130403703 813937065 /nfs/dbraw/zinc/93/70/65/813937065.db2.gz AXIRTVQCRVOTOB-LLVKDONJSA-N 2 2 266.345 -0.202 20 0 CBADLP COCC[NH2+]CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001130403704 813937300 /nfs/dbraw/zinc/93/73/00/813937300.db2.gz AXIRTVQCRVOTOB-NSHDSACASA-N 2 2 266.345 -0.202 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001130478259 813943119 /nfs/dbraw/zinc/94/31/19/813943119.db2.gz WUHIETMZDRJDLW-QWRGUYRKSA-N 2 2 293.371 -0.714 20 0 CBADLP O=C(NCC[NH2+]CCOCCO)[C@H]1CCn2cc[nH+]c2C1 ZINC001130481509 813943197 /nfs/dbraw/zinc/94/31/97/813943197.db2.gz VJPZLJHPDPWAAF-LBPRGKRZSA-N 2 2 296.371 -0.840 20 0 CBADLP CC[C@H]([NH2+]CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1)C(N)=O ZINC001130481471 813943324 /nfs/dbraw/zinc/94/33/24/813943324.db2.gz UJGAEJRASHIBGP-MNOVXSKESA-N 2 2 293.371 -0.585 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001130484345 813944004 /nfs/dbraw/zinc/94/40/04/813944004.db2.gz LDNSBUCCDGVOFA-QWRGUYRKSA-N 2 2 293.371 -0.714 20 0 CBADLP COC[C@H](O)C[NH2+]CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001130488154 813945382 /nfs/dbraw/zinc/94/53/82/813945382.db2.gz NFZXETVWJADUGK-WCQYABFASA-N 2 2 296.371 -0.841 20 0 CBADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)NCC[NH2+]CCO)C2 ZINC001130491354 813945903 /nfs/dbraw/zinc/94/59/03/813945903.db2.gz QXXICPAOVZAXOT-JTQLQIEISA-N 2 2 266.345 -0.479 20 0 CBADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)NCC[NH2+]CCO)CC2 ZINC001130491354 813945906 /nfs/dbraw/zinc/94/59/06/813945906.db2.gz QXXICPAOVZAXOT-JTQLQIEISA-N 2 2 266.345 -0.479 20 0 CBADLP CC[C@H]([NH2+]CCNC(=O)[C@H]1CCc2c[nH+]cn2C1)C(N)=O ZINC001130488332 813946411 /nfs/dbraw/zinc/94/64/11/813946411.db2.gz PGXLNPPOPCOMMR-JQWIXIFHSA-N 2 2 293.371 -0.585 20 0 CBADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)NCC[NH2+]CCCO)C2 ZINC001130490964 813946558 /nfs/dbraw/zinc/94/65/58/813946558.db2.gz KHYNEZHKRDQRGX-NSHDSACASA-N 2 2 280.372 -0.089 20 0 CBADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)NCC[NH2+]CCCO)CC2 ZINC001130490964 813946563 /nfs/dbraw/zinc/94/65/63/813946563.db2.gz KHYNEZHKRDQRGX-NSHDSACASA-N 2 2 280.372 -0.089 20 0 CBADLP CC[C@@H]([NH2+]CCNC(=O)c1cccc2[nH+]ccn21)C(N)=O ZINC001131273911 814015102 /nfs/dbraw/zinc/01/51/02/814015102.db2.gz XAAFCUJHRRRCHW-SNVBAGLBSA-N 2 2 289.339 -0.082 20 0 CBADLP CC[C@H]([NH2+]CCNC(=O)c1cccc2[nH+]ccn21)C(N)=O ZINC001131273909 814015208 /nfs/dbraw/zinc/01/52/08/814015208.db2.gz XAAFCUJHRRRCHW-JTQLQIEISA-N 2 2 289.339 -0.082 20 0 CBADLP O=C(NCC[NH2+][C@@H]1CCNC1=O)c1cccc2[nH+]ccn21 ZINC001131270523 814015644 /nfs/dbraw/zinc/01/56/44/814015644.db2.gz MIPPINMCTYELDX-SNVBAGLBSA-N 2 2 287.323 -0.458 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NCC[NH2+][C@H](C)c1nnnn1C ZINC001131380607 814025993 /nfs/dbraw/zinc/02/59/93/814025993.db2.gz SLTOFURQNXWZEV-SNVBAGLBSA-N 2 2 292.347 -0.818 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NCC[NH2+]Cc1cnon1 ZINC001131380157 814027568 /nfs/dbraw/zinc/02/75/68/814027568.db2.gz DSTNVJOIFKJNMM-UHFFFAOYSA-N 2 2 264.289 -0.519 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NCC[NH2+][C@@H](C)c1nnnn1C ZINC001131380606 814028059 /nfs/dbraw/zinc/02/80/59/814028059.db2.gz SLTOFURQNXWZEV-JTQLQIEISA-N 2 2 292.347 -0.818 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)NCC[NH2+]Cc1cncn1C ZINC001131639184 814048890 /nfs/dbraw/zinc/04/88/90/814048890.db2.gz AYFBMFIHEZCIGE-UHFFFAOYSA-N 2 2 290.371 -0.008 20 0 CBADLP COCC[NH2+]CCNC(=O)CCc1[nH+]ccn1C ZINC001131652479 814051442 /nfs/dbraw/zinc/05/14/42/814051442.db2.gz HPIPCBVVNJJRAR-UHFFFAOYSA-N 2 2 254.334 -0.295 20 0 CBADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NCC[NH2+]C[C@@H](C)O ZINC001131822518 814070845 /nfs/dbraw/zinc/07/08/45/814070845.db2.gz QOYOMLIQOQNENQ-OLZOCXBDSA-N 2 2 287.404 -0.426 20 0 CBADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NCC[NH2+]C[C@@H](C)O ZINC001131822518 814070854 /nfs/dbraw/zinc/07/08/54/814070854.db2.gz QOYOMLIQOQNENQ-OLZOCXBDSA-N 2 2 287.404 -0.426 20 0 CBADLP O=C(CCn1cc[nH+]c1)NCC[NH2+]CC(=O)N1CCC1 ZINC001132079993 814100064 /nfs/dbraw/zinc/10/00/64/814100064.db2.gz WJCMDVJZVDCVKC-UHFFFAOYSA-N 2 2 279.344 -0.789 20 0 CBADLP CCN1CC[C@H]([NH2+]CCNC(=O)CCn2cc[nH+]c2)C1=O ZINC001132082981 814102260 /nfs/dbraw/zinc/10/22/60/814102260.db2.gz ZLPDJCUVRPUAGG-LBPRGKRZSA-N 2 2 293.371 -0.400 20 0 CBADLP C[C@@H]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C[N@@H+]1CC(N)=O ZINC001132107159 814102812 /nfs/dbraw/zinc/10/28/12/814102812.db2.gz YCWPJGKCZKUWRO-VXGBXAGGSA-N 2 2 296.415 -0.075 20 0 CBADLP C[C@@H]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C[N@H+]1CC(N)=O ZINC001132107159 814102815 /nfs/dbraw/zinc/10/28/15/814102815.db2.gz YCWPJGKCZKUWRO-VXGBXAGGSA-N 2 2 296.415 -0.075 20 0 CBADLP C[C@@H]1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C[NH+]1CC(N)=O ZINC001132107159 814102820 /nfs/dbraw/zinc/10/28/20/814102820.db2.gz YCWPJGKCZKUWRO-VXGBXAGGSA-N 2 2 296.415 -0.075 20 0 CBADLP C[C@@H]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C[NH+]1CC(N)=O ZINC001132107159 814102825 /nfs/dbraw/zinc/10/28/25/814102825.db2.gz YCWPJGKCZKUWRO-VXGBXAGGSA-N 2 2 296.415 -0.075 20 0 CBADLP C[C@@H]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C[N@@H+]1CC(N)=O ZINC001132265668 814118494 /nfs/dbraw/zinc/11/84/94/814118494.db2.gz QVFPTMMXVALHNQ-NEPJUHHUSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@@H]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C[N@H+]1CC(N)=O ZINC001132265668 814118497 /nfs/dbraw/zinc/11/84/97/814118497.db2.gz QVFPTMMXVALHNQ-NEPJUHHUSA-N 2 2 296.415 -0.217 20 0 CBADLP CC[NH+](CC)CC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC(N)=O)C1 ZINC001132375517 814140695 /nfs/dbraw/zinc/14/06/95/814140695.db2.gz DRQOXDLARQMSMK-NWDGAFQWSA-N 2 2 284.404 -0.217 20 0 CBADLP CC[NH+](CC)CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC(N)=O)C1 ZINC001132375517 814140703 /nfs/dbraw/zinc/14/07/03/814140703.db2.gz DRQOXDLARQMSMK-NWDGAFQWSA-N 2 2 284.404 -0.217 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[C@H](C)[NH+](CC(N)=O)C1 ZINC001132522891 814156999 /nfs/dbraw/zinc/15/69/99/814156999.db2.gz UYOJDISRQWUSIR-NWDGAFQWSA-N 2 2 284.404 -0.219 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[C@H](C)[NH+](CC(N)=O)C1 ZINC001132522891 814157002 /nfs/dbraw/zinc/15/70/02/814157002.db2.gz UYOJDISRQWUSIR-NWDGAFQWSA-N 2 2 284.404 -0.219 20 0 CBADLP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC(N)=O)C1 ZINC001132522891 814157005 /nfs/dbraw/zinc/15/70/05/814157005.db2.gz UYOJDISRQWUSIR-NWDGAFQWSA-N 2 2 284.404 -0.219 20 0 CBADLP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC(N)=O)C1 ZINC001132522891 814157007 /nfs/dbraw/zinc/15/70/07/814157007.db2.gz UYOJDISRQWUSIR-NWDGAFQWSA-N 2 2 284.404 -0.219 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[C@@H](C)[NH+](CC(N)=O)C1 ZINC001132522893 814157027 /nfs/dbraw/zinc/15/70/27/814157027.db2.gz UYOJDISRQWUSIR-VXGBXAGGSA-N 2 2 284.404 -0.219 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[C@@H](C)[NH+](CC(N)=O)C1 ZINC001132522893 814157029 /nfs/dbraw/zinc/15/70/29/814157029.db2.gz UYOJDISRQWUSIR-VXGBXAGGSA-N 2 2 284.404 -0.219 20 0 CBADLP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC(N)=O)C1 ZINC001132522893 814157034 /nfs/dbraw/zinc/15/70/34/814157034.db2.gz UYOJDISRQWUSIR-VXGBXAGGSA-N 2 2 284.404 -0.219 20 0 CBADLP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC(N)=O)C1 ZINC001132522893 814157036 /nfs/dbraw/zinc/15/70/36/814157036.db2.gz UYOJDISRQWUSIR-VXGBXAGGSA-N 2 2 284.404 -0.219 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[C@H](C)[NH+](CC(N)=O)C1 ZINC001132522892 814157437 /nfs/dbraw/zinc/15/74/37/814157437.db2.gz UYOJDISRQWUSIR-RYUDHWBXSA-N 2 2 284.404 -0.219 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[C@H](C)[NH+](CC(N)=O)C1 ZINC001132522892 814157443 /nfs/dbraw/zinc/15/74/43/814157443.db2.gz UYOJDISRQWUSIR-RYUDHWBXSA-N 2 2 284.404 -0.219 20 0 CBADLP CC(C)[NH+](C)CC(=O)N[C@H]1CC[C@H](C)[N@H+](CC(N)=O)C1 ZINC001132522892 814157448 /nfs/dbraw/zinc/15/74/48/814157448.db2.gz UYOJDISRQWUSIR-RYUDHWBXSA-N 2 2 284.404 -0.219 20 0 CBADLP CC(C)[NH+](C)CC(=O)N[C@H]1CC[C@H](C)[N@@H+](CC(N)=O)C1 ZINC001132522892 814157451 /nfs/dbraw/zinc/15/74/51/814157451.db2.gz UYOJDISRQWUSIR-RYUDHWBXSA-N 2 2 284.404 -0.219 20 0 CBADLP CCCC[NH2+]CCNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(C)=O ZINC001133255707 814233882 /nfs/dbraw/zinc/23/38/82/814233882.db2.gz UPGDRRXGCNKZPK-ZDUSSCGKSA-N 2 2 295.387 -0.037 20 0 CBADLP CCCC[NH2+]CCNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(C)=O ZINC001133255707 814233889 /nfs/dbraw/zinc/23/38/89/814233889.db2.gz UPGDRRXGCNKZPK-ZDUSSCGKSA-N 2 2 295.387 -0.037 20 0 CBADLP NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001133663906 814283881 /nfs/dbraw/zinc/28/38/81/814283881.db2.gz JKDPHOYFKOKUKB-MRVPVSSYSA-N 2 2 265.317 -0.979 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]Cc1cnon1 ZINC001133863551 814310180 /nfs/dbraw/zinc/31/01/80/814310180.db2.gz NXVGMWOTPHFIMJ-MWLCHTKSSA-N 2 2 267.333 -0.527 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]Cc1cnon1 ZINC001133863551 814310188 /nfs/dbraw/zinc/31/01/88/814310188.db2.gz NXVGMWOTPHFIMJ-MWLCHTKSSA-N 2 2 267.333 -0.527 20 0 CBADLP CN1CCC[C@H]([NH2+]CCNC(=O)Cc2c[nH]c[nH+]2)C1=O ZINC001134392917 814378448 /nfs/dbraw/zinc/37/84/48/814378448.db2.gz BJUJWSVQQZGTTQ-NSHDSACASA-N 2 2 279.344 -0.721 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NCC[NH2+]CCOCC(F)F ZINC001134393088 814380452 /nfs/dbraw/zinc/38/04/52/814380452.db2.gz JJLXLZWGNZKPLY-UHFFFAOYSA-N 2 2 276.287 -0.060 20 0 CBADLP O=C(C[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1)NCC1CC1 ZINC001134406997 814382444 /nfs/dbraw/zinc/38/24/44/814382444.db2.gz LTYFPFOWLBFONX-UHFFFAOYSA-N 2 2 279.344 -0.816 20 0 CBADLP C[C@H](O)C[NH2+]CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001134498435 814388087 /nfs/dbraw/zinc/38/80/87/814388087.db2.gz GLBHQJYPNPXUAH-QWRGUYRKSA-N 2 2 254.334 -0.079 20 0 CBADLP C[C@@H](CC(=O)NCC[NH2+][C@@H]1CCNC1=O)n1cc[nH+]c1 ZINC001134498604 814388574 /nfs/dbraw/zinc/38/85/74/814388574.db2.gz LGYZEEDSZQFIDC-WDEREUQCSA-N 2 2 279.344 -0.572 20 0 CBADLP CCNC(=O)C[NH2+]CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001134498515 814389399 /nfs/dbraw/zinc/38/93/99/814389399.db2.gz IMHWABMMXHRRSG-LLVKDONJSA-N 2 2 281.360 -0.324 20 0 CBADLP C[C@H](CC(=O)NCC[NH2+]CCCO)n1cc[nH+]c1 ZINC001134517269 814393015 /nfs/dbraw/zinc/39/30/15/814393015.db2.gz BDZDRMOKLFBOJE-LLVKDONJSA-N 2 2 254.334 -0.078 20 0 CBADLP C[C@H](C[C@@H](C)[NH2+]CC(N)=O)NC(=O)CCc1[nH+]ccn1C ZINC001135057378 814433330 /nfs/dbraw/zinc/43/33/30/814433330.db2.gz UGXLWLKCBYMRRW-GHMZBOCLSA-N 2 2 295.387 -0.289 20 0 CBADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+]CC(=O)N(C)C ZINC001135080105 814434608 /nfs/dbraw/zinc/43/46/08/814434608.db2.gz KYJUOMWWEPAFAD-JTQLQIEISA-N 2 2 281.360 -0.618 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+]C[C@H](C)O ZINC001135080092 814436356 /nfs/dbraw/zinc/43/63/56/814436356.db2.gz KUJIWFOXOBPIDZ-ZJUUUORDSA-N 2 2 254.334 -0.325 20 0 CBADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[NH2+]C[C@H](C)O ZINC001135080092 814436360 /nfs/dbraw/zinc/43/63/60/814436360.db2.gz KUJIWFOXOBPIDZ-ZJUUUORDSA-N 2 2 254.334 -0.325 20 0 CBADLP Cc1cc(C[NH2+]CCNC(=O)CC[NH+]2CCOCC2)no1 ZINC001135336698 814462924 /nfs/dbraw/zinc/46/29/24/814462924.db2.gz HWXXNBUUYHQHBF-UHFFFAOYSA-N 2 2 296.371 -0.089 20 0 CBADLP CNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001135552930 814490824 /nfs/dbraw/zinc/49/08/24/814490824.db2.gz MQUDYEYZXQJNFG-ZJUUUORDSA-N 2 2 281.360 -0.429 20 0 CBADLP O=C(NCCC[NH2+]CCO)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001160337176 815616838 /nfs/dbraw/zinc/61/68/38/815616838.db2.gz VMPITUIJOCONCE-NXEZZACHSA-N 2 2 252.318 -0.399 20 0 CBADLP O=C(NCCC[NH2+]CCO)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001160337176 815616840 /nfs/dbraw/zinc/61/68/40/815616840.db2.gz VMPITUIJOCONCE-NXEZZACHSA-N 2 2 252.318 -0.399 20 0 CBADLP CC(C)CNC(=O)[C@H](C)[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001135766138 814521371 /nfs/dbraw/zinc/52/13/71/814521371.db2.gz JOEPQLHJBUBDPC-NSHDSACASA-N 2 2 295.387 -0.181 20 0 CBADLP CC[C@H](C)NC(=O)[C@@H](C)[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001135766566 814521818 /nfs/dbraw/zinc/52/18/18/814521818.db2.gz YFPYIGXSPGFMLR-WDEREUQCSA-N 2 2 295.387 -0.039 20 0 CBADLP C[C@H](C[C@H](C)[NH2+]CC(=O)N(C)C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001135798270 814529366 /nfs/dbraw/zinc/52/93/66/814529366.db2.gz DEFUCWGOZMNMAD-WDEREUQCSA-N 2 2 295.387 -0.087 20 0 CBADLP CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001135799250 814529464 /nfs/dbraw/zinc/52/94/64/814529464.db2.gz UJYLBWRSZDFFLR-WDEREUQCSA-N 2 2 295.387 -0.039 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1C[C@@H](OCC2CC2)[C@H]2COC[C@H]21 ZINC001160405609 815619435 /nfs/dbraw/zinc/61/94/35/815619435.db2.gz WYCOPMOMIITKJO-QSLWVIQJSA-N 2 2 295.383 -0.815 20 0 CBADLP C[C@@H](C[C@H](C)[NH2+]CCO)NC(=O)Cc1c[nH+]cn1C ZINC001135949197 814538745 /nfs/dbraw/zinc/53/87/45/814538745.db2.gz JGCBOWHUFMPYPW-QWRGUYRKSA-N 2 2 268.361 -0.172 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(N)=O ZINC001136031134 814547701 /nfs/dbraw/zinc/54/77/01/814547701.db2.gz GGIIVWFMCUBNKM-BDAKNGLRSA-N 2 2 281.360 -0.381 20 0 CBADLP CNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001136032360 814548060 /nfs/dbraw/zinc/54/80/60/814548060.db2.gz ZSGYCCYIJNRJDJ-VHSXEESVSA-N 2 2 295.387 -0.120 20 0 CBADLP C[N@H+](CCN1CC[NH+](C)CC1)Cc1cnc(N)nc1 ZINC001138166498 814602057 /nfs/dbraw/zinc/60/20/57/814602057.db2.gz VAVCFTLRMRVWGF-UHFFFAOYSA-N 2 2 264.377 -0.262 20 0 CBADLP COC[C@]12CCCO[C@H]1CCN(C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)C2 ZINC001159625713 815582821 /nfs/dbraw/zinc/58/28/21/815582821.db2.gz ZMFSAOIVSUQSDD-UKTARXLSSA-N 2 2 297.399 -0.280 20 0 CBADLP Cc1cc(N(C(N)=[NH2+])C(=O)CCN2CC[NH+](C)CC2)n[nH]1 ZINC001143238394 814765919 /nfs/dbraw/zinc/76/59/19/814765919.db2.gz SCKGLOYNDRUTLT-UHFFFAOYSA-N 2 2 293.375 -0.418 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CC3CC2(C(=O)N2CCCC2)C3)C1 ZINC001159688222 815588908 /nfs/dbraw/zinc/58/89/08/815588908.db2.gz OYANRVXIGJMBAZ-OOLXCHQQSA-N 2 2 292.383 -0.711 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NCC[NH2+][C@H]1CCCN(C)C1=O ZINC001147871557 814920257 /nfs/dbraw/zinc/92/02/57/814920257.db2.gz BLWWRBQLCSLVFW-LBPRGKRZSA-N 2 2 293.371 -0.711 20 0 CBADLP CO[C@@H](C)C[NH2+]CCNC(=O)Cc1c[nH+]cn1C ZINC001147871677 814920938 /nfs/dbraw/zinc/92/09/38/814920938.db2.gz HUNZYDQALZWECE-JTQLQIEISA-N 2 2 254.334 -0.297 20 0 CBADLP CCCNC(=O)C[NH2+]CCNC(=O)Cc1c[nH+]cn1C ZINC001147871999 814921143 /nfs/dbraw/zinc/92/11/43/814921143.db2.gz WLZWLNUTMDEDKB-UHFFFAOYSA-N 2 2 281.360 -0.805 20 0 CBADLP COCCC[NH2+]CCNC(=O)Cc1c[nH+]cn1C ZINC001147871941 814921283 /nfs/dbraw/zinc/92/12/83/814921283.db2.gz STPHUYODJAQXTQ-UHFFFAOYSA-N 2 2 254.334 -0.295 20 0 CBADLP CCN1CC[C@H]([NH2+]CCNC(=O)Cc2c[nH+]cn2C)C1=O ZINC001147877359 814922125 /nfs/dbraw/zinc/92/21/25/814922125.db2.gz IIXIBYULZYRFDT-LBPRGKRZSA-N 2 2 293.371 -0.711 20 0 CBADLP CC[C@@]([NH3+])(CO)Nc1ccnc(N2CC[NH+](C)CC2)n1 ZINC001159747554 815592506 /nfs/dbraw/zinc/59/25/06/815592506.db2.gz GVMHFFIWDFYJJC-ZDUSSCGKSA-N 2 2 280.376 -0.302 20 0 CBADLP COCCN(C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])C1CC[NH+](C)CC1 ZINC001160441190 815622207 /nfs/dbraw/zinc/62/22/07/815622207.db2.gz VJSFDMSVJIBUTM-STQMWFEESA-N 3 2 284.404 -0.898 20 0 CBADLP C[C@H]1C(=O)NCCN1C(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001160451357 815623354 /nfs/dbraw/zinc/62/33/54/815623354.db2.gz MSGFKQHXTJOQFA-JOYOIKCWSA-N 2 2 276.340 -0.394 20 0 CBADLP CCN(CCC(N)=O)C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001160470876 815626088 /nfs/dbraw/zinc/62/60/88/815626088.db2.gz JNUOWKYKVFGPQE-VIFPVBQESA-N 2 2 253.306 -0.997 20 0 CBADLP Cc1cc(CN(C)C(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)n(C)n1 ZINC001160474435 815627168 /nfs/dbraw/zinc/62/71/68/815627168.db2.gz FHGHBMZGFQNSGC-GFCCVEGCSA-N 2 2 276.344 -0.020 20 0 CBADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)N1CCn2cccc2C1 ZINC001160476751 815628457 /nfs/dbraw/zinc/62/84/57/815628457.db2.gz MOUCRVFWGYBOPC-CQSZACIVSA-N 2 2 291.399 -0.419 20 0 CBADLP CC[NH+]1CCC(N(C)C(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)CC1 ZINC001160537590 815634351 /nfs/dbraw/zinc/63/43/51/815634351.db2.gz NHLQVXLNUCJCFM-DOMZBBRYSA-N 3 2 280.416 -0.119 20 0 CBADLP N=c1nc([C@H]2CCC[NH2+]2)ccn1C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001160539512 815634400 /nfs/dbraw/zinc/63/44/00/815634400.db2.gz VWEXYRNVQKQNHY-KKZNHRDASA-N 3 2 276.344 -0.884 20 0 CBADLP Cn1ncc2c1CN(C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)C2 ZINC001160564809 815638925 /nfs/dbraw/zinc/63/89/25/815638925.db2.gz LBNJUNSXNBATJJ-JTQLQIEISA-N 2 2 260.301 -0.445 20 0 CBADLP O=C(N1CCC2(CCC(=O)O2)CC1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160575793 815639605 /nfs/dbraw/zinc/63/96/05/815639605.db2.gz JERGHCPKIWTZJF-ABAIWWIYSA-N 2 2 293.367 -0.364 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCC[C@H](CCO)C1 ZINC001160610332 815645441 /nfs/dbraw/zinc/64/54/41/815645441.db2.gz AIWOZSDJVJAJBK-YPMHNXCESA-N 2 2 280.372 -0.089 20 0 CBADLP COC(=O)[C@@]1(C)CCCN(C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])C1 ZINC001160636171 815647994 /nfs/dbraw/zinc/64/79/94/815647994.db2.gz OXQUXZNBOYNDHX-KWBADKCTSA-N 2 2 269.345 -0.665 20 0 CBADLP C[C@H]1CC(=O)CCN1C(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160642522 815650215 /nfs/dbraw/zinc/65/02/15/815650215.db2.gz KOGVHQUHJHRAHI-OPQQBVKSSA-N 2 2 251.330 -0.482 20 0 CBADLP CO[C@@H]1CCCN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)C1 ZINC001160647519 815651746 /nfs/dbraw/zinc/65/17/46/815651746.db2.gz LOBMTHGGMDZCRD-UZWSLXQKSA-N 2 2 253.346 -0.154 20 0 CBADLP C[C@@H]1C[C@H](O)CCN1C(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001160655916 815652930 /nfs/dbraw/zinc/65/29/30/815652930.db2.gz RPHUCRJFCDZXDZ-FBIMIBRVSA-N 2 2 252.318 -0.349 20 0 CBADLP COC(=O)CN(Cc1ccccc1)C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001160658260 815654579 /nfs/dbraw/zinc/65/45/79/815654579.db2.gz RTRNGIOGYFVNOF-STQMWFEESA-N 2 2 291.351 -0.265 20 0 CBADLP CC(C)[C@@H]1COCCN1C(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160670332 815655818 /nfs/dbraw/zinc/65/58/18/815655818.db2.gz XCEMLSZLNLUCLE-DYEKYZERSA-N 2 2 267.373 -0.179 20 0 CBADLP CC(C)[C@@H]1COCCN1C(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160670334 815655984 /nfs/dbraw/zinc/65/59/84/815655984.db2.gz XCEMLSZLNLUCLE-OBJOEFQTSA-N 2 2 267.373 -0.179 20 0 CBADLP [NH3+]C[C@H](O)CC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001160689588 815656904 /nfs/dbraw/zinc/65/69/04/815656904.db2.gz PFSXDFQUUVDUCX-VHSXEESVSA-N 2 2 252.318 -0.175 20 0 CBADLP [NH3+]C[C@@H](O)CC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001160689586 815657241 /nfs/dbraw/zinc/65/72/41/815657241.db2.gz PFSXDFQUUVDUCX-UWVGGRQHSA-N 2 2 252.318 -0.175 20 0 CBADLP COC(CN(C)C(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2)OC ZINC001160684407 815657371 /nfs/dbraw/zinc/65/73/71/815657371.db2.gz UGZWGPYULJQNNU-CABZTGNLSA-N 2 2 257.334 -0.985 20 0 CBADLP O=C([C@@H]1C[NH2+]CCN1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001160694211 815658378 /nfs/dbraw/zinc/65/83/78/815658378.db2.gz TWPBJAWZLJMQCE-QWRGUYRKSA-N 2 2 263.345 -0.323 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCC(n3cnnc3)CC2)C1 ZINC001160722069 815663229 /nfs/dbraw/zinc/66/32/29/815663229.db2.gz LXBHFTYERGXCSH-KOLCDFICSA-N 2 2 264.333 -0.869 20 0 CBADLP O=C(C[NH2+]C1CC[NH2+]CC1)N1CC[NH+]2CCC1CC2 ZINC001160726559 815664602 /nfs/dbraw/zinc/66/46/02/815664602.db2.gz PWAVUNMDHLLIFV-UHFFFAOYSA-N 3 2 266.389 -0.365 20 0 CBADLP CC(=O)OC[C@H]([NH3+])C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC001160726826 815664868 /nfs/dbraw/zinc/66/48/68/815664868.db2.gz XGNAQNAUKYJTPY-LBPRGKRZSA-N 2 2 280.328 -0.063 20 0 CBADLP [NH3+]C1(C(=O)N2CCc3ccc(=O)[nH]c3CC2)CC[NH2+]CC1 ZINC001160756552 815667352 /nfs/dbraw/zinc/66/73/52/815667352.db2.gz PGUAJQMSIRCOHJ-UHFFFAOYSA-N 2 2 290.367 -0.205 20 0 CBADLP O=C(N1CCc2nccn2CC1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160760226 815668663 /nfs/dbraw/zinc/66/86/63/815668663.db2.gz HWKXBFALRSPGCG-RISCZKNCSA-N 2 2 275.356 -0.781 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2C[C@@H]3COC[C@H](C2)C3(F)F)C1 ZINC001160760729 815668953 /nfs/dbraw/zinc/66/89/53/815668953.db2.gz PWUSMMFDADNKDW-RGOKHQFPSA-N 2 2 275.299 -0.584 20 0 CBADLP COC(=O)[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1([NH3+])CC[NH2+]CC1)C2 ZINC001160820453 815674829 /nfs/dbraw/zinc/67/48/29/815674829.db2.gz VPHNTNJIORTIKG-SRVKXCTJSA-N 2 2 295.383 -0.133 20 0 CBADLP Cc1cn(C(C)(C)C(=O)NCCC[NH2+]CC(N)=O)c[nH+]1 ZINC001160819989 815674867 /nfs/dbraw/zinc/67/48/67/815674867.db2.gz AKJSEZWDJHLENE-UHFFFAOYSA-N 2 2 281.360 -0.492 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCC(n3cccn3)CC2)C1 ZINC001160845642 815677199 /nfs/dbraw/zinc/67/71/99/815677199.db2.gz FEQQZHKKBOCKRD-PWSUYJOCSA-N 2 2 263.345 -0.264 20 0 CBADLP O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001160848456 815679440 /nfs/dbraw/zinc/67/94/40/815679440.db2.gz GBHMZDAPKUBXMI-QWRGUYRKSA-N 2 2 264.329 -0.162 20 0 CBADLP O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC001160848456 815679442 /nfs/dbraw/zinc/67/94/42/815679442.db2.gz GBHMZDAPKUBXMI-QWRGUYRKSA-N 2 2 264.329 -0.162 20 0 CBADLP CSc1ncc2c(n1)CN(C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])CC2 ZINC001160942617 815689977 /nfs/dbraw/zinc/68/99/77/815689977.db2.gz XNBJOQKXCLCIMH-UWVGGRQHSA-N 2 2 293.396 -0.370 20 0 CBADLP O=C(N1CC(O)([C@H]2CCCC[NH2+]2)C1)C1(F)C[NH2+]C1 ZINC001160999636 815692318 /nfs/dbraw/zinc/69/23/18/815692318.db2.gz JITPTZIKHHTXAT-SECBINFHSA-N 2 2 257.309 -0.987 20 0 CBADLP CC(C)OC1CN(C(=O)[C@@H](N)C[NH+]2CCC([NH3+])CC2)C1 ZINC001161010649 815694792 /nfs/dbraw/zinc/69/47/92/815694792.db2.gz YLLNULGZKOWZSO-ZDUSSCGKSA-N 2 2 284.404 -0.627 20 0 CBADLP CC(=O)[C@@H]1CCN(C(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)C1 ZINC001161034475 815701012 /nfs/dbraw/zinc/70/10/12/815701012.db2.gz JWNGGBLPFOQLKT-PWSUYJOCSA-N 2 2 264.329 -0.273 20 0 CBADLP CC(=O)[C@@H]1CCN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)C1 ZINC001161034824 815701211 /nfs/dbraw/zinc/70/12/11/815701211.db2.gz NQLBCRNSFAKESH-UZWSLXQKSA-N 2 2 251.330 -0.354 20 0 CBADLP CN(C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2)[C@H]1CCCC[C@H]1[NH3+] ZINC001161060777 815705286 /nfs/dbraw/zinc/70/52/86/815705286.db2.gz CWZFKWWWWWWIPJ-SSKLVLDBSA-N 3 2 266.389 -0.064 20 0 CBADLP CN(C(=O)C1([NH3+])CC[NH2+]CC1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001161064959 815707290 /nfs/dbraw/zinc/70/72/90/815707290.db2.gz UGRAJCKQLWISQT-WDEREUQCSA-N 3 2 254.378 -0.204 20 0 CBADLP CN(C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2)C1(C)CC[NH2+]CC1 ZINC001161066960 815707682 /nfs/dbraw/zinc/70/76/82/815707682.db2.gz FBWDQTHLVMKYIG-GYSYKLTISA-N 3 2 266.389 -0.191 20 0 CBADLP C[N@@H+]1CCC[C@H]2CN(C(=O)[C@@H]([NH3+])Cc3c[nH]cn3)C[C@H]21 ZINC001161081354 815709254 /nfs/dbraw/zinc/70/92/54/815709254.db2.gz ITJSUPIDGDNUIN-WCFLWFBJSA-N 2 2 277.372 -0.168 20 0 CBADLP C[N@H+]1CCC[C@H]2CN(C(=O)[C@@H]([NH3+])Cc3c[nH]cn3)C[C@H]21 ZINC001161081354 815709260 /nfs/dbraw/zinc/70/92/60/815709260.db2.gz ITJSUPIDGDNUIN-WCFLWFBJSA-N 2 2 277.372 -0.168 20 0 CBADLP CCOC(=O)[C@H]1COCCN1C(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001161093690 815714294 /nfs/dbraw/zinc/71/42/94/815714294.db2.gz VKQGTWRZIOMGKB-GHMZBOCLSA-N 2 2 296.327 -0.930 20 0 CBADLP CCN(CCC(=O)OC)C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001161129427 815717359 /nfs/dbraw/zinc/71/73/59/815717359.db2.gz BYJIYAHAGBFBRJ-JTQLQIEISA-N 2 2 268.317 -0.309 20 0 CBADLP CC(=O)N1CCC[C@@H](N(C)C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)C1 ZINC001161131601 815718253 /nfs/dbraw/zinc/71/82/53/815718253.db2.gz RBPNDACALKVKIB-UTUOFQBUSA-N 2 2 268.361 -0.855 20 0 CBADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)[C@@H]2CCC[C@H]2[NH3+])C1 ZINC001161138057 815718556 /nfs/dbraw/zinc/71/85/56/815718556.db2.gz MEHLMVASWFXJJK-KBVBSXBZSA-N 2 2 255.318 -0.783 20 0 CBADLP CC(=O)N1CCC[C@H](N(C)C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)C1 ZINC001161131688 815719069 /nfs/dbraw/zinc/71/90/69/815719069.db2.gz RYULWSVPLTZILR-JLNYLFASSA-N 2 2 294.399 -0.323 20 0 CBADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)[C@@H]([NH3+])Cc2ccsc2)C1 ZINC001161138813 815719804 /nfs/dbraw/zinc/71/98/04/815719804.db2.gz ZQYAQIHKIBTEOA-GXFFZTMASA-N 2 2 297.380 -0.279 20 0 CBADLP COC(=O)[C@]1([NH3+])CCN(C(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC001161138152 815720453 /nfs/dbraw/zinc/72/04/53/815720453.db2.gz ODXLEMHBBVMNFK-GWCFXTLKSA-N 2 2 269.345 -0.521 20 0 CBADLP CO[C@@H](C)C1CN(C(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)C1 ZINC001161147345 815721803 /nfs/dbraw/zinc/72/18/03/815721803.db2.gz WLVZZDDJKYYOON-KWQFWETISA-N 2 2 252.318 -0.227 20 0 CBADLP CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)C[C@@H]2C1 ZINC001161174779 815724569 /nfs/dbraw/zinc/72/45/69/815724569.db2.gz FKXZIMCNOBLJDG-RVMXOQNASA-N 3 2 266.389 -0.524 20 0 CBADLP CCC[NH+]1C[C@H]2CN(C(=O)C[C@H]([NH3+])C(=O)OC)C[C@@H]2C1 ZINC001161176611 815726645 /nfs/dbraw/zinc/72/66/45/815726645.db2.gz WFOUNPBHUKCGKV-SRVKXCTJSA-N 2 2 283.372 -0.323 20 0 CBADLP CN(C(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2)[C@@H]1CCC2(C1)OCCO2 ZINC001161218655 815728749 /nfs/dbraw/zinc/72/87/49/815728749.db2.gz KCMMJOGABYNQSH-ZOWXZIJZSA-N 2 2 295.383 -0.308 20 0 CBADLP O=C(NCCC[NH2+]CCO)[C@H]1CCn2c[nH+]cc2C1 ZINC001161215285 815728934 /nfs/dbraw/zinc/72/89/34/815728934.db2.gz QCFFILLBIFSWLK-NSHDSACASA-N 2 2 266.345 -0.466 20 0 CBADLP COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC001161237710 815731595 /nfs/dbraw/zinc/73/15/95/815731595.db2.gz NRMSQRWMNGGELD-TUAOUCFPSA-N 2 2 283.372 -0.310 20 0 CBADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC001161237710 815731598 /nfs/dbraw/zinc/73/15/98/815731598.db2.gz NRMSQRWMNGGELD-TUAOUCFPSA-N 2 2 283.372 -0.310 20 0 CBADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H](n2ccnn2)C1 ZINC001161235704 815732008 /nfs/dbraw/zinc/73/20/08/815732008.db2.gz WHIHQPYUMVXPTQ-VXGBXAGGSA-N 2 2 289.343 -0.265 20 0 CBADLP COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)[C@@H]([NH3+])CC(F)F ZINC001161236030 815732121 /nfs/dbraw/zinc/73/21/21/815732121.db2.gz AFLNNRZQKWYQGV-JGVFFNPUSA-N 2 2 279.287 -0.716 20 0 CBADLP COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H]([NH3+])CC(F)F ZINC001161236030 815732127 /nfs/dbraw/zinc/73/21/27/815732127.db2.gz AFLNNRZQKWYQGV-JGVFFNPUSA-N 2 2 279.287 -0.716 20 0 CBADLP COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)CC1CC[NH2+]CC1 ZINC001161237733 815732410 /nfs/dbraw/zinc/73/24/10/815732410.db2.gz NZVTYQIRDQRXKD-GFCCVEGCSA-N 2 2 283.372 -0.308 20 0 CBADLP COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)CC1CC[NH2+]CC1 ZINC001161237733 815732414 /nfs/dbraw/zinc/73/24/14/815732414.db2.gz NZVTYQIRDQRXKD-GFCCVEGCSA-N 2 2 283.372 -0.308 20 0 CBADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC2(CCC(=O)N2)CC1 ZINC001161297590 815738074 /nfs/dbraw/zinc/73/80/74/815738074.db2.gz ZHXDEJCRDGCEPD-LLVKDONJSA-N 2 2 291.355 -0.449 20 0 CBADLP C[C@@H]([NH2+]CCCNC(=O)[C@H]1CCc2[nH+]ccn2C1)C(N)=O ZINC001161301682 815738742 /nfs/dbraw/zinc/73/87/42/815738742.db2.gz WHVIXEUOHRULKR-MNOVXSKESA-N 2 2 293.371 -0.585 20 0 CBADLP C[C@@H]([NH2+]CCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)C(N)=O ZINC001161310632 815739979 /nfs/dbraw/zinc/73/99/79/815739979.db2.gz WWRFYPOMWPVBPN-GHMZBOCLSA-N 2 2 293.371 -0.585 20 0 CBADLP NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001161315319 815740107 /nfs/dbraw/zinc/74/01/07/815740107.db2.gz PNZAUPCCGRYWBW-SNVBAGLBSA-N 2 2 279.344 -0.973 20 0 CBADLP NC(=O)C[NH2+]CCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001161315037 815740218 /nfs/dbraw/zinc/74/02/18/815740218.db2.gz MWIBGJWCBLLCMA-JTQLQIEISA-N 2 2 279.344 -0.973 20 0 CBADLP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CC[C@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161378900 815749022 /nfs/dbraw/zinc/74/90/22/815749022.db2.gz NXTAYUSHXCVZMF-QWHCGFSZSA-N 4 2 283.420 -0.923 20 0 CBADLP Cc1c[nH+]ccc1O[C@H]1CCN(C(=O)CNCC[NH3+])C1 ZINC001161386949 815749295 /nfs/dbraw/zinc/74/92/95/815749295.db2.gz OASXFWWBFLQPPY-LBPRGKRZSA-N 2 2 278.356 -0.082 20 0 CBADLP CCCCOC(=O)[C@H]1CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])C1 ZINC001161460033 815757108 /nfs/dbraw/zinc/75/71/08/815757108.db2.gz GNPOFWQIHBJZSG-SRVKXCTJSA-N 2 2 283.372 -0.275 20 0 CBADLP COC(=O)[C@H]1CN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)C[C@@H]1C ZINC001161459390 815757776 /nfs/dbraw/zinc/75/77/76/815757776.db2.gz IRLRJEAHYHZTGE-UHFZAUJKSA-N 2 2 281.356 -0.796 20 0 CBADLP C[C@@]1(C[NH3+])CCCN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)C1 ZINC001161488956 815759699 /nfs/dbraw/zinc/75/96/99/815759699.db2.gz ITYCBTAJFHFYMJ-FMSGJZPZSA-N 3 2 266.389 -0.476 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCC[C@](C)(C[NH3+])C1 ZINC001161489367 815760008 /nfs/dbraw/zinc/76/00/08/815760008.db2.gz LXHYJGYAQVTQFQ-GXTWGEPZSA-N 3 2 279.388 -0.123 20 0 CBADLP C[C@@]1(C[NH3+])CCCN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)C1 ZINC001161489424 815761739 /nfs/dbraw/zinc/76/17/39/815761739.db2.gz MUJFAYUQOSAQPP-RFHZTLPTSA-N 3 2 266.389 -0.204 20 0 CBADLP C[C@@H]1CN(C2CN(C(=O)C3([NH3+])CC[NH2+]CC3)C2)C[C@H](C)O1 ZINC001161500472 815763770 /nfs/dbraw/zinc/76/37/70/815763770.db2.gz XTSOLOMWKCFWRA-TXEJJXNPSA-N 2 2 296.415 -0.613 20 0 CBADLP COC(=O)[C@@H]([NH3+])CCC(=O)N1CC2(C1)C[NH+](C)C2 ZINC001161532254 815768067 /nfs/dbraw/zinc/76/80/67/815768067.db2.gz PRIXBSGUUCKAHU-VIFPVBQESA-N 2 2 255.318 -0.959 20 0 CBADLP CO[C@@H]1CCN(C(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)[C@H](C)C1 ZINC001161534044 815768164 /nfs/dbraw/zinc/76/81/64/815768164.db2.gz CMAVVSZTSUUBIO-HKUMRIAESA-N 2 2 267.373 -0.036 20 0 CBADLP CN1CC[NH+](CCC(=O)N2CC[NH2+]C3(CC3)C2)CC1 ZINC001161544627 815769146 /nfs/dbraw/zinc/76/91/46/815769146.db2.gz CDCNPEUNBZOMRH-UHFFFAOYSA-N 2 2 266.389 -0.412 20 0 CBADLP C[NH+]1CCN(CCC(=O)N2CC[NH2+]C3(CC3)C2)CC1 ZINC001161544627 815769151 /nfs/dbraw/zinc/76/91/51/815769151.db2.gz CDCNPEUNBZOMRH-UHFFFAOYSA-N 2 2 266.389 -0.412 20 0 CBADLP CNC(=O)C[NH2+]CCCNC(=O)c1cccc2[nH+]ccn21 ZINC001162427681 815815528 /nfs/dbraw/zinc/81/55/28/815815528.db2.gz LBFSRNLPGAIJJR-UHFFFAOYSA-N 2 2 289.339 -0.210 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NCCC[NH2+]Cc1nnn(C)n1 ZINC001162626883 815836501 /nfs/dbraw/zinc/83/65/01/815836501.db2.gz CSILVVBYRLDKLN-UHFFFAOYSA-N 2 2 292.347 -0.989 20 0 CBADLP CNC(=O)[C@H](CCCC[NH3+])Nc1cc(N)nc[nH+]1 ZINC001163445438 815885327 /nfs/dbraw/zinc/88/53/27/815885327.db2.gz RPCAGQOXJSCARK-QMMMGPOBSA-N 2 2 252.322 -0.286 20 0 CBADLP C[C@H]([NH2+]CCCNC(=O)CCn1cc[nH+]c1)C(=O)N(C)C ZINC001163593617 815891476 /nfs/dbraw/zinc/89/14/76/815891476.db2.gz NOJJYFZJCZHVMF-LBPRGKRZSA-N 2 2 295.387 -0.154 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001292586048 816469775 /nfs/dbraw/zinc/46/97/75/816469775.db2.gz IMWBSBDEQYVASK-GFCCVEGCSA-N 2 2 293.371 -0.413 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NCCNC(=O)Cc1c[nH+]cn1C ZINC001292857183 816487805 /nfs/dbraw/zinc/48/78/05/816487805.db2.gz OKYSMKRWJCKOSG-UHFFFAOYSA-N 2 2 295.387 -0.465 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NCCNC(=O)Cc1c[nH+]cn1C ZINC001292857183 816487809 /nfs/dbraw/zinc/48/78/09/816487809.db2.gz OKYSMKRWJCKOSG-UHFFFAOYSA-N 2 2 295.387 -0.465 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H]1C[C@H]([NH2+]CCCO)C1 ZINC001316639042 816875002 /nfs/dbraw/zinc/87/50/02/816875002.db2.gz IDEGBAGTKPKRDE-XYPYZODXSA-N 2 2 266.345 -0.181 20 0 CBADLP Cn1ncc(C[N@H+](C)CCCNC(=O)[C@@H]2CCC[NH+]2C)n1 ZINC001316814960 816880798 /nfs/dbraw/zinc/88/07/98/816880798.db2.gz ICTKWEMYWNVBRS-ZDUSSCGKSA-N 2 2 294.403 -0.153 20 0 CBADLP Cn1ncc(C[N@@H+](C)CCCNC(=O)[C@@H]2CCC[NH+]2C)n1 ZINC001316814960 816880804 /nfs/dbraw/zinc/88/08/04/816880804.db2.gz ICTKWEMYWNVBRS-ZDUSSCGKSA-N 2 2 294.403 -0.153 20 0 CBADLP Cn1ncc(C[NH+](C)CCCNC(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC001316814960 816880811 /nfs/dbraw/zinc/88/08/11/816880811.db2.gz ICTKWEMYWNVBRS-ZDUSSCGKSA-N 2 2 294.403 -0.153 20 0 CBADLP Cn1ncc(C[NH+](C)CCCNC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001316814960 816880819 /nfs/dbraw/zinc/88/08/19/816880819.db2.gz ICTKWEMYWNVBRS-ZDUSSCGKSA-N 2 2 294.403 -0.153 20 0 CBADLP Cn1cnnc1C[N@@H+](C)CCCNC(=O)C[NH+]1CCCC1 ZINC001316864867 816894845 /nfs/dbraw/zinc/89/48/45/816894845.db2.gz CWOJLGRKAJDAPV-UHFFFAOYSA-N 2 2 294.403 -0.151 20 0 CBADLP CC[N@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)[C@@H](C)C(=O)NC ZINC001316904865 816902201 /nfs/dbraw/zinc/90/22/01/816902201.db2.gz NLOWDORLEWVXQC-NSHDSACASA-N 2 2 295.387 -0.085 20 0 CBADLP CC[N@@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)[C@@H](C)C(=O)NC ZINC001316904865 816902205 /nfs/dbraw/zinc/90/22/05/816902205.db2.gz NLOWDORLEWVXQC-NSHDSACASA-N 2 2 295.387 -0.085 20 0 CBADLP C[C@H](O)C[N@@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001316982984 816914069 /nfs/dbraw/zinc/91/40/69/816914069.db2.gz MMYFQWUYNNLQPD-JQWIXIFHSA-N 2 2 266.345 -0.086 20 0 CBADLP C[C@H](O)C[N@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001316982984 816914073 /nfs/dbraw/zinc/91/40/73/816914073.db2.gz MMYFQWUYNNLQPD-JQWIXIFHSA-N 2 2 266.345 -0.086 20 0 CBADLP C[C@H](O)C[N@@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001316982984 816914079 /nfs/dbraw/zinc/91/40/79/816914079.db2.gz MMYFQWUYNNLQPD-JQWIXIFHSA-N 2 2 266.345 -0.086 20 0 CBADLP C[C@H](O)C[N@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001316982984 816914084 /nfs/dbraw/zinc/91/40/84/816914084.db2.gz MMYFQWUYNNLQPD-JQWIXIFHSA-N 2 2 266.345 -0.086 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H]([NH2+]CCO)C1CC1 ZINC001317029554 816921161 /nfs/dbraw/zinc/92/11/61/816921161.db2.gz VIVMCVCGXIBZPX-SNVBAGLBSA-N 2 2 252.318 -0.571 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H]([NH2+]CCO)C1CC1 ZINC001317029552 816921550 /nfs/dbraw/zinc/92/15/50/816921550.db2.gz VIVMCVCGXIBZPX-JTQLQIEISA-N 2 2 252.318 -0.571 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCC[N@H+](CCO)C1CC1 ZINC001317559694 817009891 /nfs/dbraw/zinc/00/98/91/817009891.db2.gz GLHNZMCRWKQDIJ-UHFFFAOYSA-N 2 2 266.345 -0.166 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCC[N@@H+](CCO)C1CC1 ZINC001317559694 817009896 /nfs/dbraw/zinc/00/98/96/817009896.db2.gz GLHNZMCRWKQDIJ-UHFFFAOYSA-N 2 2 266.345 -0.166 20 0 CBADLP CN(CC[NH2+]Cc1cnn(C)c1)C(=O)Cc1c[nH+]cn1C ZINC001317654036 817040603 /nfs/dbraw/zinc/04/06/03/817040603.db2.gz HRIIGPXASNZKMA-UHFFFAOYSA-N 2 2 290.371 -0.056 20 0 CBADLP CNC(=O)C[N@H+](CCCNC(=O)Cn1cc[nH+]c1)C(C)C ZINC001317711402 817045485 /nfs/dbraw/zinc/04/54/85/817045485.db2.gz ODNSOKAPDCTRCJ-UHFFFAOYSA-N 2 2 295.387 -0.154 20 0 CBADLP CNC(=O)C[N@@H+](CCCNC(=O)Cn1cc[nH+]c1)C(C)C ZINC001317711402 817045491 /nfs/dbraw/zinc/04/54/91/817045491.db2.gz ODNSOKAPDCTRCJ-UHFFFAOYSA-N 2 2 295.387 -0.154 20 0 CBADLP CCOCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001318393547 817106210 /nfs/dbraw/zinc/10/62/10/817106210.db2.gz LABOBKFGSYXAKQ-ZIAGYGMSSA-N 2 2 299.415 -0.114 20 0 CBADLP CCOCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001318393547 817106214 /nfs/dbraw/zinc/10/62/14/817106214.db2.gz LABOBKFGSYXAKQ-ZIAGYGMSSA-N 2 2 299.415 -0.114 20 0 CBADLP CCOCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001318393547 817106219 /nfs/dbraw/zinc/10/62/19/817106219.db2.gz LABOBKFGSYXAKQ-ZIAGYGMSSA-N 2 2 299.415 -0.114 20 0 CBADLP CCOCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001318393547 817106221 /nfs/dbraw/zinc/10/62/21/817106221.db2.gz LABOBKFGSYXAKQ-ZIAGYGMSSA-N 2 2 299.415 -0.114 20 0 CBADLP CCOCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001318393544 817106242 /nfs/dbraw/zinc/10/62/42/817106242.db2.gz LABOBKFGSYXAKQ-UONOGXRCSA-N 2 2 299.415 -0.114 20 0 CBADLP CCOCC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001318393544 817106246 /nfs/dbraw/zinc/10/62/46/817106246.db2.gz LABOBKFGSYXAKQ-UONOGXRCSA-N 2 2 299.415 -0.114 20 0 CBADLP CCOCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001318393544 817106249 /nfs/dbraw/zinc/10/62/49/817106249.db2.gz LABOBKFGSYXAKQ-UONOGXRCSA-N 2 2 299.415 -0.114 20 0 CBADLP CCOCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001318393544 817106251 /nfs/dbraw/zinc/10/62/51/817106251.db2.gz LABOBKFGSYXAKQ-UONOGXRCSA-N 2 2 299.415 -0.114 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NC3CC3)C2)CC1 ZINC001318628584 817129108 /nfs/dbraw/zinc/12/91/08/817129108.db2.gz BELIVVPKEPJXOA-LBPRGKRZSA-N 2 2 294.399 -0.450 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NC3CC3)C2)CC1 ZINC001318628584 817129111 /nfs/dbraw/zinc/12/91/11/817129111.db2.gz BELIVVPKEPJXOA-LBPRGKRZSA-N 2 2 294.399 -0.450 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH+]2CC=CC2)C1 ZINC001318953081 817152523 /nfs/dbraw/zinc/15/25/23/817152523.db2.gz QMYOARPZFYKFDR-LBPRGKRZSA-N 2 2 253.346 -0.305 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)NCC[NH+]2CC=CC2)C1 ZINC001318953081 817152529 /nfs/dbraw/zinc/15/25/29/817152529.db2.gz QMYOARPZFYKFDR-LBPRGKRZSA-N 2 2 253.346 -0.305 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC001320144342 817282309 /nfs/dbraw/zinc/28/23/09/817282309.db2.gz BCOYHFRHSHTXKU-UPJWGTAASA-N 2 2 268.405 -0.182 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC001320144342 817282316 /nfs/dbraw/zinc/28/23/16/817282316.db2.gz BCOYHFRHSHTXKU-UPJWGTAASA-N 2 2 268.405 -0.182 20 0 CBADLP C[C@H](C(=O)NC[C@@]1(O)CC[N@H+](C)C1)n1cc[nH+]c1 ZINC001320222642 817297478 /nfs/dbraw/zinc/29/74/78/817297478.db2.gz FDOGANZNUCLKBW-PWSUYJOCSA-N 2 2 252.318 -0.373 20 0 CBADLP C[C@H](C(=O)NC[C@@]1(O)CC[N@@H+](C)C1)n1cc[nH+]c1 ZINC001320222642 817297482 /nfs/dbraw/zinc/29/74/82/817297482.db2.gz FDOGANZNUCLKBW-PWSUYJOCSA-N 2 2 252.318 -0.373 20 0 CBADLP C[C@@H](CC[NH2+]Cc1ccon1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001320375456 817328738 /nfs/dbraw/zinc/32/87/38/817328738.db2.gz IIIWUQFTSJTTHD-AAEUAGOBSA-N 2 2 296.371 -0.010 20 0 CBADLP C[C@@H](CC[NH2+]Cc1ccon1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001320375456 817328744 /nfs/dbraw/zinc/32/87/44/817328744.db2.gz IIIWUQFTSJTTHD-AAEUAGOBSA-N 2 2 296.371 -0.010 20 0 CBADLP C[C@H](CC[NH2+]CC(N)=O)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001320457314 817340397 /nfs/dbraw/zinc/34/03/97/817340397.db2.gz XUXRGWNIOKLVBX-OPRDCNLKSA-N 2 2 279.344 -0.517 20 0 CBADLP C[C@H](CC[NH2+]CC(N)=O)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001320457314 817340407 /nfs/dbraw/zinc/34/04/07/817340407.db2.gz XUXRGWNIOKLVBX-OPRDCNLKSA-N 2 2 279.344 -0.517 20 0 CBADLP C[C@@H](CC[NH2+]Cc1cnnn1C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001320563332 817355317 /nfs/dbraw/zinc/35/53/17/817355317.db2.gz OMCGRVXFEFUBHT-JTQLQIEISA-N 2 2 291.359 -0.235 20 0 CBADLP OCC[NH+]1CCN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001320627000 817364900 /nfs/dbraw/zinc/36/49/00/817364900.db2.gz YJBNSCKYQLTWIZ-OKILXGFUSA-N 2 2 269.389 -0.541 20 0 CBADLP OCC[NH+]1CCN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001320627000 817364910 /nfs/dbraw/zinc/36/49/10/817364910.db2.gz YJBNSCKYQLTWIZ-OKILXGFUSA-N 2 2 269.389 -0.541 20 0 CBADLP CCN(CC[NH2+]C[C@@H](C)O)C(=O)Cc1c[nH+]c[nH]1 ZINC001320854203 817403659 /nfs/dbraw/zinc/40/36/59/817403659.db2.gz KBNHEVOBSSNDNA-SNVBAGLBSA-N 2 2 254.334 -0.229 20 0 CBADLP CCN(CC[NH2+]C[C@H](C)O)C(=O)Cc1c[nH+]c[nH]1 ZINC001320854202 817404258 /nfs/dbraw/zinc/40/42/58/817404258.db2.gz KBNHEVOBSSNDNA-JTQLQIEISA-N 2 2 254.334 -0.229 20 0 CBADLP C[C@@H](CC(=O)NC/C=C\C[NH2+]CC(N)=O)n1cc[nH+]c1 ZINC001321269863 817470958 /nfs/dbraw/zinc/47/09/58/817470958.db2.gz FJGBMKPNNOGMEA-QUCGXOGASA-N 2 2 279.344 -0.419 20 0 CBADLP C[C@H](CC(=O)NC/C=C\C[NH2+]CC(N)=O)n1cc[nH+]c1 ZINC001321269861 817471759 /nfs/dbraw/zinc/47/17/59/817471759.db2.gz FJGBMKPNNOGMEA-OTDNITJGSA-N 2 2 279.344 -0.419 20 0 CBADLP COCC[NH2+]C/C=C/CNC(=O)Cc1c[nH+]cn1C ZINC001321339343 817484462 /nfs/dbraw/zinc/48/44/62/817484462.db2.gz UQUCJPNIYDRXAB-ONEGZZNKSA-N 2 2 266.345 -0.129 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC/C=C\C[NH2+][C@H]1CCNC1=O ZINC001321340080 817486064 /nfs/dbraw/zinc/48/60/64/817486064.db2.gz XUSOWKZQHYOAHV-DLGQBQFBSA-N 2 2 291.355 -0.887 20 0 CBADLP CN(c1ccn2cc(N)[nH+]c2c1)S(=O)(=O)CC[NH3+] ZINC001164296764 819904000 /nfs/dbraw/zinc/90/40/00/819904000.db2.gz OYTGLYHNNRRXBB-UHFFFAOYSA-N 2 2 269.330 -0.359 20 0 CBADLP COC(=O)[C@@H]1C[C@H](Nc2cc(C[NH3+])ccn2)C[NH2+]1 ZINC001164300732 819905313 /nfs/dbraw/zinc/90/53/13/819905313.db2.gz WWVGOSPSNZREND-UWVGGRQHSA-N 2 2 250.302 -0.144 20 0 CBADLP CN(C[C@@H](O)CO)c1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC001165536040 819973284 /nfs/dbraw/zinc/97/32/84/819973284.db2.gz WMJKQEJDOITHOD-GFCCVEGCSA-N 2 2 266.345 -0.719 20 0 CBADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCC[NH2+]C(C)C ZINC001165731965 819982125 /nfs/dbraw/zinc/98/21/25/819982125.db2.gz RQWMLQPBFIPRHF-ZDUSSCGKSA-N 2 2 295.387 -0.039 20 0 CBADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCC[NH2+]C(C)C ZINC001165731965 819982134 /nfs/dbraw/zinc/98/21/34/819982134.db2.gz RQWMLQPBFIPRHF-ZDUSSCGKSA-N 2 2 295.387 -0.039 20 0 CBADLP NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001166408173 820000155 /nfs/dbraw/zinc/00/01/55/820000155.db2.gz KRHCEULKMPKRKD-SECBINFHSA-N 2 2 279.344 -0.589 20 0 CBADLP C[C@H]1C(=O)NCCN1c1nc(N2CCC([NH3+])CC2)cc[nH+]1 ZINC001166559211 820003557 /nfs/dbraw/zinc/00/35/57/820003557.db2.gz DIALBBJEKVIGNY-JTQLQIEISA-N 2 2 290.371 -0.271 20 0 CBADLP C[C@@H]1CCC[N@@H+]1CC(=O)NCCC[NH2+]Cc1nnn(C)n1 ZINC001166634856 820010388 /nfs/dbraw/zinc/01/03/88/820010388.db2.gz WEMJZFFMEMISCB-LLVKDONJSA-N 2 2 295.391 -0.710 20 0 CBADLP C[C@@H]1CCC[N@H+]1CC(=O)NCCC[NH2+]Cc1nnn(C)n1 ZINC001166634856 820010401 /nfs/dbraw/zinc/01/04/01/820010401.db2.gz WEMJZFFMEMISCB-LLVKDONJSA-N 2 2 295.391 -0.710 20 0 CBADLP COC[C@H](O)C[NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001167345872 820080875 /nfs/dbraw/zinc/08/08/75/820080875.db2.gz BISBUTFTIGBSOF-LLVKDONJSA-N 2 2 270.333 -0.945 20 0 CBADLP CCn1cc(C[NH2+]CCCNC(=O)Cc2c[nH]c[nH+]2)nn1 ZINC001167349559 820083259 /nfs/dbraw/zinc/08/32/59/820083259.db2.gz AXNLBWLTMNWJLR-UHFFFAOYSA-N 2 2 291.359 -0.140 20 0 CBADLP C[C@@H](CC(=O)NCCC[NH2+][C@@H](C)C(N)=O)n1cc[nH+]c1 ZINC001167428715 820088948 /nfs/dbraw/zinc/08/89/48/820088948.db2.gz MJSLSOQZRBYVBG-QWRGUYRKSA-N 2 2 281.360 -0.196 20 0 CBADLP COc1cc2[nH+]ccn2cc1-n1nnc(CC[NH3+])n1 ZINC001167792198 820120201 /nfs/dbraw/zinc/12/02/01/820120201.db2.gz ZWOOKWDZIIDEJL-UHFFFAOYSA-N 2 2 259.273 -0.180 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001167977008 820136568 /nfs/dbraw/zinc/13/65/68/820136568.db2.gz FMWGKDHUNRITHN-QWRGUYRKSA-N 2 2 295.387 -0.181 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001167977008 820136573 /nfs/dbraw/zinc/13/65/73/820136573.db2.gz FMWGKDHUNRITHN-QWRGUYRKSA-N 2 2 295.387 -0.181 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001167977007 820137486 /nfs/dbraw/zinc/13/74/86/820137486.db2.gz FMWGKDHUNRITHN-MNOVXSKESA-N 2 2 295.387 -0.181 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001167977007 820137489 /nfs/dbraw/zinc/13/74/89/820137489.db2.gz FMWGKDHUNRITHN-MNOVXSKESA-N 2 2 295.387 -0.181 20 0 CBADLP C[NH+]1CCN(C(=[NH2+])Nc2cc(C(N)=O)ncn2)CC1 ZINC001168736995 820169668 /nfs/dbraw/zinc/16/96/68/820169668.db2.gz TUXCVBFKKRLASS-UHFFFAOYSA-N 2 2 263.305 -0.830 20 0 CBADLP [NH3+]Cc1nc(=O)[nH]n1-c1ccc(O[C@@H]2CCC[NH2+]C2)nn1 ZINC001168760357 820178924 /nfs/dbraw/zinc/17/89/24/820178924.db2.gz HUWSSEHBVLDBAR-MRVPVSSYSA-N 2 2 291.315 -0.648 20 0 CBADLP Cc1cc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nc2c1nnn2C ZINC001169071199 820202836 /nfs/dbraw/zinc/20/28/36/820202836.db2.gz HFCFKWTZNLYOGT-SECBINFHSA-N 2 2 287.327 -0.280 20 0 CBADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cc2c(cn1)CC(=O)N2 ZINC001169071286 820204476 /nfs/dbraw/zinc/20/44/76/820204476.db2.gz JNVKATJUWCNVEG-SECBINFHSA-N 2 2 273.296 -0.376 20 0 CBADLP CN(C)c1ncc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)cn1 ZINC001169073205 820204589 /nfs/dbraw/zinc/20/45/89/820204589.db2.gz CJDUNSSFWCBOHA-SECBINFHSA-N 2 2 262.317 -0.410 20 0 CBADLP COc1nc(Cl)nnc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169071370 820205123 /nfs/dbraw/zinc/20/51/23/820205123.db2.gz AGUCTZNWCFPYQI-ZCFIWIBFSA-N 2 2 284.707 -0.419 20 0 CBADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cncn2cnnc12 ZINC001169074951 820205656 /nfs/dbraw/zinc/20/56/56/820205656.db2.gz BKTJIIXCWVNHEK-MRVPVSSYSA-N 2 2 259.273 -0.828 20 0 CBADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cccn2c(=O)ccnc12 ZINC001169075564 820207076 /nfs/dbraw/zinc/20/70/76/820207076.db2.gz SYYJFACXQCKWLF-SNVBAGLBSA-N 2 2 285.307 -0.258 20 0 CBADLP CC[NH+]1CCC([NH2+]CCC[NH+](CCO)CCO)CC1 ZINC001169221490 820213690 /nfs/dbraw/zinc/21/36/90/820213690.db2.gz IYDHVGCVZVYMBG-UHFFFAOYSA-N 3 2 273.421 -0.263 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NCCC[NH2+]CCN1CCCC1=O ZINC001169211577 820214406 /nfs/dbraw/zinc/21/44/06/820214406.db2.gz GMKWZMAKWSAAOT-UHFFFAOYSA-N 2 2 293.371 -0.330 20 0 CBADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2COC[C@H]2[NH3+])CO1 ZINC001169321714 820229934 /nfs/dbraw/zinc/22/99/34/820229934.db2.gz MXGYPUBOZWZPDP-ZDCRXTMVSA-N 2 2 258.318 -0.587 20 0 CBADLP [NH3+]C1CCN(c2nc(NC[C@H]3COCC[NH2+]3)cc[nH+]2)CC1 ZINC001170035824 820274756 /nfs/dbraw/zinc/27/47/56/820274756.db2.gz PRSBRACIATUQJT-LBPRGKRZSA-N 3 2 292.387 -0.196 20 0 CBADLP Cn1nnc(C[NH2+]CCCNC(=O)C[C@@H]2CC[N@H+](C)C2)n1 ZINC001171215336 820351099 /nfs/dbraw/zinc/35/10/99/820351099.db2.gz AEDHKSKTUDJEEM-NSHDSACASA-N 2 2 295.391 -0.852 20 0 CBADLP Cn1nnc(C[NH2+]CCCNC(=O)C[C@@H]2CC[N@@H+](C)C2)n1 ZINC001171215336 820351106 /nfs/dbraw/zinc/35/11/06/820351106.db2.gz AEDHKSKTUDJEEM-NSHDSACASA-N 2 2 295.391 -0.852 20 0 CBADLP Cn1nnc(C[NH2+]CCCNC(=O)C[C@H]2CC[N@H+](C)C2)n1 ZINC001171215335 820351351 /nfs/dbraw/zinc/35/13/51/820351351.db2.gz AEDHKSKTUDJEEM-LLVKDONJSA-N 2 2 295.391 -0.852 20 0 CBADLP Cn1nnc(C[NH2+]CCCNC(=O)C[C@H]2CC[N@@H+](C)C2)n1 ZINC001171215335 820351359 /nfs/dbraw/zinc/35/13/59/820351359.db2.gz AEDHKSKTUDJEEM-LLVKDONJSA-N 2 2 295.391 -0.852 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NCCC[NH2+][C@H]1CCCNC1=O ZINC001171238496 820353608 /nfs/dbraw/zinc/35/36/08/820353608.db2.gz QGQLNZIQZBEKCO-LBPRGKRZSA-N 2 2 293.371 -0.663 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NCCC[NH2+][C@@H]1CCN(C)C1=O ZINC001171243917 820354036 /nfs/dbraw/zinc/35/40/36/820354036.db2.gz GKVTUSKCUCFMRT-GFCCVEGCSA-N 2 2 293.371 -0.711 20 0 CBADLP COC[C@H](O)C[NH2+]CCCNC(=O)Cc1c[nH+]cn1C ZINC001171238975 820354146 /nfs/dbraw/zinc/35/41/46/820354146.db2.gz VRZTUSKDVLEEPN-GFCCVEGCSA-N 2 2 284.360 -0.934 20 0 CBADLP Cn1nnc(C[NH2+]CCCNC(=O)CCCC[NH+](C)C)n1 ZINC001171575160 820362295 /nfs/dbraw/zinc/36/22/95/820362295.db2.gz AXHIYKXRFNTDKK-UHFFFAOYSA-N 2 2 297.407 -0.462 20 0 CBADLP C[NH+]1CCN(C(=[NH2+])N[C@@H]2CCN3C(=O)CC[C@@H]3C2)CC1 ZINC001172172010 820387431 /nfs/dbraw/zinc/38/74/31/820387431.db2.gz QBMLITIIZBKTFH-VXGBXAGGSA-N 2 2 279.388 -0.088 20 0 CBADLP COC(=O)[C@@H]1C[C@H]([NH2+]CC2C[NH+](C)C2)C[C@@H]1C(=O)OC ZINC001173572248 820405314 /nfs/dbraw/zinc/40/53/14/820405314.db2.gz CYSWCRRVNBASOD-ZSBIGDGJSA-N 2 2 284.356 -0.122 20 0 CBADLP COC(=O)[C@@H]1C[C@@H]([NH2+]C2(C[NH3+])CC2)C[C@@H]1C(=O)OC ZINC001173572952 820406019 /nfs/dbraw/zinc/40/60/19/820406019.db2.gz OEHQKLYYCPVCSM-OWUUHHOZSA-N 2 2 270.329 -0.192 20 0 CBADLP [NH3+][C@@H]1COC[C@H]1[NH2+][C@@H]1CCC[C@H](n2ncnn2)C1 ZINC001173731639 820408966 /nfs/dbraw/zinc/40/89/66/820408966.db2.gz AWFHCIQKUPNPOF-LMLFDSFASA-N 2 2 252.322 -0.528 20 0 CBADLP [NH3+]C[C@@H]1C[N@@H+]([C@H]2CCC[C@@H](n3ncnn3)C2)CCO1 ZINC001173733079 820409018 /nfs/dbraw/zinc/40/90/18/820409018.db2.gz IATDEDYVAFWPLE-QJPTWQEYSA-N 2 2 266.349 -0.184 20 0 CBADLP [NH3+]C[C@@H]1C[N@H+]([C@H]2CCC[C@@H](n3ncnn3)C2)CCO1 ZINC001173733079 820409024 /nfs/dbraw/zinc/40/90/24/820409024.db2.gz IATDEDYVAFWPLE-QJPTWQEYSA-N 2 2 266.349 -0.184 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCCC[NH2+]CC(=O)N1CCC1 ZINC001174683955 820415361 /nfs/dbraw/zinc/41/53/61/820415361.db2.gz XFSSLHPULJEXDS-UHFFFAOYSA-N 2 2 293.371 -0.411 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCCC[NH2+]Cc1ncnn1C ZINC001174683956 820416097 /nfs/dbraw/zinc/41/60/97/820416097.db2.gz XHFOPHMFHXMIEG-UHFFFAOYSA-N 2 2 291.359 -0.315 20 0 CBADLP CNC(=O)C[NH2+]CCCNC(=O)CCc1c[nH+]cn1C ZINC001175002998 820419834 /nfs/dbraw/zinc/41/98/34/820419834.db2.gz NEXIJVBSELQIQW-UHFFFAOYSA-N 2 2 281.360 -0.805 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)NCCC[NH2+][C@@H]1CCNC1=O ZINC001175003981 820420248 /nfs/dbraw/zinc/42/02/48/820420248.db2.gz ZTMOBMYFOIDQMH-GFCCVEGCSA-N 2 2 293.371 -0.663 20 0 CBADLP COC[C@@H](O)C[NH2+]CCCNC(=O)CCc1c[nH+]cn1C ZINC001175002076 820420553 /nfs/dbraw/zinc/42/05/53/820420553.db2.gz BLFJAXQRCRKUHR-ZDUSSCGKSA-N 2 2 298.387 -0.544 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CCc1c[nH+]cn1C ZINC001175002615 820420570 /nfs/dbraw/zinc/42/05/70/820420570.db2.gz JXFPQPZEXYEQHF-LLVKDONJSA-N 2 2 295.387 -0.417 20 0 CBADLP C[C@H](CCCC[NH2+]CC(N)=O)NC(=O)Cc1c[nH]c[nH+]1 ZINC001175479687 820426689 /nfs/dbraw/zinc/42/66/89/820426689.db2.gz RXVRODUJEVWETK-SNVBAGLBSA-N 2 2 281.360 -0.298 20 0 CBADLP C[C@@H](CCCC[NH2+]CC(N)=O)NC(=O)Cc1c[nH+]cn1C ZINC001176167426 820442725 /nfs/dbraw/zinc/44/27/25/820442725.db2.gz ZKIFDYKRAJWSAM-NSHDSACASA-N 2 2 295.387 -0.288 20 0 CBADLP CNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001176829914 820459909 /nfs/dbraw/zinc/45/99/09/820459909.db2.gz UUPSABINOGBCQM-GFCCVEGCSA-N 2 2 295.387 -0.106 20 0 CBADLP CS(=O)(=O)N(CC[NH3+])C(=O)CCn1cc[nH+]c1 ZINC001176872205 820474356 /nfs/dbraw/zinc/47/43/56/820474356.db2.gz FMHGYUOJJMXZLW-UHFFFAOYSA-N 2 2 260.319 -0.980 20 0 CBADLP C[NH+](C)CCC(=O)N1CC[C@H]2OCC[N@H+](CCO)[C@@H]2C1 ZINC001177089850 820492509 /nfs/dbraw/zinc/49/25/09/820492509.db2.gz WEDOUGFVDMYWGX-CHWSQXEVSA-N 2 2 285.388 -0.768 20 0 CBADLP C[NH+](C)CCC(=O)N1CC[C@H]2OCC[N@@H+](CCO)[C@@H]2C1 ZINC001177089850 820492514 /nfs/dbraw/zinc/49/25/14/820492514.db2.gz WEDOUGFVDMYWGX-CHWSQXEVSA-N 2 2 285.388 -0.768 20 0 CBADLP O=C(CCCn1cc[nH+]c1)NCCC[NH2+][C@@H]1CCNC1=O ZINC001177351624 820505703 /nfs/dbraw/zinc/50/57/03/820505703.db2.gz KRGIWVJPQLEGGT-GFCCVEGCSA-N 2 2 293.371 -0.352 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CCCn1cc[nH+]c1 ZINC001177351540 820505854 /nfs/dbraw/zinc/50/58/54/820505854.db2.gz HKCUVBSHEDTCCK-GFCCVEGCSA-N 2 2 295.387 -0.106 20 0 CBADLP NC(=O)C[NH2+]CCCNC(=O)CCCn1cc[nH+]c1 ZINC001177351852 820506202 /nfs/dbraw/zinc/50/62/02/820506202.db2.gz VGWVATAVWBTZAB-UHFFFAOYSA-N 2 2 267.333 -0.756 20 0 CBADLP O=C(Cn1cc[nH+]c1)NCCC[NH2+]Cc1ncccn1 ZINC001177400346 820510347 /nfs/dbraw/zinc/51/03/47/820510347.db2.gz GOTXWCCBCVVIHP-UHFFFAOYSA-N 2 2 274.328 -0.031 20 0 CBADLP CC(C)NC(=O)C[NH2+]CCCNC(=O)Cn1cc[nH+]c1 ZINC001177400337 820510536 /nfs/dbraw/zinc/51/05/36/820510536.db2.gz GMWSXFBSVIODOB-UHFFFAOYSA-N 2 2 281.360 -0.496 20 0 CBADLP CCN(CC)C(=O)C[NH2+]CCCNC(=O)Cn1cc[nH+]c1 ZINC001177400331 820510561 /nfs/dbraw/zinc/51/05/61/820510561.db2.gz GKTTUVICJQOEJG-UHFFFAOYSA-N 2 2 295.387 -0.153 20 0 CBADLP CCCNC(=O)C[NH2+]CCCNC(=O)Cn1cc[nH+]c1 ZINC001177401234 820511383 /nfs/dbraw/zinc/51/13/83/820511383.db2.gz SSYGTYBDEIKPIO-UHFFFAOYSA-N 2 2 281.360 -0.495 20 0 CBADLP O=C(C[NH2+]CCCNC(=O)Cn1cc[nH+]c1)NC1CC1 ZINC001177401566 820511768 /nfs/dbraw/zinc/51/17/68/820511768.db2.gz VUVNCYVGXMQDSL-UHFFFAOYSA-N 2 2 279.344 -0.742 20 0 CBADLP C[C@@H]([NH2+]CCCNC(=O)Cn1cc[nH+]c1)c1nnnn1C ZINC001177404478 820511894 /nfs/dbraw/zinc/51/18/94/820511894.db2.gz BEXXKRXNJMNYMZ-SNVBAGLBSA-N 2 2 292.347 -0.736 20 0 CBADLP O=C(Cn1cc[nH+]c1)NCCC[NH2+]CC(=O)N1CCCC1 ZINC001177401608 820512215 /nfs/dbraw/zinc/51/22/15/820512215.db2.gz WTSXQQQVLUXSPW-UHFFFAOYSA-N 2 2 293.371 -0.399 20 0 CBADLP O=C(Cn1cc[nH+]c1)NCCC[NH2+]CCNC(=O)C1CC1 ZINC001177406542 820513086 /nfs/dbraw/zinc/51/30/86/820513086.db2.gz ZNVCBEIBCGDZNL-UHFFFAOYSA-N 2 2 293.371 -0.495 20 0 CBADLP CC[C@H]([NH2+]CCCNC(=O)Cn1cc[nH+]c1)C(N)=O ZINC001177411306 820513534 /nfs/dbraw/zinc/51/35/34/820513534.db2.gz DXZZBHCSNYKOQJ-JTQLQIEISA-N 2 2 267.333 -0.757 20 0 CBADLP CCOC(=O)CN(CC[NH3+])C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001178118697 820563453 /nfs/dbraw/zinc/56/34/53/820563453.db2.gz DJCVPCMXTYBFTD-LLVKDONJSA-N 2 2 294.355 -0.204 20 0 CBADLP CS(=O)(=O)N(CC[NH3+])C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001178100756 820563535 /nfs/dbraw/zinc/56/35/35/820563535.db2.gz DTSDPPJTNOTUMG-SECBINFHSA-N 2 2 286.357 -0.808 20 0 CBADLP N=c1cc(C[NH3+])ncn1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001178119535 820565286 /nfs/dbraw/zinc/56/52/86/820565286.db2.gz RKGRESWWHJNFRA-VIFPVBQESA-N 2 2 272.312 -0.079 20 0 CBADLP [NH3+]CC1(NC(=O)[C@H]2CCc3[nH+]ccn3C2)COC1 ZINC001178118736 820565543 /nfs/dbraw/zinc/56/55/43/820565543.db2.gz FNSURRDMESDTGC-VIFPVBQESA-N 2 2 250.302 -0.711 20 0 CBADLP CNC(=O)C[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@H]1C ZINC001179257984 820623249 /nfs/dbraw/zinc/62/32/49/820623249.db2.gz JSFBBYFMDCIMMB-RYUDHWBXSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@H]1[C@@H]([NH2+]CC(=O)N(C)C)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001179608356 820636569 /nfs/dbraw/zinc/63/65/69/820636569.db2.gz INHAKAJDWGZYPW-JQWIXIFHSA-N 2 2 293.371 -0.381 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@H]1C ZINC001179783272 820640685 /nfs/dbraw/zinc/64/06/85/820640685.db2.gz GLTUMVNATRZRAT-VWYCJHECSA-N 2 2 293.371 -0.334 20 0 CBADLP CNC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC001179925904 820645823 /nfs/dbraw/zinc/64/58/23/820645823.db2.gz WECNXWUBSAAIKE-JQWIXIFHSA-N 2 2 293.371 -0.712 20 0 CBADLP CC(C)[NH+]1CCN(CC(=O)NC[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001180349105 820671283 /nfs/dbraw/zinc/67/12/83/820671283.db2.gz FBSNGTBGPZRSJQ-CQSZACIVSA-N 2 2 298.431 -0.541 20 0 CBADLP CC(C)[NH+]1CCN(CC(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001180349105 820671287 /nfs/dbraw/zinc/67/12/87/820671287.db2.gz FBSNGTBGPZRSJQ-CQSZACIVSA-N 2 2 298.431 -0.541 20 0 CBADLP COCCn1c[nH+]cc1CNC(=O)C1(O)CC[NH+](C)CC1 ZINC001182035788 820859602 /nfs/dbraw/zinc/85/96/02/820859602.db2.gz DYZZTYFEBIUGHD-UHFFFAOYSA-N 2 2 296.371 -0.398 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)N1CC[C@@H]([NH2+]CCOCCO)C1 ZINC001183115544 820973590 /nfs/dbraw/zinc/97/35/90/820973590.db2.gz IIGMERJUOXKRAG-CYBMUJFWSA-N 2 2 296.371 -0.458 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)N1CC[C@@H]([NH2+]CCOCCO)C1 ZINC001183115544 820973604 /nfs/dbraw/zinc/97/36/04/820973604.db2.gz IIGMERJUOXKRAG-CYBMUJFWSA-N 2 2 296.371 -0.458 20 0 CBADLP COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001183116080 820975048 /nfs/dbraw/zinc/97/50/48/820975048.db2.gz MVOVXZHOOXEJQK-OLZOCXBDSA-N 2 2 296.371 -0.460 20 0 CBADLP COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001183116080 820975051 /nfs/dbraw/zinc/97/50/51/820975051.db2.gz MVOVXZHOOXEJQK-OLZOCXBDSA-N 2 2 296.371 -0.460 20 0 CBADLP CN1CC[N@H+](C)C[C@@H]1C(=O)NCCn1cc[nH+]c1 ZINC001185244625 821106080 /nfs/dbraw/zinc/10/60/80/821106080.db2.gz PSVMWSKTOOTUFJ-LLVKDONJSA-N 2 2 251.334 -0.755 20 0 CBADLP CN1CC[N@@H+](C)C[C@@H]1C(=O)NCCn1cc[nH+]c1 ZINC001185244625 821106083 /nfs/dbraw/zinc/10/60/83/821106083.db2.gz PSVMWSKTOOTUFJ-LLVKDONJSA-N 2 2 251.334 -0.755 20 0 CBADLP CN1CC[N@H+](C)C[C@@H]1C(=O)NCC1([NH+]2CCCC2)COC1 ZINC001185263257 821117513 /nfs/dbraw/zinc/11/75/13/821117513.db2.gz SYUFYIZEVMLROP-CYBMUJFWSA-N 2 2 296.415 -0.787 20 0 CBADLP CN1CC[N@@H+](C)C[C@@H]1C(=O)NCC1([NH+]2CCCC2)COC1 ZINC001185263257 821117519 /nfs/dbraw/zinc/11/75/19/821117519.db2.gz SYUFYIZEVMLROP-CYBMUJFWSA-N 2 2 296.415 -0.787 20 0 CBADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@H]1C[NH2+]CCO ZINC001185790118 821142756 /nfs/dbraw/zinc/14/27/56/821142756.db2.gz XVGLYZKGZFCVOU-OLZOCXBDSA-N 2 2 280.372 -0.050 20 0 CBADLP CN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001185919558 821145309 /nfs/dbraw/zinc/14/53/09/821145309.db2.gz VJJGHMPBJGUGHR-SNVBAGLBSA-N 2 2 279.344 -0.769 20 0 CBADLP Cc1[nH]c2c([nH+]1)CCN(C(=O)C[N@@H+]1CC[C@H](O)C1)CC2 ZINC001186035582 821150317 /nfs/dbraw/zinc/15/03/17/821150317.db2.gz LCWVKZYSFGSEPZ-NSHDSACASA-N 2 2 278.356 -0.288 20 0 CBADLP Cc1[nH]c2c([nH+]1)CCN(C(=O)C[N@H+]1CC[C@H](O)C1)CC2 ZINC001186035582 821150320 /nfs/dbraw/zinc/15/03/20/821150320.db2.gz LCWVKZYSFGSEPZ-NSHDSACASA-N 2 2 278.356 -0.288 20 0 CBADLP CN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001187092416 821211964 /nfs/dbraw/zinc/21/19/64/821211964.db2.gz RZZUQDVWXGRGCJ-LLVKDONJSA-N 2 2 293.371 -0.759 20 0 CBADLP CC[NH2+]CCN(CCO)C(=O)Cc1c[nH+]cn1C ZINC001279886710 828341267 /nfs/dbraw/zinc/34/12/67/828341267.db2.gz SQWQNGRZDPTYNJ-UHFFFAOYSA-N 2 2 254.334 -0.607 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N(CCO)CC[NH2+]C[C@@H]1CCOC1 ZINC001279838264 828340241 /nfs/dbraw/zinc/34/02/41/828340241.db2.gz JKGXTVKOFDIFMT-LBPRGKRZSA-N 2 2 296.371 -0.601 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H](CC[NH2+]CCO)C1 ZINC001280241021 828345981 /nfs/dbraw/zinc/34/59/81/828345981.db2.gz KFBAVXAWAQOWHY-LLVKDONJSA-N 2 2 266.345 -0.227 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001188369343 822332628 /nfs/dbraw/zinc/33/26/28/822332628.db2.gz VGUSMZUYZCSZQB-GHMZBOCLSA-N 2 2 279.344 -0.792 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)[C@H](C)[NH2+]CCO ZINC001282230224 828439249 /nfs/dbraw/zinc/43/92/49/828439249.db2.gz VDKGIRNUJGYIHX-DTWKUNHWSA-N 2 2 254.334 -0.264 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C1C[NH+](CCO)C1 ZINC001282736621 828456392 /nfs/dbraw/zinc/45/63/92/828456392.db2.gz FJKMIEVQDQNKDU-VIFPVBQESA-N 2 2 266.345 -0.311 20 0 CBADLP C[C@@H](O)C[NH2+][C@H](C)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001283721726 828535964 /nfs/dbraw/zinc/53/59/64/828535964.db2.gz FAHKFSVRLUEOMC-GHMZBOCLSA-N 2 2 254.334 -0.300 20 0 CBADLP Cc1cn(C(C)(C)C(=O)NC[C@H](CO)[NH2+]CCCO)c[nH+]1 ZINC001283770217 828545880 /nfs/dbraw/zinc/54/58/80/828545880.db2.gz AJPKWFFTKADYTQ-GFCCVEGCSA-N 2 2 298.387 -0.624 20 0 CBADLP CCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001192014732 823938300 /nfs/dbraw/zinc/93/83/00/823938300.db2.gz SWFIEEDLBBNMLA-MCIONIFRSA-N 2 2 299.415 -0.332 20 0 CBADLP CCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001192014732 823938306 /nfs/dbraw/zinc/93/83/06/823938306.db2.gz SWFIEEDLBBNMLA-MCIONIFRSA-N 2 2 299.415 -0.332 20 0 CBADLP CCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001192014732 823938310 /nfs/dbraw/zinc/93/83/10/823938310.db2.gz SWFIEEDLBBNMLA-MCIONIFRSA-N 2 2 299.415 -0.332 20 0 CBADLP CCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001192014732 823938314 /nfs/dbraw/zinc/93/83/14/823938314.db2.gz SWFIEEDLBBNMLA-MCIONIFRSA-N 2 2 299.415 -0.332 20 0 CBADLP CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001195128528 824104551 /nfs/dbraw/zinc/10/45/51/824104551.db2.gz KKADHTMTJIMIDT-CHWSQXEVSA-N 2 2 296.371 -0.529 20 0 CBADLP CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001195128528 824104554 /nfs/dbraw/zinc/10/45/54/824104554.db2.gz KKADHTMTJIMIDT-CHWSQXEVSA-N 2 2 296.371 -0.529 20 0 CBADLP CC(C)NC(=O)C[N@@H+]1CCCN(C(=O)CC[NH+](C)C)CC1 ZINC001197044217 824177265 /nfs/dbraw/zinc/17/72/65/824177265.db2.gz PAKBQXFMUVVLAX-UHFFFAOYSA-N 2 2 298.431 -0.003 20 0 CBADLP CC(C)NC(=O)C[N@H+]1CCCN(C(=O)CC[NH+](C)C)CC1 ZINC001197044217 824177269 /nfs/dbraw/zinc/17/72/69/824177269.db2.gz PAKBQXFMUVVLAX-UHFFFAOYSA-N 2 2 298.431 -0.003 20 0 CBADLP CCC[N@H+](C)CCC(=O)N1CCC[NH+](CC(N)=O)CC1 ZINC001197907685 824208424 /nfs/dbraw/zinc/20/84/24/824208424.db2.gz HHBBERXQZSCOBV-UHFFFAOYSA-N 2 2 284.404 -0.262 20 0 CBADLP CCC[N@@H+](C)CCC(=O)N1CCC[NH+](CC(N)=O)CC1 ZINC001197907685 824208428 /nfs/dbraw/zinc/20/84/28/824208428.db2.gz HHBBERXQZSCOBV-UHFFFAOYSA-N 2 2 284.404 -0.262 20 0 CBADLP CCC[NH+](C)CCC(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC001197907685 824208433 /nfs/dbraw/zinc/20/84/33/824208433.db2.gz HHBBERXQZSCOBV-UHFFFAOYSA-N 2 2 284.404 -0.262 20 0 CBADLP CCC[NH+](C)CCC(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC001197907685 824208439 /nfs/dbraw/zinc/20/84/39/824208439.db2.gz HHBBERXQZSCOBV-UHFFFAOYSA-N 2 2 284.404 -0.262 20 0 CBADLP CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001198673002 824235855 /nfs/dbraw/zinc/23/58/55/824235855.db2.gz WDTILVLQJMRKLN-CHWSQXEVSA-N 2 2 285.388 -0.720 20 0 CBADLP CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001198673002 824235861 /nfs/dbraw/zinc/23/58/61/824235861.db2.gz WDTILVLQJMRKLN-CHWSQXEVSA-N 2 2 285.388 -0.720 20 0 CBADLP S=C(NCCC[NH+]1CCOCC1)N1CC[N@@H+]2CC[C@H]2C1 ZINC001199947811 824297092 /nfs/dbraw/zinc/29/70/92/824297092.db2.gz QGZOONQVVJORFM-ZDUSSCGKSA-N 2 2 298.456 -0.027 20 0 CBADLP S=C(NCCC[NH+]1CCOCC1)N1CC[N@H+]2CC[C@H]2C1 ZINC001199947811 824297096 /nfs/dbraw/zinc/29/70/96/824297096.db2.gz QGZOONQVVJORFM-ZDUSSCGKSA-N 2 2 298.456 -0.027 20 0 CBADLP C[NH+]1CC(CNC(=S)NCCC[NH+]2CCOCC2)C1 ZINC001199955756 824298921 /nfs/dbraw/zinc/29/89/21/824298921.db2.gz AVGBMYKEJAMEDT-UHFFFAOYSA-N 2 2 286.445 -0.266 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CCCO[C@@H](C[NH2+]CCO)C1 ZINC001201493766 824333650 /nfs/dbraw/zinc/33/36/50/824333650.db2.gz JXIBMONXLVFAIJ-LBPRGKRZSA-N 2 2 282.344 -0.848 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N1CCCO[C@@H](C[NH2+]CCCO)C1 ZINC001201726144 824335018 /nfs/dbraw/zinc/33/50/18/824335018.db2.gz HWBXAHYSGKFCIR-LBPRGKRZSA-N 2 2 296.371 -0.458 20 0 CBADLP CNC(=O)C[NH2+]C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001201893223 824337437 /nfs/dbraw/zinc/33/74/37/824337437.db2.gz RPKLSEAKYZKXLI-UHFFFAOYSA-N 2 2 293.371 -0.400 20 0 CBADLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1cn(C)c(=O)n(C)c1=O ZINC001205076408 824373962 /nfs/dbraw/zinc/37/39/62/824373962.db2.gz TZKYRYOPJFITAT-ONGXEEELSA-N 2 2 266.345 -0.604 20 0 CBADLP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1cn(C)c(=O)n(C)c1=O ZINC001205076408 824373966 /nfs/dbraw/zinc/37/39/66/824373966.db2.gz TZKYRYOPJFITAT-ONGXEEELSA-N 2 2 266.345 -0.604 20 0 CBADLP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001205946055 824389822 /nfs/dbraw/zinc/38/98/22/824389822.db2.gz HUFOBWRHLKVROA-LNFKQOIKSA-N 3 2 263.332 -0.129 20 0 CBADLP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001205946055 824389829 /nfs/dbraw/zinc/38/98/29/824389829.db2.gz HUFOBWRHLKVROA-LNFKQOIKSA-N 3 2 263.332 -0.129 20 0 CBADLP NC(=O)COc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)cc1 ZINC001205953329 824389875 /nfs/dbraw/zinc/38/98/75/824389875.db2.gz UORQRDVUWMSHQN-CHWSQXEVSA-N 2 2 279.340 -0.555 20 0 CBADLP NC(=O)COc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)cc1 ZINC001205953329 824389880 /nfs/dbraw/zinc/38/98/80/824389880.db2.gz UORQRDVUWMSHQN-CHWSQXEVSA-N 2 2 279.340 -0.555 20 0 CBADLP C[C@@H]1C[NH2+]CC[N@H+](C[C@@H]2O[C@H]3OC(C)(C)O[C@H]3[C@@H]2O)C1 ZINC001206269709 824395893 /nfs/dbraw/zinc/39/58/93/824395893.db2.gz SKPKFOQOVIYRLD-FHUSYTEZSA-N 2 2 286.372 -0.235 20 0 CBADLP C[C@@H]1C[NH2+]CC[N@@H+](C[C@@H]2O[C@H]3OC(C)(C)O[C@H]3[C@@H]2O)C1 ZINC001206269709 824395895 /nfs/dbraw/zinc/39/58/95/824395895.db2.gz SKPKFOQOVIYRLD-FHUSYTEZSA-N 2 2 286.372 -0.235 20 0 CBADLP COC(=O)c1cc(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)ccc1O ZINC001206475854 824400696 /nfs/dbraw/zinc/40/06/96/824400696.db2.gz PSKBUDDMOBRMPC-GXFFZTMASA-N 2 2 280.324 -0.070 20 0 CBADLP COC(=O)c1cc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)ccc1O ZINC001206475854 824400698 /nfs/dbraw/zinc/40/06/98/824400698.db2.gz PSKBUDDMOBRMPC-GXFFZTMASA-N 2 2 280.324 -0.070 20 0 CBADLP COC(=O)c1cc(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cn1C ZINC001206467948 824401054 /nfs/dbraw/zinc/40/10/54/824401054.db2.gz DXDIYPFYZYMLFE-CMPLNLGQSA-N 2 2 267.329 -0.437 20 0 CBADLP COC(=O)c1cc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cn1C ZINC001206467948 824401055 /nfs/dbraw/zinc/40/10/55/824401055.db2.gz DXDIYPFYZYMLFE-CMPLNLGQSA-N 2 2 267.329 -0.437 20 0 CBADLP CS(=O)(=O)Nc1ccccc1C[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206530244 824401679 /nfs/dbraw/zinc/40/16/79/824401679.db2.gz FDNWPQBFACDQPQ-AAEUAGOBSA-N 2 2 299.396 -0.191 20 0 CBADLP CS(=O)(=O)Nc1ccccc1C[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206530244 824401681 /nfs/dbraw/zinc/40/16/81/824401681.db2.gz FDNWPQBFACDQPQ-AAEUAGOBSA-N 2 2 299.396 -0.191 20 0 CBADLP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206511809 824401809 /nfs/dbraw/zinc/40/18/09/824401809.db2.gz CCNQUQABKPVGPQ-YTWAJWBKSA-N 3 2 263.332 -0.271 20 0 CBADLP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206511809 824401811 /nfs/dbraw/zinc/40/18/11/824401811.db2.gz CCNQUQABKPVGPQ-YTWAJWBKSA-N 3 2 263.332 -0.271 20 0 CBADLP CN1CC[NH+](CCCOC[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001206591395 824403958 /nfs/dbraw/zinc/40/39/58/824403958.db2.gz TZWVVGAXIMPRPQ-AWEZNQCLSA-N 2 2 271.405 -0.029 20 0 CBADLP CN1CC[NH+](CCCOC[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001206591395 824403962 /nfs/dbraw/zinc/40/39/62/824403962.db2.gz TZWVVGAXIMPRPQ-AWEZNQCLSA-N 2 2 271.405 -0.029 20 0 CBADLP C[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001206919367 824410833 /nfs/dbraw/zinc/41/08/33/824410833.db2.gz QUXMQCYTDPHKNR-GHMZBOCLSA-N 2 2 266.345 -0.229 20 0 CBADLP C[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001206919367 824410840 /nfs/dbraw/zinc/41/08/40/824410840.db2.gz QUXMQCYTDPHKNR-GHMZBOCLSA-N 2 2 266.345 -0.229 20 0 CBADLP C[C@@H]([NH2+]CC1CCN(C(=O)Cn2cc[nH+]c2)CC1)C(N)=O ZINC001206970992 824415103 /nfs/dbraw/zinc/41/51/03/824415103.db2.gz TVICEFCDXRWNQL-LLVKDONJSA-N 2 2 293.371 -0.415 20 0 CBADLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C)[NH+](C)C ZINC001207649737 824433127 /nfs/dbraw/zinc/43/31/27/824433127.db2.gz FDCHCDDJUUUXAU-WZRBSPASSA-N 2 2 284.404 -0.506 20 0 CBADLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C)[NH+](C)C ZINC001207649737 824433130 /nfs/dbraw/zinc/43/31/30/824433130.db2.gz FDCHCDDJUUUXAU-WZRBSPASSA-N 2 2 284.404 -0.506 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001208250615 824448766 /nfs/dbraw/zinc/44/87/66/824448766.db2.gz SVCRMKJUUBEVBY-IJLUTSLNSA-N 2 2 293.371 -0.417 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001208250615 824448770 /nfs/dbraw/zinc/44/87/70/824448770.db2.gz SVCRMKJUUBEVBY-IJLUTSLNSA-N 2 2 293.371 -0.417 20 0 CBADLP CNC(=O)C[NH2+][C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001208299027 824449638 /nfs/dbraw/zinc/44/96/38/824449638.db2.gz HPWSDJDYWZARTL-GFCCVEGCSA-N 2 2 293.371 -0.331 20 0 CBADLP CNC(=O)C[NH2+][C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001208299027 824449639 /nfs/dbraw/zinc/44/96/39/824449639.db2.gz HPWSDJDYWZARTL-GFCCVEGCSA-N 2 2 293.371 -0.331 20 0 CBADLP C[C@@H]1C[N@H+](Cc2cn(C)nn2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208491885 824454756 /nfs/dbraw/zinc/45/47/56/824454756.db2.gz AGQSDCKPEWFLBF-DGCLKSJQSA-N 2 2 294.403 -0.297 20 0 CBADLP C[C@@H]1C[N@@H+](Cc2cn(C)nn2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208491885 824454758 /nfs/dbraw/zinc/45/47/58/824454758.db2.gz AGQSDCKPEWFLBF-DGCLKSJQSA-N 2 2 294.403 -0.297 20 0 CBADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C)[NH+](C)C ZINC001208698583 824456690 /nfs/dbraw/zinc/45/66/90/824456690.db2.gz FOIBZOCBTWQIGW-MXWKQRLJSA-N 2 2 270.377 -0.752 20 0 CBADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C)[NH+](C)C ZINC001208698583 824456692 /nfs/dbraw/zinc/45/66/92/824456692.db2.gz FOIBZOCBTWQIGW-MXWKQRLJSA-N 2 2 270.377 -0.752 20 0 CBADLP COCC[N@@H+]1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001209210018 824463443 /nfs/dbraw/zinc/46/34/43/824463443.db2.gz NKKXCBKLARNRLH-UHFFFAOYSA-N 2 2 296.371 -0.030 20 0 CBADLP COCC[N@H+]1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001209210018 824463450 /nfs/dbraw/zinc/46/34/50/824463450.db2.gz NKKXCBKLARNRLH-UHFFFAOYSA-N 2 2 296.371 -0.030 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@H]([NH2+]CCCO)C1 ZINC001209838042 824476100 /nfs/dbraw/zinc/47/61/00/824476100.db2.gz VXDINSJBBUHPIH-NSHDSACASA-N 2 2 266.345 -0.085 20 0 CBADLP COC[C@H](O)C[NH2+][C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001209838017 824476403 /nfs/dbraw/zinc/47/64/03/824476403.db2.gz VMRQAZHRUBZVAP-DGCLKSJQSA-N 2 2 296.371 -0.460 20 0 CBADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(N)=O)C[C@H]1C ZINC001210514412 824479886 /nfs/dbraw/zinc/47/98/86/824479886.db2.gz SMYMXEJBNDJVQV-GHMZBOCLSA-N 2 2 270.377 -0.750 20 0 CBADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(N)=O)C[C@H]1C ZINC001210514412 824479888 /nfs/dbraw/zinc/47/98/88/824479888.db2.gz SMYMXEJBNDJVQV-GHMZBOCLSA-N 2 2 270.377 -0.750 20 0 CBADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C ZINC001210514412 824479889 /nfs/dbraw/zinc/47/98/89/824479889.db2.gz SMYMXEJBNDJVQV-GHMZBOCLSA-N 2 2 270.377 -0.750 20 0 CBADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C ZINC001210514412 824479892 /nfs/dbraw/zinc/47/98/92/824479892.db2.gz SMYMXEJBNDJVQV-GHMZBOCLSA-N 2 2 270.377 -0.750 20 0 CBADLP COCC[N@@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@H](OC)C1 ZINC001212199338 824504166 /nfs/dbraw/zinc/50/41/66/824504166.db2.gz VCNGGDYHFOMMCH-VXGBXAGGSA-N 2 2 296.371 -0.196 20 0 CBADLP COCC[N@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@H](OC)C1 ZINC001212199338 824504170 /nfs/dbraw/zinc/50/41/70/824504170.db2.gz VCNGGDYHFOMMCH-VXGBXAGGSA-N 2 2 296.371 -0.196 20 0 CBADLP CNC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001215680534 824543695 /nfs/dbraw/zinc/54/36/95/824543695.db2.gz AOUCERGBMSOJJP-MWLCHTKSSA-N 2 2 279.344 -0.865 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001216064666 824545530 /nfs/dbraw/zinc/54/55/30/824545530.db2.gz DVNJCZRXMQOKPS-GMTAPVOTSA-N 2 2 293.371 -0.477 20 0 CBADLP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001216999973 824550186 /nfs/dbraw/zinc/55/01/86/824550186.db2.gz GBDUWNPXAKCQLY-VXGBXAGGSA-N 2 2 293.371 -0.544 20 0 CBADLP CCCc1nnc(CNC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)o1 ZINC001217692859 824557989 /nfs/dbraw/zinc/55/79/89/824557989.db2.gz DBTCDILWQAYNMJ-VIFPVBQESA-N 2 2 278.316 -0.069 20 0 CBADLP [NH3+][C@@H](CN1CCC([NH3+])CC1)c1nnc([C@H]2CCOC2)o1 ZINC001217757685 824561005 /nfs/dbraw/zinc/56/10/05/824561005.db2.gz QYGKCVGXRJWTKU-ONGXEEELSA-N 2 2 281.360 -0.004 20 0 CBADLP COc1nn(C)cc1NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001218505693 824573739 /nfs/dbraw/zinc/57/37/39/824573739.db2.gz YZJKHQQHRUUKQO-QMMMGPOBSA-N 2 2 264.289 -0.340 20 0 CBADLP CCOC(=O)c1c[nH]c(NC(=O)[C@@H]([NH3+])CC[NH3+])n1 ZINC001218528356 824583321 /nfs/dbraw/zinc/58/33/21/824583321.db2.gz SIRWAJJMDBJUBJ-LURJTMIESA-N 2 2 255.278 -0.799 20 0 CBADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1nc2c(s1)C[C@H]([NH3+])CC2 ZINC001218532710 824585088 /nfs/dbraw/zinc/58/50/88/824585088.db2.gz JEGHBADZBASDOY-RQJHMYQMSA-N 3 2 269.374 -0.426 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC001218533133 824585451 /nfs/dbraw/zinc/58/54/51/824585451.db2.gz KDOAUQONMGDSEX-FXQIFTODSA-N 3 2 281.385 -0.556 20 0 CBADLP Cc1[nH]nc2ncnc(NC(=O)C[NH2+]C3CC[NH2+]CC3)c12 ZINC001218529867 824586243 /nfs/dbraw/zinc/58/62/43/824586243.db2.gz NEPMPGBWCJMCHL-UHFFFAOYSA-N 2 2 289.343 -0.059 20 0 CBADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1ccc(N2CCOCC2)nc1 ZINC001218551150 824589036 /nfs/dbraw/zinc/58/90/36/824589036.db2.gz GBPKIRQGBKTMJB-NSHDSACASA-N 2 2 279.344 -0.467 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1noc2nccnc12 ZINC001218574083 824596585 /nfs/dbraw/zinc/59/65/85/824596585.db2.gz PWTFIFAXQODTDR-QMMMGPOBSA-N 2 2 287.283 -0.140 20 0 CBADLP C[NH+]1CCN(c2ncc(NC(=O)[C@@H]3COC[NH2+]3)cn2)CC1 ZINC001218579613 824599597 /nfs/dbraw/zinc/59/95/97/824599597.db2.gz HJPADJPQLHOAMZ-NSHDSACASA-N 2 2 292.343 -0.887 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2cccnc2OC2COC2)C1 ZINC001218619394 824604302 /nfs/dbraw/zinc/60/43/02/824604302.db2.gz DEWOZYBOSDGRHJ-KCJUWKMLSA-N 2 2 278.312 -0.513 20 0 CBADLP [NH3+]C1(C(=O)Nc2cccnc2OC2COC2)CC[NH2+]CC1 ZINC001218619110 824604262 /nfs/dbraw/zinc/60/42/62/824604262.db2.gz YHIPHZIILVGTEB-UHFFFAOYSA-N 2 2 292.339 -0.121 20 0 CBADLP CCOc1cnc(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)cn1 ZINC001218619716 824604404 /nfs/dbraw/zinc/60/44/04/824604404.db2.gz FGEJKMBDWHVMRW-SFYZADRCSA-N 2 2 251.290 -0.497 20 0 CBADLP COC(=O)c1scnc1NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001218623260 824607730 /nfs/dbraw/zinc/60/77/30/824607730.db2.gz FJZNAUIJDNPJMT-RITPCOANSA-N 2 2 270.314 -0.443 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cn[nH]c(=O)c1Cl ZINC001218631302 824608288 /nfs/dbraw/zinc/60/82/88/824608288.db2.gz GMMPIHRSOAUOFF-WHFBIAKZSA-N 2 2 257.681 -0.679 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2cn[nH]c(=O)c2Cl)C1 ZINC001218631351 824608392 /nfs/dbraw/zinc/60/83/92/824608392.db2.gz HLDUQDJVRPXBHJ-UHNVWZDZSA-N 2 2 257.681 -0.537 20 0 CBADLP Cc1cc(C)n2nc(NC(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)cc2n1 ZINC001218628756 824608708 /nfs/dbraw/zinc/60/87/08/824608708.db2.gz PHOGANIIIUMDGN-ZJUUUORDSA-N 2 2 274.328 -0.026 20 0 CBADLP Nc1cc(Cl)cnc1NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001218628997 824609211 /nfs/dbraw/zinc/60/92/11/824609211.db2.gz NTBKBZJPPGDWIM-SVRRBLITSA-N 2 2 255.709 -0.055 20 0 CBADLP [NH3+]C1(C(=O)Nc2cn[nH]c(=O)c2Cl)CC[NH2+]CC1 ZINC001218633333 824610249 /nfs/dbraw/zinc/61/02/49/824610249.db2.gz QZBGGIJRLUXOLI-UHFFFAOYSA-N 2 2 271.708 -0.145 20 0 CBADLP CCOC(=O)c1cc(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)n(C)n1 ZINC001218637255 824611306 /nfs/dbraw/zinc/61/13/06/824611306.db2.gz UGTMASAWBFVTGT-SFYZADRCSA-N 2 2 281.316 -0.776 20 0 CBADLP CC(=O)Nc1cc(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)ccn1 ZINC001218649721 824614291 /nfs/dbraw/zinc/61/42/91/824614291.db2.gz IAYFZGLITAQDEB-SCZZXKLOSA-N 2 2 263.301 -0.332 20 0 CBADLP Cc1nc(Cl)c(N)c(=N)n1C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001218642690 824614387 /nfs/dbraw/zinc/61/43/87/824614387.db2.gz YSCKEHMYAOQMJT-ZETCQYMHSA-N 2 2 295.734 -0.160 20 0 CBADLP COc1ncnc(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)c1OC ZINC001218652524 824615736 /nfs/dbraw/zinc/61/57/36/824615736.db2.gz GVNLVFDHLZREJS-RQJHMYQMSA-N 2 2 267.289 -0.879 20 0 CBADLP COC(=O)c1cc2cc(NC(=O)[C@@H]([NH3+])CC[NH3+])c[nH]c-2n1 ZINC001218670494 824619730 /nfs/dbraw/zinc/61/97/30/824619730.db2.gz JTNCMHTZSAFBNP-VIFPVBQESA-N 2 2 291.311 -0.036 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1nc(N)cnc1Cl ZINC001218672195 824620208 /nfs/dbraw/zinc/62/02/08/824620208.db2.gz MSJUUXURPPFNAX-ZETCQYMHSA-N 2 2 295.734 -0.046 20 0 CBADLP Nc1cnc(Cl)c(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])n1 ZINC001218674200 824620875 /nfs/dbraw/zinc/62/08/75/824620875.db2.gz UUUAZSPTFYTJMT-WHFBIAKZSA-N 2 2 256.697 -0.803 20 0 CBADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)Nc2cc([C@H]3CCC[NH2+]3)no2)C1 ZINC001218713937 824627350 /nfs/dbraw/zinc/62/73/50/824627350.db2.gz VADRNDBXVUNUTI-XKSSXDPKSA-N 3 2 265.317 -0.273 20 0 CBADLP COC[C@H](C)Oc1cc(NC(=O)[C@@H]([NH3+])CC[NH3+])[nH]n1 ZINC001218719525 824628662 /nfs/dbraw/zinc/62/86/62/824628662.db2.gz PWXKZPIXISHWIO-YUMQZZPRSA-N 2 2 271.321 -0.562 20 0 CBADLP CCc1cc2ncc(NC(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)cn2n1 ZINC001218734120 824630856 /nfs/dbraw/zinc/63/08/56/824630856.db2.gz QZOJYEOJXFCBMU-KCJUWKMLSA-N 2 2 274.328 -0.081 20 0 CBADLP CN=c1c(N)cc(Cl)nn1C(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001218742234 824631340 /nfs/dbraw/zinc/63/13/40/824631340.db2.gz BGIHDNRAAIWJHV-MRVPVSSYSA-N 2 2 295.734 -0.418 20 0 CBADLP Cc1cnn(CCO)c1NC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001218753622 824633975 /nfs/dbraw/zinc/63/39/75/824633975.db2.gz JVVMSOUUFGJOOA-UHFFFAOYSA-N 2 2 281.360 -0.536 20 0 CBADLP COC(=O)c1c[nH]c2nc[nH+]c(NC(=O)C[C@H](O)C[NH3+])c12 ZINC001218772610 824637331 /nfs/dbraw/zinc/63/73/31/824637331.db2.gz QTANBFJNXGYOEZ-LURJTMIESA-N 2 2 293.283 -0.607 20 0 CBADLP COC(=O)/C=C/c1ccc(NC(=O)[C@@H]([NH3+])CC[NH3+])nc1 ZINC001218802022 824639864 /nfs/dbraw/zinc/63/98/64/824639864.db2.gz KQFJQCHHSNMSNW-GFAPAMAISA-N 2 2 278.312 -0.118 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1nnccc1C(F)(F)F ZINC001218800045 824640915 /nfs/dbraw/zinc/64/09/15/824640915.db2.gz FYCAOBCEGANPDD-FSPLSTOPSA-N 2 2 275.234 -0.019 20 0 CBADLP COC(=O)Cc1ccc(O)c(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)c1 ZINC001218870246 824644084 /nfs/dbraw/zinc/64/40/84/824644084.db2.gz VUDFRDFFJBKIHU-KOLCDFICSA-N 2 2 293.323 -0.265 20 0 CBADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1ccc(C[C@H]2COC(=O)N2)cc1 ZINC001218900130 824645626 /nfs/dbraw/zinc/64/56/26/824645626.db2.gz BPZJKQDMRWJIEM-RYUDHWBXSA-N 2 2 292.339 -0.048 20 0 CBADLP CS(=O)(=O)N(C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])c1cccc(N)c1 ZINC001218887083 824645798 /nfs/dbraw/zinc/64/57/98/824645798.db2.gz FJXMWWNTXOFCBX-QWRGUYRKSA-N 2 2 298.368 -0.892 20 0 CBADLP CN(C(=O)[C@@H](N)C[NH+]1CCC([NH3+])CC1)c1ccccc1N ZINC001218883128 824645932 /nfs/dbraw/zinc/64/59/32/824645932.db2.gz IRGBFZOXFOMBEP-ZDUSSCGKSA-N 2 2 291.399 -0.018 20 0 CBADLP Nc1ccc(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)c(CCO)c1 ZINC001218920131 824648417 /nfs/dbraw/zinc/64/84/17/824648417.db2.gz UOXGIACNXUPHDE-KYOSRNDESA-N 2 2 290.367 -0.036 20 0 CBADLP NC(=O)c1ccc(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])cc1Cl ZINC001218951334 824649024 /nfs/dbraw/zinc/64/90/24/824649024.db2.gz FXUPIEOCIKDSOU-WPRPVWTQSA-N 2 2 282.731 -0.076 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2cccc(-n3nccn3)c2)C1 ZINC001218984350 824651336 /nfs/dbraw/zinc/65/13/36/824651336.db2.gz NBUNNLDJTKZUFK-SKDRFNHKSA-N 2 2 272.312 -0.105 20 0 CBADLP COC(=O)c1cc(O)c(F)cc1NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001219080913 824657746 /nfs/dbraw/zinc/65/77/46/824657746.db2.gz IZUXDGJWGOLWPA-LDWIPMOCSA-N 2 2 297.286 -0.054 20 0 CBADLP CN1Cc2cccc(NC(=O)[C@@H]([NH3+])CC[NH3+])c2C1=O ZINC001219364548 824698516 /nfs/dbraw/zinc/69/85/16/824698516.db2.gz LHPDYAMEWAHNFF-VIFPVBQESA-N 2 2 262.313 -0.113 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cccc2c1[C@@H]1C[NH2+]C[C@H]1O2 ZINC001219540377 824726056 /nfs/dbraw/zinc/72/60/56/824726056.db2.gz GDABLNALCRCVPM-MPXOCVNLSA-N 3 2 288.351 -0.380 20 0 CBADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@@H+](CCCF)C[C@@H]1O ZINC001219543911 824726178 /nfs/dbraw/zinc/72/61/78/824726178.db2.gz WSDGZXOREXOAIV-MNOVXSKESA-N 2 2 284.335 -0.137 20 0 CBADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@H+](CCCF)C[C@@H]1O ZINC001219543911 824726182 /nfs/dbraw/zinc/72/61/82/824726182.db2.gz WSDGZXOREXOAIV-MNOVXSKESA-N 2 2 284.335 -0.137 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCc2ccc3c(c2)OCO3)C1 ZINC001219552227 824726524 /nfs/dbraw/zinc/72/65/24/824726524.db2.gz WXNGRICAGWYJLC-ZJUUUORDSA-N 2 2 263.297 -0.279 20 0 CBADLP CC[NH+](CC)CCNC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001219553838 824727127 /nfs/dbraw/zinc/72/71/27/824727127.db2.gz NUIBSCYAFLSPFU-LBPRGKRZSA-N 3 2 267.377 -0.252 20 0 CBADLP O=C(NCc1ccc2c(c1)OCO2)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001219551622 824727235 /nfs/dbraw/zinc/72/72/35/824727235.db2.gz DTUKGTJUYGIHLU-NHYWBVRUSA-N 2 2 289.335 -0.017 20 0 CBADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)NCC(F)(F)F ZINC001219554254 824727919 /nfs/dbraw/zinc/72/79/19/824727919.db2.gz YNOIUACZAMFUOZ-QMMMGPOBSA-N 2 2 268.283 -0.585 20 0 CBADLP CC[NH+](CC)CCNC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001219555774 824729067 /nfs/dbraw/zinc/72/90/67/824729067.db2.gz RPGCJFZTIXYUFH-YPMHNXCESA-N 3 2 254.378 -0.604 20 0 CBADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)NCCn2ccnn2)cc1 ZINC001219565725 824732568 /nfs/dbraw/zinc/73/25/68/824732568.db2.gz NIXQCXPVSYJIJW-GFCCVEGCSA-N 2 2 274.328 -0.333 20 0 CBADLP Cc1cc(C)n(CCNC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)n1 ZINC001219595712 824739602 /nfs/dbraw/zinc/73/96/02/824739602.db2.gz LONLNKQWWLSFBX-LBPRGKRZSA-N 2 2 276.344 -0.091 20 0 CBADLP Cc1cccn2c(CNC(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)nnc12 ZINC001219597691 824740541 /nfs/dbraw/zinc/74/05/41/824740541.db2.gz QQKMZSPERKHAJN-ZJUUUORDSA-N 2 2 274.328 -0.657 20 0 CBADLP Cc1cnc(CCNC(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)nc1 ZINC001219600831 824741002 /nfs/dbraw/zinc/74/10/02/824741002.db2.gz HGYYCCCMINHWHY-LBPRGKRZSA-N 2 2 288.355 -0.253 20 0 CBADLP Cc1ccnc(CNC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)n1 ZINC001219599345 824741501 /nfs/dbraw/zinc/74/15/01/824741501.db2.gz ACVZQEATRXHUGC-GARJFASQSA-N 2 2 261.329 -0.649 20 0 CBADLP O=C(N[C@]1(C(F)(F)F)CC[NH2+]C1)C1(F)C[NH2+]C1 ZINC001219610215 824853890 /nfs/dbraw/zinc/85/38/90/824853890.db2.gz LMHACANMYXQUOO-MRVPVSSYSA-N 2 2 255.215 -0.292 20 0 CBADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219608091 824852951 /nfs/dbraw/zinc/85/29/51/824852951.db2.gz OOMGWLOMNBQYDF-WPRPVWTQSA-N 3 2 291.277 -0.310 20 0 CBADLP Cc1nocc1CNC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001219608027 824853067 /nfs/dbraw/zinc/85/30/67/824853067.db2.gz MHPUVXSDOIBWBP-PWSUYJOCSA-N 2 2 250.302 -0.449 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N[C@]2(C(F)(F)F)CC[NH2+]C2)C1 ZINC001219611196 824854094 /nfs/dbraw/zinc/85/40/94/824854094.db2.gz WZXDHNKKBUNVSU-BKPPORCPSA-N 3 2 266.267 -0.914 20 0 CBADLP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@H]1CCc2[nH+]ccn2C1 ZINC001219616051 824856425 /nfs/dbraw/zinc/85/64/25/824856425.db2.gz NDPAFXZESCXYPZ-COPLHBTASA-N 2 2 296.346 -0.376 20 0 CBADLP Cn1c[nH+]c(CCNC(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)c1 ZINC001219634101 824867938 /nfs/dbraw/zinc/86/79/38/824867938.db2.gz NTUMRTZLQUBJGD-ZDUSSCGKSA-N 3 2 291.399 -0.047 20 0 CBADLP C[C@H]1OCC[C@H]1CNC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001219633861 824868417 /nfs/dbraw/zinc/86/84/17/824868417.db2.gz GLFXASPMFYCRGH-WTPMCQDGSA-N 2 2 253.346 -0.523 20 0 CBADLP Cn1c[nH+]c(CCNC(=O)[C@@H]2C[C@@H]3CC[NH2+]C[C@H]3O2)c1 ZINC001219634078 824868887 /nfs/dbraw/zinc/86/88/87/824868887.db2.gz MSDWVTUMIMBCAH-WCFLWFBJSA-N 2 2 278.356 -0.154 20 0 CBADLP COC(=O)[C@@H]1C[C@H](C(=O)NC[C@H]2C[NH2+]C[C@H](C)C2)CC[NH2+]1 ZINC001219646796 824872948 /nfs/dbraw/zinc/87/29/48/824872948.db2.gz XZYPUUUKYSIQFK-LPWJVIDDSA-N 2 2 297.399 -0.111 20 0 CBADLP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)c2n[nH]c3c2C[NH2+]C3)C1 ZINC001219661281 824874090 /nfs/dbraw/zinc/87/40/90/824874090.db2.gz AXKNWVCTZTZJCL-IUCAKERBSA-N 2 2 263.345 -0.012 20 0 CBADLP C[C@@H]1C[C@@H](CNC(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)C[NH2+]1 ZINC001219685244 824878023 /nfs/dbraw/zinc/87/80/23/824878023.db2.gz XWLDWYWGWJINRO-DCQANWLSSA-N 3 2 252.362 -0.948 20 0 CBADLP C[C@@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)C[NH2+]1 ZINC001219685272 824878244 /nfs/dbraw/zinc/87/82/44/824878244.db2.gz YIRHTEXYVLKXQF-LDMBFOFVSA-N 3 2 252.362 -0.950 20 0 CBADLP CN(C(=O)CCNC(=O)C1([NH3+])CC[NH2+]CC1)C1CC1 ZINC001219692961 824881747 /nfs/dbraw/zinc/88/17/47/824881747.db2.gz KMNYAEXONFATCN-UHFFFAOYSA-N 2 2 268.361 -0.806 20 0 CBADLP Nc1nc(=O)[nH]cc1NC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001219700737 824882877 /nfs/dbraw/zinc/88/28/77/824882877.db2.gz CJNHZUUVHMYRNL-UHFFFAOYSA-N 2 2 266.305 -0.956 20 0 CBADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)N[C@@H]2COC[C@@H]2[NH3+])cc1 ZINC001219720873 824886959 /nfs/dbraw/zinc/88/69/59/824886959.db2.gz UHAZFMIUGGSYIT-SDDRHHMPSA-N 3 2 264.329 -0.899 20 0 CBADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@]1(F)CCC[NH2+]C1 ZINC001219767717 824891892 /nfs/dbraw/zinc/89/18/92/824891892.db2.gz CRNLDFCRTKPFNG-JQWIXIFHSA-N 3 2 269.324 -0.513 20 0 CBADLP O=C(NC1CC2(C1)CC[NH2+]CC2)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001219773479 824893658 /nfs/dbraw/zinc/89/36/58/824893658.db2.gz UKUVCAOHKSJVAG-ABAIWWIYSA-N 3 2 278.400 -0.414 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC001219865967 824904599 /nfs/dbraw/zinc/90/45/99/824904599.db2.gz XZUMHTJIEUZACO-ZDEQEGDKSA-N 2 2 261.325 -0.692 20 0 CBADLP C[NH+]1CCN(c2cc[nH+]cc2C(=O)NCC[NH3+])CC1 ZINC001219874467 824905846 /nfs/dbraw/zinc/90/58/46/824905846.db2.gz PCHFTYXVRVBIHK-UHFFFAOYSA-N 3 2 263.345 -0.478 20 0 CBADLP COC(=O)[C@@H](NC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1)[C@@H](C)O ZINC001219880571 824907644 /nfs/dbraw/zinc/90/76/44/824907644.db2.gz DZOSIPINPWKREZ-FXAINCCUSA-N 2 2 295.339 -0.703 20 0 CBADLP [NH3+]C1(C(=O)N[C@@H]2CCc3[nH]c(=O)ccc3C2)CC[NH2+]CC1 ZINC001219891454 824910784 /nfs/dbraw/zinc/91/07/84/824910784.db2.gz URDRZYAXGGQDCP-LLVKDONJSA-N 2 2 290.367 -0.158 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N[C@@H]1CCc2[nH]c(=O)ccc2C1 ZINC001219890688 824911134 /nfs/dbraw/zinc/91/11/34/824911134.db2.gz JUFRNKAWZJNPBI-VWYCJHECSA-N 2 2 276.340 -0.693 20 0 CBADLP [NH3+]C1(C(=O)NC[C@H](O)COc2ccccc2)CC[NH2+]CC1 ZINC001219919202 824915463 /nfs/dbraw/zinc/91/54/63/824915463.db2.gz ZIGCATZVVSDNTI-LBPRGKRZSA-N 2 2 293.367 -0.377 20 0 CBADLP Nc1ccccc1CNC(=O)[C@@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001219927521 824916395 /nfs/dbraw/zinc/91/63/95/824916395.db2.gz PKDCKQPJFVDKDV-AWEZNQCLSA-N 2 2 291.399 -0.365 20 0 CBADLP Cc1[nH+]ccn1CCNC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001219934798 824917551 /nfs/dbraw/zinc/91/75/51/824917551.db2.gz NQEFSULDHMPGNP-UHFFFAOYSA-N 3 2 251.334 -0.611 20 0 CBADLP CC(C)(C)C(=O)CNC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219943320 824918288 /nfs/dbraw/zinc/91/82/88/824918288.db2.gz CPWXKALCQTWABT-SECBINFHSA-N 2 2 253.346 -0.473 20 0 CBADLP Cc1cc(CNC(=O)[C@@H]([NH3+])CSCC[NH3+])[nH]n1 ZINC001219943494 824919438 /nfs/dbraw/zinc/91/94/38/824919438.db2.gz LAOKOPBALMFTON-VIFPVBQESA-N 2 2 257.363 -0.646 20 0 CBADLP Cc1cc(CNC(=O)[C@@H]([NH3+])CSCC[NH3+])n[nH]1 ZINC001219943494 824919440 /nfs/dbraw/zinc/91/94/40/824919440.db2.gz LAOKOPBALMFTON-VIFPVBQESA-N 2 2 257.363 -0.646 20 0 CBADLP C[NH+](C)Cc1cccc(CNC(=O)[C@@H]2C[NH2+]CCN2)c1 ZINC001219943732 824919465 /nfs/dbraw/zinc/91/94/65/824919465.db2.gz WJVUNAZJMWMLBO-AWEZNQCLSA-N 2 2 276.384 -0.074 20 0 CBADLP Cc1c[nH]c(CCNC(=O)[C@]2(N)CCC[NH2+]C2)[nH+]1 ZINC001219952653 824919899 /nfs/dbraw/zinc/91/98/99/824919899.db2.gz ZASHFTVGWRANOT-LBPRGKRZSA-N 2 2 251.334 -0.542 20 0 CBADLP Cc1c[nH]c(CCNC(=O)[C@@H]([NH3+])CC[S@@](C)=O)[nH+]1 ZINC001219951795 824920676 /nfs/dbraw/zinc/92/06/76/824920676.db2.gz CBTCSZFMGXECPR-NIVTXAMTSA-N 2 2 272.374 -0.527 20 0 CBADLP CCC[NH+]1CCC(NC(=O)C[C@H]([NH3+])C(=O)OC)CC1 ZINC001219954605 824921745 /nfs/dbraw/zinc/92/17/45/824921745.db2.gz MNAVVPVXMFOPEO-NSHDSACASA-N 2 2 271.361 -0.133 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H]([NH3+])COC(C)(C)C)C[NH2+]1 ZINC001219967870 824923497 /nfs/dbraw/zinc/92/34/97/824923497.db2.gz MYFFLLBACXUHSK-UTLUCORTSA-N 2 2 287.360 -0.852 20 0 CBADLP O=C(NCc1ccc2nonc2c1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001219965091 824923771 /nfs/dbraw/zinc/92/37/71/824923771.db2.gz BHYLLYYAPFYETI-IINYFYTJSA-N 2 2 287.323 -0.210 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](NC(=O)c2cnc([C@@H](C)[NH3+])s2)C[NH2+]1 ZINC001219967625 824924085 /nfs/dbraw/zinc/92/40/85/824924085.db2.gz CSHUXFKIWXGNSS-PRJMDXOYSA-N 2 2 298.368 -0.204 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](NC(=O)c2cccc(C[NH3+])c2)C[NH2+]1 ZINC001219967824 824924245 /nfs/dbraw/zinc/92/42/45/824924245.db2.gz KWDIAWMALYVKSZ-NEPJUHHUSA-N 2 2 277.324 -0.221 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](NC(=O)C[C@H]2CCC[NH2+]C2)C[NH2+]1 ZINC001219965102 824924407 /nfs/dbraw/zinc/92/44/07/824924407.db2.gz BONFOHLDEAGPKN-MXWKQRLJSA-N 2 2 269.345 -0.604 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](NC(=O)C2CC[NH2+]CC2)C[NH2+]1 ZINC001219965492 824924702 /nfs/dbraw/zinc/92/47/02/824924702.db2.gz PFWUVSXMUOWXBI-ZJUUUORDSA-N 2 2 255.318 -0.994 20 0 CBADLP [NH3+]C1(C(=O)NCc2ccc3nonc3c2)CC[NH2+]CC1 ZINC001219965225 824924718 /nfs/dbraw/zinc/92/47/18/824924718.db2.gz DSOFLZOIMUEDIX-UHFFFAOYSA-N 2 2 275.312 -0.080 20 0 CBADLP CC[C@H](C)[C@@H]([NH3+])CC(=O)N[C@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001219965330 824924745 /nfs/dbraw/zinc/92/47/45/824924745.db2.gz JPNYGLODFHZEQU-VLEAKVRGSA-N 2 2 271.361 -0.230 20 0 CBADLP C[N@@H+]1CCC[C@H](CCNC(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)C1 ZINC001219978967 824929783 /nfs/dbraw/zinc/92/97/83/824929783.db2.gz WWSYWMRMYBHSCV-UMVBOHGHSA-N 3 2 280.416 -0.214 20 0 CBADLP C[N@H+]1CCC[C@H](CCNC(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)C1 ZINC001219978967 824929789 /nfs/dbraw/zinc/92/97/89/824929789.db2.gz WWSYWMRMYBHSCV-UMVBOHGHSA-N 3 2 280.416 -0.214 20 0 CBADLP C[N@@H+]1CCC[C@@H](CCNC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)C1 ZINC001219980891 824929981 /nfs/dbraw/zinc/92/99/81/824929981.db2.gz QLQDLDPJCLQDIQ-TUAOUCFPSA-N 3 2 254.378 -0.476 20 0 CBADLP C[N@H+]1CCC[C@@H](CCNC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)C1 ZINC001219980891 824929982 /nfs/dbraw/zinc/92/99/82/824929982.db2.gz QLQDLDPJCLQDIQ-TUAOUCFPSA-N 3 2 254.378 -0.476 20 0 CBADLP C[NH+]1CC(NC(=O)[C@H]2CO[C@]3(C2)CCC[NH2+]CC3)C1 ZINC001220013210 824934054 /nfs/dbraw/zinc/93/40/54/824934054.db2.gz LCLXFKJFNJNPLE-BXUZGUMPSA-N 2 2 267.373 -0.035 20 0 CBADLP C[NH+]1CC(NC(=O)[C@@H]2CCCN([C@H]3CC[NH2+]C3)C2)C1 ZINC001220013409 824934345 /nfs/dbraw/zinc/93/43/45/824934345.db2.gz USVQRVGTKDYYQQ-YPMHNXCESA-N 2 2 266.389 -0.510 20 0 CBADLP C[NH+]1CC(NC(=O)[C@@H]([NH3+])Cc2c[nH]c3ncccc23)C1 ZINC001220013338 824934360 /nfs/dbraw/zinc/93/43/60/824934360.db2.gz RKKPKBUQSXGWDT-LBPRGKRZSA-N 2 2 273.340 -0.137 20 0 CBADLP C[NH2+][C@@H](CC(=O)OC(C)(C)C)C(=O)NC1C[NH+](C)C1 ZINC001220013325 824935233 /nfs/dbraw/zinc/93/52/33/824935233.db2.gz QYBZBNXZJRSTDR-JTQLQIEISA-N 2 2 271.361 -0.264 20 0 CBADLP COC(=O)c1ccnc(CNC(=O)C2([NH3+])CC[NH2+]CC2)c1 ZINC001220038038 824941311 /nfs/dbraw/zinc/94/13/11/824941311.db2.gz POZJHEQMEWQPSN-UHFFFAOYSA-N 2 2 292.339 -0.435 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)n1ccc(C[NH3+])cc1=N ZINC001220045134 824942122 /nfs/dbraw/zinc/94/21/22/824942122.db2.gz MYWLLKCTQGBOOD-NSHDSACASA-N 3 2 274.328 -0.630 20 0 CBADLP N=c1cc(C[NH3+])ccn1C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001220045057 824942622 /nfs/dbraw/zinc/94/26/22/824942622.db2.gz KDJMUOGBCWEPGE-BREBYQMCSA-N 3 2 261.329 -0.712 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1C[N@H+](CCCF)C[C@@H]1O ZINC001220053386 824945794 /nfs/dbraw/zinc/94/57/94/824945794.db2.gz JMYMYSQGCNIHOT-NEPJUHHUSA-N 2 2 298.362 -0.126 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1C[N@@H+](CCCF)C[C@@H]1O ZINC001220053386 824945802 /nfs/dbraw/zinc/94/58/02/824945802.db2.gz JMYMYSQGCNIHOT-NEPJUHHUSA-N 2 2 298.362 -0.126 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NCc1ccc2c(c1)CCO2 ZINC001220069890 824948771 /nfs/dbraw/zinc/94/87/71/824948771.db2.gz QVEYFQGNBPHXKR-RYUDHWBXSA-N 2 2 261.325 -0.216 20 0 CBADLP CCOC(=O)C(F)(F)CNC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220097173 824954193 /nfs/dbraw/zinc/95/41/93/824954193.db2.gz RLIDNJQHGWCELK-LDYMZIIASA-N 2 2 291.298 -0.748 20 0 CBADLP COCC[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001220105981 824956634 /nfs/dbraw/zinc/95/66/34/824956634.db2.gz VHVPLZRJFGWFHL-NEPJUHHUSA-N 2 2 282.344 -0.919 20 0 CBADLP COCC[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001220105981 824956637 /nfs/dbraw/zinc/95/66/37/824956637.db2.gz VHVPLZRJFGWFHL-NEPJUHHUSA-N 2 2 282.344 -0.919 20 0 CBADLP O=C(NCc1cccc(F)n1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220125025 824961530 /nfs/dbraw/zinc/96/15/30/824961530.db2.gz VAQOUOQFCHXDIP-RNCFNFMXSA-N 2 2 264.304 -0.212 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NCC1(F)CCOCC1 ZINC001220136806 824964319 /nfs/dbraw/zinc/96/43/19/824964319.db2.gz HUFNATASHQXUSG-NSHDSACASA-N 2 2 284.335 -0.075 20 0 CBADLP O=C(NCc1cc[nH]c(=O)c1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220148415 824969928 /nfs/dbraw/zinc/96/99/28/824969928.db2.gz ZYFZBPIBDWVJAZ-GXFFZTMASA-N 2 2 262.313 -0.645 20 0 CBADLP N=C(NC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2)c1nccs1 ZINC001220154092 824971219 /nfs/dbraw/zinc/97/12/19/824971219.db2.gz KPCUGINFMRTRJV-RDDDGLTNSA-N 2 2 265.342 -0.464 20 0 CBADLP CC(C)[NH+]1CC(NC(=O)[C@@]23C[NH2+]C[C@@H]2CCN3)C1 ZINC001220159916 824974931 /nfs/dbraw/zinc/97/49/31/824974931.db2.gz SHNYNXQYDUPJCG-GXFFZTMASA-N 2 2 252.362 -0.853 20 0 CBADLP COc1ccnc(C(=N)NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)n1 ZINC001220183404 824981074 /nfs/dbraw/zinc/98/10/74/824981074.db2.gz NVPQTTGIEXTXKH-QMMMGPOBSA-N 2 2 289.299 -0.780 20 0 CBADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001220185220 824983517 /nfs/dbraw/zinc/98/35/17/824983517.db2.gz CIUZVPICUBWDBS-DJLDLDEBSA-N 2 2 263.288 -0.930 20 0 CBADLP [NH3+][C@H]1CC[C@@H]1C(=O)NCC1([NH+]2CCCC2)COC1 ZINC001220197417 824984109 /nfs/dbraw/zinc/98/41/09/824984109.db2.gz BSVWVJKSPQQPRH-QWRGUYRKSA-N 2 2 253.346 -0.295 20 0 CBADLP CC1(C)C[C@H](CNC(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)O1 ZINC001220200684 824985824 /nfs/dbraw/zinc/98/58/24/824985824.db2.gz RFAYJYIOPDSQNJ-CWSCBRNRSA-N 2 2 253.346 -0.378 20 0 CBADLP O=C(NC1(c2cccnn2)CC1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220209711 824987291 /nfs/dbraw/zinc/98/72/91/824987291.db2.gz BGAUKFKSMBJFHS-GARJFASQSA-N 2 2 273.340 -0.468 20 0 CBADLP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220220928 824989086 /nfs/dbraw/zinc/98/90/86/824989086.db2.gz KULMWXCODMBZQN-YHQUGGNUSA-N 3 2 280.416 -0.075 20 0 CBADLP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001220220702 824989901 /nfs/dbraw/zinc/98/99/01/824989901.db2.gz BHMONBDJEQKDJK-GUBZILKMSA-N 2 2 281.364 -0.942 20 0 CBADLP C[N@@H+]1CCC[C@@H]1CCNC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220251699 824993746 /nfs/dbraw/zinc/99/37/46/824993746.db2.gz CAQFHDLCHPEVHC-QNWHQSFQSA-N 3 2 266.389 -0.463 20 0 CBADLP C[N@H+]1CCC[C@@H]1CCNC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220251699 824993754 /nfs/dbraw/zinc/99/37/54/824993754.db2.gz CAQFHDLCHPEVHC-QNWHQSFQSA-N 3 2 266.389 -0.463 20 0 CBADLP CN1C[C@H](CNC(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)CC1=O ZINC001220246143 824995037 /nfs/dbraw/zinc/99/50/37/824995037.db2.gz ZLVIBRDOCQLSDP-GWCFXTLKSA-N 2 2 290.367 -0.147 20 0 CBADLP O=C(N[C@@H]1CCc2n[nH]cc2C1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220260713 824997710 /nfs/dbraw/zinc/99/77/10/824997710.db2.gz DWVGWECDIIMWRW-JTNHKYCSSA-N 2 2 275.356 -0.665 20 0 CBADLP O=C(N[C@@H]1CCc2n[nH]cc2C1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220260712 824998323 /nfs/dbraw/zinc/99/83/23/824998323.db2.gz DWVGWECDIIMWRW-GYSYKLTISA-N 2 2 275.356 -0.665 20 0 CBADLP COCCn1cncc1CNC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220274850 825002294 /nfs/dbraw/zinc/00/22/94/825002294.db2.gz QRKGGBXXESNNBW-WCFLWFBJSA-N 2 2 293.371 -0.904 20 0 CBADLP COCCn1c[nH+]cc1CNC(=O)[C@]1(N)CCC[NH2+]C1 ZINC001220274626 825002527 /nfs/dbraw/zinc/00/25/27/825002527.db2.gz LDYYPPKWBLJLDG-ZDUSSCGKSA-N 2 2 281.360 -0.773 20 0 CBADLP COCCn1c[nH+]cc1CNC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001220275418 825002791 /nfs/dbraw/zinc/00/27/91/825002791.db2.gz YGYBSAFPHYXFHM-CYBMUJFWSA-N 3 2 295.387 -0.527 20 0 CBADLP COCCn1c[nH+]cc1CNC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001220274664 825003344 /nfs/dbraw/zinc/00/33/44/825003344.db2.gz NAJFZXHUQQWZGV-NSHDSACASA-N 3 2 269.349 -0.788 20 0 CBADLP COCCn1c[nH+]cc1CNC(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001220274501 825004184 /nfs/dbraw/zinc/00/41/84/825004184.db2.gz FORDFWZXVBCFIJ-LBPRGKRZSA-N 3 2 297.403 -0.008 20 0 CBADLP O=C(N[C@@H](CO)Cc1c[nH]c[nH+]1)C1CC2(C[NH2+]C2)C1 ZINC001220290912 825007560 /nfs/dbraw/zinc/00/75/60/825007560.db2.gz HYUMSJUKLYPDRB-LLVKDONJSA-N 2 2 264.329 -0.571 20 0 CBADLP O=C(N[C@@H](CO)Cc1c[nH+]c[nH]1)C1CC2(C[NH2+]C2)C1 ZINC001220290912 825007566 /nfs/dbraw/zinc/00/75/66/825007566.db2.gz HYUMSJUKLYPDRB-LLVKDONJSA-N 2 2 264.329 -0.571 20 0 CBADLP CC(C)(C)OC[C@H]([NH3+])CC(=O)N[C@@H](CO)Cc1c[nH]c[nH+]1 ZINC001220291134 825008426 /nfs/dbraw/zinc/00/84/26/825008426.db2.gz MTQCAELDENBFCT-ZYHUDNBSSA-N 2 2 298.387 -0.038 20 0 CBADLP CC(C)(C)OC[C@H]([NH3+])CC(=O)N[C@@H](CO)Cc1c[nH+]c[nH]1 ZINC001220291134 825008433 /nfs/dbraw/zinc/00/84/33/825008433.db2.gz MTQCAELDENBFCT-ZYHUDNBSSA-N 2 2 298.387 -0.038 20 0 CBADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220316895 825013233 /nfs/dbraw/zinc/01/32/33/825013233.db2.gz UMJBYDSKNMAEMN-SGMGOOAPSA-N 3 2 293.371 -0.693 20 0 CBADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220316889 825013583 /nfs/dbraw/zinc/01/35/83/825013583.db2.gz UMJBYDSKNMAEMN-BZPMIXESSA-N 3 2 293.371 -0.693 20 0 CBADLP Cc1cc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)n(N)c(=O)c1 ZINC001220323158 825015743 /nfs/dbraw/zinc/01/57/43/825015743.db2.gz CMGUPJXJLNWCSA-VIFPVBQESA-N 2 2 276.300 -0.898 20 0 CBADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CC12CCOCC2 ZINC001220329241 825017245 /nfs/dbraw/zinc/01/72/45/825017245.db2.gz KBNLILFZJGLKHK-GHMZBOCLSA-N 2 2 264.329 -0.035 20 0 CBADLP CCOC(=O)C1(CNC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)CCC1 ZINC001220371218 825021563 /nfs/dbraw/zinc/02/15/63/825021563.db2.gz QQAANTCOHMXRAI-ZJUUUORDSA-N 2 2 269.345 -0.475 20 0 CBADLP COC(=O)c1n[nH]cc1NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001220373191 825023098 /nfs/dbraw/zinc/02/30/98/825023098.db2.gz FBCZRGDMRVVPMH-QHMRUWFYSA-N 2 2 279.300 -0.643 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NCc1ncccc1O ZINC001220389606 825026240 /nfs/dbraw/zinc/02/62/40/825026240.db2.gz ANEGHLZJLYLTHC-JTQLQIEISA-N 2 2 275.312 -0.293 20 0 CBADLP O=C(NCc1ncccc1O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220389889 825026284 /nfs/dbraw/zinc/02/62/84/825026284.db2.gz GFLJFYWWLNGMCM-LPEHRKFASA-N 2 2 262.313 -0.647 20 0 CBADLP C[NH+](C)CCC(C)(C)NC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001220386571 825027115 /nfs/dbraw/zinc/02/71/15/825027115.db2.gz ZPXDLYKADVTSAL-UHFFFAOYSA-N 3 2 256.394 -0.086 20 0 CBADLP COC(=O)[C@H]1CC[C@H](NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)C1 ZINC001220405790 825031251 /nfs/dbraw/zinc/03/12/51/825031251.db2.gz DDKIQXAYZHJQBJ-MCSZRVDOSA-N 2 2 281.356 -0.334 20 0 CBADLP COC(=O)[C@@H]1CC[C@H](NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)C1 ZINC001220405839 825031503 /nfs/dbraw/zinc/03/15/03/825031503.db2.gz DVVRVXOPLGQRRL-IMSYWVGJSA-N 2 2 255.318 -0.867 20 0 CBADLP COC(=O)[C@H]1CC[C@H](NC(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)C1 ZINC001220405828 825032036 /nfs/dbraw/zinc/03/20/36/825032036.db2.gz DQPVWJJPYILOGK-NHCYSSNCSA-N 2 2 294.355 -0.252 20 0 CBADLP COC(=O)[C@H]1CC[C@@H](NC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)C1 ZINC001220407004 825032648 /nfs/dbraw/zinc/03/26/48/825032648.db2.gz ZYJMHTLEZMTHCO-HHHUOAJASA-N 2 2 281.356 -0.606 20 0 CBADLP COC(=O)[C@@H]1CC[C@H](NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)C1 ZINC001220406991 825033343 /nfs/dbraw/zinc/03/33/43/825033343.db2.gz ZROMIYDYZNBCKU-WCABBAIRSA-N 2 2 280.328 -0.263 20 0 CBADLP COC(=O)[C@@H]1CC[C@@H](NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)C1 ZINC001220406987 825033654 /nfs/dbraw/zinc/03/36/54/825033654.db2.gz ZROMIYDYZNBCKU-FXPVBKGRSA-N 2 2 280.328 -0.263 20 0 CBADLP COC(=O)[C@@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)C1 ZINC001220407006 825033855 /nfs/dbraw/zinc/03/38/55/825033855.db2.gz ZYJMHTLEZMTHCO-WTPMCQDGSA-N 2 2 281.356 -0.606 20 0 CBADLP O=C(CNC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2)Cc1ccccc1 ZINC001220462670 825044621 /nfs/dbraw/zinc/04/46/21/825044621.db2.gz KFKDRKUVKOVWIN-CZUORRHYSA-N 2 2 287.363 -0.134 20 0 CBADLP CC(C)(C)OC(=O)[C@H](CO)NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001220479327 825046362 /nfs/dbraw/zinc/04/63/62/825046362.db2.gz HPHUSBZPHXDBOK-RBQUTUCGSA-N 2 2 299.371 -0.973 20 0 CBADLP O=C(NC[C@@H](O)C1CCCCC1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220467435 825046793 /nfs/dbraw/zinc/04/67/93/825046793.db2.gz WQCWIAKCZJEGQN-IGQOVBAYSA-N 2 2 281.400 -0.006 20 0 CBADLP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001220550153 825060871 /nfs/dbraw/zinc/06/08/71/825060871.db2.gz KYDSRSYVDNIMBB-OLZOCXBDSA-N 2 2 296.371 -0.875 20 0 CBADLP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001220550153 825060880 /nfs/dbraw/zinc/06/08/80/825060880.db2.gz KYDSRSYVDNIMBB-OLZOCXBDSA-N 2 2 296.371 -0.875 20 0 CBADLP C[C@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])[C@H](O)c1cccc(O)c1 ZINC001220549123 825062208 /nfs/dbraw/zinc/06/22/08/825062208.db2.gz ZTYMPRCOJVLTKY-WTFGDDLMSA-N 2 2 279.340 -0.523 20 0 CBADLP C[C@@H]1COCC[C@H]1NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220564952 825062691 /nfs/dbraw/zinc/06/26/91/825062691.db2.gz IBQRLRIGFIWBMV-CSYMLDBXSA-N 2 2 253.346 -0.523 20 0 CBADLP C[C@H]1COCC[C@@H]1NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220565989 825063868 /nfs/dbraw/zinc/06/38/68/825063868.db2.gz WMTFJVDDQGIFGS-LSJOCFKGSA-N 2 2 252.318 -0.179 20 0 CBADLP COC(=O)[C@H](NC(=O)C1([NH3+])CC[NH2+]CC1)C(F)(F)F ZINC001220587358 825070644 /nfs/dbraw/zinc/07/06/44/825070644.db2.gz BBKZHCUAXTWNOB-LURJTMIESA-N 2 2 283.250 -0.713 20 0 CBADLP COC(=O)[C@@H](NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1)C(F)(F)F ZINC001220587528 825072059 /nfs/dbraw/zinc/07/20/59/825072059.db2.gz DTKCBZFCPNTGOK-RNFRBKRXSA-N 2 2 294.233 -0.500 20 0 CBADLP CC(=O)N1CC(NC(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)C1 ZINC001220599224 825075346 /nfs/dbraw/zinc/07/53/46/825075346.db2.gz PVCAPXMJASNQCH-ZDUSSCGKSA-N 2 2 276.340 -0.394 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N[C@@H]2CNc3ccccc3C2)C1 ZINC001220601951 825076282 /nfs/dbraw/zinc/07/62/82/825076282.db2.gz PNLXXAPACSKXNN-MDZLAQPJSA-N 2 2 260.341 -0.171 20 0 CBADLP CCOC(=O)[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220661316 825082141 /nfs/dbraw/zinc/08/21/41/825082141.db2.gz XAEZJBHHOQFTHR-FPYNETTCSA-N 2 2 295.383 -0.216 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NCc1ccc2ocnc2c1 ZINC001220679134 825083986 /nfs/dbraw/zinc/08/39/86/825083986.db2.gz UIWXPUKTXWKLPE-UWVGGRQHSA-N 2 2 260.297 -0.009 20 0 CBADLP CC(=O)CC(C)(C)NC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220687207 825088157 /nfs/dbraw/zinc/08/81/57/825088157.db2.gz IUDOIPUSDKLFIN-MFKMUULPSA-N 2 2 253.346 -0.188 20 0 CBADLP O=C(NCC1Oc2ccccc2O1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220709018 825088589 /nfs/dbraw/zinc/08/85/89/825088589.db2.gz PISUINUATRHNCV-ZUZCIYMTSA-N 2 2 289.335 -0.148 20 0 CBADLP Nc1ncc(CCNC(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)s1 ZINC001220704263 825089140 /nfs/dbraw/zinc/08/91/40/825089140.db2.gz MSYNAXDCRAXDCL-UFBFGSQYSA-N 2 2 281.385 -0.665 20 0 CBADLP CC(C)(C)NC(=O)CCNC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220709009 825089398 /nfs/dbraw/zinc/08/93/98/825089398.db2.gz PCRFEAAHPPNRNH-HZMBPMFUSA-N 2 2 282.388 -0.641 20 0 CBADLP C[C@@](CO)(NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)c1ccccc1 ZINC001220712236 825091436 /nfs/dbraw/zinc/09/14/36/825091436.db2.gz XVPGWHFGQCOHDD-ZIEJDFEHSA-N 2 2 289.379 -0.040 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CC[NH2+]C[C@H]1F ZINC001220724044 825093636 /nfs/dbraw/zinc/09/36/36/825093636.db2.gz CQTCFXPJXVMITC-IJLUTSLNSA-N 2 2 273.352 -0.229 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CC[NH2+]C[C@H]1F ZINC001220724044 825093640 /nfs/dbraw/zinc/09/36/40/825093640.db2.gz CQTCFXPJXVMITC-IJLUTSLNSA-N 2 2 273.352 -0.229 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CC[NH2+]C[C@H]1F ZINC001220724043 825094533 /nfs/dbraw/zinc/09/45/33/825094533.db2.gz CQTCFXPJXVMITC-GRYCIOLGSA-N 2 2 273.352 -0.229 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1CC[NH2+]C[C@H]1F ZINC001220724043 825094539 /nfs/dbraw/zinc/09/45/39/825094539.db2.gz CQTCFXPJXVMITC-GRYCIOLGSA-N 2 2 273.352 -0.229 20 0 CBADLP COCCC[N@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001220757811 825098296 /nfs/dbraw/zinc/09/82/96/825098296.db2.gz YTAVRNVIUDCQDD-OLZOCXBDSA-N 2 2 296.371 -0.840 20 0 CBADLP COCCC[N@@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001220757811 825098302 /nfs/dbraw/zinc/09/83/02/825098302.db2.gz YTAVRNVIUDCQDD-OLZOCXBDSA-N 2 2 296.371 -0.840 20 0 CBADLP CC1(C)[C@@H](O)C[C@@H]1NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220766184 825098886 /nfs/dbraw/zinc/09/88/86/825098886.db2.gz NGSJIMZFKVJEDJ-GUBZILKMSA-N 2 2 252.318 -0.445 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N[C@H]1C[C@H](O)C1(C)C ZINC001220765684 825099013 /nfs/dbraw/zinc/09/90/13/825099013.db2.gz CMFBRQHVUVPZJI-DCAQKATOSA-N 2 2 266.345 -0.435 20 0 CBADLP CC1(C)[C@@H](O)C[C@@H]1NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220765777 825099724 /nfs/dbraw/zinc/09/97/24/825099724.db2.gz FCIWZGXQBJAKLB-HHKYUTTNSA-N 2 2 253.346 -0.788 20 0 CBADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)C1CC[NH2+]CC1 ZINC001220769046 825099950 /nfs/dbraw/zinc/09/99/50/825099950.db2.gz HIXHHRIYHFXYKO-LBPRGKRZSA-N 2 2 294.355 -0.380 20 0 CBADLP [NH3+]C1(C(=O)N[C@H]2CC[NH2+]C[C@H]2C(F)(F)F)CC[NH2+]CC1 ZINC001220803491 825104129 /nfs/dbraw/zinc/10/41/29/825104129.db2.gz HSRQOLWPMGLWQM-BDAKNGLRSA-N 3 2 294.321 -0.276 20 0 CBADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C(F)(F)F)C1 ZINC001220806046 825104723 /nfs/dbraw/zinc/10/47/23/825104723.db2.gz XEXRLXJMJRDRRX-MAUMQABQSA-N 3 2 280.294 -0.668 20 0 CBADLP CCOC(=O)C1=C(NC(=O)c2n[nH]c3c2C[NH2+]C3)C[NH2+]C1 ZINC001220836438 825109348 /nfs/dbraw/zinc/10/93/48/825109348.db2.gz NAJXZUWHFAJOBO-UHFFFAOYSA-N 2 2 291.311 -0.837 20 0 CBADLP CCOC(=O)C1=C(NC(=O)c2[nH]nc3c2C[NH2+]C3)C[NH2+]C1 ZINC001220836438 825109352 /nfs/dbraw/zinc/10/93/52/825109352.db2.gz NAJXZUWHFAJOBO-UHFFFAOYSA-N 2 2 291.311 -0.837 20 0 CBADLP CSCC[C@H](NC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C)C(N)=O ZINC001220840780 825110578 /nfs/dbraw/zinc/11/05/78/825110578.db2.gz VQPXDEITBSIEED-UWVGGRQHSA-N 2 2 299.400 -0.987 20 0 CBADLP CCOC(=O)C1(NC(=O)[C@]2(C)CC(F)(F)C[NH2+]2)C[NH2+]C1 ZINC001220851216 825112591 /nfs/dbraw/zinc/11/25/91/825112591.db2.gz MQEROWJUDZNGND-JTQLQIEISA-N 2 2 291.298 -0.605 20 0 CBADLP CCOC(=O)C1(NC(=O)c2cnc([C@@H](C)[NH3+])s2)C[NH2+]C1 ZINC001220853332 825112973 /nfs/dbraw/zinc/11/29/73/825112973.db2.gz WKJDBFURBUNCOM-SSDOTTSWSA-N 2 2 298.368 -0.202 20 0 CBADLP [NH3+]C1(C(=O)NCCO[C@H]2CCCCO2)CC[NH2+]CC1 ZINC001220862034 825113794 /nfs/dbraw/zinc/11/37/94/825113794.db2.gz MSGIRRMKCWXEAF-NSHDSACASA-N 2 2 271.361 -0.273 20 0 CBADLP O=C(NCCO[C@@H]1CCCCO1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220862084 825114285 /nfs/dbraw/zinc/11/42/85/825114285.db2.gz OOBJXMOXVXXRKZ-YRGRVCCFSA-N 2 2 283.372 -0.403 20 0 CBADLP CCC[C@@H](CCO)NC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220868775 825117234 /nfs/dbraw/zinc/11/72/34/825117234.db2.gz UCVJEXFBJMUOJK-GMXVVIOVSA-N 2 2 255.362 -0.395 20 0 CBADLP COC(=O)[C@H]1C[C@H]1CNC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220881977 825119703 /nfs/dbraw/zinc/11/97/03/825119703.db2.gz QRKISORNUQERIU-HGNGGELXSA-N 2 2 266.301 -0.795 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N[C@@H]1CCC[NH2+]C1 ZINC001220882148 825119944 /nfs/dbraw/zinc/11/99/44/825119944.db2.gz SMHIKWMZKQMDAJ-KOLCDFICSA-N 3 2 251.334 -0.842 20 0 CBADLP O=C(N[C@H]1CC[N@H+](Cc2cccnc2)C1)[C@@H]1COC[NH2+]1 ZINC001220915135 825124060 /nfs/dbraw/zinc/12/40/60/825124060.db2.gz ODDQWNTZXFFHTJ-STQMWFEESA-N 2 2 276.340 -0.282 20 0 CBADLP O=C(N[C@H]1CC[N@@H+](Cc2cccnc2)C1)[C@@H]1COC[NH2+]1 ZINC001220915135 825124065 /nfs/dbraw/zinc/12/40/65/825124065.db2.gz ODDQWNTZXFFHTJ-STQMWFEESA-N 2 2 276.340 -0.282 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N(C1COC1)[C@@H]1CC[C@@H]([NH3+])CC1 ZINC001220929511 825124216 /nfs/dbraw/zinc/12/42/16/825124216.db2.gz AZBRDGDSFXJYBD-UKJIMTQDSA-N 3 2 282.388 -0.970 20 0 CBADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NC1(c2ncccn2)CC1 ZINC001220931853 825124634 /nfs/dbraw/zinc/12/46/34/825124634.db2.gz BKPLYMAGJHHFEX-JTQLQIEISA-N 2 2 272.312 -0.125 20 0 CBADLP CCC(=O)N1CC[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)C1 ZINC001220907475 825124621 /nfs/dbraw/zinc/12/46/21/825124621.db2.gz UAPLEALXCLXBIM-SUNKGSAMSA-N 2 2 280.372 -0.935 20 0 CBADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)[C@H]1C[NH2+]C[C@H]1O ZINC001220933878 825125164 /nfs/dbraw/zinc/12/51/64/825125164.db2.gz DTMLKGOWQJAHIE-GRYCIOLGSA-N 2 2 276.340 -0.643 20 0 CBADLP Cc1noc(C2(NC(=O)[C@@]34C[NH2+]C[C@@H]3CC[NH2+]4)CC2)n1 ZINC001220933027 825125304 /nfs/dbraw/zinc/12/53/04/825125304.db2.gz UEZYUBYPOJRUSF-TVQRCGJNSA-N 2 2 277.328 -0.565 20 0 CBADLP Cc1noc(C2(NC(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])CC2)n1 ZINC001220932259 825125364 /nfs/dbraw/zinc/12/53/64/825125364.db2.gz JMJHFTGSEYLQGK-YUMQZZPRSA-N 2 2 251.290 -0.970 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N[C@@H]2CCCc3nccnc32)C1 ZINC001220951013 825129200 /nfs/dbraw/zinc/12/92/00/825129200.db2.gz NFYZWBQLWHSGDQ-IEBDPFPHSA-N 2 2 261.329 -0.341 20 0 CBADLP C[C@@H]1C[C@H](NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)CCO1 ZINC001221008113 825135846 /nfs/dbraw/zinc/13/58/46/825135846.db2.gz JVNMITXLYHQOPB-CJJWORHMSA-N 2 2 253.346 -0.108 20 0 CBADLP COC[C@H](NC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2)C1CC1 ZINC001221012968 825136697 /nfs/dbraw/zinc/13/66/97/825136697.db2.gz GFKHYURTBUJOGJ-GMXVVIOVSA-N 2 2 253.346 -0.521 20 0 CBADLP COC[C@H](NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1)C1CC1 ZINC001221013815 825136892 /nfs/dbraw/zinc/13/68/92/825136892.db2.gz XXJFTFCHFZTQAU-MNOVXSKESA-N 2 2 252.318 -0.179 20 0 CBADLP [NH3+]C1(C(=O)NCCc2nncs2)CC[NH2+]CC1 ZINC001221013344 825137765 /nfs/dbraw/zinc/13/77/65/825137765.db2.gz OVPJPQJHRMVIGJ-UHFFFAOYSA-N 2 2 255.347 -0.722 20 0 CBADLP O=C(NCc1c[nH+]cn1C1CCC1)[C@H]1C[NH2+]C[C@H]1O ZINC001221023454 825139079 /nfs/dbraw/zinc/13/90/79/825139079.db2.gz LZTNFFJOUNYMKR-NWDGAFQWSA-N 2 2 264.329 -0.195 20 0 CBADLP COC(=O)c1ccc(CNC(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)[nH]1 ZINC001221079894 825142115 /nfs/dbraw/zinc/14/21/15/825142115.db2.gz NJUMMZOHHRIYEH-XPTSAGLGSA-N 2 2 292.339 -0.631 20 0 CBADLP COCCC1([NH3+])CCN(C(=O)C[C@H]([NH3+])C(=O)OC)CC1 ZINC001221134070 825147328 /nfs/dbraw/zinc/14/73/28/825147328.db2.gz JOMZSASZFBPKNL-JTQLQIEISA-N 2 2 287.360 -0.767 20 0 CBADLP CCOCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001221166489 825148315 /nfs/dbraw/zinc/14/83/15/825148315.db2.gz SYLCZAHRRLMGNF-NEPJUHHUSA-N 2 2 282.344 -0.919 20 0 CBADLP CCOCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001221166489 825148317 /nfs/dbraw/zinc/14/83/17/825148317.db2.gz SYLCZAHRRLMGNF-NEPJUHHUSA-N 2 2 282.344 -0.919 20 0 CBADLP COCC1(CNC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])CCOCC1 ZINC001221176624 825149933 /nfs/dbraw/zinc/14/99/33/825149933.db2.gz HBDJYPHYWDALQK-QWRGUYRKSA-N 2 2 271.361 -0.908 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NCC1(c2ccc(F)cn2)CC1 ZINC001221174472 825150215 /nfs/dbraw/zinc/15/02/15/825150215.db2.gz DIPDNDIDOHQRBL-QWRGUYRKSA-N 2 2 278.331 -0.085 20 0 CBADLP O=C(NCCc1ccc(CO)cc1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001221190677 825151654 /nfs/dbraw/zinc/15/16/54/825151654.db2.gz YDIPGLMRGRGRKT-GOEBONIOSA-N 2 2 289.379 -0.211 20 0 CBADLP O=C(NCc1nc2cc[nH]cc-2n1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001221194067 825152717 /nfs/dbraw/zinc/15/27/17/825152717.db2.gz KUGYTJUHIIMSQE-LKFCYVNXSA-N 2 2 286.339 -0.474 20 0 CBADLP CC(C)(C)[NH+]1CC(NC(=O)[C@H]([NH3+])Cc2c[nH]cn2)C1 ZINC001221195132 825152779 /nfs/dbraw/zinc/15/27/79/825152779.db2.gz ZNTMOYXXUDWMPB-LLVKDONJSA-N 2 2 265.361 -0.122 20 0 CBADLP CC(C)(C)[NH+]1CC(NC(=O)[C@H]([NH3+])Cc2cnc[nH]2)C1 ZINC001221195132 825152784 /nfs/dbraw/zinc/15/27/84/825152784.db2.gz ZNTMOYXXUDWMPB-LLVKDONJSA-N 2 2 265.361 -0.122 20 0 CBADLP CC(=O)OC[C@H]([NH3+])C(=O)NC1C[NH+](C(C)(C)C)C1 ZINC001221194132 825153005 /nfs/dbraw/zinc/15/30/05/825153005.db2.gz LVOMCEHYKMKJBY-JTQLQIEISA-N 2 2 257.334 -0.524 20 0 CBADLP COC(=O)[C@@H]([NH3+])CC(=O)NC[C@]1(CC2CC2)CCC[NH2+]1 ZINC001221248306 825161687 /nfs/dbraw/zinc/16/16/87/825161687.db2.gz QJCXLMPWQOOMJD-SMDDNHRTSA-N 2 2 283.372 -0.085 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NC[C@]2(CC3CC3)CCC[NH2+]2)C1 ZINC001221248478 825162484 /nfs/dbraw/zinc/16/24/84/825162484.db2.gz XXDJMHNWHZWOAA-MBNYWOFBSA-N 3 2 266.389 -0.286 20 0 CBADLP CCOC(=O)/C=C(/NC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2)OCC ZINC001221262481 825164075 /nfs/dbraw/zinc/16/40/75/825164075.db2.gz FXEMXFNUOQBKHG-OPXKUJMISA-N 2 2 297.355 -0.505 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N[C@H]1CCCNC(=O)C1 ZINC001221268538 825165803 /nfs/dbraw/zinc/16/58/03/825165803.db2.gz AWVKZZCVIAHWHO-ONGXEEELSA-N 2 2 279.344 -0.925 20 0 CBADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)NC2=CC(=O)NCC2)cc1 ZINC001221319331 825171081 /nfs/dbraw/zinc/17/10/81/825171081.db2.gz WHWRJHCRZCDLFG-GFCCVEGCSA-N 2 2 274.324 -0.221 20 0 CBADLP COC(=O)C12CCC(NC(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])(CC1)C2 ZINC001221367153 825176392 /nfs/dbraw/zinc/17/63/92/825176392.db2.gz YPNKCYXNMDLVNJ-MBFGLIKCSA-N 2 2 281.356 -0.475 20 0 CBADLP CC(C)(C)[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1[NH2+]CC[C@@H]1O ZINC001221358861 825176818 /nfs/dbraw/zinc/17/68/18/825176818.db2.gz RUMVMALWJXREDG-AVGNSLFASA-N 2 2 299.415 -0.428 20 0 CBADLP CC1(C)C(=O)NC[C@H]1NC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001221368561 825177275 /nfs/dbraw/zinc/17/72/75/825177275.db2.gz GISKKWZHBHIHGD-NWDGAFQWSA-N 2 2 290.367 -0.101 20 0 CBADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)NC[C@H]2CNC(=O)O2)cc1 ZINC001221371025 825177687 /nfs/dbraw/zinc/17/76/87/825177687.db2.gz VQDYZKXCWXWHNI-WDEREUQCSA-N 2 2 278.312 -0.517 20 0 CBADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)NC[C@@H]2CNC(=O)O2)cc1 ZINC001221371015 825177953 /nfs/dbraw/zinc/17/79/53/825177953.db2.gz VQDYZKXCWXWHNI-GHMZBOCLSA-N 2 2 278.312 -0.517 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NC[C@@H](CO)c2ccccc2)C1 ZINC001221377817 825178751 /nfs/dbraw/zinc/17/87/51/825178751.db2.gz RAQZKXUSAPTQEM-XQQFMLRXSA-N 2 2 263.341 -0.432 20 0 CBADLP NC1=CC=C(C2CCN(C(=O)[C@@H]3C[C@H]([NH3+])C[NH2+]3)CC2)[NH2+]C1 ZINC001221391680 825180300 /nfs/dbraw/zinc/18/03/00/825180300.db2.gz FUGXRXXZYWZAQF-JSGCOSHPSA-N 3 2 291.399 -0.756 20 0 CBADLP CC(C)N(C(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2)C(C)(C)C[NH3+] ZINC001221394066 825181313 /nfs/dbraw/zinc/18/13/13/825181313.db2.gz IELWITISQSQPBB-FZMZJTMJSA-N 3 2 268.405 -0.088 20 0 CBADLP C[S@@](=O)CC[C@H]([NH3+])C(=O)NCCOc1cc[nH+]cc1 ZINC001221393411 825181368 /nfs/dbraw/zinc/18/13/68/825181368.db2.gz CWLPQKWUOXHECM-JEOXALJRSA-N 2 2 285.369 -0.328 20 0 CBADLP O=C(NCCOc1cc[nH+]cc1)[C@H]1C[NH2+]C[C@@H]1O ZINC001221393837 825181395 /nfs/dbraw/zinc/18/13/95/825181395.db2.gz OMNDVJWGZGYYQT-QWRGUYRKSA-N 2 2 251.286 -0.843 20 0 CBADLP [NH3+]C1(C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)CC[NH2+]CC1 ZINC001221397823 825181880 /nfs/dbraw/zinc/18/18/80/825181880.db2.gz NZHNGKMLBJJKIR-AWEZNQCLSA-N 3 2 288.395 -0.102 20 0 CBADLP C[C@@]1(NC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)CCCOC1 ZINC001221402586 825182530 /nfs/dbraw/zinc/18/25/30/825182530.db2.gz ISVLBHSAFWHOGD-MEWQQHAOSA-N 2 2 253.346 -0.378 20 0 CBADLP C[NH+](C)CCCCC(=O)N1C[C@H]2CC[N@H+](CC(N)=O)C[C@H]21 ZINC001221962602 825198389 /nfs/dbraw/zinc/19/83/89/825198389.db2.gz MJEQYMREAIGPDK-CHWSQXEVSA-N 2 2 296.415 -0.264 20 0 CBADLP C[NH+](C)CCCCC(=O)N1C[C@H]2CC[N@@H+](CC(N)=O)C[C@H]21 ZINC001221962602 825198393 /nfs/dbraw/zinc/19/83/93/825198393.db2.gz MJEQYMREAIGPDK-CHWSQXEVSA-N 2 2 296.415 -0.264 20 0 CBADLP C([C@@H]1COCC[NH2+]1)N1CC[NH2+]C2(CC[NH2+]CC2)C1 ZINC001222085998 825199478 /nfs/dbraw/zinc/19/94/78/825199478.db2.gz QTFSWFVUSDUAMQ-GFCCVEGCSA-N 3 2 254.378 -0.998 20 0 CBADLP COC[C@H](O)C[NH2+][C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001222098766 825200331 /nfs/dbraw/zinc/20/03/31/825200331.db2.gz PPGDFXCJPDDQSX-QWHCGFSZSA-N 2 2 296.371 -0.529 20 0 CBADLP c1c(CN2CC[NH2+]C3(CC[NH2+]CC3)C2)nc2n1CCOC2 ZINC001222094829 825200623 /nfs/dbraw/zinc/20/06/23/825200623.db2.gz KYFKMRDTXBYTJN-UHFFFAOYSA-N 2 2 291.399 -0.059 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CCC(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001225658784 825258892 /nfs/dbraw/zinc/25/88/92/825258892.db2.gz OUHOYZUQCHYFQN-LLVKDONJSA-N 2 2 293.371 -0.415 20 0 CBADLP Cn1c[nH+]c(CCNC(=O)NCCOCC[NH+](C)C)c1 ZINC001226575149 825282268 /nfs/dbraw/zinc/28/22/68/825282268.db2.gz GPMBDQPLDUQYAD-UHFFFAOYSA-N 2 2 283.376 -0.160 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CCC(NC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001227139273 825296671 /nfs/dbraw/zinc/29/66/71/825296671.db2.gz YOGAHWCPRAMZTN-JTQLQIEISA-N 2 2 293.371 -0.203 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)NC1CC[NH+](CCO)CC1 ZINC001228415959 825317505 /nfs/dbraw/zinc/31/75/05/825317505.db2.gz XHRSLGQMKUQPLT-UHFFFAOYSA-N 2 2 280.372 -0.074 20 0 CBADLP C[NH+]1CCN(c2ccc(C[NH+]3CC(C(N)=O)C3)cn2)CC1 ZINC001232361936 825420283 /nfs/dbraw/zinc/42/02/83/825420283.db2.gz FPLSSYRCAWXWFM-UHFFFAOYSA-N 2 2 289.383 -0.250 20 0 CBADLP CC1(C[N@@H+]2CCN3CC[NH2+]C[C@H]3C2)CC[NH2+]CC1 ZINC001234976604 825478153 /nfs/dbraw/zinc/47/81/53/825478153.db2.gz VNOIXRSULAMYHO-ZDUSSCGKSA-N 3 2 252.406 -0.035 20 0 CBADLP CC1(C[N@H+]2CCN3CC[NH2+]C[C@H]3C2)CC[NH2+]CC1 ZINC001234976604 825478156 /nfs/dbraw/zinc/47/81/56/825478156.db2.gz VNOIXRSULAMYHO-ZDUSSCGKSA-N 3 2 252.406 -0.035 20 0 CBADLP [NH3+]CCN1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001235551120 825502574 /nfs/dbraw/zinc/50/25/74/825502574.db2.gz GNYFYLHVAFJAOD-UHFFFAOYSA-N 2 2 261.333 -0.313 20 0 CBADLP CC1(C)O[C@@H]2O[C@@H](C[N@@H+]3CCCC4(C[NH2+]C4)C3)[C@@H](O)[C@@H]2O1 ZINC001235711238 825511411 /nfs/dbraw/zinc/51/14/11/825511411.db2.gz NXRDINRROOIWHP-RNJOBUHISA-N 2 2 298.383 -0.091 20 0 CBADLP CC1(C)O[C@@H]2O[C@@H](C[N@H+]3CCCC4(C[NH2+]C4)C3)[C@@H](O)[C@@H]2O1 ZINC001235711238 825511416 /nfs/dbraw/zinc/51/14/16/825511416.db2.gz NXRDINRROOIWHP-RNJOBUHISA-N 2 2 298.383 -0.091 20 0 CBADLP COCC(=O)NC1CC[NH+](C[C@@H]2C[NH2+]C(C)(C)O2)CC1 ZINC001235706653 825512396 /nfs/dbraw/zinc/51/23/96/825512396.db2.gz ZALRGADRVRBQFP-LBPRGKRZSA-N 2 2 285.388 -0.062 20 0 CBADLP CCOC(=O)[C@]12C[N@H+](CC(=O)N(C)C)C[C@H]1C[NH2+]CC2 ZINC001236037003 825519672 /nfs/dbraw/zinc/51/96/72/825519672.db2.gz CBBJIQVSKHKIGG-BXUZGUMPSA-N 2 2 283.372 -0.451 20 0 CBADLP CCOC(=O)[C@]12C[N@@H+](CC(=O)N(C)C)C[C@H]1C[NH2+]CC2 ZINC001236037003 825519674 /nfs/dbraw/zinc/51/96/74/825519674.db2.gz CBBJIQVSKHKIGG-BXUZGUMPSA-N 2 2 283.372 -0.451 20 0 CBADLP COc1nccc(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])n1 ZINC001235992191 825519819 /nfs/dbraw/zinc/51/98/19/825519819.db2.gz AVAJOBPWJZKMOI-DHHPTOIESA-N 2 2 264.329 -0.109 20 0 CBADLP COc1nccc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])n1 ZINC001235992191 825519825 /nfs/dbraw/zinc/51/98/25/825519825.db2.gz AVAJOBPWJZKMOI-DHHPTOIESA-N 2 2 264.329 -0.109 20 0 CBADLP COC(=O)[C@@]1([NH3+])CCN(C[C@@H]2C[NH2+]C(C)(C)O2)C1 ZINC001236280193 825525242 /nfs/dbraw/zinc/52/52/42/825525242.db2.gz URPQURUDBXJEKF-JOYOIKCWSA-N 2 2 257.334 -0.713 20 0 CBADLP CCn1c[nH+]cc1CN1C[C@H]([NH3+])[C@@H](C(=O)OC)C1 ZINC001236350927 825530890 /nfs/dbraw/zinc/53/08/90/825530890.db2.gz KUEDQNCBAZUHCU-QWRGUYRKSA-N 2 2 252.318 -0.165 20 0 CBADLP COC(=O)[C@@H]1CN(Cc2c(C)[nH+]cn2C)C[C@H]1[NH3+] ZINC001236357707 825532256 /nfs/dbraw/zinc/53/22/56/825532256.db2.gz SUSATBGVCUDFPM-NXEZZACHSA-N 2 2 252.318 -0.339 20 0 CBADLP [NH3+]CCN(CCC[NH+]1CCOCC1)CC1CC[NH2+]CC1 ZINC001236387156 825532584 /nfs/dbraw/zinc/53/25/84/825532584.db2.gz VFILQDFJZAUZQS-UHFFFAOYSA-N 3 2 284.448 -0.031 20 0 CBADLP CC(=O)N1CC2(C1)C[N@H+](C[C@@H](C)[NH3+])C[C@@H]2C(=O)N(C)C ZINC001237179268 825535460 /nfs/dbraw/zinc/53/54/60/825535460.db2.gz JGHOZTJCJSPEON-ZYHUDNBSSA-N 2 2 282.388 -0.798 20 0 CBADLP CC(=O)N1CC2(C1)C[N@@H+](C[C@@H](C)[NH3+])C[C@@H]2C(=O)N(C)C ZINC001237179268 825535463 /nfs/dbraw/zinc/53/54/63/825535463.db2.gz JGHOZTJCJSPEON-ZYHUDNBSSA-N 2 2 282.388 -0.798 20 0 CBADLP O=S(=O)(CC1CC[NH2+]CC1)NC[C@@H]1CC(F)(F)C[NH2+]1 ZINC001238107683 825547033 /nfs/dbraw/zinc/54/70/33/825547033.db2.gz HORRKBUUYVCQDD-JTQLQIEISA-N 2 2 297.371 -0.097 20 0 CBADLP Cc1ccc(F)cc1S(=O)(=O)NCC[NH2+]CC[NH3+] ZINC001238838268 825566657 /nfs/dbraw/zinc/56/66/57/825566657.db2.gz HOYJMNGMCGADSM-UHFFFAOYSA-N 2 2 275.349 -0.039 20 0 CBADLP O=C(NC1CCCC1)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001239286277 825598943 /nfs/dbraw/zinc/59/89/43/825598943.db2.gz HRIHQVQWMPLZOU-UHFFFAOYSA-N 2 2 283.420 -0.277 20 0 CBADLP CCCCNC(=S)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001239439793 825603574 /nfs/dbraw/zinc/60/35/74/825603574.db2.gz YFEJMPDVDNWMPD-UHFFFAOYSA-N 2 2 287.477 -0.255 20 0 CBADLP C[C@H]1CC[C@H](NC[C@@H](O)C[NH+]2CCOCC2)C[NH2+]1 ZINC001245971771 825615861 /nfs/dbraw/zinc/61/58/61/825615861.db2.gz CCZSGMMCSDYEQC-RWMBFGLXSA-N 2 2 257.378 -0.590 20 0 CBADLP CCCOC[C@@H](O)C[NH2+][C@H](C(=O)OC)C1CC[NH2+]CC1 ZINC001245999552 825619531 /nfs/dbraw/zinc/61/95/31/825619531.db2.gz AKFKJQVSNFFVJA-STQMWFEESA-N 2 2 288.388 -0.095 20 0 CBADLP Cc1ccc(OC[C@H](O)C[NH2+]C[C@H]2C[NH2+]CCN2)cc1 ZINC001246015072 825620369 /nfs/dbraw/zinc/62/03/69/825620369.db2.gz OIXCGLOHJMQPEB-ZIAGYGMSSA-N 2 2 279.384 -0.114 20 0 CBADLP [NH3+][C@@H]1CC[N@H+](C[C@@H](O)COc2cccc(F)c2)C[C@H]1O ZINC001246017994 825622244 /nfs/dbraw/zinc/62/22/44/825622244.db2.gz CBIYDANJCBGIGB-MRVWCRGKSA-N 2 2 284.331 -0.041 20 0 CBADLP [NH3+][C@@H]1CC[N@@H+](C[C@@H](O)COc2cccc(F)c2)C[C@H]1O ZINC001246017994 825622251 /nfs/dbraw/zinc/62/22/51/825622251.db2.gz CBIYDANJCBGIGB-MRVWCRGKSA-N 2 2 284.331 -0.041 20 0 CBADLP [NH3+]C[C@@H](NC[C@@H](O)C[NH+]1CCOCC1)c1ccccc1 ZINC001246022432 825623893 /nfs/dbraw/zinc/62/38/93/825623893.db2.gz YDGADJGBKIMUQS-HUUCEWRRSA-N 2 2 279.384 -0.031 20 0 CBADLP COc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)cc1 ZINC001246026506 825626037 /nfs/dbraw/zinc/62/60/37/825626037.db2.gz VKCLTANEYRKMKD-NILFDRSVSA-N 2 2 296.367 -0.171 20 0 CBADLP COc1ccc(OC[C@@H](O)C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)cc1 ZINC001246026506 825626041 /nfs/dbraw/zinc/62/60/41/825626041.db2.gz VKCLTANEYRKMKD-NILFDRSVSA-N 2 2 296.367 -0.171 20 0 CBADLP C[C@H]1CC[C@@H]([NH2+]CCC(=O)N2CC[NH2+]CC2)C[NH2+]1 ZINC001246107202 825635703 /nfs/dbraw/zinc/63/57/03/825635703.db2.gz GTLNXINTYJWILF-NWDGAFQWSA-N 3 2 254.378 -0.462 20 0 CBADLP CC[C@]1(C(=O)OC)C[C@H](N[C@@H]2CC[NH2+]C[C@H]2F)C[NH2+]1 ZINC001246099594 825636054 /nfs/dbraw/zinc/63/60/54/825636054.db2.gz ROFLXSMPTHRFQX-SBFPOUOMSA-N 2 2 273.352 -0.040 20 0 CBADLP C[C@@H]1CC[C@H]([NH2+]CCC(=O)N2CC[NH2+]CC2)C[NH2+]1 ZINC001246107170 825636133 /nfs/dbraw/zinc/63/61/33/825636133.db2.gz GTLNXINTYJWILF-NEPJUHHUSA-N 3 2 254.378 -0.462 20 0 CBADLP COC(=O)[C@@H]1C[C@H]([NH2+]CCCn2cc[nH+]c2)CN1 ZINC001246097764 825636545 /nfs/dbraw/zinc/63/65/45/825636545.db2.gz MPMADPVQOQRCEW-QWRGUYRKSA-N 2 2 252.318 -0.234 20 0 CBADLP COC(=O)[C@@H]1CC[C@@H]([NH2+][C@H]2C[NH2+]CC[C@H]2C)CN1 ZINC001246096998 825636816 /nfs/dbraw/zinc/63/68/16/825636816.db2.gz MSVVHBXSMNYADC-WYUUTHIRSA-N 2 2 255.362 -0.132 20 0 CBADLP COC(=O)[C@@H]1CC[C@@H]([NH2+][C@H]2CCOC23C[NH2+]C3)CN1 ZINC001246122709 825637521 /nfs/dbraw/zinc/63/75/21/825637521.db2.gz BYJWMJKQTGCUDA-VWYCJHECSA-N 2 2 269.345 -1.000 20 0 CBADLP COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCOC23C[NH2+]C3)CN1 ZINC001246122707 825638138 /nfs/dbraw/zinc/63/81/38/825638138.db2.gz BYJWMJKQTGCUDA-GARJFASQSA-N 2 2 269.345 -1.000 20 0 CBADLP COC(=O)C1([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CCC1 ZINC001246130804 825638821 /nfs/dbraw/zinc/63/88/21/825638821.db2.gz VOPLKAXSOROMAG-JTQLQIEISA-N 2 2 253.346 -0.234 20 0 CBADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2C[NH2+][C@@H]3COC[C@H]23)CN1 ZINC001246132419 825638882 /nfs/dbraw/zinc/63/88/82/825638882.db2.gz CQHZKEYUSUYEAA-OBPIAQAESA-N 2 2 283.372 -0.754 20 0 CBADLP CC(C)(C)OC(=O)[C@@H]1C[C@@H](N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)C[NH2+]1 ZINC001246137696 825639051 /nfs/dbraw/zinc/63/90/51/825639051.db2.gz ZVDXQZQRHJKHDB-UJPOAAIJSA-N 2 2 297.399 -0.365 20 0 CBADLP COC(=O)C1([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CCC1 ZINC001246130805 825639148 /nfs/dbraw/zinc/63/91/48/825639148.db2.gz VOPLKAXSOROMAG-SNVBAGLBSA-N 2 2 253.346 -0.234 20 0 CBADLP CC(C)(C)OC(=O)[C@@H]1C[C@H](N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)C[NH2+]1 ZINC001246137695 825639521 /nfs/dbraw/zinc/63/95/21/825639521.db2.gz ZVDXQZQRHJKHDB-OBPIAQAESA-N 2 2 297.399 -0.365 20 0 CBADLP C[C@@H]1C[C@@H]([NH2+]CCC[NH+](CCO)CCO)CC[NH2+]1 ZINC001246163146 825644516 /nfs/dbraw/zinc/64/45/16/825644516.db2.gz WJBWGWNZIYWCTP-OLZOCXBDSA-N 3 2 259.394 -0.607 20 0 CBADLP OCCOCCOCCOCC[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246201297 825649286 /nfs/dbraw/zinc/64/92/86/825649286.db2.gz GEWLJMKUHNJTDL-CYBMUJFWSA-N 2 2 276.377 -0.630 20 0 CBADLP CCOC(=O)C(F)(F)C[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246206365 825649313 /nfs/dbraw/zinc/64/93/13/825649313.db2.gz NNFQDUUEIIKDOS-SECBINFHSA-N 2 2 277.315 -0.132 20 0 CBADLP O=C(NCC[NH2+][C@H]1CCC[NH2+]C1)N1CCOCC1 ZINC001246212375 825650659 /nfs/dbraw/zinc/65/06/59/825650659.db2.gz VAOHYUNGFSJHDP-NSHDSACASA-N 2 2 256.350 -0.630 20 0 CBADLP CCOC(=O)[C@H](CCC[NH3+])N[C@@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001246210559 825650920 /nfs/dbraw/zinc/65/09/20/825650920.db2.gz POXGZYFFUIVKPF-DCAQKATOSA-N 2 2 287.360 -0.850 20 0 CBADLP C[C@H]1CC[C@@H]([NH2+]CCOCCOCCOCC[NH3+])C[NH2+]1 ZINC001246288107 825660439 /nfs/dbraw/zinc/66/04/39/825660439.db2.gz LLEFHPYYMATPJR-UONOGXRCSA-N 3 2 289.420 -0.275 20 0 CBADLP C[C@@H]1CC[C@@H]([NH2+]CCOCCOCCOCC[NH3+])C[NH2+]1 ZINC001246288109 825660486 /nfs/dbraw/zinc/66/04/86/825660486.db2.gz LLEFHPYYMATPJR-ZIAGYGMSSA-N 3 2 289.420 -0.275 20 0 CBADLP OC[C@@H]1C[NH2+]C[C@@H]1[NH2+][C@@H]1CCN[C@@H](C(F)(F)F)C1 ZINC001246303064 825661722 /nfs/dbraw/zinc/66/17/22/825661722.db2.gz DRKIISFCVYVBLR-QCLAVDOMSA-N 2 2 267.295 -0.161 20 0 CBADLP COC(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2C[NH2+]C[C@H]2CO)C1 ZINC001246308981 825663213 /nfs/dbraw/zinc/66/32/13/825663213.db2.gz QGMWCJKEBZUAAH-RHYQMDGZSA-N 2 2 256.346 -0.112 20 0 CBADLP C([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)[C@@H]1CSCC[NH2+]1 ZINC001246335242 825665949 /nfs/dbraw/zinc/66/59/49/825665949.db2.gz HFZCEKAVKFAGDE-GHMZBOCLSA-N 3 2 256.419 -0.625 20 0 CBADLP CCOC(=O)C1(N[C@@H]2C[NH2+][C@](CC)(C(=O)OC)C2)C[NH2+]C1 ZINC001246344994 825667095 /nfs/dbraw/zinc/66/70/95/825667095.db2.gz LSYSVVSQYAYMGX-GWCFXTLKSA-N 2 2 299.371 -0.835 20 0 CBADLP COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CN1 ZINC001246349497 825668001 /nfs/dbraw/zinc/66/80/01/825668001.db2.gz RESOAEJDFNNHFM-HHHUOAJASA-N 2 2 253.346 -0.238 20 0 CBADLP COC(=O)[C@@H]1C[C@H]([NH2+]CCOc2cc[nH+]cc2)CN1 ZINC001246501647 825677434 /nfs/dbraw/zinc/67/74/34/825677434.db2.gz BJFLBBYSYXCVES-JQWIXIFHSA-N 2 2 265.313 -0.047 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](N2CCC([NH+]3CCOCC3)CC2)C[NH2+]1 ZINC001246524258 825679685 /nfs/dbraw/zinc/67/96/85/825679685.db2.gz GUFYSSUGMKWKNT-KGLIPLIRSA-N 2 2 297.399 -0.314 20 0 CBADLP C[C@H]1C[C@H]([N@H+](C)CC(=O)N2CCOCC2)CC[NH2+]1 ZINC001246524307 825680116 /nfs/dbraw/zinc/68/01/16/825680116.db2.gz HQRYMBPIXHDMNF-NWDGAFQWSA-N 2 2 255.362 -0.083 20 0 CBADLP C[C@H]1C[C@H]([N@@H+](C)CC(=O)N2CCOCC2)CC[NH2+]1 ZINC001246524307 825680121 /nfs/dbraw/zinc/68/01/21/825680121.db2.gz HQRYMBPIXHDMNF-NWDGAFQWSA-N 2 2 255.362 -0.083 20 0 CBADLP OC[C@@H]1CC(F)(F)C[N@@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246523481 825680228 /nfs/dbraw/zinc/68/02/28/825680228.db2.gz BPGWLRKQXGQQLJ-ZJUUUORDSA-N 2 2 261.316 -0.218 20 0 CBADLP OC[C@@H]1CC(F)(F)C[N@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246523481 825680229 /nfs/dbraw/zinc/68/02/29/825680229.db2.gz BPGWLRKQXGQQLJ-ZJUUUORDSA-N 2 2 261.316 -0.218 20 0 CBADLP COC(=O)[C@@H]1C[C@H]([N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)CN1 ZINC001246548340 825683813 /nfs/dbraw/zinc/68/38/13/825683813.db2.gz GENWKUUEPDLRLX-WYUUTHIRSA-N 2 2 255.362 -0.193 20 0 CBADLP COC(=O)[C@@H]1C[C@H]([N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)CN1 ZINC001246548340 825683822 /nfs/dbraw/zinc/68/38/22/825683822.db2.gz GENWKUUEPDLRLX-WYUUTHIRSA-N 2 2 255.362 -0.193 20 0 CBADLP CC[C@]1(C(=O)OC)C[C@H](N2CCC[C@](O)(C[NH3+])CC2)C[NH2+]1 ZINC001246556444 825684576 /nfs/dbraw/zinc/68/45/76/825684576.db2.gz ZYWUUDSYMPUJAO-NWANDNLSSA-N 2 2 299.415 -0.154 20 0 CBADLP CC[C@]1(C(=O)OC)C[C@H](N2CCC[C@@](O)(C[NH3+])CC2)C[NH2+]1 ZINC001246556442 825685239 /nfs/dbraw/zinc/68/52/39/825685239.db2.gz ZYWUUDSYMPUJAO-AEGPPILISA-N 2 2 299.415 -0.154 20 0 CBADLP COC(=O)[C@@H]1C[C@H]([N@@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)CN1 ZINC001246567327 825687287 /nfs/dbraw/zinc/68/72/87/825687287.db2.gz XISZLVPKJCOVPS-BJDJZHNGSA-N 2 2 255.362 -0.051 20 0 CBADLP COC(=O)[C@@H]1C[C@H]([N@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)CN1 ZINC001246567327 825687290 /nfs/dbraw/zinc/68/72/90/825687290.db2.gz XISZLVPKJCOVPS-BJDJZHNGSA-N 2 2 255.362 -0.051 20 0 CBADLP COC(=O)[C@@H]1C[C@H](N2CCC(F)(F)[C@@H]([NH3+])C2)C[NH2+]1 ZINC001246579712 825690561 /nfs/dbraw/zinc/69/05/61/825690561.db2.gz DCKPQZJAYNWCLF-CIUDSAMLSA-N 2 2 263.288 -0.442 20 0 CBADLP COC(=O)[C@@H]1C[C@H](N2CCC(F)(F)[C@H]([NH3+])C2)C[NH2+]1 ZINC001246579728 825690719 /nfs/dbraw/zinc/69/07/19/825690719.db2.gz DCKPQZJAYNWCLF-XHNCKOQMSA-N 2 2 263.288 -0.442 20 0 CBADLP COC(=O)[C@H]1C[C@@H](N2CCC(F)(F)[C@H]([NH3+])C2)C[NH2+]1 ZINC001246579722 825691032 /nfs/dbraw/zinc/69/10/32/825691032.db2.gz DCKPQZJAYNWCLF-IWSPIJDZSA-N 2 2 263.288 -0.442 20 0 CBADLP CCOC(=O)[C@@H]1C[C@@H]([NH+]2CC(C)(C[NH3+])C2)CCN1 ZINC001246595551 825692369 /nfs/dbraw/zinc/69/23/69/825692369.db2.gz IGWMRJMCVGMJSY-QWRGUYRKSA-N 2 2 255.362 -0.049 20 0 CBADLP CC[C@]1(C(=O)OC)C[C@@H](N2CC[NH2+]C[C@]23CC[NH2+]C3)C[NH2+]1 ZINC001246627302 825697855 /nfs/dbraw/zinc/69/78/55/825697855.db2.gz JBBYPAIEKBVSAM-BPLDGKMQSA-N 3 2 296.415 -0.693 20 0 CBADLP CC[C@]1(C(=O)OC)C[C@@H](N2CCNC[C@]23CC[NH2+]C3)C[NH2+]1 ZINC001246627302 825697860 /nfs/dbraw/zinc/69/78/60/825697860.db2.gz JBBYPAIEKBVSAM-BPLDGKMQSA-N 2 2 296.415 -0.693 20 0 CBADLP C1CC2(CC[NH+]([C@H]3CCNC4(C[NH2+]C4)C3)CC2)[NH2+]1 ZINC001246650346 825701984 /nfs/dbraw/zinc/70/19/84/825701984.db2.gz TZIWXQJTRPZPLX-LBPRGKRZSA-N 3 2 250.390 -0.092 20 0 CBADLP CC(=O)N1CC[C@H]([N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)C1 ZINC001246645125 825702191 /nfs/dbraw/zinc/70/21/91/825702191.db2.gz TVSVGOPIKSPOQS-STQMWFEESA-N 2 2 252.362 -0.756 20 0 CBADLP CC(=O)N1CC[C@H]([N@H+]2CCN[C@]3(CC[NH2+]C3)C2)C1 ZINC001246645125 825702196 /nfs/dbraw/zinc/70/21/96/825702196.db2.gz TVSVGOPIKSPOQS-STQMWFEESA-N 2 2 252.362 -0.756 20 0 CBADLP CC(=O)N1CC[C@H]([N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)C1 ZINC001246645123 825702890 /nfs/dbraw/zinc/70/28/90/825702890.db2.gz TVSVGOPIKSPOQS-QWHCGFSZSA-N 2 2 252.362 -0.756 20 0 CBADLP CC(=O)N1CC[C@H]([N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)C1 ZINC001246645123 825702892 /nfs/dbraw/zinc/70/28/92/825702892.db2.gz TVSVGOPIKSPOQS-QWHCGFSZSA-N 2 2 252.362 -0.756 20 0 CBADLP C1[NH2+]CC12C[C@@H]([N@@H+]1CCO[C@H]3C[NH2+]CC[C@@H]31)CCN2 ZINC001246661542 825703878 /nfs/dbraw/zinc/70/38/78/825703878.db2.gz GAACQINNFGWNLS-AVGNSLFASA-N 3 2 266.389 -0.857 20 0 CBADLP C1[NH2+]CC12C[C@@H]([N@H+]1CCO[C@H]3C[NH2+]CC[C@@H]31)CCN2 ZINC001246661542 825703881 /nfs/dbraw/zinc/70/38/81/825703881.db2.gz GAACQINNFGWNLS-AVGNSLFASA-N 3 2 266.389 -0.857 20 0 CBADLP COC(=O)[C@@H]1C[C@H](N2CC[NH+](CC3CC3)CC2)C[NH2+]1 ZINC001246788687 825710337 /nfs/dbraw/zinc/71/03/37/825710337.db2.gz VNGLLIJKNSXVDX-STQMWFEESA-N 2 2 267.373 -0.083 20 0 CBADLP COC(=O)[C@@H]1C[C@H](N2CC[NH+](C[C@H]3CCCO3)CC2)C[NH2+]1 ZINC001246774851 825710686 /nfs/dbraw/zinc/71/06/86/825710686.db2.gz GVJWRZUHDSRKSV-MJBXVCDLSA-N 2 2 297.399 -0.314 20 0 CBADLP COC(=O)[C@@H]1C[C@H](N2CC([N@H+](C)[C@H]3CCOC3)C2)C[NH2+]1 ZINC001246819790 825715752 /nfs/dbraw/zinc/71/57/52/825715752.db2.gz JSLAAOIWDRGQCF-GVXVVHGQSA-N 2 2 283.372 -0.705 20 0 CBADLP COC(=O)[C@@H]1C[C@H](N2CC([N@@H+](C)[C@H]3CCOC3)C2)C[NH2+]1 ZINC001246819790 825715756 /nfs/dbraw/zinc/71/57/56/825715756.db2.gz JSLAAOIWDRGQCF-GVXVVHGQSA-N 2 2 283.372 -0.705 20 0 CBADLP COC(=O)[C@H]([NH3+])C1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC001246861756 825724386 /nfs/dbraw/zinc/72/43/86/825724386.db2.gz DGLHXTXOTJIPAJ-GFCCVEGCSA-N 3 2 255.362 -0.049 20 0 CBADLP Cn1cc[nH+]c1CCNC(=S)NCC[NH+](C)C ZINC001249853722 825750827 /nfs/dbraw/zinc/75/08/27/825750827.db2.gz UEBBTWNWGTUQGO-UHFFFAOYSA-N 2 2 255.391 -0.012 20 0 CBADLP COC(=O)[C@@H]1C[N@@H+](C2CCC3(C[NH2+]C3)CC2)C[C@@H]1[NH3+] ZINC001246934682 825733812 /nfs/dbraw/zinc/73/38/12/825733812.db2.gz VWGQTKMXWMUYFJ-NEPJUHHUSA-N 3 2 267.373 -0.049 20 0 CBADLP COC(=O)[C@@H]1C[N@H+](C2CCC3(C[NH2+]C3)CC2)C[C@@H]1[NH3+] ZINC001246934682 825733817 /nfs/dbraw/zinc/73/38/17/825733817.db2.gz VWGQTKMXWMUYFJ-NEPJUHHUSA-N 3 2 267.373 -0.049 20 0 CBADLP CC[N@H+](C[C@H]1CC[NH2+]C1)[C@@H]1CN[C@H](C(=O)OC)C1 ZINC001246935357 825734041 /nfs/dbraw/zinc/73/40/41/825734041.db2.gz HHQKXDPLIPSQGY-SRVKXCTJSA-N 2 2 255.362 -0.179 20 0 CBADLP CC[N@@H+](C[C@H]1CC[NH2+]C1)[C@@H]1CN[C@H](C(=O)OC)C1 ZINC001246935357 825734044 /nfs/dbraw/zinc/73/40/44/825734044.db2.gz HHQKXDPLIPSQGY-SRVKXCTJSA-N 2 2 255.362 -0.179 20 0 CBADLP C[NH+]1CCN(C(=[NH2+])NC[C@@H](O)C(F)(F)F)CC1 ZINC001250990760 825755133 /nfs/dbraw/zinc/75/51/33/825755133.db2.gz AHOQBCGOMDGVJI-SSDOTTSWSA-N 2 2 254.256 -0.319 20 0 CBADLP C1[NH2+]CC12C[C@H]([N@@H+]1CC[C@]3(C1)C[NH2+]CCO3)CCN2 ZINC001246990650 825739465 /nfs/dbraw/zinc/73/94/65/825739465.db2.gz XAYUKFGOTBRJQB-TZMCWYRMSA-N 3 2 266.389 -0.855 20 0 CBADLP C1[NH2+]CC12C[C@H]([N@H+]1CC[C@]3(C1)C[NH2+]CCO3)CCN2 ZINC001246990650 825739469 /nfs/dbraw/zinc/73/94/69/825739469.db2.gz XAYUKFGOTBRJQB-TZMCWYRMSA-N 3 2 266.389 -0.855 20 0 CBADLP CS(=O)(=O)c1ccc(-c2noc(C[C@@H]([NH3+])C[NH3+])n2)cc1 ZINC001249129402 825747770 /nfs/dbraw/zinc/74/77/70/825747770.db2.gz ODQVQRAVTODJBB-SECBINFHSA-N 2 2 296.352 -0.031 20 0 CBADLP O=C(CC[NH2+]C[C@@H](O)C(F)(F)F)NCCc1c[nH+]c[nH]1 ZINC001250995707 825755158 /nfs/dbraw/zinc/75/51/58/825755158.db2.gz XQCPXTGZYRTXQC-SECBINFHSA-N 2 2 294.277 -0.029 20 0 CBADLP C[NH+](C)CCn1cc(NC[C@@H](O)C[NH+]2CCOCC2)cn1 ZINC001251001269 825756739 /nfs/dbraw/zinc/75/67/39/825756739.db2.gz GGLYWYFEJIPIEE-CQSZACIVSA-N 2 2 297.403 -0.450 20 0 CBADLP OC[C@@H](O)C[NH+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001252057099 825818870 /nfs/dbraw/zinc/81/88/70/825818870.db2.gz FGENHQGYOJZTLT-KFWWJZLASA-N 2 2 277.368 -0.202 20 0 CBADLP OC[C@@H](O)C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001252068569 825828249 /nfs/dbraw/zinc/82/82/49/825828249.db2.gz KBQKZRMMWFULHS-HNNXBMFYSA-N 2 2 280.368 -0.038 20 0 CBADLP CC[NH+](CC)C[C@@H](O)C[NH+]1CCC2(CNC(=O)N2)CC1 ZINC001253193252 825904233 /nfs/dbraw/zinc/90/42/33/825904233.db2.gz FKAMMPBBHKGOHZ-GFCCVEGCSA-N 2 2 284.404 -0.164 20 0 CBADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CC[C@@H](O)[C@](C)(CO)C1 ZINC001253389644 825910482 /nfs/dbraw/zinc/91/04/82/825910482.db2.gz HGDRYGIHDONBMQ-BZPMIXESSA-N 2 2 274.405 -0.199 20 0 CBADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CC[C@@H](O)[C@](C)(CO)C1 ZINC001253389644 825910487 /nfs/dbraw/zinc/91/04/87/825910487.db2.gz HGDRYGIHDONBMQ-BZPMIXESSA-N 2 2 274.405 -0.199 20 0 CBADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC001253390420 825912622 /nfs/dbraw/zinc/91/26/22/825912622.db2.gz SSAYUHWUOYJIMU-QJPTWQEYSA-N 2 2 260.378 -0.590 20 0 CBADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC001253390420 825912628 /nfs/dbraw/zinc/91/26/28/825912628.db2.gz SSAYUHWUOYJIMU-QJPTWQEYSA-N 2 2 260.378 -0.590 20 0 CBADLP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]CC(=O)N1CCOCC1 ZINC001253404520 825913914 /nfs/dbraw/zinc/91/39/14/825913914.db2.gz YEKFGYZYUPYFAK-NSHDSACASA-N 2 2 273.377 -0.816 20 0 CBADLP CCOC(=O)CNC(=O)C[NH2+]C[C@H](O)C[NH2+]C(C)(C)C ZINC001253405350 825914149 /nfs/dbraw/zinc/91/41/49/825914149.db2.gz WYHGDZMJHHWRNP-JTQLQIEISA-N 2 2 289.376 -0.996 20 0 CBADLP CCOC(=O)C[NH+]1CCC(N(C)OCC[NH3+])CC1 ZINC001254395905 825960810 /nfs/dbraw/zinc/96/08/10/825960810.db2.gz DDJYYXQAIKRFMO-UHFFFAOYSA-N 2 2 259.350 -0.164 20 0 CBADLP CC(=O)N1CCC(NC(=[NH2+])N2CC[NH+](C)CC2)CC1 ZINC001254417099 825962119 /nfs/dbraw/zinc/96/21/19/825962119.db2.gz OAVZBQYBVLJXNI-UHFFFAOYSA-N 2 2 267.377 -0.231 20 0 CBADLP CC(=O)N1CCC([NH+]2CC(N3CC[NH+](C)CC3)C2)CC1 ZINC001254430855 825962853 /nfs/dbraw/zinc/96/28/53/825962853.db2.gz CYDYMPRJIPRZMF-UHFFFAOYSA-N 2 2 280.416 -0.071 20 0 CBADLP [NH3+]CCN(CC[NH2+][C@@H]1CC2CC[NH+](CC2)C1)N(O)N=O ZINC001254843008 825969433 /nfs/dbraw/zinc/96/94/33/825969433.db2.gz DKMLAHNYHCAIAP-GFCCVEGCSA-N 3 2 286.380 -0.391 20 0 CBADLP CCOC(=O)N1CC[C@H](NC(=[NH2+])N2CC[NH+](C)CC2)C1 ZINC001256017063 825997471 /nfs/dbraw/zinc/99/74/71/825997471.db2.gz MEERPZMNPIJUSI-NSHDSACASA-N 2 2 283.376 -0.011 20 0 CBADLP CCOC(=O)N1CC[C@@H](NC(=[NH2+])N2CC[NH+](C)CC2)C1 ZINC001256017061 825997797 /nfs/dbraw/zinc/99/77/97/825997797.db2.gz MEERPZMNPIJUSI-LLVKDONJSA-N 2 2 283.376 -0.011 20 0 CBADLP CCOC(=O)N1CCC([NH2+][C@@H]2COC[C@H]2[NH3+])CC1 ZINC001256232382 826005887 /nfs/dbraw/zinc/00/58/87/826005887.db2.gz RJIFESYDWPNQCY-GHMZBOCLSA-N 2 2 257.334 -0.077 20 0 CBADLP [NH3+]C[C@]1([NH2+]C2CCS(=O)(=O)CC2)CN2CCC1CC2 ZINC001256379762 826020221 /nfs/dbraw/zinc/02/02/21/826020221.db2.gz BTXMCJUXMMKTBK-ZDUSSCGKSA-N 2 2 287.429 -0.424 20 0 CBADLP C[NH+]1CCN(C[C@@H](O)C[NH2+]Cc2cc[nH]n2)CC1 ZINC001261436222 826511930 /nfs/dbraw/zinc/51/19/30/826511930.db2.gz UOYYFQBDJJBABN-LBPRGKRZSA-N 2 2 253.350 -0.892 20 0 CBADLP COCCOC[C@@H](O)C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC001261436630 826512448 /nfs/dbraw/zinc/51/24/48/826512448.db2.gz GZHULZZXRKQDMK-NEPJUHHUSA-N 2 2 269.345 -0.189 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001261492602 826524401 /nfs/dbraw/zinc/52/44/01/826524401.db2.gz LWMBXOWBKSTEEK-HUUCEWRRSA-N 2 2 282.432 -0.313 20 0 CBADLP C[C@H](CNC(=O)C[C@H]1CC[NH2+]C1)[NH+]1CCN(C)CC1 ZINC001261643271 826552635 /nfs/dbraw/zinc/55/26/35/826552635.db2.gz MSVVBALHGUDXPM-CHWSQXEVSA-N 2 2 268.405 -0.262 20 0 CBADLP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC001261839038 826596304 /nfs/dbraw/zinc/59/63/04/826596304.db2.gz UQAWKDMNDHBSMB-QWRGUYRKSA-N 2 2 293.371 -0.458 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@H](C)[NH+](C)C ZINC001262006269 826617387 /nfs/dbraw/zinc/61/73/87/826617387.db2.gz IZJDZKURYXRIJM-UWVGGRQHSA-N 2 2 257.334 -0.700 20 0 CBADLP C[NH+]1CCN(CCCCNC(=O)[C@@]2(C)C[NH2+]CCO2)CC1 ZINC001262007963 826617921 /nfs/dbraw/zinc/61/79/21/826617921.db2.gz XCGJZZNZPKYGTM-OAHLLOKOSA-N 2 2 298.431 -0.491 20 0 CBADLP Cn1c[nH+]cc1CNC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC001262098286 826636375 /nfs/dbraw/zinc/63/63/75/826636375.db2.gz ZVGAKPWXMKPTKE-UHFFFAOYSA-N 2 2 265.317 -0.696 20 0 CBADLP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@H]1C[N@H+](C)CCN1C ZINC001262155764 826644631 /nfs/dbraw/zinc/64/46/31/826644631.db2.gz UYQMLQDZDTZPJJ-VXGBXAGGSA-N 2 2 265.361 -0.366 20 0 CBADLP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@H]1C[N@@H+](C)CCN1C ZINC001262155764 826644633 /nfs/dbraw/zinc/64/46/33/826644633.db2.gz UYQMLQDZDTZPJJ-VXGBXAGGSA-N 2 2 265.361 -0.366 20 0 CBADLP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@@H]1C[N@H+](C)CCN1C ZINC001262155761 826645279 /nfs/dbraw/zinc/64/52/79/826645279.db2.gz UYQMLQDZDTZPJJ-NEPJUHHUSA-N 2 2 265.361 -0.366 20 0 CBADLP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@@H]1C[N@@H+](C)CCN1C ZINC001262155761 826645284 /nfs/dbraw/zinc/64/52/84/826645284.db2.gz UYQMLQDZDTZPJJ-NEPJUHHUSA-N 2 2 265.361 -0.366 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCN1C(=O)N[C@@H](C[NH+](C)C)C1=O ZINC001262199649 826659093 /nfs/dbraw/zinc/65/90/93/826659093.db2.gz VHJCTCLPJFQAQP-MNOVXSKESA-N 2 2 284.360 -0.811 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCN1C(=O)N[C@@H](C[NH+](C)C)C1=O ZINC001262199649 826659097 /nfs/dbraw/zinc/65/90/97/826659097.db2.gz VHJCTCLPJFQAQP-MNOVXSKESA-N 2 2 284.360 -0.811 20 0 CBADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)NCC2([NH3+])CC2)C1 ZINC001262551728 826706878 /nfs/dbraw/zinc/70/68/78/826706878.db2.gz FHSCEOFNSHQFNH-SNVBAGLBSA-N 2 2 291.355 -0.657 20 0 CBADLP C[C@H](C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1)C[NH+](C)C ZINC001262565848 826709655 /nfs/dbraw/zinc/70/96/55/826709655.db2.gz XMKVXDIOBPFVHE-KGLIPLIRSA-N 3 2 272.437 -0.618 20 0 CBADLP C[C@H](CC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)[NH+](C)C ZINC001262565537 826709992 /nfs/dbraw/zinc/70/99/92/826709992.db2.gz OGCFPJWNXMIUIS-ZIAGYGMSSA-N 3 2 272.437 -0.476 20 0 CBADLP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1c1cc[nH+]c(N)n1 ZINC001262699606 826723798 /nfs/dbraw/zinc/72/37/98/826723798.db2.gz GCCVBMWPBMRDNG-NXEZZACHSA-N 2 2 251.334 -0.050 20 0 CBADLP [NH3+]C[C@@H](O)CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001263158872 826746345 /nfs/dbraw/zinc/74/63/45/826746345.db2.gz MPSBIMKDZMGOMU-SNVBAGLBSA-N 2 2 252.318 -0.802 20 0 CBADLP CC(C)(C(=O)N1CCC[C@]([NH3+])(CO)C1)c1c[nH+]c[nH]1 ZINC001263212502 826754281 /nfs/dbraw/zinc/75/42/81/826754281.db2.gz UXQQULNYEQWJPR-CYBMUJFWSA-N 2 2 266.345 -0.001 20 0 CBADLP C[C@@H](O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)Cn1cc[nH+]c1 ZINC001264382396 826806474 /nfs/dbraw/zinc/80/64/74/826806474.db2.gz JPJJFHLWBOUIDR-VXGBXAGGSA-N 2 2 266.345 -0.203 20 0 CBADLP C[C@@H](O)C[N@H+]1CC[C@@H]1CN(C)C(=O)Cn1cc[nH+]c1 ZINC001264382396 826806484 /nfs/dbraw/zinc/80/64/84/826806484.db2.gz JPJJFHLWBOUIDR-VXGBXAGGSA-N 2 2 266.345 -0.203 20 0 CBADLP C[N@H+](CCO)CCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001265004116 826831200 /nfs/dbraw/zinc/83/12/00/826831200.db2.gz JEQHXXLGIJZNAM-LBPRGKRZSA-N 2 2 280.372 -0.124 20 0 CBADLP C[N@@H+](CCO)CCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001265004116 826831213 /nfs/dbraw/zinc/83/12/13/826831213.db2.gz JEQHXXLGIJZNAM-LBPRGKRZSA-N 2 2 280.372 -0.124 20 0 CBADLP CC[N@H+](CCCNC(=O)Cc1c[nH+]cn1C)CC(N)=O ZINC001265142449 826849783 /nfs/dbraw/zinc/84/97/83/826849783.db2.gz JDZKEGYWORZISW-UHFFFAOYSA-N 2 2 281.360 -0.724 20 0 CBADLP CC[N@@H+](CCCNC(=O)Cc1c[nH+]cn1C)CC(N)=O ZINC001265142449 826849797 /nfs/dbraw/zinc/84/97/97/826849797.db2.gz JDZKEGYWORZISW-UHFFFAOYSA-N 2 2 281.360 -0.724 20 0 CBADLP C[C@@H](O)C[NH2+]CCN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001266749412 827063410 /nfs/dbraw/zinc/06/34/10/827063410.db2.gz SNWNEAAJJDILPY-NEPJUHHUSA-N 2 2 280.372 -0.126 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)[NH2+]CCCO ZINC001266947939 827094769 /nfs/dbraw/zinc/09/47/69/827094769.db2.gz FFUFPSUNOMHPFM-VXGBXAGGSA-N 2 2 280.372 -0.078 20 0 CBADLP CN(CC[NH2+]Cc1cncn1C)C(=O)Cc1c[nH+]cn1C ZINC001266989437 827103757 /nfs/dbraw/zinc/10/37/57/827103757.db2.gz XVIVOJCQGUNXFS-UHFFFAOYSA-N 2 2 290.371 -0.056 20 0 CBADLP CNC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001267393031 827164733 /nfs/dbraw/zinc/16/47/33/827164733.db2.gz QIYGUHBUTGCOMU-NSHDSACASA-N 2 2 293.371 -0.761 20 0 CBADLP CCOCC[NH+]1CC(NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001267670990 827195008 /nfs/dbraw/zinc/19/50/08/827195008.db2.gz YXALSMGAEHSYJX-CYBMUJFWSA-N 2 2 299.415 -0.208 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCOCCO ZINC001267706391 827202740 /nfs/dbraw/zinc/20/27/40/827202740.db2.gz ACBPSAIZNOJOES-MELADBBJSA-N 2 2 297.399 -0.625 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCOCCO ZINC001267706391 827202746 /nfs/dbraw/zinc/20/27/46/827202746.db2.gz ACBPSAIZNOJOES-MELADBBJSA-N 2 2 297.399 -0.625 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCOCCO ZINC001267706391 827202753 /nfs/dbraw/zinc/20/27/53/827202753.db2.gz ACBPSAIZNOJOES-MELADBBJSA-N 2 2 297.399 -0.625 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCOCCO ZINC001267706391 827202756 /nfs/dbraw/zinc/20/27/56/827202756.db2.gz ACBPSAIZNOJOES-MELADBBJSA-N 2 2 297.399 -0.625 20 0 CBADLP CN(C(=O)CCc1c[nH]c[nH+]1)[C@@H]1CC[N@H+](CCO)C1 ZINC001267766267 827218049 /nfs/dbraw/zinc/21/80/49/827218049.db2.gz GUXUSNRGSSRWNJ-GFCCVEGCSA-N 2 2 266.345 -0.133 20 0 CBADLP CN(C(=O)CCc1c[nH]c[nH+]1)[C@@H]1CC[N@@H+](CCO)C1 ZINC001267766267 827218057 /nfs/dbraw/zinc/21/80/57/827218057.db2.gz GUXUSNRGSSRWNJ-GFCCVEGCSA-N 2 2 266.345 -0.133 20 0 CBADLP CN(C(=O)CCc1c[nH+]c[nH]1)[C@@H]1CC[N@H+](CCO)C1 ZINC001267766267 827218067 /nfs/dbraw/zinc/21/80/67/827218067.db2.gz GUXUSNRGSSRWNJ-GFCCVEGCSA-N 2 2 266.345 -0.133 20 0 CBADLP CN(C(=O)CCc1c[nH+]c[nH]1)[C@@H]1CC[N@@H+](CCO)C1 ZINC001267766267 827218073 /nfs/dbraw/zinc/21/80/73/827218073.db2.gz GUXUSNRGSSRWNJ-GFCCVEGCSA-N 2 2 266.345 -0.133 20 0 CBADLP C[C@H](C[NH2+]CCO)N(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001268072245 827253016 /nfs/dbraw/zinc/25/30/16/827253016.db2.gz SLADVLHMZLZKNG-VXGBXAGGSA-N 2 2 280.372 -0.126 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)NC[C@@H](O)C[NH2+]CCF ZINC001268304802 827288542 /nfs/dbraw/zinc/28/85/42/827288542.db2.gz AZBFBFLIQGSLGZ-JTQLQIEISA-N 2 2 258.297 -0.622 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)NC[C@@H](O)C[NH2+]CCF ZINC001268304802 827288547 /nfs/dbraw/zinc/28/85/47/827288547.db2.gz AZBFBFLIQGSLGZ-JTQLQIEISA-N 2 2 258.297 -0.622 20 0 CBADLP O=C(NC[C@@H](O)C[NH2+]CCF)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001268309298 827291498 /nfs/dbraw/zinc/29/14/98/827291498.db2.gz UHDCIYQULSJAGL-IVZWLZJFSA-N 2 2 270.308 -0.451 20 0 CBADLP CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001268313443 827294148 /nfs/dbraw/zinc/29/41/48/827294148.db2.gz DONQHHKGUOJKFC-JQWIXIFHSA-N 2 2 266.345 -0.468 20 0 CBADLP CCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001268316469 827295742 /nfs/dbraw/zinc/29/57/42/827295742.db2.gz SSYNRALSJVMIMQ-VXGBXAGGSA-N 2 2 280.372 -0.078 20 0 CBADLP C[C@H](CC[NH2+][C@@H](C)C(N)=O)NC(=O)Cc1[nH]cc[nH+]1 ZINC001268411476 827325266 /nfs/dbraw/zinc/32/52/66/827325266.db2.gz NZGWQEYECMEIMW-BDAKNGLRSA-N 2 2 267.333 -0.690 20 0 CBADLP CCN(CC[NH2+]C[C@H](C)O)C(=O)Cn1cc[nH+]c1 ZINC001268503208 827345259 /nfs/dbraw/zinc/34/52/59/827345259.db2.gz ZZUOPMTYGTURDQ-NSHDSACASA-N 2 2 254.334 -0.298 20 0 CBADLP Cn1cc(C[NH2+]C/C=C\CNC(=O)[C@H]2CCC[N@@H+]2C)nn1 ZINC001268520601 827351917 /nfs/dbraw/zinc/35/19/17/827351917.db2.gz DIJRQEPNRRLZOZ-DHCBQETCSA-N 2 2 292.387 -0.329 20 0 CBADLP Cn1cc(C[NH2+]C/C=C\CNC(=O)[C@H]2CCC[N@H+]2C)nn1 ZINC001268520601 827351924 /nfs/dbraw/zinc/35/19/24/827351924.db2.gz DIJRQEPNRRLZOZ-DHCBQETCSA-N 2 2 292.387 -0.329 20 0 CBADLP NC(=O)C[NH2+]C/C=C/CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001268559191 827364910 /nfs/dbraw/zinc/36/49/10/827364910.db2.gz BULGPEVXGHRJCC-FMBMQGQPSA-N 2 2 291.355 -0.807 20 0 CBADLP CNC(=O)C[NH2+]C/C=C\CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001268600397 827375862 /nfs/dbraw/zinc/37/58/62/827375862.db2.gz ZPLVTEQBTDWOLR-MVZIDQBPSA-N 2 2 293.371 -0.158 20 0 CBADLP CNC(=O)C[NH2+]C/C=C/CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001268600398 827376661 /nfs/dbraw/zinc/37/66/61/827376661.db2.gz ZPLVTEQBTDWOLR-PCAWENJQSA-N 2 2 293.371 -0.158 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC/C=C/C[NH2+]CCCO ZINC001268613611 827380598 /nfs/dbraw/zinc/38/05/98/827380598.db2.gz OOVHHBFYTSSZLZ-NSCUHMNNSA-N 2 2 266.345 -0.393 20 0 CBADLP CC[C@@H](CNC(=O)Cc1[nH]c[nH+]c1C)[NH2+]CCO ZINC001269498210 827515030 /nfs/dbraw/zinc/51/50/30/827515030.db2.gz PZPNKTPGRAKTHD-JTQLQIEISA-N 2 2 254.334 -0.263 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NCC1([NH2+]CCCO)CC1 ZINC001269513124 827516105 /nfs/dbraw/zinc/51/61/05/827516105.db2.gz PEZBRMWFKVWZTB-UHFFFAOYSA-N 2 2 252.318 -0.427 20 0 CBADLP COCC[NH2+]C1(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001269544346 827517469 /nfs/dbraw/zinc/51/74/69/827517469.db2.gz CLABIWIYBUUCAT-UHFFFAOYSA-N 2 2 252.318 -0.232 20 0 CBADLP NC(=O)C[NH2+]CCC1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001269928096 827538884 /nfs/dbraw/zinc/53/88/84/827538884.db2.gz OTLCPBNIOVUNOE-UHFFFAOYSA-N 2 2 293.371 -0.344 20 0 CBADLP C[C@H](O)C[NH2+]C[C@@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001270159364 827551676 /nfs/dbraw/zinc/55/16/76/827551676.db2.gz RXIIMURBSFEYRG-QWRGUYRKSA-N 2 2 266.345 -0.086 20 0 CBADLP C[NH+](C)CCN1CC2(C1)CN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001270179768 827552891 /nfs/dbraw/zinc/55/28/91/827552891.db2.gz ORTCUIGVOUXUAT-UHFFFAOYSA-N 2 2 277.372 -0.342 20 0 CBADLP C[NH+](C)CCN1CCC12CN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001270179151 827553016 /nfs/dbraw/zinc/55/30/16/827553016.db2.gz GDFZTFDBQBNHJG-UHFFFAOYSA-N 2 2 277.372 -0.200 20 0 CBADLP C[N@@H+]1C[C@H]2C[C@@H](C1)N(C(=O)[C@H](CO)n1cc[nH+]c1)C2 ZINC001270400244 827562620 /nfs/dbraw/zinc/56/26/20/827562620.db2.gz ZUFGEJQLXOPGCL-WOPDTQHZSA-N 2 2 264.329 -0.421 20 0 CBADLP C[N@H+]1C[C@H]2C[C@@H](C1)N(C(=O)[C@H](CO)n1cc[nH+]c1)C2 ZINC001270400244 827562623 /nfs/dbraw/zinc/56/26/23/827562623.db2.gz ZUFGEJQLXOPGCL-WOPDTQHZSA-N 2 2 264.329 -0.421 20 0 CBADLP C[C@@]1(C[NH2+]CCO)CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001270805969 827597891 /nfs/dbraw/zinc/59/78/91/827597891.db2.gz NCXRSSKRIRDFBG-ZDUSSCGKSA-N 2 2 266.345 -0.227 20 0 CBADLP C[NH+]1CCO[C@]2(CCCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC001270978044 827611525 /nfs/dbraw/zinc/61/15/25/827611525.db2.gz UBKLAGHEYLMDNU-DZGCQCFKSA-N 2 2 297.399 -0.360 20 0 CBADLP C[NH+]1CCO[C@]2(CCCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001270978044 827611528 /nfs/dbraw/zinc/61/15/28/827611528.db2.gz UBKLAGHEYLMDNU-DZGCQCFKSA-N 2 2 297.399 -0.360 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N2CCC[C@]3(C2)C[N@H+](C)CCO3)C1 ZINC001270978044 827611532 /nfs/dbraw/zinc/61/15/32/827611532.db2.gz UBKLAGHEYLMDNU-DZGCQCFKSA-N 2 2 297.399 -0.360 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N2CCC[C@]3(C2)C[N@@H+](C)CCO3)C1 ZINC001270978044 827611538 /nfs/dbraw/zinc/61/15/38/827611538.db2.gz UBKLAGHEYLMDNU-DZGCQCFKSA-N 2 2 297.399 -0.360 20 0 CBADLP CC[NH+]1CCN(CC(=O)N2C[C@@H]3C[N@@H+](C)C[C@H](C2)O3)CC1 ZINC001271905277 827733579 /nfs/dbraw/zinc/73/35/79/827733579.db2.gz LQLIJMAYNGRSND-OKILXGFUSA-N 2 2 296.415 -0.835 20 0 CBADLP CC[NH+]1CCN(CC(=O)N2C[C@@H]3C[N@H+](C)C[C@H](C2)O3)CC1 ZINC001271905277 827733588 /nfs/dbraw/zinc/73/35/88/827733588.db2.gz LQLIJMAYNGRSND-OKILXGFUSA-N 2 2 296.415 -0.835 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)NC[C@@H](O)C[NH2+]CCF ZINC001272479730 827804741 /nfs/dbraw/zinc/80/47/41/827804741.db2.gz QJJAKXZLGHPTKV-JTQLQIEISA-N 2 2 272.324 -0.611 20 0 CBADLP C[NH+](C)CCN1CC2(C[NH+](CC3CC3)C2)OCC1=O ZINC001272483633 827806190 /nfs/dbraw/zinc/80/61/90/827806190.db2.gz IPBKPSBXABOLEB-UHFFFAOYSA-N 2 2 267.373 -0.129 20 0 CBADLP CN1C[C@]2(CC[N@H+](Cc3c[nH+]ccc3N)C2)OCC1=O ZINC001272822209 827843096 /nfs/dbraw/zinc/84/30/96/827843096.db2.gz UBBBYSLHYCATHY-AWEZNQCLSA-N 2 2 276.340 -0.073 20 0 CBADLP CN1C[C@]2(CC[N@@H+](Cc3c[nH+]ccc3N)C2)OCC1=O ZINC001272822209 827843101 /nfs/dbraw/zinc/84/31/01/827843101.db2.gz UBBBYSLHYCATHY-AWEZNQCLSA-N 2 2 276.340 -0.073 20 0 CBADLP C[C@H](CC[NH2+]CCO)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001272872546 827846177 /nfs/dbraw/zinc/84/61/77/827846177.db2.gz BOBRJWDIJYOBLB-VXGBXAGGSA-N 2 2 280.372 -0.078 20 0 CBADLP C[C@@H](O)C[NH2+]CC[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001273045227 827858359 /nfs/dbraw/zinc/85/83/59/827858359.db2.gz QZCGNMYHMJYXNS-NXEZZACHSA-N 2 2 254.334 -0.183 20 0 CBADLP C[NH+](C)CCN1CC2(C[NH+](CC3(C)COC3)C2)OCC1=O ZINC001273065082 827860143 /nfs/dbraw/zinc/86/01/43/827860143.db2.gz XCLOZFCLLXANCE-UHFFFAOYSA-N 2 2 297.399 -0.502 20 0 CBADLP C[N@@H+]1CCO[C@@]2(CCCN(C(=O)C[NH+]3CC[C@@H](O)C3)C2)C1 ZINC001273069986 827860238 /nfs/dbraw/zinc/86/02/38/827860238.db2.gz OVYZWRPFBFZIAE-HIFRSBDPSA-N 2 2 297.399 -0.624 20 0 CBADLP C[N@H+]1CCO[C@@]2(CCCN(C(=O)C[NH+]3CC[C@@H](O)C3)C2)C1 ZINC001273069986 827860246 /nfs/dbraw/zinc/86/02/46/827860246.db2.gz OVYZWRPFBFZIAE-HIFRSBDPSA-N 2 2 297.399 -0.624 20 0 CBADLP C[NH+]1CCO[C@@]2(CCCN(C(=O)C[N@@H+]3CC[C@@H](O)C3)C2)C1 ZINC001273069986 827860253 /nfs/dbraw/zinc/86/02/53/827860253.db2.gz OVYZWRPFBFZIAE-HIFRSBDPSA-N 2 2 297.399 -0.624 20 0 CBADLP C[NH+]1CCO[C@@]2(CCCN(C(=O)C[N@H+]3CC[C@@H](O)C3)C2)C1 ZINC001273069986 827860262 /nfs/dbraw/zinc/86/02/62/827860262.db2.gz OVYZWRPFBFZIAE-HIFRSBDPSA-N 2 2 297.399 -0.624 20 0 CBADLP CN(C)CC[N@@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273108934 827865869 /nfs/dbraw/zinc/86/58/69/827865869.db2.gz WOUVQGFEHHYZMO-OAHLLOKOSA-N 2 2 298.431 -0.587 20 0 CBADLP CN(C)CC[N@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273108934 827865874 /nfs/dbraw/zinc/86/58/74/827865874.db2.gz WOUVQGFEHHYZMO-OAHLLOKOSA-N 2 2 298.431 -0.587 20 0 CBADLP C[N@@H+]1CC[C@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001273524743 827907486 /nfs/dbraw/zinc/90/74/86/827907486.db2.gz GZZZXRNGWPSWAQ-ZDUSSCGKSA-N 2 2 264.329 -0.184 20 0 CBADLP C[N@H+]1CC[C@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001273524743 827907491 /nfs/dbraw/zinc/90/74/91/827907491.db2.gz GZZZXRNGWPSWAQ-ZDUSSCGKSA-N 2 2 264.329 -0.184 20 0 CBADLP CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CC(=O)N1CC[NH+](C)CC1 ZINC001273835138 827929641 /nfs/dbraw/zinc/92/96/41/827929641.db2.gz CZXQGFYZYGFFFR-CHWSQXEVSA-N 2 2 294.399 -0.545 20 0 CBADLP CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CC(=O)N1CC[NH+](C)CC1 ZINC001273835138 827929649 /nfs/dbraw/zinc/92/96/49/827929649.db2.gz CZXQGFYZYGFFFR-CHWSQXEVSA-N 2 2 294.399 -0.545 20 0 CBADLP C[NH+](C)CCN1CC[C@@]2(CCC[N@@H+]2CC(N)=O)C1=O ZINC001274062679 827962507 /nfs/dbraw/zinc/96/25/07/827962507.db2.gz USYIODLWULUESH-ZDUSSCGKSA-N 2 2 268.361 -0.900 20 0 CBADLP C[NH+](C)CCN1CC[C@@]2(CCC[N@H+]2CC(N)=O)C1=O ZINC001274062679 827962510 /nfs/dbraw/zinc/96/25/10/827962510.db2.gz USYIODLWULUESH-ZDUSSCGKSA-N 2 2 268.361 -0.900 20 0 CBADLP C[NH+](C)CCN1CC[C@]2(CCC[N@@H+]2CC(N)=O)C1=O ZINC001274062678 827963145 /nfs/dbraw/zinc/96/31/45/827963145.db2.gz USYIODLWULUESH-CYBMUJFWSA-N 2 2 268.361 -0.900 20 0 CBADLP C[NH+](C)CCN1CC[C@]2(CCC[N@H+]2CC(N)=O)C1=O ZINC001274062678 827963151 /nfs/dbraw/zinc/96/31/51/827963151.db2.gz USYIODLWULUESH-CYBMUJFWSA-N 2 2 268.361 -0.900 20 0 CBADLP CC[C@H](C(=O)NC/C=C/C[NH2+]Cc1cn(C)nn1)[NH+](C)C ZINC001274124003 827969393 /nfs/dbraw/zinc/96/93/93/827969393.db2.gz BIAOQIMXWCWAMJ-KTRBRXNASA-N 2 2 294.403 -0.083 20 0 CBADLP CN1CC[C@H]([NH2+]C/C=C/CNC(=O)Cc2c[nH]c[nH+]2)C1=O ZINC001274391788 827986676 /nfs/dbraw/zinc/98/66/76/827986676.db2.gz AKMQPKVPBBFGFM-JDGPPOGSSA-N 2 2 291.355 -0.555 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]C/C=C\CNC(=O)Cc1c[nH+]cn1C ZINC001274499612 827994514 /nfs/dbraw/zinc/99/45/14/827994514.db2.gz WJWDCGZLKCDXIE-WYGGZMRJSA-N 2 2 293.371 -0.641 20 0 CBADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1CC[C@]2(C1)CN(C)C(=O)CO2 ZINC001274655471 828015516 /nfs/dbraw/zinc/01/55/16/828015516.db2.gz KXVKGLWYKRJMFP-DZGCQCFKSA-N 2 2 299.415 -0.378 20 0 CBADLP CC[NH+](CC)C[C@H](O)C[N@H+]1CC[C@]2(C1)CN(C)C(=O)CO2 ZINC001274655471 828015524 /nfs/dbraw/zinc/01/55/24/828015524.db2.gz KXVKGLWYKRJMFP-DZGCQCFKSA-N 2 2 299.415 -0.378 20 0 CBADLP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CC[C@]2(C1)CN(C)C(=O)CO2 ZINC001274655473 828016876 /nfs/dbraw/zinc/01/68/76/828016876.db2.gz KXVKGLWYKRJMFP-UKRRQHHQSA-N 2 2 299.415 -0.378 20 0 CBADLP CC[NH+](CC)C[C@@H](O)C[N@H+]1CC[C@]2(C1)CN(C)C(=O)CO2 ZINC001274655473 828016887 /nfs/dbraw/zinc/01/68/87/828016887.db2.gz KXVKGLWYKRJMFP-UKRRQHHQSA-N 2 2 299.415 -0.378 20 0 CBADLP C[C@@H](C[NH2+]CCO)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001275209938 828067233 /nfs/dbraw/zinc/06/72/33/828067233.db2.gz XFICHYYDTHCHDX-QWRGUYRKSA-N 2 2 266.345 -0.468 20 0 CBADLP C[C@H](C[N@@H+](C)C[C@H](C)O)NC(=O)Cc1c[nH+]cn1C ZINC001275698671 828108832 /nfs/dbraw/zinc/10/88/32/828108832.db2.gz SKBXDFBYGUFJPU-MNOVXSKESA-N 2 2 268.361 -0.220 20 0 CBADLP C[C@H](C[N@H+](C)C[C@H](C)O)NC(=O)Cc1c[nH+]cn1C ZINC001275698671 828108833 /nfs/dbraw/zinc/10/88/33/828108833.db2.gz SKBXDFBYGUFJPU-MNOVXSKESA-N 2 2 268.361 -0.220 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]CCC[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001277306767 828182713 /nfs/dbraw/zinc/18/27/13/828182713.db2.gz ZNXYQHXHCKOFQJ-GHMZBOCLSA-N 2 2 295.387 -0.039 20 0 CBADLP C[C@H](CCC[NH2+][C@H]1CCNC1=O)NC(=O)Cn1cc[nH+]c1 ZINC001277373719 828187105 /nfs/dbraw/zinc/18/71/05/828187105.db2.gz XOWGHRHITGWDRL-NEPJUHHUSA-N 2 2 293.371 -0.354 20 0 CBADLP Cn1nncc1C[N@H+]1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001277601901 828197959 /nfs/dbraw/zinc/19/79/59/828197959.db2.gz DETUXGHHXWYJLG-KGLIPLIRSA-N 2 2 294.403 -0.738 20 0 CBADLP Cn1nncc1C[N@@H+]1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001277601901 828197962 /nfs/dbraw/zinc/19/79/62/828197962.db2.gz DETUXGHHXWYJLG-KGLIPLIRSA-N 2 2 294.403 -0.738 20 0 CBADLP CN(C)C(=O)CC[NH+]1CC2(CN(CCn3cc[nH+]c3)C2)C1 ZINC001277635847 828199459 /nfs/dbraw/zinc/19/94/59/828199459.db2.gz CKRCHDOHOKOGJF-UHFFFAOYSA-N 2 2 291.399 -0.021 20 0 CBADLP CNC(=O)C(C)(C)[N@H+]1C[C@H]2CN(CC[NH+](C)C)C[C@@H](C1)O2 ZINC001277639981 828201402 /nfs/dbraw/zinc/20/14/02/828201402.db2.gz HIOXZAWJZSJCKJ-BETUJISGSA-N 2 2 298.431 -0.542 20 0 CBADLP CNC(=O)C(C)(C)[N@@H+]1C[C@H]2CN(CC[NH+](C)C)C[C@@H](C1)O2 ZINC001277639981 828201404 /nfs/dbraw/zinc/20/14/04/828201404.db2.gz HIOXZAWJZSJCKJ-BETUJISGSA-N 2 2 298.431 -0.542 20 0 CBADLP CN(C(=O)C12CC[NH+](CC1)C2)C1C[NH+](CCOCCO)C1 ZINC001277682102 828203182 /nfs/dbraw/zinc/20/31/82/828203182.db2.gz JECCVTYQQLMMHL-UHFFFAOYSA-N 2 2 297.399 -0.766 20 0 CBADLP C[C@H](CN(C)C(=O)CCn1cc[nH+]c1)[NH2+]CCO ZINC001277899132 828216783 /nfs/dbraw/zinc/21/67/83/828216783.db2.gz AOVVUIQXKBJCNL-LLVKDONJSA-N 2 2 254.334 -0.298 20 0 CBADLP CNC(=O)C[NH+]1CCC2(C[NH+](CC(=O)N(C)C)C2)CC1 ZINC001278011081 828230412 /nfs/dbraw/zinc/23/04/12/828230412.db2.gz IWMOZIUSLDZDJX-UHFFFAOYSA-N 2 2 282.388 -0.782 20 0 CBADLP COCC[NH2+]C[C@H](O)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001278827420 828293941 /nfs/dbraw/zinc/29/39/41/828293941.db2.gz MXSQBDQGLPZCND-LBPRGKRZSA-N 2 2 284.360 -0.982 20 0 CBADLP CN(C[C@@H](O)C[NH2+]CCF)C(=O)Cn1cc[nH+]c1 ZINC001278838044 828295622 /nfs/dbraw/zinc/29/56/22/828295622.db2.gz GGBZYFXXPDZGLO-JTQLQIEISA-N 2 2 258.297 -0.739 20 0 CBADLP C[C@H](O)C[NH+]1CC(O)(CNC(=O)CCCC[NH+](C)C)C1 ZINC001278923126 828311705 /nfs/dbraw/zinc/31/17/05/828311705.db2.gz WEWKCSQWXVXWHS-LBPRGKRZSA-N 2 2 287.404 -0.738 20 0 CBADLP CC[C@H]([NH2+]C)C(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001350405742 890979657 /nfs/dbraw/zinc/97/96/57/890979657.db2.gz UTMAZVSQRGTROE-UWVGGRQHSA-N 2 2 256.350 -0.950 20 0 CBADLP CC[C@H]([NH2+]C)C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001350405742 890979664 /nfs/dbraw/zinc/97/96/64/890979664.db2.gz UTMAZVSQRGTROE-UWVGGRQHSA-N 2 2 256.350 -0.950 20 0 CBADLP CC[C@@H]([NH2+]C)C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001350405741 890979339 /nfs/dbraw/zinc/97/93/39/890979339.db2.gz UTMAZVSQRGTROE-NXEZZACHSA-N 2 2 256.350 -0.950 20 0 CBADLP CC[C@@H]([NH2+]C)C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001350405741 890979346 /nfs/dbraw/zinc/97/93/46/890979346.db2.gz UTMAZVSQRGTROE-NXEZZACHSA-N 2 2 256.350 -0.950 20 0 CBADLP CC(C)[N@@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001090601013 884645012 /nfs/dbraw/zinc/64/50/12/884645012.db2.gz OHPBZLNXAIRRGN-RYUDHWBXSA-N 2 2 266.345 -0.088 20 0 CBADLP CC(C)[N@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001090601013 884645021 /nfs/dbraw/zinc/64/50/21/884645021.db2.gz OHPBZLNXAIRRGN-RYUDHWBXSA-N 2 2 266.345 -0.088 20 0 CBADLP C[C@]1(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)CC[NH2+]C1 ZINC001326237306 884954509 /nfs/dbraw/zinc/95/45/09/884954509.db2.gz VVNPBRHIQOTKIC-KGLIPLIRSA-N 3 2 252.406 -0.035 20 0 CBADLP CC[NH2+][C@]1(CO)CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001327596760 885423571 /nfs/dbraw/zinc/42/35/71/885423571.db2.gz XQWMWXLHTIRRAY-CYBMUJFWSA-N 2 2 266.345 -0.085 20 0 CBADLP O=C1C[NH2+]CCN1Cc1nc([C@H]2CCC[NH2+]2)no1 ZINC001328388947 885665248 /nfs/dbraw/zinc/66/52/48/885665248.db2.gz WIPUWDYHFAJCKQ-MRVPVSSYSA-N 2 2 251.290 -0.574 20 0 CBADLP C[C@@H](c1nc([C@@H]2CCC[NH2+]2)no1)N1CC[NH2+]CC1=O ZINC001329632757 886152718 /nfs/dbraw/zinc/15/27/18/886152718.db2.gz OHBXEWQUSRFEAB-IUCAKERBSA-N 2 2 265.317 -0.013 20 0 CBADLP Cn1c[nH+]cc1CNC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC001330512729 886465351 /nfs/dbraw/zinc/46/53/51/886465351.db2.gz HQLLPAOPRNOHOD-GFCCVEGCSA-N 2 2 267.333 -0.714 20 0 CBADLP CC[NH2+][C@H](C)C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001331041275 886654513 /nfs/dbraw/zinc/65/45/13/886654513.db2.gz JEBSYEYXRRWFOZ-NXEZZACHSA-N 2 2 256.350 -0.950 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)NC[C@@H](CO)[NH2+]CC1CC1 ZINC001331724768 886936403 /nfs/dbraw/zinc/93/64/03/886936403.db2.gz INBZSTKGNLRGTA-LBPRGKRZSA-N 2 2 266.345 -0.181 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)NC[C@@H](CO)[NH2+]CC1CC1 ZINC001331724768 886936413 /nfs/dbraw/zinc/93/64/13/886936413.db2.gz INBZSTKGNLRGTA-LBPRGKRZSA-N 2 2 266.345 -0.181 20 0 CBADLP C[N@@H+]1CCN(CC[NH+]2C[C@H]3CC[C@@H](C2)O3)[C@H](CO)C1 ZINC001331789877 886981481 /nfs/dbraw/zinc/98/14/81/886981481.db2.gz BFNCVDNJNBFEOU-MELADBBJSA-N 2 2 269.389 -0.542 20 0 CBADLP C[N@H+]1CCN(CC[NH+]2C[C@H]3CC[C@@H](C2)O3)[C@H](CO)C1 ZINC001331789877 886981493 /nfs/dbraw/zinc/98/14/93/886981493.db2.gz BFNCVDNJNBFEOU-MELADBBJSA-N 2 2 269.389 -0.542 20 0 CBADLP C[NH+]1CCN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)[C@H](CO)C1 ZINC001331789877 886981505 /nfs/dbraw/zinc/98/15/05/886981505.db2.gz BFNCVDNJNBFEOU-MELADBBJSA-N 2 2 269.389 -0.542 20 0 CBADLP C[NH+]1CCN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)[C@H](CO)C1 ZINC001331789877 886981513 /nfs/dbraw/zinc/98/15/13/886981513.db2.gz BFNCVDNJNBFEOU-MELADBBJSA-N 2 2 269.389 -0.542 20 0 CBADLP CON1CC[C@H]([NH+]2CCN([C@H]3CC[NH2+]C3)CC2)C1=O ZINC001331965655 887068575 /nfs/dbraw/zinc/06/85/75/887068575.db2.gz KCFJLXQUEYVJKJ-RYUDHWBXSA-N 2 2 268.361 -0.872 20 0 CBADLP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCCc1cn(C)c[nH+]1 ZINC001332390052 887250479 /nfs/dbraw/zinc/25/04/79/887250479.db2.gz DDFFFWPEWZWCOT-ZJUUUORDSA-N 2 2 281.360 -0.679 20 0 CBADLP Cn1c[nH+]cc1[C@@H](CO)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001332687870 887406838 /nfs/dbraw/zinc/40/68/38/887406838.db2.gz FVHZFTONHXGVJU-NXEZZACHSA-N 2 2 252.318 -0.479 20 0 CBADLP Cn1c[nH+]cc1[C@@H](CO)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001332687870 887406843 /nfs/dbraw/zinc/40/68/43/887406843.db2.gz FVHZFTONHXGVJU-NXEZZACHSA-N 2 2 252.318 -0.479 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@H](CC)[NH2+]C ZINC001333630934 887725715 /nfs/dbraw/zinc/72/57/15/887725715.db2.gz SPYAFCDBQCSABW-ZJUUUORDSA-N 2 2 257.334 -0.652 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NCCC[NH+]1CCC(O)CC1 ZINC001334763538 888317840 /nfs/dbraw/zinc/31/78/40/888317840.db2.gz KYHJNVZFRIXAPT-UHFFFAOYSA-N 2 2 266.345 -0.085 20 0 CBADLP Cn1c[nH+]cc1[C@H](CO)NC(=O)C1(C[NH+](C)C)CC1 ZINC001335064453 888396875 /nfs/dbraw/zinc/39/68/75/888396875.db2.gz OJZXQSJQFMFYCZ-JTQLQIEISA-N 2 2 266.345 -0.089 20 0 CBADLP NOCCC[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC001335251225 888467807 /nfs/dbraw/zinc/46/78/07/888467807.db2.gz BKLYOBMZHFQCHX-UHFFFAOYSA-N 2 2 286.420 -0.347 20 0 CBADLP NOCCC[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC001335251225 888467825 /nfs/dbraw/zinc/46/78/25/888467825.db2.gz BKLYOBMZHFQCHX-UHFFFAOYSA-N 2 2 286.420 -0.347 20 0 CBADLP [NH3+]C[C@@H](NC(=O)NCC[NH+]1CCC([NH3+])CC1)C1CC1 ZINC001335586927 888573272 /nfs/dbraw/zinc/57/32/72/888573272.db2.gz FNGWPJMXZKXCTO-GFCCVEGCSA-N 3 2 269.393 -0.554 20 0 CBADLP C[C@@]1(C(=O)N[C@@H]2CCC[N@H+](CC(N)=O)C2)CCC[NH2+]1 ZINC001336721641 888856683 /nfs/dbraw/zinc/85/66/83/888856683.db2.gz NEVMSZSDPPHOKX-MFKMUULPSA-N 2 2 268.361 -0.806 20 0 CBADLP C[C@@]1(C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)C2)CCC[NH2+]1 ZINC001336721641 888856701 /nfs/dbraw/zinc/85/67/01/888856701.db2.gz NEVMSZSDPPHOKX-MFKMUULPSA-N 2 2 268.361 -0.806 20 0 CBADLP C[C@@H]1CN(C(=O)NCC[NH+]2CCC([NH3+])CC2)C[C@H]1[NH3+] ZINC001336979255 888940746 /nfs/dbraw/zinc/94/07/46/888940746.db2.gz ZVTXBQINAZDEJS-ZYHUDNBSSA-N 3 2 269.393 -0.602 20 0 CBADLP O[C@@H](C[NH2+]CCn1cc[nH+]c1)C1(O)CCOCC1 ZINC001337856231 889089913 /nfs/dbraw/zinc/08/99/13/889089913.db2.gz TXTCIVXMKBUSAX-NSHDSACASA-N 2 2 255.318 -0.625 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)NOC[C@H]2CCOC2)CC1 ZINC001338594021 889177754 /nfs/dbraw/zinc/17/77/54/889177754.db2.gz ALYFIFIDTDLYMI-NSHDSACASA-N 2 2 286.376 -0.323 20 0 CBADLP C[C@H]1CN(C(=O)NCC[NH+]2CCC([NH3+])CC2)CC[NH2+]1 ZINC001338686050 889192193 /nfs/dbraw/zinc/19/21/93/889192193.db2.gz AMGFRPQUKOFUCI-NSHDSACASA-N 3 2 269.393 -0.587 20 0 CBADLP C[C@@H](Nc1nccnc1C[NH3+])[C@H]1C[N@H+](C)CCN1C ZINC001339814645 889328112 /nfs/dbraw/zinc/32/81/12/889328112.db2.gz DXVSPCUMUCHFIN-ZYHUDNBSSA-N 2 2 264.377 -0.019 20 0 CBADLP C[C@@H](Nc1nccnc1C[NH3+])[C@H]1C[N@@H+](C)CCN1C ZINC001339814645 889328126 /nfs/dbraw/zinc/32/81/26/889328126.db2.gz DXVSPCUMUCHFIN-ZYHUDNBSSA-N 2 2 264.377 -0.019 20 0 CBADLP C[C@@H](Nc1nccnc1C[NH3+])[C@H]1CN(C)CC[N@@H+]1C ZINC001339814645 889328132 /nfs/dbraw/zinc/32/81/32/889328132.db2.gz DXVSPCUMUCHFIN-ZYHUDNBSSA-N 2 2 264.377 -0.019 20 0 CBADLP C[C@@H](Nc1nccnc1C[NH3+])[C@H]1CN(C)CC[N@H+]1C ZINC001339814645 889328148 /nfs/dbraw/zinc/32/81/48/889328148.db2.gz DXVSPCUMUCHFIN-ZYHUDNBSSA-N 2 2 264.377 -0.019 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1C[NH2+]CCN1C)Cn1cc[nH+]c1 ZINC001340043932 889368097 /nfs/dbraw/zinc/36/80/97/889368097.db2.gz DIODVRUVKRDJGB-RYUDHWBXSA-N 2 2 265.361 -0.461 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC1 ZINC001340942508 889520482 /nfs/dbraw/zinc/52/04/82/889520482.db2.gz MBEOSRXGBXDUHG-YNEHKIRRSA-N 3 2 266.389 -0.334 20 0 CBADLP C[C@H](O)C[NH+]1CC(NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001443553051 912225036 /nfs/dbraw/zinc/22/50/36/912225036.db2.gz CQIUYLSHGMSAQY-RYUDHWBXSA-N 2 2 285.388 -0.864 20 0 CBADLP Nc1ccc(C(=O)NCC[NH+]2CCC([NH3+])CC2)cn1 ZINC001341691292 889648220 /nfs/dbraw/zinc/64/82/20/889648220.db2.gz VEAIUFNPRKTQRJ-UHFFFAOYSA-N 2 2 263.345 -0.183 20 0 CBADLP CC[N@@H+]1CC[C@H]1C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC001443601573 912238848 /nfs/dbraw/zinc/23/88/48/912238848.db2.gz OXSVJIIVPLULAG-OLZOCXBDSA-N 2 2 268.405 -0.167 20 0 CBADLP CC[N@H+]1CC[C@H]1C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC001443601573 912238865 /nfs/dbraw/zinc/23/88/65/912238865.db2.gz OXSVJIIVPLULAG-OLZOCXBDSA-N 2 2 268.405 -0.167 20 0 CBADLP CCCNC(=O)C[NH+]1CC(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001443593082 912239687 /nfs/dbraw/zinc/23/96/87/912239687.db2.gz YWTSXXIHAMOPRX-CYBMUJFWSA-N 2 2 298.431 -0.099 20 0 CBADLP CNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001443610735 912241714 /nfs/dbraw/zinc/24/17/14/912241714.db2.gz DLPXNGNUSLLYLA-VXGBXAGGSA-N 2 2 296.415 -0.489 20 0 CBADLP CNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001443610735 912241729 /nfs/dbraw/zinc/24/17/29/912241729.db2.gz DLPXNGNUSLLYLA-VXGBXAGGSA-N 2 2 296.415 -0.489 20 0 CBADLP CCC[N@H+](C)CCC(=O)NCC1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001443636519 912246563 /nfs/dbraw/zinc/24/65/63/912246563.db2.gz RZHYCNWOBMLNGM-CYBMUJFWSA-N 2 2 296.415 -0.345 20 0 CBADLP CCC[N@@H+](C)CCC(=O)NCC1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001443636519 912246581 /nfs/dbraw/zinc/24/65/81/912246581.db2.gz RZHYCNWOBMLNGM-CYBMUJFWSA-N 2 2 296.415 -0.345 20 0 CBADLP CC[NH+](CC)C[C@@H](F)C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001443669817 912253602 /nfs/dbraw/zinc/25/36/02/912253602.db2.gz QBJJVWRRXFCFKE-LLVKDONJSA-N 2 2 288.367 -0.800 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+](C)C(C)C ZINC001443690823 912260273 /nfs/dbraw/zinc/26/02/73/912260273.db2.gz BDJIMECMXXSYFM-AVGNSLFASA-N 2 2 296.415 -0.254 20 0 CBADLP CNC(=O)[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+](C)C(C)C ZINC001443690823 912260293 /nfs/dbraw/zinc/26/02/93/912260293.db2.gz BDJIMECMXXSYFM-AVGNSLFASA-N 2 2 296.415 -0.254 20 0 CBADLP CNC(=O)[C@H](C)[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@H+](C)C(C)C ZINC001443690823 912260309 /nfs/dbraw/zinc/26/03/09/912260309.db2.gz BDJIMECMXXSYFM-AVGNSLFASA-N 2 2 296.415 -0.254 20 0 CBADLP CNC(=O)[C@H](C)[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+](C)C(C)C ZINC001443690823 912260325 /nfs/dbraw/zinc/26/03/25/912260325.db2.gz BDJIMECMXXSYFM-AVGNSLFASA-N 2 2 296.415 -0.254 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)CC1 ZINC001443746616 912268066 /nfs/dbraw/zinc/26/80/66/912268066.db2.gz ZVTRFBMRMAUXOP-RTXFEEFZSA-N 2 2 294.399 -0.608 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)CC1 ZINC001443746616 912268089 /nfs/dbraw/zinc/26/80/89/912268089.db2.gz ZVTRFBMRMAUXOP-RTXFEEFZSA-N 2 2 294.399 -0.608 20 0 CBADLP CC[C@H](CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)[NH2+]CC(N)=O ZINC001444017528 912327724 /nfs/dbraw/zinc/32/77/24/912327724.db2.gz XKXUSGGLYQKZNX-NXEZZACHSA-N 2 2 281.360 -0.442 20 0 CBADLP CC[C@H](CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1)[NH2+]CC(N)=O ZINC001444017528 912327739 /nfs/dbraw/zinc/32/77/39/912327739.db2.gz XKXUSGGLYQKZNX-NXEZZACHSA-N 2 2 281.360 -0.442 20 0 CBADLP Cc1nnc(CC(=O)NCC[NH+]2CCC([NH3+])CC2)[nH]1 ZINC001342461024 889781172 /nfs/dbraw/zinc/78/11/72/889781172.db2.gz CRJHOALQFPETOB-UHFFFAOYSA-N 2 2 266.349 -0.805 20 0 CBADLP CNC(=O)C1(C(=O)NCC[NH+]2CCC([NH3+])CC2)CCC1 ZINC001342549076 889793349 /nfs/dbraw/zinc/79/33/49/889793349.db2.gz NZAXWUQRYWCSEV-UHFFFAOYSA-N 2 2 282.388 -0.558 20 0 CBADLP C[C@@H](NC(=O)[C@@H]1CCC[C@@H]1[NH3+])[C@@H]1CN(C)CC[N@@H+]1C ZINC001343492902 889923150 /nfs/dbraw/zinc/92/31/50/889923150.db2.gz WKERLNODCCCXKZ-NDBYEHHHSA-N 2 2 268.405 -0.136 20 0 CBADLP C[C@@H](NC(=O)[C@@H]1CCC[C@@H]1[NH3+])[C@@H]1CN(C)CC[N@H+]1C ZINC001343492902 889923154 /nfs/dbraw/zinc/92/31/54/889923154.db2.gz WKERLNODCCCXKZ-NDBYEHHHSA-N 2 2 268.405 -0.136 20 0 CBADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)C[NH2+]CC(=O)N1CCC1 ZINC001444370964 912435833 /nfs/dbraw/zinc/43/58/33/912435833.db2.gz LDHKBSFRIMIBPO-NSHDSACASA-N 2 2 293.371 -0.474 20 0 CBADLP COC[C@H](C)[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001444483685 912455642 /nfs/dbraw/zinc/45/56/42/912455642.db2.gz VIEIBWDLSSTIHE-UONOGXRCSA-N 2 2 299.415 -0.066 20 0 CBADLP COC[C@H](C)[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001444483685 912455651 /nfs/dbraw/zinc/45/56/51/912455651.db2.gz VIEIBWDLSSTIHE-UONOGXRCSA-N 2 2 299.415 -0.066 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC[C@H]1C[N@H+](CCCO)CCO1 ZINC001444480844 912456788 /nfs/dbraw/zinc/45/67/88/912456788.db2.gz RMAPBFXUYOCJCD-ZDUSSCGKSA-N 2 2 296.371 -0.609 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC[C@H]1C[N@@H+](CCCO)CCO1 ZINC001444480844 912456799 /nfs/dbraw/zinc/45/67/99/912456799.db2.gz RMAPBFXUYOCJCD-ZDUSSCGKSA-N 2 2 296.371 -0.609 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CC(N)=O ZINC001445101628 912555543 /nfs/dbraw/zinc/55/55/43/912555543.db2.gz CJYYHGVXYGDVOI-CMPLNLGQSA-N 2 2 293.371 -0.678 20 0 CBADLP CC(C)[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001445200384 912598468 /nfs/dbraw/zinc/59/84/68/912598468.db2.gz GTDBKVSNFKWQOE-YPMHNXCESA-N 2 2 280.372 -0.079 20 0 CBADLP CCN(C)C(=O)C[NH2+]C[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001445626615 912714579 /nfs/dbraw/zinc/71/45/79/912714579.db2.gz UQMIQBKGRYUHGN-JTQLQIEISA-N 2 2 281.360 -0.475 20 0 CBADLP C[C@@H](C[NH2+]Cc1ccn(C)n1)NC(=O)Cc1c[nH+]cn1C ZINC001445647662 912726212 /nfs/dbraw/zinc/72/62/12/912726212.db2.gz MQWKPKUVSAJIIT-NSHDSACASA-N 2 2 290.371 -0.009 20 0 CBADLP COC[C@H](O)C[N@H+](C)C[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001445822759 912763404 /nfs/dbraw/zinc/76/34/04/912763404.db2.gz FXWBMDIKDXMQFT-WDEREUQCSA-N 2 2 284.360 -0.604 20 0 CBADLP COC[C@H](O)C[N@@H+](C)C[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001445822759 912763421 /nfs/dbraw/zinc/76/34/21/912763421.db2.gz FXWBMDIKDXMQFT-WDEREUQCSA-N 2 2 284.360 -0.604 20 0 CBADLP Cc1[nH+]ccn1CCCC(=O)N[C@@H](C)C[N@H+](C)CC(N)=O ZINC001445846322 912770074 /nfs/dbraw/zinc/77/00/74/912770074.db2.gz TVWWTEATKBSSEY-NSHDSACASA-N 2 2 295.387 -0.106 20 0 CBADLP Cc1[nH+]ccn1CCCC(=O)N[C@@H](C)C[N@@H+](C)CC(N)=O ZINC001445846322 912770085 /nfs/dbraw/zinc/77/00/85/912770085.db2.gz TVWWTEATKBSSEY-NSHDSACASA-N 2 2 295.387 -0.106 20 0 CBADLP Cc1[nH+]ccn1CCCC(=O)N[C@H](C)C[N@H+](C)CC(N)=O ZINC001445846316 912770846 /nfs/dbraw/zinc/77/08/46/912770846.db2.gz TVWWTEATKBSSEY-LLVKDONJSA-N 2 2 295.387 -0.106 20 0 CBADLP Cc1[nH+]ccn1CCCC(=O)N[C@H](C)C[N@@H+](C)CC(N)=O ZINC001445846316 912770852 /nfs/dbraw/zinc/77/08/52/912770852.db2.gz TVWWTEATKBSSEY-LLVKDONJSA-N 2 2 295.387 -0.106 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@H]1CC[N@@H+]1CCn1cccn1 ZINC001446128528 912819722 /nfs/dbraw/zinc/81/97/22/912819722.db2.gz ZMBXDYUADKKZOR-CYBMUJFWSA-N 2 2 288.355 -0.030 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@H]1CC[N@H+]1CCn1cccn1 ZINC001446128528 912819748 /nfs/dbraw/zinc/81/97/48/912819748.db2.gz ZMBXDYUADKKZOR-CYBMUJFWSA-N 2 2 288.355 -0.030 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1CC[N@@H+](CCCF)C[C@@H]1O ZINC001090601645 884643960 /nfs/dbraw/zinc/64/39/60/884643960.db2.gz UZMASVABLLGYMQ-RYUDHWBXSA-N 2 2 284.335 -0.137 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1CC[N@H+](CCCF)C[C@@H]1O ZINC001090601645 884643964 /nfs/dbraw/zinc/64/39/64/884643964.db2.gz UZMASVABLLGYMQ-RYUDHWBXSA-N 2 2 284.335 -0.137 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCCC[NH2+][C@@H]1CCNC1=O ZINC001174681821 884682972 /nfs/dbraw/zinc/68/29/72/884682972.db2.gz BLYDRDYMVNYNLD-SNVBAGLBSA-N 2 2 279.344 -0.755 20 0 CBADLP CNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001175881691 884697255 /nfs/dbraw/zinc/69/72/55/884697255.db2.gz UFRWCGRLFYNNBT-NSHDSACASA-N 2 2 295.387 -0.037 20 0 CBADLP CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH+](C)C ZINC001176335479 884703098 /nfs/dbraw/zinc/70/30/98/884703098.db2.gz WEUKPJSASHNEDM-LLVKDONJSA-N 2 2 267.333 -0.865 20 0 CBADLP CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[NH+](C)C ZINC001176335479 884703111 /nfs/dbraw/zinc/70/31/11/884703111.db2.gz WEUKPJSASHNEDM-LLVKDONJSA-N 2 2 267.333 -0.865 20 0 CBADLP CNC(=O)C[NH2+]C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001203494462 884749483 /nfs/dbraw/zinc/74/94/83/884749483.db2.gz QYKPJPSKYFCGQJ-UHFFFAOYSA-N 2 2 293.371 -0.413 20 0 CBADLP CNC(=O)C[NH2+][C@@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001210847258 884766015 /nfs/dbraw/zinc/76/60/15/884766015.db2.gz NGKZLHSJWKBLFN-LLVKDONJSA-N 2 2 293.371 -0.413 20 0 CBADLP Nc1ccc(-c2nc(=O)on2C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)cc1 ZINC001219386611 884790921 /nfs/dbraw/zinc/79/09/21/884790921.db2.gz NXMVANHAMZJAQU-ZJUUUORDSA-N 2 2 289.295 -0.585 20 0 CBADLP [NH3+]CCC[NH2+]CC(=O)NC1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC001219795499 884791711 /nfs/dbraw/zinc/79/17/11/884791711.db2.gz AWASKXRZJWZXBM-UHFFFAOYSA-N 4 2 297.447 -0.743 20 0 CBADLP Cc1ncc(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)o1 ZINC001326160810 884928949 /nfs/dbraw/zinc/92/89/49/884928949.db2.gz RNJQWGKFMUACDJ-LBPRGKRZSA-N 2 2 268.361 -0.319 20 0 CBADLP NC(=O)C[N@@H+]1CCC[C@H](NC(=O)C[C@@H]([NH3+])C2CC2)C1 ZINC001326372051 885005929 /nfs/dbraw/zinc/00/59/29/885005929.db2.gz XCHMJWYQKOHBPN-WDEREUQCSA-N 2 2 268.361 -0.820 20 0 CBADLP NC(=O)C[N@H+]1CCC[C@H](NC(=O)C[C@@H]([NH3+])C2CC2)C1 ZINC001326372051 885005945 /nfs/dbraw/zinc/00/59/45/885005945.db2.gz XCHMJWYQKOHBPN-WDEREUQCSA-N 2 2 268.361 -0.820 20 0 CBADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)CCC[NH2+]C ZINC001326556071 885063270 /nfs/dbraw/zinc/06/32/70/885063270.db2.gz ATGNZLXXVRCIEU-SNVBAGLBSA-N 2 2 257.334 -0.651 20 0 CBADLP COCCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001326667592 885107900 /nfs/dbraw/zinc/10/79/00/885107900.db2.gz NPGBZKOKWCKMJQ-KBPBESRZSA-N 2 2 299.415 -0.208 20 0 CBADLP COCCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001326667592 885107909 /nfs/dbraw/zinc/10/79/09/885107909.db2.gz NPGBZKOKWCKMJQ-KBPBESRZSA-N 2 2 299.415 -0.208 20 0 CBADLP COCCC[NH+]1CCOC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001326667592 885107918 /nfs/dbraw/zinc/10/79/18/885107918.db2.gz NPGBZKOKWCKMJQ-KBPBESRZSA-N 2 2 299.415 -0.208 20 0 CBADLP COCCC[NH+]1CCOC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001326667592 885107930 /nfs/dbraw/zinc/10/79/30/885107930.db2.gz NPGBZKOKWCKMJQ-KBPBESRZSA-N 2 2 299.415 -0.208 20 0 CBADLP [NH3+]CCCCn1cc(C(=O)NCCc2[nH]cc[nH+]2)nn1 ZINC001326676367 885109920 /nfs/dbraw/zinc/10/99/20/885109920.db2.gz LXGNNVZTBUIYJU-UHFFFAOYSA-N 2 2 277.332 -0.287 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]CCO)C1 ZINC001326698138 885112709 /nfs/dbraw/zinc/11/27/09/885112709.db2.gz HGEHYEBWYCHFAX-OLZOCXBDSA-N 2 2 285.388 -0.720 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]CCO)C1 ZINC001326698138 885112714 /nfs/dbraw/zinc/11/27/14/885112714.db2.gz HGEHYEBWYCHFAX-OLZOCXBDSA-N 2 2 285.388 -0.720 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@](C)(NC(=O)CCn2cc[nH+]c2)C1 ZINC001446540954 912899064 /nfs/dbraw/zinc/89/90/64/912899064.db2.gz KXEKUNYBAIMYOH-FZMZJTMJSA-N 2 2 293.371 -0.272 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CC[C@](C)(NC(=O)CCn2cc[nH+]c2)C1 ZINC001446540954 912899074 /nfs/dbraw/zinc/89/90/74/912899074.db2.gz KXEKUNYBAIMYOH-FZMZJTMJSA-N 2 2 293.371 -0.272 20 0 CBADLP C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC001327510713 885383099 /nfs/dbraw/zinc/38/30/99/885383099.db2.gz XZHVYORCZUFNBH-ZJUUUORDSA-N 2 2 279.344 -0.962 20 0 CBADLP C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC001327510710 885384019 /nfs/dbraw/zinc/38/40/19/885384019.db2.gz XZHVYORCZUFNBH-NXEZZACHSA-N 2 2 279.344 -0.962 20 0 CBADLP C[C@@]1(C2CC[NH+](C[C@@H]3C[NH2+]CCO3)CC2)NC(=O)NC1=O ZINC001327597360 885422358 /nfs/dbraw/zinc/42/23/58/885422358.db2.gz RDGYQGHETSQCQN-FZMZJTMJSA-N 2 2 296.371 -0.715 20 0 CBADLP NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[C@H]2[NH3+])C1 ZINC001327602253 885425320 /nfs/dbraw/zinc/42/53/20/885425320.db2.gz WUDINWIXFVZUCB-OUAUKWLOSA-N 2 2 268.361 -0.820 20 0 CBADLP NC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[C@H]2[NH3+])C1 ZINC001327602253 885425332 /nfs/dbraw/zinc/42/53/32/885425332.db2.gz WUDINWIXFVZUCB-OUAUKWLOSA-N 2 2 268.361 -0.820 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@]1(O)CC[N@@H+](C[C@@H](C)O)C1 ZINC001446800045 912954406 /nfs/dbraw/zinc/95/44/06/912954406.db2.gz QGXYIFWARHRMMB-QMTHXVAHSA-N 2 2 296.371 -0.806 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@]1(O)CC[N@H+](C[C@@H](C)O)C1 ZINC001446800045 912954424 /nfs/dbraw/zinc/95/44/24/912954424.db2.gz QGXYIFWARHRMMB-QMTHXVAHSA-N 2 2 296.371 -0.806 20 0 CBADLP CC(C)CC[NH+]1CC(O)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001446825817 912961669 /nfs/dbraw/zinc/96/16/69/912961669.db2.gz BNYDITRRJYIMHT-CYBMUJFWSA-N 2 2 299.415 -0.474 20 0 CBADLP CC(C)CC[NH+]1CC(O)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001446825817 912961675 /nfs/dbraw/zinc/96/16/75/912961675.db2.gz BNYDITRRJYIMHT-CYBMUJFWSA-N 2 2 299.415 -0.474 20 0 CBADLP C[NH+](C)C1(C(=O)NCC2(O)C[NH+](CCCF)C2)CCC1 ZINC001446856866 912970450 /nfs/dbraw/zinc/97/04/50/912970450.db2.gz XOCGHEZXHKAPCZ-UHFFFAOYSA-N 2 2 287.379 -0.007 20 0 CBADLP CC1CC[NH+](CC(=O)NCC2(O)C[NH+](CCCO)C2)CC1 ZINC001446891858 912973374 /nfs/dbraw/zinc/97/33/74/912973374.db2.gz UPVSQTWDGDDYEG-UHFFFAOYSA-N 2 2 299.415 -0.736 20 0 CBADLP O[C@@H]1COC[C@H]1[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC001329115314 885937032 /nfs/dbraw/zinc/93/70/32/885937032.db2.gz VACBWHKBIVDHTH-YNEHKIRRSA-N 2 2 256.346 -0.411 20 0 CBADLP C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C[NH2+]CC(N)=O ZINC001446968864 912991008 /nfs/dbraw/zinc/99/10/08/912991008.db2.gz SXCCAQANVOWUTB-QWRGUYRKSA-N 2 2 293.371 -0.488 20 0 CBADLP C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C[NH2+]CC(N)=O ZINC001446968864 912991014 /nfs/dbraw/zinc/99/10/14/912991014.db2.gz SXCCAQANVOWUTB-QWRGUYRKSA-N 2 2 293.371 -0.488 20 0 CBADLP [NH3+]CCCn1cc(C(=O)NCCn2cc[nH+]c2)nn1 ZINC001329283331 885995871 /nfs/dbraw/zinc/99/58/71/885995871.db2.gz JFNIQEKTOZMSCU-UHFFFAOYSA-N 2 2 263.305 -0.747 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC001329434823 886066091 /nfs/dbraw/zinc/06/60/91/886066091.db2.gz YRSKVNASTVZUDI-RYUDHWBXSA-N 2 2 264.329 -0.449 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC001329434823 886066096 /nfs/dbraw/zinc/06/60/96/886066096.db2.gz YRSKVNASTVZUDI-RYUDHWBXSA-N 2 2 264.329 -0.449 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC001329434819 886067240 /nfs/dbraw/zinc/06/72/40/886067240.db2.gz YRSKVNASTVZUDI-NEPJUHHUSA-N 2 2 264.329 -0.449 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC001329434819 886067254 /nfs/dbraw/zinc/06/72/54/886067254.db2.gz YRSKVNASTVZUDI-NEPJUHHUSA-N 2 2 264.329 -0.449 20 0 CBADLP C[NH2+]CCCC(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001329563652 886123171 /nfs/dbraw/zinc/12/31/71/886123171.db2.gz CCOUHCFDAFZJJI-SNVBAGLBSA-N 2 2 256.350 -0.948 20 0 CBADLP C[NH2+]CCCC(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001329563652 886123182 /nfs/dbraw/zinc/12/31/82/886123182.db2.gz CCOUHCFDAFZJJI-SNVBAGLBSA-N 2 2 256.350 -0.948 20 0 CBADLP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC001329609044 886139911 /nfs/dbraw/zinc/13/99/11/886139911.db2.gz OOYSGVWKKKRVQK-LLVKDONJSA-N 2 2 293.371 -0.148 20 0 CBADLP CN(CCC[NH3+])C(=O)C(=O)NCCCCn1cc[nH+]c1 ZINC001329823514 886225572 /nfs/dbraw/zinc/22/55/72/886225572.db2.gz XKAOCBIXRPAHIU-UHFFFAOYSA-N 2 2 281.360 -0.413 20 0 CBADLP C[C@H]([NH2+]CC[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1)C(N)=O ZINC001447093646 913021527 /nfs/dbraw/zinc/02/15/27/913021527.db2.gz WAMCPSNHGBEHBX-WDEREUQCSA-N 2 2 293.371 -0.346 20 0 CBADLP C([NH+]1CCN([C@H]2CC[NH2+]C2)CC1)[C@]12C[C@H]1C[NH2+]C2 ZINC001329977454 886310504 /nfs/dbraw/zinc/31/05/04/886310504.db2.gz UKKOBYFLFJGBOZ-MELADBBJSA-N 3 2 250.390 -0.425 20 0 CBADLP COCn1ncc(C)c1C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC001330081359 886352594 /nfs/dbraw/zinc/35/25/94/886352594.db2.gz MKFPJPIDNFEGQE-ZDUSSCGKSA-N 2 2 268.361 -0.048 20 0 CBADLP COCn1ncc(C)c1C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC001330081359 886352615 /nfs/dbraw/zinc/35/26/15/886352615.db2.gz MKFPJPIDNFEGQE-ZDUSSCGKSA-N 2 2 268.361 -0.048 20 0 CBADLP Cn1c[nH+]cc1CNC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC001330512729 886465337 /nfs/dbraw/zinc/46/53/37/886465337.db2.gz HQLLPAOPRNOHOD-GFCCVEGCSA-N 2 2 267.333 -0.714 20 0 CBADLP COC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001447315520 913051946 /nfs/dbraw/zinc/05/19/46/913051946.db2.gz YCZYWEFLUMHESP-CHWSQXEVSA-N 2 2 296.371 -0.265 20 0 CBADLP CN(C)c1ccc(Cn2cc([C@@H]([NH3+])CO)nn2)c[nH+]1 ZINC001330791017 886570905 /nfs/dbraw/zinc/57/09/05/886570905.db2.gz IAYOBWKEUHCFKI-JTQLQIEISA-N 2 2 262.317 -0.221 20 0 CBADLP COCC[NH2+]C1CC[NH+](CCCS(N)(=O)=O)CC1 ZINC001330846842 886592162 /nfs/dbraw/zinc/59/21/62/886592162.db2.gz PEWNXFZGPZNNRW-UHFFFAOYSA-N 2 2 279.406 -0.635 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+](C)CCCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001447355157 913060607 /nfs/dbraw/zinc/06/06/07/913060607.db2.gz BFMUBAXCDMFFRS-LBPRGKRZSA-N 2 2 295.387 -0.004 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+](C)CCCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001447355157 913060627 /nfs/dbraw/zinc/06/06/27/913060627.db2.gz BFMUBAXCDMFFRS-LBPRGKRZSA-N 2 2 295.387 -0.004 20 0 CBADLP CC[NH2+][C@H](C)C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001331041275 886654510 /nfs/dbraw/zinc/65/45/10/886654510.db2.gz JEBSYEYXRRWFOZ-NXEZZACHSA-N 2 2 256.350 -0.950 20 0 CBADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)C1=CC[C@@H]([NH3+])C1 ZINC001331688654 886908592 /nfs/dbraw/zinc/90/85/92/886908592.db2.gz DGKGKRHDEYONEY-GHMZBOCLSA-N 2 2 267.329 -0.603 20 0 CBADLP CC[C@@H]([NH3+])C(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC001331689879 886910646 /nfs/dbraw/zinc/91/06/46/886910646.db2.gz PRIDAOSYDKJCIQ-CYBMUJFWSA-N 2 2 268.405 -0.038 20 0 CBADLP COC(=O)[C@@H]([NH3+])Cc1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC001331918337 887046320 /nfs/dbraw/zinc/04/63/20/887046320.db2.gz MYOWTENGCGVBPZ-SCZZXKLOSA-N 2 2 253.306 -0.927 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001332145377 887131720 /nfs/dbraw/zinc/13/17/20/887131720.db2.gz JGJOVOMPRJSGJK-WDEREUQCSA-N 2 2 250.302 -0.770 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001332145377 887131726 /nfs/dbraw/zinc/13/17/26/887131726.db2.gz JGJOVOMPRJSGJK-WDEREUQCSA-N 2 2 250.302 -0.770 20 0 CBADLP Cn1c[nH+]cc1[C@H](CO)NC(=O)C[NH2+]C(C)(C)C ZINC001332243052 887168353 /nfs/dbraw/zinc/16/83/53/887168353.db2.gz YHVKYZXQBGGGGT-VIFPVBQESA-N 2 2 254.334 -0.042 20 0 CBADLP C[C@H](NC(=O)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21)[C@H](C)[NH+]1CCOCC1 ZINC001332292377 887186139 /nfs/dbraw/zinc/18/61/39/887186139.db2.gz OFKHTBXTQKMGFK-PJSNJIKXSA-N 2 2 267.373 -0.180 20 0 CBADLP Cn1cc([C@H](O)C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)cn1 ZINC001332358728 887224992 /nfs/dbraw/zinc/22/49/92/887224992.db2.gz LDQHMXSEAZQXAT-QWHCGFSZSA-N 2 2 268.361 -0.502 20 0 CBADLP Cn1cc([C@H](O)C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)cn1 ZINC001332358728 887225001 /nfs/dbraw/zinc/22/50/01/887225001.db2.gz LDQHMXSEAZQXAT-QWHCGFSZSA-N 2 2 268.361 -0.502 20 0 CBADLP O[C@@H](COC1CCOCC1)C[N@@H+]1CCC[NH2+]CC1 ZINC001332815548 887436629 /nfs/dbraw/zinc/43/66/29/887436629.db2.gz JIATUPQQHCKAPN-GFCCVEGCSA-N 2 2 258.362 -0.162 20 0 CBADLP O[C@@H](COC1CCOCC1)C[N@H+]1CCC[NH2+]CC1 ZINC001332815548 887436639 /nfs/dbraw/zinc/43/66/39/887436639.db2.gz JIATUPQQHCKAPN-GFCCVEGCSA-N 2 2 258.362 -0.162 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](N3C(=O)N[C@@H](CO)C3=O)C2)CC1 ZINC001332846877 887449290 /nfs/dbraw/zinc/44/92/90/887449290.db2.gz APMNUKHBMNLEJQ-NEPJUHHUSA-N 2 2 296.371 -0.932 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@@H](N3C(=O)N[C@@H](CO)C3=O)C2)CC1 ZINC001332846877 887449304 /nfs/dbraw/zinc/44/93/04/887449304.db2.gz APMNUKHBMNLEJQ-NEPJUHHUSA-N 2 2 296.371 -0.932 20 0 CBADLP CS(=O)(=O)C[C@H](O)C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC001332876258 887458272 /nfs/dbraw/zinc/45/82/72/887458272.db2.gz DWQKDNBXXTZBLC-OUAUKWLOSA-N 2 2 264.391 -0.359 20 0 CBADLP CC[N@H+](C)C[C@@H](O)Cn1cc(Cn2cc[nH+]c2)nn1 ZINC001333126266 887536656 /nfs/dbraw/zinc/53/66/56/887536656.db2.gz WDEXTBDALYJKST-GFCCVEGCSA-N 2 2 264.333 -0.165 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)Cn1cc(Cn2cc[nH+]c2)nn1 ZINC001333126266 887536670 /nfs/dbraw/zinc/53/66/70/887536670.db2.gz WDEXTBDALYJKST-GFCCVEGCSA-N 2 2 264.333 -0.165 20 0 CBADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@@H](CC)[NH2+]C ZINC001333630929 887725941 /nfs/dbraw/zinc/72/59/41/887725941.db2.gz SPYAFCDBQCSABW-NXEZZACHSA-N 2 2 257.334 -0.652 20 0 CBADLP OC1CC[NH+](Cc2cn(C[C@H]3CCC[NH2+]3)nn2)CC1 ZINC001334395619 887951667 /nfs/dbraw/zinc/95/16/67/887951667.db2.gz AIGSCHSKGAFQCN-LLVKDONJSA-N 2 2 265.361 -0.013 20 0 CBADLP C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC001334448460 888238996 /nfs/dbraw/zinc/23/89/96/888238996.db2.gz GRYLKZCOCHIDEL-GFCCVEGCSA-N 2 2 296.415 -0.251 20 0 CBADLP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC001334448460 888239011 /nfs/dbraw/zinc/23/90/11/888239011.db2.gz GRYLKZCOCHIDEL-GFCCVEGCSA-N 2 2 296.415 -0.251 20 0 CBADLP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CC(N)=O ZINC001448139936 913234929 /nfs/dbraw/zinc/23/49/29/913234929.db2.gz BCPJGSQXYIQWJZ-NEPJUHHUSA-N 2 2 284.404 -0.217 20 0 CBADLP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CC(N)=O ZINC001448139936 913234944 /nfs/dbraw/zinc/23/49/44/913234944.db2.gz BCPJGSQXYIQWJZ-NEPJUHHUSA-N 2 2 284.404 -0.217 20 0 CBADLP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H](C)[N@H+](C)CC(N)=O ZINC001448139936 913234960 /nfs/dbraw/zinc/23/49/60/913234960.db2.gz BCPJGSQXYIQWJZ-NEPJUHHUSA-N 2 2 284.404 -0.217 20 0 CBADLP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](C)CC(N)=O ZINC001448139936 913234973 /nfs/dbraw/zinc/23/49/73/913234973.db2.gz BCPJGSQXYIQWJZ-NEPJUHHUSA-N 2 2 284.404 -0.217 20 0 CBADLP [NH3+]CC[C@@H]1CCN(C(=O)C(=O)N2CCn3c[nH+]cc3C2)C1 ZINC001335281292 888482087 /nfs/dbraw/zinc/48/20/87/888482087.db2.gz MFZJUUQEDMVISZ-LLVKDONJSA-N 2 2 291.355 -0.577 20 0 CBADLP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC001335369547 888517836 /nfs/dbraw/zinc/51/78/36/888517836.db2.gz WOCINOBTUWPAFX-LSDHHAIUSA-N 3 2 284.448 -0.474 20 0 CBADLP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC001335369547 888517841 /nfs/dbraw/zinc/51/78/41/888517841.db2.gz WOCINOBTUWPAFX-LSDHHAIUSA-N 3 2 284.448 -0.474 20 0 CBADLP CC[NH+]1CCN(C(=O)C[NH+]2CCC(CO)CC2)CC1 ZINC001335913322 888651267 /nfs/dbraw/zinc/65/12/67/888651267.db2.gz WUSGMHOSXUGDSQ-UHFFFAOYSA-N 2 2 269.389 -0.145 20 0 CBADLP CC(C)[C@@H](C(=O)N[C@H](C)C1C[NH+](CC(N)=O)C1)[NH+](C)C ZINC001448340031 913276901 /nfs/dbraw/zinc/27/69/01/913276901.db2.gz SLQCHYJVBTYCER-MFKMUULPSA-N 2 2 284.404 -0.506 20 0 CBADLP COCCOC[C@H](O)C[NH2+][C@H](C)[C@H]1C[N@H+](C)CCN1C ZINC001336779138 888878500 /nfs/dbraw/zinc/87/85/00/888878500.db2.gz HLLCXWZKVWNZSD-MGPQQGTHSA-N 2 2 289.420 -0.766 20 0 CBADLP COCCOC[C@H](O)C[NH2+][C@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC001336779138 888878516 /nfs/dbraw/zinc/87/85/16/888878516.db2.gz HLLCXWZKVWNZSD-MGPQQGTHSA-N 2 2 289.420 -0.766 20 0 CBADLP COC(=O)[C@@H]1C[NH+](CC(C)(C)[NH3+])C[C@H]1C(=O)OC ZINC001337838536 889086469 /nfs/dbraw/zinc/08/64/69/889086469.db2.gz ORUAPGQDTPPHDA-RKDXNWHRSA-N 2 2 258.318 -0.382 20 0 CBADLP C[C@@H](O)C[NH2+]C[C@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001448531586 913318364 /nfs/dbraw/zinc/31/83/64/913318364.db2.gz SOTTUSYMJQPSHM-IJLUTSLNSA-N 2 2 280.372 -0.172 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001448596021 913327088 /nfs/dbraw/zinc/32/70/88/913327088.db2.gz OYBUHLVMMQLECA-NSHDSACASA-N 2 2 293.371 -0.475 20 0 CBADLP O=C1NC(=O)[C@@]2(CCC[N@H+](CCn3cc[nH+]c3)C2)N1 ZINC001339474264 889278425 /nfs/dbraw/zinc/27/84/25/889278425.db2.gz HQRKFTCPTFIFPB-LBPRGKRZSA-N 2 2 263.301 -0.443 20 0 CBADLP O=C1NC(=O)[C@@]2(CCC[N@@H+](CCn3cc[nH+]c3)C2)N1 ZINC001339474264 889278437 /nfs/dbraw/zinc/27/84/37/889278437.db2.gz HQRKFTCPTFIFPB-LBPRGKRZSA-N 2 2 263.301 -0.443 20 0 CBADLP C[C@@H]1C[N@H+](CCN2CC[NH2+]CC[NH2+]CC2)CCO1 ZINC001339933493 889345946 /nfs/dbraw/zinc/34/59/46/889345946.db2.gz OWARRKRVEABZII-CYBMUJFWSA-N 3 2 256.394 -0.798 20 0 CBADLP C[NH+](C)C[C@@H]1NC(=O)N([C@@H]2CCn3cc[nH+]c3C2)C1=O ZINC001339977724 889357217 /nfs/dbraw/zinc/35/72/17/889357217.db2.gz CEDAUKKEFNKAFX-ZJUUUORDSA-N 2 2 277.328 -0.320 20 0 CBADLP [NH3+]C[C@@H]1C[C@@H]1C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC001340055792 889373526 /nfs/dbraw/zinc/37/35/26/889373526.db2.gz CZUVYEXPYHGUGJ-AVGNSLFASA-N 2 2 267.373 -0.096 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC001340076567 889380921 /nfs/dbraw/zinc/38/09/21/889380921.db2.gz GNXJKQVGKOWKDQ-RNJOBUHISA-N 2 2 267.373 -0.321 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC001340076567 889380938 /nfs/dbraw/zinc/38/09/38/889380938.db2.gz GNXJKQVGKOWKDQ-RNJOBUHISA-N 2 2 267.373 -0.321 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@H](C)CN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001448662863 913343192 /nfs/dbraw/zinc/34/31/92/913343192.db2.gz BDPLZDRRGZHRGL-MNOVXSKESA-N 2 2 295.387 -0.087 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@H](C)CN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001448662863 913343201 /nfs/dbraw/zinc/34/32/01/913343201.db2.gz BDPLZDRRGZHRGL-MNOVXSKESA-N 2 2 295.387 -0.087 20 0 CBADLP O=C(NC[C@H]1C[NH2+]CCO1)[C@@H]1[NH2+]CCc2occc21 ZINC001340471341 889437583 /nfs/dbraw/zinc/43/75/83/889437583.db2.gz KAIVTFUNDOLTHH-BXKDBHETSA-N 2 2 265.313 -0.429 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NC1CC[NH+](C)CC1 ZINC001340655787 889461598 /nfs/dbraw/zinc/46/15/98/889461598.db2.gz FGALJDRSBRDERA-NSHDSACASA-N 2 2 293.371 -0.402 20 0 CBADLP CC[C@@]1(C(=O)NCC[NH+]2CCC([NH3+])CC2)CC[NH2+]C1 ZINC001340941928 889520689 /nfs/dbraw/zinc/52/06/89/889520689.db2.gz FQQOWDYADGIFSI-CQSZACIVSA-N 3 2 268.405 -0.085 20 0 CBADLP Cc1ccc(NCCNC(=O)[C@@H]2C[NH2+]CCO2)[nH+]c1 ZINC001341324775 889574882 /nfs/dbraw/zinc/57/48/82/889574882.db2.gz AYTMXBGNPMDSDV-NSHDSACASA-N 2 2 264.329 -0.093 20 0 CBADLP [NH3+]CCN1CCC[C@@H](C(=O)NCCn2cc[nH+]c2)C1=O ZINC001341630582 889637579 /nfs/dbraw/zinc/63/75/79/889637579.db2.gz SAPGAZRIZKTVCL-NSHDSACASA-N 2 2 279.344 -0.803 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)Cc2ncc[nH]2)CC1 ZINC001341690923 889649751 /nfs/dbraw/zinc/64/97/51/889649751.db2.gz QHVBDVDUYOBMQX-UHFFFAOYSA-N 2 2 251.334 -0.509 20 0 CBADLP CCC[NH2+][C@H](C)C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001341691007 889649922 /nfs/dbraw/zinc/64/99/22/889649922.db2.gz UDYWYPHICPXUNS-LLVKDONJSA-N 3 2 256.394 -0.086 20 0 CBADLP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CCO1 ZINC001341754593 889658269 /nfs/dbraw/zinc/65/82/69/889658269.db2.gz UYIJVGWVGIPHKD-ZYHUDNBSSA-N 2 2 264.329 -0.368 20 0 CBADLP C[N@@H+]1CC[C@](O)(CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001342496108 889784759 /nfs/dbraw/zinc/78/47/59/889784759.db2.gz NQPOVRDKJIJUDX-LBPRGKRZSA-N 2 2 252.318 -0.475 20 0 CBADLP C[N@H+]1CC[C@](O)(CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001342496108 889784772 /nfs/dbraw/zinc/78/47/72/889784772.db2.gz NQPOVRDKJIJUDX-LBPRGKRZSA-N 2 2 252.318 -0.475 20 0 CBADLP C[C@@H]([NH2+]C1CC1)C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001342549715 889791681 /nfs/dbraw/zinc/79/16/81/889791681.db2.gz VXNRGDUGWZMHLC-SNVBAGLBSA-N 3 2 254.378 -0.334 20 0 CBADLP C[C@H]([NH2+]C1CC1)C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001342549713 889791973 /nfs/dbraw/zinc/79/19/73/889791973.db2.gz VXNRGDUGWZMHLC-JTQLQIEISA-N 3 2 254.378 -0.334 20 0 CBADLP CC(C)NC(=O)C[NH2+][C@@H](C)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001448794113 913383111 /nfs/dbraw/zinc/38/31/11/913383111.db2.gz LLBVZEFPBOWNHS-LBPRGKRZSA-N 2 2 295.387 -0.156 20 0 CBADLP O=C(Nc1cc2n(n1)CC[NH2+]C2)[C@@H]1CSC[NH2+]1 ZINC001343023534 889859603 /nfs/dbraw/zinc/85/96/03/889859603.db2.gz XUIRNRDSYBTRDP-QMMMGPOBSA-N 2 2 253.331 -0.413 20 0 CBADLP C[C@@H](NC(=O)[C@H]1CC[NH2+][C@H]1C)[C@H]1CN(C)CC[N@@H+]1C ZINC001343487590 889918821 /nfs/dbraw/zinc/91/88/21/889918821.db2.gz FHGWEDGSMNDTMS-QNWHQSFQSA-N 2 2 268.405 -0.265 20 0 CBADLP C[C@@H](NC(=O)[C@H]1CC[NH2+][C@H]1C)[C@H]1CN(C)CC[N@H+]1C ZINC001343487590 889918826 /nfs/dbraw/zinc/91/88/26/889918826.db2.gz FHGWEDGSMNDTMS-QNWHQSFQSA-N 2 2 268.405 -0.265 20 0 CBADLP O=C(NC[C@H]1COCC[NH2+]1)[C@H]1[NH2+]CCc2occc21 ZINC001344356180 890015951 /nfs/dbraw/zinc/01/59/51/890015951.db2.gz BGBSUCCUGBJGIM-CABZTGNLSA-N 2 2 265.313 -0.429 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@H](C)[NH2+]C1CC1 ZINC001345991505 890188885 /nfs/dbraw/zinc/18/88/85/890188885.db2.gz CPAPNHRTUPAPND-ONGXEEELSA-N 2 2 269.345 -0.510 20 0 CBADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@H](C)C[NH2+]C ZINC001345991804 890189113 /nfs/dbraw/zinc/18/91/13/890189113.db2.gz FGNBVKVPOOHALP-NXEZZACHSA-N 2 2 257.334 -0.795 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@H](C)C[NH2+]C ZINC001345991810 890189570 /nfs/dbraw/zinc/18/95/70/890189570.db2.gz FGNBVKVPOOHALP-ZJUUUORDSA-N 2 2 257.334 -0.795 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@H](C)[NH2+]C1CC1 ZINC001345991338 890190246 /nfs/dbraw/zinc/19/02/46/890190246.db2.gz CPAPNHRTUPAPND-KOLCDFICSA-N 2 2 269.345 -0.510 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCN2C[C@@H]3C)CC[N@@H+]1C ZINC001346750475 890350534 /nfs/dbraw/zinc/35/05/34/890350534.db2.gz KTSVTBTTZVWTHX-AGIUHOORSA-N 2 2 266.389 -0.463 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCN2C[C@@H]3C)CC[N@H+]1C ZINC001346750475 890350546 /nfs/dbraw/zinc/35/05/46/890350546.db2.gz KTSVTBTTZVWTHX-AGIUHOORSA-N 2 2 266.389 -0.463 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CCN2C[C@@H]3C)CC[NH+]1C ZINC001346750475 890350557 /nfs/dbraw/zinc/35/05/57/890350557.db2.gz KTSVTBTTZVWTHX-AGIUHOORSA-N 2 2 266.389 -0.463 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CCN2C[C@@H]3C)CC[NH+]1C ZINC001346750475 890350569 /nfs/dbraw/zinc/35/05/69/890350569.db2.gz KTSVTBTTZVWTHX-AGIUHOORSA-N 2 2 266.389 -0.463 20 0 CBADLP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCCn1cc[nH+]c1 ZINC001348515883 890640080 /nfs/dbraw/zinc/64/00/80/890640080.db2.gz AKOPXDRRAQQHEU-NWDGAFQWSA-N 2 2 263.345 -0.612 20 0 CBADLP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCCn1cc[nH+]c1 ZINC001348515883 890640092 /nfs/dbraw/zinc/64/00/92/890640092.db2.gz AKOPXDRRAQQHEU-NWDGAFQWSA-N 2 2 263.345 -0.612 20 0 CBADLP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCCn1cc[nH+]c1 ZINC001348515882 890640399 /nfs/dbraw/zinc/64/03/99/890640399.db2.gz AKOPXDRRAQQHEU-NEPJUHHUSA-N 2 2 263.345 -0.612 20 0 CBADLP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCCn1cc[nH+]c1 ZINC001348515882 890640403 /nfs/dbraw/zinc/64/04/03/890640403.db2.gz AKOPXDRRAQQHEU-NEPJUHHUSA-N 2 2 263.345 -0.612 20 0 CBADLP OCC[NH2+]C1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC001348562645 890651325 /nfs/dbraw/zinc/65/13/25/890651325.db2.gz MTMRBGKVDKQQIY-CYBMUJFWSA-N 3 2 269.389 -0.446 20 0 CBADLP CNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001448995624 913478065 /nfs/dbraw/zinc/47/80/65/913478065.db2.gz JLWMALGFIIQQEG-CMPLNLGQSA-N 2 2 293.371 -0.333 20 0 CBADLP CNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001448995624 913478085 /nfs/dbraw/zinc/47/80/85/913478085.db2.gz JLWMALGFIIQQEG-CMPLNLGQSA-N 2 2 293.371 -0.333 20 0 CBADLP CNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001448995629 913479124 /nfs/dbraw/zinc/47/91/24/913479124.db2.gz JLWMALGFIIQQEG-PWSUYJOCSA-N 2 2 293.371 -0.333 20 0 CBADLP CNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001448995629 913479133 /nfs/dbraw/zinc/47/91/33/913479133.db2.gz JLWMALGFIIQQEG-PWSUYJOCSA-N 2 2 293.371 -0.333 20 0 CBADLP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCCc1[nH]cc[nH+]1 ZINC001348831009 890710372 /nfs/dbraw/zinc/71/03/72/890710372.db2.gz PKZRDBHERZUNHA-GHMZBOCLSA-N 2 2 263.345 -0.543 20 0 CBADLP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCCc1[nH]cc[nH+]1 ZINC001348831009 890710387 /nfs/dbraw/zinc/71/03/87/890710387.db2.gz PKZRDBHERZUNHA-GHMZBOCLSA-N 2 2 263.345 -0.543 20 0 CBADLP C[C@H](C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1)[NH+](C)C ZINC001348944489 890731205 /nfs/dbraw/zinc/73/12/05/890731205.db2.gz QMBQITOAEGSKAK-NXEZZACHSA-N 2 2 256.350 -0.998 20 0 CBADLP C[C@H](C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1)[NH+](C)C ZINC001348944489 890731224 /nfs/dbraw/zinc/73/12/24/890731224.db2.gz QMBQITOAEGSKAK-NXEZZACHSA-N 2 2 256.350 -0.998 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NCCNC(=O)C[NH+]1CCCC1 ZINC001349028816 890749648 /nfs/dbraw/zinc/74/96/48/890749648.db2.gz LJJLHROALXFSEW-UHFFFAOYSA-N 2 2 279.344 -0.720 20 0 CBADLP C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@H](C)[NH+]2CCN(C)CC2)C1 ZINC001349417663 890808709 /nfs/dbraw/zinc/80/87/09/890808709.db2.gz IHMVSISANOEZPX-AVGNSLFASA-N 2 2 268.405 -0.182 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001449068989 913493031 /nfs/dbraw/zinc/49/30/31/913493031.db2.gz WRTHOLIKFYVXJY-VXGBXAGGSA-N 2 2 293.371 -0.496 20 0 CBADLP C[NH+]1CCN(C2CC[NH+]([C@@H]3CCC(=O)NC3=O)CC2)CC1 ZINC001349689722 890868912 /nfs/dbraw/zinc/86/89/12/890868912.db2.gz PLSIUSGOBVALRN-CYBMUJFWSA-N 2 2 294.399 -0.497 20 0 CBADLP [NH3+][C@@H]1CCCCCN(C(=O)C(=O)NCCn2cc[nH+]c2)C1 ZINC001349992889 890921703 /nfs/dbraw/zinc/92/17/03/890921703.db2.gz SOBDADNQAXSQRM-GFCCVEGCSA-N 2 2 293.371 -0.271 20 0 CBADLP Cn1c[nH+]cc1[C@@H](CO)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001350563457 891006197 /nfs/dbraw/zinc/00/61/97/891006197.db2.gz ZQDFCVUPBJWOPR-GHMZBOCLSA-N 2 2 266.345 -0.089 20 0 CBADLP Cn1c[nH+]cc1[C@@H](CO)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001350563457 891006213 /nfs/dbraw/zinc/00/62/13/891006213.db2.gz ZQDFCVUPBJWOPR-GHMZBOCLSA-N 2 2 266.345 -0.089 20 0 CBADLP O=C1C[C@H](CC[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)CN1 ZINC001350953923 891076340 /nfs/dbraw/zinc/07/63/40/891076340.db2.gz AEXWQXZEBSLYAV-ZKYQVNSYSA-N 2 2 267.373 -0.131 20 0 CBADLP C[C@@]1(C2CC2)COCC[N@@H+]1CC(=O)N1CC[NH2+]CC1 ZINC001352777142 891293925 /nfs/dbraw/zinc/29/39/25/891293925.db2.gz FLXQOPRONMGKAO-AWEZNQCLSA-N 2 2 267.373 -0.081 20 0 CBADLP C[C@@]1(C2CC2)COCC[N@H+]1CC(=O)N1CC[NH2+]CC1 ZINC001352777142 891293940 /nfs/dbraw/zinc/29/39/40/891293940.db2.gz FLXQOPRONMGKAO-AWEZNQCLSA-N 2 2 267.373 -0.081 20 0 CBADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@H](C)[NH3+] ZINC001353432371 891426214 /nfs/dbraw/zinc/42/62/14/891426214.db2.gz ZVHLRKATYALKSQ-WDEREUQCSA-N 2 2 258.366 -0.256 20 0 CBADLP CN(CCOCCO)C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001353466168 891429940 /nfs/dbraw/zinc/42/99/40/891429940.db2.gz DFVIZUZJXDXJQX-UHFFFAOYSA-N 2 2 288.392 -0.940 20 0 CBADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1C[C@@H]1C[NH3+] ZINC001353591565 891451025 /nfs/dbraw/zinc/45/10/25/891451025.db2.gz PAYJCNAGIOQYKU-IJLUTSLNSA-N 2 2 254.378 -0.667 20 0 CBADLP [NH3+][C@@H](C[NH2+]CCCN1CC[NH2+]CC1)CC(F)F ZINC001353943030 891491481 /nfs/dbraw/zinc/49/14/81/891491481.db2.gz LCYQUXHIVWVLDY-SNVBAGLBSA-N 3 2 250.337 -0.146 20 0 CBADLP C[C@H](O)C[N@@H+]1CCN(c2cc[nH+]c(N)n2)[C@H](C)C1 ZINC001354167925 891526665 /nfs/dbraw/zinc/52/66/65/891526665.db2.gz RHFNEVVDEYRCLL-ZJUUUORDSA-N 2 2 251.334 -0.050 20 0 CBADLP C[C@H](O)C[N@H+]1CCN(c2cc[nH+]c(N)n2)[C@H](C)C1 ZINC001354167925 891526672 /nfs/dbraw/zinc/52/66/72/891526672.db2.gz RHFNEVVDEYRCLL-ZJUUUORDSA-N 2 2 251.334 -0.050 20 0 CBADLP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC001356438611 891760255 /nfs/dbraw/zinc/76/02/55/891760255.db2.gz PZFVTVMEHQFQGE-GMTAPVOTSA-N 2 2 291.355 -0.962 20 0 CBADLP COCCOC[C@@H](O)C[NH2+][C@@H]1Cc2c[nH+]cn2C1 ZINC001357209034 891858804 /nfs/dbraw/zinc/85/88/04/891858804.db2.gz FAEPMZDQFYHSFA-PWSUYJOCSA-N 2 2 255.318 -0.579 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)NCc2ccon2)CC1 ZINC001357242539 891861635 /nfs/dbraw/zinc/86/16/35/891861635.db2.gz MRFZHCFUVJGLDO-UHFFFAOYSA-N 2 2 267.333 -0.103 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)[C@H]2[C@@H]3CC[NH2+]C[C@@H]32)CCO1 ZINC001357385618 891883498 /nfs/dbraw/zinc/88/34/98/891883498.db2.gz XKZHZMYAWVPUDK-RNJOBUHISA-N 2 2 267.373 -0.321 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)[C@H]2[C@@H]3CC[NH2+]C[C@@H]32)CCO1 ZINC001357385618 891883516 /nfs/dbraw/zinc/88/35/16/891883516.db2.gz XKZHZMYAWVPUDK-RNJOBUHISA-N 2 2 267.373 -0.321 20 0 CBADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)NC/C=C\C[NH3+] ZINC001357483555 891902943 /nfs/dbraw/zinc/90/29/43/891902943.db2.gz MAPVUKXYAHPFOF-MVZIDQBPSA-N 2 2 270.377 -0.089 20 0 CBADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N(C)CC[NH3+] ZINC001357581052 891913653 /nfs/dbraw/zinc/91/36/53/891913653.db2.gz ASWAMFCVAQGMQU-LLVKDONJSA-N 2 2 258.366 -0.303 20 0 CBADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC001358239042 891981714 /nfs/dbraw/zinc/98/17/14/891981714.db2.gz WCMXJFWCGRNVJF-GXFFZTMASA-N 2 2 266.345 -0.100 20 0 CBADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC001358239042 891981732 /nfs/dbraw/zinc/98/17/32/891981732.db2.gz WCMXJFWCGRNVJF-GXFFZTMASA-N 2 2 266.345 -0.100 20 0 CBADLP O=C(C1C[NH+]([C@H]2CCOC2)C1)N1CC[N@@H+]2C[C@@H](F)C[C@H]2C1 ZINC001362620504 892853800 /nfs/dbraw/zinc/85/38/00/892853800.db2.gz PXYCKJOYYCXDBV-IHRRRGAJSA-N 2 2 297.374 -0.038 20 0 CBADLP O=C(C1C[NH+]([C@H]2CCOC2)C1)N1CC[N@H+]2C[C@@H](F)C[C@H]2C1 ZINC001362620504 892853811 /nfs/dbraw/zinc/85/38/11/892853811.db2.gz PXYCKJOYYCXDBV-IHRRRGAJSA-N 2 2 297.374 -0.038 20 0 CBADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@](C)(O)C[NH+](C)C ZINC001362660732 892896098 /nfs/dbraw/zinc/89/60/98/892896098.db2.gz DMCIVRALJJKJJA-GYSYKLTISA-N 2 2 280.372 -0.048 20 0 CBADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC001362661054 892897047 /nfs/dbraw/zinc/89/70/47/892897047.db2.gz DMCIVRALJJKJJA-JTNHKYCSSA-N 2 2 280.372 -0.048 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N1CC(C[NH+]2CCN(C)CC2)C1 ZINC001362926436 893180015 /nfs/dbraw/zinc/18/00/15/893180015.db2.gz KEGRCNNOYKKGNY-UHFFFAOYSA-N 2 2 291.399 -0.103 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N1CC(CN2CC[NH+](C)CC2)C1 ZINC001362926436 893180018 /nfs/dbraw/zinc/18/00/18/893180018.db2.gz KEGRCNNOYKKGNY-UHFFFAOYSA-N 2 2 291.399 -0.103 20 0 CBADLP CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](C)CC[NH+](C)C ZINC001363542381 893777670 /nfs/dbraw/zinc/77/76/70/893777670.db2.gz GIBLNLTVGMGZMN-PWSUYJOCSA-N 2 2 295.387 -0.229 20 0 CBADLP CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](C)CC[NH+](C)C ZINC001363542381 893777679 /nfs/dbraw/zinc/77/76/79/893777679.db2.gz GIBLNLTVGMGZMN-PWSUYJOCSA-N 2 2 295.387 -0.229 20 0 CBADLP COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C1CC[NH+](C)CC1 ZINC001363640371 893866554 /nfs/dbraw/zinc/86/65/54/893866554.db2.gz KCMHHDDWKIQCFG-GFCCVEGCSA-N 2 2 294.355 -0.048 20 0 CBADLP COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C1CC[NH+](C)CC1 ZINC001363640371 893866575 /nfs/dbraw/zinc/86/65/75/893866575.db2.gz KCMHHDDWKIQCFG-GFCCVEGCSA-N 2 2 294.355 -0.048 20 0 CBADLP Cn1nnnc1CC[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC001364509905 894465694 /nfs/dbraw/zinc/46/56/94/894465694.db2.gz LLAZWLOXRAXVEF-UHFFFAOYSA-N 2 2 294.403 -0.014 20 0 CBADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCN2CCOC[C@]2(CO)C1 ZINC001364529197 894477573 /nfs/dbraw/zinc/47/75/73/894477573.db2.gz KAOZCHVULQYLES-HUUCEWRRSA-N 2 2 283.416 -0.150 20 0 CBADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCN2CCOC[C@]2(CO)C1 ZINC001364529197 894477575 /nfs/dbraw/zinc/47/75/75/894477575.db2.gz KAOZCHVULQYLES-HUUCEWRRSA-N 2 2 283.416 -0.150 20 0 CBADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCN2CCOC[C@]2(CO)C1 ZINC001364529197 894477577 /nfs/dbraw/zinc/47/75/77/894477577.db2.gz KAOZCHVULQYLES-HUUCEWRRSA-N 2 2 283.416 -0.150 20 0 CBADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCN2CCOC[C@]2(CO)C1 ZINC001364529197 894477581 /nfs/dbraw/zinc/47/75/81/894477581.db2.gz KAOZCHVULQYLES-HUUCEWRRSA-N 2 2 283.416 -0.150 20 0 CBADLP Cn1ccc(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)n1 ZINC001364595282 894513463 /nfs/dbraw/zinc/51/34/63/894513463.db2.gz PGEUNNQADKJQSY-HNNXBMFYSA-N 2 2 293.415 -0.084 20 0 CBADLP CNC(=O)N[C@@H]1CC[N@H+](CC(=O)NC2CC[NH+](C)CC2)C1 ZINC001364697161 894568303 /nfs/dbraw/zinc/56/83/03/894568303.db2.gz ZAYBVHCFLUMQLA-GFCCVEGCSA-N 2 2 297.403 -0.800 20 0 CBADLP CNC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC2CC[NH+](C)CC2)C1 ZINC001364697161 894568311 /nfs/dbraw/zinc/56/83/11/894568311.db2.gz ZAYBVHCFLUMQLA-GFCCVEGCSA-N 2 2 297.403 -0.800 20 0 CBADLP CC[C@H](C)[N@@H+](C)CCNS(=O)(=O)N1CC[NH+](C)CC1 ZINC001364767035 894606250 /nfs/dbraw/zinc/60/62/50/894606250.db2.gz LOHBGQOXCNJVCY-LBPRGKRZSA-N 2 2 292.449 -0.202 20 0 CBADLP CCc1[nH]c(CNC(=O)[C@@H]2C[N@@H+]3CCN2C[C@H]3C)c[nH+]1 ZINC001364949222 894696986 /nfs/dbraw/zinc/69/69/86/894696986.db2.gz OQPNHHUGKYOXFV-PWSUYJOCSA-N 2 2 277.372 -0.023 20 0 CBADLP CCc1[nH]c(CNC(=O)[C@@H]2C[N@H+]3CCN2C[C@H]3C)c[nH+]1 ZINC001364949222 894696995 /nfs/dbraw/zinc/69/69/95/894696995.db2.gz OQPNHHUGKYOXFV-PWSUYJOCSA-N 2 2 277.372 -0.023 20 0 CBADLP CCc1[nH]cc(CNC(=O)[C@@H]2C[N@@H+]3CCN2C[C@H]3C)[nH+]1 ZINC001364949222 894697006 /nfs/dbraw/zinc/69/70/06/894697006.db2.gz OQPNHHUGKYOXFV-PWSUYJOCSA-N 2 2 277.372 -0.023 20 0 CBADLP CCc1[nH]cc(CNC(=O)[C@@H]2C[N@H+]3CCN2C[C@H]3C)[nH+]1 ZINC001364949222 894697021 /nfs/dbraw/zinc/69/70/21/894697021.db2.gz OQPNHHUGKYOXFV-PWSUYJOCSA-N 2 2 277.372 -0.023 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@@](C)(COC)CC(=O)OC ZINC001365273664 894863159 /nfs/dbraw/zinc/86/31/59/894863159.db2.gz GQUHKYSLQVKWFS-DGCLKSJQSA-N 2 2 276.377 -0.143 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@](C)(COC)CC(=O)OC ZINC001365273664 894863173 /nfs/dbraw/zinc/86/31/73/894863173.db2.gz GQUHKYSLQVKWFS-DGCLKSJQSA-N 2 2 276.377 -0.143 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1C[C@@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001365825166 895129351 /nfs/dbraw/zinc/12/93/51/895129351.db2.gz GFIQZWJAEAIDBO-MXWKQRLJSA-N 2 2 293.371 -0.381 20 0 CBADLP COC[C@H](O)C[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001365998872 895165137 /nfs/dbraw/zinc/16/51/37/895165137.db2.gz MSMHPLQLMHRHAB-VXGBXAGGSA-N 2 2 296.371 -0.542 20 0 CBADLP COC[C@H](O)C[N@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001365998872 895165145 /nfs/dbraw/zinc/16/51/45/895165145.db2.gz MSMHPLQLMHRHAB-VXGBXAGGSA-N 2 2 296.371 -0.542 20 0 CBADLP CC[C@H]([NH2+][C@H](C)CNC(=O)CCc1[nH+]ccn1C)C(N)=O ZINC001366305418 895267720 /nfs/dbraw/zinc/26/77/20/895267720.db2.gz HLRRUADCGMNSKV-MNOVXSKESA-N 2 2 295.387 -0.289 20 0 CBADLP CC[C@@H]([NH2+][C@@H](C)CNC(=O)CCc1[nH+]ccn1C)C(N)=O ZINC001366305430 895268436 /nfs/dbraw/zinc/26/84/36/895268436.db2.gz HLRRUADCGMNSKV-WDEREUQCSA-N 2 2 295.387 -0.289 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001366349061 895288118 /nfs/dbraw/zinc/28/81/18/895288118.db2.gz VGBHJUBQIHHHKL-UWVGGRQHSA-N 2 2 281.360 -0.809 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001366349072 895289950 /nfs/dbraw/zinc/28/99/50/895289950.db2.gz VGBHJUBQIHHHKL-ZJUUUORDSA-N 2 2 281.360 -0.809 20 0 CBADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CCc1ccnn1C ZINC001366373429 895297607 /nfs/dbraw/zinc/29/76/07/895297607.db2.gz NROOPEJLKUBFKX-LBPRGKRZSA-N 2 2 290.371 -0.046 20 0 CBADLP CNC(=O)C[NH2+][C@H]1CCC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001366427541 895316657 /nfs/dbraw/zinc/31/66/57/895316657.db2.gz LZCWHNNHXCPCPU-WDEREUQCSA-N 2 2 293.371 -0.285 20 0 CBADLP CNC(=O)C[N@H+](C)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001366426997 895318412 /nfs/dbraw/zinc/31/84/12/895318412.db2.gz IMYGLKTVEIMWTR-LBPRGKRZSA-N 2 2 293.371 -0.448 20 0 CBADLP CNC(=O)C[N@@H+](C)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001366426997 895318424 /nfs/dbraw/zinc/31/84/24/895318424.db2.gz IMYGLKTVEIMWTR-LBPRGKRZSA-N 2 2 293.371 -0.448 20 0 CBADLP NC(=O)C[NH2+][C@@H]1CCC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001366433150 895322378 /nfs/dbraw/zinc/32/23/78/895322378.db2.gz NGSFLWONBNOJGM-GHMZBOCLSA-N 2 2 293.371 -0.155 20 0 CBADLP NC(=O)C[NH2+][C@@H]1CCC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001366433150 895322391 /nfs/dbraw/zinc/32/23/91/895322391.db2.gz NGSFLWONBNOJGM-GHMZBOCLSA-N 2 2 293.371 -0.155 20 0 CBADLP CN(C)C(=O)C[N@@H+](C)CCNC(=O)C[NH+](C)C1CCC1 ZINC001366535060 895360410 /nfs/dbraw/zinc/36/04/10/895360410.db2.gz DQPKAVBAURTOQI-UHFFFAOYSA-N 2 2 284.404 -0.393 20 0 CBADLP CN(C)C(=O)C[NH+](C)CCNC(=O)C[N@H+](C)C1CCC1 ZINC001366535060 895360430 /nfs/dbraw/zinc/36/04/30/895360430.db2.gz DQPKAVBAURTOQI-UHFFFAOYSA-N 2 2 284.404 -0.393 20 0 CBADLP CN(C)C(=O)C[NH+](C)CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001366535060 895360448 /nfs/dbraw/zinc/36/04/48/895360448.db2.gz DQPKAVBAURTOQI-UHFFFAOYSA-N 2 2 284.404 -0.393 20 0 CBADLP CCN(C)C(=O)C[N@@H+](C)CCNC(=O)C[NH+](C)C1CCC1 ZINC001366536849 895360962 /nfs/dbraw/zinc/36/09/62/895360962.db2.gz LYFZBQKYZULJBI-UHFFFAOYSA-N 2 2 298.431 -0.003 20 0 CBADLP CCN(C)C(=O)C[NH+](C)CCNC(=O)C[N@H+](C)C1CCC1 ZINC001366536849 895360979 /nfs/dbraw/zinc/36/09/79/895360979.db2.gz LYFZBQKYZULJBI-UHFFFAOYSA-N 2 2 298.431 -0.003 20 0 CBADLP CCN(C)C(=O)C[NH+](C)CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001366536849 895360998 /nfs/dbraw/zinc/36/09/98/895360998.db2.gz LYFZBQKYZULJBI-UHFFFAOYSA-N 2 2 298.431 -0.003 20 0 CBADLP C[C@H](C(N)=O)[N@H+](C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001366550648 895376196 /nfs/dbraw/zinc/37/61/96/895376196.db2.gz OSGPFZOTTWMACY-LLVKDONJSA-N 2 2 282.388 -0.463 20 0 CBADLP C[C@H](C(N)=O)[N@@H+](C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001366550648 895376209 /nfs/dbraw/zinc/37/62/09/895376209.db2.gz OSGPFZOTTWMACY-LLVKDONJSA-N 2 2 282.388 -0.463 20 0 CBADLP CNC(=O)C[N@H+](C)CCNC(=O)C[NH+](C)CC(C)(C)C ZINC001366565387 895380518 /nfs/dbraw/zinc/38/05/18/895380518.db2.gz IOHYUHSEVNLEJU-UHFFFAOYSA-N 2 2 286.420 -0.242 20 0 CBADLP CNC(=O)C[N@@H+](C)CCNC(=O)C[NH+](C)CC(C)(C)C ZINC001366565387 895380531 /nfs/dbraw/zinc/38/05/31/895380531.db2.gz IOHYUHSEVNLEJU-UHFFFAOYSA-N 2 2 286.420 -0.242 20 0 CBADLP CNC(=O)C[NH+](C)CCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001366565387 895380543 /nfs/dbraw/zinc/38/05/43/895380543.db2.gz IOHYUHSEVNLEJU-UHFFFAOYSA-N 2 2 286.420 -0.242 20 0 CBADLP CNC(=O)C[NH+](C)CCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001366565387 895380555 /nfs/dbraw/zinc/38/05/55/895380555.db2.gz IOHYUHSEVNLEJU-UHFFFAOYSA-N 2 2 286.420 -0.242 20 0 CBADLP C[NH+](C)CCC(=O)NCC[N@H+](C)CC(=O)N1CCC1 ZINC001366559482 895384367 /nfs/dbraw/zinc/38/43/67/895384367.db2.gz OUFZWAWSHJDLMP-UHFFFAOYSA-N 2 2 270.377 -0.782 20 0 CBADLP C[NH+](C)CCC(=O)NCC[N@@H+](C)CC(=O)N1CCC1 ZINC001366559482 895384383 /nfs/dbraw/zinc/38/43/83/895384383.db2.gz OUFZWAWSHJDLMP-UHFFFAOYSA-N 2 2 270.377 -0.782 20 0 CBADLP CC[N@H+](CCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)CC(N)=O ZINC001366611941 895411534 /nfs/dbraw/zinc/41/15/34/895411534.db2.gz GTQVPRNQIHUZPY-QWHCGFSZSA-N 2 2 296.415 -0.073 20 0 CBADLP CC[N@@H+](CCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)CC(N)=O ZINC001366611941 895411540 /nfs/dbraw/zinc/41/15/40/895411540.db2.gz GTQVPRNQIHUZPY-QWHCGFSZSA-N 2 2 296.415 -0.073 20 0 CBADLP CC[NH+](CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12)CC(N)=O ZINC001366611941 895411549 /nfs/dbraw/zinc/41/15/49/895411549.db2.gz GTQVPRNQIHUZPY-QWHCGFSZSA-N 2 2 296.415 -0.073 20 0 CBADLP CC[NH+](CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12)CC(N)=O ZINC001366611941 895411560 /nfs/dbraw/zinc/41/15/60/895411560.db2.gz GTQVPRNQIHUZPY-QWHCGFSZSA-N 2 2 296.415 -0.073 20 0 CBADLP CC1CC[NH+](CC(=O)NC[C@@H]2CCC[N@@H+]2CC(N)=O)CC1 ZINC001366672206 895425645 /nfs/dbraw/zinc/42/56/45/895425645.db2.gz KABRESLRQYWYFK-ZDUSSCGKSA-N 2 2 296.415 -0.216 20 0 CBADLP CC1CC[NH+](CC(=O)NC[C@@H]2CCC[N@H+]2CC(N)=O)CC1 ZINC001366672206 895425658 /nfs/dbraw/zinc/42/56/58/895425658.db2.gz KABRESLRQYWYFK-ZDUSSCGKSA-N 2 2 296.415 -0.216 20 0 CBADLP CN(C)C(=O)C[N@@H+]1CC[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001366700970 895434103 /nfs/dbraw/zinc/43/41/03/895434103.db2.gz WKNQMKDWJDAEDC-NSHDSACASA-N 2 2 293.371 -0.522 20 0 CBADLP CN(C)C(=O)C[N@H+]1CC[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001366700970 895434110 /nfs/dbraw/zinc/43/41/10/895434110.db2.gz WKNQMKDWJDAEDC-NSHDSACASA-N 2 2 293.371 -0.522 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001366700095 895436214 /nfs/dbraw/zinc/43/62/14/895436214.db2.gz UXOUDPDAPBUURX-ZYHUDNBSSA-N 2 2 291.355 -0.721 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001366700095 895436223 /nfs/dbraw/zinc/43/62/23/895436223.db2.gz UXOUDPDAPBUURX-ZYHUDNBSSA-N 2 2 291.355 -0.721 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001366712661 895438465 /nfs/dbraw/zinc/43/84/65/895438465.db2.gz XBWZSLRHCHQAKO-WDEREUQCSA-N 2 2 293.371 -0.726 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CC[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001366712661 895438475 /nfs/dbraw/zinc/43/84/75/895438475.db2.gz XBWZSLRHCHQAKO-WDEREUQCSA-N 2 2 293.371 -0.726 20 0 CBADLP CNC(=O)C[N@H+](CCNC(=O)C[NH+]1CC[C@@H](C)C1)C1CC1 ZINC001366753170 895449099 /nfs/dbraw/zinc/44/90/99/895449099.db2.gz ZSBNDSIBMFOYAJ-GFCCVEGCSA-N 2 2 296.415 -0.345 20 0 CBADLP CNC(=O)C[N@@H+](CCNC(=O)C[NH+]1CC[C@@H](C)C1)C1CC1 ZINC001366753170 895449105 /nfs/dbraw/zinc/44/91/05/895449105.db2.gz ZSBNDSIBMFOYAJ-GFCCVEGCSA-N 2 2 296.415 -0.345 20 0 CBADLP CNC(=O)C[NH+](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC1 ZINC001366753170 895449111 /nfs/dbraw/zinc/44/91/11/895449111.db2.gz ZSBNDSIBMFOYAJ-GFCCVEGCSA-N 2 2 296.415 -0.345 20 0 CBADLP CNC(=O)C[NH+](CCNC(=O)C[N@H+]1CC[C@@H](C)C1)C1CC1 ZINC001366753170 895449115 /nfs/dbraw/zinc/44/91/15/895449115.db2.gz ZSBNDSIBMFOYAJ-GFCCVEGCSA-N 2 2 296.415 -0.345 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CC[C@H](CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001366848027 895468300 /nfs/dbraw/zinc/46/83/00/895468300.db2.gz WQWRSSPYZAFPOZ-MNOVXSKESA-N 2 2 293.371 -0.346 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CC[C@H](CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001366848027 895468305 /nfs/dbraw/zinc/46/83/05/895468305.db2.gz WQWRSSPYZAFPOZ-MNOVXSKESA-N 2 2 293.371 -0.346 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001366892723 895475705 /nfs/dbraw/zinc/47/57/05/895475705.db2.gz ILDGRLNMVMOQFH-VXGBXAGGSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001366892723 895475714 /nfs/dbraw/zinc/47/57/14/895475714.db2.gz ILDGRLNMVMOQFH-VXGBXAGGSA-N 2 2 296.415 -0.217 20 0 CBADLP CN(C)C(=O)C[NH+]1CC(CNC(=O)CCC[NH+](C)C)C1 ZINC001366972454 895511830 /nfs/dbraw/zinc/51/18/30/895511830.db2.gz DLAQSWUAHKXQNH-UHFFFAOYSA-N 2 2 284.404 -0.536 20 0 CBADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001366989261 895515740 /nfs/dbraw/zinc/51/57/40/895515740.db2.gz NXPJSOOGRFDQHS-GHMZBOCLSA-N 2 2 282.388 -0.608 20 0 CBADLP CNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)C[NH+]2CCCC2)C1 ZINC001366987592 895518155 /nfs/dbraw/zinc/51/81/55/895518155.db2.gz FOINAZWWDLSZKT-LLVKDONJSA-N 2 2 282.388 -0.735 20 0 CBADLP CC[C@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)[NH2+]CC(N)=O ZINC001367108354 895566455 /nfs/dbraw/zinc/56/64/55/895566455.db2.gz KLZNKVUQGINBEQ-WDEREUQCSA-N 2 2 293.371 -0.585 20 0 CBADLP CC[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CC(=O)N(C)C ZINC001367155095 895579649 /nfs/dbraw/zinc/57/96/49/895579649.db2.gz UPZFKZVHNKHSPT-NSHDSACASA-N 2 2 281.360 -0.544 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](C[C@@H](C)O)CCO1 ZINC001367310579 895611748 /nfs/dbraw/zinc/61/17/48/895611748.db2.gz VPJRXTIQFLJWFY-CHWSQXEVSA-N 2 2 287.404 -0.476 20 0 CBADLP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@H+](C[C@@H](C)O)CCO1 ZINC001367310579 895611740 /nfs/dbraw/zinc/61/17/40/895611740.db2.gz VPJRXTIQFLJWFY-CHWSQXEVSA-N 2 2 287.404 -0.476 20 0 CBADLP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](C[C@@H](C)O)CCO1 ZINC001367310579 895611741 /nfs/dbraw/zinc/61/17/41/895611741.db2.gz VPJRXTIQFLJWFY-CHWSQXEVSA-N 2 2 287.404 -0.476 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NC[C@@H]1C[NH+](C[C@@H](C)O)CCO1 ZINC001367310579 895611753 /nfs/dbraw/zinc/61/17/53/895611753.db2.gz VPJRXTIQFLJWFY-CHWSQXEVSA-N 2 2 287.404 -0.476 20 0 CBADLP C[C@@H](C[N@H+](C)[C@@H](C)C(N)=O)NC(=O)CCCn1cc[nH+]c1 ZINC001367870867 895839060 /nfs/dbraw/zinc/83/90/60/895839060.db2.gz UZZATSMZFVSTAO-RYUDHWBXSA-N 2 2 295.387 -0.026 20 0 CBADLP C[C@@H](C[N@@H+](C)[C@@H](C)C(N)=O)NC(=O)CCCn1cc[nH+]c1 ZINC001367870867 895839076 /nfs/dbraw/zinc/83/90/76/895839076.db2.gz UZZATSMZFVSTAO-RYUDHWBXSA-N 2 2 295.387 -0.026 20 0 CBADLP Cc1nnc(C[NH2+]C2(CNC(=O)[C@H]3CC[N@@H+](C)C3)CC2)[nH]1 ZINC001368034767 895897775 /nfs/dbraw/zinc/89/77/75/895897775.db2.gz JVYBJOVQUHDERS-NSHDSACASA-N 2 2 292.387 -0.197 20 0 CBADLP Cc1nnc(C[NH2+]C2(CNC(=O)[C@H]3CC[N@H+](C)C3)CC2)[nH]1 ZINC001368034767 895897786 /nfs/dbraw/zinc/89/77/86/895897786.db2.gz JVYBJOVQUHDERS-NSHDSACASA-N 2 2 292.387 -0.197 20 0 CBADLP Cc1[nH+]ccn1CCNC(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC001368046998 895901233 /nfs/dbraw/zinc/90/12/33/895901233.db2.gz WCYZQGDSNPPJKY-LBPRGKRZSA-N 2 2 295.387 -0.100 20 0 CBADLP Cc1[nH+]ccn1CCNC(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC001368046998 895901241 /nfs/dbraw/zinc/90/12/41/895901241.db2.gz WCYZQGDSNPPJKY-LBPRGKRZSA-N 2 2 295.387 -0.100 20 0 CBADLP COC[C@H](O)C[NH+]1CC(N(C)C(=O)C[N@H+](C)C2CCC2)C1 ZINC001368069063 895904462 /nfs/dbraw/zinc/90/44/62/895904462.db2.gz WVYQZIKDQMHLKS-CQSZACIVSA-N 2 2 299.415 -0.379 20 0 CBADLP COC[C@H](O)C[NH+]1CC(N(C)C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001368069063 895904473 /nfs/dbraw/zinc/90/44/73/895904473.db2.gz WVYQZIKDQMHLKS-CQSZACIVSA-N 2 2 299.415 -0.379 20 0 CBADLP COC[C@@H](C)[NH+]1CC(O)(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001368318947 895980198 /nfs/dbraw/zinc/98/01/98/895980198.db2.gz OHIUFZCPBOOPPN-OLZOCXBDSA-N 2 2 299.415 -0.474 20 0 CBADLP COC[C@@H](C)[NH+]1CC(O)(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001368318947 895980202 /nfs/dbraw/zinc/98/02/02/895980202.db2.gz OHIUFZCPBOOPPN-OLZOCXBDSA-N 2 2 299.415 -0.474 20 0 CBADLP C[C@H](O)C[NH2+]C[C@H]1CN(C(=O)CCn2cc[nH+]c2)CCO1 ZINC001368511634 896024859 /nfs/dbraw/zinc/02/48/59/896024859.db2.gz VMDDLUGLWGKMHN-STQMWFEESA-N 2 2 296.371 -0.529 20 0 CBADLP C[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001368519507 896027746 /nfs/dbraw/zinc/02/77/46/896027746.db2.gz SYCQEQYJJNXSOJ-NWDGAFQWSA-N 2 2 282.344 -0.919 20 0 CBADLP CO[C@@H](C)C[NH+]1CC2(C1)C[C@@H](NC(=O)CC[NH+](C)C)CO2 ZINC001368596731 896044353 /nfs/dbraw/zinc/04/43/53/896044353.db2.gz MHYYSBZTGOCZBC-QWHCGFSZSA-N 2 2 299.415 -0.068 20 0 CBADLP C[C@H]([NH2+][C@H]1C[C@H](CNC(=O)Cc2c[nH+]cn2C)C1)C(N)=O ZINC001368604615 896045694 /nfs/dbraw/zinc/04/56/94/896045694.db2.gz HZIFUPVWBGIDEX-DCAQKATOSA-N 2 2 293.371 -0.679 20 0 CBADLP C[C@@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH2+]CC(N)=O ZINC001368736217 896071234 /nfs/dbraw/zinc/07/12/34/896071234.db2.gz IFQKKNHYFHAODL-HBNTYKKESA-N 2 2 293.371 -0.507 20 0 CBADLP C[C@@H]([NH2+]CC(N)=O)[C@H](C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001368860951 896099562 /nfs/dbraw/zinc/09/95/62/896099562.db2.gz HYDSOXNTOBXFDH-BDAKNGLRSA-N 2 2 297.359 -0.682 20 0 CBADLP CNC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001368896723 896106375 /nfs/dbraw/zinc/10/63/75/896106375.db2.gz AQHGLMOSHVTGJY-RYUDHWBXSA-N 2 2 295.387 -0.108 20 0 CBADLP CNC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001369077254 896150538 /nfs/dbraw/zinc/15/05/38/896150538.db2.gz RJCMRBHSKPOFSW-FZMZJTMJSA-N 2 2 298.431 -0.245 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@H](C)C1C[NH+](CC(N)=O)C1 ZINC001369098904 896152749 /nfs/dbraw/zinc/15/27/49/896152749.db2.gz GHMFEMDFETYVGV-SECBINFHSA-N 2 2 279.344 -0.887 20 0 CBADLP CC[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1)C(N)=O ZINC001369187972 896167309 /nfs/dbraw/zinc/16/73/09/896167309.db2.gz ZTDVDCFUGPMCHV-IJLUTSLNSA-N 2 2 293.371 -0.369 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@H](C)[NH2+][C@H](C)C(N)=O ZINC001369304710 896193042 /nfs/dbraw/zinc/19/30/42/896193042.db2.gz YMXWRAHQWIQXNS-WCBMZHEXSA-N 2 2 281.360 -0.429 20 0 CBADLP CCC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001369338939 896223029 /nfs/dbraw/zinc/22/30/29/896223029.db2.gz NPORPKQGJFBVOY-NEPJUHHUSA-N 2 2 280.372 -0.078 20 0 CBADLP CC[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc1cc(C)on1)[NH+](C)C ZINC001369375323 896246891 /nfs/dbraw/zinc/24/68/91/896246891.db2.gz BPODOGMWHHEKHR-OLZOCXBDSA-N 2 2 298.387 -0.110 20 0 CBADLP C[C@H]1[C@H]([NH2+]CC(N)=O)CCN1C(=O)CCCn1cc[nH+]c1 ZINC001369405389 896260671 /nfs/dbraw/zinc/26/06/71/896260671.db2.gz OZHHRZHHKKEQJT-NWDGAFQWSA-N 2 2 293.371 -0.272 20 0 CBADLP CN(C[C@H](O)C[NH2+]C[C@@H]1CCOC1)C(=O)Cc1c[nH+]c[nH]1 ZINC001369469643 896285043 /nfs/dbraw/zinc/28/50/43/896285043.db2.gz GRSAPKXLUMEFNC-WCQYABFASA-N 2 2 296.371 -0.602 20 0 CBADLP C[C@@H](O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001369515280 896304652 /nfs/dbraw/zinc/30/46/52/896304652.db2.gz DRQUOUKKVMWUON-ZYHUDNBSSA-N 2 2 284.360 -0.916 20 0 CBADLP C[C@@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001369515280 896304667 /nfs/dbraw/zinc/30/46/67/896304667.db2.gz DRQUOUKKVMWUON-ZYHUDNBSSA-N 2 2 284.360 -0.916 20 0 CBADLP CC[C@@H](C(=O)N[C@@H]1CCC[N@H+](CC(=O)NC)C1)[NH+](C)C ZINC001369842568 896346443 /nfs/dbraw/zinc/34/64/43/896346443.db2.gz BJEYBQPFBLTWNF-NEPJUHHUSA-N 2 2 284.404 -0.347 20 0 CBADLP CC[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CC(=O)NC)C1)[NH+](C)C ZINC001369842568 896346454 /nfs/dbraw/zinc/34/64/54/896346454.db2.gz BJEYBQPFBLTWNF-NEPJUHHUSA-N 2 2 284.404 -0.347 20 0 CBADLP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CC(=O)NC)C1 ZINC001370049578 896392759 /nfs/dbraw/zinc/39/27/59/896392759.db2.gz RYNJFLNORCNALJ-LLVKDONJSA-N 2 2 270.377 -0.735 20 0 CBADLP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](CC(=O)NC)C1 ZINC001370049578 896392778 /nfs/dbraw/zinc/39/27/78/896392778.db2.gz RYNJFLNORCNALJ-LLVKDONJSA-N 2 2 270.377 -0.735 20 0 CBADLP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+](CC(=O)NC)C1 ZINC001370049578 896392797 /nfs/dbraw/zinc/39/27/97/896392797.db2.gz RYNJFLNORCNALJ-LLVKDONJSA-N 2 2 270.377 -0.735 20 0 CBADLP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001370049578 896392816 /nfs/dbraw/zinc/39/28/16/896392816.db2.gz RYNJFLNORCNALJ-LLVKDONJSA-N 2 2 270.377 -0.735 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@@H](CNC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001370251751 896413214 /nfs/dbraw/zinc/41/32/14/896413214.db2.gz BVNGRGJDTFOGTN-ONGXEEELSA-N 2 2 293.371 -0.429 20 0 CBADLP CCN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001370423415 896426935 /nfs/dbraw/zinc/42/69/35/896426935.db2.gz BYCLOQLLYRTCCV-LBPRGKRZSA-N 2 2 293.371 -0.448 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001370843620 896511578 /nfs/dbraw/zinc/51/15/78/896511578.db2.gz IDTRDVFAUYUMEL-NSHDSACASA-N 2 2 293.371 -0.724 20 0 CBADLP C[C@H](NC(=O)Cn1cc[nH+]c1)[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001370969158 896526468 /nfs/dbraw/zinc/52/64/68/896526468.db2.gz GAVOXOYVJDXCEI-NWDGAFQWSA-N 2 2 293.371 -0.415 20 0 CBADLP C[C@H](NC(=O)Cn1cc[nH+]c1)[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001370969158 896526480 /nfs/dbraw/zinc/52/64/80/896526480.db2.gz GAVOXOYVJDXCEI-NWDGAFQWSA-N 2 2 293.371 -0.415 20 0 CBADLP Cc1nnc(C[NH2+][C@@H](C)CNC(=O)Cn2cc[nH+]c2C)[nH]1 ZINC001371468380 896615471 /nfs/dbraw/zinc/61/54/71/896615471.db2.gz HGWICRCYBUIPDF-VIFPVBQESA-N 2 2 291.359 -0.087 20 0 CBADLP COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001371510286 896627234 /nfs/dbraw/zinc/62/72/34/896627234.db2.gz MVOVXZHOOXEJQK-QWHCGFSZSA-N 2 2 296.371 -0.460 20 0 CBADLP COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001371510286 896627244 /nfs/dbraw/zinc/62/72/44/896627244.db2.gz MVOVXZHOOXEJQK-QWHCGFSZSA-N 2 2 296.371 -0.460 20 0 CBADLP CC(C)NC(=O)C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001371555597 896636862 /nfs/dbraw/zinc/63/68/62/896636862.db2.gz KRQBHQRAURZEDM-LBPRGKRZSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@@H](CCNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@@H]1CCN(C)C1=O ZINC001371864267 896673011 /nfs/dbraw/zinc/67/30/11/896673011.db2.gz RXEPOAWLKYNAIN-WDEREUQCSA-N 2 2 293.371 -0.333 20 0 CBADLP C[C@@H](CCNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@H]1CCN(C)C1=O ZINC001371864266 896674983 /nfs/dbraw/zinc/67/49/83/896674983.db2.gz RXEPOAWLKYNAIN-QWRGUYRKSA-N 2 2 293.371 -0.333 20 0 CBADLP CNC(=O)C[N@H+](C)CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001372234088 896752536 /nfs/dbraw/zinc/75/25/36/896752536.db2.gz DJFQFJDUEZANNR-RYUDHWBXSA-N 2 2 284.404 -0.347 20 0 CBADLP CNC(=O)C[N@@H+](C)CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001372234088 896752540 /nfs/dbraw/zinc/75/25/40/896752540.db2.gz DJFQFJDUEZANNR-RYUDHWBXSA-N 2 2 284.404 -0.347 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CCC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001372562019 896806364 /nfs/dbraw/zinc/80/63/64/896806364.db2.gz BEKNIACQWWXPMV-NEPJUHHUSA-N 2 2 282.388 -0.463 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CCC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001372562019 896806372 /nfs/dbraw/zinc/80/63/72/896806372.db2.gz BEKNIACQWWXPMV-NEPJUHHUSA-N 2 2 282.388 -0.463 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC[C@@H]1CCC[N@H+]1[C@H](C)C(N)=O ZINC001372567157 896810591 /nfs/dbraw/zinc/81/05/91/896810591.db2.gz MVLSVDZUJPDSPT-PWSUYJOCSA-N 2 2 293.371 -0.354 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC[C@@H]1CCC[N@@H+]1[C@H](C)C(N)=O ZINC001372567157 896810610 /nfs/dbraw/zinc/81/06/10/896810610.db2.gz MVLSVDZUJPDSPT-PWSUYJOCSA-N 2 2 293.371 -0.354 20 0 CBADLP Cn1ncc(C[N@@H+]2CC[C@H](CNC(=O)CC[NH+](C)C)C2)n1 ZINC001372652373 896830784 /nfs/dbraw/zinc/83/07/84/896830784.db2.gz PLOCELRNFSXCJB-GFCCVEGCSA-N 2 2 294.403 -0.295 20 0 CBADLP Cn1ncc(C[N@H+]2CC[C@H](CNC(=O)CC[NH+](C)C)C2)n1 ZINC001372652373 896830802 /nfs/dbraw/zinc/83/08/02/896830802.db2.gz PLOCELRNFSXCJB-GFCCVEGCSA-N 2 2 294.403 -0.295 20 0 CBADLP CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001372680618 896837680 /nfs/dbraw/zinc/83/76/80/896837680.db2.gz KCLKVFYYNBZPCN-GFCCVEGCSA-N 2 2 293.371 -0.543 20 0 CBADLP CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001372680618 896837689 /nfs/dbraw/zinc/83/76/89/896837689.db2.gz KCLKVFYYNBZPCN-GFCCVEGCSA-N 2 2 293.371 -0.543 20 0 CBADLP C[NH+](C)C1(C(=O)NCC[N@H+](CC(N)=O)C2CC2)CCC1 ZINC001372814093 896875226 /nfs/dbraw/zinc/87/52/26/896875226.db2.gz IMHHZELLALJPDK-UHFFFAOYSA-N 2 2 282.388 -0.463 20 0 CBADLP C[NH+](C)C1(C(=O)NCC[N@@H+](CC(N)=O)C2CC2)CCC1 ZINC001372814093 896875242 /nfs/dbraw/zinc/87/52/42/896875242.db2.gz IMHHZELLALJPDK-UHFFFAOYSA-N 2 2 282.388 -0.463 20 0 CBADLP CNC(=O)C[N@H+](CCNC(=O)C1([NH+](C)C)CCC1)C1CC1 ZINC001372817797 896875878 /nfs/dbraw/zinc/87/58/78/896875878.db2.gz SWJLMWUFJNXMQU-UHFFFAOYSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[N@@H+](CCNC(=O)C1([NH+](C)C)CCC1)C1CC1 ZINC001372817797 896875895 /nfs/dbraw/zinc/87/58/95/896875895.db2.gz SWJLMWUFJNXMQU-UHFFFAOYSA-N 2 2 296.415 -0.203 20 0 CBADLP CC[C@@H]([NH2+]CCN(C)C(=O)CCc1c[nH]c[nH+]1)C(N)=O ZINC001372942977 896908728 /nfs/dbraw/zinc/90/87/28/896908728.db2.gz VCNSRZAIUQXFEL-LLVKDONJSA-N 2 2 281.360 -0.346 20 0 CBADLP CC[C@@H]([NH2+]CCN(C)C(=O)CCc1c[nH+]c[nH]1)C(N)=O ZINC001372942977 896908739 /nfs/dbraw/zinc/90/87/39/896908739.db2.gz VCNSRZAIUQXFEL-LLVKDONJSA-N 2 2 281.360 -0.346 20 0 CBADLP C[C@@H]([NH2+]CCN(C)C(=O)Cc1c[nH+]c[nH]1)C(=O)NC1CC1 ZINC001372948268 896913666 /nfs/dbraw/zinc/91/36/66/896913666.db2.gz INKSLYHFTFRPCV-SNVBAGLBSA-N 2 2 293.371 -0.333 20 0 CBADLP CCCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001372979566 896920939 /nfs/dbraw/zinc/92/09/39/896920939.db2.gz HKAMTYBVFSGRPH-LLVKDONJSA-N 2 2 295.387 -0.085 20 0 CBADLP CN(CC[NH2+][C@@H]1CCCN(C)C1=O)C(=O)Cc1[nH]cc[nH+]1 ZINC001372975289 896921911 /nfs/dbraw/zinc/92/19/11/896921911.db2.gz BUYPYYRDIBLOCT-LLVKDONJSA-N 2 2 293.371 -0.379 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H](C[N@H+](C)CC(N)=O)C1 ZINC001373302634 896967216 /nfs/dbraw/zinc/96/72/16/896967216.db2.gz MFOMFEAMNCLGOA-NSHDSACASA-N 2 2 293.371 -0.772 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC001373302634 896967223 /nfs/dbraw/zinc/96/72/23/896967223.db2.gz MFOMFEAMNCLGOA-NSHDSACASA-N 2 2 293.371 -0.772 20 0 CBADLP CC[C@H](C(=O)N[C@@H]1CCC[N@H+](CC(=O)N(C)C)C1)[NH+](C)C ZINC001373378017 896989710 /nfs/dbraw/zinc/98/97/10/896989710.db2.gz FGABBHLKLKEDJV-CHWSQXEVSA-N 2 2 298.431 -0.005 20 0 CBADLP CC[C@H](C(=O)N[C@@H]1CCC[N@@H+](CC(=O)N(C)C)C1)[NH+](C)C ZINC001373378017 896989715 /nfs/dbraw/zinc/98/97/15/896989715.db2.gz FGABBHLKLKEDJV-CHWSQXEVSA-N 2 2 298.431 -0.005 20 0 CBADLP CC[C@@H](C(=O)N[C@@H]1CCC[N@@H+]([C@@H]2CCNC2=O)C1)[NH+](C)C ZINC001373380121 896989973 /nfs/dbraw/zinc/98/99/73/896989973.db2.gz IJZGPCOITTZHIN-FRRDWIJNSA-N 2 2 296.415 -0.204 20 0 CBADLP CC[C@@H](C(=O)N[C@@H]1CCC[N@H+]([C@@H]2CCNC2=O)C1)[NH+](C)C ZINC001373380121 896989984 /nfs/dbraw/zinc/98/99/84/896989984.db2.gz IJZGPCOITTZHIN-FRRDWIJNSA-N 2 2 296.415 -0.204 20 0 CBADLP COC[C@@H](O)C[NH+]1CC(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001373483497 897029445 /nfs/dbraw/zinc/02/94/45/897029445.db2.gz UJYOTJSCZYGGFT-AWEZNQCLSA-N 2 2 299.415 -0.330 20 0 CBADLP CCNC(=O)C[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001373501315 897034947 /nfs/dbraw/zinc/03/49/47/897034947.db2.gz DDUKHMHQZUDZBP-GFCCVEGCSA-N 2 2 282.388 -0.735 20 0 CBADLP CCNC(=O)C[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001373501315 897034956 /nfs/dbraw/zinc/03/49/56/897034956.db2.gz DDUKHMHQZUDZBP-GFCCVEGCSA-N 2 2 282.388 -0.735 20 0 CBADLP CC(C)NC(=O)C[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001373553119 897047704 /nfs/dbraw/zinc/04/77/04/897047704.db2.gz UFTNQZRSPLRFDF-ZDUSSCGKSA-N 2 2 296.415 -0.489 20 0 CBADLP CC(C)NC(=O)C[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001373553119 897047721 /nfs/dbraw/zinc/04/77/21/897047721.db2.gz UFTNQZRSPLRFDF-ZDUSSCGKSA-N 2 2 296.415 -0.489 20 0 CBADLP CC[C@H](C(=O)NCCN(C)C(=O)Cn1cc[nH+]c1)[NH+](C)C ZINC001373580023 897058323 /nfs/dbraw/zinc/05/83/23/897058323.db2.gz SFTJDOHCWZKTRP-GFCCVEGCSA-N 2 2 295.387 -0.202 20 0 CBADLP CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001373614075 897069461 /nfs/dbraw/zinc/06/94/61/897069461.db2.gz WCTLVQJETXSSAF-JSGCOSHPSA-N 2 2 298.431 -0.101 20 0 CBADLP CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001373614075 897069474 /nfs/dbraw/zinc/06/94/74/897069474.db2.gz WCTLVQJETXSSAF-JSGCOSHPSA-N 2 2 298.431 -0.101 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001373638910 897084724 /nfs/dbraw/zinc/08/47/24/897084724.db2.gz UNGBAZCJZMUMCJ-WDEREUQCSA-N 2 2 282.388 -0.608 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001373638910 897084728 /nfs/dbraw/zinc/08/47/28/897084728.db2.gz UNGBAZCJZMUMCJ-WDEREUQCSA-N 2 2 282.388 -0.608 20 0 CBADLP CCC[N@H+](C)CC(=O)N(CC)[C@H]1CC[NH+](CC(N)=O)C1 ZINC001373714852 897105616 /nfs/dbraw/zinc/10/56/16/897105616.db2.gz HBYAIDIIFIOXOZ-LBPRGKRZSA-N 2 2 284.404 -0.264 20 0 CBADLP CCC[N@@H+](C)CC(=O)N(CC)[C@H]1CC[NH+](CC(N)=O)C1 ZINC001373714852 897105624 /nfs/dbraw/zinc/10/56/24/897105624.db2.gz HBYAIDIIFIOXOZ-LBPRGKRZSA-N 2 2 284.404 -0.264 20 0 CBADLP CCC[NH+](C)CC(=O)N(CC)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001373714852 897105631 /nfs/dbraw/zinc/10/56/31/897105631.db2.gz HBYAIDIIFIOXOZ-LBPRGKRZSA-N 2 2 284.404 -0.264 20 0 CBADLP CCC[NH+](C)CC(=O)N(CC)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001373714852 897105633 /nfs/dbraw/zinc/10/56/33/897105633.db2.gz HBYAIDIIFIOXOZ-LBPRGKRZSA-N 2 2 284.404 -0.264 20 0 CBADLP CCCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001374302454 897206189 /nfs/dbraw/zinc/20/61/89/897206189.db2.gz LFPPEGLKYGNHBJ-LLVKDONJSA-N 2 2 295.387 -0.085 20 0 CBADLP COC[C@@H](O)C[NH2+]C[C@H](C)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001374306994 897214031 /nfs/dbraw/zinc/21/40/31/897214031.db2.gz YKFGAYVYZQWJQN-QWRGUYRKSA-N 2 2 284.360 -0.604 20 0 CBADLP CC[C@H](C(=O)N(C)CC[N@H+](C)CC(=O)N1CCC1)[NH+](C)C ZINC001374506411 897239426 /nfs/dbraw/zinc/23/94/26/897239426.db2.gz IVXWUTUCTVWFLS-CYBMUJFWSA-N 2 2 298.431 -0.051 20 0 CBADLP CC[C@H](C(=O)N(C)CC[N@@H+](C)CC(=O)N1CCC1)[NH+](C)C ZINC001374506411 897239440 /nfs/dbraw/zinc/23/94/40/897239440.db2.gz IVXWUTUCTVWFLS-CYBMUJFWSA-N 2 2 298.431 -0.051 20 0 CBADLP CNC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001374489059 897241553 /nfs/dbraw/zinc/24/15/53/897241553.db2.gz CMLKUOCHWUKWAB-VXGBXAGGSA-N 2 2 284.404 -0.537 20 0 CBADLP CNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001374489059 897241567 /nfs/dbraw/zinc/24/15/67/897241567.db2.gz CMLKUOCHWUKWAB-VXGBXAGGSA-N 2 2 284.404 -0.537 20 0 CBADLP CNC(=O)C[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001374489059 897241581 /nfs/dbraw/zinc/24/15/81/897241581.db2.gz CMLKUOCHWUKWAB-VXGBXAGGSA-N 2 2 284.404 -0.537 20 0 CBADLP CNC(=O)C[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001374489059 897241597 /nfs/dbraw/zinc/24/15/97/897241597.db2.gz CMLKUOCHWUKWAB-VXGBXAGGSA-N 2 2 284.404 -0.537 20 0 CBADLP CNC(=O)C[N@H+](C)CCN(C)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001374536219 897255970 /nfs/dbraw/zinc/25/59/70/897255970.db2.gz JYBOPPMYMVOOME-GFCCVEGCSA-N 2 2 284.404 -0.536 20 0 CBADLP CNC(=O)C[N@@H+](C)CCN(C)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001374536219 897255984 /nfs/dbraw/zinc/25/59/84/897255984.db2.gz JYBOPPMYMVOOME-GFCCVEGCSA-N 2 2 284.404 -0.536 20 0 CBADLP CNC(=O)C[NH+](C)CCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001374536219 897255998 /nfs/dbraw/zinc/25/59/98/897255998.db2.gz JYBOPPMYMVOOME-GFCCVEGCSA-N 2 2 284.404 -0.536 20 0 CBADLP CNC(=O)C[NH+](C)CCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001374536219 897256014 /nfs/dbraw/zinc/25/60/14/897256014.db2.gz JYBOPPMYMVOOME-GFCCVEGCSA-N 2 2 284.404 -0.536 20 0 CBADLP Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CCC[N@H+]2C)o1 ZINC001374631013 897318553 /nfs/dbraw/zinc/31/85/53/897318553.db2.gz AINKUDFKAVVQPC-GHMZBOCLSA-N 2 2 297.359 -0.961 20 0 CBADLP Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CCC[N@@H+]2C)o1 ZINC001374631013 897318564 /nfs/dbraw/zinc/31/85/64/897318564.db2.gz AINKUDFKAVVQPC-GHMZBOCLSA-N 2 2 297.359 -0.961 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@H](O)C[NH2+]Cc1cccnc1 ZINC001374649895 897330565 /nfs/dbraw/zinc/33/05/65/897330565.db2.gz JBNRFGWMGYTKCX-ZDUSSCGKSA-N 2 2 289.339 -0.386 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@@H](O)C[NH2+]C[C@H]1CCCOC1 ZINC001374676691 897339132 /nfs/dbraw/zinc/33/91/32/897339132.db2.gz MXVAJLGICMTHCU-OLZOCXBDSA-N 2 2 296.371 -0.624 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](O)C[NH2+]C[C@@H]1CCOC1 ZINC001374682641 897340525 /nfs/dbraw/zinc/34/05/25/897340525.db2.gz XVJQWPUWFPAOQQ-RYUDHWBXSA-N 2 2 296.371 -0.636 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@@H](O)C[NH2+]C[C@H]1CCCCO1 ZINC001374677359 897343693 /nfs/dbraw/zinc/34/36/93/897343693.db2.gz OXOJOOLPEKHOCL-QWHCGFSZSA-N 2 2 296.371 -0.481 20 0 CBADLP CCN(CC[NH2+][C@H]1CCNC1=O)C(=O)Cc1[nH]c[nH+]c1C ZINC001374726059 897357247 /nfs/dbraw/zinc/35/72/47/897357247.db2.gz SEPRQIGICNRMJN-NSHDSACASA-N 2 2 293.371 -0.413 20 0 CBADLP CCN(CC[NH2+][C@H](C)C(=O)NC)C(=O)Cc1c[nH+]c[nH]1 ZINC001374747402 897370108 /nfs/dbraw/zinc/37/01/08/897370108.db2.gz AIIGYOLCZIUVAD-SNVBAGLBSA-N 2 2 281.360 -0.475 20 0 CBADLP C[NH+](C)CCC(=O)N1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001454012467 914156556 /nfs/dbraw/zinc/15/65/56/914156556.db2.gz MZCHWQKMKVMIAH-GFCCVEGCSA-N 2 2 293.371 -0.448 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001374965326 897443892 /nfs/dbraw/zinc/44/38/92/897443892.db2.gz PGDGSGBSZQAWMR-WPRPVWTQSA-N 2 2 281.360 -0.511 20 0 CBADLP C[C@@H](C[N@H+](C)CCn1cncn1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001375110265 897476232 /nfs/dbraw/zinc/47/62/32/897476232.db2.gz KCOSIRPKQAQTCQ-NSHDSACASA-N 2 2 291.359 -0.320 20 0 CBADLP C[C@@H](C[N@@H+](C)CCn1cncn1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001375110265 897476243 /nfs/dbraw/zinc/47/62/43/897476243.db2.gz KCOSIRPKQAQTCQ-NSHDSACASA-N 2 2 291.359 -0.320 20 0 CBADLP CNC(=O)C[N@H+](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001375153913 897486111 /nfs/dbraw/zinc/48/61/11/897486111.db2.gz MGMDUAFZWSNPAF-JTQLQIEISA-N 2 2 281.360 -0.626 20 0 CBADLP CNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001375153913 897486125 /nfs/dbraw/zinc/48/61/25/897486125.db2.gz MGMDUAFZWSNPAF-JTQLQIEISA-N 2 2 281.360 -0.626 20 0 CBADLP C[C@@H](C[N@H+](C)Cc1cnnn1C)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001375153014 897488653 /nfs/dbraw/zinc/48/86/53/897488653.db2.gz BOBXIMJKLJOGRN-RYUDHWBXSA-N 2 2 294.403 -0.297 20 0 CBADLP C[C@@H](C[N@@H+](C)Cc1cnnn1C)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001375153014 897488661 /nfs/dbraw/zinc/48/86/61/897488661.db2.gz BOBXIMJKLJOGRN-RYUDHWBXSA-N 2 2 294.403 -0.297 20 0 CBADLP C[C@@H](C[NH+](C)Cc1cnnn1C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001375153014 897488670 /nfs/dbraw/zinc/48/86/70/897488670.db2.gz BOBXIMJKLJOGRN-RYUDHWBXSA-N 2 2 294.403 -0.297 20 0 CBADLP C[C@@H](C[NH+](C)Cc1cnnn1C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001375153014 897488676 /nfs/dbraw/zinc/48/86/76/897488676.db2.gz BOBXIMJKLJOGRN-RYUDHWBXSA-N 2 2 294.403 -0.297 20 0 CBADLP C[NH+](C)CCCC(=O)NC[C@H]1CC[N@@H+]1CC(=O)N1CCC1 ZINC001375334442 897519775 /nfs/dbraw/zinc/51/97/75/897519775.db2.gz OCIRNMTZLUPYNF-CYBMUJFWSA-N 2 2 296.415 -0.249 20 0 CBADLP C[NH+](C)CCCC(=O)NC[C@H]1CC[N@H+]1CC(=O)N1CCC1 ZINC001375334442 897519785 /nfs/dbraw/zinc/51/97/85/897519785.db2.gz OCIRNMTZLUPYNF-CYBMUJFWSA-N 2 2 296.415 -0.249 20 0 CBADLP CCN(C)C(=O)C[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001375374586 897531937 /nfs/dbraw/zinc/53/19/37/897531937.db2.gz SVRSPCHPQDWGFM-STQMWFEESA-N 2 2 296.415 -0.393 20 0 CBADLP CCN(C)C(=O)C[N@H+]1CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001375374586 897531943 /nfs/dbraw/zinc/53/19/43/897531943.db2.gz SVRSPCHPQDWGFM-STQMWFEESA-N 2 2 296.415 -0.393 20 0 CBADLP CCN(C)C(=O)C[NH+]1CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001375374586 897531952 /nfs/dbraw/zinc/53/19/52/897531952.db2.gz SVRSPCHPQDWGFM-STQMWFEESA-N 2 2 296.415 -0.393 20 0 CBADLP CCN(C)C(=O)C[NH+]1CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001375374586 897531962 /nfs/dbraw/zinc/53/19/62/897531962.db2.gz SVRSPCHPQDWGFM-STQMWFEESA-N 2 2 296.415 -0.393 20 0 CBADLP Cn1cnnc1C[NH2+]C1(CNC(=O)CCC[NH+](C)C)CC1 ZINC001375467613 897545896 /nfs/dbraw/zinc/54/58/96/897545896.db2.gz ARJOVVZQYBJSRP-UHFFFAOYSA-N 2 2 294.403 -0.105 20 0 CBADLP C[C@@H]([NH2+][C@@H]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)C1)C(N)=O ZINC001375589155 897569227 /nfs/dbraw/zinc/56/92/27/897569227.db2.gz HOVPOBWCILWQOW-GRYCIOLGSA-N 2 2 293.371 -0.369 20 0 CBADLP CN(C(=O)CC[NH+](C)C)C1C[NH+](CCn2cccn2)C1 ZINC001375700414 897595126 /nfs/dbraw/zinc/59/51/26/897595126.db2.gz DHBVCUQVIPERKU-UHFFFAOYSA-N 2 2 279.388 -0.023 20 0 CBADLP C[C@@]1(NC(=O)Cn2cc[nH+]c2)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001375856845 897617102 /nfs/dbraw/zinc/61/71/02/897617102.db2.gz OUYJTTZLQHYQLO-SMDDNHRTSA-N 2 2 291.355 -0.648 20 0 CBADLP C[C@@]1(NC(=O)Cn2cc[nH+]c2)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001375856845 897617111 /nfs/dbraw/zinc/61/71/11/897617111.db2.gz OUYJTTZLQHYQLO-SMDDNHRTSA-N 2 2 291.355 -0.648 20 0 CBADLP CC[C@@H](C(=O)N[C@H]1CCC[N@H+](CC(=O)N(C)C)C1)[NH+](C)C ZINC001376063128 897645016 /nfs/dbraw/zinc/64/50/16/897645016.db2.gz FGABBHLKLKEDJV-STQMWFEESA-N 2 2 298.431 -0.005 20 0 CBADLP CC[C@@H](C(=O)N[C@H]1CCC[N@@H+](CC(=O)N(C)C)C1)[NH+](C)C ZINC001376063128 897645024 /nfs/dbraw/zinc/64/50/24/897645024.db2.gz FGABBHLKLKEDJV-STQMWFEESA-N 2 2 298.431 -0.005 20 0 CBADLP CC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](CC(N)=O)C1 ZINC001376080768 897648238 /nfs/dbraw/zinc/64/82/38/897648238.db2.gz ZTENSASCDOXIDR-NSHDSACASA-N 2 2 270.377 -0.606 20 0 CBADLP CC[N@@H+](C)CCC(=O)N[C@H]1CCC[NH+](CC(N)=O)C1 ZINC001376080768 897648243 /nfs/dbraw/zinc/64/82/43/897648243.db2.gz ZTENSASCDOXIDR-NSHDSACASA-N 2 2 270.377 -0.606 20 0 CBADLP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001376080768 897648250 /nfs/dbraw/zinc/64/82/50/897648250.db2.gz ZTENSASCDOXIDR-NSHDSACASA-N 2 2 270.377 -0.606 20 0 CBADLP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001376080768 897648253 /nfs/dbraw/zinc/64/82/53/897648253.db2.gz ZTENSASCDOXIDR-NSHDSACASA-N 2 2 270.377 -0.606 20 0 CBADLP CO[C@@H](C)C[N@@H+]1CC[C@](O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001376081137 897649076 /nfs/dbraw/zinc/64/90/76/897649076.db2.gz KRSRCSJQKLECCQ-FZMZJTMJSA-N 2 2 296.371 -0.460 20 0 CBADLP CO[C@@H](C)C[N@H+]1CC[C@](O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001376081137 897649087 /nfs/dbraw/zinc/64/90/87/897649087.db2.gz KRSRCSJQKLECCQ-FZMZJTMJSA-N 2 2 296.371 -0.460 20 0 CBADLP CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001376157617 897675006 /nfs/dbraw/zinc/67/50/06/897675006.db2.gz WBXJYJYCNGPDJX-GFCCVEGCSA-N 2 2 293.371 -0.482 20 0 CBADLP CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001376157617 897675016 /nfs/dbraw/zinc/67/50/16/897675016.db2.gz WBXJYJYCNGPDJX-GFCCVEGCSA-N 2 2 293.371 -0.482 20 0 CBADLP CCCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001376155951 897675404 /nfs/dbraw/zinc/67/54/04/897675404.db2.gz QYJDJZDGGFNXLU-OLZOCXBDSA-N 2 2 296.415 -0.345 20 0 CBADLP CCCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001376155951 897675411 /nfs/dbraw/zinc/67/54/11/897675411.db2.gz QYJDJZDGGFNXLU-OLZOCXBDSA-N 2 2 296.415 -0.345 20 0 CBADLP CCCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001376155951 897675419 /nfs/dbraw/zinc/67/54/19/897675419.db2.gz QYJDJZDGGFNXLU-OLZOCXBDSA-N 2 2 296.415 -0.345 20 0 CBADLP CCCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001376155951 897675427 /nfs/dbraw/zinc/67/54/27/897675427.db2.gz QYJDJZDGGFNXLU-OLZOCXBDSA-N 2 2 296.415 -0.345 20 0 CBADLP COC[C@H](O)C[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001376167663 897680860 /nfs/dbraw/zinc/68/08/60/897680860.db2.gz CVGBIDUEDSAFNN-VXGBXAGGSA-N 2 2 282.344 -0.919 20 0 CBADLP COC[C@H](O)C[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001376167663 897680871 /nfs/dbraw/zinc/68/08/71/897680871.db2.gz CVGBIDUEDSAFNN-VXGBXAGGSA-N 2 2 282.344 -0.919 20 0 CBADLP C[C@@H](F)CC[NH+]1CC(O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001376225698 897690162 /nfs/dbraw/zinc/69/01/62/897690162.db2.gz MFIORZCRWZEWIA-VXGBXAGGSA-N 2 2 287.379 -0.008 20 0 CBADLP C[C@@H](F)CC[NH+]1CC(O)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001376225698 897690169 /nfs/dbraw/zinc/69/01/69/897690169.db2.gz MFIORZCRWZEWIA-VXGBXAGGSA-N 2 2 287.379 -0.008 20 0 CBADLP O=C(NC[C@@H]([NH2+]CCO)C1CC1)[C@H]1CCc2c[nH+]cn2C1 ZINC001376214824 897692170 /nfs/dbraw/zinc/69/21/70/897692170.db2.gz IQQZADTWWPCKHB-GXTWGEPZSA-N 2 2 292.383 -0.078 20 0 CBADLP C[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001376415560 897727928 /nfs/dbraw/zinc/72/79/28/897727928.db2.gz WUXMDLUBQMILRI-IJLUTSLNSA-N 2 2 280.372 -0.030 20 0 CBADLP CC[N@@H+]1CCC[C@](CO)(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001376458083 897742292 /nfs/dbraw/zinc/74/22/92/897742292.db2.gz UGRHCFMBVUXYJK-OCCSQVGLSA-N 2 2 285.388 -0.720 20 0 CBADLP CC[N@H+]1CCC[C@](CO)(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001376458083 897742297 /nfs/dbraw/zinc/74/22/97/897742297.db2.gz UGRHCFMBVUXYJK-OCCSQVGLSA-N 2 2 285.388 -0.720 20 0 CBADLP CC[NH+]1CCC[C@](CO)(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001376458083 897742301 /nfs/dbraw/zinc/74/23/01/897742301.db2.gz UGRHCFMBVUXYJK-OCCSQVGLSA-N 2 2 285.388 -0.720 20 0 CBADLP CC[NH+]1CCC[C@](CO)(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001376458083 897742304 /nfs/dbraw/zinc/74/23/04/897742304.db2.gz UGRHCFMBVUXYJK-OCCSQVGLSA-N 2 2 285.388 -0.720 20 0 CBADLP O=C(C[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1)NC1CC1 ZINC001376490887 897756700 /nfs/dbraw/zinc/75/67/00/897756700.db2.gz NGJBIQBXQSEZSZ-PHIMTYICSA-N 2 2 291.355 -0.532 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001376524891 897765963 /nfs/dbraw/zinc/76/59/63/897765963.db2.gz CVJWBMLDIHXJMW-GFCCVEGCSA-N 2 2 293.371 -0.495 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001376524891 897765973 /nfs/dbraw/zinc/76/59/73/897765973.db2.gz CVJWBMLDIHXJMW-GFCCVEGCSA-N 2 2 293.371 -0.495 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001376524899 897767644 /nfs/dbraw/zinc/76/76/44/897767644.db2.gz CVJWBMLDIHXJMW-LBPRGKRZSA-N 2 2 293.371 -0.495 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001376524899 897767655 /nfs/dbraw/zinc/76/76/55/897767655.db2.gz CVJWBMLDIHXJMW-LBPRGKRZSA-N 2 2 293.371 -0.495 20 0 CBADLP C[C@@H](CCNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@H]1CCNC1=O ZINC001377079023 897925306 /nfs/dbraw/zinc/92/53/06/897925306.db2.gz FFZUJPISUVNRAP-UWVGGRQHSA-N 2 2 279.344 -0.675 20 0 CBADLP C[C@@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1nncn1C ZINC001377100839 897929382 /nfs/dbraw/zinc/92/93/82/897929382.db2.gz DTLTUHBTLJLAHS-NSHDSACASA-N 2 2 291.359 -0.304 20 0 CBADLP CCNC(=O)C[N@H+](C)CCNC(=O)[C@H](CC)[NH+](C)C ZINC001377222392 897974283 /nfs/dbraw/zinc/97/42/83/897974283.db2.gz NNNWCKSVSUCEEA-NSHDSACASA-N 2 2 272.393 -0.489 20 0 CBADLP CCNC(=O)C[N@@H+](C)CCNC(=O)[C@H](CC)[NH+](C)C ZINC001377222392 897974293 /nfs/dbraw/zinc/97/42/93/897974293.db2.gz NNNWCKSVSUCEEA-NSHDSACASA-N 2 2 272.393 -0.489 20 0 CBADLP CCCNC(=O)C[N@H+](C)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001377253079 897985140 /nfs/dbraw/zinc/98/51/40/897985140.db2.gz UMLGOJWKASBNMH-ZDUSSCGKSA-N 2 2 298.431 -0.098 20 0 CBADLP CCCNC(=O)C[N@@H+](C)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001377253079 897985148 /nfs/dbraw/zinc/98/51/48/897985148.db2.gz UMLGOJWKASBNMH-ZDUSSCGKSA-N 2 2 298.431 -0.098 20 0 CBADLP CCCNC(=O)C[NH+](C)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001377253079 897985158 /nfs/dbraw/zinc/98/51/58/897985158.db2.gz UMLGOJWKASBNMH-ZDUSSCGKSA-N 2 2 298.431 -0.098 20 0 CBADLP CCCNC(=O)C[NH+](C)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001377253079 897985166 /nfs/dbraw/zinc/98/51/66/897985166.db2.gz UMLGOJWKASBNMH-ZDUSSCGKSA-N 2 2 298.431 -0.098 20 0 CBADLP CNC(=O)C[N@H+](C)CCNC(=O)CCC[NH+]1CCCC1 ZINC001377270207 897995585 /nfs/dbraw/zinc/99/55/85/897995585.db2.gz ASFJHTPVRIVCCB-UHFFFAOYSA-N 2 2 284.404 -0.344 20 0 CBADLP CNC(=O)C[N@@H+](C)CCNC(=O)CCC[NH+]1CCCC1 ZINC001377270207 897995596 /nfs/dbraw/zinc/99/55/96/897995596.db2.gz ASFJHTPVRIVCCB-UHFFFAOYSA-N 2 2 284.404 -0.344 20 0 CBADLP O=C(C[NH+]1CCCC1)NC[C@@H]1CCC[N@@H+]1[C@@H]1CCNC1=O ZINC001377429489 898044400 /nfs/dbraw/zinc/04/44/00/898044400.db2.gz UQWHGGMQYHFJAX-QWHCGFSZSA-N 2 2 294.399 -0.449 20 0 CBADLP O=C(C[NH+]1CCCC1)NC[C@@H]1CCC[N@H+]1[C@@H]1CCNC1=O ZINC001377429489 898044417 /nfs/dbraw/zinc/04/44/17/898044417.db2.gz UQWHGGMQYHFJAX-QWHCGFSZSA-N 2 2 294.399 -0.449 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CC[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001377449028 898055364 /nfs/dbraw/zinc/05/53/64/898055364.db2.gz UPEJANVGLIEWRA-VXGBXAGGSA-N 2 2 293.371 -0.415 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CC[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001377449028 898055378 /nfs/dbraw/zinc/05/53/78/898055378.db2.gz UPEJANVGLIEWRA-VXGBXAGGSA-N 2 2 293.371 -0.415 20 0 CBADLP CC[C@@H]([NH2+][C@@H](C)CCNC(=O)Cn1cc[nH+]c1)C(N)=O ZINC001377537055 898080236 /nfs/dbraw/zinc/08/02/36/898080236.db2.gz WLAZEHFTDZXNCO-WDEREUQCSA-N 2 2 281.360 -0.369 20 0 CBADLP CN(CC[NH2+][C@H]1CCCNC1=O)C(=O)Cc1c[nH+]c[nH]1 ZINC001377598446 898102772 /nfs/dbraw/zinc/10/27/72/898102772.db2.gz ZRBGWGORWLJLQU-NSHDSACASA-N 2 2 279.344 -0.721 20 0 CBADLP CCCN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001377650476 898110686 /nfs/dbraw/zinc/11/06/86/898110686.db2.gz CHNIZYAQVOEMDU-LBPRGKRZSA-N 2 2 284.404 -0.264 20 0 CBADLP CCCN(C(=O)CC[NH+](C)C)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001377650476 898110707 /nfs/dbraw/zinc/11/07/07/898110707.db2.gz CHNIZYAQVOEMDU-LBPRGKRZSA-N 2 2 284.404 -0.264 20 0 CBADLP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@@H](C)[NH2+]CC(=O)N1CCC1 ZINC001377901266 898165022 /nfs/dbraw/zinc/16/50/22/898165022.db2.gz IYKXNJHRXUNLAP-VXGBXAGGSA-N 2 2 293.371 -0.402 20 0 CBADLP CNC(=O)C[NH+]1CC(CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001378003101 898193627 /nfs/dbraw/zinc/19/36/27/898193627.db2.gz CGCIIRQQAICTNP-UHFFFAOYSA-N 2 2 296.415 -0.488 20 0 CBADLP CCC[N@H+](C)CCC(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001378007346 898198959 /nfs/dbraw/zinc/19/89/59/898198959.db2.gz BICPRVFNSHHBCJ-UHFFFAOYSA-N 2 2 270.377 -0.748 20 0 CBADLP CCC[N@@H+](C)CCC(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001378007346 898198965 /nfs/dbraw/zinc/19/89/65/898198965.db2.gz BICPRVFNSHHBCJ-UHFFFAOYSA-N 2 2 270.377 -0.748 20 0 CBADLP CCN(C(=O)Cn1cc[nH+]c1C)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001378193414 898270976 /nfs/dbraw/zinc/27/09/76/898270976.db2.gz KFJOVYOSXNMDPZ-LBPRGKRZSA-N 2 2 293.371 -0.400 20 0 CBADLP CCN(C(=O)Cn1cc[nH+]c1C)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001378193414 898270992 /nfs/dbraw/zinc/27/09/92/898270992.db2.gz KFJOVYOSXNMDPZ-LBPRGKRZSA-N 2 2 293.371 -0.400 20 0 CBADLP CC[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]Cc1cnnn1C ZINC001378282095 898302715 /nfs/dbraw/zinc/30/27/15/898302715.db2.gz AFZCTVSLKCTETG-SNVBAGLBSA-N 2 2 291.359 -0.235 20 0 CBADLP CC[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@@H](C)C(=O)NC ZINC001378310422 898312392 /nfs/dbraw/zinc/31/23/92/898312392.db2.gz KTOLZUSQIFJQIC-VHSXEESVSA-N 2 2 281.360 -0.429 20 0 CBADLP CC[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+][C@H](C)C(=O)NC ZINC001378342853 898322230 /nfs/dbraw/zinc/32/22/30/898322230.db2.gz MJTQZEBYAMLUSG-MNOVXSKESA-N 2 2 281.360 -0.498 20 0 CBADLP C[C@H](O)C[NH2+]C[C@H]1CCCN1C(=O)Cc1c[nH+]cn1C ZINC001378512401 898342297 /nfs/dbraw/zinc/34/22/97/898342297.db2.gz NGUPRJONGPOEEY-NWDGAFQWSA-N 2 2 280.372 -0.076 20 0 CBADLP CC[C@@H](C(=O)N[C@H](C)C1C[NH+](CC(=O)NC)C1)[NH+](C)C ZINC001378533882 898345168 /nfs/dbraw/zinc/34/51/68/898345168.db2.gz BBKVIGVWCONTEQ-PWSUYJOCSA-N 2 2 284.404 -0.491 20 0 CBADLP CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001378539145 898349021 /nfs/dbraw/zinc/34/90/21/898349021.db2.gz LUOWGPHRFNIRIY-AAEUAGOBSA-N 2 2 298.431 -0.101 20 0 CBADLP CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001378596383 898363644 /nfs/dbraw/zinc/36/36/44/898363644.db2.gz YVDYDHWRVVMQDZ-RYUDHWBXSA-N 2 2 296.415 -0.489 20 0 CBADLP CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001378596383 898363659 /nfs/dbraw/zinc/36/36/59/898363659.db2.gz YVDYDHWRVVMQDZ-RYUDHWBXSA-N 2 2 296.415 -0.489 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CCO[C@@H]([C@H](C)[NH2+]CCO)C1 ZINC001378772719 898409030 /nfs/dbraw/zinc/40/90/30/898409030.db2.gz ZCDZRVCUHJAKBE-WCQYABFASA-N 2 2 296.371 -0.542 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CCO[C@@H]([C@@H](C)[NH2+]CCO)C1 ZINC001378772710 898410140 /nfs/dbraw/zinc/41/01/40/898410140.db2.gz ZCDZRVCUHJAKBE-DGCLKSJQSA-N 2 2 296.371 -0.542 20 0 CBADLP CC(C)C[C@@H](C[NH2+][C@@H](C)C(N)=O)NC(=O)Cc1[nH]cc[nH+]1 ZINC001378877329 898426757 /nfs/dbraw/zinc/42/67/57/898426757.db2.gz HHSXXMRVSGMQHT-QWRGUYRKSA-N 2 2 295.387 -0.054 20 0 CBADLP CC(C)[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CC(=O)N(C)C ZINC001379012213 898443936 /nfs/dbraw/zinc/44/39/36/898443936.db2.gz UUEKJADLRMYHBV-LLVKDONJSA-N 2 2 295.387 -0.229 20 0 CBADLP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)CC(N)=O ZINC001379057150 898455302 /nfs/dbraw/zinc/45/53/02/898455302.db2.gz VRZJYIPQZRNERG-LBPRGKRZSA-N 2 2 284.404 -0.264 20 0 CBADLP CCC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)CC(N)=O ZINC001379057150 898455313 /nfs/dbraw/zinc/45/53/13/898455313.db2.gz VRZJYIPQZRNERG-LBPRGKRZSA-N 2 2 284.404 -0.264 20 0 CBADLP CCC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)CC(N)=O ZINC001379057150 898455317 /nfs/dbraw/zinc/45/53/17/898455317.db2.gz VRZJYIPQZRNERG-LBPRGKRZSA-N 2 2 284.404 -0.264 20 0 CBADLP CCC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)CC(N)=O ZINC001379057150 898455323 /nfs/dbraw/zinc/45/53/23/898455323.db2.gz VRZJYIPQZRNERG-LBPRGKRZSA-N 2 2 284.404 -0.264 20 0 CBADLP CC[C@H](C(=O)N(C)CC[N@H+](C)CC(=O)N(C)C)[NH+](C)C ZINC001379081519 898461850 /nfs/dbraw/zinc/46/18/50/898461850.db2.gz YYHCWNZDFIALDR-GFCCVEGCSA-N 2 2 286.420 -0.195 20 0 CBADLP CC[C@H](C(=O)N(C)CC[N@@H+](C)CC(=O)N(C)C)[NH+](C)C ZINC001379081519 898461855 /nfs/dbraw/zinc/46/18/55/898461855.db2.gz YYHCWNZDFIALDR-GFCCVEGCSA-N 2 2 286.420 -0.195 20 0 CBADLP C[C@H](CN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1)[NH2+]CCO ZINC001379158495 898480676 /nfs/dbraw/zinc/48/06/76/898480676.db2.gz ZWKOPQYOYQPEFV-NEPJUHHUSA-N 2 2 280.372 -0.126 20 0 CBADLP C[C@@H](CN(C)C(=O)c1cc(C[NH+](C)C)on1)[NH2+]CC(N)=O ZINC001379173502 898491439 /nfs/dbraw/zinc/49/14/39/898491439.db2.gz SDRIIFUUUMCLCO-VIFPVBQESA-N 2 2 297.359 -0.728 20 0 CBADLP C[C@@H](CN(C)C(=O)Cc1c[nH+]cn1C)[NH2+]CC(=O)N(C)C ZINC001379270665 898533153 /nfs/dbraw/zinc/53/31/53/898533153.db2.gz BTWPJLLNIQLPIU-NSHDSACASA-N 2 2 295.387 -0.513 20 0 CBADLP Cc1cc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CCC[N@H+]2C)no1 ZINC001379376283 898589118 /nfs/dbraw/zinc/58/91/18/898589118.db2.gz XHLRVPHNBQKNJF-OLZOCXBDSA-N 2 2 296.371 -0.356 20 0 CBADLP Cc1cc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CCC[N@@H+]2C)no1 ZINC001379376283 898589124 /nfs/dbraw/zinc/58/91/24/898589124.db2.gz XHLRVPHNBQKNJF-OLZOCXBDSA-N 2 2 296.371 -0.356 20 0 CBADLP C[C@H](C[NH2+]CC(=O)N1CCC1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001379375302 898589518 /nfs/dbraw/zinc/58/95/18/898589518.db2.gz KGWXSVNOZNRJAI-LLVKDONJSA-N 2 2 293.371 -0.331 20 0 CBADLP C[C@H](C[NH2+]CC(=O)N1CCC1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001379375302 898589524 /nfs/dbraw/zinc/58/95/24/898589524.db2.gz KGWXSVNOZNRJAI-LLVKDONJSA-N 2 2 293.371 -0.331 20 0 CBADLP CC(C)CNC(=O)C[NH2+]C[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001379453469 898621583 /nfs/dbraw/zinc/62/15/83/898621583.db2.gz NRJLHRQTFGJMKE-LLVKDONJSA-N 2 2 295.387 -0.181 20 0 CBADLP C[C@@H](F)CC[NH2+][C@H](CO)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001379486732 898634860 /nfs/dbraw/zinc/63/48/60/898634860.db2.gz YRCACWGMQOPPLW-KOLCDFICSA-N 2 2 272.324 -0.233 20 0 CBADLP C[C@H](F)CC[NH2+][C@@H](CO)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001379486731 898635583 /nfs/dbraw/zinc/63/55/83/898635583.db2.gz YRCACWGMQOPPLW-GXSJLCMTSA-N 2 2 272.324 -0.233 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H](CO)[NH2+]CC[C@H]1CCOC1 ZINC001379485541 898636885 /nfs/dbraw/zinc/63/68/85/898636885.db2.gz UWWJDXYUTBQNNQ-WCQYABFASA-N 2 2 296.371 -0.555 20 0 CBADLP COC[C@H](C)[NH2+][C@@H](CO)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001379510472 898649753 /nfs/dbraw/zinc/64/97/53/898649753.db2.gz YMZFSEWFIJEGFY-VHSXEESVSA-N 2 2 270.333 -0.946 20 0 CBADLP C[C@@H](C[NH2+]CC(=O)N1CCC1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001379562590 898670571 /nfs/dbraw/zinc/67/05/71/898670571.db2.gz QTXHUSUBIUDLBQ-JTQLQIEISA-N 2 2 279.344 -0.721 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+](C)C[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001379697488 898704864 /nfs/dbraw/zinc/70/48/64/898704864.db2.gz ASWMRPDKDSVHBS-JQWIXIFHSA-N 2 2 295.387 -0.108 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+](C)C[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001379697488 898704871 /nfs/dbraw/zinc/70/48/71/898704871.db2.gz ASWMRPDKDSVHBS-JQWIXIFHSA-N 2 2 295.387 -0.108 20 0 CBADLP CC[C@H](C(N)=O)[N@H+](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001379811109 898736687 /nfs/dbraw/zinc/73/66/87/898736687.db2.gz VLUIRBOPTAVBDY-GHMZBOCLSA-N 2 2 281.360 -0.417 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001379811109 898736691 /nfs/dbraw/zinc/73/66/91/898736691.db2.gz VLUIRBOPTAVBDY-GHMZBOCLSA-N 2 2 281.360 -0.417 20 0 CBADLP CN(C[C@@H](O)C[NH2+]Cc1cnon1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001379829850 898738656 /nfs/dbraw/zinc/73/86/56/898738656.db2.gz XGMPZUFTHJEGEF-NWDGAFQWSA-N 2 2 297.359 -0.927 20 0 CBADLP CN(C[C@@H](O)C[NH2+]Cc1cnon1)C(=O)[C@H]1CCC[N@H+]1C ZINC001379829850 898738673 /nfs/dbraw/zinc/73/86/73/898738673.db2.gz XGMPZUFTHJEGEF-NWDGAFQWSA-N 2 2 297.359 -0.927 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)N[C@H](C[NH2+][C@@H]1CCNC1=O)C1CC1 ZINC001379904405 898753402 /nfs/dbraw/zinc/75/34/02/898753402.db2.gz MSNQSHROUUEGGB-VXGBXAGGSA-N 2 2 291.355 -0.675 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H](NC(=O)CCn1cc[nH+]c1)C1CC1 ZINC001379893783 898754162 /nfs/dbraw/zinc/75/41/62/898754162.db2.gz GOQDRNKQFVSSPB-GFCCVEGCSA-N 2 2 293.371 -0.496 20 0 CBADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)C1CC([NH2+]CC(N)=O)C1 ZINC001380174185 898824489 /nfs/dbraw/zinc/82/44/89/898824489.db2.gz JYFRMWPEIJYEOP-BMQDGWLCSA-N 2 2 293.371 -0.347 20 0 CBADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)C1CC([NH2+]CC(N)=O)C1 ZINC001380174185 898824501 /nfs/dbraw/zinc/82/45/01/898824501.db2.gz JYFRMWPEIJYEOP-BMQDGWLCSA-N 2 2 293.371 -0.347 20 0 CBADLP COC[C@@H](O)C[NH2+]C1(CNC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001380165666 898824550 /nfs/dbraw/zinc/82/45/50/898824550.db2.gz YOLMVWQAWOKUAB-NSHDSACASA-N 2 2 296.371 -0.494 20 0 CBADLP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@@H](C)C1 ZINC001380267159 898848778 /nfs/dbraw/zinc/84/87/78/898848778.db2.gz LAEAGVNWJQBEJA-WDEREUQCSA-N 2 2 293.371 -0.333 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001380375842 898868829 /nfs/dbraw/zinc/86/88/29/898868829.db2.gz KUMORNIXKGKQEC-SMDDNHRTSA-N 2 2 282.388 -0.463 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CC[C@@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001380375842 898868846 /nfs/dbraw/zinc/86/88/46/898868846.db2.gz KUMORNIXKGKQEC-SMDDNHRTSA-N 2 2 282.388 -0.463 20 0 CBADLP CC[N@H+](C)CCC(=O)NCC1(O)C[NH+](C[C@H](C)OC)C1 ZINC001380637564 898929690 /nfs/dbraw/zinc/92/96/90/898929690.db2.gz LBRWWUAYOQHSRQ-LBPRGKRZSA-N 2 2 287.404 -0.474 20 0 CBADLP CC[N@@H+](C)CCC(=O)NCC1(O)C[NH+](C[C@H](C)OC)C1 ZINC001380637564 898929699 /nfs/dbraw/zinc/92/96/99/898929699.db2.gz LBRWWUAYOQHSRQ-LBPRGKRZSA-N 2 2 287.404 -0.474 20 0 CBADLP CC[N@H+](C)CCC(=O)NC[C@H]1COCC[NH+]1CCCO ZINC001380823383 898955420 /nfs/dbraw/zinc/95/54/20/898955420.db2.gz OGIPJCINLLIXSU-ZDUSSCGKSA-N 2 2 287.404 -0.472 20 0 CBADLP CC[N@@H+](C)CCC(=O)NC[C@H]1COCC[NH+]1CCCO ZINC001380823383 898955426 /nfs/dbraw/zinc/95/54/26/898955426.db2.gz OGIPJCINLLIXSU-ZDUSSCGKSA-N 2 2 287.404 -0.472 20 0 CBADLP CC[NH+](C)CCC(=O)NC[C@H]1COCC[N@@H+]1CCCO ZINC001380823383 898955432 /nfs/dbraw/zinc/95/54/32/898955432.db2.gz OGIPJCINLLIXSU-ZDUSSCGKSA-N 2 2 287.404 -0.472 20 0 CBADLP CC[NH+](C)CCC(=O)NC[C@H]1COCC[N@H+]1CCCO ZINC001380823383 898955437 /nfs/dbraw/zinc/95/54/37/898955437.db2.gz OGIPJCINLLIXSU-ZDUSSCGKSA-N 2 2 287.404 -0.472 20 0 CBADLP CO[C@H](C)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001380919231 898970740 /nfs/dbraw/zinc/97/07/40/898970740.db2.gz SOFQNZHOWOPXGP-DGCLKSJQSA-N 2 2 296.371 -0.196 20 0 CBADLP CCNC(=O)C[N@H+](C)CCCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001380972451 898982326 /nfs/dbraw/zinc/98/23/26/898982326.db2.gz PJBZGCYGQYVGET-UHFFFAOYSA-N 2 2 295.387 -0.131 20 0 CBADLP CCNC(=O)C[N@@H+](C)CCCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001380972451 898982332 /nfs/dbraw/zinc/98/23/32/898982332.db2.gz PJBZGCYGQYVGET-UHFFFAOYSA-N 2 2 295.387 -0.131 20 0 CBADLP CC[C@@H](C(=O)NC[C@H]1CCC2(C[NH+](CCO)C2)O1)[NH+](C)C ZINC001380998815 898986536 /nfs/dbraw/zinc/98/65/36/898986536.db2.gz LPKHIKJCPQODIP-OLZOCXBDSA-N 2 2 299.415 -0.332 20 0 CBADLP C[C@@H](CCNC(=O)CCc1c[nH]c[nH+]1)[NH2+][C@@H](C)C(N)=O ZINC001381199122 899010506 /nfs/dbraw/zinc/01/05/06/899010506.db2.gz ZUGDOCWMBSXANZ-UWVGGRQHSA-N 2 2 281.360 -0.300 20 0 CBADLP C[C@@H](CCNC(=O)CCc1c[nH+]c[nH]1)[NH2+][C@@H](C)C(N)=O ZINC001381199122 899010524 /nfs/dbraw/zinc/01/05/24/899010524.db2.gz ZUGDOCWMBSXANZ-UWVGGRQHSA-N 2 2 281.360 -0.300 20 0 CBADLP C[C@@H]([NH2+]CC1CC(NC(=O)Cc2c[nH]c[nH+]2)C1)C(N)=O ZINC001381340217 899032569 /nfs/dbraw/zinc/03/25/69/899032569.db2.gz WXSMSEOYOJKVEK-XNWIYYODSA-N 2 2 279.344 -0.690 20 0 CBADLP CCNC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001381442829 899049425 /nfs/dbraw/zinc/04/94/25/899049425.db2.gz BQVODJRHHOCUQT-NXEZZACHSA-N 2 2 295.387 -0.120 20 0 CBADLP COC[C@H](O)C[N@H+](C)[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001381607487 899088518 /nfs/dbraw/zinc/08/85/18/899088518.db2.gz XISQZRTZTBDRJE-GHMZBOCLSA-N 2 2 284.360 -0.604 20 0 CBADLP COC[C@H](O)C[N@@H+](C)[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001381607487 899088530 /nfs/dbraw/zinc/08/85/30/899088530.db2.gz XISQZRTZTBDRJE-GHMZBOCLSA-N 2 2 284.360 -0.604 20 0 CBADLP C[NH+]1CCC(C(=O)NC2(CCO)C[NH+](CCCO)C2)CC1 ZINC001381688854 899105617 /nfs/dbraw/zinc/10/56/17/899105617.db2.gz TXCRYEDTULZZOS-UHFFFAOYSA-N 2 2 299.415 -0.736 20 0 CBADLP C[C@H](CN(C)C(=O)Cn1cc[nH+]c1)NC(=O)CC[NH+](C)C ZINC001382053195 899146284 /nfs/dbraw/zinc/14/62/84/899146284.db2.gz BVKDVAAVWAXZHH-GFCCVEGCSA-N 2 2 295.387 -0.202 20 0 CBADLP CNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)CCn1cc[nH+]c1 ZINC001382125568 899159330 /nfs/dbraw/zinc/15/93/30/899159330.db2.gz OHICFHIDCFTWQY-NSHDSACASA-N 2 2 281.360 -0.544 20 0 CBADLP C[C@@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)[NH2+][C@@H](C)C(=O)N(C)C ZINC001382126587 899160614 /nfs/dbraw/zinc/16/06/14/899160614.db2.gz XSYJKXSGKVNKPT-QWRGUYRKSA-N 2 2 295.387 -0.135 20 0 CBADLP Cn1ccnc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001382183793 899179639 /nfs/dbraw/zinc/17/96/39/899179639.db2.gz MQDJALBFPOJQHO-NEPJUHHUSA-N 2 2 295.387 -0.919 20 0 CBADLP Cn1ccnc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001382183793 899179650 /nfs/dbraw/zinc/17/96/50/899179650.db2.gz MQDJALBFPOJQHO-NEPJUHHUSA-N 2 2 295.387 -0.919 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]Cc1cnns1 ZINC001382185619 899180477 /nfs/dbraw/zinc/18/04/77/899180477.db2.gz QGEDBHPHUZJCSV-ONGXEEELSA-N 2 2 299.400 -0.801 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]Cc1cnns1 ZINC001382185619 899180482 /nfs/dbraw/zinc/18/04/82/899180482.db2.gz QGEDBHPHUZJCSV-ONGXEEELSA-N 2 2 299.400 -0.801 20 0 CBADLP CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc1coc(C)n1)[NH+](C)C ZINC001382239431 899207521 /nfs/dbraw/zinc/20/75/21/899207521.db2.gz IELAWKXQMMSXSV-AAEUAGOBSA-N 2 2 298.387 -0.110 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H](CO)[NH2+]C[C@H]1CCCCO1 ZINC001382252785 899214571 /nfs/dbraw/zinc/21/45/71/899214571.db2.gz JNKAPUZCWZRDRC-NWDGAFQWSA-N 2 2 296.371 -0.412 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC[C@@H](CO)[NH2+]C/C=C/Cl ZINC001382264344 899220022 /nfs/dbraw/zinc/22/00/22/899220022.db2.gz GTZMPRPFLCNOBJ-PBKGFPTLSA-N 2 2 286.763 -0.218 20 0 CBADLP CO[C@@H](C)C[NH2+][C@H](CO)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001382280520 899232477 /nfs/dbraw/zinc/23/24/77/899232477.db2.gz VYFCNMWYZMUIDW-ONGXEEELSA-N 2 2 284.360 -0.638 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](CC(N)=O)[C@H]1C ZINC001382342234 899254175 /nfs/dbraw/zinc/25/41/75/899254175.db2.gz FALOKNGTIPXNLO-NWDGAFQWSA-N 2 2 284.404 -0.219 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCC[NH+](CC(N)=O)[C@H]1C ZINC001382342234 899254187 /nfs/dbraw/zinc/25/41/87/899254187.db2.gz FALOKNGTIPXNLO-NWDGAFQWSA-N 2 2 284.404 -0.219 20 0 CBADLP CC(C)[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](CC(N)=O)[C@H]1C ZINC001382342234 899254204 /nfs/dbraw/zinc/25/42/04/899254204.db2.gz FALOKNGTIPXNLO-NWDGAFQWSA-N 2 2 284.404 -0.219 20 0 CBADLP CC(C)[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)[C@H]1C ZINC001382342234 899254218 /nfs/dbraw/zinc/25/42/18/899254218.db2.gz FALOKNGTIPXNLO-NWDGAFQWSA-N 2 2 284.404 -0.219 20 0 CBADLP C[C@H](O)C[N@H+](C)C[C@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001382476186 899313661 /nfs/dbraw/zinc/31/36/61/899313661.db2.gz VLGBDYRKTHJDTI-QWRGUYRKSA-N 2 2 284.360 -0.916 20 0 CBADLP C[C@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001382476186 899313671 /nfs/dbraw/zinc/31/36/71/899313671.db2.gz VLGBDYRKTHJDTI-QWRGUYRKSA-N 2 2 284.360 -0.916 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@@H](O)C[N@H+](C)CCF ZINC001382485258 899316187 /nfs/dbraw/zinc/31/61/87/899316187.db2.gz VLLIFNIBXHYAME-NSHDSACASA-N 2 2 286.351 -0.019 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@@H](O)C[N@@H+](C)CCF ZINC001382485258 899316199 /nfs/dbraw/zinc/31/61/99/899316199.db2.gz VLLIFNIBXHYAME-NSHDSACASA-N 2 2 286.351 -0.019 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@@H](O)C[N@@H+](C)C[C@H](C)O ZINC001382485292 899317285 /nfs/dbraw/zinc/31/72/85/899317285.db2.gz VWTGSPQJGDUYAS-JQWIXIFHSA-N 2 2 298.387 -0.607 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@@H](O)C[N@H+](C)C[C@H](C)O ZINC001382485292 899317296 /nfs/dbraw/zinc/31/72/96/899317296.db2.gz VWTGSPQJGDUYAS-JQWIXIFHSA-N 2 2 298.387 -0.607 20 0 CBADLP CC[C@H](C(=O)N[C@@H](C)CNC(=O)Cn1cc[nH+]c1)[NH+](C)C ZINC001386335205 899650915 /nfs/dbraw/zinc/65/09/15/899650915.db2.gz HCIZRCCFUUWEDX-NWDGAFQWSA-N 2 2 295.387 -0.156 20 0 CBADLP CC[N@H+](C)CCC(=O)N[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001386437840 899664900 /nfs/dbraw/zinc/66/49/00/899664900.db2.gz CDRFPYDNQIUQBY-LLVKDONJSA-N 2 2 295.387 -0.085 20 0 CBADLP CC[N@@H+](C)CCC(=O)N[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001386437840 899664903 /nfs/dbraw/zinc/66/49/03/899664903.db2.gz CDRFPYDNQIUQBY-LLVKDONJSA-N 2 2 295.387 -0.085 20 0 CBADLP CC[C@H](C(=O)NC[C@H](C)NC(=O)Cc1c[nH]c[nH+]1)[NH+](C)C ZINC001386973052 899737269 /nfs/dbraw/zinc/73/72/69/899737269.db2.gz BFRPZXYSSARQKC-CMPLNLGQSA-N 2 2 295.387 -0.087 20 0 CBADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001387182550 899769828 /nfs/dbraw/zinc/76/98/28/899769828.db2.gz FUWVXUHMVHTQMY-ZYHUDNBSSA-N 2 2 293.371 -0.333 20 0 CBADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001387182550 899769840 /nfs/dbraw/zinc/76/98/40/899769840.db2.gz FUWVXUHMVHTQMY-ZYHUDNBSSA-N 2 2 293.371 -0.333 20 0 CBADLP CCN(CCNC(=O)Cc1[nH]cc[nH+]1)C(=O)CC[NH+](C)C ZINC001387290793 899778809 /nfs/dbraw/zinc/77/88/09/899778809.db2.gz JHDRUFJYQIPVPL-UHFFFAOYSA-N 2 2 295.387 -0.131 20 0 CBADLP CC[C@@H](C(=O)N(C)CCNC(=O)Cn1cc[nH+]c1)[NH+](C)C ZINC001387862171 899841650 /nfs/dbraw/zinc/84/16/50/899841650.db2.gz MJHPRLDWFKYQTK-LBPRGKRZSA-N 2 2 295.387 -0.202 20 0 CBADLP CC[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1)C(N)=O ZINC001388689183 899900905 /nfs/dbraw/zinc/90/09/05/899900905.db2.gz BAPMVIZMRYLYSM-JFGNBEQYSA-N 2 2 293.371 -0.300 20 0 CBADLP NC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001388720970 899904125 /nfs/dbraw/zinc/90/41/25/899904125.db2.gz UWVBOGBIAQXNRH-HOMQSWHASA-N 2 2 279.344 -0.688 20 0 CBADLP NC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001388720970 899904142 /nfs/dbraw/zinc/90/41/42/899904142.db2.gz UWVBOGBIAQXNRH-HOMQSWHASA-N 2 2 279.344 -0.688 20 0 CBADLP CC[N@H+](C)CCC(=O)N(C)CC[NH+]1CCN(C(C)=O)CC1 ZINC001388800015 899912988 /nfs/dbraw/zinc/91/29/88/899912988.db2.gz IEIXNHZTMBUCLP-UHFFFAOYSA-N 2 2 298.431 -0.049 20 0 CBADLP CC[N@@H+](C)CCC(=O)N(C)CC[NH+]1CCN(C(C)=O)CC1 ZINC001388800015 899913005 /nfs/dbraw/zinc/91/30/05/899913005.db2.gz IEIXNHZTMBUCLP-UHFFFAOYSA-N 2 2 298.431 -0.049 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001389215277 899970774 /nfs/dbraw/zinc/97/07/74/899970774.db2.gz UKHRHLKBPMQWQM-GFCCVEGCSA-N 2 2 295.387 -0.156 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001389215277 899970788 /nfs/dbraw/zinc/97/07/88/899970788.db2.gz UKHRHLKBPMQWQM-GFCCVEGCSA-N 2 2 295.387 -0.156 20 0 CBADLP CCC[N@@H+](C)CC(=O)NC[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001389416135 900008162 /nfs/dbraw/zinc/00/81/62/900008162.db2.gz FJOXXFGBRYIZRP-LBPRGKRZSA-N 2 2 295.387 -0.154 20 0 CBADLP C[C@@H](CNC(=O)CCC[NH+](C)C)NC(=O)Cn1cc[nH+]c1 ZINC001389417655 900009956 /nfs/dbraw/zinc/00/99/56/900009956.db2.gz ONOQBLCIBTUHBD-LBPRGKRZSA-N 2 2 295.387 -0.154 20 0 CBADLP COC[C@H](O)C[N@@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001389490874 900027463 /nfs/dbraw/zinc/02/74/63/900027463.db2.gz VSXQJNSUNYFCPV-QWHCGFSZSA-N 2 2 296.371 -0.529 20 0 CBADLP COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001389490874 900027480 /nfs/dbraw/zinc/02/74/80/900027480.db2.gz VSXQJNSUNYFCPV-QWHCGFSZSA-N 2 2 296.371 -0.529 20 0 CBADLP CNC(=O)[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001389757507 900064078 /nfs/dbraw/zinc/06/40/78/900064078.db2.gz IPVNTQFBRLDQJF-RWMBFGLXSA-N 2 2 296.415 -0.252 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001389757507 900064090 /nfs/dbraw/zinc/06/40/90/900064090.db2.gz IPVNTQFBRLDQJF-RWMBFGLXSA-N 2 2 296.415 -0.252 20 0 CBADLP CNC(=O)C[NH2+][C@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001389804585 900074614 /nfs/dbraw/zinc/07/46/14/900074614.db2.gz UYQJDRWIJBWROK-NEPJUHHUSA-N 2 2 293.371 -0.229 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001389820523 900077584 /nfs/dbraw/zinc/07/75/84/900077584.db2.gz QEGZZTQEJMIFLJ-MNOVXSKESA-N 2 2 293.371 -0.414 20 0 CBADLP CNC(=O)C[NH2+][C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001389809661 900078659 /nfs/dbraw/zinc/07/86/59/900078659.db2.gz XCLYZYGGFGRNMF-JTQLQIEISA-N 2 2 293.371 -0.376 20 0 CBADLP O=C(C[NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1)NC1CC1 ZINC001389884461 900088324 /nfs/dbraw/zinc/08/83/24/900088324.db2.gz NGJBIQBXQSEZSZ-XYPYZODXSA-N 2 2 291.355 -0.532 20 0 CBADLP CN(C(=O)CC[NH+](C)C)C1CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001390129139 900118990 /nfs/dbraw/zinc/11/89/90/900118990.db2.gz VPJQZYBESAEVFO-UHFFFAOYSA-N 2 2 293.371 -0.427 20 0 CBADLP CNC(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001390424891 900155542 /nfs/dbraw/zinc/15/55/42/900155542.db2.gz VLMQQSKCMIMBJO-MNOVXSKESA-N 2 2 293.371 -0.714 20 0 CBADLP CC(C)CNC(=O)C[NH2+][C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001390496942 900177213 /nfs/dbraw/zinc/17/72/13/900177213.db2.gz VJYBQORCYRVBLJ-NSHDSACASA-N 2 2 295.387 -0.181 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)[NH2+][C@@H]1CCCNC1=O ZINC001390520551 900180503 /nfs/dbraw/zinc/18/05/03/900180503.db2.gz HMZBHMGODZAKRT-GXSJLCMTSA-N 2 2 293.371 -0.366 20 0 CBADLP COC[C@@H](O)C[NH2+][C@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001390520695 900181797 /nfs/dbraw/zinc/18/17/97/900181797.db2.gz IDTYBFCYDKCUET-KOLCDFICSA-N 2 2 284.360 -0.638 20 0 CBADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+][C@@H]1CCCN(C)C1=O ZINC001390542328 900185913 /nfs/dbraw/zinc/18/59/13/900185913.db2.gz KCONJDQPZGBCMM-NWDGAFQWSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+][C@H]1CCCN(C)C1=O ZINC001390542331 900186064 /nfs/dbraw/zinc/18/60/64/900186064.db2.gz KCONJDQPZGBCMM-RYUDHWBXSA-N 2 2 293.371 -0.402 20 0 CBADLP COC[C@H](O)C[NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001390593793 900193575 /nfs/dbraw/zinc/19/35/75/900193575.db2.gz HEDSAYQPDXFSMT-CHWSQXEVSA-N 2 2 296.371 -0.672 20 0 CBADLP CC(C)[C@H](C(=O)NCC[N@H+](C)CC(=O)NC1CC1)[NH+](C)C ZINC001390811862 900249510 /nfs/dbraw/zinc/24/95/10/900249510.db2.gz MZIUJRKPTPMTBG-CQSZACIVSA-N 2 2 298.431 -0.101 20 0 CBADLP CC(C)[C@H](C(=O)NCC[N@@H+](C)CC(=O)NC1CC1)[NH+](C)C ZINC001390811862 900249519 /nfs/dbraw/zinc/24/95/19/900249519.db2.gz MZIUJRKPTPMTBG-CQSZACIVSA-N 2 2 298.431 -0.101 20 0 CBADLP CC(C)N(C)C(=O)C[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001390857712 900267570 /nfs/dbraw/zinc/26/75/70/900267570.db2.gz COCNFNDOQMMOEW-CYBMUJFWSA-N 2 2 298.431 -0.147 20 0 CBADLP CC(C)N(C)C(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001390857712 900267587 /nfs/dbraw/zinc/26/75/87/900267587.db2.gz COCNFNDOQMMOEW-CYBMUJFWSA-N 2 2 298.431 -0.147 20 0 CBADLP CC(C)N(C)C(=O)C[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001390857712 900267596 /nfs/dbraw/zinc/26/75/96/900267596.db2.gz COCNFNDOQMMOEW-CYBMUJFWSA-N 2 2 298.431 -0.147 20 0 CBADLP CC(C)N(C)C(=O)C[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001390857712 900267606 /nfs/dbraw/zinc/26/76/06/900267606.db2.gz COCNFNDOQMMOEW-CYBMUJFWSA-N 2 2 298.431 -0.147 20 0 CBADLP COC[C@@H](O)C[N@H+](C)CCNC(=O)Cc1c[nH+]cn1C ZINC001390844688 900268317 /nfs/dbraw/zinc/26/83/17/900268317.db2.gz MDIMTMDJLRLZPJ-LBPRGKRZSA-N 2 2 284.360 -0.982 20 0 CBADLP COC[C@@H](O)C[N@@H+](C)CCNC(=O)Cc1c[nH+]cn1C ZINC001390844688 900268332 /nfs/dbraw/zinc/26/83/32/900268332.db2.gz MDIMTMDJLRLZPJ-LBPRGKRZSA-N 2 2 284.360 -0.982 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NCC[N@@H+](C)[C@@H](C)C(=O)N(C)C ZINC001390856366 900269109 /nfs/dbraw/zinc/26/91/09/900269109.db2.gz AOHFTJZROOHSKY-NSHDSACASA-N 2 2 295.387 -0.284 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NCC[N@H+](C)[C@@H](C)C(=O)N(C)C ZINC001390856366 900269123 /nfs/dbraw/zinc/26/91/23/900269123.db2.gz AOHFTJZROOHSKY-NSHDSACASA-N 2 2 295.387 -0.284 20 0 CBADLP Cn1nccc1C[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001390858671 900269284 /nfs/dbraw/zinc/26/92/84/900269284.db2.gz FWJZCJBCXZTFLO-GFCCVEGCSA-N 2 2 279.388 -0.080 20 0 CBADLP Cn1nccc1C[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001390858671 900269295 /nfs/dbraw/zinc/26/92/95/900269295.db2.gz FWJZCJBCXZTFLO-GFCCVEGCSA-N 2 2 279.388 -0.080 20 0 CBADLP Cn1nccc1C[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001390858671 900269309 /nfs/dbraw/zinc/26/93/09/900269309.db2.gz FWJZCJBCXZTFLO-GFCCVEGCSA-N 2 2 279.388 -0.080 20 0 CBADLP Cn1nccc1C[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001390858671 900269323 /nfs/dbraw/zinc/26/93/23/900269323.db2.gz FWJZCJBCXZTFLO-GFCCVEGCSA-N 2 2 279.388 -0.080 20 0 CBADLP Cn1nnnc1C[N@@H+]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001391090728 900308741 /nfs/dbraw/zinc/30/87/41/900308741.db2.gz AJIVOFPQUPMINI-LLVKDONJSA-N 2 2 295.391 -0.900 20 0 CBADLP Cn1nnnc1C[N@H+]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001391090728 900308749 /nfs/dbraw/zinc/30/87/49/900308749.db2.gz AJIVOFPQUPMINI-LLVKDONJSA-N 2 2 295.391 -0.900 20 0 CBADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](CC(N)=O)C1CC1 ZINC001391158004 900326532 /nfs/dbraw/zinc/32/65/32/900326532.db2.gz BNVALXCQPGESCX-CYBMUJFWSA-N 2 2 296.415 -0.075 20 0 CBADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[NH+](CC(N)=O)C1CC1 ZINC001391158004 900326542 /nfs/dbraw/zinc/32/65/42/900326542.db2.gz BNVALXCQPGESCX-CYBMUJFWSA-N 2 2 296.415 -0.075 20 0 CBADLP CC(C)[NH+]1CCC[C@@H]1C(=O)NCC[N@H+](CC(N)=O)C1CC1 ZINC001391158004 900326546 /nfs/dbraw/zinc/32/65/46/900326546.db2.gz BNVALXCQPGESCX-CYBMUJFWSA-N 2 2 296.415 -0.075 20 0 CBADLP CC(C)[NH+]1CCC[C@@H]1C(=O)NCC[N@@H+](CC(N)=O)C1CC1 ZINC001391158004 900326555 /nfs/dbraw/zinc/32/65/55/900326555.db2.gz BNVALXCQPGESCX-CYBMUJFWSA-N 2 2 296.415 -0.075 20 0 CBADLP C[C@@H]1CC[N@H+](CC(=O)NCC[NH+](CC(N)=O)C2CC2)C1 ZINC001391180954 900332267 /nfs/dbraw/zinc/33/22/67/900332267.db2.gz BGOVSWOGCDBWCK-LLVKDONJSA-N 2 2 282.388 -0.606 20 0 CBADLP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH+](CC(N)=O)C2CC2)C1 ZINC001391180954 900332280 /nfs/dbraw/zinc/33/22/80/900332280.db2.gz BGOVSWOGCDBWCK-LLVKDONJSA-N 2 2 282.388 -0.606 20 0 CBADLP C[C@@H]1CC[NH+](CC(=O)NCC[N@H+](CC(N)=O)C2CC2)C1 ZINC001391180954 900332291 /nfs/dbraw/zinc/33/22/91/900332291.db2.gz BGOVSWOGCDBWCK-LLVKDONJSA-N 2 2 282.388 -0.606 20 0 CBADLP C[C@@H]1CC[NH+](CC(=O)NCC[N@@H+](CC(N)=O)C2CC2)C1 ZINC001391180954 900332319 /nfs/dbraw/zinc/33/23/19/900332319.db2.gz BGOVSWOGCDBWCK-LLVKDONJSA-N 2 2 282.388 -0.606 20 0 CBADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH+](CC(N)=O)C1CC1 ZINC001391194889 900335248 /nfs/dbraw/zinc/33/52/48/900335248.db2.gz BYHCDHKPRSBLPJ-CYBMUJFWSA-N 2 2 296.415 -0.073 20 0 CBADLP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH+](CC(N)=O)C1CC1 ZINC001391194889 900335262 /nfs/dbraw/zinc/33/52/62/900335262.db2.gz BYHCDHKPRSBLPJ-CYBMUJFWSA-N 2 2 296.415 -0.073 20 0 CBADLP CC[NH+]1CCCC[C@@H]1C(=O)NCC[N@H+](CC(N)=O)C1CC1 ZINC001391194889 900335276 /nfs/dbraw/zinc/33/52/76/900335276.db2.gz BYHCDHKPRSBLPJ-CYBMUJFWSA-N 2 2 296.415 -0.073 20 0 CBADLP CC[NH+]1CCCC[C@@H]1C(=O)NCC[N@@H+](CC(N)=O)C1CC1 ZINC001391194889 900335288 /nfs/dbraw/zinc/33/52/88/900335288.db2.gz BYHCDHKPRSBLPJ-CYBMUJFWSA-N 2 2 296.415 -0.073 20 0 CBADLP C[C@@H](CC(=O)N(C)CC[NH2+][C@@H]1CCNC1=O)n1cc[nH+]c1 ZINC001391214499 900340333 /nfs/dbraw/zinc/34/03/33/900340333.db2.gz OZJRJHIWWAFCSE-NWDGAFQWSA-N 2 2 293.371 -0.229 20 0 CBADLP CCCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)Cn1cc[nH+]c1 ZINC001391227032 900348484 /nfs/dbraw/zinc/34/84/84/900348484.db2.gz QSDJUMCPYZHGKK-LBPRGKRZSA-N 2 2 295.387 -0.154 20 0 CBADLP CC[C@@H](C[NH+]1CC(NC(=O)CC[NH+]2CCOCC2)C1)OC ZINC001391451266 900382238 /nfs/dbraw/zinc/38/22/38/900382238.db2.gz IANQCIDEPDMCDF-AWEZNQCLSA-N 2 2 299.415 -0.066 20 0 CBADLP CN(C(=O)CCc1[nH+]ccn1C)[C@@H]1CC[N@H+](CCO)C1 ZINC001391614029 900418465 /nfs/dbraw/zinc/41/84/65/900418465.db2.gz PXRONCPYTVKIDV-GFCCVEGCSA-N 2 2 280.372 -0.122 20 0 CBADLP CN(C(=O)CCc1[nH+]ccn1C)[C@@H]1CC[N@@H+](CCO)C1 ZINC001391614029 900418471 /nfs/dbraw/zinc/41/84/71/900418471.db2.gz PXRONCPYTVKIDV-GFCCVEGCSA-N 2 2 280.372 -0.122 20 0 CBADLP CC[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](CC(N)=O)C1)[NH+](C)C ZINC001391621109 900423324 /nfs/dbraw/zinc/42/33/24/900423324.db2.gz MIDFATIICBZEHC-MNOVXSKESA-N 2 2 270.377 -0.655 20 0 CBADLP CC[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](CC(N)=O)C1)[NH+](C)C ZINC001391621109 900423329 /nfs/dbraw/zinc/42/33/29/900423329.db2.gz MIDFATIICBZEHC-MNOVXSKESA-N 2 2 270.377 -0.655 20 0 CBADLP C[C@@](C[NH2+]CC(N)=O)(NC(=O)CCn1cc[nH+]c1)C1CC1 ZINC001391809642 900451384 /nfs/dbraw/zinc/45/13/84/900451384.db2.gz ZAPMYUZQEYKRQH-AWEZNQCLSA-N 2 2 293.371 -0.367 20 0 CBADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)C[NH2+]Cc1ncnn1C ZINC001391927448 900463287 /nfs/dbraw/zinc/46/32/87/900463287.db2.gz IKLQAADEKMJPQJ-JTQLQIEISA-N 2 2 291.359 -0.377 20 0 CBADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)C[NH2+][C@@H]1CCNC1=O ZINC001391946365 900470108 /nfs/dbraw/zinc/47/01/08/900470108.db2.gz YVHDHDXDQMTKFB-VHSXEESVSA-N 2 2 279.344 -0.817 20 0 CBADLP CC[C@H]([NH2+]C[C@@H](C)CNC(=O)Cn1cc[nH+]c1)C(N)=O ZINC001391965711 900474923 /nfs/dbraw/zinc/47/49/23/900474923.db2.gz LOCPJZVNCGLEAD-MNOVXSKESA-N 2 2 281.360 -0.511 20 0 CBADLP Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)C[N@@H+](C)C(C)C)o1 ZINC001392427119 900614993 /nfs/dbraw/zinc/61/49/93/900614993.db2.gz LTLXNNBAECGQKL-LLVKDONJSA-N 2 2 299.375 -0.715 20 0 CBADLP Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)C[N@H+](C)C(C)C)o1 ZINC001392427119 900614995 /nfs/dbraw/zinc/61/49/95/900614995.db2.gz LTLXNNBAECGQKL-LLVKDONJSA-N 2 2 299.375 -0.715 20 0 CBADLP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001392563528 900662104 /nfs/dbraw/zinc/66/21/04/900662104.db2.gz OSVOEUUWMVDIRY-MNOVXSKESA-N 2 2 293.371 -0.475 20 0 CBADLP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001392563528 900662110 /nfs/dbraw/zinc/66/21/10/900662110.db2.gz OSVOEUUWMVDIRY-MNOVXSKESA-N 2 2 293.371 -0.475 20 0 CBADLP C[C@H](C[N@H+](C)[C@@H](C)C(N)=O)NC(=O)CCc1c[nH+]cn1C ZINC001392715346 900712825 /nfs/dbraw/zinc/71/28/25/900712825.db2.gz HKIKNWVZINNEEQ-MNOVXSKESA-N 2 2 295.387 -0.337 20 0 CBADLP C[C@H](C[N@@H+](C)[C@@H](C)C(N)=O)NC(=O)CCc1c[nH+]cn1C ZINC001392715346 900712832 /nfs/dbraw/zinc/71/28/32/900712832.db2.gz HKIKNWVZINNEEQ-MNOVXSKESA-N 2 2 295.387 -0.337 20 0 CBADLP C[C@H](C[N@H+](C)[C@@H]1CCCNC1=O)NC(=O)Cn1cc[nH+]c1 ZINC001392728035 900713881 /nfs/dbraw/zinc/71/38/81/900713881.db2.gz VYWLNZIGZSKLTA-VXGBXAGGSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@H](C[N@@H+](C)[C@@H]1CCCNC1=O)NC(=O)Cn1cc[nH+]c1 ZINC001392728035 900713899 /nfs/dbraw/zinc/71/38/99/900713899.db2.gz VYWLNZIGZSKLTA-VXGBXAGGSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@@H](O)C[NH2+]C[C@@H](NC(=O)Cc1c[nH+]cn1C)C1CC1 ZINC001392799280 900728172 /nfs/dbraw/zinc/72/81/72/900728172.db2.gz KVKLYEGTWLGZGE-ZWNOBZJWSA-N 2 2 280.372 -0.172 20 0 CBADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001392824201 900734544 /nfs/dbraw/zinc/73/45/44/900734544.db2.gz VRIYJKKCPSDCLH-RYUDHWBXSA-N 2 2 293.371 -0.544 20 0 CBADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001392824201 900734557 /nfs/dbraw/zinc/73/45/57/900734557.db2.gz VRIYJKKCPSDCLH-RYUDHWBXSA-N 2 2 293.371 -0.544 20 0 CBADLP C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001392857701 900742453 /nfs/dbraw/zinc/74/24/53/900742453.db2.gz WGJZQTSUXTTYFP-DGCLKSJQSA-N 2 2 296.415 -0.204 20 0 CBADLP C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001392857701 900742459 /nfs/dbraw/zinc/74/24/59/900742459.db2.gz WGJZQTSUXTTYFP-DGCLKSJQSA-N 2 2 296.415 -0.204 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001392881673 900748021 /nfs/dbraw/zinc/74/80/21/900748021.db2.gz WNNXXDFZLCTMCF-QWHCGFSZSA-N 2 2 296.415 -0.073 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001392881673 900748025 /nfs/dbraw/zinc/74/80/25/900748025.db2.gz WNNXXDFZLCTMCF-QWHCGFSZSA-N 2 2 296.415 -0.073 20 0 CBADLP CC[C@@H](C(=O)NCC1([NH2+]Cc2cn(C)nn2)CC1)[NH+](C)C ZINC001392949712 900764889 /nfs/dbraw/zinc/76/48/89/900764889.db2.gz MKZVCPQDQMYBJA-LBPRGKRZSA-N 2 2 294.403 -0.106 20 0 CBADLP COC[C@@H](O)C[NH2+]C1(CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001392941976 900766063 /nfs/dbraw/zinc/76/60/63/900766063.db2.gz POLKIOIZNTXFKL-JTQLQIEISA-N 2 2 282.344 -0.802 20 0 CBADLP C[C@@H](CNC(=O)C[NH+]1CCCC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001393119638 900798222 /nfs/dbraw/zinc/79/82/22/900798222.db2.gz QYPYTSCESWMODR-NSHDSACASA-N 2 2 293.371 -0.331 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@]1(O)CC[N@H+](CCCF)C1 ZINC001393273093 900823743 /nfs/dbraw/zinc/82/37/43/900823743.db2.gz VAPBZOCBCYXKFU-ZDUSSCGKSA-N 2 2 284.335 -0.135 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@]1(O)CC[N@@H+](CCCF)C1 ZINC001393273093 900823753 /nfs/dbraw/zinc/82/37/53/900823753.db2.gz VAPBZOCBCYXKFU-ZDUSSCGKSA-N 2 2 284.335 -0.135 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@@]1(O)CC[N@H+](CC2CC2)C1 ZINC001393287209 900825750 /nfs/dbraw/zinc/82/57/50/900825750.db2.gz AHFDYSRYBFEATC-AWEZNQCLSA-N 2 2 278.356 -0.154 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@@]1(O)CC[N@@H+](CC2CC2)C1 ZINC001393287209 900825758 /nfs/dbraw/zinc/82/57/58/900825758.db2.gz AHFDYSRYBFEATC-AWEZNQCLSA-N 2 2 278.356 -0.154 20 0 CBADLP CO[C@H](C)C[NH+]1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001393353530 900845984 /nfs/dbraw/zinc/84/59/84/900845984.db2.gz JMBLLLXJCMFOPK-VXGBXAGGSA-N 2 2 285.388 -0.864 20 0 CBADLP CO[C@H](C)C[NH+]1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001393353530 900845992 /nfs/dbraw/zinc/84/59/92/900845992.db2.gz JMBLLLXJCMFOPK-VXGBXAGGSA-N 2 2 285.388 -0.864 20 0 CBADLP CC[C@@H](C(=O)NCC1(O)C[NH+](CCCF)C1)[NH+](C)C ZINC001393362021 900847142 /nfs/dbraw/zinc/84/71/42/900847142.db2.gz SDJKQGHDOASWRF-NSHDSACASA-N 2 2 275.368 -0.151 20 0 CBADLP NC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001393521742 900868334 /nfs/dbraw/zinc/86/83/34/900868334.db2.gz CZABXFUMMJPJBZ-LLVKDONJSA-N 2 2 279.344 -0.661 20 0 CBADLP C[NH+](C)CCCC(=O)N[C@@H]1COC2(C[NH+](CCO)C2)C1 ZINC001393666332 900889646 /nfs/dbraw/zinc/88/96/46/900889646.db2.gz GLAQQIMXDHEXBY-LBPRGKRZSA-N 2 2 285.388 -0.720 20 0 CBADLP C[NH+](C)CCCC(=O)N[C@H]1COC2(C[NH+](CCO)C2)C1 ZINC001393666329 900891667 /nfs/dbraw/zinc/89/16/67/900891667.db2.gz GLAQQIMXDHEXBY-GFCCVEGCSA-N 2 2 285.388 -0.720 20 0 CBADLP C[C@H](O)C[NH2+]CC1(NC(=O)Cc2[nH]cc[nH+]2)CCOCC1 ZINC001393719573 900895845 /nfs/dbraw/zinc/89/58/45/900895845.db2.gz MDXJDHXRUUCGON-NSHDSACASA-N 2 2 296.371 -0.412 20 0 CBADLP C[C@@H](O)C[NH2+]CC1(NC(=O)Cc2[nH]cc[nH+]2)CCOCC1 ZINC001393719572 900897023 /nfs/dbraw/zinc/89/70/23/900897023.db2.gz MDXJDHXRUUCGON-LLVKDONJSA-N 2 2 296.371 -0.412 20 0 CBADLP CNC(=O)C[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC001393741871 900898411 /nfs/dbraw/zinc/89/84/11/900898411.db2.gz KJPNFELXUKZERM-QWRGUYRKSA-N 2 2 279.344 -0.934 20 0 CBADLP CC[NH+]1CCC(CO)(NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001393840316 900916335 /nfs/dbraw/zinc/91/63/35/900916335.db2.gz PCEXTEBKHNQJRL-LBPRGKRZSA-N 2 2 285.388 -0.720 20 0 CBADLP CC[NH+]1CCC(CO)(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001393840316 900916342 /nfs/dbraw/zinc/91/63/42/900916342.db2.gz PCEXTEBKHNQJRL-LBPRGKRZSA-N 2 2 285.388 -0.720 20 0 CBADLP C[C@@H]([NH2+]CC(C)(C)CN(C)C(=O)Cc1[nH]cc[nH+]1)C(N)=O ZINC001394033069 900951402 /nfs/dbraw/zinc/95/14/02/900951402.db2.gz VISDSZWADQTPHU-SNVBAGLBSA-N 2 2 295.387 -0.100 20 0 CBADLP C[C@@H]([NH2+]CCO)[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CCO1 ZINC001394330628 901014406 /nfs/dbraw/zinc/01/44/06/901014406.db2.gz OHDFAELBVPLNMM-DGCLKSJQSA-N 2 2 296.371 -0.840 20 0 CBADLP C[C@@H]([NH2+]CCO)[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CCO1 ZINC001394330663 901014972 /nfs/dbraw/zinc/01/49/72/901014972.db2.gz OHDFAELBVPLNMM-YPMHNXCESA-N 2 2 296.371 -0.840 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@H](C)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001394535143 901045331 /nfs/dbraw/zinc/04/53/31/901045331.db2.gz FRFPEGYPSAGDNZ-MNOVXSKESA-N 2 2 295.387 -0.466 20 0 CBADLP CO[C@H](C)C[N@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001394786074 901153290 /nfs/dbraw/zinc/15/32/90/901153290.db2.gz CECUZODZIZCRPQ-CHWSQXEVSA-N 2 2 298.387 -0.331 20 0 CBADLP CO[C@H](C)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001394786074 901153298 /nfs/dbraw/zinc/15/32/98/901153298.db2.gz CECUZODZIZCRPQ-CHWSQXEVSA-N 2 2 298.387 -0.331 20 0 CBADLP CC[C@@H](C(=O)N(CC[N@H+](C)CC(N)=O)C(C)C)[NH+](C)C ZINC001394807664 901158690 /nfs/dbraw/zinc/15/86/90/901158690.db2.gz JMDRMAHMBRWTEP-LBPRGKRZSA-N 2 2 286.420 -0.019 20 0 CBADLP CC[C@@H](C(=O)N(CC[N@@H+](C)CC(N)=O)C(C)C)[NH+](C)C ZINC001394807664 901158698 /nfs/dbraw/zinc/15/86/98/901158698.db2.gz JMDRMAHMBRWTEP-LBPRGKRZSA-N 2 2 286.420 -0.019 20 0 CBADLP C[C@@H](CNC(=O)CC[NH+](C)C)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001395174281 901186266 /nfs/dbraw/zinc/18/62/66/901186266.db2.gz YASGXKONJRBOLN-NSHDSACASA-N 2 2 295.387 -0.133 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)C[NH+](C)C(C)C ZINC001397046075 901360618 /nfs/dbraw/zinc/36/06/18/901360618.db2.gz RMNQEFQXUAGVKR-CHWSQXEVSA-N 2 2 298.431 -0.006 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)C[NH+](C)C(C)C ZINC001397046075 901360628 /nfs/dbraw/zinc/36/06/28/901360628.db2.gz RMNQEFQXUAGVKR-CHWSQXEVSA-N 2 2 298.431 -0.006 20 0 CBADLP CNC(=O)[C@@H](C)[NH+]1CC[C@@H]1CN(C)C(=O)C[N@H+](C)C(C)C ZINC001397046075 901360641 /nfs/dbraw/zinc/36/06/41/901360641.db2.gz RMNQEFQXUAGVKR-CHWSQXEVSA-N 2 2 298.431 -0.006 20 0 CBADLP CNC(=O)[C@@H](C)[NH+]1CC[C@@H]1CN(C)C(=O)C[N@@H+](C)C(C)C ZINC001397046075 901360655 /nfs/dbraw/zinc/36/06/55/901360655.db2.gz RMNQEFQXUAGVKR-CHWSQXEVSA-N 2 2 298.431 -0.006 20 0 CBADLP C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@H](C[NH2+]CC(N)=O)C1 ZINC001397177612 901374734 /nfs/dbraw/zinc/37/47/34/901374734.db2.gz YFFSFABPHYADPW-NEPJUHHUSA-N 2 2 293.371 -0.415 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC(N)=O)[C@@H]1C ZINC001397261802 901383357 /nfs/dbraw/zinc/38/33/57/901383357.db2.gz WPIYKDOXPNSOSR-MNOVXSKESA-N 2 2 270.377 -0.609 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CC(N)=O)[C@@H]1C ZINC001397261802 901383369 /nfs/dbraw/zinc/38/33/69/901383369.db2.gz WPIYKDOXPNSOSR-MNOVXSKESA-N 2 2 270.377 -0.609 20 0 CBADLP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@H+](CC(N)=O)[C@@H]1C ZINC001397261802 901383378 /nfs/dbraw/zinc/38/33/78/901383378.db2.gz WPIYKDOXPNSOSR-MNOVXSKESA-N 2 2 270.377 -0.609 20 0 CBADLP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CC(N)=O)[C@@H]1C ZINC001397261802 901383384 /nfs/dbraw/zinc/38/33/84/901383384.db2.gz WPIYKDOXPNSOSR-MNOVXSKESA-N 2 2 270.377 -0.609 20 0 CBADLP C[C@@H](O)C[NH2+][C@H]1C[C@@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001397612381 901439785 /nfs/dbraw/zinc/43/97/85/901439785.db2.gz UVPXJPIJPRQZJD-UTUOFQBUSA-N 2 2 280.372 -0.172 20 0 CBADLP CN(CCNC(=O)CC[NH+](C)C)C(=O)CCc1[nH]cc[nH+]1 ZINC001398023698 901491020 /nfs/dbraw/zinc/49/10/20/901491020.db2.gz GEAVJLNNSHYBCA-UHFFFAOYSA-N 2 2 295.387 -0.131 20 0 CBADLP NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001398342842 901524777 /nfs/dbraw/zinc/52/47/77/901524777.db2.gz OBPPDESJFRPHBP-GFCCVEGCSA-N 2 2 282.388 -0.462 20 0 CBADLP NC(=O)C[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001398342842 901524784 /nfs/dbraw/zinc/52/47/84/901524784.db2.gz OBPPDESJFRPHBP-GFCCVEGCSA-N 2 2 282.388 -0.462 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)NC[C@@H]([NH2+]CC(N)=O)C1CC1 ZINC001398459519 901539902 /nfs/dbraw/zinc/53/99/02/901539902.db2.gz XQRYUXZJIZSLPX-GFCCVEGCSA-N 2 2 293.371 -0.678 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001398551723 901558854 /nfs/dbraw/zinc/55/88/54/901558854.db2.gz HBCPMDJHJAZXIL-GUBZILKMSA-N 2 2 279.344 -0.677 20 0 CBADLP C[C@@H]([NH2+][C@@H]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1)C(N)=O ZINC001398564076 901562123 /nfs/dbraw/zinc/56/21/23/901562123.db2.gz NPQYHENFMZGZMC-USZNOCQGSA-N 2 2 293.371 -0.055 20 0 CBADLP CC[C@H](C(=O)NC1CN(C(=O)Cc2c[nH+]c[nH]2)C1)[NH+](C)C ZINC001398653034 901582536 /nfs/dbraw/zinc/58/25/36/901582536.db2.gz PSELQSUZWJEKOY-GFCCVEGCSA-N 2 2 293.371 -0.381 20 0 CBADLP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)C1)C(N)=O ZINC001398667080 901586853 /nfs/dbraw/zinc/58/68/53/901586853.db2.gz QJVFSZHSPOJKSN-UTUOFQBUSA-N 2 2 293.371 -0.226 20 0 CBADLP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)C1)C(N)=O ZINC001398667072 901589078 /nfs/dbraw/zinc/58/90/78/901589078.db2.gz QJVFSZHSPOJKSN-SDDRHHMPSA-N 2 2 293.371 -0.226 20 0 CBADLP CC[C@H]([NH2+][C@H](C)CNC(=O)CCn1cc[nH+]c1)C(N)=O ZINC001399048872 901657341 /nfs/dbraw/zinc/65/73/41/901657341.db2.gz QPBUDKASPAURLP-MNOVXSKESA-N 2 2 281.360 -0.369 20 0 CBADLP Cc1noc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001399119012 901670287 /nfs/dbraw/zinc/67/02/87/901670287.db2.gz PCPKOKIPJNKNNT-MWLCHTKSSA-N 2 2 281.360 -0.076 20 0 CBADLP Cc1noc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001399119012 901670296 /nfs/dbraw/zinc/67/02/96/901670296.db2.gz PCPKOKIPJNKNNT-MWLCHTKSSA-N 2 2 281.360 -0.076 20 0 CBADLP C[C@H](CNC(=O)CCc1c[nH+]cn1C)[NH2+][C@H]1CCNC1=O ZINC001399136721 901673669 /nfs/dbraw/zinc/67/36/69/901673669.db2.gz VXLCVDZVDHEHDR-PWSUYJOCSA-N 2 2 293.371 -0.665 20 0 CBADLP CC[C@H](C)NC(=O)C[NH2+][C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001399156916 901677562 /nfs/dbraw/zinc/67/75/62/901677562.db2.gz IWYMDIUJQKEOJA-RYUDHWBXSA-N 2 2 295.387 -0.108 20 0 CBADLP C[C@H](CCNC(=O)CCc1c[nH]c[nH+]1)[NH2+][C@@H](C)C(N)=O ZINC001399348171 901702317 /nfs/dbraw/zinc/70/23/17/901702317.db2.gz ZUGDOCWMBSXANZ-ZJUUUORDSA-N 2 2 281.360 -0.300 20 0 CBADLP C[C@H](CCNC(=O)CCc1c[nH+]c[nH]1)[NH2+][C@@H](C)C(N)=O ZINC001399348171 901702331 /nfs/dbraw/zinc/70/23/31/901702331.db2.gz ZUGDOCWMBSXANZ-ZJUUUORDSA-N 2 2 281.360 -0.300 20 0 CBADLP C[C@H](CCNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@@H]1CCCNC1=O ZINC001399394556 901709426 /nfs/dbraw/zinc/70/94/26/901709426.db2.gz HENVDRMOVRTZRN-GHMZBOCLSA-N 2 2 293.371 -0.285 20 0 CBADLP C[C@@H](CCNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CC(=O)N1CCC1 ZINC001399408979 901711482 /nfs/dbraw/zinc/71/14/82/901711482.db2.gz WLWNIJIBLCHWCM-NSHDSACASA-N 2 2 293.371 -0.331 20 0 CBADLP C[C@@H](CCNC(=O)Cc1c[nH+]cn1C)[NH2+][C@H]1CCNC1=O ZINC001399412202 901712700 /nfs/dbraw/zinc/71/27/00/901712700.db2.gz GOHBIQGVGPBEDG-JQWIXIFHSA-N 2 2 293.371 -0.665 20 0 CBADLP C[C@H](CCNC(=O)Cc1c[nH+]cn1C)[NH2+][C@H]1CCNC1=O ZINC001399412206 901713158 /nfs/dbraw/zinc/71/31/58/901713158.db2.gz GOHBIQGVGPBEDG-PWSUYJOCSA-N 2 2 293.371 -0.665 20 0 CBADLP C[NH+](CC(=O)NCC[N@@H+](C)CC(=O)NC1CC1)C1CCC1 ZINC001399507532 901737915 /nfs/dbraw/zinc/73/79/15/901737915.db2.gz VVIZEPQYNKLLHO-UHFFFAOYSA-N 2 2 296.415 -0.203 20 0 CBADLP C[NH+](CC(=O)NCC[N@H+](C)CC(=O)NC1CC1)C1CCC1 ZINC001399507532 901737924 /nfs/dbraw/zinc/73/79/24/901737924.db2.gz VVIZEPQYNKLLHO-UHFFFAOYSA-N 2 2 296.415 -0.203 20 0 CBADLP C[NH+](CCNC(=O)C[N@H+](C)C1CCC1)CC(=O)NC1CC1 ZINC001399507532 901737934 /nfs/dbraw/zinc/73/79/34/901737934.db2.gz VVIZEPQYNKLLHO-UHFFFAOYSA-N 2 2 296.415 -0.203 20 0 CBADLP C[NH+](CCNC(=O)C[N@@H+](C)C1CCC1)CC(=O)NC1CC1 ZINC001399507532 901737945 /nfs/dbraw/zinc/73/79/45/901737945.db2.gz VVIZEPQYNKLLHO-UHFFFAOYSA-N 2 2 296.415 -0.203 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001399944963 901841806 /nfs/dbraw/zinc/84/18/06/901841806.db2.gz LZSNEVRQKZTAQP-LLVKDONJSA-N 2 2 279.344 -0.885 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001399944963 901841812 /nfs/dbraw/zinc/84/18/12/901841812.db2.gz LZSNEVRQKZTAQP-LLVKDONJSA-N 2 2 279.344 -0.885 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NCC[N@H+](CC(N)=O)C1CC1 ZINC001400039056 901859465 /nfs/dbraw/zinc/85/94/65/901859465.db2.gz MHXQBSPFOCFSIN-UHFFFAOYSA-N 2 2 279.344 -0.743 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NCC[N@@H+](CC(N)=O)C1CC1 ZINC001400039056 901859474 /nfs/dbraw/zinc/85/94/74/901859474.db2.gz MHXQBSPFOCFSIN-UHFFFAOYSA-N 2 2 279.344 -0.743 20 0 CBADLP C[C@H]([NH2+]CCN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1)C(N)=O ZINC001400052286 901862721 /nfs/dbraw/zinc/86/27/21/901862721.db2.gz MXJDGFBWCZLNQO-QWRGUYRKSA-N 2 2 293.371 -0.633 20 0 CBADLP C[C@@H]([NH2+]CCN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1)C(N)=O ZINC001400052260 901864066 /nfs/dbraw/zinc/86/40/66/901864066.db2.gz MXJDGFBWCZLNQO-MNOVXSKESA-N 2 2 293.371 -0.633 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NCC[NH+](CC(N)=O)C1CC1 ZINC001400053430 901868138 /nfs/dbraw/zinc/86/81/38/901868138.db2.gz JPSKADAAQNTOOV-UHFFFAOYSA-N 2 2 270.377 -0.608 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NCC[NH+](CC(N)=O)C1CC1 ZINC001400053430 901868144 /nfs/dbraw/zinc/86/81/44/901868144.db2.gz JPSKADAAQNTOOV-UHFFFAOYSA-N 2 2 270.377 -0.608 20 0 CBADLP CC(C)[NH+](C)CC(=O)NCC[N@H+](CC(N)=O)C1CC1 ZINC001400053430 901868154 /nfs/dbraw/zinc/86/81/54/901868154.db2.gz JPSKADAAQNTOOV-UHFFFAOYSA-N 2 2 270.377 -0.608 20 0 CBADLP CC(C)[NH+](C)CC(=O)NCC[N@@H+](CC(N)=O)C1CC1 ZINC001400053430 901868163 /nfs/dbraw/zinc/86/81/63/901868163.db2.gz JPSKADAAQNTOOV-UHFFFAOYSA-N 2 2 270.377 -0.608 20 0 CBADLP COC[C@@H](O)C[NH+]1CC(NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001400431822 901939422 /nfs/dbraw/zinc/93/94/22/901939422.db2.gz PFDCQYFASJZKOB-STQMWFEESA-N 2 2 287.404 -0.620 20 0 CBADLP COC[C@@H](O)C[NH+]1CC(CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001400461265 901944773 /nfs/dbraw/zinc/94/47/73/901944773.db2.gz FOLZVBSVPNZINQ-ZDUSSCGKSA-N 2 2 296.371 -0.602 20 0 CBADLP CC(C)NC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001400471830 901948780 /nfs/dbraw/zinc/94/87/80/901948780.db2.gz NRWCNHYKGIDNQR-ZDUSSCGKSA-N 2 2 296.415 -0.347 20 0 CBADLP CC(C)NC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001400471830 901948802 /nfs/dbraw/zinc/94/88/02/901948802.db2.gz NRWCNHYKGIDNQR-ZDUSSCGKSA-N 2 2 296.415 -0.347 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001400497169 901957526 /nfs/dbraw/zinc/95/75/26/901957526.db2.gz BLTROSHYEMRXJV-AAEUAGOBSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001400497169 901957537 /nfs/dbraw/zinc/95/75/37/901957537.db2.gz BLTROSHYEMRXJV-AAEUAGOBSA-N 2 2 296.415 -0.217 20 0 CBADLP CCNC(=O)C[NH+]1CC(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001400503266 901958123 /nfs/dbraw/zinc/95/81/23/901958123.db2.gz FGLILXIJCVBBCX-UHFFFAOYSA-N 2 2 296.415 -0.345 20 0 CBADLP CCNC(=O)C[NH+]1CC(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001400503266 901958135 /nfs/dbraw/zinc/95/81/35/901958135.db2.gz FGLILXIJCVBBCX-UHFFFAOYSA-N 2 2 296.415 -0.345 20 0 CBADLP C[C@H]1CC[N@H+](CC(=O)NCC2C[NH+]([C@H]3CCNC3=O)C2)C1 ZINC001400523222 901960955 /nfs/dbraw/zinc/96/09/55/901960955.db2.gz BKMLGRKJQVLCDR-AAEUAGOBSA-N 2 2 294.399 -0.735 20 0 CBADLP C[C@H]1CC[N@@H+](CC(=O)NCC2C[NH+]([C@H]3CCNC3=O)C2)C1 ZINC001400523222 901960968 /nfs/dbraw/zinc/96/09/68/901960968.db2.gz BKMLGRKJQVLCDR-AAEUAGOBSA-N 2 2 294.399 -0.735 20 0 CBADLP CC(C)[C@H](C(=O)NCC1C[NH+]([C@@H]2CCNC2=O)C1)[NH+](C)C ZINC001400534122 901963852 /nfs/dbraw/zinc/96/38/52/901963852.db2.gz RIBVEWIDTTXLMN-CHWSQXEVSA-N 2 2 296.415 -0.491 20 0 CBADLP CCNC(=O)C[NH+]1CC(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001400546624 901969265 /nfs/dbraw/zinc/96/92/65/901969265.db2.gz JKDSRLIMVNJLOD-LBPRGKRZSA-N 2 2 296.415 -0.488 20 0 CBADLP CCNC(=O)C[NH+]1CC(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001400546624 901969277 /nfs/dbraw/zinc/96/92/77/901969277.db2.gz JKDSRLIMVNJLOD-LBPRGKRZSA-N 2 2 296.415 -0.488 20 0 CBADLP COC[C@@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1c[nH+]c[nH]1 ZINC001400585756 901977137 /nfs/dbraw/zinc/97/71/37/901977137.db2.gz DMXKSWOPUPAGAC-AVGNSLFASA-N 2 2 294.355 -0.755 20 0 CBADLP COC[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1c[nH+]c[nH]1 ZINC001400585756 901977151 /nfs/dbraw/zinc/97/71/51/901977151.db2.gz DMXKSWOPUPAGAC-AVGNSLFASA-N 2 2 294.355 -0.755 20 0 CBADLP COC[C@H](O)C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001400734721 902003443 /nfs/dbraw/zinc/00/34/43/902003443.db2.gz SPTOITKOWPARTJ-CHWSQXEVSA-N 2 2 296.371 -0.508 20 0 CBADLP COC[C@H](O)C[N@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001400734721 902003457 /nfs/dbraw/zinc/00/34/57/902003457.db2.gz SPTOITKOWPARTJ-CHWSQXEVSA-N 2 2 296.371 -0.508 20 0 CBADLP CC[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1cnnn1C ZINC001400908195 902036019 /nfs/dbraw/zinc/03/60/19/902036019.db2.gz BGOZXEOZRGCKPX-LLVKDONJSA-N 2 2 291.359 -0.304 20 0 CBADLP CC[C@H]([NH2+]C[C@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1)C(N)=O ZINC001401092515 902052963 /nfs/dbraw/zinc/05/29/63/902052963.db2.gz IFDIKQSRZGIOHW-MNOVXSKESA-N 2 2 293.371 -0.203 20 0 CBADLP CC[C@H](C(=O)NC[C@@H]1C[N@H+](CCOC)CCO1)[NH+](C)C ZINC001401173443 902072575 /nfs/dbraw/zinc/07/25/75/902072575.db2.gz XULSVERSQJZXGM-CHWSQXEVSA-N 2 2 287.404 -0.210 20 0 CBADLP CC[C@H](C(=O)NC[C@@H]1C[N@@H+](CCOC)CCO1)[NH+](C)C ZINC001401173443 902072586 /nfs/dbraw/zinc/07/25/86/902072586.db2.gz XULSVERSQJZXGM-CHWSQXEVSA-N 2 2 287.404 -0.210 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001401231208 902089129 /nfs/dbraw/zinc/08/91/29/902089129.db2.gz PUFYTBHRVUTJCU-GMTAPVOTSA-N 2 2 293.371 -0.304 20 0 CBADLP CC(C)[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1nnn(C)n1 ZINC001401331886 902105262 /nfs/dbraw/zinc/10/52/62/902105262.db2.gz DXRXWQVBCJXSQT-NSHDSACASA-N 2 2 297.407 -0.608 20 0 CBADLP CC(C)[C@H](CNC(=O)CCn1cc[nH+]c1)[NH2+][C@@H](C)C(N)=O ZINC001401341483 902106169 /nfs/dbraw/zinc/10/61/69/902106169.db2.gz SOVSXQIXGWXCIU-RYUDHWBXSA-N 2 2 295.387 -0.123 20 0 CBADLP CC(C)[C@@H](CNC(=O)CC[NH+](C)C)[NH2+][C@@H]1CCN(C)C1=O ZINC001401330504 902107007 /nfs/dbraw/zinc/10/70/07/902107007.db2.gz AQPGAUMTXVQDNP-CHWSQXEVSA-N 2 2 298.431 -0.101 20 0 CBADLP CC(C)[C@H](CNC(=O)CCn1cc[nH+]c1)[NH2+][C@H](C)C(N)=O ZINC001401341471 902107117 /nfs/dbraw/zinc/10/71/17/902107117.db2.gz SOVSXQIXGWXCIU-NEPJUHHUSA-N 2 2 295.387 -0.123 20 0 CBADLP Cc1nnc([C@H](C)[NH2+]C[C@H](O)CNC(=O)CC[NH+](C)C)o1 ZINC001401558192 902165209 /nfs/dbraw/zinc/16/52/09/902165209.db2.gz PUAUWGDIFNQJRC-ONGXEEELSA-N 2 2 299.375 -0.543 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]Cc1csnn1 ZINC001401557645 902165486 /nfs/dbraw/zinc/16/54/86/902165486.db2.gz NRCBULWGHIXKQG-GHMZBOCLSA-N 2 2 299.400 -0.801 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]Cc1csnn1 ZINC001401557645 902165498 /nfs/dbraw/zinc/16/54/98/902165498.db2.gz NRCBULWGHIXKQG-GHMZBOCLSA-N 2 2 299.400 -0.801 20 0 CBADLP Cc1oncc1C[NH2+]C[C@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001401558963 902166602 /nfs/dbraw/zinc/16/66/02/902166602.db2.gz BCDHFLUECKEMCJ-LBPRGKRZSA-N 2 2 293.327 -0.484 20 0 CBADLP CCN(CC[NH2+][C@@H](C)C(N)=O)C(=O)Cc1[nH]c[nH+]c1C ZINC001401596856 902182719 /nfs/dbraw/zinc/18/27/19/902182719.db2.gz PADHUQMJKHLJQM-JTQLQIEISA-N 2 2 281.360 -0.427 20 0 CBADLP Cc1ncc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2C[N@H+](C)CCO2)o1 ZINC001401618167 902191488 /nfs/dbraw/zinc/19/14/88/902191488.db2.gz IEOPIYHRQSTXPZ-MFKMUULPSA-N 2 2 296.371 -0.092 20 0 CBADLP Cc1ncc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2C[N@@H+](C)CCO2)o1 ZINC001401618167 902191500 /nfs/dbraw/zinc/19/15/00/902191500.db2.gz IEOPIYHRQSTXPZ-MFKMUULPSA-N 2 2 296.371 -0.092 20 0 CBADLP C[C@H](C[NH2+]Cc1ccn(C)n1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001401619219 902193228 /nfs/dbraw/zinc/19/32/28/902193228.db2.gz LPOZZKSUAVNUFU-DGCLKSJQSA-N 2 2 295.387 -0.655 20 0 CBADLP C[C@H](C[NH2+]Cc1ccn(C)n1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001401619219 902193234 /nfs/dbraw/zinc/19/32/34/902193234.db2.gz LPOZZKSUAVNUFU-DGCLKSJQSA-N 2 2 295.387 -0.655 20 0 CBADLP C[C@H](C[NH2+]CC(=O)NCC1CC1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001401648622 902208232 /nfs/dbraw/zinc/20/82/32/902208232.db2.gz OQIRIZGJESERLW-SNVBAGLBSA-N 2 2 293.371 -0.427 20 0 CBADLP C[C@@H](C[N@H+](C)CCO)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001401770432 902263959 /nfs/dbraw/zinc/26/39/59/902263959.db2.gz VLSZCXDHABDXNV-NWDGAFQWSA-N 2 2 280.372 -0.126 20 0 CBADLP C[C@@H](C[N@@H+](C)CCO)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001401770432 902263968 /nfs/dbraw/zinc/26/39/68/902263968.db2.gz VLSZCXDHABDXNV-NWDGAFQWSA-N 2 2 280.372 -0.126 20 0 CBADLP C[C@@H](C[N@H+](C)CCO)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001401770438 902267584 /nfs/dbraw/zinc/26/75/84/902267584.db2.gz VLSZCXDHABDXNV-RYUDHWBXSA-N 2 2 280.372 -0.126 20 0 CBADLP C[C@@H](C[N@@H+](C)CCO)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001401770438 902267590 /nfs/dbraw/zinc/26/75/90/902267590.db2.gz VLSZCXDHABDXNV-RYUDHWBXSA-N 2 2 280.372 -0.126 20 0 CBADLP CCC[N@H+](C)CC(=O)NC[C@H]1CC[NH+]1CC(=O)N1CCC1 ZINC001401934710 902319048 /nfs/dbraw/zinc/31/90/48/902319048.db2.gz JXBBTHLWOZCMRG-CYBMUJFWSA-N 2 2 296.415 -0.249 20 0 CBADLP CCC[N@@H+](C)CC(=O)NC[C@H]1CC[NH+]1CC(=O)N1CCC1 ZINC001401934710 902319054 /nfs/dbraw/zinc/31/90/54/902319054.db2.gz JXBBTHLWOZCMRG-CYBMUJFWSA-N 2 2 296.415 -0.249 20 0 CBADLP CCC[NH+](C)CC(=O)NC[C@H]1CC[N@@H+]1CC(=O)N1CCC1 ZINC001401934710 902319069 /nfs/dbraw/zinc/31/90/69/902319069.db2.gz JXBBTHLWOZCMRG-CYBMUJFWSA-N 2 2 296.415 -0.249 20 0 CBADLP CCC[NH+](C)CC(=O)NC[C@H]1CC[N@H+]1CC(=O)N1CCC1 ZINC001401934710 902319084 /nfs/dbraw/zinc/31/90/84/902319084.db2.gz JXBBTHLWOZCMRG-CYBMUJFWSA-N 2 2 296.415 -0.249 20 0 CBADLP CC[C@@H](C(=O)N(C)C1C[NH+](C[C@@H](O)COC)C1)[NH+](C)C ZINC001402020152 902337939 /nfs/dbraw/zinc/33/79/39/902337939.db2.gz KBTYTWDSPZWDOE-OLZOCXBDSA-N 2 2 287.404 -0.524 20 0 CBADLP C[C@@H]([NH2+]CC(N)=O)[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001402041797 902344073 /nfs/dbraw/zinc/34/40/73/902344073.db2.gz MODXVVISNGMNPL-ZYHUDNBSSA-N 2 2 293.371 -0.203 20 0 CBADLP CN(C)C(=O)C[NH2+]C[C@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001402053155 902347885 /nfs/dbraw/zinc/34/78/85/902347885.db2.gz JOIOQACIIYDUMP-LLVKDONJSA-N 2 2 293.371 -0.379 20 0 CBADLP CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001402084565 902351414 /nfs/dbraw/zinc/35/14/14/902351414.db2.gz XBMMBUTYPQAPIA-QWHCGFSZSA-N 2 2 296.415 -0.203 20 0 CBADLP CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001402084565 902351426 /nfs/dbraw/zinc/35/14/26/902351426.db2.gz XBMMBUTYPQAPIA-QWHCGFSZSA-N 2 2 296.415 -0.203 20 0 CBADLP CCNC(=O)C[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001402084565 902351440 /nfs/dbraw/zinc/35/14/40/902351440.db2.gz XBMMBUTYPQAPIA-QWHCGFSZSA-N 2 2 296.415 -0.203 20 0 CBADLP CCNC(=O)C[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001402084565 902351451 /nfs/dbraw/zinc/35/14/51/902351451.db2.gz XBMMBUTYPQAPIA-QWHCGFSZSA-N 2 2 296.415 -0.203 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CCC(C)(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001402088691 902356013 /nfs/dbraw/zinc/35/60/13/902356013.db2.gz UDJBCHRULDYSNE-NSHDSACASA-N 2 2 293.371 -0.272 20 0 CBADLP COC[C@H](O)C[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001402171294 902376168 /nfs/dbraw/zinc/37/61/68/902376168.db2.gz FLHPZJMHKFFXMP-CHWSQXEVSA-N 2 2 296.371 -0.460 20 0 CBADLP COC[C@H](O)C[N@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001402171294 902376171 /nfs/dbraw/zinc/37/61/71/902376171.db2.gz FLHPZJMHKFFXMP-CHWSQXEVSA-N 2 2 296.371 -0.460 20 0 CBADLP COC[C@H](O)C[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001402171294 902376191 /nfs/dbraw/zinc/37/61/91/902376191.db2.gz FLHPZJMHKFFXMP-CHWSQXEVSA-N 2 2 296.371 -0.460 20 0 CBADLP COC[C@H](O)C[N@H+]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001402171294 902376205 /nfs/dbraw/zinc/37/62/05/902376205.db2.gz FLHPZJMHKFFXMP-CHWSQXEVSA-N 2 2 296.371 -0.460 20 0 CBADLP COC[C@@H](C)[NH+]1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001402385641 902443998 /nfs/dbraw/zinc/44/39/98/902443998.db2.gz LQDNQBFMGLIKJF-VXGBXAGGSA-N 2 2 285.388 -0.864 20 0 CBADLP COC[C@@H](C)[NH+]1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001402385641 902444000 /nfs/dbraw/zinc/44/40/00/902444000.db2.gz LQDNQBFMGLIKJF-VXGBXAGGSA-N 2 2 285.388 -0.864 20 0 CBADLP NC(=O)C[N@@H+]1CCC[C@H](NC(=O)CCn2cc[nH+]c2)CC1 ZINC001402614368 902491201 /nfs/dbraw/zinc/49/12/01/902491201.db2.gz BGWRFFVCSHDDLM-LBPRGKRZSA-N 2 2 293.371 -0.271 20 0 CBADLP NC(=O)C[N@H+]1CCC[C@H](NC(=O)CCn2cc[nH+]c2)CC1 ZINC001402614368 902491204 /nfs/dbraw/zinc/49/12/04/902491204.db2.gz BGWRFFVCSHDDLM-LBPRGKRZSA-N 2 2 293.371 -0.271 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CCC(C)([NH2+]CC(N)=O)CC1 ZINC001402769392 902516145 /nfs/dbraw/zinc/51/61/45/902516145.db2.gz MWSWCJWOXPKBON-UHFFFAOYSA-N 2 2 293.371 -0.581 20 0 CBADLP CNC(=O)C[NH2+][C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001402779143 902518505 /nfs/dbraw/zinc/51/85/05/902518505.db2.gz AOUCERGBMSOJJP-KOLCDFICSA-N 2 2 279.344 -0.865 20 0 CBADLP Cc1nocc1C[NH2+][C@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001402867408 902545655 /nfs/dbraw/zinc/54/56/55/902545655.db2.gz NMTGIVBAXDMTCA-MFKMUULPSA-N 2 2 296.371 -0.092 20 0 CBADLP Cc1nocc1C[NH2+][C@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001402867408 902545665 /nfs/dbraw/zinc/54/56/65/902545665.db2.gz NMTGIVBAXDMTCA-MFKMUULPSA-N 2 2 296.371 -0.092 20 0 CBADLP C[N@H+](CCCO)C[C@H]1CCCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC001402904265 902556661 /nfs/dbraw/zinc/55/66/61/902556661.db2.gz MOJKKTNXHUTXSH-ZIAGYGMSSA-N 2 2 299.415 -0.378 20 0 CBADLP C[N@@H+](CCCO)C[C@H]1CCCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC001402904265 902556669 /nfs/dbraw/zinc/55/66/69/902556669.db2.gz MOJKKTNXHUTXSH-ZIAGYGMSSA-N 2 2 299.415 -0.378 20 0 CBADLP C[NH+](CCCO)C[C@H]1CCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001402904265 902556672 /nfs/dbraw/zinc/55/66/72/902556672.db2.gz MOJKKTNXHUTXSH-ZIAGYGMSSA-N 2 2 299.415 -0.378 20 0 CBADLP C[NH+](CCCO)C[C@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001402904265 902556676 /nfs/dbraw/zinc/55/66/76/902556676.db2.gz MOJKKTNXHUTXSH-ZIAGYGMSSA-N 2 2 299.415 -0.378 20 0 CBADLP Cc1cn(C(C)(C)C(=O)NC[C@H](C)[NH2+][C@H](C)C(N)=O)c[nH+]1 ZINC001402927985 902564160 /nfs/dbraw/zinc/56/41/60/902564160.db2.gz XGRPDUNZVNTVQR-GXSJLCMTSA-N 2 2 295.387 -0.105 20 0 CBADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CCS(C)(=O)=O ZINC001403048085 902602180 /nfs/dbraw/zinc/60/21/80/902602180.db2.gz BLTNTOVFOGLAJQ-VIFPVBQESA-N 2 2 288.373 -0.909 20 0 CBADLP CCN(C)C(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001403053106 902602697 /nfs/dbraw/zinc/60/26/97/902602697.db2.gz NQVRGWVRFONWFL-MNOVXSKESA-N 2 2 295.387 -0.087 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC[C@@H](C)[NH2+]Cc1nncn1C ZINC001403136344 902626713 /nfs/dbraw/zinc/62/67/13/902626713.db2.gz KAYJAZHLEVVKEK-SNVBAGLBSA-N 2 2 291.359 -0.385 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+](C)[C@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001403133947 902627094 /nfs/dbraw/zinc/62/70/94/902627094.db2.gz DMEGCWRTALDEME-PWSUYJOCSA-N 2 2 295.387 -0.108 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+](C)[C@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001403133947 902627107 /nfs/dbraw/zinc/62/71/07/902627107.db2.gz DMEGCWRTALDEME-PWSUYJOCSA-N 2 2 295.387 -0.108 20 0 CBADLP CC[C@H](C(N)=O)[N@H+](C)[C@@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001403133937 902627489 /nfs/dbraw/zinc/62/74/89/902627489.db2.gz DMEGCWRTALDEME-CMPLNLGQSA-N 2 2 295.387 -0.108 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+](C)[C@@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001403133937 902627495 /nfs/dbraw/zinc/62/74/95/902627495.db2.gz DMEGCWRTALDEME-CMPLNLGQSA-N 2 2 295.387 -0.108 20 0 CBADLP C[C@@H](NC(=O)CCc1c[nH+]cn1C)C1C[NH+](CCO)C1 ZINC001403340063 902672113 /nfs/dbraw/zinc/67/21/13/902672113.db2.gz XGTRQXVBLKNNRL-LLVKDONJSA-N 2 2 280.372 -0.219 20 0 CBADLP C[C@H](CCNC(=O)CCn1cc[nH+]c1)[NH2+]CC(=O)N(C)C ZINC001403406585 902683636 /nfs/dbraw/zinc/68/36/36/902683636.db2.gz FNFDGJQXQOTOAV-GFCCVEGCSA-N 2 2 295.387 -0.154 20 0 CBADLP C[C@H](CCNC(=O)CCc1c[nH+]cn1C)[NH2+][C@@H](C)C(N)=O ZINC001403474793 902696818 /nfs/dbraw/zinc/69/68/18/902696818.db2.gz SBYQMAZKFVQPLQ-MNOVXSKESA-N 2 2 295.387 -0.289 20 0 CBADLP CCN(C)C(=O)C[N@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001403503011 902703912 /nfs/dbraw/zinc/70/39/12/902703912.db2.gz AHJWFHPYOXBFDV-GFCCVEGCSA-N 2 2 284.404 -0.393 20 0 CBADLP CCN(C)C(=O)C[N@@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001403503011 902703920 /nfs/dbraw/zinc/70/39/20/902703920.db2.gz AHJWFHPYOXBFDV-GFCCVEGCSA-N 2 2 284.404 -0.393 20 0 CBADLP CCN(C)C(=O)C[NH+](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001403503011 902703931 /nfs/dbraw/zinc/70/39/31/902703931.db2.gz AHJWFHPYOXBFDV-GFCCVEGCSA-N 2 2 284.404 -0.393 20 0 CBADLP CCN(C)C(=O)C[NH+](C)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001403503011 902703937 /nfs/dbraw/zinc/70/39/37/902703937.db2.gz AHJWFHPYOXBFDV-GFCCVEGCSA-N 2 2 284.404 -0.393 20 0 CBADLP C[C@@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+]Cc1cnnn1C ZINC001403628057 902757551 /nfs/dbraw/zinc/75/75/51/902757551.db2.gz LHMYRSKDALYONG-NSHDSACASA-N 2 2 291.359 -0.352 20 0 CBADLP O=C(NC[C@@H](CO)[NH2+]CC1CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001403667339 902787953 /nfs/dbraw/zinc/78/79/53/902787953.db2.gz KLISXJALVDXFAN-QJPTWQEYSA-N 2 2 278.356 -0.010 20 0 CBADLP O=C(NC[C@@H](CO)[NH2+]CC1CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001403667339 902787967 /nfs/dbraw/zinc/78/79/67/902787967.db2.gz KLISXJALVDXFAN-QJPTWQEYSA-N 2 2 278.356 -0.010 20 0 CBADLP CC[NH2+][C@H](CO)CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001403666462 902789837 /nfs/dbraw/zinc/78/98/37/902789837.db2.gz IFZMPLRIVOIHIS-GXFFZTMASA-N 2 2 295.387 -0.123 20 0 CBADLP CC[NH2+][C@H](CO)CNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001403666462 902789846 /nfs/dbraw/zinc/78/98/46/902789846.db2.gz IFZMPLRIVOIHIS-GXFFZTMASA-N 2 2 295.387 -0.123 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC[C@@H](CO)[NH2+]CC1CCC1 ZINC001403730737 902829695 /nfs/dbraw/zinc/82/96/95/902829695.db2.gz QHRDDTMVCNQFQH-LBPRGKRZSA-N 2 2 280.372 -0.171 20 0 CBADLP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH+](C)[C@@H]1CCNC1=O ZINC001403782780 902848286 /nfs/dbraw/zinc/84/82/86/902848286.db2.gz CLUJQYLACGZVCM-OLZOCXBDSA-N 2 2 296.415 -0.203 20 0 CBADLP CC[N@H+]1CCCC[C@H]1C(=O)NCC[NH+](C)[C@@H]1CCNC1=O ZINC001403782780 902848296 /nfs/dbraw/zinc/84/82/96/902848296.db2.gz CLUJQYLACGZVCM-OLZOCXBDSA-N 2 2 296.415 -0.203 20 0 CBADLP CC[NH+]1CCCC[C@H]1C(=O)NCC[N@H+](C)[C@@H]1CCNC1=O ZINC001403782780 902848307 /nfs/dbraw/zinc/84/83/07/902848307.db2.gz CLUJQYLACGZVCM-OLZOCXBDSA-N 2 2 296.415 -0.203 20 0 CBADLP CC[NH+]1CCCC[C@H]1C(=O)NCC[N@@H+](C)[C@@H]1CCNC1=O ZINC001403782780 902848319 /nfs/dbraw/zinc/84/83/19/902848319.db2.gz CLUJQYLACGZVCM-OLZOCXBDSA-N 2 2 296.415 -0.203 20 0 CBADLP NC(=O)C[NH2+]C[C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001403815262 902855067 /nfs/dbraw/zinc/85/50/67/902855067.db2.gz OOCBZFKCGQMTDC-QWRGUYRKSA-N 2 2 279.344 -0.757 20 0 CBADLP CC[N@H+](CCNC(=O)Cn1cc[nH+]c1)[C@@H]1CCNC1=O ZINC001403945662 902912327 /nfs/dbraw/zinc/91/23/27/902912327.db2.gz MCXDZTYEPAEJSU-LLVKDONJSA-N 2 2 279.344 -0.790 20 0 CBADLP CC[N@@H+](CCNC(=O)Cn1cc[nH+]c1)[C@@H]1CCNC1=O ZINC001403945662 902912332 /nfs/dbraw/zinc/91/23/32/902912332.db2.gz MCXDZTYEPAEJSU-LLVKDONJSA-N 2 2 279.344 -0.790 20 0 CBADLP CNC(=O)C[NH2+]C1CC(N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001404018310 902923972 /nfs/dbraw/zinc/92/39/72/902923972.db2.gz JSSASPIKIBLPHQ-UHFFFAOYSA-N 2 2 279.344 -0.723 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+]1CCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001404017898 902924763 /nfs/dbraw/zinc/92/47/63/902924763.db2.gz FSYJRZRAXGGWQN-NWDGAFQWSA-N 2 2 293.371 -0.272 20 0 CBADLP CC[C@H](C(N)=O)[N@H+]1CCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001404017898 902924775 /nfs/dbraw/zinc/92/47/75/902924775.db2.gz FSYJRZRAXGGWQN-NWDGAFQWSA-N 2 2 293.371 -0.272 20 0 CBADLP CNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001404091006 902938418 /nfs/dbraw/zinc/93/84/18/902938418.db2.gz LFSPZEWMQGFMOI-QWHCGFSZSA-N 2 2 296.415 -0.345 20 0 CBADLP CNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001404091006 902938429 /nfs/dbraw/zinc/93/84/29/902938429.db2.gz LFSPZEWMQGFMOI-QWHCGFSZSA-N 2 2 296.415 -0.345 20 0 CBADLP CNC(=O)C[NH+]1CCC[C@@H]1CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001404091006 902938440 /nfs/dbraw/zinc/93/84/40/902938440.db2.gz LFSPZEWMQGFMOI-QWHCGFSZSA-N 2 2 296.415 -0.345 20 0 CBADLP CNC(=O)C[NH+]1CCC[C@@H]1CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001404091006 902938446 /nfs/dbraw/zinc/93/84/46/902938446.db2.gz LFSPZEWMQGFMOI-QWHCGFSZSA-N 2 2 296.415 -0.345 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001404093440 902938715 /nfs/dbraw/zinc/93/87/15/902938715.db2.gz YSAROMVADVTJMK-NXEZZACHSA-N 2 2 279.344 -0.736 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001404093440 902938721 /nfs/dbraw/zinc/93/87/21/902938721.db2.gz YSAROMVADVTJMK-NXEZZACHSA-N 2 2 279.344 -0.736 20 0 CBADLP NC(=O)C[N@@H+]1CC[C@@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001404104873 902940857 /nfs/dbraw/zinc/94/08/57/902940857.db2.gz QNJVUVMTUARAIN-LBPRGKRZSA-N 2 2 293.371 -0.413 20 0 CBADLP NC(=O)C[N@H+]1CC[C@@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001404104873 902940867 /nfs/dbraw/zinc/94/08/67/902940867.db2.gz QNJVUVMTUARAIN-LBPRGKRZSA-N 2 2 293.371 -0.413 20 0 CBADLP Cn1nccc1CC[NH+]1CC(NC(=O)CC[NH+](C)C)C1 ZINC001404808728 903033668 /nfs/dbraw/zinc/03/36/68/903033668.db2.gz UADFBZQHFAQMHR-UHFFFAOYSA-N 2 2 279.388 -0.285 20 0 CBADLP CNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001404930172 903055272 /nfs/dbraw/zinc/05/52/72/903055272.db2.gz FXVGSYAWFAIFBC-SNVBAGLBSA-N 2 2 293.371 -0.626 20 0 CBADLP CC[N@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[NH+]2[C@@H](C)C(N)=O ZINC001404981007 903065190 /nfs/dbraw/zinc/06/51/90/903065190.db2.gz QEZORVAOXVUZKW-SRVKXCTJSA-N 2 2 282.388 -0.513 20 0 CBADLP CC[N@@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[NH+]2[C@@H](C)C(N)=O ZINC001404981007 903065199 /nfs/dbraw/zinc/06/51/99/903065199.db2.gz QEZORVAOXVUZKW-SRVKXCTJSA-N 2 2 282.388 -0.513 20 0 CBADLP CC[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H](C)C(N)=O ZINC001404981007 903065210 /nfs/dbraw/zinc/06/52/10/903065210.db2.gz QEZORVAOXVUZKW-SRVKXCTJSA-N 2 2 282.388 -0.513 20 0 CBADLP CC[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H](C)C(N)=O ZINC001404981007 903065222 /nfs/dbraw/zinc/06/52/22/903065222.db2.gz QEZORVAOXVUZKW-SRVKXCTJSA-N 2 2 282.388 -0.513 20 0 CBADLP CC[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]CC(N)=O ZINC001405244936 903127888 /nfs/dbraw/zinc/12/78/88/903127888.db2.gz AYXYSKGNHMXWEQ-OPRDCNLKSA-N 2 2 279.344 -0.517 20 0 CBADLP CC[C@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+][C@@H]1CCNC1=O ZINC001405254127 903130326 /nfs/dbraw/zinc/13/03/26/903130326.db2.gz MDDHDELESOPFQD-ZYHUDNBSSA-N 2 2 293.371 -0.285 20 0 CBADLP CC[C@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH2+][C@@H]1CCNC1=O ZINC001405254127 903130335 /nfs/dbraw/zinc/13/03/35/903130335.db2.gz MDDHDELESOPFQD-ZYHUDNBSSA-N 2 2 293.371 -0.285 20 0 CBADLP CCNC(=O)C[NH2+][C@H](CC)CNC(=O)Cc1c[nH+]cn1C ZINC001405333486 903147698 /nfs/dbraw/zinc/14/76/98/903147698.db2.gz JJXXHVYMRZBYKX-LLVKDONJSA-N 2 2 295.387 -0.417 20 0 CBADLP CC[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CCn1cncn1 ZINC001405362131 903155222 /nfs/dbraw/zinc/15/52/22/903155222.db2.gz HULNHQWVRAYFQX-LBPRGKRZSA-N 2 2 291.359 -0.341 20 0 CBADLP CC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](CCOC)CCO1 ZINC001405737267 903212705 /nfs/dbraw/zinc/21/27/05/903212705.db2.gz IAWZRFAVFVQZIZ-CYBMUJFWSA-N 2 2 287.404 -0.208 20 0 CBADLP CC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+](CCOC)CCO1 ZINC001405737267 903212719 /nfs/dbraw/zinc/21/27/19/903212719.db2.gz IAWZRFAVFVQZIZ-CYBMUJFWSA-N 2 2 287.404 -0.208 20 0 CBADLP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](CCOC)CCO1 ZINC001405737267 903212731 /nfs/dbraw/zinc/21/27/31/903212731.db2.gz IAWZRFAVFVQZIZ-CYBMUJFWSA-N 2 2 287.404 -0.208 20 0 CBADLP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+](CCOC)CCO1 ZINC001405737267 903212739 /nfs/dbraw/zinc/21/27/39/903212739.db2.gz IAWZRFAVFVQZIZ-CYBMUJFWSA-N 2 2 287.404 -0.208 20 0 CBADLP CNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)CCn1cc[nH+]c1 ZINC001405846006 903234866 /nfs/dbraw/zinc/23/48/66/903234866.db2.gz DFFKVQFTQPMSPF-NSHDSACASA-N 2 2 281.360 -0.544 20 0 CBADLP CNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)Cc1c[nH+]cn1C ZINC001405873029 903240494 /nfs/dbraw/zinc/24/04/94/903240494.db2.gz NWKCFVGJCWMQDI-JTQLQIEISA-N 2 2 281.360 -0.855 20 0 CBADLP CC[C@@H]([NH2+]C[C@@H](C)N(C)C(=O)Cc1c[nH+]c[nH]1)C(N)=O ZINC001405876852 903240740 /nfs/dbraw/zinc/24/07/40/903240740.db2.gz RDICICJKXQRKSD-MWLCHTKSSA-N 2 2 281.360 -0.347 20 0 CBADLP C[C@@H](C[NH2+][C@@H](C)C(=O)N(C)C)N(C)C(=O)Cn1cc[nH+]c1 ZINC001405925917 903245852 /nfs/dbraw/zinc/24/58/52/903245852.db2.gz ZWZCLMYLTRXJGU-RYUDHWBXSA-N 2 2 295.387 -0.204 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@H](CNC(=O)Cc1[nH]cc[nH+]1)C(C)C ZINC001406078600 903262150 /nfs/dbraw/zinc/26/21/50/903262150.db2.gz XVIFMNKUHHDYNC-GHMZBOCLSA-N 2 2 295.387 -0.183 20 0 CBADLP CN(CC[N@H+](C)CC(N)=O)C(=O)CC[C@H]1CCC[NH+]1C ZINC001406111935 903273638 /nfs/dbraw/zinc/27/36/38/903273638.db2.gz PWRMYBMNRZKBKP-GFCCVEGCSA-N 2 2 284.404 -0.264 20 0 CBADLP CN(CC[N@@H+](C)CC(N)=O)C(=O)CC[C@H]1CCC[NH+]1C ZINC001406111935 903273653 /nfs/dbraw/zinc/27/36/53/903273653.db2.gz PWRMYBMNRZKBKP-GFCCVEGCSA-N 2 2 284.404 -0.264 20 0 CBADLP CN(CC[NH+](C)CC(N)=O)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001406111935 903273665 /nfs/dbraw/zinc/27/36/65/903273665.db2.gz PWRMYBMNRZKBKP-GFCCVEGCSA-N 2 2 284.404 -0.264 20 0 CBADLP CN(CC[NH+](C)CC(N)=O)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001406111935 903273675 /nfs/dbraw/zinc/27/36/75/903273675.db2.gz PWRMYBMNRZKBKP-GFCCVEGCSA-N 2 2 284.404 -0.264 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]CC[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001406303273 903348609 /nfs/dbraw/zinc/34/86/09/903348609.db2.gz GAMYDKJOPXNWES-NXEZZACHSA-N 2 2 281.360 -0.429 20 0 CBADLP Cc1ncoc1C[NH2+]C[C@@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001406318920 903353973 /nfs/dbraw/zinc/35/39/73/903353973.db2.gz NMMPWSSZVIGDKR-LLVKDONJSA-N 2 2 293.327 -0.554 20 0 CBADLP Cc1ncoc1C[NH2+]C[C@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001406318928 903356030 /nfs/dbraw/zinc/35/60/30/903356030.db2.gz NMMPWSSZVIGDKR-NSHDSACASA-N 2 2 293.327 -0.554 20 0 CBADLP CCN(CC[NH2+][C@@H]1CCNC1=O)C(=O)Cn1cc[nH+]c1 ZINC001406327710 903358261 /nfs/dbraw/zinc/35/82/61/903358261.db2.gz XHQSHILFTGACEU-LLVKDONJSA-N 2 2 279.344 -0.790 20 0 CBADLP C[C@H](C[NH2+][C@@H]1CCN(C)C1=O)NC(=O)CCc1c[nH]c[nH+]1 ZINC001406362949 903376885 /nfs/dbraw/zinc/37/68/85/903376885.db2.gz IZARSFRLWRWDRL-ZYHUDNBSSA-N 2 2 293.371 -0.333 20 0 CBADLP C[C@H](C[NH2+][C@@H]1CCN(C)C1=O)NC(=O)CCc1c[nH+]c[nH]1 ZINC001406362949 903376901 /nfs/dbraw/zinc/37/69/01/903376901.db2.gz IZARSFRLWRWDRL-ZYHUDNBSSA-N 2 2 293.371 -0.333 20 0 CBADLP CC[C@H]([NH2+]C[C@H](C)NC(=O)CCc1c[nH]c[nH+]1)C(N)=O ZINC001406484350 903414249 /nfs/dbraw/zinc/41/42/49/903414249.db2.gz PRDFXSHOHPREKP-ONGXEEELSA-N 2 2 281.360 -0.300 20 0 CBADLP CC[C@H]([NH2+]C[C@H](C)NC(=O)CCc1c[nH+]c[nH]1)C(N)=O ZINC001406484350 903414261 /nfs/dbraw/zinc/41/42/61/903414261.db2.gz PRDFXSHOHPREKP-ONGXEEELSA-N 2 2 281.360 -0.300 20 0 CBADLP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H](C)C[N@H+](C)CC(N)=O ZINC001406613090 903445918 /nfs/dbraw/zinc/44/59/18/903445918.db2.gz PQHNLAUSPJIABM-NWDGAFQWSA-N 2 2 284.404 -0.219 20 0 CBADLP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H](C)C[N@@H+](C)CC(N)=O ZINC001406613090 903445923 /nfs/dbraw/zinc/44/59/23/903445923.db2.gz PQHNLAUSPJIABM-NWDGAFQWSA-N 2 2 284.404 -0.219 20 0 CBADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH+](C)CC(N)=O ZINC001406613090 903445927 /nfs/dbraw/zinc/44/59/27/903445927.db2.gz PQHNLAUSPJIABM-NWDGAFQWSA-N 2 2 284.404 -0.219 20 0 CBADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH+](C)CC(N)=O ZINC001406613090 903445934 /nfs/dbraw/zinc/44/59/34/903445934.db2.gz PQHNLAUSPJIABM-NWDGAFQWSA-N 2 2 284.404 -0.219 20 0 CBADLP CC[C@@H](C(=O)NC[C@H]1CC[N@@H+]1CCn1cncn1)[NH+](C)C ZINC001406853597 903492192 /nfs/dbraw/zinc/49/21/92/903492192.db2.gz DNHANNOOQDTVRO-OLZOCXBDSA-N 2 2 294.403 -0.191 20 0 CBADLP CC[C@@H](C(=O)NC[C@H]1CC[N@H+]1CCn1cncn1)[NH+](C)C ZINC001406853597 903492202 /nfs/dbraw/zinc/49/22/02/903492202.db2.gz DNHANNOOQDTVRO-OLZOCXBDSA-N 2 2 294.403 -0.191 20 0 CBADLP CC[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1CCn1cncn1)[NH+](C)C ZINC001406853602 903493176 /nfs/dbraw/zinc/49/31/76/903493176.db2.gz DNHANNOOQDTVRO-STQMWFEESA-N 2 2 294.403 -0.191 20 0 CBADLP CC[C@@H](C(=O)NC[C@@H]1CC[N@H+]1CCn1cncn1)[NH+](C)C ZINC001406853602 903493180 /nfs/dbraw/zinc/49/31/80/903493180.db2.gz DNHANNOOQDTVRO-STQMWFEESA-N 2 2 294.403 -0.191 20 0 CBADLP COC[C@H](O)C[NH2+]C1(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001406974140 903521365 /nfs/dbraw/zinc/52/13/65/903521365.db2.gz NSPNIPIBLGYSNF-LLVKDONJSA-N 2 2 282.344 -0.802 20 0 CBADLP CC[N@H+](C)CCC(=O)NC[C@@H]1COCC[NH+]1C[C@@H](C)O ZINC001407743088 903652637 /nfs/dbraw/zinc/65/26/37/903652637.db2.gz DPXKTZQYYKKQEB-CHWSQXEVSA-N 2 2 287.404 -0.474 20 0 CBADLP CC[N@@H+](C)CCC(=O)NC[C@@H]1COCC[NH+]1C[C@@H](C)O ZINC001407743088 903652641 /nfs/dbraw/zinc/65/26/41/903652641.db2.gz DPXKTZQYYKKQEB-CHWSQXEVSA-N 2 2 287.404 -0.474 20 0 CBADLP CC[NH+](C)CCC(=O)NC[C@@H]1COCC[N@@H+]1C[C@@H](C)O ZINC001407743088 903652646 /nfs/dbraw/zinc/65/26/46/903652646.db2.gz DPXKTZQYYKKQEB-CHWSQXEVSA-N 2 2 287.404 -0.474 20 0 CBADLP CC[NH+](C)CCC(=O)NC[C@@H]1COCC[N@H+]1C[C@@H](C)O ZINC001407743088 903652652 /nfs/dbraw/zinc/65/26/52/903652652.db2.gz DPXKTZQYYKKQEB-CHWSQXEVSA-N 2 2 287.404 -0.474 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@@H](C)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001408227583 903735263 /nfs/dbraw/zinc/73/52/63/903735263.db2.gz TZOYBDATBIXQMX-VHSXEESVSA-N 2 2 281.360 -0.429 20 0 CBADLP C[C@@H](C(N)=O)[N@H+](C)C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001408355567 903756397 /nfs/dbraw/zinc/75/63/97/903756397.db2.gz IZJZPWFQGBISEQ-NWDGAFQWSA-N 2 2 293.371 -0.320 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+](C)C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001408355567 903756409 /nfs/dbraw/zinc/75/64/09/903756409.db2.gz IZJZPWFQGBISEQ-NWDGAFQWSA-N 2 2 293.371 -0.320 20 0 CBADLP CN(CCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)Cn1cc[nH+]c1 ZINC001408575410 903790043 /nfs/dbraw/zinc/79/00/43/903790043.db2.gz WZVNWFXTZXYZTR-LBPRGKRZSA-N 2 2 293.371 -0.591 20 0 CBADLP CN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)Cn1cc[nH+]c1 ZINC001408575410 903790054 /nfs/dbraw/zinc/79/00/54/903790054.db2.gz WZVNWFXTZXYZTR-LBPRGKRZSA-N 2 2 293.371 -0.591 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NCCN(C)C(=O)Cn1cc[nH+]c1 ZINC001408594396 903791965 /nfs/dbraw/zinc/79/19/65/903791965.db2.gz QULVWFQUIHAQPW-UHFFFAOYSA-N 2 2 295.387 -0.202 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NCCN(C)C(=O)Cn1cc[nH+]c1 ZINC001408594396 903791967 /nfs/dbraw/zinc/79/19/67/903791967.db2.gz QULVWFQUIHAQPW-UHFFFAOYSA-N 2 2 295.387 -0.202 20 0 CBADLP CCC[N@H+](C)CC(=O)N(C)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001408704995 903807986 /nfs/dbraw/zinc/80/79/86/903807986.db2.gz MKYAQAXVHKKNJL-UHFFFAOYSA-N 2 2 295.387 -0.131 20 0 CBADLP CCC[N@@H+](C)CC(=O)N(C)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001408704995 903808000 /nfs/dbraw/zinc/80/80/00/903808000.db2.gz MKYAQAXVHKKNJL-UHFFFAOYSA-N 2 2 295.387 -0.131 20 0 CBADLP CCNC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001409350033 903890382 /nfs/dbraw/zinc/89/03/82/903890382.db2.gz CPIGYVJYSNTEFK-NXEZZACHSA-N 2 2 281.360 -0.429 20 0 CBADLP C[C@@H]([NH2+]CC(=O)N(C)C)[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001409396304 903898778 /nfs/dbraw/zinc/89/87/78/903898778.db2.gz MLEFARJSSWTBKS-ZJUUUORDSA-N 2 2 281.360 -0.477 20 0 CBADLP CCN(C)C(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001409449834 903901353 /nfs/dbraw/zinc/90/13/53/903901353.db2.gz DOTHYMBCCWVNOE-NEPJUHHUSA-N 2 2 295.387 -0.156 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NC[C@H](C)[N@H+](C)[C@H](C)C(N)=O ZINC001409581989 903929241 /nfs/dbraw/zinc/92/92/41/903929241.db2.gz NDGCFRLJEQRRDT-GXSJLCMTSA-N 2 2 281.360 -0.498 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NC[C@H](C)[N@@H+](C)[C@H](C)C(N)=O ZINC001409581989 903929251 /nfs/dbraw/zinc/92/92/51/903929251.db2.gz NDGCFRLJEQRRDT-GXSJLCMTSA-N 2 2 281.360 -0.498 20 0 CBADLP C[C@H](O)C[NH+]1CC(CCO)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001409749523 903971502 /nfs/dbraw/zinc/97/15/02/903971502.db2.gz KRFKXBLOZCZFTJ-LBPRGKRZSA-N 2 2 297.399 -0.984 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@@H](C[NH2+]CC(N)=O)C1CC1 ZINC001410323053 904067363 /nfs/dbraw/zinc/06/73/63/904067363.db2.gz GOIBEYYAENCPJO-LBPRGKRZSA-N 2 2 293.371 -0.427 20 0 CBADLP CNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001410398084 904090689 /nfs/dbraw/zinc/09/06/89/904090689.db2.gz QIUXPVIPEWCRRY-JTQLQIEISA-N 2 2 281.360 -0.475 20 0 CBADLP CNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001410398084 904090701 /nfs/dbraw/zinc/09/07/01/904090701.db2.gz QIUXPVIPEWCRRY-JTQLQIEISA-N 2 2 281.360 -0.475 20 0 CBADLP C[C@H](CN(C)C(=O)Cc1[nH]cc[nH+]1)[NH2+]Cc1cnnn1C ZINC001410477706 904105002 /nfs/dbraw/zinc/10/50/02/904105002.db2.gz YKEDKHXQPQREBW-SNVBAGLBSA-N 2 2 291.359 -0.283 20 0 CBADLP C[C@@H]1[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc2ccon2)CC[N@@H+]1C ZINC001410650419 904150628 /nfs/dbraw/zinc/15/06/28/904150628.db2.gz HCNFEVKZRCJPHF-KGYLQXTDSA-N 2 2 296.371 -0.419 20 0 CBADLP C[C@@H]1[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc2ccon2)CC[N@H+]1C ZINC001410650419 904150650 /nfs/dbraw/zinc/15/06/50/904150650.db2.gz HCNFEVKZRCJPHF-KGYLQXTDSA-N 2 2 296.371 -0.419 20 0 CBADLP C[C@@H](O)C[NH2+]C[C@@H](O)CN(C)C(=O)CCn1cc[nH+]c1 ZINC001411068773 904229120 /nfs/dbraw/zinc/22/91/20/904229120.db2.gz KTCCENXFEPEIND-VXGBXAGGSA-N 2 2 284.360 -0.937 20 0 CBADLP C[C@H](O)C[NH2+]C[C@H](O)CN(C)C(=O)CCn1cc[nH+]c1 ZINC001411068771 904230261 /nfs/dbraw/zinc/23/02/61/904230261.db2.gz KTCCENXFEPEIND-RYUDHWBXSA-N 2 2 284.360 -0.937 20 0 CBADLP C[C@@H](CC[NH+](C)C)C(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001411768916 904354625 /nfs/dbraw/zinc/35/46/25/904354625.db2.gz QOLNKBAATBLUJZ-RYUDHWBXSA-N 2 2 284.404 -0.360 20 0 CBADLP C[C@@H](CC[NH+](C)C)C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001411768916 904354642 /nfs/dbraw/zinc/35/46/42/904354642.db2.gz QOLNKBAATBLUJZ-RYUDHWBXSA-N 2 2 284.404 -0.360 20 0 CBADLP C[NH+](C)CCC(=O)N[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001414797040 905515694 /nfs/dbraw/zinc/51/56/94/905515694.db2.gz PJVCTDQSHPJEKF-NSHDSACASA-N 2 2 293.371 -0.379 20 0 CBADLP CN(CCNC(=O)Cc1c[nH+]cn1C)C(=O)CC[NH+](C)C ZINC001415561763 905637317 /nfs/dbraw/zinc/63/73/17/905637317.db2.gz WPLJNYIRYVEDLR-UHFFFAOYSA-N 2 2 295.387 -0.511 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NC1CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001416006369 905692120 /nfs/dbraw/zinc/69/21/20/905692120.db2.gz WMURECJVGFDBQG-UHFFFAOYSA-N 2 2 293.371 -0.381 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NC1CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001416006369 905692124 /nfs/dbraw/zinc/69/21/24/905692124.db2.gz WMURECJVGFDBQG-UHFFFAOYSA-N 2 2 293.371 -0.381 20 0 CBADLP CN(C(=O)CC[NH+](C)C)C1CN(C(=O)Cn2cc[nH+]c2)C1 ZINC001417280466 905884129 /nfs/dbraw/zinc/88/41/29/905884129.db2.gz YBXDYXQYSMMCKA-UHFFFAOYSA-N 2 2 293.371 -0.496 20 0 CBADLP C[C@H](C(=O)NC1CC[NH+]([C@H]2CCOC2=O)CC1)[NH+](C)C ZINC001417688195 905988088 /nfs/dbraw/zinc/98/80/88/905988088.db2.gz LZHWNTFICCQQBS-PWSUYJOCSA-N 2 2 283.372 -0.167 20 0 CBADLP C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@H](C[NH2+]CC(N)=O)C1 ZINC001417816498 906060530 /nfs/dbraw/zinc/06/05/30/906060530.db2.gz XCEPCQFCCYBQNH-MNOVXSKESA-N 2 2 293.371 -0.346 20 0 CBADLP COC[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001418078259 906160401 /nfs/dbraw/zinc/16/04/01/906160401.db2.gz NSXYRYDHOOHSSO-IJLUTSLNSA-N 2 2 282.344 -0.873 20 0 CBADLP CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001418093014 906166034 /nfs/dbraw/zinc/16/60/34/906166034.db2.gz DELVJIRNTQUQSC-LMLFDSFASA-N 2 2 291.355 -0.504 20 0 CBADLP CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001418093014 906166056 /nfs/dbraw/zinc/16/60/56/906166056.db2.gz DELVJIRNTQUQSC-LMLFDSFASA-N 2 2 291.355 -0.504 20 0 CBADLP C[C@@H](CNC(=O)CCc1[nH+]ccn1C)[NH2+][C@@H](C)C(N)=O ZINC001418260948 906242340 /nfs/dbraw/zinc/24/23/40/906242340.db2.gz GYTPQGZMQRUOKK-UWVGGRQHSA-N 2 2 281.360 -0.679 20 0 CBADLP CCCNC(=O)C[NH2+][C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001418321368 906277520 /nfs/dbraw/zinc/27/75/20/906277520.db2.gz KUOCKYKMXCAOBI-LLVKDONJSA-N 2 2 281.360 -0.496 20 0 CBADLP CN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001418334772 906287495 /nfs/dbraw/zinc/28/74/95/906287495.db2.gz JKWPSWTWYDINAX-JTQLQIEISA-N 2 2 279.344 -0.769 20 0 CBADLP CNC(=O)C[NH2+][C@H](C)CCNC(=O)CCc1c[nH+]cn1C ZINC001418433343 906318680 /nfs/dbraw/zinc/31/86/80/906318680.db2.gz XQOYDAJSKFXDRZ-LLVKDONJSA-N 2 2 295.387 -0.417 20 0 CBADLP CC(C)N(C)C(=O)C[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001418447891 906331169 /nfs/dbraw/zinc/33/11/69/906331169.db2.gz IRTWLQGMLQPHGR-ZDUSSCGKSA-N 2 2 298.431 -0.005 20 0 CBADLP CC(C)N(C)C(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001418447891 906331182 /nfs/dbraw/zinc/33/11/82/906331182.db2.gz IRTWLQGMLQPHGR-ZDUSSCGKSA-N 2 2 298.431 -0.005 20 0 CBADLP CC(C)N(C)C(=O)C[NH+](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001418447891 906331194 /nfs/dbraw/zinc/33/11/94/906331194.db2.gz IRTWLQGMLQPHGR-ZDUSSCGKSA-N 2 2 298.431 -0.005 20 0 CBADLP CC(C)N(C)C(=O)C[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001418447891 906331207 /nfs/dbraw/zinc/33/12/07/906331207.db2.gz IRTWLQGMLQPHGR-ZDUSSCGKSA-N 2 2 298.431 -0.005 20 0 CBADLP CC(C)N(C)C(=O)C[N@H+](C)CCNC(=O)CC[NH+](C)C ZINC001418492298 906364256 /nfs/dbraw/zinc/36/42/56/906364256.db2.gz QFVWWVSSBIJWGF-UHFFFAOYSA-N 2 2 286.420 -0.147 20 0 CBADLP CC(C)N(C)C(=O)C[N@@H+](C)CCNC(=O)CC[NH+](C)C ZINC001418492298 906364270 /nfs/dbraw/zinc/36/42/70/906364270.db2.gz QFVWWVSSBIJWGF-UHFFFAOYSA-N 2 2 286.420 -0.147 20 0 CBADLP C[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)CC(=O)NCC1CC1 ZINC001418489981 906366252 /nfs/dbraw/zinc/36/62/52/906366252.db2.gz UTMIREWDCGEIMY-CYBMUJFWSA-N 2 2 296.415 -0.345 20 0 CBADLP C[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)CC(=O)NCC1CC1 ZINC001418489981 906366269 /nfs/dbraw/zinc/36/62/69/906366269.db2.gz UTMIREWDCGEIMY-CYBMUJFWSA-N 2 2 296.415 -0.345 20 0 CBADLP C[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)CC(=O)NCC1CC1 ZINC001418489981 906366282 /nfs/dbraw/zinc/36/62/82/906366282.db2.gz UTMIREWDCGEIMY-CYBMUJFWSA-N 2 2 296.415 -0.345 20 0 CBADLP C[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)CC(=O)NCC1CC1 ZINC001418489981 906366300 /nfs/dbraw/zinc/36/63/00/906366300.db2.gz UTMIREWDCGEIMY-CYBMUJFWSA-N 2 2 296.415 -0.345 20 0 CBADLP COC[C@@H](O)C[N@H+](C)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001418500048 906369920 /nfs/dbraw/zinc/36/99/20/906369920.db2.gz XXRCIBUDYRYHQQ-NSHDSACASA-N 2 2 270.333 -0.993 20 0 CBADLP COC[C@@H](O)C[N@@H+](C)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001418500048 906369940 /nfs/dbraw/zinc/36/99/40/906369940.db2.gz XXRCIBUDYRYHQQ-NSHDSACASA-N 2 2 270.333 -0.993 20 0 CBADLP CCC[N@H+](CCNC(=O)Cn1cc[nH+]c1)[C@H]1CCNC1=O ZINC001418735321 906459935 /nfs/dbraw/zinc/45/99/35/906459935.db2.gz ANDYEEGDTSYFDD-LBPRGKRZSA-N 2 2 293.371 -0.400 20 0 CBADLP CCC[N@@H+](CCNC(=O)Cn1cc[nH+]c1)[C@H]1CCNC1=O ZINC001418735321 906459941 /nfs/dbraw/zinc/45/99/41/906459941.db2.gz ANDYEEGDTSYFDD-LBPRGKRZSA-N 2 2 293.371 -0.400 20 0 CBADLP CN(C)C(=O)C[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)C1CC1 ZINC001418753857 906462527 /nfs/dbraw/zinc/46/25/27/906462527.db2.gz PXCXGPLXOBBZBL-CYBMUJFWSA-N 2 2 296.415 -0.251 20 0 CBADLP CN(C)C(=O)C[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)C1CC1 ZINC001418753857 906462537 /nfs/dbraw/zinc/46/25/37/906462537.db2.gz PXCXGPLXOBBZBL-CYBMUJFWSA-N 2 2 296.415 -0.251 20 0 CBADLP CN(C)C(=O)C[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001418753857 906462549 /nfs/dbraw/zinc/46/25/49/906462549.db2.gz PXCXGPLXOBBZBL-CYBMUJFWSA-N 2 2 296.415 -0.251 20 0 CBADLP CN(C)C(=O)C[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001418753857 906462554 /nfs/dbraw/zinc/46/25/54/906462554.db2.gz PXCXGPLXOBBZBL-CYBMUJFWSA-N 2 2 296.415 -0.251 20 0 CBADLP CCCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001418818284 906484240 /nfs/dbraw/zinc/48/42/40/906484240.db2.gz IEWTUCFXZUDGMB-LLVKDONJSA-N 2 2 295.387 -0.085 20 0 CBADLP CCN1CC[C@H]([NH2+]CCN(C)C(=O)Cc2[nH]cc[nH+]2)C1=O ZINC001418822915 906489702 /nfs/dbraw/zinc/48/97/02/906489702.db2.gz CAGRTYMYKLZTTJ-NSHDSACASA-N 2 2 293.371 -0.379 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)CCn1cc[nH+]c1 ZINC001418823704 906490718 /nfs/dbraw/zinc/49/07/18/906490718.db2.gz MOOBNSLSQNJUPO-NSHDSACASA-N 2 2 281.360 -0.544 20 0 CBADLP C[N@@H+]1CCN(C(=O)CC[NH+]2CC[C@@H](F)C2)C[C@H]1CO ZINC001418912602 906511396 /nfs/dbraw/zinc/51/13/96/906511396.db2.gz ZZUIYJGWKLCOCV-NEPJUHHUSA-N 2 2 273.352 -0.445 20 0 CBADLP C[N@H+]1CCN(C(=O)CC[NH+]2CC[C@@H](F)C2)C[C@H]1CO ZINC001418912602 906511406 /nfs/dbraw/zinc/51/14/06/906511406.db2.gz ZZUIYJGWKLCOCV-NEPJUHHUSA-N 2 2 273.352 -0.445 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@@H](F)C2)C[C@H]1CO ZINC001418912602 906511413 /nfs/dbraw/zinc/51/14/13/906511413.db2.gz ZZUIYJGWKLCOCV-NEPJUHHUSA-N 2 2 273.352 -0.445 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@@H](F)C2)C[C@H]1CO ZINC001418912602 906511419 /nfs/dbraw/zinc/51/14/19/906511419.db2.gz ZZUIYJGWKLCOCV-NEPJUHHUSA-N 2 2 273.352 -0.445 20 0 CBADLP CC[C@H](C(=O)N(C)[C@H]1CC[N@H+](CC(N)=O)C1)[NH+](C)C ZINC001419140010 906608616 /nfs/dbraw/zinc/60/86/16/906608616.db2.gz MIDFATIICBZEHC-WDEREUQCSA-N 2 2 270.377 -0.655 20 0 CBADLP CC[C@H](C(=O)N(C)[C@H]1CC[N@@H+](CC(N)=O)C1)[NH+](C)C ZINC001419140010 906608630 /nfs/dbraw/zinc/60/86/30/906608630.db2.gz MIDFATIICBZEHC-WDEREUQCSA-N 2 2 270.377 -0.655 20 0 CBADLP CC[C@@H](CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[NH2+]CC(=O)NC ZINC001419238858 906645560 /nfs/dbraw/zinc/64/55/60/906645560.db2.gz CIKWPPFHJASPPG-QWRGUYRKSA-N 2 2 295.387 -0.181 20 0 CBADLP CC[C@@H](CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[NH2+]CC(=O)NC ZINC001419238858 906645571 /nfs/dbraw/zinc/64/55/71/906645571.db2.gz CIKWPPFHJASPPG-QWRGUYRKSA-N 2 2 295.387 -0.181 20 0 CBADLP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1nnn(C)n1 ZINC001419292131 906658400 /nfs/dbraw/zinc/65/84/00/906658400.db2.gz WWUMTZWPAOEMSL-GHMZBOCLSA-N 2 2 295.391 -0.854 20 0 CBADLP CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1nnn(C)n1 ZINC001419292131 906658409 /nfs/dbraw/zinc/65/84/09/906658409.db2.gz WWUMTZWPAOEMSL-GHMZBOCLSA-N 2 2 295.391 -0.854 20 0 CBADLP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1nnn(C)n1 ZINC001419292148 906659012 /nfs/dbraw/zinc/65/90/12/906659012.db2.gz WWUMTZWPAOEMSL-WDEREUQCSA-N 2 2 295.391 -0.854 20 0 CBADLP CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1nnn(C)n1 ZINC001419292148 906659022 /nfs/dbraw/zinc/65/90/22/906659022.db2.gz WWUMTZWPAOEMSL-WDEREUQCSA-N 2 2 295.391 -0.854 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H]([NH2+][C@@H]1CCNC1=O)C1CC1 ZINC001419299292 906659675 /nfs/dbraw/zinc/65/96/75/906659675.db2.gz KPOXIIXNSICZBH-MNOVXSKESA-N 2 2 291.355 -0.675 20 0 CBADLP CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001419430987 906684855 /nfs/dbraw/zinc/68/48/55/906684855.db2.gz YCYYLCIVTZRMOV-DCAQKATOSA-N 2 2 293.371 -0.429 20 0 CBADLP CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001419430987 906684866 /nfs/dbraw/zinc/68/48/66/906684866.db2.gz YCYYLCIVTZRMOV-DCAQKATOSA-N 2 2 293.371 -0.429 20 0 CBADLP C[C@@H]([NH2+][C@@H]1C[C@@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1)C(N)=O ZINC001419425827 906686584 /nfs/dbraw/zinc/68/65/84/906686584.db2.gz HQLZKKMWCDYBNB-VLEAKVRGSA-N 2 2 293.371 -0.301 20 0 CBADLP C[C@@H]([NH2+][C@@H]1C[C@@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1)C(N)=O ZINC001419425827 906686591 /nfs/dbraw/zinc/68/65/91/906686591.db2.gz HQLZKKMWCDYBNB-VLEAKVRGSA-N 2 2 293.371 -0.301 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001419460836 906696089 /nfs/dbraw/zinc/69/60/89/906696089.db2.gz JVNHMAIUHKJDAA-SNVBAGLBSA-N 2 2 281.360 -0.570 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001419460836 906696100 /nfs/dbraw/zinc/69/61/00/906696100.db2.gz JVNHMAIUHKJDAA-SNVBAGLBSA-N 2 2 281.360 -0.570 20 0 CBADLP COC[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001419513238 906709054 /nfs/dbraw/zinc/70/90/54/906709054.db2.gz NSXYRYDHOOHSSO-GRYCIOLGSA-N 2 2 282.344 -0.873 20 0 CBADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)C[NH2+][C@@H](C)C(=O)N(C)C ZINC001419515391 906712638 /nfs/dbraw/zinc/71/26/38/906712638.db2.gz FLFYIICANHKIFO-MNOVXSKESA-N 2 2 295.387 -0.229 20 0 CBADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+]CC(=O)NC1CC1 ZINC001419534168 906715575 /nfs/dbraw/zinc/71/55/75/906715575.db2.gz FGFZUWIOUYVUMM-LLVKDONJSA-N 2 2 293.371 -0.496 20 0 CBADLP C[C@H](C[NH2+][C@H](C)C(N)=O)N(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001419670554 906759267 /nfs/dbraw/zinc/75/92/67/906759267.db2.gz YBQMCNDIGIYFCM-NXEZZACHSA-N 2 2 281.360 -0.347 20 0 CBADLP C[C@H](C[NH2+][C@H](C)C(N)=O)N(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001419670554 906759285 /nfs/dbraw/zinc/75/92/85/906759285.db2.gz YBQMCNDIGIYFCM-NXEZZACHSA-N 2 2 281.360 -0.347 20 0 CBADLP C[C@H](C[NH2+]CC(N)=O)N(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001419699709 906767751 /nfs/dbraw/zinc/76/77/51/906767751.db2.gz ZAXXJPFEKGHLHS-MNOVXSKESA-N 2 2 293.371 -0.633 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)CCn1cc[nH+]c1 ZINC001419693968 906768890 /nfs/dbraw/zinc/76/88/90/906768890.db2.gz BVHDNUWCVBWZMM-NWDGAFQWSA-N 2 2 295.387 -0.156 20 0 CBADLP C[C@@H](C[NH2+]CC(N)=O)N(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001419699715 906768961 /nfs/dbraw/zinc/76/89/61/906768961.db2.gz ZAXXJPFEKGHLHS-QWRGUYRKSA-N 2 2 293.371 -0.633 20 0 CBADLP Cc1cc(C[NH2+][C@H](C)CNC(=O)[C@H]2C[N@H+](C)CCO2)on1 ZINC001419719752 906781278 /nfs/dbraw/zinc/78/12/78/906781278.db2.gz QGHIJSBCSAVNAY-DGCLKSJQSA-N 2 2 296.371 -0.092 20 0 CBADLP Cc1cc(C[NH2+][C@H](C)CNC(=O)[C@H]2C[N@@H+](C)CCO2)on1 ZINC001419719752 906781291 /nfs/dbraw/zinc/78/12/91/906781291.db2.gz QGHIJSBCSAVNAY-DGCLKSJQSA-N 2 2 296.371 -0.092 20 0 CBADLP C[C@@H]([NH2+]CC(N)=O)[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001419831279 906827255 /nfs/dbraw/zinc/82/72/55/906827255.db2.gz NWVWNHKVAXZYGV-MNOVXSKESA-N 2 2 293.371 -0.346 20 0 CBADLP CCNC(=O)C[NH2+][C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001419890428 906848905 /nfs/dbraw/zinc/84/89/05/906848905.db2.gz BBOCRHOSWICXKC-SNVBAGLBSA-N 2 2 281.360 -0.807 20 0 CBADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+][C@H]1CCN(C)C1=O ZINC001419954743 906876329 /nfs/dbraw/zinc/87/63/29/906876329.db2.gz HZLROHHJYHDXEG-MNOVXSKESA-N 2 2 279.344 -0.792 20 0 CBADLP NC(=O)C[NH2+]C[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001419991836 906890089 /nfs/dbraw/zinc/89/00/89/906890089.db2.gz JVJOZROIRIWPSN-LLVKDONJSA-N 2 2 279.344 -0.803 20 0 CBADLP NC(=O)C[NH2+][C@@H]1CCC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001420007199 906895411 /nfs/dbraw/zinc/89/54/11/906895411.db2.gz AZBLOAVLIGQBFX-VXGBXAGGSA-N 2 2 293.371 -0.225 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N(C)CC[N@@H+](C)[C@H](C)C(N)=O ZINC001420053703 906909641 /nfs/dbraw/zinc/90/96/41/906909641.db2.gz YVNHPGLRLKIELR-SNVBAGLBSA-N 2 2 281.360 -0.544 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N(C)CC[N@H+](C)[C@H](C)C(N)=O ZINC001420053703 906909655 /nfs/dbraw/zinc/90/96/55/906909655.db2.gz YVNHPGLRLKIELR-SNVBAGLBSA-N 2 2 281.360 -0.544 20 0 CBADLP O=C(NC[C@H](O)C[NH2+]CC1CC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001420143813 906968295 /nfs/dbraw/zinc/96/82/95/906968295.db2.gz KLUORLNRKBOJNK-CHWSQXEVSA-N 2 2 292.383 -0.078 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@H](C)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001420150808 906968655 /nfs/dbraw/zinc/96/86/55/906968655.db2.gz AJJVIEWVKYMTRL-ZJUUUORDSA-N 2 2 281.360 -0.429 20 0 CBADLP O=C(CCn1cc[nH+]c1)NC[C@H](O)C[NH2+]C[C@H]1CCOC1 ZINC001420166562 906980449 /nfs/dbraw/zinc/98/04/49/906980449.db2.gz VKTIDSBQNOGFMY-CHWSQXEVSA-N 2 2 296.371 -0.624 20 0 CBADLP COC[C@H](C)[NH2+]C[C@@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001420186728 907002225 /nfs/dbraw/zinc/00/22/25/907002225.db2.gz RGLMBHVKCUEQGX-VHSXEESVSA-N 2 2 270.333 -0.946 20 0 CBADLP CC[C@H]([NH2+]CCN(CC)C(=O)Cc1c[nH+]c[nH]1)C(N)=O ZINC001420232606 907031857 /nfs/dbraw/zinc/03/18/57/907031857.db2.gz GRFYEZZMOXXQHF-NSHDSACASA-N 2 2 281.360 -0.346 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NCC[N@@H+](C)CC(=O)NC(C)C ZINC001420269052 907063144 /nfs/dbraw/zinc/06/31/44/907063144.db2.gz JLNBGPUDBGDIPP-UHFFFAOYSA-N 2 2 295.387 -0.236 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NCC[N@H+](C)CC(=O)NC(C)C ZINC001420269052 907063161 /nfs/dbraw/zinc/06/31/61/907063161.db2.gz JLNBGPUDBGDIPP-UHFFFAOYSA-N 2 2 295.387 -0.236 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+](C)CCNC(=O)CCn1cc[nH+]c1 ZINC001420276439 907067165 /nfs/dbraw/zinc/06/71/65/907067165.db2.gz NXMFXTFLGJQCBI-NSHDSACASA-N 2 2 281.360 -0.415 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)CCn1cc[nH+]c1 ZINC001420276439 907067180 /nfs/dbraw/zinc/06/71/80/907067180.db2.gz NXMFXTFLGJQCBI-NSHDSACASA-N 2 2 281.360 -0.415 20 0 CBADLP C[C@H](C(N)=O)[N@H+](C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001420285423 907073270 /nfs/dbraw/zinc/07/32/70/907073270.db2.gz PEECKTYKPZTVSQ-LLVKDONJSA-N 2 2 284.404 -0.217 20 0 CBADLP C[C@H](C(N)=O)[N@@H+](C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001420285423 907073289 /nfs/dbraw/zinc/07/32/89/907073289.db2.gz PEECKTYKPZTVSQ-LLVKDONJSA-N 2 2 284.404 -0.217 20 0 CBADLP C[C@H](C[NH2+]CC(=O)NC(C)(C)C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001420349851 907115941 /nfs/dbraw/zinc/11/59/41/907115941.db2.gz YTZMABYEFFGXGT-SNVBAGLBSA-N 2 2 295.387 -0.039 20 0 CBADLP CCCNC(=O)C[NH2+]C[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001420364204 907121685 /nfs/dbraw/zinc/12/16/85/907121685.db2.gz AQOHUODMJSQRLM-LLVKDONJSA-N 2 2 295.387 -0.417 20 0 CBADLP C[N@H+](CCNC(=O)Cn1cc[nH+]c1)[C@H]1CCCNC1=O ZINC001420363306 907122324 /nfs/dbraw/zinc/12/23/24/907122324.db2.gz PVIPMULBLPYXFL-NSHDSACASA-N 2 2 279.344 -0.790 20 0 CBADLP C[N@@H+](CCNC(=O)Cn1cc[nH+]c1)[C@H]1CCCNC1=O ZINC001420363306 907122331 /nfs/dbraw/zinc/12/23/31/907122331.db2.gz PVIPMULBLPYXFL-NSHDSACASA-N 2 2 279.344 -0.790 20 0 CBADLP C[C@H](C[NH2+][C@H](C)C(=O)N(C)C)NC(=O)Cc1c[nH+]cn1C ZINC001420364663 907123633 /nfs/dbraw/zinc/12/36/33/907123633.db2.gz HEVQLELWCNKPGX-GHMZBOCLSA-N 2 2 295.387 -0.466 20 0 CBADLP C[C@@H](C[NH2+][C@@H]1CCNC1=O)NC(=O)CCc1[nH+]ccn1C ZINC001420447543 907166096 /nfs/dbraw/zinc/16/60/96/907166096.db2.gz JVWGLDNSJKQXOT-WDEREUQCSA-N 2 2 293.371 -0.665 20 0 CBADLP Cn1nncc1C[N@H+](CCNC(=O)CC[NH+](C)C)C1CC1 ZINC001420680954 907267322 /nfs/dbraw/zinc/26/73/22/907267322.db2.gz HRLNNXCAGZKFQV-UHFFFAOYSA-N 2 2 294.403 -0.153 20 0 CBADLP Cn1nncc1C[N@@H+](CCNC(=O)CC[NH+](C)C)C1CC1 ZINC001420680954 907267345 /nfs/dbraw/zinc/26/73/45/907267345.db2.gz HRLNNXCAGZKFQV-UHFFFAOYSA-N 2 2 294.403 -0.153 20 0 CBADLP COC[C@@H](O)C[N@@H+]1CC[C@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001420895420 907341081 /nfs/dbraw/zinc/34/10/81/907341081.db2.gz CHRXCDOBDISCSA-STQMWFEESA-N 2 2 296.371 -0.611 20 0 CBADLP COC[C@@H](O)C[N@H+]1CC[C@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001420895420 907341098 /nfs/dbraw/zinc/34/10/98/907341098.db2.gz CHRXCDOBDISCSA-STQMWFEESA-N 2 2 296.371 -0.611 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001420911142 907350297 /nfs/dbraw/zinc/35/02/97/907350297.db2.gz JNRNALCVNNOASF-VXGBXAGGSA-N 2 2 284.404 -0.348 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+]1CC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001420911142 907350312 /nfs/dbraw/zinc/35/03/12/907350312.db2.gz JNRNALCVNNOASF-VXGBXAGGSA-N 2 2 284.404 -0.348 20 0 CBADLP CNC(=O)[C@@H](C)[NH+]1CC[C@@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001420911142 907350329 /nfs/dbraw/zinc/35/03/29/907350329.db2.gz JNRNALCVNNOASF-VXGBXAGGSA-N 2 2 284.404 -0.348 20 0 CBADLP CNC(=O)[C@@H](C)[NH+]1CC[C@@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001420911142 907350343 /nfs/dbraw/zinc/35/03/43/907350343.db2.gz JNRNALCVNNOASF-VXGBXAGGSA-N 2 2 284.404 -0.348 20 0 CBADLP O=C(CCn1cc[nH+]c1)NCC1([NH2+][C@H]2CCNC2=O)CC1 ZINC001420971213 907377722 /nfs/dbraw/zinc/37/77/22/907377722.db2.gz AWUFPSNITQZSDO-NSHDSACASA-N 2 2 291.355 -0.600 20 0 CBADLP COC[C@H](O)C[NH2+]C[C@@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001421113443 907428928 /nfs/dbraw/zinc/42/89/28/907428928.db2.gz DHBBRRRHNPKDMJ-NWDGAFQWSA-N 2 2 296.371 -0.460 20 0 CBADLP CN1CC[NH+](CC2CN(c3nccnc3C[NH3+])C2)CC1 ZINC001421164854 907448563 /nfs/dbraw/zinc/44/85/63/907448563.db2.gz CYFUDTLZHMWJRS-UHFFFAOYSA-N 2 2 276.388 -0.381 20 0 CBADLP C[NH+]1CCN(CC2CN(c3nccnc3C[NH3+])C2)CC1 ZINC001421164854 907448580 /nfs/dbraw/zinc/44/85/80/907448580.db2.gz CYFUDTLZHMWJRS-UHFFFAOYSA-N 2 2 276.388 -0.381 20 0 CBADLP CNC(=O)C[NH+]1CC(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001421182813 907451844 /nfs/dbraw/zinc/45/18/44/907451844.db2.gz UAEBNEOPIBGORX-LLVKDONJSA-N 2 2 282.388 -0.878 20 0 CBADLP CNC(=O)C[NH+]1CC(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001421182813 907451849 /nfs/dbraw/zinc/45/18/49/907451849.db2.gz UAEBNEOPIBGORX-LLVKDONJSA-N 2 2 282.388 -0.878 20 0 CBADLP CCC[N@H+](C)CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2[C@@H]1CCNC1=O ZINC001421209417 907463233 /nfs/dbraw/zinc/46/32/33/907463233.db2.gz BYEGTFMWZOURFF-RWMBFGLXSA-N 2 2 294.399 -0.498 20 0 CBADLP CCC[N@@H+](C)CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2[C@@H]1CCNC1=O ZINC001421209417 907463245 /nfs/dbraw/zinc/46/32/45/907463245.db2.gz BYEGTFMWZOURFF-RWMBFGLXSA-N 2 2 294.399 -0.498 20 0 CBADLP CCC[NH+](C)CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H]1CCNC1=O ZINC001421209417 907463262 /nfs/dbraw/zinc/46/32/62/907463262.db2.gz BYEGTFMWZOURFF-RWMBFGLXSA-N 2 2 294.399 -0.498 20 0 CBADLP CCC[NH+](C)CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCNC1=O ZINC001421209417 907463278 /nfs/dbraw/zinc/46/32/78/907463278.db2.gz BYEGTFMWZOURFF-RWMBFGLXSA-N 2 2 294.399 -0.498 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)C ZINC001421220222 907468947 /nfs/dbraw/zinc/46/89/47/907468947.db2.gz UZWBKDNFELULEJ-SDDRHHMPSA-N 2 2 282.388 -0.513 20 0 CBADLP CC[C@H](C(N)=O)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)C ZINC001421220222 907468953 /nfs/dbraw/zinc/46/89/53/907468953.db2.gz UZWBKDNFELULEJ-SDDRHHMPSA-N 2 2 282.388 -0.513 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)N1CCO[C@@H](C[NH2+]CCO)C1 ZINC001502058496 921329028 /nfs/dbraw/zinc/32/90/28/921329028.db2.gz STUHWOUXPFESHO-LBPRGKRZSA-N 2 2 282.344 -0.848 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)N1CCO[C@@H](C[NH2+]CCO)C1 ZINC001502058496 921329032 /nfs/dbraw/zinc/32/90/32/921329032.db2.gz STUHWOUXPFESHO-LBPRGKRZSA-N 2 2 282.344 -0.848 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)NCC2(O)C[NH+](CCCO)C2)CC[N@@H+]1C ZINC001421441599 907546171 /nfs/dbraw/zinc/54/61/71/907546171.db2.gz HIIMJGRSBFIMNB-QWHCGFSZSA-N 2 2 299.415 -0.738 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)NCC2(O)C[NH+](CCCO)C2)CC[N@H+]1C ZINC001421441599 907546184 /nfs/dbraw/zinc/54/61/84/907546184.db2.gz HIIMJGRSBFIMNB-QWHCGFSZSA-N 2 2 299.415 -0.738 20 0 CBADLP C[C@@H](O)C[NH+]1CC(O)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001421437728 907546496 /nfs/dbraw/zinc/54/64/96/907546496.db2.gz DBVZQOKJLKOVCQ-LLVKDONJSA-N 2 2 285.388 -0.986 20 0 CBADLP C[C@@H]([NH2+]CC(N)=O)[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001421531446 907575681 /nfs/dbraw/zinc/57/56/81/907575681.db2.gz PEFPSXDUSRKJAQ-MNOVXSKESA-N 2 2 293.371 -0.346 20 0 CBADLP C[C@@H]([NH2+]CC(N)=O)[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001421531446 907575691 /nfs/dbraw/zinc/57/56/91/907575691.db2.gz PEFPSXDUSRKJAQ-MNOVXSKESA-N 2 2 293.371 -0.346 20 0 CBADLP COCCC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001502082798 921336791 /nfs/dbraw/zinc/33/67/91/921336791.db2.gz MHMZYSYGBUAEDI-GFCCVEGCSA-N 2 2 296.371 -0.194 20 0 CBADLP COCC[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001421806231 907647679 /nfs/dbraw/zinc/64/76/79/907647679.db2.gz CFGIWUZTLDECGO-KGLIPLIRSA-N 2 2 299.415 -0.208 20 0 CBADLP COCC[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001421806231 907647687 /nfs/dbraw/zinc/64/76/87/907647687.db2.gz CFGIWUZTLDECGO-KGLIPLIRSA-N 2 2 299.415 -0.208 20 0 CBADLP COCC[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001421806231 907647697 /nfs/dbraw/zinc/64/76/97/907647697.db2.gz CFGIWUZTLDECGO-KGLIPLIRSA-N 2 2 299.415 -0.208 20 0 CBADLP COCC[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001421806231 907647701 /nfs/dbraw/zinc/64/77/01/907647701.db2.gz CFGIWUZTLDECGO-KGLIPLIRSA-N 2 2 299.415 -0.208 20 0 CBADLP COCC[NH+]1CC2(C1)C[C@@H](NC(=O)CCC[NH+](C)C)CO2 ZINC001421928838 907682710 /nfs/dbraw/zinc/68/27/10/907682710.db2.gz KNZPAFMYNXVQIH-CYBMUJFWSA-N 2 2 299.415 -0.066 20 0 CBADLP CC[N@H+](C)CCC(=O)N[C@@H]1COC2(C[NH+](CCOC)C2)C1 ZINC001421942131 907686368 /nfs/dbraw/zinc/68/63/68/907686368.db2.gz OLUXDUNRNBUHTB-ZDUSSCGKSA-N 2 2 299.415 -0.066 20 0 CBADLP CC[N@@H+](C)CCC(=O)N[C@@H]1COC2(C[NH+](CCOC)C2)C1 ZINC001421942131 907686376 /nfs/dbraw/zinc/68/63/76/907686376.db2.gz OLUXDUNRNBUHTB-ZDUSSCGKSA-N 2 2 299.415 -0.066 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1COC2(C[NH+](CCO)C2)C1 ZINC001421942734 907686827 /nfs/dbraw/zinc/68/68/27/907686827.db2.gz POJQCKWBWAZSBU-LBPRGKRZSA-N 2 2 285.388 -0.722 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1COC2(C[NH+](CCO)C2)C1 ZINC001421942734 907686837 /nfs/dbraw/zinc/68/68/37/907686837.db2.gz POJQCKWBWAZSBU-LBPRGKRZSA-N 2 2 285.388 -0.722 20 0 CBADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001502205665 921346107 /nfs/dbraw/zinc/34/61/07/921346107.db2.gz VRIYJKKCPSDCLH-VXGBXAGGSA-N 2 2 293.371 -0.544 20 0 CBADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001502205665 921346117 /nfs/dbraw/zinc/34/61/17/921346117.db2.gz VRIYJKKCPSDCLH-VXGBXAGGSA-N 2 2 293.371 -0.544 20 0 CBADLP CC(C)[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@H](C)C(N)=O ZINC001422141394 907724380 /nfs/dbraw/zinc/72/43/80/907724380.db2.gz WHNRSAHSZFPBIY-ZJUUUORDSA-N 2 2 281.360 -0.444 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](CNS(C)(=O)=O)C1 ZINC001422217717 907754152 /nfs/dbraw/zinc/75/41/52/907754152.db2.gz ZCTUGPYEBHVVMY-VXGBXAGGSA-N 2 2 293.433 -0.830 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](CNS(C)(=O)=O)C1 ZINC001422217717 907754162 /nfs/dbraw/zinc/75/41/62/907754162.db2.gz ZCTUGPYEBHVVMY-VXGBXAGGSA-N 2 2 293.433 -0.830 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](CNS(C)(=O)=O)C1 ZINC001422217717 907754168 /nfs/dbraw/zinc/75/41/68/907754168.db2.gz ZCTUGPYEBHVVMY-VXGBXAGGSA-N 2 2 293.433 -0.830 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](CNS(C)(=O)=O)C1 ZINC001422217717 907754178 /nfs/dbraw/zinc/75/41/78/907754178.db2.gz ZCTUGPYEBHVVMY-VXGBXAGGSA-N 2 2 293.433 -0.830 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H](O)C[NH2+]C[C@@H]1CCOC1 ZINC001422372168 907831730 /nfs/dbraw/zinc/83/17/30/907831730.db2.gz PSIORDHRNHRBDM-CMPLNLGQSA-N 2 2 282.344 -0.945 20 0 CBADLP C[C@H](CC[NH2+][C@H](C)C(N)=O)NC(=O)CCc1c[nH]c[nH+]1 ZINC001422420673 907847912 /nfs/dbraw/zinc/84/79/12/907847912.db2.gz QWDQMTKJTLYWSJ-NXEZZACHSA-N 2 2 281.360 -0.300 20 0 CBADLP C[C@H](CC[NH2+][C@H](C)C(N)=O)NC(=O)CCc1c[nH+]c[nH]1 ZINC001422420673 907847930 /nfs/dbraw/zinc/84/79/30/907847930.db2.gz QWDQMTKJTLYWSJ-NXEZZACHSA-N 2 2 281.360 -0.300 20 0 CBADLP CN(CC(C)(C)C[NH2+]CC(N)=O)C(=O)Cc1[nH]cc[nH+]1 ZINC001422461162 907868470 /nfs/dbraw/zinc/86/84/70/907868470.db2.gz DKHMPJVAGABRME-UHFFFAOYSA-N 2 2 281.360 -0.488 20 0 CBADLP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)C[NH2+]CC(N)=O)ccn12 ZINC001422645875 907961030 /nfs/dbraw/zinc/96/10/30/907961030.db2.gz JLIJQHZTSDSQKY-VIFPVBQESA-N 2 2 289.339 -0.164 20 0 CBADLP CC(C)NC(=O)C[NH2+]C[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001422711634 907981236 /nfs/dbraw/zinc/98/12/36/907981236.db2.gz CIEAILJKMQQVLH-JTQLQIEISA-N 2 2 281.360 -0.429 20 0 CBADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(N)=O)CC1(C)C ZINC001422800175 908017190 /nfs/dbraw/zinc/01/71/90/908017190.db2.gz GGSAWNGKKPNAKX-LLVKDONJSA-N 2 2 284.404 -0.360 20 0 CBADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(N)=O)CC1(C)C ZINC001422800175 908017204 /nfs/dbraw/zinc/01/72/04/908017204.db2.gz GGSAWNGKKPNAKX-LLVKDONJSA-N 2 2 284.404 -0.360 20 0 CBADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(N)=O)CC1(C)C ZINC001422800175 908017218 /nfs/dbraw/zinc/01/72/18/908017218.db2.gz GGSAWNGKKPNAKX-LLVKDONJSA-N 2 2 284.404 -0.360 20 0 CBADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(N)=O)CC1(C)C ZINC001422800175 908017235 /nfs/dbraw/zinc/01/72/35/908017235.db2.gz GGSAWNGKKPNAKX-LLVKDONJSA-N 2 2 284.404 -0.360 20 0 CBADLP CC[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1)C(N)=O ZINC001422903124 908053372 /nfs/dbraw/zinc/05/33/72/908053372.db2.gz AKJUPPNVSORBKT-CKYFFXLPSA-N 2 2 293.371 -0.300 20 0 CBADLP CNC(=O)C[NH2+]C[C@H](C1CC1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001422989814 908072078 /nfs/dbraw/zinc/07/20/78/908072078.db2.gz DTHKGMVOHQTFCP-GFCCVEGCSA-N 2 2 293.371 -0.544 20 0 CBADLP CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001423077340 908102717 /nfs/dbraw/zinc/10/27/17/908102717.db2.gz ONMLMEHALUMTCZ-LLVKDONJSA-N 2 2 295.387 -0.085 20 0 CBADLP CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001423077340 908102729 /nfs/dbraw/zinc/10/27/29/908102729.db2.gz ONMLMEHALUMTCZ-LLVKDONJSA-N 2 2 295.387 -0.085 20 0 CBADLP C[C@@H](CN(C)C(=O)Cc1[nH]cc[nH+]1)[NH2+][C@@H](C)C(=O)N(C)C ZINC001423128301 908115223 /nfs/dbraw/zinc/11/52/23/908115223.db2.gz BJWSOGQRIMLEJO-QWRGUYRKSA-N 2 2 295.387 -0.135 20 0 CBADLP C[C@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)[NH2+][C@@H]1CCCNC1=O ZINC001423143505 908117115 /nfs/dbraw/zinc/11/71/15/908117115.db2.gz VXWPPNVEWKSOHK-ZYHUDNBSSA-N 2 2 293.371 -0.333 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001423184658 908138416 /nfs/dbraw/zinc/13/84/16/908138416.db2.gz RERZFWZXHFNITP-RYUDHWBXSA-N 2 2 284.404 -0.219 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001423184658 908138426 /nfs/dbraw/zinc/13/84/26/908138426.db2.gz RERZFWZXHFNITP-RYUDHWBXSA-N 2 2 284.404 -0.219 20 0 CBADLP CC[C@@H](C(N)=O)[NH+]1CC[C@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001423184658 908138433 /nfs/dbraw/zinc/13/84/33/908138433.db2.gz RERZFWZXHFNITP-RYUDHWBXSA-N 2 2 284.404 -0.219 20 0 CBADLP CC[C@@H](C(N)=O)[NH+]1CC[C@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001423184658 908138441 /nfs/dbraw/zinc/13/84/41/908138441.db2.gz RERZFWZXHFNITP-RYUDHWBXSA-N 2 2 284.404 -0.219 20 0 CBADLP C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1[NH2+]CCCO ZINC001502747429 921386733 /nfs/dbraw/zinc/38/67/33/921386733.db2.gz CFHGBTIJEAESLL-QWRGUYRKSA-N 2 2 266.345 -0.229 20 0 CBADLP CNC(=O)C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@@H]1C ZINC001423331714 908205534 /nfs/dbraw/zinc/20/55/34/908205534.db2.gz RVVRSDJWGIZAOI-MNOVXSKESA-N 2 2 279.344 -0.792 20 0 CBADLP CN(C[C@@H](O)C[N@H+](C)CCF)C(=O)Cc1c[nH+]c[nH]1 ZINC001423530095 908273475 /nfs/dbraw/zinc/27/34/75/908273475.db2.gz ACWOJPXGICZRGO-NSHDSACASA-N 2 2 272.324 -0.327 20 0 CBADLP CN(C[C@@H](O)C[N@@H+](C)CCF)C(=O)Cc1c[nH+]c[nH]1 ZINC001423530095 908273487 /nfs/dbraw/zinc/27/34/87/908273487.db2.gz ACWOJPXGICZRGO-NSHDSACASA-N 2 2 272.324 -0.327 20 0 CBADLP CN(C[C@@H](O)C[N@H+](C)CCF)C(=O)Cn1cc[nH+]c1 ZINC001423543643 908273563 /nfs/dbraw/zinc/27/35/63/908273563.db2.gz MHZZAUMTWZFROM-NSHDSACASA-N 2 2 272.324 -0.396 20 0 CBADLP CN(C[C@@H](O)C[N@@H+](C)CCF)C(=O)Cn1cc[nH+]c1 ZINC001423543643 908273570 /nfs/dbraw/zinc/27/35/70/908273570.db2.gz MHZZAUMTWZFROM-NSHDSACASA-N 2 2 272.324 -0.396 20 0 CBADLP Cn1cc(C[N@@H+]2CC[C@](C)(NC(=O)CC[NH+](C)C)C2)nn1 ZINC001423588155 908288649 /nfs/dbraw/zinc/28/86/49/908288649.db2.gz RKCLVZXUGVNXSK-AWEZNQCLSA-N 2 2 294.403 -0.153 20 0 CBADLP Cn1cc(C[N@H+]2CC[C@](C)(NC(=O)CC[NH+](C)C)C2)nn1 ZINC001423588155 908288660 /nfs/dbraw/zinc/28/86/60/908288660.db2.gz RKCLVZXUGVNXSK-AWEZNQCLSA-N 2 2 294.403 -0.153 20 0 CBADLP C[C@@H]([NH2+]C[C@H](NC(=O)Cc1[nH]cc[nH+]1)C(C)(C)C)C(N)=O ZINC001423611568 908292218 /nfs/dbraw/zinc/29/22/18/908292218.db2.gz DJHFPKXHQFAYML-ZJUUUORDSA-N 2 2 295.387 -0.054 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@](C)(C[NH2+]CC(N)=O)C1 ZINC001423663294 908299190 /nfs/dbraw/zinc/29/91/90/908299190.db2.gz WKVBEYSCNMTCAD-AWEZNQCLSA-N 2 2 293.371 -0.724 20 0 CBADLP C[C@H](F)CC[NH+]1CC(O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001423905150 908369056 /nfs/dbraw/zinc/36/90/56/908369056.db2.gz JUTDKNMEMXYEJA-LBPRGKRZSA-N 2 2 299.390 -0.007 20 0 CBADLP CCC[N@H+](C)CC(=O)NCC1(O)C[NH+](C[C@H](C)OC)C1 ZINC001423920161 908371872 /nfs/dbraw/zinc/37/18/72/908371872.db2.gz SOHKXMCWVPDZED-LBPRGKRZSA-N 2 2 287.404 -0.474 20 0 CBADLP CCC[N@@H+](C)CC(=O)NCC1(O)C[NH+](C[C@H](C)OC)C1 ZINC001423920161 908371884 /nfs/dbraw/zinc/37/18/84/908371884.db2.gz SOHKXMCWVPDZED-LBPRGKRZSA-N 2 2 287.404 -0.474 20 0 CBADLP C[C@@H]([NH2+]CC[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1)C(N)=O ZINC001424091951 908406177 /nfs/dbraw/zinc/40/61/77/908406177.db2.gz VNCHDAWDNHKGLJ-GHMZBOCLSA-N 2 2 293.371 -0.346 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CCO[C@@H](C[NH2+]C[C@H](C)O)C1 ZINC001424233641 908429377 /nfs/dbraw/zinc/42/93/77/908429377.db2.gz ADEOCRDIBVBWCU-JQWIXIFHSA-N 2 2 296.371 -0.542 20 0 CBADLP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC001424478860 908463578 /nfs/dbraw/zinc/46/35/78/908463578.db2.gz GBDUWNPXAKCQLY-NWDGAFQWSA-N 2 2 293.371 -0.544 20 0 CBADLP CC[N@H+](C)CCC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1nnn(C)n1 ZINC001424829836 908513641 /nfs/dbraw/zinc/51/36/41/908513641.db2.gz ILDJUUKEEPUEQK-GHMZBOCLSA-N 2 2 297.407 -0.465 20 0 CBADLP CC[N@@H+](C)CCC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1nnn(C)n1 ZINC001424829836 908513649 /nfs/dbraw/zinc/51/36/49/908513649.db2.gz ILDJUUKEEPUEQK-GHMZBOCLSA-N 2 2 297.407 -0.465 20 0 CBADLP C[C@H](CNC(=O)CCn1cc[nH+]c1)[N@H+](C)[C@@H]1CCNC1=O ZINC001424982667 908545062 /nfs/dbraw/zinc/54/50/62/908545062.db2.gz MDDHVQITKUZJNQ-VXGBXAGGSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@H](CNC(=O)CCn1cc[nH+]c1)[N@@H+](C)[C@@H]1CCNC1=O ZINC001424982667 908545072 /nfs/dbraw/zinc/54/50/72/908545072.db2.gz MDDHVQITKUZJNQ-VXGBXAGGSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)[N@H+](C)[C@H]1CCNC1=O ZINC001425063627 908564751 /nfs/dbraw/zinc/56/47/51/908564751.db2.gz XZNVWVVXPWVUMD-JQWIXIFHSA-N 2 2 293.371 -0.712 20 0 CBADLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)[N@@H+](C)[C@H]1CCNC1=O ZINC001425063627 908564763 /nfs/dbraw/zinc/56/47/63/908564763.db2.gz XZNVWVVXPWVUMD-JQWIXIFHSA-N 2 2 293.371 -0.712 20 0 CBADLP COC[C@@H](O)C[N@H+](C)[C@@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001425060649 908565270 /nfs/dbraw/zinc/56/52/70/908565270.db2.gz UAGFNFHGNAAGIF-AAEUAGOBSA-N 2 2 298.387 -0.594 20 0 CBADLP COC[C@@H](O)C[N@@H+](C)[C@@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001425060649 908565281 /nfs/dbraw/zinc/56/52/81/908565281.db2.gz UAGFNFHGNAAGIF-AAEUAGOBSA-N 2 2 298.387 -0.594 20 0 CBADLP COC[C@@H](O)C[N@H+](C)[C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001425060652 908565357 /nfs/dbraw/zinc/56/53/57/908565357.db2.gz UAGFNFHGNAAGIF-YPMHNXCESA-N 2 2 298.387 -0.594 20 0 CBADLP COC[C@@H](O)C[N@@H+](C)[C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001425060652 908565365 /nfs/dbraw/zinc/56/53/65/908565365.db2.gz UAGFNFHGNAAGIF-YPMHNXCESA-N 2 2 298.387 -0.594 20 0 CBADLP C[C@@H](O)C[NH+]1CC(CCO)(NC(=O)CCC[NH+](C)C)C1 ZINC001425121383 908575134 /nfs/dbraw/zinc/57/51/34/908575134.db2.gz PWEKNUHGEYSTCI-GFCCVEGCSA-N 2 2 287.404 -0.738 20 0 CBADLP CCC[N@H+](C)CC(=O)NC1(CCO)C[NH+](C[C@@H](C)O)C1 ZINC001425136143 908581344 /nfs/dbraw/zinc/58/13/44/908581344.db2.gz XRRXWRBQBZXDMW-GFCCVEGCSA-N 2 2 287.404 -0.738 20 0 CBADLP CCC[N@@H+](C)CC(=O)NC1(CCO)C[NH+](C[C@@H](C)O)C1 ZINC001425136143 908581354 /nfs/dbraw/zinc/58/13/54/908581354.db2.gz XRRXWRBQBZXDMW-GFCCVEGCSA-N 2 2 287.404 -0.738 20 0 CBADLP C[NH+](C)CCC(=O)N[C@H]1C[N@H+](CC(N)=O)CC1(C)C ZINC001425303220 908611940 /nfs/dbraw/zinc/61/19/40/908611940.db2.gz HLYOHPLENPIHDJ-JTQLQIEISA-N 2 2 270.377 -0.750 20 0 CBADLP C[NH+](C)CCC(=O)N[C@H]1C[N@@H+](CC(N)=O)CC1(C)C ZINC001425303220 908611947 /nfs/dbraw/zinc/61/19/47/908611947.db2.gz HLYOHPLENPIHDJ-JTQLQIEISA-N 2 2 270.377 -0.750 20 0 CBADLP C[C@H]([NH2+]C[C@@H](C1CC1)N(C)C(=O)Cn1cc[nH+]c1)C(N)=O ZINC001425509942 908664533 /nfs/dbraw/zinc/66/45/33/908664533.db2.gz NQEKDWODOHXTOR-JQWIXIFHSA-N 2 2 293.371 -0.417 20 0 CBADLP C[C@@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+]CC(=O)N(C)C ZINC001425689771 908692774 /nfs/dbraw/zinc/69/27/74/908692774.db2.gz CQSKTQZMEOAZDU-NSHDSACASA-N 2 2 281.360 -0.592 20 0 CBADLP C[C@@H](CC(=O)NC[C@@H](CO)[NH2+]CCF)n1cc[nH+]c1 ZINC001425823072 908754825 /nfs/dbraw/zinc/75/48/25/908754825.db2.gz MXIMJRDUNNJQDL-QWRGUYRKSA-N 2 2 272.324 -0.130 20 0 CBADLP CCNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001425918280 908781634 /nfs/dbraw/zinc/78/16/34/908781634.db2.gz ZUFMLLSOIFXZDX-GHMZBOCLSA-N 2 2 293.371 -0.333 20 0 CBADLP NC(=O)C[NH2+]C[C@H]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001425943776 908784103 /nfs/dbraw/zinc/78/41/03/908784103.db2.gz BXGNQMNETGMSLP-QWRGUYRKSA-N 2 2 293.371 -0.298 20 0 CBADLP NC(=O)C[NH2+]C[C@H]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001425943776 908784112 /nfs/dbraw/zinc/78/41/12/908784112.db2.gz BXGNQMNETGMSLP-QWRGUYRKSA-N 2 2 293.371 -0.298 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001425973965 908790966 /nfs/dbraw/zinc/79/09/66/908790966.db2.gz USXLAYVYSMQCJE-GHMZBOCLSA-N 2 2 293.371 -0.380 20 0 CBADLP COC[C@H](C)[NH2+]C[C@H](O)CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001426054989 908812997 /nfs/dbraw/zinc/81/29/97/908812997.db2.gz ZXHPYBQFAWEVSY-JQWIXIFHSA-N 2 2 298.387 -0.296 20 0 CBADLP COC[C@@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001426054994 908813907 /nfs/dbraw/zinc/81/39/07/908813907.db2.gz ZXHPYBQFAWEVSY-ZYHUDNBSSA-N 2 2 298.387 -0.296 20 0 CBADLP CN(CCNC(=O)Cc1c[nH]c[nH+]1)C(=O)CCC[NH+](C)C ZINC001429515720 909252809 /nfs/dbraw/zinc/25/28/09/909252809.db2.gz AKQRBDCJHGMUHB-UHFFFAOYSA-N 2 2 295.387 -0.131 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)NC(=O)CC[NH+](C)C ZINC001430698822 909380712 /nfs/dbraw/zinc/38/07/12/909380712.db2.gz SVVULVUGYSXEPN-JTQLQIEISA-N 2 2 295.387 -0.167 20 0 CBADLP CCC[N@H+](C)CC(=O)NC[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001430706005 909382166 /nfs/dbraw/zinc/38/21/66/909382166.db2.gz RFCIFJZIOPGRSH-LLVKDONJSA-N 2 2 295.387 -0.085 20 0 CBADLP CCC[N@@H+](C)CC(=O)NC[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001430706005 909382182 /nfs/dbraw/zinc/38/21/82/909382182.db2.gz RFCIFJZIOPGRSH-LLVKDONJSA-N 2 2 295.387 -0.085 20 0 CBADLP C[C@H](CCNC(=O)CC[NH+](C)C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001431088053 909415706 /nfs/dbraw/zinc/41/57/06/909415706.db2.gz SKFGVNMAHFNMOJ-LLVKDONJSA-N 2 2 295.387 -0.085 20 0 CBADLP CN(CCNC(=O)Cc1[nH]cc[nH+]1)C(=O)CC[NH+](C)C ZINC001431478282 909477256 /nfs/dbraw/zinc/47/72/56/909477256.db2.gz SLJNOQZUZZCLRN-UHFFFAOYSA-N 2 2 281.360 -0.522 20 0 CBADLP CC[NH+](CC)CC(=O)N(C)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001431565748 909504218 /nfs/dbraw/zinc/50/42/18/909504218.db2.gz XDQQQFBMFILJAO-UHFFFAOYSA-N 2 2 295.387 -0.131 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CC(NC(=O)CC[NH+](C)C)C1 ZINC001432332107 909611704 /nfs/dbraw/zinc/61/17/04/909611704.db2.gz WHQUEJIJBZQZFF-UHFFFAOYSA-N 2 2 293.371 -0.759 20 0 CBADLP CC[C@H](C(N)=O)[N@H+](C)[C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001506069823 921533377 /nfs/dbraw/zinc/53/33/77/921533377.db2.gz WQQDBXVVUQSRLW-WDEREUQCSA-N 2 2 281.360 -0.417 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+](C)[C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001506069823 921533388 /nfs/dbraw/zinc/53/33/88/921533388.db2.gz WQQDBXVVUQSRLW-WDEREUQCSA-N 2 2 281.360 -0.417 20 0 CBADLP CC[N@@H+]1CC[C@@H]1C(=O)N1CC(C[NH+]2CCN(C)CC2)C1 ZINC001434009726 909952370 /nfs/dbraw/zinc/95/23/70/909952370.db2.gz HRFYPDZWALNDBZ-CQSZACIVSA-N 2 2 280.416 -0.214 20 0 CBADLP CC[N@H+]1CC[C@@H]1C(=O)N1CC(C[NH+]2CCN(C)CC2)C1 ZINC001434009726 909952385 /nfs/dbraw/zinc/95/23/85/909952385.db2.gz HRFYPDZWALNDBZ-CQSZACIVSA-N 2 2 280.416 -0.214 20 0 CBADLP CC[N@@H+]1CC[C@@H]1C(=O)N1CC(CN2CC[NH+](C)CC2)C1 ZINC001434009726 909952400 /nfs/dbraw/zinc/95/24/00/909952400.db2.gz HRFYPDZWALNDBZ-CQSZACIVSA-N 2 2 280.416 -0.214 20 0 CBADLP CC[N@H+]1CC[C@@H]1C(=O)N1CC(CN2CC[NH+](C)CC2)C1 ZINC001434009726 909952415 /nfs/dbraw/zinc/95/24/15/909952415.db2.gz HRFYPDZWALNDBZ-CQSZACIVSA-N 2 2 280.416 -0.214 20 0 CBADLP COC[C@](C)(CC(=O)OC)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC001434461688 910200132 /nfs/dbraw/zinc/20/01/32/910200132.db2.gz LOJYQTYCNPNPGU-OCCSQVGLSA-N 2 2 288.388 -0.001 20 0 CBADLP COC[C@](C)(CC(=O)OC)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC001434461688 910200147 /nfs/dbraw/zinc/20/01/47/910200147.db2.gz LOJYQTYCNPNPGU-OCCSQVGLSA-N 2 2 288.388 -0.001 20 0 CBADLP COC[C@@](C)(CC(=O)OC)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC001434461686 910201666 /nfs/dbraw/zinc/20/16/66/910201666.db2.gz LOJYQTYCNPNPGU-GXTWGEPZSA-N 2 2 288.388 -0.001 20 0 CBADLP COC[C@@](C)(CC(=O)OC)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC001434461686 910201682 /nfs/dbraw/zinc/20/16/82/910201682.db2.gz LOJYQTYCNPNPGU-GXTWGEPZSA-N 2 2 288.388 -0.001 20 0 CBADLP O[C@@H]1COCC[C@H]1[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC001434536492 910248155 /nfs/dbraw/zinc/24/81/55/910248155.db2.gz QNYSTPJVVLIXJM-BFHYXJOUSA-N 2 2 270.373 -0.021 20 0 CBADLP CCC[N@H+](C)CC(=O)N(C)C[C@@H]1CC[NH+]1CC(=O)N(C)C ZINC001436332912 910430801 /nfs/dbraw/zinc/43/08/01/910430801.db2.gz WLSZUUMRCLQEDJ-ZDUSSCGKSA-N 2 2 298.431 -0.051 20 0 CBADLP CCC[N@@H+](C)CC(=O)N(C)C[C@@H]1CC[NH+]1CC(=O)N(C)C ZINC001436332912 910430814 /nfs/dbraw/zinc/43/08/14/910430814.db2.gz WLSZUUMRCLQEDJ-ZDUSSCGKSA-N 2 2 298.431 -0.051 20 0 CBADLP CCC[NH+](C)CC(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)N(C)C ZINC001436332912 910430832 /nfs/dbraw/zinc/43/08/32/910430832.db2.gz WLSZUUMRCLQEDJ-ZDUSSCGKSA-N 2 2 298.431 -0.051 20 0 CBADLP CCC[NH+](C)CC(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)N(C)C ZINC001436332912 910430845 /nfs/dbraw/zinc/43/08/45/910430845.db2.gz WLSZUUMRCLQEDJ-ZDUSSCGKSA-N 2 2 298.431 -0.051 20 0 CBADLP CCC[N@H+](C)CC(=O)N(C)C[C@@H]1CC[NH+]1CC(=O)NC ZINC001436331637 910431050 /nfs/dbraw/zinc/43/10/50/910431050.db2.gz SMXFZUKAYDOOEE-LBPRGKRZSA-N 2 2 284.404 -0.393 20 0 CBADLP CCC[N@@H+](C)CC(=O)N(C)C[C@@H]1CC[NH+]1CC(=O)NC ZINC001436331637 910431057 /nfs/dbraw/zinc/43/10/57/910431057.db2.gz SMXFZUKAYDOOEE-LBPRGKRZSA-N 2 2 284.404 -0.393 20 0 CBADLP CCC[NH+](C)CC(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)NC ZINC001436331637 910431067 /nfs/dbraw/zinc/43/10/67/910431067.db2.gz SMXFZUKAYDOOEE-LBPRGKRZSA-N 2 2 284.404 -0.393 20 0 CBADLP CCC[NH+](C)CC(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)NC ZINC001436331637 910431073 /nfs/dbraw/zinc/43/10/73/910431073.db2.gz SMXFZUKAYDOOEE-LBPRGKRZSA-N 2 2 284.404 -0.393 20 0 CBADLP C[N@@H+](CC(N)=O)C[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001436847827 910493560 /nfs/dbraw/zinc/49/35/60/910493560.db2.gz XLDYRGBEJDKQQD-NSHDSACASA-N 2 2 293.371 -0.392 20 0 CBADLP C[N@H+](CC(N)=O)C[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001436847827 910493566 /nfs/dbraw/zinc/49/35/66/910493566.db2.gz XLDYRGBEJDKQQD-NSHDSACASA-N 2 2 293.371 -0.392 20 0 CBADLP C[C@H](CC(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1)n1cc[nH+]c1 ZINC001436970876 910523364 /nfs/dbraw/zinc/52/33/64/910523364.db2.gz XRDZGYKELFVTRM-MXWKQRLJSA-N 2 2 279.344 -0.444 20 0 CBADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@@H]1CCN(C)C1=O ZINC001437219264 910588364 /nfs/dbraw/zinc/58/83/64/910588364.db2.gz IGUARCIHJRJDLH-NXEZZACHSA-N 2 2 279.344 -0.723 20 0 CBADLP C[C@H](CNC(=O)CC[NH+]1CCOCC1)[NH2+]Cc1ccon1 ZINC001437225608 910593447 /nfs/dbraw/zinc/59/34/47/910593447.db2.gz JKLVQSGURCEAHA-GFCCVEGCSA-N 2 2 296.371 -0.009 20 0 CBADLP CN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001437292365 910605848 /nfs/dbraw/zinc/60/58/48/910605848.db2.gz XQTPHFLNDPYFPC-NSHDSACASA-N 2 2 279.344 -0.838 20 0 CBADLP CC[C@@H](C(=O)NCC[N@H+](C)CC(=O)N(C)C1CC1)[NH+](C)C ZINC001437515655 910673935 /nfs/dbraw/zinc/67/39/35/910673935.db2.gz CEKGMUMTGNMDDO-ZDUSSCGKSA-N 2 2 298.431 -0.005 20 0 CBADLP CC[C@@H](C(=O)NCC[N@@H+](C)CC(=O)N(C)C1CC1)[NH+](C)C ZINC001437515655 910673941 /nfs/dbraw/zinc/67/39/41/910673941.db2.gz CEKGMUMTGNMDDO-ZDUSSCGKSA-N 2 2 298.431 -0.005 20 0 CBADLP C[C@@H]1CC[N@H+](CC(=O)NCC[NH+](C)CC(=O)NC2CC2)C1 ZINC001437518473 910673979 /nfs/dbraw/zinc/67/39/79/910673979.db2.gz WLABTECFMSPUNO-GFCCVEGCSA-N 2 2 296.415 -0.345 20 0 CBADLP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH+](C)CC(=O)NC2CC2)C1 ZINC001437518473 910673986 /nfs/dbraw/zinc/67/39/86/910673986.db2.gz WLABTECFMSPUNO-GFCCVEGCSA-N 2 2 296.415 -0.345 20 0 CBADLP C[C@@H]1CC[NH+](CC(=O)NCC[N@H+](C)CC(=O)NC2CC2)C1 ZINC001437518473 910673995 /nfs/dbraw/zinc/67/39/95/910673995.db2.gz WLABTECFMSPUNO-GFCCVEGCSA-N 2 2 296.415 -0.345 20 0 CBADLP C[C@@H]1CC[NH+](CC(=O)NCC[N@@H+](C)CC(=O)NC2CC2)C1 ZINC001437518473 910673998 /nfs/dbraw/zinc/67/39/98/910673998.db2.gz WLABTECFMSPUNO-GFCCVEGCSA-N 2 2 296.415 -0.345 20 0 CBADLP C[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)CC(=O)N1CCC1 ZINC001437559605 910681969 /nfs/dbraw/zinc/68/19/69/910681969.db2.gz MFSNNJYZBLXDEW-LBPRGKRZSA-N 2 2 282.388 -0.782 20 0 CBADLP C[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)CC(=O)N1CCC1 ZINC001437559605 910681976 /nfs/dbraw/zinc/68/19/76/910681976.db2.gz MFSNNJYZBLXDEW-LBPRGKRZSA-N 2 2 282.388 -0.782 20 0 CBADLP C[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)CC(=O)N1CCC1 ZINC001437559605 910681989 /nfs/dbraw/zinc/68/19/89/910681989.db2.gz MFSNNJYZBLXDEW-LBPRGKRZSA-N 2 2 282.388 -0.782 20 0 CBADLP C[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)CC(=O)N1CCC1 ZINC001437559605 910681995 /nfs/dbraw/zinc/68/19/95/910681995.db2.gz MFSNNJYZBLXDEW-LBPRGKRZSA-N 2 2 282.388 -0.782 20 0 CBADLP C[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)CC(=O)N1CCC1 ZINC001437559603 910682816 /nfs/dbraw/zinc/68/28/16/910682816.db2.gz MFSNNJYZBLXDEW-GFCCVEGCSA-N 2 2 282.388 -0.782 20 0 CBADLP C[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)CC(=O)N1CCC1 ZINC001437559603 910682819 /nfs/dbraw/zinc/68/28/19/910682819.db2.gz MFSNNJYZBLXDEW-GFCCVEGCSA-N 2 2 282.388 -0.782 20 0 CBADLP C[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)CC(=O)N1CCC1 ZINC001437559603 910682823 /nfs/dbraw/zinc/68/28/23/910682823.db2.gz MFSNNJYZBLXDEW-GFCCVEGCSA-N 2 2 282.388 -0.782 20 0 CBADLP C[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)CC(=O)N1CCC1 ZINC001437559603 910682827 /nfs/dbraw/zinc/68/28/27/910682827.db2.gz MFSNNJYZBLXDEW-GFCCVEGCSA-N 2 2 282.388 -0.782 20 0 CBADLP CCN(C)C(=O)C[N@H+](C)CCNC(=O)C[NH+](C)C(C)C ZINC001437571101 910688933 /nfs/dbraw/zinc/68/89/33/910688933.db2.gz SAFXYTWCEOGVMB-UHFFFAOYSA-N 2 2 286.420 -0.147 20 0 CBADLP CCN(C)C(=O)C[N@@H+](C)CCNC(=O)C[NH+](C)C(C)C ZINC001437571101 910688949 /nfs/dbraw/zinc/68/89/49/910688949.db2.gz SAFXYTWCEOGVMB-UHFFFAOYSA-N 2 2 286.420 -0.147 20 0 CBADLP CCN(C)C(=O)C[NH+](C)CCNC(=O)C[N@H+](C)C(C)C ZINC001437571101 910688959 /nfs/dbraw/zinc/68/89/59/910688959.db2.gz SAFXYTWCEOGVMB-UHFFFAOYSA-N 2 2 286.420 -0.147 20 0 CBADLP CCN(C)C(=O)C[NH+](C)CCNC(=O)C[N@@H+](C)C(C)C ZINC001437571101 910688969 /nfs/dbraw/zinc/68/89/69/910688969.db2.gz SAFXYTWCEOGVMB-UHFFFAOYSA-N 2 2 286.420 -0.147 20 0 CBADLP CC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)Cc1cnnn1C ZINC001437590955 910693900 /nfs/dbraw/zinc/69/39/00/910693900.db2.gz OIMNUVRVQRAGFJ-ZDUSSCGKSA-N 2 2 294.403 -0.153 20 0 CBADLP CC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)Cc1cnnn1C ZINC001437590955 910693909 /nfs/dbraw/zinc/69/39/09/910693909.db2.gz OIMNUVRVQRAGFJ-ZDUSSCGKSA-N 2 2 294.403 -0.153 20 0 CBADLP CC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)Cc1cnnn1C ZINC001437590955 910693915 /nfs/dbraw/zinc/69/39/15/910693915.db2.gz OIMNUVRVQRAGFJ-ZDUSSCGKSA-N 2 2 294.403 -0.153 20 0 CBADLP CC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)Cc1cnnn1C ZINC001437590955 910693922 /nfs/dbraw/zinc/69/39/22/910693922.db2.gz OIMNUVRVQRAGFJ-ZDUSSCGKSA-N 2 2 294.403 -0.153 20 0 CBADLP CC[N@H+](C)CCC(=O)N[C@H](C)C1C[NH+](CC(=O)NC)C1 ZINC001506668544 921600105 /nfs/dbraw/zinc/60/01/05/921600105.db2.gz YLKYZYKSLOGSAA-LLVKDONJSA-N 2 2 284.404 -0.489 20 0 CBADLP CC[N@@H+](C)CCC(=O)N[C@H](C)C1C[NH+](CC(=O)NC)C1 ZINC001506668544 921600108 /nfs/dbraw/zinc/60/01/08/921600108.db2.gz YLKYZYKSLOGSAA-LLVKDONJSA-N 2 2 284.404 -0.489 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001437725103 910732965 /nfs/dbraw/zinc/73/29/65/910732965.db2.gz ODVSGLVCLSMAFA-GHMZBOCLSA-N 2 2 291.355 -0.721 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001437725103 910732980 /nfs/dbraw/zinc/73/29/80/910732980.db2.gz ODVSGLVCLSMAFA-GHMZBOCLSA-N 2 2 291.355 -0.721 20 0 CBADLP C[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](CC(=O)NC2CC2)C1 ZINC001438020223 910792947 /nfs/dbraw/zinc/79/29/47/910792947.db2.gz CRSPFAPKUWITPI-CYBMUJFWSA-N 2 2 296.415 -0.203 20 0 CBADLP C[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NC2CC2)C1 ZINC001438020223 910792956 /nfs/dbraw/zinc/79/29/56/910792956.db2.gz CRSPFAPKUWITPI-CYBMUJFWSA-N 2 2 296.415 -0.203 20 0 CBADLP CC[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CC(=O)N1CCC1 ZINC001438366575 910887098 /nfs/dbraw/zinc/88/70/98/910887098.db2.gz CQGKKPNXWOTSNL-NSHDSACASA-N 2 2 293.371 -0.331 20 0 CBADLP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1C[NH+](CCO)CCO1 ZINC001438567406 910922691 /nfs/dbraw/zinc/92/26/91/910922691.db2.gz JQYQHRLRTVYXHU-KGLIPLIRSA-N 2 2 299.415 -0.330 20 0 CBADLP C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1C[NH+](CCO)CCO1 ZINC001438567406 910922707 /nfs/dbraw/zinc/92/27/07/910922707.db2.gz JQYQHRLRTVYXHU-KGLIPLIRSA-N 2 2 299.415 -0.330 20 0 CBADLP C[NH+]1CCC[C@@H]1CCC(=O)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001438567406 910922721 /nfs/dbraw/zinc/92/27/21/910922721.db2.gz JQYQHRLRTVYXHU-KGLIPLIRSA-N 2 2 299.415 -0.330 20 0 CBADLP C[NH+]1CCC[C@@H]1CCC(=O)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001438567406 910922732 /nfs/dbraw/zinc/92/27/32/910922732.db2.gz JQYQHRLRTVYXHU-KGLIPLIRSA-N 2 2 299.415 -0.330 20 0 CBADLP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@@H]1C[NH+](CCO)CCO1 ZINC001438567410 910924173 /nfs/dbraw/zinc/92/41/73/910924173.db2.gz JQYQHRLRTVYXHU-ZIAGYGMSSA-N 2 2 299.415 -0.330 20 0 CBADLP C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@@H]1C[NH+](CCO)CCO1 ZINC001438567410 910924189 /nfs/dbraw/zinc/92/41/89/910924189.db2.gz JQYQHRLRTVYXHU-ZIAGYGMSSA-N 2 2 299.415 -0.330 20 0 CBADLP C[NH+]1CCC[C@@H]1CCC(=O)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001438567410 910924199 /nfs/dbraw/zinc/92/41/99/910924199.db2.gz JQYQHRLRTVYXHU-ZIAGYGMSSA-N 2 2 299.415 -0.330 20 0 CBADLP C[NH+]1CCC[C@@H]1CCC(=O)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001438567410 910924221 /nfs/dbraw/zinc/92/42/21/910924221.db2.gz JQYQHRLRTVYXHU-ZIAGYGMSSA-N 2 2 299.415 -0.330 20 0 CBADLP C[C@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001438585753 910926736 /nfs/dbraw/zinc/92/67/36/910926736.db2.gz JITLHTFMHLHLGU-STQMWFEESA-N 2 2 285.388 -0.720 20 0 CBADLP C[C@H](O)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001438585753 910926752 /nfs/dbraw/zinc/92/67/52/910926752.db2.gz JITLHTFMHLHLGU-STQMWFEESA-N 2 2 285.388 -0.720 20 0 CBADLP C[C@H](C[NH2+]CC(N)=O)N(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001438672535 910952759 /nfs/dbraw/zinc/95/27/59/910952759.db2.gz ZVRIOVAERQFFQK-GHMZBOCLSA-N 2 2 293.371 -0.633 20 0 CBADLP C[C@H](O)C[NH2+]C[C@H](O)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001438996615 911045952 /nfs/dbraw/zinc/04/59/52/911045952.db2.gz GFZNAPWSSROQFY-ONGXEEELSA-N 2 2 292.339 -0.376 20 0 CBADLP COc1cc[nH+]cc1CC(=O)NC[C@H](O)C[NH2+]C[C@@H](C)O ZINC001438999647 911046859 /nfs/dbraw/zinc/04/68/59/911046859.db2.gz LEVBPDNPEANWLT-ZYHUDNBSSA-N 2 2 297.355 -0.920 20 0 CBADLP Cc1cc(C[NH2+]C[C@H](C)NC(=O)[C@H]2C[N@H+](C)CCO2)on1 ZINC001439199485 911140114 /nfs/dbraw/zinc/14/01/14/911140114.db2.gz MDQDJNNCGPBHRZ-WCQYABFASA-N 2 2 296.371 -0.092 20 0 CBADLP Cc1cc(C[NH2+]C[C@H](C)NC(=O)[C@H]2C[N@@H+](C)CCO2)on1 ZINC001439199485 911140124 /nfs/dbraw/zinc/14/01/24/911140124.db2.gz MDQDJNNCGPBHRZ-WCQYABFASA-N 2 2 296.371 -0.092 20 0 CBADLP Cc1cc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2C[N@H+](C)CCO2)on1 ZINC001439199483 911140193 /nfs/dbraw/zinc/14/01/93/911140193.db2.gz MDQDJNNCGPBHRZ-AAEUAGOBSA-N 2 2 296.371 -0.092 20 0 CBADLP Cc1cc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2C[N@@H+](C)CCO2)on1 ZINC001439199483 911140205 /nfs/dbraw/zinc/14/02/05/911140205.db2.gz MDQDJNNCGPBHRZ-AAEUAGOBSA-N 2 2 296.371 -0.092 20 0 CBADLP CNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001439220632 911143971 /nfs/dbraw/zinc/14/39/71/911143971.db2.gz CAQWJHYCKLWEIY-WDEREUQCSA-N 2 2 293.371 -0.714 20 0 CBADLP CNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001439221675 911148867 /nfs/dbraw/zinc/14/88/67/911148867.db2.gz JQEXZVFUAKSGLN-WDEREUQCSA-N 2 2 293.371 -0.714 20 0 CBADLP C[C@@H](C[NH2+]CC(=O)N1CCCC1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001439262963 911157618 /nfs/dbraw/zinc/15/76/18/911157618.db2.gz IUVPQQWVMNXWIP-NSHDSACASA-N 2 2 293.371 -0.331 20 0 CBADLP C[C@@H](C[NH2+]Cc1cnnn1C)NC(=O)Cn1cc[nH+]c1 ZINC001439294690 911169132 /nfs/dbraw/zinc/16/91/32/911169132.db2.gz VNKKILIXBXYIJW-JTQLQIEISA-N 2 2 277.332 -0.694 20 0 CBADLP CC[C@H](C(=O)NC[C@@H]1CC[N@@H+]1CCn1cncn1)[NH+](C)C ZINC001439532009 911233562 /nfs/dbraw/zinc/23/35/62/911233562.db2.gz DNHANNOOQDTVRO-QWHCGFSZSA-N 2 2 294.403 -0.191 20 0 CBADLP CC[C@H](C(=O)NC[C@@H]1CC[N@H+]1CCn1cncn1)[NH+](C)C ZINC001439532009 911233576 /nfs/dbraw/zinc/23/35/76/911233576.db2.gz DNHANNOOQDTVRO-QWHCGFSZSA-N 2 2 294.403 -0.191 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)C(=O)N(C)C1C[NH+](CCCO)C1 ZINC001439755275 911282799 /nfs/dbraw/zinc/28/27/99/911282799.db2.gz MCCYKEFYHJTDHC-CYBMUJFWSA-N 2 2 299.415 -0.520 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)C(=O)N(C)C1C[NH+](C[C@H](C)O)C1 ZINC001439754251 911284985 /nfs/dbraw/zinc/28/49/85/911284985.db2.gz DEHCXDJAPVHPTD-OLZOCXBDSA-N 2 2 299.415 -0.522 20 0 CBADLP C[C@H]([NH2+]C[C@@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1)C(N)=O ZINC001439775076 911289456 /nfs/dbraw/zinc/28/94/56/911289456.db2.gz XWMKFLRJENAKKH-JQWIXIFHSA-N 2 2 293.371 -0.203 20 0 CBADLP C[C@H]([NH2+]C[C@@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1)C(N)=O ZINC001439775076 911289465 /nfs/dbraw/zinc/28/94/65/911289465.db2.gz XWMKFLRJENAKKH-JQWIXIFHSA-N 2 2 293.371 -0.203 20 0 CBADLP C[C@@H]([NH2+]C[C@@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1)C(N)=O ZINC001439775081 911290800 /nfs/dbraw/zinc/29/08/00/911290800.db2.gz XWMKFLRJENAKKH-PWSUYJOCSA-N 2 2 293.371 -0.203 20 0 CBADLP C[C@@H]([NH2+]C[C@@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1)C(N)=O ZINC001439775081 911290820 /nfs/dbraw/zinc/29/08/20/911290820.db2.gz XWMKFLRJENAKKH-PWSUYJOCSA-N 2 2 293.371 -0.203 20 0 CBADLP C[C@H](O)C[NH+]1CC(O)(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001440053977 911369136 /nfs/dbraw/zinc/36/91/36/911369136.db2.gz DWGTVSJSRXWOBH-STQMWFEESA-N 2 2 299.415 -0.596 20 0 CBADLP C[C@H](O)C[NH+]1CC(O)(CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001440053977 911369158 /nfs/dbraw/zinc/36/91/58/911369158.db2.gz DWGTVSJSRXWOBH-STQMWFEESA-N 2 2 299.415 -0.596 20 0 CBADLP C[C@H](O)CCC[NH+]1CC(O)(CNC(=O)CC[NH+](C)C)C1 ZINC001440068144 911371680 /nfs/dbraw/zinc/37/16/80/911371680.db2.gz FWINPPYYRNLMCT-LBPRGKRZSA-N 2 2 287.404 -0.738 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)NCC1([NH2+]CCO)CCC1 ZINC001440324934 911429282 /nfs/dbraw/zinc/42/92/82/911429282.db2.gz RLEPDHPSWAZYBB-UHFFFAOYSA-N 2 2 280.372 -0.027 20 0 CBADLP C[C@H](O)C[NH2+]CC1(O)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001440641778 911484472 /nfs/dbraw/zinc/48/44/72/911484472.db2.gz VIFBYGJYWQBRLC-LBPRGKRZSA-N 2 2 296.371 -0.793 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@@H](C)CCNC(=O)CCn1cc[nH+]c1 ZINC001440668601 911488881 /nfs/dbraw/zinc/48/88/81/911488881.db2.gz BWQQISKPGBEFHT-RYUDHWBXSA-N 2 2 295.387 -0.108 20 0 CBADLP CNC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001440853382 911526611 /nfs/dbraw/zinc/52/66/11/911526611.db2.gz WTSHXJBLKGZUIV-RKDXNWHRSA-N 2 2 281.360 -0.511 20 0 CBADLP C[C@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)[NH2+]Cc1cnnn1C ZINC001440845225 911526873 /nfs/dbraw/zinc/52/68/73/911526873.db2.gz CDYVTVWPNNWORA-QWRGUYRKSA-N 2 2 291.359 -0.305 20 0 CBADLP CC(C)NC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001440842701 911529211 /nfs/dbraw/zinc/52/92/11/911529211.db2.gz XJDIBZOQRXMFNM-QWRGUYRKSA-N 2 2 295.387 -0.040 20 0 CBADLP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@@H](C)[NH2+]Cc1cn(C)nn1 ZINC001440857190 911533284 /nfs/dbraw/zinc/53/32/84/911533284.db2.gz XEAMCIFNCGGJFM-GHMZBOCLSA-N 2 2 291.359 -0.305 20 0 CBADLP C[C@@H](NC(=O)C[NH+]1CCC(C)CC1)C1C[NH+](CC(N)=O)C1 ZINC001441198431 911620508 /nfs/dbraw/zinc/62/05/08/911620508.db2.gz UTMIVRUAWKLDGG-GFCCVEGCSA-N 2 2 296.415 -0.360 20 0 CBADLP C[C@H]([NH2+][C@H](CNC(=O)Cn1cc[nH+]c1)C1CC1)C(N)=O ZINC001441294009 911636628 /nfs/dbraw/zinc/63/66/28/911636628.db2.gz HBLVRSHKQVDHPW-GXSJLCMTSA-N 2 2 279.344 -0.759 20 0 CBADLP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)CCc2c[nH+]cn2C)C1)C(N)=O ZINC001441430661 911668779 /nfs/dbraw/zinc/66/87/79/911668779.db2.gz JSEPZHDQPIBPFP-DCAQKATOSA-N 2 2 293.371 -0.537 20 0 CBADLP CN(C)C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001441487348 911681457 /nfs/dbraw/zinc/68/14/57/911681457.db2.gz OBSUCOXEHUNDRV-TXEJJXNPSA-N 2 2 293.371 -0.333 20 0 CBADLP CN(C)C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001441487348 911681463 /nfs/dbraw/zinc/68/14/63/911681463.db2.gz OBSUCOXEHUNDRV-TXEJJXNPSA-N 2 2 293.371 -0.333 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001441523329 911692658 /nfs/dbraw/zinc/69/26/58/911692658.db2.gz HQLZKKMWCDYBNB-DBIOUOCHSA-N 2 2 293.371 -0.301 20 0 CBADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001441523329 911692670 /nfs/dbraw/zinc/69/26/70/911692670.db2.gz HQLZKKMWCDYBNB-DBIOUOCHSA-N 2 2 293.371 -0.301 20 0 CBADLP CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001441530970 911699503 /nfs/dbraw/zinc/69/95/03/911699503.db2.gz VSZVDEZIRZCZQT-PHIMTYICSA-N 2 2 295.391 -0.711 20 0 CBADLP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001441530970 911699507 /nfs/dbraw/zinc/69/95/07/911699507.db2.gz VSZVDEZIRZCZQT-PHIMTYICSA-N 2 2 295.391 -0.711 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NC[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001441595688 911713398 /nfs/dbraw/zinc/71/33/98/911713398.db2.gz YWFCDQJDZQKASP-GFCCVEGCSA-N 2 2 293.371 -0.495 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NC[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001441595688 911713410 /nfs/dbraw/zinc/71/34/10/911713410.db2.gz YWFCDQJDZQKASP-GFCCVEGCSA-N 2 2 293.371 -0.495 20 0 CBADLP CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001441655725 911726947 /nfs/dbraw/zinc/72/69/47/911726947.db2.gz SNQQCNIGQDPZEK-NSHDSACASA-N 2 2 295.387 -0.465 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)NC[C@H](CO)[NH2+]C[C@@H]1CCOC1 ZINC001441703063 911757860 /nfs/dbraw/zinc/75/78/60/911757860.db2.gz GRCZZSYGQNWGNX-WCQYABFASA-N 2 2 296.371 -0.555 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)NC[C@H](CO)[NH2+]C[C@@H]1CCOC1 ZINC001441703063 911757866 /nfs/dbraw/zinc/75/78/66/911757866.db2.gz GRCZZSYGQNWGNX-WCQYABFASA-N 2 2 296.371 -0.555 20 0 CBADLP Cc1[nH+]cc2n1C[C@@H](C(=O)NC[C@H](CO)[NH2+]CCF)CC2 ZINC001441742322 911774333 /nfs/dbraw/zinc/77/43/33/911774333.db2.gz OVDUKCLLQDCFSU-NWDGAFQWSA-N 2 2 298.362 -0.210 20 0 CBADLP CCN(C)C(=O)C[NH2+][C@@H](C)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001507162287 921691592 /nfs/dbraw/zinc/69/15/92/921691592.db2.gz FYLJZBKMFNKABY-LBPRGKRZSA-N 2 2 295.387 -0.202 20 0 CBADLP C[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+][C@@H]1CCCNC1=O ZINC001441869963 911841625 /nfs/dbraw/zinc/84/16/25/911841625.db2.gz WCJISOWZFUMICN-CMPLNLGQSA-N 2 2 293.371 -0.285 20 0 CBADLP C[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH2+][C@@H]1CCCNC1=O ZINC001441869963 911841638 /nfs/dbraw/zinc/84/16/38/911841638.db2.gz WCJISOWZFUMICN-CMPLNLGQSA-N 2 2 293.371 -0.285 20 0 CBADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CC(=O)NCC1CC1 ZINC001441969910 911872238 /nfs/dbraw/zinc/87/22/38/911872238.db2.gz IJEGULAYBBTBIC-SNVBAGLBSA-N 2 2 293.371 -0.427 20 0 CBADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+][C@H]1CCCNC1=O ZINC001442065825 911914452 /nfs/dbraw/zinc/91/44/52/911914452.db2.gz FQCDOKAMSYHVSH-QWRGUYRKSA-N 2 2 279.344 -0.744 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@@H](O)C[N@H+](C)CCO ZINC001442090386 911927173 /nfs/dbraw/zinc/92/71/73/911927173.db2.gz HZTTXYNSYDRNPG-NSHDSACASA-N 2 2 284.360 -0.996 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@@H](O)C[N@@H+](C)CCO ZINC001442090386 911927185 /nfs/dbraw/zinc/92/71/85/911927185.db2.gz HZTTXYNSYDRNPG-NSHDSACASA-N 2 2 284.360 -0.996 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001442164650 911939961 /nfs/dbraw/zinc/93/99/61/911939961.db2.gz XVQQTQORUPNXSC-MNOVXSKESA-N 2 2 293.371 -0.475 20 0 CBADLP C[C@H](CCNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CC(=O)NC1CC1 ZINC001442305323 911964536 /nfs/dbraw/zinc/96/45/36/911964536.db2.gz HMSPVQGQKRNQQZ-SNVBAGLBSA-N 2 2 293.371 -0.285 20 0 CBADLP C[C@H](O)C[N@@H+]1CCC[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001442810444 912109335 /nfs/dbraw/zinc/10/93/35/912109335.db2.gz NNIXRUNUMWFZHX-NWDGAFQWSA-N 2 2 280.372 -0.076 20 0 CBADLP C[C@H](O)C[N@H+]1CCC[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001442810444 912109343 /nfs/dbraw/zinc/10/93/43/912109343.db2.gz NNIXRUNUMWFZHX-NWDGAFQWSA-N 2 2 280.372 -0.076 20 0 CBADLP C[C@H]([NH2+]CCN(C)C(=O)CCCn1cc[nH+]c1)C(N)=O ZINC001443096538 912155208 /nfs/dbraw/zinc/15/52/08/912155208.db2.gz GLLYRFNDBRAKDQ-NSHDSACASA-N 2 2 281.360 -0.415 20 0 CBADLP CC[NH+](CC)C[C@H](F)C(=O)NC1C[NH+](CCCO)C1 ZINC001443476300 912208220 /nfs/dbraw/zinc/20/82/20/912208220.db2.gz XQEGUTKWPONBPX-LBPRGKRZSA-N 2 2 275.368 -0.151 20 0 CBADLP C[NH+]1CCC(NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)CC1 ZINC001462667501 914888243 /nfs/dbraw/zinc/88/82/43/914888243.db2.gz OVTLWUMHBSGLKN-LSDHHAIUSA-N 2 2 283.416 -0.104 20 0 CBADLP C[NH+]1CCC(NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)CC1 ZINC001462667501 914888260 /nfs/dbraw/zinc/88/82/60/914888260.db2.gz OVTLWUMHBSGLKN-LSDHHAIUSA-N 2 2 283.416 -0.104 20 0 CBADLP C[NH+]1CCC([NH2+]C[C@@]2(CO)COC[C@@H]3CCCN32)CC1 ZINC001462667501 914888281 /nfs/dbraw/zinc/88/82/81/914888281.db2.gz OVTLWUMHBSGLKN-LSDHHAIUSA-N 2 2 283.416 -0.104 20 0 CBADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCN1CC[NH+](C)CC1 ZINC001463835011 914931545 /nfs/dbraw/zinc/93/15/45/914931545.db2.gz VKEUAKKTXXFGIZ-CHWSQXEVSA-N 2 2 291.399 -0.113 20 0 CBADLP CCC[NH2+][C@H](CO)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001507205165 921740335 /nfs/dbraw/zinc/74/03/35/921740335.db2.gz TUVINQAMXUKMCE-HBNTYKKESA-N 2 2 266.345 -0.010 20 0 CBADLP CCC[NH2+][C@H](CO)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001507205165 921740345 /nfs/dbraw/zinc/74/03/45/921740345.db2.gz TUVINQAMXUKMCE-HBNTYKKESA-N 2 2 266.345 -0.010 20 0 CBADLP COCC[NH2+][C@@H](CO)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001507207714 921740620 /nfs/dbraw/zinc/74/06/20/921740620.db2.gz VOAJXHJFXREJJX-GFCCVEGCSA-N 2 2 298.387 -0.360 20 0 CBADLP CC(C)[NH2+][C@@H](CO)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001507210755 921746103 /nfs/dbraw/zinc/74/61/03/921746103.db2.gz DOSMLBWQVUJETD-NWDGAFQWSA-N 2 2 280.372 -0.079 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH+]2CCC(O)CC2)C1 ZINC001468122953 915271967 /nfs/dbraw/zinc/27/19/67/915271967.db2.gz UZUHUPPVRFAQCP-ZDUSSCGKSA-N 2 2 285.388 -0.720 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)NCC[NH+]2CCC(O)CC2)C1 ZINC001468122953 915271972 /nfs/dbraw/zinc/27/19/72/915271972.db2.gz UZUHUPPVRFAQCP-ZDUSSCGKSA-N 2 2 285.388 -0.720 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@@H](CO)[NH2+]C/C=C\Cl ZINC001507268982 921794714 /nfs/dbraw/zinc/79/47/14/921794714.db2.gz WCQFLSNHYGZANM-SYBPUXJVSA-N 2 2 272.736 -0.298 20 0 CBADLP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](CC(N)=O)[C@H]1C ZINC001507383306 921814348 /nfs/dbraw/zinc/81/43/48/921814348.db2.gz IYIBEDSLJPVEBJ-NWDGAFQWSA-N 2 2 284.404 -0.217 20 0 CBADLP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[NH+](CC(N)=O)[C@H]1C ZINC001507383306 921814357 /nfs/dbraw/zinc/81/43/57/921814357.db2.gz IYIBEDSLJPVEBJ-NWDGAFQWSA-N 2 2 284.404 -0.217 20 0 CBADLP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](CC(N)=O)[C@H]1C ZINC001507383306 921814361 /nfs/dbraw/zinc/81/43/61/921814361.db2.gz IYIBEDSLJPVEBJ-NWDGAFQWSA-N 2 2 284.404 -0.217 20 0 CBADLP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)[C@H]1C ZINC001507383306 921814365 /nfs/dbraw/zinc/81/43/65/921814365.db2.gz IYIBEDSLJPVEBJ-NWDGAFQWSA-N 2 2 284.404 -0.217 20 0 CBADLP C[C@@H]1C[N@@H+](CCO)CCN1CC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC001473547326 915830841 /nfs/dbraw/zinc/83/08/41/915830841.db2.gz SDSSUUKMYAOOMW-KFWWJZLASA-N 2 2 283.416 -0.152 20 0 CBADLP C[C@@H]1C[NH+](CCO)CCN1CC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC001473547326 915830861 /nfs/dbraw/zinc/83/08/61/915830861.db2.gz SDSSUUKMYAOOMW-KFWWJZLASA-N 2 2 283.416 -0.152 20 0 CBADLP C[C@@H]1C[NH+](CCO)CCN1CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC001473547326 915830878 /nfs/dbraw/zinc/83/08/78/915830878.db2.gz SDSSUUKMYAOOMW-KFWWJZLASA-N 2 2 283.416 -0.152 20 0 CBADLP CNC(=O)CN1CCC[N@H+](CCc2c[nH+]cn2C)CC1 ZINC001473812342 915861316 /nfs/dbraw/zinc/86/13/16/915861316.db2.gz RDNISUJSEYWYLG-UHFFFAOYSA-N 2 2 279.388 -0.284 20 0 CBADLP CNC(=O)CN1CCC[N@@H+](CCc2c[nH+]cn2C)CC1 ZINC001473812342 915861327 /nfs/dbraw/zinc/86/13/27/915861327.db2.gz RDNISUJSEYWYLG-UHFFFAOYSA-N 2 2 279.388 -0.284 20 0 CBADLP CC[NH+](CC)CCNS(=O)(=O)N1CC[NH+](C)CC1 ZINC001474773783 915904742 /nfs/dbraw/zinc/90/47/42/915904742.db2.gz QLCIEHJWQOLVQP-UHFFFAOYSA-N 2 2 278.422 -0.590 20 0 CBADLP CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001479321201 916118578 /nfs/dbraw/zinc/11/85/78/916118578.db2.gz GVCWOFGPIUGGEB-PHIMTYICSA-N 2 2 293.371 -0.427 20 0 CBADLP C[C@H](CC(=O)NC[C@H]1C[C@@H]([NH2+]CC(N)=O)C1)n1cc[nH+]c1 ZINC001479330004 916119281 /nfs/dbraw/zinc/11/92/81/916119281.db2.gz ZBMORDTXPZRKLA-UTUOFQBUSA-N 2 2 293.371 -0.196 20 0 CBADLP C[C@@H](CC(=O)NC[C@H]1C[C@H]([NH2+]CC(N)=O)C1)n1cc[nH+]c1 ZINC001479401155 916129292 /nfs/dbraw/zinc/12/92/92/916129292.db2.gz ZBMORDTXPZRKLA-SRVKXCTJSA-N 2 2 293.371 -0.196 20 0 CBADLP CNC(=O)C[N@H+](C)CCCNC(=O)Cn1c[nH+]cc1C ZINC001479784082 916175700 /nfs/dbraw/zinc/17/57/00/916175700.db2.gz BHCKETKWQPZGNM-UHFFFAOYSA-N 2 2 281.360 -0.624 20 0 CBADLP CNC(=O)C[N@@H+](C)CCCNC(=O)Cn1c[nH+]cc1C ZINC001479784082 916175707 /nfs/dbraw/zinc/17/57/07/916175707.db2.gz BHCKETKWQPZGNM-UHFFFAOYSA-N 2 2 281.360 -0.624 20 0 CBADLP O=C(NC[C@H]([NH2+]CCO)C1CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001480026118 916263003 /nfs/dbraw/zinc/26/30/03/916263003.db2.gz BSUJRCPYPFGKEZ-UTUOFQBUSA-N 2 2 278.356 -0.010 20 0 CBADLP O=C(NC[C@H]([NH2+]CCO)C1CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001480026118 916263014 /nfs/dbraw/zinc/26/30/14/916263014.db2.gz BSUJRCPYPFGKEZ-UTUOFQBUSA-N 2 2 278.356 -0.010 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@@H](CNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001480069158 916276797 /nfs/dbraw/zinc/27/67/97/916276797.db2.gz NOJNRGIWYINURI-PWSUYJOCSA-N 2 2 293.371 -0.498 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@H]([NH2+]CCO)C1CC1 ZINC001480067947 916279395 /nfs/dbraw/zinc/27/93/95/916279395.db2.gz CMYMVBALFTWMTN-NSHDSACASA-N 2 2 252.318 -0.640 20 0 CBADLP CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001480215789 916333478 /nfs/dbraw/zinc/33/34/78/916333478.db2.gz XTANHNTWGJOPNE-PHIMTYICSA-N 2 2 293.371 -0.665 20 0 CBADLP NC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001480301181 916354564 /nfs/dbraw/zinc/35/45/64/916354564.db2.gz UJPOJCAHGTXMMQ-JTQLQIEISA-N 2 2 279.344 -0.734 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)[NH2+]CC(N)=O ZINC001480490614 916435351 /nfs/dbraw/zinc/43/53/51/916435351.db2.gz RFSKRGJBFDIPHC-VHSXEESVSA-N 2 2 279.344 -0.975 20 0 CBADLP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1ncnn1C ZINC001480487807 916435936 /nfs/dbraw/zinc/43/59/36/916435936.db2.gz ZPZWYEDQSYZWTP-VXGBXAGGSA-N 2 2 294.403 -0.106 20 0 CBADLP C[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)[NH2+]Cc1ncnn1C ZINC001480487807 916435944 /nfs/dbraw/zinc/43/59/44/916435944.db2.gz ZPZWYEDQSYZWTP-VXGBXAGGSA-N 2 2 294.403 -0.106 20 0 CBADLP CCN(C)C(=O)C[NH2+][C@@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001480512377 916447215 /nfs/dbraw/zinc/44/72/15/916447215.db2.gz QPPOIIGKHJYROM-LBPRGKRZSA-N 2 2 295.387 -0.154 20 0 CBADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CCn1cccn1 ZINC001480562773 916474750 /nfs/dbraw/zinc/47/47/50/916474750.db2.gz UYZIFBNYTPKZCV-NSHDSACASA-N 2 2 276.344 -0.057 20 0 CBADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1ccnn1C ZINC001480603407 916492113 /nfs/dbraw/zinc/49/21/13/916492113.db2.gz IGBWPJAESIONBU-LLVKDONJSA-N 2 2 276.344 -0.089 20 0 CBADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1ccn(C)n1 ZINC001480605445 916492711 /nfs/dbraw/zinc/49/27/11/916492711.db2.gz WMYPGTSBVWXERK-LLVKDONJSA-N 2 2 276.344 -0.089 20 0 CBADLP CCN1CC[C@@H]([NH2+][C@H](C)CNC(=O)Cn2cc[nH+]c2)C1=O ZINC001480605544 916492751 /nfs/dbraw/zinc/49/27/51/916492751.db2.gz XXVXCFKEIWONKG-VXGBXAGGSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1nnnn1C ZINC001480812353 916550327 /nfs/dbraw/zinc/55/03/27/916550327.db2.gz HHBOAZFUNBVQIX-SNVBAGLBSA-N 2 2 292.347 -0.909 20 0 CBADLP CNC(=O)C[N@H+](C)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001480913177 916623536 /nfs/dbraw/zinc/62/35/36/916623536.db2.gz KCKMLTJCFLAPEH-LLVKDONJSA-N 2 2 270.377 -0.878 20 0 CBADLP CNC(=O)C[N@@H+](C)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001480913177 916623549 /nfs/dbraw/zinc/62/35/49/916623549.db2.gz KCKMLTJCFLAPEH-LLVKDONJSA-N 2 2 270.377 -0.878 20 0 CBADLP CNC(=O)C[NH+](C)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001480913177 916623566 /nfs/dbraw/zinc/62/35/66/916623566.db2.gz KCKMLTJCFLAPEH-LLVKDONJSA-N 2 2 270.377 -0.878 20 0 CBADLP CNC(=O)C[NH+](C)CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001480913177 916623572 /nfs/dbraw/zinc/62/35/72/916623572.db2.gz KCKMLTJCFLAPEH-LLVKDONJSA-N 2 2 270.377 -0.878 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001480935014 916642784 /nfs/dbraw/zinc/64/27/84/916642784.db2.gz JOZFNSNPHZQYOR-CYBMUJFWSA-N 2 2 298.431 -0.099 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001480935014 916642791 /nfs/dbraw/zinc/64/27/91/916642791.db2.gz JOZFNSNPHZQYOR-CYBMUJFWSA-N 2 2 298.431 -0.099 20 0 CBADLP CC(C)NC(=O)C[NH+](C)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001480935014 916642801 /nfs/dbraw/zinc/64/28/01/916642801.db2.gz JOZFNSNPHZQYOR-CYBMUJFWSA-N 2 2 298.431 -0.099 20 0 CBADLP CC(C)NC(=O)C[NH+](C)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001480935014 916642812 /nfs/dbraw/zinc/64/28/12/916642812.db2.gz JOZFNSNPHZQYOR-CYBMUJFWSA-N 2 2 298.431 -0.099 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001480935015 916644458 /nfs/dbraw/zinc/64/44/58/916644458.db2.gz JOZFNSNPHZQYOR-ZDUSSCGKSA-N 2 2 298.431 -0.099 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001480935015 916644473 /nfs/dbraw/zinc/64/44/73/916644473.db2.gz JOZFNSNPHZQYOR-ZDUSSCGKSA-N 2 2 298.431 -0.099 20 0 CBADLP CC(C)NC(=O)C[NH+](C)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001480935015 916644486 /nfs/dbraw/zinc/64/44/86/916644486.db2.gz JOZFNSNPHZQYOR-ZDUSSCGKSA-N 2 2 298.431 -0.099 20 0 CBADLP CC(C)NC(=O)C[NH+](C)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001480935015 916644496 /nfs/dbraw/zinc/64/44/96/916644496.db2.gz JOZFNSNPHZQYOR-ZDUSSCGKSA-N 2 2 298.431 -0.099 20 0 CBADLP CC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C(C)C)CC(N)=O ZINC001480974694 916668348 /nfs/dbraw/zinc/66/83/48/916668348.db2.gz SQLKALLNKIWPSI-LBPRGKRZSA-N 2 2 284.404 -0.217 20 0 CBADLP CC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C(C)C)CC(N)=O ZINC001480974694 916668357 /nfs/dbraw/zinc/66/83/57/916668357.db2.gz SQLKALLNKIWPSI-LBPRGKRZSA-N 2 2 284.404 -0.217 20 0 CBADLP CC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)CC(N)=O ZINC001480974694 916668381 /nfs/dbraw/zinc/66/83/81/916668381.db2.gz SQLKALLNKIWPSI-LBPRGKRZSA-N 2 2 284.404 -0.217 20 0 CBADLP CC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C)CC(N)=O ZINC001480974694 916668391 /nfs/dbraw/zinc/66/83/91/916668391.db2.gz SQLKALLNKIWPSI-LBPRGKRZSA-N 2 2 284.404 -0.217 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)NC[C@H]1CCC[N@@H+]1CCO ZINC001481068076 916703137 /nfs/dbraw/zinc/70/31/37/916703137.db2.gz FIHOYALFDRQDEX-CYBMUJFWSA-N 2 2 280.372 -0.074 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)NC[C@H]1CCC[N@H+]1CCO ZINC001481068076 916703146 /nfs/dbraw/zinc/70/31/46/916703146.db2.gz FIHOYALFDRQDEX-CYBMUJFWSA-N 2 2 280.372 -0.074 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)NC[C@H]1CC[N@H+](CCO)C1 ZINC001481122697 916720902 /nfs/dbraw/zinc/72/09/02/916720902.db2.gz NRPWUSLNXOCGRE-GFCCVEGCSA-N 2 2 280.372 -0.217 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)NC[C@H]1CC[N@@H+](CCO)C1 ZINC001481122697 916720916 /nfs/dbraw/zinc/72/09/16/916720916.db2.gz NRPWUSLNXOCGRE-GFCCVEGCSA-N 2 2 280.372 -0.217 20 0 CBADLP C[C@H](O)C[NH2+]CCN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001481248145 916790460 /nfs/dbraw/zinc/79/04/60/916790460.db2.gz NGWADBVEIDDGRW-NWDGAFQWSA-N 2 2 280.372 -0.126 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001481291073 916807855 /nfs/dbraw/zinc/80/78/55/916807855.db2.gz WBBKWDAUUZZHHC-QWRGUYRKSA-N 2 2 295.387 -0.229 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001481291073 916807873 /nfs/dbraw/zinc/80/78/73/916807873.db2.gz WBBKWDAUUZZHHC-QWRGUYRKSA-N 2 2 295.387 -0.229 20 0 CBADLP CN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+](Cc2cnnn2C)C1 ZINC001481739704 916971470 /nfs/dbraw/zinc/97/14/70/916971470.db2.gz DFHOBVGZVOTHSQ-GFCCVEGCSA-N 2 2 294.403 -0.201 20 0 CBADLP CN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@@H+](Cc2cnnn2C)C1 ZINC001481739704 916971478 /nfs/dbraw/zinc/97/14/78/916971478.db2.gz DFHOBVGZVOTHSQ-GFCCVEGCSA-N 2 2 294.403 -0.201 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001482163867 917071616 /nfs/dbraw/zinc/07/16/16/917071616.db2.gz PPGHPOGONBLEEG-SECBINFHSA-N 2 2 281.360 -0.651 20 0 CBADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+]C[C@H](C)O ZINC001482176465 917076012 /nfs/dbraw/zinc/07/60/12/917076012.db2.gz UNOZIAVAFNKHOO-QWRGUYRKSA-N 2 2 254.334 -0.394 20 0 CBADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+]Cc1cnon1 ZINC001482175623 917077145 /nfs/dbraw/zinc/07/71/45/917077145.db2.gz NXFCLOZZAPTKHG-JTQLQIEISA-N 2 2 278.316 -0.192 20 0 CBADLP CCC[N@H+](C)CC(=O)NC[C@H]1C[NH+](CCCO)CCO1 ZINC001482204764 917089052 /nfs/dbraw/zinc/08/90/52/917089052.db2.gz HHHKTKRNTCOONN-ZDUSSCGKSA-N 2 2 287.404 -0.472 20 0 CBADLP CCC[N@@H+](C)CC(=O)NC[C@H]1C[NH+](CCCO)CCO1 ZINC001482204764 917089063 /nfs/dbraw/zinc/08/90/63/917089063.db2.gz HHHKTKRNTCOONN-ZDUSSCGKSA-N 2 2 287.404 -0.472 20 0 CBADLP CCC[NH+](C)CC(=O)NC[C@H]1C[N@H+](CCCO)CCO1 ZINC001482204764 917089074 /nfs/dbraw/zinc/08/90/74/917089074.db2.gz HHHKTKRNTCOONN-ZDUSSCGKSA-N 2 2 287.404 -0.472 20 0 CBADLP CCC[NH+](C)CC(=O)NC[C@H]1C[N@@H+](CCCO)CCO1 ZINC001482204764 917089086 /nfs/dbraw/zinc/08/90/86/917089086.db2.gz HHHKTKRNTCOONN-ZDUSSCGKSA-N 2 2 287.404 -0.472 20 0 CBADLP CCOCC[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001482205575 917091968 /nfs/dbraw/zinc/09/19/68/917091968.db2.gz OPHUYLOVBBWQDJ-AWEZNQCLSA-N 2 2 299.415 -0.064 20 0 CBADLP CCOCC[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001482205575 917091987 /nfs/dbraw/zinc/09/19/87/917091987.db2.gz OPHUYLOVBBWQDJ-AWEZNQCLSA-N 2 2 299.415 -0.064 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+](C)CCN(C)C(=O)Cc1c[nH+]cn1C ZINC001482642719 917197565 /nfs/dbraw/zinc/19/75/65/917197565.db2.gz QSEPKPKUNDYUHV-LBPRGKRZSA-N 2 2 295.387 -0.383 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)Cc1c[nH+]cn1C ZINC001482642719 917197575 /nfs/dbraw/zinc/19/75/75/917197575.db2.gz QSEPKPKUNDYUHV-LBPRGKRZSA-N 2 2 295.387 -0.383 20 0 CBADLP CCC[N@H+](C)CC(=O)N(C)CC[NH+](C)CC(=O)NC ZINC001482644534 917198693 /nfs/dbraw/zinc/19/86/93/917198693.db2.gz VVCKFSFBVCQADN-UHFFFAOYSA-N 2 2 272.393 -0.536 20 0 CBADLP CCC[N@@H+](C)CC(=O)N(C)CC[NH+](C)CC(=O)NC ZINC001482644534 917198704 /nfs/dbraw/zinc/19/87/04/917198704.db2.gz VVCKFSFBVCQADN-UHFFFAOYSA-N 2 2 272.393 -0.536 20 0 CBADLP CCC[NH+](C)CC(=O)N(C)CC[N@H+](C)CC(=O)NC ZINC001482644534 917198716 /nfs/dbraw/zinc/19/87/16/917198716.db2.gz VVCKFSFBVCQADN-UHFFFAOYSA-N 2 2 272.393 -0.536 20 0 CBADLP CCC[NH+](C)CC(=O)N(C)CC[N@@H+](C)CC(=O)NC ZINC001482644534 917198721 /nfs/dbraw/zinc/19/87/21/917198721.db2.gz VVCKFSFBVCQADN-UHFFFAOYSA-N 2 2 272.393 -0.536 20 0 CBADLP CC[NH2+]C[C@H](O)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001482776654 917271916 /nfs/dbraw/zinc/27/19/16/917271916.db2.gz GGROTWPFZICZGM-ONGXEEELSA-N 2 2 254.334 -0.325 20 0 CBADLP CC[NH2+]C[C@H](O)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001482776654 917271929 /nfs/dbraw/zinc/27/19/29/917271929.db2.gz GGROTWPFZICZGM-ONGXEEELSA-N 2 2 254.334 -0.325 20 0 CBADLP C[C@H](CC[NH2+]Cc1cnon1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001482822492 917301007 /nfs/dbraw/zinc/30/10/07/917301007.db2.gz VVKGXRLEUQGVDH-ZYHUDNBSSA-N 2 2 297.359 -0.615 20 0 CBADLP C[C@H](CC[NH2+]Cc1cnon1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001482822492 917301031 /nfs/dbraw/zinc/30/10/31/917301031.db2.gz VVKGXRLEUQGVDH-ZYHUDNBSSA-N 2 2 297.359 -0.615 20 0 CBADLP C[C@@H](CC[NH2+][C@H]1CCN(C)C1=O)NC(=O)Cc1[nH]cc[nH+]1 ZINC001482883341 917320946 /nfs/dbraw/zinc/32/09/46/917320946.db2.gz BYLVLKBLESMNPS-QWRGUYRKSA-N 2 2 293.371 -0.333 20 0 CBADLP C[C@H](CC[NH2+][C@H]1CCCNC1=O)NC(=O)Cn1cc[nH+]c1 ZINC001482906484 917328141 /nfs/dbraw/zinc/32/81/41/917328141.db2.gz ZKVSLZDJPJEJHQ-NEPJUHHUSA-N 2 2 293.371 -0.354 20 0 CBADLP CC[C@H](C(=O)NC/C=C\C[NH2+]Cc1nnnn1C)[NH+](C)C ZINC001483021351 917376628 /nfs/dbraw/zinc/37/66/28/917376628.db2.gz CSCAGLGFVVXTRL-JMEBYUIHSA-N 2 2 295.391 -0.688 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]C/C=C/CNC(=O)Cc1c[nH]c[nH+]1 ZINC001483065698 917397820 /nfs/dbraw/zinc/39/78/20/917397820.db2.gz VWIUIPRVNXPUNN-FSIBCCDJSA-N 2 2 279.344 -0.651 20 0 CBADLP COC[C@H](O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001483136902 917428332 /nfs/dbraw/zinc/42/83/32/917428332.db2.gz GYIASZAKMZBYIE-DDHJBXDOSA-N 2 2 296.371 -0.385 20 0 CBADLP COC[C@H](O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001483136902 917428348 /nfs/dbraw/zinc/42/83/48/917428348.db2.gz GYIASZAKMZBYIE-DDHJBXDOSA-N 2 2 296.371 -0.385 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C[NH2+][C@H](C)C(=O)N(C)C ZINC001483286712 917504922 /nfs/dbraw/zinc/50/49/22/917504922.db2.gz DUIMIWJLSSIWIJ-GXSJLCMTSA-N 2 2 295.387 -0.168 20 0 CBADLP CC[C@H](C(N)=O)[N@H+](C)C[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001483407437 917559172 /nfs/dbraw/zinc/55/91/72/917559172.db2.gz LUPKXEKEHINYSR-ZYHUDNBSSA-N 2 2 295.387 -0.337 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+](C)C[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001483407437 917559188 /nfs/dbraw/zinc/55/91/88/917559188.db2.gz LUPKXEKEHINYSR-ZYHUDNBSSA-N 2 2 295.387 -0.337 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)N[C@@H](C[NH2+]CCO)C1CC1 ZINC001483602413 917604836 /nfs/dbraw/zinc/60/48/36/917604836.db2.gz QBUDMGRIQHTPDT-ZDUSSCGKSA-N 2 2 280.372 -0.171 20 0 CBADLP C[C@@H]([NH2+]C[C@@]1(C)CCN(C(=O)Cc2[nH]cc[nH+]2)C1)C(N)=O ZINC001484118801 917739356 /nfs/dbraw/zinc/73/93/56/917739356.db2.gz HMSJGKPEDWSURS-QMTHXVAHSA-N 2 2 293.371 -0.346 20 0 CBADLP C[C@H]([NH2+]C[C@@]1(C)CCN(C(=O)Cc2[nH]cc[nH+]2)C1)C(N)=O ZINC001484118800 917740930 /nfs/dbraw/zinc/74/09/30/917740930.db2.gz HMSJGKPEDWSURS-IINYFYTJSA-N 2 2 293.371 -0.346 20 0 CBADLP CC(C)[N@@H+]1CC[C@](O)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001484246113 917786575 /nfs/dbraw/zinc/78/65/75/917786575.db2.gz DWHKXPJDBNSKKT-AWEZNQCLSA-N 2 2 280.372 -0.076 20 0 CBADLP CC(C)[N@H+]1CC[C@](O)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001484246113 917786586 /nfs/dbraw/zinc/78/65/86/917786586.db2.gz DWHKXPJDBNSKKT-AWEZNQCLSA-N 2 2 280.372 -0.076 20 0 CBADLP CC(C)C[NH+]1CC(O)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001484266674 917808540 /nfs/dbraw/zinc/80/85/40/917808540.db2.gz XMMGMIWNKDRJFW-GFCCVEGCSA-N 2 2 285.388 -0.864 20 0 CBADLP CC(C)C[NH+]1CC(O)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001484266674 917808558 /nfs/dbraw/zinc/80/85/58/917808558.db2.gz XMMGMIWNKDRJFW-GFCCVEGCSA-N 2 2 285.388 -0.864 20 0 CBADLP C[N@@H+]1CC[C@H](C(=O)NCC2(O)C[NH+](CCCF)C2)C1 ZINC001484309886 917829518 /nfs/dbraw/zinc/82/95/18/917829518.db2.gz CHMGOZBWASXJQU-NSHDSACASA-N 2 2 273.352 -0.539 20 0 CBADLP C[N@H+]1CC[C@H](C(=O)NCC2(O)C[NH+](CCCF)C2)C1 ZINC001484309886 917829536 /nfs/dbraw/zinc/82/95/36/917829536.db2.gz CHMGOZBWASXJQU-NSHDSACASA-N 2 2 273.352 -0.539 20 0 CBADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C[NH2+]CCO ZINC001484374265 917837013 /nfs/dbraw/zinc/83/70/13/917837013.db2.gz SIZFEGIYRCSCDE-OLZOCXBDSA-N 2 2 280.372 -0.050 20 0 CBADLP C[C@H](O)C[NH2+]C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001484694644 917926479 /nfs/dbraw/zinc/92/64/79/917926479.db2.gz CTNSSFQZRFZJCE-QWRGUYRKSA-N 2 2 282.344 -0.850 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CCO[C@H](C[NH2+]CCO)C1 ZINC001484697984 917926658 /nfs/dbraw/zinc/92/66/58/917926658.db2.gz REKRSVOWYZNGEB-LLVKDONJSA-N 2 2 282.344 -0.930 20 0 CBADLP C[C@H](O)C[NH2+][C@]1(CO)CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001484851783 917948365 /nfs/dbraw/zinc/94/83/65/917948365.db2.gz UJIJZZWPFMCFOX-SMDDNHRTSA-N 2 2 296.371 -0.724 20 0 CBADLP C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@@H]1[NH2+]CC(N)=O ZINC001484910789 917962183 /nfs/dbraw/zinc/96/21/83/917962183.db2.gz YIQIPVPGJPWWIK-NEPJUHHUSA-N 2 2 293.371 -0.415 20 0 CBADLP C[N@H+](CCO)C[C@@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001485068994 917988635 /nfs/dbraw/zinc/98/86/35/917988635.db2.gz IMCVKYYGPNVDGN-LBPRGKRZSA-N 2 2 266.345 -0.133 20 0 CBADLP C[N@@H+](CCO)C[C@@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001485068994 917988652 /nfs/dbraw/zinc/98/86/52/917988652.db2.gz IMCVKYYGPNVDGN-LBPRGKRZSA-N 2 2 266.345 -0.133 20 0 CBADLP C[C@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H](C)[NH2+]CC(=O)N1CCC1 ZINC001485206968 918029482 /nfs/dbraw/zinc/02/94/82/918029482.db2.gz SFELQRZEYLKPHE-QWRGUYRKSA-N 2 2 293.371 -0.333 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)[C@H](C)[NH2+]CC(N)=O ZINC001485219785 918034682 /nfs/dbraw/zinc/03/46/82/918034682.db2.gz ZTDMCOFQSIPSIA-YUMQZZPRSA-N 2 2 267.333 -0.771 20 0 CBADLP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@@H](C)[NH2+]CCn1cncn1 ZINC001485234803 918035347 /nfs/dbraw/zinc/03/53/47/918035347.db2.gz ODUNBBLFFIZZMY-VXGBXAGGSA-N 2 2 291.359 -0.342 20 0 CBADLP CN(CC(C)(C)C[NH2+]CC(N)=O)C(=O)Cc1c[nH+]c[nH]1 ZINC001485260154 918038856 /nfs/dbraw/zinc/03/88/56/918038856.db2.gz IOISZONXIYHQPE-UHFFFAOYSA-N 2 2 281.360 -0.488 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH+](C)Cc1cnnn1C ZINC001485288914 918055937 /nfs/dbraw/zinc/05/59/37/918055937.db2.gz XFCCQEDVWSCLON-YPMHNXCESA-N 2 2 294.403 -0.154 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH+](C)Cc1cnnn1C ZINC001485288914 918055951 /nfs/dbraw/zinc/05/59/51/918055951.db2.gz XFCCQEDVWSCLON-YPMHNXCESA-N 2 2 294.403 -0.154 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1CCC[NH+]1C)[N@H+](C)Cc1cnnn1C ZINC001485288914 918055962 /nfs/dbraw/zinc/05/59/62/918055962.db2.gz XFCCQEDVWSCLON-YPMHNXCESA-N 2 2 294.403 -0.154 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1CCC[NH+]1C)[N@@H+](C)Cc1cnnn1C ZINC001485288914 918055979 /nfs/dbraw/zinc/05/59/79/918055979.db2.gz XFCCQEDVWSCLON-YPMHNXCESA-N 2 2 294.403 -0.154 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NC1(CCO)C[NH+](CCCO)C1 ZINC001485425493 918122243 /nfs/dbraw/zinc/12/22/43/918122243.db2.gz LXFJDJWLCOYWJK-UHFFFAOYSA-N 2 2 287.404 -0.738 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NC1(CCO)C[NH+](CCCO)C1 ZINC001485425493 918122249 /nfs/dbraw/zinc/12/22/49/918122249.db2.gz LXFJDJWLCOYWJK-UHFFFAOYSA-N 2 2 287.404 -0.738 20 0 CBADLP CNC(=O)C[NH+]1CC([C@H](C)NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001485516759 918135643 /nfs/dbraw/zinc/13/56/43/918135643.db2.gz LQBVMPUMKAOLAM-NSHDSACASA-N 2 2 296.415 -0.489 20 0 CBADLP CC[N@H+](C)CCC(=O)N[C@H](C)C1C[NH+](CC(N)=O)C1 ZINC001485529819 918140510 /nfs/dbraw/zinc/14/05/10/918140510.db2.gz VNAFAZVXVJOBLS-SNVBAGLBSA-N 2 2 270.377 -0.750 20 0 CBADLP CC[N@@H+](C)CCC(=O)N[C@H](C)C1C[NH+](CC(N)=O)C1 ZINC001485529819 918140519 /nfs/dbraw/zinc/14/05/19/918140519.db2.gz VNAFAZVXVJOBLS-SNVBAGLBSA-N 2 2 270.377 -0.750 20 0 CBADLP CCC[N@H+](C)CCC(=O)N[C@H](C)C1C[NH+](CC(N)=O)C1 ZINC001485532013 918141309 /nfs/dbraw/zinc/14/13/09/918141309.db2.gz CADIGRUBRFCBEV-LLVKDONJSA-N 2 2 284.404 -0.360 20 0 CBADLP CCC[N@@H+](C)CCC(=O)N[C@H](C)C1C[NH+](CC(N)=O)C1 ZINC001485532013 918141327 /nfs/dbraw/zinc/14/13/27/918141327.db2.gz CADIGRUBRFCBEV-LLVKDONJSA-N 2 2 284.404 -0.360 20 0 CBADLP COC[C@H](O)C[NH2+]C[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001485707573 918174650 /nfs/dbraw/zinc/17/46/50/918174650.db2.gz WDCRIVZJDRUFGG-JHJVBQTASA-N 2 2 296.371 -0.625 20 0 CBADLP C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]CC(N)=O ZINC001485886391 918218672 /nfs/dbraw/zinc/21/86/72/918218672.db2.gz VZVHQCPZUZJHIU-IVZWLZJFSA-N 2 2 279.344 -0.565 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@H](C)CN(C)C(=O)CCn1cc[nH+]c1 ZINC001485905873 918222832 /nfs/dbraw/zinc/22/28/32/918222832.db2.gz LJOSFLLNDWGBAR-NEPJUHHUSA-N 2 2 295.387 -0.156 20 0 CBADLP C[C@H](CN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1)[NH2+]CCO ZINC001485893176 918223056 /nfs/dbraw/zinc/22/30/56/918223056.db2.gz IJXVKVZEXHWMCV-VXGBXAGGSA-N 2 2 280.372 -0.126 20 0 CBADLP C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH2+]CCO ZINC001485923950 918231451 /nfs/dbraw/zinc/23/14/51/918231451.db2.gz PPYQTPRIZLWEIK-QJPTWQEYSA-N 2 2 280.372 -0.048 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H](CO)[NH2+]C[C@@H]1CCCOC1 ZINC001486038222 918330653 /nfs/dbraw/zinc/33/06/53/918330653.db2.gz KURFCQDGURIEKN-WCQYABFASA-N 2 2 296.371 -0.555 20 0 CBADLP C[C@H]1C[C@@H]([NH2+]CCCO)CN1C(=O)Cc1c[nH+]cn1C ZINC001486128161 918373575 /nfs/dbraw/zinc/37/35/75/918373575.db2.gz IPLZKTORTQXTLJ-NWDGAFQWSA-N 2 2 280.372 -0.076 20 0 CBADLP CN(C[C@@H](O)C[NH2+]CC1CC1)C(=O)Cc1c[nH+]c[nH]1 ZINC001486301494 918417633 /nfs/dbraw/zinc/41/76/33/918417633.db2.gz PATLNWPORKDBGB-LBPRGKRZSA-N 2 2 266.345 -0.229 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)CC[NH+](C)C ZINC001488651665 918746193 /nfs/dbraw/zinc/74/61/93/918746193.db2.gz AXHVDLBNFGQFQI-NEPJUHHUSA-N 2 2 284.404 -0.395 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)CC[NH+](C)C ZINC001488651665 918746208 /nfs/dbraw/zinc/74/62/08/918746208.db2.gz AXHVDLBNFGQFQI-NEPJUHHUSA-N 2 2 284.404 -0.395 20 0 CBADLP CC[N@H+](C)CCC(=O)N(C)C[C@@H]1CC[NH+]1[C@H](C)C(N)=O ZINC001488676878 918749363 /nfs/dbraw/zinc/74/93/63/918749363.db2.gz LLVPMYRMRVSACK-NEPJUHHUSA-N 2 2 284.404 -0.265 20 0 CBADLP CC[N@@H+](C)CCC(=O)N(C)C[C@@H]1CC[NH+]1[C@H](C)C(N)=O ZINC001488676878 918749375 /nfs/dbraw/zinc/74/93/75/918749375.db2.gz LLVPMYRMRVSACK-NEPJUHHUSA-N 2 2 284.404 -0.265 20 0 CBADLP CC[NH+](C)CCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@H](C)C(N)=O ZINC001488676878 918749388 /nfs/dbraw/zinc/74/93/88/918749388.db2.gz LLVPMYRMRVSACK-NEPJUHHUSA-N 2 2 284.404 -0.265 20 0 CBADLP CC[NH+](C)CCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@H](C)C(N)=O ZINC001488676878 918749400 /nfs/dbraw/zinc/74/94/00/918749400.db2.gz LLVPMYRMRVSACK-NEPJUHHUSA-N 2 2 284.404 -0.265 20 0 CBADLP C[C@@H](O)C[N@@H+]1CC[C@H]1CN(C)C(=O)Cc1c[nH+]cn1C ZINC001488683771 918754700 /nfs/dbraw/zinc/75/47/00/918754700.db2.gz MSQSNUDBOWXLIT-NEPJUHHUSA-N 2 2 280.372 -0.124 20 0 CBADLP C[C@@H](O)C[N@H+]1CC[C@H]1CN(C)C(=O)Cc1c[nH+]cn1C ZINC001488683771 918754713 /nfs/dbraw/zinc/75/47/13/918754713.db2.gz MSQSNUDBOWXLIT-NEPJUHHUSA-N 2 2 280.372 -0.124 20 0 CBADLP C[N@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)CCn1cncn1 ZINC001490263915 918885516 /nfs/dbraw/zinc/88/55/16/918885516.db2.gz JFAFCJJHCMIPKQ-UHFFFAOYSA-N 2 2 291.359 -0.318 20 0 CBADLP C[N@@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)CCn1cncn1 ZINC001490263915 918885528 /nfs/dbraw/zinc/88/55/28/918885528.db2.gz JFAFCJJHCMIPKQ-UHFFFAOYSA-N 2 2 291.359 -0.318 20 0 CBADLP O=C(NC[C@H]([NH2+]CCO)C1CC1)[C@H]1CCn2c[nH+]cc2C1 ZINC001490682288 918961187 /nfs/dbraw/zinc/96/11/87/918961187.db2.gz JCTZUWJDLAIGKF-JSGCOSHPSA-N 2 2 292.383 -0.078 20 0 CBADLP CC[C@@H](C(=O)NCCNC(=O)Cc1[nH]c[nH+]c1C)[NH+](C)C ZINC001491474765 919179218 /nfs/dbraw/zinc/17/92/18/919179218.db2.gz BERVNTSKCFQSOP-LBPRGKRZSA-N 2 2 295.387 -0.167 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)NCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001491502317 919184631 /nfs/dbraw/zinc/18/46/31/919184631.db2.gz QZDFYYCGSQOJES-LLVKDONJSA-N 2 2 279.344 -0.721 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)NCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001491502317 919184640 /nfs/dbraw/zinc/18/46/40/919184640.db2.gz QZDFYYCGSQOJES-LLVKDONJSA-N 2 2 279.344 -0.721 20 0 CBADLP CCN(CC)C(=O)C[NH2+][C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001491591182 919218659 /nfs/dbraw/zinc/21/86/59/919218659.db2.gz TXNIWZXUIPXIEP-LLVKDONJSA-N 2 2 295.387 -0.085 20 0 CBADLP C[C@H](CCNC(=O)CCn1cc[nH+]c1)[NH2+][C@H]1CCNC1=O ZINC001492064361 919320769 /nfs/dbraw/zinc/32/07/69/919320769.db2.gz SWPPIFCVXKBOQA-NEPJUHHUSA-N 2 2 293.371 -0.354 20 0 CBADLP C[C@H](CCNC(=O)CCn1cc[nH+]c1)[NH2+][C@@H]1CCNC1=O ZINC001492064362 919321296 /nfs/dbraw/zinc/32/12/96/919321296.db2.gz SWPPIFCVXKBOQA-VXGBXAGGSA-N 2 2 293.371 -0.354 20 0 CBADLP CCNC(=O)C[NH2+][C@H](C)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001492101606 919324837 /nfs/dbraw/zinc/32/48/37/919324837.db2.gz GUZOPCFZPAQQEW-SNVBAGLBSA-N 2 2 281.360 -0.427 20 0 CBADLP C[C@@H](O)C[N@H+](C)CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001492309056 919389251 /nfs/dbraw/zinc/38/92/51/919389251.db2.gz LVSYHDQOWMMAPY-VXGBXAGGSA-N 2 2 280.372 -0.126 20 0 CBADLP C[C@@H](O)C[N@@H+](C)CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001492309056 919389253 /nfs/dbraw/zinc/38/92/53/919389253.db2.gz LVSYHDQOWMMAPY-VXGBXAGGSA-N 2 2 280.372 -0.126 20 0 CBADLP CO[C@H](C)C[N@H+](C)CCNC(=O)Cn1cc[nH+]c1 ZINC001492893697 919442965 /nfs/dbraw/zinc/44/29/65/919442965.db2.gz APHHVXKXRLKNEL-LLVKDONJSA-N 2 2 254.334 -0.034 20 0 CBADLP CO[C@H](C)C[N@@H+](C)CCNC(=O)Cn1cc[nH+]c1 ZINC001492893697 919442974 /nfs/dbraw/zinc/44/29/74/919442974.db2.gz APHHVXKXRLKNEL-LLVKDONJSA-N 2 2 254.334 -0.034 20 0 CBADLP CN(CC[NH2+]Cc1cnon1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001493501408 919567120 /nfs/dbraw/zinc/56/71/20/919567120.db2.gz URNZNZQPVZJPFC-LLVKDONJSA-N 2 2 267.333 -0.288 20 0 CBADLP CN(CC[NH2+]Cc1cnon1)C(=O)[C@H]1CCC[N@H+]1C ZINC001493501408 919567135 /nfs/dbraw/zinc/56/71/35/919567135.db2.gz URNZNZQPVZJPFC-LLVKDONJSA-N 2 2 267.333 -0.288 20 0 CBADLP CN(CC[NH2+]Cc1cnon1)C(=O)CCC[NH+](C)C ZINC001493674801 919600988 /nfs/dbraw/zinc/60/09/88/919600988.db2.gz GMHJFWOHIMZHIA-UHFFFAOYSA-N 2 2 269.349 -0.041 20 0 CBADLP CN(CC[NH2+]CCn1cncn1)C(=O)Cc1c[nH+]c[nH]1 ZINC001493708138 919607422 /nfs/dbraw/zinc/60/74/22/919607422.db2.gz DCJVRNMJHFSEIY-UHFFFAOYSA-N 2 2 277.332 -0.708 20 0 CBADLP CCCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CC[N@H+](CCO)C1 ZINC001493948604 919635337 /nfs/dbraw/zinc/63/53/37/919635337.db2.gz ODMNNHRUVTXGFS-KGLIPLIRSA-N 2 2 299.415 -0.378 20 0 CBADLP CCCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CC[N@@H+](CCO)C1 ZINC001493948604 919635345 /nfs/dbraw/zinc/63/53/45/919635345.db2.gz ODMNNHRUVTXGFS-KGLIPLIRSA-N 2 2 299.415 -0.378 20 0 CBADLP CCCN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@@H]1CC[NH+](CCO)C1 ZINC001493948604 919635353 /nfs/dbraw/zinc/63/53/53/919635353.db2.gz ODMNNHRUVTXGFS-KGLIPLIRSA-N 2 2 299.415 -0.378 20 0 CBADLP CCCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@@H]1CC[NH+](CCO)C1 ZINC001493948604 919635365 /nfs/dbraw/zinc/63/53/65/919635365.db2.gz ODMNNHRUVTXGFS-KGLIPLIRSA-N 2 2 299.415 -0.378 20 0 CBADLP CC[C@H](C(=O)N[C@H]1CCC[N@@H+]([C@H](C)C(N)=O)C1)[NH+](C)C ZINC001494319563 919673715 /nfs/dbraw/zinc/67/37/15/919673715.db2.gz VJNJAUIYANYVJL-GRYCIOLGSA-N 2 2 284.404 -0.219 20 0 CBADLP CC[C@H](C(=O)N[C@H]1CCC[N@H+]([C@H](C)C(N)=O)C1)[NH+](C)C ZINC001494319563 919673725 /nfs/dbraw/zinc/67/37/25/919673725.db2.gz VJNJAUIYANYVJL-GRYCIOLGSA-N 2 2 284.404 -0.219 20 0 CBADLP O=C(CCn1cc[nH+]c1)NCC1C[NH+](CCO)C1 ZINC001494577389 919740576 /nfs/dbraw/zinc/74/05/76/919740576.db2.gz UAACYFDFUXVFPQ-UHFFFAOYSA-N 2 2 252.318 -0.687 20 0 CBADLP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCOCCO)[NH+](C)C ZINC001494658725 919765221 /nfs/dbraw/zinc/76/52/21/919765221.db2.gz PTOVIFMUHITJQO-MELADBBJSA-N 2 2 299.415 -0.379 20 0 CBADLP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCOCCO)[NH+](C)C ZINC001494658725 919765235 /nfs/dbraw/zinc/76/52/35/919765235.db2.gz PTOVIFMUHITJQO-MELADBBJSA-N 2 2 299.415 -0.379 20 0 CBADLP COCC[NH2+]C[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001495769771 919941721 /nfs/dbraw/zinc/94/17/21/919941721.db2.gz FVENFSPUVBXULX-JTQLQIEISA-N 2 2 254.334 -0.060 20 0 CBADLP COCCC[N@@H+]1CCO[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001495887943 919978291 /nfs/dbraw/zinc/97/82/91/919978291.db2.gz ZHRFHWZVCCYHEL-ZDUSSCGKSA-N 2 2 296.371 -0.263 20 0 CBADLP COCCC[N@H+]1CCO[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001495887943 919978298 /nfs/dbraw/zinc/97/82/98/919978298.db2.gz ZHRFHWZVCCYHEL-ZDUSSCGKSA-N 2 2 296.371 -0.263 20 0 CBADLP CC[C@@H]([NH2+]C[C@H](C)N(C)C(=O)Cn1cc[nH+]c1)C(N)=O ZINC001496241702 920053502 /nfs/dbraw/zinc/05/35/02/920053502.db2.gz CDRQLXRNANITOU-WDEREUQCSA-N 2 2 281.360 -0.417 20 0 CBADLP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC001496375198 920063630 /nfs/dbraw/zinc/06/36/30/920063630.db2.gz KZKMSEUOSMTJLL-NWDGAFQWSA-N 2 2 293.371 -0.544 20 0 CBADLP CC[N@H+](C)CCC(=O)N(C)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001496459220 920071724 /nfs/dbraw/zinc/07/17/24/920071724.db2.gz HJKUUEVKUVEBSO-UHFFFAOYSA-N 2 2 295.387 -0.131 20 0 CBADLP CC[N@@H+](C)CCC(=O)N(C)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001496459220 920071737 /nfs/dbraw/zinc/07/17/37/920071737.db2.gz HJKUUEVKUVEBSO-UHFFFAOYSA-N 2 2 295.387 -0.131 20 0 CBADLP C[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)[C@@H]1C[NH2+]CC(N)=O ZINC001496489083 920076655 /nfs/dbraw/zinc/07/66/55/920076655.db2.gz RIVXSRYKSCNZNU-GHMZBOCLSA-N 2 2 293.371 -0.346 20 0 CBADLP CN(CC[N@H+](C)CC(N)=O)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001496816010 920133800 /nfs/dbraw/zinc/13/38/00/920133800.db2.gz ATHPWEVYEVWIBZ-CHWSQXEVSA-N 2 2 298.431 -0.018 20 0 CBADLP CN(CC[N@@H+](C)CC(N)=O)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001496816010 920133811 /nfs/dbraw/zinc/13/38/11/920133811.db2.gz ATHPWEVYEVWIBZ-CHWSQXEVSA-N 2 2 298.431 -0.018 20 0 CBADLP C[C@@H](CC[NH2+]CC(N)=O)NC(=O)c1cccc2[nH+]ccn21 ZINC001497226633 920275341 /nfs/dbraw/zinc/27/53/41/920275341.db2.gz ARHHNCGDGLEOMD-JTQLQIEISA-N 2 2 289.339 -0.082 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]CC[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001497336684 920283750 /nfs/dbraw/zinc/28/37/50/920283750.db2.gz IBJDHHCSNLXCRS-GHMZBOCLSA-N 2 2 281.360 -0.498 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]C/C=C\CNC(=O)CCn1cc[nH+]c1 ZINC001497644583 920359909 /nfs/dbraw/zinc/35/99/09/920359909.db2.gz NHCGXPURQPGXFZ-MVZIDQBPSA-N 2 2 293.371 -0.330 20 0 CBADLP CN1CC[C@H]([NH2+]C/C=C/CNC(=O)Cc2[nH]cc[nH+]2)C1=O ZINC001497713283 920374497 /nfs/dbraw/zinc/37/44/97/920374497.db2.gz GBDVAEZVIXMMEE-VUDBWIFFSA-N 2 2 291.355 -0.555 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC/C=C/C[NH2+]CCCO ZINC001497734584 920375120 /nfs/dbraw/zinc/37/51/20/920375120.db2.gz OKQSIPBCFXCPDW-NSCUHMNNSA-N 2 2 266.345 -0.095 20 0 CBADLP CC[C@H]([NH2+]C/C=C\CNC(=O)Cc1[nH]cc[nH+]1)C(N)=O ZINC001497716372 920375287 /nfs/dbraw/zinc/37/52/87/920375287.db2.gz XWZWCFOEZIVUIY-XOULXFPDSA-N 2 2 279.344 -0.522 20 0 CBADLP C[C@H](C[NH2+][C@H](C)C(N)=O)NC(=O)c1cccc2[nH+]ccn21 ZINC001497854247 920410472 /nfs/dbraw/zinc/41/04/72/920410472.db2.gz ZUKYZVDTIKLLNE-NXEZZACHSA-N 2 2 289.339 -0.084 20 0 CBADLP C[C@H](C[NH2+]Cc1ccnn1C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001497948889 920424651 /nfs/dbraw/zinc/42/46/51/920424651.db2.gz RJLMDLSFTDMOOW-SNVBAGLBSA-N 2 2 276.344 -0.020 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001498052038 920464174 /nfs/dbraw/zinc/46/41/74/920464174.db2.gz FSFMGGOGLPXYBJ-UWVGGRQHSA-N 2 2 281.360 -0.429 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001498052038 920464181 /nfs/dbraw/zinc/46/41/81/920464181.db2.gz FSFMGGOGLPXYBJ-UWVGGRQHSA-N 2 2 281.360 -0.429 20 0 CBADLP C[C@@H]([NH2+]C[C@H](C)NC(=O)Cn1cc[nH+]c1)C(=O)N(C)C ZINC001498206963 920517247 /nfs/dbraw/zinc/51/72/47/920517247.db2.gz ILYYYKXHYLNDOJ-WDEREUQCSA-N 2 2 281.360 -0.546 20 0 CBADLP C[C@@H](C[N@H+](C)CCO)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001498323286 920551639 /nfs/dbraw/zinc/55/16/39/920551639.db2.gz MPNDRVHSBMUGJK-RYUDHWBXSA-N 2 2 280.372 -0.126 20 0 CBADLP C[C@@H](C[N@@H+](C)CCO)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001498323286 920551651 /nfs/dbraw/zinc/55/16/51/920551651.db2.gz MPNDRVHSBMUGJK-RYUDHWBXSA-N 2 2 280.372 -0.126 20 0 CBADLP C[C@@H](O)C[N@H+](C)C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001498393304 920574706 /nfs/dbraw/zinc/57/47/06/920574706.db2.gz SVLOOIHUZNSEFA-VHSXEESVSA-N 2 2 254.334 -0.231 20 0 CBADLP C[C@@H](O)C[N@@H+](C)C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001498393304 920574721 /nfs/dbraw/zinc/57/47/21/920574721.db2.gz SVLOOIHUZNSEFA-VHSXEESVSA-N 2 2 254.334 -0.231 20 0 CBADLP C[C@H](C[N@@H+](C)C[C@H](C)O)NC(=O)Cc1c[nH]c[nH+]1 ZINC001498393306 920575103 /nfs/dbraw/zinc/57/51/03/920575103.db2.gz SVLOOIHUZNSEFA-ZJUUUORDSA-N 2 2 254.334 -0.231 20 0 CBADLP C[C@H](C[N@H+](C)C[C@H](C)O)NC(=O)Cc1c[nH]c[nH+]1 ZINC001498393306 920575119 /nfs/dbraw/zinc/57/51/19/920575119.db2.gz SVLOOIHUZNSEFA-ZJUUUORDSA-N 2 2 254.334 -0.231 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@@H](C)C[N@H+](C)[C@@H](C)C(N)=O ZINC001498460371 920594036 /nfs/dbraw/zinc/59/40/36/920594036.db2.gz ZJSQRGKVGRDCQH-UWVGGRQHSA-N 2 2 281.360 -0.498 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@@H](C)C[N@@H+](C)[C@@H](C)C(N)=O ZINC001498460371 920594047 /nfs/dbraw/zinc/59/40/47/920594047.db2.gz ZJSQRGKVGRDCQH-UWVGGRQHSA-N 2 2 281.360 -0.498 20 0 CBADLP O=C(CCn1cc[nH+]c1)NC[C@H]1CC[N@H+]1CCCO ZINC001499032020 920686333 /nfs/dbraw/zinc/68/63/33/920686333.db2.gz ZKFFXZHCNWENMO-GFCCVEGCSA-N 2 2 266.345 -0.154 20 0 CBADLP O=C(CCn1cc[nH+]c1)NC[C@H]1CC[N@@H+]1CCCO ZINC001499032020 920686341 /nfs/dbraw/zinc/68/63/41/920686341.db2.gz ZKFFXZHCNWENMO-GFCCVEGCSA-N 2 2 266.345 -0.154 20 0 CBADLP C[NH+](C)CCCC(=O)NC[C@@H]1CC[N@@H+]1[C@@H]1CCNC1=O ZINC001499047331 920689247 /nfs/dbraw/zinc/68/92/47/920689247.db2.gz FWHKSCYKUMIWMM-NWDGAFQWSA-N 2 2 282.388 -0.593 20 0 CBADLP C[NH+](C)CCCC(=O)NC[C@@H]1CC[N@H+]1[C@@H]1CCNC1=O ZINC001499047331 920689257 /nfs/dbraw/zinc/68/92/57/920689257.db2.gz FWHKSCYKUMIWMM-NWDGAFQWSA-N 2 2 282.388 -0.593 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)NCC1([NH2+]CCO)CC1 ZINC001499298694 920732770 /nfs/dbraw/zinc/73/27/70/920732770.db2.gz DJMWBBOGFUBCDU-UHFFFAOYSA-N 2 2 266.345 -0.417 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)N(C)C2C[NH+](CCCOC)C2)C1 ZINC001499790021 920774524 /nfs/dbraw/zinc/77/45/24/920774524.db2.gz AROXMYFUCPJVHC-AWEZNQCLSA-N 2 2 299.415 -0.114 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)N(C)C2C[NH+](CCCOC)C2)C1 ZINC001499790021 920774538 /nfs/dbraw/zinc/77/45/38/920774538.db2.gz AROXMYFUCPJVHC-AWEZNQCLSA-N 2 2 299.415 -0.114 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CC[C@](C)(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001500282030 920827435 /nfs/dbraw/zinc/82/74/35/920827435.db2.gz YTKSFYDABRXMMP-YGRLFVJLSA-N 2 2 293.371 -0.583 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CC[C@](C)(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001500282030 920827443 /nfs/dbraw/zinc/82/74/43/920827443.db2.gz YTKSFYDABRXMMP-YGRLFVJLSA-N 2 2 293.371 -0.583 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@](C)(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001500282026 920827678 /nfs/dbraw/zinc/82/76/78/920827678.db2.gz YTKSFYDABRXMMP-HZMBPMFUSA-N 2 2 293.371 -0.583 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CC[C@](C)(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001500282026 920827689 /nfs/dbraw/zinc/82/76/89/920827689.db2.gz YTKSFYDABRXMMP-HZMBPMFUSA-N 2 2 293.371 -0.583 20 0 CBADLP CCOCC[N@@H+]1CC[C@](O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001500732032 920872836 /nfs/dbraw/zinc/87/28/36/920872836.db2.gz AZJPGQFQYAWSSO-AWEZNQCLSA-N 2 2 296.371 -0.458 20 0 CBADLP CCOCC[N@H+]1CC[C@](O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001500732032 920872849 /nfs/dbraw/zinc/87/28/49/920872849.db2.gz AZJPGQFQYAWSSO-AWEZNQCLSA-N 2 2 296.371 -0.458 20 0 CBADLP C[C@@H](F)CC[NH+]1CC(O)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001500806270 920893968 /nfs/dbraw/zinc/89/39/68/920893968.db2.gz MFIORZCRWZEWIA-NEPJUHHUSA-N 2 2 287.379 -0.008 20 0 CBADLP C[C@@H](F)CC[NH+]1CC(O)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001500806270 920893975 /nfs/dbraw/zinc/89/39/75/920893975.db2.gz MFIORZCRWZEWIA-NEPJUHHUSA-N 2 2 287.379 -0.008 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NCC1(O)C[NH+](CC2CCC2)C1 ZINC001500965296 920927855 /nfs/dbraw/zinc/92/78/55/920927855.db2.gz LKFWSXBAHAEJCK-UHFFFAOYSA-N 2 2 292.383 -0.074 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N(CCO)CC[NH2+]CC1CC1 ZINC001501506004 921034233 /nfs/dbraw/zinc/03/42/33/921034233.db2.gz IZWDCPIZFOQKOV-UHFFFAOYSA-N 2 2 280.372 -0.217 20 0 CBADLP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2COCC[NH+]2CCCO)C1 ZINC001501838797 921067293 /nfs/dbraw/zinc/06/72/93/921067293.db2.gz PVOLKBXZJQPBOH-UONOGXRCSA-N 2 2 299.415 -0.472 20 0 CBADLP C[N@H+]1CC[C@@H](CC(=O)NC[C@@H]2COCC[NH+]2CCCO)C1 ZINC001501838797 921067304 /nfs/dbraw/zinc/06/73/04/921067304.db2.gz PVOLKBXZJQPBOH-UONOGXRCSA-N 2 2 299.415 -0.472 20 0 CBADLP C[NH+]1CC[C@@H](CC(=O)NC[C@@H]2COCC[N@@H+]2CCCO)C1 ZINC001501838797 921067314 /nfs/dbraw/zinc/06/73/14/921067314.db2.gz PVOLKBXZJQPBOH-UONOGXRCSA-N 2 2 299.415 -0.472 20 0 CBADLP C[NH+]1CC[C@@H](CC(=O)NC[C@@H]2COCC[N@H+]2CCCO)C1 ZINC001501838797 921067323 /nfs/dbraw/zinc/06/73/23/921067323.db2.gz PVOLKBXZJQPBOH-UONOGXRCSA-N 2 2 299.415 -0.472 20 0 CBADLP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2COCC[NH+]2CCCO)C1 ZINC001501838798 921067437 /nfs/dbraw/zinc/06/74/37/921067437.db2.gz PVOLKBXZJQPBOH-ZIAGYGMSSA-N 2 2 299.415 -0.472 20 0 CBADLP C[N@H+]1CC[C@H](CC(=O)NC[C@@H]2COCC[NH+]2CCCO)C1 ZINC001501838798 921067447 /nfs/dbraw/zinc/06/74/47/921067447.db2.gz PVOLKBXZJQPBOH-ZIAGYGMSSA-N 2 2 299.415 -0.472 20 0 CBADLP C[NH+]1CC[C@H](CC(=O)NC[C@@H]2COCC[N@@H+]2CCCO)C1 ZINC001501838798 921067459 /nfs/dbraw/zinc/06/74/59/921067459.db2.gz PVOLKBXZJQPBOH-ZIAGYGMSSA-N 2 2 299.415 -0.472 20 0 CBADLP C[NH+]1CC[C@H](CC(=O)NC[C@@H]2COCC[N@H+]2CCCO)C1 ZINC001501838798 921067471 /nfs/dbraw/zinc/06/74/71/921067471.db2.gz PVOLKBXZJQPBOH-ZIAGYGMSSA-N 2 2 299.415 -0.472 20 0 CBADLP CC(C)[NH+](C)CC(=O)NC[C@@H]1COCC[N@H+]1C[C@H](C)O ZINC001501848198 921069568 /nfs/dbraw/zinc/06/95/68/921069568.db2.gz IRYIRIZVDMRMNL-QWHCGFSZSA-N 2 2 287.404 -0.476 20 0 CBADLP CC(C)[NH+](C)CC(=O)NC[C@@H]1COCC[N@@H+]1C[C@H](C)O ZINC001501848198 921069589 /nfs/dbraw/zinc/06/95/89/921069589.db2.gz IRYIRIZVDMRMNL-QWHCGFSZSA-N 2 2 287.404 -0.476 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1COCC[NH+]1C[C@H](C)O ZINC001501848198 921069600 /nfs/dbraw/zinc/06/96/00/921069600.db2.gz IRYIRIZVDMRMNL-QWHCGFSZSA-N 2 2 287.404 -0.476 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NC[C@@H]1COCC[NH+]1C[C@H](C)O ZINC001501848198 921069612 /nfs/dbraw/zinc/06/96/12/921069612.db2.gz IRYIRIZVDMRMNL-QWHCGFSZSA-N 2 2 287.404 -0.476 20 0 CBADLP C[C@H]1[C@H](NC(=O)C[NH+](C)C2CCC2)CCC[N@@H+]1CC(N)=O ZINC001507376425 921816150 /nfs/dbraw/zinc/81/61/50/921816150.db2.gz PZOGIUNNYTWWBB-WCQYABFASA-N 2 2 296.415 -0.075 20 0 CBADLP C[C@H]1[C@H](NC(=O)C[NH+](C)C2CCC2)CCC[N@H+]1CC(N)=O ZINC001507376425 921816155 /nfs/dbraw/zinc/81/61/55/921816155.db2.gz PZOGIUNNYTWWBB-WCQYABFASA-N 2 2 296.415 -0.075 20 0 CBADLP C[C@H]1[C@H](NC(=O)C[N@H+](C)C2CCC2)CCC[NH+]1CC(N)=O ZINC001507376425 921816163 /nfs/dbraw/zinc/81/61/63/921816163.db2.gz PZOGIUNNYTWWBB-WCQYABFASA-N 2 2 296.415 -0.075 20 0 CBADLP C[C@H]1[C@H](NC(=O)C[N@@H+](C)C2CCC2)CCC[NH+]1CC(N)=O ZINC001507376425 921816171 /nfs/dbraw/zinc/81/61/71/921816171.db2.gz PZOGIUNNYTWWBB-WCQYABFASA-N 2 2 296.415 -0.075 20 0 CBADLP C[C@@H]1[C@H](NC(=O)C[NH+](C)C2CCC2)CCC[N@@H+]1CC(N)=O ZINC001507376424 921817174 /nfs/dbraw/zinc/81/71/74/921817174.db2.gz PZOGIUNNYTWWBB-DGCLKSJQSA-N 2 2 296.415 -0.075 20 0 CBADLP C[C@@H]1[C@H](NC(=O)C[NH+](C)C2CCC2)CCC[N@H+]1CC(N)=O ZINC001507376424 921817189 /nfs/dbraw/zinc/81/71/89/921817189.db2.gz PZOGIUNNYTWWBB-DGCLKSJQSA-N 2 2 296.415 -0.075 20 0 CBADLP C[C@@H]1[C@H](NC(=O)C[N@H+](C)C2CCC2)CCC[NH+]1CC(N)=O ZINC001507376424 921817205 /nfs/dbraw/zinc/81/72/05/921817205.db2.gz PZOGIUNNYTWWBB-DGCLKSJQSA-N 2 2 296.415 -0.075 20 0 CBADLP C[C@@H]1[C@H](NC(=O)C[N@@H+](C)C2CCC2)CCC[NH+]1CC(N)=O ZINC001507376424 921817219 /nfs/dbraw/zinc/81/72/19/921817219.db2.gz PZOGIUNNYTWWBB-DGCLKSJQSA-N 2 2 296.415 -0.075 20 0 CBADLP C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC001515356299 922233272 /nfs/dbraw/zinc/23/32/72/922233272.db2.gz BEUOGUYVEMGIAA-FIQHERPVSA-N 2 2 256.394 -0.280 20 0 CBADLP C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC001515356299 922233282 /nfs/dbraw/zinc/23/32/82/922233282.db2.gz BEUOGUYVEMGIAA-FIQHERPVSA-N 2 2 256.394 -0.280 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001515911113 922246563 /nfs/dbraw/zinc/24/65/63/922246563.db2.gz CHAKRVGNVWLZSH-WUHRBBMRSA-N 2 2 267.373 -0.369 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CON)C2)CC1 ZINC001521482235 922360848 /nfs/dbraw/zinc/36/08/48/922360848.db2.gz IZEURWPBTNUHKV-SNVBAGLBSA-N 2 2 256.350 -0.839 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CON)C2)CC1 ZINC001521482235 922360862 /nfs/dbraw/zinc/36/08/62/922360862.db2.gz IZEURWPBTNUHKV-SNVBAGLBSA-N 2 2 256.350 -0.839 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1COC2(C[NH2+]C2)C1 ZINC001521975333 922395224 /nfs/dbraw/zinc/39/52/24/922395224.db2.gz RWEPDEJTNXEQEM-VIFPVBQESA-N 2 2 250.302 -0.492 20 0 CBADLP [NH3+][C@@H](CC(=O)NCC1([NH3+])CCOCC1)C(F)F ZINC001522170323 922401516 /nfs/dbraw/zinc/40/15/16/922401516.db2.gz FBPCMSJLURSEPB-ZETCQYMHSA-N 2 2 251.277 -0.407 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)NCCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001522866098 922542770 /nfs/dbraw/zinc/54/27/70/922542770.db2.gz YNZIUKJVJDPKFC-LLVKDONJSA-N 2 2 293.371 -0.331 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)NCCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001522866098 922542787 /nfs/dbraw/zinc/54/27/87/922542787.db2.gz YNZIUKJVJDPKFC-LLVKDONJSA-N 2 2 293.371 -0.331 20 0 CBADLP C[NH+](C)CCC(=O)NCCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001522986607 922555793 /nfs/dbraw/zinc/55/57/93/922555793.db2.gz QASBCUZHOILSGI-UHFFFAOYSA-N 2 2 281.360 -0.474 20 0 CBADLP CC[C@@H](CO)[NH+]1CCN(c2cc(N)[nH+]cn2)CC1 ZINC001548511544 923360552 /nfs/dbraw/zinc/36/05/52/923360552.db2.gz MBGZMPYVZFUMEN-JTQLQIEISA-N 2 2 251.334 -0.048 20 0 CBADLP CCOCC[NH+]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CCO3)CC1 ZINC001548547477 923370876 /nfs/dbraw/zinc/37/08/76/923370876.db2.gz GKPHAFBQFXXTMH-HIFRSBDPSA-N 2 2 297.399 -0.454 20 0 CBADLP CN1CC[NH2+]C[C@H]1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC001548560388 923384529 /nfs/dbraw/zinc/38/45/29/923384529.db2.gz WYOAAFCCUBQWAP-STQMWFEESA-N 2 2 289.383 -0.320 20 0 CBADLP [NH3+]C[C@@H](O)CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001548570389 923393245 /nfs/dbraw/zinc/39/32/45/923393245.db2.gz FWFYLVJQWATPKE-NEPJUHHUSA-N 2 2 271.361 -0.934 20 0 CBADLP [NH3+]C[C@@H](O)CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001548570389 923393257 /nfs/dbraw/zinc/39/32/57/923393257.db2.gz FWFYLVJQWATPKE-NEPJUHHUSA-N 2 2 271.361 -0.934 20 0 CBADLP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001548715089 923469178 /nfs/dbraw/zinc/46/91/78/923469178.db2.gz JPVIIYOERUYCCM-BYNQJWBRSA-N 2 2 289.383 -0.220 20 0 CBADLP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001548715089 923469186 /nfs/dbraw/zinc/46/91/86/923469186.db2.gz JPVIIYOERUYCCM-BYNQJWBRSA-N 2 2 289.383 -0.220 20 0 CBADLP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC001548713636 923470565 /nfs/dbraw/zinc/47/05/65/923470565.db2.gz JICWQXADSPXZCD-NQBHXWOUSA-N 2 2 275.356 -0.688 20 0 CBADLP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC001548713636 923470569 /nfs/dbraw/zinc/47/05/69/923470569.db2.gz JICWQXADSPXZCD-NQBHXWOUSA-N 2 2 275.356 -0.688 20 0 CBADLP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC001548713643 923471958 /nfs/dbraw/zinc/47/19/58/923471958.db2.gz JICWQXADSPXZCD-WZRBSPASSA-N 2 2 275.356 -0.688 20 0 CBADLP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC001548713643 923471970 /nfs/dbraw/zinc/47/19/70/923471970.db2.gz JICWQXADSPXZCD-WZRBSPASSA-N 2 2 275.356 -0.688 20 0 CBADLP O=C(c1n[nH]c2c1C[NH2+]CC2)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC001549044985 923537056 /nfs/dbraw/zinc/53/70/56/923537056.db2.gz NEYGLMHZWYNADQ-RYUDHWBXSA-N 2 2 291.355 -0.742 20 0 CBADLP Cn1cc([C@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@@H]2[NH3+])cn1 ZINC001549074346 923553791 /nfs/dbraw/zinc/55/37/91/923553791.db2.gz RYVVEHNQZCVATF-OLZOCXBDSA-N 2 2 288.355 -0.040 20 0 CBADLP C[NH+](C)[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1n1ccnn1 ZINC001549672551 923627902 /nfs/dbraw/zinc/62/79/02/923627902.db2.gz QYZGXGODYNHPMZ-VXGBXAGGSA-N 2 2 289.343 -0.512 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001550060625 923664076 /nfs/dbraw/zinc/66/40/76/923664076.db2.gz PDVILKFLYSGRBX-GFCCVEGCSA-N 2 2 277.372 -0.233 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]([NH3+])[C@@H](c2cnn(C)c2)C1 ZINC001550068317 923665816 /nfs/dbraw/zinc/66/58/16/923665816.db2.gz YZQXNVAUEIGSMC-VXGBXAGGSA-N 2 2 288.355 -0.053 20 0 CBADLP C[C@H](C(=O)NCC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[NH2+]CC1=O ZINC001550104477 923684264 /nfs/dbraw/zinc/68/42/64/923684264.db2.gz FIMQSNIHIVHWFJ-ODWCKFRGSA-N 2 2 294.399 -0.547 20 0 CBADLP C[C@@H]1C[N@H+](CCN2C[C@H]3CCC[NH+]3C[C@H]2CO)CCO1 ZINC001550145067 923701729 /nfs/dbraw/zinc/70/17/29/923701729.db2.gz LNDBKAGUJHXCAN-KFWWJZLASA-N 2 2 283.416 -0.152 20 0 CBADLP C[C@@H]1C[N@@H+](CCN2C[C@H]3CCC[NH+]3C[C@H]2CO)CCO1 ZINC001550145067 923701747 /nfs/dbraw/zinc/70/17/47/923701747.db2.gz LNDBKAGUJHXCAN-KFWWJZLASA-N 2 2 283.416 -0.152 20 0 CBADLP C[C@@H]1C[NH+](CCN2C[C@H]3CCC[N@@H+]3C[C@H]2CO)CCO1 ZINC001550145067 923701761 /nfs/dbraw/zinc/70/17/61/923701761.db2.gz LNDBKAGUJHXCAN-KFWWJZLASA-N 2 2 283.416 -0.152 20 0 CBADLP C[C@@H]1C[NH+](CCN2C[C@H]3CCC[N@H+]3C[C@H]2CO)CCO1 ZINC001550145067 923701772 /nfs/dbraw/zinc/70/17/72/923701772.db2.gz LNDBKAGUJHXCAN-KFWWJZLASA-N 2 2 283.416 -0.152 20 0 CBADLP C[C@H](C(=O)N1CC[NH2+]CCC12CCC2)N1CC[NH2+]CC1=O ZINC001550204694 923710939 /nfs/dbraw/zinc/71/09/39/923710939.db2.gz WEQGBYGFRMZVCO-GFCCVEGCSA-N 2 2 294.399 -0.449 20 0 CBADLP CC[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@]12COCCN1C(=O)COC2 ZINC001550474935 923728772 /nfs/dbraw/zinc/72/87/72/923728772.db2.gz WFEUCWJDPDPDDR-GZBFAFLISA-N 2 2 297.399 -0.266 20 0 CBADLP O=C(C[N@@H+]1CCOC[C@H]1C[C@H]1CCOC1)N1CC[NH2+]CC1 ZINC001551394665 923771648 /nfs/dbraw/zinc/77/16/48/923771648.db2.gz AHEUSAWBIAAOLC-ZIAGYGMSSA-N 2 2 297.399 -0.454 20 0 CBADLP O=C(C[N@H+]1CCOC[C@H]1C[C@H]1CCOC1)N1CC[NH2+]CC1 ZINC001551394665 923771653 /nfs/dbraw/zinc/77/16/53/923771653.db2.gz AHEUSAWBIAAOLC-ZIAGYGMSSA-N 2 2 297.399 -0.454 20 0 CBADLP O=C(C[N@@H+]1CCOC[C@@H]1C[C@H]1CCOC1)N1CC[NH2+]CC1 ZINC001551394662 923775033 /nfs/dbraw/zinc/77/50/33/923775033.db2.gz AHEUSAWBIAAOLC-KGLIPLIRSA-N 2 2 297.399 -0.454 20 0 CBADLP O=C(C[N@H+]1CCOC[C@@H]1C[C@H]1CCOC1)N1CC[NH2+]CC1 ZINC001551394662 923775042 /nfs/dbraw/zinc/77/50/42/923775042.db2.gz AHEUSAWBIAAOLC-KGLIPLIRSA-N 2 2 297.399 -0.454 20 0 CBADLP [NH3+][C@@H]1CC12CC(NC(=O)N1CC[NH+]([C@@H]3CCOC3)CC1)C2 ZINC001551573476 923803953 /nfs/dbraw/zinc/80/39/53/923803953.db2.gz FHMAGCKWLWDOLE-DNCHLWJUSA-N 2 2 294.399 -0.018 20 0 CBADLP C[N@@H+]1CCO[C@@H](CNC(=O)NC2CC3(C[C@@H]3[NH3+])C2)C1 ZINC001551590479 923808403 /nfs/dbraw/zinc/80/84/03/923808403.db2.gz OQEKRAKICQWWLO-ZRZGDYATSA-N 2 2 268.361 -0.504 20 0 CBADLP C[N@H+]1CCO[C@@H](CNC(=O)NC2CC3(C[C@@H]3[NH3+])C2)C1 ZINC001551590479 923808414 /nfs/dbraw/zinc/80/84/14/923808414.db2.gz OQEKRAKICQWWLO-ZRZGDYATSA-N 2 2 268.361 -0.504 20 0 CBADLP CC(C)(CNC(=O)[C@@]12C[NH2+]C[C@@H]1COC2)[NH+]1CCOCC1 ZINC001552199836 923855280 /nfs/dbraw/zinc/85/52/80/923855280.db2.gz KRGAXANBXFGHEK-IUODEOHRSA-N 2 2 297.399 -0.551 20 0 CBADLP O=C(N[C@@H]1C[NH2+]CC(F)(F)C1)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552204628 923865476 /nfs/dbraw/zinc/86/54/76/923865476.db2.gz STNDGLMUIAJNMD-WCABBAIRSA-N 2 2 275.299 -0.664 20 0 CBADLP C[N@@H+]1CCO[C@@H]2CCN(C(=O)[C@]34C[NH2+]C[C@@H]3COC4)C[C@@H]21 ZINC001552205394 923867877 /nfs/dbraw/zinc/86/78/77/923867877.db2.gz XORFFRKWWPTMTN-COMQUAJESA-N 2 2 295.383 -0.846 20 0 CBADLP C[N@H+]1CCO[C@@H]2CCN(C(=O)[C@]34C[NH2+]C[C@@H]3COC4)C[C@@H]21 ZINC001552205394 923867882 /nfs/dbraw/zinc/86/78/82/923867882.db2.gz XORFFRKWWPTMTN-COMQUAJESA-N 2 2 295.383 -0.846 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@]23C[NH2+]C[C@@H]2COC3)[C@@H](C)CO1 ZINC001552218070 923872203 /nfs/dbraw/zinc/87/22/03/923872203.db2.gz LBOCCGLLMHHXQF-JLNYLFASSA-N 2 2 297.399 -0.552 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@]23C[NH2+]C[C@@H]2COC3)[C@@H](C)CO1 ZINC001552218070 923872211 /nfs/dbraw/zinc/87/22/11/923872211.db2.gz LBOCCGLLMHHXQF-JLNYLFASSA-N 2 2 297.399 -0.552 20 0 CBADLP C[C@@H]([NH3+])CCNC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC001552290811 923883421 /nfs/dbraw/zinc/88/34/21/923883421.db2.gz KGVAIZIXJMFRRL-UTUOFQBUSA-N 2 2 270.377 -0.114 20 0 CBADLP C[C@@H]([NH3+])CCNC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC001552290811 923883437 /nfs/dbraw/zinc/88/34/37/923883437.db2.gz KGVAIZIXJMFRRL-UTUOFQBUSA-N 2 2 270.377 -0.114 20 0 CBADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCC1([NH3+])CC1 ZINC001552353716 923891359 /nfs/dbraw/zinc/89/13/59/923891359.db2.gz POKWUXFJUDGOFI-VXGBXAGGSA-N 2 2 282.388 -0.018 20 0 CBADLP C[N@@H+]1CCN(Cc2cnn3c2C[NH2+]CC3)[C@@H](C[NH3+])C1 ZINC001552686949 923917302 /nfs/dbraw/zinc/91/73/02/923917302.db2.gz JPFMLKJSLSWISK-LBPRGKRZSA-N 3 2 264.377 -0.939 20 0 CBADLP C[N@H+]1CCN(Cc2cnn3c2C[NH2+]CC3)[C@@H](C[NH3+])C1 ZINC001552686949 923917315 /nfs/dbraw/zinc/91/73/15/923917315.db2.gz JPFMLKJSLSWISK-LBPRGKRZSA-N 3 2 264.377 -0.939 20 0 CBADLP [NH3+][C@H]1C[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1n1ccnn1 ZINC001552973406 923931237 /nfs/dbraw/zinc/93/12/37/923931237.db2.gz DJYFPDSRUXFHJS-GTGGMXTKSA-N 3 2 276.388 -0.007 20 0 CBADLP [NH3+][C@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1n1ccnn1 ZINC001552973406 923931247 /nfs/dbraw/zinc/93/12/47/923931247.db2.gz DJYFPDSRUXFHJS-GTGGMXTKSA-N 3 2 276.388 -0.007 20 0 CBADLP C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C[NH+]3CCOCC3)O2)C1 ZINC001553351563 923953078 /nfs/dbraw/zinc/95/30/78/923953078.db2.gz ZDEDVEUKDSAIPH-HZSPNIEDSA-N 2 2 297.399 -0.314 20 0 CBADLP O=C(N[C@@H]1CCC[NH2+]C1)[C@@H]1CC[C@@H](C[NH+]2CCOCC2)O1 ZINC001553350844 923954144 /nfs/dbraw/zinc/95/41/44/923954144.db2.gz JRGRICOKNQQUEZ-RDBSUJKOSA-N 2 2 297.399 -0.266 20 0 CBADLP CC(C)([NH3+])CNC(=O)[C@@H]1CC[C@@H](C[NH+]2CCOCC2)O1 ZINC001553356136 923960532 /nfs/dbraw/zinc/96/05/32/923960532.db2.gz DUZHRJOMSLDPPQ-RYUDHWBXSA-N 2 2 285.388 -0.280 20 0 CBADLP O=C(NCCn1cc[nH+]c1)[C@@H]1C[C@H]2OCC[C@H]2[NH2+]1 ZINC001553404132 923977949 /nfs/dbraw/zinc/97/79/49/923977949.db2.gz CJJNMKMFZFNZIC-OUAUKWLOSA-N 2 2 250.302 -0.481 20 0 CBADLP O=C([C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC001553406196 923981832 /nfs/dbraw/zinc/98/18/32/923981832.db2.gz DJWQMIMBJHEVRV-XUXIUFHCSA-N 2 2 295.383 -0.561 20 0 CBADLP CC(C)(CNC(=O)[C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1)[NH+]1CCOCC1 ZINC001553409623 923983132 /nfs/dbraw/zinc/98/31/32/923983132.db2.gz NWVJVOKIEYELCY-AGIUHOORSA-N 2 2 297.399 -0.267 20 0 CBADLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1 ZINC001553412332 923987273 /nfs/dbraw/zinc/98/72/73/923987273.db2.gz ODRAONGQSIWUSL-AVGNSLFASA-N 2 2 297.399 -0.267 20 0 CBADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1 ZINC001553412332 923987282 /nfs/dbraw/zinc/98/72/82/923987282.db2.gz ODRAONGQSIWUSL-AVGNSLFASA-N 2 2 297.399 -0.267 20 0 CBADLP C[C@H](CNC(=O)N1C[C@@H]2[C@@H](C[NH3+])[C@@H]2C1)[NH+]1CCOCC1 ZINC001553426151 923992816 /nfs/dbraw/zinc/99/28/16/923992816.db2.gz IEIIYDVVWFEICP-LPWJVIDDSA-N 2 2 282.388 -0.447 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1C[C@@H]2[C@@H](C[NH3+])[C@@H]2C1 ZINC001553427747 923994824 /nfs/dbraw/zinc/99/48/24/923994824.db2.gz SOKQJSDQCFQSCJ-LPWJVIDDSA-N 2 2 282.388 -0.447 20 0 CBADLP C[N@@H+]1CCO[C@H](CNC(=O)N2C[C@H]3CC[C@@]3([NH3+])C2)C1 ZINC001553442057 924000981 /nfs/dbraw/zinc/00/09/81/924000981.db2.gz DCRFNDXITNZDAT-NQBHXWOUSA-N 2 2 268.361 -0.550 20 0 CBADLP C[N@H+]1CCO[C@H](CNC(=O)N2C[C@H]3CC[C@@]3([NH3+])C2)C1 ZINC001553442057 924000993 /nfs/dbraw/zinc/00/09/93/924000993.db2.gz DCRFNDXITNZDAT-NQBHXWOUSA-N 2 2 268.361 -0.550 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)N2CCC[C@@]23CC[NH2+]C3)CC1 ZINC001553528145 924026042 /nfs/dbraw/zinc/02/60/42/924026042.db2.gz LNXYGSLXYJMEKF-HNNXBMFYSA-N 3 2 295.431 -0.053 20 0 CBADLP C[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC001558502511 924176459 /nfs/dbraw/zinc/17/64/59/924176459.db2.gz GHXCQCXQYKMADU-GHMZBOCLSA-N 2 2 255.362 -0.227 20 0 CBADLP C[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC001558502511 924176467 /nfs/dbraw/zinc/17/64/67/924176467.db2.gz GHXCQCXQYKMADU-GHMZBOCLSA-N 2 2 255.362 -0.227 20 0 CBADLP C[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C(C)(C)C1 ZINC001558502511 924176478 /nfs/dbraw/zinc/17/64/78/924176478.db2.gz GHXCQCXQYKMADU-GHMZBOCLSA-N 2 2 255.362 -0.227 20 0 CBADLP C[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C(C)(C)C1 ZINC001558502511 924176490 /nfs/dbraw/zinc/17/64/90/924176490.db2.gz GHXCQCXQYKMADU-GHMZBOCLSA-N 2 2 255.362 -0.227 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001558551350 924182902 /nfs/dbraw/zinc/18/29/02/924182902.db2.gz PCYIJXADSGEFET-SECBINFHSA-N 2 2 250.302 -0.459 20 0 CBADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1cnn(C)c1 ZINC000311688325 230220840 /nfs/dbraw/zinc/22/08/40/230220840.db2.gz OHOQBYVMQZXVGA-NSHDSACASA-N 2 2 265.361 -0.155 20 0 CBADLP C[NH+](C)C[C@](C)(O)CNC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000430257877 282142361 /nfs/dbraw/zinc/14/23/61/282142361.db2.gz LNZHIYYZCTZMLX-BXUZGUMPSA-N 2 2 295.387 -0.190 20 0 CBADLP C[C@@H]1CC[NH2+][C@@H](C(=O)N2CC[NH+](CCO)CC2)C1 ZINC000126116237 187217536 /nfs/dbraw/zinc/21/75/36/187217536.db2.gz KUCPOWLJCYQAJO-VXGBXAGGSA-N 2 2 255.362 -0.489 20 0 CBADLP C[NH+](C)CC1CC[NH+](Cc2nc(N)nc(N)n2)CC1 ZINC000350948528 219071443 /nfs/dbraw/zinc/07/14/43/219071443.db2.gz INOYSVKVGLPCHP-UHFFFAOYSA-N 2 2 265.365 -0.530 20 0 CBADLP COC[C@H](O)C[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000126580004 187249392 /nfs/dbraw/zinc/24/93/92/187249392.db2.gz HAKPBAFIOZQKAO-CYBMUJFWSA-N 2 2 285.388 -0.766 20 0 CBADLP CC(=O)NCC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000126655028 187254163 /nfs/dbraw/zinc/25/41/63/187254163.db2.gz HCGUZIYJEKHKGL-UHFFFAOYSA-N 2 2 296.415 -0.203 20 0 CBADLP C[C@H](C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1)[NH+]1CCOCC1 ZINC000351534547 219117210 /nfs/dbraw/zinc/11/72/10/219117210.db2.gz DAVRXHWSXCLIEB-VOAKCMCISA-N 2 2 267.373 -0.097 20 0 CBADLP CN(C)c1[nH+]cc(C[NH2+]C[C@@H](O)CN2CCOCC2)n1C ZINC000515638047 282321027 /nfs/dbraw/zinc/32/10/27/282321027.db2.gz OLIDDFURSYGFRY-CYBMUJFWSA-N 2 2 297.403 -0.731 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H]3CSC[NH2+]3)C2)CC1 ZINC000377199298 530049854 /nfs/dbraw/zinc/04/98/54/530049854.db2.gz UGPVRJKFRCTOGM-DGCLKSJQSA-N 3 2 298.456 -0.066 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@H]3CSC[NH2+]3)C2)CC1 ZINC000377199298 530049855 /nfs/dbraw/zinc/04/98/55/530049855.db2.gz UGPVRJKFRCTOGM-DGCLKSJQSA-N 3 2 298.456 -0.066 20 0 CBADLP C[N@H+](CC(N)=O)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372370600 282379227 /nfs/dbraw/zinc/37/92/27/282379227.db2.gz RNZJEUDOBLSRRV-GFCCVEGCSA-N 2 2 254.378 -0.428 20 0 CBADLP C[N@@H+](CC(N)=O)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372370600 282379228 /nfs/dbraw/zinc/37/92/28/282379228.db2.gz RNZJEUDOBLSRRV-GFCCVEGCSA-N 2 2 254.378 -0.428 20 0 CBADLP CN(CC(N)=O)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372370600 282379229 /nfs/dbraw/zinc/37/92/29/282379229.db2.gz RNZJEUDOBLSRRV-GFCCVEGCSA-N 2 2 254.378 -0.428 20 0 CBADLP CN(CC(N)=O)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372370600 282379230 /nfs/dbraw/zinc/37/92/30/282379230.db2.gz RNZJEUDOBLSRRV-GFCCVEGCSA-N 2 2 254.378 -0.428 20 0 CBADLP C[NH+](CC(O)C[N@@H+](C)C1CC(O)C1)C1CC(O)C1 ZINC000447308748 282379632 /nfs/dbraw/zinc/37/96/32/282379632.db2.gz HTLKSRMAAXOWJQ-UHFFFAOYSA-N 2 2 258.362 -0.743 20 0 CBADLP C[NH+](CC(O)C[N@H+](C)C1CC(O)C1)C1CC(O)C1 ZINC000447308748 282379633 /nfs/dbraw/zinc/37/96/33/282379633.db2.gz HTLKSRMAAXOWJQ-UHFFFAOYSA-N 2 2 258.362 -0.743 20 0 CBADLP COC[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000127591337 187317791 /nfs/dbraw/zinc/31/77/91/187317791.db2.gz ONVDJOHICKRGKM-OLZOCXBDSA-N 2 2 285.388 -0.768 20 0 CBADLP COC[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000127591337 187317792 /nfs/dbraw/zinc/31/77/92/187317792.db2.gz ONVDJOHICKRGKM-OLZOCXBDSA-N 2 2 285.388 -0.768 20 0 CBADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)NCC(=O)N2CCCC2)C1 ZINC000351859347 219229108 /nfs/dbraw/zinc/22/91/08/219229108.db2.gz CYZOLZFZJSIPPF-NWDGAFQWSA-N 2 2 282.388 -0.606 20 0 CBADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)NCC(=O)N2CCCC2)C1 ZINC000351859347 219229110 /nfs/dbraw/zinc/22/91/10/219229110.db2.gz CYZOLZFZJSIPPF-NWDGAFQWSA-N 2 2 282.388 -0.606 20 0 CBADLP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(=O)NCC(=O)N2CCCC2)C1 ZINC000351859348 219228912 /nfs/dbraw/zinc/22/89/12/219228912.db2.gz CYZOLZFZJSIPPF-RYUDHWBXSA-N 2 2 282.388 -0.606 20 0 CBADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)NCC(=O)N2CCCC2)C1 ZINC000351859348 219228915 /nfs/dbraw/zinc/22/89/15/219228915.db2.gz CYZOLZFZJSIPPF-RYUDHWBXSA-N 2 2 282.388 -0.606 20 0 CBADLP C[C@H](C[NH3+])NC(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000274396735 352536327 /nfs/dbraw/zinc/53/63/27/352536327.db2.gz FMKPRUVYEYTUBP-GFCCVEGCSA-N 2 2 277.372 -0.333 20 0 CBADLP COC(=O)Cn1cc(C[NH2+][C@H](C)CC[NH+](C)C)nn1 ZINC000274412446 352536719 /nfs/dbraw/zinc/53/67/19/352536719.db2.gz JGFQVYVQUGZOIO-SNVBAGLBSA-N 2 2 269.349 -0.119 20 0 CBADLP COC(=O)CNC(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339441775 215175895 /nfs/dbraw/zinc/17/58/95/215175895.db2.gz TYRWOMZQBRMYDH-AWEZNQCLSA-N 2 2 283.372 -0.307 20 0 CBADLP COC(=O)CNC(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339441775 215175896 /nfs/dbraw/zinc/17/58/96/215175896.db2.gz TYRWOMZQBRMYDH-AWEZNQCLSA-N 2 2 283.372 -0.307 20 0 CBADLP COC(=O)CNC(=O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339441775 215175898 /nfs/dbraw/zinc/17/58/98/215175898.db2.gz TYRWOMZQBRMYDH-AWEZNQCLSA-N 2 2 283.372 -0.307 20 0 CBADLP COC(=O)CNC(=O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339441775 215175899 /nfs/dbraw/zinc/17/58/99/215175899.db2.gz TYRWOMZQBRMYDH-AWEZNQCLSA-N 2 2 283.372 -0.307 20 0 CBADLP C[C@H](C(=O)NCC[N@H+](C)C1CC1)[NH+]1CCOCC1 ZINC000339692607 215301058 /nfs/dbraw/zinc/30/10/58/215301058.db2.gz FUPACUZFGIYEIK-LLVKDONJSA-N 2 2 255.362 -0.083 20 0 CBADLP C[C@H](C(=O)NCC[N@@H+](C)C1CC1)[NH+]1CCOCC1 ZINC000339692607 215301061 /nfs/dbraw/zinc/30/10/61/215301061.db2.gz FUPACUZFGIYEIK-LLVKDONJSA-N 2 2 255.362 -0.083 20 0 CBADLP O=C(C[C@@H]1CSCC[NH2+]1)NCC[NH+]1CCOCC1 ZINC000091134108 180102770 /nfs/dbraw/zinc/10/27/70/180102770.db2.gz IWGBTVYAYRVWRS-LLVKDONJSA-N 2 2 273.402 -0.470 20 0 CBADLP CC(C)(CNC(=O)C[N@@H+]1CCC[C@H]1CO)[NH+]1CCOCC1 ZINC000104960952 186035520 /nfs/dbraw/zinc/03/55/20/186035520.db2.gz RVPGVUAPDNIDDR-ZDUSSCGKSA-N 2 2 299.415 -0.330 20 0 CBADLP CC(C)(CNC(=O)C[N@H+]1CCC[C@H]1CO)[NH+]1CCOCC1 ZINC000104960952 186035522 /nfs/dbraw/zinc/03/55/22/186035522.db2.gz RVPGVUAPDNIDDR-ZDUSSCGKSA-N 2 2 299.415 -0.330 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000109752418 186270979 /nfs/dbraw/zinc/27/09/79/186270979.db2.gz ORISOSXVUUKMKI-OLZOCXBDSA-N 2 2 268.405 -0.038 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000109752418 186270981 /nfs/dbraw/zinc/27/09/81/186270981.db2.gz ORISOSXVUUKMKI-OLZOCXBDSA-N 2 2 268.405 -0.038 20 0 CBADLP C[C@@H](NC(=O)NCC[NH+](C)C)[C@@H](C)[NH+]1CCOCC1 ZINC000133625937 282716339 /nfs/dbraw/zinc/71/63/39/282716339.db2.gz ZDLBRJXBKGLQCQ-VXGBXAGGSA-N 2 2 272.393 -0.044 20 0 CBADLP CN1C[C@H]([N@H+](C)C[C@H](O)C[NH+](C)C2CC2)CCC1=O ZINC000576475316 335209219 /nfs/dbraw/zinc/20/92/19/335209219.db2.gz BRHXRMOFWVZNMO-CHWSQXEVSA-N 2 2 269.389 -0.006 20 0 CBADLP O=C([C@H]1C[C@H](O)C[NH2+]1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000037800366 351405069 /nfs/dbraw/zinc/40/50/69/351405069.db2.gz KTBFZKCHNSZXTH-UONOGXRCSA-N 2 2 290.367 -0.551 20 0 CBADLP C[C@H](C(=O)N(C)CC[NH+]1CCOCC1)N1CC[NH+](C)CC1 ZINC000339797284 215342419 /nfs/dbraw/zinc/34/24/19/215342419.db2.gz JTCQMUGAFZHNRN-CQSZACIVSA-N 2 2 298.431 -0.587 20 0 CBADLP CCCNC(=O)NC(=O)C[N@H+](C)C1CC[NH2+]CC1 ZINC000036300417 351390103 /nfs/dbraw/zinc/39/01/03/351390103.db2.gz ZPGZHOCILJIQLS-UHFFFAOYSA-N 2 2 256.350 -0.094 20 0 CBADLP CCCNC(=O)NC(=O)C[N@@H+](C)C1CC[NH2+]CC1 ZINC000036300417 351390110 /nfs/dbraw/zinc/39/01/10/351390110.db2.gz ZPGZHOCILJIQLS-UHFFFAOYSA-N 2 2 256.350 -0.094 20 0 CBADLP C[N@H+](CC(=O)NC[C@H]1CCCO1)C1CC[NH2+]CC1 ZINC000036300762 351390312 /nfs/dbraw/zinc/39/03/12/351390312.db2.gz WPQDYXZOUIVTTG-GFCCVEGCSA-N 2 2 255.362 -0.035 20 0 CBADLP C[N@@H+](CC(=O)NC[C@H]1CCCO1)C1CC[NH2+]CC1 ZINC000036300762 351390318 /nfs/dbraw/zinc/39/03/18/351390318.db2.gz WPQDYXZOUIVTTG-GFCCVEGCSA-N 2 2 255.362 -0.035 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CCCC[NH2+]1 ZINC000037008651 351396422 /nfs/dbraw/zinc/39/64/22/351396422.db2.gz GEXONJHXZUULLW-NWDGAFQWSA-N 2 2 255.362 -0.035 20 0 CBADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(CCC[NH3+])CC1 ZINC000037037883 351396551 /nfs/dbraw/zinc/39/65/51/351396551.db2.gz XTTGZSZAPPUMEK-LLVKDONJSA-N 2 2 254.378 -0.380 20 0 CBADLP C[C@H](C(=O)NC1CC1)N1CC[NH+](CCC[NH3+])CC1 ZINC000037037883 351396554 /nfs/dbraw/zinc/39/65/54/351396554.db2.gz XTTGZSZAPPUMEK-LLVKDONJSA-N 2 2 254.378 -0.380 20 0 CBADLP COCCCNC(=O)[C@H](C)[NH+]1CCN(CCC[NH3+])CC1 ZINC000037037878 351396899 /nfs/dbraw/zinc/39/68/99/351396899.db2.gz QOYPGDHCZWFYRF-ZDUSSCGKSA-N 2 2 286.420 -0.506 20 0 CBADLP COCCCNC(=O)[C@H](C)N1CC[NH+](CCC[NH3+])CC1 ZINC000037037878 351396903 /nfs/dbraw/zinc/39/69/03/351396903.db2.gz QOYPGDHCZWFYRF-ZDUSSCGKSA-N 2 2 286.420 -0.506 20 0 CBADLP [NH3+]CCN1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000037039666 351397037 /nfs/dbraw/zinc/39/70/37/351397037.db2.gz JNQXNJPZSHSRRU-UHFFFAOYSA-N 2 2 268.405 -0.035 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C[NH2+]CC1CC1 ZINC000037612672 351399943 /nfs/dbraw/zinc/39/99/43/351399943.db2.gz INCIBDYXVYZNHU-NSHDSACASA-N 2 2 255.362 -0.177 20 0 CBADLP C[NH+]1CCN(CCNC(=O)[C@@H]2CSC[NH2+]2)CC1 ZINC000037760019 351402777 /nfs/dbraw/zinc/40/27/77/351402777.db2.gz AFVRRJDXYSAUKL-JTQLQIEISA-N 2 2 258.391 -0.988 20 0 CBADLP Cn1ncc2c1ncnc2N1CC[NH+](CCC[NH3+])CC1 ZINC000037674044 351402929 /nfs/dbraw/zinc/40/29/29/351402929.db2.gz KXSBIUVZIKGHCK-UHFFFAOYSA-N 2 2 275.360 -0.166 20 0 CBADLP Cn1cc[nH+]c1[C@@H]1CN(C(=O)[C@@H]2COCC[NH2+]2)CCN1C ZINC000424169523 282755301 /nfs/dbraw/zinc/75/53/01/282755301.db2.gz JTCWQUGCHXQGLR-RYUDHWBXSA-N 2 2 293.371 -0.776 20 0 CBADLP CC[NH+](CC)C[C@H](C)NC[C@H](O)C[NH+]1CCOCC1 ZINC000045704356 351451493 /nfs/dbraw/zinc/45/14/93/351451493.db2.gz GSXUJHHSICDATN-KBPBESRZSA-N 2 2 273.421 -0.001 20 0 CBADLP Cn1cc(C[NH2+][C@H]2CCC[N@H+](C)C2)c(=O)n(C)c1=O ZINC000040672508 351418137 /nfs/dbraw/zinc/41/81/37/351418137.db2.gz YDXKYMPVQUVTKF-NSHDSACASA-N 2 2 266.345 -0.732 20 0 CBADLP Cn1cc(C[NH2+][C@H]2CCC[N@@H+](C)C2)c(=O)n(C)c1=O ZINC000040672508 351418140 /nfs/dbraw/zinc/41/81/40/351418140.db2.gz YDXKYMPVQUVTKF-NSHDSACASA-N 2 2 266.345 -0.732 20 0 CBADLP CC(C)N(C)C(=O)C[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000051761429 351512818 /nfs/dbraw/zinc/51/28/18/351512818.db2.gz YXIMPLXMQSQDHI-UHFFFAOYSA-N 2 2 284.404 -0.441 20 0 CBADLP C[C@@H](C(=O)N(C)C)[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000051760830 351512969 /nfs/dbraw/zinc/51/29/69/351512969.db2.gz BGCBQUDRHJIFJA-NSHDSACASA-N 2 2 270.377 -0.831 20 0 CBADLP CN(C)C(=O)C[NH+]1CCC(N[C@@H]2CC[N@H+](C)C2)CC1 ZINC000049084780 351485681 /nfs/dbraw/zinc/48/56/81/351485681.db2.gz KNJGAPAJGDZPQW-CYBMUJFWSA-N 2 2 268.405 -0.167 20 0 CBADLP CN(C)C(=O)C[NH+]1CCC(N[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000049084780 351485687 /nfs/dbraw/zinc/48/56/87/351485687.db2.gz KNJGAPAJGDZPQW-CYBMUJFWSA-N 2 2 268.405 -0.167 20 0 CBADLP Cn1ccnc1C[N@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000062252299 351575890 /nfs/dbraw/zinc/57/58/90/351575890.db2.gz CKAKCCZYEYFIHD-UHFFFAOYSA-N 2 2 265.361 -0.326 20 0 CBADLP Cn1ccnc1C[N@@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000062252299 351575892 /nfs/dbraw/zinc/57/58/92/351575892.db2.gz CKAKCCZYEYFIHD-UHFFFAOYSA-N 2 2 265.361 -0.326 20 0 CBADLP CN1C[C@H]([N@@H+](C)C[C@H](O)C[NH+](C)C2CC2)CCC1=O ZINC000576475316 335209220 /nfs/dbraw/zinc/20/92/20/335209220.db2.gz BRHXRMOFWVZNMO-CHWSQXEVSA-N 2 2 269.389 -0.006 20 0 CBADLP CN(C)c1[nH+]cc(C[NH2+][C@@H]2CCC(=O)NC2)n1C ZINC000070144253 351635915 /nfs/dbraw/zinc/63/59/15/351635915.db2.gz CHAHMPUXNJMOEC-SECBINFHSA-N 2 2 251.334 -0.146 20 0 CBADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@@H](O)C2)C1 ZINC000074324332 351659783 /nfs/dbraw/zinc/65/97/83/351659783.db2.gz FICXBUQNBMLGLL-ZIAGYGMSSA-N 2 2 299.415 -0.474 20 0 CBADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@@H](O)C2)C1 ZINC000074324332 351659789 /nfs/dbraw/zinc/65/97/89/351659789.db2.gz FICXBUQNBMLGLL-ZIAGYGMSSA-N 2 2 299.415 -0.474 20 0 CBADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CC[C@@H](O)C2)C1 ZINC000074324332 351659793 /nfs/dbraw/zinc/65/97/93/351659793.db2.gz FICXBUQNBMLGLL-ZIAGYGMSSA-N 2 2 299.415 -0.474 20 0 CBADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC[C@@H](O)C2)C1 ZINC000074324332 351659797 /nfs/dbraw/zinc/65/97/97/351659797.db2.gz FICXBUQNBMLGLL-ZIAGYGMSSA-N 2 2 299.415 -0.474 20 0 CBADLP C[N@@H+]1CCC[C@@H](NC(=O)NCC[NH+]2CCOCC2)C1 ZINC000080322506 351697019 /nfs/dbraw/zinc/69/70/19/351697019.db2.gz JILAGBYDUXSPOZ-GFCCVEGCSA-N 2 2 270.377 -0.288 20 0 CBADLP C[N@H+]1CCC[C@@H](NC(=O)NCC[NH+]2CCOCC2)C1 ZINC000080322506 351697023 /nfs/dbraw/zinc/69/70/23/351697023.db2.gz JILAGBYDUXSPOZ-GFCCVEGCSA-N 2 2 270.377 -0.288 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000081257321 351704692 /nfs/dbraw/zinc/70/46/92/351704692.db2.gz CPEJQGFWHMUAFR-MNOVXSKESA-N 2 2 252.318 -0.282 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000081257321 351704694 /nfs/dbraw/zinc/70/46/94/351704694.db2.gz CPEJQGFWHMUAFR-MNOVXSKESA-N 2 2 252.318 -0.282 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)C[NH+]1CCN(C)CC1 ZINC000081396524 351705668 /nfs/dbraw/zinc/70/56/68/351705668.db2.gz CBCURDXRNCBGMT-KGLIPLIRSA-N 2 2 298.431 -0.683 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C[NH+]1CCN(C)CC1 ZINC000081396524 351705670 /nfs/dbraw/zinc/70/56/70/351705670.db2.gz CBCURDXRNCBGMT-KGLIPLIRSA-N 2 2 298.431 -0.683 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)CN1CC[NH+](C)CC1 ZINC000081396524 351705671 /nfs/dbraw/zinc/70/56/71/351705671.db2.gz CBCURDXRNCBGMT-KGLIPLIRSA-N 2 2 298.431 -0.683 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)CN1CC[NH+](C)CC1 ZINC000081396524 351705674 /nfs/dbraw/zinc/70/56/74/351705674.db2.gz CBCURDXRNCBGMT-KGLIPLIRSA-N 2 2 298.431 -0.683 20 0 CBADLP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000087083999 351721834 /nfs/dbraw/zinc/72/18/34/351721834.db2.gz UIZPUJRCPZWIKI-ZDUSSCGKSA-N 2 2 269.389 -0.003 20 0 CBADLP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000087083999 351721837 /nfs/dbraw/zinc/72/18/37/351721837.db2.gz UIZPUJRCPZWIKI-ZDUSSCGKSA-N 2 2 269.389 -0.003 20 0 CBADLP Cn1cc[nH+]c1N1CC[NH+](CC(=O)N2CCNC2=O)CC1 ZINC000089926564 351735394 /nfs/dbraw/zinc/73/53/94/351735394.db2.gz BCGLPPXOUBJFJO-UHFFFAOYSA-N 2 2 292.343 -0.906 20 0 CBADLP CCNS(=O)(=O)[C@@H]1CC[N@H+](CCn2cc[nH+]c2)C1 ZINC000092842382 351753022 /nfs/dbraw/zinc/75/30/22/351753022.db2.gz QICBHXSMXLDHJO-LLVKDONJSA-N 2 2 272.374 -0.103 20 0 CBADLP CCNS(=O)(=O)[C@@H]1CC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000092842382 351753025 /nfs/dbraw/zinc/75/30/25/351753025.db2.gz QICBHXSMXLDHJO-LLVKDONJSA-N 2 2 272.374 -0.103 20 0 CBADLP C[C@H](C(=O)N1CC[N@H+](CCO)[C@H](C)C1)[NH+]1CC(C)C1 ZINC000521066766 260362402 /nfs/dbraw/zinc/36/24/02/260362402.db2.gz OWWFONWGFMWVHE-CHWSQXEVSA-N 2 2 269.389 -0.148 20 0 CBADLP C[C@H](C(=O)N1CC[N@@H+](CCO)[C@H](C)C1)[NH+]1CC(C)C1 ZINC000521066766 260362404 /nfs/dbraw/zinc/36/24/04/260362404.db2.gz OWWFONWGFMWVHE-CHWSQXEVSA-N 2 2 269.389 -0.148 20 0 CBADLP CC(C)C[N@H+](CC(N)=O)CC(=O)N1CC[NH+](C)CC1 ZINC000093158903 351756382 /nfs/dbraw/zinc/75/63/82/351756382.db2.gz IAAUQJRLGBQPIL-UHFFFAOYSA-N 2 2 270.377 -0.796 20 0 CBADLP CC(C)C[N@@H+](CC(N)=O)CC(=O)N1CC[NH+](C)CC1 ZINC000093158903 351756386 /nfs/dbraw/zinc/75/63/86/351756386.db2.gz IAAUQJRLGBQPIL-UHFFFAOYSA-N 2 2 270.377 -0.796 20 0 CBADLP CC(C)[NH+]1CCN(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000093158290 351756643 /nfs/dbraw/zinc/75/66/43/351756643.db2.gz RXUCXNDOWJIJQW-UHFFFAOYSA-N 2 2 268.405 -0.214 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)CC1 ZINC000093187892 351757522 /nfs/dbraw/zinc/75/75/22/351757522.db2.gz FJRDOERGMNNIKJ-NSHDSACASA-N 2 2 295.305 -0.241 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@](O)(C(F)(F)F)C2)CC1 ZINC000093187892 351757525 /nfs/dbraw/zinc/75/75/25/351757525.db2.gz FJRDOERGMNNIKJ-NSHDSACASA-N 2 2 295.305 -0.241 20 0 CBADLP C[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+](C)CC2)[C@@H]1CO ZINC000093204168 351758017 /nfs/dbraw/zinc/75/80/17/351758017.db2.gz UFADVOYWGKAYEQ-CHWSQXEVSA-N 2 2 269.389 -0.147 20 0 CBADLP C[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)[C@@H]1CO ZINC000093204168 351758018 /nfs/dbraw/zinc/75/80/18/351758018.db2.gz UFADVOYWGKAYEQ-CHWSQXEVSA-N 2 2 269.389 -0.147 20 0 CBADLP CN(C)C(=O)C(C)(C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000093193377 351758334 /nfs/dbraw/zinc/75/83/34/351758334.db2.gz JLXRYDRFIPWRHL-UHFFFAOYSA-N 2 2 270.377 -0.783 20 0 CBADLP C[NH+]1CCN(C(=O)CN2CC[N@H+](C)CC2(C)C)CC1 ZINC000093256749 351759792 /nfs/dbraw/zinc/75/97/92/351759792.db2.gz SECAGVQTJIBIJN-UHFFFAOYSA-N 2 2 268.405 -0.214 20 0 CBADLP C[NH+]1CCN(C(=O)CN2CC[N@@H+](C)CC2(C)C)CC1 ZINC000093256749 351759795 /nfs/dbraw/zinc/75/97/95/351759795.db2.gz SECAGVQTJIBIJN-UHFFFAOYSA-N 2 2 268.405 -0.214 20 0 CBADLP CC(=O)N1CCN(C(=O)C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)CC1 ZINC000094341804 351763377 /nfs/dbraw/zinc/76/33/77/351763377.db2.gz SGIFFJXTQKZHTH-YPMHNXCESA-N 2 2 282.388 -0.654 20 0 CBADLP CC(=O)N1CCN(C(=O)C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)CC1 ZINC000094341804 351763382 /nfs/dbraw/zinc/76/33/82/351763382.db2.gz SGIFFJXTQKZHTH-YPMHNXCESA-N 2 2 282.388 -0.654 20 0 CBADLP CCOCC[NH+]1CCN(C(=O)CN2CC[NH+](C)CC2)CC1 ZINC000111622367 351803575 /nfs/dbraw/zinc/80/35/75/351803575.db2.gz MOVUPBCXUKFGHL-UHFFFAOYSA-N 2 2 298.431 -0.586 20 0 CBADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)CC(=O)N(C)C)CC1 ZINC000114453973 351817509 /nfs/dbraw/zinc/81/75/09/351817509.db2.gz DXIKUUIWADMLFM-UHFFFAOYSA-N 2 2 298.431 -0.005 20 0 CBADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)CC(=O)N(C)C)CC1 ZINC000114453973 351817513 /nfs/dbraw/zinc/81/75/13/351817513.db2.gz DXIKUUIWADMLFM-UHFFFAOYSA-N 2 2 298.431 -0.005 20 0 CBADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)NC(=O)NC1CC1 ZINC000124581663 351855575 /nfs/dbraw/zinc/85/55/75/351855575.db2.gz YKFHINZZWQCWPM-DTWKUNHWSA-N 2 2 254.334 -0.214 20 0 CBADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)NC(=O)NC1CC1 ZINC000124581663 351855577 /nfs/dbraw/zinc/85/55/77/351855577.db2.gz YKFHINZZWQCWPM-DTWKUNHWSA-N 2 2 254.334 -0.214 20 0 CBADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000120583471 351841450 /nfs/dbraw/zinc/84/14/50/351841450.db2.gz XIZAHVDQEPQTSJ-GFCCVEGCSA-N 2 2 282.388 -0.687 20 0 CBADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000120583471 351841452 /nfs/dbraw/zinc/84/14/52/351841452.db2.gz XIZAHVDQEPQTSJ-GFCCVEGCSA-N 2 2 282.388 -0.687 20 0 CBADLP C[NH+](C)CC(=O)N1CC[NH+](C[C@@H](O)C(F)(F)F)CC1 ZINC000121045353 351845374 /nfs/dbraw/zinc/84/53/74/351845374.db2.gz QHOOWUMSPOPXAL-SECBINFHSA-N 2 2 283.294 -0.385 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C[C@@H]1COCC[NH2+]1 ZINC000128940758 351867150 /nfs/dbraw/zinc/86/71/50/351867150.db2.gz WPDBOXYDRPTKOD-NWDGAFQWSA-N 2 2 271.361 -0.798 20 0 CBADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)[C@@H]1CCOC1 ZINC000129951842 351875564 /nfs/dbraw/zinc/87/55/64/351875564.db2.gz MWKGFPGVTOZPDR-NWDGAFQWSA-N 2 2 255.362 -0.225 20 0 CBADLP CS(=O)(=O)NCC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150750261 351930937 /nfs/dbraw/zinc/93/09/37/351930937.db2.gz YSPSOVYNDAWYAJ-LBPRGKRZSA-N 2 2 275.418 -0.047 20 0 CBADLP CS(=O)(=O)NCC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150750261 351930944 /nfs/dbraw/zinc/93/09/44/351930944.db2.gz YSPSOVYNDAWYAJ-LBPRGKRZSA-N 2 2 275.418 -0.047 20 0 CBADLP CCNC(=O)CC[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000131584921 351887148 /nfs/dbraw/zinc/88/71/48/351887148.db2.gz SEDFRXQLPNRBKY-ZDUSSCGKSA-N 2 2 296.415 -0.073 20 0 CBADLP CCNC(=O)CC[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000131584921 351887149 /nfs/dbraw/zinc/88/71/49/351887149.db2.gz SEDFRXQLPNRBKY-ZDUSSCGKSA-N 2 2 296.415 -0.073 20 0 CBADLP CC1CC[NH+](CC(=O)NC[C@H](O)C[NH+]2CCOCC2)CC1 ZINC000132663427 351894903 /nfs/dbraw/zinc/89/49/03/351894903.db2.gz XDFAPCXAPLLZPN-AWEZNQCLSA-N 2 2 299.415 -0.472 20 0 CBADLP C[C@@H](NC(=O)c1ccoc1)C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000162273060 351977020 /nfs/dbraw/zinc/97/70/20/351977020.db2.gz DYOXVOKPPVAQCS-PWSUYJOCSA-N 2 2 294.355 -0.501 20 0 CBADLP C[C@@H](NC(=O)c1ccoc1)C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000162273060 351977023 /nfs/dbraw/zinc/97/70/23/351977023.db2.gz DYOXVOKPPVAQCS-PWSUYJOCSA-N 2 2 294.355 -0.501 20 0 CBADLP C[N@@H+]1CCN(C(=O)CCNC(=O)C(C)(C)C)[C@H](C[NH3+])C1 ZINC000162296293 351977415 /nfs/dbraw/zinc/97/74/15/351977415.db2.gz FIPKTFDARRPTFP-LLVKDONJSA-N 2 2 284.404 -0.360 20 0 CBADLP C[N@H+]1CCN(C(=O)CCNC(=O)C(C)(C)C)[C@H](C[NH3+])C1 ZINC000162296293 351977417 /nfs/dbraw/zinc/97/74/17/351977417.db2.gz FIPKTFDARRPTFP-LLVKDONJSA-N 2 2 284.404 -0.360 20 0 CBADLP C[C@@H](O)[C@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000162771463 351979315 /nfs/dbraw/zinc/97/93/15/351979315.db2.gz WLITWENNVLRSEY-NEPJUHHUSA-N 2 2 255.362 -0.537 20 0 CBADLP C[C@@H](O)[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000162771463 351979317 /nfs/dbraw/zinc/97/93/17/351979317.db2.gz WLITWENNVLRSEY-NEPJUHHUSA-N 2 2 255.362 -0.537 20 0 CBADLP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000163217601 351980568 /nfs/dbraw/zinc/98/05/68/351980568.db2.gz DVRUURMMFWZYPM-IUCAKERBSA-N 2 2 254.334 -0.356 20 0 CBADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000163217601 351980570 /nfs/dbraw/zinc/98/05/70/351980570.db2.gz DVRUURMMFWZYPM-IUCAKERBSA-N 2 2 254.334 -0.356 20 0 CBADLP C[NH+](C)CC(C)(C)CNC(=O)CN1CC[NH2+]CC1=O ZINC000163444210 351982047 /nfs/dbraw/zinc/98/20/47/351982047.db2.gz DJFGTRXFDXKWSS-UHFFFAOYSA-N 2 2 270.377 -0.878 20 0 CBADLP COC(=O)[C@H]1C[C@H](O)C[N@@H+]1CCCn1cc[nH+]c1 ZINC000163757981 351982992 /nfs/dbraw/zinc/98/29/92/351982992.db2.gz NWKITSGBMFXAFU-WDEREUQCSA-N 2 2 253.302 -0.119 20 0 CBADLP COC(=O)[C@H]1C[C@H](O)C[N@H+]1CCCn1cc[nH+]c1 ZINC000163757981 351982994 /nfs/dbraw/zinc/98/29/94/351982994.db2.gz NWKITSGBMFXAFU-WDEREUQCSA-N 2 2 253.302 -0.119 20 0 CBADLP CCOCC[NH+]1CCN(C(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000164472545 351983499 /nfs/dbraw/zinc/98/34/99/351983499.db2.gz ZJXYTRQKTHWRBW-GFCCVEGCSA-N 2 2 255.362 -0.081 20 0 CBADLP CCOCC[NH+]1CCN(C(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000164469796 351983533 /nfs/dbraw/zinc/98/35/33/351983533.db2.gz ZJXYTRQKTHWRBW-LBPRGKRZSA-N 2 2 255.362 -0.081 20 0 CBADLP CCOCC[NH+]1CCN(C(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000164458665 351983880 /nfs/dbraw/zinc/98/38/80/351983880.db2.gz RLWZUPQCORYJJG-LBPRGKRZSA-N 2 2 271.361 -0.845 20 0 CBADLP O=C(NCCCNc1cccc[nH+]1)[C@@H]1COCC[NH2+]1 ZINC000165234910 351985258 /nfs/dbraw/zinc/98/52/58/351985258.db2.gz DZAYLWNVXVKZKJ-NSHDSACASA-N 2 2 264.329 -0.012 20 0 CBADLP COCC[NH2+]CC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000165684328 351986487 /nfs/dbraw/zinc/98/64/87/351986487.db2.gz ALOQRFKBNBSTBR-CYBMUJFWSA-N 2 2 285.388 -0.454 20 0 CBADLP C[C@H]([C@H](C)NC(=O)[C@@H]1CCC[NH2+]1)[NH+]1CCOCC1 ZINC000167691285 351989725 /nfs/dbraw/zinc/98/97/25/351989725.db2.gz UGELVUFZPAXQPQ-TUAOUCFPSA-N 2 2 255.362 -0.036 20 0 CBADLP COCC[N@@H+]1CCN(C(=O)[C@H]2CSC[NH2+]2)C[C@@H]1C ZINC000168020956 351992092 /nfs/dbraw/zinc/99/20/92/351992092.db2.gz RYENBUVIQZJSPX-WDEREUQCSA-N 2 2 273.402 -0.172 20 0 CBADLP COCC[N@H+]1CCN(C(=O)[C@H]2CSC[NH2+]2)C[C@@H]1C ZINC000168020956 351992093 /nfs/dbraw/zinc/99/20/93/351992093.db2.gz RYENBUVIQZJSPX-WDEREUQCSA-N 2 2 273.402 -0.172 20 0 CBADLP COCC[N@@H+]1CCN(C(=O)[C@H]2CSC[NH2+]2)C[C@H]1C ZINC000168020865 351992183 /nfs/dbraw/zinc/99/21/83/351992183.db2.gz RYENBUVIQZJSPX-GHMZBOCLSA-N 2 2 273.402 -0.172 20 0 CBADLP COCC[N@H+]1CCN(C(=O)[C@H]2CSC[NH2+]2)C[C@H]1C ZINC000168020865 351992185 /nfs/dbraw/zinc/99/21/85/351992185.db2.gz RYENBUVIQZJSPX-GHMZBOCLSA-N 2 2 273.402 -0.172 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000168662062 351994702 /nfs/dbraw/zinc/99/47/02/351994702.db2.gz UJSXZDXQCPEVNQ-VXGBXAGGSA-N 2 2 284.404 -0.360 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000168662062 351994705 /nfs/dbraw/zinc/99/47/05/351994705.db2.gz UJSXZDXQCPEVNQ-VXGBXAGGSA-N 2 2 284.404 -0.360 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)NCCn1cc[nH+]c1 ZINC000170739918 352001112 /nfs/dbraw/zinc/00/11/12/352001112.db2.gz NBTUMFHUJRNVNH-UHFFFAOYSA-N 2 2 281.360 -0.143 20 0 CBADLP CC[N@H+](C)C[C@H]1CC[NH+](CC(=O)NCCC(=O)OC)C1 ZINC000173905200 352042318 /nfs/dbraw/zinc/04/23/18/352042318.db2.gz OKQPKXSEGQHNBW-GFCCVEGCSA-N 2 2 285.388 -0.061 20 0 CBADLP CC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)NCCC(=O)OC)C1 ZINC000173905200 352042323 /nfs/dbraw/zinc/04/23/23/352042323.db2.gz OKQPKXSEGQHNBW-GFCCVEGCSA-N 2 2 285.388 -0.061 20 0 CBADLP CC[NH+](C)C[C@H]1CC[N@H+](CC(=O)NCCC(=O)OC)C1 ZINC000173905200 352042329 /nfs/dbraw/zinc/04/23/29/352042329.db2.gz OKQPKXSEGQHNBW-GFCCVEGCSA-N 2 2 285.388 -0.061 20 0 CBADLP CC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NCCC(=O)OC)C1 ZINC000173905200 352042335 /nfs/dbraw/zinc/04/23/35/352042335.db2.gz OKQPKXSEGQHNBW-GFCCVEGCSA-N 2 2 285.388 -0.061 20 0 CBADLP O=C(NCC[NH+]1CCOCC1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000173927959 352042397 /nfs/dbraw/zinc/04/23/97/352042397.db2.gz DJSRUQGTLJSXLA-CQSZACIVSA-N 2 2 294.399 -0.026 20 0 CBADLP CC(C)[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH+]1CCOCC1 ZINC000174506611 352047229 /nfs/dbraw/zinc/04/72/29/352047229.db2.gz VDQIQZMPURQFIU-KBPBESRZSA-N 2 2 299.415 -0.210 20 0 CBADLP CC(C)[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH+]1CCOCC1 ZINC000174506611 352047232 /nfs/dbraw/zinc/04/72/32/352047232.db2.gz VDQIQZMPURQFIU-KBPBESRZSA-N 2 2 299.415 -0.210 20 0 CBADLP C[NH+](C)CC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000174562690 352048708 /nfs/dbraw/zinc/04/87/08/352048708.db2.gz AEAMEDKGHCJREV-GFCCVEGCSA-N 2 2 255.362 -0.129 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000174649626 352049182 /nfs/dbraw/zinc/04/91/82/352049182.db2.gz FBRZUHBSTNMHEE-ZDUSSCGKSA-N 2 2 285.388 -0.454 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000174649626 352049184 /nfs/dbraw/zinc/04/91/84/352049184.db2.gz FBRZUHBSTNMHEE-ZDUSSCGKSA-N 2 2 285.388 -0.454 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](C3CC3)CCO2)C1 ZINC000174868999 352052033 /nfs/dbraw/zinc/05/20/33/352052033.db2.gz VLTGYXQPAWGRJC-CHWSQXEVSA-N 2 2 283.372 -0.704 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](C3CC3)CCO2)C1 ZINC000174868999 352052038 /nfs/dbraw/zinc/05/20/38/352052038.db2.gz VLTGYXQPAWGRJC-CHWSQXEVSA-N 2 2 283.372 -0.704 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)C1 ZINC000174868999 352052041 /nfs/dbraw/zinc/05/20/41/352052041.db2.gz VLTGYXQPAWGRJC-CHWSQXEVSA-N 2 2 283.372 -0.704 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)C1 ZINC000174868999 352052044 /nfs/dbraw/zinc/05/20/44/352052044.db2.gz VLTGYXQPAWGRJC-CHWSQXEVSA-N 2 2 283.372 -0.704 20 0 CBADLP CC(C)N1CC[C@@H]([NH+]2CCN(C(=O)C[NH+](C)C)CC2)C1=O ZINC000175085525 352052956 /nfs/dbraw/zinc/05/29/56/352052956.db2.gz CHLCJESNHICEQC-CYBMUJFWSA-N 2 2 296.415 -0.299 20 0 CBADLP COC(=O)CNC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000177057440 352070236 /nfs/dbraw/zinc/07/02/36/352070236.db2.gz AJYAUVHJGUCOGF-GHMZBOCLSA-N 2 2 271.361 -0.310 20 0 CBADLP COC(=O)CNC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000177057440 352070239 /nfs/dbraw/zinc/07/02/39/352070239.db2.gz AJYAUVHJGUCOGF-GHMZBOCLSA-N 2 2 271.361 -0.310 20 0 CBADLP COC(=O)CNC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000177057440 352070240 /nfs/dbraw/zinc/07/02/40/352070240.db2.gz AJYAUVHJGUCOGF-GHMZBOCLSA-N 2 2 271.361 -0.310 20 0 CBADLP COC(=O)CNC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000177057440 352070241 /nfs/dbraw/zinc/07/02/41/352070241.db2.gz AJYAUVHJGUCOGF-GHMZBOCLSA-N 2 2 271.361 -0.310 20 0 CBADLP CC(=O)N[C@H](C)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000177118772 352070312 /nfs/dbraw/zinc/07/03/12/352070312.db2.gz FEAGKMIYSKOTAT-LLVKDONJSA-N 2 2 284.404 -0.347 20 0 CBADLP COC(=O)[C@H]1C[C@@H]1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000177141107 352071328 /nfs/dbraw/zinc/07/13/28/352071328.db2.gz JPQVODNBGBTZRY-STQMWFEESA-N 2 2 297.399 -0.062 20 0 CBADLP Cn1c(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)cc(=O)n(C)c1=O ZINC000172197917 352023377 /nfs/dbraw/zinc/02/33/77/352023377.db2.gz HWVVYMCBJFHUGD-NSHDSACASA-N 2 2 280.372 -0.533 20 0 CBADLP Cn1c(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)cc(=O)n(C)c1=O ZINC000172197917 352023382 /nfs/dbraw/zinc/02/33/82/352023382.db2.gz HWVVYMCBJFHUGD-NSHDSACASA-N 2 2 280.372 -0.533 20 0 CBADLP C[NH+](C)CCn1ccc(NC(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC000172723530 352030115 /nfs/dbraw/zinc/03/01/15/352030115.db2.gz GSGKBSOUPMWUQM-NSHDSACASA-N 2 2 281.360 -0.286 20 0 CBADLP C[NH+](C)CCn1ccc(NC(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC000172723530 352030117 /nfs/dbraw/zinc/03/01/17/352030117.db2.gz GSGKBSOUPMWUQM-NSHDSACASA-N 2 2 281.360 -0.286 20 0 CBADLP NS(=O)(=O)CCC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000172940503 352032190 /nfs/dbraw/zinc/03/21/90/352032190.db2.gz ASERELXUOILTQM-GFCCVEGCSA-N 2 2 291.417 -0.681 20 0 CBADLP NS(=O)(=O)CCC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000172940503 352032192 /nfs/dbraw/zinc/03/21/92/352032192.db2.gz ASERELXUOILTQM-GFCCVEGCSA-N 2 2 291.417 -0.681 20 0 CBADLP COC[C@@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000172996948 352033611 /nfs/dbraw/zinc/03/36/11/352033611.db2.gz SRYRGQJEQKOTDU-OLZOCXBDSA-N 2 2 258.362 -0.352 20 0 CBADLP COC[C@@H](O)C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000172996948 352033614 /nfs/dbraw/zinc/03/36/14/352033614.db2.gz SRYRGQJEQKOTDU-OLZOCXBDSA-N 2 2 258.362 -0.352 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N1CC[NH+](CCO)[C@H](C)C1 ZINC000187277738 352136902 /nfs/dbraw/zinc/13/69/02/352136902.db2.gz HRBHELZYVVNTNC-GFCCVEGCSA-N 2 2 257.378 -0.148 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N1CC[NH+](CCO)[C@H](C)C1 ZINC000187277738 352136905 /nfs/dbraw/zinc/13/69/05/352136905.db2.gz HRBHELZYVVNTNC-GFCCVEGCSA-N 2 2 257.378 -0.148 20 0 CBADLP CC(C)[NH+](C)CC(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000187277738 352136906 /nfs/dbraw/zinc/13/69/06/352136906.db2.gz HRBHELZYVVNTNC-GFCCVEGCSA-N 2 2 257.378 -0.148 20 0 CBADLP CC(C)[NH+](C)CC(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000187277738 352136909 /nfs/dbraw/zinc/13/69/09/352136909.db2.gz HRBHELZYVVNTNC-GFCCVEGCSA-N 2 2 257.378 -0.148 20 0 CBADLP CC[C@@H](C(=O)N1CC[NH+](C[C@@H](C)O)CC1)[NH+](C)C ZINC000186792123 352131401 /nfs/dbraw/zinc/13/14/01/352131401.db2.gz OXTUFGDTICIION-NEPJUHHUSA-N 2 2 257.378 -0.148 20 0 CBADLP C[N@@H+]1CCCC[C@H]1CN1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC000178201164 352077856 /nfs/dbraw/zinc/07/78/56/352077856.db2.gz QLBSIMUOBZSIIG-UONOGXRCSA-N 2 2 280.416 -0.023 20 0 CBADLP C[N@H+]1CCCC[C@H]1CN1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC000178201164 352077857 /nfs/dbraw/zinc/07/78/57/352077857.db2.gz QLBSIMUOBZSIIG-UONOGXRCSA-N 2 2 280.416 -0.023 20 0 CBADLP O=C(NCCN1CC[NH2+]CC1)c1ccc2[nH+]ccn2c1 ZINC000178449650 352078878 /nfs/dbraw/zinc/07/88/78/352078878.db2.gz QKXSRZCOWQRVHU-UHFFFAOYSA-N 2 2 273.340 -0.031 20 0 CBADLP CC1(C)C[N@H+](CCNC(=O)[C@H]2CSC[NH2+]2)CCO1 ZINC000178745118 352082454 /nfs/dbraw/zinc/08/24/54/352082454.db2.gz LVRWSSQYMWNECH-SNVBAGLBSA-N 2 2 273.402 -0.124 20 0 CBADLP CC1(C)C[N@@H+](CCNC(=O)[C@H]2CSC[NH2+]2)CCO1 ZINC000178745118 352082457 /nfs/dbraw/zinc/08/24/57/352082457.db2.gz LVRWSSQYMWNECH-SNVBAGLBSA-N 2 2 273.402 -0.124 20 0 CBADLP CC1(C)C[N@H+](CCNC(=O)[C@@H]2C[NH2+]CCO2)CCO1 ZINC000178744877 352082564 /nfs/dbraw/zinc/08/25/64/352082564.db2.gz BASZTPLOHWHLOH-NSHDSACASA-N 2 2 271.361 -0.798 20 0 CBADLP CC1(C)C[N@@H+](CCNC(=O)[C@@H]2C[NH2+]CCO2)CCO1 ZINC000178744877 352082566 /nfs/dbraw/zinc/08/25/66/352082566.db2.gz BASZTPLOHWHLOH-NSHDSACASA-N 2 2 271.361 -0.798 20 0 CBADLP CC1(C)C[N@H+](CCNC(=O)[C@H]2CC[NH2+]C2)CCO1 ZINC000178745061 352082901 /nfs/dbraw/zinc/08/29/01/352082901.db2.gz PGLMKHLLNVBRSO-NSHDSACASA-N 2 2 255.362 -0.177 20 0 CBADLP CC1(C)C[N@@H+](CCNC(=O)[C@H]2CC[NH2+]C2)CCO1 ZINC000178745061 352082902 /nfs/dbraw/zinc/08/29/02/352082902.db2.gz PGLMKHLLNVBRSO-NSHDSACASA-N 2 2 255.362 -0.177 20 0 CBADLP CC1CC[NH+](CC(=O)NC[C@H]2C[NH+]3CCN2CC3)CC1 ZINC000178968689 352086421 /nfs/dbraw/zinc/08/64/21/352086421.db2.gz WRFFAQFZSCGKJE-AWEZNQCLSA-N 2 2 280.416 -0.166 20 0 CBADLP CC[C@H](CO)[NH+]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000179412769 352090408 /nfs/dbraw/zinc/09/04/08/352090408.db2.gz MZNRWAZBBIGMLK-CHWSQXEVSA-N 2 2 285.388 -0.768 20 0 CBADLP CC[C@H](CO)[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000179412769 352090413 /nfs/dbraw/zinc/09/04/13/352090413.db2.gz MZNRWAZBBIGMLK-CHWSQXEVSA-N 2 2 285.388 -0.768 20 0 CBADLP CC[C@@H](CO)[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000179412742 352090501 /nfs/dbraw/zinc/09/05/01/352090501.db2.gz MZNRWAZBBIGMLK-STQMWFEESA-N 2 2 285.388 -0.768 20 0 CBADLP CC[C@@H](CO)[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000179412742 352090502 /nfs/dbraw/zinc/09/05/02/352090502.db2.gz MZNRWAZBBIGMLK-STQMWFEESA-N 2 2 285.388 -0.768 20 0 CBADLP C[C@@H](O)[C@@H]1CCCC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000180484511 352094768 /nfs/dbraw/zinc/09/47/68/352094768.db2.gz LZNSEQNNXUAMBW-OLZOCXBDSA-N 2 2 269.389 -0.004 20 0 CBADLP C[C@@H](O)[C@@H]1CCCC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000180484511 352094769 /nfs/dbraw/zinc/09/47/69/352094769.db2.gz LZNSEQNNXUAMBW-OLZOCXBDSA-N 2 2 269.389 -0.004 20 0 CBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C[NH+](C)C)[C@H](C)C1 ZINC000182829589 352106475 /nfs/dbraw/zinc/10/64/75/352106475.db2.gz RNZDEKZGDPFVMB-LLVKDONJSA-N 2 2 271.361 -0.356 20 0 CBADLP COC(=O)CC[N@H+]1CCN(C(=O)C[NH+](C)C)[C@H](C)C1 ZINC000182829589 352106476 /nfs/dbraw/zinc/10/64/76/352106476.db2.gz RNZDEKZGDPFVMB-LLVKDONJSA-N 2 2 271.361 -0.356 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1CC(C)(C)O ZINC000188640660 352155400 /nfs/dbraw/zinc/15/54/00/352155400.db2.gz WUXBFAZEEDOQIR-OLZOCXBDSA-N 2 2 299.415 -0.379 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@H]2C[NH+](C)CCO2)CC[N@H+]1CC(C)(C)O ZINC000188640660 352155405 /nfs/dbraw/zinc/15/54/05/352155405.db2.gz WUXBFAZEEDOQIR-OLZOCXBDSA-N 2 2 299.415 -0.379 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC[NH+]1CC(C)(C)O ZINC000188640660 352155407 /nfs/dbraw/zinc/15/54/07/352155407.db2.gz WUXBFAZEEDOQIR-OLZOCXBDSA-N 2 2 299.415 -0.379 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1CC(C)(C)O ZINC000188640660 352155411 /nfs/dbraw/zinc/15/54/11/352155411.db2.gz WUXBFAZEEDOQIR-OLZOCXBDSA-N 2 2 299.415 -0.379 20 0 CBADLP C[C@H](O)CNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000192537979 352197557 /nfs/dbraw/zinc/19/75/57/352197557.db2.gz HPWFPYHWWWUCHO-NSHDSACASA-N 2 2 272.393 -0.308 20 0 CBADLP C[C@H](c1nnnn1C)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000189781803 352174660 /nfs/dbraw/zinc/17/46/60/352174660.db2.gz WOHNTADKDRPPGB-GFCCVEGCSA-N 2 2 281.408 -0.160 20 0 CBADLP C[C@H](c1nnnn1C)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000189781803 352174661 /nfs/dbraw/zinc/17/46/61/352174661.db2.gz WOHNTADKDRPPGB-GFCCVEGCSA-N 2 2 281.408 -0.160 20 0 CBADLP COCC[NH+]1CCN(CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC000191422533 352188274 /nfs/dbraw/zinc/18/82/74/352188274.db2.gz IIJBNCSAXPIHDI-AWEZNQCLSA-N 2 2 271.405 -0.029 20 0 CBADLP CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000187901973 352143906 /nfs/dbraw/zinc/14/39/06/352143906.db2.gz CSRKSSWYPHQOGQ-BFHYXJOUSA-N 2 2 299.415 -0.164 20 0 CBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1COCCO1 ZINC000193620030 352207588 /nfs/dbraw/zinc/20/75/88/352207588.db2.gz NVQFYYXNAVOHKC-AWEZNQCLSA-N 2 2 299.415 -0.114 20 0 CBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1COCCO1 ZINC000193620030 352207589 /nfs/dbraw/zinc/20/75/89/352207589.db2.gz NVQFYYXNAVOHKC-AWEZNQCLSA-N 2 2 299.415 -0.114 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000221584636 352241246 /nfs/dbraw/zinc/24/12/46/352241246.db2.gz LPSLOGFSCLWRLF-IJLUTSLNSA-N 2 2 255.362 -0.179 20 0 CBADLP C[NH+](CC(O)C[N@@H+](C)CC1(CO)CC1)CC1(CO)CC1 ZINC000194834625 352219045 /nfs/dbraw/zinc/21/90/45/352219045.db2.gz GXJJAALKACGUSV-UHFFFAOYSA-N 2 2 286.416 -0.244 20 0 CBADLP C[NH+](CC(O)C[N@H+](C)CC1(CO)CC1)CC1(CO)CC1 ZINC000194834625 352219049 /nfs/dbraw/zinc/21/90/49/352219049.db2.gz GXJJAALKACGUSV-UHFFFAOYSA-N 2 2 286.416 -0.244 20 0 CBADLP CN1C[C@H]([NH+](C)C[C@H](O)C[N@H+](C)C2CC2)CCC1=O ZINC000576475316 335209221 /nfs/dbraw/zinc/20/92/21/335209221.db2.gz BRHXRMOFWVZNMO-CHWSQXEVSA-N 2 2 269.389 -0.006 20 0 CBADLP CN1C[C@H]([NH+](C)C[C@H](O)C[N@@H+](C)C2CC2)CCC1=O ZINC000576475316 335209223 /nfs/dbraw/zinc/20/92/23/335209223.db2.gz BRHXRMOFWVZNMO-CHWSQXEVSA-N 2 2 269.389 -0.006 20 0 CBADLP CC[C@H](C)[C@H](NC(=O)C[N@@H+]1CC[C@@H](C[NH3+])C1)C(=O)OC ZINC000224220666 352246320 /nfs/dbraw/zinc/24/63/20/352246320.db2.gz UKAYHRNMTIBZCE-GVXVVHGQSA-N 2 2 285.388 -0.029 20 0 CBADLP CC[C@H](C)[C@H](NC(=O)C[N@H+]1CC[C@@H](C[NH3+])C1)C(=O)OC ZINC000224220666 352246322 /nfs/dbraw/zinc/24/63/22/352246322.db2.gz UKAYHRNMTIBZCE-GVXVVHGQSA-N 2 2 285.388 -0.029 20 0 CBADLP CN1CC[N@H+](C)[C@@H](CNC(=O)CC[NH2+]C2CC2)C1 ZINC000225354124 352247822 /nfs/dbraw/zinc/24/78/22/352247822.db2.gz WQDYSXUFEVUGMA-LBPRGKRZSA-N 2 2 254.378 -0.510 20 0 CBADLP CN1CC[N@@H+](C)[C@@H](CNC(=O)CC[NH2+]C2CC2)C1 ZINC000225354124 352247826 /nfs/dbraw/zinc/24/78/26/352247826.db2.gz WQDYSXUFEVUGMA-LBPRGKRZSA-N 2 2 254.378 -0.510 20 0 CBADLP O=C(NCC[NH+]1CCSCC1)[C@@H]1CSC[NH2+]1 ZINC000226390324 352252541 /nfs/dbraw/zinc/25/25/41/352252541.db2.gz RWJPBGXDHLQVAQ-VIFPVBQESA-N 2 2 261.416 -0.186 20 0 CBADLP C[N@@H+]1CCN(Cc2cccc(C(N)=O)c2)[C@@H](C[NH3+])C1 ZINC000226626760 352254036 /nfs/dbraw/zinc/25/40/36/352254036.db2.gz ZOEDKAWJNRMQPD-ZDUSSCGKSA-N 2 2 262.357 -0.140 20 0 CBADLP C[N@H+]1CCN(Cc2cccc(C(N)=O)c2)[C@@H](C[NH3+])C1 ZINC000226626760 352254038 /nfs/dbraw/zinc/25/40/38/352254038.db2.gz ZOEDKAWJNRMQPD-ZDUSSCGKSA-N 2 2 262.357 -0.140 20 0 CBADLP COCCOC[C@@H](O)C[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000234748763 352284280 /nfs/dbraw/zinc/28/42/80/352284280.db2.gz RVXIUFRBAFSWPD-NEPJUHHUSA-N 2 2 257.334 -0.115 20 0 CBADLP CC(C)([NH3+])C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000236775999 352292986 /nfs/dbraw/zinc/29/29/86/352292986.db2.gz ZQLWRYGTEBKXLC-UHFFFAOYSA-N 2 2 296.415 -0.120 20 0 CBADLP CC(C)([NH3+])C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000236775999 352292988 /nfs/dbraw/zinc/29/29/88/352292988.db2.gz ZQLWRYGTEBKXLC-UHFFFAOYSA-N 2 2 296.415 -0.120 20 0 CBADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000237029091 352297756 /nfs/dbraw/zinc/29/77/56/352297756.db2.gz CMNHMSKQVZFCKE-CYBMUJFWSA-N 2 2 296.415 -0.392 20 0 CBADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1COCC[NH2+]1 ZINC000237067767 352298959 /nfs/dbraw/zinc/29/89/59/352298959.db2.gz ZRIQKLQMGNDLGQ-NEPJUHHUSA-N 2 2 255.362 -0.035 20 0 CBADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1COCC[NH2+]1 ZINC000237067767 352298961 /nfs/dbraw/zinc/29/89/61/352298961.db2.gz ZRIQKLQMGNDLGQ-NEPJUHHUSA-N 2 2 255.362 -0.035 20 0 CBADLP COCC[NH2+]CC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000237146980 352300354 /nfs/dbraw/zinc/30/03/54/352300354.db2.gz VDSXXECGNQRTDC-CQSZACIVSA-N 2 2 299.415 -0.064 20 0 CBADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)[C@@H]1COCC[NH2+]1 ZINC000237576137 352307237 /nfs/dbraw/zinc/30/72/37/352307237.db2.gz DXRHMHXZFQXRHS-JQWIXIFHSA-N 2 2 266.345 -0.068 20 0 CBADLP C[C@@H]1C[N@@H+](CCCNC(=O)[C@H]2COCC[NH2+]2)C[C@H](C)O1 ZINC000237671505 352308616 /nfs/dbraw/zinc/30/86/16/352308616.db2.gz PTWLFCABFQEFNI-FRRDWIJNSA-N 2 2 285.388 -0.410 20 0 CBADLP C[C@@H]1C[N@H+](CCCNC(=O)[C@H]2COCC[NH2+]2)C[C@H](C)O1 ZINC000237671505 352308617 /nfs/dbraw/zinc/30/86/17/352308617.db2.gz PTWLFCABFQEFNI-FRRDWIJNSA-N 2 2 285.388 -0.410 20 0 CBADLP C[C@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)C[NH3+])CC1 ZINC000237775214 352310274 /nfs/dbraw/zinc/31/02/74/352310274.db2.gz DUIVZMVAGKNDNC-LBPRGKRZSA-N 2 2 282.388 -0.510 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[NH+](C3CC3)CCO2)C1 ZINC000245469709 352321949 /nfs/dbraw/zinc/32/19/49/352321949.db2.gz VLTGYXQPAWGRJC-STQMWFEESA-N 2 2 283.372 -0.704 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[NH+](C3CC3)CCO2)C1 ZINC000245469709 352321953 /nfs/dbraw/zinc/32/19/53/352321953.db2.gz VLTGYXQPAWGRJC-STQMWFEESA-N 2 2 283.372 -0.704 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)C1 ZINC000245469709 352321957 /nfs/dbraw/zinc/32/19/57/352321957.db2.gz VLTGYXQPAWGRJC-STQMWFEESA-N 2 2 283.372 -0.704 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)C1 ZINC000245469709 352321962 /nfs/dbraw/zinc/32/19/62/352321962.db2.gz VLTGYXQPAWGRJC-STQMWFEESA-N 2 2 283.372 -0.704 20 0 CBADLP C[C@H]1C[N@H+](Cc2cc(=O)n(C)c(=O)n2C)CC[C@H]1[NH3+] ZINC000251739176 352375023 /nfs/dbraw/zinc/37/50/23/352375023.db2.gz KTECFAADHGMRHM-GXSJLCMTSA-N 2 2 266.345 -0.747 20 0 CBADLP C[C@H]1C[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)CC[C@H]1[NH3+] ZINC000251739176 352375028 /nfs/dbraw/zinc/37/50/28/352375028.db2.gz KTECFAADHGMRHM-GXSJLCMTSA-N 2 2 266.345 -0.747 20 0 CBADLP COC(=O)[C@@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)C[C@H]1C ZINC000251819074 352375133 /nfs/dbraw/zinc/37/51/33/352375133.db2.gz OVYIBQFKXMCCSR-VXGBXAGGSA-N 2 2 283.372 -0.499 20 0 CBADLP COC(=O)[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)C[C@H]1C ZINC000251819074 352375135 /nfs/dbraw/zinc/37/51/35/352375135.db2.gz OVYIBQFKXMCCSR-VXGBXAGGSA-N 2 2 283.372 -0.499 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CC[NH2+][C@H]1C ZINC000252600444 352378405 /nfs/dbraw/zinc/37/84/05/352378405.db2.gz LPSLOGFSCLWRLF-WOPDTQHZSA-N 2 2 255.362 -0.179 20 0 CBADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261572129 352387868 /nfs/dbraw/zinc/38/78/68/352387868.db2.gz LLIPWSSAYYTYNY-JOYOIKCWSA-N 2 2 256.350 -0.109 20 0 CBADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261572129 352387871 /nfs/dbraw/zinc/38/78/71/352387871.db2.gz LLIPWSSAYYTYNY-JOYOIKCWSA-N 2 2 256.350 -0.109 20 0 CBADLP CCN(CC)C(=O)C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261582923 352388875 /nfs/dbraw/zinc/38/88/75/352388875.db2.gz GWVZVZIBIKBLAZ-ZDUSSCGKSA-N 2 2 268.405 -0.166 20 0 CBADLP CCCNC(=O)NC(=O)C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261582220 352389154 /nfs/dbraw/zinc/38/91/54/352389154.db2.gz RAVMASSMTWTPDO-GFCCVEGCSA-N 2 2 256.350 -0.107 20 0 CBADLP CCCNC(=O)NC(=O)C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261582220 352389156 /nfs/dbraw/zinc/38/91/56/352389156.db2.gz RAVMASSMTWTPDO-GFCCVEGCSA-N 2 2 256.350 -0.107 20 0 CBADLP CCNC(=O)NC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261588084 352389470 /nfs/dbraw/zinc/38/94/70/352389470.db2.gz VLXIAOMBLUTLBY-VHSXEESVSA-N 2 2 254.334 -0.627 20 0 CBADLP CCNC(=O)NC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261588084 352389475 /nfs/dbraw/zinc/38/94/75/352389475.db2.gz VLXIAOMBLUTLBY-VHSXEESVSA-N 2 2 254.334 -0.627 20 0 CBADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261586056 352389604 /nfs/dbraw/zinc/38/96/04/352389604.db2.gz IRHNBLJSMQHUBP-GARJFASQSA-N 2 2 268.361 -0.096 20 0 CBADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261586056 352389608 /nfs/dbraw/zinc/38/96/08/352389608.db2.gz IRHNBLJSMQHUBP-GARJFASQSA-N 2 2 268.361 -0.096 20 0 CBADLP O=C(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)NC(=O)NC1CC1 ZINC000261585707 352389764 /nfs/dbraw/zinc/38/97/64/352389764.db2.gz IODKJQRUNGLUFU-ZJUUUORDSA-N 2 2 266.345 -0.484 20 0 CBADLP O=C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)NC(=O)NC1CC1 ZINC000261585707 352389767 /nfs/dbraw/zinc/38/97/67/352389767.db2.gz IODKJQRUNGLUFU-ZJUUUORDSA-N 2 2 266.345 -0.484 20 0 CBADLP CC(=O)N1CCN(C(=O)C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000261598920 352390515 /nfs/dbraw/zinc/39/05/15/352390515.db2.gz BANGIDJPIOAZBO-UONOGXRCSA-N 2 2 294.399 -0.782 20 0 CBADLP CC(=O)N1CCN(C(=O)C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000261598920 352390518 /nfs/dbraw/zinc/39/05/18/352390518.db2.gz BANGIDJPIOAZBO-UONOGXRCSA-N 2 2 294.399 -0.782 20 0 CBADLP CCCNC(=O)NC(=O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261598619 352390627 /nfs/dbraw/zinc/39/06/27/352390627.db2.gz PEKBHSPUPZQUMF-MNOVXSKESA-N 2 2 268.361 -0.237 20 0 CBADLP CCCNC(=O)NC(=O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261598619 352390630 /nfs/dbraw/zinc/39/06/30/352390630.db2.gz PEKBHSPUPZQUMF-MNOVXSKESA-N 2 2 268.361 -0.237 20 0 CBADLP CC[C@@H](C)NC(=O)C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261620945 352392103 /nfs/dbraw/zinc/39/21/03/352392103.db2.gz UQRAULFTBXLNNC-CHWSQXEVSA-N 2 2 268.405 -0.119 20 0 CBADLP C[C@@H](NC(=O)C[N@@H+]1CC[C@@](C)(C[NH3+])C1)C(=O)N(C)C ZINC000261652030 352392986 /nfs/dbraw/zinc/39/29/86/352392986.db2.gz HMNQOYFQLXQXAP-MFKMUULPSA-N 2 2 270.377 -0.750 20 0 CBADLP C[C@@H](NC(=O)C[N@H+]1CC[C@@](C)(C[NH3+])C1)C(=O)N(C)C ZINC000261652030 352392989 /nfs/dbraw/zinc/39/29/89/352392989.db2.gz HMNQOYFQLXQXAP-MFKMUULPSA-N 2 2 270.377 -0.750 20 0 CBADLP O=C([C@H]1CCC[NH2+]1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000261687766 352393796 /nfs/dbraw/zinc/39/37/96/352393796.db2.gz KKLUFVCIOJHLIO-LLVKDONJSA-N 2 2 263.345 -0.194 20 0 CBADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@H](C)[NH3+])CC1 ZINC000261703877 352394063 /nfs/dbraw/zinc/39/40/63/352394063.db2.gz CVXGNQFSQOQQFU-NSHDSACASA-N 2 2 270.377 -0.606 20 0 CBADLP CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@H](C)[NH3+])CC1 ZINC000261703877 352394068 /nfs/dbraw/zinc/39/40/68/352394068.db2.gz CVXGNQFSQOQQFU-NSHDSACASA-N 2 2 270.377 -0.606 20 0 CBADLP Cn1c(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc(=O)n(C)c1=O ZINC000261754300 352395704 /nfs/dbraw/zinc/39/57/04/352395704.db2.gz NDEQRCBLCOPYPA-GHMZBOCLSA-N 2 2 278.356 -0.875 20 0 CBADLP Cn1c(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc(=O)n(C)c1=O ZINC000261754300 352395707 /nfs/dbraw/zinc/39/57/07/352395707.db2.gz NDEQRCBLCOPYPA-GHMZBOCLSA-N 2 2 278.356 -0.875 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261791597 352396262 /nfs/dbraw/zinc/39/62/62/352396262.db2.gz QKSZJSKQLGGULW-CQSZACIVSA-N 2 2 284.404 -0.358 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261791597 352396268 /nfs/dbraw/zinc/39/62/68/352396268.db2.gz QKSZJSKQLGGULW-CQSZACIVSA-N 2 2 284.404 -0.358 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261789630 352396479 /nfs/dbraw/zinc/39/64/79/352396479.db2.gz QKSZJSKQLGGULW-AWEZNQCLSA-N 2 2 284.404 -0.358 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261789630 352396483 /nfs/dbraw/zinc/39/64/83/352396483.db2.gz QKSZJSKQLGGULW-AWEZNQCLSA-N 2 2 284.404 -0.358 20 0 CBADLP Cn1c(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc(=O)n(C)c1=O ZINC000261836807 352397121 /nfs/dbraw/zinc/39/71/21/352397121.db2.gz VEIHLIUJUFWNQH-AWEZNQCLSA-N 2 2 278.356 -0.731 20 0 CBADLP Cn1c(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc(=O)n(C)c1=O ZINC000261836807 352397126 /nfs/dbraw/zinc/39/71/26/352397126.db2.gz VEIHLIUJUFWNQH-AWEZNQCLSA-N 2 2 278.356 -0.731 20 0 CBADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)C2C[NH2+]C2)CC1 ZINC000262231429 352411172 /nfs/dbraw/zinc/41/11/72/352411172.db2.gz MHJFAJFBAVUUNT-LBPRGKRZSA-N 2 2 294.399 -0.639 20 0 CBADLP O=C(NCCn1cc[nH+]c1)C1(n2cccn2)CC[NH2+]CC1 ZINC000262299256 352414568 /nfs/dbraw/zinc/41/45/68/352414568.db2.gz PLNOGTFIFGHHFX-UHFFFAOYSA-N 2 2 288.355 -0.025 20 0 CBADLP O=C(c1cc([C@H]2CC[NH2+]C2)n[nH]1)N1CC[NH+](CCO)CC1 ZINC000262362421 352417929 /nfs/dbraw/zinc/41/79/29/352417929.db2.gz KNSYPOAJPQDZEG-NSHDSACASA-N 2 2 293.371 -0.763 20 0 CBADLP O=C([C@@H]1C[C@]12CC[NH2+]C2)N1CC[NH+](CCO)CC1 ZINC000262413888 352421445 /nfs/dbraw/zinc/42/14/45/352421445.db2.gz QWKORUDZVHHBCH-AAEUAGOBSA-N 2 2 253.346 -0.878 20 0 CBADLP CCC[C@@](C)([NH3+])C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000262600494 352427466 /nfs/dbraw/zinc/42/74/66/352427466.db2.gz YJJOMFRXPHDJDY-GXTWGEPZSA-N 2 2 287.404 -0.345 20 0 CBADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2COCC[NH2+]2)C1 ZINC000262628336 352428428 /nfs/dbraw/zinc/42/84/28/352428428.db2.gz CUBYDUYZSCRGHU-CHWSQXEVSA-N 2 2 285.388 -0.552 20 0 CBADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H]2COCC[NH2+]2)C1 ZINC000262628336 352428431 /nfs/dbraw/zinc/42/84/31/352428431.db2.gz CUBYDUYZSCRGHU-CHWSQXEVSA-N 2 2 285.388 -0.552 20 0 CBADLP COCC[NH2+]CC(=O)NCc1ccc[nH+]c1N(C)C ZINC000262651351 352429407 /nfs/dbraw/zinc/42/94/07/352429407.db2.gz AATXOTNWPLVMAH-UHFFFAOYSA-N 2 2 266.345 0.000 20 0 CBADLP CO[C@H](C[NH3+])CC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000262856081 352435270 /nfs/dbraw/zinc/43/52/70/352435270.db2.gz KQYRFOWAWXZKDM-NSHDSACASA-N 2 2 273.377 -0.423 20 0 CBADLP CO[C@H](C[NH3+])CC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000262856081 352435274 /nfs/dbraw/zinc/43/52/74/352435274.db2.gz KQYRFOWAWXZKDM-NSHDSACASA-N 2 2 273.377 -0.423 20 0 CBADLP CO[C@H](C[NH3+])CC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000262936847 352436412 /nfs/dbraw/zinc/43/64/12/352436412.db2.gz TZWPRQJSQZBPBS-OLZOCXBDSA-N 2 2 285.388 -0.327 20 0 CBADLP [NH3+]CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000263066513 352437858 /nfs/dbraw/zinc/43/78/58/352437858.db2.gz WABZTOXCRUVUPB-VXGBXAGGSA-N 3 2 254.378 -0.475 20 0 CBADLP [NH3+]CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000263066513 352437861 /nfs/dbraw/zinc/43/78/61/352437861.db2.gz WABZTOXCRUVUPB-VXGBXAGGSA-N 3 2 254.378 -0.475 20 0 CBADLP CCOCCN1CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000261956567 352402463 /nfs/dbraw/zinc/40/24/63/352402463.db2.gz AGVCAPONZKTLAX-UHFFFAOYSA-N 2 2 298.431 -0.538 20 0 CBADLP CCOCC[NH+]1CCN(CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000261956567 352402471 /nfs/dbraw/zinc/40/24/71/352402471.db2.gz AGVCAPONZKTLAX-UHFFFAOYSA-N 2 2 298.431 -0.538 20 0 CBADLP COCCN1CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000261956535 352402527 /nfs/dbraw/zinc/40/25/27/352402527.db2.gz AGDWSZSAFWJGTB-UHFFFAOYSA-N 2 2 284.404 -0.928 20 0 CBADLP COCC[NH+]1CCN(CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000261956535 352402530 /nfs/dbraw/zinc/40/25/30/352402530.db2.gz AGDWSZSAFWJGTB-UHFFFAOYSA-N 2 2 284.404 -0.928 20 0 CBADLP Cc1ccn2cc(CNC(=O)[C@H]3C[C@H](O)C[NH2+]3)[nH+]c2c1 ZINC000269231944 352464203 /nfs/dbraw/zinc/46/42/03/352464203.db2.gz DOKVELGYVLDKRB-NWDGAFQWSA-N 2 2 274.324 -0.018 20 0 CBADLP Cc1ccc2[nH+]c(CNC(=O)[C@@H]3C[C@@H](O)C[NH2+]3)cn2c1 ZINC000269266873 352465072 /nfs/dbraw/zinc/46/50/72/352465072.db2.gz ZFMNFDFNRYWZSO-NEPJUHHUSA-N 2 2 274.324 -0.018 20 0 CBADLP O=C(NCc1cn2ccccc2[nH+]1)[C@H]1C[NH2+]CCO1 ZINC000269242695 352465101 /nfs/dbraw/zinc/46/51/01/352465101.db2.gz RJIXADMXGJYYQZ-LLVKDONJSA-N 2 2 260.297 -0.061 20 0 CBADLP CN(C)c1[nH+]cc(CNC(=O)[C@@H]2CSC[NH2+]2)n1C ZINC000269265451 352465381 /nfs/dbraw/zinc/46/53/81/352465381.db2.gz OVVOBBLNSGWFOT-VIFPVBQESA-N 2 2 269.374 -0.235 20 0 CBADLP CN(C)c1ncc(C[NH2+]C[C@](C)(O)C[NH+](C)C)cn1 ZINC000269802454 352481517 /nfs/dbraw/zinc/48/15/17/352481517.db2.gz JSSFXFSWWQZTFJ-ZDUSSCGKSA-N 2 2 267.377 -0.055 20 0 CBADLP COC(=O)C[C@@H]1C(=O)NCC[N@H+]1CCn1cc[nH+]c1C ZINC000270787313 352501182 /nfs/dbraw/zinc/50/11/82/352501182.db2.gz BPZQERJLNRUZBU-LLVKDONJSA-N 2 2 280.328 -0.445 20 0 CBADLP COC(=O)C[C@@H]1C(=O)NCC[N@@H+]1CCn1cc[nH+]c1C ZINC000270787313 352501184 /nfs/dbraw/zinc/50/11/84/352501184.db2.gz BPZQERJLNRUZBU-LLVKDONJSA-N 2 2 280.328 -0.445 20 0 CBADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000270851380 352502596 /nfs/dbraw/zinc/50/25/96/352502596.db2.gz HYKQLXFKFQFMBL-NSHDSACASA-N 2 2 272.374 -0.185 20 0 CBADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000270851380 352502599 /nfs/dbraw/zinc/50/25/99/352502599.db2.gz HYKQLXFKFQFMBL-NSHDSACASA-N 2 2 272.374 -0.185 20 0 CBADLP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000271146021 352508822 /nfs/dbraw/zinc/50/88/22/352508822.db2.gz YNKZFWJUJGNAFD-YPMHNXCESA-N 2 2 295.387 -0.265 20 0 CBADLP C[NH+](C)CC(=O)N1CCN(Cc2c[nH+]c[nH]2)CC1 ZINC000280349168 352594200 /nfs/dbraw/zinc/59/42/00/352594200.db2.gz BXYMIMRWTDFLQB-UHFFFAOYSA-N 2 2 251.334 -0.385 20 0 CBADLP C[NH+](C)CC(=O)N1CCN(Cc2c[nH]c[nH+]2)CC1 ZINC000280349168 352594203 /nfs/dbraw/zinc/59/42/03/352594203.db2.gz BXYMIMRWTDFLQB-UHFFFAOYSA-N 2 2 251.334 -0.385 20 0 CBADLP NC(=O)NC(=O)C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363413543 303270917 /nfs/dbraw/zinc/27/09/17/303270917.db2.gz DQVDXUDCSDSRDT-GMTAPVOTSA-N 2 2 266.345 -0.403 20 0 CBADLP NC(=O)NC(=O)C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363413543 303270919 /nfs/dbraw/zinc/27/09/19/303270919.db2.gz DQVDXUDCSDSRDT-GMTAPVOTSA-N 2 2 266.345 -0.403 20 0 CBADLP NC(=O)NC(=O)C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363413543 303270921 /nfs/dbraw/zinc/27/09/21/303270921.db2.gz DQVDXUDCSDSRDT-GMTAPVOTSA-N 2 2 266.345 -0.403 20 0 CBADLP NC(=O)NC(=O)C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363413543 303270923 /nfs/dbraw/zinc/27/09/23/303270923.db2.gz DQVDXUDCSDSRDT-GMTAPVOTSA-N 2 2 266.345 -0.403 20 0 CBADLP C[C@@H](O)C[NH+]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000283035436 352616290 /nfs/dbraw/zinc/61/62/90/352616290.db2.gz IOZGWFBBCLDTCV-KXMPLOMGSA-N 2 2 264.329 -0.052 20 0 CBADLP CN(C)c1cc[nH+]c(N2CC[NH+](CCO)CC2)n1 ZINC000301687212 352738122 /nfs/dbraw/zinc/73/81/22/352738122.db2.gz MCILTYMMXNQJSR-UHFFFAOYSA-N 2 2 251.334 -0.343 20 0 CBADLP C[C@@H](O)C[NH+]1CCN(c2cc[nH+]cc2C(N)=O)CC1 ZINC000302516028 352741413 /nfs/dbraw/zinc/74/14/13/352741413.db2.gz HFTJYVIQFXRSTR-SNVBAGLBSA-N 2 2 264.329 -0.317 20 0 CBADLP CC[N@H+](CCO)[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000303032892 352744457 /nfs/dbraw/zinc/74/44/57/352744457.db2.gz BDWBNOYOBVHKKX-LBPRGKRZSA-N 2 2 257.378 -0.147 20 0 CBADLP CC[N@@H+](CCO)[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000303032892 352744461 /nfs/dbraw/zinc/74/44/61/352744461.db2.gz BDWBNOYOBVHKKX-LBPRGKRZSA-N 2 2 257.378 -0.147 20 0 CBADLP CN(CC[NH+]1CCCC1)C[C@H](O)C[NH+]1CCOCC1 ZINC000305635014 352748267 /nfs/dbraw/zinc/74/82/67/352748267.db2.gz ODAYUGVCKFLFFN-AWEZNQCLSA-N 2 2 271.405 -0.293 20 0 CBADLP CNC(=O)[C@@H]1CCC[N@H+](C[C@H](O)C[NH+](C)CCOC)C1 ZINC000312643551 352776183 /nfs/dbraw/zinc/77/61/83/352776183.db2.gz XNEIQLXNOLOTKX-CHWSQXEVSA-N 2 2 287.404 -0.617 20 0 CBADLP CNC(=O)[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)CCOC)C1 ZINC000312643551 352776184 /nfs/dbraw/zinc/77/61/84/352776184.db2.gz XNEIQLXNOLOTKX-CHWSQXEVSA-N 2 2 287.404 -0.617 20 0 CBADLP CNC(=O)[C@@H]1CCC[NH+](C[C@H](O)C[N@H+](C)CCOC)C1 ZINC000312643551 352776185 /nfs/dbraw/zinc/77/61/85/352776185.db2.gz XNEIQLXNOLOTKX-CHWSQXEVSA-N 2 2 287.404 -0.617 20 0 CBADLP CNC(=O)[C@@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)CCOC)C1 ZINC000312643551 352776189 /nfs/dbraw/zinc/77/61/89/352776189.db2.gz XNEIQLXNOLOTKX-CHWSQXEVSA-N 2 2 287.404 -0.617 20 0 CBADLP CN(C)S(=O)(=O)CC[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000310129868 352758103 /nfs/dbraw/zinc/75/81/03/352758103.db2.gz HHKUWAHTXNXQSI-NSHDSACASA-N 2 2 261.391 -0.437 20 0 CBADLP CN(C)S(=O)(=O)CC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000310129868 352758106 /nfs/dbraw/zinc/75/81/06/352758106.db2.gz HHKUWAHTXNXQSI-NSHDSACASA-N 2 2 261.391 -0.437 20 0 CBADLP C[N@@H+]1CCCN(C[C@H](O)C[NH+]2CCOCC2)CC1 ZINC000310580240 352760824 /nfs/dbraw/zinc/76/08/24/352760824.db2.gz SRPGGRGSTPGJDV-ZDUSSCGKSA-N 2 2 257.378 -0.683 20 0 CBADLP C[N@H+]1CCCN(C[C@H](O)C[NH+]2CCOCC2)CC1 ZINC000310580240 352760828 /nfs/dbraw/zinc/76/08/28/352760828.db2.gz SRPGGRGSTPGJDV-ZDUSSCGKSA-N 2 2 257.378 -0.683 20 0 CBADLP COC[C@]1(C(=O)N(C)Cc2[nH]cc[nH+]2)CC[NH2+]C1 ZINC000310811777 352762333 /nfs/dbraw/zinc/76/23/33/352762333.db2.gz GOMAMRARALBDHA-LBPRGKRZSA-N 2 2 252.318 -0.006 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H]([C@H](C)O)C1 ZINC000310920404 352763837 /nfs/dbraw/zinc/76/38/37/352763837.db2.gz SHRJPYPXXLBILT-XQQFMLRXSA-N 2 2 260.378 -0.372 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H]([C@H](C)O)C1 ZINC000310920404 352763843 /nfs/dbraw/zinc/76/38/43/352763843.db2.gz SHRJPYPXXLBILT-XQQFMLRXSA-N 2 2 260.378 -0.372 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000310920404 352763846 /nfs/dbraw/zinc/76/38/46/352763846.db2.gz SHRJPYPXXLBILT-XQQFMLRXSA-N 2 2 260.378 -0.372 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000310920404 352763851 /nfs/dbraw/zinc/76/38/51/352763851.db2.gz SHRJPYPXXLBILT-XQQFMLRXSA-N 2 2 260.378 -0.372 20 0 CBADLP CO[C@@H]1C[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C[C@@H]1OC ZINC000311052817 352764994 /nfs/dbraw/zinc/76/49/94/352764994.db2.gz ILYRPERWAZCTIH-RWMBFGLXSA-N 2 2 258.362 -0.213 20 0 CBADLP CO[C@@H]1C[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C[C@@H]1OC ZINC000311052817 352764997 /nfs/dbraw/zinc/76/49/97/352764997.db2.gz ILYRPERWAZCTIH-RWMBFGLXSA-N 2 2 258.362 -0.213 20 0 CBADLP CO[C@@H]1C[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C[C@@H]1OC ZINC000311052817 352765001 /nfs/dbraw/zinc/76/50/01/352765001.db2.gz ILYRPERWAZCTIH-RWMBFGLXSA-N 2 2 258.362 -0.213 20 0 CBADLP CC[C@@](C)([NH2+]C[C@H](O)C[N@H+](C)CCOC)C(N)=O ZINC000311152103 352766331 /nfs/dbraw/zinc/76/63/31/352766331.db2.gz NLTDJWRCGVQEJA-CMPLNLGQSA-N 2 2 261.366 -0.831 20 0 CBADLP CC[C@@](C)([NH2+]C[C@H](O)C[N@@H+](C)CCOC)C(N)=O ZINC000311152103 352766335 /nfs/dbraw/zinc/76/63/35/352766335.db2.gz NLTDJWRCGVQEJA-CMPLNLGQSA-N 2 2 261.366 -0.831 20 0 CBADLP CCOC[C@@H](O)C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000311198601 352766816 /nfs/dbraw/zinc/76/68/16/352766816.db2.gz HEFUHJJEGZWZOE-NSHDSACASA-N 2 2 256.350 -0.027 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](NC(C)=O)C1 ZINC000311648048 352768780 /nfs/dbraw/zinc/76/87/80/352768780.db2.gz CLOISAVKVFRLBO-OLZOCXBDSA-N 2 2 273.377 -0.864 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](NC(C)=O)C1 ZINC000311648048 352768784 /nfs/dbraw/zinc/76/87/84/352768784.db2.gz CLOISAVKVFRLBO-OLZOCXBDSA-N 2 2 273.377 -0.864 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](NC(C)=O)C1 ZINC000311648048 352768787 /nfs/dbraw/zinc/76/87/87/352768787.db2.gz CLOISAVKVFRLBO-OLZOCXBDSA-N 2 2 273.377 -0.864 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](NC(C)=O)C1 ZINC000311648048 352768791 /nfs/dbraw/zinc/76/87/91/352768791.db2.gz CLOISAVKVFRLBO-OLZOCXBDSA-N 2 2 273.377 -0.864 20 0 CBADLP Cn1cc[nH+]c1N1CC[NH+](CCN2C(=O)CNC2=O)CC1 ZINC000328612814 352784854 /nfs/dbraw/zinc/78/48/54/352784854.db2.gz PSWYJOQKTPWBRV-UHFFFAOYSA-N 2 2 292.343 -0.702 20 0 CBADLP COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000330965686 352860831 /nfs/dbraw/zinc/86/08/31/352860831.db2.gz RJVCZYTUIWRHKH-NEPJUHHUSA-N 2 2 271.361 -0.846 20 0 CBADLP COCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000330965686 352860832 /nfs/dbraw/zinc/86/08/32/352860832.db2.gz RJVCZYTUIWRHKH-NEPJUHHUSA-N 2 2 271.361 -0.846 20 0 CBADLP COCC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000330965686 352860833 /nfs/dbraw/zinc/86/08/33/352860833.db2.gz RJVCZYTUIWRHKH-NEPJUHHUSA-N 2 2 271.361 -0.846 20 0 CBADLP COCC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000330965686 352860834 /nfs/dbraw/zinc/86/08/34/352860834.db2.gz RJVCZYTUIWRHKH-NEPJUHHUSA-N 2 2 271.361 -0.846 20 0 CBADLP CCOC(=O)[C@@](C)(O)C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000331062954 352873154 /nfs/dbraw/zinc/87/31/54/352873154.db2.gz OZGQORZMXHSKFP-AWEZNQCLSA-N 2 2 296.371 -0.144 20 0 CBADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](NC(N)=O)C2)CC1 ZINC000330529185 352839707 /nfs/dbraw/zinc/83/97/07/352839707.db2.gz QWDFAHJYALYJDW-GFCCVEGCSA-N 2 2 297.403 -0.256 20 0 CBADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](NC(N)=O)C2)CC1 ZINC000330529185 352839710 /nfs/dbraw/zinc/83/97/10/352839710.db2.gz QWDFAHJYALYJDW-GFCCVEGCSA-N 2 2 297.403 -0.256 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CCC[C@H]2CCO)CC1 ZINC000330556049 352847899 /nfs/dbraw/zinc/84/78/99/352847899.db2.gz FNEUKFVGLCRZIW-STQMWFEESA-N 2 2 269.389 -0.099 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000331395569 352911756 /nfs/dbraw/zinc/91/17/56/352911756.db2.gz NNHAUEAACNZUAP-LBPRGKRZSA-N 2 2 294.399 -0.497 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000331395569 352911758 /nfs/dbraw/zinc/91/17/58/352911758.db2.gz NNHAUEAACNZUAP-LBPRGKRZSA-N 2 2 294.399 -0.497 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000332626696 352970315 /nfs/dbraw/zinc/97/03/15/352970315.db2.gz PVIPOAVKYFBPHR-ZIAGYGMSSA-N 2 2 299.415 -0.208 20 0 CBADLP C[NH+]1CCC(NC(=O)C(=O)N2CCn3cc[nH+]c3C2)CC1 ZINC000332614852 352970573 /nfs/dbraw/zinc/97/05/73/352970573.db2.gz SDQDHVPYUJZPEB-UHFFFAOYSA-N 2 2 291.355 -0.564 20 0 CBADLP C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000332766566 352984093 /nfs/dbraw/zinc/98/40/93/352984093.db2.gz AYGXIUIGXAMDIF-YPMHNXCESA-N 2 2 278.356 -0.108 20 0 CBADLP C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000332766566 352984096 /nfs/dbraw/zinc/98/40/96/352984096.db2.gz AYGXIUIGXAMDIF-YPMHNXCESA-N 2 2 278.356 -0.108 20 0 CBADLP O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000332773131 352984170 /nfs/dbraw/zinc/98/41/70/352984170.db2.gz IZIZKMQAODPJDJ-SMDDNHRTSA-N 2 2 289.383 -0.227 20 0 CBADLP O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000332773131 352984173 /nfs/dbraw/zinc/98/41/73/352984173.db2.gz IZIZKMQAODPJDJ-SMDDNHRTSA-N 2 2 289.383 -0.227 20 0 CBADLP O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000332773131 352984176 /nfs/dbraw/zinc/98/41/76/352984176.db2.gz IZIZKMQAODPJDJ-SMDDNHRTSA-N 2 2 289.383 -0.227 20 0 CBADLP O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000332773131 352984178 /nfs/dbraw/zinc/98/41/78/352984178.db2.gz IZIZKMQAODPJDJ-SMDDNHRTSA-N 2 2 289.383 -0.227 20 0 CBADLP O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000332773130 352984915 /nfs/dbraw/zinc/98/49/15/352984915.db2.gz IZIZKMQAODPJDJ-FZMZJTMJSA-N 2 2 289.383 -0.227 20 0 CBADLP O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000332773130 352984917 /nfs/dbraw/zinc/98/49/17/352984917.db2.gz IZIZKMQAODPJDJ-FZMZJTMJSA-N 2 2 289.383 -0.227 20 0 CBADLP O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000332773130 352984920 /nfs/dbraw/zinc/98/49/20/352984920.db2.gz IZIZKMQAODPJDJ-FZMZJTMJSA-N 2 2 289.383 -0.227 20 0 CBADLP O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000332773130 352984922 /nfs/dbraw/zinc/98/49/22/352984922.db2.gz IZIZKMQAODPJDJ-FZMZJTMJSA-N 2 2 289.383 -0.227 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000332820382 352988001 /nfs/dbraw/zinc/98/80/01/352988001.db2.gz KBOBFBJLJDUEJK-QWHCGFSZSA-N 2 2 294.403 -0.183 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000332820382 352988003 /nfs/dbraw/zinc/98/80/03/352988003.db2.gz KBOBFBJLJDUEJK-QWHCGFSZSA-N 2 2 294.403 -0.183 20 0 CBADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000333585348 353004752 /nfs/dbraw/zinc/00/47/52/353004752.db2.gz OAOIZCAPOJKHCX-IJLUTSLNSA-N 2 2 270.377 -0.386 20 0 CBADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000333585348 353004754 /nfs/dbraw/zinc/00/47/54/353004754.db2.gz OAOIZCAPOJKHCX-IJLUTSLNSA-N 2 2 270.377 -0.386 20 0 CBADLP O=C(C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)N1CCNC(=O)C1 ZINC000333813007 353012108 /nfs/dbraw/zinc/01/21/08/353012108.db2.gz FZUAUKAFTMWNAH-OLZOCXBDSA-N 2 2 294.399 -0.591 20 0 CBADLP O=C(C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)N1CCNC(=O)C1 ZINC000333813007 353012112 /nfs/dbraw/zinc/01/21/12/353012112.db2.gz FZUAUKAFTMWNAH-OLZOCXBDSA-N 2 2 294.399 -0.591 20 0 CBADLP O=C1NCC[C@H]1[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000336736602 353050365 /nfs/dbraw/zinc/05/03/65/353050365.db2.gz YTKUBUCHRNZFEX-VXGBXAGGSA-N 2 2 253.346 -0.471 20 0 CBADLP O=C1NCC[C@H]1[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000336736602 353050366 /nfs/dbraw/zinc/05/03/66/353050366.db2.gz YTKUBUCHRNZFEX-VXGBXAGGSA-N 2 2 253.346 -0.471 20 0 CBADLP C[C@@H]1C[N@H+](C)CCN1C[C@H](O)C[NH+]1CCOCC1 ZINC000336733398 353050411 /nfs/dbraw/zinc/05/04/11/353050411.db2.gz UDHCOGPFHIEYDA-CHWSQXEVSA-N 2 2 257.378 -0.685 20 0 CBADLP C[C@@H]1C[N@@H+](C)CCN1C[C@H](O)C[NH+]1CCOCC1 ZINC000336733398 353050412 /nfs/dbraw/zinc/05/04/12/353050412.db2.gz UDHCOGPFHIEYDA-CHWSQXEVSA-N 2 2 257.378 -0.685 20 0 CBADLP C[N@H+](CCn1cc[nH+]c1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000336792409 353053561 /nfs/dbraw/zinc/05/35/61/353053561.db2.gz RZOGBMQUXVPVGR-LLVKDONJSA-N 2 2 272.374 -0.151 20 0 CBADLP C[N@@H+](CCn1cc[nH+]c1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000336792409 353053564 /nfs/dbraw/zinc/05/35/64/353053564.db2.gz RZOGBMQUXVPVGR-LLVKDONJSA-N 2 2 272.374 -0.151 20 0 CBADLP C[C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)C[C@H](O)C[NH3+] ZINC000336794643 353054249 /nfs/dbraw/zinc/05/42/49/353054249.db2.gz DONYIDLSZAZMDW-IJLUTSLNSA-N 2 2 257.378 -0.067 20 0 CBADLP C[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000336794643 353054251 /nfs/dbraw/zinc/05/42/51/353054251.db2.gz DONYIDLSZAZMDW-IJLUTSLNSA-N 2 2 257.378 -0.067 20 0 CBADLP Cn1cc[nH+]c1N1CC[NH+](CCCS(N)(=O)=O)CC1 ZINC000336801803 353055811 /nfs/dbraw/zinc/05/58/11/353055811.db2.gz RIQPXGRAAZZLCX-UHFFFAOYSA-N 2 2 287.389 -0.779 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338248636 353090922 /nfs/dbraw/zinc/09/09/22/353090922.db2.gz AWTWOSQBZYIGIA-LBPRGKRZSA-N 2 2 255.362 -0.129 20 0 CBADLP C[C@H]1COCC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338248636 353090924 /nfs/dbraw/zinc/09/09/24/353090924.db2.gz AWTWOSQBZYIGIA-LBPRGKRZSA-N 2 2 255.362 -0.129 20 0 CBADLP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CC(N)=O)CC1 ZINC000153987546 188116033 /nfs/dbraw/zinc/11/60/33/188116033.db2.gz PXDGTFHXLRVGLT-STQMWFEESA-N 2 2 268.405 -0.038 20 0 CBADLP C[N@H+](CCN1CCOCC1)C1CC[NH+](CCO)CC1 ZINC000340844025 353189282 /nfs/dbraw/zinc/18/92/82/353189282.db2.gz LHEKTAGQHKHXBP-UHFFFAOYSA-N 2 2 271.405 -0.293 20 0 CBADLP C[N@@H+](CCN1CCOCC1)C1CC[NH+](CCO)CC1 ZINC000340844025 353189284 /nfs/dbraw/zinc/18/92/84/353189284.db2.gz LHEKTAGQHKHXBP-UHFFFAOYSA-N 2 2 271.405 -0.293 20 0 CBADLP Cn1cncc1C[NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000341187514 353204852 /nfs/dbraw/zinc/20/48/52/353204852.db2.gz CSUUWUJKMHTBFQ-GFCCVEGCSA-N 2 2 265.361 -0.151 20 0 CBADLP Cn1cncc1C[NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000341187514 353204854 /nfs/dbraw/zinc/20/48/54/353204854.db2.gz CSUUWUJKMHTBFQ-GFCCVEGCSA-N 2 2 265.361 -0.151 20 0 CBADLP COC(=O)c1cn(CC[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)nn1 ZINC000341277912 353208193 /nfs/dbraw/zinc/20/81/93/353208193.db2.gz SVLNWUCHLXSKFD-VHSXEESVSA-N 2 2 267.333 -0.396 20 0 CBADLP COC(=O)c1cn(CC[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)nn1 ZINC000341277912 353208195 /nfs/dbraw/zinc/20/81/95/353208195.db2.gz SVLNWUCHLXSKFD-VHSXEESVSA-N 2 2 267.333 -0.396 20 0 CBADLP CN(CC[NH+]1CCCC1)C(=O)C(=O)NCc1[nH+]ccn1C ZINC000342981935 353244629 /nfs/dbraw/zinc/24/46/29/353244629.db2.gz VIAMHNSSHBELRR-UHFFFAOYSA-N 2 2 293.371 -0.410 20 0 CBADLP C[C@@H](C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)[NH+]1CCOCC1 ZINC000343649275 353283055 /nfs/dbraw/zinc/28/30/55/353283055.db2.gz WPFFRGKWZIZQNQ-UONOGXRCSA-N 2 2 296.415 -0.787 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000343703546 353285329 /nfs/dbraw/zinc/28/53/29/353285329.db2.gz VYAUNPURMFXFTQ-KBPBESRZSA-N 2 2 296.415 -0.787 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000343703546 353285331 /nfs/dbraw/zinc/28/53/31/353285331.db2.gz VYAUNPURMFXFTQ-KBPBESRZSA-N 2 2 296.415 -0.787 20 0 CBADLP C[C@H]1COCC[NH+]1CCNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000343703546 353285333 /nfs/dbraw/zinc/28/53/33/353285333.db2.gz VYAUNPURMFXFTQ-KBPBESRZSA-N 2 2 296.415 -0.787 20 0 CBADLP C[C@H]1COCC[NH+]1CCNC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000343703546 353285335 /nfs/dbraw/zinc/28/53/35/353285335.db2.gz VYAUNPURMFXFTQ-KBPBESRZSA-N 2 2 296.415 -0.787 20 0 CBADLP C[C@H](CNC(=O)[C@H]1[NH2+]CCO[C@@H]1C)C[NH+]1CCN(C)CC1 ZINC000344348733 353304007 /nfs/dbraw/zinc/30/40/07/353304007.db2.gz QNOGYIHAOJMETA-MCIONIFRSA-N 2 2 298.431 -0.637 20 0 CBADLP C[C@H](CNC(=O)[C@H]1[NH2+]CCO[C@@H]1C)CN1CC[NH+](C)CC1 ZINC000344348733 353304010 /nfs/dbraw/zinc/30/40/10/353304010.db2.gz QNOGYIHAOJMETA-MCIONIFRSA-N 2 2 298.431 -0.637 20 0 CBADLP CCC[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000345420839 353329675 /nfs/dbraw/zinc/32/96/75/353329675.db2.gz FFHKJZAIKFAKDQ-LBPRGKRZSA-N 2 2 255.362 -0.129 20 0 CBADLP CCC[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000345420839 353329679 /nfs/dbraw/zinc/32/96/79/353329679.db2.gz FFHKJZAIKFAKDQ-LBPRGKRZSA-N 2 2 255.362 -0.129 20 0 CBADLP CN1CCOC[C@H]1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000345435130 353330437 /nfs/dbraw/zinc/33/04/37/353330437.db2.gz JAQZJDFJWXSODS-AWEZNQCLSA-N 2 2 298.431 -0.541 20 0 CBADLP C[C@H](O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000345145578 353313160 /nfs/dbraw/zinc/31/31/60/353313160.db2.gz ARPKNDFXCRKWQU-NSHDSACASA-N 2 2 257.378 -0.148 20 0 CBADLP C[C@H](O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000345145578 353313164 /nfs/dbraw/zinc/31/31/64/353313164.db2.gz ARPKNDFXCRKWQU-NSHDSACASA-N 2 2 257.378 -0.148 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@H](C)C[NH+](C)C ZINC000346128324 353363169 /nfs/dbraw/zinc/36/31/69/353363169.db2.gz DBBFNRJFCXKRRJ-LLVKDONJSA-N 2 2 272.393 -0.491 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@H](C)C[NH+](C)C ZINC000346128324 353363171 /nfs/dbraw/zinc/36/31/71/353363171.db2.gz DBBFNRJFCXKRRJ-LLVKDONJSA-N 2 2 272.393 -0.491 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH+]2CCSCC2)C1 ZINC000345631634 353340859 /nfs/dbraw/zinc/34/08/59/353340859.db2.gz DHEYBINHTMPYJA-LLVKDONJSA-N 2 2 273.402 -0.518 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)NCC[NH+]2CCSCC2)C1 ZINC000345631634 353340863 /nfs/dbraw/zinc/34/08/63/353340863.db2.gz DHEYBINHTMPYJA-LLVKDONJSA-N 2 2 273.402 -0.518 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)NCC[NH+]2CCSCC2)C1 ZINC000345631635 353340878 /nfs/dbraw/zinc/34/08/78/353340878.db2.gz DHEYBINHTMPYJA-NSHDSACASA-N 2 2 273.402 -0.518 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)NCC[NH+]2CCSCC2)C1 ZINC000345631635 353340880 /nfs/dbraw/zinc/34/08/80/353340880.db2.gz DHEYBINHTMPYJA-NSHDSACASA-N 2 2 273.402 -0.518 20 0 CBADLP C[C@H](CNC(=O)[C@@H]([NH3+])CC(F)F)[NH+]1CCOCC1 ZINC000345749337 353346029 /nfs/dbraw/zinc/34/60/29/353346029.db2.gz SUZOKZQCGSXPKI-BDAKNGLRSA-N 2 2 265.304 -0.194 20 0 CBADLP CS(=O)(=O)N1CCC[N@H+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000346819365 353393670 /nfs/dbraw/zinc/39/36/70/353393670.db2.gz BIFSTKDONLCWED-LBPRGKRZSA-N 2 2 275.418 -0.047 20 0 CBADLP CS(=O)(=O)N1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000346819365 353393671 /nfs/dbraw/zinc/39/36/71/353393671.db2.gz BIFSTKDONLCWED-LBPRGKRZSA-N 2 2 275.418 -0.047 20 0 CBADLP Cn1cc(C[N@@H+]2CCC[C@H]2C[NH3+])c(=O)n(C)c1=O ZINC000347025596 353395286 /nfs/dbraw/zinc/39/52/86/353395286.db2.gz SQTXLSBQKCVZGM-JTQLQIEISA-N 2 2 252.318 -0.993 20 0 CBADLP Cn1cc(C[N@H+]2CCC[C@H]2C[NH3+])c(=O)n(C)c1=O ZINC000347025596 353395288 /nfs/dbraw/zinc/39/52/88/353395288.db2.gz SQTXLSBQKCVZGM-JTQLQIEISA-N 2 2 252.318 -0.993 20 0 CBADLP Cc1[nH+]ccn1CC[NH+]1CCN(C(=O)CO)CC1 ZINC000348308560 353419784 /nfs/dbraw/zinc/41/97/84/353419784.db2.gz DOAOCQZPWPTREP-UHFFFAOYSA-N 2 2 252.318 -0.672 20 0 CBADLP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)N1CCOCC1 ZINC000261585206 137693770 /nfs/dbraw/zinc/69/37/70/137693770.db2.gz SVAIBNVMHKICCY-RYUDHWBXSA-N 2 2 253.346 -0.614 20 0 CBADLP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)N1CCOCC1 ZINC000261585206 137693771 /nfs/dbraw/zinc/69/37/71/137693771.db2.gz SVAIBNVMHKICCY-RYUDHWBXSA-N 2 2 253.346 -0.614 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)CCOC1C[NH2+]C1 ZINC000348987302 353443424 /nfs/dbraw/zinc/44/34/24/353443424.db2.gz FFDFZUXMRXJPAC-LLVKDONJSA-N 2 2 271.361 -0.798 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)CCOC1C[NH2+]C1 ZINC000348994945 353444079 /nfs/dbraw/zinc/44/40/79/353444079.db2.gz UKMZXLQTXCGDIO-JTQLQIEISA-N 2 2 252.318 -0.234 20 0 CBADLP CC(C)(CNC(=O)CCOC1C[NH2+]C1)[NH+]1CCOCC1 ZINC000349010569 353445023 /nfs/dbraw/zinc/44/50/23/353445023.db2.gz YEVVQHLGRRSWNR-UHFFFAOYSA-N 2 2 285.388 -0.408 20 0 CBADLP CCCNC(=O)[C@@H](C)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261606124 137695054 /nfs/dbraw/zinc/69/50/54/137695054.db2.gz RKUGJTFWMOPHBM-CHWSQXEVSA-N 2 2 268.405 -0.119 20 0 CBADLP C[C@@H]1OCC[C@@H]1[N@H+](CCO)C[C@H](O)C[NH+](C)C1CC1 ZINC000352364767 353482421 /nfs/dbraw/zinc/48/24/21/353482421.db2.gz IHXXXKKRMWSBBI-YUTCNCBUSA-N 2 2 272.389 -0.087 20 0 CBADLP C[C@@H]1OCC[C@@H]1[N@@H+](CCO)C[C@H](O)C[NH+](C)C1CC1 ZINC000352364767 353482422 /nfs/dbraw/zinc/48/24/22/353482422.db2.gz IHXXXKKRMWSBBI-YUTCNCBUSA-N 2 2 272.389 -0.087 20 0 CBADLP C[C@@H]1OCC[C@@H]1[NH+](CCO)C[C@H](O)C[N@H+](C)C1CC1 ZINC000352364767 353482424 /nfs/dbraw/zinc/48/24/24/353482424.db2.gz IHXXXKKRMWSBBI-YUTCNCBUSA-N 2 2 272.389 -0.087 20 0 CBADLP C[C@@H]1OCC[C@@H]1[NH+](CCO)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000352364767 353482426 /nfs/dbraw/zinc/48/24/26/353482426.db2.gz IHXXXKKRMWSBBI-YUTCNCBUSA-N 2 2 272.389 -0.087 20 0 CBADLP O=C(C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1)NCC1CCC1 ZINC000352503344 353488103 /nfs/dbraw/zinc/48/81/03/353488103.db2.gz FLKVKQZVCGXIPM-AWEZNQCLSA-N 2 2 280.416 -0.118 20 0 CBADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CC[NH+](C2CC2)CC1 ZINC000350050101 353470881 /nfs/dbraw/zinc/47/08/81/353470881.db2.gz MYLOYCMHBIPXPG-AWEZNQCLSA-N 2 2 295.431 -0.278 20 0 CBADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1CC[NH+](C2CC2)CC1 ZINC000350050101 353470883 /nfs/dbraw/zinc/47/08/83/353470883.db2.gz MYLOYCMHBIPXPG-AWEZNQCLSA-N 2 2 295.431 -0.278 20 0 CBADLP CC[NH+]1CCN(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC000350047974 353471201 /nfs/dbraw/zinc/47/12/01/353471201.db2.gz HGYCVHAEFHMEPE-CYBMUJFWSA-N 2 2 283.420 -0.421 20 0 CBADLP CC[NH+]1CCN(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC000350047974 353471206 /nfs/dbraw/zinc/47/12/06/353471206.db2.gz HGYCVHAEFHMEPE-CYBMUJFWSA-N 2 2 283.420 -0.421 20 0 CBADLP C[C@@H]1C[C@@H](C(=O)N[C@@H](CO)C[NH+]2CCOCC2)CC[N@@H+]1C ZINC000351507494 353475931 /nfs/dbraw/zinc/47/59/31/353475931.db2.gz ZQLHGRWZSGAHGA-HZSPNIEDSA-N 2 2 299.415 -0.474 20 0 CBADLP C[C@@H]1C[C@@H](C(=O)N[C@@H](CO)C[NH+]2CCOCC2)CC[N@H+]1C ZINC000351507494 353475932 /nfs/dbraw/zinc/47/59/32/353475932.db2.gz ZQLHGRWZSGAHGA-HZSPNIEDSA-N 2 2 299.415 -0.474 20 0 CBADLP C[N@@H+]1CCCC[C@@H]1CCN1CC[NH+](CC(N)=O)CC1 ZINC000351621656 353476724 /nfs/dbraw/zinc/47/67/24/353476724.db2.gz UJLBHCDNOPJFJW-CYBMUJFWSA-N 2 2 268.405 -0.036 20 0 CBADLP C[N@H+]1CCCC[C@@H]1CCN1CC[NH+](CC(N)=O)CC1 ZINC000351621656 353476726 /nfs/dbraw/zinc/47/67/26/353476726.db2.gz UJLBHCDNOPJFJW-CYBMUJFWSA-N 2 2 268.405 -0.036 20 0 CBADLP C[C@H](C[NH+](C)C)NC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000353090556 353520825 /nfs/dbraw/zinc/52/08/25/353520825.db2.gz SQFQPNZRNSPUML-NEPJUHHUSA-N 2 2 271.409 -0.519 20 0 CBADLP C[C@H](C[NH+](C)C)NC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000353090556 353520826 /nfs/dbraw/zinc/52/08/26/353520826.db2.gz SQFQPNZRNSPUML-NEPJUHHUSA-N 2 2 271.409 -0.519 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH+]2CCOC[C@@H]2C)C1 ZINC000353119137 353521933 /nfs/dbraw/zinc/52/19/33/353521933.db2.gz YWDXAEXTHABLHJ-QWHCGFSZSA-N 2 2 285.388 -0.456 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH+]2CCOC[C@@H]2C)C1 ZINC000353119137 353521935 /nfs/dbraw/zinc/52/19/35/353521935.db2.gz YWDXAEXTHABLHJ-QWHCGFSZSA-N 2 2 285.388 -0.456 20 0 CBADLP CC[NH+]1CCO[C@@H](C(=O)NCC[N@@H+]2CCOC[C@@H]2C)C1 ZINC000353119137 353521937 /nfs/dbraw/zinc/52/19/37/353521937.db2.gz YWDXAEXTHABLHJ-QWHCGFSZSA-N 2 2 285.388 -0.456 20 0 CBADLP CC[NH+]1CCO[C@@H](C(=O)NCC[N@H+]2CCOC[C@@H]2C)C1 ZINC000353119137 353521939 /nfs/dbraw/zinc/52/19/39/353521939.db2.gz YWDXAEXTHABLHJ-QWHCGFSZSA-N 2 2 285.388 -0.456 20 0 CBADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000353189544 353525722 /nfs/dbraw/zinc/52/57/22/353525722.db2.gz XXDAZDUOYFUUMT-HNNXBMFYSA-N 2 2 296.415 -0.216 20 0 CBADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@]2(C)CCC[NH2+]C2)CC1 ZINC000353189545 353526247 /nfs/dbraw/zinc/52/62/47/353526247.db2.gz XXDAZDUOYFUUMT-OAHLLOKOSA-N 2 2 296.415 -0.216 20 0 CBADLP COCC[N@@H+]1CC[C@@H]([NH2+]CCCn2cc(CO)nn2)C1 ZINC000353222923 353528851 /nfs/dbraw/zinc/52/88/51/353528851.db2.gz RQGDHNPNFAECOT-GFCCVEGCSA-N 2 2 283.376 -0.529 20 0 CBADLP COCC[N@H+]1CC[C@@H]([NH2+]CCCn2cc(CO)nn2)C1 ZINC000353222923 353528853 /nfs/dbraw/zinc/52/88/53/353528853.db2.gz RQGDHNPNFAECOT-GFCCVEGCSA-N 2 2 283.376 -0.529 20 0 CBADLP C[C@@H](CC(N)=O)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000353947724 353535751 /nfs/dbraw/zinc/53/57/51/353535751.db2.gz ORQGDSOIYMOSSC-WODVXLOZSA-N 2 2 296.415 -0.077 20 0 CBADLP C[C@@H](CC(N)=O)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000353947724 353535753 /nfs/dbraw/zinc/53/57/53/353535753.db2.gz ORQGDSOIYMOSSC-WODVXLOZSA-N 2 2 296.415 -0.077 20 0 CBADLP CC[N@H+]1CCN(C[C@@H](O)C[NH+]2CCOCC2)[C@@H](C)C1 ZINC000352690867 353501797 /nfs/dbraw/zinc/50/17/97/353501797.db2.gz FWQFGCMRZDUBNY-KBPBESRZSA-N 2 2 271.405 -0.295 20 0 CBADLP CC1(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)COC1 ZINC000352765433 353504617 /nfs/dbraw/zinc/50/46/17/353504617.db2.gz KKOBQEJCABRYFX-NSHDSACASA-N 2 2 255.362 -0.048 20 0 CBADLP CC1(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)COC1 ZINC000352765433 353504619 /nfs/dbraw/zinc/50/46/19/353504619.db2.gz KKOBQEJCABRYFX-NSHDSACASA-N 2 2 255.362 -0.048 20 0 CBADLP O=C1NC(=O)N2CC[N@H+](CCCn3cc[nH+]c3)C[C@@H]12 ZINC000352777979 353504997 /nfs/dbraw/zinc/50/49/97/353504997.db2.gz IPHQGGYGBSZBIV-JTQLQIEISA-N 2 2 263.301 -0.491 20 0 CBADLP O=C1NC(=O)N2CC[N@@H+](CCCn3cc[nH+]c3)C[C@@H]12 ZINC000352777979 353504998 /nfs/dbraw/zinc/50/49/98/353504998.db2.gz IPHQGGYGBSZBIV-JTQLQIEISA-N 2 2 263.301 -0.491 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000354670337 353576879 /nfs/dbraw/zinc/57/68/79/353576879.db2.gz ISIVOKFIFUTLLK-NEPJUHHUSA-N 2 2 293.371 -0.354 20 0 CBADLP C[C@@H](C[NH3+])C(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000357249294 353601897 /nfs/dbraw/zinc/60/18/97/353601897.db2.gz RQEWEYPJSRSPNE-STQMWFEESA-N 2 2 296.415 -0.264 20 0 CBADLP COCC[NH+]1CCC([NH2+][C@H]2CC(=O)N(C)C2)CC1 ZINC000358092024 353626243 /nfs/dbraw/zinc/62/62/43/353626243.db2.gz XROBROFBJNWYDW-LBPRGKRZSA-N 2 2 255.362 -0.083 20 0 CBADLP CCCC[N@H+](C)CCNC(=O)C(=O)NCc1[nH+]ccn1C ZINC000358096233 353626486 /nfs/dbraw/zinc/62/64/86/353626486.db2.gz LQRLAKLVWXTCOO-UHFFFAOYSA-N 2 2 295.387 -0.116 20 0 CBADLP CCCC[N@@H+](C)CCNC(=O)C(=O)NCc1[nH+]ccn1C ZINC000358096233 353626487 /nfs/dbraw/zinc/62/64/87/353626487.db2.gz LQRLAKLVWXTCOO-UHFFFAOYSA-N 2 2 295.387 -0.116 20 0 CBADLP COCCN1CC[C@@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC000358119593 353627788 /nfs/dbraw/zinc/62/77/88/353627788.db2.gz OTUMBMNBRRBMEU-OLZOCXBDSA-N 2 2 257.378 -0.637 20 0 CBADLP COCCN1CC[C@@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC000358119593 353627789 /nfs/dbraw/zinc/62/77/89/353627789.db2.gz OTUMBMNBRRBMEU-OLZOCXBDSA-N 2 2 257.378 -0.637 20 0 CBADLP CO[C@H](C)[C@H](C)[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000358159621 353630393 /nfs/dbraw/zinc/63/03/93/353630393.db2.gz REVXGMRZPWPGFH-BFHYXJOUSA-N 2 2 299.415 -0.068 20 0 CBADLP C[N@H+](CCCO)C1CC[NH+]([C@@H]2COC[C@H]2O)CC1 ZINC000361313718 353661036 /nfs/dbraw/zinc/66/10/36/353661036.db2.gz NYSFGLOLUDENSL-CHWSQXEVSA-N 2 2 258.362 -0.475 20 0 CBADLP C[N@@H+](CCCO)C1CC[NH+]([C@@H]2COC[C@H]2O)CC1 ZINC000361313718 353661037 /nfs/dbraw/zinc/66/10/37/353661037.db2.gz NYSFGLOLUDENSL-CHWSQXEVSA-N 2 2 258.362 -0.475 20 0 CBADLP Cc1nc(N2CC[NH+]([C@H]3COC[C@@H]3O)CC2)cc[nH+]1 ZINC000361337265 353661958 /nfs/dbraw/zinc/66/19/58/353661958.db2.gz UPFFTOYTMXYATE-RYUDHWBXSA-N 2 2 264.329 -0.333 20 0 CBADLP COCC[C@]1(C(=O)NC[C@H](C)[NH+]2CCOCC2)CC[NH2+]C1 ZINC000361723851 353664478 /nfs/dbraw/zinc/66/44/78/353664478.db2.gz ZFIPHDMVSDXEMQ-DZGCQCFKSA-N 2 2 299.415 -0.161 20 0 CBADLP COCCOCC[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362827580 353668276 /nfs/dbraw/zinc/66/82/76/353668276.db2.gz AECHZWZMSCTECX-ZDUSSCGKSA-N 2 2 285.388 -0.454 20 0 CBADLP COCC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364210349 353670958 /nfs/dbraw/zinc/67/09/58/353670958.db2.gz ZRIRCJRCXZWKNR-LLVKDONJSA-N 2 2 255.362 -0.083 20 0 CBADLP COCC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364210349 353670961 /nfs/dbraw/zinc/67/09/61/353670961.db2.gz ZRIRCJRCXZWKNR-LLVKDONJSA-N 2 2 255.362 -0.083 20 0 CBADLP COC(=O)[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[NH2+]2)C[NH2+]1 ZINC000365552955 353673846 /nfs/dbraw/zinc/67/38/46/353673846.db2.gz AAOJEZBQMRXFFA-LPEHRKFASA-N 2 2 255.318 -0.852 20 0 CBADLP O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)[C@H]1COCC[NH2+]1 ZINC000366408125 353676390 /nfs/dbraw/zinc/67/63/90/353676390.db2.gz LSCQRJVYWDJMIS-GFCCVEGCSA-N 2 2 291.355 -0.582 20 0 CBADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCCNS(C)(=O)=O ZINC000359677565 353654684 /nfs/dbraw/zinc/65/46/84/353654684.db2.gz MQFDZTMZVPPSLN-JQWIXIFHSA-N 2 2 275.418 -0.002 20 0 CBADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCCNS(C)(=O)=O ZINC000359677565 353654688 /nfs/dbraw/zinc/65/46/88/353654688.db2.gz MQFDZTMZVPPSLN-JQWIXIFHSA-N 2 2 275.418 -0.002 20 0 CBADLP C[NH+](C)CC(=O)N1CCC[C@H](C(=O)N2CC[NH+](C)CC2)C1 ZINC000372568378 353719436 /nfs/dbraw/zinc/71/94/36/353719436.db2.gz XHRIKOWGLVVJKX-ZDUSSCGKSA-N 2 2 296.415 -0.439 20 0 CBADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000372993546 353725298 /nfs/dbraw/zinc/72/52/98/353725298.db2.gz SSCNRQYSLAXRPV-UWVGGRQHSA-N 2 2 256.350 -0.014 20 0 CBADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000372993546 353725300 /nfs/dbraw/zinc/72/53/00/353725300.db2.gz SSCNRQYSLAXRPV-UWVGGRQHSA-N 2 2 256.350 -0.014 20 0 CBADLP C[C@H]([NH3+])C(=O)N1CC[N@H+](C[C@@H]2CN(C)CCO2)C[C@@H]1C ZINC000374798506 353749188 /nfs/dbraw/zinc/74/91/88/353749188.db2.gz JVFCKNVKPSYVCB-AVGNSLFASA-N 2 2 284.404 -0.803 20 0 CBADLP C[C@H]([NH3+])C(=O)N1CC[N@@H+](C[C@@H]2CN(C)CCO2)C[C@@H]1C ZINC000374798506 353749192 /nfs/dbraw/zinc/74/91/92/353749192.db2.gz JVFCKNVKPSYVCB-AVGNSLFASA-N 2 2 284.404 -0.803 20 0 CBADLP C[N@@H+]1CC[C@@H]2CCN(C[C@@H](O)C[NH+]3CCOCC3)C[C@H]21 ZINC000375033668 353752998 /nfs/dbraw/zinc/75/29/98/353752998.db2.gz ATTPWAWNWBMFAT-QLFBSQMISA-N 2 2 283.416 -0.295 20 0 CBADLP C[N@H+]1CC[C@@H]2CCN(C[C@@H](O)C[NH+]3CCOCC3)C[C@H]21 ZINC000375033668 353753000 /nfs/dbraw/zinc/75/30/00/353753000.db2.gz ATTPWAWNWBMFAT-QLFBSQMISA-N 2 2 283.416 -0.295 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCO[C@@H](C3CC3)C2)CC1 ZINC000375339519 353759708 /nfs/dbraw/zinc/75/97/08/353759708.db2.gz AJLXZDIBGVJMGM-CYBMUJFWSA-N 2 2 267.373 -0.129 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CCO[C@@H](C3CC3)C2)CC1 ZINC000375339519 353759709 /nfs/dbraw/zinc/75/97/09/353759709.db2.gz AJLXZDIBGVJMGM-CYBMUJFWSA-N 2 2 267.373 -0.129 20 0 CBADLP COC(=O)CNC(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375754415 353766906 /nfs/dbraw/zinc/76/69/06/353766906.db2.gz CUKOEZDICARMCK-FOSCPWQOSA-N 2 2 283.372 -0.167 20 0 CBADLP COC(=O)CNC(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375754415 353766908 /nfs/dbraw/zinc/76/69/08/353766908.db2.gz CUKOEZDICARMCK-FOSCPWQOSA-N 2 2 283.372 -0.167 20 0 CBADLP COC(=O)CNC(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375754415 353766910 /nfs/dbraw/zinc/76/69/10/353766910.db2.gz CUKOEZDICARMCK-FOSCPWQOSA-N 2 2 283.372 -0.167 20 0 CBADLP COC(=O)CNC(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375754415 353766911 /nfs/dbraw/zinc/76/69/11/353766911.db2.gz CUKOEZDICARMCK-FOSCPWQOSA-N 2 2 283.372 -0.167 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H]3CC[NH2+]C3)C2)CC1 ZINC000377198688 353777886 /nfs/dbraw/zinc/77/78/86/353777886.db2.gz QSTOEYNNHUCFLB-QWHCGFSZSA-N 3 2 280.416 -0.119 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@H]3CC[NH2+]C3)C2)CC1 ZINC000377198688 353777889 /nfs/dbraw/zinc/77/78/89/353777889.db2.gz QSTOEYNNHUCFLB-QWHCGFSZSA-N 3 2 280.416 -0.119 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](C(=O)OC)C1 ZINC000380527751 353782730 /nfs/dbraw/zinc/78/27/30/353782730.db2.gz JZTNUVNHTJTCOW-STQMWFEESA-N 2 2 288.388 -0.190 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](C(=O)OC)C1 ZINC000380527751 353782731 /nfs/dbraw/zinc/78/27/31/353782731.db2.gz JZTNUVNHTJTCOW-STQMWFEESA-N 2 2 288.388 -0.190 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](C(=O)OC)C1 ZINC000380527751 353782734 /nfs/dbraw/zinc/78/27/34/353782734.db2.gz JZTNUVNHTJTCOW-STQMWFEESA-N 2 2 288.388 -0.190 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](C(=O)OC)C1 ZINC000380527751 353782736 /nfs/dbraw/zinc/78/27/36/353782736.db2.gz JZTNUVNHTJTCOW-STQMWFEESA-N 2 2 288.388 -0.190 20 0 CBADLP C[C@@H](C(=O)N1CC[NH+]([C@@H]2CCCCNC2=O)CC1)[C@H](C)[NH3+] ZINC000373801635 353736528 /nfs/dbraw/zinc/73/65/28/353736528.db2.gz VUOYYFTUIUGBKY-FRRDWIJNSA-N 2 2 296.415 -0.217 20 0 CBADLP CN(C)C(=O)N1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000401690436 353802832 /nfs/dbraw/zinc/80/28/32/353802832.db2.gz PWMYYSKGIGABSA-UHFFFAOYSA-N 2 2 269.393 -0.809 20 0 CBADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000405446838 353807835 /nfs/dbraw/zinc/80/78/35/353807835.db2.gz MYXHURGCUIUIFR-HBNTYKKESA-N 2 2 286.376 -0.484 20 0 CBADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000405446838 353807838 /nfs/dbraw/zinc/80/78/38/353807838.db2.gz MYXHURGCUIUIFR-HBNTYKKESA-N 2 2 286.376 -0.484 20 0 CBADLP Cn1cc[nH+]c1CNC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000408025910 353827826 /nfs/dbraw/zinc/82/78/26/353827826.db2.gz FBQVMPOXYYRIFE-LLVKDONJSA-N 2 2 263.345 -0.574 20 0 CBADLP Cn1cc[nH+]c1CNC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000408025910 353827827 /nfs/dbraw/zinc/82/78/27/353827827.db2.gz FBQVMPOXYYRIFE-LLVKDONJSA-N 2 2 263.345 -0.574 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)N2CC[NH+](C[C@H](C)O)[C@@H](C)C2)[N@H+](C)C1 ZINC000408037531 353832084 /nfs/dbraw/zinc/83/20/84/353832084.db2.gz AQXPKQJWLSUPQE-XUXIUFHCSA-N 2 2 299.415 -0.381 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)N2CC[NH+](C[C@H](C)O)[C@@H](C)C2)[N@@H+](C)C1 ZINC000408037531 353832086 /nfs/dbraw/zinc/83/20/86/353832086.db2.gz AQXPKQJWLSUPQE-XUXIUFHCSA-N 2 2 299.415 -0.381 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)[NH+](C)C1 ZINC000408037531 353832090 /nfs/dbraw/zinc/83/20/90/353832090.db2.gz AQXPKQJWLSUPQE-XUXIUFHCSA-N 2 2 299.415 -0.381 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)[NH+](C)C1 ZINC000408037531 353832092 /nfs/dbraw/zinc/83/20/92/353832092.db2.gz AQXPKQJWLSUPQE-XUXIUFHCSA-N 2 2 299.415 -0.381 20 0 CBADLP CCN(C)C(=O)[C@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000386469631 353788308 /nfs/dbraw/zinc/78/83/08/353788308.db2.gz UOVCOLYGJCNITO-CMPLNLGQSA-N 2 2 257.378 -0.102 20 0 CBADLP CCN(C)C(=O)[C@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000386469631 353788311 /nfs/dbraw/zinc/78/83/11/353788311.db2.gz UOVCOLYGJCNITO-CMPLNLGQSA-N 2 2 257.378 -0.102 20 0 CBADLP CS(=O)(=O)C1(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000393704159 353793645 /nfs/dbraw/zinc/79/36/45/353793645.db2.gz GWSCGHBFPPCZFX-LLVKDONJSA-N 2 2 276.402 -0.390 20 0 CBADLP CC[C@](C)([NH3+])c1cn(C[C@@H](O)C[NH+]2CCOCC2)nn1 ZINC000395262274 353795341 /nfs/dbraw/zinc/79/53/41/353795341.db2.gz JPLGVMDMOWTLFW-AAEUAGOBSA-N 2 2 283.376 -0.445 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000408148329 353858822 /nfs/dbraw/zinc/85/88/22/353858822.db2.gz BLIXFHPDBMRNKG-CYBMUJFWSA-N 2 2 282.388 -0.639 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000408148329 353858824 /nfs/dbraw/zinc/85/88/24/353858824.db2.gz BLIXFHPDBMRNKG-CYBMUJFWSA-N 2 2 282.388 -0.639 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000408269199 353882676 /nfs/dbraw/zinc/88/26/76/353882676.db2.gz BCAMDTSLOXDPPP-NEPJUHHUSA-N 2 2 271.361 -0.846 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000408269199 353882680 /nfs/dbraw/zinc/88/26/80/353882680.db2.gz BCAMDTSLOXDPPP-NEPJUHHUSA-N 2 2 271.361 -0.846 20 0 CBADLP C[C@@H]1COCC[NH+]1CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000408269199 353882681 /nfs/dbraw/zinc/88/26/81/353882681.db2.gz BCAMDTSLOXDPPP-NEPJUHHUSA-N 2 2 271.361 -0.846 20 0 CBADLP C[C@@H]1COCC[NH+]1CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000408269199 353882684 /nfs/dbraw/zinc/88/26/84/353882684.db2.gz BCAMDTSLOXDPPP-NEPJUHHUSA-N 2 2 271.361 -0.846 20 0 CBADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2C[C@@H](O)[C@@H](O)C2)CC1 ZINC000408443673 353920174 /nfs/dbraw/zinc/92/01/74/353920174.db2.gz QRSUTWHCGRFZMH-BETUJISGSA-N 2 2 285.388 -0.987 20 0 CBADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2C[C@@H](O)[C@@H](O)C2)CC1 ZINC000408443673 353920177 /nfs/dbraw/zinc/92/01/77/353920177.db2.gz QRSUTWHCGRFZMH-BETUJISGSA-N 2 2 285.388 -0.987 20 0 CBADLP CCN(CCC[NH+](C)C)C(=O)C(=O)N1CC[NH+](CC)CC1 ZINC000410805994 353937235 /nfs/dbraw/zinc/93/72/35/353937235.db2.gz CMMHJLCSEXTYEL-UHFFFAOYSA-N 2 2 298.431 -0.049 20 0 CBADLP C[C@H]1C[NH2+]CCN1C(=O)NCC[NH+]1CCOCC1 ZINC000416431021 353968771 /nfs/dbraw/zinc/96/87/71/353968771.db2.gz GGYFRBBPSKHFCN-NSHDSACASA-N 2 2 256.350 -0.678 20 0 CBADLP C[NH2+]C[C@H](C)CNC(=O)NCC[NH+]1CCOCC1 ZINC000416432410 353969252 /nfs/dbraw/zinc/96/92/52/353969252.db2.gz KBENPGWHGZOPPF-NSHDSACASA-N 2 2 258.366 -0.527 20 0 CBADLP C[C@H]1CCN(C(=O)NCC[NH+]2CCOCC2)C[C@@H]1C[NH3+] ZINC000416443068 353970025 /nfs/dbraw/zinc/97/00/25/353970025.db2.gz GNOSGEKFWMABPB-STQMWFEESA-N 2 2 284.404 -0.055 20 0 CBADLP C[C@H](C[NH3+])NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000416829099 353973500 /nfs/dbraw/zinc/97/35/00/353973500.db2.gz PIUNMFWECGGHRG-SNVBAGLBSA-N 2 2 258.366 -0.256 20 0 CBADLP C[NH2+]C[C@H](C)CNC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000417001062 353974480 /nfs/dbraw/zinc/97/44/80/353974480.db2.gz DKIHVRADTCPHST-NWDGAFQWSA-N 2 2 272.393 -0.138 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000417015352 353974881 /nfs/dbraw/zinc/97/48/81/353974881.db2.gz BOSUJGWRDFXEAS-RYUDHWBXSA-N 2 2 270.377 -0.242 20 0 CBADLP CC1(C)C[N@H+](CCNC(=O)NCCC[NH3+])CCO1 ZINC000417429233 353977695 /nfs/dbraw/zinc/97/76/95/353977695.db2.gz USMNKRHWRLNFNX-UHFFFAOYSA-N 2 2 258.366 -0.255 20 0 CBADLP CC1(C)C[N@@H+](CCNC(=O)NCCC[NH3+])CCO1 ZINC000417429233 353977698 /nfs/dbraw/zinc/97/76/98/353977698.db2.gz USMNKRHWRLNFNX-UHFFFAOYSA-N 2 2 258.366 -0.255 20 0 CBADLP C[NH2+][C@H]1CCN(C(=O)NCC[N@@H+]2CCOC[C@H]2C)C1 ZINC000417502837 353978736 /nfs/dbraw/zinc/97/87/36/353978736.db2.gz CAMBBQFSWJVBTM-NEPJUHHUSA-N 2 2 270.377 -0.290 20 0 CBADLP C[NH2+][C@H]1CCN(C(=O)NCC[N@H+]2CCOC[C@H]2C)C1 ZINC000417502837 353978738 /nfs/dbraw/zinc/97/87/38/353978738.db2.gz CAMBBQFSWJVBTM-NEPJUHHUSA-N 2 2 270.377 -0.290 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NC[C@H]1CCC[NH2+]1 ZINC000417531908 353979432 /nfs/dbraw/zinc/97/94/32/353979432.db2.gz VGMMHWQJFDCIBL-VXGBXAGGSA-N 2 2 270.377 -0.242 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NC[C@H]1CCC[NH2+]1 ZINC000417531908 353979433 /nfs/dbraw/zinc/97/94/33/353979433.db2.gz VGMMHWQJFDCIBL-VXGBXAGGSA-N 2 2 270.377 -0.242 20 0 CBADLP [NH3+]CC(F)(F)CNC(=O)NCC[N@@H+]1CCCOCC1 ZINC000418232808 353989539 /nfs/dbraw/zinc/98/95/39/353989539.db2.gz ZTDDVPPVDQGDJC-UHFFFAOYSA-N 2 2 280.319 -0.398 20 0 CBADLP [NH3+]CC(F)(F)CNC(=O)NCC[N@H+]1CCCOCC1 ZINC000418232808 353989542 /nfs/dbraw/zinc/98/95/42/353989542.db2.gz ZTDDVPPVDQGDJC-UHFFFAOYSA-N 2 2 280.319 -0.398 20 0 CBADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)NCC[NH2+]C)CC1 ZINC000418320239 353992844 /nfs/dbraw/zinc/99/28/44/353992844.db2.gz UJFPPEJXEXKLLT-UHFFFAOYSA-N 2 2 299.419 -0.599 20 0 CBADLP C[C@H](O)CNc1cc(N2CC[N@H+](CCO)[C@H](C)C2)nc[nH+]1 ZINC000413249640 353952592 /nfs/dbraw/zinc/95/25/92/353952592.db2.gz MNKCQZGESPGKDY-NEPJUHHUSA-N 2 2 295.387 -0.228 20 0 CBADLP C[C@H](O)CNc1cc(N2CC[N@@H+](CCO)[C@H](C)C2)nc[nH+]1 ZINC000413249640 353952594 /nfs/dbraw/zinc/95/25/94/353952594.db2.gz MNKCQZGESPGKDY-NEPJUHHUSA-N 2 2 295.387 -0.228 20 0 CBADLP C[C@@H](O)CNc1cc(N2CC[N@H+](CCO)[C@H](C)C2)nc[nH+]1 ZINC000413249646 353952794 /nfs/dbraw/zinc/95/27/94/353952794.db2.gz MNKCQZGESPGKDY-VXGBXAGGSA-N 2 2 295.387 -0.228 20 0 CBADLP C[C@@H](O)CNc1cc(N2CC[N@@H+](CCO)[C@H](C)C2)nc[nH+]1 ZINC000413249646 353952796 /nfs/dbraw/zinc/95/27/96/353952796.db2.gz MNKCQZGESPGKDY-VXGBXAGGSA-N 2 2 295.387 -0.228 20 0 CBADLP C[C@H](O)CNc1cc(N2CC[N@H+](CCO)C[C@@H]2C)nc[nH+]1 ZINC000413309824 353953509 /nfs/dbraw/zinc/95/35/09/353953509.db2.gz BOENKRHZJUNZOR-RYUDHWBXSA-N 2 2 295.387 -0.228 20 0 CBADLP C[C@H](O)CNc1cc(N2CC[N@@H+](CCO)C[C@@H]2C)nc[nH+]1 ZINC000413309824 353953512 /nfs/dbraw/zinc/95/35/12/353953512.db2.gz BOENKRHZJUNZOR-RYUDHWBXSA-N 2 2 295.387 -0.228 20 0 CBADLP COC(=O)[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CC[N@H+](C)C1 ZINC000413923571 353960543 /nfs/dbraw/zinc/96/05/43/353960543.db2.gz RGJRRASMVAAPDT-LBPRGKRZSA-N 2 2 294.355 -0.164 20 0 CBADLP COC(=O)[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CC[N@@H+](C)C1 ZINC000413923571 353960547 /nfs/dbraw/zinc/96/05/47/353960547.db2.gz RGJRRASMVAAPDT-LBPRGKRZSA-N 2 2 294.355 -0.164 20 0 CBADLP CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C(C)(C)C[NH+]1CCOCC1 ZINC000414048406 353962184 /nfs/dbraw/zinc/96/21/84/353962184.db2.gz FUHOLTRTLYAEPI-ZDUSSCGKSA-N 2 2 299.415 -0.114 20 0 CBADLP CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C(C)(C)C[NH+]1CCOCC1 ZINC000414048406 353962189 /nfs/dbraw/zinc/96/21/89/353962189.db2.gz FUHOLTRTLYAEPI-ZDUSSCGKSA-N 2 2 299.415 -0.114 20 0 CBADLP C[C@@H](C[NH3+])CNC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000418495608 353999122 /nfs/dbraw/zinc/99/91/22/353999122.db2.gz UOTRKTBFLSEJGV-SDDRHHMPSA-N 2 2 270.377 -0.256 20 0 CBADLP C[C@@H](C[NH3+])CNC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000418495608 353999126 /nfs/dbraw/zinc/99/91/26/353999126.db2.gz UOTRKTBFLSEJGV-SDDRHHMPSA-N 2 2 270.377 -0.256 20 0 CBADLP COCC[NH+]1CCN(C(=O)NCC(F)(F)C[NH3+])CC1 ZINC000418522277 354000992 /nfs/dbraw/zinc/00/09/92/354000992.db2.gz IXSBLFNIEJITDC-UHFFFAOYSA-N 2 2 280.319 -0.446 20 0 CBADLP C[C@@H]1CN(C(=O)C(=O)NCCCn2cc[nH+]c2)C[C@H](C)[NH2+]1 ZINC000419721488 354073160 /nfs/dbraw/zinc/07/31/60/354073160.db2.gz KBJNGUFSHIVCPL-TXEJJXNPSA-N 2 2 293.371 -0.402 20 0 CBADLP C[NH2+]CCCNC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000419847257 354084212 /nfs/dbraw/zinc/08/42/12/354084212.db2.gz QZSPPEZLVDKIEQ-UHFFFAOYSA-N 2 2 268.361 -0.981 20 0 CBADLP O=C(NCC[C@H]1CCC[NH2+]1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000419940916 354094244 /nfs/dbraw/zinc/09/42/44/354094244.db2.gz VPURIKSSHLSVMC-GFCCVEGCSA-N 2 2 294.399 -0.449 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N[C@@H](C[NH3+])CC(C)C)CC1 ZINC000419952993 354096466 /nfs/dbraw/zinc/09/64/66/354096466.db2.gz KWEYUXWLQWJSDN-GFCCVEGCSA-N 2 2 284.404 -0.360 20 0 CBADLP C[C@H](C[NH3+])CNC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000419961950 354097312 /nfs/dbraw/zinc/09/73/12/354097312.db2.gz UPNMZFZXHVSABG-SNVBAGLBSA-N 2 2 268.361 -0.996 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)CC1 ZINC000420045102 354105200 /nfs/dbraw/zinc/10/52/00/354105200.db2.gz ULXWADCVRXBJNW-LLVKDONJSA-N 2 2 268.361 -0.996 20 0 CBADLP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000420133062 354111046 /nfs/dbraw/zinc/11/10/46/354111046.db2.gz YNNRIBPLPICJKU-LBPRGKRZSA-N 2 2 296.415 -0.073 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N[C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000420144101 354112322 /nfs/dbraw/zinc/11/23/22/354112322.db2.gz MJOCQOMVNIHYFT-NEPJUHHUSA-N 2 2 282.388 -0.735 20 0 CBADLP C[C@@H]([NH3+])[C@@H](C)Nc1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000420266496 354120828 /nfs/dbraw/zinc/12/08/28/354120828.db2.gz QTDJPINFIRTBCM-NXEZZACHSA-N 2 2 278.360 -0.097 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@@H]([NH3+])C2)CC1 ZINC000420279974 354120843 /nfs/dbraw/zinc/12/08/43/354120843.db2.gz XZRXYNYUUSJTSM-GFCCVEGCSA-N 3 2 254.378 -0.426 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@@H]([NH3+])C2)CC1 ZINC000420279974 354120844 /nfs/dbraw/zinc/12/08/44/354120844.db2.gz XZRXYNYUUSJTSM-GFCCVEGCSA-N 3 2 254.378 -0.426 20 0 CBADLP CCOC(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000420282610 354121953 /nfs/dbraw/zinc/12/19/53/354121953.db2.gz BSMWMVFUBYKLRG-GFCCVEGCSA-N 2 2 283.372 -0.307 20 0 CBADLP CCOC(=O)C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000420282610 354121954 /nfs/dbraw/zinc/12/19/54/354121954.db2.gz BSMWMVFUBYKLRG-GFCCVEGCSA-N 2 2 283.372 -0.307 20 0 CBADLP C[NH2+]C[C@@H]1CCC[N@@H+]1CCC(=O)N(C)CC(=O)OC ZINC000420295066 354122003 /nfs/dbraw/zinc/12/20/03/354122003.db2.gz UQLJLPVNRRTQRF-NSHDSACASA-N 2 2 271.361 -0.308 20 0 CBADLP C[NH2+]C[C@@H]1CCC[N@H+]1CCC(=O)N(C)CC(=O)OC ZINC000420295066 354122004 /nfs/dbraw/zinc/12/20/04/354122004.db2.gz UQLJLPVNRRTQRF-NSHDSACASA-N 2 2 271.361 -0.308 20 0 CBADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420309641 354123164 /nfs/dbraw/zinc/12/31/64/354123164.db2.gz OYEZOYFQLLKQBE-KGLIPLIRSA-N 3 2 280.416 -0.118 20 0 CBADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420309641 354123166 /nfs/dbraw/zinc/12/31/66/354123166.db2.gz OYEZOYFQLLKQBE-KGLIPLIRSA-N 3 2 280.416 -0.118 20 0 CBADLP COC[C@@H](C)NC(=O)NC(=O)C[N@H+](C)C1CC([NH3+])C1 ZINC000420345151 354124534 /nfs/dbraw/zinc/12/45/34/354124534.db2.gz ZCCLSIZBKFVFHE-XNWIYYODSA-N 2 2 272.349 -0.731 20 0 CBADLP COC[C@@H](C)NC(=O)NC(=O)C[N@@H+](C)C1CC([NH3+])C1 ZINC000420345151 354124535 /nfs/dbraw/zinc/12/45/35/354124535.db2.gz ZCCLSIZBKFVFHE-XNWIYYODSA-N 2 2 272.349 -0.731 20 0 CBADLP Cc1cccc(CNC(=O)C[N@H+](C)C[C@H](O)C[NH3+])c1 ZINC000420354121 354125441 /nfs/dbraw/zinc/12/54/41/354125441.db2.gz OEDZQTCRUFYZIV-CYBMUJFWSA-N 2 2 265.357 -0.137 20 0 CBADLP Cc1cccc(CNC(=O)C[N@@H+](C)C[C@H](O)C[NH3+])c1 ZINC000420354121 354125444 /nfs/dbraw/zinc/12/54/44/354125444.db2.gz OEDZQTCRUFYZIV-CYBMUJFWSA-N 2 2 265.357 -0.137 20 0 CBADLP CC(C)CN(C(=O)C[N@H+](C)C[C@@H](O)C[NH3+])C1CC1 ZINC000420359411 354125454 /nfs/dbraw/zinc/12/54/54/354125454.db2.gz VWUVFTPWZOKMOG-LBPRGKRZSA-N 2 2 257.378 -0.115 20 0 CBADLP CC(C)CN(C(=O)C[N@@H+](C)C[C@@H](O)C[NH3+])C1CC1 ZINC000420359411 354125455 /nfs/dbraw/zinc/12/54/55/354125455.db2.gz VWUVFTPWZOKMOG-LBPRGKRZSA-N 2 2 257.378 -0.115 20 0 CBADLP CC(C)CN(C(=O)C[N@H+](C)C[C@H](O)C[NH3+])C1CC1 ZINC000420359409 354125698 /nfs/dbraw/zinc/12/56/98/354125698.db2.gz VWUVFTPWZOKMOG-GFCCVEGCSA-N 2 2 257.378 -0.115 20 0 CBADLP CC(C)CN(C(=O)C[N@@H+](C)C[C@H](O)C[NH3+])C1CC1 ZINC000420359409 354125700 /nfs/dbraw/zinc/12/57/00/354125700.db2.gz VWUVFTPWZOKMOG-GFCCVEGCSA-N 2 2 257.378 -0.115 20 0 CBADLP CCNC(=O)NC(=O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000420367681 354126816 /nfs/dbraw/zinc/12/68/16/354126816.db2.gz NAWMKYUCMJPQEV-WCABBAIRSA-N 2 2 256.350 -0.192 20 0 CBADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC000420379113 354127123 /nfs/dbraw/zinc/12/71/23/354127123.db2.gz XKIKRQJFTTVCRH-MDZLAQPJSA-N 2 2 255.362 -0.179 20 0 CBADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000423201971 354165976 /nfs/dbraw/zinc/16/59/76/354165976.db2.gz JVHUQFIEZADJLS-JSGCOSHPSA-N 3 2 252.406 -0.036 20 0 CBADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCN1CC[NH2+]CC1 ZINC000423201971 354165980 /nfs/dbraw/zinc/16/59/80/354165980.db2.gz JVHUQFIEZADJLS-JSGCOSHPSA-N 3 2 252.406 -0.036 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@H]2C[C@@H](C)CC[NH2+]2)CC1 ZINC000423346318 354170306 /nfs/dbraw/zinc/17/03/06/354170306.db2.gz ZUEKDARPCJFSMB-GXTWGEPZSA-N 2 2 296.415 -0.345 20 0 CBADLP COC(=O)C[C@H]([NH3+])C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000423355288 354171323 /nfs/dbraw/zinc/17/13/23/354171323.db2.gz HUZVWZCHMUOGCG-QWRGUYRKSA-N 2 2 269.345 -0.427 20 0 CBADLP COC(=O)C[C@H]([NH3+])C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000423355288 354171329 /nfs/dbraw/zinc/17/13/29/354171329.db2.gz HUZVWZCHMUOGCG-QWRGUYRKSA-N 2 2 269.345 -0.427 20 0 CBADLP COC[C@]1(C(=O)NCC[N@@H+]2CCOC[C@H]2C)CC[NH2+]C1 ZINC000423365405 354172754 /nfs/dbraw/zinc/17/27/54/354172754.db2.gz BPUFURCYGJOCOQ-OCCSQVGLSA-N 2 2 285.388 -0.551 20 0 CBADLP COC[C@]1(C(=O)NCC[N@H+]2CCOC[C@H]2C)CC[NH2+]C1 ZINC000423365405 354172755 /nfs/dbraw/zinc/17/27/55/354172755.db2.gz BPUFURCYGJOCOQ-OCCSQVGLSA-N 2 2 285.388 -0.551 20 0 CBADLP CC1(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C[NH2+]C1 ZINC000423369766 354172759 /nfs/dbraw/zinc/17/27/59/354172759.db2.gz TXJOCSXFZGBVEB-CQSZACIVSA-N 2 2 299.440 -0.080 20 0 CBADLP COC[C@@]1(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC[NH2+]C1 ZINC000423392306 354174909 /nfs/dbraw/zinc/17/49/09/354174909.db2.gz PYISNSIMRSNCBI-OAHLLOKOSA-N 2 2 299.415 -0.161 20 0 CBADLP COC[C@@]1(C(=O)NCC[N@H+]2CCOC(C)(C)C2)CC[NH2+]C1 ZINC000423392306 354174911 /nfs/dbraw/zinc/17/49/11/354174911.db2.gz PYISNSIMRSNCBI-OAHLLOKOSA-N 2 2 299.415 -0.161 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@@H](NC(C)=O)C2)CC1 ZINC000420987577 354139060 /nfs/dbraw/zinc/13/90/60/354139060.db2.gz OMLXBHOIEPTNJZ-TZMCWYRMSA-N 2 2 296.415 -0.251 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@@H](NC(C)=O)C2)CC1 ZINC000420987577 354139062 /nfs/dbraw/zinc/13/90/62/354139062.db2.gz OMLXBHOIEPTNJZ-TZMCWYRMSA-N 2 2 296.415 -0.251 20 0 CBADLP O=C([C@@H]1COCC[N@@H+]1CC1CCC1)N1CC[NH2+]CC1 ZINC000422706381 354151931 /nfs/dbraw/zinc/15/19/31/354151931.db2.gz UHFRQVFHTXUHGW-ZDUSSCGKSA-N 2 2 267.373 -0.081 20 0 CBADLP O=C([C@@H]1COCC[N@H+]1CC1CCC1)N1CC[NH2+]CC1 ZINC000422706381 354151935 /nfs/dbraw/zinc/15/19/35/354151935.db2.gz UHFRQVFHTXUHGW-ZDUSSCGKSA-N 2 2 267.373 -0.081 20 0 CBADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1N[C@@H]1C[NH2+]CCC1(F)F ZINC000423491859 354177305 /nfs/dbraw/zinc/17/73/05/354177305.db2.gz ZTPLWEOTGJEIAO-IVZWLZJFSA-N 2 2 277.315 -0.133 20 0 CBADLP CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000422755598 354153588 /nfs/dbraw/zinc/15/35/88/354153588.db2.gz FWPBAWJNEGMIFE-BFHYXJOUSA-N 2 2 299.415 -0.162 20 0 CBADLP C[NH2+]CCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000422778260 354154673 /nfs/dbraw/zinc/15/46/73/354154673.db2.gz HCGHUNIKEOFHRE-GFCCVEGCSA-N 2 2 255.362 -0.035 20 0 CBADLP C[NH2+]CCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000422778260 354154678 /nfs/dbraw/zinc/15/46/78/354154678.db2.gz HCGHUNIKEOFHRE-GFCCVEGCSA-N 2 2 255.362 -0.035 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)CC1 ZINC000422973782 354158650 /nfs/dbraw/zinc/15/86/50/354158650.db2.gz CRVZYGGJINEATI-IUODEOHRSA-N 2 2 296.415 -0.406 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2CCC([C@@H](C)[NH3+])CC2)CC1 ZINC000422974369 354158780 /nfs/dbraw/zinc/15/87/80/354158780.db2.gz DRTBNPGDKBFSEU-GFCCVEGCSA-N 2 2 296.415 -0.264 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]([NH2+]C)C2)CC1 ZINC000422982887 354159379 /nfs/dbraw/zinc/15/93/79/354159379.db2.gz XZJQIGVYXNXACP-GFCCVEGCSA-N 2 2 282.388 -0.639 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2CCC[C@H](C[NH2+]C)C2)CC1 ZINC000422982199 354159485 /nfs/dbraw/zinc/15/94/85/354159485.db2.gz VXRWEJOOTFVVNK-CYBMUJFWSA-N 2 2 296.415 -0.392 20 0 CBADLP O=C(NCC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)c1ccn[nH]1 ZINC000423044682 354160311 /nfs/dbraw/zinc/16/03/11/354160311.db2.gz REZLSTWNOOGQIG-STQMWFEESA-N 2 2 293.371 -0.504 20 0 CBADLP O=C(NCC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)c1ccn[nH]1 ZINC000423044681 354160427 /nfs/dbraw/zinc/16/04/27/354160427.db2.gz REZLSTWNOOGQIG-QWHCGFSZSA-N 2 2 293.371 -0.504 20 0 CBADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCC[NH2+]CCOC ZINC000423512041 354179079 /nfs/dbraw/zinc/17/90/79/354179079.db2.gz KTYNKLZIERSGMI-CYBMUJFWSA-N 2 2 287.404 -0.161 20 0 CBADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NCC[NH2+]CCOC ZINC000423512041 354179082 /nfs/dbraw/zinc/17/90/82/354179082.db2.gz KTYNKLZIERSGMI-CYBMUJFWSA-N 2 2 287.404 -0.161 20 0 CBADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423543282 354179644 /nfs/dbraw/zinc/17/96/44/354179644.db2.gz UVGSUPDITHJQJH-STQMWFEESA-N 2 2 285.388 -0.327 20 0 CBADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423543282 354179647 /nfs/dbraw/zinc/17/96/47/354179647.db2.gz UVGSUPDITHJQJH-STQMWFEESA-N 2 2 285.388 -0.327 20 0 CBADLP CC(C)[N@@H+]1CCO[C@H](C(=O)NCC(F)(F)C[NH3+])C1 ZINC000423543097 354179746 /nfs/dbraw/zinc/17/97/46/354179746.db2.gz MVDSRNFGFMEVIL-VIFPVBQESA-N 2 2 265.304 -0.194 20 0 CBADLP CC(C)[N@H+]1CCO[C@H](C(=O)NCC(F)(F)C[NH3+])C1 ZINC000423543097 354179750 /nfs/dbraw/zinc/17/97/50/354179750.db2.gz MVDSRNFGFMEVIL-VIFPVBQESA-N 2 2 265.304 -0.194 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2CCCC[C@H]2C[NH3+])CC1 ZINC000423607407 354183885 /nfs/dbraw/zinc/18/38/85/354183885.db2.gz MKAQAAKHPAXJHN-LBPRGKRZSA-N 2 2 282.388 -0.510 20 0 CBADLP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)C[C@H](C)[NH2+]1 ZINC000423670350 354190099 /nfs/dbraw/zinc/19/00/99/354190099.db2.gz AVQCTDSQDVKBMI-MPZDIEGVSA-N 2 2 296.415 -0.254 20 0 CBADLP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)C[C@H](C)[NH2+]1 ZINC000423670350 354190103 /nfs/dbraw/zinc/19/01/03/354190103.db2.gz AVQCTDSQDVKBMI-MPZDIEGVSA-N 2 2 296.415 -0.254 20 0 CBADLP O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000423682136 354190784 /nfs/dbraw/zinc/19/07/84/354190784.db2.gz VRYRDXTWSQNXHZ-MJBXVCDLSA-N 2 2 297.399 -0.816 20 0 CBADLP O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000423682136 354190788 /nfs/dbraw/zinc/19/07/88/354190788.db2.gz VRYRDXTWSQNXHZ-MJBXVCDLSA-N 2 2 297.399 -0.816 20 0 CBADLP O=C(NC[C@@H]1C[NH2+]C[C@H]1O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000423682135 354191057 /nfs/dbraw/zinc/19/10/57/354191057.db2.gz VRYRDXTWSQNXHZ-MELADBBJSA-N 2 2 297.399 -0.816 20 0 CBADLP O=C(NC[C@@H]1C[NH2+]C[C@H]1O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000423682135 354191059 /nfs/dbraw/zinc/19/10/59/354191059.db2.gz VRYRDXTWSQNXHZ-MELADBBJSA-N 2 2 297.399 -0.816 20 0 CBADLP O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000423682133 354191312 /nfs/dbraw/zinc/19/13/12/354191312.db2.gz VRYRDXTWSQNXHZ-IHRRRGAJSA-N 2 2 297.399 -0.816 20 0 CBADLP O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000423682133 354191314 /nfs/dbraw/zinc/19/13/14/354191314.db2.gz VRYRDXTWSQNXHZ-IHRRRGAJSA-N 2 2 297.399 -0.816 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])CC1 ZINC000423691003 354192109 /nfs/dbraw/zinc/19/21/09/354192109.db2.gz ZMQBLQHDSBZDCC-OLZOCXBDSA-N 2 2 296.415 -0.121 20 0 CBADLP COCC[C@@]1(C(=O)N(C)CC[NH+]2CCOCC2)CC[NH2+]C1 ZINC000423750112 354197358 /nfs/dbraw/zinc/19/73/58/354197358.db2.gz SMHSIGDWGORNHD-HNNXBMFYSA-N 2 2 299.415 -0.207 20 0 CBADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)[C@H]2C[NH2+]CCO2)C[C@H](C)O1 ZINC000423768512 354199698 /nfs/dbraw/zinc/19/96/98/354199698.db2.gz YKRJFRBTQADRBX-FRRDWIJNSA-N 2 2 285.388 -0.458 20 0 CBADLP C[C@@H]1C[N@H+](CCN(C)C(=O)[C@H]2C[NH2+]CCO2)C[C@H](C)O1 ZINC000423768512 354199701 /nfs/dbraw/zinc/19/97/01/354199701.db2.gz YKRJFRBTQADRBX-FRRDWIJNSA-N 2 2 285.388 -0.458 20 0 CBADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@]23C[C@H]2CC[NH2+]3)CC1 ZINC000423793563 354200350 /nfs/dbraw/zinc/20/03/50/354200350.db2.gz XEDLKQHYBLCFGM-ZOWXZIJZSA-N 2 2 295.383 -0.166 20 0 CBADLP CO[C@@H](C[NH3+])C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424197134 354217723 /nfs/dbraw/zinc/21/77/23/354217723.db2.gz WHADAUVOQSSFDB-SFYZADRCSA-N 2 2 251.277 -0.679 20 0 CBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C2([NH3+])CCC2)C[C@H]1C ZINC000423898238 354203989 /nfs/dbraw/zinc/20/39/89/354203989.db2.gz PIFFKQIJTDCZSM-LLVKDONJSA-N 2 2 283.372 -0.036 20 0 CBADLP COC(=O)CC[N@H+]1CCN(C(=O)C2([NH3+])CCC2)C[C@H]1C ZINC000423898238 354203992 /nfs/dbraw/zinc/20/39/92/354203992.db2.gz PIFFKQIJTDCZSM-LLVKDONJSA-N 2 2 283.372 -0.036 20 0 CBADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H](C)[NH3+])C[C@@H]1C ZINC000423896464 354204543 /nfs/dbraw/zinc/20/45/43/354204543.db2.gz OAWAHPVPAPRGBE-VHSXEESVSA-N 2 2 257.334 -0.571 20 0 CBADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H](C)[NH3+])C[C@@H]1C ZINC000423896464 354204544 /nfs/dbraw/zinc/20/45/44/354204544.db2.gz OAWAHPVPAPRGBE-VHSXEESVSA-N 2 2 257.334 -0.571 20 0 CBADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H]2COCC[NH2+]2)C[C@H]1C ZINC000423899096 354204564 /nfs/dbraw/zinc/20/45/64/354204564.db2.gz QDPBAQUADHYVAV-NEPJUHHUSA-N 2 2 299.371 -0.929 20 0 CBADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H]2COCC[NH2+]2)C[C@H]1C ZINC000423899096 354204566 /nfs/dbraw/zinc/20/45/66/354204566.db2.gz QDPBAQUADHYVAV-NEPJUHHUSA-N 2 2 299.371 -0.929 20 0 CBADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H]2CC[NH2+]2)C[C@@H]1C ZINC000423905795 354204888 /nfs/dbraw/zinc/20/48/88/354204888.db2.gz ZIJMXJZCTBBERI-WDEREUQCSA-N 2 2 269.345 -0.556 20 0 CBADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@H]2CC[NH2+]2)C[C@@H]1C ZINC000423905795 354204890 /nfs/dbraw/zinc/20/48/90/354204890.db2.gz ZIJMXJZCTBBERI-WDEREUQCSA-N 2 2 269.345 -0.556 20 0 CBADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H]2C[NH2+]CCO2)C[C@H]1C ZINC000423906087 354204906 /nfs/dbraw/zinc/20/49/06/354204906.db2.gz ZWKUAWOWUISBAY-VXGBXAGGSA-N 2 2 299.371 -0.929 20 0 CBADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@H]2C[NH2+]CCO2)C[C@H]1C ZINC000423906087 354204911 /nfs/dbraw/zinc/20/49/11/354204911.db2.gz ZWKUAWOWUISBAY-VXGBXAGGSA-N 2 2 299.371 -0.929 20 0 CBADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H]2CCC[NH2+]2)C[C@H]1C ZINC000423903418 354205421 /nfs/dbraw/zinc/20/54/21/354205421.db2.gz WPEBJHSOBTVIEL-VXGBXAGGSA-N 2 2 283.372 -0.166 20 0 CBADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@H]2CCC[NH2+]2)C[C@H]1C ZINC000423903418 354205422 /nfs/dbraw/zinc/20/54/22/354205422.db2.gz WPEBJHSOBTVIEL-VXGBXAGGSA-N 2 2 283.372 -0.166 20 0 CBADLP [NH3+][C@@H]1C[C@@H]1C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000424155606 354212227 /nfs/dbraw/zinc/21/22/27/354212227.db2.gz MZXKAZJYAWXMTE-DMDPSCGWSA-N 2 2 285.413 -0.342 20 0 CBADLP CC[C@H]1CN(C(=O)[C@H]2C[NH2+]CCO2)C[C@@H]1[NH+]1CCOCC1 ZINC000424164445 354212810 /nfs/dbraw/zinc/21/28/10/354212810.db2.gz CICRAIAEAWRNMY-MELADBBJSA-N 2 2 297.399 -0.456 20 0 CBADLP CC[C@H]1CN(C(=O)[C@H]2C[NH2+]CCO2)C[C@H]1[NH+]1CCOCC1 ZINC000424164441 354212989 /nfs/dbraw/zinc/21/29/89/354212989.db2.gz CICRAIAEAWRNMY-BFHYXJOUSA-N 2 2 297.399 -0.456 20 0 CBADLP CN(CCCn1cc[nH+]c1)C(=O)[C@H]1COCC[NH2+]1 ZINC000424170301 354213703 /nfs/dbraw/zinc/21/37/03/354213703.db2.gz KVWAPNWAGVXMPG-LLVKDONJSA-N 2 2 252.318 -0.280 20 0 CBADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)[C@@H]1COCC[NH2+]1 ZINC000424177469 354215066 /nfs/dbraw/zinc/21/50/66/354215066.db2.gz UOCUMBOZJNVMEV-NEPJUHHUSA-N 2 2 276.340 -0.235 20 0 CBADLP O=C(C[C@@H]1C[NH2+]CCO1)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424181518 354215126 /nfs/dbraw/zinc/21/51/26/354215126.db2.gz XWSVKTVEJWJQRX-NXEZZACHSA-N 2 2 277.315 -0.274 20 0 CBADLP COCC[NH2+]CCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000423528826 354178299 /nfs/dbraw/zinc/17/82/99/354178299.db2.gz WVRPWEWZXLBEDH-CQSZACIVSA-N 2 2 299.415 -0.018 20 0 CBADLP COCC[NH2+]CCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000423528826 354178303 /nfs/dbraw/zinc/17/83/03/354178303.db2.gz WVRPWEWZXLBEDH-CQSZACIVSA-N 2 2 299.415 -0.018 20 0 CBADLP COCC[NH2+]CCNC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000423515220 354178363 /nfs/dbraw/zinc/17/83/63/354178363.db2.gz MVNNZXJBCASXJG-CQSZACIVSA-N 2 2 299.415 -0.161 20 0 CBADLP COCC[NH2+]CCNC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000423515220 354178367 /nfs/dbraw/zinc/17/83/67/354178367.db2.gz MVNNZXJBCASXJG-CQSZACIVSA-N 2 2 299.415 -0.161 20 0 CBADLP CC(=O)N1CCN(C(=O)C[NH2+][C@](C)(C[NH3+])C(C)C)CC1 ZINC000430548706 354249662 /nfs/dbraw/zinc/24/96/62/354249662.db2.gz HEFZNETUWCZJGW-CQSZACIVSA-N 2 2 284.404 -0.360 20 0 CBADLP O=C(COC1C[NH2+]C1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000431036398 354251326 /nfs/dbraw/zinc/25/13/26/354251326.db2.gz WBAZSDQNKKILTK-LBPRGKRZSA-N 2 2 283.372 -0.702 20 0 CBADLP C[NH2+]C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N2CCC[C@@H](C(N)=O)C2)C1 ZINC000430917405 354251874 /nfs/dbraw/zinc/25/18/74/354251874.db2.gz DABBVEHOZALTCO-RWMBFGLXSA-N 2 2 296.415 -0.360 20 0 CBADLP C[NH2+]C[C@@H]1CC[N@H+]([C@@H](C)C(=O)N2CCC[C@@H](C(N)=O)C2)C1 ZINC000430917405 354251875 /nfs/dbraw/zinc/25/18/75/354251875.db2.gz DABBVEHOZALTCO-RWMBFGLXSA-N 2 2 296.415 -0.360 20 0 CBADLP O=C(C[C@H]1C[NH2+]CCO1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000431033281 354251916 /nfs/dbraw/zinc/25/19/16/354251916.db2.gz HRTJPXDLWJUAHG-KBPBESRZSA-N 2 2 297.399 -0.312 20 0 CBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CC[NH2+]2)CC1 ZINC000444167524 354261967 /nfs/dbraw/zinc/26/19/67/354261967.db2.gz MCAGFMSGDANMOF-CYBMUJFWSA-N 2 2 296.415 -0.249 20 0 CBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@H]2CC[NH2+]2)CC1 ZINC000444167524 354261970 /nfs/dbraw/zinc/26/19/70/354261970.db2.gz MCAGFMSGDANMOF-CYBMUJFWSA-N 2 2 296.415 -0.249 20 0 CBADLP O=C(C[N@@H+]1CCCN(C(=O)[C@H]2CC[NH2+]2)CC1)N1CCCC1 ZINC000444165387 354262049 /nfs/dbraw/zinc/26/20/49/354262049.db2.gz HGIUABZDOHCYJT-CYBMUJFWSA-N 2 2 294.399 -0.495 20 0 CBADLP O=C(C[N@H+]1CCCN(C(=O)[C@H]2CC[NH2+]2)CC1)N1CCCC1 ZINC000444165387 354262052 /nfs/dbraw/zinc/26/20/52/354262052.db2.gz HGIUABZDOHCYJT-CYBMUJFWSA-N 2 2 294.399 -0.495 20 0 CBADLP Cc1nc(N2CCN(C(=O)C3C[NH2+]C3)CC2)cc[nH+]1 ZINC000424275009 354221295 /nfs/dbraw/zinc/22/12/95/354221295.db2.gz AVCVDHOXQRLWEC-UHFFFAOYSA-N 2 2 261.329 -0.347 20 0 CBADLP CO[C@H](C[NH3+])CC(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000447442574 354298848 /nfs/dbraw/zinc/29/88/48/354298848.db2.gz SNQLDGOBMNLHFB-MNOVXSKESA-N 2 2 254.334 -0.001 20 0 CBADLP CO[C@@H](C[NH3+])CC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000262936846 137726164 /nfs/dbraw/zinc/72/61/64/137726164.db2.gz TZWPRQJSQZBPBS-CHWSQXEVSA-N 2 2 285.388 -0.327 20 0 CBADLP O=C(NCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1CC[NH2+]1 ZINC000444266066 354267605 /nfs/dbraw/zinc/26/76/05/354267605.db2.gz IEECTKOSZUJDPY-GFCCVEGCSA-N 2 2 290.371 -0.923 20 0 CBADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@@H]2C[C@@]23CC[NH2+]C3)CC1 ZINC000444273508 354267837 /nfs/dbraw/zinc/26/78/37/354267837.db2.gz PZOWSGVVWYAWQE-XHDPSFHLSA-N 2 2 294.399 -0.606 20 0 CBADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@@H]2C[C@]23CC[NH2+]C3)CC1 ZINC000444273507 354267864 /nfs/dbraw/zinc/26/78/64/354267864.db2.gz PZOWSGVVWYAWQE-NHYWBVRUSA-N 2 2 294.399 -0.606 20 0 CBADLP CCOCC[C@H](O)C[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000444588874 354274834 /nfs/dbraw/zinc/27/48/34/354274834.db2.gz GXGAUYVXWIBMEY-ZDUSSCGKSA-N 2 2 287.404 -0.520 20 0 CBADLP C[C@@H]([NH2+]C1CC1)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000449116187 354318480 /nfs/dbraw/zinc/31/84/80/354318480.db2.gz KIWMQVNRTUXMMN-WDEREUQCSA-N 2 2 255.362 -0.036 20 0 CBADLP C[C@@H]([NH2+]C1CC1)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000449116187 354318483 /nfs/dbraw/zinc/31/84/83/354318483.db2.gz KIWMQVNRTUXMMN-WDEREUQCSA-N 2 2 255.362 -0.036 20 0 CBADLP O=C(C[NH+]1CCCC1)N1CC[NH+](C[C@@H]2COCCO2)CC1 ZINC000450349183 354324852 /nfs/dbraw/zinc/32/48/52/354324852.db2.gz NMIIVBSHCBBBSD-CQSZACIVSA-N 2 2 297.399 -0.358 20 0 CBADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)CC(C)(C)CO ZINC000451239742 354335483 /nfs/dbraw/zinc/33/54/83/354335483.db2.gz BXKITPVMMGRGAT-UHFFFAOYSA-N 2 2 257.378 -0.289 20 0 CBADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)CC(C)(C)CO ZINC000451239742 354335485 /nfs/dbraw/zinc/33/54/85/354335485.db2.gz BXKITPVMMGRGAT-UHFFFAOYSA-N 2 2 257.378 -0.289 20 0 CBADLP CC[N@H+](CCC(=O)N1CC[NH+](C)CC1)C1COC1 ZINC000451288270 354335631 /nfs/dbraw/zinc/33/56/31/354335631.db2.gz SPOAMQZUBONQCS-UHFFFAOYSA-N 2 2 255.362 -0.129 20 0 CBADLP CC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)C1COC1 ZINC000451288270 354335635 /nfs/dbraw/zinc/33/56/35/354335635.db2.gz SPOAMQZUBONQCS-UHFFFAOYSA-N 2 2 255.362 -0.129 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@](O)(C(F)F)C2)CC1 ZINC000451431280 354336515 /nfs/dbraw/zinc/33/65/15/354336515.db2.gz FCBGPBWXVXSUSF-GFCCVEGCSA-N 2 2 277.315 -0.538 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@](O)(C(F)F)C2)CC1 ZINC000451431280 354336517 /nfs/dbraw/zinc/33/65/17/354336517.db2.gz FCBGPBWXVXSUSF-GFCCVEGCSA-N 2 2 277.315 -0.538 20 0 CBADLP C[C@@H](CNC(=O)NCC[NH+]1CCOCC1)[NH+](C)C ZINC000454239722 354354765 /nfs/dbraw/zinc/35/47/65/354354765.db2.gz KBFBRBNLXGMIND-NSHDSACASA-N 2 2 258.366 -0.432 20 0 CBADLP C[C@@H](CNC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1)[NH+](C)C ZINC000459034367 354381764 /nfs/dbraw/zinc/38/17/64/354381764.db2.gz CQSYMGPONMRWMB-NSHDSACASA-N 2 2 299.419 -0.472 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@](O)(CO)C2)CC1 ZINC000459646561 354385018 /nfs/dbraw/zinc/38/50/18/354385018.db2.gz IWRBDXWPNOEDAX-ZFWWWQNUSA-N 2 2 299.415 -0.642 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@](O)(CO)C2)CC1 ZINC000459646561 354385021 /nfs/dbraw/zinc/38/50/21/354385021.db2.gz IWRBDXWPNOEDAX-ZFWWWQNUSA-N 2 2 299.415 -0.642 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC2)CC1 ZINC000459806812 354388152 /nfs/dbraw/zinc/38/81/52/354388152.db2.gz FSDFAXRYYZHXIE-UHFFFAOYSA-N 2 2 296.415 -0.297 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC2)CC1 ZINC000459806812 354388153 /nfs/dbraw/zinc/38/81/53/354388153.db2.gz FSDFAXRYYZHXIE-UHFFFAOYSA-N 2 2 296.415 -0.297 20 0 CBADLP CC[N@H+](CC(=O)N1CC[NH+](CCO)C[C@H]1C)C1CC1 ZINC000457091271 354368672 /nfs/dbraw/zinc/36/86/72/354368672.db2.gz FNZPMVPDSMFCTC-GFCCVEGCSA-N 2 2 269.389 -0.004 20 0 CBADLP CC[N@@H+](CC(=O)N1CC[NH+](CCO)C[C@H]1C)C1CC1 ZINC000457091271 354368674 /nfs/dbraw/zinc/36/86/74/354368674.db2.gz FNZPMVPDSMFCTC-GFCCVEGCSA-N 2 2 269.389 -0.004 20 0 CBADLP CC[NH+](CC(=O)N1CC[N@H+](CCO)C[C@H]1C)C1CC1 ZINC000457091271 354368675 /nfs/dbraw/zinc/36/86/75/354368675.db2.gz FNZPMVPDSMFCTC-GFCCVEGCSA-N 2 2 269.389 -0.004 20 0 CBADLP CC[NH+](CC(=O)N1CC[N@@H+](CCO)C[C@H]1C)C1CC1 ZINC000457091271 354368677 /nfs/dbraw/zinc/36/86/77/354368677.db2.gz FNZPMVPDSMFCTC-GFCCVEGCSA-N 2 2 269.389 -0.004 20 0 CBADLP C[NH+](C)CCOCCNC(=O)NCC[NH+]1CCOCC1 ZINC000471649577 354402517 /nfs/dbraw/zinc/40/25/17/354402517.db2.gz ZANHSUYTQZMCGI-UHFFFAOYSA-N 2 2 288.392 -0.804 20 0 CBADLP C[NH+]1CCN(C(=O)CCNC(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000492956420 354485904 /nfs/dbraw/zinc/48/59/04/354485904.db2.gz QPMTZBXQBUXAPF-IHWYPQMZSA-N 2 2 291.355 -0.297 20 0 CBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493255457 354492414 /nfs/dbraw/zinc/49/24/14/354492414.db2.gz DRQBRMFGRLZXRL-QAVQXKDTSA-N 2 2 294.355 -0.426 20 0 CBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493255455 354492790 /nfs/dbraw/zinc/49/27/90/354492790.db2.gz DRQBRMFGRLZXRL-JDGPPOGSSA-N 2 2 294.355 -0.426 20 0 CBADLP Nc1nc(N)nc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)n1 ZINC000495020937 354497128 /nfs/dbraw/zinc/49/71/28/354497128.db2.gz VOXRKHBEGJXSHM-MRVPVSSYSA-N 2 2 274.332 -0.201 20 0 CBADLP Nc1nc(N)nc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)n1 ZINC000495020937 354497129 /nfs/dbraw/zinc/49/71/29/354497129.db2.gz VOXRKHBEGJXSHM-MRVPVSSYSA-N 2 2 274.332 -0.201 20 0 CBADLP C[C@@H](C(=O)N(C1CC1)[C@H]1CC[NH2+]C1)[NH+]1CCN(C)CC1 ZINC000514864105 354555694 /nfs/dbraw/zinc/55/56/94/354555694.db2.gz QTROHFBGGDLHLM-JSGCOSHPSA-N 2 2 280.416 -0.025 20 0 CBADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000515523113 354556000 /nfs/dbraw/zinc/55/60/00/354556000.db2.gz OFXMTXKBSIXWGH-IJLUTSLNSA-N 3 2 269.393 -0.731 20 0 CBADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000515523113 354556001 /nfs/dbraw/zinc/55/60/01/354556001.db2.gz OFXMTXKBSIXWGH-IJLUTSLNSA-N 3 2 269.393 -0.731 20 0 CBADLP O=C(NCCn1cc[nH+]c1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000534268587 354596290 /nfs/dbraw/zinc/59/62/90/354596290.db2.gz BNGFGODXTDLOOA-GFCCVEGCSA-N 2 2 263.345 -0.611 20 0 CBADLP O=C(NCCn1cc[nH+]c1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000534268587 354596292 /nfs/dbraw/zinc/59/62/92/354596292.db2.gz BNGFGODXTDLOOA-GFCCVEGCSA-N 2 2 263.345 -0.611 20 0 CBADLP C[C@@H]1C[N@H+](CCNc2cc[nH+]cc2C(N)=O)CCO1 ZINC000545160689 354643646 /nfs/dbraw/zinc/64/36/46/354643646.db2.gz YKIUQRARMHHYOJ-SNVBAGLBSA-N 2 2 264.329 -0.265 20 0 CBADLP C[C@@H]1C[N@@H+](CCNc2cc[nH+]cc2C(N)=O)CCO1 ZINC000545160689 354643647 /nfs/dbraw/zinc/64/36/47/354643647.db2.gz YKIUQRARMHHYOJ-SNVBAGLBSA-N 2 2 264.329 -0.265 20 0 CBADLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2cnc3cnccn23)C1 ZINC000545860778 354648172 /nfs/dbraw/zinc/64/81/72/354648172.db2.gz YJGKIAUNHRFNKQ-ZDUSSCGKSA-N 2 2 261.329 -0.115 20 0 CBADLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2cnc3cnccn23)C1 ZINC000545860778 354648174 /nfs/dbraw/zinc/64/81/74/354648174.db2.gz YJGKIAUNHRFNKQ-ZDUSSCGKSA-N 2 2 261.329 -0.115 20 0 CBADLP C[N@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)C1CC(O)C1 ZINC000546808391 354655137 /nfs/dbraw/zinc/65/51/37/354655137.db2.gz AXAALIAFMGMTPT-UHFFFAOYSA-N 2 2 299.415 -0.332 20 0 CBADLP C[N@@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)C1CC(O)C1 ZINC000546808391 354655138 /nfs/dbraw/zinc/65/51/38/354655138.db2.gz AXAALIAFMGMTPT-UHFFFAOYSA-N 2 2 299.415 -0.332 20 0 CBADLP CNS(=O)(=O)[C@H]1CC[N@H+](CCn2cc[nH+]c2)C1 ZINC000536561709 354607401 /nfs/dbraw/zinc/60/74/01/354607401.db2.gz HPOWCIPYQNDLEF-JTQLQIEISA-N 2 2 258.347 -0.493 20 0 CBADLP CNS(=O)(=O)[C@H]1CC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000536561709 354607404 /nfs/dbraw/zinc/60/74/04/354607404.db2.gz HPOWCIPYQNDLEF-JTQLQIEISA-N 2 2 258.347 -0.493 20 0 CBADLP C[C@H]1c2nncn2CC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000328695572 202020052 /nfs/dbraw/zinc/02/00/52/202020052.db2.gz TVRKVJIVCOVYOY-LBPRGKRZSA-N 2 2 292.387 -0.181 20 0 CBADLP C[C@H]1c2nncn2CC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000328695572 202020055 /nfs/dbraw/zinc/02/00/55/202020055.db2.gz TVRKVJIVCOVYOY-LBPRGKRZSA-N 2 2 292.387 -0.181 20 0 CBADLP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000563145560 354698745 /nfs/dbraw/zinc/69/87/45/354698745.db2.gz YOHCUKQGMMAXQC-MNOVXSKESA-N 2 2 282.388 -0.465 20 0 CBADLP COCC[NH2+]CC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000563198324 354701684 /nfs/dbraw/zinc/70/16/84/354701684.db2.gz QIEUZQZMASFEAA-NSHDSACASA-N 2 2 259.350 -0.941 20 0 CBADLP COCC[NH2+]CC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000563198324 354701687 /nfs/dbraw/zinc/70/16/87/354701687.db2.gz QIEUZQZMASFEAA-NSHDSACASA-N 2 2 259.350 -0.941 20 0 CBADLP C[C@@H](NC(=O)[C@H]1C[C@@H]([NH3+])C1)[C@H](C)[NH+]1CCOCC1 ZINC000563203301 354702870 /nfs/dbraw/zinc/70/28/70/354702870.db2.gz TUILYMIJDZVVAY-KXNHARMFSA-N 2 2 255.362 -0.051 20 0 CBADLP Cc1nn(C)c(C)c1CC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000563708865 354705197 /nfs/dbraw/zinc/70/51/97/354705197.db2.gz WYCQLHHLNFNNIT-GFCCVEGCSA-N 2 2 279.388 -0.319 20 0 CBADLP Cc1nn(C)c(C)c1CC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000563708865 354705199 /nfs/dbraw/zinc/70/51/99/354705199.db2.gz WYCQLHHLNFNNIT-GFCCVEGCSA-N 2 2 279.388 -0.319 20 0 CBADLP C[C@@H](C(=O)N(C)[C@H]1CC[NH2+]C1)[NH+]1CCN(C)CC1 ZINC000564656965 354714433 /nfs/dbraw/zinc/71/44/33/354714433.db2.gz OYIVHMKFMYTSNF-RYUDHWBXSA-N 2 2 254.378 -0.557 20 0 CBADLP COc1ccncc1C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000564859243 354718281 /nfs/dbraw/zinc/71/82/81/354718281.db2.gz PGPGKDBQWFMTPH-AWEZNQCLSA-N 2 2 294.399 -0.212 20 0 CBADLP COCCCn1nccc1CN1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000564973649 354723143 /nfs/dbraw/zinc/72/31/43/354723143.db2.gz VGZYPEDBTULHDZ-AWEZNQCLSA-N 2 2 281.404 -0.006 20 0 CBADLP COCCCn1nccc1CN1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000564973649 354723148 /nfs/dbraw/zinc/72/31/48/354723148.db2.gz VGZYPEDBTULHDZ-AWEZNQCLSA-N 2 2 281.404 -0.006 20 0 CBADLP COC(=O)CCNC(=O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000564986468 354723854 /nfs/dbraw/zinc/72/38/54/354723854.db2.gz PLNHBBOXKQIJSJ-MNOVXSKESA-N 2 2 269.345 -0.651 20 0 CBADLP COC(=O)CCNC(=O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000564986468 354723859 /nfs/dbraw/zinc/72/38/59/354723859.db2.gz PLNHBBOXKQIJSJ-MNOVXSKESA-N 2 2 269.345 -0.651 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@]23C[C@H]2CC[NH2+]3)CC1 ZINC000565032751 354726417 /nfs/dbraw/zinc/72/64/17/354726417.db2.gz IYMDBKUTZJVVOS-OCCSQVGLSA-N 2 2 280.372 -0.981 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000565154561 354728820 /nfs/dbraw/zinc/72/88/20/354728820.db2.gz BICTZCMCNBUDHN-NEPJUHHUSA-N 2 2 258.362 -0.618 20 0 CBADLP CCC[C@H](C(=O)OCC)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000565844354 354747997 /nfs/dbraw/zinc/74/79/97/354747997.db2.gz ZSMHMKIAAHKLOS-GRYCIOLGSA-N 2 2 283.372 -0.038 20 0 CBADLP CCC[C@H](C(=O)OCC)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000565844354 354747999 /nfs/dbraw/zinc/74/79/99/354747999.db2.gz ZSMHMKIAAHKLOS-GRYCIOLGSA-N 2 2 283.372 -0.038 20 0 CBADLP NC(=O)[C@H](c1ccccc1)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000565904814 354748765 /nfs/dbraw/zinc/74/87/65/354748765.db2.gz SPYZEZORNZGVOR-AGIUHOORSA-N 2 2 288.351 -0.543 20 0 CBADLP NC(=O)[C@H](c1ccccc1)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000565904814 354748767 /nfs/dbraw/zinc/74/87/67/354748767.db2.gz SPYZEZORNZGVOR-AGIUHOORSA-N 2 2 288.351 -0.543 20 0 CBADLP Cn1cc(CCC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cn1 ZINC000566008416 354750839 /nfs/dbraw/zinc/75/08/39/354750839.db2.gz DXUBZEVXCGJYHC-LBPRGKRZSA-N 2 2 265.361 -0.546 20 0 CBADLP Cn1cc(CCC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cn1 ZINC000566008416 354750840 /nfs/dbraw/zinc/75/08/40/354750840.db2.gz DXUBZEVXCGJYHC-LBPRGKRZSA-N 2 2 265.361 -0.546 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000566151141 354753790 /nfs/dbraw/zinc/75/37/90/354753790.db2.gz UZHKQRKYOUFJFR-CYBMUJFWSA-N 2 2 294.399 -0.591 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)C[C@@H]2CCC[NH2+]2)CCO1 ZINC000566286439 354762006 /nfs/dbraw/zinc/76/20/06/354762006.db2.gz NMWAOMDRXYHQFT-NEPJUHHUSA-N 2 2 255.362 -0.035 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)C[C@@H]2CCC[NH2+]2)CCO1 ZINC000566286439 354762008 /nfs/dbraw/zinc/76/20/08/354762008.db2.gz NMWAOMDRXYHQFT-NEPJUHHUSA-N 2 2 255.362 -0.035 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCCO[C@H](CF)C1 ZINC000566429755 354766753 /nfs/dbraw/zinc/76/67/53/354766753.db2.gz YBTOTGDUTNOEIA-QWHCGFSZSA-N 2 2 278.368 -0.014 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCCO[C@H](CF)C1 ZINC000566429755 354766755 /nfs/dbraw/zinc/76/67/55/354766755.db2.gz YBTOTGDUTNOEIA-QWHCGFSZSA-N 2 2 278.368 -0.014 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCCO[C@H](CF)C1 ZINC000566429755 354766756 /nfs/dbraw/zinc/76/67/56/354766756.db2.gz YBTOTGDUTNOEIA-QWHCGFSZSA-N 2 2 278.368 -0.014 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCCO[C@H](CF)C1 ZINC000566429755 354766757 /nfs/dbraw/zinc/76/67/57/354766757.db2.gz YBTOTGDUTNOEIA-QWHCGFSZSA-N 2 2 278.368 -0.014 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000566560082 354771045 /nfs/dbraw/zinc/77/10/45/354771045.db2.gz CIBZUXQGLCSNGE-VXGBXAGGSA-N 2 2 284.404 -0.362 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000566560082 354771048 /nfs/dbraw/zinc/77/10/48/354771048.db2.gz CIBZUXQGLCSNGE-VXGBXAGGSA-N 2 2 284.404 -0.362 20 0 CBADLP C[C@@H](C(=O)NCC[NH+]1CCC(O)CC1)[NH+]1CC(C)C1 ZINC000566630127 354772380 /nfs/dbraw/zinc/77/23/80/354772380.db2.gz HIQAZRQNPKEXEU-LBPRGKRZSA-N 2 2 269.389 -0.101 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]2C[C@]23CC[NH2+]C3)CCO1 ZINC000565481762 354739614 /nfs/dbraw/zinc/73/96/14/354739614.db2.gz BZLSPTMVWYOCMD-BZPMIXESSA-N 2 2 267.373 -0.177 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2C[C@]23CC[NH2+]C3)CCO1 ZINC000565481762 354739615 /nfs/dbraw/zinc/73/96/15/354739615.db2.gz BZLSPTMVWYOCMD-BZPMIXESSA-N 2 2 267.373 -0.177 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H](CO)[C@H](O)C2)CC1 ZINC000565619512 354741999 /nfs/dbraw/zinc/74/19/99/354741999.db2.gz HQOQIAXOUAQROA-BFHYXJOUSA-N 2 2 299.415 -0.786 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H](CO)[C@H](O)C2)CC1 ZINC000565619512 354742002 /nfs/dbraw/zinc/74/20/02/354742002.db2.gz HQOQIAXOUAQROA-BFHYXJOUSA-N 2 2 299.415 -0.786 20 0 CBADLP C[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](CCO)[C@H](C)C2)C1 ZINC000565606519 354742255 /nfs/dbraw/zinc/74/22/55/354742255.db2.gz BROSEVKAHUGVSK-CHWSQXEVSA-N 2 2 269.389 -0.147 20 0 CBADLP C[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](CCO)[C@H](C)C2)C1 ZINC000565606519 354742260 /nfs/dbraw/zinc/74/22/60/354742260.db2.gz BROSEVKAHUGVSK-CHWSQXEVSA-N 2 2 269.389 -0.147 20 0 CBADLP C[C@@H]1CC[NH+](CC(=O)N2CC[N@H+](CCO)[C@H](C)C2)C1 ZINC000565606519 354742262 /nfs/dbraw/zinc/74/22/62/354742262.db2.gz BROSEVKAHUGVSK-CHWSQXEVSA-N 2 2 269.389 -0.147 20 0 CBADLP C[C@@H]1CC[NH+](CC(=O)N2CC[N@@H+](CCO)[C@H](C)C2)C1 ZINC000565606519 354742266 /nfs/dbraw/zinc/74/22/66/354742266.db2.gz BROSEVKAHUGVSK-CHWSQXEVSA-N 2 2 269.389 -0.147 20 0 CBADLP C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)C1(S(C)(=O)=O)CC1 ZINC000568859885 354832994 /nfs/dbraw/zinc/83/29/94/354832994.db2.gz ZTDDODNUTBLHEN-CMPLNLGQSA-N 2 2 290.429 -0.003 20 0 CBADLP C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)C1(S(C)(=O)=O)CC1 ZINC000568859885 354832996 /nfs/dbraw/zinc/83/29/96/354832996.db2.gz ZTDDODNUTBLHEN-CMPLNLGQSA-N 2 2 290.429 -0.003 20 0 CBADLP CCOCCNC(=O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000568166983 354813529 /nfs/dbraw/zinc/81/35/29/354813529.db2.gz YOZLHWVIMRIZCR-UHFFFAOYSA-N 2 2 281.360 -0.316 20 0 CBADLP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000568182503 354814530 /nfs/dbraw/zinc/81/45/30/354814530.db2.gz RCWMLOMFIQVJRU-STQMWFEESA-N 2 2 278.356 -0.058 20 0 CBADLP Cn1c[nH+]cc1CCC[N@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000568182503 354814531 /nfs/dbraw/zinc/81/45/31/354814531.db2.gz RCWMLOMFIQVJRU-STQMWFEESA-N 2 2 278.356 -0.058 20 0 CBADLP Cn1c(C[N@@H+]2CC3CCC2(C[NH3+])CC3)cc(=O)n(C)c1=O ZINC000568245237 354817217 /nfs/dbraw/zinc/81/72/17/354817217.db2.gz GTIVWVSMYAZQGL-UHFFFAOYSA-N 2 2 292.383 -0.213 20 0 CBADLP Cn1c(C[N@H+]2CC3CCC2(C[NH3+])CC3)cc(=O)n(C)c1=O ZINC000568245237 354817219 /nfs/dbraw/zinc/81/72/19/354817219.db2.gz GTIVWVSMYAZQGL-UHFFFAOYSA-N 2 2 292.383 -0.213 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCN2CCOC[C@@H]2C1 ZINC000568408976 354823629 /nfs/dbraw/zinc/82/36/29/354823629.db2.gz NXNGKXGHPNCGLV-STQMWFEESA-N 2 2 257.378 -0.685 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCN2CCOC[C@@H]2C1 ZINC000568408976 354823633 /nfs/dbraw/zinc/82/36/33/354823633.db2.gz NXNGKXGHPNCGLV-STQMWFEESA-N 2 2 257.378 -0.685 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000568408976 354823636 /nfs/dbraw/zinc/82/36/36/354823636.db2.gz NXNGKXGHPNCGLV-STQMWFEESA-N 2 2 257.378 -0.685 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000568408976 354823640 /nfs/dbraw/zinc/82/36/40/354823640.db2.gz NXNGKXGHPNCGLV-STQMWFEESA-N 2 2 257.378 -0.685 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCN2CCOC[C@H]2C1 ZINC000568408973 354823688 /nfs/dbraw/zinc/82/36/88/354823688.db2.gz NXNGKXGHPNCGLV-CHWSQXEVSA-N 2 2 257.378 -0.685 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCN2CCOC[C@H]2C1 ZINC000568408973 354823692 /nfs/dbraw/zinc/82/36/92/354823692.db2.gz NXNGKXGHPNCGLV-CHWSQXEVSA-N 2 2 257.378 -0.685 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000568408973 354823695 /nfs/dbraw/zinc/82/36/95/354823695.db2.gz NXNGKXGHPNCGLV-CHWSQXEVSA-N 2 2 257.378 -0.685 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCN2CCOC[C@H]2C1 ZINC000568408973 354823697 /nfs/dbraw/zinc/82/36/97/354823697.db2.gz NXNGKXGHPNCGLV-CHWSQXEVSA-N 2 2 257.378 -0.685 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCN2CCOC[C@@H]2C1 ZINC000568408975 354823794 /nfs/dbraw/zinc/82/37/94/354823794.db2.gz NXNGKXGHPNCGLV-QWHCGFSZSA-N 2 2 257.378 -0.685 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCN2CCOC[C@@H]2C1 ZINC000568408975 354823796 /nfs/dbraw/zinc/82/37/96/354823796.db2.gz NXNGKXGHPNCGLV-QWHCGFSZSA-N 2 2 257.378 -0.685 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000568408975 354823798 /nfs/dbraw/zinc/82/37/98/354823798.db2.gz NXNGKXGHPNCGLV-QWHCGFSZSA-N 2 2 257.378 -0.685 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000568408975 354823799 /nfs/dbraw/zinc/82/37/99/354823799.db2.gz NXNGKXGHPNCGLV-QWHCGFSZSA-N 2 2 257.378 -0.685 20 0 CBADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N(C)CCC[NH3+] ZINC000568535088 354827777 /nfs/dbraw/zinc/82/77/77/354827777.db2.gz QBDYAAVMMZAVKM-LBPRGKRZSA-N 2 2 271.409 -0.388 20 0 CBADLP CC[N@H+](CCN1CC[NH2+]CC1)[C@@H](C)CS(C)(=O)=O ZINC000568632373 354828631 /nfs/dbraw/zinc/82/86/31/354828631.db2.gz OVRRHNAFYSDRGQ-LBPRGKRZSA-N 2 2 277.434 -0.353 20 0 CBADLP CC[N@@H+](CCN1CC[NH2+]CC1)[C@@H](C)CS(C)(=O)=O ZINC000568632373 354828635 /nfs/dbraw/zinc/82/86/35/354828635.db2.gz OVRRHNAFYSDRGQ-LBPRGKRZSA-N 2 2 277.434 -0.353 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000568660107 354829414 /nfs/dbraw/zinc/82/94/14/354829414.db2.gz SVJHQPSTZJMXLU-JHJVBQTASA-N 2 2 285.388 -0.864 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000568660107 354829417 /nfs/dbraw/zinc/82/94/17/354829417.db2.gz SVJHQPSTZJMXLU-JHJVBQTASA-N 2 2 285.388 -0.864 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000568660107 354829421 /nfs/dbraw/zinc/82/94/21/354829421.db2.gz SVJHQPSTZJMXLU-JHJVBQTASA-N 2 2 285.388 -0.864 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000568660107 354829422 /nfs/dbraw/zinc/82/94/22/354829422.db2.gz SVJHQPSTZJMXLU-JHJVBQTASA-N 2 2 285.388 -0.864 20 0 CBADLP CCCNC(=O)[C@H](C)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000568654857 354829530 /nfs/dbraw/zinc/82/95/30/354829530.db2.gz YGFHFMCOTQXOCY-HBNTYKKESA-N 2 2 268.361 -0.855 20 0 CBADLP CCCNC(=O)[C@H](C)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000568654857 354829532 /nfs/dbraw/zinc/82/95/32/354829532.db2.gz YGFHFMCOTQXOCY-HBNTYKKESA-N 2 2 268.361 -0.855 20 0 CBADLP CC(C)[N@@H+]1CC[C@H](CNC(=O)CN2CC[NH2+]CC2=O)C1 ZINC000568745169 354830854 /nfs/dbraw/zinc/83/08/54/354830854.db2.gz PZLTVDZXCRPPDQ-GFCCVEGCSA-N 2 2 282.388 -0.735 20 0 CBADLP CC(C)[N@H+]1CC[C@H](CNC(=O)CN2CC[NH2+]CC2=O)C1 ZINC000568745169 354830858 /nfs/dbraw/zinc/83/08/58/354830858.db2.gz PZLTVDZXCRPPDQ-GFCCVEGCSA-N 2 2 282.388 -0.735 20 0 CBADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC(=O)N2CCNC2=O)C1 ZINC000570822880 354870349 /nfs/dbraw/zinc/87/03/49/354870349.db2.gz HDLMFLZGFNEJEE-SNVBAGLBSA-N 2 2 277.328 -0.239 20 0 CBADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC(=O)N2CCNC2=O)C1 ZINC000570822880 354870354 /nfs/dbraw/zinc/87/03/54/354870354.db2.gz HDLMFLZGFNEJEE-SNVBAGLBSA-N 2 2 277.328 -0.239 20 0 CBADLP CN1CC[NH2+]C[C@H]1CNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000570931504 354873042 /nfs/dbraw/zinc/87/30/42/354873042.db2.gz SSJRTKYTGASQBB-ZDUSSCGKSA-N 2 2 287.367 -0.103 20 0 CBADLP C[C@H](C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)[NH+]1CC(C)C1 ZINC000570938999 354874139 /nfs/dbraw/zinc/87/41/39/354874139.db2.gz BJILYGDGIOIPCH-ZIAGYGMSSA-N 2 2 299.415 -0.522 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000569106774 354838413 /nfs/dbraw/zinc/83/84/13/354838413.db2.gz GLWIRDWIXUZBFJ-LOWVWBTDSA-N 2 2 253.346 -0.425 20 0 CBADLP C[C@@H]1C[C@H]([NH2+]CCC(=O)NC(N)=O)C[N@@H+]1C1CC1 ZINC000569332595 354843074 /nfs/dbraw/zinc/84/30/74/354843074.db2.gz YJRWIPGGGHSWMI-BDAKNGLRSA-N 2 2 254.334 -0.214 20 0 CBADLP C[C@@H]1C[C@H]([NH2+]CCC(=O)NC(N)=O)C[N@H+]1C1CC1 ZINC000569332595 354843076 /nfs/dbraw/zinc/84/30/76/354843076.db2.gz YJRWIPGGGHSWMI-BDAKNGLRSA-N 2 2 254.334 -0.214 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC2(CNC(=O)N2C)CC1 ZINC000569706600 354844236 /nfs/dbraw/zinc/84/42/36/354844236.db2.gz QOJLLCCXCZPMCS-GFCCVEGCSA-N 2 2 284.404 -0.211 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC2(CNC(=O)N2C)CC1 ZINC000569706600 354844239 /nfs/dbraw/zinc/84/42/39/354844239.db2.gz QOJLLCCXCZPMCS-GFCCVEGCSA-N 2 2 284.404 -0.211 20 0 CBADLP C[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)CC(=O)NC(C)C)C1 ZINC000570277791 354858505 /nfs/dbraw/zinc/85/85/05/354858505.db2.gz CQWYQSGPNJXLJO-LBPRGKRZSA-N 2 2 284.404 -0.489 20 0 CBADLP C[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)CC(=O)NC(C)C)C1 ZINC000570277791 354858506 /nfs/dbraw/zinc/85/85/06/354858506.db2.gz CQWYQSGPNJXLJO-LBPRGKRZSA-N 2 2 284.404 -0.489 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CCC[NH2+]C2)CCO1 ZINC000570335231 354859445 /nfs/dbraw/zinc/85/94/45/354859445.db2.gz VWXPWEBJSQIZPJ-VXGBXAGGSA-N 2 2 255.362 -0.177 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2CCC[NH2+]C2)CCO1 ZINC000570335231 354859446 /nfs/dbraw/zinc/85/94/46/354859446.db2.gz VWXPWEBJSQIZPJ-VXGBXAGGSA-N 2 2 255.362 -0.177 20 0 CBADLP C[N@@H+]1CCN(C(=O)CNC(=O)C2CCCCC2)[C@H](C[NH3+])C1 ZINC000570395129 354860389 /nfs/dbraw/zinc/86/03/89/354860389.db2.gz DTWOCJVWVBLEBC-CYBMUJFWSA-N 2 2 296.415 -0.216 20 0 CBADLP Cn1cc(N2CCC[C@@H]([N@H+](C)C[C@@H](O)C[NH3+])C2=O)cn1 ZINC000570520246 354863870 /nfs/dbraw/zinc/86/38/70/354863870.db2.gz UWMFXQSHUMEXKS-NWDGAFQWSA-N 2 2 281.360 -0.833 20 0 CBADLP Cn1cc(N2CCC[C@@H]([N@@H+](C)C[C@@H](O)C[NH3+])C2=O)cn1 ZINC000570520246 354863871 /nfs/dbraw/zinc/86/38/71/354863871.db2.gz UWMFXQSHUMEXKS-NWDGAFQWSA-N 2 2 281.360 -0.833 20 0 CBADLP Cn1cc(N2CCC[C@H]([N@H+](C)C[C@@H](O)C[NH3+])C2=O)cn1 ZINC000570520247 354863953 /nfs/dbraw/zinc/86/39/53/354863953.db2.gz UWMFXQSHUMEXKS-RYUDHWBXSA-N 2 2 281.360 -0.833 20 0 CBADLP Cn1cc(N2CCC[C@H]([N@@H+](C)C[C@@H](O)C[NH3+])C2=O)cn1 ZINC000570520247 354863955 /nfs/dbraw/zinc/86/39/55/354863955.db2.gz UWMFXQSHUMEXKS-RYUDHWBXSA-N 2 2 281.360 -0.833 20 0 CBADLP C[C@@H](NC(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2)C(=O)N(C)C ZINC000570570948 354864801 /nfs/dbraw/zinc/86/48/01/354864801.db2.gz VIEZMDSMYOFKDI-IUODEOHRSA-N 2 2 296.415 -0.345 20 0 CBADLP C[C@@H](NC(=O)C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)C(=O)N(C)C ZINC000570570948 354864802 /nfs/dbraw/zinc/86/48/02/354864802.db2.gz VIEZMDSMYOFKDI-IUODEOHRSA-N 2 2 296.415 -0.345 20 0 CBADLP C[C@H](NC(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2)C(=O)N(C)C ZINC000570570950 354865299 /nfs/dbraw/zinc/86/52/99/354865299.db2.gz VIEZMDSMYOFKDI-WFASDCNBSA-N 2 2 296.415 -0.345 20 0 CBADLP C[C@H](NC(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)C(=O)N(C)C ZINC000570570950 354865301 /nfs/dbraw/zinc/86/53/01/354865301.db2.gz VIEZMDSMYOFKDI-WFASDCNBSA-N 2 2 296.415 -0.345 20 0 CBADLP CCC(=O)N1CCC[C@H](C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])C1 ZINC000571919061 354883511 /nfs/dbraw/zinc/88/35/11/354883511.db2.gz WYKMIEMDEPFPMR-STQMWFEESA-N 2 2 296.415 -0.264 20 0 CBADLP CCC(=O)N1CCC[C@H](C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])C1 ZINC000571919061 354883515 /nfs/dbraw/zinc/88/35/15/354883515.db2.gz WYKMIEMDEPFPMR-STQMWFEESA-N 2 2 296.415 -0.264 20 0 CBADLP CCN1C[C@H]([NH2+]C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1=O ZINC000572114310 354886095 /nfs/dbraw/zinc/88/60/95/354886095.db2.gz NJIGWETXOUIDIY-RQJABVFESA-N 2 2 299.415 -0.333 20 0 CBADLP CCN1C[C@H]([NH2+]C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1=O ZINC000572114310 354886097 /nfs/dbraw/zinc/88/60/97/354886097.db2.gz NJIGWETXOUIDIY-RQJABVFESA-N 2 2 299.415 -0.333 20 0 CBADLP C[NH+]1CCN(C(=O)CCNC(=O)C[NH+]2CC(C)(C)C2)CC1 ZINC000572133092 354887287 /nfs/dbraw/zinc/88/72/87/354887287.db2.gz XUFYATLRFFPFEG-UHFFFAOYSA-N 2 2 296.415 -0.392 20 0 CBADLP C[N@H+](C[C@H](O)C[NH+]1CC[C@H](CO)[C@H](O)C1)C1CC1 ZINC000572207566 354888194 /nfs/dbraw/zinc/88/81/94/354888194.db2.gz BWIVCHCTOZYLJQ-KGYLQXTDSA-N 2 2 258.362 -0.883 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH+]1CC[C@H](CO)[C@H](O)C1)C1CC1 ZINC000572207566 354888196 /nfs/dbraw/zinc/88/81/96/354888196.db2.gz BWIVCHCTOZYLJQ-KGYLQXTDSA-N 2 2 258.362 -0.883 20 0 CBADLP C[NH+](C[C@H](O)C[N@@H+]1CC[C@H](CO)[C@H](O)C1)C1CC1 ZINC000572207566 354888198 /nfs/dbraw/zinc/88/81/98/354888198.db2.gz BWIVCHCTOZYLJQ-KGYLQXTDSA-N 2 2 258.362 -0.883 20 0 CBADLP C[NH+](C[C@H](O)C[N@H+]1CC[C@H](CO)[C@H](O)C1)C1CC1 ZINC000572207566 354888199 /nfs/dbraw/zinc/88/81/99/354888199.db2.gz BWIVCHCTOZYLJQ-KGYLQXTDSA-N 2 2 258.362 -0.883 20 0 CBADLP CCOC(=O)CCCNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000572226477 354889165 /nfs/dbraw/zinc/88/91/65/354889165.db2.gz FGZMUFHSMRBEEA-LLVKDONJSA-N 2 2 286.376 -0.386 20 0 CBADLP CCOC(=O)CCCNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000572226477 354889167 /nfs/dbraw/zinc/88/91/67/354889167.db2.gz FGZMUFHSMRBEEA-LLVKDONJSA-N 2 2 286.376 -0.386 20 0 CBADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000572347029 354891079 /nfs/dbraw/zinc/89/10/79/354891079.db2.gz PJZQAOBAAWISGX-WOPDTQHZSA-N 3 2 254.378 -0.524 20 0 CBADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000572347029 354891083 /nfs/dbraw/zinc/89/10/83/354891083.db2.gz PJZQAOBAAWISGX-WOPDTQHZSA-N 3 2 254.378 -0.524 20 0 CBADLP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)Cn2cc[nH+]c2)C1 ZINC000572691517 354895291 /nfs/dbraw/zinc/89/52/91/354895291.db2.gz YIBAQEKKIKICFO-LBPRGKRZSA-N 2 2 293.371 -0.413 20 0 CBADLP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)Cn2cc[nH+]c2)C1 ZINC000572691517 354895292 /nfs/dbraw/zinc/89/52/92/354895292.db2.gz YIBAQEKKIKICFO-LBPRGKRZSA-N 2 2 293.371 -0.413 20 0 CBADLP [NH3+][C@H]1C[C@@H]2C[N@H+](CC(=O)NC3CCCC3)CCN2C1=O ZINC000572857080 354900053 /nfs/dbraw/zinc/90/00/53/354900053.db2.gz MZDIEVDARWKGGB-NEPJUHHUSA-N 2 2 280.372 -0.711 20 0 CBADLP [NH3+][C@H]1C[C@@H]2C[N@@H+](CC(=O)NC3CCCC3)CCN2C1=O ZINC000572857080 354900058 /nfs/dbraw/zinc/90/00/58/354900058.db2.gz MZDIEVDARWKGGB-NEPJUHHUSA-N 2 2 280.372 -0.711 20 0 CBADLP CC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+](CC(=O)OC)C1 ZINC000572958730 354901152 /nfs/dbraw/zinc/90/11/52/354901152.db2.gz GOKRHTTZRXZOKH-QWRGUYRKSA-N 2 2 271.361 -0.275 20 0 CBADLP CC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](CC(=O)OC)C1 ZINC000572958730 354901154 /nfs/dbraw/zinc/90/11/54/354901154.db2.gz GOKRHTTZRXZOKH-QWRGUYRKSA-N 2 2 271.361 -0.275 20 0 CBADLP [NH3+]CC(F)(F)CNC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000573205519 354906758 /nfs/dbraw/zinc/90/67/58/354906758.db2.gz WMLCMZJVHIWWMR-UHFFFAOYSA-N 2 2 282.254 -0.014 20 0 CBADLP COC(=O)c1cc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c[nH]1 ZINC000573266582 354908923 /nfs/dbraw/zinc/90/89/23/354908923.db2.gz GFSZTEBAVYIKLK-GHMZBOCLSA-N 2 2 292.339 -0.455 20 0 CBADLP COC(=O)c1cc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c[nH]1 ZINC000573266584 354909261 /nfs/dbraw/zinc/90/92/61/354909261.db2.gz GFSZTEBAVYIKLK-QWRGUYRKSA-N 2 2 292.339 -0.455 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](CC(N)=O)C1 ZINC000571773088 354880140 /nfs/dbraw/zinc/88/01/40/354880140.db2.gz ZKUOTNLEZVPHMQ-QWHCGFSZSA-N 2 2 287.404 -0.487 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](CC(N)=O)C1 ZINC000571773088 354880142 /nfs/dbraw/zinc/88/01/42/354880142.db2.gz ZKUOTNLEZVPHMQ-QWHCGFSZSA-N 2 2 287.404 -0.487 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000571773088 354880144 /nfs/dbraw/zinc/88/01/44/354880144.db2.gz ZKUOTNLEZVPHMQ-QWHCGFSZSA-N 2 2 287.404 -0.487 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000571773088 354880146 /nfs/dbraw/zinc/88/01/46/354880146.db2.gz ZKUOTNLEZVPHMQ-QWHCGFSZSA-N 2 2 287.404 -0.487 20 0 CBADLP C[N@@H+]1CCN(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)[C@@H](C[NH3+])C1 ZINC000571865977 354882605 /nfs/dbraw/zinc/88/26/05/354882605.db2.gz AMOFTWIKIHFXAB-VHSXEESVSA-N 3 2 291.346 -0.732 20 0 CBADLP C[N@H+]1CCN(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)[C@@H](C[NH3+])C1 ZINC000571865977 354882608 /nfs/dbraw/zinc/88/26/08/354882608.db2.gz AMOFTWIKIHFXAB-VHSXEESVSA-N 3 2 291.346 -0.732 20 0 CBADLP CCC(=O)N1CCC[C@@H](C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])C1 ZINC000571919044 354883102 /nfs/dbraw/zinc/88/31/02/354883102.db2.gz WYKMIEMDEPFPMR-CHWSQXEVSA-N 2 2 296.415 -0.264 20 0 CBADLP CCC(=O)N1CCC[C@@H](C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])C1 ZINC000571919044 354883105 /nfs/dbraw/zinc/88/31/05/354883105.db2.gz WYKMIEMDEPFPMR-CHWSQXEVSA-N 2 2 296.415 -0.264 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@@H]([NH3+])C2CCC2)CC1 ZINC000573719372 354920009 /nfs/dbraw/zinc/92/00/09/354920009.db2.gz KKDDYDXTPXVBFP-ZDUSSCGKSA-N 2 2 282.388 -0.606 20 0 CBADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000573924566 354923986 /nfs/dbraw/zinc/92/39/86/354923986.db2.gz VPLZVIVGEIQLHK-STQMWFEESA-N 2 2 292.383 -0.030 20 0 CBADLP NC(=O)CC[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000579108932 354961815 /nfs/dbraw/zinc/96/18/15/354961815.db2.gz KIDYCTNCDCDQKW-CQSZACIVSA-N 2 2 277.368 -0.129 20 0 CBADLP CC[C@@H](CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])OC ZINC000578226907 354942353 /nfs/dbraw/zinc/94/23/53/354942353.db2.gz PQTZAIOHLQWKOL-MNOVXSKESA-N 2 2 258.366 -0.304 20 0 CBADLP CC[C@@H](CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])OC ZINC000578226907 354942354 /nfs/dbraw/zinc/94/23/54/354942354.db2.gz PQTZAIOHLQWKOL-MNOVXSKESA-N 2 2 258.366 -0.304 20 0 CBADLP C[NH+](C[C@H](O)C[N@H+](C)CCN1CCCC1=O)C1CC1 ZINC000578265436 354943179 /nfs/dbraw/zinc/94/31/79/354943179.db2.gz NLWLFYAXQSVQBP-CYBMUJFWSA-N 2 2 269.389 -0.004 20 0 CBADLP C[NH+](C[C@H](O)C[N@@H+](C)CCN1CCCC1=O)C1CC1 ZINC000578265436 354943181 /nfs/dbraw/zinc/94/31/81/354943181.db2.gz NLWLFYAXQSVQBP-CYBMUJFWSA-N 2 2 269.389 -0.004 20 0 CBADLP C[NH+](CCN1CCCC1=O)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000578265436 354943183 /nfs/dbraw/zinc/94/31/83/354943183.db2.gz NLWLFYAXQSVQBP-CYBMUJFWSA-N 2 2 269.389 -0.004 20 0 CBADLP C[NH+](CCN1CCCC1=O)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000578265436 354943184 /nfs/dbraw/zinc/94/31/84/354943184.db2.gz NLWLFYAXQSVQBP-CYBMUJFWSA-N 2 2 269.389 -0.004 20 0 CBADLP NC(=O)CC[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000579108932 354961818 /nfs/dbraw/zinc/96/18/18/354961818.db2.gz KIDYCTNCDCDQKW-CQSZACIVSA-N 2 2 277.368 -0.129 20 0 CBADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@@H]2CCC[NH2+]2)CC1 ZINC000578443730 354945619 /nfs/dbraw/zinc/94/56/19/354945619.db2.gz XQZWISCOIGZDHN-ZDUSSCGKSA-N 2 2 296.415 -0.201 20 0 CBADLP CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@@H]2CCC[NH2+]2)CC1 ZINC000578443730 354945624 /nfs/dbraw/zinc/94/56/24/354945624.db2.gz XQZWISCOIGZDHN-ZDUSSCGKSA-N 2 2 296.415 -0.201 20 0 CBADLP COC(=O)CCNC(=O)C[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000578508087 354947576 /nfs/dbraw/zinc/94/75/76/354947576.db2.gz RPXPVGUKYUQOCV-LBPRGKRZSA-N 2 2 257.334 -0.617 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+](CCO)[C@@H]1CCO[C@H]1C ZINC000578519320 354947833 /nfs/dbraw/zinc/94/78/33/354947833.db2.gz WMRPYODPNUXUGT-MELADBBJSA-N 2 2 290.404 -0.603 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+](CCO)[C@@H]1CCO[C@H]1C ZINC000578519320 354947835 /nfs/dbraw/zinc/94/78/35/354947835.db2.gz WMRPYODPNUXUGT-MELADBBJSA-N 2 2 290.404 -0.603 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+](CCO)[C@@H]1CCO[C@H]1C ZINC000578519320 354947838 /nfs/dbraw/zinc/94/78/38/354947838.db2.gz WMRPYODPNUXUGT-MELADBBJSA-N 2 2 290.404 -0.603 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+](CCO)[C@@H]1CCO[C@H]1C ZINC000578519320 354947841 /nfs/dbraw/zinc/94/78/41/354947841.db2.gz WMRPYODPNUXUGT-MELADBBJSA-N 2 2 290.404 -0.603 20 0 CBADLP C[C@H](CC(=O)NCCC[N@@H+]1CCNC(=O)C1)n1cc[nH+]c1 ZINC000578538930 354948544 /nfs/dbraw/zinc/94/85/44/354948544.db2.gz KKJSMYVLXDNPSI-GFCCVEGCSA-N 2 2 293.371 -0.228 20 0 CBADLP C[C@H](CC(=O)NCCC[N@H+]1CCNC(=O)C1)n1cc[nH+]c1 ZINC000578538930 354948547 /nfs/dbraw/zinc/94/85/47/354948547.db2.gz KKJSMYVLXDNPSI-GFCCVEGCSA-N 2 2 293.371 -0.228 20 0 CBADLP C[C@H](CNC(=O)CC(F)(F)C[NH3+])N1CC[NH+](C)CC1 ZINC000578663000 354951314 /nfs/dbraw/zinc/95/13/14/354951314.db2.gz HOWRNHRZKIEVPJ-SNVBAGLBSA-N 2 2 278.347 -0.277 20 0 CBADLP C[C@H](CNC(=O)CC(F)(F)C[NH3+])[NH+]1CCN(C)CC1 ZINC000578663000 354951316 /nfs/dbraw/zinc/95/13/16/354951316.db2.gz HOWRNHRZKIEVPJ-SNVBAGLBSA-N 2 2 278.347 -0.277 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+](C)[C@H]1CCC(=O)N(C)C1 ZINC000579124924 354963430 /nfs/dbraw/zinc/96/34/30/354963430.db2.gz YKGUEWRADOUVQH-NWDGAFQWSA-N 2 2 257.378 -0.148 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@H]1CCC(=O)N(C)C1 ZINC000579124924 354963431 /nfs/dbraw/zinc/96/34/31/354963431.db2.gz YKGUEWRADOUVQH-NWDGAFQWSA-N 2 2 257.378 -0.148 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@H+](C)[C@H]1CCC(=O)N(C)C1 ZINC000579124924 354963432 /nfs/dbraw/zinc/96/34/32/354963432.db2.gz YKGUEWRADOUVQH-NWDGAFQWSA-N 2 2 257.378 -0.148 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@H]1CCC(=O)N(C)C1 ZINC000579124924 354963433 /nfs/dbraw/zinc/96/34/33/354963433.db2.gz YKGUEWRADOUVQH-NWDGAFQWSA-N 2 2 257.378 -0.148 20 0 CBADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@]2(C)CCC[NH2+]2)CC1 ZINC000579236152 354965346 /nfs/dbraw/zinc/96/53/46/354965346.db2.gz YJKITXOVJROGKF-AWEZNQCLSA-N 2 2 282.388 -0.463 20 0 CBADLP C[N@@H+]1CCN(C(=O)NCC[C@H]2CCC[NH2+]2)[C@@H](C[NH3+])C1 ZINC000579333385 354966960 /nfs/dbraw/zinc/96/69/60/354966960.db2.gz BGLDKHNWJQRTMX-NEPJUHHUSA-N 3 2 269.393 -0.587 20 0 CBADLP C[N@H+]1CCN(C(=O)NCC[C@H]2CCC[NH2+]2)[C@@H](C[NH3+])C1 ZINC000579333385 354966963 /nfs/dbraw/zinc/96/69/63/354966963.db2.gz BGLDKHNWJQRTMX-NEPJUHHUSA-N 3 2 269.393 -0.587 20 0 CBADLP C[NH+](C)C1(CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])CCC1 ZINC000579333268 354967068 /nfs/dbraw/zinc/96/70/68/354967068.db2.gz WTUGTEKFUQEXOH-GFCCVEGCSA-N 3 2 283.420 -0.245 20 0 CBADLP C[NH+](C)C1(CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])CCC1 ZINC000579333268 354967071 /nfs/dbraw/zinc/96/70/71/354967071.db2.gz WTUGTEKFUQEXOH-GFCCVEGCSA-N 3 2 283.420 -0.245 20 0 CBADLP C[N@@H+]1CCN(C(=O)COC[C@@H]2CCCO2)[C@@H](C[NH3+])C1 ZINC000579351361 354968434 /nfs/dbraw/zinc/96/84/34/354968434.db2.gz TTZNPAUNWGERGE-RYUDHWBXSA-N 2 2 271.361 -0.717 20 0 CBADLP C[N@H+]1CCN(C(=O)COC[C@@H]2CCCO2)[C@@H](C[NH3+])C1 ZINC000579351361 354968438 /nfs/dbraw/zinc/96/84/38/354968438.db2.gz TTZNPAUNWGERGE-RYUDHWBXSA-N 2 2 271.361 -0.717 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC2(CC1)NC(=O)N(C)C2=O ZINC000579607836 354974951 /nfs/dbraw/zinc/97/49/51/354974951.db2.gz BEIKTUUMWYDAAK-LLVKDONJSA-N 2 2 298.387 -0.685 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC2(CC1)NC(=O)N(C)C2=O ZINC000579607836 354974954 /nfs/dbraw/zinc/97/49/54/354974954.db2.gz BEIKTUUMWYDAAK-LLVKDONJSA-N 2 2 298.387 -0.685 20 0 CBADLP C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)Cn1cc[nH+]c1 ZINC000579719753 354977959 /nfs/dbraw/zinc/97/79/59/354977959.db2.gz IBRFIXUALSTDDE-RYUDHWBXSA-N 2 2 266.345 -0.203 20 0 CBADLP C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)Cn1cc[nH+]c1 ZINC000579719753 354977963 /nfs/dbraw/zinc/97/79/63/354977963.db2.gz IBRFIXUALSTDDE-RYUDHWBXSA-N 2 2 266.345 -0.203 20 0 CBADLP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)Cn1cc[nH+]c1 ZINC000579719756 354978138 /nfs/dbraw/zinc/97/81/38/354978138.db2.gz IBRFIXUALSTDDE-VXGBXAGGSA-N 2 2 266.345 -0.203 20 0 CBADLP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)Cn1cc[nH+]c1 ZINC000579719756 354978139 /nfs/dbraw/zinc/97/81/39/354978139.db2.gz IBRFIXUALSTDDE-VXGBXAGGSA-N 2 2 266.345 -0.203 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(C(=O)NC)CC1 ZINC000579727316 354978145 /nfs/dbraw/zinc/97/81/45/354978145.db2.gz FQDCMRAPYZMQSI-GFCCVEGCSA-N 2 2 257.378 -0.243 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(C(=O)NC)CC1 ZINC000579727316 354978146 /nfs/dbraw/zinc/97/81/46/354978146.db2.gz FQDCMRAPYZMQSI-GFCCVEGCSA-N 2 2 257.378 -0.243 20 0 CBADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@H]2CCCCC[NH2+]2)CC1 ZINC000580080009 354987914 /nfs/dbraw/zinc/98/79/14/354987914.db2.gz LYIFXBGXLWVBGQ-GFCCVEGCSA-N 2 2 296.415 -0.073 20 0 CBADLP C[C@H]([NH3+])C[C@H](C)NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000580323834 354993619 /nfs/dbraw/zinc/99/36/19/354993619.db2.gz LRAIGPGNUUYBOW-SDDRHHMPSA-N 2 2 271.409 -0.343 20 0 CBADLP C[C@H]([NH3+])C[C@H](C)NC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000580323834 354993621 /nfs/dbraw/zinc/99/36/21/354993621.db2.gz LRAIGPGNUUYBOW-SDDRHHMPSA-N 2 2 271.409 -0.343 20 0 CBADLP C[N@@H+]1CCN(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)[C@H](C[NH3+])C1 ZINC000580823787 354998764 /nfs/dbraw/zinc/99/87/64/354998764.db2.gz YDJWFWGZSASZPJ-HZSPNIEDSA-N 3 2 295.431 -0.341 20 0 CBADLP C[N@H+]1CCN(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)[C@H](C[NH3+])C1 ZINC000580823787 354998767 /nfs/dbraw/zinc/99/87/67/354998767.db2.gz YDJWFWGZSASZPJ-HZSPNIEDSA-N 3 2 295.431 -0.341 20 0 CBADLP C[NH2+]CCCNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000580843533 355001016 /nfs/dbraw/zinc/00/10/16/355001016.db2.gz DDSUZXSGPAQWME-UHFFFAOYSA-N 2 2 275.312 -0.002 20 0 CBADLP C[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000584524809 355031372 /nfs/dbraw/zinc/03/13/72/355031372.db2.gz JQQVETSWLWEDFS-UONOGXRCSA-N 3 2 270.421 -0.722 20 0 CBADLP C[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000584524809 355031374 /nfs/dbraw/zinc/03/13/74/355031374.db2.gz JQQVETSWLWEDFS-UONOGXRCSA-N 3 2 270.421 -0.722 20 0 CBADLP [NH3+]CCC1CCN(C(=O)C(=O)NCCn2cc[nH+]c2)CC1 ZINC000584727173 355036445 /nfs/dbraw/zinc/03/64/45/355036445.db2.gz XPJKRJMNCULASQ-UHFFFAOYSA-N 2 2 293.371 -0.413 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000584779160 355037537 /nfs/dbraw/zinc/03/75/37/355037537.db2.gz BRTZRMHUPLKPLI-NWDGAFQWSA-N 2 2 284.404 -0.443 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000584779160 355037540 /nfs/dbraw/zinc/03/75/40/355037540.db2.gz BRTZRMHUPLKPLI-NWDGAFQWSA-N 2 2 284.404 -0.443 20 0 CBADLP C[C@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000584837795 355039924 /nfs/dbraw/zinc/03/99/24/355039924.db2.gz JYYNAZCVDPNZJE-GHMZBOCLSA-N 2 2 282.388 -0.608 20 0 CBADLP O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000582064153 355007736 /nfs/dbraw/zinc/00/77/36/355007736.db2.gz WTQWCIWEIXQITK-AEJSXWLSSA-N 2 2 275.299 -0.427 20 0 CBADLP [NH3+][C@H](CNC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)C1CC1 ZINC000582231457 355010659 /nfs/dbraw/zinc/01/06/59/355010659.db2.gz XNFAEBHHCMPVNB-FRRDWIJNSA-N 2 2 282.388 -0.114 20 0 CBADLP [NH3+][C@H](CNC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)C1CC1 ZINC000582231457 355010663 /nfs/dbraw/zinc/01/06/63/355010663.db2.gz XNFAEBHHCMPVNB-FRRDWIJNSA-N 2 2 282.388 -0.114 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)[C@H]([NH3+])C2CCC2)CCO1 ZINC000582243746 355012127 /nfs/dbraw/zinc/01/21/27/355012127.db2.gz WOFPSLKSINXTHT-CMPLNLGQSA-N 2 2 255.362 -0.049 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)[C@H]([NH3+])C2CCC2)CCO1 ZINC000582243746 355012130 /nfs/dbraw/zinc/01/21/30/355012130.db2.gz WOFPSLKSINXTHT-CMPLNLGQSA-N 2 2 255.362 -0.049 20 0 CBADLP COC(=O)CCC[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000582312501 355013888 /nfs/dbraw/zinc/01/38/88/355013888.db2.gz ZUWNFFRPLHHRPY-ZJUUUORDSA-N 2 2 255.318 -0.817 20 0 CBADLP COC(=O)CCC[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000582312501 355013892 /nfs/dbraw/zinc/01/38/92/355013892.db2.gz ZUWNFFRPLHHRPY-ZJUUUORDSA-N 2 2 255.318 -0.817 20 0 CBADLP Cc1cc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)ncn1 ZINC000582370889 355014697 /nfs/dbraw/zinc/01/46/97/355014697.db2.gz CIFXPCSLKRKEGQ-NWDGAFQWSA-N 2 2 261.329 -0.471 20 0 CBADLP Cc1cc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)ncn1 ZINC000582370889 355014699 /nfs/dbraw/zinc/01/46/99/355014699.db2.gz CIFXPCSLKRKEGQ-NWDGAFQWSA-N 2 2 261.329 -0.471 20 0 CBADLP Cc1cc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)ncn1 ZINC000582370888 355014872 /nfs/dbraw/zinc/01/48/72/355014872.db2.gz CIFXPCSLKRKEGQ-NEPJUHHUSA-N 2 2 261.329 -0.471 20 0 CBADLP Cc1cc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)ncn1 ZINC000582370888 355014874 /nfs/dbraw/zinc/01/48/74/355014874.db2.gz CIFXPCSLKRKEGQ-NEPJUHHUSA-N 2 2 261.329 -0.471 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(N2CCNC2=O)CC1 ZINC000582554082 355016880 /nfs/dbraw/zinc/01/68/80/355016880.db2.gz BOWJSEFWUIBEHJ-CYBMUJFWSA-N 2 2 284.404 -0.211 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(N2CCNC2=O)CC1 ZINC000582554082 355016883 /nfs/dbraw/zinc/01/68/83/355016883.db2.gz BOWJSEFWUIBEHJ-CYBMUJFWSA-N 2 2 284.404 -0.211 20 0 CBADLP CC(C)CNC(=O)[C@H](C)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000583511186 355018928 /nfs/dbraw/zinc/01/89/28/355018928.db2.gz SGLCIVYLYXQWIM-SRVKXCTJSA-N 2 2 282.388 -0.609 20 0 CBADLP CC(C)CNC(=O)[C@H](C)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000583511186 355018930 /nfs/dbraw/zinc/01/89/30/355018930.db2.gz SGLCIVYLYXQWIM-SRVKXCTJSA-N 2 2 282.388 -0.609 20 0 CBADLP C[NH2+]CC(=O)NC[C@@H]1CCC[N@H+](CC(=O)OC)C1 ZINC000583870912 355023370 /nfs/dbraw/zinc/02/33/70/355023370.db2.gz ZEGQHMAWQNBSQI-JTQLQIEISA-N 2 2 257.334 -0.793 20 0 CBADLP C[NH2+]CC(=O)NC[C@@H]1CCC[N@@H+](CC(=O)OC)C1 ZINC000583870912 355023375 /nfs/dbraw/zinc/02/33/75/355023375.db2.gz ZEGQHMAWQNBSQI-JTQLQIEISA-N 2 2 257.334 -0.793 20 0 CBADLP O=C(C[NH+]1CCN(c2[nH]cc[nH+]2)CC1)NC[C@@H]1CCCO1 ZINC000583942128 355025503 /nfs/dbraw/zinc/02/55/03/355025503.db2.gz BBHDJDRIBBWPPP-LBPRGKRZSA-N 2 2 293.371 -0.173 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000591096400 355091766 /nfs/dbraw/zinc/09/17/66/355091766.db2.gz JPKORHBJUDCLCB-NWDGAFQWSA-N 2 2 255.362 -0.225 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000591096400 355091768 /nfs/dbraw/zinc/09/17/68/355091768.db2.gz JPKORHBJUDCLCB-NWDGAFQWSA-N 2 2 255.362 -0.225 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N1CC[NH+](C)CC1 ZINC000591600077 355098165 /nfs/dbraw/zinc/09/81/65/355098165.db2.gz BMTBZZUBTBRPFI-LBPRGKRZSA-N 2 2 270.377 -0.336 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)N1CC[NH+](C)CC1 ZINC000591600077 355098167 /nfs/dbraw/zinc/09/81/67/355098167.db2.gz BMTBZZUBTBRPFI-LBPRGKRZSA-N 2 2 270.377 -0.336 20 0 CBADLP C[N@@H+]1CC[C@@H]2CN(C(=O)NCC[NH+]3CCOCC3)C[C@@H]21 ZINC000454243445 283080917 /nfs/dbraw/zinc/08/09/17/283080917.db2.gz OXOYIOBXXZJRIV-OLZOCXBDSA-N 2 2 282.388 -0.336 20 0 CBADLP C[N@H+]1CC[C@@H]2CN(C(=O)NCC[NH+]3CCOCC3)C[C@@H]21 ZINC000454243445 283080920 /nfs/dbraw/zinc/08/09/20/283080920.db2.gz OXOYIOBXXZJRIV-OLZOCXBDSA-N 2 2 282.388 -0.336 20 0 CBADLP COC(=O)[C@@H]1C[NH2+]CCCN1Cc1c[nH+]cn1C ZINC000592433135 355153607 /nfs/dbraw/zinc/15/36/07/355153607.db2.gz AIKNSKLLWHOCIW-NSHDSACASA-N 2 2 252.318 -0.243 20 0 CBADLP COC(=O)[C@@H]1C[NH2+]CCCN1Cc1[nH+]ccn1C ZINC000592434476 355153883 /nfs/dbraw/zinc/15/38/83/355153883.db2.gz IKRGLIMTUKZTMD-JTQLQIEISA-N 2 2 252.318 -0.243 20 0 CBADLP CC[C@H]1C[N@H+](CC(=O)NCCC(=O)OC)CC[C@@H]1[NH3+] ZINC000592487930 355157058 /nfs/dbraw/zinc/15/70/58/355157058.db2.gz CSSAOAWOYNPTHW-QWRGUYRKSA-N 2 2 271.361 -0.275 20 0 CBADLP CC[C@H]1C[N@@H+](CC(=O)NCCC(=O)OC)CC[C@@H]1[NH3+] ZINC000592487930 355157060 /nfs/dbraw/zinc/15/70/60/355157060.db2.gz CSSAOAWOYNPTHW-QWRGUYRKSA-N 2 2 271.361 -0.275 20 0 CBADLP COC(=O)CCNC(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000592489006 355157400 /nfs/dbraw/zinc/15/74/00/355157400.db2.gz AGHKWHOMYYFRJP-CQSZACIVSA-N 2 2 283.372 -0.259 20 0 CBADLP COC(=O)CCNC(=O)C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000592489006 355157403 /nfs/dbraw/zinc/15/74/03/355157403.db2.gz AGHKWHOMYYFRJP-CQSZACIVSA-N 2 2 283.372 -0.259 20 0 CBADLP CC[C@@](C)(NC(=O)[C@H]([NH3+])CC[NH+](C)C)C(=O)OC ZINC000593903669 355226075 /nfs/dbraw/zinc/22/60/75/355226075.db2.gz JLDYAPRJMHAPJN-BXKDBHETSA-N 2 2 259.350 -0.277 20 0 CBADLP COC(=O)[C@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)C(C)(C)C ZINC000593904037 355226829 /nfs/dbraw/zinc/22/68/29/355226829.db2.gz QEGMCIDPAUAGAI-ZJUUUORDSA-N 2 2 273.377 -0.031 20 0 CBADLP CCOC(=O)[C@H]1CCCN1C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000593907143 355226998 /nfs/dbraw/zinc/22/69/98/355226998.db2.gz MWDCKYLJMMKIKY-WDEREUQCSA-N 2 2 271.361 -0.181 20 0 CBADLP COC(=O)CC1(NC(=O)[C@H]([NH3+])CC[NH+](C)C)CCC1 ZINC000593909190 355227780 /nfs/dbraw/zinc/22/77/80/355227780.db2.gz HWADZGAYZLBTJN-SNVBAGLBSA-N 2 2 271.361 -0.133 20 0 CBADLP CCO[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(=O)NC2CC2)C[C@H]1C[NH3+] ZINC000593737143 355217542 /nfs/dbraw/zinc/21/75/42/355217542.db2.gz PMABHXBAQJOPHS-CKYFFXLPSA-N 2 2 298.387 -0.341 20 0 CBADLP CCO[C@@H]1C[N@H+]([C@H](C)C(=O)NC(=O)NC2CC2)C[C@H]1C[NH3+] ZINC000593737143 355217544 /nfs/dbraw/zinc/21/75/44/355217544.db2.gz PMABHXBAQJOPHS-CKYFFXLPSA-N 2 2 298.387 -0.341 20 0 CBADLP CC(C)OC(=O)CC[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000594876074 355266007 /nfs/dbraw/zinc/26/60/07/355266007.db2.gz BYYIXDGEWMFELO-MNOVXSKESA-N 2 2 269.345 -0.428 20 0 CBADLP CC(C)OC(=O)CC[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000594876074 355266011 /nfs/dbraw/zinc/26/60/11/355266011.db2.gz BYYIXDGEWMFELO-MNOVXSKESA-N 2 2 269.345 -0.428 20 0 CBADLP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000594917387 355268826 /nfs/dbraw/zinc/26/88/26/355268826.db2.gz JEMJWFXYNQCNBV-IJLUTSLNSA-N 2 2 283.372 -0.452 20 0 CBADLP CNC(=O)NC(=O)C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595508186 355290416 /nfs/dbraw/zinc/29/04/16/355290416.db2.gz UZJKOZWBHYIZKC-CYBMUJFWSA-N 2 2 268.361 -0.140 20 0 CBADLP CNC(=O)NC(=O)C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595508186 355290422 /nfs/dbraw/zinc/29/04/22/355290422.db2.gz UZJKOZWBHYIZKC-CYBMUJFWSA-N 2 2 268.361 -0.140 20 0 CBADLP CNC(=O)NC(=O)C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000595508186 355290426 /nfs/dbraw/zinc/29/04/26/355290426.db2.gz UZJKOZWBHYIZKC-CYBMUJFWSA-N 2 2 268.361 -0.140 20 0 CBADLP CNC(=O)NC(=O)C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000595508186 355290429 /nfs/dbraw/zinc/29/04/29/355290429.db2.gz UZJKOZWBHYIZKC-CYBMUJFWSA-N 2 2 268.361 -0.140 20 0 CBADLP CNC(=O)NC(=O)C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595508187 355290685 /nfs/dbraw/zinc/29/06/85/355290685.db2.gz UZJKOZWBHYIZKC-ZDUSSCGKSA-N 2 2 268.361 -0.140 20 0 CBADLP CNC(=O)NC(=O)C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595508187 355290687 /nfs/dbraw/zinc/29/06/87/355290687.db2.gz UZJKOZWBHYIZKC-ZDUSSCGKSA-N 2 2 268.361 -0.140 20 0 CBADLP CNC(=O)NC(=O)C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000595508187 355290688 /nfs/dbraw/zinc/29/06/88/355290688.db2.gz UZJKOZWBHYIZKC-ZDUSSCGKSA-N 2 2 268.361 -0.140 20 0 CBADLP CNC(=O)NC(=O)C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000595508187 355290690 /nfs/dbraw/zinc/29/06/90/355290690.db2.gz UZJKOZWBHYIZKC-ZDUSSCGKSA-N 2 2 268.361 -0.140 20 0 CBADLP COC(=O)[C@@](C)(CO)[NH2+]CCCc1c[nH+]cn1C ZINC000595533541 355293201 /nfs/dbraw/zinc/29/32/01/355293201.db2.gz LDTYRYXOFOHJRM-GFCCVEGCSA-N 2 2 255.318 -0.134 20 0 CBADLP COC(=O)[C@H]1C[C@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000595983053 355334907 /nfs/dbraw/zinc/33/49/07/355334907.db2.gz MYRDWZGOWAUPNO-GUBZILKMSA-N 2 2 257.334 -0.667 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)[C@H]1C[C@@H](C(=O)OC)C1 ZINC000595856172 355311273 /nfs/dbraw/zinc/31/12/73/355311273.db2.gz JLGUEASJPUFNOB-FRRDWIJNSA-N 2 2 288.388 -0.191 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@H]1C[C@@H](C(=O)OC)C1 ZINC000595856172 355311276 /nfs/dbraw/zinc/31/12/76/355311276.db2.gz JLGUEASJPUFNOB-FRRDWIJNSA-N 2 2 288.388 -0.191 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)[C@H]1C[C@@H](C(=O)OC)C1 ZINC000595856172 355311278 /nfs/dbraw/zinc/31/12/78/355311278.db2.gz JLGUEASJPUFNOB-FRRDWIJNSA-N 2 2 288.388 -0.191 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@H]1C[C@@H](C(=O)OC)C1 ZINC000595856172 355311281 /nfs/dbraw/zinc/31/12/81/355311281.db2.gz JLGUEASJPUFNOB-FRRDWIJNSA-N 2 2 288.388 -0.191 20 0 CBADLP COC(=O)CCN1CC[C@@H]([N@@H+]2CCC[NH2+]CC2)C1=O ZINC000595892240 355314362 /nfs/dbraw/zinc/31/43/62/355314362.db2.gz KWUKPAXAUBQRSU-LLVKDONJSA-N 2 2 269.345 -0.554 20 0 CBADLP COC(=O)CCN1CC[C@@H]([N@H+]2CCC[NH2+]CC2)C1=O ZINC000595892240 355314366 /nfs/dbraw/zinc/31/43/66/355314366.db2.gz KWUKPAXAUBQRSU-LLVKDONJSA-N 2 2 269.345 -0.554 20 0 CBADLP C[NH2+]CCC[N@H+](C)[C@H]1CCN(CCC(=O)OC)C1=O ZINC000595889972 355314500 /nfs/dbraw/zinc/31/45/00/355314500.db2.gz ANQXOAWVJCLXQA-NSHDSACASA-N 2 2 271.361 -0.308 20 0 CBADLP C[NH2+]CCC[N@@H+](C)[C@H]1CCN(CCC(=O)OC)C1=O ZINC000595889972 355314502 /nfs/dbraw/zinc/31/45/02/355314502.db2.gz ANQXOAWVJCLXQA-NSHDSACASA-N 2 2 271.361 -0.308 20 0 CBADLP COC(=O)CCN1CC[C@@H]([NH+]2CCC3(CC[NH2+]3)CC2)C1=O ZINC000595892699 355314803 /nfs/dbraw/zinc/31/48/03/355314803.db2.gz KITRSRIWFIESGS-GFCCVEGCSA-N 2 2 295.383 -0.022 20 0 CBADLP Cc1nnsc1C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000595902979 355316543 /nfs/dbraw/zinc/31/65/43/355316543.db2.gz LBGIKUPOSCWJSE-IUCAKERBSA-N 2 2 267.358 -0.410 20 0 CBADLP Cc1nnsc1C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000595902979 355316545 /nfs/dbraw/zinc/31/65/45/355316545.db2.gz LBGIKUPOSCWJSE-IUCAKERBSA-N 2 2 267.358 -0.410 20 0 CBADLP Cc1nocc1C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000595902677 355316726 /nfs/dbraw/zinc/31/67/26/355316726.db2.gz FFRQYKJWTLXDKP-QWRGUYRKSA-N 2 2 250.302 -0.273 20 0 CBADLP Cc1nocc1C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000595902677 355316730 /nfs/dbraw/zinc/31/67/30/355316730.db2.gz FFRQYKJWTLXDKP-QWRGUYRKSA-N 2 2 250.302 -0.273 20 0 CBADLP COC(=O)C[C@H]([NH3+])C(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000595939811 355322235 /nfs/dbraw/zinc/32/22/35/355322235.db2.gz LPWQJYIMUGOPQJ-DCAQKATOSA-N 2 2 287.360 -0.898 20 0 CBADLP COC(=O)C[C@H]([NH3+])C(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000595939811 355322238 /nfs/dbraw/zinc/32/22/38/355322238.db2.gz LPWQJYIMUGOPQJ-DCAQKATOSA-N 2 2 287.360 -0.898 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@](OC)(C(=O)OC)C1 ZINC000599557802 355498683 /nfs/dbraw/zinc/49/86/83/355498683.db2.gz CBLATCZQGYIIIQ-WCQYABFASA-N 2 2 274.361 -0.437 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@](OC)(C(=O)OC)C1 ZINC000599557802 355498685 /nfs/dbraw/zinc/49/86/85/355498685.db2.gz CBLATCZQGYIIIQ-WCQYABFASA-N 2 2 274.361 -0.437 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@](OC)(C(=O)OC)C1 ZINC000599557802 355498688 /nfs/dbraw/zinc/49/86/88/355498688.db2.gz CBLATCZQGYIIIQ-WCQYABFASA-N 2 2 274.361 -0.437 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@](OC)(C(=O)OC)C1 ZINC000599557802 355498690 /nfs/dbraw/zinc/49/86/90/355498690.db2.gz CBLATCZQGYIIIQ-WCQYABFASA-N 2 2 274.361 -0.437 20 0 CBADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1N1CC[NH+](CCO)CC1 ZINC000377026239 291067254 /nfs/dbraw/zinc/06/72/54/291067254.db2.gz AHMHKAJTQTUKHJ-LSDHHAIUSA-N 2 2 298.431 -0.694 20 0 CBADLP COC(=O)CN(C)C(=O)CC[N@@H+]1CCc2[nH+]c[nH]c2C1 ZINC000599430163 355488315 /nfs/dbraw/zinc/48/83/15/355488315.db2.gz NKDIKULQBRZDJR-UHFFFAOYSA-N 2 2 280.328 -0.211 20 0 CBADLP COC(=O)CN(C)C(=O)CC[N@H+]1CCc2[nH+]c[nH]c2C1 ZINC000599430163 355488317 /nfs/dbraw/zinc/48/83/17/355488317.db2.gz NKDIKULQBRZDJR-UHFFFAOYSA-N 2 2 280.328 -0.211 20 0 CBADLP Nc1ncccc1C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000600708188 355561836 /nfs/dbraw/zinc/56/18/36/355561836.db2.gz DLTXUMQNTOPPCR-GHMZBOCLSA-N 2 2 261.329 -0.592 20 0 CBADLP Nc1ncccc1C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000600708188 355561838 /nfs/dbraw/zinc/56/18/38/355561838.db2.gz DLTXUMQNTOPPCR-GHMZBOCLSA-N 2 2 261.329 -0.592 20 0 CBADLP COC(=O)CCNC(=O)CC[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000600712036 355562013 /nfs/dbraw/zinc/56/20/13/355562013.db2.gz VOIIYVQLMCKEGI-GHMZBOCLSA-N 2 2 271.361 -0.357 20 0 CBADLP CCNC(=O)NC(=O)[C@H](C)[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000601333804 355588404 /nfs/dbraw/zinc/58/84/04/355588404.db2.gz VICCVHARTKFVLI-CWSCBRNRSA-N 2 2 268.361 -0.048 20 0 CBADLP COC(=O)CCNC(=O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000601334936 355588509 /nfs/dbraw/zinc/58/85/09/355588509.db2.gz OUIDGNOYPJIOAC-NEPJUHHUSA-N 2 2 283.372 -0.260 20 0 CBADLP COC(=O)CCNC(=O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000601334936 355588514 /nfs/dbraw/zinc/58/85/14/355588514.db2.gz OUIDGNOYPJIOAC-NEPJUHHUSA-N 2 2 283.372 -0.260 20 0 CBADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000600749746 355565305 /nfs/dbraw/zinc/56/53/05/355565305.db2.gz RGIFTZCELGUDNN-KPXOXKRLSA-N 2 2 254.334 -0.499 20 0 CBADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000600749746 355565308 /nfs/dbraw/zinc/56/53/08/355565308.db2.gz RGIFTZCELGUDNN-KPXOXKRLSA-N 2 2 254.334 -0.499 20 0 CBADLP CC[NH+]1CCN(C(=O)C2([S@](C)=O)CC[NH2+]CC2)CC1 ZINC000602468175 355652295 /nfs/dbraw/zinc/65/22/95/355652295.db2.gz UTFQJLUGJHPBGL-IBGZPJMESA-N 2 2 287.429 -0.349 20 0 CBADLP COC(=O)c1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)n1C ZINC000602017135 355624616 /nfs/dbraw/zinc/62/46/16/355624616.db2.gz NMDXYJODJKETFO-AWEZNQCLSA-N 2 2 281.356 -0.032 20 0 CBADLP COC(=O)c1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)n1C ZINC000602017135 355624617 /nfs/dbraw/zinc/62/46/17/355624617.db2.gz NMDXYJODJKETFO-AWEZNQCLSA-N 2 2 281.356 -0.032 20 0 CBADLP [NH3+][C@@H]1C[C@H]2CN(c3nc[nH+]c4c3OCCN4)CCN2C1=O ZINC000601982552 355625010 /nfs/dbraw/zinc/62/50/10/355625010.db2.gz HSEBZODWVMVGBY-DTWKUNHWSA-N 2 2 290.327 -0.971 20 0 CBADLP [NH3+][C@@H]1C[C@H]2CN(c3[nH+]cnc4c3OCCN4)CCN2C1=O ZINC000601982552 355625014 /nfs/dbraw/zinc/62/50/14/355625014.db2.gz HSEBZODWVMVGBY-DTWKUNHWSA-N 2 2 290.327 -0.971 20 0 CBADLP CCn1c[nH+]cc1C[NH2+]CC(=O)NCC(=O)OC ZINC000602748991 355669429 /nfs/dbraw/zinc/66/94/29/355669429.db2.gz IRRRKLUIIILAHU-UHFFFAOYSA-N 2 2 254.290 -0.718 20 0 CBADLP COC(=O)C1(C[N@H+](C)CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000602989008 355690555 /nfs/dbraw/zinc/69/05/55/355690555.db2.gz AWWDWLASYKQCGD-UHFFFAOYSA-N 2 2 283.372 -0.355 20 0 CBADLP COC(=O)C1(C[N@@H+](C)CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000602989008 355690557 /nfs/dbraw/zinc/69/05/57/355690557.db2.gz AWWDWLASYKQCGD-UHFFFAOYSA-N 2 2 283.372 -0.355 20 0 CBADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](Cc3ccns3)CCN2C1=O ZINC000603427825 355715016 /nfs/dbraw/zinc/71/50/16/355715016.db2.gz GBMGAZQVNRHPSC-PSASIEDQSA-N 2 2 252.343 -0.113 20 0 CBADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](Cc3ccns3)CCN2C1=O ZINC000603427825 355715019 /nfs/dbraw/zinc/71/50/19/355715019.db2.gz GBMGAZQVNRHPSC-PSASIEDQSA-N 2 2 252.343 -0.113 20 0 CBADLP c1c[nH+]c(CN2CC[NH+](C[C@@H]3COCCO3)CC2)[nH]1 ZINC000603497221 355717922 /nfs/dbraw/zinc/71/79/22/355717922.db2.gz POTOGEJDFUGSHB-GFCCVEGCSA-N 2 2 266.345 -0.057 20 0 CBADLP COC(=O)CNC(=O)[C@H]1CCC[N@@H+]1CCc1c[nH+]cn1C ZINC000602844197 355674701 /nfs/dbraw/zinc/67/47/01/355674701.db2.gz BQDMGWBOBDZDGY-GFCCVEGCSA-N 2 2 294.355 -0.284 20 0 CBADLP COC(=O)CNC(=O)[C@H]1CCC[N@H+]1CCc1c[nH+]cn1C ZINC000602844197 355674705 /nfs/dbraw/zinc/67/47/05/355674705.db2.gz BQDMGWBOBDZDGY-GFCCVEGCSA-N 2 2 294.355 -0.284 20 0 CBADLP CCOC(=O)COCC[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000602877852 355679432 /nfs/dbraw/zinc/67/94/32/355679432.db2.gz SNQXHAOWLITLMX-AWEZNQCLSA-N 2 2 288.388 -0.045 20 0 CBADLP CCOC(=O)COCC[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000602877852 355679435 /nfs/dbraw/zinc/67/94/35/355679435.db2.gz SNQXHAOWLITLMX-AWEZNQCLSA-N 2 2 288.388 -0.045 20 0 CBADLP CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000604749860 355727481 /nfs/dbraw/zinc/72/74/81/355727481.db2.gz DNSHRMMCGAJDGP-RYUDHWBXSA-N 2 2 255.362 -0.083 20 0 CBADLP CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000604749860 355727485 /nfs/dbraw/zinc/72/74/85/355727485.db2.gz DNSHRMMCGAJDGP-RYUDHWBXSA-N 2 2 255.362 -0.083 20 0 CBADLP CC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000604749860 355727488 /nfs/dbraw/zinc/72/74/88/355727488.db2.gz DNSHRMMCGAJDGP-RYUDHWBXSA-N 2 2 255.362 -0.083 20 0 CBADLP CC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000604749860 355727491 /nfs/dbraw/zinc/72/74/91/355727491.db2.gz DNSHRMMCGAJDGP-RYUDHWBXSA-N 2 2 255.362 -0.083 20 0 CBADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H](O)C2CC2)CC1 ZINC000611974862 355817890 /nfs/dbraw/zinc/81/78/90/355817890.db2.gz SFHBQVAHEBILMF-ZDUSSCGKSA-N 2 2 269.389 -0.101 20 0 CBADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@H]2CC(=O)N2)CC1 ZINC000611975259 355818108 /nfs/dbraw/zinc/81/81/08/355818108.db2.gz ZUYWMZOXJVYLKA-LLVKDONJSA-N 2 2 268.361 -0.983 20 0 CBADLP C[N@@H+]1CCN(C(=O)NCCOCCF)[C@H](C[NH3+])C1 ZINC000612936203 355857715 /nfs/dbraw/zinc/85/77/15/355857715.db2.gz VILRTORHTABONL-SNVBAGLBSA-N 2 2 262.329 -0.743 20 0 CBADLP C[N@H+]1CCN(C(=O)NCCOCCF)[C@H](C[NH3+])C1 ZINC000612936203 355857716 /nfs/dbraw/zinc/85/77/16/355857716.db2.gz VILRTORHTABONL-SNVBAGLBSA-N 2 2 262.329 -0.743 20 0 CBADLP C[C@@H]1CN(C(=O)C2([NH+](C)C)CC2)CC[N@@H+]1CCO ZINC000613697818 355905930 /nfs/dbraw/zinc/90/59/30/355905930.db2.gz MVFGPAGPIACZOQ-LLVKDONJSA-N 2 2 255.362 -0.394 20 0 CBADLP C[C@@H]1CN(C(=O)C2([NH+](C)C)CC2)CC[N@H+]1CCO ZINC000613697818 355905935 /nfs/dbraw/zinc/90/59/35/355905935.db2.gz MVFGPAGPIACZOQ-LLVKDONJSA-N 2 2 255.362 -0.394 20 0 CBADLP CN(C)[C@H](C(=O)N[C@H](CO)C[NH+](C)C)c1c[nH+]cn1C ZINC000614847483 355989261 /nfs/dbraw/zinc/98/92/61/355989261.db2.gz MDANOEPNOSENFW-JQWIXIFHSA-N 2 2 283.376 -0.939 20 0 CBADLP C[NH+](C)C[C@H](CO)NC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000614851662 355991179 /nfs/dbraw/zinc/99/11/79/355991179.db2.gz KGRJODLGXRSBPW-SECBINFHSA-N 2 2 254.334 -0.274 20 0 CBADLP CCN1OC[C@@H]([N@@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)C1=O ZINC000616015874 356063593 /nfs/dbraw/zinc/06/35/93/356063593.db2.gz FMCDHHWPOSJKKV-ZIAGYGMSSA-N 2 2 296.415 -0.140 20 0 CBADLP CCN1OC[C@@H]([N@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)C1=O ZINC000616015874 356063596 /nfs/dbraw/zinc/06/35/96/356063596.db2.gz FMCDHHWPOSJKKV-ZIAGYGMSSA-N 2 2 296.415 -0.140 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000615544762 356039074 /nfs/dbraw/zinc/03/90/74/356039074.db2.gz CCEKHQJRQVAROY-KGLIPLIRSA-N 2 2 297.399 -0.360 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000615544762 356039076 /nfs/dbraw/zinc/03/90/76/356039076.db2.gz CCEKHQJRQVAROY-KGLIPLIRSA-N 2 2 297.399 -0.360 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2C[NH+](C)CCO2)[C@@H](C)CO1 ZINC000617731174 356152615 /nfs/dbraw/zinc/15/26/15/356152615.db2.gz WJLLFYYBLODXDP-XQQFMLRXSA-N 2 2 285.388 -0.458 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2C[NH+](C)CCO2)[C@@H](C)CO1 ZINC000617731174 356152616 /nfs/dbraw/zinc/15/26/16/356152616.db2.gz WJLLFYYBLODXDP-XQQFMLRXSA-N 2 2 285.388 -0.458 20 0 CBADLP C[C@@H]1C[NH+](CCNC(=O)[C@@H]2C[N@H+](C)CCO2)[C@@H](C)CO1 ZINC000617731174 356152617 /nfs/dbraw/zinc/15/26/17/356152617.db2.gz WJLLFYYBLODXDP-XQQFMLRXSA-N 2 2 285.388 -0.458 20 0 CBADLP C[C@@H]1C[NH+](CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@@H](C)CO1 ZINC000617731174 356152618 /nfs/dbraw/zinc/15/26/18/356152618.db2.gz WJLLFYYBLODXDP-XQQFMLRXSA-N 2 2 285.388 -0.458 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)CN2CC[NH+](C)CC2)[C@@H](C)CO1 ZINC000617733236 356152675 /nfs/dbraw/zinc/15/26/75/356152675.db2.gz OMNINHBAHFBNNK-UONOGXRCSA-N 2 2 298.431 -0.541 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)CN2CC[NH+](C)CC2)[C@@H](C)CO1 ZINC000617733236 356152677 /nfs/dbraw/zinc/15/26/77/356152677.db2.gz OMNINHBAHFBNNK-UONOGXRCSA-N 2 2 298.431 -0.541 20 0 CBADLP Cn1nccc1CC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617764451 356155457 /nfs/dbraw/zinc/15/54/57/356155457.db2.gz XZXZUEONPRMTQJ-UHFFFAOYSA-N 2 2 281.404 -0.038 20 0 CBADLP Cn1nccc1CC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617764451 356155461 /nfs/dbraw/zinc/15/54/61/356155461.db2.gz XZXZUEONPRMTQJ-UHFFFAOYSA-N 2 2 281.404 -0.038 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1CC[C@H]1C(N)=O ZINC000617764331 356156016 /nfs/dbraw/zinc/15/60/16/356156016.db2.gz RPZLSLUQNWPYMS-NEPJUHHUSA-N 2 2 284.404 -0.502 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1CC[C@H]1C(N)=O ZINC000617764331 356156019 /nfs/dbraw/zinc/15/60/19/356156019.db2.gz RPZLSLUQNWPYMS-NEPJUHHUSA-N 2 2 284.404 -0.502 20 0 CBADLP CN1C[C@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)CC1=O ZINC000617768313 356156967 /nfs/dbraw/zinc/15/69/67/356156967.db2.gz YMFUKBRTVNGHFK-GFCCVEGCSA-N 2 2 284.404 -0.536 20 0 CBADLP CN1C[C@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)CC1=O ZINC000617768313 356156973 /nfs/dbraw/zinc/15/69/73/356156973.db2.gz YMFUKBRTVNGHFK-GFCCVEGCSA-N 2 2 284.404 -0.536 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1CCC(=O)N1 ZINC000617766450 356157152 /nfs/dbraw/zinc/15/71/52/356157152.db2.gz KXLSOIASCULLME-NSHDSACASA-N 2 2 270.377 -0.735 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1CCC(=O)N1 ZINC000617766450 356157155 /nfs/dbraw/zinc/15/71/55/356157155.db2.gz KXLSOIASCULLME-NSHDSACASA-N 2 2 270.377 -0.735 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cn1cccn1 ZINC000617768032 356157211 /nfs/dbraw/zinc/15/72/11/356157211.db2.gz MRNKAEOTHWLOPM-UHFFFAOYSA-N 2 2 267.377 -0.117 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cn1cccn1 ZINC000617768032 356157213 /nfs/dbraw/zinc/15/72/13/356157213.db2.gz MRNKAEOTHWLOPM-UHFFFAOYSA-N 2 2 267.377 -0.117 20 0 CBADLP C[N@@H+]1CCO[C@@H](CNc2[nH+]cnc3[nH]cc(C(N)=O)c32)C1 ZINC000621258531 356261273 /nfs/dbraw/zinc/26/12/73/356261273.db2.gz OYKADEVPZISMTA-QMMMGPOBSA-N 2 2 290.327 -0.249 20 0 CBADLP C[N@H+]1CCO[C@@H](CNc2[nH+]cnc3[nH]cc(C(N)=O)c32)C1 ZINC000621258531 356261275 /nfs/dbraw/zinc/26/12/75/356261275.db2.gz OYKADEVPZISMTA-QMMMGPOBSA-N 2 2 290.327 -0.249 20 0 CBADLP CNS(=O)(=O)CC[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000621270338 356262631 /nfs/dbraw/zinc/26/26/31/356262631.db2.gz XXZSFAKHTAZDEU-JTQLQIEISA-N 2 2 272.374 -0.241 20 0 CBADLP CNS(=O)(=O)CC[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000621270338 356262634 /nfs/dbraw/zinc/26/26/34/356262634.db2.gz XXZSFAKHTAZDEU-JTQLQIEISA-N 2 2 272.374 -0.241 20 0 CBADLP CNS(=O)(=O)CC[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000621286298 356265076 /nfs/dbraw/zinc/26/50/76/356265076.db2.gz FMTRNLZVPFTHGY-NSHDSACASA-N 2 2 263.407 -0.048 20 0 CBADLP CNS(=O)(=O)CC[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000621286298 356265079 /nfs/dbraw/zinc/26/50/79/356265079.db2.gz FMTRNLZVPFTHGY-NSHDSACASA-N 2 2 263.407 -0.048 20 0 CBADLP C[C@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)C[C@@H]1CO ZINC000621365051 356273075 /nfs/dbraw/zinc/27/30/75/356273075.db2.gz PNVVMGDMXYMLPP-QWHCGFSZSA-N 2 2 269.389 -0.289 20 0 CBADLP C[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C[C@@H]1CO ZINC000621365051 356273077 /nfs/dbraw/zinc/27/30/77/356273077.db2.gz PNVVMGDMXYMLPP-QWHCGFSZSA-N 2 2 269.389 -0.289 20 0 CBADLP C[N@@H+]1CCN(C(=O)CC[C@@H]2CCC[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000621624748 356278486 /nfs/dbraw/zinc/27/84/86/356278486.db2.gz WASYUAJZYYOIEN-STQMWFEESA-N 3 2 268.405 -0.133 20 0 CBADLP C[N@H+]1CCN(C(=O)CC[C@@H]2CCC[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000621624748 356278490 /nfs/dbraw/zinc/27/84/90/356278490.db2.gz WASYUAJZYYOIEN-STQMWFEESA-N 3 2 268.405 -0.133 20 0 CBADLP [NH3+][C@]12CCC[C@H]1C[N@H+](CCN1C(=O)CCC1=O)C2 ZINC000621779977 356284834 /nfs/dbraw/zinc/28/48/34/356284834.db2.gz LXLMMXXGVQNCQU-GWCFXTLKSA-N 2 2 251.330 -0.051 20 0 CBADLP [NH3+][C@]12CCC[C@H]1C[N@@H+](CCN1C(=O)CCC1=O)C2 ZINC000621779977 356284838 /nfs/dbraw/zinc/28/48/38/356284838.db2.gz LXLMMXXGVQNCQU-GWCFXTLKSA-N 2 2 251.330 -0.051 20 0 CBADLP Cn1cc[nH+]c1CNC(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621843561 356288731 /nfs/dbraw/zinc/28/87/31/356288731.db2.gz HPQGTXKEDQLOOT-YGRLFVJLSA-N 2 2 291.355 -0.624 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000622024068 356300498 /nfs/dbraw/zinc/30/04/98/356300498.db2.gz LASKUSOUWBHWPA-SWLSCSKDSA-N 2 2 294.399 -0.510 20 0 CBADLP CN(Cc1c[nH+]c[nH]1)C(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000622030875 356301976 /nfs/dbraw/zinc/30/19/76/356301976.db2.gz CLZZFCHKZCEZBY-YGRLFVJLSA-N 2 2 291.355 -0.292 20 0 CBADLP CN(Cc1c[nH]c[nH+]1)C(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000622030875 356301980 /nfs/dbraw/zinc/30/19/80/356301980.db2.gz CLZZFCHKZCEZBY-YGRLFVJLSA-N 2 2 291.355 -0.292 20 0 CBADLP CC(=O)N1CC[C@@H]([NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)C1 ZINC000622044624 356302923 /nfs/dbraw/zinc/30/29/23/356302923.db2.gz NAAYGNHFETYVEX-UHTWSYAYSA-N 2 2 255.362 -0.036 20 0 CBADLP C[NH+]1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000622031885 356302931 /nfs/dbraw/zinc/30/29/31/356302931.db2.gz VTCIJPHUOCMNJH-BXUZGUMPSA-N 2 2 280.372 -0.900 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000622631089 356328073 /nfs/dbraw/zinc/32/80/73/356328073.db2.gz FYIOHFDBKPLRPB-LBPRGKRZSA-N 2 2 280.372 -0.074 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000622631089 356328076 /nfs/dbraw/zinc/32/80/76/356328076.db2.gz FYIOHFDBKPLRPB-LBPRGKRZSA-N 2 2 280.372 -0.074 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCC[NH+](CCCO)C2)C1 ZINC000622631170 356329807 /nfs/dbraw/zinc/32/98/07/356329807.db2.gz HXPYPJGMSPLEKD-QWHCGFSZSA-N 2 2 285.388 -0.720 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCC[NH+](CCCO)C2)C1 ZINC000622631170 356329808 /nfs/dbraw/zinc/32/98/08/356329808.db2.gz HXPYPJGMSPLEKD-QWHCGFSZSA-N 2 2 285.388 -0.720 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)N[C@H]2CCC[N@H+](CCCO)C2)C1 ZINC000622631170 356329810 /nfs/dbraw/zinc/32/98/10/356329810.db2.gz HXPYPJGMSPLEKD-QWHCGFSZSA-N 2 2 285.388 -0.720 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)N[C@H]2CCC[N@@H+](CCCO)C2)C1 ZINC000622631170 356329812 /nfs/dbraw/zinc/32/98/12/356329812.db2.gz HXPYPJGMSPLEKD-QWHCGFSZSA-N 2 2 285.388 -0.720 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000622418666 356319712 /nfs/dbraw/zinc/31/97/12/356319712.db2.gz NVTKUXMTBJPDOU-ZDUSSCGKSA-N 2 2 296.371 -0.657 20 0 CBADLP C[C@@H](CC[NH+](C)C)NC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000623720040 356372972 /nfs/dbraw/zinc/37/29/72/356372972.db2.gz SXWZOYSFKOHEJZ-NWDGAFQWSA-N 2 2 272.393 -0.044 20 0 CBADLP C[C@@H](CC[NH+](C)C)NC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000623720040 356372974 /nfs/dbraw/zinc/37/29/74/356372974.db2.gz SXWZOYSFKOHEJZ-NWDGAFQWSA-N 2 2 272.393 -0.044 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000623719416 356373016 /nfs/dbraw/zinc/37/30/16/356373016.db2.gz UFJYTKMRNVSGRF-DGCLKSJQSA-N 2 2 282.388 -0.147 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000623719416 356373018 /nfs/dbraw/zinc/37/30/18/356373018.db2.gz UFJYTKMRNVSGRF-DGCLKSJQSA-N 2 2 282.388 -0.147 20 0 CBADLP C[NH+]1CCOC[C@H]1CNC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000623719416 356373021 /nfs/dbraw/zinc/37/30/21/356373021.db2.gz UFJYTKMRNVSGRF-DGCLKSJQSA-N 2 2 282.388 -0.147 20 0 CBADLP C[NH+]1CCOC[C@H]1CNC(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000623719416 356373022 /nfs/dbraw/zinc/37/30/22/356373022.db2.gz UFJYTKMRNVSGRF-DGCLKSJQSA-N 2 2 282.388 -0.147 20 0 CBADLP C[C@H]1C[NH+](CCCNc2nc(N)[nH+]c(N)n2)C[C@H](C)O1 ZINC000623830816 356377968 /nfs/dbraw/zinc/37/79/68/356377968.db2.gz CQMRQLUMWMTQPB-IUCAKERBSA-N 2 2 281.364 -0.970 20 0 CBADLP C[C@H]1C[NH+](CCCNc2nc(N)nc(N)[nH+]2)C[C@H](C)O1 ZINC000623830816 356377970 /nfs/dbraw/zinc/37/79/70/356377970.db2.gz CQMRQLUMWMTQPB-IUCAKERBSA-N 2 2 281.364 -0.970 20 0 CBADLP Nc1nc(NCCc2cn3c([nH+]2)CCCC3)nc(N)[nH+]1 ZINC000623842748 356378048 /nfs/dbraw/zinc/37/80/48/356378048.db2.gz VQBSMRPLAHJZGN-UHFFFAOYSA-N 2 2 274.332 -0.694 20 0 CBADLP Nc1nc(N)[nH+]c(NCCc2cn3c([nH+]2)CCCC3)n1 ZINC000623842748 356378051 /nfs/dbraw/zinc/37/80/51/356378051.db2.gz VQBSMRPLAHJZGN-UHFFFAOYSA-N 2 2 274.332 -0.694 20 0 CBADLP CN(C)C(=O)N1CCC([NH2+]CC[N@@H+]2CC[C@H](O)C2)CC1 ZINC000623837802 356378366 /nfs/dbraw/zinc/37/83/66/356378366.db2.gz VDFZHAQYJMOHHE-ZDUSSCGKSA-N 2 2 284.404 -0.211 20 0 CBADLP CN(C)C(=O)N1CCC([NH2+]CC[N@H+]2CC[C@H](O)C2)CC1 ZINC000623837802 356378368 /nfs/dbraw/zinc/37/83/68/356378368.db2.gz VDFZHAQYJMOHHE-ZDUSSCGKSA-N 2 2 284.404 -0.211 20 0 CBADLP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)c1nc(N)nc(N)[nH+]1 ZINC000624024287 356390255 /nfs/dbraw/zinc/39/02/55/356390255.db2.gz CENMGEMHCIFOAI-YUMQZZPRSA-N 2 2 251.338 -0.527 20 0 CBADLP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)c1nc(N)nc(N)[nH+]1 ZINC000624024287 356390256 /nfs/dbraw/zinc/39/02/56/356390256.db2.gz CENMGEMHCIFOAI-YUMQZZPRSA-N 2 2 251.338 -0.527 20 0 CBADLP C[C@H]1C[NH+](CCCCNc2nc(N)nc(N)[nH+]2)C[C@H](C)O1 ZINC000624027361 356390283 /nfs/dbraw/zinc/39/02/83/356390283.db2.gz QSVPDMSLKVJNQC-UWVGGRQHSA-N 2 2 295.391 -0.580 20 0 CBADLP C[N@@H+]1CC[C@H]2[C@H](CCCN2c2nc(N)nc(N)[nH+]2)C1 ZINC000624050128 356391932 /nfs/dbraw/zinc/39/19/32/356391932.db2.gz ZLKOPOHPACYNAT-BDAKNGLRSA-N 2 2 263.349 -0.383 20 0 CBADLP C[N@H+]1CC[C@H]2[C@H](CCCN2c2nc(N)nc(N)[nH+]2)C1 ZINC000624050128 356391936 /nfs/dbraw/zinc/39/19/36/356391936.db2.gz ZLKOPOHPACYNAT-BDAKNGLRSA-N 2 2 263.349 -0.383 20 0 CBADLP C[N@@H+]1CCC[C@@H]2CN(c3nc(N)nc(N)[nH+]3)CC[C@H]21 ZINC000624041343 356392733 /nfs/dbraw/zinc/39/27/33/356392733.db2.gz QVLGEOHPLKISNG-RKDXNWHRSA-N 2 2 263.349 -0.383 20 0 CBADLP C[N@H+]1CCC[C@@H]2CN(c3nc(N)nc(N)[nH+]3)CC[C@H]21 ZINC000624041343 356392737 /nfs/dbraw/zinc/39/27/37/356392737.db2.gz QVLGEOHPLKISNG-RKDXNWHRSA-N 2 2 263.349 -0.383 20 0 CBADLP C[C@@H](CC(=O)N(C)C)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000624084905 356395909 /nfs/dbraw/zinc/39/59/09/356395909.db2.gz WYEPARJDJWHEHQ-RYUDHWBXSA-N 2 2 284.404 -0.217 20 0 CBADLP C[C@@H](CC(=O)N(C)C)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000624084905 356395912 /nfs/dbraw/zinc/39/59/12/356395912.db2.gz WYEPARJDJWHEHQ-RYUDHWBXSA-N 2 2 284.404 -0.217 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)NCCn1cc[nH+]c1 ZINC000623705128 356371056 /nfs/dbraw/zinc/37/10/56/356371056.db2.gz GZRCCZPPRSNMFN-LLVKDONJSA-N 2 2 267.333 -0.487 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)NCCn1cc[nH+]c1 ZINC000623705128 356371058 /nfs/dbraw/zinc/37/10/58/356371058.db2.gz GZRCCZPPRSNMFN-LLVKDONJSA-N 2 2 267.333 -0.487 20 0 CBADLP O[C@@H]1CC[N@H+](CCNc2nc(N3CCOCC3)cc[nH+]2)C1 ZINC000624680526 356431745 /nfs/dbraw/zinc/43/17/45/356431745.db2.gz KKZADGCPZBOAJT-GFCCVEGCSA-N 2 2 293.371 -0.208 20 0 CBADLP O[C@@H]1CC[N@@H+](CCNc2nc(N3CCOCC3)cc[nH+]2)C1 ZINC000624680526 356431746 /nfs/dbraw/zinc/43/17/46/356431746.db2.gz KKZADGCPZBOAJT-GFCCVEGCSA-N 2 2 293.371 -0.208 20 0 CBADLP CC(C)(C[NH+]1CCOCC1)Nc1nc(N)[nH+]c(N)n1 ZINC000624279140 356409804 /nfs/dbraw/zinc/40/98/04/356409804.db2.gz HZBBTJWQQKLQPV-UHFFFAOYSA-N 2 2 267.337 -0.781 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CC[NH+]2CCC1CC2 ZINC000624738109 356437489 /nfs/dbraw/zinc/43/74/89/356437489.db2.gz MIFIYUUXNOAIHX-ZDUSSCGKSA-N 2 2 282.388 -0.193 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N1CC[NH+]2CCC1CC2 ZINC000624738109 356437490 /nfs/dbraw/zinc/43/74/90/356437490.db2.gz MIFIYUUXNOAIHX-ZDUSSCGKSA-N 2 2 282.388 -0.193 20 0 CBADLP Cc1[nH+]ccn1CC[N@@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000626076245 356506423 /nfs/dbraw/zinc/50/64/23/356506423.db2.gz IDCFANIOTUMNMO-NSHDSACASA-N 2 2 252.318 -0.232 20 0 CBADLP Cc1[nH+]ccn1CC[N@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000626076245 356506427 /nfs/dbraw/zinc/50/64/27/356506427.db2.gz IDCFANIOTUMNMO-NSHDSACASA-N 2 2 252.318 -0.232 20 0 CBADLP CC(=O)NC[C@H]1CCCC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000626155484 356514380 /nfs/dbraw/zinc/51/43/80/356514380.db2.gz PXPJUFUULCEZDS-CQSZACIVSA-N 2 2 296.415 -0.249 20 0 CBADLP CC(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000626155484 356514384 /nfs/dbraw/zinc/51/43/84/356514384.db2.gz PXPJUFUULCEZDS-CQSZACIVSA-N 2 2 296.415 -0.249 20 0 CBADLP C[C@@H](NC(=O)N[C@@H]1CC[NH2+]C1)[C@@H](C)[NH+]1CCOCC1 ZINC000626970603 356560862 /nfs/dbraw/zinc/56/08/62/356560862.db2.gz QGAKKAJPQSTOMJ-IJLUTSLNSA-N 2 2 270.377 -0.243 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@@H]1CC[NH2+]C1 ZINC000626969752 356560960 /nfs/dbraw/zinc/56/09/60/356560960.db2.gz FNKBVGGELDRDQH-GHMZBOCLSA-N 2 2 256.350 -0.632 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N[C@@H]1CC[NH2+]C1 ZINC000626969752 356560963 /nfs/dbraw/zinc/56/09/63/356560963.db2.gz FNKBVGGELDRDQH-GHMZBOCLSA-N 2 2 256.350 -0.632 20 0 CBADLP C[C@@H]1CC[C@@H](NC(=O)NC[C@@H]2CN(C)CC[N@@H+]2C)C[NH2+]1 ZINC000626974629 356561495 /nfs/dbraw/zinc/56/14/95/356561495.db2.gz JPGIGVNINXNPEN-JHJVBQTASA-N 2 2 283.420 -0.328 20 0 CBADLP C[C@@H]1CC[C@@H](NC(=O)NC[C@@H]2CN(C)CC[N@H+]2C)C[NH2+]1 ZINC000626974629 356561497 /nfs/dbraw/zinc/56/14/97/356561497.db2.gz JPGIGVNINXNPEN-JHJVBQTASA-N 2 2 283.420 -0.328 20 0 CBADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000626970976 356562078 /nfs/dbraw/zinc/56/20/78/356562078.db2.gz XAGPKGAQSAJTNQ-SDDRHHMPSA-N 2 2 270.377 -0.243 20 0 CBADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000626970976 356562082 /nfs/dbraw/zinc/56/20/82/356562082.db2.gz XAGPKGAQSAJTNQ-SDDRHHMPSA-N 2 2 270.377 -0.243 20 0 CBADLP CCn1cc[nH+]c1CNC(=O)NCCOCC[NH2+]C ZINC000627048789 356569979 /nfs/dbraw/zinc/56/99/79/356569979.db2.gz KUYMWRMGHQKHSJ-UHFFFAOYSA-N 2 2 269.349 -0.062 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627127140 356588072 /nfs/dbraw/zinc/58/80/72/356588072.db2.gz TXLOBVRWRHECCP-NWDGAFQWSA-N 2 2 282.388 -0.099 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627127140 356588075 /nfs/dbraw/zinc/58/80/75/356588075.db2.gz TXLOBVRWRHECCP-NWDGAFQWSA-N 2 2 282.388 -0.099 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)NCC1([NH3+])CCOCC1 ZINC000627148114 356588383 /nfs/dbraw/zinc/58/83/83/356588383.db2.gz XWWMWKJAOKTIOI-LLVKDONJSA-N 2 2 286.376 -0.876 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)NCC1([NH3+])CCOCC1 ZINC000627148114 356588387 /nfs/dbraw/zinc/58/83/87/356588387.db2.gz XWWMWKJAOKTIOI-LLVKDONJSA-N 2 2 286.376 -0.876 20 0 CBADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC[NH+]1CCOCC1 ZINC000627169693 356592534 /nfs/dbraw/zinc/59/25/34/356592534.db2.gz OZTRQTYOTSGDHL-NWDGAFQWSA-N 2 2 270.377 -0.242 20 0 CBADLP C[C@@H](CCC[NH3+])NC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000627096356 356582072 /nfs/dbraw/zinc/58/20/72/356582072.db2.gz UHMKTDWFNAYTJG-WDEREUQCSA-N 2 2 258.366 -0.256 20 0 CBADLP C[C@@H](CCC[NH3+])NC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000627096356 356582075 /nfs/dbraw/zinc/58/20/75/356582075.db2.gz UHMKTDWFNAYTJG-WDEREUQCSA-N 2 2 258.366 -0.256 20 0 CBADLP C[C@@H](NC(=O)NC[C@H]1COCC[NH2+]1)c1[nH+]ccn1C ZINC000627116945 356586056 /nfs/dbraw/zinc/58/60/56/356586056.db2.gz BMWWKOGECHWIPV-ZJUUUORDSA-N 2 2 267.333 -0.231 20 0 CBADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627251259 356613911 /nfs/dbraw/zinc/61/39/11/356613911.db2.gz DGPLVFFQVBGDMH-UPJWGTAASA-N 2 2 282.388 -0.147 20 0 CBADLP C[NH2+][C@H]1CCCN(C(=O)NC[C@H]2COCC[N@@H+]2C)C1 ZINC000627183542 356595899 /nfs/dbraw/zinc/59/58/99/356595899.db2.gz LUQMCNKSCMLXIX-RYUDHWBXSA-N 2 2 270.377 -0.290 20 0 CBADLP C[NH2+][C@H]1CCCN(C(=O)NC[C@H]2COCC[N@H+]2C)C1 ZINC000627183542 356595902 /nfs/dbraw/zinc/59/59/02/356595902.db2.gz LUQMCNKSCMLXIX-RYUDHWBXSA-N 2 2 270.377 -0.290 20 0 CBADLP C[C@@H]1CCN(C(=O)NC[C@@H]2COCC[N@@H+]2C)C[C@H]1C[NH3+] ZINC000627182758 356596385 /nfs/dbraw/zinc/59/63/85/356596385.db2.gz KAKRUEXAUMDJBZ-JHJVBQTASA-N 2 2 284.404 -0.057 20 0 CBADLP C[C@@H]1CCN(C(=O)NC[C@@H]2COCC[N@H+]2C)C[C@H]1C[NH3+] ZINC000627182758 356596389 /nfs/dbraw/zinc/59/63/89/356596389.db2.gz KAKRUEXAUMDJBZ-JHJVBQTASA-N 2 2 284.404 -0.057 20 0 CBADLP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000627183716 356596579 /nfs/dbraw/zinc/59/65/79/356596579.db2.gz WYIAFGWEYLXYDL-AXFHLTTASA-N 2 2 256.350 -0.552 20 0 CBADLP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000627183716 356596583 /nfs/dbraw/zinc/59/65/83/356596583.db2.gz WYIAFGWEYLXYDL-AXFHLTTASA-N 2 2 256.350 -0.552 20 0 CBADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000627182712 356596592 /nfs/dbraw/zinc/59/65/92/356596592.db2.gz JMZOVVOOHGSZLB-GARJFASQSA-N 2 2 256.350 -0.633 20 0 CBADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H]1COCC[N@H+]1C ZINC000627182712 356596596 /nfs/dbraw/zinc/59/65/96/356596596.db2.gz JMZOVVOOHGSZLB-GARJFASQSA-N 2 2 256.350 -0.633 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)N1CCC(C)([NH3+])CC1 ZINC000627184367 356597571 /nfs/dbraw/zinc/59/75/71/356597571.db2.gz WFWLHTPZKPBOPZ-LLVKDONJSA-N 2 2 270.377 -0.160 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)N1CCC(C)([NH3+])CC1 ZINC000627184367 356597572 /nfs/dbraw/zinc/59/75/72/356597572.db2.gz WFWLHTPZKPBOPZ-LLVKDONJSA-N 2 2 270.377 -0.160 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000627184019 356597801 /nfs/dbraw/zinc/59/78/01/356597801.db2.gz QNQVPLNMDCGWBJ-STQMWFEESA-N 2 2 282.388 -0.147 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000627184019 356597804 /nfs/dbraw/zinc/59/78/04/356597804.db2.gz QNQVPLNMDCGWBJ-STQMWFEESA-N 2 2 282.388 -0.147 20 0 CBADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@H](CO)C[NH+](C)C)CC2 ZINC000627275772 356618881 /nfs/dbraw/zinc/61/88/81/356618881.db2.gz QUOWTUVICKPJHD-NEPJUHHUSA-N 2 2 280.372 -0.207 20 0 CBADLP O=C(NCCn1cc[nH+]c1)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627300148 356622700 /nfs/dbraw/zinc/62/27/00/356622700.db2.gz QPLXHOCCLYXEKK-LLVKDONJSA-N 2 2 291.355 -0.600 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N2CCC([NH+]3CCOCC3)CC2)C1 ZINC000628124947 356687315 /nfs/dbraw/zinc/68/73/15/356687315.db2.gz DBYYQFCUNWGQGD-CQSZACIVSA-N 2 2 297.399 -0.360 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N2CCC([NH+]3CCOCC3)CC2)C1 ZINC000628124947 356687320 /nfs/dbraw/zinc/68/73/20/356687320.db2.gz DBYYQFCUNWGQGD-CQSZACIVSA-N 2 2 297.399 -0.360 20 0 CBADLP Cc1noc([C@@H]2CC[N@@H+](CC(=O)N3CC[NH+](C)CC3)C2)n1 ZINC000329030991 202160805 /nfs/dbraw/zinc/16/08/05/202160805.db2.gz LGRUERQHMOERJD-GFCCVEGCSA-N 2 2 293.371 -0.059 20 0 CBADLP Cc1noc([C@@H]2CC[N@H+](CC(=O)N3CC[NH+](C)CC3)C2)n1 ZINC000329030991 202160810 /nfs/dbraw/zinc/16/08/10/202160810.db2.gz LGRUERQHMOERJD-GFCCVEGCSA-N 2 2 293.371 -0.059 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC000628915468 356738504 /nfs/dbraw/zinc/73/85/04/356738504.db2.gz BVJKPWPYCNCCCT-NSHDSACASA-N 2 2 252.318 -0.280 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC000628915468 356738506 /nfs/dbraw/zinc/73/85/06/356738506.db2.gz BVJKPWPYCNCCCT-NSHDSACASA-N 2 2 252.318 -0.280 20 0 CBADLP C[C@H](C(=O)NC[C@@H]1COCC[N@@H+]1C)N1CC[NH+](C)CC1 ZINC000628919072 356740779 /nfs/dbraw/zinc/74/07/79/356740779.db2.gz RVSQBUXJJIPFJG-CHWSQXEVSA-N 2 2 284.404 -0.931 20 0 CBADLP C[C@H](C(=O)NC[C@@H]1COCC[N@H+]1C)N1CC[NH+](C)CC1 ZINC000628919072 356740782 /nfs/dbraw/zinc/74/07/82/356740782.db2.gz RVSQBUXJJIPFJG-CHWSQXEVSA-N 2 2 284.404 -0.931 20 0 CBADLP [NH3+]CC1(O)CC[NH+](CCS(=O)(=O)c2ccccn2)CC1 ZINC000629542358 356777341 /nfs/dbraw/zinc/77/73/41/356777341.db2.gz FBXICWGHIOGQCA-UHFFFAOYSA-N 2 2 299.396 -0.359 20 0 CBADLP O=C(NCC[N@H+]1CC[C@@H](O)C1)[C@H]1CCc2c[nH+]cn2C1 ZINC000629168617 356749971 /nfs/dbraw/zinc/74/99/71/356749971.db2.gz LAVCEKVZLGUQQN-WCQYABFASA-N 2 2 278.356 -0.372 20 0 CBADLP O=C(NCC[N@@H+]1CC[C@@H](O)C1)[C@H]1CCc2c[nH+]cn2C1 ZINC000629168617 356749974 /nfs/dbraw/zinc/74/99/74/356749974.db2.gz LAVCEKVZLGUQQN-WCQYABFASA-N 2 2 278.356 -0.372 20 0 CBADLP O=C(CCn1cc[nH+]c1)NCC[N@H+]1CC[C@@H](O)C1 ZINC000629175028 356753602 /nfs/dbraw/zinc/75/36/02/356753602.db2.gz QYTSFZFHNIEIOY-LLVKDONJSA-N 2 2 252.318 -0.544 20 0 CBADLP O=C(CCn1cc[nH+]c1)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000629175028 356753604 /nfs/dbraw/zinc/75/36/04/356753604.db2.gz QYTSFZFHNIEIOY-LLVKDONJSA-N 2 2 252.318 -0.544 20 0 CBADLP C[NH2+]CCOCC[N@H+](C)Cc1nc(N(C)C)no1 ZINC000629572317 356780729 /nfs/dbraw/zinc/78/07/29/356780729.db2.gz QHLYVAPHLXUHPF-UHFFFAOYSA-N 2 2 257.338 -0.197 20 0 CBADLP C[NH2+]CCOCC[N@@H+](C)Cc1nc(N(C)C)no1 ZINC000629572317 356780733 /nfs/dbraw/zinc/78/07/33/356780733.db2.gz QHLYVAPHLXUHPF-UHFFFAOYSA-N 2 2 257.338 -0.197 20 0 CBADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000629512978 356775728 /nfs/dbraw/zinc/77/57/28/356775728.db2.gz GTMKYGCRGUUTSN-RDBSUJKOSA-N 3 2 298.431 -0.317 20 0 CBADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000629512978 356775732 /nfs/dbraw/zinc/77/57/32/356775732.db2.gz GTMKYGCRGUUTSN-RDBSUJKOSA-N 3 2 298.431 -0.317 20 0 CBADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCCN1CCC[C@H]1C(N)=O ZINC000629512978 356775733 /nfs/dbraw/zinc/77/57/33/356775733.db2.gz GTMKYGCRGUUTSN-RDBSUJKOSA-N 2 2 298.431 -0.317 20 0 CBADLP C[C@]1(C[NH+]2CCN(c3nccnn3)CC2)CC[NH2+]C1 ZINC000629649475 356789094 /nfs/dbraw/zinc/78/90/94/356789094.db2.gz BZIVQUFJPDPHFI-ZDUSSCGKSA-N 2 2 262.361 -0.007 20 0 CBADLP CNS(=O)(=O)C[C@@H]1CCC[N@H+](CC(C)(C)[NH3+])C1 ZINC000629674031 356789304 /nfs/dbraw/zinc/78/93/04/356789304.db2.gz WBPRIKWOTSKIBZ-SNVBAGLBSA-N 2 2 263.407 -0.015 20 0 CBADLP CNS(=O)(=O)C[C@@H]1CCC[N@@H+](CC(C)(C)[NH3+])C1 ZINC000629674031 356789309 /nfs/dbraw/zinc/78/93/09/356789309.db2.gz WBPRIKWOTSKIBZ-SNVBAGLBSA-N 2 2 263.407 -0.015 20 0 CBADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000629812651 356798054 /nfs/dbraw/zinc/79/80/54/356798054.db2.gz RIVDKWGDUUCLNX-LBPRGKRZSA-N 2 2 282.388 -0.783 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2C(C)C)CC1 ZINC000629811052 356798060 /nfs/dbraw/zinc/79/80/60/356798060.db2.gz GANYIFITYHVFDZ-CYBMUJFWSA-N 2 2 296.415 -0.393 20 0 CBADLP C[C@@H]1CN(C(=O)C[NH+](C)C2CCC2)CC[N@@H+]1CCO ZINC000629980968 356813192 /nfs/dbraw/zinc/81/31/92/356813192.db2.gz CHDPGZRZXCLTKR-GFCCVEGCSA-N 2 2 269.389 -0.004 20 0 CBADLP C[C@@H]1CN(C(=O)C[NH+](C)C2CCC2)CC[N@H+]1CCO ZINC000629980968 356813195 /nfs/dbraw/zinc/81/31/95/356813195.db2.gz CHDPGZRZXCLTKR-GFCCVEGCSA-N 2 2 269.389 -0.004 20 0 CBADLP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC[NH+]1CCO ZINC000629980968 356813197 /nfs/dbraw/zinc/81/31/97/356813197.db2.gz CHDPGZRZXCLTKR-GFCCVEGCSA-N 2 2 269.389 -0.004 20 0 CBADLP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC[NH+]1CCO ZINC000629980968 356813199 /nfs/dbraw/zinc/81/31/99/356813199.db2.gz CHDPGZRZXCLTKR-GFCCVEGCSA-N 2 2 269.389 -0.004 20 0 CBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C[N@H+](C)C1CCC1 ZINC000629976764 356813433 /nfs/dbraw/zinc/81/34/33/356813433.db2.gz BJRPMELQKMNKAB-AWEZNQCLSA-N 2 2 299.415 -0.378 20 0 CBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C[N@@H+](C)C1CCC1 ZINC000629976764 356813438 /nfs/dbraw/zinc/81/34/38/356813438.db2.gz BJRPMELQKMNKAB-AWEZNQCLSA-N 2 2 299.415 -0.378 20 0 CBADLP CCS(=O)(=O)CCC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000629580359 356782329 /nfs/dbraw/zinc/78/23/29/356782329.db2.gz RLWQRGMYPDQKRA-GFCCVEGCSA-N 2 2 278.418 -0.143 20 0 CBADLP CCN1CC[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)C1=O ZINC000629581391 356782910 /nfs/dbraw/zinc/78/29/10/356782910.db2.gz YYYFCURZOYTNTI-NEPJUHHUSA-N 2 2 255.362 -0.347 20 0 CBADLP C[C@H](c1nnnn1C1CC1)[N@H+](C)CCOCC[NH3+] ZINC000629581017 356783114 /nfs/dbraw/zinc/78/31/14/356783114.db2.gz KBUVOLKNJROKHF-SECBINFHSA-N 2 2 254.338 -0.024 20 0 CBADLP C[C@H](c1nnnn1C1CC1)[N@@H+](C)CCOCC[NH3+] ZINC000629581017 356783117 /nfs/dbraw/zinc/78/31/17/356783117.db2.gz KBUVOLKNJROKHF-SECBINFHSA-N 2 2 254.338 -0.024 20 0 CBADLP OCCN1CCCC[C@@H]1C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000629585036 356784052 /nfs/dbraw/zinc/78/40/52/356784052.db2.gz YKCIRKOJKCHCDY-HUUCEWRRSA-N 2 2 285.432 -0.121 20 0 CBADLP CNS(=O)(=O)CCC[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629585609 356784312 /nfs/dbraw/zinc/78/43/12/356784312.db2.gz YEBYRZNSUAUURV-TXEJJXNPSA-N 2 2 275.418 -0.143 20 0 CBADLP CNS(=O)(=O)CCC[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629585609 356784314 /nfs/dbraw/zinc/78/43/14/356784314.db2.gz YEBYRZNSUAUURV-TXEJJXNPSA-N 2 2 275.418 -0.143 20 0 CBADLP CNS(=O)(=O)C[C@H]1CCC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000629595771 356784573 /nfs/dbraw/zinc/78/45/73/356784573.db2.gz XDJSDCQVGMODFG-RYUDHWBXSA-N 2 2 291.417 -0.764 20 0 CBADLP CNS(=O)(=O)C[C@H]1CCC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000629595771 356784576 /nfs/dbraw/zinc/78/45/76/356784576.db2.gz XDJSDCQVGMODFG-RYUDHWBXSA-N 2 2 291.417 -0.764 20 0 CBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]([NH3+])C1CCC1 ZINC000629606631 356786014 /nfs/dbraw/zinc/78/60/14/356786014.db2.gz KFWUJUMXSNFDOL-STQMWFEESA-N 2 2 285.388 -0.735 20 0 CBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CC(F)(F)C[NH3+] ZINC000629607734 356786901 /nfs/dbraw/zinc/78/69/01/356786901.db2.gz YDMMUWNMQFKENX-JTQLQIEISA-N 2 2 295.330 -0.878 20 0 CBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C[C@H]1CCC[NH2+]1 ZINC000629607552 356786915 /nfs/dbraw/zinc/78/69/15/356786915.db2.gz WFTMUBPAEFGNEL-OLZOCXBDSA-N 2 2 285.388 -0.720 20 0 CBADLP CCC[NH2+][C@H](C)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000629607905 356787016 /nfs/dbraw/zinc/78/70/16/356787016.db2.gz RUJBSCOHDPMGCF-OLZOCXBDSA-N 2 2 287.404 -0.474 20 0 CBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@]1(C)CC[NH2+]C1 ZINC000629607528 356787231 /nfs/dbraw/zinc/78/72/31/356787231.db2.gz VRWRMHQMRQPHTC-JSGCOSHPSA-N 2 2 285.388 -0.863 20 0 CBADLP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NCC[NH+]1CCOCC1 ZINC000631000649 356872228 /nfs/dbraw/zinc/87/22/28/356872228.db2.gz HZNUYVDCXVGZDN-GHMZBOCLSA-N 2 2 256.350 -0.550 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+]Cc2ccc(=O)[nH]c2)CC1 ZINC000631054389 356873197 /nfs/dbraw/zinc/87/31/97/356873197.db2.gz OBGOZVFGHNIOBC-UHFFFAOYSA-N 2 2 264.329 -0.349 20 0 CBADLP CNS(=O)(=O)CCC[NH2+][C@H]1CC[N@H+](CCOC)C1 ZINC000631229375 356878120 /nfs/dbraw/zinc/87/81/20/356878120.db2.gz KXOBGRYNKDTBBL-NSHDSACASA-N 2 2 279.406 -0.764 20 0 CBADLP CNS(=O)(=O)CCC[NH2+][C@H]1CC[N@@H+](CCOC)C1 ZINC000631229375 356878123 /nfs/dbraw/zinc/87/81/23/356878123.db2.gz KXOBGRYNKDTBBL-NSHDSACASA-N 2 2 279.406 -0.764 20 0 CBADLP CO[C@@H]1C[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)[C@](C)(C[NH3+])C1 ZINC000630365419 356838718 /nfs/dbraw/zinc/83/87/18/356838718.db2.gz HVRABPORTCOKDV-AGIUHOORSA-N 3 2 269.389 -0.055 20 0 CBADLP CO[C@@H]1C[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)[C@](C)(C[NH3+])C1 ZINC000630365419 356838721 /nfs/dbraw/zinc/83/87/21/356838721.db2.gz HVRABPORTCOKDV-AGIUHOORSA-N 3 2 269.389 -0.055 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)NCCCn1cc[nH+]c1 ZINC000630397408 356842911 /nfs/dbraw/zinc/84/29/11/356842911.db2.gz XPFTVWJXBIZEIP-GFCCVEGCSA-N 2 2 281.360 -0.097 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)NCCCn1cc[nH+]c1 ZINC000630397408 356842915 /nfs/dbraw/zinc/84/29/15/356842915.db2.gz XPFTVWJXBIZEIP-GFCCVEGCSA-N 2 2 281.360 -0.097 20 0 CBADLP CN(C)C(=O)c1cn(CC[N@H+](C)CCC[NH+](C)C)nn1 ZINC000630612646 356855455 /nfs/dbraw/zinc/85/54/55/356855455.db2.gz XOAMTMDCAISBCW-UHFFFAOYSA-N 2 2 282.392 -0.137 20 0 CBADLP CN(C)C(=O)c1cn(CC[N@@H+](C)CCC[NH+](C)C)nn1 ZINC000630612646 356855458 /nfs/dbraw/zinc/85/54/58/356855458.db2.gz XOAMTMDCAISBCW-UHFFFAOYSA-N 2 2 282.392 -0.137 20 0 CBADLP C[N@H+](CCN1CC[NH2+]CC1)CC(=O)Nc1ccccn1 ZINC000631822269 356908642 /nfs/dbraw/zinc/90/86/42/356908642.db2.gz YGXYLSPJLXIJLX-UHFFFAOYSA-N 2 2 277.372 -0.143 20 0 CBADLP C[N@@H+](CCN1CC[NH2+]CC1)CC(=O)Nc1ccccn1 ZINC000631822269 356908645 /nfs/dbraw/zinc/90/86/45/356908645.db2.gz YGXYLSPJLXIJLX-UHFFFAOYSA-N 2 2 277.372 -0.143 20 0 CBADLP CCCn1nccc1NC(=O)C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000631829767 356909485 /nfs/dbraw/zinc/90/94/85/356909485.db2.gz YZZXOUQVDYZEPA-UHFFFAOYSA-N 2 2 295.387 -0.064 20 0 CBADLP CC(=O)N1CCN(C(=O)C[N@@H+]2CCCCC[C@H]([NH3+])C2)CC1 ZINC000631832118 356909928 /nfs/dbraw/zinc/90/99/28/356909928.db2.gz ZBMIBUGXWYBUHX-AWEZNQCLSA-N 2 2 296.415 -0.120 20 0 CBADLP CC(=O)N1CCN(C(=O)C[N@H+]2CCCCC[C@H]([NH3+])C2)CC1 ZINC000631832118 356909932 /nfs/dbraw/zinc/90/99/32/356909932.db2.gz ZBMIBUGXWYBUHX-AWEZNQCLSA-N 2 2 296.415 -0.120 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631844593 356912370 /nfs/dbraw/zinc/91/23/70/356912370.db2.gz YPNPGKBCEZICFJ-VXGBXAGGSA-N 2 2 284.404 -0.502 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631844593 356912372 /nfs/dbraw/zinc/91/23/72/356912372.db2.gz YPNPGKBCEZICFJ-VXGBXAGGSA-N 2 2 284.404 -0.502 20 0 CBADLP CN1CCC[C@@H]([NH+]2CCC([NH2+]CCO)CC2)C1=O ZINC000631861836 356913647 /nfs/dbraw/zinc/91/36/47/356913647.db2.gz BFVRFHWFXHNPFU-GFCCVEGCSA-N 2 2 255.362 -0.347 20 0 CBADLP CC1(C)NC(=O)N(CC[NH+]2CCC([NH2+]CCO)CC2)C1=O ZINC000631863759 356913675 /nfs/dbraw/zinc/91/36/75/356913675.db2.gz FBUFQSOJAIZUNT-UHFFFAOYSA-N 2 2 298.387 -0.637 20 0 CBADLP CCS(=O)(=O)NCCC[NH+]1CCC([NH2+]CCO)CC1 ZINC000631861999 356913705 /nfs/dbraw/zinc/91/37/05/356913705.db2.gz CSCCIVGOQWCSMW-UHFFFAOYSA-N 2 2 293.433 -0.638 20 0 CBADLP CNC(=O)NC[C@@H]1COCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000631872856 356915309 /nfs/dbraw/zinc/91/53/09/356915309.db2.gz HGYFCPPFIXYNBN-VXGBXAGGSA-N 2 2 298.387 -0.863 20 0 CBADLP CNC(=O)NC[C@@H]1COCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000631872856 356915311 /nfs/dbraw/zinc/91/53/11/356915311.db2.gz HGYFCPPFIXYNBN-VXGBXAGGSA-N 2 2 298.387 -0.863 20 0 CBADLP CS(=O)(=O)NCC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631885857 356915960 /nfs/dbraw/zinc/91/59/60/356915960.db2.gz BUWQJDPVVMSLEQ-MNOVXSKESA-N 2 2 261.391 -0.391 20 0 CBADLP CS(=O)(=O)NCC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631885857 356915964 /nfs/dbraw/zinc/91/59/64/356915964.db2.gz BUWQJDPVVMSLEQ-MNOVXSKESA-N 2 2 261.391 -0.391 20 0 CBADLP C[C@H](NC(=O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)C(=O)N(C)C ZINC000631888688 356916183 /nfs/dbraw/zinc/91/61/83/356916183.db2.gz YXTPJVBYAQXCMR-YNEHKIRRSA-N 2 2 296.415 -0.347 20 0 CBADLP C[C@H](NC(=O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)C(=O)N(C)C ZINC000631888688 356916184 /nfs/dbraw/zinc/91/61/84/356916184.db2.gz YXTPJVBYAQXCMR-YNEHKIRRSA-N 2 2 296.415 -0.347 20 0 CBADLP CS(=O)(=O)NCC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631885858 356916431 /nfs/dbraw/zinc/91/64/31/356916431.db2.gz BUWQJDPVVMSLEQ-QWRGUYRKSA-N 2 2 261.391 -0.391 20 0 CBADLP CS(=O)(=O)NCC[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631885858 356916434 /nfs/dbraw/zinc/91/64/34/356916434.db2.gz BUWQJDPVVMSLEQ-QWRGUYRKSA-N 2 2 261.391 -0.391 20 0 CBADLP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1ncc[nH]1 ZINC000631897800 356917481 /nfs/dbraw/zinc/91/74/81/356917481.db2.gz PQONZVQRVKDQBE-UHFFFAOYSA-N 2 2 289.405 -0.476 20 0 CBADLP C[NH+](C)C1CN(S(=O)(=O)CC2([NH+](C)C)CC2)C1 ZINC000632181152 356957642 /nfs/dbraw/zinc/95/76/42/356957642.db2.gz COXHENZBKVVYKA-UHFFFAOYSA-N 2 2 261.391 -0.344 20 0 CBADLP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000633101149 357045374 /nfs/dbraw/zinc/04/53/74/357045374.db2.gz AJVMIZIXKDHZHG-VHSXEESVSA-N 2 2 279.344 -0.423 20 0 CBADLP CC(C)[C@H]1CN(C(=O)C(=O)N(C)Cc2[nH]cc[nH+]2)CC[NH2+]1 ZINC000633104672 357046203 /nfs/dbraw/zinc/04/62/03/357046203.db2.gz HIDILUTUSRWOHQ-LLVKDONJSA-N 2 2 293.371 -0.176 20 0 CBADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000633103242 357046382 /nfs/dbraw/zinc/04/63/82/357046382.db2.gz PGNWGTAQKUTILC-UHFFFAOYSA-N 2 2 281.360 -0.189 20 0 CBADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000633104312 357046401 /nfs/dbraw/zinc/04/64/01/357046401.db2.gz AEIZOTREFSIAGD-GHMZBOCLSA-N 2 2 291.355 -0.422 20 0 CBADLP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N(C)Cc1[nH+]ccn1C ZINC000633114648 357048906 /nfs/dbraw/zinc/04/89/06/357048906.db2.gz DNZCXDFLIBFDRD-VHSXEESVSA-N 2 2 279.344 -0.673 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2C[C@H]([NH3+])C[C@@H]2C)CC1 ZINC000633116151 357049724 /nfs/dbraw/zinc/04/97/24/357049724.db2.gz PNOVWNVXZIHWNS-WDEREUQCSA-N 2 2 268.361 -0.901 20 0 CBADLP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000633137956 357051509 /nfs/dbraw/zinc/05/15/09/357051509.db2.gz AKHZEDJOVUVMTI-VXGBXAGGSA-N 2 2 293.371 -0.320 20 0 CBADLP CC[NH+](CC)CCS(=O)(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000632577992 357005310 /nfs/dbraw/zinc/00/53/10/357005310.db2.gz KMPAOBQZLVFOIT-GFCCVEGCSA-N 2 2 293.433 -0.734 20 0 CBADLP CC[NH+](CC)CCS(=O)(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000632577992 357005314 /nfs/dbraw/zinc/00/53/14/357005314.db2.gz KMPAOBQZLVFOIT-GFCCVEGCSA-N 2 2 293.433 -0.734 20 0 CBADLP CC[NH2+]CCCNC(=O)N(C)CC[NH+]1CCOCC1 ZINC000634094078 357104475 /nfs/dbraw/zinc/10/44/75/357104475.db2.gz AIRKLTUSOAZWCU-UHFFFAOYSA-N 2 2 272.393 -0.040 20 0 CBADLP C[N@@H+]1CCN(C(=O)NC[C@@H]2CCCC[NH2+]2)[C@H](C[NH3+])C1 ZINC000634272319 357113649 /nfs/dbraw/zinc/11/36/49/357113649.db2.gz ZWBFMWPLPQGJHQ-NWDGAFQWSA-N 3 2 269.393 -0.587 20 0 CBADLP C[N@H+]1CCN(C(=O)NC[C@@H]2CCCC[NH2+]2)[C@H](C[NH3+])C1 ZINC000634272319 357113652 /nfs/dbraw/zinc/11/36/52/357113652.db2.gz ZWBFMWPLPQGJHQ-NWDGAFQWSA-N 3 2 269.393 -0.587 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)N(C)C[C@H]2C[NH+](C)CCO2)C1 ZINC000633922827 357096036 /nfs/dbraw/zinc/09/60/36/357096036.db2.gz FDLYPENLQVOIFA-OLZOCXBDSA-N 2 2 285.388 -0.504 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)N(C)C[C@H]2C[NH+](C)CCO2)C1 ZINC000633922827 357096039 /nfs/dbraw/zinc/09/60/39/357096039.db2.gz FDLYPENLQVOIFA-OLZOCXBDSA-N 2 2 285.388 -0.504 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)N(C)C[C@H]2C[N@H+](C)CCO2)C1 ZINC000633922827 357096043 /nfs/dbraw/zinc/09/60/43/357096043.db2.gz FDLYPENLQVOIFA-OLZOCXBDSA-N 2 2 285.388 -0.504 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)N(C)C[C@H]2C[N@@H+](C)CCO2)C1 ZINC000633922827 357096045 /nfs/dbraw/zinc/09/60/45/357096045.db2.gz FDLYPENLQVOIFA-OLZOCXBDSA-N 2 2 285.388 -0.504 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634768699 357134241 /nfs/dbraw/zinc/13/42/41/357134241.db2.gz UUYNNMCTNPARKR-DOMZBBRYSA-N 2 2 296.415 -0.299 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634768699 357134243 /nfs/dbraw/zinc/13/42/43/357134243.db2.gz UUYNNMCTNPARKR-DOMZBBRYSA-N 2 2 296.415 -0.299 20 0 CBADLP c1nc(N2CCOCC2)cc(N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[nH+]1 ZINC000634810400 357138672 /nfs/dbraw/zinc/13/86/72/357138672.db2.gz WKMKLRDPQZLHGQ-IWIIMEHWSA-N 2 2 261.329 -0.057 20 0 CBADLP c1nc(N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc(N2CCOCC2)[nH+]1 ZINC000634810400 357138674 /nfs/dbraw/zinc/13/86/74/357138674.db2.gz WKMKLRDPQZLHGQ-IWIIMEHWSA-N 2 2 261.329 -0.057 20 0 CBADLP CC(C)(CNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)[NH+]1CCOCC1 ZINC000635526404 357173126 /nfs/dbraw/zinc/17/31/26/357173126.db2.gz JLFNUPSPLWSDOL-RYUDHWBXSA-N 2 2 282.388 -0.147 20 0 CBADLP CC(C)(C[NH+]1CCOCC1)C(=O)N1CC[NH+](CCO)CC1 ZINC000635249847 357154235 /nfs/dbraw/zinc/15/42/35/357154235.db2.gz ZTFRQQYHLGWOLC-UHFFFAOYSA-N 2 2 299.415 -0.519 20 0 CBADLP NC(=O)[C@H](CO)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634720485 357129409 /nfs/dbraw/zinc/12/94/09/357129409.db2.gz KPISJJQRZJSBCE-DZGCQCFKSA-N 2 2 293.367 -0.941 20 0 CBADLP NC(=O)[C@H](CO)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634720485 357129410 /nfs/dbraw/zinc/12/94/10/357129410.db2.gz KPISJJQRZJSBCE-DZGCQCFKSA-N 2 2 293.367 -0.941 20 0 CBADLP CN1CCCC[C@H]([N@H+](C)CC(=O)N2CC[NH+](C)CC2)C1=O ZINC000634738631 357130802 /nfs/dbraw/zinc/13/08/02/357130802.db2.gz VLHKHIHGJLPIAV-ZDUSSCGKSA-N 2 2 296.415 -0.297 20 0 CBADLP CN1CCCC[C@H]([N@@H+](C)CC(=O)N2CC[NH+](C)CC2)C1=O ZINC000634738631 357130804 /nfs/dbraw/zinc/13/08/04/357130804.db2.gz VLHKHIHGJLPIAV-ZDUSSCGKSA-N 2 2 296.415 -0.297 20 0 CBADLP C[C@H](C(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1)[NH+](C)C ZINC000635685832 357191831 /nfs/dbraw/zinc/19/18/31/357191831.db2.gz RLPHDSKVTXGSKS-KGLIPLIRSA-N 2 2 299.415 -0.114 20 0 CBADLP C[N@@H+]1CC[C@@H](CC(=O)N(CCO)CC[NH+]2CCOCC2)C1 ZINC000635713793 357195911 /nfs/dbraw/zinc/19/59/11/357195911.db2.gz KTLQZEBNIJVRPD-AWEZNQCLSA-N 2 2 299.415 -0.519 20 0 CBADLP C[N@H+]1CC[C@@H](CC(=O)N(CCO)CC[NH+]2CCOCC2)C1 ZINC000635713793 357195914 /nfs/dbraw/zinc/19/59/14/357195914.db2.gz KTLQZEBNIJVRPD-AWEZNQCLSA-N 2 2 299.415 -0.519 20 0 CBADLP C[C@H](C(=O)N1CC[NH+](C(C)(C)CO)CC1)[NH+](C)C ZINC000635740161 357198397 /nfs/dbraw/zinc/19/83/97/357198397.db2.gz JCKZQMBHDHKHLR-LLVKDONJSA-N 2 2 257.378 -0.148 20 0 CBADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)[C@@H](C)[NH+](C)C)[C@@H](C)C1 ZINC000635818040 357212781 /nfs/dbraw/zinc/21/27/81/357212781.db2.gz ACWPNCDPNMHYPO-QJPTWQEYSA-N 2 2 257.378 -0.150 20 0 CBADLP C[C@@H](O)C[N@H+]1CCN(C(=O)[C@@H](C)[NH+](C)C)[C@@H](C)C1 ZINC000635818040 357212783 /nfs/dbraw/zinc/21/27/83/357212783.db2.gz ACWPNCDPNMHYPO-QJPTWQEYSA-N 2 2 257.378 -0.150 20 0 CBADLP C[C@H]1C[N@H+](C)C[C@@H](C(=O)N2CC[NH+](CCO)C(C)(C)C2)O1 ZINC000635831921 357214645 /nfs/dbraw/zinc/21/46/45/357214645.db2.gz OATSCJANFFHUEX-STQMWFEESA-N 2 2 299.415 -0.379 20 0 CBADLP C[C@H]1C[N@@H+](C)C[C@@H](C(=O)N2CC[NH+](CCO)C(C)(C)C2)O1 ZINC000635831921 357214649 /nfs/dbraw/zinc/21/46/49/357214649.db2.gz OATSCJANFFHUEX-STQMWFEESA-N 2 2 299.415 -0.379 20 0 CBADLP C[C@H]1C[NH+](C)C[C@@H](C(=O)N2CC[N@H+](CCO)C(C)(C)C2)O1 ZINC000635831921 357214652 /nfs/dbraw/zinc/21/46/52/357214652.db2.gz OATSCJANFFHUEX-STQMWFEESA-N 2 2 299.415 -0.379 20 0 CBADLP C[C@H]1C[NH+](C)C[C@@H](C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)O1 ZINC000635831921 357214654 /nfs/dbraw/zinc/21/46/54/357214654.db2.gz OATSCJANFFHUEX-STQMWFEESA-N 2 2 299.415 -0.379 20 0 CBADLP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2CN3CC[NH+]2CCC3)C1 ZINC000635900879 357228532 /nfs/dbraw/zinc/22/85/32/357228532.db2.gz YOLDYDSPPXVUOH-UONOGXRCSA-N 2 2 280.416 -0.166 20 0 CBADLP C[N@H+]1CC[C@@H](CC(=O)NC[C@@H]2CN3CC[NH+]2CCC3)C1 ZINC000635900879 357228537 /nfs/dbraw/zinc/22/85/37/357228537.db2.gz YOLDYDSPPXVUOH-UONOGXRCSA-N 2 2 280.416 -0.166 20 0 CBADLP C[NH+]1CC[C@@H](CC(=O)NC[C@@H]2CN3CC[N@@H+]2CCC3)C1 ZINC000635900879 357228539 /nfs/dbraw/zinc/22/85/39/357228539.db2.gz YOLDYDSPPXVUOH-UONOGXRCSA-N 2 2 280.416 -0.166 20 0 CBADLP C[NH+]1CC[C@@H](CC(=O)NC[C@@H]2CN3CC[N@H+]2CCC3)C1 ZINC000635900879 357228543 /nfs/dbraw/zinc/22/85/43/357228543.db2.gz YOLDYDSPPXVUOH-UONOGXRCSA-N 2 2 280.416 -0.166 20 0 CBADLP C[NH+](C)[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@@H]1O ZINC000635947939 357238369 /nfs/dbraw/zinc/23/83/69/357238369.db2.gz FYQSYPCVBSHZAL-LSKIRQOJSA-N 2 2 264.329 -0.354 20 0 CBADLP C[NH+](C)[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@@H]1O ZINC000635947939 357238372 /nfs/dbraw/zinc/23/83/72/357238372.db2.gz FYQSYPCVBSHZAL-LSKIRQOJSA-N 2 2 264.329 -0.354 20 0 CBADLP O=C(NCCC[NH+]1CCOCC1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000636447683 357285840 /nfs/dbraw/zinc/28/58/40/357285840.db2.gz GYEILXFORQOBPD-GFCCVEGCSA-N 2 2 293.371 -0.171 20 0 CBADLP C[C@H](CNC(=O)C(=O)N(C)Cc1[nH]cc[nH+]1)[N@H+](C)C1CC1 ZINC000636660947 357295728 /nfs/dbraw/zinc/29/57/28/357295728.db2.gz BRUVOCQWZNPQQA-SNVBAGLBSA-N 2 2 293.371 -0.033 20 0 CBADLP C[C@H](CNC(=O)C(=O)N(C)Cc1[nH]cc[nH+]1)[N@@H+](C)C1CC1 ZINC000636660947 357295734 /nfs/dbraw/zinc/29/57/34/357295734.db2.gz BRUVOCQWZNPQQA-SNVBAGLBSA-N 2 2 293.371 -0.033 20 0 CBADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C(N)=O)CC2)CC1 ZINC000636052377 357256486 /nfs/dbraw/zinc/25/64/86/357256486.db2.gz JIPABLPVVHZTHI-UHFFFAOYSA-N 2 2 282.388 -0.510 20 0 CBADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C(N)=O)CC2)CC1 ZINC000636052377 357256491 /nfs/dbraw/zinc/25/64/91/357256491.db2.gz JIPABLPVVHZTHI-UHFFFAOYSA-N 2 2 282.388 -0.510 20 0 CBADLP CCc1c[nH]c(CC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)[nH+]1 ZINC000636126357 357266107 /nfs/dbraw/zinc/26/61/07/357266107.db2.gz ZOVMANKPYBDTKF-GFCCVEGCSA-N 2 2 278.356 -0.208 20 0 CBADLP CCc1c[nH]c(CC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)[nH+]1 ZINC000636126357 357266111 /nfs/dbraw/zinc/26/61/11/357266111.db2.gz ZOVMANKPYBDTKF-GFCCVEGCSA-N 2 2 278.356 -0.208 20 0 CBADLP C[NH+](C)CC1(C(=O)NC[C@H]2COCC[N@@H+]2C)CC1 ZINC000636279888 357276242 /nfs/dbraw/zinc/27/62/42/357276242.db2.gz ZWYGYMUFWAOBOG-NSHDSACASA-N 2 2 255.362 -0.225 20 0 CBADLP C[NH+](C)CC1(C(=O)NC[C@H]2COCC[N@H+]2C)CC1 ZINC000636279888 357276244 /nfs/dbraw/zinc/27/62/44/357276244.db2.gz ZWYGYMUFWAOBOG-NSHDSACASA-N 2 2 255.362 -0.225 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000636279494 357276643 /nfs/dbraw/zinc/27/66/43/357276643.db2.gz RYFSTXMVCYIPFG-CYBMUJFWSA-N 2 2 299.415 -0.208 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000636279494 357276645 /nfs/dbraw/zinc/27/66/45/357276645.db2.gz RYFSTXMVCYIPFG-CYBMUJFWSA-N 2 2 299.415 -0.208 20 0 CBADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)NCCN1CC[NH2+]CC1)CC2 ZINC000637811926 357369787 /nfs/dbraw/zinc/36/97/87/357369787.db2.gz SSERUTVNMRMJOL-ZDUSSCGKSA-N 2 2 291.399 -0.225 20 0 CBADLP C[C@H](C(=O)N1CCCC[C@@H]1C[NH3+])N1CC[NH2+]CC1=O ZINC000637817377 357370566 /nfs/dbraw/zinc/37/05/66/357370566.db2.gz VICVZMGEPBRRNF-GHMZBOCLSA-N 2 2 268.361 -0.854 20 0 CBADLP C[C@H](C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1)N1CC[NH2+]CC1=O ZINC000637819382 357370722 /nfs/dbraw/zinc/37/07/22/357370722.db2.gz IOGLBRSLMGIPHQ-TUAOUCFPSA-N 2 2 282.388 -0.689 20 0 CBADLP C[NH+](C)C[C@@H]1CN(Cc2c[nH+]c(N)nc2N)CCO1 ZINC000637819636 357370760 /nfs/dbraw/zinc/37/07/60/357370760.db2.gz JSVGVPOKDOFDKS-SNVBAGLBSA-N 2 2 266.349 -0.936 20 0 CBADLP C[C@@H]([NH3+])C1CCN(C(=O)[C@H](C)N2CC[NH2+]CC2=O)CC1 ZINC000637827899 357372700 /nfs/dbraw/zinc/37/27/00/357372700.db2.gz BUDGRQNJJSUHOM-MNOVXSKESA-N 2 2 282.388 -0.608 20 0 CBADLP CC[C@H](NC(C)=O)C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000637864102 357378139 /nfs/dbraw/zinc/37/81/39/357378139.db2.gz MFCNEZJSJPOQDW-MNOVXSKESA-N 2 2 256.350 -0.998 20 0 CBADLP CC[C@H](NC(C)=O)C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000637864102 357378141 /nfs/dbraw/zinc/37/81/41/357378141.db2.gz MFCNEZJSJPOQDW-MNOVXSKESA-N 2 2 256.350 -0.998 20 0 CBADLP C[NH2+]C1CCN(C(=O)[C@H](C)N2CC[NH2+]CC2=O)CC1 ZINC000637837288 357373941 /nfs/dbraw/zinc/37/39/41/357373941.db2.gz CWEDIHUGZCKKEN-JTQLQIEISA-N 2 2 268.361 -0.983 20 0 CBADLP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(C)Cc2[nH]cc[nH+]2)C1 ZINC000637016272 357317273 /nfs/dbraw/zinc/31/72/73/357317273.db2.gz BFNZPDDLFJMKBF-LLVKDONJSA-N 2 2 293.371 -0.031 20 0 CBADLP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N(C)Cc2[nH]cc[nH+]2)C1 ZINC000637016272 357317276 /nfs/dbraw/zinc/31/72/76/357317276.db2.gz BFNZPDDLFJMKBF-LLVKDONJSA-N 2 2 293.371 -0.031 20 0 CBADLP C[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[NH2+]CC1=O ZINC000637859851 357378315 /nfs/dbraw/zinc/37/83/15/357378315.db2.gz PSDZIVBXOUIESO-UTUOFQBUSA-N 2 2 280.372 -0.840 20 0 CBADLP COc1cc[nH+]cc1CNC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000637168581 357327909 /nfs/dbraw/zinc/32/79/09/357327909.db2.gz PBVQCOVJAUVRBH-LBPRGKRZSA-N 2 2 294.355 -0.044 20 0 CBADLP COc1cc[nH+]cc1CNC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000637168581 357327912 /nfs/dbraw/zinc/32/79/12/357327912.db2.gz PBVQCOVJAUVRBH-LBPRGKRZSA-N 2 2 294.355 -0.044 20 0 CBADLP CC(C)C[C@@](C)(C[NH3+])NC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000637847798 357376273 /nfs/dbraw/zinc/37/62/73/357376273.db2.gz DHYUKQQSFGDHFZ-FZMZJTMJSA-N 2 2 284.404 -0.314 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000637448988 357352476 /nfs/dbraw/zinc/35/24/76/357352476.db2.gz XUROUKKDKKNKCM-UONOGXRCSA-N 2 2 294.399 -0.027 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000637448988 357352478 /nfs/dbraw/zinc/35/24/78/357352478.db2.gz XUROUKKDKKNKCM-UONOGXRCSA-N 2 2 294.399 -0.027 20 0 CBADLP C[C@@H](C(=O)Nc1cccc(C[NH3+])c1)N1CC[NH2+]CC1=O ZINC000637802794 357366249 /nfs/dbraw/zinc/36/62/49/357366249.db2.gz ZUSUBAILOAQAEM-JTQLQIEISA-N 2 2 276.340 -0.096 20 0 CBADLP C[C@H](C(=O)N1CCC(C[NH3+])CC1)N1CC[NH2+]CC1=O ZINC000637803241 357366492 /nfs/dbraw/zinc/36/64/92/357366492.db2.gz BFZJYARMAFRJNS-SNVBAGLBSA-N 2 2 268.361 -0.996 20 0 CBADLP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000637810626 357368235 /nfs/dbraw/zinc/36/82/35/357368235.db2.gz MSYQOSIHCNJYMG-GHMZBOCLSA-N 2 2 291.355 -0.597 20 0 CBADLP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000637810626 357368241 /nfs/dbraw/zinc/36/82/41/357368241.db2.gz MSYQOSIHCNJYMG-GHMZBOCLSA-N 2 2 291.355 -0.597 20 0 CBADLP C[C@@H](C(=O)N1CCCC[C@@H]1CC[NH3+])N1CC[NH2+]CC1=O ZINC000638234758 357441029 /nfs/dbraw/zinc/44/10/29/357441029.db2.gz PEOXMVBWLMEBBN-NWDGAFQWSA-N 2 2 282.388 -0.463 20 0 CBADLP C[C@H](C(=O)N1CCCC[C@H]1CC[NH3+])N1CC[NH2+]CC1=O ZINC000638234756 357441106 /nfs/dbraw/zinc/44/11/06/357441106.db2.gz PEOXMVBWLMEBBN-NEPJUHHUSA-N 2 2 282.388 -0.463 20 0 CBADLP C[C@H](C(=O)N[C@@H](C)CCCC[NH3+])N1CC[NH2+]CC1=O ZINC000638242807 357441914 /nfs/dbraw/zinc/44/19/14/357441914.db2.gz HFNBWZAQZDDNTQ-WDEREUQCSA-N 2 2 270.377 -0.560 20 0 CBADLP CO[C@H]1C[NH2+][C@](C)(C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000638048801 357405098 /nfs/dbraw/zinc/40/50/98/357405098.db2.gz HNKICDKUAGUORY-DOMZBBRYSA-N 2 2 299.415 -0.020 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@@]2(C)C[NH2+]CCO2)CC1 ZINC000638053883 357406216 /nfs/dbraw/zinc/40/62/16/357406216.db2.gz BXWWRXRPAAQSIY-CYBMUJFWSA-N 2 2 271.361 -0.845 20 0 CBADLP C[C@H](C(=O)NCC[NH+]1CCCCC1)N1CC[NH2+]CC1=O ZINC000638056491 357406367 /nfs/dbraw/zinc/40/63/67/357406367.db2.gz ZNMZBQUSNAQHOK-GFCCVEGCSA-N 2 2 282.388 -0.591 20 0 CBADLP CC[NH+]1CCC(N(C)C(=O)[C@@H](C)N2CC[NH2+]CC2=O)CC1 ZINC000638060932 357407308 /nfs/dbraw/zinc/40/73/08/357407308.db2.gz VIHARHHFORYJAZ-GFCCVEGCSA-N 2 2 296.415 -0.251 20 0 CBADLP C[C@H](C(=O)NCC[NH+]1CCCC1)N1CC[NH2+]CC1=O ZINC000638060172 357407802 /nfs/dbraw/zinc/40/78/02/357407802.db2.gz YNJUJYWUUNWDJN-LLVKDONJSA-N 2 2 268.361 -0.981 20 0 CBADLP CN(C)c1ccc(CNC(=O)[C@@H]2OCC[C@@H]2[NH3+])c[nH+]1 ZINC000638068408 357408388 /nfs/dbraw/zinc/40/83/88/357408388.db2.gz KHBLREOQJNETTH-CMPLNLGQSA-N 2 2 264.329 -0.120 20 0 CBADLP C[C@@H](C(=O)NCC[N@@H+]1CCCC[C@H]1C)N1CC[NH2+]CC1=O ZINC000638070065 357409358 /nfs/dbraw/zinc/40/93/58/357409358.db2.gz OVUZEZFLIJPPLN-OLZOCXBDSA-N 2 2 296.415 -0.203 20 0 CBADLP C[C@@H](C(=O)NCC[N@H+]1CCCC[C@H]1C)N1CC[NH2+]CC1=O ZINC000638070065 357409364 /nfs/dbraw/zinc/40/93/64/357409364.db2.gz OVUZEZFLIJPPLN-OLZOCXBDSA-N 2 2 296.415 -0.203 20 0 CBADLP C[C@H](C(=O)NCC[N@@H+]1CCCC[C@@H]1C)N1CC[NH2+]CC1=O ZINC000638070067 357409541 /nfs/dbraw/zinc/40/95/41/357409541.db2.gz OVUZEZFLIJPPLN-QWHCGFSZSA-N 2 2 296.415 -0.203 20 0 CBADLP C[C@H](C(=O)NCC[N@H+]1CCCC[C@@H]1C)N1CC[NH2+]CC1=O ZINC000638070067 357409545 /nfs/dbraw/zinc/40/95/45/357409545.db2.gz OVUZEZFLIJPPLN-QWHCGFSZSA-N 2 2 296.415 -0.203 20 0 CBADLP COC[C@]1(C(=O)N[C@@H](C)C[NH+]2CCOCC2)CCCC[NH2+]1 ZINC000638070388 357409854 /nfs/dbraw/zinc/40/98/54/357409854.db2.gz QSAMMPBAVGQENW-ZFWWWQNUSA-N 2 2 299.415 -0.018 20 0 CBADLP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638070833 357410094 /nfs/dbraw/zinc/41/00/94/357410094.db2.gz BUKJXUWGQIAJQB-CHWSQXEVSA-N 2 2 298.431 -0.101 20 0 CBADLP C[C@H](C(=O)NCC[N@@H+]1CCC[C@@H](C)C1)N1CC[NH2+]CC1=O ZINC000638070215 357410104 /nfs/dbraw/zinc/41/01/04/357410104.db2.gz PFKORGRHKPMHTI-CHWSQXEVSA-N 2 2 296.415 -0.345 20 0 CBADLP C[C@H](C(=O)NCC[N@H+]1CCC[C@@H](C)C1)N1CC[NH2+]CC1=O ZINC000638070215 357410105 /nfs/dbraw/zinc/41/01/05/357410105.db2.gz PFKORGRHKPMHTI-CHWSQXEVSA-N 2 2 296.415 -0.345 20 0 CBADLP [NH3+]Cc1ncc(C(=O)NCC[NH+]2CCSCC2)cn1 ZINC000638070066 357410183 /nfs/dbraw/zinc/41/01/83/357410183.db2.gz WNXZVMHWYIUGSM-UHFFFAOYSA-N 2 2 281.385 -0.286 20 0 CBADLP C[C@H](CNC(=O)[C@@H](C)N1CC[NH2+]CC1=O)C[NH+]1CCCC1 ZINC000638074567 357410799 /nfs/dbraw/zinc/41/07/99/357410799.db2.gz MRESMQYGHUPWFU-CHWSQXEVSA-N 2 2 296.415 -0.345 20 0 CBADLP CC[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)N2CC[NH2+]CC2=O)C1 ZINC000638071627 357411283 /nfs/dbraw/zinc/41/12/83/357411283.db2.gz GEUOOKBAMHTEFQ-VXGBXAGGSA-N 2 2 282.388 -0.735 20 0 CBADLP CC[N@H+]1CC[C@H](CNC(=O)[C@@H](C)N2CC[NH2+]CC2=O)C1 ZINC000638071627 357411284 /nfs/dbraw/zinc/41/12/84/357411284.db2.gz GEUOOKBAMHTEFQ-VXGBXAGGSA-N 2 2 282.388 -0.735 20 0 CBADLP C[C@H](C(=O)NC[C@H](C)C[NH+]1CCCC1)N1CC[NH2+]CC1=O ZINC000638074569 357411302 /nfs/dbraw/zinc/41/13/02/357411302.db2.gz MRESMQYGHUPWFU-QWHCGFSZSA-N 2 2 296.415 -0.345 20 0 CBADLP C[C@@H](CNC(=O)CN1CC[NH2+]CC1)Cn1cc[nH+]c1 ZINC000638077120 357412619 /nfs/dbraw/zinc/41/26/19/357412619.db2.gz PNHVKTBZAGYZMF-LBPRGKRZSA-N 2 2 265.361 -0.459 20 0 CBADLP Nc1nc(N)c(CN2CC[NH+](C3CCC3)CC2)c[nH+]1 ZINC000638079837 357412643 /nfs/dbraw/zinc/41/26/43/357412643.db2.gz WSWRQVDBCXDDCX-UHFFFAOYSA-N 2 2 262.361 -0.028 20 0 CBADLP O=C(CN1CC[NH2+]CC1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000638076996 357412746 /nfs/dbraw/zinc/41/27/46/357412746.db2.gz OGWQIONJQGVURX-AWEZNQCLSA-N 2 2 296.415 -0.785 20 0 CBADLP C[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1C)N1CC[NH2+]CC1=O ZINC000638076767 357412831 /nfs/dbraw/zinc/41/28/31/357412831.db2.gz NNHKQBRJCFQFGD-WDEREUQCSA-N 2 2 268.361 -0.983 20 0 CBADLP C[C@@H](C(=O)NC[C@H]1CCC[N@H+]1C)N1CC[NH2+]CC1=O ZINC000638076767 357412832 /nfs/dbraw/zinc/41/28/32/357412832.db2.gz NNHKQBRJCFQFGD-WDEREUQCSA-N 2 2 268.361 -0.983 20 0 CBADLP C[C@@H](CCCC[NH3+])NC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638242706 357442384 /nfs/dbraw/zinc/44/23/84/357442384.db2.gz HFNBWZAQZDDNTQ-QWRGUYRKSA-N 2 2 270.377 -0.560 20 0 CBADLP COc1cc[nH+]cc1NC(=O)CN1CC[NH2+]CC1 ZINC000638089563 357413360 /nfs/dbraw/zinc/41/33/60/357413360.db2.gz BFZRDABOHKGZAP-UHFFFAOYSA-N 2 2 250.302 -0.066 20 0 CBADLP CO[C@H]1C[NH2+][C@@](C)(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000638090284 357414449 /nfs/dbraw/zinc/41/44/49/357414449.db2.gz HMGVGMNWRXUAQQ-IUODEOHRSA-N 2 2 299.415 -0.020 20 0 CBADLP CO[C@H]1C[NH2+][C@@](C)(C(=O)NCC[N@H+]2CCOC(C)(C)C2)C1 ZINC000638090284 357414452 /nfs/dbraw/zinc/41/44/52/357414452.db2.gz HMGVGMNWRXUAQQ-IUODEOHRSA-N 2 2 299.415 -0.020 20 0 CBADLP C[C@@H](CNC(=O)c1cnc(C[NH3+])nc1)C[NH+]1CCOCC1 ZINC000638090254 357414634 /nfs/dbraw/zinc/41/46/34/357414634.db2.gz GOHPLTOTOUVDQD-NSHDSACASA-N 2 2 293.371 -0.367 20 0 CBADLP CO[C@H]1C[NH2+][C@](C)(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000638090283 357414663 /nfs/dbraw/zinc/41/46/63/357414663.db2.gz HMGVGMNWRXUAQQ-DOMZBBRYSA-N 2 2 299.415 -0.020 20 0 CBADLP CO[C@H]1C[NH2+][C@](C)(C(=O)NCC[N@H+]2CCOC(C)(C)C2)C1 ZINC000638090283 357414666 /nfs/dbraw/zinc/41/46/66/357414666.db2.gz HMGVGMNWRXUAQQ-DOMZBBRYSA-N 2 2 299.415 -0.020 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)C2=CC[C@H]([NH3+])C2)CCO1 ZINC000638091786 357414750 /nfs/dbraw/zinc/41/47/50/357414750.db2.gz YVGLXKQTMUDKJM-PWSUYJOCSA-N 2 2 253.346 -0.129 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)C2=CC[C@H]([NH3+])C2)CCO1 ZINC000638091786 357414752 /nfs/dbraw/zinc/41/47/52/357414752.db2.gz YVGLXKQTMUDKJM-PWSUYJOCSA-N 2 2 253.346 -0.129 20 0 CBADLP CC[N@H+](CCNC(=O)[C@@H](C)N1CC[NH2+]CC1=O)C1CC1 ZINC000638097276 357415735 /nfs/dbraw/zinc/41/57/35/357415735.db2.gz SQYVZZILHGUMRJ-LLVKDONJSA-N 2 2 282.388 -0.593 20 0 CBADLP CC[N@@H+](CCNC(=O)[C@@H](C)N1CC[NH2+]CC1=O)C1CC1 ZINC000638097276 357415737 /nfs/dbraw/zinc/41/57/37/357415737.db2.gz SQYVZZILHGUMRJ-LLVKDONJSA-N 2 2 282.388 -0.593 20 0 CBADLP C[C@H](C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)N1CC[NH2+]CC1=O ZINC000638101228 357416594 /nfs/dbraw/zinc/41/65/94/357416594.db2.gz OTSVTCHZWYAVJF-YPMHNXCESA-N 2 2 294.399 -0.593 20 0 CBADLP C[C@H](C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)N1CC[NH2+]CC1=O ZINC000638101228 357416599 /nfs/dbraw/zinc/41/65/99/357416599.db2.gz OTSVTCHZWYAVJF-YPMHNXCESA-N 2 2 294.399 -0.593 20 0 CBADLP CC1(C)COCC[N@@H+]1CCNC(=O)CN1CC[NH2+]CC1 ZINC000638099356 357417188 /nfs/dbraw/zinc/41/71/88/357417188.db2.gz UFSPGZHLOIVPIX-UHFFFAOYSA-N 2 2 284.404 -0.881 20 0 CBADLP CC1(C)COCC[N@H+]1CCNC(=O)CN1CC[NH2+]CC1 ZINC000638099356 357417189 /nfs/dbraw/zinc/41/71/89/357417189.db2.gz UFSPGZHLOIVPIX-UHFFFAOYSA-N 2 2 284.404 -0.881 20 0 CBADLP C[C@H](CNC(=O)[C@H](C)N1CC[NH2+]CC1=O)[N@H+](C)C1CC1 ZINC000638101068 357417355 /nfs/dbraw/zinc/41/73/55/357417355.db2.gz NAEZGEVSUGDYPL-MNOVXSKESA-N 2 2 282.388 -0.594 20 0 CBADLP C[C@H](CNC(=O)[C@H](C)N1CC[NH2+]CC1=O)[N@@H+](C)C1CC1 ZINC000638101068 357417357 /nfs/dbraw/zinc/41/73/57/357417357.db2.gz NAEZGEVSUGDYPL-MNOVXSKESA-N 2 2 282.388 -0.594 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638099310 357417542 /nfs/dbraw/zinc/41/75/42/357417542.db2.gz SMQPGFUOXAJBAP-OCCSQVGLSA-N 2 2 285.388 -0.421 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638099310 357417544 /nfs/dbraw/zinc/41/75/44/357417544.db2.gz SMQPGFUOXAJBAP-OCCSQVGLSA-N 2 2 285.388 -0.421 20 0 CBADLP CO[C@H]1C[NH2+][C@@](C)(C(=O)NCCc2[nH]cc[nH+]2)C1 ZINC000638111017 357420939 /nfs/dbraw/zinc/42/09/39/357420939.db2.gz BDWGCGFZJBETAV-BXKDBHETSA-N 2 2 252.318 -0.165 20 0 CBADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638142122 357426187 /nfs/dbraw/zinc/42/61/87/357426187.db2.gz YKDWYHHARLJNRR-UKRRQHHQSA-N 2 2 298.431 -0.506 20 0 CBADLP C[C@H](C(=O)N1CC[C@H]([C@H](C)[NH3+])C1)N1CC[NH2+]CC1=O ZINC000638153640 357427431 /nfs/dbraw/zinc/42/74/31/357427431.db2.gz FABKCCCDVVFDMV-AXFHLTTASA-N 2 2 268.361 -0.998 20 0 CBADLP C[C@H](C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)N1CC[NH2+]CC1=O ZINC000638165035 357429247 /nfs/dbraw/zinc/42/92/47/357429247.db2.gz OAROKYQXNCWMLM-YVECIDJPSA-N 2 2 294.399 -0.608 20 0 CBADLP C[C@H](C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)N1CC[NH2+]CC1=O ZINC000638165034 357429295 /nfs/dbraw/zinc/42/92/95/357429295.db2.gz OAROKYQXNCWMLM-XQHKEYJVSA-N 2 2 294.399 -0.608 20 0 CBADLP CCc1c[nH]c(CC(=O)N2CCO[C@@H](C[NH3+])C2)[nH+]1 ZINC000638173782 357431240 /nfs/dbraw/zinc/43/12/40/357431240.db2.gz KAUUACVMDYKARN-JTQLQIEISA-N 2 2 252.318 -0.299 20 0 CBADLP C[C@@H](C(=O)N[C@@H]1CCC[NH2+]CC1)N1CC[NH2+]CC1=O ZINC000638195698 357433334 /nfs/dbraw/zinc/43/33/34/357433334.db2.gz OTUOJMRQXBJJQY-WDEREUQCSA-N 2 2 268.361 -0.935 20 0 CBADLP C[C@@H](C(=O)N[C@H]1CC[NH2+][C@H](C)C1)N1CC[NH2+]CC1=O ZINC000638207946 357435565 /nfs/dbraw/zinc/43/55/65/357435565.db2.gz DMBJINJACRIVGR-VWYCJHECSA-N 2 2 268.361 -0.937 20 0 CBADLP C[C@H](C(=O)NC1(C)CC[NH2+]CC1)N1CC[NH2+]CC1=O ZINC000638206630 357435665 /nfs/dbraw/zinc/43/56/65/357435665.db2.gz VZBRAGUFUDPBAK-SNVBAGLBSA-N 2 2 268.361 -0.935 20 0 CBADLP C[C@H](C(=O)N1CC[C@@](C)(C[NH3+])C1)N1CC[NH2+]CC1=O ZINC000638218552 357435987 /nfs/dbraw/zinc/43/59/87/357435987.db2.gz DAQPONXUEJGNHC-MFKMUULPSA-N 2 2 268.361 -0.996 20 0 CBADLP CON1CCC(C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])CC1 ZINC000637863796 357378804 /nfs/dbraw/zinc/37/88/04/357378804.db2.gz HCKXTLKHNXJABD-GFCCVEGCSA-N 2 2 270.377 -0.639 20 0 CBADLP CON1CCC(C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])CC1 ZINC000637863796 357378808 /nfs/dbraw/zinc/37/88/08/357378808.db2.gz HCKXTLKHNXJABD-GFCCVEGCSA-N 2 2 270.377 -0.639 20 0 CBADLP C[N@@H+]1CCN(C(=O)Cn2ccc(C(F)F)n2)[C@@H](C[NH3+])C1 ZINC000637864723 357379219 /nfs/dbraw/zinc/37/92/19/357379219.db2.gz WHBHMQQWEKSHLW-VIFPVBQESA-N 2 2 287.314 -0.078 20 0 CBADLP C[N@H+]1CCN(C(=O)Cn2ccc(C(F)F)n2)[C@@H](C[NH3+])C1 ZINC000637864723 357379224 /nfs/dbraw/zinc/37/92/24/357379224.db2.gz WHBHMQQWEKSHLW-VIFPVBQESA-N 2 2 287.314 -0.078 20 0 CBADLP CCCC[C@@H](C[NH3+])NC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000637868129 357380411 /nfs/dbraw/zinc/38/04/11/357380411.db2.gz ZRVAVTLMUFDBHN-MNOVXSKESA-N 2 2 270.377 -0.560 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638608381 357501389 /nfs/dbraw/zinc/50/13/89/357501389.db2.gz APIYPNLLRPGIQH-DGCLKSJQSA-N 2 2 271.361 -0.811 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638608381 357501391 /nfs/dbraw/zinc/50/13/91/357501391.db2.gz APIYPNLLRPGIQH-DGCLKSJQSA-N 2 2 271.361 -0.811 20 0 CBADLP CCO[C@@H]1C[C@]([NH3+])(C(=O)NC[C@H]2COCC[N@@H+]2C)C1(C)C ZINC000638610316 357502043 /nfs/dbraw/zinc/50/20/43/357502043.db2.gz JXXJSNJXDAQQQB-ZOWXZIJZSA-N 2 2 299.415 -0.034 20 0 CBADLP CCO[C@@H]1C[C@]([NH3+])(C(=O)NC[C@H]2COCC[N@H+]2C)C1(C)C ZINC000638610316 357502048 /nfs/dbraw/zinc/50/20/48/357502048.db2.gz JXXJSNJXDAQQQB-ZOWXZIJZSA-N 2 2 299.415 -0.034 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000638609231 357502551 /nfs/dbraw/zinc/50/25/51/357502551.db2.gz FRHIBPUTQRREJA-MNOVXSKESA-N 2 2 293.371 -0.453 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000638609231 357502554 /nfs/dbraw/zinc/50/25/54/357502554.db2.gz FRHIBPUTQRREJA-MNOVXSKESA-N 2 2 293.371 -0.453 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000638611218 357502772 /nfs/dbraw/zinc/50/27/72/357502772.db2.gz MYBZIENWEKFFLE-GHMZBOCLSA-N 2 2 273.402 -0.472 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000638611218 357502773 /nfs/dbraw/zinc/50/27/73/357502773.db2.gz MYBZIENWEKFFLE-GHMZBOCLSA-N 2 2 273.402 -0.472 20 0 CBADLP COCCC1(C(=O)NC[C@H]2COCC[N@@H+]2C)CC[NH2+]CC1 ZINC000638610099 357502828 /nfs/dbraw/zinc/50/28/28/357502828.db2.gz IMRPTLKODOMSGJ-ZDUSSCGKSA-N 2 2 299.415 -0.161 20 0 CBADLP COCCC1(C(=O)NC[C@H]2COCC[N@H+]2C)CC[NH2+]CC1 ZINC000638610099 357502829 /nfs/dbraw/zinc/50/28/29/357502829.db2.gz IMRPTLKODOMSGJ-ZDUSSCGKSA-N 2 2 299.415 -0.161 20 0 CBADLP CC(C)OC[C@H]([NH3+])C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000638612382 357503452 /nfs/dbraw/zinc/50/34/52/357503452.db2.gz VHFYHXNSVMFDBR-QWRGUYRKSA-N 2 2 259.350 -0.815 20 0 CBADLP CC(C)OC[C@H]([NH3+])C(=O)NC[C@H]1COCC[N@H+]1C ZINC000638612382 357503457 /nfs/dbraw/zinc/50/34/57/357503457.db2.gz VHFYHXNSVMFDBR-QWRGUYRKSA-N 2 2 259.350 -0.815 20 0 CBADLP COC[C@]1(C(=O)NC[C@H]2COCC[N@@H+]2C)CC[NH2+]C1 ZINC000638611973 357503578 /nfs/dbraw/zinc/50/35/78/357503578.db2.gz RHZMOLINZAFKBE-AAEUAGOBSA-N 2 2 271.361 -0.941 20 0 CBADLP COC[C@]1(C(=O)NC[C@H]2COCC[N@H+]2C)CC[NH2+]C1 ZINC000638611973 357503584 /nfs/dbraw/zinc/50/35/84/357503584.db2.gz RHZMOLINZAFKBE-AAEUAGOBSA-N 2 2 271.361 -0.941 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)c1c[nH+]ccc1N ZINC000638612007 357503778 /nfs/dbraw/zinc/50/37/78/357503778.db2.gz RQFOFTOFIVNCEE-SECBINFHSA-N 2 2 250.302 -0.445 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)c1c[nH+]ccc1N ZINC000638612007 357503784 /nfs/dbraw/zinc/50/37/84/357503784.db2.gz RQFOFTOFIVNCEE-SECBINFHSA-N 2 2 250.302 -0.445 20 0 CBADLP C[C@@H]1CC[NH2+][C@H](C(=O)NC[C@@H]2COCC[N@@H+]2C)C1 ZINC000638612377 357503973 /nfs/dbraw/zinc/50/39/73/357503973.db2.gz VGKSHQBWMNXAAZ-UTUOFQBUSA-N 2 2 255.362 -0.179 20 0 CBADLP C[C@@H]1CC[NH2+][C@H](C(=O)NC[C@@H]2COCC[N@H+]2C)C1 ZINC000638612377 357503976 /nfs/dbraw/zinc/50/39/76/357503976.db2.gz VGKSHQBWMNXAAZ-UTUOFQBUSA-N 2 2 255.362 -0.179 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000638611984 357504169 /nfs/dbraw/zinc/50/41/69/357504169.db2.gz RJEFGSNKQVGHRQ-MNOVXSKESA-N 2 2 293.371 -0.453 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000638611984 357504170 /nfs/dbraw/zinc/50/41/70/357504170.db2.gz RJEFGSNKQVGHRQ-MNOVXSKESA-N 2 2 293.371 -0.453 20 0 CBADLP COC[C@@]1(C(=O)NC[C@@H]2COCC[N@@H+]2C)CC[NH2+]C1 ZINC000638611974 357504306 /nfs/dbraw/zinc/50/43/06/357504306.db2.gz RHZMOLINZAFKBE-DGCLKSJQSA-N 2 2 271.361 -0.941 20 0 CBADLP COC[C@@]1(C(=O)NC[C@@H]2COCC[N@H+]2C)CC[NH2+]C1 ZINC000638611974 357504308 /nfs/dbraw/zinc/50/43/08/357504308.db2.gz RHZMOLINZAFKBE-DGCLKSJQSA-N 2 2 271.361 -0.941 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000638611983 357504325 /nfs/dbraw/zinc/50/43/25/357504325.db2.gz RJEFGSNKQVGHRQ-GHMZBOCLSA-N 2 2 293.371 -0.453 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000638611983 357504326 /nfs/dbraw/zinc/50/43/26/357504326.db2.gz RJEFGSNKQVGHRQ-GHMZBOCLSA-N 2 2 293.371 -0.453 20 0 CBADLP C[C@@H]1CC[NH2+][C@@H](C(=O)NC[C@@H]2COCC[N@@H+]2C)C1 ZINC000638612376 357504345 /nfs/dbraw/zinc/50/43/45/357504345.db2.gz VGKSHQBWMNXAAZ-IJLUTSLNSA-N 2 2 255.362 -0.179 20 0 CBADLP C[C@@H]1CC[NH2+][C@@H](C(=O)NC[C@@H]2COCC[N@H+]2C)C1 ZINC000638612376 357504347 /nfs/dbraw/zinc/50/43/47/357504347.db2.gz VGKSHQBWMNXAAZ-IJLUTSLNSA-N 2 2 255.362 -0.179 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000638612349 357504367 /nfs/dbraw/zinc/50/43/67/357504367.db2.gz UWOUYPTZBVUMES-OUCADQQQSA-N 2 2 267.373 -0.177 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000638612349 357504370 /nfs/dbraw/zinc/50/43/70/357504370.db2.gz UWOUYPTZBVUMES-OUCADQQQSA-N 2 2 267.373 -0.177 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000638612992 357505007 /nfs/dbraw/zinc/50/50/07/357505007.db2.gz ZKWXLSWHMLPAAO-NEPJUHHUSA-N 2 2 255.362 -0.177 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000638612992 357505010 /nfs/dbraw/zinc/50/50/10/357505010.db2.gz ZKWXLSWHMLPAAO-NEPJUHHUSA-N 2 2 255.362 -0.177 20 0 CBADLP O=C(NC[C@@H]1COCC[NH2+]1)c1ccc(-n2cc[nH+]c2)nn1 ZINC000638616432 357507462 /nfs/dbraw/zinc/50/74/62/357507462.db2.gz RBFKJDMKFCTKTR-SNVBAGLBSA-N 2 2 288.311 -0.620 20 0 CBADLP O=C(NC[C@H]1COCC[NH2+]1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000638616314 357507895 /nfs/dbraw/zinc/50/78/95/357507895.db2.gz KQFRRLYATBYNHY-GXTWGEPZSA-N 2 2 297.399 -0.266 20 0 CBADLP O=C(NC[C@H]1COCC[NH2+]1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000638616314 357507899 /nfs/dbraw/zinc/50/78/99/357507899.db2.gz KQFRRLYATBYNHY-GXTWGEPZSA-N 2 2 297.399 -0.266 20 0 CBADLP C[C@H](C(=O)N[C@H](C[NH3+])C(C)(C)C)N1CC[NH2+]CC1=O ZINC000638332631 357458622 /nfs/dbraw/zinc/45/86/22/357458622.db2.gz JHALVRZJJGFXEL-NXEZZACHSA-N 2 2 270.377 -0.704 20 0 CBADLP C[C@H](C(=O)N1C[C@@H](C[NH3+])[C@H](C)C[C@@H]1C)N1CC[NH2+]CC1=O ZINC000638357298 357462267 /nfs/dbraw/zinc/46/22/67/357462267.db2.gz ONRKOQYOJZKUKI-YVECIDJPSA-N 2 2 296.415 -0.362 20 0 CBADLP C[C@@H](CNC(=O)[C@@]1(C)C[NH2+]CCO1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000638395918 357466888 /nfs/dbraw/zinc/46/68/88/357466888.db2.gz FWHAQFVIGMVWPW-RMRHIDDWSA-N 2 2 299.415 -0.021 20 0 CBADLP C[C@@H](CNC(=O)[C@@]1(C)C[NH2+]CCO1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000638395918 357466889 /nfs/dbraw/zinc/46/68/89/357466889.db2.gz FWHAQFVIGMVWPW-RMRHIDDWSA-N 2 2 299.415 -0.021 20 0 CBADLP C[C@H](C(=O)N(C)CC[NH+]1CCCCC1)N1CC[NH2+]CC1=O ZINC000638399618 357467919 /nfs/dbraw/zinc/46/79/19/357467919.db2.gz ZUBQZRGQKOIGSS-CYBMUJFWSA-N 2 2 296.415 -0.249 20 0 CBADLP C[C@@H](C(=O)N(C)CC[NH+]1CCCCC1)N1CC[NH2+]CC1=O ZINC000638399619 357468348 /nfs/dbraw/zinc/46/83/48/357468348.db2.gz ZUBQZRGQKOIGSS-ZDUSSCGKSA-N 2 2 296.415 -0.249 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)[C@@H]2OCC[C@@H]2[NH3+])[C@@H](C)CO1 ZINC000638405444 357469523 /nfs/dbraw/zinc/46/95/23/357469523.db2.gz CRWVXQFBYKKAEF-FIQHERPVSA-N 2 2 271.361 -0.672 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)[C@@H]2OCC[C@@H]2[NH3+])[C@@H](C)CO1 ZINC000638405444 357469526 /nfs/dbraw/zinc/46/95/26/357469526.db2.gz CRWVXQFBYKKAEF-FIQHERPVSA-N 2 2 271.361 -0.672 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2OCC[C@@H]2[NH3+])[C@@H](C)CO1 ZINC000638405446 357469582 /nfs/dbraw/zinc/46/95/82/357469582.db2.gz CRWVXQFBYKKAEF-WHOHXGKFSA-N 2 2 271.361 -0.672 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2OCC[C@@H]2[NH3+])[C@@H](C)CO1 ZINC000638405446 357469586 /nfs/dbraw/zinc/46/95/86/357469586.db2.gz CRWVXQFBYKKAEF-WHOHXGKFSA-N 2 2 271.361 -0.672 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638409169 357470286 /nfs/dbraw/zinc/47/02/86/357470286.db2.gz MUYJTEYUADGWTK-AWEZNQCLSA-N 3 2 286.420 -0.635 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638409169 357470288 /nfs/dbraw/zinc/47/02/88/357470288.db2.gz MUYJTEYUADGWTK-AWEZNQCLSA-N 3 2 286.420 -0.635 20 0 CBADLP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000638414013 357471708 /nfs/dbraw/zinc/47/17/08/357471708.db2.gz KUQXOEJGZILYHY-KCQAQPDRSA-N 2 2 297.399 -0.314 20 0 CBADLP CC[NH2+][C@@H](C)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000638414910 357471958 /nfs/dbraw/zinc/47/19/58/357471958.db2.gz UUSSYWYZSFVICE-RYUDHWBXSA-N 2 2 255.362 -0.083 20 0 CBADLP CO[C@@H](C[NH2+]CC(=O)N1CC[NH+](C)CC1)[C@H]1CCOC1 ZINC000638441101 357477421 /nfs/dbraw/zinc/47/74/21/357477421.db2.gz ZLHBEDUXSQWSNJ-STQMWFEESA-N 2 2 285.388 -0.599 20 0 CBADLP CCn1ncnc1C[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000638440523 357477562 /nfs/dbraw/zinc/47/75/62/357477562.db2.gz SAWAXVWPLCCOQJ-UHFFFAOYSA-N 2 2 266.349 -0.838 20 0 CBADLP CO[C@H](C[NH2+]CC(=O)N1CC[NH+](C)CC1)[C@H]1CCOC1 ZINC000638441100 357477832 /nfs/dbraw/zinc/47/78/32/357477832.db2.gz ZLHBEDUXSQWSNJ-QWHCGFSZSA-N 2 2 285.388 -0.599 20 0 CBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1c[nH+]ccc1N ZINC000638445227 357479036 /nfs/dbraw/zinc/47/90/36/357479036.db2.gz FAQCJMUWGQCACZ-NSHDSACASA-N 2 2 294.355 -0.741 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC[NH2+]C[C@H]1C(C)C ZINC000638488704 357484691 /nfs/dbraw/zinc/48/46/91/357484691.db2.gz IVKURGKWPCQBCB-ZDUSSCGKSA-N 2 2 298.431 -0.101 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CC[NH2+]C[C@H]1C(C)C ZINC000638488704 357484697 /nfs/dbraw/zinc/48/46/97/357484697.db2.gz IVKURGKWPCQBCB-ZDUSSCGKSA-N 2 2 298.431 -0.101 20 0 CBADLP CCn1ncnc1C[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000638547341 357494586 /nfs/dbraw/zinc/49/45/86/357494586.db2.gz BHCNMHAFCYHRGE-UHFFFAOYSA-N 2 2 280.376 -0.448 20 0 CBADLP CO[C@]1(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)CCOC1 ZINC000639349069 357568922 /nfs/dbraw/zinc/56/89/22/357568922.db2.gz LQERJGLZBSXMII-JSGCOSHPSA-N 2 2 285.388 -0.279 20 0 CBADLP CO[C@]1(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)CCOC1 ZINC000639349069 357568924 /nfs/dbraw/zinc/56/89/24/357568924.db2.gz LQERJGLZBSXMII-JSGCOSHPSA-N 2 2 285.388 -0.279 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000638640553 357514680 /nfs/dbraw/zinc/51/46/80/357514680.db2.gz CHRXSEZORSBNAD-NWDGAFQWSA-N 2 2 284.404 -0.301 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000638640553 357514683 /nfs/dbraw/zinc/51/46/83/357514683.db2.gz CHRXSEZORSBNAD-NWDGAFQWSA-N 2 2 284.404 -0.301 20 0 CBADLP [NH3+]CCCOCCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000638662235 357517119 /nfs/dbraw/zinc/51/71/19/357517119.db2.gz PRXPQUWHPXWGMR-NSHDSACASA-N 2 2 266.345 -0.073 20 0 CBADLP Cn1c[nH+]cc1CC[N@H+](CCO)CCN1CCOCC1 ZINC000639509833 357575249 /nfs/dbraw/zinc/57/52/49/357575249.db2.gz NXCMKUMCHIYSNV-UHFFFAOYSA-N 2 2 282.388 -0.411 20 0 CBADLP Cn1c[nH+]cc1CC[N@@H+](CCO)CCN1CCOCC1 ZINC000639509833 357575250 /nfs/dbraw/zinc/57/52/50/357575250.db2.gz NXCMKUMCHIYSNV-UHFFFAOYSA-N 2 2 282.388 -0.411 20 0 CBADLP C[NH2+]CC(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000638731266 357526406 /nfs/dbraw/zinc/52/64/06/357526406.db2.gz MIZFRBOODHGJGP-CYBMUJFWSA-N 2 2 278.356 -0.382 20 0 CBADLP C[NH2+]CC(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000638731266 357526409 /nfs/dbraw/zinc/52/64/09/357526409.db2.gz MIZFRBOODHGJGP-CYBMUJFWSA-N 2 2 278.356 -0.382 20 0 CBADLP [NH3+]CCC(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000638730726 357526548 /nfs/dbraw/zinc/52/65/48/357526548.db2.gz CXANKCUTRJIKPQ-ZDUSSCGKSA-N 2 2 278.356 -0.253 20 0 CBADLP [NH3+]CCC(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000638730726 357526550 /nfs/dbraw/zinc/52/65/50/357526550.db2.gz CXANKCUTRJIKPQ-ZDUSSCGKSA-N 2 2 278.356 -0.253 20 0 CBADLP C[C@@H](C(=O)N[C@H]1CC[C@H](C[NH3+])CC1)N1CC[NH2+]CC1=O ZINC000638951087 357546904 /nfs/dbraw/zinc/54/69/04/357546904.db2.gz PMQYJBZLHWOJBM-SRVKXCTJSA-N 2 2 282.388 -0.560 20 0 CBADLP CS(=O)(=O)CC(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638987847 357548611 /nfs/dbraw/zinc/54/86/11/357548611.db2.gz LKBPCDFZZQARMN-UHFFFAOYSA-N 2 2 298.368 -0.526 20 0 CBADLP CC(C)[C@H]1CN(C(=O)[C@H](C)N2CC[NH2+]CC2=O)CC[N@@H+]1C ZINC000639018703 357552830 /nfs/dbraw/zinc/55/28/30/357552830.db2.gz SLFKEFLRXHRNDE-QWHCGFSZSA-N 2 2 296.415 -0.395 20 0 CBADLP CC(C)[C@H]1CN(C(=O)[C@H](C)N2CC[NH2+]CC2=O)CC[N@H+]1C ZINC000639018703 357552833 /nfs/dbraw/zinc/55/28/33/357552833.db2.gz SLFKEFLRXHRNDE-QWHCGFSZSA-N 2 2 296.415 -0.395 20 0 CBADLP C[C@@H](C(=O)N[C@H]1CC[C@H]([NH3+])CC1)N1CC[NH2+]CC1=O ZINC000639029592 357555140 /nfs/dbraw/zinc/55/51/40/357555140.db2.gz JBVDSUAHLOKHEL-DCAQKATOSA-N 2 2 268.361 -0.807 20 0 CBADLP C[C@@H]1CN(Cc2c[nH+]c(N)nc2N)[C@@H](C)C[N@@H+]1C ZINC000639057574 357555980 /nfs/dbraw/zinc/55/59/80/357555980.db2.gz BTPPHFYRNHARMB-BDAKNGLRSA-N 2 2 250.350 -0.174 20 0 CBADLP C[C@@H]1CN(Cc2c[nH+]c(N)nc2N)[C@@H](C)C[N@H+]1C ZINC000639057574 357555984 /nfs/dbraw/zinc/55/59/84/357555984.db2.gz BTPPHFYRNHARMB-BDAKNGLRSA-N 2 2 250.350 -0.174 20 0 CBADLP C[C@H]1[C@H](C)[N@H+](C)CCN1Cc1c[nH+]c(N)nc1N ZINC000639058584 357556020 /nfs/dbraw/zinc/55/60/20/357556020.db2.gz QMCSPIPAWPOSSI-IUCAKERBSA-N 2 2 250.350 -0.174 20 0 CBADLP C[C@H]1[C@H](C)[N@@H+](C)CCN1Cc1c[nH+]c(N)nc1N ZINC000639058584 357556023 /nfs/dbraw/zinc/55/60/23/357556023.db2.gz QMCSPIPAWPOSSI-IUCAKERBSA-N 2 2 250.350 -0.174 20 0 CBADLP Nc1nc(N)c(CN2CC[NH+]([C@H]3CCOC3)CC2)c[nH+]1 ZINC000639308526 357566313 /nfs/dbraw/zinc/56/63/13/357566313.db2.gz BICUTZZSXJKHLY-NSHDSACASA-N 2 2 278.360 -0.792 20 0 CBADLP C[NH+](C)C[C@]1(O)CCC[N@H+](CCN2CCNC2=O)C1 ZINC000639762145 357595800 /nfs/dbraw/zinc/59/58/00/357595800.db2.gz GTUSTRDKTUDZQS-CYBMUJFWSA-N 2 2 270.377 -0.600 20 0 CBADLP C[NH+](C)C[C@]1(O)CCC[N@@H+](CCN2CCNC2=O)C1 ZINC000639762145 357595806 /nfs/dbraw/zinc/59/58/06/357595806.db2.gz GTUSTRDKTUDZQS-CYBMUJFWSA-N 2 2 270.377 -0.600 20 0 CBADLP CN1CC[C@H]([N@@H+]2CCC[C@](O)(C[NH+](C)C)C2)C1=O ZINC000639761693 357596292 /nfs/dbraw/zinc/59/62/92/357596292.db2.gz IKSUPVOCHARNMP-AAEUAGOBSA-N 2 2 255.362 -0.394 20 0 CBADLP CN1CC[C@H]([N@H+]2CCC[C@](O)(C[NH+](C)C)C2)C1=O ZINC000639761693 357596295 /nfs/dbraw/zinc/59/62/95/357596295.db2.gz IKSUPVOCHARNMP-AAEUAGOBSA-N 2 2 255.362 -0.394 20 0 CBADLP C[NH+](C)C[C@@]1(O)CCC[N@H+](C[C@@H]2COCCO2)C1 ZINC000639767840 357597416 /nfs/dbraw/zinc/59/74/16/357597416.db2.gz UAOKMXMYNARXNM-OLZOCXBDSA-N 2 2 258.362 -0.210 20 0 CBADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](C[C@@H]2COCCO2)C1 ZINC000639767840 357597421 /nfs/dbraw/zinc/59/74/21/357597421.db2.gz UAOKMXMYNARXNM-OLZOCXBDSA-N 2 2 258.362 -0.210 20 0 CBADLP c1cn(C[C@H]2C[N@H+](CCn3cc[nH+]c3)CCO2)nn1 ZINC000639857696 357610348 /nfs/dbraw/zinc/61/03/48/357610348.db2.gz OPUNORVIBHOBFG-GFCCVEGCSA-N 2 2 262.317 -0.124 20 0 CBADLP c1cn(C[C@H]2C[N@@H+](CCn3cc[nH+]c3)CCO2)nn1 ZINC000639857696 357610354 /nfs/dbraw/zinc/61/03/54/357610354.db2.gz OPUNORVIBHOBFG-GFCCVEGCSA-N 2 2 262.317 -0.124 20 0 CBADLP Cn1c[nH+]cc1CC[NH+]1C[C@]2(C)C(=O)NC(=O)[C@@]2(C)C1 ZINC000639943474 357619329 /nfs/dbraw/zinc/61/93/29/357619329.db2.gz ZIMIRWUNOGKZDY-ZIAGYGMSSA-N 2 2 276.340 -0.053 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC000640322550 357645615 /nfs/dbraw/zinc/64/56/15/357645615.db2.gz QDAURVVJESNFQH-NSHDSACASA-N 2 2 266.345 -0.465 20 0 CBADLP OC[C@H]1CCC[N@@H+]1Cc1cn(CC[NH+]2CCOCC2)nn1 ZINC000641032479 357672688 /nfs/dbraw/zinc/67/26/88/357672688.db2.gz AWCHABNXFHUWFK-CQSZACIVSA-N 2 2 295.387 -0.433 20 0 CBADLP OC[C@H]1CCC[N@H+]1Cc1cn(CC[NH+]2CCOCC2)nn1 ZINC000641032479 357672690 /nfs/dbraw/zinc/67/26/90/357672690.db2.gz AWCHABNXFHUWFK-CQSZACIVSA-N 2 2 295.387 -0.433 20 0 CBADLP Cn1c[nH+]cc1Cn1cc(CN2CC[NH+](C)CC2)nn1 ZINC000641038145 357673207 /nfs/dbraw/zinc/67/32/07/357673207.db2.gz LEZSAZNQUOGTRE-UHFFFAOYSA-N 2 2 275.360 -0.193 20 0 CBADLP CC[NH+](CC)Cc1cn(C[C@H](O)C[NH+]2CCOCC2)nn1 ZINC000641207907 357679285 /nfs/dbraw/zinc/67/92/85/357679285.db2.gz OCEJMLICPVJULH-CQSZACIVSA-N 2 2 297.403 -0.187 20 0 CBADLP C[N@H+](CCOC[C@@H]1CCCO1)CC(=O)N1CC[NH+](C)CC1 ZINC000640058297 357632863 /nfs/dbraw/zinc/63/28/63/357632863.db2.gz LIMRLUDJBJHYGM-AWEZNQCLSA-N 2 2 299.415 -0.112 20 0 CBADLP C[N@@H+](CCOC[C@@H]1CCCO1)CC(=O)N1CC[NH+](C)CC1 ZINC000640058297 357632869 /nfs/dbraw/zinc/63/28/69/357632869.db2.gz LIMRLUDJBJHYGM-AWEZNQCLSA-N 2 2 299.415 -0.112 20 0 CBADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H]1CCc2ncnn21 ZINC000640062681 357633667 /nfs/dbraw/zinc/63/36/67/357633667.db2.gz OOWABTMZVUSTQR-GFCCVEGCSA-N 2 2 292.387 -0.529 20 0 CBADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H]1CCc2ncnn21 ZINC000640062681 357633669 /nfs/dbraw/zinc/63/36/69/357633669.db2.gz OOWABTMZVUSTQR-GFCCVEGCSA-N 2 2 292.387 -0.529 20 0 CBADLP CO[C@@H](C[N@H+](C)CC(=O)N1CC[NH+](C)CC1)[C@@H]1CCOC1 ZINC000640064413 357634165 /nfs/dbraw/zinc/63/41/65/357634165.db2.gz VMLXJYKKPNDNOS-KGLIPLIRSA-N 2 2 299.415 -0.256 20 0 CBADLP CO[C@@H](C[N@@H+](C)CC(=O)N1CC[NH+](C)CC1)[C@@H]1CCOC1 ZINC000640064413 357634169 /nfs/dbraw/zinc/63/41/69/357634169.db2.gz VMLXJYKKPNDNOS-KGLIPLIRSA-N 2 2 299.415 -0.256 20 0 CBADLP O=S(=O)(CCn1cc[nH+]c1)N1CC[NH+](C2CC2)CC1 ZINC000641303061 357689919 /nfs/dbraw/zinc/68/99/19/357689919.db2.gz YVACTYAAGOTVLC-UHFFFAOYSA-N 2 2 284.385 -0.007 20 0 CBADLP CN(CC[NH+](C)C)S(=O)(=O)CCn1cc[nH+]c1 ZINC000641363743 357697167 /nfs/dbraw/zinc/69/71/67/357697167.db2.gz DKZFTBVMNNQDTG-UHFFFAOYSA-N 2 2 260.363 -0.294 20 0 CBADLP C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)CC1 ZINC000641800848 357743374 /nfs/dbraw/zinc/74/33/74/357743374.db2.gz HEINCJWLTGMRBS-VXGBXAGGSA-N 3 2 268.405 -0.134 20 0 CBADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)C(C)(C)C2)C[C@H](C)[NH2+]1 ZINC000641823908 357745485 /nfs/dbraw/zinc/74/54/85/357745485.db2.gz BVSGMGACYCVCAI-TXEJJXNPSA-N 2 2 296.415 -0.252 20 0 CBADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)C(C)(C)C2)C[C@H](C)[NH2+]1 ZINC000641823908 357745487 /nfs/dbraw/zinc/74/54/87/357745487.db2.gz BVSGMGACYCVCAI-TXEJJXNPSA-N 2 2 296.415 -0.252 20 0 CBADLP C[C@H]1CN(C(=O)C(=O)N2CC[N@H+](C)C(C)(C)C2)C[C@H](C)[NH2+]1 ZINC000641823906 357745721 /nfs/dbraw/zinc/74/57/21/357745721.db2.gz BVSGMGACYCVCAI-RYUDHWBXSA-N 2 2 296.415 -0.252 20 0 CBADLP C[C@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)C(C)(C)C2)C[C@H](C)[NH2+]1 ZINC000641823906 357745726 /nfs/dbraw/zinc/74/57/26/357745726.db2.gz BVSGMGACYCVCAI-RYUDHWBXSA-N 2 2 296.415 -0.252 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)NC[C@H]2CCCC[NH2+]2)CC1 ZINC000642902402 357765796 /nfs/dbraw/zinc/76/57/96/357765796.db2.gz RNBXPIWYBIUPPB-GFCCVEGCSA-N 2 2 282.388 -0.591 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)NCC[NH2+]C2CC2)CC1 ZINC000642919908 357771155 /nfs/dbraw/zinc/77/11/55/357771155.db2.gz MXBXGVBZLULAFI-UHFFFAOYSA-N 2 2 268.361 -0.981 20 0 CBADLP CN1CCN(c2cc(N3CCC[C@H]([NH3+])C3)nc[nH+]2)CC1=O ZINC000642986900 357774331 /nfs/dbraw/zinc/77/43/31/357774331.db2.gz NVENCOQKTFHGSE-NSHDSACASA-N 2 2 290.371 -0.318 20 0 CBADLP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000642985848 357774705 /nfs/dbraw/zinc/77/47/05/357774705.db2.gz DHPYDEMEPAFXTP-AAEUAGOBSA-N 2 2 294.399 -0.593 20 0 CBADLP [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000643574471 357788462 /nfs/dbraw/zinc/78/84/62/357788462.db2.gz HNDGTVMZVUOSCC-ZDUSSCGKSA-N 2 2 294.399 -0.367 20 0 CBADLP C[C@@H]([NH3+])C(=O)N(CC1CC1)C[C@@H]1C[N@H+](C)CCO1 ZINC000423881709 296013830 /nfs/dbraw/zinc/01/38/30/296013830.db2.gz WPWOAHMKXLNSFU-PWSUYJOCSA-N 2 2 255.362 -0.097 20 0 CBADLP C[C@@H]([NH3+])C(=O)N(CC1CC1)C[C@@H]1C[N@@H+](C)CCO1 ZINC000423881709 296013832 /nfs/dbraw/zinc/01/38/32/296013832.db2.gz WPWOAHMKXLNSFU-PWSUYJOCSA-N 2 2 255.362 -0.097 20 0 CBADLP C[C@@H]([NH3+])C[N@@H+]1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000420382916 296020061 /nfs/dbraw/zinc/02/00/61/296020061.db2.gz ZDAMPZKOIZQVJI-GHMZBOCLSA-N 2 2 263.407 -0.063 20 0 CBADLP C[C@@H]([NH3+])C[N@H+]1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000420382916 296020063 /nfs/dbraw/zinc/02/00/63/296020063.db2.gz ZDAMPZKOIZQVJI-GHMZBOCLSA-N 2 2 263.407 -0.063 20 0 CBADLP C[C@@H]([NH3+])C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000515060624 296020109 /nfs/dbraw/zinc/02/01/09/296020109.db2.gz VZHTXNHXOSTHNZ-VXGBXAGGSA-N 3 2 254.378 -0.523 20 0 CBADLP C[C@@H]([NH3+])C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000515060624 296020111 /nfs/dbraw/zinc/02/01/11/296020111.db2.gz VZHTXNHXOSTHNZ-VXGBXAGGSA-N 3 2 254.378 -0.523 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000342057261 216204611 /nfs/dbraw/zinc/20/46/11/216204611.db2.gz IBQMXGVWSPLFHZ-ZDUSSCGKSA-N 2 2 298.431 -0.101 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000342057261 216204612 /nfs/dbraw/zinc/20/46/12/216204612.db2.gz IBQMXGVWSPLFHZ-ZDUSSCGKSA-N 2 2 298.431 -0.101 20 0 CBADLP COC[C@H](C)NC(=O)NC(=O)C[NH2+]CC1([NH3+])CCC1 ZINC000342119069 216225811 /nfs/dbraw/zinc/22/58/11/216225811.db2.gz HCPQXCBEHUMCMA-VIFPVBQESA-N 2 2 272.349 -0.682 20 0 CBADLP Cn1cc(C[NH+]2CCN(C(=O)C3C[NH2+]C3)CC2)cn1 ZINC000342167669 216246148 /nfs/dbraw/zinc/24/61/48/216246148.db2.gz OQENCJVMYKZPRW-UHFFFAOYSA-N 2 2 263.345 -0.716 20 0 CBADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)C1 ZINC000351862125 296029244 /nfs/dbraw/zinc/02/92/44/296029244.db2.gz NGXNGCREZDAQPM-VWYCJHECSA-N 2 2 270.377 -0.752 20 0 CBADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)C1 ZINC000351862125 296029245 /nfs/dbraw/zinc/02/92/45/296029245.db2.gz NGXNGCREZDAQPM-VWYCJHECSA-N 2 2 270.377 -0.752 20 0 CBADLP CN(C)c1[nH+]cc(CNC(=O)NCC[NH+]2CCC2)n1C ZINC000533571363 283634130 /nfs/dbraw/zinc/63/41/30/283634130.db2.gz IPACOCOOISQOOC-UHFFFAOYSA-N 2 2 280.376 -0.009 20 0 CBADLP COC(=O)CNC(=O)[C@H](C)[N@H+](C)CCCn1cc[nH+]c1 ZINC000181080853 189287549 /nfs/dbraw/zinc/28/75/49/189287549.db2.gz VEMPNGSRBMEGHH-NSHDSACASA-N 2 2 282.344 -0.117 20 0 CBADLP COC(=O)CNC(=O)[C@H](C)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181080853 189287550 /nfs/dbraw/zinc/28/75/50/189287550.db2.gz VEMPNGSRBMEGHH-NSHDSACASA-N 2 2 282.344 -0.117 20 0 CBADLP C[NH+](C)CC(=O)N1CC[NH+](CCCn2ccnc2)CC1 ZINC000182676608 189330574 /nfs/dbraw/zinc/33/05/74/189330574.db2.gz FZHZIMDZNHPFCM-UHFFFAOYSA-N 2 2 279.388 -0.021 20 0 CBADLP C[NH+](C)CC(=O)N1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000182676608 189330575 /nfs/dbraw/zinc/33/05/75/189330575.db2.gz FZHZIMDZNHPFCM-UHFFFAOYSA-N 3 2 279.388 -0.021 20 0 CBADLP [NH3+]CC[N@H+](CCO)CCC(=O)Nc1ccc2c(c1)OCO2 ZINC000342426446 216348928 /nfs/dbraw/zinc/34/89/28/216348928.db2.gz TYUKWFDAMXZDIC-UHFFFAOYSA-N 2 2 295.339 -0.003 20 0 CBADLP [NH3+]CC[N@@H+](CCO)CCC(=O)Nc1ccc2c(c1)OCO2 ZINC000342426446 216348929 /nfs/dbraw/zinc/34/89/29/216348929.db2.gz TYUKWFDAMXZDIC-UHFFFAOYSA-N 2 2 295.339 -0.003 20 0 CBADLP CC[N@@H+]1CCOC[C@H]1C(=O)N[C@@H](C)CC[NH+]1CCOCC1 ZINC000342474786 216363862 /nfs/dbraw/zinc/36/38/62/216363862.db2.gz MWLNZVHFKAKEOS-KBPBESRZSA-N 2 2 299.415 -0.066 20 0 CBADLP CC[N@H+]1CCOC[C@H]1C(=O)N[C@@H](C)CC[NH+]1CCOCC1 ZINC000342474786 216363865 /nfs/dbraw/zinc/36/38/65/216363865.db2.gz MWLNZVHFKAKEOS-KBPBESRZSA-N 2 2 299.415 -0.066 20 0 CBADLP C[C@@H](NC(=O)C[N@H+](C)C1CC[NH2+]CC1)C(=O)N(C)C ZINC000430600259 296046425 /nfs/dbraw/zinc/04/64/25/296046425.db2.gz GYPKSTMAVNSTCO-SNVBAGLBSA-N 2 2 270.377 -0.737 20 0 CBADLP C[C@@H](NC(=O)C[N@@H+](C)C1CC[NH2+]CC1)C(=O)N(C)C ZINC000430600259 296046426 /nfs/dbraw/zinc/04/64/26/296046426.db2.gz GYPKSTMAVNSTCO-SNVBAGLBSA-N 2 2 270.377 -0.737 20 0 CBADLP C[C@@H](NC(=O)COC1C[NH2+]C1)[C@H](C)[NH+]1CCOCC1 ZINC000430718557 296050017 /nfs/dbraw/zinc/05/00/17/296050017.db2.gz CQYLUZFGGAXUNO-MNOVXSKESA-N 2 2 271.361 -0.800 20 0 CBADLP O=C(C[NH2+]C[C@@H]1CCCO1)N1CCn2cc[nH+]c2C1 ZINC000430910864 283846205 /nfs/dbraw/zinc/84/62/05/283846205.db2.gz YSKNFPRUVDOBAB-NSHDSACASA-N 2 2 264.329 -0.006 20 0 CBADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@]23C[C@H]2CC[NH2+]3)CC1 ZINC000423793562 283850572 /nfs/dbraw/zinc/85/05/72/283850572.db2.gz XEDLKQHYBLCFGM-JMSVASOKSA-N 2 2 295.383 -0.166 20 0 CBADLP O=C([C@H]1CC[NH2+]C1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000062976714 296124642 /nfs/dbraw/zinc/12/46/42/296124642.db2.gz BONGVBYNAQAAPB-NWDGAFQWSA-N 2 2 253.346 -0.471 20 0 CBADLP COC(=O)C[C@H]([NH3+])C(=O)NCCNc1cccc(C)[nH+]1 ZINC000574209947 335001060 /nfs/dbraw/zinc/00/10/60/335001060.db2.gz KCAWQAWHJNUKFE-JTQLQIEISA-N 2 2 280.328 -0.191 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](N2CCCC2=O)C1 ZINC000574336483 335011510 /nfs/dbraw/zinc/01/15/10/335011510.db2.gz QXUFXKYREZZCHP-UONOGXRCSA-N 2 2 299.415 -0.378 20 0 CBADLP CC[N@H+](C)C[C@H](O)CN1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000574336225 335011483 /nfs/dbraw/zinc/01/14/83/335011483.db2.gz LOVHPYXBGVRDPB-QLFBSQMISA-N 2 2 285.432 -0.049 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000574336225 335011486 /nfs/dbraw/zinc/01/14/86/335011486.db2.gz LOVHPYXBGVRDPB-QLFBSQMISA-N 2 2 285.432 -0.049 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000574336225 335011487 /nfs/dbraw/zinc/01/14/87/335011487.db2.gz LOVHPYXBGVRDPB-QLFBSQMISA-N 2 2 285.432 -0.049 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000574336225 335011488 /nfs/dbraw/zinc/01/14/88/335011488.db2.gz LOVHPYXBGVRDPB-QLFBSQMISA-N 2 2 285.432 -0.049 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](N2CCCC2=O)C1 ZINC000574336483 335011511 /nfs/dbraw/zinc/01/15/11/335011511.db2.gz QXUFXKYREZZCHP-UONOGXRCSA-N 2 2 299.415 -0.378 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000574336483 335011512 /nfs/dbraw/zinc/01/15/12/335011512.db2.gz QXUFXKYREZZCHP-UONOGXRCSA-N 2 2 299.415 -0.378 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000574336483 335011513 /nfs/dbraw/zinc/01/15/13/335011513.db2.gz QXUFXKYREZZCHP-UONOGXRCSA-N 2 2 299.415 -0.378 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](N2CCCC2=O)C1 ZINC000574336485 335011567 /nfs/dbraw/zinc/01/15/67/335011567.db2.gz QXUFXKYREZZCHP-ZIAGYGMSSA-N 2 2 299.415 -0.378 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](N2CCCC2=O)C1 ZINC000574336485 335011568 /nfs/dbraw/zinc/01/15/68/335011568.db2.gz QXUFXKYREZZCHP-ZIAGYGMSSA-N 2 2 299.415 -0.378 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000574336485 335011570 /nfs/dbraw/zinc/01/15/70/335011570.db2.gz QXUFXKYREZZCHP-ZIAGYGMSSA-N 2 2 299.415 -0.378 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000574336485 335011571 /nfs/dbraw/zinc/01/15/71/335011571.db2.gz QXUFXKYREZZCHP-ZIAGYGMSSA-N 2 2 299.415 -0.378 20 0 CBADLP NC(=O)NC(=O)CC[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000330752387 203191385 /nfs/dbraw/zinc/19/13/85/203191385.db2.gz IOAGKADFJYLOLB-UHFFFAOYSA-N 2 2 280.332 -0.474 20 0 CBADLP NS(=O)(=O)[C@@H]1CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000330827462 203285000 /nfs/dbraw/zinc/28/50/00/203285000.db2.gz IZPWDKKGMKVNIA-SNVBAGLBSA-N 2 2 258.347 -0.364 20 0 CBADLP NS(=O)(=O)[C@@H]1CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000330827462 203285004 /nfs/dbraw/zinc/28/50/04/203285004.db2.gz IZPWDKKGMKVNIA-SNVBAGLBSA-N 2 2 258.347 -0.364 20 0 CBADLP CC(C)[C@H](CCO)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000231041080 189812372 /nfs/dbraw/zinc/81/23/72/189812372.db2.gz KXWUDDHFBFXZEZ-LBPRGKRZSA-N 2 2 257.378 -0.243 20 0 CBADLP C[C@@H](O)C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000346579339 296167702 /nfs/dbraw/zinc/16/77/02/296167702.db2.gz TYQAAHHACJAETH-VXGBXAGGSA-N 2 2 269.389 -0.006 20 0 CBADLP C[C@@H](O)C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000346579339 296167704 /nfs/dbraw/zinc/16/77/04/296167704.db2.gz TYQAAHHACJAETH-VXGBXAGGSA-N 2 2 269.389 -0.006 20 0 CBADLP C[C@@H]1C[C@H](CO)CC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000344188445 217090025 /nfs/dbraw/zinc/09/00/25/217090025.db2.gz WCURQAMIXLJTQF-CHWSQXEVSA-N 2 2 269.389 -0.147 20 0 CBADLP C[C@@H]1C[C@H](CO)CC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000344188445 217090028 /nfs/dbraw/zinc/09/00/28/217090028.db2.gz WCURQAMIXLJTQF-CHWSQXEVSA-N 2 2 269.389 -0.147 20 0 CBADLP C[C@@H]1C[C@@H](CO)CC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000344188446 217091368 /nfs/dbraw/zinc/09/13/68/217091368.db2.gz WCURQAMIXLJTQF-OLZOCXBDSA-N 2 2 269.389 -0.147 20 0 CBADLP C[C@@H]1C[C@@H](CO)CC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000344188446 217091369 /nfs/dbraw/zinc/09/13/69/217091369.db2.gz WCURQAMIXLJTQF-OLZOCXBDSA-N 2 2 269.389 -0.147 20 0 CBADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCC[NH+]1CCN(CCO)CC1 ZINC000344303842 217141788 /nfs/dbraw/zinc/14/17/88/217141788.db2.gz CMOZOPWLCUBHFD-HOTGVXAUSA-N 3 2 298.475 -0.084 20 0 CBADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCC[NH+]1CCN(CCO)CC1 ZINC000344303842 217141791 /nfs/dbraw/zinc/14/17/91/217141791.db2.gz CMOZOPWLCUBHFD-HOTGVXAUSA-N 3 2 298.475 -0.084 20 0 CBADLP CC[NH+]1CCN(CCCNC(=O)[C@H]2[NH2+]CCO[C@@H]2C)CC1 ZINC000344310063 217145341 /nfs/dbraw/zinc/14/53/41/217145341.db2.gz HEHQGSBOLUAMPO-KGLIPLIRSA-N 2 2 298.431 -0.493 20 0 CBADLP CCN1CC[NH+](CCCNC(=O)[C@H]2[NH2+]CCO[C@@H]2C)CC1 ZINC000344310063 217145343 /nfs/dbraw/zinc/14/53/43/217145343.db2.gz HEHQGSBOLUAMPO-KGLIPLIRSA-N 2 2 298.431 -0.493 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1[NH2+]CCO[C@H]1C)C[NH+]1CCN(C)CC1 ZINC000344348732 217162879 /nfs/dbraw/zinc/16/28/79/217162879.db2.gz QNOGYIHAOJMETA-HZSPNIEDSA-N 2 2 298.431 -0.637 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1[NH2+]CCO[C@H]1C)CN1CC[NH+](C)CC1 ZINC000344348732 217162881 /nfs/dbraw/zinc/16/28/81/217162881.db2.gz QNOGYIHAOJMETA-HZSPNIEDSA-N 2 2 298.431 -0.637 20 0 CBADLP Cn1cc[nH+]c1CNC(=O)NCC[N@@H+]1CCCOCC1 ZINC000333116800 205044061 /nfs/dbraw/zinc/04/40/61/205044061.db2.gz YYPFLZTYRCLCPB-UHFFFAOYSA-N 2 2 281.360 -0.058 20 0 CBADLP Cn1cc[nH+]c1CNC(=O)NCC[N@H+]1CCCOCC1 ZINC000333116800 205044065 /nfs/dbraw/zinc/04/40/65/205044065.db2.gz YYPFLZTYRCLCPB-UHFFFAOYSA-N 2 2 281.360 -0.058 20 0 CBADLP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)NCC[NH+]1CCOCC1 ZINC000333156721 205076510 /nfs/dbraw/zinc/07/65/10/205076510.db2.gz LGLKRCDRNLWOLG-NWDGAFQWSA-N 2 2 270.377 -0.242 20 0 CBADLP CC[C@H](C(=O)NC[C@@](C)(O)C[NH+]1CCOCC1)[NH+](C)C ZINC000125387732 372795726 /nfs/dbraw/zinc/79/57/26/372795726.db2.gz LHEZPVSWHJJRCL-TZMCWYRMSA-N 2 2 287.404 -0.474 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCCO)CC1 ZINC000162241838 372820938 /nfs/dbraw/zinc/82/09/38/372820938.db2.gz OOCUWZKYYYTXPN-LBPRGKRZSA-N 2 2 255.362 -0.393 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCCO)CC1 ZINC000162241838 372820949 /nfs/dbraw/zinc/82/09/49/372820949.db2.gz OOCUWZKYYYTXPN-LBPRGKRZSA-N 2 2 255.362 -0.393 20 0 CBADLP C[C@@H](CO)[N@H+](C)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000163189087 372822965 /nfs/dbraw/zinc/82/29/65/372822965.db2.gz YGEDESNCRMOWIJ-LBPRGKRZSA-N 2 2 287.404 -0.474 20 0 CBADLP C[C@@H](CO)[N@@H+](C)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000163189087 372822973 /nfs/dbraw/zinc/82/29/73/372822973.db2.gz YGEDESNCRMOWIJ-LBPRGKRZSA-N 2 2 287.404 -0.474 20 0 CBADLP CCO[C@@H]1C[C@]([NH3+])(C(=O)NCC[NH+]2CCOCC2)C1(C)C ZINC000133805261 372800217 /nfs/dbraw/zinc/80/02/17/372800217.db2.gz MQRMJRPWTLHKIA-DOMZBBRYSA-N 2 2 299.415 -0.033 20 0 CBADLP CO[C@@H](C[NH3+])C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000353449664 220089468 /nfs/dbraw/zinc/08/94/68/220089468.db2.gz OFOLJHFUCJRHAW-JTQLQIEISA-N 2 2 259.350 -0.813 20 0 CBADLP CO[C@@H](C[NH3+])C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000353449664 220089471 /nfs/dbraw/zinc/08/94/71/220089471.db2.gz OFOLJHFUCJRHAW-JTQLQIEISA-N 2 2 259.350 -0.813 20 0 CBADLP Cc1cc(NC(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)cc[nH+]1 ZINC000333241401 205144834 /nfs/dbraw/zinc/14/48/34/205144834.db2.gz ZYPPSEIWOBLGJZ-QWRGUYRKSA-N 2 2 250.302 -0.392 20 0 CBADLP CNC(=O)[C@H]1C[N@H+](CC[C@@H]2CCC[NH+]2C)CCO1 ZINC000184068034 372845882 /nfs/dbraw/zinc/84/58/82/372845882.db2.gz NCKSHBFKKDDFGP-NWDGAFQWSA-N 2 2 255.362 -0.083 20 0 CBADLP CNC(=O)[C@H]1C[N@@H+](CC[C@@H]2CCC[NH+]2C)CCO1 ZINC000184068034 372845891 /nfs/dbraw/zinc/84/58/91/372845891.db2.gz NCKSHBFKKDDFGP-NWDGAFQWSA-N 2 2 255.362 -0.083 20 0 CBADLP CNC(=O)[C@H]1C[NH+](CC[C@@H]2CCC[N@@H+]2C)CCO1 ZINC000184068034 372845900 /nfs/dbraw/zinc/84/59/00/372845900.db2.gz NCKSHBFKKDDFGP-NWDGAFQWSA-N 2 2 255.362 -0.083 20 0 CBADLP CNC(=O)[C@H]1C[NH+](CC[C@@H]2CCC[N@H+]2C)CCO1 ZINC000184068034 372845908 /nfs/dbraw/zinc/84/59/08/372845908.db2.gz NCKSHBFKKDDFGP-NWDGAFQWSA-N 2 2 255.362 -0.083 20 0 CBADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC[NH+]1CCN(C(C)=O)CC1 ZINC000353447742 220088166 /nfs/dbraw/zinc/08/81/66/220088166.db2.gz LMBSSKLEVJHMEL-KBPBESRZSA-N 2 2 296.415 -0.345 20 0 CBADLP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)NC(N)=O)CC[C@H]21 ZINC000248001980 372889131 /nfs/dbraw/zinc/88/91/31/372889131.db2.gz KLZPONCQOTXPHR-VHSXEESVSA-N 2 2 254.334 -0.403 20 0 CBADLP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)NC(N)=O)CC[C@H]21 ZINC000248001980 372889140 /nfs/dbraw/zinc/88/91/40/372889140.db2.gz KLZPONCQOTXPHR-VHSXEESVSA-N 2 2 254.334 -0.403 20 0 CBADLP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)NC(N)=O)CC[C@H]21 ZINC000248001980 372889144 /nfs/dbraw/zinc/88/91/44/372889144.db2.gz KLZPONCQOTXPHR-VHSXEESVSA-N 2 2 254.334 -0.403 20 0 CBADLP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)NC(N)=O)CC[C@H]21 ZINC000248001980 372889154 /nfs/dbraw/zinc/88/91/54/372889154.db2.gz KLZPONCQOTXPHR-VHSXEESVSA-N 2 2 254.334 -0.403 20 0 CBADLP CNC(=O)NC(=O)CC[N@@H+]1CC[C@H](OC)C[C@H]1C[NH3+] ZINC000252784928 372897081 /nfs/dbraw/zinc/89/70/81/372897081.db2.gz YCKSLUFQGDFANG-UWVGGRQHSA-N 2 2 272.349 -0.730 20 0 CBADLP CNC(=O)NC(=O)CC[N@H+]1CC[C@H](OC)C[C@H]1C[NH3+] ZINC000252784928 372897090 /nfs/dbraw/zinc/89/70/90/372897090.db2.gz YCKSLUFQGDFANG-UWVGGRQHSA-N 2 2 272.349 -0.730 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCS[C@@H]3COCC[C@H]32)CC1 ZINC000245529030 372881248 /nfs/dbraw/zinc/88/12/48/372881248.db2.gz FJMVCKWBWPDRBE-CHWSQXEVSA-N 2 2 299.440 -0.033 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CCS[C@@H]3COCC[C@H]32)CC1 ZINC000245529030 372881263 /nfs/dbraw/zinc/88/12/63/372881263.db2.gz FJMVCKWBWPDRBE-CHWSQXEVSA-N 2 2 299.440 -0.033 20 0 CBADLP [NH3+]C[C@H]1CC[C@@H](C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)O1 ZINC000261923906 372907196 /nfs/dbraw/zinc/90/71/96/372907196.db2.gz ZAMQLQUNQJZZNR-MCIONIFRSA-N 2 2 297.399 -0.184 20 0 CBADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)[C@H](C)C[NH3+])CC1 ZINC000262437238 372909800 /nfs/dbraw/zinc/90/98/00/372909800.db2.gz ULXZHTLUEFYOSI-GFCCVEGCSA-N 2 2 284.404 -0.406 20 0 CBADLP Cc1ccc(NCCCNC(=O)[C@@H]([NH3+])CC(N)=O)[nH+]c1 ZINC000269717083 372920215 /nfs/dbraw/zinc/92/02/15/372920215.db2.gz PDRXNDVOQWLDCZ-JTQLQIEISA-N 2 2 279.344 -0.489 20 0 CBADLP C[NH+](C)[C@H](CNC(=O)[C@H]([NH3+])CC(N)=O)c1ccsc1 ZINC000353505516 220122885 /nfs/dbraw/zinc/12/28/85/220122885.db2.gz HCUHLOGISNVEKO-NXEZZACHSA-N 2 2 284.385 -0.330 20 0 CBADLP C[NH+](C)[C@@H](CNC(=O)[C@H]([NH3+])CC(N)=O)c1ccsc1 ZINC000353505519 220124003 /nfs/dbraw/zinc/12/40/03/220124003.db2.gz HCUHLOGISNVEKO-ZJUUUORDSA-N 2 2 284.385 -0.330 20 0 CBADLP CNC(=O)NC(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000331684272 372999654 /nfs/dbraw/zinc/99/96/54/372999654.db2.gz RSKBRBSPUMKTEW-CYBMUJFWSA-N 2 2 268.361 -0.140 20 0 CBADLP CNC(=O)NC(=O)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000331684272 372999659 /nfs/dbraw/zinc/99/96/59/372999659.db2.gz RSKBRBSPUMKTEW-CYBMUJFWSA-N 2 2 268.361 -0.140 20 0 CBADLP CNC(=O)NC(=O)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000331684272 372999665 /nfs/dbraw/zinc/99/96/65/372999665.db2.gz RSKBRBSPUMKTEW-CYBMUJFWSA-N 2 2 268.361 -0.140 20 0 CBADLP CNC(=O)NC(=O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000331684272 372999669 /nfs/dbraw/zinc/99/96/69/372999669.db2.gz RSKBRBSPUMKTEW-CYBMUJFWSA-N 2 2 268.361 -0.140 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000333070462 373007382 /nfs/dbraw/zinc/00/73/82/373007382.db2.gz UXKVSECEDLZJSV-GXTWGEPZSA-N 2 2 285.388 -0.720 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000333070462 373007392 /nfs/dbraw/zinc/00/73/92/373007392.db2.gz UXKVSECEDLZJSV-GXTWGEPZSA-N 2 2 285.388 -0.720 20 0 CBADLP COC(=O)[C@](C)(O)C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000330729186 372990644 /nfs/dbraw/zinc/99/06/44/372990644.db2.gz HLFDKASYRUYSIF-TZMCWYRMSA-N 2 2 286.372 -0.436 20 0 CBADLP COC(=O)[C@](C)(O)C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000330729186 372990654 /nfs/dbraw/zinc/99/06/54/372990654.db2.gz HLFDKASYRUYSIF-TZMCWYRMSA-N 2 2 286.372 -0.436 20 0 CBADLP CC[C@H](C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C)[NH+](C)C ZINC000338964219 373032194 /nfs/dbraw/zinc/03/21/94/373032194.db2.gz OYKXWJDXSSZHDN-UTUOFQBUSA-N 2 2 255.362 -0.132 20 0 CBADLP CC[C@H](C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C)[NH+](C)C ZINC000338964219 373032203 /nfs/dbraw/zinc/03/22/03/373032203.db2.gz OYKXWJDXSSZHDN-UTUOFQBUSA-N 2 2 255.362 -0.132 20 0 CBADLP C[C@@H](NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H](C)[NH+]1CCOCC1 ZINC000333462423 205339623 /nfs/dbraw/zinc/33/96/23/205339623.db2.gz ZHWVJWPJZPGXII-KVSVUVNWSA-N 2 2 282.388 -0.387 20 0 CBADLP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000333495586 205372967 /nfs/dbraw/zinc/37/29/67/205372967.db2.gz CTZKBSSKAFRHTQ-QJPTWQEYSA-N 2 2 270.377 -0.243 20 0 CBADLP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000333495586 205372971 /nfs/dbraw/zinc/37/29/71/205372971.db2.gz CTZKBSSKAFRHTQ-QJPTWQEYSA-N 2 2 270.377 -0.243 20 0 CBADLP C[N@@H+]1CCCC[C@H]1CCN1CC[NH+](CC(N)=O)CC1 ZINC000351621658 373097560 /nfs/dbraw/zinc/09/75/60/373097560.db2.gz UJLBHCDNOPJFJW-ZDUSSCGKSA-N 2 2 268.405 -0.036 20 0 CBADLP C[N@H+]1CCCC[C@H]1CCN1CC[NH+](CC(N)=O)CC1 ZINC000351621658 373097565 /nfs/dbraw/zinc/09/75/65/373097565.db2.gz UJLBHCDNOPJFJW-ZDUSSCGKSA-N 2 2 268.405 -0.036 20 0 CBADLP C[N@@H+]1CCO[C@@H]2CN(C(=O)C3([NH3+])CCCC3)C[C@@H]21 ZINC000353399398 373113774 /nfs/dbraw/zinc/11/37/74/373113774.db2.gz MUGUIPUMXDAIKC-WDEREUQCSA-N 2 2 253.346 -0.201 20 0 CBADLP C[N@H+]1CCO[C@@H]2CN(C(=O)C3([NH3+])CCCC3)C[C@@H]21 ZINC000353399398 373113781 /nfs/dbraw/zinc/11/37/81/373113781.db2.gz MUGUIPUMXDAIKC-WDEREUQCSA-N 2 2 253.346 -0.201 20 0 CBADLP C[C@H]1CCC[N@H+](Cc2cn(C)c(=O)n(C)c2=O)[C@@H]1C[NH3+] ZINC000347080394 373070285 /nfs/dbraw/zinc/07/02/85/373070285.db2.gz XMGDJISRBRQRJG-CMPLNLGQSA-N 2 2 280.372 -0.357 20 0 CBADLP C[C@H]1CCC[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)[C@@H]1C[NH3+] ZINC000347080394 373070295 /nfs/dbraw/zinc/07/02/95/373070295.db2.gz XMGDJISRBRQRJG-CMPLNLGQSA-N 2 2 280.372 -0.357 20 0 CBADLP C[NH+]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C(C)(C)C1 ZINC000347345540 373073156 /nfs/dbraw/zinc/07/31/56/373073156.db2.gz YPRYJHCLWUVFQR-LLVKDONJSA-N 2 2 255.362 -0.130 20 0 CBADLP C[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C(C)(C)C1 ZINC000347345540 373073166 /nfs/dbraw/zinc/07/31/66/373073166.db2.gz YPRYJHCLWUVFQR-LLVKDONJSA-N 2 2 255.362 -0.130 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)N2CC[N@H+](C)CC2(C)C)C1 ZINC000347345540 373073171 /nfs/dbraw/zinc/07/31/71/373073171.db2.gz YPRYJHCLWUVFQR-LLVKDONJSA-N 2 2 255.362 -0.130 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)N2CC[N@@H+](C)CC2(C)C)C1 ZINC000347345540 373073181 /nfs/dbraw/zinc/07/31/81/373073181.db2.gz YPRYJHCLWUVFQR-LLVKDONJSA-N 2 2 255.362 -0.130 20 0 CBADLP C[NH+](C)CC(=O)N1CC[NH+](CCC(C)(C)O)CC1 ZINC000360445159 373188571 /nfs/dbraw/zinc/18/85/71/373188571.db2.gz INQMPAFTFXSSBA-UHFFFAOYSA-N 2 2 257.378 -0.147 20 0 CBADLP C[N@@H+]1CC[C@](O)(CNC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000360505209 373202011 /nfs/dbraw/zinc/20/20/11/373202011.db2.gz SWEWLKNPTVUFRX-HZMBPMFUSA-N 2 2 293.371 -0.367 20 0 CBADLP C[N@H+]1CC[C@](O)(CNC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000360505209 373202013 /nfs/dbraw/zinc/20/20/13/373202013.db2.gz SWEWLKNPTVUFRX-HZMBPMFUSA-N 2 2 293.371 -0.367 20 0 CBADLP C[C@H](O)C[N@H+](C)C1CC[NH+]([C@@H]2COC[C@@H]2O)CC1 ZINC000361294197 373273652 /nfs/dbraw/zinc/27/36/52/373273652.db2.gz CWOLGEXWZYTDJU-UHTWSYAYSA-N 2 2 258.362 -0.477 20 0 CBADLP C[C@H](O)C[N@@H+](C)C1CC[NH+]([C@@H]2COC[C@@H]2O)CC1 ZINC000361294197 373273661 /nfs/dbraw/zinc/27/36/61/373273661.db2.gz CWOLGEXWZYTDJU-UHTWSYAYSA-N 2 2 258.362 -0.477 20 0 CBADLP CSCC[C@H]([NH3+])C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000353578629 220169071 /nfs/dbraw/zinc/16/90/71/220169071.db2.gz NOWGKQGBBMDASJ-QWRGUYRKSA-N 2 2 275.418 -0.096 20 0 CBADLP CSCC[C@H]([NH3+])C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000353578629 220169073 /nfs/dbraw/zinc/16/90/73/220169073.db2.gz NOWGKQGBBMDASJ-QWRGUYRKSA-N 2 2 275.418 -0.096 20 0 CBADLP CNC(=O)C[NH2+]C1CC[NH+](CCCC(=O)OC)CC1 ZINC000360964855 373252935 /nfs/dbraw/zinc/25/29/35/373252935.db2.gz AYOZOLHOWKNMNA-UHFFFAOYSA-N 2 2 271.361 -0.260 20 0 CBADLP C[C@H]([NH3+])C(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000353577000 220169943 /nfs/dbraw/zinc/16/99/43/220169943.db2.gz JMOIZFFQJRZCBE-JTQLQIEISA-N 2 2 251.334 -0.589 20 0 CBADLP C[C@@H](CNC(=O)c1ccnc(C[NH3+])c1)[NH+]1CCOCC1 ZINC000361610746 373318367 /nfs/dbraw/zinc/31/83/67/373318367.db2.gz OSAKYADOPXVAHR-NSHDSACASA-N 2 2 278.356 -0.009 20 0 CBADLP CCO[C@@H]1COCC[C@@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000362012872 373356586 /nfs/dbraw/zinc/35/65/86/373356586.db2.gz IAHHMXKKDAFCGI-QWHCGFSZSA-N 2 2 285.388 -0.456 20 0 CBADLP CC[NH+]1CCC([N@H+](C)CC(=O)NCC(=O)OC)CC1 ZINC000362180301 373373754 /nfs/dbraw/zinc/37/37/54/373373754.db2.gz IBZHEENYHFHIIP-UHFFFAOYSA-N 2 2 271.361 -0.308 20 0 CBADLP CC[NH+]1CCC([N@@H+](C)CC(=O)NCC(=O)OC)CC1 ZINC000362180301 373373763 /nfs/dbraw/zinc/37/37/63/373373763.db2.gz IBZHEENYHFHIIP-UHFFFAOYSA-N 2 2 271.361 -0.308 20 0 CBADLP C[N@H+](C1CC[NH+](CCO)CC1)[C@@H]1CCCNC1=O ZINC000362500072 373418853 /nfs/dbraw/zinc/41/88/53/373418853.db2.gz RDDGDCGBPYVQAC-GFCCVEGCSA-N 2 2 255.362 -0.347 20 0 CBADLP C[N@@H+](C1CC[NH+](CCO)CC1)[C@@H]1CCCNC1=O ZINC000362500072 373418865 /nfs/dbraw/zinc/41/88/65/373418865.db2.gz RDDGDCGBPYVQAC-GFCCVEGCSA-N 2 2 255.362 -0.347 20 0 CBADLP C[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000362496492 373419590 /nfs/dbraw/zinc/41/95/90/373419590.db2.gz CIWNLOJQPPFSLZ-VXGBXAGGSA-N 2 2 255.362 -0.130 20 0 CBADLP C[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000362496492 373419599 /nfs/dbraw/zinc/41/95/99/373419599.db2.gz CIWNLOJQPPFSLZ-VXGBXAGGSA-N 2 2 255.362 -0.130 20 0 CBADLP CN(C)c1[nH+]cc(C[NH2+][C@@]2(CO)CCOC2)n1C ZINC000362286983 373387459 /nfs/dbraw/zinc/38/74/59/373387459.db2.gz SKHATDNWAQQOIU-GFCCVEGCSA-N 2 2 254.334 -0.273 20 0 CBADLP Cn1cc(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)nn1 ZINC000362696513 373437128 /nfs/dbraw/zinc/43/71/28/373437128.db2.gz CWZDXTRWTGJTAX-LBPRGKRZSA-N 2 2 278.360 -0.789 20 0 CBADLP Cn1cc(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)nn1 ZINC000362696513 373437134 /nfs/dbraw/zinc/43/71/34/373437134.db2.gz CWZDXTRWTGJTAX-LBPRGKRZSA-N 2 2 278.360 -0.789 20 0 CBADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000362830625 373452097 /nfs/dbraw/zinc/45/20/97/373452097.db2.gz LJIFCSABYKTIER-CQSZACIVSA-N 2 2 296.415 -0.785 20 0 CBADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000362830625 373452102 /nfs/dbraw/zinc/45/21/02/373452102.db2.gz LJIFCSABYKTIER-CQSZACIVSA-N 2 2 296.415 -0.785 20 0 CBADLP CC(C)(C)NC(=O)C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362832113 373452633 /nfs/dbraw/zinc/45/26/33/373452633.db2.gz VTEDTPAENSVYAR-GFCCVEGCSA-N 2 2 296.415 -0.203 20 0 CBADLP CC(C)(C)NC(=O)C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362832113 373452638 /nfs/dbraw/zinc/45/26/38/373452638.db2.gz VTEDTPAENSVYAR-GFCCVEGCSA-N 2 2 296.415 -0.203 20 0 CBADLP CCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362836622 373452886 /nfs/dbraw/zinc/45/28/86/373452886.db2.gz IBAZZNBPVQBHSZ-OLZOCXBDSA-N 2 2 296.415 -0.203 20 0 CBADLP CCCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362836622 373452895 /nfs/dbraw/zinc/45/28/95/373452895.db2.gz IBAZZNBPVQBHSZ-OLZOCXBDSA-N 2 2 296.415 -0.203 20 0 CBADLP COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC000362965161 373467550 /nfs/dbraw/zinc/46/75/50/373467550.db2.gz ZLCQXZPLJZKGIA-JLLWLGSASA-N 2 2 294.355 -0.192 20 0 CBADLP COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC000362965161 373467561 /nfs/dbraw/zinc/46/75/61/373467561.db2.gz ZLCQXZPLJZKGIA-JLLWLGSASA-N 2 2 294.355 -0.192 20 0 CBADLP COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC000362965161 373467568 /nfs/dbraw/zinc/46/75/68/373467568.db2.gz ZLCQXZPLJZKGIA-JLLWLGSASA-N 2 2 294.355 -0.192 20 0 CBADLP COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC000362965161 373467578 /nfs/dbraw/zinc/46/75/78/373467578.db2.gz ZLCQXZPLJZKGIA-JLLWLGSASA-N 2 2 294.355 -0.192 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000362660678 373433960 /nfs/dbraw/zinc/43/39/60/373433960.db2.gz AROJMWDVWSDUEZ-UTUOFQBUSA-N 2 2 255.362 -0.369 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000362660678 373433968 /nfs/dbraw/zinc/43/39/68/373433968.db2.gz AROJMWDVWSDUEZ-UTUOFQBUSA-N 2 2 255.362 -0.369 20 0 CBADLP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000362660678 373433972 /nfs/dbraw/zinc/43/39/72/373433972.db2.gz AROJMWDVWSDUEZ-UTUOFQBUSA-N 2 2 255.362 -0.369 20 0 CBADLP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000362660678 373433980 /nfs/dbraw/zinc/43/39/80/373433980.db2.gz AROJMWDVWSDUEZ-UTUOFQBUSA-N 2 2 255.362 -0.369 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH+]2CCOC(C)(C)C2)C1 ZINC000363303348 373484863 /nfs/dbraw/zinc/48/48/63/373484863.db2.gz QANNVQBYDBIAQL-ZDUSSCGKSA-N 2 2 299.415 -0.066 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)NCC[NH+]2CCOC(C)(C)C2)C1 ZINC000363303348 373484867 /nfs/dbraw/zinc/48/48/67/373484867.db2.gz QANNVQBYDBIAQL-ZDUSSCGKSA-N 2 2 299.415 -0.066 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)NCC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000363303348 373484870 /nfs/dbraw/zinc/48/48/70/373484870.db2.gz QANNVQBYDBIAQL-ZDUSSCGKSA-N 2 2 299.415 -0.066 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)NCC[N@H+]2CCOC(C)(C)C2)C1 ZINC000363303348 373484871 /nfs/dbraw/zinc/48/48/71/373484871.db2.gz QANNVQBYDBIAQL-ZDUSSCGKSA-N 2 2 299.415 -0.066 20 0 CBADLP CCN1C[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C2CC2)CC1=O ZINC000391588943 373581133 /nfs/dbraw/zinc/58/11/33/373581133.db2.gz LCXFUSZRYVDBIJ-JQWIXIFHSA-N 2 2 255.362 -0.348 20 0 CBADLP CCN1C[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)CC1=O ZINC000391588943 373581139 /nfs/dbraw/zinc/58/11/39/373581139.db2.gz LCXFUSZRYVDBIJ-JQWIXIFHSA-N 2 2 255.362 -0.348 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H]3COC(=O)N[C@H]3C2)CC1 ZINC000376384140 373571085 /nfs/dbraw/zinc/57/10/85/373571085.db2.gz JBBMRBFLXQECJI-NEPJUHHUSA-N 2 2 296.371 -0.809 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H]3COC(=O)N[C@H]3C2)CC1 ZINC000376384140 373571102 /nfs/dbraw/zinc/57/11/02/373571102.db2.gz JBBMRBFLXQECJI-NEPJUHHUSA-N 2 2 296.371 -0.809 20 0 CBADLP C[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)CC1 ZINC000410991373 373621569 /nfs/dbraw/zinc/62/15/69/373621569.db2.gz VACKMNGTSNLSGW-CHWSQXEVSA-N 2 2 294.399 -0.687 20 0 CBADLP C[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)CC1 ZINC000410991373 373621577 /nfs/dbraw/zinc/62/15/77/373621577.db2.gz VACKMNGTSNLSGW-CHWSQXEVSA-N 2 2 294.399 -0.687 20 0 CBADLP [NH3+]C[C@@H]([NH2+]CC(=O)N1CCNC(=O)C1)C1CCCCC1 ZINC000420363476 373649953 /nfs/dbraw/zinc/64/99/53/373649953.db2.gz PFYQCTBOMNQIAB-GFCCVEGCSA-N 2 2 282.388 -0.558 20 0 CBADLP O=C(N[C@@H]1CC[NH2+]C1)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000422746854 373654132 /nfs/dbraw/zinc/65/41/32/373654132.db2.gz OOEYCEZTFRKJFQ-CHWSQXEVSA-N 2 2 267.373 -0.035 20 0 CBADLP O=C(N[C@@H]1CC[NH2+]C1)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000422746854 373654137 /nfs/dbraw/zinc/65/41/37/373654137.db2.gz OOEYCEZTFRKJFQ-CHWSQXEVSA-N 2 2 267.373 -0.035 20 0 CBADLP CNC(=O)[C@H]1CCC[C@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000408065330 373600329 /nfs/dbraw/zinc/60/03/29/373600329.db2.gz YMEZZNVQQMXTEO-NWDGAFQWSA-N 2 2 282.388 -0.735 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1[NH2+]CCO[C@@H]1C)C[NH+]1CCN(C)CC1 ZINC000493462501 373715488 /nfs/dbraw/zinc/71/54/88/373715488.db2.gz QNOGYIHAOJMETA-MJBXVCDLSA-N 2 2 298.431 -0.637 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1[NH2+]CCO[C@@H]1C)CN1CC[NH+](C)CC1 ZINC000493462501 373715491 /nfs/dbraw/zinc/71/54/91/373715491.db2.gz QNOGYIHAOJMETA-MJBXVCDLSA-N 2 2 298.431 -0.637 20 0 CBADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH2+][C@@H](C)C2)C[C@H](C)[N@@H+]1C ZINC000423671660 373660456 /nfs/dbraw/zinc/66/04/56/373660456.db2.gz CKIBYMRJIBQYTA-SDDRHHMPSA-N 2 2 282.388 -0.642 20 0 CBADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH2+][C@@H](C)C2)C[C@H](C)[N@H+]1C ZINC000423671660 373660468 /nfs/dbraw/zinc/66/04/68/373660468.db2.gz CKIBYMRJIBQYTA-SDDRHHMPSA-N 2 2 282.388 -0.642 20 0 CBADLP O=C(NC[C@@H]1C[NH+]2CCN1CC2)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000427057213 373668963 /nfs/dbraw/zinc/66/89/63/373668963.db2.gz OCJIFGLUJUQBBW-KGLIPLIRSA-N 2 2 278.400 -0.271 20 0 CBADLP O=C(NC[C@@H]1C[NH+]2CCN1CC2)[C@@H]1CCC[N@H+]1C1CC1 ZINC000427057213 373668967 /nfs/dbraw/zinc/66/89/67/373668967.db2.gz OCJIFGLUJUQBBW-KGLIPLIRSA-N 2 2 278.400 -0.271 20 0 CBADLP O=C(NC[C@H]1C[NH+]2CCN1CC2)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000427057212 373669351 /nfs/dbraw/zinc/66/93/51/373669351.db2.gz OCJIFGLUJUQBBW-KBPBESRZSA-N 2 2 278.400 -0.271 20 0 CBADLP O=C(NC[C@H]1C[NH+]2CCN1CC2)[C@@H]1CCC[N@H+]1C1CC1 ZINC000427057212 373669359 /nfs/dbraw/zinc/66/93/59/373669359.db2.gz OCJIFGLUJUQBBW-KBPBESRZSA-N 2 2 278.400 -0.271 20 0 CBADLP C[NH+](C[C@H](O)C[N@@H+](C)[C@H]1CCOC1)[C@@H]1CCOC1 ZINC000447351950 373686310 /nfs/dbraw/zinc/68/63/10/373686310.db2.gz VIGLERZMZWQBSE-ITGUQSILSA-N 2 2 258.362 -0.211 20 0 CBADLP C[NH+](C[C@H](O)C[N@H+](C)[C@H]1CCOC1)[C@@H]1CCOC1 ZINC000447351950 373686323 /nfs/dbraw/zinc/68/63/23/373686323.db2.gz VIGLERZMZWQBSE-ITGUQSILSA-N 2 2 258.362 -0.211 20 0 CBADLP C[NH+](C[C@@H](O)C[N@H+](C)[C@@H]1CCOC1)[C@H]1CCOC1 ZINC000447351950 373686335 /nfs/dbraw/zinc/68/63/35/373686335.db2.gz VIGLERZMZWQBSE-ITGUQSILSA-N 2 2 258.362 -0.211 20 0 CBADLP C[NH+](C[C@@H](O)C[N@@H+](C)[C@@H]1CCOC1)[C@H]1CCOC1 ZINC000447351950 373686343 /nfs/dbraw/zinc/68/63/43/373686343.db2.gz VIGLERZMZWQBSE-ITGUQSILSA-N 2 2 258.362 -0.211 20 0 CBADLP COC(=O)c1coc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c1 ZINC000514872886 373770870 /nfs/dbraw/zinc/77/08/70/373770870.db2.gz IQGBSRRBYIZBAX-ZYHUDNBSSA-N 2 2 293.323 -0.190 20 0 CBADLP COC(=O)c1coc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c1 ZINC000514872886 373770874 /nfs/dbraw/zinc/77/08/74/373770874.db2.gz IQGBSRRBYIZBAX-ZYHUDNBSSA-N 2 2 293.323 -0.190 20 0 CBADLP CCn1cc[nH+]c1/C=C\C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000493818273 373731194 /nfs/dbraw/zinc/73/11/94/373731194.db2.gz SGWRZOQIUULXOL-RXNFCKPNSA-N 2 2 277.372 -0.064 20 0 CBADLP CCn1cc[nH+]c1/C=C\C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000493818272 373731464 /nfs/dbraw/zinc/73/14/64/373731464.db2.gz SGWRZOQIUULXOL-QMAVJUDZSA-N 2 2 277.372 -0.064 20 0 CBADLP CCn1cc[nH+]c1/C=C/C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000493852184 373733587 /nfs/dbraw/zinc/73/35/87/373733587.db2.gz VDNDOUAJYNWGRQ-ONEGZZNKSA-N 2 2 291.355 -0.536 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@@H](C)[C@H](C)[NH3+])CC1 ZINC000493897165 373735381 /nfs/dbraw/zinc/73/53/81/373735381.db2.gz LZRCJVIRBFZQLW-QWRGUYRKSA-N 2 2 270.377 -0.750 20 0 CBADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCC(=O)NC(N)=O)C1 ZINC000514742251 373763557 /nfs/dbraw/zinc/76/35/57/373763557.db2.gz QUYKEHNQHOROKB-SECBINFHSA-N 2 2 265.317 -0.206 20 0 CBADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCC(=O)NC(N)=O)C1 ZINC000514742251 373763561 /nfs/dbraw/zinc/76/35/61/373763561.db2.gz QUYKEHNQHOROKB-SECBINFHSA-N 2 2 265.317 -0.206 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000516177958 373804029 /nfs/dbraw/zinc/80/40/29/373804029.db2.gz FIORTYCYBJOLMS-OCCSQVGLSA-N 2 2 267.373 -0.223 20 0 CBADLP Cc1[nH+]cc(C[NH2+][C@H]2CCN(S(C)(=O)=O)C2)n1C ZINC000519835401 373827285 /nfs/dbraw/zinc/82/72/85/373827285.db2.gz XXMRCQOZGYTYDK-JTQLQIEISA-N 2 2 272.374 -0.148 20 0 CBADLP C[C@@H](C[NH2+]CCC(=O)NC(N)=O)C[NH+]1CCOCC1 ZINC000520798058 373832122 /nfs/dbraw/zinc/83/21/22/373832122.db2.gz NPLZYLNUMBEUPS-JTQLQIEISA-N 2 2 272.349 -0.871 20 0 CBADLP COc1c(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c(C)nn1C ZINC000520839486 373834782 /nfs/dbraw/zinc/83/47/82/373834782.db2.gz GUSZHVMCRTUWAS-CMPLNLGQSA-N 2 2 293.371 -0.519 20 0 CBADLP COc1c(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c(C)nn1C ZINC000520839486 373834790 /nfs/dbraw/zinc/83/47/90/373834790.db2.gz GUSZHVMCRTUWAS-CMPLNLGQSA-N 2 2 293.371 -0.519 20 0 CBADLP C[C@H](C[C@H](C)[NH3+])NC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000515299218 373781202 /nfs/dbraw/zinc/78/12/02/373781202.db2.gz SUCDSJCLBGGCSC-WDEREUQCSA-N 2 2 299.419 -0.297 20 0 CBADLP C[C@@H]([NH3+])C[C@H](C)NC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000515299216 373781950 /nfs/dbraw/zinc/78/19/50/373781950.db2.gz SUCDSJCLBGGCSC-MNOVXSKESA-N 2 2 299.419 -0.297 20 0 CBADLP CN1CC[N@H+](C)[C@@H](CNC(=O)N[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000524466078 373885114 /nfs/dbraw/zinc/88/51/14/373885114.db2.gz NXOOOGUSRZDAPK-JSGCOSHPSA-N 2 2 295.431 -0.232 20 0 CBADLP CN1CC[N@@H+](C)[C@@H](CNC(=O)N[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000524466078 373885118 /nfs/dbraw/zinc/88/51/18/373885118.db2.gz NXOOOGUSRZDAPK-JSGCOSHPSA-N 2 2 295.431 -0.232 20 0 CBADLP CN1CC[NH+](C)[C@@H](CNC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000524466078 373885124 /nfs/dbraw/zinc/88/51/24/373885124.db2.gz NXOOOGUSRZDAPK-JSGCOSHPSA-N 2 2 295.431 -0.232 20 0 CBADLP CN1CC[NH+](C)[C@@H](CNC(=O)N[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000524466078 373885130 /nfs/dbraw/zinc/88/51/30/373885130.db2.gz NXOOOGUSRZDAPK-JSGCOSHPSA-N 2 2 295.431 -0.232 20 0 CBADLP CN1CC[N@H+](C)[C@H](CNC(=O)NCC[NH+]2CC=CCC2)C1 ZINC000525990028 373893804 /nfs/dbraw/zinc/89/38/04/373893804.db2.gz GJKQPPGJQWIMCN-CQSZACIVSA-N 2 2 295.431 -0.207 20 0 CBADLP CN1CC[NH+](C)[C@H](CNC(=O)NCC[N@H+]2CC=CCC2)C1 ZINC000525990028 373893821 /nfs/dbraw/zinc/89/38/21/373893821.db2.gz GJKQPPGJQWIMCN-CQSZACIVSA-N 2 2 295.431 -0.207 20 0 CBADLP CN1CC[NH+](C)[C@H](CNC(=O)NCC[N@@H+]2CC=CCC2)C1 ZINC000525990028 373893828 /nfs/dbraw/zinc/89/38/28/373893828.db2.gz GJKQPPGJQWIMCN-CQSZACIVSA-N 2 2 295.431 -0.207 20 0 CBADLP C[N@@H+]1CCN(C(=O)Cc2cccc(N)c2)[C@@H](C[NH3+])C1 ZINC000521620894 373846847 /nfs/dbraw/zinc/84/68/47/373846847.db2.gz UFDSWSCVSXMDQI-ZDUSSCGKSA-N 2 2 262.357 -0.087 20 0 CBADLP C[N@H+]1CCN(C(=O)Cc2cccc(N)c2)[C@@H](C[NH3+])C1 ZINC000521620894 373846852 /nfs/dbraw/zinc/84/68/52/373846852.db2.gz UFDSWSCVSXMDQI-ZDUSSCGKSA-N 2 2 262.357 -0.087 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC([C@H](O)C(=O)OC)CC1 ZINC000521893966 373854066 /nfs/dbraw/zinc/85/40/66/373854066.db2.gz DQQCUBUPNXBVOL-OLZOCXBDSA-N 2 2 288.388 -0.455 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC([C@H](O)C(=O)OC)CC1 ZINC000521893966 373854074 /nfs/dbraw/zinc/85/40/74/373854074.db2.gz DQQCUBUPNXBVOL-OLZOCXBDSA-N 2 2 288.388 -0.455 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)[C@@H]2CCC[NH+]2C)CCO1 ZINC000522248455 373865537 /nfs/dbraw/zinc/86/55/37/373865537.db2.gz SDSXAUPSFXZAIT-RYUDHWBXSA-N 2 2 255.362 -0.083 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)[C@@H]2CCC[NH+]2C)CCO1 ZINC000522248455 373865544 /nfs/dbraw/zinc/86/55/44/373865544.db2.gz SDSXAUPSFXZAIT-RYUDHWBXSA-N 2 2 255.362 -0.083 20 0 CBADLP C[C@H]1C[NH+](CCNC(=O)[C@@H]2CCC[N@@H+]2C)CCO1 ZINC000522248455 373865550 /nfs/dbraw/zinc/86/55/50/373865550.db2.gz SDSXAUPSFXZAIT-RYUDHWBXSA-N 2 2 255.362 -0.083 20 0 CBADLP C[C@H]1C[NH+](CCNC(=O)[C@@H]2CCC[N@H+]2C)CCO1 ZINC000522248455 373865555 /nfs/dbraw/zinc/86/55/55/373865555.db2.gz SDSXAUPSFXZAIT-RYUDHWBXSA-N 2 2 255.362 -0.083 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH+]1CCN(C)CC1 ZINC000522265193 373867346 /nfs/dbraw/zinc/86/73/46/373867346.db2.gz LHEKIAZQPLVZJH-STQMWFEESA-N 2 2 268.405 -0.310 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH+]1CCN(C)CC1 ZINC000522265193 373867353 /nfs/dbraw/zinc/86/73/53/373867353.db2.gz LHEKIAZQPLVZJH-STQMWFEESA-N 2 2 268.405 -0.310 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2C[C@@H](CO)[C@H](CO)C2)CC1 ZINC000528610455 373962239 /nfs/dbraw/zinc/96/22/39/373962239.db2.gz ZDMOLJBWDUSVHV-IHRRRGAJSA-N 2 2 299.415 -0.928 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H](C)[NH+](CCO)C[C@H]2C)O1 ZINC000527559583 373932213 /nfs/dbraw/zinc/93/22/13/373932213.db2.gz UCKAKJHNEVQTPW-AAVRWANBSA-N 2 2 299.415 -0.381 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H](C)[NH+](CCO)C[C@H]2C)O1 ZINC000527559583 373932220 /nfs/dbraw/zinc/93/22/20/373932220.db2.gz UCKAKJHNEVQTPW-AAVRWANBSA-N 2 2 299.415 -0.381 20 0 CBADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H](C)[N@H+](CCO)C[C@H]2C)O1 ZINC000527559583 373932228 /nfs/dbraw/zinc/93/22/28/373932228.db2.gz UCKAKJHNEVQTPW-AAVRWANBSA-N 2 2 299.415 -0.381 20 0 CBADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)O1 ZINC000527559583 373932235 /nfs/dbraw/zinc/93/22/35/373932235.db2.gz UCKAKJHNEVQTPW-AAVRWANBSA-N 2 2 299.415 -0.381 20 0 CBADLP CNC(=O)NC[C@H]1C[N@H+](CCCc2c[nH+]cn2C)CCO1 ZINC000528622178 373964068 /nfs/dbraw/zinc/96/40/68/373964068.db2.gz PEIDJCCYRXWCAS-ZDUSSCGKSA-N 2 2 295.387 -0.018 20 0 CBADLP CNC(=O)NC[C@H]1C[N@@H+](CCCc2c[nH+]cn2C)CCO1 ZINC000528622178 373964075 /nfs/dbraw/zinc/96/40/75/373964075.db2.gz PEIDJCCYRXWCAS-ZDUSSCGKSA-N 2 2 295.387 -0.018 20 0 CBADLP CN(C)c1[nH+]cccc1CNC(=O)NC[C@H]1COCC[NH2+]1 ZINC000529290874 373997655 /nfs/dbraw/zinc/99/76/55/373997655.db2.gz FIMJHXXHBMZZCT-LBPRGKRZSA-N 2 2 293.371 -0.065 20 0 CBADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000529376247 374016947 /nfs/dbraw/zinc/01/69/47/374016947.db2.gz MLNUDOFEYYCXOB-NEPJUHHUSA-N 2 2 293.371 -0.093 20 0 CBADLP O=C(N1CC[NH2+]CC1)N1CC[NH+](CCn2cccn2)CC1 ZINC000530221575 374066781 /nfs/dbraw/zinc/06/67/81/374066781.db2.gz FTLCUCQYJUTYBI-UHFFFAOYSA-N 2 2 292.387 -0.474 20 0 CBADLP CN1CCC[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)C1=O ZINC000530230648 374068498 /nfs/dbraw/zinc/06/84/98/374068498.db2.gz BWTYNZPCOGETNA-RYUDHWBXSA-N 2 2 255.362 -0.347 20 0 CBADLP Cn1nnnc1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530242424 374069483 /nfs/dbraw/zinc/06/94/83/374069483.db2.gz USFJAMPVCHQCCB-LBPRGKRZSA-N 2 2 280.376 -0.199 20 0 CBADLP O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)C1CC[NH2+]CC1 ZINC000353678718 220250603 /nfs/dbraw/zinc/25/06/03/220250603.db2.gz LUFZJYYEKHRNPB-ZDUSSCGKSA-N 2 2 267.373 -0.035 20 0 CBADLP O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)C1CC[NH2+]CC1 ZINC000353678718 220250604 /nfs/dbraw/zinc/25/06/04/220250604.db2.gz LUFZJYYEKHRNPB-ZDUSSCGKSA-N 2 2 267.373 -0.035 20 0 CBADLP O=C(C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2)N1CCNC(=O)C1 ZINC000579710217 374354537 /nfs/dbraw/zinc/35/45/37/374354537.db2.gz GQHCHORRKSSOAJ-CQSZACIVSA-N 2 2 280.372 -0.980 20 0 CBADLP O=C(C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)N1CCNC(=O)C1 ZINC000579710217 374354543 /nfs/dbraw/zinc/35/45/43/374354543.db2.gz GQHCHORRKSSOAJ-CQSZACIVSA-N 2 2 280.372 -0.980 20 0 CBADLP C[C@@H]([NH3+])c1ccc(CNC(=O)CN2CC[NH2+]CC2=O)cc1 ZINC000583311654 374362025 /nfs/dbraw/zinc/36/20/25/374362025.db2.gz AUQZTWXIZKCNFW-LLVKDONJSA-N 2 2 290.367 -0.246 20 0 CBADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCO[C@@H]2C2CC2)[C@@H](C[NH3+])C1 ZINC000583742295 374365619 /nfs/dbraw/zinc/36/56/19/374365619.db2.gz FCVXLJYZRMFEOB-YNEHKIRRSA-N 2 2 282.388 -0.162 20 0 CBADLP C[N@H+]1CCN(C(=O)N[C@@H]2CCO[C@@H]2C2CC2)[C@@H](C[NH3+])C1 ZINC000583742295 374365624 /nfs/dbraw/zinc/36/56/24/374365624.db2.gz FCVXLJYZRMFEOB-YNEHKIRRSA-N 2 2 282.388 -0.162 20 0 CBADLP COCC[NH2+]CCNC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000583764852 374367466 /nfs/dbraw/zinc/36/74/66/374367466.db2.gz XDSGIMFQPMJRQX-UHFFFAOYSA-N 2 2 255.322 -0.213 20 0 CBADLP COCC[NH2+]CCNC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000583764852 374367472 /nfs/dbraw/zinc/36/74/72/374367472.db2.gz XDSGIMFQPMJRQX-UHFFFAOYSA-N 2 2 255.322 -0.213 20 0 CBADLP CN(C)c1ncc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cn1 ZINC000583764170 374368190 /nfs/dbraw/zinc/36/81/90/374368190.db2.gz ZFRRJUPOILKRMH-NWDGAFQWSA-N 2 2 290.371 -0.714 20 0 CBADLP CN(C)c1ncc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cn1 ZINC000583764170 374368192 /nfs/dbraw/zinc/36/81/92/374368192.db2.gz ZFRRJUPOILKRMH-NWDGAFQWSA-N 2 2 290.371 -0.714 20 0 CBADLP CN(C)c1ncc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cn1 ZINC000583764171 374368219 /nfs/dbraw/zinc/36/82/19/374368219.db2.gz ZFRRJUPOILKRMH-RYUDHWBXSA-N 2 2 290.371 -0.714 20 0 CBADLP CN(C)c1ncc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cn1 ZINC000583764171 374368222 /nfs/dbraw/zinc/36/82/22/374368222.db2.gz ZFRRJUPOILKRMH-RYUDHWBXSA-N 2 2 290.371 -0.714 20 0 CBADLP CC(C)C(=O)N1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000584412111 374371283 /nfs/dbraw/zinc/37/12/83/374371283.db2.gz VRICNGMVZZMUJA-UHFFFAOYSA-N 2 2 268.405 -0.308 20 0 CBADLP CC(C)CCNC(=O)[C@H](C)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000584422454 374373333 /nfs/dbraw/zinc/37/33/33/374373333.db2.gz XPFULNGGOCRSFU-YNEHKIRRSA-N 2 2 296.415 -0.219 20 0 CBADLP CC(C)CCNC(=O)[C@H](C)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000584422454 374373344 /nfs/dbraw/zinc/37/33/44/374373344.db2.gz XPFULNGGOCRSFU-YNEHKIRRSA-N 2 2 296.415 -0.219 20 0 CBADLP COCCOC[C@@H](O)C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000644562470 374595087 /nfs/dbraw/zinc/59/50/87/374595087.db2.gz TWBNMULIIFNXJF-LBPRGKRZSA-N 2 2 286.376 -0.400 20 0 CBADLP O[C@H](CN[C@@H]1CC[N@H+](CC2CC2)C1)C[NH+]1CCOCC1 ZINC000644556394 374595133 /nfs/dbraw/zinc/59/51/33/374595133.db2.gz DEWWGEJVMKDGLL-HUUCEWRRSA-N 2 2 283.416 -0.247 20 0 CBADLP O[C@H](CN[C@@H]1CC[N@@H+](CC2CC2)C1)C[NH+]1CCOCC1 ZINC000644556394 374595137 /nfs/dbraw/zinc/59/51/37/374595137.db2.gz DEWWGEJVMKDGLL-HUUCEWRRSA-N 2 2 283.416 -0.247 20 0 CBADLP C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)[C@H]1CN(C)CCO1 ZINC000644602937 374600949 /nfs/dbraw/zinc/60/09/49/374600949.db2.gz VORCDGDEMMNRDJ-IACUBPJLSA-N 2 2 271.405 -0.250 20 0 CBADLP C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)[C@H]1CN(C)CCO1 ZINC000644602937 374600952 /nfs/dbraw/zinc/60/09/52/374600952.db2.gz VORCDGDEMMNRDJ-IACUBPJLSA-N 2 2 271.405 -0.250 20 0 CBADLP C[C@H](NC[C@@H](O)C[N@H+](C)C1CC1)[C@H]1C[NH+](C)CCO1 ZINC000644602937 374600957 /nfs/dbraw/zinc/60/09/57/374600957.db2.gz VORCDGDEMMNRDJ-IACUBPJLSA-N 2 2 271.405 -0.250 20 0 CBADLP C[C@H](NC[C@@H](O)C[N@@H+](C)C1CC1)[C@H]1C[NH+](C)CCO1 ZINC000644602937 374600963 /nfs/dbraw/zinc/60/09/63/374600963.db2.gz VORCDGDEMMNRDJ-IACUBPJLSA-N 2 2 271.405 -0.250 20 0 CBADLP C[C@H](NC[C@@H](O)C[NH+](C)C1CC1)[C@H]1C[N@H+](C)CCO1 ZINC000644602937 374600968 /nfs/dbraw/zinc/60/09/68/374600968.db2.gz VORCDGDEMMNRDJ-IACUBPJLSA-N 2 2 271.405 -0.250 20 0 CBADLP C[C@H](NC[C@@H](O)C[NH+](C)C1CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000644602937 374600973 /nfs/dbraw/zinc/60/09/73/374600973.db2.gz VORCDGDEMMNRDJ-IACUBPJLSA-N 2 2 271.405 -0.250 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000645103703 374643327 /nfs/dbraw/zinc/64/33/27/374643327.db2.gz AADLUEQLKSEEGB-CHWSQXEVSA-N 2 2 294.399 -0.591 20 0 CBADLP CN1C[C@@H]2CC[N@H+](CCC(=O)N3CC[NH+](C)CC3)[C@@H]2C1 ZINC000644728642 374614260 /nfs/dbraw/zinc/61/42/60/374614260.db2.gz IVAGRZXTJRKHEI-UONOGXRCSA-N 2 2 280.416 -0.214 20 0 CBADLP CN1C[C@@H]2CC[N@@H+](CCC(=O)N3CC[NH+](C)CC3)[C@@H]2C1 ZINC000644728642 374614273 /nfs/dbraw/zinc/61/42/73/374614273.db2.gz IVAGRZXTJRKHEI-UONOGXRCSA-N 2 2 280.416 -0.214 20 0 CBADLP C[N@@H+]1C[C@@H]2CCN(CCC(=O)N3CC[NH+](C)CC3)[C@@H]2C1 ZINC000644728642 374614283 /nfs/dbraw/zinc/61/42/83/374614283.db2.gz IVAGRZXTJRKHEI-UONOGXRCSA-N 2 2 280.416 -0.214 20 0 CBADLP C[N@H+]1C[C@@H]2CCN(CCC(=O)N3CC[NH+](C)CC3)[C@@H]2C1 ZINC000644728642 374614288 /nfs/dbraw/zinc/61/42/88/374614288.db2.gz IVAGRZXTJRKHEI-UONOGXRCSA-N 2 2 280.416 -0.214 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1[NH2+]CC1(C)C ZINC000645505455 374678187 /nfs/dbraw/zinc/67/81/87/374678187.db2.gz DTCDKKPQXNJLAC-GHMZBOCLSA-N 2 2 255.362 -0.179 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]1[NH2+]CC1(C)C ZINC000645505461 374678892 /nfs/dbraw/zinc/67/88/92/374678892.db2.gz DTCDKKPQXNJLAC-WDEREUQCSA-N 2 2 255.362 -0.179 20 0 CBADLP C[NH+](C)C[C@@H](CO)NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000646212092 374757893 /nfs/dbraw/zinc/75/78/93/374757893.db2.gz OPPNUSGVSVWXEW-JSGCOSHPSA-N 2 2 299.415 -0.332 20 0 CBADLP C[NH+](C)C[C@@H](CO)NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000646212092 374757898 /nfs/dbraw/zinc/75/78/98/374757898.db2.gz OPPNUSGVSVWXEW-JSGCOSHPSA-N 2 2 299.415 -0.332 20 0 CBADLP Cn1cnc(CCCNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])n1 ZINC000646217714 374759502 /nfs/dbraw/zinc/75/95/02/374759502.db2.gz NATJFTXOJKYJCI-LLVKDONJSA-N 2 2 295.391 -0.968 20 0 CBADLP Cn1cnc(CCCNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])n1 ZINC000646217714 374759510 /nfs/dbraw/zinc/75/95/10/374759510.db2.gz NATJFTXOJKYJCI-LLVKDONJSA-N 2 2 295.391 -0.968 20 0 CBADLP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)CC[NH+]1CCOCC1 ZINC000645886897 374711168 /nfs/dbraw/zinc/71/11/68/374711168.db2.gz IBRSSXKEAJHZKN-RYUDHWBXSA-N 2 2 255.362 -0.225 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)C[C@H]1CC[NH2+]C1 ZINC000645887025 374711781 /nfs/dbraw/zinc/71/17/81/374711781.db2.gz OTTXGENHIZKCOL-GFCCVEGCSA-N 2 2 255.362 -0.223 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@H]1[NH2+]CC1(C)C ZINC000645932841 374713004 /nfs/dbraw/zinc/71/30/04/374713004.db2.gz MJEYRIWRPBNEFE-WDEREUQCSA-N 2 2 255.362 -0.179 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1[NH2+]CC1(C)C ZINC000645932838 374713163 /nfs/dbraw/zinc/71/31/63/374713163.db2.gz MJEYRIWRPBNEFE-GHMZBOCLSA-N 2 2 255.362 -0.179 20 0 CBADLP Cn1cc[nH+]c1CN1CCN(C(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC000645944077 374716915 /nfs/dbraw/zinc/71/69/15/374716915.db2.gz KXSFJKDDPDJFBU-LBPRGKRZSA-N 2 2 293.371 -0.947 20 0 CBADLP C[C@H](C[NH3+])C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000645978121 374720642 /nfs/dbraw/zinc/72/06/42/374720642.db2.gz SNOMYCKMLFPCEN-NEPJUHHUSA-N 3 2 268.405 -0.134 20 0 CBADLP C[C@H](C[NH3+])C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000645978121 374720648 /nfs/dbraw/zinc/72/06/48/374720648.db2.gz SNOMYCKMLFPCEN-NEPJUHHUSA-N 3 2 268.405 -0.134 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@H]3CC[NH2+]3)C2)CC1 ZINC000645977752 374720752 /nfs/dbraw/zinc/72/07/52/374720752.db2.gz KYWVUKOKOKEHRG-WCQYABFASA-N 3 2 266.389 -0.367 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@H]3CC[NH2+]3)C2)CC1 ZINC000645977752 374720757 /nfs/dbraw/zinc/72/07/57/374720757.db2.gz KYWVUKOKOKEHRG-WCQYABFASA-N 3 2 266.389 -0.367 20 0 CBADLP [NH3+]CCOCC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000646103115 374740126 /nfs/dbraw/zinc/74/01/26/374740126.db2.gz BYILVAKVMAORED-GFCCVEGCSA-N 2 2 271.361 -0.715 20 0 CBADLP [NH3+]CCOCC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000646116433 374742335 /nfs/dbraw/zinc/74/23/35/374742335.db2.gz SHXJQYSXISPETF-CYBMUJFWSA-N 2 2 285.388 -0.325 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000646118527 374742541 /nfs/dbraw/zinc/74/25/41/374742541.db2.gz FIWFQBAABHVFDK-CQSZACIVSA-N 2 2 291.399 -0.141 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000646118527 374742547 /nfs/dbraw/zinc/74/25/47/374742547.db2.gz FIWFQBAABHVFDK-CQSZACIVSA-N 2 2 291.399 -0.141 20 0 CBADLP C[N@@H+]1CCN(C(=O)[C@H]2C[NH2+]Cc3ccccc32)[C@H](C[NH3+])C1 ZINC000646835439 374821535 /nfs/dbraw/zinc/82/15/35/374821535.db2.gz CSCALOWXYVFNKC-HIFRSBDPSA-N 3 2 288.395 -0.025 20 0 CBADLP C[N@H+]1CCN(C(=O)[C@H]2C[NH2+]Cc3ccccc32)[C@H](C[NH3+])C1 ZINC000646835439 374821541 /nfs/dbraw/zinc/82/15/41/374821541.db2.gz CSCALOWXYVFNKC-HIFRSBDPSA-N 3 2 288.395 -0.025 20 0 CBADLP C[N@@H+]1CCN(C(=O)[C@@H]2C[NH2+]Cc3ccccc32)[C@H](C[NH3+])C1 ZINC000646835440 374822150 /nfs/dbraw/zinc/82/21/50/374822150.db2.gz CSCALOWXYVFNKC-UKRRQHHQSA-N 3 2 288.395 -0.025 20 0 CBADLP C[N@H+]1CCN(C(=O)[C@@H]2C[NH2+]Cc3ccccc32)[C@H](C[NH3+])C1 ZINC000646835440 374822156 /nfs/dbraw/zinc/82/21/56/374822156.db2.gz CSCALOWXYVFNKC-UKRRQHHQSA-N 3 2 288.395 -0.025 20 0 CBADLP C[C@H]1CN(C(=O)c2cc([C@H]3CC[NH2+]C3)[nH]n2)CC[NH2+]1 ZINC000646332395 374770737 /nfs/dbraw/zinc/77/07/37/374770737.db2.gz UFNDNFGQDACWTM-UWVGGRQHSA-N 2 2 263.345 -0.080 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC(C[NH+]3CCOCC3)C2)C1 ZINC000646355072 374771911 /nfs/dbraw/zinc/77/19/11/374771911.db2.gz BCZWVPWLRLZKQU-CYBMUJFWSA-N 2 2 283.372 -0.892 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N2CC(C[NH+]3CCOCC3)C2)C1 ZINC000646355072 374771919 /nfs/dbraw/zinc/77/19/19/374771919.db2.gz BCZWVPWLRLZKQU-CYBMUJFWSA-N 2 2 283.372 -0.892 20 0 CBADLP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000646473828 374780783 /nfs/dbraw/zinc/78/07/83/374780783.db2.gz VCMYNEKFPYEAMP-IJLUTSLNSA-N 2 2 255.362 -0.132 20 0 CBADLP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000646473828 374780785 /nfs/dbraw/zinc/78/07/85/374780785.db2.gz VCMYNEKFPYEAMP-IJLUTSLNSA-N 2 2 255.362 -0.132 20 0 CBADLP COc1cc[nH+]cc1CNC(=O)CN1CC[NH+](C)CC1 ZINC000647068501 374879119 /nfs/dbraw/zinc/87/91/19/374879119.db2.gz SZUBNTBFTIUJPQ-UHFFFAOYSA-N 2 2 278.356 -0.046 20 0 CBADLP C[N@@H+]1C[C@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC000646925951 374841820 /nfs/dbraw/zinc/84/18/20/374841820.db2.gz XILDOHMBXPJVHG-UTUOFQBUSA-N 2 2 253.346 -0.521 20 0 CBADLP C[N@H+]1C[C@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC000646925951 374841822 /nfs/dbraw/zinc/84/18/22/374841822.db2.gz XILDOHMBXPJVHG-UTUOFQBUSA-N 2 2 253.346 -0.521 20 0 CBADLP C[NH+]1C[C@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC000646925951 374841824 /nfs/dbraw/zinc/84/18/24/374841824.db2.gz XILDOHMBXPJVHG-UTUOFQBUSA-N 2 2 253.346 -0.521 20 0 CBADLP C[NH+]1C[C@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC000646925951 374841826 /nfs/dbraw/zinc/84/18/26/374841826.db2.gz XILDOHMBXPJVHG-UTUOFQBUSA-N 2 2 253.346 -0.521 20 0 CBADLP C[NH+](C)C[C@](C)(O)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000646937295 374843544 /nfs/dbraw/zinc/84/35/44/374843544.db2.gz JIGAUNPIJFIESP-SMDDNHRTSA-N 2 2 280.372 -0.126 20 0 CBADLP CC[C@@H]1CN(C(=O)CN2CC[NH2+]CC2=O)CC[C@@H]1[NH3+] ZINC000647014709 374860432 /nfs/dbraw/zinc/86/04/32/374860432.db2.gz AMDFCJWYEBCQMI-MNOVXSKESA-N 2 2 268.361 -0.996 20 0 CBADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)[C@H]1CCC[NH2+]1 ZINC000261697937 190042930 /nfs/dbraw/zinc/04/29/30/190042930.db2.gz LIVNMWCJLPYLJX-CYBMUJFWSA-N 2 2 293.371 -0.094 20 0 CBADLP C[NH2+][C@H](C(=O)N[C@@H](C)C[NH+]1CCOCC1)c1cnn(C)c1 ZINC000262532626 190057233 /nfs/dbraw/zinc/05/72/33/190057233.db2.gz MFBZLXHDDCPTFB-AAEUAGOBSA-N 2 2 295.387 -0.483 20 0 CBADLP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N(C)Cc1[nH+]ccn1C ZINC000355328373 248177860 /nfs/dbraw/zinc/17/78/60/248177860.db2.gz ZDKNLXWVFOYLMZ-NSHDSACASA-N 2 2 295.387 -0.165 20 0 CBADLP [NH3+]CCOCC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000357029709 248313916 /nfs/dbraw/zinc/31/39/16/248313916.db2.gz OPJKAZKEDNXEKU-GFCCVEGCSA-N 2 2 271.361 -0.715 20 0 CBADLP C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357079909 248318420 /nfs/dbraw/zinc/31/84/20/248318420.db2.gz DIUOOFPOAOPYBN-VWYCJHECSA-N 2 2 280.372 -0.096 20 0 CBADLP C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357079909 248318423 /nfs/dbraw/zinc/31/84/23/248318423.db2.gz DIUOOFPOAOPYBN-VWYCJHECSA-N 2 2 280.372 -0.096 20 0 CBADLP CCS(=O)(=O)NCC[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357081323 248320017 /nfs/dbraw/zinc/32/00/17/248320017.db2.gz NSXDKJDOAYPQBM-MNOVXSKESA-N 2 2 261.391 -0.533 20 0 CBADLP CCS(=O)(=O)NCC[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357081323 248320021 /nfs/dbraw/zinc/32/00/21/248320021.db2.gz NSXDKJDOAYPQBM-MNOVXSKESA-N 2 2 261.391 -0.533 20 0 CBADLP COc1ccccc1[C@@H]([NH3+])C(=O)N1CC[NH+](CCO)CC1 ZINC000357231343 248337476 /nfs/dbraw/zinc/33/74/76/248337476.db2.gz ZGCKGEBVLMQYLP-CQSZACIVSA-N 2 2 293.367 -0.169 20 0 CBADLP COC[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000357318095 248351606 /nfs/dbraw/zinc/35/16/06/248351606.db2.gz IEWWHMQHSOMRAE-GFCCVEGCSA-N 2 2 255.362 -0.271 20 0 CBADLP COC[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000357318095 248351610 /nfs/dbraw/zinc/35/16/10/248351610.db2.gz IEWWHMQHSOMRAE-GFCCVEGCSA-N 2 2 255.362 -0.271 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000357723727 248398405 /nfs/dbraw/zinc/39/84/05/248398405.db2.gz AUINDKCPMMBXGM-YPMHNXCESA-N 2 2 281.360 -0.363 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000357723727 248398409 /nfs/dbraw/zinc/39/84/09/248398409.db2.gz AUINDKCPMMBXGM-YPMHNXCESA-N 2 2 281.360 -0.363 20 0 CBADLP C[N@H+](CC(=O)NC[C@H]1CCCO1)C1CC[NH+](CCO)CC1 ZINC000357721478 248398654 /nfs/dbraw/zinc/39/86/54/248398654.db2.gz LLDWEYBSZAWLOH-CQSZACIVSA-N 2 2 299.415 -0.330 20 0 CBADLP C[N@@H+](CC(=O)NC[C@H]1CCCO1)C1CC[NH+](CCO)CC1 ZINC000357721478 248398659 /nfs/dbraw/zinc/39/86/59/248398659.db2.gz LLDWEYBSZAWLOH-CQSZACIVSA-N 2 2 299.415 -0.330 20 0 CBADLP C[C@H](C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)[NH+]1CCOCC1 ZINC000360833719 248615667 /nfs/dbraw/zinc/61/56/67/248615667.db2.gz NQRFBPLMCJKRFB-TZMCWYRMSA-N 2 2 267.373 -0.081 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000653125533 412885180 /nfs/dbraw/zinc/88/51/80/412885180.db2.gz CXGXVHHKHRQYHL-NEPJUHHUSA-N 3 2 254.378 -0.382 20 0 CBADLP CCC[C@@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653128999 412884917 /nfs/dbraw/zinc/88/49/17/412884917.db2.gz JFUMYPXVIYVCOQ-NEPJUHHUSA-N 3 2 256.394 -0.134 20 0 CBADLP Cc1n[nH]c(C)c1C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000347098499 218121261 /nfs/dbraw/zinc/12/12/61/218121261.db2.gz IVBBVJGYPYGXBN-UHFFFAOYSA-N 2 2 265.361 -0.110 20 0 CBADLP Cc1n[nH]c(C)c1C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000347098499 218121262 /nfs/dbraw/zinc/12/12/62/218121262.db2.gz IVBBVJGYPYGXBN-UHFFFAOYSA-N 2 2 265.361 -0.110 20 0 CBADLP C[N@@H+]1CCN(C[C@H](O)C[NH+]2CCOCC2)C(C)(C)C1 ZINC000347592515 218282984 /nfs/dbraw/zinc/28/29/84/218282984.db2.gz NREICOXQDNBLHK-CYBMUJFWSA-N 2 2 271.405 -0.295 20 0 CBADLP C[N@H+]1CCN(C[C@H](O)C[NH+]2CCOCC2)C(C)(C)C1 ZINC000347592515 218282986 /nfs/dbraw/zinc/28/29/86/218282986.db2.gz NREICOXQDNBLHK-CYBMUJFWSA-N 2 2 271.405 -0.295 20 0 CBADLP Cn1cc[nH+]c1N1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000266892952 190288213 /nfs/dbraw/zinc/28/82/13/190288213.db2.gz DMVJVVKOJZVGBI-UHFFFAOYSA-N 2 2 263.345 -0.179 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000347705671 218328823 /nfs/dbraw/zinc/32/88/23/218328823.db2.gz ULUTYJHNFAYUSG-UONOGXRCSA-N 2 2 298.431 -0.683 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000347705671 218328825 /nfs/dbraw/zinc/32/88/25/218328825.db2.gz ULUTYJHNFAYUSG-UONOGXRCSA-N 2 2 298.431 -0.683 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[NH+](CCO)CC1 ZINC000347733108 218338833 /nfs/dbraw/zinc/33/88/33/218338833.db2.gz ZZYCITLBWAWCFR-ZDUSSCGKSA-N 2 2 285.388 -0.909 20 0 CBADLP CC[NH+](CC)CC(=O)N1CC[NH+](C[C@](C)(O)C(C)=O)CC1 ZINC000347741941 218343015 /nfs/dbraw/zinc/34/30/15/218343015.db2.gz YICYMSPNOHHEAB-HNNXBMFYSA-N 2 2 299.415 -0.188 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NC[C@H](C)[NH+](C)C ZINC000347826986 218370433 /nfs/dbraw/zinc/37/04/33/218370433.db2.gz XHOYWRONMUTQOU-NSHDSACASA-N 2 2 272.393 -0.491 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NC[C@H](C)[NH+](C)C ZINC000347826986 218370435 /nfs/dbraw/zinc/37/04/35/218370435.db2.gz XHOYWRONMUTQOU-NSHDSACASA-N 2 2 272.393 -0.491 20 0 CBADLP CNC(=O)[C@H]1CCCC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000093170520 207365642 /nfs/dbraw/zinc/36/56/42/207365642.db2.gz RGWYKEFUCHVEOM-GFCCVEGCSA-N 2 2 282.388 -0.639 20 0 CBADLP CNC(=O)[C@H]1CCCC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000093170520 207365646 /nfs/dbraw/zinc/36/56/46/207365646.db2.gz RGWYKEFUCHVEOM-GFCCVEGCSA-N 2 2 282.388 -0.639 20 0 CBADLP CNC(=O)NC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123486362 207368082 /nfs/dbraw/zinc/36/80/82/207368082.db2.gz JYAKDTRWGLCKGG-NXEZZACHSA-N 2 2 256.350 -0.144 20 0 CBADLP CNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123486362 207368087 /nfs/dbraw/zinc/36/80/87/207368087.db2.gz JYAKDTRWGLCKGG-NXEZZACHSA-N 2 2 256.350 -0.144 20 0 CBADLP CNC(=O)NC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123486362 207368088 /nfs/dbraw/zinc/36/80/88/207368088.db2.gz JYAKDTRWGLCKGG-NXEZZACHSA-N 2 2 256.350 -0.144 20 0 CBADLP CNC(=O)NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123486362 207368093 /nfs/dbraw/zinc/36/80/93/207368093.db2.gz JYAKDTRWGLCKGG-NXEZZACHSA-N 2 2 256.350 -0.144 20 0 CBADLP CC(C)C[NH+]1CCN(C[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC000163884871 207397687 /nfs/dbraw/zinc/39/76/87/207397687.db2.gz IRMKLVBRYHXBKO-OAHLLOKOSA-N 2 2 285.432 -0.047 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@](C)(O)C2)CC1 ZINC000163219318 207395526 /nfs/dbraw/zinc/39/55/26/207395526.db2.gz USQIJGVSCJQTDM-CYBMUJFWSA-N 2 2 255.362 -0.393 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@](C)(O)C2)CC1 ZINC000163219318 207395533 /nfs/dbraw/zinc/39/55/33/207395533.db2.gz USQIJGVSCJQTDM-CYBMUJFWSA-N 2 2 255.362 -0.393 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000165044153 207399438 /nfs/dbraw/zinc/39/94/38/207399438.db2.gz WHGDBOPRBYSXAJ-OLZOCXBDSA-N 2 2 285.388 -0.408 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NCC1([NH3+])CCC1 ZINC000417022124 207551975 /nfs/dbraw/zinc/55/19/75/207551975.db2.gz ITBNZEHBLVNRFY-LLVKDONJSA-N 2 2 270.377 -0.112 20 0 CBADLP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000417514836 207557872 /nfs/dbraw/zinc/55/78/72/207557872.db2.gz JZUSVUMKEZSOIQ-SRVKXCTJSA-N 2 2 270.377 -0.162 20 0 CBADLP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000417514836 207557877 /nfs/dbraw/zinc/55/78/77/207557877.db2.gz JZUSVUMKEZSOIQ-SRVKXCTJSA-N 2 2 270.377 -0.162 20 0 CBADLP CN(C)c1[nH+]cc(C[N@@H+]2C[C@H](O)C[C@@H]2CO)n1C ZINC000425343200 208016333 /nfs/dbraw/zinc/01/63/33/208016333.db2.gz RHGABVXSTAVVPE-MWLCHTKSSA-N 2 2 254.334 -0.586 20 0 CBADLP CN(C)c1[nH+]cc(C[N@H+]2C[C@H](O)C[C@@H]2CO)n1C ZINC000425343200 208016336 /nfs/dbraw/zinc/01/63/36/208016336.db2.gz RHGABVXSTAVVPE-MWLCHTKSSA-N 2 2 254.334 -0.586 20 0 CBADLP CC(C)[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000428043158 208076894 /nfs/dbraw/zinc/07/68/94/208076894.db2.gz FNUOTWIWDAAYDF-VXGBXAGGSA-N 2 2 255.362 -0.051 20 0 CBADLP CC(C)[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000428043158 208076899 /nfs/dbraw/zinc/07/68/99/208076899.db2.gz FNUOTWIWDAAYDF-VXGBXAGGSA-N 2 2 255.362 -0.051 20 0 CBADLP COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428034374 208076939 /nfs/dbraw/zinc/07/69/39/208076939.db2.gz SVWDIHSUEPRDBW-TUAOUCFPSA-N 2 2 298.387 -0.469 20 0 CBADLP COC[C@H](C)NC(=O)NC(=O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428034374 208076945 /nfs/dbraw/zinc/07/69/45/208076945.db2.gz SVWDIHSUEPRDBW-TUAOUCFPSA-N 2 2 298.387 -0.469 20 0 CBADLP COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428034368 208077754 /nfs/dbraw/zinc/07/77/54/208077754.db2.gz SVWDIHSUEPRDBW-QJPTWQEYSA-N 2 2 298.387 -0.469 20 0 CBADLP COC[C@H](C)NC(=O)NC(=O)C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428034368 208077758 /nfs/dbraw/zinc/07/77/58/208077758.db2.gz SVWDIHSUEPRDBW-QJPTWQEYSA-N 2 2 298.387 -0.469 20 0 CBADLP C[C@@H](C(=O)N(C)C1CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000428300211 208085375 /nfs/dbraw/zinc/08/53/75/208085375.db2.gz GYQJJYPAPFKXLS-NSHDSACASA-N 2 2 255.362 -0.083 20 0 CBADLP CCC[N@H+](C)CC(=O)N1CC[NH+](CCO)[C@@H](C)C1 ZINC000428530576 208091702 /nfs/dbraw/zinc/09/17/02/208091702.db2.gz JHWZRTMHWKCVHZ-LBPRGKRZSA-N 2 2 257.378 -0.147 20 0 CBADLP CCC[N@@H+](C)CC(=O)N1CC[NH+](CCO)[C@@H](C)C1 ZINC000428530576 208091705 /nfs/dbraw/zinc/09/17/05/208091705.db2.gz JHWZRTMHWKCVHZ-LBPRGKRZSA-N 2 2 257.378 -0.147 20 0 CBADLP CCC[NH+](C)CC(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000428530576 208091711 /nfs/dbraw/zinc/09/17/11/208091711.db2.gz JHWZRTMHWKCVHZ-LBPRGKRZSA-N 2 2 257.378 -0.147 20 0 CBADLP CCC[NH+](C)CC(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000428530576 208091717 /nfs/dbraw/zinc/09/17/17/208091717.db2.gz JHWZRTMHWKCVHZ-LBPRGKRZSA-N 2 2 257.378 -0.147 20 0 CBADLP C[C@@H](C(=O)N1CCC[C@@H](C[NH3+])C1)[NH+]1CCOCC1 ZINC000428538970 208091836 /nfs/dbraw/zinc/09/18/36/208091836.db2.gz OXZLYBZHGPGQRD-RYUDHWBXSA-N 2 2 255.362 -0.096 20 0 CBADLP C[NH2+]C[C@@H]1CCN(C(=O)[C@H](C)[NH+]2CCOCC2)C1 ZINC000429469987 208123360 /nfs/dbraw/zinc/12/33/60/208123360.db2.gz OTSLAUGSHVLNHS-RYUDHWBXSA-N 2 2 255.362 -0.225 20 0 CBADLP C[NH2+]C[C@H]1CCN(C(=O)[C@H](C)[NH+]2CCOCC2)C1 ZINC000429469985 208123542 /nfs/dbraw/zinc/12/35/42/208123542.db2.gz OTSLAUGSHVLNHS-NWDGAFQWSA-N 2 2 255.362 -0.225 20 0 CBADLP C[C@H](C(=O)NCC[C@@H]1CC[NH2+]C1)[NH+]1CCOCC1 ZINC000429118815 208109137 /nfs/dbraw/zinc/10/91/37/208109137.db2.gz WXOBSONHXNCUDA-NEPJUHHUSA-N 2 2 255.362 -0.177 20 0 CBADLP C[C@H](C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1)[NH+]1CCOCC1 ZINC000429367240 208119874 /nfs/dbraw/zinc/11/98/74/208119874.db2.gz VGWHNBGBODVLMX-IJLUTSLNSA-N 2 2 255.362 -0.084 20 0 CBADLP C[C@@H](NC(=O)C[NH2+][C@@](C)(C[NH3+])C1CC1)C(=O)N(C)C ZINC000430574620 208164339 /nfs/dbraw/zinc/16/43/39/208164339.db2.gz OLSPABRLBJAUKU-RNCFNFMXSA-N 2 2 270.377 -0.704 20 0 CBADLP C[C@@](C[NH3+])([NH2+]CC(=O)NCCCN1CCCC1=O)C1CC1 ZINC000430587188 208166931 /nfs/dbraw/zinc/16/69/31/208166931.db2.gz VAXWNKPJNPAFKB-HNNXBMFYSA-N 2 2 296.415 -0.168 20 0 CBADLP C[C@](C[NH3+])([NH2+]CC(=O)NCC(=O)N1CCCC1)C1CC1 ZINC000430597942 208167007 /nfs/dbraw/zinc/16/70/07/208167007.db2.gz RJMLZHPUJWPLSA-CQSZACIVSA-N 2 2 282.388 -0.558 20 0 CBADLP CC(C)N1CC[C@@H]([N@H+](C)CC(=O)N2CC[NH2+]CC2)C1=O ZINC000430629722 208170243 /nfs/dbraw/zinc/17/02/43/208170243.db2.gz QSNNYYMBYNOZIF-GFCCVEGCSA-N 2 2 282.388 -0.641 20 0 CBADLP CC(C)N1CC[C@@H]([N@@H+](C)CC(=O)N2CC[NH2+]CC2)C1=O ZINC000430629722 208170249 /nfs/dbraw/zinc/17/02/49/208170249.db2.gz QSNNYYMBYNOZIF-GFCCVEGCSA-N 2 2 282.388 -0.641 20 0 CBADLP COC1CC[NH+](C(C)(C)CNC(=O)[C@H]2COCC[NH2+]2)CC1 ZINC000430705744 208172189 /nfs/dbraw/zinc/17/21/89/208172189.db2.gz BIDZHPFFSCHTAP-CYBMUJFWSA-N 2 2 299.415 -0.020 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000430680440 208172879 /nfs/dbraw/zinc/17/28/79/208172879.db2.gz OPFWMFVGNJMTMA-NSHDSACASA-N 2 2 291.355 -0.453 20 0 CBADLP CC[C@H](C)[C@@H]([NH3+])C(=O)NCC[NH+]1CCN(C(C)=O)CC1 ZINC000430744562 208177727 /nfs/dbraw/zinc/17/77/27/208177727.db2.gz ODMSEUXCSKSCFC-WCQYABFASA-N 2 2 284.404 -0.360 20 0 CBADLP COCC[NH2+]CC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000430750477 208178910 /nfs/dbraw/zinc/17/89/10/208178910.db2.gz NYQKHLLUPNWJHG-UHFFFAOYSA-N 2 2 266.345 0.000 20 0 CBADLP CC(C)[C@@H]([NH3+])C(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000430741071 208179597 /nfs/dbraw/zinc/17/95/97/208179597.db2.gz IEVRLJNWDLKRJC-DGCLKSJQSA-N 2 2 296.415 -0.219 20 0 CBADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)C2([NH3+])CCCC2)CC1 ZINC000430797249 208181872 /nfs/dbraw/zinc/18/18/72/208181872.db2.gz DDEIWGHNEWHVAZ-UHFFFAOYSA-N 2 2 282.388 -0.334 20 0 CBADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@H]2CCCC[NH2+]2)CC1 ZINC000430790841 208182038 /nfs/dbraw/zinc/18/20/38/208182038.db2.gz BHGWMHIPWXCDTC-LLVKDONJSA-N 2 2 282.388 -0.463 20 0 CBADLP CC[N@@H+]1CC[C@H](N(C)C(=O)CN2CC[NH2+]CC2=O)[C@@H](C)C1 ZINC000430801827 208184462 /nfs/dbraw/zinc/18/44/62/208184462.db2.gz HKLZPZKOWQKUOU-STQMWFEESA-N 2 2 296.415 -0.393 20 0 CBADLP CC[N@H+]1CC[C@H](N(C)C(=O)CN2CC[NH2+]CC2=O)[C@@H](C)C1 ZINC000430801827 208184466 /nfs/dbraw/zinc/18/44/66/208184466.db2.gz HKLZPZKOWQKUOU-STQMWFEESA-N 2 2 296.415 -0.393 20 0 CBADLP CC[N@@H+]1CC[C@@H](N(C)C(=O)CN2CC[NH2+]CC2=O)C[C@H]1C ZINC000430804155 208185503 /nfs/dbraw/zinc/18/55/03/208185503.db2.gz XUJMMJQAMALOPI-CHWSQXEVSA-N 2 2 296.415 -0.251 20 0 CBADLP CC[N@H+]1CC[C@@H](N(C)C(=O)CN2CC[NH2+]CC2=O)C[C@H]1C ZINC000430804155 208185510 /nfs/dbraw/zinc/18/55/10/208185510.db2.gz XUJMMJQAMALOPI-CHWSQXEVSA-N 2 2 296.415 -0.251 20 0 CBADLP C[C@@H](NC(=O)C[N@@H+]1CC[C@H](C[NH3+])C1)C(=O)N1CCCCC1 ZINC000430923088 208189530 /nfs/dbraw/zinc/18/95/30/208189530.db2.gz DNANNKYAAUWCMM-CHWSQXEVSA-N 2 2 296.415 -0.216 20 0 CBADLP C[C@@H](NC(=O)C[N@H+]1CC[C@H](C[NH3+])C1)C(=O)N1CCCCC1 ZINC000430923088 208189533 /nfs/dbraw/zinc/18/95/33/208189533.db2.gz DNANNKYAAUWCMM-CHWSQXEVSA-N 2 2 296.415 -0.216 20 0 CBADLP O=C(NCc1cn2c([nH+]1)CCCC2)[C@H]1C[NH2+]CCO1 ZINC000430902728 208189702 /nfs/dbraw/zinc/18/97/02/208189702.db2.gz ZJIPSAJTVRIBLO-LLVKDONJSA-N 2 2 264.329 -0.176 20 0 CBADLP C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430919757 208190334 /nfs/dbraw/zinc/19/03/34/208190334.db2.gz RUKKLUZASJGLHJ-NTZNESFSSA-N 2 2 296.415 -0.219 20 0 CBADLP C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430919757 208190341 /nfs/dbraw/zinc/19/03/41/208190341.db2.gz RUKKLUZASJGLHJ-NTZNESFSSA-N 2 2 296.415 -0.219 20 0 CBADLP C[NH2+]C[C@@H]1CC[N@@H+]([C@H](C)C(=O)N2CCC[C@H](C(N)=O)C2)C1 ZINC000430917402 208190597 /nfs/dbraw/zinc/19/05/97/208190597.db2.gz DABBVEHOZALTCO-AGIUHOORSA-N 2 2 296.415 -0.360 20 0 CBADLP C[NH2+]C[C@@H]1CC[N@H+]([C@H](C)C(=O)N2CCC[C@H](C(N)=O)C2)C1 ZINC000430917402 208190604 /nfs/dbraw/zinc/19/06/04/208190604.db2.gz DABBVEHOZALTCO-AGIUHOORSA-N 2 2 296.415 -0.360 20 0 CBADLP COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000430939485 208192017 /nfs/dbraw/zinc/19/20/17/208192017.db2.gz LHIHUBLMXLIFGK-GARJFASQSA-N 2 2 286.376 -0.484 20 0 CBADLP COC[C@H](C)NC(=O)NC(=O)C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000430939485 208192022 /nfs/dbraw/zinc/19/20/22/208192022.db2.gz LHIHUBLMXLIFGK-GARJFASQSA-N 2 2 286.376 -0.484 20 0 CBADLP C[NH2+]C[C@H]1CC[N@@H+]([C@@H](C)C(=O)N(C)CC(=O)NC2CC2)C1 ZINC000430951695 208192661 /nfs/dbraw/zinc/19/26/61/208192661.db2.gz WGVKHYJRNOMNCD-NWDGAFQWSA-N 2 2 296.415 -0.347 20 0 CBADLP C[NH2+]C[C@H]1CC[N@H+]([C@@H](C)C(=O)N(C)CC(=O)NC2CC2)C1 ZINC000430951695 208192668 /nfs/dbraw/zinc/19/26/68/208192668.db2.gz WGVKHYJRNOMNCD-NWDGAFQWSA-N 2 2 296.415 -0.347 20 0 CBADLP COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430939486 208193245 /nfs/dbraw/zinc/19/32/45/208193245.db2.gz LHIHUBLMXLIFGK-OUAUKWLOSA-N 2 2 286.376 -0.484 20 0 CBADLP COC[C@H](C)NC(=O)NC(=O)C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430939486 208193248 /nfs/dbraw/zinc/19/32/48/208193248.db2.gz LHIHUBLMXLIFGK-OUAUKWLOSA-N 2 2 286.376 -0.484 20 0 CBADLP C[C@H]1C[N@H+](CC(=O)NCC(=O)N2CCCC2)CC[C@H]1[NH3+] ZINC000430970172 208194979 /nfs/dbraw/zinc/19/49/79/208194979.db2.gz GGJVIORCROAZNF-NWDGAFQWSA-N 2 2 282.388 -0.606 20 0 CBADLP C[C@H]1C[N@@H+](CC(=O)NCC(=O)N2CCCC2)CC[C@H]1[NH3+] ZINC000430970172 208194985 /nfs/dbraw/zinc/19/49/85/208194985.db2.gz GGJVIORCROAZNF-NWDGAFQWSA-N 2 2 282.388 -0.606 20 0 CBADLP Cn1cc(C[NH+]2CCN(C(=O)C(C)(C)[NH3+])CC2)cn1 ZINC000431009682 208198833 /nfs/dbraw/zinc/19/88/33/208198833.db2.gz KDCDICPCHPRNSM-UHFFFAOYSA-N 2 2 265.361 -0.198 20 0 CBADLP C[C@@H]1C[N@@H+](C2CCN(C(=O)[C@@H]3COCC[NH2+]3)CC2)CCO1 ZINC000431069079 208202186 /nfs/dbraw/zinc/20/21/86/208202186.db2.gz ZXYCAAIULQYTGK-OCCSQVGLSA-N 2 2 297.399 -0.314 20 0 CBADLP C[C@@H]1C[N@H+](C2CCN(C(=O)[C@@H]3COCC[NH2+]3)CC2)CCO1 ZINC000431069079 208202193 /nfs/dbraw/zinc/20/21/93/208202193.db2.gz ZXYCAAIULQYTGK-OCCSQVGLSA-N 2 2 297.399 -0.314 20 0 CBADLP CC(C)[C@@H](C[NH3+])C(=O)NC[C@@H](C)[NH+]1CCN(C)CC1 ZINC000433169425 208238718 /nfs/dbraw/zinc/23/87/18/208238718.db2.gz RNFWQHAZBJLRFA-CHWSQXEVSA-N 2 2 270.421 -0.031 20 0 CBADLP CN(C)c1nc(N(C)C[C@H](O)C[NH+]2CCOCC2)cc[nH+]1 ZINC000433784093 208250056 /nfs/dbraw/zinc/25/00/56/208250056.db2.gz UQYGEJSSOHEJQE-LBPRGKRZSA-N 2 2 295.387 -0.328 20 0 CBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C1CC[NH+](C)CC1 ZINC000434476910 208262598 /nfs/dbraw/zinc/26/25/98/208262598.db2.gz LZJSDYGNNNAWDV-AWEZNQCLSA-N 2 2 299.415 -0.520 20 0 CBADLP C[NH2+]CCC[NH+]1CCN(c2ncccc2C(N)=O)CC1 ZINC000435878896 208283898 /nfs/dbraw/zinc/28/38/98/208283898.db2.gz HDWAZMXBEWOTSN-UHFFFAOYSA-N 2 2 277.372 -0.088 20 0 CBADLP C[NH2+]CCC[NH+]1CCN(c2nccn(C)c2=O)CC1 ZINC000435882115 208283957 /nfs/dbraw/zinc/28/39/57/208283957.db2.gz XCYUDVSUPJIIRL-UHFFFAOYSA-N 2 2 265.361 -0.488 20 0 CBADLP C[NH2+]CCCN1CC[NH+](CC(=O)NC(C)C)CC1 ZINC000435876765 208285560 /nfs/dbraw/zinc/28/55/60/208285560.db2.gz ZQPWGQRWDBKMJV-UHFFFAOYSA-N 2 2 256.394 -0.262 20 0 CBADLP C[NH2+]CC(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000440563349 208342575 /nfs/dbraw/zinc/34/25/75/208342575.db2.gz GKADNDUGEGEACK-UHFFFAOYSA-N 2 2 265.361 -0.326 20 0 CBADLP C[NH2+]CC(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000440563349 208342580 /nfs/dbraw/zinc/34/25/80/208342580.db2.gz GKADNDUGEGEACK-UHFFFAOYSA-N 2 2 265.361 -0.326 20 0 CBADLP CC(C)C[C@@H](CNC(=O)C[NH+](C)C)NC(=O)C[NH+](C)C ZINC000442649413 208357226 /nfs/dbraw/zinc/35/72/26/208357226.db2.gz LSENNCMIFKBKRF-LBPRGKRZSA-N 2 2 286.420 -0.243 20 0 CBADLP C[C@H]([NH3+])CN1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000442653857 208358566 /nfs/dbraw/zinc/35/85/66/208358566.db2.gz AKGIJDCZUQIYQR-LBPRGKRZSA-N 2 2 254.378 -0.426 20 0 CBADLP C[C@@H]([NH3+])CN1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000442660004 208359150 /nfs/dbraw/zinc/35/91/50/208359150.db2.gz LJONRSROWIPXCI-CYBMUJFWSA-N 2 2 268.405 -0.036 20 0 CBADLP COCCCNC(=O)[C@H](C)[NH+]1CCN(C[C@@H](C)[NH3+])CC1 ZINC000442658899 208359282 /nfs/dbraw/zinc/35/92/82/208359282.db2.gz JKXULDYOEWUHCM-OLZOCXBDSA-N 2 2 286.420 -0.508 20 0 CBADLP C[C@H]([NH3+])CN1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000442667588 208359707 /nfs/dbraw/zinc/35/97/07/208359707.db2.gz YJXYMBKAFWZVTM-STQMWFEESA-N 2 2 268.405 -0.038 20 0 CBADLP CCCC[C@H]([NH3+])C(=O)NCC[NH+]1CCN(C(C)=O)CC1 ZINC000442713584 208360831 /nfs/dbraw/zinc/36/08/31/208360831.db2.gz LUVMJPVZQMMMIJ-ZDUSSCGKSA-N 2 2 284.404 -0.216 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@@H](C)N2CC[NH+](C)CC2)CC1 ZINC000353839164 220360833 /nfs/dbraw/zinc/36/08/33/220360833.db2.gz DJTUWONQBFVGEE-CQSZACIVSA-N 2 2 298.431 -0.587 20 0 CBADLP CN(C)C(=O)C(C)(C)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000574846382 335051969 /nfs/dbraw/zinc/05/19/69/335051969.db2.gz JNGFKGCPLCJZLI-LLVKDONJSA-N 2 2 257.378 -0.102 20 0 CBADLP CN(C)C(=O)C(C)(C)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000574846382 335051971 /nfs/dbraw/zinc/05/19/71/335051971.db2.gz JNGFKGCPLCJZLI-LLVKDONJSA-N 2 2 257.378 -0.102 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2C[C@@H]3COC[C@H](C2)O3)CC1 ZINC000338370799 285299155 /nfs/dbraw/zinc/29/91/55/285299155.db2.gz COEZVZWOVBZOLX-MCIONIFRSA-N 2 2 297.399 -0.361 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2C[C@@H]3COC[C@H](C2)O3)CC1 ZINC000338370799 285299157 /nfs/dbraw/zinc/29/91/57/285299157.db2.gz COEZVZWOVBZOLX-MCIONIFRSA-N 2 2 297.399 -0.361 20 0 CBADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NC(N)=O)[C@H](C)C1 ZINC000174773957 285369616 /nfs/dbraw/zinc/36/96/16/285369616.db2.gz VHEJIWIAZNCXFO-NXEZZACHSA-N 2 2 256.350 -0.157 20 0 CBADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NC(N)=O)[C@H](C)C1 ZINC000174773957 285369617 /nfs/dbraw/zinc/36/96/17/285369617.db2.gz VHEJIWIAZNCXFO-NXEZZACHSA-N 2 2 256.350 -0.157 20 0 CBADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NC(N)=O)[C@H](C)C1 ZINC000174773957 285369618 /nfs/dbraw/zinc/36/96/18/285369618.db2.gz VHEJIWIAZNCXFO-NXEZZACHSA-N 2 2 256.350 -0.157 20 0 CBADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NC(N)=O)[C@H](C)C1 ZINC000174773957 285369619 /nfs/dbraw/zinc/36/96/19/285369619.db2.gz VHEJIWIAZNCXFO-NXEZZACHSA-N 2 2 256.350 -0.157 20 0 CBADLP C[C@@H](C(=O)NCCNc1cc[nH+]cc1)[NH+]1CCOCC1 ZINC000355821367 533261190 /nfs/dbraw/zinc/26/11/90/533261190.db2.gz SLRYYMWSZIEJIY-LBPRGKRZSA-N 2 2 278.356 -0.248 20 0 CBADLP COC(=O)C[C@@H]1C(=O)NCC[N@H+]1CCCn1cc[nH+]c1 ZINC000182662801 533617123 /nfs/dbraw/zinc/61/71/23/533617123.db2.gz CAVSGMVFHCLPGU-LLVKDONJSA-N 2 2 280.328 -0.363 20 0 CBADLP COC(=O)C[C@@H]1C(=O)NCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000182662801 533617126 /nfs/dbraw/zinc/61/71/26/533617126.db2.gz CAVSGMVFHCLPGU-LLVKDONJSA-N 2 2 280.328 -0.363 20 0 CBADLP CC(C)c1nc(N2CC[NH2+][C@@H](C(N)=O)C2)nc(N(C)C)[nH+]1 ZINC000270961987 135089528 /nfs/dbraw/zinc/08/95/28/135089528.db2.gz RDDWSYMZOGLYME-SECBINFHSA-N 2 2 293.375 -0.676 20 0 CBADLP COC1(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)CC[NH2+]CC1 ZINC000430895056 292093704 /nfs/dbraw/zinc/09/37/04/292093704.db2.gz RSHOWSUHBBBKDU-LBPRGKRZSA-N 2 2 285.388 -0.408 20 0 CBADLP COC1(C(=O)NCC[N@H+]2CCOC[C@@H]2C)CC[NH2+]CC1 ZINC000430895056 292093706 /nfs/dbraw/zinc/09/37/06/292093706.db2.gz RSHOWSUHBBBKDU-LBPRGKRZSA-N 2 2 285.388 -0.408 20 0 CBADLP COC1(C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)CC[NH2+]CC1 ZINC000167693116 292095165 /nfs/dbraw/zinc/09/51/65/292095165.db2.gz PJBQWEGFJUSQPV-QWHCGFSZSA-N 2 2 299.415 -0.020 20 0 CBADLP O=C([C@@H]1CCC[NH2+]1)N1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000378209226 304330437 /nfs/dbraw/zinc/33/04/37/304330437.db2.gz JVXCVWYCOIESSL-QWHCGFSZSA-N 2 2 294.399 -0.449 20 0 CBADLP CO[C@H](C[NH3+])C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000353441634 285992498 /nfs/dbraw/zinc/99/24/98/285992498.db2.gz ARADTTCKOWHYTK-QWHCGFSZSA-N 2 2 285.388 -0.327 20 0 CBADLP CCOCC[N@@H+]1CCN(C(=O)[C@H]2C[NH2+]CCO2)C[C@@H]1C ZINC000188188205 286088074 /nfs/dbraw/zinc/08/80/74/286088074.db2.gz GRUHLWZDTAGZDO-QWHCGFSZSA-N 2 2 285.388 -0.456 20 0 CBADLP CCOCC[N@H+]1CCN(C(=O)[C@H]2C[NH2+]CCO2)C[C@@H]1C ZINC000188188205 286088075 /nfs/dbraw/zinc/08/80/75/286088075.db2.gz GRUHLWZDTAGZDO-QWHCGFSZSA-N 2 2 285.388 -0.456 20 0 CBADLP CCOCCNC(=O)C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360543025 286094835 /nfs/dbraw/zinc/09/48/35/286094835.db2.gz FWIPVGGSIJQYBI-CYBMUJFWSA-N 2 2 255.362 -0.176 20 0 CBADLP CCOCCNC(=O)C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360543025 286094836 /nfs/dbraw/zinc/09/48/36/286094836.db2.gz FWIPVGGSIJQYBI-CYBMUJFWSA-N 2 2 255.362 -0.176 20 0 CBADLP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000423634289 297112049 /nfs/dbraw/zinc/11/20/49/297112049.db2.gz QMJJOZTUZNVHJG-QNWHQSFQSA-N 2 2 296.415 -0.254 20 0 CBADLP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000423634289 297112051 /nfs/dbraw/zinc/11/20/51/297112051.db2.gz QMJJOZTUZNVHJG-QNWHQSFQSA-N 2 2 296.415 -0.254 20 0 CBADLP COCCCNC(=O)[C@@H](C)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107577198 292360302 /nfs/dbraw/zinc/36/03/02/292360302.db2.gz RYXISBQCNAIJGI-UTUOFQBUSA-N 2 2 255.362 -0.321 20 0 CBADLP COCCCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107577198 292360305 /nfs/dbraw/zinc/36/03/05/292360305.db2.gz RYXISBQCNAIJGI-UTUOFQBUSA-N 2 2 255.362 -0.321 20 0 CBADLP COCCCNC(=O)[C@H](C)[NH+]1CCN(CC[NH3+])CC1 ZINC000037039615 292361488 /nfs/dbraw/zinc/36/14/88/292361488.db2.gz BYVNPAXEZANWOR-LBPRGKRZSA-N 2 2 272.393 -0.896 20 0 CBADLP COCCCNC(=O)[C@H](C)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107577194 292362385 /nfs/dbraw/zinc/36/23/85/292362385.db2.gz RYXISBQCNAIJGI-SDDRHHMPSA-N 2 2 255.362 -0.321 20 0 CBADLP COCCCNC(=O)[C@H](C)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107577194 292362386 /nfs/dbraw/zinc/36/23/86/292362386.db2.gz RYXISBQCNAIJGI-SDDRHHMPSA-N 2 2 255.362 -0.321 20 0 CBADLP C[C@@H](C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)[C@H](C)[NH3+] ZINC000230216581 286758556 /nfs/dbraw/zinc/75/85/56/286758556.db2.gz YFGGMOHGPOAWJC-GRYCIOLGSA-N 2 2 255.362 -0.097 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@H](CC[NH3+])C(F)F ZINC000417040786 286848908 /nfs/dbraw/zinc/84/89/08/286848908.db2.gz VWUSRBVPGKMXEI-VHSXEESVSA-N 2 2 294.346 -0.011 20 0 CBADLP C[C@@H](O)C[NH+]1CCN(C(=O)N[C@@H](C)Cn2cc[nH+]c2)CC1 ZINC000350995695 287091498 /nfs/dbraw/zinc/09/14/98/287091498.db2.gz SOOHRYAGQQJFBD-QWHCGFSZSA-N 2 2 295.387 -0.020 20 0 CBADLP O=C(CCn1cc[nH+]c1)NCCCN1CC[NH2+]CC1 ZINC000035307145 172121214 /nfs/dbraw/zinc/12/12/14/172121214.db2.gz ZHWZPLZPYRQWNW-UHFFFAOYSA-N 2 2 265.361 -0.315 20 0 CBADLP C[C@@H]([NH3+])C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662900537 414060945 /nfs/dbraw/zinc/06/09/45/414060945.db2.gz NCRGZCODKNMEOJ-YPMHNXCESA-N 3 2 268.405 -0.040 20 0 CBADLP C[C@@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662900537 414060957 /nfs/dbraw/zinc/06/09/57/414060957.db2.gz NCRGZCODKNMEOJ-YPMHNXCESA-N 3 2 268.405 -0.040 20 0 CBADLP C[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662900534 414061916 /nfs/dbraw/zinc/06/19/16/414061916.db2.gz NCRGZCODKNMEOJ-AAEUAGOBSA-N 3 2 268.405 -0.040 20 0 CBADLP C[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662900534 414061923 /nfs/dbraw/zinc/06/19/23/414061923.db2.gz NCRGZCODKNMEOJ-AAEUAGOBSA-N 3 2 268.405 -0.040 20 0 CBADLP CN(C(=O)CC[NH3+])[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662901344 414059017 /nfs/dbraw/zinc/05/90/17/414059017.db2.gz VOUNVZDXUSPTTH-ZDUSSCGKSA-N 3 2 268.405 -0.038 20 0 CBADLP CN(C(=O)CC[NH3+])[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662901344 414059022 /nfs/dbraw/zinc/05/90/22/414059022.db2.gz VOUNVZDXUSPTTH-ZDUSSCGKSA-N 3 2 268.405 -0.038 20 0 CBADLP O=C(NCCC[NH+]1CCOCC1)[C@@H]1CSC[NH2+]1 ZINC000037393613 173174654 /nfs/dbraw/zinc/17/46/54/173174654.db2.gz WNLOSIHCNIQCGB-JTQLQIEISA-N 2 2 259.375 -0.513 20 0 CBADLP CC1CCN(C(=O)C[N@H+](C)CC(=O)N2CC[NH2+]CC2)CC1 ZINC000038031350 174024706 /nfs/dbraw/zinc/02/47/06/174024706.db2.gz NRKZVGUXHZZHLG-UHFFFAOYSA-N 2 2 296.415 -0.392 20 0 CBADLP CC1CCN(C(=O)C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)CC1 ZINC000038031350 174024707 /nfs/dbraw/zinc/02/47/07/174024707.db2.gz NRKZVGUXHZZHLG-UHFFFAOYSA-N 2 2 296.415 -0.392 20 0 CBADLP CC[C@H](C)NC(=O)[C@@H](C)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031554 174025711 /nfs/dbraw/zinc/02/57/11/174025711.db2.gz BDKZHALARRERKN-NWDGAFQWSA-N 2 2 284.404 -0.347 20 0 CBADLP CC[C@H](C)NC(=O)[C@@H](C)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031554 174025712 /nfs/dbraw/zinc/02/57/12/174025712.db2.gz BDKZHALARRERKN-NWDGAFQWSA-N 2 2 284.404 -0.347 20 0 CBADLP CNC(=O)NC(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746887 174391906 /nfs/dbraw/zinc/39/19/06/174391906.db2.gz TXZZCOIXSHEYSJ-ULKQDVFKSA-N 2 2 254.334 -0.343 20 0 CBADLP CNC(=O)NC(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746887 174391907 /nfs/dbraw/zinc/39/19/07/174391907.db2.gz TXZZCOIXSHEYSJ-ULKQDVFKSA-N 2 2 254.334 -0.343 20 0 CBADLP C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1C[NH+](C)CCO1 ZINC000127122548 544456242 /nfs/dbraw/zinc/45/62/42/544456242.db2.gz DZFVTZXXIXITPT-SDDRHHMPSA-N 2 2 255.362 -0.084 20 0 CBADLP C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)[C@H]1C[NH+](C)CCO1 ZINC000127122548 544456244 /nfs/dbraw/zinc/45/62/44/544456244.db2.gz DZFVTZXXIXITPT-SDDRHHMPSA-N 2 2 255.362 -0.084 20 0 CBADLP C[C@H](NC(=O)[C@@H]1CCC[NH+]1C)[C@H]1C[N@H+](C)CCO1 ZINC000127122548 544456247 /nfs/dbraw/zinc/45/62/47/544456247.db2.gz DZFVTZXXIXITPT-SDDRHHMPSA-N 2 2 255.362 -0.084 20 0 CBADLP C[C@H](NC(=O)[C@@H]1CCC[NH+]1C)[C@H]1C[N@@H+](C)CCO1 ZINC000127122548 544456250 /nfs/dbraw/zinc/45/62/50/544456250.db2.gz DZFVTZXXIXITPT-SDDRHHMPSA-N 2 2 255.362 -0.084 20 0 CBADLP C[NH2+][C@@H](C)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000054074741 544421043 /nfs/dbraw/zinc/42/10/43/544421043.db2.gz IHBWGDHRKLIRIF-NWDGAFQWSA-N 2 2 255.362 -0.083 20 0 CBADLP CC[NH2+]Cc1cn(CC(=O)N2CC[NH+](C)CC2)nn1 ZINC000090296104 544439729 /nfs/dbraw/zinc/43/97/29/544439729.db2.gz NIWFYHPSGPJSIH-UHFFFAOYSA-N 2 2 266.349 -0.838 20 0 CBADLP [NH3+]CCOCC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000093231376 544442708 /nfs/dbraw/zinc/44/27/08/544442708.db2.gz MMYXHQFAIXLQBC-UHFFFAOYSA-N 2 2 278.356 -0.299 20 0 CBADLP O=C(N1CC[NH+](CCO)CC1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111243668 544448608 /nfs/dbraw/zinc/44/86/08/544448608.db2.gz YIFGXTJOAZSDKT-LLVKDONJSA-N 2 2 295.305 -0.335 20 0 CBADLP O=C(N1CC[NH+](CCO)CC1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111243666 544448620 /nfs/dbraw/zinc/44/86/20/544448620.db2.gz YIFGXTJOAZSDKT-NSHDSACASA-N 2 2 295.305 -0.335 20 0 CBADLP NC(=O)[C@H]1CCC[NH+]1C/C=C/C[N@H+]1CCC[C@@H]1C(N)=O ZINC000112980232 544449644 /nfs/dbraw/zinc/44/96/44/544449644.db2.gz JESWDCONLJRVHT-NUYITTKVSA-N 2 2 280.372 -0.558 20 0 CBADLP NC(=O)[C@H]1CCC[NH+]1C/C=C/C[N@@H+]1CCC[C@@H]1C(N)=O ZINC000112980232 544449651 /nfs/dbraw/zinc/44/96/51/544449651.db2.gz JESWDCONLJRVHT-NUYITTKVSA-N 2 2 280.372 -0.558 20 0 CBADLP CCN(C)C(=O)[C@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000231850934 544502030 /nfs/dbraw/zinc/50/20/30/544502030.db2.gz RDMVCQLADKZEEN-NWDGAFQWSA-N 2 2 257.378 -0.101 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000130352890 544458459 /nfs/dbraw/zinc/45/84/59/544458459.db2.gz XVVZDIBZRZVRFA-UHFFFAOYSA-N 2 2 287.404 -0.520 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000130352890 544458463 /nfs/dbraw/zinc/45/84/63/544458463.db2.gz XVVZDIBZRZVRFA-UHFFFAOYSA-N 2 2 287.404 -0.520 20 0 CBADLP CCN(C)C(=O)[C@H](C)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000231850937 544502244 /nfs/dbraw/zinc/50/22/44/544502244.db2.gz RDMVCQLADKZEEN-RYUDHWBXSA-N 2 2 257.378 -0.101 20 0 CBADLP C[C@H]1C[C@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)CCO1 ZINC000223053877 544491331 /nfs/dbraw/zinc/49/13/31/544491331.db2.gz DRCXEOMPAPRINR-NWDGAFQWSA-N 2 2 255.362 -0.083 20 0 CBADLP CC[C@@H](C(=O)N(CCO)CC[NH+]1CCOCC1)[NH+](C)C ZINC000338226279 544549359 /nfs/dbraw/zinc/54/93/59/544549359.db2.gz YBRHZVSKYYQKQH-ZDUSSCGKSA-N 2 2 287.404 -0.520 20 0 CBADLP C[C@@H](CNC(=O)N[C@@H]1CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000333755208 544545710 /nfs/dbraw/zinc/54/57/10/544545710.db2.gz AOLQXQLHLOIWNO-NWDGAFQWSA-N 2 2 270.377 -0.242 20 0 CBADLP CC[N@@H+]1CCCC[C@H]1CNC(=O)CN1CC[NH2+]CC1=O ZINC000236825601 544506380 /nfs/dbraw/zinc/50/63/80/544506380.db2.gz DEPVWWRPXFLPSC-LBPRGKRZSA-N 2 2 282.388 -0.591 20 0 CBADLP CC[N@H+]1CCCC[C@H]1CNC(=O)CN1CC[NH2+]CC1=O ZINC000236825601 544506384 /nfs/dbraw/zinc/50/63/84/544506384.db2.gz DEPVWWRPXFLPSC-LBPRGKRZSA-N 2 2 282.388 -0.591 20 0 CBADLP CC(C)C[C@H]([NH3+])C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000236646168 544506616 /nfs/dbraw/zinc/50/66/16/544506616.db2.gz DQJDAYCAVFABGN-STQMWFEESA-N 2 2 287.404 -0.489 20 0 CBADLP O=C(NCC[NH+]1CCOCC1)NC[C@H]1CCCC[NH2+]1 ZINC000257975035 544516176 /nfs/dbraw/zinc/51/61/76/544516176.db2.gz CEQSPKOECDVFLM-GFCCVEGCSA-N 2 2 270.377 -0.240 20 0 CBADLP CC(=O)N[C@H]1CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000310909187 544529613 /nfs/dbraw/zinc/52/96/13/544529613.db2.gz QLMUWIFSBLZGBP-QWHCGFSZSA-N 2 2 257.378 -0.102 20 0 CBADLP CC(=O)N[C@H]1CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C1 ZINC000310909187 544529618 /nfs/dbraw/zinc/52/96/18/544529618.db2.gz QLMUWIFSBLZGBP-QWHCGFSZSA-N 2 2 257.378 -0.102 20 0 CBADLP CC(=O)N[C@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000310909187 544529623 /nfs/dbraw/zinc/52/96/23/544529623.db2.gz QLMUWIFSBLZGBP-QWHCGFSZSA-N 2 2 257.378 -0.102 20 0 CBADLP CC(=O)N[C@H]1CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000310909187 544529628 /nfs/dbraw/zinc/52/96/28/544529628.db2.gz QLMUWIFSBLZGBP-QWHCGFSZSA-N 2 2 257.378 -0.102 20 0 CBADLP CC(=O)N[C@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000310909188 544529997 /nfs/dbraw/zinc/52/99/97/544529997.db2.gz QLMUWIFSBLZGBP-STQMWFEESA-N 2 2 257.378 -0.102 20 0 CBADLP CC(=O)N[C@H]1CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C1 ZINC000310909188 544530003 /nfs/dbraw/zinc/53/00/03/544530003.db2.gz QLMUWIFSBLZGBP-STQMWFEESA-N 2 2 257.378 -0.102 20 0 CBADLP CC(=O)N[C@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000310909188 544530005 /nfs/dbraw/zinc/53/00/05/544530005.db2.gz QLMUWIFSBLZGBP-STQMWFEESA-N 2 2 257.378 -0.102 20 0 CBADLP CC(=O)N[C@H]1CC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000310909188 544530011 /nfs/dbraw/zinc/53/00/11/544530011.db2.gz QLMUWIFSBLZGBP-STQMWFEESA-N 2 2 257.378 -0.102 20 0 CBADLP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CC[NH+](CC)CC1 ZINC000343009634 544554579 /nfs/dbraw/zinc/55/45/79/544554579.db2.gz IDWXVJKTEDKUQF-CYBMUJFWSA-N 2 2 298.431 -0.003 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(c2nc(N)n[nH]2)CC1 ZINC000660565727 419410250 /nfs/dbraw/zinc/41/02/50/419410250.db2.gz WGQJWBXNEZSHMR-LLVKDONJSA-N 2 2 282.392 -0.121 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(c2nc(N)n[nH]2)CC1 ZINC000660565727 419410259 /nfs/dbraw/zinc/41/02/59/419410259.db2.gz WGQJWBXNEZSHMR-LLVKDONJSA-N 2 2 282.392 -0.121 20 0 CBADLP CCC[N@H+](C)CC(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000339804710 544550721 /nfs/dbraw/zinc/55/07/21/544550721.db2.gz NHMJMVWXTIYQJG-UHFFFAOYSA-N 2 2 287.404 -0.519 20 0 CBADLP CCC[N@@H+](C)CC(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000339804710 544550727 /nfs/dbraw/zinc/55/07/27/544550727.db2.gz NHMJMVWXTIYQJG-UHFFFAOYSA-N 2 2 287.404 -0.519 20 0 CBADLP Cc1nc(N)nc(N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)n1 ZINC000631351211 419479313 /nfs/dbraw/zinc/47/93/13/419479313.db2.gz HGTOACHBAYUNJO-JTQLQIEISA-N 2 2 281.408 -0.132 20 0 CBADLP Cc1nc(N)nc(N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)n1 ZINC000631351211 419479320 /nfs/dbraw/zinc/47/93/20/419479320.db2.gz HGTOACHBAYUNJO-JTQLQIEISA-N 2 2 281.408 -0.132 20 0 CBADLP NC(=O)[C@H]1CCC[NH+]1C/C=C\C[N@H+]1CCC[C@@H]1C(N)=O ZINC000660737860 419431639 /nfs/dbraw/zinc/43/16/39/419431639.db2.gz JESWDCONLJRVHT-JZIZGNRHSA-N 2 2 280.372 -0.558 20 0 CBADLP NC(=O)[C@H]1CCC[NH+]1C/C=C\C[N@@H+]1CCC[C@@H]1C(N)=O ZINC000660737860 419431644 /nfs/dbraw/zinc/43/16/44/419431644.db2.gz JESWDCONLJRVHT-JZIZGNRHSA-N 2 2 280.372 -0.558 20 0 CBADLP O=C(NCCCCn1cc[nH+]c1)[C@H]1C[NH2+]CCO1 ZINC000045109240 419434737 /nfs/dbraw/zinc/43/47/37/419434737.db2.gz OZYABGGEQSMXED-LLVKDONJSA-N 2 2 252.318 -0.232 20 0 CBADLP C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(N)[nH+]c1 ZINC000626856440 419443609 /nfs/dbraw/zinc/44/36/09/419443609.db2.gz GJWHPBUSCGNLQW-SNVBAGLBSA-N 2 2 277.328 -0.187 20 0 CBADLP C[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(N)[nH+]c1 ZINC000626856440 419443615 /nfs/dbraw/zinc/44/36/15/419443615.db2.gz GJWHPBUSCGNLQW-SNVBAGLBSA-N 2 2 277.328 -0.187 20 0 CBADLP C[C@@H]1CCC[N@H+](CCN2C(=O)CNC2=O)[C@@H]1C[NH3+] ZINC000070178315 419466036 /nfs/dbraw/zinc/46/60/36/419466036.db2.gz VOUBJCPCGUCPDI-NXEZZACHSA-N 2 2 254.334 -0.403 20 0 CBADLP C[C@@H]1CCC[N@@H+](CCN2C(=O)CNC2=O)[C@@H]1C[NH3+] ZINC000070178315 419466045 /nfs/dbraw/zinc/46/60/45/419466045.db2.gz VOUBJCPCGUCPDI-NXEZZACHSA-N 2 2 254.334 -0.403 20 0 CBADLP Nc1nc(-n2cccn2)cc(N2C[C@@H]3C[C@H]2C[NH2+]3)[nH+]1 ZINC000630554489 419466711 /nfs/dbraw/zinc/46/67/11/419466711.db2.gz ZXDPPPHWEHRWBV-IUCAKERBSA-N 2 2 257.301 -0.205 20 0 CBADLP O=C1C[NH+](CCCCC[N@@H+]2CCNC(=O)C2)CCN1 ZINC000077247192 419467356 /nfs/dbraw/zinc/46/73/56/419467356.db2.gz PUCIWTKSYLVLAT-UHFFFAOYSA-N 2 2 268.361 -0.980 20 0 CBADLP O=C1C[NH+](CCCCC[N@H+]2CCNC(=O)C2)CCN1 ZINC000077247192 419467365 /nfs/dbraw/zinc/46/73/65/419467365.db2.gz PUCIWTKSYLVLAT-UHFFFAOYSA-N 2 2 268.361 -0.980 20 0 CBADLP Cc1nc(NC[C@@H]2C[N@H+](CC(C)C)CCO2)nc(N)[nH+]1 ZINC000631040150 419469610 /nfs/dbraw/zinc/46/96/10/419469610.db2.gz BTMURMSRPBZTGL-LLVKDONJSA-N 2 2 280.376 -0.047 20 0 CBADLP Cc1nc(NC[C@@H]2C[N@@H+](CC(C)C)CCO2)nc(N)[nH+]1 ZINC000631040150 419469621 /nfs/dbraw/zinc/46/96/21/419469621.db2.gz BTMURMSRPBZTGL-LLVKDONJSA-N 2 2 280.376 -0.047 20 0 CBADLP Cc1nc(N)nc(NC[C@@H]2C[N@H+](CC(C)C)CCO2)[nH+]1 ZINC000631040150 419469627 /nfs/dbraw/zinc/46/96/27/419469627.db2.gz BTMURMSRPBZTGL-LLVKDONJSA-N 2 2 280.376 -0.047 20 0 CBADLP Cc1nc(N)nc(NC[C@@H]2C[N@@H+](CC(C)C)CCO2)[nH+]1 ZINC000631040150 419469637 /nfs/dbraw/zinc/46/96/37/419469637.db2.gz BTMURMSRPBZTGL-LLVKDONJSA-N 2 2 280.376 -0.047 20 0 CBADLP Cc1nc(N2CC[NH+](CCCO)CC2)nc(N)[nH+]1 ZINC000631086218 419474902 /nfs/dbraw/zinc/47/49/02/419474902.db2.gz PBHPFWINEMBWCS-UHFFFAOYSA-N 2 2 252.322 -0.733 20 0 CBADLP CN1CC[NH+](CCC[N@@H+]2CCC(=O)N(C)CC2)CCC1=O ZINC000661806610 419525114 /nfs/dbraw/zinc/52/51/14/419525114.db2.gz NAFOGSCRLGUYJP-UHFFFAOYSA-N 2 2 296.415 -0.295 20 0 CBADLP CN1CC[NH+](CCC[N@H+]2CCC(=O)N(C)CC2)CCC1=O ZINC000661806610 419525119 /nfs/dbraw/zinc/52/51/19/419525119.db2.gz NAFOGSCRLGUYJP-UHFFFAOYSA-N 2 2 296.415 -0.295 20 0 CBADLP CCOCCOCC[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000190255990 419534672 /nfs/dbraw/zinc/53/46/72/419534672.db2.gz UFOSBKPMQXJDPF-UHFFFAOYSA-N 2 2 287.404 -0.255 20 0 CBADLP CCOCCOCC[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000190255990 419534682 /nfs/dbraw/zinc/53/46/82/419534682.db2.gz UFOSBKPMQXJDPF-UHFFFAOYSA-N 2 2 287.404 -0.255 20 0 CBADLP OCCOCC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662146842 419548847 /nfs/dbraw/zinc/54/88/47/419548847.db2.gz BQVJPGWHWJGSAT-ZDUSSCGKSA-N 2 2 258.362 -0.474 20 0 CBADLP OCCOCC[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662146842 419548853 /nfs/dbraw/zinc/54/88/53/419548853.db2.gz BQVJPGWHWJGSAT-ZDUSSCGKSA-N 2 2 258.362 -0.474 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)[C@](C)(CO)C1 ZINC000662144102 419549182 /nfs/dbraw/zinc/54/91/82/419549182.db2.gz RYVCEPZZVRPNIS-RDBSUJKOSA-N 2 2 274.405 -0.124 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)[C@](C)(CO)C1 ZINC000662144102 419549190 /nfs/dbraw/zinc/54/91/90/419549190.db2.gz RYVCEPZZVRPNIS-RDBSUJKOSA-N 2 2 274.405 -0.124 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](C)[C@](C)(CO)C1 ZINC000662144102 419549196 /nfs/dbraw/zinc/54/91/96/419549196.db2.gz RYVCEPZZVRPNIS-RDBSUJKOSA-N 2 2 274.405 -0.124 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](C)[C@](C)(CO)C1 ZINC000662144102 419549204 /nfs/dbraw/zinc/54/92/04/419549204.db2.gz RYVCEPZZVRPNIS-RDBSUJKOSA-N 2 2 274.405 -0.124 20 0 CBADLP CC[C@H](C(N)=O)[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662154287 419550322 /nfs/dbraw/zinc/55/03/22/419550322.db2.gz GPAAKERZMQLRQH-VXGBXAGGSA-N 2 2 255.362 -0.219 20 0 CBADLP CC[C@H](C(N)=O)[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662154287 419550331 /nfs/dbraw/zinc/55/03/31/419550331.db2.gz GPAAKERZMQLRQH-VXGBXAGGSA-N 2 2 255.362 -0.219 20 0 CBADLP O=C([C@@H]1CCC[N@H+](C[C@@H]2C[NH2+]CCO2)C1)N1CC[NH2+]CC1 ZINC000662243511 419556920 /nfs/dbraw/zinc/55/69/20/419556920.db2.gz MKUZDCKRDNITRL-KGLIPLIRSA-N 3 2 296.415 -0.881 20 0 CBADLP O=C([C@@H]1CCC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1)N1CC[NH2+]CC1 ZINC000662243511 419556932 /nfs/dbraw/zinc/55/69/32/419556932.db2.gz MKUZDCKRDNITRL-KGLIPLIRSA-N 3 2 296.415 -0.881 20 0 CBADLP CCC(=O)N[C@@H]1CCC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662252969 419560917 /nfs/dbraw/zinc/56/09/17/419560917.db2.gz FCRQROYXGYNUBS-NEPJUHHUSA-N 2 2 255.362 -0.035 20 0 CBADLP CCC(=O)N[C@@H]1CCC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662252969 419560922 /nfs/dbraw/zinc/56/09/22/419560922.db2.gz FCRQROYXGYNUBS-NEPJUHHUSA-N 2 2 255.362 -0.035 20 0 CBADLP O=C1C[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CCN1C1CC1 ZINC000662254774 419561261 /nfs/dbraw/zinc/56/12/61/419561261.db2.gz LJYBKQOZHQHGDW-LBPRGKRZSA-N 2 2 265.357 -0.186 20 0 CBADLP O=C1C[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CCN1C1CC1 ZINC000662254774 419561269 /nfs/dbraw/zinc/56/12/69/419561269.db2.gz LJYBKQOZHQHGDW-LBPRGKRZSA-N 2 2 265.357 -0.186 20 0 CBADLP COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662252785 419562424 /nfs/dbraw/zinc/56/24/24/419562424.db2.gz OUDVIVYAWNJDFH-BFHYXJOUSA-N 2 2 299.415 -0.162 20 0 CBADLP COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662252785 419562429 /nfs/dbraw/zinc/56/24/29/419562429.db2.gz OUDVIVYAWNJDFH-BFHYXJOUSA-N 2 2 299.415 -0.162 20 0 CBADLP [NH3+]CCCOC1CC[NH+](C[C@H]2C[NH2+]CCO2)CC1 ZINC000662247675 419562860 /nfs/dbraw/zinc/56/28/60/419562860.db2.gz JAMURTLVLKQPIB-CYBMUJFWSA-N 3 2 257.378 -0.195 20 0 CBADLP C[C@H]([NH3+])[C@@H]1C[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000662248232 419563005 /nfs/dbraw/zinc/56/30/05/419563005.db2.gz WPESHRYVEGPZBO-SRVKXCTJSA-N 3 2 255.362 -0.445 20 0 CBADLP C[C@H]([NH3+])[C@@H]1C[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000662248232 419563009 /nfs/dbraw/zinc/56/30/09/419563009.db2.gz WPESHRYVEGPZBO-SRVKXCTJSA-N 3 2 255.362 -0.445 20 0 CBADLP COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662252786 419563989 /nfs/dbraw/zinc/56/39/89/419563989.db2.gz OUDVIVYAWNJDFH-MCIONIFRSA-N 2 2 299.415 -0.162 20 0 CBADLP COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662252786 419563994 /nfs/dbraw/zinc/56/39/94/419563994.db2.gz OUDVIVYAWNJDFH-MCIONIFRSA-N 2 2 299.415 -0.162 20 0 CBADLP COC[C@H](C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)OC ZINC000662266707 419566608 /nfs/dbraw/zinc/56/66/08/419566608.db2.gz LGNJXDMABGZFTI-OLZOCXBDSA-N 2 2 285.388 -0.456 20 0 CBADLP COC[C@H](C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)OC ZINC000662266707 419566611 /nfs/dbraw/zinc/56/66/11/419566611.db2.gz LGNJXDMABGZFTI-OLZOCXBDSA-N 2 2 285.388 -0.456 20 0 CBADLP CCN1CC[C@H]([N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1=O ZINC000662266780 419566917 /nfs/dbraw/zinc/56/69/17/419566917.db2.gz MHWDDKLUAZEBLL-OLZOCXBDSA-N 2 2 294.399 -0.497 20 0 CBADLP CCN1CC[C@H]([N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1=O ZINC000662266780 419566920 /nfs/dbraw/zinc/56/69/20/419566920.db2.gz MHWDDKLUAZEBLL-OLZOCXBDSA-N 2 2 294.399 -0.497 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C)C(O)[C@@H](C)C1 ZINC000661620166 419511853 /nfs/dbraw/zinc/51/18/53/419511853.db2.gz HUPFQZJWLSNZKV-AVGNSLFASA-N 2 2 274.405 -0.126 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C)C(O)[C@@H](C)C1 ZINC000661620166 419511857 /nfs/dbraw/zinc/51/18/57/419511857.db2.gz HUPFQZJWLSNZKV-AVGNSLFASA-N 2 2 274.405 -0.126 20 0 CBADLP CCN1CC[C@H]([N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1=O ZINC000662266788 419569895 /nfs/dbraw/zinc/56/98/95/419569895.db2.gz MHWDDKLUAZEBLL-STQMWFEESA-N 2 2 294.399 -0.497 20 0 CBADLP CCN1CC[C@H]([N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1=O ZINC000662266788 419569904 /nfs/dbraw/zinc/56/99/04/419569904.db2.gz MHWDDKLUAZEBLL-STQMWFEESA-N 2 2 294.399 -0.497 20 0 CBADLP CC[N@@H+]1CCC[C@H]1CNC(=O)CN1CC[NH2+]CC1=O ZINC000236839935 419573308 /nfs/dbraw/zinc/57/33/08/419573308.db2.gz FPORXEJXIHUHFN-NSHDSACASA-N 2 2 268.361 -0.981 20 0 CBADLP C[N@H+](CCc1nnn(C(C)(C)C)n1)C[C@H](O)C[NH3+] ZINC000662277888 419573320 /nfs/dbraw/zinc/57/33/20/419573320.db2.gz SUIOFLPYYWZNTR-SECBINFHSA-N 2 2 256.354 -0.778 20 0 CBADLP C[N@@H+](CCc1nnn(C(C)(C)C)n1)C[C@H](O)C[NH3+] ZINC000662277888 419573330 /nfs/dbraw/zinc/57/33/30/419573330.db2.gz SUIOFLPYYWZNTR-SECBINFHSA-N 2 2 256.354 -0.778 20 0 CBADLP CC[N@H+]1CCC[C@H]1CNC(=O)CN1CC[NH2+]CC1=O ZINC000236839935 419573319 /nfs/dbraw/zinc/57/33/19/419573319.db2.gz FPORXEJXIHUHFN-NSHDSACASA-N 2 2 268.361 -0.981 20 0 CBADLP CN1CC[N@H+](C)[C@H](CNc2nc(N)[nH+]c3c2CCCC3)C1 ZINC000645167083 419573470 /nfs/dbraw/zinc/57/34/70/419573470.db2.gz JKYKOJOFQISHIV-LLVKDONJSA-N 2 2 290.415 0.017 20 0 CBADLP CN1CC[N@@H+](C)[C@H](CNc2nc(N)[nH+]c3c2CCCC3)C1 ZINC000645167083 419573481 /nfs/dbraw/zinc/57/34/81/419573481.db2.gz JKYKOJOFQISHIV-LLVKDONJSA-N 2 2 290.415 0.017 20 0 CBADLP c1cnc(N[C@H]2CC[N@@H+](C[C@@H]3C[NH2+]CCO3)C2)nc1 ZINC000662282293 419574764 /nfs/dbraw/zinc/57/47/64/419574764.db2.gz FNSDJQIIQZBILV-RYUDHWBXSA-N 2 2 263.345 -0.049 20 0 CBADLP [NH3+]CC[N@H+](CCC(=O)Nc1ccccc1)C[C@H](O)CO ZINC000662287518 419577729 /nfs/dbraw/zinc/57/77/29/419577729.db2.gz BNZXTWVBSNMIHO-ZDUSSCGKSA-N 2 2 281.356 -0.371 20 0 CBADLP [NH3+]CC[N@@H+](CCC(=O)Nc1ccccc1)C[C@H](O)CO ZINC000662287518 419577736 /nfs/dbraw/zinc/57/77/36/419577736.db2.gz BNZXTWVBSNMIHO-ZDUSSCGKSA-N 2 2 281.356 -0.371 20 0 CBADLP [NH3+]CCN(Cc1ccc(-n2cc[nH+]c2)cc1)C[C@@H](O)CO ZINC000662287802 419578278 /nfs/dbraw/zinc/57/82/78/419578278.db2.gz JVQJRURLFNGFCX-OAHLLOKOSA-N 2 2 290.367 -0.014 20 0 CBADLP COc1cc[nH+]c(CN(CC[NH3+])C[C@H](O)CO)c1OC ZINC000662287989 419578457 /nfs/dbraw/zinc/57/84/57/419578457.db2.gz LLYFJTIZOIVGIO-JTQLQIEISA-N 2 2 285.344 -0.787 20 0 CBADLP Cc1ccc2[nH+]c(CN(CC[NH3+])C[C@@H](O)CO)cn2c1 ZINC000662287495 419578495 /nfs/dbraw/zinc/57/84/95/419578495.db2.gz BDPADHYEMNMXCX-CYBMUJFWSA-N 2 2 278.356 -0.243 20 0 CBADLP O=C(CC[NH2+]C1CC1)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000394381061 544581184 /nfs/dbraw/zinc/58/11/84/544581184.db2.gz CGANALFYTLGEQB-CYBMUJFWSA-N 2 2 266.389 -0.365 20 0 CBADLP O=C(CC[NH2+]C1CC1)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000394381061 544581187 /nfs/dbraw/zinc/58/11/87/544581187.db2.gz CGANALFYTLGEQB-CYBMUJFWSA-N 2 2 266.389 -0.365 20 0 CBADLP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)CN1CC[NH2+]CC1=O ZINC000237075731 419579564 /nfs/dbraw/zinc/57/95/64/419579564.db2.gz ILXOCWVRLNHWDG-CYBMUJFWSA-N 2 2 296.415 -0.249 20 0 CBADLP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)CN1CC[NH2+]CC1=O ZINC000237075731 419579568 /nfs/dbraw/zinc/57/95/68/419579568.db2.gz ILXOCWVRLNHWDG-CYBMUJFWSA-N 2 2 296.415 -0.249 20 0 CBADLP C[C@@H](C[NH+]1CCCCC1)NC(=O)CN1CC[NH2+]CC1=O ZINC000237496507 419580662 /nfs/dbraw/zinc/58/06/62/419580662.db2.gz LJIBTKGEVRHRHC-LBPRGKRZSA-N 2 2 282.388 -0.591 20 0 CBADLP [NH3+]CC[N@H+](CCCc1ccncc1)C[C@H](O)CO ZINC000662288933 419581572 /nfs/dbraw/zinc/58/15/72/419581572.db2.gz VOMKDQRMYGWUKK-ZDUSSCGKSA-N 2 2 253.346 -0.372 20 0 CBADLP [NH3+]CC[N@@H+](CCCc1ccncc1)C[C@H](O)CO ZINC000662288933 419581579 /nfs/dbraw/zinc/58/15/79/419581579.db2.gz VOMKDQRMYGWUKK-ZDUSSCGKSA-N 2 2 253.346 -0.372 20 0 CBADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)CN1CC[NH2+]CC1=O ZINC000237544216 419582527 /nfs/dbraw/zinc/58/25/27/419582527.db2.gz SXAGLHBSXQRRIN-NSHDSACASA-N 2 2 293.371 -0.624 20 0 CBADLP C[C@H]1CCC[N@H+](CCNC(=O)CN2CC[NH2+]CC2=O)C1 ZINC000237498035 419582844 /nfs/dbraw/zinc/58/28/44/419582844.db2.gz DZDBOPFIBXMRGW-LBPRGKRZSA-N 2 2 282.388 -0.734 20 0 CBADLP C[C@H]1CCC[N@@H+](CCNC(=O)CN2CC[NH2+]CC2=O)C1 ZINC000237498035 419582854 /nfs/dbraw/zinc/58/28/54/419582854.db2.gz DZDBOPFIBXMRGW-LBPRGKRZSA-N 2 2 282.388 -0.734 20 0 CBADLP C[NH+](C)CCC[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)CCO1 ZINC000662324207 419583752 /nfs/dbraw/zinc/58/37/52/419583752.db2.gz VZNVLBPZZFWZBV-GFCCVEGCSA-N 2 2 298.387 -0.419 20 0 CBADLP C[NH+](C)CCC[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)CCO1 ZINC000662324207 419583759 /nfs/dbraw/zinc/58/37/59/419583759.db2.gz VZNVLBPZZFWZBV-GFCCVEGCSA-N 2 2 298.387 -0.419 20 0 CBADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662327805 419584541 /nfs/dbraw/zinc/58/45/41/419584541.db2.gz VRTSDECCGZIKGY-KBPBESRZSA-N 3 2 273.421 -0.001 20 0 CBADLP C[NH2+]C[C@](C)(O)C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662327805 419584547 /nfs/dbraw/zinc/58/45/47/419584547.db2.gz VRTSDECCGZIKGY-KBPBESRZSA-N 3 2 273.421 -0.001 20 0 CBADLP Cn1cc(C[N@H+](C)C[C@H]2CCC3(C[NH2+]C3)O2)nn1 ZINC000662312836 419585846 /nfs/dbraw/zinc/58/58/46/419585846.db2.gz ZPSVNGJDKGTEGO-LLVKDONJSA-N 2 2 251.334 -0.232 20 0 CBADLP Cn1cc(C[N@@H+](C)C[C@H]2CCC3(C[NH2+]C3)O2)nn1 ZINC000662312836 419585856 /nfs/dbraw/zinc/58/58/56/419585856.db2.gz ZPSVNGJDKGTEGO-LLVKDONJSA-N 2 2 251.334 -0.232 20 0 CBADLP C[NH+](C)CCC[C@@H]1C[N@@H+]([C@H]2CCNC2=O)CCO1 ZINC000662321536 419586449 /nfs/dbraw/zinc/58/64/49/419586449.db2.gz RZYAXTCHTQDHEF-NEPJUHHUSA-N 2 2 255.362 -0.083 20 0 CBADLP C[NH+](C)CCC[C@@H]1C[N@H+]([C@H]2CCNC2=O)CCO1 ZINC000662321536 419586466 /nfs/dbraw/zinc/58/64/66/419586466.db2.gz RZYAXTCHTQDHEF-NEPJUHHUSA-N 2 2 255.362 -0.083 20 0 CBADLP [NH3+]CC[N@@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662338949 419590361 /nfs/dbraw/zinc/59/03/61/419590361.db2.gz XOBFITXDKTWFBS-GFCCVEGCSA-N 3 2 278.404 -0.043 20 0 CBADLP [NH3+]CC[N@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662338949 419590366 /nfs/dbraw/zinc/59/03/66/419590366.db2.gz XOBFITXDKTWFBS-GFCCVEGCSA-N 3 2 278.404 -0.043 20 0 CBADLP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@@H]([NH3+])C2)C1 ZINC000647482260 419591628 /nfs/dbraw/zinc/59/16/28/419591628.db2.gz RFXWWTOYCUAWOB-NWDGAFQWSA-N 3 2 254.378 -0.393 20 0 CBADLP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@@H]([NH3+])C2)C1 ZINC000647482260 419591632 /nfs/dbraw/zinc/59/16/32/419591632.db2.gz RFXWWTOYCUAWOB-NWDGAFQWSA-N 3 2 254.378 -0.393 20 0 CBADLP C[C@@]1(C[NH+]2CCC(NS(C)(=O)=O)CC2)CC[NH2+]C1 ZINC000647513539 419598504 /nfs/dbraw/zinc/59/85/04/419598504.db2.gz HCSKLRNDGQIQBK-GFCCVEGCSA-N 2 2 275.418 0.000 20 0 CBADLP C[N@H+](CCN1CCCS1(=O)=O)C[C@@H]1CCC[NH2+]C1 ZINC000647518119 419599000 /nfs/dbraw/zinc/59/90/00/419599000.db2.gz FQYWYTMVVMFENU-GFCCVEGCSA-N 2 2 275.418 -0.047 20 0 CBADLP C[N@@H+](CCN1CCCS1(=O)=O)C[C@@H]1CCC[NH2+]C1 ZINC000647518119 419599008 /nfs/dbraw/zinc/59/90/08/419599008.db2.gz FQYWYTMVVMFENU-GFCCVEGCSA-N 2 2 275.418 -0.047 20 0 CBADLP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)C1 ZINC000647534021 419603285 /nfs/dbraw/zinc/60/32/85/419603285.db2.gz DREBDJNWPWKAAV-HZSPNIEDSA-N 3 2 280.416 -0.133 20 0 CBADLP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)C1 ZINC000647534021 419603293 /nfs/dbraw/zinc/60/32/93/419603293.db2.gz DREBDJNWPWKAAV-HZSPNIEDSA-N 3 2 280.416 -0.133 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@](CO)(OC)C1 ZINC000401791256 544586013 /nfs/dbraw/zinc/58/60/13/544586013.db2.gz HDLFYFMHVKCOCM-KGLIPLIRSA-N 2 2 290.404 -0.601 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@](CO)(OC)C1 ZINC000401791256 544586014 /nfs/dbraw/zinc/58/60/14/544586014.db2.gz HDLFYFMHVKCOCM-KGLIPLIRSA-N 2 2 290.404 -0.601 20 0 CBADLP Cn1cc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)c(=O)n(C)c1=O ZINC000647553988 419606327 /nfs/dbraw/zinc/60/63/27/419606327.db2.gz ONJNZVCQDDNGEV-LBPRGKRZSA-N 2 2 292.383 -0.152 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@](CO)(OC)C1 ZINC000401791256 544586017 /nfs/dbraw/zinc/58/60/17/544586017.db2.gz HDLFYFMHVKCOCM-KGLIPLIRSA-N 2 2 290.404 -0.601 20 0 CBADLP CCOCC[NH+]1CCN(C(=O)[C@@H]([NH3+])COC(C)C)CC1 ZINC000662454288 419611063 /nfs/dbraw/zinc/61/10/63/419611063.db2.gz IKQWADZGSAQSJS-ZDUSSCGKSA-N 2 2 287.404 -0.081 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@H]1CO ZINC000310924601 419619118 /nfs/dbraw/zinc/61/91/18/419619118.db2.gz SXYPNBTZOHWROG-STQMWFEESA-N 2 2 260.378 -0.228 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@H]1CO ZINC000310924601 419619127 /nfs/dbraw/zinc/61/91/27/419619127.db2.gz SXYPNBTZOHWROG-STQMWFEESA-N 2 2 260.378 -0.228 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@H]1CO ZINC000310924601 419619138 /nfs/dbraw/zinc/61/91/38/419619138.db2.gz SXYPNBTZOHWROG-STQMWFEESA-N 2 2 260.378 -0.228 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@H]1CO ZINC000310924601 419619148 /nfs/dbraw/zinc/61/91/48/419619148.db2.gz SXYPNBTZOHWROG-STQMWFEESA-N 2 2 260.378 -0.228 20 0 CBADLP C[NH+](C)CC(=O)NC[C@H](NC(=O)C[NH+](C)C)C(F)(F)F ZINC000647613443 419623410 /nfs/dbraw/zinc/62/34/10/419623410.db2.gz WCEUXRRFDLULDT-QMMMGPOBSA-N 2 2 298.309 -0.727 20 0 CBADLP CN(C)C(=O)C[NH+]1CCN(C(=O)CC[C@@H]2CCC[NH2+]2)CC1 ZINC000315234117 419626955 /nfs/dbraw/zinc/62/69/55/419626955.db2.gz PPQCGMQLRXBHPX-ZDUSSCGKSA-N 2 2 296.415 -0.249 20 0 CBADLP CC[C@@H]([NH2+]C)C(=O)NCC[NH+]1CCN(C(C)=O)CC1 ZINC000662526094 419630944 /nfs/dbraw/zinc/63/09/44/419630944.db2.gz QUUKCBHFZYTFCH-GFCCVEGCSA-N 2 2 270.377 -0.735 20 0 CBADLP C[NH+]1CCN(C(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)CC1 ZINC000662523962 419631191 /nfs/dbraw/zinc/63/11/91/419631191.db2.gz RYCUYWDUGMMGOZ-JTQLQIEISA-N 2 2 263.345 -0.126 20 0 CBADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)COCC[NH3+] ZINC000662629744 419661030 /nfs/dbraw/zinc/66/10/30/419661030.db2.gz HBBKRCXVKLZRLW-MNOVXSKESA-N 2 2 259.350 -0.813 20 0 CBADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)COCC[NH3+] ZINC000662629744 419661032 /nfs/dbraw/zinc/66/10/32/419661032.db2.gz HBBKRCXVKLZRLW-MNOVXSKESA-N 2 2 259.350 -0.813 20 0 CBADLP O=C(N1CC[NH+]([C@@H]2CCOC2)CC1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000662657205 419668701 /nfs/dbraw/zinc/66/87/01/419668701.db2.gz XTIXASVDMQPCKM-GUTXKFCHSA-N 2 2 295.383 -0.845 20 0 CBADLP [NH3+][C@H](CC(F)F)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000662656993 419669715 /nfs/dbraw/zinc/66/97/15/419669715.db2.gz VXAGMOFXVKHHIH-NXEZZACHSA-N 2 2 277.315 -0.098 20 0 CBADLP CCC(CC)[C@@H](CNC(=O)C1(O)C[NH2+]C1)[NH+]1CCOCC1 ZINC000662673879 419678102 /nfs/dbraw/zinc/67/81/02/419678102.db2.gz ROQVSFIKACAJBX-CYBMUJFWSA-N 2 2 299.415 -0.426 20 0 CBADLP CCN(CC)c1ccc(CNC(=O)C2(O)C[NH2+]C2)c[nH+]1 ZINC000662675638 419678308 /nfs/dbraw/zinc/67/83/08/419678308.db2.gz ONGOJUQVOLHQFC-UHFFFAOYSA-N 2 2 278.356 -0.122 20 0 CBADLP C[N@H+]1CCN(C(=O)[C@H]2C[NH2+]CCC2(F)F)[C@H](C[NH3+])C1 ZINC000647874208 419681717 /nfs/dbraw/zinc/68/17/17/419681717.db2.gz IMHAKJVDTTXVLD-NXEZZACHSA-N 3 2 276.331 -0.668 20 0 CBADLP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)CN1CC[NH2+]CC1=O ZINC000662693250 419685862 /nfs/dbraw/zinc/68/58/62/419685862.db2.gz HXDHJDNQRFGYJJ-ZDUSSCGKSA-N 2 2 296.415 -0.345 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1CCO[C@H]1C[NH3+])Cn1cc[nH+]c1 ZINC000662689318 419686839 /nfs/dbraw/zinc/68/68/39/419686839.db2.gz UINFPOCLUNBWQS-UTUOFQBUSA-N 2 2 266.345 -0.001 20 0 CBADLP CC(C)C[C@H]([NH3+])CN(CCO)CC[NH+]1CCOCC1 ZINC000414696611 544590201 /nfs/dbraw/zinc/59/02/01/544590201.db2.gz GPQPJKRJYOTNEW-AWEZNQCLSA-N 2 2 273.421 -0.014 20 0 CBADLP CC(C)OC[C@H]([NH3+])C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000662699619 419688678 /nfs/dbraw/zinc/68/86/78/419688678.db2.gz CQUBGYMTKWMGSE-NEPJUHHUSA-N 2 2 273.377 -0.424 20 0 CBADLP CC(C)OC[C@H]([NH3+])C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000662699619 419688682 /nfs/dbraw/zinc/68/86/82/419688682.db2.gz CQUBGYMTKWMGSE-NEPJUHHUSA-N 2 2 273.377 -0.424 20 0 CBADLP O=C(NCC[N@@H+]1CCc2sccc2C1)C1(O)C[NH2+]C1 ZINC000662694250 419688705 /nfs/dbraw/zinc/68/87/05/419688705.db2.gz OMFNAHOOTYJDOF-UHFFFAOYSA-N 2 2 281.381 -0.443 20 0 CBADLP O=C(NCC[N@H+]1CCc2sccc2C1)C1(O)C[NH2+]C1 ZINC000662694250 419688710 /nfs/dbraw/zinc/68/87/10/419688710.db2.gz OMFNAHOOTYJDOF-UHFFFAOYSA-N 2 2 281.381 -0.443 20 0 CBADLP [NH3+][C@H]1CCC[C@@H](NC(=O)NCC[NH+]2CCOCC2)C1 ZINC000416431661 544590884 /nfs/dbraw/zinc/59/08/84/544590884.db2.gz CBFLSPDGKZTKIP-NWDGAFQWSA-N 2 2 270.377 -0.112 20 0 CBADLP CC[C@@H]1C[N@H+](CC(=O)N[C@H](C)C(=O)N(C)C)CC[C@H]1[NH3+] ZINC000647936540 419693204 /nfs/dbraw/zinc/69/32/04/419693204.db2.gz GXLJGTSWPGNWBE-IJLUTSLNSA-N 2 2 284.404 -0.362 20 0 CBADLP CC[C@@H]1C[N@@H+](CC(=O)N[C@H](C)C(=O)N(C)C)CC[C@H]1[NH3+] ZINC000647936540 419693215 /nfs/dbraw/zinc/69/32/15/419693215.db2.gz GXLJGTSWPGNWBE-IJLUTSLNSA-N 2 2 284.404 -0.362 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCn3cncc3C2)CC1 ZINC000647940660 419693871 /nfs/dbraw/zinc/69/38/71/419693871.db2.gz PEVZLTQIMJNVHI-UHFFFAOYSA-N 2 2 277.372 -0.137 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCn3cncc3C2)CC1 ZINC000647940660 419693876 /nfs/dbraw/zinc/69/38/76/419693876.db2.gz PEVZLTQIMJNVHI-UHFFFAOYSA-N 2 2 277.372 -0.137 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCn3c[nH+]cc3C2)CC1 ZINC000647940660 419693886 /nfs/dbraw/zinc/69/38/86/419693886.db2.gz PEVZLTQIMJNVHI-UHFFFAOYSA-N 3 2 277.372 -0.137 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCn3c[nH+]cc3C2)CC1 ZINC000647940660 419693893 /nfs/dbraw/zinc/69/38/93/419693893.db2.gz PEVZLTQIMJNVHI-UHFFFAOYSA-N 3 2 277.372 -0.137 20 0 CBADLP O=C(N1CC[NH+](Cc2cccc(O)c2)CC1)C1(O)C[NH2+]C1 ZINC000662709958 419694998 /nfs/dbraw/zinc/69/49/98/419694998.db2.gz FOTIVJVNFQPTAP-UHFFFAOYSA-N 2 2 291.351 -0.629 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000662714595 419697755 /nfs/dbraw/zinc/69/77/55/419697755.db2.gz JJNDSYBRBRRJDF-GRYCIOLGSA-N 2 2 271.361 -0.813 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000662714595 419697760 /nfs/dbraw/zinc/69/77/60/419697760.db2.gz JJNDSYBRBRRJDF-GRYCIOLGSA-N 2 2 271.361 -0.813 20 0 CBADLP CNC(=O)[C@@H]1CCC[N@@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC000647960620 419699878 /nfs/dbraw/zinc/69/98/78/419699878.db2.gz AFDQBVZHBBFJIW-RYUDHWBXSA-N 2 2 257.378 -0.102 20 0 CBADLP CNC(=O)[C@@H]1CCC[N@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC000647960620 419699886 /nfs/dbraw/zinc/69/98/86/419699886.db2.gz AFDQBVZHBBFJIW-RYUDHWBXSA-N 2 2 257.378 -0.102 20 0 CBADLP CNC(=O)[C@@H]1CCC[NH+]1C[C@@H](O)C[N@H+](C)C(C)C ZINC000647960620 419699891 /nfs/dbraw/zinc/69/98/91/419699891.db2.gz AFDQBVZHBBFJIW-RYUDHWBXSA-N 2 2 257.378 -0.102 20 0 CBADLP CNC(=O)[C@@H]1CCC[NH+]1C[C@@H](O)C[N@@H+](C)C(C)C ZINC000647960620 419699898 /nfs/dbraw/zinc/69/98/98/419699898.db2.gz AFDQBVZHBBFJIW-RYUDHWBXSA-N 2 2 257.378 -0.102 20 0 CBADLP CC[NH+](CC)CC(=O)N1CC[NH+](CCc2cn[nH]n2)CC1 ZINC000647962577 419700472 /nfs/dbraw/zinc/70/04/72/419700472.db2.gz FUAIDLMWJHOKQV-UHFFFAOYSA-N 2 2 294.403 -0.167 20 0 CBADLP C[C@@H](NC(=O)C[N@H+](C)C1CC([NH3+])C1)C(=O)N(C)C ZINC000647982805 419701486 /nfs/dbraw/zinc/70/14/86/419701486.db2.gz LXYMGZZAZUQEMA-XNWIYYODSA-N 2 2 256.350 -0.999 20 0 CBADLP C[C@@H](NC(=O)C[N@@H+](C)C1CC([NH3+])C1)C(=O)N(C)C ZINC000647982805 419701493 /nfs/dbraw/zinc/70/14/93/419701493.db2.gz LXYMGZZAZUQEMA-XNWIYYODSA-N 2 2 256.350 -0.999 20 0 CBADLP COCCN1CCC[N@H+](C[C@H]2CC[NH2+]C2)CC1=O ZINC000647990807 419704728 /nfs/dbraw/zinc/70/47/28/419704728.db2.gz JGVKWKXZCUZERD-LBPRGKRZSA-N 2 2 255.362 -0.223 20 0 CBADLP COCCN1CCC[N@@H+](C[C@H]2CC[NH2+]C2)CC1=O ZINC000647990807 419704730 /nfs/dbraw/zinc/70/47/30/419704730.db2.gz JGVKWKXZCUZERD-LBPRGKRZSA-N 2 2 255.362 -0.223 20 0 CBADLP COCC[NH2+]CC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000662630691 419658469 /nfs/dbraw/zinc/65/84/69/419658469.db2.gz MOWGUHQXJXQCIP-VXGBXAGGSA-N 2 2 273.377 -0.552 20 0 CBADLP COCC[NH2+]CC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000662630691 419658472 /nfs/dbraw/zinc/65/84/72/419658472.db2.gz MOWGUHQXJXQCIP-VXGBXAGGSA-N 2 2 273.377 -0.552 20 0 CBADLP CC(C)OC[C@H]([NH3+])C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000662633430 419659675 /nfs/dbraw/zinc/65/96/75/419659675.db2.gz LAGLFMWIBFZCKC-UPJWGTAASA-N 2 2 287.404 -0.036 20 0 CBADLP CC(C)OC[C@H]([NH3+])C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000662633430 419659684 /nfs/dbraw/zinc/65/96/84/419659684.db2.gz LAGLFMWIBFZCKC-UPJWGTAASA-N 2 2 287.404 -0.036 20 0 CBADLP CC(C)OC[C@H]([NH3+])C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000662633432 419660232 /nfs/dbraw/zinc/66/02/32/419660232.db2.gz LAGLFMWIBFZCKC-XQQFMLRXSA-N 2 2 287.404 -0.036 20 0 CBADLP CC(C)OC[C@H]([NH3+])C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000662633432 419660238 /nfs/dbraw/zinc/66/02/38/419660238.db2.gz LAGLFMWIBFZCKC-XQQFMLRXSA-N 2 2 287.404 -0.036 20 0 CBADLP CO[C@H](C[NH3+])CC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000662633075 419660619 /nfs/dbraw/zinc/66/06/19/419660619.db2.gz JEYSJHXEJGWXPE-TUAOUCFPSA-N 2 2 273.377 -0.424 20 0 CBADLP CO[C@H](C[NH3+])CC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000662633075 419660626 /nfs/dbraw/zinc/66/06/26/419660626.db2.gz JEYSJHXEJGWXPE-TUAOUCFPSA-N 2 2 273.377 -0.424 20 0 CBADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C1(O)C[NH2+]C1 ZINC000662796337 419730304 /nfs/dbraw/zinc/73/03/04/419730304.db2.gz XMFSCHMDVKWACA-SNVBAGLBSA-N 2 2 262.313 -0.889 20 0 CBADLP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C1(O)C[NH2+]C1 ZINC000662797285 419731660 /nfs/dbraw/zinc/73/16/60/419731660.db2.gz XMMIAZVCGJZPLT-UHFFFAOYSA-N 2 2 285.388 -0.863 20 0 CBADLP Cc1cccc2[nH+]c(CCNC(=O)C3(O)C[NH2+]C3)cn21 ZINC000662825421 419741746 /nfs/dbraw/zinc/74/17/46/419741746.db2.gz UJNDHHVMOYABIJ-UHFFFAOYSA-N 2 2 274.324 -0.364 20 0 CBADLP COCCOCC[NH+]1CCN(C(=O)[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000662831585 419742142 /nfs/dbraw/zinc/74/21/42/419742142.db2.gz FGEQDPTXHVVTQI-JOCQHMNTSA-N 2 2 285.388 -0.469 20 0 CBADLP COC[C@]1(C(=O)NCC[N@@H+]2C[C@H](C)OC[C@H]2C)CCC[NH2+]1 ZINC000662858407 419750471 /nfs/dbraw/zinc/75/04/71/419750471.db2.gz GVTCOYRBUMXSGB-IPYPFGDCSA-N 2 2 299.415 -0.020 20 0 CBADLP COC[C@]1(C(=O)NCC[N@H+]2C[C@H](C)OC[C@H]2C)CCC[NH2+]1 ZINC000662858407 419750480 /nfs/dbraw/zinc/75/04/80/419750480.db2.gz GVTCOYRBUMXSGB-IPYPFGDCSA-N 2 2 299.415 -0.020 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CSC[NH2+]2)[C@H](C)CO1 ZINC000662859281 419750527 /nfs/dbraw/zinc/75/05/27/419750527.db2.gz MGLNQCQXCQISAQ-MXWKQRLJSA-N 2 2 273.402 -0.126 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2CSC[NH2+]2)[C@H](C)CO1 ZINC000662859281 419750537 /nfs/dbraw/zinc/75/05/37/419750537.db2.gz MGLNQCQXCQISAQ-MXWKQRLJSA-N 2 2 273.402 -0.126 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)[C@H](C)CO1 ZINC000662858702 419751435 /nfs/dbraw/zinc/75/14/35/419751435.db2.gz HMQCJTHJFFCIRA-KVSVUVNWSA-N 2 2 267.373 -0.323 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)[C@H](C)CO1 ZINC000662858702 419751446 /nfs/dbraw/zinc/75/14/46/419751446.db2.gz HMQCJTHJFFCIRA-KVSVUVNWSA-N 2 2 267.373 -0.323 20 0 CBADLP [NH3+][C@H]1C[C@@H](C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000662870356 419755647 /nfs/dbraw/zinc/75/56/47/419755647.db2.gz FGMFQAQYUYGAIM-TUAOUCFPSA-N 2 2 253.346 -0.343 20 0 CBADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000430796325 544592791 /nfs/dbraw/zinc/59/27/91/544592791.db2.gz YLKZZIUFDHGWPP-MNOVXSKESA-N 2 2 282.388 -0.478 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)COC2(C)C[NH2+]C2)[C@@H](C)CO1 ZINC000662860686 419756738 /nfs/dbraw/zinc/75/67/38/419756738.db2.gz UEULEDDLOULOAY-RYUDHWBXSA-N 2 2 285.388 -0.410 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)COC2(C)C[NH2+]C2)[C@@H](C)CO1 ZINC000662860686 419756744 /nfs/dbraw/zinc/75/67/44/419756744.db2.gz UEULEDDLOULOAY-RYUDHWBXSA-N 2 2 285.388 -0.410 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1CCC[C@@H]1[NH3+])[NH+]1CCN(C)CC1 ZINC000431013530 544593344 /nfs/dbraw/zinc/59/33/44/544593344.db2.gz YPSIYXIUBGRFGQ-UPJWGTAASA-N 2 2 268.405 -0.134 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)NC2C[NH+](C(C)C)C2)[N@H+](C)C1 ZINC000457726121 544595047 /nfs/dbraw/zinc/59/50/47/544595047.db2.gz RKCGQISQAYQPKX-RYUDHWBXSA-N 2 2 255.362 -0.086 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)NC2C[NH+](C(C)C)C2)[N@@H+](C)C1 ZINC000457726121 544595054 /nfs/dbraw/zinc/59/50/54/544595054.db2.gz RKCGQISQAYQPKX-RYUDHWBXSA-N 2 2 255.362 -0.086 20 0 CBADLP CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000662921505 419775581 /nfs/dbraw/zinc/77/55/81/419775581.db2.gz BZMQADOIIJETCD-UHFFFAOYSA-N 2 2 282.388 -0.511 20 0 CBADLP CN(CCC[NH3+])C(=O)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000662927003 419778575 /nfs/dbraw/zinc/77/85/75/419778575.db2.gz YLDSDKBRLONRGM-LLVKDONJSA-N 2 2 293.371 -0.077 20 0 CBADLP C[C@H](CC[N@H+](C)[C@H]1CCNC1=O)[NH+](C)[C@@H]1CCNC1=O ZINC000535378886 544603058 /nfs/dbraw/zinc/60/30/58/544603058.db2.gz GAOQYRRASUWTRR-GRYCIOLGSA-N 2 2 282.388 -0.594 20 0 CBADLP C[C@H](CC[N@@H+](C)[C@H]1CCNC1=O)[NH+](C)[C@@H]1CCNC1=O ZINC000535378886 544603060 /nfs/dbraw/zinc/60/30/60/544603060.db2.gz GAOQYRRASUWTRR-GRYCIOLGSA-N 2 2 282.388 -0.594 20 0 CBADLP C[C@H](CC[NH+](C)[C@H]1CCNC1=O)[N@H+](C)[C@@H]1CCNC1=O ZINC000535378886 544603061 /nfs/dbraw/zinc/60/30/61/544603061.db2.gz GAOQYRRASUWTRR-GRYCIOLGSA-N 2 2 282.388 -0.594 20 0 CBADLP C[C@H](CC[NH+](C)[C@H]1CCNC1=O)[N@@H+](C)[C@@H]1CCNC1=O ZINC000535378886 544603063 /nfs/dbraw/zinc/60/30/63/544603063.db2.gz GAOQYRRASUWTRR-GRYCIOLGSA-N 2 2 282.388 -0.594 20 0 CBADLP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)CCc1[nH]cc[nH+]1 ZINC000649070260 419831466 /nfs/dbraw/zinc/83/14/66/419831466.db2.gz LAMLHAUUURQENB-LLVKDONJSA-N 2 2 293.371 -0.079 20 0 CBADLP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)Cc1c[nH+]cn1C ZINC000649071146 419832470 /nfs/dbraw/zinc/83/24/70/419832470.db2.gz DCGBUOKSKTYYPT-LLVKDONJSA-N 2 2 293.371 -0.459 20 0 CBADLP C[C@@H]1CCCN(C(=O)C(=O)N(C)Cc2c[nH+]c[nH]2)[C@@H]1C[NH3+] ZINC000662959169 419794681 /nfs/dbraw/zinc/79/46/81/419794681.db2.gz ZYJYDNJPQLOKOE-ZYHUDNBSSA-N 2 2 293.371 -0.046 20 0 CBADLP C[C@@H]1CCCN(C(=O)C(=O)N(C)Cc2c[nH]c[nH+]2)[C@@H]1C[NH3+] ZINC000662959169 419794684 /nfs/dbraw/zinc/79/46/84/419794684.db2.gz ZYJYDNJPQLOKOE-ZYHUDNBSSA-N 2 2 293.371 -0.046 20 0 CBADLP CN(Cc1c[nH+]c[nH]1)C(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000662964943 419795188 /nfs/dbraw/zinc/79/51/88/419795188.db2.gz BGZUEBYGELNBMV-PHIMTYICSA-N 2 2 291.355 -0.279 20 0 CBADLP CN(Cc1c[nH]c[nH+]1)C(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000662964943 419795195 /nfs/dbraw/zinc/79/51/95/419795195.db2.gz BGZUEBYGELNBMV-PHIMTYICSA-N 2 2 291.355 -0.279 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649293824 419867653 /nfs/dbraw/zinc/86/76/53/419867653.db2.gz KQDNRWPSKOSDIG-QCNOEVLYSA-N 2 2 253.346 -0.426 20 0 CBADLP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000649303615 419869622 /nfs/dbraw/zinc/86/96/22/419869622.db2.gz LSGLAFKXGPULND-MQYQWHSLSA-N 2 2 279.384 -0.225 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)[C@]2(C)CCC[NH2+]2)CCO1 ZINC000649312178 419873117 /nfs/dbraw/zinc/87/31/17/419873117.db2.gz WUYINLSNFIUVKZ-AAEUAGOBSA-N 2 2 255.362 -0.035 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)[C@]2(C)CCC[NH2+]2)CCO1 ZINC000649312178 419873124 /nfs/dbraw/zinc/87/31/24/419873124.db2.gz WUYINLSNFIUVKZ-AAEUAGOBSA-N 2 2 255.362 -0.035 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CCO1 ZINC000649312356 419875453 /nfs/dbraw/zinc/87/54/53/419875453.db2.gz JUUUTXPGAZXIMK-WYUUTHIRSA-N 2 2 253.346 -0.711 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CCO1 ZINC000649312356 419875459 /nfs/dbraw/zinc/87/54/59/419875459.db2.gz JUUUTXPGAZXIMK-WYUUTHIRSA-N 2 2 253.346 -0.711 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)COC1(C)C[NH2+]C1 ZINC000649320602 419884376 /nfs/dbraw/zinc/88/43/76/419884376.db2.gz OUWVLISBAHMUJN-NSHDSACASA-N 2 2 271.361 -0.798 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)COC1(C)C[NH2+]C1 ZINC000649320602 419884380 /nfs/dbraw/zinc/88/43/80/419884380.db2.gz OUWVLISBAHMUJN-NSHDSACASA-N 2 2 271.361 -0.798 20 0 CBADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)N=c1nc[nH]n1C ZINC000664195707 419886009 /nfs/dbraw/zinc/88/60/09/419886009.db2.gz NMLJUNHNEXUMDV-NSHDSACASA-N 2 2 254.382 -0.079 20 0 CBADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)N=c1nc[nH]n1C ZINC000664195707 419886012 /nfs/dbraw/zinc/88/60/12/419886012.db2.gz NMLJUNHNEXUMDV-NSHDSACASA-N 2 2 254.382 -0.079 20 0 CBADLP Cn1ncnc1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000664253689 419892568 /nfs/dbraw/zinc/89/25/68/419892568.db2.gz QXTCYHZUKDOJPE-LLVKDONJSA-N 2 2 292.387 -0.287 20 0 CBADLP Cn1ncnc1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000664253689 419892572 /nfs/dbraw/zinc/89/25/72/419892572.db2.gz QXTCYHZUKDOJPE-LLVKDONJSA-N 2 2 292.387 -0.287 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3COCC[NH2+]3)C2)CC1 ZINC000649334040 419894427 /nfs/dbraw/zinc/89/44/27/419894427.db2.gz DARXMUJAGAIODI-JSGCOSHPSA-N 3 2 296.415 -0.741 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3COCC[NH2+]3)C2)CC1 ZINC000649334040 419894434 /nfs/dbraw/zinc/89/44/34/419894434.db2.gz DARXMUJAGAIODI-JSGCOSHPSA-N 3 2 296.415 -0.741 20 0 CBADLP COC1CC[NH+](CCNc2nc[nH+]c3c2OCCN3)CC1 ZINC000665705296 544613922 /nfs/dbraw/zinc/61/39/22/544613922.db2.gz IHRHLOHQHWVOAH-UHFFFAOYSA-N 2 2 293.371 -0.084 20 0 CBADLP C[C@H](O)C[NH+]1CCN(c2nc[nH+]c3c2OCCN3)CC1 ZINC000665697977 544614548 /nfs/dbraw/zinc/61/45/48/544614548.db2.gz FUJWTFXVBPQPLR-JTQLQIEISA-N 2 2 279.344 -0.216 20 0 CBADLP C[C@@H](NC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)c1[nH+]ccn1C ZINC000667248808 544657951 /nfs/dbraw/zinc/65/79/51/544657951.db2.gz HBUSKSNXKUISMK-VWYCJHECSA-N 2 2 281.360 -0.203 20 0 CBADLP C[NH+](C)C1CC[NH+](CCNC(=O)COC2(C)C[NH2+]C2)CC1 ZINC000649343105 419900954 /nfs/dbraw/zinc/90/09/54/419900954.db2.gz FBRWCWUGXABEFQ-UHFFFAOYSA-N 3 2 298.431 -0.493 20 0 CBADLP Cc1[nH+]cc(CN(C)C[C@@H](O)C[NH+]2CCOCC2)n1C ZINC000667659517 544669178 /nfs/dbraw/zinc/66/91/78/544669178.db2.gz JGIXDRUWRCPEPY-CQSZACIVSA-N 2 2 282.388 -0.147 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@@H]1CCOC1 ZINC000664512334 419907498 /nfs/dbraw/zinc/90/74/98/419907498.db2.gz AGFUIFBOCXDXIR-GFCCVEGCSA-N 2 2 272.393 -0.042 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@@H]1CCOC1 ZINC000664512334 419907502 /nfs/dbraw/zinc/90/75/02/419907502.db2.gz AGFUIFBOCXDXIR-GFCCVEGCSA-N 2 2 272.393 -0.042 20 0 CBADLP Cn1cc(N2CC[C@@H]([N@H+](C)CCC[NH3+])C2=O)cn1 ZINC000649409953 419909100 /nfs/dbraw/zinc/90/91/00/419909100.db2.gz DDFKBAMZZBLUTF-LLVKDONJSA-N 2 2 251.334 -0.194 20 0 CBADLP Cn1cc(N2CC[C@@H]([N@@H+](C)CCC[NH3+])C2=O)cn1 ZINC000649409953 419909106 /nfs/dbraw/zinc/90/91/06/419909106.db2.gz DDFKBAMZZBLUTF-LLVKDONJSA-N 2 2 251.334 -0.194 20 0 CBADLP CN(C)S(=O)(=O)NCC[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000668147843 544686990 /nfs/dbraw/zinc/68/69/90/544686990.db2.gz XVLAAXHGLOFKKK-UHFFFAOYSA-N 2 2 287.389 -0.685 20 0 CBADLP C[C@H]([NH3+])CNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000668618284 544711845 /nfs/dbraw/zinc/71/18/45/544711845.db2.gz CFUYXGGZRKLWTR-JTQLQIEISA-N 2 2 258.366 -0.256 20 0 CBADLP CC1(C)COCC[N@@H+]1CCNC(=O)NC/C=C/C[NH3+] ZINC000669457158 544749436 /nfs/dbraw/zinc/74/94/36/544749436.db2.gz UYAUJLZBVKMELW-ONEGZZNKSA-N 2 2 270.377 -0.089 20 0 CBADLP CC1(C)COCC[N@H+]1CCNC(=O)NC/C=C/C[NH3+] ZINC000669457158 544749440 /nfs/dbraw/zinc/74/94/40/544749440.db2.gz UYAUJLZBVKMELW-ONEGZZNKSA-N 2 2 270.377 -0.089 20 0 CBADLP CC1(C)C[N@H+](CCNC(=O)NC/C=C/C[NH3+])CCO1 ZINC000669439245 544749878 /nfs/dbraw/zinc/74/98/78/544749878.db2.gz BFLASCALIJONBA-ONEGZZNKSA-N 2 2 270.377 -0.089 20 0 CBADLP CC1(C)C[N@@H+](CCNC(=O)NC/C=C/C[NH3+])CCO1 ZINC000669439245 544749881 /nfs/dbraw/zinc/74/98/81/544749881.db2.gz BFLASCALIJONBA-ONEGZZNKSA-N 2 2 270.377 -0.089 20 0 CBADLP C[N@@H+]1CCN(C(=O)CC[C@@H]2CCC[NH2+]2)[C@H](C[NH3+])C1 ZINC000669512575 544751043 /nfs/dbraw/zinc/75/10/43/544751043.db2.gz FDUZYRVFWJKQRN-NWDGAFQWSA-N 3 2 254.378 -0.380 20 0 CBADLP C[N@H+]1CCN(C(=O)CC[C@@H]2CCC[NH2+]2)[C@H](C[NH3+])C1 ZINC000669512575 544751049 /nfs/dbraw/zinc/75/10/49/544751049.db2.gz FDUZYRVFWJKQRN-NWDGAFQWSA-N 3 2 254.378 -0.380 20 0 CBADLP C[C@@H](NC(=O)N1CC[NH2+][C@H](C)C1)[C@H]1C[N@H+](C)CCO1 ZINC000669538169 544752337 /nfs/dbraw/zinc/75/23/37/544752337.db2.gz BXUYVXJAQPYWAI-IJLUTSLNSA-N 2 2 270.377 -0.291 20 0 CBADLP C[C@@H](NC(=O)N1CC[NH2+][C@H](C)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000669538169 544752339 /nfs/dbraw/zinc/75/23/39/544752339.db2.gz BXUYVXJAQPYWAI-IJLUTSLNSA-N 2 2 270.377 -0.291 20 0 CBADLP C[C@@H]1C[C@@H](NC(=O)N2CC[NH+](C)C[C@@H]2C[NH3+])C[N@@H+]1C1CC1 ZINC000669524696 544752611 /nfs/dbraw/zinc/75/26/11/544752611.db2.gz ZIANSXUTKKJTKZ-BZPMIXESSA-N 3 2 295.431 -0.104 20 0 CBADLP C[C@@H]1C[C@@H](NC(=O)N2CC[NH+](C)C[C@@H]2C[NH3+])C[N@H+]1C1CC1 ZINC000669524696 544752615 /nfs/dbraw/zinc/75/26/15/544752615.db2.gz ZIANSXUTKKJTKZ-BZPMIXESSA-N 3 2 295.431 -0.104 20 0 CBADLP C[C@@H]1C[C@@H](NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])C[NH+]1C1CC1 ZINC000669524696 544752620 /nfs/dbraw/zinc/75/26/20/544752620.db2.gz ZIANSXUTKKJTKZ-BZPMIXESSA-N 3 2 295.431 -0.104 20 0 CBADLP C[C@@H]1C[C@@H](NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])C[NH+]1C1CC1 ZINC000669524696 544752621 /nfs/dbraw/zinc/75/26/21/544752621.db2.gz ZIANSXUTKKJTKZ-BZPMIXESSA-N 3 2 295.431 -0.104 20 0 CBADLP C[C@H](NC(=O)NCC(F)(F)C[NH3+])[C@@H]1C[N@H+](C)CCO1 ZINC000669538515 544753596 /nfs/dbraw/zinc/75/35/96/544753596.db2.gz VCVVWMFXEPTEMM-IUCAKERBSA-N 2 2 280.319 -0.401 20 0 CBADLP C[C@H](NC(=O)NCC(F)(F)C[NH3+])[C@@H]1C[N@@H+](C)CCO1 ZINC000669538515 544753602 /nfs/dbraw/zinc/75/36/02/544753602.db2.gz VCVVWMFXEPTEMM-IUCAKERBSA-N 2 2 280.319 -0.401 20 0 CBADLP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)CC(=O)N1CCCC1 ZINC000669926996 544767800 /nfs/dbraw/zinc/76/78/00/544767800.db2.gz KLEKLZWPTONXTK-UHFFFAOYSA-N 2 2 296.415 -0.295 20 0 CBADLP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)CC(=O)N1CCCC1 ZINC000669926996 544767806 /nfs/dbraw/zinc/76/78/06/544767806.db2.gz KLEKLZWPTONXTK-UHFFFAOYSA-N 2 2 296.415 -0.295 20 0 CBADLP C[C@H](CC[N@@H+]1CCOC[C@@H](O)C1)[NH+]1CCOC[C@@H](O)C1 ZINC000664772698 419917139 /nfs/dbraw/zinc/91/71/39/419917139.db2.gz IMPBLEYWHLPHMR-RDBSUJKOSA-N 2 2 288.388 -0.849 20 0 CBADLP C[C@H](CC[N@H+]1CCOC[C@@H](O)C1)[NH+]1CCOC[C@@H](O)C1 ZINC000664772698 419917143 /nfs/dbraw/zinc/91/71/43/419917143.db2.gz IMPBLEYWHLPHMR-RDBSUJKOSA-N 2 2 288.388 -0.849 20 0 CBADLP C[C@H](CC[NH+]1CCOC[C@@H](O)C1)[N@@H+]1CCOC[C@@H](O)C1 ZINC000664772698 419917145 /nfs/dbraw/zinc/91/71/45/419917145.db2.gz IMPBLEYWHLPHMR-RDBSUJKOSA-N 2 2 288.388 -0.849 20 0 CBADLP C[C@H](CC[NH+]1CCOC[C@@H](O)C1)[N@H+]1CCOC[C@@H](O)C1 ZINC000664772698 419917147 /nfs/dbraw/zinc/91/71/47/419917147.db2.gz IMPBLEYWHLPHMR-RDBSUJKOSA-N 2 2 288.388 -0.849 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000671153106 544805667 /nfs/dbraw/zinc/80/56/67/544805667.db2.gz HUDLVHMJCONRCL-NEPJUHHUSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000671153106 544805672 /nfs/dbraw/zinc/80/56/72/544805672.db2.gz HUDLVHMJCONRCL-NEPJUHHUSA-N 2 2 293.371 -0.402 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NC[C@H]1CNC(=O)C1 ZINC000665129523 419931355 /nfs/dbraw/zinc/93/13/55/419931355.db2.gz VMAFYGMISXMXON-GFCCVEGCSA-N 2 2 299.419 -0.695 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NC[C@H]1CNC(=O)C1 ZINC000665129523 419931359 /nfs/dbraw/zinc/93/13/59/419931359.db2.gz VMAFYGMISXMXON-GFCCVEGCSA-N 2 2 299.419 -0.695 20 0 CBADLP C[NH+](C)CCN1CCN(Cc2cc[nH+]c(N)c2)CC1=O ZINC000649685981 419925018 /nfs/dbraw/zinc/92/50/18/419925018.db2.gz UKTTWDDBJOCGSA-UHFFFAOYSA-N 2 2 277.372 -0.130 20 0 CBADLP C[NH+](C)CCN1CC[N@H+](CC2(C)COC2)CC1=O ZINC000649687566 419927245 /nfs/dbraw/zinc/92/72/45/419927245.db2.gz WUDODURHZZEJLO-UHFFFAOYSA-N 2 2 255.362 -0.271 20 0 CBADLP C[NH+](C)CCN1CC[N@@H+](CC2(C)COC2)CC1=O ZINC000649687566 419927248 /nfs/dbraw/zinc/92/72/48/419927248.db2.gz WUDODURHZZEJLO-UHFFFAOYSA-N 2 2 255.362 -0.271 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+][C@H](CO)C2CCOCC2)CC1 ZINC000359894537 419992375 /nfs/dbraw/zinc/99/23/75/419992375.db2.gz MOWQVZRDPRLMSJ-CYBMUJFWSA-N 2 2 285.388 -0.863 20 0 CBADLP C[C@H](C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1)S(C)(=O)=O ZINC000665299991 419937927 /nfs/dbraw/zinc/93/79/27/419937927.db2.gz VXOSXZLKZXXUGM-JLLWLGSASA-N 2 2 276.402 -0.224 20 0 CBADLP CO[C@@H]1CC[N@H+](CCCS(=O)(=O)N(C)C)[C@@H](C[NH3+])C1 ZINC000359040905 419938508 /nfs/dbraw/zinc/93/85/08/419938508.db2.gz IQKIHURQWZLUNP-VXGBXAGGSA-N 2 2 293.433 -0.294 20 0 CBADLP CO[C@@H]1CC[N@@H+](CCCS(=O)(=O)N(C)C)[C@@H](C[NH3+])C1 ZINC000359040905 419938511 /nfs/dbraw/zinc/93/85/11/419938511.db2.gz IQKIHURQWZLUNP-VXGBXAGGSA-N 2 2 293.433 -0.294 20 0 CBADLP C[C@H]1CN(C)C[C@H]1[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665292096 419938940 /nfs/dbraw/zinc/93/89/40/419938940.db2.gz SGSIAIJWVHLORH-WCBMZHEXSA-N 2 2 251.334 -0.319 20 0 CBADLP CC[NH+]1CCC(NC(=O)C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000359306556 419956937 /nfs/dbraw/zinc/95/69/37/419956937.db2.gz MMXWEXRUDFFRBD-STQMWFEESA-N 3 2 280.416 -0.262 20 0 CBADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCCNS(C)(=O)=O)C1 ZINC000359684025 419977946 /nfs/dbraw/zinc/97/79/46/419977946.db2.gz YZZURLCVAHHXFY-GHMZBOCLSA-N 2 2 263.407 -0.145 20 0 CBADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCCNS(C)(=O)=O)C1 ZINC000359684025 419977953 /nfs/dbraw/zinc/97/79/53/419977953.db2.gz YZZURLCVAHHXFY-GHMZBOCLSA-N 2 2 263.407 -0.145 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H](C)C[NH+]2CCOCC2)C1 ZINC000359954039 419997557 /nfs/dbraw/zinc/99/75/57/419997557.db2.gz IABXHSMERCLNDK-CHWSQXEVSA-N 2 2 285.388 -0.456 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@H](C)C[NH+]2CCOCC2)C1 ZINC000359954039 419997560 /nfs/dbraw/zinc/99/75/60/419997560.db2.gz IABXHSMERCLNDK-CHWSQXEVSA-N 2 2 285.388 -0.456 20 0 CBADLP C[NH+]1CCN(CCCNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000360185534 420009774 /nfs/dbraw/zinc/00/97/74/420009774.db2.gz ZPPQSMOOBOOCLL-ZDUSSCGKSA-N 2 2 284.404 -0.929 20 0 CBADLP C[NH+]1CCN(CCCNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000360185534 420009781 /nfs/dbraw/zinc/00/97/81/420009781.db2.gz ZPPQSMOOBOOCLL-ZDUSSCGKSA-N 2 2 284.404 -0.929 20 0 CBADLP CN1CC[NH+](CCCNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000360185534 420009785 /nfs/dbraw/zinc/00/97/85/420009785.db2.gz ZPPQSMOOBOOCLL-ZDUSSCGKSA-N 2 2 284.404 -0.929 20 0 CBADLP CN1CC[NH+](CCCNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000360185534 420009788 /nfs/dbraw/zinc/00/97/88/420009788.db2.gz ZPPQSMOOBOOCLL-ZDUSSCGKSA-N 2 2 284.404 -0.929 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000364209564 420031695 /nfs/dbraw/zinc/03/16/95/420031695.db2.gz CGXVKHFEYFSBNG-DYEKYZERSA-N 2 2 267.373 -0.177 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)N2CCn3c[nH+]cc3C2)C1 ZINC000365758953 420069327 /nfs/dbraw/zinc/06/93/27/420069327.db2.gz ILYMZYUWDZIRQS-LBPRGKRZSA-N 2 2 264.329 -0.054 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)N2CCn3c[nH+]cc3C2)C1 ZINC000365758953 420069331 /nfs/dbraw/zinc/06/93/31/420069331.db2.gz ILYMZYUWDZIRQS-LBPRGKRZSA-N 2 2 264.329 -0.054 20 0 CBADLP C[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC[N@@H+]1CCO ZINC000364913200 420048503 /nfs/dbraw/zinc/04/85/03/420048503.db2.gz FPHLLAXZVCOPEH-OLZOCXBDSA-N 2 2 292.383 -0.030 20 0 CBADLP C[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC[N@H+]1CCO ZINC000364913200 420048505 /nfs/dbraw/zinc/04/85/05/420048505.db2.gz FPHLLAXZVCOPEH-OLZOCXBDSA-N 2 2 292.383 -0.030 20 0 CBADLP CN1CC[N@H+](C)[C@@H](CNC(=O)NCCC2(C[NH3+])CC2)C1 ZINC000652150478 420050280 /nfs/dbraw/zinc/05/02/80/420050280.db2.gz XWYPECCZXBSZAY-LBPRGKRZSA-N 2 2 283.420 -0.340 20 0 CBADLP CN1CC[N@@H+](C)[C@@H](CNC(=O)NCCC2(C[NH3+])CC2)C1 ZINC000652150478 420050284 /nfs/dbraw/zinc/05/02/84/420050284.db2.gz XWYPECCZXBSZAY-LBPRGKRZSA-N 2 2 283.420 -0.340 20 0 CBADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000652338484 420056851 /nfs/dbraw/zinc/05/68/51/420056851.db2.gz IRCYTTVFDMPABV-AGIUHOORSA-N 2 2 258.362 -0.163 20 0 CBADLP C[NH2+]C[C@](C)(O)C[N@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000652338484 420056855 /nfs/dbraw/zinc/05/68/55/420056855.db2.gz IRCYTTVFDMPABV-AGIUHOORSA-N 2 2 258.362 -0.163 20 0 CBADLP CCO[C@@H]1C[N@@H+]([C@H](C)C(=O)NC[C@H]2CCCO2)C[C@H]1C[NH3+] ZINC000652358254 420058755 /nfs/dbraw/zinc/05/87/55/420058755.db2.gz OWOFTJMFZXBRJD-AAVRWANBSA-N 2 2 299.415 -0.034 20 0 CBADLP CCO[C@@H]1C[N@H+]([C@H](C)C(=O)NC[C@H]2CCCO2)C[C@H]1C[NH3+] ZINC000652358254 420058760 /nfs/dbraw/zinc/05/87/60/420058760.db2.gz OWOFTJMFZXBRJD-AAVRWANBSA-N 2 2 299.415 -0.034 20 0 CBADLP O=C(C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)N1CCC1 ZINC000365569430 420064067 /nfs/dbraw/zinc/06/40/67/420064067.db2.gz KGISDAGOSTZETO-ZDUSSCGKSA-N 2 2 267.373 -0.127 20 0 CBADLP O=C(C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)N1CCC1 ZINC000365569430 420064070 /nfs/dbraw/zinc/06/40/70/420064070.db2.gz KGISDAGOSTZETO-ZDUSSCGKSA-N 2 2 267.373 -0.127 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)NCc2c[nH+]c(N(C)C)n2C)C1 ZINC000365723980 420065605 /nfs/dbraw/zinc/06/56/05/420065605.db2.gz NWPBXOHCFMKEGV-LBPRGKRZSA-N 2 2 295.387 -0.177 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)NCc2c[nH+]c(N(C)C)n2C)C1 ZINC000365723980 420065608 /nfs/dbraw/zinc/06/56/08/420065608.db2.gz NWPBXOHCFMKEGV-LBPRGKRZSA-N 2 2 295.387 -0.177 20 0 CBADLP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000652889068 420097072 /nfs/dbraw/zinc/09/70/72/420097072.db2.gz FVCJJXVIPYSRFJ-CHWSQXEVSA-N 2 2 267.373 -0.252 20 0 CBADLP C[N@H+]1CCCC[C@@H]1C(=O)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000652889068 420097074 /nfs/dbraw/zinc/09/70/74/420097074.db2.gz FVCJJXVIPYSRFJ-CHWSQXEVSA-N 2 2 267.373 -0.252 20 0 CBADLP C[NH+]1CCCC[C@@H]1C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000652889068 420097077 /nfs/dbraw/zinc/09/70/77/420097077.db2.gz FVCJJXVIPYSRFJ-CHWSQXEVSA-N 2 2 267.373 -0.252 20 0 CBADLP C[NH+]1CCCC[C@@H]1C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000652889068 420097080 /nfs/dbraw/zinc/09/70/80/420097080.db2.gz FVCJJXVIPYSRFJ-CHWSQXEVSA-N 2 2 267.373 -0.252 20 0 CBADLP CN(C)C(=O)C[N@@H+]1CCCN(C(=O)C[NH+](C)C)CC1 ZINC000368756657 420141868 /nfs/dbraw/zinc/14/18/68/420141868.db2.gz SWTILBWCNJZUSH-UHFFFAOYSA-N 2 2 270.377 -0.830 20 0 CBADLP CN(C)C(=O)C[N@H+]1CCCN(C(=O)C[NH+](C)C)CC1 ZINC000368756657 420141870 /nfs/dbraw/zinc/14/18/70/420141870.db2.gz SWTILBWCNJZUSH-UHFFFAOYSA-N 2 2 270.377 -0.830 20 0 CBADLP C[NH+](C)CC[C@@H](N)C(=O)NCCNc1cccc[nH+]1 ZINC000653346085 420141907 /nfs/dbraw/zinc/14/19/07/420141907.db2.gz HYWLNPLCGFMIPR-LLVKDONJSA-N 2 2 265.361 -0.111 20 0 CBADLP COC[C@H]([NH3+])C(=O)NCC1([NH+]2CCOCC2)CCCC1 ZINC000367508008 420107182 /nfs/dbraw/zinc/10/71/82/420107182.db2.gz QSTFZSSEAWTPQB-LBPRGKRZSA-N 2 2 285.388 -0.279 20 0 CBADLP C[NH2+]CCC(=O)N1CC[NH+](C2(C(N)=O)CCCCC2)CC1 ZINC000367505600 420108591 /nfs/dbraw/zinc/10/85/91/420108591.db2.gz CHOGODAMFFYHAC-UHFFFAOYSA-N 2 2 296.415 -0.072 20 0 CBADLP COC[C@@H]([NH3+])C(=O)NCC1([NH+]2CCOCC2)CCCC1 ZINC000367508007 420108733 /nfs/dbraw/zinc/10/87/33/420108733.db2.gz QSTFZSSEAWTPQB-GFCCVEGCSA-N 2 2 285.388 -0.279 20 0 CBADLP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653044985 420110823 /nfs/dbraw/zinc/11/08/23/420110823.db2.gz MUHLKNNIGKYDOF-TUAOUCFPSA-N 3 2 256.394 -0.006 20 0 CBADLP CCCN(CC(=O)N(C)C)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653076390 420112921 /nfs/dbraw/zinc/11/29/21/420112921.db2.gz UEDZRCMMFIFUSC-LLVKDONJSA-N 2 2 272.393 -0.408 20 0 CBADLP Cn1cc[nH+]c1CN1CCCN(C(=O)C2C[NH2+]C2)CC1 ZINC000367819639 420115405 /nfs/dbraw/zinc/11/54/05/420115405.db2.gz DIYMLHDHNULPTP-UHFFFAOYSA-N 2 2 277.372 -0.326 20 0 CBADLP Cn1ccnc1C[N@@H+]1CCCN(C(=O)C2C[NH2+]C2)CC1 ZINC000367819639 420115410 /nfs/dbraw/zinc/11/54/10/420115410.db2.gz DIYMLHDHNULPTP-UHFFFAOYSA-N 2 2 277.372 -0.326 20 0 CBADLP Cn1ccnc1C[N@H+]1CCCN(C(=O)C2C[NH2+]C2)CC1 ZINC000367819639 420115414 /nfs/dbraw/zinc/11/54/14/420115414.db2.gz DIYMLHDHNULPTP-UHFFFAOYSA-N 2 2 277.372 -0.326 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000653102144 420116336 /nfs/dbraw/zinc/11/63/36/420116336.db2.gz OYSZBBMJYTVTAF-GHMZBOCLSA-N 2 2 284.404 -0.219 20 0 CBADLP CC(C)(CNC(=O)[C@]12C[NH2+]C[C@H]1COC2)[NH+]1CCOCC1 ZINC000653105208 420116918 /nfs/dbraw/zinc/11/69/18/420116918.db2.gz KRGAXANBXFGHEK-WFASDCNBSA-N 2 2 297.399 -0.551 20 0 CBADLP CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000653117129 420118395 /nfs/dbraw/zinc/11/83/95/420118395.db2.gz AMXHAPOYZXQDAN-CHWSQXEVSA-N 3 2 268.405 -0.040 20 0 CBADLP CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000653117129 420118398 /nfs/dbraw/zinc/11/83/98/420118398.db2.gz AMXHAPOYZXQDAN-CHWSQXEVSA-N 3 2 268.405 -0.040 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000653117925 420118504 /nfs/dbraw/zinc/11/85/04/420118504.db2.gz ZPPBFKHMJXYPAB-QWHCGFSZSA-N 3 2 268.405 -0.134 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000653117925 420118508 /nfs/dbraw/zinc/11/85/08/420118508.db2.gz ZPPBFKHMJXYPAB-QWHCGFSZSA-N 3 2 268.405 -0.134 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)[N@H+](C)C1CC1 ZINC000653116707 420118886 /nfs/dbraw/zinc/11/88/86/420118886.db2.gz PLPJSUFOPJTFJB-JQWIXIFHSA-N 3 2 256.394 -0.136 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)[N@@H+](C)C1CC1 ZINC000653116707 420118892 /nfs/dbraw/zinc/11/88/92/420118892.db2.gz PLPJSUFOPJTFJB-JQWIXIFHSA-N 3 2 256.394 -0.136 20 0 CBADLP C[C@H]([C@H](C)NC(=O)[C@@H](N)CC[NH+](C)C)[NH+]1CCOCC1 ZINC000653117327 420118979 /nfs/dbraw/zinc/11/89/79/420118979.db2.gz IQPQRLCRJHHBCM-XQQFMLRXSA-N 2 2 286.420 -0.509 20 0 CBADLP C[NH+](C)CC[C@@H](N)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000653114224 420120459 /nfs/dbraw/zinc/12/04/59/420120459.db2.gz ANOBBYJTMDQBCE-GFCCVEGCSA-N 2 2 286.420 -0.508 20 0 CBADLP C[NH+](C)CC[C@@H](N)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000653114224 420120462 /nfs/dbraw/zinc/12/04/62/420120462.db2.gz ANOBBYJTMDQBCE-GFCCVEGCSA-N 2 2 286.420 -0.508 20 0 CBADLP Cn1cc[nH+]c1CNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653116876 420120570 /nfs/dbraw/zinc/12/05/70/420120570.db2.gz XJSIUGAIVKZLKY-CABZTGNLSA-N 2 2 250.302 -0.728 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCCC[C@H]1CC[NH3+] ZINC000653140361 420121932 /nfs/dbraw/zinc/12/19/32/420121932.db2.gz ZWIMJXCSALBDOB-NWDGAFQWSA-N 3 2 256.394 -0.005 20 0 CBADLP CCN1CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C(C)(C)C1=O ZINC000653160044 420124634 /nfs/dbraw/zinc/12/46/34/420124634.db2.gz WFCMUHKLKMEBAQ-NSHDSACASA-N 2 2 284.404 -0.265 20 0 CBADLP O=C(Cc1cn2c([nH+]1)CCCC2)NC[C@H]1C[NH2+]CCO1 ZINC000653163409 420124735 /nfs/dbraw/zinc/12/47/35/420124735.db2.gz XPMKEEHIHZFKEO-GFCCVEGCSA-N 2 2 278.356 -0.134 20 0 CBADLP CC[C@](NC(=O)[C@H]([NH3+])CC[NH+](C)C)(C(N)=O)C(C)C ZINC000653154565 420124923 /nfs/dbraw/zinc/12/49/23/420124923.db2.gz VIQDURIWGSVBJR-ZWNOBZJWSA-N 2 2 272.393 -0.328 20 0 CBADLP CN(C[C@@H]1CCC[C@H]1O)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653157133 420125081 /nfs/dbraw/zinc/12/50/81/420125081.db2.gz VQIDVYNDJGWFLL-SDDRHHMPSA-N 2 2 257.378 -0.115 20 0 CBADLP C[C@@H]1CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C[C@@H]1C[NH3+] ZINC000653163000 420125181 /nfs/dbraw/zinc/12/51/81/420125181.db2.gz AIRIXWATPZSXSC-GRYCIOLGSA-N 3 2 256.394 -0.291 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCO[C@@H](C(=O)C2CC2)C1 ZINC000653160146 420125220 /nfs/dbraw/zinc/12/52/20/420125220.db2.gz ZHJNMOMTJVRDPT-NWDGAFQWSA-N 2 2 283.372 -0.528 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@@H]1CCN(C(C)(C)C)C1=O ZINC000653167113 420126707 /nfs/dbraw/zinc/12/67/07/420126707.db2.gz JKMSRVYWYHGXEL-GHMZBOCLSA-N 2 2 284.404 -0.219 20 0 CBADLP C[NH2+]CCCC(=O)N1CC[NH+](CCOCCOC)CC1 ZINC000653275350 420133917 /nfs/dbraw/zinc/13/39/17/420133917.db2.gz CSYYCRZFZLBUIU-UHFFFAOYSA-N 2 2 287.404 -0.207 20 0 CBADLP COCCOCC[NH+]1CCN(C(=O)[C@H]2CC[NH2+][C@@H]2C)CC1 ZINC000653275857 420134365 /nfs/dbraw/zinc/13/43/65/420134365.db2.gz PGDKRNUNIOTVTA-KGLIPLIRSA-N 2 2 299.415 -0.208 20 0 CBADLP COCCOCC[NH+]1CCN(C(=O)C2(C)C[NH2+]C2)CC1 ZINC000653274368 420134503 /nfs/dbraw/zinc/13/45/03/420134503.db2.gz DTGMSRJRKAVIDJ-UHFFFAOYSA-N 2 2 285.388 -0.597 20 0 CBADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)NCC(=O)N1CCCC1 ZINC000653298600 420137938 /nfs/dbraw/zinc/13/79/38/420137938.db2.gz XCVCGXBWNDLIAS-RYUDHWBXSA-N 2 2 282.388 -0.463 20 0 CBADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)NCC(=O)N1CCCC1 ZINC000653298600 420137940 /nfs/dbraw/zinc/13/79/40/420137940.db2.gz XCVCGXBWNDLIAS-RYUDHWBXSA-N 2 2 282.388 -0.463 20 0 CBADLP O=C(NCCC[NH+]1CCOCC1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000368649664 420138981 /nfs/dbraw/zinc/13/89/81/420138981.db2.gz HQJZPSLHJCWHES-JTQLQIEISA-N 2 2 277.315 -0.178 20 0 CBADLP CC[C@@H](C)[C@@H]([NH3+])C(=O)N[C@@H]1C[NH2+][C@@H](C(=O)OC)C1 ZINC000366167790 420078267 /nfs/dbraw/zinc/07/82/67/420078267.db2.gz CUGRCHDKVSGAEH-UTINFBMNSA-N 2 2 257.334 -0.621 20 0 CBADLP O=C(NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1)[C@H]1COCC[NH2+]1 ZINC000366343623 420083880 /nfs/dbraw/zinc/08/38/80/420083880.db2.gz BLKYNAQPLGRWJV-BFHYXJOUSA-N 2 2 297.399 -0.408 20 0 CBADLP C[NH+](C)C/C=C/C(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000366461036 420085342 /nfs/dbraw/zinc/08/53/42/420085342.db2.gz YZQAYDWIZRRTOZ-RUULKOMLSA-N 2 2 253.346 -0.354 20 0 CBADLP C[NH+](C)C/C=C/C(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000366461036 420085348 /nfs/dbraw/zinc/08/53/48/420085348.db2.gz YZQAYDWIZRRTOZ-RUULKOMLSA-N 2 2 253.346 -0.354 20 0 CBADLP CC(C)NC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C)C[NH3+])CC1 ZINC000375912974 420194494 /nfs/dbraw/zinc/19/44/94/420194494.db2.gz SHTPCCJDQYLCBI-LBPRGKRZSA-N 2 2 284.404 -0.360 20 0 CBADLP CC(C)NC(=O)C[N@H+]1CCCN(C(=O)[C@@H](C)C[NH3+])CC1 ZINC000375912974 420194497 /nfs/dbraw/zinc/19/44/97/420194497.db2.gz SHTPCCJDQYLCBI-LBPRGKRZSA-N 2 2 284.404 -0.360 20 0 CBADLP CC(C)[C@H]([NH3+])c1cn(C[C@@H](O)C[NH+]2CCOCC2)nn1 ZINC000380963180 420197843 /nfs/dbraw/zinc/19/78/43/420197843.db2.gz QFTXTPKFFCMBDU-AAEUAGOBSA-N 2 2 283.376 -0.373 20 0 CBADLP C[C@](O)(CNC(=O)C[NH+]1CC(C)(C)C1)C[NH+]1CCOCC1 ZINC000654848443 420198836 /nfs/dbraw/zinc/19/88/36/420198836.db2.gz RBISGNWZNFFCFX-HNNXBMFYSA-N 2 2 299.415 -0.472 20 0 CBADLP C[N@H+](C[C@H](O)C[NH2+]C[C@@H]1CCCS1(=O)=O)C1CC1 ZINC000386495525 420202938 /nfs/dbraw/zinc/20/29/38/420202938.db2.gz YGUUAAJCLVMLGP-NEPJUHHUSA-N 2 2 276.402 -0.392 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH2+]C[C@@H]1CCCS1(=O)=O)C1CC1 ZINC000386495525 420202944 /nfs/dbraw/zinc/20/29/44/420202944.db2.gz YGUUAAJCLVMLGP-NEPJUHHUSA-N 2 2 276.402 -0.392 20 0 CBADLP CC[N@H+](C)C[C@H](O)CN1CC[NH+](CC(=O)N(C)C)CC1 ZINC000653489178 420147046 /nfs/dbraw/zinc/14/70/46/420147046.db2.gz MLNJIEUOJDWBOJ-ZDUSSCGKSA-N 2 2 286.420 -0.995 20 0 CBADLP CC[N@@H+](C)C[C@H](O)CN1CC[NH+](CC(=O)N(C)C)CC1 ZINC000653489178 420147049 /nfs/dbraw/zinc/14/70/49/420147049.db2.gz MLNJIEUOJDWBOJ-ZDUSSCGKSA-N 2 2 286.420 -0.995 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](n2cncn2)C1 ZINC000653623647 420152912 /nfs/dbraw/zinc/15/29/12/420152912.db2.gz KMEBGCWWQVEFNR-VXGBXAGGSA-N 2 2 253.350 -0.163 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](n2cncn2)C1 ZINC000653623647 420152918 /nfs/dbraw/zinc/15/29/18/420152918.db2.gz KMEBGCWWQVEFNR-VXGBXAGGSA-N 2 2 253.350 -0.163 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000653623647 420152927 /nfs/dbraw/zinc/15/29/27/420152927.db2.gz KMEBGCWWQVEFNR-VXGBXAGGSA-N 2 2 253.350 -0.163 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000653623647 420152934 /nfs/dbraw/zinc/15/29/34/420152934.db2.gz KMEBGCWWQVEFNR-VXGBXAGGSA-N 2 2 253.350 -0.163 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](CC(N)=O)C1 ZINC000653675719 420154626 /nfs/dbraw/zinc/15/46/26/420154626.db2.gz MVWWIUBGOVYLPT-NWDGAFQWSA-N 2 2 273.377 -0.877 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](CC(N)=O)C1 ZINC000653675719 420154628 /nfs/dbraw/zinc/15/46/28/420154628.db2.gz MVWWIUBGOVYLPT-NWDGAFQWSA-N 2 2 273.377 -0.877 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](CC(N)=O)C1 ZINC000653675719 420154630 /nfs/dbraw/zinc/15/46/30/420154630.db2.gz MVWWIUBGOVYLPT-NWDGAFQWSA-N 2 2 273.377 -0.877 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](CC(N)=O)C1 ZINC000653675719 420154633 /nfs/dbraw/zinc/15/46/33/420154633.db2.gz MVWWIUBGOVYLPT-NWDGAFQWSA-N 2 2 273.377 -0.877 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)C1(CO)CCOCC1 ZINC000653638414 420155195 /nfs/dbraw/zinc/15/51/95/420155195.db2.gz XMUAMRQNFCDCTG-ZDUSSCGKSA-N 2 2 290.404 -0.601 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)C1(CO)CCOCC1 ZINC000653638414 420155198 /nfs/dbraw/zinc/15/51/98/420155198.db2.gz XMUAMRQNFCDCTG-ZDUSSCGKSA-N 2 2 290.404 -0.601 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)C1(CO)CCOCC1 ZINC000653638414 420155200 /nfs/dbraw/zinc/15/52/00/420155200.db2.gz XMUAMRQNFCDCTG-ZDUSSCGKSA-N 2 2 290.404 -0.601 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)C1(CO)CCOCC1 ZINC000653638414 420155204 /nfs/dbraw/zinc/15/52/04/420155204.db2.gz XMUAMRQNFCDCTG-ZDUSSCGKSA-N 2 2 290.404 -0.601 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]2C(=O)N(C)C[C@H]21 ZINC000653666545 420155333 /nfs/dbraw/zinc/15/53/33/420155333.db2.gz WBFSXPWIMKUZPY-MGPQQGTHSA-N 2 2 299.415 -0.522 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]2C(=O)N(C)C[C@H]21 ZINC000653666545 420155336 /nfs/dbraw/zinc/15/53/36/420155336.db2.gz WBFSXPWIMKUZPY-MGPQQGTHSA-N 2 2 299.415 -0.522 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H]2C(=O)N(C)C[C@H]21 ZINC000653666545 420155339 /nfs/dbraw/zinc/15/53/39/420155339.db2.gz WBFSXPWIMKUZPY-MGPQQGTHSA-N 2 2 299.415 -0.522 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H]2C(=O)N(C)C[C@H]21 ZINC000653666545 420155342 /nfs/dbraw/zinc/15/53/42/420155342.db2.gz WBFSXPWIMKUZPY-MGPQQGTHSA-N 2 2 299.415 -0.522 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](O)C[C@H]1COC ZINC000653778523 420161102 /nfs/dbraw/zinc/16/11/02/420161102.db2.gz CLVHRNXKLUNKDV-XQQFMLRXSA-N 2 2 276.377 -0.993 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](O)C[C@H]1COC ZINC000653778523 420161105 /nfs/dbraw/zinc/16/11/05/420161105.db2.gz CLVHRNXKLUNKDV-XQQFMLRXSA-N 2 2 276.377 -0.993 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](O)C[C@H]1COC ZINC000653778523 420161109 /nfs/dbraw/zinc/16/11/09/420161109.db2.gz CLVHRNXKLUNKDV-XQQFMLRXSA-N 2 2 276.377 -0.993 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](O)C[C@H]1COC ZINC000653778523 420161113 /nfs/dbraw/zinc/16/11/13/420161113.db2.gz CLVHRNXKLUNKDV-XQQFMLRXSA-N 2 2 276.377 -0.993 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@](O)(CC(N)=O)C1 ZINC000653773123 420161672 /nfs/dbraw/zinc/16/16/72/420161672.db2.gz ZGJMMGYCCRGUHM-WCQYABFASA-N 2 2 273.377 -0.999 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@](O)(CC(N)=O)C1 ZINC000653773123 420161676 /nfs/dbraw/zinc/16/16/76/420161676.db2.gz ZGJMMGYCCRGUHM-WCQYABFASA-N 2 2 273.377 -0.999 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@](O)(CC(N)=O)C1 ZINC000653773123 420161681 /nfs/dbraw/zinc/16/16/81/420161681.db2.gz ZGJMMGYCCRGUHM-WCQYABFASA-N 2 2 273.377 -0.999 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@](O)(CC(N)=O)C1 ZINC000653773123 420161684 /nfs/dbraw/zinc/16/16/84/420161684.db2.gz ZGJMMGYCCRGUHM-WCQYABFASA-N 2 2 273.377 -0.999 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000369690605 420164204 /nfs/dbraw/zinc/16/42/04/420164204.db2.gz WQTDADRCZCRYDM-ZDUSSCGKSA-N 2 2 285.388 -0.454 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000369690605 420164206 /nfs/dbraw/zinc/16/42/06/420164206.db2.gz WQTDADRCZCRYDM-ZDUSSCGKSA-N 2 2 285.388 -0.454 20 0 CBADLP C[NH+](C)CCNC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000369984296 420172381 /nfs/dbraw/zinc/17/23/81/420172381.db2.gz LBHBRJMOWTZUCA-UHFFFAOYSA-N 2 2 255.362 -0.081 20 0 CBADLP C[N@@H+](CC(N)=O)C[C@@H]1CN(CCC[NH+]2CCCC2)CCO1 ZINC000370314937 420175537 /nfs/dbraw/zinc/17/55/37/420175537.db2.gz PAGVQBYIWHKPIT-CQSZACIVSA-N 2 2 298.431 -0.410 20 0 CBADLP C[N@H+](CC(N)=O)C[C@@H]1CN(CCC[NH+]2CCCC2)CCO1 ZINC000370314937 420175543 /nfs/dbraw/zinc/17/55/43/420175543.db2.gz PAGVQBYIWHKPIT-CQSZACIVSA-N 2 2 298.431 -0.410 20 0 CBADLP CC(C)[C@H]([NH3+])C(=O)N1CC[NH+](C2(C(N)=O)CCCC2)CC1 ZINC000370268519 420176299 /nfs/dbraw/zinc/17/62/99/420176299.db2.gz YTRSXZQMXYJNGM-LBPRGKRZSA-N 2 2 296.415 -0.088 20 0 CBADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](CCO)CC2)C1 ZINC000370493950 420180250 /nfs/dbraw/zinc/18/02/50/420180250.db2.gz XXXKXTSGQCUTAV-ZDUSSCGKSA-N 2 2 285.388 -0.768 20 0 CBADLP CC(C)[N@H+]1CCO[C@H](C(=O)N2CC[NH+](CCO)CC2)C1 ZINC000370493950 420180254 /nfs/dbraw/zinc/18/02/54/420180254.db2.gz XXXKXTSGQCUTAV-ZDUSSCGKSA-N 2 2 285.388 -0.768 20 0 CBADLP CCO[C@@H]1C[N@H+](CCS(=O)(=O)N(C)C)C[C@H]1C[NH3+] ZINC000405274554 420227243 /nfs/dbraw/zinc/22/72/43/420227243.db2.gz WXTRIWNDTISNOT-GHMZBOCLSA-N 2 2 279.406 -0.827 20 0 CBADLP CCO[C@@H]1C[N@@H+](CCS(=O)(=O)N(C)C)C[C@H]1C[NH3+] ZINC000405274554 420227247 /nfs/dbraw/zinc/22/72/47/420227247.db2.gz WXTRIWNDTISNOT-GHMZBOCLSA-N 2 2 279.406 -0.827 20 0 CBADLP CCO[C@@H]1C[N@@H+]([C@H](C)C(=O)NCCCOC)C[C@H]1C[NH3+] ZINC000405475880 420228725 /nfs/dbraw/zinc/22/87/25/420228725.db2.gz WCBOUJXGQRQUCP-JHJVBQTASA-N 2 2 287.404 -0.177 20 0 CBADLP CCO[C@@H]1C[N@H+]([C@H](C)C(=O)NCCCOC)C[C@H]1C[NH3+] ZINC000405475880 420228731 /nfs/dbraw/zinc/22/87/31/420228731.db2.gz WCBOUJXGQRQUCP-JHJVBQTASA-N 2 2 287.404 -0.177 20 0 CBADLP C[C@H](O)CNc1cc(NCC[N@@H+]2CCOC[C@@H]2C)nc[nH+]1 ZINC000413126968 420235816 /nfs/dbraw/zinc/23/58/16/420235816.db2.gz UYLFVTFRPKZENW-RYUDHWBXSA-N 2 2 295.387 0.402 20 0 CBADLP C[C@H](O)CNc1cc(NCC[N@H+]2CCOC[C@@H]2C)nc[nH+]1 ZINC000413126968 420235819 /nfs/dbraw/zinc/23/58/19/420235819.db2.gz UYLFVTFRPKZENW-RYUDHWBXSA-N 2 2 295.387 0.402 20 0 CBADLP O=C(CCCn1cc[nH+]c1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655296809 420240030 /nfs/dbraw/zinc/24/00/30/420240030.db2.gz AGSOSWYBJIPEJM-QWHCGFSZSA-N 2 2 278.356 -0.059 20 0 CBADLP O=C(CCCn1cc[nH+]c1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655296809 420240034 /nfs/dbraw/zinc/24/00/34/420240034.db2.gz AGSOSWYBJIPEJM-QWHCGFSZSA-N 2 2 278.356 -0.059 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000419878378 420245011 /nfs/dbraw/zinc/24/50/11/420245011.db2.gz QLYQQTDMPOQADV-VXGBXAGGSA-N 2 2 282.388 -0.463 20 0 CBADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655410320 420246992 /nfs/dbraw/zinc/24/69/92/420246992.db2.gz ZQMAMKVKIWLLKR-KWCYVHTRSA-N 2 2 290.367 -0.277 20 0 CBADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655410320 420246993 /nfs/dbraw/zinc/24/69/93/420246993.db2.gz ZQMAMKVKIWLLKR-KWCYVHTRSA-N 2 2 290.367 -0.277 20 0 CBADLP CN1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)[C@H](C[NH3+])C1 ZINC000655419257 420247865 /nfs/dbraw/zinc/24/78/65/420247865.db2.gz PNKWKDWAMVCZCR-NWDGAFQWSA-N 2 2 277.372 -0.453 20 0 CBADLP CN1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)[C@H](C[NH3+])C1 ZINC000655419259 420248158 /nfs/dbraw/zinc/24/81/58/420248158.db2.gz PNKWKDWAMVCZCR-VXGBXAGGSA-N 2 2 277.372 -0.453 20 0 CBADLP CCCCNc1cc(NC[C@@H]2C[NH2+]CCN2C)nc(N)[nH+]1 ZINC000420279814 420252489 /nfs/dbraw/zinc/25/24/89/420252489.db2.gz TWODCNSSUJTDKT-NSHDSACASA-N 2 2 293.419 0.008 20 0 CBADLP C[C@H](CNC(=O)[C@H]1CC[NH2+]1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488374 420256083 /nfs/dbraw/zinc/25/60/83/420256083.db2.gz XTCGFRICDCVDOM-WISYIIOYSA-N 2 2 255.362 -0.038 20 0 CBADLP C[C@H](CNC(=O)[C@H]1CC[NH2+]1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488374 420256088 /nfs/dbraw/zinc/25/60/88/420256088.db2.gz XTCGFRICDCVDOM-WISYIIOYSA-N 2 2 255.362 -0.038 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000423503921 420257716 /nfs/dbraw/zinc/25/77/16/420257716.db2.gz NEXKMLLXNJWHCF-NEPJUHHUSA-N 2 2 284.404 -0.348 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000423503921 420257720 /nfs/dbraw/zinc/25/77/20/420257720.db2.gz NEXKMLLXNJWHCF-NEPJUHHUSA-N 2 2 284.404 -0.348 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000423601364 420257862 /nfs/dbraw/zinc/25/78/62/420257862.db2.gz GOCMRQSTSJIWFQ-RYUDHWBXSA-N 2 2 284.404 -0.301 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000423601364 420257865 /nfs/dbraw/zinc/25/78/65/420257865.db2.gz GOCMRQSTSJIWFQ-RYUDHWBXSA-N 2 2 284.404 -0.301 20 0 CBADLP CC[C@H]([NH3+])C(=O)N1CC[N@H+](CCC(=O)OC)[C@@H](C)C1 ZINC000423892113 420259702 /nfs/dbraw/zinc/25/97/02/420259702.db2.gz JZBWLKXKIIIQTO-QWRGUYRKSA-N 2 2 271.361 -0.181 20 0 CBADLP CC[C@H]([NH3+])C(=O)N1CC[N@@H+](CCC(=O)OC)[C@@H](C)C1 ZINC000423892113 420259706 /nfs/dbraw/zinc/25/97/06/420259706.db2.gz JZBWLKXKIIIQTO-QWRGUYRKSA-N 2 2 271.361 -0.181 20 0 CBADLP CC(C)([NH3+])C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000430711024 420271670 /nfs/dbraw/zinc/27/16/70/420271670.db2.gz CUPQJAORUZJMQT-UHFFFAOYSA-N 2 2 281.360 -0.109 20 0 CBADLP [NH3+]CCCC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000430724003 420272861 /nfs/dbraw/zinc/27/28/61/420272861.db2.gz UNWVOYOTTJWNMV-UHFFFAOYSA-N 2 2 281.360 -0.107 20 0 CBADLP CCC[C@@H]([NH3+])C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000430730664 420273168 /nfs/dbraw/zinc/27/31/68/420273168.db2.gz JPGABAWPSMSGSH-GFCCVEGCSA-N 2 2 295.387 0.281 20 0 CBADLP CN1CC[N@H+](C)[C@@H](CNC(=O)N[C@H](C[NH3+])C(F)(F)F)C1 ZINC000655917325 420275959 /nfs/dbraw/zinc/27/59/59/420275959.db2.gz PMEUKCUXQKIKPM-DTWKUNHWSA-N 2 2 297.325 -0.579 20 0 CBADLP CN1CC[N@@H+](C)[C@@H](CNC(=O)N[C@H](C[NH3+])C(F)(F)F)C1 ZINC000655917325 420275961 /nfs/dbraw/zinc/27/59/61/420275961.db2.gz PMEUKCUXQKIKPM-DTWKUNHWSA-N 2 2 297.325 -0.579 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655916457 420276928 /nfs/dbraw/zinc/27/69/28/420276928.db2.gz YPGZEBRPHYUMFY-RKDXNWHRSA-N 2 2 298.309 -0.104 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655916457 420276931 /nfs/dbraw/zinc/27/69/31/420276931.db2.gz YPGZEBRPHYUMFY-RKDXNWHRSA-N 2 2 298.309 -0.104 20 0 CBADLP CC(C)[C@H](C(=O)N1CC[NH+](CCO)CC1)[C@H](C)[NH3+] ZINC000399438989 420220367 /nfs/dbraw/zinc/22/03/67/420220367.db2.gz NSQGDGRCIADDQV-RYUDHWBXSA-N 2 2 257.378 -0.258 20 0 CBADLP O=S1(=O)CC[C@@H]([NH2+]Cc2cn(-c3cc[nH+]cc3)nn2)C1 ZINC000656440973 420310150 /nfs/dbraw/zinc/31/01/50/420310150.db2.gz RGWKATZKXLUVOZ-SNVBAGLBSA-N 2 2 293.352 -0.061 20 0 CBADLP OCc1cc(-n2cc(CN3CC[NH2+]CC3)nn2)cc[nH+]1 ZINC000656458643 420311756 /nfs/dbraw/zinc/31/17/56/420311756.db2.gz CPRLSJIKURLYFW-UHFFFAOYSA-N 2 2 274.328 -0.440 20 0 CBADLP [NH3+]CC12CC(C1)CN2C(=O)NCC[NH+]1CCOCC1 ZINC000656475730 420312052 /nfs/dbraw/zinc/31/20/52/420312052.db2.gz JIUJMDMOPOZXQH-UHFFFAOYSA-N 2 2 268.361 -0.549 20 0 CBADLP C[NH+]1CCN(Cc2cn(-c3cc[nH+]c(CO)c3)nn2)CC1 ZINC000656458731 420312261 /nfs/dbraw/zinc/31/22/61/420312261.db2.gz FWAGJOSJPLCBSS-UHFFFAOYSA-N 2 2 288.355 -0.098 20 0 CBADLP C[NH+](C)C[C@@](C)(O)CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493104412 420315075 /nfs/dbraw/zinc/31/50/75/420315075.db2.gz JQVFVFXHLKGRNF-ITKZLYELSA-N 2 2 252.318 -0.148 20 0 CBADLP CO[C@@H]1CS(=O)(=O)[C@H]2C[N@H+](C[C@H]3CCC[NH2+]C3)C[C@H]21 ZINC000656791067 420321253 /nfs/dbraw/zinc/32/12/53/420321253.db2.gz DBGACGOIRUSLPO-RVMXOQNASA-N 2 2 288.413 -0.270 20 0 CBADLP CO[C@@H]1CS(=O)(=O)[C@H]2C[N@@H+](C[C@H]3CCC[NH2+]C3)C[C@H]21 ZINC000656791067 420321256 /nfs/dbraw/zinc/32/12/56/420321256.db2.gz DBGACGOIRUSLPO-RVMXOQNASA-N 2 2 288.413 -0.270 20 0 CBADLP C[C@@H](CNC[C@H](O)C[NH+]1CCN(C)CC1)[NH+](C)C ZINC000516761405 420363598 /nfs/dbraw/zinc/36/35/98/420363598.db2.gz DAWMPJFTTQBEHZ-STQMWFEESA-N 2 2 258.410 -0.866 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N1CCOCC1 ZINC000657090823 420341689 /nfs/dbraw/zinc/34/16/89/420341689.db2.gz HXSPVGOZOJDKOM-UHFFFAOYSA-N 2 2 272.393 -0.088 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N1CCOCC1 ZINC000657090823 420341693 /nfs/dbraw/zinc/34/16/93/420341693.db2.gz HXSPVGOZOJDKOM-UHFFFAOYSA-N 2 2 272.393 -0.088 20 0 CBADLP CN(C1CC1)S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000657091299 420342298 /nfs/dbraw/zinc/34/22/98/420342298.db2.gz LZDZVGXIDQEBBP-UHFFFAOYSA-N 2 2 292.449 -0.202 20 0 CBADLP CN(C1CC1)S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000657091299 420342304 /nfs/dbraw/zinc/34/23/04/420342304.db2.gz LZDZVGXIDQEBBP-UHFFFAOYSA-N 2 2 292.449 -0.202 20 0 CBADLP C[C@H](C(=O)N[C@H](CO)C[NH+](C)C)[NH+]1CCSCC1 ZINC000673519861 544877318 /nfs/dbraw/zinc/87/73/18/544877318.db2.gz AQHNGHAEWCOAAU-MNOVXSKESA-N 2 2 275.418 -0.538 20 0 CBADLP CC[C@H]1C[C@@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)CO1 ZINC000657334051 420352322 /nfs/dbraw/zinc/35/23/22/420352322.db2.gz KAFWESMERRWVNB-NEPJUHHUSA-N 2 2 255.362 -0.083 20 0 CBADLP CN(C)c1[nH+]cc(C[NH2+]C[C@]2(OCCO)CCOC2)n1C ZINC000657599238 420357562 /nfs/dbraw/zinc/35/75/62/420357562.db2.gz ZELNVIHHHGLYTF-CQSZACIVSA-N 2 2 298.387 -0.256 20 0 CBADLP Nc1ccc(NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)c[nH+]1 ZINC000516065244 420362291 /nfs/dbraw/zinc/36/22/91/420362291.db2.gz FUDMWBDJHNYSAU-JTQLQIEISA-N 2 2 277.328 -0.139 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000656058990 420294526 /nfs/dbraw/zinc/29/45/26/420294526.db2.gz MMILGRSNRTUTCD-BETUJISGSA-N 2 2 296.415 -0.393 20 0 CBADLP COc1c(N)[nH+]cnc1N1CC[NH+](C(C)(C)CO)CC1 ZINC000656126440 420300898 /nfs/dbraw/zinc/30/08/98/420300898.db2.gz IRLUMDNOHDLQPA-UHFFFAOYSA-N 2 2 281.360 -0.040 20 0 CBADLP CC[N@H+](C[C@@H](O)C[NH+](C)CCOC)[C@@H]1CCNC1=O ZINC000517038050 420370751 /nfs/dbraw/zinc/37/07/51/420370751.db2.gz HTDMJVSDVJWNNN-NWDGAFQWSA-N 2 2 273.377 -0.864 20 0 CBADLP CC[N@@H+](C[C@@H](O)C[NH+](C)CCOC)[C@@H]1CCNC1=O ZINC000517038050 420370756 /nfs/dbraw/zinc/37/07/56/420370756.db2.gz HTDMJVSDVJWNNN-NWDGAFQWSA-N 2 2 273.377 -0.864 20 0 CBADLP CC[NH+](C[C@@H](O)C[N@H+](C)CCOC)[C@@H]1CCNC1=O ZINC000517038050 420370759 /nfs/dbraw/zinc/37/07/59/420370759.db2.gz HTDMJVSDVJWNNN-NWDGAFQWSA-N 2 2 273.377 -0.864 20 0 CBADLP CC[NH+](C[C@@H](O)C[N@@H+](C)CCOC)[C@@H]1CCNC1=O ZINC000517038050 420370762 /nfs/dbraw/zinc/37/07/62/420370762.db2.gz HTDMJVSDVJWNNN-NWDGAFQWSA-N 2 2 273.377 -0.864 20 0 CBADLP C[C@@H](C[NH2+]C[C@H](O)Cn1cccn1)C[NH+]1CCOCC1 ZINC000517359669 420375679 /nfs/dbraw/zinc/37/56/79/420375679.db2.gz LIHAFEBYORZLRM-KBPBESRZSA-N 2 2 282.388 -0.198 20 0 CBADLP O=C(C[NH2+]C1CC1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000521432796 420392820 /nfs/dbraw/zinc/39/28/20/420392820.db2.gz HEQVEZASEUVEEZ-UHFFFAOYSA-N 2 2 293.371 -0.094 20 0 CBADLP C[C@@H](C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)[NH+](C)C ZINC000674287623 544901316 /nfs/dbraw/zinc/90/13/16/544901316.db2.gz KJINYJBOKRPXEB-XQQFMLRXSA-N 2 2 269.389 -0.006 20 0 CBADLP C[C@H](CC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)n1cc[nH+]c1 ZINC000516878263 420365015 /nfs/dbraw/zinc/36/50/15/420365015.db2.gz FBZSHFQHHQKICM-IJLUTSLNSA-N 2 2 291.355 -0.395 20 0 CBADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@H+](CC)CCO2)C1 ZINC000673673108 544885767 /nfs/dbraw/zinc/88/57/67/544885767.db2.gz FUPALVYEESTQCN-CHWSQXEVSA-N 2 2 285.388 -0.456 20 0 CBADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000673673108 544885771 /nfs/dbraw/zinc/88/57/71/544885771.db2.gz FUPALVYEESTQCN-CHWSQXEVSA-N 2 2 285.388 -0.456 20 0 CBADLP CC[NH+]1CCO[C@H](CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC000673673108 544885772 /nfs/dbraw/zinc/88/57/72/544885772.db2.gz FUPALVYEESTQCN-CHWSQXEVSA-N 2 2 285.388 -0.456 20 0 CBADLP CC[NH+]1CCO[C@H](CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC000673673108 544885773 /nfs/dbraw/zinc/88/57/73/544885773.db2.gz FUPALVYEESTQCN-CHWSQXEVSA-N 2 2 285.388 -0.456 20 0 CBADLP CC(C)OC[C@H]([NH3+])C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000659263045 420404586 /nfs/dbraw/zinc/40/45/86/420404586.db2.gz SBVGWXHSTLPOPZ-LBPRGKRZSA-N 2 2 287.404 -0.034 20 0 CBADLP C[C@H](NC(=O)Cn1cc[nH+]c1)[C@@H]1C[N@H+](C)CCO1 ZINC000676402068 544950100 /nfs/dbraw/zinc/95/01/00/544950100.db2.gz IZGVKXDRYMQFFA-QWRGUYRKSA-N 2 2 252.318 -0.282 20 0 CBADLP C[C@H](NC(=O)Cn1cc[nH+]c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676402068 544950103 /nfs/dbraw/zinc/95/01/03/544950103.db2.gz IZGVKXDRYMQFFA-QWRGUYRKSA-N 2 2 252.318 -0.282 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@H](C)[C@H]2C[NH+](C)CCO2)C1 ZINC000676401687 544950267 /nfs/dbraw/zinc/95/02/67/544950267.db2.gz BYSLNEOMGHATAH-UPJWGTAASA-N 2 2 285.388 -0.458 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)N[C@H](C)[C@H]2C[NH+](C)CCO2)C1 ZINC000676401687 544950272 /nfs/dbraw/zinc/95/02/72/544950272.db2.gz BYSLNEOMGHATAH-UPJWGTAASA-N 2 2 285.388 -0.458 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)C1 ZINC000676401687 544950278 /nfs/dbraw/zinc/95/02/78/544950278.db2.gz BYSLNEOMGHATAH-UPJWGTAASA-N 2 2 285.388 -0.458 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000676401687 544950282 /nfs/dbraw/zinc/95/02/82/544950282.db2.gz BYSLNEOMGHATAH-UPJWGTAASA-N 2 2 285.388 -0.458 20 0 CBADLP O=C(Cn1cc[nH+]c1)N(CCO)CC[NH+]1CCOCC1 ZINC000676404882 544951743 /nfs/dbraw/zinc/95/17/43/544951743.db2.gz KFBZXLIECUVNLH-UHFFFAOYSA-N 2 2 282.344 -0.964 20 0 CBADLP CC[NH+](CC)CC(=O)N(C)CC(=O)N1CC[NH+](C)CC1 ZINC000674707068 544912084 /nfs/dbraw/zinc/91/20/84/544912084.db2.gz UFFJOKKXBHFNBJ-UHFFFAOYSA-N 2 2 284.404 -0.439 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCCN(C)S(C)(=O)=O ZINC000674878361 544920160 /nfs/dbraw/zinc/92/01/60/544920160.db2.gz HBGVEPIFNUWLPY-GHMZBOCLSA-N 2 2 263.407 -0.192 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCN(C)S(C)(=O)=O ZINC000674878361 544920164 /nfs/dbraw/zinc/92/01/64/544920164.db2.gz HBGVEPIFNUWLPY-GHMZBOCLSA-N 2 2 263.407 -0.192 20 0 CBADLP C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)[C@H]1C[NH+](C)CCO1 ZINC000676289319 544945302 /nfs/dbraw/zinc/94/53/02/544945302.db2.gz DZFVTZXXIXITPT-QJPTWQEYSA-N 2 2 255.362 -0.084 20 0 CBADLP C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)[C@H]1C[NH+](C)CCO1 ZINC000676289319 544945306 /nfs/dbraw/zinc/94/53/06/544945306.db2.gz DZFVTZXXIXITPT-QJPTWQEYSA-N 2 2 255.362 -0.084 20 0 CBADLP C[C@H](NC(=O)[C@H]1CCC[NH+]1C)[C@H]1C[N@H+](C)CCO1 ZINC000676289319 544945309 /nfs/dbraw/zinc/94/53/09/544945309.db2.gz DZFVTZXXIXITPT-QJPTWQEYSA-N 2 2 255.362 -0.084 20 0 CBADLP C[C@H](NC(=O)[C@H]1CCC[NH+]1C)[C@H]1C[N@@H+](C)CCO1 ZINC000676289319 544945310 /nfs/dbraw/zinc/94/53/10/544945310.db2.gz DZFVTZXXIXITPT-QJPTWQEYSA-N 2 2 255.362 -0.084 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659450643 420420023 /nfs/dbraw/zinc/42/00/23/420420023.db2.gz CUMITFVQYKTEPN-IJLUTSLNSA-N 2 2 288.367 -0.212 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659450643 420420025 /nfs/dbraw/zinc/42/00/25/420420025.db2.gz CUMITFVQYKTEPN-IJLUTSLNSA-N 2 2 288.367 -0.212 20 0 CBADLP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000676623843 544956586 /nfs/dbraw/zinc/95/65/86/544956586.db2.gz NWBAGJLOACRBOQ-QWHCGFSZSA-N 2 2 266.389 -0.413 20 0 CBADLP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000676623843 544956589 /nfs/dbraw/zinc/95/65/89/544956589.db2.gz NWBAGJLOACRBOQ-QWHCGFSZSA-N 2 2 266.389 -0.413 20 0 CBADLP CN1CC[N@H+](C)[C@H](CNC(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659453277 420420991 /nfs/dbraw/zinc/42/09/91/420420991.db2.gz JCANZXJSRCEANO-MBHSVXNSSA-N 2 2 281.404 -0.717 20 0 CBADLP CN1CC[N@@H+](C)[C@H](CNC(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659453277 420420996 /nfs/dbraw/zinc/42/09/96/420420996.db2.gz JCANZXJSRCEANO-MBHSVXNSSA-N 2 2 281.404 -0.717 20 0 CBADLP C[C@@H](NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)[C@H]1C[N@H+](C)CCO1 ZINC000659471145 420421649 /nfs/dbraw/zinc/42/16/49/420421649.db2.gz OKOYMLXQZNIPBN-DDHJBXDOSA-N 2 2 288.367 -0.214 20 0 CBADLP C[C@@H](NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)[C@H]1C[N@@H+](C)CCO1 ZINC000659471145 420421652 /nfs/dbraw/zinc/42/16/52/420421652.db2.gz OKOYMLXQZNIPBN-DDHJBXDOSA-N 2 2 288.367 -0.214 20 0 CBADLP O=C(NCC1([NH+]2CCOCC2)CC1)NCC12CC(C1)C[NH2+]2 ZINC000659486324 420423105 /nfs/dbraw/zinc/42/31/05/420423105.db2.gz DXJSRDAGVDOGIP-UHFFFAOYSA-N 2 2 294.399 -0.098 20 0 CBADLP CC[N@@H+]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C[C@H]1C ZINC000677171614 544968924 /nfs/dbraw/zinc/96/89/24/544968924.db2.gz BRCNRPLZZCHZAQ-VXGBXAGGSA-N 2 2 255.362 -0.130 20 0 CBADLP CC[N@H+]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C[C@H]1C ZINC000677171614 544968926 /nfs/dbraw/zinc/96/89/26/544968926.db2.gz BRCNRPLZZCHZAQ-VXGBXAGGSA-N 2 2 255.362 -0.130 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC000677171614 544968930 /nfs/dbraw/zinc/96/89/30/544968930.db2.gz BRCNRPLZZCHZAQ-VXGBXAGGSA-N 2 2 255.362 -0.130 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC000677171614 544968933 /nfs/dbraw/zinc/96/89/33/544968933.db2.gz BRCNRPLZZCHZAQ-VXGBXAGGSA-N 2 2 255.362 -0.130 20 0 CBADLP O=C(C[C@@H]1COCC[NH2+]1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659358157 420413976 /nfs/dbraw/zinc/41/39/76/420413976.db2.gz PWEYFNQUOHEWRK-OLZOCXBDSA-N 2 2 283.372 -0.702 20 0 CBADLP CC(=O)NC1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000677478365 544976218 /nfs/dbraw/zinc/97/62/18/544976218.db2.gz WCJBZHRNJCIFEG-UHFFFAOYSA-N 2 2 282.388 -0.639 20 0 CBADLP O=C(C[C@@H]1COCC[NH2+]1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659358155 420414586 /nfs/dbraw/zinc/41/45/86/420414586.db2.gz PWEYFNQUOHEWRK-CHWSQXEVSA-N 2 2 283.372 -0.702 20 0 CBADLP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659358670 420415957 /nfs/dbraw/zinc/41/59/57/420415957.db2.gz SOTJOXQCVKNWHK-SDDRHHMPSA-N 2 2 255.362 -0.097 20 0 CBADLP O=C(NCCNc1cccc[nH+]1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000677855998 544987219 /nfs/dbraw/zinc/98/72/19/544987219.db2.gz NVSCRRPQZZDOHV-ZDUSSCGKSA-N 2 2 289.383 0.000 20 0 CBADLP O=C(NCCNc1cccc[nH+]1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000677855998 544987223 /nfs/dbraw/zinc/98/72/23/544987223.db2.gz NVSCRRPQZZDOHV-ZDUSSCGKSA-N 2 2 289.383 0.000 20 0 CBADLP Nc1ccc(NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)c[nH+]1 ZINC000563141163 420435540 /nfs/dbraw/zinc/43/55/40/420435540.db2.gz CKEQNIPTVYMNFM-SECBINFHSA-N 2 2 263.301 -0.530 20 0 CBADLP O=C(NCC12CC(C1)C[NH2+]2)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659609960 420437213 /nfs/dbraw/zinc/43/72/13/420437213.db2.gz DYYGUKONVPRYEH-OWYJLGKBSA-N 2 2 294.399 -0.146 20 0 CBADLP CNC(=O)CC[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000678081663 545012964 /nfs/dbraw/zinc/01/29/64/545012964.db2.gz XQUSUFKMSVYRQH-GFCCVEGCSA-N 2 2 282.388 -0.463 20 0 CBADLP CNC(=O)CC[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000678081663 545012965 /nfs/dbraw/zinc/01/29/65/545012965.db2.gz XQUSUFKMSVYRQH-GFCCVEGCSA-N 2 2 282.388 -0.463 20 0 CBADLP CC[NH2+]CCNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659515386 420426697 /nfs/dbraw/zinc/42/66/97/420426697.db2.gz SYWGVFPHVOMIKJ-LBPRGKRZSA-N 2 2 270.377 -0.288 20 0 CBADLP CC[NH2+]CCNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659515384 420426762 /nfs/dbraw/zinc/42/67/62/420426762.db2.gz SYWGVFPHVOMIKJ-GFCCVEGCSA-N 2 2 270.377 -0.288 20 0 CBADLP NC(=O)C1([NH+]2CCN(C(=O)CC[NH3+])CC2)CCCC1 ZINC000376790287 230264432 /nfs/dbraw/zinc/26/44/32/230264432.db2.gz YOKGVGWSLVCQSU-UHFFFAOYSA-N 2 2 268.361 -0.723 20 0 CBADLP CCS(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000679369479 545027252 /nfs/dbraw/zinc/02/72/52/545027252.db2.gz WMDBNCJBDREMOI-UHFFFAOYSA-N 2 2 251.396 -0.191 20 0 CBADLP CCS(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000679369479 545027254 /nfs/dbraw/zinc/02/72/54/545027254.db2.gz WMDBNCJBDREMOI-UHFFFAOYSA-N 2 2 251.396 -0.191 20 0 CBADLP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659546480 420431545 /nfs/dbraw/zinc/43/15/45/420431545.db2.gz CIDFGAZHSFMELW-WUHRBBMRSA-N 2 2 280.372 -0.680 20 0 CBADLP CC[C@H]([NH3+])CNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659552274 420432257 /nfs/dbraw/zinc/43/22/57/420432257.db2.gz WXNMYJFNIKJQNB-NWDGAFQWSA-N 2 2 270.377 -0.160 20 0 CBADLP COCC[N@@H+]1CC[C@H]([NH2+]CCCN(C)S(C)(=O)=O)C1 ZINC000680337922 545037327 /nfs/dbraw/zinc/03/73/27/545037327.db2.gz YJRWMQLGSGMOKX-LBPRGKRZSA-N 2 2 293.433 -0.422 20 0 CBADLP COCC[N@H+]1CC[C@H]([NH2+]CCCN(C)S(C)(=O)=O)C1 ZINC000680337922 545037328 /nfs/dbraw/zinc/03/73/28/545037328.db2.gz YJRWMQLGSGMOKX-LBPRGKRZSA-N 2 2 293.433 -0.422 20 0 CBADLP C[C@H]([NH3+])[C@H](C)NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659552495 420433542 /nfs/dbraw/zinc/43/35/42/420433542.db2.gz ZGLLFXZLXLSXQG-SDDRHHMPSA-N 2 2 270.377 -0.162 20 0 CBADLP COCC[C@@]1([NH2+]CC(=O)N2CC[NH+](C)CC2)CCOC1 ZINC000683679241 545066956 /nfs/dbraw/zinc/06/69/56/545066956.db2.gz LTFAKWUZQJJDCQ-CQSZACIVSA-N 2 2 285.388 -0.454 20 0 CBADLP C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)C2 ZINC000683908956 545067929 /nfs/dbraw/zinc/06/79/29/545067929.db2.gz LDHJHDLYNBIFNP-NSHDSACASA-N 2 2 253.346 -0.519 20 0 CBADLP C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C2 ZINC000683908956 545067930 /nfs/dbraw/zinc/06/79/30/545067930.db2.gz LDHJHDLYNBIFNP-NSHDSACASA-N 2 2 253.346 -0.519 20 0 CBADLP CCN1OC[C@@H]([N@H+](C)CCCN2CC[NH+](C)CC2)C1=O ZINC000683900456 545068133 /nfs/dbraw/zinc/06/81/33/545068133.db2.gz WPLZNMANURTRTD-CYBMUJFWSA-N 2 2 284.404 -0.282 20 0 CBADLP CCN1OC[C@@H]([N@@H+](C)CCCN2CC[NH+](C)CC2)C1=O ZINC000683900456 545068134 /nfs/dbraw/zinc/06/81/34/545068134.db2.gz WPLZNMANURTRTD-CYBMUJFWSA-N 2 2 284.404 -0.282 20 0 CBADLP CN(C)[C@@H](C(=O)NC[C@](C)(O)C[NH+](C)C)c1c[nH+]cn1C ZINC000684834576 545077041 /nfs/dbraw/zinc/07/70/41/545077041.db2.gz BAUOFWZQYNXLCL-OCCSQVGLSA-N 2 2 297.403 -0.548 20 0 CBADLP C[C@H](C(=O)N1CCC2(C[NH+](C)C2)C1)N1CC[NH+](C)CC1 ZINC000684172969 545072124 /nfs/dbraw/zinc/07/21/24/545072124.db2.gz RUFWMDLMBHMWQU-CYBMUJFWSA-N 2 2 280.416 -0.214 20 0 CBADLP C[C@H](C(=O)N1CCC2(C[NH+](C)C2)C1)[NH+]1CCN(C)CC1 ZINC000684172969 545072125 /nfs/dbraw/zinc/07/21/25/545072125.db2.gz RUFWMDLMBHMWQU-CYBMUJFWSA-N 2 2 280.416 -0.214 20 0 CBADLP CN(C)c1c[nH+]ccc1NC(=O)CN1CC[NH+](C)CC1 ZINC000681362791 545047524 /nfs/dbraw/zinc/04/75/24/545047524.db2.gz LETBHPXZFKMTAG-UHFFFAOYSA-N 2 2 277.372 -0.245 20 0 CBADLP C[NH+]1CCN(CC(=O)NCC[N@@H+]2CCCOCC2)CC1 ZINC000682171761 545054566 /nfs/dbraw/zinc/05/45/66/545054566.db2.gz UDRBRGUWXCCVMJ-UHFFFAOYSA-N 2 2 284.404 -0.928 20 0 CBADLP C[NH+]1CCN(CC(=O)NCC[N@H+]2CCCOCC2)CC1 ZINC000682171761 545054567 /nfs/dbraw/zinc/05/45/67/545054567.db2.gz UDRBRGUWXCCVMJ-UHFFFAOYSA-N 2 2 284.404 -0.928 20 0 CBADLP COC[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)C1CCOCC1 ZINC000682133068 545054611 /nfs/dbraw/zinc/05/46/11/545054611.db2.gz RYJUMRVWFSJTHP-CQSZACIVSA-N 2 2 299.415 -0.208 20 0 CBADLP C[C@@H]1C[NH+](CCCNC(=O)[C@H]2[NH2+]CCO[C@@H]2C)C[C@@H](C)O1 ZINC000494309863 230352759 /nfs/dbraw/zinc/35/27/59/230352759.db2.gz PWKYFMNUDUNDAR-SYQHCUMBSA-N 2 2 299.415 -0.021 20 0 CBADLP C[NH+](C)CC(=O)NC[C@@H]1CCC[C@@H]1NC(=O)C[NH+](C)C ZINC000682360829 545055557 /nfs/dbraw/zinc/05/55/57/545055557.db2.gz VGQHYDLJIOIIKM-RYUDHWBXSA-N 2 2 284.404 -0.489 20 0 CBADLP C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000682532510 545057859 /nfs/dbraw/zinc/05/78/59/545057859.db2.gz ZEOCWAGWDVZAJD-BXUZGUMPSA-N 2 2 278.356 -0.372 20 0 CBADLP C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000682532510 545057860 /nfs/dbraw/zinc/05/78/60/545057860.db2.gz ZEOCWAGWDVZAJD-BXUZGUMPSA-N 2 2 278.356 -0.372 20 0 CBADLP C[NH2+]C[C@H](C)NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659637664 420442119 /nfs/dbraw/zinc/44/21/19/420442119.db2.gz VKCQMFPZZXDEKA-NWDGAFQWSA-N 2 2 270.377 -0.290 20 0 CBADLP COc1c(N)[nH+]cnc1NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000566478604 420445847 /nfs/dbraw/zinc/44/58/47/420445847.db2.gz MTZLTRLPZZDYBH-LLVKDONJSA-N 2 2 295.387 0.572 20 0 CBADLP COc1c(N)nc[nH+]c1NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000566478604 420445850 /nfs/dbraw/zinc/44/58/50/420445850.db2.gz MTZLTRLPZZDYBH-LLVKDONJSA-N 2 2 295.387 0.572 20 0 CBADLP [NH3+]C1(CNC(=O)C(=O)NCCn2cc[nH+]c2)CCCC1 ZINC000659676274 420446932 /nfs/dbraw/zinc/44/69/32/420446932.db2.gz CPPRSUKQGRMSKY-UHFFFAOYSA-N 2 2 279.344 -0.613 20 0 CBADLP C[NH2+]C[C@H](C)NC(=O)C(=O)NCc1[nH+]ccn1CC(C)C ZINC000659697990 420451991 /nfs/dbraw/zinc/45/19/91/420451991.db2.gz QGFLBURFWHLCAA-NSHDSACASA-N 2 2 295.387 -0.121 20 0 CBADLP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000659703446 420452686 /nfs/dbraw/zinc/45/26/86/420452686.db2.gz BYQFXKQBIPTDIT-VHSXEESVSA-N 2 2 267.333 -0.888 20 0 CBADLP Nc1ncc(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)s1 ZINC000576280124 420462334 /nfs/dbraw/zinc/46/23/34/420462334.db2.gz SZJIYWGNVWWOML-JTQLQIEISA-N 2 2 295.412 0.122 20 0 CBADLP Nc1ncc(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)s1 ZINC000576280124 420462337 /nfs/dbraw/zinc/46/23/37/420462337.db2.gz SZJIYWGNVWWOML-JTQLQIEISA-N 2 2 295.412 0.122 20 0 CBADLP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000659741778 420465038 /nfs/dbraw/zinc/46/50/38/420465038.db2.gz NTPANKAFBDNGDP-CYBMUJFWSA-N 2 2 296.415 -0.217 20 0 CBADLP Cn1c[nH+]cc1CNC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000582425368 420472401 /nfs/dbraw/zinc/47/24/01/420472401.db2.gz VZFWKFLMAUAEIN-UHFFFAOYSA-N 2 2 291.359 0.500 20 0 CBADLP OC1(C[NH+]2CCOCC2)CC[NH+](CCc2cn[nH]n2)CC1 ZINC000660165015 420486346 /nfs/dbraw/zinc/48/63/46/420486346.db2.gz NVCWNJSDMIHOTI-UHFFFAOYSA-N 2 2 295.387 -0.494 20 0 CBADLP OC1(C[NH+]2CCOCC2)CC[NH+](CCc2c[nH]nn2)CC1 ZINC000660165015 420486347 /nfs/dbraw/zinc/48/63/47/420486347.db2.gz NVCWNJSDMIHOTI-UHFFFAOYSA-N 2 2 295.387 -0.494 20 0 CBADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](CO)[C@@H](O)C1 ZINC000660395541 420489934 /nfs/dbraw/zinc/48/99/34/420489934.db2.gz KFMSBKOFOSCWDZ-AGIUHOORSA-N 2 2 260.378 -0.637 20 0 CBADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](CO)[C@@H](O)C1 ZINC000660395541 420489936 /nfs/dbraw/zinc/48/99/36/420489936.db2.gz KFMSBKOFOSCWDZ-AGIUHOORSA-N 2 2 260.378 -0.637 20 0 CBADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000660395541 420489937 /nfs/dbraw/zinc/48/99/37/420489937.db2.gz KFMSBKOFOSCWDZ-AGIUHOORSA-N 2 2 260.378 -0.637 20 0 CBADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000660395541 420489938 /nfs/dbraw/zinc/48/99/38/420489938.db2.gz KFMSBKOFOSCWDZ-AGIUHOORSA-N 2 2 260.378 -0.637 20 0 CBADLP CNC(=O)C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660467724 420491334 /nfs/dbraw/zinc/49/13/34/420491334.db2.gz HRSAXIUOAQNOPH-LBPRGKRZSA-N 2 2 255.362 -0.081 20 0 CBADLP CNC(=O)C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660467724 420491335 /nfs/dbraw/zinc/49/13/35/420491335.db2.gz HRSAXIUOAQNOPH-LBPRGKRZSA-N 2 2 255.362 -0.081 20 0 CBADLP CNC(=O)C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660467723 420491994 /nfs/dbraw/zinc/49/19/94/420491994.db2.gz HRSAXIUOAQNOPH-GFCCVEGCSA-N 2 2 255.362 -0.081 20 0 CBADLP CNC(=O)C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660467723 420491996 /nfs/dbraw/zinc/49/19/96/420491996.db2.gz HRSAXIUOAQNOPH-GFCCVEGCSA-N 2 2 255.362 -0.081 20 0 CBADLP O=C(CC[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21)N1CC[NH2+]CC1 ZINC000521044867 260069114 /nfs/dbraw/zinc/06/91/14/260069114.db2.gz AMCMQDLLCRCULP-QWHCGFSZSA-N 3 2 266.389 -0.508 20 0 CBADLP O=C(CC[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21)N1CC[NH2+]CC1 ZINC000521044867 260069115 /nfs/dbraw/zinc/06/91/15/260069115.db2.gz AMCMQDLLCRCULP-QWHCGFSZSA-N 3 2 266.389 -0.508 20 0 CBADLP CC1(C)C[NH+](CC(=O)NC[C@]2(O)C[NH+]3CCC2CC3)C1 ZINC000521067072 260364725 /nfs/dbraw/zinc/36/47/25/260364725.db2.gz YDLQHJNLJKHSEV-HNNXBMFYSA-N 2 2 281.400 -0.099 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)c2ccnc(C[NH3+])c2)CCO1 ZINC000518379773 260392413 /nfs/dbraw/zinc/39/24/13/260392413.db2.gz MQWUREOXHFPEJZ-NSHDSACASA-N 2 2 278.356 -0.009 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)c2ccnc(C[NH3+])c2)CCO1 ZINC000518379773 260392415 /nfs/dbraw/zinc/39/24/15/260392415.db2.gz MQWUREOXHFPEJZ-NSHDSACASA-N 2 2 278.356 -0.009 20 0 CBADLP C[C@@H](C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1)S(C)(=O)=O ZINC000518965442 265252815 /nfs/dbraw/zinc/25/28/15/265252815.db2.gz NBEMRBWHHZGMEB-GXSJLCMTSA-N 2 2 264.391 -0.536 20 0 CBADLP C[C@@H](C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)S(C)(=O)=O ZINC000518965442 265252817 /nfs/dbraw/zinc/25/28/17/265252817.db2.gz NBEMRBWHHZGMEB-GXSJLCMTSA-N 2 2 264.391 -0.536 20 0 CBADLP C[C@@H](C[NH2+]C[C@H](O)C[N@H+](C)C1CC1)S(C)(=O)=O ZINC000518965447 265253511 /nfs/dbraw/zinc/25/35/11/265253511.db2.gz NBEMRBWHHZGMEB-ONGXEEELSA-N 2 2 264.391 -0.536 20 0 CBADLP C[C@@H](C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1)S(C)(=O)=O ZINC000518965447 265253514 /nfs/dbraw/zinc/25/35/14/265253514.db2.gz NBEMRBWHHZGMEB-ONGXEEELSA-N 2 2 264.391 -0.536 20 0 CBADLP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CN1CC[NH2+]CC1=O ZINC000518973444 265266209 /nfs/dbraw/zinc/26/62/09/265266209.db2.gz WTLIRGCTDUKZBB-RYUDHWBXSA-N 2 2 282.388 -0.783 20 0 CBADLP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)CN1CC[NH2+]CC1=O ZINC000518973444 265266211 /nfs/dbraw/zinc/26/62/11/265266211.db2.gz WTLIRGCTDUKZBB-RYUDHWBXSA-N 2 2 282.388 -0.783 20 0 CBADLP Cc1nc(N[C@@H](CO)C[NH+](C)C)nc(N(C)C)[nH+]1 ZINC000685262213 545080178 /nfs/dbraw/zinc/08/01/78/545080178.db2.gz OSQIBHKOZNZJJQ-SECBINFHSA-N 2 2 254.338 -0.420 20 0 CBADLP CC1(C[NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)COC1 ZINC000352765432 276168087 /nfs/dbraw/zinc/16/80/87/276168087.db2.gz KKOBQEJCABRYFX-LLVKDONJSA-N 2 2 255.362 -0.048 20 0 CBADLP CC1(C[NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)COC1 ZINC000352765432 276168089 /nfs/dbraw/zinc/16/80/89/276168089.db2.gz KKOBQEJCABRYFX-LLVKDONJSA-N 2 2 255.362 -0.048 20 0 CBADLP CC[N@H+](CCO)CC[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000494929764 276349421 /nfs/dbraw/zinc/34/94/21/276349421.db2.gz JSHMWTINMGFQKD-NSHDSACASA-N 2 2 257.378 -0.053 20 0 CBADLP CC[N@@H+](CCO)CC[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000494929764 276349422 /nfs/dbraw/zinc/34/94/22/276349422.db2.gz JSHMWTINMGFQKD-NSHDSACASA-N 2 2 257.378 -0.053 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC000332265980 276380082 /nfs/dbraw/zinc/38/00/82/276380082.db2.gz WANCYGBLDYVOSO-OLZOCXBDSA-N 2 2 294.399 -0.782 20 0 CBADLP C[C@@H]1CC(=O)NCC[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000685570004 545081830 /nfs/dbraw/zinc/08/18/30/545081830.db2.gz SISNAYVKLUDWCZ-ZYHUDNBSSA-N 2 2 255.362 -0.348 20 0 CBADLP C[C@@H]1CC(=O)NCC[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000685570004 545081831 /nfs/dbraw/zinc/08/18/31/545081831.db2.gz SISNAYVKLUDWCZ-ZYHUDNBSSA-N 2 2 255.362 -0.348 20 0 CBADLP C[C@@H]1CC(=O)NCC[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000685570004 545081832 /nfs/dbraw/zinc/08/18/32/545081832.db2.gz SISNAYVKLUDWCZ-ZYHUDNBSSA-N 2 2 255.362 -0.348 20 0 CBADLP C[C@@H]1CC(=O)NCC[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000685570004 545081833 /nfs/dbraw/zinc/08/18/33/545081833.db2.gz SISNAYVKLUDWCZ-ZYHUDNBSSA-N 2 2 255.362 -0.348 20 0 CBADLP C[NH2+]CCC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000262318653 277021308 /nfs/dbraw/zinc/02/13/08/277021308.db2.gz DXJJBUMLQKDQJD-CYBMUJFWSA-N 2 2 287.429 -0.080 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCCC[C@@H]2C(N)=O)CC1 ZINC000184833754 277090384 /nfs/dbraw/zinc/09/03/84/277090384.db2.gz ZHIAAQQPBJHDEU-NWDGAFQWSA-N 2 2 282.388 -0.606 20 0 CBADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000346298489 277125811 /nfs/dbraw/zinc/12/58/11/277125811.db2.gz WCHSGPBZKCLYAO-VXGBXAGGSA-N 2 2 296.415 -0.088 20 0 CBADLP CN1C(=O)C[C@@H]([N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)C1=O ZINC000368322570 277160837 /nfs/dbraw/zinc/16/08/37/277160837.db2.gz VANAOZNWSJMBMP-ZWNOBZJWSA-N 2 2 251.330 -0.229 20 0 CBADLP CN1C(=O)C[C@@H]([N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)C1=O ZINC000368322570 277160838 /nfs/dbraw/zinc/16/08/38/277160838.db2.gz VANAOZNWSJMBMP-ZWNOBZJWSA-N 2 2 251.330 -0.229 20 0 CBADLP CN1C(=O)C[C@@H]([NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)C1=O ZINC000368322570 277160840 /nfs/dbraw/zinc/16/08/40/277160840.db2.gz VANAOZNWSJMBMP-ZWNOBZJWSA-N 2 2 251.330 -0.229 20 0 CBADLP CN1C(=O)C[C@@H]([NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)C1=O ZINC000368322570 277160841 /nfs/dbraw/zinc/16/08/41/277160841.db2.gz VANAOZNWSJMBMP-ZWNOBZJWSA-N 2 2 251.330 -0.229 20 0 CBADLP CN1CC[C@H]([NH+]2CCC(N3CC[N@H+](C)CC3=O)CC2)C1=O ZINC000371643782 277163708 /nfs/dbraw/zinc/16/37/08/277163708.db2.gz ZIMMCNMBLYTAGG-ZDUSSCGKSA-N 2 2 294.399 -0.545 20 0 CBADLP CN1CC[C@H]([NH+]2CCC(N3CC[N@@H+](C)CC3=O)CC2)C1=O ZINC000371643782 277163711 /nfs/dbraw/zinc/16/37/11/277163711.db2.gz ZIMMCNMBLYTAGG-ZDUSSCGKSA-N 2 2 294.399 -0.545 20 0 CBADLP COC[C@@H]([NH3+])C(=O)N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000367644483 277246690 /nfs/dbraw/zinc/24/66/90/277246690.db2.gz SZOYGTTZJJLJTN-WDEREUQCSA-N 2 2 273.402 -0.390 20 0 CBADLP CO[C@@H](C[NH3+])CC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000232120338 277279054 /nfs/dbraw/zinc/27/90/54/277279054.db2.gz RIVLDYLWCRUMAN-NWDGAFQWSA-N 2 2 271.361 -0.717 20 0 CBADLP C[C@@H](C(=O)NC[C@@H]1C[NH+]2CCN1CC2)[NH+]1CCSCC1 ZINC000179185775 277552939 /nfs/dbraw/zinc/55/29/39/277552939.db2.gz AAFVMXAEPCVOPN-QWHCGFSZSA-N 2 2 298.456 -0.460 20 0 CBADLP CC(C)[C@H]([NH3+])C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000364996066 277903407 /nfs/dbraw/zinc/90/34/07/277903407.db2.gz RJDDUHPAVHPLLE-RYUDHWBXSA-N 2 2 255.362 -0.097 20 0 CBADLP CC(C)[C@](C)(CO)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000352919682 277983959 /nfs/dbraw/zinc/98/39/59/277983959.db2.gz XJEMDBXLJDTJAM-ZDUSSCGKSA-N 2 2 257.378 -0.243 20 0 CBADLP C[C@H](O)C[N@@H+]1CCN(C(=O)NCC(F)(F)C[NH3+])[C@@H](C)C1 ZINC000418522246 278291261 /nfs/dbraw/zinc/29/12/61/278291261.db2.gz IPNIZQDZBHYOGP-UWVGGRQHSA-N 2 2 294.346 -0.323 20 0 CBADLP C[C@H](O)C[N@H+]1CCN(C(=O)NCC(F)(F)C[NH3+])[C@@H](C)C1 ZINC000418522246 278291264 /nfs/dbraw/zinc/29/12/64/278291264.db2.gz IPNIZQDZBHYOGP-UWVGGRQHSA-N 2 2 294.346 -0.323 20 0 CBADLP CC(C)(C)NC(=O)C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261577912 278358239 /nfs/dbraw/zinc/35/82/39/278358239.db2.gz CYIBSRGSLLNTOM-GFCCVEGCSA-N 2 2 268.405 -0.119 20 0 CBADLP C[C@H]1OCC[C@@]1(C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000235594422 278519944 /nfs/dbraw/zinc/51/99/44/278519944.db2.gz BXGQVQZQWVATHR-DGCLKSJQSA-N 2 2 255.362 -0.083 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CCCN(S(C)(=O)=O)C1 ZINC000358014819 288092865 /nfs/dbraw/zinc/09/28/65/288092865.db2.gz CKKLYEMVQJSGIF-WOPDTQHZSA-N 2 2 275.418 -0.050 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CCCN(S(C)(=O)=O)C1 ZINC000358014819 288092869 /nfs/dbraw/zinc/09/28/69/288092869.db2.gz CKKLYEMVQJSGIF-WOPDTQHZSA-N 2 2 275.418 -0.050 20 0 CBADLP C[C@H](C(N)=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372370568 279240280 /nfs/dbraw/zinc/24/02/80/279240280.db2.gz RHZAOOBIHCVSNX-YPMHNXCESA-N 2 2 268.405 -0.040 20 0 CBADLP C[C@H](C(N)=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372370568 279240283 /nfs/dbraw/zinc/24/02/83/279240283.db2.gz RHZAOOBIHCVSNX-YPMHNXCESA-N 2 2 268.405 -0.040 20 0 CBADLP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCC[N@H+](CC(=O)NC)CC1 ZINC000376820715 280122992 /nfs/dbraw/zinc/12/29/92/280122992.db2.gz BNKOXMVRTOXPEE-YPMHNXCESA-N 2 2 284.404 -0.360 20 0 CBADLP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCC[N@@H+](CC(=O)NC)CC1 ZINC000376820715 280122995 /nfs/dbraw/zinc/12/29/95/280122995.db2.gz BNKOXMVRTOXPEE-YPMHNXCESA-N 2 2 284.404 -0.360 20 0 CBADLP CC(C)[C@H](CNC(=O)[C@H]1CC[NH2+]1)[NH+]1CCOCC1 ZINC000444169412 280252240 /nfs/dbraw/zinc/25/22/40/280252240.db2.gz RNYMXUOJHQDHLX-NEPJUHHUSA-N 2 2 255.362 -0.179 20 0 CBADLP CC1(C)C[N@H+](CCNC(=O)N[C@H]2CC[NH2+]C2)CCO1 ZINC000333804079 281239443 /nfs/dbraw/zinc/23/94/43/281239443.db2.gz ONJFSCJIUDQZNX-NSHDSACASA-N 2 2 270.377 -0.242 20 0 CBADLP CC1(C)C[N@@H+](CCNC(=O)N[C@H]2CC[NH2+]C2)CCO1 ZINC000333804079 281239446 /nfs/dbraw/zinc/23/94/46/281239446.db2.gz ONJFSCJIUDQZNX-NSHDSACASA-N 2 2 270.377 -0.242 20 0 CBADLP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000423613933 288315655 /nfs/dbraw/zinc/31/56/55/288315655.db2.gz WIHBXPDXEJZCGI-UTUOFQBUSA-N 2 2 282.388 -0.642 20 0 CBADLP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000423613933 288315658 /nfs/dbraw/zinc/31/56/58/288315658.db2.gz WIHBXPDXEJZCGI-UTUOFQBUSA-N 2 2 282.388 -0.642 20 0 CBADLP CC[C@]1(C(=O)N[C@@H]2C[NH2+][C@@H](C(=O)OC)C2)CCC[NH2+]1 ZINC000365753031 281303417 /nfs/dbraw/zinc/30/34/17/281303417.db2.gz KSMQNBALJCFBDS-OPQQBVKSSA-N 2 2 269.345 -0.462 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000434876817 288347123 /nfs/dbraw/zinc/34/71/23/288347123.db2.gz KOXHYNHOJYEKBL-VXGBXAGGSA-N 2 2 287.429 -0.082 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000434876817 288347124 /nfs/dbraw/zinc/34/71/24/288347124.db2.gz KOXHYNHOJYEKBL-VXGBXAGGSA-N 2 2 287.429 -0.082 20 0 CBADLP C[NH+](C)C/C=C/C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000492141396 289038111 /nfs/dbraw/zinc/03/81/11/289038111.db2.gz YZQAYDWIZRRTOZ-RVAOTSRCSA-N 2 2 253.346 -0.354 20 0 CBADLP C[NH+](C)C/C=C/C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000492141396 289038113 /nfs/dbraw/zinc/03/81/13/289038113.db2.gz YZQAYDWIZRRTOZ-RVAOTSRCSA-N 2 2 253.346 -0.354 20 0 CBADLP C[C@@](O)(CNc1cc[nH+]cc1C(N)=O)C[NH+]1CCOCC1 ZINC000302007468 289123728 /nfs/dbraw/zinc/12/37/28/289123728.db2.gz AUKINQXAXKATBX-CQSZACIVSA-N 2 2 294.355 -0.324 20 0 CBADLP C[C@H](C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1)[NH+]1CCOCC1 ZINC000353393665 289303102 /nfs/dbraw/zinc/30/31/02/289303102.db2.gz BFVJDKOXNFUFMX-AGIUHOORSA-N 2 2 267.373 -0.225 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246150766 289339044 /nfs/dbraw/zinc/33/90/44/289339044.db2.gz METGSSYEXKDGGU-ZJUUUORDSA-N 2 2 256.350 -0.157 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246150766 289339045 /nfs/dbraw/zinc/33/90/45/289339045.db2.gz METGSSYEXKDGGU-ZJUUUORDSA-N 2 2 256.350 -0.157 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000246150766 289339047 /nfs/dbraw/zinc/33/90/47/289339047.db2.gz METGSSYEXKDGGU-ZJUUUORDSA-N 2 2 256.350 -0.157 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246150766 289339048 /nfs/dbraw/zinc/33/90/48/289339048.db2.gz METGSSYEXKDGGU-ZJUUUORDSA-N 2 2 256.350 -0.157 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351524515 289754459 /nfs/dbraw/zinc/75/44/59/289754459.db2.gz RBIXVBSKVVDXJG-GHMZBOCLSA-N 2 2 279.344 -0.744 20 0 CBADLP C[C@H](O)C[N@@H+]1CCN(C(=O)NCCn2cc[nH+]c2)[C@@H](C)C1 ZINC000286989031 290095718 /nfs/dbraw/zinc/09/57/18/290095718.db2.gz FUNYXIFGSQKINI-STQMWFEESA-N 2 2 295.387 -0.020 20 0 CBADLP C[C@H](O)C[N@H+]1CCN(C(=O)NCCn2cc[nH+]c2)[C@@H](C)C1 ZINC000286989031 290095719 /nfs/dbraw/zinc/09/57/19/290095719.db2.gz FUNYXIFGSQKINI-STQMWFEESA-N 2 2 295.387 -0.020 20 0 CBADLP COC[C@H]([NH3+])C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000262270129 293116696 /nfs/dbraw/zinc/11/66/96/293116696.db2.gz KGXRCKYUVSIEFP-STQMWFEESA-N 2 2 285.388 -0.327 20 0 CBADLP CO[C@@H]1CCN(C(=O)[C@H](C)[NH+]2CCOCC2)[C@H](C[NH3+])C1 ZINC000359214785 293745163 /nfs/dbraw/zinc/74/51/63/293745163.db2.gz LZOFSAKVBBDOBF-RWMBFGLXSA-N 2 2 285.388 -0.328 20 0 CBADLP NC(=O)[C@H]1Cc2ccccc2C[N@@H+]1CCOCC[NH3+] ZINC000357025460 295235080 /nfs/dbraw/zinc/23/50/80/295235080.db2.gz GYIIDHXYAGFDBW-CYBMUJFWSA-N 2 2 263.341 -0.126 20 0 CBADLP NC(=O)[C@H]1Cc2ccccc2C[N@H+]1CCOCC[NH3+] ZINC000357025460 295235082 /nfs/dbraw/zinc/23/50/82/295235082.db2.gz GYIIDHXYAGFDBW-CYBMUJFWSA-N 2 2 263.341 -0.126 20 0 CBADLP O=C(C1C[NH2+]C1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000262289607 295454350 /nfs/dbraw/zinc/45/43/50/295454350.db2.gz XLWUBFOWVJZWRR-ZDUSSCGKSA-N 2 2 267.373 -0.081 20 0 CBADLP C[C@H]1C[N@H+](C[C@H]2CCC[NH2+]C2)CCN1S(C)(=O)=O ZINC000346973992 300267289 /nfs/dbraw/zinc/26/72/89/300267289.db2.gz IQDRKZCGJWYRNB-RYUDHWBXSA-N 2 2 275.418 -0.048 20 0 CBADLP C[C@H]1C[N@@H+](C[C@H]2CCC[NH2+]C2)CCN1S(C)(=O)=O ZINC000346973992 300267291 /nfs/dbraw/zinc/26/72/91/300267291.db2.gz IQDRKZCGJWYRNB-RYUDHWBXSA-N 2 2 275.418 -0.048 20 0 CBADLP NC(=O)NC(=O)CCC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000172935407 303267442 /nfs/dbraw/zinc/26/74/42/303267442.db2.gz WWRJLPCUDPFGKF-LBPRGKRZSA-N 2 2 298.387 -0.384 20 0 CBADLP NC(=O)NC(=O)CCC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000172935407 303267444 /nfs/dbraw/zinc/26/74/44/303267444.db2.gz WWRJLPCUDPFGKF-LBPRGKRZSA-N 2 2 298.387 -0.384 20 0 CBADLP [NH3+]CCNC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000418292345 303381917 /nfs/dbraw/zinc/38/19/17/303381917.db2.gz BUIKNNKJKQEZEL-LBPRGKRZSA-N 2 2 270.377 -0.159 20 0 CBADLP [NH3+]C[C@H]1CCCN1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000333788382 303423219 /nfs/dbraw/zinc/42/32/19/303423219.db2.gz MBPBSFBKAFKHDU-GFCCVEGCSA-N 2 2 282.388 -0.016 20 0 CBADLP C[C@@H](C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)[NH+]1CC(C)C1 ZINC000570938996 327637446 /nfs/dbraw/zinc/63/74/46/327637446.db2.gz BJILYGDGIOIPCH-KBPBESRZSA-N 2 2 299.415 -0.522 20 0 CBADLP C[NH2+]C[C@](C)(O)CN1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000574921985 327642092 /nfs/dbraw/zinc/64/20/92/327642092.db2.gz YHNYMNVBDQDVOC-AWEZNQCLSA-N 2 2 281.404 -0.492 20 0 CBADLP C[C@H](CC(=O)N1CC[NH+](CCO)CC1)n1cc[nH+]c1 ZINC000563238157 327991504 /nfs/dbraw/zinc/99/15/04/327991504.db2.gz UMFPOXXZWDQQPP-GFCCVEGCSA-N 2 2 266.345 -0.029 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000563349213 328056916 /nfs/dbraw/zinc/05/69/16/328056916.db2.gz FGEHMYZWIZURGT-UKRRQHHQSA-N 2 2 299.415 -0.472 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000563349213 328056917 /nfs/dbraw/zinc/05/69/17/328056917.db2.gz FGEHMYZWIZURGT-UKRRQHHQSA-N 2 2 299.415 -0.472 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000563349213 328056919 /nfs/dbraw/zinc/05/69/19/328056919.db2.gz FGEHMYZWIZURGT-UKRRQHHQSA-N 2 2 299.415 -0.472 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000563349213 328056920 /nfs/dbraw/zinc/05/69/20/328056920.db2.gz FGEHMYZWIZURGT-UKRRQHHQSA-N 2 2 299.415 -0.472 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000563363816 328059315 /nfs/dbraw/zinc/05/93/15/328059315.db2.gz LPFPFJBDQLVWMV-AVGNSLFASA-N 2 2 257.378 -0.686 20 0 CBADLP c1c[nH+]c(N2CC[NH+](C[C@@H]3COCCO3)CC2)[nH]1 ZINC000563356521 328058009 /nfs/dbraw/zinc/05/80/09/328058009.db2.gz XVQZXWYMXZXAFL-LLVKDONJSA-N 2 2 252.318 -0.053 20 0 CBADLP C[N@@H+]1CCN(C(=O)CC(F)(F)C[NH3+])[C@H](C[NH3+])C1 ZINC000563337151 328054573 /nfs/dbraw/zinc/05/45/73/328054573.db2.gz RDDIXWRCZYCSQY-MRVPVSSYSA-N 3 2 250.293 -0.928 20 0 CBADLP C[N@H+]1CCN(C(=O)CC(F)(F)C[NH3+])[C@H](C[NH3+])C1 ZINC000563337151 328054574 /nfs/dbraw/zinc/05/45/74/328054574.db2.gz RDDIXWRCZYCSQY-MRVPVSSYSA-N 3 2 250.293 -0.928 20 0 CBADLP CCOC(=O)[C@H](CC)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000563439558 328065647 /nfs/dbraw/zinc/06/56/47/328065647.db2.gz GUJVNQRHIAQFTQ-MXWKQRLJSA-N 2 2 269.345 -0.428 20 0 CBADLP CCOC(=O)[C@H](CC)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000563439558 328065649 /nfs/dbraw/zinc/06/56/49/328065649.db2.gz GUJVNQRHIAQFTQ-MXWKQRLJSA-N 2 2 269.345 -0.428 20 0 CBADLP Cc1[nH+]ccn1CCC[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000563444004 328067019 /nfs/dbraw/zinc/06/70/19/328067019.db2.gz ZYLIKEGNSQOBAZ-STQMWFEESA-N 3 2 277.372 -0.175 20 0 CBADLP Cc1[nH+]ccn1CCC[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000563444004 328067020 /nfs/dbraw/zinc/06/70/20/328067020.db2.gz ZYLIKEGNSQOBAZ-STQMWFEESA-N 3 2 277.372 -0.175 20 0 CBADLP C[C@@H]1C[NH2+]CCN1C(=O)c1cc([C@H]2CC[NH2+]C2)[nH]n1 ZINC000563534968 328072447 /nfs/dbraw/zinc/07/24/47/328072447.db2.gz MOLGKMMSUSJDCQ-ZJUUUORDSA-N 2 2 263.345 -0.080 20 0 CBADLP COC[C@@H](C)CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000563581202 328075129 /nfs/dbraw/zinc/07/51/29/328075129.db2.gz JHVNPGLFIFOAFE-WDEREUQCSA-N 2 2 258.366 -0.447 20 0 CBADLP COC[C@@H](C)CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000563581202 328075131 /nfs/dbraw/zinc/07/51/31/328075131.db2.gz JHVNPGLFIFOAFE-WDEREUQCSA-N 2 2 258.366 -0.447 20 0 CBADLP COC[C@@H](C)CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000563581201 328075245 /nfs/dbraw/zinc/07/52/45/328075245.db2.gz JHVNPGLFIFOAFE-QWRGUYRKSA-N 2 2 258.366 -0.447 20 0 CBADLP COC[C@@H](C)CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000563581201 328075247 /nfs/dbraw/zinc/07/52/47/328075247.db2.gz JHVNPGLFIFOAFE-QWRGUYRKSA-N 2 2 258.366 -0.447 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000563619957 328077412 /nfs/dbraw/zinc/07/74/12/328077412.db2.gz DSUQIIHWWKIGPI-OLZOCXBDSA-N 2 2 296.415 -0.489 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000563619957 328077413 /nfs/dbraw/zinc/07/74/13/328077413.db2.gz DSUQIIHWWKIGPI-OLZOCXBDSA-N 2 2 296.415 -0.489 20 0 CBADLP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000563624135 328078233 /nfs/dbraw/zinc/07/82/33/328078233.db2.gz LJQKLDPBQLENTC-NEPJUHHUSA-N 2 2 295.387 -0.026 20 0 CBADLP C[N@@H+]1CCN(C(=O)NCCNC(=O)C(C)(C)C)[C@H](C[NH3+])C1 ZINC000571268372 328096381 /nfs/dbraw/zinc/09/63/81/328096381.db2.gz FKTHELJSICIBRJ-LLVKDONJSA-N 2 2 299.419 -0.567 20 0 CBADLP C[N@H+]1CCN(C(=O)NCCNC(=O)C(C)(C)C)[C@H](C[NH3+])C1 ZINC000571268372 328096383 /nfs/dbraw/zinc/09/63/83/328096383.db2.gz FKTHELJSICIBRJ-LLVKDONJSA-N 2 2 299.419 -0.567 20 0 CBADLP [NH3+]Cc1ccc(CNC(=O)CN2CC[NH2+]CC2=O)cc1 ZINC000571326699 328107644 /nfs/dbraw/zinc/10/76/44/328107644.db2.gz OWHDDMWGBXXELS-UHFFFAOYSA-N 2 2 276.340 -0.807 20 0 CBADLP COC(=O)CN(C)C(=O)CC[N@H+](C)[C@@H]1CC[NH2+]C1 ZINC000571522070 328131279 /nfs/dbraw/zinc/13/12/79/328131279.db2.gz XIADZHHSLHKJDS-SNVBAGLBSA-N 2 2 257.334 -0.698 20 0 CBADLP COC(=O)CN(C)C(=O)CC[N@@H+](C)[C@@H]1CC[NH2+]C1 ZINC000571522070 328131280 /nfs/dbraw/zinc/13/12/80/328131280.db2.gz XIADZHHSLHKJDS-SNVBAGLBSA-N 2 2 257.334 -0.698 20 0 CBADLP C[C@@H](C[NH3+])C(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000563807894 328520488 /nfs/dbraw/zinc/52/04/88/328520488.db2.gz JIVALAWENDHDEJ-NSHDSACASA-N 2 2 265.361 -0.341 20 0 CBADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)N[C@H]1CC[NH2+]C1 ZINC000563821086 328521377 /nfs/dbraw/zinc/52/13/77/328521377.db2.gz DGPLVFFQVBGDMH-FRRDWIJNSA-N 2 2 282.388 -0.147 20 0 CBADLP C[C@H](NC(=O)COC1CC[NH2+]CC1)[C@H](C)[NH+]1CCOCC1 ZINC000583992522 326832768 /nfs/dbraw/zinc/83/27/68/326832768.db2.gz PQEKDZGUDAIVPL-STQMWFEESA-N 2 2 299.415 -0.020 20 0 CBADLP [NH3+][C@@H](CNC(=O)NCC1([NH+]2CCOCC2)CC1)C1CC1 ZINC000557204725 326997076 /nfs/dbraw/zinc/99/70/76/326997076.db2.gz GOYXGWSALQBYCX-LBPRGKRZSA-N 2 2 282.388 -0.112 20 0 CBADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]CCC(=O)NC(N)=O ZINC000564844980 327008919 /nfs/dbraw/zinc/00/89/19/327008919.db2.gz PBQLEEDSHDJSBI-SNVBAGLBSA-N 2 2 272.349 -0.728 20 0 CBADLP COCC[N@H+]1CCC[C@@H]1C[NH2+]CCC(=O)NC(N)=O ZINC000564844980 327008920 /nfs/dbraw/zinc/00/89/20/327008920.db2.gz PBQLEEDSHDJSBI-SNVBAGLBSA-N 2 2 272.349 -0.728 20 0 CBADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CCNC(=O)C2CC2)C[C@H](C)O1 ZINC000564846579 327010791 /nfs/dbraw/zinc/01/07/91/327010791.db2.gz PVYVWKVLFFQHRA-MBNYWOFBSA-N 2 2 299.415 -0.428 20 0 CBADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CCNC(=O)C2CC2)C[C@H](C)O1 ZINC000564846579 327010792 /nfs/dbraw/zinc/01/07/92/327010792.db2.gz PVYVWKVLFFQHRA-MBNYWOFBSA-N 2 2 299.415 -0.428 20 0 CBADLP C[NH2+][C@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCN(C)CC2)C1 ZINC000569003738 327028688 /nfs/dbraw/zinc/02/86/88/327028688.db2.gz RATVOCOMHRFZIL-OLZOCXBDSA-N 2 2 268.405 -0.167 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)C[C@@H]2C[NH2+]CCO2)CCO1 ZINC000584175299 327058524 /nfs/dbraw/zinc/05/85/24/327058524.db2.gz RQUYIYDHKQQWQD-VXGBXAGGSA-N 2 2 271.361 -0.798 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)C[C@@H]2C[NH2+]CCO2)CCO1 ZINC000584175299 327058525 /nfs/dbraw/zinc/05/85/25/327058525.db2.gz RQUYIYDHKQQWQD-VXGBXAGGSA-N 2 2 271.361 -0.798 20 0 CBADLP COCC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000558531331 327101877 /nfs/dbraw/zinc/10/18/77/327101877.db2.gz TYDZVHPNYIITCH-LLVKDONJSA-N 2 2 266.345 -0.201 20 0 CBADLP COCC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000558531331 327101878 /nfs/dbraw/zinc/10/18/78/327101878.db2.gz TYDZVHPNYIITCH-LLVKDONJSA-N 2 2 266.345 -0.201 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000566068091 327124733 /nfs/dbraw/zinc/12/47/33/327124733.db2.gz RAVQENQEHOWIES-VXGBXAGGSA-N 2 2 284.404 -0.314 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000566068091 327124734 /nfs/dbraw/zinc/12/47/34/327124734.db2.gz RAVQENQEHOWIES-VXGBXAGGSA-N 2 2 284.404 -0.314 20 0 CBADLP [NH3+][C@H]1C[C@H]2C[N@H+](CC(=O)NCC3CCC3)CCN2C1=O ZINC000573339726 327137600 /nfs/dbraw/zinc/13/76/00/327137600.db2.gz VOUJDCDLAYBWKB-RYUDHWBXSA-N 2 2 280.372 -0.854 20 0 CBADLP [NH3+][C@H]1C[C@H]2C[N@@H+](CC(=O)NCC3CCC3)CCN2C1=O ZINC000573339726 327137602 /nfs/dbraw/zinc/13/76/02/327137602.db2.gz VOUJDCDLAYBWKB-RYUDHWBXSA-N 2 2 280.372 -0.854 20 0 CBADLP COC[C@]1(C(=O)N[C@H](C)C[NH+]2CCN(C)CC2)CC[NH2+]C1 ZINC000566179889 327157882 /nfs/dbraw/zinc/15/78/82/327157882.db2.gz VZNYNQQPVYFLRM-HIFRSBDPSA-N 2 2 298.431 -0.635 20 0 CBADLP COC[C@]1(C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)CC[NH2+]C1 ZINC000566179893 327157955 /nfs/dbraw/zinc/15/79/55/327157955.db2.gz VZNYNQQPVYFLRM-ZFWWWQNUSA-N 2 2 298.431 -0.635 20 0 CBADLP C[N@@H+]1CCN(C(=O)N[C@H]2CCCOC2)[C@H](C[NH3+])C1 ZINC000569440721 327177301 /nfs/dbraw/zinc/17/73/01/327177301.db2.gz FZASVHPKTDDCNU-WDEREUQCSA-N 2 2 256.350 -0.550 20 0 CBADLP C[N@H+]1CCN(C(=O)N[C@H]2CCCOC2)[C@H](C[NH3+])C1 ZINC000569440721 327177302 /nfs/dbraw/zinc/17/73/02/327177302.db2.gz FZASVHPKTDDCNU-WDEREUQCSA-N 2 2 256.350 -0.550 20 0 CBADLP C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000569461157 327180928 /nfs/dbraw/zinc/18/09/28/327180928.db2.gz TXDYQNKXYDUOQT-RISCZKNCSA-N 2 2 278.356 -0.372 20 0 CBADLP C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000569461157 327180929 /nfs/dbraw/zinc/18/09/29/327180929.db2.gz TXDYQNKXYDUOQT-RISCZKNCSA-N 2 2 278.356 -0.372 20 0 CBADLP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000569607636 327209620 /nfs/dbraw/zinc/20/96/20/327209620.db2.gz SQGUYOVXRAVGGG-WOPDTQHZSA-N 2 2 255.362 -0.179 20 0 CBADLP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000569607636 327209621 /nfs/dbraw/zinc/20/96/21/327209621.db2.gz SQGUYOVXRAVGGG-WOPDTQHZSA-N 2 2 255.362 -0.179 20 0 CBADLP CCS(=O)(=O)NCC[NH2+]Cc1c[nH+]c(C)n1C ZINC000583392929 327340703 /nfs/dbraw/zinc/34/07/03/327340703.db2.gz UNUCJHZYZBNMSW-UHFFFAOYSA-N 2 2 260.363 -0.243 20 0 CBADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C)C[NH2+]C)CC1 ZINC000564996168 327351057 /nfs/dbraw/zinc/35/10/57/327351057.db2.gz RIKZDBAPPJVEGE-LBPRGKRZSA-N 2 2 284.404 -0.488 20 0 CBADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](C)C[NH2+]C)CC1 ZINC000564996168 327351058 /nfs/dbraw/zinc/35/10/58/327351058.db2.gz RIKZDBAPPJVEGE-LBPRGKRZSA-N 2 2 284.404 -0.488 20 0 CBADLP COc1cccnc1C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000583435811 327362153 /nfs/dbraw/zinc/36/21/53/327362153.db2.gz FRBHVWZDRDTOJI-CYBMUJFWSA-N 2 2 294.399 -0.212 20 0 CBADLP CO[C@H](C)CCNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000561155939 327369972 /nfs/dbraw/zinc/36/99/72/327369972.db2.gz LJKMLHMUXCVICQ-GHMZBOCLSA-N 2 2 258.366 -0.304 20 0 CBADLP CO[C@H](C)CCNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000561155939 327369973 /nfs/dbraw/zinc/36/99/73/327369973.db2.gz LJKMLHMUXCVICQ-GHMZBOCLSA-N 2 2 258.366 -0.304 20 0 CBADLP CCC([NH3+])(CC)CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000561215561 327376216 /nfs/dbraw/zinc/37/62/16/327376216.db2.gz DFLHGBIZGLGONM-NSHDSACASA-N 3 2 271.409 -0.212 20 0 CBADLP CCC([NH3+])(CC)CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000561215561 327376218 /nfs/dbraw/zinc/37/62/18/327376218.db2.gz DFLHGBIZGLGONM-NSHDSACASA-N 3 2 271.409 -0.212 20 0 CBADLP O=C(C[NH+]1CCCC1)N1CC[NH+](CC2(CO)COC2)CC1 ZINC000151019066 327410542 /nfs/dbraw/zinc/41/05/42/327410542.db2.gz HSRTYSCNENCIFH-UHFFFAOYSA-N 2 2 297.399 -0.765 20 0 CBADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@H](C)[NH+]2CC(C)C2)CC1 ZINC000570105105 327569649 /nfs/dbraw/zinc/56/96/49/327569649.db2.gz VMNXMZMUUXHFPH-STQMWFEESA-N 2 2 269.389 -0.148 20 0 CBADLP OCC(CO)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000570341641 327584008 /nfs/dbraw/zinc/58/40/08/327584008.db2.gz MFLMYNAFUBAMPB-UHFFFAOYSA-N 2 2 280.368 -0.038 20 0 CBADLP CCN1CCN(C(=O)NC2C[NH2+]C2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000570618733 327604151 /nfs/dbraw/zinc/60/41/51/327604151.db2.gz OXTRCALGVQHJDM-LLVKDONJSA-N 2 2 278.360 -0.230 20 0 CBADLP O=C(COC1C[NH2+]C1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000582357771 328969619 /nfs/dbraw/zinc/96/96/19/328969619.db2.gz NQFJMNLIQNZTLZ-UHFFFAOYSA-N 2 2 290.367 -0.286 20 0 CBADLP COC[C@@]1(C(=O)NCC[N@@H+]2CCO[C@H](C)C2)CC[NH2+]C1 ZINC000582548708 329105720 /nfs/dbraw/zinc/10/57/20/329105720.db2.gz UIACCYPVXWIKCY-TZMCWYRMSA-N 2 2 285.388 -0.551 20 0 CBADLP COC[C@@]1(C(=O)NCC[N@H+]2CCO[C@H](C)C2)CC[NH2+]C1 ZINC000582548708 329105721 /nfs/dbraw/zinc/10/57/21/329105721.db2.gz UIACCYPVXWIKCY-TZMCWYRMSA-N 2 2 285.388 -0.551 20 0 CBADLP CC[C@@]1(O)CC[N@H+](C[C@H](O)C[NH+](C)CCOC)C1 ZINC000582614556 329117492 /nfs/dbraw/zinc/11/74/92/329117492.db2.gz HTVRJXGKHYIFAV-CHWSQXEVSA-N 2 2 260.378 -0.228 20 0 CBADLP CC[C@@]1(O)CC[N@@H+](C[C@H](O)C[NH+](C)CCOC)C1 ZINC000582614556 329117494 /nfs/dbraw/zinc/11/74/94/329117494.db2.gz HTVRJXGKHYIFAV-CHWSQXEVSA-N 2 2 260.378 -0.228 20 0 CBADLP CC[C@@]1(O)CC[NH+](C[C@H](O)C[N@H+](C)CCOC)C1 ZINC000582614556 329117496 /nfs/dbraw/zinc/11/74/96/329117496.db2.gz HTVRJXGKHYIFAV-CHWSQXEVSA-N 2 2 260.378 -0.228 20 0 CBADLP CC[C@@]1(O)CC[NH+](C[C@H](O)C[N@@H+](C)CCOC)C1 ZINC000582614556 329117498 /nfs/dbraw/zinc/11/74/98/329117498.db2.gz HTVRJXGKHYIFAV-CHWSQXEVSA-N 2 2 260.378 -0.228 20 0 CBADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC[C@H](O)C[NH+]1CCOCC1 ZINC000582840623 329276712 /nfs/dbraw/zinc/27/67/12/329276712.db2.gz DNADXUVKQKQYMM-SNPRPXQTSA-N 2 2 283.416 -0.248 20 0 CBADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC[C@H](O)C[NH+]1CCOCC1 ZINC000582840623 329276714 /nfs/dbraw/zinc/27/67/14/329276714.db2.gz DNADXUVKQKQYMM-SNPRPXQTSA-N 2 2 283.416 -0.248 20 0 CBADLP C[N@@H+]1CCN(C(=O)NC[C@H]2CCC[NH2+]2)[C@@H](C[NH3+])C1 ZINC000582894793 329282362 /nfs/dbraw/zinc/28/23/62/329282362.db2.gz POCXMSLSSWLTAH-MNOVXSKESA-N 3 2 255.366 -0.977 20 0 CBADLP C[N@H+]1CCN(C(=O)NC[C@H]2CCC[NH2+]2)[C@@H](C[NH3+])C1 ZINC000582894793 329282363 /nfs/dbraw/zinc/28/23/63/329282363.db2.gz POCXMSLSSWLTAH-MNOVXSKESA-N 3 2 255.366 -0.977 20 0 CBADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CC[NH+](CCO)CC1)CC2 ZINC000583028061 329304545 /nfs/dbraw/zinc/30/45/45/329304545.db2.gz FMZYYVQHDXCPSH-ZDUSSCGKSA-N 2 2 292.383 -0.110 20 0 CBADLP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000583032337 329305217 /nfs/dbraw/zinc/30/52/17/329305217.db2.gz LNKAZLAVFQUCPT-LLVKDONJSA-N 2 2 272.374 -0.285 20 0 CBADLP Cn1c[nH+]cc1CCC[N@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000583032337 329305219 /nfs/dbraw/zinc/30/52/19/329305219.db2.gz LNKAZLAVFQUCPT-LLVKDONJSA-N 2 2 272.374 -0.285 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1CC(=O)OC ZINC000572374438 330021357 /nfs/dbraw/zinc/02/13/57/330021357.db2.gz OCIJLWPKDZOTJZ-STQMWFEESA-N 2 2 288.388 -0.047 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1CC(=O)OC ZINC000572374438 330021359 /nfs/dbraw/zinc/02/13/59/330021359.db2.gz OCIJLWPKDZOTJZ-STQMWFEESA-N 2 2 288.388 -0.047 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]1CC(=O)OC ZINC000572374438 330021361 /nfs/dbraw/zinc/02/13/61/330021361.db2.gz OCIJLWPKDZOTJZ-STQMWFEESA-N 2 2 288.388 -0.047 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]1CC(=O)OC ZINC000572374438 330021362 /nfs/dbraw/zinc/02/13/62/330021362.db2.gz OCIJLWPKDZOTJZ-STQMWFEESA-N 2 2 288.388 -0.047 20 0 CBADLP C[N@@H+]1CCN(C(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)[C@H](C[NH3+])C1 ZINC000574987898 330117181 /nfs/dbraw/zinc/11/71/81/330117181.db2.gz ZLMHFDGRNWBKBL-VXGBXAGGSA-N 2 2 296.415 -0.265 20 0 CBADLP C[N@H+]1CCN(C(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)[C@H](C[NH3+])C1 ZINC000574987898 330117183 /nfs/dbraw/zinc/11/71/83/330117183.db2.gz ZLMHFDGRNWBKBL-VXGBXAGGSA-N 2 2 296.415 -0.265 20 0 CBADLP Cc1[nH+]ccn1CCNC(=O)N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000332960708 330125232 /nfs/dbraw/zinc/12/52/32/330125232.db2.gz AHKGRNLSPXRBGS-CHWSQXEVSA-N 2 2 293.371 -0.084 20 0 CBADLP Cc1[nH+]ccn1CCNC(=O)N1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000332960708 330125234 /nfs/dbraw/zinc/12/52/34/330125234.db2.gz AHKGRNLSPXRBGS-CHWSQXEVSA-N 2 2 293.371 -0.084 20 0 CBADLP CO[C@H]1C[NH2+][C@@H](C(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)C1 ZINC000575409038 335101276 /nfs/dbraw/zinc/10/12/76/335101276.db2.gz CPHMAOSKBMOFHD-DGAVXFQQSA-N 2 2 297.399 -0.458 20 0 CBADLP CO[C@H]1C[NH2+][C@@H](C(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)C1 ZINC000575409039 335101485 /nfs/dbraw/zinc/10/14/85/335101485.db2.gz CPHMAOSKBMOFHD-REWJHTLYSA-N 2 2 297.399 -0.458 20 0 CBADLP COC[C@@H](C(N)=O)[N@H+](C)CCCc1c[nH+]cn1C ZINC000575427214 335102887 /nfs/dbraw/zinc/10/28/87/335102887.db2.gz MUEFVEVAGKKPET-NSHDSACASA-N 2 2 254.334 -0.215 20 0 CBADLP COC[C@@H](C(N)=O)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000575427214 335102889 /nfs/dbraw/zinc/10/28/89/335102889.db2.gz MUEFVEVAGKKPET-NSHDSACASA-N 2 2 254.334 -0.215 20 0 CBADLP COC(=O)CCNC(=O)C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000575748439 335111767 /nfs/dbraw/zinc/11/17/67/335111767.db2.gz MBSRPRDGPDUFHL-SNVBAGLBSA-N 2 2 257.334 -0.664 20 0 CBADLP COC(=O)CCNC(=O)C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000575748439 335111768 /nfs/dbraw/zinc/11/17/68/335111768.db2.gz MBSRPRDGPDUFHL-SNVBAGLBSA-N 2 2 257.334 -0.664 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@H]1CCCC[N@H+]1CCO ZINC000575755474 335112393 /nfs/dbraw/zinc/11/23/93/335112393.db2.gz QABFGVZPPOBRQR-GFCCVEGCSA-N 2 2 266.345 -0.154 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@H]1CCCC[N@@H+]1CCO ZINC000575755474 335112394 /nfs/dbraw/zinc/11/23/94/335112394.db2.gz QABFGVZPPOBRQR-GFCCVEGCSA-N 2 2 266.345 -0.154 20 0 CBADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]C(CO)CO)c2cc1C ZINC000566232213 334637567 /nfs/dbraw/zinc/63/75/67/334637567.db2.gz LGOYAFLPOKIEKQ-ZDUSSCGKSA-N 2 2 293.367 -0.043 20 0 CBADLP C[NH2+][C@@H](C(=O)NCC(F)(F)C[NH3+])c1cnn(C)c1 ZINC000568998837 334850606 /nfs/dbraw/zinc/85/06/06/334850606.db2.gz HDHZVAVFMIXCJH-MRVPVSSYSA-N 2 2 261.276 -0.609 20 0 CBADLP Cc1noc(CC[NH2+]C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)n1 ZINC000575916542 335130460 /nfs/dbraw/zinc/13/04/60/335130460.db2.gz MOSTZZNBYHILHM-WZRBSPASSA-N 2 2 298.387 -0.020 20 0 CBADLP Cc1noc(CC[NH2+]C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000575916541 335130527 /nfs/dbraw/zinc/13/05/27/335130527.db2.gz MOSTZZNBYHILHM-NTZNESFSSA-N 2 2 298.387 -0.020 20 0 CBADLP Cc1noc(CC[NH2+]C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000575916541 335130528 /nfs/dbraw/zinc/13/05/28/335130528.db2.gz MOSTZZNBYHILHM-NTZNESFSSA-N 2 2 298.387 -0.020 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](OC)[C@@H](OC)C1 ZINC000311451735 334219442 /nfs/dbraw/zinc/21/94/42/334219442.db2.gz JJUWWLAPZBXLDG-RWMBFGLXSA-N 2 2 276.377 -0.729 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](OC)[C@@H](OC)C1 ZINC000311451735 334219443 /nfs/dbraw/zinc/21/94/43/334219443.db2.gz JJUWWLAPZBXLDG-RWMBFGLXSA-N 2 2 276.377 -0.729 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](OC)[C@@H](OC)C1 ZINC000311451735 334219444 /nfs/dbraw/zinc/21/94/44/334219444.db2.gz JJUWWLAPZBXLDG-RWMBFGLXSA-N 2 2 276.377 -0.729 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](OC)[C@@H](OC)C1 ZINC000311451735 334219445 /nfs/dbraw/zinc/21/94/45/334219445.db2.gz JJUWWLAPZBXLDG-RWMBFGLXSA-N 2 2 276.377 -0.729 20 0 CBADLP CC(C)[NH2+]C1(CO)CC[NH+](CCN2C(=O)CCC2=O)CC1 ZINC000564465110 334508912 /nfs/dbraw/zinc/50/89/12/334508912.db2.gz DRUSFCAHTFAVBN-UHFFFAOYSA-N 2 2 297.399 -0.040 20 0 CBADLP NC(=O)CC[NH2+]CCC[NH+]1CCN(c2ncccn2)CC1 ZINC000564846187 334523853 /nfs/dbraw/zinc/52/38/53/334523853.db2.gz IFGJEHOAIIZRTH-UHFFFAOYSA-N 2 2 292.387 -0.546 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000566169582 334631351 /nfs/dbraw/zinc/63/13/51/334631351.db2.gz KEJYFHITXPTQQW-NSHDSACASA-N 2 2 291.355 -0.105 20 0 CBADLP COC(=O)C[C@H]([NH3+])C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000567895135 334772793 /nfs/dbraw/zinc/77/27/93/334772793.db2.gz SEFNAWORESYHPB-NSHDSACASA-N 2 2 294.355 -0.232 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@H+](C)CCNC(=O)N(C)C ZINC000576289212 335184236 /nfs/dbraw/zinc/18/42/36/335184236.db2.gz YETTWBNVZCJNJB-LLVKDONJSA-N 2 2 260.382 -0.498 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)CCNC(=O)N(C)C ZINC000576289212 335184237 /nfs/dbraw/zinc/18/42/37/335184237.db2.gz YETTWBNVZCJNJB-LLVKDONJSA-N 2 2 260.382 -0.498 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+](C)CCNC(=O)N(C)C ZINC000576289212 335184234 /nfs/dbraw/zinc/18/42/34/335184234.db2.gz YETTWBNVZCJNJB-LLVKDONJSA-N 2 2 260.382 -0.498 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)CCNC(=O)N(C)C ZINC000576289212 335184235 /nfs/dbraw/zinc/18/42/35/335184235.db2.gz YETTWBNVZCJNJB-LLVKDONJSA-N 2 2 260.382 -0.498 20 0 CBADLP CN1C[C@H]([N@H+](C)C[C@@H](O)C[NH+](C)C2CC2)CCC1=O ZINC000576475317 335209342 /nfs/dbraw/zinc/20/93/42/335209342.db2.gz BRHXRMOFWVZNMO-OLZOCXBDSA-N 2 2 269.389 -0.006 20 0 CBADLP CN1C[C@H]([N@@H+](C)C[C@@H](O)C[NH+](C)C2CC2)CCC1=O ZINC000576475317 335209344 /nfs/dbraw/zinc/20/93/44/335209344.db2.gz BRHXRMOFWVZNMO-OLZOCXBDSA-N 2 2 269.389 -0.006 20 0 CBADLP CN1C[C@H]([NH+](C)C[C@@H](O)C[N@H+](C)C2CC2)CCC1=O ZINC000576475317 335209345 /nfs/dbraw/zinc/20/93/45/335209345.db2.gz BRHXRMOFWVZNMO-OLZOCXBDSA-N 2 2 269.389 -0.006 20 0 CBADLP CN1C[C@H]([NH+](C)C[C@@H](O)C[N@@H+](C)C2CC2)CCC1=O ZINC000576475317 335209347 /nfs/dbraw/zinc/20/93/47/335209347.db2.gz BRHXRMOFWVZNMO-OLZOCXBDSA-N 2 2 269.389 -0.006 20 0 CBADLP CC[N@H+](C)C[C@H](O)CN1CCN(Cc2[nH+]ccn2C)CC1 ZINC000576527275 335215175 /nfs/dbraw/zinc/21/51/75/335215175.db2.gz VFSVDPFVKNSIPR-AWEZNQCLSA-N 2 2 295.431 -0.150 20 0 CBADLP CC[N@@H+](C)C[C@H](O)CN1CCN(Cc2[nH+]ccn2C)CC1 ZINC000576527275 335215176 /nfs/dbraw/zinc/21/51/76/335215176.db2.gz VFSVDPFVKNSIPR-AWEZNQCLSA-N 2 2 295.431 -0.150 20 0 CBADLP C[C@H](C[NH3+])CNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000576718537 335239999 /nfs/dbraw/zinc/23/99/99/335239999.db2.gz DAFFFFWMLQDFCV-SECBINFHSA-N 2 2 275.312 -0.016 20 0 CBADLP COCCCS(=O)(=O)NCC[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000576954544 335269470 /nfs/dbraw/zinc/26/94/70/335269470.db2.gz RHUBTBWRMQSQRR-NEPJUHHUSA-N 2 2 293.433 -0.246 20 0 CBADLP COCCCS(=O)(=O)NCC[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000576954544 335269471 /nfs/dbraw/zinc/26/94/71/335269471.db2.gz RHUBTBWRMQSQRR-NEPJUHHUSA-N 2 2 293.433 -0.246 20 0 CBADLP C[C@H]1C[C@H](NC(=O)CN2CC[NH2+]CC2=O)CC[N@H+]1C ZINC000580560470 335281026 /nfs/dbraw/zinc/28/10/26/335281026.db2.gz HIYIAFSDOMRKRS-WDEREUQCSA-N 2 2 268.361 -0.983 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NCCC[NH+](C)C ZINC000192666138 335288808 /nfs/dbraw/zinc/28/88/08/335288808.db2.gz ZZJCOVNCXYZXAI-UHFFFAOYSA-N 2 2 272.393 -0.489 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NCCC[NH+](C)C ZINC000192666138 335288810 /nfs/dbraw/zinc/28/88/10/335288810.db2.gz ZZJCOVNCXYZXAI-UHFFFAOYSA-N 2 2 272.393 -0.489 20 0 CBADLP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000577059289 335292876 /nfs/dbraw/zinc/29/28/76/335292876.db2.gz IKZCECVXZYGBEJ-VXGBXAGGSA-N 2 2 277.372 -0.091 20 0 CBADLP C[N@H+]1CCN(C(=O)C[C@@H]2CSCC[NH2+]2)[C@H](C[NH3+])C1 ZINC000577371416 335342052 /nfs/dbraw/zinc/34/20/52/335342052.db2.gz BAJSVWQMNDXRLF-GHMZBOCLSA-N 3 2 272.418 -0.817 20 0 CBADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CCn2cncn2)C[C@@H](C)O1 ZINC000577384775 335346188 /nfs/dbraw/zinc/34/61/88/335346188.db2.gz ACKDVFTVOKHLMB-UPJWGTAASA-N 2 2 283.376 -0.662 20 0 CBADLP C[N@@H+](C[C@@H](O)C[NH2+]CC1(S(C)(=O)=O)CCC1)C1CC1 ZINC000577386014 335346415 /nfs/dbraw/zinc/34/64/15/335346415.db2.gz KDWNOTXGIHSOLM-LBPRGKRZSA-N 2 2 290.429 -0.002 20 0 CBADLP C[NH2+][C@@H](C(=O)NCC[N@@H+]1CCCOCC1)c1cnn(C)c1 ZINC000577392050 335347348 /nfs/dbraw/zinc/34/73/48/335347348.db2.gz KFXFTWDBNGUVSG-CYBMUJFWSA-N 2 2 295.387 -0.481 20 0 CBADLP C[NH2+][C@@H](C(=O)NCC[N@H+]1CCCOCC1)c1cnn(C)c1 ZINC000577392050 335347350 /nfs/dbraw/zinc/34/73/50/335347350.db2.gz KFXFTWDBNGUVSG-CYBMUJFWSA-N 2 2 295.387 -0.481 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](CC(N)=O)C(C)C ZINC000577699839 335390087 /nfs/dbraw/zinc/39/00/87/335390087.db2.gz QJZMFLXMEYALKZ-LLVKDONJSA-N 2 2 261.366 -0.879 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+](CC(N)=O)C(C)C ZINC000577699839 335390089 /nfs/dbraw/zinc/39/00/89/335390089.db2.gz QJZMFLXMEYALKZ-LLVKDONJSA-N 2 2 261.366 -0.879 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](CC(N)=O)C(C)C ZINC000577699839 335390090 /nfs/dbraw/zinc/39/00/90/335390090.db2.gz QJZMFLXMEYALKZ-LLVKDONJSA-N 2 2 261.366 -0.879 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)C2CC[NH2+]CC2)CCO1 ZINC000577734295 335394075 /nfs/dbraw/zinc/39/40/75/335394075.db2.gz ZIVIFHKXRZEVGL-LLVKDONJSA-N 2 2 255.362 -0.177 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)C2CC[NH2+]CC2)CCO1 ZINC000577734295 335394076 /nfs/dbraw/zinc/39/40/76/335394076.db2.gz ZIVIFHKXRZEVGL-LLVKDONJSA-N 2 2 255.362 -0.177 20 0 CBADLP CCO[C@@H]1COC[C@H]1[NH2+][C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000579555773 335800213 /nfs/dbraw/zinc/80/02/13/335800213.db2.gz HLAZDJIGULRXGC-BFHYXJOUSA-N 2 2 299.415 -0.068 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(O)(C(=O)OC)CC1 ZINC000581258611 336033406 /nfs/dbraw/zinc/03/34/06/336033406.db2.gz GAFSJRAGSGOUGW-LLVKDONJSA-N 2 2 274.361 -0.701 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(O)(C(=O)OC)CC1 ZINC000581258611 336033407 /nfs/dbraw/zinc/03/34/07/336033407.db2.gz GAFSJRAGSGOUGW-LLVKDONJSA-N 2 2 274.361 -0.701 20 0 CBADLP C[C@@H]1CC[C@H](CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])O1 ZINC000581300346 336041503 /nfs/dbraw/zinc/04/15/03/336041503.db2.gz LWAQCBWYWJXNLY-GRYCIOLGSA-N 2 2 270.377 -0.162 20 0 CBADLP C[C@@H]1CC[C@H](CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])O1 ZINC000581300346 336041504 /nfs/dbraw/zinc/04/15/04/336041504.db2.gz LWAQCBWYWJXNLY-GRYCIOLGSA-N 2 2 270.377 -0.162 20 0 CBADLP C[C@@H]1CC[C@H](CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])O1 ZINC000581300347 336041567 /nfs/dbraw/zinc/04/15/67/336041567.db2.gz LWAQCBWYWJXNLY-IJLUTSLNSA-N 2 2 270.377 -0.162 20 0 CBADLP C[C@@H]1CC[C@H](CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])O1 ZINC000581300347 336041568 /nfs/dbraw/zinc/04/15/68/336041568.db2.gz LWAQCBWYWJXNLY-IJLUTSLNSA-N 2 2 270.377 -0.162 20 0 CBADLP CCN1CC[NH+]([C@H]2CCN(C(=O)N[C@H]3CC[NH2+]C3)C2)CC1 ZINC000581322457 336049340 /nfs/dbraw/zinc/04/93/40/336049340.db2.gz ZLJRZGFVRMQBCF-KBPBESRZSA-N 2 2 295.431 -0.230 20 0 CBADLP COC[C@@](C)(O)C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000382583772 336094571 /nfs/dbraw/zinc/09/45/71/336094571.db2.gz WRXIVTCRYHVCDW-LBPRGKRZSA-N 2 2 256.350 -0.027 20 0 CBADLP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H]2CCCc3c[nH]nc32)CC1 ZINC000581603531 336110505 /nfs/dbraw/zinc/11/05/05/336110505.db2.gz ZTTDOWCIDAXLON-KGLIPLIRSA-N 2 2 293.415 -0.015 20 0 CBADLP CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000581676518 336127077 /nfs/dbraw/zinc/12/70/77/336127077.db2.gz ZTAVQJKYFFYNEH-GFCCVEGCSA-N 2 2 293.371 -0.221 20 0 CBADLP CC[N@H+]1CCOC[C@@H]1C(=O)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000581676518 336127079 /nfs/dbraw/zinc/12/70/79/336127079.db2.gz ZTAVQJKYFFYNEH-GFCCVEGCSA-N 2 2 293.371 -0.221 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)[C@@H]1CCC(=O)N(C)C1 ZINC000581675646 336127100 /nfs/dbraw/zinc/12/71/00/336127100.db2.gz ZRWQJXHSXAFOQB-CHWSQXEVSA-N 2 2 287.404 -0.522 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@@H]1CCC(=O)N(C)C1 ZINC000581675646 336127102 /nfs/dbraw/zinc/12/71/02/336127102.db2.gz ZRWQJXHSXAFOQB-CHWSQXEVSA-N 2 2 287.404 -0.522 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)[C@@H]1CCC(=O)N(C)C1 ZINC000581675646 336127103 /nfs/dbraw/zinc/12/71/03/336127103.db2.gz ZRWQJXHSXAFOQB-CHWSQXEVSA-N 2 2 287.404 -0.522 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@@H]1CCC(=O)N(C)C1 ZINC000581675646 336127105 /nfs/dbraw/zinc/12/71/05/336127105.db2.gz ZRWQJXHSXAFOQB-CHWSQXEVSA-N 2 2 287.404 -0.522 20 0 CBADLP COCC[NH2+]CCNC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000581725319 336137938 /nfs/dbraw/zinc/13/79/38/336137938.db2.gz HLWAAFHGRGWURG-UHFFFAOYSA-N 2 2 290.327 -0.372 20 0 CBADLP COC(=O)CC[N@@H+]1CCN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC000581919814 336166240 /nfs/dbraw/zinc/16/62/40/336166240.db2.gz VRWMUPFCLLGRQN-GFCCVEGCSA-N 2 2 294.355 -0.021 20 0 CBADLP COC(=O)CC[N@H+]1CCN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC000581919814 336166241 /nfs/dbraw/zinc/16/62/41/336166241.db2.gz VRWMUPFCLLGRQN-GFCCVEGCSA-N 2 2 294.355 -0.021 20 0 CBADLP O=C(CNC(=O)[C@H]1CCC[NH2+]1)Nc1cc[nH+]cc1O ZINC000581941617 336173542 /nfs/dbraw/zinc/17/35/42/336173542.db2.gz UQAFLYBJTPCBGO-SECBINFHSA-N 2 2 264.285 -0.984 20 0 CBADLP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)Nc1cc[nH+]cc1O ZINC000581941618 336173598 /nfs/dbraw/zinc/17/35/98/336173598.db2.gz UQAFLYBJTPCBGO-VIFPVBQESA-N 2 2 264.285 -0.984 20 0 CBADLP COCCCNC(=O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000386852200 336180803 /nfs/dbraw/zinc/18/08/03/336180803.db2.gz SWKXUASDBYYJQQ-NEPJUHHUSA-N 2 2 255.362 -0.177 20 0 CBADLP COCCCNC(=O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000386852200 336180805 /nfs/dbraw/zinc/18/08/05/336180805.db2.gz SWKXUASDBYYJQQ-NEPJUHHUSA-N 2 2 255.362 -0.177 20 0 CBADLP COC(C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)OC ZINC000161614896 522533592 /nfs/dbraw/zinc/53/35/92/522533592.db2.gz CGSVHKIVMARZOB-GFCCVEGCSA-N 2 2 285.388 -0.156 20 0 CBADLP COC(C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)OC ZINC000161614896 522533600 /nfs/dbraw/zinc/53/36/00/522533600.db2.gz CGSVHKIVMARZOB-GFCCVEGCSA-N 2 2 285.388 -0.156 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)CC(F)(F)C[NH3+] ZINC000566407789 517927596 /nfs/dbraw/zinc/92/75/96/517927596.db2.gz VENCLBPPSNYDGO-UHFFFAOYSA-N 2 2 265.304 -0.239 20 0 CBADLP O=C(NCCNc1cc[nH+]cc1)NCC[NH+]1CCOCC1 ZINC000356133681 534342919 /nfs/dbraw/zinc/34/29/19/534342919.db2.gz QTFQKKVMSPCXLM-UHFFFAOYSA-N 2 2 293.371 -0.453 20 0 CBADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@H](C)[NH3+])CC1 ZINC000157389467 523262647 /nfs/dbraw/zinc/26/26/47/523262647.db2.gz FMNNKMLSYRIIDD-ZJUUUORDSA-N 2 2 257.334 -0.571 20 0 CBADLP C[NH2+][C@H](C(=O)N1CC[N@@H+](C)C[C@@H]1C)c1cnn(C)c1 ZINC000357240012 536380132 /nfs/dbraw/zinc/38/01/32/536380132.db2.gz KXWBPTBGDJDNBD-JQWIXIFHSA-N 2 2 265.361 -0.157 20 0 CBADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)CCC[NH3+])CC1 ZINC000164029954 524161174 /nfs/dbraw/zinc/16/11/74/524161174.db2.gz ISWHXASTJCHFGI-NSHDSACASA-N 2 2 282.388 -0.463 20 0 CBADLP CSCC[C@@H]([NH3+])C(=O)N(C)CC[NH+]1CCOCC1 ZINC000157276139 525541482 /nfs/dbraw/zinc/54/14/82/525541482.db2.gz UNUHWQJJNXZPOP-LLVKDONJSA-N 2 2 275.418 -0.143 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](C[C@H](C)O)C[C@@H]2C)C1 ZINC000356902223 527734253 /nfs/dbraw/zinc/73/42/53/527734253.db2.gz LHEDTQVGLBHPLW-IHRRRGAJSA-N 2 2 299.415 -0.379 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[NH+](C[C@H](C)O)C[C@@H]2C)C1 ZINC000356902223 527734257 /nfs/dbraw/zinc/73/42/57/527734257.db2.gz LHEDTQVGLBHPLW-IHRRRGAJSA-N 2 2 299.415 -0.379 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)C1 ZINC000356902223 527734260 /nfs/dbraw/zinc/73/42/60/527734260.db2.gz LHEDTQVGLBHPLW-IHRRRGAJSA-N 2 2 299.415 -0.379 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)C1 ZINC000356902223 527734261 /nfs/dbraw/zinc/73/42/61/527734261.db2.gz LHEDTQVGLBHPLW-IHRRRGAJSA-N 2 2 299.415 -0.379 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)NCc2c[nH+]cn2C)C1 ZINC000377960209 527737745 /nfs/dbraw/zinc/73/77/45/527737745.db2.gz GDVZEECLXVFBFU-NSHDSACASA-N 2 2 252.318 -0.243 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)NCc2c[nH+]cn2C)C1 ZINC000377960209 527737750 /nfs/dbraw/zinc/73/77/50/527737750.db2.gz GDVZEECLXVFBFU-NSHDSACASA-N 2 2 252.318 -0.243 20 0 CBADLP CC(C)OCC[NH+]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000173646817 527961773 /nfs/dbraw/zinc/96/17/73/527961773.db2.gz CCUKAZLHNUUKQB-CQSZACIVSA-N 2 2 299.415 -0.114 20 0 CBADLP CC(C)OCC[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000173646817 527961776 /nfs/dbraw/zinc/96/17/76/527961776.db2.gz CCUKAZLHNUUKQB-CQSZACIVSA-N 2 2 299.415 -0.114 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000131491053 528376590 /nfs/dbraw/zinc/37/65/90/528376590.db2.gz KGEPUXWNJNVNNF-NWDGAFQWSA-N 2 2 284.404 -0.360 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000131491053 528376593 /nfs/dbraw/zinc/37/65/93/528376593.db2.gz KGEPUXWNJNVNNF-NWDGAFQWSA-N 2 2 284.404 -0.360 20 0 CBADLP CC(C)[N@@H+]1CCO[C@H](C(=O)NCC[NH+]2CCOCC2)C1 ZINC000377104118 529053555 /nfs/dbraw/zinc/05/35/55/529053555.db2.gz PYPQGVRUQWEQGK-ZDUSSCGKSA-N 2 2 285.388 -0.456 20 0 CBADLP CC(C)[N@H+]1CCO[C@H](C(=O)NCC[NH+]2CCOCC2)C1 ZINC000377104118 529053558 /nfs/dbraw/zinc/05/35/58/529053558.db2.gz PYPQGVRUQWEQGK-ZDUSSCGKSA-N 2 2 285.388 -0.456 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000354969752 529127034 /nfs/dbraw/zinc/12/70/34/529127034.db2.gz BZTWPVHYOPLGNL-ZDUSSCGKSA-N 2 2 298.431 -0.147 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000354969752 529127036 /nfs/dbraw/zinc/12/70/36/529127036.db2.gz BZTWPVHYOPLGNL-ZDUSSCGKSA-N 2 2 298.431 -0.147 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)CCCC(=O)NC)CC1 ZINC000179013812 529130692 /nfs/dbraw/zinc/13/06/92/529130692.db2.gz GMIBZADBZVGORO-CYBMUJFWSA-N 2 2 298.431 -0.003 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)CCCC(=O)NC)CC1 ZINC000179013812 529130695 /nfs/dbraw/zinc/13/06/95/529130695.db2.gz GMIBZADBZVGORO-CYBMUJFWSA-N 2 2 298.431 -0.003 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@@H](CO)C2)CC1 ZINC000305234113 529130835 /nfs/dbraw/zinc/13/08/35/529130835.db2.gz ZWQPOUFWZUGPCZ-CHWSQXEVSA-N 2 2 269.389 -0.147 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@@H](CO)C2)CC1 ZINC000305234113 529130838 /nfs/dbraw/zinc/13/08/38/529130838.db2.gz ZWQPOUFWZUGPCZ-CHWSQXEVSA-N 2 2 269.389 -0.147 20 0 CBADLP CC[NH+]1CCN(CCNC(=O)[C@@H]2COCC[N@@H+]2CC)CC1 ZINC000377259440 529145735 /nfs/dbraw/zinc/14/57/35/529145735.db2.gz LISSSOLYMVOMAE-AWEZNQCLSA-N 2 2 298.431 -0.539 20 0 CBADLP CC[NH+]1CCN(CCNC(=O)[C@@H]2COCC[N@H+]2CC)CC1 ZINC000377259440 529145737 /nfs/dbraw/zinc/14/57/37/529145737.db2.gz LISSSOLYMVOMAE-AWEZNQCLSA-N 2 2 298.431 -0.539 20 0 CBADLP CC[NH+](CC)CC(=O)N1CC[NH+](CCOCC[NH3+])CC1 ZINC000357077712 535489841 /nfs/dbraw/zinc/48/98/41/535489841.db2.gz PZVYELFNVIDJEM-UHFFFAOYSA-N 3 2 286.420 -0.552 20 0 CBADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC000236882223 535705067 /nfs/dbraw/zinc/70/50/67/535705067.db2.gz LOVWVHLOLLZJDK-KBPBESRZSA-N 2 2 298.431 -0.635 20 0 CBADLP C[NH+](C)CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC000356876912 535843661 /nfs/dbraw/zinc/84/36/61/535843661.db2.gz PONHJNFXJANASN-LBPRGKRZSA-N 2 2 255.362 -0.130 20 0 CBADLP C[NH+](C)CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC000356876912 535843672 /nfs/dbraw/zinc/84/36/72/535843672.db2.gz PONHJNFXJANASN-LBPRGKRZSA-N 2 2 255.362 -0.130 20 0 CBADLP CN(C)CC[N@H+](C)CCCN(C)C(=O)C[NH+](C)C ZINC000356506765 535852279 /nfs/dbraw/zinc/85/22/79/535852279.db2.gz PGSJPWQWMCKDJO-UHFFFAOYSA-N 2 2 258.410 -0.110 20 0 CBADLP CN(C)CC[N@@H+](C)CCCN(C)C(=O)C[NH+](C)C ZINC000356506765 535852285 /nfs/dbraw/zinc/85/22/85/535852285.db2.gz PGSJPWQWMCKDJO-UHFFFAOYSA-N 2 2 258.410 -0.110 20 0 CBADLP CN(CCCN(C)C(=O)C[NH+](C)C)CC[NH+](C)C ZINC000356506765 535852289 /nfs/dbraw/zinc/85/22/89/535852289.db2.gz PGSJPWQWMCKDJO-UHFFFAOYSA-N 2 2 258.410 -0.110 20 0 CBADLP C[NH2+][C@H](C(=O)N1CC[N@H+](C)C[C@@H]1C)c1cnn(C)c1 ZINC000357240012 536380131 /nfs/dbraw/zinc/38/01/31/536380131.db2.gz KXWBPTBGDJDNBD-JQWIXIFHSA-N 2 2 265.361 -0.157 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C[C@H]([NH3+])C1CC1 ZINC000123651941 582119254 /nfs/dbraw/zinc/11/92/54/582119254.db2.gz LWAQODGRLKIUIX-JQWIXIFHSA-N 2 2 255.362 -0.049 20 0 CBADLP Cc1cnn(C)c1C[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000394130198 582131769 /nfs/dbraw/zinc/13/17/69/582131769.db2.gz DFWBSLRHQCVCNO-UHFFFAOYSA-N 2 2 265.361 -0.408 20 0 CBADLP O=C1C[NH+](C/C=C/C[N@@H+]2CCCNC(=O)C2)CCCN1 ZINC000726790501 582138029 /nfs/dbraw/zinc/13/80/29/582138029.db2.gz DEZLWLBEFIWKPX-OWOJBTEDSA-N 2 2 280.372 -0.814 20 0 CBADLP O=C1C[NH+](C/C=C/C[N@H+]2CCCNC(=O)C2)CCCN1 ZINC000726790501 582138030 /nfs/dbraw/zinc/13/80/30/582138030.db2.gz DEZLWLBEFIWKPX-OWOJBTEDSA-N 2 2 280.372 -0.814 20 0 CBADLP O=C(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)NCc1ccccn1 ZINC000727830326 582142037 /nfs/dbraw/zinc/14/20/37/582142037.db2.gz MRMCPLASMBMTDT-RYUDHWBXSA-N 2 2 260.341 -0.151 20 0 CBADLP CC1(C)COCC[N@@H+]1CCNC(=O)CC[NH+]1CCOCC1 ZINC000728283273 582143756 /nfs/dbraw/zinc/14/37/56/582143756.db2.gz IGVMYFZEVGKQNT-UHFFFAOYSA-N 2 2 299.415 -0.064 20 0 CBADLP CC1(C)COCC[N@H+]1CCNC(=O)CC[NH+]1CCOCC1 ZINC000728283273 582143757 /nfs/dbraw/zinc/14/37/57/582143757.db2.gz IGVMYFZEVGKQNT-UHFFFAOYSA-N 2 2 299.415 -0.064 20 0 CBADLP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[NH+](CC(N)=O)CC1 ZINC000732272141 582157622 /nfs/dbraw/zinc/15/76/22/582157622.db2.gz JLDJDTAUTATXJV-GFCCVEGCSA-N 2 2 282.388 -0.510 20 0 CBADLP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[NH+](CC(N)=O)CC1 ZINC000732272141 582157623 /nfs/dbraw/zinc/15/76/23/582157623.db2.gz JLDJDTAUTATXJV-GFCCVEGCSA-N 2 2 282.388 -0.510 20 0 CBADLP C[NH+]1CCCC[C@@H]1C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000732272141 582157624 /nfs/dbraw/zinc/15/76/24/582157624.db2.gz JLDJDTAUTATXJV-GFCCVEGCSA-N 2 2 282.388 -0.510 20 0 CBADLP C[NH+]1CCCC[C@@H]1C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000732272141 582157626 /nfs/dbraw/zinc/15/76/26/582157626.db2.gz JLDJDTAUTATXJV-GFCCVEGCSA-N 2 2 282.388 -0.510 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=S)NCC(N)=O)C2)CC1 ZINC000732720565 582160579 /nfs/dbraw/zinc/16/05/79/582160579.db2.gz KQHFOYLDTMFSPD-JTQLQIEISA-N 2 2 299.444 -0.896 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=S)NCC(N)=O)C2)CC1 ZINC000732720565 582160580 /nfs/dbraw/zinc/16/05/80/582160580.db2.gz KQHFOYLDTMFSPD-JTQLQIEISA-N 2 2 299.444 -0.896 20 0 CBADLP CN(CC[NH+]1CCOCC1)C[C@@H](O)C[NH+]1CCCC1 ZINC000732872534 582161211 /nfs/dbraw/zinc/16/12/11/582161211.db2.gz YQMDDKKLPZNHMH-CQSZACIVSA-N 2 2 271.405 -0.293 20 0 CBADLP C[N@H+](CCN1CCOCC1)C[C@@H](O)C[NH+]1CCCC1 ZINC000732872534 582161212 /nfs/dbraw/zinc/16/12/12/582161212.db2.gz YQMDDKKLPZNHMH-CQSZACIVSA-N 2 2 271.405 -0.293 20 0 CBADLP C[N@@H+](CCN1CCOCC1)C[C@@H](O)C[NH+]1CCCC1 ZINC000732872534 582161213 /nfs/dbraw/zinc/16/12/13/582161213.db2.gz YQMDDKKLPZNHMH-CQSZACIVSA-N 2 2 271.405 -0.293 20 0 CBADLP O=C1NCCN1[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000734208800 582168342 /nfs/dbraw/zinc/16/83/42/582168342.db2.gz BMHIKTDLAZIYDU-KGLIPLIRSA-N 2 2 296.415 -0.067 20 0 CBADLP O=C1NCCN1[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000734208800 582168344 /nfs/dbraw/zinc/16/83/44/582168344.db2.gz BMHIKTDLAZIYDU-KGLIPLIRSA-N 2 2 296.415 -0.067 20 0 CBADLP CN1C(=O)C(=O)N(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)C1=O ZINC000738148530 582259845 /nfs/dbraw/zinc/25/98/45/582259845.db2.gz KWGDOSPNRRMZJX-SNVBAGLBSA-N 2 2 291.311 -0.102 20 0 CBADLP CN1C(=O)C(=O)N(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)C1=O ZINC000738148530 582259847 /nfs/dbraw/zinc/25/98/47/582259847.db2.gz KWGDOSPNRRMZJX-SNVBAGLBSA-N 2 2 291.311 -0.102 20 0 CBADLP C[C@@H](C(=O)N1CC[N@H+](C)[C@H](C)C1)N1CC[NH+](C)CC1 ZINC000748348534 582287604 /nfs/dbraw/zinc/28/76/04/582287604.db2.gz JBJNWRPSNUAYSZ-OLZOCXBDSA-N 2 2 268.405 -0.215 20 0 CBADLP C[C@@H](C(=O)N1CC[N@@H+](C)[C@H](C)C1)N1CC[NH+](C)CC1 ZINC000748348534 582287605 /nfs/dbraw/zinc/28/76/05/582287605.db2.gz JBJNWRPSNUAYSZ-OLZOCXBDSA-N 2 2 268.405 -0.215 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[NH+](CC(N)=O)CC1 ZINC000748558730 582288311 /nfs/dbraw/zinc/28/83/11/582288311.db2.gz NBEMZLDPVTWZPW-LLVKDONJSA-N 2 2 268.361 -0.900 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[NH+](CC(N)=O)CC1 ZINC000748558730 582288312 /nfs/dbraw/zinc/28/83/12/582288312.db2.gz NBEMZLDPVTWZPW-LLVKDONJSA-N 2 2 268.361 -0.900 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000748558730 582288313 /nfs/dbraw/zinc/28/83/13/582288313.db2.gz NBEMZLDPVTWZPW-LLVKDONJSA-N 2 2 268.361 -0.900 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000748558730 582288314 /nfs/dbraw/zinc/28/83/14/582288314.db2.gz NBEMZLDPVTWZPW-LLVKDONJSA-N 2 2 268.361 -0.900 20 0 CBADLP O=C1C[C@H]2CC[C@@H](CN1)[N@H+]2C[C@H](O)C[NH+]1CCCC1 ZINC000749115553 582289269 /nfs/dbraw/zinc/28/92/69/582289269.db2.gz IQLASDCOZNTBLN-FRRDWIJNSA-N 2 2 267.373 -0.204 20 0 CBADLP O=C1C[C@H]2CC[C@@H](CN1)[N@@H+]2C[C@H](O)C[NH+]1CCCC1 ZINC000749115553 582289270 /nfs/dbraw/zinc/28/92/70/582289270.db2.gz IQLASDCOZNTBLN-FRRDWIJNSA-N 2 2 267.373 -0.204 20 0 CBADLP CC(C)(C)[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)C(N)=O ZINC000749366959 582289531 /nfs/dbraw/zinc/28/95/31/582289531.db2.gz XNBLWKVBSJVSKN-WDEREUQCSA-N 2 2 257.378 -0.067 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)NCC[NH+]2CCC2)CCO1 ZINC000752660294 582295403 /nfs/dbraw/zinc/29/54/03/582295403.db2.gz CQFNYHADEXGJME-GFCCVEGCSA-N 2 2 270.377 -0.288 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)NCC[NH+]2CCC2)CCO1 ZINC000752660294 582295404 /nfs/dbraw/zinc/29/54/04/582295404.db2.gz CQFNYHADEXGJME-GFCCVEGCSA-N 2 2 270.377 -0.288 20 0 CBADLP C[NH+](C)CCNC(=S)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000760299586 582312868 /nfs/dbraw/zinc/31/28/68/582312868.db2.gz UEBMAKRFKPLOFF-QWRGUYRKSA-N 2 2 272.418 -0.563 20 0 CBADLP C[NH+](C)CCNC(=S)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000760299586 582312869 /nfs/dbraw/zinc/31/28/69/582312869.db2.gz UEBMAKRFKPLOFF-QWRGUYRKSA-N 2 2 272.418 -0.563 20 0 CBADLP C[C@H]1CC(=O)NCC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000761058419 582314210 /nfs/dbraw/zinc/31/42/10/582314210.db2.gz XVZAHPACCKVILW-RYUDHWBXSA-N 2 2 255.362 -0.347 20 0 CBADLP C[C@H]1CC(=O)NCC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000761058419 582314211 /nfs/dbraw/zinc/31/42/11/582314211.db2.gz XVZAHPACCKVILW-RYUDHWBXSA-N 2 2 255.362 -0.347 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)NCC[NH+](C)C)CCO1 ZINC000762421701 582317416 /nfs/dbraw/zinc/31/74/16/582317416.db2.gz CKYVWIRSDLNSEW-LLVKDONJSA-N 2 2 258.366 -0.432 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)NCC[NH+](C)C)CCO1 ZINC000762421701 582317417 /nfs/dbraw/zinc/31/74/17/582317417.db2.gz CKYVWIRSDLNSEW-LLVKDONJSA-N 2 2 258.366 -0.432 20 0 CBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C1([NH+](C)C)CCC1 ZINC000763067409 582319425 /nfs/dbraw/zinc/31/94/25/582319425.db2.gz GRKJUCZANJPIIR-CYBMUJFWSA-N 2 2 299.415 -0.378 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](C)[C@H](C)C2)C1 ZINC000768848976 582334701 /nfs/dbraw/zinc/33/47/01/582334701.db2.gz XHTBQUIYABMBRJ-VXGBXAGGSA-N 2 2 255.362 -0.130 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](C)[C@H](C)C2)C1 ZINC000768848976 582334702 /nfs/dbraw/zinc/33/47/02/582334702.db2.gz XHTBQUIYABMBRJ-VXGBXAGGSA-N 2 2 255.362 -0.130 20 0 CBADLP CC[NH+]1CCO[C@@H](C(=O)N2CC[N@H+](C)[C@H](C)C2)C1 ZINC000768848976 582334703 /nfs/dbraw/zinc/33/47/03/582334703.db2.gz XHTBQUIYABMBRJ-VXGBXAGGSA-N 2 2 255.362 -0.130 20 0 CBADLP CC[NH+]1CCO[C@@H](C(=O)N2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000768848976 582334704 /nfs/dbraw/zinc/33/47/04/582334704.db2.gz XHTBQUIYABMBRJ-VXGBXAGGSA-N 2 2 255.362 -0.130 20 0 CBADLP C[C@H](NC(=S)NCC[NH+](C)C)[C@@H]1C[N@H+](C)CCO1 ZINC000769791916 582336630 /nfs/dbraw/zinc/33/66/30/582336630.db2.gz IAQBTGOIGJXYJR-QWRGUYRKSA-N 2 2 274.434 -0.269 20 0 CBADLP C[C@H](NC(=S)NCC[NH+](C)C)[C@@H]1C[N@@H+](C)CCO1 ZINC000769791916 582336631 /nfs/dbraw/zinc/33/66/31/582336631.db2.gz IAQBTGOIGJXYJR-QWRGUYRKSA-N 2 2 274.434 -0.269 20 0 CBADLP Cn1ncc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000786146378 582378036 /nfs/dbraw/zinc/37/80/36/582378036.db2.gz ZWACLXJPDVKHHA-LLVKDONJSA-N 2 2 292.387 -0.287 20 0 CBADLP Cn1ncc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000786146378 582378037 /nfs/dbraw/zinc/37/80/37/582378037.db2.gz ZWACLXJPDVKHHA-LLVKDONJSA-N 2 2 292.387 -0.287 20 0 CBADLP Cn1cc[nH+]c1N1CC[NH+]([C@H]2CCC(=O)NC2=O)CC1 ZINC000788021240 582383908 /nfs/dbraw/zinc/38/39/08/582383908.db2.gz MDJWYFDZYFXZCF-JTQLQIEISA-N 2 2 277.328 -0.653 20 0 CBADLP C[N@@H+]1CC[C@@]2(CC[NH+]([C@H]3CCC(=O)NC3=O)C2)C1 ZINC000795332151 582408469 /nfs/dbraw/zinc/40/84/69/582408469.db2.gz GJTCPKSPPUYXTI-GXFFZTMASA-N 2 2 251.330 -0.181 20 0 CBADLP C[N@H+]1CC[C@@]2(CC[NH+]([C@H]3CCC(=O)NC3=O)C2)C1 ZINC000795332151 582408470 /nfs/dbraw/zinc/40/84/70/582408470.db2.gz GJTCPKSPPUYXTI-GXFFZTMASA-N 2 2 251.330 -0.181 20 0 CBADLP C[NH+]1CC[C@@]2(CC[N@@H+]([C@H]3CCC(=O)NC3=O)C2)C1 ZINC000795332151 582408471 /nfs/dbraw/zinc/40/84/71/582408471.db2.gz GJTCPKSPPUYXTI-GXFFZTMASA-N 2 2 251.330 -0.181 20 0 CBADLP C[NH+]1CC[C@@]2(CC[N@H+]([C@H]3CCC(=O)NC3=O)C2)C1 ZINC000795332151 582408472 /nfs/dbraw/zinc/40/84/72/582408472.db2.gz GJTCPKSPPUYXTI-GXFFZTMASA-N 2 2 251.330 -0.181 20 0 CBADLP C[N@H+](CCS(N)(=O)=O)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000796461094 582411847 /nfs/dbraw/zinc/41/18/47/582411847.db2.gz IUXSWYWFZOIXGL-ZACCUICWSA-N 2 2 261.391 -0.168 20 0 CBADLP C[N@@H+](CCS(N)(=O)=O)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000796461094 582411848 /nfs/dbraw/zinc/41/18/48/582411848.db2.gz IUXSWYWFZOIXGL-ZACCUICWSA-N 2 2 261.391 -0.168 20 0 CBADLP C[NH+](CCS(N)(=O)=O)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000796461094 582411849 /nfs/dbraw/zinc/41/18/49/582411849.db2.gz IUXSWYWFZOIXGL-ZACCUICWSA-N 2 2 261.391 -0.168 20 0 CBADLP C[NH+](CCS(N)(=O)=O)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000796461094 582411850 /nfs/dbraw/zinc/41/18/50/582411850.db2.gz IUXSWYWFZOIXGL-ZACCUICWSA-N 2 2 261.391 -0.168 20 0 CBADLP C[C@@H]1CCNC(=O)[C@@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000799345955 582419561 /nfs/dbraw/zinc/41/95/61/582419561.db2.gz CEJJXMOOQYZDDH-IJLUTSLNSA-N 2 2 255.362 -0.443 20 0 CBADLP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1cnn(C)n1 ZINC000815123492 582461145 /nfs/dbraw/zinc/46/11/45/582461145.db2.gz ADTOPAZRIALXFA-NSHDSACASA-N 2 2 252.366 -0.459 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@@H]2CCC(=O)O2)CC1 ZINC000821387729 582603122 /nfs/dbraw/zinc/60/31/22/582603122.db2.gz WNSBEHGHRKGPAF-QWHCGFSZSA-N 2 2 295.383 -0.070 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@@H]2CCC(=O)O2)CC1 ZINC000821387729 582603124 /nfs/dbraw/zinc/60/31/24/582603124.db2.gz WNSBEHGHRKGPAF-QWHCGFSZSA-N 2 2 295.383 -0.070 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000824740912 582708145 /nfs/dbraw/zinc/70/81/45/582708145.db2.gz LZSHKJKAENIFLA-QWRGUYRKSA-N 2 2 264.329 -0.068 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000824740912 582708148 /nfs/dbraw/zinc/70/81/48/582708148.db2.gz LZSHKJKAENIFLA-QWRGUYRKSA-N 2 2 264.329 -0.068 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C[C@H]1CC(=O)NC1=O ZINC000824955935 582716517 /nfs/dbraw/zinc/71/65/17/582716517.db2.gz DLTRSELZWPNTNI-NSHDSACASA-N 2 2 298.387 -0.961 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C[C@H]1CC(=O)NC1=O ZINC000824955935 582716518 /nfs/dbraw/zinc/71/65/18/582716518.db2.gz DLTRSELZWPNTNI-NSHDSACASA-N 2 2 298.387 -0.961 20 0 CBADLP O=C(NCc1cccnc1-n1cc[nH+]c1)[C@@H]1C[NH2+]CCO1 ZINC000826726681 582787389 /nfs/dbraw/zinc/78/73/89/582787389.db2.gz ZAXDSFVOEGLMPG-LBPRGKRZSA-N 2 2 287.323 -0.128 20 0 CBADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C)[C@@H](CO)C1 ZINC000827983141 582838255 /nfs/dbraw/zinc/83/82/55/582838255.db2.gz IIMSVMMAFAJNKI-OLZOCXBDSA-N 2 2 269.389 -0.006 20 0 CBADLP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C)[C@@H](CO)C1 ZINC000827983141 582838256 /nfs/dbraw/zinc/83/82/56/582838256.db2.gz IIMSVMMAFAJNKI-OLZOCXBDSA-N 2 2 269.389 -0.006 20 0 CBADLP CC(C)[NH+]1CCC[C@H]1C(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000827983141 582838258 /nfs/dbraw/zinc/83/82/58/582838258.db2.gz IIMSVMMAFAJNKI-OLZOCXBDSA-N 2 2 269.389 -0.006 20 0 CBADLP CC(C)[NH+]1CCC[C@H]1C(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000827983141 582838260 /nfs/dbraw/zinc/83/82/60/582838260.db2.gz IIMSVMMAFAJNKI-OLZOCXBDSA-N 2 2 269.389 -0.006 20 0 CBADLP C[NH+]1CCC(OCC(=O)N2CC[N@H+](C)[C@H](CO)C2)CC1 ZINC000827983891 582838625 /nfs/dbraw/zinc/83/86/25/582838625.db2.gz WRXWGPKOQOHUEN-LBPRGKRZSA-N 2 2 285.388 -0.768 20 0 CBADLP C[NH+]1CCC(OCC(=O)N2CC[N@@H+](C)[C@H](CO)C2)CC1 ZINC000827983891 582838628 /nfs/dbraw/zinc/83/86/28/582838628.db2.gz WRXWGPKOQOHUEN-LBPRGKRZSA-N 2 2 285.388 -0.768 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@]3(F)CC[NH2+]C3)C2)CC1 ZINC000829484711 582888109 /nfs/dbraw/zinc/88/81/09/582888109.db2.gz WLBLZKKAZCCXTA-SWLSCSKDSA-N 3 2 298.406 -0.027 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@]3(F)CC[NH2+]C3)C2)CC1 ZINC000829484711 582888110 /nfs/dbraw/zinc/88/81/10/582888110.db2.gz WLBLZKKAZCCXTA-SWLSCSKDSA-N 3 2 298.406 -0.027 20 0 CBADLP C[C@@H](CNC(=O)C[C@H]([NH3+])C1CC1)[NH+]1CCN(C)CC1 ZINC000829918599 582906345 /nfs/dbraw/zinc/90/63/45/582906345.db2.gz TUIZCNXIZCGXRH-AAEUAGOBSA-N 2 2 268.405 -0.134 20 0 CBADLP C[NH2+][C@H]1CCCN(C(=O)c2n[nH]c3c2C[NH2+]CC3)C1 ZINC000832554725 583029884 /nfs/dbraw/zinc/02/98/84/583029884.db2.gz RAVVPAAZMZPYJB-VIFPVBQESA-N 2 2 263.345 -0.121 20 0 CBADLP Cc1ccc(NC(=O)C(=O)N2CC[NH2+]CC2)c(N(C)C)[nH+]1 ZINC000841145869 583168689 /nfs/dbraw/zinc/16/86/89/583168689.db2.gz XFYVFXZJEFXRGR-UHFFFAOYSA-N 2 2 291.355 -0.174 20 0 CBADLP C[N@@H+]1CCN(C(=O)NC[C@H]2COC(C)(C)O2)[C@H](C[NH3+])C1 ZINC000841876033 583175613 /nfs/dbraw/zinc/17/56/13/583175613.db2.gz QCLYTXAZHZNQSN-MNOVXSKESA-N 2 2 286.376 -0.578 20 0 CBADLP C[N@H+]1CCN(C(=O)NC[C@H]2COC(C)(C)O2)[C@H](C[NH3+])C1 ZINC000841876033 583175614 /nfs/dbraw/zinc/17/56/14/583175614.db2.gz QCLYTXAZHZNQSN-MNOVXSKESA-N 2 2 286.376 -0.578 20 0 CBADLP CN(C(=O)c1n[nH]c2c1C[NH2+]CC2)[C@@H](C[NH3+])C1CC1 ZINC000842509590 583184735 /nfs/dbraw/zinc/18/47/35/583184735.db2.gz GHQWBILONXXXBZ-NSHDSACASA-N 2 2 263.345 -0.135 20 0 CBADLP CON(C)C(=O)CC[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000843089742 583201028 /nfs/dbraw/zinc/20/10/28/583201028.db2.gz RYYDGULHZWXUNW-LBPRGKRZSA-N 2 2 273.377 -0.167 20 0 CBADLP CON(C)C(=O)CC[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000843089742 583201030 /nfs/dbraw/zinc/20/10/30/583201030.db2.gz RYYDGULHZWXUNW-LBPRGKRZSA-N 2 2 273.377 -0.167 20 0 CBADLP CNC(=O)[C@@H](O)C[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000843111544 583203152 /nfs/dbraw/zinc/20/31/52/583203152.db2.gz TZRSUFGNLZYNAC-KBPBESRZSA-N 2 2 295.383 -0.824 20 0 CBADLP CNC(=O)[C@@H](O)C[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000843111544 583203155 /nfs/dbraw/zinc/20/31/55/583203155.db2.gz TZRSUFGNLZYNAC-KBPBESRZSA-N 2 2 295.383 -0.824 20 0 CBADLP CCOC(=O)C1=C(C[N@@H+]2CC[C@@H](C[NH3+])C2)NC(=O)N[C@H]1C ZINC000843348433 583211658 /nfs/dbraw/zinc/21/16/58/583211658.db2.gz NPAFLFSVAOXEOD-UWVGGRQHSA-N 2 2 296.371 -0.215 20 0 CBADLP CCOC(=O)C1=C(C[N@H+]2CC[C@@H](C[NH3+])C2)NC(=O)N[C@H]1C ZINC000843348433 583211661 /nfs/dbraw/zinc/21/16/61/583211661.db2.gz NPAFLFSVAOXEOD-UWVGGRQHSA-N 2 2 296.371 -0.215 20 0 CBADLP CCOC(=O)C1=C(C[N@@H+]2CC[C@H](C[NH3+])C2)NC(=O)N[C@H]1C ZINC000843348434 583211750 /nfs/dbraw/zinc/21/17/50/583211750.db2.gz NPAFLFSVAOXEOD-VHSXEESVSA-N 2 2 296.371 -0.215 20 0 CBADLP CCOC(=O)C1=C(C[N@H+]2CC[C@H](C[NH3+])C2)NC(=O)N[C@H]1C ZINC000843348434 583211752 /nfs/dbraw/zinc/21/17/52/583211752.db2.gz NPAFLFSVAOXEOD-VHSXEESVSA-N 2 2 296.371 -0.215 20 0 CBADLP COCCS(=O)(=O)CCC[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000843348184 583211822 /nfs/dbraw/zinc/21/18/22/583211822.db2.gz BLRLSGBWRTYVGC-NSHDSACASA-N 2 2 264.391 -0.282 20 0 CBADLP COCCS(=O)(=O)CCC[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000843348184 583211825 /nfs/dbraw/zinc/21/18/25/583211825.db2.gz BLRLSGBWRTYVGC-NSHDSACASA-N 2 2 264.391 -0.282 20 0 CBADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CC(=O)N1CCNC(=O)C1 ZINC000843361265 583212550 /nfs/dbraw/zinc/21/25/50/583212550.db2.gz BXUNAMCFQBYZRF-YOGCLGLASA-N 2 2 280.372 -0.711 20 0 CBADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC(=O)N1CCNC(=O)C1 ZINC000843361265 583212554 /nfs/dbraw/zinc/21/25/54/583212554.db2.gz BXUNAMCFQBYZRF-YOGCLGLASA-N 2 2 280.372 -0.711 20 0 CBADLP CC[NH2+]CC(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000843490046 583227743 /nfs/dbraw/zinc/22/77/43/583227743.db2.gz WFYKDVWYRCKTLW-UHFFFAOYSA-N 2 2 265.361 -0.326 20 0 CBADLP COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000844139175 583254306 /nfs/dbraw/zinc/25/43/06/583254306.db2.gz MKUODDUJVVGDNI-IJLUTSLNSA-N 2 2 294.355 -0.119 20 0 CBADLP COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000844139175 583254309 /nfs/dbraw/zinc/25/43/09/583254309.db2.gz MKUODDUJVVGDNI-IJLUTSLNSA-N 2 2 294.355 -0.119 20 0 CBADLP O=C(CO[C@@H]1CCC[NH2+]C1)NCCn1cc[nH+]c1 ZINC000844165670 583255189 /nfs/dbraw/zinc/25/51/89/583255189.db2.gz MRCFSCNWNHMLPN-LLVKDONJSA-N 2 2 252.318 -0.232 20 0 CBADLP CC(C)(CNC(=O)CO[C@@H]1CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000844166643 583255653 /nfs/dbraw/zinc/25/56/53/583255653.db2.gz OWCMKSXKGKZOAN-CYBMUJFWSA-N 2 2 299.415 -0.018 20 0 CBADLP O=C(NCc1ccc(-n2cc[nH+]c2)nc1)[C@@H]1C[NH2+]CCO1 ZINC000844168352 583255723 /nfs/dbraw/zinc/25/57/23/583255723.db2.gz VXUKYBLXYFSPKL-LBPRGKRZSA-N 2 2 287.323 -0.128 20 0 CBADLP CC[NH2+]CC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000844176572 583257332 /nfs/dbraw/zinc/25/73/32/583257332.db2.gz RISPQHAZBOYPOM-GFCCVEGCSA-N 2 2 255.362 -0.081 20 0 CBADLP Cn1cc[nH+]c1CNC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000844183133 583259030 /nfs/dbraw/zinc/25/90/30/583259030.db2.gz TXMOFSIKCNJVOS-SNVBAGLBSA-N 2 2 252.318 -0.195 20 0 CBADLP C[NH+](C)CCN1CC[N@H+](CCC(=O)N2CCCC2)CC1=O ZINC000844379485 583269551 /nfs/dbraw/zinc/26/95/51/583269551.db2.gz FHFUYDTZEUTOTM-UHFFFAOYSA-N 2 2 296.415 -0.295 20 0 CBADLP C[NH+](C)CCN1CC[N@@H+](CCC(=O)N2CCCC2)CC1=O ZINC000844379485 583269554 /nfs/dbraw/zinc/26/95/54/583269554.db2.gz FHFUYDTZEUTOTM-UHFFFAOYSA-N 2 2 296.415 -0.295 20 0 CBADLP C[C@H](CC(=O)N1CCC[N@H+](CC(N)=O)CC1)n1cc[nH+]c1 ZINC000845435956 583307260 /nfs/dbraw/zinc/30/72/60/583307260.db2.gz XOHNFBCNDISVHT-GFCCVEGCSA-N 2 2 293.371 -0.146 20 0 CBADLP C[C@H](CC(=O)N1CCC[N@@H+](CC(N)=O)CC1)n1cc[nH+]c1 ZINC000845435956 583307263 /nfs/dbraw/zinc/30/72/63/583307263.db2.gz XOHNFBCNDISVHT-GFCCVEGCSA-N 2 2 293.371 -0.146 20 0 CBADLP CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)[C@H]1CCCCNC1=O ZINC000846668949 583381740 /nfs/dbraw/zinc/38/17/40/583381740.db2.gz CRQBBZJMYPDWCO-MNOVXSKESA-N 2 2 270.377 -0.608 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCNC(=O)C1(C)C ZINC000846669626 583381838 /nfs/dbraw/zinc/38/18/38/583381838.db2.gz HYHPTPSKQNWKBH-VIFPVBQESA-N 2 2 256.350 -0.998 20 0 CBADLP COC(=O)C[C@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)C1CC1 ZINC000846671645 583382055 /nfs/dbraw/zinc/38/20/55/583382055.db2.gz DNQGFVUIAABQAM-MNOVXSKESA-N 2 2 271.361 -0.277 20 0 CBADLP COC(=O)C[C@@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C1CC1 ZINC000846671647 583382100 /nfs/dbraw/zinc/38/21/00/583382100.db2.gz DNQGFVUIAABQAM-WDEREUQCSA-N 2 2 271.361 -0.277 20 0 CBADLP COCCOCC[NH+]1CCN(C(=O)C[C@H]([NH3+])C2CC2)CC1 ZINC000846700409 583384628 /nfs/dbraw/zinc/38/46/28/583384628.db2.gz CPJNZNLEBWMNEO-AWEZNQCLSA-N 2 2 299.415 -0.079 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC2(CNC(=O)O2)CC1 ZINC000846869078 583390462 /nfs/dbraw/zinc/39/04/62/583390462.db2.gz SNXZCDVHQCGRKA-NSHDSACASA-N 2 2 271.361 -0.127 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC2(CNC(=O)O2)CC1 ZINC000846869078 583390465 /nfs/dbraw/zinc/39/04/65/583390465.db2.gz SNXZCDVHQCGRKA-NSHDSACASA-N 2 2 271.361 -0.127 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC2(CNC(=O)O2)CC1 ZINC000846869075 583390583 /nfs/dbraw/zinc/39/05/83/583390583.db2.gz SNXZCDVHQCGRKA-LLVKDONJSA-N 2 2 271.361 -0.127 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC2(CNC(=O)O2)CC1 ZINC000846869075 583390588 /nfs/dbraw/zinc/39/05/88/583390588.db2.gz SNXZCDVHQCGRKA-LLVKDONJSA-N 2 2 271.361 -0.127 20 0 CBADLP C[C@@H]1CN(C(=O)C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)CCO1 ZINC000846876991 583390958 /nfs/dbraw/zinc/39/09/58/583390958.db2.gz CNSXFIOGRXCTJT-GFCCVEGCSA-N 2 2 293.371 -0.221 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1C[C@H]2[C@H](C(=O)OC)[C@H]2C1 ZINC000846919934 583392683 /nfs/dbraw/zinc/39/26/83/583392683.db2.gz SXFMUPFCFKQGLO-WYUUTHIRSA-N 2 2 256.346 -0.350 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@H]2[C@H](C(=O)OC)[C@H]2C1 ZINC000846919934 583392684 /nfs/dbraw/zinc/39/26/84/583392684.db2.gz SXFMUPFCFKQGLO-WYUUTHIRSA-N 2 2 256.346 -0.350 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@H+]1C[C@H]2[C@H](C(=O)OC)[C@H]2C1 ZINC000846919934 583392686 /nfs/dbraw/zinc/39/26/86/583392686.db2.gz SXFMUPFCFKQGLO-WYUUTHIRSA-N 2 2 256.346 -0.350 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@H]2[C@H](C(=O)OC)[C@H]2C1 ZINC000846919934 583392687 /nfs/dbraw/zinc/39/26/87/583392687.db2.gz SXFMUPFCFKQGLO-WYUUTHIRSA-N 2 2 256.346 -0.350 20 0 CBADLP CN1C[C@@H]([N@H+](C)C[C@H](O)C[NH+]2CCCC2)CCC1=O ZINC000846920708 583392789 /nfs/dbraw/zinc/39/27/89/583392789.db2.gz JKWRAXJTXNDBPW-STQMWFEESA-N 2 2 269.389 -0.004 20 0 CBADLP CN1C[C@@H]([N@@H+](C)C[C@H](O)C[NH+]2CCCC2)CCC1=O ZINC000846920708 583392791 /nfs/dbraw/zinc/39/27/91/583392791.db2.gz JKWRAXJTXNDBPW-STQMWFEESA-N 2 2 269.389 -0.004 20 0 CBADLP CN1C[C@H]([N@H+](C)C[C@H](O)C[NH+]2CCCC2)CCC1=O ZINC000846920704 583392912 /nfs/dbraw/zinc/39/29/12/583392912.db2.gz JKWRAXJTXNDBPW-OLZOCXBDSA-N 2 2 269.389 -0.004 20 0 CBADLP CN1C[C@H]([N@@H+](C)C[C@H](O)C[NH+]2CCCC2)CCC1=O ZINC000846920704 583392915 /nfs/dbraw/zinc/39/29/15/583392915.db2.gz JKWRAXJTXNDBPW-OLZOCXBDSA-N 2 2 269.389 -0.004 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000847010252 583396759 /nfs/dbraw/zinc/39/67/59/583396759.db2.gz LMLCTMRKHRGYII-WOPDTQHZSA-N 2 2 271.361 -0.271 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000847010252 583396760 /nfs/dbraw/zinc/39/67/60/583396760.db2.gz LMLCTMRKHRGYII-WOPDTQHZSA-N 2 2 271.361 -0.271 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000847010252 583396762 /nfs/dbraw/zinc/39/67/62/583396762.db2.gz LMLCTMRKHRGYII-WOPDTQHZSA-N 2 2 271.361 -0.271 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000847010252 583396763 /nfs/dbraw/zinc/39/67/63/583396763.db2.gz LMLCTMRKHRGYII-WOPDTQHZSA-N 2 2 271.361 -0.271 20 0 CBADLP C[C@@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)[NH+](C)C ZINC000848996516 583465519 /nfs/dbraw/zinc/46/55/19/583465519.db2.gz AIUDVVHVWVBVEN-LBPRGKRZSA-N 3 2 271.409 -0.227 20 0 CBADLP Cc1[nH+]cc(C[NH2+]C[C@@H]2CC(C(N)=O)=NO2)n1C ZINC000850279402 583499069 /nfs/dbraw/zinc/49/90/69/583499069.db2.gz UUURLTOHCYNZHM-VIFPVBQESA-N 2 2 251.290 -0.552 20 0 CBADLP C[NH+](C)CC(=O)N1CC[NH+](C[C@@H]2CCC(=O)O2)CC1 ZINC000851726355 583523865 /nfs/dbraw/zinc/52/38/65/583523865.db2.gz OSUWOUXKZPHSEO-NSHDSACASA-N 2 2 269.345 -0.602 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC3=C(CCC(=O)N3)C2)CC1 ZINC000852300757 583542505 /nfs/dbraw/zinc/54/25/05/583542505.db2.gz VYHMUKNYJJIPPO-UHFFFAOYSA-N 2 2 292.383 -0.370 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC3=C(CCC(=O)N3)C2)CC1 ZINC000852300757 583542506 /nfs/dbraw/zinc/54/25/06/583542506.db2.gz VYHMUKNYJJIPPO-UHFFFAOYSA-N 2 2 292.383 -0.370 20 0 CBADLP O=C1OCCN1[C@H]1CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000852433851 583545662 /nfs/dbraw/zinc/54/56/62/583545662.db2.gz XSOKJEYJUUSQIL-STQMWFEESA-N 2 2 283.372 -0.030 20 0 CBADLP O=C1OCCN1[C@H]1CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000852433851 583545664 /nfs/dbraw/zinc/54/56/64/583545664.db2.gz XSOKJEYJUUSQIL-STQMWFEESA-N 2 2 283.372 -0.030 20 0 CBADLP O=C1OCCN1[C@H]1CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000852433849 583545841 /nfs/dbraw/zinc/54/58/41/583545841.db2.gz XSOKJEYJUUSQIL-QWHCGFSZSA-N 2 2 283.372 -0.030 20 0 CBADLP O=C1OCCN1[C@H]1CC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000852433849 583545842 /nfs/dbraw/zinc/54/58/42/583545842.db2.gz XSOKJEYJUUSQIL-QWHCGFSZSA-N 2 2 283.372 -0.030 20 0 CBADLP CN1CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)CCC1=O ZINC000852578874 583549137 /nfs/dbraw/zinc/54/91/37/583549137.db2.gz BVHUWBCHICSTDJ-LBPRGKRZSA-N 2 2 255.362 -0.393 20 0 CBADLP CN1CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)CCC1=O ZINC000852578874 583549141 /nfs/dbraw/zinc/54/91/41/583549141.db2.gz BVHUWBCHICSTDJ-LBPRGKRZSA-N 2 2 255.362 -0.393 20 0 CBADLP O=C1OCCN1CC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000852710787 583550847 /nfs/dbraw/zinc/55/08/47/583550847.db2.gz WLDDECFKYQWYIV-CYBMUJFWSA-N 2 2 283.372 -0.030 20 0 CBADLP O=C1OCCN1CC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000852710787 583550848 /nfs/dbraw/zinc/55/08/48/583550848.db2.gz WLDDECFKYQWYIV-CYBMUJFWSA-N 2 2 283.372 -0.030 20 0 CBADLP COc1cc[nH+]c(CN(CC[NH3+])CCO)c1OC ZINC000852747014 583551402 /nfs/dbraw/zinc/55/14/02/583551402.db2.gz UKRSPLIGGHVAAI-UHFFFAOYSA-N 2 2 255.318 -0.148 20 0 CBADLP O=C1OCCN1[C@@H]1CC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000852755188 583551917 /nfs/dbraw/zinc/55/19/17/583551917.db2.gz GRSANFXYLQRNDR-MNOVXSKESA-N 2 2 255.318 -0.499 20 0 CBADLP O=C1OCCN1[C@@H]1CC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000852755188 583551919 /nfs/dbraw/zinc/55/19/19/583551919.db2.gz GRSANFXYLQRNDR-MNOVXSKESA-N 2 2 255.318 -0.499 20 0 CBADLP C[NH+](C)CCC[C@@H]1C[N@H+](CCS(N)(=O)=O)CCO1 ZINC000852760147 583552037 /nfs/dbraw/zinc/55/20/37/583552037.db2.gz BGUNLUFQCUUDMV-LLVKDONJSA-N 2 2 279.406 -0.683 20 0 CBADLP C[NH+](C)CCC[C@@H]1C[N@@H+](CCS(N)(=O)=O)CCO1 ZINC000852760147 583552039 /nfs/dbraw/zinc/55/20/39/583552039.db2.gz BGUNLUFQCUUDMV-LLVKDONJSA-N 2 2 279.406 -0.683 20 0 CBADLP C[N@@H+]1CCN(C(=O)C=C2CC[NH2+]CC2)[C@H](C[NH3+])C1 ZINC000852798257 583553344 /nfs/dbraw/zinc/55/33/44/583553344.db2.gz HSUPODPVHZWNQT-GFCCVEGCSA-N 3 2 252.362 -0.603 20 0 CBADLP C[N@H+]1CCN(C(=O)C=C2CC[NH2+]CC2)[C@H](C[NH3+])C1 ZINC000852798257 583553346 /nfs/dbraw/zinc/55/33/46/583553346.db2.gz HSUPODPVHZWNQT-GFCCVEGCSA-N 3 2 252.362 -0.603 20 0 CBADLP CN(C)c1[nH+]cccc1CNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852859644 583562160 /nfs/dbraw/zinc/56/21/60/583562160.db2.gz YCQJYBNNDRTKFI-JTQLQIEISA-N 2 2 277.328 -0.133 20 0 CBADLP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C1(O)C[NH2+]C1 ZINC000852862322 583562902 /nfs/dbraw/zinc/56/29/02/583562902.db2.gz ZROOWRFCCDVPPS-UHFFFAOYSA-N 2 2 287.323 -0.474 20 0 CBADLP C[C@H](NC(=O)C1=NO[C@H](C[NH3+])C1)[C@H](C)[NH+]1CCOCC1 ZINC000852867366 583564387 /nfs/dbraw/zinc/56/43/87/583564387.db2.gz UYXQCPGZVFKAPC-DCAQKATOSA-N 2 2 284.360 -0.685 20 0 CBADLP C[NH+](C)C1CC[NH+](CCNC(=O)C2=NO[C@H](C[NH3+])C2)CC1 ZINC000852870295 583564787 /nfs/dbraw/zinc/56/47/87/583564787.db2.gz RIJHXYDCPIUZOH-LBPRGKRZSA-N 3 2 297.403 -0.768 20 0 CBADLP C[NH+](C)C1CC[NH+](CCNC(=O)C2=NO[C@@H](C[NH3+])C2)CC1 ZINC000852870294 583564938 /nfs/dbraw/zinc/56/49/38/583564938.db2.gz RIJHXYDCPIUZOH-GFCCVEGCSA-N 3 2 297.403 -0.768 20 0 CBADLP COC(=O)[C@]1(F)CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000852897788 583571839 /nfs/dbraw/zinc/57/18/39/583571839.db2.gz MWOPYFIDARHFSC-CABZTGNLSA-N 2 2 275.324 -0.621 20 0 CBADLP O=C(C=C1CC[NH2+]CC1)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000852914071 583574041 /nfs/dbraw/zinc/57/40/41/583574041.db2.gz MABBAXQHQGCMIF-CQSZACIVSA-N 2 2 278.400 -0.198 20 0 CBADLP O=C(C=C1CC[NH2+]CC1)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000852914071 583574042 /nfs/dbraw/zinc/57/40/42/583574042.db2.gz MABBAXQHQGCMIF-CQSZACIVSA-N 2 2 278.400 -0.198 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)N(C)CC2C[NH+](C)C2)CCO1 ZINC000853605573 583586844 /nfs/dbraw/zinc/58/68/44/583586844.db2.gz MRYFEICTDBBPRP-LBPRGKRZSA-N 2 2 284.404 -0.090 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)N(C)CC2C[NH+](C)C2)CCO1 ZINC000853605573 583586845 /nfs/dbraw/zinc/58/68/45/583586845.db2.gz MRYFEICTDBBPRP-LBPRGKRZSA-N 2 2 284.404 -0.090 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCC[S@](C)=O ZINC000853784795 583589951 /nfs/dbraw/zinc/58/99/51/583589951.db2.gz YNPKMNHZLXJSLU-IBGZPJMESA-N 2 2 292.449 -0.452 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCC[S@](C)=O ZINC000853784795 583589952 /nfs/dbraw/zinc/58/99/52/583589952.db2.gz YNPKMNHZLXJSLU-IBGZPJMESA-N 2 2 292.449 -0.452 20 0 CBADLP O=C(CC[NH+]1CCOCC1)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000854353754 583600014 /nfs/dbraw/zinc/60/00/14/583600014.db2.gz FFPCVZWNGCYQRY-AWEZNQCLSA-N 2 2 296.415 -0.785 20 0 CBADLP O=C(CC[NH+]1CCOCC1)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000854353754 583600016 /nfs/dbraw/zinc/60/00/16/583600016.db2.gz FFPCVZWNGCYQRY-AWEZNQCLSA-N 2 2 296.415 -0.785 20 0 CBADLP O=C(CC[NH+]1CCOCC1)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000854353754 583600018 /nfs/dbraw/zinc/60/00/18/583600018.db2.gz FFPCVZWNGCYQRY-AWEZNQCLSA-N 2 2 296.415 -0.785 20 0 CBADLP O=C(CC[NH+]1CCOCC1)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000854353754 583600020 /nfs/dbraw/zinc/60/00/20/583600020.db2.gz FFPCVZWNGCYQRY-AWEZNQCLSA-N 2 2 296.415 -0.785 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C1(O)CCOCC1 ZINC000855414904 583638625 /nfs/dbraw/zinc/63/86/25/583638625.db2.gz MQGWVAKKNVRARM-UHFFFAOYSA-N 2 2 287.404 -0.472 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C1(O)CCOCC1 ZINC000855414904 583638627 /nfs/dbraw/zinc/63/86/27/583638627.db2.gz MQGWVAKKNVRARM-UHFFFAOYSA-N 2 2 287.404 -0.472 20 0 CBADLP Cc1nonc1CC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000855418298 583638877 /nfs/dbraw/zinc/63/88/77/583638877.db2.gz YVBKZLFNEOJOFC-UHFFFAOYSA-N 2 2 283.376 -0.080 20 0 CBADLP Cc1nonc1CC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000855418298 583638880 /nfs/dbraw/zinc/63/88/80/583638880.db2.gz YVBKZLFNEOJOFC-UHFFFAOYSA-N 2 2 283.376 -0.080 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C[C@H]1CCC(=O)N1 ZINC000855416953 583638975 /nfs/dbraw/zinc/63/89/75/583638975.db2.gz RAPWLHDITDUDGO-GFCCVEGCSA-N 2 2 284.404 -0.345 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C[C@H]1CCC(=O)N1 ZINC000855416953 583638978 /nfs/dbraw/zinc/63/89/78/583638978.db2.gz RAPWLHDITDUDGO-GFCCVEGCSA-N 2 2 284.404 -0.345 20 0 CBADLP O=C(N[C@@H]1CCn2c[nH+]cc2C1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000857948932 583685341 /nfs/dbraw/zinc/68/53/41/583685341.db2.gz UCTCLMRHEGZFPX-OCCSQVGLSA-N 2 2 289.383 -0.296 20 0 CBADLP O=C(N[C@@H]1CCn2c[nH+]cc2C1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000857948932 583685342 /nfs/dbraw/zinc/68/53/42/583685342.db2.gz UCTCLMRHEGZFPX-OCCSQVGLSA-N 2 2 289.383 -0.296 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCn3c[nH+]cc32)C1 ZINC000857982444 583685947 /nfs/dbraw/zinc/68/59/47/583685947.db2.gz IRLWOIYBDOZZQZ-GXSJLCMTSA-N 2 2 250.302 -0.225 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCn3c[nH+]cc32)C1 ZINC000857982444 583685949 /nfs/dbraw/zinc/68/59/49/583685949.db2.gz IRLWOIYBDOZZQZ-GXSJLCMTSA-N 2 2 250.302 -0.225 20 0 CBADLP NC(=O)COc1ccc(C[NH2+]CC[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000858297543 583690823 /nfs/dbraw/zinc/69/08/23/583690823.db2.gz FJXQGMJAIAWNOW-CYBMUJFWSA-N 2 2 293.367 -0.293 20 0 CBADLP NC(=O)COc1ccc(C[NH2+]CC[N@H+]2CC[C@@H](O)C2)cc1 ZINC000858297543 583690826 /nfs/dbraw/zinc/69/08/26/583690826.db2.gz FJXQGMJAIAWNOW-CYBMUJFWSA-N 2 2 293.367 -0.293 20 0 CBADLP NC(=O)COc1ccc(C[NH2+]CC[N@@H+]2CC[C@H](O)C2)cc1 ZINC000858338323 583691844 /nfs/dbraw/zinc/69/18/44/583691844.db2.gz FJXQGMJAIAWNOW-ZDUSSCGKSA-N 2 2 293.367 -0.293 20 0 CBADLP NC(=O)COc1ccc(C[NH2+]CC[N@H+]2CC[C@H](O)C2)cc1 ZINC000858338323 583691846 /nfs/dbraw/zinc/69/18/46/583691846.db2.gz FJXQGMJAIAWNOW-ZDUSSCGKSA-N 2 2 293.367 -0.293 20 0 CBADLP CN(C[C@H](O)C[NH+]1CCOCC1)c1cc[nH+]c(CO)c1 ZINC000858438588 583695131 /nfs/dbraw/zinc/69/51/31/583695131.db2.gz DHYHFYJRMKQZHG-AWEZNQCLSA-N 2 2 281.356 -0.297 20 0 CBADLP Cn1c[nH+]cc1CNC(=O)NCCOCCC[NH3+] ZINC000861633888 583773524 /nfs/dbraw/zinc/77/35/24/583773524.db2.gz WUPBVQKNUUDWHJ-UHFFFAOYSA-N 2 2 255.322 -0.415 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000861646524 583775167 /nfs/dbraw/zinc/77/51/67/583775167.db2.gz RNRQWQQUSNOORY-UWVGGRQHSA-N 2 2 292.330 -0.387 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000861646524 583775170 /nfs/dbraw/zinc/77/51/70/583775170.db2.gz RNRQWQQUSNOORY-UWVGGRQHSA-N 2 2 292.330 -0.387 20 0 CBADLP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000861756154 583784530 /nfs/dbraw/zinc/78/45/30/583784530.db2.gz UCUHEHMBYQNPGC-SNVBAGLBSA-N 2 2 293.371 -0.431 20 0 CBADLP C[NH+](C)CCNC(=S)NC[C@@H]1COCC[N@@H+]1C ZINC000863226355 583834814 /nfs/dbraw/zinc/83/48/14/583834814.db2.gz BMKIYWUNDBOGFC-SNVBAGLBSA-N 2 2 260.407 -0.657 20 0 CBADLP C[NH+](C)CCNC(=S)NC[C@@H]1COCC[N@H+]1C ZINC000863226355 583834815 /nfs/dbraw/zinc/83/48/15/583834815.db2.gz BMKIYWUNDBOGFC-SNVBAGLBSA-N 2 2 260.407 -0.657 20 0 CBADLP O=S(=O)(CC[NH2+]C[C@@H](O)C[NH+]1CCCC1)CC1CC1 ZINC000863551348 583846334 /nfs/dbraw/zinc/84/63/34/583846334.db2.gz JKQOATXDFAHOBA-CYBMUJFWSA-N 2 2 290.429 -0.143 20 0 CBADLP O=S(=O)(CC[NH2+]C[C@H](O)C[NH+]1CCCC1)CC1CC1 ZINC000863551350 583846458 /nfs/dbraw/zinc/84/64/58/583846458.db2.gz JKQOATXDFAHOBA-ZDUSSCGKSA-N 2 2 290.429 -0.143 20 0 CBADLP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000863759252 583853921 /nfs/dbraw/zinc/85/39/21/583853921.db2.gz PIUJABULJNOYJT-JTQLQIEISA-N 2 2 293.371 -0.079 20 0 CBADLP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000863759252 583853922 /nfs/dbraw/zinc/85/39/22/583853922.db2.gz PIUJABULJNOYJT-JTQLQIEISA-N 2 2 293.371 -0.079 20 0 CBADLP C[N@@H+]1CCN(C(=O)[C@@H]2CC[NH+]2C(C)(C)C)C[C@H]1CO ZINC000864077212 583871274 /nfs/dbraw/zinc/87/12/74/583871274.db2.gz CQXIHTPOSPGJDE-RYUDHWBXSA-N 2 2 269.389 -0.006 20 0 CBADLP C[N@H+]1CCN(C(=O)[C@@H]2CC[NH+]2C(C)(C)C)C[C@H]1CO ZINC000864077212 583871275 /nfs/dbraw/zinc/87/12/75/583871275.db2.gz CQXIHTPOSPGJDE-RYUDHWBXSA-N 2 2 269.389 -0.006 20 0 CBADLP C[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)C[C@H]1CO ZINC000864077212 583871277 /nfs/dbraw/zinc/87/12/77/583871277.db2.gz CQXIHTPOSPGJDE-RYUDHWBXSA-N 2 2 269.389 -0.006 20 0 CBADLP C[NH+]1CCN(C(=O)[C@@H]2CC[N@H+]2C(C)(C)C)C[C@H]1CO ZINC000864077212 583871278 /nfs/dbraw/zinc/87/12/78/583871278.db2.gz CQXIHTPOSPGJDE-RYUDHWBXSA-N 2 2 269.389 -0.006 20 0 CBADLP C[C@@H](CNC(=O)/C=C\C[NH+]1CCOCC1)[NH+](C)C ZINC000864827256 583890199 /nfs/dbraw/zinc/89/01/99/583890199.db2.gz FGLRMMAZBSVJQD-RXNFCKPNSA-N 2 2 255.362 -0.059 20 0 CBADLP COCC[N@H+](C)CCNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000865123356 583897180 /nfs/dbraw/zinc/89/71/80/583897180.db2.gz KJVFIMGRKDLWDO-ARJAWSKDSA-N 2 2 285.388 -0.431 20 0 CBADLP COCC[N@@H+](C)CCNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000865123356 583897181 /nfs/dbraw/zinc/89/71/81/583897181.db2.gz KJVFIMGRKDLWDO-ARJAWSKDSA-N 2 2 285.388 -0.431 20 0 CBADLP O=C([C@H](O)c1c[nH+]c[nH]1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000865198776 583900749 /nfs/dbraw/zinc/90/07/49/583900749.db2.gz MIJLFWLZNQBACW-YNEHKIRRSA-N 2 2 294.355 -0.499 20 0 CBADLP COCC[N@@H+]1CC[C@H](NC(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000865583786 583906121 /nfs/dbraw/zinc/90/61/21/583906121.db2.gz VWLFRCPYGFPNOH-SFAKSCPVSA-N 2 2 297.399 -0.288 20 0 CBADLP COCC[N@H+]1CC[C@H](NC(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000865583786 583906123 /nfs/dbraw/zinc/90/61/23/583906123.db2.gz VWLFRCPYGFPNOH-SFAKSCPVSA-N 2 2 297.399 -0.288 20 0 CBADLP COCC[NH+]1CCN(C(=O)/C=C\C[NH+]2CCOCC2)CC1 ZINC000865787481 583909314 /nfs/dbraw/zinc/90/93/14/583909314.db2.gz NXKWLCALNRLQRX-IHWYPQMZSA-N 2 2 297.399 -0.335 20 0 CBADLP NC(=O)c1ccc(CC[N@H+](CC[NH3+])CCO)cc1 ZINC000866660750 583926216 /nfs/dbraw/zinc/92/62/16/583926216.db2.gz KVMIJBVLNDQHGJ-UHFFFAOYSA-N 2 2 251.330 -0.419 20 0 CBADLP NC(=O)c1ccc(CC[N@@H+](CC[NH3+])CCO)cc1 ZINC000866660750 583926217 /nfs/dbraw/zinc/92/62/17/583926217.db2.gz KVMIJBVLNDQHGJ-UHFFFAOYSA-N 2 2 251.330 -0.419 20 0 CBADLP O=C1NCCO[C@@H]2CCC[N@H+](C[C@H]3CC[NH2+]C3)[C@@H]12 ZINC000866717944 583928685 /nfs/dbraw/zinc/92/86/85/583928685.db2.gz USFSIKVHJSKKBQ-QJPTWQEYSA-N 2 2 253.346 -0.425 20 0 CBADLP O=C1NCCO[C@@H]2CCC[N@@H+](C[C@H]3CC[NH2+]C3)[C@@H]12 ZINC000866717944 583928687 /nfs/dbraw/zinc/92/86/87/583928687.db2.gz USFSIKVHJSKKBQ-QJPTWQEYSA-N 2 2 253.346 -0.425 20 0 CBADLP C[NH+](C)CCCS(=O)(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000866765139 583931608 /nfs/dbraw/zinc/93/16/08/583931608.db2.gz TZYCPPXOMDSHNV-SECBINFHSA-N 2 2 285.360 -0.193 20 0 CBADLP C[C@H](NC(=O)/C=C\C[NH+]1CCOCC1)[C@H]1C[N@H+](C)CCO1 ZINC000866800704 583933310 /nfs/dbraw/zinc/93/33/10/583933310.db2.gz YDIXCDMRDMLUIC-KBIGUFJUSA-N 2 2 297.399 -0.290 20 0 CBADLP C[C@H](NC(=O)/C=C\C[NH+]1CCOCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000866800704 583933312 /nfs/dbraw/zinc/93/33/12/583933312.db2.gz YDIXCDMRDMLUIC-KBIGUFJUSA-N 2 2 297.399 -0.290 20 0 CBADLP CC1(C)CN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)CC[N@@H+]1CCO ZINC000867648513 583959331 /nfs/dbraw/zinc/95/93/31/583959331.db2.gz CZJYWMHESDLBRK-NSHDSACASA-N 2 2 282.344 -0.642 20 0 CBADLP CC1(C)CN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)CC[N@H+]1CCO ZINC000867648513 583959332 /nfs/dbraw/zinc/95/93/32/583959332.db2.gz CZJYWMHESDLBRK-NSHDSACASA-N 2 2 282.344 -0.642 20 0 CBADLP C[NH+](C)C[C@]1(O)CCCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)C1 ZINC000867848078 583965078 /nfs/dbraw/zinc/96/50/78/583965078.db2.gz KUOUJGZCQQUJKG-DGCLKSJQSA-N 2 2 282.344 -0.642 20 0 CBADLP C[N@@H+]1CCn2nc(NC(=O)N[C@@H]3CC[NH2+]C3)cc2C1 ZINC000868205492 583972772 /nfs/dbraw/zinc/97/27/72/583972772.db2.gz NHDLNSAKUZSGGR-SECBINFHSA-N 2 2 264.333 -0.188 20 0 CBADLP C[N@H+]1CCn2nc(NC(=O)N[C@@H]3CC[NH2+]C3)cc2C1 ZINC000868205492 583972774 /nfs/dbraw/zinc/97/27/74/583972774.db2.gz NHDLNSAKUZSGGR-SECBINFHSA-N 2 2 264.333 -0.188 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC000868417035 583978799 /nfs/dbraw/zinc/97/87/99/583978799.db2.gz ACUSMZVKBBKXKE-QWHCGFSZSA-N 2 2 294.399 -0.497 20 0 CBADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000868587256 583982475 /nfs/dbraw/zinc/98/24/75/583982475.db2.gz XXYMMNXYEGAFFV-MWLCHTKSSA-N 2 2 252.318 -0.004 20 0 CBADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000868587256 583982477 /nfs/dbraw/zinc/98/24/77/583982477.db2.gz XXYMMNXYEGAFFV-MWLCHTKSSA-N 2 2 252.318 -0.004 20 0 CBADLP CC[C@H]1C[N@H+](C)CCN1C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000868587257 583982497 /nfs/dbraw/zinc/98/24/97/583982497.db2.gz XXYMMNXYEGAFFV-ONGXEEELSA-N 2 2 252.318 -0.004 20 0 CBADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000868587257 583982498 /nfs/dbraw/zinc/98/24/98/583982498.db2.gz XXYMMNXYEGAFFV-ONGXEEELSA-N 2 2 252.318 -0.004 20 0 CBADLP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](O)c3c[nH+]c[nH]3)C[C@@H]21 ZINC000868717342 583984610 /nfs/dbraw/zinc/98/46/10/583984610.db2.gz OPBNTXLXEQSTFI-MIMYLULJSA-N 2 2 250.302 -0.394 20 0 CBADLP C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](O)c3c[nH+]c[nH]3)C[C@@H]21 ZINC000868717342 583984612 /nfs/dbraw/zinc/98/46/12/583984612.db2.gz OPBNTXLXEQSTFI-MIMYLULJSA-N 2 2 250.302 -0.394 20 0 CBADLP O=C(/C=C/C[NH+]1CCOCC1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000869149688 583994176 /nfs/dbraw/zinc/99/41/76/583994176.db2.gz SOFUGMWMRBFLEB-VSZDKKFSSA-N 2 2 295.383 -0.848 20 0 CBADLP O=C(/C=C/C[NH+]1CCOCC1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000869149688 583994178 /nfs/dbraw/zinc/99/41/78/583994178.db2.gz SOFUGMWMRBFLEB-VSZDKKFSSA-N 2 2 295.383 -0.848 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000869779215 584004352 /nfs/dbraw/zinc/00/43/52/584004352.db2.gz VMFIWLWPHSOCRC-NSHDSACASA-N 2 2 280.372 -0.076 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000869779215 584004353 /nfs/dbraw/zinc/00/43/53/584004353.db2.gz VMFIWLWPHSOCRC-NSHDSACASA-N 2 2 280.372 -0.076 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC000870068299 584008815 /nfs/dbraw/zinc/00/88/15/584008815.db2.gz KPXNXJSRAMQDTQ-UONOGXRCSA-N 2 2 297.399 -0.360 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC000870068299 584008817 /nfs/dbraw/zinc/00/88/17/584008817.db2.gz KPXNXJSRAMQDTQ-UONOGXRCSA-N 2 2 297.399 -0.360 20 0 CBADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@H]2CC[C@@H]([NH3+])CC2)CC1 ZINC000870896033 584020938 /nfs/dbraw/zinc/02/09/38/584020938.db2.gz NXUPZZJVFTVUCI-TXEJJXNPSA-N 2 2 296.415 -0.088 20 0 CBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870909208 584021158 /nfs/dbraw/zinc/02/11/58/584021158.db2.gz CEFZRNZLVOGPJR-OSFYFWSMSA-N 2 2 297.399 -0.735 20 0 CBADLP CCO[C@@H]1COCC[C@@H]1CC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000870938403 584021922 /nfs/dbraw/zinc/02/19/22/584021922.db2.gz NTARPFMKKSVGLG-HZSPNIEDSA-N 2 2 299.415 -0.081 20 0 CBADLP CCO[C@@H]1COCC[C@@H]1CC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000870938403 584021924 /nfs/dbraw/zinc/02/19/24/584021924.db2.gz NTARPFMKKSVGLG-HZSPNIEDSA-N 2 2 299.415 -0.081 20 0 CBADLP C[N@@H+]1CCn2nc(NC(=O)[C@@]3(F)CC[NH2+]C3)cc2C1 ZINC000871011025 584025146 /nfs/dbraw/zinc/02/51/46/584025146.db2.gz MUQHQMZCSSZDNP-GFCCVEGCSA-N 2 2 267.308 -0.031 20 0 CBADLP C[N@H+]1CCn2nc(NC(=O)[C@@]3(F)CC[NH2+]C3)cc2C1 ZINC000871011025 584025148 /nfs/dbraw/zinc/02/51/48/584025148.db2.gz MUQHQMZCSSZDNP-GFCCVEGCSA-N 2 2 267.308 -0.031 20 0 CBADLP C[NH+](C)CC(=O)NC[C@@H]1CCCCN1C(=O)C[NH+](C)C ZINC000871466837 584037968 /nfs/dbraw/zinc/03/79/68/584037968.db2.gz ZMIBJASAEUNCER-LBPRGKRZSA-N 2 2 284.404 -0.393 20 0 CBADLP CCS(=O)(=O)NCCC[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872154258 584048048 /nfs/dbraw/zinc/04/80/48/584048048.db2.gz PLULGXONNUMQCV-NWDGAFQWSA-N 2 2 275.418 -0.143 20 0 CBADLP CCS(=O)(=O)NCCC[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872154258 584048050 /nfs/dbraw/zinc/04/80/50/584048050.db2.gz PLULGXONNUMQCV-NWDGAFQWSA-N 2 2 275.418 -0.143 20 0 CBADLP C[S@](=N)(=O)N1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000872146378 584048195 /nfs/dbraw/zinc/04/81/95/584048195.db2.gz MNYZEKLBCUUDCU-GOSISDBHSA-N 2 2 275.422 -0.899 20 0 CBADLP CN(Cc1c[nH+]c[nH]1)C(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872194021 584049017 /nfs/dbraw/zinc/04/90/17/584049017.db2.gz DVAKTIQCSBTOPA-IINYFYTJSA-N 2 2 291.355 -0.564 20 0 CBADLP CN(Cc1c[nH]c[nH+]1)C(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872194021 584049018 /nfs/dbraw/zinc/04/90/18/584049018.db2.gz DVAKTIQCSBTOPA-IINYFYTJSA-N 2 2 291.355 -0.564 20 0 CBADLP COCCOC[C@H](O)C[NH2+][C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000872218304 584050695 /nfs/dbraw/zinc/05/06/95/584050695.db2.gz MEFWSJYPQZFLAV-QWHCGFSZSA-N 2 2 290.404 -0.555 20 0 CBADLP COCCOC[C@H](O)C[NH2+][C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000872218304 584050697 /nfs/dbraw/zinc/05/06/97/584050697.db2.gz MEFWSJYPQZFLAV-QWHCGFSZSA-N 2 2 290.404 -0.555 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CC[NH2+]CCC1(C)C ZINC000872301895 584055002 /nfs/dbraw/zinc/05/50/02/584055002.db2.gz WRKIDFXURCORGN-NSHDSACASA-N 3 2 256.394 -0.134 20 0 CBADLP Nc1cnc(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cn1 ZINC000873209227 584068996 /nfs/dbraw/zinc/06/89/96/584068996.db2.gz IQDZZEPATLAAIF-LBPRGKRZSA-N 2 2 290.371 -0.545 20 0 CBADLP Nc1cnc(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cn1 ZINC000873209227 584068997 /nfs/dbraw/zinc/06/89/97/584068997.db2.gz IQDZZEPATLAAIF-LBPRGKRZSA-N 2 2 290.371 -0.545 20 0 CBADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@]12COC(=O)N1CCOC2 ZINC000873252082 584069083 /nfs/dbraw/zinc/06/90/83/584069083.db2.gz YKSRVSZFNGWQND-MDZLAQPJSA-N 2 2 269.345 -0.205 20 0 CBADLP Cn1cc(C[NH2+][C@]23CCC[C@@H]2[NH2+]CC3)c(=O)n(C)c1=O ZINC000873230185 584069088 /nfs/dbraw/zinc/06/90/88/584069088.db2.gz NGHXTNNYAVSRLT-FZMZJTMJSA-N 2 2 278.356 -0.542 20 0 CBADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@]12COC(=O)N1CCOC2 ZINC000873252095 584069119 /nfs/dbraw/zinc/06/91/19/584069119.db2.gz YKSRVSZFNGWQND-WZRBSPASSA-N 2 2 269.345 -0.205 20 0 CBADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@]12COCCN1C(=O)COC2 ZINC000873267224 584069789 /nfs/dbraw/zinc/06/97/89/584069789.db2.gz YDARECOULMNGQE-YRGRVCCFSA-N 2 2 283.372 -0.798 20 0 CBADLP C[C@@H]([NH2+]C[C@@]12COCCN1C(=O)COC2)[C@H]1CCCC[NH2+]1 ZINC000873266850 584069858 /nfs/dbraw/zinc/06/98/58/584069858.db2.gz RINWLKQMUMQAJY-NFAWXSAZSA-N 2 2 297.399 -0.266 20 0 CBADLP C[N@@H+]1CC[C@H](CC(=O)N2CCC[NH+](CC(N)=O)CC2)C1 ZINC000874351318 584081971 /nfs/dbraw/zinc/08/19/71/584081971.db2.gz FNFXDOAOOYJOST-GFCCVEGCSA-N 2 2 282.388 -0.652 20 0 CBADLP C[N@H+]1CC[C@H](CC(=O)N2CCC[NH+](CC(N)=O)CC2)C1 ZINC000874351318 584081973 /nfs/dbraw/zinc/08/19/73/584081973.db2.gz FNFXDOAOOYJOST-GFCCVEGCSA-N 2 2 282.388 -0.652 20 0 CBADLP C[NH+]1CC[C@H](CC(=O)N2CCC[N@H+](CC(N)=O)CC2)C1 ZINC000874351318 584081976 /nfs/dbraw/zinc/08/19/76/584081976.db2.gz FNFXDOAOOYJOST-GFCCVEGCSA-N 2 2 282.388 -0.652 20 0 CBADLP C[NH+]1CC[C@H](CC(=O)N2CCC[N@@H+](CC(N)=O)CC2)C1 ZINC000874351318 584081977 /nfs/dbraw/zinc/08/19/77/584081977.db2.gz FNFXDOAOOYJOST-GFCCVEGCSA-N 2 2 282.388 -0.652 20 0 CBADLP C[C@@H]1C[N@H+](CCO)CCN1C(=O)NCc1c[nH+]cn1C ZINC000876305117 584126616 /nfs/dbraw/zinc/12/66/16/584126616.db2.gz BVYAJGDLKYHMPD-LLVKDONJSA-N 2 2 281.360 -0.372 20 0 CBADLP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NCc1c[nH+]cn1C ZINC000876305117 584126617 /nfs/dbraw/zinc/12/66/17/584126617.db2.gz BVYAJGDLKYHMPD-LLVKDONJSA-N 2 2 281.360 -0.372 20 0 CBADLP O=C(/C=C/C[NH+]1CCOCC1)N[C@@H]1CCC[NH2+]C1 ZINC000876508705 584130118 /nfs/dbraw/zinc/13/01/18/584130118.db2.gz VSPGEHIBQRAWMS-FXMSTWTQSA-N 2 2 253.346 -0.257 20 0 CBADLP O=C(/C=C\C[NH+]1CCOCC1)N[C@@H]1CCC[NH2+]C1 ZINC000876508704 584130128 /nfs/dbraw/zinc/13/01/28/584130128.db2.gz VSPGEHIBQRAWMS-DTRQGZQOSA-N 2 2 253.346 -0.257 20 0 CBADLP C[NH2+]C[C@H]1CCN(C(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000876527007 584131313 /nfs/dbraw/zinc/13/13/13/584131313.db2.gz OOMOONRXLOPBRG-YWVDXFKGSA-N 2 2 267.373 -0.057 20 0 CBADLP C[N@@H+]1CCN(C(=O)CCc2cnc(N)s2)[C@H](C[NH3+])C1 ZINC000876541641 584132336 /nfs/dbraw/zinc/13/23/36/584132336.db2.gz DATKFAIUXRXAHL-SECBINFHSA-N 2 2 283.401 -0.241 20 0 CBADLP C[N@H+]1CCN(C(=O)CCc2cnc(N)s2)[C@H](C[NH3+])C1 ZINC000876541641 584132337 /nfs/dbraw/zinc/13/23/37/584132337.db2.gz DATKFAIUXRXAHL-SECBINFHSA-N 2 2 283.401 -0.241 20 0 CBADLP COC(=O)[C@@H]1CC[C@@H]1C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000876542220 584132504 /nfs/dbraw/zinc/13/25/04/584132504.db2.gz LRCKIJQHIBBQLO-GARJFASQSA-N 2 2 269.345 -0.713 20 0 CBADLP COC(=O)[C@@H]1CC[C@@H]1C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000876542220 584132506 /nfs/dbraw/zinc/13/25/06/584132506.db2.gz LRCKIJQHIBBQLO-GARJFASQSA-N 2 2 269.345 -0.713 20 0 CBADLP CN1C(=O)CS/C1=C\C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000876542472 584132761 /nfs/dbraw/zinc/13/27/61/584132761.db2.gz PICQPMJAZVOAQR-UKWOQQOSSA-N 2 2 284.385 -0.866 20 0 CBADLP CN1C(=O)CS/C1=C\C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000876542472 584132763 /nfs/dbraw/zinc/13/27/63/584132763.db2.gz PICQPMJAZVOAQR-UKWOQQOSSA-N 2 2 284.385 -0.866 20 0 CBADLP CN1C(=O)CS/C1=C\C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000876542469 584132830 /nfs/dbraw/zinc/13/28/30/584132830.db2.gz PICQPMJAZVOAQR-IWKZGAEBSA-N 2 2 284.385 -0.866 20 0 CBADLP CN1C(=O)CS/C1=C\C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000876542469 584132833 /nfs/dbraw/zinc/13/28/33/584132833.db2.gz PICQPMJAZVOAQR-IWKZGAEBSA-N 2 2 284.385 -0.866 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H](F)[C@@H]2CC[NH2+]C2)CCO1 ZINC000876746871 584142140 /nfs/dbraw/zinc/14/21/40/584142140.db2.gz QLUMECNMNYQHNT-UTUOFQBUSA-N 2 2 273.352 -0.229 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H](F)[C@@H]2CC[NH2+]C2)CCO1 ZINC000876746871 584142142 /nfs/dbraw/zinc/14/21/42/584142142.db2.gz QLUMECNMNYQHNT-UTUOFQBUSA-N 2 2 273.352 -0.229 20 0 CBADLP C[C@H](C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)N1CC[NH2+]CC1=O ZINC000876768336 584143718 /nfs/dbraw/zinc/14/37/18/584143718.db2.gz HUVYRCPJPNFYCA-JHJVBQTASA-N 2 2 296.415 -0.204 20 0 CBADLP [NH3+][C@H](CNC(=O)/C=C\C[NH+]1CCOCC1)C1CC1 ZINC000876791862 584144817 /nfs/dbraw/zinc/14/48/17/584144817.db2.gz PRAAHSKKYYHPNL-UDSFMNFJSA-N 2 2 253.346 -0.272 20 0 CBADLP NS(=O)(=O)c1cccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000876817671 584147493 /nfs/dbraw/zinc/14/74/93/584147493.db2.gz KNZGVVCPUUHBRW-TXEJJXNPSA-N 2 2 281.381 -0.015 20 0 CBADLP NS(=O)(=O)c1cccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000876817671 584147494 /nfs/dbraw/zinc/14/74/94/584147494.db2.gz KNZGVVCPUUHBRW-TXEJJXNPSA-N 2 2 281.381 -0.015 20 0 CBADLP O=C(/C=C/C[NH+]1CCOCC1)N1CC[NH2+]C[C@@H]1C(F)F ZINC000876852256 584149590 /nfs/dbraw/zinc/14/95/90/584149590.db2.gz BQBFUWBVYCQSNL-FMBMQGQPSA-N 2 2 289.326 -0.060 20 0 CBADLP O=C(/C=C\C[NH+]1CCOCC1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000876859749 584150484 /nfs/dbraw/zinc/15/04/84/584150484.db2.gz ZVLMGIFXKAOBMS-IAKTZEFTSA-N 2 2 251.330 -0.791 20 0 CBADLP CN(C(=O)/C=C\C[NH+]1CCOCC1)C1CC([NH3+])C1 ZINC000876861767 584150547 /nfs/dbraw/zinc/15/05/47/584150547.db2.gz GKCUIFIOJLELSK-IHWYPQMZSA-N 2 2 253.346 -0.177 20 0 CBADLP CN(CCCn1cc[nH+]c1)C(=O)[C@@H](N)C[NH+](C)C ZINC000876894225 584153607 /nfs/dbraw/zinc/15/36/07/584153607.db2.gz MVNIWTCOGMNKDZ-NSHDSACASA-N 2 2 253.350 -0.380 20 0 CBADLP O=C(CN1CC[NH2+]CC1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000876903083 584154380 /nfs/dbraw/zinc/15/43/80/584154380.db2.gz KFUINBQHDJQGDJ-LLVKDONJSA-N 2 2 263.345 -0.022 20 0 CBADLP C[C@@H]1CN(C(=O)/C=C/C[NH+]2CCOCC2)C[C@H]1[NH3+] ZINC000876915130 584155234 /nfs/dbraw/zinc/15/52/34/584155234.db2.gz LUJLVUBEEXJZPE-JGLYPNHGSA-N 2 2 253.346 -0.320 20 0 CBADLP Cn1ncc(C[NH3+])c1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000876960684 584158402 /nfs/dbraw/zinc/15/84/02/584158402.db2.gz KAQUWCGMHBXNLM-UHFFFAOYSA-N 3 2 296.419 -0.508 20 0 CBADLP Cn1ncc(C[NH3+])c1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000876960684 584158403 /nfs/dbraw/zinc/15/84/03/584158403.db2.gz KAQUWCGMHBXNLM-UHFFFAOYSA-N 3 2 296.419 -0.508 20 0 CBADLP O=C(/C=C/C[NH+]1CCOCC1)N1CCOC2(C[NH2+]C2)C1 ZINC000876984163 584159834 /nfs/dbraw/zinc/15/98/34/584159834.db2.gz BYDLOGOAJCOIAB-OWOJBTEDSA-N 2 2 281.356 -0.924 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC000877035031 584162727 /nfs/dbraw/zinc/16/27/27/584162727.db2.gz SHLUNZWFGICJIF-AXFHLTTASA-N 2 2 255.362 -0.193 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC000877035031 584162728 /nfs/dbraw/zinc/16/27/28/584162728.db2.gz SHLUNZWFGICJIF-AXFHLTTASA-N 2 2 255.362 -0.193 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000877035074 584162953 /nfs/dbraw/zinc/16/29/53/584162953.db2.gz SQVTVAAHCXIFLB-OUAUKWLOSA-N 2 2 259.325 -0.619 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000877035074 584162954 /nfs/dbraw/zinc/16/29/54/584162954.db2.gz SQVTVAAHCXIFLB-OUAUKWLOSA-N 2 2 259.325 -0.619 20 0 CBADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000877111601 584166795 /nfs/dbraw/zinc/16/67/95/584166795.db2.gz LDUXGBMJPRGBKN-LMZQTDFCSA-N 2 2 253.346 -0.259 20 0 CBADLP C[C@H](C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1)N1CC[NH2+]CC1=O ZINC000877249742 584172553 /nfs/dbraw/zinc/17/25/53/584172553.db2.gz LOHONXAFIAHLSU-FRRDWIJNSA-N 2 2 294.399 -0.641 20 0 CBADLP C[C@H](C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1)N1CC[NH2+]CC1=O ZINC000877249742 584172554 /nfs/dbraw/zinc/17/25/54/584172554.db2.gz LOHONXAFIAHLSU-FRRDWIJNSA-N 2 2 294.399 -0.641 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877276188 584175394 /nfs/dbraw/zinc/17/53/94/584175394.db2.gz DGSPULRZSWBUKN-OLZOCXBDSA-N 2 2 296.415 -0.204 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877276188 584175395 /nfs/dbraw/zinc/17/53/95/584175395.db2.gz DGSPULRZSWBUKN-OLZOCXBDSA-N 2 2 296.415 -0.204 20 0 CBADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)C1(OC)CC[NH2+]CC1 ZINC000877432819 584181049 /nfs/dbraw/zinc/18/10/49/584181049.db2.gz HXRACYSDIYVLIQ-CYBMUJFWSA-N 2 2 299.415 -0.018 20 0 CBADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)C1(OC)CC[NH2+]CC1 ZINC000877432819 584181050 /nfs/dbraw/zinc/18/10/50/584181050.db2.gz HXRACYSDIYVLIQ-CYBMUJFWSA-N 2 2 299.415 -0.018 20 0 CBADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000877432794 584181127 /nfs/dbraw/zinc/18/11/27/584181127.db2.gz HFDGFCQISQLMRR-NEPJUHHUSA-N 2 2 271.361 -0.798 20 0 CBADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000877432794 584181130 /nfs/dbraw/zinc/18/11/30/584181130.db2.gz HFDGFCQISQLMRR-NEPJUHHUSA-N 2 2 271.361 -0.798 20 0 CBADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)C[C@H](C[NH3+])OC ZINC000877433702 584181251 /nfs/dbraw/zinc/18/12/51/584181251.db2.gz HQJWDVZXDORUEG-VXGBXAGGSA-N 2 2 273.377 -0.423 20 0 CBADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)C[C@H](C[NH3+])OC ZINC000877433702 584181253 /nfs/dbraw/zinc/18/12/53/584181253.db2.gz HQJWDVZXDORUEG-VXGBXAGGSA-N 2 2 273.377 -0.423 20 0 CBADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000877432796 584181283 /nfs/dbraw/zinc/18/12/83/584181283.db2.gz HFDGFCQISQLMRR-RYUDHWBXSA-N 2 2 271.361 -0.798 20 0 CBADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000877432796 584181284 /nfs/dbraw/zinc/18/12/84/584181284.db2.gz HFDGFCQISQLMRR-RYUDHWBXSA-N 2 2 271.361 -0.798 20 0 CBADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)C[C@H](C[NH3+])OC ZINC000877433700 584181343 /nfs/dbraw/zinc/18/13/43/584181343.db2.gz HQJWDVZXDORUEG-NWDGAFQWSA-N 2 2 273.377 -0.423 20 0 CBADLP CC[C@H]1COCC[N@H+]1CCNC(=O)C[C@H](C[NH3+])OC ZINC000877433700 584181345 /nfs/dbraw/zinc/18/13/45/584181345.db2.gz HQJWDVZXDORUEG-NWDGAFQWSA-N 2 2 273.377 -0.423 20 0 CBADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000877434046 584181575 /nfs/dbraw/zinc/18/15/75/584181575.db2.gz MLMSRNKAIHRWGL-GXTWGEPZSA-N 2 2 285.388 -0.408 20 0 CBADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000877434046 584181576 /nfs/dbraw/zinc/18/15/76/584181576.db2.gz MLMSRNKAIHRWGL-GXTWGEPZSA-N 2 2 285.388 -0.408 20 0 CBADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@@]1(COC)CC[NH2+]C1 ZINC000877434029 584181719 /nfs/dbraw/zinc/18/17/19/584181719.db2.gz MDNKODUZPHCBOH-ZFWWWQNUSA-N 2 2 299.415 -0.161 20 0 CBADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@@]1(COC)CC[NH2+]C1 ZINC000877434029 584181721 /nfs/dbraw/zinc/18/17/21/584181721.db2.gz MDNKODUZPHCBOH-ZFWWWQNUSA-N 2 2 299.415 -0.161 20 0 CBADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)C[C@@H]1COCC[NH2+]1 ZINC000877434810 584181927 /nfs/dbraw/zinc/18/19/27/584181927.db2.gz UXFQCYFTMKOIKD-CHWSQXEVSA-N 2 2 285.388 -0.408 20 0 CBADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)C[C@@H]1COCC[NH2+]1 ZINC000877434810 584181929 /nfs/dbraw/zinc/18/19/29/584181929.db2.gz UXFQCYFTMKOIKD-CHWSQXEVSA-N 2 2 285.388 -0.408 20 0 CBADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000877434559 584181957 /nfs/dbraw/zinc/18/19/57/584181957.db2.gz SGPAXUPYVIDSFL-LPWJVIDDSA-N 2 2 267.373 -0.036 20 0 CBADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000877434559 584181959 /nfs/dbraw/zinc/18/19/59/584181959.db2.gz SGPAXUPYVIDSFL-LPWJVIDDSA-N 2 2 267.373 -0.036 20 0 CBADLP CN(C)C(=O)C[N@H+](C)CC(=O)NC1CC[NH+](C)CC1 ZINC000877941032 584188271 /nfs/dbraw/zinc/18/82/71/584188271.db2.gz ZPYFHIWJDCFRQC-UHFFFAOYSA-N 2 2 270.377 -0.783 20 0 CBADLP CN(C)C(=O)C[N@@H+](C)CC(=O)NC1CC[NH+](C)CC1 ZINC000877941032 584188273 /nfs/dbraw/zinc/18/82/73/584188273.db2.gz ZPYFHIWJDCFRQC-UHFFFAOYSA-N 2 2 270.377 -0.783 20 0 CBADLP C[NH+](C)CC(=O)N1CC[NH+](C[C@H](O)CC(C)(C)O)CC1 ZINC000877958962 584188903 /nfs/dbraw/zinc/18/89/03/584188903.db2.gz QHGPCBNLBKBAKW-GFCCVEGCSA-N 2 2 287.404 -0.786 20 0 CBADLP CCNC(=O)C[N@H+](C)CC(=O)NC1CC[NH+](C)CC1 ZINC000877973832 584189395 /nfs/dbraw/zinc/18/93/95/584189395.db2.gz CKZOGACSFWKEIG-UHFFFAOYSA-N 2 2 270.377 -0.735 20 0 CBADLP CCNC(=O)C[N@@H+](C)CC(=O)NC1CC[NH+](C)CC1 ZINC000877973832 584189397 /nfs/dbraw/zinc/18/93/97/584189397.db2.gz CKZOGACSFWKEIG-UHFFFAOYSA-N 2 2 270.377 -0.735 20 0 CBADLP C[N@H+](CCCO)C1CC[NH+](CCn2cnnn2)CC1 ZINC000878109406 584193342 /nfs/dbraw/zinc/19/33/42/584193342.db2.gz QSLCLWFSPZCRMD-UHFFFAOYSA-N 2 2 268.365 -0.548 20 0 CBADLP C[N@@H+](CCCO)C1CC[NH+](CCn2cnnn2)CC1 ZINC000878109406 584193343 /nfs/dbraw/zinc/19/33/43/584193343.db2.gz QSLCLWFSPZCRMD-UHFFFAOYSA-N 2 2 268.365 -0.548 20 0 CBADLP Cc1nc(N2CC[NH+](CCc3nnnn3C)CC2)cc[nH+]1 ZINC000878431082 584202648 /nfs/dbraw/zinc/20/26/48/584202648.db2.gz YGXSONDNEYWZAG-UHFFFAOYSA-N 2 2 288.359 -0.327 20 0 CBADLP C[NH+]1CCC(NC(=O)C[N@@H+]2CCO[C@@]3(CCOC3)C2)CC1 ZINC000878440113 584202957 /nfs/dbraw/zinc/20/29/57/584202957.db2.gz CVEAXIALBWHFNA-HNNXBMFYSA-N 2 2 297.399 -0.312 20 0 CBADLP C[NH+]1CCC(NC(=O)C[N@H+]2CCO[C@@]3(CCOC3)C2)CC1 ZINC000878440113 584202960 /nfs/dbraw/zinc/20/29/60/584202960.db2.gz CVEAXIALBWHFNA-HNNXBMFYSA-N 2 2 297.399 -0.312 20 0 CBADLP C[C@@H]1CC[N@H+](CC(=O)NC2CC[NH+](C)CC2)[C@@H](C(N)=O)C1 ZINC000878466765 584204358 /nfs/dbraw/zinc/20/43/58/584204358.db2.gz PHYJIDZBBSQTBV-DGCLKSJQSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@@H]1CC[N@@H+](CC(=O)NC2CC[NH+](C)CC2)[C@@H](C(N)=O)C1 ZINC000878466765 584204359 /nfs/dbraw/zinc/20/43/59/584204359.db2.gz PHYJIDZBBSQTBV-DGCLKSJQSA-N 2 2 296.415 -0.217 20 0 CBADLP C[NH+](C)C[C@@]1(O)CCC[N@H+](CCn2cnnn2)C1 ZINC000878865262 584219401 /nfs/dbraw/zinc/21/94/01/584219401.db2.gz GFVSNMUXKAJISU-NSHDSACASA-N 2 2 254.338 -0.938 20 0 CBADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CCn2cnnn2)C1 ZINC000878865262 584219402 /nfs/dbraw/zinc/21/94/02/584219402.db2.gz GFVSNMUXKAJISU-NSHDSACASA-N 2 2 254.338 -0.938 20 0 CBADLP Cn1nnnc1CC[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000878865235 584219472 /nfs/dbraw/zinc/21/94/72/584219472.db2.gz FIORYDOKQVYMLB-LBPRGKRZSA-N 2 2 268.365 -0.859 20 0 CBADLP Cn1nnnc1CC[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000878865235 584219474 /nfs/dbraw/zinc/21/94/74/584219474.db2.gz FIORYDOKQVYMLB-LBPRGKRZSA-N 2 2 268.365 -0.859 20 0 CBADLP C[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000879038767 584224671 /nfs/dbraw/zinc/22/46/71/584224671.db2.gz XXMBSOYFWGLNFG-NSHDSACASA-N 2 2 268.361 -0.854 20 0 CBADLP C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000879038767 584224672 /nfs/dbraw/zinc/22/46/72/584224672.db2.gz XXMBSOYFWGLNFG-NSHDSACASA-N 2 2 268.361 -0.854 20 0 CBADLP C[N@H+](C[C@@H](O)C[NH+]1CCC([C@@H](F)C(N)=O)CC1)C1CC1 ZINC000879042576 584224762 /nfs/dbraw/zinc/22/47/62/584224762.db2.gz AUHSWXWKKNVLPG-CHWSQXEVSA-N 2 2 287.379 -0.023 20 0 CBADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC([C@@H](F)C(N)=O)CC1)C1CC1 ZINC000879042576 584224763 /nfs/dbraw/zinc/22/47/63/584224763.db2.gz AUHSWXWKKNVLPG-CHWSQXEVSA-N 2 2 287.379 -0.023 20 0 CBADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H]1CCC(=O)O1 ZINC000879355654 584233078 /nfs/dbraw/zinc/23/30/78/584233078.db2.gz IGIAALXEWRQHGG-NSHDSACASA-N 2 2 269.345 -0.602 20 0 CBADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H]1CCC(=O)O1 ZINC000879355654 584233080 /nfs/dbraw/zinc/23/30/80/584233080.db2.gz IGIAALXEWRQHGG-NSHDSACASA-N 2 2 269.345 -0.602 20 0 CBADLP C[N@H+](CCC1OCCO1)CC(=O)N1CC[NH+](C)CC1 ZINC000879355629 584233105 /nfs/dbraw/zinc/23/31/05/584233105.db2.gz HLOHTEDPHSJEQU-UHFFFAOYSA-N 2 2 271.361 -0.545 20 0 CBADLP C[N@@H+](CCC1OCCO1)CC(=O)N1CC[NH+](C)CC1 ZINC000879355629 584233107 /nfs/dbraw/zinc/23/31/07/584233107.db2.gz HLOHTEDPHSJEQU-UHFFFAOYSA-N 2 2 271.361 -0.545 20 0 CBADLP C[N@@H+]1CC[C@H]2C[NH+](CC(=O)N3CCOCC3)CC[C@H]21 ZINC000879567358 584240686 /nfs/dbraw/zinc/24/06/86/584240686.db2.gz OXNDPJYQXIBMDD-QWHCGFSZSA-N 2 2 267.373 -0.129 20 0 CBADLP C[N@H+]1CC[C@H]2C[NH+](CC(=O)N3CCOCC3)CC[C@H]21 ZINC000879567358 584240688 /nfs/dbraw/zinc/24/06/88/584240688.db2.gz OXNDPJYQXIBMDD-QWHCGFSZSA-N 2 2 267.373 -0.129 20 0 CBADLP C[NH+]1CC[C@H]2C[N@H+](CC(=O)N3CCOCC3)CC[C@H]21 ZINC000879567358 584240689 /nfs/dbraw/zinc/24/06/89/584240689.db2.gz OXNDPJYQXIBMDD-QWHCGFSZSA-N 2 2 267.373 -0.129 20 0 CBADLP C[NH+]1CC[C@H]2C[N@@H+](CC(=O)N3CCOCC3)CC[C@H]21 ZINC000879567358 584240691 /nfs/dbraw/zinc/24/06/91/584240691.db2.gz OXNDPJYQXIBMDD-QWHCGFSZSA-N 2 2 267.373 -0.129 20 0 CBADLP C[N@@H+]1CC[C@H]2C[NH+](CC(=O)N3CCOCC3)CC[C@@H]21 ZINC000879567359 584240769 /nfs/dbraw/zinc/24/07/69/584240769.db2.gz OXNDPJYQXIBMDD-STQMWFEESA-N 2 2 267.373 -0.129 20 0 CBADLP C[N@H+]1CC[C@H]2C[NH+](CC(=O)N3CCOCC3)CC[C@@H]21 ZINC000879567359 584240771 /nfs/dbraw/zinc/24/07/71/584240771.db2.gz OXNDPJYQXIBMDD-STQMWFEESA-N 2 2 267.373 -0.129 20 0 CBADLP C[NH+]1CC[C@H]2C[N@H+](CC(=O)N3CCOCC3)CC[C@@H]21 ZINC000879567359 584240773 /nfs/dbraw/zinc/24/07/73/584240773.db2.gz OXNDPJYQXIBMDD-STQMWFEESA-N 2 2 267.373 -0.129 20 0 CBADLP C[NH+]1CC[C@H]2C[N@@H+](CC(=O)N3CCOCC3)CC[C@@H]21 ZINC000879567359 584240775 /nfs/dbraw/zinc/24/07/75/584240775.db2.gz OXNDPJYQXIBMDD-STQMWFEESA-N 2 2 267.373 -0.129 20 0 CBADLP C[N@@H+]1CC[C@@H]2C[NH+](CC(=O)N3CCOCC3)CC[C@H]21 ZINC000879567356 584240943 /nfs/dbraw/zinc/24/09/43/584240943.db2.gz OXNDPJYQXIBMDD-CHWSQXEVSA-N 2 2 267.373 -0.129 20 0 CBADLP C[N@H+]1CC[C@@H]2C[NH+](CC(=O)N3CCOCC3)CC[C@H]21 ZINC000879567356 584240944 /nfs/dbraw/zinc/24/09/44/584240944.db2.gz OXNDPJYQXIBMDD-CHWSQXEVSA-N 2 2 267.373 -0.129 20 0 CBADLP C[NH+]1CC[C@@H]2C[N@H+](CC(=O)N3CCOCC3)CC[C@H]21 ZINC000879567356 584240946 /nfs/dbraw/zinc/24/09/46/584240946.db2.gz OXNDPJYQXIBMDD-CHWSQXEVSA-N 2 2 267.373 -0.129 20 0 CBADLP C[NH+]1CC[C@@H]2C[N@@H+](CC(=O)N3CCOCC3)CC[C@H]21 ZINC000879567356 584240947 /nfs/dbraw/zinc/24/09/47/584240947.db2.gz OXNDPJYQXIBMDD-CHWSQXEVSA-N 2 2 267.373 -0.129 20 0 CBADLP C[N@@H+]1CC[C@@H]2C[NH+](CC(=O)N3CCNC3=O)CC[C@H]21 ZINC000879570353 584240952 /nfs/dbraw/zinc/24/09/52/584240952.db2.gz YPPPXKVFUQRKSL-GHMZBOCLSA-N 2 2 266.345 -0.436 20 0 CBADLP C[N@H+]1CC[C@@H]2C[NH+](CC(=O)N3CCNC3=O)CC[C@H]21 ZINC000879570353 584240954 /nfs/dbraw/zinc/24/09/54/584240954.db2.gz YPPPXKVFUQRKSL-GHMZBOCLSA-N 2 2 266.345 -0.436 20 0 CBADLP C[NH+]1CC[C@@H]2C[N@H+](CC(=O)N3CCNC3=O)CC[C@H]21 ZINC000879570353 584240956 /nfs/dbraw/zinc/24/09/56/584240956.db2.gz YPPPXKVFUQRKSL-GHMZBOCLSA-N 2 2 266.345 -0.436 20 0 CBADLP C[NH+]1CC[C@@H]2C[N@@H+](CC(=O)N3CCNC3=O)CC[C@H]21 ZINC000879570353 584240958 /nfs/dbraw/zinc/24/09/58/584240958.db2.gz YPPPXKVFUQRKSL-GHMZBOCLSA-N 2 2 266.345 -0.436 20 0 CBADLP C[N@@H+]1CC[C@H]2C[NH+](CCNS(C)(=O)=O)CC[C@H]21 ZINC000879573488 584241110 /nfs/dbraw/zinc/24/11/10/584241110.db2.gz OUCGMNHSGPPEDE-WDEREUQCSA-N 2 2 261.391 -0.438 20 0 CBADLP C[N@H+]1CC[C@H]2C[NH+](CCNS(C)(=O)=O)CC[C@H]21 ZINC000879573488 584241112 /nfs/dbraw/zinc/24/11/12/584241112.db2.gz OUCGMNHSGPPEDE-WDEREUQCSA-N 2 2 261.391 -0.438 20 0 CBADLP C[NH+]1CC[C@H]2C[N@H+](CCNS(C)(=O)=O)CC[C@H]21 ZINC000879573488 584241113 /nfs/dbraw/zinc/24/11/13/584241113.db2.gz OUCGMNHSGPPEDE-WDEREUQCSA-N 2 2 261.391 -0.438 20 0 CBADLP C[NH+]1CC[C@H]2C[N@@H+](CCNS(C)(=O)=O)CC[C@H]21 ZINC000879573488 584241114 /nfs/dbraw/zinc/24/11/14/584241114.db2.gz OUCGMNHSGPPEDE-WDEREUQCSA-N 2 2 261.391 -0.438 20 0 CBADLP O=C1NCCO[C@@H]2CCC[N@H+](CCn3cc[nH+]c3)[C@@H]12 ZINC000879722016 584247074 /nfs/dbraw/zinc/24/70/74/584247074.db2.gz QKERTFCWXLXCII-VXGBXAGGSA-N 2 2 264.329 -0.138 20 0 CBADLP O=C1NCCO[C@@H]2CCC[N@@H+](CCn3cc[nH+]c3)[C@@H]12 ZINC000879722016 584247075 /nfs/dbraw/zinc/24/70/75/584247075.db2.gz QKERTFCWXLXCII-VXGBXAGGSA-N 2 2 264.329 -0.138 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(c2nnnn2C)CC1 ZINC000879916168 584253617 /nfs/dbraw/zinc/25/36/17/584253617.db2.gz JGAUNVMUPCPUNA-LBPRGKRZSA-N 2 2 282.392 -0.298 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(c2nnnn2C)CC1 ZINC000879916168 584253620 /nfs/dbraw/zinc/25/36/20/584253620.db2.gz JGAUNVMUPCPUNA-LBPRGKRZSA-N 2 2 282.392 -0.298 20 0 CBADLP CONC(=O)C1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000879926501 584254269 /nfs/dbraw/zinc/25/42/69/584254269.db2.gz UKGBZWITWOSOFV-CYBMUJFWSA-N 2 2 285.388 -0.169 20 0 CBADLP CONC(=O)C1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000879926501 584254272 /nfs/dbraw/zinc/25/42/72/584254272.db2.gz UKGBZWITWOSOFV-CYBMUJFWSA-N 2 2 285.388 -0.169 20 0 CBADLP C[N@H+](C[C@H](O)C[NH+]1CCC(CO)(CO)CC1)C1CC1 ZINC000879971038 584257323 /nfs/dbraw/zinc/25/73/23/584257323.db2.gz KMJQFQVEDOWPLL-ZDUSSCGKSA-N 2 2 272.389 -0.492 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH+]1CCC(CO)(CO)CC1)C1CC1 ZINC000879971038 584257326 /nfs/dbraw/zinc/25/73/26/584257326.db2.gz KMJQFQVEDOWPLL-ZDUSSCGKSA-N 2 2 272.389 -0.492 20 0 CBADLP C[C@@H]1C[N@H+](CCN2C[C@@H]3CCC[NH+]3C[C@@H]2CO)CCO1 ZINC000880071627 584260888 /nfs/dbraw/zinc/26/08/88/584260888.db2.gz LNDBKAGUJHXCAN-QLFBSQMISA-N 2 2 283.416 -0.152 20 0 CBADLP C[C@@H]1C[N@@H+](CCN2C[C@@H]3CCC[NH+]3C[C@@H]2CO)CCO1 ZINC000880071627 584260889 /nfs/dbraw/zinc/26/08/89/584260889.db2.gz LNDBKAGUJHXCAN-QLFBSQMISA-N 2 2 283.416 -0.152 20 0 CBADLP C[C@@H]1C[NH+](CCN2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)CCO1 ZINC000880071627 584260891 /nfs/dbraw/zinc/26/08/91/584260891.db2.gz LNDBKAGUJHXCAN-QLFBSQMISA-N 2 2 283.416 -0.152 20 0 CBADLP C[C@@H]1C[NH+](CCN2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)CCO1 ZINC000880071627 584260892 /nfs/dbraw/zinc/26/08/92/584260892.db2.gz LNDBKAGUJHXCAN-QLFBSQMISA-N 2 2 283.416 -0.152 20 0 CBADLP C[N@@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCN1C(=O)CNC1=O ZINC000880132716 584263879 /nfs/dbraw/zinc/26/38/79/584263879.db2.gz LVVMBRWRTBGZSA-MNOVXSKESA-N 2 2 266.345 -0.293 20 0 CBADLP C[N@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCN1C(=O)CNC1=O ZINC000880132716 584263881 /nfs/dbraw/zinc/26/38/81/584263881.db2.gz LVVMBRWRTBGZSA-MNOVXSKESA-N 2 2 266.345 -0.293 20 0 CBADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@@H+]2CCN1C(=O)CNC1=O ZINC000880132716 584263884 /nfs/dbraw/zinc/26/38/84/584263884.db2.gz LVVMBRWRTBGZSA-MNOVXSKESA-N 2 2 266.345 -0.293 20 0 CBADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@H+]2CCN1C(=O)CNC1=O ZINC000880132716 584263885 /nfs/dbraw/zinc/26/38/85/584263885.db2.gz LVVMBRWRTBGZSA-MNOVXSKESA-N 2 2 266.345 -0.293 20 0 CBADLP Cn1nnnc1CC[N@@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000880141251 584263981 /nfs/dbraw/zinc/26/39/81/584263981.db2.gz OMONDIWVLAUEBQ-QWRGUYRKSA-N 2 2 250.350 -0.079 20 0 CBADLP Cn1nnnc1CC[N@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000880141251 584263982 /nfs/dbraw/zinc/26/39/82/584263982.db2.gz OMONDIWVLAUEBQ-QWRGUYRKSA-N 2 2 250.350 -0.079 20 0 CBADLP Cn1nnnc1CC[NH+]1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000880141251 584263983 /nfs/dbraw/zinc/26/39/83/584263983.db2.gz OMONDIWVLAUEBQ-QWRGUYRKSA-N 2 2 250.350 -0.079 20 0 CBADLP Cn1nnnc1CC[NH+]1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000880141251 584263984 /nfs/dbraw/zinc/26/39/84/584263984.db2.gz OMONDIWVLAUEBQ-QWRGUYRKSA-N 2 2 250.350 -0.079 20 0 CBADLP CNC(=O)C[NH+](CCCn1cc[nH+]c1)CC(=O)NC ZINC000880152899 584264781 /nfs/dbraw/zinc/26/47/81/584264781.db2.gz YPRIBIFCDLLEDY-UHFFFAOYSA-N 2 2 267.333 -0.933 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCNC(=O)CC12CCC2 ZINC000880168646 584266873 /nfs/dbraw/zinc/26/68/73/584266873.db2.gz SZOQANMGFLCWCX-ZDUSSCGKSA-N 2 2 299.415 -0.330 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCNC(=O)CC12CCC2 ZINC000880168646 584266875 /nfs/dbraw/zinc/26/68/75/584266875.db2.gz SZOQANMGFLCWCX-ZDUSSCGKSA-N 2 2 299.415 -0.330 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCNC(=O)CC12CCC2 ZINC000880168646 584266876 /nfs/dbraw/zinc/26/68/76/584266876.db2.gz SZOQANMGFLCWCX-ZDUSSCGKSA-N 2 2 299.415 -0.330 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCNC(=O)CC12CCC2 ZINC000880168646 584266878 /nfs/dbraw/zinc/26/68/78/584266878.db2.gz SZOQANMGFLCWCX-ZDUSSCGKSA-N 2 2 299.415 -0.330 20 0 CBADLP NC(=O)NC(=O)CC[N@@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880209360 584267314 /nfs/dbraw/zinc/26/73/14/584267314.db2.gz SQSWDEIDFXKKOS-LBPRGKRZSA-N 2 2 298.387 -0.196 20 0 CBADLP NC(=O)NC(=O)CC[N@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880209360 584267316 /nfs/dbraw/zinc/26/73/16/584267316.db2.gz SQSWDEIDFXKKOS-LBPRGKRZSA-N 2 2 298.387 -0.196 20 0 CBADLP NC(=O)C1([NH+]2CCCCC2)CC[NH+](CCOCCO)CC1 ZINC000880249792 584267671 /nfs/dbraw/zinc/26/76/71/584267671.db2.gz HEKWBXQVVKDPKG-UHFFFAOYSA-N 2 2 299.415 -0.199 20 0 CBADLP CNC(=O)CC[NH+]1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000880249711 584267755 /nfs/dbraw/zinc/26/77/55/584267755.db2.gz GCNIMCTWLNYEIG-UHFFFAOYSA-N 2 2 296.415 -0.072 20 0 CBADLP NC(=O)C[N@H+](C[C@@H](O)C[NH+]1CCCC1)C1CCOCC1 ZINC000880391171 584270486 /nfs/dbraw/zinc/27/04/86/584270486.db2.gz BPPIDTRKAQILPW-ZDUSSCGKSA-N 2 2 285.388 -0.591 20 0 CBADLP NC(=O)C[N@@H+](C[C@@H](O)C[NH+]1CCCC1)C1CCOCC1 ZINC000880391171 584270487 /nfs/dbraw/zinc/27/04/87/584270487.db2.gz BPPIDTRKAQILPW-ZDUSSCGKSA-N 2 2 285.388 -0.591 20 0 CBADLP COC(=O)[C@@]1(O)CC[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000880567710 584282526 /nfs/dbraw/zinc/28/25/26/584282526.db2.gz MRIUFWKYSYJCSA-CYBMUJFWSA-N 2 2 267.329 -0.038 20 0 CBADLP COC(=O)[C@@]1(O)CC[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000880567710 584282528 /nfs/dbraw/zinc/28/25/28/584282528.db2.gz MRIUFWKYSYJCSA-CYBMUJFWSA-N 2 2 267.329 -0.038 20 0 CBADLP CC[N@@H+]1CC[C@H]1CNS(=O)(=O)C[C@H]1C[NH+](C)CCO1 ZINC000882763418 584324768 /nfs/dbraw/zinc/32/47/68/584324768.db2.gz NTAOMFSEAWNNJM-NWDGAFQWSA-N 2 2 291.417 -0.669 20 0 CBADLP CC[N@H+]1CC[C@H]1CNS(=O)(=O)C[C@H]1C[NH+](C)CCO1 ZINC000882763418 584324769 /nfs/dbraw/zinc/32/47/69/584324769.db2.gz NTAOMFSEAWNNJM-NWDGAFQWSA-N 2 2 291.417 -0.669 20 0 CBADLP CC[NH+]1CC[C@H]1CNS(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000882763418 584324771 /nfs/dbraw/zinc/32/47/71/584324771.db2.gz NTAOMFSEAWNNJM-NWDGAFQWSA-N 2 2 291.417 -0.669 20 0 CBADLP CC[NH+]1CC[C@H]1CNS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000882763418 584324773 /nfs/dbraw/zinc/32/47/73/584324773.db2.gz NTAOMFSEAWNNJM-NWDGAFQWSA-N 2 2 291.417 -0.669 20 0 CBADLP C[N@H+](CCNCc1c[nH+]c2n1CCC2)CCOCCO ZINC000883348642 584340028 /nfs/dbraw/zinc/34/00/28/584340028.db2.gz YYQNSYTVZRGLRO-UHFFFAOYSA-N 2 2 282.388 -0.140 20 0 CBADLP C[N@@H+](CCNCc1c[nH+]c2n1CCC2)CCOCCO ZINC000883348642 584340031 /nfs/dbraw/zinc/34/00/31/584340031.db2.gz YYQNSYTVZRGLRO-UHFFFAOYSA-N 2 2 282.388 -0.140 20 0 CBADLP O=C(C[NH+]1CCN(C[C@@H]2C[C@H](F)C[NH2+]2)CC1)NC1CC1 ZINC000883422411 584341540 /nfs/dbraw/zinc/34/15/40/584341540.db2.gz MHHWYMCZIFILIM-AAEUAGOBSA-N 2 2 284.379 -0.417 20 0 CBADLP CC(C)NC(=O)C[NH+]1CCN(C[C@@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000883422086 584341566 /nfs/dbraw/zinc/34/15/66/584341566.db2.gz DVPBRVOAMPFHMU-STQMWFEESA-N 2 2 286.395 -0.171 20 0 CBADLP O=C1NCC[C@@H]2CCC[N@H+](C[C@@H]3C[NH2+]CCO3)[C@@H]12 ZINC000883462413 584343179 /nfs/dbraw/zinc/34/31/79/584343179.db2.gz QRAXSDZILHOEPK-SDDRHHMPSA-N 2 2 253.346 -0.425 20 0 CBADLP O=C1NCC[C@@H]2CCC[N@@H+](C[C@@H]3C[NH2+]CCO3)[C@@H]12 ZINC000883462413 584343181 /nfs/dbraw/zinc/34/31/81/584343181.db2.gz QRAXSDZILHOEPK-SDDRHHMPSA-N 2 2 253.346 -0.425 20 0 CBADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC=C[C@H]2CO)CC1 ZINC000883560391 584344786 /nfs/dbraw/zinc/34/47/86/584344786.db2.gz AVHMTWREYUQMCA-AWEZNQCLSA-N 2 2 296.415 -0.045 20 0 CBADLP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000883644786 584345738 /nfs/dbraw/zinc/34/57/38/584345738.db2.gz RRTWTWULCLJLQA-GFCCVEGCSA-N 2 2 282.388 -0.639 20 0 CBADLP COCC[C@H]([NH3+])C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000884196973 584365483 /nfs/dbraw/zinc/36/54/83/584365483.db2.gz GUZLFTHOVVCVRR-OLZOCXBDSA-N 2 2 285.388 -0.327 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)c2ncoc2C[NH3+])CCO1 ZINC000884206474 584366848 /nfs/dbraw/zinc/36/68/48/584366848.db2.gz WDMNCJNWJXYCET-SECBINFHSA-N 2 2 268.317 -0.416 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)c2ncoc2C[NH3+])CCO1 ZINC000884206474 584366849 /nfs/dbraw/zinc/36/68/49/584366849.db2.gz WDMNCJNWJXYCET-SECBINFHSA-N 2 2 268.317 -0.416 20 0 CBADLP C[C@@H](NC(=O)c1ncoc1C[NH3+])[C@@H](C)[NH+]1CCOCC1 ZINC000884212799 584367586 /nfs/dbraw/zinc/36/75/86/584367586.db2.gz MKVQDRDNEBKYMF-NXEZZACHSA-N 2 2 282.344 -0.028 20 0 CBADLP C[C@H]([C@H](C)NC(=O)c1ncoc1C[NH3+])[NH+]1CCOCC1 ZINC000884212801 584367656 /nfs/dbraw/zinc/36/76/56/584367656.db2.gz MKVQDRDNEBKYMF-VHSXEESVSA-N 2 2 282.344 -0.028 20 0 CBADLP C[NH2+][C@@H](CC(C)C)C(=O)N1CC[NH+](CCO)CC1 ZINC000884284182 584371802 /nfs/dbraw/zinc/37/18/02/584371802.db2.gz FSZNGVYHDMHIKR-LBPRGKRZSA-N 2 2 257.378 -0.243 20 0 CBADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]([NH3+])CC2CC2)CC1 ZINC000884307321 584373064 /nfs/dbraw/zinc/37/30/64/584373064.db2.gz GXMHKDGMYNORBV-CYBMUJFWSA-N 2 2 296.415 -0.216 20 0 CBADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]([NH3+])CC2CC2)CC1 ZINC000884307321 584373067 /nfs/dbraw/zinc/37/30/67/584373067.db2.gz GXMHKDGMYNORBV-CYBMUJFWSA-N 2 2 296.415 -0.216 20 0 CBADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]([NH3+])CC2CC2)CC1 ZINC000884307322 584373116 /nfs/dbraw/zinc/37/31/16/584373116.db2.gz GXMHKDGMYNORBV-ZDUSSCGKSA-N 2 2 296.415 -0.216 20 0 CBADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]([NH3+])CC2CC2)CC1 ZINC000884307322 584373119 /nfs/dbraw/zinc/37/31/19/584373119.db2.gz GXMHKDGMYNORBV-ZDUSSCGKSA-N 2 2 296.415 -0.216 20 0 CBADLP CO[C@@H](C[NH3+])C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000884316753 584374023 /nfs/dbraw/zinc/37/40/23/584374023.db2.gz CKFQHLMWTNGNTJ-QWRGUYRKSA-N 2 2 264.329 -0.250 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000884360104 584376101 /nfs/dbraw/zinc/37/61/01/584376101.db2.gz VAAGADMXVXBWSL-MNOVXSKESA-N 2 2 284.404 -0.315 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000884360104 584376102 /nfs/dbraw/zinc/37/61/02/584376102.db2.gz VAAGADMXVXBWSL-MNOVXSKESA-N 2 2 284.404 -0.315 20 0 CBADLP C[C@H](C(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C)N1CC[NH2+]CC1=O ZINC000884364773 584376971 /nfs/dbraw/zinc/37/69/71/584376971.db2.gz YLSOGFYZZULIMS-KXUCPTDWSA-N 2 2 268.361 -0.951 20 0 CBADLP C[C@H](C(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C)N1CC[NH2+]CC1=O ZINC000884364774 584377065 /nfs/dbraw/zinc/37/70/65/584377065.db2.gz YLSOGFYZZULIMS-OPRDCNLKSA-N 2 2 268.361 -0.951 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ncoc1C[NH3+] ZINC000884401614 584379228 /nfs/dbraw/zinc/37/92/28/584379228.db2.gz VIUCYQKLPGBQSI-UHFFFAOYSA-N 3 2 283.376 -0.253 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ncoc1C[NH3+] ZINC000884401614 584379229 /nfs/dbraw/zinc/37/92/29/584379229.db2.gz VIUCYQKLPGBQSI-UHFFFAOYSA-N 3 2 283.376 -0.253 20 0 CBADLP COCC[C@H]([NH3+])C(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000884401108 584379339 /nfs/dbraw/zinc/37/93/39/584379339.db2.gz FBXRDNFSJGAHKM-WOPDTQHZSA-N 2 2 273.377 -0.424 20 0 CBADLP COCC[C@H]([NH3+])C(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000884401108 584379342 /nfs/dbraw/zinc/37/93/42/584379342.db2.gz FBXRDNFSJGAHKM-WOPDTQHZSA-N 2 2 273.377 -0.424 20 0 CBADLP CO[C@@H](C[NH3+])C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000884412644 584380176 /nfs/dbraw/zinc/38/01/76/584380176.db2.gz XHKZRUYGEWUADS-KBPBESRZSA-N 3 2 298.431 -0.413 20 0 CBADLP CO[C@@H](C[NH3+])C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000884412644 584380178 /nfs/dbraw/zinc/38/01/78/584380178.db2.gz XHKZRUYGEWUADS-KBPBESRZSA-N 3 2 298.431 -0.413 20 0 CBADLP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)NCc1[nH+]ccn1C ZINC000884630014 584391879 /nfs/dbraw/zinc/39/18/79/584391879.db2.gz SNIXGVCORCZRRN-LLVKDONJSA-N 2 2 293.371 -0.363 20 0 CBADLP COC(=O)[C@@H]1CC[C@@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)C1 ZINC000886516447 584441852 /nfs/dbraw/zinc/44/18/52/584441852.db2.gz ICWBUISIARKCFC-VXGBXAGGSA-N 2 2 283.372 -0.308 20 0 CBADLP COC(=O)[C@@H]1CC[C@@H]([NH2+]CC[N@@H+]2CC[C@@H](O)C2)C1 ZINC000886643109 584444115 /nfs/dbraw/zinc/44/41/15/584444115.db2.gz LIBIWLMQMPJBNY-IJLUTSLNSA-N 2 2 256.346 -0.016 20 0 CBADLP COC(=O)[C@@H]1CC[C@@H]([NH2+]CC[N@H+]2CC[C@@H](O)C2)C1 ZINC000886643109 584444116 /nfs/dbraw/zinc/44/41/16/584444116.db2.gz LIBIWLMQMPJBNY-IJLUTSLNSA-N 2 2 256.346 -0.016 20 0 CBADLP CCN(C(=O)C(=O)N1CC[NH+](C2CC2)CC1)[C@@H]1CC[NH2+]C1 ZINC000887066648 584460971 /nfs/dbraw/zinc/46/09/71/584460971.db2.gz QKTNULYAVNGQBV-CYBMUJFWSA-N 2 2 294.399 -0.497 20 0 CBADLP CN1CCN(C(=O)[C@H]2CCC[NH+]2C)CC[N@@H+](C)CC1 ZINC000888979183 584509921 /nfs/dbraw/zinc/50/99/21/584509921.db2.gz JGPMIPJXUQJSDB-CYBMUJFWSA-N 2 2 268.405 -0.214 20 0 CBADLP CN1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC[NH+](C)CC1 ZINC000888979183 584509922 /nfs/dbraw/zinc/50/99/22/584509922.db2.gz JGPMIPJXUQJSDB-CYBMUJFWSA-N 2 2 268.405 -0.214 20 0 CBADLP CN1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC[NH+](C)CC1 ZINC000888979183 584509924 /nfs/dbraw/zinc/50/99/24/584509924.db2.gz JGPMIPJXUQJSDB-CYBMUJFWSA-N 2 2 268.405 -0.214 20 0 CBADLP CN1CCN(C(=O)CC[NH+]2CCOCC2)CC[N@H+](C)CC1 ZINC000888992247 584512607 /nfs/dbraw/zinc/51/26/07/584512607.db2.gz CPEAMFBNNOURDI-UHFFFAOYSA-N 2 2 298.431 -0.586 20 0 CBADLP CN1CCN(C(=O)CC[NH+]2CCOCC2)CC[N@@H+](C)CC1 ZINC000888992247 584512609 /nfs/dbraw/zinc/51/26/09/584512609.db2.gz CPEAMFBNNOURDI-UHFFFAOYSA-N 2 2 298.431 -0.586 20 0 CBADLP Cn1c[nH+]c(CNC(=O)NCCC[NH+]2CCOCC2)c1 ZINC000891429942 584581512 /nfs/dbraw/zinc/58/15/12/584581512.db2.gz ZVXIHEAMIGGRRA-UHFFFAOYSA-N 2 2 281.360 -0.058 20 0 CBADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000891527801 584584457 /nfs/dbraw/zinc/58/44/57/584584457.db2.gz LOLJSXUKZDIFAQ-JHJVBQTASA-N 2 2 283.420 -0.247 20 0 CBADLP NC(=O)C[NH+]1CCN(c2cc[nH+]cc2CO)CC1 ZINC000891618752 584588071 /nfs/dbraw/zinc/58/80/71/584588071.db2.gz GFFQSKBVYMHHGO-UHFFFAOYSA-N 2 2 250.302 -0.819 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000891895501 584593813 /nfs/dbraw/zinc/59/38/13/584593813.db2.gz KWWJIRZYHQMHQW-MELADBBJSA-N 2 2 296.415 -0.090 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000891895501 584593815 /nfs/dbraw/zinc/59/38/15/584593815.db2.gz KWWJIRZYHQMHQW-MELADBBJSA-N 2 2 296.415 -0.090 20 0 CBADLP CN(Cc1[nH]cc[nH+]1)C(=O)NCCCN1CC[NH2+]CC1 ZINC000891969512 584596106 /nfs/dbraw/zinc/59/61/06/584596106.db2.gz ZSJPYXCWJHZSIC-UHFFFAOYSA-N 2 2 280.376 -0.154 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000892287173 584612475 /nfs/dbraw/zinc/61/24/75/584612475.db2.gz IGYIFDABXMTPFJ-RWMBFGLXSA-N 2 2 282.388 -0.147 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000892287173 584612477 /nfs/dbraw/zinc/61/24/77/584612477.db2.gz IGYIFDABXMTPFJ-RWMBFGLXSA-N 2 2 282.388 -0.147 20 0 CBADLP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000892286755 584612493 /nfs/dbraw/zinc/61/24/93/584612493.db2.gz BDKYBUCZTXPVFP-GMTAPVOTSA-N 2 2 256.350 -0.552 20 0 CBADLP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000892286755 584612495 /nfs/dbraw/zinc/61/24/95/584612495.db2.gz BDKYBUCZTXPVFP-GMTAPVOTSA-N 2 2 256.350 -0.552 20 0 CBADLP C[N@@H+]1CCN(C(=O)N2C3CCC2(C[NH3+])CC3)[C@@H](C[NH3+])C1 ZINC000892456203 584617040 /nfs/dbraw/zinc/61/70/40/584617040.db2.gz WBQZTCZMAIXYBQ-LXVYMNJGSA-N 3 2 281.404 -0.363 20 0 CBADLP C[N@H+]1CCN(C(=O)N2C3CCC2(C[NH3+])CC3)[C@@H](C[NH3+])C1 ZINC000892456203 584617041 /nfs/dbraw/zinc/61/70/41/584617041.db2.gz WBQZTCZMAIXYBQ-LXVYMNJGSA-N 3 2 281.404 -0.363 20 0 CBADLP C[N@@H+]1CCN(C(=O)N2C3CCC2(C[NH3+])CC3)[C@H](C[NH3+])C1 ZINC000892456204 584617060 /nfs/dbraw/zinc/61/70/60/584617060.db2.gz WBQZTCZMAIXYBQ-MBHSVXNSSA-N 3 2 281.404 -0.363 20 0 CBADLP C[N@H+]1CCN(C(=O)N2C3CCC2(C[NH3+])CC3)[C@H](C[NH3+])C1 ZINC000892456204 584617061 /nfs/dbraw/zinc/61/70/61/584617061.db2.gz WBQZTCZMAIXYBQ-MBHSVXNSSA-N 3 2 281.404 -0.363 20 0 CBADLP CCO[C@@H]1C[C@@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)[C@H]1OC ZINC000892714801 584623577 /nfs/dbraw/zinc/62/35/77/584623577.db2.gz SYOIHCFEMNNOJP-YRGRVCCFSA-N 2 2 285.388 -0.458 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CC[C@H]3CO)C2)CC1 ZINC000893020648 584632729 /nfs/dbraw/zinc/63/27/29/584632729.db2.gz AYHFSWAOMMJFCM-JSGCOSHPSA-N 2 2 296.415 -0.069 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CC[C@H]3CO)C2)CC1 ZINC000893020648 584632730 /nfs/dbraw/zinc/63/27/30/584632730.db2.gz AYHFSWAOMMJFCM-JSGCOSHPSA-N 2 2 296.415 -0.069 20 0 CBADLP CN(C)c1cc(N2CC([N@@H+]3CC[C@@H](O)C3)C2)nc[nH+]1 ZINC000894350570 584656168 /nfs/dbraw/zinc/65/61/68/584656168.db2.gz WCKBBVDMNRSIEG-LLVKDONJSA-N 2 2 263.345 -0.202 20 0 CBADLP CN(C)c1cc(N2CC([N@H+]3CC[C@@H](O)C3)C2)nc[nH+]1 ZINC000894350570 584656170 /nfs/dbraw/zinc/65/61/70/584656170.db2.gz WCKBBVDMNRSIEG-LLVKDONJSA-N 2 2 263.345 -0.202 20 0 CBADLP C[NH+](C)CCN1CCN(c2nccn3c[nH+]cc23)CC1=O ZINC000894384205 584657322 /nfs/dbraw/zinc/65/73/22/584657322.db2.gz YZNSANBCPYCQBR-UHFFFAOYSA-N 2 2 288.355 -0.061 20 0 CBADLP COC(=O)[C@@H]1[C@H](C[NH2+]CC[N@@H+]2CC[C@H](O)C2)C1(F)F ZINC000895416229 584678614 /nfs/dbraw/zinc/67/86/14/584678614.db2.gz SMAXSTBKDPDVPI-GUBZILKMSA-N 2 2 278.299 -0.303 20 0 CBADLP COC(=O)[C@@H]1[C@H](C[NH2+]CC[N@H+]2CC[C@H](O)C2)C1(F)F ZINC000895416229 584678616 /nfs/dbraw/zinc/67/86/16/584678616.db2.gz SMAXSTBKDPDVPI-GUBZILKMSA-N 2 2 278.299 -0.303 20 0 CBADLP C[N@H+](CC[NH2+]C[C@H]1COC(C)(C)O1)CCOCCO ZINC000896023414 584691217 /nfs/dbraw/zinc/69/12/17/584691217.db2.gz MMPPVXWNLYXLOD-LBPRGKRZSA-N 2 2 276.377 -0.332 20 0 CBADLP C[N@@H+](CC[NH2+]C[C@H]1COC(C)(C)O1)CCOCCO ZINC000896023414 584691219 /nfs/dbraw/zinc/69/12/19/584691219.db2.gz MMPPVXWNLYXLOD-LBPRGKRZSA-N 2 2 276.377 -0.332 20 0 CBADLP C[C@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)[C@@H]1C[NH+](C)CCN1C ZINC000896558111 584702099 /nfs/dbraw/zinc/70/20/99/584702099.db2.gz YBAOEIYJCJUTMM-AVGNSLFASA-N 2 2 284.404 -0.933 20 0 CBADLP C[C@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)[C@@H]1C[NH+](C)CCN1C ZINC000896558111 584702101 /nfs/dbraw/zinc/70/21/01/584702101.db2.gz YBAOEIYJCJUTMM-AVGNSLFASA-N 2 2 284.404 -0.933 20 0 CBADLP C[C@H](NC(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1C[N@H+](C)CCN1C ZINC000896558111 584702102 /nfs/dbraw/zinc/70/21/02/584702102.db2.gz YBAOEIYJCJUTMM-AVGNSLFASA-N 2 2 284.404 -0.933 20 0 CBADLP C[C@H](NC(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1C[N@@H+](C)CCN1C ZINC000896558111 584702104 /nfs/dbraw/zinc/70/21/04/584702104.db2.gz YBAOEIYJCJUTMM-AVGNSLFASA-N 2 2 284.404 -0.933 20 0 CBADLP C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1C[NH+](C)CCO1 ZINC000897076986 584708259 /nfs/dbraw/zinc/70/82/59/584708259.db2.gz DZFVTZXXIXITPT-UTUOFQBUSA-N 2 2 255.362 -0.084 20 0 CBADLP C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)[C@@H]1C[NH+](C)CCO1 ZINC000897076986 584708261 /nfs/dbraw/zinc/70/82/61/584708261.db2.gz DZFVTZXXIXITPT-UTUOFQBUSA-N 2 2 255.362 -0.084 20 0 CBADLP C[C@@H](NC(=O)[C@H]1CCC[NH+]1C)[C@@H]1C[N@H+](C)CCO1 ZINC000897076986 584708262 /nfs/dbraw/zinc/70/82/62/584708262.db2.gz DZFVTZXXIXITPT-UTUOFQBUSA-N 2 2 255.362 -0.084 20 0 CBADLP C[C@@H](NC(=O)[C@H]1CCC[NH+]1C)[C@@H]1C[N@@H+](C)CCO1 ZINC000897076986 584708264 /nfs/dbraw/zinc/70/82/64/584708264.db2.gz DZFVTZXXIXITPT-UTUOFQBUSA-N 2 2 255.362 -0.084 20 0 CBADLP Cc1nc(N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)nc(N)[nH+]1 ZINC000897218299 584710069 /nfs/dbraw/zinc/71/00/69/584710069.db2.gz CDZGFSXNDGYQSZ-MNOVXSKESA-N 2 2 278.360 -0.202 20 0 CBADLP Cc1nc(N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)nc(N)[nH+]1 ZINC000897218299 584710071 /nfs/dbraw/zinc/71/00/71/584710071.db2.gz CDZGFSXNDGYQSZ-MNOVXSKESA-N 2 2 278.360 -0.202 20 0 CBADLP CC(C)[NH+]1CC(NC(=O)C2C[NH+]([C@H]3CCOC3)C2)C1 ZINC000897493107 584717947 /nfs/dbraw/zinc/71/79/47/584717947.db2.gz REAZIWZHXFJEIY-ZDUSSCGKSA-N 2 2 267.373 -0.084 20 0 CBADLP Cn1c[nH+]c(CCNC(=O)C2C[NH+]([C@H]3CCOC3)C2)c1 ZINC000897953559 584728362 /nfs/dbraw/zinc/72/83/62/584728362.db2.gz WYNIVORJEVCFPE-ZDUSSCGKSA-N 2 2 278.356 -0.201 20 0 CBADLP CC[C@H](C(=O)N[C@H](CO)c1c[nH+]cn1C)[NH+](C)C ZINC000898886531 584744274 /nfs/dbraw/zinc/74/42/74/584744274.db2.gz FKHCPBQXGSOYBA-NXEZZACHSA-N 2 2 254.334 -0.090 20 0 CBADLP CC[NH+](CC)CC(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000899057551 584749125 /nfs/dbraw/zinc/74/91/25/584749125.db2.gz RLPAYTNSSZAACP-UHFFFAOYSA-N 2 2 285.388 -0.107 20 0 CBADLP CC[NH+](CC)CC(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000899057551 584749127 /nfs/dbraw/zinc/74/91/27/584749127.db2.gz RLPAYTNSSZAACP-UHFFFAOYSA-N 2 2 285.388 -0.107 20 0 CBADLP C[C@@H](C(=O)NCC[N@@H+]1CCC2(C1)OCCO2)[NH+](C)C ZINC000899064583 584749908 /nfs/dbraw/zinc/74/99/08/584749908.db2.gz BAAIASJRAHPLAQ-NSHDSACASA-N 2 2 271.361 -0.499 20 0 CBADLP C[C@@H](C(=O)NCC[N@H+]1CCC2(C1)OCCO2)[NH+](C)C ZINC000899064583 584749910 /nfs/dbraw/zinc/74/99/10/584749910.db2.gz BAAIASJRAHPLAQ-NSHDSACASA-N 2 2 271.361 -0.499 20 0 CBADLP C[NH+](C)C1(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)CC1 ZINC000899064368 584749921 /nfs/dbraw/zinc/74/99/21/584749921.db2.gz WRWWRYBHHOTGRT-UHFFFAOYSA-N 2 2 283.372 -0.354 20 0 CBADLP C[NH+](C)C1(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)CC1 ZINC000899064368 584749923 /nfs/dbraw/zinc/74/99/23/584749923.db2.gz WRWWRYBHHOTGRT-UHFFFAOYSA-N 2 2 283.372 -0.354 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000899064760 584749964 /nfs/dbraw/zinc/74/99/64/584749964.db2.gz FLFUXMLYAPYNTA-UHFFFAOYSA-N 2 2 294.355 -0.243 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000899064760 584749966 /nfs/dbraw/zinc/74/99/66/584749966.db2.gz FLFUXMLYAPYNTA-UHFFFAOYSA-N 2 2 294.355 -0.243 20 0 CBADLP O=C(NCC[NH+]1CCOCC1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000899241538 584754179 /nfs/dbraw/zinc/75/41/79/584754179.db2.gz KFDDALVKWSQQRL-QWHCGFSZSA-N 2 2 282.388 -0.431 20 0 CBADLP O=C(NC[C@@H]1CCCO1)N1CC[NH2+]CC[NH2+]CC1 ZINC000899241294 584754263 /nfs/dbraw/zinc/75/42/63/584754263.db2.gz CMOZOMRFCFAIOM-NSHDSACASA-N 2 2 256.350 -0.630 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@]1(C)CCNC(=O)C1 ZINC000899267733 584756004 /nfs/dbraw/zinc/75/60/04/584756004.db2.gz VICIPLCWLWGMLM-OAHLLOKOSA-N 2 2 298.431 -0.098 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@]1(C)CCNC(=O)C1 ZINC000899267733 584756006 /nfs/dbraw/zinc/75/60/06/584756006.db2.gz VICIPLCWLWGMLM-OAHLLOKOSA-N 2 2 298.431 -0.098 20 0 CBADLP C[N@H+](CCO)CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000899738841 584778516 /nfs/dbraw/zinc/77/85/16/584778516.db2.gz NNCCIKTUFFEBAS-LLVKDONJSA-N 2 2 266.345 -0.514 20 0 CBADLP C[N@@H+](CCO)CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000899738841 584778518 /nfs/dbraw/zinc/77/85/18/584778518.db2.gz NNCCIKTUFFEBAS-LLVKDONJSA-N 2 2 266.345 -0.514 20 0 CBADLP C[N@H+](CCO)CCNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1 ZINC000899740354 584779145 /nfs/dbraw/zinc/77/91/45/584779145.db2.gz ISTIJVZVCFXUHI-ZDUSSCGKSA-N 2 2 295.387 -0.170 20 0 CBADLP C[N@@H+](CCO)CCNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1 ZINC000899740354 584779146 /nfs/dbraw/zinc/77/91/46/584779146.db2.gz ISTIJVZVCFXUHI-ZDUSSCGKSA-N 2 2 295.387 -0.170 20 0 CBADLP C[NH+](CCO)CCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC000899740354 584779148 /nfs/dbraw/zinc/77/91/48/584779148.db2.gz ISTIJVZVCFXUHI-ZDUSSCGKSA-N 2 2 295.387 -0.170 20 0 CBADLP C[N@H+](CCO)CCNC(=O)c1cc([C@@H]2CCC[NH+]2C)[nH]n1 ZINC000899740354 584779149 /nfs/dbraw/zinc/77/91/49/584779149.db2.gz ISTIJVZVCFXUHI-ZDUSSCGKSA-N 2 2 295.387 -0.170 20 0 CBADLP C[N@@H+](CCO)CCNC(=O)c1cc([C@@H]2CCC[NH+]2C)[nH]n1 ZINC000899740354 584779150 /nfs/dbraw/zinc/77/91/50/584779150.db2.gz ISTIJVZVCFXUHI-ZDUSSCGKSA-N 2 2 295.387 -0.170 20 0 CBADLP C[NH+](CCO)CCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)[nH]n1 ZINC000899740354 584779151 /nfs/dbraw/zinc/77/91/51/584779151.db2.gz ISTIJVZVCFXUHI-ZDUSSCGKSA-N 2 2 295.387 -0.170 20 0 CBADLP C[NH+](CCO)CCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)[nH]n1 ZINC000899740354 584779152 /nfs/dbraw/zinc/77/91/52/584779152.db2.gz ISTIJVZVCFXUHI-ZDUSSCGKSA-N 2 2 295.387 -0.170 20 0 CBADLP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCCCn1cc[nH+]c1 ZINC000899920533 584784867 /nfs/dbraw/zinc/78/48/67/584784867.db2.gz JSHGSBWSHBKYRW-WCQYABFASA-N 2 2 266.345 -0.156 20 0 CBADLP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCCCn1cc[nH+]c1 ZINC000899920533 584784869 /nfs/dbraw/zinc/78/48/69/584784869.db2.gz JSHGSBWSHBKYRW-WCQYABFASA-N 2 2 266.345 -0.156 20 0 CBADLP C/C(=C\C(=O)NCC[NH+](C)C)C[NH+]1CCOCC1 ZINC000899919798 584784891 /nfs/dbraw/zinc/78/48/91/584784891.db2.gz GFODNGHEGSLWCN-ZRDIBKRKSA-N 2 2 255.362 -0.057 20 0 CBADLP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCCC[NH+]1CCOCC1 ZINC000899921362 584785304 /nfs/dbraw/zinc/78/53/04/584785304.db2.gz VAALXHDGIYGHDO-JSGCOSHPSA-N 2 2 285.388 -0.720 20 0 CBADLP C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCCC[NH+]1CCOCC1 ZINC000899921362 584785305 /nfs/dbraw/zinc/78/53/05/584785305.db2.gz VAALXHDGIYGHDO-JSGCOSHPSA-N 2 2 285.388 -0.720 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000900210000 584795418 /nfs/dbraw/zinc/79/54/18/584795418.db2.gz WNRBBKULVVUUKR-BZPMIXESSA-N 2 2 285.388 -0.722 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC000900210000 584795420 /nfs/dbraw/zinc/79/54/20/584795420.db2.gz WNRBBKULVVUUKR-BZPMIXESSA-N 2 2 285.388 -0.722 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000900214172 584795430 /nfs/dbraw/zinc/79/54/30/584795430.db2.gz BDWCLQAIGNYTHP-NTZNESFSSA-N 2 2 266.345 -0.157 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC000900214172 584795432 /nfs/dbraw/zinc/79/54/32/584795432.db2.gz BDWCLQAIGNYTHP-NTZNESFSSA-N 2 2 266.345 -0.157 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C12CC[NH+](CC1)C2 ZINC000900210039 584795489 /nfs/dbraw/zinc/79/54/89/584795489.db2.gz XGLNYAIXLDEPME-GFCCVEGCSA-N 2 2 267.373 -0.081 20 0 CBADLP CC(C)(C)OC(=O)C(=O)N1CC[NH2+]CC[NH2+]CC1 ZINC000900476475 584806536 /nfs/dbraw/zinc/80/65/36/584806536.db2.gz ZWYYOTANSJQUFR-UHFFFAOYSA-N 2 2 257.334 -0.651 20 0 CBADLP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000900484277 584807035 /nfs/dbraw/zinc/80/70/35/584807035.db2.gz OTJJWINWOHTPBO-DOMZBBRYSA-N 2 2 299.415 -0.332 20 0 CBADLP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000900484277 584807037 /nfs/dbraw/zinc/80/70/37/584807037.db2.gz OTJJWINWOHTPBO-DOMZBBRYSA-N 2 2 299.415 -0.332 20 0 CBADLP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000900484277 584807039 /nfs/dbraw/zinc/80/70/39/584807039.db2.gz OTJJWINWOHTPBO-DOMZBBRYSA-N 2 2 299.415 -0.332 20 0 CBADLP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000900484277 584807041 /nfs/dbraw/zinc/80/70/41/584807041.db2.gz OTJJWINWOHTPBO-DOMZBBRYSA-N 2 2 299.415 -0.332 20 0 CBADLP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000900484286 584807067 /nfs/dbraw/zinc/80/70/67/584807067.db2.gz OTJJWINWOHTPBO-WFASDCNBSA-N 2 2 299.415 -0.332 20 0 CBADLP C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000900484286 584807070 /nfs/dbraw/zinc/80/70/70/584807070.db2.gz OTJJWINWOHTPBO-WFASDCNBSA-N 2 2 299.415 -0.332 20 0 CBADLP C[NH+]1C[C@@H](O)C[C@@]1(C)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000900484286 584807072 /nfs/dbraw/zinc/80/70/72/584807072.db2.gz OTJJWINWOHTPBO-WFASDCNBSA-N 2 2 299.415 -0.332 20 0 CBADLP C[NH+]1C[C@@H](O)C[C@@]1(C)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000900484286 584807074 /nfs/dbraw/zinc/80/70/74/584807074.db2.gz OTJJWINWOHTPBO-WFASDCNBSA-N 2 2 299.415 -0.332 20 0 CBADLP COCC[N@H+](C)CCNC(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000900516354 584809436 /nfs/dbraw/zinc/80/94/36/584809436.db2.gz BJSPFGGEFLBSBT-OWBHPGMISA-N 2 2 299.415 -0.041 20 0 CBADLP COCC[N@@H+](C)CCNC(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000900516354 584809438 /nfs/dbraw/zinc/80/94/38/584809438.db2.gz BJSPFGGEFLBSBT-OWBHPGMISA-N 2 2 299.415 -0.041 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)C12CC[NH+](CC1)C2 ZINC000900517860 584809727 /nfs/dbraw/zinc/80/97/27/584809727.db2.gz HLYANARRNXGSRW-UHFFFAOYSA-N 2 2 267.373 -0.127 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000900518588 584809782 /nfs/dbraw/zinc/80/97/82/584809782.db2.gz QCHZEXLMJSHUGI-HNNXBMFYSA-N 2 2 299.415 -0.376 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000900518588 584809784 /nfs/dbraw/zinc/80/97/84/584809784.db2.gz QCHZEXLMJSHUGI-HNNXBMFYSA-N 2 2 299.415 -0.376 20 0 CBADLP CN1CC[N@H+](C)[C@H](CNC(=O)C[C@@]2(O)CCC[NH+](C)C2)C1 ZINC000900659377 584819409 /nfs/dbraw/zinc/81/94/09/584819409.db2.gz MTIYHJRGDRZFGF-HIFRSBDPSA-N 2 2 298.431 -0.805 20 0 CBADLP CN1CC[N@@H+](C)[C@H](CNC(=O)C[C@@]2(O)CCC[NH+](C)C2)C1 ZINC000900659377 584819410 /nfs/dbraw/zinc/81/94/10/584819410.db2.gz MTIYHJRGDRZFGF-HIFRSBDPSA-N 2 2 298.431 -0.805 20 0 CBADLP CN1CC[NH+](C)[C@H](CNC(=O)C[C@@]2(O)CCC[N@H+](C)C2)C1 ZINC000900659377 584819412 /nfs/dbraw/zinc/81/94/12/584819412.db2.gz MTIYHJRGDRZFGF-HIFRSBDPSA-N 2 2 298.431 -0.805 20 0 CBADLP CN1CC[NH+](C)[C@H](CNC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)C1 ZINC000900659377 584819414 /nfs/dbraw/zinc/81/94/14/584819414.db2.gz MTIYHJRGDRZFGF-HIFRSBDPSA-N 2 2 298.431 -0.805 20 0 CBADLP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCC[NH+]1CCSCC1 ZINC000900673390 584820616 /nfs/dbraw/zinc/82/06/16/584820616.db2.gz QMRHDQIHEMIKJI-WCQYABFASA-N 2 2 287.429 -0.394 20 0 CBADLP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCC[NH+]1CCSCC1 ZINC000900673390 584820618 /nfs/dbraw/zinc/82/06/18/584820618.db2.gz QMRHDQIHEMIKJI-WCQYABFASA-N 2 2 287.429 -0.394 20 0 CBADLP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCC[NH+]1CCSCC1 ZINC000900673387 584820677 /nfs/dbraw/zinc/82/06/77/584820677.db2.gz QMRHDQIHEMIKJI-AAEUAGOBSA-N 2 2 287.429 -0.394 20 0 CBADLP C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCC[NH+]1CCSCC1 ZINC000900673387 584820679 /nfs/dbraw/zinc/82/06/79/584820679.db2.gz QMRHDQIHEMIKJI-AAEUAGOBSA-N 2 2 287.429 -0.394 20 0 CBADLP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000900718374 584824397 /nfs/dbraw/zinc/82/43/97/584824397.db2.gz SDDJJUXGTXYYHA-AAEUAGOBSA-N 2 2 264.329 -0.279 20 0 CBADLP C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000900718374 584824399 /nfs/dbraw/zinc/82/43/99/584824399.db2.gz SDDJJUXGTXYYHA-AAEUAGOBSA-N 2 2 264.329 -0.279 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000901036089 584842216 /nfs/dbraw/zinc/84/22/16/584842216.db2.gz PUMNDZPWQYCJCG-GFCCVEGCSA-N 2 2 264.329 -0.115 20 0 CBADLP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000901035994 584842293 /nfs/dbraw/zinc/84/22/93/584842293.db2.gz PEZWCZAISPQRBN-GZBFAFLISA-N 2 2 297.399 -0.625 20 0 CBADLP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000901035994 584842294 /nfs/dbraw/zinc/84/22/94/584842294.db2.gz PEZWCZAISPQRBN-GZBFAFLISA-N 2 2 297.399 -0.625 20 0 CBADLP CC[N@@H+]1CCN(C(=O)[C@]2(C)C[C@@H](O)C[NH+]2C)C[C@H]1C ZINC000901200860 584854959 /nfs/dbraw/zinc/85/49/59/584854959.db2.gz QUNJYZKEHIEVIF-BZPMIXESSA-N 2 2 269.389 -0.006 20 0 CBADLP CC[N@H+]1CCN(C(=O)[C@]2(C)C[C@@H](O)C[NH+]2C)C[C@H]1C ZINC000901200860 584854961 /nfs/dbraw/zinc/85/49/61/584854961.db2.gz QUNJYZKEHIEVIF-BZPMIXESSA-N 2 2 269.389 -0.006 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)C[C@H]1C ZINC000901200860 584854963 /nfs/dbraw/zinc/85/49/63/584854963.db2.gz QUNJYZKEHIEVIF-BZPMIXESSA-N 2 2 269.389 -0.006 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)C[C@H]1C ZINC000901200860 584854965 /nfs/dbraw/zinc/85/49/65/584854965.db2.gz QUNJYZKEHIEVIF-BZPMIXESSA-N 2 2 269.389 -0.006 20 0 CBADLP CC[N@@H+]1CCN(C(=O)[C@]2(C)C[C@H](O)C[NH+]2C)C[C@H]1C ZINC000901200861 584855055 /nfs/dbraw/zinc/85/50/55/584855055.db2.gz QUNJYZKEHIEVIF-DYEKYZERSA-N 2 2 269.389 -0.006 20 0 CBADLP CC[N@H+]1CCN(C(=O)[C@]2(C)C[C@H](O)C[NH+]2C)C[C@H]1C ZINC000901200861 584855057 /nfs/dbraw/zinc/85/50/57/584855057.db2.gz QUNJYZKEHIEVIF-DYEKYZERSA-N 2 2 269.389 -0.006 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)C[C@H]1C ZINC000901200861 584855059 /nfs/dbraw/zinc/85/50/59/584855059.db2.gz QUNJYZKEHIEVIF-DYEKYZERSA-N 2 2 269.389 -0.006 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)C[C@H]1C ZINC000901200861 584855060 /nfs/dbraw/zinc/85/50/60/584855060.db2.gz QUNJYZKEHIEVIF-DYEKYZERSA-N 2 2 269.389 -0.006 20 0 CBADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1N[C@@H]1C[NH2+]CC1(C)C ZINC000902444879 584876892 /nfs/dbraw/zinc/87/68/92/584876892.db2.gz OWBDJLVPBGHIPU-GMTAPVOTSA-N 2 2 255.362 -0.132 20 0 CBADLP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCS(=O)(=O)N1CCCC1 ZINC000902456101 584877271 /nfs/dbraw/zinc/87/72/71/584877271.db2.gz ZZFYKHBJLPGJQH-QWRGUYRKSA-N 2 2 261.391 -0.119 20 0 CBADLP O=C1O[C@@]2(CN1C[N@H+]1CC[C@H]1CO)C[NH+]1CCC2CC1 ZINC000902633359 584880832 /nfs/dbraw/zinc/88/08/32/584880832.db2.gz UHGXPWSRWFIVLG-GXTWGEPZSA-N 2 2 281.356 -0.073 20 0 CBADLP O=C1O[C@@]2(CN1C[N@@H+]1CC[C@H]1CO)C[NH+]1CCC2CC1 ZINC000902633359 584880834 /nfs/dbraw/zinc/88/08/34/584880834.db2.gz UHGXPWSRWFIVLG-GXTWGEPZSA-N 2 2 281.356 -0.073 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CCO)C2)CC1 ZINC000902861231 584885392 /nfs/dbraw/zinc/88/53/92/584885392.db2.gz KAEWXIXGJYPBBU-LLVKDONJSA-N 2 2 255.362 -0.347 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CCO)C2)CC1 ZINC000902861231 584885393 /nfs/dbraw/zinc/88/53/93/584885393.db2.gz KAEWXIXGJYPBBU-LLVKDONJSA-N 2 2 255.362 -0.347 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)OC1COC1 ZINC000902952848 584887433 /nfs/dbraw/zinc/88/74/33/584887433.db2.gz GRRWYTULXUUNGT-UHFFFAOYSA-N 2 2 259.350 -0.005 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)OC1COC1 ZINC000902952848 584887435 /nfs/dbraw/zinc/88/74/35/584887435.db2.gz GRRWYTULXUUNGT-UHFFFAOYSA-N 2 2 259.350 -0.005 20 0 CBADLP C[C@@H]1C[C@H]([NH2+]C[C@]2(CO)COCCN2C)C[N@@H+]1C1CC1 ZINC000903282430 584889980 /nfs/dbraw/zinc/88/99/80/584889980.db2.gz UAAHYDNBZLEMPM-IPYPFGDCSA-N 2 2 283.416 -0.106 20 0 CBADLP C[C@@H]1C[C@H]([NH2+]C[C@]2(CO)COCCN2C)C[N@H+]1C1CC1 ZINC000903282430 584889982 /nfs/dbraw/zinc/88/99/82/584889982.db2.gz UAAHYDNBZLEMPM-IPYPFGDCSA-N 2 2 283.416 -0.106 20 0 CBADLP Cc1cn2c(nc(C[N@H+](C)C[C@@H](O)C[NH3+])cc2=O)s1 ZINC000903454121 584890729 /nfs/dbraw/zinc/89/07/29/584890729.db2.gz VJOGSKJXERWMHG-JTQLQIEISA-N 2 2 282.369 -0.184 20 0 CBADLP Cc1cn2c(nc(C[N@@H+](C)C[C@@H](O)C[NH3+])cc2=O)s1 ZINC000903454121 584890730 /nfs/dbraw/zinc/89/07/30/584890730.db2.gz VJOGSKJXERWMHG-JTQLQIEISA-N 2 2 282.369 -0.184 20 0 CBADLP CO[C@@H]1CS(=O)(=O)[C@H]2C[N@H+](C[C@@H]3C[NH2+]C[C@H]3C)C[C@H]21 ZINC000903463571 584890882 /nfs/dbraw/zinc/89/08/82/584890882.db2.gz FGEZKWXGZMNDAS-SJHCENCUSA-N 2 2 288.413 -0.414 20 0 CBADLP CO[C@@H]1CS(=O)(=O)[C@H]2C[N@@H+](C[C@@H]3C[NH2+]C[C@H]3C)C[C@H]21 ZINC000903463571 584890883 /nfs/dbraw/zinc/89/08/83/584890883.db2.gz FGEZKWXGZMNDAS-SJHCENCUSA-N 2 2 288.413 -0.414 20 0 CBADLP C[NH2+]CC[N@H+](CCC(=O)N1CC[NH2+]CC1)C(C)C ZINC000903573248 584893602 /nfs/dbraw/zinc/89/36/02/584893602.db2.gz SXXJKYIKBTYWEC-UHFFFAOYSA-N 3 2 256.394 -0.262 20 0 CBADLP C[NH2+]CC[N@@H+](CCC(=O)N1CC[NH2+]CC1)C(C)C ZINC000903573248 584893603 /nfs/dbraw/zinc/89/36/03/584893603.db2.gz SXXJKYIKBTYWEC-UHFFFAOYSA-N 3 2 256.394 -0.262 20 0 CBADLP O=C1C[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CCN1 ZINC000903718276 584895583 /nfs/dbraw/zinc/89/55/83/584895583.db2.gz JSGBCTRYSORNRY-NSHDSACASA-N 2 2 253.346 -0.423 20 0 CBADLP O=C1C[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CCN1 ZINC000903718276 584895585 /nfs/dbraw/zinc/89/55/85/584895585.db2.gz JSGBCTRYSORNRY-NSHDSACASA-N 2 2 253.346 -0.423 20 0 CBADLP C[N@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[C@H]1CCS(=O)(=O)C1 ZINC000903716629 584895644 /nfs/dbraw/zinc/89/56/44/584895644.db2.gz AIWJUXZPMNIHDQ-RWMBFGLXSA-N 2 2 288.413 -0.126 20 0 CBADLP C[N@@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[C@H]1CCS(=O)(=O)C1 ZINC000903716629 584895645 /nfs/dbraw/zinc/89/56/45/584895645.db2.gz AIWJUXZPMNIHDQ-RWMBFGLXSA-N 2 2 288.413 -0.126 20 0 CBADLP C[C@@H]1C(=O)NCC[N@H+]1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903725784 584896024 /nfs/dbraw/zinc/89/60/24/584896024.db2.gz HJGGIHSMZFJRHF-WZRBSPASSA-N 2 2 253.346 -0.425 20 0 CBADLP C[C@@H]1C(=O)NCC[N@@H+]1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903725784 584896026 /nfs/dbraw/zinc/89/60/26/584896026.db2.gz HJGGIHSMZFJRHF-WZRBSPASSA-N 2 2 253.346 -0.425 20 0 CBADLP [NH3+]CC[N@H+](CCO)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903744322 584896792 /nfs/dbraw/zinc/89/67/92/584896792.db2.gz RBIAORRTKPKURN-LBPRGKRZSA-N 3 2 257.378 -0.602 20 0 CBADLP [NH3+]CC[N@@H+](CCO)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903744322 584896793 /nfs/dbraw/zinc/89/67/93/584896793.db2.gz RBIAORRTKPKURN-LBPRGKRZSA-N 3 2 257.378 -0.602 20 0 CBADLP COCC[N@@H+](CC(=O)OC)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903751597 584897384 /nfs/dbraw/zinc/89/73/84/584897384.db2.gz HASWUOZHMGVCOC-GXTWGEPZSA-N 2 2 286.372 -0.124 20 0 CBADLP COCC[N@H+](CC(=O)OC)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903751597 584897386 /nfs/dbraw/zinc/89/73/86/584897386.db2.gz HASWUOZHMGVCOC-GXTWGEPZSA-N 2 2 286.372 -0.124 20 0 CBADLP CN(CCCn1cc[nH+]c1)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000903756139 584897603 /nfs/dbraw/zinc/89/76/03/584897603.db2.gz JAILWYIXTUWTGQ-LBPRGKRZSA-N 2 2 293.371 -0.319 20 0 CBADLP C[C@H]1C[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC(=O)N1 ZINC000903769188 584898314 /nfs/dbraw/zinc/89/83/14/584898314.db2.gz ZIMKQEJNBKLQKG-RYUDHWBXSA-N 2 2 267.373 -0.035 20 0 CBADLP C[C@H]1C[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC(=O)N1 ZINC000903769188 584898316 /nfs/dbraw/zinc/89/83/16/584898316.db2.gz ZIMKQEJNBKLQKG-RYUDHWBXSA-N 2 2 267.373 -0.035 20 0 CBADLP OCC[NH2+][C@@H]1CCC[N@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903770300 584898401 /nfs/dbraw/zinc/89/84/01/584898401.db2.gz FQMDXYLFYSWREN-ILXRZTDVSA-N 3 2 283.416 -0.199 20 0 CBADLP OCC[NH2+][C@@H]1CCC[N@@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903770300 584898403 /nfs/dbraw/zinc/89/84/03/584898403.db2.gz FQMDXYLFYSWREN-ILXRZTDVSA-N 3 2 283.416 -0.199 20 0 CBADLP O=S1(=O)CCCN1CC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903769917 584898414 /nfs/dbraw/zinc/89/84/14/584898414.db2.gz RKBJAGGAMWDCCI-NSHDSACASA-N 2 2 273.402 -0.104 20 0 CBADLP CC1CC(C[NH+]2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC000903787424 584899641 /nfs/dbraw/zinc/89/96/41/584899641.db2.gz WDIVGJYVZMSOTH-UHFFFAOYSA-N 2 2 287.429 -0.048 20 0 CBADLP [NH3+][C@]1(CO)CCC[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903786444 584899745 /nfs/dbraw/zinc/89/97/45/584899745.db2.gz IYWTVHADTMYGMJ-UKRRQHHQSA-N 3 2 283.416 -0.069 20 0 CBADLP [NH3+][C@]1(CO)CCC[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903786444 584899746 /nfs/dbraw/zinc/89/97/46/584899746.db2.gz IYWTVHADTMYGMJ-UKRRQHHQSA-N 3 2 283.416 -0.069 20 0 CBADLP [NH3+][C@]1(CO)CCC[N@H+](C[C@@H]2C[C@H]3COC[C@@H]3O2)C1 ZINC000903788425 584899767 /nfs/dbraw/zinc/89/97/67/584899767.db2.gz KNGQOVRJHKZWPR-ZDEQEGDKSA-N 2 2 256.346 -0.424 20 0 CBADLP [NH3+][C@]1(CO)CCC[N@@H+](C[C@@H]2C[C@H]3COC[C@@H]3O2)C1 ZINC000903788425 584899768 /nfs/dbraw/zinc/89/97/68/584899768.db2.gz KNGQOVRJHKZWPR-ZDEQEGDKSA-N 2 2 256.346 -0.424 20 0 CBADLP Cn1c(C[N@@H+]2CCC[C@H]3CC[C@]32C[NH3+])cc(=O)n(C)c1=O ZINC000903799372 584900055 /nfs/dbraw/zinc/90/00/55/584900055.db2.gz RNRJCEMSQOYNRP-NHYWBVRUSA-N 2 2 292.383 -0.213 20 0 CBADLP Cn1c(C[N@H+]2CCC[C@H]3CC[C@]32C[NH3+])cc(=O)n(C)c1=O ZINC000903799372 584900056 /nfs/dbraw/zinc/90/00/56/584900056.db2.gz RNRJCEMSQOYNRP-NHYWBVRUSA-N 2 2 292.383 -0.213 20 0 CBADLP Cn1c(C[N@@H+]2CCC[C@@H]3CC[C@@]32C[NH3+])cc(=O)n(C)c1=O ZINC000903799371 584900075 /nfs/dbraw/zinc/90/00/75/584900075.db2.gz RNRJCEMSQOYNRP-IAQYHMDHSA-N 2 2 292.383 -0.213 20 0 CBADLP Cn1c(C[N@H+]2CCC[C@@H]3CC[C@@]32C[NH3+])cc(=O)n(C)c1=O ZINC000903799371 584900076 /nfs/dbraw/zinc/90/00/76/584900076.db2.gz RNRJCEMSQOYNRP-IAQYHMDHSA-N 2 2 292.383 -0.213 20 0 CBADLP [NH3+]C[C@@]12CC[C@@H]1CCC[N@@H+]2CCN1C(=O)CNC1=O ZINC000903796535 584900110 /nfs/dbraw/zinc/90/01/10/584900110.db2.gz AGJYVNNUUWTWNN-GWCFXTLKSA-N 2 2 266.345 -0.259 20 0 CBADLP [NH3+]C[C@@]12CC[C@@H]1CCC[N@H+]2CCN1C(=O)CNC1=O ZINC000903796535 584900111 /nfs/dbraw/zinc/90/01/11/584900111.db2.gz AGJYVNNUUWTWNN-GWCFXTLKSA-N 2 2 266.345 -0.259 20 0 CBADLP CNS(=O)(=O)CCC[N@H+](C)C1(C[NH3+])CCOCC1 ZINC000903808283 584900400 /nfs/dbraw/zinc/90/04/00/584900400.db2.gz GNEYKMIXOFUOLT-UHFFFAOYSA-N 2 2 279.406 -0.635 20 0 CBADLP CNS(=O)(=O)CCC[N@@H+](C)C1(C[NH3+])CCOCC1 ZINC000903808283 584900402 /nfs/dbraw/zinc/90/04/02/584900402.db2.gz GNEYKMIXOFUOLT-UHFFFAOYSA-N 2 2 279.406 -0.635 20 0 CBADLP CS(=O)(=O)NCC[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903818150 584900795 /nfs/dbraw/zinc/90/07/95/584900795.db2.gz YHRTXRGWRNTDBG-UHFFFAOYSA-N 2 2 291.417 -0.620 20 0 CBADLP CS(=O)(=O)NCC[N@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903818150 584900796 /nfs/dbraw/zinc/90/07/96/584900796.db2.gz YHRTXRGWRNTDBG-UHFFFAOYSA-N 2 2 291.417 -0.620 20 0 CBADLP O=C1NCCN1CC1CC[NH+](C[C@H]2C[NH2+]CCO2)CC1 ZINC000903824181 584900829 /nfs/dbraw/zinc/90/08/29/584900829.db2.gz MRKFMWIKUMBNOF-CYBMUJFWSA-N 2 2 282.388 -0.288 20 0 CBADLP CS(=O)(=O)C[C@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000903823561 584900833 /nfs/dbraw/zinc/90/08/33/584900833.db2.gz HPZCRCBEAYSIRI-GRYCIOLGSA-N 2 2 276.402 -0.141 20 0 CBADLP CS(=O)(=O)C[C@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000903823561 584900835 /nfs/dbraw/zinc/90/08/35/584900835.db2.gz HPZCRCBEAYSIRI-GRYCIOLGSA-N 2 2 276.402 -0.141 20 0 CBADLP C[C@@](Cn1cccn1)([NH2+]CCC[NH2+]C1CC1)C(N)=O ZINC000903829313 584901262 /nfs/dbraw/zinc/90/12/62/584901262.db2.gz CPYOMOOYWBBDBE-ZDUSSCGKSA-N 2 2 265.361 -0.141 20 0 CBADLP CNS(=O)(=O)CCC[N@@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903855594 584902098 /nfs/dbraw/zinc/90/20/98/584902098.db2.gz NPUBPGCAZTUZDG-WDEREUQCSA-N 2 2 261.391 -0.261 20 0 CBADLP CNS(=O)(=O)CCC[N@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903855594 584902099 /nfs/dbraw/zinc/90/20/99/584902099.db2.gz NPUBPGCAZTUZDG-WDEREUQCSA-N 2 2 261.391 -0.261 20 0 CBADLP [NH3+]C[C@@]12CC[C@H]1CC[N@@H+]2CCN1C(=O)CNC1=O ZINC000903856872 584902221 /nfs/dbraw/zinc/90/22/21/584902221.db2.gz SETHXGSHPYAXIW-CABZTGNLSA-N 2 2 252.318 -0.649 20 0 CBADLP [NH3+]C[C@@]12CC[C@H]1CC[N@H+]2CCN1C(=O)CNC1=O ZINC000903856872 584902222 /nfs/dbraw/zinc/90/22/22/584902222.db2.gz SETHXGSHPYAXIW-CABZTGNLSA-N 2 2 252.318 -0.649 20 0 CBADLP CN1CC(=O)N(CC[N@@H+]2CC[C@H]3CC[C@@]32C[NH3+])C1=O ZINC000903865200 584902607 /nfs/dbraw/zinc/90/26/07/584902607.db2.gz YROQPYVQQYRNFA-ZWNOBZJWSA-N 2 2 266.345 -0.306 20 0 CBADLP CN1CC(=O)N(CC[N@H+]2CC[C@H]3CC[C@@]32C[NH3+])C1=O ZINC000903865200 584902609 /nfs/dbraw/zinc/90/26/09/584902609.db2.gz YROQPYVQQYRNFA-ZWNOBZJWSA-N 2 2 266.345 -0.306 20 0 CBADLP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2CCN1CCCS1(=O)=O ZINC000903864760 584902622 /nfs/dbraw/zinc/90/26/22/584902622.db2.gz WNRVTNPFOBOZDX-VXGBXAGGSA-N 2 2 273.402 -0.165 20 0 CBADLP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2CCN1CCCS1(=O)=O ZINC000903864760 584902623 /nfs/dbraw/zinc/90/26/23/584902623.db2.gz WNRVTNPFOBOZDX-VXGBXAGGSA-N 2 2 273.402 -0.165 20 0 CBADLP COCCOC[C@H](O)C[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903871441 584902767 /nfs/dbraw/zinc/90/27/67/584902767.db2.gz UORPMYZAPGBMFQ-CHWSQXEVSA-N 2 2 258.362 -0.162 20 0 CBADLP COCCOC[C@H](O)C[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903871441 584902768 /nfs/dbraw/zinc/90/27/68/584902768.db2.gz UORPMYZAPGBMFQ-CHWSQXEVSA-N 2 2 258.362 -0.162 20 0 CBADLP Cc1c(C[C@H](C[NH3+])C[N@H+]2C[C@@H](CO)OC[C@@H]2C)cnn1C ZINC000903898379 584904192 /nfs/dbraw/zinc/90/41/92/584904192.db2.gz KMHWEXVWWPXAJZ-LNSITVRQSA-N 2 2 296.415 -0.072 20 0 CBADLP Cc1c(C[C@H](C[NH3+])C[N@@H+]2C[C@@H](CO)OC[C@@H]2C)cnn1C ZINC000903898379 584904193 /nfs/dbraw/zinc/90/41/93/584904193.db2.gz KMHWEXVWWPXAJZ-LNSITVRQSA-N 2 2 296.415 -0.072 20 0 CBADLP CN(C[C@@H]([NH3+])CC(F)F)C[C@H](O)C[NH+]1CCOCC1 ZINC000903895409 584904229 /nfs/dbraw/zinc/90/42/29/584904229.db2.gz NIFQOGOCQJSSAG-QWRGUYRKSA-N 2 2 281.347 -0.406 20 0 CBADLP C[N@@H+](C[C@H](O)CN1CCOCC1)C[C@@H]([NH3+])CC(F)F ZINC000903895409 584904230 /nfs/dbraw/zinc/90/42/30/584904230.db2.gz NIFQOGOCQJSSAG-QWRGUYRKSA-N 2 2 281.347 -0.406 20 0 CBADLP C[N@H+](C[C@H](O)CN1CCOCC1)C[C@@H]([NH3+])CC(F)F ZINC000903895409 584904231 /nfs/dbraw/zinc/90/42/31/584904231.db2.gz NIFQOGOCQJSSAG-QWRGUYRKSA-N 2 2 281.347 -0.406 20 0 CBADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CC(N)=O)C1 ZINC000969659152 614353747 /nfs/dbraw/zinc/35/37/47/614353747.db2.gz DCRPHGQPZHWBBI-AAEUAGOBSA-N 2 2 296.415 -0.219 20 0 CBADLP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CC(N)=O)C1 ZINC000969659152 614353748 /nfs/dbraw/zinc/35/37/48/614353748.db2.gz DCRPHGQPZHWBBI-AAEUAGOBSA-N 2 2 296.415 -0.219 20 0 CBADLP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CC(N)=O)C1 ZINC000980484061 615113623 /nfs/dbraw/zinc/11/36/23/615113623.db2.gz VXYROIOQUTZHSF-OLZOCXBDSA-N 2 2 296.415 -0.121 20 0 CBADLP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CC(N)=O)C1 ZINC000980484061 615113625 /nfs/dbraw/zinc/11/36/25/615113625.db2.gz VXYROIOQUTZHSF-OLZOCXBDSA-N 2 2 296.415 -0.121 20 0 CBADLP CC[NH+]1CCCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CC(N)=O)C1 ZINC000980484061 615113626 /nfs/dbraw/zinc/11/36/26/615113626.db2.gz VXYROIOQUTZHSF-OLZOCXBDSA-N 2 2 296.415 -0.121 20 0 CBADLP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CC(N)=O)C1 ZINC000980484063 615114486 /nfs/dbraw/zinc/11/44/86/615114486.db2.gz VXYROIOQUTZHSF-STQMWFEESA-N 2 2 296.415 -0.121 20 0 CBADLP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CC(N)=O)C1 ZINC000980484063 615114487 /nfs/dbraw/zinc/11/44/87/615114487.db2.gz VXYROIOQUTZHSF-STQMWFEESA-N 2 2 296.415 -0.121 20 0 CBADLP CC[NH+]1CCCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CC(N)=O)C1 ZINC000980484063 615114488 /nfs/dbraw/zinc/11/44/88/615114488.db2.gz VXYROIOQUTZHSF-STQMWFEESA-N 2 2 296.415 -0.121 20 0 CBADLP CC[NH+]1CCCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CC(N)=O)C1 ZINC000980484063 615114489 /nfs/dbraw/zinc/11/44/89/615114489.db2.gz VXYROIOQUTZHSF-STQMWFEESA-N 2 2 296.415 -0.121 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000980539336 615393283 /nfs/dbraw/zinc/39/32/83/615393283.db2.gz QBLSXPRWQUMUBX-NEPJUHHUSA-N 2 2 293.371 -0.320 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000980539336 615393287 /nfs/dbraw/zinc/39/32/87/615393287.db2.gz QBLSXPRWQUMUBX-NEPJUHHUSA-N 2 2 293.371 -0.320 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2C[NH+](CC(N)=O)C2)CC[N@@H+]1C ZINC000969690671 615585370 /nfs/dbraw/zinc/58/53/70/615585370.db2.gz QHCBWQYIUPRVPT-KGYLQXTDSA-N 2 2 296.415 -0.362 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2C[NH+](CC(N)=O)C2)CC[N@H+]1C ZINC000969690671 615585371 /nfs/dbraw/zinc/58/53/71/615585371.db2.gz QHCBWQYIUPRVPT-KGYLQXTDSA-N 2 2 296.415 -0.362 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000980839565 615619233 /nfs/dbraw/zinc/61/92/33/615619233.db2.gz JMYLOCOHCBGGJP-OLZOCXBDSA-N 2 2 296.415 -0.121 20 0 CBADLP CC[C@H](C(N)=O)[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000980839565 615619235 /nfs/dbraw/zinc/61/92/35/615619235.db2.gz JMYLOCOHCBGGJP-OLZOCXBDSA-N 2 2 296.415 -0.121 20 0 CBADLP CC[C@H](C(N)=O)[NH+]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000980839565 615619237 /nfs/dbraw/zinc/61/92/37/615619237.db2.gz JMYLOCOHCBGGJP-OLZOCXBDSA-N 2 2 296.415 -0.121 20 0 CBADLP CC[C@H](C(N)=O)[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000980839565 615619239 /nfs/dbraw/zinc/61/92/39/615619239.db2.gz JMYLOCOHCBGGJP-OLZOCXBDSA-N 2 2 296.415 -0.121 20 0 CBADLP C[NH+](C)Cc1cc(C(=O)N2CCC[N@H+](CCO)CC2)no1 ZINC000981515621 615952661 /nfs/dbraw/zinc/95/26/61/615952661.db2.gz WVEYHSUEYHSSLE-UHFFFAOYSA-N 2 2 296.371 -0.124 20 0 CBADLP C[NH+](C)Cc1cc(C(=O)N2CCC[N@@H+](CCO)CC2)no1 ZINC000981515621 615952663 /nfs/dbraw/zinc/95/26/63/615952663.db2.gz WVEYHSUEYHSSLE-UHFFFAOYSA-N 2 2 296.371 -0.124 20 0 CBADLP C[NH+](C)Cc1cc(C(=O)N2CC[C@@H]([NH2+]CC(N)=O)C2)no1 ZINC000969157428 615953220 /nfs/dbraw/zinc/95/32/20/615953220.db2.gz YFCQPMWWIKYDFG-SECBINFHSA-N 2 2 295.343 -0.974 20 0 CBADLP C[N@H+](CC(N)=O)[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000971802100 616055435 /nfs/dbraw/zinc/05/54/35/616055435.db2.gz YTGYAJNGRRUBNV-RYUDHWBXSA-N 2 2 282.388 -0.511 20 0 CBADLP C[N@@H+](CC(N)=O)[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000971802100 616055436 /nfs/dbraw/zinc/05/54/36/616055436.db2.gz YTGYAJNGRRUBNV-RYUDHWBXSA-N 2 2 282.388 -0.511 20 0 CBADLP C[NH+](CC(N)=O)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000971802100 616055437 /nfs/dbraw/zinc/05/54/37/616055437.db2.gz YTGYAJNGRRUBNV-RYUDHWBXSA-N 2 2 282.388 -0.511 20 0 CBADLP C[NH+](CC(N)=O)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000971802100 616055438 /nfs/dbraw/zinc/05/54/38/616055438.db2.gz YTGYAJNGRRUBNV-RYUDHWBXSA-N 2 2 282.388 -0.511 20 0 CBADLP C[N@H+](CCO)[C@@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000971821830 616110989 /nfs/dbraw/zinc/11/09/89/616110989.db2.gz PUGZKNYFJLHPRW-QWHCGFSZSA-N 2 2 292.383 -0.030 20 0 CBADLP C[N@@H+](CCO)[C@@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000971821830 616110990 /nfs/dbraw/zinc/11/09/90/616110990.db2.gz PUGZKNYFJLHPRW-QWHCGFSZSA-N 2 2 292.383 -0.030 20 0 CBADLP C[NH+]1CCC(C(=O)N2CCC[N@H+](CC(N)=O)CC2)CC1 ZINC000981872790 616166329 /nfs/dbraw/zinc/16/63/29/616166329.db2.gz XFOPHHNFDPCDII-UHFFFAOYSA-N 2 2 282.388 -0.652 20 0 CBADLP C[NH+]1CCC(C(=O)N2CCC[N@@H+](CC(N)=O)CC2)CC1 ZINC000981872790 616166330 /nfs/dbraw/zinc/16/63/30/616166330.db2.gz XFOPHHNFDPCDII-UHFFFAOYSA-N 2 2 282.388 -0.652 20 0 CBADLP C[NH+]1CCC(C(=O)N[C@H]2C[N@H+](CC(N)=O)CC2(C)C)CC1 ZINC000974994616 616167640 /nfs/dbraw/zinc/16/76/40/616167640.db2.gz LBNKUEXZAAVWFF-LBPRGKRZSA-N 2 2 296.415 -0.360 20 0 CBADLP C[NH+]1CCC(C(=O)N[C@H]2C[N@@H+](CC(N)=O)CC2(C)C)CC1 ZINC000974994616 616167641 /nfs/dbraw/zinc/16/76/41/616167641.db2.gz LBNKUEXZAAVWFF-LBPRGKRZSA-N 2 2 296.415 -0.360 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CC(N)=O)CC1(C)C ZINC000940625001 616193814 /nfs/dbraw/zinc/19/38/14/616193814.db2.gz MCENTUMPVWEITP-VXGBXAGGSA-N 2 2 296.415 -0.217 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CC(N)=O)CC1(C)C ZINC000940625001 616193815 /nfs/dbraw/zinc/19/38/15/616193815.db2.gz MCENTUMPVWEITP-VXGBXAGGSA-N 2 2 296.415 -0.217 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)CC1(C)C ZINC000940625001 616193816 /nfs/dbraw/zinc/19/38/16/616193816.db2.gz MCENTUMPVWEITP-VXGBXAGGSA-N 2 2 296.415 -0.217 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)CC1(C)C ZINC000940625001 616193817 /nfs/dbraw/zinc/19/38/17/616193817.db2.gz MCENTUMPVWEITP-VXGBXAGGSA-N 2 2 296.415 -0.217 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]CCF)C2)C1 ZINC000968303004 616251522 /nfs/dbraw/zinc/25/15/22/616251522.db2.gz PVTQBTUBKPNIHL-GHMZBOCLSA-N 2 2 259.325 -0.523 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]CCF)C2)C1 ZINC000968303004 616251523 /nfs/dbraw/zinc/25/15/23/616251523.db2.gz PVTQBTUBKPNIHL-GHMZBOCLSA-N 2 2 259.325 -0.523 20 0 CBADLP C[N@H+](CCF)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000971268550 616251784 /nfs/dbraw/zinc/25/17/84/616251784.db2.gz WHMQXPFSFYQWLT-NWDGAFQWSA-N 2 2 273.352 -0.181 20 0 CBADLP C[N@@H+](CCF)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000971268550 616251785 /nfs/dbraw/zinc/25/17/85/616251785.db2.gz WHMQXPFSFYQWLT-NWDGAFQWSA-N 2 2 273.352 -0.181 20 0 CBADLP C[NH+](CCF)[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000971268550 616251786 /nfs/dbraw/zinc/25/17/86/616251786.db2.gz WHMQXPFSFYQWLT-NWDGAFQWSA-N 2 2 273.352 -0.181 20 0 CBADLP C[NH+](CCF)[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000971268550 616251787 /nfs/dbraw/zinc/25/17/87/616251787.db2.gz WHMQXPFSFYQWLT-NWDGAFQWSA-N 2 2 273.352 -0.181 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCO)CC2(C)C)C1 ZINC000972991278 616253036 /nfs/dbraw/zinc/25/30/36/616253036.db2.gz HQOQZLNRANXLHX-VXGBXAGGSA-N 2 2 285.388 -0.864 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCO)CC2(C)C)C1 ZINC000972991278 616253037 /nfs/dbraw/zinc/25/30/37/616253037.db2.gz HQOQZLNRANXLHX-VXGBXAGGSA-N 2 2 285.388 -0.864 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCO)CC2(C)C)C1 ZINC000972991278 616253038 /nfs/dbraw/zinc/25/30/38/616253038.db2.gz HQOQZLNRANXLHX-VXGBXAGGSA-N 2 2 285.388 -0.864 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCO)CC2(C)C)C1 ZINC000972991278 616253039 /nfs/dbraw/zinc/25/30/39/616253039.db2.gz HQOQZLNRANXLHX-VXGBXAGGSA-N 2 2 285.388 -0.864 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[NH+](CCCO)CC2(C)C)C1 ZINC000972991031 616253211 /nfs/dbraw/zinc/25/32/11/616253211.db2.gz CNOXLUBDTIQXDZ-OLZOCXBDSA-N 2 2 299.415 -0.474 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)N[C@H]2C[N@H+](CCCO)CC2(C)C)C1 ZINC000972991031 616253213 /nfs/dbraw/zinc/25/32/13/616253213.db2.gz CNOXLUBDTIQXDZ-OLZOCXBDSA-N 2 2 299.415 -0.474 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)N[C@H]2C[N@@H+](CCCO)CC2(C)C)C1 ZINC000972991031 616253214 /nfs/dbraw/zinc/25/32/14/616253214.db2.gz CNOXLUBDTIQXDZ-OLZOCXBDSA-N 2 2 299.415 -0.474 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N2CCC[NH+](CCCO)CC2)C1 ZINC000980893140 616257679 /nfs/dbraw/zinc/25/76/79/616257679.db2.gz GHOCKSGGXGKZBW-ZDUSSCGKSA-N 2 2 285.388 -0.766 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N2CCC[NH+](CCCO)CC2)C1 ZINC000980893140 616257680 /nfs/dbraw/zinc/25/76/80/616257680.db2.gz GHOCKSGGXGKZBW-ZDUSSCGKSA-N 2 2 285.388 -0.766 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N2CCC[N@H+](CCCO)CC2)C1 ZINC000980893140 616257681 /nfs/dbraw/zinc/25/76/81/616257681.db2.gz GHOCKSGGXGKZBW-ZDUSSCGKSA-N 2 2 285.388 -0.766 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N2CCC[N@@H+](CCCO)CC2)C1 ZINC000980893140 616257682 /nfs/dbraw/zinc/25/76/82/616257682.db2.gz GHOCKSGGXGKZBW-ZDUSSCGKSA-N 2 2 285.388 -0.766 20 0 CBADLP C[N@H+](CCF)[C@@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000971268549 616258083 /nfs/dbraw/zinc/25/80/83/616258083.db2.gz WHMQXPFSFYQWLT-NEPJUHHUSA-N 2 2 273.352 -0.181 20 0 CBADLP C[N@@H+](CCF)[C@@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000971268549 616258084 /nfs/dbraw/zinc/25/80/84/616258084.db2.gz WHMQXPFSFYQWLT-NEPJUHHUSA-N 2 2 273.352 -0.181 20 0 CBADLP C[NH+](CCF)[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000971268549 616258085 /nfs/dbraw/zinc/25/80/85/616258085.db2.gz WHMQXPFSFYQWLT-NEPJUHHUSA-N 2 2 273.352 -0.181 20 0 CBADLP C[NH+](CCF)[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000971268549 616258086 /nfs/dbraw/zinc/25/80/86/616258086.db2.gz WHMQXPFSFYQWLT-NEPJUHHUSA-N 2 2 273.352 -0.181 20 0 CBADLP CN1CC[C@H]([NH2+][C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1=O ZINC000970341297 616418138 /nfs/dbraw/zinc/41/81/38/616418138.db2.gz MXQSUXMKHQNJBT-MNOVXSKESA-N 2 2 291.355 -0.627 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](C)C1 ZINC000945806562 616614295 /nfs/dbraw/zinc/61/42/95/616614295.db2.gz FFVHVVNHNCSHMZ-NWDGAFQWSA-N 2 2 293.371 -0.544 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](C)C1 ZINC000945806562 616614297 /nfs/dbraw/zinc/61/42/97/616614297.db2.gz FFVHVVNHNCSHMZ-NWDGAFQWSA-N 2 2 293.371 -0.544 20 0 CBADLP COC[C@@H](C)[NH+]1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000951754480 616803750 /nfs/dbraw/zinc/80/37/50/616803750.db2.gz FXGLMZGREPZGGF-CQSZACIVSA-N 2 2 299.415 -0.112 20 0 CBADLP CO[C@H](C)C[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000980893585 617061699 /nfs/dbraw/zinc/06/16/99/617061699.db2.gz NIBMMLZAEJXYPW-ZIAGYGMSSA-N 2 2 299.415 -0.114 20 0 CBADLP CO[C@H](C)C[NH+]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000980893585 617061706 /nfs/dbraw/zinc/06/17/06/617061706.db2.gz NIBMMLZAEJXYPW-ZIAGYGMSSA-N 2 2 299.415 -0.114 20 0 CBADLP CO[C@H](C)C[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000980893585 617061710 /nfs/dbraw/zinc/06/17/10/617061710.db2.gz NIBMMLZAEJXYPW-ZIAGYGMSSA-N 2 2 299.415 -0.114 20 0 CBADLP C[NH+](C)CC(=O)NCC[C@@H]1CCN(C(=O)C[NH+](C)C)C1 ZINC000923149197 658163877 /nfs/dbraw/zinc/16/38/77/658163877.db2.gz DWSVCPXPNSCDIB-GFCCVEGCSA-N 2 2 284.404 -0.536 20 0 CBADLP C[C@@H]1CCCN(S(=O)(=O)N2CC[NH2+]CC[NH2+]CC2)C1 ZINC000923690390 658396867 /nfs/dbraw/zinc/39/68/67/658396867.db2.gz IUDVBEKMLSXKQG-GFCCVEGCSA-N 2 2 290.433 -0.542 20 0 CBADLP O=S(=O)(N1CCCCC1)N1CC[NH2+]CC[NH2+]CC1 ZINC000923690233 658397476 /nfs/dbraw/zinc/39/74/76/658397476.db2.gz CVKPVPQQTKOYLM-UHFFFAOYSA-N 2 2 276.406 -0.788 20 0 CBADLP COC(=O)c1cn(CC[NH2+][C@H]2CC[NH2+]C23CCC3)nn1 ZINC000925667860 658864951 /nfs/dbraw/zinc/86/49/51/658864951.db2.gz SRUMBKUDYCYNKF-NSHDSACASA-N 2 2 279.344 -0.061 20 0 CBADLP NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000969136683 658953413 /nfs/dbraw/zinc/95/34/13/658953413.db2.gz YSHSBMQWMKQEDS-WDEREUQCSA-N 2 2 291.355 -0.879 20 0 CBADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000935018033 659815791 /nfs/dbraw/zinc/81/57/91/659815791.db2.gz VKYNBYVQMBTLPG-KBPBESRZSA-N 2 2 280.416 -0.025 20 0 CBADLP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000935018033 659815792 /nfs/dbraw/zinc/81/57/92/659815792.db2.gz VKYNBYVQMBTLPG-KBPBESRZSA-N 2 2 280.416 -0.025 20 0 CBADLP Cn1ncc2c1nc[nH+]c2NC[C@H](O)C[NH+](C)C ZINC000029587273 655998400 /nfs/dbraw/zinc/99/84/00/655998400.db2.gz FNZAPRXDRZPXKZ-QMMMGPOBSA-N 2 2 250.306 -0.302 20 0 CBADLP O=C([C@H]1CC12CC[NH2+]CC2)N1CC[NH+](CCO)CC1 ZINC000070252376 656040706 /nfs/dbraw/zinc/04/07/06/656040706.db2.gz CLUSPRMFBMXPFF-GFCCVEGCSA-N 2 2 267.373 -0.487 20 0 CBADLP CCOCC[N@H+](C)CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000092885573 656060310 /nfs/dbraw/zinc/06/03/10/656060310.db2.gz SJZSAPOLCNKHJB-UHFFFAOYSA-N 2 2 298.387 -0.072 20 0 CBADLP CCOCC[N@@H+](C)CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000092885573 656060312 /nfs/dbraw/zinc/06/03/12/656060312.db2.gz SJZSAPOLCNKHJB-UHFFFAOYSA-N 2 2 298.387 -0.072 20 0 CBADLP CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000229087240 656111238 /nfs/dbraw/zinc/11/12/38/656111238.db2.gz OLWRIQDSMOACLV-UWVGGRQHSA-N 2 2 256.350 -0.251 20 0 CBADLP CCNC(=O)NC(=O)C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000229087240 656111241 /nfs/dbraw/zinc/11/12/41/656111241.db2.gz OLWRIQDSMOACLV-UWVGGRQHSA-N 2 2 256.350 -0.251 20 0 CBADLP CC(C)(C)NC(=O)C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261577915 656124692 /nfs/dbraw/zinc/12/46/92/656124692.db2.gz CYIBSRGSLLNTOM-LBPRGKRZSA-N 2 2 268.405 -0.119 20 0 CBADLP CC(=O)N[C@H]1CC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000311010914 656145097 /nfs/dbraw/zinc/14/50/97/656145097.db2.gz ZWGGHZFNIHXMQS-QWHCGFSZSA-N 2 2 255.362 -0.347 20 0 CBADLP CC(=O)N[C@H]1CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000311010914 656145099 /nfs/dbraw/zinc/14/50/99/656145099.db2.gz ZWGGHZFNIHXMQS-QWHCGFSZSA-N 2 2 255.362 -0.347 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC(C[NH3+])CC1 ZINC000311147036 656145729 /nfs/dbraw/zinc/14/57/29/656145729.db2.gz MHDQMGMBJFHZGU-CYBMUJFWSA-N 3 2 259.394 -0.404 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(C[NH3+])CC1 ZINC000311147036 656145730 /nfs/dbraw/zinc/14/57/30/656145730.db2.gz MHDQMGMBJFHZGU-CYBMUJFWSA-N 3 2 259.394 -0.404 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000311752070 656146433 /nfs/dbraw/zinc/14/64/33/656146433.db2.gz VBYIZVACTFDCOD-RDBSUJKOSA-N 3 2 273.421 -0.015 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000311752070 656146435 /nfs/dbraw/zinc/14/64/35/656146435.db2.gz VBYIZVACTFDCOD-RDBSUJKOSA-N 3 2 273.421 -0.015 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000311752070 656146440 /nfs/dbraw/zinc/14/64/40/656146440.db2.gz VBYIZVACTFDCOD-RDBSUJKOSA-N 3 2 273.421 -0.015 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000311752070 656146444 /nfs/dbraw/zinc/14/64/44/656146444.db2.gz VBYIZVACTFDCOD-RDBSUJKOSA-N 3 2 273.421 -0.015 20 0 CBADLP CCCNS(=O)(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000321179078 656148090 /nfs/dbraw/zinc/14/80/90/656148090.db2.gz KMVRPHOGEIONGN-UHFFFAOYSA-N 2 2 264.395 -0.757 20 0 CBADLP C[NH+](C)C[C@H](N)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000702390068 656180995 /nfs/dbraw/zinc/18/09/95/656180995.db2.gz QXFHUYGBSQHRGK-NSHDSACASA-N 2 2 272.393 -0.898 20 0 CBADLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000703146994 656182851 /nfs/dbraw/zinc/18/28/51/656182851.db2.gz HCFYFIMMWGIFAC-NEPJUHHUSA-N 2 2 275.418 -0.191 20 0 CBADLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000703146994 656182848 /nfs/dbraw/zinc/18/28/48/656182848.db2.gz HCFYFIMMWGIFAC-NEPJUHHUSA-N 2 2 275.418 -0.191 20 0 CBADLP CN(C)S(=O)(=O)CC[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000709827375 656196205 /nfs/dbraw/zinc/19/62/05/656196205.db2.gz KNGLOIJQZQZQRI-GFCCVEGCSA-N 2 2 275.418 -0.047 20 0 CBADLP CN(C)S(=O)(=O)CC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000709827375 656196206 /nfs/dbraw/zinc/19/62/06/656196206.db2.gz KNGLOIJQZQZQRI-GFCCVEGCSA-N 2 2 275.418 -0.047 20 0 CBADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1C[C@H](S(C)(=O)=O)C1 ZINC000714251688 656215055 /nfs/dbraw/zinc/21/50/55/656215055.db2.gz XTIHEUQUQAKJQW-YFKTTZPYSA-N 2 2 276.402 -0.081 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](C2OCCO2)C1 ZINC000719082745 656235067 /nfs/dbraw/zinc/23/50/67/656235067.db2.gz LOXLARBSQSHWLT-STQMWFEESA-N 2 2 288.388 -0.380 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](C2OCCO2)C1 ZINC000719082745 656235070 /nfs/dbraw/zinc/23/50/70/656235070.db2.gz LOXLARBSQSHWLT-STQMWFEESA-N 2 2 288.388 -0.380 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](C2OCCO2)C1 ZINC000719082745 656235073 /nfs/dbraw/zinc/23/50/73/656235073.db2.gz LOXLARBSQSHWLT-STQMWFEESA-N 2 2 288.388 -0.380 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](C2OCCO2)C1 ZINC000719082745 656235078 /nfs/dbraw/zinc/23/50/78/656235078.db2.gz LOXLARBSQSHWLT-STQMWFEESA-N 2 2 288.388 -0.380 20 0 CBADLP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)[C@@H]1COC(=O)N1 ZINC000877199539 656245861 /nfs/dbraw/zinc/24/58/61/656245861.db2.gz VMQLEKSCWGHNCD-JTQLQIEISA-N 2 2 291.311 -0.462 20 0 CBADLP [NH3+][C@H]1C[C@@H](CNC(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000877241205 656246039 /nfs/dbraw/zinc/24/60/39/656246039.db2.gz MVRORTXYOYVPRG-ZRGSSGQVSA-N 2 2 253.346 -0.272 20 0 CBADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@H](N)CC[NH+](C)C ZINC000877432665 656247833 /nfs/dbraw/zinc/24/78/33/656247833.db2.gz DZZINEOZOCVVOO-QWHCGFSZSA-N 2 2 286.420 -0.508 20 0 CBADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@H](N)CC[NH+](C)C ZINC000877432665 656247835 /nfs/dbraw/zinc/24/78/35/656247835.db2.gz DZZINEOZOCVVOO-QWHCGFSZSA-N 2 2 286.420 -0.508 20 0 CBADLP C[NH+]1CCC(NC(=O)C[N@H+](CC(N)=O)C2CCCC2)CC1 ZINC000878051527 656248934 /nfs/dbraw/zinc/24/89/34/656248934.db2.gz JTLCFHITWFIKGR-UHFFFAOYSA-N 2 2 296.415 -0.073 20 0 CBADLP C[NH+]1CCC(NC(=O)C[N@@H+](CC(N)=O)C2CCCC2)CC1 ZINC000878051527 656248937 /nfs/dbraw/zinc/24/89/37/656248937.db2.gz JTLCFHITWFIKGR-UHFFFAOYSA-N 2 2 296.415 -0.073 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889757168 656268796 /nfs/dbraw/zinc/26/87/96/656268796.db2.gz SOCFMWMJARPPRD-OLZOCXBDSA-N 2 2 278.356 -0.059 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889757168 656268800 /nfs/dbraw/zinc/26/88/00/656268800.db2.gz SOCFMWMJARPPRD-OLZOCXBDSA-N 2 2 278.356 -0.059 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889757170 656269064 /nfs/dbraw/zinc/26/90/64/656269064.db2.gz SOCFMWMJARPPRD-STQMWFEESA-N 2 2 278.356 -0.059 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889757170 656269067 /nfs/dbraw/zinc/26/90/67/656269067.db2.gz SOCFMWMJARPPRD-STQMWFEESA-N 2 2 278.356 -0.059 20 0 CBADLP CC(=O)OC[C@H](C)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000895571970 656281047 /nfs/dbraw/zinc/28/10/47/656281047.db2.gz PUUOCWCTYDUSSG-JQWIXIFHSA-N 2 2 271.361 -0.133 20 0 CBADLP CC(=O)OC[C@H](C)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000895571970 656281053 /nfs/dbraw/zinc/28/10/53/656281053.db2.gz PUUOCWCTYDUSSG-JQWIXIFHSA-N 2 2 271.361 -0.133 20 0 CBADLP C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CN(C)CC[NH+]1C ZINC000896560803 656290315 /nfs/dbraw/zinc/29/03/15/656290315.db2.gz TVRLEDPSCZTCHG-YNEHKIRRSA-N 2 2 268.405 -0.311 20 0 CBADLP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CN(C)CC[NH+]1C ZINC000896560803 656290317 /nfs/dbraw/zinc/29/03/17/656290317.db2.gz TVRLEDPSCZTCHG-YNEHKIRRSA-N 2 2 268.405 -0.311 20 0 CBADLP C[C@H](NC(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CN(C)CC[N@@H+]1C ZINC000896560803 656290319 /nfs/dbraw/zinc/29/03/19/656290319.db2.gz TVRLEDPSCZTCHG-YNEHKIRRSA-N 2 2 268.405 -0.311 20 0 CBADLP C[C@H](NC(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CN(C)CC[N@H+]1C ZINC000896560803 656290320 /nfs/dbraw/zinc/29/03/20/656290320.db2.gz TVRLEDPSCZTCHG-YNEHKIRRSA-N 2 2 268.405 -0.311 20 0 CBADLP O[C@H](C[NH2+][C@H]1CC[N@H+](CC2CC2)C1)C1(O)CCOCC1 ZINC000905100392 656338888 /nfs/dbraw/zinc/33/88/88/656338888.db2.gz DRCHZLFBRVBVLL-UONOGXRCSA-N 2 2 284.400 -0.037 20 0 CBADLP O[C@H](C[NH2+][C@H]1CC[N@@H+](CC2CC2)C1)C1(O)CCOCC1 ZINC000905100392 656338894 /nfs/dbraw/zinc/33/88/94/656338894.db2.gz DRCHZLFBRVBVLL-UONOGXRCSA-N 2 2 284.400 -0.037 20 0 CBADLP C[C@H]([NH3+])CCNS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000905329697 656349397 /nfs/dbraw/zinc/34/93/97/656349397.db2.gz LSPZOMXXHSRKCS-NSHDSACASA-N 2 2 279.406 -0.635 20 0 CBADLP [NH3+]C[C@H](NS(=O)(=O)CCC[NH+]1CCOCC1)C1CC1 ZINC000905331031 656349415 /nfs/dbraw/zinc/34/94/15/656349415.db2.gz XZGMGSYLDMGDCL-LBPRGKRZSA-N 2 2 291.417 -0.635 20 0 CBADLP C[NH2+]CCCNS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000905331469 656350099 /nfs/dbraw/zinc/35/00/99/656350099.db2.gz ZKXRSJQVACXVNN-UHFFFAOYSA-N 2 2 279.406 -0.762 20 0 CBADLP C[C@@](O)(C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)C(F)F ZINC000905392337 656356244 /nfs/dbraw/zinc/35/62/44/656356244.db2.gz YWLWIGDFQUKJME-JOYOIKCWSA-N 2 2 279.331 -0.068 20 0 CBADLP C[C@@](O)(C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)C(F)F ZINC000905392337 656356245 /nfs/dbraw/zinc/35/62/45/656356245.db2.gz YWLWIGDFQUKJME-JOYOIKCWSA-N 2 2 279.331 -0.068 20 0 CBADLP [NH3+]C1CC([NH2+]Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000906511031 656389462 /nfs/dbraw/zinc/38/94/62/656389462.db2.gz QHRKIPKMFHDBRX-VQXHTEKXSA-N 3 2 250.350 -0.218 20 0 CBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CCC(N)=O ZINC000906677470 656396692 /nfs/dbraw/zinc/39/66/92/656396692.db2.gz MKUABCJXMQBQQC-UHFFFAOYSA-N 2 2 284.404 -0.264 20 0 CBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CCC(N)=O ZINC000906677470 656396695 /nfs/dbraw/zinc/39/66/95/656396695.db2.gz MKUABCJXMQBQQC-UHFFFAOYSA-N 2 2 284.404 -0.264 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]([NH2+]CCO)C(C)(C)C1 ZINC000996520642 656417669 /nfs/dbraw/zinc/41/76/69/656417669.db2.gz UBRBOFJEHGZSHQ-LBPRGKRZSA-N 2 2 280.372 -0.219 20 0 CBADLP NC(=O)C[NH2+]C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000996859401 656459193 /nfs/dbraw/zinc/45/91/93/656459193.db2.gz LATFPEVRURDSIV-UHFFFAOYSA-N 2 2 279.344 -0.661 20 0 CBADLP C[C@@H]([NH2+]C1CCN(C(=O)CCn2cc[nH+]c2)CC1)C(N)=O ZINC000996857739 656459241 /nfs/dbraw/zinc/45/92/41/656459241.db2.gz FJLDATFUIYGBFA-LLVKDONJSA-N 2 2 293.371 -0.272 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CCC([NH2+]CCO)CC1 ZINC000997182243 656469037 /nfs/dbraw/zinc/46/90/37/656469037.db2.gz HJBLBUBUEVYOHX-UHFFFAOYSA-N 2 2 266.345 -0.465 20 0 CBADLP C[C@H](O)C[NH2+]C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC000997180619 656469181 /nfs/dbraw/zinc/46/91/81/656469181.db2.gz REAGVBLCCMHLEF-NSHDSACASA-N 2 2 280.372 -0.076 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC([NH2+][C@@H](C)C(N)=O)CC1 ZINC000997211847 656469404 /nfs/dbraw/zinc/46/94/04/656469404.db2.gz RVPCPUQVVQNPTL-JTQLQIEISA-N 2 2 293.371 -0.285 20 0 CBADLP C[C@@H]([NH2+]C1CCN(C(=O)Cn2cc[nH+]c2)CC1)C(N)=O ZINC000997413970 656476763 /nfs/dbraw/zinc/47/67/63/656476763.db2.gz XTODYVFQINSFSV-SNVBAGLBSA-N 2 2 279.344 -0.663 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CCC([NH2+][C@H]2CCNC2=O)CC1 ZINC000997413929 656477342 /nfs/dbraw/zinc/47/73/42/656477342.db2.gz WARYNZAFPVKUGZ-LBPRGKRZSA-N 2 2 291.355 -0.648 20 0 CBADLP Cn1c[nH+]cc1CCNC(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000907309003 656486503 /nfs/dbraw/zinc/48/65/03/656486503.db2.gz YIPOBFBYAGAOSP-YPMHNXCESA-N 2 2 266.345 -0.466 20 0 CBADLP Cn1c[nH+]cc1CCNC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC000907309003 656486508 /nfs/dbraw/zinc/48/65/08/656486508.db2.gz YIPOBFBYAGAOSP-YPMHNXCESA-N 2 2 266.345 -0.466 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000998385503 656527396 /nfs/dbraw/zinc/52/73/96/656527396.db2.gz YHUMGQYZGMOFTH-LLVKDONJSA-N 2 2 291.355 -0.627 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000998385503 656527403 /nfs/dbraw/zinc/52/74/03/656527403.db2.gz YHUMGQYZGMOFTH-LLVKDONJSA-N 2 2 291.355 -0.627 20 0 CBADLP CC[C@H](C(=O)N1CC(NC(=O)Cc2[nH]cc[nH+]2)C1)[NH+](C)C ZINC000998381681 656528518 /nfs/dbraw/zinc/52/85/18/656528518.db2.gz CVCKOVKCEMQPST-LLVKDONJSA-N 2 2 293.371 -0.381 20 0 CBADLP C[N@@H+]1CC[C@@H](C(=O)N2CC(NC(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC000998387632 656529651 /nfs/dbraw/zinc/52/96/51/656529651.db2.gz TYYPXIUSIVCFQT-SNVBAGLBSA-N 2 2 291.355 -0.769 20 0 CBADLP C[N@H+]1CC[C@@H](C(=O)N2CC(NC(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC000998387632 656529662 /nfs/dbraw/zinc/52/96/62/656529662.db2.gz TYYPXIUSIVCFQT-SNVBAGLBSA-N 2 2 291.355 -0.769 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC1CN(C(=O)C[NH+]2CCCC2)C1 ZINC000998386845 656529868 /nfs/dbraw/zinc/52/98/68/656529868.db2.gz MWJSCFMPPQDRDS-UHFFFAOYSA-N 2 2 291.355 -0.625 20 0 CBADLP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCC[NH+]1CCCOCC1 ZINC000907614407 656540173 /nfs/dbraw/zinc/54/01/73/656540173.db2.gz YCVIUQIIUVMAGO-GXTWGEPZSA-N 2 2 285.388 -0.720 20 0 CBADLP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCC[NH+]1CCCOCC1 ZINC000907614407 656540181 /nfs/dbraw/zinc/54/01/81/656540181.db2.gz YCVIUQIIUVMAGO-GXTWGEPZSA-N 2 2 285.388 -0.720 20 0 CBADLP C[NH+]1C[C@@H](O)C[C@]1(C)C(=O)NCC[N@H+]1CCCOCC1 ZINC000907614407 656540200 /nfs/dbraw/zinc/54/02/00/656540200.db2.gz YCVIUQIIUVMAGO-GXTWGEPZSA-N 2 2 285.388 -0.720 20 0 CBADLP C[C@@H]([NH2+][C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1)C(N)=O ZINC000999320524 656621332 /nfs/dbraw/zinc/62/13/32/656621332.db2.gz AAEPYTAUQHPITQ-ZYHUDNBSSA-N 2 2 293.371 -0.203 20 0 CBADLP C[C@@H]([NH2+][C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1)C(N)=O ZINC000999320524 656621335 /nfs/dbraw/zinc/62/13/35/656621335.db2.gz AAEPYTAUQHPITQ-ZYHUDNBSSA-N 2 2 293.371 -0.203 20 0 CBADLP CN(C(=O)Cc1[nH]cc[nH+]1)C1CC([NH2+]CC(N)=O)C1 ZINC000999605119 656636616 /nfs/dbraw/zinc/63/66/16/656636616.db2.gz GIIJWKONGHDKJQ-UHFFFAOYSA-N 2 2 265.317 -0.984 20 0 CBADLP C[C@H]([NH2+]C1CC(N(C)C(=O)Cc2[nH]cc[nH+]2)C1)C(N)=O ZINC000999605072 656637018 /nfs/dbraw/zinc/63/70/18/656637018.db2.gz DRTMRLHJUTWFIF-IDKOKCKLSA-N 2 2 279.344 -0.595 20 0 CBADLP C[C@@H](O)C[NH2+]C1CC(N(C)C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000999606517 656637500 /nfs/dbraw/zinc/63/75/00/656637500.db2.gz UTMCEUGASWDSLD-KPPDAEKUSA-N 2 2 266.345 -0.088 20 0 CBADLP CC[N@@H+]1CCN(C(=O)[C@]2(C)C[C@@H](O)C[NH+]2C)[C@H](C)C1 ZINC000908136247 656653490 /nfs/dbraw/zinc/65/34/90/656653490.db2.gz BKDVZRCFDJORJH-BZPMIXESSA-N 2 2 269.389 -0.006 20 0 CBADLP CC[N@H+]1CCN(C(=O)[C@]2(C)C[C@@H](O)C[NH+]2C)[C@H](C)C1 ZINC000908136247 656653491 /nfs/dbraw/zinc/65/34/91/656653491.db2.gz BKDVZRCFDJORJH-BZPMIXESSA-N 2 2 269.389 -0.006 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)[C@H](C)C1 ZINC000908136247 656653493 /nfs/dbraw/zinc/65/34/93/656653493.db2.gz BKDVZRCFDJORJH-BZPMIXESSA-N 2 2 269.389 -0.006 20 0 CBADLP C[NH+](C)C[C@@H](CO)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC000908199383 656663351 /nfs/dbraw/zinc/66/33/51/656663351.db2.gz DMWDWUMOEUJSLI-GXFFZTMASA-N 2 2 295.387 -0.171 20 0 CBADLP C[NH+](C)C[C@@H](CO)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC000908199383 656663364 /nfs/dbraw/zinc/66/33/64/656663364.db2.gz DMWDWUMOEUJSLI-GXFFZTMASA-N 2 2 295.387 -0.171 20 0 CBADLP C[C@@H]([NH2+]C1CC(N(C)C(=O)Cn2cc[nH+]c2)C1)C(N)=O ZINC000999916046 656669731 /nfs/dbraw/zinc/66/97/31/656669731.db2.gz NJFBACGHLNIJRK-KPPDAEKUSA-N 2 2 279.344 -0.664 20 0 CBADLP C[C@H](O)C[NH2+][C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001000314428 656711128 /nfs/dbraw/zinc/71/11/28/656711128.db2.gz WOJBCGXENUJGMA-WDEREUQCSA-N 2 2 266.345 -0.086 20 0 CBADLP C[C@@H](O)C[NH2+][C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001000558766 656734221 /nfs/dbraw/zinc/73/42/21/656734221.db2.gz GSQJECJSWULEIG-GHMZBOCLSA-N 2 2 266.345 -0.086 20 0 CBADLP NC(=O)C[NH2+][C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001000556777 656734577 /nfs/dbraw/zinc/73/45/77/656734577.db2.gz DHBOERKVMXLKHQ-SECBINFHSA-N 2 2 265.317 -0.982 20 0 CBADLP CC[C@@H]([NH2+][C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1)C(N)=O ZINC001000565707 656738039 /nfs/dbraw/zinc/73/80/39/656738039.db2.gz RHMQNKVLFCVCCL-WDEREUQCSA-N 2 2 293.371 -0.203 20 0 CBADLP C[C@H]([NH2+][C@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1)C(N)=O ZINC001000691835 656759518 /nfs/dbraw/zinc/75/95/18/656759518.db2.gz APUSQEHMWHIOJC-QWRGUYRKSA-N 2 2 293.371 -0.583 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001000793050 656763914 /nfs/dbraw/zinc/76/39/14/656763914.db2.gz CROSYVIWAIOBIJ-WDEREUQCSA-N 2 2 293.371 -0.285 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@]2(C)C[C@@H](O)C[NH+]2C)C[C@H](C)[N@H+]1CCO ZINC000909032552 656774685 /nfs/dbraw/zinc/77/46/85/656774685.db2.gz JFRVYYHOUYNLKT-QVHKTLOISA-N 2 2 299.415 -0.645 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@]2(C)C[C@@H](O)C[NH+]2C)C[C@H](C)[N@@H+]1CCO ZINC000909032552 656774691 /nfs/dbraw/zinc/77/46/91/656774691.db2.gz JFRVYYHOUYNLKT-QVHKTLOISA-N 2 2 299.415 -0.645 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)C[C@H](C)[NH+]1CCO ZINC000909032552 656774695 /nfs/dbraw/zinc/77/46/95/656774695.db2.gz JFRVYYHOUYNLKT-QVHKTLOISA-N 2 2 299.415 -0.645 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)C[C@H](C)[NH+]1CCO ZINC000909032552 656774703 /nfs/dbraw/zinc/77/47/03/656774703.db2.gz JFRVYYHOUYNLKT-QVHKTLOISA-N 2 2 299.415 -0.645 20 0 CBADLP C[C@@H]([NH2+][C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1)C(N)=O ZINC001001052507 656792066 /nfs/dbraw/zinc/79/20/66/656792066.db2.gz NKLAYYDATOLOFH-MNOVXSKESA-N 2 2 279.344 -0.663 20 0 CBADLP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCC[NH+]1CCC(O)CC1 ZINC000909272566 656804118 /nfs/dbraw/zinc/80/41/18/656804118.db2.gz LDQYDOVWFSPRNL-OCCSQVGLSA-N 2 2 285.388 -0.986 20 0 CBADLP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCC[NH+]1CCC(O)CC1 ZINC000909272566 656804121 /nfs/dbraw/zinc/80/41/21/656804121.db2.gz LDQYDOVWFSPRNL-OCCSQVGLSA-N 2 2 285.388 -0.986 20 0 CBADLP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NCC[NH+]1CCC(O)CC1 ZINC000909272571 656804424 /nfs/dbraw/zinc/80/44/24/656804424.db2.gz LDQYDOVWFSPRNL-TZMCWYRMSA-N 2 2 285.388 -0.986 20 0 CBADLP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NCC[NH+]1CCC(O)CC1 ZINC000909272571 656804427 /nfs/dbraw/zinc/80/44/27/656804427.db2.gz LDQYDOVWFSPRNL-TZMCWYRMSA-N 2 2 285.388 -0.986 20 0 CBADLP C[C@@H]1C[N@H+](CCO)CCN1C(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000909436317 656813971 /nfs/dbraw/zinc/81/39/71/656813971.db2.gz KBWBVWMDQIJVKC-TZMCWYRMSA-N 2 2 297.399 -0.768 20 0 CBADLP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000909436317 656813972 /nfs/dbraw/zinc/81/39/72/656813972.db2.gz KBWBVWMDQIJVKC-TZMCWYRMSA-N 2 2 297.399 -0.768 20 0 CBADLP C[C@@H](O)C[NH+]1CCC(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001004258604 656883140 /nfs/dbraw/zinc/88/31/40/656883140.db2.gz UYAMZFBSSQEIRW-LLVKDONJSA-N 2 2 266.345 -0.156 20 0 CBADLP CC[C@H](C(N)=O)[NH+]1CCC(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001004259949 656884028 /nfs/dbraw/zinc/88/40/28/656884028.db2.gz ONVQJIVOYWYNNU-GFCCVEGCSA-N 2 2 293.371 -0.272 20 0 CBADLP C[C@@H]1CN(C(=O)C(=O)NCCCCn2cc[nH+]c2)C[C@H]1[NH3+] ZINC000910972084 656918078 /nfs/dbraw/zinc/91/80/78/656918078.db2.gz PEKJYJYYXGFFSQ-VXGBXAGGSA-N 2 2 293.371 -0.415 20 0 CBADLP O=C(NCCn1cc[nH+]c1)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC000910986591 656922159 /nfs/dbraw/zinc/92/21/59/656922159.db2.gz KHKYMCDYXUMPQJ-LBPRGKRZSA-N 2 2 293.371 -0.352 20 0 CBADLP O=C(NCCn1cc[nH+]c1)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000910986900 656922537 /nfs/dbraw/zinc/92/25/37/656922537.db2.gz LMINUNSQYPKTRW-CQSZACIVSA-N 2 2 291.355 -0.646 20 0 CBADLP C[C@@H]1CN(C(=O)C(=O)NCCn2cc[nH+]c2)CC[C@@H]1C[NH3+] ZINC000910986503 656923159 /nfs/dbraw/zinc/92/31/59/656923159.db2.gz JJJBKKQNEPLXSF-VXGBXAGGSA-N 2 2 293.371 -0.557 20 0 CBADLP O=C(NCCn1cc[nH+]c1)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000910985929 656923401 /nfs/dbraw/zinc/92/34/01/656923401.db2.gz FSQBPDNHGGHEEE-HBNTYKKESA-N 2 2 277.328 -0.992 20 0 CBADLP CN(C(=O)Cc1c[nH+]cn1C)C1CC[NH+](CCO)CC1 ZINC001006292060 656942239 /nfs/dbraw/zinc/94/22/39/656942239.db2.gz LSGCERGFGUNDTF-UHFFFAOYSA-N 2 2 280.372 -0.122 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911228480 656991488 /nfs/dbraw/zinc/99/14/88/656991488.db2.gz GINPORRFJUTRHV-NNYUYHANSA-N 2 2 291.355 -0.603 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000911231270 656991516 /nfs/dbraw/zinc/99/15/16/656991516.db2.gz ZDTUZDBONHYUQS-MNOVXSKESA-N 2 2 293.371 -0.417 20 0 CBADLP CC1(C)CN(C(=O)C(=O)NCCCn2cc[nH+]c2)C[C@@H]1[NH3+] ZINC000911247700 656998195 /nfs/dbraw/zinc/99/81/95/656998195.db2.gz PQYUJPAEWGHOHU-NSHDSACASA-N 2 2 293.371 -0.415 20 0 CBADLP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000911382023 657033329 /nfs/dbraw/zinc/03/33/29/657033329.db2.gz DFBXCXDYUNSDSA-NEPJUHHUSA-N 2 2 294.399 -0.735 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001009518635 657076574 /nfs/dbraw/zinc/07/65/74/657076574.db2.gz RCMNVTCOZCSODM-CHWSQXEVSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001009518635 657076579 /nfs/dbraw/zinc/07/65/79/657076579.db2.gz RCMNVTCOZCSODM-CHWSQXEVSA-N 2 2 296.415 -0.203 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001009518716 657077818 /nfs/dbraw/zinc/07/78/18/657077818.db2.gz STANCBFGZFZTGA-NEPJUHHUSA-N 2 2 282.388 -0.463 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001009518716 657077827 /nfs/dbraw/zinc/07/78/27/657077827.db2.gz STANCBFGZFZTGA-NEPJUHHUSA-N 2 2 282.388 -0.463 20 0 CBADLP O=C(NC[C@@H]1CCC[NH2+]1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000911752742 657122775 /nfs/dbraw/zinc/12/27/75/657122775.db2.gz YDAYTKWOYMMRRG-MJBXVCDLSA-N 2 2 297.399 -0.266 20 0 CBADLP CN(CCN1CC[NH2+]CC1)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000911776823 657127119 /nfs/dbraw/zinc/12/71/19/657127119.db2.gz YRWVWLCVGCHQRQ-CYBMUJFWSA-N 2 2 291.399 -0.191 20 0 CBADLP CN1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@H](C[NH3+])C1 ZINC000911874732 657152033 /nfs/dbraw/zinc/15/20/33/657152033.db2.gz DVSBNANNKJOHSL-DGCLKSJQSA-N 2 2 277.372 -0.453 20 0 CBADLP CN(CC[N@H+](C)CCO)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000912603889 657292163 /nfs/dbraw/zinc/29/21/63/657292163.db2.gz QASIHSPPQMBQLF-LBPRGKRZSA-N 2 2 280.372 -0.172 20 0 CBADLP CN(CC[N@@H+](C)CCO)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000912603889 657292168 /nfs/dbraw/zinc/29/21/68/657292168.db2.gz QASIHSPPQMBQLF-LBPRGKRZSA-N 2 2 280.372 -0.172 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000912734701 657318304 /nfs/dbraw/zinc/31/83/04/657318304.db2.gz MRYMAFRUXLYURO-NSHDSACASA-N 2 2 252.318 -0.674 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000912734701 657318309 /nfs/dbraw/zinc/31/83/09/657318309.db2.gz MRYMAFRUXLYURO-NSHDSACASA-N 2 2 252.318 -0.674 20 0 CBADLP C[NH+](C)CC1(C(=O)N2CC[N@H+](C)C[C@H]2CO)CC1 ZINC000912735634 657318513 /nfs/dbraw/zinc/31/85/13/657318513.db2.gz CCNJTMYHAKPKBY-NSHDSACASA-N 2 2 255.362 -0.537 20 0 CBADLP C[NH+](C)CC1(C(=O)N2CC[N@@H+](C)C[C@H]2CO)CC1 ZINC000912735634 657318516 /nfs/dbraw/zinc/31/85/16/657318516.db2.gz CCNJTMYHAKPKBY-NSHDSACASA-N 2 2 255.362 -0.537 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000912737447 657323948 /nfs/dbraw/zinc/32/39/48/657323948.db2.gz LWRRJLWFYJZQME-LLVKDONJSA-N 2 2 252.318 -0.674 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000912737447 657323953 /nfs/dbraw/zinc/32/39/53/657323953.db2.gz LWRRJLWFYJZQME-LLVKDONJSA-N 2 2 252.318 -0.674 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000912741077 657331988 /nfs/dbraw/zinc/33/19/88/657331988.db2.gz KTPLQPREIMVVPW-QWHCGFSZSA-N 2 2 285.388 -0.910 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000912741077 657331995 /nfs/dbraw/zinc/33/19/95/657331995.db2.gz KTPLQPREIMVVPW-QWHCGFSZSA-N 2 2 285.388 -0.910 20 0 CBADLP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CC[NH+](C)C[C@H]1CO ZINC000912743110 657334162 /nfs/dbraw/zinc/33/41/62/657334162.db2.gz PGQPACAADKKHTB-XQQFMLRXSA-N 2 2 269.389 -0.006 20 0 CBADLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CC[NH+](C)C[C@H]1CO ZINC000912743110 657334167 /nfs/dbraw/zinc/33/41/67/657334167.db2.gz PGQPACAADKKHTB-XQQFMLRXSA-N 2 2 269.389 -0.006 20 0 CBADLP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000912743110 657334177 /nfs/dbraw/zinc/33/41/77/657334177.db2.gz PGQPACAADKKHTB-XQQFMLRXSA-N 2 2 269.389 -0.006 20 0 CBADLP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000912743110 657334180 /nfs/dbraw/zinc/33/41/80/657334180.db2.gz PGQPACAADKKHTB-XQQFMLRXSA-N 2 2 269.389 -0.006 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001014401155 657355853 /nfs/dbraw/zinc/35/58/53/657355853.db2.gz UIYRBZMFZGNUIK-STQMWFEESA-N 2 2 296.415 -0.204 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001014401155 657355855 /nfs/dbraw/zinc/35/58/55/657355855.db2.gz UIYRBZMFZGNUIK-STQMWFEESA-N 2 2 296.415 -0.204 20 0 CBADLP CNC(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001014401155 657355857 /nfs/dbraw/zinc/35/58/57/657355857.db2.gz UIYRBZMFZGNUIK-STQMWFEESA-N 2 2 296.415 -0.204 20 0 CBADLP CNC(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001014401155 657355859 /nfs/dbraw/zinc/35/58/59/657355859.db2.gz UIYRBZMFZGNUIK-STQMWFEESA-N 2 2 296.415 -0.204 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[NH+](CC(N)=O)C2)CC[N@@H+]1C ZINC001014506044 657365239 /nfs/dbraw/zinc/36/52/39/657365239.db2.gz DQEPWTMAPHZJQU-GRYCIOLGSA-N 2 2 282.388 -0.608 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[NH+](CC(N)=O)C2)CC[N@H+]1C ZINC001014506044 657365248 /nfs/dbraw/zinc/36/52/48/657365248.db2.gz DQEPWTMAPHZJQU-GRYCIOLGSA-N 2 2 282.388 -0.608 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)CC[NH+]1C ZINC001014506044 657365258 /nfs/dbraw/zinc/36/52/58/657365258.db2.gz DQEPWTMAPHZJQU-GRYCIOLGSA-N 2 2 282.388 -0.608 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)CC[NH+]1C ZINC001014506044 657365264 /nfs/dbraw/zinc/36/52/64/657365264.db2.gz DQEPWTMAPHZJQU-GRYCIOLGSA-N 2 2 282.388 -0.608 20 0 CBADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC(=O)NC)C1 ZINC001014636650 657372254 /nfs/dbraw/zinc/37/22/54/657372254.db2.gz ZSAMPOBJFUYPFM-QWHCGFSZSA-N 2 2 296.415 -0.203 20 0 CBADLP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC(=O)NC)C1 ZINC001014636650 657372262 /nfs/dbraw/zinc/37/22/62/657372262.db2.gz ZSAMPOBJFUYPFM-QWHCGFSZSA-N 2 2 296.415 -0.203 20 0 CBADLP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC(=O)NC)C1 ZINC001014636650 657372269 /nfs/dbraw/zinc/37/22/69/657372269.db2.gz ZSAMPOBJFUYPFM-QWHCGFSZSA-N 2 2 296.415 -0.203 20 0 CBADLP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001014636650 657372272 /nfs/dbraw/zinc/37/22/72/657372272.db2.gz ZSAMPOBJFUYPFM-QWHCGFSZSA-N 2 2 296.415 -0.203 20 0 CBADLP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@H]1CC[NH+](CC(N)=O)C1 ZINC001014724971 657379352 /nfs/dbraw/zinc/37/93/52/657379352.db2.gz YSKDIELHONCVJO-QWHCGFSZSA-N 2 2 296.415 -0.075 20 0 CBADLP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@H]1CC[NH+](CC(N)=O)C1 ZINC001014724971 657379355 /nfs/dbraw/zinc/37/93/55/657379355.db2.gz YSKDIELHONCVJO-QWHCGFSZSA-N 2 2 296.415 -0.075 20 0 CBADLP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001014724971 657379357 /nfs/dbraw/zinc/37/93/57/657379357.db2.gz YSKDIELHONCVJO-QWHCGFSZSA-N 2 2 296.415 -0.075 20 0 CBADLP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001014724971 657379361 /nfs/dbraw/zinc/37/93/61/657379361.db2.gz YSKDIELHONCVJO-QWHCGFSZSA-N 2 2 296.415 -0.075 20 0 CBADLP O=C(N[C@H]1CC[N@@H+](CCO)C1)[C@H]1CCn2cc[nH+]c2C1 ZINC001014999872 657396122 /nfs/dbraw/zinc/39/61/22/657396122.db2.gz MDZSDLJTPYWTMQ-RYUDHWBXSA-N 2 2 278.356 -0.372 20 0 CBADLP O=C(N[C@H]1CC[N@H+](CCO)C1)[C@H]1CCn2cc[nH+]c2C1 ZINC001014999872 657396130 /nfs/dbraw/zinc/39/61/30/657396130.db2.gz MDZSDLJTPYWTMQ-RYUDHWBXSA-N 2 2 278.356 -0.372 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001015089069 657405877 /nfs/dbraw/zinc/40/58/77/657405877.db2.gz GHHWDMKKTQPTPF-LBPRGKRZSA-N 2 2 294.399 -0.449 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001015089069 657405888 /nfs/dbraw/zinc/40/58/88/657405888.db2.gz GHHWDMKKTQPTPF-LBPRGKRZSA-N 2 2 294.399 -0.449 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001015288843 657428814 /nfs/dbraw/zinc/42/88/14/657428814.db2.gz GPKBHVWLTAJQGC-RYUDHWBXSA-N 2 2 293.371 -0.483 20 0 CBADLP CNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001015288843 657428829 /nfs/dbraw/zinc/42/88/29/657428829.db2.gz GPKBHVWLTAJQGC-RYUDHWBXSA-N 2 2 293.371 -0.483 20 0 CBADLP CN(C[C@@H]1C[N@H+](C)CCO1)C(=O)[C@]1(C)C[C@H](O)C[NH+]1C ZINC000913507876 657482869 /nfs/dbraw/zinc/48/28/69/657482869.db2.gz UJHLMARZVHSLNC-OBJOEFQTSA-N 2 2 285.388 -0.770 20 0 CBADLP CN(C[C@@H]1C[N@@H+](C)CCO1)C(=O)[C@]1(C)C[C@H](O)C[NH+]1C ZINC000913507876 657482872 /nfs/dbraw/zinc/48/28/72/657482872.db2.gz UJHLMARZVHSLNC-OBJOEFQTSA-N 2 2 285.388 -0.770 20 0 CBADLP CN(C[C@@H]1C[NH+](C)CCO1)C(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC000913507876 657482880 /nfs/dbraw/zinc/48/28/80/657482880.db2.gz UJHLMARZVHSLNC-OBJOEFQTSA-N 2 2 285.388 -0.770 20 0 CBADLP CN(C[C@@H]1C[NH+](C)CCO1)C(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC000913507876 657482884 /nfs/dbraw/zinc/48/28/84/657482884.db2.gz UJHLMARZVHSLNC-OBJOEFQTSA-N 2 2 285.388 -0.770 20 0 CBADLP C[N@@H+]1CCN(C(=O)C2CC[NH+](C3CC3)CC2)C[C@@H]1CO ZINC000913543979 657517488 /nfs/dbraw/zinc/51/74/88/657517488.db2.gz UNJUBCDBSKSEBI-CQSZACIVSA-N 2 2 281.400 -0.004 20 0 CBADLP C[N@H+]1CCN(C(=O)C2CC[NH+](C3CC3)CC2)C[C@@H]1CO ZINC000913543979 657517507 /nfs/dbraw/zinc/51/75/07/657517507.db2.gz UNJUBCDBSKSEBI-CQSZACIVSA-N 2 2 281.400 -0.004 20 0 CBADLP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CC[NH+](CC(=O)N(C)C)C1 ZINC001015702736 657518970 /nfs/dbraw/zinc/51/89/70/657518970.db2.gz SMLPYQGBTLCDED-QWHCGFSZSA-N 2 2 296.415 -0.251 20 0 CBADLP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CC[NH+](CC(=O)N(C)C)C1 ZINC001015702736 657518995 /nfs/dbraw/zinc/51/89/95/657518995.db2.gz SMLPYQGBTLCDED-QWHCGFSZSA-N 2 2 296.415 -0.251 20 0 CBADLP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)C)C1 ZINC001015702736 657519014 /nfs/dbraw/zinc/51/90/14/657519014.db2.gz SMLPYQGBTLCDED-QWHCGFSZSA-N 2 2 296.415 -0.251 20 0 CBADLP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)C)C1 ZINC001015702736 657519030 /nfs/dbraw/zinc/51/90/30/657519030.db2.gz SMLPYQGBTLCDED-QWHCGFSZSA-N 2 2 296.415 -0.251 20 0 CBADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000913547990 657528080 /nfs/dbraw/zinc/52/80/80/657528080.db2.gz AGBSQIWJGQYQNT-UPJWGTAASA-N 2 2 269.389 -0.006 20 0 CBADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000913547990 657528085 /nfs/dbraw/zinc/52/80/85/657528085.db2.gz AGBSQIWJGQYQNT-UPJWGTAASA-N 2 2 269.389 -0.006 20 0 CBADLP CCC[C@@H](C(=O)N1CC[N@H+](C)[C@H](CO)C1)[NH+](C)C ZINC000913547622 657528589 /nfs/dbraw/zinc/52/85/89/657528589.db2.gz SHCBDMZJJQBIIH-RYUDHWBXSA-N 2 2 257.378 -0.148 20 0 CBADLP CCC[C@@H](C(=O)N1CC[N@@H+](C)[C@H](CO)C1)[NH+](C)C ZINC000913547622 657528591 /nfs/dbraw/zinc/52/85/91/657528591.db2.gz SHCBDMZJJQBIIH-RYUDHWBXSA-N 2 2 257.378 -0.148 20 0 CBADLP CC(C)[C@H](C(=O)N1CC[N@H+](C)[C@@H](CO)C1)[NH+](C)C ZINC000913548343 657533159 /nfs/dbraw/zinc/53/31/59/657533159.db2.gz KKYDMNKTOPRTKG-VXGBXAGGSA-N 2 2 257.378 -0.293 20 0 CBADLP CC(C)[C@H](C(=O)N1CC[N@@H+](C)[C@@H](CO)C1)[NH+](C)C ZINC000913548343 657533172 /nfs/dbraw/zinc/53/31/72/657533172.db2.gz KKYDMNKTOPRTKG-VXGBXAGGSA-N 2 2 257.378 -0.293 20 0 CBADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C)[C@@H](CO)C1 ZINC000913551684 657541786 /nfs/dbraw/zinc/54/17/86/657541786.db2.gz WMPYNCZVSCCCAR-CHWSQXEVSA-N 2 2 269.389 -0.004 20 0 CBADLP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C)[C@@H](CO)C1 ZINC000913551684 657541794 /nfs/dbraw/zinc/54/17/94/657541794.db2.gz WMPYNCZVSCCCAR-CHWSQXEVSA-N 2 2 269.389 -0.004 20 0 CBADLP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000913551684 657541802 /nfs/dbraw/zinc/54/18/02/657541802.db2.gz WMPYNCZVSCCCAR-CHWSQXEVSA-N 2 2 269.389 -0.004 20 0 CBADLP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000913551684 657541808 /nfs/dbraw/zinc/54/18/08/657541808.db2.gz WMPYNCZVSCCCAR-CHWSQXEVSA-N 2 2 269.389 -0.004 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)NC23CC[NH+](CC2)C3)C1 ZINC000913630847 657570388 /nfs/dbraw/zinc/57/03/88/657570388.db2.gz KXJUEGHXAUIBFF-NSHDSACASA-N 2 2 253.346 -0.329 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)NC23CC[NH+](CC2)C3)C1 ZINC000913630847 657570405 /nfs/dbraw/zinc/57/04/05/657570405.db2.gz KXJUEGHXAUIBFF-NSHDSACASA-N 2 2 253.346 -0.329 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001015901197 657599807 /nfs/dbraw/zinc/59/98/07/657599807.db2.gz ZULUFCDUXHJKLN-QWHCGFSZSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001015901197 657599822 /nfs/dbraw/zinc/59/98/22/657599822.db2.gz ZULUFCDUXHJKLN-QWHCGFSZSA-N 2 2 296.415 -0.217 20 0 CBADLP O=C(C[NH+]1CCCC1)N[C@@H]1CC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC001016251721 657668873 /nfs/dbraw/zinc/66/88/73/657668873.db2.gz NKGUWINJSYTLSY-CHWSQXEVSA-N 2 2 294.399 -0.449 20 0 CBADLP O=C(C[NH+]1CCCC1)N[C@@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001016251721 657668877 /nfs/dbraw/zinc/66/88/77/657668877.db2.gz NKGUWINJSYTLSY-CHWSQXEVSA-N 2 2 294.399 -0.449 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001016250706 657670835 /nfs/dbraw/zinc/67/08/35/657670835.db2.gz FPILYEFTXFJWFL-NWDGAFQWSA-N 2 2 282.388 -0.463 20 0 CBADLP CC[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001016250706 657670845 /nfs/dbraw/zinc/67/08/45/657670845.db2.gz FPILYEFTXFJWFL-NWDGAFQWSA-N 2 2 282.388 -0.463 20 0 CBADLP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CC[NH+](CC(=O)NC3CC3)C2)C1 ZINC001016253447 657671094 /nfs/dbraw/zinc/67/10/94/657671094.db2.gz GAZXKKBAAPNGJN-DGCLKSJQSA-N 2 2 294.399 -0.593 20 0 CBADLP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CC[NH+](CC(=O)NC3CC3)C2)C1 ZINC001016253447 657671108 /nfs/dbraw/zinc/67/11/08/657671108.db2.gz GAZXKKBAAPNGJN-DGCLKSJQSA-N 2 2 294.399 -0.593 20 0 CBADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CC[N@H+](CC(=O)NC3CC3)C2)C1 ZINC001016253447 657671119 /nfs/dbraw/zinc/67/11/19/657671119.db2.gz GAZXKKBAAPNGJN-DGCLKSJQSA-N 2 2 294.399 -0.593 20 0 CBADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC3CC3)C2)C1 ZINC001016253447 657671142 /nfs/dbraw/zinc/67/11/42/657671142.db2.gz GAZXKKBAAPNGJN-DGCLKSJQSA-N 2 2 294.399 -0.593 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001016260703 657674156 /nfs/dbraw/zinc/67/41/56/657674156.db2.gz RAAZFVINXAODTP-VXGBXAGGSA-N 2 2 293.371 -0.354 20 0 CBADLP CC[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001016260703 657674159 /nfs/dbraw/zinc/67/41/59/657674159.db2.gz RAAZFVINXAODTP-VXGBXAGGSA-N 2 2 293.371 -0.354 20 0 CBADLP CN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)C2)C1=O ZINC001016258464 657674200 /nfs/dbraw/zinc/67/42/00/657674200.db2.gz BUEWUEJKPARETE-STQMWFEESA-N 2 2 294.399 -0.497 20 0 CBADLP CN1CC[C@H]([N@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)C2)C1=O ZINC001016258464 657674214 /nfs/dbraw/zinc/67/42/14/657674214.db2.gz BUEWUEJKPARETE-STQMWFEESA-N 2 2 294.399 -0.497 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)C)C1 ZINC001016259784 657674822 /nfs/dbraw/zinc/67/48/22/657674822.db2.gz KGYOFMIFGZEOIP-GFCCVEGCSA-N 2 2 293.371 -0.530 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)C)C1 ZINC001016259784 657674834 /nfs/dbraw/zinc/67/48/34/657674834.db2.gz KGYOFMIFGZEOIP-GFCCVEGCSA-N 2 2 293.371 -0.530 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001016260698 657675125 /nfs/dbraw/zinc/67/51/25/657675125.db2.gz RAAZFVINXAODTP-NEPJUHHUSA-N 2 2 293.371 -0.354 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001016260698 657675129 /nfs/dbraw/zinc/67/51/29/657675129.db2.gz RAAZFVINXAODTP-NEPJUHHUSA-N 2 2 293.371 -0.354 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001016260163 657675383 /nfs/dbraw/zinc/67/53/83/657675383.db2.gz NCAFTAXCOUKCNM-ONGXEEELSA-N 2 2 279.344 -0.744 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001016260163 657675397 /nfs/dbraw/zinc/67/53/97/657675397.db2.gz NCAFTAXCOUKCNM-ONGXEEELSA-N 2 2 279.344 -0.744 20 0 CBADLP Cn1nncc1C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001016254731 657676135 /nfs/dbraw/zinc/67/61/35/657676135.db2.gz KELIOZSCNYYZOH-RYUDHWBXSA-N 2 2 292.387 -0.543 20 0 CBADLP Cn1nncc1C[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001016254731 657676149 /nfs/dbraw/zinc/67/61/49/657676149.db2.gz KELIOZSCNYYZOH-RYUDHWBXSA-N 2 2 292.387 -0.543 20 0 CBADLP Cn1nncc1C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001016254731 657676156 /nfs/dbraw/zinc/67/61/56/657676156.db2.gz KELIOZSCNYYZOH-RYUDHWBXSA-N 2 2 292.387 -0.543 20 0 CBADLP Cn1nncc1C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001016254731 657676164 /nfs/dbraw/zinc/67/61/64/657676164.db2.gz KELIOZSCNYYZOH-RYUDHWBXSA-N 2 2 292.387 -0.543 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC001016397324 657697630 /nfs/dbraw/zinc/69/76/30/657697630.db2.gz JRUYWZWRFDWALM-RYUDHWBXSA-N 2 2 291.355 -0.648 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001016397324 657697639 /nfs/dbraw/zinc/69/76/39/657697639.db2.gz JRUYWZWRFDWALM-RYUDHWBXSA-N 2 2 291.355 -0.648 20 0 CBADLP C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001016398724 657703108 /nfs/dbraw/zinc/70/31/08/657703108.db2.gz WIGZJSJGSNKPDB-VXGBXAGGSA-N 2 2 293.371 -0.450 20 0 CBADLP C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001016398724 657703111 /nfs/dbraw/zinc/70/31/11/657703111.db2.gz WIGZJSJGSNKPDB-VXGBXAGGSA-N 2 2 293.371 -0.450 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC12CC[NH+](CCO)CC2 ZINC001016930318 657739682 /nfs/dbraw/zinc/73/96/82/657739682.db2.gz LOVLMWQAOCHWPT-CYBMUJFWSA-N 2 2 292.383 -0.074 20 0 CBADLP COCC(=O)NC1CC[NH+](C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000915680230 657747084 /nfs/dbraw/zinc/74/70/84/657747084.db2.gz AQPKYGFFFLFNPH-CQSZACIVSA-N 2 2 299.415 -0.330 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)NC[C@@H]2CC[NH+]2C)CCO1 ZINC000915826958 657752510 /nfs/dbraw/zinc/75/25/10/657752510.db2.gz GCDKOEFWOYOKAJ-NEPJUHHUSA-N 2 2 270.377 -0.290 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)NC[C@@H]2CC[NH+]2C)CCO1 ZINC000915826958 657752519 /nfs/dbraw/zinc/75/25/19/657752519.db2.gz GCDKOEFWOYOKAJ-NEPJUHHUSA-N 2 2 270.377 -0.290 20 0 CBADLP C[C@@H]1C[NH+](CCNC(=O)NC[C@@H]2CC[N@@H+]2C)CCO1 ZINC000915826958 657752529 /nfs/dbraw/zinc/75/25/29/657752529.db2.gz GCDKOEFWOYOKAJ-NEPJUHHUSA-N 2 2 270.377 -0.290 20 0 CBADLP C[C@@H]1C[NH+](CCNC(=O)NC[C@@H]2CC[N@H+]2C)CCO1 ZINC000915826958 657752542 /nfs/dbraw/zinc/75/25/42/657752542.db2.gz GCDKOEFWOYOKAJ-NEPJUHHUSA-N 2 2 270.377 -0.290 20 0 CBADLP C[C@H](O)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001017441085 657759804 /nfs/dbraw/zinc/75/98/04/657759804.db2.gz NQPMIKSQLUEWOG-FQUUOJAGSA-N 2 2 297.399 -0.627 20 0 CBADLP C[C@H](O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001017441085 657759808 /nfs/dbraw/zinc/75/98/08/657759808.db2.gz NQPMIKSQLUEWOG-FQUUOJAGSA-N 2 2 297.399 -0.627 20 0 CBADLP C[C@H](O)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001017441085 657759815 /nfs/dbraw/zinc/75/98/15/657759815.db2.gz NQPMIKSQLUEWOG-FQUUOJAGSA-N 2 2 297.399 -0.627 20 0 CBADLP C[C@H](O)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001017441085 657759824 /nfs/dbraw/zinc/75/98/24/657759824.db2.gz NQPMIKSQLUEWOG-FQUUOJAGSA-N 2 2 297.399 -0.627 20 0 CBADLP C[N@@H+]1CC[C@@H]1CNC(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000916881987 657791533 /nfs/dbraw/zinc/79/15/33/657791533.db2.gz AKXRLDGEYWNENJ-GHMZBOCLSA-N 2 2 256.350 -0.680 20 0 CBADLP C[N@H+]1CC[C@@H]1CNC(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000916881987 657791542 /nfs/dbraw/zinc/79/15/42/657791542.db2.gz AKXRLDGEYWNENJ-GHMZBOCLSA-N 2 2 256.350 -0.680 20 0 CBADLP C[NH+]1CC[C@@H]1CNC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000916881987 657791550 /nfs/dbraw/zinc/79/15/50/657791550.db2.gz AKXRLDGEYWNENJ-GHMZBOCLSA-N 2 2 256.350 -0.680 20 0 CBADLP C[NH+]1CC[C@@H]1CNC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000916881987 657791559 /nfs/dbraw/zinc/79/15/59/657791559.db2.gz AKXRLDGEYWNENJ-GHMZBOCLSA-N 2 2 256.350 -0.680 20 0 CBADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000917224746 657803003 /nfs/dbraw/zinc/80/30/03/657803003.db2.gz UKQABGPFXFZZPW-STQMWFEESA-N 2 2 283.420 -0.374 20 0 CBADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@@H]1CC[N@H+]1C ZINC000917224746 657803019 /nfs/dbraw/zinc/80/30/19/657803019.db2.gz UKQABGPFXFZZPW-STQMWFEESA-N 2 2 283.420 -0.374 20 0 CBADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NC[C@@H]1CC[N@H+]1C ZINC000917224746 657803028 /nfs/dbraw/zinc/80/30/28/657803028.db2.gz UKQABGPFXFZZPW-STQMWFEESA-N 2 2 283.420 -0.374 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cnon2)C1 ZINC001018636339 657830263 /nfs/dbraw/zinc/83/02/63/657830263.db2.gz UDYJCUAMHILERN-JQWIXIFHSA-N 2 2 279.344 -0.146 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cnon2)C1 ZINC001018636339 657830264 /nfs/dbraw/zinc/83/02/64/657830264.db2.gz UDYJCUAMHILERN-JQWIXIFHSA-N 2 2 279.344 -0.146 20 0 CBADLP CC[C@H]([NH2+][C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1)C(N)=O ZINC001018949351 657854865 /nfs/dbraw/zinc/85/48/65/657854865.db2.gz DRRLFLHYWIHZIM-RYUDHWBXSA-N 2 2 293.371 -0.203 20 0 CBADLP CC[C@H]([NH2+][C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1)C(N)=O ZINC001018949351 657854868 /nfs/dbraw/zinc/85/48/68/657854868.db2.gz DRRLFLHYWIHZIM-RYUDHWBXSA-N 2 2 293.371 -0.203 20 0 CBADLP O=C([C@H]1CCn2c[nH+]cc2C1)N1CC[C@H]([NH2+]CCO)C1 ZINC001019055861 657860282 /nfs/dbraw/zinc/86/02/82/657860282.db2.gz ACWADILWNGOQLG-RYUDHWBXSA-N 2 2 278.356 -0.372 20 0 CBADLP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CC[C@H]([NH2+]CCO)C1 ZINC001019061293 657861333 /nfs/dbraw/zinc/86/13/33/657861333.db2.gz XVLGZAKNDQLBCV-NEPJUHHUSA-N 2 2 278.356 -0.372 20 0 CBADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1CC[C@H]([NH2+]CCO)C1 ZINC001019192666 657869109 /nfs/dbraw/zinc/86/91/09/657869109.db2.gz LWZPWYKXQHKMNC-KBPBESRZSA-N 2 2 299.415 -0.330 20 0 CBADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1CC[C@H]([NH2+]CCO)C1 ZINC001019192666 657869111 /nfs/dbraw/zinc/86/91/11/657869111.db2.gz LWZPWYKXQHKMNC-KBPBESRZSA-N 2 2 299.415 -0.330 20 0 CBADLP C[C@@H](O)C[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001019213035 657870997 /nfs/dbraw/zinc/87/09/97/657870997.db2.gz ZSOOUGIRVQFYMZ-NEPJUHHUSA-N 2 2 266.345 -0.156 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+]Cc2cc[nH]c(=O)c2)CC1 ZINC000921608931 657922324 /nfs/dbraw/zinc/92/23/24/657922324.db2.gz LCNQDWMVGQAGML-UHFFFAOYSA-N 2 2 264.329 -0.349 20 0 CBADLP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]([NH2+]Cc3cnon3)C2)C1 ZINC001019772383 657938172 /nfs/dbraw/zinc/93/81/72/657938172.db2.gz COBYLEFJJSIDPW-QWRGUYRKSA-N 2 2 279.344 -0.288 20 0 CBADLP C[N@H+]1CC[C@H](C(=O)N2CC[C@H]([NH2+]Cc3cnon3)C2)C1 ZINC001019772383 657938180 /nfs/dbraw/zinc/93/81/80/657938180.db2.gz COBYLEFJJSIDPW-QWRGUYRKSA-N 2 2 279.344 -0.288 20 0 CBADLP C[NH+](C)[C@@H](C(=O)N1CC[C@H]([NH2+]CCO)C1)c1cccnc1 ZINC001019833355 657951481 /nfs/dbraw/zinc/95/14/81/657951481.db2.gz JTJIIZDEZWNPDP-UONOGXRCSA-N 2 2 292.383 -0.133 20 0 CBADLP CN1CC[C@H]([NH2+][C@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)C1=O ZINC001019867807 657952374 /nfs/dbraw/zinc/95/23/74/657952374.db2.gz LIAAHMFUJQUZBR-RYUDHWBXSA-N 2 2 291.355 -0.696 20 0 CBADLP Cn1nncc1C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001019868876 657952910 /nfs/dbraw/zinc/95/29/10/657952910.db2.gz LYJCQVPOHPLLQV-NSHDSACASA-N 2 2 289.343 -0.598 20 0 CBADLP Cn1nnc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)n1 ZINC001020026276 657991213 /nfs/dbraw/zinc/99/12/13/657991213.db2.gz NQPMAOXCVZPYGE-DCAQKATOSA-N 2 2 293.375 -0.959 20 0 CBADLP Cn1nnc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)n1 ZINC001020026276 657991242 /nfs/dbraw/zinc/99/12/42/657991242.db2.gz NQPMAOXCVZPYGE-DCAQKATOSA-N 2 2 293.375 -0.959 20 0 CBADLP COc1cc[nH+]cc1CC(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001020287127 658034542 /nfs/dbraw/zinc/03/45/42/658034542.db2.gz TZUFJFFFEIFBPY-XYPYZODXSA-N 2 2 292.339 -0.645 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001020637017 658082258 /nfs/dbraw/zinc/08/22/58/658082258.db2.gz LGODPXKSWGUIEL-XYPYZODXSA-N 2 2 291.355 -0.579 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001020930404 658120580 /nfs/dbraw/zinc/12/05/80/658120580.db2.gz RKAOPRHSUPUKDR-CKYFFXLPSA-N 2 2 291.355 -0.912 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@H]([NH2+]C[C@H](C)O)C1 ZINC001020980704 658124178 /nfs/dbraw/zinc/12/41/78/658124178.db2.gz RSPKIMYOZPXYCX-LSJOCFKGSA-N 2 2 266.345 -0.122 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001021126413 658149534 /nfs/dbraw/zinc/14/95/34/658149534.db2.gz OKCBWBDOLINKHZ-IJLUTSLNSA-N 2 2 291.355 -0.602 20 0 CBADLP C[C@H](CS(C)(=O)=O)[N@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923315025 658205375 /nfs/dbraw/zinc/20/53/75/658205375.db2.gz CHUKMJBGVBCZOA-MNOVXSKESA-N 2 2 276.402 -0.270 20 0 CBADLP C[C@H](CS(C)(=O)=O)[N@@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923315025 658205409 /nfs/dbraw/zinc/20/54/09/658205409.db2.gz CHUKMJBGVBCZOA-MNOVXSKESA-N 2 2 276.402 -0.270 20 0 CBADLP CC[C@H](O)C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000923331799 658213940 /nfs/dbraw/zinc/21/39/40/658213940.db2.gz GJIBBURKXXZKEV-NEPJUHHUSA-N 2 2 255.362 -0.347 20 0 CBADLP CC[C@H](O)C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000923331799 658213971 /nfs/dbraw/zinc/21/39/71/658213971.db2.gz GJIBBURKXXZKEV-NEPJUHHUSA-N 2 2 255.362 -0.347 20 0 CBADLP CCOCCOCC[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000923333274 658217449 /nfs/dbraw/zinc/21/74/49/658217449.db2.gz PZEJUTBDNPISRA-AWEZNQCLSA-N 2 2 299.415 -0.064 20 0 CBADLP CCOCCOCC[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000923333274 658217467 /nfs/dbraw/zinc/21/74/67/658217467.db2.gz PZEJUTBDNPISRA-AWEZNQCLSA-N 2 2 299.415 -0.064 20 0 CBADLP CCOCC[C@H](O)C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000923334272 658222667 /nfs/dbraw/zinc/22/26/67/658222667.db2.gz VHBRKDSBPUSPHZ-KBPBESRZSA-N 2 2 299.415 -0.330 20 0 CBADLP CCOCC[C@H](O)C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000923334272 658222683 /nfs/dbraw/zinc/22/26/83/658222683.db2.gz VHBRKDSBPUSPHZ-KBPBESRZSA-N 2 2 299.415 -0.330 20 0 CBADLP CC[N@H+](CCS(C)(=O)=O)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923370957 658240127 /nfs/dbraw/zinc/24/01/27/658240127.db2.gz MHWCUESBJHDLBZ-LLVKDONJSA-N 2 2 276.402 -0.269 20 0 CBADLP CC[N@@H+](CCS(C)(=O)=O)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923370957 658240146 /nfs/dbraw/zinc/24/01/46/658240146.db2.gz MHWCUESBJHDLBZ-LLVKDONJSA-N 2 2 276.402 -0.269 20 0 CBADLP COC[C@@H](C)OC[C@H](O)C[N@@H+]1CC2CC1(C[NH3+])C2 ZINC000923390486 658249383 /nfs/dbraw/zinc/24/93/83/658249383.db2.gz HXDCLASCFNMNOV-CQLXCSJHSA-N 2 2 258.362 -0.178 20 0 CBADLP COC[C@@H](C)OC[C@H](O)C[N@H+]1CC2CC1(C[NH3+])C2 ZINC000923390486 658249406 /nfs/dbraw/zinc/24/94/06/658249406.db2.gz HXDCLASCFNMNOV-CQLXCSJHSA-N 2 2 258.362 -0.178 20 0 CBADLP [NH3+]CC12CC(C1)C[N@@H+]2C[C@@H](O)COC[C@@H]1CCCO1 ZINC000923391186 658255194 /nfs/dbraw/zinc/25/51/94/658255194.db2.gz MLXJREYPYZOXOB-DKNRTOFZSA-N 2 2 270.373 -0.034 20 0 CBADLP [NH3+]CC12CC(C1)C[N@H+]2C[C@@H](O)COC[C@@H]1CCCO1 ZINC000923391186 658255200 /nfs/dbraw/zinc/25/52/00/658255200.db2.gz MLXJREYPYZOXOB-DKNRTOFZSA-N 2 2 270.373 -0.034 20 0 CBADLP [NH3+][C@@]1(CO)CCC[N@H+](CCC(=O)N2CCOCC2)C1 ZINC000923475956 658301532 /nfs/dbraw/zinc/30/15/32/658301532.db2.gz BUKMQQSSLQYECT-ZDUSSCGKSA-N 2 2 271.361 -0.979 20 0 CBADLP [NH3+][C@@]1(CO)CCC[N@@H+](CCC(=O)N2CCOCC2)C1 ZINC000923475956 658301538 /nfs/dbraw/zinc/30/15/38/658301538.db2.gz BUKMQQSSLQYECT-ZDUSSCGKSA-N 2 2 271.361 -0.979 20 0 CBADLP NC(=O)NC(=O)CC[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923537844 658316630 /nfs/dbraw/zinc/31/66/30/658316630.db2.gz DJKCUOAXZDDJST-LBPRGKRZSA-N 2 2 254.334 -0.211 20 0 CBADLP NC(=O)NC(=O)CC[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923537844 658316641 /nfs/dbraw/zinc/31/66/41/658316641.db2.gz DJKCUOAXZDDJST-LBPRGKRZSA-N 2 2 254.334 -0.211 20 0 CBADLP C[C@@H]1C[N@@H+](CCCNS(=O)(=O)C2C[NH2+]C2)C[C@H](C)O1 ZINC000923584795 658337952 /nfs/dbraw/zinc/33/79/52/658337952.db2.gz XMNZUPYEQTUUIH-PHIMTYICSA-N 2 2 291.417 -0.623 20 0 CBADLP C[C@@H]1C[N@H+](CCCNS(=O)(=O)C2C[NH2+]C2)C[C@H](C)O1 ZINC000923584795 658337968 /nfs/dbraw/zinc/33/79/68/658337968.db2.gz XMNZUPYEQTUUIH-PHIMTYICSA-N 2 2 291.417 -0.623 20 0 CBADLP CC(C)C[N@@H+]1CCO[C@H](CNS(=O)(=O)C2C[NH2+]C2)C1 ZINC000923589939 658340706 /nfs/dbraw/zinc/34/07/06/658340706.db2.gz SIGPDSREUOXYBX-LLVKDONJSA-N 2 2 291.417 -0.766 20 0 CBADLP CC(C)C[N@H+]1CCO[C@H](CNS(=O)(=O)C2C[NH2+]C2)C1 ZINC000923589939 658340716 /nfs/dbraw/zinc/34/07/16/658340716.db2.gz SIGPDSREUOXYBX-LLVKDONJSA-N 2 2 291.417 -0.766 20 0 CBADLP C[C@H]1CCN(S(=O)(=O)N2CC[NH2+]CC[NH2+]CC2)C1 ZINC000923691263 658398489 /nfs/dbraw/zinc/39/84/89/658398489.db2.gz NLSZYLBEMMXQOF-NSHDSACASA-N 2 2 276.406 -0.932 20 0 CBADLP CCN(CC1CC1)S(=O)(=O)N1CC[NH2+]CC[NH2+]CC1 ZINC000923692659 658398711 /nfs/dbraw/zinc/39/87/11/658398711.db2.gz RODGJUNEUPDADF-UHFFFAOYSA-N 2 2 290.433 -0.542 20 0 CBADLP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2CC[N@@H+]2C)CC1 ZINC000925424033 658845370 /nfs/dbraw/zinc/84/53/70/658845370.db2.gz IGUDGPPRNVKDTD-RYUDHWBXSA-N 2 2 270.377 -0.602 20 0 CBADLP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2CC[N@H+]2C)CC1 ZINC000925424033 658845379 /nfs/dbraw/zinc/84/53/79/658845379.db2.gz IGUDGPPRNVKDTD-RYUDHWBXSA-N 2 2 270.377 -0.602 20 0 CBADLP C[C@@H]1C[NH+](CCO)[C@H](C)CN1C(=O)NC[C@@H]1CC[N@H+]1C ZINC000925426270 658847115 /nfs/dbraw/zinc/84/71/15/658847115.db2.gz MHRRLFPNEGYCNQ-UPJWGTAASA-N 2 2 284.404 -0.213 20 0 CBADLP CC1(C)COCC[N@@H+]1CCN[C@H]1C[NH2+]CCOC1 ZINC000925479609 658856291 /nfs/dbraw/zinc/85/62/91/658856291.db2.gz SNKWAIZRTMPPKI-LBPRGKRZSA-N 2 2 257.378 -0.325 20 0 CBADLP CC1(C)COCC[N@H+]1CCN[C@H]1C[NH2+]CCOC1 ZINC000925479609 658856298 /nfs/dbraw/zinc/85/62/98/658856298.db2.gz SNKWAIZRTMPPKI-LBPRGKRZSA-N 2 2 257.378 -0.325 20 0 CBADLP C(N[C@@H]1C[NH2+]CCOC1)C1([NH+]2CCOCC2)CCOCC1 ZINC000925690998 658865563 /nfs/dbraw/zinc/86/55/63/658865563.db2.gz HVWDVDXDKYRREO-CQSZACIVSA-N 2 2 299.415 -0.554 20 0 CBADLP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1nnc2n1CCNC2=O ZINC000925767501 658870770 /nfs/dbraw/zinc/87/07/70/658870770.db2.gz VHKOHPKYMIIJCL-VHSXEESVSA-N 2 2 278.360 -0.371 20 0 CBADLP C[N@@H+]1CC[C@@](O)(C[NH2+]C2[C@@H]3CC[C@H]2C[NH+](C)C3)C1 ZINC000926174929 658888310 /nfs/dbraw/zinc/88/83/10/658888310.db2.gz TVYNIXXFIHOXCQ-QNMSZWNNSA-N 3 2 253.390 -0.017 20 0 CBADLP C[N@H+]1CC[C@@](O)(C[NH2+]C2[C@@H]3CC[C@H]2C[NH+](C)C3)C1 ZINC000926174929 658888312 /nfs/dbraw/zinc/88/83/12/658888312.db2.gz TVYNIXXFIHOXCQ-QNMSZWNNSA-N 3 2 253.390 -0.017 20 0 CBADLP C[NH+]1CC[C@@](O)(C[NH2+]C2[C@@H]3CC[C@H]2C[N@@H+](C)C3)C1 ZINC000926174929 658888316 /nfs/dbraw/zinc/88/83/16/658888316.db2.gz TVYNIXXFIHOXCQ-QNMSZWNNSA-N 3 2 253.390 -0.017 20 0 CBADLP C[NH+]1CC[C@@](O)(C[NH2+]C2[C@@H]3CC[C@H]2C[N@H+](C)C3)C1 ZINC000926174929 658888318 /nfs/dbraw/zinc/88/83/18/658888318.db2.gz TVYNIXXFIHOXCQ-QNMSZWNNSA-N 3 2 253.390 -0.017 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)CC1 ZINC000926281651 658889137 /nfs/dbraw/zinc/88/91/37/658889137.db2.gz RBRHLOZNFVQWIE-GFCCVEGCSA-N 2 2 282.388 -0.652 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[C@H](C[NH3+])[C@@H](C)C2)CC1 ZINC000926282933 658889887 /nfs/dbraw/zinc/88/98/87/658889887.db2.gz ZAFSNXLWTYTIKZ-QWHCGFSZSA-N 2 2 296.415 -0.406 20 0 CBADLP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CC[NH2+]CC1 ZINC000926443632 658900320 /nfs/dbraw/zinc/90/03/20/658900320.db2.gz PBHTXPOTLUTAPF-CYBMUJFWSA-N 2 2 296.415 -0.393 20 0 CBADLP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CC[NH2+]CC1 ZINC000926443632 658900329 /nfs/dbraw/zinc/90/03/29/658900329.db2.gz PBHTXPOTLUTAPF-CYBMUJFWSA-N 2 2 296.415 -0.393 20 0 CBADLP CON1CCC([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000926748664 658912441 /nfs/dbraw/zinc/91/24/41/658912441.db2.gz HQPFPNTUQRIAEO-ZDUSSCGKSA-N 2 2 284.404 -0.058 20 0 CBADLP CON1CCC([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000926748664 658912445 /nfs/dbraw/zinc/91/24/45/658912445.db2.gz HQPFPNTUQRIAEO-ZDUSSCGKSA-N 2 2 284.404 -0.058 20 0 CBADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1cnnn1C ZINC000926747402 658912647 /nfs/dbraw/zinc/91/26/47/658912647.db2.gz AXRPUGMJHKCELG-MNOVXSKESA-N 2 2 280.376 -0.195 20 0 CBADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1cnnn1C ZINC000926747402 658912651 /nfs/dbraw/zinc/91/26/51/658912651.db2.gz AXRPUGMJHKCELG-MNOVXSKESA-N 2 2 280.376 -0.195 20 0 CBADLP C[C@H](C[C@H]1CCC(=O)N1)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000926748053 658912798 /nfs/dbraw/zinc/91/27/98/658912798.db2.gz DWSDYBJBNZIXEA-UPJWGTAASA-N 2 2 296.415 -0.027 20 0 CBADLP C[C@H](C[C@H]1CCC(=O)N1)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000926748053 658912801 /nfs/dbraw/zinc/91/28/01/658912801.db2.gz DWSDYBJBNZIXEA-UPJWGTAASA-N 2 2 296.415 -0.027 20 0 CBADLP C[C@@H]1COC[C@@H]1[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000926750127 658912977 /nfs/dbraw/zinc/91/29/77/658912977.db2.gz PEIIXVTVDLDJDH-WOPDTQHZSA-N 2 2 255.362 -0.049 20 0 CBADLP C[C@@H]1COC[C@@H]1[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000926750127 658912980 /nfs/dbraw/zinc/91/29/80/658912980.db2.gz PEIIXVTVDLDJDH-WOPDTQHZSA-N 2 2 255.362 -0.049 20 0 CBADLP C[C@H]1COC[C@H]1[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000926750124 658913074 /nfs/dbraw/zinc/91/30/74/658913074.db2.gz PEIIXVTVDLDJDH-TUAOUCFPSA-N 2 2 255.362 -0.049 20 0 CBADLP C[C@H]1COC[C@H]1[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000926750124 658913076 /nfs/dbraw/zinc/91/30/76/658913076.db2.gz PEIIXVTVDLDJDH-TUAOUCFPSA-N 2 2 255.362 -0.049 20 0 CBADLP Cc1nnc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)[nH]1 ZINC000967924455 658916404 /nfs/dbraw/zinc/91/64/04/658916404.db2.gz IMIGEHXMOPTWEQ-VXGBXAGGSA-N 2 2 292.387 -0.102 20 0 CBADLP Cc1nnc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)[nH]1 ZINC000967924455 658916406 /nfs/dbraw/zinc/91/64/06/658916406.db2.gz IMIGEHXMOPTWEQ-VXGBXAGGSA-N 2 2 292.387 -0.102 20 0 CBADLP C[C@H]1CC[N@H+](CCO)C[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC000968544134 658931671 /nfs/dbraw/zinc/93/16/71/658931671.db2.gz IDGHBXDHRSBFMI-AAEUAGOBSA-N 2 2 280.372 -0.219 20 0 CBADLP C[C@H]1CC[N@@H+](CCO)C[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC000968544134 658931672 /nfs/dbraw/zinc/93/16/72/658931672.db2.gz IDGHBXDHRSBFMI-AAEUAGOBSA-N 2 2 280.372 -0.219 20 0 CBADLP O=C([C@H]1CCn2c[nH+]cc2C1)N1CC[C@@H]([NH2+]CCO)C1 ZINC000969124165 658950796 /nfs/dbraw/zinc/95/07/96/658950796.db2.gz ACWADILWNGOQLG-NWDGAFQWSA-N 2 2 278.356 -0.372 20 0 CBADLP C[C@@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)C1C[NH+](CCO)C1 ZINC000969998490 659028938 /nfs/dbraw/zinc/02/89/38/659028938.db2.gz UEOHPKWMMWWZKR-NEPJUHHUSA-N 2 2 292.383 -0.126 20 0 CBADLP C[N@@H+]1CC[C@H]1CNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000928556196 659038446 /nfs/dbraw/zinc/03/84/46/659038446.db2.gz OUNAZMTYGQYTCQ-JDGPPOGSSA-N 2 2 253.346 -0.305 20 0 CBADLP C[N@H+]1CC[C@H]1CNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000928556196 659038452 /nfs/dbraw/zinc/03/84/52/659038452.db2.gz OUNAZMTYGQYTCQ-JDGPPOGSSA-N 2 2 253.346 -0.305 20 0 CBADLP O=C(C[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1)N1CCC1 ZINC000970858236 659072550 /nfs/dbraw/zinc/07/25/50/659072550.db2.gz UAAOGJCHIBHKGL-GFCCVEGCSA-N 2 2 291.355 -0.694 20 0 CBADLP CC(=O)NCCCCC[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000929259071 659109263 /nfs/dbraw/zinc/10/92/63/659109263.db2.gz PGUPMKQBFDJRTA-UHFFFAOYSA-N 2 2 298.431 -0.001 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]([N@H+](C)CCO)C1 ZINC000980272693 659264264 /nfs/dbraw/zinc/26/42/64/659264264.db2.gz ZUYZVWCTXDFBCD-LLVKDONJSA-N 2 2 266.345 -0.214 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]([N@@H+](C)CCO)C1 ZINC000980272693 659264267 /nfs/dbraw/zinc/26/42/67/659264267.db2.gz ZUYZVWCTXDFBCD-LLVKDONJSA-N 2 2 266.345 -0.214 20 0 CBADLP CC(C)C[NH2+]C1(CO)CC[NH+](C[C@H](O)[C@@H](C)O)CC1 ZINC000930625715 659312717 /nfs/dbraw/zinc/31/27/17/659312717.db2.gz IGTVOJIZRGBXTJ-OLZOCXBDSA-N 2 2 274.405 -0.199 20 0 CBADLP NC(=O)C[NH2+][C@H]1CCC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000981417644 659318067 /nfs/dbraw/zinc/31/80/67/659318067.db2.gz MCTUIVYMZADGPF-VHSXEESVSA-N 2 2 279.344 -0.546 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCC[C@@H]([NH2+]CCO)C1 ZINC000981462703 659318809 /nfs/dbraw/zinc/31/88/09/659318809.db2.gz YTURMJNLSZBQSS-VXGBXAGGSA-N 2 2 280.372 -0.028 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@H]1CCC[C@@H]([NH2+]CCO)C1 ZINC000981550503 659323197 /nfs/dbraw/zinc/32/31/97/659323197.db2.gz NQAWXHJBNMDJFS-NEPJUHHUSA-N 2 2 266.345 -0.108 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CCCN(C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC000981953484 659337301 /nfs/dbraw/zinc/33/73/01/659337301.db2.gz OFRMDOWLJBDFBV-CHWSQXEVSA-N 2 2 296.415 -0.121 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CCCN(C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC000981953484 659337307 /nfs/dbraw/zinc/33/73/07/659337307.db2.gz OFRMDOWLJBDFBV-CHWSQXEVSA-N 2 2 296.415 -0.121 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CCCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC000981953484 659337309 /nfs/dbraw/zinc/33/73/09/659337309.db2.gz OFRMDOWLJBDFBV-CHWSQXEVSA-N 2 2 296.415 -0.121 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CCCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC000981953484 659337314 /nfs/dbraw/zinc/33/73/14/659337314.db2.gz OFRMDOWLJBDFBV-CHWSQXEVSA-N 2 2 296.415 -0.121 20 0 CBADLP C[N@H+](CC(N)=O)C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000985400672 659385890 /nfs/dbraw/zinc/38/58/90/659385890.db2.gz DCOQEZRVZGNQBP-UHFFFAOYSA-N 2 2 293.371 -0.250 20 0 CBADLP C[N@@H+](CC(N)=O)C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000985400672 659385892 /nfs/dbraw/zinc/38/58/92/659385892.db2.gz DCOQEZRVZGNQBP-UHFFFAOYSA-N 2 2 293.371 -0.250 20 0 CBADLP COC(=O)CN(C)C(=O)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931279373 659423321 /nfs/dbraw/zinc/42/33/21/659423321.db2.gz HNIBSFXGRUNWJR-YABSGUDNSA-N 2 2 283.372 -0.500 20 0 CBADLP COC(=O)CN(C)C(=O)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931279373 659423336 /nfs/dbraw/zinc/42/33/36/659423336.db2.gz HNIBSFXGRUNWJR-YABSGUDNSA-N 2 2 283.372 -0.500 20 0 CBADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@@](O)(C(N)=O)c3ccccc3)C[C@H]21 ZINC000931277764 659423457 /nfs/dbraw/zinc/42/34/57/659423457.db2.gz PCFRFGJFTZALGR-NHIYQJMISA-N 2 2 289.379 -0.149 20 0 CBADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[C@@](O)(C(N)=O)c3ccccc3)C[C@H]21 ZINC000931277764 659423481 /nfs/dbraw/zinc/42/34/81/659423481.db2.gz PCFRFGJFTZALGR-NHIYQJMISA-N 2 2 289.379 -0.149 20 0 CBADLP C[C@@H]1[C@H]([NH2+]CC(N)=O)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000986211610 659430698 /nfs/dbraw/zinc/43/06/98/659430698.db2.gz IHFMYAOPIYBOFS-NXEZZACHSA-N 2 2 279.344 -0.593 20 0 CBADLP C[C@@H]1[C@H]([NH2+]CCO)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000986211650 659431562 /nfs/dbraw/zinc/43/15/62/659431562.db2.gz JBRVBOJDBAWTMN-GHMZBOCLSA-N 2 2 266.345 -0.086 20 0 CBADLP C[C@@H]1[C@H]([NH2+]CCO)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000986343697 659446867 /nfs/dbraw/zinc/44/68/67/659446867.db2.gz MBPJLPDONDVSSA-ZYHUDNBSSA-N 2 2 266.345 -0.086 20 0 CBADLP C[C@@H]1[C@H]([NH2+]CCO)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000986343697 659446874 /nfs/dbraw/zinc/44/68/74/659446874.db2.gz MBPJLPDONDVSSA-ZYHUDNBSSA-N 2 2 266.345 -0.086 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)N2CC[N@H+](C)[C@@H](CO)C2)CC1 ZINC000931412648 659457165 /nfs/dbraw/zinc/45/71/65/659457165.db2.gz ZIEAVXZKCKCZFK-UONOGXRCSA-N 2 2 298.431 -0.853 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)N2CC[N@@H+](C)[C@@H](CO)C2)CC1 ZINC000931412648 659457173 /nfs/dbraw/zinc/45/71/73/659457173.db2.gz ZIEAVXZKCKCZFK-UONOGXRCSA-N 2 2 298.431 -0.853 20 0 CBADLP C[C@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000987072291 659488191 /nfs/dbraw/zinc/48/81/91/659488191.db2.gz ZTQWLBORNKFMPV-WPRPVWTQSA-N 2 2 265.317 -0.984 20 0 CBADLP COC1(OC)CC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C[C@H]1O ZINC000931633004 659497166 /nfs/dbraw/zinc/49/71/66/659497166.db2.gz FMCHIGDDLURRAQ-CHWSQXEVSA-N 2 2 288.388 -0.503 20 0 CBADLP COC1(OC)CC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C[C@H]1O ZINC000931633004 659497170 /nfs/dbraw/zinc/49/71/70/659497170.db2.gz FMCHIGDDLURRAQ-CHWSQXEVSA-N 2 2 288.388 -0.503 20 0 CBADLP COC1(OC)CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C[C@H]1O ZINC000931633004 659497172 /nfs/dbraw/zinc/49/71/72/659497172.db2.gz FMCHIGDDLURRAQ-CHWSQXEVSA-N 2 2 288.388 -0.503 20 0 CBADLP COC1(OC)CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C[C@H]1O ZINC000931633004 659497182 /nfs/dbraw/zinc/49/71/82/659497182.db2.gz FMCHIGDDLURRAQ-CHWSQXEVSA-N 2 2 288.388 -0.503 20 0 CBADLP C[C@H]1[C@H]([NH2+]CCO)CCN1C(=O)Cc1c[nH+]cn1C ZINC000987348254 659502696 /nfs/dbraw/zinc/50/26/96/659502696.db2.gz LOPMNNLHZLZNOR-CMPLNLGQSA-N 2 2 266.345 -0.466 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]([NH2+]CC(N)=O)[C@H]1C ZINC000987424034 659505866 /nfs/dbraw/zinc/50/58/66/659505866.db2.gz YIQMAFKPBWUWKD-ZJUUUORDSA-N 2 2 279.344 -0.675 20 0 CBADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)NC[C@@H]1CC[NH+]1C ZINC000931880032 659541485 /nfs/dbraw/zinc/54/14/85/659541485.db2.gz ZVUPHMIICWGZQY-STQMWFEESA-N 2 2 296.415 -0.395 20 0 CBADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC[C@@H]1CC[NH+]1C ZINC000931880032 659541493 /nfs/dbraw/zinc/54/14/93/659541493.db2.gz ZVUPHMIICWGZQY-STQMWFEESA-N 2 2 296.415 -0.395 20 0 CBADLP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000931880032 659541505 /nfs/dbraw/zinc/54/15/05/659541505.db2.gz ZVUPHMIICWGZQY-STQMWFEESA-N 2 2 296.415 -0.395 20 0 CBADLP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000931880032 659541514 /nfs/dbraw/zinc/54/15/14/659541514.db2.gz ZVUPHMIICWGZQY-STQMWFEESA-N 2 2 296.415 -0.395 20 0 CBADLP C[C@H]1C[C@@H]([NH2+]CCO)CN1C(=O)CCn1cc[nH+]c1 ZINC000989267283 659577431 /nfs/dbraw/zinc/57/74/31/659577431.db2.gz SPDUGZYEYROOHW-NWDGAFQWSA-N 2 2 266.345 -0.156 20 0 CBADLP C[C@@H]1C[C@@H]([NH2+]CCO)CN1C(=O)CCn1cc[nH+]c1 ZINC000989267285 659577720 /nfs/dbraw/zinc/57/77/20/659577720.db2.gz SPDUGZYEYROOHW-VXGBXAGGSA-N 2 2 266.345 -0.156 20 0 CBADLP C[C@@H]1C[C@@H]([NH2+]CCO)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC000989492225 659589256 /nfs/dbraw/zinc/58/92/56/659589256.db2.gz LOJFREMSAATCSX-MWLCHTKSSA-N 2 2 252.318 -0.477 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CCC[N@H+](CCO)CC1 ZINC000989486508 659589312 /nfs/dbraw/zinc/58/93/12/659589312.db2.gz NDUQDKQXFSEABE-UHFFFAOYSA-N 2 2 266.345 -0.511 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CCC[N@@H+](CCO)CC1 ZINC000989486508 659589320 /nfs/dbraw/zinc/58/93/20/659589320.db2.gz NDUQDKQXFSEABE-UHFFFAOYSA-N 2 2 266.345 -0.511 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CCCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000989491285 659590210 /nfs/dbraw/zinc/59/02/10/659590210.db2.gz WADFKZWWTZKIEM-LBPRGKRZSA-N 2 2 294.399 -0.510 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CCCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000989491285 659590216 /nfs/dbraw/zinc/59/02/16/659590216.db2.gz WADFKZWWTZKIEM-LBPRGKRZSA-N 2 2 294.399 -0.510 20 0 CBADLP C[N@@H+]1CC[C@H](C(=O)N2CCC[NH+]([C@@H]3CCNC3=O)CC2)C1 ZINC000989662299 659607309 /nfs/dbraw/zinc/60/73/09/659607309.db2.gz RZXHJTVNQWRMLA-QWHCGFSZSA-N 2 2 294.399 -0.639 20 0 CBADLP C[N@H+]1CC[C@H](C(=O)N2CCC[NH+]([C@@H]3CCNC3=O)CC2)C1 ZINC000989662299 659607314 /nfs/dbraw/zinc/60/73/14/659607314.db2.gz RZXHJTVNQWRMLA-QWHCGFSZSA-N 2 2 294.399 -0.639 20 0 CBADLP C[NH+]1CC[C@H](C(=O)N2CCC[N@@H+]([C@@H]3CCNC3=O)CC2)C1 ZINC000989662299 659607320 /nfs/dbraw/zinc/60/73/20/659607320.db2.gz RZXHJTVNQWRMLA-QWHCGFSZSA-N 2 2 294.399 -0.639 20 0 CBADLP C[NH+]1CC[C@H](C(=O)N2CCC[N@H+]([C@@H]3CCNC3=O)CC2)C1 ZINC000989662299 659607323 /nfs/dbraw/zinc/60/73/23/659607323.db2.gz RZXHJTVNQWRMLA-QWHCGFSZSA-N 2 2 294.399 -0.639 20 0 CBADLP COCC[NH+]1CCN(C(=O)COC2CC[NH+](C)CC2)CC1 ZINC000932687851 659615721 /nfs/dbraw/zinc/61/57/21/659615721.db2.gz GAHLELKDQPNVNP-UHFFFAOYSA-N 2 2 299.415 -0.112 20 0 CBADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@H](CS(N)(=O)=O)C1 ZINC000932947538 659643459 /nfs/dbraw/zinc/64/34/59/659643459.db2.gz NPHTUWXNHCKAGM-JTQLQIEISA-N 2 2 272.374 -0.427 20 0 CBADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@H](CS(N)(=O)=O)C1 ZINC000932947538 659643469 /nfs/dbraw/zinc/64/34/69/659643469.db2.gz NPHTUWXNHCKAGM-JTQLQIEISA-N 2 2 272.374 -0.427 20 0 CBADLP C[N@@H+]1C[C@@H]2C[NH+](CCN3CCNC3=O)C[C@]2(C)C1 ZINC000933732486 659734786 /nfs/dbraw/zinc/73/47/86/659734786.db2.gz KOLHNONLQMXHGN-YPMHNXCESA-N 2 2 252.362 -0.105 20 0 CBADLP C[N@H+]1C[C@@H]2C[NH+](CCN3CCNC3=O)C[C@]2(C)C1 ZINC000933732486 659734790 /nfs/dbraw/zinc/73/47/90/659734790.db2.gz KOLHNONLQMXHGN-YPMHNXCESA-N 2 2 252.362 -0.105 20 0 CBADLP C[NH+]1C[C@@H]2C[N@H+](CCN3CCNC3=O)C[C@]2(C)C1 ZINC000933732486 659734793 /nfs/dbraw/zinc/73/47/93/659734793.db2.gz KOLHNONLQMXHGN-YPMHNXCESA-N 2 2 252.362 -0.105 20 0 CBADLP C[NH+]1C[C@@H]2C[N@@H+](CCN3CCNC3=O)C[C@]2(C)C1 ZINC000933732486 659734796 /nfs/dbraw/zinc/73/47/96/659734796.db2.gz KOLHNONLQMXHGN-YPMHNXCESA-N 2 2 252.362 -0.105 20 0 CBADLP C[C@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CCC[N@@H+]1CCO ZINC000994509166 659882737 /nfs/dbraw/zinc/88/27/37/659882737.db2.gz QWZRXCNABKAJLZ-RYUDHWBXSA-N 2 2 266.345 -0.156 20 0 CBADLP C[C@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CCC[N@H+]1CCO ZINC000994509166 659882739 /nfs/dbraw/zinc/88/27/39/659882739.db2.gz QWZRXCNABKAJLZ-RYUDHWBXSA-N 2 2 266.345 -0.156 20 0 CBADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1[NH2+]CCO ZINC000939209592 659884391 /nfs/dbraw/zinc/88/43/91/659884391.db2.gz HVGNJKZJNIXPKL-KOLCDFICSA-N 2 2 252.318 -0.619 20 0 CBADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]CCO ZINC000939209593 659884657 /nfs/dbraw/zinc/88/46/57/659884657.db2.gz HVGNJKZJNIXPKL-MWLCHTKSSA-N 2 2 252.318 -0.619 20 0 CBADLP C[C@H]1C[N@@H+](CCO)CC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000943175172 659928462 /nfs/dbraw/zinc/92/84/62/659928462.db2.gz GUEOYFVSMVIPNR-JQWIXIFHSA-N 2 2 266.345 -0.229 20 0 CBADLP C[C@H]1C[N@H+](CCO)CC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000943175172 659928459 /nfs/dbraw/zinc/92/84/59/659928459.db2.gz GUEOYFVSMVIPNR-JQWIXIFHSA-N 2 2 266.345 -0.229 20 0 CBADLP C[C@H]1C[N@H+](CCO)CC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000943766618 659932082 /nfs/dbraw/zinc/93/20/82/659932082.db2.gz LPCKVZOOHANNSZ-QWRGUYRKSA-N 2 2 266.345 -0.229 20 0 CBADLP C[C@H]1C[N@@H+](CCO)CC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000943766618 659932087 /nfs/dbraw/zinc/93/20/87/659932087.db2.gz LPCKVZOOHANNSZ-QWRGUYRKSA-N 2 2 266.345 -0.229 20 0 CBADLP C[C@@H]1C[N@H+](CCO)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945810866 659943558 /nfs/dbraw/zinc/94/35/58/659943558.db2.gz YDLOFQVGDHIFKB-NEPJUHHUSA-N 2 2 266.345 -0.298 20 0 CBADLP C[C@@H]1C[N@@H+](CCO)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945810866 659943559 /nfs/dbraw/zinc/94/35/59/659943559.db2.gz YDLOFQVGDHIFKB-NEPJUHHUSA-N 2 2 266.345 -0.298 20 0 CBADLP C[C@@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[N@@H+]1CC(N)=O ZINC000947928580 659963050 /nfs/dbraw/zinc/96/30/50/659963050.db2.gz CWAOAVPJXXDQRR-MNOVXSKESA-N 2 2 293.371 -0.583 20 0 CBADLP C[C@@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[N@H+]1CC(N)=O ZINC000947928580 659963051 /nfs/dbraw/zinc/96/30/51/659963051.db2.gz CWAOAVPJXXDQRR-MNOVXSKESA-N 2 2 293.371 -0.583 20 0 CBADLP C[C@@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)CC[N@@H+]1CC(N)=O ZINC000947928579 659963123 /nfs/dbraw/zinc/96/31/23/659963123.db2.gz CWAOAVPJXXDQRR-GHMZBOCLSA-N 2 2 293.371 -0.583 20 0 CBADLP C[C@@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)CC[N@H+]1CC(N)=O ZINC000947928579 659963126 /nfs/dbraw/zinc/96/31/26/659963126.db2.gz CWAOAVPJXXDQRR-GHMZBOCLSA-N 2 2 293.371 -0.583 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001076504517 805578184 /nfs/dbraw/zinc/57/81/84/805578184.db2.gz DPAGHQGVMQYXDN-WCQYABFASA-N 2 2 278.356 -0.214 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001076504517 805578187 /nfs/dbraw/zinc/57/81/87/805578187.db2.gz DPAGHQGVMQYXDN-WCQYABFASA-N 2 2 278.356 -0.214 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001076571607 805581453 /nfs/dbraw/zinc/58/14/53/805581453.db2.gz PVOAGFBTWPUXNQ-RWMBFGLXSA-N 2 2 294.399 -0.511 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001076571607 805581458 /nfs/dbraw/zinc/58/14/58/805581458.db2.gz PVOAGFBTWPUXNQ-RWMBFGLXSA-N 2 2 294.399 -0.511 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC001076633175 805583695 /nfs/dbraw/zinc/58/36/95/805583695.db2.gz AVXSPLVOOAMUQF-QWHCGFSZSA-N 2 2 278.356 -0.202 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC001076633175 805583700 /nfs/dbraw/zinc/58/37/00/805583700.db2.gz AVXSPLVOOAMUQF-QWHCGFSZSA-N 2 2 278.356 -0.202 20 0 CBADLP CCCC[N@H+](CC(N)=O)CC(=O)N1CC[NH2+]CC1 ZINC000042696981 790326467 /nfs/dbraw/zinc/32/64/67/790326467.db2.gz IAAZADPHPDBGJV-UHFFFAOYSA-N 2 2 256.350 -0.994 20 0 CBADLP CCCC[N@@H+](CC(N)=O)CC(=O)N1CC[NH2+]CC1 ZINC000042696981 790326474 /nfs/dbraw/zinc/32/64/74/790326474.db2.gz IAAZADPHPDBGJV-UHFFFAOYSA-N 2 2 256.350 -0.994 20 0 CBADLP CC(C)[C@](C)([NH2+]C[C@@H](O)C[NH+]1CCCC1)C(N)=O ZINC000302626506 790469557 /nfs/dbraw/zinc/46/95/57/790469557.db2.gz BZGPXVUSLHAATH-YPMHNXCESA-N 2 2 257.378 -0.067 20 0 CBADLP COCCCNC(=O)[C@H](C)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000313990528 790478717 /nfs/dbraw/zinc/47/87/17/790478717.db2.gz RLALGLBOELNHMY-KBPBESRZSA-N 2 2 298.431 -0.493 20 0 CBADLP COCCCNC(=O)[C@@H](C)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000313990531 790479716 /nfs/dbraw/zinc/47/97/16/790479716.db2.gz RLALGLBOELNHMY-ZIAGYGMSSA-N 2 2 298.431 -0.493 20 0 CBADLP CN1CC[C@H]([NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)C1=O ZINC000385484302 790542899 /nfs/dbraw/zinc/54/28/99/790542899.db2.gz OWFVNEYZZKPQRH-NEPJUHHUSA-N 2 2 252.362 -0.803 20 0 CBADLP C[N@H+](CCN1CC[NH2+]CC1)C[C@@H](O)C[NH+]1CCCC1 ZINC000388372206 790555327 /nfs/dbraw/zinc/55/53/27/790555327.db2.gz JWZJLRTWDLOVCV-CQSZACIVSA-N 3 2 270.421 -0.720 20 0 CBADLP C[N@@H+](CCN1CC[NH2+]CC1)C[C@@H](O)C[NH+]1CCCC1 ZINC000388372206 790555336 /nfs/dbraw/zinc/55/53/36/790555336.db2.gz JWZJLRTWDLOVCV-CQSZACIVSA-N 3 2 270.421 -0.720 20 0 CBADLP O=C(C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1)N1CCCC1 ZINC000388171201 790556652 /nfs/dbraw/zinc/55/66/52/790556652.db2.gz VJPRNVJQIXISBD-ZDUSSCGKSA-N 2 2 266.389 -0.412 20 0 CBADLP Cc1nc(NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)nc(N)[nH+]1 ZINC000388907008 790557528 /nfs/dbraw/zinc/55/75/28/790557528.db2.gz NTUGTSMQCWLTAD-UWVGGRQHSA-N 2 2 264.333 -0.710 20 0 CBADLP Cc1nc(NC[C@H]2C[N@H+]3CCC[C@H]3CO2)nc(N)[nH+]1 ZINC000388907008 790557538 /nfs/dbraw/zinc/55/75/38/790557538.db2.gz NTUGTSMQCWLTAD-UWVGGRQHSA-N 2 2 264.333 -0.710 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](CC[NH3+])C1 ZINC000388803348 790557945 /nfs/dbraw/zinc/55/79/45/790557945.db2.gz UJOPYUMRQUJQOS-KGLIPLIRSA-N 3 2 273.421 -0.014 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](CC[NH3+])C1 ZINC000388803348 790557956 /nfs/dbraw/zinc/55/79/56/790557956.db2.gz UJOPYUMRQUJQOS-KGLIPLIRSA-N 3 2 273.421 -0.014 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000388803348 790557969 /nfs/dbraw/zinc/55/79/69/790557969.db2.gz UJOPYUMRQUJQOS-KGLIPLIRSA-N 3 2 273.421 -0.014 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000388803348 790557974 /nfs/dbraw/zinc/55/79/74/790557974.db2.gz UJOPYUMRQUJQOS-KGLIPLIRSA-N 3 2 273.421 -0.014 20 0 CBADLP CS(=O)(=O)N1CC[C@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C1 ZINC000400183717 790602646 /nfs/dbraw/zinc/60/26/46/790602646.db2.gz QIULIMDQWYOTET-LIBFEPKXSA-N 2 2 285.413 -0.394 20 0 CBADLP Cn1c[nH+]cc1CC[NH2+]Cc1ccc(S(N)(=O)=O)o1 ZINC000401738552 790606321 /nfs/dbraw/zinc/60/63/21/790606321.db2.gz DVJHOIJYSGCOIM-UHFFFAOYSA-N 2 2 284.341 -0.007 20 0 CBADLP O[C@H](CN1CCC([NH+]2CCC2)CC1)C[NH+]1CCOCC1 ZINC000700380291 790709698 /nfs/dbraw/zinc/70/96/98/790709698.db2.gz CYCVHZIJFWYKRY-OAHLLOKOSA-N 2 2 283.416 -0.150 20 0 CBADLP C[N@H+](C[C@H](O)CO)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000711820488 790747874 /nfs/dbraw/zinc/74/78/74/790747874.db2.gz JMRYDHTZPUVLAP-HOTGVXAUSA-N 2 2 294.395 -0.092 20 0 CBADLP C[N@@H+](C[C@H](O)CO)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000711820488 790747880 /nfs/dbraw/zinc/74/78/80/790747880.db2.gz JMRYDHTZPUVLAP-HOTGVXAUSA-N 2 2 294.395 -0.092 20 0 CBADLP C[NH+](C[C@H](O)CO)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000711820488 790747889 /nfs/dbraw/zinc/74/78/89/790747889.db2.gz JMRYDHTZPUVLAP-HOTGVXAUSA-N 2 2 294.395 -0.092 20 0 CBADLP C[NH+](C[C@H](O)CO)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000711820488 790747895 /nfs/dbraw/zinc/74/78/95/790747895.db2.gz JMRYDHTZPUVLAP-HOTGVXAUSA-N 2 2 294.395 -0.092 20 0 CBADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]C1CC(CC(N)=O)C1 ZINC000718523241 790759799 /nfs/dbraw/zinc/75/97/99/790759799.db2.gz FOXNSDWSGIQHKW-XKGSQUFQSA-N 2 2 255.362 -0.003 20 0 CBADLP C[C@@H]1CO[C@H](C(=O)NCC[NH+]2CCC([NH3+])CC2)C1 ZINC000718450123 790761285 /nfs/dbraw/zinc/76/12/85/790761285.db2.gz VPQXYEGWDOLEIL-JQWIXIFHSA-N 2 2 255.362 -0.049 20 0 CBADLP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCN(CC(=O)N(C)C)CC1 ZINC000721050896 790775962 /nfs/dbraw/zinc/77/59/62/790775962.db2.gz DXPNZDYJEJJKQS-OLZOCXBDSA-N 2 2 268.405 -0.452 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NCC[NH+]1CCC2(C1)OCCO2 ZINC000827825175 790868402 /nfs/dbraw/zinc/86/84/02/790868402.db2.gz MKFWKPLWFNWTLV-UHFFFAOYSA-N 2 2 285.388 -0.108 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NCC[NH+]1CCC2(C1)OCCO2 ZINC000827825175 790868410 /nfs/dbraw/zinc/86/84/10/790868410.db2.gz MKFWKPLWFNWTLV-UHFFFAOYSA-N 2 2 285.388 -0.108 20 0 CBADLP CC(C)[NH+](C)CC(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000827825175 790868421 /nfs/dbraw/zinc/86/84/21/790868421.db2.gz MKFWKPLWFNWTLV-UHFFFAOYSA-N 2 2 285.388 -0.108 20 0 CBADLP CC(C)[NH+](C)CC(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000827825175 790868431 /nfs/dbraw/zinc/86/84/31/790868431.db2.gz MKFWKPLWFNWTLV-UHFFFAOYSA-N 2 2 285.388 -0.108 20 0 CBADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@H]1C[C@@H]([NH2+]CCO)C1 ZINC001022122269 790991785 /nfs/dbraw/zinc/99/17/85/790991785.db2.gz SBPGCBMJKQMSMV-TXEJJXNPSA-N 2 2 292.383 -0.009 20 0 CBADLP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1)C(N)=O ZINC001022230563 790997460 /nfs/dbraw/zinc/99/74/60/790997460.db2.gz ZKDAPRXEMCNLTQ-FBDQPXRJSA-N 2 2 291.355 -0.376 20 0 CBADLP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1)C(N)=O ZINC001022230563 790997471 /nfs/dbraw/zinc/99/74/71/790997471.db2.gz ZKDAPRXEMCNLTQ-FBDQPXRJSA-N 2 2 291.355 -0.376 20 0 CBADLP NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001022311516 791005284 /nfs/dbraw/zinc/00/52/84/791005284.db2.gz SJXCSLIDXXEQCL-GARJFASQSA-N 2 2 291.355 -0.832 20 0 CBADLP O=C(N[C@H]1C[C@@H]([NH2+]CCO)C1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001022303087 791003850 /nfs/dbraw/zinc/00/38/50/791003850.db2.gz ULJJUIOJXAADPR-UTUOFQBUSA-N 2 2 278.356 -0.325 20 0 CBADLP O=C(N[C@H]1C[C@@H]([NH2+]CCO)C1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001022311543 791004029 /nfs/dbraw/zinc/00/40/29/791004029.db2.gz UKCDAXFAHOTEKG-UTUOFQBUSA-N 2 2 278.356 -0.325 20 0 CBADLP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCO)C[C@H]1O ZINC001077236240 805705360 /nfs/dbraw/zinc/70/53/60/805705360.db2.gz HIDKSZMLKZKXON-JHJVBQTASA-N 2 2 285.388 -0.986 20 0 CBADLP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCO)C[C@H]1O ZINC001077236240 805705369 /nfs/dbraw/zinc/70/53/69/805705369.db2.gz HIDKSZMLKZKXON-JHJVBQTASA-N 2 2 285.388 -0.986 20 0 CBADLP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCCO)C[C@H]1O ZINC001077236240 805705376 /nfs/dbraw/zinc/70/53/76/805705376.db2.gz HIDKSZMLKZKXON-JHJVBQTASA-N 2 2 285.388 -0.986 20 0 CBADLP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001077236240 805705380 /nfs/dbraw/zinc/70/53/80/805705380.db2.gz HIDKSZMLKZKXON-JHJVBQTASA-N 2 2 285.388 -0.986 20 0 CBADLP Cn1cc(C[NH2+]CCNC(=O)Cc2c[nH+]cn2C)cn1 ZINC001147900331 814925659 /nfs/dbraw/zinc/92/56/59/814925659.db2.gz MRXQUOAFJULUQW-UHFFFAOYSA-N 2 2 276.344 -0.398 20 0 CBADLP COC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001078083307 805831324 /nfs/dbraw/zinc/83/13/24/805831324.db2.gz RBRABMQAYWXZAX-ZWKOPEQDSA-N 2 2 296.371 -0.543 20 0 CBADLP COC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001078083307 805831331 /nfs/dbraw/zinc/83/13/31/805831331.db2.gz RBRABMQAYWXZAX-ZWKOPEQDSA-N 2 2 296.371 -0.543 20 0 CBADLP CC[C@@H](F)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001078178870 805848824 /nfs/dbraw/zinc/84/88/24/805848824.db2.gz HNADOVCFZWTSKF-JHJVBQTASA-N 2 2 287.379 -0.008 20 0 CBADLP CC[C@@H](F)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001078178870 805848834 /nfs/dbraw/zinc/84/88/34/805848834.db2.gz HNADOVCFZWTSKF-JHJVBQTASA-N 2 2 287.379 -0.008 20 0 CBADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCO)C[C@H]1O ZINC001078229308 805859337 /nfs/dbraw/zinc/85/93/37/805859337.db2.gz CBVOIXIFFIXLLC-MGPQQGTHSA-N 2 2 299.415 -0.596 20 0 CBADLP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCO)C[C@H]1O ZINC001078229308 805859348 /nfs/dbraw/zinc/85/93/48/805859348.db2.gz CBVOIXIFFIXLLC-MGPQQGTHSA-N 2 2 299.415 -0.596 20 0 CBADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCCO)C[C@H]1O ZINC001078229308 805859356 /nfs/dbraw/zinc/85/93/56/805859356.db2.gz CBVOIXIFFIXLLC-MGPQQGTHSA-N 2 2 299.415 -0.596 20 0 CBADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001078229308 805859364 /nfs/dbraw/zinc/85/93/64/805859364.db2.gz CBVOIXIFFIXLLC-MGPQQGTHSA-N 2 2 299.415 -0.596 20 0 CBADLP C[C@@H](F)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001078270591 805864140 /nfs/dbraw/zinc/86/41/40/805864140.db2.gz GFQUOQHIUBXNKU-IJLUTSLNSA-N 2 2 284.335 -0.208 20 0 CBADLP C[C@@H](F)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001078270591 805864149 /nfs/dbraw/zinc/86/41/49/805864149.db2.gz GFQUOQHIUBXNKU-IJLUTSLNSA-N 2 2 284.335 -0.208 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[C@@H]([NH2+]CCO)C12CCC2 ZINC001078784405 805890476 /nfs/dbraw/zinc/89/04/76/805890476.db2.gz SKWMJFPFDMZICI-CHWSQXEVSA-N 2 2 292.383 -0.028 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1C[C@H]([NH2+]CCO)C12CCC2 ZINC001078734782 805889237 /nfs/dbraw/zinc/88/92/37/805889237.db2.gz VIKFSVXSPUDXTC-NWDGAFQWSA-N 2 2 278.356 -0.039 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@H]([NH2+]CCO)C12CCC2 ZINC001078825615 805892093 /nfs/dbraw/zinc/89/20/93/805892093.db2.gz FEDJZAXREVTQJB-RYUDHWBXSA-N 2 2 278.356 -0.108 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NCC[NH2+]CC(=O)NC(C)(C)C ZINC001147900918 814926458 /nfs/dbraw/zinc/92/64/58/814926458.db2.gz ZAIORZZDVIXFOQ-UHFFFAOYSA-N 2 2 295.387 -0.417 20 0 CBADLP C[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001079991174 805953125 /nfs/dbraw/zinc/95/31/25/805953125.db2.gz YFDMYZWUNJRGJB-JHJVBQTASA-N 2 2 292.383 -0.126 20 0 CBADLP C[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001079991174 805953132 /nfs/dbraw/zinc/95/31/32/805953132.db2.gz YFDMYZWUNJRGJB-JHJVBQTASA-N 2 2 292.383 -0.126 20 0 CBADLP CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001080441602 805983066 /nfs/dbraw/zinc/98/30/66/805983066.db2.gz RZUCPWAXXNFAKE-JHJVBQTASA-N 2 2 296.415 -0.347 20 0 CBADLP CNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001080441602 805983073 /nfs/dbraw/zinc/98/30/73/805983073.db2.gz RZUCPWAXXNFAKE-JHJVBQTASA-N 2 2 296.415 -0.347 20 0 CBADLP CNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001080441602 805983083 /nfs/dbraw/zinc/98/30/83/805983083.db2.gz RZUCPWAXXNFAKE-JHJVBQTASA-N 2 2 296.415 -0.347 20 0 CBADLP CNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001080441602 805983090 /nfs/dbraw/zinc/98/30/90/805983090.db2.gz RZUCPWAXXNFAKE-JHJVBQTASA-N 2 2 296.415 -0.347 20 0 CBADLP C[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001080942900 806016279 /nfs/dbraw/zinc/01/62/79/806016279.db2.gz GGUNAQOJIKBBPG-JHJVBQTASA-N 2 2 294.399 -0.593 20 0 CBADLP C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001080942900 806016288 /nfs/dbraw/zinc/01/62/88/806016288.db2.gz GGUNAQOJIKBBPG-JHJVBQTASA-N 2 2 294.399 -0.593 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@H]1C ZINC001080948051 806017463 /nfs/dbraw/zinc/01/74/63/806017463.db2.gz ZNRQENLFCKWREU-JFGNBEQYSA-N 2 2 293.371 -0.498 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@H]1C ZINC001080948051 806017470 /nfs/dbraw/zinc/01/74/70/806017470.db2.gz ZNRQENLFCKWREU-JFGNBEQYSA-N 2 2 293.371 -0.498 20 0 CBADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CC(N)=O)C[C@H]1C ZINC001080997614 806021573 /nfs/dbraw/zinc/02/15/73/806021573.db2.gz GYNCSZAHGBHIRL-JHJVBQTASA-N 2 2 296.415 -0.217 20 0 CBADLP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CC(N)=O)C[C@H]1C ZINC001080997614 806021579 /nfs/dbraw/zinc/02/15/79/806021579.db2.gz GYNCSZAHGBHIRL-JHJVBQTASA-N 2 2 296.415 -0.217 20 0 CBADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C ZINC001080997614 806021588 /nfs/dbraw/zinc/02/15/88/806021588.db2.gz GYNCSZAHGBHIRL-JHJVBQTASA-N 2 2 296.415 -0.217 20 0 CBADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C ZINC001080997614 806021598 /nfs/dbraw/zinc/02/15/98/806021598.db2.gz GYNCSZAHGBHIRL-JHJVBQTASA-N 2 2 296.415 -0.217 20 0 CBADLP CO[C@@H]1C[N@@H+](C(C)C)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001081481886 806088511 /nfs/dbraw/zinc/08/85/11/806088511.db2.gz ZAICNVFLUZLLJP-UPJWGTAASA-N 2 2 285.388 -0.459 20 0 CBADLP CO[C@@H]1C[N@H+](C(C)C)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001081481886 806088519 /nfs/dbraw/zinc/08/85/19/806088519.db2.gz ZAICNVFLUZLLJP-UPJWGTAASA-N 2 2 285.388 -0.459 20 0 CBADLP CO[C@@H]1C[NH+](C(C)C)C[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001081481886 806088529 /nfs/dbraw/zinc/08/85/29/806088529.db2.gz ZAICNVFLUZLLJP-UPJWGTAASA-N 2 2 285.388 -0.459 20 0 CBADLP CO[C@@H]1C[NH+](C(C)C)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001081481886 806088538 /nfs/dbraw/zinc/08/85/38/806088538.db2.gz ZAICNVFLUZLLJP-UPJWGTAASA-N 2 2 285.388 -0.459 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(N)=O)C1 ZINC001082796133 806195029 /nfs/dbraw/zinc/19/50/29/806195029.db2.gz UNRDYNWJQMZTSZ-CKYFFXLPSA-N 2 2 293.371 -0.490 20 0 CBADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(N)=O)C1 ZINC001082796133 806195034 /nfs/dbraw/zinc/19/50/34/806195034.db2.gz UNRDYNWJQMZTSZ-CKYFFXLPSA-N 2 2 293.371 -0.490 20 0 CBADLP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001082823909 806195212 /nfs/dbraw/zinc/19/52/12/806195212.db2.gz WTWTZMCLJGMSGU-OUAUKWLOSA-N 2 2 266.345 -0.231 20 0 CBADLP O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1O)c1cc2c[nH+]ccc2[nH]1 ZINC001083570793 806369149 /nfs/dbraw/zinc/36/91/49/806369149.db2.gz PFZPPOFABZYBGH-OLZOCXBDSA-N 2 2 290.323 -0.670 20 0 CBADLP O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)c1cc2c[nH+]ccc2[nH]1 ZINC001083570793 806369159 /nfs/dbraw/zinc/36/91/59/806369159.db2.gz PFZPPOFABZYBGH-OLZOCXBDSA-N 2 2 290.323 -0.670 20 0 CBADLP O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1O)c1ccn2c[nH+]cc2c1 ZINC001083607175 806381708 /nfs/dbraw/zinc/38/17/08/806381708.db2.gz KFSVDVUJYGDTMN-OLZOCXBDSA-N 2 2 290.323 -0.899 20 0 CBADLP O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)c1ccn2c[nH+]cc2c1 ZINC001083607175 806381718 /nfs/dbraw/zinc/38/17/18/806381718.db2.gz KFSVDVUJYGDTMN-OLZOCXBDSA-N 2 2 290.323 -0.899 20 0 CBADLP CC[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@@H](O)C1 ZINC001083647690 806393676 /nfs/dbraw/zinc/39/36/76/806393676.db2.gz NSPLNRXFILJKOE-OCCSQVGLSA-N 2 2 292.383 -0.057 20 0 CBADLP CC[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@@H](O)C1 ZINC001083647690 806393685 /nfs/dbraw/zinc/39/36/85/806393685.db2.gz NSPLNRXFILJKOE-OCCSQVGLSA-N 2 2 292.383 -0.057 20 0 CBADLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001083826410 806441205 /nfs/dbraw/zinc/44/12/05/806441205.db2.gz QPMGGMCIHQZMQU-NEPJUHHUSA-N 2 2 296.371 -0.840 20 0 CBADLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001083826410 806441206 /nfs/dbraw/zinc/44/12/06/806441206.db2.gz QPMGGMCIHQZMQU-NEPJUHHUSA-N 2 2 296.371 -0.840 20 0 CBADLP C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](O)C1 ZINC001083887875 806456032 /nfs/dbraw/zinc/45/60/32/806456032.db2.gz PBNYSHMDQUPPKX-MCIONIFRSA-N 2 2 299.415 -0.740 20 0 CBADLP C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](O)C1 ZINC001083887875 806456039 /nfs/dbraw/zinc/45/60/39/806456039.db2.gz PBNYSHMDQUPPKX-MCIONIFRSA-N 2 2 299.415 -0.740 20 0 CBADLP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CCF)C[C@@H]2O)C1 ZINC001083954142 806467598 /nfs/dbraw/zinc/46/75/98/806467598.db2.gz MWHVRSLIKQNIHP-TUAOUCFPSA-N 2 2 273.352 -0.541 20 0 CBADLP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CCF)C[C@@H]2O)C1 ZINC001083954142 806467604 /nfs/dbraw/zinc/46/76/04/806467604.db2.gz MWHVRSLIKQNIHP-TUAOUCFPSA-N 2 2 273.352 -0.541 20 0 CBADLP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@H+](CCF)C[C@@H]2O)C1 ZINC001083954142 806467610 /nfs/dbraw/zinc/46/76/10/806467610.db2.gz MWHVRSLIKQNIHP-TUAOUCFPSA-N 2 2 273.352 -0.541 20 0 CBADLP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@@H+](CCF)C[C@@H]2O)C1 ZINC001083954142 806467613 /nfs/dbraw/zinc/46/76/13/806467613.db2.gz MWHVRSLIKQNIHP-TUAOUCFPSA-N 2 2 273.352 -0.541 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1O ZINC001084115950 806490759 /nfs/dbraw/zinc/49/07/59/806490759.db2.gz WKMVDLPUZUPXSK-NEPJUHHUSA-N 2 2 264.329 -0.546 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@H+](CC2CC2)C[C@@H]1O ZINC001084115950 806490764 /nfs/dbraw/zinc/49/07/64/806490764.db2.gz WKMVDLPUZUPXSK-NEPJUHHUSA-N 2 2 264.329 -0.546 20 0 CBADLP CO[C@H](C)C[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001084116282 806491285 /nfs/dbraw/zinc/49/12/85/806491285.db2.gz IVYXSQNUQSBBAQ-UTUOFQBUSA-N 2 2 282.344 -0.921 20 0 CBADLP CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001084116282 806491289 /nfs/dbraw/zinc/49/12/89/806491289.db2.gz IVYXSQNUQSBBAQ-UTUOFQBUSA-N 2 2 282.344 -0.921 20 0 CBADLP COC[C@@H](C)[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001084115554 806492067 /nfs/dbraw/zinc/49/20/67/806492067.db2.gz YDSDYBFDJJOXBE-UTUOFQBUSA-N 2 2 282.344 -0.921 20 0 CBADLP COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001084115554 806492073 /nfs/dbraw/zinc/49/20/73/806492073.db2.gz YDSDYBFDJJOXBE-UTUOFQBUSA-N 2 2 282.344 -0.921 20 0 CBADLP CCCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001084115519 806492692 /nfs/dbraw/zinc/49/26/92/806492692.db2.gz VYBVYWJBSQFACR-NEPJUHHUSA-N 2 2 266.345 -0.156 20 0 CBADLP CCCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001084115519 806492695 /nfs/dbraw/zinc/49/26/95/806492695.db2.gz VYBVYWJBSQFACR-NEPJUHHUSA-N 2 2 266.345 -0.156 20 0 CBADLP CC[C@@H](C(=O)N1C[C@H]2CC[N@H+](CC(=O)NC)C[C@H]21)[NH+](C)C ZINC001084667434 806530375 /nfs/dbraw/zinc/53/03/75/806530375.db2.gz DHBUGLSIFJQNKQ-FRRDWIJNSA-N 2 2 296.415 -0.395 20 0 CBADLP CC[C@@H](C(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC)C[C@H]21)[NH+](C)C ZINC001084667434 806530377 /nfs/dbraw/zinc/53/03/77/806530377.db2.gz DHBUGLSIFJQNKQ-FRRDWIJNSA-N 2 2 296.415 -0.395 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]2CC[N@H+](CCO)C[C@H]21 ZINC001084775557 806535518 /nfs/dbraw/zinc/53/55/18/806535518.db2.gz LIJKTODLDJGXQB-DGCLKSJQSA-N 2 2 278.356 -0.512 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]2CC[N@@H+](CCO)C[C@H]21 ZINC001084775557 806535527 /nfs/dbraw/zinc/53/55/27/806535527.db2.gz LIJKTODLDJGXQB-DGCLKSJQSA-N 2 2 278.356 -0.512 20 0 CBADLP NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001084777938 806535884 /nfs/dbraw/zinc/53/58/84/806535884.db2.gz XTBQUJFSTPJDPA-VXGBXAGGSA-N 2 2 292.383 -0.900 20 0 CBADLP NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001084777938 806535892 /nfs/dbraw/zinc/53/58/92/806535892.db2.gz XTBQUJFSTPJDPA-VXGBXAGGSA-N 2 2 292.383 -0.900 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CCCC[C@H]1[NH2+]CCO ZINC001085439422 806556252 /nfs/dbraw/zinc/55/62/52/806556252.db2.gz WBEOTEYBWOQOJS-VXGBXAGGSA-N 2 2 266.345 -0.108 20 0 CBADLP CN(C[C@H]1CC[N@@H+]1CCCO)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001085531188 806573285 /nfs/dbraw/zinc/57/32/85/806573285.db2.gz NOQZCWZHDBNZCO-CHWSQXEVSA-N 2 2 285.388 -0.768 20 0 CBADLP CN(C[C@H]1CC[N@H+]1CCCO)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001085531188 806573290 /nfs/dbraw/zinc/57/32/90/806573290.db2.gz NOQZCWZHDBNZCO-CHWSQXEVSA-N 2 2 285.388 -0.768 20 0 CBADLP CN(C[C@H]1CC[NH+]1CCCO)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001085531188 806573298 /nfs/dbraw/zinc/57/32/98/806573298.db2.gz NOQZCWZHDBNZCO-CHWSQXEVSA-N 2 2 285.388 -0.768 20 0 CBADLP CN(C[C@H]1CC[NH+]1CCCO)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001085531188 806573306 /nfs/dbraw/zinc/57/33/06/806573306.db2.gz NOQZCWZHDBNZCO-CHWSQXEVSA-N 2 2 285.388 -0.768 20 0 CBADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N(C)C[C@H]2CC[NH+]2CCO)C1 ZINC001085782239 806609113 /nfs/dbraw/zinc/60/91/13/806609113.db2.gz PQZWJMWDLGLTDC-KGLIPLIRSA-N 2 2 299.415 -0.379 20 0 CBADLP CC(C)[N@H+]1CCO[C@H](C(=O)N(C)C[C@H]2CC[NH+]2CCO)C1 ZINC001085782239 806609118 /nfs/dbraw/zinc/60/91/18/806609118.db2.gz PQZWJMWDLGLTDC-KGLIPLIRSA-N 2 2 299.415 -0.379 20 0 CBADLP CC(C)[NH+]1CCO[C@H](C(=O)N(C)C[C@H]2CC[N@@H+]2CCO)C1 ZINC001085782239 806609120 /nfs/dbraw/zinc/60/91/20/806609120.db2.gz PQZWJMWDLGLTDC-KGLIPLIRSA-N 2 2 299.415 -0.379 20 0 CBADLP CC(C)[NH+]1CCO[C@H](C(=O)N(C)C[C@H]2CC[N@H+]2CCO)C1 ZINC001085782239 806609125 /nfs/dbraw/zinc/60/91/25/806609125.db2.gz PQZWJMWDLGLTDC-KGLIPLIRSA-N 2 2 299.415 -0.379 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001085968581 806627991 /nfs/dbraw/zinc/62/79/91/806627991.db2.gz LMCUSRZRDAWMSJ-NWDGAFQWSA-N 2 2 282.388 -0.783 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001085968581 806627994 /nfs/dbraw/zinc/62/79/94/806627994.db2.gz LMCUSRZRDAWMSJ-NWDGAFQWSA-N 2 2 282.388 -0.783 20 0 CBADLP CNC(=O)C[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001085968581 806627997 /nfs/dbraw/zinc/62/79/97/806627997.db2.gz LMCUSRZRDAWMSJ-NWDGAFQWSA-N 2 2 282.388 -0.783 20 0 CBADLP CNC(=O)C[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001085968581 806628000 /nfs/dbraw/zinc/62/80/00/806628000.db2.gz LMCUSRZRDAWMSJ-NWDGAFQWSA-N 2 2 282.388 -0.783 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001022775190 798840706 /nfs/dbraw/zinc/84/07/06/798840706.db2.gz LGODPXKSWGUIEL-PHIMTYICSA-N 2 2 291.355 -0.579 20 0 CBADLP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1)C(N)=O ZINC001022775574 798841079 /nfs/dbraw/zinc/84/10/79/798841079.db2.gz YCEPLJMEPNQATR-XHNCKOQMSA-N 2 2 265.317 -0.937 20 0 CBADLP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)C1)C(N)=O ZINC001022976690 798871801 /nfs/dbraw/zinc/87/18/01/798871801.db2.gz DOMBRKLEIGXKRG-BBBLOLIVSA-N 2 2 279.344 -0.927 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001023024651 798874816 /nfs/dbraw/zinc/87/48/16/798874816.db2.gz DHVYIPTYCNQKOJ-BBBLOLIVSA-N 2 2 279.344 -0.629 20 0 CBADLP Cn1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)C[NH+]3CCCC3)C2)n1 ZINC001023088957 798881837 /nfs/dbraw/zinc/88/18/37/798881837.db2.gz RAUIKDSZBRUAPI-PHIMTYICSA-N 2 2 293.375 -0.957 20 0 CBADLP Cn1ncc(C[NH2+][C@H]2C[C@@H](NC(=O)Cn3cc[nH+]c3)C2)n1 ZINC001023159213 798887425 /nfs/dbraw/zinc/88/74/25/798887425.db2.gz UHBXOQHIHSZFHK-PHIMTYICSA-N 2 2 289.343 -0.551 20 0 CBADLP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC(N)=O ZINC001024514158 798940173 /nfs/dbraw/zinc/94/01/73/798940173.db2.gz WKUFFTQMWVFJQL-QWHCGFSZSA-N 2 2 296.415 -0.073 20 0 CBADLP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC(N)=O ZINC001024514158 798940176 /nfs/dbraw/zinc/94/01/76/798940176.db2.gz WKUFFTQMWVFJQL-QWHCGFSZSA-N 2 2 296.415 -0.073 20 0 CBADLP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CC(N)=O ZINC001024514158 798940181 /nfs/dbraw/zinc/94/01/81/798940181.db2.gz WKUFFTQMWVFJQL-QWHCGFSZSA-N 2 2 296.415 -0.073 20 0 CBADLP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CC(N)=O ZINC001024514158 798940183 /nfs/dbraw/zinc/94/01/83/798940183.db2.gz WKUFFTQMWVFJQL-QWHCGFSZSA-N 2 2 296.415 -0.073 20 0 CBADLP NC(=O)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]12 ZINC001026388306 799002813 /nfs/dbraw/zinc/00/28/13/799002813.db2.gz LZSSGIINFVFHHM-OUAUKWLOSA-N 2 2 291.355 -0.736 20 0 CBADLP NC(=O)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]12 ZINC001026432323 799004769 /nfs/dbraw/zinc/00/47/69/799004769.db2.gz RIDAYDLXFFSDLJ-GRYCIOLGSA-N 2 2 291.355 -0.805 20 0 CBADLP C[C@H]([NH2+]C1CCC(NC(=O)Cn2cc[nH+]c2)CC1)C(N)=O ZINC001026613376 799010920 /nfs/dbraw/zinc/01/09/20/799010920.db2.gz HCTMTZZSJKTIOC-UNXYVOJBSA-N 2 2 293.371 -0.226 20 0 CBADLP C[C@@H]([NH2+]C1CCC(NC(=O)Cn2cc[nH+]c2)CC1)C(N)=O ZINC001026613377 799011416 /nfs/dbraw/zinc/01/14/16/799011416.db2.gz HCTMTZZSJKTIOC-VOMCLLRMSA-N 2 2 293.371 -0.226 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N1CCC[C@H]([N@H+](C)CC(N)=O)C1 ZINC001027493180 799052314 /nfs/dbraw/zinc/05/23/14/799052314.db2.gz AHRPPBXURVXYAK-LBPRGKRZSA-N 2 2 293.371 -0.400 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N1CCC[C@H]([N@@H+](C)CC(N)=O)C1 ZINC001027493180 799052316 /nfs/dbraw/zinc/05/23/16/799052316.db2.gz AHRPPBXURVXYAK-LBPRGKRZSA-N 2 2 293.371 -0.400 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CC(N)=O ZINC001027795025 799077516 /nfs/dbraw/zinc/07/75/16/799077516.db2.gz MYXFSWIFIGYBOL-GHMZBOCLSA-N 2 2 268.361 -0.854 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CC(N)=O ZINC001027795025 799077524 /nfs/dbraw/zinc/07/75/24/799077524.db2.gz MYXFSWIFIGYBOL-GHMZBOCLSA-N 2 2 268.361 -0.854 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC(N)=O ZINC001027795025 799077531 /nfs/dbraw/zinc/07/75/31/799077531.db2.gz MYXFSWIFIGYBOL-GHMZBOCLSA-N 2 2 268.361 -0.854 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CC(N)=O ZINC001027795025 799077537 /nfs/dbraw/zinc/07/75/37/799077537.db2.gz MYXFSWIFIGYBOL-GHMZBOCLSA-N 2 2 268.361 -0.854 20 0 CBADLP CN(C)C(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001027795248 799077588 /nfs/dbraw/zinc/07/75/88/799077588.db2.gz RPOGLBFLSQARHO-QWHCGFSZSA-N 2 2 296.415 -0.251 20 0 CBADLP CN(C)C(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001027795248 799077596 /nfs/dbraw/zinc/07/75/96/799077596.db2.gz RPOGLBFLSQARHO-QWHCGFSZSA-N 2 2 296.415 -0.251 20 0 CBADLP CN(C)C(=O)C[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001027795248 799077604 /nfs/dbraw/zinc/07/76/04/799077604.db2.gz RPOGLBFLSQARHO-QWHCGFSZSA-N 2 2 296.415 -0.251 20 0 CBADLP CN(C)C(=O)C[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001027795248 799077608 /nfs/dbraw/zinc/07/76/08/799077608.db2.gz RPOGLBFLSQARHO-QWHCGFSZSA-N 2 2 296.415 -0.251 20 0 CBADLP CNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001027792802 799077916 /nfs/dbraw/zinc/07/79/16/799077916.db2.gz WPWOYGLZUZGJDM-NEPJUHHUSA-N 2 2 282.388 -0.593 20 0 CBADLP CNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001027792802 799077924 /nfs/dbraw/zinc/07/79/24/799077924.db2.gz WPWOYGLZUZGJDM-NEPJUHHUSA-N 2 2 282.388 -0.593 20 0 CBADLP CNC(=O)C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001027792802 799077930 /nfs/dbraw/zinc/07/79/30/799077930.db2.gz WPWOYGLZUZGJDM-NEPJUHHUSA-N 2 2 282.388 -0.593 20 0 CBADLP CNC(=O)C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001027792802 799077937 /nfs/dbraw/zinc/07/79/37/799077937.db2.gz WPWOYGLZUZGJDM-NEPJUHHUSA-N 2 2 282.388 -0.593 20 0 CBADLP C[NH+](C)Cc1cc(C(=O)NC[C@@H]2CCC[N@@H+]2CCO)no1 ZINC001027983958 799099823 /nfs/dbraw/zinc/09/98/23/799099823.db2.gz HBPGHRHNDHZEDE-NSHDSACASA-N 2 2 296.371 -0.077 20 0 CBADLP C[NH+](C)Cc1cc(C(=O)NC[C@@H]2CCC[N@H+]2CCO)no1 ZINC001027983958 799099831 /nfs/dbraw/zinc/09/98/31/799099831.db2.gz HBPGHRHNDHZEDE-NSHDSACASA-N 2 2 296.371 -0.077 20 0 CBADLP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3CC(N)=O)C1 ZINC001029552977 799202748 /nfs/dbraw/zinc/20/27/48/799202748.db2.gz HISAYWQQZYVLCY-RWMBFGLXSA-N 2 2 294.399 -0.511 20 0 CBADLP C[N@H+]1CC[C@@H](CC(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3CC(N)=O)C1 ZINC001029552977 799202750 /nfs/dbraw/zinc/20/27/50/799202750.db2.gz HISAYWQQZYVLCY-RWMBFGLXSA-N 2 2 294.399 -0.511 20 0 CBADLP C[NH+]1CC[C@@H](CC(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC(N)=O)C1 ZINC001029552977 799202754 /nfs/dbraw/zinc/20/27/54/799202754.db2.gz HISAYWQQZYVLCY-RWMBFGLXSA-N 2 2 294.399 -0.511 20 0 CBADLP C[NH+]1CC[C@@H](CC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(N)=O)C1 ZINC001029552977 799202760 /nfs/dbraw/zinc/20/27/60/799202760.db2.gz HISAYWQQZYVLCY-RWMBFGLXSA-N 2 2 294.399 -0.511 20 0 CBADLP C[C@@H](O)C[NH+]1CC(NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001030330189 799297685 /nfs/dbraw/zinc/29/76/85/799297685.db2.gz RWEWMIQLIYLZPA-LLVKDONJSA-N 2 2 295.387 -0.761 20 0 CBADLP COCC[NH+]1CC(NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001030705311 799364222 /nfs/dbraw/zinc/36/42/22/799364222.db2.gz USVCXMMIMLLKBA-QRJNDHJOSA-N 2 2 295.383 -0.704 20 0 CBADLP COCC[NH+]1CC(NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001030705311 799364230 /nfs/dbraw/zinc/36/42/30/799364230.db2.gz USVCXMMIMLLKBA-QRJNDHJOSA-N 2 2 295.383 -0.704 20 0 CBADLP O=C(NC1C[NH+](CCCO)C1)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001030705191 799365518 /nfs/dbraw/zinc/36/55/18/799365518.db2.gz PQVUFNFNSUNUBP-GLWUULTISA-N 2 2 295.383 -0.968 20 0 CBADLP O=C(NC1C[NH+](CCCO)C1)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001030705191 799365519 /nfs/dbraw/zinc/36/55/19/799365519.db2.gz PQVUFNFNSUNUBP-GLWUULTISA-N 2 2 295.383 -0.968 20 0 CBADLP CCC[N@@H+]1CCC[C@@H](C(=O)NC2C[NH+](CCO)C2)C1 ZINC001030824893 799388992 /nfs/dbraw/zinc/38/89/92/799388992.db2.gz GPNREYZIBHVXQE-GFCCVEGCSA-N 2 2 269.389 -0.099 20 0 CBADLP CCC[N@H+]1CCC[C@@H](C(=O)NC2C[NH+](CCO)C2)C1 ZINC001030824893 799389001 /nfs/dbraw/zinc/38/90/01/799389001.db2.gz GPNREYZIBHVXQE-GFCCVEGCSA-N 2 2 269.389 -0.099 20 0 CBADLP C[C@@H](O)C[NH+]1CC(NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001030956169 799415895 /nfs/dbraw/zinc/41/58/95/799415895.db2.gz UNDDTVKZALAPNJ-WDEREUQCSA-N 2 2 255.362 -0.348 20 0 CBADLP C[C@@H](O)C[NH+]1CC(NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001030956169 799415900 /nfs/dbraw/zinc/41/59/00/799415900.db2.gz UNDDTVKZALAPNJ-WDEREUQCSA-N 2 2 255.362 -0.348 20 0 CBADLP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NC1C[NH+](CCn2cccn2)C1 ZINC001030964959 799419386 /nfs/dbraw/zinc/41/93/86/799419386.db2.gz XTLHPBPAPUWXGV-JSGCOSHPSA-N 2 2 291.399 -0.119 20 0 CBADLP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1C[NH+](CCn2cccn2)C1 ZINC001030964959 799419389 /nfs/dbraw/zinc/41/93/89/799419389.db2.gz XTLHPBPAPUWXGV-JSGCOSHPSA-N 2 2 291.399 -0.119 20 0 CBADLP C[C@H](O)C[NH+]1CC(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001031257963 799465474 /nfs/dbraw/zinc/46/54/74/799465474.db2.gz BYTGOAOTLCHSLP-WDEREUQCSA-N 2 2 255.362 -0.491 20 0 CBADLP C[C@H](O)C[NH+]1CC(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001031257963 799465475 /nfs/dbraw/zinc/46/54/75/799465475.db2.gz BYTGOAOTLCHSLP-WDEREUQCSA-N 2 2 255.362 -0.491 20 0 CBADLP O=C(NC1C[NH+](CCCO)C1)C12CC[NH+](CC1)C2 ZINC001031263197 799466347 /nfs/dbraw/zinc/46/63/47/799466347.db2.gz HVBPFBQIJQGNTB-UHFFFAOYSA-N 2 2 253.346 -0.735 20 0 CBADLP COC[C@H](C)[NH+]1CC(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001031263626 799466561 /nfs/dbraw/zinc/46/65/61/799466561.db2.gz SQDIGDCLMNJZBB-NSHDSACASA-N 2 2 267.373 -0.083 20 0 CBADLP CO[C@H](C)C[NH+]1CC(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001031386075 799482594 /nfs/dbraw/zinc/48/25/94/799482594.db2.gz WXJUBNQRPGWLMY-GHMZBOCLSA-N 2 2 255.362 -0.227 20 0 CBADLP CO[C@H](C)C[NH+]1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001031386075 799482596 /nfs/dbraw/zinc/48/25/96/799482596.db2.gz WXJUBNQRPGWLMY-GHMZBOCLSA-N 2 2 255.362 -0.227 20 0 CBADLP CO[C@@H](C)C[NH+]1CC(NC(=O)C[NH+]2CCCC2)C1 ZINC001031389538 799483598 /nfs/dbraw/zinc/48/35/98/799483598.db2.gz RATCDRCPNGZIIU-NSHDSACASA-N 2 2 255.362 -0.083 20 0 CBADLP CNC(=O)C[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001031666697 799530191 /nfs/dbraw/zinc/53/01/91/799530191.db2.gz RGCSLLVQQIFTMX-CYBMUJFWSA-N 2 2 296.415 -0.347 20 0 CBADLP CNC(=O)C[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001031666697 799530195 /nfs/dbraw/zinc/53/01/95/799530195.db2.gz RGCSLLVQQIFTMX-CYBMUJFWSA-N 2 2 296.415 -0.347 20 0 CBADLP NC(=O)C[NH+]1CC(CNC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC001031668852 799530651 /nfs/dbraw/zinc/53/06/51/799530651.db2.gz QTEOPVCVQKDUQJ-OLZOCXBDSA-N 2 2 294.399 -0.606 20 0 CBADLP NC(=O)C[NH+]1CC(CNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001031668852 799530656 /nfs/dbraw/zinc/53/06/56/799530656.db2.gz QTEOPVCVQKDUQJ-OLZOCXBDSA-N 2 2 294.399 -0.606 20 0 CBADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001031715116 799536269 /nfs/dbraw/zinc/53/62/69/799536269.db2.gz QFHNQDIAISYNDU-GFCCVEGCSA-N 2 2 282.388 -0.606 20 0 CBADLP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001031715116 799536270 /nfs/dbraw/zinc/53/62/70/799536270.db2.gz QFHNQDIAISYNDU-GFCCVEGCSA-N 2 2 282.388 -0.606 20 0 CBADLP CC[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001031772468 799542416 /nfs/dbraw/zinc/54/24/16/799542416.db2.gz VQDCUAWCADQLAM-QWHCGFSZSA-N 2 2 296.415 -0.217 20 0 CBADLP CC[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001031772468 799542421 /nfs/dbraw/zinc/54/24/21/799542421.db2.gz VQDCUAWCADQLAM-QWHCGFSZSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1C[NH+](CC(=O)N(C)C)C1 ZINC001031976259 799568169 /nfs/dbraw/zinc/56/81/69/799568169.db2.gz HYPNWEDTOZPOOE-DGCLKSJQSA-N 2 2 296.415 -0.680 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1C[NH+](CC(=O)N(C)C)C1 ZINC001031976259 799568173 /nfs/dbraw/zinc/56/81/73/799568173.db2.gz HYPNWEDTOZPOOE-DGCLKSJQSA-N 2 2 296.415 -0.680 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1C[NH+](CC(=O)N(C)C)C1 ZINC001031976261 799568427 /nfs/dbraw/zinc/56/84/27/799568427.db2.gz HYPNWEDTOZPOOE-YPMHNXCESA-N 2 2 296.415 -0.680 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1C[NH+](CC(=O)N(C)C)C1 ZINC001031976261 799568430 /nfs/dbraw/zinc/56/84/30/799568430.db2.gz HYPNWEDTOZPOOE-YPMHNXCESA-N 2 2 296.415 -0.680 20 0 CBADLP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+]([C@H](C)C(N)=O)C1 ZINC001032205686 799593457 /nfs/dbraw/zinc/59/34/57/799593457.db2.gz FMBZDYLZDKFIEU-YPMHNXCESA-N 2 2 296.415 -0.217 20 0 CBADLP CC[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+]([C@H](C)C(N)=O)C1 ZINC001032205686 799593464 /nfs/dbraw/zinc/59/34/64/799593464.db2.gz FMBZDYLZDKFIEU-YPMHNXCESA-N 2 2 296.415 -0.217 20 0 CBADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+]([C@H](C)C(N)=O)C1 ZINC001032205684 799593687 /nfs/dbraw/zinc/59/36/87/799593687.db2.gz FMBZDYLZDKFIEU-DGCLKSJQSA-N 2 2 296.415 -0.217 20 0 CBADLP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+]([C@H](C)C(N)=O)C1 ZINC001032205684 799593689 /nfs/dbraw/zinc/59/36/89/799593689.db2.gz FMBZDYLZDKFIEU-DGCLKSJQSA-N 2 2 296.415 -0.217 20 0 CBADLP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001032205683 799594022 /nfs/dbraw/zinc/59/40/22/799594022.db2.gz FMBZDYLZDKFIEU-AAEUAGOBSA-N 2 2 296.415 -0.217 20 0 CBADLP CC[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001032205683 799594023 /nfs/dbraw/zinc/59/40/23/799594023.db2.gz FMBZDYLZDKFIEU-AAEUAGOBSA-N 2 2 296.415 -0.217 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCO ZINC001032521674 799637598 /nfs/dbraw/zinc/63/75/98/799637598.db2.gz IHXSTHPORUXCHD-RYUDHWBXSA-N 2 2 264.329 -0.531 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCO ZINC001032521674 799637599 /nfs/dbraw/zinc/63/75/99/799637599.db2.gz IHXSTHPORUXCHD-RYUDHWBXSA-N 2 2 264.329 -0.531 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCO ZINC001032784877 799668083 /nfs/dbraw/zinc/66/80/83/799668083.db2.gz NDXZNLTWBOLVMB-RDBSUJKOSA-N 2 2 297.399 -0.768 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCO ZINC001032784877 799668094 /nfs/dbraw/zinc/66/80/94/799668094.db2.gz NDXZNLTWBOLVMB-RDBSUJKOSA-N 2 2 297.399 -0.768 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCCO)C1 ZINC001032792820 799669466 /nfs/dbraw/zinc/66/94/66/799669466.db2.gz NPSMMECJUYGALX-IHRRRGAJSA-N 2 2 297.399 -0.625 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCCO)C1 ZINC001032792820 799669471 /nfs/dbraw/zinc/66/94/71/799669471.db2.gz NPSMMECJUYGALX-IHRRRGAJSA-N 2 2 297.399 -0.625 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCCO)C1 ZINC001032792820 799669478 /nfs/dbraw/zinc/66/94/78/799669478.db2.gz NPSMMECJUYGALX-IHRRRGAJSA-N 2 2 297.399 -0.625 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCCO)C1 ZINC001032792820 799669481 /nfs/dbraw/zinc/66/94/81/799669481.db2.gz NPSMMECJUYGALX-IHRRRGAJSA-N 2 2 297.399 -0.625 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H]1CCNC1=O ZINC001032815356 799671929 /nfs/dbraw/zinc/67/19/29/799671929.db2.gz UGCKKPUMYDBJHS-SRVKXCTJSA-N 2 2 289.339 -0.943 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CCNC1=O ZINC001032815356 799671931 /nfs/dbraw/zinc/67/19/31/799671931.db2.gz UGCKKPUMYDBJHS-SRVKXCTJSA-N 2 2 289.339 -0.943 20 0 CBADLP C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001032838402 799678118 /nfs/dbraw/zinc/67/81/18/799678118.db2.gz SLGWEEJMCCMPMQ-JHJVBQTASA-N 2 2 296.415 -0.252 20 0 CBADLP C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001032838402 799678119 /nfs/dbraw/zinc/67/81/19/799678119.db2.gz SLGWEEJMCCMPMQ-JHJVBQTASA-N 2 2 296.415 -0.252 20 0 CBADLP C[C@H](C(=O)N(C)C)[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001032838402 799678122 /nfs/dbraw/zinc/67/81/22/799678122.db2.gz SLGWEEJMCCMPMQ-JHJVBQTASA-N 2 2 296.415 -0.252 20 0 CBADLP C[C@H](C(=O)N(C)C)[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001032838402 799678124 /nfs/dbraw/zinc/67/81/24/799678124.db2.gz SLGWEEJMCCMPMQ-JHJVBQTASA-N 2 2 296.415 -0.252 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001032944480 799695041 /nfs/dbraw/zinc/69/50/41/799695041.db2.gz LERUUVCUMZFVQT-NEPJUHHUSA-N 2 2 282.388 -0.641 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001032944480 799695044 /nfs/dbraw/zinc/69/50/44/799695044.db2.gz LERUUVCUMZFVQT-NEPJUHHUSA-N 2 2 282.388 -0.641 20 0 CBADLP CNC(=O)C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001032944480 799695049 /nfs/dbraw/zinc/69/50/49/799695049.db2.gz LERUUVCUMZFVQT-NEPJUHHUSA-N 2 2 282.388 -0.641 20 0 CBADLP CNC(=O)C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001032944480 799695054 /nfs/dbraw/zinc/69/50/54/799695054.db2.gz LERUUVCUMZFVQT-NEPJUHHUSA-N 2 2 282.388 -0.641 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001033197193 799723028 /nfs/dbraw/zinc/72/30/28/799723028.db2.gz HHEYJYLKMXGYKA-STQMWFEESA-N 2 2 296.415 -0.251 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001033197193 799723033 /nfs/dbraw/zinc/72/30/33/799723033.db2.gz HHEYJYLKMXGYKA-STQMWFEESA-N 2 2 296.415 -0.251 20 0 CBADLP CNC(=O)C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001033197193 799723035 /nfs/dbraw/zinc/72/30/35/799723035.db2.gz HHEYJYLKMXGYKA-STQMWFEESA-N 2 2 296.415 -0.251 20 0 CBADLP CNC(=O)C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001033197193 799723041 /nfs/dbraw/zinc/72/30/41/799723041.db2.gz HHEYJYLKMXGYKA-STQMWFEESA-N 2 2 296.415 -0.251 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001033197191 799724454 /nfs/dbraw/zinc/72/44/54/799724454.db2.gz HHEYJYLKMXGYKA-QWHCGFSZSA-N 2 2 296.415 -0.251 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001033197191 799724456 /nfs/dbraw/zinc/72/44/56/799724456.db2.gz HHEYJYLKMXGYKA-QWHCGFSZSA-N 2 2 296.415 -0.251 20 0 CBADLP CNC(=O)C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001033197191 799724459 /nfs/dbraw/zinc/72/44/59/799724459.db2.gz HHEYJYLKMXGYKA-QWHCGFSZSA-N 2 2 296.415 -0.251 20 0 CBADLP CNC(=O)C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001033197191 799724462 /nfs/dbraw/zinc/72/44/62/799724462.db2.gz HHEYJYLKMXGYKA-QWHCGFSZSA-N 2 2 296.415 -0.251 20 0 CBADLP C[C@@H]1CC[N@H+](CC(=O)N(C)[C@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001033419686 799751640 /nfs/dbraw/zinc/75/16/40/799751640.db2.gz KTWMBGXEHCTBBQ-NEPJUHHUSA-N 2 2 282.388 -0.654 20 0 CBADLP C[C@@H]1CC[N@@H+](CC(=O)N(C)[C@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001033419686 799751643 /nfs/dbraw/zinc/75/16/43/799751643.db2.gz KTWMBGXEHCTBBQ-NEPJUHHUSA-N 2 2 282.388 -0.654 20 0 CBADLP C[C@@H]1CC[NH+](CC(=O)N(C)[C@H]2CC[N@H+](CC(N)=O)C2)C1 ZINC001033419686 799751646 /nfs/dbraw/zinc/75/16/46/799751646.db2.gz KTWMBGXEHCTBBQ-NEPJUHHUSA-N 2 2 282.388 -0.654 20 0 CBADLP C[C@@H]1CC[NH+](CC(=O)N(C)[C@H]2CC[N@@H+](CC(N)=O)C2)C1 ZINC001033419686 799751650 /nfs/dbraw/zinc/75/16/50/799751650.db2.gz KTWMBGXEHCTBBQ-NEPJUHHUSA-N 2 2 282.388 -0.654 20 0 CBADLP C[C@@H](O)C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001033453596 799755951 /nfs/dbraw/zinc/75/59/51/799755951.db2.gz XKEUUNWMRRKMSE-ZYHUDNBSSA-N 2 2 266.345 -0.134 20 0 CBADLP C[C@@H](O)C[N@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001033453596 799755955 /nfs/dbraw/zinc/75/59/55/799755955.db2.gz XKEUUNWMRRKMSE-ZYHUDNBSSA-N 2 2 266.345 -0.134 20 0 CBADLP CN(C(=O)Cc1c[nH+]cn1C)[C@@H]1CC[N@H+](CCCO)C1 ZINC001033594611 799768694 /nfs/dbraw/zinc/76/86/94/799768694.db2.gz OJYCGRGVLYMPDM-GFCCVEGCSA-N 2 2 280.372 -0.122 20 0 CBADLP CN(C(=O)Cc1c[nH+]cn1C)[C@@H]1CC[N@@H+](CCCO)C1 ZINC001033594611 799768697 /nfs/dbraw/zinc/76/86/97/799768697.db2.gz OJYCGRGVLYMPDM-GFCCVEGCSA-N 2 2 280.372 -0.122 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033657276 799775951 /nfs/dbraw/zinc/77/59/51/799775951.db2.gz IQFLKGGMDNYHBJ-STQMWFEESA-N 2 2 296.415 -0.251 20 0 CBADLP CNC(=O)[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033657276 799775953 /nfs/dbraw/zinc/77/59/53/799775953.db2.gz IQFLKGGMDNYHBJ-STQMWFEESA-N 2 2 296.415 -0.251 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001033703783 799781909 /nfs/dbraw/zinc/78/19/09/799781909.db2.gz HQVUGJYDOWQBNJ-NWDGAFQWSA-N 2 2 293.371 -0.320 20 0 CBADLP CC[C@H](C(N)=O)[N@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001033703783 799781911 /nfs/dbraw/zinc/78/19/11/799781911.db2.gz HQVUGJYDOWQBNJ-NWDGAFQWSA-N 2 2 293.371 -0.320 20 0 CBADLP CN(C(=O)Cn1cc[nH+]c1)[C@H]1CC[N@H+](CCCO)C1 ZINC001033704360 799783076 /nfs/dbraw/zinc/78/30/76/799783076.db2.gz UBRCZJTXUVDZRA-LBPRGKRZSA-N 2 2 266.345 -0.202 20 0 CBADLP CN(C(=O)Cn1cc[nH+]c1)[C@H]1CC[N@@H+](CCCO)C1 ZINC001033704360 799783079 /nfs/dbraw/zinc/78/30/79/799783079.db2.gz UBRCZJTXUVDZRA-LBPRGKRZSA-N 2 2 266.345 -0.202 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001033703785 799783349 /nfs/dbraw/zinc/78/33/49/799783349.db2.gz HQVUGJYDOWQBNJ-VXGBXAGGSA-N 2 2 293.371 -0.320 20 0 CBADLP CC[C@H](C(N)=O)[N@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001033703785 799783351 /nfs/dbraw/zinc/78/33/51/799783351.db2.gz HQVUGJYDOWQBNJ-VXGBXAGGSA-N 2 2 293.371 -0.320 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001033704625 799783661 /nfs/dbraw/zinc/78/36/61/799783661.db2.gz YPQUUTQVVPBMAQ-NEPJUHHUSA-N 2 2 293.371 -0.450 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001033704625 799783665 /nfs/dbraw/zinc/78/36/65/799783665.db2.gz YPQUUTQVVPBMAQ-NEPJUHHUSA-N 2 2 293.371 -0.450 20 0 CBADLP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](CC(=O)NC)C1 ZINC001033775793 799788939 /nfs/dbraw/zinc/78/89/39/799788939.db2.gz MYUWSPDMWYYXOD-OLZOCXBDSA-N 2 2 296.415 -0.251 20 0 CBADLP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001033775793 799788942 /nfs/dbraw/zinc/78/89/42/799788942.db2.gz MYUWSPDMWYYXOD-OLZOCXBDSA-N 2 2 296.415 -0.251 20 0 CBADLP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](CC(=O)NC)C1 ZINC001033775793 799788946 /nfs/dbraw/zinc/78/89/46/799788946.db2.gz MYUWSPDMWYYXOD-OLZOCXBDSA-N 2 2 296.415 -0.251 20 0 CBADLP CCN(C(=O)[C@@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](CC(=O)NC)C1 ZINC001033775793 799788948 /nfs/dbraw/zinc/78/89/48/799788948.db2.gz MYUWSPDMWYYXOD-OLZOCXBDSA-N 2 2 296.415 -0.251 20 0 CBADLP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001034017908 799805838 /nfs/dbraw/zinc/80/58/38/799805838.db2.gz VBLDVMWTGRUTTF-GFCCVEGCSA-N 2 2 294.399 -0.510 20 0 CBADLP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001034017908 799805847 /nfs/dbraw/zinc/80/58/47/799805847.db2.gz VBLDVMWTGRUTTF-GFCCVEGCSA-N 2 2 294.399 -0.510 20 0 CBADLP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CCCC[NH+](CC(N)=O)C2)C1 ZINC001034394105 799836126 /nfs/dbraw/zinc/83/61/26/799836126.db2.gz JIJVZSAWIIJBIT-QWHCGFSZSA-N 2 2 296.415 -0.216 20 0 CBADLP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCC[NH+](CC(N)=O)C2)C1 ZINC001034394105 799836133 /nfs/dbraw/zinc/83/61/33/799836133.db2.gz JIJVZSAWIIJBIT-QWHCGFSZSA-N 2 2 296.415 -0.216 20 0 CBADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2CCCC[N@H+](CC(N)=O)C2)C1 ZINC001034394105 799836140 /nfs/dbraw/zinc/83/61/40/799836140.db2.gz JIJVZSAWIIJBIT-QWHCGFSZSA-N 2 2 296.415 -0.216 20 0 CBADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2CCCC[N@@H+](CC(N)=O)C2)C1 ZINC001034394105 799836144 /nfs/dbraw/zinc/83/61/44/799836144.db2.gz JIJVZSAWIIJBIT-QWHCGFSZSA-N 2 2 296.415 -0.216 20 0 CBADLP CNC(=O)C[N@@H+]1CCCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001034527031 799844294 /nfs/dbraw/zinc/84/42/94/799844294.db2.gz CDVOZZBTELJRDK-ZDUSSCGKSA-N 2 2 296.415 -0.201 20 0 CBADLP CNC(=O)C[N@H+]1CCCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001034527031 799844301 /nfs/dbraw/zinc/84/43/01/799844301.db2.gz CDVOZZBTELJRDK-ZDUSSCGKSA-N 2 2 296.415 -0.201 20 0 CBADLP NC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001034801569 799857111 /nfs/dbraw/zinc/85/71/11/799857111.db2.gz LXCBZKMMVCFLHP-XYPYZODXSA-N 2 2 279.344 -0.615 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CCC[C@@H]1C[NH2+][C@H]1CCNC1=O ZINC001035141658 799869581 /nfs/dbraw/zinc/86/95/81/799869581.db2.gz FQPBGNKUGPYZPL-NEPJUHHUSA-N 2 2 291.355 -0.648 20 0 CBADLP COCC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001035312129 799886100 /nfs/dbraw/zinc/88/61/00/799886100.db2.gz GNBMSXJZKLFOMP-QWHCGFSZSA-N 2 2 285.388 -0.456 20 0 CBADLP COCC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001035312129 799886107 /nfs/dbraw/zinc/88/61/07/799886107.db2.gz GNBMSXJZKLFOMP-QWHCGFSZSA-N 2 2 285.388 -0.456 20 0 CBADLP COCC[NH+]1CCO[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001035312129 799886113 /nfs/dbraw/zinc/88/61/13/799886113.db2.gz GNBMSXJZKLFOMP-QWHCGFSZSA-N 2 2 285.388 -0.456 20 0 CBADLP COCC[NH+]1CCO[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001035312129 799886120 /nfs/dbraw/zinc/88/61/20/799886120.db2.gz GNBMSXJZKLFOMP-QWHCGFSZSA-N 2 2 285.388 -0.456 20 0 CBADLP COCC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001035312127 799887020 /nfs/dbraw/zinc/88/70/20/799887020.db2.gz GNBMSXJZKLFOMP-CHWSQXEVSA-N 2 2 285.388 -0.456 20 0 CBADLP COCC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001035312127 799887027 /nfs/dbraw/zinc/88/70/27/799887027.db2.gz GNBMSXJZKLFOMP-CHWSQXEVSA-N 2 2 285.388 -0.456 20 0 CBADLP COCC[NH+]1CCO[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001035312127 799887035 /nfs/dbraw/zinc/88/70/35/799887035.db2.gz GNBMSXJZKLFOMP-CHWSQXEVSA-N 2 2 285.388 -0.456 20 0 CBADLP COCC[NH+]1CCO[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001035312127 799887042 /nfs/dbraw/zinc/88/70/42/799887042.db2.gz GNBMSXJZKLFOMP-CHWSQXEVSA-N 2 2 285.388 -0.456 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](CC3CC3)CCO2)C1 ZINC001035325840 799892377 /nfs/dbraw/zinc/89/23/77/799892377.db2.gz DCAQCQXFVQNNMN-KGLIPLIRSA-N 2 2 297.399 -0.456 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](CC3CC3)CCO2)C1 ZINC001035325840 799892383 /nfs/dbraw/zinc/89/23/83/799892383.db2.gz DCAQCQXFVQNNMN-KGLIPLIRSA-N 2 2 297.399 -0.456 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@H+](CC3CC3)CCO2)C1 ZINC001035325840 799892389 /nfs/dbraw/zinc/89/23/89/799892389.db2.gz DCAQCQXFVQNNMN-KGLIPLIRSA-N 2 2 297.399 -0.456 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+](CC3CC3)CCO2)C1 ZINC001035325840 799892397 /nfs/dbraw/zinc/89/23/97/799892397.db2.gz DCAQCQXFVQNNMN-KGLIPLIRSA-N 2 2 297.399 -0.456 20 0 CBADLP CCCC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001035327714 799894186 /nfs/dbraw/zinc/89/41/86/799894186.db2.gz MXRUUONXRMPRBX-KBPBESRZSA-N 2 2 299.415 -0.066 20 0 CBADLP CCCC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001035327714 799894193 /nfs/dbraw/zinc/89/41/93/799894193.db2.gz MXRUUONXRMPRBX-KBPBESRZSA-N 2 2 299.415 -0.066 20 0 CBADLP CCCC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001035327714 799894199 /nfs/dbraw/zinc/89/41/99/799894199.db2.gz MXRUUONXRMPRBX-KBPBESRZSA-N 2 2 299.415 -0.066 20 0 CBADLP CCCC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001035327714 799894207 /nfs/dbraw/zinc/89/42/07/799894207.db2.gz MXRUUONXRMPRBX-KBPBESRZSA-N 2 2 299.415 -0.066 20 0 CBADLP CC(C)[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001035409157 799915214 /nfs/dbraw/zinc/91/52/14/799915214.db2.gz WFIDDVZOQIEMPP-HZSPNIEDSA-N 2 2 299.415 -0.069 20 0 CBADLP CC(C)[N@H+]1CCO[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001035409157 799915221 /nfs/dbraw/zinc/91/52/21/799915221.db2.gz WFIDDVZOQIEMPP-HZSPNIEDSA-N 2 2 299.415 -0.069 20 0 CBADLP CC(C)[NH+]1CCO[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001035409157 799915225 /nfs/dbraw/zinc/91/52/25/799915225.db2.gz WFIDDVZOQIEMPP-HZSPNIEDSA-N 2 2 299.415 -0.069 20 0 CBADLP CC(C)[NH+]1CCO[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001035409157 799915231 /nfs/dbraw/zinc/91/52/31/799915231.db2.gz WFIDDVZOQIEMPP-HZSPNIEDSA-N 2 2 299.415 -0.069 20 0 CBADLP O=C(NC[C@@H]1C[N@H+](CCO)CCO1)C12CCC[NH+]1CCC2 ZINC001035432561 799921144 /nfs/dbraw/zinc/92/11/44/799921144.db2.gz KCSJXJHPEQRPFE-CYBMUJFWSA-N 2 2 297.399 -0.576 20 0 CBADLP O=C(NC[C@@H]1C[N@@H+](CCO)CCO1)C12CCC[NH+]1CCC2 ZINC001035432561 799921147 /nfs/dbraw/zinc/92/11/47/799921147.db2.gz KCSJXJHPEQRPFE-CYBMUJFWSA-N 2 2 297.399 -0.576 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001035607397 799951166 /nfs/dbraw/zinc/95/11/66/799951166.db2.gz QRYNOIWWANWQHD-KGLIPLIRSA-N 2 2 299.415 -0.068 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001035607397 799951174 /nfs/dbraw/zinc/95/11/74/799951174.db2.gz QRYNOIWWANWQHD-KGLIPLIRSA-N 2 2 299.415 -0.068 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001035607397 799951179 /nfs/dbraw/zinc/95/11/79/799951179.db2.gz QRYNOIWWANWQHD-KGLIPLIRSA-N 2 2 299.415 -0.068 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001035607397 799951186 /nfs/dbraw/zinc/95/11/86/799951186.db2.gz QRYNOIWWANWQHD-KGLIPLIRSA-N 2 2 299.415 -0.068 20 0 CBADLP CCC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001035606830 799952007 /nfs/dbraw/zinc/95/20/07/799952007.db2.gz IZHBSSWLASEJGZ-KGLIPLIRSA-N 2 2 299.415 -0.066 20 0 CBADLP CCC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001035606830 799952011 /nfs/dbraw/zinc/95/20/11/799952011.db2.gz IZHBSSWLASEJGZ-KGLIPLIRSA-N 2 2 299.415 -0.066 20 0 CBADLP CCC[NH+]1CCO[C@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001035606830 799952018 /nfs/dbraw/zinc/95/20/18/799952018.db2.gz IZHBSSWLASEJGZ-KGLIPLIRSA-N 2 2 299.415 -0.066 20 0 CBADLP CCC[NH+]1CCO[C@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001035606830 799952028 /nfs/dbraw/zinc/95/20/28/799952028.db2.gz IZHBSSWLASEJGZ-KGLIPLIRSA-N 2 2 299.415 -0.066 20 0 CBADLP C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@@H]1[NH2+]CC(N)=O ZINC001036234888 799984032 /nfs/dbraw/zinc/98/40/32/799984032.db2.gz CSZFZGKVAMSEFK-UWVGGRQHSA-N 2 2 279.344 -0.736 20 0 CBADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@H]1[NH2+]CC(N)=O ZINC001036311999 799986596 /nfs/dbraw/zinc/98/65/96/799986596.db2.gz DYTDBSNGWHQWQW-GHMZBOCLSA-N 2 2 279.344 -0.805 20 0 CBADLP CC[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@@H]1[NH2+]CC(N)=O ZINC001037999412 800029116 /nfs/dbraw/zinc/02/91/16/800029116.db2.gz XLRAJIBVWCBJKL-RYUDHWBXSA-N 2 2 293.371 -0.415 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CCn1cncn1 ZINC001038118095 800056926 /nfs/dbraw/zinc/05/69/26/800056926.db2.gz QMYAHYMWMWGZBI-QWHCGFSZSA-N 2 2 292.387 -0.437 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CCn1cncn1 ZINC001038118095 800056934 /nfs/dbraw/zinc/05/69/34/800056934.db2.gz QMYAHYMWMWGZBI-QWHCGFSZSA-N 2 2 292.387 -0.437 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCn1cncn1 ZINC001038118095 800056936 /nfs/dbraw/zinc/05/69/36/800056936.db2.gz QMYAHYMWMWGZBI-QWHCGFSZSA-N 2 2 292.387 -0.437 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1CCn1cncn1 ZINC001038118095 800056945 /nfs/dbraw/zinc/05/69/45/800056945.db2.gz QMYAHYMWMWGZBI-QWHCGFSZSA-N 2 2 292.387 -0.437 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CCn1cncn1 ZINC001038118098 800057269 /nfs/dbraw/zinc/05/72/69/800057269.db2.gz QMYAHYMWMWGZBI-STQMWFEESA-N 2 2 292.387 -0.437 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CCn1cncn1 ZINC001038118098 800057281 /nfs/dbraw/zinc/05/72/81/800057281.db2.gz QMYAHYMWMWGZBI-STQMWFEESA-N 2 2 292.387 -0.437 20 0 CBADLP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCn1cncn1 ZINC001038118098 800057290 /nfs/dbraw/zinc/05/72/90/800057290.db2.gz QMYAHYMWMWGZBI-STQMWFEESA-N 2 2 292.387 -0.437 20 0 CBADLP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CCn1cncn1 ZINC001038118098 800057298 /nfs/dbraw/zinc/05/72/98/800057298.db2.gz QMYAHYMWMWGZBI-STQMWFEESA-N 2 2 292.387 -0.437 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+]1CC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001038662153 801234111 /nfs/dbraw/zinc/23/41/11/801234111.db2.gz JMYYPZFLTLRIIR-AAEUAGOBSA-N 2 2 296.415 -0.347 20 0 CBADLP CNC(=O)[C@H](C)[N@H+]1CC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001038662153 801234115 /nfs/dbraw/zinc/23/41/15/801234115.db2.gz JMYYPZFLTLRIIR-AAEUAGOBSA-N 2 2 296.415 -0.347 20 0 CBADLP C[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+]2[C@H]2CCNC2=O)CC1 ZINC001038663936 801234743 /nfs/dbraw/zinc/23/47/43/801234743.db2.gz RDROQILKDRAXQW-STQMWFEESA-N 2 2 294.399 -0.593 20 0 CBADLP C[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+]2[C@H]2CCNC2=O)CC1 ZINC001038663936 801234749 /nfs/dbraw/zinc/23/47/49/801234749.db2.gz RDROQILKDRAXQW-STQMWFEESA-N 2 2 294.399 -0.593 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001038673103 801235384 /nfs/dbraw/zinc/23/53/84/801235384.db2.gz ZPTLHOHDRXPASD-STQMWFEESA-N 2 2 296.415 -0.217 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001038673103 801235387 /nfs/dbraw/zinc/23/53/87/801235387.db2.gz ZPTLHOHDRXPASD-STQMWFEESA-N 2 2 296.415 -0.217 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001038673092 801236037 /nfs/dbraw/zinc/23/60/37/801236037.db2.gz ZPTLHOHDRXPASD-CHWSQXEVSA-N 2 2 296.415 -0.217 20 0 CBADLP CC[C@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001038673092 801236041 /nfs/dbraw/zinc/23/60/41/801236041.db2.gz ZPTLHOHDRXPASD-CHWSQXEVSA-N 2 2 296.415 -0.217 20 0 CBADLP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CC[NH+]2CC(=O)N2CCC2)C1 ZINC001039020419 801279891 /nfs/dbraw/zinc/27/98/91/801279891.db2.gz ZGPAKTSYIWLFCL-OLZOCXBDSA-N 2 2 294.399 -0.639 20 0 CBADLP C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CC[NH+]2CC(=O)N2CCC2)C1 ZINC001039020419 801279894 /nfs/dbraw/zinc/27/98/94/801279894.db2.gz ZGPAKTSYIWLFCL-OLZOCXBDSA-N 2 2 294.399 -0.639 20 0 CBADLP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CC[N@@H+]2CC(=O)N2CCC2)C1 ZINC001039020419 801279896 /nfs/dbraw/zinc/27/98/96/801279896.db2.gz ZGPAKTSYIWLFCL-OLZOCXBDSA-N 2 2 294.399 -0.639 20 0 CBADLP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CC[N@H+]2CC(=O)N2CCC2)C1 ZINC001039020419 801279898 /nfs/dbraw/zinc/27/98/98/801279898.db2.gz ZGPAKTSYIWLFCL-OLZOCXBDSA-N 2 2 294.399 -0.639 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[NH+]2CCOC)C1 ZINC001039041342 801283461 /nfs/dbraw/zinc/28/34/61/801283461.db2.gz XWVZBESPDNBQCL-CHWSQXEVSA-N 2 2 285.388 -0.456 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[NH+]2CCOC)C1 ZINC001039041342 801283468 /nfs/dbraw/zinc/28/34/68/801283468.db2.gz XWVZBESPDNBQCL-CHWSQXEVSA-N 2 2 285.388 -0.456 20 0 CBADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@H]2CC[N@@H+]2CCOC)C1 ZINC001039041342 801283474 /nfs/dbraw/zinc/28/34/74/801283474.db2.gz XWVZBESPDNBQCL-CHWSQXEVSA-N 2 2 285.388 -0.456 20 0 CBADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@H]2CC[N@H+]2CCOC)C1 ZINC001039041342 801283479 /nfs/dbraw/zinc/28/34/79/801283479.db2.gz XWVZBESPDNBQCL-CHWSQXEVSA-N 2 2 285.388 -0.456 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CC[NH+]2CCOC)C1 ZINC001039041345 801283768 /nfs/dbraw/zinc/28/37/68/801283768.db2.gz XWVZBESPDNBQCL-STQMWFEESA-N 2 2 285.388 -0.456 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CC[NH+]2CCOC)C1 ZINC001039041345 801283775 /nfs/dbraw/zinc/28/37/75/801283775.db2.gz XWVZBESPDNBQCL-STQMWFEESA-N 2 2 285.388 -0.456 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2CC[N@@H+]2CCOC)C1 ZINC001039041345 801283780 /nfs/dbraw/zinc/28/37/80/801283780.db2.gz XWVZBESPDNBQCL-STQMWFEESA-N 2 2 285.388 -0.456 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2CC[N@H+]2CCOC)C1 ZINC001039041345 801283786 /nfs/dbraw/zinc/28/37/86/801283786.db2.gz XWVZBESPDNBQCL-STQMWFEESA-N 2 2 285.388 -0.456 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]2CC[N@H+](CCO)[C@H]2C1 ZINC001042314614 801457336 /nfs/dbraw/zinc/45/73/36/801457336.db2.gz UAEQDOKRHBBBOW-JSGCOSHPSA-N 2 2 292.383 -0.122 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]2CC[N@@H+](CCO)[C@H]2C1 ZINC001042314614 801457341 /nfs/dbraw/zinc/45/73/41/801457341.db2.gz UAEQDOKRHBBBOW-JSGCOSHPSA-N 2 2 292.383 -0.122 20 0 CBADLP CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)C1C[NH+](CCO)C1 ZINC001042727566 801513112 /nfs/dbraw/zinc/51/31/12/801513112.db2.gz MUEIZXFJCMBNIY-CYBMUJFWSA-N 2 2 267.373 -0.537 20 0 CBADLP COC[C@@H](C)[NH+]1CC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001043066853 801538469 /nfs/dbraw/zinc/53/84/69/801538469.db2.gz HBBXJTXMPFCFKF-YRGRVCCFSA-N 2 2 299.415 -0.117 20 0 CBADLP COC[C@@H](C)[NH+]1CC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001043066853 801538475 /nfs/dbraw/zinc/53/84/75/801538475.db2.gz HBBXJTXMPFCFKF-YRGRVCCFSA-N 2 2 299.415 -0.117 20 0 CBADLP CN(C(=O)[C@H]1CCCC[N@@H+]1C)C1C[NH+](CCCO)C1 ZINC001043100307 801541256 /nfs/dbraw/zinc/54/12/56/801541256.db2.gz WZCRPPQJYMENOM-CYBMUJFWSA-N 2 2 269.389 -0.004 20 0 CBADLP CN(C(=O)[C@H]1CCCC[N@H+]1C)C1C[NH+](CCCO)C1 ZINC001043100307 801541259 /nfs/dbraw/zinc/54/12/59/801541259.db2.gz WZCRPPQJYMENOM-CYBMUJFWSA-N 2 2 269.389 -0.004 20 0 CBADLP CN(C(=O)C[NH+]1CCCC1)C1C[NH+](CCCO)C1 ZINC001044296253 801638728 /nfs/dbraw/zinc/63/87/28/801638728.db2.gz FKCGYEFYSGNDNK-UHFFFAOYSA-N 2 2 255.362 -0.393 20 0 CBADLP C[C@H]1C[C@@H]([NH2+]CC(N)=O)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001044623798 801660790 /nfs/dbraw/zinc/66/07/90/801660790.db2.gz DVHQUFNCAQEFQB-QWRGUYRKSA-N 2 2 293.371 -0.203 20 0 CBADLP C[C@H]1C[C@@H]([NH2+]CC(N)=O)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001044623798 801660793 /nfs/dbraw/zinc/66/07/93/801660793.db2.gz DVHQUFNCAQEFQB-QWRGUYRKSA-N 2 2 293.371 -0.203 20 0 CBADLP C[C@@H]1C[C@@H]([NH2+]CCO)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001044804818 801670805 /nfs/dbraw/zinc/67/08/05/801670805.db2.gz BJNBNTLKYWECTQ-MNOVXSKESA-N 2 2 266.345 -0.086 20 0 CBADLP C[C@H]1C[C@H]([NH2+]CC(N)=O)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001044801409 801670950 /nfs/dbraw/zinc/67/09/50/801670950.db2.gz XHYFWBYNUFNLOE-VHSXEESVSA-N 2 2 279.344 -0.593 20 0 CBADLP C[C@@H]1C[C@@H]([NH2+]CC(N)=O)CCN1C(=O)Cc1c[nH+]cn1C ZINC001044819275 801671920 /nfs/dbraw/zinc/67/19/20/801671920.db2.gz JVNHPCKDDCJEFM-MNOVXSKESA-N 2 2 293.371 -0.583 20 0 CBADLP C[C@H](O)C[NH+]1CCC(C)(NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001045398075 801695639 /nfs/dbraw/zinc/69/56/39/801695639.db2.gz TYUKWBZQNIBFJK-QWHCGFSZSA-N 2 2 299.415 -0.332 20 0 CBADLP C[C@H](O)C[NH+]1CCC(C)(NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001045398075 801695645 /nfs/dbraw/zinc/69/56/45/801695645.db2.gz TYUKWBZQNIBFJK-QWHCGFSZSA-N 2 2 299.415 -0.332 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001046191055 801736764 /nfs/dbraw/zinc/73/67/64/801736764.db2.gz YNCIXIBBUIOHAI-SMDDNHRTSA-N 2 2 282.388 -0.593 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001046191055 801736766 /nfs/dbraw/zinc/73/67/66/801736766.db2.gz YNCIXIBBUIOHAI-SMDDNHRTSA-N 2 2 282.388 -0.593 20 0 CBADLP CNC(=O)C[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001046191055 801736769 /nfs/dbraw/zinc/73/67/69/801736769.db2.gz YNCIXIBBUIOHAI-SMDDNHRTSA-N 2 2 282.388 -0.593 20 0 CBADLP CNC(=O)C[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001046191055 801736773 /nfs/dbraw/zinc/73/67/73/801736773.db2.gz YNCIXIBBUIOHAI-SMDDNHRTSA-N 2 2 282.388 -0.593 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001046558983 801775175 /nfs/dbraw/zinc/77/51/75/801775175.db2.gz WNZOJZJVSGLSFN-WFASDCNBSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001046558983 801775179 /nfs/dbraw/zinc/77/51/79/801775179.db2.gz WNZOJZJVSGLSFN-WFASDCNBSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[NH+]1CC[C@](C)(NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001046558983 801775182 /nfs/dbraw/zinc/77/51/82/801775182.db2.gz WNZOJZJVSGLSFN-WFASDCNBSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[NH+]1CC[C@](C)(NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001046558983 801775185 /nfs/dbraw/zinc/77/51/85/801775185.db2.gz WNZOJZJVSGLSFN-WFASDCNBSA-N 2 2 296.415 -0.203 20 0 CBADLP CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001047436258 801870967 /nfs/dbraw/zinc/87/09/67/801870967.db2.gz VMTJXCYCBCIZHN-UBHSHLNASA-N 2 2 292.383 -0.031 20 0 CBADLP CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001047436258 801870974 /nfs/dbraw/zinc/87/09/74/801870974.db2.gz VMTJXCYCBCIZHN-UBHSHLNASA-N 2 2 292.383 -0.031 20 0 CBADLP CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001047435305 801871611 /nfs/dbraw/zinc/87/16/11/801871611.db2.gz IGRPBUWMLMTOBA-AGIUHOORSA-N 2 2 292.383 -0.031 20 0 CBADLP CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001047435305 801871615 /nfs/dbraw/zinc/87/16/15/801871615.db2.gz IGRPBUWMLMTOBA-AGIUHOORSA-N 2 2 292.383 -0.031 20 0 CBADLP COCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001047544529 801896614 /nfs/dbraw/zinc/89/66/14/801896614.db2.gz CYICFOKWDLMTKY-RYUDHWBXSA-N 2 2 282.344 -0.898 20 0 CBADLP COCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001047544529 801896618 /nfs/dbraw/zinc/89/66/18/801896618.db2.gz CYICFOKWDLMTKY-RYUDHWBXSA-N 2 2 282.344 -0.898 20 0 CBADLP CO[C@H](C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001047545036 801898403 /nfs/dbraw/zinc/89/84/03/801898403.db2.gz NWYRSMQELHGQOW-WXHSDQCUSA-N 2 2 296.371 -0.509 20 0 CBADLP CC(C)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001047597822 801906622 /nfs/dbraw/zinc/90/66/22/801906622.db2.gz HJDZRAHFPGIIEU-STQMWFEESA-N 2 2 280.372 -0.126 20 0 CBADLP CC(C)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001047597822 801906624 /nfs/dbraw/zinc/90/66/24/801906624.db2.gz HJDZRAHFPGIIEU-STQMWFEESA-N 2 2 280.372 -0.126 20 0 CBADLP CN(C(=O)Cc1c[nH+]cn1C)[C@H]1C[N@H+](CC2CC2)C[C@@H]1O ZINC001047598038 801907443 /nfs/dbraw/zinc/90/74/43/801907443.db2.gz RSNZODUXHUIQOJ-KBPBESRZSA-N 2 2 292.383 -0.124 20 0 CBADLP CN(C(=O)Cc1c[nH+]cn1C)[C@H]1C[N@@H+](CC2CC2)C[C@@H]1O ZINC001047598038 801907449 /nfs/dbraw/zinc/90/74/49/801907449.db2.gz RSNZODUXHUIQOJ-KBPBESRZSA-N 2 2 292.383 -0.124 20 0 CBADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC001047597982 801907475 /nfs/dbraw/zinc/90/74/75/801907475.db2.gz PFIFFIOEAZMIRQ-QWRGUYRKSA-N 2 2 296.371 -0.817 20 0 CBADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047597982 801907480 /nfs/dbraw/zinc/90/74/80/801907480.db2.gz PFIFFIOEAZMIRQ-QWRGUYRKSA-N 2 2 296.371 -0.817 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@H]1C[N@H+](C[C@@H](C)O)C[C@@H]1O ZINC001047611971 801911721 /nfs/dbraw/zinc/91/17/21/801911721.db2.gz OAKCJYKYIABBDF-ICCXJUOJSA-N 2 2 296.371 -0.855 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@H]1C[N@@H+](C[C@@H](C)O)C[C@@H]1O ZINC001047611971 801911726 /nfs/dbraw/zinc/91/17/26/801911726.db2.gz OAKCJYKYIABBDF-ICCXJUOJSA-N 2 2 296.371 -0.855 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+](CCF)C[C@@H]3C2)C1 ZINC001048739662 801961590 /nfs/dbraw/zinc/96/15/90/801961590.db2.gz NBTDGMAZAMVGFG-FRRDWIJNSA-N 2 2 285.363 -0.323 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+](CCF)C[C@@H]3C2)C1 ZINC001048739662 801961593 /nfs/dbraw/zinc/96/15/93/801961593.db2.gz NBTDGMAZAMVGFG-FRRDWIJNSA-N 2 2 285.363 -0.323 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@@H+](CCF)C[C@@H]3C2)C1 ZINC001048739662 801961596 /nfs/dbraw/zinc/96/15/96/801961596.db2.gz NBTDGMAZAMVGFG-FRRDWIJNSA-N 2 2 285.363 -0.323 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@H+](CCF)C[C@@H]3C2)C1 ZINC001048739662 801961598 /nfs/dbraw/zinc/96/15/98/801961598.db2.gz NBTDGMAZAMVGFG-FRRDWIJNSA-N 2 2 285.363 -0.323 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)N1C[C@@H]2C[N@H+](CCO)C[C@@H]2C1 ZINC001048853416 801973234 /nfs/dbraw/zinc/97/32/34/801973234.db2.gz BDRWLMUYLOVKTD-TXEJJXNPSA-N 2 2 278.356 -0.275 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)N1C[C@@H]2C[N@@H+](CCO)C[C@@H]2C1 ZINC001048853416 801973239 /nfs/dbraw/zinc/97/32/39/801973239.db2.gz BDRWLMUYLOVKTD-TXEJJXNPSA-N 2 2 278.356 -0.275 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)N1C[C@@H]2C[N@H+](CCO)C[C@@H]2C1 ZINC001048853416 801973243 /nfs/dbraw/zinc/97/32/43/801973243.db2.gz BDRWLMUYLOVKTD-TXEJJXNPSA-N 2 2 278.356 -0.275 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)N1C[C@@H]2C[N@@H+](CCO)C[C@@H]2C1 ZINC001048853416 801973248 /nfs/dbraw/zinc/97/32/48/801973248.db2.gz BDRWLMUYLOVKTD-TXEJJXNPSA-N 2 2 278.356 -0.275 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1C[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2C1 ZINC001049131382 802002129 /nfs/dbraw/zinc/00/21/29/802002129.db2.gz JWIQFJNQVUNKDI-GARJFASQSA-N 2 2 291.355 -0.784 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2C1 ZINC001049131382 802002137 /nfs/dbraw/zinc/00/21/37/802002137.db2.gz JWIQFJNQVUNKDI-GARJFASQSA-N 2 2 291.355 -0.784 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)N1C[C@@H]2C[N@@H+](CCO)C[C@@H]2C1 ZINC001049196955 802005949 /nfs/dbraw/zinc/00/59/49/802005949.db2.gz FBJVNBCJQYYWFZ-BETUJISGSA-N 2 2 292.383 -0.265 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)N1C[C@@H]2C[N@H+](CCO)C[C@@H]2C1 ZINC001049196955 802005956 /nfs/dbraw/zinc/00/59/56/802005956.db2.gz FBJVNBCJQYYWFZ-BETUJISGSA-N 2 2 292.383 -0.265 20 0 CBADLP NC(=O)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC001049929737 802042507 /nfs/dbraw/zinc/04/25/07/802042507.db2.gz CGBKXQNJDRIFOL-NEPJUHHUSA-N 2 2 291.355 -0.566 20 0 CBADLP NC(=O)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC001049929737 802042517 /nfs/dbraw/zinc/04/25/17/802042517.db2.gz CGBKXQNJDRIFOL-NEPJUHHUSA-N 2 2 291.355 -0.566 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1CCC[N@@H+](CCO)CC1 ZINC001052751658 802217362 /nfs/dbraw/zinc/21/73/62/802217362.db2.gz XIUQZTINEMHWRT-NSHDSACASA-N 2 2 266.345 -0.085 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1CCC[N@H+](CCO)CC1 ZINC001052751658 802217372 /nfs/dbraw/zinc/21/73/72/802217372.db2.gz XIUQZTINEMHWRT-NSHDSACASA-N 2 2 266.345 -0.085 20 0 CBADLP COCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)CO2 ZINC001053756094 802286043 /nfs/dbraw/zinc/28/60/43/802286043.db2.gz OOCVDPRNALUQMU-CHWSQXEVSA-N 2 2 297.399 -0.314 20 0 CBADLP COCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)CO2 ZINC001053756094 802286046 /nfs/dbraw/zinc/28/60/46/802286046.db2.gz OOCVDPRNALUQMU-CHWSQXEVSA-N 2 2 297.399 -0.314 20 0 CBADLP COCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)CO2 ZINC001053756095 802286120 /nfs/dbraw/zinc/28/61/20/802286120.db2.gz OOCVDPRNALUQMU-OLZOCXBDSA-N 2 2 297.399 -0.314 20 0 CBADLP COCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)CO2 ZINC001053756095 802286125 /nfs/dbraw/zinc/28/61/25/802286125.db2.gz OOCVDPRNALUQMU-OLZOCXBDSA-N 2 2 297.399 -0.314 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1COC2(C[NH+](CCCO)C2)C1 ZINC001053756456 802287091 /nfs/dbraw/zinc/28/70/91/802287091.db2.gz XFGGLBBPDWNTDT-OLZOCXBDSA-N 2 2 297.399 -0.578 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1COC2(C[NH+](CCCO)C2)C1 ZINC001053756456 802287093 /nfs/dbraw/zinc/28/70/93/802287093.db2.gz XFGGLBBPDWNTDT-OLZOCXBDSA-N 2 2 297.399 -0.578 20 0 CBADLP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2COC3(C[NH+](CCO)C3)C2)C1 ZINC001053926145 802312878 /nfs/dbraw/zinc/31/28/78/802312878.db2.gz XAWGLVNXNVCGHK-CHWSQXEVSA-N 2 2 297.399 -0.720 20 0 CBADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2COC3(C[NH+](CCO)C3)C2)C1 ZINC001053926145 802312887 /nfs/dbraw/zinc/31/28/87/802312887.db2.gz XAWGLVNXNVCGHK-CHWSQXEVSA-N 2 2 297.399 -0.720 20 0 CBADLP C[C@H]1CC[N@H+](CC(=O)N[C@H]2COC3(C[NH+](CCO)C3)C2)C1 ZINC001053926147 802313251 /nfs/dbraw/zinc/31/32/51/802313251.db2.gz XAWGLVNXNVCGHK-QWHCGFSZSA-N 2 2 297.399 -0.720 20 0 CBADLP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2COC3(C[NH+](CCO)C3)C2)C1 ZINC001053926147 802313259 /nfs/dbraw/zinc/31/32/59/802313259.db2.gz XAWGLVNXNVCGHK-QWHCGFSZSA-N 2 2 297.399 -0.720 20 0 CBADLP C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1[NH2+]CCO ZINC001054716948 802366192 /nfs/dbraw/zinc/36/61/92/802366192.db2.gz AEZNCGBJLBLFAA-CMPLNLGQSA-N 2 2 266.345 -0.229 20 0 CBADLP C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1[NH2+]CCO ZINC001054716948 802366199 /nfs/dbraw/zinc/36/61/99/802366199.db2.gz AEZNCGBJLBLFAA-CMPLNLGQSA-N 2 2 266.345 -0.229 20 0 CBADLP CCC[N@H+](C)CC(=O)NCC[NH2+]Cc1nc(COC)no1 ZINC001148639027 814954698 /nfs/dbraw/zinc/95/46/98/814954698.db2.gz YIVNYYJFHQAHSY-UHFFFAOYSA-N 2 2 299.375 -0.236 20 0 CBADLP CCC[N@@H+](C)CC(=O)NCC[NH2+]Cc1nc(COC)no1 ZINC001148639027 814954700 /nfs/dbraw/zinc/95/47/00/814954700.db2.gz YIVNYYJFHQAHSY-UHFFFAOYSA-N 2 2 299.375 -0.236 20 0 CBADLP CCC[N@H+](C)CC(=O)NCC[NH2+]Cc1nonc1C ZINC001148639002 814955330 /nfs/dbraw/zinc/95/53/30/814955330.db2.gz XEBCOFKVPQQHOZ-UHFFFAOYSA-N 2 2 269.349 -0.074 20 0 CBADLP CCC[N@@H+](C)CC(=O)NCC[NH2+]Cc1nonc1C ZINC001148639002 814955334 /nfs/dbraw/zinc/95/53/34/814955334.db2.gz XEBCOFKVPQQHOZ-UHFFFAOYSA-N 2 2 269.349 -0.074 20 0 CBADLP CCCNC(=O)C[NH2+]CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001149124913 814971050 /nfs/dbraw/zinc/97/10/50/814971050.db2.gz XHXAIYWRCNDBNF-UHFFFAOYSA-N 2 2 281.360 -0.507 20 0 CBADLP C[C@@H](C[NH2+]CCn1cncn1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001322033711 803854114 /nfs/dbraw/zinc/85/41/14/803854114.db2.gz YLUPJOMKUXYGBG-JTQLQIEISA-N 2 2 277.332 -0.662 20 0 CBADLP CCn1nncc1C[NH2+]CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001149135107 814973339 /nfs/dbraw/zinc/97/33/39/814973339.db2.gz QKLWXLZNPIABSF-UHFFFAOYSA-N 2 2 291.359 -0.222 20 0 CBADLP CN(CCC[NH2+]CCn1cncn1)C(=O)Cc1c[nH+]c[nH]1 ZINC001322710773 803930797 /nfs/dbraw/zinc/93/07/97/803930797.db2.gz LNMBOVLNNJJOPQ-UHFFFAOYSA-N 2 2 291.359 -0.318 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CC[N@@H+]1CCOCCO ZINC001323274125 804000186 /nfs/dbraw/zinc/00/01/86/804000186.db2.gz VQQXKWHUUNCKRK-ZDUSSCGKSA-N 2 2 296.371 -0.609 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CC[N@H+]1CCOCCO ZINC001323274125 804000195 /nfs/dbraw/zinc/00/01/95/804000195.db2.gz VQQXKWHUUNCKRK-ZDUSSCGKSA-N 2 2 296.371 -0.609 20 0 CBADLP C[C@H]1CC[N@H+](CC(=O)N2CC[NH+](C)C[C@H]2CO)C1 ZINC001149367765 814986472 /nfs/dbraw/zinc/98/64/72/814986472.db2.gz JOBVCPUJMATAFA-RYUDHWBXSA-N 2 2 255.362 -0.537 20 0 CBADLP C[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)C[C@H]2CO)C1 ZINC001149367765 814986478 /nfs/dbraw/zinc/98/64/78/814986478.db2.gz JOBVCPUJMATAFA-RYUDHWBXSA-N 2 2 255.362 -0.537 20 0 CBADLP C[C@H]1CC[NH+](CC(=O)N2CC[N@H+](C)C[C@H]2CO)C1 ZINC001149367765 814986483 /nfs/dbraw/zinc/98/64/83/814986483.db2.gz JOBVCPUJMATAFA-RYUDHWBXSA-N 2 2 255.362 -0.537 20 0 CBADLP C[C@H]1CC[NH+](CC(=O)N2CC[N@@H+](C)C[C@H]2CO)C1 ZINC001149367765 814986485 /nfs/dbraw/zinc/98/64/85/814986485.db2.gz JOBVCPUJMATAFA-RYUDHWBXSA-N 2 2 255.362 -0.537 20 0 CBADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001324089283 804104909 /nfs/dbraw/zinc/10/49/09/804104909.db2.gz UZEQATCKOOXIMC-LLVKDONJSA-N 2 2 251.334 -0.755 20 0 CBADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001324089283 804104914 /nfs/dbraw/zinc/10/49/14/804104914.db2.gz UZEQATCKOOXIMC-LLVKDONJSA-N 2 2 251.334 -0.755 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)NCC[NH2+]CC(=O)N1CCC1 ZINC001149554661 814999498 /nfs/dbraw/zinc/99/94/98/814999498.db2.gz YNMVCYCXDSIHJZ-UHFFFAOYSA-N 2 2 293.371 -0.709 20 0 CBADLP NC(=O)NC(=O)CC[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC001325880766 804330653 /nfs/dbraw/zinc/33/06/53/804330653.db2.gz UNIPSEHULYTQSN-MRVPVSSYSA-N 2 2 251.290 -0.628 20 0 CBADLP C[C@@H](O)C[N@@H+]1CCCO[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001150371446 815027283 /nfs/dbraw/zinc/02/72/83/815027283.db2.gz IGXCXITTXYMEPF-YPMHNXCESA-N 2 2 296.371 -0.460 20 0 CBADLP C[C@@H](O)C[N@H+]1CCCO[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001150371446 815027289 /nfs/dbraw/zinc/02/72/89/815027289.db2.gz IGXCXITTXYMEPF-YPMHNXCESA-N 2 2 296.371 -0.460 20 0 CBADLP COCC[N@@H+]1CCCO[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001150497586 815033631 /nfs/dbraw/zinc/03/36/31/815033631.db2.gz JYPXVUAULUCADT-LBPRGKRZSA-N 2 2 296.371 -0.194 20 0 CBADLP COCC[N@H+]1CCCO[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001150497586 815033638 /nfs/dbraw/zinc/03/36/38/815033638.db2.gz JYPXVUAULUCADT-LBPRGKRZSA-N 2 2 296.371 -0.194 20 0 CBADLP CC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001065712976 805091438 /nfs/dbraw/zinc/09/14/38/805091438.db2.gz JJQHPQSPTBCPGV-CQSZACIVSA-N 2 2 296.415 -0.297 20 0 CBADLP C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]Cc2csnn2)C1 ZINC001151048664 815052260 /nfs/dbraw/zinc/05/22/60/815052260.db2.gz CUYAVMBYRKOJRK-SECBINFHSA-N 2 2 269.374 -0.304 20 0 CBADLP C[N@H+]1CC[C@@H](C(=O)NCC[NH2+]Cc2csnn2)C1 ZINC001151048664 815052266 /nfs/dbraw/zinc/05/22/66/815052266.db2.gz CUYAVMBYRKOJRK-SECBINFHSA-N 2 2 269.374 -0.304 20 0 CBADLP CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001069902551 805163728 /nfs/dbraw/zinc/16/37/28/805163728.db2.gz CLZXSJUYKJUPHF-UPJWGTAASA-N 2 2 292.387 -0.266 20 0 CBADLP CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001069902551 805163734 /nfs/dbraw/zinc/16/37/34/805163734.db2.gz CLZXSJUYKJUPHF-UPJWGTAASA-N 2 2 292.387 -0.266 20 0 CBADLP CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@@H](n2ccnn2)C1 ZINC001069902551 805163739 /nfs/dbraw/zinc/16/37/39/805163739.db2.gz CLZXSJUYKJUPHF-UPJWGTAASA-N 2 2 292.387 -0.266 20 0 CBADLP CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@@H](n2ccnn2)C1 ZINC001069902551 805163746 /nfs/dbraw/zinc/16/37/46/805163746.db2.gz CLZXSJUYKJUPHF-UPJWGTAASA-N 2 2 292.387 -0.266 20 0 CBADLP C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]Cc2cnon2)C1 ZINC001151064380 815054172 /nfs/dbraw/zinc/05/41/72/815054172.db2.gz ATPSTQANDXABTJ-VIFPVBQESA-N 2 2 253.306 -0.773 20 0 CBADLP C[N@H+]1CC[C@H](C(=O)NCC[NH2+]Cc2cnon2)C1 ZINC001151064380 815054176 /nfs/dbraw/zinc/05/41/76/815054176.db2.gz ATPSTQANDXABTJ-VIFPVBQESA-N 2 2 253.306 -0.773 20 0 CBADLP C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]Cc2ncccn2)C1 ZINC001151049418 815054320 /nfs/dbraw/zinc/05/43/20/815054320.db2.gz NWMZGAIIPVTEBA-LLVKDONJSA-N 2 2 263.345 -0.366 20 0 CBADLP C[N@H+]1CC[C@@H](C(=O)NCC[NH2+]Cc2ncccn2)C1 ZINC001151049418 815054327 /nfs/dbraw/zinc/05/43/27/815054327.db2.gz NWMZGAIIPVTEBA-LLVKDONJSA-N 2 2 263.345 -0.366 20 0 CBADLP O=C(C[NH+]1CCCC1)NCC[NH2+]Cc1ncccn1 ZINC001151098351 815060679 /nfs/dbraw/zinc/06/06/79/815060679.db2.gz XPLFPWSNZDLLEB-UHFFFAOYSA-N 2 2 263.345 -0.222 20 0 CBADLP Cc1nnc([C@H](C)[NH2+]CCNC(=O)C[NH+]2CCCC2)[nH]1 ZINC001151101889 815062029 /nfs/dbraw/zinc/06/20/29/815062029.db2.gz ZCSYJTITWWCMCG-JTQLQIEISA-N 2 2 280.376 -0.024 20 0 CBADLP C[C@@H]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C[N@@H+]1CC(N)=O ZINC001071994763 805279030 /nfs/dbraw/zinc/27/90/30/805279030.db2.gz HCKRDWQRIPNCGK-VXGBXAGGSA-N 2 2 294.399 -0.463 20 0 CBADLP C[C@@H]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C[N@H+]1CC(N)=O ZINC001071994763 805279036 /nfs/dbraw/zinc/27/90/36/805279036.db2.gz HCKRDWQRIPNCGK-VXGBXAGGSA-N 2 2 294.399 -0.463 20 0 CBADLP C[C@@H]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C[N@@H+]1CCO ZINC001072123862 805287239 /nfs/dbraw/zinc/28/72/39/805287239.db2.gz VCGFJXUZBDMDIP-VXGBXAGGSA-N 2 2 266.345 -0.156 20 0 CBADLP C[C@@H]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C[N@H+]1CCO ZINC001072123862 805287244 /nfs/dbraw/zinc/28/72/44/805287244.db2.gz VCGFJXUZBDMDIP-VXGBXAGGSA-N 2 2 266.345 -0.156 20 0 CBADLP Cc1nonc1C[NH2+]CCNC(=O)Cn1cc[nH+]c1C ZINC001151147597 815063659 /nfs/dbraw/zinc/06/36/59/815063659.db2.gz RXJPDKYUDZCLJA-UHFFFAOYSA-N 2 2 278.316 -0.211 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]Cc1cnon1 ZINC001151156658 815065096 /nfs/dbraw/zinc/06/50/96/815065096.db2.gz FZUHTZIFZILJHU-NSHDSACASA-N 2 2 297.359 -0.756 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC3(C2)CC[NH+](CCF)C3)C1 ZINC001072577702 805315902 /nfs/dbraw/zinc/31/59/02/805315902.db2.gz AWHRVULBGLVWBY-GFCCVEGCSA-N 2 2 285.363 -0.179 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N2CC3(C2)CC[NH+](CCF)C3)C1 ZINC001072577702 805315906 /nfs/dbraw/zinc/31/59/06/805315906.db2.gz AWHRVULBGLVWBY-GFCCVEGCSA-N 2 2 285.363 -0.179 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)N2CC3(C2)CC[N@H+](CCF)C3)C1 ZINC001072577702 805315917 /nfs/dbraw/zinc/31/59/17/805315917.db2.gz AWHRVULBGLVWBY-GFCCVEGCSA-N 2 2 285.363 -0.179 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)N2CC3(C2)CC[N@@H+](CCF)C3)C1 ZINC001072577702 805315928 /nfs/dbraw/zinc/31/59/28/805315928.db2.gz AWHRVULBGLVWBY-GFCCVEGCSA-N 2 2 285.363 -0.179 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CC2(C1)CC[N@H+](CCCO)C2 ZINC001073127961 805362278 /nfs/dbraw/zinc/36/22/78/805362278.db2.gz MHPFJCPNBRQLBH-UHFFFAOYSA-N 2 2 292.383 -0.121 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CC2(C1)CC[N@@H+](CCCO)C2 ZINC001073127961 805362283 /nfs/dbraw/zinc/36/22/83/805362283.db2.gz MHPFJCPNBRQLBH-UHFFFAOYSA-N 2 2 292.383 -0.121 20 0 CBADLP C[C@H](O)C[N@@H+]1CCC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001073483746 805370226 /nfs/dbraw/zinc/37/02/26/805370226.db2.gz IOQWWSAFFBIQNI-LBPRGKRZSA-N 2 2 278.356 -0.202 20 0 CBADLP C[C@H](O)C[N@H+]1CCC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001073483746 805370237 /nfs/dbraw/zinc/37/02/37/805370237.db2.gz IOQWWSAFFBIQNI-LBPRGKRZSA-N 2 2 278.356 -0.202 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N1CC2(C1)CC[N@H+](CC(N)=O)C2 ZINC001073432116 805371494 /nfs/dbraw/zinc/37/14/94/805371494.db2.gz XKBAXCSAQOQKIP-UHFFFAOYSA-N 2 2 291.355 -0.789 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N1CC2(C1)CC[N@@H+](CC(N)=O)C2 ZINC001073432116 805371503 /nfs/dbraw/zinc/37/15/03/805371503.db2.gz XKBAXCSAQOQKIP-UHFFFAOYSA-N 2 2 291.355 -0.789 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CC2(C1)CC[N@@H+](CCO)C2 ZINC001073486035 805373928 /nfs/dbraw/zinc/37/39/28/805373928.db2.gz NQEAGRIMVVQKFD-UHFFFAOYSA-N 2 2 264.329 -0.590 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CC2(C1)CC[N@H+](CCO)C2 ZINC001073486035 805373937 /nfs/dbraw/zinc/37/39/37/805373937.db2.gz NQEAGRIMVVQKFD-UHFFFAOYSA-N 2 2 264.329 -0.590 20 0 CBADLP C[C@H]([NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@H]1C)C(N)=O ZINC001074781435 805471555 /nfs/dbraw/zinc/47/15/55/805471555.db2.gz LGVQWFLJQPVJER-SRVKXCTJSA-N 2 2 293.371 -0.274 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]([NH2+][C@H](C)C(N)=O)[C@@H]1C ZINC001075070821 805481298 /nfs/dbraw/zinc/48/12/98/805481298.db2.gz WUYXTRFJXDBHNS-VWYCJHECSA-N 2 2 293.371 -0.287 20 0 CBADLP CC[C@H]([NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@H]1C)C(N)=O ZINC001075147675 805486309 /nfs/dbraw/zinc/48/63/09/805486309.db2.gz HXEVMYFMRVEFEP-SRVKXCTJSA-N 2 2 293.371 -0.274 20 0 CBADLP CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001075613463 805516143 /nfs/dbraw/zinc/51/61/43/805516143.db2.gz DSAJOPFIJXSXJM-RWMBFGLXSA-N 2 2 294.399 -0.641 20 0 CBADLP CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001075613463 805516148 /nfs/dbraw/zinc/51/61/48/805516148.db2.gz DSAJOPFIJXSXJM-RWMBFGLXSA-N 2 2 294.399 -0.641 20 0 CBADLP CNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001075613463 805516153 /nfs/dbraw/zinc/51/61/53/805516153.db2.gz DSAJOPFIJXSXJM-RWMBFGLXSA-N 2 2 294.399 -0.641 20 0 CBADLP CNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001075613463 805516157 /nfs/dbraw/zinc/51/61/57/805516157.db2.gz DSAJOPFIJXSXJM-RWMBFGLXSA-N 2 2 294.399 -0.641 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2conc2C)C1 ZINC001151739417 815091302 /nfs/dbraw/zinc/09/13/02/815091302.db2.gz MOANOEWIVYTLLX-ZDUSSCGKSA-N 2 2 296.371 -0.090 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2conc2C)C1 ZINC001151739417 815091309 /nfs/dbraw/zinc/09/13/09/815091309.db2.gz MOANOEWIVYTLLX-ZDUSSCGKSA-N 2 2 296.371 -0.090 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2nnc(C)[nH]2)C1 ZINC001151740246 815089393 /nfs/dbraw/zinc/08/93/93/815089393.db2.gz QUGWXJZQQVBESS-NSHDSACASA-N 2 2 296.375 -0.960 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2nnc(C)[nH]2)C1 ZINC001151740246 815089400 /nfs/dbraw/zinc/08/94/00/815089400.db2.gz QUGWXJZQQVBESS-NSHDSACASA-N 2 2 296.375 -0.960 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2cnns2)C1 ZINC001151739812 815089673 /nfs/dbraw/zinc/08/96/73/815089673.db2.gz NRKWKEIJWNTRMV-NSHDSACASA-N 2 2 299.400 -0.535 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2cnns2)C1 ZINC001151739812 815089684 /nfs/dbraw/zinc/08/96/84/815089684.db2.gz NRKWKEIJWNTRMV-NSHDSACASA-N 2 2 299.400 -0.535 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2conc2C)C1 ZINC001151739416 815089712 /nfs/dbraw/zinc/08/97/12/815089712.db2.gz MOANOEWIVYTLLX-CYBMUJFWSA-N 2 2 296.371 -0.090 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2conc2C)C1 ZINC001151739416 815089719 /nfs/dbraw/zinc/08/97/19/815089719.db2.gz MOANOEWIVYTLLX-CYBMUJFWSA-N 2 2 296.371 -0.090 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2cc(C)no2)C1 ZINC001151748756 815089768 /nfs/dbraw/zinc/08/97/68/815089768.db2.gz KFHYAXZOZYEEKR-ZDUSSCGKSA-N 2 2 296.371 -0.090 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2cc(C)no2)C1 ZINC001151748756 815089773 /nfs/dbraw/zinc/08/97/73/815089773.db2.gz KFHYAXZOZYEEKR-ZDUSSCGKSA-N 2 2 296.371 -0.090 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2ccon2)C1 ZINC001151739395 815090979 /nfs/dbraw/zinc/09/09/79/815090979.db2.gz LRWHMNBHKQPYFD-LBPRGKRZSA-N 2 2 282.344 -0.399 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2ccon2)C1 ZINC001151739395 815090981 /nfs/dbraw/zinc/09/09/81/815090981.db2.gz LRWHMNBHKQPYFD-LBPRGKRZSA-N 2 2 282.344 -0.399 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NCC[NH2+]Cc1cnon1 ZINC001152432586 815121048 /nfs/dbraw/zinc/12/10/48/815121048.db2.gz LSDGMXKPSKBFMW-UHFFFAOYSA-N 2 2 255.322 -0.384 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NCC[NH2+]Cc1cnon1 ZINC001152432586 815121051 /nfs/dbraw/zinc/12/10/51/815121051.db2.gz LSDGMXKPSKBFMW-UHFFFAOYSA-N 2 2 255.322 -0.384 20 0 CBADLP C[C@@H](O)C[NH2+]CCNC(=O)CCCn1cc[nH+]c1 ZINC001153344671 815159078 /nfs/dbraw/zinc/15/90/78/815159078.db2.gz GEBFBOBZVRSEGR-LLVKDONJSA-N 2 2 254.334 -0.250 20 0 CBADLP O=C(CCCn1cc[nH+]c1)NCC[NH2+][C@H]1CCCNC1=O ZINC001153344730 815159299 /nfs/dbraw/zinc/15/92/99/815159299.db2.gz JAZYBRFMKJFKCX-LBPRGKRZSA-N 2 2 293.371 -0.352 20 0 CBADLP Cn1cncc1C[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153487617 815162952 /nfs/dbraw/zinc/16/29/52/815162952.db2.gz IVYPNOYGVLGLMX-UHFFFAOYSA-N 2 2 262.317 -0.477 20 0 CBADLP O=C(C[NH2+]CCNC(=O)Cn1cc[nH+]c1)NCC1CC1 ZINC001153487755 815163406 /nfs/dbraw/zinc/16/34/06/815163406.db2.gz NEOWZCUFIDIFQI-UHFFFAOYSA-N 2 2 279.344 -0.885 20 0 CBADLP O=C(Cn1cc[nH+]c1)NCC[NH2+]CCCO[C@@H]1CCOC1 ZINC001153500314 815164672 /nfs/dbraw/zinc/16/46/72/815164672.db2.gz JRXYQQTZJZYNTI-CYBMUJFWSA-N 2 2 296.371 -0.216 20 0 CBADLP O=C(C[NH2+]CCNC(=O)Cn1cc[nH+]c1)NCC1CCC1 ZINC001153487951 815164858 /nfs/dbraw/zinc/16/48/58/815164858.db2.gz VNCRRUACKYRSBU-UHFFFAOYSA-N 2 2 293.371 -0.495 20 0 CBADLP Cn1nccc1C[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153488003 815164870 /nfs/dbraw/zinc/16/48/70/815164870.db2.gz ZKIBFYHZFWJCTP-UHFFFAOYSA-N 2 2 262.317 -0.477 20 0 CBADLP O=C(Cn1cc[nH+]c1)NCC[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001153495841 815164962 /nfs/dbraw/zinc/16/49/62/815164962.db2.gz PSSXLERRDNHTSS-GFCCVEGCSA-N 2 2 293.371 -0.495 20 0 CBADLP C[N@@H+]1CCO[C@H](CNc2cc3c(nn2)CC[NH2+]C3)C1 ZINC001155196643 815269080 /nfs/dbraw/zinc/26/90/80/815269080.db2.gz DRPSAWWLFSDMRA-LLVKDONJSA-N 2 2 263.345 -0.135 20 0 CBADLP C[N@H+]1CCO[C@H](CNc2cc3c(nn2)CC[NH2+]C3)C1 ZINC001155196643 815269084 /nfs/dbraw/zinc/26/90/84/815269084.db2.gz DRPSAWWLFSDMRA-LLVKDONJSA-N 2 2 263.345 -0.135 20 0 CBADLP O=C(N1CCC[C@H](CCO)C1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160610989 815645404 /nfs/dbraw/zinc/64/54/04/815645404.db2.gz QTXHZFWWSNDRMD-DYEKYZERSA-N 2 2 267.373 -0.441 20 0 CBADLP Cc1nc(N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)nc(N(C)C)[nH+]1 ZINC001155504692 815288873 /nfs/dbraw/zinc/28/88/73/815288873.db2.gz FCMYNQIUWUXUFK-OPRDCNLKSA-N 2 2 264.333 -0.355 20 0 CBADLP CN(C)c1cc(N[C@@]23CC[NH2+][C@H]2CC(=O)N3)nc[nH+]1 ZINC001155568941 815292233 /nfs/dbraw/zinc/29/22/33/815292233.db2.gz CEDFFXXIFZPJQD-QPUJVOFHSA-N 2 2 262.317 -0.467 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]Cc2nncs2)C1 ZINC001156152023 815340497 /nfs/dbraw/zinc/34/04/97/815340497.db2.gz AHXXFWKQQWSWGM-SNVBAGLBSA-N 2 2 299.400 -0.535 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]Cc2nncs2)C1 ZINC001156152023 815340504 /nfs/dbraw/zinc/34/05/04/815340504.db2.gz AHXXFWKQQWSWGM-SNVBAGLBSA-N 2 2 299.400 -0.535 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]Cc2nncs2)C1 ZINC001156152022 815341133 /nfs/dbraw/zinc/34/11/33/815341133.db2.gz AHXXFWKQQWSWGM-JTQLQIEISA-N 2 2 299.400 -0.535 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]Cc2nncs2)C1 ZINC001156152022 815341136 /nfs/dbraw/zinc/34/11/36/815341136.db2.gz AHXXFWKQQWSWGM-JTQLQIEISA-N 2 2 299.400 -0.535 20 0 CBADLP NC(=O)[C@H]1CCCN1c1cc(N2CC[C@H]([NH3+])C2)nc[nH+]1 ZINC001156232737 815348009 /nfs/dbraw/zinc/34/80/09/815348009.db2.gz ISPKLYQRFUUGRW-VHSXEESVSA-N 2 2 276.344 -0.532 20 0 CBADLP O=C(NC[C@H]1C[C@H]([NH2+]CCO)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001086392654 810267420 /nfs/dbraw/zinc/26/74/20/810267420.db2.gz ZJTPYPVPVYJKPA-DDHJBXDOSA-N 2 2 278.356 -0.010 20 0 CBADLP O=C(NC[C@H]1C[C@H]([NH2+]CCO)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001086392654 810267423 /nfs/dbraw/zinc/26/74/23/810267423.db2.gz ZJTPYPVPVYJKPA-DDHJBXDOSA-N 2 2 278.356 -0.010 20 0 CBADLP CC[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[N@@H+]1CCO ZINC001087797383 810308023 /nfs/dbraw/zinc/30/80/23/810308023.db2.gz LLZXABYFBHHQFN-QWHCGFSZSA-N 2 2 280.372 -0.076 20 0 CBADLP CC[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[N@H+]1CCO ZINC001087797383 810308028 /nfs/dbraw/zinc/30/80/28/810308028.db2.gz LLZXABYFBHHQFN-QWHCGFSZSA-N 2 2 280.372 -0.076 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H]1C ZINC001089038128 810375109 /nfs/dbraw/zinc/37/51/09/810375109.db2.gz FMLSKVZNNZMOLY-NEPJUHHUSA-N 2 2 282.388 -0.593 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H]1C ZINC001089038128 810375113 /nfs/dbraw/zinc/37/51/13/810375113.db2.gz FMLSKVZNNZMOLY-NEPJUHHUSA-N 2 2 282.388 -0.593 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CC[N@@H+](CC2CC2)C[C@@H]1O ZINC001090675160 810546607 /nfs/dbraw/zinc/54/66/07/810546607.db2.gz GMWPLFHUTHELCF-NEPJUHHUSA-N 2 2 278.356 -0.086 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CC[N@H+](CC2CC2)C[C@@H]1O ZINC001090675160 810546613 /nfs/dbraw/zinc/54/66/13/810546613.db2.gz GMWPLFHUTHELCF-NEPJUHHUSA-N 2 2 278.356 -0.086 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CC[N@@H+](CCCF)C[C@H]1O ZINC001090675697 810546626 /nfs/dbraw/zinc/54/66/26/810546626.db2.gz KKRYEVPBLJVZTE-GHMZBOCLSA-N 2 2 284.335 -0.137 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CC[N@H+](CCCF)C[C@H]1O ZINC001090675697 810546632 /nfs/dbraw/zinc/54/66/32/810546632.db2.gz KKRYEVPBLJVZTE-GHMZBOCLSA-N 2 2 284.335 -0.137 20 0 CBADLP CC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001090679764 810548488 /nfs/dbraw/zinc/54/84/88/810548488.db2.gz QPDZRKFEOULTTD-VHSXEESVSA-N 2 2 252.318 -0.477 20 0 CBADLP CC[N@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001090679764 810548495 /nfs/dbraw/zinc/54/84/95/810548495.db2.gz QPDZRKFEOULTTD-VHSXEESVSA-N 2 2 252.318 -0.477 20 0 CBADLP COCC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001090678670 810550143 /nfs/dbraw/zinc/55/01/43/810550143.db2.gz IPZSGLVYQDDRLI-QWRGUYRKSA-N 2 2 282.344 -0.850 20 0 CBADLP COCC[N@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001090678670 810550147 /nfs/dbraw/zinc/55/01/47/810550147.db2.gz IPZSGLVYQDDRLI-QWRGUYRKSA-N 2 2 282.344 -0.850 20 0 CBADLP CCC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001090728600 810559643 /nfs/dbraw/zinc/55/96/43/810559643.db2.gz VJVPPOIWJFYZGD-STQMWFEESA-N 2 2 280.372 -0.076 20 0 CBADLP CCC[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001090728600 810559647 /nfs/dbraw/zinc/55/96/47/810559647.db2.gz VJVPPOIWJFYZGD-STQMWFEESA-N 2 2 280.372 -0.076 20 0 CBADLP CC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H](O)C1 ZINC001090763159 810562415 /nfs/dbraw/zinc/56/24/15/810562415.db2.gz DYVYASWMTLHORU-ZYHUDNBSSA-N 2 2 266.345 -0.168 20 0 CBADLP CC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H](O)C1 ZINC001090763159 810562421 /nfs/dbraw/zinc/56/24/21/810562421.db2.gz DYVYASWMTLHORU-ZYHUDNBSSA-N 2 2 266.345 -0.168 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](CCF)C[C@H]1O ZINC001090810368 810570168 /nfs/dbraw/zinc/57/01/68/810570168.db2.gz XFZKNXMFKYYCQL-NWDGAFQWSA-N 2 2 284.335 -0.288 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](CCF)C[C@H]1O ZINC001090810368 810570176 /nfs/dbraw/zinc/57/01/76/810570176.db2.gz XFZKNXMFKYYCQL-NWDGAFQWSA-N 2 2 284.335 -0.288 20 0 CBADLP O=C(NCC1CC([NH2+]CCO)C1)[C@H]1CCc2[nH+]ccn2C1 ZINC001091106832 810594212 /nfs/dbraw/zinc/59/42/12/810594212.db2.gz WCAAVFHHNOUYCN-CPCZMJQVSA-N 2 2 292.383 -0.078 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]2C[N@H+](CCO)C[C@@]2(C)C1 ZINC001092199263 810625690 /nfs/dbraw/zinc/62/56/90/810625690.db2.gz IFAMDVUJMXGQNR-DOMZBBRYSA-N 2 2 292.383 -0.265 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]2C[N@@H+](CCO)C[C@@]2(C)C1 ZINC001092199263 810625694 /nfs/dbraw/zinc/62/56/94/810625694.db2.gz IFAMDVUJMXGQNR-DOMZBBRYSA-N 2 2 292.383 -0.265 20 0 CBADLP C[NH2+]CCNc1cc(N2CCC[C@H]2C(N)=O)[nH+]cn1 ZINC001156897599 815388729 /nfs/dbraw/zinc/38/87/29/815388729.db2.gz SXVBEKZZZUFTNW-VIFPVBQESA-N 2 2 264.333 -0.438 20 0 CBADLP Cn1ncc2c1nc[nH+]c2NCCNC(=O)CC[NH+](C)C ZINC001094089472 810698341 /nfs/dbraw/zinc/69/83/41/810698341.db2.gz YQCZAFBFXDSNSN-UHFFFAOYSA-N 2 2 291.359 -0.157 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCCO)C1 ZINC001095267527 810744972 /nfs/dbraw/zinc/74/49/72/810744972.db2.gz DHNJGUXDUWOFEH-RFGFWPKPSA-N 2 2 297.399 -0.579 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCCO)C1 ZINC001095267527 810744978 /nfs/dbraw/zinc/74/49/78/810744978.db2.gz DHNJGUXDUWOFEH-RFGFWPKPSA-N 2 2 297.399 -0.579 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCO)C1 ZINC001095267527 810744981 /nfs/dbraw/zinc/74/49/81/810744981.db2.gz DHNJGUXDUWOFEH-RFGFWPKPSA-N 2 2 297.399 -0.579 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCO)C1 ZINC001095267527 810744985 /nfs/dbraw/zinc/74/49/85/810744985.db2.gz DHNJGUXDUWOFEH-RFGFWPKPSA-N 2 2 297.399 -0.579 20 0 CBADLP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(N)=O ZINC001096012710 810766578 /nfs/dbraw/zinc/76/65/78/810766578.db2.gz WNEPKDRVTUYDIP-RNJOBUHISA-N 2 2 294.399 -0.323 20 0 CBADLP C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(N)=O ZINC001096012710 810766585 /nfs/dbraw/zinc/76/65/85/810766585.db2.gz WNEPKDRVTUYDIP-RNJOBUHISA-N 2 2 294.399 -0.323 20 0 CBADLP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001096012710 810766591 /nfs/dbraw/zinc/76/65/91/810766591.db2.gz WNEPKDRVTUYDIP-RNJOBUHISA-N 2 2 294.399 -0.323 20 0 CBADLP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001096012710 810766597 /nfs/dbraw/zinc/76/65/97/810766597.db2.gz WNEPKDRVTUYDIP-RNJOBUHISA-N 2 2 294.399 -0.323 20 0 CBADLP [NH3+]CCc1nnn(-c2cc(-n3cc[nH+]c3)ccn2)n1 ZINC001156990064 815396452 /nfs/dbraw/zinc/39/64/52/815396452.db2.gz SSRNAGYHLTYBGD-UHFFFAOYSA-N 2 2 256.273 -0.256 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCO ZINC001096434837 810777890 /nfs/dbraw/zinc/77/78/90/810777890.db2.gz KZQOJZJSKNRSFC-WXHSDQCUSA-N 2 2 278.356 -0.026 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO ZINC001096434837 810777897 /nfs/dbraw/zinc/77/78/97/810777897.db2.gz KZQOJZJSKNRSFC-WXHSDQCUSA-N 2 2 278.356 -0.026 20 0 CBADLP CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001096538222 810781411 /nfs/dbraw/zinc/78/14/11/810781411.db2.gz BDWDHYVZUPKTMX-RNJOBUHISA-N 2 2 294.399 -0.594 20 0 CBADLP CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001096538222 810781419 /nfs/dbraw/zinc/78/14/19/810781419.db2.gz BDWDHYVZUPKTMX-RNJOBUHISA-N 2 2 294.399 -0.594 20 0 CBADLP CNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001096538222 810781424 /nfs/dbraw/zinc/78/14/24/810781424.db2.gz BDWDHYVZUPKTMX-RNJOBUHISA-N 2 2 294.399 -0.594 20 0 CBADLP CNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001096538222 810781428 /nfs/dbraw/zinc/78/14/28/810781428.db2.gz BDWDHYVZUPKTMX-RNJOBUHISA-N 2 2 294.399 -0.594 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCO)C1 ZINC001096914533 810789600 /nfs/dbraw/zinc/78/96/00/810789600.db2.gz XNLHWTKHQLBUOZ-NDBYEHHHSA-N 2 2 283.372 -0.969 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCO)C1 ZINC001096914533 810789605 /nfs/dbraw/zinc/78/96/05/810789605.db2.gz XNLHWTKHQLBUOZ-NDBYEHHHSA-N 2 2 283.372 -0.969 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCO)C1 ZINC001096914533 810789609 /nfs/dbraw/zinc/78/96/09/810789609.db2.gz XNLHWTKHQLBUOZ-NDBYEHHHSA-N 2 2 283.372 -0.969 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCO)C1 ZINC001096914533 810789615 /nfs/dbraw/zinc/78/96/15/810789615.db2.gz XNLHWTKHQLBUOZ-NDBYEHHHSA-N 2 2 283.372 -0.969 20 0 CBADLP COCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+](C)CCO1)C2 ZINC001096914565 810789904 /nfs/dbraw/zinc/78/99/04/810789904.db2.gz YVFJWWYYKXVHIF-YIYPIFLZSA-N 2 2 297.399 -0.315 20 0 CBADLP COCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C2 ZINC001096914565 810789925 /nfs/dbraw/zinc/78/99/25/810789925.db2.gz YVFJWWYYKXVHIF-YIYPIFLZSA-N 2 2 297.399 -0.315 20 0 CBADLP COCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C2 ZINC001096914565 810789936 /nfs/dbraw/zinc/78/99/36/810789936.db2.gz YVFJWWYYKXVHIF-YIYPIFLZSA-N 2 2 297.399 -0.315 20 0 CBADLP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(N)=O)C1 ZINC001098219658 810836049 /nfs/dbraw/zinc/83/60/49/810836049.db2.gz OJJUQXRZIXKFFJ-LOWDOPEQSA-N 2 2 294.399 -0.465 20 0 CBADLP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(N)=O)C1 ZINC001098219658 810836055 /nfs/dbraw/zinc/83/60/55/810836055.db2.gz OJJUQXRZIXKFFJ-LOWDOPEQSA-N 2 2 294.399 -0.465 20 0 CBADLP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(N)=O)C1 ZINC001098219658 810836064 /nfs/dbraw/zinc/83/60/64/810836064.db2.gz OJJUQXRZIXKFFJ-LOWDOPEQSA-N 2 2 294.399 -0.465 20 0 CBADLP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(N)=O)C1 ZINC001098219658 810836071 /nfs/dbraw/zinc/83/60/71/810836071.db2.gz OJJUQXRZIXKFFJ-LOWDOPEQSA-N 2 2 294.399 -0.465 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001098400693 810844324 /nfs/dbraw/zinc/84/43/24/810844324.db2.gz JNBNTGHKGQHINU-LPWJVIDDSA-N 2 2 294.399 -0.323 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001098400693 810844331 /nfs/dbraw/zinc/84/43/31/810844331.db2.gz JNBNTGHKGQHINU-LPWJVIDDSA-N 2 2 294.399 -0.323 20 0 CBADLP CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001098400405 810844640 /nfs/dbraw/zinc/84/46/40/810844640.db2.gz BHMVHDRPBMVQGN-UPJWGTAASA-N 2 2 294.399 -0.450 20 0 CBADLP CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001098400405 810844648 /nfs/dbraw/zinc/84/46/48/810844648.db2.gz BHMVHDRPBMVQGN-UPJWGTAASA-N 2 2 294.399 -0.450 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CCO)C3)C1 ZINC001098773927 810857972 /nfs/dbraw/zinc/85/79/72/810857972.db2.gz RCZRFWNBFBPGTP-YDHLFZDLSA-N 2 2 297.399 -0.720 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CCO)C3)C1 ZINC001098773927 810857973 /nfs/dbraw/zinc/85/79/73/810857973.db2.gz RCZRFWNBFBPGTP-YDHLFZDLSA-N 2 2 297.399 -0.720 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](CCO)C3)C1 ZINC001098773927 810857983 /nfs/dbraw/zinc/85/79/83/810857983.db2.gz RCZRFWNBFBPGTP-YDHLFZDLSA-N 2 2 297.399 -0.720 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](CCO)C3)C1 ZINC001098773927 810857992 /nfs/dbraw/zinc/85/79/92/810857992.db2.gz RCZRFWNBFBPGTP-YDHLFZDLSA-N 2 2 297.399 -0.720 20 0 CBADLP O=C(CCc1[nH]cc[nH+]1)N[C@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001099810031 810944677 /nfs/dbraw/zinc/94/46/77/810944677.db2.gz NZVCFCKEGRJERP-NWDGAFQWSA-N 2 2 296.371 -0.724 20 0 CBADLP O=C(CCc1[nH]cc[nH+]1)N[C@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001099810031 810944681 /nfs/dbraw/zinc/94/46/81/810944681.db2.gz NZVCFCKEGRJERP-NWDGAFQWSA-N 2 2 296.371 -0.724 20 0 CBADLP COCC[N@@H+]1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001099804319 810945263 /nfs/dbraw/zinc/94/52/63/810945263.db2.gz LPBXBSSDDMBWBV-VXGBXAGGSA-N 2 2 296.371 -0.460 20 0 CBADLP COCC[N@H+]1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001099804319 810945268 /nfs/dbraw/zinc/94/52/68/810945268.db2.gz LPBXBSSDDMBWBV-VXGBXAGGSA-N 2 2 296.371 -0.460 20 0 CBADLP CC[N@@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)[C@H](O)C1 ZINC001099940572 810972751 /nfs/dbraw/zinc/97/27/51/810972751.db2.gz YATLSNKOSPVLST-VXGBXAGGSA-N 2 2 266.345 -0.156 20 0 CBADLP CC[N@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)[C@H](O)C1 ZINC001099940572 810972757 /nfs/dbraw/zinc/97/27/57/810972757.db2.gz YATLSNKOSPVLST-VXGBXAGGSA-N 2 2 266.345 -0.156 20 0 CBADLP COCCC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001100048494 811003765 /nfs/dbraw/zinc/00/37/65/811003765.db2.gz MQNWFKCHVFLNAH-RYUDHWBXSA-N 2 2 296.371 -0.460 20 0 CBADLP COCCC[N@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001100048494 811003772 /nfs/dbraw/zinc/00/37/72/811003772.db2.gz MQNWFKCHVFLNAH-RYUDHWBXSA-N 2 2 296.371 -0.460 20 0 CBADLP CC[NH+](CC)CC(=O)N[C@H]1CC[N@H+](CCF)C[C@H]1O ZINC001100047913 811004935 /nfs/dbraw/zinc/00/49/35/811004935.db2.gz CGAIPLSCHCUJTO-NWDGAFQWSA-N 2 2 275.368 -0.151 20 0 CBADLP CC[NH+](CC)CC(=O)N[C@H]1CC[N@@H+](CCF)C[C@H]1O ZINC001100047913 811004941 /nfs/dbraw/zinc/00/49/41/811004941.db2.gz CGAIPLSCHCUJTO-NWDGAFQWSA-N 2 2 275.368 -0.151 20 0 CBADLP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CCF)C[C@H]1O ZINC001100083829 811018796 /nfs/dbraw/zinc/01/87/96/811018796.db2.gz WFZAQBFDQFISHB-NWDGAFQWSA-N 2 2 275.368 -0.151 20 0 CBADLP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CCF)C[C@H]1O ZINC001100083829 811018805 /nfs/dbraw/zinc/01/88/05/811018805.db2.gz WFZAQBFDQFISHB-NWDGAFQWSA-N 2 2 275.368 -0.151 20 0 CBADLP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](CCF)C[C@H]1O ZINC001100083829 811018809 /nfs/dbraw/zinc/01/88/09/811018809.db2.gz WFZAQBFDQFISHB-NWDGAFQWSA-N 2 2 275.368 -0.151 20 0 CBADLP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CCF)C[C@H]1O ZINC001100083829 811018818 /nfs/dbraw/zinc/01/88/18/811018818.db2.gz WFZAQBFDQFISHB-NWDGAFQWSA-N 2 2 275.368 -0.151 20 0 CBADLP CCOCC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001100137254 811027366 /nfs/dbraw/zinc/02/73/66/811027366.db2.gz YGQPVOQORDPYRQ-STQMWFEESA-N 2 2 296.371 -0.529 20 0 CBADLP CCOCC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001100137254 811027373 /nfs/dbraw/zinc/02/73/73/811027373.db2.gz YGQPVOQORDPYRQ-STQMWFEESA-N 2 2 296.371 -0.529 20 0 CBADLP O=C(CCc1[nH]cc[nH+]1)NCCC[NH2+]CC(=O)NC1CC1 ZINC001157256969 815416087 /nfs/dbraw/zinc/41/60/87/815416087.db2.gz MVFZBUXBDDNGMY-UHFFFAOYSA-N 2 2 293.371 -0.283 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NCC1CC([NH2+][C@H]2CCNC2=O)C1 ZINC001100706548 811074669 /nfs/dbraw/zinc/07/46/69/811074669.db2.gz MINIGLVNTTUGAJ-CBINBANVSA-N 2 2 291.355 -0.675 20 0 CBADLP COC[C@@H](O)C[NH2+]C1CC(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001100789537 811080548 /nfs/dbraw/zinc/08/05/48/811080548.db2.gz DHKILIMESYBSEN-MCIGGMRASA-N 2 2 296.371 -0.556 20 0 CBADLP C[C@H]([NH2+]C1CC(CNC(=O)Cc2c[nH+]cn2C)C1)C(N)=O ZINC001100871219 811083361 /nfs/dbraw/zinc/08/33/61/811083361.db2.gz HZIFUPVWBGIDEX-WHXUTIOJSA-N 2 2 293.371 -0.679 20 0 CBADLP CNC(=O)C[NH2+]C1CC(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001100871234 811083438 /nfs/dbraw/zinc/08/34/38/811083438.db2.gz IMJFMTYEDIDOAN-UHFFFAOYSA-N 2 2 293.371 -0.807 20 0 CBADLP CCOC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@]1(C)CC[NH2+]C1 ZINC001157302903 815421121 /nfs/dbraw/zinc/42/11/21/815421121.db2.gz BICPFYXROYZUDA-SMDDNHRTSA-N 2 2 294.355 0.000 20 0 CBADLP CCOC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@]1(C)CC[NH2+]C1 ZINC001157302903 815421123 /nfs/dbraw/zinc/42/11/23/815421123.db2.gz BICPFYXROYZUDA-SMDDNHRTSA-N 2 2 294.355 0.000 20 0 CBADLP C[C@@H]1C[N@H+](CCO)C[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001102206183 811149194 /nfs/dbraw/zinc/14/91/94/811149194.db2.gz QVLGEQJZDMBCMS-CHWSQXEVSA-N 2 2 280.372 -0.050 20 0 CBADLP C[C@@H]1C[N@@H+](CCO)C[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001102206183 811149198 /nfs/dbraw/zinc/14/91/98/811149198.db2.gz QVLGEQJZDMBCMS-CHWSQXEVSA-N 2 2 280.372 -0.050 20 0 CBADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1CC[NH2+]CC(N)=O ZINC001105101842 811213819 /nfs/dbraw/zinc/21/38/19/811213819.db2.gz JNPZUNUWTXFVEX-VXGBXAGGSA-N 2 2 293.371 -0.557 20 0 CBADLP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)NCCc1[nH+]ccn1C ZINC001157424709 815433054 /nfs/dbraw/zinc/43/30/54/815433054.db2.gz XMINJVUGVXEDQO-NSHDSACASA-N 2 2 295.387 -0.432 20 0 CBADLP COC(=O)[C@@H]([NH3+])CCC(=O)N(C(N)=[NH2+])c1cc(C)[nH]n1 ZINC001157440102 815433692 /nfs/dbraw/zinc/43/36/92/815433692.db2.gz SSMJYMQRXMVQCP-ZETCQYMHSA-N 2 2 282.304 -0.775 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001106799119 811317125 /nfs/dbraw/zinc/31/71/25/811317125.db2.gz BWMQUUJZFDFCRS-GHMZBOCLSA-N 2 2 293.371 -0.618 20 0 CBADLP CN(CC(F)(F)F)C(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001157519288 815441402 /nfs/dbraw/zinc/44/14/02/815441402.db2.gz MNKCCFORGMDNKM-APPZFPTMSA-N 2 2 251.252 -0.041 20 0 CBADLP COCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001107816963 811374292 /nfs/dbraw/zinc/37/42/92/811374292.db2.gz KXVUWIJEPXXABR-DZGCQCFKSA-N 2 2 299.415 -0.066 20 0 CBADLP COCC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001107816963 811374299 /nfs/dbraw/zinc/37/42/99/811374299.db2.gz KXVUWIJEPXXABR-DZGCQCFKSA-N 2 2 299.415 -0.066 20 0 CBADLP COCC[NH+]1CCO[C@](C)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001107816963 811374309 /nfs/dbraw/zinc/37/43/09/811374309.db2.gz KXVUWIJEPXXABR-DZGCQCFKSA-N 2 2 299.415 -0.066 20 0 CBADLP COCC[NH+]1CCO[C@](C)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001107816963 811374317 /nfs/dbraw/zinc/37/43/17/811374317.db2.gz KXVUWIJEPXXABR-DZGCQCFKSA-N 2 2 299.415 -0.066 20 0 CBADLP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@]1(C)C[NH+](CCO)CCO1 ZINC001108023723 811403890 /nfs/dbraw/zinc/40/38/90/811403890.db2.gz FKUQZEMFCCNUQK-HIFRSBDPSA-N 2 2 299.415 -0.330 20 0 CBADLP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@]1(C)C[NH+](CCO)CCO1 ZINC001108023723 811403894 /nfs/dbraw/zinc/40/38/94/811403894.db2.gz FKUQZEMFCCNUQK-HIFRSBDPSA-N 2 2 299.415 -0.330 20 0 CBADLP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@]1(C)C[N@H+](CCO)CCO1 ZINC001108023723 811403899 /nfs/dbraw/zinc/40/38/99/811403899.db2.gz FKUQZEMFCCNUQK-HIFRSBDPSA-N 2 2 299.415 -0.330 20 0 CBADLP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@]1(C)C[N@@H+](CCO)CCO1 ZINC001108023723 811403901 /nfs/dbraw/zinc/40/39/01/811403901.db2.gz FKUQZEMFCCNUQK-HIFRSBDPSA-N 2 2 299.415 -0.330 20 0 CBADLP C[C@@H]1CC[N@H+](CC(=O)NC[C@]2(C)C[NH+](CCO)CCO2)C1 ZINC001108216307 811425366 /nfs/dbraw/zinc/42/53/66/811425366.db2.gz WGQWKPADTZFPII-UKRRQHHQSA-N 2 2 299.415 -0.472 20 0 CBADLP C[C@@H]1CC[N@@H+](CC(=O)NC[C@]2(C)C[NH+](CCO)CCO2)C1 ZINC001108216307 811425371 /nfs/dbraw/zinc/42/53/71/811425371.db2.gz WGQWKPADTZFPII-UKRRQHHQSA-N 2 2 299.415 -0.472 20 0 CBADLP C[C@@H]1CC[NH+](CC(=O)NC[C@]2(C)C[N@H+](CCO)CCO2)C1 ZINC001108216307 811425376 /nfs/dbraw/zinc/42/53/76/811425376.db2.gz WGQWKPADTZFPII-UKRRQHHQSA-N 2 2 299.415 -0.472 20 0 CBADLP C[C@@H]1CC[NH+](CC(=O)NC[C@]2(C)C[N@@H+](CCO)CCO2)C1 ZINC001108216307 811425380 /nfs/dbraw/zinc/42/53/80/811425380.db2.gz WGQWKPADTZFPII-UKRRQHHQSA-N 2 2 299.415 -0.472 20 0 CBADLP C[C@@H]1CC[N@H+](CC(=O)NC[C@@]2(C)C[NH+](CCO)CCO2)C1 ZINC001108216306 811425691 /nfs/dbraw/zinc/42/56/91/811425691.db2.gz WGQWKPADTZFPII-HIFRSBDPSA-N 2 2 299.415 -0.472 20 0 CBADLP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@]2(C)C[NH+](CCO)CCO2)C1 ZINC001108216306 811425695 /nfs/dbraw/zinc/42/56/95/811425695.db2.gz WGQWKPADTZFPII-HIFRSBDPSA-N 2 2 299.415 -0.472 20 0 CBADLP C[C@@H]1CC[NH+](CC(=O)NC[C@@]2(C)C[N@H+](CCO)CCO2)C1 ZINC001108216306 811425698 /nfs/dbraw/zinc/42/56/98/811425698.db2.gz WGQWKPADTZFPII-HIFRSBDPSA-N 2 2 299.415 -0.472 20 0 CBADLP C[C@@H]1CC[NH+](CC(=O)NC[C@@]2(C)C[N@@H+](CCO)CCO2)C1 ZINC001108216306 811425701 /nfs/dbraw/zinc/42/57/01/811425701.db2.gz WGQWKPADTZFPII-HIFRSBDPSA-N 2 2 299.415 -0.472 20 0 CBADLP C[C@@H](O)C[N@@H+]1CCO[C@@](C)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001108399494 811445715 /nfs/dbraw/zinc/44/57/15/811445715.db2.gz QLARFOWAUKPDDB-HIFRSBDPSA-N 2 2 299.415 -0.330 20 0 CBADLP C[C@@H](O)C[N@H+]1CCO[C@@](C)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001108399494 811445717 /nfs/dbraw/zinc/44/57/17/811445717.db2.gz QLARFOWAUKPDDB-HIFRSBDPSA-N 2 2 299.415 -0.330 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC[C@]1(C)C[N@H+](CCO)CCO1 ZINC001108401612 811446709 /nfs/dbraw/zinc/44/67/09/811446709.db2.gz SJFWOUHOSODXPT-CQSZACIVSA-N 2 2 296.371 -0.609 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC[C@]1(C)C[N@@H+](CCO)CCO1 ZINC001108401612 811446710 /nfs/dbraw/zinc/44/67/10/811446710.db2.gz SJFWOUHOSODXPT-CQSZACIVSA-N 2 2 296.371 -0.609 20 0 CBADLP C[C@@H](O)C[N@@H+]1CCO[C@@](C)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001108439416 811446736 /nfs/dbraw/zinc/44/67/36/811446736.db2.gz JSWBIXLLAYCIOM-OCCSQVGLSA-N 2 2 296.371 -0.529 20 0 CBADLP C[C@@H](O)C[N@H+]1CCO[C@@](C)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001108439416 811446737 /nfs/dbraw/zinc/44/67/37/811446737.db2.gz JSWBIXLLAYCIOM-OCCSQVGLSA-N 2 2 296.371 -0.529 20 0 CBADLP COC(=O)[C@H]1C[C@H](C(=O)N2CC(C)([NH3+])C2)CC[NH2+]1 ZINC001157644693 815450605 /nfs/dbraw/zinc/45/06/05/815450605.db2.gz VSZXOARXVOQLSF-RKDXNWHRSA-N 2 2 255.318 -0.913 20 0 CBADLP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(N)=O ZINC001109465978 811495460 /nfs/dbraw/zinc/49/54/60/811495460.db2.gz CTACHKPVDLWGGQ-WOPDTQHZSA-N 2 2 296.415 -0.077 20 0 CBADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(N)=O ZINC001109465978 811495463 /nfs/dbraw/zinc/49/54/63/811495463.db2.gz CTACHKPVDLWGGQ-WOPDTQHZSA-N 2 2 296.415 -0.077 20 0 CBADLP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001109465978 811495468 /nfs/dbraw/zinc/49/54/68/811495468.db2.gz CTACHKPVDLWGGQ-WOPDTQHZSA-N 2 2 296.415 -0.077 20 0 CBADLP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001109465978 811495472 /nfs/dbraw/zinc/49/54/72/811495472.db2.gz CTACHKPVDLWGGQ-WOPDTQHZSA-N 2 2 296.415 -0.077 20 0 CBADLP C[C@H]1CN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)CCCO1 ZINC001157703314 815454683 /nfs/dbraw/zinc/45/46/83/815454683.db2.gz MVQDKLWGSSXFRW-FIQHERPVSA-N 2 2 253.346 -0.426 20 0 CBADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCO ZINC001110877342 811534772 /nfs/dbraw/zinc/53/47/72/811534772.db2.gz NGAIVUAWVPRJMD-UPJWGTAASA-N 2 2 278.356 -0.013 20 0 CBADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO ZINC001110877342 811534774 /nfs/dbraw/zinc/53/47/74/811534774.db2.gz NGAIVUAWVPRJMD-UPJWGTAASA-N 2 2 278.356 -0.013 20 0 CBADLP CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC(C)([NH3+])C1 ZINC001157628258 815449743 /nfs/dbraw/zinc/44/97/43/815449743.db2.gz DCJCJZGHWYNSBR-SNVBAGLBSA-N 2 2 265.317 -0.984 20 0 CBADLP CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC(C)([NH3+])C1 ZINC001157628258 815449746 /nfs/dbraw/zinc/44/97/46/815449746.db2.gz DCJCJZGHWYNSBR-SNVBAGLBSA-N 2 2 265.317 -0.984 20 0 CBADLP COC(=O)[C@]1(F)CCN(C(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)C1 ZINC001157717202 815456857 /nfs/dbraw/zinc/45/68/57/815456857.db2.gz YPTMGEKLYRBDQQ-CABZTGNLSA-N 2 2 284.291 -0.607 20 0 CBADLP O=C(N1C[C@H](F)C[C@H](CO)C1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001157730108 815457839 /nfs/dbraw/zinc/45/78/39/815457839.db2.gz JZDKLMMDRMPKQZ-KQXIARHKSA-N 2 2 271.336 -0.883 20 0 CBADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC(F)(F)CC[C@H]1CO ZINC001157730399 815458220 /nfs/dbraw/zinc/45/82/20/815458220.db2.gz KLFRKINBQRGADP-VHSXEESVSA-N 2 2 288.298 -0.102 20 0 CBADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC(F)(F)CC[C@H]1CO ZINC001157730398 815458345 /nfs/dbraw/zinc/45/83/45/815458345.db2.gz KLFRKINBQRGADP-UWVGGRQHSA-N 2 2 288.298 -0.102 20 0 CBADLP COCCC[NH+]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001112739508 811592160 /nfs/dbraw/zinc/59/21/60/811592160.db2.gz ATFFYTZMSVMXJT-CYBMUJFWSA-N 2 2 285.388 -0.502 20 0 CBADLP COCCC[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001112739508 811592165 /nfs/dbraw/zinc/59/21/65/811592165.db2.gz ATFFYTZMSVMXJT-CYBMUJFWSA-N 2 2 285.388 -0.502 20 0 CBADLP O=C(N1CC(F)(F)CC[C@@H]1CO)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001157730928 815459780 /nfs/dbraw/zinc/45/97/80/815459780.db2.gz UPCQETRQSJYXHI-CWSCBRNRSA-N 2 2 289.326 -0.444 20 0 CBADLP COC[C@H](O)C[NH+]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001112964849 811613887 /nfs/dbraw/zinc/61/38/87/811613887.db2.gz AVINUYQHIQJZJA-KGLIPLIRSA-N 2 2 299.415 -0.522 20 0 CBADLP C[NH+](C)CCCC(=O)N1CC[NH+](CCOCCO)CC1 ZINC001113275253 811628728 /nfs/dbraw/zinc/62/87/28/811628728.db2.gz GYFYVTJRTTYPCP-UHFFFAOYSA-N 2 2 287.404 -0.519 20 0 CBADLP C[NH+](C)CCC(=O)N1CC[NH+](CCN2CCNC2=O)CC1 ZINC001113300347 811630396 /nfs/dbraw/zinc/63/03/96/811630396.db2.gz RTXYFHHAAMOLCQ-UHFFFAOYSA-N 2 2 297.403 -0.893 20 0 CBADLP COCCOCC[NH+]1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001113300500 811630824 /nfs/dbraw/zinc/63/08/24/811630824.db2.gz YMHRWYRXORTZBC-UHFFFAOYSA-N 2 2 287.404 -0.255 20 0 CBADLP COC[C@@H](O)C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001113344274 811633455 /nfs/dbraw/zinc/63/34/55/811633455.db2.gz RAUVIKICSXXQHU-KGLIPLIRSA-N 2 2 299.415 -0.378 20 0 CBADLP COC[C@@H](O)C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001113344274 811633461 /nfs/dbraw/zinc/63/34/61/811633461.db2.gz RAUVIKICSXXQHU-KGLIPLIRSA-N 2 2 299.415 -0.378 20 0 CBADLP COC(=O)[C@H]1C[N@H+](C)CCN1c1cc(C[NH3+])ncn1 ZINC001157771117 815464907 /nfs/dbraw/zinc/46/49/07/815464907.db2.gz YHCLPZCAADACNU-SNVBAGLBSA-N 2 2 265.317 -0.771 20 0 CBADLP COC(=O)[C@H]1C[N@@H+](C)CCN1c1cc(C[NH3+])ncn1 ZINC001157771117 815464911 /nfs/dbraw/zinc/46/49/11/815464911.db2.gz YHCLPZCAADACNU-SNVBAGLBSA-N 2 2 265.317 -0.771 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](CCCOC)CC2)C1 ZINC001113658198 811653270 /nfs/dbraw/zinc/65/32/70/811653270.db2.gz KOGSCWSTKBLDLA-CQSZACIVSA-N 2 2 299.415 -0.112 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](CCCOC)CC2)C1 ZINC001113658198 811653273 /nfs/dbraw/zinc/65/32/73/811653273.db2.gz KOGSCWSTKBLDLA-CQSZACIVSA-N 2 2 299.415 -0.112 20 0 CBADLP C[C@H]1[C@H](C[NH3+])CCCN1C(=O)C1([NH3+])CC[NH2+]CC1 ZINC001157843063 815470546 /nfs/dbraw/zinc/47/05/46/815470546.db2.gz OTCXNMZAUKEZBH-QWRGUYRKSA-N 3 2 254.378 -0.347 20 0 CBADLP C[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1[nH]cc[nH+]1 ZINC001114206312 811731744 /nfs/dbraw/zinc/73/17/44/811731744.db2.gz IWAJXQWRXXCFDC-PUHVVEEASA-N 2 2 278.356 -0.231 20 0 CBADLP C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1[nH]cc[nH+]1 ZINC001114206312 811731749 /nfs/dbraw/zinc/73/17/49/811731749.db2.gz IWAJXQWRXXCFDC-PUHVVEEASA-N 2 2 278.356 -0.231 20 0 CBADLP C[C@H]1C[C@@H](CO)N(C(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)C1 ZINC001157853757 815472433 /nfs/dbraw/zinc/47/24/33/815472433.db2.gz NITVSAQHDYHTBX-SRRSOLGSSA-N 2 2 253.346 -0.833 20 0 CBADLP C[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1[nH+]ccn1C ZINC001114606946 811756480 /nfs/dbraw/zinc/75/64/80/811756480.db2.gz KDSITJYUHIIUAH-FJJYHAOUSA-N 2 2 292.383 -0.220 20 0 CBADLP C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1[nH+]ccn1C ZINC001114606946 811756485 /nfs/dbraw/zinc/75/64/85/811756485.db2.gz KDSITJYUHIIUAH-FJJYHAOUSA-N 2 2 292.383 -0.220 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC001114608011 811756819 /nfs/dbraw/zinc/75/68/19/811756819.db2.gz RQQKVMHJHGPZEF-JYAVWHMHSA-N 2 2 292.383 -0.219 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC001114608011 811756825 /nfs/dbraw/zinc/75/68/25/811756825.db2.gz RQQKVMHJHGPZEF-JYAVWHMHSA-N 2 2 292.383 -0.219 20 0 CBADLP C[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cc[nH+]c1 ZINC001114653063 811758793 /nfs/dbraw/zinc/75/87/93/811758793.db2.gz YDFJZNBKVYIGGR-CIQGVGRVSA-N 2 2 278.356 -0.300 20 0 CBADLP C[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cc[nH+]c1 ZINC001114653063 811758797 /nfs/dbraw/zinc/75/87/97/811758797.db2.gz YDFJZNBKVYIGGR-CIQGVGRVSA-N 2 2 278.356 -0.300 20 0 CBADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](O)[C@H](F)C1 ZINC001157854628 815473477 /nfs/dbraw/zinc/47/34/77/815473477.db2.gz GIAWLGWERJJARV-OPRDCNLKSA-N 2 2 256.281 -0.789 20 0 CBADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1C[C@@H](CO)CC(F)(F)C1 ZINC001157900418 815478154 /nfs/dbraw/zinc/47/81/54/815478154.db2.gz IUHJSFOXFVYMJO-XWLWVQCSSA-N 2 2 289.326 -0.588 20 0 CBADLP C[C@@]1(O)CCN(C(=O)C2([NH3+])CC[NH2+]CC2)C[C@@H]1F ZINC001157901427 815478705 /nfs/dbraw/zinc/47/87/05/815478705.db2.gz ZXTGUUTXIYVXLJ-GXSJLCMTSA-N 2 2 259.325 -0.611 20 0 CBADLP C[C@]1(CO)CCCN(C(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)CC1 ZINC001157901256 815478732 /nfs/dbraw/zinc/47/87/32/815478732.db2.gz YINJHPCGIJFUIP-QEJZJMRPSA-N 2 2 281.400 -0.051 20 0 CBADLP C[NH+]1CCN(C(=[NH2+])Nc2ncnc3c2CC[NH2+]C3)CC1 ZINC001157915426 815481993 /nfs/dbraw/zinc/48/19/93/815481993.db2.gz WLRDXNJMBDUFBT-UHFFFAOYSA-N 3 2 275.360 -0.284 20 0 CBADLP COC(=O)c1cc(NC(=[NH2+])N2CC[NH+](C)CC2)ncn1 ZINC001157915419 815482205 /nfs/dbraw/zinc/48/22/05/815482205.db2.gz WCOBLGONYCRKSE-UHFFFAOYSA-N 2 2 278.316 -0.143 20 0 CBADLP COC[C@@H]1CCCCN1C(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001157922558 815483030 /nfs/dbraw/zinc/48/30/30/815483030.db2.gz RBVJCYWTJBDUDD-DYEKYZERSA-N 2 2 267.373 -0.035 20 0 CBADLP COC[C@@H]1CCCCN1C(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001157922559 815483273 /nfs/dbraw/zinc/48/32/73/815483273.db2.gz RBVJCYWTJBDUDD-MBNYWOFBSA-N 2 2 267.373 -0.035 20 0 CBADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CCC[C@](F)(CO)CC1 ZINC001157934472 815487723 /nfs/dbraw/zinc/48/77/23/815487723.db2.gz KIPIURWOILBPQB-CIQGVGRVSA-N 2 2 285.363 -0.351 20 0 CBADLP [NH3+]CC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC001157971473 815492643 /nfs/dbraw/zinc/49/26/43/815492643.db2.gz YVFLFPKSDRIGIZ-STQMWFEESA-N 3 2 262.357 -0.164 20 0 CBADLP Cc1cnc(-n2[nH]c(=O)nc2C[NH3+])nc1C1C[NH2+]C1 ZINC001157940242 815489777 /nfs/dbraw/zinc/48/97/77/815489777.db2.gz HQJMUWBAYMMWCO-UHFFFAOYSA-N 2 2 261.289 -0.783 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1C[C@@H](F)CC[NH2+]1 ZINC001157999240 815496540 /nfs/dbraw/zinc/49/65/40/815496540.db2.gz PFCCFGOQJSXXDJ-DCAQKATOSA-N 2 2 287.335 -0.560 20 0 CBADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@H]1[NH2+]C[C@H]2[C@@H]1C2(C)C ZINC001158007826 815498538 /nfs/dbraw/zinc/49/85/38/815498538.db2.gz WJEFBKCBZBWZLD-USZNOCQGSA-N 2 2 295.383 -0.406 20 0 CBADLP [NH3+]C1(C(=O)N2CCOC3(CC[NH2+]CC3)C2)CC[NH2+]CC1 ZINC001158077778 815503186 /nfs/dbraw/zinc/50/31/86/815503186.db2.gz XGVSZWZBZMBNPX-UHFFFAOYSA-N 3 2 282.388 -0.952 20 0 CBADLP [NH3+]C1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]3C[NH2+]C[C@H]3[NH2+]1)CC2 ZINC001158081488 815503358 /nfs/dbraw/zinc/50/33/58/815503358.db2.gz DSFOUFGKPXOHOE-WCFLWFBJSA-N 3 2 278.400 -0.334 20 0 CBADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N2CCC[C@]23CCC[NH2+]C3)C1 ZINC001158160198 815507320 /nfs/dbraw/zinc/50/73/20/815507320.db2.gz JFXZYNDNYUHAPA-GVXVVHGQSA-N 3 2 252.362 -0.580 20 0 CBADLP CCn1nnc2c1[C@@H](C(=O)N1CC[C@@H]3[NH2+]CC[C@H]31)C[NH2+]C2 ZINC001158193180 815512004 /nfs/dbraw/zinc/51/20/04/815512004.db2.gz LCLZOHAGDOZUEJ-JBLDHEPKSA-N 2 2 290.371 -0.552 20 0 CBADLP C[C@@H]1C(=O)Nc2ncnc(-n3c[nH+]cc3C[C@@H]([NH3+])CO)c21 ZINC001158206434 815514399 /nfs/dbraw/zinc/51/43/99/815514399.db2.gz ODFVWCFKVWXXRF-JGVFFNPUSA-N 2 2 288.311 -0.420 20 0 CBADLP CCOc1ccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nn1 ZINC001158203943 815512747 /nfs/dbraw/zinc/51/27/47/815512747.db2.gz TYGYGDSDHZRQED-SECBINFHSA-N 2 2 263.301 -0.077 20 0 CBADLP COc1cnc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nc1OC ZINC001158203508 815512886 /nfs/dbraw/zinc/51/28/86/815512886.db2.gz BHXPRKREIKUDQL-MRVPVSSYSA-N 2 2 279.300 -0.458 20 0 CBADLP Cc1ncc(F)c(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001158204177 815512920 /nfs/dbraw/zinc/51/29/20/815512920.db2.gz LGQJLRHWKNABBY-MRVPVSSYSA-N 2 2 251.265 -0.028 20 0 CBADLP COCc1nc(OC)cc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001158209357 815513544 /nfs/dbraw/zinc/51/35/44/815513544.db2.gz SCGNZGNVSFLSHN-SECBINFHSA-N 2 2 293.327 -0.321 20 0 CBADLP COCc1cc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nc(C)n1 ZINC001158204965 815513702 /nfs/dbraw/zinc/51/37/02/815513702.db2.gz YHWVZRPLKLTQPJ-SNVBAGLBSA-N 2 2 277.328 -0.021 20 0 CBADLP COC(=O)c1cc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)ncc1N ZINC001158204960 815514017 /nfs/dbraw/zinc/51/40/17/815514017.db2.gz YDDMWRGVXZWQKM-MRVPVSSYSA-N 2 2 291.311 -0.502 20 0 CBADLP O=C(N1CCC2(COC2)C1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001158170060 815509399 /nfs/dbraw/zinc/50/93/99/815509399.db2.gz ZOGISSBMRZOTHL-GWCFXTLKSA-N 2 2 251.330 -0.813 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CCC2(CCC[NH2+]2)CC1 ZINC001158170200 815509406 /nfs/dbraw/zinc/50/94/06/815509406.db2.gz WVRXBSCUHQOKBJ-QWRGUYRKSA-N 3 2 252.362 -0.722 20 0 CBADLP NC(=O)c1cc(Cl)cnc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001158204303 815514285 /nfs/dbraw/zinc/51/42/85/815514285.db2.gz VVUDLFLVKSLPND-MRVPVSSYSA-N 2 2 295.730 -0.118 20 0 CBADLP O=C([C@@H](CO)n1cc[nH+]c1)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158192912 815511545 /nfs/dbraw/zinc/51/15/45/815511545.db2.gz HWKHAEXDRDXVOJ-HBNTYKKESA-N 2 2 250.302 -0.621 20 0 CBADLP NC(=O)c1ccnc(N2CCC([N@@H+]3CC[C@H]([NH3+])C3)CC2)n1 ZINC001158258949 815516998 /nfs/dbraw/zinc/51/69/98/815516998.db2.gz MPIMUXUTCOHVTJ-JTQLQIEISA-N 2 2 290.371 -0.423 20 0 CBADLP NC(=O)c1ccnc(N2CCC([N@H+]3CC[C@H]([NH3+])C3)CC2)n1 ZINC001158258949 815517001 /nfs/dbraw/zinc/51/70/01/815517001.db2.gz MPIMUXUTCOHVTJ-JTQLQIEISA-N 2 2 290.371 -0.423 20 0 CBADLP C[NH+](C)CC(=O)NCC(C)(C)N1CC[NH+](C)CC1 ZINC001116735245 812305536 /nfs/dbraw/zinc/30/55/36/812305536.db2.gz QUUHVQJLRCGGRL-UHFFFAOYSA-N 2 2 256.394 -0.310 20 0 CBADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001158328255 815520676 /nfs/dbraw/zinc/52/06/76/815520676.db2.gz XHEGKWKHYQTBLP-SDONNHMOSA-N 2 2 253.321 -0.247 20 0 CBADLP C[NH+]1CCN(c2cccc(N[C@H](CO)C(N)=O)[nH+]2)CC1 ZINC001158442251 815530598 /nfs/dbraw/zinc/53/05/98/815530598.db2.gz CJUWBABNOMIACR-SNVBAGLBSA-N 2 2 279.344 -0.909 20 0 CBADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC001118313717 812525608 /nfs/dbraw/zinc/52/56/08/812525608.db2.gz IXQBKEFWSITYEK-GXFFZTMASA-N 2 2 266.345 -0.229 20 0 CBADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC001118313717 812525613 /nfs/dbraw/zinc/52/56/13/812525613.db2.gz IXQBKEFWSITYEK-GXFFZTMASA-N 2 2 266.345 -0.229 20 0 CBADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC001118313717 812525617 /nfs/dbraw/zinc/52/56/17/812525617.db2.gz IXQBKEFWSITYEK-GXFFZTMASA-N 2 2 266.345 -0.229 20 0 CBADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC001118313717 812525622 /nfs/dbraw/zinc/52/56/22/812525622.db2.gz IXQBKEFWSITYEK-GXFFZTMASA-N 2 2 266.345 -0.229 20 0 CBADLP COC[C@@H](CO)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001118325469 812529571 /nfs/dbraw/zinc/52/95/71/812529571.db2.gz IRPTXCOGCFARIS-CHWSQXEVSA-N 2 2 258.362 -0.163 20 0 CBADLP CCOC(=O)[C@]12C[C@H]1CCN2C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001158532592 815536812 /nfs/dbraw/zinc/53/68/12/815536812.db2.gz CRZXJGNIOPRAAI-UPYBOPHASA-N 2 2 293.367 -0.238 20 0 CBADLP CCOC(=O)[C@@]12C[C@@H]1CCN2C(=O)C1([NH3+])CC[NH2+]CC1 ZINC001158533442 815537151 /nfs/dbraw/zinc/53/71/51/815537151.db2.gz LTNJJOLEDUUBOW-IINYFYTJSA-N 2 2 281.356 -0.379 20 0 CBADLP [NH3+]C1([C@@H]2CN(C(=O)[C@@H]3C[C@H]4C[NH2+]C[C@H]4[NH2+]3)C[C@@H]2CF)CC1 ZINC001158566318 815538070 /nfs/dbraw/zinc/53/80/70/815538070.db2.gz BSOWKIJGDADURX-IEECTRCBSA-N 3 2 296.390 -0.528 20 0 CBADLP [NH3+]C1([C@H]2CN(C(=O)C3([NH3+])CC[NH2+]CC3)C[C@H]2CF)CC1 ZINC001158576188 815539917 /nfs/dbraw/zinc/53/99/17/815539917.db2.gz AFEFFBMWRZAICK-MNOVXSKESA-N 3 2 284.379 -0.397 20 0 CBADLP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCn2c[nH+]cc2C1 ZINC001118963394 812678323 /nfs/dbraw/zinc/67/83/23/812678323.db2.gz SOSKYGBNMJEJOX-SECBINFHSA-N 2 2 265.317 -0.969 20 0 CBADLP C[NH2+]C[C@H](C)CNC(=O)/C=C/C[NH+]1CCOCC1 ZINC001119291502 812742769 /nfs/dbraw/zinc/74/27/69/812742769.db2.gz OVEBQSZFUUWLDF-PCAWENJQSA-N 2 2 255.362 -0.154 20 0 CBADLP Cn1c[nH+]cc1CNC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC001119476831 812790236 /nfs/dbraw/zinc/79/02/36/812790236.db2.gz JBPLRHDNBAHIPC-JTQLQIEISA-N 2 2 253.306 -0.792 20 0 CBADLP CC1(C)CN(C(=O)C(=O)N2CCn3c[nH+]cc3C2)C[C@H]1[NH3+] ZINC001119544159 812804291 /nfs/dbraw/zinc/80/42/91/812804291.db2.gz GEKFJAQEJSNCHT-LLVKDONJSA-N 2 2 291.355 -0.579 20 0 CBADLP CO[C@]1(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])CCS(=O)(=O)C1 ZINC001119700871 812872518 /nfs/dbraw/zinc/87/25/18/812872518.db2.gz KIQZWJDUHINURU-AXFHLTTASA-N 2 2 262.375 -0.341 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@@H](O)C1(O)CCOCC1 ZINC001120376029 812956144 /nfs/dbraw/zinc/95/61/44/812956144.db2.gz IALSFFRTGMKJNX-VXGBXAGGSA-N 2 2 269.345 -0.236 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NCC1([NH3+])CC1 ZINC001120480491 812972825 /nfs/dbraw/zinc/97/28/25/812972825.db2.gz VQLQVRQMZLYNBQ-JTQLQIEISA-N 2 2 256.350 -0.502 20 0 CBADLP O[C@H](C[NH2+][C@H]1Cc2cncn2C1)C[NH+]1CCCC1 ZINC001120602739 812998518 /nfs/dbraw/zinc/99/85/18/812998518.db2.gz GUOWVTLIYNTHKD-WCQYABFASA-N 2 2 250.346 -0.146 20 0 CBADLP O[C@H](C[NH2+][C@@H]1Cc2cncn2C1)C[NH+]1CCCC1 ZINC001120602738 812998897 /nfs/dbraw/zinc/99/88/97/812998897.db2.gz GUOWVTLIYNTHKD-DGCLKSJQSA-N 2 2 250.346 -0.146 20 0 CBADLP CN1CCN(c2cc[nH+]c(N)n2)CC[N@H+](C)CC1 ZINC001120880787 813025461 /nfs/dbraw/zinc/02/54/61/813025461.db2.gz BCZXZEKJPWLCPW-UHFFFAOYSA-N 2 2 250.350 -0.258 20 0 CBADLP CN1CCN(c2cc[nH+]c(N)n2)CC[N@@H+](C)CC1 ZINC001120880787 813025467 /nfs/dbraw/zinc/02/54/67/813025467.db2.gz BCZXZEKJPWLCPW-UHFFFAOYSA-N 2 2 250.350 -0.258 20 0 CBADLP Cc1nc(N[C@H](CO)CNC(=O)[C@@H]2CCC[N@H+]2C)cc[nH+]1 ZINC001121241725 813056703 /nfs/dbraw/zinc/05/67/03/813056703.db2.gz OAZOEQGADDFZTG-RYUDHWBXSA-N 2 2 293.371 -0.232 20 0 CBADLP Cc1nc(N[C@H](CO)CNC(=O)[C@@H]2CCC[N@@H+]2C)cc[nH+]1 ZINC001121241725 813056711 /nfs/dbraw/zinc/05/67/11/813056711.db2.gz OAZOEQGADDFZTG-RYUDHWBXSA-N 2 2 293.371 -0.232 20 0 CBADLP Cc1nc(N[C@@H](CO)CNC(=O)[C@@H]2CC[N@@H+](C)C2)cc[nH+]1 ZINC001121589494 813073362 /nfs/dbraw/zinc/07/33/62/813073362.db2.gz GERIAPMSOOTMOZ-VXGBXAGGSA-N 2 2 293.371 -0.374 20 0 CBADLP Cc1nc(N[C@@H](CO)CNC(=O)[C@@H]2CC[N@H+](C)C2)cc[nH+]1 ZINC001121589494 813073370 /nfs/dbraw/zinc/07/33/70/813073370.db2.gz GERIAPMSOOTMOZ-VXGBXAGGSA-N 2 2 293.371 -0.374 20 0 CBADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]([NH3+])CO ZINC001121903753 813088624 /nfs/dbraw/zinc/08/86/24/813088624.db2.gz KWEGBQQQZCUFQD-NXEZZACHSA-N 2 2 254.334 -0.266 20 0 CBADLP CN(CCCn1cc[nH+]c1)C(=O)[C@@]1(C)C[C@H](O)C[NH2+]1 ZINC001121970567 813097616 /nfs/dbraw/zinc/09/76/16/813097616.db2.gz XXHNJKYIWJIRFF-WCQYABFASA-N 2 2 266.345 -0.156 20 0 CBADLP C[C@]1(C(=O)N[C@@H]2CCC[N@H+](CC(N)=O)C2)CCC[NH2+]1 ZINC001121988826 813100928 /nfs/dbraw/zinc/10/09/28/813100928.db2.gz NEVMSZSDPPHOKX-ZWNOBZJWSA-N 2 2 268.361 -0.806 20 0 CBADLP C[C@]1(C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)C2)CCC[NH2+]1 ZINC001121988826 813100932 /nfs/dbraw/zinc/10/09/32/813100932.db2.gz NEVMSZSDPPHOKX-ZWNOBZJWSA-N 2 2 268.361 -0.806 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC001121991506 813101225 /nfs/dbraw/zinc/10/12/25/813101225.db2.gz SLJDXBAHKSLXLH-AAEUAGOBSA-N 2 2 266.345 -0.108 20 0 CBADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@H]1C[NH2+]C[C@H]1O ZINC001122078983 813114344 /nfs/dbraw/zinc/11/43/44/813114344.db2.gz DYACMHCFRGRBAS-WDEREUQCSA-N 2 2 264.329 -0.789 20 0 CBADLP [NH3+][C@@H]1CCC[C@@H]1C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001122157502 813125943 /nfs/dbraw/zinc/12/59/43/813125943.db2.gz MRHOJQAZBGBPTO-NWDGAFQWSA-N 3 2 254.378 -0.347 20 0 CBADLP [NH3+][C@@]1(CO)CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001122205075 813132536 /nfs/dbraw/zinc/13/25/36/813132536.db2.gz BPWACVCBSSZXPP-BREBYQMCSA-N 2 2 264.329 -0.175 20 0 CBADLP [NH3+][C@@]1(CO)CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001122205075 813132543 /nfs/dbraw/zinc/13/25/43/813132543.db2.gz BPWACVCBSSZXPP-BREBYQMCSA-N 2 2 264.329 -0.175 20 0 CBADLP C[C@@H](O)C[NH2+]CCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001159537117 815578995 /nfs/dbraw/zinc/57/89/95/815578995.db2.gz KPWHOHNEGDFFRD-SNVBAGLBSA-N 2 2 254.334 -0.181 20 0 CBADLP C[C@@H](O)C[NH2+]CCCNC(=O)CCc1c[nH+]c[nH]1 ZINC001159537117 815579002 /nfs/dbraw/zinc/57/90/02/815579002.db2.gz KPWHOHNEGDFFRD-SNVBAGLBSA-N 2 2 254.334 -0.181 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)NCCC[NH2+]CCOCCO ZINC001159536885 815579294 /nfs/dbraw/zinc/57/92/94/815579294.db2.gz BRRHCIRJGAXPNJ-UHFFFAOYSA-N 2 2 284.360 -0.553 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)NCCC[NH2+]CCOCCO ZINC001159536885 815579299 /nfs/dbraw/zinc/57/92/99/815579299.db2.gz BRRHCIRJGAXPNJ-UHFFFAOYSA-N 2 2 284.360 -0.553 20 0 CBADLP Cn1c(C(=O)NCC[NH+]2CCC([NH3+])CC2)c[nH]c1=O ZINC001122238492 813137574 /nfs/dbraw/zinc/13/75/74/813137574.db2.gz FFSYLCGFTJPNJB-UHFFFAOYSA-N 2 2 267.333 -0.721 20 0 CBADLP C[C@H](NC(=O)C1CC[NH2+]CC1)[C@H]1CN(C)CC[N@@H+]1C ZINC001122447127 813165775 /nfs/dbraw/zinc/16/57/75/813165775.db2.gz BILZNJRWOZPZIY-WCQYABFASA-N 2 2 268.405 -0.264 20 0 CBADLP C[C@H](NC(=O)C1CC[NH2+]CC1)[C@H]1CN(C)CC[N@H+]1C ZINC001122447127 813165779 /nfs/dbraw/zinc/16/57/79/813165779.db2.gz BILZNJRWOZPZIY-WCQYABFASA-N 2 2 268.405 -0.264 20 0 CBADLP CN(C)C(=O)[C@@H]1CC12CCN(C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])CC2 ZINC001159862921 815601091 /nfs/dbraw/zinc/60/10/91/815601091.db2.gz HHPGPMRCLFUSCT-SRVKXCTJSA-N 2 2 294.399 -0.750 20 0 CBADLP CN(C)C(=O)[C@H]1CC12CCN(C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)CC2 ZINC001159862930 815601567 /nfs/dbraw/zinc/60/15/67/815601567.db2.gz IAONCHGFHIYIJC-UTUOFQBUSA-N 2 2 294.399 -0.608 20 0 CBADLP Cc1nc(NC[C@@H](O)CN(C)C(=O)CC[NH+](C)C)cc[nH+]1 ZINC001124715019 813470929 /nfs/dbraw/zinc/47/09/29/813470929.db2.gz TXDPIVMYYAZDPK-GFCCVEGCSA-N 2 2 295.387 -0.032 20 0 CBADLP Cc1nnc(C[NH2+]CCNC(=O)[C@@H]2CCC[N@H+]2C)o1 ZINC001124872215 813491699 /nfs/dbraw/zinc/49/16/99/813491699.db2.gz AFNBULOWTOAZCT-JTQLQIEISA-N 2 2 267.333 -0.322 20 0 CBADLP Cc1nnc(C[NH2+]CCNC(=O)[C@@H]2CCC[N@@H+]2C)o1 ZINC001124872215 813491703 /nfs/dbraw/zinc/49/17/03/813491703.db2.gz AFNBULOWTOAZCT-JTQLQIEISA-N 2 2 267.333 -0.322 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC001124877659 813493651 /nfs/dbraw/zinc/49/36/51/813493651.db2.gz HOZFLESYHCWGRT-NSHDSACASA-N 2 2 292.387 -0.018 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC001124877659 813493655 /nfs/dbraw/zinc/49/36/55/813493655.db2.gz HOZFLESYHCWGRT-NSHDSACASA-N 2 2 292.387 -0.018 20 0 CBADLP Cc1nnc(C[NH2+]CCNC(=O)[C@H]2CCC[N@H+]2C)[nH]1 ZINC001124877585 813495188 /nfs/dbraw/zinc/49/51/88/813495188.db2.gz GTTYHGMYMLKHSE-SNVBAGLBSA-N 2 2 266.349 -0.587 20 0 CBADLP Cc1nnc(C[NH2+]CCNC(=O)[C@H]2CCC[N@@H+]2C)[nH]1 ZINC001124877585 813495194 /nfs/dbraw/zinc/49/51/94/813495194.db2.gz GTTYHGMYMLKHSE-SNVBAGLBSA-N 2 2 266.349 -0.587 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2nccs2)C1 ZINC001125213795 813531991 /nfs/dbraw/zinc/53/19/91/813531991.db2.gz LCUCHBVRRIHDJB-SNVBAGLBSA-N 2 2 284.385 -0.321 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2nccs2)C1 ZINC001125213795 813531997 /nfs/dbraw/zinc/53/19/97/813531997.db2.gz LCUCHBVRRIHDJB-SNVBAGLBSA-N 2 2 284.385 -0.321 20 0 CBADLP Cc1nocc1C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125213962 813532947 /nfs/dbraw/zinc/53/29/47/813532947.db2.gz NTZKLCPPWGKHDA-GFCCVEGCSA-N 2 2 282.344 -0.481 20 0 CBADLP Cc1nocc1C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125213962 813532957 /nfs/dbraw/zinc/53/29/57/813532957.db2.gz NTZKLCPPWGKHDA-GFCCVEGCSA-N 2 2 282.344 -0.481 20 0 CBADLP Cc1nc(C)c(C[NH2+]CCNC(=O)[C@H]2C[N@H+](C)CCO2)o1 ZINC001125222324 813534980 /nfs/dbraw/zinc/53/49/80/813534980.db2.gz UVMLAXBECOXVMP-CYBMUJFWSA-N 2 2 296.371 -0.172 20 0 CBADLP Cc1nc(C)c(C[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)CCO2)o1 ZINC001125222324 813534989 /nfs/dbraw/zinc/53/49/89/813534989.db2.gz UVMLAXBECOXVMP-CYBMUJFWSA-N 2 2 296.371 -0.172 20 0 CBADLP O=C(CCc1[nH]cc[nH+]1)NCC[NH2+]CCn1cccn1 ZINC001126441715 813647729 /nfs/dbraw/zinc/64/77/29/813647729.db2.gz BNCKUEALUQROSD-UHFFFAOYSA-N 2 2 276.344 -0.055 20 0 CBADLP CCN(C)C(=O)C[NH2+]CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001126436650 813647905 /nfs/dbraw/zinc/64/79/05/813647905.db2.gz GFPDDLPMXFHOAD-UHFFFAOYSA-N 2 2 281.360 -0.474 20 0 CBADLP CC(C)(C)NC(=O)C[NH2+]CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001126433082 813648062 /nfs/dbraw/zinc/64/80/62/813648062.db2.gz XTKNTVOSNHILCC-UHFFFAOYSA-N 2 2 295.387 -0.037 20 0 CBADLP O=C(CCc1[nH]cc[nH+]1)NCC[NH2+]CC(=O)NCC1CC1 ZINC001126436795 813648631 /nfs/dbraw/zinc/64/86/31/813648631.db2.gz MKWQMHKCJRISIJ-UHFFFAOYSA-N 2 2 293.371 -0.426 20 0 CBADLP O=C(CCc1[nH]cc[nH+]1)NCC[NH2+]CCn1cncn1 ZINC001126448086 813649716 /nfs/dbraw/zinc/64/97/16/813649716.db2.gz NKIHQVOZQQGAIP-UHFFFAOYSA-N 2 2 277.332 -0.660 20 0 CBADLP O=C(NCC[NH2+]Cc1cnon1)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127784818 813748938 /nfs/dbraw/zinc/74/89/38/813748938.db2.gz BNZZXGCUBRFNCY-NWDGAFQWSA-N 2 2 295.343 -0.861 20 0 CBADLP O=C(NCC[NH2+]Cc1cnon1)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127784818 813748943 /nfs/dbraw/zinc/74/89/43/813748943.db2.gz BNZZXGCUBRFNCY-NWDGAFQWSA-N 2 2 295.343 -0.861 20 0 CBADLP CC[C@H]([NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(N)=O ZINC001129892984 813874533 /nfs/dbraw/zinc/87/45/33/813874533.db2.gz GRXBDVQENRRFII-BBBLOLIVSA-N 2 2 279.344 -0.517 20 0 CBADLP CCN(C)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001129898033 813876036 /nfs/dbraw/zinc/87/60/36/813876036.db2.gz ZXAVBEXMUWGLRB-GHMZBOCLSA-N 2 2 293.371 -0.303 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001129891475 813876157 /nfs/dbraw/zinc/87/61/57/813876157.db2.gz MEEBJDCEOUFTPP-OPRDCNLKSA-N 2 2 279.344 -0.647 20 0 CBADLP O=C(C[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC1 ZINC001129897915 813876257 /nfs/dbraw/zinc/87/62/57/813876257.db2.gz SDKYGTZKIAJXTA-GHMZBOCLSA-N 2 2 291.355 -0.549 20 0 CBADLP C[C@H]([NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(=O)N(C)C ZINC001129892868 813876493 /nfs/dbraw/zinc/87/64/93/813876493.db2.gz COVVQJVGFAPLIR-HBNTYKKESA-N 2 2 293.371 -0.304 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2csnn2)O1 ZINC001130180305 813913340 /nfs/dbraw/zinc/91/33/40/813913340.db2.gz MALZLZHGWIHFDP-MWLCHTKSSA-N 2 2 299.400 -0.537 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2csnn2)O1 ZINC001130180305 813913344 /nfs/dbraw/zinc/91/33/44/813913344.db2.gz MALZLZHGWIHFDP-MWLCHTKSSA-N 2 2 299.400 -0.537 20 0 CBADLP Cc1cn(C(C)(C)C(=O)NCC[NH2+]CCOCCO)c[nH+]1 ZINC001130164858 813913878 /nfs/dbraw/zinc/91/38/78/813913878.db2.gz GFOBYVBOECVUMQ-UHFFFAOYSA-N 2 2 298.387 -0.359 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2nncs2)O1 ZINC001130182640 813914804 /nfs/dbraw/zinc/91/48/04/813914804.db2.gz QQEZEGGMGYWEQA-NXEZZACHSA-N 2 2 299.400 -0.537 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2nncs2)O1 ZINC001130182640 813914807 /nfs/dbraw/zinc/91/48/07/813914807.db2.gz QQEZEGGMGYWEQA-NXEZZACHSA-N 2 2 299.400 -0.537 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2nccn2C)O1 ZINC001130186922 813916234 /nfs/dbraw/zinc/91/62/34/813916234.db2.gz MILDPOLORAIRTP-VXGBXAGGSA-N 2 2 295.387 -0.655 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2nccn2C)O1 ZINC001130186922 813916240 /nfs/dbraw/zinc/91/62/40/813916240.db2.gz MILDPOLORAIRTP-VXGBXAGGSA-N 2 2 295.387 -0.655 20 0 CBADLP COC[C@H](O)C[NH2+]CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001130266061 813923104 /nfs/dbraw/zinc/92/31/04/813923104.db2.gz KGMPCQLVNWTILW-LLVKDONJSA-N 2 2 292.339 -0.110 20 0 CBADLP COC[C@@H](O)C[NH2+]CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001130404397 813935877 /nfs/dbraw/zinc/93/58/77/813935877.db2.gz JKPPZJBIIYRKLC-AAEUAGOBSA-N 2 2 296.371 -0.841 20 0 CBADLP C[C@H]([NH2+]CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1)C(N)=O ZINC001130404375 813936068 /nfs/dbraw/zinc/93/60/68/813936068.db2.gz ISJGIAYLPKGLOT-VHSXEESVSA-N 2 2 279.344 -0.975 20 0 CBADLP CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001130403684 813936688 /nfs/dbraw/zinc/93/66/88/813936688.db2.gz AFWMMQHUGCRMMX-NSHDSACASA-N 2 2 293.371 -0.713 20 0 CBADLP C[C@@H]([NH2+]CCNC(=O)[C@H]1CCn2cc[nH+]c2C1)C(N)=O ZINC001130481327 813943146 /nfs/dbraw/zinc/94/31/46/813943146.db2.gz PRZDRXVOMVNJIA-ZJUUUORDSA-N 2 2 279.344 -0.975 20 0 CBADLP COC[C@@H](O)C[NH2+]CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001130477496 813943899 /nfs/dbraw/zinc/94/38/99/813943899.db2.gz FCTNZMIJXBFLNK-NEPJUHHUSA-N 2 2 296.371 -0.841 20 0 CBADLP O=C(NCC[NH2+][C@H]1CCNC1=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001130477581 813943906 /nfs/dbraw/zinc/94/39/06/813943906.db2.gz HCABSMFZEFJMHA-MNOVXSKESA-N 2 2 291.355 -0.960 20 0 CBADLP C[C@H](O)C[NH2+]CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001130477537 813943970 /nfs/dbraw/zinc/94/39/70/813943970.db2.gz GIJKGRQHIQJTDD-WDEREUQCSA-N 2 2 266.345 -0.468 20 0 CBADLP CC[C@@H]([NH2+]CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)C(N)=O ZINC001130484177 813944045 /nfs/dbraw/zinc/94/40/45/813944045.db2.gz GVYWYVZSZBUFCD-GHMZBOCLSA-N 2 2 293.371 -0.585 20 0 CBADLP O=C(NCC[NH2+]CCO)[C@H]1CCc2[nH+]ccn2C1 ZINC001130481552 813944281 /nfs/dbraw/zinc/94/42/81/813944281.db2.gz WDIHSDGONGQCBF-JTQLQIEISA-N 2 2 252.318 -0.856 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cc(C[NH+](C)C)on1 ZINC001130648194 813959258 /nfs/dbraw/zinc/95/92/58/813959258.db2.gz JQGRGOJIJVDXGI-VIFPVBQESA-N 2 2 297.359 -0.810 20 0 CBADLP Cn1ncnc1C[NH2+]CCNC(=O)C12CCC[NH+]1CCC2 ZINC001130805536 813983314 /nfs/dbraw/zinc/98/33/14/813983314.db2.gz AEDPVPBIYFPUHN-UHFFFAOYSA-N 2 2 292.387 -0.351 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NCC[NH2+][C@H](C)c1nncn1C ZINC001131380674 814027714 /nfs/dbraw/zinc/02/77/14/814027714.db2.gz WEDNHIPRLDSMMQ-LLVKDONJSA-N 2 2 291.359 -0.213 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NCC[NH2+]Cc1ncnn1C ZINC001131380098 814027731 /nfs/dbraw/zinc/02/77/31/814027731.db2.gz CCKOMXDHAYRNNI-UHFFFAOYSA-N 2 2 277.332 -0.774 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)NCC[NH2+]CCOCCO ZINC001131640951 814050159 /nfs/dbraw/zinc/05/01/59/814050159.db2.gz BSABSFYHXXAPQL-UHFFFAOYSA-N 2 2 284.360 -0.933 20 0 CBADLP C[C@H](O)C[NH2+]CCNC(=O)CCc1[nH+]ccn1C ZINC001131653815 814050573 /nfs/dbraw/zinc/05/05/73/814050573.db2.gz VCSJFBWVGVYDOZ-JTQLQIEISA-N 2 2 254.334 -0.561 20 0 CBADLP C[C@H](O)C[NH2+]CCNC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC001131824655 814071195 /nfs/dbraw/zinc/07/11/95/814071195.db2.gz FIVMVZPTXHFZIA-GXTWGEPZSA-N 2 2 299.415 -0.426 20 0 CBADLP C[C@H](O)C[NH2+]CCNC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC001131824655 814071203 /nfs/dbraw/zinc/07/12/03/814071203.db2.gz FIVMVZPTXHFZIA-GXTWGEPZSA-N 2 2 299.415 -0.426 20 0 CBADLP C[C@@H](O)C[NH2+]CCNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC001131824659 814071474 /nfs/dbraw/zinc/07/14/74/814071474.db2.gz FIVMVZPTXHFZIA-OCCSQVGLSA-N 2 2 299.415 -0.426 20 0 CBADLP C[C@@H](O)C[NH2+]CCNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC001131824659 814071483 /nfs/dbraw/zinc/07/14/83/814071483.db2.gz FIVMVZPTXHFZIA-OCCSQVGLSA-N 2 2 299.415 -0.426 20 0 CBADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NCC[NH2+]C[C@H](C)O ZINC001131822520 814072204 /nfs/dbraw/zinc/07/22/04/814072204.db2.gz QOYOMLIQOQNENQ-STQMWFEESA-N 2 2 287.404 -0.426 20 0 CBADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NCC[NH2+]C[C@H](C)O ZINC001131822520 814072210 /nfs/dbraw/zinc/07/22/10/814072210.db2.gz QOYOMLIQOQNENQ-STQMWFEESA-N 2 2 287.404 -0.426 20 0 CBADLP CCNC(=O)C[NH2+]CCNC(=O)CCn1cc[nH+]c1 ZINC001132079904 814099315 /nfs/dbraw/zinc/09/93/15/814099315.db2.gz RXZBUWRZWZSBQN-UHFFFAOYSA-N 2 2 267.333 -0.885 20 0 CBADLP CCN(CC)C(=O)C[NH2+]CCNC(=O)CCn1cc[nH+]c1 ZINC001132079738 814099998 /nfs/dbraw/zinc/09/99/98/814099998.db2.gz KJAPLRMLTHDDTQ-UHFFFAOYSA-N 2 2 295.387 -0.153 20 0 CBADLP O=C(CCn1cc[nH+]c1)NCC[NH2+]CCn1cccn1 ZINC001132081460 814100266 /nfs/dbraw/zinc/10/02/66/814100266.db2.gz ABGZHSBSHNBXAN-UHFFFAOYSA-N 2 2 276.344 -0.124 20 0 CBADLP Cn1ccc(C[NH2+]CCNC(=O)CCn2cc[nH+]c2)n1 ZINC001132079800 814100490 /nfs/dbraw/zinc/10/04/90/814100490.db2.gz NHGASCGFZPWKQT-UHFFFAOYSA-N 2 2 276.344 -0.087 20 0 CBADLP CN(C(=O)C[NH2+]CCNC(=O)CCn1cc[nH+]c1)C1CC1 ZINC001132079728 814100627 /nfs/dbraw/zinc/10/06/27/814100627.db2.gz JWDNITVIVBNHCQ-UHFFFAOYSA-N 2 2 293.371 -0.400 20 0 CBADLP O=C(CCn1cc[nH+]c1)NCC[NH2+]CCN1CCNC1=O ZINC001132081498 814100711 /nfs/dbraw/zinc/10/07/11/814100711.db2.gz AJOKDZJQCXOYKS-UHFFFAOYSA-N 2 2 294.359 -0.996 20 0 CBADLP O=C(CCn1cc[nH+]c1)NCC[NH2+][C@H]1CCCNC1=O ZINC001132079665 814100830 /nfs/dbraw/zinc/10/08/30/814100830.db2.gz HKKDJQVKDJHOLA-NSHDSACASA-N 2 2 279.344 -0.742 20 0 CBADLP CN(C)c1noc(C[NH2+]CCNC(=O)CCC[NH+](C)C)n1 ZINC001133040087 814210936 /nfs/dbraw/zinc/21/09/36/814210936.db2.gz AGWFQMRJQAIEPG-UHFFFAOYSA-N 2 2 298.391 -0.317 20 0 CBADLP Cc1nonc1C[NH2+]CCNC(=O)CCC[NH+](C)C ZINC001133040300 814212905 /nfs/dbraw/zinc/21/29/05/814212905.db2.gz KOEWUPNMAOSLPS-UHFFFAOYSA-N 2 2 269.349 -0.074 20 0 CBADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+]CC1CC1 ZINC001133255732 814232948 /nfs/dbraw/zinc/23/29/48/814232948.db2.gz WDCSBWNWFZQWEI-ZDUSSCGKSA-N 2 2 293.371 -0.427 20 0 CBADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[NH2+]CC1CC1 ZINC001133255732 814232952 /nfs/dbraw/zinc/23/29/52/814232952.db2.gz WDCSBWNWFZQWEI-ZDUSSCGKSA-N 2 2 293.371 -0.427 20 0 CBADLP C[C@H](O)C[NH2+]CCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001133664453 814283800 /nfs/dbraw/zinc/28/38/00/814283800.db2.gz RHBFPPLNSHKPHI-UWVGGRQHSA-N 2 2 266.345 -0.084 20 0 CBADLP Cc1noc(C[NH2+]CCNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)n1 ZINC001133868121 814314836 /nfs/dbraw/zinc/31/48/36/814314836.db2.gz ZKYGVFAJJWICCO-MWLCHTKSSA-N 2 2 281.360 -0.218 20 0 CBADLP Cc1noc(C[NH2+]CCNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)n1 ZINC001133868121 814314842 /nfs/dbraw/zinc/31/48/42/814314842.db2.gz ZKYGVFAJJWICCO-MWLCHTKSSA-N 2 2 281.360 -0.218 20 0 CBADLP Cc1nonc1C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001133868149 814316171 /nfs/dbraw/zinc/31/61/71/814316171.db2.gz ZWWMXIFUVNISIZ-MWLCHTKSSA-N 2 2 281.360 -0.218 20 0 CBADLP Cc1nonc1C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001133868149 814316177 /nfs/dbraw/zinc/31/61/77/814316177.db2.gz ZWWMXIFUVNISIZ-MWLCHTKSSA-N 2 2 281.360 -0.218 20 0 CBADLP C[C@H](O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001134049884 814346626 /nfs/dbraw/zinc/34/66/26/814346626.db2.gz SOPXALCIMPDBPG-HBNTYKKESA-N 2 2 266.345 -0.390 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NCC[NH2+]C[C@H](O)CC(F)(F)F ZINC001134394310 814379670 /nfs/dbraw/zinc/37/96/70/814379670.db2.gz YXKKORAYLPGXAH-SECBINFHSA-N 2 2 294.277 -0.029 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NCC[NH2+]CCCN1CCCC1=O ZINC001134400701 814380138 /nfs/dbraw/zinc/38/01/38/814380138.db2.gz NYCHJIOEWNTJME-UHFFFAOYSA-N 2 2 293.371 -0.330 20 0 CBADLP C[C@@H](O)CCC[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001134397173 814380400 /nfs/dbraw/zinc/38/04/00/814380400.db2.gz KPPABDSVGBKKHS-SNVBAGLBSA-N 2 2 254.334 -0.181 20 0 CBADLP CCCC[C@@H]([NH2+]CCNC(=O)Cc1c[nH]c[nH+]1)C(N)=O ZINC001134397840 814380471 /nfs/dbraw/zinc/38/04/71/814380471.db2.gz WAZXIXMCKRCNAK-LLVKDONJSA-N 2 2 281.360 -0.298 20 0 CBADLP C[C@H](NC(=O)C[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001134396657 814380558 /nfs/dbraw/zinc/38/05/58/814380558.db2.gz BZCQGQYXSQUCAU-JTQLQIEISA-N 2 2 293.371 -0.427 20 0 CBADLP CC(C)N(C)C(=O)[C@@H](C)[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001134397150 814381410 /nfs/dbraw/zinc/38/14/10/814381410.db2.gz KDAHANHZBPGZON-LLVKDONJSA-N 2 2 295.387 -0.087 20 0 CBADLP CCn1nnc(C)c1C[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001134406948 814382326 /nfs/dbraw/zinc/38/23/26/814382326.db2.gz JRMFBTUHHRVUCY-UHFFFAOYSA-N 2 2 291.359 -0.222 20 0 CBADLP C[C@H](CC(=O)NCC[NH2+][C@@H]1CCCNC1=O)n1cc[nH+]c1 ZINC001134499060 814388298 /nfs/dbraw/zinc/38/82/98/814388298.db2.gz VTPXWCCAYFMPBF-VXGBXAGGSA-N 2 2 293.371 -0.181 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001134499185 814388317 /nfs/dbraw/zinc/38/83/17/814388317.db2.gz XYFXDCMNFMQVEH-GHMZBOCLSA-N 2 2 281.360 -0.326 20 0 CBADLP C[C@@H](CC(=O)NCC[NH2+]CC(N)=O)n1cc[nH+]c1 ZINC001134498808 814388948 /nfs/dbraw/zinc/38/89/48/814388948.db2.gz PFHBYROGKWDANT-VIFPVBQESA-N 2 2 253.306 -0.975 20 0 CBADLP C[C@@H](C[C@H](C)[NH2+]CC(N)=O)NC(=O)CCc1c[nH]c[nH+]1 ZINC001134544946 814395788 /nfs/dbraw/zinc/39/57/88/814395788.db2.gz KHDOHCNAANPCKI-UWVGGRQHSA-N 2 2 281.360 -0.300 20 0 CBADLP C[C@@H](C[C@H](C)[NH2+]CC(N)=O)NC(=O)CCc1c[nH+]c[nH]1 ZINC001134544946 814395794 /nfs/dbraw/zinc/39/57/94/814395794.db2.gz KHDOHCNAANPCKI-UWVGGRQHSA-N 2 2 281.360 -0.300 20 0 CBADLP C[C@H](C[C@@H](C)[NH2+]CC(N)=O)NC(=O)CCc1c[nH]c[nH+]1 ZINC001134544945 814396454 /nfs/dbraw/zinc/39/64/54/814396454.db2.gz KHDOHCNAANPCKI-NXEZZACHSA-N 2 2 281.360 -0.300 20 0 CBADLP C[C@H](C[C@@H](C)[NH2+]CC(N)=O)NC(=O)CCc1c[nH+]c[nH]1 ZINC001134544945 814396459 /nfs/dbraw/zinc/39/64/59/814396459.db2.gz KHDOHCNAANPCKI-NXEZZACHSA-N 2 2 281.360 -0.300 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+][C@@H]1CCN(C)C1=O ZINC001135072476 814434700 /nfs/dbraw/zinc/43/47/00/814434700.db2.gz XIBDFWALWIKDSA-ZYHUDNBSSA-N 2 2 293.371 -0.475 20 0 CBADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[NH2+][C@@H]1CCN(C)C1=O ZINC001135072476 814434704 /nfs/dbraw/zinc/43/47/04/814434704.db2.gz XIBDFWALWIKDSA-ZYHUDNBSSA-N 2 2 293.371 -0.475 20 0 CBADLP C[C@@H](O)C[NH2+]CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001135080089 814435696 /nfs/dbraw/zinc/43/56/96/814435696.db2.gz KUJIWFOXOBPIDZ-NXEZZACHSA-N 2 2 254.334 -0.325 20 0 CBADLP C[C@@H](O)C[NH2+]CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001135080089 814435700 /nfs/dbraw/zinc/43/57/00/814435700.db2.gz KUJIWFOXOBPIDZ-NXEZZACHSA-N 2 2 254.334 -0.325 20 0 CBADLP Cc1cccn2cc(CC(=O)NCC[NH2+]CCO)[nH+]c12 ZINC001135313129 814460934 /nfs/dbraw/zinc/46/09/34/814460934.db2.gz HRMWGCDDTCNOKE-UHFFFAOYSA-N 2 2 276.340 -0.117 20 0 CBADLP Cn1nnc(C[NH2+]CCCNC(=O)[C@@H](C2CC2)[NH+](C)C)n1 ZINC001159915662 815604982 /nfs/dbraw/zinc/60/49/82/815604982.db2.gz LPCGUULDMSDGFV-GFCCVEGCSA-N 2 2 295.391 -0.854 20 0 CBADLP Cn1ccnc1C[NH2+]CCNC(=O)CC[NH+]1CCOCC1 ZINC001135350432 814468348 /nfs/dbraw/zinc/46/83/48/814468348.db2.gz XBAFTWNHHXLLKI-UHFFFAOYSA-N 2 2 295.387 -0.652 20 0 CBADLP Cc1nonc1C[NH2+]CCNC(=O)CC[NH+]1CCOCC1 ZINC001135350438 814468395 /nfs/dbraw/zinc/46/83/95/814468395.db2.gz XPBXROPICLGTNI-UHFFFAOYSA-N 2 2 297.359 -0.694 20 0 CBADLP Cn1nnc(C[NH2+]CCCNC(=O)C[N@H+](C)C2CCC2)n1 ZINC001159997534 815606239 /nfs/dbraw/zinc/60/62/39/815606239.db2.gz QUEIESAKRACPSS-UHFFFAOYSA-N 2 2 295.391 -0.710 20 0 CBADLP Cn1nnc(C[NH2+]CCCNC(=O)C[N@@H+](C)C2CCC2)n1 ZINC001159997534 815606242 /nfs/dbraw/zinc/60/62/42/815606242.db2.gz QUEIESAKRACPSS-UHFFFAOYSA-N 2 2 295.391 -0.710 20 0 CBADLP CC[NH+](CC)CC(=O)NCC[NH2+]Cc1nnc(C)o1 ZINC001135507933 814479581 /nfs/dbraw/zinc/47/95/81/814479581.db2.gz CAZGJOLKXJMFGT-UHFFFAOYSA-N 2 2 269.349 -0.074 20 0 CBADLP C[C@@H](C[C@H](C)[NH2+]CCOCCO)NC(=O)Cc1c[nH]c[nH+]1 ZINC001135553297 814489545 /nfs/dbraw/zinc/48/95/45/814489545.db2.gz SUCCZUMQXOUWAD-RYUDHWBXSA-N 2 2 298.387 -0.166 20 0 CBADLP CNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001135552927 814490893 /nfs/dbraw/zinc/49/08/93/814490893.db2.gz MQUDYEYZXQJNFG-NXEZZACHSA-N 2 2 281.360 -0.429 20 0 CBADLP C[C@@H](C[C@H](C)[NH2+]CC(N)=O)NC(=O)Cc1c[nH]c[nH+]1 ZINC001135580030 814495743 /nfs/dbraw/zinc/49/57/43/814495743.db2.gz LRFGEUCKDWWWFD-IUCAKERBSA-N 2 2 267.333 -0.690 20 0 CBADLP CC1CC[NH+](CC(=O)NCC[NH2+]Cc2cnn(C)n2)CC1 ZINC001135688410 814511383 /nfs/dbraw/zinc/51/13/83/814511383.db2.gz PABMKHKMCZHOSP-UHFFFAOYSA-N 2 2 294.403 -0.247 20 0 CBADLP O=C(NCCC[NH2+][C@@H]1CCNC1=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001160326942 815616526 /nfs/dbraw/zinc/61/65/26/815616526.db2.gz RPAZTQJRVGGSFJ-GMTAPVOTSA-N 2 2 291.355 -0.502 20 0 CBADLP O=C(NCCC[NH2+][C@@H]1CCNC1=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001160326942 815616529 /nfs/dbraw/zinc/61/65/29/815616529.db2.gz RPAZTQJRVGGSFJ-GMTAPVOTSA-N 2 2 291.355 -0.502 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001160332161 815616750 /nfs/dbraw/zinc/61/67/50/815616750.db2.gz IGLYQMXFSRWQHH-GMTAPVOTSA-N 2 2 293.371 -0.256 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001160332161 815616752 /nfs/dbraw/zinc/61/67/52/815616752.db2.gz IGLYQMXFSRWQHH-GMTAPVOTSA-N 2 2 293.371 -0.256 20 0 CBADLP O=C(NCCC[NH2+][C@H]1CCNC1=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001160326943 815617116 /nfs/dbraw/zinc/61/71/16/815617116.db2.gz RPAZTQJRVGGSFJ-MXWKQRLJSA-N 2 2 291.355 -0.502 20 0 CBADLP O=C(NCCC[NH2+][C@H]1CCNC1=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001160326943 815617119 /nfs/dbraw/zinc/61/71/19/815617119.db2.gz RPAZTQJRVGGSFJ-MXWKQRLJSA-N 2 2 291.355 -0.502 20 0 CBADLP CC(C)NC(=O)C[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001135754601 814518740 /nfs/dbraw/zinc/51/87/40/814518740.db2.gz DWHSZQBFUQKLEL-UHFFFAOYSA-N 2 2 267.333 -0.817 20 0 CBADLP Cn1nccc1CC[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001135757864 814519433 /nfs/dbraw/zinc/51/94/33/814519433.db2.gz SQYFZXVSLITZDU-UHFFFAOYSA-N 2 2 276.344 -0.366 20 0 CBADLP Cc1noc(CCC[NH2+]CCNC(=O)Cc2[nH]cc[nH+]2)n1 ZINC001135756155 814520119 /nfs/dbraw/zinc/52/01/19/814520119.db2.gz WWWIMOJMMDNFHQ-UHFFFAOYSA-N 2 2 292.343 -0.018 20 0 CBADLP CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001135766563 814521414 /nfs/dbraw/zinc/52/14/14/814521414.db2.gz YFPYIGXSPGFMLR-GHMZBOCLSA-N 2 2 295.387 -0.039 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NCC[NH2+]C[C@@H]1CCOC1 ZINC001135759709 814521522 /nfs/dbraw/zinc/52/15/22/814521522.db2.gz CAPUESHRGITRFB-JTQLQIEISA-N 2 2 252.318 -0.306 20 0 CBADLP CC(C)COC[C@H](O)C[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001135766239 814521595 /nfs/dbraw/zinc/52/15/95/814521595.db2.gz NDXAETZEKWPBNW-GFCCVEGCSA-N 2 2 298.387 -0.309 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NCC[NH2+]CCN1CCCC1=O ZINC001135758138 814522076 /nfs/dbraw/zinc/52/20/76/814522076.db2.gz ZHYWEUPJZPEXOH-UHFFFAOYSA-N 2 2 279.344 -0.720 20 0 CBADLP C[C@H](C[C@H](C)NC(=O)Cc1[nH]cc[nH+]1)[NH2+]CC(N)=O ZINC001135798855 814528392 /nfs/dbraw/zinc/52/83/92/814528392.db2.gz MXOQLUBXAAWXFS-BDAKNGLRSA-N 2 2 267.333 -0.690 20 0 CBADLP O=C(N1C[C@@H]2C[C@H]1C[C@H]2F)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160426101 815619676 /nfs/dbraw/zinc/61/96/76/815619676.db2.gz BQHPUSDYBVWLLO-OBBGECFZSA-N 2 2 253.321 -0.103 20 0 CBADLP CNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001135945067 814539177 /nfs/dbraw/zinc/53/91/77/814539177.db2.gz UTFNHHSOGAURTK-MNOVXSKESA-N 2 2 295.387 -0.419 20 0 CBADLP CC[N@@H+]1CC[C@@H]1C(=O)N1CC[NH+](CCOC)CC1 ZINC001136648378 814566641 /nfs/dbraw/zinc/56/66/41/814566641.db2.gz NZXZOKBNMLMBJC-GFCCVEGCSA-N 2 2 255.362 -0.129 20 0 CBADLP CC[N@H+]1CC[C@@H]1C(=O)N1CC[NH+](CCOC)CC1 ZINC001136648378 814566646 /nfs/dbraw/zinc/56/66/46/814566646.db2.gz NZXZOKBNMLMBJC-GFCCVEGCSA-N 2 2 255.362 -0.129 20 0 CBADLP COC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)C2 ZINC001159625710 815581821 /nfs/dbraw/zinc/58/18/21/815581821.db2.gz ZMFSAOIVSUQSDD-COMQUAJESA-N 2 2 297.399 -0.280 20 0 CBADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)C1C[NH+](C)C1 ZINC001142600810 814722361 /nfs/dbraw/zinc/72/23/61/814722361.db2.gz LVSIRCLIVYYLAP-LLVKDONJSA-N 2 2 280.328 -0.818 20 0 CBADLP OC[C@@H]1C[NH2+]C[C@@H]1Nc1cc(N2CCOCC2)[nH+]cn1 ZINC001159671156 815583969 /nfs/dbraw/zinc/58/39/69/815583969.db2.gz IGBXWASXMQJVML-QWRGUYRKSA-N 2 2 279.344 -0.695 20 0 CBADLP C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CC3CC[NH+]2CC3)C1 ZINC001142633575 814727401 /nfs/dbraw/zinc/72/74/01/814727401.db2.gz QNTJHKBGZXCTKL-QWHCGFSZSA-N 2 2 267.373 -0.083 20 0 CBADLP C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CC3CC[NH+]2CC3)C1 ZINC001142633575 814727409 /nfs/dbraw/zinc/72/74/09/814727409.db2.gz QNTJHKBGZXCTKL-QWHCGFSZSA-N 2 2 267.373 -0.083 20 0 CBADLP OC[C@H]1C[NH2+]C[C@H]1Nc1cccc(N2CCOCC2)[nH+]1 ZINC001159676173 815585452 /nfs/dbraw/zinc/58/54/52/815585452.db2.gz FXOIOZYUAHBCSK-VXGBXAGGSA-N 2 2 278.356 -0.090 20 0 CBADLP OC[C@@H]1C[NH2+]C[C@H]1Nc1cccc(N2CCOCC2)[nH+]1 ZINC001159676169 815585659 /nfs/dbraw/zinc/58/56/59/815585659.db2.gz FXOIOZYUAHBCSK-NWDGAFQWSA-N 2 2 278.356 -0.090 20 0 CBADLP Cc1[nH+]ccn1CCNC(=O)CC[NH+]1CCN(C)CC1 ZINC001143236965 814764489 /nfs/dbraw/zinc/76/44/89/814764489.db2.gz XPHOJZDSIOXZCK-UHFFFAOYSA-N 2 2 279.388 -0.055 20 0 CBADLP Cc1[nH+]ccn1CCNC(=O)CCN1CC[NH+](C)CC1 ZINC001143236965 814764494 /nfs/dbraw/zinc/76/44/94/814764494.db2.gz XPHOJZDSIOXZCK-UHFFFAOYSA-N 2 2 279.388 -0.055 20 0 CBADLP CN(CC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)C(N)=[NH2+] ZINC001144141141 814773574 /nfs/dbraw/zinc/77/35/74/814773574.db2.gz ALUPPBSKSZXYHD-SNVBAGLBSA-N 2 2 276.344 -0.398 20 0 CBADLP O=C(NCC[NH2+]CCCO)c1cc(-n2cc[nH+]c2)ccn1 ZINC001146510067 814840037 /nfs/dbraw/zinc/84/00/37/814840037.db2.gz ZLZQCWKHGIEMLD-UHFFFAOYSA-N 2 2 289.339 -0.031 20 0 CBADLP CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001146755259 814846478 /nfs/dbraw/zinc/84/64/78/814846478.db2.gz IIDZJNOIWWYTKH-VXGBXAGGSA-N 2 2 295.387 -0.108 20 0 CBADLP C[NH+](C)CCOCC(=O)NCC[NH2+]Cc1ncccn1 ZINC001147841838 814918652 /nfs/dbraw/zinc/91/86/52/814918652.db2.gz KEMYBMBKGMWSEH-UHFFFAOYSA-N 2 2 281.360 -0.739 20 0 CBADLP C[NH+](C)CCOCC(=O)NCC[NH2+]Cc1cnsn1 ZINC001147841808 814919394 /nfs/dbraw/zinc/91/93/94/814919394.db2.gz IQDUCQBDYLGKLN-UHFFFAOYSA-N 2 2 287.389 -0.678 20 0 CBADLP Cc1ncc(C[NH2+]CCNC(=O)Cc2c[nH+]cn2C)cn1 ZINC001147871872 814920426 /nfs/dbraw/zinc/92/04/26/814920426.db2.gz PWXWBMUDVKWDBN-UHFFFAOYSA-N 2 2 288.355 -0.033 20 0 CBADLP CCN(CC)C(=O)C[NH2+]CCNC(=O)Cc1c[nH+]cn1C ZINC001147871948 814920449 /nfs/dbraw/zinc/92/04/49/814920449.db2.gz TUVSLAXCERPXPN-UHFFFAOYSA-N 2 2 295.387 -0.463 20 0 CBADLP Cn1cc(CC[NH2+]CCNC(=O)Cc2c[nH+]cn2C)cn1 ZINC001147871699 814920615 /nfs/dbraw/zinc/92/06/15/814920615.db2.gz INZYHAIBMSRVLQ-UHFFFAOYSA-N 2 2 290.371 -0.355 20 0 CBADLP COCCN(C(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2)C(C)C ZINC001160462836 815625542 /nfs/dbraw/zinc/62/55/42/815625542.db2.gz AMNNCBBQXDUXDK-YPMHNXCESA-N 2 2 255.362 -0.179 20 0 CBADLP Cc1cc(CN(C)C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])n(C)n1 ZINC001160474371 815627020 /nfs/dbraw/zinc/62/70/20/815627020.db2.gz CQPREFYQLPBMMF-QWRGUYRKSA-N 2 2 251.334 -0.766 20 0 CBADLP [NH3+]C[C@]1(Nc2ncnc3c2CC[NH2+]C3)C[NH+]2CCC1CC2 ZINC001160511265 815631098 /nfs/dbraw/zinc/63/10/98/815631098.db2.gz NMVXTLWPKIOQOK-HNNXBMFYSA-N 3 2 288.399 -0.043 20 0 CBADLP CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC([NH3+])CC1 ZINC001160505305 815631715 /nfs/dbraw/zinc/63/17/15/815631715.db2.gz WCVSSEKKTUTOIX-GFCCVEGCSA-N 2 2 279.344 -0.593 20 0 CBADLP CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC([NH3+])CC1 ZINC001160505305 815631717 /nfs/dbraw/zinc/63/17/17/815631717.db2.gz WCVSSEKKTUTOIX-GFCCVEGCSA-N 2 2 279.344 -0.593 20 0 CBADLP CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)CC1 ZINC001160537625 815634111 /nfs/dbraw/zinc/63/41/11/815634111.db2.gz NVKCGKLTFIOERB-PWSUYJOCSA-N 3 2 254.378 -0.382 20 0 CBADLP CN(CC1(C)COC1)C(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160546312 815635931 /nfs/dbraw/zinc/63/59/31/815635931.db2.gz XYRSLCRTEVQGBA-ZWNOBZJWSA-N 2 2 253.346 -0.567 20 0 CBADLP NC(=O)[C@@H]1CCN(C(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)C1 ZINC001160549670 815636815 /nfs/dbraw/zinc/63/68/15/815636815.db2.gz UUNCEDBBGHAAMT-VXGBXAGGSA-N 2 2 276.340 -0.408 20 0 CBADLP Cc1cc2n(n1)c(=O)cc(C)n2C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001160565316 815638862 /nfs/dbraw/zinc/63/88/62/815638862.db2.gz VOZZQNGPWKLMDP-ZJUUUORDSA-N 2 2 275.312 -0.558 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCN(CCF)CC1 ZINC001160628878 815645100 /nfs/dbraw/zinc/64/51/00/815645100.db2.gz HOLMUYOHSLHXDZ-LBPRGKRZSA-N 2 2 283.351 -0.596 20 0 CBADLP [NH3+]C1(C(=O)N2CCC[C@H](CCO)C2)CC[NH2+]CC1 ZINC001160611849 815645504 /nfs/dbraw/zinc/64/55/04/815645504.db2.gz XISMOCVDCHWNCV-LLVKDONJSA-N 2 2 255.362 -0.312 20 0 CBADLP COC(=O)[C@]1(C)CCCN(C(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)C1 ZINC001160635208 815646544 /nfs/dbraw/zinc/64/65/44/815646544.db2.gz HMMYCDCCXHDWMZ-GLQYFDAESA-N 2 2 295.383 -0.260 20 0 CBADLP COC(=O)[C@]1(C)CCCN(C(=O)C2([NH3+])CC[NH2+]CC2)C1 ZINC001160636619 815647655 /nfs/dbraw/zinc/64/76/55/815647655.db2.gz PMOSPGHEXKXIAH-CYBMUJFWSA-N 2 2 283.372 -0.131 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CC(C)([NH+](C)C)C1 ZINC001160644490 815650660 /nfs/dbraw/zinc/65/06/60/815650660.db2.gz DIXIYHINBNPCQR-NSHDSACASA-N 3 2 265.361 -0.548 20 0 CBADLP CO[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)C1 ZINC001160647460 815651432 /nfs/dbraw/zinc/65/14/32/815651432.db2.gz KMNLSECDURHMOY-WHOHXGKFSA-N 2 2 253.346 -0.426 20 0 CBADLP CO[C@@H]1CCCN(C(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)C1 ZINC001160647211 815652173 /nfs/dbraw/zinc/65/21/73/815652173.db2.gz AYYARYSWALUNAA-DMDPSCGWSA-N 2 2 253.346 -0.425 20 0 CBADLP C[C@@H]1C[C@H](O)CCN1C(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160655816 815653372 /nfs/dbraw/zinc/65/33/72/815653372.db2.gz PKFHWIXHESEUBA-LSCVPOLPSA-N 2 2 253.346 -0.690 20 0 CBADLP CC(C)[C@@H]1COCCN1C(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160670333 815655825 /nfs/dbraw/zinc/65/58/25/815655825.db2.gz XCEMLSZLNLUCLE-MBNYWOFBSA-N 2 2 267.373 -0.179 20 0 CBADLP CCN(CC(=O)OC(C)(C)C)C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001160679580 815655875 /nfs/dbraw/zinc/65/58/75/815655875.db2.gz CMGBQLJJCYHVCF-UWVGGRQHSA-N 2 2 271.361 -0.277 20 0 CBADLP [NH3+]C[C@H](O)CC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001160689584 815656736 /nfs/dbraw/zinc/65/67/36/815656736.db2.gz PFSXDFQUUVDUCX-NXEZZACHSA-N 2 2 252.318 -0.175 20 0 CBADLP CN(CCC1OCCO1)C(=O)C1([NH3+])CC[NH2+]CC1 ZINC001160684478 815656998 /nfs/dbraw/zinc/65/69/98/815656998.db2.gz VUFNCWNAVIUOLL-UHFFFAOYSA-N 2 2 257.334 -0.711 20 0 CBADLP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001160688732 815657104 /nfs/dbraw/zinc/65/71/04/815657104.db2.gz GBDHVFBNAYITOV-RYUDHWBXSA-N 3 2 289.383 -0.075 20 0 CBADLP CN(C[C@@H]1CCC[NH2+]C1)C(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160695650 815658615 /nfs/dbraw/zinc/65/86/15/815658615.db2.gz NYPKHXPUUVMDOR-MBNYWOFBSA-N 3 2 266.389 -0.604 20 0 CBADLP CN(C[C@@H]1CCC[NH2+]C1)C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001160695052 815658742 /nfs/dbraw/zinc/65/87/42/815658742.db2.gz HDZKTCZKHGZERQ-YPMHNXCESA-N 3 2 279.388 -0.252 20 0 CBADLP O=C(N1CCO[C@H](C(F)(F)F)C1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160704994 815661571 /nfs/dbraw/zinc/66/15/71/815661571.db2.gz JWHNLTHTEINXDX-ATZCPNFKSA-N 2 2 293.289 -0.272 20 0 CBADLP [NH3+]C1(C(=O)N2CCC(n3cnnc3)CC2)CC[NH2+]CC1 ZINC001160722590 815663256 /nfs/dbraw/zinc/66/32/56/815663256.db2.gz QPGFOTWNNBGRKG-UHFFFAOYSA-N 2 2 278.360 -0.478 20 0 CBADLP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCc2[nH+]ccn2CC1 ZINC001160761025 815668846 /nfs/dbraw/zinc/66/88/46/815668846.db2.gz UEZPSKBZSTTYAQ-SNVBAGLBSA-N 3 2 251.334 -0.666 20 0 CBADLP COC(=O)C[C@H]1CCCN(C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])C1 ZINC001160833582 815675947 /nfs/dbraw/zinc/67/59/47/815675947.db2.gz REWPLPUOOSMQCZ-VWYCJHECSA-N 2 2 269.345 -0.665 20 0 CBADLP O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001160848453 815678703 /nfs/dbraw/zinc/67/87/03/815678703.db2.gz GBHMZDAPKUBXMI-GHMZBOCLSA-N 2 2 264.329 -0.162 20 0 CBADLP O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC001160848453 815678707 /nfs/dbraw/zinc/67/87/07/815678707.db2.gz GBHMZDAPKUBXMI-GHMZBOCLSA-N 2 2 264.329 -0.162 20 0 CBADLP N[C@@H](C[NH3+])C(=O)N1CC[N@@H+]2CCc3ccccc3[C@@H]2C1 ZINC001160848687 815678934 /nfs/dbraw/zinc/67/89/34/815678934.db2.gz HGKRXFMCGYILQC-KBPBESRZSA-N 2 2 274.368 -0.286 20 0 CBADLP N[C@@H](C[NH3+])C(=O)N1CC[N@H+]2CCc3ccccc3[C@@H]2C1 ZINC001160848687 815678938 /nfs/dbraw/zinc/67/89/38/815678938.db2.gz HGKRXFMCGYILQC-KBPBESRZSA-N 2 2 274.368 -0.286 20 0 CBADLP O=C(N(CCO)CC(F)(F)F)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160908999 815686428 /nfs/dbraw/zinc/68/64/28/815686428.db2.gz HZIACDMETYJHCZ-WPRPVWTQSA-N 2 2 281.278 -0.679 20 0 CBADLP COC1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001160909509 815687025 /nfs/dbraw/zinc/68/70/25/815687025.db2.gz YCEQJRAIJVFLSN-CFKCVQHJSA-N 2 2 253.346 -0.299 20 0 CBADLP O=C(N(CCO)CC(F)(F)F)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160908997 815687455 /nfs/dbraw/zinc/68/74/55/815687455.db2.gz HZIACDMETYJHCZ-SCZZXKLOSA-N 2 2 281.278 -0.679 20 0 CBADLP NC(=O)[C@@H]1CCCN1c1cc(NC/C=C/C[NH3+])[nH+]cn1 ZINC001160982420 815692633 /nfs/dbraw/zinc/69/26/33/815692633.db2.gz KSHAMRZFVQUMLW-YOLVWIGZSA-N 2 2 276.344 -0.143 20 0 CBADLP NC(=O)[C@@H]1CCCN1c1cc(NC/C=C/C[NH3+])nc[nH+]1 ZINC001160982420 815692638 /nfs/dbraw/zinc/69/26/38/815692638.db2.gz KSHAMRZFVQUMLW-YOLVWIGZSA-N 2 2 276.344 -0.143 20 0 CBADLP O=C1COc2cc[nH+]c(NCCN3CC[NH2+]CC3=O)c2N1 ZINC001161018733 815696298 /nfs/dbraw/zinc/69/62/98/815696298.db2.gz BIOHCCTZXZJPNI-UHFFFAOYSA-N 2 2 291.311 -0.744 20 0 CBADLP COC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@H]([N@H+](C)C(C)C)C1 ZINC001161049683 815704170 /nfs/dbraw/zinc/70/41/70/815704170.db2.gz HKIJYYLGZFJUEM-QWRGUYRKSA-N 2 2 271.361 -0.182 20 0 CBADLP COC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@H]([N@@H+](C)C(C)C)C1 ZINC001161049683 815704177 /nfs/dbraw/zinc/70/41/77/815704177.db2.gz HKIJYYLGZFJUEM-QWRGUYRKSA-N 2 2 271.361 -0.182 20 0 CBADLP CC(C)[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)C1 ZINC001161051127 815705461 /nfs/dbraw/zinc/70/54/61/815705461.db2.gz SQPUROZGSOWXGK-WOPDTQHZSA-N 3 2 254.378 -0.383 20 0 CBADLP CC(C)[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)C1 ZINC001161051127 815705464 /nfs/dbraw/zinc/70/54/64/815705464.db2.gz SQPUROZGSOWXGK-WOPDTQHZSA-N 3 2 254.378 -0.383 20 0 CBADLP CC(C)[N@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])C1 ZINC001161051397 815706097 /nfs/dbraw/zinc/70/60/97/815706097.db2.gz VAMGEVYTPADCQF-SRVKXCTJSA-N 3 2 254.378 -0.526 20 0 CBADLP CC(C)[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])C1 ZINC001161051397 815706104 /nfs/dbraw/zinc/70/61/04/815706104.db2.gz VAMGEVYTPADCQF-SRVKXCTJSA-N 3 2 254.378 -0.526 20 0 CBADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@]34CC[C@@H]([NH2+]3)[C@H]([NH3+])C4)C[C@@H]21 ZINC001161081016 815709366 /nfs/dbraw/zinc/70/93/66/815709366.db2.gz CEFSPSSNKWBEOE-NTASLKFISA-N 3 2 278.400 -0.239 20 0 CBADLP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@]34CC[C@@H]([NH2+]3)[C@H]([NH3+])C4)C[C@@H]21 ZINC001161081016 815709371 /nfs/dbraw/zinc/70/93/71/815709371.db2.gz CEFSPSSNKWBEOE-NTASLKFISA-N 3 2 278.400 -0.239 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1C[C@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001161084010 815711368 /nfs/dbraw/zinc/71/13/68/815711368.db2.gz VYGYDYSEVUABPP-KWCYVHTRSA-N 3 2 291.399 -0.158 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1C[C@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001161084010 815711372 /nfs/dbraw/zinc/71/13/72/815711372.db2.gz VYGYDYSEVUABPP-KWCYVHTRSA-N 3 2 291.399 -0.158 20 0 CBADLP CCOC(=O)[C@H]1COCCN1C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001161093693 815714497 /nfs/dbraw/zinc/71/44/97/815714497.db2.gz VKQGTWRZIOMGKB-WDEREUQCSA-N 2 2 296.327 -0.930 20 0 CBADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@H]([NH3+])c2ccccc2)C1 ZINC001161137096 815718515 /nfs/dbraw/zinc/71/85/15/815718515.db2.gz BVMVBFMRXXZPDV-RISCZKNCSA-N 2 2 277.324 -0.211 20 0 CBADLP COC(=O)[C@]1([NH3+])CCN(C(=O)CC2CC[NH2+]CC2)C1 ZINC001161137788 815719139 /nfs/dbraw/zinc/71/91/39/815719139.db2.gz HBIBGUVRLXWICH-ZDUSSCGKSA-N 2 2 269.345 -0.521 20 0 CBADLP CCN(CCC(=O)OC)C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001161131944 815719224 /nfs/dbraw/zinc/71/92/24/815719224.db2.gz LVSFZMWTSUTDEX-BREBYQMCSA-N 2 2 269.345 -0.380 20 0 CBADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)[C@](C)([NH3+])CC(C)C)C1 ZINC001161138507 815719862 /nfs/dbraw/zinc/71/98/62/815719862.db2.gz BVAXMHPBGRZVPY-CHWSQXEVSA-N 2 2 271.361 -0.147 20 0 CBADLP CCN(C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2)C1C[NH+](C)C1 ZINC001161138310 815720061 /nfs/dbraw/zinc/72/00/61/815720061.db2.gz RLVBADOTEZZEDE-BXUZGUMPSA-N 3 2 266.389 -0.652 20 0 CBADLP CCN(C(=O)CN1CCCC[C@H]([NH3+])C1=O)C1C[NH+](C)C1 ZINC001161138218 815720298 /nfs/dbraw/zinc/72/02/98/815720298.db2.gz PTXAFQXCQOKNCJ-LBPRGKRZSA-N 2 2 282.388 -0.511 20 0 CBADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)C[C@@H]([NH3+])C(C)(C)C)C1 ZINC001161138834 815720759 /nfs/dbraw/zinc/72/07/59/815720759.db2.gz FDVJCAJXBLOUSW-NOZJJQNGSA-N 2 2 271.361 -0.147 20 0 CBADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC001161138150 815720779 /nfs/dbraw/zinc/72/07/79/815720779.db2.gz ODHQIXBAEGKPFR-JOYOIKCWSA-N 2 2 255.318 -0.769 20 0 CBADLP COC(=O)[C@]1([NH3+])CCN(C(=O)C2CC3(C[NH2+]C3)C2)C1 ZINC001161138377 815720797 /nfs/dbraw/zinc/72/07/97/815720797.db2.gz SYOYAGVHNPQBAY-ZDUSSCGKSA-N 2 2 267.329 -0.911 20 0 CBADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@@H]2CCC[NH2+][C@H]2C)C1 ZINC001161138319 815721075 /nfs/dbraw/zinc/72/10/75/815721075.db2.gz RTAMPNYBOHTIQB-CWSCBRNRSA-N 2 2 269.345 -0.523 20 0 CBADLP CO[C@H](C)C1CN(C(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)C1 ZINC001161146859 815721722 /nfs/dbraw/zinc/72/17/22/815721722.db2.gz SOSVJXBZNXKQQX-XWIASGKRSA-N 2 2 253.346 -0.569 20 0 CBADLP [NH3+]C1(C(=O)N2Cc3ccnn3CC[C@@H]2CO)CC[NH2+]CC1 ZINC001161172872 815724431 /nfs/dbraw/zinc/72/44/31/815724431.db2.gz XXGHSSTUOOJGQL-GFCCVEGCSA-N 2 2 293.371 -0.943 20 0 CBADLP CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])C[C@H]2C1 ZINC001161175236 815725233 /nfs/dbraw/zinc/72/52/33/815725233.db2.gz JFRSNMVFWDEYLS-RNJOBUHISA-N 3 2 266.389 -0.667 20 0 CBADLP CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])C[C@H]2C1 ZINC001161175236 815725236 /nfs/dbraw/zinc/72/52/36/815725236.db2.gz JFRSNMVFWDEYLS-RNJOBUHISA-N 3 2 266.389 -0.667 20 0 CBADLP C[C@@H](O)C[NH2+]CCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001161215196 815728858 /nfs/dbraw/zinc/72/88/58/815728858.db2.gz MWGKFOWRURJKIZ-VXGBXAGGSA-N 2 2 280.372 -0.078 20 0 CBADLP C[C@H](O)C[NH2+]CCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001161215195 815728910 /nfs/dbraw/zinc/72/89/10/815728910.db2.gz MWGKFOWRURJKIZ-RYUDHWBXSA-N 2 2 280.372 -0.078 20 0 CBADLP C[C@H]1CN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)C[C@H](C)[NH2+]1 ZINC001161229306 815730912 /nfs/dbraw/zinc/73/09/12/815730912.db2.gz ISGTWJMIAYPCMS-UHFZAUJKSA-N 3 2 252.362 -0.855 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CC[C@@](F)(C[NH3+])C1 ZINC001161238859 815732360 /nfs/dbraw/zinc/73/23/60/815732360.db2.gz DSAJQIXDLKNQJY-CMPLNLGQSA-N 3 2 269.324 -0.811 20 0 CBADLP COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1CC[NH2+]C[C@@H]1F ZINC001161238411 815732553 /nfs/dbraw/zinc/73/25/53/815732553.db2.gz SYZIZWXOEGGMIR-DCAQKATOSA-N 2 2 287.335 -0.750 20 0 CBADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]1CC[NH2+]C[C@@H]1F ZINC001161238411 815732556 /nfs/dbraw/zinc/73/25/56/815732556.db2.gz SYZIZWXOEGGMIR-DCAQKATOSA-N 2 2 287.335 -0.750 20 0 CBADLP [NH3+]C[C@@]1(F)CCN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)C1 ZINC001161239891 815734571 /nfs/dbraw/zinc/73/45/71/815734571.db2.gz SZAHVDWPRQHGFY-LSKIRQOJSA-N 3 2 256.325 -0.893 20 0 CBADLP O=C(NCCC[NH2+]CCO)[C@H]1CCc2c[nH+]cn2C1 ZINC001161323535 815739818 /nfs/dbraw/zinc/73/98/18/815739818.db2.gz MZIXFIPKNGUTMR-NSHDSACASA-N 2 2 266.345 -0.466 20 0 CBADLP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CC[C@@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161376796 815748137 /nfs/dbraw/zinc/74/81/37/815748137.db2.gz DJFTVRGQKFUCTF-KGLIPLIRSA-N 4 2 297.447 -0.533 20 0 CBADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC001161412046 815751423 /nfs/dbraw/zinc/75/14/23/815751423.db2.gz FKLXWOSKLZKZHL-PDEGPIFNSA-N 3 2 263.345 -0.525 20 0 CBADLP [NH3+][C@@H]1CC[C@H]2CN(C(=O)[C@@H]3C[C@H]4C[NH2+]C[C@H]4[NH2+]3)C[C@@H]12 ZINC001161413251 815751630 /nfs/dbraw/zinc/75/16/30/815751630.db2.gz ODAXUXCSXHHVAB-RQVGPUOWSA-N 3 2 264.373 -0.868 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC001161412011 815751881 /nfs/dbraw/zinc/75/18/81/815751881.db2.gz FCMVHQFADSIXLG-BQUFFADESA-N 3 2 277.372 -0.514 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC001161412012 815752030 /nfs/dbraw/zinc/75/20/30/815752030.db2.gz FCMVHQFADSIXLG-RYDUCSDGSA-N 3 2 277.372 -0.514 20 0 CBADLP [NH3+][C@@H]1C[C@]2(C(=O)N3C[C@H]4CC[C@@H]([NH3+])[C@@H]4C3)CC[C@H]1[NH2+]2 ZINC001161412433 815752139 /nfs/dbraw/zinc/75/21/39/815752139.db2.gz KGSFZIPCGGQUNC-MDVDOTDZSA-N 3 2 264.373 -0.596 20 0 CBADLP O=C([C@@H](CO)n1cc[nH+]c1)N1CC[NH2+]C2(CC2)C1 ZINC001161545716 815769044 /nfs/dbraw/zinc/76/90/44/815769044.db2.gz YYLZBSYFOCNMEA-SNVBAGLBSA-N 2 2 250.302 -0.619 20 0 CBADLP C[NH+]1CCN(CC(=O)N2CC[NH2+]C3(CC3)C2)CC1 ZINC001161544659 815770237 /nfs/dbraw/zinc/77/02/37/815770237.db2.gz DQHNUTSEPBHIIV-UHFFFAOYSA-N 2 2 252.362 -0.802 20 0 CBADLP Cc1c[nH+]c(N2CCC(C[NH3+])CC2)nc1NCC(N)=O ZINC001161837370 815789579 /nfs/dbraw/zinc/78/95/79/815789579.db2.gz KWMQAWWFJZWVJQ-UHFFFAOYSA-N 2 2 278.360 -0.143 20 0 CBADLP CCOC(=O)[C@H]([NH3+])CNc1cncc(N2CC[NH2+]CC2)n1 ZINC001161949878 815795880 /nfs/dbraw/zinc/79/58/80/815795880.db2.gz DDWDWTXPXFFUCJ-SNVBAGLBSA-N 2 2 294.359 -0.812 20 0 CBADLP C[C@H](O)C[NH2+]CCCNC(=O)CCc1[nH+]ccn1C ZINC001163044120 815855302 /nfs/dbraw/zinc/85/53/02/815855302.db2.gz JZCQXJAWCHUZQB-NSHDSACASA-N 2 2 268.361 -0.171 20 0 CBADLP O=C1C[C@@H]2[NH2+]CC[C@@]2(Nc2c[nH+]c3c(c2)CCCN3)N1 ZINC001163253541 815875075 /nfs/dbraw/zinc/87/50/75/815875075.db2.gz GKJHNNWJMMIMSG-SMDDNHRTSA-N 2 2 273.340 -0.283 20 0 CBADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NCCC[NH2+]CCO ZINC001163275046 815876297 /nfs/dbraw/zinc/87/62/97/815876297.db2.gz OAADSLVZZWVRQH-ZDUSSCGKSA-N 2 2 287.404 -0.425 20 0 CBADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NCCC[NH2+]CCO ZINC001163275046 815876303 /nfs/dbraw/zinc/87/63/03/815876303.db2.gz OAADSLVZZWVRQH-ZDUSSCGKSA-N 2 2 287.404 -0.425 20 0 CBADLP C[N@H+](CC(=O)NCCNC(=O)Cc1[nH]cc[nH+]1)C1CCC1 ZINC001292885723 816490385 /nfs/dbraw/zinc/49/03/85/816490385.db2.gz MQQNLUKEVFITFD-UHFFFAOYSA-N 2 2 293.371 -0.331 20 0 CBADLP C[N@@H+](CC(=O)NCCNC(=O)Cc1[nH]cc[nH+]1)C1CCC1 ZINC001292885723 816490392 /nfs/dbraw/zinc/49/03/92/816490392.db2.gz MQQNLUKEVFITFD-UHFFFAOYSA-N 2 2 293.371 -0.331 20 0 CBADLP CC[C@H](C(=O)N1CC[NH+](CCCNC(C)=O)CC1)[NH+](C)C ZINC001294645586 816542045 /nfs/dbraw/zinc/54/20/45/816542045.db2.gz QCVLCRCAOJKHTO-CQSZACIVSA-N 2 2 298.431 -0.003 20 0 CBADLP C[NH+]1CCC([NH2+]CCS(=O)(=O)NC2CC2)CC1 ZINC001308976497 816829057 /nfs/dbraw/zinc/82/90/57/816829057.db2.gz WQJZBUHTEJHRSR-UHFFFAOYSA-N 2 2 261.391 -0.248 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H]1C[C@@H]([NH2+]CCO)C1 ZINC001316621544 816872595 /nfs/dbraw/zinc/87/25/95/816872595.db2.gz GYDGMLOEAFONJW-AOOOYVTPSA-N 2 2 252.318 -0.571 20 0 CBADLP C[N@H+](CCCNC(=O)CCn1cc[nH+]c1)[C@H]1CCNC1=O ZINC001316840106 816890226 /nfs/dbraw/zinc/89/02/26/816890226.db2.gz VYGYFRQRBSCPPB-LBPRGKRZSA-N 2 2 293.371 -0.400 20 0 CBADLP C[N@@H+](CCCNC(=O)CCn1cc[nH+]c1)[C@H]1CCNC1=O ZINC001316840106 816890233 /nfs/dbraw/zinc/89/02/33/816890233.db2.gz VYGYFRQRBSCPPB-LBPRGKRZSA-N 2 2 293.371 -0.400 20 0 CBADLP CC[N@H+](CCCNC(=O)Cn1cc[nH+]c1)CC(N)=O ZINC001316911342 816903390 /nfs/dbraw/zinc/90/33/90/816903390.db2.gz PNQWZLSHUDVJJT-UHFFFAOYSA-N 2 2 267.333 -0.803 20 0 CBADLP CC[N@@H+](CCCNC(=O)Cn1cc[nH+]c1)CC(N)=O ZINC001316911342 816903392 /nfs/dbraw/zinc/90/33/92/816903392.db2.gz PNQWZLSHUDVJJT-UHFFFAOYSA-N 2 2 267.333 -0.803 20 0 CBADLP NC(=O)C[N@@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001316994174 816917506 /nfs/dbraw/zinc/91/75/06/816917506.db2.gz JKKCUWFSBFZICK-ZDUSSCGKSA-N 2 2 296.415 -0.072 20 0 CBADLP NC(=O)C[N@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001316994174 816917509 /nfs/dbraw/zinc/91/75/09/816917509.db2.gz JKKCUWFSBFZICK-ZDUSSCGKSA-N 2 2 296.415 -0.072 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH2+]CCO ZINC001317272746 816956883 /nfs/dbraw/zinc/95/68/83/816956883.db2.gz VYUCHXOSNGWPQO-HBNTYKKESA-N 2 2 266.345 -0.390 20 0 CBADLP C[C@H]([NH2+]CCN(C)C(=O)CCc1c[nH]c[nH+]1)C(N)=O ZINC001317593944 817025973 /nfs/dbraw/zinc/02/59/73/817025973.db2.gz QKBCFPUHYLXHNS-VIFPVBQESA-N 2 2 267.333 -0.736 20 0 CBADLP C[C@H]([NH2+]CCN(C)C(=O)CCc1c[nH+]c[nH]1)C(N)=O ZINC001317593944 817025983 /nfs/dbraw/zinc/02/59/83/817025983.db2.gz QKBCFPUHYLXHNS-VIFPVBQESA-N 2 2 267.333 -0.736 20 0 CBADLP C[C@@H]([NH2+]CCN(C)C(=O)CCc1c[nH]c[nH+]1)C(N)=O ZINC001317593942 817026334 /nfs/dbraw/zinc/02/63/34/817026334.db2.gz QKBCFPUHYLXHNS-SECBINFHSA-N 2 2 267.333 -0.736 20 0 CBADLP C[C@@H]([NH2+]CCN(C)C(=O)CCc1c[nH+]c[nH]1)C(N)=O ZINC001317593942 817026337 /nfs/dbraw/zinc/02/63/37/817026337.db2.gz QKBCFPUHYLXHNS-SECBINFHSA-N 2 2 267.333 -0.736 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N(C)CC[NH2+]Cc1cnon1 ZINC001317610454 817030104 /nfs/dbraw/zinc/03/01/04/817030104.db2.gz JXINFPDHODPMMC-UHFFFAOYSA-N 2 2 278.316 -0.177 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)N(C)CC[NH2+]Cc2ccon2)C1 ZINC001317664904 817041652 /nfs/dbraw/zinc/04/16/52/817041652.db2.gz OSAGYIRSGDCMSU-CYBMUJFWSA-N 2 2 296.371 -0.057 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)N(C)CC[NH2+]Cc2ccon2)C1 ZINC001317664904 817041658 /nfs/dbraw/zinc/04/16/58/817041658.db2.gz OSAGYIRSGDCMSU-CYBMUJFWSA-N 2 2 296.371 -0.057 20 0 CBADLP O=C(CC[NH+]1CCCCC1)NC1C[NH+](CCOCCO)C1 ZINC001318089206 817074562 /nfs/dbraw/zinc/07/45/62/817074562.db2.gz LVKHVAZNDBHOTL-UHFFFAOYSA-N 2 2 299.415 -0.328 20 0 CBADLP CN1CC[NH+](CCCCNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001318912924 817148076 /nfs/dbraw/zinc/14/80/76/817148076.db2.gz VWYIXEFZSWHIMY-CQSZACIVSA-N 2 2 298.431 -0.539 20 0 CBADLP CN1CC[NH+](CCCCNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001318912924 817148081 /nfs/dbraw/zinc/14/80/81/817148081.db2.gz VWYIXEFZSWHIMY-CQSZACIVSA-N 2 2 298.431 -0.539 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)C[NH2+]CCO ZINC001319271801 817183435 /nfs/dbraw/zinc/18/34/35/817183435.db2.gz MPZJZODCEHPQCW-SECBINFHSA-N 2 2 254.334 -0.405 20 0 CBADLP C[C@H](C(=O)NC[C@](C)(O)C[NH+](C)C)n1cc[nH+]c1 ZINC001319534218 817216485 /nfs/dbraw/zinc/21/64/85/817216485.db2.gz AAMPYNYKZBPOAO-PWSUYJOCSA-N 2 2 254.334 -0.127 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]([NH2+]CCO)C(C)C ZINC001319958577 817259590 /nfs/dbraw/zinc/25/95/90/817259590.db2.gz UGPHAUPMHAYMLU-LBPRGKRZSA-N 2 2 268.361 -0.017 20 0 CBADLP C[C@H](C(=O)NC[C@]1(O)CC[N@H+](C)C1)n1cc[nH+]c1 ZINC001320222643 817297405 /nfs/dbraw/zinc/29/74/05/817297405.db2.gz FDOGANZNUCLKBW-ZYHUDNBSSA-N 2 2 252.318 -0.373 20 0 CBADLP C[C@H](C(=O)NC[C@]1(O)CC[N@@H+](C)C1)n1cc[nH+]c1 ZINC001320222643 817297407 /nfs/dbraw/zinc/29/74/07/817297407.db2.gz FDOGANZNUCLKBW-ZYHUDNBSSA-N 2 2 252.318 -0.373 20 0 CBADLP C[C@@H](C(=O)NC[C@@]1(O)CC[N@H+](C)C1)n1cc[nH+]c1 ZINC001320222641 817297631 /nfs/dbraw/zinc/29/76/31/817297631.db2.gz FDOGANZNUCLKBW-JQWIXIFHSA-N 2 2 252.318 -0.373 20 0 CBADLP C[C@@H](C(=O)NC[C@@]1(O)CC[N@@H+](C)C1)n1cc[nH+]c1 ZINC001320222641 817297636 /nfs/dbraw/zinc/29/76/36/817297636.db2.gz FDOGANZNUCLKBW-JQWIXIFHSA-N 2 2 252.318 -0.373 20 0 CBADLP C[C@H](CC[NH2+]Cc1ccon1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001320375466 817328703 /nfs/dbraw/zinc/32/87/03/817328703.db2.gz IIIWUQFTSJTTHD-YPMHNXCESA-N 2 2 296.371 -0.010 20 0 CBADLP C[C@H](CC[NH2+]Cc1ccon1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001320375466 817328711 /nfs/dbraw/zinc/32/87/11/817328711.db2.gz IIIWUQFTSJTTHD-YPMHNXCESA-N 2 2 296.371 -0.010 20 0 CBADLP C[C@@H](CC[NH2+]CCO)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001320467764 817341669 /nfs/dbraw/zinc/34/16/69/817341669.db2.gz DZZRBAKBXLGKDY-NWDGAFQWSA-N 2 2 280.372 -0.078 20 0 CBADLP C[NH+](C)C[C@](C)(O)CNC(=O)CCc1[nH]cc[nH+]1 ZINC001321134023 817447813 /nfs/dbraw/zinc/44/78/13/817447813.db2.gz WSHXNLZAKGREDH-GFCCVEGCSA-N 2 2 254.334 -0.229 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC/C=C/C[NH2+][C@H]1CCNC1=O ZINC001321340081 817485507 /nfs/dbraw/zinc/48/55/07/817485507.db2.gz XUSOWKZQHYOAHV-JDGPPOGSSA-N 2 2 291.355 -0.887 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC/C=C/C[NH2+][C@@H]1CCNC1=O ZINC001321340082 817485648 /nfs/dbraw/zinc/48/56/48/817485648.db2.gz XUSOWKZQHYOAHV-QAVQXKDTSA-N 2 2 291.355 -0.887 20 0 CBADLP C[N@@H+]1CCO[C@H](CNC[C@H](O)C[NH2+]C(C)(C)C)C1 ZINC001253405719 825914195 /nfs/dbraw/zinc/91/41/95/825914195.db2.gz LWURSUDMEXOFLT-NWDGAFQWSA-N 2 2 259.394 -0.344 20 0 CBADLP C[N@H+]1CCO[C@H](CNC[C@H](O)C[NH2+]C(C)(C)C)C1 ZINC001253405719 825914198 /nfs/dbraw/zinc/91/41/98/825914198.db2.gz LWURSUDMEXOFLT-NWDGAFQWSA-N 2 2 259.394 -0.344 20 0 CBADLP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001269186729 827472347 /nfs/dbraw/zinc/47/23/47/827472347.db2.gz FKYTWWGHLYBXKP-SNVBAGLBSA-N 2 2 256.350 -0.996 20 0 CBADLP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001269186729 827472354 /nfs/dbraw/zinc/47/23/54/827472354.db2.gz FKYTWWGHLYBXKP-SNVBAGLBSA-N 2 2 256.350 -0.996 20 0 CBADLP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001269186729 827472357 /nfs/dbraw/zinc/47/23/57/827472357.db2.gz FKYTWWGHLYBXKP-SNVBAGLBSA-N 2 2 256.350 -0.996 20 0 CBADLP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001269186729 827472363 /nfs/dbraw/zinc/47/23/63/827472363.db2.gz FKYTWWGHLYBXKP-SNVBAGLBSA-N 2 2 256.350 -0.996 20 0 CBADLP COCCOc1cc(N(CC[NH3+])CCO)cc[nH+]1 ZINC001163836672 819858218 /nfs/dbraw/zinc/85/82/18/819858218.db2.gz ZIQLICZFJPPRFW-UHFFFAOYSA-N 2 2 255.318 -0.136 20 0 CBADLP CN(c1c[nH+]c2c(c1)CCCN2)S(=O)(=O)CC[NH3+] ZINC001164300543 819905062 /nfs/dbraw/zinc/90/50/62/819905062.db2.gz RZMLJIGMOWRBOL-UHFFFAOYSA-N 2 2 270.358 -0.230 20 0 CBADLP C[NH+]1CCN(c2cccc(N3CCO[C@H](C[NH3+])C3)[nH+]2)CC1 ZINC001165117905 819939937 /nfs/dbraw/zinc/93/99/37/819939937.db2.gz DRGOVVJHCZRKKD-CYBMUJFWSA-N 3 2 291.399 -0.003 20 0 CBADLP CN(C)c1cc(N2C[C@H]3C[NH2+]C[C@@]3(CO)C2)nc[nH+]1 ZINC001165282232 819945928 /nfs/dbraw/zinc/94/59/28/819945928.db2.gz VUMCYBJTMMRUOX-MFKMUULPSA-N 2 2 263.345 -0.439 20 0 CBADLP CN(C)c1cc(N2C[C@H]3C[NH2+]C[C@@]3(CO)C2)[nH+]cn1 ZINC001165282232 819945933 /nfs/dbraw/zinc/94/59/33/819945933.db2.gz VUMCYBJTMMRUOX-MFKMUULPSA-N 2 2 263.345 -0.439 20 0 CBADLP Cc1cc(N2CCNC(=O)C23C[NH2+]C3)nc(C2CC2)[nH+]1 ZINC001165300686 819952856 /nfs/dbraw/zinc/95/28/56/819952856.db2.gz INFLCCAXPXBAND-UHFFFAOYSA-N 2 2 273.340 -0.059 20 0 CBADLP Cc1[nH+]c2c(n1-c1ccc(C(N)=O)nn1)CC[NH2+]CC2 ZINC001165352646 819957007 /nfs/dbraw/zinc/95/70/07/819957007.db2.gz ZBWULTNNRULKJR-UHFFFAOYSA-N 2 2 272.312 -0.242 20 0 CBADLP NC(=O)[C@H]1CN(c2ccc(N3CC[NH2+]CC3)c[nH+]2)CCO1 ZINC001167075451 820066666 /nfs/dbraw/zinc/06/66/66/820066666.db2.gz UCLULIFXUAZIFL-GFCCVEGCSA-N 2 2 291.355 -0.818 20 0 CBADLP N=c1cc(C[NH3+])ncn1-c1nc(Cl)nc2c1C[NH2+]C2 ZINC001167347783 820080999 /nfs/dbraw/zinc/08/09/99/820080999.db2.gz BINFOFCRGBAGDU-UHFFFAOYSA-N 2 2 277.719 -0.143 20 0 CBADLP CN1CC[C@@H]([NH2+]CCCNC(=O)Cc2c[nH]c[nH+]2)C1=O ZINC001167349588 820082461 /nfs/dbraw/zinc/08/24/61/820082461.db2.gz BWZSVSKGSXGCSU-LLVKDONJSA-N 2 2 279.344 -0.721 20 0 CBADLP CC[C@@H]([NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1)C(N)=O ZINC001167350031 820083450 /nfs/dbraw/zinc/08/34/50/820083450.db2.gz OOLVFGIOLKUZBM-SNVBAGLBSA-N 2 2 267.333 -0.688 20 0 CBADLP CC[C@@H](C)NC(=O)C[NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001167355701 820085434 /nfs/dbraw/zinc/08/54/34/820085434.db2.gz WJJAWPCSDBSMGB-LLVKDONJSA-N 2 2 295.387 -0.037 20 0 CBADLP Cn1ccc(C[NH2+]CCCNC(=O)Cc2c[nH]c[nH+]2)n1 ZINC001167355442 820086102 /nfs/dbraw/zinc/08/61/02/820086102.db2.gz IFFYFNLVZSMMIF-UHFFFAOYSA-N 2 2 276.344 -0.018 20 0 CBADLP CNC(=O)C[NH2+]CCCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001167429435 820089571 /nfs/dbraw/zinc/08/95/71/820089571.db2.gz SPPQCOIJRZTIDG-NSHDSACASA-N 2 2 281.360 -0.324 20 0 CBADLP CNC(=O)C[NH2+]CC1(CCNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001167528836 820100441 /nfs/dbraw/zinc/10/04/41/820100441.db2.gz MZUJYBYRSWCQSU-UHFFFAOYSA-N 2 2 293.371 -0.426 20 0 CBADLP C[C@@H]([NH2+]CC1(CCNC(=O)Cc2[nH]cc[nH+]2)CC1)C(N)=O ZINC001167528764 820100833 /nfs/dbraw/zinc/10/08/33/820100833.db2.gz JGIVHNKBWCVXJG-SNVBAGLBSA-N 2 2 293.371 -0.298 20 0 CBADLP O=C1CC[C@@H](Nc2[nH+]cccc2N2CC[NH2+]CC2)C(=O)N1 ZINC001167559346 820103364 /nfs/dbraw/zinc/10/33/64/820103364.db2.gz BANOJPWSVRDXTD-SNVBAGLBSA-N 2 2 289.339 -0.292 20 0 CBADLP [NH3+]CCc1nnn(-c2ccc(Cn3cc[nH+]c3)cn2)n1 ZINC001167791255 820118965 /nfs/dbraw/zinc/11/89/65/820118965.db2.gz ZOUGUCYKPQMJOJ-UHFFFAOYSA-N 2 2 270.300 -0.197 20 0 CBADLP NC(=O)[C@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167968342 820137025 /nfs/dbraw/zinc/13/70/25/820137025.db2.gz PTVBKAAXROCLHP-WVMKXHBISA-N 2 2 267.373 -0.172 20 0 CBADLP NC(=O)[C@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167968342 820137030 /nfs/dbraw/zinc/13/70/30/820137030.db2.gz PTVBKAAXROCLHP-WVMKXHBISA-N 2 2 267.373 -0.172 20 0 CBADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCC[NH2+]CC(=O)N(C)C ZINC001167977019 820137124 /nfs/dbraw/zinc/13/71/24/820137124.db2.gz FPARUIKPIUTVDY-NSHDSACASA-N 2 2 295.387 -0.228 20 0 CBADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCC[NH2+]CC(=O)N(C)C ZINC001167977019 820137129 /nfs/dbraw/zinc/13/71/29/820137129.db2.gz FPARUIKPIUTVDY-NSHDSACASA-N 2 2 295.387 -0.228 20 0 CBADLP CCNC(=O)C[NH2+]CCCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001167979545 820138166 /nfs/dbraw/zinc/13/81/66/820138166.db2.gz UAVJIXFGAADZNW-NSHDSACASA-N 2 2 295.387 -0.180 20 0 CBADLP CCNC(=O)C[NH2+]CCCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001167979545 820138169 /nfs/dbraw/zinc/13/81/69/820138169.db2.gz UAVJIXFGAADZNW-NSHDSACASA-N 2 2 295.387 -0.180 20 0 CBADLP O=C(CC[NH+]1CCOCC1)NCCC[NH2+]Cc1cnon1 ZINC001168416717 820162028 /nfs/dbraw/zinc/16/20/28/820162028.db2.gz CICVTZBOPCXOSR-UHFFFAOYSA-N 2 2 297.359 -0.612 20 0 CBADLP Cn1cc(NC(=[NH2+])N2CC[NH+](C)CC2)ncc1=O ZINC001168735918 820169740 /nfs/dbraw/zinc/16/97/40/820169740.db2.gz IEKHMFXWAWTGKR-UHFFFAOYSA-N 2 2 250.306 -0.626 20 0 CBADLP COC(=O)Cc1ccnc(NC(=[NH2+])N2CC[NH+](C)CC2)n1 ZINC001168736572 820169805 /nfs/dbraw/zinc/16/98/05/820169805.db2.gz OKAXSJZYFXALCI-UHFFFAOYSA-N 2 2 292.343 -0.214 20 0 CBADLP C[NH+]1CCN(C(=[NH2+])Nc2cc3c(nn2)OCCO3)CC1 ZINC001168735087 820170022 /nfs/dbraw/zinc/17/00/22/820170022.db2.gz HMIMZKLVDYEMKE-UHFFFAOYSA-N 2 2 278.316 -0.158 20 0 CBADLP COC(=O)c1nccc(NC(=[NH2+])N2CC[NH+](C)CC2)n1 ZINC001168746307 820171163 /nfs/dbraw/zinc/17/11/63/820171163.db2.gz IYJCXGIPCLQLLK-UHFFFAOYSA-N 2 2 278.316 -0.721 20 0 CBADLP C[NH+]1CCN(c2nccnc2-n2cnc(C[NH3+])n2)CC1 ZINC001168749682 820173161 /nfs/dbraw/zinc/17/31/61/820173161.db2.gz FKSIIEZPBVLFJT-UHFFFAOYSA-N 2 2 274.332 -0.732 20 0 CBADLP COC(=O)[C@@H]([NH3+])Cc1ccc(-n2cnc(C[NH3+])n2)cc1 ZINC001168754816 820173692 /nfs/dbraw/zinc/17/36/92/820173692.db2.gz YLKCRELRICUMFY-NSHDSACASA-N 2 2 275.312 -0.231 20 0 CBADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1nc(Cl)nc2c1C[NH2+]C2 ZINC001169066706 820203627 /nfs/dbraw/zinc/20/36/27/820203627.db2.gz GMZGSQNMQJNJJL-SSDOTTSWSA-N 3 2 294.746 -0.219 20 0 CBADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1c[nH]c2c[nH]c(=O)c-2c1 ZINC001169073768 820204679 /nfs/dbraw/zinc/20/46/79/820204679.db2.gz CBOCEPCLOMURJO-MRVPVSSYSA-N 2 2 273.296 -0.627 20 0 CBADLP COc1nnc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)cc1C ZINC001169071310 820204761 /nfs/dbraw/zinc/20/47/61/820204761.db2.gz JUNPKVXEBJTKKE-SECBINFHSA-N 2 2 263.301 -0.159 20 0 CBADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccc2nncn2c1 ZINC001169074577 820204776 /nfs/dbraw/zinc/20/47/76/820204776.db2.gz SEVGTRKCQPDLRW-SECBINFHSA-N 2 2 258.285 -0.223 20 0 CBADLP Nc1nccc(F)c1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169071437 820204844 /nfs/dbraw/zinc/20/48/44/820204844.db2.gz DLXMHFNPWCPGMR-SSDOTTSWSA-N 2 2 251.265 -0.149 20 0 CBADLP CCOC(=O)c1ccnc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001169074242 820205245 /nfs/dbraw/zinc/20/52/45/820205245.db2.gz HIUUVPYUXDSYRS-SECBINFHSA-N 2 2 291.311 -0.299 20 0 CBADLP Nc1cn2ccc(-n3cncc3C[C@@H]([NH3+])CO)cc2[nH+]1 ZINC001169073963 820205543 /nfs/dbraw/zinc/20/55/43/820205543.db2.gz OMSDLHGGDDNWOA-SECBINFHSA-N 2 2 272.312 -0.036 20 0 CBADLP COC(=O)c1cncc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001169073469 820205670 /nfs/dbraw/zinc/20/56/70/820205670.db2.gz IJZJVADUDSFSHI-MRVPVSSYSA-N 2 2 277.284 -0.689 20 0 CBADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccc2ncnn2c1 ZINC001169071404 820205675 /nfs/dbraw/zinc/20/56/75/820205675.db2.gz CBMNCFLVVNWDER-SECBINFHSA-N 2 2 258.285 -0.223 20 0 CBADLP COc1nc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)cn2ccnc12 ZINC001169074582 820205693 /nfs/dbraw/zinc/20/56/93/820205693.db2.gz SLFYUEVARJTCDF-SECBINFHSA-N 2 2 288.311 -0.214 20 0 CBADLP Cc1nc(C(N)=O)ccc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169075697 820206874 /nfs/dbraw/zinc/20/68/74/820206874.db2.gz VQOUAVQTJNDQGZ-SECBINFHSA-N 2 2 275.312 -0.463 20 0 CBADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cncc2nnoc21 ZINC001169076382 820206901 /nfs/dbraw/zinc/20/69/01/820206901.db2.gz RADHWHMYBBUPKS-SSDOTTSWSA-N 2 2 260.257 -0.334 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](Nc2ncnc3c2C[NH2+]CC3)C[NH2+]1 ZINC001169130154 820211366 /nfs/dbraw/zinc/21/13/66/820211366.db2.gz TVWIBCIMCWPPOW-KCJUWKMLSA-N 2 2 277.328 -0.562 20 0 CBADLP O=C(C[NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1)NC1CC1 ZINC001169205206 820213802 /nfs/dbraw/zinc/21/38/02/820213802.db2.gz VATXNZYCGJAASU-UHFFFAOYSA-N 2 2 279.344 -0.673 20 0 CBADLP CCCNC(=O)[C@H](C)[NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001169228601 820214363 /nfs/dbraw/zinc/21/43/63/820214363.db2.gz MAUPIKJGVXTJSC-NSHDSACASA-N 2 2 295.387 -0.037 20 0 CBADLP Cn1cncc1C[NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001169204791 820214487 /nfs/dbraw/zinc/21/44/87/820214487.db2.gz QRLUTGZZRMKUGD-UHFFFAOYSA-N 2 2 276.344 -0.018 20 0 CBADLP [NH3+]CCOCCOCCNc1cc2c(c[nH+]1)OCC(=O)N2 ZINC001170505986 820296947 /nfs/dbraw/zinc/29/69/47/820296947.db2.gz XTNBTUZQHUQOBP-UHFFFAOYSA-N 2 2 296.327 -0.184 20 0 CBADLP C[C@H](Nc1[nH+]cnc2[nH]cc(C(N)=O)c21)[C@@H]1C[NH2+]CCO1 ZINC001170568242 820309227 /nfs/dbraw/zinc/30/92/27/820309227.db2.gz HTSZZWFKNOETLF-CBAPKCEASA-N 2 2 290.327 -0.154 20 0 CBADLP COC(=O)c1[nH+]ccc(N[C@@H]2C[NH2+]C[C@H]2CO)c1C ZINC001170778934 820321071 /nfs/dbraw/zinc/32/10/71/820321071.db2.gz AYAGSSOAGJMSRD-GXSJLCMTSA-N 2 2 265.313 -0.409 20 0 CBADLP CC[C@@]([NH3+])(CO)Nc1cc(N2CC[NH+](C)CC2)ncn1 ZINC001170856846 820327712 /nfs/dbraw/zinc/32/77/12/820327712.db2.gz BSMLQWKNBQEGHI-ZDUSSCGKSA-N 2 2 280.376 -0.302 20 0 CBADLP CN1CCN(c2cc(N[C@@H]([NH3+])CCC[NH3+])nc[nH+]2)CC1=O ZINC001170898780 820335668 /nfs/dbraw/zinc/33/56/68/820335668.db2.gz VXHJASQKHPAVPY-SNVBAGLBSA-N 3 2 293.375 -0.809 20 0 CBADLP C[C@H]1CC[N@H+](CC(=O)N2CC[NH+](C)[C@H](CO)C2)C1 ZINC001171138272 820347654 /nfs/dbraw/zinc/34/76/54/820347654.db2.gz HDZRZBQQDJACGC-RYUDHWBXSA-N 2 2 255.362 -0.537 20 0 CBADLP C[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)[C@H](CO)C2)C1 ZINC001171138272 820347667 /nfs/dbraw/zinc/34/76/67/820347667.db2.gz HDZRZBQQDJACGC-RYUDHWBXSA-N 2 2 255.362 -0.537 20 0 CBADLP C[C@H]1CC[NH+](CC(=O)N2CC[N@H+](C)[C@H](CO)C2)C1 ZINC001171138272 820347676 /nfs/dbraw/zinc/34/76/76/820347676.db2.gz HDZRZBQQDJACGC-RYUDHWBXSA-N 2 2 255.362 -0.537 20 0 CBADLP C[C@H]1CC[NH+](CC(=O)N2CC[N@@H+](C)[C@H](CO)C2)C1 ZINC001171138272 820347686 /nfs/dbraw/zinc/34/76/86/820347686.db2.gz HDZRZBQQDJACGC-RYUDHWBXSA-N 2 2 255.362 -0.537 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NCCC[NH2+]CCOCCO ZINC001171239239 820354573 /nfs/dbraw/zinc/35/45/73/820354573.db2.gz YPXNNBMDHPCAFS-UHFFFAOYSA-N 2 2 284.360 -0.933 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)Cc1[nH]c[nH+]c1C ZINC001174691433 820415229 /nfs/dbraw/zinc/41/52/29/820415229.db2.gz LQSVOVPXQVWFNZ-SNVBAGLBSA-N 2 2 281.360 -0.509 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCCC[NH2+][C@H](C)C(N)=O ZINC001174683281 820415931 /nfs/dbraw/zinc/41/59/31/820415931.db2.gz SYQRPGUDCAPRBN-SECBINFHSA-N 2 2 267.333 -0.770 20 0 CBADLP CC[C@@H]([NH2+]CCCNC(=O)Cc1[nH]c[nH+]c1C)C(N)=O ZINC001174691043 820415968 /nfs/dbraw/zinc/41/59/68/820415968.db2.gz GTYDMCNOPPILNM-SNVBAGLBSA-N 2 2 281.360 -0.380 20 0 CBADLP CC[C@H]([NH2+]CCCNC(=O)CCc1c[nH+]cn1C)C(N)=O ZINC001175011553 820420033 /nfs/dbraw/zinc/42/00/33/820420033.db2.gz IATIRYJSXNCLNI-LBPRGKRZSA-N 2 2 295.387 -0.288 20 0 CBADLP CNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001175463306 820426305 /nfs/dbraw/zinc/42/63/05/820426305.db2.gz ZJBUPWKOTIVGBK-NSHDSACASA-N 2 2 295.387 -0.037 20 0 CBADLP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)O1 ZINC001176836572 820459601 /nfs/dbraw/zinc/45/96/01/820459601.db2.gz KYPZPFKZWREGFX-NQBHXWOUSA-N 2 2 282.344 -0.207 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NCCC[NH2+]Cc1nnn(C)n1 ZINC001176980356 820484531 /nfs/dbraw/zinc/48/45/31/820484531.db2.gz CSOUMXVEKBQEOC-UHFFFAOYSA-N 2 2 283.380 -0.854 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NCCC[NH2+]Cc1nnn(C)n1 ZINC001176980356 820484536 /nfs/dbraw/zinc/48/45/36/820484536.db2.gz CSOUMXVEKBQEOC-UHFFFAOYSA-N 2 2 283.380 -0.854 20 0 CBADLP CC[N@H+](C)CCC(=O)N1CC[C@@H]2OCC[NH+](CCO)[C@H]2C1 ZINC001177125529 820494154 /nfs/dbraw/zinc/49/41/54/820494154.db2.gz RHSOJOBPZLEERG-KBPBESRZSA-N 2 2 299.415 -0.378 20 0 CBADLP CC[N@@H+](C)CCC(=O)N1CC[C@@H]2OCC[NH+](CCO)[C@H]2C1 ZINC001177125529 820494155 /nfs/dbraw/zinc/49/41/55/820494155.db2.gz RHSOJOBPZLEERG-KBPBESRZSA-N 2 2 299.415 -0.378 20 0 CBADLP CC[NH+](C)CCC(=O)N1CC[C@@H]2OCC[N@H+](CCO)[C@H]2C1 ZINC001177125529 820494160 /nfs/dbraw/zinc/49/41/60/820494160.db2.gz RHSOJOBPZLEERG-KBPBESRZSA-N 2 2 299.415 -0.378 20 0 CBADLP CC[NH+](C)CCC(=O)N1CC[C@@H]2OCC[N@@H+](CCO)[C@H]2C1 ZINC001177125529 820494164 /nfs/dbraw/zinc/49/41/64/820494164.db2.gz RHSOJOBPZLEERG-KBPBESRZSA-N 2 2 299.415 -0.378 20 0 CBADLP Cn1cc(CC[NH2+]CCCNC(=O)Cn2cc[nH+]c2)cn1 ZINC001177404724 820512022 /nfs/dbraw/zinc/51/20/22/820512022.db2.gz GHJOOYYFJRENBQ-UHFFFAOYSA-N 2 2 290.371 -0.045 20 0 CBADLP CN(CC(=O)NCC[NH2+]CCO)c1cccc[nH+]1 ZINC001177414237 820515098 /nfs/dbraw/zinc/51/50/98/820515098.db2.gz XKONXTIQOMPIHW-UHFFFAOYSA-N 2 2 252.318 -0.784 20 0 CBADLP C[NH+]1CCN(C(=O)CC[NH2+]Cc2cc[nH]n2)CC1 ZINC001177718805 820532870 /nfs/dbraw/zinc/53/28/70/820532870.db2.gz LPZVQOZSOBGAMP-UHFFFAOYSA-N 2 2 251.334 -0.337 20 0 CBADLP COCCC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)[C@H]1C ZINC001178414556 820580265 /nfs/dbraw/zinc/58/02/65/820580265.db2.gz MDRCCQZGCLRAQO-MELADBBJSA-N 2 2 299.415 -0.068 20 0 CBADLP COCCC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)[C@H]1C ZINC001178414556 820580270 /nfs/dbraw/zinc/58/02/70/820580270.db2.gz MDRCCQZGCLRAQO-MELADBBJSA-N 2 2 299.415 -0.068 20 0 CBADLP COCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)[C@H]1C ZINC001178414552 820580740 /nfs/dbraw/zinc/58/07/40/820580740.db2.gz MDRCCQZGCLRAQO-IHRRRGAJSA-N 2 2 299.415 -0.068 20 0 CBADLP COCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H]1C ZINC001178414552 820580742 /nfs/dbraw/zinc/58/07/42/820580742.db2.gz MDRCCQZGCLRAQO-IHRRRGAJSA-N 2 2 299.415 -0.068 20 0 CBADLP Cc1cc(N(C(N)=[NH2+])C(=O)CN2CC[NH+](C)CC2)n[nH]1 ZINC001178956449 820612463 /nfs/dbraw/zinc/61/24/63/820612463.db2.gz UHDFPHPJWNFQIC-UHFFFAOYSA-N 2 2 279.348 -0.808 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CC([NH2+][C@H]2CCOC2)C1 ZINC001179007866 820614910 /nfs/dbraw/zinc/61/49/10/820614910.db2.gz DQENIHDOIMXAAO-JTQLQIEISA-N 2 2 250.302 -0.528 20 0 CBADLP C[C@H]1[C@@H]([NH2+]CCCO)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001179617460 820636893 /nfs/dbraw/zinc/63/68/93/820636893.db2.gz GYVUMVWUOYCDAL-JQWIXIFHSA-N 2 2 266.345 -0.086 20 0 CBADLP C[C@H]1[C@@H]([NH2+]CC(=O)N(C)C)CCN1C(=O)Cn1cc[nH+]c1 ZINC001180279893 820665448 /nfs/dbraw/zinc/66/54/48/820665448.db2.gz OOSMANYYAYUKEI-RYUDHWBXSA-N 2 2 293.371 -0.450 20 0 CBADLP CC[NH+](CC)CC(=O)NCC[NH+]1CC2(COC2)C1 ZINC001180391384 820678187 /nfs/dbraw/zinc/67/81/87/820678187.db2.gz UNBZMNAZTLCYIQ-UHFFFAOYSA-N 2 2 255.362 -0.223 20 0 CBADLP C[NH+]1CCC[C@](C)(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001180763401 820724804 /nfs/dbraw/zinc/72/48/04/820724804.db2.gz WAUPNENUOMGCNG-YPMHNXCESA-N 2 2 255.362 -0.083 20 0 CBADLP C[NH+]1CCC[C@](C)(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001180763401 820724811 /nfs/dbraw/zinc/72/48/11/820724811.db2.gz WAUPNENUOMGCNG-YPMHNXCESA-N 2 2 255.362 -0.083 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)N[C@@]2(C)CCC[N@H+](C)C2)C1 ZINC001180763401 820724815 /nfs/dbraw/zinc/72/48/15/820724815.db2.gz WAUPNENUOMGCNG-YPMHNXCESA-N 2 2 255.362 -0.083 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)N[C@@]2(C)CCC[N@@H+](C)C2)C1 ZINC001180763401 820724819 /nfs/dbraw/zinc/72/48/19/820724819.db2.gz WAUPNENUOMGCNG-YPMHNXCESA-N 2 2 255.362 -0.083 20 0 CBADLP O=C(N[C@@H](CO)Cc1c[nH]c[nH+]1)[C@@H]1C[NH+]2CCC1CC2 ZINC001182017417 820850897 /nfs/dbraw/zinc/85/08/97/820850897.db2.gz KVIDQRPCPSCSPM-CHWSQXEVSA-N 2 2 278.356 -0.229 20 0 CBADLP O=C(N[C@@H](CO)Cc1c[nH+]c[nH]1)[C@@H]1C[NH+]2CCC1CC2 ZINC001182017417 820850909 /nfs/dbraw/zinc/85/09/09/820850909.db2.gz KVIDQRPCPSCSPM-CHWSQXEVSA-N 2 2 278.356 -0.229 20 0 CBADLP COCC[NH+]1CCN(C(=O)C2(O)CC[NH+](C)CC2)CC1 ZINC001182030423 820853417 /nfs/dbraw/zinc/85/34/17/820853417.db2.gz BAVUOBXTXTXUJT-UHFFFAOYSA-N 2 2 285.388 -0.766 20 0 CBADLP Cn1cc[nH+]c1CCNC(=O)C1(O)CC[NH+](C)CC1 ZINC001182036910 820857904 /nfs/dbraw/zinc/85/79/04/820857904.db2.gz MIKHMWYFMPERQK-UHFFFAOYSA-N 2 2 266.345 -0.465 20 0 CBADLP O=C(CCc1[nH]cc[nH+]1)N1CC[C@@H]([NH2+]CCCO)C1 ZINC001182221110 820892819 /nfs/dbraw/zinc/89/28/19/820892819.db2.gz XKGCAKVXNCZTHD-LLVKDONJSA-N 2 2 266.345 -0.085 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001182221009 820893730 /nfs/dbraw/zinc/89/37/30/820893730.db2.gz UTOZQVXSCRMJEW-GHMZBOCLSA-N 2 2 293.371 -0.333 20 0 CBADLP Cc1[nH]c2c([nH+]1)CCN(C(=O)[C@@H]1C[N@@H+](C)CCN1C)CC2 ZINC001185246434 821108484 /nfs/dbraw/zinc/10/84/84/821108484.db2.gz UXRUXEVHAJTKHV-AWEZNQCLSA-N 2 2 291.399 -0.109 20 0 CBADLP Cc1[nH]c2c([nH+]1)CCN(C(=O)[C@@H]1C[N@H+](C)CCN1C)CC2 ZINC001185246434 821108488 /nfs/dbraw/zinc/10/84/88/821108488.db2.gz UXRUXEVHAJTKHV-AWEZNQCLSA-N 2 2 291.399 -0.109 20 0 CBADLP C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@H]1C[NH2+]CC(N)=O ZINC001185381835 821127494 /nfs/dbraw/zinc/12/74/94/821127494.db2.gz SNLQJMKYMANHGA-QWRGUYRKSA-N 2 2 293.371 -0.488 20 0 CBADLP CCN(C(=O)C[N@@H+]1CC[C@H](C(=O)OC)C1)C1C[NH+](C)C1 ZINC001186106895 821170757 /nfs/dbraw/zinc/17/07/57/821170757.db2.gz JMGNTQZRVLMOFT-NSHDSACASA-N 2 2 283.372 -0.356 20 0 CBADLP CCN(C(=O)C[N@H+]1CC[C@H](C(=O)OC)C1)C1C[NH+](C)C1 ZINC001186106895 821170761 /nfs/dbraw/zinc/17/07/61/821170761.db2.gz JMGNTQZRVLMOFT-NSHDSACASA-N 2 2 283.372 -0.356 20 0 CBADLP C[NH+]1CCC[C@H](C(=O)NC[C@H]2C[N@H+](C)CCO2)C1 ZINC001186362923 821179405 /nfs/dbraw/zinc/17/94/05/821179405.db2.gz WMVSBBARFBSAFA-RYUDHWBXSA-N 2 2 255.362 -0.225 20 0 CBADLP C[NH+]1CCC[C@H](C(=O)NC[C@H]2C[N@@H+](C)CCO2)C1 ZINC001186362923 821179409 /nfs/dbraw/zinc/17/94/09/821179409.db2.gz WMVSBBARFBSAFA-RYUDHWBXSA-N 2 2 255.362 -0.225 20 0 CBADLP C[NH+]1CCO[C@@H](CNC(=O)[C@H]2CCC[N@H+](C)C2)C1 ZINC001186362923 821179413 /nfs/dbraw/zinc/17/94/13/821179413.db2.gz WMVSBBARFBSAFA-RYUDHWBXSA-N 2 2 255.362 -0.225 20 0 CBADLP C[NH+]1CCO[C@@H](CNC(=O)[C@H]2CCC[N@@H+](C)C2)C1 ZINC001186362923 821179417 /nfs/dbraw/zinc/17/94/17/821179417.db2.gz WMVSBBARFBSAFA-RYUDHWBXSA-N 2 2 255.362 -0.225 20 0 CBADLP COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)[C@H]1CCC[NH+](C)C1 ZINC001186355263 821179982 /nfs/dbraw/zinc/17/99/82/821179982.db2.gz ZCISTIOQFALYSC-NWDGAFQWSA-N 2 2 283.372 -0.356 20 0 CBADLP COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)[C@H]1CCC[NH+](C)C1 ZINC001186355263 821179987 /nfs/dbraw/zinc/17/99/87/821179987.db2.gz ZCISTIOQFALYSC-NWDGAFQWSA-N 2 2 283.372 -0.356 20 0 CBADLP COC(=O)[C@H]1C[NH+](C)CCN1C(=O)[C@H]1CCC[N@H+](C)C1 ZINC001186355263 821179991 /nfs/dbraw/zinc/17/99/91/821179991.db2.gz ZCISTIOQFALYSC-NWDGAFQWSA-N 2 2 283.372 -0.356 20 0 CBADLP COC(=O)[C@H]1C[NH+](C)CCN1C(=O)[C@H]1CCC[N@@H+](C)C1 ZINC001186355263 821179994 /nfs/dbraw/zinc/17/99/94/821179994.db2.gz ZCISTIOQFALYSC-NWDGAFQWSA-N 2 2 283.372 -0.356 20 0 CBADLP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001187092573 821212946 /nfs/dbraw/zinc/21/29/46/821212946.db2.gz XCLYZYGGFGRNMF-SNVBAGLBSA-N 2 2 293.371 -0.376 20 0 CBADLP COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001188368823 822332681 /nfs/dbraw/zinc/33/26/81/822332681.db2.gz LOLOOYJYXQRDQZ-NEPJUHHUSA-N 2 2 282.344 -0.919 20 0 CBADLP C[C@@H](CCNC(=O)CCn1cc[nH+]c1)[NH2+]CC(N)=O ZINC001281740398 828423935 /nfs/dbraw/zinc/42/39/35/828423935.db2.gz WLEOJAABXHRYKD-JTQLQIEISA-N 2 2 267.333 -0.757 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[N@H+](C)CCO ZINC001282401264 828445442 /nfs/dbraw/zinc/44/54/42/828445442.db2.gz GUOKADYXSABVAR-HBNTYKKESA-N 2 2 266.345 -0.058 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[N@@H+](C)CCO ZINC001282401264 828445444 /nfs/dbraw/zinc/44/54/44/828445444.db2.gz GUOKADYXSABVAR-HBNTYKKESA-N 2 2 266.345 -0.058 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[N@H+](C)CCO ZINC001282401264 828445446 /nfs/dbraw/zinc/44/54/46/828445446.db2.gz GUOKADYXSABVAR-HBNTYKKESA-N 2 2 266.345 -0.058 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[N@@H+](C)CCO ZINC001282401264 828445447 /nfs/dbraw/zinc/44/54/47/828445447.db2.gz GUOKADYXSABVAR-HBNTYKKESA-N 2 2 266.345 -0.058 20 0 CBADLP C[C@@H](CCC[NH2+][C@H]1CCNC1=O)NC(=O)Cc1[nH]cc[nH+]1 ZINC001283258583 828510490 /nfs/dbraw/zinc/51/04/90/828510490.db2.gz BHVODYJDWFMNEF-QWRGUYRKSA-N 2 2 293.371 -0.285 20 0 CBADLP C[C@@H](O)C[NH2+][C@@H](C)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001283721729 828535797 /nfs/dbraw/zinc/53/57/97/828535797.db2.gz FAHKFSVRLUEOMC-WDEREUQCSA-N 2 2 254.334 -0.300 20 0 CBADLP CCC[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](CC(N)=O)C[C@H]21 ZINC001189899059 823786321 /nfs/dbraw/zinc/78/63/21/823786321.db2.gz WGYJFYSMUQNGSD-NWDGAFQWSA-N 2 2 282.388 -0.654 20 0 CBADLP CCC[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+](CC(N)=O)C[C@H]21 ZINC001189899059 823786326 /nfs/dbraw/zinc/78/63/26/823786326.db2.gz WGYJFYSMUQNGSD-NWDGAFQWSA-N 2 2 282.388 -0.654 20 0 CBADLP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001189899059 823786329 /nfs/dbraw/zinc/78/63/29/823786329.db2.gz WGYJFYSMUQNGSD-NWDGAFQWSA-N 2 2 282.388 -0.654 20 0 CBADLP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001189899059 823786331 /nfs/dbraw/zinc/78/63/31/823786331.db2.gz WGYJFYSMUQNGSD-NWDGAFQWSA-N 2 2 282.388 -0.654 20 0 CBADLP CNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001191361089 823888558 /nfs/dbraw/zinc/88/85/58/823888558.db2.gz VZLARUAOYJVXQT-GFCCVEGCSA-N 2 2 293.371 -0.530 20 0 CBADLP CNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001191361089 823888564 /nfs/dbraw/zinc/88/85/64/823888564.db2.gz VZLARUAOYJVXQT-GFCCVEGCSA-N 2 2 293.371 -0.530 20 0 CBADLP Cn1nncc1C[N@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192153877 823952158 /nfs/dbraw/zinc/95/21/58/823952158.db2.gz XPPVZZVIZYBIIV-LBPRGKRZSA-N 2 2 294.403 -0.201 20 0 CBADLP Cn1nncc1C[N@@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192153877 823952163 /nfs/dbraw/zinc/95/21/63/823952163.db2.gz XPPVZZVIZYBIIV-LBPRGKRZSA-N 2 2 294.403 -0.201 20 0 CBADLP CCC[NH2+]C[C@@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001284460753 828598881 /nfs/dbraw/zinc/59/88/81/828598881.db2.gz UTHDHHDWVHOMBD-SNVBAGLBSA-N 2 2 254.334 -0.229 20 0 CBADLP COC[C@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001192551778 823974561 /nfs/dbraw/zinc/97/45/61/823974561.db2.gz SNOQHBCUYBKQHP-CHWSQXEVSA-N 2 2 296.371 -0.508 20 0 CBADLP COC[C@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001192551778 823974564 /nfs/dbraw/zinc/97/45/64/823974564.db2.gz SNOQHBCUYBKQHP-CHWSQXEVSA-N 2 2 296.371 -0.508 20 0 CBADLP CO[C@H](C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001192640125 823979190 /nfs/dbraw/zinc/97/91/90/823979190.db2.gz QLFITPVUESCSED-IJLUTSLNSA-N 2 2 296.371 -0.462 20 0 CBADLP CO[C@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001192640125 823979194 /nfs/dbraw/zinc/97/91/94/823979194.db2.gz QLFITPVUESCSED-IJLUTSLNSA-N 2 2 296.371 -0.462 20 0 CBADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@@H+](CC2CC2)C[C@H]1O ZINC001192632661 823980360 /nfs/dbraw/zinc/98/03/60/823980360.db2.gz LIZCBUXAMDRQES-VXGBXAGGSA-N 2 2 278.356 -0.086 20 0 CBADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@H+](CC2CC2)C[C@H]1O ZINC001192632661 823980366 /nfs/dbraw/zinc/98/03/66/823980366.db2.gz LIZCBUXAMDRQES-VXGBXAGGSA-N 2 2 278.356 -0.086 20 0 CBADLP CC(C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001194916349 824095865 /nfs/dbraw/zinc/09/58/65/824095865.db2.gz AFDLXRHGZWHYND-VXGBXAGGSA-N 2 2 280.372 -0.078 20 0 CBADLP CC(C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001194916349 824095872 /nfs/dbraw/zinc/09/58/72/824095872.db2.gz AFDLXRHGZWHYND-VXGBXAGGSA-N 2 2 280.372 -0.078 20 0 CBADLP CC(C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001195128788 824104643 /nfs/dbraw/zinc/10/46/43/824104643.db2.gz NOBAFCUFOFXWGJ-VXGBXAGGSA-N 2 2 266.345 -0.157 20 0 CBADLP CC(C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001195128788 824104647 /nfs/dbraw/zinc/10/46/47/824104647.db2.gz NOBAFCUFOFXWGJ-VXGBXAGGSA-N 2 2 266.345 -0.157 20 0 CBADLP COC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001195129109 824104875 /nfs/dbraw/zinc/10/48/75/824104875.db2.gz YHSFWLLDOBHLRZ-YNEHKIRRSA-N 2 2 296.371 -0.531 20 0 CBADLP COC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001195129109 824104879 /nfs/dbraw/zinc/10/48/79/824104879.db2.gz YHSFWLLDOBHLRZ-YNEHKIRRSA-N 2 2 296.371 -0.531 20 0 CBADLP Cn1c[nH+]cc1CN1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195851055 824134026 /nfs/dbraw/zinc/13/40/26/824134026.db2.gz SEBPHSYSZNJQKE-CHWSQXEVSA-N 2 2 295.387 -0.967 20 0 CBADLP Cc1ncoc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195859939 824134173 /nfs/dbraw/zinc/13/41/73/824134173.db2.gz ONLDKJAVWBVOSZ-VXGBXAGGSA-N 2 2 296.371 -0.404 20 0 CBADLP Cc1ncoc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195859939 824134174 /nfs/dbraw/zinc/13/41/74/824134174.db2.gz ONLDKJAVWBVOSZ-VXGBXAGGSA-N 2 2 296.371 -0.404 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1[C@H](C)CC[C@@H]1CO ZINC001197334956 824188273 /nfs/dbraw/zinc/18/82/73/824188273.db2.gz GWQXLHWKCPXQEZ-JHJVBQTASA-N 2 2 260.378 -0.229 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1[C@H](C)CC[C@@H]1CO ZINC001197334956 824188274 /nfs/dbraw/zinc/18/82/74/824188274.db2.gz GWQXLHWKCPXQEZ-JHJVBQTASA-N 2 2 260.378 -0.229 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1[C@H](C)CC[C@@H]1CO ZINC001197334956 824188275 /nfs/dbraw/zinc/18/82/75/824188275.db2.gz GWQXLHWKCPXQEZ-JHJVBQTASA-N 2 2 260.378 -0.229 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1[C@H](C)CC[C@@H]1CO ZINC001197334956 824188276 /nfs/dbraw/zinc/18/82/76/824188276.db2.gz GWQXLHWKCPXQEZ-JHJVBQTASA-N 2 2 260.378 -0.229 20 0 CBADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCF)C[C@H]1O ZINC001198029714 824214829 /nfs/dbraw/zinc/21/48/29/824214829.db2.gz WEYUKTZSWRAFCR-GHMZBOCLSA-N 2 2 261.341 -0.541 20 0 CBADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCF)C[C@H]1O ZINC001198029714 824214835 /nfs/dbraw/zinc/21/48/35/824214835.db2.gz WEYUKTZSWRAFCR-GHMZBOCLSA-N 2 2 261.341 -0.541 20 0 CBADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCF)C[C@H]1O ZINC001198029714 824214840 /nfs/dbraw/zinc/21/48/40/824214840.db2.gz WEYUKTZSWRAFCR-GHMZBOCLSA-N 2 2 261.341 -0.541 20 0 CBADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1O ZINC001198029714 824214842 /nfs/dbraw/zinc/21/48/42/824214842.db2.gz WEYUKTZSWRAFCR-GHMZBOCLSA-N 2 2 261.341 -0.541 20 0 CBADLP CCC[N@@H+](C)CC(=O)N1CCC[NH+]([C@H](C)C(N)=O)CC1 ZINC001197914557 824210064 /nfs/dbraw/zinc/21/00/64/824210064.db2.gz WJNUGOUHLRNIJK-GFCCVEGCSA-N 2 2 284.404 -0.264 20 0 CBADLP CCC[NH+](C)CC(=O)N1CCC[N@@H+]([C@H](C)C(N)=O)CC1 ZINC001197914557 824210071 /nfs/dbraw/zinc/21/00/71/824210071.db2.gz WJNUGOUHLRNIJK-GFCCVEGCSA-N 2 2 284.404 -0.264 20 0 CBADLP CCC[NH+](C)CC(=O)N1CCC[N@H+]([C@H](C)C(N)=O)CC1 ZINC001197914557 824210079 /nfs/dbraw/zinc/21/00/79/824210079.db2.gz WJNUGOUHLRNIJK-GFCCVEGCSA-N 2 2 284.404 -0.264 20 0 CBADLP C[NH+]1CCN(c2cc[nH+]cc2C(=O)NC[C@@H](O)CF)CC1 ZINC001199361339 824264108 /nfs/dbraw/zinc/26/41/08/824264108.db2.gz UVOGUNVWFXKYGB-NSHDSACASA-N 2 2 296.346 -0.106 20 0 CBADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1C[N@H+](CCCO)C[C@H]1O ZINC001199398450 824266271 /nfs/dbraw/zinc/26/62/71/824266271.db2.gz QDBOMZDVDHVNRP-CHWSQXEVSA-N 2 2 296.371 -0.793 20 0 CBADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001199398450 824266278 /nfs/dbraw/zinc/26/62/78/824266278.db2.gz QDBOMZDVDHVNRP-CHWSQXEVSA-N 2 2 296.371 -0.793 20 0 CBADLP C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=S)NCCC[NH+]1CCOCC1 ZINC001199945159 824297178 /nfs/dbraw/zinc/29/71/78/824297178.db2.gz PYEQELQEVKDKPA-STQMWFEESA-N 2 2 298.456 -0.029 20 0 CBADLP C[N@H+]1C[C@@H]2C[C@H]1CN2C(=S)NCCC[NH+]1CCOCC1 ZINC001199945159 824297184 /nfs/dbraw/zinc/29/71/84/824297184.db2.gz PYEQELQEVKDKPA-STQMWFEESA-N 2 2 298.456 -0.029 20 0 CBADLP C[C@@H](O)C[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCCO1 ZINC001201483796 824333698 /nfs/dbraw/zinc/33/36/98/824333698.db2.gz OWQBKLAOJWPYBS-YPMHNXCESA-N 2 2 296.371 -0.460 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CCCO[C@@H](C[NH2+]CCCO)C1 ZINC001202216504 824342549 /nfs/dbraw/zinc/34/25/49/824342549.db2.gz FRRHWIVXVNECIJ-ZDUSSCGKSA-N 2 2 296.371 -0.527 20 0 CBADLP C[C@@H](O)C[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCCO1 ZINC001202217306 824343056 /nfs/dbraw/zinc/34/30/56/824343056.db2.gz PBTQJVATSJBSHP-OLZOCXBDSA-N 2 2 296.371 -0.529 20 0 CBADLP CNC(=O)C[NH2+]C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001202667846 824350692 /nfs/dbraw/zinc/35/06/92/824350692.db2.gz NZQHHRHQZANFOG-UHFFFAOYSA-N 2 2 279.344 -0.721 20 0 CBADLP CN(C)C(=O)C[NH+]1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC001203014951 824356760 /nfs/dbraw/zinc/35/67/60/824356760.db2.gz SWOSTFASJSHTKM-UHFFFAOYSA-N 2 2 296.415 -0.439 20 0 CBADLP CN(C)C(=O)C[N@H+]1CCC(=O)N(CC[NH+](C)C)CC1 ZINC001203014779 824356881 /nfs/dbraw/zinc/35/68/81/824356881.db2.gz PIEYJQWLAXSDIG-UHFFFAOYSA-N 2 2 270.377 -0.830 20 0 CBADLP CN(C)C(=O)C[N@@H+]1CCC(=O)N(CC[NH+](C)C)CC1 ZINC001203014779 824356882 /nfs/dbraw/zinc/35/68/82/824356882.db2.gz PIEYJQWLAXSDIG-UHFFFAOYSA-N 2 2 270.377 -0.830 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N1CCC([NH2+]CCOCCO)CC1 ZINC001203052812 824357954 /nfs/dbraw/zinc/35/79/54/824357954.db2.gz SZCHBXZDXJAFBA-UHFFFAOYSA-N 2 2 296.371 -0.458 20 0 CBADLP CCNC(=O)C[NH2+]C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001204075785 824364398 /nfs/dbraw/zinc/36/43/98/824364398.db2.gz FQNBWFMRLCUTCF-UHFFFAOYSA-N 2 2 293.371 -0.400 20 0 CBADLP CN(C)C(=O)C[NH2+]C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001204076519 824365072 /nfs/dbraw/zinc/36/50/72/824365072.db2.gz PBGUSEMVIBMCLI-UHFFFAOYSA-N 2 2 293.371 -0.448 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001204076486 824365259 /nfs/dbraw/zinc/36/52/59/824365259.db2.gz NWJJKNDYYRZQON-NSHDSACASA-N 2 2 293.371 -0.402 20 0 CBADLP [NH3+][C@@H]1C[N@H+](CC2CCC3(CC2)OCCO3)C[C@H]1O ZINC001205346711 824377439 /nfs/dbraw/zinc/37/74/39/824377439.db2.gz DXCDKJSLQXXNND-VXGBXAGGSA-N 2 2 256.346 -0.077 20 0 CBADLP [NH3+][C@@H]1C[N@@H+](CC2CCC3(CC2)OCCO3)C[C@H]1O ZINC001205346711 824377445 /nfs/dbraw/zinc/37/74/45/824377445.db2.gz DXCDKJSLQXXNND-VXGBXAGGSA-N 2 2 256.346 -0.077 20 0 CBADLP COC(=O)c1cnc(C[N@@H+]2CCCC[C@](O)(C[NH3+])C2)cn1 ZINC001205683127 824380306 /nfs/dbraw/zinc/38/03/06/824380306.db2.gz YBLHRKGITHDXNG-AWEZNQCLSA-N 2 2 294.355 -0.061 20 0 CBADLP COC(=O)c1cnc(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)cn1 ZINC001205683127 824380310 /nfs/dbraw/zinc/38/03/10/824380310.db2.gz YBLHRKGITHDXNG-AWEZNQCLSA-N 2 2 294.355 -0.061 20 0 CBADLP C[C@H]1CC[C@@H](C[NH3+])[N@H+](Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC001205829918 824387443 /nfs/dbraw/zinc/38/74/43/824387443.db2.gz QDBQCNWXNMLQHU-JQWIXIFHSA-N 2 2 280.372 -0.357 20 0 CBADLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC001205829918 824387445 /nfs/dbraw/zinc/38/74/45/824387445.db2.gz QDBQCNWXNMLQHU-JQWIXIFHSA-N 2 2 280.372 -0.357 20 0 CBADLP CS(=O)(=O)Nc1cccc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c1 ZINC001206525112 824401559 /nfs/dbraw/zinc/40/15/59/824401559.db2.gz GTIRAFSYKWGHRM-AAEUAGOBSA-N 2 2 299.396 -0.191 20 0 CBADLP CS(=O)(=O)Nc1cccc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c1 ZINC001206525112 824401563 /nfs/dbraw/zinc/40/15/63/824401563.db2.gz GTIRAFSYKWGHRM-AAEUAGOBSA-N 2 2 299.396 -0.191 20 0 CBADLP CN1CC[NH+](CCCOC[C@H]2C[N@H+](C)CCO2)CC1 ZINC001206591396 824403401 /nfs/dbraw/zinc/40/34/01/824403401.db2.gz TZWVVGAXIMPRPQ-CQSZACIVSA-N 2 2 271.405 -0.029 20 0 CBADLP CN1CC[NH+](CCCOC[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001206591396 824403406 /nfs/dbraw/zinc/40/34/06/824403406.db2.gz TZWVVGAXIMPRPQ-CQSZACIVSA-N 2 2 271.405 -0.029 20 0 CBADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1C[C@@H]2COC[C@@H]21 ZINC001206661310 824405870 /nfs/dbraw/zinc/40/58/70/824405870.db2.gz SWEWQIDITUFHLW-VOAKCMCISA-N 2 2 267.373 -0.049 20 0 CBADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1C[C@@H]2COC[C@@H]21 ZINC001206661310 824405871 /nfs/dbraw/zinc/40/58/71/824405871.db2.gz SWEWQIDITUFHLW-VOAKCMCISA-N 2 2 267.373 -0.049 20 0 CBADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C ZINC001209635264 824473497 /nfs/dbraw/zinc/47/34/97/824473497.db2.gz NXEQHBFVAZDHQR-GHMZBOCLSA-N 2 2 270.377 -0.750 20 0 CBADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C ZINC001209635264 824473501 /nfs/dbraw/zinc/47/35/01/824473501.db2.gz NXEQHBFVAZDHQR-GHMZBOCLSA-N 2 2 270.377 -0.750 20 0 CBADLP CC1(C)[NH2+]C[C@@H](C[N@@H+]2CC[C@@](C)(CO)[C@@H](O)C2)O1 ZINC001209845773 824476379 /nfs/dbraw/zinc/47/63/79/824476379.db2.gz MKKHHYLKDQBRKX-GVXVVHGQSA-N 2 2 258.362 -0.224 20 0 CBADLP CC1(C)[NH2+]C[C@@H](C[N@H+]2CC[C@@](C)(CO)[C@@H](O)C2)O1 ZINC001209845773 824476383 /nfs/dbraw/zinc/47/63/83/824476383.db2.gz MKKHHYLKDQBRKX-GVXVVHGQSA-N 2 2 258.362 -0.224 20 0 CBADLP CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001212026628 824497128 /nfs/dbraw/zinc/49/71/28/824497128.db2.gz RJPWEBBSFSXNNN-HZSPNIEDSA-N 2 2 299.415 -0.068 20 0 CBADLP CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001212026628 824497130 /nfs/dbraw/zinc/49/71/30/824497130.db2.gz RJPWEBBSFSXNNN-HZSPNIEDSA-N 2 2 299.415 -0.068 20 0 CBADLP CCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)[C@H](OC)C1 ZINC001212026628 824497133 /nfs/dbraw/zinc/49/71/33/824497133.db2.gz RJPWEBBSFSXNNN-HZSPNIEDSA-N 2 2 299.415 -0.068 20 0 CBADLP CCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)[C@H](OC)C1 ZINC001212026628 824497134 /nfs/dbraw/zinc/49/71/34/824497134.db2.gz RJPWEBBSFSXNNN-HZSPNIEDSA-N 2 2 299.415 -0.068 20 0 CBADLP CO[C@@H]1C[N@H+](CCCO)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001212199317 824503082 /nfs/dbraw/zinc/50/30/82/824503082.db2.gz UPBNVSOAKLJYQB-VXGBXAGGSA-N 2 2 296.371 -0.460 20 0 CBADLP CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001212199317 824503085 /nfs/dbraw/zinc/50/30/85/824503085.db2.gz UPBNVSOAKLJYQB-VXGBXAGGSA-N 2 2 296.371 -0.460 20 0 CBADLP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]Cc1nnn(C)n1 ZINC001215455726 824541887 /nfs/dbraw/zinc/54/18/87/824541887.db2.gz DVYRGRSSFXNCOF-GHMZBOCLSA-N 2 2 295.391 -0.902 20 0 CBADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]CCCO ZINC001215680633 824542723 /nfs/dbraw/zinc/54/27/23/824542723.db2.gz FYJAFXMNMMDFSG-ZYHUDNBSSA-N 2 2 266.345 -0.229 20 0 CBADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001215681108 824543570 /nfs/dbraw/zinc/54/35/70/824543570.db2.gz SIKSGMGMHFHXSE-ZYHUDNBSSA-N 2 2 293.371 -0.523 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001215680688 824543643 /nfs/dbraw/zinc/54/36/43/824543643.db2.gz IXYCHYVYRKALPB-JFGNBEQYSA-N 2 2 293.371 -0.477 20 0 CBADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001216061162 824545167 /nfs/dbraw/zinc/54/51/67/824545167.db2.gz CZQCYJRZJIJWPG-GHMZBOCLSA-N 2 2 293.371 -0.523 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001217006101 824550014 /nfs/dbraw/zinc/55/00/14/824550014.db2.gz VETMDULAIMOUJZ-IJLUTSLNSA-N 2 2 293.371 -0.546 20 0 CBADLP COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001217005565 824551021 /nfs/dbraw/zinc/55/10/21/824551021.db2.gz KHLCPPDKEANPMQ-JHJVBQTASA-N 2 2 296.371 -0.673 20 0 CBADLP COC(=O)[C@@H]1C[C@H](OC[C@@H]2C[C@@H]3CC[NH2+]C[C@@H]3O2)C[NH2+]1 ZINC001217822216 824562023 /nfs/dbraw/zinc/56/20/23/824562023.db2.gz NJIGLQLEUSPCKP-VLJOUNFMSA-N 2 2 284.356 -0.327 20 0 CBADLP Cc1cc(C[C@H](C)NC(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)on1 ZINC001218500591 824570429 /nfs/dbraw/zinc/57/04/29/824570429.db2.gz KUKLMRWFONDKNE-CHIMOYNISA-N 2 2 278.356 -0.018 20 0 CBADLP Cc1cc(C[C@H](C)NC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)on1 ZINC001218501825 824572139 /nfs/dbraw/zinc/57/21/39/824572139.db2.gz VDWDLPCIFAPFAN-SKZLGDCLSA-N 2 2 278.356 -0.020 20 0 CBADLP COc1nn(C)cc1NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001218504356 824573182 /nfs/dbraw/zinc/57/31/82/824573182.db2.gz FQMAWDMDKFHHQU-RWYTXXIDSA-N 2 2 265.317 -0.411 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2n[nH]cc2Br)C1 ZINC001218509711 824574632 /nfs/dbraw/zinc/57/46/32/824574632.db2.gz XKXRTCWNOPKVCH-XINAWCOVSA-N 2 2 274.122 -0.200 20 0 CBADLP Cn1c(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])nnc1C(F)(F)F ZINC001218515420 824579225 /nfs/dbraw/zinc/57/92/25/824579225.db2.gz FTAXFTBOABWHSS-WHFBIAKZSA-N 2 2 278.238 -0.681 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1nnc(-c2ccco2)o1 ZINC001218525985 824582771 /nfs/dbraw/zinc/58/27/71/824582771.db2.gz NHUSFAKARWWZPP-BQBZGAKWSA-N 2 2 263.257 -0.185 20 0 CBADLP Cc1cc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)n2ncnc2n1 ZINC001218528295 824584393 /nfs/dbraw/zinc/58/43/93/824584393.db2.gz RSQDSUGAMFMLLR-VIFPVBQESA-N 2 2 286.299 -0.336 20 0 CBADLP COc1cc(NC(=O)C[NH2+]C2CC[NH2+]CC2)ncn1 ZINC001218534724 824585056 /nfs/dbraw/zinc/58/50/56/824585056.db2.gz CORDYVCLGQWKRJ-UHFFFAOYSA-N 2 2 265.317 -0.235 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)C1 ZINC001218532512 824585657 /nfs/dbraw/zinc/58/56/57/824585657.db2.gz FTBHNFTVJKHLLA-OOZYFLPDSA-N 3 2 281.385 -0.413 20 0 CBADLP CCOC(=O)c1cc[nH]c1NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001218540267 824587067 /nfs/dbraw/zinc/58/70/67/824587067.db2.gz FMIIALHYXVGDTR-IUCAKERBSA-N 2 2 266.301 -0.323 20 0 CBADLP N=c1scc(N)n1C(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001218542132 824587371 /nfs/dbraw/zinc/58/73/71/824587371.db2.gz URLARHCQGYKWQE-ZCFIWIBFSA-N 2 2 252.303 -0.455 20 0 CBADLP CCOC(=O)c1n[nH]cc1NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001218550314 824589191 /nfs/dbraw/zinc/58/91/91/824589191.db2.gz UOHUPLURGCRMLJ-MRVPVSSYSA-N 2 2 292.299 -0.182 20 0 CBADLP Cc1noc(NC(=O)C[NH2+]C2CC[NH2+]CC2)c1C(N)=O ZINC001218551511 824590205 /nfs/dbraw/zinc/59/02/05/824590205.db2.gz OYNNRYRFOBSWDZ-UHFFFAOYSA-N 2 2 281.316 -0.638 20 0 CBADLP CN(C)c1cc[nH+]cc1NC(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001218562888 824592007 /nfs/dbraw/zinc/59/20/07/824592007.db2.gz FVMCMQICHJTNHU-ZETCQYMHSA-N 2 2 276.304 -0.831 20 0 CBADLP [NH3+]C1(C(=O)Nc2[nH]nc3nccnc32)CC[NH2+]CC1 ZINC001218567795 824594110 /nfs/dbraw/zinc/59/41/10/824594110.db2.gz LEAFLQIIJSAOGF-UHFFFAOYSA-N 2 2 261.289 -0.676 20 0 CBADLP COc1cc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)no1 ZINC001218573518 824596070 /nfs/dbraw/zinc/59/60/70/824596070.db2.gz IGUAXQCPCPAPTE-ZETCQYMHSA-N 2 2 251.246 -0.085 20 0 CBADLP COC(=O)c1c[nH]c(C(=O)OC)c1NC(=O)[C@@H]([NH3+])CC[NH3+] ZINC001218595959 824601616 /nfs/dbraw/zinc/60/16/16/824601616.db2.gz DOONQXFOCCXVET-ZETCQYMHSA-N 2 2 298.299 -0.798 20 0 CBADLP CC(=O)Nc1cc(NC(=O)[C@@H]([NH3+])CC[NH3+])ncn1 ZINC001218610491 824603179 /nfs/dbraw/zinc/60/31/79/824603179.db2.gz QBEWIFPUMRQATC-ZETCQYMHSA-N 2 2 252.278 -0.950 20 0 CBADLP Cn1ncc2cc(NC(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])cnc21 ZINC001218614983 824605164 /nfs/dbraw/zinc/60/51/64/824605164.db2.gz JKRWRVATNGPIAH-UWVGGRQHSA-N 2 2 260.301 -0.547 20 0 CBADLP COC(=O)c1cc(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)cn1C ZINC001218632143 824610266 /nfs/dbraw/zinc/61/02/66/824610266.db2.gz PMXAFDSCKWHVLL-APPZFPTMSA-N 2 2 266.301 -0.561 20 0 CBADLP COC(=O)c1n[nH]c(C)c1NC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001218639961 824613056 /nfs/dbraw/zinc/61/30/56/824613056.db2.gz JFHHCLVWRIICLD-UHFFFAOYSA-N 2 2 281.316 -0.476 20 0 CBADLP Cc1nc(Cl)c(N)c(=N)n1C(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001218642689 824613601 /nfs/dbraw/zinc/61/36/01/824613601.db2.gz YSCKEHMYAOQMJT-SSDOTTSWSA-N 2 2 295.734 -0.160 20 0 CBADLP CCOC(=O)c1cccc(NC(=O)[C@@H]([NH3+])CC[NH3+])n1 ZINC001218648590 824614178 /nfs/dbraw/zinc/61/41/78/824614178.db2.gz XNYJDMQUHGNSGG-QMMMGPOBSA-N 2 2 266.301 -0.127 20 0 CBADLP CCOC(=O)c1cc(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)c[nH]1 ZINC001218650318 824615791 /nfs/dbraw/zinc/61/57/91/824615791.db2.gz YXCFSHCPUBTWJO-APPZFPTMSA-N 2 2 266.301 -0.181 20 0 CBADLP CN(C)c1nc(NC(=O)C[NH2+]CCC[NH3+])c(N=O)c(=O)[nH]1 ZINC001218663896 824620125 /nfs/dbraw/zinc/62/01/25/824620125.db2.gz VFODLBZXWUQJCR-UHFFFAOYSA-N 2 2 297.319 -0.477 20 0 CBADLP CCOc1cc(N)n(C(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)c(=N)n1 ZINC001218681226 824622644 /nfs/dbraw/zinc/62/26/44/824622644.db2.gz SGABPRSTHJHFBU-QMMMGPOBSA-N 2 2 291.315 -0.723 20 0 CBADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1cc(Cl)ncc1CO ZINC001218693289 824622756 /nfs/dbraw/zinc/62/27/56/824622756.db2.gz JUXNZMRUWUZNJS-ZETCQYMHSA-N 2 2 258.709 -0.158 20 0 CBADLP Cc1nnc2cc(NC(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)ccn12 ZINC001218699134 824623368 /nfs/dbraw/zinc/62/33/68/824623368.db2.gz CTPLNFXZVDBSMC-SCZZXKLOSA-N 2 2 260.301 -0.335 20 0 CBADLP NC(=O)c1cnoc1NC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001218702805 824625171 /nfs/dbraw/zinc/62/51/71/824625171.db2.gz WVWMIBBLCQKCKW-SNVBAGLBSA-N 2 2 289.295 -0.016 20 0 CBADLP CC(=O)c1nn(C)cc1NC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001218707620 824626499 /nfs/dbraw/zinc/62/64/99/824626499.db2.gz LSFMLJVOHUFFLK-JTQLQIEISA-N 2 2 290.327 -0.135 20 0 CBADLP O=C(Nc1cc([C@@H]2CCC[NH2+]2)no1)[C@@H]1COC[NH2+]1 ZINC001218712477 824627745 /nfs/dbraw/zinc/62/77/45/824627745.db2.gz YUENNNAXCHRICT-CBAPKCEASA-N 2 2 252.274 -0.017 20 0 CBADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)Nc2ccc(O[C@@H]3CC[NH2+]C3)nc2)C1 ZINC001218731251 824629312 /nfs/dbraw/zinc/62/93/12/824629312.db2.gz JWZXRNCJMYEHQA-WCQGTBRESA-N 3 2 291.355 -0.550 20 0 CBADLP CCN=c1ccc(N)cn1C(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001218740252 824630248 /nfs/dbraw/zinc/63/02/48/824630248.db2.gz XABRQBGEPRGDQQ-LLVKDONJSA-N 2 2 274.328 -0.076 20 0 CBADLP CCN(C)c1ncc(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)cn1 ZINC001218741428 824630705 /nfs/dbraw/zinc/63/07/05/824630705.db2.gz VMVRAAGRDKJUQW-SCZZXKLOSA-N 2 2 264.333 -0.440 20 0 CBADLP [NH3+][C@H]1CN[C@H](C(=O)Nc2ccnn2-c2cc[nH+]cc2)C1 ZINC001218741194 824630761 /nfs/dbraw/zinc/63/07/61/824630761.db2.gz KUSXDBRGIOXJRY-KOLCDFICSA-N 2 2 272.312 -0.105 20 0 CBADLP CCOC(=O)c1nc(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)c[nH]1 ZINC001218765713 824636068 /nfs/dbraw/zinc/63/60/68/824636068.db2.gz YNYIFVJSIPVOGY-RQJHMYQMSA-N 2 2 267.289 -0.786 20 0 CBADLP CNC(=O)c1cccnc1NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001218763797 824636235 /nfs/dbraw/zinc/63/62/35/824636235.db2.gz IPROMCHGPFLANO-RULNRJAQSA-N 2 2 289.339 -0.399 20 0 CBADLP Nc1nc(Cl)ccc1NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001218767193 824636561 /nfs/dbraw/zinc/63/65/61/824636561.db2.gz QCFLRIMXNBQWFP-WDSKDSINSA-N 2 2 255.709 -0.198 20 0 CBADLP COC(=O)c1c[nH]c2ncnc(NC(=O)[C@@H]([NH3+])CC[NH3+])c12 ZINC001218772424 824637086 /nfs/dbraw/zinc/63/70/86/824637086.db2.gz NFKRJYBRQCHDJS-ZETCQYMHSA-N 2 2 292.299 -0.641 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccnn1Br ZINC001218771526 824637342 /nfs/dbraw/zinc/63/73/42/824637342.db2.gz CGHMZZVMLFKHEF-WDSKDSINSA-N 2 2 274.122 -0.474 20 0 CBADLP O=C(C[NH2+]C1CC[NH2+]CC1)Nc1c[nH]ccc1=O ZINC001218794982 824640271 /nfs/dbraw/zinc/64/02/71/824640271.db2.gz GOIVDDLWLYTHSW-UHFFFAOYSA-N 2 2 250.302 -0.345 20 0 CBADLP COC(=O)/C=C/c1ccc(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)nc1 ZINC001218803247 824640421 /nfs/dbraw/zinc/64/04/21/824640421.db2.gz UMICYZXOMHCUFQ-YYMQPOIQSA-N 2 2 290.323 -0.105 20 0 CBADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)Nc1ccccc1CO ZINC001218829508 824642676 /nfs/dbraw/zinc/64/26/76/824642676.db2.gz IATRSPJNGMVFBN-ZDUSSCGKSA-N 2 2 292.383 -0.132 20 0 CBADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1ccc2c(c1)CC[NH2+]CC2 ZINC001218937124 824648477 /nfs/dbraw/zinc/64/84/77/824648477.db2.gz KVAMNDYKYYUEEK-ZDUSSCGKSA-N 3 2 262.357 -0.011 20 0 CBADLP NC(=O)Cc1cccc(NC(=O)C2([NH3+])CC[NH2+]CC2)c1 ZINC001218955219 824649471 /nfs/dbraw/zinc/64/94/71/824649471.db2.gz UEVIYNMAAQWSSI-UHFFFAOYSA-N 2 2 276.340 -0.266 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccccc1-c1nc[nH]n1 ZINC001218974801 824651760 /nfs/dbraw/zinc/65/17/60/824651760.db2.gz FWXBJUQQFLULJO-UWVGGRQHSA-N 2 2 272.312 -0.043 20 0 CBADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1ccccc1-n1cncn1 ZINC001219007105 824652430 /nfs/dbraw/zinc/65/24/30/824652430.db2.gz HANABAYSBVRIPR-VIFPVBQESA-N 2 2 260.301 -0.118 20 0 CBADLP COc1ccc(CO)c(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)c1 ZINC001219074641 824654626 /nfs/dbraw/zinc/65/46/26/824654626.db2.gz QVSFRFZKPYPXIC-SKDRFNHKSA-N 2 2 265.313 -0.185 20 0 CBADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1cccc(N2CC[NH2+]CC2)c1 ZINC001219119239 824665382 /nfs/dbraw/zinc/66/53/82/824665382.db2.gz VVDBNRRRMJGQKE-ZDUSSCGKSA-N 3 2 277.372 -0.289 20 0 CBADLP CC(F)(F)CNC(=O)[C@@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001219601675 824742023 /nfs/dbraw/zinc/74/20/23/824742023.db2.gz WGPHKOGIHYKDMM-VIFPVBQESA-N 2 2 264.320 -0.492 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cccc2c1[C@@H]1C[NH2+]C[C@@H]1O2 ZINC001219540379 824724706 /nfs/dbraw/zinc/72/47/06/824724706.db2.gz GDABLNALCRCVPM-WJZNIJOASA-N 3 2 288.351 -0.380 20 0 CBADLP CC[NH+](CC)CCNC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001219555552 824727856 /nfs/dbraw/zinc/72/78/56/824727856.db2.gz FVZWXSQGNNFRND-WZRBSPASSA-N 3 2 254.378 -0.334 20 0 CBADLP CCC[N@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001219553215 824728114 /nfs/dbraw/zinc/72/81/14/824728114.db2.gz USFGOXWIWWJQMV-MNOVXSKESA-N 2 2 266.345 -0.086 20 0 CBADLP CCC[N@@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001219553215 824728119 /nfs/dbraw/zinc/72/81/19/824728119.db2.gz USFGOXWIWWJQMV-MNOVXSKESA-N 2 2 266.345 -0.086 20 0 CBADLP CC[N@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001219553042 824728176 /nfs/dbraw/zinc/72/81/76/824728176.db2.gz QNKVOAMBMQZBOP-ZJUUUORDSA-N 2 2 252.318 -0.477 20 0 CBADLP CC[N@@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001219553042 824728178 /nfs/dbraw/zinc/72/81/78/824728178.db2.gz QNKVOAMBMQZBOP-ZJUUUORDSA-N 2 2 252.318 -0.477 20 0 CBADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)NCC(F)F ZINC001219561335 824731365 /nfs/dbraw/zinc/73/13/65/824731365.db2.gz GGEPRQJQTYLFHW-MRVPVSSYSA-N 2 2 250.293 -0.882 20 0 CBADLP [NH3+][C@H](C(=O)NCCn1cc[nH+]c1)C1CC[NH2+]CC1 ZINC001219563708 824731384 /nfs/dbraw/zinc/73/13/84/824731384.db2.gz IZZHPIPRUJTRHQ-NSHDSACASA-N 3 2 251.334 -0.674 20 0 CBADLP O=C(NCCn1cc[nH+]c1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001219563664 824731668 /nfs/dbraw/zinc/73/16/68/824731668.db2.gz GPFRSNGBSPBYPV-DGCLKSJQSA-N 3 2 263.345 -0.802 20 0 CBADLP Cc1cc(C)n(CCNC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)n1 ZINC001219595672 824738830 /nfs/dbraw/zinc/73/88/30/824738830.db2.gz KIQAXZUVCKATFF-BZPMIXESSA-N 2 2 277.372 -0.162 20 0 CBADLP CS(=O)(=O)N(CC[NH3+])C(=O)[C@@H]([NH3+])CC1CCC1 ZINC001219595615 824739298 /nfs/dbraw/zinc/73/92/98/824739298.db2.gz ILFAEGOILLQQAL-VIFPVBQESA-N 2 2 263.363 -0.749 20 0 CBADLP Cc1cnc(CCNC(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)nc1 ZINC001219600698 824740393 /nfs/dbraw/zinc/74/03/93/824740393.db2.gz CZJIEVWOFQLWAI-FZMZJTMJSA-N 2 2 275.356 -0.605 20 0 CBADLP Cc1ccnc(CNC(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)n1 ZINC001219600200 824740528 /nfs/dbraw/zinc/74/05/28/824740528.db2.gz KZWPPZZRFCFBHG-NSHDSACASA-N 2 2 274.328 -0.295 20 0 CBADLP O=C(NC[C@H](O)c1ccco1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001219604441 824850108 /nfs/dbraw/zinc/85/01/08/824850108.db2.gz OSEHLSGRHZLSFK-KWBADKCTSA-N 2 2 265.313 -0.619 20 0 CBADLP Cc1cc(CNC(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)no1 ZINC001219604194 824850768 /nfs/dbraw/zinc/85/07/68/824850768.db2.gz KJBMAQFHUUTTRN-JOYOIKCWSA-N 2 2 250.302 -0.449 20 0 CBADLP O=C(NC[C@H](O)c1ccco1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001219604440 824851008 /nfs/dbraw/zinc/85/10/08/824851008.db2.gz OSEHLSGRHZLSFK-GBIKHYSHSA-N 2 2 265.313 -0.619 20 0 CBADLP O=C(NC[C@@H](O)c1ccco1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001219604460 824851027 /nfs/dbraw/zinc/85/10/27/824851027.db2.gz PEMRFQQAQBLGID-UKKRHICBSA-N 2 2 265.313 -0.621 20 0 CBADLP O=C(NC[C@H](O)c1ccco1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001219604459 824851640 /nfs/dbraw/zinc/85/16/40/824851640.db2.gz PEMRFQQAQBLGID-MMWGEVLESA-N 2 2 265.313 -0.621 20 0 CBADLP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@@H]1CCc2[nH+]ccn2C1 ZINC001219616052 824856073 /nfs/dbraw/zinc/85/60/73/824856073.db2.gz NDPAFXZESCXYPZ-UHIISALHSA-N 2 2 296.346 -0.376 20 0 CBADLP C[C@@]1(C(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)CC(F)(F)C[NH2+]1 ZINC001219618221 824858995 /nfs/dbraw/zinc/85/89/95/824858995.db2.gz ZJQMDTZFUTUPEL-INTQDDNPSA-N 2 2 295.305 -0.448 20 0 CBADLP CC(C)C[C@H](CO)NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001219630905 824865909 /nfs/dbraw/zinc/86/59/09/824865909.db2.gz MIRAEMZQSDEETE-WHOHXGKFSA-N 2 2 255.362 -0.541 20 0 CBADLP CC(C)C[C@H](CO)NC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001219631310 824865938 /nfs/dbraw/zinc/86/59/38/824865938.db2.gz WZBATDHGCPPHCT-WZRBSPASSA-N 2 2 255.362 -0.539 20 0 CBADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001219636032 824867448 /nfs/dbraw/zinc/86/74/48/824867448.db2.gz UWCRKMRSHDMKKX-NRPADANISA-N 3 2 255.297 -0.904 20 0 CBADLP Cn1c[nH+]c(CCNC(=O)[C@@H]([NH3+])CCCC[NH3+])c1 ZINC001219633917 824868283 /nfs/dbraw/zinc/86/82/83/824868283.db2.gz IVYQMROGDARCII-NSHDSACASA-N 3 2 253.350 -0.465 20 0 CBADLP C[C@H]1OCC[C@H]1CNC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001219634535 824868312 /nfs/dbraw/zinc/86/83/12/824868312.db2.gz ZIIBQVRPJYRWDL-LSCVPOLPSA-N 2 2 253.346 -0.521 20 0 CBADLP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)C1 ZINC001219641871 824869499 /nfs/dbraw/zinc/86/94/99/824869499.db2.gz MHGKWTSAOFDAGQ-KZVDOYCCSA-N 3 2 266.389 -0.700 20 0 CBADLP C[C@H]1C[NH2+]C[C@H](CNC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)C1 ZINC001219641158 824870332 /nfs/dbraw/zinc/87/03/32/824870332.db2.gz GBIQAMQGLKRTSA-SKENRDBWSA-N 3 2 266.389 -0.430 20 0 CBADLP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)C2([NH3+])CC[NH2+]CC2)C1 ZINC001219644576 824871085 /nfs/dbraw/zinc/87/10/85/824871085.db2.gz CPZKZLUCHOVMKN-QWRGUYRKSA-N 3 2 254.378 -0.571 20 0 CBADLP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H](N)C[NH+]2CCC([NH3+])CC2)C1 ZINC001219648996 824873448 /nfs/dbraw/zinc/87/34/48/824873448.db2.gz CZQMDVGJSZIKCA-OBJOEFQTSA-N 3 2 297.447 -0.901 20 0 CBADLP COC(=O)c1csc(CNC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])n1 ZINC001219669408 824876369 /nfs/dbraw/zinc/87/63/69/824876369.db2.gz XDPWEYWYURMVSB-BQBZGAKWSA-N 2 2 284.341 -0.907 20 0 CBADLP CN(C(=O)CCNC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2)C1CC1 ZINC001219693454 824880892 /nfs/dbraw/zinc/88/08/92/824880892.db2.gz YHYYXQZHXCTRLM-HZMBPMFUSA-N 2 2 280.372 -0.935 20 0 CBADLP C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CC[NH2+]C[C@@H]2F)C1 ZINC001219695227 824881074 /nfs/dbraw/zinc/88/10/74/824881074.db2.gz RSOLTECMXOHWJP-MXWKQRLJSA-N 2 2 259.325 -0.619 20 0 CBADLP C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CC[NH2+]C[C@@H]2F)C1 ZINC001219695227 824881080 /nfs/dbraw/zinc/88/10/80/824881080.db2.gz RSOLTECMXOHWJP-MXWKQRLJSA-N 2 2 259.325 -0.619 20 0 CBADLP C[NH+](C)CCCC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC001219694822 824881156 /nfs/dbraw/zinc/88/11/56/824881156.db2.gz MZVMRLNFNSROBN-OLZOCXBDSA-N 3 2 286.420 -0.508 20 0 CBADLP C[NH+](C)CCCC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC001219694822 824881160 /nfs/dbraw/zinc/88/11/60/824881160.db2.gz MZVMRLNFNSROBN-OLZOCXBDSA-N 3 2 286.420 -0.508 20 0 CBADLP C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[C@@H](OC(C)(C)C)C[NH2+]2)C1 ZINC001219695117 824881986 /nfs/dbraw/zinc/88/19/86/824881986.db2.gz PYKLMPODMKSHHC-AGIUHOORSA-N 2 2 299.415 -0.021 20 0 CBADLP C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[C@@H](OC(C)(C)C)C[NH2+]2)C1 ZINC001219695117 824881991 /nfs/dbraw/zinc/88/19/91/824881991.db2.gz PYKLMPODMKSHHC-AGIUHOORSA-N 2 2 299.415 -0.021 20 0 CBADLP O=C(NC1CC2(C1)CC[NH2+]CC2)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001219773480 824893578 /nfs/dbraw/zinc/89/35/78/824893578.db2.gz UKUVCAOHKSJVAG-IAQYHMDHSA-N 3 2 278.400 -0.414 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NC1CC2(C1)CC[NH2+]CC2 ZINC001219773466 824893940 /nfs/dbraw/zinc/89/39/40/824893940.db2.gz TZYJKRJVEGHZQQ-ZDUSSCGKSA-N 3 2 291.399 -0.062 20 0 CBADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001219800938 824896157 /nfs/dbraw/zinc/89/61/57/824896157.db2.gz PDUXSADUYVEPDP-PWSUYJOCSA-N 3 2 293.371 -0.836 20 0 CBADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001219850595 824903235 /nfs/dbraw/zinc/90/32/35/824903235.db2.gz YLTRJSQYJXFSMN-FTYKPCCVSA-N 3 2 293.371 -0.980 20 0 CBADLP O=C(N[C@@H]1SC(=O)NC1=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001219903743 824912015 /nfs/dbraw/zinc/91/20/15/824912015.db2.gz FWCRESKDVKGIAF-GMSGAONNSA-N 2 2 298.368 -0.714 20 0 CBADLP CN1C(=O)CCC12CCC(NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])CC2 ZINC001219896545 824912603 /nfs/dbraw/zinc/91/26/03/824912603.db2.gz XSNUYSSNHGDLOB-WVIDZAQPSA-N 2 2 294.399 -0.417 20 0 CBADLP Nc1ccccc1CNC(=O)[C@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001219927522 824917451 /nfs/dbraw/zinc/91/74/51/824917451.db2.gz PKDCKQPJFVDKDV-CQSZACIVSA-N 2 2 291.399 -0.365 20 0 CBADLP Cc1cc(CNC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)[nH]n1 ZINC001219943442 824918699 /nfs/dbraw/zinc/91/86/99/824918699.db2.gz JBGGSBGQNFTMSR-NSHDSACASA-N 2 2 251.334 -0.339 20 0 CBADLP Cc1cc(CNC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)n[nH]1 ZINC001219943442 824918703 /nfs/dbraw/zinc/91/87/03/824918703.db2.gz JBGGSBGQNFTMSR-NSHDSACASA-N 2 2 251.334 -0.339 20 0 CBADLP [NH3+]CC[C@H]([NH3+])C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC001219941022 824918926 /nfs/dbraw/zinc/91/89/26/824918926.db2.gz LJRDLJPXHLDCRA-ZDUSSCGKSA-N 3 2 298.431 -0.186 20 0 CBADLP N[C@@H](CC[NH3+])C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC001219941022 824918933 /nfs/dbraw/zinc/91/89/33/824918933.db2.gz LJRDLJPXHLDCRA-ZDUSSCGKSA-N 2 2 298.431 -0.186 20 0 CBADLP Cc1cc(CNC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)[nH]n1 ZINC001219943643 824919431 /nfs/dbraw/zinc/91/94/31/824919431.db2.gz SNOBTYSAMJXQIL-ZWNOBZJWSA-N 2 2 263.345 -0.467 20 0 CBADLP Cc1cc(CNC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)n[nH]1 ZINC001219943643 824919435 /nfs/dbraw/zinc/91/94/35/824919435.db2.gz SNOBTYSAMJXQIL-ZWNOBZJWSA-N 2 2 263.345 -0.467 20 0 CBADLP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)NCCc1[nH]cc(C)[nH+]1 ZINC001219952477 824920494 /nfs/dbraw/zinc/92/04/94/824920494.db2.gz VVDPOPKIRPZXEY-ZANVPECISA-N 2 2 295.387 -0.134 20 0 CBADLP Cc1c[nH]c(CCNC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)[nH+]1 ZINC001219952115 824921304 /nfs/dbraw/zinc/92/13/04/824921304.db2.gz ONCSJNNYPOEQSI-LBPRGKRZSA-N 3 2 265.361 -0.296 20 0 CBADLP Cc1c[nH]c(CCNC(=O)[C@@H]([NH3+])CCCC[NH3+])[nH+]1 ZINC001219952124 824921206 /nfs/dbraw/zinc/92/12/06/824921206.db2.gz PBFWBBGDKSPFPD-JTQLQIEISA-N 3 2 253.350 -0.167 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](NC(=O)CC2CC[NH2+]CC2)C[NH2+]1 ZINC001219965267 824924311 /nfs/dbraw/zinc/92/43/11/824924311.db2.gz GNBISWGXLRFSKO-MNOVXSKESA-N 2 2 269.345 -0.604 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H]2C[C@H](C)CC[NH2+]2)C[NH2+]1 ZINC001219965362 824924435 /nfs/dbraw/zinc/92/44/35/824924435.db2.gz KKUSHHQYTFYZDW-ZNSHCXBVSA-N 2 2 269.345 -0.606 20 0 CBADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)NC[C@H]1CCCCO1 ZINC001219978114 824928212 /nfs/dbraw/zinc/92/82/12/824928212.db2.gz DBOGGLIMGXCHJD-CHWSQXEVSA-N 2 2 284.404 -0.578 20 0 CBADLP COC(=O)[C@@H]([NH3+])CC(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC001219980925 824929137 /nfs/dbraw/zinc/92/91/37/824929137.db2.gz RFAIGTRUJHBCNJ-QWRGUYRKSA-N 2 2 271.361 -0.275 20 0 CBADLP COC(=O)[C@@H]([NH3+])CC(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC001219980925 824929142 /nfs/dbraw/zinc/92/91/42/824929142.db2.gz RFAIGTRUJHBCNJ-QWRGUYRKSA-N 2 2 271.361 -0.275 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NCC(=O)N1CCc2ccccc21 ZINC001219978933 824929755 /nfs/dbraw/zinc/92/97/55/824929755.db2.gz VOWILIXCSFPIPU-RYUDHWBXSA-N 2 2 288.351 -0.761 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC001220005087 824932666 /nfs/dbraw/zinc/93/26/66/824932666.db2.gz PSIUMYVAYQUGFF-KOLCDFICSA-N 2 2 279.344 -0.973 20 0 CBADLP COC(=O)CCCCCNC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220048591 824943380 /nfs/dbraw/zinc/94/33/80/824943380.db2.gz QIQXAIHMUYXWIL-RISCZKNCSA-N 2 2 283.372 -0.213 20 0 CBADLP CCCCOC(=O)[C@H](C)NC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220049195 824944179 /nfs/dbraw/zinc/94/41/79/824944179.db2.gz CEUZQFRFWWSZJR-MISXGVKJSA-N 2 2 283.372 -0.214 20 0 CBADLP C[C@@H](OC(C)(C)C)[C@@H]([NH3+])C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001220101158 824954592 /nfs/dbraw/zinc/95/45/92/824954592.db2.gz ATEXMZPBGJUBOV-NXEZZACHSA-N 3 2 287.408 -0.022 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@@H]1O ZINC001220099593 824954642 /nfs/dbraw/zinc/95/46/42/824954642.db2.gz TWPYQOLAPNOOGZ-AXFHLTTASA-N 2 2 252.318 -0.681 20 0 CBADLP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001220103136 824954784 /nfs/dbraw/zinc/95/47/84/824954784.db2.gz HXRSZTRVVKHADG-GFCCVEGCSA-N 4 2 292.387 -0.280 20 0 CBADLP CC(C)[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001220105834 824956270 /nfs/dbraw/zinc/95/62/70/824956270.db2.gz NOBAFCUFOFXWGJ-NEPJUHHUSA-N 2 2 266.345 -0.157 20 0 CBADLP CC(C)[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001220105834 824956276 /nfs/dbraw/zinc/95/62/76/824956276.db2.gz NOBAFCUFOFXWGJ-NEPJUHHUSA-N 2 2 266.345 -0.157 20 0 CBADLP COC[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001220106072 824957535 /nfs/dbraw/zinc/95/75/35/824957535.db2.gz YHSFWLLDOBHLRZ-UPJWGTAASA-N 2 2 296.371 -0.531 20 0 CBADLP COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001220106072 824957537 /nfs/dbraw/zinc/95/75/37/824957537.db2.gz YHSFWLLDOBHLRZ-UPJWGTAASA-N 2 2 296.371 -0.531 20 0 CBADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1cc[nH]c(=O)c1 ZINC001220148215 824969740 /nfs/dbraw/zinc/96/97/40/824969740.db2.gz QTVJECJOPPENPA-JTQLQIEISA-N 2 2 261.285 -0.304 20 0 CBADLP N=C(NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)c1nccs1 ZINC001220154208 824971435 /nfs/dbraw/zinc/97/14/35/824971435.db2.gz OKRUNHVMNNGNCG-BIIVOSGPSA-N 2 2 265.342 -0.465 20 0 CBADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N[C@H]2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC001220161586 824974924 /nfs/dbraw/zinc/97/49/24/824974924.db2.gz DHKMWSDXOKYIHI-ZJQBRPOHSA-N 3 2 266.389 -0.286 20 0 CBADLP COc1ccnc(C(=N)NC(=O)C2([NH3+])CC[NH2+]CC2)n1 ZINC001220183573 824981307 /nfs/dbraw/zinc/98/13/07/824981307.db2.gz SQRDDNNHPFRGSZ-UHFFFAOYSA-N 2 2 278.316 -0.992 20 0 CBADLP [NH3+]CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC001220186788 824982707 /nfs/dbraw/zinc/98/27/07/824982707.db2.gz VFLXVLLZSZKNDJ-UWVGGRQHSA-N 3 2 278.347 -0.196 20 0 CBADLP C[S@](=O)CC[C@H]([NH3+])C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC001220185146 824983210 /nfs/dbraw/zinc/98/32/10/824983210.db2.gz AKQGHLKHLQDTQO-OWXODZSWSA-N 2 2 297.371 -0.557 20 0 CBADLP N[C@]1(C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)CCC[NH2+]C1 ZINC001220186398 824983624 /nfs/dbraw/zinc/98/36/24/824983624.db2.gz PFVKHAOADOJNLD-GXSJLCMTSA-N 2 2 276.331 -0.572 20 0 CBADLP [NH3+]CCCC[C@H]([NH3+])C(=O)NCC1([NH+]2CCCC2)COC1 ZINC001220197883 824983897 /nfs/dbraw/zinc/98/38/97/824983897.db2.gz VHFXOYJWWWBJES-LBPRGKRZSA-N 3 2 284.404 -0.576 20 0 CBADLP O=C(C[C@@H]1COCC[NH2+]1)NCC1([NH+]2CCCC2)COC1 ZINC001220197795 824984586 /nfs/dbraw/zinc/98/45/86/824984586.db2.gz SARAXVCTLJBNMF-GFCCVEGCSA-N 2 2 283.372 -0.654 20 0 CBADLP O=C(NC1(c2cccnn2)CC1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220209743 824987149 /nfs/dbraw/zinc/98/71/49/824987149.db2.gz CJGRSTOJTZYJQV-QMTHXVAHSA-N 2 2 273.340 -0.467 20 0 CBADLP COC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001220221263 824989402 /nfs/dbraw/zinc/98/94/02/824989402.db2.gz XEIXKEJTLVSUIW-DCAQKATOSA-N 2 2 271.361 -0.134 20 0 CBADLP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220221022 824989453 /nfs/dbraw/zinc/98/94/53/824989453.db2.gz OAHYIIWSXBPNCG-PWNZVWSESA-N 3 2 280.416 -0.073 20 0 CBADLP O=C(NCCc1cnccn1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220243048 824992811 /nfs/dbraw/zinc/99/28/11/824992811.db2.gz NJGUBCQEQKCIGC-ZMLRMANQSA-N 2 2 261.329 -0.915 20 0 CBADLP C[NH+](C)CC(C)(C)CNC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220254711 824995632 /nfs/dbraw/zinc/99/56/32/824995632.db2.gz VBPDPHKJUAZLQT-FZMZJTMJSA-N 3 2 268.405 -0.358 20 0 CBADLP Cc1[nH+]c[nH]c1CSCCNC(=O)[C@@H]1C[NH2+]CCN1 ZINC001220257140 824997571 /nfs/dbraw/zinc/99/75/71/824997571.db2.gz OYYHYTAIQKWVGZ-JTQLQIEISA-N 2 2 283.401 -0.371 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N[C@@H]1CCc2n[nH]cc2C1 ZINC001220260840 824998506 /nfs/dbraw/zinc/99/85/06/824998506.db2.gz HZZTXDUJHFLPQQ-PWSUYJOCSA-N 2 2 288.355 -0.313 20 0 CBADLP [NH3+][C@@H](CC1CCC1)C(=O)N[C@@H](CO)Cc1c[nH]c[nH+]1 ZINC001220290801 825006780 /nfs/dbraw/zinc/00/67/80/825006780.db2.gz FAXZEQPZLDWHBO-NEPJUHHUSA-N 2 2 266.345 -0.053 20 0 CBADLP [NH3+][C@@H](CC1CCC1)C(=O)N[C@@H](CO)Cc1c[nH+]c[nH]1 ZINC001220290801 825006785 /nfs/dbraw/zinc/00/67/85/825006785.db2.gz FAXZEQPZLDWHBO-NEPJUHHUSA-N 2 2 266.345 -0.053 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCc2cc(F)cc3c2OCOC3)C1 ZINC001220294416 825007943 /nfs/dbraw/zinc/00/79/43/825007943.db2.gz TXADGZGTKCMPFN-NEPJUHHUSA-N 2 2 295.314 -0.002 20 0 CBADLP C[C@H](NC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2)c1cnn(C)c1 ZINC001220308240 825010229 /nfs/dbraw/zinc/01/02/29/825010229.db2.gz HRMMNUJNOFYVDL-XHVZSJERSA-N 2 2 263.345 -0.451 20 0 CBADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220316891 825013372 /nfs/dbraw/zinc/01/33/72/825013372.db2.gz UMJBYDSKNMAEMN-MBNYWOFBSA-N 3 2 293.371 -0.693 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N[C@@H]1CC12CCOCC2 ZINC001220329108 825014645 /nfs/dbraw/zinc/01/46/45/825014645.db2.gz GRDRGODIXVSZNK-NWDGAFQWSA-N 2 2 278.356 -0.025 20 0 CBADLP [NH3+]C1(C(=O)N[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)CC[NH2+]CC1 ZINC001220321448 825014819 /nfs/dbraw/zinc/01/48/19/825014819.db2.gz UFCXUUUQWYEQAW-DGCLKSJQSA-N 3 2 282.388 -0.905 20 0 CBADLP Cc1cc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)n(N)c(=O)c1 ZINC001220323830 825015327 /nfs/dbraw/zinc/01/53/27/825015327.db2.gz NQOIPJKVIOQZDF-JTQLQIEISA-N 2 2 290.327 -0.887 20 0 CBADLP [NH3+]C1(C(=O)N[C@H]2CO[C@]3(C2)CCC[NH2+]C3)CC[NH2+]CC1 ZINC001220321450 825015499 /nfs/dbraw/zinc/01/54/99/825015499.db2.gz UFCXUUUQWYEQAW-YPMHNXCESA-N 3 2 282.388 -0.905 20 0 CBADLP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001220334062 825016757 /nfs/dbraw/zinc/01/67/57/825016757.db2.gz ZYOKKHLJVFWQGO-QWRGUYRKSA-N 2 2 295.391 -0.694 20 0 CBADLP COc1ccc(CNC(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)nn1 ZINC001220342944 825018584 /nfs/dbraw/zinc/01/85/84/825018584.db2.gz BQSFGLAIUSLGJP-NOZJJQNGSA-N 2 2 277.328 -0.947 20 0 CBADLP [NH3+]C1(C(=O)NCc2ccc(Cl)nn2)CC[NH2+]CC1 ZINC001220369637 825021370 /nfs/dbraw/zinc/02/13/70/825021370.db2.gz ZEMOVOIFRBWSNK-UHFFFAOYSA-N 2 2 269.736 -0.173 20 0 CBADLP [NH3+]CC[C@H]([NH3+])C(=O)N1CCCc2ccc(C[NH3+])nc21 ZINC001220377053 825023870 /nfs/dbraw/zinc/02/38/70/825023870.db2.gz ISGCWRUVBFINIR-NSHDSACASA-N 3 2 263.345 -0.504 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NCC1(O)CCC1 ZINC001220384040 825026349 /nfs/dbraw/zinc/02/63/49/825026349.db2.gz HOFDGHHJBPJCSE-JTQLQIEISA-N 2 2 252.318 -0.679 20 0 CBADLP C=CC(=O)NCCNC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001220396595 825028296 /nfs/dbraw/zinc/02/82/96/825028296.db2.gz DRLVTONERDYXIL-GFCCVEGCSA-N 2 2 276.340 -0.323 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCC23CC[NH+](CC2)CC3)C1 ZINC001220394298 825029021 /nfs/dbraw/zinc/02/90/21/825029021.db2.gz DHWFWPPPRINTET-MNOVXSKESA-N 3 2 252.362 -0.722 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NC[C@@H](CO)Cc1ccccc1 ZINC001220406141 825032710 /nfs/dbraw/zinc/03/27/10/825032710.db2.gz LBIHVQUDRIRCLA-IHRRRGAJSA-N 2 2 277.368 -0.500 20 0 CBADLP COC(=O)[C@@H]1CC[C@H](NC(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)C1 ZINC001220406695 825033488 /nfs/dbraw/zinc/03/34/88/825033488.db2.gz VXSKTLDYEFAOHJ-NJBDSQKTSA-N 2 2 281.356 -0.604 20 0 CBADLP CCS(=O)(=O)c1ccc(CNC(=O)[C@@H]([NH3+])CC[NH3+])cc1 ZINC001220489921 825048153 /nfs/dbraw/zinc/04/81/53/825048153.db2.gz MFUBIGDHHQFRIW-LBPRGKRZSA-N 2 2 299.396 -0.228 20 0 CBADLP [NH3+]C1(CNC(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)CCCC1 ZINC001220494546 825050449 /nfs/dbraw/zinc/05/04/49/825050449.db2.gz MVFVKHGWNXIONB-MFKMUULPSA-N 3 2 252.362 -0.674 20 0 CBADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001220583118 825070785 /nfs/dbraw/zinc/07/07/85/825070785.db2.gz PCZMWKQOHFJYCB-MNOVXSKESA-N 2 2 261.341 -0.541 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NCc1cccc2ccnn21 ZINC001220553993 825060718 /nfs/dbraw/zinc/06/07/18/825060718.db2.gz WRXJKAMWMAVPOF-RYUDHWBXSA-N 2 2 259.313 -0.503 20 0 CBADLP C[NH+](C)CCCC[C@H]([NH3+])C(=O)NCC[NH+]1CC2(COC2)C1 ZINC001220571004 825062970 /nfs/dbraw/zinc/06/29/70/825062970.db2.gz GIBGWKOTQCTCBD-ZDUSSCGKSA-N 3 2 298.431 -0.506 20 0 CBADLP C[C@@H]1COCC[C@H]1NC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001220564803 825063171 /nfs/dbraw/zinc/06/31/71/825063171.db2.gz GFFREUGCDDLFBJ-ADEWGFFLSA-N 2 2 266.345 -0.169 20 0 CBADLP C[C@@H]1COCC[C@H]1NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001220565885 825064093 /nfs/dbraw/zinc/06/40/93/825064093.db2.gz UNFOTKHQRJTGQQ-CJJWORHMSA-N 2 2 253.346 -0.251 20 0 CBADLP C[C@@H]1CC[NH2+][C@H](C(=O)NCC[NH+]2CC3(COC3)C2)C1 ZINC001220571697 825065542 /nfs/dbraw/zinc/06/55/42/825065542.db2.gz XKAHVTSRGFICNF-NEPJUHHUSA-N 2 2 267.373 -0.177 20 0 CBADLP O=C(NCC[NH+]1CC2(COC2)C1)[C@@H]1CCCC[NH2+]1 ZINC001220571345 825066995 /nfs/dbraw/zinc/06/69/95/825066995.db2.gz OXLLRSIHYKHSOS-NSHDSACASA-N 2 2 253.346 -0.423 20 0 CBADLP COC(=O)[C@H](NC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2)C(F)(F)F ZINC001220588454 825070267 /nfs/dbraw/zinc/07/02/67/825070267.db2.gz UAWAQVYJDZAYGU-BYULHYEWSA-N 2 2 295.261 -0.842 20 0 CBADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCF)C[C@@H]1O ZINC001220583118 825070776 /nfs/dbraw/zinc/07/07/76/825070776.db2.gz PCZMWKQOHFJYCB-MNOVXSKESA-N 2 2 261.341 -0.541 20 0 CBADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N[C@@H]2CNc3ccccc3C2)C1 ZINC001220601949 825075737 /nfs/dbraw/zinc/07/57/37/825075737.db2.gz PNLXXAPACSKXNN-GVXVVHGQSA-N 2 2 260.341 -0.171 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N[C@@H]1NC(=O)c2ccccc21 ZINC001220620542 825076969 /nfs/dbraw/zinc/07/69/69/825076969.db2.gz XZWVBTYRXZKHEC-DCAQKATOSA-N 2 2 260.297 -0.909 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCc2ccc(-n3cccn3)nc2)C1 ZINC001220673537 825083304 /nfs/dbraw/zinc/08/33/04/825083304.db2.gz BXRPJSGXZYSHFU-NEPJUHHUSA-N 2 2 286.339 -0.427 20 0 CBADLP O=C(N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220681114 825084027 /nfs/dbraw/zinc/08/40/27/825084027.db2.gz VYPSPBHSSSGJDI-DHRKEOQWSA-N 3 2 278.400 -0.274 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NCc1cc(-c2ccncc2)n[nH]1 ZINC001220695417 825086596 /nfs/dbraw/zinc/08/65/96/825086596.db2.gz ZZNRZUURNGSEMX-RYUDHWBXSA-N 2 2 286.339 -0.365 20 0 CBADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCF)C[C@@H]1O ZINC001220688553 825087803 /nfs/dbraw/zinc/08/78/03/825087803.db2.gz JXHSDNUKRUEKJB-MNOVXSKESA-N 2 2 261.341 -0.541 20 0 CBADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCF)C[C@@H]1O ZINC001220688553 825087809 /nfs/dbraw/zinc/08/78/09/825087809.db2.gz JXHSDNUKRUEKJB-MNOVXSKESA-N 2 2 261.341 -0.541 20 0 CBADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCF)C[C@@H]1O ZINC001220688553 825087813 /nfs/dbraw/zinc/08/78/13/825087813.db2.gz JXHSDNUKRUEKJB-MNOVXSKESA-N 2 2 261.341 -0.541 20 0 CBADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001220688553 825087818 /nfs/dbraw/zinc/08/78/18/825087818.db2.gz JXHSDNUKRUEKJB-MNOVXSKESA-N 2 2 261.341 -0.541 20 0 CBADLP O=C(NCC1Oc2ccccc2O1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220709296 825089281 /nfs/dbraw/zinc/08/92/81/825089281.db2.gz VZDVIVOOJQZPAY-GARJFASQSA-N 2 2 289.335 -0.150 20 0 CBADLP C[C@H]1COCCN1CCNC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001220725197 825092813 /nfs/dbraw/zinc/09/28/13/825092813.db2.gz NXDREOMOFVHWTQ-SFTQSGBHSA-N 2 2 282.388 -0.955 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001220743880 825095453 /nfs/dbraw/zinc/09/54/53/825095453.db2.gz UCIBZACUIPBHIM-RISCZKNCSA-N 3 2 289.383 -0.144 20 0 CBADLP COC(CCCNC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2)OC ZINC001220741722 825095902 /nfs/dbraw/zinc/09/59/02/825095902.db2.gz QRQNODJLKQWOFH-MFKMUULPSA-N 2 2 271.361 -0.547 20 0 CBADLP COC(=O)CC1(NC(=O)C2([NH3+])CC[NH2+]CC2)CCOCC1 ZINC001220731351 825095997 /nfs/dbraw/zinc/09/59/97/825095997.db2.gz LTGWQRAMVMZMCM-UHFFFAOYSA-N 2 2 299.371 -0.704 20 0 CBADLP CC(=O)NCCCCCNC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001220758075 825096915 /nfs/dbraw/zinc/09/69/15/825096915.db2.gz BCJKGYOTPVATGD-MNOVXSKESA-N 2 2 256.350 -0.902 20 0 CBADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)C1([NH3+])CC1 ZINC001220768968 825100189 /nfs/dbraw/zinc/10/01/89/825100189.db2.gz FUONRQTWWTZERB-VIFPVBQESA-N 2 2 266.301 -0.888 20 0 CBADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)[C@@]1(C)CC[NH2+]C1 ZINC001220772938 825100669 /nfs/dbraw/zinc/10/06/69/825100669.db2.gz WFKSZUHNRWQIKA-RISCZKNCSA-N 2 2 294.355 -0.380 20 0 CBADLP COC(=O)[C@@H]([NH3+])CC(=O)N[C@@]12CC[C@@]([NH3+])(C1)CCC2 ZINC001220777024 825100693 /nfs/dbraw/zinc/10/06/93/825100693.db2.gz CNIXRPQBGRFYHD-BIMULSAOSA-N 2 2 269.345 -0.203 20 0 CBADLP [NH3+][C@@]12CC[C@@](NC(=O)[C@@H]3C[C@H]4C[NH2+]C[C@H]4[NH2+]3)(C1)CCC2 ZINC001220777679 825100977 /nfs/dbraw/zinc/10/09/77/825100977.db2.gz ZNEBMDKZFNEILI-ZZVJUGKHSA-N 3 2 278.400 -0.143 20 0 CBADLP [NH3+]C1(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C(F)(F)F)CC[NH2+]CC1 ZINC001220803492 825104150 /nfs/dbraw/zinc/10/41/50/825104150.db2.gz HSRQOLWPMGLWQM-DTWKUNHWSA-N 3 2 294.321 -0.276 20 0 CBADLP CCOC(=O)[C@H](C)CNC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001220849262 825111973 /nfs/dbraw/zinc/11/19/73/825111973.db2.gz XMMQBOFEDIPWNS-KOLCDFICSA-N 2 2 282.344 -0.395 20 0 CBADLP O=C(NCCO[C@@H]1CCCCO1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220861787 825113802 /nfs/dbraw/zinc/11/38/02/825113802.db2.gz DOTVSVNBLQWQOB-WUHRBBMRSA-N 2 2 283.372 -0.404 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCCO[C@H]2CCCCO2)C1 ZINC001220861801 825114079 /nfs/dbraw/zinc/11/40/79/825114079.db2.gz FBHDDHRDNSECRI-VWYCJHECSA-N 2 2 257.334 -0.665 20 0 CBADLP CC[C@H](COC)NC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001220863998 825115254 /nfs/dbraw/zinc/11/52/54/825115254.db2.gz OCLPKXXYAARUAL-KOLCDFICSA-N 2 2 254.334 -0.169 20 0 CBADLP C[C@@H]([NH3+])c1ncc(C(=O)NCCN2CC[NH2+]CC2=O)s1 ZINC001220874624 825118636 /nfs/dbraw/zinc/11/86/36/825118636.db2.gz JPSKCBGKXHRTMR-MRVPVSSYSA-N 2 2 297.384 -0.676 20 0 CBADLP COC(=O)[C@@H]1C[C@@H]1CNC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001220882735 825120376 /nfs/dbraw/zinc/12/03/76/825120376.db2.gz ZVDFCJYWILYBCU-IEBDPFPHSA-N 2 2 280.328 -0.785 20 0 CBADLP CC[N@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@@H](O)C1 ZINC001220888944 825120923 /nfs/dbraw/zinc/12/09/23/825120923.db2.gz ZWJXCKDNCMDJCQ-NEPJUHHUSA-N 2 2 266.345 -0.466 20 0 CBADLP CC[N@@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@@H](O)C1 ZINC001220888944 825120925 /nfs/dbraw/zinc/12/09/25/825120925.db2.gz ZWJXCKDNCMDJCQ-NEPJUHHUSA-N 2 2 266.345 -0.466 20 0 CBADLP COC(=O)[C@@H]1C[C@H](C(=O)N[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001220887283 825121152 /nfs/dbraw/zinc/12/11/52/825121152.db2.gz YYPAQMIRRPVJRS-VWYCJHECSA-N 2 2 269.345 -0.604 20 0 CBADLP CCC[N@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@@H](O)C1 ZINC001220888231 825121165 /nfs/dbraw/zinc/12/11/65/825121165.db2.gz HDVFBWUTUBZUCZ-OLZOCXBDSA-N 2 2 280.372 -0.076 20 0 CBADLP CCC[N@@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@@H](O)C1 ZINC001220888231 825121169 /nfs/dbraw/zinc/12/11/69/825121169.db2.gz HDVFBWUTUBZUCZ-OLZOCXBDSA-N 2 2 280.372 -0.076 20 0 CBADLP CCC(=O)N1CC[C@H](NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)C1 ZINC001220906943 825122650 /nfs/dbraw/zinc/12/26/50/825122650.db2.gz DDOWQOXLPKSQAN-ONGXEEELSA-N 2 2 279.344 -0.593 20 0 CBADLP COCc1ccc(CNC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])cc1 ZINC001220934364 825125877 /nfs/dbraw/zinc/12/58/77/825125877.db2.gz OGYSUBYHWHSUMU-STQMWFEESA-N 2 2 263.341 -0.004 20 0 CBADLP N[C@]1(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC[NH2+]C1 ZINC001220934459 825126168 /nfs/dbraw/zinc/12/61/68/825126168.db2.gz OPAPMQBOOHCNMH-BXUZGUMPSA-N 2 2 275.356 -0.533 20 0 CBADLP [NH3+]CC[C@H]([NH3+])C(=O)N(c1ccncn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001220941033 825127875 /nfs/dbraw/zinc/12/78/75/825127875.db2.gz KVRXWWWVCOLBNF-SRVKXCTJSA-N 3 2 292.387 -0.244 20 0 CBADLP CCOC(=O)[C@@H]1CCOC[C@@H]1NC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001220960494 825130711 /nfs/dbraw/zinc/13/07/11/825130711.db2.gz QELNPKLMAWUQLI-MNOVXSKESA-N 2 2 299.371 -0.848 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCC2(c3cnccn3)CC2)C1 ZINC001220992185 825132784 /nfs/dbraw/zinc/13/27/84/825132784.db2.gz HFXXRHBNWTUQJP-ZJUUUORDSA-N 2 2 261.329 -0.686 20 0 CBADLP C[C@@H]1C[C@H](NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)CCO1 ZINC001221007809 825133651 /nfs/dbraw/zinc/13/36/51/825133651.db2.gz DJGYYCLSMILKFM-FXPVBKGRSA-N 2 2 252.318 -0.037 20 0 CBADLP C[NH+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2COC[NH2+]2)CC1 ZINC001221006348 825133762 /nfs/dbraw/zinc/13/37/62/825133762.db2.gz FHXITTLNYNINHV-SRVKXCTJSA-N 2 2 298.387 -0.963 20 0 CBADLP COc1cc(C)[nH]c(=O)c1CNC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001221015637 825137710 /nfs/dbraw/zinc/13/77/10/825137710.db2.gz NIAPRADFRXDKBT-UHFFFAOYSA-N 2 2 294.355 -0.199 20 0 CBADLP [NH3+]C1(C(=O)NCc2cn(CC3CC3)cn2)CC[NH2+]CC1 ZINC001221023419 825138244 /nfs/dbraw/zinc/13/82/44/825138244.db2.gz KYWMVMNIFMEUPE-UHFFFAOYSA-N 2 2 277.372 -0.010 20 0 CBADLP Cc1nccnc1CNC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001221103345 825144097 /nfs/dbraw/zinc/14/40/97/825144097.db2.gz KMRSHICQIFBEBE-JBLDHEPKSA-N 2 2 261.329 -0.649 20 0 CBADLP COCCC1([NH3+])CCN(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)CC1 ZINC001221134174 825146389 /nfs/dbraw/zinc/14/63/89/825146389.db2.gz OHNPCGUDALKMKG-MNOVXSKESA-N 3 2 270.377 -0.968 20 0 CBADLP COCCC1([NH3+])CCN(C(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)CC1 ZINC001221134100 825147061 /nfs/dbraw/zinc/14/70/61/825147061.db2.gz KZZCVYHSFHHKIM-IUODEOHRSA-N 3 2 296.415 -0.706 20 0 CBADLP CCOC(=O)/C=C(/NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])OCC ZINC001221262820 825163137 /nfs/dbraw/zinc/16/31/37/825163137.db2.gz QOJMPUPNWOWPOG-KWXWZAANSA-N 2 2 271.317 -0.910 20 0 CBADLP CCOC(=O)/C=C(/NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)OCC ZINC001221262782 825164454 /nfs/dbraw/zinc/16/44/54/825164454.db2.gz PJCZALVGWUKLCW-QJXKICHHSA-N 2 2 271.317 -0.767 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NCc1cnc(Cl)cn1 ZINC001221319413 825170875 /nfs/dbraw/zinc/17/08/75/825170875.db2.gz ZJGAUOXPXMDYFH-YUMQZZPRSA-N 2 2 255.709 -0.707 20 0 CBADLP Nc1cn(C(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)c(N)nc1=O ZINC001221329824 825172422 /nfs/dbraw/zinc/17/24/22/825172422.db2.gz MCGHDJVQZLBSLT-VIFPVBQESA-N 2 2 288.311 -0.703 20 0 CBADLP Cc1cnc(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)c(=O)[nH]1 ZINC001221329928 825172499 /nfs/dbraw/zinc/17/24/99/825172499.db2.gz SKTPDLIAALBQFZ-RWYTXXIDSA-N 2 2 263.301 -0.761 20 0 CBADLP Nc1cn(C(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)c(N)nc1=O ZINC001221329823 825172674 /nfs/dbraw/zinc/17/26/74/825172674.db2.gz MCGHDJVQZLBSLT-SECBINFHSA-N 2 2 288.311 -0.703 20 0 CBADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)NC[C@@H](O)CF)cc1 ZINC001221337744 825173411 /nfs/dbraw/zinc/17/34/11/825173411.db2.gz MCYJBDUDMJMVKR-QWRGUYRKSA-N 2 2 255.293 -0.295 20 0 CBADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C[NH2+]CC[C@H]1F ZINC001221367136 825176243 /nfs/dbraw/zinc/17/62/43/825176243.db2.gz XQDFIEYLSBAHOF-OPRDCNLKSA-N 3 2 255.297 -0.904 20 0 CBADLP COC1CC(CNC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)C1 ZINC001221366322 825176635 /nfs/dbraw/zinc/17/66/35/825176635.db2.gz HATIYWTXYVBWJD-PGTPCPKXSA-N 2 2 253.346 -0.523 20 0 CBADLP COC(=O)C12CCC(NC(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)(CC1)C2 ZINC001221366900 825176685 /nfs/dbraw/zinc/17/66/85/825176685.db2.gz WLWNUFOIEFTFSL-JZNMGUDDSA-N 2 2 281.356 -0.332 20 0 CBADLP COC1CC(CNC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)C1 ZINC001221366612 825176718 /nfs/dbraw/zinc/17/67/18/825176718.db2.gz JAMUZYJLEDRLTC-BOBPJJCASA-N 2 2 252.318 -0.179 20 0 CBADLP O=C(NC[C@@H](CO)c1ccccc1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001221377418 825179190 /nfs/dbraw/zinc/17/91/90/825179190.db2.gz NMPFEZFGGGCEKE-SQWLQELKSA-N 2 2 289.379 -0.170 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NCc1ccc2oc(=O)[nH]c2c1 ZINC001221385386 825180175 /nfs/dbraw/zinc/18/01/75/825180175.db2.gz OKZAFFRGMUQWIH-IUCAKERBSA-N 2 2 276.296 -0.304 20 0 CBADLP C[C@H](NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)c1ccno1 ZINC001221397144 825181319 /nfs/dbraw/zinc/18/13/19/825181319.db2.gz KTUJGRNRDBSBLH-AATLWQCWSA-N 2 2 250.302 -0.198 20 0 CBADLP COCC1(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])Cc2ccccc2C1 ZINC001221395935 825181470 /nfs/dbraw/zinc/18/14/70/825181470.db2.gz HSDCOTXXTQZNOU-KBPBESRZSA-N 2 2 289.379 -0.167 20 0 CBADLP [NH3+]CC(=O)N1CCC[C@H]1C(=O)NCCOc1cc[nH+]cc1 ZINC001221393495 825181616 /nfs/dbraw/zinc/18/16/16/825181616.db2.gz DVJXUVIDEVPPPI-LBPRGKRZSA-N 2 2 292.339 -0.474 20 0 CBADLP O=C(NCCOc1cc[nH+]cc1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001221393662 825181756 /nfs/dbraw/zinc/18/17/56/825181756.db2.gz LFQAEEZUDOFQRN-MWLCHTKSSA-N 2 2 251.286 -0.701 20 0 CBADLP COc1cccc([C@H](C[NH3+])NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)c1 ZINC001221402710 825182601 /nfs/dbraw/zinc/18/26/01/825182601.db2.gz CTQHZEYYUYAOLU-WXHSDQCUSA-N 3 2 278.356 -0.500 20 0 CBADLP COc1cccc([C@@H](C[NH3+])NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)c1 ZINC001221402708 825182871 /nfs/dbraw/zinc/18/28/71/825182871.db2.gz CTQHZEYYUYAOLU-KGYLQXTDSA-N 3 2 278.356 -0.500 20 0 CBADLP C[C@]1(NC(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)CCCOC1 ZINC001221402346 825183207 /nfs/dbraw/zinc/18/32/07/825183207.db2.gz DRZHZOZYMHITPE-KGYLQXTDSA-N 2 2 253.346 -0.377 20 0 CBADLP CC[NH+](CC)CC(=O)N1C[C@H]2CC[N@H+](CC(=O)NC)C[C@H]21 ZINC001221878177 825197845 /nfs/dbraw/zinc/19/78/45/825197845.db2.gz FOITUZLIUZCWLH-CHWSQXEVSA-N 2 2 296.415 -0.393 20 0 CBADLP CC[NH+](CC)CC(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC)C[C@H]21 ZINC001221878177 825197850 /nfs/dbraw/zinc/19/78/50/825197850.db2.gz FOITUZLIUZCWLH-CHWSQXEVSA-N 2 2 296.415 -0.393 20 0 CBADLP Cn1cc(C[N@@H+]2CCC[C@]23CCC[NH2+]C3)c(=O)n(C)c1=O ZINC001222250004 825205962 /nfs/dbraw/zinc/20/59/62/825205962.db2.gz YRUGFWMWCRQVJL-HNNXBMFYSA-N 2 2 292.383 -0.198 20 0 CBADLP Cn1cc(C[N@H+]2CCC[C@]23CCC[NH2+]C3)c(=O)n(C)c1=O ZINC001222250004 825205969 /nfs/dbraw/zinc/20/59/69/825205969.db2.gz YRUGFWMWCRQVJL-HNNXBMFYSA-N 2 2 292.383 -0.198 20 0 CBADLP COC(=O)CCC[N@@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222491805 825212302 /nfs/dbraw/zinc/21/23/02/825212302.db2.gz JAQNVYOVYWXWCU-RYUDHWBXSA-N 2 2 255.362 -0.035 20 0 CBADLP COC(=O)CCC[N@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222491805 825212307 /nfs/dbraw/zinc/21/23/07/825212307.db2.gz JAQNVYOVYWXWCU-RYUDHWBXSA-N 2 2 255.362 -0.035 20 0 CBADLP c1c(CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)nc2n1CC[NH2+]C2 ZINC001222497551 825212964 /nfs/dbraw/zinc/21/29/64/825212964.db2.gz PCXKBACOIDIVNL-KBPBESRZSA-N 3 2 290.415 -0.488 20 0 CBADLP C[N@@H+]1[C@@H]2C[C@@H](OCC(=O)N3CC[NH+](C)CC3)[C@H]1CC(=O)C2 ZINC001222537040 825214029 /nfs/dbraw/zinc/21/40/29/825214029.db2.gz NGMNYXRSHGTICN-IACUBPJLSA-N 2 2 295.383 -0.419 20 0 CBADLP C[N@H+]1[C@@H]2C[C@@H](OCC(=O)N3CC[NH+](C)CC3)[C@H]1CC(=O)C2 ZINC001222537040 825214039 /nfs/dbraw/zinc/21/40/39/825214039.db2.gz NGMNYXRSHGTICN-IACUBPJLSA-N 2 2 295.383 -0.419 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NCC1CC[NH+](CCO)CC1 ZINC001225174173 825255067 /nfs/dbraw/zinc/25/50/67/825255067.db2.gz IORHFBSDNIPFGO-UHFFFAOYSA-N 2 2 280.372 -0.217 20 0 CBADLP C(C[N@@H+]1CCN2CC[NH2+]C[C@H]2C1)C1CC[NH2+]CC1 ZINC001234976799 825478855 /nfs/dbraw/zinc/47/88/55/825478855.db2.gz WKFXIQOTYJVSCC-AWEZNQCLSA-N 3 2 252.406 -0.035 20 0 CBADLP C(C[N@H+]1CCN2CC[NH2+]C[C@H]2C1)C1CC[NH2+]CC1 ZINC001234976799 825478858 /nfs/dbraw/zinc/47/88/58/825478858.db2.gz WKFXIQOTYJVSCC-AWEZNQCLSA-N 3 2 252.406 -0.035 20 0 CBADLP CNC(=O)C[N@@H+]1CCCC12CC[NH+](CCO)CC2 ZINC001235491232 825497428 /nfs/dbraw/zinc/49/74/28/825497428.db2.gz WLKHUVHRDUTLCQ-UHFFFAOYSA-N 2 2 255.362 -0.345 20 0 CBADLP CNC(=O)C[N@H+]1CCCC12CC[NH+](CCO)CC2 ZINC001235491232 825497434 /nfs/dbraw/zinc/49/74/34/825497434.db2.gz WLKHUVHRDUTLCQ-UHFFFAOYSA-N 2 2 255.362 -0.345 20 0 CBADLP [NH3+]CC[N@@H+]1CC[C@H]2OCC[C@@H](C(=O)NC3CC3)[C@H]2C1 ZINC001235489780 825497803 /nfs/dbraw/zinc/49/78/03/825497803.db2.gz JGHXAGPQAIDTKC-JHJVBQTASA-N 2 2 267.373 -0.049 20 0 CBADLP [NH3+]CC[N@H+]1CC[C@H]2OCC[C@@H](C(=O)NC3CC3)[C@H]2C1 ZINC001235489780 825497807 /nfs/dbraw/zinc/49/78/07/825497807.db2.gz JGHXAGPQAIDTKC-JHJVBQTASA-N 2 2 267.373 -0.049 20 0 CBADLP Cn1cc(C[N@@H+]2C[C@H]3CC[C@]3([NH3+])C2)c(=O)n(C)c1=O ZINC001235987063 825519994 /nfs/dbraw/zinc/51/99/94/825519994.db2.gz DCNSELYQJWVGAH-MFKMUULPSA-N 2 2 264.329 -0.993 20 0 CBADLP Cn1cc(C[N@H+]2C[C@H]3CC[C@]3([NH3+])C2)c(=O)n(C)c1=O ZINC001235987063 825520001 /nfs/dbraw/zinc/52/00/01/825520001.db2.gz DCNSELYQJWVGAH-MFKMUULPSA-N 2 2 264.329 -0.993 20 0 CBADLP [NH3+]CC[NH2+]CCNS(=O)(=O)C(Cl)(Cl)Cl ZINC001238838623 825566057 /nfs/dbraw/zinc/56/60/57/825566057.db2.gz LEHXOOMXPLCOEP-UHFFFAOYSA-N 2 2 284.596 -0.218 20 0 CBADLP COC(=O)[C@H]([NH3+])C1CCN(C[C@@H]2C[NH2+]C(C)(C)O2)CC1 ZINC001236067908 825522979 /nfs/dbraw/zinc/52/29/79/825522979.db2.gz RMJRTLJIFYFBOB-NWDGAFQWSA-N 2 2 285.388 -0.077 20 0 CBADLP CCn1c[nH+]cc1CN1C[C@H]([NH3+])C[C@H]1C(=O)OC ZINC001236203026 825525353 /nfs/dbraw/zinc/52/53/53/825525353.db2.gz XNTXTWAPDZPUDT-KOLCDFICSA-N 2 2 252.318 -0.022 20 0 CBADLP COC(=O)[C@H]1C[N@H+](CC2(C)CC[NH2+]CC2)C[C@H]1[NH3+] ZINC001236340018 825526452 /nfs/dbraw/zinc/52/64/52/825526452.db2.gz GWULVILKTCXGEO-WDEREUQCSA-N 3 2 255.362 -0.192 20 0 CBADLP COC(=O)[C@H]1C[N@@H+](CC2(C)CC[NH2+]CC2)C[C@H]1[NH3+] ZINC001236340018 825526457 /nfs/dbraw/zinc/52/64/57/825526457.db2.gz GWULVILKTCXGEO-WDEREUQCSA-N 3 2 255.362 -0.192 20 0 CBADLP [NH3+]CCS(=O)(=O)NCc1c[nH+]c2ccc(F)cn12 ZINC001238919770 825572076 /nfs/dbraw/zinc/57/20/76/825572076.db2.gz OVWAPOGJCWKUJY-UHFFFAOYSA-N 2 2 272.305 -0.149 20 0 CBADLP [NH3+]CCS(=O)(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC001238933248 825573512 /nfs/dbraw/zinc/57/35/12/825573512.db2.gz HKKAQQLEBHTPBS-UHFFFAOYSA-N 2 2 284.385 -0.118 20 0 CBADLP O=S(=O)(CC1CC[NH2+]CC1)N1CC[NH2+]C[C@H](F)C1 ZINC001238989225 825581594 /nfs/dbraw/zinc/58/15/94/825581594.db2.gz QNUBZFOUZFHGEG-NSHDSACASA-N 2 2 279.381 -0.441 20 0 CBADLP O=S(=O)(CC1CC[NH2+]CC1)N1CC[NH2+][C@H]2C[C@H]21 ZINC001239061175 825584237 /nfs/dbraw/zinc/58/42/37/825584237.db2.gz XUWPXALFNPRLRP-WDEREUQCSA-N 2 2 259.375 -0.638 20 0 CBADLP [NH3+]CCS(=O)(=O)N1CC([NH+]2CCC(F)CC2)C1 ZINC001239097141 825586820 /nfs/dbraw/zinc/58/68/20/825586820.db2.gz KLCPIQADJOUSBX-UHFFFAOYSA-N 2 2 265.354 -0.607 20 0 CBADLP C[NH+]1CC2(CN(S(=O)(=O)CC3CC[NH2+]CC3)C2)C1 ZINC001239174797 825596786 /nfs/dbraw/zinc/59/67/86/825596786.db2.gz NRSZDZZSGWUCTE-UHFFFAOYSA-N 2 2 273.402 -0.437 20 0 CBADLP CC(C)NC(=S)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001239438459 825604070 /nfs/dbraw/zinc/60/40/70/825604070.db2.gz FKHNRECJUBKMAJ-UHFFFAOYSA-N 2 2 273.450 -0.646 20 0 CBADLP O[C@@H](CN[C@@H]1C[NH2+]CC12CC2)C[NH+]1CCOCC1 ZINC001245988307 825617945 /nfs/dbraw/zinc/61/79/45/825617945.db2.gz VDWHLKXNEPSDNI-NWDGAFQWSA-N 2 2 255.362 -0.979 20 0 CBADLP O[C@H](CN[C@H]1C[NH2+]CC12CC2)C[NH+]1CCOCC1 ZINC001245988305 825618094 /nfs/dbraw/zinc/61/80/94/825618094.db2.gz VDWHLKXNEPSDNI-NEPJUHHUSA-N 2 2 255.362 -0.979 20 0 CBADLP C[C@@]1([NH3+])CC[N@H+](C[C@@H](O)CC2(O)CC[NH2+]CC2)C1 ZINC001246014538 825620853 /nfs/dbraw/zinc/62/08/53/825620853.db2.gz OSRWTYKZCNLDFT-NWDGAFQWSA-N 3 2 257.378 -0.725 20 0 CBADLP C[C@@]1([NH3+])CC[N@@H+](C[C@@H](O)CC2(O)CC[NH2+]CC2)C1 ZINC001246014538 825620856 /nfs/dbraw/zinc/62/08/56/825620856.db2.gz OSRWTYKZCNLDFT-NWDGAFQWSA-N 3 2 257.378 -0.725 20 0 CBADLP C[C@]1([NH3+])CC[N@H+](C[C@@H](O)CC2(O)CC[NH2+]CC2)C1 ZINC001246014540 825620909 /nfs/dbraw/zinc/62/09/09/825620909.db2.gz OSRWTYKZCNLDFT-RYUDHWBXSA-N 3 2 257.378 -0.725 20 0 CBADLP C[C@]1([NH3+])CC[N@@H+](C[C@@H](O)CC2(O)CC[NH2+]CC2)C1 ZINC001246014540 825620913 /nfs/dbraw/zinc/62/09/13/825620913.db2.gz OSRWTYKZCNLDFT-RYUDHWBXSA-N 3 2 257.378 -0.725 20 0 CBADLP [NH3+]C[C@@H]1CN(C[C@@H](O)C[NH+]2CCOCC2)CCC1(F)F ZINC001246018531 825622223 /nfs/dbraw/zinc/62/22/23/825622223.db2.gz DULGGMRDOLTKNT-NEPJUHHUSA-N 2 2 293.358 -0.405 20 0 CBADLP [NH3+][C@@H]1CC[N@H+](C[C@@H](O)COc2ccccc2)C[C@H]1O ZINC001246020657 825622389 /nfs/dbraw/zinc/62/23/89/825622389.db2.gz JIOPTKLXURQVAL-MRVWCRGKSA-N 2 2 266.341 -0.180 20 0 CBADLP [NH3+][C@@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2)C[C@H]1O ZINC001246020657 825622392 /nfs/dbraw/zinc/62/23/92/825622392.db2.gz JIOPTKLXURQVAL-MRVWCRGKSA-N 2 2 266.341 -0.180 20 0 CBADLP [NH3+][C@@H]1C[C@@H](F)CN(C[C@H](O)C[NH+]2CCOCC2)C1 ZINC001246021004 825624271 /nfs/dbraw/zinc/62/42/71/825624271.db2.gz KUIWDWOYICFNRI-IJLUTSLNSA-N 2 2 261.341 -0.949 20 0 CBADLP COC(=O)[C@H](O)C[N@@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246025029 825625289 /nfs/dbraw/zinc/62/52/89/825625289.db2.gz RWCQFLHIRXWLLD-JGVFFNPUSA-N 2 2 252.261 -0.564 20 0 CBADLP COC(=O)[C@H](O)C[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246025029 825625295 /nfs/dbraw/zinc/62/52/95/825625295.db2.gz RWCQFLHIRXWLLD-JGVFFNPUSA-N 2 2 252.261 -0.564 20 0 CBADLP CCOC(=O)C1CCC(O)(C[N@@H+]2C[C@@H]([NH3+])[C@H](O)C2)CC1 ZINC001246025574 825625414 /nfs/dbraw/zinc/62/54/14/825625414.db2.gz ZAPHKJWXTMEJSZ-CBKZZEEASA-N 2 2 286.372 -0.525 20 0 CBADLP CCOC(=O)C1CCC(O)(C[N@H+]2C[C@@H]([NH3+])[C@H](O)C2)CC1 ZINC001246025574 825625416 /nfs/dbraw/zinc/62/54/16/825625416.db2.gz ZAPHKJWXTMEJSZ-CBKZZEEASA-N 2 2 286.372 -0.525 20 0 CBADLP O[C@@H](CN1CC[C@@H]2[NH2+]CC[C@H]21)C[NH+]1CCOCC1 ZINC001246028886 825627264 /nfs/dbraw/zinc/62/72/64/825627264.db2.gz UOWWTCHXYIKNTG-FRRDWIJNSA-N 2 2 255.362 -0.884 20 0 CBADLP CCOC(=O)[C@]12C[N@H+](C[C@@]3(O)CC[NH2+]C3)C[C@H]1C[NH2+]CC2 ZINC001246043209 825629104 /nfs/dbraw/zinc/62/91/04/825629104.db2.gz AXDBBNZTLNODSE-BPLDGKMQSA-N 3 2 297.399 -0.815 20 0 CBADLP CCOC(=O)[C@]12C[N@@H+](C[C@@]3(O)CC[NH2+]C3)C[C@H]1C[NH2+]CC2 ZINC001246043209 825629110 /nfs/dbraw/zinc/62/91/10/825629110.db2.gz AXDBBNZTLNODSE-BPLDGKMQSA-N 3 2 297.399 -0.815 20 0 CBADLP O[C@@H](CN1CCOCC1)C[N@@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001246034513 825629238 /nfs/dbraw/zinc/62/92/38/825629238.db2.gz XGKAYKPLBXGTHK-GJZGRUSLSA-N 2 2 283.416 -0.103 20 0 CBADLP O[C@@H](CN1CCOCC1)C[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001246034513 825629241 /nfs/dbraw/zinc/62/92/41/825629241.db2.gz XGKAYKPLBXGTHK-GJZGRUSLSA-N 2 2 283.416 -0.103 20 0 CBADLP [NH3+]C[C@H]1CCC[N@@H+]1C[C@H](O)CC1(O)CC[NH2+]CC1 ZINC001246065489 825632476 /nfs/dbraw/zinc/63/24/76/825632476.db2.gz PGPBHEONDRWAGL-VXGBXAGGSA-N 3 2 257.378 -0.725 20 0 CBADLP [NH3+]C[C@H]1CCC[N@H+]1C[C@H](O)CC1(O)CC[NH2+]CC1 ZINC001246065489 825632478 /nfs/dbraw/zinc/63/24/78/825632478.db2.gz PGPBHEONDRWAGL-VXGBXAGGSA-N 3 2 257.378 -0.725 20 0 CBADLP CC[C@]1(C(=O)OC)C[C@@H](N[C@H]2CC[NH2+]C[C@@H]2F)C[NH2+]1 ZINC001246112761 825636828 /nfs/dbraw/zinc/63/68/28/825636828.db2.gz ROFLXSMPTHRFQX-MPPDQPJWSA-N 2 2 273.352 -0.040 20 0 CBADLP COC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H]2C[NH2+]CC[C@H]2C)CN1 ZINC001246117887 825637139 /nfs/dbraw/zinc/63/71/39/825637139.db2.gz MSVVHBXSMNYADC-WISYIIOYSA-N 2 2 255.362 -0.132 20 0 CBADLP CCOC(=O)C[C@@]1(N[C@H]2C[NH2+][C@H](C(=O)OC)C2)CC[NH2+]C1 ZINC001246122361 825637498 /nfs/dbraw/zinc/63/74/98/825637498.db2.gz ADSWANDSXPPVFS-SUNKGSAMSA-N 2 2 299.371 -0.835 20 0 CBADLP COC(=O)[C@@H]1C[C@H](NC[C@]2(F)CCCC[NH2+]C2)C[NH2+]1 ZINC001246116224 825637583 /nfs/dbraw/zinc/63/75/83/825637583.db2.gz WCFVILCLEJXUJQ-GVXVVHGQSA-N 2 2 273.352 -0.039 20 0 CBADLP COC(=O)[C@H]1C[C@H](NC[C@H]2CC[C@H](C)C[NH2+]2)C[NH2+]1 ZINC001246116002 825637617 /nfs/dbraw/zinc/63/76/17/825637617.db2.gz UFYMNQHYDZBFLZ-WHOHXGKFSA-N 2 2 255.362 -0.132 20 0 CBADLP C[C@H](CC(=O)N1CCOCC1)[NH2+][C@@H]1C[NH2+]CC12CC2 ZINC001246127988 825637962 /nfs/dbraw/zinc/63/79/62/825637962.db2.gz DIWPNYJRSXPHRM-VXGBXAGGSA-N 2 2 267.373 -0.035 20 0 CBADLP CCOC(=O)C[C@@]1([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CC[NH2+]C1 ZINC001246133177 825639560 /nfs/dbraw/zinc/63/95/60/825639560.db2.gz UHHZKRVKHPBVEM-OCCSQVGLSA-N 3 2 296.415 -0.645 20 0 CBADLP C([NH2+][C@@H]1CCOC2(C[NH2+]C2)C1)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001246150573 825642041 /nfs/dbraw/zinc/64/20/41/825642041.db2.gz WLPTWXGIVWKKNV-ZIAGYGMSSA-N 4 2 294.443 -0.029 20 0 CBADLP COC(=O)[C@H](CCCC[NH3+])N[C@@H]1C[NH2+][C@@H](C(=O)OC)C1 ZINC001246150793 825642281 /nfs/dbraw/zinc/64/22/81/825642281.db2.gz IKDMLDGJLMUHKQ-GARJFASQSA-N 2 2 287.360 -0.850 20 0 CBADLP COC(=O)[C@H](CCCC[NH3+])N[C@@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001246150790 825642651 /nfs/dbraw/zinc/64/26/51/825642651.db2.gz IKDMLDGJLMUHKQ-DCAQKATOSA-N 2 2 287.360 -0.850 20 0 CBADLP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@]2(F)CCC[NH2+]C2)CN1 ZINC001246170240 825644574 /nfs/dbraw/zinc/64/45/74/825644574.db2.gz FKAQABUBQZUOSC-GMXVVIOVSA-N 2 2 273.352 -0.039 20 0 CBADLP COC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@]2(F)CCC[NH2+]C2)CN1 ZINC001246170245 825644856 /nfs/dbraw/zinc/64/48/56/825644856.db2.gz FKAQABUBQZUOSC-MDZLAQPJSA-N 2 2 273.352 -0.039 20 0 CBADLP COC(=O)[C@@H]1C[C@H](N(CC[NH3+])c2ncccn2)C[NH2+]1 ZINC001246170156 825644877 /nfs/dbraw/zinc/64/48/77/825644877.db2.gz IFAMGAQUZJQAAY-UWVGGRQHSA-N 2 2 265.317 -0.855 20 0 CBADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246251875 825656568 /nfs/dbraw/zinc/65/65/68/825656568.db2.gz UIOJKBRVYUTPPF-MNOVXSKESA-N 3 2 265.361 -0.988 20 0 CBADLP COC(=O)[C@@H]1CC[C@@H]([NH2+]CCC[N@H+](C)CCC[NH3+])CN1 ZINC001246282595 825658877 /nfs/dbraw/zinc/65/88/77/825658877.db2.gz DZFNCAMMZXYTPT-OLZOCXBDSA-N 3 2 286.420 -0.460 20 0 CBADLP COC(=O)[C@@H]1CC[C@@H]([NH2+]CCC[N@@H+](C)CCC[NH3+])CN1 ZINC001246282595 825658880 /nfs/dbraw/zinc/65/88/80/825658880.db2.gz DZFNCAMMZXYTPT-OLZOCXBDSA-N 3 2 286.420 -0.460 20 0 CBADLP [NH3+]CCOCCOCCOCC[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246284193 825659067 /nfs/dbraw/zinc/65/90/67/825659067.db2.gz HDCMLXKPMRKDSA-CYBMUJFWSA-N 3 2 275.393 -0.664 20 0 CBADLP CCOC(=O)C1=C(N[C@H]2C[NH2+][C@H](C(=O)OC)C2)CC[NH2+]C1 ZINC001246286315 825660862 /nfs/dbraw/zinc/66/08/62/825660862.db2.gz WSGSKCZLGJHNRX-SKDRFNHKSA-N 2 2 297.355 -0.710 20 0 CBADLP COC(=O)[C@@H]1C[C@H](NC2(C(=O)OC)CC[NH+](C)CC2)C[NH2+]1 ZINC001246290811 825660963 /nfs/dbraw/zinc/66/09/63/825660963.db2.gz MYQQWZSESQYJQB-QWRGUYRKSA-N 2 2 299.371 -0.883 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](NC2(C(=O)OC)CC[NH+](C)CC2)C[NH2+]1 ZINC001246290808 825661086 /nfs/dbraw/zinc/66/10/86/825661086.db2.gz MYQQWZSESQYJQB-MNOVXSKESA-N 2 2 299.371 -0.883 20 0 CBADLP OC[C@@H]1C[NH2+]C[C@@H]1[NH2+][C@H]1CCN[C@@H](C(F)(F)F)C1 ZINC001246303039 825661861 /nfs/dbraw/zinc/66/18/61/825661861.db2.gz DRKIISFCVYVBLR-AATLWQCWSA-N 2 2 267.295 -0.161 20 0 CBADLP COC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2C[NH2+]C[C@H]2CO)C1 ZINC001246308980 825663471 /nfs/dbraw/zinc/66/34/71/825663471.db2.gz QGMWCJKEBZUAAH-NOOOWODRSA-N 2 2 256.346 -0.112 20 0 CBADLP COC(=O)[C@@H]1C[C@H](N[C@@H]2C[NH2+]CCC2(C)C)C[NH2+]1 ZINC001246324988 825664463 /nfs/dbraw/zinc/66/44/63/825664463.db2.gz IITRRGPWKDOYQG-GARJFASQSA-N 2 2 255.362 -0.132 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](NC[C@H]2CSCC[NH2+]2)C[NH2+]1 ZINC001246338564 825667070 /nfs/dbraw/zinc/66/70/70/825667070.db2.gz ZDFPNSDJCWHJDV-UTLUCORTSA-N 2 2 259.375 -0.816 20 0 CBADLP C[C@H]1CC[C@H]([NH2+]CCOCCN2C(=O)C=CC2=O)C[NH2+]1 ZINC001246356662 825669116 /nfs/dbraw/zinc/66/91/16/825669116.db2.gz ONRYMFLGTMJLQS-RYUDHWBXSA-N 2 2 281.356 -0.342 20 0 CBADLP CC[C@]1(C(=O)OC)C[C@H](N[C@@H]2CC23C[NH2+]C3)C[NH2+]1 ZINC001246443857 825672721 /nfs/dbraw/zinc/67/27/21/825672721.db2.gz FDDFKSCZILAWHM-OPQQBVKSSA-N 2 2 253.346 -0.378 20 0 CBADLP [NH3+]CCC[NH2+]CCC[NH2+]C1C[C@@H]2COC[C@H](C1)N2 ZINC001246451408 825673571 /nfs/dbraw/zinc/67/35/71/825673571.db2.gz GGLXIXVLVVJIDL-YHWZYXNKSA-N 3 2 256.394 -0.576 20 0 CBADLP COC(=O)[C@@H]1C[C@@H]([NH2+][C@H]2CC23C[NH2+]C3)C[C@@H]1C(=O)OC ZINC001246453577 825673582 /nfs/dbraw/zinc/67/35/82/825673582.db2.gz XTAQIHMMPGULFD-MMWGEVLESA-N 2 2 282.340 -0.321 20 0 CBADLP CC[C@@]1(C(=O)OC)C[C@@H]([NH2+]CCC[NH2+]CCC[NH3+])CN1 ZINC001246453417 825674113 /nfs/dbraw/zinc/67/41/13/825674113.db2.gz NULWZIAUAZFPEZ-OCCSQVGLSA-N 3 2 286.420 -0.412 20 0 CBADLP COC(=O)[C@@H]1C[C@H](n2cc(C[NH3+])c(C)nc2=N)C[NH2+]1 ZINC001246478271 825675815 /nfs/dbraw/zinc/67/58/15/825675815.db2.gz NHEPPMRYPVJQLD-UWVGGRQHSA-N 2 2 265.317 -0.794 20 0 CBADLP COC[C@@H]1C[C@@H]([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)C[NH2+]1 ZINC001246468309 825675855 /nfs/dbraw/zinc/67/58/55/825675855.db2.gz WXKNIZZBBLFVGO-UTUOFQBUSA-N 3 2 254.378 -0.953 20 0 CBADLP CCOC(=O)c1cn([C@H]2C[NH2+][C@H](C(=O)OC)C2)nc1C[NH3+] ZINC001246533874 825681139 /nfs/dbraw/zinc/68/11/39/825681139.db2.gz XBDJDZDIEPNTHD-SCZZXKLOSA-N 2 2 296.327 -0.406 20 0 CBADLP CC[N@@H+]1CCCN([C@@H]2C[NH2+][C@H](C(=O)OC)C2)CC1 ZINC001246526688 825681597 /nfs/dbraw/zinc/68/15/97/825681597.db2.gz QTUIKTGGBODESN-RYUDHWBXSA-N 2 2 255.362 -0.083 20 0 CBADLP CC[N@H+]1CCCN([C@@H]2C[NH2+][C@H](C(=O)OC)C2)CC1 ZINC001246526688 825681600 /nfs/dbraw/zinc/68/16/00/825681600.db2.gz QTUIKTGGBODESN-RYUDHWBXSA-N 2 2 255.362 -0.083 20 0 CBADLP COC(=O)[C@@H]1CC[C@H]([N@@H+]2CCO[C@@H](CC[NH3+])C2)CN1 ZINC001246534123 825681930 /nfs/dbraw/zinc/68/19/30/825681930.db2.gz GRXVLIYHOZQJDZ-SRVKXCTJSA-N 2 2 271.361 -0.670 20 0 CBADLP COC(=O)[C@@H]1CC[C@H]([N@H+]2CCO[C@@H](CC[NH3+])C2)CN1 ZINC001246534123 825681933 /nfs/dbraw/zinc/68/19/33/825681933.db2.gz GRXVLIYHOZQJDZ-SRVKXCTJSA-N 2 2 271.361 -0.670 20 0 CBADLP CC[C@]1(C(=O)OC)C[C@@H](N2CCC[C@](O)(C[NH3+])CC2)C[NH2+]1 ZINC001246556443 825684179 /nfs/dbraw/zinc/68/41/79/825684179.db2.gz ZYWUUDSYMPUJAO-BPLDGKMQSA-N 2 2 299.415 -0.154 20 0 CBADLP CCOC(=O)[C@@H]1C[C@@H]([N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)CCN1 ZINC001246564551 825686563 /nfs/dbraw/zinc/68/65/63/825686563.db2.gz XUQUJFLEWJWVDZ-KXNHARMFSA-N 2 2 255.362 -0.051 20 0 CBADLP CCOC(=O)[C@@H]1C[C@@H]([N@H+]2C[C@@H](C)[C@H]([NH3+])C2)CCN1 ZINC001246564551 825686567 /nfs/dbraw/zinc/68/65/67/825686567.db2.gz XUQUJFLEWJWVDZ-KXNHARMFSA-N 2 2 255.362 -0.051 20 0 CBADLP CS(=O)(=O)C1CCC([N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)CC1 ZINC001246577595 825689259 /nfs/dbraw/zinc/68/92/59/825689259.db2.gz BHNGEGSBTFZXEZ-WNYYMSAVSA-N 2 2 276.402 -0.406 20 0 CBADLP CS(=O)(=O)C1CCC([N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)CC1 ZINC001246577595 825689262 /nfs/dbraw/zinc/68/92/62/825689262.db2.gz BHNGEGSBTFZXEZ-WNYYMSAVSA-N 2 2 276.402 -0.406 20 0 CBADLP O=S1(=O)CC[C@H](N2CC[NH2+]C3(CC[NH2+]CC3)C2)C1 ZINC001246600124 825693992 /nfs/dbraw/zinc/69/39/92/825693992.db2.gz FLXTWOUAFRRNPI-NSHDSACASA-N 2 2 273.402 -0.799 20 0 CBADLP C1[NH2+]CC12C[C@H]([N@@H+]1CC[C@@H]3[NH2+]CCO[C@H]3C1)CCN2 ZINC001246635471 825699102 /nfs/dbraw/zinc/69/91/02/825699102.db2.gz VAEXEDVVZCHINR-AGIUHOORSA-N 3 2 266.389 -0.857 20 0 CBADLP C1[NH2+]CC12C[C@H]([N@H+]1CC[C@@H]3[NH2+]CCO[C@H]3C1)CCN2 ZINC001246635471 825699103 /nfs/dbraw/zinc/69/91/03/825699103.db2.gz VAEXEDVVZCHINR-AGIUHOORSA-N 3 2 266.389 -0.857 20 0 CBADLP CCOC(=O)N1CC[C@@H]([N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)C1 ZINC001246638755 825700845 /nfs/dbraw/zinc/70/08/45/825700845.db2.gz CXMXBSSIFDVMKM-TZMCWYRMSA-N 2 2 282.388 -0.146 20 0 CBADLP CCOC(=O)N1CC[C@@H]([N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)C1 ZINC001246638755 825700848 /nfs/dbraw/zinc/70/08/48/825700848.db2.gz CXMXBSSIFDVMKM-TZMCWYRMSA-N 2 2 282.388 -0.146 20 0 CBADLP C1[NH2+]CC12C[C@H]([N@@H+]1CCC[C@@]3(C[NH2+]CCO3)C1)CCN2 ZINC001246645115 825703024 /nfs/dbraw/zinc/70/30/24/825703024.db2.gz BCJBQUJMCVRFJS-UKRRQHHQSA-N 3 2 280.416 -0.465 20 0 CBADLP C1[NH2+]CC12C[C@H]([N@H+]1CCC[C@@]3(C[NH2+]CCO3)C1)CCN2 ZINC001246645115 825703027 /nfs/dbraw/zinc/70/30/27/825703027.db2.gz BCJBQUJMCVRFJS-UKRRQHHQSA-N 3 2 280.416 -0.465 20 0 CBADLP C1[NH2+]CC12C[C@H]([N@@H+]1CC[C@@H]3[NH2+]CC[C@@H]3C1)CCN2 ZINC001246661500 825703968 /nfs/dbraw/zinc/70/39/68/825703968.db2.gz RHEOVAXQFVXSQG-UPJWGTAASA-N 3 2 250.390 -0.236 20 0 CBADLP C1[NH2+]CC12C[C@H]([N@H+]1CC[C@@H]3[NH2+]CC[C@@H]3C1)CCN2 ZINC001246661500 825703969 /nfs/dbraw/zinc/70/39/69/825703969.db2.gz RHEOVAXQFVXSQG-UPJWGTAASA-N 3 2 250.390 -0.236 20 0 CBADLP C1[NH2+]CC12C[C@@H]([N@@H+]1CC[C@H]3[NH2+]CC[C@@H]3C1)CCN2 ZINC001246661497 825704018 /nfs/dbraw/zinc/70/40/18/825704018.db2.gz RHEOVAXQFVXSQG-FRRDWIJNSA-N 3 2 250.390 -0.236 20 0 CBADLP C1[NH2+]CC12C[C@@H]([N@H+]1CC[C@H]3[NH2+]CC[C@@H]3C1)CCN2 ZINC001246661497 825704020 /nfs/dbraw/zinc/70/40/20/825704020.db2.gz RHEOVAXQFVXSQG-FRRDWIJNSA-N 3 2 250.390 -0.236 20 0 CBADLP CNC(=O)[C@@]12CCO[C@@H]1CC[N@@H+](C1CC[NH2+]CC1)C2 ZINC001246709385 825707285 /nfs/dbraw/zinc/70/72/85/825707285.db2.gz IVHIAIQZTZLMQJ-TZMCWYRMSA-N 2 2 267.373 -0.035 20 0 CBADLP CNC(=O)[C@@]12CCO[C@@H]1CC[N@H+](C1CC[NH2+]CC1)C2 ZINC001246709385 825707291 /nfs/dbraw/zinc/70/72/91/825707291.db2.gz IVHIAIQZTZLMQJ-TZMCWYRMSA-N 2 2 267.373 -0.035 20 0 CBADLP COCc1nn([C@@H]2C[NH2+][C@H](C(=O)OC)C2)c2c1C[NH2+]C2 ZINC001246711497 825708351 /nfs/dbraw/zinc/70/83/51/825708351.db2.gz BVAGGXFGTDZNFI-WPRPVWTQSA-N 2 2 280.328 -0.291 20 0 CBADLP COC(=O)[C@@H]1C[C@H](N2CC[NH+](C[C@@H]3CCCO3)CC2)C[NH2+]1 ZINC001246774847 825709781 /nfs/dbraw/zinc/70/97/81/825709781.db2.gz GVJWRZUHDSRKSV-IHRRRGAJSA-N 2 2 297.399 -0.314 20 0 CBADLP COC(=O)[C@@H]1C[C@H](N2CC[NH+](C3CCOCC3)CC2)C[NH2+]1 ZINC001246793679 825712416 /nfs/dbraw/zinc/71/24/16/825712416.db2.gz VNGSJFUVZFSRDN-KBPBESRZSA-N 2 2 297.399 -0.314 20 0 CBADLP COC(=O)CN1CC[NH+]([C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC001246802164 825713501 /nfs/dbraw/zinc/71/35/01/825713501.db2.gz IRXOGLLGWHVLKC-RYUDHWBXSA-N 2 2 255.362 -0.083 20 0 CBADLP COCCC[NH+]1CCN([C@H]2C[NH2+][C@H](C(=O)OC)C2)CC1 ZINC001246821656 825716583 /nfs/dbraw/zinc/71/65/83/825716583.db2.gz ZNQSPVWBMMFXDY-OLZOCXBDSA-N 2 2 285.388 -0.456 20 0 CBADLP COCCC[N@H+]([C@@H]1CN[C@H](C(=O)OC)C1)C1CC[NH2+]CC1 ZINC001246837494 825718912 /nfs/dbraw/zinc/71/89/12/825718912.db2.gz UPSVRKJFGSZNNG-KBPBESRZSA-N 2 2 299.415 -0.020 20 0 CBADLP COCCC[N@@H+]([C@@H]1CN[C@H](C(=O)OC)C1)C1CC[NH2+]CC1 ZINC001246837494 825718916 /nfs/dbraw/zinc/71/89/16/825718916.db2.gz UPSVRKJFGSZNNG-KBPBESRZSA-N 2 2 299.415 -0.020 20 0 CBADLP O=C1COC[C@@H]2C[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)CCN12 ZINC001246866735 825725188 /nfs/dbraw/zinc/72/51/88/825725188.db2.gz GROYBQFMFTZBNX-HNGCFSAESA-N 2 2 265.357 -0.188 20 0 CBADLP O=C1COC[C@@H]2C[N@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)CCN12 ZINC001246866735 825725189 /nfs/dbraw/zinc/72/51/89/825725189.db2.gz GROYBQFMFTZBNX-HNGCFSAESA-N 2 2 265.357 -0.188 20 0 CBADLP CS(=O)(=O)N1CCC([N@@H+]2C[C@@H]3C[C@]3([NH3+])C2)CC1 ZINC001246876443 825728003 /nfs/dbraw/zinc/72/80/03/825728003.db2.gz ZKXGLFPTMQTESA-ONGXEEELSA-N 2 2 259.375 -0.557 20 0 CBADLP CS(=O)(=O)N1CCC([N@H+]2C[C@@H]3C[C@]3([NH3+])C2)CC1 ZINC001246876443 825728006 /nfs/dbraw/zinc/72/80/06/825728006.db2.gz ZKXGLFPTMQTESA-ONGXEEELSA-N 2 2 259.375 -0.557 20 0 CBADLP COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1[C@H]1CC[NH2+][C@H](C)C1 ZINC001246910850 825729801 /nfs/dbraw/zinc/72/98/01/825729801.db2.gz MJTDSYXVWTYTCL-WOPDTQHZSA-N 2 2 283.372 -0.120 20 0 CBADLP COC(=O)CNC(=O)[C@@H]1CCC[N@H+]1[C@H]1CC[NH2+][C@H](C)C1 ZINC001246910850 825729812 /nfs/dbraw/zinc/72/98/12/825729812.db2.gz MJTDSYXVWTYTCL-WOPDTQHZSA-N 2 2 283.372 -0.120 20 0 CBADLP COC(=O)[C@@H]1C[C@H](N2C[C@H]3[C@H](C2)CCC[N@@H+]3C)C[NH2+]1 ZINC001246914968 825731030 /nfs/dbraw/zinc/73/10/30/825731030.db2.gz JRVSEBBODRDGBX-CYDGBPFRSA-N 2 2 267.373 -0.084 20 0 CBADLP COC(=O)[C@@H]1C[C@H](N2C[C@H]3[C@H](C2)CCC[N@H+]3C)C[NH2+]1 ZINC001246914968 825731036 /nfs/dbraw/zinc/73/10/36/825731036.db2.gz JRVSEBBODRDGBX-CYDGBPFRSA-N 2 2 267.373 -0.084 20 0 CBADLP COC(=O)[C@@H]1C[C@H](N2C[C@H]3CCC[N@H+](C)[C@H]3C2)C[NH2+]1 ZINC001246914971 825731467 /nfs/dbraw/zinc/73/14/67/825731467.db2.gz JRVSEBBODRDGBX-VOAKCMCISA-N 2 2 267.373 -0.084 20 0 CBADLP COC(=O)[C@@H]1C[C@H](N2C[C@H]3CCC[N@@H+](C)[C@H]3C2)C[NH2+]1 ZINC001246914971 825731474 /nfs/dbraw/zinc/73/14/74/825731474.db2.gz JRVSEBBODRDGBX-VOAKCMCISA-N 2 2 267.373 -0.084 20 0 CBADLP CCOC(=O)C[N@H+](CCC[NH3+])[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246925500 825732706 /nfs/dbraw/zinc/73/27/06/825732706.db2.gz XVZGCUCCFJNLTA-GFCCVEGCSA-N 3 2 284.404 -0.706 20 0 CBADLP CCOC(=O)C[N@@H+](CCC[NH3+])[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246925500 825732711 /nfs/dbraw/zinc/73/27/11/825732711.db2.gz XVZGCUCCFJNLTA-GFCCVEGCSA-N 3 2 284.404 -0.706 20 0 CBADLP COC(=O)[C@@H]1C[N@@H+]([C@H]2CCC3(C[NH2+]C3)C2)C[C@H]1[NH3+] ZINC001246929430 825733035 /nfs/dbraw/zinc/73/30/35/825733035.db2.gz CYDLIQQXFJBKEP-HBNTYKKESA-N 3 2 253.346 -0.439 20 0 CBADLP COC(=O)[C@@H]1C[N@H+]([C@H]2CCC3(C[NH2+]C3)C2)C[C@H]1[NH3+] ZINC001246929430 825733040 /nfs/dbraw/zinc/73/30/40/825733040.db2.gz CYDLIQQXFJBKEP-HBNTYKKESA-N 3 2 253.346 -0.439 20 0 CBADLP CCOC(=O)C[N@H+](CCC[NH3+])[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246925504 825733111 /nfs/dbraw/zinc/73/31/11/825733111.db2.gz XVZGCUCCFJNLTA-LBPRGKRZSA-N 3 2 284.404 -0.706 20 0 CBADLP CCOC(=O)C[N@@H+](CCC[NH3+])[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246925504 825733114 /nfs/dbraw/zinc/73/31/14/825733114.db2.gz XVZGCUCCFJNLTA-LBPRGKRZSA-N 3 2 284.404 -0.706 20 0 CBADLP COC(=O)[C@@H]1CC[C@@H]([N@@H+]2CC[C@H]([NH3+])[C@@H](C(=O)OC)C2)CN1 ZINC001246940189 825735743 /nfs/dbraw/zinc/73/57/43/825735743.db2.gz DKMGTZLYZGCKNY-RHYQMDGZSA-N 2 2 299.371 -0.898 20 0 CBADLP COC(=O)[C@@H]1CC[C@@H]([N@H+]2CC[C@H]([NH3+])[C@@H](C(=O)OC)C2)CN1 ZINC001246940189 825735748 /nfs/dbraw/zinc/73/57/48/825735748.db2.gz DKMGTZLYZGCKNY-RHYQMDGZSA-N 2 2 299.371 -0.898 20 0 CBADLP COc1cc(OC)c(-c2noc(C[C@@H]([NH3+])C[NH3+])n2)cn1 ZINC001249128641 825748375 /nfs/dbraw/zinc/74/83/75/825748375.db2.gz MIZMWECVAPFPGT-SSDOTTSWSA-N 2 2 279.300 -0.023 20 0 CBADLP COC(=O)[C@@H]1C[N@H+](C)CCN1C(=S)NCC[NH+](C)C ZINC001249837054 825749514 /nfs/dbraw/zinc/74/95/14/825749514.db2.gz PLDSIFFWOPGJGU-JTQLQIEISA-N 2 2 288.417 -0.789 20 0 CBADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=S)NCC[NH+](C)C ZINC001249837054 825749521 /nfs/dbraw/zinc/74/95/21/825749521.db2.gz PLDSIFFWOPGJGU-JTQLQIEISA-N 2 2 288.417 -0.789 20 0 CBADLP C[N@H+]1C[C@H]2[C@H](C1)CCCN2C[C@@H](O)C[NH+]1CCOCC1 ZINC001251019330 825763139 /nfs/dbraw/zinc/76/31/39/825763139.db2.gz WXCAUFGJZMBKCC-KKUMJFAQSA-N 2 2 283.416 -0.295 20 0 CBADLP C[N@@H+]1C[C@H]2[C@H](C1)CCCN2C[C@@H](O)C[NH+]1CCOCC1 ZINC001251019330 825763143 /nfs/dbraw/zinc/76/31/43/825763143.db2.gz WXCAUFGJZMBKCC-KKUMJFAQSA-N 2 2 283.416 -0.295 20 0 CBADLP C[N@H+](C1CN(C[C@@H](O)C[NH+]2CCOCC2)C1)[C@@H]1CCOC1 ZINC001251018432 825763477 /nfs/dbraw/zinc/76/34/77/825763477.db2.gz ILVHNLACHKDFQQ-HIFRSBDPSA-N 2 2 299.415 -0.916 20 0 CBADLP C[N@@H+](C1CN(C[C@@H](O)C[NH+]2CCOCC2)C1)[C@@H]1CCOC1 ZINC001251018432 825763482 /nfs/dbraw/zinc/76/34/82/825763482.db2.gz ILVHNLACHKDFQQ-HIFRSBDPSA-N 2 2 299.415 -0.916 20 0 CBADLP Cc1[nH+]c[nH]c1CC[NH2+]C[C@@H](O)CN1CCOCC1 ZINC001251034665 825766372 /nfs/dbraw/zinc/76/63/72/825766372.db2.gz AHFRNJNNIQMJGB-GFCCVEGCSA-N 2 2 268.361 -0.457 20 0 CBADLP C[N@H+](C1CC1)[C@@H]1CCN(C[C@H](O)C[NH+]2CCOCC2)C1 ZINC001251024925 825766446 /nfs/dbraw/zinc/76/64/46/825766446.db2.gz SHAYCABMCWYMAC-HUUCEWRRSA-N 2 2 283.416 -0.152 20 0 CBADLP C[N@@H+](C1CC1)[C@@H]1CCN(C[C@H](O)C[NH+]2CCOCC2)C1 ZINC001251024925 825766449 /nfs/dbraw/zinc/76/64/49/825766449.db2.gz SHAYCABMCWYMAC-HUUCEWRRSA-N 2 2 283.416 -0.152 20 0 CBADLP Cc1nc(N2CC[NH+](CCO)CC2)cc(NC[C@H](C)O)[nH+]1 ZINC001251954162 825809569 /nfs/dbraw/zinc/80/95/69/825809569.db2.gz AUMDDQOOWUTTEI-NSHDSACASA-N 2 2 295.387 -0.308 20 0 CBADLP CNC(=O)C[N@@H+]1CCCC12CC[NH+](C[C@H](O)CO)CC2 ZINC001252058193 825819680 /nfs/dbraw/zinc/81/96/80/825819680.db2.gz XUPRTUMXLYAOFU-LBPRGKRZSA-N 2 2 285.388 -0.984 20 0 CBADLP CNC(=O)C[N@H+]1CCCC12CC[NH+](C[C@H](O)CO)CC2 ZINC001252058193 825819684 /nfs/dbraw/zinc/81/96/84/825819684.db2.gz XUPRTUMXLYAOFU-LBPRGKRZSA-N 2 2 285.388 -0.984 20 0 CBADLP COCC[N@H+](C[C@H](O)C(=O)OC)C1CC[NH+](C)CC1 ZINC001252421693 825849805 /nfs/dbraw/zinc/84/98/05/825849805.db2.gz KLXRWZHRFISJIC-LBPRGKRZSA-N 2 2 274.361 -0.437 20 0 CBADLP COCC[N@@H+](C[C@H](O)C(=O)OC)C1CC[NH+](C)CC1 ZINC001252421693 825849808 /nfs/dbraw/zinc/84/98/08/825849808.db2.gz KLXRWZHRFISJIC-LBPRGKRZSA-N 2 2 274.361 -0.437 20 0 CBADLP C[NH+]1CCN(C(=[NH2+])NC[C@@H](O)C(=O)OC(C)(C)C)CC1 ZINC001253703603 825926635 /nfs/dbraw/zinc/92/66/35/825926635.db2.gz KIIJZDNBEWICOC-SNVBAGLBSA-N 2 2 286.376 -0.539 20 0 CBADLP CC[NH+](CC)C[C@@H](O)C[NH+]1CCC2(CC1)COCC(=O)N2 ZINC001253182906 825902236 /nfs/dbraw/zinc/90/22/36/825902236.db2.gz VAAXBROHRHCQLF-CYBMUJFWSA-N 2 2 299.415 -0.330 20 0 CBADLP CC[NH+](CC)C[C@@H](O)CN1CC([N@H+](C)C2COC2)C1 ZINC001253188177 825902717 /nfs/dbraw/zinc/90/27/17/825902717.db2.gz RKQRSULEHAQXJF-CQSZACIVSA-N 2 2 271.405 -0.296 20 0 CBADLP CC[NH+](CC)C[C@@H](O)CN1CC([N@@H+](C)C2COC2)C1 ZINC001253188177 825902718 /nfs/dbraw/zinc/90/27/18/825902718.db2.gz RKQRSULEHAQXJF-CQSZACIVSA-N 2 2 271.405 -0.296 20 0 CBADLP CC[NH+](CC)C[C@H](O)CN1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC001253181913 825903081 /nfs/dbraw/zinc/90/30/81/825903081.db2.gz ISSDEEFRXKLKMR-MJBXVCDLSA-N 2 2 271.405 -0.296 20 0 CBADLP CC[NH+](CC)C[C@H](O)CN1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC001253181913 825903083 /nfs/dbraw/zinc/90/30/83/825903083.db2.gz ISSDEEFRXKLKMR-MJBXVCDLSA-N 2 2 271.405 -0.296 20 0 CBADLP CC[NH+](CC)C[C@H](O)C[NH+]1CCC2(CNC(=O)N2)CC1 ZINC001253193254 825904017 /nfs/dbraw/zinc/90/40/17/825904017.db2.gz FKAMMPBBHKGOHZ-LBPRGKRZSA-N 2 2 284.404 -0.164 20 0 CBADLP CC[NH+](CC)C[C@@H](O)C[NH2+]C1(C(N)=O)CCOCC1 ZINC001253207819 825905481 /nfs/dbraw/zinc/90/54/81/825905481.db2.gz KONXSCFIQPTHTC-NSHDSACASA-N 2 2 273.377 -0.687 20 0 CBADLP CC[NH+](CC)C[C@@H](O)C[NH2+][C@]1(C)CCC(=O)NC1=O ZINC001253209628 825905905 /nfs/dbraw/zinc/90/59/05/825905905.db2.gz GRJRJROITKIRKL-GXFFZTMASA-N 2 2 271.361 -0.526 20 0 CBADLP C[NH+](C)Cc1cn(C[C@@H]2CC3(C[NH2+]C3)CO2)nn1 ZINC001254068040 825939870 /nfs/dbraw/zinc/93/98/70/825939870.db2.gz XAEKSYUOJOXTAD-NSHDSACASA-N 2 2 251.334 -0.282 20 0 CBADLP CCOC(=O)CN1CCC([N@H+](CC[NH3+])CCO)CC1 ZINC001254393352 825959052 /nfs/dbraw/zinc/95/90/52/825959052.db2.gz NXILYRAYWJCKEF-UHFFFAOYSA-N 2 2 273.377 -0.733 20 0 CBADLP CCOC(=O)CN1CCC([N@@H+](CC[NH3+])CCO)CC1 ZINC001254393352 825959055 /nfs/dbraw/zinc/95/90/55/825959055.db2.gz NXILYRAYWJCKEF-UHFFFAOYSA-N 2 2 273.377 -0.733 20 0 CBADLP CCOC(=O)C[NH+]1CCC(n2nnnc2C[NH3+])CC1 ZINC001254395582 825960840 /nfs/dbraw/zinc/96/08/40/825960840.db2.gz QZUIDWYWLZHTPC-UHFFFAOYSA-N 2 2 268.321 -0.668 20 0 CBADLP C[N@@H+]1CCC[C@H]([NH2+]C2CN(S(C)(=O)=O)C2)CC1 ZINC001254502367 825963479 /nfs/dbraw/zinc/96/34/79/825963479.db2.gz DGDLDDPTOBMOSP-JTQLQIEISA-N 2 2 261.391 -0.296 20 0 CBADLP C[N@H+]1CCC[C@H]([NH2+]C2CN(S(C)(=O)=O)C2)CC1 ZINC001254502367 825963484 /nfs/dbraw/zinc/96/34/84/825963484.db2.gz DGDLDDPTOBMOSP-JTQLQIEISA-N 2 2 261.391 -0.296 20 0 CBADLP OCC[NH+](CCO)CCC[NH2+][C@H]1CC2CCN(CC2)C1 ZINC001254836535 825969859 /nfs/dbraw/zinc/96/98/59/825969859.db2.gz MNLUZOLQZHXFJF-HNNXBMFYSA-N 2 2 285.432 -0.263 20 0 CBADLP COC[C@H](C)[NH+]1CCN(CC[NH+]2CCOCC2)CC1 ZINC001255575732 825988942 /nfs/dbraw/zinc/98/89/42/825988942.db2.gz GSPKAAYFERRMBQ-AWEZNQCLSA-N 2 2 271.405 -0.029 20 0 CBADLP OCC[NH+](CCO)CCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001256066466 826001407 /nfs/dbraw/zinc/00/14/07/826001407.db2.gz DYZLSVSCNNGPSM-UHFFFAOYSA-N 3 2 285.432 -0.121 20 0 CBADLP CC(C)[C@H](NC(=O)[C@H](C)[NH2+]C1CC[NH+](C)CC1)C(N)=O ZINC001256201883 826004552 /nfs/dbraw/zinc/00/45/52/826004552.db2.gz RWVNJRIDSICJTO-JQWIXIFHSA-N 2 2 284.404 -0.315 20 0 CBADLP C[C@@H](CC(=O)N1CCOCC1)[N@@H+]1CCO[C@H](C[NH3+])C1 ZINC001256321373 826010480 /nfs/dbraw/zinc/01/04/80/826010480.db2.gz JTTFANUEYXFCGV-NWDGAFQWSA-N 2 2 271.361 -0.717 20 0 CBADLP C[C@@H](CC(=O)N1CCOCC1)[N@H+]1CCO[C@H](C[NH3+])C1 ZINC001256321373 826010487 /nfs/dbraw/zinc/01/04/87/826010487.db2.gz JTTFANUEYXFCGV-NWDGAFQWSA-N 2 2 271.361 -0.717 20 0 CBADLP C[C@H](NC(=O)[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(N)=O ZINC001256621404 826028467 /nfs/dbraw/zinc/02/84/67/826028467.db2.gz RRDICWGXWBWODO-QUDJTUOCSA-N 2 2 282.388 -0.420 20 0 CBADLP C[C@H](NC(=O)[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(N)=O ZINC001256621404 826028471 /nfs/dbraw/zinc/02/84/71/826028471.db2.gz RRDICWGXWBWODO-QUDJTUOCSA-N 2 2 282.388 -0.420 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)CC1 ZINC001261300311 826503477 /nfs/dbraw/zinc/50/34/77/826503477.db2.gz RKPYEVQSTFUMBV-ZDUSSCGKSA-N 2 2 296.415 -0.439 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001261551426 826539239 /nfs/dbraw/zinc/53/92/39/826539239.db2.gz JXCSBFLECJUDBJ-NWDGAFQWSA-N 2 2 264.329 -0.380 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001261551426 826539246 /nfs/dbraw/zinc/53/92/46/826539246.db2.gz JXCSBFLECJUDBJ-NWDGAFQWSA-N 2 2 264.329 -0.380 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001261551426 826539249 /nfs/dbraw/zinc/53/92/49/826539249.db2.gz JXCSBFLECJUDBJ-NWDGAFQWSA-N 2 2 264.329 -0.380 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001261551426 826539255 /nfs/dbraw/zinc/53/92/55/826539255.db2.gz JXCSBFLECJUDBJ-NWDGAFQWSA-N 2 2 264.329 -0.380 20 0 CBADLP C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC001261821271 826588505 /nfs/dbraw/zinc/58/85/05/826588505.db2.gz VULRTJAOWKPNBC-UWVGGRQHSA-N 2 2 279.344 -0.880 20 0 CBADLP Cn1ncnc1C[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC001262008229 826618408 /nfs/dbraw/zinc/61/84/08/826618408.db2.gz FNRAGKMACYGDMS-UHFFFAOYSA-N 2 2 266.393 -0.069 20 0 CBADLP CC(C)(O)C[NH+]1CCC([NH2+]C2(C(N)=O)CC2)CC1 ZINC001262011121 826619238 /nfs/dbraw/zinc/61/92/38/826619238.db2.gz ZAVHOHIEXNNQJN-UHFFFAOYSA-N 2 2 255.362 -0.171 20 0 CBADLP Cn1nnnc1CC[N@H+](C)C1(C[NH3+])CCOCC1 ZINC001262486374 826693314 /nfs/dbraw/zinc/69/33/14/826693314.db2.gz RXALKFSMDLFVMW-UHFFFAOYSA-N 2 2 254.338 -0.808 20 0 CBADLP Cn1nnnc1CC[N@@H+](C)C1(C[NH3+])CCOCC1 ZINC001262486374 826693316 /nfs/dbraw/zinc/69/33/16/826693316.db2.gz RXALKFSMDLFVMW-UHFFFAOYSA-N 2 2 254.338 -0.808 20 0 CBADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001262588569 826714911 /nfs/dbraw/zinc/71/49/11/826714911.db2.gz IYFRTYOKXAHEDV-CMPLNLGQSA-N 3 2 269.393 -0.541 20 0 CBADLP C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001263170056 826748446 /nfs/dbraw/zinc/74/84/46/826748446.db2.gz GGZFTQMQHAKKFH-GHMZBOCLSA-N 2 2 266.345 -0.516 20 0 CBADLP C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001263170057 826748542 /nfs/dbraw/zinc/74/85/42/826748542.db2.gz GGZFTQMQHAKKFH-MNOVXSKESA-N 2 2 266.345 -0.516 20 0 CBADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1CC[NH2+]C[C@@H]1CO ZINC001263180045 826750608 /nfs/dbraw/zinc/75/06/08/826750608.db2.gz CFVDCMQVTAJXMP-CMPLNLGQSA-N 2 2 264.329 -0.762 20 0 CBADLP CCC[N@@H+](C)CC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001263191840 826753329 /nfs/dbraw/zinc/75/33/29/826753329.db2.gz BSVGGYBOAAMCHG-UHFFFAOYSA-N 3 2 256.394 -0.133 20 0 CBADLP O=C(Cn1cc[nH+]c1)NCCC[NH+]1CCN(CCF)CC1 ZINC001265254480 826862479 /nfs/dbraw/zinc/86/24/79/826862479.db2.gz NVIAEJFYIIVWBY-UHFFFAOYSA-N 2 2 297.378 -0.024 20 0 CBADLP C[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001265489705 826900600 /nfs/dbraw/zinc/90/06/00/826900600.db2.gz PPKLLPAXTTXSEI-SRVKXCTJSA-N 2 2 266.345 -0.109 20 0 CBADLP CC[C@@H]([NH2+][C@@H](C)CNC(=O)Cn1cc[nH+]c1)C(N)=O ZINC001265873355 826931500 /nfs/dbraw/zinc/93/15/00/826931500.db2.gz RZRCQMUUJNPGFT-VHSXEESVSA-N 2 2 267.333 -0.759 20 0 CBADLP C[N@H+](CCO)CCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001265877305 826933942 /nfs/dbraw/zinc/93/39/42/826933942.db2.gz FGTULBRBXBIICR-LBPRGKRZSA-N 2 2 280.372 -0.124 20 0 CBADLP C[N@@H+](CCO)CCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001265877305 826933951 /nfs/dbraw/zinc/93/39/51/826933951.db2.gz FGTULBRBXBIICR-LBPRGKRZSA-N 2 2 280.372 -0.124 20 0 CBADLP C[C@H](C(N)=O)[N@H+](C)CCCNC(=O)CCc1[nH+]ccn1C ZINC001265893907 826934629 /nfs/dbraw/zinc/93/46/29/826934629.db2.gz QJKKLJODJHYJEZ-LLVKDONJSA-N 2 2 295.387 -0.335 20 0 CBADLP C[C@H](C(N)=O)[N@@H+](C)CCCNC(=O)CCc1[nH+]ccn1C ZINC001265893907 826934632 /nfs/dbraw/zinc/93/46/32/826934632.db2.gz QJKKLJODJHYJEZ-LLVKDONJSA-N 2 2 295.387 -0.335 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)N1CC[C@@H](C[NH2+]CCO)C1 ZINC001265982379 826944929 /nfs/dbraw/zinc/94/49/29/826944929.db2.gz FLZHDJPMSMWZPM-NSHDSACASA-N 2 2 266.345 -0.227 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)N1CC[C@@H](C[NH2+]CCO)C1 ZINC001265982379 826944933 /nfs/dbraw/zinc/94/49/33/826944933.db2.gz FLZHDJPMSMWZPM-NSHDSACASA-N 2 2 266.345 -0.227 20 0 CBADLP Cn1cc(C[N@H+](C)CCCNC(=O)C[NH+]2CCCC2)nn1 ZINC001265974018 826945186 /nfs/dbraw/zinc/94/51/86/826945186.db2.gz DMIMHIHICZDCCX-UHFFFAOYSA-N 2 2 294.403 -0.151 20 0 CBADLP Cn1cc(C[N@@H+](C)CCCNC(=O)C[NH+]2CCCC2)nn1 ZINC001265974018 826945192 /nfs/dbraw/zinc/94/51/92/826945192.db2.gz DMIMHIHICZDCCX-UHFFFAOYSA-N 2 2 294.403 -0.151 20 0 CBADLP C[C@@H](C(N)=O)[N@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001266165970 826957890 /nfs/dbraw/zinc/95/78/90/826957890.db2.gz MEUJMMICODBJBC-JTQLQIEISA-N 2 2 293.371 -0.203 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001266165970 826957895 /nfs/dbraw/zinc/95/78/95/826957895.db2.gz MEUJMMICODBJBC-JTQLQIEISA-N 2 2 293.371 -0.203 20 0 CBADLP NC(=O)C[N@@H+]1CCC[C@H]1CCCNC(=O)Cn1cc[nH+]c1 ZINC001266247308 826963319 /nfs/dbraw/zinc/96/33/19/826963319.db2.gz IEJAYJCAMXWUFH-GFCCVEGCSA-N 2 2 293.371 -0.271 20 0 CBADLP NC(=O)C[N@H+]1CCC[C@H]1CCCNC(=O)Cn1cc[nH+]c1 ZINC001266247308 826963325 /nfs/dbraw/zinc/96/33/25/826963325.db2.gz IEJAYJCAMXWUFH-GFCCVEGCSA-N 2 2 293.371 -0.271 20 0 CBADLP COCC[NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001266632897 827035150 /nfs/dbraw/zinc/03/51/50/827035150.db2.gz VNVXJHJZVPPCQO-XYPYZODXSA-N 2 2 266.345 -0.154 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)[NH2+]CCCO ZINC001266950912 827094940 /nfs/dbraw/zinc/09/49/40/827094940.db2.gz XRYXWHKOOICGCZ-VXGBXAGGSA-N 2 2 280.372 -0.078 20 0 CBADLP C[C@@H](O)C[N@H+](C)CCNC(=O)CCn1cc[nH+]c1 ZINC001267209040 827127966 /nfs/dbraw/zinc/12/79/66/827127966.db2.gz HIFXEWPEXHFNCP-LLVKDONJSA-N 2 2 254.334 -0.298 20 0 CBADLP C[C@@H](O)C[N@@H+](C)CCNC(=O)CCn1cc[nH+]c1 ZINC001267209040 827127971 /nfs/dbraw/zinc/12/79/71/827127971.db2.gz HIFXEWPEXHFNCP-LLVKDONJSA-N 2 2 254.334 -0.298 20 0 CBADLP CN(CC[NH2+]Cc1ccn(C)n1)C(=O)Cc1c[nH+]c[nH]1 ZINC001267434617 827171200 /nfs/dbraw/zinc/17/12/00/827171200.db2.gz LPLKQJKXIZREID-UHFFFAOYSA-N 2 2 276.344 -0.066 20 0 CBADLP CCOCC[NH+]1CC(NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001267670991 827194964 /nfs/dbraw/zinc/19/49/64/827194964.db2.gz YXALSMGAEHSYJX-ZDUSSCGKSA-N 2 2 299.415 -0.208 20 0 CBADLP CCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001268316466 827295528 /nfs/dbraw/zinc/29/55/28/827295528.db2.gz SSYNRALSJVMIMQ-NEPJUHHUSA-N 2 2 280.372 -0.078 20 0 CBADLP CCC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001268316468 827295957 /nfs/dbraw/zinc/29/59/57/827295957.db2.gz SSYNRALSJVMIMQ-RYUDHWBXSA-N 2 2 280.372 -0.078 20 0 CBADLP Cn1cc(C[NH2+]C/C=C\CNC(=O)[C@@H]2CCC[N@@H+]2C)nn1 ZINC001268520615 827353228 /nfs/dbraw/zinc/35/32/28/827353228.db2.gz DIJRQEPNRRLZOZ-SCOBNMCVSA-N 2 2 292.387 -0.329 20 0 CBADLP Cn1cc(C[NH2+]C/C=C\CNC(=O)[C@@H]2CCC[N@H+]2C)nn1 ZINC001268520615 827353235 /nfs/dbraw/zinc/35/32/35/827353235.db2.gz DIJRQEPNRRLZOZ-SCOBNMCVSA-N 2 2 292.387 -0.329 20 0 CBADLP NC(=O)C[NH2+]C/C=C\CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001268559195 827365572 /nfs/dbraw/zinc/36/55/72/827365572.db2.gz BULGPEVXGHRJCC-RFMOXSJOSA-N 2 2 291.355 -0.807 20 0 CBADLP Cn1ncnc1C[NH2+]C/C=C\CNC(=O)CC[NH+](C)C ZINC001268586028 827374287 /nfs/dbraw/zinc/37/42/87/827374287.db2.gz CVFLYTRWEJPIIF-PLNGDYQASA-N 2 2 280.376 -0.471 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]C/C=C\CNC(=O)Cc1[nH]cc[nH+]1 ZINC001268607386 827378803 /nfs/dbraw/zinc/37/88/03/827378803.db2.gz HXEYJLMWEBZZAJ-UMBAGQNISA-N 2 2 279.344 -0.651 20 0 CBADLP C[C@H](C[NH2+]CCO)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001268653959 827391811 /nfs/dbraw/zinc/39/18/11/827391811.db2.gz WGRLELGHOFUWPN-MNOVXSKESA-N 2 2 266.345 -0.468 20 0 CBADLP C[C@H](C[NH2+]CCO)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001268654014 827392519 /nfs/dbraw/zinc/39/25/19/827392519.db2.gz XGRPAOJHGBFJTN-GHMZBOCLSA-N 2 2 266.345 -0.468 20 0 CBADLP C[C@H](C[N@H+](C)[C@@H](C)C(N)=O)NC(=O)Cn1cc[nH+]c1 ZINC001268760725 827418842 /nfs/dbraw/zinc/41/88/42/827418842.db2.gz XFDZOIUPENMXFK-ZJUUUORDSA-N 2 2 267.333 -0.807 20 0 CBADLP C[C@H](C[N@@H+](C)[C@@H](C)C(N)=O)NC(=O)Cn1cc[nH+]c1 ZINC001268760725 827418844 /nfs/dbraw/zinc/41/88/44/827418844.db2.gz XFDZOIUPENMXFK-ZJUUUORDSA-N 2 2 267.333 -0.807 20 0 CBADLP CN(CCC[NH2+]CCO)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001268803750 827424698 /nfs/dbraw/zinc/42/46/98/827424698.db2.gz PPNYMDQHFGLSRD-GFCCVEGCSA-N 2 2 280.372 -0.124 20 0 CBADLP C[NH+]1CC2(C1)CCCN(C(=O)[C@@H]1C[N@H+](C)CCO1)C2 ZINC001270976600 827610951 /nfs/dbraw/zinc/61/09/51/827610951.db2.gz HALRQXSPCMMJNS-LBPRGKRZSA-N 2 2 267.373 -0.129 20 0 CBADLP C[NH+]1CC2(C1)CCCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C2 ZINC001270976600 827610954 /nfs/dbraw/zinc/61/09/54/827610954.db2.gz HALRQXSPCMMJNS-LBPRGKRZSA-N 2 2 267.373 -0.129 20 0 CBADLP C[C@H](C[NH2+]CCO)N(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001271020881 827614875 /nfs/dbraw/zinc/61/48/75/827614875.db2.gz GBXDVAZVENACOZ-NEPJUHHUSA-N 2 2 280.372 -0.126 20 0 CBADLP C[C@H](C[NH2+]CCn1cncn1)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001271156677 827630828 /nfs/dbraw/zinc/63/08/28/827630828.db2.gz YYXKBJPWZAMAOG-LLVKDONJSA-N 2 2 291.359 -0.320 20 0 CBADLP C[C@H]([NH2+]CCO)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001271560594 827710186 /nfs/dbraw/zinc/71/01/86/827710186.db2.gz KUWPZAKGKJHGKT-RYUDHWBXSA-N 2 2 266.345 -0.298 20 0 CBADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C[NH2+]CCO ZINC001271684599 827718310 /nfs/dbraw/zinc/71/83/10/827718310.db2.gz OEQVXFPOZIALTD-MNOVXSKESA-N 2 2 266.345 -0.371 20 0 CBADLP CC(C)[NH2+]CCN(CCO)C(=O)Cc1c[nH+]c[nH]1 ZINC001272265356 827774790 /nfs/dbraw/zinc/77/47/90/827774790.db2.gz NJABFNNLFGJTEP-UHFFFAOYSA-N 2 2 254.334 -0.229 20 0 CBADLP C[N@@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)Cc1cc[nH+]c(N)c1 ZINC001272304881 827779328 /nfs/dbraw/zinc/77/93/28/827779328.db2.gz ZIGABVAWODMFDG-TXEJJXNPSA-N 2 2 276.340 -0.252 20 0 CBADLP C[N@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)Cc1cc[nH+]c(N)c1 ZINC001272304881 827779330 /nfs/dbraw/zinc/77/93/30/827779330.db2.gz ZIGABVAWODMFDG-TXEJJXNPSA-N 2 2 276.340 -0.252 20 0 CBADLP C[C@@H](F)CC[NH2+]C[C@H](O)CNC(=O)Cc1c[nH+]cn1C ZINC001272560363 827819823 /nfs/dbraw/zinc/81/98/23/827819823.db2.gz PNIRWECFHDXDHG-PWSUYJOCSA-N 2 2 286.351 -0.223 20 0 CBADLP C[C@@H](CC[NH2+]CC(N)=O)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001272873117 827846794 /nfs/dbraw/zinc/84/67/94/827846794.db2.gz GQBOSCIWPSNYRY-QWRGUYRKSA-N 2 2 293.371 -0.585 20 0 CBADLP C[C@@H](CC[NH2+]CC(=O)N(C)C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001273091898 827865268 /nfs/dbraw/zinc/86/52/68/827865268.db2.gz XXCLCQKULVESCS-JTQLQIEISA-N 2 2 281.360 -0.475 20 0 CBADLP CN(C)C(=O)C[N@@H+]1CCC2(CN(C(=O)C[NH+]3CCC3)C2)C1 ZINC001273362914 827892184 /nfs/dbraw/zinc/89/21/84/827892184.db2.gz HERUKTHNAHRUHM-UHFFFAOYSA-N 2 2 294.399 -0.685 20 0 CBADLP CN(C)C(=O)C[N@H+]1CCC2(CN(C(=O)C[NH+]3CCC3)C2)C1 ZINC001273362914 827892196 /nfs/dbraw/zinc/89/21/96/827892196.db2.gz HERUKTHNAHRUHM-UHFFFAOYSA-N 2 2 294.399 -0.685 20 0 CBADLP CCN(CC[NH2+]CC(N)=O)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001273465761 827901432 /nfs/dbraw/zinc/90/14/32/827901432.db2.gz CXDMDTUKKMMNRZ-LLVKDONJSA-N 2 2 293.371 -0.631 20 0 CBADLP C[N@@H+]1CC[C@@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001273524742 827906711 /nfs/dbraw/zinc/90/67/11/827906711.db2.gz GZZZXRNGWPSWAQ-CYBMUJFWSA-N 2 2 264.329 -0.184 20 0 CBADLP C[N@H+]1CC[C@@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001273524742 827906716 /nfs/dbraw/zinc/90/67/16/827906716.db2.gz GZZZXRNGWPSWAQ-CYBMUJFWSA-N 2 2 264.329 -0.184 20 0 CBADLP CCN(CC[NH2+]CC(N)=O)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001273616119 827913874 /nfs/dbraw/zinc/91/38/74/827913874.db2.gz QTJLVTZQKVVKRV-GHMZBOCLSA-N 2 2 293.371 -0.553 20 0 CBADLP CN1C[C@@]2(CC[N@H+](CCC[NH+](C)C)C2)OCC1=O ZINC001273715247 827922491 /nfs/dbraw/zinc/92/24/91/827922491.db2.gz ZXTVZJCKOBHPCP-CYBMUJFWSA-N 2 2 255.362 -0.129 20 0 CBADLP CN1C[C@@]2(CC[N@@H+](CCC[NH+](C)C)C2)OCC1=O ZINC001273715247 827922494 /nfs/dbraw/zinc/92/24/94/827922494.db2.gz ZXTVZJCKOBHPCP-CYBMUJFWSA-N 2 2 255.362 -0.129 20 0 CBADLP COC(=O)C[NH+]1CCC2(C[C@H]2C(=O)NCC[NH+](C)C)CC1 ZINC001273931746 827944196 /nfs/dbraw/zinc/94/41/96/827944196.db2.gz TZGVSABSJCBNIA-LBPRGKRZSA-N 2 2 297.399 -0.061 20 0 CBADLP CCOCC[NH+]1CC2(C1)COCC(=O)N2CC[NH+](C)C ZINC001273959951 827946802 /nfs/dbraw/zinc/94/68/02/827946802.db2.gz VCJJLKAKNWIJGC-UHFFFAOYSA-N 2 2 285.388 -0.502 20 0 CBADLP CC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273982141 827948266 /nfs/dbraw/zinc/94/82/66/827948266.db2.gz IYVOLOALNGWPJP-IUODEOHRSA-N 2 2 297.399 -0.171 20 0 CBADLP CC(=O)[C@@H](C)[N@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273982141 827948270 /nfs/dbraw/zinc/94/82/70/827948270.db2.gz IYVOLOALNGWPJP-IUODEOHRSA-N 2 2 297.399 -0.171 20 0 CBADLP CC(=O)[C@H](C)[N@@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273982142 827948290 /nfs/dbraw/zinc/94/82/90/827948290.db2.gz IYVOLOALNGWPJP-SWLSCSKDSA-N 2 2 297.399 -0.171 20 0 CBADLP CC(=O)[C@H](C)[N@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273982142 827948294 /nfs/dbraw/zinc/94/82/94/827948294.db2.gz IYVOLOALNGWPJP-SWLSCSKDSA-N 2 2 297.399 -0.171 20 0 CBADLP CC(=O)[C@@H](C)[N@@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273982140 827948625 /nfs/dbraw/zinc/94/86/25/827948625.db2.gz IYVOLOALNGWPJP-DOMZBBRYSA-N 2 2 297.399 -0.171 20 0 CBADLP CC(=O)[C@@H](C)[N@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273982140 827948633 /nfs/dbraw/zinc/94/86/33/827948633.db2.gz IYVOLOALNGWPJP-DOMZBBRYSA-N 2 2 297.399 -0.171 20 0 CBADLP CC[C@H](C(=O)NC/C=C/C[NH2+]Cc1cnn(C)n1)[NH+](C)C ZINC001274507506 827995410 /nfs/dbraw/zinc/99/54/10/827995410.db2.gz DXUPMRCLEAVYJS-KTRBRXNASA-N 2 2 294.403 -0.083 20 0 CBADLP C[C@H](C[NH2+]CCS(C)(=O)=O)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001274701630 828022049 /nfs/dbraw/zinc/02/20/49/828022049.db2.gz MKRAJBGGEBOEBZ-MNOVXSKESA-N 2 2 291.417 -0.781 20 0 CBADLP C[C@H](C[NH2+]CCS(C)(=O)=O)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001274701630 828022058 /nfs/dbraw/zinc/02/20/58/828022058.db2.gz MKRAJBGGEBOEBZ-MNOVXSKESA-N 2 2 291.417 -0.781 20 0 CBADLP C[NH+](C)CCN1CCC12C[NH+](CC1C(=O)N=CNC1=O)C2 ZINC001275273470 828075108 /nfs/dbraw/zinc/07/51/08/828075108.db2.gz QZUZALAFSMIFFI-UHFFFAOYSA-N 2 2 293.371 -0.291 20 0 CBADLP C[C@@H](O)C[N@H+](C)C[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001275698670 828109164 /nfs/dbraw/zinc/10/91/64/828109164.db2.gz SKBXDFBYGUFJPU-GHMZBOCLSA-N 2 2 268.361 -0.220 20 0 CBADLP C[C@@H](O)C[N@@H+](C)C[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001275698670 828109170 /nfs/dbraw/zinc/10/91/70/828109170.db2.gz SKBXDFBYGUFJPU-GHMZBOCLSA-N 2 2 268.361 -0.220 20 0 CBADLP Cn1cncc1C[N@H+]1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001276148618 828135738 /nfs/dbraw/zinc/13/57/38/828135738.db2.gz LXWGXZJSDIGUAY-CABCVRRESA-N 2 2 293.415 -0.133 20 0 CBADLP Cn1cncc1C[N@@H+]1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001276148618 828135745 /nfs/dbraw/zinc/13/57/45/828135745.db2.gz LXWGXZJSDIGUAY-CABCVRRESA-N 2 2 293.415 -0.133 20 0 CBADLP C[C@@H](NC(=O)CCCC[NH+](C)C)C1C[NH+](CC(N)=O)C1 ZINC001276453890 828146909 /nfs/dbraw/zinc/14/69/09/828146909.db2.gz QZSCKKAWNKSLIO-LLVKDONJSA-N 2 2 284.404 -0.360 20 0 CBADLP CCOCC[N@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001276825317 828162064 /nfs/dbraw/zinc/16/20/64/828162064.db2.gz YYVMCGWAQMQPIG-QWHCGFSZSA-N 2 2 285.388 -0.456 20 0 CBADLP CCOCC[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001276825317 828162067 /nfs/dbraw/zinc/16/20/67/828162067.db2.gz YYVMCGWAQMQPIG-QWHCGFSZSA-N 2 2 285.388 -0.456 20 0 CBADLP CCOCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001276825317 828162061 /nfs/dbraw/zinc/16/20/61/828162061.db2.gz YYVMCGWAQMQPIG-QWHCGFSZSA-N 2 2 285.388 -0.456 20 0 CBADLP CCOCC[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001276825317 828162072 /nfs/dbraw/zinc/16/20/72/828162072.db2.gz YYVMCGWAQMQPIG-QWHCGFSZSA-N 2 2 285.388 -0.456 20 0 CBADLP C[C@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001276986536 828170210 /nfs/dbraw/zinc/17/02/10/828170210.db2.gz XGTYZYKXRRMHFG-WDEREUQCSA-N 2 2 252.318 -0.546 20 0 CBADLP C[C@H](O)C[N@H+]1CC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001276986536 828170213 /nfs/dbraw/zinc/17/02/13/828170213.db2.gz XGTYZYKXRRMHFG-WDEREUQCSA-N 2 2 252.318 -0.546 20 0 CBADLP C[C@H](O)C[NH2+]C1(CNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001277224834 828180024 /nfs/dbraw/zinc/18/00/24/828180024.db2.gz LZAGXJOBSVPZOR-JTQLQIEISA-N 2 2 266.345 -0.418 20 0 CBADLP C[NH+](C)CCN1CC2(C1)C[NH+](CC(=O)N1CCCC1)C2 ZINC001277518594 828193024 /nfs/dbraw/zinc/19/30/24/828193024.db2.gz ZQTIBRQJIFKOBO-UHFFFAOYSA-N 2 2 280.416 -0.212 20 0 CBADLP C[NH+]1CC2(C1)CC[NH+](CC(=O)N1CC[NH+](C)CC1)CC2 ZINC001277631763 828199635 /nfs/dbraw/zinc/19/96/35/828199635.db2.gz MWGUVPPYKMGERF-UHFFFAOYSA-N 3 2 280.416 -0.212 20 0 CBADLP COC(=O)C[N@@H+]1CC[C@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001277821364 828212341 /nfs/dbraw/zinc/21/23/41/828212341.db2.gz MDTCLSYRSNPKFV-RYUDHWBXSA-N 2 2 255.362 -0.130 20 0 CBADLP COC(=O)C[N@H+]1CC[C@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001277821364 828212345 /nfs/dbraw/zinc/21/23/45/828212345.db2.gz MDTCLSYRSNPKFV-RYUDHWBXSA-N 2 2 255.362 -0.130 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)N1CCC[C@@H]1C[NH2+]CCO ZINC001277907499 828217582 /nfs/dbraw/zinc/21/75/82/828217582.db2.gz BEYHWGZVGQPFFB-GFCCVEGCSA-N 2 2 280.372 -0.074 20 0 CBADLP CC[C@@H](C(N)=O)[NH+]1CC2(CCN2CC[NH+](C)C)C1 ZINC001278032177 828233530 /nfs/dbraw/zinc/23/35/30/828233530.db2.gz IHETZCINSTYRKG-NSHDSACASA-N 2 2 254.378 -0.428 20 0 CBADLP CC[NH2+][C@H](CO)CNC(=O)CCc1c[nH+]cn1C ZINC001278187755 828256418 /nfs/dbraw/zinc/25/64/18/828256418.db2.gz XLWOZMQWDHYGKL-JTQLQIEISA-N 2 2 254.334 -0.561 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[C@@H](C[NH2+]CCO)C1 ZINC001278606797 828274541 /nfs/dbraw/zinc/27/45/41/828274541.db2.gz BQCOHYVOWXRNSZ-NEPJUHHUSA-N 2 2 280.372 -0.171 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CC[C@H](C[NH2+]CCO)C1 ZINC001278594940 828275250 /nfs/dbraw/zinc/27/52/50/828275250.db2.gz QKQPLDPCMPWWHG-WDEREUQCSA-N 2 2 266.345 -0.181 20 0 CBADLP Cc1cc(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)no1 ZINC001348957666 890736732 /nfs/dbraw/zinc/73/67/32/890736732.db2.gz LBPZEJCRYUOTFR-ZDUSSCGKSA-N 2 2 268.361 -0.319 20 0 CBADLP C[C@@H](CNC(=O)C[C@@H]1CC[NH2+]C1)[NH+]1CCN(C)CC1 ZINC001326371579 885006834 /nfs/dbraw/zinc/00/68/34/885006834.db2.gz MSVVBALHGUDXPM-STQMWFEESA-N 2 2 268.405 -0.262 20 0 CBADLP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)CC[N@@H+]1C ZINC001326599744 885079789 /nfs/dbraw/zinc/07/97/89/885079789.db2.gz PUCPHEPOUGCBGZ-RBSFLKMASA-N 3 2 284.448 -0.333 20 0 CBADLP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)CC[N@H+]1C ZINC001326599744 885079801 /nfs/dbraw/zinc/07/98/01/885079801.db2.gz PUCPHEPOUGCBGZ-RBSFLKMASA-N 3 2 284.448 -0.333 20 0 CBADLP O=C1NCC[C@H]1[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001327628825 885434481 /nfs/dbraw/zinc/43/44/81/885434481.db2.gz HOIPAQLIAUBNJQ-VXGBXAGGSA-N 2 2 253.346 -0.282 20 0 CBADLP O=C(C[N@@H+]1CCOC[C@H]1C1CC1)N1CC[NH2+]CC1 ZINC001329500203 886095697 /nfs/dbraw/zinc/09/56/97/886095697.db2.gz ZLRWOTSAKGZNKO-LBPRGKRZSA-N 2 2 253.346 -0.471 20 0 CBADLP O=C(C[N@H+]1CCOC[C@H]1C1CC1)N1CC[NH2+]CC1 ZINC001329500203 886095716 /nfs/dbraw/zinc/09/57/16/886095716.db2.gz ZLRWOTSAKGZNKO-LBPRGKRZSA-N 2 2 253.346 -0.471 20 0 CBADLP CCC1([NH3+])CCN(C(=O)CN2CC[NH2+]CC2=O)CC1 ZINC001330969761 886639585 /nfs/dbraw/zinc/63/95/85/886639585.db2.gz VQUJGKDGDSECBY-UHFFFAOYSA-N 2 2 268.361 -0.852 20 0 CBADLP CC[NH2+][C@H](C)C(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001331041279 886654815 /nfs/dbraw/zinc/65/48/15/886654815.db2.gz JEBSYEYXRRWFOZ-ZJUUUORDSA-N 2 2 256.350 -0.950 20 0 CBADLP CC[NH2+][C@H](C)C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001331041279 886654827 /nfs/dbraw/zinc/65/48/27/886654827.db2.gz JEBSYEYXRRWFOZ-ZJUUUORDSA-N 2 2 256.350 -0.950 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@@H](CO)[NH2+]CC1CCC1 ZINC001331843120 887010431 /nfs/dbraw/zinc/01/04/31/887010431.db2.gz SWOPJQGRAGGNJV-LBPRGKRZSA-N 2 2 266.345 -0.250 20 0 CBADLP Cn1c[nH+]cc1[C@@H](CO)NC(=O)C1CC[NH+](C)CC1 ZINC001332209278 887152750 /nfs/dbraw/zinc/15/27/50/887152750.db2.gz IZXTWBDBYUAMIV-LLVKDONJSA-N 2 2 266.345 -0.089 20 0 CBADLP C[C@@H](NC(=O)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21)[C@@H](C)[NH+]1CCOCC1 ZINC001332292375 887187407 /nfs/dbraw/zinc/18/74/07/887187407.db2.gz OFKHTBXTQKMGFK-NAWOPXAZSA-N 2 2 267.373 -0.180 20 0 CBADLP C[C@@H](C[NH2+]CCS(C)(=O)=O)N1CC[NH+](C)CC1 ZINC001335399918 888523747 /nfs/dbraw/zinc/52/37/47/888523747.db2.gz KXKDLWPTKKVQMV-NSHDSACASA-N 2 2 263.407 -0.744 20 0 CBADLP O[C@H](C[NH2+][C@@H]1Cc2c[nH+]cn2C1)C[C@]1(O)CCOC1 ZINC001335468794 888541545 /nfs/dbraw/zinc/54/15/45/888541545.db2.gz VYAWACGNMJFEPD-KGYLQXTDSA-N 2 2 267.329 -0.700 20 0 CBADLP C[C@@H]1CC[N@H+](CC[NH2+]C[C@H](O)C2(O)CCOCC2)C1 ZINC001335445434 888536173 /nfs/dbraw/zinc/53/61/73/888536173.db2.gz RVZCMGNLUYKPQN-OLZOCXBDSA-N 2 2 272.389 -0.180 20 0 CBADLP C[C@@H]1CC[N@@H+](CC[NH2+]C[C@H](O)C2(O)CCOCC2)C1 ZINC001335445434 888536182 /nfs/dbraw/zinc/53/61/82/888536182.db2.gz RVZCMGNLUYKPQN-OLZOCXBDSA-N 2 2 272.389 -0.180 20 0 CBADLP CC[C@@H](CO)NC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001336194670 888715313 /nfs/dbraw/zinc/71/53/13/888715313.db2.gz ZRJKLZYECQOECB-NSHDSACASA-N 2 2 258.366 -0.520 20 0 CBADLP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)C(=O)NCCF ZINC001336832521 888895018 /nfs/dbraw/zinc/89/50/18/888895018.db2.gz XIMOXCCFXSVOJR-GHMZBOCLSA-N 2 2 261.341 -0.493 20 0 CBADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NCCC[NH3+] ZINC001336882411 888907728 /nfs/dbraw/zinc/90/77/28/888907728.db2.gz BRJPYADBFNQDTR-LLVKDONJSA-N 2 2 258.366 -0.255 20 0 CBADLP C[C@@]1(C(=O)NCCCCn2cc[nH+]c2)C[C@H](O)C[NH2+]1 ZINC001340055454 889371487 /nfs/dbraw/zinc/37/14/87/889371487.db2.gz AEEOQWINGYLORH-AAEUAGOBSA-N 2 2 266.345 -0.108 20 0 CBADLP C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001340746364 889480117 /nfs/dbraw/zinc/48/01/17/889480117.db2.gz GYGPUUHPZOZBDC-JQWIXIFHSA-N 2 2 266.345 -0.516 20 0 CBADLP CN(CCOCC[NH3+])C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001340841520 889495215 /nfs/dbraw/zinc/49/52/15/889495215.db2.gz DGDHXTMWOWRPOS-LLVKDONJSA-N 2 2 266.345 -0.121 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)C(=O)NC1C[NH+](C[C@H](C)O)C1 ZINC001443553042 912222383 /nfs/dbraw/zinc/22/23/83/912222383.db2.gz CQIUYLSHGMSAQY-NEPJUHHUSA-N 2 2 285.388 -0.864 20 0 CBADLP CC[C@@H](C(=O)NCC1C[NH+](CC(=O)NC)C1)[NH+](C)C ZINC001443613584 912243856 /nfs/dbraw/zinc/24/38/56/912243856.db2.gz KYFSHEJVANROPD-NSHDSACASA-N 2 2 270.377 -0.879 20 0 CBADLP CC[NH+](CC)C[C@H](F)C(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001443669826 912254267 /nfs/dbraw/zinc/25/42/67/912254267.db2.gz QBJJVWRRXFCFKE-NSHDSACASA-N 2 2 288.367 -0.800 20 0 CBADLP CN(C)C(=O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)C ZINC001443684631 912260576 /nfs/dbraw/zinc/26/05/76/912260576.db2.gz CPUJXLKRUWUJGS-RYUDHWBXSA-N 2 2 282.388 -0.689 20 0 CBADLP CN(C)C(=O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)C ZINC001443684631 912260591 /nfs/dbraw/zinc/26/05/91/912260591.db2.gz CPUJXLKRUWUJGS-RYUDHWBXSA-N 2 2 282.388 -0.689 20 0 CBADLP CC(C)[C@@H](C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1)[NH+](C)C ZINC001443768912 912274555 /nfs/dbraw/zinc/27/45/55/912274555.db2.gz WIMNQMHEOBYIFD-TUAOUCFPSA-N 2 2 284.404 -0.363 20 0 CBADLP CC(C)[C@@H](C(=O)N[C@@H]1CC[N@H+]([C@@H](C)C(N)=O)C1)[NH+](C)C ZINC001443768912 912274572 /nfs/dbraw/zinc/27/45/72/912274572.db2.gz WIMNQMHEOBYIFD-TUAOUCFPSA-N 2 2 284.404 -0.363 20 0 CBADLP CCN(C(=O)C[NH+](C)C(C)C)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001443882067 912293700 /nfs/dbraw/zinc/29/37/00/912293700.db2.gz RXBLCDLEBDMWOQ-GFCCVEGCSA-N 2 2 284.404 -0.265 20 0 CBADLP CCN(C(=O)C[NH+](C)C(C)C)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001443882067 912293717 /nfs/dbraw/zinc/29/37/17/912293717.db2.gz RXBLCDLEBDMWOQ-GFCCVEGCSA-N 2 2 284.404 -0.265 20 0 CBADLP CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001443882067 912293737 /nfs/dbraw/zinc/29/37/37/912293737.db2.gz RXBLCDLEBDMWOQ-GFCCVEGCSA-N 2 2 284.404 -0.265 20 0 CBADLP CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001443882067 912293754 /nfs/dbraw/zinc/29/37/54/912293754.db2.gz RXBLCDLEBDMWOQ-GFCCVEGCSA-N 2 2 284.404 -0.265 20 0 CBADLP C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001342265562 889740644 /nfs/dbraw/zinc/74/06/44/889740644.db2.gz BPBZOKNFWWENGA-QWRGUYRKSA-N 2 2 266.345 -0.516 20 0 CBADLP CC[C@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)[NH2+]CCO ZINC001443961176 912312519 /nfs/dbraw/zinc/31/25/19/912312519.db2.gz UFVDHKYVMXRCMK-NWDGAFQWSA-N 2 2 280.372 -0.078 20 0 CBADLP CC[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@H]1CCN(C)C1=O ZINC001444013138 912326173 /nfs/dbraw/zinc/32/61/73/912326173.db2.gz SPVYAIOCDBBUND-JQWIXIFHSA-N 2 2 293.371 -0.333 20 0 CBADLP CC[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@@H]1CCNC1=O ZINC001444016355 912326904 /nfs/dbraw/zinc/32/69/04/912326904.db2.gz XIZBQZGFPFLLCX-GXSJLCMTSA-N 2 2 279.344 -0.675 20 0 CBADLP CC[C@H](CNC(=O)Cc1[nH]c[nH+]c1C)[NH2+][C@H](C)C(=O)NC ZINC001444016996 912327606 /nfs/dbraw/zinc/32/76/06/912327606.db2.gz MPVTYNWBTUORSY-GHMZBOCLSA-N 2 2 295.387 -0.120 20 0 CBADLP C[C@H]1CC[NH2+][C@H](C(=O)NCC[NH+]2CCC([NH3+])CC2)C1 ZINC001342548203 889792149 /nfs/dbraw/zinc/79/21/49/889792149.db2.gz AJCDQDOVNIZUAZ-AAEUAGOBSA-N 3 2 268.405 -0.086 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC1(C[NH2+]CC(N)=O)CCCC1 ZINC001444094776 912360890 /nfs/dbraw/zinc/36/08/90/912360890.db2.gz WKGQFUMIUUGNLY-UHFFFAOYSA-N 2 2 293.371 -0.534 20 0 CBADLP CCOCC[NH+]1CCN(C(=O)[C@]2(C)C[C@H](O)C[NH2+]2)CC1 ZINC001343372544 889896164 /nfs/dbraw/zinc/89/61/64/889896164.db2.gz SYPWAOXZJSRRKL-JSGCOSHPSA-N 2 2 285.388 -0.720 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)CC1CC([NH3+])C1 ZINC001343422179 889905836 /nfs/dbraw/zinc/90/58/36/889905836.db2.gz XGNYMDHQOJMVND-VOMCLLRMSA-N 2 2 255.362 -0.049 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)CC1CC([NH3+])C1 ZINC001343422179 889905845 /nfs/dbraw/zinc/90/58/45/889905845.db2.gz XGNYMDHQOJMVND-VOMCLLRMSA-N 2 2 255.362 -0.049 20 0 CBADLP C[C@H](NC(=O)[C@@H]1CCC[C@@H]1[NH3+])[C@@H]1CN(C)CC[N@@H+]1C ZINC001343492910 889922430 /nfs/dbraw/zinc/92/24/30/889922430.db2.gz WKERLNODCCCXKZ-RNJOBUHISA-N 2 2 268.405 -0.136 20 0 CBADLP C[C@H](NC(=O)[C@@H]1CCC[C@@H]1[NH3+])[C@@H]1CN(C)CC[N@H+]1C ZINC001343492910 889922441 /nfs/dbraw/zinc/92/24/41/889922441.db2.gz WKERLNODCCCXKZ-RNJOBUHISA-N 2 2 268.405 -0.136 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)C[NH2+]CC(N)=O ZINC001444329239 912426289 /nfs/dbraw/zinc/42/62/89/912426289.db2.gz UZRSPERZNRZFIA-MNOVXSKESA-N 2 2 293.371 -0.727 20 0 CBADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C[NH2+]Cc1nncn1C ZINC001444368194 912437046 /nfs/dbraw/zinc/43/70/46/912437046.db2.gz DQVJRRIQFAZDAV-SNVBAGLBSA-N 2 2 291.359 -0.377 20 0 CBADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+][C@H]1CCN(C)C1=O ZINC001444415790 912447754 /nfs/dbraw/zinc/44/77/54/912447754.db2.gz ARTGDXIMKINABL-RYUDHWBXSA-N 2 2 293.371 -0.544 20 0 CBADLP COCC[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001444476170 912456966 /nfs/dbraw/zinc/45/69/66/912456966.db2.gz MMORCLXPCDUWTN-ZDUSSCGKSA-N 2 2 285.388 -0.454 20 0 CBADLP COCC[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001444476170 912456973 /nfs/dbraw/zinc/45/69/73/912456973.db2.gz MMORCLXPCDUWTN-ZDUSSCGKSA-N 2 2 285.388 -0.454 20 0 CBADLP C[C@H](C[NH2+][C@H]1CCCNC1=O)N(C)C(=O)Cn1cc[nH+]c1 ZINC001444727264 912496770 /nfs/dbraw/zinc/49/67/70/912496770.db2.gz NLAWSXVZYIQBQA-NEPJUHHUSA-N 2 2 293.371 -0.402 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001445103201 912556416 /nfs/dbraw/zinc/55/64/16/912556416.db2.gz DBAWIVMKIJXMOU-QWRGUYRKSA-N 2 2 293.371 -0.427 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CCC[C@H]1C[NH2+]CC(N)=O ZINC001445102064 912557790 /nfs/dbraw/zinc/55/77/90/912557790.db2.gz CJYYHGVXYGDVOI-JQWIXIFHSA-N 2 2 293.371 -0.678 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N(C)CC[NH+](C)CC(=O)NC1CC1 ZINC001445086402 912558690 /nfs/dbraw/zinc/55/86/90/912558690.db2.gz QMICMZIEMYXJRD-UHFFFAOYSA-N 2 2 298.431 -0.005 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N(C)CC[NH+](C)CC(=O)NC1CC1 ZINC001445086402 912558701 /nfs/dbraw/zinc/55/87/01/912558701.db2.gz QMICMZIEMYXJRD-UHFFFAOYSA-N 2 2 298.431 -0.005 20 0 CBADLP CC(C)[NH+](C)CC(=O)N(C)CC[N@H+](C)CC(=O)NC1CC1 ZINC001445086402 912558713 /nfs/dbraw/zinc/55/87/13/912558713.db2.gz QMICMZIEMYXJRD-UHFFFAOYSA-N 2 2 298.431 -0.005 20 0 CBADLP CC(C)[NH+](C)CC(=O)N(C)CC[N@@H+](C)CC(=O)NC1CC1 ZINC001445086402 912558728 /nfs/dbraw/zinc/55/87/28/912558728.db2.gz QMICMZIEMYXJRD-UHFFFAOYSA-N 2 2 298.431 -0.005 20 0 CBADLP CC(C)[NH2+]C[C@H](O)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001445200346 912600046 /nfs/dbraw/zinc/60/00/46/912600046.db2.gz GTDBKVSNFKWQOE-AAEUAGOBSA-N 2 2 280.372 -0.079 20 0 CBADLP C[NH+](C)CCC(=O)NC[C@@H](O)C[NH2+]Cc1csnn1 ZINC001445224711 912602521 /nfs/dbraw/zinc/60/25/21/912602521.db2.gz KQVUGPLSVPTUPX-JTQLQIEISA-N 2 2 287.389 -0.944 20 0 CBADLP Cc1cc(C[NH2+]C[C@@H](O)CNC(=O)C[NH+]2CCCC2)no1 ZINC001445279074 912624208 /nfs/dbraw/zinc/62/42/08/912624208.db2.gz YGFRJACHQOEZNK-CYBMUJFWSA-N 2 2 296.371 -0.354 20 0 CBADLP C[C@@H](CC[NH2+][C@H]1CCN(C)C1=O)NC(=O)Cc1c[nH]c[nH+]1 ZINC001445297295 912626847 /nfs/dbraw/zinc/62/68/47/912626847.db2.gz AFAZACJXSKSSGG-JQWIXIFHSA-N 2 2 293.371 -0.333 20 0 CBADLP C[C@H](C[NH2+]Cc1cnns1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001445368439 912651398 /nfs/dbraw/zinc/65/13/98/912651398.db2.gz BJEQDFQASROECL-MWLCHTKSSA-N 2 2 299.400 -0.537 20 0 CBADLP C[C@H](C[NH2+]Cc1cnns1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001445368439 912651409 /nfs/dbraw/zinc/65/14/09/912651409.db2.gz BJEQDFQASROECL-MWLCHTKSSA-N 2 2 299.400 -0.537 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)C[C@H]1CC[NH2+]C1 ZINC001347147696 890416340 /nfs/dbraw/zinc/41/63/40/890416340.db2.gz HZSDHLHTTPDXTD-MNOVXSKESA-N 2 2 269.345 -0.651 20 0 CBADLP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NCCCn1cc[nH+]c1 ZINC001347157855 890418448 /nfs/dbraw/zinc/41/84/48/890418448.db2.gz WMESNOCPXVFURP-QWRGUYRKSA-N 2 2 252.318 -0.247 20 0 CBADLP CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001445456516 912671077 /nfs/dbraw/zinc/67/10/77/912671077.db2.gz QSDCZTULXSCIIB-GHMZBOCLSA-N 2 2 295.387 -0.181 20 0 CBADLP CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001445456516 912671087 /nfs/dbraw/zinc/67/10/87/912671087.db2.gz QSDCZTULXSCIIB-GHMZBOCLSA-N 2 2 295.387 -0.181 20 0 CBADLP CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001445456524 912672814 /nfs/dbraw/zinc/67/28/14/912672814.db2.gz QSDCZTULXSCIIB-WDEREUQCSA-N 2 2 295.387 -0.181 20 0 CBADLP CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001445456524 912672822 /nfs/dbraw/zinc/67/28/22/912672822.db2.gz QSDCZTULXSCIIB-WDEREUQCSA-N 2 2 295.387 -0.181 20 0 CBADLP C[C@H](C[NH2+]CC(=O)N(C)C)NC(=O)CCCn1cc[nH+]c1 ZINC001445496450 912681272 /nfs/dbraw/zinc/68/12/72/912681272.db2.gz HYMCGSWXXUGMQW-GFCCVEGCSA-N 2 2 295.387 -0.154 20 0 CBADLP CC(C)NC(=O)C[NH2+]C[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001445590735 912707626 /nfs/dbraw/zinc/70/76/26/912707626.db2.gz QEIMPVLBVXJNAI-LBPRGKRZSA-N 2 2 295.387 -0.108 20 0 CBADLP COC[C@H](O)C[NH2+]C[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001445640897 912720443 /nfs/dbraw/zinc/72/04/43/912720443.db2.gz AMYVQRFRKFVXHX-GXSJLCMTSA-N 2 2 284.360 -0.638 20 0 CBADLP CC[C@H](C(N)=O)[N@H+](C)C[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001445851689 912768611 /nfs/dbraw/zinc/76/86/11/912768611.db2.gz HUPNSGYOVBOXCM-BXKDBHETSA-N 2 2 295.387 -0.039 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+](C)C[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001445851689 912768627 /nfs/dbraw/zinc/76/86/27/912768627.db2.gz HUPNSGYOVBOXCM-BXKDBHETSA-N 2 2 295.387 -0.039 20 0 CBADLP C[C@H](C[N@H+](C)Cc1cnnn1C)NC(=O)C[NH+]1CCCC1 ZINC001445866640 912773815 /nfs/dbraw/zinc/77/38/15/912773815.db2.gz HNKWHSMJAOVXFE-GFCCVEGCSA-N 2 2 294.403 -0.153 20 0 CBADLP C[C@H](C[N@@H+](C)Cc1cnnn1C)NC(=O)C[NH+]1CCCC1 ZINC001445866640 912773829 /nfs/dbraw/zinc/77/38/29/912773829.db2.gz HNKWHSMJAOVXFE-GFCCVEGCSA-N 2 2 294.403 -0.153 20 0 CBADLP CNC(=O)C[NH2+]C[C@H](NC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001445984215 912797979 /nfs/dbraw/zinc/79/79/79/912797979.db2.gz GUJZVVUFGMWRMO-JTQLQIEISA-N 2 2 279.344 -0.817 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]C[C@@H](NC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001446022896 912800255 /nfs/dbraw/zinc/80/02/55/912800255.db2.gz WOKHVUVRXROUGD-CMPLNLGQSA-N 2 2 293.371 -0.498 20 0 CBADLP CC[N@H+](C)CCC(=O)NC[C@H]1CC[NH+]1[C@@H]1CCCNC1=O ZINC001446124657 912817945 /nfs/dbraw/zinc/81/79/45/912817945.db2.gz HUFORNYDPPIMAB-CHWSQXEVSA-N 2 2 296.415 -0.203 20 0 CBADLP CC[N@@H+](C)CCC(=O)NC[C@H]1CC[NH+]1[C@@H]1CCCNC1=O ZINC001446124657 912817958 /nfs/dbraw/zinc/81/79/58/912817958.db2.gz HUFORNYDPPIMAB-CHWSQXEVSA-N 2 2 296.415 -0.203 20 0 CBADLP CC[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+]1[C@@H]1CCCNC1=O ZINC001446124657 912817978 /nfs/dbraw/zinc/81/79/78/912817978.db2.gz HUFORNYDPPIMAB-CHWSQXEVSA-N 2 2 296.415 -0.203 20 0 CBADLP CC[NH+](C)CCC(=O)NC[C@H]1CC[N@H+]1[C@@H]1CCCNC1=O ZINC001446124657 912817991 /nfs/dbraw/zinc/81/79/91/912817991.db2.gz HUFORNYDPPIMAB-CHWSQXEVSA-N 2 2 296.415 -0.203 20 0 CBADLP O=C(C[NH+]1CCCC1)NC[C@@H]1CC[N@@H+]1CCn1cncn1 ZINC001446133182 912822724 /nfs/dbraw/zinc/82/27/24/912822724.db2.gz ZOBJKAKYTIIRRO-ZDUSSCGKSA-N 2 2 292.387 -0.436 20 0 CBADLP O=C(C[NH+]1CCCC1)NC[C@@H]1CC[N@H+]1CCn1cncn1 ZINC001446133182 912822741 /nfs/dbraw/zinc/82/27/41/912822741.db2.gz ZOBJKAKYTIIRRO-ZDUSSCGKSA-N 2 2 292.387 -0.436 20 0 CBADLP O=C(NC[C@@H]1CC[N@@H+](CCO)C1)[C@H]1CCc2[nH+]ccn2C1 ZINC001028642277 884615201 /nfs/dbraw/zinc/61/52/01/884615201.db2.gz RPUCUYXPGOSSLW-STQMWFEESA-N 2 2 292.383 -0.124 20 0 CBADLP O=C(NC[C@@H]1CC[N@H+](CCO)C1)[C@H]1CCc2[nH+]ccn2C1 ZINC001028642277 884615211 /nfs/dbraw/zinc/61/52/11/884615211.db2.gz RPUCUYXPGOSSLW-STQMWFEESA-N 2 2 292.383 -0.124 20 0 CBADLP O=C(NC[C@H]1CC[N@@H+](CCO)C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001028643801 884615400 /nfs/dbraw/zinc/61/54/00/884615400.db2.gz SEFIEGDZRWYCGO-CHWSQXEVSA-N 2 2 292.383 -0.124 20 0 CBADLP O=C(NC[C@H]1CC[N@H+](CCO)C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001028643801 884615406 /nfs/dbraw/zinc/61/54/06/884615406.db2.gz SEFIEGDZRWYCGO-CHWSQXEVSA-N 2 2 292.383 -0.124 20 0 CBADLP O=C(NC[C@H]1CC[N@@H+](CCO)C1)[C@H]1CCc2[nH+]ccn2C1 ZINC001028642275 884615575 /nfs/dbraw/zinc/61/55/75/884615575.db2.gz RPUCUYXPGOSSLW-OLZOCXBDSA-N 2 2 292.383 -0.124 20 0 CBADLP O=C(NC[C@H]1CC[N@H+](CCO)C1)[C@H]1CCc2[nH+]ccn2C1 ZINC001028642275 884615583 /nfs/dbraw/zinc/61/55/83/884615583.db2.gz RPUCUYXPGOSSLW-OLZOCXBDSA-N 2 2 292.383 -0.124 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1CC[N@@H+](CCCF)C[C@H]1O ZINC001090601644 884646731 /nfs/dbraw/zinc/64/67/31/884646731.db2.gz UZMASVABLLGYMQ-NWDGAFQWSA-N 2 2 284.335 -0.137 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1CC[N@H+](CCCF)C[C@H]1O ZINC001090601644 884646735 /nfs/dbraw/zinc/64/67/35/884646735.db2.gz UZMASVABLLGYMQ-NWDGAFQWSA-N 2 2 284.335 -0.137 20 0 CBADLP CNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001175881690 884697127 /nfs/dbraw/zinc/69/71/27/884697127.db2.gz UFRWCGRLFYNNBT-LLVKDONJSA-N 2 2 295.387 -0.037 20 0 CBADLP CNC(=O)C[NH2+][C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001210305018 884761853 /nfs/dbraw/zinc/76/18/53/884761853.db2.gz RRDGKVLKOXOSLW-JTQLQIEISA-N 2 2 279.344 -0.721 20 0 CBADLP O=C(NC1CC[NH+](C2CC[NH2+]CC2)CC1)[C@@H]1COCC[NH2+]1 ZINC001219796278 884791896 /nfs/dbraw/zinc/79/18/96/884791896.db2.gz UJZOOELYHHSYOA-AWEZNQCLSA-N 3 2 296.415 -0.693 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)C[C@H](O)C[NH2+]CCF ZINC001278817064 884822556 /nfs/dbraw/zinc/82/25/56/884822556.db2.gz MHAPOGUCASWEIS-ZYHUDNBSSA-N 2 2 286.351 -0.033 20 0 CBADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)C[C@H](O)C[NH2+]CCF ZINC001278817064 884822560 /nfs/dbraw/zinc/82/25/60/884822560.db2.gz MHAPOGUCASWEIS-ZYHUDNBSSA-N 2 2 286.351 -0.033 20 0 CBADLP CC[NH2+]CCN(CCO)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001326044789 884886652 /nfs/dbraw/zinc/88/66/52/884886652.db2.gz IAQQLGBVJMZFSE-GFCCVEGCSA-N 2 2 280.372 -0.124 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)CCCCC[NH3+] ZINC001326274580 884966498 /nfs/dbraw/zinc/96/64/98/884966498.db2.gz DEFHQYMGEGFKFZ-NSHDSACASA-N 2 2 271.361 -0.131 20 0 CBADLP C[C@@]1(C(=O)N[C@H]2CCC[N@H+](CC(N)=O)C2)CC[NH2+]C1 ZINC001326372057 885008118 /nfs/dbraw/zinc/00/81/18/885008118.db2.gz XFIZCPWCXYOIEL-GXFFZTMASA-N 2 2 268.361 -0.948 20 0 CBADLP C[C@@]1(C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)C2)CC[NH2+]C1 ZINC001326372057 885008130 /nfs/dbraw/zinc/00/81/30/885008130.db2.gz XFIZCPWCXYOIEL-GXFFZTMASA-N 2 2 268.361 -0.948 20 0 CBADLP CC(C)[C@H]([NH3+])C(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001326368568 885009183 /nfs/dbraw/zinc/00/91/83/885009183.db2.gz DIYWCOUGILXWPC-ONGXEEELSA-N 2 2 256.350 -0.964 20 0 CBADLP CC(C)[C@H]([NH3+])C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001326368568 885009194 /nfs/dbraw/zinc/00/91/94/885009194.db2.gz DIYWCOUGILXWPC-ONGXEEELSA-N 2 2 256.350 -0.964 20 0 CBADLP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)CC[N@@H+]1C ZINC001326599741 885081023 /nfs/dbraw/zinc/08/10/23/885081023.db2.gz PUCPHEPOUGCBGZ-ILXRZTDVSA-N 3 2 284.448 -0.333 20 0 CBADLP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)CC[N@H+]1C ZINC001326599741 885081041 /nfs/dbraw/zinc/08/10/41/885081041.db2.gz PUCPHEPOUGCBGZ-ILXRZTDVSA-N 3 2 284.448 -0.333 20 0 CBADLP COCCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001326667597 885106655 /nfs/dbraw/zinc/10/66/55/885106655.db2.gz NPGBZKOKWCKMJQ-ZIAGYGMSSA-N 2 2 299.415 -0.208 20 0 CBADLP COCCC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001326667597 885106663 /nfs/dbraw/zinc/10/66/63/885106663.db2.gz NPGBZKOKWCKMJQ-ZIAGYGMSSA-N 2 2 299.415 -0.208 20 0 CBADLP COCCC[NH+]1CCOC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001326667597 885106678 /nfs/dbraw/zinc/10/66/78/885106678.db2.gz NPGBZKOKWCKMJQ-ZIAGYGMSSA-N 2 2 299.415 -0.208 20 0 CBADLP COCCC[NH+]1CCOC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001326667597 885106690 /nfs/dbraw/zinc/10/66/90/885106690.db2.gz NPGBZKOKWCKMJQ-ZIAGYGMSSA-N 2 2 299.415 -0.208 20 0 CBADLP COCCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001326667594 885106989 /nfs/dbraw/zinc/10/69/89/885106989.db2.gz NPGBZKOKWCKMJQ-KGLIPLIRSA-N 2 2 299.415 -0.208 20 0 CBADLP COCCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001326667594 885107002 /nfs/dbraw/zinc/10/70/02/885107002.db2.gz NPGBZKOKWCKMJQ-KGLIPLIRSA-N 2 2 299.415 -0.208 20 0 CBADLP COCCC[NH+]1CCOC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001326667594 885107012 /nfs/dbraw/zinc/10/70/12/885107012.db2.gz NPGBZKOKWCKMJQ-KGLIPLIRSA-N 2 2 299.415 -0.208 20 0 CBADLP COCCC[NH+]1CCOC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001326667594 885107024 /nfs/dbraw/zinc/10/70/24/885107024.db2.gz NPGBZKOKWCKMJQ-KGLIPLIRSA-N 2 2 299.415 -0.208 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@]1(C)CC[N@H+](CC(N)=O)C1 ZINC001446568366 912904850 /nfs/dbraw/zinc/90/48/50/912904850.db2.gz WAHRSHACHOPTBQ-CYBMUJFWSA-N 2 2 279.344 -0.743 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@]1(C)CC[N@@H+](CC(N)=O)C1 ZINC001446568366 912904862 /nfs/dbraw/zinc/90/48/62/912904862.db2.gz WAHRSHACHOPTBQ-CYBMUJFWSA-N 2 2 279.344 -0.743 20 0 CBADLP C[NH2+]C1CCN(C(=O)[C@@H](C)[NH+]2CCN(C)CC2)CC1 ZINC001327087057 885254884 /nfs/dbraw/zinc/25/48/84/885254884.db2.gz LCTNKJLELCTHJJ-GFCCVEGCSA-N 2 2 268.405 -0.167 20 0 CBADLP O=C1NCC[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001327628811 885434713 /nfs/dbraw/zinc/43/47/13/885434713.db2.gz HOIPAQLIAUBNJQ-NEPJUHHUSA-N 2 2 253.346 -0.282 20 0 CBADLP CN(C)C(=O)C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001327679937 885449771 /nfs/dbraw/zinc/44/97/71/885449771.db2.gz KJWZIUNZPHAEQD-GFCCVEGCSA-N 2 2 255.362 -0.083 20 0 CBADLP CCN1C(=O)[C@H]2C[N@H+](C[C@@H]3CCC[NH2+]C3)CCN2C1=O ZINC001327863168 885504973 /nfs/dbraw/zinc/50/49/73/885504973.db2.gz DYHXVSJECRBEQG-VXGBXAGGSA-N 2 2 280.372 -0.046 20 0 CBADLP CCN1C(=O)[C@H]2C[N@@H+](C[C@@H]3CCC[NH2+]C3)CCN2C1=O ZINC001327863168 885504986 /nfs/dbraw/zinc/50/49/86/885504986.db2.gz DYHXVSJECRBEQG-VXGBXAGGSA-N 2 2 280.372 -0.046 20 0 CBADLP CCN1C(=O)[C@@H]2C[N@H+](C[C@@H]3CCC[NH2+]C3)CCN2C1=O ZINC001327863158 885505209 /nfs/dbraw/zinc/50/52/09/885505209.db2.gz DYHXVSJECRBEQG-NEPJUHHUSA-N 2 2 280.372 -0.046 20 0 CBADLP CCN1C(=O)[C@@H]2C[N@@H+](C[C@@H]3CCC[NH2+]C3)CCN2C1=O ZINC001327863158 885505221 /nfs/dbraw/zinc/50/52/21/885505221.db2.gz DYHXVSJECRBEQG-NEPJUHHUSA-N 2 2 280.372 -0.046 20 0 CBADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1[NH2+]CCCO ZINC001327940439 885535798 /nfs/dbraw/zinc/53/57/98/885535798.db2.gz NCQVXBNPEIUJAC-YPMHNXCESA-N 2 2 280.372 -0.219 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@]1(O)CC[N@@H+](C[C@H](C)O)C1 ZINC001446800044 912954244 /nfs/dbraw/zinc/95/42/44/912954244.db2.gz QGXYIFWARHRMMB-IINYFYTJSA-N 2 2 296.371 -0.806 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@]1(O)CC[N@H+](C[C@H](C)O)C1 ZINC001446800044 912954256 /nfs/dbraw/zinc/95/42/56/912954256.db2.gz QGXYIFWARHRMMB-IINYFYTJSA-N 2 2 296.371 -0.806 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@]1(O)CC[N@@H+](C[C@@H](C)O)C1 ZINC001446800046 912954590 /nfs/dbraw/zinc/95/45/90/912954590.db2.gz QGXYIFWARHRMMB-YGRLFVJLSA-N 2 2 296.371 -0.806 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@]1(O)CC[N@H+](C[C@@H](C)O)C1 ZINC001446800046 912954610 /nfs/dbraw/zinc/95/46/10/912954610.db2.gz QGXYIFWARHRMMB-YGRLFVJLSA-N 2 2 296.371 -0.806 20 0 CBADLP C[NH+](C)CC[C@H](N)C(=O)NCCCn1cc[nH+]c1 ZINC001328839337 885825883 /nfs/dbraw/zinc/82/58/83/885825883.db2.gz BJKNUEYSINWZQU-NSHDSACASA-N 2 2 253.350 -0.332 20 0 CBADLP C[C@@H](F)CC[NH+]1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001446909095 912977857 /nfs/dbraw/zinc/97/78/57/912977857.db2.gz DMPAZXJXNSGRQQ-NEPJUHHUSA-N 2 2 287.379 -0.151 20 0 CBADLP C[C@@H](F)CC[NH+]1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001446909095 912977871 /nfs/dbraw/zinc/97/78/71/912977871.db2.gz DMPAZXJXNSGRQQ-NEPJUHHUSA-N 2 2 287.379 -0.151 20 0 CBADLP O[C@@H]1COC[C@H]1[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001329115311 885936379 /nfs/dbraw/zinc/93/63/79/885936379.db2.gz VACBWHKBIVDHTH-JHJVBQTASA-N 2 2 256.346 -0.411 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)C[C@H]1CCC[NH2+]1 ZINC001329465275 886079184 /nfs/dbraw/zinc/07/91/84/886079184.db2.gz JFCUWAMZCIILAF-MNOVXSKESA-N 2 2 269.345 -0.508 20 0 CBADLP C[C@H](C(=O)NC[C@@H]1C[NH2+]CCCO1)n1cc[nH+]c1 ZINC001329567759 886123354 /nfs/dbraw/zinc/12/33/54/886123354.db2.gz AWKYAWRNPBKASZ-MNOVXSKESA-N 2 2 252.318 -0.061 20 0 CBADLP C[C@@H](C(=O)NCC[N@@H+]1CC[C@@H](O)C1)n1cc[nH+]c1 ZINC001329569997 886127945 /nfs/dbraw/zinc/12/79/45/886127945.db2.gz VNJFUCBSDFAELU-WDEREUQCSA-N 2 2 252.318 -0.373 20 0 CBADLP C[C@@H](C(=O)NCC[N@H+]1CC[C@@H](O)C1)n1cc[nH+]c1 ZINC001329569997 886127956 /nfs/dbraw/zinc/12/79/56/886127956.db2.gz VNJFUCBSDFAELU-WDEREUQCSA-N 2 2 252.318 -0.373 20 0 CBADLP C[C@H]([NH2+]CC[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1)C(N)=O ZINC001447093642 913020396 /nfs/dbraw/zinc/02/03/96/913020396.db2.gz WAMCPSNHGBEHBX-QWRGUYRKSA-N 2 2 293.371 -0.346 20 0 CBADLP C([NH+]1CCN([C@H]2CC[NH2+]C2)CC1)[C@@]12C[C@@H]1C[NH2+]C2 ZINC001329977456 886309062 /nfs/dbraw/zinc/30/90/62/886309062.db2.gz UKKOBYFLFJGBOZ-RDBSUJKOSA-N 3 2 250.390 -0.425 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]CCC[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001330946702 886633921 /nfs/dbraw/zinc/63/39/21/886633921.db2.gz MJLBMULHKMBZCQ-MNOVXSKESA-N 2 2 295.387 -0.039 20 0 CBADLP CN(CCC[N@H+](C)[C@@H]1CCNC1=O)C(=O)Cn1cc[nH+]c1 ZINC001447378934 913069644 /nfs/dbraw/zinc/06/96/44/913069644.db2.gz YNAOLHYUIDRHPN-GFCCVEGCSA-N 2 2 293.371 -0.448 20 0 CBADLP CN(CCC[N@@H+](C)[C@@H]1CCNC1=O)C(=O)Cn1cc[nH+]c1 ZINC001447378934 913069658 /nfs/dbraw/zinc/06/96/58/913069658.db2.gz YNAOLHYUIDRHPN-GFCCVEGCSA-N 2 2 293.371 -0.448 20 0 CBADLP CCC[N@H+](C)CC(=O)N[C@H]1COC2(C[NH+](C[C@H](C)O)C2)C1 ZINC001447420312 913077888 /nfs/dbraw/zinc/07/78/88/913077888.db2.gz VJUIITBMPJIBOK-QWHCGFSZSA-N 2 2 299.415 -0.332 20 0 CBADLP CCC[N@@H+](C)CC(=O)N[C@H]1COC2(C[NH+](C[C@H](C)O)C2)C1 ZINC001447420312 913077910 /nfs/dbraw/zinc/07/79/10/913077910.db2.gz VJUIITBMPJIBOK-QWHCGFSZSA-N 2 2 299.415 -0.332 20 0 CBADLP C[NH2+]CCOCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001331466131 886814721 /nfs/dbraw/zinc/81/47/21/886814721.db2.gz LAEIXRXPSPZBTG-LLVKDONJSA-N 2 2 266.345 -0.202 20 0 CBADLP Cn1c[nH+]cc1CC[NH+]1CCC2(CC1)NC(=O)N(C)C2=O ZINC001331759351 886962606 /nfs/dbraw/zinc/96/26/06/886962606.db2.gz NMLYJRCWTGFYCA-UHFFFAOYSA-N 2 2 291.355 -0.021 20 0 CBADLP C[N@@H+]1CCN(CC[NH+]2C[C@H]3CC[C@@H](C2)O3)[C@@H](CO)C1 ZINC001331789873 886980687 /nfs/dbraw/zinc/98/06/87/886980687.db2.gz BFNCVDNJNBFEOU-MCIONIFRSA-N 2 2 269.389 -0.542 20 0 CBADLP C[N@H+]1CCN(CC[NH+]2C[C@H]3CC[C@@H](C2)O3)[C@@H](CO)C1 ZINC001331789873 886980695 /nfs/dbraw/zinc/98/06/95/886980695.db2.gz BFNCVDNJNBFEOU-MCIONIFRSA-N 2 2 269.389 -0.542 20 0 CBADLP C[NH+]1CCN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)[C@@H](CO)C1 ZINC001331789873 886980705 /nfs/dbraw/zinc/98/07/05/886980705.db2.gz BFNCVDNJNBFEOU-MCIONIFRSA-N 2 2 269.389 -0.542 20 0 CBADLP C[NH+]1CCN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)[C@@H](CO)C1 ZINC001331789873 886980715 /nfs/dbraw/zinc/98/07/15/886980715.db2.gz BFNCVDNJNBFEOU-MCIONIFRSA-N 2 2 269.389 -0.542 20 0 CBADLP COC(=O)[C@H]([NH3+])Cc1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC001331918338 887044580 /nfs/dbraw/zinc/04/45/80/887044580.db2.gz MYOWTENGCGVBPZ-WCBMZHEXSA-N 2 2 253.306 -0.927 20 0 CBADLP C[C@H]([NH3+])CCNC(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC001331951424 887058669 /nfs/dbraw/zinc/05/86/69/887058669.db2.gz ZIUZZKCTTOHOJP-VHSXEESVSA-N 2 2 279.344 -0.832 20 0 CBADLP C[N@@H+](CC(N)=O)C[C@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1C ZINC001447763543 913118135 /nfs/dbraw/zinc/11/81/35/913118135.db2.gz RKNNXSUSQKACTK-CHWSQXEVSA-N 2 2 296.415 -0.121 20 0 CBADLP C[N@H+](CC(N)=O)C[C@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1C ZINC001447763543 913118144 /nfs/dbraw/zinc/11/81/44/913118144.db2.gz RKNNXSUSQKACTK-CHWSQXEVSA-N 2 2 296.415 -0.121 20 0 CBADLP C[NH+](CC(N)=O)C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1C ZINC001447763543 913118153 /nfs/dbraw/zinc/11/81/53/913118153.db2.gz RKNNXSUSQKACTK-CHWSQXEVSA-N 2 2 296.415 -0.121 20 0 CBADLP C[NH+](CC(N)=O)C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1C ZINC001447763543 913118163 /nfs/dbraw/zinc/11/81/63/913118163.db2.gz RKNNXSUSQKACTK-CHWSQXEVSA-N 2 2 296.415 -0.121 20 0 CBADLP C[C@@H]([NH2+]CC(N)=O)[C@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001447882340 913153508 /nfs/dbraw/zinc/15/35/08/913153508.db2.gz KBGOMQYYJCSFQF-ZJUUUORDSA-N 2 2 281.360 -0.679 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC001332960154 887489707 /nfs/dbraw/zinc/48/97/07/887489707.db2.gz FMRRRUVDBNFSEE-KWQFWETISA-N 2 2 252.318 -0.165 20 0 CBADLP C[NH+]1CCC(CCO)(NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001333110587 887530658 /nfs/dbraw/zinc/53/06/58/887530658.db2.gz KORWNYQUWZYHBV-UHFFFAOYSA-N 2 2 266.345 -0.085 20 0 CBADLP COC(=O)[C@H]([NH3+])Cc1cn(CC2CC[NH2+]CC2)nn1 ZINC001333125855 887538158 /nfs/dbraw/zinc/53/81/58/887538158.db2.gz QOGAIEYTGHEYIQ-LLVKDONJSA-N 2 2 267.333 -0.680 20 0 CBADLP CN(C(=O)Cn1cc[nH+]c1)C1CC([NH2+]CCCO)C1 ZINC001333151179 887544021 /nfs/dbraw/zinc/54/40/21/887544021.db2.gz ONGCNDDPKBBHDA-UHFFFAOYSA-N 2 2 266.345 -0.156 20 0 CBADLP CCNC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001447929300 913168834 /nfs/dbraw/zinc/16/88/34/913168834.db2.gz LUMFGLBDHCLECH-MNOVXSKESA-N 2 2 295.387 -0.419 20 0 CBADLP O=C1CC2(CN1)CC[NH+](C[C@@H]1C[NH2+]CCO1)CC2 ZINC001333623381 887720097 /nfs/dbraw/zinc/72/00/97/887720097.db2.gz YILZQFXAJJCUTQ-NSHDSACASA-N 2 2 253.346 -0.423 20 0 CBADLP O=C(NCCn1cc[nH+]c1)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC001333908753 887807348 /nfs/dbraw/zinc/80/73/48/887807348.db2.gz ISGKXCIVZOHACS-NWDGAFQWSA-N 2 2 291.355 -0.648 20 0 CBADLP O=C1NCC2(CCOCC2)[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC001334355845 887933995 /nfs/dbraw/zinc/93/39/95/887933995.db2.gz QRVIDRKAYQEYTE-LLVKDONJSA-N 2 2 264.329 -0.232 20 0 CBADLP CNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001448057671 913200149 /nfs/dbraw/zinc/20/01/49/913200149.db2.gz GEGHXESDSGDNLU-NWDGAFQWSA-N 2 2 284.404 -0.347 20 0 CBADLP CNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001448057671 913200159 /nfs/dbraw/zinc/20/01/59/913200159.db2.gz GEGHXESDSGDNLU-NWDGAFQWSA-N 2 2 284.404 -0.347 20 0 CBADLP CNC(=O)C[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001448057671 913200176 /nfs/dbraw/zinc/20/01/76/913200176.db2.gz GEGHXESDSGDNLU-NWDGAFQWSA-N 2 2 284.404 -0.347 20 0 CBADLP CNC(=O)C[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001448057671 913200194 /nfs/dbraw/zinc/20/01/94/913200194.db2.gz GEGHXESDSGDNLU-NWDGAFQWSA-N 2 2 284.404 -0.347 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C)[N@@H+](C)Cc1cnnn1C ZINC001448071433 913209726 /nfs/dbraw/zinc/20/97/26/913209726.db2.gz XFCCQEDVWSCLON-WCQYABFASA-N 2 2 294.403 -0.154 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH+](C)Cc1cnnn1C ZINC001448071433 913209680 /nfs/dbraw/zinc/20/96/80/913209680.db2.gz XFCCQEDVWSCLON-WCQYABFASA-N 2 2 294.403 -0.154 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH+](C)Cc1cnnn1C ZINC001448071433 913209696 /nfs/dbraw/zinc/20/96/96/913209696.db2.gz XFCCQEDVWSCLON-WCQYABFASA-N 2 2 294.403 -0.154 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C)[N@H+](C)Cc1cnnn1C ZINC001448071433 913209711 /nfs/dbraw/zinc/20/97/11/913209711.db2.gz XFCCQEDVWSCLON-WCQYABFASA-N 2 2 294.403 -0.154 20 0 CBADLP O[C@H](C[NH2+]CCCn1cc[nH+]c1)C[C@]1(O)CCOC1 ZINC001334680687 888286094 /nfs/dbraw/zinc/28/60/94/888286094.db2.gz IUCRVIXDSLOJKS-QWHCGFSZSA-N 2 2 269.345 -0.235 20 0 CBADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)CC(N)=O ZINC001448139946 913237098 /nfs/dbraw/zinc/23/70/98/913237098.db2.gz BCPJGSQXYIQWJZ-VXGBXAGGSA-N 2 2 284.404 -0.217 20 0 CBADLP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)CC(N)=O ZINC001448139946 913237114 /nfs/dbraw/zinc/23/71/14/913237114.db2.gz BCPJGSQXYIQWJZ-VXGBXAGGSA-N 2 2 284.404 -0.217 20 0 CBADLP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[N@H+](C)CC(N)=O ZINC001448139946 913237132 /nfs/dbraw/zinc/23/71/32/913237132.db2.gz BCPJGSQXYIQWJZ-VXGBXAGGSA-N 2 2 284.404 -0.217 20 0 CBADLP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+](C)CC(N)=O ZINC001448139946 913237144 /nfs/dbraw/zinc/23/71/44/913237144.db2.gz BCPJGSQXYIQWJZ-VXGBXAGGSA-N 2 2 284.404 -0.217 20 0 CBADLP [NH3+]CC[C@H]1CCN(C(=O)C(=O)N2CCn3c[nH+]cc3C2)C1 ZINC001335281293 888481163 /nfs/dbraw/zinc/48/11/63/888481163.db2.gz MFZJUUQEDMVISZ-NSHDSACASA-N 2 2 291.355 -0.577 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NC1(CCO)C[NH+](C[C@@H](C)O)C1 ZINC001448178198 913249072 /nfs/dbraw/zinc/24/90/72/913249072.db2.gz MSRWJWUUBFKPST-GFCCVEGCSA-N 2 2 296.371 -0.875 20 0 CBADLP O[C@@H](C[NH2+]CCn1cc[nH+]c1)C[C@]1(O)CCOC1 ZINC001335304549 888493818 /nfs/dbraw/zinc/49/38/18/888493818.db2.gz SUTGJYXFWCUIET-VXGBXAGGSA-N 2 2 255.318 -0.625 20 0 CBADLP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CCCCNC1=O)C1CC1 ZINC001335350389 888512041 /nfs/dbraw/zinc/51/20/41/888512041.db2.gz DVOBEXWDUQDJLN-VXGBXAGGSA-N 2 2 255.362 -0.300 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CCCCNC1=O)C1CC1 ZINC001335350389 888512047 /nfs/dbraw/zinc/51/20/47/888512047.db2.gz DVOBEXWDUQDJLN-VXGBXAGGSA-N 2 2 255.362 -0.300 20 0 CBADLP COCC[NH+]1CC(CCO)(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001448200109 913252819 /nfs/dbraw/zinc/25/28/19/913252819.db2.gz FRKMZNZNZRSJAT-LBPRGKRZSA-N 2 2 285.388 -0.863 20 0 CBADLP COCC[NH+]1CC(CCO)(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001448200109 913252834 /nfs/dbraw/zinc/25/28/34/913252834.db2.gz FRKMZNZNZRSJAT-LBPRGKRZSA-N 2 2 285.388 -0.863 20 0 CBADLP C[NH+](C)C[C@](C)(O)C[NH2+]C[C@H](O)C1(O)CCCC1 ZINC001335461253 888537737 /nfs/dbraw/zinc/53/77/37/888537737.db2.gz VEHKETAOFRCAAI-NWDGAFQWSA-N 2 2 260.378 -0.445 20 0 CBADLP [NH3+][C@H]1CCN(C(=O)NCC[NH+]2CCC([NH3+])CC2)C1 ZINC001335646164 888591857 /nfs/dbraw/zinc/59/18/57/888591857.db2.gz MNCRHKWGFZETET-NSHDSACASA-N 3 2 255.366 -0.848 20 0 CBADLP CCC[NH+]1CC(CCO)(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001448204122 913259852 /nfs/dbraw/zinc/25/98/52/913259852.db2.gz TVDIRAPMNHEOFQ-UHFFFAOYSA-N 2 2 299.415 -0.328 20 0 CBADLP C[C@H](CC[NH3+])NC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001336124292 888700112 /nfs/dbraw/zinc/70/01/12/888700112.db2.gz KTQBBFMVWQFEPK-SNVBAGLBSA-N 3 2 257.382 -0.554 20 0 CBADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@@H](C)C[NH3+] ZINC001336133976 888701825 /nfs/dbraw/zinc/70/18/25/888701825.db2.gz QIFPWZIKQKGXHB-QWRGUYRKSA-N 2 2 258.366 -0.256 20 0 CBADLP CC[C@H]1C(=O)NCCC[N@H+]1CC(=O)N1CC[NH2+]CC1 ZINC001336277674 888734826 /nfs/dbraw/zinc/73/48/26/888734826.db2.gz SXDLCZAIHUOXTO-NSHDSACASA-N 2 2 268.361 -0.981 20 0 CBADLP CC[C@H]1C(=O)NCCC[N@@H+]1CC(=O)N1CC[NH2+]CC1 ZINC001336277674 888734831 /nfs/dbraw/zinc/73/48/31/888734831.db2.gz SXDLCZAIHUOXTO-NSHDSACASA-N 2 2 268.361 -0.981 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC001336732773 888859501 /nfs/dbraw/zinc/85/95/01/888859501.db2.gz SVHCDVUFNIRJOP-SNVBAGLBSA-N 2 2 252.318 -0.163 20 0 CBADLP C[N@@H+]1CCN(C(=O)C(=O)N2CC[NH2+]C(C)(C)C2)CC1(C)C ZINC001336947733 888931561 /nfs/dbraw/zinc/93/15/61/888931561.db2.gz MPNLEWTXEPSSJJ-UHFFFAOYSA-N 2 2 296.415 -0.251 20 0 CBADLP C[N@H+]1CCN(C(=O)C(=O)N2CC[NH2+]C(C)(C)C2)CC1(C)C ZINC001336947733 888931569 /nfs/dbraw/zinc/93/15/69/888931569.db2.gz MPNLEWTXEPSSJJ-UHFFFAOYSA-N 2 2 296.415 -0.251 20 0 CBADLP C[C@@H]([NH2+]CCO)[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CCO1 ZINC001448459936 913301217 /nfs/dbraw/zinc/30/12/17/913301217.db2.gz GDGLAIGPBHHDAB-YPMHNXCESA-N 2 2 296.371 -0.460 20 0 CBADLP C[C@@H]([NH2+]CCO)[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CCO1 ZINC001448459936 913301233 /nfs/dbraw/zinc/30/12/33/913301233.db2.gz GDGLAIGPBHHDAB-YPMHNXCESA-N 2 2 296.371 -0.460 20 0 CBADLP O=C1NC(=O)[C@]2(CCC[N@H+](CCn3cc[nH+]c3)C2)N1 ZINC001339474263 889279341 /nfs/dbraw/zinc/27/93/41/889279341.db2.gz HQRKFTCPTFIFPB-GFCCVEGCSA-N 2 2 263.301 -0.443 20 0 CBADLP O=C1NC(=O)[C@]2(CCC[N@@H+](CCn3cc[nH+]c3)C2)N1 ZINC001339474263 889279353 /nfs/dbraw/zinc/27/93/53/889279353.db2.gz HQRKFTCPTFIFPB-GFCCVEGCSA-N 2 2 263.301 -0.443 20 0 CBADLP C[C@H](CNC(=O)[C@]1(C)C[C@H](O)C[NH2+]1)Cn1cc[nH+]c1 ZINC001340185142 889404616 /nfs/dbraw/zinc/40/46/16/889404616.db2.gz RRMQQXPUDZCIMS-MDZLAQPJSA-N 2 2 266.345 -0.252 20 0 CBADLP C[NH2+]C[C@H](O)[C@@H](C)C(=O)NCCCCn1cc[nH+]c1 ZINC001340183678 889404998 /nfs/dbraw/zinc/40/49/98/889404998.db2.gz KKQBMQXWYKYJMZ-NEPJUHHUSA-N 2 2 268.361 -0.004 20 0 CBADLP O=C(NCCn1cc[nH+]c1)[C@H]1[NH2+]CC12CCOCC2 ZINC001340531491 889442048 /nfs/dbraw/zinc/44/20/48/889442048.db2.gz UXZUYAFQLHZPIP-LLVKDONJSA-N 2 2 264.329 -0.232 20 0 CBADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1COCC[NH2+]1 ZINC001340710752 889470991 /nfs/dbraw/zinc/47/09/91/889470991.db2.gz UAQUUPCEZNMFJM-GMTAPVOTSA-N 2 2 264.329 -0.372 20 0 CBADLP C[NH2+]C[C@H](O)CN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001340748298 889479642 /nfs/dbraw/zinc/47/96/42/889479642.db2.gz OLKDHPDXPKIVOQ-NSHDSACASA-N 2 2 268.361 -0.035 20 0 CBADLP CN(CCOCC[NH3+])C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001340841521 889495559 /nfs/dbraw/zinc/49/55/59/889495559.db2.gz DGDHXTMWOWRPOS-NSHDSACASA-N 2 2 266.345 -0.121 20 0 CBADLP O=C(N1CC[NH+](CCO)CC1)C12CCC(CC1)[NH2+]2 ZINC001340926968 889515704 /nfs/dbraw/zinc/51/57/04/889515704.db2.gz BHILCYGLNGDZCR-UHFFFAOYSA-N 2 2 253.346 -0.593 20 0 CBADLP CC[C@]1(C(=O)NCC[NH+]2CCC([NH3+])CC2)CCNC1=O ZINC001341056905 889537457 /nfs/dbraw/zinc/53/74/57/889537457.db2.gz OOEKZHWTPDFVGN-AWEZNQCLSA-N 2 2 282.388 -0.558 20 0 CBADLP C[NH2+]C1CC(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC001341366047 889583875 /nfs/dbraw/zinc/58/38/75/889583875.db2.gz FBNXNKAWGNNWHT-WXRRBKDZSA-N 2 2 267.373 -0.083 20 0 CBADLP C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH2+]CC(N)=O ZINC001448732599 913363959 /nfs/dbraw/zinc/36/39/59/913363959.db2.gz YBBDOLSURJMSPG-HBNTYKKESA-N 2 2 293.371 -0.555 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@]23CC[C@H]2C[NH2+]C3)CC1 ZINC001341538824 889618437 /nfs/dbraw/zinc/61/84/37/889618437.db2.gz ITCQUEDCVHYVMX-JSGCOSHPSA-N 2 2 267.373 -0.223 20 0 CBADLP C[C@H](CNC(=O)[C@@H]([NH3+])C(C)(C)O)Cn1cc[nH+]c1 ZINC001341571590 889623250 /nfs/dbraw/zinc/62/32/50/889623250.db2.gz SBRORSGVFQJUHD-NXEZZACHSA-N 2 2 254.334 -0.266 20 0 CBADLP CN1CC[NH2+]C[C@H]1C(=O)NCCCNc1cccc[nH+]1 ZINC001341555801 889624055 /nfs/dbraw/zinc/62/40/55/889624055.db2.gz NUCPNSSNNURHJU-LBPRGKRZSA-N 2 2 277.372 -0.097 20 0 CBADLP C[NH2+][C@@H](CC(C)C)C(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC001341940111 889687149 /nfs/dbraw/zinc/68/71/49/889687149.db2.gz CNGKUJWLUNRBGP-NEPJUHHUSA-N 2 2 257.378 -0.245 20 0 CBADLP C[NH2+][C@@H](CC(C)C)C(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC001341940111 889687155 /nfs/dbraw/zinc/68/71/55/889687155.db2.gz CNGKUJWLUNRBGP-NEPJUHHUSA-N 2 2 257.378 -0.245 20 0 CBADLP [NH3+]C[C@H]1C[C@H](NC(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC001342212655 889732365 /nfs/dbraw/zinc/73/23/65/889732365.db2.gz KSLVRRJSLUZJOR-LEANHWHLSA-N 2 2 253.346 -0.272 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC001342283725 889748054 /nfs/dbraw/zinc/74/80/54/889748054.db2.gz FPCCDZXPIKTUHP-SNVBAGLBSA-N 2 2 264.329 -0.211 20 0 CBADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC001342283725 889748068 /nfs/dbraw/zinc/74/80/68/889748068.db2.gz FPCCDZXPIKTUHP-SNVBAGLBSA-N 2 2 264.329 -0.211 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)[C@@H](O)C2CCC2)CC1 ZINC001342461661 889780300 /nfs/dbraw/zinc/78/03/00/889780300.db2.gz LWBZYOLNBVSMTF-LBPRGKRZSA-N 2 2 255.362 -0.313 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)[C@H]2CCC(=O)O2)CC1 ZINC001342461529 889782224 /nfs/dbraw/zinc/78/22/24/889782224.db2.gz ITSHEABLYJRESX-SNVBAGLBSA-N 2 2 255.318 -0.769 20 0 CBADLP CC(C)NC(=O)C[NH2+][C@H](C)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001448794107 913383629 /nfs/dbraw/zinc/38/36/29/913383629.db2.gz LLBVZEFPBOWNHS-GFCCVEGCSA-N 2 2 295.387 -0.156 20 0 CBADLP O=C(C[C@@]1(O)CCC[NH2+]C1)NCCc1[nH]cc[nH+]1 ZINC001343433275 889910421 /nfs/dbraw/zinc/91/04/21/889910421.db2.gz VNXPEVVQDJXOCB-LBPRGKRZSA-N 2 2 252.318 -0.427 20 0 CBADLP [NH3+]C[C@@H]1CN(C(=O)C[C@H]([NH3+])C(F)F)CCCO1 ZINC001343670617 889943635 /nfs/dbraw/zinc/94/36/35/889943635.db2.gz BUDBVRJYFDGUSC-SFYZADRCSA-N 2 2 251.277 -0.455 20 0 CBADLP C[C@@H](C(=O)N1NC(=O)C[C@@]12CC[NH2+]C2)n1cc[nH+]c1 ZINC001344437896 890025810 /nfs/dbraw/zinc/02/58/10/890025810.db2.gz QFKCUPCWROUAOZ-JOYOIKCWSA-N 2 2 263.301 -0.560 20 0 CBADLP C[C@H](C(=O)N1NC(=O)C[C@@]12CC[NH2+]C2)n1cc[nH+]c1 ZINC001344437890 890026551 /nfs/dbraw/zinc/02/65/51/890026551.db2.gz QFKCUPCWROUAOZ-BXKDBHETSA-N 2 2 263.301 -0.560 20 0 CBADLP C[C@H](C(=O)NC[C@@H]1CC[C@H]([NH3+])C1)N1CC[NH2+]CC1=O ZINC001345152185 890104805 /nfs/dbraw/zinc/10/48/05/890104805.db2.gz AXGXCQRUFXBFJY-MXWKQRLJSA-N 2 2 268.361 -0.950 20 0 CBADLP COC(=O)[C@H]([NH3+])Cc1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC001346588858 890326749 /nfs/dbraw/zinc/32/67/49/890326749.db2.gz QFFCENUVJLGQGU-NXEZZACHSA-N 2 2 253.306 -0.755 20 0 CBADLP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)N1CC[N@H+](C)[C@H](C)C1 ZINC001346750587 890353134 /nfs/dbraw/zinc/35/31/34/890353134.db2.gz KTSVTBTTZVWTHX-UPJWGTAASA-N 2 2 266.389 -0.463 20 0 CBADLP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)N1CC[N@@H+](C)[C@H](C)C1 ZINC001346750587 890353152 /nfs/dbraw/zinc/35/31/52/890353152.db2.gz KTSVTBTTZVWTHX-UPJWGTAASA-N 2 2 266.389 -0.463 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CCN2C[C@H]3C)CC[NH+]1C ZINC001346750587 890353168 /nfs/dbraw/zinc/35/31/68/890353168.db2.gz KTSVTBTTZVWTHX-UPJWGTAASA-N 2 2 266.389 -0.463 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CCN2C[C@H]3C)CC[NH+]1C ZINC001346750587 890353184 /nfs/dbraw/zinc/35/31/84/890353184.db2.gz KTSVTBTTZVWTHX-UPJWGTAASA-N 2 2 266.389 -0.463 20 0 CBADLP C[NH+](C)CC1(C(=O)NC[C@H](CO)[NH2+]Cc2ccon2)CC1 ZINC001448891909 913442827 /nfs/dbraw/zinc/44/28/27/913442827.db2.gz FYIUBKFUXPCHMP-GFCCVEGCSA-N 2 2 296.371 -0.417 20 0 CBADLP [NH3+]C[C@H]1OCC[C@@H]1C(=O)NCCCn1cc[nH+]c1 ZINC001347157856 890418576 /nfs/dbraw/zinc/41/85/76/890418576.db2.gz WMESNOCPXVFURP-WDEREUQCSA-N 2 2 252.318 -0.247 20 0 CBADLP C[NH+](C)C[C@@]1(O)CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001347175755 890423787 /nfs/dbraw/zinc/42/37/87/890423787.db2.gz VLBJRXIFENEXKQ-ZDUSSCGKSA-N 2 2 266.345 -0.133 20 0 CBADLP C[NH+](C)C[C@@]1(O)CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001347175755 890423800 /nfs/dbraw/zinc/42/38/00/890423800.db2.gz VLBJRXIFENEXKQ-ZDUSSCGKSA-N 2 2 266.345 -0.133 20 0 CBADLP Cn1cc[nH+]c1CCNC(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001347745132 890506727 /nfs/dbraw/zinc/50/67/27/890506727.db2.gz JUIQCQOJMJWASS-ZWNOBZJWSA-N 2 2 266.345 -0.466 20 0 CBADLP Cn1cc[nH+]c1CCNC(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001347745132 890506733 /nfs/dbraw/zinc/50/67/33/890506733.db2.gz JUIQCQOJMJWASS-ZWNOBZJWSA-N 2 2 266.345 -0.466 20 0 CBADLP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCCn1cc[nH+]c1 ZINC001348515885 890639871 /nfs/dbraw/zinc/63/98/71/890639871.db2.gz AKOPXDRRAQQHEU-RYUDHWBXSA-N 2 2 263.345 -0.612 20 0 CBADLP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCCn1cc[nH+]c1 ZINC001348515885 890639882 /nfs/dbraw/zinc/63/98/82/890639882.db2.gz AKOPXDRRAQQHEU-RYUDHWBXSA-N 2 2 263.345 -0.612 20 0 CBADLP CNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cn2cc[nH+]c2)C1 ZINC001449025388 913482930 /nfs/dbraw/zinc/48/29/30/913482930.db2.gz UIAUVJMFQKPNDE-GHMZBOCLSA-N 2 2 279.344 -0.792 20 0 CBADLP CNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)Cn2cc[nH+]c2)C1 ZINC001449025403 913484385 /nfs/dbraw/zinc/48/43/85/913484385.db2.gz UIAUVJMFQKPNDE-WDEREUQCSA-N 2 2 279.344 -0.792 20 0 CBADLP C[C@@](C[NH3+])([NH2+]CCC(=O)N1CC[NH2+]CC1)C1CC1 ZINC001349388880 890806145 /nfs/dbraw/zinc/80/61/45/890806145.db2.gz GDZOMTMYXGFZLL-ZDUSSCGKSA-N 3 2 254.378 -0.475 20 0 CBADLP CC(C)(C(N)=O)[NH+]1CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC001349487218 890824435 /nfs/dbraw/zinc/82/44/35/890824435.db2.gz RCSGWQBSAMSZRP-NSHDSACASA-N 2 2 254.378 -0.523 20 0 CBADLP CC(C)[C@H](C(=O)NCCNC(=O)Cc1c[nH]c[nH+]1)[NH+](C)C ZINC001349558358 890838972 /nfs/dbraw/zinc/83/89/72/890838972.db2.gz QXDAVSJRVJQKLA-CYBMUJFWSA-N 2 2 295.387 -0.229 20 0 CBADLP C[C@H]([NH3+])CCNC(=O)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC001349804448 890895546 /nfs/dbraw/zinc/89/55/46/890895546.db2.gz YZWQQRRRPVXMQX-JTQLQIEISA-N 2 2 289.339 -0.196 20 0 CBADLP O=C(NC[C@H]1C[NH2+]CCO1)[C@H]1CCn2cc[nH+]c2C1 ZINC001351283418 891126789 /nfs/dbraw/zinc/12/67/89/891126789.db2.gz IZMUACVWGPMLTM-WDEREUQCSA-N 2 2 264.329 -0.450 20 0 CBADLP [NH3+]C[C@H]1CCCCN1C(=O)C(=O)N1CCn2c[nH+]cc2C1 ZINC001351985283 891210939 /nfs/dbraw/zinc/21/09/39/891210939.db2.gz QNYLCMGYOOLVCT-LLVKDONJSA-N 2 2 291.355 -0.435 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NCCCN1CC[NH2+]CC1 ZINC001353193748 891382541 /nfs/dbraw/zinc/38/25/41/891382541.db2.gz KUQNASLGLDTPGD-UHFFFAOYSA-N 2 2 251.334 -0.636 20 0 CBADLP CON(C)C(=O)CC[NH2+][C@@H](C)[C@H]1C[N@H+](C)CCN1C ZINC001353315361 891402529 /nfs/dbraw/zinc/40/25/29/891402529.db2.gz JXMRNUKHLLFVEX-NWDGAFQWSA-N 2 2 272.393 -0.380 20 0 CBADLP CON(C)C(=O)CC[NH2+][C@@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC001353315361 891402542 /nfs/dbraw/zinc/40/25/42/891402542.db2.gz JXMRNUKHLLFVEX-NWDGAFQWSA-N 2 2 272.393 -0.380 20 0 CBADLP [NH3+]C[C@@H]1CCN(C(=O)NCC[NH+]2CCC([NH3+])CC2)C1 ZINC001353468529 891430374 /nfs/dbraw/zinc/43/03/74/891430374.db2.gz XFTZGIZTKQSHMI-NSHDSACASA-N 3 2 269.393 -0.600 20 0 CBADLP [NH3+]C[C@H]1CCN(C(=O)NCC[NH+]2CCC([NH3+])CC2)C1 ZINC001353468528 891430754 /nfs/dbraw/zinc/43/07/54/891430754.db2.gz XFTZGIZTKQSHMI-LLVKDONJSA-N 3 2 269.393 -0.600 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)N2CC(CO)C2)CC1 ZINC001353467371 891431337 /nfs/dbraw/zinc/43/13/37/891431337.db2.gz MWIYBORDLGWXSE-UHFFFAOYSA-N 2 2 256.350 -0.957 20 0 CBADLP [NH3+][C@@H](CC(=O)NCCC[NH+]1CCC(O)CC1)C(F)F ZINC001353483417 891433058 /nfs/dbraw/zinc/43/30/58/891433058.db2.gz VUNTUQHZNRSXEW-JTQLQIEISA-N 2 2 279.331 -0.068 20 0 CBADLP CC(C)N(CC[N@H+](C)CC(N)=O)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001449264773 913558199 /nfs/dbraw/zinc/55/81/99/913558199.db2.gz DAQVFPUPIDJMAY-CYBMUJFWSA-N 2 2 298.431 -0.018 20 0 CBADLP CC(C)N(CC[N@@H+](C)CC(N)=O)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001449264773 913558208 /nfs/dbraw/zinc/55/82/08/913558208.db2.gz DAQVFPUPIDJMAY-CYBMUJFWSA-N 2 2 298.431 -0.018 20 0 CBADLP CC(C)N(CC[NH+](C)CC(N)=O)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001449264773 913558218 /nfs/dbraw/zinc/55/82/18/913558218.db2.gz DAQVFPUPIDJMAY-CYBMUJFWSA-N 2 2 298.431 -0.018 20 0 CBADLP [NH3+][C@H](CC(=O)NC[C@@H]1C[NH2+]CCCO1)C(F)F ZINC001353665669 891458130 /nfs/dbraw/zinc/45/81/30/891458130.db2.gz ISJLBHBGJUMOJH-JGVFFNPUSA-N 2 2 251.277 -0.536 20 0 CBADLP C[NH+](C)CC1(O)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001354091497 891510593 /nfs/dbraw/zinc/51/05/93/891510593.db2.gz AQFNZLBTKYNHIN-UHFFFAOYSA-N 2 2 266.345 -0.133 20 0 CBADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CC[C@@H]1CNC(=O)C1 ZINC001354232694 891541935 /nfs/dbraw/zinc/54/19/35/891541935.db2.gz BIFCAZGHIQKWNY-WOPDTQHZSA-N 2 2 255.362 -0.131 20 0 CBADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC[C@@H]1CNC(=O)C1 ZINC001354232689 891542438 /nfs/dbraw/zinc/54/24/38/891542438.db2.gz BIFCAZGHIQKWNY-GRYCIOLGSA-N 2 2 255.362 -0.131 20 0 CBADLP [NH3+][C@H](C(=O)NCC[NH+]1CCC([NH3+])CC1)C1CCC1 ZINC001354771181 891615014 /nfs/dbraw/zinc/61/50/14/891615014.db2.gz RCMZXYXLWCXOFE-LBPRGKRZSA-N 3 2 254.378 -0.347 20 0 CBADLP Cc1cc(C(=O)NCC[NH+]2CCC([NH3+])CC2)ncn1 ZINC001354770724 891616287 /nfs/dbraw/zinc/61/62/87/891616287.db2.gz CBSPIKQTDXZKOY-UHFFFAOYSA-N 2 2 263.345 -0.062 20 0 CBADLP C[C@H](C[NH2+]C[C@@H](O)C[NH+]1CCCC1)N1CC[NH+](C)CC1 ZINC001356585798 891781004 /nfs/dbraw/zinc/78/10/04/891781004.db2.gz VVAHRZCYLWPGBO-HUUCEWRRSA-N 3 2 284.448 -0.331 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC001357452205 891895038 /nfs/dbraw/zinc/89/50/38/891895038.db2.gz BHWQUMGHMOMLKQ-KOLCDFICSA-N 2 2 252.318 -0.226 20 0 CBADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC001357452205 891895054 /nfs/dbraw/zinc/89/50/54/891895054.db2.gz BHWQUMGHMOMLKQ-KOLCDFICSA-N 2 2 252.318 -0.226 20 0 CBADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC001357452204 891895131 /nfs/dbraw/zinc/89/51/31/891895131.db2.gz BHWQUMGHMOMLKQ-GXSJLCMTSA-N 2 2 252.318 -0.226 20 0 CBADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC001357452204 891895149 /nfs/dbraw/zinc/89/51/49/891895149.db2.gz BHWQUMGHMOMLKQ-GXSJLCMTSA-N 2 2 252.318 -0.226 20 0 CBADLP [NH3+]C[C@@H]1C[C@@H]1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001357847922 891940399 /nfs/dbraw/zinc/94/03/99/891940399.db2.gz VMERGBTXYOWFKQ-TUAOUCFPSA-N 2 2 253.346 -0.486 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CCN(CC[NH+](C)C)CC1 ZINC001361749451 892218047 /nfs/dbraw/zinc/21/80/47/892218047.db2.gz RRUCLXNINAISBD-UHFFFAOYSA-N 2 2 279.388 -0.332 20 0 CBADLP C[C@H](CC(N)=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001362269060 892552230 /nfs/dbraw/zinc/55/22/30/892552230.db2.gz KRIKFVYHQKGFEL-VXGBXAGGSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@H](CC(N)=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001362269060 892552252 /nfs/dbraw/zinc/55/22/52/892552252.db2.gz KRIKFVYHQKGFEL-VXGBXAGGSA-N 2 2 296.415 -0.217 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+]([C@@H]2CCOC2=O)CC1 ZINC001362272912 892557088 /nfs/dbraw/zinc/55/70/88/892557088.db2.gz VTVNJBSVRURWTO-QWHCGFSZSA-N 2 2 295.383 -0.023 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+]([C@@H]2CCOC2=O)CC1 ZINC001362272912 892557103 /nfs/dbraw/zinc/55/71/03/892557103.db2.gz VTVNJBSVRURWTO-QWHCGFSZSA-N 2 2 295.383 -0.023 20 0 CBADLP C[C@@H]1CN(C(=O)C[NH+](C)[C@@H]2CCC[C@H]2O)CC[N@@H+]1CCO ZINC001362700009 892941534 /nfs/dbraw/zinc/94/15/34/892941534.db2.gz AMOMILFMWOMBGI-MGPQQGTHSA-N 2 2 299.415 -0.643 20 0 CBADLP C[C@@H]1CN(C(=O)C[NH+](C)[C@@H]2CCC[C@H]2O)CC[N@H+]1CCO ZINC001362700009 892941549 /nfs/dbraw/zinc/94/15/49/892941549.db2.gz AMOMILFMWOMBGI-MGPQQGTHSA-N 2 2 299.415 -0.643 20 0 CBADLP C[C@@H]1CN(C(=O)C[N@H+](C)[C@@H]2CCC[C@H]2O)CC[NH+]1CCO ZINC001362700009 892941561 /nfs/dbraw/zinc/94/15/61/892941561.db2.gz AMOMILFMWOMBGI-MGPQQGTHSA-N 2 2 299.415 -0.643 20 0 CBADLP C[C@@H]1CN(C(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2O)CC[NH+]1CCO ZINC001362700009 892941574 /nfs/dbraw/zinc/94/15/74/892941574.db2.gz AMOMILFMWOMBGI-MGPQQGTHSA-N 2 2 299.415 -0.643 20 0 CBADLP O=C(CCCn1cc[nH+]c1)NC[C@@]1(CO)COCC[NH2+]1 ZINC001363171430 893425672 /nfs/dbraw/zinc/42/56/72/893425672.db2.gz HUYSYXCDZAVQJJ-CYBMUJFWSA-N 2 2 282.344 -0.870 20 0 CBADLP C[C@H](NC(=O)C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1)C(=O)N(C)C ZINC001363294989 893550763 /nfs/dbraw/zinc/55/07/63/893550763.db2.gz XYXQQUJLUOTBJZ-XQQFMLRXSA-N 2 2 296.415 -0.537 20 0 CBADLP C[C@H](NC(=O)C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1)C(=O)N(C)C ZINC001363294989 893550789 /nfs/dbraw/zinc/55/07/89/893550789.db2.gz XYXQQUJLUOTBJZ-XQQFMLRXSA-N 2 2 296.415 -0.537 20 0 CBADLP C[C@H](NC(=O)C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1)C(=O)N(C)C ZINC001363294989 893550804 /nfs/dbraw/zinc/55/08/04/893550804.db2.gz XYXQQUJLUOTBJZ-XQQFMLRXSA-N 2 2 296.415 -0.537 20 0 CBADLP C[C@H](NC(=O)C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1)C(=O)N(C)C ZINC001363294989 893550828 /nfs/dbraw/zinc/55/08/28/893550828.db2.gz XYXQQUJLUOTBJZ-XQQFMLRXSA-N 2 2 296.415 -0.537 20 0 CBADLP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](C[C@H]2CNC(=O)C2)CC1 ZINC001364654939 894546410 /nfs/dbraw/zinc/54/64/10/894546410.db2.gz FNYSKFLJBYVOQI-YPMHNXCESA-N 2 2 294.399 -0.463 20 0 CBADLP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](C[C@H]2CNC(=O)C2)CC1 ZINC001364654939 894546427 /nfs/dbraw/zinc/54/64/27/894546427.db2.gz FNYSKFLJBYVOQI-YPMHNXCESA-N 2 2 294.399 -0.463 20 0 CBADLP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](C[C@@H]2CNC(=O)C2)CC1 ZINC001364654930 894547336 /nfs/dbraw/zinc/54/73/36/894547336.db2.gz FNYSKFLJBYVOQI-AAEUAGOBSA-N 2 2 294.399 -0.463 20 0 CBADLP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](C[C@@H]2CNC(=O)C2)CC1 ZINC001364654930 894547349 /nfs/dbraw/zinc/54/73/49/894547349.db2.gz FNYSKFLJBYVOQI-AAEUAGOBSA-N 2 2 294.399 -0.463 20 0 CBADLP CNC(=O)N[C@H]1CC[N@H+](CC(=O)NC2CC[NH+](C)CC2)C1 ZINC001364697163 894566215 /nfs/dbraw/zinc/56/62/15/894566215.db2.gz ZAYBVHCFLUMQLA-LBPRGKRZSA-N 2 2 297.403 -0.800 20 0 CBADLP CNC(=O)N[C@H]1CC[N@@H+](CC(=O)NC2CC[NH+](C)CC2)C1 ZINC001364697163 894566220 /nfs/dbraw/zinc/56/62/20/894566220.db2.gz ZAYBVHCFLUMQLA-LBPRGKRZSA-N 2 2 297.403 -0.800 20 0 CBADLP C[C@H]1C[N@H+](CCO)CCN1CC[NH+]1CCOC[C@@H]1C ZINC001365308719 894888007 /nfs/dbraw/zinc/88/80/07/894888007.db2.gz FRMMBWUEBGTPBD-KBPBESRZSA-N 2 2 271.405 -0.295 20 0 CBADLP C[C@H]1C[N@@H+](CCO)CCN1CC[NH+]1CCOC[C@@H]1C ZINC001365308719 894888020 /nfs/dbraw/zinc/88/80/20/894888020.db2.gz FRMMBWUEBGTPBD-KBPBESRZSA-N 2 2 271.405 -0.295 20 0 CBADLP C[C@H]1C[NH+](CCO)CCN1CC[N@H+]1CCOC[C@@H]1C ZINC001365308719 894888037 /nfs/dbraw/zinc/88/80/37/894888037.db2.gz FRMMBWUEBGTPBD-KBPBESRZSA-N 2 2 271.405 -0.295 20 0 CBADLP CN(C[C@H]1CC[N@@H+]1[C@H]1CCNC1=O)C(=O)CC[NH+](C)C ZINC001365787526 895121841 /nfs/dbraw/zinc/12/18/41/895121841.db2.gz BFWZOPXCCQSZBN-NEPJUHHUSA-N 2 2 282.388 -0.641 20 0 CBADLP CN(C[C@H]1CC[N@H+]1[C@H]1CCNC1=O)C(=O)CC[NH+](C)C ZINC001365787526 895121848 /nfs/dbraw/zinc/12/18/48/895121848.db2.gz BFWZOPXCCQSZBN-NEPJUHHUSA-N 2 2 282.388 -0.641 20 0 CBADLP COC[C@H](O)C[NH2+][C@H]1C[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001365822170 895128589 /nfs/dbraw/zinc/12/85/89/895128589.db2.gz RVGAQXDHLRFCJA-NTZNESFSSA-N 2 2 296.371 -0.556 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001365838629 895130724 /nfs/dbraw/zinc/13/07/24/895130724.db2.gz KQIKYZDNDZNAHL-GMTAPVOTSA-N 2 2 291.355 -0.675 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001365848789 895131504 /nfs/dbraw/zinc/13/15/04/895131504.db2.gz KGPXGQKBECCHLG-IJLUTSLNSA-N 2 2 293.371 -0.498 20 0 CBADLP CC[C@H](C(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1)[NH+](C)C ZINC001365940576 895146708 /nfs/dbraw/zinc/14/67/08/895146708.db2.gz PTVKQIBCYKDLBG-WDEREUQCSA-N 2 2 270.377 -0.608 20 0 CBADLP CC[C@H](C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1)[NH+](C)C ZINC001365940576 895146712 /nfs/dbraw/zinc/14/67/12/895146712.db2.gz PTVKQIBCYKDLBG-WDEREUQCSA-N 2 2 270.377 -0.608 20 0 CBADLP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](CC(N)=O)C1 ZINC001365960539 895153343 /nfs/dbraw/zinc/15/33/43/895153343.db2.gz YEYXSLDVKJJROI-LLVKDONJSA-N 2 2 270.377 -0.606 20 0 CBADLP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[NH+](CC(N)=O)C1 ZINC001365960539 895153351 /nfs/dbraw/zinc/15/33/51/895153351.db2.gz YEYXSLDVKJJROI-LLVKDONJSA-N 2 2 270.377 -0.606 20 0 CBADLP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001365960539 895153356 /nfs/dbraw/zinc/15/33/56/895153356.db2.gz YEYXSLDVKJJROI-LLVKDONJSA-N 2 2 270.377 -0.606 20 0 CBADLP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001365960539 895153364 /nfs/dbraw/zinc/15/33/64/895153364.db2.gz YEYXSLDVKJJROI-LLVKDONJSA-N 2 2 270.377 -0.606 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001365983776 895160397 /nfs/dbraw/zinc/16/03/97/895160397.db2.gz LUVAMWPKQYPENW-DGCLKSJQSA-N 2 2 284.404 -0.491 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001365983776 895160407 /nfs/dbraw/zinc/16/04/07/895160407.db2.gz LUVAMWPKQYPENW-DGCLKSJQSA-N 2 2 284.404 -0.491 20 0 CBADLP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CC(=O)N2CCC2)C1)[NH+](C)C ZINC001366001580 895169461 /nfs/dbraw/zinc/16/94/61/895169461.db2.gz CZHIINQQKIXZTO-STQMWFEESA-N 2 2 296.415 -0.251 20 0 CBADLP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCC2)C1)[NH+](C)C ZINC001366001580 895169465 /nfs/dbraw/zinc/16/94/65/895169465.db2.gz CZHIINQQKIXZTO-STQMWFEESA-N 2 2 296.415 -0.251 20 0 CBADLP CC[C@H](C(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCC2)C1)[NH+](C)C ZINC001366001571 895170995 /nfs/dbraw/zinc/17/09/95/895170995.db2.gz CZHIINQQKIXZTO-CHWSQXEVSA-N 2 2 296.415 -0.251 20 0 CBADLP CC[C@H](C(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C1)[NH+](C)C ZINC001366001571 895170996 /nfs/dbraw/zinc/17/09/96/895170996.db2.gz CZHIINQQKIXZTO-CHWSQXEVSA-N 2 2 296.415 -0.251 20 0 CBADLP CN(C)C(=O)C[NH2+][C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001366127735 895203164 /nfs/dbraw/zinc/20/31/64/895203164.db2.gz SWDMMGKQGHCMQJ-MGCOHNPYSA-N 2 2 279.344 -0.723 20 0 CBADLP C[C@@H]([NH2+]C[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1)C(N)=O ZINC001366222696 895228133 /nfs/dbraw/zinc/22/81/33/895228133.db2.gz BAMVCVSEPICVKB-NEPJUHHUSA-N 2 2 293.371 -0.272 20 0 CBADLP CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001366330990 895280930 /nfs/dbraw/zinc/28/09/30/895280930.db2.gz OCLFYJLSGMTPBT-GHMZBOCLSA-N 2 2 295.387 -0.181 20 0 CBADLP CCCNC(=O)[C@H](C)[NH2+][C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001366335767 895286250 /nfs/dbraw/zinc/28/62/50/895286250.db2.gz CDLNJOPYQSRKAI-QWRGUYRKSA-N 2 2 295.387 -0.039 20 0 CBADLP CCCNC(=O)C[NH2+][C@@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001366356138 895288235 /nfs/dbraw/zinc/28/82/35/895288235.db2.gz BMPZADVTCIYOQB-JTQLQIEISA-N 2 2 295.387 -0.119 20 0 CBADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CC(=O)NC1CC1 ZINC001366367841 895292656 /nfs/dbraw/zinc/29/26/56/895292656.db2.gz AECGLBGAOQKKSL-SNVBAGLBSA-N 2 2 279.344 -0.744 20 0 CBADLP CC[C@@H]([NH2+][C@@H](C)CNC(=O)Cc1[nH]c[nH+]c1C)C(N)=O ZINC001366363819 895295095 /nfs/dbraw/zinc/29/50/95/895295095.db2.gz SXWMWRIGGVACGH-WCBMZHEXSA-N 2 2 281.360 -0.381 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001366396365 895308374 /nfs/dbraw/zinc/30/83/74/895308374.db2.gz SRDKPNXDJJDBSH-RYUDHWBXSA-N 2 2 293.371 -0.402 20 0 CBADLP CC[C@@H]([NH2+]C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1)C(N)=O ZINC001366402517 895313159 /nfs/dbraw/zinc/31/31/59/895313159.db2.gz ALPQXNPEOOUQGV-ZYHUDNBSSA-N 2 2 293.371 -0.346 20 0 CBADLP CNC(=O)C[N@H+](C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001366426985 895316957 /nfs/dbraw/zinc/31/69/57/895316957.db2.gz IMYGLKTVEIMWTR-GFCCVEGCSA-N 2 2 293.371 -0.448 20 0 CBADLP CNC(=O)C[N@@H+](C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001366426985 895316976 /nfs/dbraw/zinc/31/69/76/895316976.db2.gz IMYGLKTVEIMWTR-GFCCVEGCSA-N 2 2 293.371 -0.448 20 0 CBADLP NC(=O)C[NH2+][C@@H]1CCC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001366433154 895319948 /nfs/dbraw/zinc/31/99/48/895319948.db2.gz NGSFLWONBNOJGM-MNOVXSKESA-N 2 2 293.371 -0.155 20 0 CBADLP NC(=O)C[NH2+][C@@H]1CCC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001366433154 895319964 /nfs/dbraw/zinc/31/99/64/895319964.db2.gz NGSFLWONBNOJGM-MNOVXSKESA-N 2 2 293.371 -0.155 20 0 CBADLP CNC(=O)C[NH2+][C@H]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001366443402 895320403 /nfs/dbraw/zinc/32/04/03/895320403.db2.gz YBYBQJKPEUDIEK-RYUDHWBXSA-N 2 2 293.371 -0.354 20 0 CBADLP C[C@@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+][C@@H]1CCNC1=O ZINC001366510877 895339836 /nfs/dbraw/zinc/33/98/36/895339836.db2.gz UCIVBTSMEYLXHE-WDEREUQCSA-N 2 2 279.344 -0.744 20 0 CBADLP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC[N@H+](C)CC(N)=O ZINC001366528707 895359730 /nfs/dbraw/zinc/35/97/30/895359730.db2.gz SWCJTCKNOXMASJ-LLVKDONJSA-N 2 2 295.387 -0.070 20 0 CBADLP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC[N@@H+](C)CC(N)=O ZINC001366528707 895359741 /nfs/dbraw/zinc/35/97/41/895359741.db2.gz SWCJTCKNOXMASJ-LLVKDONJSA-N 2 2 295.387 -0.070 20 0 CBADLP CNC(=O)C[N@H+](C)CCNC(=O)CCCn1cc[nH+]c1C ZINC001366579653 895396753 /nfs/dbraw/zinc/39/67/53/895396753.db2.gz HIFJBHOHVIWDIA-UHFFFAOYSA-N 2 2 295.387 -0.234 20 0 CBADLP CNC(=O)C[N@@H+](C)CCNC(=O)CCCn1cc[nH+]c1C ZINC001366579653 895396768 /nfs/dbraw/zinc/39/67/68/895396768.db2.gz HIFJBHOHVIWDIA-UHFFFAOYSA-N 2 2 295.387 -0.234 20 0 CBADLP C[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)CC(=O)NC1CC1 ZINC001366590619 895401376 /nfs/dbraw/zinc/40/13/76/895401376.db2.gz BRNCQOPYXXJSTQ-NSHDSACASA-N 2 2 282.388 -0.735 20 0 CBADLP C[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)CC(=O)NC1CC1 ZINC001366590619 895401387 /nfs/dbraw/zinc/40/13/87/895401387.db2.gz BRNCQOPYXXJSTQ-NSHDSACASA-N 2 2 282.388 -0.735 20 0 CBADLP C[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)CC(=O)NC1CC1 ZINC001366590619 895401396 /nfs/dbraw/zinc/40/13/96/895401396.db2.gz BRNCQOPYXXJSTQ-NSHDSACASA-N 2 2 282.388 -0.735 20 0 CBADLP C[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)CC(=O)NC1CC1 ZINC001366590619 895401408 /nfs/dbraw/zinc/40/14/08/895401408.db2.gz BRNCQOPYXXJSTQ-NSHDSACASA-N 2 2 282.388 -0.735 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001366712658 895440517 /nfs/dbraw/zinc/44/05/17/895440517.db2.gz XBWZSLRHCHQAKO-QWRGUYRKSA-N 2 2 293.371 -0.726 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CC[C@@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001366712658 895440524 /nfs/dbraw/zinc/44/05/24/895440524.db2.gz XBWZSLRHCHQAKO-QWRGUYRKSA-N 2 2 293.371 -0.726 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001366892722 895477041 /nfs/dbraw/zinc/47/70/41/895477041.db2.gz ILDGRLNMVMOQFH-NWDGAFQWSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001366892722 895477044 /nfs/dbraw/zinc/47/70/44/895477044.db2.gz ILDGRLNMVMOQFH-NWDGAFQWSA-N 2 2 296.415 -0.217 20 0 CBADLP COC[C@H](O)C[NH+]1CC(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001366937712 895496386 /nfs/dbraw/zinc/49/63/86/895496386.db2.gz APHAAJZSPMKMQQ-WCQYABFASA-N 2 2 285.388 -0.864 20 0 CBADLP COC[C@H](O)C[NH+]1CC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001366937712 895496393 /nfs/dbraw/zinc/49/63/93/895496393.db2.gz APHAAJZSPMKMQQ-WCQYABFASA-N 2 2 285.388 -0.864 20 0 CBADLP CCNC(=O)C[NH+]1CC(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001366970870 895512495 /nfs/dbraw/zinc/51/24/95/895512495.db2.gz HCQZCTHTYDNDQK-UHFFFAOYSA-N 2 2 296.415 -0.488 20 0 CBADLP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001366989263 895517920 /nfs/dbraw/zinc/51/79/20/895517920.db2.gz NXPJSOOGRFDQHS-PHIMTYICSA-N 2 2 282.388 -0.608 20 0 CBADLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC1C[NH+](CC(N)=O)C1 ZINC001366989263 895517930 /nfs/dbraw/zinc/51/79/30/895517930.db2.gz NXPJSOOGRFDQHS-PHIMTYICSA-N 2 2 282.388 -0.608 20 0 CBADLP C[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H]1CCCNC1=O ZINC001366995613 895521325 /nfs/dbraw/zinc/52/13/25/895521325.db2.gz DMCQPFPKRDVOBM-RWMBFGLXSA-N 2 2 294.399 -0.498 20 0 CBADLP C[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCCNC1=O ZINC001366995613 895521332 /nfs/dbraw/zinc/52/13/32/895521332.db2.gz DMCQPFPKRDVOBM-RWMBFGLXSA-N 2 2 294.399 -0.498 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001367009417 895523709 /nfs/dbraw/zinc/52/37/09/895523709.db2.gz BLGOBBOXTCBDSF-NSHDSACASA-N 2 2 282.388 -0.593 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001367009417 895523721 /nfs/dbraw/zinc/52/37/21/895523721.db2.gz BLGOBBOXTCBDSF-NSHDSACASA-N 2 2 282.388 -0.593 20 0 CBADLP CNC(=O)C[NH+]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001367009417 895523732 /nfs/dbraw/zinc/52/37/32/895523732.db2.gz BLGOBBOXTCBDSF-NSHDSACASA-N 2 2 282.388 -0.593 20 0 CBADLP CNC(=O)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001367009417 895523745 /nfs/dbraw/zinc/52/37/45/895523745.db2.gz BLGOBBOXTCBDSF-NSHDSACASA-N 2 2 282.388 -0.593 20 0 CBADLP CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001367015558 895529121 /nfs/dbraw/zinc/52/91/21/895529121.db2.gz IWMWNUOSGHNNGC-ZDUSSCGKSA-N 2 2 296.415 -0.345 20 0 CBADLP CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001367015558 895529129 /nfs/dbraw/zinc/52/91/29/895529129.db2.gz IWMWNUOSGHNNGC-ZDUSSCGKSA-N 2 2 296.415 -0.345 20 0 CBADLP CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001367018026 895532006 /nfs/dbraw/zinc/53/20/06/895532006.db2.gz WBXJYJYCNGPDJX-LBPRGKRZSA-N 2 2 293.371 -0.482 20 0 CBADLP CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001367018026 895532015 /nfs/dbraw/zinc/53/20/15/895532015.db2.gz WBXJYJYCNGPDJX-LBPRGKRZSA-N 2 2 293.371 -0.482 20 0 CBADLP CC[C@@H](C(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)C)C1)[NH+](C)C ZINC001367038882 895540643 /nfs/dbraw/zinc/54/06/43/895540643.db2.gz KYERIAUQMSALJY-NEPJUHHUSA-N 2 2 284.404 -0.395 20 0 CBADLP CC[C@@H](C(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)C)C1)[NH+](C)C ZINC001367038882 895540650 /nfs/dbraw/zinc/54/06/50/895540650.db2.gz KYERIAUQMSALJY-NEPJUHHUSA-N 2 2 284.404 -0.395 20 0 CBADLP CC[C@@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)[NH2+]CC(N)=O ZINC001367108352 895567900 /nfs/dbraw/zinc/56/79/00/895567900.db2.gz KLZNKVUQGINBEQ-QWRGUYRKSA-N 2 2 293.371 -0.585 20 0 CBADLP CC[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+][C@H]1CCN(C)C1=O ZINC001367152758 895577856 /nfs/dbraw/zinc/57/78/56/895577856.db2.gz MDQJWUMTEIJKNN-NEPJUHHUSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]Cc1nnn(C)n1 ZINC001367283929 895605674 /nfs/dbraw/zinc/60/56/74/895605674.db2.gz FEEHGQPCFWVJJS-NSHDSACASA-N 2 2 295.391 -0.852 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCC1([NH2+]CC(N)=O)CCCC1 ZINC001367323231 895616538 /nfs/dbraw/zinc/61/65/38/895616538.db2.gz GWBIAZYBBYVODS-UHFFFAOYSA-N 2 2 293.371 -0.235 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H](CC(C)C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001367417956 895636853 /nfs/dbraw/zinc/63/68/53/895636853.db2.gz DXBWTPZABSXHHK-LLVKDONJSA-N 2 2 295.387 -0.181 20 0 CBADLP CCC[N@@H+]1CCC[C@H](C(=O)N(C)CC[NH+](C)CC(N)=O)C1 ZINC001367532461 895657092 /nfs/dbraw/zinc/65/70/92/895657092.db2.gz FGKITMUBKBUZPO-ZDUSSCGKSA-N 2 2 298.431 -0.016 20 0 CBADLP CCC[N@H+]1CCC[C@H](C(=O)N(C)CC[NH+](C)CC(N)=O)C1 ZINC001367532461 895657096 /nfs/dbraw/zinc/65/70/96/895657096.db2.gz FGKITMUBKBUZPO-ZDUSSCGKSA-N 2 2 298.431 -0.016 20 0 CBADLP CCC[NH+]1CCC[C@H](C(=O)N(C)CC[N@H+](C)CC(N)=O)C1 ZINC001367532461 895657102 /nfs/dbraw/zinc/65/71/02/895657102.db2.gz FGKITMUBKBUZPO-ZDUSSCGKSA-N 2 2 298.431 -0.016 20 0 CBADLP CCC[NH+]1CCC[C@H](C(=O)N(C)CC[N@@H+](C)CC(N)=O)C1 ZINC001367532461 895657108 /nfs/dbraw/zinc/65/71/08/895657108.db2.gz FGKITMUBKBUZPO-ZDUSSCGKSA-N 2 2 298.431 -0.016 20 0 CBADLP CC(C)[NH2+]C[C@H](O)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001367603095 895694684 /nfs/dbraw/zinc/69/46/84/895694684.db2.gz TYMGXSDGQPBBIU-AAEUAGOBSA-N 2 2 280.372 -0.079 20 0 CBADLP COC[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)Cc1c[nH+]cn1C ZINC001367617710 895707077 /nfs/dbraw/zinc/70/70/77/895707077.db2.gz GEXFNKRNLHWBLD-ZYHUDNBSSA-N 2 2 284.360 -0.936 20 0 CBADLP Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)C[N@@H+](C)C(C)C)[nH]1 ZINC001367630741 895712196 /nfs/dbraw/zinc/71/21/96/895712196.db2.gz OJQYVWDTDHJPQE-NSHDSACASA-N 2 2 298.391 -0.980 20 0 CBADLP Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)C[N@H+](C)C(C)C)[nH]1 ZINC001367630741 895712213 /nfs/dbraw/zinc/71/22/13/895712213.db2.gz OJQYVWDTDHJPQE-NSHDSACASA-N 2 2 298.391 -0.980 20 0 CBADLP C[C@H](CC[NH2+][C@@H]1CCNC1=O)NC(=O)Cc1[nH]cc[nH+]1 ZINC001367633896 895717605 /nfs/dbraw/zinc/71/76/05/895717605.db2.gz FRIFZBHDFXTPQO-NXEZZACHSA-N 2 2 279.344 -0.675 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001367689328 895751321 /nfs/dbraw/zinc/75/13/21/895751321.db2.gz AAJYDDVBKBRXRR-MNOVXSKESA-N 2 2 281.360 -0.498 20 0 CBADLP CCC[N@H+](C)CC(=O)N[C@H](C)C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001367708924 895759846 /nfs/dbraw/zinc/75/98/46/895759846.db2.gz OUXCSSPBYKLGQB-SNVBAGLBSA-N 2 2 298.391 -0.956 20 0 CBADLP CCC[N@@H+](C)CC(=O)N[C@H](C)C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001367708924 895759861 /nfs/dbraw/zinc/75/98/61/895759861.db2.gz OUXCSSPBYKLGQB-SNVBAGLBSA-N 2 2 298.391 -0.956 20 0 CBADLP C[C@H](C[N@H+](C)CCO)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001367815630 895818801 /nfs/dbraw/zinc/81/88/01/895818801.db2.gz RRWMIHGGPLNOAZ-NEPJUHHUSA-N 2 2 280.372 -0.126 20 0 CBADLP C[C@H](C[N@@H+](C)CCO)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001367815630 895818806 /nfs/dbraw/zinc/81/88/06/895818806.db2.gz RRWMIHGGPLNOAZ-NEPJUHHUSA-N 2 2 280.372 -0.126 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+](C)C[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001367820916 895825443 /nfs/dbraw/zinc/82/54/43/895825443.db2.gz OMYULBNUWWYIKS-NEPJUHHUSA-N 2 2 295.387 -0.026 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+](C)C[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001367820916 895825462 /nfs/dbraw/zinc/82/54/62/895825462.db2.gz OMYULBNUWWYIKS-NEPJUHHUSA-N 2 2 295.387 -0.026 20 0 CBADLP COC[C@H](O)C[N@H+](C)C[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001367846870 895830296 /nfs/dbraw/zinc/83/02/96/895830296.db2.gz GDAALFACCOPOSV-CMPLNLGQSA-N 2 2 298.387 -0.296 20 0 CBADLP COC[C@H](O)C[N@@H+](C)C[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001367846870 895830307 /nfs/dbraw/zinc/83/03/07/895830307.db2.gz GDAALFACCOPOSV-CMPLNLGQSA-N 2 2 298.387 -0.296 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001367964949 895873866 /nfs/dbraw/zinc/87/38/66/895873866.db2.gz ZQEHATQEDXUTSR-MNOVXSKESA-N 2 2 270.377 -0.608 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001367964949 895873883 /nfs/dbraw/zinc/87/38/83/895873883.db2.gz ZQEHATQEDXUTSR-MNOVXSKESA-N 2 2 270.377 -0.608 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CC[NH+]1CC(=O)N(C)C ZINC001367975488 895877604 /nfs/dbraw/zinc/87/76/04/895877604.db2.gz HHYYXEPGOMARTF-LBPRGKRZSA-N 2 2 284.404 -0.395 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CC[NH+]1CC(=O)N(C)C ZINC001367975488 895877613 /nfs/dbraw/zinc/87/76/13/895877613.db2.gz HHYYXEPGOMARTF-LBPRGKRZSA-N 2 2 284.404 -0.395 20 0 CBADLP CC(C)[NH+](C)CC(=O)NC[C@@H]1CC[N@@H+]1CC(=O)N(C)C ZINC001367975488 895877624 /nfs/dbraw/zinc/87/76/24/895877624.db2.gz HHYYXEPGOMARTF-LBPRGKRZSA-N 2 2 284.404 -0.395 20 0 CBADLP CC(C)[NH+](C)CC(=O)NC[C@@H]1CC[N@H+]1CC(=O)N(C)C ZINC001367975488 895877632 /nfs/dbraw/zinc/87/76/32/895877632.db2.gz HHYYXEPGOMARTF-LBPRGKRZSA-N 2 2 284.404 -0.395 20 0 CBADLP CN(C)C(=O)C[N@@H+]1CC[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001367988821 895880999 /nfs/dbraw/zinc/88/09/99/895880999.db2.gz WUBIPNBPXUWZMT-OLZOCXBDSA-N 2 2 296.415 -0.393 20 0 CBADLP CN(C)C(=O)C[N@H+]1CC[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001367988821 895881018 /nfs/dbraw/zinc/88/10/18/895881018.db2.gz WUBIPNBPXUWZMT-OLZOCXBDSA-N 2 2 296.415 -0.393 20 0 CBADLP CN(C)C(=O)C[NH+]1CC[C@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001367988821 895881032 /nfs/dbraw/zinc/88/10/32/895881032.db2.gz WUBIPNBPXUWZMT-OLZOCXBDSA-N 2 2 296.415 -0.393 20 0 CBADLP CN(C)C(=O)C[NH+]1CC[C@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001367988821 895881045 /nfs/dbraw/zinc/88/10/45/895881045.db2.gz WUBIPNBPXUWZMT-OLZOCXBDSA-N 2 2 296.415 -0.393 20 0 CBADLP COC[C@@H](O)C[NH2+]C1(CNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001368026536 895891791 /nfs/dbraw/zinc/89/17/91/895891791.db2.gz FVFWGVGONRMFMJ-LBPRGKRZSA-N 2 2 296.371 -0.792 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001368104991 895916157 /nfs/dbraw/zinc/91/61/57/895916157.db2.gz GDTDKRWIDFLWPL-NSHDSACASA-N 2 2 279.344 -0.721 20 0 CBADLP CO[C@H](C)C[N@@H+]1CC[C@@](O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001368277070 895959276 /nfs/dbraw/zinc/95/92/76/895959276.db2.gz YCLORXRKSLEWMZ-BXUZGUMPSA-N 2 2 296.371 -0.460 20 0 CBADLP CO[C@H](C)C[N@H+]1CC[C@@](O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001368277070 895959286 /nfs/dbraw/zinc/95/92/86/895959286.db2.gz YCLORXRKSLEWMZ-BXUZGUMPSA-N 2 2 296.371 -0.460 20 0 CBADLP CO[C@H](C)C[N@@H+]1CC[C@](O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001368277078 895959404 /nfs/dbraw/zinc/95/94/04/895959404.db2.gz YCLORXRKSLEWMZ-RISCZKNCSA-N 2 2 296.371 -0.460 20 0 CBADLP CO[C@H](C)C[N@H+]1CC[C@](O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001368277078 895959423 /nfs/dbraw/zinc/95/94/23/895959423.db2.gz YCLORXRKSLEWMZ-RISCZKNCSA-N 2 2 296.371 -0.460 20 0 CBADLP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1(O)C[NH+](C[C@H](C)O)C1 ZINC001368294561 895968904 /nfs/dbraw/zinc/96/89/04/895968904.db2.gz LTLWKVFLYJCHRM-STQMWFEESA-N 2 2 299.415 -0.597 20 0 CBADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1(O)C[NH+](C[C@H](C)O)C1 ZINC001368294561 895968916 /nfs/dbraw/zinc/96/89/16/895968916.db2.gz LTLWKVFLYJCHRM-STQMWFEESA-N 2 2 299.415 -0.597 20 0 CBADLP CC[N@@H+]1CCOC[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001368451527 896011993 /nfs/dbraw/zinc/01/19/93/896011993.db2.gz KERNPHBRDVVABC-CYBMUJFWSA-N 2 2 299.415 -0.066 20 0 CBADLP CC[N@H+]1CCOC[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001368451527 896012003 /nfs/dbraw/zinc/01/20/03/896012003.db2.gz KERNPHBRDVVABC-CYBMUJFWSA-N 2 2 299.415 -0.066 20 0 CBADLP CNC(=O)[C@H](C)[N@H+](C)CCCN(C)C(=O)Cn1cc[nH+]c1 ZINC001368563973 896039754 /nfs/dbraw/zinc/03/97/54/896039754.db2.gz GRXBJOAKGJPBPY-LBPRGKRZSA-N 2 2 295.387 -0.202 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+](C)CCCN(C)C(=O)Cn1cc[nH+]c1 ZINC001368563973 896039772 /nfs/dbraw/zinc/03/97/72/896039772.db2.gz GRXBJOAKGJPBPY-LBPRGKRZSA-N 2 2 295.387 -0.202 20 0 CBADLP CNC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC001368661834 896056285 /nfs/dbraw/zinc/05/62/85/896056285.db2.gz QPPPMTVEEDGSDJ-CMPLNLGQSA-N 2 2 293.371 -0.855 20 0 CBADLP Cc1nnc(C[NH2+][C@@H](C)CCNC(=O)Cn2cc[nH+]c2)[nH]1 ZINC001368748170 896075985 /nfs/dbraw/zinc/07/59/85/896075985.db2.gz GXQOATNINYHEIP-JTQLQIEISA-N 2 2 291.359 -0.006 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)NC1CC(C[NH2+]CC(N)=O)C1 ZINC001368824342 896091635 /nfs/dbraw/zinc/09/16/35/896091635.db2.gz MSMUDNAESHTLQA-UHFFFAOYSA-N 2 2 293.371 -0.678 20 0 CBADLP C[C@H](NC(=O)c1cc(C[NH+](C)C)on1)[C@H](C)[NH2+]CC(N)=O ZINC001368860966 896099700 /nfs/dbraw/zinc/09/97/00/896099700.db2.gz HYDSOXNTOBXFDH-IUCAKERBSA-N 2 2 297.359 -0.682 20 0 CBADLP Cc1cn(C(C)(C)C(=O)N[C@H](C)[C@H](C)[NH2+]CC(N)=O)c[nH+]1 ZINC001368858383 896101243 /nfs/dbraw/zinc/10/12/43/896101243.db2.gz SJYCZIPEFSRTOY-WDEREUQCSA-N 2 2 295.387 -0.105 20 0 CBADLP C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)[C@H](C)[NH2+]CCn1cncn1 ZINC001368873233 896103792 /nfs/dbraw/zinc/10/37/92/896103792.db2.gz MVLKYQDCRVVPCQ-WDEREUQCSA-N 2 2 291.359 -0.273 20 0 CBADLP CNC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001368896857 896106340 /nfs/dbraw/zinc/10/63/40/896106340.db2.gz MDYDPMWPPDTHHX-VHSXEESVSA-N 2 2 281.360 -0.809 20 0 CBADLP COC[C@H](O)C[NH+]1CC([C@@H](C)NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001369101405 896153596 /nfs/dbraw/zinc/15/35/96/896153596.db2.gz RZMZFQCEAVVTNF-ZYHUDNBSSA-N 2 2 296.371 -0.604 20 0 CBADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CC(N)=O)CC1(C)C)[NH+](C)C ZINC001369119462 896156837 /nfs/dbraw/zinc/15/68/37/896156837.db2.gz QMRUXYURMZBBCI-WDEREUQCSA-N 2 2 284.404 -0.362 20 0 CBADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(N)=O)CC1(C)C)[NH+](C)C ZINC001369119462 896156845 /nfs/dbraw/zinc/15/68/45/896156845.db2.gz QMRUXYURMZBBCI-WDEREUQCSA-N 2 2 284.404 -0.362 20 0 CBADLP CCC[N@H+](C)CC(=O)N[C@H](C)C1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001369141576 896159481 /nfs/dbraw/zinc/15/94/81/896159481.db2.gz CWVXZRWXVSBKPK-MNOVXSKESA-N 2 2 284.404 -0.362 20 0 CBADLP CCC[N@@H+](C)CC(=O)N[C@H](C)C1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001369141576 896159491 /nfs/dbraw/zinc/15/94/91/896159491.db2.gz CWVXZRWXVSBKPK-MNOVXSKESA-N 2 2 284.404 -0.362 20 0 CBADLP COC[C@@H](O)C[NH2+]C[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001369187374 896167420 /nfs/dbraw/zinc/16/74/20/896167420.db2.gz WDCRIVZJDRUFGG-AVGNSLFASA-N 2 2 296.371 -0.625 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@@H](C)[NH2+][C@@H](C)C(N)=O ZINC001369304707 896192866 /nfs/dbraw/zinc/19/28/66/896192866.db2.gz YMXWRAHQWIQXNS-SCZZXKLOSA-N 2 2 281.360 -0.429 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H](CO)[NH2+]CC1CCOCC1 ZINC001369377126 896246078 /nfs/dbraw/zinc/24/60/78/896246078.db2.gz VOYGZLGPMUPJHH-GFCCVEGCSA-N 2 2 296.371 -0.555 20 0 CBADLP C[N@@H+]1CC[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc2nccs2)C1 ZINC001369379196 896247117 /nfs/dbraw/zinc/24/71/17/896247117.db2.gz DAPCGAPPYXIVQQ-GHMZBOCLSA-N 2 2 298.412 -0.339 20 0 CBADLP C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc2nccs2)C1 ZINC001369379196 896247131 /nfs/dbraw/zinc/24/71/31/896247131.db2.gz DAPCGAPPYXIVQQ-GHMZBOCLSA-N 2 2 298.412 -0.339 20 0 CBADLP Cn1ccc(C[NH2+][C@H](CO)CNC(=O)C[NH+]2CCCC2)n1 ZINC001369385672 896252686 /nfs/dbraw/zinc/25/26/86/896252686.db2.gz RPJRRINXQMKOFE-ZDUSSCGKSA-N 2 2 295.387 -0.917 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001369517884 896304339 /nfs/dbraw/zinc/30/43/39/896304339.db2.gz OYFFLDVCOURBBJ-LLVKDONJSA-N 2 2 284.360 -0.650 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001369517884 896304351 /nfs/dbraw/zinc/30/43/51/896304351.db2.gz OYFFLDVCOURBBJ-LLVKDONJSA-N 2 2 284.360 -0.650 20 0 CBADLP CC[N@H+](C)CCC(=O)NC[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001452958927 914053936 /nfs/dbraw/zinc/05/39/36/914053936.db2.gz LSLDAVGIDGHBCD-NSHDSACASA-N 2 2 295.387 -0.085 20 0 CBADLP CC[N@@H+](C)CCC(=O)NC[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001452958927 914053950 /nfs/dbraw/zinc/05/39/50/914053950.db2.gz LSLDAVGIDGHBCD-NSHDSACASA-N 2 2 295.387 -0.085 20 0 CBADLP C[C@@H](NC(=O)Cn1cc[nH+]c1)C1CC[NH+](CC(N)=O)CC1 ZINC001369570512 896318387 /nfs/dbraw/zinc/31/83/87/896318387.db2.gz MSTHTRHLKMYSCG-LLVKDONJSA-N 2 2 293.371 -0.415 20 0 CBADLP CNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001370391755 896423809 /nfs/dbraw/zinc/42/38/09/896423809.db2.gz PINSTOJNLNGCLN-MNOVXSKESA-N 2 2 293.371 -0.475 20 0 CBADLP Cn1c[nH+]c(CCNC(=O)NCC[N@@H+]2CCCOCC2)c1 ZINC001370486069 896438649 /nfs/dbraw/zinc/43/86/49/896438649.db2.gz SANASMHIPNPOJX-UHFFFAOYSA-N 2 2 295.387 -0.016 20 0 CBADLP Cn1c[nH+]c(CCNC(=O)NCC[N@H+]2CCCOCC2)c1 ZINC001370486069 896438659 /nfs/dbraw/zinc/43/86/59/896438659.db2.gz SANASMHIPNPOJX-UHFFFAOYSA-N 2 2 295.387 -0.016 20 0 CBADLP C[C@@H]([NH2+]C[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1)C(N)=O ZINC001370952599 896526144 /nfs/dbraw/zinc/52/61/44/896526144.db2.gz SBPDYNIKPLITFR-ZYHUDNBSSA-N 2 2 293.371 -0.203 20 0 CBADLP COC[C@H](O)C[NH2+][C@@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001371366930 896597234 /nfs/dbraw/zinc/59/72/34/896597234.db2.gz WKIWMRHYUBAOJV-GXSJLCMTSA-N 2 2 270.333 -0.946 20 0 CBADLP CCC[N@H+](C)CC(=O)NC[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001371422050 896606798 /nfs/dbraw/zinc/60/67/98/896606798.db2.gz CKYIPTHRXQZGMP-JTQLQIEISA-N 2 2 298.391 -0.956 20 0 CBADLP CCC[N@@H+](C)CC(=O)NC[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001371422050 896606804 /nfs/dbraw/zinc/60/68/04/896606804.db2.gz CKYIPTHRXQZGMP-JTQLQIEISA-N 2 2 298.391 -0.956 20 0 CBADLP CNC(=O)C[NH2+][C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001371511195 896626295 /nfs/dbraw/zinc/62/62/95/896626295.db2.gz WZGCFKYGMCEUMR-NSHDSACASA-N 2 2 279.344 -0.721 20 0 CBADLP CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001371618832 896644310 /nfs/dbraw/zinc/64/43/10/896644310.db2.gz PXICFKRIRHYTBK-SNVBAGLBSA-N 2 2 279.344 -0.864 20 0 CBADLP CNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001371968709 896698396 /nfs/dbraw/zinc/69/83/96/896698396.db2.gz IQGPDTYBEJPOJV-GFCCVEGCSA-N 2 2 282.388 -0.878 20 0 CBADLP CNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001371968709 896698411 /nfs/dbraw/zinc/69/84/11/896698411.db2.gz IQGPDTYBEJPOJV-GFCCVEGCSA-N 2 2 282.388 -0.878 20 0 CBADLP CNC(=O)C[N@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001372004114 896706389 /nfs/dbraw/zinc/70/63/89/896706389.db2.gz BYLIPBZEIWIJER-LLVKDONJSA-N 2 2 270.377 -0.735 20 0 CBADLP CNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001372004114 896706395 /nfs/dbraw/zinc/70/63/95/896706395.db2.gz BYLIPBZEIWIJER-LLVKDONJSA-N 2 2 270.377 -0.735 20 0 CBADLP CNC(=O)C[NH+](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001372004114 896706406 /nfs/dbraw/zinc/70/64/06/896706406.db2.gz BYLIPBZEIWIJER-LLVKDONJSA-N 2 2 270.377 -0.735 20 0 CBADLP CNC(=O)C[NH+](C)CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001372004114 896706415 /nfs/dbraw/zinc/70/64/15/896706415.db2.gz BYLIPBZEIWIJER-LLVKDONJSA-N 2 2 270.377 -0.735 20 0 CBADLP CC1CC[NH+](CC(=O)NCC[N@H+](C)CC(=O)N(C)C)CC1 ZINC001372163837 896738934 /nfs/dbraw/zinc/73/89/34/896738934.db2.gz JQHUMPJCUOAGTO-UHFFFAOYSA-N 2 2 298.431 -0.146 20 0 CBADLP CC1CC[NH+](CC(=O)NCC[N@@H+](C)CC(=O)N(C)C)CC1 ZINC001372163837 896738947 /nfs/dbraw/zinc/73/89/47/896738947.db2.gz JQHUMPJCUOAGTO-UHFFFAOYSA-N 2 2 298.431 -0.146 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC[C@H]1CCC[N@H+]1[C@H](C)C(N)=O ZINC001372567161 896806187 /nfs/dbraw/zinc/80/61/87/896806187.db2.gz MVLSVDZUJPDSPT-ZYHUDNBSSA-N 2 2 293.371 -0.354 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC[C@H]1CCC[N@@H+]1[C@H](C)C(N)=O ZINC001372567161 896806203 /nfs/dbraw/zinc/80/62/03/896806203.db2.gz MVLSVDZUJPDSPT-ZYHUDNBSSA-N 2 2 293.371 -0.354 20 0 CBADLP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CCC[NH+]2CC(N)=O)C1 ZINC001372560291 896806596 /nfs/dbraw/zinc/80/65/96/896806596.db2.gz WEZLWQBYGJTBIB-NEPJUHHUSA-N 2 2 282.388 -0.606 20 0 CBADLP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2CCC[NH+]2CC(N)=O)C1 ZINC001372560291 896806610 /nfs/dbraw/zinc/80/66/10/896806610.db2.gz WEZLWQBYGJTBIB-NEPJUHHUSA-N 2 2 282.388 -0.606 20 0 CBADLP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2CCC[N@@H+]2CC(N)=O)C1 ZINC001372560291 896806625 /nfs/dbraw/zinc/80/66/25/896806625.db2.gz WEZLWQBYGJTBIB-NEPJUHHUSA-N 2 2 282.388 -0.606 20 0 CBADLP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2CCC[N@H+]2CC(N)=O)C1 ZINC001372560291 896806639 /nfs/dbraw/zinc/80/66/39/896806639.db2.gz WEZLWQBYGJTBIB-NEPJUHHUSA-N 2 2 282.388 -0.606 20 0 CBADLP CNC(=O)[C@H](C)[N@H+]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001372648311 896831691 /nfs/dbraw/zinc/83/16/91/896831691.db2.gz KCTCPSUMHRITPZ-WDEREUQCSA-N 2 2 293.371 -0.475 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001372648311 896831676 /nfs/dbraw/zinc/83/16/76/896831676.db2.gz KCTCPSUMHRITPZ-WDEREUQCSA-N 2 2 293.371 -0.475 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC[C@H]1CC[N@H+](CCCO)C1 ZINC001372671336 896835829 /nfs/dbraw/zinc/83/58/29/896835829.db2.gz NXDDLYKJIZJZPP-GFCCVEGCSA-N 2 2 280.372 -0.217 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC[C@H]1CC[N@@H+](CCCO)C1 ZINC001372671336 896835845 /nfs/dbraw/zinc/83/58/45/896835845.db2.gz NXDDLYKJIZJZPP-GFCCVEGCSA-N 2 2 280.372 -0.217 20 0 CBADLP C[C@@H](CNC(=O)CC[NH+](C)C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001373066591 896935447 /nfs/dbraw/zinc/93/54/47/896935447.db2.gz NTYHFUJEFYFSFK-NSHDSACASA-N 2 2 295.387 -0.085 20 0 CBADLP CC[C@@H](C(=O)NC[C@H](C)NC(=O)Cc1c[nH]c[nH+]1)[NH+](C)C ZINC001373098798 896941199 /nfs/dbraw/zinc/94/11/99/896941199.db2.gz BFRPZXYSSARQKC-JQWIXIFHSA-N 2 2 295.387 -0.087 20 0 CBADLP COC[C@H](O)C[NH+]1CC(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001373483501 897028342 /nfs/dbraw/zinc/02/83/42/897028342.db2.gz UJYOTJSCZYGGFT-CQSZACIVSA-N 2 2 299.415 -0.330 20 0 CBADLP CC(C)NC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001373553116 897048352 /nfs/dbraw/zinc/04/83/52/897048352.db2.gz UFTNQZRSPLRFDF-CYBMUJFWSA-N 2 2 296.415 -0.489 20 0 CBADLP CC(C)NC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001373553116 897048365 /nfs/dbraw/zinc/04/83/65/897048365.db2.gz UFTNQZRSPLRFDF-CYBMUJFWSA-N 2 2 296.415 -0.489 20 0 CBADLP COC[C@@H](O)C[NH+]1CC(CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001373553918 897049513 /nfs/dbraw/zinc/04/95/13/897049513.db2.gz UZTIWBNYPCRAGI-LBPRGKRZSA-N 2 2 296.371 -0.684 20 0 CBADLP COC[C@H](O)C[N@@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001373594875 897066981 /nfs/dbraw/zinc/06/69/81/897066981.db2.gz FLHPZJMHKFFXMP-QWHCGFSZSA-N 2 2 296.371 -0.460 20 0 CBADLP COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001373594875 897066988 /nfs/dbraw/zinc/06/69/88/897066988.db2.gz FLHPZJMHKFFXMP-QWHCGFSZSA-N 2 2 296.371 -0.460 20 0 CBADLP COC[C@H](O)C[N@@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001373594875 897066996 /nfs/dbraw/zinc/06/69/96/897066996.db2.gz FLHPZJMHKFFXMP-QWHCGFSZSA-N 2 2 296.371 -0.460 20 0 CBADLP COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001373594875 897067005 /nfs/dbraw/zinc/06/70/05/897067005.db2.gz FLHPZJMHKFFXMP-QWHCGFSZSA-N 2 2 296.371 -0.460 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N(C)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001373633541 897085218 /nfs/dbraw/zinc/08/52/18/897085218.db2.gz MSJZWULPNFPWFJ-UHFFFAOYSA-N 2 2 295.387 -0.133 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N(C)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001373633541 897085232 /nfs/dbraw/zinc/08/52/32/897085232.db2.gz MSJZWULPNFPWFJ-UHFFFAOYSA-N 2 2 295.387 -0.133 20 0 CBADLP CNC(=O)C[NH2+]CC1(NC(=O)Cc2c[nH]c[nH+]2)CCCC1 ZINC001373855621 897135094 /nfs/dbraw/zinc/13/50/94/897135094.db2.gz BMROCXLVVXPNCK-UHFFFAOYSA-N 2 2 293.371 -0.283 20 0 CBADLP C[NH+](C)CCC(=O)N1CCC2(C[NH+](CC(N)=O)C2)CC1 ZINC001374183212 897183552 /nfs/dbraw/zinc/18/35/52/897183552.db2.gz BLTWREODYZTEGT-UHFFFAOYSA-N 2 2 282.388 -0.652 20 0 CBADLP C[C@@H](C[NH2+][C@@H]1CCNC1=O)N(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001374233832 897193057 /nfs/dbraw/zinc/19/30/57/897193057.db2.gz PHFHRPMTXGRNLM-CMPLNLGQSA-N 2 2 293.371 -0.333 20 0 CBADLP C[C@@H](C[NH2+][C@@H]1CCNC1=O)N(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001374233832 897193078 /nfs/dbraw/zinc/19/30/78/897193078.db2.gz PHFHRPMTXGRNLM-CMPLNLGQSA-N 2 2 293.371 -0.333 20 0 CBADLP C[C@H](C[NH2+]Cc1cnnn1C)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001374303443 897206742 /nfs/dbraw/zinc/20/67/42/897206742.db2.gz PCFLLZVFSIJDMH-SNVBAGLBSA-N 2 2 291.359 -0.283 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001374314637 897213665 /nfs/dbraw/zinc/21/36/65/897213665.db2.gz LAVNUEYRGTWQAG-SECBINFHSA-N 2 2 281.360 -0.557 20 0 CBADLP CC[C@@H]([NH2+][C@H](CNC(=O)Cc1[nH]cc[nH+]1)C(C)C)C(N)=O ZINC001374438771 897226239 /nfs/dbraw/zinc/22/62/39/897226239.db2.gz LVNSKAHHHUGANP-GHMZBOCLSA-N 2 2 295.387 -0.054 20 0 CBADLP C[C@@H](C(N)=O)[N@H+](C)CCN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001374506080 897244931 /nfs/dbraw/zinc/24/49/31/897244931.db2.gz RWRJJHJIHUOPDP-NWDGAFQWSA-N 2 2 284.404 -0.265 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001374506080 897244950 /nfs/dbraw/zinc/24/49/50/897244950.db2.gz RWRJJHJIHUOPDP-NWDGAFQWSA-N 2 2 284.404 -0.265 20 0 CBADLP C[C@@H](C(N)=O)[NH+](C)CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001374506080 897244970 /nfs/dbraw/zinc/24/49/70/897244970.db2.gz RWRJJHJIHUOPDP-NWDGAFQWSA-N 2 2 284.404 -0.265 20 0 CBADLP C[C@@H](C(N)=O)[NH+](C)CCN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001374506080 897244987 /nfs/dbraw/zinc/24/49/87/897244987.db2.gz RWRJJHJIHUOPDP-NWDGAFQWSA-N 2 2 284.404 -0.265 20 0 CBADLP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH+](C)CC(N)=O ZINC001374557802 897260593 /nfs/dbraw/zinc/26/05/93/897260593.db2.gz QBIKZAAORKZOSL-GFCCVEGCSA-N 2 2 284.404 -0.264 20 0 CBADLP CC[NH+]1CCCC[C@@H]1C(=O)N(C)CC[N@H+](C)CC(N)=O ZINC001374557802 897260610 /nfs/dbraw/zinc/26/06/10/897260610.db2.gz QBIKZAAORKZOSL-GFCCVEGCSA-N 2 2 284.404 -0.264 20 0 CBADLP CC[NH+]1CCCC[C@@H]1C(=O)N(C)CC[N@@H+](C)CC(N)=O ZINC001374557802 897260627 /nfs/dbraw/zinc/26/06/27/897260627.db2.gz QBIKZAAORKZOSL-GFCCVEGCSA-N 2 2 284.404 -0.264 20 0 CBADLP NC(=O)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001374571767 897271998 /nfs/dbraw/zinc/27/19/98/897271998.db2.gz KUOJUHWUIYHFOU-NXEZZACHSA-N 2 2 279.344 -0.688 20 0 CBADLP CC[NH2+]C[C@H](O)CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001374600896 897300643 /nfs/dbraw/zinc/30/06/43/897300643.db2.gz AOSMDEYRAYHCJD-GXFFZTMASA-N 2 2 295.387 -0.123 20 0 CBADLP CC[NH2+]C[C@H](O)CNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001374600896 897300655 /nfs/dbraw/zinc/30/06/55/897300655.db2.gz AOSMDEYRAYHCJD-GXFFZTMASA-N 2 2 295.387 -0.123 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@H](O)C[NH2+]C[C@H]1CCCOC1 ZINC001374676689 897339298 /nfs/dbraw/zinc/33/92/98/897339298.db2.gz MXVAJLGICMTHCU-CHWSQXEVSA-N 2 2 296.371 -0.624 20 0 CBADLP C[C@H](CC[NH2+][C@@H](C)C(=O)N(C)C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001374698160 897347940 /nfs/dbraw/zinc/34/79/40/897347940.db2.gz DCTVZEFQYGFHMC-MNOVXSKESA-N 2 2 295.387 -0.087 20 0 CBADLP C[C@H](C[NH2+]CC(N)=O)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001374775194 897383912 /nfs/dbraw/zinc/38/39/12/897383912.db2.gz FKSAKMZCGRWCLX-MRVPVSSYSA-N 2 2 275.312 -0.244 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@H](C)C[NH2+]Cc1cnn(C)n1 ZINC001374846376 897407010 /nfs/dbraw/zinc/40/70/10/897407010.db2.gz ILERCNDAOWUKIE-SNVBAGLBSA-N 2 2 291.359 -0.385 20 0 CBADLP C[C@@H](C[NH2+][C@@H]1CCN(C)C1=O)NC(=O)CCc1c[nH]c[nH+]1 ZINC001374891080 897424254 /nfs/dbraw/zinc/42/42/54/897424254.db2.gz IZARSFRLWRWDRL-CMPLNLGQSA-N 2 2 293.371 -0.333 20 0 CBADLP C[C@@H](C[NH2+][C@@H]1CCN(C)C1=O)NC(=O)CCc1c[nH+]c[nH]1 ZINC001374891080 897424258 /nfs/dbraw/zinc/42/42/58/897424258.db2.gz IZARSFRLWRWDRL-CMPLNLGQSA-N 2 2 293.371 -0.333 20 0 CBADLP CC(C)CNC(=O)C[NH2+]C[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001374953551 897443719 /nfs/dbraw/zinc/44/37/19/897443719.db2.gz NRJLHRQTFGJMKE-NSHDSACASA-N 2 2 295.387 -0.181 20 0 CBADLP COC[C@@H](O)C[N@H+](C)C[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001375107860 897478822 /nfs/dbraw/zinc/47/88/22/897478822.db2.gz DENZJRUUTCWULU-PWSUYJOCSA-N 2 2 284.360 -0.604 20 0 CBADLP COC[C@@H](O)C[N@@H+](C)C[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001375107860 897478835 /nfs/dbraw/zinc/47/88/35/897478835.db2.gz DENZJRUUTCWULU-PWSUYJOCSA-N 2 2 284.360 -0.604 20 0 CBADLP CCNC(=O)C[N@H+](C)C[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001375123119 897481089 /nfs/dbraw/zinc/48/10/89/897481089.db2.gz YJXJQKYWJMLBGO-NSHDSACASA-N 2 2 295.387 -0.236 20 0 CBADLP CCNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001375123119 897481097 /nfs/dbraw/zinc/48/10/97/897481097.db2.gz YJXJQKYWJMLBGO-NSHDSACASA-N 2 2 295.387 -0.236 20 0 CBADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH+](C)CC(N)=O ZINC001375158294 897487487 /nfs/dbraw/zinc/48/74/87/897487487.db2.gz JOYDNIJZVFWAQW-NWDGAFQWSA-N 2 2 284.404 -0.217 20 0 CBADLP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH+](C)CC(N)=O ZINC001375158294 897487495 /nfs/dbraw/zinc/48/74/95/897487495.db2.gz JOYDNIJZVFWAQW-NWDGAFQWSA-N 2 2 284.404 -0.217 20 0 CBADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[N@H+](C)CC(N)=O ZINC001375158294 897487500 /nfs/dbraw/zinc/48/75/00/897487500.db2.gz JOYDNIJZVFWAQW-NWDGAFQWSA-N 2 2 284.404 -0.217 20 0 CBADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[N@@H+](C)CC(N)=O ZINC001375158294 897487506 /nfs/dbraw/zinc/48/75/06/897487506.db2.gz JOYDNIJZVFWAQW-NWDGAFQWSA-N 2 2 284.404 -0.217 20 0 CBADLP CC[C@@H](C(=O)NC[C@H]1CC[N@@H+]1CC(=O)N(C)CC)[NH+](C)C ZINC001375361925 897523397 /nfs/dbraw/zinc/52/33/97/897523397.db2.gz IBAVHPSQJSOYRE-OLZOCXBDSA-N 2 2 298.431 -0.005 20 0 CBADLP CC[C@@H](C(=O)NC[C@H]1CC[N@H+]1CC(=O)N(C)CC)[NH+](C)C ZINC001375361925 897523407 /nfs/dbraw/zinc/52/34/07/897523407.db2.gz IBAVHPSQJSOYRE-OLZOCXBDSA-N 2 2 298.431 -0.005 20 0 CBADLP CCN(CC)C(=O)C[N@@H+]1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001375344305 897526868 /nfs/dbraw/zinc/52/68/68/897526868.db2.gz ZHRBEGHXSGJFCX-ZDUSSCGKSA-N 2 2 298.431 -0.003 20 0 CBADLP CCN(CC)C(=O)C[N@H+]1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001375344305 897526880 /nfs/dbraw/zinc/52/68/80/897526880.db2.gz ZHRBEGHXSGJFCX-ZDUSSCGKSA-N 2 2 298.431 -0.003 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1CC[N@@H+]1CCO ZINC001375372570 897527851 /nfs/dbraw/zinc/52/78/51/897527851.db2.gz FEXWFBRKSDKJFD-OLZOCXBDSA-N 2 2 285.388 -0.863 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1CC[N@H+]1CCO ZINC001375372570 897527867 /nfs/dbraw/zinc/52/78/67/897527867.db2.gz FEXWFBRKSDKJFD-OLZOCXBDSA-N 2 2 285.388 -0.863 20 0 CBADLP CCN(C)C(=O)C[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001375374583 897528928 /nfs/dbraw/zinc/52/89/28/897528928.db2.gz SVRSPCHPQDWGFM-QWHCGFSZSA-N 2 2 296.415 -0.393 20 0 CBADLP CCN(C)C(=O)C[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001375374583 897528939 /nfs/dbraw/zinc/52/89/39/897528939.db2.gz SVRSPCHPQDWGFM-QWHCGFSZSA-N 2 2 296.415 -0.393 20 0 CBADLP CCN(C)C(=O)C[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001375374583 897528951 /nfs/dbraw/zinc/52/89/51/897528951.db2.gz SVRSPCHPQDWGFM-QWHCGFSZSA-N 2 2 296.415 -0.393 20 0 CBADLP CCN(C)C(=O)C[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001375374583 897528962 /nfs/dbraw/zinc/52/89/62/897528962.db2.gz SVRSPCHPQDWGFM-QWHCGFSZSA-N 2 2 296.415 -0.393 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001375378846 897531685 /nfs/dbraw/zinc/53/16/85/897531685.db2.gz UIEOESNQAADPLY-CHWSQXEVSA-N 2 2 296.415 -0.073 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001375378846 897531700 /nfs/dbraw/zinc/53/17/00/897531700.db2.gz UIEOESNQAADPLY-CHWSQXEVSA-N 2 2 296.415 -0.073 20 0 CBADLP CCN(C)C(=O)C[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001375374576 897532094 /nfs/dbraw/zinc/53/20/94/897532094.db2.gz SVRSPCHPQDWGFM-CHWSQXEVSA-N 2 2 296.415 -0.393 20 0 CBADLP CCN(C)C(=O)C[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001375374576 897532109 /nfs/dbraw/zinc/53/21/09/897532109.db2.gz SVRSPCHPQDWGFM-CHWSQXEVSA-N 2 2 296.415 -0.393 20 0 CBADLP CCN(C)C(=O)C[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001375374576 897532117 /nfs/dbraw/zinc/53/21/17/897532117.db2.gz SVRSPCHPQDWGFM-CHWSQXEVSA-N 2 2 296.415 -0.393 20 0 CBADLP CCN(C)C(=O)C[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001375374576 897532132 /nfs/dbraw/zinc/53/21/32/897532132.db2.gz SVRSPCHPQDWGFM-CHWSQXEVSA-N 2 2 296.415 -0.393 20 0 CBADLP CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)[C@H]1C ZINC001375648498 897582265 /nfs/dbraw/zinc/58/22/65/897582265.db2.gz QTJVNXXLLHRMGW-FRRDWIJNSA-N 2 2 296.415 -0.204 20 0 CBADLP CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)[C@H]1C ZINC001375648498 897582269 /nfs/dbraw/zinc/58/22/69/897582269.db2.gz QTJVNXXLLHRMGW-FRRDWIJNSA-N 2 2 296.415 -0.204 20 0 CBADLP CCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@H]1C ZINC001375648498 897582278 /nfs/dbraw/zinc/58/22/78/897582278.db2.gz QTJVNXXLLHRMGW-FRRDWIJNSA-N 2 2 296.415 -0.204 20 0 CBADLP CCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@H]1C ZINC001375648498 897582284 /nfs/dbraw/zinc/58/22/84/897582284.db2.gz QTJVNXXLLHRMGW-FRRDWIJNSA-N 2 2 296.415 -0.204 20 0 CBADLP COC[C@@H](O)C[NH+]1CC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001375695175 897590897 /nfs/dbraw/zinc/59/08/97/897590897.db2.gz CANOXGVLRZSFCU-KBPBESRZSA-N 2 2 299.415 -0.379 20 0 CBADLP COC[C@@H](O)C[NH+]1CC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001375695175 897590910 /nfs/dbraw/zinc/59/09/10/897590910.db2.gz CANOXGVLRZSFCU-KBPBESRZSA-N 2 2 299.415 -0.379 20 0 CBADLP COC[C@@H](O)C[NH+]1CC(N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001375700345 897595582 /nfs/dbraw/zinc/59/55/82/897595582.db2.gz DJYZBUGOTSHMKR-JSGCOSHPSA-N 2 2 299.415 -0.522 20 0 CBADLP COC[C@@H](O)C[NH+]1CC(N(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001375700345 897595594 /nfs/dbraw/zinc/59/55/94/897595594.db2.gz DJYZBUGOTSHMKR-JSGCOSHPSA-N 2 2 299.415 -0.522 20 0 CBADLP CNC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@@H](C)C1 ZINC001375747551 897601551 /nfs/dbraw/zinc/60/15/51/897601551.db2.gz RTXJYYWTPNZLFK-QWRGUYRKSA-N 2 2 293.371 -0.333 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001376058562 897644922 /nfs/dbraw/zinc/64/49/22/897644922.db2.gz KKGURTFWTMXTCN-NEPJUHHUSA-N 2 2 296.415 -0.075 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001376058562 897644932 /nfs/dbraw/zinc/64/49/32/897644932.db2.gz KKGURTFWTMXTCN-NEPJUHHUSA-N 2 2 296.415 -0.075 20 0 CBADLP CCCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001376155955 897676574 /nfs/dbraw/zinc/67/65/74/897676574.db2.gz QYJDJZDGGFNXLU-STQMWFEESA-N 2 2 296.415 -0.345 20 0 CBADLP CCCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001376155955 897676584 /nfs/dbraw/zinc/67/65/84/897676584.db2.gz QYJDJZDGGFNXLU-STQMWFEESA-N 2 2 296.415 -0.345 20 0 CBADLP CCCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001376155955 897676597 /nfs/dbraw/zinc/67/65/97/897676597.db2.gz QYJDJZDGGFNXLU-STQMWFEESA-N 2 2 296.415 -0.345 20 0 CBADLP CCCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001376155955 897676605 /nfs/dbraw/zinc/67/66/05/897676605.db2.gz QYJDJZDGGFNXLU-STQMWFEESA-N 2 2 296.415 -0.345 20 0 CBADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1(O)C[NH+](C[C@@H](C)O)C1 ZINC001376183812 897683110 /nfs/dbraw/zinc/68/31/10/897683110.db2.gz QPVXQPRMEDPWBG-CHWSQXEVSA-N 2 2 299.415 -0.596 20 0 CBADLP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1(O)C[NH+](C[C@@H](C)O)C1 ZINC001376183812 897683114 /nfs/dbraw/zinc/68/31/14/897683114.db2.gz QPVXQPRMEDPWBG-CHWSQXEVSA-N 2 2 299.415 -0.596 20 0 CBADLP COC[C@@H](C)[NH+]1CC(O)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001376187317 897683406 /nfs/dbraw/zinc/68/34/06/897683406.db2.gz SJGPYGBZWWMLHV-GFCCVEGCSA-N 2 2 299.415 -0.332 20 0 CBADLP CNC(=O)C[NH2+][C@H](CNC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001376244639 897699371 /nfs/dbraw/zinc/69/93/71/897699371.db2.gz KVHQHXKCWXFJAU-LLVKDONJSA-N 2 2 279.344 -0.817 20 0 CBADLP CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001376403120 897727952 /nfs/dbraw/zinc/72/79/52/897727952.db2.gz QKUTYUROMKXJPL-IJLUTSLNSA-N 2 2 293.371 -0.183 20 0 CBADLP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1)C(=O)N(C)C ZINC001376420348 897729890 /nfs/dbraw/zinc/72/98/90/897729890.db2.gz CRGSARIERVUEBY-IJLUTSLNSA-N 2 2 293.371 -0.403 20 0 CBADLP COC[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001376485687 897756408 /nfs/dbraw/zinc/75/64/08/897756408.db2.gz BPRMZRKVXWLDRK-LOWVWBTDSA-N 2 2 296.371 -0.793 20 0 CBADLP C[C@@H](CNC(=O)CCn1cc[nH+]c1)[NH2+][C@H]1CCCNC1=O ZINC001376777705 897842428 /nfs/dbraw/zinc/84/24/28/897842428.db2.gz NUQROQLQQPMQFM-RYUDHWBXSA-N 2 2 293.371 -0.354 20 0 CBADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CC(=O)N1CCC1 ZINC001376820980 897858036 /nfs/dbraw/zinc/85/80/36/897858036.db2.gz FYBSASYGMINAPL-SNVBAGLBSA-N 2 2 279.344 -0.721 20 0 CBADLP C[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CCO1 ZINC001376843450 897867338 /nfs/dbraw/zinc/86/73/38/897867338.db2.gz DYVWLLRORKSYFG-DGCLKSJQSA-N 2 2 296.371 -0.840 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC[C@@H](C)[NH2+]Cc1cnon1 ZINC001376864175 897876599 /nfs/dbraw/zinc/87/65/99/897876599.db2.gz IZEJELWWKVERNO-SECBINFHSA-N 2 2 278.316 -0.131 20 0 CBADLP CC[C@@H](C(=O)N[C@H]1COC2(C[NH+](CCOC)C2)C1)[NH+](C)C ZINC001377084291 897926036 /nfs/dbraw/zinc/92/60/36/897926036.db2.gz OMDUXTDWHGRHFD-OLZOCXBDSA-N 2 2 299.415 -0.068 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCC[C@H](C)[NH2+][C@@H](C)C(N)=O ZINC001377091680 897929293 /nfs/dbraw/zinc/92/92/93/897929293.db2.gz ARVRGGKSLTZMHP-WPRPVWTQSA-N 2 2 281.360 -0.381 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCC[C@H](C)[NH2+][C@H](C)C(N)=O ZINC001377091675 897929922 /nfs/dbraw/zinc/92/99/22/897929922.db2.gz ARVRGGKSLTZMHP-WCBMZHEXSA-N 2 2 281.360 -0.381 20 0 CBADLP C[C@H](CCNC(=O)Cc1c[nH+]cn1C)[NH2+][C@H](C)C(N)=O ZINC001377109972 897933294 /nfs/dbraw/zinc/93/32/94/897933294.db2.gz YYHDDWAKILGUCX-NXEZZACHSA-N 2 2 281.360 -0.679 20 0 CBADLP CNC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001377231841 897977121 /nfs/dbraw/zinc/97/71/21/897977121.db2.gz VMZHEHPHKLHEEF-RYUDHWBXSA-N 2 2 284.404 -0.347 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001377231841 897977134 /nfs/dbraw/zinc/97/71/34/897977134.db2.gz VMZHEHPHKLHEEF-RYUDHWBXSA-N 2 2 284.404 -0.347 20 0 CBADLP CNC(=O)[C@H](C)[NH+](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001377231841 897977144 /nfs/dbraw/zinc/97/71/44/897977144.db2.gz VMZHEHPHKLHEEF-RYUDHWBXSA-N 2 2 284.404 -0.347 20 0 CBADLP CNC(=O)[C@H](C)[NH+](C)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001377231841 897977148 /nfs/dbraw/zinc/97/71/48/897977148.db2.gz VMZHEHPHKLHEEF-RYUDHWBXSA-N 2 2 284.404 -0.347 20 0 CBADLP C[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)CC(=O)NCC1CC1 ZINC001377261518 897990303 /nfs/dbraw/zinc/99/03/03/897990303.db2.gz PVRQFLLMPYGZGM-ZDUSSCGKSA-N 2 2 296.415 -0.488 20 0 CBADLP C[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)CC(=O)NCC1CC1 ZINC001377261518 897990310 /nfs/dbraw/zinc/99/03/10/897990310.db2.gz PVRQFLLMPYGZGM-ZDUSSCGKSA-N 2 2 296.415 -0.488 20 0 CBADLP C[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)CC(=O)NCC1CC1 ZINC001377261518 897990318 /nfs/dbraw/zinc/99/03/18/897990318.db2.gz PVRQFLLMPYGZGM-ZDUSSCGKSA-N 2 2 296.415 -0.488 20 0 CBADLP C[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)CC(=O)NCC1CC1 ZINC001377261518 897990325 /nfs/dbraw/zinc/99/03/25/897990325.db2.gz PVRQFLLMPYGZGM-ZDUSSCGKSA-N 2 2 296.415 -0.488 20 0 CBADLP CC[N@H+](C)CCC(=O)N[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001377329635 898016523 /nfs/dbraw/zinc/01/65/23/898016523.db2.gz ZFYYUDGSTOYNCW-GFCCVEGCSA-N 2 2 295.387 -0.154 20 0 CBADLP CC[N@@H+](C)CCC(=O)N[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001377329635 898016538 /nfs/dbraw/zinc/01/65/38/898016538.db2.gz ZFYYUDGSTOYNCW-GFCCVEGCSA-N 2 2 295.387 -0.154 20 0 CBADLP COC[C@H](O)C[N@@H+]1CCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001377429609 898044955 /nfs/dbraw/zinc/04/49/55/898044955.db2.gz ZGEPXOOCWWJMSZ-QWHCGFSZSA-N 2 2 296.371 -0.529 20 0 CBADLP COC[C@H](O)C[N@H+]1CCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001377429609 898044966 /nfs/dbraw/zinc/04/49/66/898044966.db2.gz ZGEPXOOCWWJMSZ-QWHCGFSZSA-N 2 2 296.371 -0.529 20 0 CBADLP COC[C@@H](O)C[N@@H+]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001377455635 898054114 /nfs/dbraw/zinc/05/41/14/898054114.db2.gz BTKWITWMNKQFOX-YPMHNXCESA-N 2 2 296.371 -0.602 20 0 CBADLP COC[C@@H](O)C[N@H+]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001377455635 898054129 /nfs/dbraw/zinc/05/41/29/898054129.db2.gz BTKWITWMNKQFOX-YPMHNXCESA-N 2 2 296.371 -0.602 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CC[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001377449021 898055568 /nfs/dbraw/zinc/05/55/68/898055568.db2.gz UPEJANVGLIEWRA-NEPJUHHUSA-N 2 2 293.371 -0.415 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CC[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001377449021 898055581 /nfs/dbraw/zinc/05/55/81/898055581.db2.gz UPEJANVGLIEWRA-NEPJUHHUSA-N 2 2 293.371 -0.415 20 0 CBADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)NC(=O)C[NH+]1CCCC1 ZINC001377635750 898108996 /nfs/dbraw/zinc/10/89/96/898108996.db2.gz QFNBGMQXRSKLJA-LBPRGKRZSA-N 2 2 293.371 -0.400 20 0 CBADLP NC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001377717644 898119769 /nfs/dbraw/zinc/11/97/69/898119769.db2.gz MPDNWWAHZIEOCC-SNVBAGLBSA-N 2 2 279.344 -0.734 20 0 CBADLP NC(=O)C[N@H+]1CC[C@@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001377717644 898119783 /nfs/dbraw/zinc/11/97/83/898119783.db2.gz MPDNWWAHZIEOCC-SNVBAGLBSA-N 2 2 279.344 -0.734 20 0 CBADLP C[C@@H](CNC(=O)C[NH+]1CCCC1)NC(=O)Cn1cc[nH+]c1 ZINC001377769788 898132368 /nfs/dbraw/zinc/13/23/68/898132368.db2.gz DZEAZAXCXQDXQQ-LBPRGKRZSA-N 2 2 293.371 -0.400 20 0 CBADLP C[C@@H]([NH2+]CC(=O)NC1CC1)[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001377854486 898146514 /nfs/dbraw/zinc/14/65/14/898146514.db2.gz DYLLHNBLTIXJQM-ZJUUUORDSA-N 2 2 293.371 -0.286 20 0 CBADLP CC(C)NC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001377855648 898146757 /nfs/dbraw/zinc/14/67/57/898146757.db2.gz GHCJRDISFBIJQA-WDEREUQCSA-N 2 2 295.387 -0.040 20 0 CBADLP CC(C)NC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001377855645 898147214 /nfs/dbraw/zinc/14/72/14/898147214.db2.gz GHCJRDISFBIJQA-GHMZBOCLSA-N 2 2 295.387 -0.040 20 0 CBADLP C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)[C@H](C)[NH2+]CC(=O)NC1CC1 ZINC001377854483 898147345 /nfs/dbraw/zinc/14/73/45/898147345.db2.gz DYLLHNBLTIXJQM-VHSXEESVSA-N 2 2 293.371 -0.286 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CC(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001378014204 898197638 /nfs/dbraw/zinc/19/76/38/898197638.db2.gz DUTDBJJTHGYCLN-MNOVXSKESA-N 2 2 282.388 -0.750 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CC(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001378014204 898197647 /nfs/dbraw/zinc/19/76/47/898197647.db2.gz DUTDBJJTHGYCLN-MNOVXSKESA-N 2 2 282.388 -0.750 20 0 CBADLP C[N@@H+]1CC[C@H](CC(=O)NCC2C[NH+]([C@H]3CCNC3=O)C2)C1 ZINC001378015093 898198598 /nfs/dbraw/zinc/19/85/98/898198598.db2.gz HDGVEWANEFDKDJ-YPMHNXCESA-N 2 2 294.399 -0.735 20 0 CBADLP C[N@H+]1CC[C@H](CC(=O)NCC2C[NH+]([C@H]3CCNC3=O)C2)C1 ZINC001378015093 898198606 /nfs/dbraw/zinc/19/86/06/898198606.db2.gz HDGVEWANEFDKDJ-YPMHNXCESA-N 2 2 294.399 -0.735 20 0 CBADLP CC[N@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[NH+]2[C@@H]1CCNC1=O ZINC001378043010 898211167 /nfs/dbraw/zinc/21/11/67/898211167.db2.gz BIJDLLWIHNTIKP-RWMBFGLXSA-N 2 2 294.399 -0.498 20 0 CBADLP CC[N@@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[NH+]2[C@@H]1CCNC1=O ZINC001378043010 898211185 /nfs/dbraw/zinc/21/11/85/898211185.db2.gz BIJDLLWIHNTIKP-RWMBFGLXSA-N 2 2 294.399 -0.498 20 0 CBADLP CC[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H]1CCNC1=O ZINC001378043010 898211199 /nfs/dbraw/zinc/21/11/99/898211199.db2.gz BIJDLLWIHNTIKP-RWMBFGLXSA-N 2 2 294.399 -0.498 20 0 CBADLP CC[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCNC1=O ZINC001378043010 898211217 /nfs/dbraw/zinc/21/12/17/898211217.db2.gz BIJDLLWIHNTIKP-RWMBFGLXSA-N 2 2 294.399 -0.498 20 0 CBADLP CC(C)OCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001378051783 898216705 /nfs/dbraw/zinc/21/67/05/898216705.db2.gz PLNIZGJZXPDCRK-UONOGXRCSA-N 2 2 299.415 -0.068 20 0 CBADLP CC(C)OCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001378051783 898216720 /nfs/dbraw/zinc/21/67/20/898216720.db2.gz PLNIZGJZXPDCRK-UONOGXRCSA-N 2 2 299.415 -0.068 20 0 CBADLP CC(C)OCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001378051783 898216737 /nfs/dbraw/zinc/21/67/37/898216737.db2.gz PLNIZGJZXPDCRK-UONOGXRCSA-N 2 2 299.415 -0.068 20 0 CBADLP CC(C)OCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001378051783 898216754 /nfs/dbraw/zinc/21/67/54/898216754.db2.gz PLNIZGJZXPDCRK-UONOGXRCSA-N 2 2 299.415 -0.068 20 0 CBADLP CC[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]CC(=O)NC ZINC001378256973 898296939 /nfs/dbraw/zinc/29/69/39/898296939.db2.gz KOAOLLIVYGFNQL-HBNTYKKESA-N 2 2 293.371 -0.256 20 0 CBADLP CC[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[NH2+]CC(=O)NC ZINC001378256973 898296956 /nfs/dbraw/zinc/29/69/56/898296956.db2.gz KOAOLLIVYGFNQL-HBNTYKKESA-N 2 2 293.371 -0.256 20 0 CBADLP CC[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@H]1CCNC1=O ZINC001378306486 898307967 /nfs/dbraw/zinc/30/79/67/898307967.db2.gz BZAWRKKTFRTJKJ-UWVGGRQHSA-N 2 2 279.344 -0.675 20 0 CBADLP CC[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+][C@@H](C)C(=O)NC ZINC001378344164 898321580 /nfs/dbraw/zinc/32/15/80/898321580.db2.gz MJTQZEBYAMLUSG-QWRGUYRKSA-N 2 2 281.360 -0.498 20 0 CBADLP CNC(=O)C[NH2+]CC1(NC(=O)Cn2cc[nH+]c2)CCCC1 ZINC001378374743 898323400 /nfs/dbraw/zinc/32/34/00/898323400.db2.gz RDLIQUKVIZEMDT-UHFFFAOYSA-N 2 2 293.371 -0.352 20 0 CBADLP C[C@H](CNC(=O)CCn1cc[nH+]c1)C[NH2+]CC(=O)N(C)C ZINC001378594746 898363759 /nfs/dbraw/zinc/36/37/59/898363759.db2.gz QGXDIWICUKOINY-LBPRGKRZSA-N 2 2 295.387 -0.297 20 0 CBADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C[NH2+][C@H]1CCCNC1=O ZINC001378614491 898368754 /nfs/dbraw/zinc/36/87/54/898368754.db2.gz PVXRKEJSZGVTQU-PWSUYJOCSA-N 2 2 293.371 -0.427 20 0 CBADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)C[NH2+]CC(=O)N1CCC1 ZINC001378618068 898370705 /nfs/dbraw/zinc/37/07/05/898370705.db2.gz SAHYDFMBFYYBOP-LLVKDONJSA-N 2 2 293.371 -0.474 20 0 CBADLP C[C@H]([NH2+]C1(CNC(=O)Cn2cc[nH+]c2)CCCC1)C(N)=O ZINC001378713417 898395764 /nfs/dbraw/zinc/39/57/64/898395764.db2.gz BXTHAPMSRDKYSH-NSHDSACASA-N 2 2 293.371 -0.225 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CCO[C@H]([C@H](C)[NH2+]CCO)C1 ZINC001378772703 898409838 /nfs/dbraw/zinc/40/98/38/898409838.db2.gz ZCDZRVCUHJAKBE-AAEUAGOBSA-N 2 2 296.371 -0.542 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@H](C)C[NH2+][C@@H]1CCNC1=O ZINC001378853473 898422378 /nfs/dbraw/zinc/42/23/78/898422378.db2.gz ZLMLEBQCPJLMPB-MWLCHTKSSA-N 2 2 293.371 -0.414 20 0 CBADLP CN(C)C(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001378875307 898427292 /nfs/dbraw/zinc/42/72/92/898427292.db2.gz QVUTYLSSRDAGTJ-XYPYZODXSA-N 2 2 293.371 -0.475 20 0 CBADLP C[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)C1)C(N)=O ZINC001378870107 898428205 /nfs/dbraw/zinc/42/82/05/898428205.db2.gz KSTUJKWHJRNFGC-GMTAPVOTSA-N 2 2 293.371 -0.679 20 0 CBADLP CN(CC[N@H+](C)CC(N)=O)C(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001379070602 898459054 /nfs/dbraw/zinc/45/90/54/898459054.db2.gz BEBZCHXKXJWJKW-STQMWFEESA-N 2 2 296.415 -0.121 20 0 CBADLP CN(CC[N@@H+](C)CC(N)=O)C(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001379070602 898459063 /nfs/dbraw/zinc/45/90/63/898459063.db2.gz BEBZCHXKXJWJKW-STQMWFEESA-N 2 2 296.415 -0.121 20 0 CBADLP CN(CC[NH+](C)CC(N)=O)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001379070602 898459073 /nfs/dbraw/zinc/45/90/73/898459073.db2.gz BEBZCHXKXJWJKW-STQMWFEESA-N 2 2 296.415 -0.121 20 0 CBADLP CN(CC[NH+](C)CC(N)=O)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001379070602 898459079 /nfs/dbraw/zinc/45/90/79/898459079.db2.gz BEBZCHXKXJWJKW-STQMWFEESA-N 2 2 296.415 -0.121 20 0 CBADLP CNC(=O)C[N@H+](C)CCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001379088028 898463305 /nfs/dbraw/zinc/46/33/05/898463305.db2.gz GEZFJBNRGAALJE-UHFFFAOYSA-N 2 2 284.404 -0.536 20 0 CBADLP CNC(=O)C[N@@H+](C)CCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001379088028 898463309 /nfs/dbraw/zinc/46/33/09/898463309.db2.gz GEZFJBNRGAALJE-UHFFFAOYSA-N 2 2 284.404 -0.536 20 0 CBADLP CC[C@@H](C(=O)N(C)CC[N@H+](C)CC(=O)N1CCC1)[NH+](C)C ZINC001379096780 898466660 /nfs/dbraw/zinc/46/66/60/898466660.db2.gz IVXWUTUCTVWFLS-ZDUSSCGKSA-N 2 2 298.431 -0.051 20 0 CBADLP CC[C@@H](C(=O)N(C)CC[N@@H+](C)CC(=O)N1CCC1)[NH+](C)C ZINC001379096780 898466666 /nfs/dbraw/zinc/46/66/66/898466666.db2.gz IVXWUTUCTVWFLS-ZDUSSCGKSA-N 2 2 298.431 -0.051 20 0 CBADLP CC[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1nnc(C)[nH]1)[NH+](C)C ZINC001379216932 898508990 /nfs/dbraw/zinc/50/89/90/898508990.db2.gz ITVFBLXFWYYMCK-WDEREUQCSA-N 2 2 298.391 -0.980 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]Cc1cnsn1 ZINC001379220998 898512575 /nfs/dbraw/zinc/51/25/75/898512575.db2.gz GISMYYYNJRCFQP-GHMZBOCLSA-N 2 2 299.400 -0.801 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]Cc1cnsn1 ZINC001379220998 898512585 /nfs/dbraw/zinc/51/25/85/898512585.db2.gz GISMYYYNJRCFQP-GHMZBOCLSA-N 2 2 299.400 -0.801 20 0 CBADLP CC[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1nnc(C)o1)[NH+](C)C ZINC001379258986 898528896 /nfs/dbraw/zinc/52/88/96/898528896.db2.gz NJXQFOKEPLOZNO-MNOVXSKESA-N 2 2 299.375 -0.715 20 0 CBADLP CNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001379274210 898532469 /nfs/dbraw/zinc/53/24/69/898532469.db2.gz IRNBPPNHYBMKPH-JTQLQIEISA-N 2 2 281.360 -0.855 20 0 CBADLP C[C@@H]([NH2+][C@@H](C)CN(C)C(=O)Cc1c[nH+]cn1C)C(N)=O ZINC001379278316 898535003 /nfs/dbraw/zinc/53/50/03/898535003.db2.gz PCSDLRFUTTVSMJ-VHSXEESVSA-N 2 2 281.360 -0.727 20 0 CBADLP C[N@@H+]1CC[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2csnn2)C1 ZINC001379283157 898535767 /nfs/dbraw/zinc/53/57/67/898535767.db2.gz GRECUZDBUZTSOW-GXSJLCMTSA-N 2 2 299.400 -0.944 20 0 CBADLP C[N@H+]1CC[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2csnn2)C1 ZINC001379283157 898535774 /nfs/dbraw/zinc/53/57/74/898535774.db2.gz GRECUZDBUZTSOW-GXSJLCMTSA-N 2 2 299.400 -0.944 20 0 CBADLP C[C@H](F)CC[NH2+][C@H](CO)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001379486735 898635253 /nfs/dbraw/zinc/63/52/53/898635253.db2.gz YRCACWGMQOPPLW-ONGXEEELSA-N 2 2 272.324 -0.233 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@@H](CO)[NH2+]C[C@H]1CCCCO1 ZINC001379539875 898660551 /nfs/dbraw/zinc/66/05/51/898660551.db2.gz ODAGTTTUHCUQLZ-QWHCGFSZSA-N 2 2 296.371 -0.481 20 0 CBADLP C[C@@H](C[NH2+][C@@H](C)C(=O)N(C)C)NC(=O)Cc1c[nH+]cn1C ZINC001379580467 898672726 /nfs/dbraw/zinc/67/27/26/898672726.db2.gz HEVQLELWCNKPGX-QWRGUYRKSA-N 2 2 295.387 -0.466 20 0 CBADLP CNC(=O)[C@H](C)[N@H+](C)C[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001379717747 898707885 /nfs/dbraw/zinc/70/78/85/898707885.db2.gz FGGHZNDIFSJRHU-NEPJUHHUSA-N 2 2 295.387 -0.156 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001379717747 898707895 /nfs/dbraw/zinc/70/78/95/898707895.db2.gz FGGHZNDIFSJRHU-NEPJUHHUSA-N 2 2 295.387 -0.156 20 0 CBADLP NC(=O)C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001379802578 898736062 /nfs/dbraw/zinc/73/60/62/898736062.db2.gz GLTDUNVOYSDLQY-NWDGAFQWSA-N 2 2 293.371 -0.367 20 0 CBADLP CCN(C)C(=O)C[N@@H+]1CC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001380023732 898792526 /nfs/dbraw/zinc/79/25/26/898792526.db2.gz WXMYSGFLFSVSJK-ZDUSSCGKSA-N 2 2 298.431 -0.003 20 0 CBADLP CCN(C)C(=O)C[N@H+]1CC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001380023732 898792534 /nfs/dbraw/zinc/79/25/34/898792534.db2.gz WXMYSGFLFSVSJK-ZDUSSCGKSA-N 2 2 298.431 -0.003 20 0 CBADLP CC[C@H]([NH2+]C1(CNC(=O)Cc2c[nH+]cn2C)CC1)C(N)=O ZINC001380157039 898823523 /nfs/dbraw/zinc/82/35/23/898823523.db2.gz HYMQMZOKIFYUQX-NSHDSACASA-N 2 2 293.371 -0.535 20 0 CBADLP COC[C@@H](O)C[NH2+]C1CC(N(C)C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001380172751 898827531 /nfs/dbraw/zinc/82/75/31/898827531.db2.gz SFLNBZOIDSZUIL-MCIGGMRASA-N 2 2 296.371 -0.462 20 0 CBADLP CNC(=O)C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC001380272142 898844704 /nfs/dbraw/zinc/84/47/04/898844704.db2.gz STOKVUQDXNUNTJ-NEPJUHHUSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@@H]([NH2+]C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1)C(N)=O ZINC001380300976 898851497 /nfs/dbraw/zinc/85/14/97/898851497.db2.gz LRFYAZYTJSKRSM-MNOVXSKESA-N 2 2 279.344 -0.663 20 0 CBADLP CN(C)C(=O)C[N@@H+]1CC[C@@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001380374556 898868680 /nfs/dbraw/zinc/86/86/80/898868680.db2.gz HQHAFJGJYVJVNN-OAHLLOKOSA-N 2 2 296.415 -0.249 20 0 CBADLP CN(C)C(=O)C[N@H+]1CC[C@@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001380374556 898868695 /nfs/dbraw/zinc/86/86/95/898868695.db2.gz HQHAFJGJYVJVNN-OAHLLOKOSA-N 2 2 296.415 -0.249 20 0 CBADLP CNC(=O)C[NH2+]C[C@@]1(C)CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001380423030 898873133 /nfs/dbraw/zinc/87/31/33/898873133.db2.gz NABUKDKSNUNWNO-CQSZACIVSA-N 2 2 293.371 -0.474 20 0 CBADLP C[N@@H+]1CCC[C@H]1CCC(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001380599155 898916984 /nfs/dbraw/zinc/91/69/84/898916984.db2.gz AEGCFOJEPQWDOR-ZDUSSCGKSA-N 2 2 299.415 -0.594 20 0 CBADLP C[N@H+]1CCC[C@H]1CCC(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001380599155 898916990 /nfs/dbraw/zinc/91/69/90/898916990.db2.gz AEGCFOJEPQWDOR-ZDUSSCGKSA-N 2 2 299.415 -0.594 20 0 CBADLP CO[C@@H](C)C[NH+]1CC(O)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001380625288 898926340 /nfs/dbraw/zinc/92/63/40/898926340.db2.gz RLUUXJSLSOMZSN-LBPRGKRZSA-N 2 2 299.415 -0.474 20 0 CBADLP CCC[NH+]1CC(O)(CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001380651823 898928340 /nfs/dbraw/zinc/92/83/40/898928340.db2.gz YGKHKTWBDZSIEI-GFCCVEGCSA-N 2 2 285.388 -0.720 20 0 CBADLP CCC[NH+]1CC(O)(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001380651823 898928350 /nfs/dbraw/zinc/92/83/50/898928350.db2.gz YGKHKTWBDZSIEI-GFCCVEGCSA-N 2 2 285.388 -0.720 20 0 CBADLP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001380647372 898929111 /nfs/dbraw/zinc/92/91/11/898929111.db2.gz CYVQOVKPKXUGOS-BETUJISGSA-N 2 2 299.415 -0.596 20 0 CBADLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001380647372 898929119 /nfs/dbraw/zinc/92/91/19/898929119.db2.gz CYVQOVKPKXUGOS-BETUJISGSA-N 2 2 299.415 -0.596 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]([C@H](C)[NH2+]CC(N)=O)C1 ZINC001380661493 898931388 /nfs/dbraw/zinc/93/13/88/898931388.db2.gz CRDNQKRCWNOAIG-GXSJLCMTSA-N 2 2 293.371 -0.427 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]([C@@H](C)[NH2+]CC(N)=O)C1 ZINC001380661502 898931774 /nfs/dbraw/zinc/93/17/74/898931774.db2.gz CRDNQKRCWNOAIG-KOLCDFICSA-N 2 2 293.371 -0.427 20 0 CBADLP CO[C@@H](C)C[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001380910127 898969415 /nfs/dbraw/zinc/96/94/15/898969415.db2.gz CCRFIAZFZWBZAY-QWHCGFSZSA-N 2 2 296.371 -0.265 20 0 CBADLP CO[C@@H](C)C[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001380910131 898970583 /nfs/dbraw/zinc/97/05/83/898970583.db2.gz CCRFIAZFZWBZAY-STQMWFEESA-N 2 2 296.371 -0.265 20 0 CBADLP CNC(=O)C[N@H+](C)CCCN(C)C(=O)Cn1cc[nH+]c1C ZINC001380978452 898980134 /nfs/dbraw/zinc/98/01/34/898980134.db2.gz CWQSYTULERCUMT-UHFFFAOYSA-N 2 2 295.387 -0.282 20 0 CBADLP CNC(=O)C[N@@H+](C)CCCN(C)C(=O)Cn1cc[nH+]c1C ZINC001380978452 898980137 /nfs/dbraw/zinc/98/01/37/898980137.db2.gz CWQSYTULERCUMT-UHFFFAOYSA-N 2 2 295.387 -0.282 20 0 CBADLP CC(C)[NH+]1CCC(CO)(NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001381240472 899017356 /nfs/dbraw/zinc/01/73/56/899017356.db2.gz QDMJUBYFLHJHPO-CYBMUJFWSA-N 2 2 299.415 -0.332 20 0 CBADLP CC(C)[NH+]1CCC(CO)(NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001381240472 899017368 /nfs/dbraw/zinc/01/73/68/899017368.db2.gz QDMJUBYFLHJHPO-CYBMUJFWSA-N 2 2 299.415 -0.332 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@H](C)C1C[NH+]([C@H](C)C(N)=O)C1 ZINC001381832291 899117975 /nfs/dbraw/zinc/11/79/75/899117975.db2.gz WMIUWDHCYLVRCB-NXEZZACHSA-N 2 2 293.371 -0.498 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]Cc1cscn1 ZINC001382183165 899179945 /nfs/dbraw/zinc/17/99/45/899179945.db2.gz LFELPXVJFABFIW-PWSUYJOCSA-N 2 2 298.412 -0.196 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]Cc1cscn1 ZINC001382183165 899179954 /nfs/dbraw/zinc/17/99/54/899179954.db2.gz LFELPXVJFABFIW-PWSUYJOCSA-N 2 2 298.412 -0.196 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](CC(N)=O)[C@@H]1C ZINC001382342247 899253382 /nfs/dbraw/zinc/25/33/82/899253382.db2.gz FALOKNGTIPXNLO-VXGBXAGGSA-N 2 2 284.404 -0.219 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCC[NH+](CC(N)=O)[C@@H]1C ZINC001382342247 899253398 /nfs/dbraw/zinc/25/33/98/899253398.db2.gz FALOKNGTIPXNLO-VXGBXAGGSA-N 2 2 284.404 -0.219 20 0 CBADLP CC(C)[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](CC(N)=O)[C@@H]1C ZINC001382342247 899253411 /nfs/dbraw/zinc/25/34/11/899253411.db2.gz FALOKNGTIPXNLO-VXGBXAGGSA-N 2 2 284.404 -0.219 20 0 CBADLP CC(C)[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)[C@@H]1C ZINC001382342247 899253426 /nfs/dbraw/zinc/25/34/26/899253426.db2.gz FALOKNGTIPXNLO-VXGBXAGGSA-N 2 2 284.404 -0.219 20 0 CBADLP COC[C@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001382470668 899311357 /nfs/dbraw/zinc/31/13/57/899311357.db2.gz GZDCOMOGDRNCSR-NWDGAFQWSA-N 2 2 298.387 -0.262 20 0 CBADLP COC[C@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001382470668 899311365 /nfs/dbraw/zinc/31/13/65/899311365.db2.gz GZDCOMOGDRNCSR-NWDGAFQWSA-N 2 2 298.387 -0.262 20 0 CBADLP C[C@@H](O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001382476171 899311519 /nfs/dbraw/zinc/31/15/19/899311519.db2.gz VLGBDYRKTHJDTI-GHMZBOCLSA-N 2 2 284.360 -0.916 20 0 CBADLP C[C@@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001382476171 899311527 /nfs/dbraw/zinc/31/15/27/899311527.db2.gz VLGBDYRKTHJDTI-GHMZBOCLSA-N 2 2 284.360 -0.916 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@H](O)C[N@@H+](C)C[C@H](C)O ZINC001382485289 899318446 /nfs/dbraw/zinc/31/84/46/899318446.db2.gz VWTGSPQJGDUYAS-CMPLNLGQSA-N 2 2 298.387 -0.607 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@H](O)C[N@H+](C)C[C@H](C)O ZINC001382485289 899318456 /nfs/dbraw/zinc/31/84/56/899318456.db2.gz VWTGSPQJGDUYAS-CMPLNLGQSA-N 2 2 298.387 -0.607 20 0 CBADLP CC[C@@H](C(=O)N[C@@H](C)CNC(=O)Cn1cc[nH+]c1)[NH+](C)C ZINC001386335208 899652323 /nfs/dbraw/zinc/65/23/23/899652323.db2.gz HCIZRCCFUUWEDX-RYUDHWBXSA-N 2 2 295.387 -0.156 20 0 CBADLP CC[C@@H](C(=O)NC[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1)[NH+](C)C ZINC001386396992 899656497 /nfs/dbraw/zinc/65/64/97/899656497.db2.gz NRWJDZZAKARKEQ-MNOVXSKESA-N 2 2 295.387 -0.087 20 0 CBADLP CC[C@@H](C(=O)NC[C@H](C)NC(=O)Cc1[nH]cc[nH+]1)[NH+](C)C ZINC001386396999 899656814 /nfs/dbraw/zinc/65/68/14/899656814.db2.gz NRWJDZZAKARKEQ-QWRGUYRKSA-N 2 2 295.387 -0.087 20 0 CBADLP CCC[N@H+](C)CC(=O)NC[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001386998737 899741565 /nfs/dbraw/zinc/74/15/65/899741565.db2.gz WEPSFCZKPZYSLI-LLVKDONJSA-N 2 2 295.387 -0.085 20 0 CBADLP CCC[N@@H+](C)CC(=O)NC[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001386998737 899741569 /nfs/dbraw/zinc/74/15/69/899741569.db2.gz WEPSFCZKPZYSLI-LLVKDONJSA-N 2 2 295.387 -0.085 20 0 CBADLP CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001388638754 899896025 /nfs/dbraw/zinc/89/60/25/899896025.db2.gz IGGMMMQUQUNKTG-CHWSQXEVSA-N 2 2 298.431 -0.005 20 0 CBADLP CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001388638754 899896031 /nfs/dbraw/zinc/89/60/31/899896031.db2.gz IGGMMMQUQUNKTG-CHWSQXEVSA-N 2 2 298.431 -0.005 20 0 CBADLP CCC[N@H+](C)CC(=O)N1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC001389273491 899982976 /nfs/dbraw/zinc/98/29/76/899982976.db2.gz KNFLAZOOHOOJDZ-UHFFFAOYSA-N 2 2 293.371 -0.448 20 0 CBADLP CCC[N@@H+](C)CC(=O)N1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC001389273491 899982986 /nfs/dbraw/zinc/98/29/86/899982986.db2.gz KNFLAZOOHOOJDZ-UHFFFAOYSA-N 2 2 293.371 -0.448 20 0 CBADLP Cn1nncc1C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001389488537 900026299 /nfs/dbraw/zinc/02/62/99/900026299.db2.gz SMXISGYNBOZRTA-LLVKDONJSA-N 2 2 280.376 -0.543 20 0 CBADLP Cn1nncc1C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001389488537 900026311 /nfs/dbraw/zinc/02/63/11/900026311.db2.gz SMXISGYNBOZRTA-LLVKDONJSA-N 2 2 280.376 -0.543 20 0 CBADLP C[C@@H](CNC(=O)CCc1[nH]cc[nH+]1)NC(=O)CC[NH+](C)C ZINC001389494313 900030061 /nfs/dbraw/zinc/03/00/61/900030061.db2.gz DNRKFLIRQLCLOQ-NSHDSACASA-N 2 2 295.387 -0.085 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CCC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001390079942 900110792 /nfs/dbraw/zinc/11/07/92/900110792.db2.gz RBYOZPGHTAFFLN-NWDGAFQWSA-N 2 2 293.371 -0.415 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CCC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001390079942 900110795 /nfs/dbraw/zinc/11/07/95/900110795.db2.gz RBYOZPGHTAFFLN-NWDGAFQWSA-N 2 2 293.371 -0.415 20 0 CBADLP CNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001390424899 900156042 /nfs/dbraw/zinc/15/60/42/900156042.db2.gz VLMQQSKCMIMBJO-WDEREUQCSA-N 2 2 293.371 -0.714 20 0 CBADLP CC[C@H](C)NC(=O)C[NH2+][C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001390492879 900173155 /nfs/dbraw/zinc/17/31/55/900173155.db2.gz GJBBDNWYVIOLJI-QWRGUYRKSA-N 2 2 295.387 -0.039 20 0 CBADLP CC[C@@H](C)NC(=O)C[NH2+][C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001390492878 900173904 /nfs/dbraw/zinc/17/39/04/900173904.db2.gz GJBBDNWYVIOLJI-MNOVXSKESA-N 2 2 295.387 -0.039 20 0 CBADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001390540569 900186789 /nfs/dbraw/zinc/18/67/89/900186789.db2.gz GILDMNSRQQITQX-MNOVXSKESA-N 2 2 293.371 -0.356 20 0 CBADLP CCNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001390758310 900236883 /nfs/dbraw/zinc/23/68/83/900236883.db2.gz UEGFXKSPEBULLC-CYBMUJFWSA-N 2 2 296.415 -0.488 20 0 CBADLP CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001390758310 900236895 /nfs/dbraw/zinc/23/68/95/900236895.db2.gz UEGFXKSPEBULLC-CYBMUJFWSA-N 2 2 296.415 -0.488 20 0 CBADLP Cn1nccc1C[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001390858680 900264591 /nfs/dbraw/zinc/26/45/91/900264591.db2.gz FWJZCJBCXZTFLO-LBPRGKRZSA-N 2 2 279.388 -0.080 20 0 CBADLP Cn1nccc1C[N@@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001390858680 900264606 /nfs/dbraw/zinc/26/46/06/900264606.db2.gz FWJZCJBCXZTFLO-LBPRGKRZSA-N 2 2 279.388 -0.080 20 0 CBADLP Cn1nccc1C[NH+](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001390858680 900264617 /nfs/dbraw/zinc/26/46/17/900264617.db2.gz FWJZCJBCXZTFLO-LBPRGKRZSA-N 2 2 279.388 -0.080 20 0 CBADLP Cn1nccc1C[NH+](C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001390858680 900264629 /nfs/dbraw/zinc/26/46/29/900264629.db2.gz FWJZCJBCXZTFLO-LBPRGKRZSA-N 2 2 279.388 -0.080 20 0 CBADLP CC[N@H+](CCNC(=O)Cn1cc[nH+]c1C)[C@H](C)C(N)=O ZINC001391022796 900294055 /nfs/dbraw/zinc/29/40/55/900294055.db2.gz MFUJEIQDXQMXTJ-SNVBAGLBSA-N 2 2 281.360 -0.497 20 0 CBADLP CC[N@@H+](CCNC(=O)Cn1cc[nH+]c1C)[C@H](C)C(N)=O ZINC001391022796 900294061 /nfs/dbraw/zinc/29/40/61/900294061.db2.gz MFUJEIQDXQMXTJ-SNVBAGLBSA-N 2 2 281.360 -0.497 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CC[NH2+][C@@H](C)C(N)=O ZINC001391211248 900338759 /nfs/dbraw/zinc/33/87/59/900338759.db2.gz HFLXOYWXKPBZJF-ZJUUUORDSA-N 2 2 281.360 -0.490 20 0 CBADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CC[NH2+][C@@H](C)C(N)=O ZINC001391211248 900338770 /nfs/dbraw/zinc/33/87/70/900338770.db2.gz HFLXOYWXKPBZJF-ZJUUUORDSA-N 2 2 281.360 -0.490 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2[C@H](C)C(N)=O ZINC001391256910 900348343 /nfs/dbraw/zinc/34/83/43/900348343.db2.gz SYZPDUKFAYLWLZ-UPJWGTAASA-N 2 2 296.415 -0.124 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2[C@H](C)C(N)=O ZINC001391256910 900348353 /nfs/dbraw/zinc/34/83/53/900348353.db2.gz SYZPDUKFAYLWLZ-UPJWGTAASA-N 2 2 296.415 -0.124 20 0 CBADLP CC(C)[NH+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)C(N)=O ZINC001391256910 900348360 /nfs/dbraw/zinc/34/83/60/900348360.db2.gz SYZPDUKFAYLWLZ-UPJWGTAASA-N 2 2 296.415 -0.124 20 0 CBADLP CC(C)[NH+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(N)=O ZINC001391256910 900348369 /nfs/dbraw/zinc/34/83/69/900348369.db2.gz SYZPDUKFAYLWLZ-UPJWGTAASA-N 2 2 296.415 -0.124 20 0 CBADLP Cn1nncc1C[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001391379629 900365253 /nfs/dbraw/zinc/36/52/53/900365253.db2.gz DOOXCTZOQNJXRZ-GFCCVEGCSA-N 2 2 294.403 -0.153 20 0 CBADLP Cn1nncc1C[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001391379629 900365265 /nfs/dbraw/zinc/36/52/65/900365265.db2.gz DOOXCTZOQNJXRZ-GFCCVEGCSA-N 2 2 294.403 -0.153 20 0 CBADLP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1CCC[NH+](CC(N)=O)C1 ZINC001391389795 900366963 /nfs/dbraw/zinc/36/69/63/900366963.db2.gz WKNZZDAFSGVQFS-STQMWFEESA-N 2 2 296.415 -0.073 20 0 CBADLP C[N@H+]1CCC[C@H]1CCC(=O)N[C@H]1CCC[NH+](CC(N)=O)C1 ZINC001391389795 900366970 /nfs/dbraw/zinc/36/69/70/900366970.db2.gz WKNZZDAFSGVQFS-STQMWFEESA-N 2 2 296.415 -0.073 20 0 CBADLP C[NH+]1CCC[C@H]1CCC(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001391389795 900366980 /nfs/dbraw/zinc/36/69/80/900366980.db2.gz WKNZZDAFSGVQFS-STQMWFEESA-N 2 2 296.415 -0.073 20 0 CBADLP C[NH+]1CCC[C@H]1CCC(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001391389795 900366991 /nfs/dbraw/zinc/36/69/91/900366991.db2.gz WKNZZDAFSGVQFS-STQMWFEESA-N 2 2 296.415 -0.073 20 0 CBADLP COC[C@@H](O)C[NH+]1CC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001391420163 900374372 /nfs/dbraw/zinc/37/43/72/900374372.db2.gz IYHLFKHWNNSZKO-KGYLQXTDSA-N 2 2 285.388 -0.866 20 0 CBADLP COC[C@@H](O)C[NH+]1CC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001391420163 900374377 /nfs/dbraw/zinc/37/43/77/900374377.db2.gz IYHLFKHWNNSZKO-KGYLQXTDSA-N 2 2 285.388 -0.866 20 0 CBADLP COC[C@H](O)C[NH+]1CC(NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001391446280 900380089 /nfs/dbraw/zinc/38/00/89/900380089.db2.gz GRZLAJIMEDTCOQ-DGCLKSJQSA-N 2 2 285.388 -0.864 20 0 CBADLP CC[C@@H](C(=O)NCC1C[NH+](CC(N)=O)C1)[NH+](CC)CC ZINC001391502862 900397349 /nfs/dbraw/zinc/39/73/49/900397349.db2.gz OEGDDHLHLJXXAE-LBPRGKRZSA-N 2 2 284.404 -0.360 20 0 CBADLP CC(C)[C@@H](C(=O)NCC1C[NH+](CC(N)=O)C1)[NH+](C)C ZINC001391517619 900399045 /nfs/dbraw/zinc/39/90/45/900399045.db2.gz SDKRYGNVACEECG-LBPRGKRZSA-N 2 2 270.377 -0.894 20 0 CBADLP NC(=O)C[NH+]1CC(CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001391518138 900399720 /nfs/dbraw/zinc/39/97/20/900399720.db2.gz JJIRKPLWZVSZPB-UHFFFAOYSA-N 2 2 296.415 -0.214 20 0 CBADLP CNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001391527745 900402299 /nfs/dbraw/zinc/40/22/99/900402299.db2.gz XRHPCTOOUYTJHF-LLVKDONJSA-N 2 2 284.404 -0.491 20 0 CBADLP CNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001391527745 900402306 /nfs/dbraw/zinc/40/23/06/900402306.db2.gz XRHPCTOOUYTJHF-LLVKDONJSA-N 2 2 284.404 -0.491 20 0 CBADLP C[C@H](O)C[NH+]1CC(CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001391522005 900402342 /nfs/dbraw/zinc/40/23/42/900402342.db2.gz NDACYOXGERBUMF-NSHDSACASA-N 2 2 280.372 -0.219 20 0 CBADLP CCC[N@H+](C)CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2[C@H](C)C(=O)NC ZINC001391536764 900406229 /nfs/dbraw/zinc/40/62/29/900406229.db2.gz NNEBAAJJMHWOOS-AGIUHOORSA-N 2 2 296.415 -0.252 20 0 CBADLP CCC[N@@H+](C)CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2[C@H](C)C(=O)NC ZINC001391536764 900406242 /nfs/dbraw/zinc/40/62/42/900406242.db2.gz NNEBAAJJMHWOOS-AGIUHOORSA-N 2 2 296.415 -0.252 20 0 CBADLP CCC[NH+](C)CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H](C)C(=O)NC ZINC001391536764 900406250 /nfs/dbraw/zinc/40/62/50/900406250.db2.gz NNEBAAJJMHWOOS-AGIUHOORSA-N 2 2 296.415 -0.252 20 0 CBADLP CCC[NH+](C)CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H](C)C(=O)NC ZINC001391536764 900406273 /nfs/dbraw/zinc/40/62/73/900406273.db2.gz NNEBAAJJMHWOOS-AGIUHOORSA-N 2 2 296.415 -0.252 20 0 CBADLP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1CC[NH+](CC(N)=O)C1 ZINC001391554338 900409802 /nfs/dbraw/zinc/40/98/02/900409802.db2.gz WXSXPSRVQJTAFK-RYUDHWBXSA-N 2 2 282.388 -0.463 20 0 CBADLP C[N@H+]1CCC[C@H]1CCC(=O)N[C@H]1CC[NH+](CC(N)=O)C1 ZINC001391554338 900409805 /nfs/dbraw/zinc/40/98/05/900409805.db2.gz WXSXPSRVQJTAFK-RYUDHWBXSA-N 2 2 282.388 -0.463 20 0 CBADLP C[NH+]1CCC[C@H]1CCC(=O)N[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001391554338 900409809 /nfs/dbraw/zinc/40/98/09/900409809.db2.gz WXSXPSRVQJTAFK-RYUDHWBXSA-N 2 2 282.388 -0.463 20 0 CBADLP C[NH+]1CCC[C@H]1CCC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001391554338 900409810 /nfs/dbraw/zinc/40/98/10/900409810.db2.gz WXSXPSRVQJTAFK-RYUDHWBXSA-N 2 2 282.388 -0.463 20 0 CBADLP CCN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001391654378 900425177 /nfs/dbraw/zinc/42/51/77/900425177.db2.gz FBTOAYBMQMYOIE-LBPRGKRZSA-N 2 2 282.388 -0.510 20 0 CBADLP CCN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001391654378 900425187 /nfs/dbraw/zinc/42/51/87/900425187.db2.gz FBTOAYBMQMYOIE-LBPRGKRZSA-N 2 2 282.388 -0.510 20 0 CBADLP CC[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+][C@@H]1CCNC1=O ZINC001391757946 900444922 /nfs/dbraw/zinc/44/49/22/900444922.db2.gz OYTZIBAKIRBGPS-WDEREUQCSA-N 2 2 279.344 -0.744 20 0 CBADLP CC(C)[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@H]1CCNC1=O ZINC001392248218 900538105 /nfs/dbraw/zinc/53/81/05/900538105.db2.gz PBJOFBPBRXXYDD-RYUDHWBXSA-N 2 2 293.371 -0.429 20 0 CBADLP CNC(=O)C[NH2+][C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C(C)C ZINC001392248822 900538566 /nfs/dbraw/zinc/53/85/66/900538566.db2.gz QWQLYPOENORZRF-NSHDSACASA-N 2 2 281.360 -0.571 20 0 CBADLP CC(C)[C@@H](C(=O)N(C)CC[N@@H+](C)CC(N)=O)[NH+](C)C ZINC001392283099 900551870 /nfs/dbraw/zinc/55/18/70/900551870.db2.gz CNTZEEXZEXIBFD-LBPRGKRZSA-N 2 2 272.393 -0.552 20 0 CBADLP C[NH+](C)Cc1cc(C(=O)N2CC([NH2+][C@@H]3CCOC3)C2)no1 ZINC001456293261 914456963 /nfs/dbraw/zinc/45/69/63/914456963.db2.gz DDYFGVNSKMSFDB-SNVBAGLBSA-N 2 2 294.355 -0.061 20 0 CBADLP CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001392388956 900596513 /nfs/dbraw/zinc/59/65/13/900596513.db2.gz FVWLVVAZIGDJFF-ZIAGYGMSSA-N 2 2 299.415 -0.284 20 0 CBADLP CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001392388956 900596520 /nfs/dbraw/zinc/59/65/20/900596520.db2.gz FVWLVVAZIGDJFF-ZIAGYGMSSA-N 2 2 299.415 -0.284 20 0 CBADLP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](O)C[NH2+]Cc1ccon1 ZINC001392396910 900603254 /nfs/dbraw/zinc/60/32/54/900603254.db2.gz JVKVIDRWBWFQJE-OLZOCXBDSA-N 2 2 296.371 -0.274 20 0 CBADLP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H](O)C[NH2+]Cc1ccon1 ZINC001392396910 900603259 /nfs/dbraw/zinc/60/32/59/900603259.db2.gz JVKVIDRWBWFQJE-OLZOCXBDSA-N 2 2 296.371 -0.274 20 0 CBADLP CC[C@@H]([NH2+]C[C@@H](C)NC(=O)CCc1c[nH+]cn1C)C(N)=O ZINC001392531227 900646736 /nfs/dbraw/zinc/64/67/36/900646736.db2.gz LLXQIZGFXZFZCC-ZYHUDNBSSA-N 2 2 295.387 -0.289 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)C[NH2+]Cc2ccon2)C1 ZINC001392616569 900678220 /nfs/dbraw/zinc/67/82/20/900678220.db2.gz CHZVABFGOYRLDH-AAEUAGOBSA-N 2 2 296.371 -0.010 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C)C[NH2+]Cc2ccon2)C1 ZINC001392616569 900678227 /nfs/dbraw/zinc/67/82/27/900678227.db2.gz CHZVABFGOYRLDH-AAEUAGOBSA-N 2 2 296.371 -0.010 20 0 CBADLP CC(C)CNC(=O)C[NH2+]C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001392629361 900680860 /nfs/dbraw/zinc/68/08/60/900680860.db2.gz RYSBAJJMQYDFJY-LBPRGKRZSA-N 2 2 295.387 -0.250 20 0 CBADLP C[C@H](C[N@H+](C)[C@H]1CCNC1=O)NC(=O)Cn1cc[nH+]c1 ZINC001392728157 900714455 /nfs/dbraw/zinc/71/44/55/900714455.db2.gz WXHHVRRFRVTNKX-MNOVXSKESA-N 2 2 279.344 -0.792 20 0 CBADLP C[C@H](C[N@@H+](C)[C@H]1CCNC1=O)NC(=O)Cn1cc[nH+]c1 ZINC001392728157 900714461 /nfs/dbraw/zinc/71/44/61/900714461.db2.gz WXHHVRRFRVTNKX-MNOVXSKESA-N 2 2 279.344 -0.792 20 0 CBADLP C[C@@H](C[N@H+](C)[C@@H]1CCCNC1=O)NC(=O)Cn1cc[nH+]c1 ZINC001392727210 900714629 /nfs/dbraw/zinc/71/46/29/900714629.db2.gz VYWLNZIGZSKLTA-NWDGAFQWSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@@H](C[N@@H+](C)[C@@H]1CCCNC1=O)NC(=O)Cn1cc[nH+]c1 ZINC001392727210 900714634 /nfs/dbraw/zinc/71/46/34/900714634.db2.gz VYWLNZIGZSKLTA-NWDGAFQWSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@H]([NH2+]C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)C1CC1)C(N)=O ZINC001392765001 900721151 /nfs/dbraw/zinc/72/11/51/900721151.db2.gz NEHIQKBCTGQPFL-JOYOIKCWSA-N 2 2 293.371 -0.300 20 0 CBADLP C[C@H]([NH2+]C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)C1CC1)C(N)=O ZINC001392765001 900721160 /nfs/dbraw/zinc/72/11/60/900721160.db2.gz NEHIQKBCTGQPFL-JOYOIKCWSA-N 2 2 293.371 -0.300 20 0 CBADLP C[C@H](O)C[NH2+]C[C@@H](NC(=O)Cc1c[nH+]cn1C)C1CC1 ZINC001392799255 900726483 /nfs/dbraw/zinc/72/64/83/900726483.db2.gz KVKLYEGTWLGZGE-GXFFZTMASA-N 2 2 280.372 -0.172 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H](NC(=O)Cc1[nH]c[nH+]c1C)C1CC1 ZINC001392800168 900727836 /nfs/dbraw/zinc/72/78/36/900727836.db2.gz GWXFEHMCJZQYHG-GFCCVEGCSA-N 2 2 293.371 -0.509 20 0 CBADLP CN(C)C(=O)C[NH2+]C[C@H](NC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001392798372 900728031 /nfs/dbraw/zinc/72/80/31/900728031.db2.gz JSAFCAWOYHCCIV-NSHDSACASA-N 2 2 293.371 -0.475 20 0 CBADLP CN(C)C(=O)C[NH2+]C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001392798365 900728677 /nfs/dbraw/zinc/72/86/77/900728677.db2.gz JSAFCAWOYHCCIV-LLVKDONJSA-N 2 2 293.371 -0.475 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCC1([NH2+][C@@H](C)C(N)=O)CC1 ZINC001392948600 900766764 /nfs/dbraw/zinc/76/67/64/900766764.db2.gz MRCXPILXPGWJRB-VIFPVBQESA-N 2 2 279.344 -0.627 20 0 CBADLP CNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)Cc1c[nH+]cn1C ZINC001393049611 900786358 /nfs/dbraw/zinc/78/63/58/900786358.db2.gz BPUNYTXJYHLAFB-LLVKDONJSA-N 2 2 293.371 -0.711 20 0 CBADLP O=C(C[NH+]1CCCC1)NC[C@]1(O)CC[N@H+](CCF)C1 ZINC001393275172 900822360 /nfs/dbraw/zinc/82/23/60/900822360.db2.gz JTSPRFVXESHBLZ-CYBMUJFWSA-N 2 2 273.352 -0.395 20 0 CBADLP O=C(C[NH+]1CCCC1)NC[C@]1(O)CC[N@@H+](CCF)C1 ZINC001393275172 900822367 /nfs/dbraw/zinc/82/23/67/900822367.db2.gz JTSPRFVXESHBLZ-CYBMUJFWSA-N 2 2 273.352 -0.395 20 0 CBADLP COC[C@H](C)[NH+]1CC(O)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001393339599 900843715 /nfs/dbraw/zinc/84/37/15/900843715.db2.gz NLAHYWKFQULULT-LBPRGKRZSA-N 2 2 299.415 -0.474 20 0 CBADLP CC[C@H](C(=O)NCC1(O)C[NH+](CCCF)C1)[NH+](C)C ZINC001393362020 900845839 /nfs/dbraw/zinc/84/58/39/900845839.db2.gz SDJKQGHDOASWRF-LLVKDONJSA-N 2 2 275.368 -0.151 20 0 CBADLP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C[NH2+]CC(N)=O ZINC001393396671 900852550 /nfs/dbraw/zinc/85/25/50/900852550.db2.gz NVBFFJZWCOIJGT-UWVGGRQHSA-N 2 2 279.344 -0.878 20 0 CBADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C[NH2+]CC(N)=O ZINC001393396673 900852655 /nfs/dbraw/zinc/85/26/55/900852655.db2.gz NVBFFJZWCOIJGT-ZJUUUORDSA-N 2 2 279.344 -0.878 20 0 CBADLP C[C@@H](O)C[NH2+]CC1(O)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001393770146 900903861 /nfs/dbraw/zinc/90/38/61/900903861.db2.gz DNEDBMATIFVPKH-LLVKDONJSA-N 2 2 296.371 -0.724 20 0 CBADLP CC[NH+]1CCC(CO)(NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001393840306 900916239 /nfs/dbraw/zinc/91/62/39/900916239.db2.gz PCEXTEBKHNQJRL-GFCCVEGCSA-N 2 2 285.388 -0.720 20 0 CBADLP CC[NH+]1CCC(CO)(NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001393840306 900916253 /nfs/dbraw/zinc/91/62/53/900916253.db2.gz PCEXTEBKHNQJRL-GFCCVEGCSA-N 2 2 285.388 -0.720 20 0 CBADLP C[C@@H]([NH2+]CC(=O)N1CCC1)[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001393972853 900945026 /nfs/dbraw/zinc/94/50/26/900945026.db2.gz DZAUIVPXASKOAF-MNOVXSKESA-N 2 2 293.371 -0.333 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+](C)[C@@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001394135800 900986537 /nfs/dbraw/zinc/98/65/37/900986537.db2.gz XBLDMSUCUYWOGK-WDEREUQCSA-N 2 2 295.387 -0.237 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001394135800 900986549 /nfs/dbraw/zinc/98/65/49/900986549.db2.gz XBLDMSUCUYWOGK-WDEREUQCSA-N 2 2 295.387 -0.237 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC1(CCO)C[NH+](CC2CC2)C1 ZINC001394172050 900997647 /nfs/dbraw/zinc/99/76/47/900997647.db2.gz WGAVDAWTALDTHK-UHFFFAOYSA-N 2 2 278.356 -0.154 20 0 CBADLP NC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001394363862 901019169 /nfs/dbraw/zinc/01/91/69/901019169.db2.gz AVCOKRPVFOXCFU-HOMQSWHASA-N 2 2 279.344 -0.688 20 0 CBADLP NC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001394363862 901019181 /nfs/dbraw/zinc/01/91/81/901019181.db2.gz AVCOKRPVFOXCFU-HOMQSWHASA-N 2 2 279.344 -0.688 20 0 CBADLP CC[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1)C(N)=O ZINC001394375172 901021080 /nfs/dbraw/zinc/02/10/80/901021080.db2.gz TZDLZOQQPMWLRF-DCAQKATOSA-N 2 2 293.371 -0.300 20 0 CBADLP CNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001394487930 901038521 /nfs/dbraw/zinc/03/85/21/901038521.db2.gz CFPRTQJOPUOJIP-HBNTYKKESA-N 2 2 293.371 -0.304 20 0 CBADLP C[C@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)[NH2+]CC(=O)NC1CC1 ZINC001394537744 901047322 /nfs/dbraw/zinc/04/73/22/901047322.db2.gz YJGDTNQZPZRQMX-SNVBAGLBSA-N 2 2 293.371 -0.333 20 0 CBADLP CC[C@H](F)C[NH2+][C@@H](CO)CNC(=O)Cc1c[nH+]cn1C ZINC001394653856 901108661 /nfs/dbraw/zinc/10/86/61/901108661.db2.gz RCOUPDONOBQSHX-WDEREUQCSA-N 2 2 286.351 -0.223 20 0 CBADLP CC[C@@H](F)C[NH2+][C@H](CO)CNC(=O)Cc1c[nH+]cn1C ZINC001394653850 901108765 /nfs/dbraw/zinc/10/87/65/901108765.db2.gz RCOUPDONOBQSHX-MNOVXSKESA-N 2 2 286.351 -0.223 20 0 CBADLP CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001394741644 901136780 /nfs/dbraw/zinc/13/67/80/901136780.db2.gz JVBUGIWCMXWSFS-NWDGAFQWSA-N 2 2 280.372 -0.126 20 0 CBADLP CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001394741645 901137505 /nfs/dbraw/zinc/13/75/05/901137505.db2.gz JVBUGIWCMXWSFS-RYUDHWBXSA-N 2 2 280.372 -0.126 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@H](O)C[N@H+](C)CCCO ZINC001394780197 901153199 /nfs/dbraw/zinc/15/31/99/901153199.db2.gz DZINHECJAURRKN-GFCCVEGCSA-N 2 2 298.387 -0.606 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@H](O)C[N@@H+](C)CCCO ZINC001394780197 901153204 /nfs/dbraw/zinc/15/32/04/901153204.db2.gz DZINHECJAURRKN-GFCCVEGCSA-N 2 2 298.387 -0.606 20 0 CBADLP CNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001397176444 901373960 /nfs/dbraw/zinc/37/39/60/901373960.db2.gz SZSZUXAELZYSCH-WDEREUQCSA-N 2 2 293.371 -0.427 20 0 CBADLP CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](CC(N)=O)[C@@H]1C)[NH+](C)C ZINC001397266085 901384594 /nfs/dbraw/zinc/38/45/94/901384594.db2.gz QVWFKYBKGJHZLP-NTZNESFSSA-N 2 2 284.404 -0.363 20 0 CBADLP CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+](CC(N)=O)[C@@H]1C)[NH+](C)C ZINC001397266085 901384606 /nfs/dbraw/zinc/38/46/06/901384606.db2.gz QVWFKYBKGJHZLP-NTZNESFSSA-N 2 2 284.404 -0.363 20 0 CBADLP CN(C[C@@H]1CC[N@@H+]1[C@H]1CCNC1=O)C(=O)CCC[NH+](C)C ZINC001397551930 901429561 /nfs/dbraw/zinc/42/95/61/901429561.db2.gz YDXGRCAZXWEGMV-STQMWFEESA-N 2 2 296.415 -0.251 20 0 CBADLP CN(C[C@@H]1CC[N@H+]1[C@H]1CCNC1=O)C(=O)CCC[NH+](C)C ZINC001397551930 901429567 /nfs/dbraw/zinc/42/95/67/901429567.db2.gz YDXGRCAZXWEGMV-STQMWFEESA-N 2 2 296.415 -0.251 20 0 CBADLP CC[N@H+](C)CCC(=O)N(C)C[C@H]1CC[NH+]1CC(=O)NC ZINC001397559645 901430336 /nfs/dbraw/zinc/43/03/36/901430336.db2.gz SJNGWWYHBCZWFX-GFCCVEGCSA-N 2 2 284.404 -0.393 20 0 CBADLP CC[N@@H+](C)CCC(=O)N(C)C[C@H]1CC[NH+]1CC(=O)NC ZINC001397559645 901430341 /nfs/dbraw/zinc/43/03/41/901430341.db2.gz SJNGWWYHBCZWFX-GFCCVEGCSA-N 2 2 284.404 -0.393 20 0 CBADLP CC[NH+](C)CCC(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)NC ZINC001397559645 901430348 /nfs/dbraw/zinc/43/03/48/901430348.db2.gz SJNGWWYHBCZWFX-GFCCVEGCSA-N 2 2 284.404 -0.393 20 0 CBADLP CC[NH+](C)CCC(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)NC ZINC001397559645 901430356 /nfs/dbraw/zinc/43/03/56/901430356.db2.gz SJNGWWYHBCZWFX-GFCCVEGCSA-N 2 2 284.404 -0.393 20 0 CBADLP CN(C[C@@H]1CC[N@@H+]1[C@@H]1CCNC1=O)C(=O)CCC[NH+](C)C ZINC001397551927 901430413 /nfs/dbraw/zinc/43/04/13/901430413.db2.gz YDXGRCAZXWEGMV-QWHCGFSZSA-N 2 2 296.415 -0.251 20 0 CBADLP CN(C[C@@H]1CC[N@H+]1[C@@H]1CCNC1=O)C(=O)CCC[NH+](C)C ZINC001397551927 901430419 /nfs/dbraw/zinc/43/04/19/901430419.db2.gz YDXGRCAZXWEGMV-QWHCGFSZSA-N 2 2 296.415 -0.251 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N(C)CCNC(=O)Cn1cc[nH+]c1 ZINC001397947946 901481838 /nfs/dbraw/zinc/48/18/38/901481838.db2.gz COMURENEMHMBIE-UHFFFAOYSA-N 2 2 295.387 -0.202 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N(C)CCNC(=O)Cn1cc[nH+]c1 ZINC001397947946 901481846 /nfs/dbraw/zinc/48/18/46/901481846.db2.gz COMURENEMHMBIE-UHFFFAOYSA-N 2 2 295.387 -0.202 20 0 CBADLP CC(C)[C@@H](C(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1)[NH+](C)C ZINC001398228353 901507340 /nfs/dbraw/zinc/50/73/40/901507340.db2.gz ITZSAUGBHQMMCH-AAEUAGOBSA-N 2 2 284.404 -0.362 20 0 CBADLP CC(C)[C@@H](C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1)[NH+](C)C ZINC001398228353 901507347 /nfs/dbraw/zinc/50/73/47/901507347.db2.gz ITZSAUGBHQMMCH-AAEUAGOBSA-N 2 2 284.404 -0.362 20 0 CBADLP C[NH+](C)C1(C(=O)N[C@H]2CCC[N@H+](CC(N)=O)C2)CCC1 ZINC001398228781 901510262 /nfs/dbraw/zinc/51/02/62/901510262.db2.gz KFWTXBHEVKKWOB-NSHDSACASA-N 2 2 282.388 -0.463 20 0 CBADLP C[NH+](C)C1(C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)C2)CCC1 ZINC001398228781 901510268 /nfs/dbraw/zinc/51/02/68/901510268.db2.gz KFWTXBHEVKKWOB-NSHDSACASA-N 2 2 282.388 -0.463 20 0 CBADLP COC[C@@H](O)C[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001398285532 901517007 /nfs/dbraw/zinc/51/70/07/901517007.db2.gz FLHPZJMHKFFXMP-OLZOCXBDSA-N 2 2 296.371 -0.460 20 0 CBADLP COC[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001398285532 901517019 /nfs/dbraw/zinc/51/70/19/901517019.db2.gz FLHPZJMHKFFXMP-OLZOCXBDSA-N 2 2 296.371 -0.460 20 0 CBADLP COC[C@@H](O)C[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001398285532 901517032 /nfs/dbraw/zinc/51/70/32/901517032.db2.gz FLHPZJMHKFFXMP-OLZOCXBDSA-N 2 2 296.371 -0.460 20 0 CBADLP COC[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001398285532 901517045 /nfs/dbraw/zinc/51/70/45/901517045.db2.gz FLHPZJMHKFFXMP-OLZOCXBDSA-N 2 2 296.371 -0.460 20 0 CBADLP CC[C@H](C(=O)N[C@H]1CC[N@H+](Cc2cnnn2C)C1)[NH+](C)C ZINC001398305926 901523482 /nfs/dbraw/zinc/52/34/82/901523482.db2.gz DGJFDQHXFWASPY-WCQYABFASA-N 2 2 294.403 -0.154 20 0 CBADLP CC[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2cnnn2C)C1)[NH+](C)C ZINC001398305926 901523487 /nfs/dbraw/zinc/52/34/87/901523487.db2.gz DGJFDQHXFWASPY-WCQYABFASA-N 2 2 294.403 -0.154 20 0 CBADLP C[C@H]([NH2+]C[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1)C(N)=O ZINC001398743040 901600556 /nfs/dbraw/zinc/60/05/56/901600556.db2.gz OCGJRTGUNLHJMV-QWRGUYRKSA-N 2 2 293.371 -0.346 20 0 CBADLP Cc1oncc1C[NH2+][C@@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001398903478 901625622 /nfs/dbraw/zinc/62/56/22/901625622.db2.gz XNOUMTIDPZUIRY-GWCFXTLKSA-N 2 2 296.371 -0.092 20 0 CBADLP Cc1oncc1C[NH2+][C@@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001398903478 901625630 /nfs/dbraw/zinc/62/56/30/901625630.db2.gz XNOUMTIDPZUIRY-GWCFXTLKSA-N 2 2 296.371 -0.092 20 0 CBADLP Cc1noc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001399119003 901668938 /nfs/dbraw/zinc/66/89/38/901668938.db2.gz PCPKOKIPJNKNNT-GXSJLCMTSA-N 2 2 281.360 -0.076 20 0 CBADLP Cc1noc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001399119003 901668949 /nfs/dbraw/zinc/66/89/49/901668949.db2.gz PCPKOKIPJNKNNT-GXSJLCMTSA-N 2 2 281.360 -0.076 20 0 CBADLP C[C@@H](CCNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@H]1CCN(C)C1=O ZINC001399395979 901708657 /nfs/dbraw/zinc/70/86/57/901708657.db2.gz IUNMSDNEXQFEFZ-JQWIXIFHSA-N 2 2 293.371 -0.333 20 0 CBADLP C[N@H+](CCNC(=O)C(C)(C)[NH+]1CCCCC1)CC(N)=O ZINC001399499152 901739585 /nfs/dbraw/zinc/73/95/85/901739585.db2.gz RPFVSRFYNPLYRR-UHFFFAOYSA-N 2 2 284.404 -0.216 20 0 CBADLP C[N@@H+](CCNC(=O)C(C)(C)[NH+]1CCCCC1)CC(N)=O ZINC001399499152 901739593 /nfs/dbraw/zinc/73/95/93/901739593.db2.gz RPFVSRFYNPLYRR-UHFFFAOYSA-N 2 2 284.404 -0.216 20 0 CBADLP Cn1cc(CC[N@H+](C)CCNC(=O)Cc2c[nH]c[nH+]2)cn1 ZINC001399576723 901753067 /nfs/dbraw/zinc/75/30/67/901753067.db2.gz GNKZYWZXPLCNGS-UHFFFAOYSA-N 2 2 290.371 -0.024 20 0 CBADLP Cn1cc(CC[N@@H+](C)CCNC(=O)Cc2c[nH]c[nH+]2)cn1 ZINC001399576723 901753077 /nfs/dbraw/zinc/75/30/77/901753077.db2.gz GNKZYWZXPLCNGS-UHFFFAOYSA-N 2 2 290.371 -0.024 20 0 CBADLP CC[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)CC(=O)NC ZINC001399754202 901789373 /nfs/dbraw/zinc/78/93/73/901789373.db2.gz RQKZKVVUETUJJD-LBPRGKRZSA-N 2 2 284.404 -0.345 20 0 CBADLP CC[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)CC(=O)NC ZINC001399754202 901789387 /nfs/dbraw/zinc/78/93/87/901789387.db2.gz RQKZKVVUETUJJD-LBPRGKRZSA-N 2 2 284.404 -0.345 20 0 CBADLP CC[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)CC(=O)NC ZINC001399754202 901789394 /nfs/dbraw/zinc/78/93/94/901789394.db2.gz RQKZKVVUETUJJD-LBPRGKRZSA-N 2 2 284.404 -0.345 20 0 CBADLP CC[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1C)CC(=O)NC ZINC001399754202 901789408 /nfs/dbraw/zinc/78/94/08/901789408.db2.gz RQKZKVVUETUJJD-LBPRGKRZSA-N 2 2 284.404 -0.345 20 0 CBADLP CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001399879719 901823502 /nfs/dbraw/zinc/82/35/02/901823502.db2.gz PMFRLKYNFQNQQF-CHWSQXEVSA-N 2 2 296.415 -0.203 20 0 CBADLP CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001399879719 901823510 /nfs/dbraw/zinc/82/35/10/901823510.db2.gz PMFRLKYNFQNQQF-CHWSQXEVSA-N 2 2 296.415 -0.203 20 0 CBADLP CCNC(=O)C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001399879719 901823519 /nfs/dbraw/zinc/82/35/19/901823519.db2.gz PMFRLKYNFQNQQF-CHWSQXEVSA-N 2 2 296.415 -0.203 20 0 CBADLP CCNC(=O)C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001399879719 901823530 /nfs/dbraw/zinc/82/35/30/901823530.db2.gz PMFRLKYNFQNQQF-CHWSQXEVSA-N 2 2 296.415 -0.203 20 0 CBADLP CN(CC[NH2+][C@@H]1CCN(C)C1=O)C(=O)CCn1cc[nH+]c1 ZINC001400057675 901867204 /nfs/dbraw/zinc/86/72/04/901867204.db2.gz QXXUBDDFPWWGBV-GFCCVEGCSA-N 2 2 293.371 -0.448 20 0 CBADLP CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001400295064 901911648 /nfs/dbraw/zinc/91/16/48/901911648.db2.gz CPHUWBWDFCAUKS-LBPRGKRZSA-N 2 2 296.415 -0.345 20 0 CBADLP CNC(=O)C[N@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001400295064 901911654 /nfs/dbraw/zinc/91/16/54/901911654.db2.gz CPHUWBWDFCAUKS-LBPRGKRZSA-N 2 2 296.415 -0.345 20 0 CBADLP COC[C@H](O)C[NH+]1CC(NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001400431814 901938559 /nfs/dbraw/zinc/93/85/59/901938559.db2.gz PFDCQYFASJZKOB-CHWSQXEVSA-N 2 2 287.404 -0.620 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)C2([NH+](C)C)CCC2)C1 ZINC001400709189 902000525 /nfs/dbraw/zinc/00/05/25/902000525.db2.gz KVUDYIVMVIRPHN-RYUDHWBXSA-N 2 2 296.415 -0.123 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CC[C@H](N(C)C(=O)C2([NH+](C)C)CCC2)C1 ZINC001400709189 902000547 /nfs/dbraw/zinc/00/05/47/902000547.db2.gz KVUDYIVMVIRPHN-RYUDHWBXSA-N 2 2 296.415 -0.123 20 0 CBADLP CC[C@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+][C@@H](C)C(=O)NC ZINC001400810983 902021416 /nfs/dbraw/zinc/02/14/16/902021416.db2.gz YUVDPEZTVISOTJ-WDEREUQCSA-N 2 2 295.387 -0.039 20 0 CBADLP CC[C@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH2+][C@@H](C)C(=O)NC ZINC001400810983 902021424 /nfs/dbraw/zinc/02/14/24/902021424.db2.gz YUVDPEZTVISOTJ-WDEREUQCSA-N 2 2 295.387 -0.039 20 0 CBADLP Cc1cn(C(C)(C)C(=O)NC[C@H](C)C[NH2+]CC(N)=O)c[nH+]1 ZINC001401118144 902058797 /nfs/dbraw/zinc/05/87/97/902058797.db2.gz VUCUIDPFAVIFPB-SNVBAGLBSA-N 2 2 295.387 -0.246 20 0 CBADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)C[NH2+]CC(=O)N(C)C ZINC001401147757 902063327 /nfs/dbraw/zinc/06/33/27/902063327.db2.gz SHRQXNWKNLAGQQ-SNVBAGLBSA-N 2 2 281.360 -0.618 20 0 CBADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)C[NH2+]CC(=O)N(C)C ZINC001401147755 902064633 /nfs/dbraw/zinc/06/46/33/902064633.db2.gz SHRQXNWKNLAGQQ-JTQLQIEISA-N 2 2 281.360 -0.618 20 0 CBADLP C[C@@H](C[NH2+]CC(N)=O)N(C)C(=O)CCc1[nH+]ccn1C ZINC001401228531 902086271 /nfs/dbraw/zinc/08/62/71/902086271.db2.gz XNIIZXAUDQOLCU-JTQLQIEISA-N 2 2 281.360 -0.726 20 0 CBADLP C[C@H](C[NH2+]CC(N)=O)N(C)C(=O)CCc1[nH+]ccn1C ZINC001401228532 902087961 /nfs/dbraw/zinc/08/79/61/902087961.db2.gz XNIIZXAUDQOLCU-SNVBAGLBSA-N 2 2 281.360 -0.726 20 0 CBADLP CC(C)[C@H](CNC(=O)CC[NH+](C)C)[NH2+][C@@H]1CCN(C)C1=O ZINC001401330509 902105881 /nfs/dbraw/zinc/10/58/81/902105881.db2.gz AQPGAUMTXVQDNP-OLZOCXBDSA-N 2 2 298.431 -0.101 20 0 CBADLP CC(C)[C@@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+][C@H]1CCNC1=O ZINC001401351471 902107104 /nfs/dbraw/zinc/10/71/04/902107104.db2.gz HNKINVCNQOTIIB-QWHCGFSZSA-N 2 2 298.431 -0.055 20 0 CBADLP CC(C)[C@@H](CNC(=O)C[N@@H+](C)C(C)C)[NH2+][C@H]1CCNC1=O ZINC001401351471 902107108 /nfs/dbraw/zinc/10/71/08/902107108.db2.gz HNKINVCNQOTIIB-QWHCGFSZSA-N 2 2 298.431 -0.055 20 0 CBADLP CC[C@@H]([NH2+][C@@H](CNC(=O)Cn1cc[nH+]c1)C(C)C)C(N)=O ZINC001401359021 902109663 /nfs/dbraw/zinc/10/96/63/902109663.db2.gz XXCWOUJDUYPOJU-NEPJUHHUSA-N 2 2 295.387 -0.123 20 0 CBADLP CC[C@@H](C(=O)N(C)CC[N@H+](C)CC(=O)N(C)C)[NH+](C)C ZINC001401400786 902123754 /nfs/dbraw/zinc/12/37/54/902123754.db2.gz YYHCWNZDFIALDR-LBPRGKRZSA-N 2 2 286.420 -0.195 20 0 CBADLP CC[C@@H](C(=O)N(C)CC[N@@H+](C)CC(=O)N(C)C)[NH+](C)C ZINC001401400786 902123759 /nfs/dbraw/zinc/12/37/59/902123759.db2.gz YYHCWNZDFIALDR-LBPRGKRZSA-N 2 2 286.420 -0.195 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H](O)C[NH2+]Cc1ccns1 ZINC001401569522 902173434 /nfs/dbraw/zinc/17/34/34/902173434.db2.gz IFUHMLCZMMQUTK-SNVBAGLBSA-N 2 2 295.368 -0.324 20 0 CBADLP CCN(CC[NH2+][C@H](C)C(N)=O)C(=O)Cc1[nH]c[nH+]c1C ZINC001401596861 902180600 /nfs/dbraw/zinc/18/06/00/902180600.db2.gz PADHUQMJKHLJQM-SNVBAGLBSA-N 2 2 281.360 -0.427 20 0 CBADLP C[C@H](C[NH2+]CC(=O)NC(C)(C)C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001401647721 902203862 /nfs/dbraw/zinc/20/38/62/902203862.db2.gz INVDTVYLLZJRBX-SNVBAGLBSA-N 2 2 295.387 -0.039 20 0 CBADLP C[C@H](C[NH2+][C@H](C)C(=O)N(C)C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001401656003 902208966 /nfs/dbraw/zinc/20/89/66/902208966.db2.gz QVZUTQXLDJNYRM-NXEZZACHSA-N 2 2 281.360 -0.477 20 0 CBADLP C[C@H](C[NH2+][C@H](C)C(N)=O)NC(=O)CCCn1cc[nH+]c1 ZINC001401669998 902219589 /nfs/dbraw/zinc/21/95/89/902219589.db2.gz PTIXSUMGJKXHRS-GHMZBOCLSA-N 2 2 281.360 -0.369 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[NH2+]Cc1cn(C)nn1 ZINC001401689805 902230296 /nfs/dbraw/zinc/23/02/96/902230296.db2.gz IYPBSGKIITZTGD-JTQLQIEISA-N 2 2 291.359 -0.385 20 0 CBADLP C[C@@H](C[NH2+]Cc1ccn(C)n1)NC(=O)Cn1cc[nH+]c1 ZINC001401729403 902249218 /nfs/dbraw/zinc/24/92/18/902249218.db2.gz SXQYYWOITHROAB-NSHDSACASA-N 2 2 276.344 -0.089 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H](NC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001401863759 902291964 /nfs/dbraw/zinc/29/19/64/902291964.db2.gz DVHWLOZKMNSPGN-LLVKDONJSA-N 2 2 279.344 -0.887 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)CC[NH+](C)CC ZINC001401923705 902313310 /nfs/dbraw/zinc/31/33/10/902313310.db2.gz LUXIGMPSHIPSNQ-NWDGAFQWSA-N 2 2 284.404 -0.217 20 0 CBADLP CC[C@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)CC[NH+](C)CC ZINC001401923705 902313320 /nfs/dbraw/zinc/31/33/20/902313320.db2.gz LUXIGMPSHIPSNQ-NWDGAFQWSA-N 2 2 284.404 -0.217 20 0 CBADLP CC[C@H](C(N)=O)[NH+]1CC[C@H]1CNC(=O)CC[N@H+](C)CC ZINC001401923705 902313332 /nfs/dbraw/zinc/31/33/32/902313332.db2.gz LUXIGMPSHIPSNQ-NWDGAFQWSA-N 2 2 284.404 -0.217 20 0 CBADLP CC[C@H](C(N)=O)[NH+]1CC[C@H]1CNC(=O)CC[N@@H+](C)CC ZINC001401923705 902313340 /nfs/dbraw/zinc/31/33/40/902313340.db2.gz LUXIGMPSHIPSNQ-NWDGAFQWSA-N 2 2 284.404 -0.217 20 0 CBADLP O=C(NCC1([NH2+]CCO)CC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001401954022 902322280 /nfs/dbraw/zinc/32/22/80/902322280.db2.gz HQSYQAADZPQVPY-LLVKDONJSA-N 2 2 278.356 -0.324 20 0 CBADLP CCN(C)C(=O)C[NH2+]C1(CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001401969130 902328695 /nfs/dbraw/zinc/32/86/95/902328695.db2.gz HUBOJISTVURVIG-UHFFFAOYSA-N 2 2 293.371 -0.331 20 0 CBADLP Cn1nncc1C[NH2+]C1(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001401984275 902330069 /nfs/dbraw/zinc/33/00/69/902330069.db2.gz LBCKDWVJUVADBY-UHFFFAOYSA-N 2 2 289.343 -0.550 20 0 CBADLP CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001402084574 902350885 /nfs/dbraw/zinc/35/08/85/902350885.db2.gz XBMMBUTYPQAPIA-STQMWFEESA-N 2 2 296.415 -0.203 20 0 CBADLP CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001402084574 902350907 /nfs/dbraw/zinc/35/09/07/902350907.db2.gz XBMMBUTYPQAPIA-STQMWFEESA-N 2 2 296.415 -0.203 20 0 CBADLP CCNC(=O)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001402084574 902350922 /nfs/dbraw/zinc/35/09/22/902350922.db2.gz XBMMBUTYPQAPIA-STQMWFEESA-N 2 2 296.415 -0.203 20 0 CBADLP CCNC(=O)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001402084574 902350936 /nfs/dbraw/zinc/35/09/36/902350936.db2.gz XBMMBUTYPQAPIA-STQMWFEESA-N 2 2 296.415 -0.203 20 0 CBADLP C[C@H](O)C[NH2+]C1(CNC(=O)Cc2[nH]cc[nH+]2)CCOCC1 ZINC001402247673 902390854 /nfs/dbraw/zinc/39/08/54/902390854.db2.gz ZUMFMIMRKXFAGY-NSHDSACASA-N 2 2 296.371 -0.412 20 0 CBADLP C[C@@H](O)C[NH2+]C1(CNC(=O)Cc2[nH]cc[nH+]2)CCOCC1 ZINC001402247672 902391874 /nfs/dbraw/zinc/39/18/74/902391874.db2.gz ZUMFMIMRKXFAGY-LLVKDONJSA-N 2 2 296.371 -0.412 20 0 CBADLP CC[C@H](C(=O)NCC1(O)C[NH+](C[C@@H](C)OC)C1)[NH+](C)C ZINC001402332586 902425314 /nfs/dbraw/zinc/42/53/14/902425314.db2.gz GDBOIQHTSSQFIN-VXGBXAGGSA-N 2 2 287.404 -0.476 20 0 CBADLP C[C@H]1C[C@@H](C(=O)NCC2(O)C[NH+](CCCO)C2)CC[N@@H+]1C ZINC001402360323 902434870 /nfs/dbraw/zinc/43/48/70/902434870.db2.gz WDCGUOWZRBKPSX-STQMWFEESA-N 2 2 299.415 -0.738 20 0 CBADLP C[C@H]1C[C@@H](C(=O)NCC2(O)C[NH+](CCCO)C2)CC[N@H+]1C ZINC001402360323 902434882 /nfs/dbraw/zinc/43/48/82/902434882.db2.gz WDCGUOWZRBKPSX-STQMWFEESA-N 2 2 299.415 -0.738 20 0 CBADLP CNC(=O)C[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001402412024 902445922 /nfs/dbraw/zinc/44/59/22/902445922.db2.gz OLVXSWAZPFUPEN-NEPJUHHUSA-N 2 2 293.371 -0.687 20 0 CBADLP CCC[N@H+](C)CC(=O)N1CCC[C@H]2C[NH+](CC(N)=O)C[C@H]21 ZINC001402465860 902459874 /nfs/dbraw/zinc/45/98/74/902459874.db2.gz AGQYFAZRGMEAMX-QWHCGFSZSA-N 2 2 296.415 -0.264 20 0 CBADLP CCC[N@@H+](C)CC(=O)N1CCC[C@H]2C[NH+](CC(N)=O)C[C@H]21 ZINC001402465860 902459879 /nfs/dbraw/zinc/45/98/79/902459879.db2.gz AGQYFAZRGMEAMX-QWHCGFSZSA-N 2 2 296.415 -0.264 20 0 CBADLP CCC[NH+](C)CC(=O)N1CCC[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001402465860 902459885 /nfs/dbraw/zinc/45/98/85/902459885.db2.gz AGQYFAZRGMEAMX-QWHCGFSZSA-N 2 2 296.415 -0.264 20 0 CBADLP CCC[NH+](C)CC(=O)N1CCC[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001402465860 902459891 /nfs/dbraw/zinc/45/98/91/902459891.db2.gz AGQYFAZRGMEAMX-QWHCGFSZSA-N 2 2 296.415 -0.264 20 0 CBADLP NC(=O)C[NH2+]C1(CNC(=O)CCc2c[nH]c[nH+]2)CCC1 ZINC001402557091 902478357 /nfs/dbraw/zinc/47/83/57/902478357.db2.gz FXDKHOUTSWYZET-UHFFFAOYSA-N 2 2 279.344 -0.544 20 0 CBADLP CC[N@H+](C)CCC(=O)N[C@@H]1COC2(C[NH+](C[C@H](C)O)C2)C1 ZINC001402708979 902505706 /nfs/dbraw/zinc/50/57/06/902505706.db2.gz FGIOMRDVIUIZDF-STQMWFEESA-N 2 2 299.415 -0.332 20 0 CBADLP CC[N@@H+](C)CCC(=O)N[C@@H]1COC2(C[NH+](C[C@H](C)O)C2)C1 ZINC001402708979 902505713 /nfs/dbraw/zinc/50/57/13/902505713.db2.gz FGIOMRDVIUIZDF-STQMWFEESA-N 2 2 299.415 -0.332 20 0 CBADLP COCC[NH+]1CC2(C1)C[C@@H](NC(=O)C[N@H+](C)C(C)C)CO2 ZINC001402721535 902509052 /nfs/dbraw/zinc/50/90/52/902509052.db2.gz NTLJWONLPNFREH-CYBMUJFWSA-N 2 2 299.415 -0.068 20 0 CBADLP COCC[NH+]1CC2(C1)C[C@@H](NC(=O)C[N@@H+](C)C(C)C)CO2 ZINC001402721535 902509060 /nfs/dbraw/zinc/50/90/60/902509060.db2.gz NTLJWONLPNFREH-CYBMUJFWSA-N 2 2 299.415 -0.068 20 0 CBADLP CCC[N@H+](C)CC(=O)N[C@@H]1COC2(C[NH+](CCO)C2)C1 ZINC001402711639 902509194 /nfs/dbraw/zinc/50/91/94/902509194.db2.gz IDWBYTCDQSQAKE-LBPRGKRZSA-N 2 2 285.388 -0.720 20 0 CBADLP CCC[N@@H+](C)CC(=O)N[C@@H]1COC2(C[NH+](CCO)C2)C1 ZINC001402711639 902509203 /nfs/dbraw/zinc/50/92/03/902509203.db2.gz IDWBYTCDQSQAKE-LBPRGKRZSA-N 2 2 285.388 -0.720 20 0 CBADLP C[C@@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)CC[N@@H+]1CC(N)=O ZINC001402831327 902528500 /nfs/dbraw/zinc/52/85/00/902528500.db2.gz YWWVLAUHYFCICX-VXGBXAGGSA-N 2 2 293.371 -0.272 20 0 CBADLP C[C@@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)CC[N@H+]1CC(N)=O ZINC001402831327 902528504 /nfs/dbraw/zinc/52/85/04/902528504.db2.gz YWWVLAUHYFCICX-VXGBXAGGSA-N 2 2 293.371 -0.272 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001402901116 902555983 /nfs/dbraw/zinc/55/59/83/902555983.db2.gz WTSMFRBGNLCVHV-LBPRGKRZSA-N 2 2 293.371 -0.331 20 0 CBADLP Cc1nnc(C[NH2+][C@H](C)CNC(=O)Cn2c[nH+]cc2C)[nH]1 ZINC001402944855 902569554 /nfs/dbraw/zinc/56/95/54/902569554.db2.gz GCGWQJMEFDBMCX-SECBINFHSA-N 2 2 291.359 -0.087 20 0 CBADLP CCNC(=O)C[NH2+][C@H](C)CNC(=O)CCc1[nH+]ccn1C ZINC001402961408 902575514 /nfs/dbraw/zinc/57/55/14/902575514.db2.gz RJEJGRHWRCBTKD-LLVKDONJSA-N 2 2 295.387 -0.417 20 0 CBADLP C[C@@H]([NH2+]CC(=O)N(C)C)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001403055904 902601100 /nfs/dbraw/zinc/60/11/00/902601100.db2.gz UYTFCMJELPCEAK-MNOVXSKESA-N 2 2 281.360 -0.546 20 0 CBADLP CCN(C)C(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001403053109 902602916 /nfs/dbraw/zinc/60/29/16/902602916.db2.gz NQVRGWVRFONWFL-QWRGUYRKSA-N 2 2 295.387 -0.087 20 0 CBADLP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1cnon1 ZINC001403083582 902609113 /nfs/dbraw/zinc/60/91/13/902609113.db2.gz LNSYJYRHTWXXGA-SNVBAGLBSA-N 2 2 279.344 -0.240 20 0 CBADLP C[C@H]([NH2+]C[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1)C(N)=O ZINC001403278502 902662465 /nfs/dbraw/zinc/66/24/65/902662465.db2.gz SIJGTCDRFHRKDY-WDEREUQCSA-N 2 2 293.371 -0.726 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001403348250 902675916 /nfs/dbraw/zinc/67/59/16/902675916.db2.gz IPPCUZJHGHDZIN-QWRGUYRKSA-N 2 2 284.404 -0.363 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001403348250 902675924 /nfs/dbraw/zinc/67/59/24/902675924.db2.gz IPPCUZJHGHDZIN-QWRGUYRKSA-N 2 2 284.404 -0.363 20 0 CBADLP C[C@H]([NH2+]CCO)[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001403413965 902684649 /nfs/dbraw/zinc/68/46/49/902684649.db2.gz JQHJIIQKUGRCFL-JQWIXIFHSA-N 2 2 282.344 -0.850 20 0 CBADLP C[C@@H](CN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1)[NH2+]CCO ZINC001403585307 902742793 /nfs/dbraw/zinc/74/27/93/902742793.db2.gz YWCCFGDESITIBS-RYUDHWBXSA-N 2 2 280.372 -0.126 20 0 CBADLP COC[C@H](O)C[NH2+][C@H](C)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001403611175 902748955 /nfs/dbraw/zinc/74/89/55/902748955.db2.gz LGRUURIPMZOHBV-DGCLKSJQSA-N 2 2 298.387 -0.594 20 0 CBADLP C[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)CC(=O)N1CCCC1 ZINC001403657750 902781221 /nfs/dbraw/zinc/78/12/21/902781221.db2.gz KFCUQVMJPYODLD-CYBMUJFWSA-N 2 2 296.415 -0.249 20 0 CBADLP C[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)CC(=O)N1CCCC1 ZINC001403657750 902781232 /nfs/dbraw/zinc/78/12/32/902781232.db2.gz KFCUQVMJPYODLD-CYBMUJFWSA-N 2 2 296.415 -0.249 20 0 CBADLP C[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)CC(=O)N1CCCC1 ZINC001403657750 902781242 /nfs/dbraw/zinc/78/12/42/902781242.db2.gz KFCUQVMJPYODLD-CYBMUJFWSA-N 2 2 296.415 -0.249 20 0 CBADLP C[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)CC(=O)N1CCCC1 ZINC001403657750 902781253 /nfs/dbraw/zinc/78/12/53/902781253.db2.gz KFCUQVMJPYODLD-CYBMUJFWSA-N 2 2 296.415 -0.249 20 0 CBADLP Cc1nc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CCC[N@H+]2C)co1 ZINC001403662394 902785883 /nfs/dbraw/zinc/78/58/83/902785883.db2.gz ZKKOTUZYERJTCU-WCQYABFASA-N 2 2 296.371 -0.356 20 0 CBADLP Cc1nc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CCC[N@@H+]2C)co1 ZINC001403662394 902785894 /nfs/dbraw/zinc/78/58/94/902785894.db2.gz ZKKOTUZYERJTCU-WCQYABFASA-N 2 2 296.371 -0.356 20 0 CBADLP CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001403703989 902812128 /nfs/dbraw/zinc/81/21/28/902812128.db2.gz JGXSGVHSIKOPMY-OCCSQVGLSA-N 2 2 299.415 -0.284 20 0 CBADLP CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001403703989 902812138 /nfs/dbraw/zinc/81/21/38/902812138.db2.gz JGXSGVHSIKOPMY-OCCSQVGLSA-N 2 2 299.415 -0.284 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001403742494 902833355 /nfs/dbraw/zinc/83/33/55/902833355.db2.gz ZUZVIRVACGSZFF-UHFFFAOYSA-N 2 2 296.415 -0.345 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001403742494 902833364 /nfs/dbraw/zinc/83/33/64/902833364.db2.gz ZUZVIRVACGSZFF-UHFFFAOYSA-N 2 2 296.415 -0.345 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@H](CO)[NH2+]CC[C@@H]1CCCO1 ZINC001403758760 902836105 /nfs/dbraw/zinc/83/61/05/902836105.db2.gz XFMRKWGQVIBKSW-OLZOCXBDSA-N 2 2 296.371 -0.481 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NCC[N@@H+](C)CC(=O)N(C)C ZINC001403762353 902841820 /nfs/dbraw/zinc/84/18/20/902841820.db2.gz FEHHBKXJANRJJX-UHFFFAOYSA-N 2 2 281.360 -0.672 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NCC[N@H+](C)CC(=O)N(C)C ZINC001403762353 902841834 /nfs/dbraw/zinc/84/18/34/902841834.db2.gz FEHHBKXJANRJJX-UHFFFAOYSA-N 2 2 281.360 -0.672 20 0 CBADLP CNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cc2c[nH+]cn2C)C1 ZINC001403764020 902844053 /nfs/dbraw/zinc/84/40/53/902844053.db2.gz WTNLXBLVMHDJAO-GHMZBOCLSA-N 2 2 293.371 -0.712 20 0 CBADLP CNC(=O)C[NH2+]C[C@H]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001403782685 902848367 /nfs/dbraw/zinc/84/83/67/902848367.db2.gz AKNWAOFRUXHQFU-WDEREUQCSA-N 2 2 293.371 -0.427 20 0 CBADLP CN(C(=O)C[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1)C1CC1 ZINC001403773431 902849107 /nfs/dbraw/zinc/84/91/07/902849107.db2.gz YJHBVUVLCZTLBJ-LBPRGKRZSA-N 2 2 296.415 -0.393 20 0 CBADLP CN(C(=O)C[N@@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1)C1CC1 ZINC001403773431 902849121 /nfs/dbraw/zinc/84/91/21/902849121.db2.gz YJHBVUVLCZTLBJ-LBPRGKRZSA-N 2 2 296.415 -0.393 20 0 CBADLP CN(C(=O)C[NH+](C)CCNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001403773431 902849138 /nfs/dbraw/zinc/84/91/38/902849138.db2.gz YJHBVUVLCZTLBJ-LBPRGKRZSA-N 2 2 296.415 -0.393 20 0 CBADLP CN(C(=O)C[NH+](C)CCNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001403773431 902849146 /nfs/dbraw/zinc/84/91/46/902849146.db2.gz YJHBVUVLCZTLBJ-LBPRGKRZSA-N 2 2 296.415 -0.393 20 0 CBADLP NC(=O)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001403815252 902858795 /nfs/dbraw/zinc/85/87/95/902858795.db2.gz OOCBZFKCGQMTDC-GHMZBOCLSA-N 2 2 279.344 -0.757 20 0 CBADLP CN(C[C@@H](O)C[NH2+]C[C@H]1CCOC1)C(=O)Cc1[nH]cc[nH+]1 ZINC001403870142 902881250 /nfs/dbraw/zinc/88/12/50/902881250.db2.gz INMXNFWUHCXMKG-NEPJUHHUSA-N 2 2 296.371 -0.602 20 0 CBADLP CN(C[C@@H](O)C[NH2+]C[C@@H]1CCOC1)C(=O)Cc1[nH]cc[nH+]1 ZINC001403870187 902882637 /nfs/dbraw/zinc/88/26/37/902882637.db2.gz INMXNFWUHCXMKG-RYUDHWBXSA-N 2 2 296.371 -0.602 20 0 CBADLP CN(C[C@H](O)C[N@H+](C)CCCO)C(=O)Cc1[nH]cc[nH+]1 ZINC001403887151 902890617 /nfs/dbraw/zinc/89/06/17/902890617.db2.gz AEEFMOKEHBKSOF-LLVKDONJSA-N 2 2 284.360 -0.914 20 0 CBADLP CN(C[C@H](O)C[N@@H+](C)CCCO)C(=O)Cc1[nH]cc[nH+]1 ZINC001403887151 902890626 /nfs/dbraw/zinc/89/06/26/902890626.db2.gz AEEFMOKEHBKSOF-LLVKDONJSA-N 2 2 284.360 -0.914 20 0 CBADLP CN(C[C@H](O)C[N@H+](C)CCF)C(=O)Cc1c[nH+]cn1C ZINC001403911415 902902810 /nfs/dbraw/zinc/90/28/10/902902810.db2.gz RFUGDZJORPSVHE-GFCCVEGCSA-N 2 2 286.351 -0.317 20 0 CBADLP CN(C[C@H](O)C[N@@H+](C)CCF)C(=O)Cc1c[nH+]cn1C ZINC001403911415 902902822 /nfs/dbraw/zinc/90/28/22/902902822.db2.gz RFUGDZJORPSVHE-GFCCVEGCSA-N 2 2 286.351 -0.317 20 0 CBADLP CC[C@H](C(N)=O)[N@H+](CC)CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001403939180 902911286 /nfs/dbraw/zinc/91/12/86/902911286.db2.gz IGYUZJYCMOLWFY-GFCCVEGCSA-N 2 2 295.387 -0.037 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+](CC)CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001403939180 902911300 /nfs/dbraw/zinc/91/13/00/902911300.db2.gz IGYUZJYCMOLWFY-GFCCVEGCSA-N 2 2 295.387 -0.037 20 0 CBADLP C[NH+](C)C1(C(=O)NC[C@H]2CCC[N@@H+]2CC(N)=O)CCC1 ZINC001403989643 902920680 /nfs/dbraw/zinc/92/06/80/902920680.db2.gz LILKJWVICLQFHZ-LLVKDONJSA-N 2 2 282.388 -0.463 20 0 CBADLP C[NH+](C)C1(C(=O)NC[C@H]2CCC[N@H+]2CC(N)=O)CCC1 ZINC001403989643 902920688 /nfs/dbraw/zinc/92/06/88/902920688.db2.gz LILKJWVICLQFHZ-LLVKDONJSA-N 2 2 282.388 -0.463 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CC[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001404093463 902937851 /nfs/dbraw/zinc/93/78/51/902937851.db2.gz YSAROMVADVTJMK-ZJUUUORDSA-N 2 2 279.344 -0.736 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CC[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001404093463 902937874 /nfs/dbraw/zinc/93/78/74/902937874.db2.gz YSAROMVADVTJMK-ZJUUUORDSA-N 2 2 279.344 -0.736 20 0 CBADLP CC[C@@H](C(=O)NCC[N@H+](CC(N)=O)C1CC1)[NH+](C)C ZINC001404281323 902962323 /nfs/dbraw/zinc/96/23/23/902962323.db2.gz BKBPCSJPOUGNPH-NSHDSACASA-N 2 2 270.377 -0.608 20 0 CBADLP CC[C@@H](C(=O)NCC[N@@H+](CC(N)=O)C1CC1)[NH+](C)C ZINC001404281323 902962329 /nfs/dbraw/zinc/96/23/29/902962329.db2.gz BKBPCSJPOUGNPH-NSHDSACASA-N 2 2 270.377 -0.608 20 0 CBADLP CN(CC[NH2+][C@H]1CCNC1=O)C(=O)CCc1[nH+]ccn1C ZINC001404314419 902971337 /nfs/dbraw/zinc/97/13/37/902971337.db2.gz JVKPWBPKOFCNJF-NSHDSACASA-N 2 2 293.371 -0.711 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[NH+]([C@H](C)C(N)=O)C1 ZINC001404707928 903017108 /nfs/dbraw/zinc/01/71/08/903017108.db2.gz HNHSABRPJHWUDM-NEPJUHHUSA-N 2 2 284.404 -0.219 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N[C@H]1CCC[NH+]([C@H](C)C(N)=O)C1 ZINC001404707928 903017126 /nfs/dbraw/zinc/01/71/26/903017126.db2.gz HNHSABRPJHWUDM-NEPJUHHUSA-N 2 2 284.404 -0.219 20 0 CBADLP CC(C)[NH+](C)CC(=O)N[C@H]1CCC[N@H+]([C@H](C)C(N)=O)C1 ZINC001404707928 903017153 /nfs/dbraw/zinc/01/71/53/903017153.db2.gz HNHSABRPJHWUDM-NEPJUHHUSA-N 2 2 284.404 -0.219 20 0 CBADLP CCC[N@H+](C)CC(=O)NCC1C[NH+]([C@@H](C)C(=O)NC)C1 ZINC001404916497 903056439 /nfs/dbraw/zinc/05/64/39/903056439.db2.gz ALYLZKNEFVFVPW-NSHDSACASA-N 2 2 284.404 -0.489 20 0 CBADLP CCC[N@@H+](C)CC(=O)NCC1C[NH+]([C@@H](C)C(=O)NC)C1 ZINC001404916497 903056452 /nfs/dbraw/zinc/05/64/52/903056452.db2.gz ALYLZKNEFVFVPW-NSHDSACASA-N 2 2 284.404 -0.489 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+](C)C ZINC001404973717 903063579 /nfs/dbraw/zinc/06/35/79/903063579.db2.gz YHELONNSGHTTBM-SRVKXCTJSA-N 2 2 282.388 -0.513 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+](C)C ZINC001404973717 903063590 /nfs/dbraw/zinc/06/35/90/903063590.db2.gz YHELONNSGHTTBM-SRVKXCTJSA-N 2 2 282.388 -0.513 20 0 CBADLP CC(C)OCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001405047126 903078754 /nfs/dbraw/zinc/07/87/54/903078754.db2.gz PLNIZGJZXPDCRK-KGLIPLIRSA-N 2 2 299.415 -0.068 20 0 CBADLP CC(C)OCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001405047126 903078762 /nfs/dbraw/zinc/07/87/62/903078762.db2.gz PLNIZGJZXPDCRK-KGLIPLIRSA-N 2 2 299.415 -0.068 20 0 CBADLP CC(C)OCC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001405047126 903078769 /nfs/dbraw/zinc/07/87/69/903078769.db2.gz PLNIZGJZXPDCRK-KGLIPLIRSA-N 2 2 299.415 -0.068 20 0 CBADLP CC(C)OCC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001405047126 903078778 /nfs/dbraw/zinc/07/87/78/903078778.db2.gz PLNIZGJZXPDCRK-KGLIPLIRSA-N 2 2 299.415 -0.068 20 0 CBADLP CC[C@@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+][C@H]1CCNC1=O ZINC001405328403 903147475 /nfs/dbraw/zinc/14/74/75/903147475.db2.gz BESNTRYCBFEYBB-JQWIXIFHSA-N 2 2 293.371 -0.665 20 0 CBADLP C[C@H]([NH2+]C[C@@](C)(NC(=O)Cc1[nH]cc[nH+]1)C1CC1)C(N)=O ZINC001405500114 903172211 /nfs/dbraw/zinc/17/22/11/903172211.db2.gz JLVFLCRQAUQKCG-LKFCYVNXSA-N 2 2 293.371 -0.300 20 0 CBADLP C[C@@H]([NH2+]C[C@@](C)(NC(=O)Cc1[nH]cc[nH+]1)C1CC1)C(N)=O ZINC001405500131 903172472 /nfs/dbraw/zinc/17/24/72/903172472.db2.gz JLVFLCRQAUQKCG-YMTOWFKASA-N 2 2 293.371 -0.300 20 0 CBADLP CC[C@@H]([NH2+]C[C@@H](C)CNC(=O)Cc1c[nH]c[nH+]1)C(N)=O ZINC001405696361 903205667 /nfs/dbraw/zinc/20/56/67/903205667.db2.gz PXCHNQZPUMNJOY-MWLCHTKSSA-N 2 2 281.360 -0.442 20 0 CBADLP CCC[N@H+](C)CC(=O)NC[C@H]1C[NH+](CCOC)CCO1 ZINC001405741483 903213918 /nfs/dbraw/zinc/21/39/18/903213918.db2.gz PLLIHHBNCHPMQG-ZDUSSCGKSA-N 2 2 287.404 -0.208 20 0 CBADLP CCC[N@@H+](C)CC(=O)NC[C@H]1C[NH+](CCOC)CCO1 ZINC001405741483 903213934 /nfs/dbraw/zinc/21/39/34/903213934.db2.gz PLLIHHBNCHPMQG-ZDUSSCGKSA-N 2 2 287.404 -0.208 20 0 CBADLP CCC[NH+](C)CC(=O)NC[C@H]1C[N@H+](CCOC)CCO1 ZINC001405741483 903213947 /nfs/dbraw/zinc/21/39/47/903213947.db2.gz PLLIHHBNCHPMQG-ZDUSSCGKSA-N 2 2 287.404 -0.208 20 0 CBADLP CCC[NH+](C)CC(=O)NC[C@H]1C[N@@H+](CCOC)CCO1 ZINC001405741483 903213953 /nfs/dbraw/zinc/21/39/53/903213953.db2.gz PLLIHHBNCHPMQG-ZDUSSCGKSA-N 2 2 287.404 -0.208 20 0 CBADLP C[C@H](C[NH2+]CC(N)=O)N(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001405876311 903241458 /nfs/dbraw/zinc/24/14/58/903241458.db2.gz PZDMCBXEQKPFAB-WDEREUQCSA-N 2 2 281.360 -0.244 20 0 CBADLP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2C[NH+](CCCO)CCO2)C1 ZINC001405891632 903244435 /nfs/dbraw/zinc/24/44/35/903244435.db2.gz SDGMXMAKVOPJIG-ZIAGYGMSSA-N 2 2 299.415 -0.472 20 0 CBADLP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2C[NH+](CCCO)CCO2)C1 ZINC001405891632 903244443 /nfs/dbraw/zinc/24/44/43/903244443.db2.gz SDGMXMAKVOPJIG-ZIAGYGMSSA-N 2 2 299.415 -0.472 20 0 CBADLP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@H+](CCCO)CCO2)C1 ZINC001405891632 903244455 /nfs/dbraw/zinc/24/44/55/903244455.db2.gz SDGMXMAKVOPJIG-ZIAGYGMSSA-N 2 2 299.415 -0.472 20 0 CBADLP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@@H+](CCCO)CCO2)C1 ZINC001405891632 903244467 /nfs/dbraw/zinc/24/44/67/903244467.db2.gz SDGMXMAKVOPJIG-ZIAGYGMSSA-N 2 2 299.415 -0.472 20 0 CBADLP COC[C@@H](O)C[N@H+](C)CCN(C)C(=O)Cn1cc[nH+]c1 ZINC001406171854 903286547 /nfs/dbraw/zinc/28/65/47/903286547.db2.gz NUDUAZRPZNGTLC-LBPRGKRZSA-N 2 2 284.360 -0.719 20 0 CBADLP COC[C@@H](O)C[N@@H+](C)CCN(C)C(=O)Cn1cc[nH+]c1 ZINC001406171854 903286555 /nfs/dbraw/zinc/28/65/55/903286555.db2.gz NUDUAZRPZNGTLC-LBPRGKRZSA-N 2 2 284.360 -0.719 20 0 CBADLP C[N@@H+]1CC[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2cnsn2)C1 ZINC001406301392 903347333 /nfs/dbraw/zinc/34/73/33/903347333.db2.gz ZYYWKUPQPSSASE-ONGXEEELSA-N 2 2 299.400 -0.944 20 0 CBADLP C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2cnsn2)C1 ZINC001406301392 903347346 /nfs/dbraw/zinc/34/73/46/903347346.db2.gz ZYYWKUPQPSSASE-ONGXEEELSA-N 2 2 299.400 -0.944 20 0 CBADLP CCN(CC[NH2+][C@@H]1CCCNC1=O)C(=O)Cc1[nH]cc[nH+]1 ZINC001406323392 903356984 /nfs/dbraw/zinc/35/69/84/903356984.db2.gz CKGQXESQSFTGBN-LLVKDONJSA-N 2 2 293.371 -0.331 20 0 CBADLP C[C@H](C[NH2+][C@@H](C)C(N)=O)NC(=O)CCc1c[nH+]cn1C ZINC001406421194 903399326 /nfs/dbraw/zinc/39/93/26/903399326.db2.gz IOCQYBLEYPPVMF-ZJUUUORDSA-N 2 2 281.360 -0.679 20 0 CBADLP CC[C@@H](C)NC(=O)C[NH2+]C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001406569181 903432880 /nfs/dbraw/zinc/43/28/80/903432880.db2.gz IBGFIHRHCXIUFS-NEPJUHHUSA-N 2 2 295.387 -0.108 20 0 CBADLP CCNC(=O)C[NH2+]C[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001406562088 903434387 /nfs/dbraw/zinc/43/43/87/903434387.db2.gz ZUEGSWDJOLZZFY-VIFPVBQESA-N 2 2 281.360 -0.509 20 0 CBADLP CC[C@H](C)NC(=O)C[NH2+]C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001406569185 903435745 /nfs/dbraw/zinc/43/57/45/903435745.db2.gz IBGFIHRHCXIUFS-RYUDHWBXSA-N 2 2 295.387 -0.108 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)N[C@@H](C[NH2+]CC(N)=O)C1CC1 ZINC001406763116 903476727 /nfs/dbraw/zinc/47/67/27/903476727.db2.gz BKWHZPSZTVYHJG-NSHDSACASA-N 2 2 293.371 -0.678 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001406779466 903479415 /nfs/dbraw/zinc/47/94/15/903479415.db2.gz CWQWZMRBBRSBPP-LLVKDONJSA-N 2 2 279.344 -0.770 20 0 CBADLP CC[N@H+](C)CCC(=O)NC[C@H]1CC[NH+]1CC(=O)N1CCC1 ZINC001406875535 903496999 /nfs/dbraw/zinc/49/69/99/903496999.db2.gz GYTAPVMIRHXNGB-CYBMUJFWSA-N 2 2 296.415 -0.249 20 0 CBADLP CC[N@@H+](C)CCC(=O)NC[C@H]1CC[NH+]1CC(=O)N1CCC1 ZINC001406875535 903497004 /nfs/dbraw/zinc/49/70/04/903497004.db2.gz GYTAPVMIRHXNGB-CYBMUJFWSA-N 2 2 296.415 -0.249 20 0 CBADLP CC[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+]1CC(=O)N1CCC1 ZINC001406875535 903497012 /nfs/dbraw/zinc/49/70/12/903497012.db2.gz GYTAPVMIRHXNGB-CYBMUJFWSA-N 2 2 296.415 -0.249 20 0 CBADLP CC[NH+](C)CCC(=O)NC[C@H]1CC[N@H+]1CC(=O)N1CCC1 ZINC001406875535 903497019 /nfs/dbraw/zinc/49/70/19/903497019.db2.gz GYTAPVMIRHXNGB-CYBMUJFWSA-N 2 2 296.415 -0.249 20 0 CBADLP CC[N@H+](C)CCC(=O)NC[C@@H]1CC[NH+]1CC(=O)N1CCC1 ZINC001406875549 903498317 /nfs/dbraw/zinc/49/83/17/903498317.db2.gz GYTAPVMIRHXNGB-ZDUSSCGKSA-N 2 2 296.415 -0.249 20 0 CBADLP CC[N@@H+](C)CCC(=O)NC[C@@H]1CC[NH+]1CC(=O)N1CCC1 ZINC001406875549 903498326 /nfs/dbraw/zinc/49/83/26/903498326.db2.gz GYTAPVMIRHXNGB-ZDUSSCGKSA-N 2 2 296.415 -0.249 20 0 CBADLP CC[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+]1CC(=O)N1CCC1 ZINC001406875549 903498335 /nfs/dbraw/zinc/49/83/35/903498335.db2.gz GYTAPVMIRHXNGB-ZDUSSCGKSA-N 2 2 296.415 -0.249 20 0 CBADLP CC[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+]1CC(=O)N1CCC1 ZINC001406875549 903498342 /nfs/dbraw/zinc/49/83/42/903498342.db2.gz GYTAPVMIRHXNGB-ZDUSSCGKSA-N 2 2 296.415 -0.249 20 0 CBADLP C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001406866795 903498837 /nfs/dbraw/zinc/49/88/37/903498837.db2.gz QXUKLROWSJJMCF-RYUDHWBXSA-N 2 2 284.404 -0.395 20 0 CBADLP C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001406866795 903498842 /nfs/dbraw/zinc/49/88/42/903498842.db2.gz QXUKLROWSJJMCF-RYUDHWBXSA-N 2 2 284.404 -0.395 20 0 CBADLP O=C(C[NH+]1CCCC1)NCC1([NH2+]Cc2cnon2)CC1 ZINC001407009181 903524503 /nfs/dbraw/zinc/52/45/03/903524503.db2.gz FETHTXYYVXKGEC-UHFFFAOYSA-N 2 2 279.344 -0.096 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NC1(C)CC[NH+](CC(N)=O)CC1 ZINC001407126622 903547343 /nfs/dbraw/zinc/54/73/43/903547343.db2.gz XJNRLSCFCRQTCM-UHFFFAOYSA-N 2 2 293.371 -0.352 20 0 CBADLP CCNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001407208589 903558034 /nfs/dbraw/zinc/55/80/34/903558034.db2.gz RCQBEEBHJSYFLE-WFASDCNBSA-N 2 2 296.415 -0.203 20 0 CBADLP CCNC(=O)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001407208589 903558040 /nfs/dbraw/zinc/55/80/40/903558040.db2.gz RCQBEEBHJSYFLE-WFASDCNBSA-N 2 2 296.415 -0.203 20 0 CBADLP CCNC(=O)C[NH+]1CC[C@](C)(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001407208589 903558048 /nfs/dbraw/zinc/55/80/48/903558048.db2.gz RCQBEEBHJSYFLE-WFASDCNBSA-N 2 2 296.415 -0.203 20 0 CBADLP CCNC(=O)C[NH+]1CC[C@](C)(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001407208589 903558060 /nfs/dbraw/zinc/55/80/60/903558060.db2.gz RCQBEEBHJSYFLE-WFASDCNBSA-N 2 2 296.415 -0.203 20 0 CBADLP O=C(NC[C@@]1(O)CC[N@@H+](CCO)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001407394254 903590476 /nfs/dbraw/zinc/59/04/76/903590476.db2.gz WGVJGQXTCJXBTI-GYSYKLTISA-N 2 2 294.355 -0.942 20 0 CBADLP O=C(NC[C@@]1(O)CC[N@H+](CCO)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001407394254 903590494 /nfs/dbraw/zinc/59/04/94/903590494.db2.gz WGVJGQXTCJXBTI-GYSYKLTISA-N 2 2 294.355 -0.942 20 0 CBADLP O=C(NC[C@@]1(O)CC[N@@H+](CCO)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001407394254 903590506 /nfs/dbraw/zinc/59/05/06/903590506.db2.gz WGVJGQXTCJXBTI-GYSYKLTISA-N 2 2 294.355 -0.942 20 0 CBADLP O=C(NC[C@@]1(O)CC[N@H+](CCO)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001407394254 903590524 /nfs/dbraw/zinc/59/05/24/903590524.db2.gz WGVJGQXTCJXBTI-GYSYKLTISA-N 2 2 294.355 -0.942 20 0 CBADLP O=C(NC[C@]1(O)CC[N@@H+](CCO)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001407394259 903593122 /nfs/dbraw/zinc/59/31/22/903593122.db2.gz WGVJGQXTCJXBTI-JTNHKYCSSA-N 2 2 294.355 -0.942 20 0 CBADLP O=C(NC[C@]1(O)CC[N@H+](CCO)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001407394259 903593133 /nfs/dbraw/zinc/59/31/33/903593133.db2.gz WGVJGQXTCJXBTI-JTNHKYCSSA-N 2 2 294.355 -0.942 20 0 CBADLP O=C(NC[C@]1(O)CC[N@@H+](CCO)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001407394259 903593141 /nfs/dbraw/zinc/59/31/41/903593141.db2.gz WGVJGQXTCJXBTI-JTNHKYCSSA-N 2 2 294.355 -0.942 20 0 CBADLP O=C(NC[C@]1(O)CC[N@H+](CCO)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001407394259 903593154 /nfs/dbraw/zinc/59/31/54/903593154.db2.gz WGVJGQXTCJXBTI-JTNHKYCSSA-N 2 2 294.355 -0.942 20 0 CBADLP CCCC[NH+]1CC(O)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001407396366 903596372 /nfs/dbraw/zinc/59/63/72/903596372.db2.gz FDYNYDFFFOAMQL-GFCCVEGCSA-N 2 2 285.388 -0.720 20 0 CBADLP CCCC[NH+]1CC(O)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001407396366 903596389 /nfs/dbraw/zinc/59/63/89/903596389.db2.gz FDYNYDFFFOAMQL-GFCCVEGCSA-N 2 2 285.388 -0.720 20 0 CBADLP COC[C@@H](C)[NH+]1CC(O)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001407470525 903611443 /nfs/dbraw/zinc/61/14/43/903611443.db2.gz ODWSWVLILCKOMO-LLVKDONJSA-N 2 2 296.371 -0.611 20 0 CBADLP C[C@@H](O)CCC[NH+]1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001407466234 903612874 /nfs/dbraw/zinc/61/28/74/903612874.db2.gz GWXNQIYIPXJEHP-CHWSQXEVSA-N 2 2 299.415 -0.738 20 0 CBADLP C[C@@H](O)CCC[NH+]1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001407466234 903612880 /nfs/dbraw/zinc/61/28/80/903612880.db2.gz GWXNQIYIPXJEHP-CHWSQXEVSA-N 2 2 299.415 -0.738 20 0 CBADLP O=C(Cn1cc[nH+]c1)NCC1(O)C[NH+](CC2CCC2)C1 ZINC001407494635 903621904 /nfs/dbraw/zinc/62/19/04/903621904.db2.gz BWBIXQKDDYCQCG-UHFFFAOYSA-N 2 2 278.356 -0.154 20 0 CBADLP O=C(Cn1cc[nH+]c1)NCCN1CCC([NH2+]CCO)CC1 ZINC001407585620 903632562 /nfs/dbraw/zinc/63/25/62/903632562.db2.gz NPRVORRSQCEZPY-UHFFFAOYSA-N 2 2 295.387 -0.954 20 0 CBADLP C[C@H]([NH2+]CC[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1)C(N)=O ZINC001407697838 903647784 /nfs/dbraw/zinc/64/77/84/903647784.db2.gz NWHLKZBVOBFZPG-NWDGAFQWSA-N 2 2 293.371 -0.415 20 0 CBADLP CN(CCC[N@H+](C)[C@@H]1CCNC1=O)C(=O)Cc1[nH]cc[nH+]1 ZINC001407927924 903681033 /nfs/dbraw/zinc/68/10/33/903681033.db2.gz GVXLOCPXFVXRDN-LLVKDONJSA-N 2 2 293.371 -0.379 20 0 CBADLP CN(CCC[N@@H+](C)[C@@H]1CCNC1=O)C(=O)Cc1[nH]cc[nH+]1 ZINC001407927924 903681042 /nfs/dbraw/zinc/68/10/42/903681042.db2.gz GVXLOCPXFVXRDN-LLVKDONJSA-N 2 2 293.371 -0.379 20 0 CBADLP CCC[N@H+](C)CC(=O)N[C@H]1COC2(C[NH+](CCCO)C2)C1 ZINC001407974997 903688188 /nfs/dbraw/zinc/68/81/88/903688188.db2.gz NZAIPZUPOZZVME-CYBMUJFWSA-N 2 2 299.415 -0.330 20 0 CBADLP CCC[N@@H+](C)CC(=O)N[C@H]1COC2(C[NH+](CCCO)C2)C1 ZINC001407974997 903688192 /nfs/dbraw/zinc/68/81/92/903688192.db2.gz NZAIPZUPOZZVME-CYBMUJFWSA-N 2 2 299.415 -0.330 20 0 CBADLP COCCOC[C@H](O)C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC001459796852 914744189 /nfs/dbraw/zinc/74/41/89/914744189.db2.gz LUALYUZGDXZUAA-CYBMUJFWSA-N 2 2 298.387 -0.434 20 0 CBADLP CC[N@H+](C)CCC(=O)NC[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001408328661 903753110 /nfs/dbraw/zinc/75/31/10/903753110.db2.gz HUGUKLKMLLNNBI-NSHDSACASA-N 2 2 295.387 -0.085 20 0 CBADLP CC[N@@H+](C)CCC(=O)NC[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001408328661 903753126 /nfs/dbraw/zinc/75/31/26/903753126.db2.gz HUGUKLKMLLNNBI-NSHDSACASA-N 2 2 295.387 -0.085 20 0 CBADLP CNC(=O)C[NH2+]CC1CC(NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001409266426 903874361 /nfs/dbraw/zinc/87/43/61/903874361.db2.gz TUQHYSNDXATDHG-UHFFFAOYSA-N 2 2 293.371 -0.427 20 0 CBADLP CNC(=O)C[NH2+]CC1CC(NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001409266426 903874366 /nfs/dbraw/zinc/87/43/66/903874366.db2.gz TUQHYSNDXATDHG-UHFFFAOYSA-N 2 2 293.371 -0.427 20 0 CBADLP CC[C@H](CNC(=O)CC[NH+](C)C)NC(=O)Cn1cc[nH+]c1 ZINC001409408103 903896636 /nfs/dbraw/zinc/89/66/36/903896636.db2.gz XRKQCPGGRDGOBW-GFCCVEGCSA-N 2 2 295.387 -0.154 20 0 CBADLP CCN(C)C(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001409413001 903899424 /nfs/dbraw/zinc/89/94/24/903899424.db2.gz YIYVSGYBBBEQFB-WDEREUQCSA-N 2 2 295.387 -0.087 20 0 CBADLP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)[NH2+]CC(=O)NC1CC1 ZINC001409465665 903903938 /nfs/dbraw/zinc/90/39/38/903903938.db2.gz KIBOPKPRQGDNAL-WDEREUQCSA-N 2 2 293.371 -0.356 20 0 CBADLP CCN(C)C(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001409449879 903904108 /nfs/dbraw/zinc/90/41/08/903904108.db2.gz DOTHYMBCCWVNOE-NWDGAFQWSA-N 2 2 295.387 -0.156 20 0 CBADLP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@@H](C)[NH2+]CC(=O)NC1CC1 ZINC001409465643 903904271 /nfs/dbraw/zinc/90/42/71/903904271.db2.gz KIBOPKPRQGDNAL-GHMZBOCLSA-N 2 2 293.371 -0.356 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NC[C@H](C)[N@H+](C)[C@@H]1CCNC1=O ZINC001409590748 903938764 /nfs/dbraw/zinc/93/87/64/903938764.db2.gz ZBYYEQCDSRMWKT-CMPLNLGQSA-N 2 2 293.371 -0.483 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NC[C@H](C)[N@@H+](C)[C@@H]1CCNC1=O ZINC001409590748 903938774 /nfs/dbraw/zinc/93/87/74/903938774.db2.gz ZBYYEQCDSRMWKT-CMPLNLGQSA-N 2 2 293.371 -0.483 20 0 CBADLP CC[C@H](C(N)=O)[N@H+](C)[C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001409648579 903951186 /nfs/dbraw/zinc/95/11/86/903951186.db2.gz QMQRUIHAUKHPQJ-ZYHUDNBSSA-N 2 2 295.387 -0.337 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+](C)[C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001409648579 903951193 /nfs/dbraw/zinc/95/11/93/903951193.db2.gz QMQRUIHAUKHPQJ-ZYHUDNBSSA-N 2 2 295.387 -0.337 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC1(CCO)C[NH+](C[C@H](C)O)C1 ZINC001409750745 903972273 /nfs/dbraw/zinc/97/22/73/903972273.db2.gz CKYUHPXCLIGMDW-NSHDSACASA-N 2 2 296.371 -0.875 20 0 CBADLP NC(=O)C[N@@H+]1CCCCC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001409851488 903974599 /nfs/dbraw/zinc/97/45/99/903974599.db2.gz UTSSMOJTVMKILE-ZDUSSCGKSA-N 2 2 296.415 -0.072 20 0 CBADLP NC(=O)C[N@H+]1CCCCC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001409851488 903974609 /nfs/dbraw/zinc/97/46/09/903974609.db2.gz UTSSMOJTVMKILE-ZDUSSCGKSA-N 2 2 296.415 -0.072 20 0 CBADLP CCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)C[N@H+](C)C(C)C)C1 ZINC001409960601 903989347 /nfs/dbraw/zinc/98/93/47/903989347.db2.gz CKYXHCYFIXYTKF-GFCCVEGCSA-N 2 2 298.431 -0.101 20 0 CBADLP CCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001409960601 903989355 /nfs/dbraw/zinc/98/93/55/903989355.db2.gz CKYXHCYFIXYTKF-GFCCVEGCSA-N 2 2 298.431 -0.101 20 0 CBADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1C[C@H](CO)[C@H](O)C1 ZINC001460221647 914772889 /nfs/dbraw/zinc/77/28/89/914772889.db2.gz QSLYDLGSGNCDDG-OWCLPIDISA-N 2 2 294.395 -0.236 20 0 CBADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1C[C@H](CO)[C@H](O)C1 ZINC001460221647 914772903 /nfs/dbraw/zinc/77/29/03/914772903.db2.gz QSLYDLGSGNCDDG-OWCLPIDISA-N 2 2 294.395 -0.236 20 0 CBADLP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1C[C@H](CO)[C@H](O)C1 ZINC001460221647 914772912 /nfs/dbraw/zinc/77/29/12/914772912.db2.gz QSLYDLGSGNCDDG-OWCLPIDISA-N 2 2 294.395 -0.236 20 0 CBADLP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1C[C@H](CO)[C@H](O)C1 ZINC001460221647 914772923 /nfs/dbraw/zinc/77/29/23/914772923.db2.gz QSLYDLGSGNCDDG-OWCLPIDISA-N 2 2 294.395 -0.236 20 0 CBADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)NC(=O)C[NH+]1CCCC1 ZINC001410374700 904083352 /nfs/dbraw/zinc/08/33/52/904083352.db2.gz TZNSWNYAEAUBAW-NSHDSACASA-N 2 2 293.371 -0.331 20 0 CBADLP C[C@@H](CN(C)C(=O)CCn1cc[nH+]c1)[NH2+][C@H]1CCNC1=O ZINC001410420693 904094363 /nfs/dbraw/zinc/09/43/63/904094363.db2.gz JORUUSRWEFOFQP-RYUDHWBXSA-N 2 2 293.371 -0.402 20 0 CBADLP O=C(NC[C@H](CO)[NH2+]CC1CC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001410674875 904157422 /nfs/dbraw/zinc/15/74/22/904157422.db2.gz VNQGWWDBRGZGTJ-CHWSQXEVSA-N 2 2 292.383 -0.078 20 0 CBADLP C[N@@H+]1CC[C@H](CC(=O)NC[C@H](CO)[NH2+]Cc2ccon2)C1 ZINC001410755566 904177855 /nfs/dbraw/zinc/17/78/55/904177855.db2.gz PPQCSXKNHYGBDR-DGCLKSJQSA-N 2 2 296.371 -0.417 20 0 CBADLP C[N@H+]1CC[C@H](CC(=O)NC[C@H](CO)[NH2+]Cc2ccon2)C1 ZINC001410755566 904177864 /nfs/dbraw/zinc/17/78/64/904177864.db2.gz PPQCSXKNHYGBDR-DGCLKSJQSA-N 2 2 296.371 -0.417 20 0 CBADLP CNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001410893402 904202018 /nfs/dbraw/zinc/20/20/18/904202018.db2.gz VGAMAFXIAZQLPY-MWLCHTKSSA-N 2 2 293.371 -0.414 20 0 CBADLP CN(C)c1cc[nH+]cc1C[NH2+]C[C@]1(O)CCS(=O)(=O)C1 ZINC001461516014 914856719 /nfs/dbraw/zinc/85/67/19/914856719.db2.gz QUXRDEVEFZXDPO-CYBMUJFWSA-N 2 2 299.396 -0.213 20 0 CBADLP NC(=O)Cn1cc(C[NH2+]C[C@@H]2C[NH+]3CCC2CC3)nn1 ZINC001413265057 904986751 /nfs/dbraw/zinc/98/67/51/904986751.db2.gz YYDVMHZACWEFDJ-LLVKDONJSA-N 2 2 278.360 -0.805 20 0 CBADLP C[C@@H](CCNS(=O)(=O)N1CC[NH+](C)CC1)[NH+](C)C ZINC001413402952 905058285 /nfs/dbraw/zinc/05/82/85/905058285.db2.gz HGVPFWANCGAPDT-NSHDSACASA-N 2 2 278.422 -0.592 20 0 CBADLP COC(=O)CNC(=O)[C@H]1CCC[N@@H+]1CCn1cc[nH+]c1 ZINC001413998576 905304815 /nfs/dbraw/zinc/30/48/15/905304815.db2.gz HTBKNHDUJASEAE-LLVKDONJSA-N 2 2 280.328 -0.363 20 0 CBADLP COC(=O)CNC(=O)[C@H]1CCC[N@H+]1CCn1cc[nH+]c1 ZINC001413998576 905304831 /nfs/dbraw/zinc/30/48/31/905304831.db2.gz HTBKNHDUJASEAE-LLVKDONJSA-N 2 2 280.328 -0.363 20 0 CBADLP Cn1c[nH+]cc1CCC[N@@H+]1CCN2CCOC[C@]2(CO)C1 ZINC001414033717 905327424 /nfs/dbraw/zinc/32/74/24/905327424.db2.gz JKBQPUDOBPCXER-OAHLLOKOSA-N 2 2 294.399 -0.268 20 0 CBADLP Cn1c[nH+]cc1CCC[N@H+]1CCN2CCOC[C@]2(CO)C1 ZINC001414033717 905327444 /nfs/dbraw/zinc/32/74/44/905327444.db2.gz JKBQPUDOBPCXER-OAHLLOKOSA-N 2 2 294.399 -0.268 20 0 CBADLP NC(=O)NC(=O)C[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001414072014 905345479 /nfs/dbraw/zinc/34/54/79/905345479.db2.gz ZYHHQMIDDPMEOM-UHFFFAOYSA-N 2 2 298.387 -0.506 20 0 CBADLP C[C@@H](CNC(=O)CC[NH+](C)C)NC(=O)CCn1cc[nH+]c1 ZINC001416922873 905836363 /nfs/dbraw/zinc/83/63/63/905836363.db2.gz FFVQFIAYGVXXOA-LBPRGKRZSA-N 2 2 295.387 -0.154 20 0 CBADLP COC[C@@H](O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)Cn1cc[nH+]c1 ZINC001417755751 906043968 /nfs/dbraw/zinc/04/39/68/906043968.db2.gz NNCHBWGLYSSRMW-OLZOCXBDSA-N 2 2 296.371 -0.577 20 0 CBADLP COC[C@@H](O)C[N@H+]1CC[C@@H]1CN(C)C(=O)Cn1cc[nH+]c1 ZINC001417755751 906043978 /nfs/dbraw/zinc/04/39/78/906043978.db2.gz NNCHBWGLYSSRMW-OLZOCXBDSA-N 2 2 296.371 -0.577 20 0 CBADLP CNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001417776098 906046013 /nfs/dbraw/zinc/04/60/13/906046013.db2.gz XCVJIIBGCJLSJB-PHIMTYICSA-N 2 2 293.371 -0.509 20 0 CBADLP CN(C)C(=O)C[NH2+][C@H]1C[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001417800093 906060023 /nfs/dbraw/zinc/06/00/23/906060023.db2.gz CHXVYQCFEBOKTC-HAQNSBGRSA-N 2 2 293.371 -0.544 20 0 CBADLP C[N@@H+]1CC[C@@H](C(=O)NCC[NH+]2CCN(CCF)CC2)C1 ZINC001417928706 906110343 /nfs/dbraw/zinc/11/03/43/906110343.db2.gz LTAHOJVVALERLZ-CYBMUJFWSA-N 2 2 286.395 -0.359 20 0 CBADLP C[N@H+]1CC[C@@H](C(=O)NCC[NH+]2CCN(CCF)CC2)C1 ZINC001417928706 906110349 /nfs/dbraw/zinc/11/03/49/906110349.db2.gz LTAHOJVVALERLZ-CYBMUJFWSA-N 2 2 286.395 -0.359 20 0 CBADLP COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001418045537 906146309 /nfs/dbraw/zinc/14/63/09/906146309.db2.gz LOLOOYJYXQRDQZ-RYUDHWBXSA-N 2 2 282.344 -0.919 20 0 CBADLP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CCCC[NH+]2CC(N)=O)C1 ZINC001418152718 906179919 /nfs/dbraw/zinc/17/99/19/906179919.db2.gz CTTJQYDPSBCADZ-STQMWFEESA-N 2 2 296.415 -0.216 20 0 CBADLP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2CCCC[NH+]2CC(N)=O)C1 ZINC001418152718 906179929 /nfs/dbraw/zinc/17/99/29/906179929.db2.gz CTTJQYDPSBCADZ-STQMWFEESA-N 2 2 296.415 -0.216 20 0 CBADLP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2CCCC[N@@H+]2CC(N)=O)C1 ZINC001418152718 906179936 /nfs/dbraw/zinc/17/99/36/906179936.db2.gz CTTJQYDPSBCADZ-STQMWFEESA-N 2 2 296.415 -0.216 20 0 CBADLP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2CCCC[N@H+]2CC(N)=O)C1 ZINC001418152718 906179944 /nfs/dbraw/zinc/17/99/44/906179944.db2.gz CTTJQYDPSBCADZ-STQMWFEESA-N 2 2 296.415 -0.216 20 0 CBADLP C[C@@H]([NH2+][C@@H](C)CNC(=O)c1cccc2[nH+]ccn21)C(N)=O ZINC001418249160 906239568 /nfs/dbraw/zinc/23/95/68/906239568.db2.gz PFGRERYKTGHADA-VHSXEESVSA-N 2 2 289.339 -0.084 20 0 CBADLP C[C@H](CNC(=O)CCc1[nH+]ccn1C)[NH2+][C@H](C)C(N)=O ZINC001418260946 906243777 /nfs/dbraw/zinc/24/37/77/906243777.db2.gz GYTPQGZMQRUOKK-NXEZZACHSA-N 2 2 281.360 -0.679 20 0 CBADLP CCCNC(=O)C[NH2+][C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001418291591 906265156 /nfs/dbraw/zinc/26/51/56/906265156.db2.gz NCJZRXQNTSEKHI-JTQLQIEISA-N 2 2 281.360 -0.427 20 0 CBADLP CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001418351742 906295758 /nfs/dbraw/zinc/29/57/58/906295758.db2.gz GCSGTSZDFMUBNG-LLVKDONJSA-N 2 2 293.371 -0.474 20 0 CBADLP CC[N@@H+]1CC[C@@H]1C(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC001418403356 906311623 /nfs/dbraw/zinc/31/16/23/906311623.db2.gz IASZTCGMJMUVJI-GFCCVEGCSA-N 2 2 284.404 -0.441 20 0 CBADLP CC[N@H+]1CC[C@@H]1C(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC001418403356 906311634 /nfs/dbraw/zinc/31/16/34/906311634.db2.gz IASZTCGMJMUVJI-GFCCVEGCSA-N 2 2 284.404 -0.441 20 0 CBADLP C[C@@H](CCNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@@H](C)C(=O)N(C)C ZINC001418432382 906319429 /nfs/dbraw/zinc/31/94/29/906319429.db2.gz XCEJUNBBQYTMLV-QWRGUYRKSA-N 2 2 295.387 -0.087 20 0 CBADLP COC[C@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001418700539 906450168 /nfs/dbraw/zinc/45/01/68/906450168.db2.gz DHKILIMESYBSEN-IJLUTSLNSA-N 2 2 296.371 -0.556 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)NC[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001418690351 906450224 /nfs/dbraw/zinc/45/02/24/906450224.db2.gz OKMMISPVGXVMSF-LLVKDONJSA-N 2 2 293.371 -0.724 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)NC[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001418690351 906450236 /nfs/dbraw/zinc/45/02/36/906450236.db2.gz OKMMISPVGXVMSF-LLVKDONJSA-N 2 2 293.371 -0.724 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001418692594 906451248 /nfs/dbraw/zinc/45/12/48/906451248.db2.gz UWABEOVPOPUNAM-LBPRGKRZSA-N 2 2 293.371 -0.543 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001418692594 906451263 /nfs/dbraw/zinc/45/12/63/906451263.db2.gz UWABEOVPOPUNAM-LBPRGKRZSA-N 2 2 293.371 -0.543 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001418705675 906453451 /nfs/dbraw/zinc/45/34/51/906453451.db2.gz GOWIBXBVXFEOEP-IJLUTSLNSA-N 2 2 291.355 -0.744 20 0 CBADLP CN(C)C(=O)C[N@@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001418715006 906453935 /nfs/dbraw/zinc/45/39/35/906453935.db2.gz YUVGDXLQEWCTSO-LBPRGKRZSA-N 2 2 293.371 -0.591 20 0 CBADLP CN(C)C(=O)C[N@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001418715006 906453943 /nfs/dbraw/zinc/45/39/43/906453943.db2.gz YUVGDXLQEWCTSO-LBPRGKRZSA-N 2 2 293.371 -0.591 20 0 CBADLP CCC[N@H+](CCNC(=O)Cc1[nH]c[nH+]c1C)[C@H](C)C(N)=O ZINC001418727787 906458763 /nfs/dbraw/zinc/45/87/63/906458763.db2.gz HPCSEYCKCNSQPV-LLVKDONJSA-N 2 2 295.387 -0.037 20 0 CBADLP CCC[N@@H+](CCNC(=O)Cc1[nH]c[nH+]c1C)[C@H](C)C(N)=O ZINC001418727787 906458774 /nfs/dbraw/zinc/45/87/74/906458774.db2.gz HPCSEYCKCNSQPV-LLVKDONJSA-N 2 2 295.387 -0.037 20 0 CBADLP O=C(Cn1cc[nH+]c1)NCC1C[NH+](C[C@H]2CCOC2)C1 ZINC001419047190 906574820 /nfs/dbraw/zinc/57/48/20/906574820.db2.gz IQISFPLFDBFJSU-GFCCVEGCSA-N 2 2 278.356 -0.032 20 0 CBADLP CNC(=O)C[NH+]1CC(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001419044436 906575090 /nfs/dbraw/zinc/57/50/90/906575090.db2.gz VOPOGJPQGXFFQL-UHFFFAOYSA-N 2 2 270.377 -0.879 20 0 CBADLP CNC(=O)C[NH+]1CC(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001419044436 906575096 /nfs/dbraw/zinc/57/50/96/906575096.db2.gz VOPOGJPQGXFFQL-UHFFFAOYSA-N 2 2 270.377 -0.879 20 0 CBADLP CC[C@@H](CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)[NH2+]CC(=O)NC ZINC001419238857 906644369 /nfs/dbraw/zinc/64/43/69/906644369.db2.gz CIKWPPFHJASPPG-MNOVXSKESA-N 2 2 295.387 -0.181 20 0 CBADLP CC[C@@H](CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1)[NH2+]CC(=O)NC ZINC001419238857 906644372 /nfs/dbraw/zinc/64/43/72/906644372.db2.gz CIKWPPFHJASPPG-MNOVXSKESA-N 2 2 295.387 -0.181 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H]([NH2+][C@H]1CCNC1=O)C1CC1 ZINC001419299294 906659338 /nfs/dbraw/zinc/65/93/38/906659338.db2.gz KPOXIIXNSICZBH-QWRGUYRKSA-N 2 2 291.355 -0.675 20 0 CBADLP CNC(=O)C[NH2+]C[C@](C)(NC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001419344604 906666495 /nfs/dbraw/zinc/66/64/95/906666495.db2.gz NDPHUNJOIVNVRW-AWEZNQCLSA-N 2 2 293.371 -0.427 20 0 CBADLP CNC(=O)C[NH2+]C[C@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001419460835 906694425 /nfs/dbraw/zinc/69/44/25/906694425.db2.gz JVNHMAIUHKJDAA-JTQLQIEISA-N 2 2 281.360 -0.570 20 0 CBADLP CNC(=O)C[NH2+]C[C@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001419460835 906694434 /nfs/dbraw/zinc/69/44/34/906694434.db2.gz JVNHMAIUHKJDAA-JTQLQIEISA-N 2 2 281.360 -0.570 20 0 CBADLP C[C@@H](CNC(=O)c1cccc2[nH+]ccn21)C[NH2+]CC(N)=O ZINC001419486124 906701031 /nfs/dbraw/zinc/70/10/31/906701031.db2.gz PTCWRNMYXVITJB-SNVBAGLBSA-N 2 2 289.339 -0.225 20 0 CBADLP COC[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001419499928 906704679 /nfs/dbraw/zinc/70/46/79/906704679.db2.gz KXYPXSCTLIVMQH-UMNHJUIQSA-N 2 2 282.344 -0.804 20 0 CBADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)C[NH2+][C@@H](C)C(=O)N(C)C ZINC001419510008 906708317 /nfs/dbraw/zinc/70/83/17/906708317.db2.gz HZYZTTLRSYJJHY-QWRGUYRKSA-N 2 2 295.387 -0.229 20 0 CBADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)C[NH2+][C@@H](C)C(=O)N(C)C ZINC001419515400 906712017 /nfs/dbraw/zinc/71/20/17/906712017.db2.gz FLFYIICANHKIFO-QWRGUYRKSA-N 2 2 295.387 -0.229 20 0 CBADLP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+](C[C@H](C)O)CCO1 ZINC001419593015 906735318 /nfs/dbraw/zinc/73/53/18/906735318.db2.gz HSNNHKFDJTXNJN-QWHCGFSZSA-N 2 2 287.404 -0.474 20 0 CBADLP CCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](C[C@H](C)O)CCO1 ZINC001419593015 906735337 /nfs/dbraw/zinc/73/53/37/906735337.db2.gz HSNNHKFDJTXNJN-QWHCGFSZSA-N 2 2 287.404 -0.474 20 0 CBADLP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@H+](C[C@H](C)O)CCO1 ZINC001419593015 906735349 /nfs/dbraw/zinc/73/53/49/906735349.db2.gz HSNNHKFDJTXNJN-QWHCGFSZSA-N 2 2 287.404 -0.474 20 0 CBADLP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](C[C@H](C)O)CCO1 ZINC001419593015 906735360 /nfs/dbraw/zinc/73/53/60/906735360.db2.gz HSNNHKFDJTXNJN-QWHCGFSZSA-N 2 2 287.404 -0.474 20 0 CBADLP C[C@H](C[NH2+][C@@H]1CCNC1=O)N(C)C(=O)CCn1cc[nH+]c1 ZINC001419683605 906766184 /nfs/dbraw/zinc/76/61/84/906766184.db2.gz FLBUNEBOHUDLHR-VXGBXAGGSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@H](CNC(=O)c1cc(C[NH+](C)C)on1)[NH2+][C@@H](C)C(N)=O ZINC001419802307 906821424 /nfs/dbraw/zinc/82/14/24/906821424.db2.gz WCHNNULYEOUZMY-BDAKNGLRSA-N 2 2 297.359 -0.682 20 0 CBADLP C[C@@H]([NH2+]CC(N)=O)[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001419838306 906831703 /nfs/dbraw/zinc/83/17/03/906831703.db2.gz XEPIYCRRKMXMJE-MNOVXSKESA-N 2 2 293.371 -0.346 20 0 CBADLP CCNC(=O)C[NH2+][C@@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001419890426 906849805 /nfs/dbraw/zinc/84/98/05/906849805.db2.gz BBOCRHOSWICXKC-JTQLQIEISA-N 2 2 281.360 -0.807 20 0 CBADLP CC(C)[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@@H]1CCNC1=O ZINC001419923147 906857552 /nfs/dbraw/zinc/85/75/52/906857552.db2.gz RLVRXSIFWYOZPV-GHMZBOCLSA-N 2 2 293.371 -0.429 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@@H](CNC(=O)Cn1cc[nH+]c1)C(C)C ZINC001419944969 906869186 /nfs/dbraw/zinc/86/91/86/906869186.db2.gz VRAPYSZEUXSJBY-RYUDHWBXSA-N 2 2 295.387 -0.252 20 0 CBADLP COC[C@H](O)C[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001419986617 906884781 /nfs/dbraw/zinc/88/47/81/906884781.db2.gz FBSDIVHUXJSDQP-WCQYABFASA-N 2 2 296.371 -0.602 20 0 CBADLP CNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001420149275 906970504 /nfs/dbraw/zinc/97/05/04/906970504.db2.gz SIQHFWUACZIVKX-MNOVXSKESA-N 2 2 295.387 -0.181 20 0 CBADLP CNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001420149275 906970519 /nfs/dbraw/zinc/97/05/19/906970519.db2.gz SIQHFWUACZIVKX-MNOVXSKESA-N 2 2 295.387 -0.181 20 0 CBADLP C[C@H](CCNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CC(=O)N(C)C ZINC001420161978 906978359 /nfs/dbraw/zinc/97/83/59/906978359.db2.gz SXOUVUKGDPPVFP-SNVBAGLBSA-N 2 2 281.360 -0.475 20 0 CBADLP Cc1ncc(C[NH2+]C[C@H](O)CNC(=O)Cn2cc[nH+]c2)o1 ZINC001420206577 907014001 /nfs/dbraw/zinc/01/40/01/907014001.db2.gz RKLUAYLPWRASIY-NSHDSACASA-N 2 2 293.327 -0.554 20 0 CBADLP C[C@H](CC[NH2+][C@@H]1CCNC1=O)NC(=O)Cc1c[nH]c[nH+]1 ZINC001420223120 907028210 /nfs/dbraw/zinc/02/82/10/907028210.db2.gz ICBCAEQPJACRBF-MWLCHTKSSA-N 2 2 279.344 -0.675 20 0 CBADLP C[C@H](C[NH2+]Cc1cnnn1C)NC(=O)Cc1c[nH+]cn1C ZINC001420364690 907122207 /nfs/dbraw/zinc/12/22/07/907122207.db2.gz HUTXNAWSLAYWFD-SNVBAGLBSA-N 2 2 291.359 -0.614 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)C[NH2+][C@H](C)C(=O)N(C)C ZINC001420362017 907123075 /nfs/dbraw/zinc/12/30/75/907123075.db2.gz DUIMIWJLSSIWIJ-MWLCHTKSSA-N 2 2 295.387 -0.168 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)C[NH2+][C@@H](C)C(=O)N(C)C ZINC001420362013 907124438 /nfs/dbraw/zinc/12/44/38/907124438.db2.gz DUIMIWJLSSIWIJ-KOLCDFICSA-N 2 2 295.387 -0.168 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001420386860 907133109 /nfs/dbraw/zinc/13/31/09/907133109.db2.gz KABMSRBIASFUBL-LLVKDONJSA-N 2 2 281.360 -0.496 20 0 CBADLP Cc1nnc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)[nH]1 ZINC001420401388 907140995 /nfs/dbraw/zinc/14/09/95/907140995.db2.gz CNZJKQFRULQYEX-ONGXEEELSA-N 2 2 280.376 -0.198 20 0 CBADLP Cc1nnc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C)[nH]1 ZINC001420401388 907141002 /nfs/dbraw/zinc/14/10/02/907141002.db2.gz CNZJKQFRULQYEX-ONGXEEELSA-N 2 2 280.376 -0.198 20 0 CBADLP CNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001420472587 907173641 /nfs/dbraw/zinc/17/36/41/907173641.db2.gz XXWMPVHNRBRGMR-GFCCVEGCSA-N 2 2 293.371 -0.482 20 0 CBADLP CNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001420472587 907173659 /nfs/dbraw/zinc/17/36/59/907173659.db2.gz XXWMPVHNRBRGMR-GFCCVEGCSA-N 2 2 293.371 -0.482 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[N@H+](C)[C@@H](C)C(N)=O ZINC001420602412 907229865 /nfs/dbraw/zinc/22/98/65/907229865.db2.gz AXRVVLNXJDBGCA-ONGXEEELSA-N 2 2 281.360 -0.498 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[N@@H+](C)[C@@H](C)C(N)=O ZINC001420602412 907229883 /nfs/dbraw/zinc/22/98/83/907229883.db2.gz AXRVVLNXJDBGCA-ONGXEEELSA-N 2 2 281.360 -0.498 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[N@H+](C)[C@@H]1CCNC1=O ZINC001420603283 907231835 /nfs/dbraw/zinc/23/18/35/907231835.db2.gz CZWBUUKTRYHUKZ-ZYHUDNBSSA-N 2 2 293.371 -0.483 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[N@@H+](C)[C@@H]1CCNC1=O ZINC001420603283 907231854 /nfs/dbraw/zinc/23/18/54/907231854.db2.gz CZWBUUKTRYHUKZ-ZYHUDNBSSA-N 2 2 293.371 -0.483 20 0 CBADLP C[C@H](C(N)=O)[N@@H+](C)C[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001420608063 907237758 /nfs/dbraw/zinc/23/77/58/907237758.db2.gz AWOMKLLNBJBPTR-WDEREUQCSA-N 2 2 281.360 -0.417 20 0 CBADLP C[C@H](C(N)=O)[N@H+](C)C[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001420608063 907237770 /nfs/dbraw/zinc/23/77/70/907237770.db2.gz AWOMKLLNBJBPTR-WDEREUQCSA-N 2 2 281.360 -0.417 20 0 CBADLP CN(CC[NH2+][C@H]1CCNC1=O)C(=O)CCCn1cc[nH+]c1 ZINC001420750707 907292960 /nfs/dbraw/zinc/29/29/60/907292960.db2.gz ZTHAKWHHUQMVBD-LBPRGKRZSA-N 2 2 293.371 -0.400 20 0 CBADLP CC[N@H+](C)CCC(=O)NC[C@H]1CC[NH+]1[C@@H](C)C(=O)N(C)C ZINC001420870619 907330699 /nfs/dbraw/zinc/33/06/99/907330699.db2.gz JWGFANJAANWLTJ-QWHCGFSZSA-N 2 2 298.431 -0.005 20 0 CBADLP CC[N@@H+](C)CCC(=O)NC[C@H]1CC[NH+]1[C@@H](C)C(=O)N(C)C ZINC001420870619 907330713 /nfs/dbraw/zinc/33/07/13/907330713.db2.gz JWGFANJAANWLTJ-QWHCGFSZSA-N 2 2 298.431 -0.005 20 0 CBADLP CC[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+]1[C@@H](C)C(=O)N(C)C ZINC001420870619 907330730 /nfs/dbraw/zinc/33/07/30/907330730.db2.gz JWGFANJAANWLTJ-QWHCGFSZSA-N 2 2 298.431 -0.005 20 0 CBADLP CC[NH+](C)CCC(=O)NC[C@H]1CC[N@H+]1[C@@H](C)C(=O)N(C)C ZINC001420870619 907330746 /nfs/dbraw/zinc/33/07/46/907330746.db2.gz JWGFANJAANWLTJ-QWHCGFSZSA-N 2 2 298.431 -0.005 20 0 CBADLP NC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001420887673 907333360 /nfs/dbraw/zinc/33/33/60/907333360.db2.gz NNWDKYFNWHQMAL-LLVKDONJSA-N 2 2 279.344 -0.803 20 0 CBADLP NC(=O)C[N@H+]1CC[C@@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001420887673 907333380 /nfs/dbraw/zinc/33/33/80/907333380.db2.gz NNWDKYFNWHQMAL-LLVKDONJSA-N 2 2 279.344 -0.803 20 0 CBADLP COC[C@H](O)C[N@@H+]1CC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001420906819 907346753 /nfs/dbraw/zinc/34/67/53/907346753.db2.gz RZSVTJAXEFQVRK-QWHCGFSZSA-N 2 2 285.388 -0.720 20 0 CBADLP COC[C@H](O)C[N@H+]1CC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001420906819 907346760 /nfs/dbraw/zinc/34/67/60/907346760.db2.gz RZSVTJAXEFQVRK-QWHCGFSZSA-N 2 2 285.388 -0.720 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CC[NH+]1[C@@H](C)C(=O)N(C)C ZINC001420905980 907349214 /nfs/dbraw/zinc/34/92/14/907349214.db2.gz CTPCIJUIKYMAFZ-STQMWFEESA-N 2 2 298.431 -0.006 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CC[NH+]1[C@@H](C)C(=O)N(C)C ZINC001420905980 907349231 /nfs/dbraw/zinc/34/92/31/907349231.db2.gz CTPCIJUIKYMAFZ-STQMWFEESA-N 2 2 298.431 -0.006 20 0 CBADLP CC(C)[NH+](C)CC(=O)NC[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)N(C)C ZINC001420905980 907349252 /nfs/dbraw/zinc/34/92/52/907349252.db2.gz CTPCIJUIKYMAFZ-STQMWFEESA-N 2 2 298.431 -0.006 20 0 CBADLP CC(C)[NH+](C)CC(=O)NC[C@@H]1CC[N@H+]1[C@@H](C)C(=O)N(C)C ZINC001420905980 907349269 /nfs/dbraw/zinc/34/92/69/907349269.db2.gz CTPCIJUIKYMAFZ-STQMWFEESA-N 2 2 298.431 -0.006 20 0 CBADLP Cn1ncc(C[NH2+]C2(CNC(=O)CC[NH+](C)C)CC2)n1 ZINC001420970250 907376422 /nfs/dbraw/zinc/37/64/22/907376422.db2.gz RYERLUPMZOWIKJ-UHFFFAOYSA-N 2 2 280.376 -0.495 20 0 CBADLP Cn1ncnc1C[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001421000761 907384361 /nfs/dbraw/zinc/38/43/61/907384361.db2.gz FNLQZBNTEICFDN-NSHDSACASA-N 2 2 292.387 -0.495 20 0 CBADLP Cn1ncnc1C[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001421000761 907384375 /nfs/dbraw/zinc/38/43/75/907384375.db2.gz FNLQZBNTEICFDN-NSHDSACASA-N 2 2 292.387 -0.495 20 0 CBADLP CCC[N@H+](C)CC(=O)NCC1([NH2+]Cc2cnn(C)n2)CC1 ZINC001420996001 907386525 /nfs/dbraw/zinc/38/65/25/907386525.db2.gz TYUPWWXIINSXFU-UHFFFAOYSA-N 2 2 294.403 -0.105 20 0 CBADLP CCC[N@@H+](C)CC(=O)NCC1([NH2+]Cc2cnn(C)n2)CC1 ZINC001420996001 907386538 /nfs/dbraw/zinc/38/65/38/907386538.db2.gz TYUPWWXIINSXFU-UHFFFAOYSA-N 2 2 294.403 -0.105 20 0 CBADLP COC[C@H](O)C[NH+]1CC(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001421061713 907411790 /nfs/dbraw/zinc/41/17/90/907411790.db2.gz GAVKEHNBDWIHJC-GFCCVEGCSA-N 2 2 285.388 -0.864 20 0 CBADLP CC[C@@H]([NH2+]C[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1)C(N)=O ZINC001421131056 907438284 /nfs/dbraw/zinc/43/82/84/907438284.db2.gz AQCRLHWRWSIASS-VXGBXAGGSA-N 2 2 293.371 -0.203 20 0 CBADLP CC[C@@H](C(=O)NCC1C[NH+]([C@@H](C)C(=O)NC)C1)[NH+](C)C ZINC001421182869 907454325 /nfs/dbraw/zinc/45/43/25/907454325.db2.gz UMGXUVFQIXZLGV-JQWIXIFHSA-N 2 2 284.404 -0.491 20 0 CBADLP CCC[N@H+](C)CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2[C@H]1CCNC1=O ZINC001421209414 907461769 /nfs/dbraw/zinc/46/17/69/907461769.db2.gz BYEGTFMWZOURFF-AVGNSLFASA-N 2 2 294.399 -0.498 20 0 CBADLP CCC[N@@H+](C)CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2[C@H]1CCNC1=O ZINC001421209414 907461784 /nfs/dbraw/zinc/46/17/84/907461784.db2.gz BYEGTFMWZOURFF-AVGNSLFASA-N 2 2 294.399 -0.498 20 0 CBADLP CCC[NH+](C)CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H]1CCNC1=O ZINC001421209414 907461799 /nfs/dbraw/zinc/46/17/99/907461799.db2.gz BYEGTFMWZOURFF-AVGNSLFASA-N 2 2 294.399 -0.498 20 0 CBADLP CCC[NH+](C)CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CCNC1=O ZINC001421209414 907461813 /nfs/dbraw/zinc/46/18/13/907461813.db2.gz BYEGTFMWZOURFF-AVGNSLFASA-N 2 2 294.399 -0.498 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2[C@H]1CCNC1=O ZINC001421211131 907465155 /nfs/dbraw/zinc/46/51/55/907465155.db2.gz BYVHNGZHRWSXNQ-AVGNSLFASA-N 2 2 294.399 -0.500 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2[C@H]1CCNC1=O ZINC001421211131 907465164 /nfs/dbraw/zinc/46/51/64/907465164.db2.gz BYVHNGZHRWSXNQ-AVGNSLFASA-N 2 2 294.399 -0.500 20 0 CBADLP CC(C)[NH+](C)CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H]1CCNC1=O ZINC001421211131 907465171 /nfs/dbraw/zinc/46/51/71/907465171.db2.gz BYVHNGZHRWSXNQ-AVGNSLFASA-N 2 2 294.399 -0.500 20 0 CBADLP CC(C)[NH+](C)CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CCNC1=O ZINC001421211131 907465176 /nfs/dbraw/zinc/46/51/76/907465176.db2.gz BYVHNGZHRWSXNQ-AVGNSLFASA-N 2 2 294.399 -0.500 20 0 CBADLP CC[N@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC(=O)N(C)C ZINC001421218539 907467391 /nfs/dbraw/zinc/46/73/91/907467391.db2.gz RKZQQIGUJZCJEJ-STQMWFEESA-N 2 2 296.415 -0.299 20 0 CBADLP CC[N@@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC(=O)N(C)C ZINC001421218539 907467396 /nfs/dbraw/zinc/46/73/96/907467396.db2.gz RKZQQIGUJZCJEJ-STQMWFEESA-N 2 2 296.415 -0.299 20 0 CBADLP CC[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC(=O)N(C)C ZINC001421218539 907467401 /nfs/dbraw/zinc/46/74/01/907467401.db2.gz RKZQQIGUJZCJEJ-STQMWFEESA-N 2 2 296.415 -0.299 20 0 CBADLP CC[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC(=O)N(C)C ZINC001421218539 907467408 /nfs/dbraw/zinc/46/74/08/907467408.db2.gz RKZQQIGUJZCJEJ-STQMWFEESA-N 2 2 296.415 -0.299 20 0 CBADLP CC[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CC(=O)N(C)C ZINC001421464658 907556659 /nfs/dbraw/zinc/55/66/59/907556659.db2.gz CLDPMMZKKNDLOZ-SNVBAGLBSA-N 2 2 281.360 -0.475 20 0 CBADLP CO[C@H](C)C[NH+]1CC(O)(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001421467575 907558905 /nfs/dbraw/zinc/55/89/05/907558905.db2.gz SUWGQOWVDUSZGC-OLZOCXBDSA-N 2 2 299.415 -0.332 20 0 CBADLP CO[C@H](C)C[NH+]1CC(O)(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001421467575 907558915 /nfs/dbraw/zinc/55/89/15/907558915.db2.gz SUWGQOWVDUSZGC-OLZOCXBDSA-N 2 2 299.415 -0.332 20 0 CBADLP CNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001421730613 907630542 /nfs/dbraw/zinc/63/05/42/907630542.db2.gz LOZSZVUFCWRASW-HBNTYKKESA-N 2 2 293.371 -0.399 20 0 CBADLP CNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001421730613 907630554 /nfs/dbraw/zinc/63/05/54/907630554.db2.gz LOZSZVUFCWRASW-HBNTYKKESA-N 2 2 293.371 -0.399 20 0 CBADLP CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001421752342 907637223 /nfs/dbraw/zinc/63/72/23/907637223.db2.gz WKKSTLYINXMOKG-JTQLQIEISA-N 2 2 281.360 -0.570 20 0 CBADLP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2C[NH+](CCO)CCO2)C1 ZINC001421802193 907646407 /nfs/dbraw/zinc/64/64/07/907646407.db2.gz RCYHKOXWXMKFIC-CHWSQXEVSA-N 2 2 285.388 -0.863 20 0 CBADLP C[N@H+]1CC[C@H](CC(=O)NC[C@@H]2C[NH+](CCO)CCO2)C1 ZINC001421802193 907646416 /nfs/dbraw/zinc/64/64/16/907646416.db2.gz RCYHKOXWXMKFIC-CHWSQXEVSA-N 2 2 285.388 -0.863 20 0 CBADLP C[NH+]1CC[C@H](CC(=O)NC[C@@H]2C[N@H+](CCO)CCO2)C1 ZINC001421802193 907646429 /nfs/dbraw/zinc/64/64/29/907646429.db2.gz RCYHKOXWXMKFIC-CHWSQXEVSA-N 2 2 285.388 -0.863 20 0 CBADLP C[NH+]1CC[C@H](CC(=O)NC[C@@H]2C[N@@H+](CCO)CCO2)C1 ZINC001421802193 907646438 /nfs/dbraw/zinc/64/64/38/907646438.db2.gz RCYHKOXWXMKFIC-CHWSQXEVSA-N 2 2 285.388 -0.863 20 0 CBADLP COCC[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001421806253 907647104 /nfs/dbraw/zinc/64/71/04/907647104.db2.gz CFGIWUZTLDECGO-ZIAGYGMSSA-N 2 2 299.415 -0.208 20 0 CBADLP COCC[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001421806253 907647114 /nfs/dbraw/zinc/64/71/14/907647114.db2.gz CFGIWUZTLDECGO-ZIAGYGMSSA-N 2 2 299.415 -0.208 20 0 CBADLP COCC[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001421806253 907647125 /nfs/dbraw/zinc/64/71/25/907647125.db2.gz CFGIWUZTLDECGO-ZIAGYGMSSA-N 2 2 299.415 -0.208 20 0 CBADLP COCC[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001421806253 907647135 /nfs/dbraw/zinc/64/71/35/907647135.db2.gz CFGIWUZTLDECGO-ZIAGYGMSSA-N 2 2 299.415 -0.208 20 0 CBADLP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2C[NH+](CCO)CCO2)C1 ZINC001421802202 907648133 /nfs/dbraw/zinc/64/81/33/907648133.db2.gz RCYHKOXWXMKFIC-QWHCGFSZSA-N 2 2 285.388 -0.863 20 0 CBADLP C[N@H+]1CC[C@@H](CC(=O)NC[C@@H]2C[NH+](CCO)CCO2)C1 ZINC001421802202 907648136 /nfs/dbraw/zinc/64/81/36/907648136.db2.gz RCYHKOXWXMKFIC-QWHCGFSZSA-N 2 2 285.388 -0.863 20 0 CBADLP C[NH+]1CC[C@@H](CC(=O)NC[C@@H]2C[N@H+](CCO)CCO2)C1 ZINC001421802202 907648140 /nfs/dbraw/zinc/64/81/40/907648140.db2.gz RCYHKOXWXMKFIC-QWHCGFSZSA-N 2 2 285.388 -0.863 20 0 CBADLP C[NH+]1CC[C@@H](CC(=O)NC[C@@H]2C[N@@H+](CCO)CCO2)C1 ZINC001421802202 907648143 /nfs/dbraw/zinc/64/81/43/907648143.db2.gz RCYHKOXWXMKFIC-QWHCGFSZSA-N 2 2 285.388 -0.863 20 0 CBADLP C[NH+](C)CCC(=O)N[C@@H]1COC2(C[NH+](CCCO)C2)C1 ZINC001421927579 907681966 /nfs/dbraw/zinc/68/19/66/907681966.db2.gz JCYXLWWDWVBURU-LBPRGKRZSA-N 2 2 285.388 -0.720 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001421960045 907692032 /nfs/dbraw/zinc/69/20/32/907692032.db2.gz NEQCEDSJOYXNHS-ZJUUUORDSA-N 2 2 281.360 -0.477 20 0 CBADLP COC[C@@H](O)C[NH2+]C[C@H](C)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001421961379 907692306 /nfs/dbraw/zinc/69/23/06/907692306.db2.gz RIKAKWIGENGAID-JQWIXIFHSA-N 2 2 284.360 -0.604 20 0 CBADLP COC[C@@H](O)C[NH2+]C[C@H](C)N(C)C(=O)Cc1c[nH+]cn1C ZINC001421998270 907701514 /nfs/dbraw/zinc/70/15/14/907701514.db2.gz UCTUJBFCIIOSTR-AAEUAGOBSA-N 2 2 298.387 -0.594 20 0 CBADLP C[N@H+](C[C@H](O)C[NH+]1CCC(Cc2nn[nH]n2)CC1)C1CC1 ZINC001422188786 907741279 /nfs/dbraw/zinc/74/12/79/907741279.db2.gz GESRQQZOXGZHLV-ZDUSSCGKSA-N 2 2 294.403 -0.091 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH+]1CCC(Cc2nn[nH]n2)CC1)C1CC1 ZINC001422188786 907741291 /nfs/dbraw/zinc/74/12/91/907741291.db2.gz GESRQQZOXGZHLV-ZDUSSCGKSA-N 2 2 294.403 -0.091 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)NC1(CO)CC[NH+](CCF)CC1 ZINC001422200503 907742919 /nfs/dbraw/zinc/74/29/19/907742919.db2.gz YWROWFRXXJVOPD-LBPRGKRZSA-N 2 2 287.379 -0.007 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)NC1(CO)CC[NH+](CCF)CC1 ZINC001422200503 907742929 /nfs/dbraw/zinc/74/29/29/907742929.db2.gz YWROWFRXXJVOPD-LBPRGKRZSA-N 2 2 287.379 -0.007 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+](C)CCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001422207596 907746204 /nfs/dbraw/zinc/74/62/04/907746204.db2.gz KHZPADPLBMSQOZ-NSHDSACASA-N 2 2 281.360 -0.394 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001422207596 907746215 /nfs/dbraw/zinc/74/62/15/907746215.db2.gz KHZPADPLBMSQOZ-NSHDSACASA-N 2 2 281.360 -0.394 20 0 CBADLP CCC[N@H+](C)CC(=O)N(C)CC[NH+](C)CC(=O)N1CCC1 ZINC001422221384 907753589 /nfs/dbraw/zinc/75/35/89/907753589.db2.gz AGSINMYIWFAPKQ-UHFFFAOYSA-N 2 2 298.431 -0.049 20 0 CBADLP CCC[N@@H+](C)CC(=O)N(C)CC[NH+](C)CC(=O)N1CCC1 ZINC001422221384 907753596 /nfs/dbraw/zinc/75/35/96/907753596.db2.gz AGSINMYIWFAPKQ-UHFFFAOYSA-N 2 2 298.431 -0.049 20 0 CBADLP CCC[NH+](C)CC(=O)N(C)CC[N@H+](C)CC(=O)N1CCC1 ZINC001422221384 907753604 /nfs/dbraw/zinc/75/36/04/907753604.db2.gz AGSINMYIWFAPKQ-UHFFFAOYSA-N 2 2 298.431 -0.049 20 0 CBADLP CCC[NH+](C)CC(=O)N(C)CC[N@@H+](C)CC(=O)N1CCC1 ZINC001422221384 907753611 /nfs/dbraw/zinc/75/36/11/907753611.db2.gz AGSINMYIWFAPKQ-UHFFFAOYSA-N 2 2 298.431 -0.049 20 0 CBADLP CCNC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001422329521 907801657 /nfs/dbraw/zinc/80/16/57/907801657.db2.gz QXTBVUTWYSTOSP-WDEREUQCSA-N 2 2 295.387 -0.039 20 0 CBADLP CCNC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001422329521 907801666 /nfs/dbraw/zinc/80/16/66/907801666.db2.gz QXTBVUTWYSTOSP-WDEREUQCSA-N 2 2 295.387 -0.039 20 0 CBADLP Cc1cnc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CCC[N@H+]2C)o1 ZINC001422350901 907815869 /nfs/dbraw/zinc/81/58/69/907815869.db2.gz MMNVZMSCWYMAIX-VXGBXAGGSA-N 2 2 296.371 -0.356 20 0 CBADLP Cc1cnc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CCC[N@@H+]2C)o1 ZINC001422350901 907815885 /nfs/dbraw/zinc/81/58/85/907815885.db2.gz MMNVZMSCWYMAIX-VXGBXAGGSA-N 2 2 296.371 -0.356 20 0 CBADLP Cc1noc([C@@H](C)[NH2+]C[C@@H](O)CNC(=O)CC[NH+](C)C)n1 ZINC001422350069 907816631 /nfs/dbraw/zinc/81/66/31/907816631.db2.gz RVYDYMUVQZZAAW-MWLCHTKSSA-N 2 2 299.375 -0.543 20 0 CBADLP O=C(NC[C@@H](O)C[NH2+]CC1CC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001422353758 907819838 /nfs/dbraw/zinc/81/98/38/907819838.db2.gz RNBUABVDNNVHRJ-OLZOCXBDSA-N 2 2 292.383 -0.078 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H](O)C[NH2+]C[C@H]1CCOC1 ZINC001422372177 907831680 /nfs/dbraw/zinc/83/16/80/907831680.db2.gz PSIORDHRNHRBDM-ZYHUDNBSSA-N 2 2 282.344 -0.945 20 0 CBADLP C[C@H](CC[NH2+][C@@H]1CCNC1=O)NC(=O)CCn1cc[nH+]c1 ZINC001422430280 907852127 /nfs/dbraw/zinc/85/21/27/907852127.db2.gz SEWAFKSFMPUXNN-VXGBXAGGSA-N 2 2 293.371 -0.354 20 0 CBADLP CCN(CC[NH2+][C@H](C)C(=O)N(C)C)C(=O)Cn1cc[nH+]c1 ZINC001422454812 907869236 /nfs/dbraw/zinc/86/92/36/907869236.db2.gz WIYBHCQHWXSOFY-GFCCVEGCSA-N 2 2 295.387 -0.202 20 0 CBADLP Cc1nocc1C[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001422474736 907881583 /nfs/dbraw/zinc/88/15/83/907881583.db2.gz IGARUSRKAVGKFL-MFKMUULPSA-N 2 2 296.371 -0.092 20 0 CBADLP Cc1nocc1C[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001422474736 907881588 /nfs/dbraw/zinc/88/15/88/907881588.db2.gz IGARUSRKAVGKFL-MFKMUULPSA-N 2 2 296.371 -0.092 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@]2(CCOC2=O)C1 ZINC001422506229 907896090 /nfs/dbraw/zinc/89/60/90/907896090.db2.gz VNHQPDQGNGYZMX-GXTWGEPZSA-N 2 2 286.372 -0.436 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@]2(CCOC2=O)C1 ZINC001422506229 907896104 /nfs/dbraw/zinc/89/61/04/907896104.db2.gz VNHQPDQGNGYZMX-GXTWGEPZSA-N 2 2 286.372 -0.436 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@]2(CCOC2=O)C1 ZINC001422506229 907896117 /nfs/dbraw/zinc/89/61/17/907896117.db2.gz VNHQPDQGNGYZMX-GXTWGEPZSA-N 2 2 286.372 -0.436 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@]2(CCOC2=O)C1 ZINC001422506229 907896131 /nfs/dbraw/zinc/89/61/31/907896131.db2.gz VNHQPDQGNGYZMX-GXTWGEPZSA-N 2 2 286.372 -0.436 20 0 CBADLP CO[C@H](C)C[NH+]1CC(CCO)(NC(=O)C[NH+]2CCCC2)C1 ZINC001422646159 907962186 /nfs/dbraw/zinc/96/21/86/907962186.db2.gz JVOGLLOUGXLPEF-CYBMUJFWSA-N 2 2 299.415 -0.330 20 0 CBADLP COC[C@@H](C)[NH+]1CC(CCO)(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001422649270 907965672 /nfs/dbraw/zinc/96/56/72/907965672.db2.gz YLERQRVZTXKGDZ-OLZOCXBDSA-N 2 2 299.415 -0.474 20 0 CBADLP COC[C@@H](C)[NH+]1CC(CCO)(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001422649270 907965687 /nfs/dbraw/zinc/96/56/87/907965687.db2.gz YLERQRVZTXKGDZ-OLZOCXBDSA-N 2 2 299.415 -0.474 20 0 CBADLP COC[C@H](C)[NH+]1CC(CCO)(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001422649276 907967928 /nfs/dbraw/zinc/96/79/28/907967928.db2.gz YLERQRVZTXKGDZ-STQMWFEESA-N 2 2 299.415 -0.474 20 0 CBADLP COC[C@H](C)[NH+]1CC(CCO)(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001422649276 907967941 /nfs/dbraw/zinc/96/79/41/907967941.db2.gz YLERQRVZTXKGDZ-STQMWFEESA-N 2 2 299.415 -0.474 20 0 CBADLP CC[C@H](C(=O)N[C@@H](C)C1C[NH+](CC(N)=O)C1)[NH+](C)C ZINC001422751151 907993851 /nfs/dbraw/zinc/99/38/51/907993851.db2.gz JEHGULMPFIDEHF-GXSJLCMTSA-N 2 2 270.377 -0.752 20 0 CBADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CC(=O)NC)CC1(C)C)[NH+](C)C ZINC001422812790 908022307 /nfs/dbraw/zinc/02/23/07/908022307.db2.gz WCBWMZVYTZAJPT-NWDGAFQWSA-N 2 2 298.431 -0.101 20 0 CBADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)NC)CC1(C)C)[NH+](C)C ZINC001422812790 908022326 /nfs/dbraw/zinc/02/23/26/908022326.db2.gz WCBWMZVYTZAJPT-NWDGAFQWSA-N 2 2 298.431 -0.101 20 0 CBADLP C[C@@H]([NH2+]CCO)[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CCO1 ZINC001422848173 908035048 /nfs/dbraw/zinc/03/50/48/908035048.db2.gz CWCSDIIPAZDPCC-OLZOCXBDSA-N 2 2 296.371 -0.529 20 0 CBADLP CNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001422905903 908051001 /nfs/dbraw/zinc/05/10/01/908051001.db2.gz KHCPNYZQYVVSOJ-MGCOHNPYSA-N 2 2 279.344 -0.817 20 0 CBADLP COC[C@H](O)C[N@H+](C)C[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001422923390 908057772 /nfs/dbraw/zinc/05/77/72/908057772.db2.gz KQBDYFHUDBWSGP-WCQYABFASA-N 2 2 298.387 -0.594 20 0 CBADLP COC[C@H](O)C[N@@H+](C)C[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001422923390 908057786 /nfs/dbraw/zinc/05/77/86/908057786.db2.gz KQBDYFHUDBWSGP-WCQYABFASA-N 2 2 298.387 -0.594 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001423020826 908078563 /nfs/dbraw/zinc/07/85/63/908078563.db2.gz DYYPLKIRDIKYQO-LLVKDONJSA-N 2 2 279.344 -0.817 20 0 CBADLP C[C@H](CN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1)[NH2+]CCO ZINC001423083430 908103198 /nfs/dbraw/zinc/10/31/98/908103198.db2.gz NEUUCMAYTVLTQM-NEPJUHHUSA-N 2 2 280.372 -0.126 20 0 CBADLP C[C@H](CN(C)C(=O)CCc1c[nH]c[nH+]1)[NH2+][C@H]1CCNC1=O ZINC001423081299 908103858 /nfs/dbraw/zinc/10/38/58/908103858.db2.gz SKZHXBOILJYTEA-PWSUYJOCSA-N 2 2 293.371 -0.333 20 0 CBADLP C[C@H](CN(C)C(=O)CCc1c[nH+]c[nH]1)[NH2+][C@H]1CCNC1=O ZINC001423081299 908103870 /nfs/dbraw/zinc/10/38/70/908103870.db2.gz SKZHXBOILJYTEA-PWSUYJOCSA-N 2 2 293.371 -0.333 20 0 CBADLP COC[C@@H](O)C[NH2+][C@H](C)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001423138674 908118035 /nfs/dbraw/zinc/11/80/35/908118035.db2.gz OKYSUWSVSNBSOZ-PWSUYJOCSA-N 2 2 284.360 -0.604 20 0 CBADLP C[C@@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+]CC(=O)N1CCC1 ZINC001423187286 908141477 /nfs/dbraw/zinc/14/14/77/908141477.db2.gz QQRCSSIFTZZTON-LBPRGKRZSA-N 2 2 293.371 -0.448 20 0 CBADLP Cn1cc(C[NH2+]C2(CNC(=O)[C@H]3CCC[N@@H+]3C)CC2)nn1 ZINC001423251164 908176070 /nfs/dbraw/zinc/17/60/70/908176070.db2.gz IYHAFARWSSJIQF-GFCCVEGCSA-N 2 2 292.387 -0.352 20 0 CBADLP Cn1cc(C[NH2+]C2(CNC(=O)[C@H]3CCC[N@H+]3C)CC2)nn1 ZINC001423251164 908176073 /nfs/dbraw/zinc/17/60/73/908176073.db2.gz IYHAFARWSSJIQF-GFCCVEGCSA-N 2 2 292.387 -0.352 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](CO)[NH2+]C[C@@H]1CCOC1 ZINC001423288968 908190852 /nfs/dbraw/zinc/19/08/52/908190852.db2.gz OVCYLLBATXKEQQ-RYUDHWBXSA-N 2 2 296.371 -0.636 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001423299743 908194939 /nfs/dbraw/zinc/19/49/39/908194939.db2.gz SQGHNXLACPNAHN-SNVBAGLBSA-N 2 2 293.371 -0.366 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H](CO)[NH2+]C[C@H]1CCCOC1 ZINC001423310576 908200363 /nfs/dbraw/zinc/20/03/63/908200363.db2.gz WTSHZCHXVKNOGS-VXGBXAGGSA-N 2 2 296.371 -0.555 20 0 CBADLP CNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CCn2cc[nH+]c2)C1 ZINC001423334822 908206665 /nfs/dbraw/zinc/20/66/65/908206665.db2.gz RTXKBSWCIBLZCT-NWDGAFQWSA-N 2 2 293.371 -0.402 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001423485173 908251005 /nfs/dbraw/zinc/25/10/05/908251005.db2.gz XRATXUYWKSYGJV-NEPJUHHUSA-N 2 2 293.371 -0.402 20 0 CBADLP COC[C@@H](C)[N@H+](C)C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001423541589 908271583 /nfs/dbraw/zinc/27/15/83/908271583.db2.gz IFHGTEVXEQLAJP-OLZOCXBDSA-N 2 2 298.387 -0.331 20 0 CBADLP COC[C@@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001423541589 908271594 /nfs/dbraw/zinc/27/15/94/908271594.db2.gz IFHGTEVXEQLAJP-OLZOCXBDSA-N 2 2 298.387 -0.331 20 0 CBADLP CN(C[C@H](O)C[N@H+](C)CCF)C(=O)Cn1cc[nH+]c1 ZINC001423543638 908275278 /nfs/dbraw/zinc/27/52/78/908275278.db2.gz MHZZAUMTWZFROM-LLVKDONJSA-N 2 2 272.324 -0.396 20 0 CBADLP CN(C[C@H](O)C[N@@H+](C)CCF)C(=O)Cn1cc[nH+]c1 ZINC001423543638 908275290 /nfs/dbraw/zinc/27/52/90/908275290.db2.gz MHZZAUMTWZFROM-LLVKDONJSA-N 2 2 272.324 -0.396 20 0 CBADLP CC(C)N(CC[N@@H+](C)CC(N)=O)C(=O)[C@H]1CC[NH+](C)C1 ZINC001423574020 908284870 /nfs/dbraw/zinc/28/48/70/908284870.db2.gz ALQBQYFLSILMNB-LBPRGKRZSA-N 2 2 284.404 -0.408 20 0 CBADLP CC(C)N(CC[N@H+](C)CC(N)=O)C(=O)[C@H]1CC[NH+](C)C1 ZINC001423574020 908284857 /nfs/dbraw/zinc/28/48/57/908284857.db2.gz ALQBQYFLSILMNB-LBPRGKRZSA-N 2 2 284.404 -0.408 20 0 CBADLP CC(C)N(CC[NH+](C)CC(N)=O)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001423574020 908284885 /nfs/dbraw/zinc/28/48/85/908284885.db2.gz ALQBQYFLSILMNB-LBPRGKRZSA-N 2 2 284.404 -0.408 20 0 CBADLP CC(C)N(CC[NH+](C)CC(N)=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001423574020 908284901 /nfs/dbraw/zinc/28/49/01/908284901.db2.gz ALQBQYFLSILMNB-LBPRGKRZSA-N 2 2 284.404 -0.408 20 0 CBADLP C[C@H](O)C[N@@H+]1CC[C@@](C)(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001423577826 908286858 /nfs/dbraw/zinc/28/68/58/908286858.db2.gz DOKKCBYDRQOUDW-SMDDNHRTSA-N 2 2 280.372 -0.076 20 0 CBADLP C[C@H](O)C[N@H+]1CC[C@@](C)(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001423577826 908286864 /nfs/dbraw/zinc/28/68/64/908286864.db2.gz DOKKCBYDRQOUDW-SMDDNHRTSA-N 2 2 280.372 -0.076 20 0 CBADLP CO[C@@H](C)C[NH+]1CC(O)(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001423834606 908348694 /nfs/dbraw/zinc/34/86/94/908348694.db2.gz SUWGQOWVDUSZGC-QWHCGFSZSA-N 2 2 299.415 -0.332 20 0 CBADLP CO[C@@H](C)C[NH+]1CC(O)(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001423834606 908348712 /nfs/dbraw/zinc/34/87/12/908348712.db2.gz SUWGQOWVDUSZGC-QWHCGFSZSA-N 2 2 299.415 -0.332 20 0 CBADLP C[C@@H](O)CCC[NH+]1CC(O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001423829939 908352425 /nfs/dbraw/zinc/35/24/25/908352425.db2.gz QHBLXCYBDAQYRS-CHWSQXEVSA-N 2 2 299.415 -0.596 20 0 CBADLP C[C@@H](O)CCC[NH+]1CC(O)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001423829939 908352441 /nfs/dbraw/zinc/35/24/41/908352441.db2.gz QHBLXCYBDAQYRS-CHWSQXEVSA-N 2 2 299.415 -0.596 20 0 CBADLP CC[NH+](CC)C[C@H](C)NS(=O)(=O)N1CC[NH+](C)CC1 ZINC001423943686 908373973 /nfs/dbraw/zinc/37/39/73/908373973.db2.gz RSQVMWPHUFFCTK-LBPRGKRZSA-N 2 2 292.449 -0.202 20 0 CBADLP C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)[C@H](C)NC(=O)CC[NH+](C)C ZINC001423980473 908377349 /nfs/dbraw/zinc/37/73/49/908377349.db2.gz WLRIFXQOPDFXTG-WDEREUQCSA-N 2 2 295.387 -0.087 20 0 CBADLP CC[C@@H]([NH2+][C@@H](C)CCNC(=O)Cc1c[nH+]cn1C)C(N)=O ZINC001424616709 908478339 /nfs/dbraw/zinc/47/83/39/908478339.db2.gz QJZPQEHJAZKKBO-CMPLNLGQSA-N 2 2 295.387 -0.289 20 0 CBADLP C[C@@H]([NH2+]CC1CC(NC(=O)CCn2cc[nH+]c2)C1)C(N)=O ZINC001424729829 908492837 /nfs/dbraw/zinc/49/28/37/908492837.db2.gz NIHLOFMNNZDYKP-VOMCLLRMSA-N 2 2 293.371 -0.369 20 0 CBADLP C[C@@H](NC(=O)CCc1c[nH+]cn1C)[C@H](C)[NH2+]CC(N)=O ZINC001424832338 908513487 /nfs/dbraw/zinc/51/34/87/908513487.db2.gz GUHXMOZMLFDLLW-VHSXEESVSA-N 2 2 281.360 -0.679 20 0 CBADLP C[C@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)[NH2+]Cc1ncnn1C ZINC001424864496 908515754 /nfs/dbraw/zinc/51/57/54/908515754.db2.gz QUMIECSDHFXTFE-QWRGUYRKSA-N 2 2 291.359 -0.305 20 0 CBADLP CCC[N@H+](C)CC(=O)NC1(CCO)C[NH+](C[C@H](C)O)C1 ZINC001425136156 908581128 /nfs/dbraw/zinc/58/11/28/908581128.db2.gz XRRXWRBQBZXDMW-LBPRGKRZSA-N 2 2 287.404 -0.738 20 0 CBADLP CCC[N@@H+](C)CC(=O)NC1(CCO)C[NH+](C[C@H](C)O)C1 ZINC001425136156 908581140 /nfs/dbraw/zinc/58/11/40/908581140.db2.gz XRRXWRBQBZXDMW-LBPRGKRZSA-N 2 2 287.404 -0.738 20 0 CBADLP C[C@@H]([NH2+]C[C@@H](C1CC1)N(C)C(=O)Cn1cc[nH+]c1)C(N)=O ZINC001425509946 908663091 /nfs/dbraw/zinc/66/30/91/908663091.db2.gz NQEKDWODOHXTOR-PWSUYJOCSA-N 2 2 293.371 -0.417 20 0 CBADLP COC[C@H](O)C[NH2+][C@H](C)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001425692248 908694118 /nfs/dbraw/zinc/69/41/18/908694118.db2.gz IBOZONPVSZBLFX-VXGBXAGGSA-N 2 2 284.360 -0.673 20 0 CBADLP C[C@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+][C@@H]1CCCNC1=O ZINC001425693474 908694291 /nfs/dbraw/zinc/69/42/91/908694291.db2.gz KMSBUERHPLDOQF-VXGBXAGGSA-N 2 2 293.371 -0.402 20 0 CBADLP COC[C@H](O)C[NH2+][C@@H](C)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001425692245 908694660 /nfs/dbraw/zinc/69/46/60/908694660.db2.gz IBOZONPVSZBLFX-NWDGAFQWSA-N 2 2 284.360 -0.673 20 0 CBADLP O=C(Cc1cn2c([nH+]1)CCCC2)NC[C@H](CO)[NH2+]CCF ZINC001425744309 908723100 /nfs/dbraw/zinc/72/31/00/908723100.db2.gz ODXCIYLADMEXRO-GFCCVEGCSA-N 2 2 298.362 -0.202 20 0 CBADLP O=C(NC[C@@H](CO)[NH2+]CC1CC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001425785535 908737250 /nfs/dbraw/zinc/73/72/50/908737250.db2.gz MYTOVCXHAYSOPH-OLZOCXBDSA-N 2 2 292.383 -0.078 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H](CO)[NH2+]C[C@@H]1CCCCO1 ZINC001425818014 908753353 /nfs/dbraw/zinc/75/33/53/908753353.db2.gz GIMAHIPUAHGYCW-OLZOCXBDSA-N 2 2 296.371 -0.412 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@H](CO)[NH2+]Cc1ccns1 ZINC001425849615 908766925 /nfs/dbraw/zinc/76/69/25/908766925.db2.gz PEVQIWVUIZRCIL-SNVBAGLBSA-N 2 2 295.368 -0.394 20 0 CBADLP C[C@@H]1[C@@H]([NH2+]CC(=O)N(C)C)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001425897903 908778688 /nfs/dbraw/zinc/77/86/88/908778688.db2.gz XWJZXRKAYZVZOU-MNOVXSKESA-N 2 2 293.371 -0.381 20 0 CBADLP C[C@@H]1[C@H]([NH2+]CC(=O)N(C)C)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001425897900 908780230 /nfs/dbraw/zinc/78/02/30/908780230.db2.gz XWJZXRKAYZVZOU-GHMZBOCLSA-N 2 2 293.371 -0.381 20 0 CBADLP COC[C@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001426054984 908811526 /nfs/dbraw/zinc/81/15/26/908811526.db2.gz ZXHPYBQFAWEVSY-CMPLNLGQSA-N 2 2 298.387 -0.296 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@H]3C[C@@H](O)C3)C2)CC1 ZINC001426938748 908920911 /nfs/dbraw/zinc/92/09/11/908920911.db2.gz BFSCKFJKJQIRPF-BZPMIXESSA-N 2 2 296.415 -0.023 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N[C@H]3C[C@@H](O)C3)C2)CC1 ZINC001426938748 908920922 /nfs/dbraw/zinc/92/09/22/908920922.db2.gz BFSCKFJKJQIRPF-BZPMIXESSA-N 2 2 296.415 -0.023 20 0 CBADLP C[NH+](C)CCC(=O)N[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001428118039 909080526 /nfs/dbraw/zinc/08/05/26/909080526.db2.gz KKDBOGQDAGCPOR-LBPRGKRZSA-N 2 2 293.371 -0.448 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)[C@H](C)[NH2+]CC(=O)N(C)C ZINC001505737229 921473721 /nfs/dbraw/zinc/47/37/21/921473721.db2.gz CDWXAMLKLJNSFO-VHSXEESVSA-N 2 2 295.387 -0.168 20 0 CBADLP CN(CCNC(=O)Cn1cc[nH+]c1)C(=O)CCC[NH+](C)C ZINC001429338884 909230647 /nfs/dbraw/zinc/23/06/47/909230647.db2.gz KBWQDUKDSSHDAQ-UHFFFAOYSA-N 2 2 295.387 -0.201 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N(C)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001429519638 909253286 /nfs/dbraw/zinc/25/32/86/909253286.db2.gz OHICGMOYFZVVKI-UHFFFAOYSA-N 2 2 295.387 -0.133 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N(C)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001429519638 909253303 /nfs/dbraw/zinc/25/33/03/909253303.db2.gz OHICGMOYFZVVKI-UHFFFAOYSA-N 2 2 295.387 -0.133 20 0 CBADLP C[NH+](C)CCC(=O)N[C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001430267798 909319707 /nfs/dbraw/zinc/31/97/07/909319707.db2.gz PLVPTULAAKGPDS-PHIMTYICSA-N 2 2 293.371 -0.333 20 0 CBADLP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CC(N)=O ZINC001505931326 921503592 /nfs/dbraw/zinc/50/35/92/921503592.db2.gz YDSRUKHUPYNSTF-NEPJUHHUSA-N 2 2 284.404 -0.217 20 0 CBADLP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](C)CC(N)=O ZINC001505931326 921503602 /nfs/dbraw/zinc/50/36/02/921503602.db2.gz YDSRUKHUPYNSTF-NEPJUHHUSA-N 2 2 284.404 -0.217 20 0 CBADLP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CC(N)=O ZINC001505931326 921503584 /nfs/dbraw/zinc/50/35/84/921503584.db2.gz YDSRUKHUPYNSTF-NEPJUHHUSA-N 2 2 284.404 -0.217 20 0 CBADLP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](C)CC(N)=O ZINC001505931326 921503610 /nfs/dbraw/zinc/50/36/10/921503610.db2.gz YDSRUKHUPYNSTF-NEPJUHHUSA-N 2 2 284.404 -0.217 20 0 CBADLP C[NH+](C)CCC(=O)N1CC(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001432476214 909631110 /nfs/dbraw/zinc/63/11/10/909631110.db2.gz AZQMXQTWVQXGNM-UHFFFAOYSA-N 2 2 293.371 -0.522 20 0 CBADLP C[C@H](CNC(=O)CC[NH+](C)C)[N@H+](C)Cc1cnnn1C ZINC001505993507 921522360 /nfs/dbraw/zinc/52/23/60/921522360.db2.gz XRIRZSWNWSOKEX-LLVKDONJSA-N 2 2 282.392 -0.297 20 0 CBADLP C[C@H](CNC(=O)CC[NH+](C)C)[N@@H+](C)Cc1cnnn1C ZINC001505993507 921522367 /nfs/dbraw/zinc/52/23/67/921522367.db2.gz XRIRZSWNWSOKEX-LLVKDONJSA-N 2 2 282.392 -0.297 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC[C@H](C)[N@H+](C)CC(=O)N(C)C ZINC001506058177 921532620 /nfs/dbraw/zinc/53/26/20/921532620.db2.gz ABCSQWKIGKAYMP-NSHDSACASA-N 2 2 295.387 -0.284 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC[C@H](C)[N@@H+](C)CC(=O)N(C)C ZINC001506058177 921532629 /nfs/dbraw/zinc/53/26/29/921532629.db2.gz ABCSQWKIGKAYMP-NSHDSACASA-N 2 2 295.387 -0.284 20 0 CBADLP CC[C@H](C(N)=O)[N@H+](C)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001506069820 921534513 /nfs/dbraw/zinc/53/45/13/921534513.db2.gz WQQDBXVVUQSRLW-GHMZBOCLSA-N 2 2 281.360 -0.417 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+](C)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001506069820 921534526 /nfs/dbraw/zinc/53/45/26/921534526.db2.gz WQQDBXVVUQSRLW-GHMZBOCLSA-N 2 2 281.360 -0.417 20 0 CBADLP COCC[NH+]1CC(CCO)(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001506124826 921551280 /nfs/dbraw/zinc/55/12/80/921551280.db2.gz UIQMNLINZJAHKA-CYBMUJFWSA-N 2 2 299.415 -0.472 20 0 CBADLP COCC[NH+]1CC(CCO)(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001506124826 921551287 /nfs/dbraw/zinc/55/12/87/921551287.db2.gz UIQMNLINZJAHKA-CYBMUJFWSA-N 2 2 299.415 -0.472 20 0 CBADLP COC[C@H](O)C[N@@H+]1CC[C@H]1CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001436325777 910428722 /nfs/dbraw/zinc/42/87/22/910428722.db2.gz SKPXSCGQYBYDQO-QWHCGFSZSA-N 2 2 296.371 -0.508 20 0 CBADLP COC[C@H](O)C[N@H+]1CC[C@H]1CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001436325777 910428738 /nfs/dbraw/zinc/42/87/38/910428738.db2.gz SKPXSCGQYBYDQO-QWHCGFSZSA-N 2 2 296.371 -0.508 20 0 CBADLP NC(=O)C[NH2+][C@H](CNC(=O)CCn1cc[nH+]c1)C1CC1 ZINC001436800357 910486185 /nfs/dbraw/zinc/48/61/85/910486185.db2.gz IJIUSZYOCXQDEM-LLVKDONJSA-N 2 2 279.344 -0.757 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC[C@H]1CCC[N@H+](CCO)C1 ZINC001437004248 910526941 /nfs/dbraw/zinc/52/69/41/910526941.db2.gz GMNFMHRNJXIJTK-GFCCVEGCSA-N 2 2 280.372 -0.217 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC[C@H]1CCC[N@@H+](CCO)C1 ZINC001437004248 910526948 /nfs/dbraw/zinc/52/69/48/910526948.db2.gz GMNFMHRNJXIJTK-GFCCVEGCSA-N 2 2 280.372 -0.217 20 0 CBADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CCn1cncn1 ZINC001437200250 910581995 /nfs/dbraw/zinc/58/19/95/910581995.db2.gz JPLNOAJXNJLHBS-SNVBAGLBSA-N 2 2 277.332 -0.662 20 0 CBADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CCn1cncn1 ZINC001437200249 910584638 /nfs/dbraw/zinc/58/46/38/910584638.db2.gz JPLNOAJXNJLHBS-JTQLQIEISA-N 2 2 277.332 -0.662 20 0 CBADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CCN1CCCC1=O ZINC001437206232 910588090 /nfs/dbraw/zinc/58/80/90/910588090.db2.gz UPIPAWZLEMRUCK-LLVKDONJSA-N 2 2 293.371 -0.331 20 0 CBADLP C[C@@H](CNC(=O)CC[NH+]1CCOCC1)[NH2+]Cc1ccon1 ZINC001437225616 910591924 /nfs/dbraw/zinc/59/19/24/910591924.db2.gz JKLVQSGURCEAHA-LBPRGKRZSA-N 2 2 296.371 -0.009 20 0 CBADLP C[C@H](CCNC(=O)C[C@@H](C)n1cc[nH+]c1)[NH2+]CC(N)=O ZINC001437406022 910629571 /nfs/dbraw/zinc/62/95/71/910629571.db2.gz OOXXEPWYLJKZPE-GHMZBOCLSA-N 2 2 281.360 -0.196 20 0 CBADLP C[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)CC(=O)N1CCC1 ZINC001437484589 910659311 /nfs/dbraw/zinc/65/93/11/910659311.db2.gz SHWVGUIKODGQPX-CYBMUJFWSA-N 2 2 296.415 -0.249 20 0 CBADLP C[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)CC(=O)N1CCC1 ZINC001437484589 910659322 /nfs/dbraw/zinc/65/93/22/910659322.db2.gz SHWVGUIKODGQPX-CYBMUJFWSA-N 2 2 296.415 -0.249 20 0 CBADLP C[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1C)CC(=O)N1CCC1 ZINC001437484589 910659331 /nfs/dbraw/zinc/65/93/31/910659331.db2.gz SHWVGUIKODGQPX-CYBMUJFWSA-N 2 2 296.415 -0.249 20 0 CBADLP C[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1C)CC(=O)N1CCC1 ZINC001437484589 910659344 /nfs/dbraw/zinc/65/93/44/910659344.db2.gz SHWVGUIKODGQPX-CYBMUJFWSA-N 2 2 296.415 -0.249 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001437480947 910661107 /nfs/dbraw/zinc/66/11/07/910661107.db2.gz JBIBBUPLJNJRJU-GFCCVEGCSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001437480947 910661111 /nfs/dbraw/zinc/66/11/11/910661111.db2.gz JBIBBUPLJNJRJU-GFCCVEGCSA-N 2 2 296.415 -0.203 20 0 CBADLP C[NH+](C)CCC(=O)NCC[N@H+](C)CC(=O)NC(C)(C)C ZINC001437517028 910670508 /nfs/dbraw/zinc/67/05/08/910670508.db2.gz WVAAIMPOZUJRLG-UHFFFAOYSA-N 2 2 286.420 -0.099 20 0 CBADLP C[NH+](C)CCC(=O)NCC[N@@H+](C)CC(=O)NC(C)(C)C ZINC001437517028 910670511 /nfs/dbraw/zinc/67/05/11/910670511.db2.gz WVAAIMPOZUJRLG-UHFFFAOYSA-N 2 2 286.420 -0.099 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NCC[N@H+](CCCO)C1CC1 ZINC001437812603 910752733 /nfs/dbraw/zinc/75/27/33/910752733.db2.gz BOLXJTXOIWLDPZ-UHFFFAOYSA-N 2 2 280.372 -0.074 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NCC[N@@H+](CCCO)C1CC1 ZINC001437812603 910752745 /nfs/dbraw/zinc/75/27/45/910752745.db2.gz BOLXJTXOIWLDPZ-UHFFFAOYSA-N 2 2 280.372 -0.074 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N(C)CC[NH2+][C@H]1CCCNC1=O ZINC001437855930 910773795 /nfs/dbraw/zinc/77/37/95/910773795.db2.gz LQDGWMZVVHCJPX-NSHDSACASA-N 2 2 293.371 -0.413 20 0 CBADLP C[C@H](O)C[NH+]1CC([C@H](C)NC(=O)Cn2cc[nH+]c2)C1 ZINC001506682461 921604560 /nfs/dbraw/zinc/60/45/60/921604560.db2.gz MNPBGQYCGPGQHZ-QWRGUYRKSA-N 2 2 266.345 -0.300 20 0 CBADLP C[NH+](C)C1(C(=O)N[C@@H]2C[N@H+](CC(N)=O)CC2(C)C)CCC1 ZINC001506740594 921606629 /nfs/dbraw/zinc/60/66/29/921606629.db2.gz AKAMYMWAERVKPC-LLVKDONJSA-N 2 2 296.415 -0.217 20 0 CBADLP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+](CC(N)=O)CC2(C)C)CCC1 ZINC001506740594 921606637 /nfs/dbraw/zinc/60/66/37/921606637.db2.gz AKAMYMWAERVKPC-LLVKDONJSA-N 2 2 296.415 -0.217 20 0 CBADLP CC[C@@H](C(=O)NCC1C[NH+]([C@@H](C)C(N)=O)C1)[NH+](C)C ZINC001438156663 910829915 /nfs/dbraw/zinc/82/99/15/910829915.db2.gz FLIUWPRJJHNOLB-ONGXEEELSA-N 2 2 270.377 -0.752 20 0 CBADLP CN(C)C(=O)C[NH+]1CC(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001438154193 910832719 /nfs/dbraw/zinc/83/27/19/910832719.db2.gz CFLOCJBFSUEQHM-GFCCVEGCSA-N 2 2 296.415 -0.536 20 0 CBADLP CN(C)C(=O)C[NH+]1CC(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001438154193 910832726 /nfs/dbraw/zinc/83/27/26/910832726.db2.gz CFLOCJBFSUEQHM-GFCCVEGCSA-N 2 2 296.415 -0.536 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001438142028 910832939 /nfs/dbraw/zinc/83/29/39/910832939.db2.gz OKPPBRGUCPXXTD-NSHDSACASA-N 2 2 296.415 -0.360 20 0 CBADLP CC[C@H](C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1)[NH+](C)C ZINC001438206402 910843091 /nfs/dbraw/zinc/84/30/91/910843091.db2.gz OAAXUDPXACKAHR-HBNTYKKESA-N 2 2 270.377 -0.609 20 0 CBADLP CC[C@H](C(=O)N[C@@H]1CC[N@H+]([C@@H](C)C(N)=O)C1)[NH+](C)C ZINC001438206402 910843108 /nfs/dbraw/zinc/84/31/08/910843108.db2.gz OAAXUDPXACKAHR-HBNTYKKESA-N 2 2 270.377 -0.609 20 0 CBADLP CC[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@H](C)C(=O)N(C)C ZINC001438340095 910882988 /nfs/dbraw/zinc/88/29/88/910882988.db2.gz GCGIMLOINNNQJB-MNOVXSKESA-N 2 2 295.387 -0.087 20 0 CBADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+]Cc1ncnn1C ZINC001438553182 910916479 /nfs/dbraw/zinc/91/64/79/910916479.db2.gz QRHLKHBLGMSVFH-LLVKDONJSA-N 2 2 291.359 -0.446 20 0 CBADLP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H]1C[NH+](CCO)CCO1 ZINC001438567404 910925168 /nfs/dbraw/zinc/92/51/68/910925168.db2.gz JQYQHRLRTVYXHU-KBPBESRZSA-N 2 2 299.415 -0.330 20 0 CBADLP C[N@H+]1CCC[C@H]1CCC(=O)NC[C@H]1C[NH+](CCO)CCO1 ZINC001438567404 910925187 /nfs/dbraw/zinc/92/51/87/910925187.db2.gz JQYQHRLRTVYXHU-KBPBESRZSA-N 2 2 299.415 -0.330 20 0 CBADLP C[NH+]1CCC[C@H]1CCC(=O)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001438567404 910925199 /nfs/dbraw/zinc/92/51/99/910925199.db2.gz JQYQHRLRTVYXHU-KBPBESRZSA-N 2 2 299.415 -0.330 20 0 CBADLP C[NH+]1CCC[C@H]1CCC(=O)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001438567404 910925217 /nfs/dbraw/zinc/92/52/17/910925217.db2.gz JQYQHRLRTVYXHU-KBPBESRZSA-N 2 2 299.415 -0.330 20 0 CBADLP C[C@H](O)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001438585752 910928395 /nfs/dbraw/zinc/92/83/95/910928395.db2.gz JITLHTFMHLHLGU-QWHCGFSZSA-N 2 2 285.388 -0.720 20 0 CBADLP C[C@H](O)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001438585752 910928416 /nfs/dbraw/zinc/92/84/16/910928416.db2.gz JITLHTFMHLHLGU-QWHCGFSZSA-N 2 2 285.388 -0.720 20 0 CBADLP C[C@@H](O)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001438585751 910929860 /nfs/dbraw/zinc/92/98/60/910929860.db2.gz JITLHTFMHLHLGU-OLZOCXBDSA-N 2 2 285.388 -0.720 20 0 CBADLP C[C@@H](O)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001438585751 910929871 /nfs/dbraw/zinc/92/98/71/910929871.db2.gz JITLHTFMHLHLGU-OLZOCXBDSA-N 2 2 285.388 -0.720 20 0 CBADLP CC[C@H]([NH2+][C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C(C)C)C(N)=O ZINC001438835061 910973098 /nfs/dbraw/zinc/97/30/98/910973098.db2.gz OAZVVDMXXRGPLK-RYUDHWBXSA-N 2 2 295.387 -0.054 20 0 CBADLP CC(C)[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+][C@@H](C)C(N)=O ZINC001438855581 910975570 /nfs/dbraw/zinc/97/55/70/910975570.db2.gz XUQHXZAUWCTSPP-QWRGUYRKSA-N 2 2 281.360 -0.513 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]([NH2+][C@@H](C)C(N)=O)C(C)C ZINC001438840955 910978617 /nfs/dbraw/zinc/97/86/17/910978617.db2.gz MMKLQWFBAXIHPF-CMPLNLGQSA-N 2 2 295.387 -0.135 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+](C)CCN(C)C(=O)CCn1cc[nH+]c1 ZINC001438896849 910987784 /nfs/dbraw/zinc/98/77/84/910987784.db2.gz HTVFQNDYVUSSQJ-LBPRGKRZSA-N 2 2 295.387 -0.073 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)CCn1cc[nH+]c1 ZINC001438896849 910987805 /nfs/dbraw/zinc/98/78/05/910987805.db2.gz HTVFQNDYVUSSQJ-LBPRGKRZSA-N 2 2 295.387 -0.073 20 0 CBADLP C[C@@H](O)C[NH2+]C[C@@H](O)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001438996613 911046107 /nfs/dbraw/zinc/04/61/07/911046107.db2.gz GFZNAPWSSROQFY-MWLCHTKSSA-N 2 2 292.339 -0.376 20 0 CBADLP COc1cc[nH+]cc1CC(=O)NC[C@@H](O)C[NH2+]C[C@@H](C)O ZINC001438999644 911046633 /nfs/dbraw/zinc/04/66/33/911046633.db2.gz LEVBPDNPEANWLT-PWSUYJOCSA-N 2 2 297.355 -0.920 20 0 CBADLP COc1cc[nH+]cc1CC(=O)NC[C@@H](O)C[NH2+]C[C@H](C)O ZINC001438999642 911048359 /nfs/dbraw/zinc/04/83/59/911048359.db2.gz LEVBPDNPEANWLT-JQWIXIFHSA-N 2 2 297.355 -0.920 20 0 CBADLP CCN(CC[NH2+][C@@H](C)C(N)=O)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001439075823 911086181 /nfs/dbraw/zinc/08/61/81/911086181.db2.gz CKWYJTHEFXNLCA-MNOVXSKESA-N 2 2 295.387 -0.100 20 0 CBADLP CCN(CC[NH2+][C@@H](C)C(N)=O)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001439075823 911086200 /nfs/dbraw/zinc/08/62/00/911086200.db2.gz CKWYJTHEFXNLCA-MNOVXSKESA-N 2 2 295.387 -0.100 20 0 CBADLP CCN(CC[NH2+][C@H](C)C(N)=O)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001439075831 911089431 /nfs/dbraw/zinc/08/94/31/911089431.db2.gz CKWYJTHEFXNLCA-WDEREUQCSA-N 2 2 295.387 -0.100 20 0 CBADLP CCN(CC[NH2+][C@H](C)C(N)=O)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001439075831 911089456 /nfs/dbraw/zinc/08/94/56/911089456.db2.gz CKWYJTHEFXNLCA-WDEREUQCSA-N 2 2 295.387 -0.100 20 0 CBADLP CNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001439220624 911144035 /nfs/dbraw/zinc/14/40/35/911144035.db2.gz CAQWJHYCKLWEIY-QWRGUYRKSA-N 2 2 293.371 -0.714 20 0 CBADLP C[C@@H](C[NH2+]Cc1nc(N(C)C)no1)NC(=O)CC[NH+](C)C ZINC001439247588 911152036 /nfs/dbraw/zinc/15/20/36/911152036.db2.gz YMHZBOFKXOVBSB-JTQLQIEISA-N 2 2 298.391 -0.318 20 0 CBADLP CC[C@H](C)NC(=O)C[NH2+]C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001439254264 911153909 /nfs/dbraw/zinc/15/39/09/911153909.db2.gz VOIAIVRVEBTSRN-QWRGUYRKSA-N 2 2 295.387 -0.039 20 0 CBADLP C[C@@H](C[NH2+]Cc1cncn1C)NC(=O)Cc1c[nH+]cn1C ZINC001439270197 911158776 /nfs/dbraw/zinc/15/87/76/911158776.db2.gz ZYDHANVKLCWWRI-NSHDSACASA-N 2 2 290.371 -0.009 20 0 CBADLP C[C@@H](C[NH2+][C@H]1CCCN(C)C1=O)NC(=O)Cc1[nH]cc[nH+]1 ZINC001439262954 911160263 /nfs/dbraw/zinc/16/02/63/911160263.db2.gz IGJJCIYOVVTMNX-QWRGUYRKSA-N 2 2 293.371 -0.333 20 0 CBADLP Cc1noc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001439283859 911166978 /nfs/dbraw/zinc/16/69/78/911166978.db2.gz VGKJQRLHPQNBLR-ONGXEEELSA-N 2 2 281.360 -0.076 20 0 CBADLP Cc1noc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001439283859 911166990 /nfs/dbraw/zinc/16/69/90/911166990.db2.gz VGKJQRLHPQNBLR-ONGXEEELSA-N 2 2 281.360 -0.076 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1C[C@H](C[NH2+]CCCO)C1 ZINC001506900232 921639885 /nfs/dbraw/zinc/63/98/85/921639885.db2.gz NLFXAKUNNNDGEM-XYPYZODXSA-N 2 2 266.345 -0.181 20 0 CBADLP CC[C@H]([NH2+]C[C@H](NC(=O)Cn1cc[nH+]c1)C1CC1)C(N)=O ZINC001439493139 911221815 /nfs/dbraw/zinc/22/18/15/911221815.db2.gz FWDWLCDJUCIVGB-RYUDHWBXSA-N 2 2 293.371 -0.369 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001439548326 911236933 /nfs/dbraw/zinc/23/69/33/911236933.db2.gz RRTTVRWGTYEEOJ-NWDGAFQWSA-N 2 2 284.404 -0.217 20 0 CBADLP CC[C@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001439548326 911236948 /nfs/dbraw/zinc/23/69/48/911236948.db2.gz RRTTVRWGTYEEOJ-NWDGAFQWSA-N 2 2 284.404 -0.217 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001439564001 911240762 /nfs/dbraw/zinc/24/07/62/911240762.db2.gz TWKRHJZOQDPIHS-AAEUAGOBSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001439564001 911240782 /nfs/dbraw/zinc/24/07/82/911240782.db2.gz TWKRHJZOQDPIHS-AAEUAGOBSA-N 2 2 296.415 -0.217 20 0 CBADLP CC[N@H+](C)CCC(=O)NC[C@H]1CC[NH+]1[C@H](C)C(N)=O ZINC001439563375 911242621 /nfs/dbraw/zinc/24/26/21/911242621.db2.gz RQSPDPZBUCHDIN-GHMZBOCLSA-N 2 2 270.377 -0.608 20 0 CBADLP CC[N@@H+](C)CCC(=O)NC[C@H]1CC[NH+]1[C@H](C)C(N)=O ZINC001439563375 911242633 /nfs/dbraw/zinc/24/26/33/911242633.db2.gz RQSPDPZBUCHDIN-GHMZBOCLSA-N 2 2 270.377 -0.608 20 0 CBADLP CC[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+]1[C@H](C)C(N)=O ZINC001439563375 911242649 /nfs/dbraw/zinc/24/26/49/911242649.db2.gz RQSPDPZBUCHDIN-GHMZBOCLSA-N 2 2 270.377 -0.608 20 0 CBADLP CC[NH+](C)CCC(=O)NC[C@H]1CC[N@H+]1[C@H](C)C(N)=O ZINC001439563375 911242666 /nfs/dbraw/zinc/24/26/66/911242666.db2.gz RQSPDPZBUCHDIN-GHMZBOCLSA-N 2 2 270.377 -0.608 20 0 CBADLP CC[C@@H]([NH2+]C1(CNC(=O)CCc2c[nH]c[nH+]2)CC1)C(N)=O ZINC001439612729 911261475 /nfs/dbraw/zinc/26/14/75/911261475.db2.gz PQVDEVOVFQUGOG-LLVKDONJSA-N 2 2 293.371 -0.155 20 0 CBADLP CC[C@@H](C(=O)NCC1([NH2+]Cc2nncn2C)CC1)[NH+](C)C ZINC001439646831 911265381 /nfs/dbraw/zinc/26/53/81/911265381.db2.gz PZGPOZAJJUWJMO-NSHDSACASA-N 2 2 294.403 -0.106 20 0 CBADLP CN1CC[C@@H]([NH2+]C2(CNC(=O)Cn3cc[nH+]c3)CC2)C1=O ZINC001439686680 911277301 /nfs/dbraw/zinc/27/73/01/911277301.db2.gz ODGVPTMSZHCKCJ-LLVKDONJSA-N 2 2 291.355 -0.648 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+]1CC[C@@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001439866922 911303722 /nfs/dbraw/zinc/30/37/22/911303722.db2.gz BPSPBLFHCWWNIK-IUODEOHRSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+]1CC[C@@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001439866922 911303745 /nfs/dbraw/zinc/30/37/45/911303745.db2.gz BPSPBLFHCWWNIK-IUODEOHRSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+]1CC[C@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001439866919 911305077 /nfs/dbraw/zinc/30/50/77/911305077.db2.gz BPSPBLFHCWWNIK-DOMZBBRYSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+]1CC[C@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001439866919 911305101 /nfs/dbraw/zinc/30/51/01/911305101.db2.gz BPSPBLFHCWWNIK-DOMZBBRYSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+]1CC[C@@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001439866926 911308418 /nfs/dbraw/zinc/30/84/18/911308418.db2.gz BPSPBLFHCWWNIK-SWLSCSKDSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)[C@H](C)[N@H+]1CC[C@@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001439866926 911308439 /nfs/dbraw/zinc/30/84/39/911308439.db2.gz BPSPBLFHCWWNIK-SWLSCSKDSA-N 2 2 296.415 -0.203 20 0 CBADLP CO[C@H](C)C[NH+]1CC(O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001440071383 911374422 /nfs/dbraw/zinc/37/44/22/911374422.db2.gz MYXXSHFRIDRSMG-GFCCVEGCSA-N 2 2 287.404 -0.474 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)C[NH+]1CCCC1 ZINC001440252744 911416920 /nfs/dbraw/zinc/41/69/20/911416920.db2.gz LMMJLOLUWYVCQD-OLZOCXBDSA-N 2 2 296.415 -0.251 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)C[NH+]1CCCC1 ZINC001440252744 911416933 /nfs/dbraw/zinc/41/69/33/911416933.db2.gz LMMJLOLUWYVCQD-OLZOCXBDSA-N 2 2 296.415 -0.251 20 0 CBADLP CO[C@@H](C)C[N@@H+]1CCOC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001440271269 911419805 /nfs/dbraw/zinc/41/98/05/911419805.db2.gz MIISLHJMKPRRIA-STQMWFEESA-N 2 2 287.404 -0.210 20 0 CBADLP CO[C@@H](C)C[N@H+]1CCOC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001440271269 911419815 /nfs/dbraw/zinc/41/98/15/911419815.db2.gz MIISLHJMKPRRIA-STQMWFEESA-N 2 2 287.404 -0.210 20 0 CBADLP CCC[N@H+](C)CC(=O)N(C)C[C@H]1CC[NH+]1[C@H](C)C(N)=O ZINC001440262317 911421912 /nfs/dbraw/zinc/42/19/12/911421912.db2.gz RABUUJDXEWPOAS-VXGBXAGGSA-N 2 2 284.404 -0.265 20 0 CBADLP CCC[N@@H+](C)CC(=O)N(C)C[C@H]1CC[NH+]1[C@H](C)C(N)=O ZINC001440262317 911421919 /nfs/dbraw/zinc/42/19/19/911421919.db2.gz RABUUJDXEWPOAS-VXGBXAGGSA-N 2 2 284.404 -0.265 20 0 CBADLP CCC[NH+](C)CC(=O)N(C)C[C@H]1CC[N@@H+]1[C@H](C)C(N)=O ZINC001440262317 911421927 /nfs/dbraw/zinc/42/19/27/911421927.db2.gz RABUUJDXEWPOAS-VXGBXAGGSA-N 2 2 284.404 -0.265 20 0 CBADLP CCC[NH+](C)CC(=O)N(C)C[C@H]1CC[N@H+]1[C@H](C)C(N)=O ZINC001440262317 911421934 /nfs/dbraw/zinc/42/19/34/911421934.db2.gz RABUUJDXEWPOAS-VXGBXAGGSA-N 2 2 284.404 -0.265 20 0 CBADLP CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)Cn2cc[nH+]c2)n1 ZINC001440450843 911451026 /nfs/dbraw/zinc/45/10/26/911451026.db2.gz QIFRHOLIWSISHX-UHFFFAOYSA-N 2 2 290.327 -0.195 20 0 CBADLP C[C@@H]([NH2+]Cc1nnn(C)n1)[C@H](C)NC(=O)CC[NH+](C)C ZINC001440824297 911521195 /nfs/dbraw/zinc/52/11/95/911521195.db2.gz CCPULQVRYZTYTN-ZJUUUORDSA-N 2 2 283.380 -0.855 20 0 CBADLP C[C@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]Cc1nnn(C)n1 ZINC001440824291 911521424 /nfs/dbraw/zinc/52/14/24/911521424.db2.gz CCPULQVRYZTYTN-UWVGGRQHSA-N 2 2 283.380 -0.855 20 0 CBADLP C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@@H](C)[NH2+]CC(=O)NC1CC1 ZINC001440838299 911521546 /nfs/dbraw/zinc/52/15/46/911521546.db2.gz RLVKXVNVPHWHEZ-NXEZZACHSA-N 2 2 293.371 -0.286 20 0 CBADLP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)[NH2+]Cc1cnnn1C ZINC001440845226 911527997 /nfs/dbraw/zinc/52/79/97/911527997.db2.gz CDYVTVWPNNWORA-WDEREUQCSA-N 2 2 291.359 -0.305 20 0 CBADLP CNC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001440853379 911528149 /nfs/dbraw/zinc/52/81/49/911528149.db2.gz WTSHXJBLKGZUIV-IUCAKERBSA-N 2 2 281.360 -0.511 20 0 CBADLP CCNC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001440847324 911530174 /nfs/dbraw/zinc/53/01/74/911530174.db2.gz GMFDJNSJSAKSEO-QWRGUYRKSA-N 2 2 281.360 -0.498 20 0 CBADLP C[C@@H]([NH2+]Cc1cnnn1C)[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001440856456 911532229 /nfs/dbraw/zinc/53/22/29/911532229.db2.gz ULTWKDFUPXAICS-ZJUUUORDSA-N 2 2 291.359 -0.236 20 0 CBADLP C[C@H]([NH2+]CC(C)(C)CN(C)C(=O)Cn1cc[nH+]c1)C(N)=O ZINC001440891040 911539303 /nfs/dbraw/zinc/53/93/03/911539303.db2.gz WWBHGMAHXLWILQ-NSHDSACASA-N 2 2 295.387 -0.169 20 0 CBADLP C[C@@H]([NH2+]CC(C)(C)CN(C)C(=O)Cn1cc[nH+]c1)C(N)=O ZINC001440891038 911540306 /nfs/dbraw/zinc/54/03/06/911540306.db2.gz WWBHGMAHXLWILQ-LLVKDONJSA-N 2 2 295.387 -0.169 20 0 CBADLP C[C@H](CNC(=O)CCn1cc[nH+]c1)[N@H+](C)[C@H](C)C(N)=O ZINC001440956817 911562692 /nfs/dbraw/zinc/56/26/92/911562692.db2.gz JPZGFTXRQBFKGS-GHMZBOCLSA-N 2 2 281.360 -0.417 20 0 CBADLP C[C@H](CNC(=O)CCn1cc[nH+]c1)[N@@H+](C)[C@H](C)C(N)=O ZINC001440956817 911562699 /nfs/dbraw/zinc/56/26/99/911562699.db2.gz JPZGFTXRQBFKGS-GHMZBOCLSA-N 2 2 281.360 -0.417 20 0 CBADLP C[C@@H](CN(C)C(=O)CCc1c[nH]c[nH+]1)[NH2+]CC(N)=O ZINC001507081292 921671555 /nfs/dbraw/zinc/67/15/55/921671555.db2.gz AUJVEHAAXAYTTO-VIFPVBQESA-N 2 2 267.333 -0.736 20 0 CBADLP C[C@H](CN(C)C(=O)CCc1c[nH]c[nH+]1)[NH2+]CC(N)=O ZINC001507081291 921672188 /nfs/dbraw/zinc/67/21/88/921672188.db2.gz AUJVEHAAXAYTTO-SECBINFHSA-N 2 2 267.333 -0.736 20 0 CBADLP C[C@@H](NC(=O)CC[C@@H]1CCC[N@@H+]1C)C1C[NH+](CC(N)=O)C1 ZINC001441165132 911618131 /nfs/dbraw/zinc/61/81/31/911618131.db2.gz STQDBWLKBWPPOR-YPMHNXCESA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@@H](NC(=O)CC[C@@H]1CCC[N@H+]1C)C1C[NH+](CC(N)=O)C1 ZINC001441165132 911618138 /nfs/dbraw/zinc/61/81/38/911618138.db2.gz STQDBWLKBWPPOR-YPMHNXCESA-N 2 2 296.415 -0.217 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]([NH2+][C@@H](C)C(N)=O)C1CC1 ZINC001441270328 911634643 /nfs/dbraw/zinc/63/46/43/911634643.db2.gz SBOYPDKQAZVAGV-CABZTGNLSA-N 2 2 293.371 -0.381 20 0 CBADLP CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001441368489 911651443 /nfs/dbraw/zinc/65/14/43/911651443.db2.gz JMVGLJPRSRFHEY-XYPYZODXSA-N 2 2 293.371 -0.427 20 0 CBADLP CNC(=O)C[NH2+][C@H](CCNC(=O)Cc1[nH]cc[nH+]1)C(C)C ZINC001441420053 911665755 /nfs/dbraw/zinc/66/57/55/911665755.db2.gz RYRXCHRBCBKFQR-LLVKDONJSA-N 2 2 295.387 -0.181 20 0 CBADLP CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001441407506 911666646 /nfs/dbraw/zinc/66/66/46/911666646.db2.gz LQOHCVWWEZWZET-HAQNSBGRSA-N 2 2 293.371 -0.354 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@@H](C)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001441610245 911715193 /nfs/dbraw/zinc/71/51/93/911715193.db2.gz SAWZEQTYENCHFB-UWVGGRQHSA-N 2 2 281.360 -0.477 20 0 CBADLP C[C@@H]([NH2+][C@@H](C)CN(C)C(=O)CCc1c[nH+]cn1C)C(N)=O ZINC001441632278 911720142 /nfs/dbraw/zinc/72/01/42/911720142.db2.gz ADRJLWSBDVOURO-WDEREUQCSA-N 2 2 295.387 -0.337 20 0 CBADLP C[C@@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)[NH2+][C@@H](C)C(N)=O ZINC001507130057 921686391 /nfs/dbraw/zinc/68/63/91/921686391.db2.gz QRGANVKVHVIGJG-IUCAKERBSA-N 2 2 267.333 -0.738 20 0 CBADLP CCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001441720762 911766248 /nfs/dbraw/zinc/76/62/48/911766248.db2.gz NIFSLYXTYPUMOC-VXGBXAGGSA-N 2 2 280.372 -0.078 20 0 CBADLP CCC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001441720760 911766477 /nfs/dbraw/zinc/76/64/77/911766477.db2.gz NIFSLYXTYPUMOC-NWDGAFQWSA-N 2 2 280.372 -0.078 20 0 CBADLP Cc1cc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CCC[N@H+]2C)on1 ZINC001441728960 911769194 /nfs/dbraw/zinc/76/91/94/911769194.db2.gz IFIHIUKXAVXSRH-WCQYABFASA-N 2 2 296.371 -0.356 20 0 CBADLP Cc1cc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CCC[N@@H+]2C)on1 ZINC001441728960 911769203 /nfs/dbraw/zinc/76/92/03/911769203.db2.gz IFIHIUKXAVXSRH-WCQYABFASA-N 2 2 296.371 -0.356 20 0 CBADLP CCN(C)C(=O)C[NH2+][C@H](C)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001507162286 921693430 /nfs/dbraw/zinc/69/34/30/921693430.db2.gz FYLJZBKMFNKABY-GFCCVEGCSA-N 2 2 295.387 -0.202 20 0 CBADLP Cc1cc(C[NH2+][C@@H](CO)CNC(=O)C[NH+]2CCCC2)no1 ZINC001441803545 911816455 /nfs/dbraw/zinc/81/64/55/911816455.db2.gz VYSQLXSQBNLDPT-CYBMUJFWSA-N 2 2 296.371 -0.354 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@H](O)C[NH2+]C[C@@H](C)O ZINC001442025705 911897142 /nfs/dbraw/zinc/89/71/42/911897142.db2.gz SVOPZZXVEWUNJC-MWLCHTKSSA-N 2 2 284.360 -0.950 20 0 CBADLP CCN(C)C(=O)C[NH2+][C@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001442023903 911899168 /nfs/dbraw/zinc/89/91/68/911899168.db2.gz SKVODFJZDKUJCS-SNVBAGLBSA-N 2 2 295.387 -0.167 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001442188203 911946064 /nfs/dbraw/zinc/94/60/64/911946064.db2.gz YLLCGCSAHVUGTA-NSHDSACASA-N 2 2 293.371 -0.724 20 0 CBADLP COc1cc[nH+]cc1CC(=O)NCC[C@@H](C)[NH2+]CC(N)=O ZINC001442255047 911961414 /nfs/dbraw/zinc/96/14/14/911961414.db2.gz GYZGQJPLGNACSU-SNVBAGLBSA-N 2 2 294.355 -0.398 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@H](C)CCNC(=O)CCn1cc[nH+]c1 ZINC001442278741 911962725 /nfs/dbraw/zinc/96/27/25/911962725.db2.gz BWQQISKPGBEFHT-VXGBXAGGSA-N 2 2 295.387 -0.108 20 0 CBADLP CC[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc1nnn(C)n1)[NH+](C)C ZINC001442317108 911971453 /nfs/dbraw/zinc/97/14/53/911971453.db2.gz GMDPRYQRQYFTHR-MNOVXSKESA-N 2 2 297.407 -0.465 20 0 CBADLP C[C@@H](O)C[N@H+](C)CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001442458349 912020059 /nfs/dbraw/zinc/02/00/59/912020059.db2.gz RPEHHJHNJHPPAB-VXGBXAGGSA-N 2 2 280.372 -0.126 20 0 CBADLP C[C@@H](O)C[N@@H+](C)CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001442458349 912020078 /nfs/dbraw/zinc/02/00/78/912020078.db2.gz RPEHHJHNJHPPAB-VXGBXAGGSA-N 2 2 280.372 -0.126 20 0 CBADLP C[NH+](C)Cc1cccc(C(=O)NCC[N@@H+](C)CC(N)=O)c1 ZINC001442603615 912062256 /nfs/dbraw/zinc/06/22/56/912062256.db2.gz UQSAAQBHYJSMFP-UHFFFAOYSA-N 2 2 292.383 -0.105 20 0 CBADLP CC[N@H+](CCNC(=O)Cn1c[nH+]cc1C)CC(=O)NC ZINC001442687594 912084864 /nfs/dbraw/zinc/08/48/64/912084864.db2.gz DOELKHCVWUJIEK-UHFFFAOYSA-N 2 2 281.360 -0.624 20 0 CBADLP CC[N@@H+](CCNC(=O)Cn1c[nH+]cc1C)CC(=O)NC ZINC001442687594 912084880 /nfs/dbraw/zinc/08/48/80/912084880.db2.gz DOELKHCVWUJIEK-UHFFFAOYSA-N 2 2 281.360 -0.624 20 0 CBADLP CC[N@H+](CCNC(=O)Cc1c[nH+]cn1C)[C@H]1CCNC1=O ZINC001442755457 912098941 /nfs/dbraw/zinc/09/89/41/912098941.db2.gz ZJYMSUHWJFSWAZ-LBPRGKRZSA-N 2 2 293.371 -0.711 20 0 CBADLP CC[N@@H+](CCNC(=O)Cc1c[nH+]cn1C)[C@H]1CCNC1=O ZINC001442755457 912098955 /nfs/dbraw/zinc/09/89/55/912098955.db2.gz ZJYMSUHWJFSWAZ-LBPRGKRZSA-N 2 2 293.371 -0.711 20 0 CBADLP CC(C)[NH2+][C@H](CO)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001507210754 921743628 /nfs/dbraw/zinc/74/36/28/921743628.db2.gz DOSMLBWQVUJETD-NEPJUHHUSA-N 2 2 280.372 -0.079 20 0 CBADLP C[C@H](C(=O)N1CC[N@H+](CCO)C[C@H]1C)N1CC[NH+](C)CC1 ZINC001468956542 915357551 /nfs/dbraw/zinc/35/75/51/915357551.db2.gz WDTJLWXANVGNRL-ZIAGYGMSSA-N 2 2 298.431 -0.853 20 0 CBADLP C[C@H](C(=O)N1CC[N@@H+](CCO)C[C@H]1C)N1CC[NH+](C)CC1 ZINC001468956542 915357570 /nfs/dbraw/zinc/35/75/70/915357570.db2.gz WDTJLWXANVGNRL-ZIAGYGMSSA-N 2 2 298.431 -0.853 20 0 CBADLP COC[C@H](C)[NH2+][C@H](CO)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001507258156 921786684 /nfs/dbraw/zinc/78/66/84/921786684.db2.gz YQQONVYUHOMMKW-ONGXEEELSA-N 2 2 284.360 -0.638 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CC([NH2+]C2CCOCC2)C1 ZINC001471878042 915659904 /nfs/dbraw/zinc/65/99/04/915659904.db2.gz AOBFQSUVRAIAEW-UHFFFAOYSA-N 2 2 264.329 -0.138 20 0 CBADLP COC[C@H](C)[NH2+][C@@H](CO)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001507258153 921788602 /nfs/dbraw/zinc/78/86/02/921788602.db2.gz YQQONVYUHOMMKW-GXSJLCMTSA-N 2 2 284.360 -0.638 20 0 CBADLP O=C(CCc1[nH]cc[nH+]1)N1CC([NH2+][C@H]2CCOC2)C1 ZINC001472080319 915685955 /nfs/dbraw/zinc/68/59/55/915685955.db2.gz NYGHQQYWPYZPGH-JTQLQIEISA-N 2 2 264.329 -0.068 20 0 CBADLP CC[N@@H+]1CCC[C@H](NS(=O)(=O)N2CC[NH+](C)CC2)C1 ZINC001475751216 915957841 /nfs/dbraw/zinc/95/78/41/915957841.db2.gz BWMHNASYSVVERL-LBPRGKRZSA-N 2 2 290.433 -0.448 20 0 CBADLP CC[N@H+]1CCC[C@H](NS(=O)(=O)N2CC[NH+](C)CC2)C1 ZINC001475751216 915957862 /nfs/dbraw/zinc/95/78/62/915957862.db2.gz BWMHNASYSVVERL-LBPRGKRZSA-N 2 2 290.433 -0.448 20 0 CBADLP C[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)Cn2cc[nH+]c2)C1)C(N)=O ZINC001479345366 916119554 /nfs/dbraw/zinc/11/95/54/916119554.db2.gz CRSDPRRMVKCNIG-MXWKQRLJSA-N 2 2 279.344 -0.759 20 0 CBADLP CNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001479407939 916131054 /nfs/dbraw/zinc/13/10/54/916131054.db2.gz IMJFMTYEDIDOAN-XYPYZODXSA-N 2 2 293.371 -0.807 20 0 CBADLP CN(C)C(=O)C[N@H+](C)CCCNC(=O)Cc1c[nH+]cn1C ZINC001479809615 916185829 /nfs/dbraw/zinc/18/58/29/916185829.db2.gz XEACFODGJBYESH-UHFFFAOYSA-N 2 2 295.387 -0.511 20 0 CBADLP CN(C)C(=O)C[N@@H+](C)CCCNC(=O)Cc1c[nH+]cn1C ZINC001479809615 916185838 /nfs/dbraw/zinc/18/58/38/916185838.db2.gz XEACFODGJBYESH-UHFFFAOYSA-N 2 2 295.387 -0.511 20 0 CBADLP CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001479905155 916211624 /nfs/dbraw/zinc/21/16/24/916211624.db2.gz UBTLGLSVRAJDSD-GFCCVEGCSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001479905155 916211640 /nfs/dbraw/zinc/21/16/40/916211640.db2.gz UBTLGLSVRAJDSD-GFCCVEGCSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001479905155 916211656 /nfs/dbraw/zinc/21/16/56/916211656.db2.gz UBTLGLSVRAJDSD-GFCCVEGCSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001479905155 916211669 /nfs/dbraw/zinc/21/16/69/916211669.db2.gz UBTLGLSVRAJDSD-GFCCVEGCSA-N 2 2 296.415 -0.203 20 0 CBADLP C[C@@H]([NH2+][C@@H]1C[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1)C(N)=O ZINC001480226206 916338660 /nfs/dbraw/zinc/33/86/60/916338660.db2.gz NPQYHENFMZGZMC-WHOHXGKFSA-N 2 2 293.371 -0.055 20 0 CBADLP NC(=O)C[NH2+]C[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001480296961 916353332 /nfs/dbraw/zinc/35/33/32/916353332.db2.gz FYTDBQGVBSNGGY-SNVBAGLBSA-N 2 2 279.344 -0.734 20 0 CBADLP C[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+][C@@H](C)C(N)=O ZINC001480473479 916430508 /nfs/dbraw/zinc/43/05/08/916430508.db2.gz GABJQPMATLKDLL-IUCAKERBSA-N 2 2 267.333 -0.690 20 0 CBADLP C[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH2+][C@@H](C)C(N)=O ZINC001480473479 916430515 /nfs/dbraw/zinc/43/05/15/916430515.db2.gz GABJQPMATLKDLL-IUCAKERBSA-N 2 2 267.333 -0.690 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001480474300 916432841 /nfs/dbraw/zinc/43/28/41/916432841.db2.gz JWUSTCBHEJHXQW-ZJUUUORDSA-N 2 2 281.360 -0.429 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001480474300 916432855 /nfs/dbraw/zinc/43/28/55/916432855.db2.gz JWUSTCBHEJHXQW-ZJUUUORDSA-N 2 2 281.360 -0.429 20 0 CBADLP CCCNC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001480542255 916464491 /nfs/dbraw/zinc/46/44/91/916464491.db2.gz KQIRHOLJHZOHOF-GHMZBOCLSA-N 2 2 295.387 -0.039 20 0 CBADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CC(=O)NCC1CC1 ZINC001480560466 916472374 /nfs/dbraw/zinc/47/23/74/916472374.db2.gz DWDLQSVWBPHLAJ-SNVBAGLBSA-N 2 2 293.371 -0.427 20 0 CBADLP CNC(=O)C[NH2+][C@@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001480578540 916483231 /nfs/dbraw/zinc/48/32/31/916483231.db2.gz AHNYVSJNJDFOKA-QMMMGPOBSA-N 2 2 267.333 -0.899 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)[NH2+][C@@H](C)C(=O)N(C)C ZINC001480580608 916484931 /nfs/dbraw/zinc/48/49/31/916484931.db2.gz WKXKTNRESNASQN-KOLCDFICSA-N 2 2 295.387 -0.168 20 0 CBADLP CC[NH+]1CCCC[C@H]1C(=O)NCC[N@@H+](C)CC(N)=O ZINC001480951628 916650075 /nfs/dbraw/zinc/65/00/75/916650075.db2.gz HXLASHXMWSRULA-NSHDSACASA-N 2 2 270.377 -0.606 20 0 CBADLP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH+](C)CC(N)=O ZINC001480951628 916650057 /nfs/dbraw/zinc/65/00/57/916650057.db2.gz HXLASHXMWSRULA-NSHDSACASA-N 2 2 270.377 -0.606 20 0 CBADLP CC[N@H+]1CCCC[C@H]1C(=O)NCC[NH+](C)CC(N)=O ZINC001480951628 916650063 /nfs/dbraw/zinc/65/00/63/916650063.db2.gz HXLASHXMWSRULA-NSHDSACASA-N 2 2 270.377 -0.606 20 0 CBADLP CC[NH+]1CCCC[C@H]1C(=O)NCC[N@H+](C)CC(N)=O ZINC001480951628 916650071 /nfs/dbraw/zinc/65/00/71/916650071.db2.gz HXLASHXMWSRULA-NSHDSACASA-N 2 2 270.377 -0.606 20 0 CBADLP CC[N@H+](CCNC(=O)Cc1c[nH+]cn1C)[C@@H](C)C(N)=O ZINC001481012239 916687208 /nfs/dbraw/zinc/68/72/08/916687208.db2.gz VWUDFRBYDVDXEB-JTQLQIEISA-N 2 2 281.360 -0.726 20 0 CBADLP CC[N@@H+](CCNC(=O)Cc1c[nH+]cn1C)[C@@H](C)C(N)=O ZINC001481012239 916687213 /nfs/dbraw/zinc/68/72/13/916687213.db2.gz VWUDFRBYDVDXEB-JTQLQIEISA-N 2 2 281.360 -0.726 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NCC[N@@H+]([C@@H](C)C(N)=O)C1CC1 ZINC001481196883 916746290 /nfs/dbraw/zinc/74/62/90/916746290.db2.gz REPRGHPPWQNBKM-JTQLQIEISA-N 2 2 293.371 -0.354 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NCC[N@H+]([C@@H](C)C(N)=O)C1CC1 ZINC001481196883 916746299 /nfs/dbraw/zinc/74/62/99/916746299.db2.gz REPRGHPPWQNBKM-JTQLQIEISA-N 2 2 293.371 -0.354 20 0 CBADLP CN(CC[NH2+]Cc1cnon1)C(=O)C1CC[NH+](C)CC1 ZINC001481277924 916804663 /nfs/dbraw/zinc/80/46/63/916804663.db2.gz YCUKKZZIVCKETE-UHFFFAOYSA-N 2 2 281.360 -0.041 20 0 CBADLP CCOCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001481666985 916936006 /nfs/dbraw/zinc/93/60/06/916936006.db2.gz DUFQDAQHCYDKNS-IHRRRGAJSA-N 2 2 297.399 -0.361 20 0 CBADLP CCOCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001481666985 916936013 /nfs/dbraw/zinc/93/60/13/916936013.db2.gz DUFQDAQHCYDKNS-IHRRRGAJSA-N 2 2 297.399 -0.361 20 0 CBADLP CCOCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001481666985 916936021 /nfs/dbraw/zinc/93/60/21/916936021.db2.gz DUFQDAQHCYDKNS-IHRRRGAJSA-N 2 2 297.399 -0.361 20 0 CBADLP CCOCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001481666985 916936027 /nfs/dbraw/zinc/93/60/27/916936027.db2.gz DUFQDAQHCYDKNS-IHRRRGAJSA-N 2 2 297.399 -0.361 20 0 CBADLP CC[C@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]CC(N)=O ZINC001481838565 917003818 /nfs/dbraw/zinc/00/38/18/917003818.db2.gz ZSUURFKCXSZLMY-SNVBAGLBSA-N 2 2 267.333 -0.757 20 0 CBADLP C[C@@](C[NH2+]CC(N)=O)(NC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001481948769 917026280 /nfs/dbraw/zinc/02/62/80/917026280.db2.gz RCQPBOIMMVDZGX-ZDUSSCGKSA-N 2 2 279.344 -0.688 20 0 CBADLP CC(C)NC(=O)C[NH2+]C[C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001482154230 917067760 /nfs/dbraw/zinc/06/77/60/917067760.db2.gz KKTYJTYEUGAXHR-LLVKDONJSA-N 2 2 295.387 -0.181 20 0 CBADLP CNC(=O)C[NH2+]C[C@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001482163869 917069196 /nfs/dbraw/zinc/06/91/96/917069196.db2.gz PPGHPOGONBLEEG-VIFPVBQESA-N 2 2 281.360 -0.651 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@H+](C[C@H](C)O)CCO1 ZINC001482205929 917088696 /nfs/dbraw/zinc/08/86/96/917088696.db2.gz QWAHZVQJLRHWQO-WCQYABFASA-N 2 2 296.371 -0.611 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@@H+](C[C@H](C)O)CCO1 ZINC001482205929 917088708 /nfs/dbraw/zinc/08/87/08/917088708.db2.gz QWAHZVQJLRHWQO-WCQYABFASA-N 2 2 296.371 -0.611 20 0 CBADLP CNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)CCc1c[nH+]cn1C ZINC001482360309 917134700 /nfs/dbraw/zinc/13/47/00/917134700.db2.gz BSYLHLFXUVLPRL-NSHDSACASA-N 2 2 295.387 -0.465 20 0 CBADLP CC[NH2+]C[C@H](O)CNC(=O)CCc1c[nH+]cn1C ZINC001482795955 917287594 /nfs/dbraw/zinc/28/75/94/917287594.db2.gz XHBHTVIMICCMAW-NSHDSACASA-N 2 2 254.334 -0.561 20 0 CBADLP CNC(=O)C[NH2+]CC[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001482859428 917313122 /nfs/dbraw/zinc/31/31/22/917313122.db2.gz KNTKPGKAXGNRAL-LLVKDONJSA-N 2 2 281.360 -0.496 20 0 CBADLP C[C@@H](CC[NH2+]CCO)NC(=O)Cc1c[nH+]cn1C ZINC001482888414 917326246 /nfs/dbraw/zinc/32/62/46/917326246.db2.gz KEJFZUWAFROAIA-JTQLQIEISA-N 2 2 254.334 -0.561 20 0 CBADLP C[C@@H](CC[NH2+]CCn1cncn1)NC(=O)Cn1cc[nH+]c1 ZINC001482904396 917328483 /nfs/dbraw/zinc/32/84/83/917328483.db2.gz GROVOELOISTPDD-LBPRGKRZSA-N 2 2 291.359 -0.341 20 0 CBADLP C[C@H](C[NH2+]CCO)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001483145354 917434077 /nfs/dbraw/zinc/43/40/77/917434077.db2.gz XFICHYYDTHCHDX-GHMZBOCLSA-N 2 2 266.345 -0.468 20 0 CBADLP C[C@H](C[NH2+][C@@H]1CCNC1=O)NC(=O)CCn1cc[nH+]c1 ZINC001483153524 917438094 /nfs/dbraw/zinc/43/80/94/917438094.db2.gz MPTKORUBEQECFL-GHMZBOCLSA-N 2 2 279.344 -0.744 20 0 CBADLP C[C@H](C[NH2+]CC(=O)N(C)C)NC(=O)Cc1c[nH+]cn1C ZINC001483183943 917456877 /nfs/dbraw/zinc/45/68/77/917456877.db2.gz HUGQDDZLYPEGKS-SNVBAGLBSA-N 2 2 281.360 -0.855 20 0 CBADLP C[C@@H](C[NH2+][C@@H](C)C(=O)N(C)C)NC(=O)CCn1cc[nH+]c1 ZINC001483253977 917494490 /nfs/dbraw/zinc/49/44/90/917494490.db2.gz XUXUGMHLEDCZQK-RYUDHWBXSA-N 2 2 295.387 -0.156 20 0 CBADLP CN(CCC[NH2+][C@H]1CCNC1=O)C(=O)Cc1[nH]cc[nH+]1 ZINC001483500609 917581108 /nfs/dbraw/zinc/58/11/08/917581108.db2.gz WANUCMHRSILDMP-JTQLQIEISA-N 2 2 279.344 -0.721 20 0 CBADLP C[C@@H]([NH2+]CCCN(C)C(=O)Cc1[nH]cc[nH+]1)C(N)=O ZINC001483500498 917583451 /nfs/dbraw/zinc/58/34/51/917583451.db2.gz SXANADACQDVTKS-SECBINFHSA-N 2 2 267.333 -0.736 20 0 CBADLP CN(C)C(=O)C[NH2+]C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001483590870 917601777 /nfs/dbraw/zinc/60/17/77/917601777.db2.gz WOHUNJVLBQWBSU-GFCCVEGCSA-N 2 2 293.371 -0.475 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NCC1([NH2+][C@@H]2CCNC2=O)CC1 ZINC001483779662 917681747 /nfs/dbraw/zinc/68/17/47/917681747.db2.gz TWMKPMBIPATROT-SECBINFHSA-N 2 2 277.328 -0.921 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H]2C[NH2+]CCF)C1 ZINC001483924179 917705819 /nfs/dbraw/zinc/70/58/19/917705819.db2.gz GPJPUPFWDDVKCE-RYUDHWBXSA-N 2 2 273.352 -0.133 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N2CCC[C@H]2C[NH2+]CCF)C1 ZINC001483924179 917705826 /nfs/dbraw/zinc/70/58/26/917705826.db2.gz GPJPUPFWDDVKCE-RYUDHWBXSA-N 2 2 273.352 -0.133 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]1C[NH2+]CCO ZINC001483953667 917711973 /nfs/dbraw/zinc/71/19/73/917711973.db2.gz LBTUJYREYUUDPU-LLVKDONJSA-N 2 2 266.345 -0.166 20 0 CBADLP CO[C@H](C)C[N@@H+]1CC[C@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001484255045 917795068 /nfs/dbraw/zinc/79/50/68/917795068.db2.gz VCMJWIDHCOGNQS-OCCSQVGLSA-N 2 2 296.371 -0.529 20 0 CBADLP CO[C@H](C)C[N@H+]1CC[C@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001484255045 917795082 /nfs/dbraw/zinc/79/50/82/917795082.db2.gz VCMJWIDHCOGNQS-OCCSQVGLSA-N 2 2 296.371 -0.529 20 0 CBADLP CC[NH+]1CC(O)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001484282606 917815666 /nfs/dbraw/zinc/81/56/66/917815666.db2.gz LKRZHJUYOWYVFH-UHFFFAOYSA-N 2 2 267.373 -0.202 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H](CC[NH2+]CCO)C1 ZINC001484538940 917886606 /nfs/dbraw/zinc/88/66/06/917886606.db2.gz IJGTXJQAHUUGNG-NSHDSACASA-N 2 2 266.345 -0.227 20 0 CBADLP CCC[N@H+](C)CC(=O)NC[C@@H]1COCC[NH+]1C[C@@H](C)O ZINC001484606482 917898025 /nfs/dbraw/zinc/89/80/25/917898025.db2.gz BTEMEWZYZMOVOB-CHWSQXEVSA-N 2 2 287.404 -0.474 20 0 CBADLP CCC[N@@H+](C)CC(=O)NC[C@@H]1COCC[NH+]1C[C@@H](C)O ZINC001484606482 917898036 /nfs/dbraw/zinc/89/80/36/917898036.db2.gz BTEMEWZYZMOVOB-CHWSQXEVSA-N 2 2 287.404 -0.474 20 0 CBADLP CCC[NH+](C)CC(=O)NC[C@@H]1COCC[N@@H+]1C[C@@H](C)O ZINC001484606482 917898043 /nfs/dbraw/zinc/89/80/43/917898043.db2.gz BTEMEWZYZMOVOB-CHWSQXEVSA-N 2 2 287.404 -0.474 20 0 CBADLP CCC[NH+](C)CC(=O)NC[C@@H]1COCC[N@H+]1C[C@@H](C)O ZINC001484606482 917898055 /nfs/dbraw/zinc/89/80/55/917898055.db2.gz BTEMEWZYZMOVOB-CHWSQXEVSA-N 2 2 287.404 -0.474 20 0 CBADLP CC(C)(C(=O)N1CCO[C@H](C[NH2+]CCO)C1)c1c[nH+]c[nH]1 ZINC001484697433 917927767 /nfs/dbraw/zinc/92/77/67/917927767.db2.gz VDGKTGNNTFJDPD-LLVKDONJSA-N 2 2 296.371 -0.503 20 0 CBADLP CC1([NH2+]CCO)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001484928354 917967827 /nfs/dbraw/zinc/96/78/27/917967827.db2.gz PJUWXBBCZJZIKL-UHFFFAOYSA-N 2 2 266.345 -0.154 20 0 CBADLP C[C@H](C(N)=O)[N@H+](C)C[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001485070726 917984336 /nfs/dbraw/zinc/98/43/36/917984336.db2.gz ZHEBEAWMNRJOCG-ZYHUDNBSSA-N 2 2 293.371 -0.251 20 0 CBADLP C[C@H](C(N)=O)[N@@H+](C)C[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001485070726 917984340 /nfs/dbraw/zinc/98/43/40/917984340.db2.gz ZHEBEAWMNRJOCG-ZYHUDNBSSA-N 2 2 293.371 -0.251 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC1CC(C[NH2+]CCO)C1 ZINC001485105476 917998553 /nfs/dbraw/zinc/99/85/53/917998553.db2.gz PAVIYKWSEGZONA-UHFFFAOYSA-N 2 2 252.318 -0.571 20 0 CBADLP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)[NH2+]CCn1cncn1 ZINC001485234801 918037189 /nfs/dbraw/zinc/03/71/89/918037189.db2.gz ODUNBBLFFIZZMY-NWDGAFQWSA-N 2 2 291.359 -0.342 20 0 CBADLP C[C@@H]([NH2+]CCn1cncn1)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001485234800 918037911 /nfs/dbraw/zinc/03/79/11/918037911.db2.gz ODUNBBLFFIZZMY-NEPJUHHUSA-N 2 2 291.359 -0.342 20 0 CBADLP CC[C@H](C(N)=O)[N@H+](C)[C@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001485378865 918099723 /nfs/dbraw/zinc/09/97/23/918099723.db2.gz ZUXIYNMESYZQRY-BXKDBHETSA-N 2 2 295.387 -0.039 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+](C)[C@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001485378865 918099742 /nfs/dbraw/zinc/09/97/42/918099742.db2.gz ZUXIYNMESYZQRY-BXKDBHETSA-N 2 2 295.387 -0.039 20 0 CBADLP CC[C@H](C(N)=O)[N@H+](C)[C@@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001485378870 918102164 /nfs/dbraw/zinc/10/21/64/918102164.db2.gz ZUXIYNMESYZQRY-JOYOIKCWSA-N 2 2 295.387 -0.039 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+](C)[C@@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001485378870 918102174 /nfs/dbraw/zinc/10/21/74/918102174.db2.gz ZUXIYNMESYZQRY-JOYOIKCWSA-N 2 2 295.387 -0.039 20 0 CBADLP CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001485523471 918134404 /nfs/dbraw/zinc/13/44/04/918134404.db2.gz SRMMCPGHJSIRLW-NSHDSACASA-N 2 2 284.404 -0.489 20 0 CBADLP C[C@H](NC(=O)C[NH+]1CCCC1)C1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001485537756 918139279 /nfs/dbraw/zinc/13/92/79/918139279.db2.gz SOHRTWKBQAJYKV-QWRGUYRKSA-N 2 2 282.388 -0.608 20 0 CBADLP CCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001485537768 918140548 /nfs/dbraw/zinc/14/05/48/918140548.db2.gz STPSJNNOASFEES-GFCCVEGCSA-N 2 2 296.415 -0.345 20 0 CBADLP CNC(=O)C[NH2+]CCC[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001485745157 918181093 /nfs/dbraw/zinc/18/10/93/918181093.db2.gz QULZHXUEGUJHMD-LLVKDONJSA-N 2 2 295.387 -0.417 20 0 CBADLP C[C@@H](CN(C)C(=O)CCn1cc[nH+]c1)[NH2+]CC(N)=O ZINC001485906031 918222378 /nfs/dbraw/zinc/22/23/78/918222378.db2.gz MVVJCUZYSUQZJK-JTQLQIEISA-N 2 2 267.333 -0.805 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001485937457 918233303 /nfs/dbraw/zinc/23/33/03/918233303.db2.gz FZIRBDYWLHRPLB-VHSXEESVSA-N 2 2 281.360 -0.477 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)C[C@H](C)[NH2+]CC(N)=O ZINC001485934042 918234937 /nfs/dbraw/zinc/23/49/37/918234937.db2.gz ZUZFYHLLKFTLEQ-ZJUUUORDSA-N 2 2 281.360 -0.490 20 0 CBADLP C[C@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+][C@@H](C)C(N)=O ZINC001485961823 918240400 /nfs/dbraw/zinc/24/04/00/918240400.db2.gz HAABBYLYPBJOQJ-ZJUUUORDSA-N 2 2 267.333 -0.807 20 0 CBADLP C[NH+](C)CCC(=O)NC[C@H](CO)[NH2+]Cc1ccon1 ZINC001486031819 918322333 /nfs/dbraw/zinc/32/23/33/918322333.db2.gz WQUKRZULHTWVPS-LLVKDONJSA-N 2 2 270.333 -0.807 20 0 CBADLP CC[C@@H](F)C[NH2+][C@@H](CO)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001486036836 918332841 /nfs/dbraw/zinc/33/28/41/918332841.db2.gz AQENWQIPSHYNOZ-MWLCHTKSSA-N 2 2 272.324 -0.233 20 0 CBADLP C[C@@H]1[C@H]([NH2+]CCCO)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001486089960 918364860 /nfs/dbraw/zinc/36/48/60/918364860.db2.gz DHCDFFZICMAEJZ-GHMZBOCLSA-N 2 2 266.345 -0.086 20 0 CBADLP CNC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC1(C)C ZINC001486245736 918389912 /nfs/dbraw/zinc/38/99/12/918389912.db2.gz WIDDRJFRFGOEMM-LLVKDONJSA-N 2 2 293.371 -0.475 20 0 CBADLP CC(C)[NH2+]C[C@@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001486300483 918417369 /nfs/dbraw/zinc/41/73/69/918417369.db2.gz CZCORWXFDRSXMN-LLVKDONJSA-N 2 2 254.334 -0.231 20 0 CBADLP CNC(=O)C[NH2+]C1CC(N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001486485071 918472639 /nfs/dbraw/zinc/47/26/39/918472639.db2.gz ZGXRQALCTWSZCE-UHFFFAOYSA-N 2 2 279.344 -0.792 20 0 CBADLP CC[N@H+](C)CCC(=O)N(C)C[C@H]1CC[NH+]1[C@H](C)C(N)=O ZINC001488676910 918747393 /nfs/dbraw/zinc/74/73/93/918747393.db2.gz LLVPMYRMRVSACK-VXGBXAGGSA-N 2 2 284.404 -0.265 20 0 CBADLP CC[N@@H+](C)CCC(=O)N(C)C[C@H]1CC[NH+]1[C@H](C)C(N)=O ZINC001488676910 918747400 /nfs/dbraw/zinc/74/74/00/918747400.db2.gz LLVPMYRMRVSACK-VXGBXAGGSA-N 2 2 284.404 -0.265 20 0 CBADLP CC[NH+](C)CCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@H](C)C(N)=O ZINC001488676910 918747415 /nfs/dbraw/zinc/74/74/15/918747415.db2.gz LLVPMYRMRVSACK-VXGBXAGGSA-N 2 2 284.404 -0.265 20 0 CBADLP CC[NH+](C)CCC(=O)N(C)C[C@H]1CC[N@H+]1[C@H](C)C(N)=O ZINC001488676910 918747432 /nfs/dbraw/zinc/74/74/32/918747432.db2.gz LLVPMYRMRVSACK-VXGBXAGGSA-N 2 2 284.404 -0.265 20 0 CBADLP Cn1cnnc1C[N@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001490279787 918882316 /nfs/dbraw/zinc/88/23/16/918882316.db2.gz PBHJQDSYKKTYKF-GFCCVEGCSA-N 2 2 294.403 -0.295 20 0 CBADLP Cn1cnnc1C[N@@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001490279787 918882320 /nfs/dbraw/zinc/88/23/20/918882320.db2.gz PBHJQDSYKKTYKF-GFCCVEGCSA-N 2 2 294.403 -0.295 20 0 CBADLP Cn1cnnc1C[NH+](C)CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001490279787 918882329 /nfs/dbraw/zinc/88/23/29/918882329.db2.gz PBHJQDSYKKTYKF-GFCCVEGCSA-N 2 2 294.403 -0.295 20 0 CBADLP Cn1cnnc1C[NH+](C)CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001490279787 918882339 /nfs/dbraw/zinc/88/23/39/918882339.db2.gz PBHJQDSYKKTYKF-GFCCVEGCSA-N 2 2 294.403 -0.295 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+]1CCN(CCO)CC1 ZINC001490467083 918910298 /nfs/dbraw/zinc/91/02/98/918910298.db2.gz VVLYIJLAZIKLED-AWEZNQCLSA-N 2 2 298.431 -0.803 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)NCCC[NH+]1CCN(CCO)CC1 ZINC001490467083 918910306 /nfs/dbraw/zinc/91/03/06/918910306.db2.gz VVLYIJLAZIKLED-AWEZNQCLSA-N 2 2 298.431 -0.803 20 0 CBADLP CNC(=O)C[NH2+][C@@H](CNC(=O)CCc1c[nH]c[nH+]1)C1CC1 ZINC001490667555 918956468 /nfs/dbraw/zinc/95/64/68/918956468.db2.gz HRGSUWJZQRMKNB-LBPRGKRZSA-N 2 2 293.371 -0.427 20 0 CBADLP CNC(=O)C[NH2+][C@@H](CNC(=O)CCc1c[nH+]c[nH]1)C1CC1 ZINC001490667555 918956483 /nfs/dbraw/zinc/95/64/83/918956483.db2.gz HRGSUWJZQRMKNB-LBPRGKRZSA-N 2 2 293.371 -0.427 20 0 CBADLP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)C1)C(N)=O ZINC001491075674 919026952 /nfs/dbraw/zinc/02/69/52/919026952.db2.gz JSEPZHDQPIBPFP-GARJFASQSA-N 2 2 293.371 -0.537 20 0 CBADLP C[C@H](CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)[NH2+]CC(=O)N(C)C ZINC001491605521 919222262 /nfs/dbraw/zinc/22/22/62/919222262.db2.gz MTRFNSHKRWZQJR-GHMZBOCLSA-N 2 2 295.387 -0.229 20 0 CBADLP C[C@H](CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1)[NH2+]CC(=O)N(C)C ZINC001491605521 919222276 /nfs/dbraw/zinc/22/22/76/919222276.db2.gz MTRFNSHKRWZQJR-GHMZBOCLSA-N 2 2 295.387 -0.229 20 0 CBADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CCNC(=O)C1CC1 ZINC001491622575 919236520 /nfs/dbraw/zinc/23/65/20/919236520.db2.gz AWACMGPLKFHZQS-JTQLQIEISA-N 2 2 293.371 -0.427 20 0 CBADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]CC(=O)N1CCC1 ZINC001491635775 919240751 /nfs/dbraw/zinc/24/07/51/919240751.db2.gz BJFAPMKWUGLUHR-LLVKDONJSA-N 2 2 293.371 -0.711 20 0 CBADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1cnn(C)c1 ZINC001491692922 919254707 /nfs/dbraw/zinc/25/47/07/919254707.db2.gz BJCQSHHELXIGGE-LLVKDONJSA-N 2 2 276.344 -0.089 20 0 CBADLP C[C@H](O)C[NH2+]C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001491844529 919289032 /nfs/dbraw/zinc/28/90/32/919289032.db2.gz SJELPZOCLQPNMV-QWRGUYRKSA-N 2 2 266.345 -0.229 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001492389416 919407242 /nfs/dbraw/zinc/40/72/42/919407242.db2.gz PLGRMSCJXVEHMS-UHFFFAOYSA-N 2 2 298.431 -0.099 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001492389416 919407247 /nfs/dbraw/zinc/40/72/47/919407247.db2.gz PLGRMSCJXVEHMS-UHFFFAOYSA-N 2 2 298.431 -0.099 20 0 CBADLP C[C@H](O)C[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001492419593 919416993 /nfs/dbraw/zinc/41/69/93/919416993.db2.gz GWIOKJANDDGVBX-QJPTWQEYSA-N 2 2 280.372 -0.048 20 0 CBADLP C[C@H](O)C[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001492419593 919417000 /nfs/dbraw/zinc/41/70/00/919417000.db2.gz GWIOKJANDDGVBX-QJPTWQEYSA-N 2 2 280.372 -0.048 20 0 CBADLP C[N@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)CC(=O)NC1CC1 ZINC001492817611 919430850 /nfs/dbraw/zinc/43/08/50/919430850.db2.gz UOSRWDJKHHVIOD-LBPRGKRZSA-N 2 2 296.415 -0.345 20 0 CBADLP C[N@@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)CC(=O)NC1CC1 ZINC001492817611 919430852 /nfs/dbraw/zinc/43/08/52/919430852.db2.gz UOSRWDJKHHVIOD-LBPRGKRZSA-N 2 2 296.415 -0.345 20 0 CBADLP C[NH+](CCNC(=O)C[C@@H]1CC[N@H+](C)C1)CC(=O)NC1CC1 ZINC001492817611 919430857 /nfs/dbraw/zinc/43/08/57/919430857.db2.gz UOSRWDJKHHVIOD-LBPRGKRZSA-N 2 2 296.415 -0.345 20 0 CBADLP C[NH+](CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)CC(=O)NC1CC1 ZINC001492817611 919430863 /nfs/dbraw/zinc/43/08/63/919430863.db2.gz UOSRWDJKHHVIOD-LBPRGKRZSA-N 2 2 296.415 -0.345 20 0 CBADLP CC[C@H](C(N)=O)[N@H+](C)CCNC(=O)CCc1c[nH+]cn1C ZINC001492835689 919436118 /nfs/dbraw/zinc/43/61/18/919436118.db2.gz PQERYUBWVIONEE-GFCCVEGCSA-N 2 2 295.387 -0.335 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+](C)CCNC(=O)CCc1c[nH+]cn1C ZINC001492835689 919436124 /nfs/dbraw/zinc/43/61/24/919436124.db2.gz PQERYUBWVIONEE-GFCCVEGCSA-N 2 2 295.387 -0.335 20 0 CBADLP COC[C@H](O)C[N@@H+]1CC[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001493247881 919507011 /nfs/dbraw/zinc/50/70/11/919507011.db2.gz DLHTVGRHKUUBGO-NWDGAFQWSA-N 2 2 296.371 -0.602 20 0 CBADLP COC[C@H](O)C[N@H+]1CC[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001493247881 919507016 /nfs/dbraw/zinc/50/70/16/919507016.db2.gz DLHTVGRHKUUBGO-NWDGAFQWSA-N 2 2 296.371 -0.602 20 0 CBADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CC[NH2+][C@H]1CCNC1=O ZINC001493727417 919612628 /nfs/dbraw/zinc/61/26/28/919612628.db2.gz XVCFUEVMHSGVOI-JQWIXIFHSA-N 2 2 293.371 -0.475 20 0 CBADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CC[NH2+][C@H]1CCNC1=O ZINC001493727417 919612634 /nfs/dbraw/zinc/61/26/34/919612634.db2.gz XVCFUEVMHSGVOI-JQWIXIFHSA-N 2 2 293.371 -0.475 20 0 CBADLP C[N@@H+](CC(N)=O)C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001494168005 919666639 /nfs/dbraw/zinc/66/66/39/919666639.db2.gz WTZQBTTYNSCDGR-SNVBAGLBSA-N 2 2 279.344 -0.782 20 0 CBADLP C[N@H+](CC(N)=O)C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001494168005 919666644 /nfs/dbraw/zinc/66/66/44/919666644.db2.gz WTZQBTTYNSCDGR-SNVBAGLBSA-N 2 2 279.344 -0.782 20 0 CBADLP COCCOCC[NH+]1CC(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001494498180 919714812 /nfs/dbraw/zinc/71/48/12/919714812.db2.gz FBAWBLMWSCSDPM-GFCCVEGCSA-N 2 2 285.388 -0.599 20 0 CBADLP COCCOCC[NH+]1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001494498180 919714828 /nfs/dbraw/zinc/71/48/28/919714828.db2.gz FBAWBLMWSCSDPM-GFCCVEGCSA-N 2 2 285.388 -0.599 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NCC1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001494572894 919738298 /nfs/dbraw/zinc/73/82/98/919738298.db2.gz MXTFLEXXKGOPKP-GFCCVEGCSA-N 2 2 291.355 -0.872 20 0 CBADLP COCC[NH+]1CC(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001494599645 919746141 /nfs/dbraw/zinc/74/61/41/919746141.db2.gz IEXRYPWPJVVMNC-UHFFFAOYSA-N 2 2 252.318 -0.353 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)NCC1C[NH+](CCO)C1 ZINC001494617909 919754741 /nfs/dbraw/zinc/75/47/41/919754741.db2.gz FLKVJGTWNCKFSI-UHFFFAOYSA-N 2 2 266.345 -0.607 20 0 CBADLP CC[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+]CCO ZINC001494995394 919835419 /nfs/dbraw/zinc/83/54/19/919835419.db2.gz SMLNQVZJUKNIEK-JTQLQIEISA-N 2 2 254.334 -0.181 20 0 CBADLP CC[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH2+]CCO ZINC001494995394 919835441 /nfs/dbraw/zinc/83/54/41/919835441.db2.gz SMLNQVZJUKNIEK-JTQLQIEISA-N 2 2 254.334 -0.181 20 0 CBADLP CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001495081256 919855494 /nfs/dbraw/zinc/85/54/94/919855494.db2.gz ZRQAXSBFCBITQK-JTQLQIEISA-N 2 2 281.360 -0.427 20 0 CBADLP C[C@H](O)C[NH2+]CC1(NC(=O)[C@H]2C[N@H+](C)CCO2)CCCC1 ZINC001495140945 919871711 /nfs/dbraw/zinc/87/17/11/919871711.db2.gz VJLYGCPGBAOTBC-QWHCGFSZSA-N 2 2 299.415 -0.284 20 0 CBADLP C[C@H](O)C[NH2+]CC1(NC(=O)[C@H]2C[N@@H+](C)CCO2)CCCC1 ZINC001495140945 919871723 /nfs/dbraw/zinc/87/17/23/919871723.db2.gz VJLYGCPGBAOTBC-QWHCGFSZSA-N 2 2 299.415 -0.284 20 0 CBADLP COCC[N@@H+]1CCO[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001495869243 919970680 /nfs/dbraw/zinc/97/06/80/919970680.db2.gz HXMNXXDVOIPGCA-GFCCVEGCSA-N 2 2 273.377 -0.599 20 0 CBADLP COCC[N@H+]1CCO[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001495869243 919970692 /nfs/dbraw/zinc/97/06/92/919970692.db2.gz HXMNXXDVOIPGCA-GFCCVEGCSA-N 2 2 273.377 -0.599 20 0 CBADLP C[C@@H](C[NH2+]CCO)N(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001496091463 920025409 /nfs/dbraw/zinc/02/54/09/920025409.db2.gz CCDKKHJGZMCSBT-RYUDHWBXSA-N 2 2 280.372 -0.126 20 0 CBADLP CNC(=O)C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001496375196 920061342 /nfs/dbraw/zinc/06/13/42/920061342.db2.gz KZKMSEUOSMTJLL-NEPJUHHUSA-N 2 2 293.371 -0.544 20 0 CBADLP C[C@H]([NH2+]CC(N)=O)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001496458328 920072803 /nfs/dbraw/zinc/07/28/03/920072803.db2.gz CTSCFDPMQRKVEO-NWDGAFQWSA-N 2 2 293.371 -0.415 20 0 CBADLP C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)[C@@H]1C[NH2+]CC(N)=O ZINC001496492705 920075941 /nfs/dbraw/zinc/07/59/41/920075941.db2.gz XUVUKMQDJHKTHG-NWDGAFQWSA-N 2 2 293.371 -0.415 20 0 CBADLP Cc1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CCC[N@H+]2C)no1 ZINC001496955022 920173648 /nfs/dbraw/zinc/17/36/48/920173648.db2.gz LPMIWGLWONBVKM-OLZOCXBDSA-N 2 2 296.371 -0.356 20 0 CBADLP Cc1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CCC[N@@H+]2C)no1 ZINC001496955022 920173654 /nfs/dbraw/zinc/17/36/54/920173654.db2.gz LPMIWGLWONBVKM-OLZOCXBDSA-N 2 2 296.371 -0.356 20 0 CBADLP Cc1cc(C[NH2+]C[C@@H](O)CNC(=O)Cn2cc[nH+]c2)on1 ZINC001497126745 920255730 /nfs/dbraw/zinc/25/57/30/920255730.db2.gz PFDZBSJPAWDACC-LLVKDONJSA-N 2 2 293.327 -0.554 20 0 CBADLP CC[C@@H](F)C[NH2+]C[C@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001497124871 920257099 /nfs/dbraw/zinc/25/70/99/920257099.db2.gz CEDYHCBEZNLYRJ-MNOVXSKESA-N 2 2 272.324 -0.302 20 0 CBADLP CC[C@@H](F)C[NH2+]C[C@@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001497124870 920258663 /nfs/dbraw/zinc/25/86/63/920258663.db2.gz CEDYHCBEZNLYRJ-GHMZBOCLSA-N 2 2 272.324 -0.302 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@@H](O)C[NH2+]C/C=C\Cl ZINC001497127422 920258715 /nfs/dbraw/zinc/25/87/15/920258715.db2.gz UBGWEONGMBOIAB-SYBPUXJVSA-N 2 2 272.736 -0.298 20 0 CBADLP C[C@@H](O)C[NH2+]CC[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001497300277 920282373 /nfs/dbraw/zinc/28/23/73/920282373.db2.gz XNKVVQUAHPMASJ-VHSXEESVSA-N 2 2 254.334 -0.183 20 0 CBADLP C[C@@H]([NH2+]CC[C@H](C)NC(=O)Cn1cc[nH+]c1)C(N)=O ZINC001497336876 920285159 /nfs/dbraw/zinc/28/51/59/920285159.db2.gz KZZBSTMWPLZJRK-VHSXEESVSA-N 2 2 267.333 -0.759 20 0 CBADLP Cn1ncc(C[NH2+]C/C=C\CNC(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC001497549664 920337397 /nfs/dbraw/zinc/33/73/97/920337397.db2.gz SWQFDYDHADIVGY-SCOBNMCVSA-N 2 2 292.387 -0.329 20 0 CBADLP Cn1ncc(C[NH2+]C/C=C\CNC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001497549664 920337414 /nfs/dbraw/zinc/33/74/14/920337414.db2.gz SWQFDYDHADIVGY-SCOBNMCVSA-N 2 2 292.387 -0.329 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]C/C=C/CNC(=O)CCc1c[nH]c[nH+]1 ZINC001497594710 920348733 /nfs/dbraw/zinc/34/87/33/920348733.db2.gz DGKYGLGFWGAGNH-UFFNRZRYSA-N 2 2 293.371 -0.261 20 0 CBADLP CC[C@H]([NH2+]C/C=C/CNC(=O)Cc1[nH]cc[nH+]1)C(N)=O ZINC001497716369 920376805 /nfs/dbraw/zinc/37/68/05/920376805.db2.gz XWZWCFOEZIVUIY-FSIBCCDJSA-N 2 2 279.344 -0.522 20 0 CBADLP CC[C@@H]([NH2+]C[C@@H](C)NC(=O)CCn1cc[nH+]c1)C(N)=O ZINC001497874033 920414748 /nfs/dbraw/zinc/41/47/48/920414748.db2.gz MSPRLNMCCZFMQG-GHMZBOCLSA-N 2 2 281.360 -0.369 20 0 CBADLP C[C@H](C[NH2+][C@H]1CCN(C)C1=O)NC(=O)Cc1c[nH+]cn1C ZINC001497962720 920429122 /nfs/dbraw/zinc/42/91/22/920429122.db2.gz LEBKTAPNJHGRAT-PWSUYJOCSA-N 2 2 293.371 -0.712 20 0 CBADLP CC[C@@H]([NH2+]C[C@H](C)NC(=O)Cn1cc[nH+]c1)C(N)=O ZINC001498208092 920521814 /nfs/dbraw/zinc/52/18/14/920521814.db2.gz RKRYZTDFVLJSRL-VHSXEESVSA-N 2 2 267.333 -0.759 20 0 CBADLP C[C@H](C[N@H+](C)CCO)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001498323287 920554166 /nfs/dbraw/zinc/55/41/66/920554166.db2.gz MPNDRVHSBMUGJK-VXGBXAGGSA-N 2 2 280.372 -0.126 20 0 CBADLP C[C@H](C[N@@H+](C)CCO)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001498323287 920554179 /nfs/dbraw/zinc/55/41/79/920554179.db2.gz MPNDRVHSBMUGJK-VXGBXAGGSA-N 2 2 280.372 -0.126 20 0 CBADLP C[C@@H](O)C[NH2+]CCCN(C)C(=O)Cc1c[nH+]cn1C ZINC001498636325 920619580 /nfs/dbraw/zinc/61/95/80/920619580.db2.gz AJBVJWQTAOSDFT-LLVKDONJSA-N 2 2 268.361 -0.219 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)N[C@@H](C[NH2+]CC(N)=O)C1CC1 ZINC001498867578 920649503 /nfs/dbraw/zinc/64/95/03/920649503.db2.gz ZXLLYZZHPWTUKN-LBPRGKRZSA-N 2 2 293.371 -0.678 20 0 CBADLP CN(C)C(=O)C[NH2+]C[C@@H](NC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001498877437 920652231 /nfs/dbraw/zinc/65/22/31/920652231.db2.gz VTHWCYAHYJPGHR-GFCCVEGCSA-N 2 2 293.371 -0.544 20 0 CBADLP CC(C)C[NH+]1CC(O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001500899520 920912206 /nfs/dbraw/zinc/91/22/06/920912206.db2.gz GKGRPZGHJZWXTP-GFCCVEGCSA-N 2 2 269.389 -0.101 20 0 CBADLP CC(C)C[NH+]1CC(O)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001500899520 920912211 /nfs/dbraw/zinc/91/22/11/920912211.db2.gz GKGRPZGHJZWXTP-GFCCVEGCSA-N 2 2 269.389 -0.101 20 0 CBADLP CCC[NH+]1CC(O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001500978089 920932560 /nfs/dbraw/zinc/93/25/60/920932560.db2.gz GFWBMNSHEFVBDU-UHFFFAOYSA-N 2 2 255.362 -0.345 20 0 CBADLP O=C(Cn1cc[nH+]c1)NCC1(O)C[NH+](CCC2CC2)C1 ZINC001500991630 920936455 /nfs/dbraw/zinc/93/64/55/920936455.db2.gz PJXXLBUIHAGSTQ-UHFFFAOYSA-N 2 2 278.356 -0.154 20 0 CBADLP CN(CCN(C)C(=O)Cc1[nH]cc[nH+]1)C(=O)CC[NH+](C)C ZINC001501242443 920958499 /nfs/dbraw/zinc/95/84/99/920958499.db2.gz JQPHXRALOOAUDP-UHFFFAOYSA-N 2 2 295.387 -0.179 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H](CC[NH2+]CCO)C1 ZINC001501637259 921049790 /nfs/dbraw/zinc/04/97/90/921049790.db2.gz FTMKVPWNMUJVTF-LBPRGKRZSA-N 2 2 280.372 -0.217 20 0 CBADLP C[C@H]1[C@@H](NC(=O)C[NH+](C)C2CCC2)CCC[N@@H+]1CC(N)=O ZINC001507376422 921815319 /nfs/dbraw/zinc/81/53/19/921815319.db2.gz PZOGIUNNYTWWBB-AAEUAGOBSA-N 2 2 296.415 -0.075 20 0 CBADLP C[C@H]1[C@@H](NC(=O)C[NH+](C)C2CCC2)CCC[N@H+]1CC(N)=O ZINC001507376422 921815337 /nfs/dbraw/zinc/81/53/37/921815337.db2.gz PZOGIUNNYTWWBB-AAEUAGOBSA-N 2 2 296.415 -0.075 20 0 CBADLP C[C@H]1[C@@H](NC(=O)C[N@H+](C)C2CCC2)CCC[NH+]1CC(N)=O ZINC001507376422 921815353 /nfs/dbraw/zinc/81/53/53/921815353.db2.gz PZOGIUNNYTWWBB-AAEUAGOBSA-N 2 2 296.415 -0.075 20 0 CBADLP C[C@H]1[C@@H](NC(=O)C[N@@H+](C)C2CCC2)CCC[NH+]1CC(N)=O ZINC001507376422 921815367 /nfs/dbraw/zinc/81/53/67/921815367.db2.gz PZOGIUNNYTWWBB-AAEUAGOBSA-N 2 2 296.415 -0.075 20 0 CBADLP CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001507488880 921850805 /nfs/dbraw/zinc/85/08/05/921850805.db2.gz NPZPDUOEWCVQTC-DGCLKSJQSA-N 2 2 280.372 -0.126 20 0 CBADLP C[C@H](O)C[NH2+]C[C@H](O)CN(C)C(=O)CCc1c[nH+]cn1C ZINC001507553526 921864221 /nfs/dbraw/zinc/86/42/21/921864221.db2.gz VXBNGFGNHOPVCV-AAEUAGOBSA-N 2 2 298.387 -0.858 20 0 CBADLP CNC(=O)C[N@H+](C)CCN(C(=O)CC[NH+](C)C)C(C)C ZINC001507831232 921900214 /nfs/dbraw/zinc/90/02/14/921900214.db2.gz GIYDLHNUMQVEDM-UHFFFAOYSA-N 2 2 286.420 -0.147 20 0 CBADLP CNC(=O)C[N@@H+](C)CCN(C(=O)CC[NH+](C)C)C(C)C ZINC001507831232 921900230 /nfs/dbraw/zinc/90/02/30/921900230.db2.gz GIYDLHNUMQVEDM-UHFFFAOYSA-N 2 2 286.420 -0.147 20 0 CBADLP COC[C@H]1C[NH2+]CCN1C(=O)CCn1cc[nH+]c1 ZINC001514596522 922208183 /nfs/dbraw/zinc/20/81/83/922208183.db2.gz OVABAUUZEZJNRT-LLVKDONJSA-N 2 2 252.318 -0.280 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)CC2CC([NH3+])C2)CCO1 ZINC001521464256 922355859 /nfs/dbraw/zinc/35/58/59/922355859.db2.gz RLBWCALQCUPXPG-VOMCLLRMSA-N 2 2 255.362 -0.049 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)CC2CC([NH3+])C2)CCO1 ZINC001521464256 922355871 /nfs/dbraw/zinc/35/58/71/922355871.db2.gz RLBWCALQCUPXPG-VOMCLLRMSA-N 2 2 255.362 -0.049 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CCO1 ZINC001521465216 922358354 /nfs/dbraw/zinc/35/83/54/922358354.db2.gz ZULGOAHIUMBOKD-WUHRBBMRSA-N 2 2 267.373 -0.036 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CCO1 ZINC001521465216 922358366 /nfs/dbraw/zinc/35/83/66/922358366.db2.gz ZULGOAHIUMBOKD-WUHRBBMRSA-N 2 2 267.373 -0.036 20 0 CBADLP C[NH2+]C[C@H](O)CN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001522262786 922403636 /nfs/dbraw/zinc/40/36/36/922403636.db2.gz BNDVHRLKRMDJGL-KOLCDFICSA-N 2 2 254.334 -0.373 20 0 CBADLP C[NH2+]C[C@H](O)CN(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001522262786 922403648 /nfs/dbraw/zinc/40/36/48/922403648.db2.gz BNDVHRLKRMDJGL-KOLCDFICSA-N 2 2 254.334 -0.373 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001522654072 922497251 /nfs/dbraw/zinc/49/72/51/922497251.db2.gz MQJZUMYBIDKGSP-LLVKDONJSA-N 2 2 293.371 -0.555 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001522654072 922497267 /nfs/dbraw/zinc/49/72/67/922497267.db2.gz MQJZUMYBIDKGSP-LLVKDONJSA-N 2 2 293.371 -0.555 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001522699261 922505339 /nfs/dbraw/zinc/50/53/39/922505339.db2.gz SELRCXAKQSOLBA-UHFFFAOYSA-N 2 2 281.360 -0.475 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001522699261 922505353 /nfs/dbraw/zinc/50/53/53/922505353.db2.gz SELRCXAKQSOLBA-UHFFFAOYSA-N 2 2 281.360 -0.475 20 0 CBADLP CC[C@@H](C(=O)NCCCNC(=O)Cc1c[nH]c[nH+]1)[NH+](C)C ZINC001522995164 922556605 /nfs/dbraw/zinc/55/66/05/922556605.db2.gz OFAVALZSTNEQOQ-LBPRGKRZSA-N 2 2 295.387 -0.085 20 0 CBADLP CN1CCN(C(=O)c2csc(C[NH3+])n2)CC[N@H+](C)CC1 ZINC001523482423 922595717 /nfs/dbraw/zinc/59/57/17/922595717.db2.gz PLNLHWPXYGFURU-UHFFFAOYSA-N 2 2 297.428 -0.079 20 0 CBADLP CN1CCN(C(=O)c2csc(C[NH3+])n2)CC[N@@H+](C)CC1 ZINC001523482423 922595725 /nfs/dbraw/zinc/59/57/25/922595725.db2.gz PLNLHWPXYGFURU-UHFFFAOYSA-N 2 2 297.428 -0.079 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NCCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001528268982 922816103 /nfs/dbraw/zinc/81/61/03/922816103.db2.gz PGGRCVFOIYKACY-UHFFFAOYSA-N 2 2 295.387 -0.133 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NCCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001528268982 922816124 /nfs/dbraw/zinc/81/61/24/922816124.db2.gz PGGRCVFOIYKACY-UHFFFAOYSA-N 2 2 295.387 -0.133 20 0 CBADLP CC(=O)N1CC[NH+](CCN(C)C(=O)CCC[NH+](C)C)CC1 ZINC001530111702 922906835 /nfs/dbraw/zinc/90/68/35/922906835.db2.gz WMRCONCJQMHPBM-UHFFFAOYSA-N 2 2 298.431 -0.049 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC001548554198 923376702 /nfs/dbraw/zinc/37/67/02/923376702.db2.gz SBVPJTJCJKHDRH-OCCSQVGLSA-N 2 2 285.388 -0.672 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC001548554198 923376709 /nfs/dbraw/zinc/37/67/09/923376709.db2.gz SBVPJTJCJKHDRH-OCCSQVGLSA-N 2 2 285.388 -0.672 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]2C[NH2+]CCN2C)[C@@H](C)CO1 ZINC001548567804 923392070 /nfs/dbraw/zinc/39/20/70/923392070.db2.gz ARGDVETZTNNGOT-YNEHKIRRSA-N 2 2 284.404 -0.885 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2C[NH2+]CCN2C)[C@@H](C)CO1 ZINC001548567804 923392085 /nfs/dbraw/zinc/39/20/85/923392085.db2.gz ARGDVETZTNNGOT-YNEHKIRRSA-N 2 2 284.404 -0.885 20 0 CBADLP O=C(N[C@H]1C[NH2+]C[C@H]1O)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC001548572853 923397363 /nfs/dbraw/zinc/39/73/63/923397363.db2.gz QMUVYOPMGLJLIH-MELADBBJSA-N 2 2 290.367 -0.505 20 0 CBADLP O=C(N[C@H]1C[NH2+]C[C@H]1O)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC001548572853 923397373 /nfs/dbraw/zinc/39/73/73/923397373.db2.gz QMUVYOPMGLJLIH-MELADBBJSA-N 2 2 290.367 -0.505 20 0 CBADLP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CC[NH+](C)CC1(C)C ZINC001548679683 923443805 /nfs/dbraw/zinc/44/38/05/923443805.db2.gz RGPSEXPCSOVYQV-STQMWFEESA-N 2 2 280.416 -0.073 20 0 CBADLP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CC[NH+](C)CC1(C)C ZINC001548679683 923443813 /nfs/dbraw/zinc/44/38/13/923443813.db2.gz RGPSEXPCSOVYQV-STQMWFEESA-N 2 2 280.416 -0.073 20 0 CBADLP C[C@H]1CN2CC[NH+]1C[C@H]2C(=O)N1CC[N@H+](C)CC1(C)C ZINC001548679683 923443820 /nfs/dbraw/zinc/44/38/20/923443820.db2.gz RGPSEXPCSOVYQV-STQMWFEESA-N 2 2 280.416 -0.073 20 0 CBADLP C[C@H]1CN2CC[NH+]1C[C@H]2C(=O)N1CC[N@@H+](C)CC1(C)C ZINC001548679683 923443830 /nfs/dbraw/zinc/44/38/30/923443830.db2.gz RGPSEXPCSOVYQV-STQMWFEESA-N 2 2 280.416 -0.073 20 0 CBADLP C[C@@H]1[C@H](C)N(C(=O)[C@H]2C[N@H+]3CCN2C[C@@H]3C)CC[NH+]1C ZINC001548680132 923444811 /nfs/dbraw/zinc/44/48/11/923444811.db2.gz NFHSKVVAQIPSIA-RFQIPJPRSA-N 2 2 280.416 -0.074 20 0 CBADLP C[C@@H]1[C@H](C)N(C(=O)[C@H]2C[N@@H+]3CCN2C[C@@H]3C)CC[NH+]1C ZINC001548680132 923444823 /nfs/dbraw/zinc/44/48/23/923444823.db2.gz NFHSKVVAQIPSIA-RFQIPJPRSA-N 2 2 280.416 -0.074 20 0 CBADLP C[C@@H]1[C@H](C)N(C(=O)[C@H]2C[NH+]3CCN2C[C@@H]3C)CC[N@@H+]1C ZINC001548680132 923444832 /nfs/dbraw/zinc/44/48/32/923444832.db2.gz NFHSKVVAQIPSIA-RFQIPJPRSA-N 2 2 280.416 -0.074 20 0 CBADLP C[C@@H]1[C@H](C)N(C(=O)[C@H]2C[NH+]3CCN2C[C@@H]3C)CC[N@H+]1C ZINC001548680132 923444841 /nfs/dbraw/zinc/44/48/41/923444841.db2.gz NFHSKVVAQIPSIA-RFQIPJPRSA-N 2 2 280.416 -0.074 20 0 CBADLP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC001548713621 923469114 /nfs/dbraw/zinc/46/91/14/923469114.db2.gz JICWQXADSPXZCD-MDZLAQPJSA-N 2 2 275.356 -0.688 20 0 CBADLP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC001548713621 923469126 /nfs/dbraw/zinc/46/91/26/923469126.db2.gz JICWQXADSPXZCD-MDZLAQPJSA-N 2 2 275.356 -0.688 20 0 CBADLP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001548715100 923472541 /nfs/dbraw/zinc/47/25/41/923472541.db2.gz JPVIIYOERUYCCM-SFTQSGBHSA-N 2 2 289.383 -0.220 20 0 CBADLP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001548715100 923472548 /nfs/dbraw/zinc/47/25/48/923472548.db2.gz JPVIIYOERUYCCM-SFTQSGBHSA-N 2 2 289.383 -0.220 20 0 CBADLP C[NH+](C)C[C@@]1(O)CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001548745360 923491627 /nfs/dbraw/zinc/49/16/27/923491627.db2.gz PCQUSVXOBGLEBI-DOMZBBRYSA-N 2 2 292.383 -0.030 20 0 CBADLP O=C(NC[C@@H]1C[NH2+]CCCO1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001549539456 923601173 /nfs/dbraw/zinc/60/11/73/923601173.db2.gz CKKANOMRWLPHHD-NEPJUHHUSA-N 2 2 278.356 -0.060 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]([NH3+])[C@@H](c2cnn(C)c2)C1 ZINC001550068299 923666163 /nfs/dbraw/zinc/66/61/63/923666163.db2.gz YZQXNVAUEIGSMC-NEPJUHHUSA-N 2 2 288.355 -0.053 20 0 CBADLP [NH3+][C@@H]1C[C@@H]1c1ccc(NC(=O)CN2CC[NH2+]CC2=O)cc1 ZINC001550091266 923676069 /nfs/dbraw/zinc/67/60/69/923676069.db2.gz CGIGFEFKEHMQAT-CHWSQXEVSA-N 2 2 288.351 -0.129 20 0 CBADLP CC[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@@]12COCCN1C(=O)COC2 ZINC001550474934 923730601 /nfs/dbraw/zinc/73/06/01/923730601.db2.gz WFEUCWJDPDPDDR-GUTXKFCHSA-N 2 2 297.399 -0.266 20 0 CBADLP C[N@@H+]1CCO[C@@H]2CCN(C(=O)NC3CC4(C[C@H]4[NH3+])C3)C[C@@H]21 ZINC001551572722 923805118 /nfs/dbraw/zinc/80/51/18/923805118.db2.gz CBLIKQWRROQPMA-FTBOAFTOSA-N 2 2 294.399 -0.019 20 0 CBADLP C[N@H+]1CCO[C@@H]2CCN(C(=O)NC3CC4(C[C@H]4[NH3+])C3)C[C@@H]21 ZINC001551572722 923805125 /nfs/dbraw/zinc/80/51/25/923805125.db2.gz CBLIKQWRROQPMA-FTBOAFTOSA-N 2 2 294.399 -0.019 20 0 CBADLP O=C(N[C@H]1C[NH2+]CC(F)(F)C1)[C@H]1C[NH2+]CCOC1 ZINC001552164275 923845751 /nfs/dbraw/zinc/84/57/51/923845751.db2.gz RDYZOSLZNHBYAI-DTWKUNHWSA-N 2 2 263.288 -0.664 20 0 CBADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552204539 923865694 /nfs/dbraw/zinc/86/56/94/923865694.db2.gz RZPCSZAZGJMBSY-HOSYDEDBSA-N 2 2 289.326 -0.417 20 0 CBADLP C[N@@H+]1CCN(Cc2cnn3c2C[NH2+]CC3)[C@H](C[NH3+])C1 ZINC001552686944 923918264 /nfs/dbraw/zinc/91/82/64/923918264.db2.gz JPFMLKJSLSWISK-GFCCVEGCSA-N 3 2 264.377 -0.939 20 0 CBADLP C[N@H+]1CCN(Cc2cnn3c2C[NH2+]CC3)[C@H](C[NH3+])C1 ZINC001552686944 923918276 /nfs/dbraw/zinc/91/82/76/923918276.db2.gz JPFMLKJSLSWISK-GFCCVEGCSA-N 3 2 264.377 -0.939 20 0 CBADLP C[N@@H+]1CC[C@H]1CNC(=O)N1CC[C@@H](N2CC[NH+](C)CC2)C1 ZINC001553022427 923937214 /nfs/dbraw/zinc/93/72/14/923937214.db2.gz SLPYRDSMTPUXNW-UONOGXRCSA-N 2 2 295.431 -0.278 20 0 CBADLP C[N@H+]1CC[C@H]1CNC(=O)N1CC[C@@H](N2CC[NH+](C)CC2)C1 ZINC001553022427 923937218 /nfs/dbraw/zinc/93/72/18/923937218.db2.gz SLPYRDSMTPUXNW-UONOGXRCSA-N 2 2 295.431 -0.278 20 0 CBADLP CN1CC[NH+]([C@@H]2CCN(C(=O)NC[C@@H]3CC[N@@H+]3C)C2)CC1 ZINC001553022427 923937232 /nfs/dbraw/zinc/93/72/32/923937232.db2.gz SLPYRDSMTPUXNW-UONOGXRCSA-N 2 2 295.431 -0.278 20 0 CBADLP CN1CC[NH+]([C@@H]2CCN(C(=O)NC[C@@H]3CC[N@H+]3C)C2)CC1 ZINC001553022427 923937242 /nfs/dbraw/zinc/93/72/42/923937242.db2.gz SLPYRDSMTPUXNW-UONOGXRCSA-N 2 2 295.431 -0.278 20 0 CBADLP [NH3+]C1CCN(C(=O)[C@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001553342741 923950091 /nfs/dbraw/zinc/95/00/91/923950091.db2.gz CCKZOZRCQFMSSB-ZIAGYGMSSA-N 2 2 297.399 -0.184 20 0 CBADLP O=C([C@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CCC[NH2+]CC1 ZINC001553348316 923952329 /nfs/dbraw/zinc/95/23/29/923952329.db2.gz IQLPVWGFAIWADB-ZIAGYGMSSA-N 2 2 297.399 -0.312 20 0 CBADLP CC(C)(C[NH3+])NC(=O)[C@@H]1CC[C@@H](C[NH+]2CCOCC2)O1 ZINC001553351525 923953735 /nfs/dbraw/zinc/95/37/35/923953735.db2.gz DCIOVXXUHFPTIQ-RYUDHWBXSA-N 2 2 285.388 -0.280 20 0 CBADLP CC(C)(C[NH3+])NC(=O)[C@H]1CC[C@@H](C[NH+]2CCOCC2)O1 ZINC001553351509 923953889 /nfs/dbraw/zinc/95/38/89/923953889.db2.gz DCIOVXXUHFPTIQ-NWDGAFQWSA-N 2 2 285.388 -0.280 20 0 CBADLP C[C@H](C[NH3+])N(C)C(=O)[C@@H]1CC[C@@H](C[NH+]2CCOCC2)O1 ZINC001553355269 923956375 /nfs/dbraw/zinc/95/63/75/923956375.db2.gz NGTIKOQCAHPUPG-AGIUHOORSA-N 2 2 285.388 -0.328 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@H]2CC[C@@H](C[NH+]3CCOCC3)O2)CC[NH2+]1 ZINC001553357260 923961094 /nfs/dbraw/zinc/96/10/94/923961094.db2.gz VHFUXAOEHOAQDB-RDBSUJKOSA-N 2 2 297.399 -0.314 20 0 CBADLP C[C@H]([C@H](C)NC(=O)[C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1)[NH+]1CCOCC1 ZINC001553419127 923989851 /nfs/dbraw/zinc/98/98/51/923989851.db2.gz ZCRFPGBFODACPV-ZSLBOAEBSA-N 2 2 297.399 -0.269 20 0 CBADLP CC(C)(CNC(=O)N1C[C@@H]2[C@@H](C[NH3+])[C@@H]2C1)[NH+]1CCOCC1 ZINC001553422021 923993573 /nfs/dbraw/zinc/99/35/73/923993573.db2.gz YSJBHCRXOROFCN-XYYAHUGASA-N 2 2 296.415 -0.057 20 0 CBADLP C[N@@H+]1CCO[C@H](CNC(=O)N[C@@]23CCC[C@@H]2C[NH2+]C3)C1 ZINC001553444840 924002509 /nfs/dbraw/zinc/00/25/09/924002509.db2.gz NAXTXCXEBDBNAX-YRGRVCCFSA-N 2 2 282.388 -0.242 20 0 CBADLP C[N@H+]1CCO[C@H](CNC(=O)N[C@@]23CCC[C@@H]2C[NH2+]C3)C1 ZINC001553444840 924002520 /nfs/dbraw/zinc/00/25/20/924002520.db2.gz NAXTXCXEBDBNAX-YRGRVCCFSA-N 2 2 282.388 -0.242 20 0 CBADLP [NH3+][C@@H]1CN(C(=O)NCC[NH+]2CCC([NH3+])CC2)CC12CCC2 ZINC001553531163 924024827 /nfs/dbraw/zinc/02/48/27/924024827.db2.gz SOMXRVFYSQWNKS-CYBMUJFWSA-N 3 2 295.431 -0.068 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)N[C@]23CCC[C@H]2C[NH2+]C3)CC1 ZINC001553530022 924025361 /nfs/dbraw/zinc/02/53/61/924025361.db2.gz QBKYAYDXXYCBAQ-WFASDCNBSA-N 3 2 295.431 -0.149 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N1CC([NH2+][C@H]2CCOC2)C1 ZINC001558550946 924182935 /nfs/dbraw/zinc/18/29/35/924182935.db2.gz KRSRHIKNGDBYRS-VIFPVBQESA-N 2 2 250.302 -0.459 20 0 CBADLP CC[NH+](CC)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)OC ZINC000337459440 214095155 /nfs/dbraw/zinc/09/51/55/214095155.db2.gz LIIMOVPMTUNSRK-LLVKDONJSA-N 2 2 282.344 -0.048 20 0 CBADLP CC[NH+](CC)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)OC ZINC000337459440 214095156 /nfs/dbraw/zinc/09/51/56/214095156.db2.gz LIIMOVPMTUNSRK-LLVKDONJSA-N 2 2 282.344 -0.048 20 0 CBADLP C[NH+](C)C[C@@](C)(O)CNC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000430257878 282129488 /nfs/dbraw/zinc/12/94/88/282129488.db2.gz LNZHIYYZCTZMLX-FZMZJTMJSA-N 2 2 295.387 -0.190 20 0 CBADLP C[NH+](C)Cc1cc(C(=O)NC[C@]2(O)CC[N@H+](C)C2)no1 ZINC000358058254 282145158 /nfs/dbraw/zinc/14/51/58/282145158.db2.gz CJZFNBLJLCOSRX-CYBMUJFWSA-N 2 2 282.344 -0.467 20 0 CBADLP C[NH+](C)Cc1cc(C(=O)NC[C@]2(O)CC[N@@H+](C)C2)no1 ZINC000358058254 282145159 /nfs/dbraw/zinc/14/51/59/282145159.db2.gz CJZFNBLJLCOSRX-CYBMUJFWSA-N 2 2 282.344 -0.467 20 0 CBADLP C[C@@H](C(=O)NCC[NH+]1CCOCC1)N1CC[NH+](C)CC1 ZINC000338014719 214359875 /nfs/dbraw/zinc/35/98/75/214359875.db2.gz CRCGUNGCGTTYGQ-ZDUSSCGKSA-N 2 2 284.404 -0.929 20 0 CBADLP C[C@H](C(=O)N1CC[NH+](C2CC2)CC1)N1CC[NH+](C)CC1 ZINC000338070500 214387861 /nfs/dbraw/zinc/38/78/61/214387861.db2.gz XBYHUOBHTUNNNA-CYBMUJFWSA-N 2 2 280.416 -0.071 20 0 CBADLP CN1CC[N@H+](C)[C@H](CNC(=O)/C=C\C[NH+](C)C)C1 ZINC000491844735 230330967 /nfs/dbraw/zinc/33/09/67/230330967.db2.gz IWWMLLAFZIUOAH-FOQNGQEVSA-N 2 2 254.378 -0.534 20 0 CBADLP CN1CC[N@@H+](C)[C@H](CNC(=O)/C=C\C[NH+](C)C)C1 ZINC000491844735 230330970 /nfs/dbraw/zinc/33/09/70/230330970.db2.gz IWWMLLAFZIUOAH-FOQNGQEVSA-N 2 2 254.378 -0.534 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NCc1[nH]cc[nH+]1 ZINC000273132914 192053250 /nfs/dbraw/zinc/05/32/50/192053250.db2.gz VGGMTTISQDUQII-JTQLQIEISA-N 2 2 252.318 -0.006 20 0 CBADLP C[C@H](CNC(=O)[C@H](C)[C@H](C)[NH3+])[NH+]1CCN(C)CC1 ZINC000493952269 230341299 /nfs/dbraw/zinc/34/12/99/230341299.db2.gz JGBPCEWULUJWPZ-UTUOFQBUSA-N 2 2 256.394 -0.278 20 0 CBADLP CNC(=O)C1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000351284025 219089358 /nfs/dbraw/zinc/08/93/58/219089358.db2.gz AQGBNQIFLBSCAF-CYBMUJFWSA-N 2 2 269.389 -0.101 20 0 CBADLP CNC(=O)C1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000351284025 219089359 /nfs/dbraw/zinc/08/93/59/219089359.db2.gz AQGBNQIFLBSCAF-CYBMUJFWSA-N 2 2 269.389 -0.101 20 0 CBADLP CCC[N@@H+](CC(=O)NC)C[C@H](O)C[NH+](C)C1CC1 ZINC000351482360 219100501 /nfs/dbraw/zinc/10/05/01/219100501.db2.gz ZGNJKNRKDVVJNM-GFCCVEGCSA-N 2 2 257.378 -0.101 20 0 CBADLP CCC[N@H+](CC(=O)NC)C[C@H](O)C[NH+](C)C1CC1 ZINC000351482360 219100503 /nfs/dbraw/zinc/10/05/03/219100503.db2.gz ZGNJKNRKDVVJNM-GFCCVEGCSA-N 2 2 257.378 -0.101 20 0 CBADLP CCC[NH+](CC(=O)NC)C[C@H](O)C[N@H+](C)C1CC1 ZINC000351482360 219100506 /nfs/dbraw/zinc/10/05/06/219100506.db2.gz ZGNJKNRKDVVJNM-GFCCVEGCSA-N 2 2 257.378 -0.101 20 0 CBADLP CCC[NH+](CC(=O)NC)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351482360 219100509 /nfs/dbraw/zinc/10/05/09/219100509.db2.gz ZGNJKNRKDVVJNM-GFCCVEGCSA-N 2 2 257.378 -0.101 20 0 CBADLP [NH3+][C@@H]1CC[C@H]2C[N@H+](CC(=O)NCC(=O)N3CCCC3)C[C@@H]12 ZINC000351496685 219105376 /nfs/dbraw/zinc/10/53/76/219105376.db2.gz RULRFMPJCVANTJ-YNEHKIRRSA-N 2 2 294.399 -0.606 20 0 CBADLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CC(=O)NCC(=O)N3CCCC3)C[C@@H]12 ZINC000351496685 219105377 /nfs/dbraw/zinc/10/53/77/219105377.db2.gz RULRFMPJCVANTJ-YNEHKIRRSA-N 2 2 294.399 -0.606 20 0 CBADLP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H]1CC(C(N)=O)=NO1 ZINC000276438309 282308489 /nfs/dbraw/zinc/30/84/89/282308489.db2.gz IIGFWJMFQJVRIM-SNVBAGLBSA-N 2 2 277.328 -0.133 20 0 CBADLP CNC(=O)[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)C(C)C ZINC000351581738 219134660 /nfs/dbraw/zinc/13/46/60/219134660.db2.gz OLOOYCPGYRDTLD-VXGBXAGGSA-N 2 2 257.378 -0.198 20 0 CBADLP CNC(=O)[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)C(C)C ZINC000351581738 219134664 /nfs/dbraw/zinc/13/46/64/219134664.db2.gz OLOOYCPGYRDTLD-VXGBXAGGSA-N 2 2 257.378 -0.198 20 0 CBADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)CC1(O)CCOCC1 ZINC000162286149 282345541 /nfs/dbraw/zinc/34/55/41/282345541.db2.gz GZBPEOSRVBFZKM-UHFFFAOYSA-N 2 2 285.388 -0.766 20 0 CBADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)CC1(O)CCOCC1 ZINC000162286149 282345543 /nfs/dbraw/zinc/34/55/43/282345543.db2.gz GZBPEOSRVBFZKM-UHFFFAOYSA-N 2 2 285.388 -0.766 20 0 CBADLP C[NH+]1CCN(C(=O)CC[NH2+]Cc2cocn2)CC1 ZINC000192307621 530067778 /nfs/dbraw/zinc/06/77/78/530067778.db2.gz XXCCRQBNMFHYNY-UHFFFAOYSA-N 2 2 252.318 -0.072 20 0 CBADLP CN(C)C(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000085368999 179038679 /nfs/dbraw/zinc/03/86/79/179038679.db2.gz QODWYPYSYFLGGR-STQMWFEESA-N 2 2 296.415 -0.264 20 0 CBADLP CN(C)C(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000085368999 179038681 /nfs/dbraw/zinc/03/86/81/179038681.db2.gz QODWYPYSYFLGGR-STQMWFEESA-N 2 2 296.415 -0.264 20 0 CBADLP C[N@H+](C[C@H](O)C[NH+]1CCSC[C@@H]1CO)C1CC1 ZINC000351713829 219183570 /nfs/dbraw/zinc/18/35/70/219183570.db2.gz XEDRPQISOPZBMB-RYUDHWBXSA-N 2 2 260.403 -0.149 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH+]1CCSC[C@@H]1CO)C1CC1 ZINC000351713829 219183572 /nfs/dbraw/zinc/18/35/72/219183572.db2.gz XEDRPQISOPZBMB-RYUDHWBXSA-N 2 2 260.403 -0.149 20 0 CBADLP C[NH+](C[C@H](O)C[N@@H+]1CCSC[C@@H]1CO)C1CC1 ZINC000351713829 219183573 /nfs/dbraw/zinc/18/35/73/219183573.db2.gz XEDRPQISOPZBMB-RYUDHWBXSA-N 2 2 260.403 -0.149 20 0 CBADLP C[NH+](C[C@H](O)C[N@H+]1CCSC[C@@H]1CO)C1CC1 ZINC000351713829 219183575 /nfs/dbraw/zinc/18/35/75/219183575.db2.gz XEDRPQISOPZBMB-RYUDHWBXSA-N 2 2 260.403 -0.149 20 0 CBADLP C[N@H+](C[C@@H](O)C[NH+]1CCSC[C@H]1CO)C1CC1 ZINC000351713830 219184633 /nfs/dbraw/zinc/18/46/33/219184633.db2.gz XEDRPQISOPZBMB-VXGBXAGGSA-N 2 2 260.403 -0.149 20 0 CBADLP C[N@@H+](C[C@@H](O)C[NH+]1CCSC[C@H]1CO)C1CC1 ZINC000351713830 219184634 /nfs/dbraw/zinc/18/46/34/219184634.db2.gz XEDRPQISOPZBMB-VXGBXAGGSA-N 2 2 260.403 -0.149 20 0 CBADLP C[NH+](C[C@@H](O)C[N@@H+]1CCSC[C@H]1CO)C1CC1 ZINC000351713830 219184636 /nfs/dbraw/zinc/18/46/36/219184636.db2.gz XEDRPQISOPZBMB-VXGBXAGGSA-N 2 2 260.403 -0.149 20 0 CBADLP C[NH+](C[C@@H](O)C[N@H+]1CCSC[C@H]1CO)C1CC1 ZINC000351713830 219184637 /nfs/dbraw/zinc/18/46/37/219184637.db2.gz XEDRPQISOPZBMB-VXGBXAGGSA-N 2 2 260.403 -0.149 20 0 CBADLP C[NH+](C)Cc1ccc(C(=O)N2CC[NH+](CCO)CC2)cn1 ZINC000339247285 215041655 /nfs/dbraw/zinc/04/16/55/215041655.db2.gz NUJOEWCDBGPKJM-UHFFFAOYSA-N 2 2 292.383 -0.107 20 0 CBADLP C[C@H]1C[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@H]1O ZINC000351773150 219202114 /nfs/dbraw/zinc/20/21/14/219202114.db2.gz CNUVEKFKWJIKDO-QWHCGFSZSA-N 2 2 299.415 -0.474 20 0 CBADLP C[C@H]1C[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@H]1O ZINC000351773150 219202115 /nfs/dbraw/zinc/20/21/15/219202115.db2.gz CNUVEKFKWJIKDO-QWHCGFSZSA-N 2 2 299.415 -0.474 20 0 CBADLP C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@H](C)[NH+]2CCOCC2)C1 ZINC000351826632 219217887 /nfs/dbraw/zinc/21/78/87/219217887.db2.gz HYXIAYBLBYRJIO-SRVKXCTJSA-N 2 2 255.362 -0.097 20 0 CBADLP C[C@H](C(=O)N1CC[C@H]([C@H](C)[NH3+])C1)[NH+]1CCOCC1 ZINC000351826634 219218485 /nfs/dbraw/zinc/21/84/85/219218485.db2.gz HYXIAYBLBYRJIO-TUAOUCFPSA-N 2 2 255.362 -0.097 20 0 CBADLP CCNC(=O)[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)C(C)C ZINC000339336596 215104028 /nfs/dbraw/zinc/10/40/28/215104028.db2.gz UOSHFTNFZKGWQB-CYBMUJFWSA-N 2 2 284.404 -0.489 20 0 CBADLP NC(=O)[C@@H](Cc1ccccc1)[NH2+]C[C@H]1C[NH+]2CCN1CC2 ZINC000273380017 192133022 /nfs/dbraw/zinc/13/30/22/192133022.db2.gz FUJDZYZJUFJZKK-LSDHHAIUSA-N 2 2 288.395 -0.328 20 0 CBADLP NC(=O)[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1C[NH+]2CCN1CC2 ZINC000273380014 192133282 /nfs/dbraw/zinc/13/32/82/192133282.db2.gz FUJDZYZJUFJZKK-HUUCEWRRSA-N 2 2 288.395 -0.328 20 0 CBADLP CN(C)c1cc[nH+]cc1C(=O)N1CC[NH+](CCO)CC1 ZINC000273450154 192155760 /nfs/dbraw/zinc/15/57/60/192155760.db2.gz CJCRPYFTKUQARL-UHFFFAOYSA-N 2 2 278.356 -0.102 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C[C@H]1COCC[NH2+]1 ZINC000128931717 187399822 /nfs/dbraw/zinc/39/98/22/187399822.db2.gz USDIHKDPLMQNIM-MNOVXSKESA-N 2 2 252.318 -0.234 20 0 CBADLP C[C@@H]1CN(CC(=O)N2CC[NH+](C)CC2)C[C@@H](C)[NH+]1C ZINC000339629191 215277871 /nfs/dbraw/zinc/27/78/71/215277871.db2.gz LLOXYDGBXIOVOP-CHWSQXEVSA-N 2 2 268.405 -0.215 20 0 CBADLP CC[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](CC)CC2)CC1 ZINC000339672086 215293722 /nfs/dbraw/zinc/29/37/22/215293722.db2.gz WIIQLXMJMKSBML-UHFFFAOYSA-N 2 2 296.415 -0.249 20 0 CBADLP CC[C@@H](C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)OC)[NH+](C)C ZINC000271243640 191024033 /nfs/dbraw/zinc/02/40/33/191024033.db2.gz CFNOEYXCDZSGDL-QWRGUYRKSA-N 2 2 282.344 -0.050 20 0 CBADLP CC[C@@H](C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)OC)[NH+](C)C ZINC000271243640 191024035 /nfs/dbraw/zinc/02/40/35/191024035.db2.gz CFNOEYXCDZSGDL-QWRGUYRKSA-N 2 2 282.344 -0.050 20 0 CBADLP O=C(C[C@@H]1C[NH2+]CCO1)NCCCn1cc[nH+]c1 ZINC000091299318 180126195 /nfs/dbraw/zinc/12/61/95/180126195.db2.gz LQOYPGSJUOYECX-LLVKDONJSA-N 2 2 252.318 -0.232 20 0 CBADLP CCC[N@H+](C[C@H](O)C[NH+](C)C1CC1)[C@H]1CC(=O)N(C)C1=O ZINC000352102009 219319404 /nfs/dbraw/zinc/31/94/04/219319404.db2.gz LSHDSWVMVMZRSX-OLZOCXBDSA-N 2 2 297.399 -0.089 20 0 CBADLP CCC[N@@H+](C[C@H](O)C[NH+](C)C1CC1)[C@H]1CC(=O)N(C)C1=O ZINC000352102009 219319408 /nfs/dbraw/zinc/31/94/08/219319408.db2.gz LSHDSWVMVMZRSX-OLZOCXBDSA-N 2 2 297.399 -0.089 20 0 CBADLP CCC[NH+](C[C@H](O)C[N@H+](C)C1CC1)[C@H]1CC(=O)N(C)C1=O ZINC000352102009 219319410 /nfs/dbraw/zinc/31/94/10/219319410.db2.gz LSHDSWVMVMZRSX-OLZOCXBDSA-N 2 2 297.399 -0.089 20 0 CBADLP CCC[NH+](C[C@H](O)C[N@@H+](C)C1CC1)[C@H]1CC(=O)N(C)C1=O ZINC000352102009 219319415 /nfs/dbraw/zinc/31/94/15/219319415.db2.gz LSHDSWVMVMZRSX-OLZOCXBDSA-N 2 2 297.399 -0.089 20 0 CBADLP C[C@H]1[C@H](NC(=O)C(=O)NCCn2cc[nH+]c2)CCC[N@@H+]1C ZINC000339710021 215308695 /nfs/dbraw/zinc/30/86/95/215308695.db2.gz IIBQYTCLHRTXDX-NWDGAFQWSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@H]1[C@H](NC(=O)C(=O)NCCn2cc[nH+]c2)CCC[N@H+]1C ZINC000339710021 215308696 /nfs/dbraw/zinc/30/86/96/215308696.db2.gz IIBQYTCLHRTXDX-NWDGAFQWSA-N 2 2 293.371 -0.402 20 0 CBADLP CC[N@H+](CCNC(=O)C(=O)NCCn1cc[nH+]c1)C(C)C ZINC000339710924 215311197 /nfs/dbraw/zinc/31/11/97/215311197.db2.gz PXERNBCUPAGNDR-UHFFFAOYSA-N 2 2 295.387 -0.154 20 0 CBADLP CC[N@@H+](CCNC(=O)C(=O)NCCn1cc[nH+]c1)C(C)C ZINC000339710924 215311200 /nfs/dbraw/zinc/31/12/00/215311200.db2.gz PXERNBCUPAGNDR-UHFFFAOYSA-N 2 2 295.387 -0.154 20 0 CBADLP CCCC[N@H+](C)CCNC(=O)C(=O)NCCn1cc[nH+]c1 ZINC000339714551 215311544 /nfs/dbraw/zinc/31/15/44/215311544.db2.gz FUMGIOLBOJAPBT-UHFFFAOYSA-N 2 2 295.387 -0.153 20 0 CBADLP CCCC[N@@H+](C)CCNC(=O)C(=O)NCCn1cc[nH+]c1 ZINC000339714551 215311547 /nfs/dbraw/zinc/31/15/47/215311547.db2.gz FUMGIOLBOJAPBT-UHFFFAOYSA-N 2 2 295.387 -0.153 20 0 CBADLP CC[NH+]1CCN(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000106582426 186127322 /nfs/dbraw/zinc/12/73/22/186127322.db2.gz PGOHOIVPWOCEAE-AWEZNQCLSA-N 2 2 297.447 -0.031 20 0 CBADLP CC[NH+]1CCN(C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000106582426 186127324 /nfs/dbraw/zinc/12/73/24/186127324.db2.gz PGOHOIVPWOCEAE-AWEZNQCLSA-N 2 2 297.447 -0.031 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](CO)CC2)CC1 ZINC000339754668 215328035 /nfs/dbraw/zinc/32/80/35/215328035.db2.gz UMTSYNHWYZFHQY-CYBMUJFWSA-N 2 2 269.389 -0.145 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](CO)CC2)CC1 ZINC000339754668 215328037 /nfs/dbraw/zinc/32/80/37/215328037.db2.gz UMTSYNHWYZFHQY-CYBMUJFWSA-N 2 2 269.389 -0.145 20 0 CBADLP CC(C)CNC(=O)NC(=O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107577392 186179201 /nfs/dbraw/zinc/17/92/01/186179201.db2.gz YVVCZVYYKMYMET-PHIMTYICSA-N 2 2 268.361 -0.381 20 0 CBADLP CC(C)CNC(=O)NC(=O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107577392 186179202 /nfs/dbraw/zinc/17/92/02/186179202.db2.gz YVVCZVYYKMYMET-PHIMTYICSA-N 2 2 268.361 -0.381 20 0 CBADLP CCCCNC(=O)NC(=O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000107579612 186181172 /nfs/dbraw/zinc/18/11/72/186181172.db2.gz JIHKOTLFUXYGIE-GHMZBOCLSA-N 2 2 268.361 -0.237 20 0 CBADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)[C@H]1CCOC1 ZINC000129952242 282707794 /nfs/dbraw/zinc/70/77/94/282707794.db2.gz MWKGFPGVTOZPDR-RYUDHWBXSA-N 2 2 255.362 -0.225 20 0 CBADLP C[C@H](C(=O)N1CCN(CC[NH+](C)C)CC1)[NH+]1CCOCC1 ZINC000339776501 215336978 /nfs/dbraw/zinc/33/69/78/215336978.db2.gz LGIZZKADSOAODC-CQSZACIVSA-N 2 2 298.431 -0.587 20 0 CBADLP COC(=O)CNC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114478025 186627567 /nfs/dbraw/zinc/62/75/67/186627567.db2.gz PEBGTGRWGQZMMT-WDEREUQCSA-N 2 2 271.361 -0.452 20 0 CBADLP COC(=O)CNC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114478025 186627569 /nfs/dbraw/zinc/62/75/69/186627569.db2.gz PEBGTGRWGQZMMT-WDEREUQCSA-N 2 2 271.361 -0.452 20 0 CBADLP O=C(CCn1cc[nH+]c1)NCCN1CC[NH2+]CC1 ZINC000036278511 351390531 /nfs/dbraw/zinc/39/05/31/351390531.db2.gz IJBQJSFJLZZGOC-UHFFFAOYSA-N 2 2 251.334 -0.705 20 0 CBADLP CC(C)CNC(=O)NC(=O)C[NH+]1CCC([NH3+])CC1 ZINC000036754476 351392710 /nfs/dbraw/zinc/39/27/10/351392710.db2.gz SVCJZIFKBVDNLR-UHFFFAOYSA-N 2 2 256.350 -0.109 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000037008653 351396694 /nfs/dbraw/zinc/39/66/94/351396694.db2.gz UGDQYVYECSFNOR-NWDGAFQWSA-N 2 2 255.362 -0.177 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CCC[NH2+]CC1 ZINC000042607710 351435238 /nfs/dbraw/zinc/43/52/38/351435238.db2.gz CSBYVNRHQPDGJY-UHFFFAOYSA-N 2 2 270.377 -0.735 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CCC[NH2+]CC1 ZINC000042607710 351435240 /nfs/dbraw/zinc/43/52/40/351435240.db2.gz CSBYVNRHQPDGJY-UHFFFAOYSA-N 2 2 270.377 -0.735 20 0 CBADLP C[C@H]1CCCCN1C(=O)C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031345 351413026 /nfs/dbraw/zinc/41/30/26/351413026.db2.gz RNZNVDLSLOSRRL-ZDUSSCGKSA-N 2 2 296.415 -0.249 20 0 CBADLP C[C@H]1CCCCN1C(=O)C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031345 351413027 /nfs/dbraw/zinc/41/30/27/351413027.db2.gz RNZNVDLSLOSRRL-ZDUSSCGKSA-N 2 2 296.415 -0.249 20 0 CBADLP C[NH2+]CC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000040430727 351416013 /nfs/dbraw/zinc/41/60/13/351416013.db2.gz KTAHRCXXYNEUHO-UHFFFAOYSA-N 2 2 264.329 -0.246 20 0 CBADLP Cn1cc(C[NH2+][C@@H]2CCC[N@H+](C)C2)c(=O)n(C)c1=O ZINC000040672507 351418248 /nfs/dbraw/zinc/41/82/48/351418248.db2.gz YDXKYMPVQUVTKF-LLVKDONJSA-N 2 2 266.345 -0.732 20 0 CBADLP Cn1cc(C[NH2+][C@@H]2CCC[N@@H+](C)C2)c(=O)n(C)c1=O ZINC000040672507 351418252 /nfs/dbraw/zinc/41/82/52/351418252.db2.gz YDXKYMPVQUVTKF-LLVKDONJSA-N 2 2 266.345 -0.732 20 0 CBADLP CO[C@@H]1C[NH2+][C@@H](C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000040805326 351419482 /nfs/dbraw/zinc/41/94/82/351419482.db2.gz JBURZQMLLAIARM-NWDGAFQWSA-N 2 2 285.388 -0.410 20 0 CBADLP Cc1[nH+]c2ccccc2n1CCNC(=O)CNC(=O)C[NH3+] ZINC000040828765 351419794 /nfs/dbraw/zinc/41/97/94/351419794.db2.gz ZCQSHXGTZXRGIG-UHFFFAOYSA-N 2 2 289.339 -0.464 20 0 CBADLP Cn1cc(C[NH2+]CC(=O)N2CC[NH+](C)CC2)cn1 ZINC000041159993 351422298 /nfs/dbraw/zinc/42/22/98/351422298.db2.gz HFCGJAZSTLMXIK-UHFFFAOYSA-N 2 2 251.334 -0.716 20 0 CBADLP CC[N@H+](CCC(=O)OC)CC(=O)N1CC[NH+](C)CC1 ZINC000050053324 351499549 /nfs/dbraw/zinc/49/95/49/351499549.db2.gz KXBMRWQYSPPKEZ-UHFFFAOYSA-N 2 2 271.361 -0.355 20 0 CBADLP CC[N@@H+](CCC(=O)OC)CC(=O)N1CC[NH+](C)CC1 ZINC000050053324 351499551 /nfs/dbraw/zinc/49/95/51/351499551.db2.gz KXBMRWQYSPPKEZ-UHFFFAOYSA-N 2 2 271.361 -0.355 20 0 CBADLP CO[C@@H]1CCC[C@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000050373722 351501689 /nfs/dbraw/zinc/50/16/89/351501689.db2.gz MCWSMKMEHVAKGT-VXGBXAGGSA-N 2 2 255.362 -0.083 20 0 CBADLP [NH3+][C@@H]1C[C@@H]1C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000050460918 351501732 /nfs/dbraw/zinc/50/17/32/351501732.db2.gz RAQWVWGXBSKOPC-NWDGAFQWSA-N 2 2 276.340 -0.118 20 0 CBADLP CCOC(=O)CC[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000055058792 351540461 /nfs/dbraw/zinc/54/04/61/351540461.db2.gz HGTFMBRQLVLIJH-UHFFFAOYSA-N 2 2 271.361 -0.355 20 0 CBADLP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2CC[NH2+]CC2)CC1 ZINC000055084561 351541308 /nfs/dbraw/zinc/54/13/08/351541308.db2.gz VDCOPBAUPXWXCQ-LBPRGKRZSA-N 2 2 282.388 -0.639 20 0 CBADLP CCc1nc(C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)no1 ZINC000063179979 351580755 /nfs/dbraw/zinc/58/07/55/351580755.db2.gz DYNCSWODMVTJGE-SNVBAGLBSA-N 2 2 281.360 -0.081 20 0 CBADLP CCc1nc(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)no1 ZINC000063179979 351580757 /nfs/dbraw/zinc/58/07/57/351580757.db2.gz DYNCSWODMVTJGE-SNVBAGLBSA-N 2 2 281.360 -0.081 20 0 CBADLP C[NH+](C)CC(=O)N1CC[NH+](CCn2cccn2)CC1 ZINC000058396130 351559127 /nfs/dbraw/zinc/55/91/27/351559127.db2.gz RYFYUDWAZAPIFO-UHFFFAOYSA-N 2 2 265.361 -0.411 20 0 CBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CCC(=O)N1 ZINC000058971539 351561171 /nfs/dbraw/zinc/56/11/71/351561171.db2.gz ZDAMBNQEDLIBDJ-ZDUSSCGKSA-N 2 2 296.415 -0.251 20 0 CBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CCC(=O)N1 ZINC000058971539 351561178 /nfs/dbraw/zinc/56/11/78/351561178.db2.gz ZDAMBNQEDLIBDJ-ZDUSSCGKSA-N 2 2 296.415 -0.251 20 0 CBADLP CN(C)c1[nH+]cc(C[NH2+]C[C@H]2COCCO2)n1C ZINC000070143762 351635418 /nfs/dbraw/zinc/63/54/18/351635418.db2.gz IENOVTKUXZKJHX-NSHDSACASA-N 2 2 254.334 -0.009 20 0 CBADLP CN(C)c1[nH+]cc(C[NH2+]C[C@@H]2COCCO2)n1C ZINC000070143760 351635611 /nfs/dbraw/zinc/63/56/11/351635611.db2.gz IENOVTKUXZKJHX-LLVKDONJSA-N 2 2 254.334 -0.009 20 0 CBADLP CN(C)c1[nH+]cc(C[NH2+][C@H]2CCC(=O)NC2)n1C ZINC000070144256 351635675 /nfs/dbraw/zinc/63/56/75/351635675.db2.gz CHAHMPUXNJMOEC-VIFPVBQESA-N 2 2 251.334 -0.146 20 0 CBADLP Cn1nccc1C[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000071139019 351643269 /nfs/dbraw/zinc/64/32/69/351643269.db2.gz AJQZOGLXAQVEQE-UHFFFAOYSA-N 2 2 251.334 -0.716 20 0 CBADLP CC[N@H+](C)C[C@H]1CC[NH+](CC(=O)NC(=O)NC)C1 ZINC000072859628 351652106 /nfs/dbraw/zinc/65/21/06/351652106.db2.gz QJMDEEVMZNBWHI-SNVBAGLBSA-N 2 2 256.350 -0.284 20 0 CBADLP CC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)NC(=O)NC)C1 ZINC000072859628 351652108 /nfs/dbraw/zinc/65/21/08/351652108.db2.gz QJMDEEVMZNBWHI-SNVBAGLBSA-N 2 2 256.350 -0.284 20 0 CBADLP CC[NH+](C)C[C@H]1CC[N@H+](CC(=O)NC(=O)NC)C1 ZINC000072859628 351652110 /nfs/dbraw/zinc/65/21/10/351652110.db2.gz QJMDEEVMZNBWHI-SNVBAGLBSA-N 2 2 256.350 -0.284 20 0 CBADLP CC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NC(=O)NC)C1 ZINC000072859628 351652112 /nfs/dbraw/zinc/65/21/12/351652112.db2.gz QJMDEEVMZNBWHI-SNVBAGLBSA-N 2 2 256.350 -0.284 20 0 CBADLP CC(C)[NH2+]CCC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000068807357 351622179 /nfs/dbraw/zinc/62/21/79/351622179.db2.gz UCLAXWHBWFZVHS-GFCCVEGCSA-N 2 2 256.394 -0.264 20 0 CBADLP CC(C)[NH2+]CCC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000068807357 351622182 /nfs/dbraw/zinc/62/21/82/351622182.db2.gz UCLAXWHBWFZVHS-GFCCVEGCSA-N 2 2 256.394 -0.264 20 0 CBADLP NC(=O)NC(=O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080959977 351701924 /nfs/dbraw/zinc/70/19/24/351701924.db2.gz NELWUWITZDRHPS-QMMMGPOBSA-N 2 2 251.290 -0.216 20 0 CBADLP NC(=O)NC(=O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080959977 351701928 /nfs/dbraw/zinc/70/19/28/351701928.db2.gz NELWUWITZDRHPS-QMMMGPOBSA-N 2 2 251.290 -0.216 20 0 CBADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000081234627 351702786 /nfs/dbraw/zinc/70/27/86/351702786.db2.gz MMDPJPYZDZRDFL-KBPBESRZSA-N 2 2 299.415 -0.210 20 0 CBADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000081234627 351702789 /nfs/dbraw/zinc/70/27/89/351702789.db2.gz MMDPJPYZDZRDFL-KBPBESRZSA-N 2 2 299.415 -0.210 20 0 CBADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000081234627 351702794 /nfs/dbraw/zinc/70/27/94/351702794.db2.gz MMDPJPYZDZRDFL-KBPBESRZSA-N 2 2 299.415 -0.210 20 0 CBADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000081234627 351702796 /nfs/dbraw/zinc/70/27/96/351702796.db2.gz MMDPJPYZDZRDFL-KBPBESRZSA-N 2 2 299.415 -0.210 20 0 CBADLP C[NH+](C)CCN1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000081354831 351705320 /nfs/dbraw/zinc/70/53/20/351705320.db2.gz XUTLEPSASLDSIL-AWEZNQCLSA-N 2 2 298.431 -0.587 20 0 CBADLP C[NH+](C)CCN1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000081354831 351705325 /nfs/dbraw/zinc/70/53/25/351705325.db2.gz XUTLEPSASLDSIL-AWEZNQCLSA-N 2 2 298.431 -0.587 20 0 CBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)S(N)(=O)=O ZINC000076106071 351674577 /nfs/dbraw/zinc/67/45/77/351674577.db2.gz DZQOWYMXTTYGJD-UHFFFAOYSA-N 2 2 264.395 -0.852 20 0 CBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)S(N)(=O)=O ZINC000076106071 351674582 /nfs/dbraw/zinc/67/45/82/351674582.db2.gz DZQOWYMXTTYGJD-UHFFFAOYSA-N 2 2 264.395 -0.852 20 0 CBADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000087083998 351721935 /nfs/dbraw/zinc/72/19/35/351721935.db2.gz UIZPUJRCPZWIKI-CYBMUJFWSA-N 2 2 269.389 -0.003 20 0 CBADLP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000087083998 351721936 /nfs/dbraw/zinc/72/19/36/351721936.db2.gz UIZPUJRCPZWIKI-CYBMUJFWSA-N 2 2 269.389 -0.003 20 0 CBADLP CCn1ncnc1C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000088602566 351725922 /nfs/dbraw/zinc/72/59/22/351725922.db2.gz KMEGQEHEOVSUQZ-LLVKDONJSA-N 2 2 280.376 -0.415 20 0 CBADLP CCn1ncnc1C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000088602566 351725926 /nfs/dbraw/zinc/72/59/26/351725926.db2.gz KMEGQEHEOVSUQZ-LLVKDONJSA-N 2 2 280.376 -0.415 20 0 CBADLP CCCn1ncnc1C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000088602568 351727257 /nfs/dbraw/zinc/72/72/57/351727257.db2.gz XKWAOHODCJYILX-GFCCVEGCSA-N 2 2 294.403 -0.025 20 0 CBADLP CCCn1ncnc1C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000088602568 351727259 /nfs/dbraw/zinc/72/72/59/351727259.db2.gz XKWAOHODCJYILX-GFCCVEGCSA-N 2 2 294.403 -0.025 20 0 CBADLP C[C@@H](CS(C)(=O)=O)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000081907705 351711247 /nfs/dbraw/zinc/71/12/47/351711247.db2.gz JREBDXGKCIPQQZ-QWRGUYRKSA-N 2 2 264.391 -0.534 20 0 CBADLP CN1CC[NH+](CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000082303763 351712114 /nfs/dbraw/zinc/71/21/14/351712114.db2.gz OPOPYTXQKRDCMU-UHFFFAOYSA-N 2 2 254.378 -0.602 20 0 CBADLP C[NH+]1CCC(C(=O)N2CC[NH+](CCO)CC2)CC1 ZINC000096624944 351775887 /nfs/dbraw/zinc/77/58/87/351775887.db2.gz GODUPDHPXJAKHW-UHFFFAOYSA-N 2 2 255.362 -0.535 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)CN1CC[NH+](C)CC1 ZINC000111596810 351803984 /nfs/dbraw/zinc/80/39/84/351803984.db2.gz WILCXPPWCOKRPH-UHFFFAOYSA-N 2 2 284.404 -0.976 20 0 CBADLP O=C(C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)NC(=O)NC1CC1 ZINC000107575550 351794758 /nfs/dbraw/zinc/79/47/58/351794758.db2.gz LURHHKMBPRDWQF-RKDXNWHRSA-N 2 2 252.318 -0.874 20 0 CBADLP O=C(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)NC[C@H]1CCCO1 ZINC000107576007 351795007 /nfs/dbraw/zinc/79/50/07/351795007.db2.gz IBUDVMTZZZOZAL-GRYCIOLGSA-N 2 2 253.346 -0.567 20 0 CBADLP O=C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)NC[C@H]1CCCO1 ZINC000107576007 351795011 /nfs/dbraw/zinc/79/50/11/351795011.db2.gz IBUDVMTZZZOZAL-GRYCIOLGSA-N 2 2 253.346 -0.567 20 0 CBADLP CCNC(=O)NC(=O)[C@H](C)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000107855386 351796268 /nfs/dbraw/zinc/79/62/68/351796268.db2.gz NMWKCUYYOXDVJA-IVZWLZJFSA-N 2 2 254.334 -0.628 20 0 CBADLP CC[N@H+](CC(=O)N1CC[NH+](C)CC1)CC(C)(C)O ZINC000092982065 351754971 /nfs/dbraw/zinc/75/49/71/351754971.db2.gz QNCJXKBVPOPZLR-UHFFFAOYSA-N 2 2 257.378 -0.147 20 0 CBADLP CC[N@@H+](CC(=O)N1CC[NH+](C)CC1)CC(C)(C)O ZINC000092982065 351754973 /nfs/dbraw/zinc/75/49/73/351754973.db2.gz QNCJXKBVPOPZLR-UHFFFAOYSA-N 2 2 257.378 -0.147 20 0 CBADLP C[C@H]1CCC[N@H+](CC(=O)N2CC[NH+](C)CC2)[C@@H]1CO ZINC000093204169 351757900 /nfs/dbraw/zinc/75/79/00/351757900.db2.gz UFADVOYWGKAYEQ-QWHCGFSZSA-N 2 2 269.389 -0.147 20 0 CBADLP C[C@H]1CCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)[C@@H]1CO ZINC000093204169 351757904 /nfs/dbraw/zinc/75/79/04/351757904.db2.gz UFADVOYWGKAYEQ-QWHCGFSZSA-N 2 2 269.389 -0.147 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCCC[C@H]2CC(N)=O)CC1 ZINC000093171967 351757926 /nfs/dbraw/zinc/75/79/26/351757926.db2.gz WKDJWUKJZIHEGL-LBPRGKRZSA-N 2 2 282.388 -0.510 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CCCC[C@H]2CC(N)=O)CC1 ZINC000093171967 351757931 /nfs/dbraw/zinc/75/79/31/351757931.db2.gz WKDJWUKJZIHEGL-LBPRGKRZSA-N 2 2 282.388 -0.510 20 0 CBADLP CCC(=O)N[C@H]1CCC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000093169233 351758632 /nfs/dbraw/zinc/75/86/32/351758632.db2.gz COSZUHDWIIAAQB-ZDUSSCGKSA-N 2 2 296.415 -0.249 20 0 CBADLP CCC(=O)N[C@H]1CCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000093169233 351758635 /nfs/dbraw/zinc/75/86/35/351758635.db2.gz COSZUHDWIIAAQB-ZDUSSCGKSA-N 2 2 296.415 -0.249 20 0 CBADLP C[C@H]1C[N@H+](Cc2cc(=O)n(C)c(=O)n2C)CC[C@@H]1[NH3+] ZINC000094341497 351763080 /nfs/dbraw/zinc/76/30/80/351763080.db2.gz KTECFAADHGMRHM-ONGXEEELSA-N 2 2 266.345 -0.747 20 0 CBADLP C[C@H]1C[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)CC[C@@H]1[NH3+] ZINC000094341497 351763083 /nfs/dbraw/zinc/76/30/83/351763083.db2.gz KTECFAADHGMRHM-ONGXEEELSA-N 2 2 266.345 -0.747 20 0 CBADLP CC[C@@H](C(=O)NC[C@](C)(O)C[NH+]1CCOCC1)[NH+](C)C ZINC000125387099 351857885 /nfs/dbraw/zinc/85/78/85/351857885.db2.gz LHEZPVSWHJJRCL-JSGCOSHPSA-N 2 2 287.404 -0.474 20 0 CBADLP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCCCCn1cc[nH+]c1 ZINC000126285309 351859715 /nfs/dbraw/zinc/85/97/15/351859715.db2.gz ZKVIYIRZNLUZNB-ZDUSSCGKSA-N 2 2 295.387 -0.121 20 0 CBADLP CSCC[C@@H]([NH3+])C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000130855652 351882007 /nfs/dbraw/zinc/88/20/07/351882007.db2.gz SYTXTZOASYYDTD-WDEREUQCSA-N 2 2 275.418 -0.096 20 0 CBADLP CN(C)c1[nH+]cc(C[NH2+]CCc2ncn(C)n2)n1C ZINC000127943641 351865095 /nfs/dbraw/zinc/86/50/95/351865095.db2.gz CBOPLHJLIUPKAP-UHFFFAOYSA-N 2 2 263.349 -0.053 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[N@H+](C)CCCn1cc[nH+]c1 ZINC000124244002 187128141 /nfs/dbraw/zinc/12/81/41/187128141.db2.gz AGWVROTYCUKAFF-SECBINFHSA-N 2 2 253.306 -0.212 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124244002 187128142 /nfs/dbraw/zinc/12/81/42/187128142.db2.gz AGWVROTYCUKAFF-SECBINFHSA-N 2 2 253.306 -0.212 20 0 CBADLP O=C1CCC(=O)N1CC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129228774 351869707 /nfs/dbraw/zinc/86/97/07/351869707.db2.gz KGMNXULWEOVLBE-ZDUSSCGKSA-N 2 2 295.383 -0.211 20 0 CBADLP O=C1CCC(=O)N1CC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129228774 351869711 /nfs/dbraw/zinc/86/97/11/351869711.db2.gz KGMNXULWEOVLBE-ZDUSSCGKSA-N 2 2 295.383 -0.211 20 0 CBADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)N3CCNC3=O)CC[C@@H]21 ZINC000139939504 351924580 /nfs/dbraw/zinc/92/45/80/351924580.db2.gz TWOFLYQSWSIHBJ-NEPJUHHUSA-N 2 2 280.372 -0.046 20 0 CBADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)N3CCNC3=O)CC[C@@H]21 ZINC000139939504 351924583 /nfs/dbraw/zinc/92/45/83/351924583.db2.gz TWOFLYQSWSIHBJ-NEPJUHHUSA-N 2 2 280.372 -0.046 20 0 CBADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)N3CCNC3=O)CC[C@@H]21 ZINC000139939504 351924585 /nfs/dbraw/zinc/92/45/85/351924585.db2.gz TWOFLYQSWSIHBJ-NEPJUHHUSA-N 2 2 280.372 -0.046 20 0 CBADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)N3CCNC3=O)CC[C@@H]21 ZINC000139939504 351924588 /nfs/dbraw/zinc/92/45/88/351924588.db2.gz TWOFLYQSWSIHBJ-NEPJUHHUSA-N 2 2 280.372 -0.046 20 0 CBADLP C[N@H+](CCNS(C)(=O)=O)C[C@H]1CCC[NH+](C)C1 ZINC000152383471 351939160 /nfs/dbraw/zinc/93/91/60/351939160.db2.gz LZFPYZQXOUFMSD-NSHDSACASA-N 2 2 263.407 -0.191 20 0 CBADLP C[N@@H+](CCNS(C)(=O)=O)C[C@H]1CCC[NH+](C)C1 ZINC000152383471 351939162 /nfs/dbraw/zinc/93/91/62/351939162.db2.gz LZFPYZQXOUFMSD-NSHDSACASA-N 2 2 263.407 -0.191 20 0 CBADLP C[NH+](CCNS(C)(=O)=O)C[C@H]1CCC[N@H+](C)C1 ZINC000152383471 351939166 /nfs/dbraw/zinc/93/91/66/351939166.db2.gz LZFPYZQXOUFMSD-NSHDSACASA-N 2 2 263.407 -0.191 20 0 CBADLP C[NH+](CCNS(C)(=O)=O)C[C@H]1CCC[N@@H+](C)C1 ZINC000152383471 351939168 /nfs/dbraw/zinc/93/91/68/351939168.db2.gz LZFPYZQXOUFMSD-NSHDSACASA-N 2 2 263.407 -0.191 20 0 CBADLP C[NH+](C)C[C@](C)(O)CNC(=O)NCCn1cc[nH+]c1 ZINC000132703688 351894849 /nfs/dbraw/zinc/89/48/49/351894849.db2.gz LBDIXJIPWHTEEE-GFCCVEGCSA-N 2 2 269.349 -0.505 20 0 CBADLP CCO[C@H]1C[C@@]([NH3+])(C(=O)NCC[NH+]2CCOCC2)C1(C)C ZINC000133805866 351901891 /nfs/dbraw/zinc/90/18/91/351901891.db2.gz MQRMJRPWTLHKIA-SWLSCSKDSA-N 2 2 299.415 -0.033 20 0 CBADLP CC[C@H](C)[C@H](NC(=O)C[N@H+](C)CCC[NH3+])C(=O)OC ZINC000133788442 351902657 /nfs/dbraw/zinc/90/26/57/351902657.db2.gz WMUVDNXJVYJTLX-JQWIXIFHSA-N 2 2 273.377 -0.029 20 0 CBADLP CC[C@H](C)[C@H](NC(=O)C[N@@H+](C)CCC[NH3+])C(=O)OC ZINC000133788442 351902662 /nfs/dbraw/zinc/90/26/62/351902662.db2.gz WMUVDNXJVYJTLX-JQWIXIFHSA-N 2 2 273.377 -0.029 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000156709820 351953277 /nfs/dbraw/zinc/95/32/77/351953277.db2.gz YXFMRKYNUDCSAZ-JHJVBQTASA-N 2 2 293.371 -0.004 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000156709820 351953281 /nfs/dbraw/zinc/95/32/81/351953281.db2.gz YXFMRKYNUDCSAZ-JHJVBQTASA-N 2 2 293.371 -0.004 20 0 CBADLP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)NC(N)=O)CC[C@@H]21 ZINC000158993387 351959954 /nfs/dbraw/zinc/95/99/54/351959954.db2.gz KLZPONCQOTXPHR-UWVGGRQHSA-N 2 2 254.334 -0.403 20 0 CBADLP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)NC(N)=O)CC[C@@H]21 ZINC000158993387 351959956 /nfs/dbraw/zinc/95/99/56/351959956.db2.gz KLZPONCQOTXPHR-UWVGGRQHSA-N 2 2 254.334 -0.403 20 0 CBADLP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)NC(N)=O)CC[C@@H]21 ZINC000158993387 351959959 /nfs/dbraw/zinc/95/99/59/351959959.db2.gz KLZPONCQOTXPHR-UWVGGRQHSA-N 2 2 254.334 -0.403 20 0 CBADLP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)NC(N)=O)CC[C@@H]21 ZINC000158993387 351959961 /nfs/dbraw/zinc/95/99/61/351959961.db2.gz KLZPONCQOTXPHR-UWVGGRQHSA-N 2 2 254.334 -0.403 20 0 CBADLP O=C(NCCCNc1cccc[nH+]1)[C@@H]1C[NH2+]CCO1 ZINC000165242065 351985800 /nfs/dbraw/zinc/98/58/00/351985800.db2.gz IFNPZTNSTYOWNS-NSHDSACASA-N 2 2 264.329 -0.012 20 0 CBADLP O=C(NCCCC[NH+]1CCOCC1)[C@H]1CSC[NH2+]1 ZINC000165105381 351985959 /nfs/dbraw/zinc/98/59/59/351985959.db2.gz HSHGMLVVOVPMQO-LLVKDONJSA-N 2 2 273.402 -0.123 20 0 CBADLP Cc1nc(N2CCN(C(=O)C[NH+](C)C)CC2)cc[nH+]1 ZINC000174678206 352050089 /nfs/dbraw/zinc/05/00/89/352050089.db2.gz DSLASYMBVXHFGW-UHFFFAOYSA-N 2 2 263.345 -0.005 20 0 CBADLP C[C@H](CNC(=O)C[NH+](C)C)CN1CC[NH+](C)CC1 ZINC000176012446 352062297 /nfs/dbraw/zinc/06/22/97/352062297.db2.gz IJQVDPFWKMYOSV-GFCCVEGCSA-N 2 2 256.394 -0.452 20 0 CBADLP COC(=O)[C@@H]1C[C@@H]1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000177141131 352071812 /nfs/dbraw/zinc/07/18/12/352071812.db2.gz JPQVODNBGBTZRY-QWHCGFSZSA-N 2 2 297.399 -0.062 20 0 CBADLP CN1C[C@@H](C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC1=O ZINC000177149505 352071839 /nfs/dbraw/zinc/07/18/39/352071839.db2.gz NWHKYBNRZFSSMH-LBPRGKRZSA-N 2 2 296.415 -0.393 20 0 CBADLP NC(=O)NC(=O)CCC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000172935400 352032409 /nfs/dbraw/zinc/03/24/09/352032409.db2.gz WWRJLPCUDPFGKF-GFCCVEGCSA-N 2 2 298.387 -0.384 20 0 CBADLP NC(=O)NC(=O)CCC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000172935400 352032411 /nfs/dbraw/zinc/03/24/11/352032411.db2.gz WWRJLPCUDPFGKF-GFCCVEGCSA-N 2 2 298.387 -0.384 20 0 CBADLP C[C@@H]1CN(C(=O)C[NH+](C)C)CC[N@@H+]1CC(C)(C)O ZINC000186860735 352134287 /nfs/dbraw/zinc/13/42/87/352134287.db2.gz KIAGNAUYNFMTBO-LLVKDONJSA-N 2 2 257.378 -0.148 20 0 CBADLP C[C@@H]1CN(C(=O)C[NH+](C)C)CC[N@H+]1CC(C)(C)O ZINC000186860735 352134289 /nfs/dbraw/zinc/13/42/89/352134289.db2.gz KIAGNAUYNFMTBO-LLVKDONJSA-N 2 2 257.378 -0.148 20 0 CBADLP COC[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000178735375 352082423 /nfs/dbraw/zinc/08/24/23/352082423.db2.gz ONVDJOHICKRGKM-QWHCGFSZSA-N 2 2 285.388 -0.768 20 0 CBADLP COC[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000178735375 352082426 /nfs/dbraw/zinc/08/24/26/352082426.db2.gz ONVDJOHICKRGKM-QWHCGFSZSA-N 2 2 285.388 -0.768 20 0 CBADLP O=C([C@H]1COCC[NH2+]1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178844481 352083360 /nfs/dbraw/zinc/08/33/60/352083360.db2.gz QOWHQDQRNFIVFM-QWHCGFSZSA-N 2 2 283.372 -0.845 20 0 CBADLP CCN1CC[NH+](C[C@H](C)CNC(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000178877854 352084752 /nfs/dbraw/zinc/08/47/52/352084752.db2.gz YJKOMYSGYVLWIH-KGLIPLIRSA-N 2 2 298.431 -0.635 20 0 CBADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000178877854 352084754 /nfs/dbraw/zinc/08/47/54/352084754.db2.gz YJKOMYSGYVLWIH-KGLIPLIRSA-N 2 2 298.431 -0.635 20 0 CBADLP O=C([C@@H]1CSC[NH2+]1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178844964 352084825 /nfs/dbraw/zinc/08/48/25/352084825.db2.gz ZGZZTLUXVQSFTP-RYUDHWBXSA-N 2 2 285.413 -0.170 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCCC[C@@H]2C(N)=O)CC1 ZINC000181914747 352102194 /nfs/dbraw/zinc/10/21/94/352102194.db2.gz PHAYCKCAMLRYJT-LLVKDONJSA-N 2 2 268.361 -0.900 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CCCC[C@@H]2C(N)=O)CC1 ZINC000181914747 352102196 /nfs/dbraw/zinc/10/21/96/352102196.db2.gz PHAYCKCAMLRYJT-LLVKDONJSA-N 2 2 268.361 -0.900 20 0 CBADLP CC1(C)C[N@H+](CCNC(=O)[C@H]2C[C@H](F)C[NH2+]2)CCO1 ZINC000188748784 352158726 /nfs/dbraw/zinc/15/87/26/352158726.db2.gz UPUGNHUQCXXYTC-WDEREUQCSA-N 2 2 273.352 -0.087 20 0 CBADLP CC1(C)C[N@@H+](CCNC(=O)[C@H]2C[C@H](F)C[NH2+]2)CCO1 ZINC000188748784 352158727 /nfs/dbraw/zinc/15/87/27/352158727.db2.gz UPUGNHUQCXXYTC-WDEREUQCSA-N 2 2 273.352 -0.087 20 0 CBADLP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H](C)c3nnnn3C)C2)CC1 ZINC000189239491 352165904 /nfs/dbraw/zinc/16/59/04/352165904.db2.gz SVQWOMWQXKKSAN-QWHCGFSZSA-N 2 2 293.419 -0.017 20 0 CBADLP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)c3nnnn3C)C2)CC1 ZINC000189239491 352165905 /nfs/dbraw/zinc/16/59/05/352165905.db2.gz SVQWOMWQXKKSAN-QWHCGFSZSA-N 2 2 293.419 -0.017 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)NCC[NH+]2CCCOCC2)C1 ZINC000189379100 352168359 /nfs/dbraw/zinc/16/83/59/352168359.db2.gz ZSFCCRUVVYVPMW-LBPRGKRZSA-N 2 2 271.361 -0.845 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)NCC[NH+]2CCCOCC2)C1 ZINC000189379100 352168361 /nfs/dbraw/zinc/16/83/61/352168361.db2.gz ZSFCCRUVVYVPMW-LBPRGKRZSA-N 2 2 271.361 -0.845 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)NCC[N@@H+]2CCCOCC2)C1 ZINC000189379100 352168363 /nfs/dbraw/zinc/16/83/63/352168363.db2.gz ZSFCCRUVVYVPMW-LBPRGKRZSA-N 2 2 271.361 -0.845 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)NCC[N@H+]2CCCOCC2)C1 ZINC000189379100 352168365 /nfs/dbraw/zinc/16/83/65/352168365.db2.gz ZSFCCRUVVYVPMW-LBPRGKRZSA-N 2 2 271.361 -0.845 20 0 CBADLP COCCO[C@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000189735908 352173762 /nfs/dbraw/zinc/17/37/62/352173762.db2.gz NOVHQSKCRUHNPR-ZDUSSCGKSA-N 2 2 285.388 -0.502 20 0 CBADLP COCCO[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000189735908 352173764 /nfs/dbraw/zinc/17/37/64/352173764.db2.gz NOVHQSKCRUHNPR-ZDUSSCGKSA-N 2 2 285.388 -0.502 20 0 CBADLP CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@@H](C)[NH+]2CCOCC2)C1 ZINC000187907793 352144169 /nfs/dbraw/zinc/14/41/69/352144169.db2.gz CVHVZSQJKXYLDB-GRYCIOLGSA-N 2 2 271.361 -0.800 20 0 CBADLP COCC[N@@H+]1CCN(C(=O)[C@H]2C[NH2+]CCO2)C[C@H]1C ZINC000188187956 352148135 /nfs/dbraw/zinc/14/81/35/352148135.db2.gz DAZPKVVLFIVSTH-VXGBXAGGSA-N 2 2 271.361 -0.846 20 0 CBADLP COCC[N@H+]1CCN(C(=O)[C@H]2C[NH2+]CCO2)C[C@H]1C ZINC000188187956 352148139 /nfs/dbraw/zinc/14/81/39/352148139.db2.gz DAZPKVVLFIVSTH-VXGBXAGGSA-N 2 2 271.361 -0.846 20 0 CBADLP CCOCC[N@@H+]1CCN(C(=O)[C@H]2C[NH2+]CCO2)C[C@H]1C ZINC000188188229 352148827 /nfs/dbraw/zinc/14/88/27/352148827.db2.gz GRUHLWZDTAGZDO-CHWSQXEVSA-N 2 2 285.388 -0.456 20 0 CBADLP CCOCC[N@H+]1CCN(C(=O)[C@H]2C[NH2+]CCO2)C[C@H]1C ZINC000188188229 352148830 /nfs/dbraw/zinc/14/88/30/352148830.db2.gz GRUHLWZDTAGZDO-CHWSQXEVSA-N 2 2 285.388 -0.456 20 0 CBADLP COCC[N@@H+]1CCN(C(=O)[C@H]2C[NH2+]CCO2)C[C@@H]1C ZINC000188187982 352148903 /nfs/dbraw/zinc/14/89/03/352148903.db2.gz DAZPKVVLFIVSTH-NWDGAFQWSA-N 2 2 271.361 -0.846 20 0 CBADLP COCC[N@H+]1CCN(C(=O)[C@H]2C[NH2+]CCO2)C[C@@H]1C ZINC000188187982 352148907 /nfs/dbraw/zinc/14/89/07/352148907.db2.gz DAZPKVVLFIVSTH-NWDGAFQWSA-N 2 2 271.361 -0.846 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+](CCO)C2CCC2)CC1 ZINC000221206348 352240250 /nfs/dbraw/zinc/24/02/50/352240250.db2.gz UWHRCXQIYZCHCR-UHFFFAOYSA-N 2 2 255.362 -0.393 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+](CCO)C2CCC2)CC1 ZINC000221206348 352240252 /nfs/dbraw/zinc/24/02/52/352240252.db2.gz UWHRCXQIYZCHCR-UHFFFAOYSA-N 2 2 255.362 -0.393 20 0 CBADLP C[NH2+]CC(=O)N1CC[NH+]([C@H](C)CC(=O)OC)CC1 ZINC000193131767 352203768 /nfs/dbraw/zinc/20/37/68/352203768.db2.gz JOGCRQDUMABVCG-SNVBAGLBSA-N 2 2 257.334 -0.698 20 0 CBADLP CCS(=O)(=O)NCC[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193639128 352206976 /nfs/dbraw/zinc/20/69/76/352206976.db2.gz OLKTZNJBWGQCBU-PHIMTYICSA-N 2 2 261.391 -0.581 20 0 CBADLP CCS(=O)(=O)NCC[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193639128 352206980 /nfs/dbraw/zinc/20/69/80/352206980.db2.gz OLKTZNJBWGQCBU-PHIMTYICSA-N 2 2 261.391 -0.581 20 0 CBADLP CCS(=O)(=O)NCC[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193639128 352206985 /nfs/dbraw/zinc/20/69/85/352206985.db2.gz OLKTZNJBWGQCBU-PHIMTYICSA-N 2 2 261.391 -0.581 20 0 CBADLP CCS(=O)(=O)NCC[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193639128 352206989 /nfs/dbraw/zinc/20/69/89/352206989.db2.gz OLKTZNJBWGQCBU-PHIMTYICSA-N 2 2 261.391 -0.581 20 0 CBADLP CCCNC(=O)NC(=O)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193604926 352207004 /nfs/dbraw/zinc/20/70/04/352207004.db2.gz XCSYOIHENCYXSR-PHIMTYICSA-N 2 2 268.361 -0.284 20 0 CBADLP CCCNC(=O)NC(=O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193604926 352207010 /nfs/dbraw/zinc/20/70/10/352207010.db2.gz XCSYOIHENCYXSR-PHIMTYICSA-N 2 2 268.361 -0.284 20 0 CBADLP CCCNC(=O)NC(=O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193604926 352207011 /nfs/dbraw/zinc/20/70/11/352207011.db2.gz XCSYOIHENCYXSR-PHIMTYICSA-N 2 2 268.361 -0.284 20 0 CBADLP CCCNC(=O)NC(=O)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193604926 352207015 /nfs/dbraw/zinc/20/70/15/352207015.db2.gz XCSYOIHENCYXSR-PHIMTYICSA-N 2 2 268.361 -0.284 20 0 CBADLP CCNC(=O)NC(=O)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193652646 352207763 /nfs/dbraw/zinc/20/77/63/352207763.db2.gz ZMWUPWSGRPFLTQ-AOOOYVTPSA-N 2 2 254.334 -0.675 20 0 CBADLP CCNC(=O)NC(=O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193652646 352207765 /nfs/dbraw/zinc/20/77/65/352207765.db2.gz ZMWUPWSGRPFLTQ-AOOOYVTPSA-N 2 2 254.334 -0.675 20 0 CBADLP CCNC(=O)NC(=O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193652646 352207766 /nfs/dbraw/zinc/20/77/66/352207766.db2.gz ZMWUPWSGRPFLTQ-AOOOYVTPSA-N 2 2 254.334 -0.675 20 0 CBADLP CCNC(=O)NC(=O)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193652646 352207767 /nfs/dbraw/zinc/20/77/67/352207767.db2.gz ZMWUPWSGRPFLTQ-AOOOYVTPSA-N 2 2 254.334 -0.675 20 0 CBADLP CC(=O)N1CCN(C(=O)C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)CC1 ZINC000227071909 352255931 /nfs/dbraw/zinc/25/59/31/352255931.db2.gz SGIFFJXTQKZHTH-WCQYABFASA-N 2 2 282.388 -0.654 20 0 CBADLP CC(=O)N1CCN(C(=O)C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)CC1 ZINC000227071909 352255932 /nfs/dbraw/zinc/25/59/32/352255932.db2.gz SGIFFJXTQKZHTH-WCQYABFASA-N 2 2 282.388 -0.654 20 0 CBADLP CO[C@@H](C[NH3+])C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000227373685 352257197 /nfs/dbraw/zinc/25/71/97/352257197.db2.gz UQBBWSMPMLBSGL-JTQLQIEISA-N 2 2 259.350 -0.813 20 0 CBADLP CO[C@@H](C[NH3+])C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000227363164 352257479 /nfs/dbraw/zinc/25/74/79/352257479.db2.gz VTPGXUWLCYYDTD-ZDUSSCGKSA-N 2 2 278.356 -0.301 20 0 CBADLP CN(C)c1[nH+]cc(C[NH2+]CCCOCCO)n1C ZINC000230783079 352274475 /nfs/dbraw/zinc/27/44/75/352274475.db2.gz LMOFGYUTBBXVOL-UHFFFAOYSA-N 2 2 256.350 -0.025 20 0 CBADLP CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000226031220 352251505 /nfs/dbraw/zinc/25/15/05/352251505.db2.gz HIPXUSSMZIYTQE-VHSXEESVSA-N 2 2 256.350 -0.109 20 0 CBADLP CCNC(=O)NC(=O)C[N@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000226031220 352251508 /nfs/dbraw/zinc/25/15/08/352251508.db2.gz HIPXUSSMZIYTQE-VHSXEESVSA-N 2 2 256.350 -0.109 20 0 CBADLP COC[C@@H](C)OC[C@H](O)C[NH2+]CCn1cc[nH+]c1 ZINC000234853028 352286207 /nfs/dbraw/zinc/28/62/07/352286207.db2.gz NKLQEFPVQHOCEQ-VXGBXAGGSA-N 2 2 257.334 -0.115 20 0 CBADLP CC(C)[C@@H](CNC(=O)[C@H]1COCC[NH2+]1)[NH+]1CCOCC1 ZINC000236688464 352292083 /nfs/dbraw/zinc/29/20/83/352292083.db2.gz WQNBKRQEQGMSTM-CHWSQXEVSA-N 2 2 285.388 -0.552 20 0 CBADLP CC(C)[C@@H](CNC(=O)[C@@H]1COCC[NH2+]1)[NH+]1CCOCC1 ZINC000236684992 352292104 /nfs/dbraw/zinc/29/21/04/352292104.db2.gz WQNBKRQEQGMSTM-QWHCGFSZSA-N 2 2 285.388 -0.552 20 0 CBADLP CC(C)[C@H]([NH3+])C(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000236728341 352292674 /nfs/dbraw/zinc/29/26/74/352292674.db2.gz IEVRLJNWDLKRJC-AAEUAGOBSA-N 2 2 296.415 -0.219 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1CSC[NH2+]1)[NH+]1CCOCC1 ZINC000237442028 352304714 /nfs/dbraw/zinc/30/47/14/352304714.db2.gz HNHSXRJPCSDROJ-ZJUUUORDSA-N 2 2 259.375 -0.514 20 0 CBADLP C[C@@H]([NH3+])C(=O)N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC000237452426 352305224 /nfs/dbraw/zinc/30/52/24/352305224.db2.gz BZWNMEBTXFLXIE-VXGBXAGGSA-N 2 2 282.388 -0.511 20 0 CBADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000237502001 352305903 /nfs/dbraw/zinc/30/59/03/352305903.db2.gz KGZYSXZQMRKWNK-RYUDHWBXSA-N 2 2 294.399 -0.593 20 0 CBADLP C[C@@H]([NH3+])C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000237460102 352306459 /nfs/dbraw/zinc/30/64/59/352306459.db2.gz PNROJUDYZAIMFH-LLVKDONJSA-N 2 2 278.360 -0.938 20 0 CBADLP C[C@H]([C@H](C)NC(=O)[C@H]1COCC[NH2+]1)[NH+]1CCOCC1 ZINC000237531747 352307069 /nfs/dbraw/zinc/30/70/69/352307069.db2.gz IMILQKCQGAAGJD-QJPTWQEYSA-N 2 2 271.361 -0.800 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1COCC[NH2+]1)Cn1cc[nH+]c1 ZINC000237599953 352307941 /nfs/dbraw/zinc/30/79/41/352307941.db2.gz ZCXVICVHCOEVDR-WDEREUQCSA-N 2 2 252.318 -0.376 20 0 CBADLP C[C@@H](NC(=O)C[NH2+]C1CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000237601897 352308629 /nfs/dbraw/zinc/30/86/29/352308629.db2.gz XPVQZOKEZKTKBK-GHMZBOCLSA-N 2 2 255.362 -0.036 20 0 CBADLP [NH3+]CC(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000237955894 352312336 /nfs/dbraw/zinc/31/23/36/352312336.db2.gz TUNCYQAPYWCELL-UHFFFAOYSA-N 2 2 273.340 -0.063 20 0 CBADLP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)[C@H]1CC[NH2+]C1 ZINC000238025371 352312867 /nfs/dbraw/zinc/31/28/67/352312867.db2.gz XQKBMPBGZSVGGX-GXTWGEPZSA-N 2 2 299.440 -0.080 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000238081258 352313751 /nfs/dbraw/zinc/31/37/51/352313751.db2.gz CKHDQNXRLUQVGF-UHFFFAOYSA-N 2 2 294.399 -0.591 20 0 CBADLP CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000245468238 352321373 /nfs/dbraw/zinc/32/13/73/352321373.db2.gz SUYGBJPDGAXQBI-VXGBXAGGSA-N 2 2 255.362 -0.083 20 0 CBADLP CC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000245468238 352321379 /nfs/dbraw/zinc/32/13/79/352321379.db2.gz SUYGBJPDGAXQBI-VXGBXAGGSA-N 2 2 255.362 -0.083 20 0 CBADLP CC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000245468238 352321382 /nfs/dbraw/zinc/32/13/82/352321382.db2.gz SUYGBJPDGAXQBI-VXGBXAGGSA-N 2 2 255.362 -0.083 20 0 CBADLP C[C@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)[C@@H](C)CO1 ZINC000245684936 352323530 /nfs/dbraw/zinc/32/35/30/352323530.db2.gz UXQPJTVKIMQAHB-RYUDHWBXSA-N 2 2 255.362 -0.130 20 0 CBADLP C[C@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)[C@@H](C)CO1 ZINC000245684936 352323535 /nfs/dbraw/zinc/32/35/35/352323535.db2.gz UXQPJTVKIMQAHB-RYUDHWBXSA-N 2 2 255.362 -0.130 20 0 CBADLP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC000245693284 352323835 /nfs/dbraw/zinc/32/38/35/352323835.db2.gz QLBSIMUOBZSIIG-KGLIPLIRSA-N 2 2 280.416 -0.023 20 0 CBADLP C[N@H+]1CCCC[C@@H]1CN1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC000245693284 352323838 /nfs/dbraw/zinc/32/38/38/352323838.db2.gz QLBSIMUOBZSIIG-KGLIPLIRSA-N 2 2 280.416 -0.023 20 0 CBADLP CC[C@@H]1CN(C(=O)[C@H]2COCC[NH2+]2)CC[N@@H+]1CCOC ZINC000246194133 352329424 /nfs/dbraw/zinc/32/94/24/352329424.db2.gz DLBVRLDOCDXZOG-CHWSQXEVSA-N 2 2 285.388 -0.456 20 0 CBADLP CC[C@@H]1CN(C(=O)[C@H]2COCC[NH2+]2)CC[N@H+]1CCOC ZINC000246194133 352329427 /nfs/dbraw/zinc/32/94/27/352329427.db2.gz DLBVRLDOCDXZOG-CHWSQXEVSA-N 2 2 285.388 -0.456 20 0 CBADLP CCOCC[N@@H+]1CCN(C(=O)[C@H]2COCC[NH2+]2)C[C@H]1CC ZINC000246538693 352334634 /nfs/dbraw/zinc/33/46/34/352334634.db2.gz SIOMTXAOGJAIBG-ZIAGYGMSSA-N 2 2 299.415 -0.066 20 0 CBADLP CCOCC[N@H+]1CCN(C(=O)[C@H]2COCC[NH2+]2)C[C@H]1CC ZINC000246538693 352334637 /nfs/dbraw/zinc/33/46/37/352334637.db2.gz SIOMTXAOGJAIBG-ZIAGYGMSSA-N 2 2 299.415 -0.066 20 0 CBADLP C[C@@H]1OCC[C@@H]1[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000246519783 352334672 /nfs/dbraw/zinc/33/46/72/352334672.db2.gz UPAOYBNRTWTVOK-IHRRRGAJSA-N 2 2 297.399 -0.314 20 0 CBADLP C[C@@H]1C(=O)NCC[NH+]1CCCCC[N@@H+]1CCNC(=O)[C@H]1C ZINC000246896374 352339879 /nfs/dbraw/zinc/33/98/79/352339879.db2.gz GVAZMXWUUGVXOS-CHWSQXEVSA-N 2 2 296.415 -0.203 20 0 CBADLP C[C@@H]1C(=O)NCC[NH+]1CCCCC[N@H+]1CCNC(=O)[C@H]1C ZINC000246896374 352339882 /nfs/dbraw/zinc/33/98/82/352339882.db2.gz GVAZMXWUUGVXOS-CHWSQXEVSA-N 2 2 296.415 -0.203 20 0 CBADLP CN(CC[N@H+](C)C1CC1)C[C@@H](O)C[NH+]1CCOCC1 ZINC000248770046 352356447 /nfs/dbraw/zinc/35/64/47/352356447.db2.gz VMZVTDHCYNTWEN-CQSZACIVSA-N 2 2 271.405 -0.295 20 0 CBADLP CN(CC[N@@H+](C)C1CC1)C[C@@H](O)C[NH+]1CCOCC1 ZINC000248770046 352356448 /nfs/dbraw/zinc/35/64/48/352356448.db2.gz VMZVTDHCYNTWEN-CQSZACIVSA-N 2 2 271.405 -0.295 20 0 CBADLP CC[N@H+](CC(=O)N1CC[NH+](CCO)[C@@H](C)C1)C1CC1 ZINC000249501261 352366159 /nfs/dbraw/zinc/36/61/59/352366159.db2.gz IVHSFWICHHFUBK-LBPRGKRZSA-N 2 2 269.389 -0.004 20 0 CBADLP CC[N@@H+](CC(=O)N1CC[NH+](CCO)[C@@H](C)C1)C1CC1 ZINC000249501261 352366161 /nfs/dbraw/zinc/36/61/61/352366161.db2.gz IVHSFWICHHFUBK-LBPRGKRZSA-N 2 2 269.389 -0.004 20 0 CBADLP CC[NH+](CC(=O)N1CC[N@H+](CCO)[C@@H](C)C1)C1CC1 ZINC000249501261 352366165 /nfs/dbraw/zinc/36/61/65/352366165.db2.gz IVHSFWICHHFUBK-LBPRGKRZSA-N 2 2 269.389 -0.004 20 0 CBADLP CC[NH+](CC(=O)N1CC[N@@H+](CCO)[C@@H](C)C1)C1CC1 ZINC000249501261 352366167 /nfs/dbraw/zinc/36/61/67/352366167.db2.gz IVHSFWICHHFUBK-LBPRGKRZSA-N 2 2 269.389 -0.004 20 0 CBADLP C[C@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)[C@@H](C(N)=O)C1 ZINC000249540295 352367459 /nfs/dbraw/zinc/36/74/59/352367459.db2.gz DSYKCAWBELNYND-NWDGAFQWSA-N 2 2 282.388 -0.654 20 0 CBADLP C[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)[C@@H](C(N)=O)C1 ZINC000249540295 352367462 /nfs/dbraw/zinc/36/74/62/352367462.db2.gz DSYKCAWBELNYND-NWDGAFQWSA-N 2 2 282.388 -0.654 20 0 CBADLP O[C@H](CN[C@@H]1CC[N@@H+]2CCCC[C@H]12)C[NH+]1CCOCC1 ZINC000250811446 352374225 /nfs/dbraw/zinc/37/42/25/352374225.db2.gz DLBGKIKGDIVDDM-RBSFLKMASA-N 2 2 283.416 -0.104 20 0 CBADLP O[C@H](CN[C@@H]1CC[N@H+]2CCCC[C@H]12)C[NH+]1CCOCC1 ZINC000250811446 352374227 /nfs/dbraw/zinc/37/42/27/352374227.db2.gz DLBGKIKGDIVDDM-RBSFLKMASA-N 2 2 283.416 -0.104 20 0 CBADLP O[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)CN1CCOCC1 ZINC000250811446 352374228 /nfs/dbraw/zinc/37/42/28/352374228.db2.gz DLBGKIKGDIVDDM-RBSFLKMASA-N 2 2 283.416 -0.104 20 0 CBADLP O[C@H](C[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)CN1CCOCC1 ZINC000250811446 352374229 /nfs/dbraw/zinc/37/42/29/352374229.db2.gz DLBGKIKGDIVDDM-RBSFLKMASA-N 2 2 283.416 -0.104 20 0 CBADLP C[C@H]1C[N@H+](CC(=O)NC(=O)NC2CC2)CC[C@H]1[NH3+] ZINC000251529411 352375364 /nfs/dbraw/zinc/37/53/64/352375364.db2.gz AGSOQUWNIPLLHY-WCBMZHEXSA-N 2 2 254.334 -0.356 20 0 CBADLP C[C@H]1C[N@@H+](CC(=O)NC(=O)NC2CC2)CC[C@H]1[NH3+] ZINC000251529411 352375366 /nfs/dbraw/zinc/37/53/66/352375366.db2.gz AGSOQUWNIPLLHY-WCBMZHEXSA-N 2 2 254.334 -0.356 20 0 CBADLP CC(=O)N1CCN(C(=O)C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)CC1 ZINC000251859054 352375983 /nfs/dbraw/zinc/37/59/83/352375983.db2.gz SGIFFJXTQKZHTH-DGCLKSJQSA-N 2 2 282.388 -0.654 20 0 CBADLP CC(=O)N1CCN(C(=O)C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)CC1 ZINC000251859054 352375987 /nfs/dbraw/zinc/37/59/87/352375987.db2.gz SGIFFJXTQKZHTH-DGCLKSJQSA-N 2 2 282.388 -0.654 20 0 CBADLP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261587415 352389989 /nfs/dbraw/zinc/38/99/89/352389989.db2.gz VAXDSYSBVWCAFX-LPEHRKFASA-N 2 2 254.334 -0.628 20 0 CBADLP CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261587415 352389992 /nfs/dbraw/zinc/38/99/92/352389992.db2.gz VAXDSYSBVWCAFX-LPEHRKFASA-N 2 2 254.334 -0.628 20 0 CBADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261589856 352390002 /nfs/dbraw/zinc/39/00/02/352390002.db2.gz LBDUYNRSGATYNQ-GWCFXTLKSA-N 2 2 268.361 -0.094 20 0 CBADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261589856 352390004 /nfs/dbraw/zinc/39/00/04/352390004.db2.gz LBDUYNRSGATYNQ-GWCFXTLKSA-N 2 2 268.361 -0.094 20 0 CBADLP CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261588085 352390031 /nfs/dbraw/zinc/39/00/31/352390031.db2.gz VLXIAOMBLUTLBY-ZJUUUORDSA-N 2 2 254.334 -0.627 20 0 CBADLP CCNC(=O)NC(=O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261588085 352390033 /nfs/dbraw/zinc/39/00/33/352390033.db2.gz VLXIAOMBLUTLBY-ZJUUUORDSA-N 2 2 254.334 -0.627 20 0 CBADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)[C@@H]1CCC[NH2+]1 ZINC000261603212 352391097 /nfs/dbraw/zinc/39/10/97/352391097.db2.gz AOXHJEVWAGVVCQ-LBPRGKRZSA-N 2 2 293.371 -0.094 20 0 CBADLP CC(C)CNC(=O)C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261622608 352392223 /nfs/dbraw/zinc/39/22/23/352392223.db2.gz UYODBSRUAZJRCR-ZDUSSCGKSA-N 2 2 268.405 -0.262 20 0 CBADLP COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261747109 352394774 /nfs/dbraw/zinc/39/47/74/352394774.db2.gz PVLNIDBKXKDAJA-GXFFZTMASA-N 2 2 286.376 -0.482 20 0 CBADLP COC[C@H](C)NC(=O)NC(=O)C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261747109 352394777 /nfs/dbraw/zinc/39/47/77/352394777.db2.gz PVLNIDBKXKDAJA-GXFFZTMASA-N 2 2 286.376 -0.482 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000261734511 352395205 /nfs/dbraw/zinc/39/52/05/352395205.db2.gz LLBJVFCJEWWJHZ-LBPRGKRZSA-N 2 2 284.404 -0.441 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000261734511 352395210 /nfs/dbraw/zinc/39/52/10/352395210.db2.gz LLBJVFCJEWWJHZ-LBPRGKRZSA-N 2 2 284.404 -0.441 20 0 CBADLP COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261747108 352395752 /nfs/dbraw/zinc/39/57/52/352395752.db2.gz PVLNIDBKXKDAJA-GWCFXTLKSA-N 2 2 286.376 -0.482 20 0 CBADLP COC[C@H](C)NC(=O)NC(=O)C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261747108 352395755 /nfs/dbraw/zinc/39/57/55/352395755.db2.gz PVLNIDBKXKDAJA-GWCFXTLKSA-N 2 2 286.376 -0.482 20 0 CBADLP Cn1c(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc(=O)n(C)c1=O ZINC000261836810 352397280 /nfs/dbraw/zinc/39/72/80/352397280.db2.gz VEIHLIUJUFWNQH-CQSZACIVSA-N 2 2 278.356 -0.731 20 0 CBADLP Cn1c(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc(=O)n(C)c1=O ZINC000261836810 352397284 /nfs/dbraw/zinc/39/72/84/352397284.db2.gz VEIHLIUJUFWNQH-CQSZACIVSA-N 2 2 278.356 -0.731 20 0 CBADLP C[C@@H]([NH3+])C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000261818501 352397824 /nfs/dbraw/zinc/39/78/24/352397824.db2.gz MJKDLHIVFIJECA-GFCCVEGCSA-N 2 2 282.388 -0.510 20 0 CBADLP C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261805486 352397908 /nfs/dbraw/zinc/39/79/08/352397908.db2.gz OJHWQLWIRLSSML-NHYWBVRUSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261805486 352397910 /nfs/dbraw/zinc/39/79/10/352397910.db2.gz OJHWQLWIRLSSML-NHYWBVRUSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@@H]1CN(C(=O)C2C[NH2+]C2)C[C@@H]1[NH+]1CCOCC1 ZINC000262240989 352412087 /nfs/dbraw/zinc/41/20/87/352412087.db2.gz NYMRFWYIOWEVFC-PWSUYJOCSA-N 2 2 253.346 -0.615 20 0 CBADLP C[C@@H]1CN(C(=O)C2C[NH2+]C2)C[C@H]1[NH+]1CCOCC1 ZINC000262240990 352412573 /nfs/dbraw/zinc/41/25/73/352412573.db2.gz NYMRFWYIOWEVFC-ZYHUDNBSSA-N 2 2 253.346 -0.615 20 0 CBADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)C2C[NH2+]C2)CC1 ZINC000262286108 352414213 /nfs/dbraw/zinc/41/42/13/352414213.db2.gz WSQCONSNXNFMQS-SNVBAGLBSA-N 2 2 280.372 -0.983 20 0 CBADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000262330307 352416420 /nfs/dbraw/zinc/41/64/20/352416420.db2.gz SEYZHIZXQYGXSZ-OCCSQVGLSA-N 2 2 297.399 -0.314 20 0 CBADLP C[C@H](C[NH3+])C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000262435747 352421119 /nfs/dbraw/zinc/42/11/19/352421119.db2.gz UJMXKIDGSHVULL-NEPJUHHUSA-N 2 2 255.362 -0.096 20 0 CBADLP COCC[NH+]1CCN(C(=O)C[C@H]2COCC[NH2+]2)CC1 ZINC000262565794 352426434 /nfs/dbraw/zinc/42/64/34/352426434.db2.gz RQAQZGDYGBDTHI-LBPRGKRZSA-N 2 2 271.361 -0.845 20 0 CBADLP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C[C@H]1C ZINC000263299118 352442140 /nfs/dbraw/zinc/44/21/40/352442140.db2.gz WVCKVUXVNXCPRM-VWYCJHECSA-N 2 2 291.342 -0.103 20 0 CBADLP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C[C@H]1C ZINC000263299118 352442142 /nfs/dbraw/zinc/44/21/42/352442142.db2.gz WVCKVUXVNXCPRM-VWYCJHECSA-N 2 2 291.342 -0.103 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1CSC[NH2+]1)C[NH+]1CCN(C)CC1 ZINC000262665917 352430668 /nfs/dbraw/zinc/43/06/68/352430668.db2.gz NJFVAKYKDCHSDE-NEPJUHHUSA-N 2 2 286.445 -0.351 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1CSC[NH2+]1)CN1CC[NH+](C)CC1 ZINC000262665917 352430671 /nfs/dbraw/zinc/43/06/71/352430671.db2.gz NJFVAKYKDCHSDE-NEPJUHHUSA-N 2 2 286.445 -0.351 20 0 CBADLP C[C@@H]1CN(C(=O)C2([NH3+])CC2)C[C@H]1[NH+]1CCOCC1 ZINC000262696726 352431529 /nfs/dbraw/zinc/43/15/29/352431529.db2.gz FEVFXAHHPUIBMS-GHMZBOCLSA-N 2 2 253.346 -0.343 20 0 CBADLP CO[C@H](C[NH3+])CC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000262936851 352436420 /nfs/dbraw/zinc/43/64/20/352436420.db2.gz TZWPRQJSQZBPBS-STQMWFEESA-N 2 2 285.388 -0.327 20 0 CBADLP Cn1nncc1C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000261940781 352402372 /nfs/dbraw/zinc/40/23/72/352402372.db2.gz DPSZIVPPPRSGJS-NSHDSACASA-N 2 2 280.376 -0.365 20 0 CBADLP Cn1nncc1C[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000261940781 352402377 /nfs/dbraw/zinc/40/23/77/352402377.db2.gz DPSZIVPPPRSGJS-NSHDSACASA-N 2 2 280.376 -0.365 20 0 CBADLP C[C@]1(C[N@@H+]2CCC[C@H](S(N)(=O)=O)C2)CC[NH2+]C1 ZINC000261992911 352403558 /nfs/dbraw/zinc/40/35/58/352403558.db2.gz KLPSPZATKRVDRF-QWRGUYRKSA-N 2 2 261.391 -0.261 20 0 CBADLP C[C@]1(C[N@H+]2CCC[C@H](S(N)(=O)=O)C2)CC[NH2+]C1 ZINC000261992911 352403562 /nfs/dbraw/zinc/40/35/62/352403562.db2.gz KLPSPZATKRVDRF-QWRGUYRKSA-N 2 2 261.391 -0.261 20 0 CBADLP C[C@@H]1CN(C(=O)C[C@@H]2COCC[NH2+]2)C[C@H]1[NH+]1CCOCC1 ZINC000262024135 352404051 /nfs/dbraw/zinc/40/40/51/352404051.db2.gz ATAZPXYFZMGKLF-MGPQQGTHSA-N 2 2 297.399 -0.456 20 0 CBADLP CC[C@H]([NH3+])C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000269274997 352465054 /nfs/dbraw/zinc/46/50/54/352465054.db2.gz WCSLGKPVICKKEM-LBPRGKRZSA-N 2 2 281.360 -0.109 20 0 CBADLP Cn1cc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)c(=O)n(C)c1=O ZINC000272590899 352520611 /nfs/dbraw/zinc/52/06/11/352520611.db2.gz HULONNBAUQMOKG-AAEUAGOBSA-N 2 2 292.383 -0.390 20 0 CBADLP Cn1cc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)c(=O)n(C)c1=O ZINC000272590899 352520615 /nfs/dbraw/zinc/52/06/15/352520615.db2.gz HULONNBAUQMOKG-AAEUAGOBSA-N 2 2 292.383 -0.390 20 0 CBADLP Cn1cc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@@H]32)c(=O)n(C)c1=O ZINC000272590899 352520617 /nfs/dbraw/zinc/52/06/17/352520617.db2.gz HULONNBAUQMOKG-AAEUAGOBSA-N 2 2 292.383 -0.390 20 0 CBADLP Cn1cc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)c(=O)n(C)c1=O ZINC000272590899 352520619 /nfs/dbraw/zinc/52/06/19/352520619.db2.gz HULONNBAUQMOKG-AAEUAGOBSA-N 2 2 292.383 -0.390 20 0 CBADLP C[NH+](C)CC(=O)N1CC[NH+](Cc2ccnc(N)c2)CC1 ZINC000278316580 352578644 /nfs/dbraw/zinc/57/86/44/352578644.db2.gz BWJZIKXLIKSOAZ-UHFFFAOYSA-N 2 2 277.372 -0.130 20 0 CBADLP CC[N@@H+]1CCCN(C(=O)C(=O)NCc2[nH+]ccn2C)CC1 ZINC000286947448 352651905 /nfs/dbraw/zinc/65/19/05/352651905.db2.gz RNEANFIITHVDSM-UHFFFAOYSA-N 2 2 293.371 -0.410 20 0 CBADLP CC[N@H+]1CCCN(C(=O)C(=O)NCc2[nH+]ccn2C)CC1 ZINC000286947448 352651907 /nfs/dbraw/zinc/65/19/07/352651907.db2.gz RNEANFIITHVDSM-UHFFFAOYSA-N 2 2 293.371 -0.410 20 0 CBADLP C[C@@H](O)C[NH+]1CCN(C(=O)NCCn2cc[nH+]c2)CC1 ZINC000287209891 352653507 /nfs/dbraw/zinc/65/35/07/352653507.db2.gz QZAKMGPDGQRDAK-GFCCVEGCSA-N 2 2 281.360 -0.409 20 0 CBADLP C[C@H](O)C[NH+]1CCN(C(=O)NCCn2cc[nH+]c2)CC1 ZINC000287209894 352653540 /nfs/dbraw/zinc/65/35/40/352653540.db2.gz QZAKMGPDGQRDAK-LBPRGKRZSA-N 2 2 281.360 -0.409 20 0 CBADLP Cc1[nH+]ccn1CCNC(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000287479557 352656685 /nfs/dbraw/zinc/65/66/85/352656685.db2.gz WZLAANLEBBIIFJ-GFCCVEGCSA-N 2 2 295.387 -0.100 20 0 CBADLP Cn1cc[nH+]c1CNC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000287665172 352658809 /nfs/dbraw/zinc/65/88/09/352658809.db2.gz HIWHDULNXYXSND-UHFFFAOYSA-N 2 2 293.371 -0.363 20 0 CBADLP C[C@H](CNC(=O)C(=O)NCc1[nH+]ccn1C)[N@H+](C)C1CC1 ZINC000287695998 352659537 /nfs/dbraw/zinc/65/95/37/352659537.db2.gz DVOOJHJWXCXLAP-SNVBAGLBSA-N 2 2 293.371 -0.365 20 0 CBADLP C[C@H](CNC(=O)C(=O)NCc1[nH+]ccn1C)[N@@H+](C)C1CC1 ZINC000287695998 352659540 /nfs/dbraw/zinc/65/95/40/352659540.db2.gz DVOOJHJWXCXLAP-SNVBAGLBSA-N 2 2 293.371 -0.365 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000284037811 352634108 /nfs/dbraw/zinc/63/41/08/352634108.db2.gz SCOMTPAFOOGFTJ-NSHDSACASA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000284037811 352634112 /nfs/dbraw/zinc/63/41/12/352634112.db2.gz SCOMTPAFOOGFTJ-NSHDSACASA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@H](O)CNc1cc(N2CC[NH+](CCO)CC2)nc[nH+]1 ZINC000294260087 352703771 /nfs/dbraw/zinc/70/37/71/352703771.db2.gz FKSNKARUTMFZEF-NSHDSACASA-N 2 2 281.360 -0.616 20 0 CBADLP CC[C@@H](C)[N@H+](C)CCNC[C@H](O)C[NH+]1CCOCC1 ZINC000300669370 352734814 /nfs/dbraw/zinc/73/48/14/352734814.db2.gz WOZNXNXRUIDHPS-KGLIPLIRSA-N 2 2 273.421 -0.001 20 0 CBADLP CC[C@@H](C)[N@@H+](C)CCNC[C@H](O)C[NH+]1CCOCC1 ZINC000300669370 352734818 /nfs/dbraw/zinc/73/48/18/352734818.db2.gz WOZNXNXRUIDHPS-KGLIPLIRSA-N 2 2 273.421 -0.001 20 0 CBADLP C[N@@H+]1CCC[C@@H]1CNC[C@H](O)C[NH+]1CCOCC1 ZINC000300691086 352734976 /nfs/dbraw/zinc/73/49/76/352734976.db2.gz PLPLUFQQZBRNAC-OLZOCXBDSA-N 2 2 257.378 -0.637 20 0 CBADLP C[N@H+]1CCC[C@@H]1CNC[C@H](O)C[NH+]1CCOCC1 ZINC000300691086 352734978 /nfs/dbraw/zinc/73/49/78/352734978.db2.gz PLPLUFQQZBRNAC-OLZOCXBDSA-N 2 2 257.378 -0.637 20 0 CBADLP C[C@H](C(=O)N1CC[NH+](C)CC1)N1CC[NH+](C)CC1 ZINC000302816404 352743078 /nfs/dbraw/zinc/74/30/78/352743078.db2.gz VXXOFXBKRNQVIY-GFCCVEGCSA-N 2 2 254.378 -0.604 20 0 CBADLP C[C@H]1CCC[N@H+](CC(=O)N2CC[NH+](C)CC2)[C@H]1CO ZINC000305768051 352750779 /nfs/dbraw/zinc/75/07/79/352750779.db2.gz UFADVOYWGKAYEQ-STQMWFEESA-N 2 2 269.389 -0.147 20 0 CBADLP C[C@H]1CCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)[C@H]1CO ZINC000305768051 352750785 /nfs/dbraw/zinc/75/07/85/352750785.db2.gz UFADVOYWGKAYEQ-STQMWFEESA-N 2 2 269.389 -0.147 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)[C@H](C(=O)OC)C1 ZINC000312686852 352776160 /nfs/dbraw/zinc/77/61/60/352776160.db2.gz DQKZLYLJEDVOSF-FRRDWIJNSA-N 2 2 288.388 -0.334 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)[C@H](C(=O)OC)C1 ZINC000312686852 352776162 /nfs/dbraw/zinc/77/61/62/352776162.db2.gz DQKZLYLJEDVOSF-FRRDWIJNSA-N 2 2 288.388 -0.334 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](C(=O)OC)C1 ZINC000312686852 352776164 /nfs/dbraw/zinc/77/61/64/352776164.db2.gz DQKZLYLJEDVOSF-FRRDWIJNSA-N 2 2 288.388 -0.334 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](C)[C@H](C(=O)OC)C1 ZINC000312686852 352776166 /nfs/dbraw/zinc/77/61/66/352776166.db2.gz DQKZLYLJEDVOSF-FRRDWIJNSA-N 2 2 288.388 -0.334 20 0 CBADLP C[N@H+](C[C@H](O)C[NH2+]CCCS(C)(=O)=O)C1CC1 ZINC000310258802 352757699 /nfs/dbraw/zinc/75/76/99/352757699.db2.gz LOBDOYRNUKYQQC-LLVKDONJSA-N 2 2 264.391 -0.534 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH2+]CCCS(C)(=O)=O)C1CC1 ZINC000310258802 352757702 /nfs/dbraw/zinc/75/77/02/352757702.db2.gz LOBDOYRNUKYQQC-LLVKDONJSA-N 2 2 264.391 -0.534 20 0 CBADLP CN(C)S(=O)(=O)CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000310341425 352758797 /nfs/dbraw/zinc/75/87/97/352758797.db2.gz OBZXDPFBXPSQFZ-MNOVXSKESA-N 2 2 261.391 -0.438 20 0 CBADLP CN(C)S(=O)(=O)CC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000310341425 352758800 /nfs/dbraw/zinc/75/88/00/352758800.db2.gz OBZXDPFBXPSQFZ-MNOVXSKESA-N 2 2 261.391 -0.438 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@](C)(O)C1 ZINC000310875490 352762635 /nfs/dbraw/zinc/76/26/35/352762635.db2.gz MRQJOSVDOBMDFE-QWHCGFSZSA-N 2 2 260.378 -0.228 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@](C)(O)C1 ZINC000310875490 352762638 /nfs/dbraw/zinc/76/26/38/352762638.db2.gz MRQJOSVDOBMDFE-QWHCGFSZSA-N 2 2 260.378 -0.228 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@](C)(O)C1 ZINC000310875490 352762640 /nfs/dbraw/zinc/76/26/40/352762640.db2.gz MRQJOSVDOBMDFE-QWHCGFSZSA-N 2 2 260.378 -0.228 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@](C)(O)C1 ZINC000310875490 352762642 /nfs/dbraw/zinc/76/26/42/352762642.db2.gz MRQJOSVDOBMDFE-QWHCGFSZSA-N 2 2 260.378 -0.228 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@](C)(O)C1 ZINC000310875492 352762760 /nfs/dbraw/zinc/76/27/60/352762760.db2.gz MRQJOSVDOBMDFE-STQMWFEESA-N 2 2 260.378 -0.228 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@](C)(O)C1 ZINC000310875492 352762762 /nfs/dbraw/zinc/76/27/62/352762762.db2.gz MRQJOSVDOBMDFE-STQMWFEESA-N 2 2 260.378 -0.228 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@](C)(O)C1 ZINC000310875492 352762766 /nfs/dbraw/zinc/76/27/66/352762766.db2.gz MRQJOSVDOBMDFE-STQMWFEESA-N 2 2 260.378 -0.228 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@](C)(O)C1 ZINC000310875492 352762768 /nfs/dbraw/zinc/76/27/68/352762768.db2.gz MRQJOSVDOBMDFE-STQMWFEESA-N 2 2 260.378 -0.228 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](O)[C@@H](C)C1 ZINC000310962352 352764050 /nfs/dbraw/zinc/76/40/50/352764050.db2.gz ATNSDBOUESXBNK-RWMBFGLXSA-N 2 2 260.378 -0.372 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](O)[C@@H](C)C1 ZINC000310962352 352764053 /nfs/dbraw/zinc/76/40/53/352764053.db2.gz ATNSDBOUESXBNK-RWMBFGLXSA-N 2 2 260.378 -0.372 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](O)[C@@H](C)C1 ZINC000310962352 352764055 /nfs/dbraw/zinc/76/40/55/352764055.db2.gz ATNSDBOUESXBNK-RWMBFGLXSA-N 2 2 260.378 -0.372 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](O)[C@@H](C)C1 ZINC000310962352 352764059 /nfs/dbraw/zinc/76/40/59/352764059.db2.gz ATNSDBOUESXBNK-RWMBFGLXSA-N 2 2 260.378 -0.372 20 0 CBADLP CO[C@@H]1C[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C[C@H]1OC ZINC000311052828 352764916 /nfs/dbraw/zinc/76/49/16/352764916.db2.gz ILYRPERWAZCTIH-YNEHKIRRSA-N 2 2 258.362 -0.213 20 0 CBADLP CO[C@@H]1C[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C[C@H]1OC ZINC000311052811 352765205 /nfs/dbraw/zinc/76/52/05/352765205.db2.gz ILYRPERWAZCTIH-JHJVBQTASA-N 2 2 258.362 -0.213 20 0 CBADLP CC[N@@H+]1CCN(C[C@H](O)C[NH+]2CCOCC2)C[C@H]1C ZINC000311250782 352766693 /nfs/dbraw/zinc/76/66/93/352766693.db2.gz IDRHGELYALNHRI-ZIAGYGMSSA-N 2 2 271.405 -0.295 20 0 CBADLP CC[N@H+]1CCN(C[C@H](O)C[NH+]2CCOCC2)C[C@H]1C ZINC000311250782 352766694 /nfs/dbraw/zinc/76/66/94/352766694.db2.gz IDRHGELYALNHRI-ZIAGYGMSSA-N 2 2 271.405 -0.295 20 0 CBADLP NS(=O)(=O)C[C@@H]1CCC[N@@H+]1CCn1cc[nH+]c1 ZINC000330363990 352813540 /nfs/dbraw/zinc/81/35/40/352813540.db2.gz BLICFYVWLCXIQC-JTQLQIEISA-N 2 2 258.347 -0.364 20 0 CBADLP NS(=O)(=O)C[C@@H]1CCC[N@H+]1CCn1cc[nH+]c1 ZINC000330363990 352813542 /nfs/dbraw/zinc/81/35/42/352813542.db2.gz BLICFYVWLCXIQC-JTQLQIEISA-N 2 2 258.347 -0.364 20 0 CBADLP C[N@@H+]1CCO[C@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]21 ZINC000329974561 352801284 /nfs/dbraw/zinc/80/12/84/352801284.db2.gz DDUDNDGPJWLICI-NEPJUHHUSA-N 2 2 264.329 -0.185 20 0 CBADLP C[N@H+]1CCO[C@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]21 ZINC000329974561 352801287 /nfs/dbraw/zinc/80/12/87/352801287.db2.gz DDUDNDGPJWLICI-NEPJUHHUSA-N 2 2 264.329 -0.185 20 0 CBADLP C[N@@H+]1CCO[C@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@@H]21 ZINC000329974565 352801396 /nfs/dbraw/zinc/80/13/96/352801396.db2.gz DDUDNDGPJWLICI-RYUDHWBXSA-N 2 2 264.329 -0.185 20 0 CBADLP C[N@H+]1CCO[C@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@@H]21 ZINC000329974565 352801398 /nfs/dbraw/zinc/80/13/98/352801398.db2.gz DDUDNDGPJWLICI-RYUDHWBXSA-N 2 2 264.329 -0.185 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000330571900 352850119 /nfs/dbraw/zinc/85/01/19/352850119.db2.gz MYUWFQQXNHSDEI-CHWSQXEVSA-N 2 2 285.388 -0.599 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000330571900 352850124 /nfs/dbraw/zinc/85/01/24/352850124.db2.gz MYUWFQQXNHSDEI-CHWSQXEVSA-N 2 2 285.388 -0.599 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)NCC[NH+]2CCOC[C@@H]2C)[N@H+](C)C1 ZINC000330553896 352846819 /nfs/dbraw/zinc/84/68/19/352846819.db2.gz ULZRXIUYRBWOHO-AVGNSLFASA-N 2 2 285.388 -0.458 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)NCC[NH+]2CCOC[C@@H]2C)[N@@H+](C)C1 ZINC000330553896 352846823 /nfs/dbraw/zinc/84/68/23/352846823.db2.gz ULZRXIUYRBWOHO-AVGNSLFASA-N 2 2 285.388 -0.458 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)NCC[N@@H+]2CCOC[C@@H]2C)[NH+](C)C1 ZINC000330553896 352846826 /nfs/dbraw/zinc/84/68/26/352846826.db2.gz ULZRXIUYRBWOHO-AVGNSLFASA-N 2 2 285.388 -0.458 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)NCC[N@H+]2CCOC[C@@H]2C)[NH+](C)C1 ZINC000330553896 352846828 /nfs/dbraw/zinc/84/68/28/352846828.db2.gz ULZRXIUYRBWOHO-AVGNSLFASA-N 2 2 285.388 -0.458 20 0 CBADLP CC[N@H+](CC(=O)NC1CC[NH+](CC)CC1)[C@@H]1CCNC1=O ZINC000331283397 352900769 /nfs/dbraw/zinc/90/07/69/352900769.db2.gz GSWHQKHJQPYVHL-CYBMUJFWSA-N 2 2 296.415 -0.203 20 0 CBADLP CC[N@@H+](CC(=O)NC1CC[NH+](CC)CC1)[C@@H]1CCNC1=O ZINC000331283397 352900773 /nfs/dbraw/zinc/90/07/73/352900773.db2.gz GSWHQKHJQPYVHL-CYBMUJFWSA-N 2 2 296.415 -0.203 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000332628247 352970793 /nfs/dbraw/zinc/97/07/93/352970793.db2.gz YJCBOFSMDQSISR-ZIAGYGMSSA-N 2 2 299.415 -0.208 20 0 CBADLP CCN1C[C@H]([NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)CC1=O ZINC000333551754 353003160 /nfs/dbraw/zinc/00/31/60/353003160.db2.gz MQOWTPLLOAQDGI-TUAOUCFPSA-N 2 2 255.362 -0.036 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000333737732 353009367 /nfs/dbraw/zinc/00/93/67/353009367.db2.gz XDQUZWDYEOEIMR-LBPRGKRZSA-N 2 2 270.377 -0.288 20 0 CBADLP [NH3+][C@@H]1CCCN(C(=O)NCC2([NH+]3CCOCC3)CC2)C1 ZINC000333809021 353010791 /nfs/dbraw/zinc/01/07/91/353010791.db2.gz PHFJJTSFOBGJCV-GFCCVEGCSA-N 2 2 282.388 -0.016 20 0 CBADLP C[C@@H]1CN(C(=O)NCC2([NH+]3CCOCC3)CC2)CC[NH2+]1 ZINC000333860250 353012593 /nfs/dbraw/zinc/01/25/93/353012593.db2.gz ZDJMXEMHHYYREI-GFCCVEGCSA-N 2 2 282.388 -0.146 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000333858661 353012885 /nfs/dbraw/zinc/01/28/85/353012885.db2.gz YWMXMYIVLDGCJT-UPJWGTAASA-N 2 2 282.388 -0.290 20 0 CBADLP C[N@H+](C[C@H](O)CN1C[C@@H]2OCC[NH+](C)[C@H]2C1)C1CC1 ZINC000336809523 353058247 /nfs/dbraw/zinc/05/82/47/353058247.db2.gz FSLCDAPPNKCHSX-IHRRRGAJSA-N 2 2 269.389 -0.544 20 0 CBADLP C[N@@H+](C[C@H](O)CN1C[C@@H]2OCC[NH+](C)[C@H]2C1)C1CC1 ZINC000336809523 353058251 /nfs/dbraw/zinc/05/82/51/353058251.db2.gz FSLCDAPPNKCHSX-IHRRRGAJSA-N 2 2 269.389 -0.544 20 0 CBADLP C[NH+](C[C@H](O)CN1C[C@@H]2OCC[N@H+](C)[C@H]2C1)C1CC1 ZINC000336809523 353058253 /nfs/dbraw/zinc/05/82/53/353058253.db2.gz FSLCDAPPNKCHSX-IHRRRGAJSA-N 2 2 269.389 -0.544 20 0 CBADLP C[NH+](C[C@H](O)CN1C[C@@H]2OCC[N@@H+](C)[C@H]2C1)C1CC1 ZINC000336809523 353058257 /nfs/dbraw/zinc/05/82/57/353058257.db2.gz FSLCDAPPNKCHSX-IHRRRGAJSA-N 2 2 269.389 -0.544 20 0 CBADLP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@@H]1CS(N)(=O)=O)C1CC1 ZINC000336811062 353058305 /nfs/dbraw/zinc/05/83/05/353058305.db2.gz KXSGPHVWMPOUCH-VXGBXAGGSA-N 2 2 291.417 -0.806 20 0 CBADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@@H]1CS(N)(=O)=O)C1CC1 ZINC000336811062 353058309 /nfs/dbraw/zinc/05/83/09/353058309.db2.gz KXSGPHVWMPOUCH-VXGBXAGGSA-N 2 2 291.417 -0.806 20 0 CBADLP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@@H]1CS(N)(=O)=O)C1CC1 ZINC000336811062 353058311 /nfs/dbraw/zinc/05/83/11/353058311.db2.gz KXSGPHVWMPOUCH-VXGBXAGGSA-N 2 2 291.417 -0.806 20 0 CBADLP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@@H]1CS(N)(=O)=O)C1CC1 ZINC000336811062 353058314 /nfs/dbraw/zinc/05/83/14/353058314.db2.gz KXSGPHVWMPOUCH-VXGBXAGGSA-N 2 2 291.417 -0.806 20 0 CBADLP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@H](OCCO)C1)C1CC1 ZINC000336819420 353060478 /nfs/dbraw/zinc/06/04/78/353060478.db2.gz ZREUXODDGBJYSY-KGLIPLIRSA-N 2 2 272.389 -0.085 20 0 CBADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@H](OCCO)C1)C1CC1 ZINC000336819420 353060479 /nfs/dbraw/zinc/06/04/79/353060479.db2.gz ZREUXODDGBJYSY-KGLIPLIRSA-N 2 2 272.389 -0.085 20 0 CBADLP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@H](OCCO)C1)C1CC1 ZINC000336819420 353060481 /nfs/dbraw/zinc/06/04/81/353060481.db2.gz ZREUXODDGBJYSY-KGLIPLIRSA-N 2 2 272.389 -0.085 20 0 CBADLP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@H](OCCO)C1)C1CC1 ZINC000336819420 353060484 /nfs/dbraw/zinc/06/04/84/353060484.db2.gz ZREUXODDGBJYSY-KGLIPLIRSA-N 2 2 272.389 -0.085 20 0 CBADLP C[N@H+](C[C@H](O)CN1CCN(Cc2[nH]cc[nH+]2)CC1)C1CC1 ZINC000336846547 353063811 /nfs/dbraw/zinc/06/38/11/353063811.db2.gz AWAAOMWAVNMSBW-AWEZNQCLSA-N 2 2 293.415 -0.018 20 0 CBADLP C[N@@H+](C[C@H](O)CN1CCN(Cc2[nH]cc[nH+]2)CC1)C1CC1 ZINC000336846547 353063813 /nfs/dbraw/zinc/06/38/13/353063813.db2.gz AWAAOMWAVNMSBW-AWEZNQCLSA-N 2 2 293.415 -0.018 20 0 CBADLP C[NH+](C)C[C@@H]1CC[N@H+](CCN2CCCS2(=O)=O)C1 ZINC000336694210 353046831 /nfs/dbraw/zinc/04/68/31/353046831.db2.gz DLTWUESCBHWXGI-LBPRGKRZSA-N 2 2 275.418 -0.095 20 0 CBADLP C[NH+](C)C[C@@H]1CC[N@@H+](CCN2CCCS2(=O)=O)C1 ZINC000336694210 353046834 /nfs/dbraw/zinc/04/68/34/353046834.db2.gz DLTWUESCBHWXGI-LBPRGKRZSA-N 2 2 275.418 -0.095 20 0 CBADLP C[NH+](C)C[C@@H]1CN(CC[NH+]2CCOCC2)CCO1 ZINC000336723425 353049627 /nfs/dbraw/zinc/04/96/27/353049627.db2.gz ZGQAIUIYGNVCIJ-CYBMUJFWSA-N 2 2 257.378 -0.419 20 0 CBADLP O=C1NCC[C@H]1[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000336736598 353050560 /nfs/dbraw/zinc/05/05/60/353050560.db2.gz YTKUBUCHRNZFEX-NWDGAFQWSA-N 2 2 253.346 -0.471 20 0 CBADLP O=C1NCC[C@H]1[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000336736598 353050562 /nfs/dbraw/zinc/05/05/62/353050562.db2.gz YTKUBUCHRNZFEX-NWDGAFQWSA-N 2 2 253.346 -0.471 20 0 CBADLP C[C@@H]1C[C@@H](C)CN(C(=O)C[N@H+](C)C[C@@H](O)C[NH3+])C1 ZINC000336795402 353054171 /nfs/dbraw/zinc/05/41/71/353054171.db2.gz KHDYJFBXOXHYRO-UTUOFQBUSA-N 2 2 257.378 -0.258 20 0 CBADLP C[C@@H]1C[C@@H](C)CN(C(=O)C[N@@H+](C)C[C@@H](O)C[NH3+])C1 ZINC000336795402 353054174 /nfs/dbraw/zinc/05/41/74/353054174.db2.gz KHDYJFBXOXHYRO-UTUOFQBUSA-N 2 2 257.378 -0.258 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](O)C2(C)C)CC1 ZINC000336796090 353054309 /nfs/dbraw/zinc/05/43/09/353054309.db2.gz PJBAVHOLDHICHT-NSHDSACASA-N 2 2 255.362 -0.394 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](O)C2(C)C)CC1 ZINC000336796090 353054310 /nfs/dbraw/zinc/05/43/10/353054310.db2.gz PJBAVHOLDHICHT-NSHDSACASA-N 2 2 255.362 -0.394 20 0 CBADLP NS(=O)(=O)CCC[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000336801186 353054867 /nfs/dbraw/zinc/05/48/67/353054867.db2.gz PEHMTLOERSGDJC-UHFFFAOYSA-N 2 2 287.389 -0.794 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)CCOCCO)CC1 ZINC000337430852 353082075 /nfs/dbraw/zinc/08/20/75/353082075.db2.gz FVLGPISHIQSYHR-CYBMUJFWSA-N 2 2 287.404 -0.520 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)CCOCCO)CC1 ZINC000337430852 353082079 /nfs/dbraw/zinc/08/20/79/353082079.db2.gz FVLGPISHIQSYHR-CYBMUJFWSA-N 2 2 287.404 -0.520 20 0 CBADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338172805 353087627 /nfs/dbraw/zinc/08/76/27/353087627.db2.gz JXJKHKXSHUFXOB-ZDUSSCGKSA-N 2 2 298.431 -0.541 20 0 CBADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338172805 353087630 /nfs/dbraw/zinc/08/76/30/353087630.db2.gz JXJKHKXSHUFXOB-ZDUSSCGKSA-N 2 2 298.431 -0.541 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000338231654 353090103 /nfs/dbraw/zinc/09/01/03/353090103.db2.gz CJDJTCFCWUSOTC-UHFFFAOYSA-N 2 2 284.404 -0.393 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000338231654 353090105 /nfs/dbraw/zinc/09/01/05/353090105.db2.gz CJDJTCFCWUSOTC-UHFFFAOYSA-N 2 2 284.404 -0.393 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCN3C(=O)CC[C@@H]3C2)CC1 ZINC000338287854 353093686 /nfs/dbraw/zinc/09/36/86/353093686.db2.gz WWMNTWHBBKQXAA-CYBMUJFWSA-N 2 2 294.399 -0.543 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCN3C(=O)CC[C@@H]3C2)CC1 ZINC000338287854 353093689 /nfs/dbraw/zinc/09/36/89/353093689.db2.gz WWMNTWHBBKQXAA-CYBMUJFWSA-N 2 2 294.399 -0.543 20 0 CBADLP C[NH+](C)CC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000338388338 353100331 /nfs/dbraw/zinc/10/03/31/353100331.db2.gz UQXWASAIUXUUFF-LBPRGKRZSA-N 2 2 255.362 -0.129 20 0 CBADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)[C@H]2CCNC2=O)CC1 ZINC000340220990 353158435 /nfs/dbraw/zinc/15/84/35/353158435.db2.gz GKPKTVUGASJEOU-ZDUSSCGKSA-N 2 2 296.415 -0.204 20 0 CBADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H]2CCNC2=O)CC1 ZINC000340220990 353158437 /nfs/dbraw/zinc/15/84/37/353158437.db2.gz GKPKTVUGASJEOU-ZDUSSCGKSA-N 2 2 296.415 -0.204 20 0 CBADLP C[C@H](CO)CNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000340248713 353159826 /nfs/dbraw/zinc/15/98/26/353159826.db2.gz IMFKFGOJSGORKH-LBPRGKRZSA-N 2 2 286.420 -0.060 20 0 CBADLP CNC(=O)CNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000340255315 353160511 /nfs/dbraw/zinc/16/05/11/353160511.db2.gz VSCHALIDHAPODD-UHFFFAOYSA-N 2 2 285.392 -0.942 20 0 CBADLP CC[NH+](CC)CC(=O)N1CC[NH+]([C@@H]2COC[C@H]2O)CC1 ZINC000340286727 353162211 /nfs/dbraw/zinc/16/22/11/353162211.db2.gz UMEAIYRYZAINAP-CHWSQXEVSA-N 2 2 285.388 -0.768 20 0 CBADLP C[N@H+](CCN1C(=O)CCC1=O)C1CC[NH+](CCO)CC1 ZINC000340842683 353189346 /nfs/dbraw/zinc/18/93/46/353189346.db2.gz IGEAUHSNDBYUMW-UHFFFAOYSA-N 2 2 283.372 -0.476 20 0 CBADLP C[N@@H+](CCN1C(=O)CCC1=O)C1CC[NH+](CCO)CC1 ZINC000340842683 353189348 /nfs/dbraw/zinc/18/93/48/353189348.db2.gz IGEAUHSNDBYUMW-UHFFFAOYSA-N 2 2 283.372 -0.476 20 0 CBADLP C[C@@H]1C[C@H](O)C[N@@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000340927821 353193468 /nfs/dbraw/zinc/19/34/68/353193468.db2.gz PZQZHJQYSJHMGC-OLZOCXBDSA-N 2 2 299.415 -0.332 20 0 CBADLP C[C@@H]1C[C@H](O)C[N@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000340927821 353193471 /nfs/dbraw/zinc/19/34/71/353193471.db2.gz PZQZHJQYSJHMGC-OLZOCXBDSA-N 2 2 299.415 -0.332 20 0 CBADLP COC(=O)CC[C@@H]([NH3+])C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000342765389 353232132 /nfs/dbraw/zinc/23/21/32/353232132.db2.gz NRYZRXDHCHFYPG-WDEREUQCSA-N 2 2 287.360 -0.896 20 0 CBADLP Cc1nc(N2CCC([NH2+]CCO)CC2)nc(N(C)C)[nH+]1 ZINC000342247439 353220966 /nfs/dbraw/zinc/22/09/66/353220966.db2.gz KTLYNTVKBCYSEC-UHFFFAOYSA-N 2 2 280.376 -0.203 20 0 CBADLP Cc1nc(N(C)C)nc(N2CCC([NH2+]CCO)CC2)[nH+]1 ZINC000342247439 353220971 /nfs/dbraw/zinc/22/09/71/353220971.db2.gz KTLYNTVKBCYSEC-UHFFFAOYSA-N 2 2 280.376 -0.203 20 0 CBADLP CC[N@H+](CCNC(=O)C(=O)NCc1[nH+]ccn1C)C(C)C ZINC000342967440 353244060 /nfs/dbraw/zinc/24/40/60/353244060.db2.gz WANYKBDEAVEQGG-UHFFFAOYSA-N 2 2 295.387 -0.117 20 0 CBADLP CC[N@@H+](CCNC(=O)C(=O)NCc1[nH+]ccn1C)C(C)C ZINC000342967440 353244063 /nfs/dbraw/zinc/24/40/63/353244063.db2.gz WANYKBDEAVEQGG-UHFFFAOYSA-N 2 2 295.387 -0.117 20 0 CBADLP CNC(=O)C[NH+]1CCC(N[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000343270629 353262722 /nfs/dbraw/zinc/26/27/22/353262722.db2.gz FLTFEQJNZLUTSM-YPMHNXCESA-N 2 2 268.405 -0.264 20 0 CBADLP CNC(=O)C[NH+]1CCC(N[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000343270629 353262725 /nfs/dbraw/zinc/26/27/25/353262725.db2.gz FLTFEQJNZLUTSM-YPMHNXCESA-N 2 2 268.405 -0.264 20 0 CBADLP NS(=O)(=O)[C@@H]1CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000343279934 353263652 /nfs/dbraw/zinc/26/36/52/353263652.db2.gz QGGGMYCTDAIXEL-SNVBAGLBSA-N 2 2 258.347 -0.364 20 0 CBADLP NS(=O)(=O)[C@@H]1CC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000343279934 353263653 /nfs/dbraw/zinc/26/36/53/353263653.db2.gz QGGGMYCTDAIXEL-SNVBAGLBSA-N 2 2 258.347 -0.364 20 0 CBADLP COC(=O)CC[C@@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000343860467 353295023 /nfs/dbraw/zinc/29/50/23/353295023.db2.gz FTEBJRXMGFNJFO-NWDGAFQWSA-N 2 2 299.371 -0.754 20 0 CBADLP COC(=O)CC[C@@H]([NH3+])C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000343860467 353295025 /nfs/dbraw/zinc/29/50/25/353295025.db2.gz FTEBJRXMGFNJFO-NWDGAFQWSA-N 2 2 299.371 -0.754 20 0 CBADLP C[C@H]1CC[N@H+](CC(=O)NC(N)=O)C[C@@H]1n1cc[nH+]c1 ZINC000156516105 188266520 /nfs/dbraw/zinc/26/65/20/188266520.db2.gz AAEXLIZWSTUHPR-UWVGGRQHSA-N 2 2 265.317 -0.039 20 0 CBADLP C[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C[C@@H]1n1cc[nH+]c1 ZINC000156516105 188266521 /nfs/dbraw/zinc/26/65/21/188266521.db2.gz AAEXLIZWSTUHPR-UWVGGRQHSA-N 2 2 265.317 -0.039 20 0 CBADLP COC(=O)CC[C@@H]([NH3+])C(=O)N(C)CC[NH+]1CCOCC1 ZINC000343899498 353297129 /nfs/dbraw/zinc/29/71/29/353297129.db2.gz YSNCGQUXHUDYRM-LLVKDONJSA-N 2 2 287.360 -0.943 20 0 CBADLP C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CC[NH2+]CC2(F)F)C1 ZINC000343894601 353297242 /nfs/dbraw/zinc/29/72/42/353297242.db2.gz VASXYVHGLLGIKL-VHSXEESVSA-N 2 2 277.315 -0.322 20 0 CBADLP C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CC[NH2+]CC2(F)F)C1 ZINC000343894601 353297244 /nfs/dbraw/zinc/29/72/44/353297244.db2.gz VASXYVHGLLGIKL-VHSXEESVSA-N 2 2 277.315 -0.322 20 0 CBADLP Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)C[NH+](C)C)C1=O ZINC000345940987 353355717 /nfs/dbraw/zinc/35/57/17/353355717.db2.gz NUYXODIEWSSEDV-LLVKDONJSA-N 2 2 293.371 -0.411 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[NH+](CCO)CC1 ZINC000346151987 353363939 /nfs/dbraw/zinc/36/39/39/353363939.db2.gz OSAUEYLBAAWMEF-UHFFFAOYSA-N 2 2 252.318 -0.603 20 0 CBADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@H](C)[NH+]2CCOCC2)C1 ZINC000346213196 353366493 /nfs/dbraw/zinc/36/64/93/353366493.db2.gz ZGCVXNLCLORRKG-UONOGXRCSA-N 2 2 299.415 -0.068 20 0 CBADLP CC(C)[N@H+]1CCO[C@@H](C(=O)NC[C@H](C)[NH+]2CCOCC2)C1 ZINC000346213196 353366494 /nfs/dbraw/zinc/36/64/94/353366494.db2.gz ZGCVXNLCLORRKG-UONOGXRCSA-N 2 2 299.415 -0.068 20 0 CBADLP C[NH+]1CCC(C(=O)NC[C@H]2C[N@H+](C)CCO2)CC1 ZINC000345700937 353343836 /nfs/dbraw/zinc/34/38/36/353343836.db2.gz NKCSVWCXXFKLIA-LBPRGKRZSA-N 2 2 255.362 -0.225 20 0 CBADLP C[NH+]1CCC(C(=O)NC[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000345700937 353343838 /nfs/dbraw/zinc/34/38/38/353343838.db2.gz NKCSVWCXXFKLIA-LBPRGKRZSA-N 2 2 255.362 -0.225 20 0 CBADLP CC[NH+]1CCN(CC(=O)NCCn2cc[nH+]c2C)CC1 ZINC000345702485 353344148 /nfs/dbraw/zinc/34/41/48/353344148.db2.gz QBHBLSSIQFVZQK-UHFFFAOYSA-N 2 2 279.388 -0.055 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@H]([NH3+])CC(F)F)CC1 ZINC000345721800 353345305 /nfs/dbraw/zinc/34/53/05/353345305.db2.gz VXDUNDXVNWORLY-SECBINFHSA-N 2 2 265.304 -0.241 20 0 CBADLP C[C@H](CO)[N@@H+]1CCCN(CC[NH+]2CCOCC2)CC1 ZINC000346694844 353391128 /nfs/dbraw/zinc/39/11/28/353391128.db2.gz WPBAUFBPZWJOIF-CQSZACIVSA-N 2 2 271.405 -0.293 20 0 CBADLP C[C@H](CO)[N@H+]1CCCN(CC[NH+]2CCOCC2)CC1 ZINC000346694844 353391129 /nfs/dbraw/zinc/39/11/29/353391129.db2.gz WPBAUFBPZWJOIF-CQSZACIVSA-N 2 2 271.405 -0.293 20 0 CBADLP CS(=O)(=O)N[C@H]1CC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000346991000 353394381 /nfs/dbraw/zinc/39/43/81/353394381.db2.gz SMQYGWJOYOWSKQ-MNOVXSKESA-N 2 2 261.391 -0.391 20 0 CBADLP CS(=O)(=O)N[C@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000346991000 353394385 /nfs/dbraw/zinc/39/43/85/353394385.db2.gz SMQYGWJOYOWSKQ-MNOVXSKESA-N 2 2 261.391 -0.391 20 0 CBADLP Cn1ccnc(N2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)c1=O ZINC000346957634 353394401 /nfs/dbraw/zinc/39/44/01/353394401.db2.gz CUYWHLWGMVBNTO-CYBMUJFWSA-N 2 2 291.399 -0.098 20 0 CBADLP C[C@H]1C[N@H+](C[C@@H]2CCC[NH2+]C2)CCN1S(C)(=O)=O ZINC000346973991 353394567 /nfs/dbraw/zinc/39/45/67/353394567.db2.gz IQDRKZCGJWYRNB-NWDGAFQWSA-N 2 2 275.418 -0.048 20 0 CBADLP C[C@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)CCN1S(C)(=O)=O ZINC000346973991 353394570 /nfs/dbraw/zinc/39/45/70/353394570.db2.gz IQDRKZCGJWYRNB-NWDGAFQWSA-N 2 2 275.418 -0.048 20 0 CBADLP CNS(=O)(=O)CCC[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000347979752 353402868 /nfs/dbraw/zinc/40/28/68/353402868.db2.gz RKCKGGXQPFYTCF-UHFFFAOYSA-N 2 2 293.433 -0.686 20 0 CBADLP CNS(=O)(=O)CCC[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000347979752 353402871 /nfs/dbraw/zinc/40/28/71/353402871.db2.gz RKCKGGXQPFYTCF-UHFFFAOYSA-N 2 2 293.433 -0.686 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000347974421 353403061 /nfs/dbraw/zinc/40/30/61/353403061.db2.gz KUXYZZJTPQRYCT-CHWSQXEVSA-N 2 2 296.415 -0.251 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000347974421 353403062 /nfs/dbraw/zinc/40/30/62/353403062.db2.gz KUXYZZJTPQRYCT-CHWSQXEVSA-N 2 2 296.415 -0.251 20 0 CBADLP C[NH+](C)CC(=O)NC[C@H]1CCC[C@@H](NC(=O)C[NH+](C)C)C1 ZINC000348916676 353440644 /nfs/dbraw/zinc/44/06/44/353440644.db2.gz FZNJDJJSKNAXCN-QWHCGFSZSA-N 2 2 298.431 -0.099 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)CCOC1C[NH2+]C1 ZINC000348994946 353444247 /nfs/dbraw/zinc/44/42/47/353444247.db2.gz UKMZXLQTXCGDIO-SNVBAGLBSA-N 2 2 252.318 -0.234 20 0 CBADLP CC(C)[C@H](C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1)[NH+](C)C ZINC000349594665 353457484 /nfs/dbraw/zinc/45/74/84/353457484.db2.gz ARQKUQCTSOFMOH-GFCCVEGCSA-N 2 2 298.431 -0.019 20 0 CBADLP C[N@H+](C[C@H](O)C[NH2+][C@@H](CO)[C@H]1CCCO1)C1CC1 ZINC000352355396 353481708 /nfs/dbraw/zinc/48/17/08/353481708.db2.gz CHIJTGCZTGEWCT-FRRDWIJNSA-N 2 2 258.362 -0.429 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH2+][C@@H](CO)[C@H]1CCCO1)C1CC1 ZINC000352355396 353481709 /nfs/dbraw/zinc/48/17/09/353481709.db2.gz CHIJTGCZTGEWCT-FRRDWIJNSA-N 2 2 258.362 -0.429 20 0 CBADLP COCC(=O)N1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000261881956 137701157 /nfs/dbraw/zinc/70/11/57/137701157.db2.gz RFADBCBNQBXXPM-CYBMUJFWSA-N 2 2 255.362 -0.223 20 0 CBADLP [NH3+]CC[C@H]1CCCC[N@@H+]1CC(=O)NCC(=O)N1CCCC1 ZINC000352488145 353487473 /nfs/dbraw/zinc/48/74/73/353487473.db2.gz MTOZZOPJWZGOPO-CYBMUJFWSA-N 2 2 296.415 -0.072 20 0 CBADLP [NH3+]CC[C@H]1CCCC[N@H+]1CC(=O)NCC(=O)N1CCCC1 ZINC000352488145 353487476 /nfs/dbraw/zinc/48/74/76/353487476.db2.gz MTOZZOPJWZGOPO-CYBMUJFWSA-N 2 2 296.415 -0.072 20 0 CBADLP C[NH+]1CCN(C(=O)CC[NH+]2CCS(=O)CC2)CC1 ZINC000351494324 353475217 /nfs/dbraw/zinc/47/52/17/353475217.db2.gz QNIHZPJXVSJCQS-UHFFFAOYSA-N 2 2 273.402 -0.785 20 0 CBADLP C[C@H](C[NH+](C)C)NC(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000352995680 353515641 /nfs/dbraw/zinc/51/56/41/353515641.db2.gz CIVCGXQFHWRIDL-CHWSQXEVSA-N 2 2 285.436 -0.128 20 0 CBADLP C[NH+](C)CCNS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000354067151 353541644 /nfs/dbraw/zinc/54/16/44/353541644.db2.gz ZEWDGXBMFMXQGC-UHFFFAOYSA-N 2 2 279.406 -0.810 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)[C@@H]2CCN(C)C2=O)CC1 ZINC000352666468 353499961 /nfs/dbraw/zinc/49/99/61/353499961.db2.gz HJZGSVSRANGRSO-QWHCGFSZSA-N 2 2 296.415 -0.299 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)[C@@H]2CCN(C)C2=O)CC1 ZINC000352666468 353499964 /nfs/dbraw/zinc/49/99/64/353499964.db2.gz HJZGSVSRANGRSO-QWHCGFSZSA-N 2 2 296.415 -0.299 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)[C@H]2CCN(C)C2=O)CC1 ZINC000352666469 353500219 /nfs/dbraw/zinc/50/02/19/353500219.db2.gz HJZGSVSRANGRSO-STQMWFEESA-N 2 2 296.415 -0.299 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)[C@H]2CCN(C)C2=O)CC1 ZINC000352666469 353500221 /nfs/dbraw/zinc/50/02/21/353500221.db2.gz HJZGSVSRANGRSO-STQMWFEESA-N 2 2 296.415 -0.299 20 0 CBADLP CC[N@@H+]1CCN(CC(=O)N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000352697187 353502668 /nfs/dbraw/zinc/50/26/68/353502668.db2.gz KJUDWMRSKBYOCQ-CYBMUJFWSA-N 2 2 268.405 -0.214 20 0 CBADLP CC[N@H+]1CCN(CC(=O)N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000352697187 353502669 /nfs/dbraw/zinc/50/26/69/353502669.db2.gz KJUDWMRSKBYOCQ-CYBMUJFWSA-N 2 2 268.405 -0.214 20 0 CBADLP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)C[NH+](C)C ZINC000354712410 353580068 /nfs/dbraw/zinc/58/00/68/353580068.db2.gz OTZZUGLONPJUQN-LBPRGKRZSA-N 2 2 256.394 -0.310 20 0 CBADLP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)C[NH+](C)C ZINC000354712410 353580071 /nfs/dbraw/zinc/58/00/71/353580071.db2.gz OTZZUGLONPJUQN-LBPRGKRZSA-N 2 2 256.394 -0.310 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@@H]2COCCO2)CC1 ZINC000354920947 353583982 /nfs/dbraw/zinc/58/39/82/353583982.db2.gz PGMGSPKBPIEVKL-ZIAGYGMSSA-N 2 2 297.399 -0.360 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@@H]2COCCO2)CC1 ZINC000354920947 353583986 /nfs/dbraw/zinc/58/39/86/353583986.db2.gz PGMGSPKBPIEVKL-ZIAGYGMSSA-N 2 2 297.399 -0.360 20 0 CBADLP C[C@H](C[NH3+])C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000357245527 353601821 /nfs/dbraw/zinc/60/18/21/353601821.db2.gz VJYUHVAQBLAXQE-GFCCVEGCSA-N 2 2 292.387 -0.690 20 0 CBADLP CO[C@@H]1CC[N@H+](CCCS(=O)(=O)N(C)C)[C@H](C[NH3+])C1 ZINC000359040897 353651710 /nfs/dbraw/zinc/65/17/10/353651710.db2.gz IQKIHURQWZLUNP-NWDGAFQWSA-N 2 2 293.433 -0.294 20 0 CBADLP CO[C@@H]1CC[N@@H+](CCCS(=O)(=O)N(C)C)[C@H](C[NH3+])C1 ZINC000359040897 353651712 /nfs/dbraw/zinc/65/17/12/353651712.db2.gz IQKIHURQWZLUNP-NWDGAFQWSA-N 2 2 293.433 -0.294 20 0 CBADLP CO[C@@H]1CCN(C(=O)[C@@H](C)[NH+]2CCOCC2)[C@H](C[NH3+])C1 ZINC000359214779 353652217 /nfs/dbraw/zinc/65/22/17/353652217.db2.gz LZOFSAKVBBDOBF-FRRDWIJNSA-N 2 2 285.388 -0.328 20 0 CBADLP O=C(NCc1ccn2cc[nH+]c2c1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000357934577 353615421 /nfs/dbraw/zinc/61/54/21/353615421.db2.gz SSMZYYRPHRNSLS-MNOVXSKESA-N 2 2 260.297 -0.327 20 0 CBADLP Cc1nc(N2CC[NH+](CCCO)CC2)nc(N(C)C)[nH+]1 ZINC000359148259 353652526 /nfs/dbraw/zinc/65/25/26/353652526.db2.gz JBUHQTNKRQOYQU-UHFFFAOYSA-N 2 2 280.376 -0.250 20 0 CBADLP O[C@@H]1COC[C@H]1[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000361301480 353661057 /nfs/dbraw/zinc/66/10/57/353661057.db2.gz WYRUTDUEDLUBAY-BFHYXJOUSA-N 2 2 270.373 -0.210 20 0 CBADLP CCC[C@@](C)([NH3+])C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000364254417 353671298 /nfs/dbraw/zinc/67/12/98/353671298.db2.gz PPSZPWYXLJQXRJ-WCQYABFASA-N 2 2 254.378 -0.380 20 0 CBADLP C[C@@H]([NH3+])C(=O)N1CC[N@H+](C[C@H]2CN(C)CCO2)C[C@H]1C ZINC000366951271 353678855 /nfs/dbraw/zinc/67/88/55/353678855.db2.gz JVFCKNVKPSYVCB-JHJVBQTASA-N 2 2 284.404 -0.803 20 0 CBADLP C[C@@H]([NH3+])C(=O)N1CC[N@@H+](C[C@H]2CN(C)CCO2)C[C@H]1C ZINC000366951271 353678859 /nfs/dbraw/zinc/67/88/59/353678859.db2.gz JVFCKNVKPSYVCB-JHJVBQTASA-N 2 2 284.404 -0.803 20 0 CBADLP CC[N@@H+]1CCOC[C@@H]1C(=O)NCCCC[NH+]1CCOCC1 ZINC000372842237 353722935 /nfs/dbraw/zinc/72/29/35/353722935.db2.gz VVESLKISLSPBOL-CQSZACIVSA-N 2 2 299.415 -0.064 20 0 CBADLP CC[N@H+]1CCOC[C@@H]1C(=O)NCCCC[NH+]1CCOCC1 ZINC000372842237 353722936 /nfs/dbraw/zinc/72/29/36/353722936.db2.gz VVESLKISLSPBOL-CQSZACIVSA-N 2 2 299.415 -0.064 20 0 CBADLP COCCOCC[NH+]1CCC(N2CC[N@H+](C)CC2=O)CC1 ZINC000374768431 353749424 /nfs/dbraw/zinc/74/94/24/353749424.db2.gz RRRMXMVBGFIAMN-UHFFFAOYSA-N 2 2 299.415 -0.112 20 0 CBADLP COCCOCC[NH+]1CCC(N2CC[N@@H+](C)CC2=O)CC1 ZINC000374768431 353749426 /nfs/dbraw/zinc/74/94/26/353749426.db2.gz RRRMXMVBGFIAMN-UHFFFAOYSA-N 2 2 299.415 -0.112 20 0 CBADLP C[N@@H+]1CC[C@@H]2CCN(C[C@H](O)C[NH+]3CCOCC3)C[C@H]21 ZINC000375033672 353753209 /nfs/dbraw/zinc/75/32/09/353753209.db2.gz ATTPWAWNWBMFAT-RBSFLKMASA-N 2 2 283.416 -0.295 20 0 CBADLP C[N@H+]1CC[C@@H]2CCN(C[C@H](O)C[NH+]3CCOCC3)C[C@H]21 ZINC000375033672 353753210 /nfs/dbraw/zinc/75/32/10/353753210.db2.gz ATTPWAWNWBMFAT-RBSFLKMASA-N 2 2 283.416 -0.295 20 0 CBADLP C[NH+]1CCN(C(=O)CN2CC[C@@H]3CC[N@H+](C)C[C@@H]32)CC1 ZINC000375229763 353756339 /nfs/dbraw/zinc/75/63/39/353756339.db2.gz OYJGECRROZFSEX-KBPBESRZSA-N 2 2 280.416 -0.214 20 0 CBADLP CC[C@H]1C[N@H+](CCS(=O)(=O)N(C)C)CC[C@@H]1[NH3+] ZINC000383926398 353785744 /nfs/dbraw/zinc/78/57/44/353785744.db2.gz DTUSKSKZUUMSAQ-QWRGUYRKSA-N 2 2 263.407 -0.063 20 0 CBADLP CC[C@H]1C[N@@H+](CCS(=O)(=O)N(C)C)CC[C@@H]1[NH3+] ZINC000383926398 353785747 /nfs/dbraw/zinc/78/57/47/353785747.db2.gz DTUSKSKZUUMSAQ-QWRGUYRKSA-N 2 2 263.407 -0.063 20 0 CBADLP CC[N@H+](CCO)CCNC(=O)[C@H]1COCC[NH+]1CC ZINC000376319188 353774025 /nfs/dbraw/zinc/77/40/25/353774025.db2.gz NZUQGBWDVLYIMT-GFCCVEGCSA-N 2 2 273.377 -0.863 20 0 CBADLP CC[N@@H+](CCO)CCNC(=O)[C@H]1COCC[NH+]1CC ZINC000376319188 353774027 /nfs/dbraw/zinc/77/40/27/353774027.db2.gz NZUQGBWDVLYIMT-GFCCVEGCSA-N 2 2 273.377 -0.863 20 0 CBADLP CC[NH+](CCO)CCNC(=O)[C@H]1COCC[N@H+]1CC ZINC000376319188 353774031 /nfs/dbraw/zinc/77/40/31/353774031.db2.gz NZUQGBWDVLYIMT-GFCCVEGCSA-N 2 2 273.377 -0.863 20 0 CBADLP CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCC[N@H+](CC(=O)NC)CC1 ZINC000376820714 353776419 /nfs/dbraw/zinc/77/64/19/353776419.db2.gz BNKOXMVRTOXPEE-WCQYABFASA-N 2 2 284.404 -0.360 20 0 CBADLP CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCC[N@@H+](CC(=O)NC)CC1 ZINC000376820714 353776423 /nfs/dbraw/zinc/77/64/23/353776423.db2.gz BNKOXMVRTOXPEE-WCQYABFASA-N 2 2 284.404 -0.360 20 0 CBADLP C[C@H]([NH3+])C(=O)N1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000378213232 353780249 /nfs/dbraw/zinc/78/02/49/353780249.db2.gz YQJUNLWOBGJGPL-QWRGUYRKSA-N 2 2 268.361 -0.854 20 0 CBADLP C[N@H+](C[C@@H](O)C[NH2+]CC1([S@](C)=O)CC1)C1CC1 ZINC000380248376 353782345 /nfs/dbraw/zinc/78/23/45/353782345.db2.gz JPDPHBHBRAXGRM-GTNSWQLSSA-N 2 2 260.403 -0.058 20 0 CBADLP C[N@@H+](C[C@@H](O)C[NH2+]CC1([S@](C)=O)CC1)C1CC1 ZINC000380248376 353782347 /nfs/dbraw/zinc/78/23/47/353782347.db2.gz JPDPHBHBRAXGRM-GTNSWQLSSA-N 2 2 260.403 -0.058 20 0 CBADLP C[C@H]1CN(Cc2nnnn2C)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000374619949 353747723 /nfs/dbraw/zinc/74/77/23/353747723.db2.gz FEVWBFYJFVNUHM-LBPRGKRZSA-N 2 2 293.419 -0.190 20 0 CBADLP C[C@H]1CN(Cc2nnnn2C)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000374619949 353747726 /nfs/dbraw/zinc/74/77/26/353747726.db2.gz FEVWBFYJFVNUHM-LBPRGKRZSA-N 2 2 293.419 -0.190 20 0 CBADLP Cc1ncc(C[NH2+]CC(=O)N2CC[NH+](C)CC2)o1 ZINC000397929528 353796513 /nfs/dbraw/zinc/79/65/13/353796513.db2.gz CTLKVVZUOZWVGK-UHFFFAOYSA-N 2 2 252.318 -0.153 20 0 CBADLP CC[C@@H]1C[N@H+](C[C@@H](O)C[NH+](C)CCOC)C[C@H]1O ZINC000400050299 353799094 /nfs/dbraw/zinc/79/90/94/353799094.db2.gz WLQJVKVMLRPHRW-FRRDWIJNSA-N 2 2 260.378 -0.372 20 0 CBADLP CC[C@@H]1C[N@@H+](C[C@@H](O)C[NH+](C)CCOC)C[C@H]1O ZINC000400050299 353799096 /nfs/dbraw/zinc/79/90/96/353799096.db2.gz WLQJVKVMLRPHRW-FRRDWIJNSA-N 2 2 260.378 -0.372 20 0 CBADLP CC[C@@H]1C[NH+](C[C@@H](O)C[N@H+](C)CCOC)C[C@H]1O ZINC000400050299 353799098 /nfs/dbraw/zinc/79/90/98/353799098.db2.gz WLQJVKVMLRPHRW-FRRDWIJNSA-N 2 2 260.378 -0.372 20 0 CBADLP CC[C@@H]1C[NH+](C[C@@H](O)C[N@@H+](C)CCOC)C[C@H]1O ZINC000400050299 353799100 /nfs/dbraw/zinc/79/91/00/353799100.db2.gz WLQJVKVMLRPHRW-FRRDWIJNSA-N 2 2 260.378 -0.372 20 0 CBADLP C[C@H]([NH2+][C@H]1CCN(S(C)(=O)=O)C1)[C@H]1CCC[NH2+]1 ZINC000400179786 353799632 /nfs/dbraw/zinc/79/96/32/353799632.db2.gz QVBGDYUKSAVBQR-GARJFASQSA-N 2 2 261.391 -0.250 20 0 CBADLP CC(C)(C)[NH2+]CC[NH2+][C@H]1CCN(S(C)(=O)=O)C1 ZINC000400220280 353801165 /nfs/dbraw/zinc/80/11/65/353801165.db2.gz YEWCVKZTCBWLMY-JTQLQIEISA-N 2 2 263.407 -0.002 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1C[C@H](O)C[C@H](C)C1 ZINC000401581307 353802387 /nfs/dbraw/zinc/80/23/87/353802387.db2.gz KFGSLYFAHOHFHG-YNEHKIRRSA-N 2 2 260.378 -0.372 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@H](O)C[C@H](C)C1 ZINC000401581307 353802388 /nfs/dbraw/zinc/80/23/88/353802388.db2.gz KFGSLYFAHOHFHG-YNEHKIRRSA-N 2 2 260.378 -0.372 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1C[C@H](O)C[C@H](C)C1 ZINC000401581307 353802389 /nfs/dbraw/zinc/80/23/89/353802389.db2.gz KFGSLYFAHOHFHG-YNEHKIRRSA-N 2 2 260.378 -0.372 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@H](O)C[C@H](C)C1 ZINC000401581307 353802391 /nfs/dbraw/zinc/80/23/91/353802391.db2.gz KFGSLYFAHOHFHG-YNEHKIRRSA-N 2 2 260.378 -0.372 20 0 CBADLP O[C@@H](CN1CC[NH+](CCCF)CC1)C[NH+]1CCOCC1 ZINC000402527707 353803847 /nfs/dbraw/zinc/80/38/47/353803847.db2.gz IVNUBUBRIDPNLW-AWEZNQCLSA-N 2 2 289.395 -0.343 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@H](NC(N)=O)C2)CC1 ZINC000408025790 353827928 /nfs/dbraw/zinc/82/79/28/353827928.db2.gz UHYZOQRHBPVYPV-NEPJUHHUSA-N 2 2 297.403 -0.718 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@H](NC(N)=O)C2)CC1 ZINC000408025790 353827929 /nfs/dbraw/zinc/82/79/29/353827929.db2.gz UHYZOQRHBPVYPV-NEPJUHHUSA-N 2 2 297.403 -0.718 20 0 CBADLP CCN(C)C(=O)[C@@H](C)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000386469647 353788233 /nfs/dbraw/zinc/78/82/33/353788233.db2.gz UOVCOLYGJCNITO-PWSUYJOCSA-N 2 2 257.378 -0.102 20 0 CBADLP CCN(C)C(=O)[C@@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000386469647 353788236 /nfs/dbraw/zinc/78/82/36/353788236.db2.gz UOVCOLYGJCNITO-PWSUYJOCSA-N 2 2 257.378 -0.102 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2C[C@H](O)C(C)(C)C2)CC1 ZINC000387863424 353788881 /nfs/dbraw/zinc/78/88/81/353788881.db2.gz LZPBQXWZSLJBTE-NSHDSACASA-N 2 2 255.362 -0.537 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2C[C@H](O)C(C)(C)C2)CC1 ZINC000387863424 353788884 /nfs/dbraw/zinc/78/88/84/353788884.db2.gz LZPBQXWZSLJBTE-NSHDSACASA-N 2 2 255.362 -0.537 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH2+][C@](C)(C(N)=O)C(C)C ZINC000388609892 353789844 /nfs/dbraw/zinc/78/98/44/353789844.db2.gz QPPUQKIMKQWCMN-YPMHNXCESA-N 2 2 275.393 -0.585 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@](C)(C(N)=O)C(C)C ZINC000388609892 353789847 /nfs/dbraw/zinc/78/98/47/353789847.db2.gz QPPUQKIMKQWCMN-YPMHNXCESA-N 2 2 275.393 -0.585 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C(=O)OC)C1 ZINC000394032289 353794481 /nfs/dbraw/zinc/79/44/81/353794481.db2.gz LPOUGKBCQOMFMV-NEPJUHHUSA-N 2 2 274.361 -0.580 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C(=O)OC)C1 ZINC000394032289 353794484 /nfs/dbraw/zinc/79/44/84/353794484.db2.gz LPOUGKBCQOMFMV-NEPJUHHUSA-N 2 2 274.361 -0.580 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](C(=O)OC)C1 ZINC000394032289 353794486 /nfs/dbraw/zinc/79/44/86/353794486.db2.gz LPOUGKBCQOMFMV-NEPJUHHUSA-N 2 2 274.361 -0.580 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](C(=O)OC)C1 ZINC000394032289 353794489 /nfs/dbraw/zinc/79/44/89/353794489.db2.gz LPOUGKBCQOMFMV-NEPJUHHUSA-N 2 2 274.361 -0.580 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC000408269202 353882633 /nfs/dbraw/zinc/88/26/33/353882633.db2.gz BCAMDTSLOXDPPP-VXGBXAGGSA-N 2 2 271.361 -0.846 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC000408269202 353882634 /nfs/dbraw/zinc/88/26/34/353882634.db2.gz BCAMDTSLOXDPPP-VXGBXAGGSA-N 2 2 271.361 -0.846 20 0 CBADLP C[C@@H]1COCC[NH+]1CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000408269202 353882636 /nfs/dbraw/zinc/88/26/36/353882636.db2.gz BCAMDTSLOXDPPP-VXGBXAGGSA-N 2 2 271.361 -0.846 20 0 CBADLP C[C@@H]1COCC[NH+]1CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000408269202 353882637 /nfs/dbraw/zinc/88/26/37/353882637.db2.gz BCAMDTSLOXDPPP-VXGBXAGGSA-N 2 2 271.361 -0.846 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC000408269200 353882732 /nfs/dbraw/zinc/88/27/32/353882732.db2.gz BCAMDTSLOXDPPP-NWDGAFQWSA-N 2 2 271.361 -0.846 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC000408269200 353882735 /nfs/dbraw/zinc/88/27/35/353882735.db2.gz BCAMDTSLOXDPPP-NWDGAFQWSA-N 2 2 271.361 -0.846 20 0 CBADLP C[C@H]1COCC[NH+]1CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000408269200 353882739 /nfs/dbraw/zinc/88/27/39/353882739.db2.gz BCAMDTSLOXDPPP-NWDGAFQWSA-N 2 2 271.361 -0.846 20 0 CBADLP C[C@H]1COCC[NH+]1CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000408269200 353882742 /nfs/dbraw/zinc/88/27/42/353882742.db2.gz BCAMDTSLOXDPPP-NWDGAFQWSA-N 2 2 271.361 -0.846 20 0 CBADLP CC[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000408110668 353850636 /nfs/dbraw/zinc/85/06/36/353850636.db2.gz TZNOPWJNDSRDGG-CHWSQXEVSA-N 2 2 285.388 -0.768 20 0 CBADLP CC[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000408110668 353850640 /nfs/dbraw/zinc/85/06/40/353850640.db2.gz TZNOPWJNDSRDGG-CHWSQXEVSA-N 2 2 285.388 -0.768 20 0 CBADLP CC[C@H](O)C[NH+]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000408110670 353851011 /nfs/dbraw/zinc/85/10/11/353851011.db2.gz TZNOPWJNDSRDGG-QWHCGFSZSA-N 2 2 285.388 -0.768 20 0 CBADLP CC[C@H](O)C[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000408110670 353851012 /nfs/dbraw/zinc/85/10/12/353851012.db2.gz TZNOPWJNDSRDGG-QWHCGFSZSA-N 2 2 285.388 -0.768 20 0 CBADLP C[C@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC[N@@H+]1CCO ZINC000408372936 353906147 /nfs/dbraw/zinc/90/61/47/353906147.db2.gz CHAJWJPNHLQUEC-QWHCGFSZSA-N 2 2 292.383 -0.030 20 0 CBADLP C[C@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC[N@H+]1CCO ZINC000408372936 353906150 /nfs/dbraw/zinc/90/61/50/353906150.db2.gz CHAJWJPNHLQUEC-QWHCGFSZSA-N 2 2 292.383 -0.030 20 0 CBADLP CN(C(=O)C(=O)N1CC[NH+](C)CC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000410496264 353930474 /nfs/dbraw/zinc/93/04/74/353930474.db2.gz DTLZLDBTAGAPRF-ZDUSSCGKSA-N 2 2 294.399 -0.545 20 0 CBADLP CN(C(=O)C(=O)N1CC[NH+](C)CC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000410496264 353930477 /nfs/dbraw/zinc/93/04/77/353930477.db2.gz DTLZLDBTAGAPRF-ZDUSSCGKSA-N 2 2 294.399 -0.545 20 0 CBADLP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000410699190 353935741 /nfs/dbraw/zinc/93/57/41/353935741.db2.gz PIXXVCZHWSZXHV-CYBMUJFWSA-N 2 2 296.415 -0.441 20 0 CBADLP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000410699190 353935746 /nfs/dbraw/zinc/93/57/46/353935746.db2.gz PIXXVCZHWSZXHV-CYBMUJFWSA-N 2 2 296.415 -0.441 20 0 CBADLP C[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N1CC[NH+](C)CC1)CC2 ZINC000410730968 353936703 /nfs/dbraw/zinc/93/67/03/353936703.db2.gz NUKRICPXCWVQSZ-OLZOCXBDSA-N 2 2 294.399 -0.545 20 0 CBADLP C[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)C(=O)N1CC[NH+](C)CC1)CC2 ZINC000410730968 353936708 /nfs/dbraw/zinc/93/67/08/353936708.db2.gz NUKRICPXCWVQSZ-OLZOCXBDSA-N 2 2 294.399 -0.545 20 0 CBADLP C[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)CC1 ZINC000410991374 353939798 /nfs/dbraw/zinc/93/97/98/353939798.db2.gz VACKMNGTSNLSGW-OLZOCXBDSA-N 2 2 294.399 -0.687 20 0 CBADLP C[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)CC1 ZINC000410991374 353939800 /nfs/dbraw/zinc/93/98/00/353939800.db2.gz VACKMNGTSNLSGW-OLZOCXBDSA-N 2 2 294.399 -0.687 20 0 CBADLP C[C@@H]1C[C@H](O)C[NH+](C[C@@H](O)C[N@H+]2C[C@H](O)C[C@H](C)C2)C1 ZINC000412029632 353942839 /nfs/dbraw/zinc/94/28/39/353942839.db2.gz DGFXUOYPYBJJPC-AZOBVAEKSA-N 2 2 286.416 -0.247 20 0 CBADLP C[C@@H]1C[C@H](O)C[NH+](C[C@@H](O)C[N@@H+]2C[C@H](O)C[C@H](C)C2)C1 ZINC000412029632 353942840 /nfs/dbraw/zinc/94/28/40/353942840.db2.gz DGFXUOYPYBJJPC-AZOBVAEKSA-N 2 2 286.416 -0.247 20 0 CBADLP C[C@@H]1C[C@H](O)C[N@H+](C[C@@H](O)C[NH+]2C[C@H](O)C[C@H](C)C2)C1 ZINC000412029632 353942842 /nfs/dbraw/zinc/94/28/42/353942842.db2.gz DGFXUOYPYBJJPC-AZOBVAEKSA-N 2 2 286.416 -0.247 20 0 CBADLP C[C@@H]1C[C@H](O)C[N@@H+](C[C@@H](O)C[NH+]2C[C@H](O)C[C@H](C)C2)C1 ZINC000412029632 353942843 /nfs/dbraw/zinc/94/28/43/353942843.db2.gz DGFXUOYPYBJJPC-AZOBVAEKSA-N 2 2 286.416 -0.247 20 0 CBADLP C[C@H]1[C@H](CO)CCC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000412079024 353943669 /nfs/dbraw/zinc/94/36/69/353943669.db2.gz KUPCRROVGKXTKP-STQMWFEESA-N 2 2 269.389 -0.147 20 0 CBADLP C[C@H]1[C@H](CO)CCC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000412079024 353943671 /nfs/dbraw/zinc/94/36/71/353943671.db2.gz KUPCRROVGKXTKP-STQMWFEESA-N 2 2 269.389 -0.147 20 0 CBADLP C[C@@H]1[C@H](CO)CCC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000412079018 353944074 /nfs/dbraw/zinc/94/40/74/353944074.db2.gz KUPCRROVGKXTKP-OLZOCXBDSA-N 2 2 269.389 -0.147 20 0 CBADLP C[C@@H]1[C@H](CO)CCC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000412079018 353944076 /nfs/dbraw/zinc/94/40/76/353944076.db2.gz KUPCRROVGKXTKP-OLZOCXBDSA-N 2 2 269.389 -0.147 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[NH+](CCO)C[C@@H]2C)C1 ZINC000416306805 353967958 /nfs/dbraw/zinc/96/79/58/353967958.db2.gz KCWBLFCNDKQEMX-RDBSUJKOSA-N 2 2 299.415 -0.379 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[NH+](CCO)C[C@@H]2C)C1 ZINC000416306805 353967959 /nfs/dbraw/zinc/96/79/59/353967959.db2.gz KCWBLFCNDKQEMX-RDBSUJKOSA-N 2 2 299.415 -0.379 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)C1 ZINC000416306805 353967960 /nfs/dbraw/zinc/96/79/60/353967960.db2.gz KCWBLFCNDKQEMX-RDBSUJKOSA-N 2 2 299.415 -0.379 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)C1 ZINC000416306805 353967961 /nfs/dbraw/zinc/96/79/61/353967961.db2.gz KCWBLFCNDKQEMX-RDBSUJKOSA-N 2 2 299.415 -0.379 20 0 CBADLP [NH3+]C[C@@H]1CCCCN1C(=O)NCC[NH+]1CCOCC1 ZINC000416433906 353968935 /nfs/dbraw/zinc/96/89/35/353968935.db2.gz RMFLLAJCQBCZPN-LBPRGKRZSA-N 2 2 270.377 -0.159 20 0 CBADLP CC1(C)CN(C(=O)NCC[NH+]2CCOCC2)CC[NH2+]1 ZINC000416447343 353969893 /nfs/dbraw/zinc/96/98/93/353969893.db2.gz RNDYHVDHRIHTPW-UHFFFAOYSA-N 2 2 270.377 -0.288 20 0 CBADLP [NH3+]CC(F)(F)CNC(=O)NCCC[NH+]1CCOCC1 ZINC000416788611 353973068 /nfs/dbraw/zinc/97/30/68/353973068.db2.gz IRKXSJACKHXGMG-UHFFFAOYSA-N 2 2 280.319 -0.398 20 0 CBADLP C[C@H](C[NH3+])CNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000416830696 353973941 /nfs/dbraw/zinc/97/39/41/353973941.db2.gz RSROMDCVEORGML-LLVKDONJSA-N 2 2 272.393 -0.009 20 0 CBADLP C[NH2+]C[C@H](C)CNC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000417001063 353974928 /nfs/dbraw/zinc/97/49/28/353974928.db2.gz DKIHVRADTCPHST-RYUDHWBXSA-N 2 2 272.393 -0.138 20 0 CBADLP CC[NH2+]CCNC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000417043807 353975712 /nfs/dbraw/zinc/97/57/12/353975712.db2.gz XWZSFSGIXSQOSK-NSHDSACASA-N 2 2 258.366 -0.384 20 0 CBADLP C[NH2+]CCNC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000417422665 353978024 /nfs/dbraw/zinc/97/80/24/353978024.db2.gz LMYCXBDQPRNKNB-UHFFFAOYSA-N 2 2 258.366 -0.384 20 0 CBADLP C[NH2+]CCNC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000417422665 353978026 /nfs/dbraw/zinc/97/80/26/353978026.db2.gz LMYCXBDQPRNKNB-UHFFFAOYSA-N 2 2 258.366 -0.384 20 0 CBADLP C[C@H](C[NH3+])CNC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000417530549 353978553 /nfs/dbraw/zinc/97/85/53/353978553.db2.gz SJDRKJYIUYBCCX-MNOVXSKESA-N 2 2 258.366 -0.399 20 0 CBADLP C[C@H](C[NH3+])CNC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000417530549 353978555 /nfs/dbraw/zinc/97/85/55/353978555.db2.gz SJDRKJYIUYBCCX-MNOVXSKESA-N 2 2 258.366 -0.399 20 0 CBADLP CC1(C)COCC[N@@H+]1CCNC(=O)N1CC[C@@H]([NH3+])C1 ZINC000417509206 353979014 /nfs/dbraw/zinc/97/90/14/353979014.db2.gz RIDCCPYABXLSAP-LLVKDONJSA-N 2 2 270.377 -0.160 20 0 CBADLP CC1(C)COCC[N@H+]1CCNC(=O)N1CC[C@@H]([NH3+])C1 ZINC000417509206 353979017 /nfs/dbraw/zinc/97/90/17/353979017.db2.gz RIDCCPYABXLSAP-LLVKDONJSA-N 2 2 270.377 -0.160 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@H](C[NH3+])C1CC1 ZINC000417533740 353980061 /nfs/dbraw/zinc/98/00/61/353980061.db2.gz YEUYVTAGDDJNFQ-ZYHUDNBSSA-N 2 2 270.377 -0.256 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N[C@H](C[NH3+])C1CC1 ZINC000417533740 353980062 /nfs/dbraw/zinc/98/00/62/353980062.db2.gz YEUYVTAGDDJNFQ-ZYHUDNBSSA-N 2 2 270.377 -0.256 20 0 CBADLP CC[C@H]1C[N@H+](CCNC(=O)NCC[NH2+]C)CCO1 ZINC000418332225 353994087 /nfs/dbraw/zinc/99/40/87/353994087.db2.gz QZJDYGSGRVFZEO-NSHDSACASA-N 2 2 258.366 -0.384 20 0 CBADLP CC[C@H]1C[N@@H+](CCNC(=O)NCC[NH2+]C)CCO1 ZINC000418332225 353994090 /nfs/dbraw/zinc/99/40/90/353994090.db2.gz QZJDYGSGRVFZEO-NSHDSACASA-N 2 2 258.366 -0.384 20 0 CBADLP C[C@H]1CCCN(C(=O)C(=O)NCCn2cc[nH+]c2)[C@@H]1C[NH3+] ZINC000418886190 354014278 /nfs/dbraw/zinc/01/42/78/354014278.db2.gz KIZJCZPMNJYHCA-NWDGAFQWSA-N 2 2 293.371 -0.415 20 0 CBADLP C[C@H]1CN(C(=O)C(=O)NCCn2cc[nH+]c2)C[C@H](C)[NH2+]1 ZINC000418894224 354014775 /nfs/dbraw/zinc/01/47/75/354014775.db2.gz YWZLILFZHYGEEM-QWRGUYRKSA-N 2 2 279.344 -0.792 20 0 CBADLP C[C@@H](C[NH3+])CNC(=O)C(=O)NCCCNc1cccc[nH+]1 ZINC000419651930 354067357 /nfs/dbraw/zinc/06/73/57/354067357.db2.gz PRQQITDSUVZRLS-NSHDSACASA-N 2 2 293.371 -0.289 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000419681103 354069213 /nfs/dbraw/zinc/06/92/13/354069213.db2.gz IBEPIUYHMICZJR-IJLUTSLNSA-N 2 2 293.371 -0.403 20 0 CBADLP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000419690685 354070155 /nfs/dbraw/zinc/07/01/55/354070155.db2.gz VRVXIIKEJCFHGK-NEPJUHHUSA-N 2 2 295.387 -0.123 20 0 CBADLP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000419690689 354070254 /nfs/dbraw/zinc/07/02/54/354070254.db2.gz VRVXIIKEJCFHGK-VXGBXAGGSA-N 2 2 295.387 -0.123 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)NCCC[NH2+]C2CC2)CC1 ZINC000419858766 354085727 /nfs/dbraw/zinc/08/57/27/354085727.db2.gz XMGZRIMRSYKLBF-UHFFFAOYSA-N 2 2 282.388 -0.591 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)NC[C@@H](C)C[NH2+]C)CC1 ZINC000419976258 354099203 /nfs/dbraw/zinc/09/92/03/354099203.db2.gz LMBOADLFSZXUBT-NSHDSACASA-N 2 2 270.377 -0.878 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000420144102 354111725 /nfs/dbraw/zinc/11/17/25/354111725.db2.gz MJOCQOMVNIHYFT-NWDGAFQWSA-N 2 2 282.388 -0.735 20 0 CBADLP C[C@@H]([NH3+])[C@H](C)Nc1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000420266505 354120776 /nfs/dbraw/zinc/12/07/76/354120776.db2.gz QTDJPINFIRTBCM-ZJUUUORDSA-N 2 2 278.360 -0.097 20 0 CBADLP C[N@H+](CCN1C[C@H]2CC[C@@H](C1)O2)CC(=O)N1CC[NH2+]CC1 ZINC000420302597 354121731 /nfs/dbraw/zinc/12/17/31/354121731.db2.gz WMTAKPKVOLIHME-OKILXGFUSA-N 2 2 296.415 -0.787 20 0 CBADLP C[N@@H+](CCN1C[C@H]2CC[C@@H](C1)O2)CC(=O)N1CC[NH2+]CC1 ZINC000420302597 354121733 /nfs/dbraw/zinc/12/17/33/354121733.db2.gz WMTAKPKVOLIHME-OKILXGFUSA-N 2 2 296.415 -0.787 20 0 CBADLP CN(CC[N@H+]1C[C@H]2CC[C@@H](C1)O2)CC(=O)N1CC[NH2+]CC1 ZINC000420302597 354121736 /nfs/dbraw/zinc/12/17/36/354121736.db2.gz WMTAKPKVOLIHME-OKILXGFUSA-N 2 2 296.415 -0.787 20 0 CBADLP CN(CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)CC(=O)N1CC[NH2+]CC1 ZINC000420302597 354121739 /nfs/dbraw/zinc/12/17/39/354121739.db2.gz WMTAKPKVOLIHME-OKILXGFUSA-N 2 2 296.415 -0.787 20 0 CBADLP CCN(C)C(=O)CC[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000420308747 354123072 /nfs/dbraw/zinc/12/30/72/354123072.db2.gz OABZNOPBHAMQIF-ZDUSSCGKSA-N 2 2 296.415 -0.249 20 0 CBADLP CCN(C)C(=O)CC[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000420308747 354123073 /nfs/dbraw/zinc/12/30/73/354123073.db2.gz OABZNOPBHAMQIF-ZDUSSCGKSA-N 2 2 296.415 -0.249 20 0 CBADLP CCOC(=O)[C@@H](C)[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000420307089 354123123 /nfs/dbraw/zinc/12/31/23/354123123.db2.gz LSXHVCYIGCJZHW-NEPJUHHUSA-N 2 2 283.372 -0.166 20 0 CBADLP CCOC(=O)[C@@H](C)[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000420307089 354123125 /nfs/dbraw/zinc/12/31/25/354123125.db2.gz LSXHVCYIGCJZHW-NEPJUHHUSA-N 2 2 283.372 -0.166 20 0 CBADLP COC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000420307395 354123157 /nfs/dbraw/zinc/12/31/57/354123157.db2.gz IJZMLXZIDOEMOB-SNVBAGLBSA-N 2 2 257.334 -0.521 20 0 CBADLP COC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000420307395 354123158 /nfs/dbraw/zinc/12/31/58/354123158.db2.gz IJZMLXZIDOEMOB-SNVBAGLBSA-N 2 2 257.334 -0.521 20 0 CBADLP C[C@@H](NC(=O)C[N@H+](C)C1CC([NH3+])C1)C(=O)N1CCCCC1 ZINC000420331341 354124502 /nfs/dbraw/zinc/12/45/02/354124502.db2.gz MKAAXWYFAFVIBI-PNESKVBLSA-N 2 2 296.415 -0.075 20 0 CBADLP C[C@@H](NC(=O)C[N@@H+](C)C1CC([NH3+])C1)C(=O)N1CCCCC1 ZINC000420331341 354124505 /nfs/dbraw/zinc/12/45/05/354124505.db2.gz MKAAXWYFAFVIBI-PNESKVBLSA-N 2 2 296.415 -0.075 20 0 CBADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CCC(=O)N1CC[NH2+]CC1 ZINC000420366287 354125526 /nfs/dbraw/zinc/12/55/26/354125526.db2.gz LZZNXXVSDZIPSS-MBNYWOFBSA-N 3 2 268.405 -0.216 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000420367544 354126352 /nfs/dbraw/zinc/12/63/52/354126352.db2.gz SUDGYZHFOJMUBG-NSHDSACASA-N 2 2 286.420 -0.066 20 0 CBADLP C[NH2+]CCC[N@H+](C)[C@@H](C)C(=O)NC(=O)NC1CC1 ZINC000420384628 354126383 /nfs/dbraw/zinc/12/63/83/354126383.db2.gz DTBDWMVGFHGTGQ-VIFPVBQESA-N 2 2 256.350 -0.096 20 0 CBADLP C[NH2+]CCC[N@@H+](C)[C@@H](C)C(=O)NC(=O)NC1CC1 ZINC000420384628 354126387 /nfs/dbraw/zinc/12/63/87/354126387.db2.gz DTBDWMVGFHGTGQ-VIFPVBQESA-N 2 2 256.350 -0.096 20 0 CBADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CC(=O)NC(=O)NC1CC1 ZINC000420372245 354126459 /nfs/dbraw/zinc/12/64/59/354126459.db2.gz QDPWAVZTKYSLTP-LNLATYFQSA-N 2 2 268.361 -0.049 20 0 CBADLP COC(=O)C[C@H]([NH3+])C(=O)N1CC[NH+](C(C)C)CC1 ZINC000423328760 354169433 /nfs/dbraw/zinc/16/94/33/354169433.db2.gz SHCGCVWBNPFZMB-JTQLQIEISA-N 2 2 257.334 -0.571 20 0 CBADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1N[C@@H]1C[NH2+]CCC1(F)F ZINC000423491862 354177934 /nfs/dbraw/zinc/17/79/34/354177934.db2.gz ZTPLWEOTGJEIAO-OPRDCNLKSA-N 2 2 277.315 -0.133 20 0 CBADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000423352226 354171240 /nfs/dbraw/zinc/17/12/40/354171240.db2.gz AAFKDACDPFNTBV-OLZOCXBDSA-N 2 2 296.415 -0.395 20 0 CBADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000423352226 354171244 /nfs/dbraw/zinc/17/12/44/354171244.db2.gz AAFKDACDPFNTBV-OLZOCXBDSA-N 2 2 296.415 -0.395 20 0 CBADLP COC[C@@]1(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)CC[NH2+]C1 ZINC000423365401 354172427 /nfs/dbraw/zinc/17/24/27/354172427.db2.gz BPUFURCYGJOCOQ-GXTWGEPZSA-N 2 2 285.388 -0.551 20 0 CBADLP COC[C@@]1(C(=O)NCC[N@H+]2CCOC[C@@H]2C)CC[NH2+]C1 ZINC000423365401 354172431 /nfs/dbraw/zinc/17/24/31/354172431.db2.gz BPUFURCYGJOCOQ-GXTWGEPZSA-N 2 2 285.388 -0.551 20 0 CBADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1N[C@H]1C[NH2+]CC[C@H]1C ZINC000423363155 354172537 /nfs/dbraw/zinc/17/25/37/354172537.db2.gz NODRFJGFGHOQIH-NOOOWODRSA-N 2 2 255.362 -0.132 20 0 CBADLP COC[C@]1(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)CC[NH2+]C1 ZINC000423365404 354172847 /nfs/dbraw/zinc/17/28/47/354172847.db2.gz BPUFURCYGJOCOQ-JSGCOSHPSA-N 2 2 285.388 -0.551 20 0 CBADLP COC[C@]1(C(=O)NCC[N@H+]2CCOC[C@@H]2C)CC[NH2+]C1 ZINC000423365404 354172849 /nfs/dbraw/zinc/17/28/49/354172849.db2.gz BPUFURCYGJOCOQ-JSGCOSHPSA-N 2 2 285.388 -0.551 20 0 CBADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[NH2+][C@@H](C)C2)C[C@H]1C ZINC000423365429 354172854 /nfs/dbraw/zinc/17/28/54/354172854.db2.gz BFGZIYWVQLZRFH-XQQFMLRXSA-N 2 2 296.415 -0.252 20 0 CBADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[NH2+][C@@H](C)C2)C[C@H]1C ZINC000423365429 354172856 /nfs/dbraw/zinc/17/28/56/354172856.db2.gz BFGZIYWVQLZRFH-XQQFMLRXSA-N 2 2 296.415 -0.252 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]([NH3+])C1CCC1 ZINC000423379779 354173338 /nfs/dbraw/zinc/17/33/38/354173338.db2.gz NFMPEENAERYBEB-CMPLNLGQSA-N 2 2 255.362 -0.049 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@H]([NH3+])C1CCC1 ZINC000423379779 354173341 /nfs/dbraw/zinc/17/33/41/354173341.db2.gz NFMPEENAERYBEB-CMPLNLGQSA-N 2 2 255.362 -0.049 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]([NH3+])C1CCC1 ZINC000423379780 354173725 /nfs/dbraw/zinc/17/37/25/354173725.db2.gz NFMPEENAERYBEB-JQWIXIFHSA-N 2 2 255.362 -0.049 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]([NH3+])C1CCC1 ZINC000423379780 354173728 /nfs/dbraw/zinc/17/37/28/354173728.db2.gz NFMPEENAERYBEB-JQWIXIFHSA-N 2 2 255.362 -0.049 20 0 CBADLP C[C@@H]1CC[NH2+][C@H](C(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)C1 ZINC000423427529 354175979 /nfs/dbraw/zinc/17/59/79/354175979.db2.gz FVTXPNBGQKEAMG-NEPJUHHUSA-N 2 2 296.415 -0.217 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H](NC(C)=O)C2)CC1 ZINC000420987575 354139267 /nfs/dbraw/zinc/13/92/67/354139267.db2.gz OMLXBHOIEPTNJZ-JSGCOSHPSA-N 2 2 296.415 -0.251 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H](NC(C)=O)C2)CC1 ZINC000420987575 354139268 /nfs/dbraw/zinc/13/92/68/354139268.db2.gz OMLXBHOIEPTNJZ-JSGCOSHPSA-N 2 2 296.415 -0.251 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@@H](C(=O)NC)C2)CC1 ZINC000420971820 354139334 /nfs/dbraw/zinc/13/93/34/354139334.db2.gz IPICHGIBZZKGAG-CHWSQXEVSA-N 2 2 296.415 -0.393 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@@H](C(=O)NC)C2)CC1 ZINC000420971820 354139336 /nfs/dbraw/zinc/13/93/36/354139336.db2.gz IPICHGIBZZKGAG-CHWSQXEVSA-N 2 2 296.415 -0.393 20 0 CBADLP CC1(C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)C[NH2+]C1 ZINC000423458702 354176843 /nfs/dbraw/zinc/17/68/43/354176843.db2.gz QRWSRMRKLUKZOU-UHFFFAOYSA-N 2 2 263.345 -0.337 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)CC1 ZINC000422103337 354143083 /nfs/dbraw/zinc/14/30/83/354143083.db2.gz ROTMZFHVKYNMMC-ZDUSSCGKSA-N 2 2 296.415 -0.297 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@H+]2C)CC1 ZINC000422103337 354143087 /nfs/dbraw/zinc/14/30/87/354143087.db2.gz ROTMZFHVKYNMMC-ZDUSSCGKSA-N 2 2 296.415 -0.297 20 0 CBADLP CC(C)(CC[NH3+])NC(=O)NCC[NH+]1CCOCC1 ZINC000422547528 354148790 /nfs/dbraw/zinc/14/87/90/354148790.db2.gz ZSUXYAJCVGLMRU-UHFFFAOYSA-N 2 2 258.366 -0.255 20 0 CBADLP C[C@@H]1C[C@@H](C)[N@H+](CC(=O)N2CCNC(=O)C2)C[C@@H]1C[NH3+] ZINC000422637811 354150394 /nfs/dbraw/zinc/15/03/94/354150394.db2.gz PHTHCNURAKLXHT-UTUOFQBUSA-N 2 2 282.388 -0.750 20 0 CBADLP C[C@@H]1C[C@@H](C)[N@@H+](CC(=O)N2CCNC(=O)C2)C[C@@H]1C[NH3+] ZINC000422637811 354150397 /nfs/dbraw/zinc/15/03/97/354150397.db2.gz PHTHCNURAKLXHT-UTUOFQBUSA-N 2 2 282.388 -0.750 20 0 CBADLP [NH3+]CCCNC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000422711906 354151463 /nfs/dbraw/zinc/15/14/63/354151463.db2.gz NMSTXWCBTKFACO-GFCCVEGCSA-N 2 2 255.362 -0.048 20 0 CBADLP [NH3+]CCCNC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000422711906 354151468 /nfs/dbraw/zinc/15/14/68/354151468.db2.gz NMSTXWCBTKFACO-GFCCVEGCSA-N 2 2 255.362 -0.048 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CCCC[C@H]1C[NH3+] ZINC000422751007 354152809 /nfs/dbraw/zinc/15/28/09/354152809.db2.gz ATWNWOOFZUOSPY-LBPRGKRZSA-N 2 2 284.404 -0.217 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CCCC[C@H]1C[NH3+] ZINC000422751007 354152813 /nfs/dbraw/zinc/15/28/13/354152813.db2.gz ATWNWOOFZUOSPY-LBPRGKRZSA-N 2 2 284.404 -0.217 20 0 CBADLP CC(=O)N1CCN(CC[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000422867351 354156774 /nfs/dbraw/zinc/15/67/74/354156774.db2.gz RYQOCEIOQOBXGQ-GXTWGEPZSA-N 2 2 268.405 -0.262 20 0 CBADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NCC[N@H+](C)CCOC ZINC000422906267 354157399 /nfs/dbraw/zinc/15/73/99/354157399.db2.gz JKXDCRZLSCFFEY-NWDGAFQWSA-N 2 2 273.377 -0.552 20 0 CBADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NCC[N@@H+](C)CCOC ZINC000422906267 354157400 /nfs/dbraw/zinc/15/74/00/354157400.db2.gz JKXDCRZLSCFFEY-NWDGAFQWSA-N 2 2 273.377 -0.552 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C)CC1 ZINC000422982056 354159416 /nfs/dbraw/zinc/15/94/16/354159416.db2.gz VIAUINRJZZLIJC-CYBMUJFWSA-N 2 2 298.431 -0.018 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H](C[NH2+]C)C2)CC1 ZINC000422982200 354159478 /nfs/dbraw/zinc/15/94/78/354159478.db2.gz VXRWEJOOTFVVNK-ZDUSSCGKSA-N 2 2 296.415 -0.392 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000423558217 354180078 /nfs/dbraw/zinc/18/00/78/354180078.db2.gz LBAKXSMYEZRJNW-NWDGAFQWSA-N 2 2 284.404 -0.443 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000423558217 354180081 /nfs/dbraw/zinc/18/00/81/354180081.db2.gz LBAKXSMYEZRJNW-NWDGAFQWSA-N 2 2 284.404 -0.443 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000423601362 354182783 /nfs/dbraw/zinc/18/27/83/354182783.db2.gz GOCMRQSTSJIWFQ-NEPJUHHUSA-N 2 2 284.404 -0.301 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000423601362 354182789 /nfs/dbraw/zinc/18/27/89/354182789.db2.gz GOCMRQSTSJIWFQ-NEPJUHHUSA-N 2 2 284.404 -0.301 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH2+]C)CC1 ZINC000423591917 354183121 /nfs/dbraw/zinc/18/31/21/354183121.db2.gz CTAGBGGFSXNCSJ-GFCCVEGCSA-N 2 2 282.388 -0.639 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)CC1 ZINC000423623843 354185560 /nfs/dbraw/zinc/18/55/60/354185560.db2.gz CICBSZIABABGSN-VXGBXAGGSA-N 2 2 282.388 -0.641 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)CC1 ZINC000423667686 354189962 /nfs/dbraw/zinc/18/99/62/354189962.db2.gz JJEPADHDAHYNLN-RYUDHWBXSA-N 2 2 282.388 -0.654 20 0 CBADLP O=C(NC[C@@H]1C[NH2+]C[C@H]1O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000423663392 354190278 /nfs/dbraw/zinc/19/02/78/354190278.db2.gz GCZFJEPMTWFHBI-FPMFFAJLSA-N 2 2 297.399 -0.674 20 0 CBADLP O=C(NC[C@@H]1C[NH2+]C[C@H]1O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000423663392 354190281 /nfs/dbraw/zinc/19/02/81/354190281.db2.gz GCZFJEPMTWFHBI-FPMFFAJLSA-N 2 2 297.399 -0.674 20 0 CBADLP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)CC[NH2+]1 ZINC000423671661 354190820 /nfs/dbraw/zinc/19/08/20/354190820.db2.gz CKIBYMRJIBQYTA-UTUOFQBUSA-N 2 2 282.388 -0.642 20 0 CBADLP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)CC[NH2+]1 ZINC000423671661 354190822 /nfs/dbraw/zinc/19/08/22/354190822.db2.gz CKIBYMRJIBQYTA-UTUOFQBUSA-N 2 2 282.388 -0.642 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])CC1 ZINC000423691000 354192287 /nfs/dbraw/zinc/19/22/87/354192287.db2.gz ZMQBLQHDSBZDCC-CHWSQXEVSA-N 2 2 296.415 -0.121 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)C[C@H]1CSCC[NH2+]1 ZINC000423740023 354196261 /nfs/dbraw/zinc/19/62/61/354196261.db2.gz GITOXRBJJYDXLY-LBPRGKRZSA-N 2 2 287.429 -0.128 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)C[C@H]1CCC[NH2+]1 ZINC000423749927 354197315 /nfs/dbraw/zinc/19/73/15/354197315.db2.gz WNKBEJZHGAEYKY-GFCCVEGCSA-N 2 2 255.362 -0.081 20 0 CBADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000423786861 354200421 /nfs/dbraw/zinc/20/04/21/354200421.db2.gz QKGUOMJDWHETTN-RYUDHWBXSA-N 2 2 299.371 -0.929 20 0 CBADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H](C)[NH3+])[C@H](C)C1 ZINC000423863442 354201589 /nfs/dbraw/zinc/20/15/89/354201589.db2.gz WGTRUWXXANDKNW-ZJUUUORDSA-N 2 2 257.334 -0.571 20 0 CBADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@H](C)[NH3+])[C@H](C)C1 ZINC000423863442 354201593 /nfs/dbraw/zinc/20/15/93/354201593.db2.gz WGTRUWXXANDKNW-ZJUUUORDSA-N 2 2 257.334 -0.571 20 0 CBADLP C[NH2+]CC(=O)N1CC[N@H+](CCC(=O)OC)C[C@H]1C ZINC000423862771 354201736 /nfs/dbraw/zinc/20/17/36/354201736.db2.gz UELCOKTVKGVMSF-SNVBAGLBSA-N 2 2 257.334 -0.698 20 0 CBADLP C[NH2+]CC(=O)N1CC[N@@H+](CCC(=O)OC)C[C@H]1C ZINC000423862771 354201737 /nfs/dbraw/zinc/20/17/37/354201737.db2.gz UELCOKTVKGVMSF-SNVBAGLBSA-N 2 2 257.334 -0.698 20 0 CBADLP CO[C@@H](C[NH3+])CC(=O)N(CC1CC1)C[C@H]1C[N@H+](C)CCO1 ZINC000423863052 354202082 /nfs/dbraw/zinc/20/20/82/354202082.db2.gz HDRIQRAPKKMOHK-ZIAGYGMSSA-N 2 2 299.415 -0.081 20 0 CBADLP CO[C@@H](C[NH3+])CC(=O)N(CC1CC1)C[C@H]1C[N@@H+](C)CCO1 ZINC000423863052 354202084 /nfs/dbraw/zinc/20/20/84/354202084.db2.gz HDRIQRAPKKMOHK-ZIAGYGMSSA-N 2 2 299.415 -0.081 20 0 CBADLP C[NH2+]CC(=O)N(CC1CC1)C[C@@H]1C[N@H+](C)CCO1 ZINC000423875574 354202743 /nfs/dbraw/zinc/20/27/43/354202743.db2.gz RTYVWFZOIJBCQP-LBPRGKRZSA-N 2 2 255.362 -0.225 20 0 CBADLP C[NH2+]CC(=O)N(CC1CC1)C[C@@H]1C[N@@H+](C)CCO1 ZINC000423875574 354202747 /nfs/dbraw/zinc/20/27/47/354202747.db2.gz RTYVWFZOIJBCQP-LBPRGKRZSA-N 2 2 255.362 -0.225 20 0 CBADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H]2C[NH2+]CCO2)[C@@H](C)C1 ZINC000423864450 354202845 /nfs/dbraw/zinc/20/28/45/354202845.db2.gz YRMNQJKMAGQFLI-NWDGAFQWSA-N 2 2 299.371 -0.929 20 0 CBADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@H]2C[NH2+]CCO2)[C@@H](C)C1 ZINC000423864450 354202848 /nfs/dbraw/zinc/20/28/48/354202848.db2.gz YRMNQJKMAGQFLI-NWDGAFQWSA-N 2 2 299.371 -0.929 20 0 CBADLP C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)COC2C[NH2+]C2)C1 ZINC000423884115 354204346 /nfs/dbraw/zinc/20/43/46/354204346.db2.gz YINKSWAFBGUNFQ-CQSZACIVSA-N 2 2 297.399 -0.456 20 0 CBADLP C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)COC2C[NH2+]C2)C1 ZINC000423884115 354204349 /nfs/dbraw/zinc/20/43/49/354204349.db2.gz YINKSWAFBGUNFQ-CQSZACIVSA-N 2 2 297.399 -0.456 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000423947344 354205872 /nfs/dbraw/zinc/20/58/72/354205872.db2.gz DJPXKUISCIQGAB-LLVKDONJSA-N 2 2 286.420 -0.068 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000423947344 354205876 /nfs/dbraw/zinc/20/58/76/354205876.db2.gz DJPXKUISCIQGAB-LLVKDONJSA-N 2 2 286.420 -0.068 20 0 CBADLP CC[C@@H]1CN(C(=O)[C@H]2COCC[NH2+]2)C[C@H]1[NH+]1CCOCC1 ZINC000424166563 354212966 /nfs/dbraw/zinc/21/29/66/354212966.db2.gz GGFZDYFRFIJQJR-MGPQQGTHSA-N 2 2 297.399 -0.456 20 0 CBADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)[C@H]1C[NH2+]CCO1 ZINC000424182600 354216440 /nfs/dbraw/zinc/21/64/40/354216440.db2.gz ZSWAHSKAGRPCJT-DTWKUNHWSA-N 2 2 263.288 -0.664 20 0 CBADLP CN(C(=O)[C@H]1COCC[NH2+]1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000430889247 354250763 /nfs/dbraw/zinc/25/07/63/354250763.db2.gz KMJJLVCEHSEBIU-NWDGAFQWSA-N 2 2 253.346 -0.330 20 0 CBADLP CN(C(=O)[C@H]1COCC[NH2+]1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000430889247 354250764 /nfs/dbraw/zinc/25/07/64/354250764.db2.gz KMJJLVCEHSEBIU-NWDGAFQWSA-N 2 2 253.346 -0.330 20 0 CBADLP O=C(COC1C[NH2+]C1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000430881268 354250928 /nfs/dbraw/zinc/25/09/28/354250928.db2.gz ZSVDENMKODWCQD-CYBMUJFWSA-N 2 2 297.399 -0.312 20 0 CBADLP C[NH2+]C[C@H]1CC[N@@H+]([C@H](C)C(=O)NC(=O)NC2CC2)C1 ZINC000430924343 354251862 /nfs/dbraw/zinc/25/18/62/354251862.db2.gz AMQIFWNDTMXIAC-NXEZZACHSA-N 2 2 268.361 -0.096 20 0 CBADLP C[NH2+]C[C@H]1CC[N@H+]([C@H](C)C(=O)NC(=O)NC2CC2)C1 ZINC000430924343 354251864 /nfs/dbraw/zinc/25/18/64/354251864.db2.gz AMQIFWNDTMXIAC-NXEZZACHSA-N 2 2 268.361 -0.096 20 0 CBADLP O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)[C@H]1CC[NH2+]1 ZINC000444170290 354262194 /nfs/dbraw/zinc/26/21/94/354262194.db2.gz MRGGCNQQRIADPW-YPMHNXCESA-N 2 2 285.413 -0.328 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000444177035 354262897 /nfs/dbraw/zinc/26/28/97/354262897.db2.gz SGNQCZCZBMSLRR-YRGRVCCFSA-N 2 2 267.373 -0.177 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000444177035 354262898 /nfs/dbraw/zinc/26/28/98/354262898.db2.gz SGNQCZCZBMSLRR-YRGRVCCFSA-N 2 2 267.373 -0.177 20 0 CBADLP O=C([C@H]1CC[NH2+]1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000444176474 354263254 /nfs/dbraw/zinc/26/32/54/354263254.db2.gz PUHAGQWBEGLYDK-NWDGAFQWSA-N 2 2 253.346 -0.329 20 0 CBADLP C[C@H](NC(=O)[C@@H]1CSC[NH2+]1)[C@H](C)[NH+]1CCOCC1 ZINC000167695937 299213657 /nfs/dbraw/zinc/21/36/57/299213657.db2.gz JMWFWENXBFOGLJ-DCAQKATOSA-N 2 2 273.402 -0.126 20 0 CBADLP CC(=O)N1CCN(C(=O)[C@@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000424277511 354221496 /nfs/dbraw/zinc/22/14/96/354221496.db2.gz AOUMFNXTTGQERB-MRVWCRGKSA-N 2 2 296.415 -0.075 20 0 CBADLP C[C@@H](NC(=O)[C@@H]1CC[NH2+]C1)[C@H](C)[NH+]1CCOCC1 ZINC000446360586 354286637 /nfs/dbraw/zinc/28/66/37/354286637.db2.gz AXLSTMUZNZDZDD-GRYCIOLGSA-N 2 2 255.362 -0.179 20 0 CBADLP O=C([C@H]1C[C@H](F)C[NH2+]1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000446369861 354286739 /nfs/dbraw/zinc/28/67/39/354286739.db2.gz HPYQJIIKPKRKAK-WDEREUQCSA-N 2 2 281.335 -0.246 20 0 CBADLP CO[C@@H](C[NH3+])CC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000447439120 354298481 /nfs/dbraw/zinc/29/84/81/354298481.db2.gz JCUGCKVIBFSHAT-CYBMUJFWSA-N 3 2 286.420 -0.508 20 0 CBADLP CO[C@H](C[NH3+])CC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000447447955 354299415 /nfs/dbraw/zinc/29/94/15/354299415.db2.gz KYKOGAMYGCWQJX-ZDUSSCGKSA-N 2 2 295.387 -0.572 20 0 CBADLP CO[C@@H](C[NH3+])CC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000447447953 354299695 /nfs/dbraw/zinc/29/96/95/354299695.db2.gz KYKOGAMYGCWQJX-CYBMUJFWSA-N 2 2 295.387 -0.572 20 0 CBADLP CC1(C)C[NH+](CC(O)C[N@@H+]2C[C@@H](O)C(C)(C)C2)C[C@H]1O ZINC000447794335 354305013 /nfs/dbraw/zinc/30/50/13/354305013.db2.gz HZBFJUFJIIDMRH-CHWSQXEVSA-N 2 2 286.416 -0.247 20 0 CBADLP CC1(C)C[NH+](CC(O)C[N@H+]2C[C@@H](O)C(C)(C)C2)C[C@H]1O ZINC000447794335 354305015 /nfs/dbraw/zinc/30/50/15/354305015.db2.gz HZBFJUFJIIDMRH-CHWSQXEVSA-N 2 2 286.416 -0.247 20 0 CBADLP CCOCC[C@@H](O)C[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000444588873 354274537 /nfs/dbraw/zinc/27/45/37/354274537.db2.gz GXGAUYVXWIBMEY-CYBMUJFWSA-N 2 2 287.404 -0.520 20 0 CBADLP C[C@@H]1C[NH2+]C[C@H]1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000449344650 354320151 /nfs/dbraw/zinc/32/01/51/354320151.db2.gz DBHOGMYJVVFBGG-IJLUTSLNSA-N 2 2 255.362 -0.321 20 0 CBADLP C[C@@H]1C[NH2+]C[C@H]1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000449344650 354320156 /nfs/dbraw/zinc/32/01/56/354320156.db2.gz DBHOGMYJVVFBGG-IJLUTSLNSA-N 2 2 255.362 -0.321 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](CCCO)C2)CC1 ZINC000452132171 354348259 /nfs/dbraw/zinc/34/82/59/354348259.db2.gz QJXLXCZEVCQPEQ-ZDUSSCGKSA-N 2 2 269.389 -0.145 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](CCCO)C2)CC1 ZINC000452132171 354348260 /nfs/dbraw/zinc/34/82/60/354348260.db2.gz QJXLXCZEVCQPEQ-ZDUSSCGKSA-N 2 2 269.389 -0.145 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](CCO)C[C@H]2C)C1 ZINC000457119726 354368264 /nfs/dbraw/zinc/36/82/64/354368264.db2.gz KXPDHBJQHOQAMV-OLZOCXBDSA-N 2 2 285.388 -0.768 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[NH+](CCO)C[C@H]2C)C1 ZINC000457119726 354368268 /nfs/dbraw/zinc/36/82/68/354368268.db2.gz KXPDHBJQHOQAMV-OLZOCXBDSA-N 2 2 285.388 -0.768 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)N2CC[N@H+](CCO)C[C@H]2C)C1 ZINC000457119726 354368269 /nfs/dbraw/zinc/36/82/69/354368269.db2.gz KXPDHBJQHOQAMV-OLZOCXBDSA-N 2 2 285.388 -0.768 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)N2CC[N@@H+](CCO)C[C@H]2C)C1 ZINC000457119726 354368273 /nfs/dbraw/zinc/36/82/73/354368273.db2.gz KXPDHBJQHOQAMV-OLZOCXBDSA-N 2 2 285.388 -0.768 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC000457094992 354368423 /nfs/dbraw/zinc/36/84/23/354368423.db2.gz HXASUCDTRDGTIS-ZIAGYGMSSA-N 2 2 299.415 -0.520 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC000457094992 354368429 /nfs/dbraw/zinc/36/84/29/354368429.db2.gz HXASUCDTRDGTIS-ZIAGYGMSSA-N 2 2 299.415 -0.520 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](CCO)C[C@@H]2C)C1 ZINC000457119728 354368720 /nfs/dbraw/zinc/36/87/20/354368720.db2.gz KXPDHBJQHOQAMV-STQMWFEESA-N 2 2 285.388 -0.768 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[NH+](CCO)C[C@@H]2C)C1 ZINC000457119728 354368721 /nfs/dbraw/zinc/36/87/21/354368721.db2.gz KXPDHBJQHOQAMV-STQMWFEESA-N 2 2 285.388 -0.768 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)N2CC[N@H+](CCO)C[C@@H]2C)C1 ZINC000457119728 354368722 /nfs/dbraw/zinc/36/87/22/354368722.db2.gz KXPDHBJQHOQAMV-STQMWFEESA-N 2 2 285.388 -0.768 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)N2CC[N@@H+](CCO)C[C@@H]2C)C1 ZINC000457119728 354368723 /nfs/dbraw/zinc/36/87/23/354368723.db2.gz KXPDHBJQHOQAMV-STQMWFEESA-N 2 2 285.388 -0.768 20 0 CBADLP CCC[N@H+](C)CC(=O)N1CC[NH+](CCO)C[C@@H]1C ZINC000457114064 354368998 /nfs/dbraw/zinc/36/89/98/354368998.db2.gz GZRCYSGFZXILNW-LBPRGKRZSA-N 2 2 257.378 -0.147 20 0 CBADLP CCC[N@@H+](C)CC(=O)N1CC[NH+](CCO)C[C@@H]1C ZINC000457114064 354369003 /nfs/dbraw/zinc/36/90/03/354369003.db2.gz GZRCYSGFZXILNW-LBPRGKRZSA-N 2 2 257.378 -0.147 20 0 CBADLP CCC[NH+](C)CC(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC000457114064 354369007 /nfs/dbraw/zinc/36/90/07/354369007.db2.gz GZRCYSGFZXILNW-LBPRGKRZSA-N 2 2 257.378 -0.147 20 0 CBADLP CCC[NH+](C)CC(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC000457114064 354369008 /nfs/dbraw/zinc/36/90/08/354369008.db2.gz GZRCYSGFZXILNW-LBPRGKRZSA-N 2 2 257.378 -0.147 20 0 CBADLP CNC(=O)[C@H](C)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000489914767 354437030 /nfs/dbraw/zinc/43/70/30/354437030.db2.gz UBOSTCZZBJMSOP-NSHDSACASA-N 2 2 299.419 -0.554 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000461109714 354398792 /nfs/dbraw/zinc/39/87/92/354398792.db2.gz OUIRBBOAKQEZSF-SRVKXCTJSA-N 2 2 281.360 -0.412 20 0 CBADLP COCC[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@H]1CCOC1 ZINC000490069859 354439624 /nfs/dbraw/zinc/43/96/24/354439624.db2.gz ADVHBDSIOOXAHT-ZDUSSCGKSA-N 2 2 285.388 -0.502 20 0 CBADLP COCC[N@@H+](CC(=O)N1CC[NH+](C)CC1)[C@H]1CCOC1 ZINC000490069859 354439627 /nfs/dbraw/zinc/43/96/27/354439627.db2.gz ADVHBDSIOOXAHT-ZDUSSCGKSA-N 2 2 285.388 -0.502 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2C[C@@H](OC)[C@@H](OC)C2)CC1 ZINC000487977811 354419399 /nfs/dbraw/zinc/41/93/99/354419399.db2.gz CHEFQNUBYNGQQR-MCIONIFRSA-N 2 2 299.415 -0.115 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2C[C@@H](OC)[C@@H](OC)C2)CC1 ZINC000487977811 354419400 /nfs/dbraw/zinc/41/94/00/354419400.db2.gz CHEFQNUBYNGQQR-MCIONIFRSA-N 2 2 299.415 -0.115 20 0 CBADLP Cc1nc(N2CCC[N@H+](CCO)CC2)nc(N(C)C)[nH+]1 ZINC000488370253 354422973 /nfs/dbraw/zinc/42/29/73/354422973.db2.gz VIYGZYWQFXKSIS-UHFFFAOYSA-N 2 2 280.376 -0.250 20 0 CBADLP Cc1nc(N2CCC[N@@H+](CCO)CC2)nc(N(C)C)[nH+]1 ZINC000488370253 354422974 /nfs/dbraw/zinc/42/29/74/354422974.db2.gz VIYGZYWQFXKSIS-UHFFFAOYSA-N 2 2 280.376 -0.250 20 0 CBADLP C[N@@H+]1CC[C@](O)(CNC(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492858454 354483358 /nfs/dbraw/zinc/48/33/58/354483358.db2.gz LIOJBOBRHNUVBT-DLGQBQFBSA-N 2 2 250.302 -0.394 20 0 CBADLP C[N@H+]1CC[C@](O)(CNC(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492858454 354483361 /nfs/dbraw/zinc/48/33/61/354483361.db2.gz LIOJBOBRHNUVBT-DLGQBQFBSA-N 2 2 250.302 -0.394 20 0 CBADLP COC(=O)N1CC([NH2+][C@H](C)C[C@H]2COCC[NH2+]2)C1 ZINC000496315285 354541258 /nfs/dbraw/zinc/54/12/58/354541258.db2.gz WBJHUNAFRGXVMO-ZJUUUORDSA-N 2 2 257.334 -0.206 20 0 CBADLP C[C@@H]1C[N@H+](CCO)CCN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493212435 354490477 /nfs/dbraw/zinc/49/04/77/354490477.db2.gz ABKYEAXUCSPYBJ-KXMPLOMGSA-N 2 2 264.329 -0.052 20 0 CBADLP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493212435 354490481 /nfs/dbraw/zinc/49/04/81/354490481.db2.gz ABKYEAXUCSPYBJ-KXMPLOMGSA-N 2 2 264.329 -0.052 20 0 CBADLP O=C(C=Cc1c[nH]c[nH+]1)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000493174073 354490844 /nfs/dbraw/zinc/49/08/44/354490844.db2.gz WRLVKIXWYOLHSS-VSZDKKFSSA-N 2 2 276.340 -0.004 20 0 CBADLP C[C@H](C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)[NH+]1CCOCC1 ZINC000494899092 354496227 /nfs/dbraw/zinc/49/62/27/354496227.db2.gz XYTUQKIEVFLOMP-UPJWGTAASA-N 2 2 267.373 -0.083 20 0 CBADLP Nc1nc(N)nc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)n1 ZINC000495020943 354497313 /nfs/dbraw/zinc/49/73/13/354497313.db2.gz VOXRKHBEGJXSHM-QMMMGPOBSA-N 2 2 274.332 -0.201 20 0 CBADLP Nc1nc(N)nc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)n1 ZINC000495020943 354497314 /nfs/dbraw/zinc/49/73/14/354497314.db2.gz VOXRKHBEGJXSHM-QMMMGPOBSA-N 2 2 274.332 -0.201 20 0 CBADLP COC(=O)C[N@H+]1CCC[C@H](CNC(=O)C2([NH3+])CCC2)C1 ZINC000519644032 354565880 /nfs/dbraw/zinc/56/58/80/354565880.db2.gz LEIDKJLMGAXDJF-LLVKDONJSA-N 2 2 283.372 -0.131 20 0 CBADLP Cc1cc(NC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc[nH+]1 ZINC000520430722 354567799 /nfs/dbraw/zinc/56/77/99/354567799.db2.gz JEQNXPFCYXGARF-RYUDHWBXSA-N 2 2 289.339 -0.412 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)[C@@H]2C[NH+]3CCN2CCC3)CCO1 ZINC000535720752 354602793 /nfs/dbraw/zinc/60/27/93/354602793.db2.gz IJRNTTRNSKLOGM-KBPBESRZSA-N 2 2 296.415 -0.787 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)[C@@H]2C[NH+]3CCN2CCC3)CCO1 ZINC000535720752 354602794 /nfs/dbraw/zinc/60/27/94/354602794.db2.gz IJRNTTRNSKLOGM-KBPBESRZSA-N 2 2 296.415 -0.787 20 0 CBADLP C[C@H]1C[NH+](CCNC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CCO1 ZINC000535720752 354602795 /nfs/dbraw/zinc/60/27/95/354602795.db2.gz IJRNTTRNSKLOGM-KBPBESRZSA-N 2 2 296.415 -0.787 20 0 CBADLP C[C@H]1C[NH+](CCNC(=O)[C@@H]2C[N@H+]3CCN2CCC3)CCO1 ZINC000535720752 354602796 /nfs/dbraw/zinc/60/27/96/354602796.db2.gz IJRNTTRNSKLOGM-KBPBESRZSA-N 2 2 296.415 -0.787 20 0 CBADLP CN(C)c1[nH+]cc(CNC(=O)NC[C@H]2COCC[NH2+]2)n1C ZINC000529318656 354584555 /nfs/dbraw/zinc/58/45/55/354584555.db2.gz XTLZDMAZQLNXEW-JTQLQIEISA-N 2 2 296.375 -0.726 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)NCCc2c[nH+]cn2C)C1 ZINC000541552437 354625838 /nfs/dbraw/zinc/62/58/38/354625838.db2.gz UXJFWDXXOCSTDE-LBPRGKRZSA-N 2 2 266.345 -0.201 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)NCCc2c[nH+]cn2C)C1 ZINC000541552437 354625840 /nfs/dbraw/zinc/62/58/40/354625840.db2.gz UXJFWDXXOCSTDE-LBPRGKRZSA-N 2 2 266.345 -0.201 20 0 CBADLP Cc1nc(N2CC[NH2+][C@H](C(N)=O)C2)c2c([nH+]1)CCCC2 ZINC000542009139 354629343 /nfs/dbraw/zinc/62/93/43/354629343.db2.gz USTZVQMWSMNSHP-LBPRGKRZSA-N 2 2 275.356 -0.073 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNc1cc[nH+]cc1C(N)=O ZINC000545868636 354648608 /nfs/dbraw/zinc/64/86/08/354648608.db2.gz WAAHBSQISJSEIU-JTQLQIEISA-N 2 2 264.329 -0.265 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNc1cc[nH+]cc1C(N)=O ZINC000545868636 354648613 /nfs/dbraw/zinc/64/86/13/354648613.db2.gz WAAHBSQISJSEIU-JTQLQIEISA-N 2 2 264.329 -0.265 20 0 CBADLP CNS(=O)(=O)[C@H]1CC[N@H+](CCn2cc[nH+]c2C)C1 ZINC000536561735 354606908 /nfs/dbraw/zinc/60/69/08/354606908.db2.gz KIZMNGHCWULBBH-NSHDSACASA-N 2 2 272.374 -0.185 20 0 CBADLP CNS(=O)(=O)[C@H]1CC[N@@H+](CCn2cc[nH+]c2C)C1 ZINC000536561735 354606909 /nfs/dbraw/zinc/60/69/09/354606909.db2.gz KIZMNGHCWULBBH-NSHDSACASA-N 2 2 272.374 -0.185 20 0 CBADLP C[NH+]1CCN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000562693436 354687159 /nfs/dbraw/zinc/68/71/59/354687159.db2.gz ZQSSKOOJHFNTFO-ZDUSSCGKSA-N 2 2 294.399 -0.543 20 0 CBADLP CC(C)N1CC[C@H](NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])C1=O ZINC000562811160 354687818 /nfs/dbraw/zinc/68/78/18/354687818.db2.gz SNFOTZKKQRVILC-RYUDHWBXSA-N 2 2 297.403 -0.720 20 0 CBADLP CC(C)N1CC[C@H](NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])C1=O ZINC000562811160 354687819 /nfs/dbraw/zinc/68/78/19/354687819.db2.gz SNFOTZKKQRVILC-RYUDHWBXSA-N 2 2 297.403 -0.720 20 0 CBADLP COCC[C@H](C)NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000562797123 354688044 /nfs/dbraw/zinc/68/80/44/354688044.db2.gz WIJDKYZLTKZWAF-WDEREUQCSA-N 2 2 258.366 -0.304 20 0 CBADLP COCC[C@H](C)NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000562797123 354688048 /nfs/dbraw/zinc/68/80/48/354688048.db2.gz WIJDKYZLTKZWAF-WDEREUQCSA-N 2 2 258.366 -0.304 20 0 CBADLP [NH3+]C[C@@H](NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)C1CC1 ZINC000562814556 354688317 /nfs/dbraw/zinc/68/83/17/354688317.db2.gz GNEPZCQAYDUUMG-FRRDWIJNSA-N 2 2 282.388 -0.114 20 0 CBADLP [NH3+]C[C@@H](NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)C1CC1 ZINC000562814556 354688320 /nfs/dbraw/zinc/68/83/20/354688320.db2.gz GNEPZCQAYDUUMG-FRRDWIJNSA-N 2 2 282.388 -0.114 20 0 CBADLP CC(C)N1CC[C@H](NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])C1=O ZINC000562811147 354688382 /nfs/dbraw/zinc/68/83/82/354688382.db2.gz SNFOTZKKQRVILC-NEPJUHHUSA-N 2 2 297.403 -0.720 20 0 CBADLP CC(C)N1CC[C@H](NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])C1=O ZINC000562811147 354688384 /nfs/dbraw/zinc/68/83/84/354688384.db2.gz SNFOTZKKQRVILC-NEPJUHHUSA-N 2 2 297.403 -0.720 20 0 CBADLP COC[C@]1(CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])CCC[NH2+]1 ZINC000562815805 354688403 /nfs/dbraw/zinc/68/84/03/354688403.db2.gz BFHSNTYVUDCHCD-TZMCWYRMSA-N 3 2 299.419 -0.961 20 0 CBADLP COC[C@]1(CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])CCC[NH2+]1 ZINC000562815805 354688404 /nfs/dbraw/zinc/68/84/04/354688404.db2.gz BFHSNTYVUDCHCD-TZMCWYRMSA-N 3 2 299.419 -0.961 20 0 CBADLP COCC[C@@H](C)NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000562796986 354688415 /nfs/dbraw/zinc/68/84/15/354688415.db2.gz WIJDKYZLTKZWAF-GHMZBOCLSA-N 2 2 258.366 -0.304 20 0 CBADLP COCC[C@@H](C)NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000562796986 354688416 /nfs/dbraw/zinc/68/84/16/354688416.db2.gz WIJDKYZLTKZWAF-GHMZBOCLSA-N 2 2 258.366 -0.304 20 0 CBADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]C[C@]2(C)CCC(=O)N2)C[C@H](C)O1 ZINC000563000787 354691921 /nfs/dbraw/zinc/69/19/21/354691921.db2.gz NKTFVYNLYZZRAA-COMQUAJESA-N 2 2 299.415 -0.285 20 0 CBADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]C[C@]2(C)CCC(=O)N2)C[C@H](C)O1 ZINC000563000787 354691922 /nfs/dbraw/zinc/69/19/22/354691922.db2.gz NKTFVYNLYZZRAA-COMQUAJESA-N 2 2 299.415 -0.285 20 0 CBADLP COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)[NH3+])C1 ZINC000563098545 354696566 /nfs/dbraw/zinc/69/65/66/354696566.db2.gz WSQHNZAMAHSDSC-JTQLQIEISA-N 2 2 271.361 -0.275 20 0 CBADLP COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)[NH3+])C1 ZINC000563098545 354696568 /nfs/dbraw/zinc/69/65/68/354696568.db2.gz WSQHNZAMAHSDSC-JTQLQIEISA-N 2 2 271.361 -0.275 20 0 CBADLP C[C@@H](C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C)[NH+]1CC(C)C1 ZINC000565205918 354732402 /nfs/dbraw/zinc/73/24/02/354732402.db2.gz DFPGWMISQGKZOZ-XQQFMLRXSA-N 2 2 267.373 -0.132 20 0 CBADLP C[C@@H](C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C)[NH+]1CC(C)C1 ZINC000565205918 354732406 /nfs/dbraw/zinc/73/24/06/354732406.db2.gz DFPGWMISQGKZOZ-XQQFMLRXSA-N 2 2 267.373 -0.132 20 0 CBADLP CO[C@H](CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])C1CC1 ZINC000563875610 354707028 /nfs/dbraw/zinc/70/70/28/354707028.db2.gz QSOREQWALMAQEY-VXGBXAGGSA-N 2 2 270.377 -0.304 20 0 CBADLP CO[C@H](CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])C1CC1 ZINC000563875610 354707032 /nfs/dbraw/zinc/70/70/32/354707032.db2.gz QSOREQWALMAQEY-VXGBXAGGSA-N 2 2 270.377 -0.304 20 0 CBADLP COC[C@H]1CCN(C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])C1 ZINC000563888710 354707063 /nfs/dbraw/zinc/70/70/63/354707063.db2.gz CNWRVJDXTUBDSG-RYUDHWBXSA-N 2 2 270.377 -0.351 20 0 CBADLP COC[C@H]1CCN(C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])C1 ZINC000563888710 354707066 /nfs/dbraw/zinc/70/70/66/354707066.db2.gz CNWRVJDXTUBDSG-RYUDHWBXSA-N 2 2 270.377 -0.351 20 0 CBADLP CO[C@H](CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])C1CC1 ZINC000563875608 354707091 /nfs/dbraw/zinc/70/70/91/354707091.db2.gz QSOREQWALMAQEY-NWDGAFQWSA-N 2 2 270.377 -0.304 20 0 CBADLP CO[C@H](CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])C1CC1 ZINC000563875608 354707094 /nfs/dbraw/zinc/70/70/94/354707094.db2.gz QSOREQWALMAQEY-NWDGAFQWSA-N 2 2 270.377 -0.304 20 0 CBADLP C[NH+](C)CCn1ccc(C(=O)N2CC[NH+](C)CC2)n1 ZINC000564098762 354710693 /nfs/dbraw/zinc/71/06/93/354710693.db2.gz YUSWPGZJLUFXMO-UHFFFAOYSA-N 2 2 265.361 -0.168 20 0 CBADLP O[C@@H](C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1)CN1CCOCC1 ZINC000564202834 354710898 /nfs/dbraw/zinc/71/08/98/354710898.db2.gz CGZGYUAWMXSASW-RYUDHWBXSA-N 2 2 280.372 -0.450 20 0 CBADLP O[C@@H](C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1)CN1CCOCC1 ZINC000564202834 354710902 /nfs/dbraw/zinc/71/09/02/354710902.db2.gz CGZGYUAWMXSASW-RYUDHWBXSA-N 2 2 280.372 -0.450 20 0 CBADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000564643501 354714533 /nfs/dbraw/zinc/71/45/33/354714533.db2.gz FSCMXDJLMNUBPI-LBPRGKRZSA-N 2 2 294.355 -0.021 20 0 CBADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CCc2ncn(C)n2)C[C@H](C)O1 ZINC000564722022 354715996 /nfs/dbraw/zinc/71/59/96/354715996.db2.gz IBMYRXVPNLMGFH-FRRDWIJNSA-N 2 2 297.403 -0.583 20 0 CBADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CCc2ncn(C)n2)C[C@H](C)O1 ZINC000564722022 354715998 /nfs/dbraw/zinc/71/59/98/354715998.db2.gz IBMYRXVPNLMGFH-FRRDWIJNSA-N 2 2 297.403 -0.583 20 0 CBADLP CO[C@@H](C[NH3+])CC(=O)NCCNc1cccc[nH+]1 ZINC000564915410 354720076 /nfs/dbraw/zinc/72/00/76/354720076.db2.gz MVGUIRCSLWCHRA-SNVBAGLBSA-N 2 2 252.318 -0.027 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC[C@@H]([NH3+])C[C@@H]1C ZINC000565155091 354729056 /nfs/dbraw/zinc/72/90/56/354729056.db2.gz CWDUCZPYDKAGQJ-NWDGAFQWSA-N 2 2 284.404 -0.219 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CC[C@@H]([NH3+])C[C@@H]1C ZINC000565155091 354729057 /nfs/dbraw/zinc/72/90/57/354729057.db2.gz CWDUCZPYDKAGQJ-NWDGAFQWSA-N 2 2 284.404 -0.219 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC[C@H]([NH3+])C[C@H]1C ZINC000565155090 354729332 /nfs/dbraw/zinc/72/93/32/354729332.db2.gz CWDUCZPYDKAGQJ-NEPJUHHUSA-N 2 2 284.404 -0.219 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CC[C@H]([NH3+])C[C@H]1C ZINC000565155090 354729335 /nfs/dbraw/zinc/72/93/35/354729335.db2.gz CWDUCZPYDKAGQJ-NEPJUHHUSA-N 2 2 284.404 -0.219 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)CCn1cccn1 ZINC000565167222 354730103 /nfs/dbraw/zinc/73/01/03/354730103.db2.gz WZJBMRNTVGEGCW-ZDUSSCGKSA-N 2 2 270.377 -0.246 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)CCn1cccn1 ZINC000565167222 354730106 /nfs/dbraw/zinc/73/01/06/354730106.db2.gz WZJBMRNTVGEGCW-ZDUSSCGKSA-N 2 2 270.377 -0.246 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)CCn1cccn1 ZINC000565167222 354730111 /nfs/dbraw/zinc/73/01/11/354730111.db2.gz WZJBMRNTVGEGCW-ZDUSSCGKSA-N 2 2 270.377 -0.246 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)CCn1cccn1 ZINC000565167222 354730113 /nfs/dbraw/zinc/73/01/13/354730113.db2.gz WZJBMRNTVGEGCW-ZDUSSCGKSA-N 2 2 270.377 -0.246 20 0 CBADLP Cn1ncc2c1C[C@@H](C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])CC2 ZINC000565891584 354747724 /nfs/dbraw/zinc/74/77/24/354747724.db2.gz SGCNNWVNDFHVPH-AAEUAGOBSA-N 2 2 291.399 -0.374 20 0 CBADLP CCC[C@H](C(=O)OCC)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000565844355 354747930 /nfs/dbraw/zinc/74/79/30/354747930.db2.gz ZSMHMKIAAHKLOS-IJLUTSLNSA-N 2 2 283.372 -0.038 20 0 CBADLP CCC[C@H](C(=O)OCC)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000565844355 354747933 /nfs/dbraw/zinc/74/79/33/354747933.db2.gz ZSMHMKIAAHKLOS-IJLUTSLNSA-N 2 2 283.372 -0.038 20 0 CBADLP Cn1cc(CCC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cn1 ZINC000566008415 354750975 /nfs/dbraw/zinc/75/09/75/354750975.db2.gz DXUBZEVXCGJYHC-GFCCVEGCSA-N 2 2 265.361 -0.546 20 0 CBADLP Cn1cc(CCC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cn1 ZINC000566008415 354750979 /nfs/dbraw/zinc/75/09/79/354750979.db2.gz DXUBZEVXCGJYHC-GFCCVEGCSA-N 2 2 265.361 -0.546 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000566068089 354752100 /nfs/dbraw/zinc/75/21/00/354752100.db2.gz RAVQENQEHOWIES-NWDGAFQWSA-N 2 2 284.404 -0.314 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000566068089 354752101 /nfs/dbraw/zinc/75/21/01/354752101.db2.gz RAVQENQEHOWIES-NWDGAFQWSA-N 2 2 284.404 -0.314 20 0 CBADLP Cc1cc(COCC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])on1 ZINC000566200540 354756719 /nfs/dbraw/zinc/75/67/19/354756719.db2.gz ZKRHDUQILBNQAQ-LLVKDONJSA-N 2 2 282.344 -0.399 20 0 CBADLP Cc1cc(COCC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])on1 ZINC000566200540 354756723 /nfs/dbraw/zinc/75/67/23/354756723.db2.gz ZKRHDUQILBNQAQ-LLVKDONJSA-N 2 2 282.344 -0.399 20 0 CBADLP CN(Cc1[nH+]ccn1C)C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000566250954 354759830 /nfs/dbraw/zinc/75/98/30/354759830.db2.gz JVNBTXJUNNPADG-LLVKDONJSA-N 2 2 293.371 -0.363 20 0 CBADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)CCC[NH3+])CC1 ZINC000566251797 354760685 /nfs/dbraw/zinc/76/06/85/354760685.db2.gz WWWAELXYUOLKCS-UHFFFAOYSA-N 2 2 270.377 -0.604 20 0 CBADLP CCNC(=O)C[N@H+]1CCCN(C(=O)CCC[NH3+])CC1 ZINC000566251797 354760688 /nfs/dbraw/zinc/76/06/88/354760688.db2.gz WWWAELXYUOLKCS-UHFFFAOYSA-N 2 2 270.377 -0.604 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000566560081 354770962 /nfs/dbraw/zinc/77/09/62/354770962.db2.gz CIBZUXQGLCSNGE-RYUDHWBXSA-N 2 2 284.404 -0.362 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000566560081 354770965 /nfs/dbraw/zinc/77/09/65/354770965.db2.gz CIBZUXQGLCSNGE-RYUDHWBXSA-N 2 2 284.404 -0.362 20 0 CBADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CC[NH+](C)C[C@H]1C[NH3+] ZINC000567096265 354780219 /nfs/dbraw/zinc/78/02/19/354780219.db2.gz LESFQKBCMYEMDS-BNOWGMLFSA-N 3 2 295.431 -0.247 20 0 CBADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CC[NH+](C)C[C@H]1C[NH3+] ZINC000567096265 354780224 /nfs/dbraw/zinc/78/02/24/354780224.db2.gz LESFQKBCMYEMDS-BNOWGMLFSA-N 3 2 295.431 -0.247 20 0 CBADLP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000567096265 354780228 /nfs/dbraw/zinc/78/02/28/354780228.db2.gz LESFQKBCMYEMDS-BNOWGMLFSA-N 3 2 295.431 -0.247 20 0 CBADLP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000567096265 354780232 /nfs/dbraw/zinc/78/02/32/354780232.db2.gz LESFQKBCMYEMDS-BNOWGMLFSA-N 3 2 295.431 -0.247 20 0 CBADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CC[NH+](C)C[C@H]1C[NH3+] ZINC000567096267 354780698 /nfs/dbraw/zinc/78/06/98/354780698.db2.gz LESFQKBCMYEMDS-MRVWCRGKSA-N 3 2 295.431 -0.247 20 0 CBADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CC[NH+](C)C[C@H]1C[NH3+] ZINC000567096267 354780700 /nfs/dbraw/zinc/78/07/00/354780700.db2.gz LESFQKBCMYEMDS-MRVWCRGKSA-N 3 2 295.431 -0.247 20 0 CBADLP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000567096267 354780701 /nfs/dbraw/zinc/78/07/01/354780701.db2.gz LESFQKBCMYEMDS-MRVWCRGKSA-N 3 2 295.431 -0.247 20 0 CBADLP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000567096267 354780703 /nfs/dbraw/zinc/78/07/03/354780703.db2.gz LESFQKBCMYEMDS-MRVWCRGKSA-N 3 2 295.431 -0.247 20 0 CBADLP CO[C@@H](C[NH3+])CC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000567169354 354782493 /nfs/dbraw/zinc/78/24/93/354782493.db2.gz MZYONVYNNKHMNV-WDEREUQCSA-N 2 2 259.350 -0.813 20 0 CBADLP CO[C@@H](C[NH3+])CC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000567169354 354782494 /nfs/dbraw/zinc/78/24/94/354782494.db2.gz MZYONVYNNKHMNV-WDEREUQCSA-N 2 2 259.350 -0.813 20 0 CBADLP C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C)[NH+]1CCN(C)CC1 ZINC000567353304 354785504 /nfs/dbraw/zinc/78/55/04/354785504.db2.gz LMSBPFJQGPIAFF-OLZOCXBDSA-N 2 2 268.405 -0.167 20 0 CBADLP C[C@@H](CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])[NH+](C)C ZINC000567478680 354788939 /nfs/dbraw/zinc/78/89/39/354788939.db2.gz NFQRFZOYNDQLEY-QWRGUYRKSA-N 3 2 257.382 -0.779 20 0 CBADLP C[C@@H](CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])[NH+](C)C ZINC000567478680 354788943 /nfs/dbraw/zinc/78/89/43/354788943.db2.gz NFQRFZOYNDQLEY-QWRGUYRKSA-N 3 2 257.382 -0.779 20 0 CBADLP CCC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000565240308 354734722 /nfs/dbraw/zinc/73/47/22/354734722.db2.gz UUZHAKANLNOLGP-WUHRBBMRSA-N 2 2 296.415 -0.077 20 0 CBADLP CCC[C@H](C)NC(=O)[C@H](C)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000565240308 354734724 /nfs/dbraw/zinc/73/47/24/354734724.db2.gz UUZHAKANLNOLGP-WUHRBBMRSA-N 2 2 296.415 -0.077 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)CCO1 ZINC000565424011 354738248 /nfs/dbraw/zinc/73/82/48/354738248.db2.gz VFYXSXVSSXWLTQ-UTUOFQBUSA-N 2 2 271.361 -0.670 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)CCO1 ZINC000565424011 354738249 /nfs/dbraw/zinc/73/82/49/354738249.db2.gz VFYXSXVSSXWLTQ-UTUOFQBUSA-N 2 2 271.361 -0.670 20 0 CBADLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)C(=O)NC1C[NH2+]C1 ZINC000565471951 354739018 /nfs/dbraw/zinc/73/90/18/354739018.db2.gz ZSODGHDZJILWRT-UHFFFAOYSA-N 2 2 299.334 -0.424 20 0 CBADLP C[N@H+](CC(=O)N1CC[NH2+]CC1)C[C@]1(C)CC[NH2+]C1 ZINC000567864915 354801534 /nfs/dbraw/zinc/80/15/34/354801534.db2.gz ZBEWNAJZRIRPMV-CYBMUJFWSA-N 3 2 254.378 -0.650 20 0 CBADLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)C[C@]1(C)CC[NH2+]C1 ZINC000567864915 354801537 /nfs/dbraw/zinc/80/15/37/354801537.db2.gz ZBEWNAJZRIRPMV-CYBMUJFWSA-N 3 2 254.378 -0.650 20 0 CBADLP C[NH2+]C[C@@H]1CCC[N@H+](CC(=O)NCCC(=O)OC)C1 ZINC000567893702 354803671 /nfs/dbraw/zinc/80/36/71/354803671.db2.gz MHHHFXHTPUBSOM-NSHDSACASA-N 2 2 271.361 -0.403 20 0 CBADLP C[NH2+]C[C@@H]1CCC[N@@H+](CC(=O)NCCC(=O)OC)C1 ZINC000567893702 354803673 /nfs/dbraw/zinc/80/36/73/354803673.db2.gz MHHHFXHTPUBSOM-NSHDSACASA-N 2 2 271.361 -0.403 20 0 CBADLP C[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)C1(S(C)(=O)=O)CC1 ZINC000568859888 354833219 /nfs/dbraw/zinc/83/32/19/354833219.db2.gz ZTDDODNUTBLHEN-ZYHUDNBSSA-N 2 2 290.429 -0.003 20 0 CBADLP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)C1(S(C)(=O)=O)CC1 ZINC000568859888 354833220 /nfs/dbraw/zinc/83/32/20/354833220.db2.gz ZTDDODNUTBLHEN-ZYHUDNBSSA-N 2 2 290.429 -0.003 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]([NH3+])CC(F)F)CCO1 ZINC000567966307 354805652 /nfs/dbraw/zinc/80/56/52/354805652.db2.gz DYAHWIGTPZCEPQ-BDAKNGLRSA-N 2 2 265.304 -0.194 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]([NH3+])CC(F)F)CCO1 ZINC000567966307 354805654 /nfs/dbraw/zinc/80/56/54/354805654.db2.gz DYAHWIGTPZCEPQ-BDAKNGLRSA-N 2 2 265.304 -0.194 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)[C@@H]([NH3+])CC(F)F)CCO1 ZINC000567966309 354805669 /nfs/dbraw/zinc/80/56/69/354805669.db2.gz DYAHWIGTPZCEPQ-IUCAKERBSA-N 2 2 265.304 -0.194 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)[C@@H]([NH3+])CC(F)F)CCO1 ZINC000567966309 354805673 /nfs/dbraw/zinc/80/56/73/354805673.db2.gz DYAHWIGTPZCEPQ-IUCAKERBSA-N 2 2 265.304 -0.194 20 0 CBADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@]23C[C@H]2CC[NH2+]3)CC1 ZINC000567983001 354807326 /nfs/dbraw/zinc/80/73/26/354807326.db2.gz FWZBAQYIJRHDSE-YGRLFVJLSA-N 2 2 280.372 -0.854 20 0 CBADLP CC[N@H+](C)C[C@@H](O)CN1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000568168254 354813263 /nfs/dbraw/zinc/81/32/63/354813263.db2.gz BKDNHFUGFXBZDL-CYBMUJFWSA-N 2 2 281.404 -0.160 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)CN1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000568168254 354813265 /nfs/dbraw/zinc/81/32/65/354813265.db2.gz BKDNHFUGFXBZDL-CYBMUJFWSA-N 2 2 281.404 -0.160 20 0 CBADLP CCCCCNC(=O)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000568268298 354819408 /nfs/dbraw/zinc/81/94/08/354819408.db2.gz UTNDWLKTXVWARF-NEPJUHHUSA-N 2 2 282.388 -0.463 20 0 CBADLP CCCCCNC(=O)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000568268298 354819412 /nfs/dbraw/zinc/81/94/12/354819412.db2.gz UTNDWLKTXVWARF-NEPJUHHUSA-N 2 2 282.388 -0.463 20 0 CBADLP CC[C@H](C)NC(=O)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000568267737 354819486 /nfs/dbraw/zinc/81/94/86/354819486.db2.gz MBIHYAPLEKBXTK-DCAQKATOSA-N 2 2 268.361 -0.855 20 0 CBADLP CC[C@H](C)NC(=O)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000568267737 354819488 /nfs/dbraw/zinc/81/94/88/354819488.db2.gz MBIHYAPLEKBXTK-DCAQKATOSA-N 2 2 268.361 -0.855 20 0 CBADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@H]([NH3+])C2CCC2)CC1 ZINC000568387106 354822834 /nfs/dbraw/zinc/82/28/34/354822834.db2.gz NNUJEENGOHNTJE-LLVKDONJSA-N 2 2 282.388 -0.478 20 0 CBADLP CCN1C[C@H]([NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)CC1=O ZINC000567640482 354792918 /nfs/dbraw/zinc/79/29/18/354792918.db2.gz MHFSNCRCOIQSLF-YRGRVCCFSA-N 2 2 267.373 -0.036 20 0 CBADLP C[N@@H+]1CCN(C(=O)N[C@H]2CCC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000567715604 354794341 /nfs/dbraw/zinc/79/43/41/354794341.db2.gz KJQHLRZFEZDMOF-WDEREUQCSA-N 3 2 255.366 -0.977 20 0 CBADLP C[N@H+]1CCN(C(=O)N[C@H]2CCC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000567715604 354794344 /nfs/dbraw/zinc/79/43/44/354794344.db2.gz KJQHLRZFEZDMOF-WDEREUQCSA-N 3 2 255.366 -0.977 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)c1cn(CCC[NH3+])nn1 ZINC000567779315 354797278 /nfs/dbraw/zinc/79/72/78/354797278.db2.gz GVNXFIWLXSPQMI-NSHDSACASA-N 2 2 296.375 -0.923 20 0 CBADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@@H]2CCC(=O)N[C@H]2C)C[C@@H](C)O1 ZINC000570938140 354872635 /nfs/dbraw/zinc/87/26/35/354872635.db2.gz GURJFOSSDRIVSR-RKQHYHRCSA-N 2 2 299.415 -0.287 20 0 CBADLP CNS(=O)(=O)[C@@H]1CCC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000570928167 354872663 /nfs/dbraw/zinc/87/26/63/354872663.db2.gz UBZSLDCSGAYZGW-VXGBXAGGSA-N 2 2 275.418 0.000 20 0 CBADLP CNS(=O)(=O)[C@@H]1CCC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000570928167 354872666 /nfs/dbraw/zinc/87/26/66/354872666.db2.gz UBZSLDCSGAYZGW-VXGBXAGGSA-N 2 2 275.418 0.000 20 0 CBADLP CN1CC[NH2+]C[C@@H]1CNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000570931503 354872835 /nfs/dbraw/zinc/87/28/35/354872835.db2.gz SSJRTKYTGASQBB-CYBMUJFWSA-N 2 2 287.367 -0.103 20 0 CBADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+][C@@H]2CCC(=O)N[C@@H]2C)C[C@H](C)O1 ZINC000570938141 354873664 /nfs/dbraw/zinc/87/36/64/354873664.db2.gz GURJFOSSDRIVSR-XVIXHAIJSA-N 2 2 299.415 -0.287 20 0 CBADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+][C@@H]2CCC(=O)N[C@@H]2C)C[C@H](C)O1 ZINC000570938141 354873667 /nfs/dbraw/zinc/87/36/67/354873667.db2.gz GURJFOSSDRIVSR-XVIXHAIJSA-N 2 2 299.415 -0.287 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000568988408 354835696 /nfs/dbraw/zinc/83/56/96/354835696.db2.gz SCXYKWNVTDFHIQ-MNOVXSKESA-N 2 2 272.393 -0.315 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000568988408 354835701 /nfs/dbraw/zinc/83/57/01/354835701.db2.gz SCXYKWNVTDFHIQ-MNOVXSKESA-N 2 2 272.393 -0.315 20 0 CBADLP C[C@H](C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)[NH+]1CCN(C)CC1 ZINC000571683544 354878101 /nfs/dbraw/zinc/87/81/01/354878101.db2.gz SUUSAPSZEUDOLB-HZSPNIEDSA-N 2 2 280.416 -0.167 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@](C)(C(N)=O)C1 ZINC000569235184 354841240 /nfs/dbraw/zinc/84/12/40/354841240.db2.gz QLOSHDSTWBXJCQ-AAEUAGOBSA-N 2 2 273.377 -0.877 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@](C)(C(N)=O)C1 ZINC000569235184 354841241 /nfs/dbraw/zinc/84/12/41/354841241.db2.gz QLOSHDSTWBXJCQ-AAEUAGOBSA-N 2 2 273.377 -0.877 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@](C)(C(N)=O)C1 ZINC000569235184 354841242 /nfs/dbraw/zinc/84/12/42/354841242.db2.gz QLOSHDSTWBXJCQ-AAEUAGOBSA-N 2 2 273.377 -0.877 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@](C)(C(N)=O)C1 ZINC000569235184 354841243 /nfs/dbraw/zinc/84/12/43/354841243.db2.gz QLOSHDSTWBXJCQ-AAEUAGOBSA-N 2 2 273.377 -0.877 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N(C)CCC[NH+](C)C)CC1 ZINC000569315879 354842134 /nfs/dbraw/zinc/84/21/34/354842134.db2.gz HEHWHWFRXREDAP-UHFFFAOYSA-N 2 2 284.404 -0.439 20 0 CBADLP C[C@H]1C[C@H]([NH2+]CCC(=O)NC(N)=O)C[N@@H+]1C1CC1 ZINC000569332597 354842867 /nfs/dbraw/zinc/84/28/67/354842867.db2.gz YJRWIPGGGHSWMI-IUCAKERBSA-N 2 2 254.334 -0.214 20 0 CBADLP C[C@H]1C[C@H]([NH2+]CCC(=O)NC(N)=O)C[N@H+]1C1CC1 ZINC000569332597 354842872 /nfs/dbraw/zinc/84/28/72/354842872.db2.gz YJRWIPGGGHSWMI-IUCAKERBSA-N 2 2 254.334 -0.214 20 0 CBADLP COC(=O)C[C@H]([NH3+])C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000569924384 354849527 /nfs/dbraw/zinc/84/95/27/354849527.db2.gz WVORATKKHMQVEU-BDAKNGLRSA-N 2 2 254.290 -0.722 20 0 CBADLP C[NH2+]C[C@@](C)(O)CN1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000569935076 354850440 /nfs/dbraw/zinc/85/04/40/354850440.db2.gz YRKDLFKYAUTLLH-CQSZACIVSA-N 2 2 279.388 -0.123 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC(C)(COC)C1 ZINC000571776654 354879853 /nfs/dbraw/zinc/87/98/53/354879853.db2.gz IYCZHPDAKPUGQF-GFCCVEGCSA-N 2 2 260.378 -0.106 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)CC2(C[NH3+])CC2)CCO1 ZINC000570096539 354854569 /nfs/dbraw/zinc/85/45/69/354854569.db2.gz NVKDPHZIKMXJDO-NSHDSACASA-N 2 2 255.362 -0.048 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)CC2(C[NH3+])CC2)CCO1 ZINC000570096539 354854573 /nfs/dbraw/zinc/85/45/73/354854573.db2.gz NVKDPHZIKMXJDO-NSHDSACASA-N 2 2 255.362 -0.048 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC(C)(COC)C1 ZINC000571776654 354879855 /nfs/dbraw/zinc/87/98/55/354879855.db2.gz IYCZHPDAKPUGQF-GFCCVEGCSA-N 2 2 260.378 -0.106 20 0 CBADLP O=S1(=O)CCCN1CC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000570222655 354857921 /nfs/dbraw/zinc/85/79/21/354857921.db2.gz WKWZLBDMZRYHLY-UHFFFAOYSA-N 2 2 299.400 -0.433 20 0 CBADLP Nc1[nH+]cnc(N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c1Cl ZINC000570464612 354862887 /nfs/dbraw/zinc/86/28/87/354862887.db2.gz SGDVQMJMIISRND-RQJHMYQMSA-N 2 2 282.735 -0.540 20 0 CBADLP Nc1nc[nH+]c(N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c1Cl ZINC000570464612 354862888 /nfs/dbraw/zinc/86/28/88/354862888.db2.gz SGDVQMJMIISRND-RQJHMYQMSA-N 2 2 282.735 -0.540 20 0 CBADLP Cn1cc(N2CCC[C@H]([N@H+](C)C[C@H](O)C[NH3+])C2=O)cn1 ZINC000570520245 354864126 /nfs/dbraw/zinc/86/41/26/354864126.db2.gz UWMFXQSHUMEXKS-NEPJUHHUSA-N 2 2 281.360 -0.833 20 0 CBADLP Cn1cc(N2CCC[C@H]([N@@H+](C)C[C@H](O)C[NH3+])C2=O)cn1 ZINC000570520245 354864129 /nfs/dbraw/zinc/86/41/29/354864129.db2.gz UWMFXQSHUMEXKS-NEPJUHHUSA-N 2 2 281.360 -0.833 20 0 CBADLP CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000572180303 354888225 /nfs/dbraw/zinc/88/82/25/354888225.db2.gz UOTVOZOHBWUUCK-GRYCIOLGSA-N 2 2 282.388 -0.515 20 0 CBADLP CC(C)N(C)C(=O)[C@@H](C)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000572180303 354888228 /nfs/dbraw/zinc/88/82/28/354888228.db2.gz UOTVOZOHBWUUCK-GRYCIOLGSA-N 2 2 282.388 -0.515 20 0 CBADLP CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000572180304 354888450 /nfs/dbraw/zinc/88/84/50/354888450.db2.gz UOTVOZOHBWUUCK-IJLUTSLNSA-N 2 2 282.388 -0.515 20 0 CBADLP CC(C)N(C)C(=O)[C@@H](C)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000572180304 354888454 /nfs/dbraw/zinc/88/84/54/354888454.db2.gz UOTVOZOHBWUUCK-IJLUTSLNSA-N 2 2 282.388 -0.515 20 0 CBADLP C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CC(=O)NC(C)C)C1 ZINC000572241327 354889606 /nfs/dbraw/zinc/88/96/06/354889606.db2.gz USGVACIGDLTUAM-LLVKDONJSA-N 2 2 270.377 -0.737 20 0 CBADLP C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CC(=O)NC(C)C)C1 ZINC000572241327 354889609 /nfs/dbraw/zinc/88/96/09/354889609.db2.gz USGVACIGDLTUAM-LLVKDONJSA-N 2 2 270.377 -0.737 20 0 CBADLP C[C@@H]1C[N@H+](CCO)CCN1C(=O)C[NH+]1CC(C)(C)C1 ZINC000572496431 354892047 /nfs/dbraw/zinc/89/20/47/354892047.db2.gz MCUKQZNLRZSHJU-GFCCVEGCSA-N 2 2 269.389 -0.147 20 0 CBADLP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)C[NH+]1CC(C)(C)C1 ZINC000572496431 354892051 /nfs/dbraw/zinc/89/20/51/354892051.db2.gz MCUKQZNLRZSHJU-GFCCVEGCSA-N 2 2 269.389 -0.147 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](OCCO)C1 ZINC000572732005 354896261 /nfs/dbraw/zinc/89/62/61/354896261.db2.gz MJSSJOQMTAVEAE-STQMWFEESA-N 2 2 260.378 -0.228 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](OCCO)C1 ZINC000572732005 354896262 /nfs/dbraw/zinc/89/62/62/354896262.db2.gz MJSSJOQMTAVEAE-STQMWFEESA-N 2 2 260.378 -0.228 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](OCCO)C1 ZINC000572732005 354896263 /nfs/dbraw/zinc/89/62/63/354896263.db2.gz MJSSJOQMTAVEAE-STQMWFEESA-N 2 2 260.378 -0.228 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](OCCO)C1 ZINC000572732005 354896264 /nfs/dbraw/zinc/89/62/64/354896264.db2.gz MJSSJOQMTAVEAE-STQMWFEESA-N 2 2 260.378 -0.228 20 0 CBADLP CN(C)c1ncc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)s1 ZINC000572781216 354898133 /nfs/dbraw/zinc/89/81/33/354898133.db2.gz FWILYOVWELCANV-ONGXEEELSA-N 2 2 295.412 -0.047 20 0 CBADLP CN(C)c1ncc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)s1 ZINC000572781216 354898134 /nfs/dbraw/zinc/89/81/34/354898134.db2.gz FWILYOVWELCANV-ONGXEEELSA-N 2 2 295.412 -0.047 20 0 CBADLP COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000573337212 354910267 /nfs/dbraw/zinc/91/02/67/354910267.db2.gz JTSXSPQYAPVWKT-PWSUYJOCSA-N 2 2 294.355 -0.048 20 0 CBADLP COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000573337212 354910274 /nfs/dbraw/zinc/91/02/74/354910274.db2.gz JTSXSPQYAPVWKT-PWSUYJOCSA-N 2 2 294.355 -0.048 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](OCCO)C1 ZINC000573455822 354912878 /nfs/dbraw/zinc/91/28/78/354912878.db2.gz RBHVZJJCGYWMMB-UONOGXRCSA-N 2 2 290.404 -0.601 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](OCCO)C1 ZINC000573455822 354912881 /nfs/dbraw/zinc/91/28/81/354912881.db2.gz RBHVZJJCGYWMMB-UONOGXRCSA-N 2 2 290.404 -0.601 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](OCCO)C1 ZINC000573455822 354912883 /nfs/dbraw/zinc/91/28/83/354912883.db2.gz RBHVZJJCGYWMMB-UONOGXRCSA-N 2 2 290.404 -0.601 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](OCCO)C1 ZINC000573455822 354912886 /nfs/dbraw/zinc/91/28/86/354912886.db2.gz RBHVZJJCGYWMMB-UONOGXRCSA-N 2 2 290.404 -0.601 20 0 CBADLP C[NH+](C)CC(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000573606312 354916597 /nfs/dbraw/zinc/91/65/97/354916597.db2.gz QRNSWRYXXZWPLO-UHFFFAOYSA-N 2 2 268.405 -0.119 20 0 CBADLP C[N@@H+]1CCN(C(=O)CNC(=O)c2cccs2)[C@@H](C[NH3+])C1 ZINC000573843613 354922777 /nfs/dbraw/zinc/92/27/77/354922777.db2.gz UHFRXLXVUIZYQK-JTQLQIEISA-N 2 2 296.396 -0.421 20 0 CBADLP C[N@H+]1CCN(C(=O)CNC(=O)c2cccs2)[C@@H](C[NH3+])C1 ZINC000573843613 354922779 /nfs/dbraw/zinc/92/27/79/354922779.db2.gz UHFRXLXVUIZYQK-JTQLQIEISA-N 2 2 296.396 -0.421 20 0 CBADLP CO[C@@H]1CC[C@@H](NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])C1 ZINC000574023978 354926456 /nfs/dbraw/zinc/92/64/56/354926456.db2.gz GYMMKMCEOMKMIW-IJLUTSLNSA-N 2 2 270.377 -0.162 20 0 CBADLP COC(=O)C[C@H]([NH3+])C(=O)NCCCC[NH+]1CCOCC1 ZINC000574197778 354930560 /nfs/dbraw/zinc/93/05/60/354930560.db2.gz ZLRSHIRVIVPBFG-NSHDSACASA-N 2 2 287.360 -0.895 20 0 CBADLP C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCC[NH+]1CCOCC1 ZINC000575044111 354933224 /nfs/dbraw/zinc/93/32/24/354933224.db2.gz HKXOTFDDDPPRAP-GHMZBOCLSA-N 2 2 258.366 -0.256 20 0 CBADLP CC[C@H](CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])OC ZINC000578226909 354942334 /nfs/dbraw/zinc/94/23/34/354942334.db2.gz PQTZAIOHLQWKOL-WDEREUQCSA-N 2 2 258.366 -0.304 20 0 CBADLP CC[C@H](CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])OC ZINC000578226909 354942336 /nfs/dbraw/zinc/94/23/36/354942336.db2.gz PQTZAIOHLQWKOL-WDEREUQCSA-N 2 2 258.366 -0.304 20 0 CBADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)CC[C@@H](C)[NH3+])CC1 ZINC000578324583 354944153 /nfs/dbraw/zinc/94/41/53/354944153.db2.gz OSFMGFKNLSPDFI-GFCCVEGCSA-N 2 2 284.404 -0.216 20 0 CBADLP CCNC(=O)C[N@H+]1CCCN(C(=O)CC[C@@H](C)[NH3+])CC1 ZINC000578324583 354944158 /nfs/dbraw/zinc/94/41/58/354944158.db2.gz OSFMGFKNLSPDFI-GFCCVEGCSA-N 2 2 284.404 -0.216 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000579123172 354963173 /nfs/dbraw/zinc/96/31/73/354963173.db2.gz NQAJCNSNQMRHST-BXKDBHETSA-N 2 2 254.334 -0.355 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000579123172 354963177 /nfs/dbraw/zinc/96/31/77/354963177.db2.gz NQAJCNSNQMRHST-BXKDBHETSA-N 2 2 254.334 -0.355 20 0 CBADLP C[N@@H+]1CCN(C(=O)N[C@@H]2COCC2(C)C)[C@H](C[NH3+])C1 ZINC000579212143 354964190 /nfs/dbraw/zinc/96/41/90/354964190.db2.gz BUBXOAZZXHFDLE-GHMZBOCLSA-N 2 2 270.377 -0.304 20 0 CBADLP C[N@H+]1CCN(C(=O)N[C@@H]2COCC2(C)C)[C@H](C[NH3+])C1 ZINC000579212143 354964193 /nfs/dbraw/zinc/96/41/93/354964193.db2.gz BUBXOAZZXHFDLE-GHMZBOCLSA-N 2 2 270.377 -0.304 20 0 CBADLP C[NH2+]C[C@@](C)(O)C[NH+]1CCN(c2ncccn2)CC1 ZINC000579246657 354965943 /nfs/dbraw/zinc/96/59/43/354965943.db2.gz IPWWJLPFOCWURE-CYBMUJFWSA-N 2 2 265.361 -0.431 20 0 CBADLP C[N@@H+]1CCN(C(=O)COC[C@H]2CCCO2)[C@H](C[NH3+])C1 ZINC000579351362 354968026 /nfs/dbraw/zinc/96/80/26/354968026.db2.gz TTZNPAUNWGERGE-VXGBXAGGSA-N 2 2 271.361 -0.717 20 0 CBADLP C[N@H+]1CCN(C(=O)COC[C@H]2CCCO2)[C@H](C[NH3+])C1 ZINC000579351362 354968030 /nfs/dbraw/zinc/96/80/30/354968030.db2.gz TTZNPAUNWGERGE-VXGBXAGGSA-N 2 2 271.361 -0.717 20 0 CBADLP C[NH+](C)[C@H]1CCCN(C(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000579709165 354977050 /nfs/dbraw/zinc/97/70/50/354977050.db2.gz XLTXFUOECXZLAN-LBPRGKRZSA-N 2 2 282.388 -0.639 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(C(=O)NC)CC1 ZINC000579727317 354977350 /nfs/dbraw/zinc/97/73/50/354977350.db2.gz FQDCMRAPYZMQSI-LBPRGKRZSA-N 2 2 257.378 -0.243 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(C(=O)NC)CC1 ZINC000579727317 354977351 /nfs/dbraw/zinc/97/73/51/354977351.db2.gz FQDCMRAPYZMQSI-LBPRGKRZSA-N 2 2 257.378 -0.243 20 0 CBADLP C[C@@H]1CC[N@H+](CC(=O)NCC[NH+]2CCOCC2)C1 ZINC000579866222 354982476 /nfs/dbraw/zinc/98/24/76/354982476.db2.gz ZBXNFCSPDXMUNH-GFCCVEGCSA-N 2 2 255.362 -0.223 20 0 CBADLP C[N@H+]1CCN(C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)[C@H](C[NH3+])C1 ZINC000580053726 354985642 /nfs/dbraw/zinc/98/56/42/354985642.db2.gz JYKYIZMXVKKGLF-ZYHUDNBSSA-N 2 2 295.387 -0.966 20 0 CBADLP C[C@@H](C(=O)N1CC[C@]2(CC[NH2+]C2)C1)[NH+]1CCN(C)CC1 ZINC000581012801 355003435 /nfs/dbraw/zinc/00/34/35/355003435.db2.gz VPXNITHJOXJSBT-ZFWWWQNUSA-N 2 2 280.416 -0.166 20 0 CBADLP COC[C@H](NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])C(C)C ZINC000580704196 354995602 /nfs/dbraw/zinc/99/56/02/354995602.db2.gz QODXZNRSTVIGEZ-NEPJUHHUSA-N 2 2 272.393 -0.058 20 0 CBADLP COC[C@H](NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])C(C)C ZINC000580704196 354995606 /nfs/dbraw/zinc/99/56/06/354995606.db2.gz QODXZNRSTVIGEZ-NEPJUHHUSA-N 2 2 272.393 -0.058 20 0 CBADLP C[N@@H+]1CCN(C(=O)N[C@H]2CC[NH+](C3CC3)C2)[C@@H](C[NH3+])C1 ZINC000584519392 355031349 /nfs/dbraw/zinc/03/13/49/355031349.db2.gz HMVKFYNNQVCAMP-AAEUAGOBSA-N 3 2 281.404 -0.493 20 0 CBADLP C[N@H+]1CCN(C(=O)N[C@H]2CC[NH+](C3CC3)C2)[C@@H](C[NH3+])C1 ZINC000584519392 355031351 /nfs/dbraw/zinc/03/13/51/355031351.db2.gz HMVKFYNNQVCAMP-AAEUAGOBSA-N 3 2 281.404 -0.493 20 0 CBADLP C[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)[C@@H](C[NH3+])C1 ZINC000584519392 355031353 /nfs/dbraw/zinc/03/13/53/355031353.db2.gz HMVKFYNNQVCAMP-AAEUAGOBSA-N 3 2 281.404 -0.493 20 0 CBADLP C[NH+]1CCN(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)[C@@H](C[NH3+])C1 ZINC000584519392 355031355 /nfs/dbraw/zinc/03/13/55/355031355.db2.gz HMVKFYNNQVCAMP-AAEUAGOBSA-N 3 2 281.404 -0.493 20 0 CBADLP CC(C)C[C@H]([NH3+])C[NH2+][C@H]1CCN(S(C)(=O)=O)C1 ZINC000584622893 355033796 /nfs/dbraw/zinc/03/37/96/355033796.db2.gz SMMKKMIUCXIPKT-QWRGUYRKSA-N 2 2 263.407 -0.017 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CCC[C@H](C[NH3+])C1 ZINC000584779405 355037143 /nfs/dbraw/zinc/03/71/43/355037143.db2.gz OHTWZWVMUMQEMF-GFCCVEGCSA-N 2 2 284.404 -0.360 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CCC[C@H](C[NH3+])C1 ZINC000584779405 355037145 /nfs/dbraw/zinc/03/71/45/355037145.db2.gz OHTWZWVMUMQEMF-GFCCVEGCSA-N 2 2 284.404 -0.360 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000584779406 355037148 /nfs/dbraw/zinc/03/71/48/355037148.db2.gz OHTWZWVMUMQEMF-LBPRGKRZSA-N 2 2 284.404 -0.360 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000584779406 355037152 /nfs/dbraw/zinc/03/71/52/355037152.db2.gz OHTWZWVMUMQEMF-LBPRGKRZSA-N 2 2 284.404 -0.360 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000584779161 355037483 /nfs/dbraw/zinc/03/74/83/355037483.db2.gz BRTZRMHUPLKPLI-RYUDHWBXSA-N 2 2 284.404 -0.443 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000584779161 355037487 /nfs/dbraw/zinc/03/74/87/355037487.db2.gz BRTZRMHUPLKPLI-RYUDHWBXSA-N 2 2 284.404 -0.443 20 0 CBADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@@H]2CC(=O)N(C)C2)C[C@@H](C)O1 ZINC000584834365 355039200 /nfs/dbraw/zinc/03/92/00/355039200.db2.gz KTTVIWCTTFAUGU-FDYHWXHSSA-N 2 2 285.388 -0.723 20 0 CBADLP CCOC(=O)CNC(=O)C1CC[NH+](C[C@@H](C)[NH3+])CC1 ZINC000584840232 355039966 /nfs/dbraw/zinc/03/99/66/355039966.db2.gz QRCLSRMXTAETOX-SNVBAGLBSA-N 2 2 271.361 -0.275 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)[C@@H]([NH3+])C2CCC2)CCO1 ZINC000582243747 355011366 /nfs/dbraw/zinc/01/13/66/355011366.db2.gz WOFPSLKSINXTHT-JQWIXIFHSA-N 2 2 255.362 -0.049 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)[C@@H]([NH3+])C2CCC2)CCO1 ZINC000582243747 355011369 /nfs/dbraw/zinc/01/13/69/355011369.db2.gz WOFPSLKSINXTHT-JQWIXIFHSA-N 2 2 255.362 -0.049 20 0 CBADLP CN(C)c1nccc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)n1 ZINC000582252723 355012603 /nfs/dbraw/zinc/01/26/03/355012603.db2.gz PPNNTFXCCITUEC-VXGBXAGGSA-N 2 2 290.371 -0.714 20 0 CBADLP CN(C)c1nccc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)n1 ZINC000582252723 355012608 /nfs/dbraw/zinc/01/26/08/355012608.db2.gz PPNNTFXCCITUEC-VXGBXAGGSA-N 2 2 290.371 -0.714 20 0 CBADLP CN(C)c1nccc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)n1 ZINC000582252720 355013088 /nfs/dbraw/zinc/01/30/88/355013088.db2.gz PPNNTFXCCITUEC-NEPJUHHUSA-N 2 2 290.371 -0.714 20 0 CBADLP CN(C)c1nccc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)n1 ZINC000582252720 355013091 /nfs/dbraw/zinc/01/30/91/355013091.db2.gz PPNNTFXCCITUEC-NEPJUHHUSA-N 2 2 290.371 -0.714 20 0 CBADLP COC[C@H](NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])C1CC1 ZINC000582350048 355014196 /nfs/dbraw/zinc/01/41/96/355014196.db2.gz JIROKJIRXKEBNL-RYUDHWBXSA-N 2 2 270.377 -0.304 20 0 CBADLP COC[C@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])C1CC1 ZINC000582350048 355014197 /nfs/dbraw/zinc/01/41/97/355014197.db2.gz JIROKJIRXKEBNL-RYUDHWBXSA-N 2 2 270.377 -0.304 20 0 CBADLP COC(=O)CCC[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000582312500 355014271 /nfs/dbraw/zinc/01/42/71/355014271.db2.gz ZUWNFFRPLHHRPY-VHSXEESVSA-N 2 2 255.318 -0.817 20 0 CBADLP COC(=O)CCC[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000582312500 355014272 /nfs/dbraw/zinc/01/42/72/355014272.db2.gz ZUWNFFRPLHHRPY-VHSXEESVSA-N 2 2 255.318 -0.817 20 0 CBADLP Cc1cc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)ncn1 ZINC000582370891 355014736 /nfs/dbraw/zinc/01/47/36/355014736.db2.gz CIFXPCSLKRKEGQ-VXGBXAGGSA-N 2 2 261.329 -0.471 20 0 CBADLP Cc1cc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)ncn1 ZINC000582370891 355014740 /nfs/dbraw/zinc/01/47/40/355014740.db2.gz CIFXPCSLKRKEGQ-VXGBXAGGSA-N 2 2 261.329 -0.471 20 0 CBADLP CC(C)CNC(=O)[C@H](C)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000583511187 355019088 /nfs/dbraw/zinc/01/90/88/355019088.db2.gz SGLCIVYLYXQWIM-TUAOUCFPSA-N 2 2 282.388 -0.609 20 0 CBADLP CC(C)CNC(=O)[C@H](C)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000583511187 355019090 /nfs/dbraw/zinc/01/90/90/355019090.db2.gz SGLCIVYLYXQWIM-TUAOUCFPSA-N 2 2 282.388 -0.609 20 0 CBADLP COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C)C2C[NH2+]C2)C1 ZINC000583870642 355023102 /nfs/dbraw/zinc/02/31/02/355023102.db2.gz HPXLQULHTNYFOW-NWDGAFQWSA-N 2 2 297.399 -0.157 20 0 CBADLP COC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@@H](C)C2C[NH2+]C2)C1 ZINC000583870642 355023105 /nfs/dbraw/zinc/02/31/05/355023105.db2.gz HPXLQULHTNYFOW-NWDGAFQWSA-N 2 2 297.399 -0.157 20 0 CBADLP Cc1noc(CCC[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)n1 ZINC000583883021 355024155 /nfs/dbraw/zinc/02/41/55/355024155.db2.gz CMTHMFVKZIZXSY-WDEREUQCSA-N 2 2 279.344 -0.446 20 0 CBADLP C[C@@H]1COCC[N@@H+]1C1CC[NH+](CCC(=O)NC(N)=O)CC1 ZINC000584003166 355027038 /nfs/dbraw/zinc/02/70/38/355027038.db2.gz XLYBTXQHBPYTMI-LLVKDONJSA-N 2 2 298.387 -0.244 20 0 CBADLP C[C@@H]1COCC[N@H+]1C1CC[NH+](CCC(=O)NC(N)=O)CC1 ZINC000584003166 355027039 /nfs/dbraw/zinc/02/70/39/355027039.db2.gz XLYBTXQHBPYTMI-LLVKDONJSA-N 2 2 298.387 -0.244 20 0 CBADLP COC(=O)[C@H]1C[C@@H](OC)C[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000583995140 355027678 /nfs/dbraw/zinc/02/76/78/355027678.db2.gz KZZMDTWVQPGENG-VXGBXAGGSA-N 2 2 299.371 -0.929 20 0 CBADLP COC(=O)[C@H]1C[C@@H](OC)C[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000583995140 355027682 /nfs/dbraw/zinc/02/76/82/355027682.db2.gz KZZMDTWVQPGENG-VXGBXAGGSA-N 2 2 299.371 -0.929 20 0 CBADLP C[C@H](NC(=O)c1ccoc1)C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000584051991 355028317 /nfs/dbraw/zinc/02/83/17/355028317.db2.gz DYOXVOKPPVAQCS-CMPLNLGQSA-N 2 2 294.355 -0.501 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000591432825 355095534 /nfs/dbraw/zinc/09/55/34/355095534.db2.gz YCNCQOSJVLTZAH-ZDUSSCGKSA-N 2 2 282.388 -0.782 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000591432825 355095536 /nfs/dbraw/zinc/09/55/36/355095536.db2.gz YCNCQOSJVLTZAH-ZDUSSCGKSA-N 2 2 282.388 -0.782 20 0 CBADLP COC(=O)[C@@H]1C[C@H](O)C[N@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000592529552 355159390 /nfs/dbraw/zinc/15/93/90/355159390.db2.gz LSLZCWOMMNOHSX-PWSUYJOCSA-N 2 2 296.371 -0.158 20 0 CBADLP COC(=O)[C@@H]1C[C@H](O)C[N@@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000592529552 355159391 /nfs/dbraw/zinc/15/93/91/355159391.db2.gz LSLZCWOMMNOHSX-PWSUYJOCSA-N 2 2 296.371 -0.158 20 0 CBADLP COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)C[NH2+]C2CC2)C1 ZINC000592278436 355146284 /nfs/dbraw/zinc/14/62/84/355146284.db2.gz VAQRHYVCNSAIIF-LLVKDONJSA-N 2 2 283.372 -0.260 20 0 CBADLP COC(=O)C[N@H+]1CCC[C@H](CNC(=O)C[NH2+]C2CC2)C1 ZINC000592278436 355146285 /nfs/dbraw/zinc/14/62/85/355146285.db2.gz VAQRHYVCNSAIIF-LLVKDONJSA-N 2 2 283.372 -0.260 20 0 CBADLP CNC(=O)NC(=O)C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000592471376 355155628 /nfs/dbraw/zinc/15/56/28/355155628.db2.gz ZPYHPQAWBIYLNR-UHFFFAOYSA-N 2 2 254.334 -0.342 20 0 CBADLP CNC(=O)NC(=O)C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000592471376 355155630 /nfs/dbraw/zinc/15/56/30/355155630.db2.gz ZPYHPQAWBIYLNR-UHFFFAOYSA-N 2 2 254.334 -0.342 20 0 CBADLP COC(=O)CN(CC[NH+]1CCOCC1)C[C@H]1CCC[N@@H+]1C ZINC000593013066 355189469 /nfs/dbraw/zinc/18/94/69/355189469.db2.gz ASOYVXNVWKKIHB-CQSZACIVSA-N 2 2 299.415 -0.112 20 0 CBADLP COC(=O)CN(CC[NH+]1CCOCC1)C[C@H]1CCC[N@H+]1C ZINC000593013066 355189471 /nfs/dbraw/zinc/18/94/71/355189471.db2.gz ASOYVXNVWKKIHB-CQSZACIVSA-N 2 2 299.415 -0.112 20 0 CBADLP CCOC(=O)CC[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593050566 355190854 /nfs/dbraw/zinc/19/08/54/355190854.db2.gz GFKAFFOBOOQEBT-UHFFFAOYSA-N 2 2 271.361 -0.355 20 0 CBADLP CCOC(=O)CC[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593050566 355190859 /nfs/dbraw/zinc/19/08/59/355190859.db2.gz GFKAFFOBOOQEBT-UHFFFAOYSA-N 2 2 271.361 -0.355 20 0 CBADLP CSC[C@@H](O)C[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593050827 355190920 /nfs/dbraw/zinc/19/09/20/355190920.db2.gz JJHINXKBTVTNTR-NSHDSACASA-N 2 2 275.418 -0.584 20 0 CBADLP CSC[C@@H](O)C[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593050827 355190923 /nfs/dbraw/zinc/19/09/23/355190923.db2.gz JJHINXKBTVTNTR-NSHDSACASA-N 2 2 275.418 -0.584 20 0 CBADLP COC[C@@](C)(CC(=O)OC)NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000593905421 355227375 /nfs/dbraw/zinc/22/73/75/355227375.db2.gz GASLVVNCQDEYCZ-ZWNOBZJWSA-N 2 2 289.376 -0.650 20 0 CBADLP COC(=O)[C@@H](C)CN(C)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000593907954 355227754 /nfs/dbraw/zinc/22/77/54/355227754.db2.gz WHRFYIYXZNPVOK-VHSXEESVSA-N 2 2 259.350 -0.467 20 0 CBADLP COC(=O)CC1(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)CCC1 ZINC000593909189 355227993 /nfs/dbraw/zinc/22/79/93/355227993.db2.gz HWADZGAYZLBTJN-JTQLQIEISA-N 2 2 271.361 -0.133 20 0 CBADLP CC(C)OC(=O)[C@H](C)CNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000593909973 355228397 /nfs/dbraw/zinc/22/83/97/355228397.db2.gz OUEZKBDFWLUURF-MNOVXSKESA-N 2 2 273.377 -0.031 20 0 CBADLP CCOC(=O)c1cnc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)n1C ZINC000593924463 355231380 /nfs/dbraw/zinc/23/13/80/355231380.db2.gz HNOCHJPYLQLSJE-VIFPVBQESA-N 2 2 297.359 -0.186 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@@]1(CC(=O)OC)CCOC1 ZINC000593972662 355232550 /nfs/dbraw/zinc/23/25/50/355232550.db2.gz AGEJHTAYPXEHIC-DGCLKSJQSA-N 2 2 274.361 -0.389 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@]1(CC(=O)OC)CCOC1 ZINC000593972662 355232554 /nfs/dbraw/zinc/23/25/54/355232554.db2.gz AGEJHTAYPXEHIC-DGCLKSJQSA-N 2 2 274.361 -0.389 20 0 CBADLP Cc1nn(C)cc1C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000594737008 355259231 /nfs/dbraw/zinc/25/92/31/355259231.db2.gz VREZJKHVMXOUBD-NWDGAFQWSA-N 2 2 263.345 -0.528 20 0 CBADLP Cc1nn(C)cc1C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000594737008 355259236 /nfs/dbraw/zinc/25/92/36/355259236.db2.gz VREZJKHVMXOUBD-NWDGAFQWSA-N 2 2 263.345 -0.528 20 0 CBADLP COC[C@](C)(CC(=O)OC)[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000595889944 355314439 /nfs/dbraw/zinc/31/44/39/355314439.db2.gz AIAUZYRBNCFUNV-JQWIXIFHSA-N 2 2 260.334 -0.467 20 0 CBADLP COC[C@@](C)(CC(=O)OC)[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000595889947 355314730 /nfs/dbraw/zinc/31/47/30/355314730.db2.gz AIAUZYRBNCFUNV-ZYHUDNBSSA-N 2 2 260.334 -0.467 20 0 CBADLP COC(=O)CCN1CC[C@H]([N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)C1=O ZINC000595888796 355314742 /nfs/dbraw/zinc/31/47/42/355314742.db2.gz OUBWRXREAZTIND-SWLSCSKDSA-N 2 2 295.383 -0.164 20 0 CBADLP COC(=O)CCN1CC[C@H]([N@H+]2CC[C@@]3(CC[NH2+]C3)C2)C1=O ZINC000595888796 355314749 /nfs/dbraw/zinc/31/47/49/355314749.db2.gz OUBWRXREAZTIND-SWLSCSKDSA-N 2 2 295.383 -0.164 20 0 CBADLP COC(=O)CCN1CC[C@@H]([N@@H+]2CCCO[C@@H](C[NH3+])C2)C1=O ZINC000595894094 355315538 /nfs/dbraw/zinc/31/55/38/355315538.db2.gz UTEWWCHMACWNBE-NWDGAFQWSA-N 2 2 299.371 -0.800 20 0 CBADLP COC(=O)CCN1CC[C@@H]([N@H+]2CCCO[C@@H](C[NH3+])C2)C1=O ZINC000595894094 355315542 /nfs/dbraw/zinc/31/55/42/355315542.db2.gz UTEWWCHMACWNBE-NWDGAFQWSA-N 2 2 299.371 -0.800 20 0 CBADLP COC(=O)CCN1CC[C@H]([NH+]2CCC(C)([NH3+])CC2)C1=O ZINC000595895017 355315801 /nfs/dbraw/zinc/31/58/01/355315801.db2.gz AVGRWIHTPIKXQW-NSHDSACASA-N 2 2 283.372 -0.036 20 0 CBADLP Cn1c[nH+]cc1CCC[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000595903266 355316999 /nfs/dbraw/zinc/31/69/99/355316999.db2.gz QDPKCVNQFHRFQT-STQMWFEESA-N 3 2 277.372 -0.404 20 0 CBADLP Cn1c[nH+]cc1CCC[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000595903266 355317003 /nfs/dbraw/zinc/31/70/03/355317003.db2.gz QDPKCVNQFHRFQT-STQMWFEESA-N 3 2 277.372 -0.404 20 0 CBADLP Cn1cncc1CCC[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000595903266 355317006 /nfs/dbraw/zinc/31/70/06/355317006.db2.gz QDPKCVNQFHRFQT-STQMWFEESA-N 2 2 277.372 -0.404 20 0 CBADLP Cn1cncc1CCC[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000595903266 355317009 /nfs/dbraw/zinc/31/70/09/355317009.db2.gz QDPKCVNQFHRFQT-STQMWFEESA-N 2 2 277.372 -0.404 20 0 CBADLP COC(=O)[C@@H]1OCC[C@@H]1[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000597188116 355375052 /nfs/dbraw/zinc/37/50/52/355375052.db2.gz URUIYGPZNXXFAA-WDEREUQCSA-N 2 2 282.344 -0.094 20 0 CBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C1(C(N)=O)CC1 ZINC000598119569 355432610 /nfs/dbraw/zinc/43/26/10/355432610.db2.gz ZCLSOAQPBNFFDN-UHFFFAOYSA-N 2 2 296.415 -0.264 20 0 CBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C1(C(N)=O)CC1 ZINC000598119569 355432612 /nfs/dbraw/zinc/43/26/12/355432612.db2.gz ZCLSOAQPBNFFDN-UHFFFAOYSA-N 2 2 296.415 -0.264 20 0 CBADLP CCC[N@@H+](CC(=O)NC)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351482361 283099507 /nfs/dbraw/zinc/09/95/07/283099507.db2.gz ZGNJKNRKDVVJNM-LBPRGKRZSA-N 2 2 257.378 -0.101 20 0 CBADLP CCC[N@H+](CC(=O)NC)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351482361 283099508 /nfs/dbraw/zinc/09/95/08/283099508.db2.gz ZGNJKNRKDVVJNM-LBPRGKRZSA-N 2 2 257.378 -0.101 20 0 CBADLP CCC[NH+](CC(=O)NC)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351482361 283099509 /nfs/dbraw/zinc/09/95/09/283099509.db2.gz ZGNJKNRKDVVJNM-LBPRGKRZSA-N 2 2 257.378 -0.101 20 0 CBADLP CCC[NH+](CC(=O)NC)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351482361 283099510 /nfs/dbraw/zinc/09/95/10/283099510.db2.gz ZGNJKNRKDVVJNM-LBPRGKRZSA-N 2 2 257.378 -0.101 20 0 CBADLP COC(=O)[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[N@H+](C)C1 ZINC000598792946 355455045 /nfs/dbraw/zinc/45/50/45/355455045.db2.gz PYQQHQVUANUIIY-NSHDSACASA-N 2 2 294.355 -0.474 20 0 CBADLP COC(=O)[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[N@@H+](C)C1 ZINC000598792946 355455046 /nfs/dbraw/zinc/45/50/46/355455046.db2.gz PYQQHQVUANUIIY-NSHDSACASA-N 2 2 294.355 -0.474 20 0 CBADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1N1CC[NH+](C)CC1 ZINC000377081142 291067020 /nfs/dbraw/zinc/06/70/20/291067020.db2.gz UBRLFSWSQNIFML-UONOGXRCSA-N 2 2 268.405 -0.056 20 0 CBADLP CCOC(=O)C[C@@H](O)C[NH+]1CCC([N@H+](C)CCO)CC1 ZINC000599287693 355477035 /nfs/dbraw/zinc/47/70/35/355477035.db2.gz DFAMEQKEXNJIPT-CYBMUJFWSA-N 2 2 288.388 -0.311 20 0 CBADLP CCOC(=O)C[C@@H](O)C[NH+]1CCC([N@@H+](C)CCO)CC1 ZINC000599287693 355477037 /nfs/dbraw/zinc/47/70/37/355477037.db2.gz DFAMEQKEXNJIPT-CYBMUJFWSA-N 2 2 288.388 -0.311 20 0 CBADLP CN1CC[N@H+](C)[C@@H](CNC(=O)N[C@@H]2CCC[NH+](C)C2)C1 ZINC000601269991 355583087 /nfs/dbraw/zinc/58/30/87/355583087.db2.gz JERJPFGYESBDKR-OLZOCXBDSA-N 2 2 283.420 -0.374 20 0 CBADLP CN1CC[N@@H+](C)[C@@H](CNC(=O)N[C@@H]2CCC[NH+](C)C2)C1 ZINC000601269991 355583089 /nfs/dbraw/zinc/58/30/89/355583089.db2.gz JERJPFGYESBDKR-OLZOCXBDSA-N 2 2 283.420 -0.374 20 0 CBADLP CN1CC[NH+](C)[C@@H](CNC(=O)N[C@@H]2CCC[N@H+](C)C2)C1 ZINC000601269991 355583094 /nfs/dbraw/zinc/58/30/94/355583094.db2.gz JERJPFGYESBDKR-OLZOCXBDSA-N 2 2 283.420 -0.374 20 0 CBADLP CN1CC[NH+](C)[C@@H](CNC(=O)N[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000601269991 355583096 /nfs/dbraw/zinc/58/30/96/355583096.db2.gz JERJPFGYESBDKR-OLZOCXBDSA-N 2 2 283.420 -0.374 20 0 CBADLP CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000601335846 355588179 /nfs/dbraw/zinc/58/81/79/355588179.db2.gz YMAFLKWTRUJMHX-MNOVXSKESA-N 2 2 268.361 -0.094 20 0 CBADLP CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000601335846 355588183 /nfs/dbraw/zinc/58/81/83/355588183.db2.gz YMAFLKWTRUJMHX-MNOVXSKESA-N 2 2 268.361 -0.094 20 0 CBADLP NC(=O)NC(=O)CC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000601334485 355588595 /nfs/dbraw/zinc/58/85/95/355588595.db2.gz LLTAXEHMDSWWAE-NXEZZACHSA-N 2 2 254.334 -0.355 20 0 CBADLP NC(=O)NC(=O)CC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000601334485 355588601 /nfs/dbraw/zinc/58/86/01/355588601.db2.gz LLTAXEHMDSWWAE-NXEZZACHSA-N 2 2 254.334 -0.355 20 0 CBADLP CC(C)(C)CNC(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000600712070 355563013 /nfs/dbraw/zinc/56/30/13/355563013.db2.gz VXZOHCJHROSKFY-GHMZBOCLSA-N 2 2 282.388 -0.608 20 0 CBADLP CC(C)(C)CNC(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000600712070 355563019 /nfs/dbraw/zinc/56/30/19/355563019.db2.gz VXZOHCJHROSKFY-GHMZBOCLSA-N 2 2 282.388 -0.608 20 0 CBADLP COc1ccc[nH+]c1N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000600946734 355571727 /nfs/dbraw/zinc/57/17/27/355571727.db2.gz HSYZTZHFJXWUMH-NXEZZACHSA-N 2 2 262.313 -0.162 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)CN1CC[NH+](C)CC1 ZINC000600999668 355574987 /nfs/dbraw/zinc/57/49/87/355574987.db2.gz CHQDCYGJDSXQHX-ZDUSSCGKSA-N 2 2 284.404 -0.929 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)CN1CC[NH+](C)CC1 ZINC000600999668 355574992 /nfs/dbraw/zinc/57/49/92/355574992.db2.gz CHQDCYGJDSXQHX-ZDUSSCGKSA-N 2 2 284.404 -0.929 20 0 CBADLP CN1CC[N@H+](C)[C@H](CNC(=O)NCCC[NH+](C)C)C1 ZINC000601208729 355580145 /nfs/dbraw/zinc/58/01/45/355580145.db2.gz ZTZCSUVMPQXPCF-GFCCVEGCSA-N 2 2 271.409 -0.517 20 0 CBADLP CN1CC[N@@H+](C)[C@H](CNC(=O)NCCC[NH+](C)C)C1 ZINC000601208729 355580150 /nfs/dbraw/zinc/58/01/50/355580150.db2.gz ZTZCSUVMPQXPCF-GFCCVEGCSA-N 2 2 271.409 -0.517 20 0 CBADLP CCc1c[nH]c(CC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)[nH+]1 ZINC000602522704 355656799 /nfs/dbraw/zinc/65/67/99/355656799.db2.gz GBAWLSBTTUYQKV-QWRGUYRKSA-N 2 2 291.355 -0.715 20 0 CBADLP CSCC[C@@H]([NH3+])C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000602546930 355660106 /nfs/dbraw/zinc/66/01/06/355660106.db2.gz NFBCBKQPAYVDNH-VHSXEESVSA-N 2 2 261.391 -0.486 20 0 CBADLP CSCC[C@@H]([NH3+])C(=O)NC[C@H]1COCC[N@H+]1C ZINC000602546930 355660108 /nfs/dbraw/zinc/66/01/08/355660108.db2.gz NFBCBKQPAYVDNH-VHSXEESVSA-N 2 2 261.391 -0.486 20 0 CBADLP COC(=O)CN(CC[NH+]1CCOCC1)CC12CC(C1)C[NH2+]2 ZINC000602016274 355624912 /nfs/dbraw/zinc/62/49/12/355624912.db2.gz BCAIFCHKZIACCL-UHFFFAOYSA-N 2 2 297.399 -0.454 20 0 CBADLP COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000602024036 355625540 /nfs/dbraw/zinc/62/55/40/355625540.db2.gz ZLLRIYXCMZHCAA-QEYWKRMJSA-N 2 2 257.334 -0.478 20 0 CBADLP COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000602024035 355625548 /nfs/dbraw/zinc/62/55/48/355625548.db2.gz ZLLRIYXCMZHCAA-AXTSPUMRSA-N 2 2 257.334 -0.478 20 0 CBADLP COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000602023495 355625901 /nfs/dbraw/zinc/62/59/01/355625901.db2.gz WOWZYDZUWKCCLB-VPOLOUISSA-N 2 2 271.361 -0.217 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000608008559 355754418 /nfs/dbraw/zinc/75/44/18/355754418.db2.gz PFCXLQUYRTZMML-UONOGXRCSA-N 2 2 297.399 -0.360 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000608008559 355754422 /nfs/dbraw/zinc/75/44/22/355754422.db2.gz PFCXLQUYRTZMML-UONOGXRCSA-N 2 2 297.399 -0.360 20 0 CBADLP COCCN(CC[NH+](C)C)C(=O)Cn1cc[nH+]c1 ZINC000608012967 355754617 /nfs/dbraw/zinc/75/46/17/355754617.db2.gz ACNXIAFPQGUFBG-UHFFFAOYSA-N 2 2 254.334 -0.080 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000608008556 355754695 /nfs/dbraw/zinc/75/46/95/355754695.db2.gz PFCXLQUYRTZMML-KBPBESRZSA-N 2 2 297.399 -0.360 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000608008556 355754698 /nfs/dbraw/zinc/75/46/98/355754698.db2.gz PFCXLQUYRTZMML-KBPBESRZSA-N 2 2 297.399 -0.360 20 0 CBADLP CC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC000604749859 355727634 /nfs/dbraw/zinc/72/76/34/355727634.db2.gz DNSHRMMCGAJDGP-NWDGAFQWSA-N 2 2 255.362 -0.083 20 0 CBADLP CC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC000604749859 355727637 /nfs/dbraw/zinc/72/76/37/355727637.db2.gz DNSHRMMCGAJDGP-NWDGAFQWSA-N 2 2 255.362 -0.083 20 0 CBADLP CC[NH+]1CCO[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000604749859 355727640 /nfs/dbraw/zinc/72/76/40/355727640.db2.gz DNSHRMMCGAJDGP-NWDGAFQWSA-N 2 2 255.362 -0.083 20 0 CBADLP CC[NH+]1CCO[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000604749859 355727641 /nfs/dbraw/zinc/72/76/41/355727641.db2.gz DNSHRMMCGAJDGP-NWDGAFQWSA-N 2 2 255.362 -0.083 20 0 CBADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@H](O)C2CC2)CC1 ZINC000611974861 355817717 /nfs/dbraw/zinc/81/77/17/355817717.db2.gz SFHBQVAHEBILMF-CYBMUJFWSA-N 2 2 269.389 -0.101 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000612877180 355854275 /nfs/dbraw/zinc/85/42/75/355854275.db2.gz WPXAVDJXGCFFPL-YPMHNXCESA-N 2 2 270.377 -0.242 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000612877180 355854276 /nfs/dbraw/zinc/85/42/76/355854276.db2.gz WPXAVDJXGCFFPL-YPMHNXCESA-N 2 2 270.377 -0.242 20 0 CBADLP CN1CC[N@H+](C)[C@@H](CNC(=O)N[C@H]2CC23CC[NH2+]CC3)C1 ZINC000612972015 355858567 /nfs/dbraw/zinc/85/85/67/355858567.db2.gz RFRAAMXDXJUWQI-STQMWFEESA-N 2 2 295.431 -0.327 20 0 CBADLP CN1CC[N@@H+](C)[C@@H](CNC(=O)N[C@H]2CC23CC[NH2+]CC3)C1 ZINC000612972015 355858569 /nfs/dbraw/zinc/85/85/69/355858569.db2.gz RFRAAMXDXJUWQI-STQMWFEESA-N 2 2 295.431 -0.327 20 0 CBADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CC23CC[NH2+]CC3)[C@H](C[NH3+])C1 ZINC000612994407 355860386 /nfs/dbraw/zinc/86/03/86/355860386.db2.gz SNHVVSIWCCPPOW-VXGBXAGGSA-N 3 2 281.404 -0.587 20 0 CBADLP C[N@H+]1CCN(C(=O)N[C@@H]2CC23CC[NH2+]CC3)[C@H](C[NH3+])C1 ZINC000612994407 355860387 /nfs/dbraw/zinc/86/03/87/355860387.db2.gz SNHVVSIWCCPPOW-VXGBXAGGSA-N 3 2 281.404 -0.587 20 0 CBADLP C[C@H](O)C[NH+]1CCN(C(=O)C2([NH+](C)C)CC2)CC1 ZINC000613672734 355903864 /nfs/dbraw/zinc/90/38/64/355903864.db2.gz WMEWTOQHZWXSLZ-NSHDSACASA-N 2 2 255.362 -0.394 20 0 CBADLP C[C@H]1CN(C(=O)C2([NH+](C)C)CC2)CC[N@@H+]1CCO ZINC000613697819 355906176 /nfs/dbraw/zinc/90/61/76/355906176.db2.gz MVFGPAGPIACZOQ-NSHDSACASA-N 2 2 255.362 -0.394 20 0 CBADLP C[C@H]1CN(C(=O)C2([NH+](C)C)CC2)CC[N@H+]1CCO ZINC000613697819 355906177 /nfs/dbraw/zinc/90/61/77/355906177.db2.gz MVFGPAGPIACZOQ-NSHDSACASA-N 2 2 255.362 -0.394 20 0 CBADLP C[NH+](C)C[C@@H](CO)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000614841661 355988321 /nfs/dbraw/zinc/98/83/21/355988321.db2.gz GCQJBROZPCUADU-MNOVXSKESA-N 2 2 266.345 -0.516 20 0 CBADLP C[NH+](C)C[C@H](CO)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000614849755 355990243 /nfs/dbraw/zinc/99/02/43/355990243.db2.gz NOKVSIDREIHZJA-GHMZBOCLSA-N 2 2 266.345 -0.516 20 0 CBADLP C[NH+](C)C[C@H](CO)NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC000614850522 355991134 /nfs/dbraw/zinc/99/11/34/355991134.db2.gz ZKUITZNMNKTIML-LLVKDONJSA-N 2 2 280.372 -0.199 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000614503547 355963262 /nfs/dbraw/zinc/96/32/62/355963262.db2.gz QCYUGBFWTGASTJ-CYBMUJFWSA-N 2 2 277.372 -0.152 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000614503547 355963265 /nfs/dbraw/zinc/96/32/65/355963265.db2.gz QCYUGBFWTGASTJ-CYBMUJFWSA-N 2 2 277.372 -0.152 20 0 CBADLP CN(Cc1c[nH+]c[nH]1)C(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000616927027 356115710 /nfs/dbraw/zinc/11/57/10/356115710.db2.gz YQENSEKQKMZGME-GFCCVEGCSA-N 2 2 263.345 -0.242 20 0 CBADLP CN(Cc1c[nH]c[nH+]1)C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000616927027 356115716 /nfs/dbraw/zinc/11/57/16/356115716.db2.gz YQENSEKQKMZGME-GFCCVEGCSA-N 2 2 263.345 -0.242 20 0 CBADLP CN(Cc1c[nH]c[nH+]1)C(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000616927027 356115723 /nfs/dbraw/zinc/11/57/23/356115723.db2.gz YQENSEKQKMZGME-GFCCVEGCSA-N 2 2 263.345 -0.242 20 0 CBADLP COC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000420307393 291083512 /nfs/dbraw/zinc/08/35/12/291083512.db2.gz IJZMLXZIDOEMOB-JTQLQIEISA-N 2 2 257.334 -0.521 20 0 CBADLP COC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000420307393 291083513 /nfs/dbraw/zinc/08/35/13/291083513.db2.gz IJZMLXZIDOEMOB-JTQLQIEISA-N 2 2 257.334 -0.521 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)CN2CC[NH+](C)CC2)[C@H](C)CO1 ZINC000617733237 356152537 /nfs/dbraw/zinc/15/25/37/356152537.db2.gz OMNINHBAHFBNNK-ZIAGYGMSSA-N 2 2 298.431 -0.541 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)CN2CC[NH+](C)CC2)[C@H](C)CO1 ZINC000617733237 356152539 /nfs/dbraw/zinc/15/25/39/356152539.db2.gz OMNINHBAHFBNNK-ZIAGYGMSSA-N 2 2 298.431 -0.541 20 0 CBADLP C[C@@H](CC(N)=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617764480 356155213 /nfs/dbraw/zinc/15/52/13/356155213.db2.gz ZIEKEPMBACKFHQ-NSHDSACASA-N 2 2 272.393 -0.502 20 0 CBADLP C[C@@H](CC(N)=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617764480 356155214 /nfs/dbraw/zinc/15/52/14/356155214.db2.gz ZIEKEPMBACKFHQ-NSHDSACASA-N 2 2 272.393 -0.502 20 0 CBADLP CN1CCOC[C@@H]1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617764290 356155368 /nfs/dbraw/zinc/15/53/68/356155368.db2.gz QVWYBEVZSZLZAX-CYBMUJFWSA-N 2 2 286.420 -0.683 20 0 CBADLP CN1CCOC[C@@H]1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617764290 356155371 /nfs/dbraw/zinc/15/53/71/356155371.db2.gz QVWYBEVZSZLZAX-CYBMUJFWSA-N 2 2 286.420 -0.683 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC000617764201 356155571 /nfs/dbraw/zinc/15/55/71/356155571.db2.gz MKRJNBNPLIUVIZ-ZDUSSCGKSA-N 3 2 270.421 -0.062 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC000617764201 356155576 /nfs/dbraw/zinc/15/55/76/356155576.db2.gz MKRJNBNPLIUVIZ-ZDUSSCGKSA-N 3 2 270.421 -0.062 20 0 CBADLP C[NH+](C)CCC[NH+](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000617764201 356155579 /nfs/dbraw/zinc/15/55/79/356155579.db2.gz MKRJNBNPLIUVIZ-ZDUSSCGKSA-N 3 2 270.421 -0.062 20 0 CBADLP C[NH+](C)CCC[NH+](C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000617764201 356155585 /nfs/dbraw/zinc/15/55/85/356155585.db2.gz MKRJNBNPLIUVIZ-ZDUSSCGKSA-N 3 2 270.421 -0.062 20 0 CBADLP CN1CCOC[C@H]1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617764291 356155647 /nfs/dbraw/zinc/15/56/47/356155647.db2.gz QVWYBEVZSZLZAX-ZDUSSCGKSA-N 2 2 286.420 -0.683 20 0 CBADLP CN1CCOC[C@H]1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617764291 356155650 /nfs/dbraw/zinc/15/56/50/356155650.db2.gz QVWYBEVZSZLZAX-ZDUSSCGKSA-N 2 2 286.420 -0.683 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(C(N)=O)o1 ZINC000617765692 356156475 /nfs/dbraw/zinc/15/64/75/356156475.db2.gz MIGOQINUBRTNNK-UHFFFAOYSA-N 2 2 296.371 -0.008 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(C(N)=O)o1 ZINC000617765692 356156479 /nfs/dbraw/zinc/15/64/79/356156479.db2.gz MIGOQINUBRTNNK-UHFFFAOYSA-N 2 2 296.371 -0.008 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC000617766348 356156584 /nfs/dbraw/zinc/15/65/84/356156584.db2.gz HDOKLBDCUCKROD-CYBMUJFWSA-N 3 2 286.420 -0.683 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC000617766348 356156588 /nfs/dbraw/zinc/15/65/88/356156588.db2.gz HDOKLBDCUCKROD-CYBMUJFWSA-N 3 2 286.420 -0.683 20 0 CBADLP C[NH+](C)CCC[NH+](C)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000617766348 356156589 /nfs/dbraw/zinc/15/65/89/356156589.db2.gz HDOKLBDCUCKROD-CYBMUJFWSA-N 3 2 286.420 -0.683 20 0 CBADLP C[NH+](C)CCC[NH+](C)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000617766348 356156594 /nfs/dbraw/zinc/15/65/94/356156594.db2.gz HDOKLBDCUCKROD-CYBMUJFWSA-N 3 2 286.420 -0.683 20 0 CBADLP CN(CCC[NH+](C)C)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000617766348 356156596 /nfs/dbraw/zinc/15/65/96/356156596.db2.gz HDOKLBDCUCKROD-CYBMUJFWSA-N 2 2 286.420 -0.683 20 0 CBADLP CN(CCC[NH+](C)C)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000617766348 356156600 /nfs/dbraw/zinc/15/66/00/356156600.db2.gz HDOKLBDCUCKROD-CYBMUJFWSA-N 2 2 286.420 -0.683 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1COCCO1 ZINC000617767874 356156759 /nfs/dbraw/zinc/15/67/59/356156759.db2.gz GNWMEXQAZWPFHZ-LBPRGKRZSA-N 2 2 273.377 -0.599 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1COCCO1 ZINC000617767874 356156762 /nfs/dbraw/zinc/15/67/62/356156762.db2.gz GNWMEXQAZWPFHZ-LBPRGKRZSA-N 2 2 273.377 -0.599 20 0 CBADLP Cn1ccc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1=O ZINC000617768110 356156885 /nfs/dbraw/zinc/15/68/85/356156885.db2.gz PJCDIPYXTDWDDI-UHFFFAOYSA-N 2 2 294.399 -0.001 20 0 CBADLP Cn1ccc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1=O ZINC000617768110 356156889 /nfs/dbraw/zinc/15/68/89/356156889.db2.gz PJCDIPYXTDWDDI-UHFFFAOYSA-N 2 2 294.399 -0.001 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1CCNC(=O)C1 ZINC000617765903 356157038 /nfs/dbraw/zinc/15/70/38/356157038.db2.gz VMIDYKHFQRZSDU-GFCCVEGCSA-N 2 2 284.404 -0.488 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1CCNC(=O)C1 ZINC000617765903 356157041 /nfs/dbraw/zinc/15/70/41/356157041.db2.gz VMIDYKHFQRZSDU-GFCCVEGCSA-N 2 2 284.404 -0.488 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc(C(N)=O)c[nH]1 ZINC000617765968 356157078 /nfs/dbraw/zinc/15/70/78/356157078.db2.gz XTHUHHCMTDJXTF-UHFFFAOYSA-N 2 2 295.387 -0.273 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc(C(N)=O)c[nH]1 ZINC000617765968 356157081 /nfs/dbraw/zinc/15/70/81/356157081.db2.gz XTHUHHCMTDJXTF-UHFFFAOYSA-N 2 2 295.387 -0.273 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1CCCN1C(N)=O ZINC000617766779 356157199 /nfs/dbraw/zinc/15/71/99/356157199.db2.gz UZGLJPYLKJUCCK-LBPRGKRZSA-N 2 2 299.419 -0.471 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1CCCN1C(N)=O ZINC000617766779 356157202 /nfs/dbraw/zinc/15/72/02/356157202.db2.gz UZGLJPYLKJUCCK-LBPRGKRZSA-N 2 2 299.419 -0.471 20 0 CBADLP CC[N@@H+]1CCOC[C@H]1C(=O)N(C)CC1C[NH+](C)C1 ZINC000618191588 356179638 /nfs/dbraw/zinc/17/96/38/356179638.db2.gz KFRODOOVKLXFKS-LBPRGKRZSA-N 2 2 255.362 -0.273 20 0 CBADLP CC[N@H+]1CCOC[C@H]1C(=O)N(C)CC1C[NH+](C)C1 ZINC000618191588 356179642 /nfs/dbraw/zinc/17/96/42/356179642.db2.gz KFRODOOVKLXFKS-LBPRGKRZSA-N 2 2 255.362 -0.273 20 0 CBADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C(=O)NCC1CC1 ZINC000617507139 356139150 /nfs/dbraw/zinc/13/91/50/356139150.db2.gz KBAWVQCJZVAEPN-LBPRGKRZSA-N 2 2 298.431 -0.099 20 0 CBADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C(=O)NCC1CC1 ZINC000617507139 356139155 /nfs/dbraw/zinc/13/91/55/356139155.db2.gz KBAWVQCJZVAEPN-LBPRGKRZSA-N 2 2 298.431 -0.099 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000621149242 356256977 /nfs/dbraw/zinc/25/69/77/356256977.db2.gz CQVLRHVMXXZJSG-CYBMUJFWSA-N 2 2 298.431 -0.101 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000621149242 356256980 /nfs/dbraw/zinc/25/69/80/356256980.db2.gz CQVLRHVMXXZJSG-CYBMUJFWSA-N 2 2 298.431 -0.101 20 0 CBADLP CNS(=O)(=O)CC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000621260206 356261179 /nfs/dbraw/zinc/26/11/79/356261179.db2.gz WLTLZOVKYGABRS-LBPRGKRZSA-N 2 2 291.417 -0.810 20 0 CBADLP CNS(=O)(=O)CC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000621260206 356261180 /nfs/dbraw/zinc/26/11/80/356261180.db2.gz WLTLZOVKYGABRS-LBPRGKRZSA-N 2 2 291.417 -0.810 20 0 CBADLP CC[NH+]1CCC([N@H+](C)CCS(=O)(=O)NC)CC1 ZINC000621261055 356261318 /nfs/dbraw/zinc/26/13/18/356261318.db2.gz AJMLJKCPELHSHP-UHFFFAOYSA-N 2 2 263.407 -0.048 20 0 CBADLP CC[NH+]1CCC([N@@H+](C)CCS(=O)(=O)NC)CC1 ZINC000621261055 356261321 /nfs/dbraw/zinc/26/13/21/356261321.db2.gz AJMLJKCPELHSHP-UHFFFAOYSA-N 2 2 263.407 -0.048 20 0 CBADLP CNS(=O)(=O)CC[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000621298103 356268051 /nfs/dbraw/zinc/26/80/51/356268051.db2.gz JOFSURYNJSYDET-GFCCVEGCSA-N 2 2 275.418 -0.047 20 0 CBADLP CNS(=O)(=O)CC[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000621298103 356268054 /nfs/dbraw/zinc/26/80/54/356268054.db2.gz JOFSURYNJSYDET-GFCCVEGCSA-N 2 2 275.418 -0.047 20 0 CBADLP CNS(=O)(=O)CC[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000621298103 356268055 /nfs/dbraw/zinc/26/80/55/356268055.db2.gz JOFSURYNJSYDET-GFCCVEGCSA-N 2 2 275.418 -0.047 20 0 CBADLP CNS(=O)(=O)CC[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000621298103 356268057 /nfs/dbraw/zinc/26/80/57/356268057.db2.gz JOFSURYNJSYDET-GFCCVEGCSA-N 2 2 275.418 -0.047 20 0 CBADLP CNS(=O)(=O)CC[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000621297342 356268172 /nfs/dbraw/zinc/26/81/72/356268172.db2.gz KWLOHVNOJAJBTI-NSHDSACASA-N 2 2 261.391 -0.437 20 0 CBADLP CNS(=O)(=O)CC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000621297342 356268175 /nfs/dbraw/zinc/26/81/75/356268175.db2.gz KWLOHVNOJAJBTI-NSHDSACASA-N 2 2 261.391 -0.437 20 0 CBADLP CNS(=O)(=O)CC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000621297342 356268176 /nfs/dbraw/zinc/26/81/76/356268176.db2.gz KWLOHVNOJAJBTI-NSHDSACASA-N 2 2 261.391 -0.437 20 0 CBADLP CNS(=O)(=O)CC[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000621297342 356268178 /nfs/dbraw/zinc/26/81/78/356268178.db2.gz KWLOHVNOJAJBTI-NSHDSACASA-N 2 2 261.391 -0.437 20 0 CBADLP C[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)C[C@@H]1CO ZINC000621365049 356273558 /nfs/dbraw/zinc/27/35/58/356273558.db2.gz PNVVMGDMXYMLPP-CHWSQXEVSA-N 2 2 269.389 -0.289 20 0 CBADLP C[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C[C@@H]1CO ZINC000621365049 356273561 /nfs/dbraw/zinc/27/35/61/356273561.db2.gz PNVVMGDMXYMLPP-CHWSQXEVSA-N 2 2 269.389 -0.289 20 0 CBADLP Cc1ncc(C[NH2+]CC(=O)N2CC[NH+](C)CC2)cn1 ZINC000620758172 356248600 /nfs/dbraw/zinc/24/86/00/356248600.db2.gz XHYSBUXBQJWERH-UHFFFAOYSA-N 2 2 263.345 -0.351 20 0 CBADLP [NH3+][C@]12CCC[C@H]1CN(C(=O)C(=O)NCCn1cc[nH+]c1)C2 ZINC000621839685 356288872 /nfs/dbraw/zinc/28/88/72/356288872.db2.gz XBUJMEASWQRVNI-FZMZJTMJSA-N 2 2 291.355 -0.661 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000622024067 356300435 /nfs/dbraw/zinc/30/04/35/356300435.db2.gz LASKUSOUWBHWPA-IUODEOHRSA-N 2 2 294.399 -0.510 20 0 CBADLP C[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000622031886 356302629 /nfs/dbraw/zinc/30/26/29/356302629.db2.gz VTCIJPHUOCMNJH-FZMZJTMJSA-N 2 2 280.372 -0.900 20 0 CBADLP CC(=O)N1CC[C@@H]([NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000622044598 356302709 /nfs/dbraw/zinc/30/27/09/356302709.db2.gz LRUZTKJWLFGKJK-MGPQQGTHSA-N 2 2 267.373 -0.036 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N1CC[NH+](CCO)CC1 ZINC000622300804 356315013 /nfs/dbraw/zinc/31/50/13/356315013.db2.gz CPCRWFTWNDKVRU-UHFFFAOYSA-N 2 2 252.318 -0.672 20 0 CBADLP COCC[NH+]1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC000622369253 356317420 /nfs/dbraw/zinc/31/74/20/356317420.db2.gz DLZBJCQLTASMJJ-UHFFFAOYSA-N 2 2 266.345 -0.018 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000622631688 356329030 /nfs/dbraw/zinc/32/90/30/356329030.db2.gz SQKRLJUQXJKDPR-LBPRGKRZSA-N 2 2 280.372 -0.074 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000622631688 356329032 /nfs/dbraw/zinc/32/90/32/356329032.db2.gz SQKRLJUQXJKDPR-LBPRGKRZSA-N 2 2 280.372 -0.074 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCC[NH+](CCCO)C2)C1 ZINC000622631169 356329069 /nfs/dbraw/zinc/32/90/69/356329069.db2.gz HXPYPJGMSPLEKD-OLZOCXBDSA-N 2 2 285.388 -0.720 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCC[NH+](CCCO)C2)C1 ZINC000622631169 356329072 /nfs/dbraw/zinc/32/90/72/356329072.db2.gz HXPYPJGMSPLEKD-OLZOCXBDSA-N 2 2 285.388 -0.720 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2CCC[N@H+](CCCO)C2)C1 ZINC000622631169 356329075 /nfs/dbraw/zinc/32/90/75/356329075.db2.gz HXPYPJGMSPLEKD-OLZOCXBDSA-N 2 2 285.388 -0.720 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)C1 ZINC000622631169 356329077 /nfs/dbraw/zinc/32/90/77/356329077.db2.gz HXPYPJGMSPLEKD-OLZOCXBDSA-N 2 2 285.388 -0.720 20 0 CBADLP CN(C)[C@@H](C(=O)NCC[NH+]1CCC1)c1c[nH+]cn1C ZINC000622458583 356320856 /nfs/dbraw/zinc/32/08/56/356320856.db2.gz ROUXIEQQRDJJCE-GFCCVEGCSA-N 2 2 265.361 -0.155 20 0 CBADLP C[NH+](C)CCCNC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000623367068 356362781 /nfs/dbraw/zinc/36/27/81/356362781.db2.gz VPUQBJGELMYTMB-LLVKDONJSA-N 2 2 258.366 -0.432 20 0 CBADLP C[NH+](C)CCCNC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000623367068 356362782 /nfs/dbraw/zinc/36/27/82/356362782.db2.gz VPUQBJGELMYTMB-LLVKDONJSA-N 2 2 258.366 -0.432 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000623477217 356365952 /nfs/dbraw/zinc/36/59/52/356365952.db2.gz CLOWRKJNKFZUNH-RYUDHWBXSA-N 2 2 281.360 -0.099 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NC[C@H]1COCC[N@H+]1C ZINC000623477217 356365955 /nfs/dbraw/zinc/36/59/55/356365955.db2.gz CLOWRKJNKFZUNH-RYUDHWBXSA-N 2 2 281.360 -0.099 20 0 CBADLP C[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1COCC[NH+]1C ZINC000623716022 356372007 /nfs/dbraw/zinc/37/20/07/356372007.db2.gz DBMCMCDOOAVZGI-VXGBXAGGSA-N 2 2 270.377 -0.290 20 0 CBADLP C[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1COCC[NH+]1C ZINC000623716022 356372009 /nfs/dbraw/zinc/37/20/09/356372009.db2.gz DBMCMCDOOAVZGI-VXGBXAGGSA-N 2 2 270.377 -0.290 20 0 CBADLP C[NH+]1CCC[C@@H]1CNC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000623716022 356372013 /nfs/dbraw/zinc/37/20/13/356372013.db2.gz DBMCMCDOOAVZGI-VXGBXAGGSA-N 2 2 270.377 -0.290 20 0 CBADLP C[NH+]1CCC[C@@H]1CNC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000623716022 356372017 /nfs/dbraw/zinc/37/20/17/356372017.db2.gz DBMCMCDOOAVZGI-VXGBXAGGSA-N 2 2 270.377 -0.290 20 0 CBADLP C[NH+]1CCOC[C@@H]1CNC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000623721881 356373268 /nfs/dbraw/zinc/37/32/68/356373268.db2.gz UTQRFNZLUARHGG-OLZOCXBDSA-N 2 2 284.404 -0.042 20 0 CBADLP C[NH+]1CCOC[C@@H]1CNC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000623721881 356373270 /nfs/dbraw/zinc/37/32/70/356373270.db2.gz UTQRFNZLUARHGG-OLZOCXBDSA-N 2 2 284.404 -0.042 20 0 CBADLP C[NH+]1CCC[C@H](CNC(=O)NC[C@H]2COCC[N@@H+]2C)C1 ZINC000623721881 356373271 /nfs/dbraw/zinc/37/32/71/356373271.db2.gz UTQRFNZLUARHGG-OLZOCXBDSA-N 2 2 284.404 -0.042 20 0 CBADLP C[NH+]1CCC[C@H](CNC(=O)NC[C@H]2COCC[N@H+]2C)C1 ZINC000623721881 356373273 /nfs/dbraw/zinc/37/32/73/356373273.db2.gz UTQRFNZLUARHGG-OLZOCXBDSA-N 2 2 284.404 -0.042 20 0 CBADLP Nc1nc(NCC[N@@H+]2CCc3sccc3C2)nc(N)[nH+]1 ZINC000623885241 356381665 /nfs/dbraw/zinc/38/16/65/356381665.db2.gz ULJSBDKAIGINKF-UHFFFAOYSA-N 2 2 291.384 -0.350 20 0 CBADLP Nc1nc(NCC[N@H+]2CCc3sccc3C2)nc(N)[nH+]1 ZINC000623885241 356381666 /nfs/dbraw/zinc/38/16/66/356381666.db2.gz ULJSBDKAIGINKF-UHFFFAOYSA-N 2 2 291.384 -0.350 20 0 CBADLP Nc1nc(N)[nH+]c(N2CC[C@H](C[NH+]3CCCC3)C2)n1 ZINC000623988000 356386541 /nfs/dbraw/zinc/38/65/41/356386541.db2.gz WTAKBFWNHAEEGW-SECBINFHSA-N 2 2 263.349 -0.381 20 0 CBADLP C[C@H]1C[N@H+](C)CC[C@H]1N(C)c1nc(N)nc(N)[nH+]1 ZINC000624024285 356390879 /nfs/dbraw/zinc/39/08/79/356390879.db2.gz CENMGEMHCIFOAI-JGVFFNPUSA-N 2 2 251.338 -0.527 20 0 CBADLP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)c1nc(N)nc(N)[nH+]1 ZINC000624024285 356390881 /nfs/dbraw/zinc/39/08/81/356390881.db2.gz CENMGEMHCIFOAI-JGVFFNPUSA-N 2 2 251.338 -0.527 20 0 CBADLP Cn1cc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)cn1 ZINC000623617762 356369540 /nfs/dbraw/zinc/36/95/40/356369540.db2.gz NCCUCQLRKAOSMG-LBPRGKRZSA-N 2 2 265.361 -0.151 20 0 CBADLP Cn1cc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)cn1 ZINC000623617762 356369542 /nfs/dbraw/zinc/36/95/42/356369542.db2.gz NCCUCQLRKAOSMG-LBPRGKRZSA-N 2 2 265.361 -0.151 20 0 CBADLP CN(CC1C[NH+](C)C1)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000624725252 356434751 /nfs/dbraw/zinc/43/47/51/356434751.db2.gz HSDWMLAAXSTAFI-LBPRGKRZSA-N 2 2 270.377 -0.480 20 0 CBADLP CN(CC1C[NH+](C)C1)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000624725252 356434754 /nfs/dbraw/zinc/43/47/54/356434754.db2.gz HSDWMLAAXSTAFI-LBPRGKRZSA-N 2 2 270.377 -0.480 20 0 CBADLP O[C@H]1CC[N@H+](CCNc2nc(N3CCOCC3)cc[nH+]2)C1 ZINC000624773915 356438580 /nfs/dbraw/zinc/43/85/80/356438580.db2.gz KKZADGCPZBOAJT-LBPRGKRZSA-N 2 2 293.371 -0.208 20 0 CBADLP O[C@H]1CC[N@@H+](CCNc2nc(N3CCOCC3)cc[nH+]2)C1 ZINC000624773915 356438582 /nfs/dbraw/zinc/43/85/82/356438582.db2.gz KKZADGCPZBOAJT-LBPRGKRZSA-N 2 2 293.371 -0.208 20 0 CBADLP COCC[N@H+](C)C[C@H](O)CN1CCc2[nH+]c[nH]c2C1 ZINC000625435474 356465497 /nfs/dbraw/zinc/46/54/97/356465497.db2.gz SFVFGDPYQWHMDH-NSHDSACASA-N 2 2 268.361 -0.293 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)CN1CCc2[nH+]c[nH]c2C1 ZINC000625435474 356465502 /nfs/dbraw/zinc/46/55/02/356465502.db2.gz SFVFGDPYQWHMDH-NSHDSACASA-N 2 2 268.361 -0.293 20 0 CBADLP CC[N@H+](C)C[C@H](O)CN1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000625473465 356467317 /nfs/dbraw/zinc/46/73/17/356467317.db2.gz DHFOFTJFSJUSIZ-AWEZNQCLSA-N 2 2 281.404 -0.160 20 0 CBADLP CC[N@@H+](C)C[C@H](O)CN1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000625473465 356467320 /nfs/dbraw/zinc/46/73/20/356467320.db2.gz DHFOFTJFSJUSIZ-AWEZNQCLSA-N 2 2 281.404 -0.160 20 0 CBADLP Cn1cc(CC[N@@H+]2CCN(CC[NH+](C)C)C(=O)C2)nn1 ZINC000625510563 356471248 /nfs/dbraw/zinc/47/12/48/356471248.db2.gz GCDSUTYFBZPRBA-UHFFFAOYSA-N 2 2 280.376 -0.937 20 0 CBADLP Cn1cc(CC[N@H+]2CCN(CC[NH+](C)C)C(=O)C2)nn1 ZINC000625510563 356471251 /nfs/dbraw/zinc/47/12/51/356471251.db2.gz GCDSUTYFBZPRBA-UHFFFAOYSA-N 2 2 280.376 -0.937 20 0 CBADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2cc(=O)[nH]cn2)CC1 ZINC000625993537 356500055 /nfs/dbraw/zinc/50/00/55/356500055.db2.gz BRQGEHSTLSWSDL-UHFFFAOYSA-N 2 2 293.371 -0.062 20 0 CBADLP [NH3+]CCCOCCNC(=O)NCCn1cc[nH+]c1 ZINC000626923639 356556433 /nfs/dbraw/zinc/55/64/33/356556433.db2.gz YBKVXYZTMMYUSF-UHFFFAOYSA-N 2 2 255.322 -0.452 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000626934892 356557214 /nfs/dbraw/zinc/55/72/14/356557214.db2.gz QOVJUOQZVDFRKO-GRYCIOLGSA-N 2 2 270.377 -0.243 20 0 CBADLP C[NH2+]CCOCCNC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000626970643 356561814 /nfs/dbraw/zinc/56/18/14/356561814.db2.gz RMUJETYUWSIPEH-LBPRGKRZSA-N 2 2 288.392 -0.758 20 0 CBADLP C[NH2+]CCOCCNC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000626970643 356561818 /nfs/dbraw/zinc/56/18/18/356561818.db2.gz RMUJETYUWSIPEH-LBPRGKRZSA-N 2 2 288.392 -0.758 20 0 CBADLP O=C(NCC1([NH+]2CCOCC2)CC1)N[C@@H]1CC[NH2+]C1 ZINC000627021282 356568218 /nfs/dbraw/zinc/56/82/18/356568218.db2.gz SVTJXUGRKBNLIB-LLVKDONJSA-N 2 2 268.361 -0.488 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000627065765 356571476 /nfs/dbraw/zinc/57/14/76/356571476.db2.gz JZTWYPRQGIXVJY-VXGBXAGGSA-N 2 2 270.377 -0.242 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000627065765 356571478 /nfs/dbraw/zinc/57/14/78/356571478.db2.gz JZTWYPRQGIXVJY-VXGBXAGGSA-N 2 2 270.377 -0.242 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)NCC[NH2+]C1CC1 ZINC000627067576 356572356 /nfs/dbraw/zinc/57/23/56/356572356.db2.gz BFLJQUVQXJRSBD-NSHDSACASA-N 2 2 256.350 -0.632 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)NCC[NH2+]C1CC1 ZINC000627067576 356572359 /nfs/dbraw/zinc/57/23/59/356572359.db2.gz BFLJQUVQXJRSBD-NSHDSACASA-N 2 2 256.350 -0.632 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)NCC1([NH3+])CCOCC1 ZINC000627148115 356588624 /nfs/dbraw/zinc/58/86/24/356588624.db2.gz XWWMWKJAOKTIOI-NSHDSACASA-N 2 2 286.376 -0.876 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)NCC1([NH3+])CCOCC1 ZINC000627148115 356588628 /nfs/dbraw/zinc/58/86/28/356588628.db2.gz XWWMWKJAOKTIOI-NSHDSACASA-N 2 2 286.376 -0.876 20 0 CBADLP CC(C)[C@@H]([NH3+])CNC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000627076743 356575408 /nfs/dbraw/zinc/57/54/08/356575408.db2.gz HNIBERRYOKLBGC-QWRGUYRKSA-N 2 2 258.366 -0.401 20 0 CBADLP CC(C)[C@@H]([NH3+])CNC(=O)NC[C@H]1COCC[N@H+]1C ZINC000627076743 356575414 /nfs/dbraw/zinc/57/54/14/356575414.db2.gz HNIBERRYOKLBGC-QWRGUYRKSA-N 2 2 258.366 -0.401 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000627079729 356576712 /nfs/dbraw/zinc/57/67/12/356576712.db2.gz XBBDEUAZTJIKGH-MNOVXSKESA-N 2 2 256.350 -0.647 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000627079729 356576716 /nfs/dbraw/zinc/57/67/16/356576716.db2.gz XBBDEUAZTJIKGH-MNOVXSKESA-N 2 2 256.350 -0.647 20 0 CBADLP CC[NH2+][C@H](C)CNC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000627090269 356581542 /nfs/dbraw/zinc/58/15/42/356581542.db2.gz RGBMJCTYVQPQNR-GHMZBOCLSA-N 2 2 258.366 -0.386 20 0 CBADLP CC[NH2+][C@H](C)CNC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000627090269 356581544 /nfs/dbraw/zinc/58/15/44/356581544.db2.gz RGBMJCTYVQPQNR-GHMZBOCLSA-N 2 2 258.366 -0.386 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000627101728 356582671 /nfs/dbraw/zinc/58/26/71/356582671.db2.gz DVSFFJAXVAVEKH-SRVKXCTJSA-N 2 2 270.377 -0.256 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000627101728 356582673 /nfs/dbraw/zinc/58/26/73/356582673.db2.gz DVSFFJAXVAVEKH-SRVKXCTJSA-N 2 2 270.377 -0.256 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N[C@H](CC[NH3+])C(F)F ZINC000627099471 356582795 /nfs/dbraw/zinc/58/27/95/356582795.db2.gz RRNIGTUDEZEMAD-DTWKUNHWSA-N 2 2 280.319 -0.401 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N[C@H](CC[NH3+])C(F)F ZINC000627099471 356582798 /nfs/dbraw/zinc/58/27/98/356582798.db2.gz RRNIGTUDEZEMAD-DTWKUNHWSA-N 2 2 280.319 -0.401 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)NCC1([NH3+])CCCC1 ZINC000627113221 356585998 /nfs/dbraw/zinc/58/59/98/356585998.db2.gz WCKXPZCTQHUBHM-NSHDSACASA-N 2 2 270.377 -0.112 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)NCC1([NH3+])CCCC1 ZINC000627113221 356586003 /nfs/dbraw/zinc/58/60/03/356586003.db2.gz WCKXPZCTQHUBHM-NSHDSACASA-N 2 2 270.377 -0.112 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)NCC12CC(C1)C[NH2+]2 ZINC000627117454 356586097 /nfs/dbraw/zinc/58/60/97/356586097.db2.gz WEBCAXJYPRIZBC-AKJDGMEZSA-N 2 2 268.361 -0.632 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)NCC12CC(C1)C[NH2+]2 ZINC000627117454 356586102 /nfs/dbraw/zinc/58/61/02/356586102.db2.gz WEBCAXJYPRIZBC-AKJDGMEZSA-N 2 2 268.361 -0.632 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000627118877 356586887 /nfs/dbraw/zinc/58/68/87/356586887.db2.gz CWOZFMXULHJMJJ-NWDGAFQWSA-N 2 2 282.388 -0.242 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000627118877 356586892 /nfs/dbraw/zinc/58/68/92/356586892.db2.gz CWOZFMXULHJMJJ-NWDGAFQWSA-N 2 2 282.388 -0.242 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627127139 356587511 /nfs/dbraw/zinc/58/75/11/356587511.db2.gz TXLOBVRWRHECCP-NEPJUHHUSA-N 2 2 282.388 -0.099 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627127139 356587515 /nfs/dbraw/zinc/58/75/15/356587515.db2.gz TXLOBVRWRHECCP-NEPJUHHUSA-N 2 2 282.388 -0.099 20 0 CBADLP [NH3+]CCCOCCNC(=O)N1CCn2c[nH+]cc2C1 ZINC000627218114 356608041 /nfs/dbraw/zinc/60/80/41/356608041.db2.gz MMPNDGNPTVKVDG-UHFFFAOYSA-N 2 2 267.333 -0.226 20 0 CBADLP O=C(N[C@@H]1CC[NH2+]C1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000627252681 356615065 /nfs/dbraw/zinc/61/50/65/356615065.db2.gz CSGOZALVEVVKHC-NEPJUHHUSA-N 2 2 268.361 -0.536 20 0 CBADLP C[C@H]([NH3+])[C@@H]1CN(C(=O)NC[C@@H]2COCC[N@@H+]2C)CCO1 ZINC000627182607 356595054 /nfs/dbraw/zinc/59/50/54/356595054.db2.gz BBWFYPKRYBWOQN-TUAOUCFPSA-N 2 2 286.376 -0.925 20 0 CBADLP C[C@H]([NH3+])[C@@H]1CN(C(=O)NC[C@@H]2COCC[N@H+]2C)CCO1 ZINC000627182607 356595057 /nfs/dbraw/zinc/59/50/57/356595057.db2.gz BBWFYPKRYBWOQN-TUAOUCFPSA-N 2 2 286.376 -0.925 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)N1CCC(C[NH3+])CC1 ZINC000627183535 356595931 /nfs/dbraw/zinc/59/59/31/356595931.db2.gz LQVONAPEGSAPAL-GFCCVEGCSA-N 2 2 270.377 -0.303 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)N1CCC(C[NH3+])CC1 ZINC000627183535 356595937 /nfs/dbraw/zinc/59/59/37/356595937.db2.gz LQVONAPEGSAPAL-GFCCVEGCSA-N 2 2 270.377 -0.303 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)N1CCC[C@@H]1C[NH3+] ZINC000627183945 356597336 /nfs/dbraw/zinc/59/73/36/356597336.db2.gz PMRJPDMOKXFTGY-GHMZBOCLSA-N 2 2 256.350 -0.550 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)N1CCC[C@@H]1C[NH3+] ZINC000627183945 356597339 /nfs/dbraw/zinc/59/73/39/356597339.db2.gz PMRJPDMOKXFTGY-GHMZBOCLSA-N 2 2 256.350 -0.550 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CCC[NH2+]CC1 ZINC000627184425 356597472 /nfs/dbraw/zinc/59/74/72/356597472.db2.gz XRFDGZGAOYWYCC-NSHDSACASA-N 2 2 256.350 -0.678 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N1CCC[NH2+]CC1 ZINC000627184425 356597475 /nfs/dbraw/zinc/59/74/75/356597475.db2.gz XRFDGZGAOYWYCC-NSHDSACASA-N 2 2 256.350 -0.678 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)NC(C)(C)CC[NH3+] ZINC000627183976 356597601 /nfs/dbraw/zinc/59/76/01/356597601.db2.gz QCGOBGANMFPOOE-SNVBAGLBSA-N 2 2 258.366 -0.256 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)NC(C)(C)CC[NH3+] ZINC000627183976 356597603 /nfs/dbraw/zinc/59/76/03/356597603.db2.gz QCGOBGANMFPOOE-SNVBAGLBSA-N 2 2 258.366 -0.256 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000627184161 356597638 /nfs/dbraw/zinc/59/76/38/356597638.db2.gz RZQHZAZDQLIRSC-FRRDWIJNSA-N 2 2 282.388 -0.147 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000627184161 356597641 /nfs/dbraw/zinc/59/76/41/356597641.db2.gz RZQHZAZDQLIRSC-FRRDWIJNSA-N 2 2 282.388 -0.147 20 0 CBADLP O=C(NC[C@H]1COCC[NH2+]1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000627191545 356602009 /nfs/dbraw/zinc/60/20/09/356602009.db2.gz SHOHIBGABWASIA-QWHCGFSZSA-N 2 2 298.387 -0.909 20 0 CBADLP C[C@@H]1CC[C@@H](NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])C[NH2+]1 ZINC000627208022 356604931 /nfs/dbraw/zinc/60/49/31/356604931.db2.gz VOSVOXPMYLJOAW-UTUOFQBUSA-N 3 2 269.393 -0.589 20 0 CBADLP C[C@@H]1CC[C@@H](NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])C[NH2+]1 ZINC000627208022 356604935 /nfs/dbraw/zinc/60/49/35/356604935.db2.gz VOSVOXPMYLJOAW-UTUOFQBUSA-N 3 2 269.393 -0.589 20 0 CBADLP CN(C)c1[nH+]cccc1CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627351932 356630424 /nfs/dbraw/zinc/63/04/24/356630424.db2.gz HJDAKEFLYRNERS-LLVKDONJSA-N 2 2 291.355 -0.758 20 0 CBADLP CC1(C)C[NH+](CC(=O)N2CC[C@@H]([N@@H+]3CC[C@H](O)C3)C2)C1 ZINC000627267187 356617097 /nfs/dbraw/zinc/61/70/97/356617097.db2.gz KQZYZQQXOWAPDE-OLZOCXBDSA-N 2 2 281.400 -0.004 20 0 CBADLP CC1(C)C[NH+](CC(=O)N2CC[C@@H]([N@H+]3CC[C@H](O)C3)C2)C1 ZINC000627267187 356617100 /nfs/dbraw/zinc/61/71/00/356617100.db2.gz KQZYZQQXOWAPDE-OLZOCXBDSA-N 2 2 281.400 -0.004 20 0 CBADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCCn1cc[nH+]c1 ZINC000627300046 356622419 /nfs/dbraw/zinc/62/24/19/356622419.db2.gz MZYQLFLUVJRLAZ-WDEREUQCSA-N 2 2 279.344 -0.744 20 0 CBADLP C[C@H]1CC[C@@H](NC(=O)C(=O)NCCc2cn(C)c[nH+]2)C[NH2+]1 ZINC000627307636 356623353 /nfs/dbraw/zinc/62/33/53/356623353.db2.gz RXNARHUMPRPDIZ-WDEREUQCSA-N 2 2 293.371 -0.665 20 0 CBADLP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000627504424 356660052 /nfs/dbraw/zinc/66/00/52/356660052.db2.gz NADMBTCLKNPDTO-GHMZBOCLSA-N 2 2 291.355 -0.059 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000628004911 356683024 /nfs/dbraw/zinc/68/30/24/356683024.db2.gz IJNNXAMOVRCBAO-GFCCVEGCSA-N 2 2 264.329 -0.531 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000628004911 356683028 /nfs/dbraw/zinc/68/30/28/356683028.db2.gz IJNNXAMOVRCBAO-GFCCVEGCSA-N 2 2 264.329 -0.531 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628918021 356740712 /nfs/dbraw/zinc/74/07/12/356740712.db2.gz MVHXOGSGUQDQIW-OLZOCXBDSA-N 2 2 285.388 -0.599 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000628918021 356740714 /nfs/dbraw/zinc/74/07/14/356740714.db2.gz MVHXOGSGUQDQIW-OLZOCXBDSA-N 2 2 285.388 -0.599 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628918022 356740917 /nfs/dbraw/zinc/74/09/17/356740917.db2.gz MVHXOGSGUQDQIW-QWHCGFSZSA-N 2 2 285.388 -0.599 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628918022 356740920 /nfs/dbraw/zinc/74/09/20/356740920.db2.gz MVHXOGSGUQDQIW-QWHCGFSZSA-N 2 2 285.388 -0.599 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2COCC[NH+]2C)C1 ZINC000628919811 356741135 /nfs/dbraw/zinc/74/11/35/356741135.db2.gz WBFPIQOCKSRMFK-NEPJUHHUSA-N 2 2 271.361 -0.846 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2COCC[NH+]2C)C1 ZINC000628919811 356741139 /nfs/dbraw/zinc/74/11/39/356741139.db2.gz WBFPIQOCKSRMFK-NEPJUHHUSA-N 2 2 271.361 -0.846 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2COCC[N@@H+]2C)C1 ZINC000628919811 356741143 /nfs/dbraw/zinc/74/11/43/356741143.db2.gz WBFPIQOCKSRMFK-NEPJUHHUSA-N 2 2 271.361 -0.846 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2COCC[N@H+]2C)C1 ZINC000628919811 356741147 /nfs/dbraw/zinc/74/11/47/356741147.db2.gz WBFPIQOCKSRMFK-NEPJUHHUSA-N 2 2 271.361 -0.846 20 0 CBADLP CN1CCOC[C@@H]1C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000629532616 356776937 /nfs/dbraw/zinc/77/69/37/356776937.db2.gz JXOWFBQMALLDTP-IHRRRGAJSA-N 2 2 269.389 -0.326 20 0 CBADLP O=C(N1CC[NH2+]CC1)N1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000629546609 356778566 /nfs/dbraw/zinc/77/85/66/356778566.db2.gz USBUTILPWJDHBH-ZDUSSCGKSA-N 3 2 281.404 -0.761 20 0 CBADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000629560356 356779665 /nfs/dbraw/zinc/77/96/65/356779665.db2.gz LUXRITSGVHPACX-CABCVRRESA-N 3 2 284.448 -0.331 20 0 CBADLP O=C(NCC[N@H+]1CC[C@@H](O)C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000629168615 356749905 /nfs/dbraw/zinc/74/99/05/356749905.db2.gz LAVCEKVZLGUQQN-DGCLKSJQSA-N 2 2 278.356 -0.372 20 0 CBADLP O=C(NCC[N@@H+]1CC[C@@H](O)C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000629168615 356749906 /nfs/dbraw/zinc/74/99/06/356749906.db2.gz LAVCEKVZLGUQQN-DGCLKSJQSA-N 2 2 278.356 -0.372 20 0 CBADLP O=C(NCC[N@H+]1CC[C@@H](O)C1)[C@H]1CCc2[nH+]ccn2C1 ZINC000629169181 356751208 /nfs/dbraw/zinc/75/12/08/356751208.db2.gz OPGDSHZXWCXNHE-NWDGAFQWSA-N 2 2 278.356 -0.372 20 0 CBADLP O=C(NCC[N@@H+]1CC[C@@H](O)C1)[C@H]1CCc2[nH+]ccn2C1 ZINC000629169181 356751209 /nfs/dbraw/zinc/75/12/09/356751209.db2.gz OPGDSHZXWCXNHE-NWDGAFQWSA-N 2 2 278.356 -0.372 20 0 CBADLP C[C@H](C[NH2+]C[C@H](O)C[NH+]1CCCC1)CN1CC[NH+](C)CC1 ZINC000629559552 356779884 /nfs/dbraw/zinc/77/98/84/356779884.db2.gz BGMANNXDTFKKEB-CVEARBPZSA-N 3 2 298.475 -0.084 20 0 CBADLP NC(=O)[C@H]1C[C@H]([NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000629524689 356776015 /nfs/dbraw/zinc/77/60/15/356776015.db2.gz TXILOTCLVQTNTP-FIQHERPVSA-N 2 2 253.346 -0.393 20 0 CBADLP C[C@@]1(C[NH+]2CCN(c3nccnn3)CC2)CC[NH2+]C1 ZINC000629649474 356789367 /nfs/dbraw/zinc/78/93/67/356789367.db2.gz BZIVQUFJPDPHFI-CYBMUJFWSA-N 2 2 262.361 -0.007 20 0 CBADLP CCN(CC[NH3+])C(=O)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000629801010 356796112 /nfs/dbraw/zinc/79/61/12/356796112.db2.gz GRDMLDYXXSGCST-UHFFFAOYSA-N 2 2 281.360 -0.461 20 0 CBADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NCC[NH+]1CC[C@H](O)C1 ZINC000629915224 356807281 /nfs/dbraw/zinc/80/72/81/356807281.db2.gz GAXJHJFUTWVWSU-KBPBESRZSA-N 2 2 299.415 -0.330 20 0 CBADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NCC[NH+]1CC[C@H](O)C1 ZINC000629915224 356807282 /nfs/dbraw/zinc/80/72/82/356807282.db2.gz GAXJHJFUTWVWSU-KBPBESRZSA-N 2 2 299.415 -0.330 20 0 CBADLP CCCC[NH+]1CCOC[C@H]1C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000629915224 356807283 /nfs/dbraw/zinc/80/72/83/356807283.db2.gz GAXJHJFUTWVWSU-KBPBESRZSA-N 2 2 299.415 -0.330 20 0 CBADLP CCCC[NH+]1CCOC[C@H]1C(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000629915224 356807285 /nfs/dbraw/zinc/80/72/85/356807285.db2.gz GAXJHJFUTWVWSU-KBPBESRZSA-N 2 2 299.415 -0.330 20 0 CBADLP O[C@@H](CNCC[N@@H+]1CCCOCC1)C[NH+]1CCCC1 ZINC000629576493 356781945 /nfs/dbraw/zinc/78/19/45/356781945.db2.gz MTJSWINHRROUAJ-AWEZNQCLSA-N 2 2 271.405 -0.245 20 0 CBADLP O[C@@H](CNCC[N@H+]1CCCOCC1)C[NH+]1CCCC1 ZINC000629576493 356781947 /nfs/dbraw/zinc/78/19/47/356781947.db2.gz MTJSWINHRROUAJ-AWEZNQCLSA-N 2 2 271.405 -0.245 20 0 CBADLP O[C@@H](C[NH2+]CCN1CCCOCC1)C[NH+]1CCCC1 ZINC000629576493 356781949 /nfs/dbraw/zinc/78/19/49/356781949.db2.gz MTJSWINHRROUAJ-AWEZNQCLSA-N 2 2 271.405 -0.245 20 0 CBADLP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)C1(S(C)(=O)=O)CC1 ZINC000629580460 356782258 /nfs/dbraw/zinc/78/22/58/356782258.db2.gz CLMKALIIHKAVSQ-NWDGAFQWSA-N 2 2 290.429 -0.002 20 0 CBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000629606074 356785988 /nfs/dbraw/zinc/78/59/88/356785988.db2.gz CMFZZXXGILAZGF-GZBFAFLISA-N 2 2 297.399 -0.863 20 0 CBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000629606078 356786168 /nfs/dbraw/zinc/78/61/68/356786168.db2.gz CMFZZXXGILAZGF-YDHLFZDLSA-N 2 2 297.399 -0.863 20 0 CBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@H]([NH3+])C1CCC1 ZINC000629606628 356786202 /nfs/dbraw/zinc/78/62/02/356786202.db2.gz KFWUJUMXSNFDOL-CHWSQXEVSA-N 2 2 285.388 -0.735 20 0 CBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CC1(C[NH3+])CC1 ZINC000629606325 356786424 /nfs/dbraw/zinc/78/64/24/356786424.db2.gz FPXBJDGSWOFQFI-GFCCVEGCSA-N 2 2 285.388 -0.733 20 0 CBADLP C[NH2+]CCCC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000629607731 356787182 /nfs/dbraw/zinc/78/71/82/356787182.db2.gz YAIXOAPNXNQXSU-LBPRGKRZSA-N 2 2 273.377 -0.863 20 0 CBADLP CO[C@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)[C@](C)(C[NH3+])C1 ZINC000630368611 356839658 /nfs/dbraw/zinc/83/96/58/356839658.db2.gz SDLVJZATKQCEJE-HIFRSBDPSA-N 3 2 298.431 -0.411 20 0 CBADLP CO[C@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)[C@](C)(C[NH3+])C1 ZINC000630368611 356839661 /nfs/dbraw/zinc/83/96/61/356839661.db2.gz SDLVJZATKQCEJE-HIFRSBDPSA-N 3 2 298.431 -0.411 20 0 CBADLP CO[C@H]1CN(CCC(=O)N2CC[NH+](C)CC2)[C@](C)(C[NH3+])C1 ZINC000630368611 356839663 /nfs/dbraw/zinc/83/96/63/356839663.db2.gz SDLVJZATKQCEJE-HIFRSBDPSA-N 2 2 298.431 -0.411 20 0 CBADLP CO[C@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)[C@@](C)(C[NH3+])C1 ZINC000630368612 356839779 /nfs/dbraw/zinc/83/97/79/356839779.db2.gz SDLVJZATKQCEJE-UKRRQHHQSA-N 3 2 298.431 -0.411 20 0 CBADLP CO[C@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)[C@@](C)(C[NH3+])C1 ZINC000630368612 356839782 /nfs/dbraw/zinc/83/97/82/356839782.db2.gz SDLVJZATKQCEJE-UKRRQHHQSA-N 3 2 298.431 -0.411 20 0 CBADLP CO[C@H]1CN(CCC(=O)N2CC[NH+](C)CC2)[C@@](C)(C[NH3+])C1 ZINC000630368612 356839785 /nfs/dbraw/zinc/83/97/85/356839785.db2.gz SDLVJZATKQCEJE-UKRRQHHQSA-N 2 2 298.431 -0.411 20 0 CBADLP O=C(NCCn1cc[nH+]c1)NCC[N@H+]1CC[C@@H](O)C1 ZINC000630396138 356842704 /nfs/dbraw/zinc/84/27/04/356842704.db2.gz ASPUOPMPYZUSCC-LLVKDONJSA-N 2 2 267.333 -0.751 20 0 CBADLP O=C(NCCn1cc[nH+]c1)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000630396138 356842706 /nfs/dbraw/zinc/84/27/06/356842706.db2.gz ASPUOPMPYZUSCC-LLVKDONJSA-N 2 2 267.333 -0.751 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000630398901 356843599 /nfs/dbraw/zinc/84/35/99/356843599.db2.gz KBSYAGPZIMEHSE-RYUDHWBXSA-N 2 2 281.360 -0.363 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000630398901 356843602 /nfs/dbraw/zinc/84/36/02/356843602.db2.gz KBSYAGPZIMEHSE-RYUDHWBXSA-N 2 2 281.360 -0.363 20 0 CBADLP COCC[N@H+](C)Cc1cn(C[C@H]2C[NH2+]CCO2)nn1 ZINC000630617243 356856263 /nfs/dbraw/zinc/85/62/63/356856263.db2.gz RHLQYIBFFISNPY-GFCCVEGCSA-N 2 2 269.349 -0.655 20 0 CBADLP COCC[N@@H+](C)Cc1cn(C[C@H]2C[NH2+]CCO2)nn1 ZINC000630617243 356856266 /nfs/dbraw/zinc/85/62/66/356856266.db2.gz RHLQYIBFFISNPY-GFCCVEGCSA-N 2 2 269.349 -0.655 20 0 CBADLP C[N@H+](CCNS(=O)(=O)C[C@H]1C[NH+](C)CCO1)C1CC1 ZINC000631795983 356907824 /nfs/dbraw/zinc/90/78/24/356907824.db2.gz NKAMZFFAIFPJLT-GFCCVEGCSA-N 2 2 291.417 -0.669 20 0 CBADLP C[N@@H+](CCNS(=O)(=O)C[C@H]1C[NH+](C)CCO1)C1CC1 ZINC000631795983 356907827 /nfs/dbraw/zinc/90/78/27/356907827.db2.gz NKAMZFFAIFPJLT-GFCCVEGCSA-N 2 2 291.417 -0.669 20 0 CBADLP C[NH+](CCNS(=O)(=O)C[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC000631795983 356907830 /nfs/dbraw/zinc/90/78/30/356907830.db2.gz NKAMZFFAIFPJLT-GFCCVEGCSA-N 2 2 291.417 -0.669 20 0 CBADLP C[NH+](CCNS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC000631795983 356907834 /nfs/dbraw/zinc/90/78/34/356907834.db2.gz NKAMZFFAIFPJLT-GFCCVEGCSA-N 2 2 291.417 -0.669 20 0 CBADLP C[N@H+](CCOCC[NH3+])CC(=O)Nc1ccccn1 ZINC000631830105 356909610 /nfs/dbraw/zinc/90/96/10/356909610.db2.gz JZFMNSQGDIZIAG-UHFFFAOYSA-N 2 2 252.318 -0.073 20 0 CBADLP C[N@@H+](CCOCC[NH3+])CC(=O)Nc1ccccn1 ZINC000631830105 356909613 /nfs/dbraw/zinc/90/96/13/356909613.db2.gz JZFMNSQGDIZIAG-UHFFFAOYSA-N 2 2 252.318 -0.073 20 0 CBADLP CCN(CC(F)(F)F)C(=O)C[N@H+](C)C[C@H](O)C[NH3+] ZINC000631826950 356909893 /nfs/dbraw/zinc/90/98/93/356909893.db2.gz AVCULZUOVBVRPU-MRVPVSSYSA-N 2 2 271.283 -0.351 20 0 CBADLP CCN(CC(F)(F)F)C(=O)C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000631826950 356909894 /nfs/dbraw/zinc/90/98/94/356909894.db2.gz AVCULZUOVBVRPU-MRVPVSSYSA-N 2 2 271.283 -0.351 20 0 CBADLP Cn1c(C[N@@H+]2CCCCC[C@@H]([NH3+])C2)cc(=O)n(C)c1=O ZINC000631833144 356909921 /nfs/dbraw/zinc/90/99/21/356909921.db2.gz UERNANAMJKLRED-LLVKDONJSA-N 2 2 280.372 -0.213 20 0 CBADLP Cn1c(C[N@H+]2CCCCC[C@@H]([NH3+])C2)cc(=O)n(C)c1=O ZINC000631833144 356909924 /nfs/dbraw/zinc/90/99/24/356909924.db2.gz UERNANAMJKLRED-LLVKDONJSA-N 2 2 280.372 -0.213 20 0 CBADLP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000631861603 356913665 /nfs/dbraw/zinc/91/36/65/356913665.db2.gz FLAOEPHWFPVLMB-VXGBXAGGSA-N 3 2 254.378 -0.428 20 0 CBADLP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000631861603 356913666 /nfs/dbraw/zinc/91/36/66/356913666.db2.gz FLAOEPHWFPVLMB-VXGBXAGGSA-N 3 2 254.378 -0.428 20 0 CBADLP CN(C)S(=O)(=O)CCC[NH+]1CCC([NH2+]CCO)CC1 ZINC000631864766 356913788 /nfs/dbraw/zinc/91/37/88/356913788.db2.gz UYDTUUGLTOQMBD-UHFFFAOYSA-N 2 2 293.433 -0.686 20 0 CBADLP O=C(CC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)N1CC[NH2+]CC1 ZINC000631890988 356916201 /nfs/dbraw/zinc/91/62/01/356916201.db2.gz WTBALMHBDJMKMP-KBPBESRZSA-N 3 2 280.416 -0.118 20 0 CBADLP O=C(CC[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)N1CC[NH2+]CC1 ZINC000631890988 356916203 /nfs/dbraw/zinc/91/62/03/356916203.db2.gz WTBALMHBDJMKMP-KBPBESRZSA-N 3 2 280.416 -0.118 20 0 CBADLP CN(C)S(=O)(=O)CC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631889614 356916307 /nfs/dbraw/zinc/91/63/07/356916307.db2.gz IEEZARHUAXIWQG-NWDGAFQWSA-N 2 2 275.418 -0.048 20 0 CBADLP CN(C)S(=O)(=O)CC[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631889614 356916310 /nfs/dbraw/zinc/91/63/10/356916310.db2.gz IEEZARHUAXIWQG-NWDGAFQWSA-N 2 2 275.418 -0.048 20 0 CBADLP C(C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)N1CC[NH2+]CC1 ZINC000631891030 356916394 /nfs/dbraw/zinc/91/63/94/356916394.db2.gz XKZQHBNOWIIGMQ-UONOGXRCSA-N 3 2 252.406 -0.035 20 0 CBADLP C(C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)N1CC[NH2+]CC1 ZINC000631891030 356916398 /nfs/dbraw/zinc/91/63/98/356916398.db2.gz XKZQHBNOWIIGMQ-UONOGXRCSA-N 3 2 252.406 -0.035 20 0 CBADLP CCS(=O)(=O)NCC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631887850 356916680 /nfs/dbraw/zinc/91/66/80/356916680.db2.gz QZNSYHODBDLNFT-NWDGAFQWSA-N 2 2 275.418 0.000 20 0 CBADLP CCS(=O)(=O)NCC[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631887850 356916682 /nfs/dbraw/zinc/91/66/82/356916682.db2.gz QZNSYHODBDLNFT-NWDGAFQWSA-N 2 2 275.418 0.000 20 0 CBADLP C[NH+](C)CCCS(=O)(=O)NCC(F)(F)C[NH3+] ZINC000631929768 356924983 /nfs/dbraw/zinc/92/49/83/356924983.db2.gz NXSBHOKEPVMTBR-UHFFFAOYSA-N 2 2 259.322 -0.549 20 0 CBADLP C[NH+](C)CCCS(=O)(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000631940335 356929896 /nfs/dbraw/zinc/92/98/96/356929896.db2.gz TZLFXTXDTRYQPN-NSHDSACASA-N 2 2 281.397 -0.099 20 0 CBADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H]2CCCNC2=O)CC1 ZINC000631625909 356897872 /nfs/dbraw/zinc/89/78/72/356897872.db2.gz RHYMBKKMFKOITN-CYBMUJFWSA-N 2 2 296.415 -0.345 20 0 CBADLP C[NH+](C)CCCS(=O)(=O)NCCC[NH+]1CCOCC1 ZINC000631639139 356898625 /nfs/dbraw/zinc/89/86/25/356898625.db2.gz WLCCKDFOJATJPT-UHFFFAOYSA-N 2 2 293.433 -0.420 20 0 CBADLP C[NH+](C)C1(CS(=O)(=O)N2CC[NH+](CCO)CC2)CC1 ZINC000631680455 356901520 /nfs/dbraw/zinc/90/15/20/356901520.db2.gz ZZLQZUXUDHOFTR-UHFFFAOYSA-N 2 2 291.417 -0.980 20 0 CBADLP C[N@H+](CCc1cnccn1)CC(=O)N1CC[NH+](C)CC1 ZINC000329149985 202206971 /nfs/dbraw/zinc/20/69/71/202206971.db2.gz RCVKLPSBPIHOJJ-UHFFFAOYSA-N 2 2 277.372 -0.275 20 0 CBADLP C[N@@H+](CCc1cnccn1)CC(=O)N1CC[NH+](C)CC1 ZINC000329149985 202206974 /nfs/dbraw/zinc/20/69/74/202206974.db2.gz RCVKLPSBPIHOJJ-UHFFFAOYSA-N 2 2 277.372 -0.275 20 0 CBADLP COc1cc[nH+]cc1NC(=O)C(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000633039407 357037968 /nfs/dbraw/zinc/03/79/68/357037968.db2.gz TUWMUFJLUJEMOF-DTWKUNHWSA-N 2 2 278.312 -0.023 20 0 CBADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C3CC3)CC2)C[C@H]1C[NH3+] ZINC000633077600 357040266 /nfs/dbraw/zinc/04/02/66/357040266.db2.gz AFHYWZBVIJDKQL-VXGBXAGGSA-N 2 2 294.399 -0.654 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)CC1 ZINC000633086609 357041551 /nfs/dbraw/zinc/04/15/51/357041551.db2.gz AIHNGMLYVLROGG-VXGBXAGGSA-N 2 2 282.388 -0.796 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2CCCCC[C@@H]([NH3+])C2)CC1 ZINC000633087669 357042540 /nfs/dbraw/zinc/04/25/40/357042540.db2.gz FGFSAHRYESQYOV-CYBMUJFWSA-N 2 2 296.415 -0.120 20 0 CBADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000632644974 357014409 /nfs/dbraw/zinc/01/44/09/357014409.db2.gz ROYRIYKYCVPHPN-LLVKDONJSA-N 2 2 293.371 -0.079 20 0 CBADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000632644974 357014413 /nfs/dbraw/zinc/01/44/13/357014413.db2.gz ROYRIYKYCVPHPN-LLVKDONJSA-N 2 2 293.371 -0.079 20 0 CBADLP CC(=O)NCC(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000634197536 357109304 /nfs/dbraw/zinc/10/93/04/357109304.db2.gz JXJSIAMPRJORTH-UHFFFAOYSA-N 2 2 291.355 -0.092 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CCc1cn[nH]n1 ZINC000633616070 357075581 /nfs/dbraw/zinc/07/55/81/357075581.db2.gz DIIWLVVLBLJVSD-UHFFFAOYSA-N 2 2 282.392 -0.263 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CCc1cn[nH]n1 ZINC000633616070 357075583 /nfs/dbraw/zinc/07/55/83/357075583.db2.gz DIIWLVVLBLJVSD-UHFFFAOYSA-N 2 2 282.392 -0.263 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CCc1c[nH]nn1 ZINC000633616070 357075587 /nfs/dbraw/zinc/07/55/87/357075587.db2.gz DIIWLVVLBLJVSD-UHFFFAOYSA-N 2 2 282.392 -0.263 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CCc1c[nH]nn1 ZINC000633616070 357075589 /nfs/dbraw/zinc/07/55/89/357075589.db2.gz DIIWLVVLBLJVSD-UHFFFAOYSA-N 2 2 282.392 -0.263 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc(CO)on1 ZINC000633616043 357076032 /nfs/dbraw/zinc/07/60/32/357076032.db2.gz CNVVXLLXABGASR-UHFFFAOYSA-N 2 2 284.360 -0.220 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc(CO)on1 ZINC000633616043 357076034 /nfs/dbraw/zinc/07/60/34/357076034.db2.gz CNVVXLLXABGASR-UHFFFAOYSA-N 2 2 284.360 -0.220 20 0 CBADLP CC(=O)N1CCC[C@H]1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000633617362 357076143 /nfs/dbraw/zinc/07/61/43/357076143.db2.gz KRABMUATWWSZPT-AWEZNQCLSA-N 2 2 298.431 -0.003 20 0 CBADLP CC(=O)N1CCC[C@H]1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000633617362 357076145 /nfs/dbraw/zinc/07/61/45/357076145.db2.gz KRABMUATWWSZPT-AWEZNQCLSA-N 2 2 298.431 -0.003 20 0 CBADLP CC1(C)C[NH2+]CC[C@@H](NC(=O)CN2CC[NH2+]CC2=O)C1 ZINC000634752648 357133698 /nfs/dbraw/zinc/13/36/98/357133698.db2.gz PSSDKNZKLZENPQ-LLVKDONJSA-N 2 2 282.388 -0.687 20 0 CBADLP CC(C)[C@@H](C[NH3+])C[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000634997346 357142620 /nfs/dbraw/zinc/14/26/20/357142620.db2.gz JIQVXKOKWPLESE-AWEZNQCLSA-N 3 2 297.447 -0.140 20 0 CBADLP O=C(N1CC[NH+](CCO)CC1)C12CCC[NH+](CCC1)C2 ZINC000635249466 357153807 /nfs/dbraw/zinc/15/38/07/357153807.db2.gz WHOHLNUEKHXWEM-UHFFFAOYSA-N 2 2 281.400 -0.001 20 0 CBADLP Cn1nccc1CC[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000634688425 357127060 /nfs/dbraw/zinc/12/70/60/357127060.db2.gz RWPJHTFNLFIGBC-CQSZACIVSA-N 2 2 291.399 -0.141 20 0 CBADLP Cn1nccc1CC[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000634688425 357127063 /nfs/dbraw/zinc/12/70/63/357127063.db2.gz RWPJHTFNLFIGBC-CQSZACIVSA-N 2 2 291.399 -0.141 20 0 CBADLP OCC(CO)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634718802 357128863 /nfs/dbraw/zinc/12/88/63/357128863.db2.gz JHOIEYBPKDHDRL-OAHLLOKOSA-N 2 2 280.368 -0.434 20 0 CBADLP OCC(CO)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634718802 357128866 /nfs/dbraw/zinc/12/88/66/357128866.db2.gz JHOIEYBPKDHDRL-OAHLLOKOSA-N 2 2 280.368 -0.434 20 0 CBADLP O[C@@H]1COC[C@@H]1[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634725242 357129642 /nfs/dbraw/zinc/12/96/42/357129642.db2.gz MHLQHVKIKZVARZ-ARFHVFGLSA-N 2 2 292.379 -0.027 20 0 CBADLP O[C@@H]1COC[C@@H]1[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634725242 357129644 /nfs/dbraw/zinc/12/96/44/357129644.db2.gz MHLQHVKIKZVARZ-ARFHVFGLSA-N 2 2 292.379 -0.027 20 0 CBADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H]1COC[C@@H]1O ZINC000634725368 357130045 /nfs/dbraw/zinc/13/00/45/357130045.db2.gz QBEDUSPRLCJYLH-ZNMIVQPWSA-N 2 2 280.368 -0.171 20 0 CBADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H]1COC[C@@H]1O ZINC000634725368 357130050 /nfs/dbraw/zinc/13/00/50/357130050.db2.gz QBEDUSPRLCJYLH-ZNMIVQPWSA-N 2 2 280.368 -0.171 20 0 CBADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@H]2C[C@@H](O)C2)CC1 ZINC000635664828 357190345 /nfs/dbraw/zinc/19/03/45/357190345.db2.gz DQTLHRHEXCETJE-BJHJDKERSA-N 2 2 269.389 -0.101 20 0 CBADLP CCc1c[nH]c(CC(=O)NCC[N@H+](CC)CCO)[nH+]1 ZINC000635810398 357211515 /nfs/dbraw/zinc/21/15/15/357211515.db2.gz VCFNFPLQMVGHGV-UHFFFAOYSA-N 2 2 268.361 -0.055 20 0 CBADLP CCc1c[nH]c(CC(=O)NCC[N@@H+](CC)CCO)[nH+]1 ZINC000635810398 357211521 /nfs/dbraw/zinc/21/15/21/357211521.db2.gz VCFNFPLQMVGHGV-UHFFFAOYSA-N 2 2 268.361 -0.055 20 0 CBADLP C[NH+](C)C[C@@H](CO)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635929549 357236210 /nfs/dbraw/zinc/23/62/10/357236210.db2.gz WBPTVQVVSZATDZ-IVZWLZJFSA-N 2 2 252.318 -0.448 20 0 CBADLP C[NH+](C)C[C@@H](CO)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635929549 357236212 /nfs/dbraw/zinc/23/62/12/357236212.db2.gz WBPTVQVVSZATDZ-IVZWLZJFSA-N 2 2 252.318 -0.448 20 0 CBADLP C[NH+](C)C[C@H](CO)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635929550 357236301 /nfs/dbraw/zinc/23/63/01/357236301.db2.gz WBPTVQVVSZATDZ-OPRDCNLKSA-N 2 2 252.318 -0.448 20 0 CBADLP C[NH+](C)C[C@H](CO)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635929550 357236302 /nfs/dbraw/zinc/23/63/02/357236302.db2.gz WBPTVQVVSZATDZ-OPRDCNLKSA-N 2 2 252.318 -0.448 20 0 CBADLP CC[NH+](CC)CCNC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000636445191 357284940 /nfs/dbraw/zinc/28/49/40/357284940.db2.gz CRSKJOIVBQOZNA-LBPRGKRZSA-N 2 2 272.393 -0.042 20 0 CBADLP CC[NH+](CC)CCNC(=O)NC[C@H]1COCC[N@H+]1C ZINC000636445191 357284942 /nfs/dbraw/zinc/28/49/42/357284942.db2.gz CRSKJOIVBQOZNA-LBPRGKRZSA-N 2 2 272.393 -0.042 20 0 CBADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000636619064 357293366 /nfs/dbraw/zinc/29/33/66/357293366.db2.gz UHPDLHHGHQMDLV-SNVBAGLBSA-N 2 2 291.355 -0.279 20 0 CBADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000636619064 357293368 /nfs/dbraw/zinc/29/33/68/357293368.db2.gz UHPDLHHGHQMDLV-SNVBAGLBSA-N 2 2 291.355 -0.279 20 0 CBADLP COCC[N@@H+]1CC[C@@H](NC(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1 ZINC000636820677 357304593 /nfs/dbraw/zinc/30/45/93/357304593.db2.gz YINHGXORACYSRS-VXGBXAGGSA-N 2 2 293.371 -0.172 20 0 CBADLP COCC[N@H+]1CC[C@@H](NC(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1 ZINC000636820677 357304597 /nfs/dbraw/zinc/30/45/97/357304597.db2.gz YINHGXORACYSRS-VXGBXAGGSA-N 2 2 293.371 -0.172 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000636047459 357255537 /nfs/dbraw/zinc/25/55/37/357255537.db2.gz ALEOUQAKRPTQAN-LBPRGKRZSA-N 2 2 266.345 -0.154 20 0 CBADLP C[C@H](C(=O)N1C[C@H](C)[N@H+](CCO)C[C@H]1C)[NH+](C)C ZINC000636035984 357255819 /nfs/dbraw/zinc/25/58/19/357255819.db2.gz WLMLKSDHZMAMKA-QJPTWQEYSA-N 2 2 257.378 -0.150 20 0 CBADLP C[C@H](C(=O)N1C[C@H](C)[N@@H+](CCO)C[C@H]1C)[NH+](C)C ZINC000636035984 357255821 /nfs/dbraw/zinc/25/58/21/357255821.db2.gz WLMLKSDHZMAMKA-QJPTWQEYSA-N 2 2 257.378 -0.150 20 0 CBADLP CCc1c[nH]c(CC(=O)NCC[N@@H+]2CC[C@@H](O)C2)[nH+]1 ZINC000636286831 357276440 /nfs/dbraw/zinc/27/64/40/357276440.db2.gz FSYPWJMIJBRGIW-LLVKDONJSA-N 2 2 266.345 -0.303 20 0 CBADLP CCc1c[nH]c(CC(=O)NCC[N@H+]2CC[C@@H](O)C2)[nH+]1 ZINC000636286831 357276445 /nfs/dbraw/zinc/27/64/45/357276445.db2.gz FSYPWJMIJBRGIW-LLVKDONJSA-N 2 2 266.345 -0.303 20 0 CBADLP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)C1([NH+](C)C)CC1 ZINC000636316520 357279942 /nfs/dbraw/zinc/27/99/42/357279942.db2.gz XLKGWTLDINYCFA-UHFFFAOYSA-N 2 2 282.388 -0.687 20 0 CBADLP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)CCc1[nH]cc[nH+]1 ZINC000636315177 357280165 /nfs/dbraw/zinc/28/01/65/357280165.db2.gz JEDFJGYUSNUKDK-UHFFFAOYSA-N 2 2 293.371 -0.425 20 0 CBADLP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC000636316872 357280294 /nfs/dbraw/zinc/28/02/94/357280294.db2.gz ABNVFUUYAGVPKY-CYBMUJFWSA-N 2 2 296.415 -0.297 20 0 CBADLP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@H]1CCCC[N@H+]1C ZINC000636316872 357280298 /nfs/dbraw/zinc/28/02/98/357280298.db2.gz ABNVFUUYAGVPKY-CYBMUJFWSA-N 2 2 296.415 -0.297 20 0 CBADLP C[C@@H](C(=O)NC1CCC([NH3+])CC1)N1CC[NH2+]CC1=O ZINC000637819408 357370580 /nfs/dbraw/zinc/37/05/80/357370580.db2.gz JBVDSUAHLOKHEL-WHXUTIOJSA-N 2 2 268.361 -0.807 20 0 CBADLP C[C@H](C(=O)NC1CCC([NH3+])CC1)N1CC[NH2+]CC1=O ZINC000637819407 357370628 /nfs/dbraw/zinc/37/06/28/357370628.db2.gz JBVDSUAHLOKHEL-KPPDAEKUSA-N 2 2 268.361 -0.807 20 0 CBADLP C[C@H](NC(=O)[C@H](C)N1CC[NH2+]CC1=O)[C@@H]1CCC[NH2+]C1 ZINC000637819380 357370748 /nfs/dbraw/zinc/37/07/48/357370748.db2.gz IOGLBRSLMGIPHQ-SDDRHHMPSA-N 2 2 282.388 -0.689 20 0 CBADLP CCCN(C(=O)[C@@H](C)N1CC[NH2+]CC1=O)[C@@H]1CC[NH2+]C1 ZINC000637832653 357372341 /nfs/dbraw/zinc/37/23/41/357372341.db2.gz LKUCEANFDUWEKR-VXGBXAGGSA-N 2 2 282.388 -0.593 20 0 CBADLP CCCN(C(=O)[C@@H](C)N1CC[NH2+]CC1=O)[C@H]1CC[NH2+]C1 ZINC000637832649 357372392 /nfs/dbraw/zinc/37/23/92/357372392.db2.gz LKUCEANFDUWEKR-NEPJUHHUSA-N 2 2 282.388 -0.593 20 0 CBADLP CC(C)[NH2+]CCCNC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000637828173 357373067 /nfs/dbraw/zinc/37/30/67/357373067.db2.gz DFEYIEDOLZSYJQ-LLVKDONJSA-N 2 2 270.377 -0.689 20 0 CBADLP Cc1nn(C)cc1CC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000637863692 357378168 /nfs/dbraw/zinc/37/81/68/357378168.db2.gz GVRQSFTXMSGVHJ-LBPRGKRZSA-N 2 2 265.361 -0.628 20 0 CBADLP Cc1nn(C)cc1CC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000637863692 357378170 /nfs/dbraw/zinc/37/81/70/357378170.db2.gz GVRQSFTXMSGVHJ-LBPRGKRZSA-N 2 2 265.361 -0.628 20 0 CBADLP CON1CCC(C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])CC1 ZINC000637863797 357378222 /nfs/dbraw/zinc/37/82/22/357378222.db2.gz HCKXTLKHNXJABD-LBPRGKRZSA-N 2 2 270.377 -0.639 20 0 CBADLP CON1CCC(C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])CC1 ZINC000637863797 357378227 /nfs/dbraw/zinc/37/82/27/357378227.db2.gz HCKXTLKHNXJABD-LBPRGKRZSA-N 2 2 270.377 -0.639 20 0 CBADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CCN(C)C[C@H]1C[NH3+])CC2 ZINC000637864089 357378258 /nfs/dbraw/zinc/37/82/58/357378258.db2.gz LSNOCTCDHLUNCJ-QWHCGFSZSA-N 2 2 291.399 -0.145 20 0 CBADLP C[C@H](NC(=O)N[C@@H]1Cc2c[nH+]cn2C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000636950682 357313154 /nfs/dbraw/zinc/31/31/54/357313154.db2.gz YVEQISFRIYJEFR-LOWVWBTDSA-N 2 2 293.371 -0.174 20 0 CBADLP C[NH+](C)CCOCCNC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000637079487 357321219 /nfs/dbraw/zinc/32/12/19/357321219.db2.gz YLKFAHQPOSGDSR-LBPRGKRZSA-N 2 2 288.392 -0.806 20 0 CBADLP CCC([NH3+])(CC)CNC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000637859126 357378300 /nfs/dbraw/zinc/37/83/00/357378300.db2.gz SPYAOIOUNZLSFB-SNVBAGLBSA-N 2 2 270.377 -0.560 20 0 CBADLP Cn1c[nH+]c(CCNC(=O)NCC[N@@H+]2CC[C@H](O)C2)c1 ZINC000637210505 357331429 /nfs/dbraw/zinc/33/14/29/357331429.db2.gz FHHNWPZRFHKZCV-LBPRGKRZSA-N 2 2 281.360 -0.672 20 0 CBADLP Cn1c[nH+]c(CCNC(=O)NCC[N@H+]2CC[C@H](O)C2)c1 ZINC000637210505 357331434 /nfs/dbraw/zinc/33/14/34/357331434.db2.gz FHHNWPZRFHKZCV-LBPRGKRZSA-N 2 2 281.360 -0.672 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)N1CC[NH+](C2CC2)CC1 ZINC000637449230 357353712 /nfs/dbraw/zinc/35/37/12/357353712.db2.gz YZNCMQOSCKNDTF-CYBMUJFWSA-N 2 2 282.388 -0.193 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)N1CC[NH+](C2CC2)CC1 ZINC000637449230 357353714 /nfs/dbraw/zinc/35/37/14/357353714.db2.gz YZNCMQOSCKNDTF-CYBMUJFWSA-N 2 2 282.388 -0.193 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)N2CC[NH+](C)C[C@H]2C[NH3+])CC[N@@H+]1C ZINC000637864027 357378424 /nfs/dbraw/zinc/37/84/24/357378424.db2.gz KLTVCFYWXYXYRH-FRRDWIJNSA-N 3 2 268.405 -0.182 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)N2CC[NH+](C)C[C@H]2C[NH3+])CC[N@H+]1C ZINC000637864027 357378426 /nfs/dbraw/zinc/37/84/26/357378426.db2.gz KLTVCFYWXYXYRH-FRRDWIJNSA-N 3 2 268.405 -0.182 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])CC[NH+]1C ZINC000637864027 357378429 /nfs/dbraw/zinc/37/84/29/357378429.db2.gz KLTVCFYWXYXYRH-FRRDWIJNSA-N 3 2 268.405 -0.182 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000637864112 357378575 /nfs/dbraw/zinc/37/85/75/357378575.db2.gz MKTQRZBARVFNOY-NSHDSACASA-N 3 2 251.334 -0.707 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])CC[NH+]1C ZINC000637864027 357378432 /nfs/dbraw/zinc/37/84/32/357378432.db2.gz KLTVCFYWXYXYRH-FRRDWIJNSA-N 3 2 268.405 -0.182 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000637864112 357378579 /nfs/dbraw/zinc/37/85/79/357378579.db2.gz MKTQRZBARVFNOY-NSHDSACASA-N 3 2 251.334 -0.707 20 0 CBADLP C[C@H](C(=O)NCC1([NH3+])CCCCCC1)N1CC[NH2+]CC1=O ZINC000637807563 357367525 /nfs/dbraw/zinc/36/75/25/357367525.db2.gz IVMZSXAYTXEUEQ-GFCCVEGCSA-N 2 2 296.415 -0.025 20 0 CBADLP C[C@@H](C(=O)N(C)C1CC[NH2+]CC1)N1CC[NH2+]CC1=O ZINC000637809498 357367857 /nfs/dbraw/zinc/36/78/57/357367857.db2.gz SBKXUIJWAPZOAA-JTQLQIEISA-N 2 2 268.361 -0.983 20 0 CBADLP CC(C)[NH+]1CCN(Cc2c[nH+]c(N)nc2N)CC1 ZINC000637892453 357382340 /nfs/dbraw/zinc/38/23/40/357382340.db2.gz LBVADLRRGHEGCY-UHFFFAOYSA-N 2 2 250.350 -0.172 20 0 CBADLP CC[C@H]1CN(Cc2c[nH+]c(N)nc2N)CC[N@@H+]1CCOC ZINC000638041398 357403837 /nfs/dbraw/zinc/40/38/37/357403837.db2.gz FMLMSSQTEJZVGD-LBPRGKRZSA-N 2 2 294.403 -0.156 20 0 CBADLP CC[C@H]1CN(Cc2c[nH+]c(N)nc2N)CC[N@H+]1CCOC ZINC000638041398 357403843 /nfs/dbraw/zinc/40/38/43/357403843.db2.gz FMLMSSQTEJZVGD-LBPRGKRZSA-N 2 2 294.403 -0.156 20 0 CBADLP CC[C@@H]1CN(Cc2c[nH+]c(N)nc2N)CC[N@@H+]1CCOC ZINC000638041397 357404133 /nfs/dbraw/zinc/40/41/33/357404133.db2.gz FMLMSSQTEJZVGD-GFCCVEGCSA-N 2 2 294.403 -0.156 20 0 CBADLP CC[C@@H]1CN(Cc2c[nH+]c(N)nc2N)CC[N@H+]1CCOC ZINC000638041397 357404134 /nfs/dbraw/zinc/40/41/34/357404134.db2.gz FMLMSSQTEJZVGD-GFCCVEGCSA-N 2 2 294.403 -0.156 20 0 CBADLP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638048009 357404708 /nfs/dbraw/zinc/40/47/08/357404708.db2.gz MEEBEGJVVHPAPT-NEPJUHHUSA-N 2 2 282.388 -0.593 20 0 CBADLP CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638048009 357404711 /nfs/dbraw/zinc/40/47/11/357404711.db2.gz MEEBEGJVVHPAPT-NEPJUHHUSA-N 2 2 282.388 -0.593 20 0 CBADLP CO[C@H]1C[NH2+][C@@](C)(C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000638048802 357404808 /nfs/dbraw/zinc/40/48/08/357404808.db2.gz HNKICDKUAGUORY-IUODEOHRSA-N 2 2 299.415 -0.020 20 0 CBADLP CC(C)(CNC(=O)[C@@]1(C)C[NH2+]CCO1)[NH+]1CCOCC1 ZINC000638048447 357405180 /nfs/dbraw/zinc/40/51/80/357405180.db2.gz DHIJRVIJOLBDNP-CQSZACIVSA-N 2 2 285.388 -0.408 20 0 CBADLP CCCN(C(=O)[C@H](C)N1CC[NH2+]CC1=O)C1CC[NH2+]CC1 ZINC000638047203 357405186 /nfs/dbraw/zinc/40/51/86/357405186.db2.gz LVDWZOCTOWCRPZ-LBPRGKRZSA-N 2 2 296.415 -0.203 20 0 CBADLP CN(C)C(=O)C[NH+]1CCN(C(=O)C2=CC[C@@H]([NH3+])C2)CC1 ZINC000638053996 357405909 /nfs/dbraw/zinc/40/59/09/357405909.db2.gz VSEDAFBDQLWNIZ-GFCCVEGCSA-N 2 2 280.372 -0.734 20 0 CBADLP C[C@@H](C(=O)NCCC[NH+]1CCCCC1)N1CC[NH2+]CC1=O ZINC000638052785 357406419 /nfs/dbraw/zinc/40/64/19/357406419.db2.gz AQPYPBYWROZAJJ-ZDUSSCGKSA-N 2 2 296.415 -0.201 20 0 CBADLP CC[NH+]1CCC(NC(=O)[C@H](C)N2CC[NH2+]CC2=O)CC1 ZINC000638052042 357406611 /nfs/dbraw/zinc/40/66/11/357406611.db2.gz VQLPSJBESDTWMU-NSHDSACASA-N 2 2 282.388 -0.593 20 0 CBADLP C[C@H](C(=O)NCC1([NH+](C)C)CCCC1)N1CC[NH2+]CC1=O ZINC000638050095 357406733 /nfs/dbraw/zinc/40/67/33/357406733.db2.gz SFKPHGWWSRLABM-GFCCVEGCSA-N 2 2 296.415 -0.203 20 0 CBADLP CN(C)C(=O)C[NH+]1CCN(C(=O)C2=CC[C@H]([NH3+])C2)CC1 ZINC000638053997 357406756 /nfs/dbraw/zinc/40/67/56/357406756.db2.gz VSEDAFBDQLWNIZ-LBPRGKRZSA-N 2 2 280.372 -0.734 20 0 CBADLP CC(C)C[C@@H](CNC(=O)[C@@H](C)N1CC[NH2+]CC1=O)[NH+](C)C ZINC000638060896 357407543 /nfs/dbraw/zinc/40/75/43/357407543.db2.gz UKJIDZRNVDPLTH-OLZOCXBDSA-N 2 2 298.431 -0.101 20 0 CBADLP CC(C)[C@@H](CNC(=O)[C@]1(C)C[NH2+]CCO1)[NH+]1CCOCC1 ZINC000638060987 357407855 /nfs/dbraw/zinc/40/78/55/357407855.db2.gz WNQQAYZWUCVQLH-HIFRSBDPSA-N 2 2 299.415 -0.162 20 0 CBADLP Cc1[nH+]ccn1CCCNC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638068857 357408596 /nfs/dbraw/zinc/40/85/96/357408596.db2.gz LZBWIVDNRLXNRI-NSHDSACASA-N 2 2 293.371 -0.482 20 0 CBADLP C[C@H](C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1)N1CC[NH2+]CC1=O ZINC000638072894 357411145 /nfs/dbraw/zinc/41/11/45/357411145.db2.gz RLJFLLBWSRKNEI-AGIUHOORSA-N 2 2 294.399 -0.450 20 0 CBADLP C[C@H](C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1)N1CC[NH2+]CC1=O ZINC000638072894 357411147 /nfs/dbraw/zinc/41/11/47/357411147.db2.gz RLJFLLBWSRKNEI-AGIUHOORSA-N 2 2 294.399 -0.450 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1OCC[C@@H]1[NH3+])Cn1cc[nH+]c1 ZINC000638077954 357412212 /nfs/dbraw/zinc/41/22/12/357412212.db2.gz ZJHJMGOCFLNZRP-GARJFASQSA-N 2 2 252.318 -0.248 20 0 CBADLP C[C@H](C(=O)NC[C@H]1CCC[N@@H+]1C)N1CC[NH2+]CC1=O ZINC000638076764 357412602 /nfs/dbraw/zinc/41/26/02/357412602.db2.gz NNHKQBRJCFQFGD-GHMZBOCLSA-N 2 2 268.361 -0.983 20 0 CBADLP C[C@H](C(=O)NC[C@H]1CCC[N@H+]1C)N1CC[NH2+]CC1=O ZINC000638076764 357412603 /nfs/dbraw/zinc/41/26/03/357412603.db2.gz NNHKQBRJCFQFGD-GHMZBOCLSA-N 2 2 268.361 -0.983 20 0 CBADLP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1c[nH+]c(N)nc1N ZINC000638082531 357413148 /nfs/dbraw/zinc/41/31/48/357413148.db2.gz DQATZTKCWUBFFO-KOLCDFICSA-N 2 2 262.361 -0.030 20 0 CBADLP C[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1c[nH+]c(N)nc1N ZINC000638082531 357413151 /nfs/dbraw/zinc/41/31/51/357413151.db2.gz DQATZTKCWUBFFO-KOLCDFICSA-N 2 2 262.361 -0.030 20 0 CBADLP C[C@@H](C(=O)NC[C@@H]1CCC[N@H+](C)C1)N1CC[NH2+]CC1=O ZINC000638085850 357413807 /nfs/dbraw/zinc/41/38/07/357413807.db2.gz NOBNGSUWMMCCIP-RYUDHWBXSA-N 2 2 282.388 -0.735 20 0 CBADLP C[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](C)C1)N1CC[NH2+]CC1=O ZINC000638085850 357413808 /nfs/dbraw/zinc/41/38/08/357413808.db2.gz NOBNGSUWMMCCIP-RYUDHWBXSA-N 2 2 282.388 -0.735 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)[C@]2(C[NH3+])CCCOC2)CCO1 ZINC000638091018 357414145 /nfs/dbraw/zinc/41/41/45/357414145.db2.gz NXMOWGBSZNBGIZ-JSGCOSHPSA-N 2 2 285.388 -0.421 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)[C@]2(C[NH3+])CCCOC2)CCO1 ZINC000638091018 357414150 /nfs/dbraw/zinc/41/41/50/357414150.db2.gz NXMOWGBSZNBGIZ-JSGCOSHPSA-N 2 2 285.388 -0.421 20 0 CBADLP COC[C@]1(C(=O)NCC[N@@H+]2CCO[C@H](C)C2)CCCC[NH2+]1 ZINC000638089784 357414545 /nfs/dbraw/zinc/41/45/45/357414545.db2.gz DDTXGPVOCRKHSN-HIFRSBDPSA-N 2 2 299.415 -0.018 20 0 CBADLP COC[C@]1(C(=O)NCC[N@H+]2CCO[C@H](C)C2)CCCC[NH2+]1 ZINC000638089784 357414547 /nfs/dbraw/zinc/41/45/47/357414547.db2.gz DDTXGPVOCRKHSN-HIFRSBDPSA-N 2 2 299.415 -0.018 20 0 CBADLP C[N@@H+]1CCN(Cc2c[nH+]c(N)nc2N)C(C)(C)C1 ZINC000638091218 357414800 /nfs/dbraw/zinc/41/48/00/357414800.db2.gz RMJLPOPPAAJQLL-UHFFFAOYSA-N 2 2 250.350 -0.172 20 0 CBADLP C[N@H+]1CCN(Cc2c[nH+]c(N)nc2N)C(C)(C)C1 ZINC000638091218 357414801 /nfs/dbraw/zinc/41/48/01/357414801.db2.gz RMJLPOPPAAJQLL-UHFFFAOYSA-N 2 2 250.350 -0.172 20 0 CBADLP C[C@@H](NC(=O)[C@@H]1OCC[C@@H]1[NH3+])[C@H](C)[NH+]1CCOCC1 ZINC000638098265 357415679 /nfs/dbraw/zinc/41/56/79/357415679.db2.gz ACTMIOWLBGMSHH-NOOOWODRSA-N 2 2 271.361 -0.672 20 0 CBADLP C[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1)N1CC[NH2+]CC1=O ZINC000638100236 357416816 /nfs/dbraw/zinc/41/68/16/357416816.db2.gz LLESUGDMUXBBPQ-DGCLKSJQSA-N 2 2 294.399 -0.498 20 0 CBADLP C[C@H](C(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1)N1CC[NH2+]CC1=O ZINC000638100236 357416821 /nfs/dbraw/zinc/41/68/21/357416821.db2.gz LLESUGDMUXBBPQ-DGCLKSJQSA-N 2 2 294.399 -0.498 20 0 CBADLP C[C@@H](C(=O)N[C@@H]1CC12CC[NH2+]CC2)N1CC[NH2+]CC1=O ZINC000638243875 357442574 /nfs/dbraw/zinc/44/25/74/357442574.db2.gz DVXNAHYISFYVGT-WDEREUQCSA-N 2 2 280.372 -0.935 20 0 CBADLP CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)C1 ZINC000638100183 357417328 /nfs/dbraw/zinc/41/73/28/357417328.db2.gz KOCISHCYQAMZRZ-OSFYFWSMSA-N 2 2 299.415 -0.021 20 0 CBADLP COC[C@@]1(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)CCCC[NH2+]1 ZINC000638098831 357417475 /nfs/dbraw/zinc/41/74/75/357417475.db2.gz PQLMCCISFXSTCG-DZGCQCFKSA-N 2 2 299.415 -0.018 20 0 CBADLP COC[C@@]1(C(=O)NCC[N@H+]2CCOC[C@@H]2C)CCCC[NH2+]1 ZINC000638098831 357417476 /nfs/dbraw/zinc/41/74/76/357417476.db2.gz PQLMCCISFXSTCG-DZGCQCFKSA-N 2 2 299.415 -0.018 20 0 CBADLP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638108224 357419600 /nfs/dbraw/zinc/41/96/00/357419600.db2.gz KSCZCDJNDSGTRL-QWHCGFSZSA-N 2 2 296.415 -0.251 20 0 CBADLP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638108224 357419603 /nfs/dbraw/zinc/41/96/03/357419603.db2.gz KSCZCDJNDSGTRL-QWHCGFSZSA-N 2 2 296.415 -0.251 20 0 CBADLP CN(C)c1[nH+]cc(CNC(=O)[C@@]2(C)C[NH2+]CCO2)n1C ZINC000638109803 357420539 /nfs/dbraw/zinc/42/05/39/357420539.db2.gz HKDIHLJNKDLWBW-CYBMUJFWSA-N 2 2 281.360 -0.519 20 0 CBADLP C[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1)N1CC[NH2+]CC1=O ZINC000638113454 357420802 /nfs/dbraw/zinc/42/08/02/357420802.db2.gz BUWYPVQTYFZMDY-IJLUTSLNSA-N 2 2 282.388 -0.594 20 0 CBADLP C[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1)N1CC[NH2+]CC1=O ZINC000638113454 357420805 /nfs/dbraw/zinc/42/08/05/357420805.db2.gz BUWYPVQTYFZMDY-IJLUTSLNSA-N 2 2 282.388 -0.594 20 0 CBADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638118012 357420948 /nfs/dbraw/zinc/42/09/48/357420948.db2.gz ZPRSOENVJDLGOF-OLZOCXBDSA-N 2 2 296.415 -0.203 20 0 CBADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)C2=CC[C@@H]([NH3+])C2)CC1 ZINC000638124531 357422038 /nfs/dbraw/zinc/42/20/38/357422038.db2.gz DWGPWBVFSYJCCG-LLVKDONJSA-N 2 2 280.372 -0.558 20 0 CBADLP O=C(CN1CC[NH2+]CC1)NCc1ccn2cc[nH+]c2c1 ZINC000638119935 357422306 /nfs/dbraw/zinc/42/23/06/357422306.db2.gz WTINXFZHYQZXDY-UHFFFAOYSA-N 2 2 273.340 -0.144 20 0 CBADLP CCN1CC[NH+](CCCNC(=O)[C@]2(C)C[NH2+]CCO2)CC1 ZINC000638137724 357424162 /nfs/dbraw/zinc/42/41/62/357424162.db2.gz MQJOMDUUVSGTJO-HNNXBMFYSA-N 2 2 298.431 -0.491 20 0 CBADLP C[C@H](C(=O)Nc1cc[nH+]c(N(C)C)c1)N1CC[NH2+]CC1=O ZINC000638134879 357424360 /nfs/dbraw/zinc/42/43/60/357424360.db2.gz QYRKQKHODMMIBD-SNVBAGLBSA-N 2 2 291.355 -0.094 20 0 CBADLP Nc1nc(N)c(CN2CC[NH+](C[C@H]3CCOC3)CC2)c[nH+]1 ZINC000638140113 357425572 /nfs/dbraw/zinc/42/55/72/357425572.db2.gz VBDPOIXMQUMUDJ-LLVKDONJSA-N 2 2 292.387 -0.544 20 0 CBADLP C[C@H](C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1)N1CC[NH2+]CC1=O ZINC000638170040 357430336 /nfs/dbraw/zinc/43/03/36/357430336.db2.gz ZMGLUMXZSURFDD-KXNHARMFSA-N 2 2 280.372 -0.998 20 0 CBADLP C[C@H](C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1)N1CC[NH2+]CC1=O ZINC000638170042 357430608 /nfs/dbraw/zinc/43/06/08/357430608.db2.gz ZMGLUMXZSURFDD-NOOOWODRSA-N 2 2 280.372 -0.998 20 0 CBADLP C[C@H](C(=O)N[C@H]1CCC[NH2+]CC1)N1CC[NH2+]CC1=O ZINC000638195696 357433710 /nfs/dbraw/zinc/43/37/10/357433710.db2.gz OTUOJMRQXBJJQY-MNOVXSKESA-N 2 2 268.361 -0.935 20 0 CBADLP CO[C@@]1(C[NH2+]C[C@@H]2C[N@H+](C)CCN2C)CCOC1 ZINC000638596922 357500055 /nfs/dbraw/zinc/50/00/55/357500055.db2.gz TWXOLEKVXLFBRI-CHWSQXEVSA-N 2 2 257.378 -0.373 20 0 CBADLP CO[C@@]1(C[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)CCOC1 ZINC000638596922 357500060 /nfs/dbraw/zinc/50/00/60/357500060.db2.gz TWXOLEKVXLFBRI-CHWSQXEVSA-N 2 2 257.378 -0.373 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000638608368 357501414 /nfs/dbraw/zinc/50/14/14/357501414.db2.gz AKCVMFOTDRRXRD-AVGNSLFASA-N 2 2 267.373 -0.036 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000638608368 357501416 /nfs/dbraw/zinc/50/14/16/357501416.db2.gz AKCVMFOTDRRXRD-AVGNSLFASA-N 2 2 267.373 -0.036 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638608382 357501604 /nfs/dbraw/zinc/50/16/04/357501604.db2.gz APIYPNLLRPGIQH-WCQYABFASA-N 2 2 271.361 -0.811 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638608382 357501607 /nfs/dbraw/zinc/50/16/07/357501607.db2.gz APIYPNLLRPGIQH-WCQYABFASA-N 2 2 271.361 -0.811 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)COC1CCC([NH3+])CC1 ZINC000638611304 357502223 /nfs/dbraw/zinc/50/22/23/357502223.db2.gz NVUZVIAXMXRQKN-CPCZMJQVSA-N 2 2 285.388 -0.280 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)COC1CCC([NH3+])CC1 ZINC000638611304 357502230 /nfs/dbraw/zinc/50/22/30/357502230.db2.gz NVUZVIAXMXRQKN-CPCZMJQVSA-N 2 2 285.388 -0.280 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000638610889 357502686 /nfs/dbraw/zinc/50/26/86/357502686.db2.gz LRVFTGIQZFRNQV-VXGBXAGGSA-N 2 2 255.362 -0.177 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000638610889 357502688 /nfs/dbraw/zinc/50/26/88/357502688.db2.gz LRVFTGIQZFRNQV-VXGBXAGGSA-N 2 2 255.362 -0.177 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000638609240 357502833 /nfs/dbraw/zinc/50/28/33/357502833.db2.gz FRRCFFKIQBCTOQ-ONGXEEELSA-N 2 2 295.305 -0.025 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000638609240 357502835 /nfs/dbraw/zinc/50/28/35/357502835.db2.gz FRRCFFKIQBCTOQ-ONGXEEELSA-N 2 2 295.305 -0.025 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@@H]1Cc2ccccc2NC1=O ZINC000638626075 357512205 /nfs/dbraw/zinc/51/22/05/357512205.db2.gz JIXMJANHSNATPN-DGCLKSJQSA-N 2 2 290.367 -0.055 20 0 CBADLP C[C@H](C(=O)N[C@@H]1CC[NH2+]CC1(C)C)N1CC[NH2+]CC1=O ZINC000638261061 357444876 /nfs/dbraw/zinc/44/48/76/357444876.db2.gz BOSUAOMZCWOTTP-GHMZBOCLSA-N 2 2 282.388 -0.689 20 0 CBADLP C[C@H](C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)N1CC[NH2+]CC1=O ZINC000638267594 357446321 /nfs/dbraw/zinc/44/63/21/357446321.db2.gz HIHUPFAIOYJWPE-GMTAPVOTSA-N 2 2 268.361 -0.950 20 0 CBADLP C[C@H](C(=O)N[C@@H](CC[NH3+])C(F)(F)F)N1CC[NH2+]CC1=O ZINC000638266993 357446476 /nfs/dbraw/zinc/44/64/76/357446476.db2.gz KXQGOIQYKTWHKC-SFYZADRCSA-N 2 2 296.293 -0.797 20 0 CBADLP CC(C)[NH+]1CCC(NC(=O)[C@H](C)N2CC[NH2+]CC2=O)CC1 ZINC000638270094 357447036 /nfs/dbraw/zinc/44/70/36/357447036.db2.gz AJVZCZXEFRRNON-LBPRGKRZSA-N 2 2 296.415 -0.204 20 0 CBADLP C[C@H](C(=O)N1CCC[C@@H]1C[NH+](C)C)N1CC[NH2+]CC1=O ZINC000638275288 357447963 /nfs/dbraw/zinc/44/79/63/357447963.db2.gz LTMKMWACCZOFBO-VXGBXAGGSA-N 2 2 282.388 -0.641 20 0 CBADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)C2=CC[C@@H]([NH3+])C2)CC1 ZINC000638276102 357448150 /nfs/dbraw/zinc/44/81/50/357448150.db2.gz XMELYQYQYXFCKG-CYBMUJFWSA-N 2 2 294.399 -0.296 20 0 CBADLP CCNC(=O)C[N@H+]1CCCN(C(=O)C2=CC[C@@H]([NH3+])C2)CC1 ZINC000638276102 357448156 /nfs/dbraw/zinc/44/81/56/357448156.db2.gz XMELYQYQYXFCKG-CYBMUJFWSA-N 2 2 294.399 -0.296 20 0 CBADLP CO[C@H]1C[NH2+][C@@](C)(C(=O)N(C)CC[NH+]2CCOCC2)C1 ZINC000638275733 357448579 /nfs/dbraw/zinc/44/85/79/357448579.db2.gz NRLYDEHYSOIENT-TZMCWYRMSA-N 2 2 285.388 -0.456 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638275769 357448681 /nfs/dbraw/zinc/44/86/81/357448681.db2.gz PFPRIIGBOBDRQC-ZDUSSCGKSA-N 2 2 271.361 -0.845 20 0 CBADLP C[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C)N1CC[NH2+]CC1=O ZINC000638286816 357451321 /nfs/dbraw/zinc/45/13/21/357451321.db2.gz RJPPLEZGRVNJNQ-FRRDWIJNSA-N 2 2 296.415 -0.395 20 0 CBADLP C[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C)N1CC[NH2+]CC1=O ZINC000638286816 357451328 /nfs/dbraw/zinc/45/13/28/357451328.db2.gz RJPPLEZGRVNJNQ-FRRDWIJNSA-N 2 2 296.415 -0.395 20 0 CBADLP C[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)N1CC[NH2+]CC1=O ZINC000638284139 357451409 /nfs/dbraw/zinc/45/14/09/357451409.db2.gz DPQZRDVQGOHXNS-XQQFMLRXSA-N 2 2 294.399 -0.498 20 0 CBADLP C[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)N1CC[NH2+]CC1=O ZINC000638284139 357451412 /nfs/dbraw/zinc/45/14/12/357451412.db2.gz DPQZRDVQGOHXNS-XQQFMLRXSA-N 2 2 294.399 -0.498 20 0 CBADLP CCN(CCC[NH+](C)C)C(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638291494 357453348 /nfs/dbraw/zinc/45/33/48/357453348.db2.gz QEBSLUSCJCEDOT-GFCCVEGCSA-N 2 2 284.404 -0.393 20 0 CBADLP CN(CCCn1cc[nH+]c1)C(=O)CN1CC[NH2+]CC1 ZINC000638300384 357453374 /nfs/dbraw/zinc/45/33/74/357453374.db2.gz HWSKANAXOMRUBC-UHFFFAOYSA-N 2 2 265.361 -0.363 20 0 CBADLP C[C@H](C(=O)N(C)[C@@H](C[NH3+])C1CC1)N1CC[NH2+]CC1=O ZINC000638331251 357458868 /nfs/dbraw/zinc/45/88/68/357458868.db2.gz FNSPGWZLCGFSNQ-KOLCDFICSA-N 2 2 268.361 -0.998 20 0 CBADLP C[C@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1)N1CC[NH2+]CC1=O ZINC000638337500 357459778 /nfs/dbraw/zinc/45/97/78/357459778.db2.gz UCTNANVACFQGAD-JTNHKYCSSA-N 2 2 282.388 -0.750 20 0 CBADLP C[C@@H](C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1)N1CC[NH2+]CC1=O ZINC000638366590 357462602 /nfs/dbraw/zinc/46/26/02/357462602.db2.gz PBALAJDAROFJJI-NWDGAFQWSA-N 2 2 294.399 -0.402 20 0 CBADLP CC(C)[N@@H+]1CCCN(C(=O)[C@@H](C)N2CC[NH2+]CC2=O)CC1 ZINC000638376233 357463488 /nfs/dbraw/zinc/46/34/88/357463488.db2.gz MAXKXFXBQXIIRM-CYBMUJFWSA-N 2 2 296.415 -0.251 20 0 CBADLP CC(C)[N@H+]1CCCN(C(=O)[C@@H](C)N2CC[NH2+]CC2=O)CC1 ZINC000638376233 357463493 /nfs/dbraw/zinc/46/34/93/357463493.db2.gz MAXKXFXBQXIIRM-CYBMUJFWSA-N 2 2 296.415 -0.251 20 0 CBADLP C[C@H](C(=O)N[C@H]1CC[NH2+]C12CCCC2)N1CC[NH2+]CC1=O ZINC000638375906 357463915 /nfs/dbraw/zinc/46/39/15/357463915.db2.gz JNNOJMYHGSCASZ-NEPJUHHUSA-N 2 2 294.399 -0.402 20 0 CBADLP C[C@@H](C(=O)NCCC1(C[NH3+])CC1)N1CC[NH2+]CC1=O ZINC000638385999 357464436 /nfs/dbraw/zinc/46/44/36/357464436.db2.gz NLNIKGIDVDWDPS-JTQLQIEISA-N 2 2 268.361 -0.948 20 0 CBADLP CC(C)C[N@H+](C)CCCNC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638382538 357464747 /nfs/dbraw/zinc/46/47/47/357464747.db2.gz VUXYTGRANXGLNY-ZDUSSCGKSA-N 2 2 298.431 -0.099 20 0 CBADLP CC(C)C[N@@H+](C)CCCNC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638382538 357464751 /nfs/dbraw/zinc/46/47/51/357464751.db2.gz VUXYTGRANXGLNY-ZDUSSCGKSA-N 2 2 298.431 -0.099 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)c2cnc(C[NH3+])nc2)[C@@H](C)CO1 ZINC000638407423 357468893 /nfs/dbraw/zinc/46/88/93/357468893.db2.gz VPLWZXLHXWABOS-WDEREUQCSA-N 2 2 293.371 -0.226 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)c2cnc(C[NH3+])nc2)[C@@H](C)CO1 ZINC000638407423 357468896 /nfs/dbraw/zinc/46/88/96/357468896.db2.gz VPLWZXLHXWABOS-WDEREUQCSA-N 2 2 293.371 -0.226 20 0 CBADLP C[C@@H](C(=O)N(C)CC(C)(C)[NH3+])N1CC[NH2+]CC1=O ZINC000638403171 357469331 /nfs/dbraw/zinc/46/93/31/357469331.db2.gz YMCLUSJDHPRAPR-VIFPVBQESA-N 2 2 256.350 -0.998 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@]2(C)C[NH2+]CCO2)[C@H](C)CO1 ZINC000638407743 357469450 /nfs/dbraw/zinc/46/94/50/357469450.db2.gz WMIGDQIBMMUOKZ-YRGRVCCFSA-N 2 2 285.388 -0.410 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@]2(C)C[NH2+]CCO2)[C@H](C)CO1 ZINC000638407743 357469452 /nfs/dbraw/zinc/46/94/52/357469452.db2.gz WMIGDQIBMMUOKZ-YRGRVCCFSA-N 2 2 285.388 -0.410 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cnc(C[NH3+])nc1 ZINC000638408002 357469640 /nfs/dbraw/zinc/46/96/40/357469640.db2.gz DSHFGODBQRFSSJ-UHFFFAOYSA-N 3 2 294.403 -0.451 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cnc(C[NH3+])nc1 ZINC000638408002 357469646 /nfs/dbraw/zinc/46/96/46/357469646.db2.gz DSHFGODBQRFSSJ-UHFFFAOYSA-N 3 2 294.403 -0.451 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@]2(C[NH3+])CCCOC2)[C@H](C)CO1 ZINC000638410297 357470431 /nfs/dbraw/zinc/47/04/31/357470431.db2.gz YMRKYSWNNWRWRG-UMVBOHGHSA-N 2 2 299.415 -0.033 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@]2(C[NH3+])CCCOC2)[C@H](C)CO1 ZINC000638410297 357470433 /nfs/dbraw/zinc/47/04/33/357470433.db2.gz YMRKYSWNNWRWRG-UMVBOHGHSA-N 2 2 299.415 -0.033 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@]2(C[NH3+])CCCOC2)[C@@H](C)CO1 ZINC000638410294 357470797 /nfs/dbraw/zinc/47/07/97/357470797.db2.gz YMRKYSWNNWRWRG-GZBFAFLISA-N 2 2 299.415 -0.033 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@]2(C[NH3+])CCCOC2)[C@@H](C)CO1 ZINC000638410294 357470802 /nfs/dbraw/zinc/47/08/02/357470802.db2.gz YMRKYSWNNWRWRG-GZBFAFLISA-N 2 2 299.415 -0.033 20 0 CBADLP [NH3+]C[C@@]1(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CCCOC1 ZINC000638413589 357471359 /nfs/dbraw/zinc/47/13/59/357471359.db2.gz AQJZOAPRPDNCME-ZFWWWQNUSA-N 2 2 297.399 -0.325 20 0 CBADLP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000638414176 357471817 /nfs/dbraw/zinc/47/18/17/357471817.db2.gz MIAGZPGSQMRNFV-TUAOUCFPSA-N 2 2 269.345 -0.964 20 0 CBADLP C[C@]1(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C[NH2+]CCO1 ZINC000638413880 357472040 /nfs/dbraw/zinc/47/20/40/357472040.db2.gz HLSWDJONQFMXIW-TZMCWYRMSA-N 2 2 283.372 -0.702 20 0 CBADLP [NH3+][C@H]1CC=C(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000638413862 357472187 /nfs/dbraw/zinc/47/21/87/357472187.db2.gz HCQPRWCOTWKPPR-QWHCGFSZSA-N 2 2 265.357 -0.033 20 0 CBADLP [NH3+][C@@H]1CCO[C@@H]1C(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000638424805 357474184 /nfs/dbraw/zinc/47/41/84/357474184.db2.gz KCDQKFBOOALYCE-KGLIPLIRSA-N 2 2 297.399 -0.327 20 0 CBADLP C[C@H](NC(=O)[C@@]1(C)C[NH2+]CCO1)c1[nH+]ccn1C ZINC000638429127 357475797 /nfs/dbraw/zinc/47/57/97/357475797.db2.gz HDKIABNAZQUODB-JOYOIKCWSA-N 2 2 252.318 -0.024 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+]CCC[C@H]2CCO2)CC1 ZINC000638439194 357477299 /nfs/dbraw/zinc/47/72/99/357477299.db2.gz CDCZEMNWRMZDMY-LBPRGKRZSA-N 2 2 255.362 -0.081 20 0 CBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638445029 357478663 /nfs/dbraw/zinc/47/86/63/357478663.db2.gz DPOAVTLAZWPNKD-OLZOCXBDSA-N 2 2 283.372 -0.815 20 0 CBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C1([NH3+])CCCCC1 ZINC000638444906 357479180 /nfs/dbraw/zinc/47/91/80/357479180.db2.gz BXOKEKBCPMLZJU-ZDUSSCGKSA-N 2 2 299.415 -0.201 20 0 CBADLP CC[N@H+](CCNCc1c[nH+]c(N)nc1N)C1CC1 ZINC000638478754 357483178 /nfs/dbraw/zinc/48/31/78/357483178.db2.gz MLJHDBMYLPSBNY-UHFFFAOYSA-N 2 2 250.350 -0.124 20 0 CBADLP CC[N@@H+](CCNCc1c[nH+]c(N)nc1N)C1CC1 ZINC000638478754 357483182 /nfs/dbraw/zinc/48/31/82/357483182.db2.gz MLJHDBMYLPSBNY-UHFFFAOYSA-N 2 2 250.350 -0.124 20 0 CBADLP CO[C@H](C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)[C@@H]1CCOC1 ZINC000639350484 357568801 /nfs/dbraw/zinc/56/88/01/357568801.db2.gz ZLSHQUVUSMDFHV-HZSPNIEDSA-N 2 2 299.415 -0.033 20 0 CBADLP CO[C@H](C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)[C@@H]1CCOC1 ZINC000639350484 357568802 /nfs/dbraw/zinc/56/88/02/357568802.db2.gz ZLSHQUVUSMDFHV-HZSPNIEDSA-N 2 2 299.415 -0.033 20 0 CBADLP Cn1cc(C[N@H+](C)[C@@H]2C[NH+]3CCC2CC3)c(=O)n(C)c1=O ZINC000639396943 357571742 /nfs/dbraw/zinc/57/17/42/357571742.db2.gz MNLUAJRGQCVOOZ-CYBMUJFWSA-N 2 2 292.383 -0.390 20 0 CBADLP Cn1cc(C[N@@H+](C)[C@@H]2C[NH+]3CCC2CC3)c(=O)n(C)c1=O ZINC000639396943 357571747 /nfs/dbraw/zinc/57/17/47/357571747.db2.gz MNLUAJRGQCVOOZ-CYBMUJFWSA-N 2 2 292.383 -0.390 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCO[C@@H](CCF)C1 ZINC000638683158 357520909 /nfs/dbraw/zinc/52/09/09/357520909.db2.gz CSSBDRWIPUORSV-WDEREUQCSA-N 2 2 261.341 -0.148 20 0 CBADLP CCN1C(=O)[C@@H]2C[N@H+](CCc3c[nH+]cn3C)CCN2C1=O ZINC000639514753 357575293 /nfs/dbraw/zinc/57/52/93/357575293.db2.gz NTKNHNZBTXODGC-LBPRGKRZSA-N 2 2 291.355 -0.069 20 0 CBADLP CCN1C(=O)[C@@H]2C[N@@H+](CCc3c[nH+]cn3C)CCN2C1=O ZINC000639514753 357575294 /nfs/dbraw/zinc/57/52/94/357575294.db2.gz NTKNHNZBTXODGC-LBPRGKRZSA-N 2 2 291.355 -0.069 20 0 CBADLP CC(=O)NC[C@@H]1CCCCN1C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000638793632 357529425 /nfs/dbraw/zinc/52/94/25/357529425.db2.gz COFMTHNVARETCP-STQMWFEESA-N 2 2 284.404 -0.217 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000638814697 357533590 /nfs/dbraw/zinc/53/35/90/357533590.db2.gz AKYMSNGLEFVKLE-VXGBXAGGSA-N 3 2 256.394 -0.005 20 0 CBADLP [NH3+][C@@H]1CCCCCN(C(=O)CN2CC[NH2+]CC2=O)C1 ZINC000638824728 357534413 /nfs/dbraw/zinc/53/44/13/357534413.db2.gz VGQILEPHKGERPY-LLVKDONJSA-N 2 2 268.361 -0.852 20 0 CBADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000639529276 357576134 /nfs/dbraw/zinc/57/61/34/357576134.db2.gz LHANQYPUIAZFMR-LLVKDONJSA-N 2 2 272.374 -0.285 20 0 CBADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000639529276 357576136 /nfs/dbraw/zinc/57/61/36/357576136.db2.gz LHANQYPUIAZFMR-LLVKDONJSA-N 2 2 272.374 -0.285 20 0 CBADLP CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)[C@H]1C[NH+]2CCC1CC2 ZINC000638853785 357539110 /nfs/dbraw/zinc/53/91/10/357539110.db2.gz JSYINICGKDFAGK-OLZOCXBDSA-N 3 2 268.405 -0.182 20 0 CBADLP CN(Cc1[nH]cc[nH+]1)C(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000639017800 357552708 /nfs/dbraw/zinc/55/27/08/357552708.db2.gz ZLAVTNGDBYKMES-CABZTGNLSA-N 2 2 250.302 -0.396 20 0 CBADLP C[C@@H]1[C@H](C)N(Cc2c[nH+]c(N)nc2N)CC[N@H+]1C ZINC000639058582 357555876 /nfs/dbraw/zinc/55/58/76/357555876.db2.gz QMCSPIPAWPOSSI-BDAKNGLRSA-N 2 2 250.350 -0.174 20 0 CBADLP C[C@@H]1[C@H](C)N(Cc2c[nH+]c(N)nc2N)CC[N@@H+]1C ZINC000639058582 357555879 /nfs/dbraw/zinc/55/58/79/357555879.db2.gz QMCSPIPAWPOSSI-BDAKNGLRSA-N 2 2 250.350 -0.174 20 0 CBADLP C[NH+](C)C1(CNCc2c[nH+]c(N)nc2N)CCC1 ZINC000639085511 357557072 /nfs/dbraw/zinc/55/70/72/357557072.db2.gz GWIPJKHZHATKAP-UHFFFAOYSA-N 2 2 250.350 -0.124 20 0 CBADLP CC[N@@H+]1CCN(Cc2c[nH+]c(N)nc2N)[C@H](C)C1 ZINC000639159237 357559665 /nfs/dbraw/zinc/55/96/65/357559665.db2.gz BYHOVBKDKJTOHU-SECBINFHSA-N 2 2 250.350 -0.172 20 0 CBADLP CC[N@H+]1CCN(Cc2c[nH+]c(N)nc2N)[C@H](C)C1 ZINC000639159237 357559668 /nfs/dbraw/zinc/55/96/68/357559668.db2.gz BYHOVBKDKJTOHU-SECBINFHSA-N 2 2 250.350 -0.172 20 0 CBADLP CN(CC[NH+]1CCCC1)Cc1c[nH+]c(N)nc1N ZINC000639171772 357560291 /nfs/dbraw/zinc/56/02/91/357560291.db2.gz ZOYBKSGTKKMZNY-UHFFFAOYSA-N 2 2 250.350 -0.171 20 0 CBADLP C[C@@H]1CN(Cc2c[nH+]c(N)nc2N)C[C@H]1[NH+](C)C ZINC000639173581 357560456 /nfs/dbraw/zinc/56/04/56/357560456.db2.gz DKIFRWIKHSZQEE-PSASIEDQSA-N 2 2 250.350 -0.316 20 0 CBADLP CNS(=O)(=O)[C@H]1CC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000639543806 357577650 /nfs/dbraw/zinc/57/76/50/357577650.db2.gz ACMGMNGJJIYHNG-NSHDSACASA-N 2 2 272.374 -0.414 20 0 CBADLP CNS(=O)(=O)[C@H]1CC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000639543806 357577653 /nfs/dbraw/zinc/57/76/53/357577653.db2.gz ACMGMNGJJIYHNG-NSHDSACASA-N 2 2 272.374 -0.414 20 0 CBADLP Cn1c[nH+]cc1CC[N@@H+]1CCSC[C@@H]1C(N)=O ZINC000639554204 357577668 /nfs/dbraw/zinc/57/76/68/357577668.db2.gz BPBQGGJIXHLOLV-SNVBAGLBSA-N 2 2 254.359 -0.135 20 0 CBADLP Cn1c[nH+]cc1CC[N@H+]1CCSC[C@@H]1C(N)=O ZINC000639554204 357577671 /nfs/dbraw/zinc/57/76/71/357577671.db2.gz BPBQGGJIXHLOLV-SNVBAGLBSA-N 2 2 254.359 -0.135 20 0 CBADLP C[N@@H+]1C[C@@H]2CCCN(Cc3c[nH+]c(N)nc3N)[C@@H]2C1 ZINC000639278773 357565399 /nfs/dbraw/zinc/56/53/99/357565399.db2.gz SMROORPLHOHNIX-GXSJLCMTSA-N 2 2 262.361 -0.172 20 0 CBADLP C[N@H+]1C[C@@H]2CCCN(Cc3c[nH+]c(N)nc3N)[C@@H]2C1 ZINC000639278773 357565404 /nfs/dbraw/zinc/56/54/04/357565404.db2.gz SMROORPLHOHNIX-GXSJLCMTSA-N 2 2 262.361 -0.172 20 0 CBADLP CCNS(=O)(=O)[C@H]1CC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000639559517 357579137 /nfs/dbraw/zinc/57/91/37/357579137.db2.gz WZRMPHRJSVFZGY-LBPRGKRZSA-N 2 2 286.401 -0.024 20 0 CBADLP CCNS(=O)(=O)[C@H]1CC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000639559517 357579141 /nfs/dbraw/zinc/57/91/41/357579141.db2.gz WZRMPHRJSVFZGY-LBPRGKRZSA-N 2 2 286.401 -0.024 20 0 CBADLP Cn1c[nH+]cc1CC[N@@H+]1CCOC[C@@H]1CC(N)=O ZINC000639669874 357583343 /nfs/dbraw/zinc/58/33/43/357583343.db2.gz BKFTXKXZPNHSBN-NSHDSACASA-N 2 2 252.318 -0.461 20 0 CBADLP Cn1c[nH+]cc1CC[N@H+]1CCOC[C@@H]1CC(N)=O ZINC000639669874 357583346 /nfs/dbraw/zinc/58/33/46/357583346.db2.gz BKFTXKXZPNHSBN-NSHDSACASA-N 2 2 252.318 -0.461 20 0 CBADLP CO[C@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)[C@@](C)(CO)C1 ZINC000640008501 357629036 /nfs/dbraw/zinc/62/90/36/357629036.db2.gz IURNEUOILLXXOX-TZMCWYRMSA-N 2 2 285.388 -0.768 20 0 CBADLP CO[C@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)[C@@](C)(CO)C1 ZINC000640008501 357629040 /nfs/dbraw/zinc/62/90/40/357629040.db2.gz IURNEUOILLXXOX-TZMCWYRMSA-N 2 2 285.388 -0.768 20 0 CBADLP C[NH+](C)C[C@@]1(O)CCC[N@H+](CC(=O)N2CCC2)C1 ZINC000639760519 357594473 /nfs/dbraw/zinc/59/44/73/357594473.db2.gz BHRAWGPKVUEOCN-ZDUSSCGKSA-N 2 2 255.362 -0.393 20 0 CBADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CC(=O)N2CCC2)C1 ZINC000639760519 357594479 /nfs/dbraw/zinc/59/44/79/357594479.db2.gz BHRAWGPKVUEOCN-ZDUSSCGKSA-N 2 2 255.362 -0.393 20 0 CBADLP C[NH+](C)C[C@@]1(O)CCC[N@H+](C[C@@H]2CCC(=O)N2)C1 ZINC000639763284 357595432 /nfs/dbraw/zinc/59/54/32/357595432.db2.gz PQIDMXMIEZVTLC-AAEUAGOBSA-N 2 2 255.362 -0.347 20 0 CBADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](C[C@@H]2CCC(=O)N2)C1 ZINC000639763284 357595436 /nfs/dbraw/zinc/59/54/36/357595436.db2.gz PQIDMXMIEZVTLC-AAEUAGOBSA-N 2 2 255.362 -0.347 20 0 CBADLP C[NH+](C)C[C@@]1(O)CCC[N@H+](CCN2CCNC2=O)C1 ZINC000639762146 357595952 /nfs/dbraw/zinc/59/59/52/357595952.db2.gz GTUSTRDKTUDZQS-ZDUSSCGKSA-N 2 2 270.377 -0.600 20 0 CBADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CCN2CCNC2=O)C1 ZINC000639762146 357595956 /nfs/dbraw/zinc/59/59/56/357595956.db2.gz GTUSTRDKTUDZQS-ZDUSSCGKSA-N 2 2 270.377 -0.600 20 0 CBADLP C[NH+](C)C[C@]1(O)CCC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC000639763100 357596537 /nfs/dbraw/zinc/59/65/37/357596537.db2.gz VDJDGMLBUKQQAS-DGCLKSJQSA-N 2 2 255.362 -0.347 20 0 CBADLP C[NH+](C)C[C@]1(O)CCC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC000639763100 357596539 /nfs/dbraw/zinc/59/65/39/357596539.db2.gz VDJDGMLBUKQQAS-DGCLKSJQSA-N 2 2 255.362 -0.347 20 0 CBADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](O)C[C@]1(C)CO ZINC000639848850 357606212 /nfs/dbraw/zinc/60/62/12/357606212.db2.gz JLHSGVDGQMQZOC-RWMBFGLXSA-N 2 2 260.378 -0.495 20 0 CBADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](O)C[C@]1(C)CO ZINC000639848850 357606215 /nfs/dbraw/zinc/60/62/15/357606215.db2.gz JLHSGVDGQMQZOC-RWMBFGLXSA-N 2 2 260.378 -0.495 20 0 CBADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](O)C[C@]1(C)CO ZINC000639848850 357606218 /nfs/dbraw/zinc/60/62/18/357606218.db2.gz JLHSGVDGQMQZOC-RWMBFGLXSA-N 2 2 260.378 -0.495 20 0 CBADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](O)C[C@]1(C)CO ZINC000639848850 357606220 /nfs/dbraw/zinc/60/62/20/357606220.db2.gz JLHSGVDGQMQZOC-RWMBFGLXSA-N 2 2 260.378 -0.495 20 0 CBADLP C[C@]12C[N@H+](CCn3cc[nH+]c3)C[C@@]1(C)C(=O)NC2=O ZINC000639944011 357619730 /nfs/dbraw/zinc/61/97/30/357619730.db2.gz AUAHUGLDYNWVND-BETUJISGSA-N 2 2 262.313 -0.132 20 0 CBADLP C[C@]12C[N@@H+](CCn3cc[nH+]c3)C[C@@]1(C)C(=O)NC2=O ZINC000639944011 357619734 /nfs/dbraw/zinc/61/97/34/357619734.db2.gz AUAHUGLDYNWVND-BETUJISGSA-N 2 2 262.313 -0.132 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000640290326 357641775 /nfs/dbraw/zinc/64/17/75/357641775.db2.gz MUGOXHPHMGXCEY-GFCCVEGCSA-N 2 2 280.372 -0.074 20 0 CBADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H](CO)C[NH+]1CCCC1 ZINC000640321561 357643808 /nfs/dbraw/zinc/64/38/08/357643808.db2.gz MMMUYVIGPUAHOZ-LLVKDONJSA-N 2 2 266.345 -0.085 20 0 CBADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)[C@@H](C[NH3+])C1 ZINC000641194527 357677976 /nfs/dbraw/zinc/67/79/76/357677976.db2.gz NSXYFCNMJCIKRT-UTUOFQBUSA-N 3 2 269.393 -0.459 20 0 CBADLP C[N@H+]1CCN(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)[C@@H](C[NH3+])C1 ZINC000641194527 357677979 /nfs/dbraw/zinc/67/79/79/357677979.db2.gz NSXYFCNMJCIKRT-UTUOFQBUSA-N 3 2 269.393 -0.459 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2C[C@@H]3C[C@]3(O)C2)CC1 ZINC000640480575 357656693 /nfs/dbraw/zinc/65/66/93/357656693.db2.gz VOYVXFGTZACFLT-OBJOEFQTSA-N 2 2 267.373 -0.394 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2C[C@@H]3C[C@]3(O)C2)CC1 ZINC000640480575 357656696 /nfs/dbraw/zinc/65/66/96/357656696.db2.gz VOYVXFGTZACFLT-OBJOEFQTSA-N 2 2 267.373 -0.394 20 0 CBADLP C[NH+]1CCN(Cc2cn(Cc3[nH]cc[nH+]3)nn2)CC1 ZINC000640754411 357663048 /nfs/dbraw/zinc/66/30/48/357663048.db2.gz IHXPFXPYXZUNAR-UHFFFAOYSA-N 2 2 261.333 -0.203 20 0 CBADLP C[NH+]1CCN(Cc2cn(Cc3c[nH]c[nH+]3)nn2)CC1 ZINC000641036605 357672133 /nfs/dbraw/zinc/67/21/33/357672133.db2.gz UCBQBGQZPNQZAR-UHFFFAOYSA-N 2 2 261.333 -0.203 20 0 CBADLP CC(C)NC(=O)NCC[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640050948 357631645 /nfs/dbraw/zinc/63/16/45/357631645.db2.gz AHWVWKBDQQTILH-UHFFFAOYSA-N 2 2 299.419 -0.600 20 0 CBADLP CC(C)NC(=O)NCC[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640050948 357631646 /nfs/dbraw/zinc/63/16/46/357631646.db2.gz AHWVWKBDQQTILH-UHFFFAOYSA-N 2 2 299.419 -0.600 20 0 CBADLP CCC[C@H](O)C[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640051281 357632726 /nfs/dbraw/zinc/63/27/26/357632726.db2.gz MNYUYDXPFGQMOY-LBPRGKRZSA-N 2 2 257.378 -0.147 20 0 CBADLP CCC[C@H](O)C[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640051281 357632730 /nfs/dbraw/zinc/63/27/30/357632730.db2.gz MNYUYDXPFGQMOY-LBPRGKRZSA-N 2 2 257.378 -0.147 20 0 CBADLP CCN1CC[C@@H]([N@H+](C)CC(=O)N2CC[NH+](C)CC2)C1=O ZINC000640064369 357633501 /nfs/dbraw/zinc/63/35/01/357633501.db2.gz UMWHPXOAMPIGNU-GFCCVEGCSA-N 2 2 282.388 -0.687 20 0 CBADLP CCN1CC[C@@H]([N@@H+](C)CC(=O)N2CC[NH+](C)CC2)C1=O ZINC000640064369 357633507 /nfs/dbraw/zinc/63/35/07/357633507.db2.gz UMWHPXOAMPIGNU-GFCCVEGCSA-N 2 2 282.388 -0.687 20 0 CBADLP C[N@@H+]1CC[C@@H](CNS(=O)(=O)CCn2cc[nH+]c2)C1 ZINC000641528769 357719667 /nfs/dbraw/zinc/71/96/67/357719667.db2.gz PGNIQNWVAGAUSB-NSHDSACASA-N 2 2 272.374 -0.246 20 0 CBADLP C[N@H+]1CC[C@@H](CNS(=O)(=O)CCn2cc[nH+]c2)C1 ZINC000641528769 357719672 /nfs/dbraw/zinc/71/96/72/357719672.db2.gz PGNIQNWVAGAUSB-NSHDSACASA-N 2 2 272.374 -0.246 20 0 CBADLP O=S(=O)(CCn1cc[nH+]c1)NCCn1cc[nH+]c1 ZINC000641256552 357684977 /nfs/dbraw/zinc/68/49/77/357684977.db2.gz ANLPFGDWCAWCJQ-UHFFFAOYSA-N 2 2 269.330 -0.301 20 0 CBADLP C[N@@H+]1CCC[C@H](NS(=O)(=O)CCn2cc[nH+]c2)C1 ZINC000641288905 357688071 /nfs/dbraw/zinc/68/80/71/357688071.db2.gz HKULYBHSSBHSTQ-NSHDSACASA-N 2 2 272.374 -0.103 20 0 CBADLP C[N@H+]1CCC[C@H](NS(=O)(=O)CCn2cc[nH+]c2)C1 ZINC000641288905 357688073 /nfs/dbraw/zinc/68/80/73/357688073.db2.gz HKULYBHSSBHSTQ-NSHDSACASA-N 2 2 272.374 -0.103 20 0 CBADLP O=S(=O)(CCn1cc[nH+]c1)NCC[NH+]1CCC1 ZINC000641392282 357700117 /nfs/dbraw/zinc/70/01/17/357700117.db2.gz QQFDOFKJSZOSPL-UHFFFAOYSA-N 2 2 258.347 -0.492 20 0 CBADLP C[C@H](CC(N)=O)[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641786584 357741757 /nfs/dbraw/zinc/74/17/57/357741757.db2.gz LJCWHFRMCMSXDG-ZIAGYGMSSA-N 2 2 298.431 -0.364 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@@H]3CC[NH2+][C@H]3C2)CC1 ZINC000643065046 357776716 /nfs/dbraw/zinc/77/67/16/357776716.db2.gz QWIUTAQJNSZWDK-KBPBESRZSA-N 3 2 280.416 -0.166 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@@H]3CC[NH2+][C@H]3C2)CC1 ZINC000643065046 357776719 /nfs/dbraw/zinc/77/67/19/357776719.db2.gz QWIUTAQJNSZWDK-KBPBESRZSA-N 3 2 280.416 -0.166 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000642902403 357765384 /nfs/dbraw/zinc/76/53/84/357765384.db2.gz RNBXPIWYBIUPPB-LBPRGKRZSA-N 2 2 282.388 -0.591 20 0 CBADLP O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000642914727 357769679 /nfs/dbraw/zinc/76/96/79/357769679.db2.gz QOLJSFQCICUBPV-NSHDSACASA-N 2 2 280.372 -0.839 20 0 CBADLP [NH3+]C[C@H]1CCC[C@@H]1NC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000642950015 357772140 /nfs/dbraw/zinc/77/21/40/357772140.db2.gz PDRWKIMZZKJSSB-YPMHNXCESA-N 2 2 294.399 -0.463 20 0 CBADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000642985852 357774349 /nfs/dbraw/zinc/77/43/49/357774349.db2.gz DHPYDEMEPAFXTP-YPMHNXCESA-N 2 2 294.399 -0.593 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)CC1 ZINC000643472832 357784138 /nfs/dbraw/zinc/78/41/38/357784138.db2.gz IBUYFQHFGXVURJ-STQMWFEESA-N 2 2 294.399 -0.639 20 0 CBADLP CC[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CC)CC2)CC[C@@H]1[NH3+] ZINC000643472975 357785223 /nfs/dbraw/zinc/78/52/23/357785223.db2.gz ZCLVFQXWUHSRAC-OLZOCXBDSA-N 2 2 296.415 -0.264 20 0 CBADLP [NH3+]C[C@H]1CCCCN1C(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000643574470 357788978 /nfs/dbraw/zinc/78/89/78/357788978.db2.gz HNDGTVMZVUOSCC-CYBMUJFWSA-N 2 2 294.399 -0.367 20 0 CBADLP Cc1cn2c([nH+]1)CN(C(=O)C(=O)N1CC[NH2+]C[C@H]1C)CC2 ZINC000643576761 357789025 /nfs/dbraw/zinc/78/90/25/357789025.db2.gz OXYQSRBZWHLWJD-LLVKDONJSA-N 2 2 291.355 -0.646 20 0 CBADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C3CC3)CC2)[C@H](C)C[NH2+]1 ZINC000643581103 357789522 /nfs/dbraw/zinc/78/95/22/357789522.db2.gz OKCVCHAMNLNNDV-VXGBXAGGSA-N 2 2 294.399 -0.498 20 0 CBADLP CNC(=O)C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000371294096 283320842 /nfs/dbraw/zinc/32/08/42/283320842.db2.gz IYRAMOUFKIFTQR-QJPTWQEYSA-N 2 2 255.362 -0.084 20 0 CBADLP CNC(=O)C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000371294096 283320846 /nfs/dbraw/zinc/32/08/46/283320846.db2.gz IYRAMOUFKIFTQR-QJPTWQEYSA-N 2 2 255.362 -0.084 20 0 CBADLP CNC(=O)NC(=O)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118843217 283351116 /nfs/dbraw/zinc/35/11/16/283351116.db2.gz DOWXNSVRVHRNEX-SNVBAGLBSA-N 2 2 256.350 -0.284 20 0 CBADLP CNC(=O)NC(=O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118843217 283351117 /nfs/dbraw/zinc/35/11/17/283351117.db2.gz DOWXNSVRVHRNEX-SNVBAGLBSA-N 2 2 256.350 -0.284 20 0 CBADLP CNC(=O)NC(=O)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118843217 283351118 /nfs/dbraw/zinc/35/11/18/283351118.db2.gz DOWXNSVRVHRNEX-SNVBAGLBSA-N 2 2 256.350 -0.284 20 0 CBADLP CNC(=O)NC(=O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118843217 283351119 /nfs/dbraw/zinc/35/11/19/283351119.db2.gz DOWXNSVRVHRNEX-SNVBAGLBSA-N 2 2 256.350 -0.284 20 0 CBADLP COC(=O)N1CCC[C@H](C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])C1 ZINC000496062173 291186073 /nfs/dbraw/zinc/18/60/73/291186073.db2.gz AJSBLPRMTXFWNU-RYUDHWBXSA-N 2 2 298.387 -0.434 20 0 CBADLP COC(=O)N1CCC[C@H](C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])C1 ZINC000496062173 291186075 /nfs/dbraw/zinc/18/60/75/291186075.db2.gz AJSBLPRMTXFWNU-RYUDHWBXSA-N 2 2 298.387 -0.434 20 0 CBADLP COC(=O)NCCCC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000496501376 291197698 /nfs/dbraw/zinc/19/76/98/291197698.db2.gz YZAUXNSOWJLPDE-SNVBAGLBSA-N 2 2 272.349 -0.776 20 0 CBADLP COC(=O)NCCCC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000496501376 291197700 /nfs/dbraw/zinc/19/77/00/291197700.db2.gz YZAUXNSOWJLPDE-SNVBAGLBSA-N 2 2 272.349 -0.776 20 0 CBADLP C[C@@H](CC(N)=O)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000341889471 216139094 /nfs/dbraw/zinc/13/90/94/216139094.db2.gz OJRXFWIGEJFBJK-NWDGAFQWSA-N 2 2 284.404 -0.217 20 0 CBADLP C[C@@H](CC(N)=O)[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000341889471 216139095 /nfs/dbraw/zinc/13/90/95/216139095.db2.gz OJRXFWIGEJFBJK-NWDGAFQWSA-N 2 2 284.404 -0.217 20 0 CBADLP C[N@H+](CCCn1cc[nH+]c1)CCCS(N)(=O)=O ZINC000179292329 189183550 /nfs/dbraw/zinc/18/35/50/189183550.db2.gz SWDIMACKPCERPH-UHFFFAOYSA-N 2 2 260.363 -0.116 20 0 CBADLP C[N@@H+](CCCn1cc[nH+]c1)CCCS(N)(=O)=O ZINC000179292329 189183551 /nfs/dbraw/zinc/18/35/51/189183551.db2.gz SWDIMACKPCERPH-UHFFFAOYSA-N 2 2 260.363 -0.116 20 0 CBADLP C[C@H]([NH2+]CC1([NH3+])CCC1)C(=O)N(C)CC(=O)NC1CC1 ZINC000342145885 216237921 /nfs/dbraw/zinc/23/79/21/216237921.db2.gz VMWMSIDEOMAVGV-JTQLQIEISA-N 2 2 282.388 -0.417 20 0 CBADLP C[NH+](C)CC(=O)N1CC[NH+](C[C@H](O)CC2(O)CCC2)CC1 ZINC000528350885 283606542 /nfs/dbraw/zinc/60/65/42/283606542.db2.gz NMEANGWFOJQRKW-CYBMUJFWSA-N 2 2 299.415 -0.642 20 0 CBADLP Cc1nc(N2CC[NH+](CCOCCO)CC2)cc[nH+]1 ZINC000183780683 189367580 /nfs/dbraw/zinc/36/75/80/189367580.db2.gz LHRZHIXYIDMKED-UHFFFAOYSA-N 2 2 266.345 -0.084 20 0 CBADLP COC[C@@H](O)C[NH+]1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000183775176 189367651 /nfs/dbraw/zinc/36/76/51/189367651.db2.gz KZTNEJKHVUXPBU-LBPRGKRZSA-N 2 2 266.345 -0.086 20 0 CBADLP CNC(=O)[C@@H]1C[N@H+](CCCn2cc[nH+]c2)CCO1 ZINC000184067477 189375264 /nfs/dbraw/zinc/37/52/64/189375264.db2.gz QPIBCOONSGWALI-NSHDSACASA-N 2 2 252.318 -0.280 20 0 CBADLP CNC(=O)[C@@H]1C[N@@H+](CCCn2cc[nH+]c2)CCO1 ZINC000184067477 189375265 /nfs/dbraw/zinc/37/52/65/189375265.db2.gz QPIBCOONSGWALI-NSHDSACASA-N 2 2 252.318 -0.280 20 0 CBADLP CC[N@H+](CCO)CCNC(=O)NCCn1cc[nH+]c1 ZINC000183904357 189370613 /nfs/dbraw/zinc/37/06/13/189370613.db2.gz PIPZMBKDGNAVRB-UHFFFAOYSA-N 2 2 269.349 -0.504 20 0 CBADLP CC[N@@H+](CCO)CCNC(=O)NCCn1cc[nH+]c1 ZINC000183904357 189370614 /nfs/dbraw/zinc/37/06/14/189370614.db2.gz PIPZMBKDGNAVRB-UHFFFAOYSA-N 2 2 269.349 -0.504 20 0 CBADLP C[C@H]([NH3+])CCC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000193293862 189639623 /nfs/dbraw/zinc/63/96/23/189639623.db2.gz AKOUFPAVOJDSQM-RYUDHWBXSA-N 2 2 296.415 -0.075 20 0 CBADLP C[C@]1(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC[NH2+]C1 ZINC000514949307 291380427 /nfs/dbraw/zinc/38/04/27/291380427.db2.gz DKQTYRGGPKOFKQ-LOWVWBTDSA-N 3 2 252.362 -0.770 20 0 CBADLP C[C@]1(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC[NH2+]C1 ZINC000514949307 291380429 /nfs/dbraw/zinc/38/04/29/291380429.db2.gz DKQTYRGGPKOFKQ-LOWVWBTDSA-N 3 2 252.362 -0.770 20 0 CBADLP C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)[C@H]1CCC[NH2+]1 ZINC000422709499 296120700 /nfs/dbraw/zinc/12/07/00/296120700.db2.gz DRVCTDHIQRDSBT-CHWSQXEVSA-N 3 2 268.405 -0.119 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000330650631 203079576 /nfs/dbraw/zinc/07/95/76/203079576.db2.gz XMQFZXDVIQYGFM-CYBMUJFWSA-N 2 2 298.431 -0.005 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000330650631 203079580 /nfs/dbraw/zinc/07/95/80/203079580.db2.gz XMQFZXDVIQYGFM-CYBMUJFWSA-N 2 2 298.431 -0.005 20 0 CBADLP COC(=O)[C@@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)CC1(C)C ZINC000378373269 284116165 /nfs/dbraw/zinc/11/61/65/284116165.db2.gz BIWXXGWEKSATBG-LBPRGKRZSA-N 2 2 297.399 -0.109 20 0 CBADLP COC(=O)[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)CC1(C)C ZINC000378373269 284116170 /nfs/dbraw/zinc/11/61/70/284116170.db2.gz BIWXXGWEKSATBG-LBPRGKRZSA-N 2 2 297.399 -0.109 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NCc1c[nH+]c[nH]1 ZINC000330817823 203273486 /nfs/dbraw/zinc/27/34/86/203273486.db2.gz PBTKSQYZIJBLAW-JTQLQIEISA-N 2 2 252.318 -0.006 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)c1ccnc(C[NH3+])c1 ZINC000344103257 217050900 /nfs/dbraw/zinc/05/09/00/217050900.db2.gz KECOTAAIRLBKKB-UHFFFAOYSA-N 2 2 278.356 -0.056 20 0 CBADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000344280154 217129865 /nfs/dbraw/zinc/12/98/65/217129865.db2.gz IUZWTNHUVVEZEP-STQMWFEESA-N 3 2 268.405 -0.310 20 0 CBADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000344280154 217129867 /nfs/dbraw/zinc/12/98/67/217129867.db2.gz IUZWTNHUVVEZEP-STQMWFEESA-N 3 2 268.405 -0.310 20 0 CBADLP CO[C@@H]1CC[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000344415143 217185512 /nfs/dbraw/zinc/18/55/12/217185512.db2.gz UUNFBSSOXVXLJI-CYBMUJFWSA-N 2 2 299.415 -0.066 20 0 CBADLP CO[C@@H]1CC[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000344415143 217185514 /nfs/dbraw/zinc/18/55/14/217185514.db2.gz UUNFBSSOXVXLJI-CYBMUJFWSA-N 2 2 299.415 -0.066 20 0 CBADLP C[C@@H]1C[NH+](CCCNC(=O)[C@@H]2[NH2+]CCO[C@H]2C)C[C@@H](C)O1 ZINC000344475143 217205001 /nfs/dbraw/zinc/20/50/01/217205001.db2.gz PWKYFMNUDUNDAR-YIYPIFLZSA-N 2 2 299.415 -0.021 20 0 CBADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCC[NH+]1CCOCC1 ZINC000333141567 205065679 /nfs/dbraw/zinc/06/56/79/205065679.db2.gz JLABJHAKQVQBTG-VXGBXAGGSA-N 2 2 270.377 -0.384 20 0 CBADLP CNC(=O)NC(=O)C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000118843219 372793436 /nfs/dbraw/zinc/79/34/36/372793436.db2.gz DOWXNSVRVHRNEX-JTQLQIEISA-N 2 2 256.350 -0.284 20 0 CBADLP CNC(=O)NC(=O)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000118843219 372793443 /nfs/dbraw/zinc/79/34/43/372793443.db2.gz DOWXNSVRVHRNEX-JTQLQIEISA-N 2 2 256.350 -0.284 20 0 CBADLP CNC(=O)NC(=O)C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000118843219 372793447 /nfs/dbraw/zinc/79/34/47/372793447.db2.gz DOWXNSVRVHRNEX-JTQLQIEISA-N 2 2 256.350 -0.284 20 0 CBADLP CNC(=O)NC(=O)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000118843219 372793454 /nfs/dbraw/zinc/79/34/54/372793454.db2.gz DOWXNSVRVHRNEX-JTQLQIEISA-N 2 2 256.350 -0.284 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](C)C[C@H]2C)C1 ZINC000353430503 220078327 /nfs/dbraw/zinc/07/83/27/220078327.db2.gz XHADRBJNDHLMLF-NEPJUHHUSA-N 2 2 255.362 -0.130 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[NH+](C)C[C@H]2C)C1 ZINC000353430503 220078329 /nfs/dbraw/zinc/07/83/29/220078329.db2.gz XHADRBJNDHLMLF-NEPJUHHUSA-N 2 2 255.362 -0.130 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)N2CC[N@H+](C)C[C@H]2C)C1 ZINC000353430503 220078331 /nfs/dbraw/zinc/07/83/31/220078331.db2.gz XHADRBJNDHLMLF-NEPJUHHUSA-N 2 2 255.362 -0.130 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)N2CC[N@@H+](C)C[C@H]2C)C1 ZINC000353430503 220078335 /nfs/dbraw/zinc/07/83/35/220078335.db2.gz XHADRBJNDHLMLF-NEPJUHHUSA-N 2 2 255.362 -0.130 20 0 CBADLP CC[C@H](Cn1cncn1)[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000353427863 220078444 /nfs/dbraw/zinc/07/84/44/220078444.db2.gz PNNKYOAKKWCTHV-OLZOCXBDSA-N 2 2 266.393 -0.108 20 0 CBADLP CC[C@H](Cn1cncn1)[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000353427863 220078446 /nfs/dbraw/zinc/07/84/46/220078446.db2.gz PNNKYOAKKWCTHV-OLZOCXBDSA-N 2 2 266.393 -0.108 20 0 CBADLP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)NCC[NH+]1CCOCC1 ZINC000333156722 205077848 /nfs/dbraw/zinc/07/78/48/205077848.db2.gz LGLKRCDRNLWOLG-RYUDHWBXSA-N 2 2 270.377 -0.242 20 0 CBADLP CC[C@H]([NH3+])C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000164518806 372824136 /nfs/dbraw/zinc/82/41/36/372824136.db2.gz APNOZCAGPRGYTO-ZDUSSCGKSA-N 2 2 296.415 -0.120 20 0 CBADLP CC[C@H]([NH3+])C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000164518806 372824151 /nfs/dbraw/zinc/82/41/51/372824151.db2.gz APNOZCAGPRGYTO-ZDUSSCGKSA-N 2 2 296.415 -0.120 20 0 CBADLP CC[NH+]1CCN(CC(=O)NCCn2cc[nH+]c2)CC1 ZINC000344646461 217260619 /nfs/dbraw/zinc/26/06/19/217260619.db2.gz QDOBNIFIYHNPBG-UHFFFAOYSA-N 2 2 265.361 -0.363 20 0 CBADLP CNC(=O)NC(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247941393 372888548 /nfs/dbraw/zinc/88/85/48/372888548.db2.gz DAPXHFRXJRTXPP-WDEREUQCSA-N 2 2 268.361 -0.142 20 0 CBADLP CNC(=O)NC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247941393 372888559 /nfs/dbraw/zinc/88/85/59/372888559.db2.gz DAPXHFRXJRTXPP-WDEREUQCSA-N 2 2 268.361 -0.142 20 0 CBADLP CNC(=O)NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247941393 372888569 /nfs/dbraw/zinc/88/85/69/372888569.db2.gz DAPXHFRXJRTXPP-WDEREUQCSA-N 2 2 268.361 -0.142 20 0 CBADLP CNC(=O)NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247941393 372888575 /nfs/dbraw/zinc/88/85/75/372888575.db2.gz DAPXHFRXJRTXPP-WDEREUQCSA-N 2 2 268.361 -0.142 20 0 CBADLP C[N@@H+]1CCC[C@H]2C[NH+](CCNS(C)(=O)=O)CC[C@H]21 ZINC000248002122 372889424 /nfs/dbraw/zinc/88/94/24/372889424.db2.gz KMYUQLVBURFJKK-NWDGAFQWSA-N 2 2 275.418 -0.048 20 0 CBADLP C[N@H+]1CCC[C@H]2C[NH+](CCNS(C)(=O)=O)CC[C@H]21 ZINC000248002122 372889433 /nfs/dbraw/zinc/88/94/33/372889433.db2.gz KMYUQLVBURFJKK-NWDGAFQWSA-N 2 2 275.418 -0.048 20 0 CBADLP C[NH+]1CCC[C@H]2C[N@H+](CCNS(C)(=O)=O)CC[C@H]21 ZINC000248002122 372889436 /nfs/dbraw/zinc/88/94/36/372889436.db2.gz KMYUQLVBURFJKK-NWDGAFQWSA-N 2 2 275.418 -0.048 20 0 CBADLP C[NH+]1CCC[C@H]2C[N@@H+](CCNS(C)(=O)=O)CC[C@H]21 ZINC000248002122 372889442 /nfs/dbraw/zinc/88/94/42/372889442.db2.gz KMYUQLVBURFJKK-NWDGAFQWSA-N 2 2 275.418 -0.048 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2C[NH+](C)CCN2C)C1 ZINC000353497207 220117788 /nfs/dbraw/zinc/11/77/88/220117788.db2.gz CDCFJLKODLHSQH-QWHCGFSZSA-N 2 2 284.404 -0.931 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2C[NH+](C)CCN2C)C1 ZINC000353497207 220117790 /nfs/dbraw/zinc/11/77/90/220117790.db2.gz CDCFJLKODLHSQH-QWHCGFSZSA-N 2 2 284.404 -0.931 20 0 CBADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@H]2C[N@H+](C)CCN2C)C1 ZINC000353497207 220117791 /nfs/dbraw/zinc/11/77/91/220117791.db2.gz CDCFJLKODLHSQH-QWHCGFSZSA-N 2 2 284.404 -0.931 20 0 CBADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@H]2C[N@@H+](C)CCN2C)C1 ZINC000353497207 220117793 /nfs/dbraw/zinc/11/77/93/220117793.db2.gz CDCFJLKODLHSQH-QWHCGFSZSA-N 2 2 284.404 -0.931 20 0 CBADLP C[C@H](NC(=O)[C@H]1COCC[NH2+]1)[C@H](C)[NH+]1CCOCC1 ZINC000262664138 372911051 /nfs/dbraw/zinc/91/10/51/372911051.db2.gz IMILQKCQGAAGJD-SDDRHHMPSA-N 2 2 271.361 -0.800 20 0 CBADLP CC(C)[C@H](C(=O)NCCC[N@@H+]1CCNC(=O)C1)[NH+](C)C ZINC000344718071 217288457 /nfs/dbraw/zinc/28/84/57/217288457.db2.gz WNQIIDOSDKRCGM-CYBMUJFWSA-N 2 2 284.404 -0.489 20 0 CBADLP CC(C)[C@H](C(=O)NCCC[N@H+]1CCNC(=O)C1)[NH+](C)C ZINC000344718071 217288459 /nfs/dbraw/zinc/28/84/59/217288459.db2.gz WNQIIDOSDKRCGM-CYBMUJFWSA-N 2 2 284.404 -0.489 20 0 CBADLP CC[C@H](C(=O)NCCC[N@@H+]1CCNC(=O)C1)[NH+](C)C ZINC000344720029 217287955 /nfs/dbraw/zinc/28/79/55/217287955.db2.gz YLKIKSWHMBJNIF-LLVKDONJSA-N 2 2 270.377 -0.735 20 0 CBADLP CC[C@H](C(=O)NCCC[N@H+]1CCNC(=O)C1)[NH+](C)C ZINC000344720029 217287958 /nfs/dbraw/zinc/28/79/58/217287958.db2.gz YLKIKSWHMBJNIF-LLVKDONJSA-N 2 2 270.377 -0.735 20 0 CBADLP C[NH2+][C@H](C(=O)N1CC[NH+](C)CC1)c1cnn(C)c1 ZINC000285858410 372945009 /nfs/dbraw/zinc/94/50/09/372945009.db2.gz AXUGBIJRHCVTFU-NSHDSACASA-N 2 2 251.334 -0.545 20 0 CBADLP C[N@@H+](CC(=O)NC(=O)NC1CCCCC1)C[C@H](O)C[NH3+] ZINC000313187375 372968722 /nfs/dbraw/zinc/96/87/22/372968722.db2.gz LHTUNGKWYTVRCC-LLVKDONJSA-N 2 2 286.376 -0.604 20 0 CBADLP C[N@H+](CC(=O)NC(=O)NC1CCCCC1)C[C@H](O)C[NH3+] ZINC000313187375 372968734 /nfs/dbraw/zinc/96/87/34/372968734.db2.gz LHTUNGKWYTVRCC-LLVKDONJSA-N 2 2 286.376 -0.604 20 0 CBADLP O[C@@H](C[NH2+]CCN1CCC(O)CC1)C[NH+]1CCCC1 ZINC000321414578 372969052 /nfs/dbraw/zinc/96/90/52/372969052.db2.gz USZSBGNFANGLKV-AWEZNQCLSA-N 2 2 271.405 -0.511 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2COCC2(C)C)CC1 ZINC000313062601 372969204 /nfs/dbraw/zinc/96/92/04/372969204.db2.gz PJSHIULQXHHVOV-LLVKDONJSA-N 2 2 255.362 -0.225 20 0 CBADLP CN(C)c1[nH+]cc(C[NH2+][C@H]2CCc3nnnn3CC2)n1C ZINC000333414207 205302199 /nfs/dbraw/zinc/30/21/99/205302199.db2.gz HTJWRRHGZYDYSC-JTQLQIEISA-N 2 2 290.375 -0.033 20 0 CBADLP CC(=O)N1CCN(CC[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000343278451 373048833 /nfs/dbraw/zinc/04/88/33/373048833.db2.gz JXBVXWMDTFDIQX-JSGCOSHPSA-N 2 2 268.405 -0.310 20 0 CBADLP CC(=O)N1CCN(CC[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000343278451 373048836 /nfs/dbraw/zinc/04/88/36/373048836.db2.gz JXBVXWMDTFDIQX-JSGCOSHPSA-N 2 2 268.405 -0.310 20 0 CBADLP [NH3+][C@H]1CCc2nc(NC(=O)[C@H]3COCC[NH2+]3)sc2C1 ZINC000343436955 373051922 /nfs/dbraw/zinc/05/19/22/373051922.db2.gz MCYPAKSTTLVCQG-IONNQARKSA-N 2 2 282.369 -0.114 20 0 CBADLP COc1cc[nH+]cc1NC(=O)C(=O)NCC[NH+](C)C ZINC000344814729 217319975 /nfs/dbraw/zinc/31/99/75/217319975.db2.gz AKGLNSVNFSUWBZ-UHFFFAOYSA-N 2 2 266.301 -0.294 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@H]2C[NH+](C)CCO2)[C@@H](C)C[N@@H+]1C ZINC000351986491 373099539 /nfs/dbraw/zinc/09/95/39/373099539.db2.gz JHTWBHHPZUGJIS-WOPDTQHZSA-N 2 2 255.362 -0.132 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@H]2C[NH+](C)CCO2)[C@@H](C)C[N@H+]1C ZINC000351986491 373099549 /nfs/dbraw/zinc/09/95/49/373099549.db2.gz JHTWBHHPZUGJIS-WOPDTQHZSA-N 2 2 255.362 -0.132 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)[C@@H](C)C[NH+]1C ZINC000351986491 373099558 /nfs/dbraw/zinc/09/95/58/373099558.db2.gz JHTWBHHPZUGJIS-WOPDTQHZSA-N 2 2 255.362 -0.132 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)[C@@H](C)C[NH+]1C ZINC000351986491 373099565 /nfs/dbraw/zinc/09/95/65/373099565.db2.gz JHTWBHHPZUGJIS-WOPDTQHZSA-N 2 2 255.362 -0.132 20 0 CBADLP C[C@@H]1OCC[C@H]1[N@H+](CCO)C[C@H](O)C[NH+](C)C1CC1 ZINC000352364765 373102110 /nfs/dbraw/zinc/10/21/10/373102110.db2.gz IHXXXKKRMWSBBI-IACUBPJLSA-N 2 2 272.389 -0.087 20 0 CBADLP C[C@@H]1OCC[C@H]1[N@@H+](CCO)C[C@H](O)C[NH+](C)C1CC1 ZINC000352364765 373102118 /nfs/dbraw/zinc/10/21/18/373102118.db2.gz IHXXXKKRMWSBBI-IACUBPJLSA-N 2 2 272.389 -0.087 20 0 CBADLP C[C@@H]1OCC[C@H]1[NH+](CCO)C[C@H](O)C[N@H+](C)C1CC1 ZINC000352364765 373102126 /nfs/dbraw/zinc/10/21/26/373102126.db2.gz IHXXXKKRMWSBBI-IACUBPJLSA-N 2 2 272.389 -0.087 20 0 CBADLP C[C@@H]1OCC[C@H]1[NH+](CCO)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000352364765 373102129 /nfs/dbraw/zinc/10/21/29/373102129.db2.gz IHXXXKKRMWSBBI-IACUBPJLSA-N 2 2 272.389 -0.087 20 0 CBADLP C[C@H]([NH3+])C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000353501320 373113203 /nfs/dbraw/zinc/11/32/03/373113203.db2.gz MJKDLHIVFIJECA-LBPRGKRZSA-N 2 2 282.388 -0.510 20 0 CBADLP C[C@H]([NH3+])C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000353501320 373113210 /nfs/dbraw/zinc/11/32/10/373113210.db2.gz MJKDLHIVFIJECA-LBPRGKRZSA-N 2 2 282.388 -0.510 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000358014335 373170342 /nfs/dbraw/zinc/17/03/42/373170342.db2.gz CKKLYEMVQJSGIF-UTUOFQBUSA-N 2 2 275.418 -0.050 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000358014335 373170345 /nfs/dbraw/zinc/17/03/45/373170345.db2.gz CKKLYEMVQJSGIF-UTUOFQBUSA-N 2 2 275.418 -0.050 20 0 CBADLP COCC[NH+]1CCC([NH2+]C[C@H](O)C[NH+](C)C)CC1 ZINC000361209729 373268120 /nfs/dbraw/zinc/26/81/20/373268120.db2.gz VGLPHZCNGDEHIN-ZDUSSCGKSA-N 3 2 259.394 -0.391 20 0 CBADLP C[C@H](C[NH+](C)C)NS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000344921492 217357979 /nfs/dbraw/zinc/35/79/79/217357979.db2.gz QHNBNEUWUNXALG-GFCCVEGCSA-N 2 2 293.433 -0.422 20 0 CBADLP Cc1[nH+]ccn1CCCNC(=O)[C@@H]1COCC[NH2+]1 ZINC000361720067 373331409 /nfs/dbraw/zinc/33/14/09/373331409.db2.gz WSVGKMUCHGTPAZ-NSHDSACASA-N 2 2 252.318 -0.314 20 0 CBADLP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000362539755 373421445 /nfs/dbraw/zinc/42/14/45/373421445.db2.gz HVZXTROQWCXWPO-NWDGAFQWSA-N 2 2 255.362 -0.679 20 0 CBADLP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000362539755 373421451 /nfs/dbraw/zinc/42/14/51/373421451.db2.gz HVZXTROQWCXWPO-NWDGAFQWSA-N 2 2 255.362 -0.679 20 0 CBADLP CN1C(=O)[C@@H]2C[N@H+](CCCn3cc[nH+]c3)CCN2C1=O ZINC000362233920 373380313 /nfs/dbraw/zinc/38/03/13/373380313.db2.gz GRKWPLMJVMITJD-NSHDSACASA-N 2 2 277.328 -0.149 20 0 CBADLP CN1C(=O)[C@@H]2C[N@@H+](CCCn3cc[nH+]c3)CCN2C1=O ZINC000362233920 373380322 /nfs/dbraw/zinc/38/03/22/373380322.db2.gz GRKWPLMJVMITJD-NSHDSACASA-N 2 2 277.328 -0.149 20 0 CBADLP CCC[C@@H]1CN(C(=O)C[NH+](C)C)CCN1C(=O)C[NH+](C)C ZINC000362348868 373395128 /nfs/dbraw/zinc/39/51/28/373395128.db2.gz OGOYHYXQCVAQIK-CYBMUJFWSA-N 2 2 298.431 -0.051 20 0 CBADLP C[C@H](C(=O)NC1CC1)[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362836216 373451792 /nfs/dbraw/zinc/45/17/92/373451792.db2.gz FCKBXANFSYSAII-YPMHNXCESA-N 2 2 294.399 -0.450 20 0 CBADLP C[C@H](C(=O)NC1CC1)[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362836216 373451797 /nfs/dbraw/zinc/45/17/97/373451797.db2.gz FCKBXANFSYSAII-YPMHNXCESA-N 2 2 294.399 -0.450 20 0 CBADLP O=C1CCCN1CC[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362841239 373451933 /nfs/dbraw/zinc/45/19/33/373451933.db2.gz VPIGXNHMCSMIMZ-CYBMUJFWSA-N 2 2 294.399 -0.495 20 0 CBADLP O=C1CCCN1CC[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362841239 373451939 /nfs/dbraw/zinc/45/19/39/373451939.db2.gz VPIGXNHMCSMIMZ-CYBMUJFWSA-N 2 2 294.399 -0.495 20 0 CBADLP CC[C@H](C)NC(=O)C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362831755 373452067 /nfs/dbraw/zinc/45/20/67/373452067.db2.gz SRIMMBKQVXEMMV-STQMWFEESA-N 2 2 296.415 -0.203 20 0 CBADLP CC[C@H](C)NC(=O)C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362831755 373452072 /nfs/dbraw/zinc/45/20/72/373452072.db2.gz SRIMMBKQVXEMMV-STQMWFEESA-N 2 2 296.415 -0.203 20 0 CBADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](CCn2cncn2)C1 ZINC000362839729 373453397 /nfs/dbraw/zinc/45/33/97/373453397.db2.gz QXRZVKPLXIDHEC-LBPRGKRZSA-N 2 2 278.360 -0.826 20 0 CBADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](CCn2cncn2)C1 ZINC000362839729 373453401 /nfs/dbraw/zinc/45/34/01/373453401.db2.gz QXRZVKPLXIDHEC-LBPRGKRZSA-N 2 2 278.360 -0.826 20 0 CBADLP NS(=O)(=O)N1CCC[N@H+](CCn2cc[nH+]c2)CC1 ZINC000363460277 373493178 /nfs/dbraw/zinc/49/31/78/373493178.db2.gz ZUEOKIJOOCWWLS-UHFFFAOYSA-N 2 2 273.362 -0.906 20 0 CBADLP NS(=O)(=O)N1CCC[N@@H+](CCn2cc[nH+]c2)CC1 ZINC000363460277 373493184 /nfs/dbraw/zinc/49/31/84/373493184.db2.gz ZUEOKIJOOCWWLS-UHFFFAOYSA-N 2 2 273.362 -0.906 20 0 CBADLP O=C([C@@H]1C[NH+]2CCC1CC2)N1CC[NH+](CCO)CC1 ZINC000363566693 373497931 /nfs/dbraw/zinc/49/79/31/373497931.db2.gz UMIINBSZVHLTGG-CYBMUJFWSA-N 2 2 267.373 -0.535 20 0 CBADLP CNC(=O)C[N@@H+]1CCCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000363631906 373499964 /nfs/dbraw/zinc/49/99/64/373499964.db2.gz UHGNWEGXVWTLPH-UHFFFAOYSA-N 2 2 293.371 -0.447 20 0 CBADLP CNC(=O)C[N@H+]1CCCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000363631906 373499971 /nfs/dbraw/zinc/49/99/71/373499971.db2.gz UHGNWEGXVWTLPH-UHFFFAOYSA-N 2 2 293.371 -0.447 20 0 CBADLP NC(=O)C[N@@H+]1CCCN(c2[nH+]cnc3[nH]ccc32)CC1 ZINC000364104304 373519243 /nfs/dbraw/zinc/51/92/43/373519243.db2.gz RUYPAVPNLMXTDE-UHFFFAOYSA-N 2 2 274.328 -0.045 20 0 CBADLP NC(=O)C[N@H+]1CCCN(c2[nH+]cnc3[nH]ccc32)CC1 ZINC000364104304 373519252 /nfs/dbraw/zinc/51/92/52/373519252.db2.gz RUYPAVPNLMXTDE-UHFFFAOYSA-N 2 2 274.328 -0.045 20 0 CBADLP COC(=O)[C@H]1C[C@H](NC(=O)C2([NH3+])CCCCC2)C[NH2+]1 ZINC000365693707 373525258 /nfs/dbraw/zinc/52/52/58/373525258.db2.gz GVXSIICBTHDQHS-VHSXEESVSA-N 2 2 269.345 -0.332 20 0 CBADLP COC(=O)[C@H]1C[C@H](NC(=O)[C@]2(C)CCCC[NH2+]2)C[NH2+]1 ZINC000365692334 373525420 /nfs/dbraw/zinc/52/54/20/373525420.db2.gz ADULCHSERDKNPH-CWSCBRNRSA-N 2 2 269.345 -0.462 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[NH2+][C@@H](c3ccncc3)C2)C1 ZINC000367084629 373534223 /nfs/dbraw/zinc/53/42/23/373534223.db2.gz NGGIHHFEEPZWCI-ZIAGYGMSSA-N 2 2 290.367 -0.115 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N2CC[NH2+][C@@H](c3ccncc3)C2)C1 ZINC000367084629 373534230 /nfs/dbraw/zinc/53/42/30/373534230.db2.gz NGGIHHFEEPZWCI-ZIAGYGMSSA-N 2 2 290.367 -0.115 20 0 CBADLP CCN1C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)CC1=O ZINC000391588949 373580959 /nfs/dbraw/zinc/58/09/59/373580959.db2.gz LCXFUSZRYVDBIJ-ZYHUDNBSSA-N 2 2 255.362 -0.348 20 0 CBADLP CCN1C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)CC1=O ZINC000391588949 373580964 /nfs/dbraw/zinc/58/09/64/373580964.db2.gz LCXFUSZRYVDBIJ-ZYHUDNBSSA-N 2 2 255.362 -0.348 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)C[S@@](C)=O ZINC000398885989 373583763 /nfs/dbraw/zinc/58/37/63/373583763.db2.gz WUZZLXMCLKBVAF-XMZIXOGTSA-N 2 2 250.408 -0.002 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)C[S@@](C)=O ZINC000398885989 373583768 /nfs/dbraw/zinc/58/37/68/373583768.db2.gz WUZZLXMCLKBVAF-XMZIXOGTSA-N 2 2 250.408 -0.002 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@@H](C)C[S@@](C)=O ZINC000398885989 373583773 /nfs/dbraw/zinc/58/37/73/373583773.db2.gz WUZZLXMCLKBVAF-XMZIXOGTSA-N 2 2 250.408 -0.002 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H](C)C[S@@](C)=O ZINC000398885989 373583782 /nfs/dbraw/zinc/58/37/82/373583782.db2.gz WUZZLXMCLKBVAF-XMZIXOGTSA-N 2 2 250.408 -0.002 20 0 CBADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)C[NH+](C)C ZINC000367426463 373537972 /nfs/dbraw/zinc/53/79/72/373537972.db2.gz OUUDOMMYDWFZBE-NEPJUHHUSA-N 2 2 255.362 -0.130 20 0 CBADLP CNC(=O)C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000371294097 373553157 /nfs/dbraw/zinc/55/31/57/373553157.db2.gz IYRAMOUFKIFTQR-SDDRHHMPSA-N 2 2 255.362 -0.084 20 0 CBADLP CNC(=O)C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000371294097 373553169 /nfs/dbraw/zinc/55/31/69/373553169.db2.gz IYRAMOUFKIFTQR-SDDRHHMPSA-N 2 2 255.362 -0.084 20 0 CBADLP CC[C@H]([NH3+])C(=O)N1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000378208494 373578500 /nfs/dbraw/zinc/57/85/00/373578500.db2.gz HCQSLTHAGOVMDW-NWDGAFQWSA-N 2 2 282.388 -0.463 20 0 CBADLP COCCC[N@@H+]1CCCN(C(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000378206707 373578567 /nfs/dbraw/zinc/57/85/67/373578567.db2.gz QDHCTTSFSZFQEJ-ZDUSSCGKSA-N 2 2 285.388 -0.454 20 0 CBADLP COCCC[N@H+]1CCCN(C(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000378206707 373578571 /nfs/dbraw/zinc/57/85/71/373578571.db2.gz QDHCTTSFSZFQEJ-ZDUSSCGKSA-N 2 2 285.388 -0.454 20 0 CBADLP Cc1cccc2[nH+]c(CNC(=O)[C@H]([NH3+])CC(N)=O)cn21 ZINC000353646541 220222253 /nfs/dbraw/zinc/22/22/53/220222253.db2.gz YPSODWJOVKKQRF-SNVBAGLBSA-N 2 2 275.312 -0.538 20 0 CBADLP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[NH2+][C@@H](C)C2)CC[N@@H+]1C ZINC000423373566 373656949 /nfs/dbraw/zinc/65/69/49/373656949.db2.gz HJQIVVYYDJSRGE-QWHCGFSZSA-N 2 2 296.415 -0.395 20 0 CBADLP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[NH2+][C@@H](C)C2)CC[N@H+]1C ZINC000423373566 373656956 /nfs/dbraw/zinc/65/69/56/373656956.db2.gz HJQIVVYYDJSRGE-QWHCGFSZSA-N 2 2 296.415 -0.395 20 0 CBADLP COC(=O)[C@@H]1CN(C(=O)/C=C/c2[nH]cc[nH+]2)CC[N@H+](C)C1 ZINC000493469520 373715443 /nfs/dbraw/zinc/71/54/43/373715443.db2.gz SYSJQUOSUISQFF-UFFNRZRYSA-N 2 2 292.339 -0.014 20 0 CBADLP COC(=O)[C@@H]1CN(C(=O)/C=C/c2[nH]cc[nH+]2)CC[N@@H+](C)C1 ZINC000493469520 373715449 /nfs/dbraw/zinc/71/54/49/373715449.db2.gz SYSJQUOSUISQFF-UFFNRZRYSA-N 2 2 292.339 -0.014 20 0 CBADLP C[C@H]1CCCN(C(=O)C(=O)N2CC[NH+](C)CC2)[C@H]1C[NH3+] ZINC000423741826 373663169 /nfs/dbraw/zinc/66/31/69/373663169.db2.gz TYZJOAQGAOIWKJ-RYUDHWBXSA-N 2 2 282.388 -0.654 20 0 CBADLP C[C@@H](O)C[NH+]1CCN(Cc2c[nH+]c(N(C)C)n2C)CC1 ZINC000425336502 373666840 /nfs/dbraw/zinc/66/68/40/373666840.db2.gz LINXHFADNLVZIO-GFCCVEGCSA-N 2 2 281.404 -0.016 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C[C@H]1CSCC[NH2+]1 ZINC000434876816 373677836 /nfs/dbraw/zinc/67/78/36/373677836.db2.gz KOXHYNHOJYEKBL-RYUDHWBXSA-N 2 2 287.429 -0.082 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)C[C@H]1CSCC[NH2+]1 ZINC000434876816 373677842 /nfs/dbraw/zinc/67/78/42/373677842.db2.gz KOXHYNHOJYEKBL-RYUDHWBXSA-N 2 2 287.429 -0.082 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)C1([NH3+])CCOCC1 ZINC000353649055 220226178 /nfs/dbraw/zinc/22/61/78/220226178.db2.gz VFCYAEDFUPGQQW-UHFFFAOYSA-N 2 2 271.361 -0.715 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@H]2CCC[NH+]2C)C[C@H](C)[N@H+]1CCO ZINC000456218784 373692628 /nfs/dbraw/zinc/69/26/28/373692628.db2.gz ZYGSSFXOYOVKGQ-XQQFMLRXSA-N 2 2 269.389 -0.006 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@H]2CCC[NH+]2C)C[C@H](C)[N@@H+]1CCO ZINC000456218784 373692644 /nfs/dbraw/zinc/69/26/44/373692644.db2.gz ZYGSSFXOYOVKGQ-XQQFMLRXSA-N 2 2 269.389 -0.006 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H](C)[NH+]1CCO ZINC000456218784 373692651 /nfs/dbraw/zinc/69/26/51/373692651.db2.gz ZYGSSFXOYOVKGQ-XQQFMLRXSA-N 2 2 269.389 -0.006 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H](C)[NH+]1CCO ZINC000456218784 373692656 /nfs/dbraw/zinc/69/26/56/373692656.db2.gz ZYGSSFXOYOVKGQ-XQQFMLRXSA-N 2 2 269.389 -0.006 20 0 CBADLP Cc1nc(N2CC[NH+](C[C@H](C)O)CC2)nc(N(C)C)[nH+]1 ZINC000489948682 373702172 /nfs/dbraw/zinc/70/21/72/373702172.db2.gz JXIYGFIJSHPJEY-JTQLQIEISA-N 2 2 280.376 -0.251 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](n3ccnn3)C2)CC1 ZINC000514933337 373770660 /nfs/dbraw/zinc/77/06/60/373770660.db2.gz LCOSKUXFEQUYMF-CYBMUJFWSA-N 2 2 292.387 -0.311 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](n3ccnn3)C2)CC1 ZINC000514933337 373770666 /nfs/dbraw/zinc/77/06/66/373770666.db2.gz LCOSKUXFEQUYMF-CYBMUJFWSA-N 2 2 292.387 -0.311 20 0 CBADLP C[C@H](O)C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000514796947 373765212 /nfs/dbraw/zinc/76/52/12/373765212.db2.gz PAMROIZRCRKEMK-OLZOCXBDSA-N 2 2 269.389 -0.147 20 0 CBADLP C[C@H](O)C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC000514796947 373765218 /nfs/dbraw/zinc/76/52/18/373765218.db2.gz PAMROIZRCRKEMK-OLZOCXBDSA-N 2 2 269.389 -0.147 20 0 CBADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](CCOCC(F)(F)F)CCN2C1=O ZINC000515071606 373776662 /nfs/dbraw/zinc/77/66/62/373776662.db2.gz BBSCOHBDIZVHLJ-RKDXNWHRSA-N 2 2 281.278 -0.191 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000516177959 373805020 /nfs/dbraw/zinc/80/50/20/373805020.db2.gz FIORTYCYBJOLMS-TZMCWYRMSA-N 2 2 267.373 -0.223 20 0 CBADLP Cn1nccc1COCC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000519771740 373823026 /nfs/dbraw/zinc/82/30/26/373823026.db2.gz NUWMEMXAPHDYHA-LBPRGKRZSA-N 2 2 281.360 -0.962 20 0 CBADLP Cn1nccc1COCC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000519771740 373823037 /nfs/dbraw/zinc/82/30/37/373823037.db2.gz NUWMEMXAPHDYHA-LBPRGKRZSA-N 2 2 281.360 -0.962 20 0 CBADLP COc1c(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c(C)nn1C ZINC000520839487 373835525 /nfs/dbraw/zinc/83/55/25/373835525.db2.gz GUSZHVMCRTUWAS-JQWIXIFHSA-N 2 2 293.371 -0.519 20 0 CBADLP COc1c(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c(C)nn1C ZINC000520839487 373835532 /nfs/dbraw/zinc/83/55/32/373835532.db2.gz GUSZHVMCRTUWAS-JQWIXIFHSA-N 2 2 293.371 -0.519 20 0 CBADLP CN1CC[N@H+](C)[C@@H](CNC(=O)N[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000524466079 373885815 /nfs/dbraw/zinc/88/58/15/373885815.db2.gz NXOOOGUSRZDAPK-OCCSQVGLSA-N 2 2 295.431 -0.232 20 0 CBADLP CN1CC[N@@H+](C)[C@@H](CNC(=O)N[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000524466079 373885819 /nfs/dbraw/zinc/88/58/19/373885819.db2.gz NXOOOGUSRZDAPK-OCCSQVGLSA-N 2 2 295.431 -0.232 20 0 CBADLP CN1CC[NH+](C)[C@@H](CNC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000524466079 373885824 /nfs/dbraw/zinc/88/58/24/373885824.db2.gz NXOOOGUSRZDAPK-OCCSQVGLSA-N 2 2 295.431 -0.232 20 0 CBADLP CN1CC[NH+](C)[C@@H](CNC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000524466079 373885826 /nfs/dbraw/zinc/88/58/26/373885826.db2.gz NXOOOGUSRZDAPK-OCCSQVGLSA-N 2 2 295.431 -0.232 20 0 CBADLP CN1CC[N@H+](C)[C@@H](CNC(=O)NCC[NH+]2CC=CCC2)C1 ZINC000525990027 373893047 /nfs/dbraw/zinc/89/30/47/373893047.db2.gz GJKQPPGJQWIMCN-AWEZNQCLSA-N 2 2 295.431 -0.207 20 0 CBADLP CN1CC[NH+](C)[C@@H](CNC(=O)NCC[N@H+]2CC=CCC2)C1 ZINC000525990027 373893064 /nfs/dbraw/zinc/89/30/64/373893064.db2.gz GJKQPPGJQWIMCN-AWEZNQCLSA-N 2 2 295.431 -0.207 20 0 CBADLP CN1CC[NH+](C)[C@@H](CNC(=O)NCC[N@@H+]2CC=CCC2)C1 ZINC000525990027 373893070 /nfs/dbraw/zinc/89/30/70/373893070.db2.gz GJKQPPGJQWIMCN-AWEZNQCLSA-N 2 2 295.431 -0.207 20 0 CBADLP C[C@H](O)C[N@@H+]1CCN(C(=O)Cc2c[nH+]cn2C)[C@@H](C)C1 ZINC000527003524 373899840 /nfs/dbraw/zinc/89/98/40/373899840.db2.gz DFSGLDKDHMYGEG-RYUDHWBXSA-N 2 2 280.372 -0.124 20 0 CBADLP C[C@H](O)C[N@H+]1CCN(C(=O)Cc2c[nH+]cn2C)[C@@H](C)C1 ZINC000527003524 373899848 /nfs/dbraw/zinc/89/98/48/373899848.db2.gz DFSGLDKDHMYGEG-RYUDHWBXSA-N 2 2 280.372 -0.124 20 0 CBADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000521627281 373846963 /nfs/dbraw/zinc/84/69/63/373846963.db2.gz RBJSAMSENZCPPT-TXEJJXNPSA-N 2 2 282.388 -0.606 20 0 CBADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000521627281 373846972 /nfs/dbraw/zinc/84/69/72/373846972.db2.gz RBJSAMSENZCPPT-TXEJJXNPSA-N 2 2 282.388 -0.606 20 0 CBADLP C[N@@H+]1CCN(C(=O)NC[C@@]2(C)CCC[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000521986468 373853848 /nfs/dbraw/zinc/85/38/48/373853848.db2.gz HFWGIHKHBYPKQO-JSGCOSHPSA-N 3 2 283.420 -0.340 20 0 CBADLP C[N@H+]1CCN(C(=O)NC[C@@]2(C)CCC[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000521986468 373853852 /nfs/dbraw/zinc/85/38/52/373853852.db2.gz HFWGIHKHBYPKQO-JSGCOSHPSA-N 3 2 283.420 -0.340 20 0 CBADLP CN1CC[N@H+](C)[C@H](CNC(=O)NC[C@@H]2CCC[NH+](C)C2)C1 ZINC000522102671 373860443 /nfs/dbraw/zinc/86/04/43/373860443.db2.gz RJPGIHHWAWBYHK-UONOGXRCSA-N 2 2 297.447 -0.127 20 0 CBADLP CN1CC[N@@H+](C)[C@H](CNC(=O)NC[C@@H]2CCC[NH+](C)C2)C1 ZINC000522102671 373860452 /nfs/dbraw/zinc/86/04/52/373860452.db2.gz RJPGIHHWAWBYHK-UONOGXRCSA-N 2 2 297.447 -0.127 20 0 CBADLP CN1CC[NH+](C)[C@H](CNC(=O)NC[C@@H]2CCC[N@H+](C)C2)C1 ZINC000522102671 373860461 /nfs/dbraw/zinc/86/04/61/373860461.db2.gz RJPGIHHWAWBYHK-UONOGXRCSA-N 2 2 297.447 -0.127 20 0 CBADLP CN1CC[NH+](C)[C@H](CNC(=O)NC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000522102671 373860467 /nfs/dbraw/zinc/86/04/67/373860467.db2.gz RJPGIHHWAWBYHK-UONOGXRCSA-N 2 2 297.447 -0.127 20 0 CBADLP C[C@H](C(=O)NCCC(=O)N1CC[NH+](C)CC1)[NH+]1CC(C)C1 ZINC000574462254 335021911 /nfs/dbraw/zinc/02/19/11/335021911.db2.gz DQZKXRKHMJHROX-CYBMUJFWSA-N 2 2 296.415 -0.393 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[NH+](CCO)C(C)(C)C2)O1 ZINC000527549509 373918870 /nfs/dbraw/zinc/91/88/70/373918870.db2.gz OATSCJANFFHUEX-CHWSQXEVSA-N 2 2 299.415 -0.379 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[NH+](CCO)C(C)(C)C2)O1 ZINC000527549509 373918875 /nfs/dbraw/zinc/91/88/75/373918875.db2.gz OATSCJANFFHUEX-CHWSQXEVSA-N 2 2 299.415 -0.379 20 0 CBADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[N@H+](CCO)C(C)(C)C2)O1 ZINC000527549509 373918880 /nfs/dbraw/zinc/91/88/80/373918880.db2.gz OATSCJANFFHUEX-CHWSQXEVSA-N 2 2 299.415 -0.379 20 0 CBADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)O1 ZINC000527549509 373918885 /nfs/dbraw/zinc/91/88/85/373918885.db2.gz OATSCJANFFHUEX-CHWSQXEVSA-N 2 2 299.415 -0.379 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000529282381 373997803 /nfs/dbraw/zinc/99/78/03/373997803.db2.gz FLGVEIAUFKTIMY-ZDUSSCGKSA-N 2 2 277.372 -0.302 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000529282381 373997809 /nfs/dbraw/zinc/99/78/09/373997809.db2.gz FLGVEIAUFKTIMY-ZDUSSCGKSA-N 2 2 277.372 -0.302 20 0 CBADLP O=C(NC[C@@H]1COCC[NH2+]1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000529326059 374001294 /nfs/dbraw/zinc/00/12/94/374001294.db2.gz KJAIBWFYOPTSKX-VHSXEESVSA-N 2 2 279.344 -0.445 20 0 CBADLP O=C(NC[C@@H]1COCC[NH2+]1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000529326059 374001303 /nfs/dbraw/zinc/00/13/03/374001303.db2.gz KJAIBWFYOPTSKX-VHSXEESVSA-N 2 2 279.344 -0.445 20 0 CBADLP CCn1nncc1CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000529346561 374008395 /nfs/dbraw/zinc/00/83/95/374008395.db2.gz YWGWXYQJPVYOFI-JTQLQIEISA-N 2 2 281.364 -0.918 20 0 CBADLP CCn1nncc1CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000529346561 374008402 /nfs/dbraw/zinc/00/84/02/374008402.db2.gz YWGWXYQJPVYOFI-JTQLQIEISA-N 2 2 281.364 -0.918 20 0 CBADLP Cc1cc(NC(=O)NC[C@H]2COCC[NH2+]2)cc[nH+]1 ZINC000528684483 373975163 /nfs/dbraw/zinc/97/51/63/373975163.db2.gz GQQADSMCGASRRV-NSHDSACASA-N 2 2 250.302 -0.078 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000528700335 373977525 /nfs/dbraw/zinc/97/75/25/373977525.db2.gz KGEOGGYZLUNRNR-UHFFFAOYSA-N 2 2 293.371 -0.400 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000529074816 373992558 /nfs/dbraw/zinc/99/25/58/373992558.db2.gz XCDCQUKHYUWLSY-LBPRGKRZSA-N 2 2 266.345 -0.283 20 0 CBADLP CCOCC[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000530222855 374066438 /nfs/dbraw/zinc/06/64/38/374066438.db2.gz LUHORQZEZJGFFP-UHFFFAOYSA-N 2 2 270.377 -0.334 20 0 CBADLP C[C@]1(C[NH+]2CCN(C(=O)N3CC[NH2+]CC3)CC2)CC[NH2+]C1 ZINC000530243466 374069826 /nfs/dbraw/zinc/06/98/26/374069826.db2.gz RCLQLXXAOILNKL-HNNXBMFYSA-N 3 2 295.431 -0.371 20 0 CBADLP O=C(NCC[NH+]1CCOCC1)NCC[N@H+]1CC=CCC1 ZINC000530526684 374085336 /nfs/dbraw/zinc/08/53/36/374085336.db2.gz LCHLBWMBJIEKNK-UHFFFAOYSA-N 2 2 282.388 -0.120 20 0 CBADLP O=C(NCC[NH+]1CCOCC1)NCC[N@@H+]1CC=CCC1 ZINC000530526684 374085339 /nfs/dbraw/zinc/08/53/39/374085339.db2.gz LCHLBWMBJIEKNK-UHFFFAOYSA-N 2 2 282.388 -0.120 20 0 CBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC000530958100 374108869 /nfs/dbraw/zinc/10/88/69/374108869.db2.gz OEFGOQCDMYJJQF-QWHCGFSZSA-N 2 2 285.388 -0.910 20 0 CBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000530958100 374108876 /nfs/dbraw/zinc/10/88/76/374108876.db2.gz OEFGOQCDMYJJQF-QWHCGFSZSA-N 2 2 285.388 -0.910 20 0 CBADLP C[C@@H](CC[N@H+](C)[C@@H]1COC[C@H]1O)[NH+](C)[C@@H]1COC[C@H]1O ZINC000552006524 374256092 /nfs/dbraw/zinc/25/60/92/374256092.db2.gz JMDDOGKAGYNWMB-RYMFRWLXSA-N 2 2 288.388 -0.852 20 0 CBADLP C[C@@H](CC[N@@H+](C)[C@@H]1COC[C@H]1O)[NH+](C)[C@@H]1COC[C@H]1O ZINC000552006524 374256101 /nfs/dbraw/zinc/25/61/01/374256101.db2.gz JMDDOGKAGYNWMB-RYMFRWLXSA-N 2 2 288.388 -0.852 20 0 CBADLP C[C@@H](CC[NH+](C)[C@@H]1COC[C@H]1O)[N@H+](C)[C@@H]1COC[C@H]1O ZINC000552006524 374256110 /nfs/dbraw/zinc/25/61/10/374256110.db2.gz JMDDOGKAGYNWMB-RYMFRWLXSA-N 2 2 288.388 -0.852 20 0 CBADLP C[C@@H](CC[NH+](C)[C@@H]1COC[C@H]1O)[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000552006524 374256116 /nfs/dbraw/zinc/25/61/16/374256116.db2.gz JMDDOGKAGYNWMB-RYMFRWLXSA-N 2 2 288.388 -0.852 20 0 CBADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CC[NH2+][C@@H]2C)CC1 ZINC000566739052 374332521 /nfs/dbraw/zinc/33/25/21/374332521.db2.gz KPFPCWPVMVGGOD-OLZOCXBDSA-N 2 2 296.415 -0.345 20 0 CBADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CC[NH2+][C@@H]2C)CC1 ZINC000566739052 374332529 /nfs/dbraw/zinc/33/25/29/374332529.db2.gz KPFPCWPVMVGGOD-OLZOCXBDSA-N 2 2 296.415 -0.345 20 0 CBADLP C[C@H](C(=O)NCC[C@@H]1CC[NH2+]C1)[NH+]1CCN(C)CC1 ZINC000577850997 374340562 /nfs/dbraw/zinc/34/05/62/374340562.db2.gz WVIVUBKBPDUUMM-OLZOCXBDSA-N 2 2 268.405 -0.262 20 0 CBADLP C[N@@H+]1CCN(C(=O)NCCOCC2CC2)[C@H](C[NH3+])C1 ZINC000577942124 374345878 /nfs/dbraw/zinc/34/58/78/374345878.db2.gz VEEVXAHSQCIAKJ-GFCCVEGCSA-N 2 2 270.377 -0.303 20 0 CBADLP C[N@H+]1CCN(C(=O)NCCOCC2CC2)[C@H](C[NH3+])C1 ZINC000577942124 374345887 /nfs/dbraw/zinc/34/58/87/374345887.db2.gz VEEVXAHSQCIAKJ-GFCCVEGCSA-N 2 2 270.377 -0.303 20 0 CBADLP CS(=O)(=O)NCC[NH2+][C@@H]1CCC[C@@H]1[N@@H+]1CC[C@@H](O)C1 ZINC000643962076 374463784 /nfs/dbraw/zinc/46/37/84/374463784.db2.gz MUQLMACOPVVJTB-UTUOFQBUSA-N 2 2 291.417 -0.887 20 0 CBADLP CS(=O)(=O)NCC[NH2+][C@@H]1CCC[C@@H]1[N@H+]1CC[C@@H](O)C1 ZINC000643962076 374463792 /nfs/dbraw/zinc/46/37/92/374463792.db2.gz MUQLMACOPVVJTB-UTUOFQBUSA-N 2 2 291.417 -0.887 20 0 CBADLP CNC(=O)CC[NH2+][C@@H]1CCC[C@@H]1[N@@H+]1CC[C@@H](O)C1 ZINC000643962817 374463891 /nfs/dbraw/zinc/46/38/91/374463891.db2.gz FHTAUODMSIXAFP-UTUOFQBUSA-N 2 2 255.362 -0.300 20 0 CBADLP CNC(=O)CC[NH2+][C@@H]1CCC[C@@H]1[N@H+]1CC[C@@H](O)C1 ZINC000643962817 374463893 /nfs/dbraw/zinc/46/38/93/374463893.db2.gz FHTAUODMSIXAFP-UTUOFQBUSA-N 2 2 255.362 -0.300 20 0 CBADLP CC[C@@H]([NH3+])C(=O)N1CC[N@H+](CCC(=O)OC)[C@@H](C)C1 ZINC000574520688 335026407 /nfs/dbraw/zinc/02/64/07/335026407.db2.gz JZBWLKXKIIIQTO-WDEREUQCSA-N 2 2 271.361 -0.181 20 0 CBADLP CC[C@@H]([NH3+])C(=O)N1CC[N@@H+](CCC(=O)OC)[C@@H](C)C1 ZINC000574520688 335026408 /nfs/dbraw/zinc/02/64/08/335026408.db2.gz JZBWLKXKIIIQTO-WDEREUQCSA-N 2 2 271.361 -0.181 20 0 CBADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]Cc2ccnn2C)C[C@@H](C)O1 ZINC000644519075 374589212 /nfs/dbraw/zinc/58/92/12/374589212.db2.gz OVTYUYKRQVTLOK-BZPMIXESSA-N 2 2 282.388 -0.020 20 0 CBADLP CCOCC[C@H](O)C[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000644559322 374594196 /nfs/dbraw/zinc/59/41/96/374594196.db2.gz GLVILDOIZABCTB-STQMWFEESA-N 2 2 259.394 -0.391 20 0 CBADLP CCOCC[C@H](O)C[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000644559322 374594204 /nfs/dbraw/zinc/59/42/04/374594204.db2.gz GLVILDOIZABCTB-STQMWFEESA-N 2 2 259.394 -0.391 20 0 CBADLP COCC[N@@H+]1CC[C@@H](NC(=O)[C@H]([NH3+])c2cscn2)C1 ZINC000645951630 374716780 /nfs/dbraw/zinc/71/67/80/374716780.db2.gz MGFWORVZOSBGPQ-MWLCHTKSSA-N 2 2 284.385 -0.020 20 0 CBADLP COCC[N@H+]1CC[C@@H](NC(=O)[C@H]([NH3+])c2cscn2)C1 ZINC000645951630 374716786 /nfs/dbraw/zinc/71/67/86/374716786.db2.gz MGFWORVZOSBGPQ-MWLCHTKSSA-N 2 2 284.385 -0.020 20 0 CBADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H]1CC[NH2+][C@H]1C ZINC000645947221 374717094 /nfs/dbraw/zinc/71/70/94/374717094.db2.gz FAPZTPBCABNLAV-AGIUHOORSA-N 2 2 268.405 -0.264 20 0 CBADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000645947222 374717635 /nfs/dbraw/zinc/71/76/35/374717635.db2.gz FAPZTPBCABNLAV-FRRDWIJNSA-N 2 2 268.405 -0.264 20 0 CBADLP C[NH+]1CCC2(CC1)C[N@@H+]([C@H]1CCNC1=O)CCO2 ZINC000646104452 374740480 /nfs/dbraw/zinc/74/04/80/374740480.db2.gz DIVWWYBIFGUKKC-NSHDSACASA-N 2 2 253.346 -0.329 20 0 CBADLP C[NH+]1CCC2(CC1)C[N@H+]([C@H]1CCNC1=O)CCO2 ZINC000646104452 374740482 /nfs/dbraw/zinc/74/04/82/374740482.db2.gz DIVWWYBIFGUKKC-NSHDSACASA-N 2 2 253.346 -0.329 20 0 CBADLP C[N@@H+]1CCN(C(=O)CCn2ccccc2=O)[C@H](C[NH3+])C1 ZINC000646836306 374823598 /nfs/dbraw/zinc/82/35/98/374823598.db2.gz MPRICEYOGXJPBR-GFCCVEGCSA-N 2 2 278.356 -0.660 20 0 CBADLP C[N@H+]1CCN(C(=O)CCn2ccccc2=O)[C@H](C[NH3+])C1 ZINC000646836306 374823604 /nfs/dbraw/zinc/82/36/04/374823604.db2.gz MPRICEYOGXJPBR-GFCCVEGCSA-N 2 2 278.356 -0.660 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)CC(C)(C)[NH3+])CC1 ZINC000646408885 374776207 /nfs/dbraw/zinc/77/62/07/374776207.db2.gz QGSSQBTVSDBWEQ-UHFFFAOYSA-N 2 2 270.377 -0.606 20 0 CBADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CO1 ZINC000647185278 374892009 /nfs/dbraw/zinc/89/20/09/374892009.db2.gz WQZLMTHMBRUGMH-RDBSUJKOSA-N 2 2 297.399 -0.314 20 0 CBADLP C[N@@H+]1C[C@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@H]2C1 ZINC000646925952 374841839 /nfs/dbraw/zinc/84/18/39/374841839.db2.gz XILDOHMBXPJVHG-WOPDTQHZSA-N 2 2 253.346 -0.521 20 0 CBADLP C[N@H+]1C[C@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@H]2C1 ZINC000646925952 374841840 /nfs/dbraw/zinc/84/18/40/374841840.db2.gz XILDOHMBXPJVHG-WOPDTQHZSA-N 2 2 253.346 -0.521 20 0 CBADLP C[NH+]1C[C@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)[C@H]2C1 ZINC000646925952 374841843 /nfs/dbraw/zinc/84/18/43/374841843.db2.gz XILDOHMBXPJVHG-WOPDTQHZSA-N 2 2 253.346 -0.521 20 0 CBADLP C[NH+]1C[C@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)[C@H]2C1 ZINC000646925952 374841844 /nfs/dbraw/zinc/84/18/44/374841844.db2.gz XILDOHMBXPJVHG-WOPDTQHZSA-N 2 2 253.346 -0.521 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CCC(C)([NH3+])CC1 ZINC000646992983 374857320 /nfs/dbraw/zinc/85/73/20/374857320.db2.gz CJVVPFJKSHQUQE-UHFFFAOYSA-N 2 2 284.404 -0.217 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CCC(C)([NH3+])CC1 ZINC000646992983 374857322 /nfs/dbraw/zinc/85/73/22/374857322.db2.gz CJVVPFJKSHQUQE-UHFFFAOYSA-N 2 2 284.404 -0.217 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)Cn1cc[nH+]c1 ZINC000574615505 335033995 /nfs/dbraw/zinc/03/39/95/335033995.db2.gz CYCKYAWJVORHHE-LLVKDONJSA-N 2 2 252.318 -0.280 20 0 CBADLP CNS(=O)(=O)[C@@H]1CCC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000574637585 335035996 /nfs/dbraw/zinc/03/59/96/335035996.db2.gz FFWORWLQNZBDTL-NWDGAFQWSA-N 2 2 275.418 0.000 20 0 CBADLP CNS(=O)(=O)[C@@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000574637585 335035997 /nfs/dbraw/zinc/03/59/97/335035997.db2.gz FFWORWLQNZBDTL-NWDGAFQWSA-N 2 2 275.418 0.000 20 0 CBADLP Cc1cccc2[nH+]c(CNC(=O)[C@H]3C[C@H](O)C[NH2+]3)cn21 ZINC000262361423 190054170 /nfs/dbraw/zinc/05/41/70/190054170.db2.gz IRGMBPWMDJZPBZ-NWDGAFQWSA-N 2 2 274.324 -0.018 20 0 CBADLP O=C(NCC[N@@H+]1CCc2sccc2C1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000262361274 190054310 /nfs/dbraw/zinc/05/43/10/190054310.db2.gz IPJYTUPHMSWWKQ-RYUDHWBXSA-N 2 2 295.408 -0.055 20 0 CBADLP O=C(NCC[N@H+]1CCc2sccc2C1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000262361274 190054311 /nfs/dbraw/zinc/05/43/11/190054311.db2.gz IPJYTUPHMSWWKQ-RYUDHWBXSA-N 2 2 295.408 -0.055 20 0 CBADLP C[NH+](C)CC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000264282805 190101573 /nfs/dbraw/zinc/10/15/73/190101573.db2.gz ISPYEOMCWFPHDW-UHFFFAOYSA-N 2 2 281.360 -0.285 20 0 CBADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCNC(=O)c1ccn[nH]1 ZINC000355765629 248185832 /nfs/dbraw/zinc/18/58/32/248185832.db2.gz KBJTZHBSNULKEL-GXSJLCMTSA-N 2 2 251.334 -0.321 20 0 CBADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCNC(=O)c1ccn[nH]1 ZINC000355765629 248185838 /nfs/dbraw/zinc/18/58/38/248185838.db2.gz KBJTZHBSNULKEL-GXSJLCMTSA-N 2 2 251.334 -0.321 20 0 CBADLP C[C@@H]1[C@@H](C)[N@H+](C)CCN1C[C@@H](O)C[NH+]1CCOCC1 ZINC000356978253 248306354 /nfs/dbraw/zinc/30/63/54/248306354.db2.gz CTDUKJFGNACYDI-MCIONIFRSA-N 2 2 271.405 -0.296 20 0 CBADLP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C[C@@H](O)C[NH+]1CCOCC1 ZINC000356978253 248306358 /nfs/dbraw/zinc/30/63/58/248306358.db2.gz CTDUKJFGNACYDI-MCIONIFRSA-N 2 2 271.405 -0.296 20 0 CBADLP [NH3+]CCOCC[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000357087050 248318465 /nfs/dbraw/zinc/31/84/65/248318465.db2.gz VRJUBZOZIKYUKO-UHFFFAOYSA-N 3 2 253.350 -0.497 20 0 CBADLP Cn1cc([C@]2(C)C[N@H+](CCOCC[NH3+])CCO2)cn1 ZINC000357088538 248318595 /nfs/dbraw/zinc/31/85/95/248318595.db2.gz XRXIAIMNAQZTRP-ZDUSSCGKSA-N 2 2 268.361 -0.057 20 0 CBADLP Cn1cc([C@]2(C)C[N@@H+](CCOCC[NH3+])CCO2)cn1 ZINC000357088538 248318601 /nfs/dbraw/zinc/31/86/01/248318601.db2.gz XRXIAIMNAQZTRP-ZDUSSCGKSA-N 2 2 268.361 -0.057 20 0 CBADLP Cn1cc([C@H]2C[N@H+](CCOCC[NH3+])CCO2)cn1 ZINC000357075514 248319196 /nfs/dbraw/zinc/31/91/96/248319196.db2.gz NMPJHISYJZSTOW-GFCCVEGCSA-N 2 2 254.334 -0.231 20 0 CBADLP Cn1cc([C@H]2C[N@@H+](CCOCC[NH3+])CCO2)cn1 ZINC000357075514 248319200 /nfs/dbraw/zinc/31/92/00/248319200.db2.gz NMPJHISYJZSTOW-GFCCVEGCSA-N 2 2 254.334 -0.231 20 0 CBADLP [NH3+]C1CC[NH+](CCCC(=O)N2CC[NH+](CCO)CC2)CC1 ZINC000357226346 248334380 /nfs/dbraw/zinc/33/43/80/248334380.db2.gz PEQRCWVTWFDDMJ-UHFFFAOYSA-N 3 2 298.431 -0.674 20 0 CBADLP C[NH+]1CCN(C(=O)CN2CC[NH+](C3CCC3)CC2)CC1 ZINC000357329283 248349196 /nfs/dbraw/zinc/34/91/96/248349196.db2.gz CNTPDPBEGKMKJK-UHFFFAOYSA-N 2 2 280.416 -0.070 20 0 CBADLP C[C@@H](C(=O)N1CC[NH2+]C(C)(C)C1)[NH+]1CCOCC1 ZINC000357354883 248353797 /nfs/dbraw/zinc/35/37/97/248353797.db2.gz ZQQLEPJJRLPOJB-NSHDSACASA-N 2 2 255.362 -0.083 20 0 CBADLP C[C@H](C(=O)N1CC[NH2+]C(C)(C)C1)[NH+]1CCOCC1 ZINC000357354881 248354693 /nfs/dbraw/zinc/35/46/93/248354693.db2.gz ZQQLEPJJRLPOJB-LLVKDONJSA-N 2 2 255.362 -0.083 20 0 CBADLP CCNC(=O)CC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000357347831 248354766 /nfs/dbraw/zinc/35/47/66/248354766.db2.gz AVCSXRXCFRBMEA-UHFFFAOYSA-N 2 2 298.431 -0.003 20 0 CBADLP CCNC(=O)CC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000357347831 248354771 /nfs/dbraw/zinc/35/47/71/248354771.db2.gz AVCSXRXCFRBMEA-UHFFFAOYSA-N 2 2 298.431 -0.003 20 0 CBADLP C[N@@H+](CC(=O)NC1CC1)C1CC[NH+](CCO)CC1 ZINC000357651522 248386432 /nfs/dbraw/zinc/38/64/32/248386432.db2.gz TXDWGXNPCVEOHD-UHFFFAOYSA-N 2 2 255.362 -0.347 20 0 CBADLP O=C(C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)NC(=O)NCC(F)(F)F ZINC000359312542 248568123 /nfs/dbraw/zinc/56/81/23/248568123.db2.gz VCIBKBKFOTUPSR-HTQZYQBOSA-N 2 2 294.277 -0.474 20 0 CBADLP NC(=O)NC(=O)C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000363413546 295074865 /nfs/dbraw/zinc/07/48/65/295074865.db2.gz DQVDXUDCSDSRDT-VWYCJHECSA-N 2 2 266.345 -0.403 20 0 CBADLP NC(=O)NC(=O)C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000363413546 295074861 /nfs/dbraw/zinc/07/48/61/295074861.db2.gz DQVDXUDCSDSRDT-VWYCJHECSA-N 2 2 266.345 -0.403 20 0 CBADLP NC(=O)NC(=O)C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000363413546 295074866 /nfs/dbraw/zinc/07/48/66/295074866.db2.gz DQVDXUDCSDSRDT-VWYCJHECSA-N 2 2 266.345 -0.403 20 0 CBADLP NC(=O)NC(=O)C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000363413546 295074869 /nfs/dbraw/zinc/07/48/69/295074869.db2.gz DQVDXUDCSDSRDT-VWYCJHECSA-N 2 2 266.345 -0.403 20 0 CBADLP O=C(NCC[NH+]1CCOCC1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000369819972 248784439 /nfs/dbraw/zinc/78/44/39/248784439.db2.gz RVKAFXHBWMDPRS-YPMHNXCESA-N 2 2 253.346 -0.566 20 0 CBADLP [NH3+]C[C@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)CCO1 ZINC000653130539 412885019 /nfs/dbraw/zinc/88/50/19/412885019.db2.gz RJUXQEFFKLXJCW-LBPRGKRZSA-N 2 2 278.356 -0.052 20 0 CBADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)CC(F)(F)C[NH3+] ZINC000653125445 412885259 /nfs/dbraw/zinc/88/52/59/412885259.db2.gz ZXHWWHQBHCPGTJ-VIFPVBQESA-N 2 2 264.320 -0.668 20 0 CBADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)CC(F)(F)C[NH3+] ZINC000653125445 412885261 /nfs/dbraw/zinc/88/52/61/412885261.db2.gz ZXHWWHQBHCPGTJ-VIFPVBQESA-N 2 2 264.320 -0.668 20 0 CBADLP CN1CC[N@H+](C)[C@@H](CNC(=O)CC(F)(F)C[NH3+])C1 ZINC000653125445 412885264 /nfs/dbraw/zinc/88/52/64/412885264.db2.gz ZXHWWHQBHCPGTJ-VIFPVBQESA-N 2 2 264.320 -0.668 20 0 CBADLP CN1CC[N@@H+](C)[C@@H](CNC(=O)CC(F)(F)C[NH3+])C1 ZINC000653125445 412885266 /nfs/dbraw/zinc/88/52/66/412885266.db2.gz ZXHWWHQBHCPGTJ-VIFPVBQESA-N 2 2 264.320 -0.668 20 0 CBADLP O=C(CN1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1)NC1CC1 ZINC000346839718 218031653 /nfs/dbraw/zinc/03/16/53/218031653.db2.gz SNRGTTNBEQLICX-CYBMUJFWSA-N 2 2 280.416 -0.118 20 0 CBADLP O=C(C[NH+]1CCN(C[C@@H]2CCC[NH2+]C2)CC1)NC1CC1 ZINC000346839718 218031655 /nfs/dbraw/zinc/03/16/55/218031655.db2.gz SNRGTTNBEQLICX-CYBMUJFWSA-N 2 2 280.416 -0.118 20 0 CBADLP CC(C)([NH3+])CN1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000346844005 218034621 /nfs/dbraw/zinc/03/46/21/218034621.db2.gz YMOGWOLFJGYAPQ-UHFFFAOYSA-N 2 2 254.378 -0.380 20 0 CBADLP CC(=O)NC[C@@H]1C[N@H+](C[C@H]2CCC[NH2+]C2)CCO1 ZINC000347005337 218089647 /nfs/dbraw/zinc/08/96/47/218089647.db2.gz OTJSGJIZLMDDMM-QWHCGFSZSA-N 2 2 255.362 -0.177 20 0 CBADLP CC(=O)NC[C@@H]1C[N@@H+](C[C@H]2CCC[NH2+]C2)CCO1 ZINC000347005337 218089650 /nfs/dbraw/zinc/08/96/50/218089650.db2.gz OTJSGJIZLMDDMM-QWHCGFSZSA-N 2 2 255.362 -0.177 20 0 CBADLP Cn1cc[nH+]c1N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000266493554 190261256 /nfs/dbraw/zinc/26/12/56/190261256.db2.gz TVUYLRPLOXRDJN-UHFFFAOYSA-N 2 2 251.334 -0.370 20 0 CBADLP C[NH+](C)CCN1C[C@H](C(=O)NCc2[nH]cc[nH+]2)CC1=O ZINC000266808353 190281549 /nfs/dbraw/zinc/28/15/49/190281549.db2.gz FHJRFEIZRGZHKW-SNVBAGLBSA-N 2 2 279.344 -0.564 20 0 CBADLP C[C@H]1C[NH+]=C(N2CC[NH+](CCC(=O)NC(N)=O)CC2)S1 ZINC000267084663 190301999 /nfs/dbraw/zinc/30/19/99/190301999.db2.gz RTIFSXVYMOSXJY-VIFPVBQESA-N 2 2 299.400 -0.320 20 0 CBADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000347743251 218342484 /nfs/dbraw/zinc/34/24/84/218342484.db2.gz FHLWQKOJXSKBAU-JTQLQIEISA-N 2 2 272.374 -0.414 20 0 CBADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000347743251 218342487 /nfs/dbraw/zinc/34/24/87/218342487.db2.gz FHLWQKOJXSKBAU-JTQLQIEISA-N 2 2 272.374 -0.414 20 0 CBADLP CC[N@H+](CCO)CCNC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000347796436 218358940 /nfs/dbraw/zinc/35/89/40/218358940.db2.gz VTQXRKOPRSPPFU-LBPRGKRZSA-N 2 2 273.377 -0.863 20 0 CBADLP CC[N@@H+](CCO)CCNC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000347796436 218358942 /nfs/dbraw/zinc/35/89/42/218358942.db2.gz VTQXRKOPRSPPFU-LBPRGKRZSA-N 2 2 273.377 -0.863 20 0 CBADLP CNC(=O)[C@H]1C[N@H+](CCc2c[nH+]cn2C)CCO1 ZINC000347781881 218354019 /nfs/dbraw/zinc/35/40/19/218354019.db2.gz LDTAPFMCRFWLDH-LLVKDONJSA-N 2 2 252.318 -0.591 20 0 CBADLP CNC(=O)[C@H]1C[N@@H+](CCc2c[nH+]cn2C)CCO1 ZINC000347781881 218354021 /nfs/dbraw/zinc/35/40/21/218354021.db2.gz LDTAPFMCRFWLDH-LLVKDONJSA-N 2 2 252.318 -0.591 20 0 CBADLP CC[NH+]1CCC([N@H+](C)CCNS(C)(=O)=O)CC1 ZINC000077249015 207361828 /nfs/dbraw/zinc/36/18/28/207361828.db2.gz JPMJEANFJPMAHG-UHFFFAOYSA-N 2 2 263.407 -0.048 20 0 CBADLP CC[NH+]1CCC([N@@H+](C)CCNS(C)(=O)=O)CC1 ZINC000077249015 207361831 /nfs/dbraw/zinc/36/18/31/207361831.db2.gz JPMJEANFJPMAHG-UHFFFAOYSA-N 2 2 263.407 -0.048 20 0 CBADLP CC[N@@H+]1CCC[C@H](NC(=O)CN2CC[NH2+]CC2=O)C1 ZINC000165944218 207398078 /nfs/dbraw/zinc/39/80/78/207398078.db2.gz GASYLAOADOQNPF-NSHDSACASA-N 2 2 268.361 -0.981 20 0 CBADLP CC[N@H+]1CCC[C@H](NC(=O)CN2CC[NH2+]CC2=O)C1 ZINC000165944218 207398082 /nfs/dbraw/zinc/39/80/82/207398082.db2.gz GASYLAOADOQNPF-NSHDSACASA-N 2 2 268.361 -0.981 20 0 CBADLP C[C@@H](CNC(=O)C[C@H]1CCC[NH2+]1)[NH+]1CCN(C)CC1 ZINC000178880808 207426877 /nfs/dbraw/zinc/42/68/77/207426877.db2.gz MAWHPOMWZCIXQT-QWHCGFSZSA-N 2 2 268.405 -0.119 20 0 CBADLP C[C@@H](O)CNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000192537995 207464890 /nfs/dbraw/zinc/46/48/90/207464890.db2.gz HPWFPYHWWWUCHO-LLVKDONJSA-N 2 2 272.393 -0.308 20 0 CBADLP C[C@@H]1CCN(C(=O)NCC[NH+]2CCOCC2)C[C@H]1C[NH3+] ZINC000416443065 207543607 /nfs/dbraw/zinc/54/36/07/207543607.db2.gz GNOSGEKFWMABPB-CHWSQXEVSA-N 2 2 284.404 -0.055 20 0 CBADLP CC(C)[NH+]1CCN(C(=O)C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)CC1 ZINC000423626975 207917641 /nfs/dbraw/zinc/91/76/41/207917641.db2.gz HQTCNVZUDFVHSL-STQMWFEESA-N 2 2 296.415 -0.252 20 0 CBADLP [NH3+]C[C@H]1CC[C@@H](C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)O1 ZINC000424193368 207973450 /nfs/dbraw/zinc/97/34/50/207973450.db2.gz QQVAQMQLQDTAER-AEJSXWLSSA-N 2 2 277.315 -0.146 20 0 CBADLP CC(C)[C@@H](C(=O)N[C@@H](CO)C[NH+]1CCOCC1)[NH+](C)C ZINC000425292610 208015293 /nfs/dbraw/zinc/01/52/93/208015293.db2.gz ZWBDRNVBKHTWLY-OLZOCXBDSA-N 2 2 287.404 -0.618 20 0 CBADLP CN(C)c1[nH+]cc(C[NH2+]CCNC(=O)c2ccn[nH]2)n1C ZINC000425362144 208016693 /nfs/dbraw/zinc/01/66/93/208016693.db2.gz USLUJXBNJWOYOM-UHFFFAOYSA-N 2 2 291.359 -0.271 20 0 CBADLP C[C@@H](C(=O)NCC1=CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000427608390 208065488 /nfs/dbraw/zinc/06/54/88/208065488.db2.gz YISQJYNKGPQKSG-NSHDSACASA-N 2 2 253.346 -0.257 20 0 CBADLP CCS(=O)(=O)NCC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428041865 208077044 /nfs/dbraw/zinc/07/70/44/208077044.db2.gz AACCHWSMVJVLCO-WDEREUQCSA-N 2 2 261.391 -0.391 20 0 CBADLP CCS(=O)(=O)NCC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428041865 208077045 /nfs/dbraw/zinc/07/70/45/208077045.db2.gz AACCHWSMVJVLCO-WDEREUQCSA-N 2 2 261.391 -0.391 20 0 CBADLP CCS(=O)(=O)NCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428041864 208078143 /nfs/dbraw/zinc/07/81/43/208078143.db2.gz AACCHWSMVJVLCO-QWRGUYRKSA-N 2 2 261.391 -0.391 20 0 CBADLP CCS(=O)(=O)NCC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428041864 208078149 /nfs/dbraw/zinc/07/81/49/208078149.db2.gz AACCHWSMVJVLCO-QWRGUYRKSA-N 2 2 261.391 -0.391 20 0 CBADLP C[NH2+]C[C@@H]1CCN(C(=O)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000429469983 208123053 /nfs/dbraw/zinc/12/30/53/208123053.db2.gz OTSLAUGSHVLNHS-NEPJUHHUSA-N 2 2 255.362 -0.225 20 0 CBADLP CCN(CC)C(=O)C[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000429674207 208126989 /nfs/dbraw/zinc/12/69/89/208126989.db2.gz CFRDSHSGDILOQD-UHFFFAOYSA-N 2 2 298.431 -0.049 20 0 CBADLP CCN(CC)C(=O)C[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000429674207 208126991 /nfs/dbraw/zinc/12/69/91/208126991.db2.gz CFRDSHSGDILOQD-UHFFFAOYSA-N 2 2 298.431 -0.049 20 0 CBADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)CC(=O)N1CCNC(=O)C1 ZINC000430579524 208164144 /nfs/dbraw/zinc/16/41/44/208164144.db2.gz YLJKFMLIWCTOBY-NSHDSACASA-N 2 2 270.377 -0.750 20 0 CBADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CC(=O)N1CCNC(=O)C1 ZINC000430579524 208164148 /nfs/dbraw/zinc/16/41/48/208164148.db2.gz YLJKFMLIWCTOBY-NSHDSACASA-N 2 2 270.377 -0.750 20 0 CBADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)C1 ZINC000430573704 208164223 /nfs/dbraw/zinc/16/42/23/208164223.db2.gz MOYGWDOPTHIEPY-SRVKXCTJSA-N 2 2 284.404 -0.362 20 0 CBADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)C1 ZINC000430573704 208164228 /nfs/dbraw/zinc/16/42/28/208164228.db2.gz MOYGWDOPTHIEPY-SRVKXCTJSA-N 2 2 284.404 -0.362 20 0 CBADLP COC[C@H](C)NC(=O)NC(=O)C[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000430577613 208164589 /nfs/dbraw/zinc/16/45/89/208164589.db2.gz ZDDQGVQLXBXOIN-ZANVPECISA-N 2 2 286.376 -0.436 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000430547635 208165598 /nfs/dbraw/zinc/16/55/98/208165598.db2.gz FTWCUYDLVICJGY-AWEZNQCLSA-N 2 2 286.420 -0.066 20 0 CBADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)CC(=O)N[C@H](C)C(=O)N(C)C ZINC000430548994 208166009 /nfs/dbraw/zinc/16/60/09/208166009.db2.gz XBSLURGTNIEQHV-NEPJUHHUSA-N 2 2 286.420 -0.116 20 0 CBADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CC(=O)N[C@H](C)C(=O)N(C)C ZINC000430548994 208166012 /nfs/dbraw/zinc/16/60/12/208166012.db2.gz XBSLURGTNIEQHV-NEPJUHHUSA-N 2 2 286.420 -0.116 20 0 CBADLP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[NH+]1CCC([NH3+])CC1 ZINC000430599313 208166490 /nfs/dbraw/zinc/16/64/90/208166490.db2.gz AFHBLEUCRGXSTK-MNOVXSKESA-N 2 2 282.388 -0.478 20 0 CBADLP CCS(=O)(=O)NCC[N@H+](C)CC(C)(C)C[NH3+] ZINC000430593752 208167402 /nfs/dbraw/zinc/16/74/02/208167402.db2.gz UDECIOKSXSYHFR-UHFFFAOYSA-N 2 2 251.396 -0.158 20 0 CBADLP CCS(=O)(=O)NCC[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430593752 208167409 /nfs/dbraw/zinc/16/74/09/208167409.db2.gz UDECIOKSXSYHFR-UHFFFAOYSA-N 2 2 251.396 -0.158 20 0 CBADLP CC1(C)NC(=O)N(CCC[N@@H+]2CC[C@H]([NH3+])C2)C1=O ZINC000430621078 208168006 /nfs/dbraw/zinc/16/80/06/208168006.db2.gz CYSYVZUAFAWJFR-VIFPVBQESA-N 2 2 254.334 -0.260 20 0 CBADLP CC1(C)NC(=O)N(CCC[N@H+]2CC[C@H]([NH3+])C2)C1=O ZINC000430621078 208168013 /nfs/dbraw/zinc/16/80/13/208168013.db2.gz CYSYVZUAFAWJFR-VIFPVBQESA-N 2 2 254.334 -0.260 20 0 CBADLP Cn1ncnc1C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430647081 208168035 /nfs/dbraw/zinc/16/80/35/208168035.db2.gz XJKZVHMUDPZLNT-LBPRGKRZSA-N 2 2 292.387 -0.541 20 0 CBADLP Cn1ncnc1C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430647081 208168040 /nfs/dbraw/zinc/16/80/40/208168040.db2.gz XJKZVHMUDPZLNT-LBPRGKRZSA-N 2 2 292.387 -0.541 20 0 CBADLP COC[C@@H](C)NC(=O)NC(=O)C[NH+]1CCC([NH3+])CC1 ZINC000430669156 208172955 /nfs/dbraw/zinc/17/29/55/208172955.db2.gz SNWGYGNQWPFSCD-SECBINFHSA-N 2 2 272.349 -0.730 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000430676844 208173316 /nfs/dbraw/zinc/17/33/16/208173316.db2.gz FDZCVMFLVNOCKR-RYUDHWBXSA-N 2 2 280.372 -0.839 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000430676844 208173320 /nfs/dbraw/zinc/17/33/20/208173320.db2.gz FDZCVMFLVNOCKR-RYUDHWBXSA-N 2 2 280.372 -0.839 20 0 CBADLP C[C@H](NC(=O)C[NH2+]C[C@H]1CCCO1)[C@H](C)[NH+]1CCOCC1 ZINC000430715064 208176688 /nfs/dbraw/zinc/17/66/88/208176688.db2.gz QYZRYGMBTKEVSR-MELADBBJSA-N 2 2 299.415 -0.020 20 0 CBADLP CC[C@H]1CN(C(=O)[C@H]2CSC[NH2+]2)CC[N@@H+]1C[C@H](C)O ZINC000430742919 208177464 /nfs/dbraw/zinc/17/74/64/208177464.db2.gz QCZJSUJNICKFRI-SDDRHHMPSA-N 2 2 287.429 -0.048 20 0 CBADLP CC[C@H]1CN(C(=O)[C@H]2CSC[NH2+]2)CC[N@H+]1C[C@H](C)O ZINC000430742919 208177471 /nfs/dbraw/zinc/17/74/71/208177471.db2.gz QCZJSUJNICKFRI-SDDRHHMPSA-N 2 2 287.429 -0.048 20 0 CBADLP CN(C)c1ccc(CNC(=O)COC2C[NH2+]C2)c[nH+]1 ZINC000430763080 208177836 /nfs/dbraw/zinc/17/78/36/208177836.db2.gz PGFUQSFOBQSTGZ-UHFFFAOYSA-N 2 2 264.329 -0.248 20 0 CBADLP CN(C)c1[nH+]cccc1CNC(=O)CN1CC[NH2+]CC1=O ZINC000430753290 208178840 /nfs/dbraw/zinc/17/88/40/208178840.db2.gz HXWPYBXYNOMEHC-UHFFFAOYSA-N 2 2 291.355 -0.804 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)C[NH2+]CC2CC2)CC1 ZINC000430738171 208178965 /nfs/dbraw/zinc/17/89/65/208178965.db2.gz DZQYNYARLFWHPF-UHFFFAOYSA-N 2 2 282.388 -0.734 20 0 CBADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000430801320 208180922 /nfs/dbraw/zinc/18/09/22/208180922.db2.gz YYLYJLVWYOLZQR-MNOVXSKESA-N 2 2 282.388 -0.478 20 0 CBADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000430771306 208182170 /nfs/dbraw/zinc/18/21/70/208182170.db2.gz CMNGPRBEZHPWTH-GFCCVEGCSA-N 3 2 268.405 -0.262 20 0 CBADLP C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)CN1CC[NH2+]CC1=O ZINC000430788571 208182324 /nfs/dbraw/zinc/18/23/24/208182324.db2.gz CQZGPDHOVIICBI-QWHCGFSZSA-N 2 2 294.399 -0.497 20 0 CBADLP C[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)CN1CC[NH2+]CC1=O ZINC000430788571 208182332 /nfs/dbraw/zinc/18/23/32/208182332.db2.gz CQZGPDHOVIICBI-QWHCGFSZSA-N 2 2 294.399 -0.497 20 0 CBADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@@]2(C)CC[NH2+]C2)CC1 ZINC000430799542 208182982 /nfs/dbraw/zinc/18/29/82/208182982.db2.gz LTJSDQDBMHZKFP-AWEZNQCLSA-N 2 2 282.388 -0.606 20 0 CBADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)CCC[NH3+])CC1 ZINC000430802746 208185600 /nfs/dbraw/zinc/18/56/00/208185600.db2.gz AKJQFMOFSZOLIZ-UHFFFAOYSA-N 2 2 256.350 -0.867 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000430881146 208186678 /nfs/dbraw/zinc/18/66/78/208186678.db2.gz YOUYDVRFOJBDHT-OLZOCXBDSA-N 2 2 285.388 -0.408 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000430881146 208186683 /nfs/dbraw/zinc/18/66/83/208186683.db2.gz YOUYDVRFOJBDHT-OLZOCXBDSA-N 2 2 285.388 -0.408 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000430881148 208187298 /nfs/dbraw/zinc/18/72/98/208187298.db2.gz YOUYDVRFOJBDHT-STQMWFEESA-N 2 2 285.388 -0.408 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000430881148 208187299 /nfs/dbraw/zinc/18/72/99/208187299.db2.gz YOUYDVRFOJBDHT-STQMWFEESA-N 2 2 285.388 -0.408 20 0 CBADLP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)CN1CC[NH2+]CC1=O ZINC000430892630 208187432 /nfs/dbraw/zinc/18/74/32/208187432.db2.gz AYCOEQGPQXOQKN-STQMWFEESA-N 2 2 296.415 -0.203 20 0 CBADLP COCC[NH2+]CC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000430894269 208188699 /nfs/dbraw/zinc/18/86/99/208188699.db2.gz MBMDGEGYYPKYSC-LLVKDONJSA-N 2 2 259.350 -0.941 20 0 CBADLP COCC[NH2+]CC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000430894269 208188703 /nfs/dbraw/zinc/18/87/03/208188703.db2.gz MBMDGEGYYPKYSC-LLVKDONJSA-N 2 2 259.350 -0.941 20 0 CBADLP CC(C)([NH3+])C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000430871675 208188776 /nfs/dbraw/zinc/18/87/76/208188776.db2.gz DZTPBZRIWZVAKE-UHFFFAOYSA-N 2 2 281.360 -0.109 20 0 CBADLP CC1(C)COCC[N@@H+]1CCNC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000430876427 208188914 /nfs/dbraw/zinc/18/89/14/208188914.db2.gz QYHJUGAMUKUPIS-CYBMUJFWSA-N 2 2 299.415 -0.018 20 0 CBADLP CC1(C)COCC[N@H+]1CCNC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000430876427 208188919 /nfs/dbraw/zinc/18/89/19/208188919.db2.gz QYHJUGAMUKUPIS-CYBMUJFWSA-N 2 2 299.415 -0.018 20 0 CBADLP C[C@H](NC(=O)C[N@@H+]1CC[C@H](C[NH3+])C1)C(=O)N1CCCCC1 ZINC000430923190 208189663 /nfs/dbraw/zinc/18/96/63/208189663.db2.gz DNANNKYAAUWCMM-QWHCGFSZSA-N 2 2 296.415 -0.216 20 0 CBADLP C[C@H](NC(=O)C[N@H+]1CC[C@H](C[NH3+])C1)C(=O)N1CCCCC1 ZINC000430923190 208189667 /nfs/dbraw/zinc/18/96/67/208189667.db2.gz DNANNKYAAUWCMM-QWHCGFSZSA-N 2 2 296.415 -0.216 20 0 CBADLP O=C(NCc1cn2c([nH+]1)CCCC2)[C@H]1COCC[NH2+]1 ZINC000430895862 208190798 /nfs/dbraw/zinc/19/07/98/208190798.db2.gz DLOUNOKXQMQNSO-LLVKDONJSA-N 2 2 264.329 -0.176 20 0 CBADLP CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)C1 ZINC000430918197 208191336 /nfs/dbraw/zinc/19/13/36/208191336.db2.gz GRPUGVGWZBRRFP-YUTCNCBUSA-N 2 2 296.415 -0.217 20 0 CBADLP CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)C1 ZINC000430918197 208191341 /nfs/dbraw/zinc/19/13/41/208191341.db2.gz GRPUGVGWZBRRFP-YUTCNCBUSA-N 2 2 296.415 -0.217 20 0 CBADLP C[NH2+]C1CC[NH+]([C@@H](C)C(=O)N2CCC[C@@H](C(N)=O)C2)CC1 ZINC000430950516 208192425 /nfs/dbraw/zinc/19/24/25/208192425.db2.gz RPJWQXZSEFQWQA-NWDGAFQWSA-N 2 2 296.415 -0.217 20 0 CBADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)NCCCN2CCCC2=O)C1 ZINC000430929087 208192747 /nfs/dbraw/zinc/19/27/47/208192747.db2.gz NTKSSBDQIDOESP-CYBMUJFWSA-N 2 2 296.415 -0.344 20 0 CBADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)NCCCN2CCCC2=O)C1 ZINC000430929087 208192753 /nfs/dbraw/zinc/19/27/53/208192753.db2.gz NTKSSBDQIDOESP-CYBMUJFWSA-N 2 2 296.415 -0.344 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H](C[NH3+])C2)CC1 ZINC000430931356 208192799 /nfs/dbraw/zinc/19/27/99/208192799.db2.gz BOXIJEZNBDNCFE-STQMWFEESA-N 3 2 268.405 -0.180 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H](C[NH3+])C2)CC1 ZINC000430931356 208192806 /nfs/dbraw/zinc/19/28/06/208192806.db2.gz BOXIJEZNBDNCFE-STQMWFEESA-N 3 2 268.405 -0.180 20 0 CBADLP Cc1cc(NC(=O)C[N@@H+]2CC[C@H](C[NH3+])C2)n(C)n1 ZINC000430951804 208193358 /nfs/dbraw/zinc/19/33/58/208193358.db2.gz NKEFKUDVZNZJOV-SNVBAGLBSA-N 2 2 251.334 -0.052 20 0 CBADLP Cc1cc(NC(=O)C[N@H+]2CC[C@H](C[NH3+])C2)n(C)n1 ZINC000430951804 208193362 /nfs/dbraw/zinc/19/33/62/208193362.db2.gz NKEFKUDVZNZJOV-SNVBAGLBSA-N 2 2 251.334 -0.052 20 0 CBADLP COCCCS(=O)(=O)NCC[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430958380 208193526 /nfs/dbraw/zinc/19/35/26/208193526.db2.gz XOFLVJJCVGHCFW-NEPJUHHUSA-N 2 2 293.433 -0.389 20 0 CBADLP COCCCS(=O)(=O)NCC[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430958380 208193530 /nfs/dbraw/zinc/19/35/30/208193530.db2.gz XOFLVJJCVGHCFW-NEPJUHHUSA-N 2 2 293.433 -0.389 20 0 CBADLP COCCCS(=O)(=O)NCC[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000430958383 208193980 /nfs/dbraw/zinc/19/39/80/208193980.db2.gz XOFLVJJCVGHCFW-RYUDHWBXSA-N 2 2 293.433 -0.389 20 0 CBADLP COCCCS(=O)(=O)NCC[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000430958383 208193983 /nfs/dbraw/zinc/19/39/83/208193983.db2.gz XOFLVJJCVGHCFW-RYUDHWBXSA-N 2 2 293.433 -0.389 20 0 CBADLP COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000430968109 208195034 /nfs/dbraw/zinc/19/50/34/208195034.db2.gz WZCFUPVQTUFOJI-VHSXEESVSA-N 2 2 272.349 -0.872 20 0 CBADLP COC[C@H](C)NC(=O)NC(=O)C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430968109 208195037 /nfs/dbraw/zinc/19/50/37/208195037.db2.gz WZCFUPVQTUFOJI-VHSXEESVSA-N 2 2 272.349 -0.872 20 0 CBADLP C[C@H]1C[N@H+](CC(=O)NCC(=O)N2CCCC2)CC[C@@H]1[NH3+] ZINC000430970173 208195393 /nfs/dbraw/zinc/19/53/93/208195393.db2.gz GGJVIORCROAZNF-RYUDHWBXSA-N 2 2 282.388 -0.606 20 0 CBADLP C[C@H]1C[N@@H+](CC(=O)NCC(=O)N2CCCC2)CC[C@@H]1[NH3+] ZINC000430970173 208195396 /nfs/dbraw/zinc/19/53/96/208195396.db2.gz GGJVIORCROAZNF-RYUDHWBXSA-N 2 2 282.388 -0.606 20 0 CBADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000430965946 208196866 /nfs/dbraw/zinc/19/68/66/208196866.db2.gz MCTPCMCNHNAENO-MRVPVSSYSA-N 2 2 296.293 -0.084 20 0 CBADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000430965946 208196874 /nfs/dbraw/zinc/19/68/74/208196874.db2.gz MCTPCMCNHNAENO-MRVPVSSYSA-N 2 2 296.293 -0.084 20 0 CBADLP Cn1cc(C[NH+]2CCN(C(=O)[C@@H]3C[NH2+]CCO3)CC2)cn1 ZINC000431006359 208197274 /nfs/dbraw/zinc/19/72/74/208197274.db2.gz YHIKBXXDOLPITP-ZDUSSCGKSA-N 2 2 293.371 -0.947 20 0 CBADLP C[C@H]1CN(C(=O)COC2C[NH2+]C2)C[C@H]1[NH+]1CCOCC1 ZINC000431011163 208197747 /nfs/dbraw/zinc/19/77/47/208197747.db2.gz BEZDBPZMDWJCPV-WCQYABFASA-N 2 2 283.372 -0.846 20 0 CBADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000431022087 208199249 /nfs/dbraw/zinc/19/92/49/208199249.db2.gz METWGLNOQMEYPH-OCCSQVGLSA-N 2 2 268.405 -0.262 20 0 CBADLP CC(C)[C@H](O)C[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000432939891 208235321 /nfs/dbraw/zinc/23/53/21/208235321.db2.gz PWPWDXJCSDFZSN-GFCCVEGCSA-N 2 2 257.378 -0.291 20 0 CBADLP CC(C)OC[C@@H](CO)[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000433148006 208238928 /nfs/dbraw/zinc/23/89/28/208238928.db2.gz PUOGRRCDFFBKCW-CYBMUJFWSA-N 2 2 287.404 -0.522 20 0 CBADLP CC(C)OC[C@@H](CO)[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000433148006 208238933 /nfs/dbraw/zinc/23/89/33/208238933.db2.gz PUOGRRCDFFBKCW-CYBMUJFWSA-N 2 2 287.404 -0.522 20 0 CBADLP CC(C)[C@@H](C[NH3+])C(=O)NC[C@H](C)[NH+]1CCN(C)CC1 ZINC000433169498 208239003 /nfs/dbraw/zinc/23/90/03/208239003.db2.gz RNFWQHAZBJLRFA-QWHCGFSZSA-N 2 2 270.421 -0.031 20 0 CBADLP CCC[NH2+][C@H](C)C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000449136948 208498569 /nfs/dbraw/zinc/49/85/69/208498569.db2.gz DCTGLEZPNZZBLR-LLVKDONJSA-N 2 2 284.404 -0.217 20 0 CBADLP C[NH+](C)CC(=O)N1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000350560405 219036629 /nfs/dbraw/zinc/03/66/29/219036629.db2.gz GYQSDAROSJUCBI-UHFFFAOYSA-N 2 2 293.371 -0.425 20 0 CBADLP CCOCCOCC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000576701938 335236753 /nfs/dbraw/zinc/23/67/53/335236753.db2.gz HHEMNQMZFXVNKO-LLVKDONJSA-N 2 2 259.350 -0.859 20 0 CBADLP CCOCCOCC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000576701938 335236755 /nfs/dbraw/zinc/23/67/55/335236755.db2.gz HHEMNQMZFXVNKO-LLVKDONJSA-N 2 2 259.350 -0.859 20 0 CBADLP COCCOC[C@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000093177043 533133224 /nfs/dbraw/zinc/13/32/24/533133224.db2.gz VQZKGNGKJZERQH-AWEZNQCLSA-N 2 2 299.415 -0.255 20 0 CBADLP COCCOC[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000093177043 533133230 /nfs/dbraw/zinc/13/32/30/533133230.db2.gz VQZKGNGKJZERQH-AWEZNQCLSA-N 2 2 299.415 -0.255 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)CC1 ZINC000422980504 220565029 /nfs/dbraw/zinc/56/50/29/220565029.db2.gz PXUYHVNOHFCUAD-CYBMUJFWSA-N 2 2 296.415 -0.262 20 0 CBADLP Cn1nccc1CCC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000575044671 335058452 /nfs/dbraw/zinc/05/84/52/335058452.db2.gz PQSXIIPUVSBWDJ-GFCCVEGCSA-N 2 2 265.361 -0.546 20 0 CBADLP Cn1nccc1CCC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000575044671 335058454 /nfs/dbraw/zinc/05/84/54/335058454.db2.gz PQSXIIPUVSBWDJ-GFCCVEGCSA-N 2 2 265.361 -0.546 20 0 CBADLP COC[C@H]([NH3+])C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000262327047 285383362 /nfs/dbraw/zinc/38/33/62/285383362.db2.gz RDAOZJSGEQMHQS-NEPJUHHUSA-N 2 2 271.361 -0.717 20 0 CBADLP COC[C@H]([NH3+])C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000375831949 285384102 /nfs/dbraw/zinc/38/41/02/285384102.db2.gz AUHBVFSRIVBJCW-SDDRHHMPSA-N 2 2 271.361 -0.982 20 0 CBADLP COC1(C(=O)NC[C@@H](C)[NH+]2CCOCC2)CC[NH2+]CC1 ZINC000164914902 292093687 /nfs/dbraw/zinc/09/36/87/292093687.db2.gz NWBURZHQVUAIFH-GFCCVEGCSA-N 2 2 285.388 -0.408 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)N2CC[NH+](CC(C)(C)O)CC2)[N@H+](C)C1 ZINC000408034178 286083022 /nfs/dbraw/zinc/08/30/22/286083022.db2.gz CHXYUFFDXDSINW-STQMWFEESA-N 2 2 299.415 -0.379 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)N2CC[NH+](CC(C)(C)O)CC2)[N@@H+](C)C1 ZINC000408034178 286083024 /nfs/dbraw/zinc/08/30/24/286083024.db2.gz CHXYUFFDXDSINW-STQMWFEESA-N 2 2 299.415 -0.379 20 0 CBADLP COCC1(C(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)CC[NH2+]CC1 ZINC000353389753 292217201 /nfs/dbraw/zinc/21/72/01/292217201.db2.gz RGFROHRGLBPBND-QWHCGFSZSA-N 2 2 297.399 -0.456 20 0 CBADLP COCC1(C(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)CC[NH2+]CC1 ZINC000353389753 292217203 /nfs/dbraw/zinc/21/72/03/292217203.db2.gz RGFROHRGLBPBND-QWHCGFSZSA-N 2 2 297.399 -0.456 20 0 CBADLP CC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000051763126 286783301 /nfs/dbraw/zinc/78/33/01/286783301.db2.gz ATLHOFREGBLHPU-CHWSQXEVSA-N 2 2 298.431 -0.005 20 0 CBADLP C[C@@H](NC(=O)[C@@H]1CCC[NH2+]1)[C@@H](C)[NH+]1CCOCC1 ZINC000167691392 286990717 /nfs/dbraw/zinc/99/07/17/286990717.db2.gz UGELVUFZPAXQPQ-UTUOFQBUSA-N 2 2 255.362 -0.036 20 0 CBADLP C[C@@H](NC(=O)[C@@H]1CC[NH2+]C1)[C@@H](C)[NH+]1CCOCC1 ZINC000237356648 286991506 /nfs/dbraw/zinc/99/15/06/286991506.db2.gz AXLSTMUZNZDZDD-IJLUTSLNSA-N 2 2 255.362 -0.179 20 0 CBADLP C[C@@H](NC(N)=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000112921627 287006858 /nfs/dbraw/zinc/00/68/58/287006858.db2.gz YADOGVMYEPNVJK-LLVKDONJSA-N 2 2 299.419 -0.472 20 0 CBADLP C[C@@H](NC(N)=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000112921627 287006862 /nfs/dbraw/zinc/00/68/62/287006862.db2.gz YADOGVMYEPNVJK-LLVKDONJSA-N 2 2 299.419 -0.472 20 0 CBADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCCn2cc[nH+]c2)[C@H](C)C1 ZINC000286989021 287090961 /nfs/dbraw/zinc/09/09/61/287090961.db2.gz FUNYXIFGSQKINI-CHWSQXEVSA-N 2 2 295.387 -0.020 20 0 CBADLP C[C@@H](O)C[N@H+]1CCN(C(=O)NCCn2cc[nH+]c2)[C@H](C)C1 ZINC000286989021 287090964 /nfs/dbraw/zinc/09/09/64/287090964.db2.gz FUNYXIFGSQKINI-CHWSQXEVSA-N 2 2 295.387 -0.020 20 0 CBADLP COCC[NH+]1CCC([NH2+]C[C@@H](O)C[NH+](C)C)CC1 ZINC000361209728 292524059 /nfs/dbraw/zinc/52/40/59/292524059.db2.gz VGLPHZCNGDEHIN-CYBMUJFWSA-N 3 2 259.394 -0.391 20 0 CBADLP [NH3+][C@H](C(=O)N1CC[NH+](CCO)CC1)c1ccccc1 ZINC000035609627 172294838 /nfs/dbraw/zinc/29/48/38/172294838.db2.gz SLLKQNOSBRTHPP-ZDUSSCGKSA-N 2 2 263.341 -0.177 20 0 CBADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)[C@H]1CCCO1 ZINC000035735746 172388780 /nfs/dbraw/zinc/38/87/80/172388780.db2.gz ZYGZDXAHUMJIBN-VXGBXAGGSA-N 2 2 255.362 -0.083 20 0 CBADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)[C@H]1CCCO1 ZINC000035735745 172388806 /nfs/dbraw/zinc/38/88/06/172388806.db2.gz ZYGZDXAHUMJIBN-NWDGAFQWSA-N 2 2 255.362 -0.083 20 0 CBADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@@H]2[NH2+]CCC2(C)C)CC1 ZINC000662746907 413993242 /nfs/dbraw/zinc/99/32/42/413993242.db2.gz OUZVCQJQJJIMJL-NSHDSACASA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@H]2CCO[C@@H]2C[NH3+])C[C@H]1[NH+]1CCOCC1 ZINC000662753603 413994264 /nfs/dbraw/zinc/99/42/64/413994264.db2.gz URNYEODUPRSUNV-AAVRWANBSA-N 2 2 297.399 -0.471 20 0 CBADLP CN(C(=O)C[NH3+])[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662899511 414061562 /nfs/dbraw/zinc/06/15/62/414061562.db2.gz DZHJQDNPHKQHPR-LBPRGKRZSA-N 3 2 254.378 -0.428 20 0 CBADLP CN(C(=O)C[NH3+])[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662899511 414061570 /nfs/dbraw/zinc/06/15/70/414061570.db2.gz DZHJQDNPHKQHPR-LBPRGKRZSA-N 3 2 254.378 -0.428 20 0 CBADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000662899963 414059286 /nfs/dbraw/zinc/05/92/86/414059286.db2.gz JBTDBOKXFXJKKW-GHMZBOCLSA-N 2 2 293.371 -0.052 20 0 CBADLP C[N@H+](CC(=O)NCC(F)(F)F)CC(=O)N1CC[NH2+]CC1 ZINC000038031351 174024188 /nfs/dbraw/zinc/02/41/88/174024188.db2.gz JLEDFGZQBPJKLP-UHFFFAOYSA-N 2 2 296.293 -0.972 20 0 CBADLP C[N@@H+](CC(=O)NCC(F)(F)F)CC(=O)N1CC[NH2+]CC1 ZINC000038031351 174024189 /nfs/dbraw/zinc/02/41/89/174024189.db2.gz JLEDFGZQBPJKLP-UHFFFAOYSA-N 2 2 296.293 -0.972 20 0 CBADLP C[N@H+](CC(=O)N1CCCCC1)CC(=O)N1CC[NH2+]CC1 ZINC000038031484 174026110 /nfs/dbraw/zinc/02/61/10/174026110.db2.gz GNEHJFVDSYBEQF-UHFFFAOYSA-N 2 2 282.388 -0.638 20 0 CBADLP C[N@@H+](CC(=O)N1CCCCC1)CC(=O)N1CC[NH2+]CC1 ZINC000038031484 174026111 /nfs/dbraw/zinc/02/61/11/174026111.db2.gz GNEHJFVDSYBEQF-UHFFFAOYSA-N 2 2 282.388 -0.638 20 0 CBADLP CC(C)(CNC(=O)[C@H]1CCC[NH2+]1)[NH+]1CCOCC1 ZINC000040430138 174259810 /nfs/dbraw/zinc/25/98/10/174259810.db2.gz BYHZEKULUGWDJW-LLVKDONJSA-N 2 2 255.362 -0.035 20 0 CBADLP C[NH2+]C[C@@H]1CCC[N@H+](CC(=O)N2CCN(C(C)=O)CC2)C1 ZINC000040600458 174350731 /nfs/dbraw/zinc/35/07/31/174350731.db2.gz MYHAZSSXDWHLMU-AWEZNQCLSA-N 2 2 296.415 -0.392 20 0 CBADLP C[NH2+]C[C@@H]1CCC[N@@H+](CC(=O)N2CCN(C(C)=O)CC2)C1 ZINC000040600458 174350732 /nfs/dbraw/zinc/35/07/32/174350732.db2.gz MYHAZSSXDWHLMU-AWEZNQCLSA-N 2 2 296.415 -0.392 20 0 CBADLP CC(C)C[C@@H](CNC(=O)[C@H]1C[NH2+]CCO1)[NH+]1CCOCC1 ZINC000043800705 175106059 /nfs/dbraw/zinc/10/60/59/175106059.db2.gz HGRZXCMGDOWKRV-UONOGXRCSA-N 2 2 299.415 -0.162 20 0 CBADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000071146693 176042785 /nfs/dbraw/zinc/04/27/85/176042785.db2.gz HFHHYJFOOJYFRY-VIFPVBQESA-N 2 2 254.334 -0.484 20 0 CBADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000071146693 176042786 /nfs/dbraw/zinc/04/27/86/176042786.db2.gz HFHHYJFOOJYFRY-VIFPVBQESA-N 2 2 254.334 -0.484 20 0 CBADLP C[C@H]1C[C@H]([NH2+]CC(=O)N2CCOCC2)CC[N@@H+]1C ZINC000128142884 544456867 /nfs/dbraw/zinc/45/68/67/544456867.db2.gz CRLNXTQVOTZOLP-NWDGAFQWSA-N 2 2 255.362 -0.083 20 0 CBADLP C[C@H]1C[C@H]([NH2+]CC(=O)N2CCOCC2)CC[N@H+]1C ZINC000128142884 544456871 /nfs/dbraw/zinc/45/68/71/544456871.db2.gz CRLNXTQVOTZOLP-NWDGAFQWSA-N 2 2 255.362 -0.083 20 0 CBADLP CN(C)C(=O)C[NH+]1CCN(C(=O)C[C@H]2CC[NH2+]C2)CC1 ZINC000089743970 544437615 /nfs/dbraw/zinc/43/76/15/544437615.db2.gz BLVCWKKAKPCORS-GFCCVEGCSA-N 2 2 282.388 -0.782 20 0 CBADLP CN1C(=O)CC[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)C1=O ZINC000090030436 544438293 /nfs/dbraw/zinc/43/82/93/544438293.db2.gz OQZDKHHKVSOPSZ-WDEREUQCSA-N 2 2 269.345 -0.820 20 0 CBADLP Cc1nn(C)cc1C[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000123625203 544452848 /nfs/dbraw/zinc/45/28/48/544452848.db2.gz WSWYIJDMBSQPNS-UHFFFAOYSA-N 2 2 265.361 -0.408 20 0 CBADLP CC[NH+](CC)CC(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000130376043 544457622 /nfs/dbraw/zinc/45/76/22/544457622.db2.gz DARPULJIXNLKRR-UHFFFAOYSA-N 2 2 287.404 -0.519 20 0 CBADLP CC(C)C[C@@H](CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)[NH+]1CCOCC1 ZINC000226820336 544493387 /nfs/dbraw/zinc/49/33/87/544493387.db2.gz SCFKIQMZXYXLCE-BFHYXJOUSA-N 2 2 299.415 -0.428 20 0 CBADLP CCCC(=O)NCC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000162539826 544477386 /nfs/dbraw/zinc/47/73/86/544477386.db2.gz HIDOJHMZPPTOJV-JTQLQIEISA-N 2 2 256.350 -0.996 20 0 CBADLP CCCC(=O)NCC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000162539826 544477390 /nfs/dbraw/zinc/47/73/90/544477390.db2.gz HIDOJHMZPPTOJV-JTQLQIEISA-N 2 2 256.350 -0.996 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+]CC[C@H]2CCOC2)CC1 ZINC000220633873 544490498 /nfs/dbraw/zinc/49/04/98/544490498.db2.gz WTDHLXOJPDRZKK-LBPRGKRZSA-N 2 2 255.362 -0.223 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@@]2(C)CC[NH2+]C2)CC1 ZINC000236577170 544506151 /nfs/dbraw/zinc/50/61/51/544506151.db2.gz MMJKFWPIWCBBHQ-AWEZNQCLSA-N 2 2 282.388 -0.734 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@]2(C)CCC[NH2+]C2)CC1 ZINC000236577347 544507101 /nfs/dbraw/zinc/50/71/01/544507101.db2.gz RIFLJAPSOMJDKK-OAHLLOKOSA-N 2 2 296.415 -0.344 20 0 CBADLP [NH3+]C[C@H](NC(=O)CN1CC[NH2+]CC1=O)C1CCCCC1 ZINC000237867389 544509814 /nfs/dbraw/zinc/50/98/14/544509814.db2.gz SUECSTBONUNOQZ-LBPRGKRZSA-N 2 2 282.388 -0.558 20 0 CBADLP C[C@H]1CCC[N@H+](Cc2cc(=O)n(C)c(=O)n2C)[C@H]1C[NH3+] ZINC000252173057 544514333 /nfs/dbraw/zinc/51/43/33/544514333.db2.gz OIXRIJZRRKDGQP-JQWIXIFHSA-N 2 2 280.372 -0.357 20 0 CBADLP C[C@H]1CCC[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)[C@H]1C[NH3+] ZINC000252173057 544514337 /nfs/dbraw/zinc/51/43/37/544514337.db2.gz OIXRIJZRRKDGQP-JQWIXIFHSA-N 2 2 280.372 -0.357 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)C[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000261803560 544516998 /nfs/dbraw/zinc/51/69/98/544516998.db2.gz RCXGQYPUNXIBLP-UONOGXRCSA-N 2 2 296.415 -0.216 20 0 CBADLP O=C(CCCn1cc[nH+]c1)N1CC[NH+](CCO)CC1 ZINC000304934384 544526677 /nfs/dbraw/zinc/52/66/77/544526677.db2.gz GYIRVAHYQCJTKZ-UHFFFAOYSA-N 2 2 266.345 -0.200 20 0 CBADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CC(=O)N1CCNC(=O)C1)C2 ZINC000660651587 419419586 /nfs/dbraw/zinc/41/95/86/419419586.db2.gz BFZCNPCMDMNQAH-HNNXBMFYSA-N 2 2 294.399 -0.638 20 0 CBADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](CC(=O)N1CCNC(=O)C1)C2 ZINC000660651587 419419595 /nfs/dbraw/zinc/41/95/95/419419595.db2.gz BFZCNPCMDMNQAH-HNNXBMFYSA-N 2 2 294.399 -0.638 20 0 CBADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](CC(=O)N1CCNC(=O)C1)C2 ZINC000660651587 419419606 /nfs/dbraw/zinc/41/96/06/419419606.db2.gz BFZCNPCMDMNQAH-HNNXBMFYSA-N 2 2 294.399 -0.638 20 0 CBADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CC(=O)N1CCNC(=O)C1)C2 ZINC000660651587 419419627 /nfs/dbraw/zinc/41/96/27/419419627.db2.gz BFZCNPCMDMNQAH-HNNXBMFYSA-N 2 2 294.399 -0.638 20 0 CBADLP C[NH+]1CCN(C(=O)CN2CCn3c[nH+]cc3C2)CC1 ZINC000660578148 419409431 /nfs/dbraw/zinc/40/94/31/419409431.db2.gz KOEIVJZEQFYJFX-UHFFFAOYSA-N 2 2 263.345 -0.527 20 0 CBADLP O=C([C@@H]1CSC[NH2+]1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000037799502 419411224 /nfs/dbraw/zinc/41/12/24/419411224.db2.gz ZQRQPIPKIWKOMK-NEPJUHHUSA-N 2 2 285.413 -0.028 20 0 CBADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CC(=O)N1CCNC(=O)C1)C2 ZINC000660651588 419416239 /nfs/dbraw/zinc/41/62/39/419416239.db2.gz BFZCNPCMDMNQAH-OAHLLOKOSA-N 2 2 294.399 -0.638 20 0 CBADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CC(=O)N1CCNC(=O)C1)C2 ZINC000660651588 419416249 /nfs/dbraw/zinc/41/62/49/419416249.db2.gz BFZCNPCMDMNQAH-OAHLLOKOSA-N 2 2 294.399 -0.638 20 0 CBADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CC(=O)N1CCNC(=O)C1)C2 ZINC000660651588 419416264 /nfs/dbraw/zinc/41/62/64/419416264.db2.gz BFZCNPCMDMNQAH-OAHLLOKOSA-N 2 2 294.399 -0.638 20 0 CBADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CC(=O)N1CCNC(=O)C1)C2 ZINC000660651588 419416272 /nfs/dbraw/zinc/41/62/72/419416272.db2.gz BFZCNPCMDMNQAH-OAHLLOKOSA-N 2 2 294.399 -0.638 20 0 CBADLP CN1C(=O)CC[C@H]1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000354479689 544565756 /nfs/dbraw/zinc/56/57/56/544565756.db2.gz ONCHIKJAPAOYJT-ZDUSSCGKSA-N 2 2 296.415 -0.251 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H](CO)C2CCC2)CC1 ZINC000661152996 419476009 /nfs/dbraw/zinc/47/60/09/419476009.db2.gz DSNDQRVMPDDCJL-LBPRGKRZSA-N 2 2 255.362 -0.489 20 0 CBADLP Cc1nc(NC[C@H](C)C[NH+]2CCOCC2)nc(N)[nH+]1 ZINC000631124143 419476595 /nfs/dbraw/zinc/47/65/95/419476595.db2.gz HCYCHZYNVRXEMN-VIFPVBQESA-N 2 2 266.349 -0.436 20 0 CBADLP O=C([C@@H]1C[NH2+]CCO1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000043709736 419428826 /nfs/dbraw/zinc/42/88/26/419428826.db2.gz IUZPLNAJKMUIEH-STQMWFEESA-N 2 2 283.372 -0.702 20 0 CBADLP CC(C)[C@@H](CNC(=O)[C@H]1C[NH2+]CCO1)[NH+]1CCN(C)CC1 ZINC000043800550 419431797 /nfs/dbraw/zinc/43/17/97/419431797.db2.gz ZMRUNRHGKRZJQC-ZIAGYGMSSA-N 2 2 298.431 -0.637 20 0 CBADLP CC(C)[C@@H](CNC(=O)[C@H]1C[NH2+]CCO1)N1CC[NH+](C)CC1 ZINC000043800550 419431804 /nfs/dbraw/zinc/43/18/04/419431804.db2.gz ZMRUNRHGKRZJQC-ZIAGYGMSSA-N 2 2 298.431 -0.637 20 0 CBADLP O[C@@H](C[NH2+]CCCCn1cc[nH+]c1)CN1CCOCC1 ZINC000045107062 419436751 /nfs/dbraw/zinc/43/67/51/419436751.db2.gz YCMPQRJEEAPCPV-AWEZNQCLSA-N 2 2 282.388 -0.054 20 0 CBADLP CC(C)[N@H+](C)C[C@@H](O)C[NH2+]C1(C(=O)N(C)C)CC1 ZINC000660801914 419439185 /nfs/dbraw/zinc/43/91/85/419439185.db2.gz UXINNCQMBMFLRT-NSHDSACASA-N 2 2 257.378 -0.102 20 0 CBADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+]C1(C(=O)N(C)C)CC1 ZINC000660801914 419439192 /nfs/dbraw/zinc/43/91/92/419439192.db2.gz UXINNCQMBMFLRT-NSHDSACASA-N 2 2 257.378 -0.102 20 0 CBADLP C[C@@H](O)C[NH+]1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000356729717 544567925 /nfs/dbraw/zinc/56/79/25/544567925.db2.gz PFFKNUWYXYQPKH-LLVKDONJSA-N 2 2 266.345 -0.133 20 0 CBADLP C[C@@H](O)C[NH+]1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000356729717 544567927 /nfs/dbraw/zinc/56/79/27/544567927.db2.gz PFFKNUWYXYQPKH-LLVKDONJSA-N 2 2 266.345 -0.133 20 0 CBADLP COC[C@@H]1C[C@@H](O)C[N@@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC000660915629 419458456 /nfs/dbraw/zinc/45/84/56/419458456.db2.gz WTMMQHZHEBLIQF-XQQFMLRXSA-N 2 2 260.378 -0.231 20 0 CBADLP COC[C@@H]1C[C@@H](O)C[N@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC000660915629 419458465 /nfs/dbraw/zinc/45/84/65/419458465.db2.gz WTMMQHZHEBLIQF-XQQFMLRXSA-N 2 2 260.378 -0.231 20 0 CBADLP COC[C@@H]1C[C@@H](O)C[NH+]1C[C@@H](O)C[N@H+](C)C(C)C ZINC000660915629 419458473 /nfs/dbraw/zinc/45/84/73/419458473.db2.gz WTMMQHZHEBLIQF-XQQFMLRXSA-N 2 2 260.378 -0.231 20 0 CBADLP COC[C@@H]1C[C@@H](O)C[NH+]1C[C@@H](O)C[N@@H+](C)C(C)C ZINC000660915629 419458481 /nfs/dbraw/zinc/45/84/81/419458481.db2.gz WTMMQHZHEBLIQF-XQQFMLRXSA-N 2 2 260.378 -0.231 20 0 CBADLP COC[C@H]1C[C@@H](O)C[N@@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC000660919028 419461003 /nfs/dbraw/zinc/46/10/03/419461003.db2.gz WTMMQHZHEBLIQF-UPJWGTAASA-N 2 2 260.378 -0.231 20 0 CBADLP COC[C@H]1C[C@@H](O)C[N@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC000660919028 419461014 /nfs/dbraw/zinc/46/10/14/419461014.db2.gz WTMMQHZHEBLIQF-UPJWGTAASA-N 2 2 260.378 -0.231 20 0 CBADLP COC[C@H]1C[C@@H](O)C[NH+]1C[C@@H](O)C[N@H+](C)C(C)C ZINC000660919028 419461022 /nfs/dbraw/zinc/46/10/22/419461022.db2.gz WTMMQHZHEBLIQF-UPJWGTAASA-N 2 2 260.378 -0.231 20 0 CBADLP COC[C@H]1C[C@@H](O)C[NH+]1C[C@@H](O)C[N@@H+](C)C(C)C ZINC000660919028 419461025 /nfs/dbraw/zinc/46/10/25/419461025.db2.gz WTMMQHZHEBLIQF-UPJWGTAASA-N 2 2 260.378 -0.231 20 0 CBADLP Cc1nc(N2CCN(C(=O)N3CC[NH2+]CC3)CC2)cc[nH+]1 ZINC000060174937 419461136 /nfs/dbraw/zinc/46/11/36/419461136.db2.gz QJPHMOOMLPCGCN-UHFFFAOYSA-N 2 2 290.371 -0.068 20 0 CBADLP CN(C)C(=O)C[NH+]1CCN(C(=O)CCCC[NH3+])CC1 ZINC000070202392 419463325 /nfs/dbraw/zinc/46/33/25/419463325.db2.gz UEHKSFXYWNOTII-UHFFFAOYSA-N 2 2 270.377 -0.652 20 0 CBADLP C[C@H]1CCC[N@H+](Cc2cc(=O)n(C)c(=O)n2C)[C@@H]1C[NH3+] ZINC000070178226 419464051 /nfs/dbraw/zinc/46/40/51/419464051.db2.gz OIXRIJZRRKDGQP-CMPLNLGQSA-N 2 2 280.372 -0.357 20 0 CBADLP C[C@H]1CCC[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)[C@@H]1C[NH3+] ZINC000070178226 419464057 /nfs/dbraw/zinc/46/40/57/419464057.db2.gz OIXRIJZRRKDGQP-CMPLNLGQSA-N 2 2 280.372 -0.357 20 0 CBADLP Cc1nc(N[C@H](C)CN2CC[NH+](C)CC2)nc(N)[nH+]1 ZINC000631111027 419469835 /nfs/dbraw/zinc/46/98/35/419469835.db2.gz PWQNOVUQJVSFDL-SECBINFHSA-N 2 2 265.365 -0.768 20 0 CBADLP CC[NH+]1CCN([C@@H](C)CNc2nc(C)[nH+]c(N)n2)CC1 ZINC000631059298 419473433 /nfs/dbraw/zinc/47/34/33/419473433.db2.gz KTGUWHZDJOJOFR-JTQLQIEISA-N 2 2 279.392 -0.378 20 0 CBADLP Cc1nc(NCCN2CCC([NH+](C)C)CC2)nc(N)[nH+]1 ZINC000631147701 419473902 /nfs/dbraw/zinc/47/39/02/419473902.db2.gz PJCZPWHFJDGMOX-UHFFFAOYSA-N 2 2 279.392 -0.378 20 0 CBADLP Cc1nc(NC[C@H]2C[N@H+](CC(C)C)CCO2)nc(N)[nH+]1 ZINC000631040151 419475198 /nfs/dbraw/zinc/47/51/98/419475198.db2.gz BTMURMSRPBZTGL-NSHDSACASA-N 2 2 280.376 -0.047 20 0 CBADLP Cc1nc(NC[C@H]2C[N@@H+](CC(C)C)CCO2)nc(N)[nH+]1 ZINC000631040151 419475205 /nfs/dbraw/zinc/47/52/05/419475205.db2.gz BTMURMSRPBZTGL-NSHDSACASA-N 2 2 280.376 -0.047 20 0 CBADLP Cc1nc(N)nc(NC[C@H]2C[N@H+](CC(C)C)CCO2)[nH+]1 ZINC000631040151 419475212 /nfs/dbraw/zinc/47/52/12/419475212.db2.gz BTMURMSRPBZTGL-NSHDSACASA-N 2 2 280.376 -0.047 20 0 CBADLP Cc1nc(N)nc(NC[C@H]2C[N@@H+](CC(C)C)CCO2)[nH+]1 ZINC000631040151 419475222 /nfs/dbraw/zinc/47/52/22/419475222.db2.gz BTMURMSRPBZTGL-NSHDSACASA-N 2 2 280.376 -0.047 20 0 CBADLP COc1cc[nH+]c(CN(C)C[C@@H](O)C[NH3+])c1OC ZINC000381271288 544573771 /nfs/dbraw/zinc/57/37/71/544573771.db2.gz RRAUWWIHDLTSGK-VIFPVBQESA-N 2 2 255.318 -0.150 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H]3COC[C@@]3(C)C2)CC1 ZINC000661702542 419521930 /nfs/dbraw/zinc/52/19/30/419521930.db2.gz QIKBNGXVIWWVTQ-TZMCWYRMSA-N 2 2 267.373 -0.271 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2C[C@@H]3COC[C@@]3(C)C2)CC1 ZINC000661702542 419521940 /nfs/dbraw/zinc/52/19/40/419521940.db2.gz QIKBNGXVIWWVTQ-TZMCWYRMSA-N 2 2 267.373 -0.271 20 0 CBADLP CSC[C@@H](O)C[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000187738652 419522245 /nfs/dbraw/zinc/52/22/45/419522245.db2.gz JVDRMYZUZWNAHQ-NSHDSACASA-N 2 2 275.418 -0.584 20 0 CBADLP CO[C@@H]1CS(=O)(=O)[C@H]2C[N@H+](CCn3cc[nH+]c3C)C[C@H]21 ZINC000661883968 419534022 /nfs/dbraw/zinc/53/40/22/419534022.db2.gz KBUHYHCPILDWHC-XQQFMLRXSA-N 2 2 299.396 -0.065 20 0 CBADLP CO[C@@H]1CS(=O)(=O)[C@H]2C[N@@H+](CCn3cc[nH+]c3C)C[C@H]21 ZINC000661883968 419534029 /nfs/dbraw/zinc/53/40/29/419534029.db2.gz KBUHYHCPILDWHC-XQQFMLRXSA-N 2 2 299.396 -0.065 20 0 CBADLP C[C@@H]1C[N@H+](CCN2CC[NH+](CCO)[C@@H](C)C2)CCO1 ZINC000192834589 419536308 /nfs/dbraw/zinc/53/63/08/419536308.db2.gz VAHZEVJHDRRLJH-UONOGXRCSA-N 2 2 271.405 -0.295 20 0 CBADLP C[C@@H]1C[N@@H+](CCN2CC[NH+](CCO)[C@@H](C)C2)CCO1 ZINC000192834589 419536316 /nfs/dbraw/zinc/53/63/16/419536316.db2.gz VAHZEVJHDRRLJH-UONOGXRCSA-N 2 2 271.405 -0.295 20 0 CBADLP C[C@@H]1C[NH+](CCN2CC[N@H+](CCO)[C@@H](C)C2)CCO1 ZINC000192834589 419536320 /nfs/dbraw/zinc/53/63/20/419536320.db2.gz VAHZEVJHDRRLJH-UONOGXRCSA-N 2 2 271.405 -0.295 20 0 CBADLP C[C@@H]1C[NH+](CCN2CC[N@@H+](CCO)[C@@H](C)C2)CCO1 ZINC000192834589 419536327 /nfs/dbraw/zinc/53/63/27/419536327.db2.gz VAHZEVJHDRRLJH-UONOGXRCSA-N 2 2 271.405 -0.295 20 0 CBADLP CO[C@@H]1CS(=O)(=O)[C@H]2C[N@H+](CCn3cc[nH+]c3)C[C@H]21 ZINC000661883581 419537380 /nfs/dbraw/zinc/53/73/80/419537380.db2.gz FGKCGJJKPXGSEZ-TUAOUCFPSA-N 2 2 285.369 -0.373 20 0 CBADLP CO[C@@H]1CS(=O)(=O)[C@H]2C[N@@H+](CCn3cc[nH+]c3)C[C@H]21 ZINC000661883581 419537386 /nfs/dbraw/zinc/53/73/86/419537386.db2.gz FGKCGJJKPXGSEZ-TUAOUCFPSA-N 2 2 285.369 -0.373 20 0 CBADLP O=C(NCCCn1cc[nH+]c1)NCC[NH+]1CCOCC1 ZINC000192894635 419541846 /nfs/dbraw/zinc/54/18/46/419541846.db2.gz AWXXIBHSCMRBPC-UHFFFAOYSA-N 2 2 281.360 -0.095 20 0 CBADLP CCC[N@@H+]1CC[C@H](NC[C@H](O)C[NH+]2CCOCC2)C1 ZINC000389556241 544577102 /nfs/dbraw/zinc/57/71/02/544577102.db2.gz RPLCUFAKTBGHCT-KBPBESRZSA-N 2 2 271.405 -0.247 20 0 CBADLP CCC[N@H+]1CC[C@H](NC[C@H](O)C[NH+]2CCOCC2)C1 ZINC000389556241 544577107 /nfs/dbraw/zinc/57/71/07/544577107.db2.gz RPLCUFAKTBGHCT-KBPBESRZSA-N 2 2 271.405 -0.247 20 0 CBADLP Cc1cc(NC[C@@]2(CO)COCC[NH2+]2)nc(C)[nH+]1 ZINC000641690765 419556751 /nfs/dbraw/zinc/55/67/51/419556751.db2.gz ZYNUYNDTYALEDW-GFCCVEGCSA-N 2 2 252.318 -0.144 20 0 CBADLP CCC(=O)N[C@H]1CCC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662252972 419561670 /nfs/dbraw/zinc/56/16/70/419561670.db2.gz FCRQROYXGYNUBS-RYUDHWBXSA-N 2 2 255.362 -0.035 20 0 CBADLP CCC(=O)N[C@H]1CCC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662252972 419561679 /nfs/dbraw/zinc/56/16/79/419561679.db2.gz FCRQROYXGYNUBS-RYUDHWBXSA-N 2 2 255.362 -0.035 20 0 CBADLP O=C1C[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CCN1C1CC1 ZINC000662254773 419561880 /nfs/dbraw/zinc/56/18/80/419561880.db2.gz LJYBKQOZHQHGDW-GFCCVEGCSA-N 2 2 265.357 -0.186 20 0 CBADLP O=C1C[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CCN1C1CC1 ZINC000662254773 419561887 /nfs/dbraw/zinc/56/18/87/419561887.db2.gz LJYBKQOZHQHGDW-GFCCVEGCSA-N 2 2 265.357 -0.186 20 0 CBADLP CS(=O)(=O)NC[C@@H]1CCC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662250293 419562029 /nfs/dbraw/zinc/56/20/29/419562029.db2.gz DIRRXVHIVVKZDM-RYUDHWBXSA-N 2 2 291.417 -0.764 20 0 CBADLP CS(=O)(=O)NC[C@@H]1CCC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662250293 419562032 /nfs/dbraw/zinc/56/20/32/419562032.db2.gz DIRRXVHIVVKZDM-RYUDHWBXSA-N 2 2 291.417 -0.764 20 0 CBADLP O=C([C@@H]1CCC[N@H+](C[C@@H]2C[NH2+]CCO2)C1)N1CCOCC1 ZINC000662248990 419562505 /nfs/dbraw/zinc/56/25/05/419562505.db2.gz MWUDPXIQZMXWFL-KGLIPLIRSA-N 2 2 297.399 -0.454 20 0 CBADLP O=C([C@@H]1CCC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1)N1CCOCC1 ZINC000662248990 419562509 /nfs/dbraw/zinc/56/25/09/419562509.db2.gz MWUDPXIQZMXWFL-KGLIPLIRSA-N 2 2 297.399 -0.454 20 0 CBADLP C[C@H]([NH3+])[C@H]1C[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000662248230 419562519 /nfs/dbraw/zinc/56/25/19/419562519.db2.gz WPESHRYVEGPZBO-QJPTWQEYSA-N 3 2 255.362 -0.445 20 0 CBADLP C[C@H]([NH3+])[C@H]1C[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000662248230 419562522 /nfs/dbraw/zinc/56/25/22/419562522.db2.gz WPESHRYVEGPZBO-QJPTWQEYSA-N 3 2 255.362 -0.445 20 0 CBADLP CS(=O)(=O)N1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662248397 419563520 /nfs/dbraw/zinc/56/35/20/419563520.db2.gz ANTDDSWJPYUFME-NSHDSACASA-N 2 2 289.401 -0.915 20 0 CBADLP O=C(NC1CC1)[C@@H]1CCC[N@@H+]1C[C@H]1C[NH2+]CCO1 ZINC000662251309 419563834 /nfs/dbraw/zinc/56/38/34/419563834.db2.gz CNOQLPQUQZFNHV-NEPJUHHUSA-N 2 2 253.346 -0.282 20 0 CBADLP O=C(NC1CC1)[C@@H]1CCC[N@H+]1C[C@H]1C[NH2+]CCO1 ZINC000662251309 419563844 /nfs/dbraw/zinc/56/38/44/419563844.db2.gz CNOQLPQUQZFNHV-NEPJUHHUSA-N 2 2 253.346 -0.282 20 0 CBADLP O=C([C@@H]1CCCC[N@@H+]1C[C@@H]1C[NH2+]CCO1)N1CCOCC1 ZINC000662258515 419565638 /nfs/dbraw/zinc/56/56/38/419565638.db2.gz VPWMLTCAUYTRGY-KBPBESRZSA-N 2 2 297.399 -0.312 20 0 CBADLP O=C([C@@H]1CCCC[N@H+]1C[C@@H]1C[NH2+]CCO1)N1CCOCC1 ZINC000662258515 419565643 /nfs/dbraw/zinc/56/56/43/419565643.db2.gz VPWMLTCAUYTRGY-KBPBESRZSA-N 2 2 297.399 -0.312 20 0 CBADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000662272209 419566525 /nfs/dbraw/zinc/56/65/25/419566525.db2.gz MDEAPXBSDGFWBV-OLZOCXBDSA-N 3 2 284.404 -0.706 20 0 CBADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000662272209 419566530 /nfs/dbraw/zinc/56/65/30/419566530.db2.gz MDEAPXBSDGFWBV-OLZOCXBDSA-N 3 2 284.404 -0.706 20 0 CBADLP Cc1nnc(C[N@H+](C)CCC(=O)N2CC[NH+](C)CC2)o1 ZINC000661528968 419500679 /nfs/dbraw/zinc/50/06/79/419500679.db2.gz DVDLXEOXLSVUDT-UHFFFAOYSA-N 2 2 281.360 -0.026 20 0 CBADLP Cc1nnc(C[N@@H+](C)CCC(=O)N2CC[NH+](C)CC2)o1 ZINC000661528968 419500685 /nfs/dbraw/zinc/50/06/85/419500685.db2.gz DVDLXEOXLSVUDT-UHFFFAOYSA-N 2 2 281.360 -0.026 20 0 CBADLP C[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)C[C@H](C)[C@H]1O ZINC000661626273 419508038 /nfs/dbraw/zinc/50/80/38/419508038.db2.gz VXHCGTYVFLUPGC-IMRBUKKESA-N 2 2 269.389 -0.291 20 0 CBADLP C[C@@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)C[C@H](C)[C@H]1O ZINC000661626273 419508045 /nfs/dbraw/zinc/50/80/45/419508045.db2.gz VXHCGTYVFLUPGC-IMRBUKKESA-N 2 2 269.389 -0.291 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@](O)(C3CC3)C2)CC1 ZINC000661634379 419513168 /nfs/dbraw/zinc/51/31/68/419513168.db2.gz YKVFFDOGQNEGCH-OAHLLOKOSA-N 2 2 281.400 -0.003 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@](O)(C3CC3)C2)CC1 ZINC000661634379 419513173 /nfs/dbraw/zinc/51/31/73/419513173.db2.gz YKVFFDOGQNEGCH-OAHLLOKOSA-N 2 2 281.400 -0.003 20 0 CBADLP C[C@@H]1CN(C[C@H]2C[NH2+]CCO2)C[C@@H]1[NH+]1CCOCC1 ZINC000662266252 419567335 /nfs/dbraw/zinc/56/73/35/419567335.db2.gz ZSDAWMFBCYNCKL-MCIONIFRSA-N 2 2 269.389 -0.373 20 0 CBADLP C[C@@H]1C[N@H+](C[C@H]2C[NH2+]CCO2)C[C@@H]1N1CCOCC1 ZINC000662266252 419567342 /nfs/dbraw/zinc/56/73/42/419567342.db2.gz ZSDAWMFBCYNCKL-MCIONIFRSA-N 2 2 269.389 -0.373 20 0 CBADLP C[C@@H]1C[N@@H+](C[C@H]2C[NH2+]CCO2)C[C@@H]1N1CCOCC1 ZINC000662266252 419567348 /nfs/dbraw/zinc/56/73/48/419567348.db2.gz ZSDAWMFBCYNCKL-MCIONIFRSA-N 2 2 269.389 -0.373 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2COC[C@]2(C)C1 ZINC000661700343 419516347 /nfs/dbraw/zinc/51/63/47/419516347.db2.gz GCHNIRDVPIKMEB-RDBSUJKOSA-N 2 2 272.389 -0.106 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H]2COC[C@]2(C)C1 ZINC000661700343 419516350 /nfs/dbraw/zinc/51/63/50/419516350.db2.gz GCHNIRDVPIKMEB-RDBSUJKOSA-N 2 2 272.389 -0.106 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000661700343 419516355 /nfs/dbraw/zinc/51/63/55/419516355.db2.gz GCHNIRDVPIKMEB-RDBSUJKOSA-N 2 2 272.389 -0.106 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000661700343 419516358 /nfs/dbraw/zinc/51/63/58/419516358.db2.gz GCHNIRDVPIKMEB-RDBSUJKOSA-N 2 2 272.389 -0.106 20 0 CBADLP C[C@@H]([NH3+])CCC(=O)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000394382981 544580270 /nfs/dbraw/zinc/58/02/70/544580270.db2.gz UZRFZAGICKLTSV-VXGBXAGGSA-N 2 2 254.378 -0.380 20 0 CBADLP C[C@@H]([NH3+])CCC(=O)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000394382981 544580273 /nfs/dbraw/zinc/58/02/73/544580273.db2.gz UZRFZAGICKLTSV-VXGBXAGGSA-N 2 2 254.378 -0.380 20 0 CBADLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1ccc(S(N)(=O)=O)cc1 ZINC000662282221 419571490 /nfs/dbraw/zinc/57/14/90/419571490.db2.gz NWWVIPPKWILHPU-JQWIXIFHSA-N 2 2 299.396 -0.027 20 0 CBADLP CCCCOCCNC(=O)C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000662285998 419571928 /nfs/dbraw/zinc/57/19/28/419571928.db2.gz FMOMKZADFPGOBR-UHFFFAOYSA-N 2 2 287.404 -0.377 20 0 CBADLP CN(CC1CC1)C(=O)C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000662283331 419572184 /nfs/dbraw/zinc/57/21/84/419572184.db2.gz IAHBZYWXTPGFRC-UHFFFAOYSA-N 2 2 255.362 -0.441 20 0 CBADLP [NH3+]CCCCC(=O)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000394381423 544580493 /nfs/dbraw/zinc/58/04/93/544580493.db2.gz MAYCGBBTMVEUED-GFCCVEGCSA-N 2 2 254.378 -0.379 20 0 CBADLP [NH3+]CCCCC(=O)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000394381423 544580498 /nfs/dbraw/zinc/58/04/98/544580498.db2.gz MAYCGBBTMVEUED-GFCCVEGCSA-N 2 2 254.378 -0.379 20 0 CBADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)CN1CC[NH2+]CC1=O ZINC000236833873 419574568 /nfs/dbraw/zinc/57/45/68/419574568.db2.gz FPORXEJXIHUHFN-LLVKDONJSA-N 2 2 268.361 -0.981 20 0 CBADLP CC[N@H+]1CCC[C@@H]1CNC(=O)CN1CC[NH2+]CC1=O ZINC000236833873 419574577 /nfs/dbraw/zinc/57/45/77/419574577.db2.gz FPORXEJXIHUHFN-LLVKDONJSA-N 2 2 268.361 -0.981 20 0 CBADLP C[C@H]([NH3+])CCC(=O)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000394382977 544580816 /nfs/dbraw/zinc/58/08/16/544580816.db2.gz UZRFZAGICKLTSV-NWDGAFQWSA-N 2 2 254.378 -0.380 20 0 CBADLP C[C@H]([NH3+])CCC(=O)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000394382977 544580820 /nfs/dbraw/zinc/58/08/20/544580820.db2.gz UZRFZAGICKLTSV-NWDGAFQWSA-N 2 2 254.378 -0.380 20 0 CBADLP CC[C@H](C)[C@H]([NH3+])C(=O)NCC[NH+]1CCN(C(C)=O)CC1 ZINC000237029308 419575931 /nfs/dbraw/zinc/57/59/31/419575931.db2.gz ODMSEUXCSKSCFC-AAEUAGOBSA-N 2 2 284.404 -0.360 20 0 CBADLP C[NH+](C)[C@H]1CCC[C@H](NC(=O)CN2CC[NH2+]CC2=O)C1 ZINC000237048158 419576202 /nfs/dbraw/zinc/57/62/02/419576202.db2.gz CYIYKWAZNLJQSE-RYUDHWBXSA-N 2 2 282.388 -0.593 20 0 CBADLP CC(C)([NH3+])CC(=O)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000394383099 544580987 /nfs/dbraw/zinc/58/09/87/544580987.db2.gz VYMSFNSODJDOQY-LLVKDONJSA-N 2 2 254.378 -0.380 20 0 CBADLP CC(C)([NH3+])CC(=O)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000394383099 544580991 /nfs/dbraw/zinc/58/09/91/544580991.db2.gz VYMSFNSODJDOQY-LLVKDONJSA-N 2 2 254.378 -0.380 20 0 CBADLP Cn1c2ccccc2[nH+]c1CCN(CC[NH3+])C[C@H](O)CO ZINC000662287680 419577180 /nfs/dbraw/zinc/57/71/80/419577180.db2.gz GRNYXIJHSFENNL-LBPRGKRZSA-N 2 2 292.383 -0.270 20 0 CBADLP Cc1cccc2[nH+]c(CN(CC[NH3+])C[C@H](O)CO)cn21 ZINC000662287556 419578047 /nfs/dbraw/zinc/57/80/47/419578047.db2.gz CNDQOKZZQVYACA-ZDUSSCGKSA-N 2 2 278.356 -0.243 20 0 CBADLP Cc1ccc2[nH+]c(CN(CC[NH3+])C[C@H](O)CO)cn2c1 ZINC000662287496 419578159 /nfs/dbraw/zinc/57/81/59/419578159.db2.gz BDPADHYEMNMXCX-ZDUSSCGKSA-N 2 2 278.356 -0.243 20 0 CBADLP C[NH+](C)CCC[C@H]1C[N@@H+]([C@H]2CCNC2=O)CCO1 ZINC000662321544 419584816 /nfs/dbraw/zinc/58/48/16/419584816.db2.gz RZYAXTCHTQDHEF-RYUDHWBXSA-N 2 2 255.362 -0.083 20 0 CBADLP C[NH+](C)CCC[C@H]1C[N@H+]([C@H]2CCNC2=O)CCO1 ZINC000662321544 419584823 /nfs/dbraw/zinc/58/48/23/419584823.db2.gz RZYAXTCHTQDHEF-RYUDHWBXSA-N 2 2 255.362 -0.083 20 0 CBADLP [NH3+]CCn1cc(C(=O)NCCNc2cccc[nH+]2)nn1 ZINC000662372196 419587970 /nfs/dbraw/zinc/58/79/70/419587970.db2.gz UDUCSYLMKVBWRB-UHFFFAOYSA-N 2 2 275.316 -0.526 20 0 CBADLP C[C@H](C[NH2+]C[C@H](O)C[NH+]1CCCCC1)S(C)(=O)=O ZINC000647517973 419597895 /nfs/dbraw/zinc/59/78/95/419597895.db2.gz YEHNWUODVWVACK-NEPJUHHUSA-N 2 2 278.418 -0.144 20 0 CBADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CC(C)(CO)CO)C[C@@H](C)O1 ZINC000647526544 419600955 /nfs/dbraw/zinc/60/09/55/419600955.db2.gz CXENMTAOCYBZHX-JHJVBQTASA-N 2 2 290.404 -0.963 20 0 CBADLP C[N@H+](C[C@@H](O)C[NH2+][C@H]1CCCN(CCO)C1=O)C1CC1 ZINC000647531711 419601559 /nfs/dbraw/zinc/60/15/59/419601559.db2.gz URPRSZYKFBWXCF-STQMWFEESA-N 2 2 285.388 -0.986 20 0 CBADLP C[N@@H+](C[C@@H](O)C[NH2+][C@H]1CCCN(CCO)C1=O)C1CC1 ZINC000647531711 419601564 /nfs/dbraw/zinc/60/15/64/419601564.db2.gz URPRSZYKFBWXCF-STQMWFEESA-N 2 2 285.388 -0.986 20 0 CBADLP C[NH+](C)C1CN(c2cc(-n3cccn3)nc(N)[nH+]2)C1 ZINC000273283230 419602159 /nfs/dbraw/zinc/60/21/59/419602159.db2.gz JJQGXWCUOWKYQQ-UHFFFAOYSA-N 2 2 259.317 -0.005 20 0 CBADLP Cn1cc(C[N@@H+]2CC[C@H]3CC[NH2+][C@@H]3C2)c(=O)n(C)c1=O ZINC000647533043 419603632 /nfs/dbraw/zinc/60/36/32/419603632.db2.gz KFJHUQXSSZGFDK-ZYHUDNBSSA-N 2 2 278.356 -0.732 20 0 CBADLP Cn1cc(C[N@H+]2CC[C@H]3CC[NH2+][C@@H]3C2)c(=O)n(C)c1=O ZINC000647533043 419603639 /nfs/dbraw/zinc/60/36/39/419603639.db2.gz KFJHUQXSSZGFDK-ZYHUDNBSSA-N 2 2 278.356 -0.732 20 0 CBADLP CN(C)C(=O)C[NH+]1CCN(C(=O)CC2([NH3+])CC2)CC1 ZINC000398174432 544584082 /nfs/dbraw/zinc/58/40/82/544584082.db2.gz ZNPOYHVFYIYMHM-UHFFFAOYSA-N 2 2 268.361 -0.900 20 0 CBADLP CNC(=O)[C@H](CO)[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000647526548 419604260 /nfs/dbraw/zinc/60/42/60/419604260.db2.gz GHSCCDWRBVAINN-KBPBESRZSA-N 2 2 295.383 -0.824 20 0 CBADLP CNC(=O)[C@H](CO)[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000647526548 419604265 /nfs/dbraw/zinc/60/42/65/419604265.db2.gz GHSCCDWRBVAINN-KBPBESRZSA-N 2 2 295.383 -0.824 20 0 CBADLP CC(C)OC[C@H]([NH3+])C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000662443684 419606545 /nfs/dbraw/zinc/60/65/45/419606545.db2.gz WEWFLUBALVVJQT-LBPRGKRZSA-N 2 2 287.404 -0.034 20 0 CBADLP CC(C)OC[C@H]([NH3+])C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000662443684 419606551 /nfs/dbraw/zinc/60/65/51/419606551.db2.gz WEWFLUBALVVJQT-LBPRGKRZSA-N 2 2 287.404 -0.034 20 0 CBADLP O=C(NCC1([NH+]2CCOCC2)CCCCC1)C1(O)C[NH2+]C1 ZINC000662446288 419607014 /nfs/dbraw/zinc/60/70/14/419607014.db2.gz ZOBHTCXAIMVRST-UHFFFAOYSA-N 2 2 297.399 -0.528 20 0 CBADLP CO[C@@]1(CO)CCC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000401706105 544585067 /nfs/dbraw/zinc/58/50/67/544585067.db2.gz DRAYDUWQJRNSEG-KGLIPLIRSA-N 2 2 272.389 -0.085 20 0 CBADLP CO[C@@]1(CO)CCC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000401706105 544585069 /nfs/dbraw/zinc/58/50/69/544585069.db2.gz DRAYDUWQJRNSEG-KGLIPLIRSA-N 2 2 272.389 -0.085 20 0 CBADLP CO[C@@]1(CO)CCC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000401706105 544585071 /nfs/dbraw/zinc/58/50/71/544585071.db2.gz DRAYDUWQJRNSEG-KGLIPLIRSA-N 2 2 272.389 -0.085 20 0 CBADLP CO[C@@]1(CO)CCC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000401706105 544585073 /nfs/dbraw/zinc/58/50/73/544585073.db2.gz DRAYDUWQJRNSEG-KGLIPLIRSA-N 2 2 272.389 -0.085 20 0 CBADLP [NH3+]CCn1cc(C(=O)NCCCNc2cccc[nH+]2)nn1 ZINC000662458878 419615045 /nfs/dbraw/zinc/61/50/45/419615045.db2.gz SSZVMMAZCZOYNL-UHFFFAOYSA-N 2 2 289.343 -0.136 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000311177376 419619813 /nfs/dbraw/zinc/61/98/13/419619813.db2.gz WTVUJEPCHIKXAI-UPJWGTAASA-N 3 2 257.378 -0.923 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000311177376 419619817 /nfs/dbraw/zinc/61/98/17/419619817.db2.gz WTVUJEPCHIKXAI-UPJWGTAASA-N 3 2 257.378 -0.923 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(NC(C)=O)CC1 ZINC000310952197 419621314 /nfs/dbraw/zinc/62/13/14/419621314.db2.gz ZASAKWXHTLKXEW-CYBMUJFWSA-N 2 2 257.378 -0.101 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(NC(C)=O)CC1 ZINC000310952197 419621321 /nfs/dbraw/zinc/62/13/21/419621321.db2.gz ZASAKWXHTLKXEW-CYBMUJFWSA-N 2 2 257.378 -0.101 20 0 CBADLP COC(=O)[C@H]1C[C@H](O)C[N@@H+]1CCCc1c[nH+]cn1C ZINC000314321180 419624109 /nfs/dbraw/zinc/62/41/09/419624109.db2.gz HPVYDDFLXXIFQK-NWDGAFQWSA-N 2 2 267.329 -0.039 20 0 CBADLP COC(=O)[C@H]1C[C@H](O)C[N@H+]1CCCc1c[nH+]cn1C ZINC000314321180 419624116 /nfs/dbraw/zinc/62/41/16/419624116.db2.gz HPVYDDFLXXIFQK-NWDGAFQWSA-N 2 2 267.329 -0.039 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000647642867 419630145 /nfs/dbraw/zinc/63/01/45/419630145.db2.gz SMNIKKVLQGUIRN-UHFFFAOYSA-N 2 2 280.372 -0.839 20 0 CBADLP C[C@H](NC(=O)C[N@H+](C1CC1)C1CC[NH2+]CC1)C(=O)N(C)C ZINC000647815312 419661093 /nfs/dbraw/zinc/66/10/93/419661093.db2.gz YTJSQQSVRJRJKA-NSHDSACASA-N 2 2 296.415 -0.204 20 0 CBADLP C[C@H](NC(=O)C[N@@H+](C1CC1)C1CC[NH2+]CC1)C(=O)N(C)C ZINC000647815312 419661100 /nfs/dbraw/zinc/66/11/00/419661100.db2.gz YTJSQQSVRJRJKA-NSHDSACASA-N 2 2 296.415 -0.204 20 0 CBADLP C[C@@H](NC(=O)C[N@H+](C1CC1)C1CC[NH2+]CC1)C(=O)N(C)C ZINC000647815311 419662746 /nfs/dbraw/zinc/66/27/46/419662746.db2.gz YTJSQQSVRJRJKA-LLVKDONJSA-N 2 2 296.415 -0.204 20 0 CBADLP C[C@@H](NC(=O)C[N@@H+](C1CC1)C1CC[NH2+]CC1)C(=O)N(C)C ZINC000647815311 419662749 /nfs/dbraw/zinc/66/27/49/419662749.db2.gz YTJSQQSVRJRJKA-LLVKDONJSA-N 2 2 296.415 -0.204 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H](N)CC[NH+](C)C)[C@@H](C)CO1 ZINC000662635934 419663277 /nfs/dbraw/zinc/66/32/77/419663277.db2.gz WVKFHAXOJCDRJQ-XQQFMLRXSA-N 2 2 286.420 -0.509 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H](N)CC[NH+](C)C)[C@@H](C)CO1 ZINC000662635934 419663284 /nfs/dbraw/zinc/66/32/84/419663284.db2.gz WVKFHAXOJCDRJQ-XQQFMLRXSA-N 2 2 286.420 -0.509 20 0 CBADLP C[C@@H](c1nc(N)nc(N(C)C)n1)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000647829757 419665344 /nfs/dbraw/zinc/66/53/44/419665344.db2.gz UVHHULJCBWVIQI-IUCAKERBSA-N 2 2 265.365 -0.139 20 0 CBADLP C[C@@H](c1nc(N)nc(N(C)C)n1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000647829757 419665349 /nfs/dbraw/zinc/66/53/49/419665349.db2.gz UVHHULJCBWVIQI-IUCAKERBSA-N 2 2 265.365 -0.139 20 0 CBADLP C[N@H+](CCN1CC[NH2+]CC1)Cc1cc(=O)n2[nH]ccc2n1 ZINC000647835734 419665792 /nfs/dbraw/zinc/66/57/92/419665792.db2.gz LTCFIXFJLNAZSA-UHFFFAOYSA-N 2 2 290.371 -0.640 20 0 CBADLP C[N@@H+](CCN1CC[NH2+]CC1)Cc1cc(=O)n2[nH]ccc2n1 ZINC000647835734 419665798 /nfs/dbraw/zinc/66/57/98/419665798.db2.gz LTCFIXFJLNAZSA-UHFFFAOYSA-N 2 2 290.371 -0.640 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCO[C@H]1CC1(F)F ZINC000662644785 419666999 /nfs/dbraw/zinc/66/69/99/419666999.db2.gz DGSPOIACZPDGBI-IUCAKERBSA-N 2 2 265.304 -0.194 20 0 CBADLP C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+](C)CCC[NH3+] ZINC000647848961 419667712 /nfs/dbraw/zinc/66/77/12/419667712.db2.gz BJSPBWQENLKWGP-JTQLQIEISA-N 2 2 270.377 -0.608 20 0 CBADLP C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+](C)CCC[NH3+] ZINC000647848961 419667718 /nfs/dbraw/zinc/66/77/18/419667718.db2.gz BJSPBWQENLKWGP-JTQLQIEISA-N 2 2 270.377 -0.608 20 0 CBADLP CNC(=O)[C@H](NC(=O)C[N@H+](C)CCC[NH3+])c1ccccc1 ZINC000647848354 419668143 /nfs/dbraw/zinc/66/81/43/419668143.db2.gz NFIDPSZYHCOLLY-CQSZACIVSA-N 2 2 292.383 -0.130 20 0 CBADLP CNC(=O)[C@H](NC(=O)C[N@@H+](C)CCC[NH3+])c1ccccc1 ZINC000647848354 419668149 /nfs/dbraw/zinc/66/81/49/419668149.db2.gz NFIDPSZYHCOLLY-CQSZACIVSA-N 2 2 292.383 -0.130 20 0 CBADLP [NH3+][C@@H](CC(F)F)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000662656996 419669394 /nfs/dbraw/zinc/66/93/94/419669394.db2.gz VXAGMOFXVKHHIH-ZJUUUORDSA-N 2 2 277.315 -0.098 20 0 CBADLP CC(C)[C@@H]([NH3+])C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000662656657 419670376 /nfs/dbraw/zinc/67/03/76/419670376.db2.gz RJDDUHPAVHPLLE-VXGBXAGGSA-N 2 2 255.362 -0.097 20 0 CBADLP C[N@H+](CCC[NH3+])CC(=O)N1CCN(c2cnccn2)CC1 ZINC000647847541 419670663 /nfs/dbraw/zinc/67/06/63/419670663.db2.gz SACYVZGOHOQPAS-UHFFFAOYSA-N 2 2 292.387 -0.594 20 0 CBADLP C[N@@H+](CCC[NH3+])CC(=O)N1CCN(c2cnccn2)CC1 ZINC000647847541 419670671 /nfs/dbraw/zinc/67/06/71/419670671.db2.gz SACYVZGOHOQPAS-UHFFFAOYSA-N 2 2 292.387 -0.594 20 0 CBADLP O=C([C@@H]1C[C@]12CC[NH2+]C2)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000662657079 419671705 /nfs/dbraw/zinc/67/17/05/419671705.db2.gz WWKKIQAMLVFOEP-YDHLFZDLSA-N 2 2 279.384 -0.081 20 0 CBADLP O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)C1(O)C[NH2+]C1 ZINC000662662645 419673213 /nfs/dbraw/zinc/67/32/13/419673213.db2.gz ASCTXZWWPKVREM-UHFFFAOYSA-N 2 2 291.351 -0.208 20 0 CBADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)CC2([NH3+])CC2)CC1 ZINC000662670469 419677375 /nfs/dbraw/zinc/67/73/75/419677375.db2.gz FSLQLFXEFQSNFK-NSHDSACASA-N 2 2 294.399 -0.321 20 0 CBADLP O=C(N1CC[NH+](CCc2ccccc2)CC1)C1(O)C[NH2+]C1 ZINC000662670951 419677752 /nfs/dbraw/zinc/67/77/52/419677752.db2.gz OURNEVUZRGUJOU-UHFFFAOYSA-N 2 2 289.379 -0.292 20 0 CBADLP C[C@H]1C[NH+](C(C)(C)CNC(=O)C2(O)C[NH2+]C2)C[C@H](C)O1 ZINC000662671080 419677778 /nfs/dbraw/zinc/67/77/78/419677778.db2.gz LPVSNJPSSARVCV-QWRGUYRKSA-N 2 2 285.388 -0.675 20 0 CBADLP O=C(NCc1cn2cc(Cl)ccc2[nH+]1)C1(O)C[NH2+]C1 ZINC000662672521 419678806 /nfs/dbraw/zinc/67/88/06/419678806.db2.gz AQVXBWDSYFQJBR-UHFFFAOYSA-N 2 2 280.715 -0.062 20 0 CBADLP Cn1nc(C2CC2)nc1CC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000647874448 419680602 /nfs/dbraw/zinc/68/06/02/419680602.db2.gz WSAIWHBLMZQWNV-LLVKDONJSA-N 2 2 292.387 -0.664 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1C[C@@H]2COC[C@]2(C)C1 ZINC000662692329 419685642 /nfs/dbraw/zinc/68/56/42/419685642.db2.gz WGNYWOYDGSXECG-MDZLAQPJSA-N 2 2 255.362 -0.240 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1C[C@H]2COC[C@@]2(C)C1 ZINC000662692318 419686242 /nfs/dbraw/zinc/68/62/42/419686242.db2.gz WGNYWOYDGSXECG-GMXVVIOVSA-N 2 2 255.362 -0.240 20 0 CBADLP CC[C@@H]1C[N@H+](CC(=O)N2CCNC(=O)C2)CC[C@@H]1[NH3+] ZINC000647937927 419690042 /nfs/dbraw/zinc/69/00/42/419690042.db2.gz FDBHQPFFUCGETE-MNOVXSKESA-N 2 2 268.361 -0.996 20 0 CBADLP CC[C@@H]1C[N@@H+](CC(=O)N2CCNC(=O)C2)CC[C@@H]1[NH3+] ZINC000647937927 419690050 /nfs/dbraw/zinc/69/00/50/419690050.db2.gz FDBHQPFFUCGETE-MNOVXSKESA-N 2 2 268.361 -0.996 20 0 CBADLP CC[C@H]1C[N@H+](CC(=O)NCC(=O)N2CCCC2)CC[C@H]1[NH3+] ZINC000647938026 419691117 /nfs/dbraw/zinc/69/11/17/419691117.db2.gz GQHRVKXRYIPAFO-QWHCGFSZSA-N 2 2 296.415 -0.216 20 0 CBADLP CC[C@H]1C[N@@H+](CC(=O)NCC(=O)N2CCCC2)CC[C@H]1[NH3+] ZINC000647938026 419691128 /nfs/dbraw/zinc/69/11/28/419691128.db2.gz GQHRVKXRYIPAFO-QWHCGFSZSA-N 2 2 296.415 -0.216 20 0 CBADLP C[C@@H](NC(=O)C[NH+]1CCC(C)([NH3+])CC1)C(=O)N(C)C ZINC000647925403 419693790 /nfs/dbraw/zinc/69/37/90/419693790.db2.gz HNUIDWHVBFRIOD-SNVBAGLBSA-N 2 2 270.377 -0.608 20 0 CBADLP CCC[N@@H+]1CC[C@@H](NC(=O)CN2CC[NH2+]CC2=O)C1 ZINC000662704018 419693771 /nfs/dbraw/zinc/69/37/71/419693771.db2.gz RQSNFRPPNYCQGD-LLVKDONJSA-N 2 2 268.361 -0.981 20 0 CBADLP CCC[N@H+]1CC[C@@H](NC(=O)CN2CC[NH2+]CC2=O)C1 ZINC000662704018 419693781 /nfs/dbraw/zinc/69/37/81/419693781.db2.gz RQSNFRPPNYCQGD-LLVKDONJSA-N 2 2 268.361 -0.981 20 0 CBADLP COCC[NH2+]CC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000662703009 419694053 /nfs/dbraw/zinc/69/40/53/419694053.db2.gz GKRWKBSIAMIEIT-UHFFFAOYSA-N 2 2 299.415 -0.207 20 0 CBADLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000662715505 419697163 /nfs/dbraw/zinc/69/71/63/419697163.db2.gz UDYLCNMNMCSOAN-VXGBXAGGSA-N 2 2 285.388 -0.423 20 0 CBADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000662715505 419697165 /nfs/dbraw/zinc/69/71/65/419697165.db2.gz UDYLCNMNMCSOAN-VXGBXAGGSA-N 2 2 285.388 -0.423 20 0 CBADLP CNC(=O)[C@@H]1CCC[N@@H+]1C[C@H](O)C[NH+](C)C(C)C ZINC000647960618 419697908 /nfs/dbraw/zinc/69/79/08/419697908.db2.gz AFDQBVZHBBFJIW-NEPJUHHUSA-N 2 2 257.378 -0.102 20 0 CBADLP CNC(=O)[C@@H]1CCC[N@H+]1C[C@H](O)C[NH+](C)C(C)C ZINC000647960618 419697914 /nfs/dbraw/zinc/69/79/14/419697914.db2.gz AFDQBVZHBBFJIW-NEPJUHHUSA-N 2 2 257.378 -0.102 20 0 CBADLP CNC(=O)[C@@H]1CCC[NH+]1C[C@H](O)C[N@H+](C)C(C)C ZINC000647960618 419697919 /nfs/dbraw/zinc/69/79/19/419697919.db2.gz AFDQBVZHBBFJIW-NEPJUHHUSA-N 2 2 257.378 -0.102 20 0 CBADLP CNC(=O)[C@@H]1CCC[NH+]1C[C@H](O)C[N@@H+](C)C(C)C ZINC000647960618 419697926 /nfs/dbraw/zinc/69/79/26/419697926.db2.gz AFDQBVZHBBFJIW-NEPJUHHUSA-N 2 2 257.378 -0.102 20 0 CBADLP C[NH2+][C@@H]1CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000647809821 419657071 /nfs/dbraw/zinc/65/70/71/419657071.db2.gz XGYNAZDQRPNXGI-GFCCVEGCSA-N 3 2 254.378 -0.556 20 0 CBADLP C[NH2+][C@@H]1CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000647809821 419657078 /nfs/dbraw/zinc/65/70/78/419657078.db2.gz XGYNAZDQRPNXGI-GFCCVEGCSA-N 3 2 254.378 -0.556 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000647793274 419657435 /nfs/dbraw/zinc/65/74/35/419657435.db2.gz RNWVBEVIXZJZLR-HZSPNIEDSA-N 3 2 280.416 -0.262 20 0 CBADLP COCC[NH2+]CC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000662630685 419657983 /nfs/dbraw/zinc/65/79/83/419657983.db2.gz MOWGUHQXJXQCIP-NEPJUHHUSA-N 2 2 273.377 -0.552 20 0 CBADLP COCC[NH2+]CC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000662630685 419657986 /nfs/dbraw/zinc/65/79/86/419657986.db2.gz MOWGUHQXJXQCIP-NEPJUHHUSA-N 2 2 273.377 -0.552 20 0 CBADLP CC(C)[NH2+]CC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000662632683 419658224 /nfs/dbraw/zinc/65/82/24/419658224.db2.gz SSOYSJBITNIWFA-UHFFFAOYSA-N 3 2 258.410 -0.016 20 0 CBADLP CC(C)[NH2+]CC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000662632683 419658233 /nfs/dbraw/zinc/65/82/33/419658233.db2.gz SSOYSJBITNIWFA-UHFFFAOYSA-N 3 2 258.410 -0.016 20 0 CBADLP CN(CCCn1cc[nH+]c1)C(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000662939381 419786226 /nfs/dbraw/zinc/78/62/26/419786226.db2.gz FNTIGRNKFBZUST-UHFFFAOYSA-N 2 2 295.387 -0.073 20 0 CBADLP CC[C@H]([NH2+]C)C(=O)N1CC[NH+](CCOCCOC)CC1 ZINC000662833332 419743000 /nfs/dbraw/zinc/74/30/00/419743000.db2.gz NPWCXSRFLQEHDH-ZDUSSCGKSA-N 2 2 287.404 -0.208 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)[C@@H](C)CO1 ZINC000662858704 419753944 /nfs/dbraw/zinc/75/39/44/419753944.db2.gz HMQCJTHJFFCIRA-OBPIAQAESA-N 2 2 267.373 -0.323 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)[C@@H](C)CO1 ZINC000662858704 419753954 /nfs/dbraw/zinc/75/39/54/419753954.db2.gz HMQCJTHJFFCIRA-OBPIAQAESA-N 2 2 267.373 -0.323 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000662857784 419754272 /nfs/dbraw/zinc/75/42/72/419754272.db2.gz PFVQAPZRGKPKMY-TXEJJXNPSA-N 3 2 256.394 -0.277 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000662857784 419754282 /nfs/dbraw/zinc/75/42/82/419754282.db2.gz PFVQAPZRGKPKMY-TXEJJXNPSA-N 3 2 256.394 -0.277 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CCO[C@H]2C[NH3+])[C@@H](C)CO1 ZINC000662861258 419755869 /nfs/dbraw/zinc/75/58/69/419755869.db2.gz ZEHQWTYHCGTFSJ-LOWDOPEQSA-N 2 2 285.388 -0.424 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2CCO[C@H]2C[NH3+])[C@@H](C)CO1 ZINC000662861258 419755875 /nfs/dbraw/zinc/75/58/75/419755875.db2.gz ZEHQWTYHCGTFSJ-LOWDOPEQSA-N 2 2 285.388 -0.424 20 0 CBADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000648150326 419760443 /nfs/dbraw/zinc/76/04/43/419760443.db2.gz WTNJBADYHYIFMK-IMRBUKKESA-N 2 2 294.399 -0.878 20 0 CBADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000648150326 419760451 /nfs/dbraw/zinc/76/04/51/419760451.db2.gz WTNJBADYHYIFMK-IMRBUKKESA-N 2 2 294.399 -0.878 20 0 CBADLP C[C@H](C(=O)N1CC2CC1(C[NH3+])C2)[NH+]1CCN(C)CC1 ZINC000662875273 419762015 /nfs/dbraw/zinc/76/20/15/419762015.db2.gz IBFRIXKTZOCELX-LKSINWNRSA-N 2 2 266.389 -0.428 20 0 CBADLP [NH3+][C@@H]1CN(C(=O)C(=O)N2CC[NH+](C3CC3)CC2)CC[C@H]1F ZINC000662922192 419774794 /nfs/dbraw/zinc/77/47/94/419774794.db2.gz JDSRDPSEBPJMCO-VXGBXAGGSA-N 2 2 298.362 -0.809 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ccnc(OCCO)c1 ZINC000662933085 419781135 /nfs/dbraw/zinc/78/11/35/419781135.db2.gz CRKOLYMEMGRLMZ-NSHDSACASA-N 2 2 282.344 -0.330 20 0 CBADLP O=C(N1CC[NH+](Cc2cccnc2)CC1)C1(O)C[NH2+]C1 ZINC000662785461 419723865 /nfs/dbraw/zinc/72/38/65/419723865.db2.gz IXPRIFCCMMUYNA-UHFFFAOYSA-N 2 2 276.340 -0.940 20 0 CBADLP O=C(NCc1ccccc1-n1cc[nH+]c1)C1(O)C[NH2+]C1 ZINC000662789009 419724704 /nfs/dbraw/zinc/72/47/04/419724704.db2.gz YTDTYMAOCLVDOC-UHFFFAOYSA-N 2 2 272.308 -0.177 20 0 CBADLP C[C@H](CC[N@H+](C)[C@H]1CCNC1=O)[NH+](C)[C@H]1CCNC1=O ZINC000535378889 544602805 /nfs/dbraw/zinc/60/28/05/544602805.db2.gz GAOQYRRASUWTRR-WOPDTQHZSA-N 2 2 282.388 -0.594 20 0 CBADLP C[C@H](CC[N@@H+](C)[C@H]1CCNC1=O)[NH+](C)[C@H]1CCNC1=O ZINC000535378889 544602809 /nfs/dbraw/zinc/60/28/09/544602809.db2.gz GAOQYRRASUWTRR-WOPDTQHZSA-N 2 2 282.388 -0.594 20 0 CBADLP C[C@H](CC[NH+](C)[C@H]1CCNC1=O)[N@H+](C)[C@H]1CCNC1=O ZINC000535378889 544602812 /nfs/dbraw/zinc/60/28/12/544602812.db2.gz GAOQYRRASUWTRR-WOPDTQHZSA-N 2 2 282.388 -0.594 20 0 CBADLP C[C@H](CC[NH+](C)[C@H]1CCNC1=O)[N@@H+](C)[C@H]1CCNC1=O ZINC000535378889 544602816 /nfs/dbraw/zinc/60/28/16/544602816.db2.gz GAOQYRRASUWTRR-WOPDTQHZSA-N 2 2 282.388 -0.594 20 0 CBADLP C[C@H](CC[N@H+](C)[C@@H]1CCNC1=O)[NH+](C)[C@H]1CCNC1=O ZINC000535378888 544603045 /nfs/dbraw/zinc/60/30/45/544603045.db2.gz GAOQYRRASUWTRR-UTUOFQBUSA-N 2 2 282.388 -0.594 20 0 CBADLP C[C@H](CC[N@@H+](C)[C@@H]1CCNC1=O)[NH+](C)[C@H]1CCNC1=O ZINC000535378888 544603046 /nfs/dbraw/zinc/60/30/46/544603046.db2.gz GAOQYRRASUWTRR-UTUOFQBUSA-N 2 2 282.388 -0.594 20 0 CBADLP C[C@H](CC[NH+](C)[C@@H]1CCNC1=O)[N@H+](C)[C@H]1CCNC1=O ZINC000535378888 544603047 /nfs/dbraw/zinc/60/30/47/544603047.db2.gz GAOQYRRASUWTRR-UTUOFQBUSA-N 2 2 282.388 -0.594 20 0 CBADLP C[C@H](CC[NH+](C)[C@@H]1CCNC1=O)[N@@H+](C)[C@H]1CCNC1=O ZINC000535378888 544603049 /nfs/dbraw/zinc/60/30/49/544603049.db2.gz GAOQYRRASUWTRR-UTUOFQBUSA-N 2 2 282.388 -0.594 20 0 CBADLP CCCN1CC[C@@H]([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)C1 ZINC000663366562 419834660 /nfs/dbraw/zinc/83/46/60/419834660.db2.gz WQBBBRODBZYZSI-CABCVRRESA-N 2 2 284.448 -0.331 20 0 CBADLP O=C(NCC[NH+]1CCOCC1)[C@@H]1C[NH2+]CCC1(F)F ZINC000649276390 419857513 /nfs/dbraw/zinc/85/75/13/419857513.db2.gz UBVROZPRFSWADM-JTQLQIEISA-N 2 2 277.315 -0.320 20 0 CBADLP CN(Cc1c[nH+]c[nH]1)C(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000662947841 419789113 /nfs/dbraw/zinc/78/91/13/419789113.db2.gz WZPMHQVXKABXHD-UHFFFAOYSA-N 2 2 281.360 -0.189 20 0 CBADLP CN(Cc1c[nH]c[nH+]1)C(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000662947841 419789116 /nfs/dbraw/zinc/78/91/16/419789116.db2.gz WZPMHQVXKABXHD-UHFFFAOYSA-N 2 2 281.360 -0.189 20 0 CBADLP C[C@@H]1CN(C(=O)C(=O)N(C)Cc2c[nH+]c[nH]2)CC[NH2+]1 ZINC000662952394 419792176 /nfs/dbraw/zinc/79/21/76/419792176.db2.gz FBAVTNIKUJMDAA-SECBINFHSA-N 2 2 265.317 -0.812 20 0 CBADLP C[NH2+]C[C@@H](C)NC(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000662966960 419794655 /nfs/dbraw/zinc/79/46/55/419794655.db2.gz WFSFZRJWXNMWPD-CYBMUJFWSA-N 2 2 291.399 -0.072 20 0 CBADLP C[C@H]1CCCN(C(=O)C(=O)N(C)Cc2c[nH+]c[nH]2)[C@H]1C[NH3+] ZINC000662959166 419794885 /nfs/dbraw/zinc/79/48/85/419794885.db2.gz ZYJYDNJPQLOKOE-JQWIXIFHSA-N 2 2 293.371 -0.046 20 0 CBADLP C[C@H]1CCCN(C(=O)C(=O)N(C)Cc2c[nH]c[nH+]2)[C@H]1C[NH3+] ZINC000662959166 419794887 /nfs/dbraw/zinc/79/48/87/419794887.db2.gz ZYJYDNJPQLOKOE-JQWIXIFHSA-N 2 2 293.371 -0.046 20 0 CBADLP C[NH+](C)Cc1nc(C(C)(C)NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)no1 ZINC000649304269 419869607 /nfs/dbraw/zinc/86/96/07/419869607.db2.gz XLGHXHVPXVZGAL-JZYVYDRUSA-N 2 2 293.371 -0.052 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CCO1 ZINC000649312355 419876005 /nfs/dbraw/zinc/87/60/05/419876005.db2.gz JUUUTXPGAZXIMK-NNYUYHANSA-N 2 2 253.346 -0.711 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CCO1 ZINC000649312355 419876011 /nfs/dbraw/zinc/87/60/11/419876011.db2.gz JUUUTXPGAZXIMK-NNYUYHANSA-N 2 2 253.346 -0.711 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)C[C@H]2CC[NH2+]C2)CCO1 ZINC000649312136 419876510 /nfs/dbraw/zinc/87/65/10/419876510.db2.gz SMDJMUKQCIWSPS-VXGBXAGGSA-N 2 2 255.362 -0.177 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)C[C@H]2CC[NH2+]C2)CCO1 ZINC000649312136 419876518 /nfs/dbraw/zinc/87/65/18/419876518.db2.gz SMDJMUKQCIWSPS-VXGBXAGGSA-N 2 2 255.362 -0.177 20 0 CBADLP C[C@H](CCNC(=O)NC[C@H]1CN(C)CC[N@@H+]1C)[NH+](C)C ZINC000664082228 419879176 /nfs/dbraw/zinc/87/91/76/419879176.db2.gz ACOLMKMNFUVCQO-OLZOCXBDSA-N 2 2 285.436 -0.128 20 0 CBADLP C[C@H](CCNC(=O)NC[C@H]1CN(C)CC[N@H+]1C)[NH+](C)C ZINC000664082228 419879178 /nfs/dbraw/zinc/87/91/78/419879178.db2.gz ACOLMKMNFUVCQO-OLZOCXBDSA-N 2 2 285.436 -0.128 20 0 CBADLP O=C([C@H]1CSC[NH2+]1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000649321351 419883241 /nfs/dbraw/zinc/88/32/41/419883241.db2.gz VAMACHVMIQIOTK-IJLUTSLNSA-N 2 2 285.413 -0.294 20 0 CBADLP C[C@@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)[C@H](C)[NH+]1CCOCC1 ZINC000649323214 419887464 /nfs/dbraw/zinc/88/74/64/419887464.db2.gz NPUBAKIFIKVQCB-MLGHIDQZSA-N 2 2 267.373 -0.038 20 0 CBADLP C[C@H]([C@H](C)NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)[NH+]1CCOCC1 ZINC000649323213 419888157 /nfs/dbraw/zinc/88/81/57/419888157.db2.gz NPUBAKIFIKVQCB-CLPYTZEMSA-N 2 2 267.373 -0.038 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C3([NH3+])CC3)C2)CC1 ZINC000649334034 419892315 /nfs/dbraw/zinc/89/23/15/419892315.db2.gz CYNRKPWKWJINIM-NSHDSACASA-N 3 2 266.389 -0.238 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C3([NH3+])CC3)C2)CC1 ZINC000649334034 419892321 /nfs/dbraw/zinc/89/23/21/419892321.db2.gz CYNRKPWKWJINIM-NSHDSACASA-N 3 2 266.389 -0.238 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@@H]2[NH2+]CC2(C)C)CC1 ZINC000649283175 419861092 /nfs/dbraw/zinc/86/10/92/419861092.db2.gz SPVVNWCGJAIJIM-NSHDSACASA-N 2 2 255.362 -0.225 20 0 CBADLP COCC(COC)[NH+]1CCN(C(=O)[C@H](C)[NH+](C)C)CC1 ZINC000665944801 544619666 /nfs/dbraw/zinc/61/96/66/544619666.db2.gz SUJLHRAZRLNDBZ-LBPRGKRZSA-N 2 2 287.404 -0.258 20 0 CBADLP CN(CC1C[NH+](C)C1)c1nc2c(cnn2C)c(N)[nH+]1 ZINC000664330153 419898299 /nfs/dbraw/zinc/89/82/99/419898299.db2.gz JPPPXIYRVCNNPM-UHFFFAOYSA-N 2 2 261.333 -0.057 20 0 CBADLP O[C@@H]1C[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C[C@@H]1O ZINC000667648932 544669265 /nfs/dbraw/zinc/66/92/65/544669265.db2.gz DVSBXRDZQIEMDO-BETUJISGSA-N 2 2 260.297 -0.195 20 0 CBADLP O[C@@H]1C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C[C@@H]1O ZINC000667648932 544669267 /nfs/dbraw/zinc/66/92/67/544669267.db2.gz DVSBXRDZQIEMDO-BETUJISGSA-N 2 2 260.297 -0.195 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CO[C@H](C3CC3)C2)CC1 ZINC000667813695 544674210 /nfs/dbraw/zinc/67/42/10/544674210.db2.gz WWVPDLLWZJQJKZ-STQMWFEESA-N 2 2 267.373 -0.083 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C1([NH+](C)C)CC1 ZINC000666429211 544637257 /nfs/dbraw/zinc/63/72/57/544637257.db2.gz GBJDMBGEPQWYEY-LLVKDONJSA-N 2 2 255.362 -0.083 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C1([NH+](C)C)CC1 ZINC000666429212 544638246 /nfs/dbraw/zinc/63/82/46/544638246.db2.gz GBJDMBGEPQWYEY-NSHDSACASA-N 2 2 255.362 -0.083 20 0 CBADLP C[NH+](C)C1CC[NH+](CCNC(=O)NC/C=C\CO)CC1 ZINC000664537544 419907455 /nfs/dbraw/zinc/90/74/55/419907455.db2.gz OGMIZULKUZJUEJ-ARJAWSKDSA-N 2 2 284.404 -0.140 20 0 CBADLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@H]2C[C@H](O)C2)CC1 ZINC000664538886 419907582 /nfs/dbraw/zinc/90/75/82/419907582.db2.gz IRYFGAQPBOUAOC-AULYBMBSSA-N 2 2 284.404 -0.165 20 0 CBADLP O=C(C[NH+]1CCCC1)N1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000649412543 419909167 /nfs/dbraw/zinc/90/91/67/419909167.db2.gz RYCOACAIRQMJME-CQSZACIVSA-N 3 2 280.416 -0.164 20 0 CBADLP C(C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)N1CC[NH2+]CC1 ZINC000649413785 419909225 /nfs/dbraw/zinc/90/92/25/419909225.db2.gz DKEIFJFRVILNSA-OAHLLOKOSA-N 3 2 282.432 -0.454 20 0 CBADLP C(C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)N1CC[NH2+]CC1 ZINC000649413785 419909230 /nfs/dbraw/zinc/90/92/30/419909230.db2.gz DKEIFJFRVILNSA-OAHLLOKOSA-N 3 2 282.432 -0.454 20 0 CBADLP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)NCC[NH+]1CCOCC1 ZINC000668167366 544686419 /nfs/dbraw/zinc/68/64/19/544686419.db2.gz NYKDNBZDJXQVKM-RYUDHWBXSA-N 2 2 288.367 -0.340 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C1([NH+](C)C)CC1 ZINC000668255382 544690030 /nfs/dbraw/zinc/69/00/30/544690030.db2.gz ZQTZDJCNYGNXDO-LLVKDONJSA-N 2 2 255.362 -0.083 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C1([NH+](C)C)CC1 ZINC000668255382 544690034 /nfs/dbraw/zinc/69/00/34/544690034.db2.gz ZQTZDJCNYGNXDO-LLVKDONJSA-N 2 2 255.362 -0.083 20 0 CBADLP C[C@H](C[NH+]1CCOC[C@@H](O)C1)C[N@@H+]1CCOC[C@H](O)C1 ZINC000664774344 419915945 /nfs/dbraw/zinc/91/59/45/419915945.db2.gz MYGMWHZFHZTZFP-BTTYYORXSA-N 2 2 288.388 -0.991 20 0 CBADLP C[C@H](C[NH+]1CCOC[C@@H](O)C1)C[N@H+]1CCOC[C@H](O)C1 ZINC000664774344 419915947 /nfs/dbraw/zinc/91/59/47/419915947.db2.gz MYGMWHZFHZTZFP-BTTYYORXSA-N 2 2 288.388 -0.991 20 0 CBADLP C[C@@H](C[NH+]1CCOC[C@H](O)C1)C[N@@H+]1CCOC[C@@H](O)C1 ZINC000664774344 419915950 /nfs/dbraw/zinc/91/59/50/419915950.db2.gz MYGMWHZFHZTZFP-BTTYYORXSA-N 2 2 288.388 -0.991 20 0 CBADLP C[C@@H](C[NH+]1CCOC[C@H](O)C1)C[N@H+]1CCOC[C@@H](O)C1 ZINC000664774344 419915955 /nfs/dbraw/zinc/91/59/55/419915955.db2.gz MYGMWHZFHZTZFP-BTTYYORXSA-N 2 2 288.388 -0.991 20 0 CBADLP C[C@@H]1C[C@H](C(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)CC[NH2+]1 ZINC000358693806 419913445 /nfs/dbraw/zinc/91/34/45/419913445.db2.gz QUUJUTQONCUFLU-VXGBXAGGSA-N 2 2 296.415 -0.217 20 0 CBADLP CN(C(=O)[C@@H]1CC(=O)N1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000668616644 544711906 /nfs/dbraw/zinc/71/19/06/544711906.db2.gz FZYJAZIORFMZGO-STQMWFEESA-N 2 2 294.399 -0.498 20 0 CBADLP CN(C(=O)[C@@H]1CC(=O)N1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000668616644 544711908 /nfs/dbraw/zinc/71/19/08/544711908.db2.gz FZYJAZIORFMZGO-STQMWFEESA-N 2 2 294.399 -0.498 20 0 CBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C[C@@H]1CC(=O)N1 ZINC000668688544 544716603 /nfs/dbraw/zinc/71/66/03/544716603.db2.gz PCIVQRIYLJSORA-LBPRGKRZSA-N 2 2 296.415 -0.251 20 0 CBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C[C@@H]1CC(=O)N1 ZINC000668688544 544716606 /nfs/dbraw/zinc/71/66/06/544716606.db2.gz PCIVQRIYLJSORA-LBPRGKRZSA-N 2 2 296.415 -0.251 20 0 CBADLP C[C@@H]1[C@H](O)CC[NH+]1CC(O)C[N@H+]1CC[C@@H](O)[C@H]1C ZINC000664779161 419915808 /nfs/dbraw/zinc/91/58/08/419915808.db2.gz YUUKNEVAGRMLJD-FPQZTECRSA-N 2 2 258.362 -0.743 20 0 CBADLP C[C@@H]1[C@H](O)CC[NH+]1CC(O)C[N@@H+]1CC[C@@H](O)[C@H]1C ZINC000664779161 419915814 /nfs/dbraw/zinc/91/58/14/419915814.db2.gz YUUKNEVAGRMLJD-FPQZTECRSA-N 2 2 258.362 -0.743 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000669461720 544749139 /nfs/dbraw/zinc/74/91/39/544749139.db2.gz WVKBHOMLSDWKAU-MCIONIFRSA-N 2 2 296.415 -0.042 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000669461720 544749142 /nfs/dbraw/zinc/74/91/42/544749142.db2.gz WVKBHOMLSDWKAU-MCIONIFRSA-N 2 2 296.415 -0.042 20 0 CBADLP C[N@@H+]1CCN(C(=O)N[C@H]2CC[NH+](CC3CC3)C2)[C@H](C[NH3+])C1 ZINC000669491022 544750198 /nfs/dbraw/zinc/75/01/98/544750198.db2.gz IPBUOFCTNFIDHQ-UONOGXRCSA-N 3 2 295.431 -0.245 20 0 CBADLP C[N@H+]1CCN(C(=O)N[C@H]2CC[NH+](CC3CC3)C2)[C@H](C[NH3+])C1 ZINC000669491022 544750203 /nfs/dbraw/zinc/75/02/03/544750203.db2.gz IPBUOFCTNFIDHQ-UONOGXRCSA-N 3 2 295.431 -0.245 20 0 CBADLP C[NH+]1CCN(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)[C@H](C[NH3+])C1 ZINC000669491022 544750208 /nfs/dbraw/zinc/75/02/08/544750208.db2.gz IPBUOFCTNFIDHQ-UONOGXRCSA-N 3 2 295.431 -0.245 20 0 CBADLP C[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)[C@H](C[NH3+])C1 ZINC000669491022 544750211 /nfs/dbraw/zinc/75/02/11/544750211.db2.gz IPBUOFCTNFIDHQ-UONOGXRCSA-N 3 2 295.431 -0.245 20 0 CBADLP C[C@H](NC(=O)NCC(F)(F)C[NH3+])[C@H]1C[N@H+](C)CCO1 ZINC000669538514 544754309 /nfs/dbraw/zinc/75/43/09/544754309.db2.gz VCVVWMFXEPTEMM-DTWKUNHWSA-N 2 2 280.319 -0.401 20 0 CBADLP C[C@H](NC(=O)NCC(F)(F)C[NH3+])[C@H]1C[N@@H+](C)CCO1 ZINC000669538514 544754311 /nfs/dbraw/zinc/75/43/11/544754311.db2.gz VCVVWMFXEPTEMM-DTWKUNHWSA-N 2 2 280.319 -0.401 20 0 CBADLP C[C@H](CC[N@@H+]1CCOC[C@H](O)C1)[NH+]1CCOC[C@H](O)C1 ZINC000664772697 419916428 /nfs/dbraw/zinc/91/64/28/419916428.db2.gz IMPBLEYWHLPHMR-MGPQQGTHSA-N 2 2 288.388 -0.849 20 0 CBADLP C[C@H](CC[N@H+]1CCOC[C@H](O)C1)[NH+]1CCOC[C@H](O)C1 ZINC000664772697 419916435 /nfs/dbraw/zinc/91/64/35/419916435.db2.gz IMPBLEYWHLPHMR-MGPQQGTHSA-N 2 2 288.388 -0.849 20 0 CBADLP C[C@H](CC[NH+]1CCOC[C@H](O)C1)[N@@H+]1CCOC[C@H](O)C1 ZINC000664772697 419916438 /nfs/dbraw/zinc/91/64/38/419916438.db2.gz IMPBLEYWHLPHMR-MGPQQGTHSA-N 2 2 288.388 -0.849 20 0 CBADLP C[C@H](CC[NH+]1CCOC[C@H](O)C1)[N@H+]1CCOC[C@H](O)C1 ZINC000664772697 419916443 /nfs/dbraw/zinc/91/64/43/419916443.db2.gz IMPBLEYWHLPHMR-MGPQQGTHSA-N 2 2 288.388 -0.849 20 0 CBADLP CNS(=O)(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000671673362 544829276 /nfs/dbraw/zinc/82/92/76/544829276.db2.gz BPXPESBIOPXVLJ-UHFFFAOYSA-N 2 2 278.422 -0.592 20 0 CBADLP CNS(=O)(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000671673362 544829279 /nfs/dbraw/zinc/82/92/79/544829279.db2.gz BPXPESBIOPXVLJ-UHFFFAOYSA-N 2 2 278.422 -0.592 20 0 CBADLP C[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)CC1 ZINC000670545939 544796711 /nfs/dbraw/zinc/79/67/11/544796711.db2.gz YPNRPQZVXWJCTG-UHFFFAOYSA-N 2 2 294.399 -0.497 20 0 CBADLP CC(=O)[C@@](C)(O)C[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649684992 419927231 /nfs/dbraw/zinc/92/72/31/419927231.db2.gz KBOIWHRWQDVFEP-ZDUSSCGKSA-N 2 2 271.361 -0.968 20 0 CBADLP CC(=O)[C@@](C)(O)C[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649684992 419927234 /nfs/dbraw/zinc/92/72/34/419927234.db2.gz KBOIWHRWQDVFEP-ZDUSSCGKSA-N 2 2 271.361 -0.968 20 0 CBADLP CO[C@H]1CC[N@H+](CCC(=O)N2CCOCC2)[C@@H](C[NH3+])C1 ZINC000359038655 419937936 /nfs/dbraw/zinc/93/79/36/419937936.db2.gz GBXITEHVDBFTAW-OLZOCXBDSA-N 2 2 285.388 -0.327 20 0 CBADLP CO[C@H]1CC[N@@H+](CCC(=O)N2CCOCC2)[C@@H](C[NH3+])C1 ZINC000359038655 419937940 /nfs/dbraw/zinc/93/79/40/419937940.db2.gz GBXITEHVDBFTAW-OLZOCXBDSA-N 2 2 285.388 -0.327 20 0 CBADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCC[N@H+](C)CC1 ZINC000359012881 419938623 /nfs/dbraw/zinc/93/86/23/419938623.db2.gz PEQHBEWJLBTSFK-CQSZACIVSA-N 2 2 297.447 -0.031 20 0 CBADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCC[N@@H+](C)CC1 ZINC000359012881 419938628 /nfs/dbraw/zinc/93/86/28/419938628.db2.gz PEQHBEWJLBTSFK-CQSZACIVSA-N 2 2 297.447 -0.031 20 0 CBADLP CO[C@@H]1CC[N@H+](CCC(=O)N2CCOCC2)[C@@H](C[NH3+])C1 ZINC000359038653 419939018 /nfs/dbraw/zinc/93/90/18/419939018.db2.gz GBXITEHVDBFTAW-CHWSQXEVSA-N 2 2 285.388 -0.327 20 0 CBADLP CO[C@@H]1CC[N@@H+](CCC(=O)N2CCOCC2)[C@@H](C[NH3+])C1 ZINC000359038653 419939021 /nfs/dbraw/zinc/93/90/21/419939021.db2.gz GBXITEHVDBFTAW-CHWSQXEVSA-N 2 2 285.388 -0.327 20 0 CBADLP Cn1c[nH+]cc1CNC(=O)NCCOCC[NH+](C)C ZINC000359143979 419944186 /nfs/dbraw/zinc/94/41/86/419944186.db2.gz NRPGRPQMKMAFGX-UHFFFAOYSA-N 2 2 269.349 -0.203 20 0 CBADLP C[NH+](C)C1(C(=O)NCCCN2CC[NH+](C)CC2)CC1 ZINC000665489949 419952358 /nfs/dbraw/zinc/95/23/58/419952358.db2.gz JHKUYRXNAGKJKQ-UHFFFAOYSA-N 2 2 268.405 -0.166 20 0 CBADLP CN1CC[NH+](CCCNC(=O)C2([NH+](C)C)CC2)CC1 ZINC000665489949 419952366 /nfs/dbraw/zinc/95/23/66/419952366.db2.gz JHKUYRXNAGKJKQ-UHFFFAOYSA-N 2 2 268.405 -0.166 20 0 CBADLP CCC[N@H+](C)CC(=O)NCC[NH+]1CCN(C(C)=O)CC1 ZINC000359332538 419960391 /nfs/dbraw/zinc/96/03/91/419960391.db2.gz OUOWFIXDPYOHAE-UHFFFAOYSA-N 2 2 284.404 -0.392 20 0 CBADLP CCC[N@@H+](C)CC(=O)NCC[NH+]1CCN(C(C)=O)CC1 ZINC000359332538 419960397 /nfs/dbraw/zinc/96/03/97/419960397.db2.gz OUOWFIXDPYOHAE-UHFFFAOYSA-N 2 2 284.404 -0.392 20 0 CBADLP C[C@H](C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)[NH+]1CCOCC1 ZINC000359427763 419964088 /nfs/dbraw/zinc/96/40/88/419964088.db2.gz GQFUPLXHRSPICK-UTUOFQBUSA-N 2 2 253.346 -0.615 20 0 CBADLP C[C@H]1CCC[N@H+](Cc2cn(CC(N)=O)nn2)[C@H]1CC[NH3+] ZINC000650711880 419966376 /nfs/dbraw/zinc/96/63/76/419966376.db2.gz HEMSEZNGYSHLES-JQWIXIFHSA-N 2 2 280.376 -0.287 20 0 CBADLP C[C@H]1CCC[N@@H+](Cc2cn(CC(N)=O)nn2)[C@H]1CC[NH3+] ZINC000650711880 419966381 /nfs/dbraw/zinc/96/63/81/419966381.db2.gz HEMSEZNGYSHLES-JQWIXIFHSA-N 2 2 280.376 -0.287 20 0 CBADLP NC(=O)[C@H]1C[C@@H]([NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000650743453 419967607 /nfs/dbraw/zinc/96/76/07/419967607.db2.gz TXILOTCLVQTNTP-USZNOCQGSA-N 2 2 253.346 -0.393 20 0 CBADLP CCn1cc[nH+]c1CNC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000651131334 419986939 /nfs/dbraw/zinc/98/69/39/419986939.db2.gz MXHHTJCBQZCXJC-GFCCVEGCSA-N 2 2 293.371 -0.137 20 0 CBADLP CCn1cc[nH+]c1CNC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000651131334 419986942 /nfs/dbraw/zinc/98/69/42/419986942.db2.gz MXHHTJCBQZCXJC-GFCCVEGCSA-N 2 2 293.371 -0.137 20 0 CBADLP CCC[N@H+](C)CC(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000359807061 419989300 /nfs/dbraw/zinc/98/93/00/419989300.db2.gz RGQIBRSDACEUKU-AWEZNQCLSA-N 2 2 287.404 -0.472 20 0 CBADLP CCC[N@@H+](C)CC(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000359807061 419989303 /nfs/dbraw/zinc/98/93/03/419989303.db2.gz RGQIBRSDACEUKU-AWEZNQCLSA-N 2 2 287.404 -0.472 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000359954042 419998371 /nfs/dbraw/zinc/99/83/71/419998371.db2.gz IABXHSMERCLNDK-STQMWFEESA-N 2 2 285.388 -0.456 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000359954042 419998376 /nfs/dbraw/zinc/99/83/76/419998376.db2.gz IABXHSMERCLNDK-STQMWFEESA-N 2 2 285.388 -0.456 20 0 CBADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@H]1CSC[NH2+]1 ZINC000360172894 420006693 /nfs/dbraw/zinc/00/66/93/420006693.db2.gz ZHWYHDNBIWLMQI-GHMZBOCLSA-N 2 2 272.418 -0.599 20 0 CBADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000360142643 420008565 /nfs/dbraw/zinc/00/85/65/420008565.db2.gz NYQVVNJBIYZRRA-STQMWFEESA-N 2 2 284.404 -0.931 20 0 CBADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000360142643 420008568 /nfs/dbraw/zinc/00/85/68/420008568.db2.gz NYQVVNJBIYZRRA-STQMWFEESA-N 2 2 284.404 -0.931 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](C)N2CC[NH+](C)CC2)C1 ZINC000360223929 420011368 /nfs/dbraw/zinc/01/13/68/420011368.db2.gz CTTYVLOERNKSRD-KGLIPLIRSA-N 2 2 298.431 -0.541 20 0 CBADLP O[C@@H]1CC[N@@H+](C2CN(c3cc(-n4cc[nH+]c4)ncn3)C2)C1 ZINC000651452564 420014082 /nfs/dbraw/zinc/01/40/82/420014082.db2.gz PYSLODMCLWIHBQ-GFCCVEGCSA-N 2 2 286.339 -0.083 20 0 CBADLP O[C@@H]1CC[N@H+](C2CN(c3cc(-n4cc[nH+]c4)ncn3)C2)C1 ZINC000651452564 420014085 /nfs/dbraw/zinc/01/40/85/420014085.db2.gz PYSLODMCLWIHBQ-GFCCVEGCSA-N 2 2 286.339 -0.083 20 0 CBADLP C[C@](O)(CNc1[nH+]cnc2[nH]ccc21)C[NH+]1CCOCC1 ZINC000361095990 420018983 /nfs/dbraw/zinc/01/89/83/420018983.db2.gz KUFSNYXSVXWRNB-AWEZNQCLSA-N 2 2 291.355 0.453 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+]1CCN(C[C@@H]2C[NH+](C)CCO2)C[C@H]1C ZINC000361754938 420021322 /nfs/dbraw/zinc/02/13/22/420021322.db2.gz IVSWGSOENNJZMN-HZSPNIEDSA-N 2 2 298.431 -0.413 20 0 CBADLP CC[C@H](C(N)=O)[N@H+]1CCN(C[C@@H]2C[NH+](C)CCO2)C[C@H]1C ZINC000361754938 420021324 /nfs/dbraw/zinc/02/13/24/420021324.db2.gz IVSWGSOENNJZMN-HZSPNIEDSA-N 2 2 298.431 -0.413 20 0 CBADLP CC[C@H](C(N)=O)[NH+]1CCN(C[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC000361754938 420021326 /nfs/dbraw/zinc/02/13/26/420021326.db2.gz IVSWGSOENNJZMN-HZSPNIEDSA-N 2 2 298.431 -0.413 20 0 CBADLP CC[C@H](C(N)=O)[NH+]1CCN(C[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC000361754938 420021329 /nfs/dbraw/zinc/02/13/29/420021329.db2.gz IVSWGSOENNJZMN-HZSPNIEDSA-N 2 2 298.431 -0.413 20 0 CBADLP C[NH+](C)CC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364231778 420034288 /nfs/dbraw/zinc/03/42/88/420034288.db2.gz QTCCOKWVSJOAGR-LBPRGKRZSA-N 3 2 268.405 -0.167 20 0 CBADLP C[NH+](C)CC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364231778 420034294 /nfs/dbraw/zinc/03/42/94/420034294.db2.gz QTCCOKWVSJOAGR-LBPRGKRZSA-N 3 2 268.405 -0.167 20 0 CBADLP C[NH+](C)CC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000364231778 420034297 /nfs/dbraw/zinc/03/42/97/420034297.db2.gz QTCCOKWVSJOAGR-LBPRGKRZSA-N 2 2 268.405 -0.167 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2C[C@H](O)C3(CC3)C2)CC1 ZINC000364312230 420034761 /nfs/dbraw/zinc/03/47/61/420034761.db2.gz BNLDSRBMDDFJIW-OLZOCXBDSA-N 2 2 281.400 -0.004 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2C[C@H](O)C3(CC3)C2)CC1 ZINC000364312230 420034765 /nfs/dbraw/zinc/03/47/65/420034765.db2.gz BNLDSRBMDDFJIW-OLZOCXBDSA-N 2 2 281.400 -0.004 20 0 CBADLP CC[N@@H+]1CCO[C@H](CN2CC[NH+](CCOC)CC2)C1 ZINC000364429026 420037108 /nfs/dbraw/zinc/03/71/08/420037108.db2.gz RIGFWUKROGJPRX-AWEZNQCLSA-N 2 2 271.405 -0.029 20 0 CBADLP CC[N@H+]1CCO[C@H](CN2CC[NH+](CCOC)CC2)C1 ZINC000364429026 420037116 /nfs/dbraw/zinc/03/71/16/420037116.db2.gz RIGFWUKROGJPRX-AWEZNQCLSA-N 2 2 271.405 -0.029 20 0 CBADLP C[N@@H+]1CCN(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)[C@H](C[NH3+])C1 ZINC000652229234 420053232 /nfs/dbraw/zinc/05/32/32/420053232.db2.gz HUYIKIOMVLNKJV-KKOKHZNYSA-N 2 2 268.361 -0.409 20 0 CBADLP C[N@H+]1CCN(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)[C@H](C[NH3+])C1 ZINC000652229234 420053235 /nfs/dbraw/zinc/05/32/35/420053235.db2.gz HUYIKIOMVLNKJV-KKOKHZNYSA-N 2 2 268.361 -0.409 20 0 CBADLP COC(=O)[C@H]1C[C@H](NC(=O)C[NH2+]CC2CC2)C[NH2+]1 ZINC000365097796 420055212 /nfs/dbraw/zinc/05/52/12/420055212.db2.gz GBMLFCYHCWOKJK-VHSXEESVSA-N 2 2 255.318 -0.994 20 0 CBADLP O=C(NCC1([NH+]2CCOCC2)CCCC1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000365311277 420058053 /nfs/dbraw/zinc/05/80/53/420058053.db2.gz RHCWURXGCKTTKO-QWHCGFSZSA-N 2 2 297.399 -0.530 20 0 CBADLP CCC[C@](C)([NH3+])C(=O)N[C@@H]1C[NH2+][C@@H](C(=O)OC)C1 ZINC000365692410 420065150 /nfs/dbraw/zinc/06/51/50/420065150.db2.gz BFTIZOARVIIROR-SBMIAAHKSA-N 2 2 257.334 -0.476 20 0 CBADLP O=C(CCCn1cc[nH+]c1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000652888563 420095126 /nfs/dbraw/zinc/09/51/26/420095126.db2.gz MOWAJGBLTZFJRR-CYBMUJFWSA-N 2 2 278.356 -0.059 20 0 CBADLP O=C(CCCn1cc[nH+]c1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000652888563 420095128 /nfs/dbraw/zinc/09/51/28/420095128.db2.gz MOWAJGBLTZFJRR-CYBMUJFWSA-N 2 2 278.356 -0.059 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000652890464 420095765 /nfs/dbraw/zinc/09/57/65/420095765.db2.gz AAKPMMIDWDSUCL-GXTWGEPZSA-N 2 2 297.399 -0.768 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000652890464 420095768 /nfs/dbraw/zinc/09/57/68/420095768.db2.gz AAKPMMIDWDSUCL-GXTWGEPZSA-N 2 2 297.399 -0.768 20 0 CBADLP C[C@H]1[NH2+]CCC[C@H]1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000367370891 420103994 /nfs/dbraw/zinc/10/39/94/420103994.db2.gz NCRNAYWPZDYPLV-GRYCIOLGSA-N 2 2 255.362 -0.179 20 0 CBADLP C[C@H]1[NH2+]CCC[C@H]1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000367370891 420103997 /nfs/dbraw/zinc/10/39/97/420103997.db2.gz NCRNAYWPZDYPLV-GRYCIOLGSA-N 2 2 255.362 -0.179 20 0 CBADLP O=C(C[N@@H+]1CCc2sccc2C1)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000367476991 420108249 /nfs/dbraw/zinc/10/82/49/420108249.db2.gz LRGXNGSUDFAXII-RYUDHWBXSA-N 2 2 295.408 -0.197 20 0 CBADLP O=C(C[N@H+]1CCc2sccc2C1)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000367476991 420108253 /nfs/dbraw/zinc/10/82/53/420108253.db2.gz LRGXNGSUDFAXII-RYUDHWBXSA-N 2 2 295.408 -0.197 20 0 CBADLP CCCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)[C@@H]1CC[NH2+]C1 ZINC000653049148 420109936 /nfs/dbraw/zinc/10/99/36/420109936.db2.gz WEWLSSCOJLKSKT-VXGBXAGGSA-N 3 2 256.394 -0.134 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCCOC[C@@H]1CCCO1 ZINC000653061882 420111041 /nfs/dbraw/zinc/11/10/41/420111041.db2.gz DBPORFABOKOPKN-STQMWFEESA-N 2 2 287.404 -0.033 20 0 CBADLP COCCN(CCOC)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653056347 420111386 /nfs/dbraw/zinc/11/13/86/420111386.db2.gz BFVQRGAKAIWSKQ-LLVKDONJSA-N 2 2 261.366 -0.613 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000653052459 420111461 /nfs/dbraw/zinc/11/14/61/420111461.db2.gz GEKUQMOOEWKWIO-SRVKXCTJSA-N 3 2 256.394 -0.101 20 0 CBADLP C[C@H](CNC(=O)[C@H]([NH3+])CC[NH+](C)C)Cn1cccn1 ZINC000653073250 420112639 /nfs/dbraw/zinc/11/26/39/420112639.db2.gz WYHUKKOLKGMWMC-VXGBXAGGSA-N 2 2 267.377 -0.086 20 0 CBADLP C[C@@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C(=O)NC(C)(C)C ZINC000653078217 420113312 /nfs/dbraw/zinc/11/33/12/420113312.db2.gz ZOVGTQFAALBURX-ZJUUUORDSA-N 2 2 272.393 -0.315 20 0 CBADLP COC[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000367653165 420113495 /nfs/dbraw/zinc/11/34/95/420113495.db2.gz LVJPATMXGHSOJP-XQQFMLRXSA-N 2 2 285.388 -0.280 20 0 CBADLP CC(C)CN(CC(N)=O)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653071439 420113604 /nfs/dbraw/zinc/11/36/04/420113604.db2.gz HUCFWISPGVZFAI-SNVBAGLBSA-N 2 2 258.366 -0.765 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N(CC(N)=O)Cc1ccccc1 ZINC000653089920 420114786 /nfs/dbraw/zinc/11/47/86/420114786.db2.gz YJFCRJRPLCZTMI-ZDUSSCGKSA-N 2 2 292.383 -0.221 20 0 CBADLP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653105145 420115882 /nfs/dbraw/zinc/11/58/82/420115882.db2.gz HSVWKIDIQVPUAN-NWDGAFQWSA-N 3 2 256.394 -0.134 20 0 CBADLP CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653105145 420115885 /nfs/dbraw/zinc/11/58/85/420115885.db2.gz HSVWKIDIQVPUAN-NWDGAFQWSA-N 3 2 256.394 -0.134 20 0 CBADLP CC(C)[NH+]1CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653108434 420115968 /nfs/dbraw/zinc/11/59/68/420115968.db2.gz XLMFRBVYJYKDDS-LBPRGKRZSA-N 3 2 256.394 -0.182 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000653110692 420116463 /nfs/dbraw/zinc/11/64/63/420116463.db2.gz QUAMFLWHUGLTBN-YPMHNXCESA-N 3 2 288.461 -0.181 20 0 CBADLP C[NH+](C)CC[C@@H](N)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000653112119 420117086 /nfs/dbraw/zinc/11/70/86/420117086.db2.gz MFASXCZUZQORJB-ZIAGYGMSSA-N 2 2 298.431 -0.411 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000653102147 420117139 /nfs/dbraw/zinc/11/71/39/420117139.db2.gz OYSZBBMJYTVTAF-WDEREUQCSA-N 2 2 284.404 -0.219 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000653115199 420118522 /nfs/dbraw/zinc/11/85/22/420118522.db2.gz GNVFCOTVUKYMLQ-OLZOCXBDSA-N 3 2 268.405 -0.038 20 0 CBADLP O=C(NCCc1[nH]cc[nH+]1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653119728 420118612 /nfs/dbraw/zinc/11/86/12/420118612.db2.gz UNOPPDHTKNCVJA-CABZTGNLSA-N 2 2 250.302 -0.696 20 0 CBADLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653116730 420118783 /nfs/dbraw/zinc/11/87/83/420118783.db2.gz QJELLKYKAPAHBH-WFASDCNBSA-N 2 2 297.399 -0.551 20 0 CBADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653116730 420118787 /nfs/dbraw/zinc/11/87/87/420118787.db2.gz QJELLKYKAPAHBH-WFASDCNBSA-N 2 2 297.399 -0.551 20 0 CBADLP CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000653117131 420119867 /nfs/dbraw/zinc/11/98/67/420119867.db2.gz AMXHAPOYZXQDAN-QWHCGFSZSA-N 3 2 268.405 -0.040 20 0 CBADLP CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000653117131 420119871 /nfs/dbraw/zinc/11/98/71/420119871.db2.gz AMXHAPOYZXQDAN-QWHCGFSZSA-N 3 2 268.405 -0.040 20 0 CBADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653124016 420119899 /nfs/dbraw/zinc/11/98/99/420119899.db2.gz OEZWCFQYPYOEGY-RAIGVLPGSA-N 3 2 268.405 -0.136 20 0 CBADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653124016 420119903 /nfs/dbraw/zinc/11/99/03/420119903.db2.gz OEZWCFQYPYOEGY-RAIGVLPGSA-N 3 2 268.405 -0.136 20 0 CBADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653124015 420120410 /nfs/dbraw/zinc/12/04/10/420120410.db2.gz OEZWCFQYPYOEGY-KGYLQXTDSA-N 3 2 268.405 -0.136 20 0 CBADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653124015 420120414 /nfs/dbraw/zinc/12/04/14/420120414.db2.gz OEZWCFQYPYOEGY-KGYLQXTDSA-N 3 2 268.405 -0.136 20 0 CBADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653139643 420121952 /nfs/dbraw/zinc/12/19/52/420121952.db2.gz PIJQSPAUHTZLBM-WISYIIOYSA-N 3 2 256.394 -0.232 20 0 CBADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653139641 420122053 /nfs/dbraw/zinc/12/20/53/420122053.db2.gz PIJQSPAUHTZLBM-DDHJBXDOSA-N 3 2 256.394 -0.232 20 0 CBADLP COCC[N@@H+]1CCCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653147784 420123188 /nfs/dbraw/zinc/12/31/88/420123188.db2.gz AAMKAGRGMULHFU-CYBMUJFWSA-N 3 2 286.420 -0.554 20 0 CBADLP COCC[N@H+]1CCCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653147784 420123190 /nfs/dbraw/zinc/12/31/90/420123190.db2.gz AAMKAGRGMULHFU-CYBMUJFWSA-N 3 2 286.420 -0.554 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCOC[C@@H]1C1CC1 ZINC000653151907 420123410 /nfs/dbraw/zinc/12/34/10/420123410.db2.gz XFXXWROPJQNPPD-NWDGAFQWSA-N 2 2 255.362 -0.097 20 0 CBADLP CC(C)CN1CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CC1=O ZINC000653152643 420124589 /nfs/dbraw/zinc/12/45/89/420124589.db2.gz UWIFJINNIVJFDF-GFCCVEGCSA-N 2 2 284.404 -0.408 20 0 CBADLP CCO[C@@H]1CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C[C@H]1C[NH3+] ZINC000653249248 420132655 /nfs/dbraw/zinc/13/26/55/420132655.db2.gz UBOXFSZUTXIQPR-GRYCIOLGSA-N 3 2 272.393 -0.912 20 0 CBADLP CN(CC[NH+]1CCCCC1)C(=O)CN1CC[NH2+]CC1=O ZINC000653274981 420133228 /nfs/dbraw/zinc/13/32/28/420133228.db2.gz UDEMEYJNUAWLFX-UHFFFAOYSA-N 2 2 282.388 -0.638 20 0 CBADLP CC(C)(CNC(=O)[C@]1(F)CC[NH2+]C1)[NH+]1CCOCC1 ZINC000368453087 420133266 /nfs/dbraw/zinc/13/32/66/420133266.db2.gz HLUZHSUQJZXHFH-ZDUSSCGKSA-N 2 2 273.352 -0.085 20 0 CBADLP COCCOCC[NH+]1CCN(C(=O)[C@@H](C)[NH3+])CC1 ZINC000653276140 420133593 /nfs/dbraw/zinc/13/35/93/420133593.db2.gz WHJXCBMKVYHJCH-LLVKDONJSA-N 2 2 259.350 -0.859 20 0 CBADLP COCCOCC[NH+]1CCN(C(=O)CC2(C[NH3+])CC2)CC1 ZINC000653274956 420133786 /nfs/dbraw/zinc/13/37/86/420133786.db2.gz SQSPUKOUFPOBGW-UHFFFAOYSA-N 2 2 299.415 -0.077 20 0 CBADLP COCCOCC[NH+]1CCN(C(=O)[C@H]2CC[NH2+]2)CC1 ZINC000653275656 420134169 /nfs/dbraw/zinc/13/41/69/420134169.db2.gz KWPMUOKODBBUKY-GFCCVEGCSA-N 2 2 271.361 -0.845 20 0 CBADLP COCCOCC[NH+]1CCN(C(=O)[C@H](C)[C@@H](C)[NH3+])CC1 ZINC000653275691 420134659 /nfs/dbraw/zinc/13/46/59/420134659.db2.gz LNXFXUVNZVUURI-CHWSQXEVSA-N 2 2 287.404 -0.223 20 0 CBADLP COCCOCC[NH+]1CCN(C(=O)C[C@@H](C)[NH3+])CC1 ZINC000653275382 420134675 /nfs/dbraw/zinc/13/46/75/420134675.db2.gz DLNQRTUDDMNWSA-GFCCVEGCSA-N 2 2 273.377 -0.469 20 0 CBADLP CC1(C)CN(C(=O)NCCn2cc[nH+]c2)CC[N@@H+]1CCO ZINC000672683299 544858659 /nfs/dbraw/zinc/85/86/59/544858659.db2.gz IJITYUKYEIKIHR-UHFFFAOYSA-N 2 2 295.387 -0.019 20 0 CBADLP CC1(C)CN(C(=O)NCCn2cc[nH+]c2)CC[N@H+]1CCO ZINC000672683299 544858660 /nfs/dbraw/zinc/85/86/60/544858660.db2.gz IJITYUKYEIKIHR-UHFFFAOYSA-N 2 2 295.387 -0.019 20 0 CBADLP CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)C1 ZINC000653298890 420138270 /nfs/dbraw/zinc/13/82/70/420138270.db2.gz PXFULJGUEYSFPA-KWCYVHTRSA-N 2 2 296.415 -0.075 20 0 CBADLP CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)C1 ZINC000653298890 420138273 /nfs/dbraw/zinc/13/82/73/420138273.db2.gz PXFULJGUEYSFPA-KWCYVHTRSA-N 2 2 296.415 -0.075 20 0 CBADLP CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)C1 ZINC000653298891 420138317 /nfs/dbraw/zinc/13/83/17/420138317.db2.gz PXFULJGUEYSFPA-MRVWCRGKSA-N 2 2 296.415 -0.075 20 0 CBADLP CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)C1 ZINC000653298891 420138320 /nfs/dbraw/zinc/13/83/20/420138320.db2.gz PXFULJGUEYSFPA-MRVWCRGKSA-N 2 2 296.415 -0.075 20 0 CBADLP O=C(NCCCN1CC[NH2+]CC1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000368649236 420138816 /nfs/dbraw/zinc/13/88/16/420138816.db2.gz BMTSHVLSQYAMIE-JTQLQIEISA-N 2 2 276.331 -0.605 20 0 CBADLP COC(=O)[C@H]1C[C@H](NC(=O)C[C@H]2CCC[NH2+]2)C[NH2+]1 ZINC000366151863 420076833 /nfs/dbraw/zinc/07/68/33/420076833.db2.gz OJHRAWPBVOQHSM-KXUCPTDWSA-N 2 2 255.318 -0.852 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652734721 420079160 /nfs/dbraw/zinc/07/91/60/420079160.db2.gz UHZROBJEXKLIEL-UHFFFAOYSA-N 2 2 293.371 -0.805 20 0 CBADLP C[NH+](C)CC(=O)NC[C@]1([NH+]2CCOCC2)CCCOC1 ZINC000366267514 420081985 /nfs/dbraw/zinc/08/19/85/420081985.db2.gz JZZZHAZYHAYIAN-CQSZACIVSA-N 2 2 285.388 -0.454 20 0 CBADLP C[NH2+]C[C@@H](C)C(=O)N1CC[NH+](C2(C(N)=O)CCCC2)CC1 ZINC000366332591 420083603 /nfs/dbraw/zinc/08/36/03/420083603.db2.gz JLRZMJWRVJGCDC-GFCCVEGCSA-N 2 2 296.415 -0.216 20 0 CBADLP COCC[C@]1(C(=O)N[C@@H](C)C[NH+]2CCOCC2)CC[NH2+]C1 ZINC000370762905 420184954 /nfs/dbraw/zinc/18/49/54/420184954.db2.gz COBQRNUWDJTDHL-DZGCQCFKSA-N 2 2 299.415 -0.161 20 0 CBADLP O=C(NC[C@]1([NH+]2CCOCC2)CCCOC1)[C@@H]1CCC[NH2+]1 ZINC000370773260 420186991 /nfs/dbraw/zinc/18/69/91/420186991.db2.gz NTJKOIFQACSUAZ-DZGCQCFKSA-N 2 2 297.399 -0.264 20 0 CBADLP COCC[C@@]1(C(=O)NCC[NH+]2CCOCC2)CC[NH2+]C1 ZINC000370782236 420188338 /nfs/dbraw/zinc/18/83/38/420188338.db2.gz SNGSGBHFLXPCCX-AWEZNQCLSA-N 2 2 285.388 -0.549 20 0 CBADLP C[C@@H](O)C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000654745223 420192494 /nfs/dbraw/zinc/19/24/94/420192494.db2.gz PAMROIZRCRKEMK-CHWSQXEVSA-N 2 2 269.389 -0.147 20 0 CBADLP C[C@@H](O)C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC000654745223 420192496 /nfs/dbraw/zinc/19/24/96/420192496.db2.gz PAMROIZRCRKEMK-CHWSQXEVSA-N 2 2 269.389 -0.147 20 0 CBADLP CO[C@H](C[NH2+]CC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000378834767 420196548 /nfs/dbraw/zinc/19/65/48/420196548.db2.gz LRHFSHVTBSUNLS-GFCCVEGCSA-N 2 2 255.362 -0.225 20 0 CBADLP CC(C)[C@H]([NH3+])c1cn(C[C@H](O)C[NH+]2CCOCC2)nn1 ZINC000380963187 420198552 /nfs/dbraw/zinc/19/85/52/420198552.db2.gz QFTXTPKFFCMBDU-YPMHNXCESA-N 2 2 283.376 -0.373 20 0 CBADLP C[C@@](O)(CNC(=O)C[NH+]1CC(C)(C)C1)C[NH+]1CCOCC1 ZINC000654848444 420199038 /nfs/dbraw/zinc/19/90/38/420199038.db2.gz RBISGNWZNFFCFX-OAHLLOKOSA-N 2 2 299.415 -0.472 20 0 CBADLP C[C@@H]1C[C@@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)[C@@H](C)O1 ZINC000385057315 420201315 /nfs/dbraw/zinc/20/13/15/420201315.db2.gz CKLPHZIFYMQOIM-IJLUTSLNSA-N 2 2 255.362 -0.084 20 0 CBADLP COC[C@]1(C(=O)NCCn2cc[nH+]c2)CC[NH2+]C1 ZINC000385650183 420202960 /nfs/dbraw/zinc/20/29/60/420202960.db2.gz AMPSGWDXLRMOIR-LBPRGKRZSA-N 2 2 252.318 -0.375 20 0 CBADLP C[NH2+][C@H](C)c1cn(CC(=O)N2CC[NH+](C)CC2)nn1 ZINC000388309241 420204586 /nfs/dbraw/zinc/20/45/86/420204586.db2.gz IDBSSABAQVVHCV-SNVBAGLBSA-N 2 2 266.349 -0.668 20 0 CBADLP C[NH+]1CCN(CC(=O)N2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000655051580 420214150 /nfs/dbraw/zinc/21/41/50/420214150.db2.gz SHQCAZUIABLAPQ-UHFFFAOYSA-N 2 2 268.405 -0.214 20 0 CBADLP C[NH+]1CCN(CC(=O)N2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000655051580 420214153 /nfs/dbraw/zinc/21/41/53/420214153.db2.gz SHQCAZUIABLAPQ-UHFFFAOYSA-N 2 2 268.405 -0.214 20 0 CBADLP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCC[NH+]2CCOCC2)C1 ZINC000653477553 420145153 /nfs/dbraw/zinc/14/51/53/420145153.db2.gz SVLPUOPANNZZHR-BETUJISGSA-N 2 2 284.404 -0.042 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@](O)(Cn2ccnn2)C1 ZINC000653669171 420155885 /nfs/dbraw/zinc/15/58/85/420155885.db2.gz LRUMIMLWEDECIB-QWHCGFSZSA-N 2 2 283.376 -0.973 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@](O)(Cn2ccnn2)C1 ZINC000653669171 420155889 /nfs/dbraw/zinc/15/58/89/420155889.db2.gz LRUMIMLWEDECIB-QWHCGFSZSA-N 2 2 283.376 -0.973 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@](O)(Cn2ccnn2)C1 ZINC000653669171 420155892 /nfs/dbraw/zinc/15/58/92/420155892.db2.gz LRUMIMLWEDECIB-QWHCGFSZSA-N 2 2 283.376 -0.973 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@](O)(Cn2ccnn2)C1 ZINC000653669171 420155897 /nfs/dbraw/zinc/15/58/97/420155897.db2.gz LRUMIMLWEDECIB-QWHCGFSZSA-N 2 2 283.376 -0.973 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1C[C@H](O)C[C@@H]1COC ZINC000653778521 420161778 /nfs/dbraw/zinc/16/17/78/420161778.db2.gz CLVHRNXKLUNKDV-JHJVBQTASA-N 2 2 276.377 -0.993 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@H](O)C[C@@H]1COC ZINC000653778521 420161782 /nfs/dbraw/zinc/16/17/82/420161782.db2.gz CLVHRNXKLUNKDV-JHJVBQTASA-N 2 2 276.377 -0.993 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@H](O)C[C@@H]1COC ZINC000653778521 420161785 /nfs/dbraw/zinc/16/17/85/420161785.db2.gz CLVHRNXKLUNKDV-JHJVBQTASA-N 2 2 276.377 -0.993 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1C[C@H](O)C[C@@H]1COC ZINC000653778521 420161787 /nfs/dbraw/zinc/16/17/87/420161787.db2.gz CLVHRNXKLUNKDV-JHJVBQTASA-N 2 2 276.377 -0.993 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCc3cc[nH]c(=O)c3C2)CC1 ZINC000369589260 420164301 /nfs/dbraw/zinc/16/43/01/420164301.db2.gz WXPJVASSBSLWOP-UHFFFAOYSA-N 2 2 290.367 -0.081 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CCc3cc[nH]c(=O)c3C2)CC1 ZINC000369589260 420164306 /nfs/dbraw/zinc/16/43/06/420164306.db2.gz WXPJVASSBSLWOP-UHFFFAOYSA-N 2 2 290.367 -0.081 20 0 CBADLP C[C@@H]1C[N@H+](CCN2CC[NH+]3C[C@H](O)C[C@H]3C2)CCO1 ZINC000653829335 420167656 /nfs/dbraw/zinc/16/76/56/420167656.db2.gz JWSHNCQLFCAIDU-HZSPNIEDSA-N 2 2 269.389 -0.542 20 0 CBADLP C[C@@H]1C[N@@H+](CCN2CC[NH+]3C[C@H](O)C[C@H]3C2)CCO1 ZINC000653829335 420167660 /nfs/dbraw/zinc/16/76/60/420167660.db2.gz JWSHNCQLFCAIDU-HZSPNIEDSA-N 2 2 269.389 -0.542 20 0 CBADLP C[C@@H]1C[NH+](CCN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CCO1 ZINC000653829335 420167663 /nfs/dbraw/zinc/16/76/63/420167663.db2.gz JWSHNCQLFCAIDU-HZSPNIEDSA-N 2 2 269.389 -0.542 20 0 CBADLP C[C@@H]1C[NH+](CCN2CC[N@H+]3C[C@H](O)C[C@H]3C2)CCO1 ZINC000653829335 420167666 /nfs/dbraw/zinc/16/76/66/420167666.db2.gz JWSHNCQLFCAIDU-HZSPNIEDSA-N 2 2 269.389 -0.542 20 0 CBADLP C[C@@H](O)C[N@H+](CC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000653896750 420168936 /nfs/dbraw/zinc/16/89/36/420168936.db2.gz XZQGPRYHCKRUMS-LLVKDONJSA-N 2 2 255.362 -0.394 20 0 CBADLP C[C@@H](O)C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000653896750 420168939 /nfs/dbraw/zinc/16/89/39/420168939.db2.gz XZQGPRYHCKRUMS-LLVKDONJSA-N 2 2 255.362 -0.394 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000370156336 420173841 /nfs/dbraw/zinc/17/38/41/420173841.db2.gz PACUTVGNGLHTTN-ZDUSSCGKSA-N 2 2 292.387 -0.484 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000370156336 420173844 /nfs/dbraw/zinc/17/38/44/420173844.db2.gz PACUTVGNGLHTTN-ZDUSSCGKSA-N 2 2 292.387 -0.484 20 0 CBADLP C[N@@H+](CC(N)=O)C[C@H]1CN(CCC[NH+]2CCCC2)CCO1 ZINC000370314936 420175237 /nfs/dbraw/zinc/17/52/37/420175237.db2.gz PAGVQBYIWHKPIT-AWEZNQCLSA-N 2 2 298.431 -0.410 20 0 CBADLP C[N@H+](CC(N)=O)C[C@H]1CN(CCC[NH+]2CCCC2)CCO1 ZINC000370314936 420175239 /nfs/dbraw/zinc/17/52/39/420175239.db2.gz PAGVQBYIWHKPIT-AWEZNQCLSA-N 2 2 298.431 -0.410 20 0 CBADLP C[C@@H](CC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)n1cc[nH+]c1 ZINC000655096232 420221982 /nfs/dbraw/zinc/22/19/82/420221982.db2.gz PMHHGESVMVXCIG-SRVKXCTJSA-N 2 2 266.345 -0.033 20 0 CBADLP CCO[C@@H]1C[N@H+](CC(=O)NC2CCOCC2)C[C@H]1C[NH3+] ZINC000405235586 420227343 /nfs/dbraw/zinc/22/73/43/420227343.db2.gz YCUQJHFTVWYNGP-DGCLKSJQSA-N 2 2 285.388 -0.423 20 0 CBADLP CCO[C@@H]1C[N@@H+](CC(=O)NC2CCOCC2)C[C@H]1C[NH3+] ZINC000405235586 420227346 /nfs/dbraw/zinc/22/73/46/420227346.db2.gz YCUQJHFTVWYNGP-DGCLKSJQSA-N 2 2 285.388 -0.423 20 0 CBADLP CCO[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC2CC2)C[C@H]1C[NH3+] ZINC000405832365 420228239 /nfs/dbraw/zinc/22/82/39/420228239.db2.gz BJDIJRAZBWEZHB-HOSYDEDBSA-N 2 2 255.362 -0.051 20 0 CBADLP CCO[C@@H]1C[N@H+]([C@@H](C)C(=O)NC2CC2)C[C@H]1C[NH3+] ZINC000405832365 420228242 /nfs/dbraw/zinc/22/82/42/420228242.db2.gz BJDIJRAZBWEZHB-HOSYDEDBSA-N 2 2 255.362 -0.051 20 0 CBADLP C[C@@H](O)CNc1cc(NCC[N@@H+]2CCOC[C@@H]2C)nc[nH+]1 ZINC000413126967 420235767 /nfs/dbraw/zinc/23/57/67/420235767.db2.gz UYLFVTFRPKZENW-NWDGAFQWSA-N 2 2 295.387 0.402 20 0 CBADLP C[C@@H](O)CNc1cc(NCC[N@H+]2CCOC[C@@H]2C)nc[nH+]1 ZINC000413126967 420235770 /nfs/dbraw/zinc/23/57/70/420235770.db2.gz UYLFVTFRPKZENW-NWDGAFQWSA-N 2 2 295.387 0.402 20 0 CBADLP CC(C)(C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)[NH+]1CCOCC1 ZINC000655295057 420239005 /nfs/dbraw/zinc/23/90/05/420239005.db2.gz QFPUORRNGZVXHN-QWHCGFSZSA-N 2 2 297.399 -0.625 20 0 CBADLP CC(C)(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)[NH+]1CCOCC1 ZINC000655295057 420239007 /nfs/dbraw/zinc/23/90/07/420239007.db2.gz QFPUORRNGZVXHN-QWHCGFSZSA-N 2 2 297.399 -0.625 20 0 CBADLP C[C@@H](C[NH3+])CNC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000418211964 420241927 /nfs/dbraw/zinc/24/19/27/420241927.db2.gz LDSUJZLPHVXWPK-JQWIXIFHSA-N 2 2 270.377 -0.256 20 0 CBADLP C[C@@H](C[NH3+])CNC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000418211964 420241932 /nfs/dbraw/zinc/24/19/32/420241932.db2.gz LDSUJZLPHVXWPK-JQWIXIFHSA-N 2 2 270.377 -0.256 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000419878375 420244989 /nfs/dbraw/zinc/24/49/89/420244989.db2.gz QLYQQTDMPOQADV-NWDGAFQWSA-N 2 2 282.388 -0.463 20 0 CBADLP c1cnc(NCC[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)cn1 ZINC000422888995 420253188 /nfs/dbraw/zinc/25/31/88/420253188.db2.gz OLDFRLGYIDNNCM-JSGCOSHPSA-N 2 2 277.372 0.245 20 0 CBADLP c1cnc(NCC[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)cn1 ZINC000422888994 420253486 /nfs/dbraw/zinc/25/34/86/420253486.db2.gz OLDFRLGYIDNNCM-GXTWGEPZSA-N 2 2 277.372 0.245 20 0 CBADLP O=C(NC[C@@H]1C[NH2+]CCO1)[C@H]1CCc2[nH+]ccn2C1 ZINC000655477731 420254515 /nfs/dbraw/zinc/25/45/15/420254515.db2.gz CCTWNTFASQAAMX-QWRGUYRKSA-N 2 2 264.329 -0.450 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1C[NH2+]CCO1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488814 420256470 /nfs/dbraw/zinc/25/64/70/420256470.db2.gz GLEHUROIZKXEBS-RVMXOQNASA-N 2 2 285.388 -0.411 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1C[NH2+]CCO1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488814 420256475 /nfs/dbraw/zinc/25/64/75/420256475.db2.gz GLEHUROIZKXEBS-RVMXOQNASA-N 2 2 285.388 -0.411 20 0 CBADLP COC(=O)C[C@H]([NH3+])C(=O)NCCCNc1ccc(C)c[nH+]1 ZINC000423439089 420257162 /nfs/dbraw/zinc/25/71/62/420257162.db2.gz VERHCWJFEZXJTD-NSHDSACASA-N 2 2 294.355 0.199 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000423601367 420257549 /nfs/dbraw/zinc/25/75/49/420257549.db2.gz GOCMRQSTSJIWFQ-VXGBXAGGSA-N 2 2 284.404 -0.301 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000423601367 420257552 /nfs/dbraw/zinc/25/75/52/420257552.db2.gz GOCMRQSTSJIWFQ-VXGBXAGGSA-N 2 2 284.404 -0.301 20 0 CBADLP [NH3+]C1(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000430712246 420272686 /nfs/dbraw/zinc/27/26/86/420272686.db2.gz GZQUCTXZIDMJML-UHFFFAOYSA-N 2 2 279.344 -0.355 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655914286 420275222 /nfs/dbraw/zinc/27/52/22/420275222.db2.gz FNIDUGMSBFVEEM-VIFPVBQESA-N 2 2 298.309 -0.150 20 0 CBADLP COCC1(CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])CC1 ZINC000655972283 420285422 /nfs/dbraw/zinc/28/54/22/420285422.db2.gz AMJJORJVFHLPNV-LLVKDONJSA-N 2 2 270.377 -0.303 20 0 CBADLP COCC1(CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])CC1 ZINC000655972283 420285426 /nfs/dbraw/zinc/28/54/26/420285426.db2.gz AMJJORJVFHLPNV-LLVKDONJSA-N 2 2 270.377 -0.303 20 0 CBADLP C[C@H](NC(=O)Cc1c[nH+]cn1C)[C@@H]1C[N@H+](C)CCO1 ZINC000673017400 544867735 /nfs/dbraw/zinc/86/77/35/544867735.db2.gz XJHZBSIVNPUHSO-JQWIXIFHSA-N 2 2 266.345 -0.202 20 0 CBADLP C[C@H](NC(=O)Cc1c[nH+]cn1C)[C@@H]1C[N@@H+](C)CCO1 ZINC000673017400 544867738 /nfs/dbraw/zinc/86/77/38/544867738.db2.gz XJHZBSIVNPUHSO-JQWIXIFHSA-N 2 2 266.345 -0.202 20 0 CBADLP C[C@H]1C[C@H](CO)C[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000398786935 420217909 /nfs/dbraw/zinc/21/79/09/420217909.db2.gz QOWGHIRVIZCTIQ-STQMWFEESA-N 2 2 269.389 -0.289 20 0 CBADLP C[C@H]1C[C@H](CO)C[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000398786935 420217915 /nfs/dbraw/zinc/21/79/15/420217915.db2.gz QOWGHIRVIZCTIQ-STQMWFEESA-N 2 2 269.389 -0.289 20 0 CBADLP C[C@@H]1C[C@@H](CO)C[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000398786919 420219532 /nfs/dbraw/zinc/21/95/32/420219532.db2.gz QOWGHIRVIZCTIQ-CHWSQXEVSA-N 2 2 269.389 -0.289 20 0 CBADLP C[C@@H]1C[C@@H](CO)C[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000398786919 420219534 /nfs/dbraw/zinc/21/95/34/420219534.db2.gz QOWGHIRVIZCTIQ-CHWSQXEVSA-N 2 2 269.389 -0.289 20 0 CBADLP CC(C)[C@H](C(=O)N1CC[NH+](CCO)CC1)[C@@H](C)[NH3+] ZINC000399438985 420220534 /nfs/dbraw/zinc/22/05/34/420220534.db2.gz NSQGDGRCIADDQV-NEPJUHHUSA-N 2 2 257.378 -0.258 20 0 CBADLP C[C@@H](Cn1cncn1)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000657855376 420363246 /nfs/dbraw/zinc/36/32/46/420363246.db2.gz CFJBVAJAQHNQGO-NSHDSACASA-N 2 2 266.349 -0.970 20 0 CBADLP COC(=O)N1CC([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000496791142 420327459 /nfs/dbraw/zinc/32/74/59/420327459.db2.gz DVKRBPLPPRNWIA-NSHDSACASA-N 2 2 257.334 -0.518 20 0 CBADLP COC[C@@H](C)S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000657091172 420342762 /nfs/dbraw/zinc/34/27/62/420342762.db2.gz JPYKJPFMWICESK-GFCCVEGCSA-N 2 2 295.449 -0.176 20 0 CBADLP COC[C@@H](C)S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000657091172 420342767 /nfs/dbraw/zinc/34/27/67/420342767.db2.gz JPYKJPFMWICESK-GFCCVEGCSA-N 2 2 295.449 -0.176 20 0 CBADLP C[NH+](C)C[C@@H](CO)NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000673523949 544879303 /nfs/dbraw/zinc/87/93/03/544879303.db2.gz XUGYXCHSPALBSE-LBPRGKRZSA-N 2 2 276.340 -0.085 20 0 CBADLP C[C@@H]1CC[NH+](C[C@@H](O)C[N@H+]2CC[C@H](C)[C@@H](O)C2)C[C@@H]1O ZINC000447311982 420294707 /nfs/dbraw/zinc/29/47/07/420294707.db2.gz JYXROXAXCIPQEG-AICCOOGYSA-N 2 2 286.416 -0.247 20 0 CBADLP C[C@@H]1CC[NH+](C[C@@H](O)C[N@@H+]2CC[C@H](C)[C@@H](O)C2)C[C@@H]1O ZINC000447311982 420294712 /nfs/dbraw/zinc/29/47/12/420294712.db2.gz JYXROXAXCIPQEG-AICCOOGYSA-N 2 2 286.416 -0.247 20 0 CBADLP C[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+]2CC[C@H](C)[C@@H](O)C2)C[C@@H]1O ZINC000447311982 420294714 /nfs/dbraw/zinc/29/47/14/420294714.db2.gz JYXROXAXCIPQEG-AICCOOGYSA-N 2 2 286.416 -0.247 20 0 CBADLP C[C@@H]1CC[N@H+](C[C@@H](O)C[NH+]2CC[C@H](C)[C@@H](O)C2)C[C@@H]1O ZINC000447311982 420294717 /nfs/dbraw/zinc/29/47/17/420294717.db2.gz JYXROXAXCIPQEG-AICCOOGYSA-N 2 2 286.416 -0.247 20 0 CBADLP C[C@@H](O)CNc1cc(N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)nc[nH+]1 ZINC000656218597 420303657 /nfs/dbraw/zinc/30/36/57/420303657.db2.gz CRUZJVJGZKEOQY-GRYCIOLGSA-N 2 2 293.371 -0.476 20 0 CBADLP C[C@@H](O)CNc1cc(N2CC[N@H+]3C[C@H](O)C[C@H]3C2)nc[nH+]1 ZINC000656218597 420303659 /nfs/dbraw/zinc/30/36/59/420303659.db2.gz CRUZJVJGZKEOQY-GRYCIOLGSA-N 2 2 293.371 -0.476 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000517029092 420369740 /nfs/dbraw/zinc/36/97/40/420369740.db2.gz ZECYZEYRTYCFJQ-ZDUSSCGKSA-N 2 2 294.399 -0.734 20 0 CBADLP CSCC[C@H]([NH3+])C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000518540385 420381132 /nfs/dbraw/zinc/38/11/32/420381132.db2.gz JXGMMAFHEKXWKG-QWRGUYRKSA-N 2 2 275.418 -0.096 20 0 CBADLP CSCC[C@H]([NH3+])C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000518540385 420381137 /nfs/dbraw/zinc/38/11/37/420381137.db2.gz JXGMMAFHEKXWKG-QWRGUYRKSA-N 2 2 275.418 -0.096 20 0 CBADLP [NH3+]CCOCC[NH+]1CCN(C(=O)c2ccccn2)CC1 ZINC000518535819 420381855 /nfs/dbraw/zinc/38/18/55/420381855.db2.gz RXKWINLPIVAELJ-UHFFFAOYSA-N 2 2 278.356 -0.185 20 0 CBADLP C[N@@H+]1CCN(C(=O)CC2CCOCC2)[C@H](C[NH3+])C1 ZINC000519640935 420384459 /nfs/dbraw/zinc/38/44/59/420384459.db2.gz FSWLGLSFZZAZRT-GFCCVEGCSA-N 2 2 255.362 -0.096 20 0 CBADLP C[N@H+]1CCN(C(=O)CC2CCOCC2)[C@H](C[NH3+])C1 ZINC000519640935 420384462 /nfs/dbraw/zinc/38/44/62/420384462.db2.gz FSWLGLSFZZAZRT-GFCCVEGCSA-N 2 2 255.362 -0.096 20 0 CBADLP CN(Cc1c[nH+]c[nH]1)C(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000658758560 420386843 /nfs/dbraw/zinc/38/68/43/420386843.db2.gz WINNKAFHARGCHS-GFCCVEGCSA-N 2 2 293.371 -0.079 20 0 CBADLP CN(Cc1c[nH+]c[nH]1)C(=O)C(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000658758560 420386847 /nfs/dbraw/zinc/38/68/47/420386847.db2.gz WINNKAFHARGCHS-GFCCVEGCSA-N 2 2 293.371 -0.079 20 0 CBADLP CN(Cc1c[nH]c[nH+]1)C(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000658758560 420386850 /nfs/dbraw/zinc/38/68/50/420386850.db2.gz WINNKAFHARGCHS-GFCCVEGCSA-N 2 2 293.371 -0.079 20 0 CBADLP CN(Cc1c[nH]c[nH+]1)C(=O)C(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000658758560 420386854 /nfs/dbraw/zinc/38/68/54/420386854.db2.gz WINNKAFHARGCHS-GFCCVEGCSA-N 2 2 293.371 -0.079 20 0 CBADLP CN(C)C(=O)CCCC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000519778845 420388391 /nfs/dbraw/zinc/38/83/91/420388391.db2.gz SVEGJQOUXYQWAR-LLVKDONJSA-N 2 2 270.377 -0.654 20 0 CBADLP CN(C)C(=O)CCCC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000519778845 420388395 /nfs/dbraw/zinc/38/83/95/420388395.db2.gz SVEGJQOUXYQWAR-LLVKDONJSA-N 2 2 270.377 -0.654 20 0 CBADLP C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000659113905 420399401 /nfs/dbraw/zinc/39/94/01/420399401.db2.gz ZAFXHTDDIDJHLQ-SECBINFHSA-N 2 2 275.312 -0.003 20 0 CBADLP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC000674275626 544900241 /nfs/dbraw/zinc/90/02/41/544900241.db2.gz IMDBAYCOPUKSKT-LBPRGKRZSA-N 2 2 282.388 -0.687 20 0 CBADLP CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@@H]1CCC[N@H+]1C ZINC000674275626 544900243 /nfs/dbraw/zinc/90/02/43/544900243.db2.gz IMDBAYCOPUKSKT-LBPRGKRZSA-N 2 2 282.388 -0.687 20 0 CBADLP C[C@H](NC(=O)N1CC[NH+](C)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000676306941 544947808 /nfs/dbraw/zinc/94/78/08/544947808.db2.gz XFYMLSICOMIAAW-RYUDHWBXSA-N 2 2 270.377 -0.338 20 0 CBADLP C[C@H](NC(=O)N1CC[NH+](C)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676306941 544947810 /nfs/dbraw/zinc/94/78/10/544947810.db2.gz XFYMLSICOMIAAW-RYUDHWBXSA-N 2 2 270.377 -0.338 20 0 CBADLP C[C@H](C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1)N1CC[NH+](C)CC1 ZINC000676347984 544948660 /nfs/dbraw/zinc/94/86/60/544948660.db2.gz KYUWSESCEHDERJ-MJBXVCDLSA-N 2 2 298.431 -0.542 20 0 CBADLP C[C@H](C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1)N1CC[NH+](C)CC1 ZINC000676347984 544948662 /nfs/dbraw/zinc/94/86/62/544948662.db2.gz KYUWSESCEHDERJ-MJBXVCDLSA-N 2 2 298.431 -0.542 20 0 CBADLP COC[C@](C)(O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000674765256 544913804 /nfs/dbraw/zinc/91/38/04/544913804.db2.gz WWUNSISNBQISEG-WFASDCNBSA-N 2 2 299.415 -0.332 20 0 CBADLP COC[C@](C)(O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000674765256 544913805 /nfs/dbraw/zinc/91/38/05/544913805.db2.gz WWUNSISNBQISEG-WFASDCNBSA-N 2 2 299.415 -0.332 20 0 CBADLP C[C@@H]1CN(C)C[C@@H]1[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000674882475 544921615 /nfs/dbraw/zinc/92/16/15/544921615.db2.gz NUTWGGUXDPWFQT-PMPSAXMXSA-N 2 2 296.459 -0.067 20 0 CBADLP O=S1(=O)CCCN1CC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000676557293 544954404 /nfs/dbraw/zinc/95/44/04/544954404.db2.gz PYGCMQVTQLIRHB-QWRGUYRKSA-N 2 2 259.375 -0.827 20 0 CBADLP C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1C[NH+](C)CCO1 ZINC000676289320 544945167 /nfs/dbraw/zinc/94/51/67/544945167.db2.gz DZFVTZXXIXITPT-TUAOUCFPSA-N 2 2 255.362 -0.084 20 0 CBADLP C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)[C@@H]1C[NH+](C)CCO1 ZINC000676289320 544945171 /nfs/dbraw/zinc/94/51/71/544945171.db2.gz DZFVTZXXIXITPT-TUAOUCFPSA-N 2 2 255.362 -0.084 20 0 CBADLP C[C@H](NC(=O)[C@H]1CCC[NH+]1C)[C@@H]1C[N@H+](C)CCO1 ZINC000676289320 544945173 /nfs/dbraw/zinc/94/51/73/544945173.db2.gz DZFVTZXXIXITPT-TUAOUCFPSA-N 2 2 255.362 -0.084 20 0 CBADLP C[C@H](NC(=O)[C@H]1CCC[NH+]1C)[C@@H]1C[N@@H+](C)CCO1 ZINC000676289320 544945177 /nfs/dbraw/zinc/94/51/77/544945177.db2.gz DZFVTZXXIXITPT-TUAOUCFPSA-N 2 2 255.362 -0.084 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000677862135 544987777 /nfs/dbraw/zinc/98/77/77/544987777.db2.gz BQQIKIAJMGXNQP-STQMWFEESA-N 2 2 277.372 -0.222 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000677862135 544987780 /nfs/dbraw/zinc/98/77/80/544987780.db2.gz BQQIKIAJMGXNQP-STQMWFEESA-N 2 2 277.372 -0.222 20 0 CBADLP C[NH2+]C[C@H](C)NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000659453589 420420142 /nfs/dbraw/zinc/42/01/42/420420142.db2.gz OFCLFULUXJPYHK-WDEREUQCSA-N 2 2 257.382 -0.861 20 0 CBADLP C[NH2+]C[C@H](C)NC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000659453589 420420143 /nfs/dbraw/zinc/42/01/43/420420143.db2.gz OFCLFULUXJPYHK-WDEREUQCSA-N 2 2 257.382 -0.861 20 0 CBADLP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000676623841 544956503 /nfs/dbraw/zinc/95/65/03/544956503.db2.gz NWBAGJLOACRBOQ-CHWSQXEVSA-N 2 2 266.389 -0.413 20 0 CBADLP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000676623841 544956510 /nfs/dbraw/zinc/95/65/10/544956510.db2.gz NWBAGJLOACRBOQ-CHWSQXEVSA-N 2 2 266.389 -0.413 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659450644 420420901 /nfs/dbraw/zinc/42/09/01/420420901.db2.gz CUMITFVQYKTEPN-QJPTWQEYSA-N 2 2 288.367 -0.212 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659450644 420420904 /nfs/dbraw/zinc/42/09/04/420420904.db2.gz CUMITFVQYKTEPN-QJPTWQEYSA-N 2 2 288.367 -0.212 20 0 CBADLP C[N@@H+]1CC[C@@H](C(=O)N(CCO)CC[NH+]2CCOCC2)C1 ZINC000677443301 544975600 /nfs/dbraw/zinc/97/56/00/544975600.db2.gz OIXLGVOUUJRCRF-CYBMUJFWSA-N 2 2 285.388 -0.909 20 0 CBADLP C[N@H+]1CC[C@@H](C(=O)N(CCO)CC[NH+]2CCOCC2)C1 ZINC000677443301 544975604 /nfs/dbraw/zinc/97/56/04/544975604.db2.gz OIXLGVOUUJRCRF-CYBMUJFWSA-N 2 2 285.388 -0.909 20 0 CBADLP COC1(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CC[NH2+]CC1 ZINC000659357779 420413946 /nfs/dbraw/zinc/41/39/46/420413946.db2.gz MQIILBPNQLKALK-CYBMUJFWSA-N 2 2 297.399 -0.312 20 0 CBADLP COC[C@]1(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CCC[NH2+]1 ZINC000659357564 420414569 /nfs/dbraw/zinc/41/45/69/420414569.db2.gz JYYHDPFPBATZOP-HIFRSBDPSA-N 2 2 297.399 -0.312 20 0 CBADLP COC[C@]1(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CC[NH2+]C1 ZINC000659356964 420414747 /nfs/dbraw/zinc/41/47/47/420414747.db2.gz AWRMCRVWFOFNGC-ZFWWWQNUSA-N 2 2 297.399 -0.454 20 0 CBADLP O=C([C@@H]1CCC[NH2+]C1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659358473 420415119 /nfs/dbraw/zinc/41/51/19/420415119.db2.gz QRXDYPWZXJNHQF-CHWSQXEVSA-N 2 2 267.373 -0.081 20 0 CBADLP C[NH+](C)CCN1C[C@H](C(=O)NCCn2cc[nH+]c2)CC1=O ZINC000266801744 230194553 /nfs/dbraw/zinc/19/45/53/230194553.db2.gz FOWAAIJPOCUDAW-GFCCVEGCSA-N 2 2 293.371 -0.591 20 0 CBADLP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659357208 420415337 /nfs/dbraw/zinc/41/53/37/420415337.db2.gz DNZLTBBWLHIHHZ-RWMBFGLXSA-N 2 2 267.373 -0.083 20 0 CBADLP COCC[NH2+]CC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659359063 420417000 /nfs/dbraw/zinc/41/70/00/420417000.db2.gz VZGOJTUBVDVVDC-GFCCVEGCSA-N 2 2 271.361 -0.845 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000677862134 544986738 /nfs/dbraw/zinc/98/67/38/544986738.db2.gz BQQIKIAJMGXNQP-QWHCGFSZSA-N 2 2 277.372 -0.222 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000677862134 544986743 /nfs/dbraw/zinc/98/67/43/544986743.db2.gz BQQIKIAJMGXNQP-QWHCGFSZSA-N 2 2 277.372 -0.222 20 0 CBADLP O=C(N[C@H]1CC[NH2+]C1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000659567913 420434625 /nfs/dbraw/zinc/43/46/25/420434625.db2.gz OJACQBODNXGHRR-NSHDSACASA-N 2 2 278.360 -0.401 20 0 CBADLP Nc1ccc(NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)c[nH+]1 ZINC000563141164 420435450 /nfs/dbraw/zinc/43/54/50/420435450.db2.gz CKEQNIPTVYMNFM-VIFPVBQESA-N 2 2 263.301 -0.530 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1CCC[NH2+]C1 ZINC000333846211 230226711 /nfs/dbraw/zinc/22/67/11/230226711.db2.gz WGKVERLIYRESIT-RYUDHWBXSA-N 2 2 270.377 -0.242 20 0 CBADLP CCC[N@@H+]1CC[C@@H](NC(=O)N2CC[NH+](C)C[C@@H]2C[NH3+])C1 ZINC000659610166 420437194 /nfs/dbraw/zinc/43/71/94/420437194.db2.gz LZWXNKUVNNYIFK-OLZOCXBDSA-N 3 2 283.420 -0.245 20 0 CBADLP CCC[N@H+]1CC[C@@H](NC(=O)N2CC[NH+](C)C[C@@H]2C[NH3+])C1 ZINC000659610166 420437195 /nfs/dbraw/zinc/43/71/95/420437195.db2.gz LZWXNKUVNNYIFK-OLZOCXBDSA-N 3 2 283.420 -0.245 20 0 CBADLP CCC[NH+]1CC[C@@H](NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])C1 ZINC000659610166 420437196 /nfs/dbraw/zinc/43/71/96/420437196.db2.gz LZWXNKUVNNYIFK-OLZOCXBDSA-N 3 2 283.420 -0.245 20 0 CBADLP CCC[NH+]1CC[C@@H](NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])C1 ZINC000659610166 420437197 /nfs/dbraw/zinc/43/71/97/420437197.db2.gz LZWXNKUVNNYIFK-OLZOCXBDSA-N 3 2 283.420 -0.245 20 0 CBADLP [NH3+]CCCNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659511244 420426282 /nfs/dbraw/zinc/42/62/82/420426282.db2.gz FRURJLCYBXOLCW-NSHDSACASA-N 2 2 256.350 -0.549 20 0 CBADLP [NH3+]C[C@H](NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)C1CC1 ZINC000659518932 420426815 /nfs/dbraw/zinc/42/68/15/420426815.db2.gz LBPMGGNLKMLZQK-OLZOCXBDSA-N 2 2 282.388 -0.160 20 0 CBADLP C[NH2+]CCNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659514290 420426915 /nfs/dbraw/zinc/42/69/15/420426915.db2.gz HQAXVQGHILCYJT-NSHDSACASA-N 2 2 256.350 -0.678 20 0 CBADLP [NH3+]C[C@H](NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1)C1CC1 ZINC000659518934 420427333 /nfs/dbraw/zinc/42/73/33/420427333.db2.gz LBPMGGNLKMLZQK-STQMWFEESA-N 2 2 282.388 -0.160 20 0 CBADLP O=C(N[C@H]1CC[NH2+]C1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659514731 420427726 /nfs/dbraw/zinc/42/77/26/420427726.db2.gz CSGOZALVEVVKHC-NWDGAFQWSA-N 2 2 268.361 -0.536 20 0 CBADLP C[N@H+](CCn1cc[nH+]c1)CC(=O)N1CC[NH+](C)CC1 ZINC000679374169 545027583 /nfs/dbraw/zinc/02/75/83/545027583.db2.gz VAUVVRJJYIOYKU-UHFFFAOYSA-N 3 2 265.361 -0.411 20 0 CBADLP C[N@@H+](CCn1cc[nH+]c1)CC(=O)N1CC[NH+](C)CC1 ZINC000679374169 545027585 /nfs/dbraw/zinc/02/75/85/545027585.db2.gz VAUVVRJJYIOYKU-UHFFFAOYSA-N 3 2 265.361 -0.411 20 0 CBADLP C[C@H](NC(=O)NC[C@@H]1C[NH2+]CCO1)c1[nH+]ccn1C ZINC000659555658 420433397 /nfs/dbraw/zinc/43/33/97/420433397.db2.gz SIEPAYQIIJQHOA-UWVGGRQHSA-N 2 2 267.333 -0.231 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CC(CO)C3)C2)CC1 ZINC000682868825 545062245 /nfs/dbraw/zinc/06/22/45/545062245.db2.gz PCHYZZJMFOIDLO-CYBMUJFWSA-N 2 2 296.415 -0.211 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CC(CO)C3)C2)CC1 ZINC000682868825 545062246 /nfs/dbraw/zinc/06/22/46/545062246.db2.gz PCHYZZJMFOIDLO-CYBMUJFWSA-N 2 2 296.415 -0.211 20 0 CBADLP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000659751373 420467764 /nfs/dbraw/zinc/46/77/64/420467764.db2.gz GWXSVMXYNQBVLO-QWRGUYRKSA-N 2 2 293.371 -0.540 20 0 CBADLP C[NH+]1CCN(CC(=O)NCC2([NH+]3CCOCC3)CC2)CC1 ZINC000683423071 545064493 /nfs/dbraw/zinc/06/44/93/545064493.db2.gz IGKSPVPHHWMHNF-UHFFFAOYSA-N 2 2 296.415 -0.785 20 0 CBADLP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000659752159 420468074 /nfs/dbraw/zinc/46/80/74/420468074.db2.gz LCHDGVPCDDJDOS-JTQLQIEISA-N 2 2 293.371 -0.160 20 0 CBADLP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000659752159 420468076 /nfs/dbraw/zinc/46/80/76/420468076.db2.gz LCHDGVPCDDJDOS-JTQLQIEISA-N 2 2 293.371 -0.160 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)NCc2c[nH+]c(C)nc2N)C1 ZINC000579358437 420468288 /nfs/dbraw/zinc/46/82/88/420468288.db2.gz NSDIVBIFBHHIIB-LLVKDONJSA-N 2 2 279.344 -0.296 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)NCc2c[nH+]c(C)nc2N)C1 ZINC000579358437 420468290 /nfs/dbraw/zinc/46/82/90/420468290.db2.gz NSDIVBIFBHHIIB-LLVKDONJSA-N 2 2 279.344 -0.296 20 0 CBADLP C[NH+]1CC2(C1)CCN(C(=O)[C@H]1C[N@H+](C)CCO1)C2 ZINC000683908955 545068127 /nfs/dbraw/zinc/06/81/27/545068127.db2.gz LDHJHDLYNBIFNP-LLVKDONJSA-N 2 2 253.346 -0.519 20 0 CBADLP C[NH+]1CC2(C1)CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)C2 ZINC000683908955 545068128 /nfs/dbraw/zinc/06/81/28/545068128.db2.gz LDHJHDLYNBIFNP-LLVKDONJSA-N 2 2 253.346 -0.519 20 0 CBADLP CC[N@H+](CCO)CC[NH2+]C[C@H]1CNc2ccnn2C1 ZINC000684196134 545072912 /nfs/dbraw/zinc/07/29/12/545072912.db2.gz MSZFDSVGJMWDCL-LBPRGKRZSA-N 2 2 267.377 -0.171 20 0 CBADLP CC[N@@H+](CCO)CC[NH2+]C[C@H]1CNc2ccnn2C1 ZINC000684196134 545072913 /nfs/dbraw/zinc/07/29/13/545072913.db2.gz MSZFDSVGJMWDCL-LBPRGKRZSA-N 2 2 267.377 -0.171 20 0 CBADLP CN1CC[N@H+](C)[C@H](CNC(=O)/C=C/C[NH+](C)C)C1 ZINC000491844733 230331491 /nfs/dbraw/zinc/33/14/91/230331491.db2.gz IWWMLLAFZIUOAH-BTDICHCPSA-N 2 2 254.378 -0.534 20 0 CBADLP CN1CC[N@@H+](C)[C@H](CNC(=O)/C=C/C[NH+](C)C)C1 ZINC000491844733 230331494 /nfs/dbraw/zinc/33/14/94/230331494.db2.gz IWWMLLAFZIUOAH-BTDICHCPSA-N 2 2 254.378 -0.534 20 0 CBADLP CC1(C)CN(C(=O)Cn2cc[nH+]c2)CC[N@@H+]1CCO ZINC000682012074 545053271 /nfs/dbraw/zinc/05/32/71/545053271.db2.gz MGKNWTKNOXARHS-UHFFFAOYSA-N 2 2 266.345 -0.202 20 0 CBADLP CC1(C)CN(C(=O)Cn2cc[nH+]c2)CC[N@H+]1CCO ZINC000682012074 545053273 /nfs/dbraw/zinc/05/32/73/545053273.db2.gz MGKNWTKNOXARHS-UHFFFAOYSA-N 2 2 266.345 -0.202 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](CCO)C(C)(C)C2)C1 ZINC000682012237 545053290 /nfs/dbraw/zinc/05/32/90/545053290.db2.gz NPRYOMAHJHNNRH-CYBMUJFWSA-N 2 2 299.415 -0.378 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](CCO)C(C)(C)C2)C1 ZINC000682012237 545053292 /nfs/dbraw/zinc/05/32/92/545053292.db2.gz NPRYOMAHJHNNRH-CYBMUJFWSA-N 2 2 299.415 -0.378 20 0 CBADLP CC[NH+]1CCO[C@@H](C(=O)N2CC[N@H+](CCO)C(C)(C)C2)C1 ZINC000682012237 545053294 /nfs/dbraw/zinc/05/32/94/545053294.db2.gz NPRYOMAHJHNNRH-CYBMUJFWSA-N 2 2 299.415 -0.378 20 0 CBADLP CC[NH+]1CCO[C@@H](C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)C1 ZINC000682012237 545053296 /nfs/dbraw/zinc/05/32/96/545053296.db2.gz NPRYOMAHJHNNRH-CYBMUJFWSA-N 2 2 299.415 -0.378 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000659704120 420452651 /nfs/dbraw/zinc/45/26/51/420452651.db2.gz KVNBRJLLGILEKC-JTQLQIEISA-N 2 2 281.360 -0.417 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659704124 420452777 /nfs/dbraw/zinc/45/27/77/420452777.db2.gz LAJJRUDDUROSCH-HBNTYKKESA-N 2 2 297.334 -0.715 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000659704420 420453337 /nfs/dbraw/zinc/45/33/37/420453337.db2.gz OVBDBKRXMFKDPG-IFQILLTASA-N 2 2 291.355 -0.663 20 0 CBADLP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000659705883 420453410 /nfs/dbraw/zinc/45/34/10/420453410.db2.gz BLHUJDWRWNRVNP-SNVBAGLBSA-N 2 2 267.333 -0.887 20 0 CBADLP C[N@@H+]1CCN(C(=O)Nc2nnc3ccccn32)[C@@H](C[NH3+])C1 ZINC000581655029 420471236 /nfs/dbraw/zinc/47/12/36/420471236.db2.gz LOEQEPSWIRHSSS-JTQLQIEISA-N 2 2 289.343 -0.164 20 0 CBADLP C[N@H+]1CCN(C(=O)Nc2nnc3ccccn32)[C@@H](C[NH3+])C1 ZINC000581655029 420471241 /nfs/dbraw/zinc/47/12/41/420471241.db2.gz LOEQEPSWIRHSSS-JTQLQIEISA-N 2 2 289.343 -0.164 20 0 CBADLP COc1c(N)[nH+]cnc1NC[C@H](C)C[NH+]1CCOCC1 ZINC000575195410 420461799 /nfs/dbraw/zinc/46/17/99/420461799.db2.gz IQHRSLSUWCBANQ-JTQLQIEISA-N 2 2 281.360 0.448 20 0 CBADLP COc1c(N)nc[nH+]c1NC[C@H](C)C[NH+]1CCOCC1 ZINC000575195410 420461800 /nfs/dbraw/zinc/46/18/00/420461800.db2.gz IQHRSLSUWCBANQ-JTQLQIEISA-N 2 2 281.360 0.448 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659745222 420466628 /nfs/dbraw/zinc/46/66/28/420466628.db2.gz PVLAKLKBHCPKFS-UHFFFAOYSA-N 2 2 280.372 -0.981 20 0 CBADLP COc1c(N)[nH+]cnc1NCCN1CC[NH+](C)CC1 ZINC000582073211 420472572 /nfs/dbraw/zinc/47/25/72/420472572.db2.gz WZVNWVGKBKFBKL-UHFFFAOYSA-N 2 2 266.349 -0.273 20 0 CBADLP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@@H]1C(=O)NCC[C@H]1C ZINC000660477410 420491310 /nfs/dbraw/zinc/49/13/10/420491310.db2.gz JSLHPTJWOTYCDN-WOPDTQHZSA-N 2 2 257.378 -0.198 20 0 CBADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@@H]1C(=O)NCC[C@H]1C ZINC000660477410 420491311 /nfs/dbraw/zinc/49/13/11/420491311.db2.gz JSLHPTJWOTYCDN-WOPDTQHZSA-N 2 2 257.378 -0.198 20 0 CBADLP CC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)[C@H]1CCNC1=O ZINC000660475332 420491877 /nfs/dbraw/zinc/49/18/77/420491877.db2.gz BCDYKVANVOBSLU-RYUDHWBXSA-N 2 2 257.378 -0.102 20 0 CBADLP CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)[C@H]1CCNC1=O ZINC000660475332 420491879 /nfs/dbraw/zinc/49/18/79/420491879.db2.gz BCDYKVANVOBSLU-RYUDHWBXSA-N 2 2 257.378 -0.102 20 0 CBADLP CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)[C@H]1CCNC1=O ZINC000660475332 420491880 /nfs/dbraw/zinc/49/18/80/420491880.db2.gz BCDYKVANVOBSLU-RYUDHWBXSA-N 2 2 257.378 -0.102 20 0 CBADLP CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)[C@H]1CCNC1=O ZINC000660475332 420491882 /nfs/dbraw/zinc/49/18/82/420491882.db2.gz BCDYKVANVOBSLU-RYUDHWBXSA-N 2 2 257.378 -0.102 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(O)(COC)CC1 ZINC000518211467 260356256 /nfs/dbraw/zinc/35/62/56/260356256.db2.gz GXLQCUYMDNSLTI-ZDUSSCGKSA-N 2 2 290.404 -0.601 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC(O)(COC)CC1 ZINC000518211467 260356257 /nfs/dbraw/zinc/35/62/57/260356257.db2.gz GXLQCUYMDNSLTI-ZDUSSCGKSA-N 2 2 290.404 -0.601 20 0 CBADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC000518358890 260382699 /nfs/dbraw/zinc/38/26/99/260382699.db2.gz HQAFWPZAQODPFG-ZDUSSCGKSA-N 2 2 296.415 -0.392 20 0 CBADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC000518358890 260382702 /nfs/dbraw/zinc/38/27/02/260382702.db2.gz HQAFWPZAQODPFG-ZDUSSCGKSA-N 2 2 296.415 -0.392 20 0 CBADLP CCNC(=O)C[NH+]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000518358890 260382704 /nfs/dbraw/zinc/38/27/04/260382704.db2.gz HQAFWPZAQODPFG-ZDUSSCGKSA-N 2 2 296.415 -0.392 20 0 CBADLP CCNC(=O)C[NH+]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000518358890 260382706 /nfs/dbraw/zinc/38/27/06/260382706.db2.gz HQAFWPZAQODPFG-ZDUSSCGKSA-N 2 2 296.415 -0.392 20 0 CBADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000518941568 265234723 /nfs/dbraw/zinc/23/47/23/265234723.db2.gz KJQHLRZFEZDMOF-GHMZBOCLSA-N 3 2 255.366 -0.977 20 0 CBADLP C[N@H+]1CCN(C(=O)N[C@@H]2CCC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000518941568 265234725 /nfs/dbraw/zinc/23/47/25/265234725.db2.gz KJQHLRZFEZDMOF-GHMZBOCLSA-N 3 2 255.366 -0.977 20 0 CBADLP CN(C)c1[nH+]cc(C[NH2+]C[C@@H](O)Cn2cccn2)n1C ZINC000518964890 265252240 /nfs/dbraw/zinc/25/22/40/265252240.db2.gz FOIASQCQKHAQQW-GFCCVEGCSA-N 2 2 278.360 -0.167 20 0 CBADLP COCC[NH+]1CCN(C(=O)c2cn(CCC[NH3+])nn2)CC1 ZINC000519711601 265563931 /nfs/dbraw/zinc/56/39/31/265563931.db2.gz WVBNZJZCPCAYOJ-UHFFFAOYSA-N 2 2 296.375 -0.969 20 0 CBADLP CC[C@H](CNS(C)(=O)=O)[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000423153146 287863898 /nfs/dbraw/zinc/86/38/98/287863898.db2.gz GEYILDXPCIBMIZ-MXWKQRLJSA-N 2 2 263.407 -0.098 20 0 CBADLP CC[NH+](CC)CC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000176902243 276094634 /nfs/dbraw/zinc/09/46/34/276094634.db2.gz XFOKURGSFAPWGR-CQSZACIVSA-N 2 2 287.404 -0.472 20 0 CBADLP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](C)CC2)C1 ZINC000459921232 276114039 /nfs/dbraw/zinc/11/40/39/276114039.db2.gz PFDSBXOHFDVYSA-CYBMUJFWSA-N 2 2 296.415 -0.297 20 0 CBADLP CC1(C)NC(=O)N(CC[N@@H+]2CCC[C@@H]2C[NH3+])C1=O ZINC000123425685 276154144 /nfs/dbraw/zinc/15/41/44/276154144.db2.gz ZNFMWHYBRAWYSU-SECBINFHSA-N 2 2 254.334 -0.260 20 0 CBADLP CC1(C)NC(=O)N(CC[N@H+]2CCC[C@@H]2C[NH3+])C1=O ZINC000123425685 276154148 /nfs/dbraw/zinc/15/41/48/276154148.db2.gz ZNFMWHYBRAWYSU-SECBINFHSA-N 2 2 254.334 -0.260 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)NC[C@H](C)[N@H+](C)C2CC2)CC1 ZINC000342074580 276188341 /nfs/dbraw/zinc/18/83/41/276188341.db2.gz GAXVWWOZHLVMQQ-LBPRGKRZSA-N 2 2 296.415 -0.251 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)NC[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC000342074580 276188343 /nfs/dbraw/zinc/18/83/43/276188343.db2.gz GAXVWWOZHLVMQQ-LBPRGKRZSA-N 2 2 296.415 -0.251 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2CCC[N@H+](CC)CC2)CC1 ZINC000459917760 276380113 /nfs/dbraw/zinc/38/01/13/276380113.db2.gz FLOHQIZGEMUJGM-UHFFFAOYSA-N 2 2 296.415 -0.295 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2CCC[N@@H+](CC)CC2)CC1 ZINC000459917760 276380115 /nfs/dbraw/zinc/38/01/15/276380115.db2.gz FLOHQIZGEMUJGM-UHFFFAOYSA-N 2 2 296.415 -0.295 20 0 CBADLP CN(C)C(=O)C[NH+]1CCN(C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000685561243 545082004 /nfs/dbraw/zinc/08/20/04/545082004.db2.gz VKPPYESUTVNKBC-CQSZACIVSA-N 2 2 298.431 -0.853 20 0 CBADLP CN(C)C(=O)C[NH+]1CCN(C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000685561243 545082006 /nfs/dbraw/zinc/08/20/06/545082006.db2.gz VKPPYESUTVNKBC-CQSZACIVSA-N 2 2 298.431 -0.853 20 0 CBADLP CC[C@@H](Cn1cncn1)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000685645772 545082461 /nfs/dbraw/zinc/08/24/61/545082461.db2.gz ILDHWMRWGSDVKH-LBPRGKRZSA-N 2 2 280.376 -0.580 20 0 CBADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000515306185 277029706 /nfs/dbraw/zinc/02/97/06/277029706.db2.gz YILSCWSTXIKTJD-BDAKNGLRSA-N 2 2 256.268 -0.044 20 0 CBADLP C[NH2+]C[C@@](C)(O)C[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000515306185 277029707 /nfs/dbraw/zinc/02/97/07/277029707.db2.gz YILSCWSTXIKTJD-BDAKNGLRSA-N 2 2 256.268 -0.044 20 0 CBADLP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1cn(C)c(=O)n(C)c1=O ZINC000346693744 277033143 /nfs/dbraw/zinc/03/31/43/277033143.db2.gz PJWBSCYWTLRGRY-LLVKDONJSA-N 2 2 266.345 -0.732 20 0 CBADLP C[NH2+]C[C@H]1CCC[N@H+]1Cc1cn(C)c(=O)n(C)c1=O ZINC000346693744 277033144 /nfs/dbraw/zinc/03/31/44/277033144.db2.gz PJWBSCYWTLRGRY-LLVKDONJSA-N 2 2 266.345 -0.732 20 0 CBADLP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+]([C@@H]2COC[C@@H]2O)CC1 ZINC000361286212 277045274 /nfs/dbraw/zinc/04/52/74/277045274.db2.gz FTMMYGDQICBDKT-KFWWJZLASA-N 2 2 283.416 -0.152 20 0 CBADLP C[N@H+]1CCCC[C@@H]1CN1CC[NH+]([C@@H]2COC[C@@H]2O)CC1 ZINC000361286212 277045275 /nfs/dbraw/zinc/04/52/75/277045275.db2.gz FTMMYGDQICBDKT-KFWWJZLASA-N 2 2 283.416 -0.152 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCOC[C@@]23CCOC3)CC1 ZINC000366990797 277088903 /nfs/dbraw/zinc/08/89/03/277088903.db2.gz VCSSAWIOVJRMEB-HNNXBMFYSA-N 2 2 297.399 -0.358 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCOC[C@@]23CCOC3)CC1 ZINC000366990797 277088904 /nfs/dbraw/zinc/08/89/04/277088904.db2.gz VCSSAWIOVJRMEB-HNNXBMFYSA-N 2 2 297.399 -0.358 20 0 CBADLP C[N@@H+]1CC[C@@](O)(CNC(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492858461 277158442 /nfs/dbraw/zinc/15/84/42/277158442.db2.gz LIOJBOBRHNUVBT-ZZKXABKFSA-N 2 2 250.302 -0.394 20 0 CBADLP C[N@H+]1CC[C@@](O)(CNC(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492858461 277158443 /nfs/dbraw/zinc/15/84/43/277158443.db2.gz LIOJBOBRHNUVBT-ZZKXABKFSA-N 2 2 250.302 -0.394 20 0 CBADLP CNC(=O)C[N@H+](C)[C@@H]1CCC[NH+](CC(=O)NC)CC1 ZINC000428294531 277228276 /nfs/dbraw/zinc/22/82/76/277228276.db2.gz MMMNYQJGUMAKNT-LLVKDONJSA-N 2 2 270.377 -0.735 20 0 CBADLP CNC(=O)C[N@@H+](C)[C@@H]1CCC[NH+](CC(=O)NC)CC1 ZINC000428294531 277228277 /nfs/dbraw/zinc/22/82/77/277228277.db2.gz MMMNYQJGUMAKNT-LLVKDONJSA-N 2 2 270.377 -0.735 20 0 CBADLP CNC(=O)C[NH+](C)[C@@H]1CCC[N@H+](CC(=O)NC)CC1 ZINC000428294531 277228279 /nfs/dbraw/zinc/22/82/79/277228279.db2.gz MMMNYQJGUMAKNT-LLVKDONJSA-N 2 2 270.377 -0.735 20 0 CBADLP CNC(=O)C[NH+](C)[C@@H]1CCC[N@@H+](CC(=O)NC)CC1 ZINC000428294531 277228281 /nfs/dbraw/zinc/22/82/81/277228281.db2.gz MMMNYQJGUMAKNT-LLVKDONJSA-N 2 2 270.377 -0.735 20 0 CBADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@]23C[C@H]2CC[NH2+]3)C[C@H]1C ZINC000423903685 277317608 /nfs/dbraw/zinc/31/76/08/277317608.db2.gz WSHAOWUYSTVSDF-JMSVASOKSA-N 2 2 295.383 -0.166 20 0 CBADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@]23C[C@H]2CC[NH2+]3)C[C@H]1C ZINC000423903685 277317610 /nfs/dbraw/zinc/31/76/10/277317610.db2.gz WSHAOWUYSTVSDF-JMSVASOKSA-N 2 2 295.383 -0.166 20 0 CBADLP CC(=O)N1CCN(C(=O)[C@@H](C)[NH2+]CC2([NH3+])CCC2)CC1 ZINC000342130240 278036406 /nfs/dbraw/zinc/03/64/06/278036406.db2.gz LWHSQBBAZNUAMJ-LLVKDONJSA-N 2 2 282.388 -0.463 20 0 CBADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)C[C@H](C)[NH3+])CC1 ZINC000261845403 278136789 /nfs/dbraw/zinc/13/67/89/278136789.db2.gz LRZZJYIXZKJZRP-QWHCGFSZSA-N 2 2 296.415 -0.121 20 0 CBADLP CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@](C)(C[NH3+])C2)C1 ZINC000261721885 278142580 /nfs/dbraw/zinc/14/25/80/278142580.db2.gz NNIVQCCLNJJQCS-HIFRSBDPSA-N 2 2 296.415 -0.216 20 0 CBADLP CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@](C)(C[NH3+])C2)C1 ZINC000261721885 278142581 /nfs/dbraw/zinc/14/25/81/278142581.db2.gz NNIVQCCLNJJQCS-HIFRSBDPSA-N 2 2 296.415 -0.216 20 0 CBADLP CC(=O)N[C@H]1CCCN(C(=O)C[N@@H+](C)C2CC([NH3+])C2)C1 ZINC000514728544 278176739 /nfs/dbraw/zinc/17/67/39/278176739.db2.gz UGHNNVZHOOIDSF-CPCZMJQVSA-N 2 2 282.388 -0.465 20 0 CBADLP CC(=O)N[C@H]1CCCN(C(=O)C[N@H+](C)C2CC([NH3+])C2)C1 ZINC000514728544 278176740 /nfs/dbraw/zinc/17/67/40/278176740.db2.gz UGHNNVZHOOIDSF-CPCZMJQVSA-N 2 2 282.388 -0.465 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1[NH2+]CCO[C@@H]1C)C[NH+]1CCN(C)CC1 ZINC000344348734 278205664 /nfs/dbraw/zinc/20/56/64/278205664.db2.gz QNOGYIHAOJMETA-MGPQQGTHSA-N 2 2 298.431 -0.637 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1[NH2+]CCO[C@@H]1C)CN1CC[NH+](C)CC1 ZINC000344348734 278205666 /nfs/dbraw/zinc/20/56/66/278205666.db2.gz QNOGYIHAOJMETA-MGPQQGTHSA-N 2 2 298.431 -0.637 20 0 CBADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCCn2cc[nH+]c2)C[C@@H]1C ZINC000180752073 278397670 /nfs/dbraw/zinc/39/76/70/278397670.db2.gz UXYRFISLTRFYSQ-QWHCGFSZSA-N 2 2 295.387 -0.020 20 0 CBADLP C[C@@H](O)C[N@H+]1CCN(C(=O)NCCn2cc[nH+]c2)C[C@@H]1C ZINC000180752073 278397671 /nfs/dbraw/zinc/39/76/71/278397671.db2.gz UXYRFISLTRFYSQ-QWHCGFSZSA-N 2 2 295.387 -0.020 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000358024729 288097471 /nfs/dbraw/zinc/09/74/71/288097471.db2.gz MNMLCHPMZRHWAN-ZYHUDNBSSA-N 2 2 275.418 -0.050 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000358024729 288097473 /nfs/dbraw/zinc/09/74/73/288097473.db2.gz MNMLCHPMZRHWAN-ZYHUDNBSSA-N 2 2 275.418 -0.050 20 0 CBADLP C[C@@H]1OCC[C@@]1(C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000235436772 279046485 /nfs/dbraw/zinc/04/64/85/279046485.db2.gz BXGQVQZQWVATHR-WCQYABFASA-N 2 2 255.362 -0.083 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@@H]2COC[C@@H]2OC)CC1 ZINC000333869016 279343327 /nfs/dbraw/zinc/34/33/27/279343327.db2.gz OWGQMKJMDZRCHB-UPJWGTAASA-N 2 2 285.388 -0.458 20 0 CBADLP CC[C@@H](C(=O)N1CCC[N@H+](CC(N)=O)CC1)[NH+](C)C ZINC000370651744 280069409 /nfs/dbraw/zinc/06/94/09/280069409.db2.gz LDJFYLMNZHLUDZ-NSHDSACASA-N 2 2 270.377 -0.654 20 0 CBADLP CC[C@@H](C(=O)N1CCC[N@@H+](CC(N)=O)CC1)[NH+](C)C ZINC000370651744 280069415 /nfs/dbraw/zinc/06/94/15/280069415.db2.gz LDJFYLMNZHLUDZ-NSHDSACASA-N 2 2 270.377 -0.654 20 0 CBADLP CC[C@@H](C(=O)NC[C@H]1C[NH+]2CCN1CC2)[NH+](C)C ZINC000178974768 280078742 /nfs/dbraw/zinc/07/87/42/280078742.db2.gz DGZSZJXUXXIQEV-RYUDHWBXSA-N 2 2 254.378 -0.557 20 0 CBADLP C[C@]1(C[N@@H+]2CCN3C(=O)NC(=O)[C@H]3C2)CC[NH2+]C1 ZINC000262080938 280154687 /nfs/dbraw/zinc/15/46/87/280154687.db2.gz TVIGWBCNMFAKKP-SKDRFNHKSA-N 2 2 252.318 -0.778 20 0 CBADLP C[C@]1(C[N@H+]2CCN3C(=O)NC(=O)[C@H]3C2)CC[NH2+]C1 ZINC000262080938 280154690 /nfs/dbraw/zinc/15/46/90/280154690.db2.gz TVIGWBCNMFAKKP-SKDRFNHKSA-N 2 2 252.318 -0.778 20 0 CBADLP O=C1NCC[C@@H]1[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000245690364 280290210 /nfs/dbraw/zinc/29/02/10/280290210.db2.gz PGZSYMGMYCTPGL-STQMWFEESA-N 2 2 267.373 -0.081 20 0 CBADLP O=C1NCC[C@@H]1[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000245690364 280290213 /nfs/dbraw/zinc/29/02/13/280290213.db2.gz PGZSYMGMYCTPGL-STQMWFEESA-N 2 2 267.373 -0.081 20 0 CBADLP O=C1NCC[C@H]1[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000178202091 280290829 /nfs/dbraw/zinc/29/08/29/280290829.db2.gz PGZSYMGMYCTPGL-CHWSQXEVSA-N 2 2 267.373 -0.081 20 0 CBADLP O=C1NCC[C@H]1[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000178202091 280290831 /nfs/dbraw/zinc/29/08/31/280290831.db2.gz PGZSYMGMYCTPGL-CHWSQXEVSA-N 2 2 267.373 -0.081 20 0 CBADLP C[NH+](C)CC(=O)N1CC[NH+](C2(C(N)=O)CCCC2)CC1 ZINC000369103728 289074456 /nfs/dbraw/zinc/07/44/56/289074456.db2.gz SGIMJHXXKOTRJH-UHFFFAOYSA-N 2 2 282.388 -0.510 20 0 CBADLP C[NH+](C)CCNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000342667880 289160700 /nfs/dbraw/zinc/16/07/00/289160700.db2.gz UYRDSAQGEXBNJG-UHFFFAOYSA-N 3 2 285.436 -0.127 20 0 CBADLP C[C@H](C(=O)NC[C@H]1C[NH+]2CCN1CC2)[NH+]1CCSCC1 ZINC000179185804 289358595 /nfs/dbraw/zinc/35/85/95/289358595.db2.gz AAFVMXAEPCVOPN-OLZOCXBDSA-N 2 2 298.456 -0.460 20 0 CBADLP C[C@H](C(=O)N[C@@H](C)C[NH+]1CCOCC1)N1CC[NH+](C)CC1 ZINC000352778992 289359136 /nfs/dbraw/zinc/35/91/36/289359136.db2.gz MVVFGMZHAGXJSQ-UONOGXRCSA-N 2 2 298.431 -0.541 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+](CC(N)=O)C(C)(C)C)CC1 ZINC000093191341 290011588 /nfs/dbraw/zinc/01/15/88/290011588.db2.gz QKBKZXOXYLZLBA-UHFFFAOYSA-N 2 2 270.377 -0.654 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+](CC(N)=O)C(C)(C)C)CC1 ZINC000093191341 290011591 /nfs/dbraw/zinc/01/15/91/290011591.db2.gz QKBKZXOXYLZLBA-UHFFFAOYSA-N 2 2 270.377 -0.654 20 0 CBADLP COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428034371 293027748 /nfs/dbraw/zinc/02/77/48/293027748.db2.gz SVWDIHSUEPRDBW-SDDRHHMPSA-N 2 2 298.387 -0.469 20 0 CBADLP COC[C@H](C)NC(=O)NC(=O)C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428034371 293027752 /nfs/dbraw/zinc/02/77/52/293027752.db2.gz SVWDIHSUEPRDBW-SDDRHHMPSA-N 2 2 298.387 -0.469 20 0 CBADLP COC(=O)CCNC(=O)C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000581608413 336111771 /nfs/dbraw/zinc/11/17/71/336111771.db2.gz DEENKOTVNHUUFG-NXEZZACHSA-N 2 2 257.334 -0.665 20 0 CBADLP COC(=O)CCNC(=O)C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000581608413 336111772 /nfs/dbraw/zinc/11/17/72/336111772.db2.gz DEENKOTVNHUUFG-NXEZZACHSA-N 2 2 257.334 -0.665 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+](CCO)C1CCC1 ZINC000386364712 336171621 /nfs/dbraw/zinc/17/16/21/336171621.db2.gz QTMNSERDAQKLEO-ZDUSSCGKSA-N 2 2 260.378 -0.228 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+](CCO)C1CCC1 ZINC000386364712 336171623 /nfs/dbraw/zinc/17/16/23/336171623.db2.gz QTMNSERDAQKLEO-ZDUSSCGKSA-N 2 2 260.378 -0.228 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+](CCO)C1CCC1 ZINC000386364712 336171624 /nfs/dbraw/zinc/17/16/24/336171624.db2.gz QTMNSERDAQKLEO-ZDUSSCGKSA-N 2 2 260.378 -0.228 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000365540959 298135119 /nfs/dbraw/zinc/13/51/19/298135119.db2.gz UELBHEMOAGCUHA-WRWGMCAJSA-N 2 2 280.372 -0.014 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000365540959 298135121 /nfs/dbraw/zinc/13/51/21/298135121.db2.gz UELBHEMOAGCUHA-WRWGMCAJSA-N 2 2 280.372 -0.014 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000365540959 298135122 /nfs/dbraw/zinc/13/51/22/298135122.db2.gz UELBHEMOAGCUHA-WRWGMCAJSA-N 2 2 280.372 -0.014 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000365540959 298135124 /nfs/dbraw/zinc/13/51/24/298135124.db2.gz UELBHEMOAGCUHA-WRWGMCAJSA-N 2 2 280.372 -0.014 20 0 CBADLP C[C@H](NC(=O)C[N@@H+]1CC[C@@](C)(C[NH3+])C1)C(=O)N(C)C ZINC000261652025 299055268 /nfs/dbraw/zinc/05/52/68/299055268.db2.gz HMNQOYFQLXQXAP-GWCFXTLKSA-N 2 2 270.377 -0.750 20 0 CBADLP C[C@H](NC(=O)C[N@H+]1CC[C@@](C)(C[NH3+])C1)C(=O)N(C)C ZINC000261652025 299055270 /nfs/dbraw/zinc/05/52/70/299055270.db2.gz HMNQOYFQLXQXAP-GWCFXTLKSA-N 2 2 270.377 -0.750 20 0 CBADLP C[C@H](NC(=O)C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1)C(=O)N(C)C ZINC000430915996 299056253 /nfs/dbraw/zinc/05/62/53/299056253.db2.gz GAFWIWUYFMIHTJ-DCAQKATOSA-N 2 2 270.377 -0.752 20 0 CBADLP C[C@H](NC(=O)C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1)C(=O)N(C)C ZINC000430915996 299056257 /nfs/dbraw/zinc/05/62/57/299056257.db2.gz GAFWIWUYFMIHTJ-DCAQKATOSA-N 2 2 270.377 -0.752 20 0 CBADLP C[C@H](NC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C)C(=O)N(C)C ZINC000422640403 299057543 /nfs/dbraw/zinc/05/75/43/299057543.db2.gz VKWABWKBKXOVCM-CYDGBPFRSA-N 2 2 298.431 -0.116 20 0 CBADLP C[C@H](NC(=O)C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C)C(=O)N(C)C ZINC000422640403 299057545 /nfs/dbraw/zinc/05/75/45/299057545.db2.gz VKWABWKBKXOVCM-CYDGBPFRSA-N 2 2 298.431 -0.116 20 0 CBADLP C[C@H]1CN(C(=O)C2(C)C[NH2+]C2)C[C@H]1[NH+]1CCOCC1 ZINC000423428052 300109883 /nfs/dbraw/zinc/10/98/83/300109883.db2.gz JTZACMYVFYPIMW-NWDGAFQWSA-N 2 2 267.373 -0.225 20 0 CBADLP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@]12CCNC2=O)C1CC1 ZINC000576289775 335184185 /nfs/dbraw/zinc/18/41/85/335184185.db2.gz PHBYVFBAWSDSNA-TZMCWYRMSA-N 2 2 267.373 -0.204 20 0 CBADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@]12CCNC2=O)C1CC1 ZINC000576289775 335184186 /nfs/dbraw/zinc/18/41/86/335184186.db2.gz PHBYVFBAWSDSNA-TZMCWYRMSA-N 2 2 267.373 -0.204 20 0 CBADLP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@]12CCNC2=O)C1CC1 ZINC000576289775 335184187 /nfs/dbraw/zinc/18/41/87/335184187.db2.gz PHBYVFBAWSDSNA-TZMCWYRMSA-N 2 2 267.373 -0.204 20 0 CBADLP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@]12CCNC2=O)C1CC1 ZINC000576289775 335184188 /nfs/dbraw/zinc/18/41/88/335184188.db2.gz PHBYVFBAWSDSNA-TZMCWYRMSA-N 2 2 267.373 -0.204 20 0 CBADLP C[C@@H](C(=O)N1CCN(c2[nH]cc[nH+]2)CC1)[NH+]1CCOCC1 ZINC000570825299 327623155 /nfs/dbraw/zinc/62/31/55/327623155.db2.gz SYFMXCAZIPSVIX-LBPRGKRZSA-N 2 2 293.371 -0.221 20 0 CBADLP C[C@H](O)C[NH+]1CCN(C(=O)C[NH+]2CC(C)(C)C2)CC1 ZINC000580326326 327820884 /nfs/dbraw/zinc/82/08/84/327820884.db2.gz GIALHJFOTHWCJS-LBPRGKRZSA-N 2 2 269.389 -0.147 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH2+]C(C)(C)C(=O)N(C)C ZINC000563349583 328056950 /nfs/dbraw/zinc/05/69/50/328056950.db2.gz HLHKTCRUMOGHGT-NSHDSACASA-N 2 2 275.393 -0.618 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH2+]C(C)(C)C(=O)N(C)C ZINC000563349583 328056952 /nfs/dbraw/zinc/05/69/52/328056952.db2.gz HLHKTCRUMOGHGT-NSHDSACASA-N 2 2 275.393 -0.618 20 0 CBADLP COc1cc[nH+]cc1NC(=O)C(=O)N(C)CCC[NH3+] ZINC000563449347 328066283 /nfs/dbraw/zinc/06/62/83/328066283.db2.gz OVLZRHDBAABXTA-UHFFFAOYSA-N 2 2 266.301 -0.164 20 0 CBADLP CC(C)CNC(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000563441454 328066621 /nfs/dbraw/zinc/06/66/21/328066621.db2.gz LLZXKWHVUVMBAW-WDEREUQCSA-N 2 2 268.361 -0.998 20 0 CBADLP CC(C)CNC(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000563441454 328066623 /nfs/dbraw/zinc/06/66/23/328066623.db2.gz LLZXKWHVUVMBAW-WDEREUQCSA-N 2 2 268.361 -0.998 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000563559718 328074155 /nfs/dbraw/zinc/07/41/55/328074155.db2.gz TXLSKQOYBNOUID-GFCCVEGCSA-N 2 2 263.345 -0.921 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000563559720 328074160 /nfs/dbraw/zinc/07/41/60/328074160.db2.gz TXLSKQOYBNOUID-LBPRGKRZSA-N 2 2 263.345 -0.921 20 0 CBADLP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000563624137 328078163 /nfs/dbraw/zinc/07/81/63/328078163.db2.gz LJQKLDPBQLENTC-RYUDHWBXSA-N 2 2 295.387 -0.026 20 0 CBADLP CC(C)[N@@H+](C)C[C@@H](C)NC[C@H](O)C[NH+]1CCN(C)CC1 ZINC000571316237 328104785 /nfs/dbraw/zinc/10/47/85/328104785.db2.gz YKSZYNAJWKVIEP-CABCVRRESA-N 2 2 286.464 -0.087 20 0 CBADLP CC(C)[N@H+](C)C[C@@H](C)NC[C@H](O)C[NH+]1CCN(C)CC1 ZINC000571316237 328104787 /nfs/dbraw/zinc/10/47/87/328104787.db2.gz YKSZYNAJWKVIEP-CABCVRRESA-N 2 2 286.464 -0.087 20 0 CBADLP CC(C)[N@@H+](C)C[C@@H](C)NC[C@H](O)CN1CC[NH+](C)CC1 ZINC000571316237 328104789 /nfs/dbraw/zinc/10/47/89/328104789.db2.gz YKSZYNAJWKVIEP-CABCVRRESA-N 2 2 286.464 -0.087 20 0 CBADLP CC(C)[N@H+](C)C[C@@H](C)NC[C@H](O)CN1CC[NH+](C)CC1 ZINC000571316237 328104791 /nfs/dbraw/zinc/10/47/91/328104791.db2.gz YKSZYNAJWKVIEP-CABCVRRESA-N 2 2 286.464 -0.087 20 0 CBADLP C[NH+](C)[C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1O ZINC000571486078 328124829 /nfs/dbraw/zinc/12/48/29/328124829.db2.gz ZSWOTYFPBBGWDU-QWRGUYRKSA-N 2 2 252.318 -0.594 20 0 CBADLP C[C@H]([C@H](C)NC(=O)COC1CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000583992521 326832909 /nfs/dbraw/zinc/83/29/09/326832909.db2.gz PQEKDZGUDAIVPL-QWHCGFSZSA-N 2 2 299.415 -0.020 20 0 CBADLP CC[NH2+]CCCNC(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000584112336 327009973 /nfs/dbraw/zinc/00/99/73/327009973.db2.gz DUILASUQEPAWFU-UHFFFAOYSA-N 2 2 272.393 -0.441 20 0 CBADLP CC[NH2+]CCCNC(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000584112336 327009975 /nfs/dbraw/zinc/00/99/75/327009975.db2.gz DUILASUQEPAWFU-UHFFFAOYSA-N 2 2 272.393 -0.441 20 0 CBADLP CO[C@H](CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])C(C)C ZINC000576492208 327033555 /nfs/dbraw/zinc/03/35/55/327033555.db2.gz BLHJISCMTCCVEL-VXGBXAGGSA-N 2 2 272.393 -0.058 20 0 CBADLP CO[C@H](CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])C(C)C ZINC000576492208 327033556 /nfs/dbraw/zinc/03/35/56/327033556.db2.gz BLHJISCMTCCVEL-VXGBXAGGSA-N 2 2 272.393 -0.058 20 0 CBADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCNC(=O)c1cnccn1 ZINC000584166929 327054675 /nfs/dbraw/zinc/05/46/75/327054675.db2.gz RBENVRJCSVVXKS-GHMZBOCLSA-N 2 2 263.345 -0.206 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH2+][C@H]1C(=O)NCC[C@@H]1C ZINC000584180323 327060715 /nfs/dbraw/zinc/06/07/15/327060715.db2.gz JFTAGMWGRGRZKW-QJPTWQEYSA-N 2 2 273.377 -0.960 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1C(=O)NCC[C@@H]1C ZINC000584180323 327060717 /nfs/dbraw/zinc/06/07/17/327060717.db2.gz JFTAGMWGRGRZKW-QJPTWQEYSA-N 2 2 273.377 -0.960 20 0 CBADLP COC[C@H](O)C[NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000569340306 327098543 /nfs/dbraw/zinc/09/85/43/327098543.db2.gz GRVWXKFRWOMNAV-ZDEQEGDKSA-N 2 2 276.377 -0.947 20 0 CBADLP COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@H](C)[C@@H](C)[NH3+])C1 ZINC000569482181 327184267 /nfs/dbraw/zinc/18/42/67/327184267.db2.gz AQTHEPTUPLNVFB-IJLUTSLNSA-N 2 2 285.388 -0.029 20 0 CBADLP COC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@H](C)[C@@H](C)[NH3+])C1 ZINC000569482181 327184269 /nfs/dbraw/zinc/18/42/69/327184269.db2.gz AQTHEPTUPLNVFB-IJLUTSLNSA-N 2 2 285.388 -0.029 20 0 CBADLP C[NH2+][C@H](C(=O)N1CC[NH2+]C[C@@](C)(F)C1)c1cnn(C)c1 ZINC000584290717 327222966 /nfs/dbraw/zinc/22/29/66/327222966.db2.gz AOHGDQAVQVLDBH-WCQYABFASA-N 2 2 283.351 -0.159 20 0 CBADLP Cn1ccc(CC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])n1 ZINC000564944131 327247586 /nfs/dbraw/zinc/24/75/86/327247586.db2.gz IQDYKMAEXKLUOF-NSHDSACASA-N 2 2 251.334 -0.936 20 0 CBADLP C[C@H](c1nnnn1C)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000577730957 327279942 /nfs/dbraw/zinc/27/99/42/327279942.db2.gz ITVCSKVPYUXSDK-ZJUUUORDSA-N 2 2 281.364 -0.942 20 0 CBADLP C[C@H](c1nnnn1C)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000577730957 327279944 /nfs/dbraw/zinc/27/99/44/327279944.db2.gz ITVCSKVPYUXSDK-ZJUUUORDSA-N 2 2 281.364 -0.942 20 0 CBADLP COc1ccc(CC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])nc1 ZINC000578068544 327297773 /nfs/dbraw/zinc/29/77/73/327297773.db2.gz ITNPTNAHZMGYPB-LBPRGKRZSA-N 2 2 278.356 -0.266 20 0 CBADLP COc1ccc(CC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])nc1 ZINC000578068544 327297775 /nfs/dbraw/zinc/29/77/75/327297775.db2.gz ITNPTNAHZMGYPB-LBPRGKRZSA-N 2 2 278.356 -0.266 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000583375669 327332272 /nfs/dbraw/zinc/33/22/72/327332272.db2.gz NHBBUHHRCAHGPE-OLZOCXBDSA-N 2 2 294.399 -0.497 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](c2nnc[nH]2)C1 ZINC000583389802 327339805 /nfs/dbraw/zinc/33/98/05/327339805.db2.gz XLALNMVKHKIJOR-QWRGUYRKSA-N 2 2 253.350 -0.093 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](c2nnc[nH]2)C1 ZINC000583389802 327339806 /nfs/dbraw/zinc/33/98/06/327339806.db2.gz XLALNMVKHKIJOR-QWRGUYRKSA-N 2 2 253.350 -0.093 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000583389802 327339808 /nfs/dbraw/zinc/33/98/08/327339808.db2.gz XLALNMVKHKIJOR-QWRGUYRKSA-N 2 2 253.350 -0.093 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000583389802 327339809 /nfs/dbraw/zinc/33/98/09/327339809.db2.gz XLALNMVKHKIJOR-QWRGUYRKSA-N 2 2 253.350 -0.093 20 0 CBADLP [NH3+][C@H]1C[C@H]2C[N@@H+](CC(=O)N3CCCCC3)CCN2C1=O ZINC000583392800 327340709 /nfs/dbraw/zinc/34/07/09/327340709.db2.gz QFOSXPVBDBIOBO-RYUDHWBXSA-N 2 2 280.372 -0.757 20 0 CBADLP COC(=O)CC[C@H]([NH3+])C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000565028226 327399452 /nfs/dbraw/zinc/39/94/52/327399452.db2.gz BLKLIFVTWWHEFZ-QWRGUYRKSA-N 2 2 287.360 -0.896 20 0 CBADLP COC(=O)CC[C@H]([NH3+])C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000565028226 327399453 /nfs/dbraw/zinc/39/94/53/327399453.db2.gz BLKLIFVTWWHEFZ-QWRGUYRKSA-N 2 2 287.360 -0.896 20 0 CBADLP C[C@H](C(=O)N1CC[NH+](C[C@H](C)O)CC1)[NH+]1CC(C)C1 ZINC000570105104 327569576 /nfs/dbraw/zinc/56/95/76/327569576.db2.gz VMNXMZMUUXHFPH-QWHCGFSZSA-N 2 2 269.389 -0.148 20 0 CBADLP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC000582480663 329095423 /nfs/dbraw/zinc/09/54/23/329095423.db2.gz IIHVUDUBTXBFGR-GFCCVEGCSA-N 2 2 294.399 -0.497 20 0 CBADLP CC[C@@]1(O)CC[N@H+](C[C@@H](O)C[NH+](C)CCOC)C1 ZINC000582614566 329117710 /nfs/dbraw/zinc/11/77/10/329117710.db2.gz HTVRJXGKHYIFAV-QWHCGFSZSA-N 2 2 260.378 -0.228 20 0 CBADLP CC[C@@]1(O)CC[N@@H+](C[C@@H](O)C[NH+](C)CCOC)C1 ZINC000582614566 329117711 /nfs/dbraw/zinc/11/77/11/329117711.db2.gz HTVRJXGKHYIFAV-QWHCGFSZSA-N 2 2 260.378 -0.228 20 0 CBADLP CC[C@@]1(O)CC[NH+](C[C@@H](O)C[N@H+](C)CCOC)C1 ZINC000582614566 329117712 /nfs/dbraw/zinc/11/77/12/329117712.db2.gz HTVRJXGKHYIFAV-QWHCGFSZSA-N 2 2 260.378 -0.228 20 0 CBADLP CC[C@@]1(O)CC[NH+](C[C@@H](O)C[N@@H+](C)CCOC)C1 ZINC000582614566 329117713 /nfs/dbraw/zinc/11/77/13/329117713.db2.gz HTVRJXGKHYIFAV-QWHCGFSZSA-N 2 2 260.378 -0.228 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)C1(C(N)=O)CCCC1 ZINC000582704315 329127181 /nfs/dbraw/zinc/12/71/81/329127181.db2.gz VRBQGPGMSZYJTR-LBPRGKRZSA-N 2 2 287.404 -0.345 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)C1(C(N)=O)CCCC1 ZINC000582704315 329127182 /nfs/dbraw/zinc/12/71/82/329127182.db2.gz VRBQGPGMSZYJTR-LBPRGKRZSA-N 2 2 287.404 -0.345 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)C1(C(N)=O)CCCC1 ZINC000582704315 329127183 /nfs/dbraw/zinc/12/71/83/329127183.db2.gz VRBQGPGMSZYJTR-LBPRGKRZSA-N 2 2 287.404 -0.345 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)C1(C(N)=O)CCCC1 ZINC000582704315 329127184 /nfs/dbraw/zinc/12/71/84/329127184.db2.gz VRBQGPGMSZYJTR-LBPRGKRZSA-N 2 2 287.404 -0.345 20 0 CBADLP CCOC[C@@H](O)C[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000582905061 329284061 /nfs/dbraw/zinc/28/40/61/329284061.db2.gz AMPJJPQLLZKEFS-OLZOCXBDSA-N 2 2 260.378 -0.180 20 0 CBADLP CCOC[C@@H](O)C[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000582905061 329284063 /nfs/dbraw/zinc/28/40/63/329284063.db2.gz AMPJJPQLLZKEFS-OLZOCXBDSA-N 2 2 260.378 -0.180 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000572360813 330004079 /nfs/dbraw/zinc/00/40/79/330004079.db2.gz LMXOWKPFAJQTBG-QWHCGFSZSA-N 2 2 294.399 -0.734 20 0 CBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C[NH2+]C2CC2)C[C@@H]1C ZINC000572406185 330064122 /nfs/dbraw/zinc/06/41/22/330064122.db2.gz JKRGXCSCLSUOQE-NSHDSACASA-N 2 2 283.372 -0.166 20 0 CBADLP COC(=O)CC[N@H+]1CCN(C(=O)C[NH2+]C2CC2)C[C@@H]1C ZINC000572406185 330064124 /nfs/dbraw/zinc/06/41/24/330064124.db2.gz JKRGXCSCLSUOQE-NSHDSACASA-N 2 2 283.372 -0.166 20 0 CBADLP C[NH+](C)[C@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@@H]1O ZINC000572421537 330066901 /nfs/dbraw/zinc/06/69/01/330066901.db2.gz BWVAIYWNYPXBRK-SRVKXCTJSA-N 2 2 278.356 -0.421 20 0 CBADLP C[NH+](C)CCN(C(=O)CN1CC[NH2+]CC1=O)C1CCCC1 ZINC000580432545 330131889 /nfs/dbraw/zinc/13/18/89/330131889.db2.gz MJOWKVNZCDIGMV-UHFFFAOYSA-N 2 2 296.415 -0.249 20 0 CBADLP C[N@H+]1CCN(C(=O)CN2CCCCCC2=O)[C@@H](C[NH3+])C1 ZINC000575399530 335100130 /nfs/dbraw/zinc/10/01/30/335100130.db2.gz FIWQEKJIUAQVAV-LBPRGKRZSA-N 2 2 282.388 -0.510 20 0 CBADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+][C@@H]2CCC[C@H]2O)C[C@H](C)O1 ZINC000575803438 335116781 /nfs/dbraw/zinc/11/67/81/335116781.db2.gz NEHCLSQVBQPLLN-XVIXHAIJSA-N 2 2 272.389 -0.041 20 0 CBADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+][C@@H]2CCC[C@H]2O)C[C@H](C)O1 ZINC000575803438 335116782 /nfs/dbraw/zinc/11/67/82/335116782.db2.gz NEHCLSQVBQPLLN-XVIXHAIJSA-N 2 2 272.389 -0.041 20 0 CBADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+][C@@H]2CCC[C@H]2O)C[C@@H](C)O1 ZINC000575803437 335116836 /nfs/dbraw/zinc/11/68/36/335116836.db2.gz NEHCLSQVBQPLLN-RKQHYHRCSA-N 2 2 272.389 -0.041 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)CC1(CO)CC1 ZINC000575932588 335132971 /nfs/dbraw/zinc/13/29/71/335132971.db2.gz OJIVGGOTNBRQLQ-LBPRGKRZSA-N 2 2 260.378 -0.370 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)CC1(CO)CC1 ZINC000575932588 335132972 /nfs/dbraw/zinc/13/29/72/335132972.db2.gz OJIVGGOTNBRQLQ-LBPRGKRZSA-N 2 2 260.378 -0.370 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)CC1(CO)CC1 ZINC000575932588 335132973 /nfs/dbraw/zinc/13/29/73/335132973.db2.gz OJIVGGOTNBRQLQ-LBPRGKRZSA-N 2 2 260.378 -0.370 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)CC1(CO)CC1 ZINC000575932588 335132974 /nfs/dbraw/zinc/13/29/74/335132974.db2.gz OJIVGGOTNBRQLQ-LBPRGKRZSA-N 2 2 260.378 -0.370 20 0 CBADLP COC[C@@H](C)OC[C@@H](O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000575999704 335140340 /nfs/dbraw/zinc/14/03/40/335140340.db2.gz KZBAIPGWIQPCHQ-OLZOCXBDSA-N 2 2 298.387 -0.056 20 0 CBADLP CC(C)NC(=O)NCC[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000564208198 333611609 /nfs/dbraw/zinc/61/16/09/333611609.db2.gz QTUDAROLFCRBBC-UHFFFAOYSA-N 2 2 299.419 -0.600 20 0 CBADLP COC[C@@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)C[C@@H](C)O1 ZINC000251926157 334372104 /nfs/dbraw/zinc/37/21/04/334372104.db2.gz SRTUOOJQNNYQKV-OLZOCXBDSA-N 2 2 285.388 -0.504 20 0 CBADLP COC[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)C[C@@H](C)O1 ZINC000251926157 334372105 /nfs/dbraw/zinc/37/21/05/334372105.db2.gz SRTUOOJQNNYQKV-OLZOCXBDSA-N 2 2 285.388 -0.504 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000091538625 334379912 /nfs/dbraw/zinc/37/99/12/334379912.db2.gz KZJKVKAHGLZCGJ-CQSZACIVSA-N 2 2 298.431 -0.587 20 0 CBADLP C[C@H](CN1CCOCC1)[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000091538625 334379913 /nfs/dbraw/zinc/37/99/13/334379913.db2.gz KZJKVKAHGLZCGJ-CQSZACIVSA-N 2 2 298.431 -0.587 20 0 CBADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]Cc2cnn(C)c2)C[C@H](C)O1 ZINC000553458418 334386378 /nfs/dbraw/zinc/38/63/78/334386378.db2.gz ZSAONVHPQRPNSM-SCRDCRAPSA-N 2 2 282.388 -0.020 20 0 CBADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]Cc2cnn(C)c2)C[C@H](C)O1 ZINC000553458418 334386380 /nfs/dbraw/zinc/38/63/80/334386380.db2.gz ZSAONVHPQRPNSM-SCRDCRAPSA-N 2 2 282.388 -0.020 20 0 CBADLP O=C(NC[C@@H]1C[NH+]2CCN1CC2)[C@H]1CCc2c[nH+]cn2C1 ZINC000565661684 334585762 /nfs/dbraw/zinc/58/57/62/334585762.db2.gz SZVKSQJZYXCAHS-GXTWGEPZSA-N 2 2 289.383 -0.439 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000566151142 334628786 /nfs/dbraw/zinc/62/87/86/334628786.db2.gz UZHKQRKYOUFJFR-ZDUSSCGKSA-N 2 2 294.399 -0.591 20 0 CBADLP CNC(=O)CCC[NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000566732654 334661876 /nfs/dbraw/zinc/66/18/76/334661876.db2.gz GKIDDHSBQQSQPG-AVGNSLFASA-N 2 2 287.404 -0.428 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+](C)CCNC(=O)N(C)C ZINC000576289213 335184205 /nfs/dbraw/zinc/18/42/05/335184205.db2.gz YETTWBNVZCJNJB-NSHDSACASA-N 2 2 260.382 -0.498 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)CCNC(=O)N(C)C ZINC000576289213 335184206 /nfs/dbraw/zinc/18/42/06/335184206.db2.gz YETTWBNVZCJNJB-NSHDSACASA-N 2 2 260.382 -0.498 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@H+](C)CCNC(=O)N(C)C ZINC000576289213 335184207 /nfs/dbraw/zinc/18/42/07/335184207.db2.gz YETTWBNVZCJNJB-NSHDSACASA-N 2 2 260.382 -0.498 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)CCNC(=O)N(C)C ZINC000576289213 335184208 /nfs/dbraw/zinc/18/42/08/335184208.db2.gz YETTWBNVZCJNJB-NSHDSACASA-N 2 2 260.382 -0.498 20 0 CBADLP C[C@@H](C[NH+](C)C)NC[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000576459643 335206143 /nfs/dbraw/zinc/20/61/43/335206143.db2.gz IVIIIDUQQHUVCC-FQUUOJAGSA-N 2 2 273.421 -0.004 20 0 CBADLP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000576529778 335216170 /nfs/dbraw/zinc/21/61/70/335216170.db2.gz OWOPBWGTRHGWND-LLVKDONJSA-N 2 2 293.371 -0.079 20 0 CBADLP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000576529778 335216172 /nfs/dbraw/zinc/21/61/72/335216172.db2.gz OWOPBWGTRHGWND-LLVKDONJSA-N 2 2 293.371 -0.079 20 0 CBADLP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000576529778 335216173 /nfs/dbraw/zinc/21/61/73/335216173.db2.gz OWOPBWGTRHGWND-LLVKDONJSA-N 2 2 293.371 -0.079 20 0 CBADLP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000576529778 335216175 /nfs/dbraw/zinc/21/61/75/335216175.db2.gz OWOPBWGTRHGWND-LLVKDONJSA-N 2 2 293.371 -0.079 20 0 CBADLP C[C@@H]1C[C@@H](NC(=O)CN2CC[NH2+]CC2=O)CC[N@H+]1C ZINC000580560468 335280978 /nfs/dbraw/zinc/28/09/78/335280978.db2.gz HIYIAFSDOMRKRS-MNOVXSKESA-N 2 2 268.361 -0.983 20 0 CBADLP C[C@@H]1CN(C(=O)[C@]23C[C@H]2CC[NH2+]3)C[C@H]1[NH+]1CCOCC1 ZINC000577066102 335294455 /nfs/dbraw/zinc/29/44/55/335294455.db2.gz JKKGUEAJZMBQEP-BHPKHCPMSA-N 2 2 279.384 -0.083 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000577404340 335349124 /nfs/dbraw/zinc/34/91/24/335349124.db2.gz JVOOXSZSUWWDAR-LBPRGKRZSA-N 2 2 266.345 -0.154 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000577404340 335349126 /nfs/dbraw/zinc/34/91/26/335349126.db2.gz JVOOXSZSUWWDAR-LBPRGKRZSA-N 2 2 266.345 -0.154 20 0 CBADLP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000577489235 335355243 /nfs/dbraw/zinc/35/52/43/335355243.db2.gz QVTAEKNCQORZAS-DCAQKATOSA-N 3 2 257.382 -0.604 20 0 CBADLP C[C@H](CNC(=O)[C@H]1CC[NH2+][C@H]1C)[NH+]1CCN(C)CC1 ZINC000577489820 335358130 /nfs/dbraw/zinc/35/81/30/335358130.db2.gz ZGGIVRKDHLMIBP-AGIUHOORSA-N 2 2 268.405 -0.264 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1CC[NH2+][C@H]1C)[NH+]1CCN(C)CC1 ZINC000577489821 335358226 /nfs/dbraw/zinc/35/82/26/335358226.db2.gz ZGGIVRKDHLMIBP-AVGNSLFASA-N 2 2 268.405 -0.264 20 0 CBADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]C[C@H](O)C(F)F)C[C@H](C)O1 ZINC000577492830 335358622 /nfs/dbraw/zinc/35/86/22/335358622.db2.gz NZFJUEJGGPXFGC-YTWAJWBKSA-N 2 2 282.331 -0.328 20 0 CBADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]C[C@H](O)C(F)F)C[C@H](C)O1 ZINC000577492830 335358623 /nfs/dbraw/zinc/35/86/23/335358623.db2.gz NZFJUEJGGPXFGC-YTWAJWBKSA-N 2 2 282.331 -0.328 20 0 CBADLP C[C@@H](C(N)=O)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177379141 335371328 /nfs/dbraw/zinc/37/13/28/335371328.db2.gz YXCWDEPWMCBMSK-NSHDSACASA-N 2 2 256.394 -0.182 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177379141 335371329 /nfs/dbraw/zinc/37/13/29/335371329.db2.gz YXCWDEPWMCBMSK-NSHDSACASA-N 2 2 256.394 -0.182 20 0 CBADLP C[C@@H](C(N)=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000177379141 335371330 /nfs/dbraw/zinc/37/13/30/335371330.db2.gz YXCWDEPWMCBMSK-NSHDSACASA-N 2 2 256.394 -0.182 20 0 CBADLP C[C@@H](C(N)=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000177379141 335371331 /nfs/dbraw/zinc/37/13/31/335371331.db2.gz YXCWDEPWMCBMSK-NSHDSACASA-N 2 2 256.394 -0.182 20 0 CBADLP C[C@H](C(N)=O)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177379154 335371156 /nfs/dbraw/zinc/37/11/56/335371156.db2.gz YXCWDEPWMCBMSK-LLVKDONJSA-N 2 2 256.394 -0.182 20 0 CBADLP C[C@H](C(N)=O)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177379154 335371158 /nfs/dbraw/zinc/37/11/58/335371158.db2.gz YXCWDEPWMCBMSK-LLVKDONJSA-N 2 2 256.394 -0.182 20 0 CBADLP C[C@H](C(N)=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000177379154 335371159 /nfs/dbraw/zinc/37/11/59/335371159.db2.gz YXCWDEPWMCBMSK-LLVKDONJSA-N 2 2 256.394 -0.182 20 0 CBADLP C[C@H](C(N)=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000177379154 335371161 /nfs/dbraw/zinc/37/11/61/335371161.db2.gz YXCWDEPWMCBMSK-LLVKDONJSA-N 2 2 256.394 -0.182 20 0 CBADLP CN(CC[N@H+](C)CC(=O)NC(N)=O)C1CC[NH+](C)CC1 ZINC000177374692 335371355 /nfs/dbraw/zinc/37/13/55/335371355.db2.gz XTMLGFFQQRWVDO-UHFFFAOYSA-N 2 2 285.392 -0.861 20 0 CBADLP CN(CC[N@@H+](C)CC(=O)NC(N)=O)C1CC[NH+](C)CC1 ZINC000177374692 335371356 /nfs/dbraw/zinc/37/13/56/335371356.db2.gz XTMLGFFQQRWVDO-UHFFFAOYSA-N 2 2 285.392 -0.861 20 0 CBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)CC(=O)NC(N)=O ZINC000177374692 335371357 /nfs/dbraw/zinc/37/13/57/335371357.db2.gz XTMLGFFQQRWVDO-UHFFFAOYSA-N 2 2 285.392 -0.861 20 0 CBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)CC(=O)NC(N)=O ZINC000177374692 335371358 /nfs/dbraw/zinc/37/13/58/335371358.db2.gz XTMLGFFQQRWVDO-UHFFFAOYSA-N 2 2 285.392 -0.861 20 0 CBADLP C[NH2+]CCN(C)C(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000577728764 335393397 /nfs/dbraw/zinc/39/33/97/335393397.db2.gz RKEATYMBJZUPGC-UHFFFAOYSA-N 2 2 258.366 -0.879 20 0 CBADLP C[NH2+]CCN(C)C(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000577728764 335393399 /nfs/dbraw/zinc/39/33/99/335393399.db2.gz RKEATYMBJZUPGC-UHFFFAOYSA-N 2 2 258.366 -0.879 20 0 CBADLP CC[NH+]1CCN(C(=O)CNC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000577755803 335397928 /nfs/dbraw/zinc/39/79/28/335397928.db2.gz GRGGAWSNDNUGFE-UHFFFAOYSA-N 2 2 293.371 -0.377 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NCCOCC[NH+](C)C ZINC000580792980 335967733 /nfs/dbraw/zinc/96/77/33/335967733.db2.gz LMZSKVHQGDFNPY-UHFFFAOYSA-N 2 2 254.334 -0.343 20 0 CBADLP C[C@@H]1CCCN(C(=O)C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C1 ZINC000581142629 336015405 /nfs/dbraw/zinc/01/54/05/336015405.db2.gz PNXSJTHAHQNTQD-FRRDWIJNSA-N 2 2 294.399 -0.511 20 0 CBADLP C[C@@H]1CCCN(C(=O)C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C1 ZINC000581142629 336015406 /nfs/dbraw/zinc/01/54/06/336015406.db2.gz PNXSJTHAHQNTQD-FRRDWIJNSA-N 2 2 294.399 -0.511 20 0 CBADLP C[C@@H]1CC[C@@H](CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])O1 ZINC000581300349 336041481 /nfs/dbraw/zinc/04/14/81/336041481.db2.gz LWAQCBWYWJXNLY-WOPDTQHZSA-N 2 2 270.377 -0.162 20 0 CBADLP C[C@@H]1CC[C@@H](CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])O1 ZINC000581300349 336041483 /nfs/dbraw/zinc/04/14/83/336041483.db2.gz LWAQCBWYWJXNLY-WOPDTQHZSA-N 2 2 270.377 -0.162 20 0 CBADLP C[C@@H]1CC[C@@H](CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])O1 ZINC000581300348 336041615 /nfs/dbraw/zinc/04/16/15/336041615.db2.gz LWAQCBWYWJXNLY-UTUOFQBUSA-N 2 2 270.377 -0.162 20 0 CBADLP C[C@@H]1CC[C@@H](CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])O1 ZINC000581300348 336041616 /nfs/dbraw/zinc/04/16/16/336041616.db2.gz LWAQCBWYWJXNLY-UTUOFQBUSA-N 2 2 270.377 -0.162 20 0 CBADLP [NH3+][C@@H]1C[C@H]2C[N@H+](C[C@H]3CCC[NH2+]C3)CCN2C1=O ZINC000581499888 336091103 /nfs/dbraw/zinc/09/11/03/336091103.db2.gz VWJWBZFHNZQZFX-SDDRHHMPSA-N 3 2 252.362 -0.770 20 0 CBADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](C[C@H]3CCC[NH2+]C3)CCN2C1=O ZINC000581499888 336091105 /nfs/dbraw/zinc/09/11/05/336091105.db2.gz VWJWBZFHNZQZFX-SDDRHHMPSA-N 3 2 252.362 -0.770 20 0 CBADLP C[C@H](C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])c1cnn(C)c1 ZINC000581547247 336099923 /nfs/dbraw/zinc/09/99/23/336099923.db2.gz KGVSJEUZCPINFQ-JQWIXIFHSA-N 2 2 265.361 -0.375 20 0 CBADLP C[C@H](C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])c1cnn(C)c1 ZINC000581547247 336099924 /nfs/dbraw/zinc/09/99/24/336099924.db2.gz KGVSJEUZCPINFQ-JQWIXIFHSA-N 2 2 265.361 -0.375 20 0 CBADLP C[C@@H](NC(=O)[C@H]1C[N@@H+]2CCN1CCC2)c1[nH]cc[nH+]1 ZINC000581617840 336113568 /nfs/dbraw/zinc/11/35/68/336113568.db2.gz FZTIPYDYEJFYID-GHMZBOCLSA-N 2 2 263.345 -0.023 20 0 CBADLP C[C@@H](NC(=O)[C@H]1C[N@H+]2CCN1CCC2)c1[nH]cc[nH+]1 ZINC000581617840 336113569 /nfs/dbraw/zinc/11/35/69/336113569.db2.gz FZTIPYDYEJFYID-GHMZBOCLSA-N 2 2 263.345 -0.023 20 0 CBADLP Cn1c(C[N@H+](C)C2(C[NH3+])CCC2)cc(=O)n(C)c1=O ZINC000385379194 336145026 /nfs/dbraw/zinc/14/50/26/336145026.db2.gz RSBHSOZMVNURFX-UHFFFAOYSA-N 2 2 266.345 -0.603 20 0 CBADLP Cn1c(C[N@@H+](C)C2(C[NH3+])CCC2)cc(=O)n(C)c1=O ZINC000385379194 336145028 /nfs/dbraw/zinc/14/50/28/336145028.db2.gz RSBHSOZMVNURFX-UHFFFAOYSA-N 2 2 266.345 -0.603 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1CCO ZINC000386325762 336170856 /nfs/dbraw/zinc/17/08/56/336170856.db2.gz JFROCKUANHOIJU-STQMWFEESA-N 2 2 260.378 -0.228 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1CCO ZINC000386325762 336170858 /nfs/dbraw/zinc/17/08/58/336170858.db2.gz JFROCKUANHOIJU-STQMWFEESA-N 2 2 260.378 -0.228 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]1CCO ZINC000386325762 336170860 /nfs/dbraw/zinc/17/08/60/336170860.db2.gz JFROCKUANHOIJU-STQMWFEESA-N 2 2 260.378 -0.228 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]1CCO ZINC000386325762 336170861 /nfs/dbraw/zinc/17/08/61/336170861.db2.gz JFROCKUANHOIJU-STQMWFEESA-N 2 2 260.378 -0.228 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+](CCO)C1CCC1 ZINC000386364712 336171620 /nfs/dbraw/zinc/17/16/20/336171620.db2.gz QTMNSERDAQKLEO-ZDUSSCGKSA-N 2 2 260.378 -0.228 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)NCC[NH+](C)C)CCO1 ZINC000762421774 582317427 /nfs/dbraw/zinc/31/74/27/582317427.db2.gz CKYVWIRSDLNSEW-NSHDSACASA-N 2 2 258.366 -0.432 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)NCC[NH+](C)C)CCO1 ZINC000762421774 582317428 /nfs/dbraw/zinc/31/74/28/582317428.db2.gz CKYVWIRSDLNSEW-NSHDSACASA-N 2 2 258.366 -0.432 20 0 CBADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1N1CC[NH+](C)CC1 ZINC000377081139 533903016 /nfs/dbraw/zinc/90/30/16/533903016.db2.gz UBRLFSWSQNIFML-KGLIPLIRSA-N 2 2 268.405 -0.056 20 0 CBADLP CC[NH+]1CCC([N@H+](C)CC(=O)N2CCNC(=O)C2)CC1 ZINC000157465119 521557357 /nfs/dbraw/zinc/55/73/57/521557357.db2.gz FNGJYLPEJFHDMD-UHFFFAOYSA-N 2 2 282.388 -0.639 20 0 CBADLP CC[NH+]1CCC([N@@H+](C)CC(=O)N2CCNC(=O)C2)CC1 ZINC000157465119 521557362 /nfs/dbraw/zinc/55/73/62/521557362.db2.gz FNGJYLPEJFHDMD-UHFFFAOYSA-N 2 2 282.388 -0.639 20 0 CBADLP COCCC[N@H+](C)CCNC(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000357335622 536507196 /nfs/dbraw/zinc/50/71/96/536507196.db2.gz SICBODCPPUTRBA-CYBMUJFWSA-N 2 2 287.404 -0.208 20 0 CBADLP COCCC[N@@H+](C)CCNC(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000357335622 536507201 /nfs/dbraw/zinc/50/72/01/536507201.db2.gz SICBODCPPUTRBA-CYBMUJFWSA-N 2 2 287.404 -0.208 20 0 CBADLP CCOC(=O)[C@@](C)(O)C[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000354819005 527920543 /nfs/dbraw/zinc/92/05/43/527920543.db2.gz NJVDLZDZBJBUCX-AWEZNQCLSA-N 2 2 296.371 -0.159 20 0 CBADLP CCNC(=O)C[NH+]1CCC(N2CC[N@H+](C)CC2=O)CC1 ZINC000378593293 528085426 /nfs/dbraw/zinc/08/54/26/528085426.db2.gz DJHNPIFIHKSNMD-UHFFFAOYSA-N 2 2 282.388 -0.639 20 0 CBADLP CCNC(=O)C[NH+]1CCC(N2CC[N@@H+](C)CC2=O)CC1 ZINC000378593293 528085432 /nfs/dbraw/zinc/08/54/32/528085432.db2.gz DJHNPIFIHKSNMD-UHFFFAOYSA-N 2 2 282.388 -0.639 20 0 CBADLP CCOC(=O)CN(C)C(=O)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000114479120 528783883 /nfs/dbraw/zinc/78/38/83/528783883.db2.gz CCZBECCNCQWNOZ-LBPRGKRZSA-N 2 2 285.388 -0.109 20 0 CBADLP CCOC(=O)CN(C)C(=O)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000114479120 528783889 /nfs/dbraw/zinc/78/38/89/528783889.db2.gz CCZBECCNCQWNOZ-LBPRGKRZSA-N 2 2 285.388 -0.109 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)CCCC(=O)NC)CC1 ZINC000179013826 529131649 /nfs/dbraw/zinc/13/16/49/529131649.db2.gz GMIBZADBZVGORO-ZDUSSCGKSA-N 2 2 298.431 -0.003 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)CCCC(=O)NC)CC1 ZINC000179013826 529131647 /nfs/dbraw/zinc/13/16/47/529131647.db2.gz GMIBZADBZVGORO-ZDUSSCGKSA-N 2 2 298.431 -0.003 20 0 CBADLP C[NH2+][C@H](C(=O)N1CC[N@H+](C)C[C@H]1C)c1cnn(C)c1 ZINC000357240013 536380556 /nfs/dbraw/zinc/38/05/56/536380556.db2.gz KXWBPTBGDJDNBD-PWSUYJOCSA-N 2 2 265.361 -0.157 20 0 CBADLP C[NH2+][C@H](C(=O)N1CC[N@@H+](C)C[C@H]1C)c1cnn(C)c1 ZINC000357240013 536380557 /nfs/dbraw/zinc/38/05/57/536380557.db2.gz KXWBPTBGDJDNBD-PWSUYJOCSA-N 2 2 265.361 -0.157 20 0 CBADLP C[N@H+](C[C@@H](O)Cn1cccn1)C1CC[NH+](CCO)CC1 ZINC000357722672 536420540 /nfs/dbraw/zinc/42/05/40/536420540.db2.gz SFAJETIIFKUXAS-CQSZACIVSA-N 2 2 282.388 -0.368 20 0 CBADLP C[N@@H+](C[C@@H](O)Cn1cccn1)C1CC[NH+](CCO)CC1 ZINC000357722672 536420544 /nfs/dbraw/zinc/42/05/44/536420544.db2.gz SFAJETIIFKUXAS-CQSZACIVSA-N 2 2 282.388 -0.368 20 0 CBADLP CN(C)C(=O)C[NH+]1CCN(C(=O)C[C@H]([NH3+])C2CC2)CC1 ZINC000137309683 582126123 /nfs/dbraw/zinc/12/61/23/582126123.db2.gz MEXIIYOPMRTORC-LBPRGKRZSA-N 2 2 282.388 -0.654 20 0 CBADLP CC1(C)C[N@H+](CCNC(=O)CC[NH+]2CCOCC2)CCO1 ZINC000725729275 582135289 /nfs/dbraw/zinc/13/52/89/582135289.db2.gz QJZXJAJCTQPMBZ-UHFFFAOYSA-N 2 2 299.415 -0.064 20 0 CBADLP CC1(C)C[N@@H+](CCNC(=O)CC[NH+]2CCOCC2)CCO1 ZINC000725729275 582135290 /nfs/dbraw/zinc/13/52/90/582135290.db2.gz QJZXJAJCTQPMBZ-UHFFFAOYSA-N 2 2 299.415 -0.064 20 0 CBADLP C[N@H+](CCN1CCCC1=O)C[C@H](O)C[NH+]1CCCC1 ZINC000733032324 582161328 /nfs/dbraw/zinc/16/13/28/582161328.db2.gz BTBGHZWTIHSSHQ-ZDUSSCGKSA-N 2 2 269.389 -0.003 20 0 CBADLP C[N@@H+](CCN1CCCC1=O)C[C@H](O)C[NH+]1CCCC1 ZINC000733032324 582161329 /nfs/dbraw/zinc/16/13/29/582161329.db2.gz BTBGHZWTIHSSHQ-ZDUSSCGKSA-N 2 2 269.389 -0.003 20 0 CBADLP Cn1nc2c(cc1=O)C[N@@H+](C[C@@H](O)C[NH+]1CCCC1)CC2 ZINC000742428336 582273154 /nfs/dbraw/zinc/27/31/54/582273154.db2.gz IURGMTSTJQGLNS-ZDUSSCGKSA-N 2 2 292.383 -0.405 20 0 CBADLP Cn1nc2c(cc1=O)C[N@H+](C[C@@H](O)C[NH+]1CCCC1)CC2 ZINC000742428336 582273156 /nfs/dbraw/zinc/27/31/56/582273156.db2.gz IURGMTSTJQGLNS-ZDUSSCGKSA-N 2 2 292.383 -0.405 20 0 CBADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCS(N)(=O)=O)C1 ZINC000746666936 582285126 /nfs/dbraw/zinc/28/51/26/582285126.db2.gz FFEADKKLIHGVEE-GFCCVEGCSA-N 2 2 275.418 -0.061 20 0 CBADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCS(N)(=O)=O)C1 ZINC000746666936 582285127 /nfs/dbraw/zinc/28/51/27/582285127.db2.gz FFEADKKLIHGVEE-GFCCVEGCSA-N 2 2 275.418 -0.061 20 0 CBADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCS(N)(=O)=O)C1 ZINC000746666936 582285128 /nfs/dbraw/zinc/28/51/28/582285128.db2.gz FFEADKKLIHGVEE-GFCCVEGCSA-N 2 2 275.418 -0.061 20 0 CBADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCS(N)(=O)=O)C1 ZINC000746666936 582285129 /nfs/dbraw/zinc/28/51/29/582285129.db2.gz FFEADKKLIHGVEE-GFCCVEGCSA-N 2 2 275.418 -0.061 20 0 CBADLP NC(=O)C1([NH2+]C[C@H](O)C[NH+]2CCCC2)CCCC1 ZINC000749352772 582289459 /nfs/dbraw/zinc/28/94/59/582289459.db2.gz QGBYCNAKQBEKGL-NSHDSACASA-N 2 2 255.362 -0.169 20 0 CBADLP NS(=O)(=O)CC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000749843892 582290379 /nfs/dbraw/zinc/29/03/79/582290379.db2.gz GQITZQRPCNPNOZ-SECBINFHSA-N 2 2 258.347 -0.122 20 0 CBADLP NS(=O)(=O)CC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000749843892 582290380 /nfs/dbraw/zinc/29/03/80/582290380.db2.gz GQITZQRPCNPNOZ-SECBINFHSA-N 2 2 258.347 -0.122 20 0 CBADLP NS(=O)(=O)CC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000749843894 582290419 /nfs/dbraw/zinc/29/04/19/582290419.db2.gz GQITZQRPCNPNOZ-VIFPVBQESA-N 2 2 258.347 -0.122 20 0 CBADLP NS(=O)(=O)CC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000749843894 582290420 /nfs/dbraw/zinc/29/04/20/582290420.db2.gz GQITZQRPCNPNOZ-VIFPVBQESA-N 2 2 258.347 -0.122 20 0 CBADLP COC(=O)CN(CC[NH+]1CCCC1)CC[NH+]1CCOCC1 ZINC000760839594 582313653 /nfs/dbraw/zinc/31/36/53/582313653.db2.gz FLJISSWANXFOOY-UHFFFAOYSA-N 2 2 299.415 -0.111 20 0 CBADLP C[C@H]1CC(=O)NCC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000761058418 582314153 /nfs/dbraw/zinc/31/41/53/582314153.db2.gz XVZAHPACCKVILW-NWDGAFQWSA-N 2 2 255.362 -0.347 20 0 CBADLP C[C@H]1CC(=O)NCC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000761058418 582314154 /nfs/dbraw/zinc/31/41/54/582314154.db2.gz XVZAHPACCKVILW-NWDGAFQWSA-N 2 2 255.362 -0.347 20 0 CBADLP NC(=O)N[C@H]1CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000762927132 582318698 /nfs/dbraw/zinc/31/86/98/582318698.db2.gz YPROGZCOSUYGKK-QWRGUYRKSA-N 2 2 256.350 -0.814 20 0 CBADLP NC(=O)N[C@H]1CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000762927132 582318699 /nfs/dbraw/zinc/31/86/99/582318699.db2.gz YPROGZCOSUYGKK-QWRGUYRKSA-N 2 2 256.350 -0.814 20 0 CBADLP COC(=O)c1occc1C[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000776095557 582353797 /nfs/dbraw/zinc/35/37/97/582353797.db2.gz YJMPSGFGWKGVFD-UHFFFAOYSA-N 2 2 295.339 -0.070 20 0 CBADLP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)CCS(C)(=O)=O ZINC000779477684 582361343 /nfs/dbraw/zinc/36/13/43/582361343.db2.gz NLFJYSXVBWXIMA-UHFFFAOYSA-N 2 2 291.417 -0.873 20 0 CBADLP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)CCS(C)(=O)=O ZINC000779477684 582361344 /nfs/dbraw/zinc/36/13/44/582361344.db2.gz NLFJYSXVBWXIMA-UHFFFAOYSA-N 2 2 291.417 -0.873 20 0 CBADLP C[C@H](O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000786959889 582380158 /nfs/dbraw/zinc/38/01/58/582380158.db2.gz SBXDBWCFMIRMSU-WDEREUQCSA-N 2 2 255.362 -0.348 20 0 CBADLP C[C@H](O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000786959889 582380159 /nfs/dbraw/zinc/38/01/59/582380159.db2.gz SBXDBWCFMIRMSU-WDEREUQCSA-N 2 2 255.362 -0.348 20 0 CBADLP NC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2C2CC2)CC1 ZINC000787316549 582381470 /nfs/dbraw/zinc/38/14/70/582381470.db2.gz IIGZEFMMOKXCFX-ZDUSSCGKSA-N 2 2 294.399 -0.367 20 0 CBADLP NC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2C2CC2)CC1 ZINC000787316549 582381471 /nfs/dbraw/zinc/38/14/71/582381471.db2.gz IIGZEFMMOKXCFX-ZDUSSCGKSA-N 2 2 294.399 -0.367 20 0 CBADLP NC(=O)C[NH+]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000787316549 582381472 /nfs/dbraw/zinc/38/14/72/582381472.db2.gz IIGZEFMMOKXCFX-ZDUSSCGKSA-N 2 2 294.399 -0.367 20 0 CBADLP NC(=O)C[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CC2)CC1 ZINC000787316549 582381473 /nfs/dbraw/zinc/38/14/73/582381473.db2.gz IIGZEFMMOKXCFX-ZDUSSCGKSA-N 2 2 294.399 -0.367 20 0 CBADLP Cn1cc[nH+]c1N1CC[NH+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC000788021248 582383922 /nfs/dbraw/zinc/38/39/22/582383922.db2.gz MDJWYFDZYFXZCF-SNVBAGLBSA-N 2 2 277.328 -0.653 20 0 CBADLP COC(=O)[C@H]1[C@@H]2C[N@@H+](C[C@@H](O)C[NH+]3CCCC3)C[C@@H]21 ZINC000794970118 582407444 /nfs/dbraw/zinc/40/74/44/582407444.db2.gz VRQQDITXLFQNCE-WUHRBBMRSA-N 2 2 268.357 -0.206 20 0 CBADLP COC(=O)[C@H]1[C@@H]2C[N@H+](C[C@@H](O)C[NH+]3CCCC3)C[C@@H]21 ZINC000794970118 582407445 /nfs/dbraw/zinc/40/74/45/582407445.db2.gz VRQQDITXLFQNCE-WUHRBBMRSA-N 2 2 268.357 -0.206 20 0 CBADLP Cn1cc[nH+]c1N1CC[NH+](CC[S@](C)=O)CC1 ZINC000798194717 582414410 /nfs/dbraw/zinc/41/44/10/582414410.db2.gz ATYHDAIHKVZJIE-KRWDZBQOSA-N 2 2 256.375 -0.079 20 0 CBADLP C[C@@H]1CCNC(=O)[C@@H]1[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000799345954 582419612 /nfs/dbraw/zinc/41/96/12/582419612.db2.gz CEJJXMOOQYZDDH-GRYCIOLGSA-N 2 2 255.362 -0.443 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)OCC[NH+]2CCO[C@H](C)C2)C1 ZINC000805468191 582433227 /nfs/dbraw/zinc/43/32/27/582433227.db2.gz CTPJKMBDRALCEN-OLZOCXBDSA-N 2 2 286.372 -0.029 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)OCC[NH+]2CCO[C@H](C)C2)C1 ZINC000805468191 582433228 /nfs/dbraw/zinc/43/32/28/582433228.db2.gz CTPJKMBDRALCEN-OLZOCXBDSA-N 2 2 286.372 -0.029 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)OCC[N@@H+]2CCO[C@H](C)C2)C1 ZINC000805468191 582433229 /nfs/dbraw/zinc/43/32/29/582433229.db2.gz CTPJKMBDRALCEN-OLZOCXBDSA-N 2 2 286.372 -0.029 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)OCC[N@H+]2CCO[C@H](C)C2)C1 ZINC000805468191 582433230 /nfs/dbraw/zinc/43/32/30/582433230.db2.gz CTPJKMBDRALCEN-OLZOCXBDSA-N 2 2 286.372 -0.029 20 0 CBADLP C[NH+](C)C[C@@H](CO)NC(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000808170411 582441760 /nfs/dbraw/zinc/44/17/60/582441760.db2.gz OVQWDGDLZOVGRK-LBPRGKRZSA-N 2 2 289.339 -0.080 20 0 CBADLP C[C@H](NC(=O)NCc1c[nH+]cn1C)[C@H]1C[N@H+](C)CCO1 ZINC000811896051 582451493 /nfs/dbraw/zinc/45/14/93/582451493.db2.gz HJBBRGUIAOBBRD-CMPLNLGQSA-N 2 2 281.360 -0.062 20 0 CBADLP C[C@H](NC(=O)NCc1c[nH+]cn1C)[C@H]1C[N@@H+](C)CCO1 ZINC000811896051 582451494 /nfs/dbraw/zinc/45/14/94/582451494.db2.gz HJBBRGUIAOBBRD-CMPLNLGQSA-N 2 2 281.360 -0.062 20 0 CBADLP C[C@@H]([NH2+]CCS(=O)(=O)N1CCOCC1)[C@@H]1CCC[NH2+]1 ZINC000817908678 582496381 /nfs/dbraw/zinc/49/63/81/582496381.db2.gz HMQNOQSZWKTWOW-NEPJUHHUSA-N 2 2 291.417 -0.622 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[C@]3(CCC[NH2+]3)C2)CC1 ZINC000817912765 582496420 /nfs/dbraw/zinc/49/64/20/582496420.db2.gz IBHVTDPWBXHPIU-OAHLLOKOSA-N 2 2 294.399 -0.495 20 0 CBADLP CON(C)C(=O)CC[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000819048905 582525276 /nfs/dbraw/zinc/52/52/76/582525276.db2.gz DDOOTQZVEMLCML-NSHDSACASA-N 2 2 258.366 -0.768 20 0 CBADLP CON(C)C(=O)CC[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000819048905 582525278 /nfs/dbraw/zinc/52/52/78/582525278.db2.gz DDOOTQZVEMLCML-NSHDSACASA-N 2 2 258.366 -0.768 20 0 CBADLP CN(C)c1[nH+]cc(C[NH2+]C[C@H]2CC(C(N)=O)=NO2)n1C ZINC000821229942 582596164 /nfs/dbraw/zinc/59/61/64/582596164.db2.gz LUBLQFVWDYGBSJ-SECBINFHSA-N 2 2 280.332 -0.794 20 0 CBADLP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[N@@H+]1CCO ZINC000822156233 582628378 /nfs/dbraw/zinc/62/83/78/582628378.db2.gz XKMPCWPDFPAYPH-GFCCVEGCSA-N 2 2 255.362 -0.393 20 0 CBADLP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[N@H+]1CCO ZINC000822156233 582628380 /nfs/dbraw/zinc/62/83/80/582628380.db2.gz XKMPCWPDFPAYPH-GFCCVEGCSA-N 2 2 255.362 -0.393 20 0 CBADLP Cn1ccc(=O)c(C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000824958401 582716831 /nfs/dbraw/zinc/71/68/31/582716831.db2.gz XOCFVEUZSJKWKN-UHFFFAOYSA-N 2 2 294.399 -0.001 20 0 CBADLP Cn1ccc(=O)c(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000824958401 582716836 /nfs/dbraw/zinc/71/68/36/582716836.db2.gz XOCFVEUZSJKWKN-UHFFFAOYSA-N 2 2 294.399 -0.001 20 0 CBADLP c1cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc(-c2nn[nH]n2)n1 ZINC000826515939 582779413 /nfs/dbraw/zinc/77/94/13/582779413.db2.gz QIGQSNJGFGSHHN-QWRGUYRKSA-N 2 2 271.328 -0.087 20 0 CBADLP c1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc(-c2nn[nH]n2)n1 ZINC000826515938 582779439 /nfs/dbraw/zinc/77/94/39/582779439.db2.gz QIGQSNJGFGSHHN-PHIMTYICSA-N 2 2 271.328 -0.087 20 0 CBADLP c1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc(-c2nn[nH]n2)n1 ZINC000826515938 582779443 /nfs/dbraw/zinc/77/94/43/582779443.db2.gz QIGQSNJGFGSHHN-PHIMTYICSA-N 2 2 271.328 -0.087 20 0 CBADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C)[C@H](CO)C1 ZINC000827983143 582838055 /nfs/dbraw/zinc/83/80/55/582838055.db2.gz IIMSVMMAFAJNKI-STQMWFEESA-N 2 2 269.389 -0.006 20 0 CBADLP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C)[C@H](CO)C1 ZINC000827983143 582838057 /nfs/dbraw/zinc/83/80/57/582838057.db2.gz IIMSVMMAFAJNKI-STQMWFEESA-N 2 2 269.389 -0.006 20 0 CBADLP CC(C)[NH+]1CCC[C@H]1C(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000827983143 582838061 /nfs/dbraw/zinc/83/80/61/582838061.db2.gz IIMSVMMAFAJNKI-STQMWFEESA-N 2 2 269.389 -0.006 20 0 CBADLP CC(C)[NH+]1CCC[C@H]1C(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000827983143 582838064 /nfs/dbraw/zinc/83/80/64/582838064.db2.gz IIMSVMMAFAJNKI-STQMWFEESA-N 2 2 269.389 -0.006 20 0 CBADLP Cn1c[nH+]c(/C=C/C(=O)N2CC[N@H+](C)[C@H](CO)C2)c1 ZINC000827983594 582838185 /nfs/dbraw/zinc/83/81/85/582838185.db2.gz ODSAXTFFMDPYFA-PCAWENJQSA-N 2 2 264.329 -0.432 20 0 CBADLP Cn1c[nH+]c(/C=C/C(=O)N2CC[N@@H+](C)[C@H](CO)C2)c1 ZINC000827983594 582838187 /nfs/dbraw/zinc/83/81/87/582838187.db2.gz ODSAXTFFMDPYFA-PCAWENJQSA-N 2 2 264.329 -0.432 20 0 CBADLP Cn1cc[nH+]c1CN1CCN(C(=O)[C@@]2(F)CC[NH2+]C2)CC1 ZINC000828832251 582874428 /nfs/dbraw/zinc/87/44/28/582874428.db2.gz LTMRKNVISAICIF-CQSZACIVSA-N 2 2 295.362 -0.234 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000830035810 582916906 /nfs/dbraw/zinc/91/69/06/582916906.db2.gz RVETWJGPHRBGOX-NSHDSACASA-N 2 2 264.329 -0.115 20 0 CBADLP COC(=O)[C@@H]1C[C@H](O)C[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000830896312 582943655 /nfs/dbraw/zinc/94/36/55/582943655.db2.gz IAALKXSPFNEZCM-FRRDWIJNSA-N 2 2 286.372 -0.701 20 0 CBADLP COC(=O)[C@@H]1C[C@H](O)C[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000830896312 582943658 /nfs/dbraw/zinc/94/36/58/582943658.db2.gz IAALKXSPFNEZCM-FRRDWIJNSA-N 2 2 286.372 -0.701 20 0 CBADLP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC000831539949 582985376 /nfs/dbraw/zinc/98/53/76/582985376.db2.gz BTUWFXDYWFLCJC-DTWKUNHWSA-N 2 2 263.345 -0.122 20 0 CBADLP CCO[C@H](CNC(=O)/C=C/C[NH+]1CCOCC1)C[NH+](C)C ZINC000831718363 582998162 /nfs/dbraw/zinc/99/81/62/582998162.db2.gz KZNGDUKZPXGYRK-VBROQKIQSA-N 2 2 299.415 -0.042 20 0 CBADLP C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[N@@H+]1CCO ZINC000832547626 583029230 /nfs/dbraw/zinc/02/92/30/583029230.db2.gz JNUMJLZVGSDBSP-JTQLQIEISA-N 2 2 252.318 -0.523 20 0 CBADLP C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[N@H+]1CCO ZINC000832547626 583029233 /nfs/dbraw/zinc/02/92/33/583029233.db2.gz JNUMJLZVGSDBSP-JTQLQIEISA-N 2 2 252.318 -0.523 20 0 CBADLP C[C@@H](CNC(=S)NCC[NH+]1CCOCC1)[NH+](C)C ZINC000840810338 583168007 /nfs/dbraw/zinc/16/80/07/583168007.db2.gz RRCXFXTYHCNRLH-NSHDSACASA-N 2 2 274.434 -0.267 20 0 CBADLP C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)CC[NH+]1CCOCC1 ZINC000841454101 583170898 /nfs/dbraw/zinc/17/08/98/583170898.db2.gz KWVZZPCJKKXJLR-UONOGXRCSA-N 2 2 299.415 -0.378 20 0 CBADLP C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)CC[NH+]1CCOCC1 ZINC000841454101 583170900 /nfs/dbraw/zinc/17/09/00/583170900.db2.gz KWVZZPCJKKXJLR-UONOGXRCSA-N 2 2 299.415 -0.378 20 0 CBADLP O=C(NC[C@H]1C[NH2+]CCO1)c1ccc(-n2cc[nH+]c2)nc1 ZINC000842509882 583184700 /nfs/dbraw/zinc/18/47/00/583184700.db2.gz KJLATARKWVVUEQ-GFCCVEGCSA-N 2 2 287.323 -0.015 20 0 CBADLP CCN(OC)C(=O)C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000842769124 583192711 /nfs/dbraw/zinc/19/27/11/583192711.db2.gz JFBYPWHRGJFVCZ-UHFFFAOYSA-N 2 2 269.349 -0.014 20 0 CBADLP O=S(=O)(C1C[NH+](CC2CC2)C1)N1CC[NH2+]CC1 ZINC000843054851 583198681 /nfs/dbraw/zinc/19/86/81/583198681.db2.gz KQSPLKYAPYHLBS-UHFFFAOYSA-N 2 2 259.375 -0.684 20 0 CBADLP CON(C)C(=O)CC[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000843095186 583201168 /nfs/dbraw/zinc/20/11/68/583201168.db2.gz NPLKRKLMUQTAKB-LBPRGKRZSA-N 2 2 273.377 -0.167 20 0 CBADLP CON(C)C(=O)CC[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000843095186 583201169 /nfs/dbraw/zinc/20/11/69/583201169.db2.gz NPLKRKLMUQTAKB-LBPRGKRZSA-N 2 2 273.377 -0.167 20 0 CBADLP C[NH2+]C[C@H]1CC[N@H+](CCCS(=O)(=O)CCOC)C1 ZINC000843349418 583211600 /nfs/dbraw/zinc/21/16/00/583211600.db2.gz YWHMUEPJIQTJKG-GFCCVEGCSA-N 2 2 278.418 -0.021 20 0 CBADLP C[NH2+]C[C@H]1CC[N@@H+](CCCS(=O)(=O)CCOC)C1 ZINC000843349418 583211602 /nfs/dbraw/zinc/21/16/02/583211602.db2.gz YWHMUEPJIQTJKG-GFCCVEGCSA-N 2 2 278.418 -0.021 20 0 CBADLP CCOC(=O)C1=C(C[N@H+](C)CCC[NH3+])NC(=O)N[C@H]1C ZINC000843350989 583211695 /nfs/dbraw/zinc/21/16/95/583211695.db2.gz DEHJKNWTTFZBIM-VIFPVBQESA-N 2 2 284.360 -0.215 20 0 CBADLP CCOC(=O)C1=C(C[N@@H+](C)CCC[NH3+])NC(=O)N[C@H]1C ZINC000843350989 583211697 /nfs/dbraw/zinc/21/16/97/583211697.db2.gz DEHJKNWTTFZBIM-VIFPVBQESA-N 2 2 284.360 -0.215 20 0 CBADLP C[C@H]1CN(C(=O)C[NH2+][C@](C)(C[NH3+])C2CC2)CCO1 ZINC000843356641 583211965 /nfs/dbraw/zinc/21/19/65/583211965.db2.gz ZDORPTDMGHWBOQ-GXFFZTMASA-N 2 2 255.362 -0.049 20 0 CBADLP O=C1OCCN1CC[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000843369063 583213032 /nfs/dbraw/zinc/21/30/32/583213032.db2.gz CIJVEGPXSOLZIA-GFCCVEGCSA-N 2 2 296.371 -0.665 20 0 CBADLP O=C1OCCN1CC[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000843369063 583213034 /nfs/dbraw/zinc/21/30/34/583213034.db2.gz CIJVEGPXSOLZIA-GFCCVEGCSA-N 2 2 296.371 -0.665 20 0 CBADLP O=C1OCCN1CC[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000843369070 583213093 /nfs/dbraw/zinc/21/30/93/583213093.db2.gz CIJVEGPXSOLZIA-LBPRGKRZSA-N 2 2 296.371 -0.665 20 0 CBADLP O=C1OCCN1CC[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000843369070 583213095 /nfs/dbraw/zinc/21/30/95/583213095.db2.gz CIJVEGPXSOLZIA-LBPRGKRZSA-N 2 2 296.371 -0.665 20 0 CBADLP CC[NH2+]CC(=O)N1CC[NH+]([C@H](C)CC(=O)OC)CC1 ZINC000843491297 583228335 /nfs/dbraw/zinc/22/83/35/583228335.db2.gz PTXSZDPIKDKSMX-LLVKDONJSA-N 2 2 271.361 -0.308 20 0 CBADLP CC[NH2+]CC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000844190361 583259860 /nfs/dbraw/zinc/25/98/60/583259860.db2.gz KRVQRZRGKBQNDU-UHFFFAOYSA-N 2 2 265.361 -0.326 20 0 CBADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000844191536 583260005 /nfs/dbraw/zinc/26/00/05/583260005.db2.gz WVSCXUIRGLOELE-KGLIPLIRSA-N 2 2 298.431 -0.493 20 0 CBADLP C[NH+](C)CCN1CC[N@H+](CCCN2CCOC2=O)CC1=O ZINC000844375305 583269005 /nfs/dbraw/zinc/26/90/05/583269005.db2.gz DDNBPRAIDKEOGF-UHFFFAOYSA-N 2 2 298.387 -0.466 20 0 CBADLP C[NH+](C)CCN1CC[N@@H+](CCCN2CCOC2=O)CC1=O ZINC000844375305 583269009 /nfs/dbraw/zinc/26/90/09/583269009.db2.gz DDNBPRAIDKEOGF-UHFFFAOYSA-N 2 2 298.387 -0.466 20 0 CBADLP COC(=O)C[C@@H]1C(=O)NCC[N@H+]1CCCCCC[NH3+] ZINC000846221358 583355927 /nfs/dbraw/zinc/35/59/27/583355927.db2.gz XQMDVQLEBMGRGH-LLVKDONJSA-N 2 2 271.361 -0.131 20 0 CBADLP COC(=O)C[C@@H]1C(=O)NCC[N@@H+]1CCCCCC[NH3+] ZINC000846221358 583355930 /nfs/dbraw/zinc/35/59/30/583355930.db2.gz XQMDVQLEBMGRGH-LLVKDONJSA-N 2 2 271.361 -0.131 20 0 CBADLP CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)[C@@H]1CCCCNC1=O ZINC000846668935 583381699 /nfs/dbraw/zinc/38/16/99/583381699.db2.gz CRQBBZJMYPDWCO-GHMZBOCLSA-N 2 2 270.377 -0.608 20 0 CBADLP COC(=O)N1CCC[C@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000846670996 583381755 /nfs/dbraw/zinc/38/17/55/583381755.db2.gz WNUMHCGJPFCUDZ-QWRGUYRKSA-N 2 2 286.376 -0.388 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCCCNc1ncccn1 ZINC000846673499 583382106 /nfs/dbraw/zinc/38/21/06/583382106.db2.gz UVOYLAXKMVMIGE-LLVKDONJSA-N 2 2 280.376 -0.326 20 0 CBADLP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CC(=O)N(CCCO)C2=O)C1 ZINC000846701399 583384636 /nfs/dbraw/zinc/38/46/36/583384636.db2.gz FQGXWTPZJKCWSO-VXGBXAGGSA-N 2 2 283.372 -0.572 20 0 CBADLP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC(=O)N(CCCO)C2=O)C1 ZINC000846701399 583384639 /nfs/dbraw/zinc/38/46/39/583384639.db2.gz FQGXWTPZJKCWSO-VXGBXAGGSA-N 2 2 283.372 -0.572 20 0 CBADLP C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CC(=O)N(CCCO)C2=O)C1 ZINC000846701398 583384664 /nfs/dbraw/zinc/38/46/64/583384664.db2.gz FQGXWTPZJKCWSO-RYUDHWBXSA-N 2 2 283.372 -0.572 20 0 CBADLP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CC(=O)N(CCCO)C2=O)C1 ZINC000846701398 583384667 /nfs/dbraw/zinc/38/46/67/583384667.db2.gz FQGXWTPZJKCWSO-RYUDHWBXSA-N 2 2 283.372 -0.572 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(OC(C)=O)CC1 ZINC000846835300 583388796 /nfs/dbraw/zinc/38/87/96/583388796.db2.gz WYPMMSFIQNKILW-ZDUSSCGKSA-N 2 2 288.388 -0.047 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC(OC(C)=O)CC1 ZINC000846835300 583388799 /nfs/dbraw/zinc/38/87/99/583388799.db2.gz WYPMMSFIQNKILW-ZDUSSCGKSA-N 2 2 288.388 -0.047 20 0 CBADLP CN1C[C@@H]([N@H+](C)C[C@@H](O)C[NH+]2CCCC2)CCC1=O ZINC000846920706 583392755 /nfs/dbraw/zinc/39/27/55/583392755.db2.gz JKWRAXJTXNDBPW-QWHCGFSZSA-N 2 2 269.389 -0.004 20 0 CBADLP CN1C[C@@H]([N@@H+](C)C[C@@H](O)C[NH+]2CCCC2)CCC1=O ZINC000846920706 583392758 /nfs/dbraw/zinc/39/27/58/583392758.db2.gz JKWRAXJTXNDBPW-QWHCGFSZSA-N 2 2 269.389 -0.004 20 0 CBADLP CON1CC[NH+](C/C=C/C[NH+]2CCN(OC)CC2)CC1 ZINC000846976360 583394446 /nfs/dbraw/zinc/39/44/46/583394446.db2.gz LDZDESLMYGBAOR-ONEGZZNKSA-N 2 2 284.404 -0.099 20 0 CBADLP C[NH+](C)C1(C(=O)N[C@@H](CO)C[NH+]2CCOCC2)CCC1 ZINC000847139359 583399052 /nfs/dbraw/zinc/39/90/52/583399052.db2.gz JGQOZBYSPQSSCX-GFCCVEGCSA-N 2 2 285.388 -0.720 20 0 CBADLP COC[C@H](C)NC(=[NH2+])NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000849037338 583470638 /nfs/dbraw/zinc/47/06/38/583470638.db2.gz AXHHCRUOWJZMNM-SDDRHHMPSA-N 2 2 270.377 -0.002 20 0 CBADLP COC[C@H](C)NC(=[NH2+])NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000849037338 583470641 /nfs/dbraw/zinc/47/06/41/583470641.db2.gz AXHHCRUOWJZMNM-SDDRHHMPSA-N 2 2 270.377 -0.002 20 0 CBADLP C[C@@H](C[NH3+])NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000851664325 583519196 /nfs/dbraw/zinc/51/91/96/583519196.db2.gz XABZGHUFWPWJRO-QWRGUYRKSA-N 2 2 256.350 -0.550 20 0 CBADLP O=C(C[NH+]1CCCC1)N1CC[NH+](C[C@H]2CCC(=O)O2)CC1 ZINC000851750958 583524797 /nfs/dbraw/zinc/52/47/97/583524797.db2.gz MRRXVNGPEFZVAS-CYBMUJFWSA-N 2 2 295.383 -0.068 20 0 CBADLP [NH3+]CCN(Cc1ccc(-n2cc[nH+]c2)nc1)C[C@@H](O)CO ZINC000852753970 583551952 /nfs/dbraw/zinc/55/19/52/583551952.db2.gz WLUQDNSNHDQMKI-CYBMUJFWSA-N 2 2 291.355 -0.619 20 0 CBADLP O=C1OCCN1[C@@H]1CC[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000852755187 583551966 /nfs/dbraw/zinc/55/19/66/583551966.db2.gz GRSANFXYLQRNDR-GHMZBOCLSA-N 2 2 255.318 -0.499 20 0 CBADLP O=C1OCCN1[C@@H]1CC[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000852755187 583551968 /nfs/dbraw/zinc/55/19/68/583551968.db2.gz GRSANFXYLQRNDR-GHMZBOCLSA-N 2 2 255.318 -0.499 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@]2(F)CC[NH2+]C2)[C@@H](C)CO1 ZINC000852847532 583560264 /nfs/dbraw/zinc/56/02/64/583560264.db2.gz SWEBJBBYQUKUTD-DMDPSCGWSA-N 2 2 273.352 -0.087 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@]2(F)CC[NH2+]C2)[C@@H](C)CO1 ZINC000852847532 583560266 /nfs/dbraw/zinc/56/02/66/583560266.db2.gz SWEBJBBYQUKUTD-DMDPSCGWSA-N 2 2 273.352 -0.087 20 0 CBADLP O=C(N1CC[NH+]([C@H]2CCOC2)CC1)[C@@]1(F)CC[NH2+]C1 ZINC000852853580 583561252 /nfs/dbraw/zinc/56/12/52/583561252.db2.gz JWCFOLJOZKRFLO-WCQYABFASA-N 2 2 271.336 -0.379 20 0 CBADLP CC1(C)COCC[N@@H+]1CCNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852865992 583564278 /nfs/dbraw/zinc/56/42/78/583564278.db2.gz QTHZTBHOGFFESE-JTQLQIEISA-N 2 2 284.360 -0.683 20 0 CBADLP CC1(C)COCC[N@H+]1CCNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852865992 583564280 /nfs/dbraw/zinc/56/42/80/583564280.db2.gz QTHZTBHOGFFESE-JTQLQIEISA-N 2 2 284.360 -0.683 20 0 CBADLP C[N@H+](CC(F)F)C1CCN(C(=O)C2(O)C[NH2+]C2)CC1 ZINC000852869297 583564721 /nfs/dbraw/zinc/56/47/21/583564721.db2.gz BPFBLZILHPYFQZ-UHFFFAOYSA-N 2 2 277.315 -0.491 20 0 CBADLP C[N@@H+](CC(F)F)C1CCN(C(=O)C2(O)C[NH2+]C2)CC1 ZINC000852869297 583564724 /nfs/dbraw/zinc/56/47/24/583564724.db2.gz BPFBLZILHPYFQZ-UHFFFAOYSA-N 2 2 277.315 -0.491 20 0 CBADLP CN(Cc1[nH+]ccn1C)C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852883571 583567719 /nfs/dbraw/zinc/56/77/19/583567719.db2.gz ZRGQYWXZRBXWAI-QMMMGPOBSA-N 2 2 251.290 -0.518 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)CO[C@@H]2CCC[NH2+]C2)[C@@H](C)CO1 ZINC000852902554 583572609 /nfs/dbraw/zinc/57/26/09/583572609.db2.gz IBQZNZUSSIZCMZ-BFHYXJOUSA-N 2 2 299.415 -0.020 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)CO[C@@H]2CCC[NH2+]C2)[C@@H](C)CO1 ZINC000852902554 583572610 /nfs/dbraw/zinc/57/26/10/583572610.db2.gz IBQZNZUSSIZCMZ-BFHYXJOUSA-N 2 2 299.415 -0.020 20 0 CBADLP Cn1nncc1CNC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000854064068 583594563 /nfs/dbraw/zinc/59/45/63/583594563.db2.gz AXRQRMWXVCLDFL-UHFFFAOYSA-N 2 2 297.407 -0.502 20 0 CBADLP Cn1nncc1CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000854064068 583594565 /nfs/dbraw/zinc/59/45/65/583594565.db2.gz AXRQRMWXVCLDFL-UHFFFAOYSA-N 2 2 297.407 -0.502 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000854413836 583602416 /nfs/dbraw/zinc/60/24/16/583602416.db2.gz TYWFGVPQYOQZOZ-LLVKDONJSA-N 2 2 266.345 -0.085 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000854742244 583618080 /nfs/dbraw/zinc/61/80/80/583618080.db2.gz BVCZUTXMPCRYBB-LLVKDONJSA-N 2 2 266.345 -0.085 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000854742244 583618081 /nfs/dbraw/zinc/61/80/81/583618081.db2.gz BVCZUTXMPCRYBB-LLVKDONJSA-N 2 2 266.345 -0.085 20 0 CBADLP COCC(COC)[NH+]1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000854930820 583628526 /nfs/dbraw/zinc/62/85/26/583628526.db2.gz NNEHNAPQTZZQBW-UHFFFAOYSA-N 2 2 296.371 -0.242 20 0 CBADLP Cn1cc([C@H](O)C(=O)NCC[N@H+](C)CCC[NH+](C)C)cn1 ZINC000855414966 583638748 /nfs/dbraw/zinc/63/87/48/583638748.db2.gz OARYHWWZCPHRSL-ZDUSSCGKSA-N 2 2 297.403 -0.547 20 0 CBADLP Cn1cc([C@H](O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cn1 ZINC000855414966 583638750 /nfs/dbraw/zinc/63/87/50/583638750.db2.gz OARYHWWZCPHRSL-ZDUSSCGKSA-N 2 2 297.403 -0.547 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cccc[n+]1[O-] ZINC000855416371 583638939 /nfs/dbraw/zinc/63/89/39/583638939.db2.gz NBYIOEZKBQCIGB-UHFFFAOYSA-N 2 2 280.372 -0.067 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cccc[n+]1[O-] ZINC000855416371 583638940 /nfs/dbraw/zinc/63/89/40/583638940.db2.gz NBYIOEZKBQCIGB-UHFFFAOYSA-N 2 2 280.372 -0.067 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C1=COCCO1 ZINC000855415934 583639063 /nfs/dbraw/zinc/63/90/63/583639063.db2.gz BYLKSCWHPBIJFZ-UHFFFAOYSA-N 2 2 271.361 -0.126 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C1=COCCO1 ZINC000855415934 583639065 /nfs/dbraw/zinc/63/90/65/583639065.db2.gz BYLKSCWHPBIJFZ-UHFFFAOYSA-N 2 2 271.361 -0.126 20 0 CBADLP C[C@@H]1OC(=O)N[C@H]1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000855415561 583639176 /nfs/dbraw/zinc/63/91/76/583639176.db2.gz ZIGDKMPIHAZBCI-WDEREUQCSA-N 2 2 286.376 -0.517 20 0 CBADLP C[C@@H]1OC(=O)N[C@H]1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000855415561 583639177 /nfs/dbraw/zinc/63/91/77/583639177.db2.gz ZIGDKMPIHAZBCI-WDEREUQCSA-N 2 2 286.376 -0.517 20 0 CBADLP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)Cc1[nH]cc[nH+]1 ZINC000855697458 583647722 /nfs/dbraw/zinc/64/77/22/583647722.db2.gz ARMPIMCIYSUWRJ-UHFFFAOYSA-N 2 2 281.360 -0.569 20 0 CBADLP C[C@H]([NH3+])CCNC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000857101869 583664303 /nfs/dbraw/zinc/66/43/03/583664303.db2.gz MVPPFLJEMIGOJS-QWRGUYRKSA-N 2 2 258.366 -0.256 20 0 CBADLP C[C@H]([NH3+])CCNC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000857102976 583664839 /nfs/dbraw/zinc/66/48/39/583664839.db2.gz XXIYRDNMYSTJOA-WDEREUQCSA-N 2 2 257.382 -0.731 20 0 CBADLP C[C@H]([NH3+])CCNC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000857102976 583664841 /nfs/dbraw/zinc/66/48/41/583664841.db2.gz XXIYRDNMYSTJOA-WDEREUQCSA-N 2 2 257.382 -0.731 20 0 CBADLP C[C@H]([NH3+])CCNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000857107084 583664997 /nfs/dbraw/zinc/66/49/97/583664997.db2.gz KQNKJEJOPCVFKD-RYUDHWBXSA-N 2 2 270.377 -0.160 20 0 CBADLP O=C(N[C@@H]1CCn2c[nH+]cc21)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000857981240 583686045 /nfs/dbraw/zinc/68/60/45/583686045.db2.gz YCBZFDQBCBDXLN-YPMHNXCESA-N 2 2 275.356 -0.166 20 0 CBADLP O=C(N[C@@H]1CCn2c[nH+]cc21)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000857981240 583686046 /nfs/dbraw/zinc/68/60/46/583686046.db2.gz YCBZFDQBCBDXLN-YPMHNXCESA-N 2 2 275.356 -0.166 20 0 CBADLP CON(C)C(=O)[C@@H](C)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000858323372 583691562 /nfs/dbraw/zinc/69/15/62/583691562.db2.gz VJFIEPUDGUBHQN-SECBINFHSA-N 2 2 269.349 -0.016 20 0 CBADLP NC(=O)C[NH+]1CCN(c2cc[nH+]c(CO)c2)CC1 ZINC000858329771 583691565 /nfs/dbraw/zinc/69/15/65/583691565.db2.gz OGQRZCRZUWBBBZ-UHFFFAOYSA-N 2 2 250.302 -0.819 20 0 CBADLP Nc1nc(N)[nH+]c(NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)n1 ZINC000858374636 583693394 /nfs/dbraw/zinc/69/33/94/583693394.db2.gz RFFWTAAPDJWTTI-JGVFFNPUSA-N 2 2 265.321 -0.689 20 0 CBADLP Nc1nc(N)[nH+]c(NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)n1 ZINC000858374636 583693396 /nfs/dbraw/zinc/69/33/96/583693396.db2.gz RFFWTAAPDJWTTI-JGVFFNPUSA-N 2 2 265.321 -0.689 20 0 CBADLP C[C@@H]1C[NH+]=C(N2CCN(c3nc(N)[nH+]c(N)n3)CC2)S1 ZINC000858424719 583694608 /nfs/dbraw/zinc/69/46/08/583694608.db2.gz YHYVTAROCRZHRP-SSDOTTSWSA-N 2 2 294.388 -0.351 20 0 CBADLP COCC[N@H+]1[C@H](C)CN(c2nc(N)[nH+]c(N)n2)C[C@@H]1C ZINC000858600365 583698977 /nfs/dbraw/zinc/69/89/77/583698977.db2.gz QXEMCXDFUFSXIY-DTORHVGOSA-N 2 2 281.364 -0.419 20 0 CBADLP COCC[N@@H+]1[C@H](C)CN(c2nc(N)[nH+]c(N)n2)C[C@@H]1C ZINC000858600365 583698979 /nfs/dbraw/zinc/69/89/79/583698979.db2.gz QXEMCXDFUFSXIY-DTORHVGOSA-N 2 2 281.364 -0.419 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3COC(=O)N3)C2)CC1 ZINC000859337324 583714979 /nfs/dbraw/zinc/71/49/79/583714979.db2.gz JJRWLYRWBZKGKL-JQWIXIFHSA-N 2 2 296.371 -0.621 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3COC(=O)N3)C2)CC1 ZINC000859337324 583714981 /nfs/dbraw/zinc/71/49/81/583714981.db2.gz JJRWLYRWBZKGKL-JQWIXIFHSA-N 2 2 296.371 -0.621 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2C[C@@H]3COC(=O)[C@@H]3C2)CC1 ZINC000860158528 583739650 /nfs/dbraw/zinc/73/96/50/583739650.db2.gz ONLWKJRZYLYBGY-YNEHKIRRSA-N 2 2 295.383 -0.356 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2C[C@@H]3COC(=O)[C@@H]3C2)CC1 ZINC000860158528 583739652 /nfs/dbraw/zinc/73/96/52/583739652.db2.gz ONLWKJRZYLYBGY-YNEHKIRRSA-N 2 2 295.383 -0.356 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000861646527 583775310 /nfs/dbraw/zinc/77/53/10/583775310.db2.gz RNRQWQQUSNOORY-ZJUUUORDSA-N 2 2 292.330 -0.387 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000861646527 583775311 /nfs/dbraw/zinc/77/53/11/583775311.db2.gz RNRQWQQUSNOORY-ZJUUUORDSA-N 2 2 292.330 -0.387 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000861680545 583777398 /nfs/dbraw/zinc/77/73/98/583777398.db2.gz FEWOCNNNJIMZQY-WOPDTQHZSA-N 2 2 268.361 -0.680 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000861680545 583777401 /nfs/dbraw/zinc/77/74/01/583777401.db2.gz FEWOCNNNJIMZQY-WOPDTQHZSA-N 2 2 268.361 -0.680 20 0 CBADLP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000861756313 583784534 /nfs/dbraw/zinc/78/45/34/583784534.db2.gz XCFMMWQEZOYDGT-SNVBAGLBSA-N 2 2 293.371 -0.431 20 0 CBADLP C[NH+](C)CCNC(=S)NC[C@H]1COCC[N@@H+]1C ZINC000863226354 583834904 /nfs/dbraw/zinc/83/49/04/583834904.db2.gz BMKIYWUNDBOGFC-JTQLQIEISA-N 2 2 260.407 -0.657 20 0 CBADLP C[NH+](C)CCNC(=S)NC[C@H]1COCC[N@H+]1C ZINC000863226354 583834905 /nfs/dbraw/zinc/83/49/05/583834905.db2.gz BMKIYWUNDBOGFC-JTQLQIEISA-N 2 2 260.407 -0.657 20 0 CBADLP COC(=O)N1CC([NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000863552269 583846347 /nfs/dbraw/zinc/84/63/47/583846347.db2.gz QNYXNGLTFKMLMQ-NSHDSACASA-N 2 2 257.334 -0.517 20 0 CBADLP CON(C)C(=O)[C@H](C)[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000863548724 583846468 /nfs/dbraw/zinc/84/64/68/583846468.db2.gz SBQOFVFORRVRQF-VWYCJHECSA-N 2 2 259.350 -0.249 20 0 CBADLP C[C@H]([NH3+])CN(C)C(=O)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000863764389 583854707 /nfs/dbraw/zinc/85/47/07/583854707.db2.gz CIGWOBXNXFVEPN-NSHDSACASA-N 2 2 281.360 -0.463 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N1C2CCC1(C[NH3+])CC2 ZINC000864058390 583866601 /nfs/dbraw/zinc/86/66/01/583866601.db2.gz UIQQWFVAWHLWPL-LXVYMNJGSA-N 2 2 282.388 -0.018 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N1C2CCC1(C[NH3+])CC2 ZINC000864058390 583866603 /nfs/dbraw/zinc/86/66/03/583866603.db2.gz UIQQWFVAWHLWPL-LXVYMNJGSA-N 2 2 282.388 -0.018 20 0 CBADLP C[C@@H]1CN(C(=O)[C@H](O)c2c[nH+]c[nH]2)[C@@H](C)C[N@@H+]1C ZINC000864056589 583866631 /nfs/dbraw/zinc/86/66/31/583866631.db2.gz FZBDJYNNDLYICC-WCABBAIRSA-N 2 2 252.318 -0.006 20 0 CBADLP C[C@@H]1CN(C(=O)[C@H](O)c2c[nH+]c[nH]2)[C@@H](C)C[N@H+]1C ZINC000864056589 583866633 /nfs/dbraw/zinc/86/66/33/583866633.db2.gz FZBDJYNNDLYICC-WCABBAIRSA-N 2 2 252.318 -0.006 20 0 CBADLP C[N@@H+]1CCN(C(=O)C2C[NH+](C3CCOCC3)C2)C[C@@H]1CO ZINC000864077307 583871429 /nfs/dbraw/zinc/87/14/29/583871429.db2.gz DTINZLDYYSKKTR-CQSZACIVSA-N 2 2 297.399 -0.768 20 0 CBADLP C[N@H+]1CCN(C(=O)C2C[NH+](C3CCOCC3)C2)C[C@@H]1CO ZINC000864077307 583871430 /nfs/dbraw/zinc/87/14/30/583871430.db2.gz DTINZLDYYSKKTR-CQSZACIVSA-N 2 2 297.399 -0.768 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000864080526 583872431 /nfs/dbraw/zinc/87/24/31/583872431.db2.gz HCBOXLHZQXUDOC-CHWSQXEVSA-N 2 2 283.372 -0.846 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000864080526 583872433 /nfs/dbraw/zinc/87/24/33/583872433.db2.gz HCBOXLHZQXUDOC-CHWSQXEVSA-N 2 2 283.372 -0.846 20 0 CBADLP C[NH+](C)CCCNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000864416434 583881513 /nfs/dbraw/zinc/88/15/13/583881513.db2.gz VGWDEIWOKMFKHE-HWKANZROSA-N 2 2 255.362 -0.057 20 0 CBADLP O=C(/C=C\C[NH+]1CCOCC1)NCCn1cc[nH+]c1 ZINC000864867703 583891033 /nfs/dbraw/zinc/89/10/33/583891033.db2.gz NTWZABPHVXQWBN-UPHRSURJSA-N 2 2 264.329 -0.112 20 0 CBADLP C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000865124419 583897573 /nfs/dbraw/zinc/89/75/73/583897573.db2.gz ARGVOQYQELJMJP-GXSJLCMTSA-N 2 2 252.318 -0.004 20 0 CBADLP C[NH+](C)[C@@H]1CCCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)C1 ZINC000865130588 583897869 /nfs/dbraw/zinc/89/78/69/583897869.db2.gz OOMDOHBAGUYSTB-MWLCHTKSSA-N 2 2 252.318 -0.004 20 0 CBADLP O=C(NCC[NH+]1CCOCC1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000865344302 583903824 /nfs/dbraw/zinc/90/38/24/583903824.db2.gz DSTVSLMCVLQCQI-OLZOCXBDSA-N 2 2 282.388 -0.146 20 0 CBADLP COCC[N@@H+]1CC[C@@H](NC(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000865583780 583905937 /nfs/dbraw/zinc/90/59/37/583905937.db2.gz VWLFRCPYGFPNOH-BAABZTOOSA-N 2 2 297.399 -0.288 20 0 CBADLP COCC[N@H+]1CC[C@@H](NC(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000865583780 583905938 /nfs/dbraw/zinc/90/59/38/583905938.db2.gz VWLFRCPYGFPNOH-BAABZTOOSA-N 2 2 297.399 -0.288 20 0 CBADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000865706475 583907867 /nfs/dbraw/zinc/90/78/67/583907867.db2.gz XAGPVBYTDBDHSO-VQTKUKTRSA-N 2 2 296.415 -0.763 20 0 CBADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000865706475 583907868 /nfs/dbraw/zinc/90/78/68/583907868.db2.gz XAGPVBYTDBDHSO-VQTKUKTRSA-N 2 2 296.415 -0.763 20 0 CBADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CC(C)(C)CS(N)(=O)=O ZINC000865813397 583910627 /nfs/dbraw/zinc/91/06/27/583910627.db2.gz RCXIEDXWUQSGSW-UWVGGRQHSA-N 2 2 263.407 -0.159 20 0 CBADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC(C)(C)CS(N)(=O)=O ZINC000865813397 583910629 /nfs/dbraw/zinc/91/06/29/583910629.db2.gz RCXIEDXWUQSGSW-UWVGGRQHSA-N 2 2 263.407 -0.159 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1nccc(N)n1 ZINC000866018653 583914594 /nfs/dbraw/zinc/91/45/94/583914594.db2.gz MLKFJNYBBQYZAT-UHFFFAOYSA-N 2 2 280.376 -0.498 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1nccc(N)n1 ZINC000866018653 583914596 /nfs/dbraw/zinc/91/45/96/583914596.db2.gz MLKFJNYBBQYZAT-UHFFFAOYSA-N 2 2 280.376 -0.498 20 0 CBADLP O=C([C@@H](O)c1c[nH+]c[nH]1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000866378852 583921460 /nfs/dbraw/zinc/92/14/60/583921460.db2.gz BDYMCCPEGCSNSE-YPMHNXCESA-N 2 2 294.355 -0.376 20 0 CBADLP C[N@@H+]1CC[C@H]2C[NH+](CCC(=O)N3CC[NH2+]CC3)CC[C@H]21 ZINC000866703169 583927884 /nfs/dbraw/zinc/92/78/84/583927884.db2.gz GEXAFMAKZSYIAG-UONOGXRCSA-N 3 2 280.416 -0.166 20 0 CBADLP C[N@H+]1CC[C@H]2C[NH+](CCC(=O)N3CC[NH2+]CC3)CC[C@H]21 ZINC000866703169 583927885 /nfs/dbraw/zinc/92/78/85/583927885.db2.gz GEXAFMAKZSYIAG-UONOGXRCSA-N 3 2 280.416 -0.166 20 0 CBADLP C[NH+]1CC[C@H]2C[N@H+](CCC(=O)N3CC[NH2+]CC3)CC[C@H]21 ZINC000866703169 583927886 /nfs/dbraw/zinc/92/78/86/583927886.db2.gz GEXAFMAKZSYIAG-UONOGXRCSA-N 3 2 280.416 -0.166 20 0 CBADLP C[NH+]1CC[C@H]2C[N@@H+](CCC(=O)N3CC[NH2+]CC3)CC[C@H]21 ZINC000866703169 583927887 /nfs/dbraw/zinc/92/78/87/583927887.db2.gz GEXAFMAKZSYIAG-UONOGXRCSA-N 3 2 280.416 -0.166 20 0 CBADLP CCOC(=O)[C@@H](C)[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866712682 583928371 /nfs/dbraw/zinc/92/83/71/583928371.db2.gz VMDCGCKQAQMULT-KXNHARMFSA-N 2 2 297.355 -0.195 20 0 CBADLP CCOC(=O)[C@@H](C)[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866712682 583928372 /nfs/dbraw/zinc/92/83/72/583928372.db2.gz VMDCGCKQAQMULT-KXNHARMFSA-N 2 2 297.355 -0.195 20 0 CBADLP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)[C@@H](C)C1 ZINC000867525257 583956511 /nfs/dbraw/zinc/95/65/11/583956511.db2.gz OPQUGRLRPGGGOL-JBLDHEPKSA-N 2 2 282.344 -0.643 20 0 CBADLP C[C@H](O)C[N@H+]1CCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)[C@@H](C)C1 ZINC000867525257 583956514 /nfs/dbraw/zinc/95/65/14/583956514.db2.gz OPQUGRLRPGGGOL-JBLDHEPKSA-N 2 2 282.344 -0.643 20 0 CBADLP C[C@H]1CN(C(=O)[C@H](O)c2c[nH+]c[nH]2)CC[N@@H+]1CC(C)(C)O ZINC000867654498 583959461 /nfs/dbraw/zinc/95/94/61/583959461.db2.gz LNWMJAXVNOIXSQ-CMPLNLGQSA-N 2 2 296.371 -0.253 20 0 CBADLP C[C@H]1CN(C(=O)[C@H](O)c2c[nH+]c[nH]2)CC[N@H+]1CC(C)(C)O ZINC000867654498 583959463 /nfs/dbraw/zinc/95/94/63/583959463.db2.gz LNWMJAXVNOIXSQ-CMPLNLGQSA-N 2 2 296.371 -0.253 20 0 CBADLP C[N@@H+]1CCn2nc(NC(=O)C[C@@H]3COCC[NH2+]3)cc2C1 ZINC000868036929 583969606 /nfs/dbraw/zinc/96/96/06/583969606.db2.gz LOYORIAPVQFLMT-SNVBAGLBSA-N 2 2 279.344 -0.355 20 0 CBADLP C[N@H+]1CCn2nc(NC(=O)C[C@@H]3COCC[NH2+]3)cc2C1 ZINC000868036929 583969607 /nfs/dbraw/zinc/96/96/07/583969607.db2.gz LOYORIAPVQFLMT-SNVBAGLBSA-N 2 2 279.344 -0.355 20 0 CBADLP C[C@@H]([NH3+])CNC(=O)Nc1cc2n(n1)CC[N@H+](C)C2 ZINC000868203936 583972856 /nfs/dbraw/zinc/97/28/56/583972856.db2.gz ITHRZCJWPQAIOK-MRVPVSSYSA-N 2 2 252.322 -0.203 20 0 CBADLP C[C@@H]([NH3+])CNC(=O)Nc1cc2n(n1)CC[N@@H+](C)C2 ZINC000868203936 583972858 /nfs/dbraw/zinc/97/28/58/583972858.db2.gz ITHRZCJWPQAIOK-MRVPVSSYSA-N 2 2 252.322 -0.203 20 0 CBADLP CC[N@@H+]1CCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)[C@@H](C)C1 ZINC000868269544 583973890 /nfs/dbraw/zinc/97/38/90/583973890.db2.gz GPUGRHOXPNTSFE-ONGXEEELSA-N 2 2 252.318 -0.004 20 0 CBADLP CC[N@H+]1CCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)[C@@H](C)C1 ZINC000868269544 583973892 /nfs/dbraw/zinc/97/38/92/583973892.db2.gz GPUGRHOXPNTSFE-ONGXEEELSA-N 2 2 252.318 -0.004 20 0 CBADLP CC[N@@H+]1CCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)[C@H](C)C1 ZINC000868269543 583973975 /nfs/dbraw/zinc/97/39/75/583973975.db2.gz GPUGRHOXPNTSFE-MWLCHTKSSA-N 2 2 252.318 -0.004 20 0 CBADLP CC[N@H+]1CCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)[C@H](C)C1 ZINC000868269543 583973976 /nfs/dbraw/zinc/97/39/76/583973976.db2.gz GPUGRHOXPNTSFE-MWLCHTKSSA-N 2 2 252.318 -0.004 20 0 CBADLP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000868567239 583981877 /nfs/dbraw/zinc/98/18/77/583981877.db2.gz SHYWVPQUMJHVFD-FBIMIBRVSA-N 2 2 252.318 -0.006 20 0 CBADLP COC(=O)[C@@H]1CN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)CC[N@H+](C)C1 ZINC000868866384 583988495 /nfs/dbraw/zinc/98/84/95/583988495.db2.gz SQKMHCOALVTVEC-ONGXEEELSA-N 2 2 296.327 -0.994 20 0 CBADLP COC(=O)[C@@H]1CN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)CC[N@@H+](C)C1 ZINC000868866384 583988496 /nfs/dbraw/zinc/98/84/96/583988496.db2.gz SQKMHCOALVTVEC-ONGXEEELSA-N 2 2 296.327 -0.994 20 0 CBADLP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000869081606 583992165 /nfs/dbraw/zinc/99/21/65/583992165.db2.gz ONABFXYVOQVFLE-ONGXEEELSA-N 2 2 295.343 -0.979 20 0 CBADLP CC[C@]1(C(=O)NCC[N@H+](C)CCC[NH+](C)C)CCNC1=O ZINC000869242096 583996128 /nfs/dbraw/zinc/99/61/28/583996128.db2.gz HNLRPSOWIMRJJU-HNNXBMFYSA-N 2 2 298.431 -0.098 20 0 CBADLP CC[C@]1(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)CCNC1=O ZINC000869242096 583996131 /nfs/dbraw/zinc/99/61/31/583996131.db2.gz HNLRPSOWIMRJJU-HNNXBMFYSA-N 2 2 298.431 -0.098 20 0 CBADLP C[C@@H](C(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1)[NH+](C)C ZINC000870067383 584008898 /nfs/dbraw/zinc/00/88/98/584008898.db2.gz SJNRTHLRVYFKMA-STQMWFEESA-N 2 2 285.388 -0.504 20 0 CBADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)CC1 ZINC000870895526 584020872 /nfs/dbraw/zinc/02/08/72/584020872.db2.gz DYXWEIMWPQXOBU-ZETOZRRWSA-N 2 2 294.399 -0.478 20 0 CBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000870911172 584021104 /nfs/dbraw/zinc/02/11/04/584021104.db2.gz WERCWRLWUYXJTC-IHRRRGAJSA-N 2 2 299.415 -0.345 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)CC1 ZINC000870919471 584021667 /nfs/dbraw/zinc/02/16/67/584021667.db2.gz YFQJAGJJEQNGGP-IPYPFGDCSA-N 2 2 294.399 -0.606 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000870971450 584023464 /nfs/dbraw/zinc/02/34/64/584023464.db2.gz AUKHEYNZHXUULB-XYPYZODXSA-N 2 2 270.377 -0.704 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000870971450 584023467 /nfs/dbraw/zinc/02/34/67/584023467.db2.gz AUKHEYNZHXUULB-XYPYZODXSA-N 2 2 270.377 -0.704 20 0 CBADLP O=C(NCC[NH+]1CCOCC1)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000871599875 584043111 /nfs/dbraw/zinc/04/31/11/584043111.db2.gz CYIWKWHUYOZVOH-GXTWGEPZSA-N 2 2 282.388 -0.098 20 0 CBADLP Cn1nnnc1C1CC[NH+](C[C@H]2C[NH2+]CCO2)CC1 ZINC000872146122 584047838 /nfs/dbraw/zinc/04/78/38/584047838.db2.gz GGVMSWYYKSYQOQ-LLVKDONJSA-N 2 2 266.349 -0.622 20 0 CBADLP CS(=O)(=O)NCC[N@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000872148557 584048293 /nfs/dbraw/zinc/04/82/93/584048293.db2.gz KCWTVEADYTZYLY-YUMQZZPRSA-N 2 2 289.323 -0.395 20 0 CBADLP CS(=O)(=O)NCC[N@@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000872148557 584048295 /nfs/dbraw/zinc/04/82/95/584048295.db2.gz KCWTVEADYTZYLY-YUMQZZPRSA-N 2 2 289.323 -0.395 20 0 CBADLP CC(C)(O)C[C@@H](O)C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000872216567 584050755 /nfs/dbraw/zinc/05/07/55/584050755.db2.gz XQHNEULMISHCFP-NEPJUHHUSA-N 2 2 287.404 -0.562 20 0 CBADLP CC(C)(O)C[C@@H](O)C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000872216567 584050757 /nfs/dbraw/zinc/05/07/57/584050757.db2.gz XQHNEULMISHCFP-NEPJUHHUSA-N 2 2 287.404 -0.562 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)CCO1 ZINC000872280618 584053141 /nfs/dbraw/zinc/05/31/41/584053141.db2.gz NFHMNOPHVOAESF-OPDFLTKYSA-N 2 2 267.373 -0.049 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)CCO1 ZINC000872280618 584053142 /nfs/dbraw/zinc/05/31/42/584053142.db2.gz NFHMNOPHVOAESF-OPDFLTKYSA-N 2 2 267.373 -0.049 20 0 CBADLP C[C@@H](C(=O)N1CC[NH2+]CCC1(C)C)N1CC[NH2+]CC1=O ZINC000872299682 584054808 /nfs/dbraw/zinc/05/48/08/584054808.db2.gz FVTZQIKKEUDIRX-NSHDSACASA-N 2 2 282.388 -0.593 20 0 CBADLP C[N@@H+]1CC[C@@H](CC(=O)N2CCC[NH+](CC(N)=O)CC2)C1 ZINC000874351320 584082077 /nfs/dbraw/zinc/08/20/77/584082077.db2.gz FNFXDOAOOYJOST-LBPRGKRZSA-N 2 2 282.388 -0.652 20 0 CBADLP C[N@H+]1CC[C@@H](CC(=O)N2CCC[NH+](CC(N)=O)CC2)C1 ZINC000874351320 584082079 /nfs/dbraw/zinc/08/20/79/584082079.db2.gz FNFXDOAOOYJOST-LBPRGKRZSA-N 2 2 282.388 -0.652 20 0 CBADLP C[NH+]1CC[C@@H](CC(=O)N2CCC[N@H+](CC(N)=O)CC2)C1 ZINC000874351320 584082080 /nfs/dbraw/zinc/08/20/80/584082080.db2.gz FNFXDOAOOYJOST-LBPRGKRZSA-N 2 2 282.388 -0.652 20 0 CBADLP C[NH+]1CC[C@@H](CC(=O)N2CCC[N@@H+](CC(N)=O)CC2)C1 ZINC000874351320 584082082 /nfs/dbraw/zinc/08/20/82/584082082.db2.gz FNFXDOAOOYJOST-LBPRGKRZSA-N 2 2 282.388 -0.652 20 0 CBADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)CC[NH+]1CCOCC1 ZINC000874702351 584088957 /nfs/dbraw/zinc/08/89/57/584088957.db2.gz FMFIYPRPQGXYCR-AWEZNQCLSA-N 2 2 299.415 -0.064 20 0 CBADLP CC[C@H]1COCC[N@H+]1CCNC(=O)CC[NH+]1CCOCC1 ZINC000874702351 584088959 /nfs/dbraw/zinc/08/89/59/584088959.db2.gz FMFIYPRPQGXYCR-AWEZNQCLSA-N 2 2 299.415 -0.064 20 0 CBADLP C[NH2+][C@H]1CCN(C(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000876503924 584129919 /nfs/dbraw/zinc/12/99/19/584129919.db2.gz HNMQIGNWVJRMDR-JDGPPOGSSA-N 2 2 253.346 -0.305 20 0 CBADLP O=C(/C=C/C[NH+]1CCOCC1)N1CCC[NH2+]CC1 ZINC000876506000 584129929 /nfs/dbraw/zinc/12/99/29/584129929.db2.gz NBHGIWRUNNJQKH-HNQUOIGGSA-N 2 2 253.346 -0.303 20 0 CBADLP CN(CCN1CC[NH2+]CC1)C(=O)/C=C/C[NH+]1CCOCC1 ZINC000876526392 584131322 /nfs/dbraw/zinc/13/13/22/584131322.db2.gz SLCXBVQEVSCEFE-NSCUHMNNSA-N 2 2 296.415 -0.762 20 0 CBADLP Cc1ccnn1CC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000876541622 584132416 /nfs/dbraw/zinc/13/24/16/584132416.db2.gz COBOACQVRAZLGP-NSHDSACASA-N 2 2 251.334 -0.707 20 0 CBADLP Cc1ccnn1CC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000876541622 584132419 /nfs/dbraw/zinc/13/24/19/584132419.db2.gz COBOACQVRAZLGP-NSHDSACASA-N 2 2 251.334 -0.707 20 0 CBADLP C[C@H]([NH3+])[C@H]1CN(C(=O)/C=C/C[NH+]2CCOCC2)CCO1 ZINC000876542989 584132736 /nfs/dbraw/zinc/13/27/36/584132736.db2.gz CAOGYOMLHMVKAR-OUDYMMNNSA-N 2 2 283.372 -0.551 20 0 CBADLP O=C(NCC[NH+]1CCOCC1)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876707496 584140388 /nfs/dbraw/zinc/14/03/88/584140388.db2.gz ICRHILYYABERJH-WDEREUQCSA-N 2 2 259.325 -0.618 20 0 CBADLP O=C(/C=C\[C@H]1CCC[NH2+]C1)NCC[NH+]1CCOCC1 ZINC000876708142 584140588 /nfs/dbraw/zinc/14/05/88/584140588.db2.gz XTMTVAHKIHNQRJ-DHCBQETCSA-N 2 2 267.373 -0.009 20 0 CBADLP O=C(/C=C\[C@@H]1CCC[NH2+]C1)NCC[NH+]1CCOCC1 ZINC000876708145 584140595 /nfs/dbraw/zinc/14/05/95/584140595.db2.gz XTMTVAHKIHNQRJ-SCOBNMCVSA-N 2 2 267.373 -0.009 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@@H](F)[C@H]2CC[NH2+]C2)CC1 ZINC000876715707 584140658 /nfs/dbraw/zinc/14/06/58/584140658.db2.gz PRRPRFUPNUJIIK-RYUDHWBXSA-N 2 2 273.352 -0.275 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H](F)[C@H]2CC[NH2+]C2)CCO1 ZINC000876746872 584142174 /nfs/dbraw/zinc/14/21/74/584142174.db2.gz QLUMECNMNYQHNT-WOPDTQHZSA-N 2 2 273.352 -0.229 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H](F)[C@H]2CC[NH2+]C2)CCO1 ZINC000876746872 584142176 /nfs/dbraw/zinc/14/21/76/584142176.db2.gz QLUMECNMNYQHNT-WOPDTQHZSA-N 2 2 273.352 -0.229 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876754576 584142747 /nfs/dbraw/zinc/14/27/47/584142747.db2.gz SWGCQRVZMAXZIH-WOPDTQHZSA-N 2 2 273.352 -0.229 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876754576 584142749 /nfs/dbraw/zinc/14/27/49/584142749.db2.gz SWGCQRVZMAXZIH-WOPDTQHZSA-N 2 2 273.352 -0.229 20 0 CBADLP C[C@H]([C@H](C)NC(=O)[C@@H](N)C[NH+](C)C)[NH+]1CCOCC1 ZINC000876755214 584142753 /nfs/dbraw/zinc/14/27/53/584142753.db2.gz HYPBVRHSKRSNCZ-TUAOUCFPSA-N 2 2 272.393 -0.899 20 0 CBADLP C[C@H](NC(=O)[C@@H](N)C[NH+](C)C)[C@H](C)[NH+]1CCOCC1 ZINC000876755212 584142811 /nfs/dbraw/zinc/14/28/11/584142811.db2.gz HYPBVRHSKRSNCZ-SRVKXCTJSA-N 2 2 272.393 -0.899 20 0 CBADLP CCC[NH2+]CCNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000876789960 584144499 /nfs/dbraw/zinc/14/44/99/584144499.db2.gz NYUWOYXUNZAKLV-ONEGZZNKSA-N 2 2 255.362 -0.009 20 0 CBADLP C[C@H](C(=O)N1CCC2(C1)CC[NH2+]CC2)N1CC[NH2+]CC1=O ZINC000876793493 584145131 /nfs/dbraw/zinc/14/51/31/584145131.db2.gz OVGNKOZCFNWSFO-GFCCVEGCSA-N 2 2 294.399 -0.591 20 0 CBADLP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000876830405 584148024 /nfs/dbraw/zinc/14/80/24/584148024.db2.gz ITEFHJMNCQAGMW-LLGAQUFESA-N 2 2 267.373 -0.011 20 0 CBADLP COC[C@]1(CNC(=O)/C=C/C[NH+]2CCOCC2)CCC[NH2+]1 ZINC000876849824 584149764 /nfs/dbraw/zinc/14/97/64/584149764.db2.gz ZIXHBEZDZTZXGV-TXTHVTMNSA-N 2 2 297.399 -0.240 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876877547 584152165 /nfs/dbraw/zinc/15/21/65/584152165.db2.gz DHJOIIBMWPJLIN-NEPJUHHUSA-N 2 2 273.352 -0.275 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876877468 584152211 /nfs/dbraw/zinc/15/22/11/584152211.db2.gz BUAHEFQGNRPKJY-UWVGGRQHSA-N 2 2 277.315 -0.383 20 0 CBADLP C[NH+](C)C[C@H](N)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000876888943 584153542 /nfs/dbraw/zinc/15/35/42/584153542.db2.gz WPMJPLHXILDGDP-NEPJUHHUSA-N 2 2 277.372 -0.335 20 0 CBADLP O=C([C@H](F)[C@@H]1CC[NH2+]C1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000876965793 584158624 /nfs/dbraw/zinc/15/86/24/584158624.db2.gz JZZYSNAULCBRSE-FRRDWIJNSA-N 2 2 285.363 -0.133 20 0 CBADLP [NH3+][C@@H]1CN(C(=O)/C=C\C[NH+]2CCOCC2)CC[C@H]1F ZINC000876978466 584159425 /nfs/dbraw/zinc/15/94/25/584159425.db2.gz KYQUHGDONOQEKE-JZIZGNRHSA-N 2 2 271.336 -0.228 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000877035830 584163056 /nfs/dbraw/zinc/16/30/56/584163056.db2.gz LELHOGZLYKYOBS-SECBINFHSA-N 2 2 279.344 -0.884 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000877035830 584163057 /nfs/dbraw/zinc/16/30/57/584163057.db2.gz LELHOGZLYKYOBS-SECBINFHSA-N 2 2 279.344 -0.884 20 0 CBADLP O=C(NC[C@@H]1COCC[NH2+]1)c1ccc(-n2cc[nH+]c2)nc1 ZINC000877039102 584163323 /nfs/dbraw/zinc/16/33/23/584163323.db2.gz HDCLZWPCKMJRID-GFCCVEGCSA-N 2 2 287.323 -0.015 20 0 CBADLP O=C(NC[C@@H]1COCC[NH2+]1)c1ccnc(-n2cc[nH+]c2)c1 ZINC000877038940 584163455 /nfs/dbraw/zinc/16/34/55/584163455.db2.gz BPXLFXYDSHMCMQ-GFCCVEGCSA-N 2 2 287.323 -0.015 20 0 CBADLP C[C@@H](C(=O)N1CC[N@H+](C)C(C)(C)CC1)N1CC[NH2+]CC1=O ZINC000877206546 584170435 /nfs/dbraw/zinc/17/04/35/584170435.db2.gz JZPXSJVJIWGOLV-LBPRGKRZSA-N 2 2 296.415 -0.251 20 0 CBADLP C[C@@H](C(=O)N1CC[N@@H+](C)C(C)(C)CC1)N1CC[NH2+]CC1=O ZINC000877206546 584170448 /nfs/dbraw/zinc/17/04/48/584170448.db2.gz JZPXSJVJIWGOLV-LBPRGKRZSA-N 2 2 296.415 -0.251 20 0 CBADLP C[C@H](C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1)N1CC[NH2+]CC1=O ZINC000877249740 584172509 /nfs/dbraw/zinc/17/25/09/584172509.db2.gz LOHONXAFIAHLSU-AGIUHOORSA-N 2 2 294.399 -0.641 20 0 CBADLP C[C@H](C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1)N1CC[NH2+]CC1=O ZINC000877249740 584172511 /nfs/dbraw/zinc/17/25/11/584172511.db2.gz LOHONXAFIAHLSU-AGIUHOORSA-N 2 2 294.399 -0.641 20 0 CBADLP C[C@H](NC(=O)[C@H](C)N1CC[NH2+]CC1=O)C1CC[NH2+]CC1 ZINC000877254167 584173371 /nfs/dbraw/zinc/17/33/71/584173371.db2.gz QBBVIJMICLZQNE-QWRGUYRKSA-N 2 2 282.388 -0.689 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877276187 584175452 /nfs/dbraw/zinc/17/54/52/584175452.db2.gz DGSPULRZSWBUKN-CHWSQXEVSA-N 2 2 296.415 -0.204 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877276187 584175453 /nfs/dbraw/zinc/17/54/53/584175453.db2.gz DGSPULRZSWBUKN-CHWSQXEVSA-N 2 2 296.415 -0.204 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCO[C@@H](C(F)F)C1 ZINC000877299587 584176899 /nfs/dbraw/zinc/17/68/99/584176899.db2.gz LXNDSTLJMXGDIV-RKDXNWHRSA-N 2 2 265.304 -0.242 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCO[C@@H](C(F)F)C1 ZINC000877299583 584176932 /nfs/dbraw/zinc/17/69/32/584176932.db2.gz LXNDSTLJMXGDIV-DTWKUNHWSA-N 2 2 265.304 -0.242 20 0 CBADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000877433448 584181181 /nfs/dbraw/zinc/18/11/81/584181181.db2.gz SDVGDVAHXHXDBS-KGLIPLIRSA-N 2 2 299.415 -0.018 20 0 CBADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000877433448 584181184 /nfs/dbraw/zinc/18/11/84/584181184.db2.gz SDVGDVAHXHXDBS-KGLIPLIRSA-N 2 2 299.415 -0.018 20 0 CBADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000877433074 584181304 /nfs/dbraw/zinc/18/13/04/584181304.db2.gz ISFPCTUCWYJFMR-DGCLKSJQSA-N 2 2 273.352 -0.085 20 0 CBADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000877433074 584181305 /nfs/dbraw/zinc/18/13/05/584181305.db2.gz ISFPCTUCWYJFMR-DGCLKSJQSA-N 2 2 273.352 -0.085 20 0 CBADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)C[C@H]1C[NH2+]CCO1 ZINC000877433150 584181310 /nfs/dbraw/zinc/18/13/10/584181310.db2.gz KNSURJDECFJOJF-OLZOCXBDSA-N 2 2 285.388 -0.408 20 0 CBADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)C[C@H]1C[NH2+]CCO1 ZINC000877433150 584181312 /nfs/dbraw/zinc/18/13/12/584181312.db2.gz KNSURJDECFJOJF-OLZOCXBDSA-N 2 2 285.388 -0.408 20 0 CBADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)c1c(C[NH3+])cnn1C ZINC000877434184 584181513 /nfs/dbraw/zinc/18/15/13/584181513.db2.gz OPFCECNCMKTCKS-GFCCVEGCSA-N 2 2 295.387 -0.281 20 0 CBADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)c1c(C[NH3+])cnn1C ZINC000877434184 584181515 /nfs/dbraw/zinc/18/15/15/584181515.db2.gz OPFCECNCMKTCKS-GFCCVEGCSA-N 2 2 295.387 -0.281 20 0 CBADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]([NH3+])COC(C)C ZINC000877433909 584181544 /nfs/dbraw/zinc/18/15/44/584181544.db2.gz KESSIIBBSGNXCJ-OLZOCXBDSA-N 2 2 287.404 -0.034 20 0 CBADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]([NH3+])COC(C)C ZINC000877433909 584181545 /nfs/dbraw/zinc/18/15/45/584181545.db2.gz KESSIIBBSGNXCJ-OLZOCXBDSA-N 2 2 287.404 -0.034 20 0 CBADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000877434157 584181625 /nfs/dbraw/zinc/18/16/25/584181625.db2.gz NZKDVFZFTWNKAG-DZGCQCFKSA-N 2 2 299.415 -0.031 20 0 CBADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000877434157 584181626 /nfs/dbraw/zinc/18/16/26/584181626.db2.gz NZKDVFZFTWNKAG-DZGCQCFKSA-N 2 2 299.415 -0.031 20 0 CBADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H](N)C[NH+](C)C ZINC000877434367 584181935 /nfs/dbraw/zinc/18/19/35/584181935.db2.gz QGKWSHIHRDTTGK-RYUDHWBXSA-N 2 2 272.393 -0.898 20 0 CBADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@@H](N)C[NH+](C)C ZINC000877434367 584181937 /nfs/dbraw/zinc/18/19/37/584181937.db2.gz QGKWSHIHRDTTGK-RYUDHWBXSA-N 2 2 272.393 -0.898 20 0 CBADLP C[C@H](C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C)N1CC[NH2+]CC1=O ZINC000877451448 584182300 /nfs/dbraw/zinc/18/23/00/584182300.db2.gz MGTSVCCXQMHNBC-UPJWGTAASA-N 2 2 294.399 -0.498 20 0 CBADLP C[C@H](C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2C)N1CC[NH2+]CC1=O ZINC000877451448 584182301 /nfs/dbraw/zinc/18/23/01/584182301.db2.gz MGTSVCCXQMHNBC-UPJWGTAASA-N 2 2 294.399 -0.498 20 0 CBADLP CN1C(=O)[C@H]2C[N@H+](Cc3c[nH+]c4n3CCC4)C[C@H]2C1=O ZINC000877718998 584184323 /nfs/dbraw/zinc/18/43/23/584184323.db2.gz BSKZVWZPAMUMDY-PHIMTYICSA-N 2 2 274.324 -0.124 20 0 CBADLP CN1C(=O)[C@H]2C[N@@H+](Cc3c[nH+]c4n3CCC4)C[C@H]2C1=O ZINC000877718998 584184325 /nfs/dbraw/zinc/18/43/25/584184325.db2.gz BSKZVWZPAMUMDY-PHIMTYICSA-N 2 2 274.324 -0.124 20 0 CBADLP CC[N@H+](CC(=O)NC1CC[NH+](C)CC1)CC(=O)N(C)C ZINC000877958613 584188808 /nfs/dbraw/zinc/18/88/08/584188808.db2.gz NVXJPOWWVKCSQU-UHFFFAOYSA-N 2 2 284.404 -0.393 20 0 CBADLP CC[N@@H+](CC(=O)NC1CC[NH+](C)CC1)CC(=O)N(C)C ZINC000877958613 584188810 /nfs/dbraw/zinc/18/88/10/584188810.db2.gz NVXJPOWWVKCSQU-UHFFFAOYSA-N 2 2 284.404 -0.393 20 0 CBADLP CC(C)C[N@H+](CC(N)=O)CC(=O)NC1CC[NH+](C)CC1 ZINC000877958742 584188890 /nfs/dbraw/zinc/18/88/90/584188890.db2.gz WVDDVXJNNXWBCT-UHFFFAOYSA-N 2 2 284.404 -0.360 20 0 CBADLP CC(C)C[N@@H+](CC(N)=O)CC(=O)NC1CC[NH+](C)CC1 ZINC000877958742 584188891 /nfs/dbraw/zinc/18/88/91/584188891.db2.gz WVDDVXJNNXWBCT-UHFFFAOYSA-N 2 2 284.404 -0.360 20 0 CBADLP CNC(=O)[C@H]1CCCC[N@@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000878034322 584190736 /nfs/dbraw/zinc/19/07/36/584190736.db2.gz DDBNQYUFQXSMAT-CYBMUJFWSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)[C@H]1CCCC[N@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000878034322 584190737 /nfs/dbraw/zinc/19/07/37/584190737.db2.gz DDBNQYUFQXSMAT-CYBMUJFWSA-N 2 2 296.415 -0.203 20 0 CBADLP c1nnnn1CC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000878136158 584193986 /nfs/dbraw/zinc/19/39/86/584193986.db2.gz XFHBZFVLUKNTSK-GFCCVEGCSA-N 2 2 266.349 -0.673 20 0 CBADLP c1nnnn1CC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000878136158 584193987 /nfs/dbraw/zinc/19/39/87/584193987.db2.gz XFHBZFVLUKNTSK-GFCCVEGCSA-N 2 2 266.349 -0.673 20 0 CBADLP CC(=O)N1CC[N@H+](CC(=O)NC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000878195424 584196314 /nfs/dbraw/zinc/19/63/14/584196314.db2.gz OCPGSMNSJPNVQP-LBPRGKRZSA-N 2 2 296.415 -0.251 20 0 CBADLP CC(=O)N1CC[N@@H+](CC(=O)NC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000878195424 584196316 /nfs/dbraw/zinc/19/63/16/584196316.db2.gz OCPGSMNSJPNVQP-LBPRGKRZSA-N 2 2 296.415 -0.251 20 0 CBADLP C[C@H]1C[NH+]=C(N2CC[NH+](CCc3nnnn3C)CC2)S1 ZINC000878266341 584198015 /nfs/dbraw/zinc/19/80/15/584198015.db2.gz UOKGNWRYZIKVKB-JTQLQIEISA-N 2 2 295.416 -0.139 20 0 CBADLP C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@](F)(CO)C2)CC1 ZINC000878567995 584208857 /nfs/dbraw/zinc/20/88/57/584208857.db2.gz HCZIOFLTNCCMKS-CYBMUJFWSA-N 2 2 273.352 -0.397 20 0 CBADLP C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@](F)(CO)C2)CC1 ZINC000878567995 584208859 /nfs/dbraw/zinc/20/88/59/584208859.db2.gz HCZIOFLTNCCMKS-CYBMUJFWSA-N 2 2 273.352 -0.397 20 0 CBADLP C[C@@H]1COCC[N@@H+]1C1CC[NH+](CCn2cnnn2)CC1 ZINC000878635787 584211161 /nfs/dbraw/zinc/21/11/61/584211161.db2.gz PYUSONKQWQTPMX-GFCCVEGCSA-N 2 2 280.376 -0.142 20 0 CBADLP C[C@@H]1COCC[N@H+]1C1CC[NH+](CCn2cnnn2)CC1 ZINC000878635787 584211162 /nfs/dbraw/zinc/21/11/62/584211162.db2.gz PYUSONKQWQTPMX-GFCCVEGCSA-N 2 2 280.376 -0.142 20 0 CBADLP COC(=O)/C(C)=C\C[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000879354857 584232890 /nfs/dbraw/zinc/23/28/90/584232890.db2.gz PQUYCXXWGRHSEK-XGICHPGQSA-N 2 2 283.372 -0.189 20 0 CBADLP COC(=O)/C(C)=C\C[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000879354857 584232892 /nfs/dbraw/zinc/23/28/92/584232892.db2.gz PQUYCXXWGRHSEK-XGICHPGQSA-N 2 2 283.372 -0.189 20 0 CBADLP CCN1C[C@@H](C[N@H+](C)CC(=O)N2CC[NH+](C)CC2)OC1=O ZINC000879355640 584233035 /nfs/dbraw/zinc/23/30/35/584233035.db2.gz HWWPWHCITXFNGD-GFCCVEGCSA-N 2 2 298.387 -0.467 20 0 CBADLP CCN1C[C@@H](C[N@@H+](C)CC(=O)N2CC[NH+](C)CC2)OC1=O ZINC000879355640 584233037 /nfs/dbraw/zinc/23/30/37/584233037.db2.gz HWWPWHCITXFNGD-GFCCVEGCSA-N 2 2 298.387 -0.467 20 0 CBADLP COC(=O)CCNC(=O)C[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879567046 584240915 /nfs/dbraw/zinc/24/09/15/584240915.db2.gz LKLLEGXSBAWDLX-RYUDHWBXSA-N 2 2 283.372 -0.308 20 0 CBADLP COC(=O)CCNC(=O)C[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879567046 584240917 /nfs/dbraw/zinc/24/09/17/584240917.db2.gz LKLLEGXSBAWDLX-RYUDHWBXSA-N 2 2 283.372 -0.308 20 0 CBADLP COC(=O)CCNC(=O)C[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879567046 584240919 /nfs/dbraw/zinc/24/09/19/584240919.db2.gz LKLLEGXSBAWDLX-RYUDHWBXSA-N 2 2 283.372 -0.308 20 0 CBADLP COC(=O)CCNC(=O)C[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879567046 584240922 /nfs/dbraw/zinc/24/09/22/584240922.db2.gz LKLLEGXSBAWDLX-RYUDHWBXSA-N 2 2 283.372 -0.308 20 0 CBADLP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879569597 584240932 /nfs/dbraw/zinc/24/09/32/584240932.db2.gz RYECGUYAXREGLF-GARJFASQSA-N 2 2 268.361 -0.144 20 0 CBADLP CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879569597 584240934 /nfs/dbraw/zinc/24/09/34/584240934.db2.gz RYECGUYAXREGLF-GARJFASQSA-N 2 2 268.361 -0.144 20 0 CBADLP CNC(=O)NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879569597 584240936 /nfs/dbraw/zinc/24/09/36/584240936.db2.gz RYECGUYAXREGLF-GARJFASQSA-N 2 2 268.361 -0.144 20 0 CBADLP CNC(=O)NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879569597 584240937 /nfs/dbraw/zinc/24/09/37/584240937.db2.gz RYECGUYAXREGLF-GARJFASQSA-N 2 2 268.361 -0.144 20 0 CBADLP CN(C)S(=O)(=O)CC[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879583649 584241725 /nfs/dbraw/zinc/24/17/25/584241725.db2.gz YYMVVZXMFKPAHQ-VXGBXAGGSA-N 2 2 275.418 -0.096 20 0 CBADLP CN(C)S(=O)(=O)CC[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879583649 584241726 /nfs/dbraw/zinc/24/17/26/584241726.db2.gz YYMVVZXMFKPAHQ-VXGBXAGGSA-N 2 2 275.418 -0.096 20 0 CBADLP CN(C)S(=O)(=O)CC[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879583649 584241727 /nfs/dbraw/zinc/24/17/27/584241727.db2.gz YYMVVZXMFKPAHQ-VXGBXAGGSA-N 2 2 275.418 -0.096 20 0 CBADLP CN(C)S(=O)(=O)CC[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879583649 584241728 /nfs/dbraw/zinc/24/17/28/584241728.db2.gz YYMVVZXMFKPAHQ-VXGBXAGGSA-N 2 2 275.418 -0.096 20 0 CBADLP CNS(=O)(=O)CC[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879579924 584241861 /nfs/dbraw/zinc/24/18/61/584241861.db2.gz QJVHNBOXWHJJTN-GHMZBOCLSA-N 2 2 261.391 -0.438 20 0 CBADLP CNS(=O)(=O)CC[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879579924 584241863 /nfs/dbraw/zinc/24/18/63/584241863.db2.gz QJVHNBOXWHJJTN-GHMZBOCLSA-N 2 2 261.391 -0.438 20 0 CBADLP CNS(=O)(=O)CC[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879579924 584241864 /nfs/dbraw/zinc/24/18/64/584241864.db2.gz QJVHNBOXWHJJTN-GHMZBOCLSA-N 2 2 261.391 -0.438 20 0 CBADLP CNS(=O)(=O)CC[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879579924 584241867 /nfs/dbraw/zinc/24/18/67/584241867.db2.gz QJVHNBOXWHJJTN-GHMZBOCLSA-N 2 2 261.391 -0.438 20 0 CBADLP Cn1nnnc1C1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000879916506 584253933 /nfs/dbraw/zinc/25/39/33/584253933.db2.gz NVBWDFSVUYWYSB-ZDUSSCGKSA-N 2 2 294.403 -0.155 20 0 CBADLP Cn1nnnc1C1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000879916506 584253935 /nfs/dbraw/zinc/25/39/35/584253935.db2.gz NVBWDFSVUYWYSB-ZDUSSCGKSA-N 2 2 294.403 -0.155 20 0 CBADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC(CO)(CO)CC1 ZINC000879970856 584257292 /nfs/dbraw/zinc/25/72/92/584257292.db2.gz FNUWBFPQQPSIGQ-CYBMUJFWSA-N 2 2 274.405 -0.246 20 0 CBADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(CO)(CO)CC1 ZINC000879970856 584257295 /nfs/dbraw/zinc/25/72/95/584257295.db2.gz FNUWBFPQQPSIGQ-CYBMUJFWSA-N 2 2 274.405 -0.246 20 0 CBADLP OC[C@H]1C[N@@H+]2CCC[C@H]2CN1CC[NH+]1CCOCC1 ZINC000880069475 584260218 /nfs/dbraw/zinc/26/02/18/584260218.db2.gz LRHILNJSRZXCRX-UONOGXRCSA-N 2 2 269.389 -0.541 20 0 CBADLP OC[C@H]1C[N@H+]2CCC[C@H]2CN1CC[NH+]1CCOCC1 ZINC000880069475 584260220 /nfs/dbraw/zinc/26/02/20/584260220.db2.gz LRHILNJSRZXCRX-UONOGXRCSA-N 2 2 269.389 -0.541 20 0 CBADLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCC(=O)NC(N)=O ZINC000880130648 584263404 /nfs/dbraw/zinc/26/34/04/584263404.db2.gz HBWXXMWQVQCHSI-NXEZZACHSA-N 2 2 254.334 -0.260 20 0 CBADLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCC(=O)NC(N)=O ZINC000880130648 584263405 /nfs/dbraw/zinc/26/34/05/584263405.db2.gz HBWXXMWQVQCHSI-NXEZZACHSA-N 2 2 254.334 -0.260 20 0 CBADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2CCC(=O)NC(N)=O ZINC000880130648 584263407 /nfs/dbraw/zinc/26/34/07/584263407.db2.gz HBWXXMWQVQCHSI-NXEZZACHSA-N 2 2 254.334 -0.260 20 0 CBADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2CCC(=O)NC(N)=O ZINC000880130648 584263408 /nfs/dbraw/zinc/26/34/08/584263408.db2.gz HBWXXMWQVQCHSI-NXEZZACHSA-N 2 2 254.334 -0.260 20 0 CBADLP O=C1CC[N@H+](CCn2cc[nH+]c2)C2(COC2)CN1 ZINC000880400175 584271654 /nfs/dbraw/zinc/27/16/54/584271654.db2.gz DQAOMKFLMVMFLY-UHFFFAOYSA-N 2 2 250.302 -0.526 20 0 CBADLP O=C1CC[N@@H+](CCn2cc[nH+]c2)C2(COC2)CN1 ZINC000880400175 584271657 /nfs/dbraw/zinc/27/16/57/584271657.db2.gz DQAOMKFLMVMFLY-UHFFFAOYSA-N 2 2 250.302 -0.526 20 0 CBADLP CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC000882488897 584318955 /nfs/dbraw/zinc/31/89/55/584318955.db2.gz XGMAHASSFCWPGZ-RYUDHWBXSA-N 2 2 255.362 -0.083 20 0 CBADLP CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC000882488897 584318958 /nfs/dbraw/zinc/31/89/58/584318958.db2.gz XGMAHASSFCWPGZ-RYUDHWBXSA-N 2 2 255.362 -0.083 20 0 CBADLP CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000882488897 584318959 /nfs/dbraw/zinc/31/89/59/584318959.db2.gz XGMAHASSFCWPGZ-RYUDHWBXSA-N 2 2 255.362 -0.083 20 0 CBADLP CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000882488897 584318962 /nfs/dbraw/zinc/31/89/62/584318962.db2.gz XGMAHASSFCWPGZ-RYUDHWBXSA-N 2 2 255.362 -0.083 20 0 CBADLP CC[N@@H+]1CC[C@@H]1CNS(=O)(=O)C[C@H]1C[NH+](C)CCO1 ZINC000882763420 584324700 /nfs/dbraw/zinc/32/47/00/584324700.db2.gz NTAOMFSEAWNNJM-VXGBXAGGSA-N 2 2 291.417 -0.669 20 0 CBADLP CC[N@H+]1CC[C@@H]1CNS(=O)(=O)C[C@H]1C[NH+](C)CCO1 ZINC000882763420 584324702 /nfs/dbraw/zinc/32/47/02/584324702.db2.gz NTAOMFSEAWNNJM-VXGBXAGGSA-N 2 2 291.417 -0.669 20 0 CBADLP CC[NH+]1CC[C@@H]1CNS(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000882763420 584324703 /nfs/dbraw/zinc/32/47/03/584324703.db2.gz NTAOMFSEAWNNJM-VXGBXAGGSA-N 2 2 291.417 -0.669 20 0 CBADLP CC[NH+]1CC[C@@H]1CNS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000882763420 584324705 /nfs/dbraw/zinc/32/47/05/584324705.db2.gz NTAOMFSEAWNNJM-VXGBXAGGSA-N 2 2 291.417 -0.669 20 0 CBADLP C[C@@H]1C[C@@H]([NH2+]CCN(C)CCOCCO)CC[N@@H+]1C ZINC000883349570 584340155 /nfs/dbraw/zinc/34/01/55/584340155.db2.gz GCUYZOORXKLSRS-KGLIPLIRSA-N 2 2 273.421 -0.001 20 0 CBADLP C[C@@H]1C[C@@H]([NH2+]CCN(C)CCOCCO)CC[N@H+]1C ZINC000883349570 584340157 /nfs/dbraw/zinc/34/01/57/584340157.db2.gz GCUYZOORXKLSRS-KGLIPLIRSA-N 2 2 273.421 -0.001 20 0 CBADLP C[C@H]1C[C@@H]([NH2+]CCN(C)CCOCCO)CC[N@@H+]1C ZINC000883349569 584340205 /nfs/dbraw/zinc/34/02/05/584340205.db2.gz GCUYZOORXKLSRS-KBPBESRZSA-N 2 2 273.421 -0.001 20 0 CBADLP C[C@H]1C[C@@H]([NH2+]CCN(C)CCOCCO)CC[N@H+]1C ZINC000883349569 584340206 /nfs/dbraw/zinc/34/02/06/584340206.db2.gz GCUYZOORXKLSRS-KBPBESRZSA-N 2 2 273.421 -0.001 20 0 CBADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C[C@@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000883423479 584341678 /nfs/dbraw/zinc/34/16/78/584341678.db2.gz LZPNFWLERPKMSL-DYEKYZERSA-N 2 2 298.406 -0.029 20 0 CBADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C[C@@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000883423480 584341724 /nfs/dbraw/zinc/34/17/24/584341724.db2.gz LZPNFWLERPKMSL-OBJOEFQTSA-N 2 2 298.406 -0.029 20 0 CBADLP Cc1nonc1C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000883425360 584341772 /nfs/dbraw/zinc/34/17/72/584341772.db2.gz SJDQWMUWRSKCTP-LLVKDONJSA-N 2 2 279.344 -0.226 20 0 CBADLP Cc1nonc1C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000883425360 584341774 /nfs/dbraw/zinc/34/17/74/584341774.db2.gz SJDQWMUWRSKCTP-LLVKDONJSA-N 2 2 279.344 -0.226 20 0 CBADLP Cn1ccn2c(C[NH2+][C@H]3C[C@@H]([NH3+])C3(C)C)nnc2c1=O ZINC000883441026 584342692 /nfs/dbraw/zinc/34/26/92/584342692.db2.gz FYSSWGXASKYWQX-BDAKNGLRSA-N 2 2 276.344 -0.357 20 0 CBADLP C[NH+]1CCN(C(=O)C(=O)N2CC[NH2+]CCC23CCC3)CC1 ZINC000883656545 584346246 /nfs/dbraw/zinc/34/62/46/584346246.db2.gz CREOLUYMDKJAES-UHFFFAOYSA-N 2 2 294.399 -0.495 20 0 CBADLP C[C@@H](C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])c1cncnc1 ZINC000884041985 584357347 /nfs/dbraw/zinc/35/73/47/584357347.db2.gz MTZJJKPIQFYSAC-PWSUYJOCSA-N 2 2 263.345 -0.319 20 0 CBADLP C[C@@H](C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])c1cncnc1 ZINC000884041985 584357348 /nfs/dbraw/zinc/35/73/48/584357348.db2.gz MTZJJKPIQFYSAC-PWSUYJOCSA-N 2 2 263.345 -0.319 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@H]2C[NH2+]CC2(C)C)CC1 ZINC000884189934 584365339 /nfs/dbraw/zinc/36/53/39/584365339.db2.gz QANWKAYJYIMFFW-CYBMUJFWSA-N 2 2 296.415 -0.488 20 0 CBADLP COCC[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000884206361 584366749 /nfs/dbraw/zinc/36/67/49/584366749.db2.gz SNIKFIHXDXKPKL-LLVKDONJSA-N 2 2 273.377 -0.423 20 0 CBADLP COCC[C@@H]([NH3+])C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000884206361 584366752 /nfs/dbraw/zinc/36/67/52/584366752.db2.gz SNIKFIHXDXKPKL-LLVKDONJSA-N 2 2 273.377 -0.423 20 0 CBADLP C[C@@H](CNC(=O)c1ncoc1C[NH3+])C[NH+]1CCOCC1 ZINC000884205846 584366934 /nfs/dbraw/zinc/36/69/34/584366934.db2.gz HHOWCRDIQJKQDR-JTQLQIEISA-N 2 2 282.344 -0.169 20 0 CBADLP CC1(C)COCC[N@@H+]1CCNC(=O)c1ncoc1C[NH3+] ZINC000884211872 584367593 /nfs/dbraw/zinc/36/75/93/584367593.db2.gz QDPYXMNSPJENTK-UHFFFAOYSA-N 2 2 282.344 -0.026 20 0 CBADLP CC1(C)COCC[N@H+]1CCNC(=O)c1ncoc1C[NH3+] ZINC000884211872 584367594 /nfs/dbraw/zinc/36/75/94/584367594.db2.gz QDPYXMNSPJENTK-UHFFFAOYSA-N 2 2 282.344 -0.026 20 0 CBADLP CO[C@@H](C[NH3+])C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000884213357 584367705 /nfs/dbraw/zinc/36/77/05/584367705.db2.gz ZGHJQYKAVCBRKQ-AXFHLTTASA-N 2 2 259.350 -0.815 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1C[NH2+]CC1(C)C)[NH+]1CCN(C)CC1 ZINC000884234953 584368857 /nfs/dbraw/zinc/36/88/57/584368857.db2.gz IVCZNRPKTRULKK-QWHCGFSZSA-N 2 2 282.432 -0.016 20 0 CBADLP COCCOCC[NH+]1CCN(C(=O)[C@@H]([NH3+])CC2CC2)CC1 ZINC000884388592 584378314 /nfs/dbraw/zinc/37/83/14/584378314.db2.gz ACIQWBHNRQPHKH-AWEZNQCLSA-N 2 2 299.415 -0.079 20 0 CBADLP COCC[C@@H]([NH3+])C(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000884413186 584380149 /nfs/dbraw/zinc/38/01/49/584380149.db2.gz LVZRWOGQRDNXLB-CQSZACIVSA-N 2 2 299.415 -0.079 20 0 CBADLP C[C@@H]([NH3+])CNC(=O)C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000884684309 584395674 /nfs/dbraw/zinc/39/56/74/584395674.db2.gz BOUHWSOHSGILTG-ZWNOBZJWSA-N 2 2 290.367 -0.247 20 0 CBADLP C[C@@H]([NH3+])CNC(=O)C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000884684309 584395676 /nfs/dbraw/zinc/39/56/76/584395676.db2.gz BOUHWSOHSGILTG-ZWNOBZJWSA-N 2 2 290.367 -0.247 20 0 CBADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@](C)(O)C(F)F ZINC000886308490 584436952 /nfs/dbraw/zinc/43/69/52/584436952.db2.gz FBXZUGWVLOVDTD-LBPRGKRZSA-N 2 2 279.331 -0.292 20 0 CBADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@](C)(O)C(F)F ZINC000886308490 584436954 /nfs/dbraw/zinc/43/69/54/584436954.db2.gz FBXZUGWVLOVDTD-LBPRGKRZSA-N 2 2 279.331 -0.292 20 0 CBADLP COC(=O)[C@H]1CC[C@@H]([NH2+]CC[N@@H+]2CC[C@H](O)C2)C1 ZINC000886644822 584444223 /nfs/dbraw/zinc/44/42/23/584444223.db2.gz LIBIWLMQMPJBNY-TUAOUCFPSA-N 2 2 256.346 -0.016 20 0 CBADLP COC(=O)[C@H]1CC[C@@H]([NH2+]CC[N@H+]2CC[C@H](O)C2)C1 ZINC000886644822 584444225 /nfs/dbraw/zinc/44/42/25/584444225.db2.gz LIBIWLMQMPJBNY-TUAOUCFPSA-N 2 2 256.346 -0.016 20 0 CBADLP CC[C@H](C)[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)C(N)=O ZINC000887055947 584459353 /nfs/dbraw/zinc/45/93/53/584459353.db2.gz SNSHPLXYYYQKTF-DLOVCJGASA-N 2 2 257.378 -0.069 20 0 CBADLP CC[C@H](C)[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)C(N)=O ZINC000887055947 584459354 /nfs/dbraw/zinc/45/93/54/584459354.db2.gz SNSHPLXYYYQKTF-DLOVCJGASA-N 2 2 257.378 -0.069 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC000888979018 584509935 /nfs/dbraw/zinc/50/99/35/584509935.db2.gz CNKRMNWCPXUSLJ-UHFFFAOYSA-N 2 2 279.388 -0.103 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC000888979018 584509937 /nfs/dbraw/zinc/50/99/37/584509937.db2.gz CNKRMNWCPXUSLJ-UHFFFAOYSA-N 2 2 279.388 -0.103 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CCN(C)CC[NH+](C)CC2)C1 ZINC000888990705 584512240 /nfs/dbraw/zinc/51/22/40/584512240.db2.gz AMOWFTUCDSRCPR-CQSZACIVSA-N 2 2 298.431 -0.587 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)N2CCN(C)CC[NH+](C)CC2)C1 ZINC000888990705 584512243 /nfs/dbraw/zinc/51/22/43/584512243.db2.gz AMOWFTUCDSRCPR-CQSZACIVSA-N 2 2 298.431 -0.587 20 0 CBADLP CC[NH+]1CCO[C@@H](C(=O)N2CCN(C)CC[N@H+](C)CC2)C1 ZINC000888990705 584512245 /nfs/dbraw/zinc/51/22/45/584512245.db2.gz AMOWFTUCDSRCPR-CQSZACIVSA-N 2 2 298.431 -0.587 20 0 CBADLP CC[NH+]1CCO[C@@H](C(=O)N2CCN(C)CC[N@@H+](C)CC2)C1 ZINC000888990705 584512247 /nfs/dbraw/zinc/51/22/47/584512247.db2.gz AMOWFTUCDSRCPR-CQSZACIVSA-N 2 2 298.431 -0.587 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]3[C@H]2CCC[NH+]3CCO)C1 ZINC000889766796 584536191 /nfs/dbraw/zinc/53/61/91/584536191.db2.gz DAAVWQYOBYUCRI-MCIONIFRSA-N 2 2 297.399 -0.625 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]3[C@H]2CCC[NH+]3CCO)C1 ZINC000889766796 584536192 /nfs/dbraw/zinc/53/61/92/584536192.db2.gz DAAVWQYOBYUCRI-MCIONIFRSA-N 2 2 297.399 -0.625 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)C1 ZINC000889766796 584536194 /nfs/dbraw/zinc/53/61/94/584536194.db2.gz DAAVWQYOBYUCRI-MCIONIFRSA-N 2 2 297.399 -0.625 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)C1 ZINC000889766796 584536196 /nfs/dbraw/zinc/53/61/96/584536196.db2.gz DAAVWQYOBYUCRI-MCIONIFRSA-N 2 2 297.399 -0.625 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000891350105 584579557 /nfs/dbraw/zinc/57/95/57/584579557.db2.gz LVMNWQVGPIYTMX-WOPDTQHZSA-N 2 2 270.377 -0.162 20 0 CBADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCC[C@@H]1C[NH3+] ZINC000891529623 584584415 /nfs/dbraw/zinc/58/44/15/584584415.db2.gz XBQLCAIVZOTBFN-CHWSQXEVSA-N 2 2 283.420 -0.245 20 0 CBADLP CN1CC[N@H+](C)[C@H](CNC(=O)N[C@]23CCC[C@H]2[NH2+]CC3)C1 ZINC000891539444 584584812 /nfs/dbraw/zinc/58/48/12/584584812.db2.gz ARPQQDPCBZYARR-NFAWXSAZSA-N 2 2 295.431 -0.184 20 0 CBADLP CN1CC[N@@H+](C)[C@H](CNC(=O)N[C@]23CCC[C@H]2[NH2+]CC3)C1 ZINC000891539444 584584814 /nfs/dbraw/zinc/58/48/14/584584814.db2.gz ARPQQDPCBZYARR-NFAWXSAZSA-N 2 2 295.431 -0.184 20 0 CBADLP [NH3+][C@H]1C[C@H](CNC(=O)NCC2([NH+]3CCOCC3)CC2)C1 ZINC000891858267 584593278 /nfs/dbraw/zinc/59/32/78/584593278.db2.gz NHWIAFDATCSBBB-HAQNSBGRSA-N 2 2 282.388 -0.112 20 0 CBADLP CN(C)c1cc(N2CCC[N@H+](CC(N)=O)CC2)nc[nH+]1 ZINC000891935097 584594585 /nfs/dbraw/zinc/59/45/85/584594585.db2.gz NXLUARYLKXYIDV-UHFFFAOYSA-N 2 2 278.360 -0.460 20 0 CBADLP CN(C)c1cc(N2CCC[N@@H+](CC(N)=O)CC2)nc[nH+]1 ZINC000891935097 584594587 /nfs/dbraw/zinc/59/45/87/584594587.db2.gz NXLUARYLKXYIDV-UHFFFAOYSA-N 2 2 278.360 -0.460 20 0 CBADLP C[NH2+]CCNC(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000891993535 584597763 /nfs/dbraw/zinc/59/77/63/584597763.db2.gz XXJWNNJDMIDYHJ-UHFFFAOYSA-N 2 2 292.387 -0.434 20 0 CBADLP CCN(C(=O)NC[C@H]1COCC[N@@H+]1C)[C@H]1CC[NH2+]C1 ZINC000892287596 584612594 /nfs/dbraw/zinc/61/25/94/584612594.db2.gz QIBICOIDVQHKPS-RYUDHWBXSA-N 2 2 270.377 -0.290 20 0 CBADLP CCN(C(=O)NC[C@H]1COCC[N@H+]1C)[C@H]1CC[NH2+]C1 ZINC000892287596 584612596 /nfs/dbraw/zinc/61/25/96/584612596.db2.gz QIBICOIDVQHKPS-RYUDHWBXSA-N 2 2 270.377 -0.290 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892287625 584612867 /nfs/dbraw/zinc/61/28/67/584612867.db2.gz REUUALVUBRUAMN-GRYCIOLGSA-N 2 2 268.361 -0.537 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892287625 584612870 /nfs/dbraw/zinc/61/28/70/584612870.db2.gz REUUALVUBRUAMN-GRYCIOLGSA-N 2 2 268.361 -0.537 20 0 CBADLP C[C@@H]1C[C@H](NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])[C@H](C)O1 ZINC000892425504 584616706 /nfs/dbraw/zinc/61/67/06/584616706.db2.gz OGKIPSQATKPENQ-RHYQMDGZSA-N 2 2 270.377 -0.163 20 0 CBADLP C[C@@H]1C[C@H](NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])[C@H](C)O1 ZINC000892425504 584616708 /nfs/dbraw/zinc/61/67/08/584616708.db2.gz OGKIPSQATKPENQ-RHYQMDGZSA-N 2 2 270.377 -0.163 20 0 CBADLP C[N@H+]1CCN(C(=O)NC[C@H]2C[C@H]([NH3+])C2)[C@@H](C[NH3+])C1 ZINC000892568547 584619302 /nfs/dbraw/zinc/61/93/02/584619302.db2.gz WHMOZHWTAJZKDB-DCAQKATOSA-N 3 2 255.366 -0.992 20 0 CBADLP COc1ccc(C[NH2+]CC(=O)N2CC[NH+](C)CC2)nc1 ZINC000892715161 584624195 /nfs/dbraw/zinc/62/41/95/584624195.db2.gz WEILWAAQCOOSEL-UHFFFAOYSA-N 2 2 278.356 -0.046 20 0 CBADLP CC[N@H+](CCO)CC[NH2+]C[C@H]1[C@H](C(=O)OC)C1(F)F ZINC000894478231 584658828 /nfs/dbraw/zinc/65/88/28/584658828.db2.gz VMALJDKHJFOPEB-VHSXEESVSA-N 2 2 280.315 -0.056 20 0 CBADLP CC[N@@H+](CCO)CC[NH2+]C[C@H]1[C@H](C(=O)OC)C1(F)F ZINC000894478231 584658831 /nfs/dbraw/zinc/65/88/31/584658831.db2.gz VMALJDKHJFOPEB-VHSXEESVSA-N 2 2 280.315 -0.056 20 0 CBADLP C[NH+]1CCC(C[N@@H+]2CCn3nnc(CO)c3C2)CC1 ZINC000894561744 584659638 /nfs/dbraw/zinc/65/96/38/584659638.db2.gz SEZQSVJHOAVGJV-UHFFFAOYSA-N 2 2 265.361 -0.072 20 0 CBADLP C[NH+]1CCC(C[N@H+]2CCn3nnc(CO)c3C2)CC1 ZINC000894561744 584659639 /nfs/dbraw/zinc/65/96/39/584659639.db2.gz SEZQSVJHOAVGJV-UHFFFAOYSA-N 2 2 265.361 -0.072 20 0 CBADLP CC[C@H](CO)Nc1cc(NCC[N@H+](C)CCO)nc[nH+]1 ZINC000895241501 584673977 /nfs/dbraw/zinc/67/39/77/584673977.db2.gz RZZXCPOOELZJEC-LLVKDONJSA-N 2 2 283.376 -0.005 20 0 CBADLP CC[C@H](CO)Nc1cc(NCC[N@@H+](C)CCO)nc[nH+]1 ZINC000895241501 584673980 /nfs/dbraw/zinc/67/39/80/584673980.db2.gz RZZXCPOOELZJEC-LLVKDONJSA-N 2 2 283.376 -0.005 20 0 CBADLP C[NH+]1CCN(c2ncc(C[N@@H+]3C[C@@H]4C[C@]4(O)C3)cn2)CC1 ZINC000895645841 584683425 /nfs/dbraw/zinc/68/34/25/584683425.db2.gz DKBVSAFXUTVMMX-ZFWWWQNUSA-N 2 2 289.383 -0.205 20 0 CBADLP C[NH+]1CCN(c2ncc(C[N@H+]3C[C@@H]4C[C@]4(O)C3)cn2)CC1 ZINC000895645841 584683428 /nfs/dbraw/zinc/68/34/28/584683428.db2.gz DKBVSAFXUTVMMX-ZFWWWQNUSA-N 2 2 289.383 -0.205 20 0 CBADLP CN1CCN(C(=O)NC[C@H]2CC[NH+]2C)CC[N@H+](C)CC1 ZINC000896618302 584704060 /nfs/dbraw/zinc/70/40/60/584704060.db2.gz AVAAYOGZOOLHPI-CYBMUJFWSA-N 2 2 283.420 -0.421 20 0 CBADLP CN1CCN(C(=O)NC[C@H]2CC[NH+]2C)CC[N@@H+](C)CC1 ZINC000896618302 584704061 /nfs/dbraw/zinc/70/40/61/584704061.db2.gz AVAAYOGZOOLHPI-CYBMUJFWSA-N 2 2 283.420 -0.421 20 0 CBADLP CN1CCN(C(=O)NC[C@H]2CC[N@@H+]2C)CC[NH+](C)CC1 ZINC000896618302 584704062 /nfs/dbraw/zinc/70/40/62/584704062.db2.gz AVAAYOGZOOLHPI-CYBMUJFWSA-N 2 2 283.420 -0.421 20 0 CBADLP CN1CCN(C(=O)NC[C@H]2CC[N@H+]2C)CC[NH+](C)CC1 ZINC000896618302 584704063 /nfs/dbraw/zinc/70/40/63/584704063.db2.gz AVAAYOGZOOLHPI-CYBMUJFWSA-N 2 2 283.420 -0.421 20 0 CBADLP CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)NCCn1cc[nH+]c1 ZINC000897349846 584713624 /nfs/dbraw/zinc/71/36/24/584713624.db2.gz VMCIIXOZVCNVEO-NSHDSACASA-N 2 2 279.344 -0.790 20 0 CBADLP CC[N@H+]1CC[C@H]1CNC(=O)C(=O)NCCn1cc[nH+]c1 ZINC000897349846 584713626 /nfs/dbraw/zinc/71/36/26/584713626.db2.gz VMCIIXOZVCNVEO-NSHDSACASA-N 2 2 279.344 -0.790 20 0 CBADLP O=C(N[C@@H]1CCC[N@@H+](CCF)C1)[C@H]1C[NH+]2CCN1CCC2 ZINC000898495887 584736644 /nfs/dbraw/zinc/73/66/44/584736644.db2.gz OOLFOMJKWNXREV-ZIAGYGMSSA-N 2 2 298.406 -0.074 20 0 CBADLP O=C(N[C@@H]1CCC[N@H+](CCF)C1)[C@H]1C[NH+]2CCN1CCC2 ZINC000898495887 584736645 /nfs/dbraw/zinc/73/66/45/584736645.db2.gz OOLFOMJKWNXREV-ZIAGYGMSSA-N 2 2 298.406 -0.074 20 0 CBADLP O=C(N[C@@H]1CCC[NH+](CCF)C1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000898495887 584736646 /nfs/dbraw/zinc/73/66/46/584736646.db2.gz OOLFOMJKWNXREV-ZIAGYGMSSA-N 2 2 298.406 -0.074 20 0 CBADLP O=C(N[C@@H]1CCC[NH+](CCF)C1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000898495887 584736647 /nfs/dbraw/zinc/73/66/47/584736647.db2.gz OOLFOMJKWNXREV-ZIAGYGMSSA-N 2 2 298.406 -0.074 20 0 CBADLP CCC[N@H+](C)CC(=O)N[C@H](CO)c1c[nH+]cn1C ZINC000898883806 584744284 /nfs/dbraw/zinc/74/42/84/584744284.db2.gz LISUKZSYFVIDIM-SNVBAGLBSA-N 2 2 254.334 -0.089 20 0 CBADLP CCC[N@@H+](C)CC(=O)N[C@H](CO)c1c[nH+]cn1C ZINC000898883806 584744285 /nfs/dbraw/zinc/74/42/85/584744285.db2.gz LISUKZSYFVIDIM-SNVBAGLBSA-N 2 2 254.334 -0.089 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC000898884091 584744305 /nfs/dbraw/zinc/74/43/05/584744305.db2.gz OKPYPWVDFXKFCS-JTQLQIEISA-N 2 2 254.334 -0.090 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC000898884091 584744306 /nfs/dbraw/zinc/74/43/06/584744306.db2.gz OKPYPWVDFXKFCS-JTQLQIEISA-N 2 2 254.334 -0.090 20 0 CBADLP C[NH+](C)CC1(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)CC1 ZINC000899062461 584749415 /nfs/dbraw/zinc/74/94/15/584749415.db2.gz WYLVMEZENICBNI-UHFFFAOYSA-N 2 2 297.399 -0.107 20 0 CBADLP C[NH+](C)CC1(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)CC1 ZINC000899062461 584749416 /nfs/dbraw/zinc/74/94/16/584749416.db2.gz WYLVMEZENICBNI-UHFFFAOYSA-N 2 2 297.399 -0.107 20 0 CBADLP C[C@@H]1CN(C(=O)NCC[NH+]2CCOCC2)CC[C@@H]1C[NH3+] ZINC000899241881 584754206 /nfs/dbraw/zinc/75/42/06/584754206.db2.gz MREFWNWCLBIHES-CHWSQXEVSA-N 2 2 284.404 -0.055 20 0 CBADLP [NH3+]CC[C@@H]1CCN(C(=O)NCC[NH+]2CCOCC2)C1 ZINC000899241859 584754226 /nfs/dbraw/zinc/75/42/26/584754226.db2.gz MBKBLVZODGNDKC-GFCCVEGCSA-N 2 2 270.377 -0.301 20 0 CBADLP COC[C@@H]1C[NH2+]CCN1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000899248365 584754604 /nfs/dbraw/zinc/75/46/04/584754604.db2.gz OCYPKFZNXWYLJE-RYUDHWBXSA-N 2 2 281.360 -0.099 20 0 CBADLP [NH3+]C[C@@]12CC[C@H]1CCN2C(=O)NCC[NH+]1CCOCC1 ZINC000899247813 584754633 /nfs/dbraw/zinc/75/46/33/584754633.db2.gz KSAPFUUJKCPOFE-JSGCOSHPSA-N 2 2 282.388 -0.159 20 0 CBADLP C[N@@H+]1C[C@@H]2C[NH+]([C@H]3CC(=O)N(CCCO)C3=O)C[C@]2(C)C1 ZINC000899252304 584755052 /nfs/dbraw/zinc/75/50/52/584755052.db2.gz HQZOTYBEODRVQV-XUJVJEKNSA-N 2 2 295.383 -0.620 20 0 CBADLP C[N@H+]1C[C@@H]2C[NH+]([C@H]3CC(=O)N(CCCO)C3=O)C[C@]2(C)C1 ZINC000899252304 584755054 /nfs/dbraw/zinc/75/50/54/584755054.db2.gz HQZOTYBEODRVQV-XUJVJEKNSA-N 2 2 295.383 -0.620 20 0 CBADLP C[NH+]1C[C@@H]2C[N@@H+]([C@H]3CC(=O)N(CCCO)C3=O)C[C@]2(C)C1 ZINC000899252304 584755056 /nfs/dbraw/zinc/75/50/56/584755056.db2.gz HQZOTYBEODRVQV-XUJVJEKNSA-N 2 2 295.383 -0.620 20 0 CBADLP C[NH+]1C[C@@H]2C[N@H+]([C@H]3CC(=O)N(CCCO)C3=O)C[C@]2(C)C1 ZINC000899252304 584755058 /nfs/dbraw/zinc/75/50/58/584755058.db2.gz HQZOTYBEODRVQV-XUJVJEKNSA-N 2 2 295.383 -0.620 20 0 CBADLP C[N@H+](CCO)CCNC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000899732797 584776801 /nfs/dbraw/zinc/77/68/01/584776801.db2.gz NHPNIAPJUBOKHW-UHFFFAOYSA-N 2 2 290.327 -0.684 20 0 CBADLP C[N@@H+](CCO)CCNC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000899732797 584776802 /nfs/dbraw/zinc/77/68/02/584776802.db2.gz NHPNIAPJUBOKHW-UHFFFAOYSA-N 2 2 290.327 -0.684 20 0 CBADLP O[C@@H](C[NH2+]CCC[NH+]1CCOCC1)C1(O)CCC1 ZINC000899856294 584781532 /nfs/dbraw/zinc/78/15/32/584781532.db2.gz RGEKLJZBYMYEJV-LBPRGKRZSA-N 2 2 258.362 -0.426 20 0 CBADLP O[C@@H](C[NH2+]CCC[NH+]1CCOCC1)C1(O)CCOCC1 ZINC000899855882 584781559 /nfs/dbraw/zinc/78/15/59/584781559.db2.gz MGEVXUZCCMSYRS-ZDUSSCGKSA-N 2 2 288.388 -0.799 20 0 CBADLP CC(C)[NH+]1CCN(C(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)CC1 ZINC000900134349 584791950 /nfs/dbraw/zinc/79/19/50/584791950.db2.gz FUIZAQACGJMRDK-GXTWGEPZSA-N 2 2 269.389 -0.006 20 0 CBADLP CC(C)[NH+]1CCN(C(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)CC1 ZINC000900134349 584791952 /nfs/dbraw/zinc/79/19/52/584791952.db2.gz FUIZAQACGJMRDK-GXTWGEPZSA-N 2 2 269.389 -0.006 20 0 CBADLP C/C(=C/C(=O)N1CC[NH+](CCO)CC1)C[NH+]1CCOCC1 ZINC000900147438 584792591 /nfs/dbraw/zinc/79/25/91/584792591.db2.gz MVAXWNYVEQOUIX-OWBHPGMISA-N 2 2 297.399 -0.599 20 0 CBADLP C[NH+](C)CC(=O)N1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000900171269 584794036 /nfs/dbraw/zinc/79/40/36/584794036.db2.gz IRHCXEGHFSVNTH-UHFFFAOYSA-N 2 2 279.344 -0.815 20 0 CBADLP C[N@@H+]1CCC[C@@](O)(CC(=O)NCCn2cc[nH+]c2)C1 ZINC000900193382 584794912 /nfs/dbraw/zinc/79/49/12/584794912.db2.gz IUHMCKSVSACBJW-CYBMUJFWSA-N 2 2 266.345 -0.154 20 0 CBADLP C[N@H+]1CCC[C@@](O)(CC(=O)NCCn2cc[nH+]c2)C1 ZINC000900193382 584794914 /nfs/dbraw/zinc/79/49/14/584794914.db2.gz IUHMCKSVSACBJW-CYBMUJFWSA-N 2 2 266.345 -0.154 20 0 CBADLP Cc1[nH+]ccn1CCNC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC000900448745 584804917 /nfs/dbraw/zinc/80/49/17/584804917.db2.gz NGUPJWBYNDYWJW-AAEUAGOBSA-N 2 2 266.345 -0.237 20 0 CBADLP Cc1[nH+]ccn1CCNC(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC000900448745 584804919 /nfs/dbraw/zinc/80/49/19/584804919.db2.gz NGUPJWBYNDYWJW-AAEUAGOBSA-N 2 2 266.345 -0.237 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@]2(C)C[C@H](O)C[NH+]2C)CCO1 ZINC000900483982 584807174 /nfs/dbraw/zinc/80/71/74/584807174.db2.gz HXGNCOOMBIKXOQ-MBNYWOFBSA-N 2 2 285.388 -0.722 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@]2(C)C[C@H](O)C[NH+]2C)CCO1 ZINC000900483982 584807176 /nfs/dbraw/zinc/80/71/76/584807176.db2.gz HXGNCOOMBIKXOQ-MBNYWOFBSA-N 2 2 285.388 -0.722 20 0 CBADLP C[C@@H]1C[NH+](CCNC(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)CCO1 ZINC000900483982 584807177 /nfs/dbraw/zinc/80/71/77/584807177.db2.gz HXGNCOOMBIKXOQ-MBNYWOFBSA-N 2 2 285.388 -0.722 20 0 CBADLP C[C@@H]1C[NH+](CCNC(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)CCO1 ZINC000900483982 584807180 /nfs/dbraw/zinc/80/71/80/584807180.db2.gz HXGNCOOMBIKXOQ-MBNYWOFBSA-N 2 2 285.388 -0.722 20 0 CBADLP C[C@H](NC(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C)[C@H](C)[NH+]1CCOCC1 ZINC000900591051 584814439 /nfs/dbraw/zinc/81/44/39/584814439.db2.gz GINSANZQKBGYJZ-ABHRYQDASA-N 2 2 299.415 -0.333 20 0 CBADLP C[C@H](NC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C)[C@H](C)[NH+]1CCOCC1 ZINC000900591051 584814440 /nfs/dbraw/zinc/81/44/40/584814440.db2.gz GINSANZQKBGYJZ-ABHRYQDASA-N 2 2 299.415 -0.333 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@H](O)C(C)(C)O)C2)CC1 ZINC000900672161 584820286 /nfs/dbraw/zinc/82/02/86/584820286.db2.gz AGQOMOAAXCKVEL-AAEUAGOBSA-N 2 2 299.415 -0.597 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@H](O)C(C)(C)O)C2)CC1 ZINC000900672161 584820288 /nfs/dbraw/zinc/82/02/88/584820288.db2.gz AGQOMOAAXCKVEL-AAEUAGOBSA-N 2 2 299.415 -0.597 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H]3C[C@@H]3C(N)=O)C2)CC1 ZINC000900676049 584820544 /nfs/dbraw/zinc/82/05/44/584820544.db2.gz ZVTRFBMRMAUXOP-KGYLQXTDSA-N 2 2 294.399 -0.608 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H]3C[C@@H]3C(N)=O)C2)CC1 ZINC000900676049 584820546 /nfs/dbraw/zinc/82/05/46/584820546.db2.gz ZVTRFBMRMAUXOP-KGYLQXTDSA-N 2 2 294.399 -0.608 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000901036090 584842327 /nfs/dbraw/zinc/84/23/27/584842327.db2.gz PUMNDZPWQYCJCG-LBPRGKRZSA-N 2 2 264.329 -0.115 20 0 CBADLP C[C@H](NC(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C)[C@@H]1C[NH+](C)CCO1 ZINC000901140325 584851678 /nfs/dbraw/zinc/85/16/78/584851678.db2.gz WQVIKIZJXJBWKH-MNXVOIDGSA-N 2 2 285.388 -0.723 20 0 CBADLP C[C@H](NC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C)[C@@H]1C[NH+](C)CCO1 ZINC000901140325 584851680 /nfs/dbraw/zinc/85/16/80/584851680.db2.gz WQVIKIZJXJBWKH-MNXVOIDGSA-N 2 2 285.388 -0.723 20 0 CBADLP C[C@H](NC(=O)[C@]1(C)C[C@H](O)C[NH+]1C)[C@@H]1C[N@H+](C)CCO1 ZINC000901140325 584851682 /nfs/dbraw/zinc/85/16/82/584851682.db2.gz WQVIKIZJXJBWKH-MNXVOIDGSA-N 2 2 285.388 -0.723 20 0 CBADLP C[C@H](NC(=O)[C@]1(C)C[C@H](O)C[NH+]1C)[C@@H]1C[N@@H+](C)CCO1 ZINC000901140325 584851684 /nfs/dbraw/zinc/85/16/84/584851684.db2.gz WQVIKIZJXJBWKH-MNXVOIDGSA-N 2 2 285.388 -0.723 20 0 CBADLP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2nnc3n2CCNC3=O)C1 ZINC000902401844 584876205 /nfs/dbraw/zinc/87/62/05/584876205.db2.gz FXVZTCHCCMSGOS-SNVBAGLBSA-N 2 2 292.387 -0.111 20 0 CBADLP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCS(=O)(=O)N1CCCC1 ZINC000902456100 584877354 /nfs/dbraw/zinc/87/73/54/584877354.db2.gz ZZFYKHBJLPGJQH-MNOVXSKESA-N 2 2 261.391 -0.119 20 0 CBADLP [NH3+][C@H]1CCC[C@H]1[NH2+]CCS(=O)(=O)N1CCCC1 ZINC000902456102 584877410 /nfs/dbraw/zinc/87/74/10/584877410.db2.gz ZZFYKHBJLPGJQH-WDEREUQCSA-N 2 2 261.391 -0.119 20 0 CBADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCCn1ccc(=O)[nH]c1=O ZINC000902522429 584877782 /nfs/dbraw/zinc/87/77/82/584877782.db2.gz WWGLKOOESBXUMQ-NEPJUHHUSA-N 2 2 296.371 -0.304 20 0 CBADLP CN(C(=O)CCO)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000902860722 584885355 /nfs/dbraw/zinc/88/53/55/584885355.db2.gz DRSAFAGNZBLGIY-CYBMUJFWSA-N 2 2 269.389 -0.004 20 0 CBADLP CN(C(=O)CCO)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000902860722 584885357 /nfs/dbraw/zinc/88/53/57/584885357.db2.gz DRSAFAGNZBLGIY-CYBMUJFWSA-N 2 2 269.389 -0.004 20 0 CBADLP C[N@H+](CC[NH2+][C@H]1CCO[C@]12CCOC2)CCOCCO ZINC000903219399 584889532 /nfs/dbraw/zinc/88/95/32/584889532.db2.gz IOMSZUDQDFSWMF-KBPBESRZSA-N 2 2 288.388 -0.535 20 0 CBADLP C[N@@H+](CC[NH2+][C@H]1CCO[C@]12CCOC2)CCOCCO ZINC000903219399 584889533 /nfs/dbraw/zinc/88/95/33/584889533.db2.gz IOMSZUDQDFSWMF-KBPBESRZSA-N 2 2 288.388 -0.535 20 0 CBADLP C[N@H+](CC[NH2+][C@@H]1CCO[C@]12CCOC2)CCOCCO ZINC000903219402 584889545 /nfs/dbraw/zinc/88/95/45/584889545.db2.gz IOMSZUDQDFSWMF-KGLIPLIRSA-N 2 2 288.388 -0.535 20 0 CBADLP C[N@@H+](CC[NH2+][C@@H]1CCO[C@]12CCOC2)CCOCCO ZINC000903219402 584889546 /nfs/dbraw/zinc/88/95/46/584889546.db2.gz IOMSZUDQDFSWMF-KGLIPLIRSA-N 2 2 288.388 -0.535 20 0 CBADLP C[C@@H]1C[C@@H]([NH2+]C[C@]2(CO)COCCN2C)C[N@@H+]1C1CC1 ZINC000903282431 584889975 /nfs/dbraw/zinc/88/99/75/584889975.db2.gz UAAHYDNBZLEMPM-NFAWXSAZSA-N 2 2 283.416 -0.106 20 0 CBADLP C[C@@H]1C[C@@H]([NH2+]C[C@]2(CO)COCCN2C)C[N@H+]1C1CC1 ZINC000903282431 584889977 /nfs/dbraw/zinc/88/99/77/584889977.db2.gz UAAHYDNBZLEMPM-NFAWXSAZSA-N 2 2 283.416 -0.106 20 0 CBADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@@]1(CO)COCCN1C ZINC000903282364 584890001 /nfs/dbraw/zinc/89/00/01/584890001.db2.gz SOSRBMARVJQFFV-VHDGCEQUSA-N 2 2 283.416 -0.248 20 0 CBADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@@]1(CO)COCCN1C ZINC000903282364 584890002 /nfs/dbraw/zinc/89/00/02/584890002.db2.gz SOSRBMARVJQFFV-VHDGCEQUSA-N 2 2 283.416 -0.248 20 0 CBADLP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(CO)COCCN2C)C[N@@H+]1C1CC1 ZINC000903282432 584890022 /nfs/dbraw/zinc/89/00/22/584890022.db2.gz UAAHYDNBZLEMPM-UMVBOHGHSA-N 2 2 283.416 -0.106 20 0 CBADLP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(CO)COCCN2C)C[N@H+]1C1CC1 ZINC000903282432 584890023 /nfs/dbraw/zinc/89/00/23/584890023.db2.gz UAAHYDNBZLEMPM-UMVBOHGHSA-N 2 2 283.416 -0.106 20 0 CBADLP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](C[C@H]2CCC[NH2+]2)C1 ZINC000903423197 584890248 /nfs/dbraw/zinc/89/02/48/584890248.db2.gz PUKWPNVHGQWTFA-VXGBXAGGSA-N 3 2 254.378 -0.475 20 0 CBADLP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]2)C1 ZINC000903423197 584890249 /nfs/dbraw/zinc/89/02/49/584890249.db2.gz PUKWPNVHGQWTFA-VXGBXAGGSA-N 3 2 254.378 -0.475 20 0 CBADLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000903449627 584890439 /nfs/dbraw/zinc/89/04/39/584890439.db2.gz WJJDHRXAFYWOIY-HZSPNIEDSA-N 3 2 280.416 -0.262 20 0 CBADLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000903449627 584890440 /nfs/dbraw/zinc/89/04/40/584890440.db2.gz WJJDHRXAFYWOIY-HZSPNIEDSA-N 3 2 280.416 -0.262 20 0 CBADLP COCCNC(=O)CN1CC[NH+](C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903441498 584890488 /nfs/dbraw/zinc/89/04/88/584890488.db2.gz VHMJOJLKUDLNNJ-KGLIPLIRSA-N 2 2 298.431 -0.778 20 0 CBADLP CCN1C(=O)[C@H]2C[N@H+](C[C@@H]3C[NH2+]C[C@H]3C)CCN2C1=O ZINC000903441402 584890519 /nfs/dbraw/zinc/89/05/19/584890519.db2.gz QHLQVLYAJJJZII-GRYCIOLGSA-N 2 2 280.372 -0.190 20 0 CBADLP CCN1C(=O)[C@H]2C[N@@H+](C[C@@H]3C[NH2+]C[C@H]3C)CCN2C1=O ZINC000903441402 584890520 /nfs/dbraw/zinc/89/05/20/584890520.db2.gz QHLQVLYAJJJZII-GRYCIOLGSA-N 2 2 280.372 -0.190 20 0 CBADLP CS(=O)(=O)NCC1CC[NH+](C[C@H]2CCC[NH2+]2)CC1 ZINC000903457476 584890625 /nfs/dbraw/zinc/89/06/25/584890625.db2.gz UJCNGZWXISHYEZ-GFCCVEGCSA-N 2 2 275.418 0.000 20 0 CBADLP Cn1c(C[NH2+][C@H]2CC[NH2+]C23CCC3)cc(=O)n(C)c1=O ZINC000903468617 584890995 /nfs/dbraw/zinc/89/09/95/584890995.db2.gz MBQCESCPIRMHBU-NSHDSACASA-N 2 2 278.356 -0.542 20 0 CBADLP O=C(C[NH2+][C@@H]1CC[NH2+]C12CCC2)N1CCOCC1 ZINC000903464911 584891003 /nfs/dbraw/zinc/89/10/03/584891003.db2.gz CGAFQTXXFLNATR-LLVKDONJSA-N 2 2 253.346 -0.281 20 0 CBADLP O=C(CC[NH2+][C@@H]1CC[NH2+]C12CCC2)N1CC[NH2+]CC1 ZINC000903470933 584891008 /nfs/dbraw/zinc/89/10/08/584891008.db2.gz PXJJAFORPVUQRF-GFCCVEGCSA-N 3 2 266.389 -0.318 20 0 CBADLP O=C(C[NH2+][C@H]1CC[NH2+]C12CCC2)N1CC[NH2+]CC1 ZINC000903466488 584891020 /nfs/dbraw/zinc/89/10/20/584891020.db2.gz UIYJXQHBXNNSOC-NSHDSACASA-N 3 2 252.362 -0.708 20 0 CBADLP CN(C)S(=O)(=O)CC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903472765 584891073 /nfs/dbraw/zinc/89/10/73/584891073.db2.gz WDVDMXRIJUGNBM-JTQLQIEISA-N 2 2 261.391 -0.248 20 0 CBADLP CNC(=O)NC(=O)C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000903486040 584891410 /nfs/dbraw/zinc/89/14/10/584891410.db2.gz RQYJARYIBNJXAZ-VIFPVBQESA-N 2 2 254.334 -0.294 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@@H+]2C[C@H]([NH3+])C(C)(C)C2)CC1 ZINC000903556828 584893130 /nfs/dbraw/zinc/89/31/30/584893130.db2.gz GCBRZLCQYXRPNC-LBPRGKRZSA-N 3 2 268.405 -0.180 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@H+]2C[C@H]([NH3+])C(C)(C)C2)CC1 ZINC000903556828 584893131 /nfs/dbraw/zinc/89/31/31/584893131.db2.gz GCBRZLCQYXRPNC-LBPRGKRZSA-N 3 2 268.405 -0.180 20 0 CBADLP C[NH+]1CCN(C(=O)CCN2C[C@H]([NH3+])C(C)(C)C2)CC1 ZINC000903556828 584893132 /nfs/dbraw/zinc/89/31/32/584893132.db2.gz GCBRZLCQYXRPNC-LBPRGKRZSA-N 2 2 268.405 -0.180 20 0 CBADLP C[C@H]1CCN(S(=O)(=O)NCC[NH+]2CCC([NH3+])CC2)C1 ZINC000903565932 584893422 /nfs/dbraw/zinc/89/34/22/584893422.db2.gz VAZBGKXODNKNAJ-NSHDSACASA-N 2 2 290.433 -0.414 20 0 CBADLP COC[C@H]1C[NH2+]CCN1S(=O)(=O)CC1([NH+](C)C)CC1 ZINC000903599262 584894425 /nfs/dbraw/zinc/89/44/25/584894425.db2.gz YLWFCGBRDPNVFD-LLVKDONJSA-N 2 2 291.417 -0.669 20 0 CBADLP C[C@@H]1C(=O)NCC[N@@H+]1C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903725783 584895947 /nfs/dbraw/zinc/89/59/47/584895947.db2.gz HJGGIHSMZFJRHF-NTZNESFSSA-N 2 2 253.346 -0.425 20 0 CBADLP C[C@@H]1C(=O)NCC[N@H+]1C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903725783 584895946 /nfs/dbraw/zinc/89/59/46/584895946.db2.gz HJGGIHSMZFJRHF-NTZNESFSSA-N 2 2 253.346 -0.425 20 0 CBADLP C[C@H]1C(=O)NCC[N@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903727869 584896161 /nfs/dbraw/zinc/89/61/61/584896161.db2.gz YOJDNVRJFPNNLN-RYUDHWBXSA-N 2 2 267.373 -0.035 20 0 CBADLP C[C@H]1C(=O)NCC[N@@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903727869 584896162 /nfs/dbraw/zinc/89/61/62/584896162.db2.gz YOJDNVRJFPNNLN-RYUDHWBXSA-N 2 2 267.373 -0.035 20 0 CBADLP C[C@@H]1C(=O)NCC[N@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903727870 584896188 /nfs/dbraw/zinc/89/61/88/584896188.db2.gz YOJDNVRJFPNNLN-VXGBXAGGSA-N 2 2 267.373 -0.035 20 0 CBADLP C[C@@H]1C(=O)NCC[N@@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903727870 584896190 /nfs/dbraw/zinc/89/61/90/584896190.db2.gz YOJDNVRJFPNNLN-VXGBXAGGSA-N 2 2 267.373 -0.035 20 0 CBADLP [NH3+]CC[N@H+](CCO)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903744321 584896858 /nfs/dbraw/zinc/89/68/58/584896858.db2.gz RBIAORRTKPKURN-GFCCVEGCSA-N 3 2 257.378 -0.602 20 0 CBADLP [NH3+]CC[N@@H+](CCO)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903744321 584896859 /nfs/dbraw/zinc/89/68/59/584896859.db2.gz RBIAORRTKPKURN-GFCCVEGCSA-N 3 2 257.378 -0.602 20 0 CBADLP C(c1[nH]nc2c1COCC2)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000903749144 584897229 /nfs/dbraw/zinc/89/72/29/584897229.db2.gz GDZQKBDHCIGDCG-GFCCVEGCSA-N 2 2 291.399 -0.038 20 0 CBADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CCN1CCCS1(=O)=O ZINC000903751952 584897416 /nfs/dbraw/zinc/89/74/16/584897416.db2.gz JRVONIPTCATXEC-UTUOFQBUSA-N 2 2 275.418 -0.002 20 0 CBADLP [NH3+][C@]1(CO)CCC[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903786442 584899732 /nfs/dbraw/zinc/89/97/32/584899732.db2.gz IYWTVHADTMYGMJ-DZGCQCFKSA-N 3 2 283.416 -0.069 20 0 CBADLP [NH3+][C@]1(CO)CCC[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903786442 584899733 /nfs/dbraw/zinc/89/97/33/584899733.db2.gz IYWTVHADTMYGMJ-DZGCQCFKSA-N 3 2 283.416 -0.069 20 0 CBADLP [NH3+][C@@]1(CO)CCC[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903786443 584899776 /nfs/dbraw/zinc/89/97/76/584899776.db2.gz IYWTVHADTMYGMJ-HIFRSBDPSA-N 3 2 283.416 -0.069 20 0 CBADLP [NH3+][C@@]1(CO)CCC[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903786443 584899777 /nfs/dbraw/zinc/89/97/77/584899777.db2.gz IYWTVHADTMYGMJ-HIFRSBDPSA-N 3 2 283.416 -0.069 20 0 CBADLP Cn1c(C[N@@H+]2CCC[C@H]3CC[C@@]32C[NH3+])cc(=O)n(C)c1=O ZINC000903799373 584900069 /nfs/dbraw/zinc/90/00/69/584900069.db2.gz RNRJCEMSQOYNRP-XHDPSFHLSA-N 2 2 292.383 -0.213 20 0 CBADLP Cn1c(C[N@H+]2CCC[C@H]3CC[C@@]32C[NH3+])cc(=O)n(C)c1=O ZINC000903799373 584900070 /nfs/dbraw/zinc/90/00/70/584900070.db2.gz RNRJCEMSQOYNRP-XHDPSFHLSA-N 2 2 292.383 -0.213 20 0 CBADLP CN(Cc1c[nH+]c[nH]1)C(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000903792603 584900084 /nfs/dbraw/zinc/90/00/84/584900084.db2.gz SAWMWMXQXBZOQK-JTQLQIEISA-N 2 2 279.344 -0.436 20 0 CBADLP CN(Cc1c[nH]c[nH+]1)C(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000903792603 584900085 /nfs/dbraw/zinc/90/00/85/584900085.db2.gz SAWMWMXQXBZOQK-JTQLQIEISA-N 2 2 279.344 -0.436 20 0 CBADLP C[N@H+](CCN1CC[NH2+]CC1)C1(C[NH3+])CCOCC1 ZINC000903808257 584900265 /nfs/dbraw/zinc/90/02/65/584900265.db2.gz FHKQWLMQBVPWAH-UHFFFAOYSA-N 3 2 256.394 -0.669 20 0 CBADLP C[N@@H+](CCN1CC[NH2+]CC1)C1(C[NH3+])CCOCC1 ZINC000903808257 584900266 /nfs/dbraw/zinc/90/02/66/584900266.db2.gz FHKQWLMQBVPWAH-UHFFFAOYSA-N 3 2 256.394 -0.669 20 0 CBADLP CS(=O)(=O)C[C@@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000903823562 584900775 /nfs/dbraw/zinc/90/07/75/584900775.db2.gz HPZCRCBEAYSIRI-WOPDTQHZSA-N 2 2 276.402 -0.141 20 0 CBADLP CS(=O)(=O)C[C@@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000903823562 584900777 /nfs/dbraw/zinc/90/07/77/584900777.db2.gz HPZCRCBEAYSIRI-WOPDTQHZSA-N 2 2 276.402 -0.141 20 0 CBADLP C[C@](Cn1cccn1)([NH2+]CCC[NH2+]C1CC1)C(N)=O ZINC000903829239 584901155 /nfs/dbraw/zinc/90/11/55/584901155.db2.gz CPYOMOOYWBBDBE-CYBMUJFWSA-N 2 2 265.361 -0.141 20 0 CBADLP CCOC(=O)[C@@H]1C[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000903874645 584903198 /nfs/dbraw/zinc/90/31/98/584903198.db2.gz GMWAITTYJXEUNC-RYUDHWBXSA-N 2 2 284.356 -0.229 20 0 CBADLP CCOC(=O)[C@@H]1C[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000903874645 584903200 /nfs/dbraw/zinc/90/32/00/584903200.db2.gz GMWAITTYJXEUNC-RYUDHWBXSA-N 2 2 284.356 -0.229 20 0 CBADLP C[NH2+]CCC[NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903918038 584904532 /nfs/dbraw/zinc/90/45/32/584904532.db2.gz QRTMVFWOLDKRHV-LLVKDONJSA-N 3 2 252.366 -0.098 20 0 CBADLP CC(C)(C)[NH2+]CC[NH2+]CC[C@H]1CNCCS1(=O)=O ZINC000903969839 584905378 /nfs/dbraw/zinc/90/53/78/584905378.db2.gz MCSVUKOHDXTNOT-NSHDSACASA-N 2 2 277.434 -0.259 20 0 CBADLP CC1(C)C[N@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C[C@H]1[NH3+] ZINC000903986688 584905474 /nfs/dbraw/zinc/90/54/74/584905474.db2.gz PLTDWWGQWRBYOM-NWDGAFQWSA-N 3 2 268.405 -0.147 20 0 CBADLP CC1(C)C[N@@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C[C@H]1[NH3+] ZINC000903986688 584905475 /nfs/dbraw/zinc/90/54/75/584905475.db2.gz PLTDWWGQWRBYOM-NWDGAFQWSA-N 3 2 268.405 -0.147 20 0 CBADLP CC1(C)C[N@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C[C@@H]1[NH3+] ZINC000903986687 584905496 /nfs/dbraw/zinc/90/54/96/584905496.db2.gz PLTDWWGQWRBYOM-NEPJUHHUSA-N 3 2 268.405 -0.147 20 0 CBADLP CC1(C)C[N@@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C[C@@H]1[NH3+] ZINC000903986687 584905497 /nfs/dbraw/zinc/90/54/97/584905497.db2.gz PLTDWWGQWRBYOM-NEPJUHHUSA-N 3 2 268.405 -0.147 20 0 CBADLP C[C@@H]1C[NH2+]C[C@H]([NH2+]CC[C@@H]2CNCCS2(=O)=O)C1 ZINC000903970551 584905517 /nfs/dbraw/zinc/90/55/17/584905517.db2.gz ZGHQQVIQPXCSEI-QJPTWQEYSA-N 2 2 275.418 -0.649 20 0 CBADLP CC(C)(C(=O)N1CC[C@@H]([NH2+]CCO)C1)c1c[nH+]c[nH]1 ZINC000970484692 614292951 /nfs/dbraw/zinc/29/29/51/614292951.db2.gz MQZZXUAXLLCROY-SNVBAGLBSA-N 2 2 266.345 -0.130 20 0 CBADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CC(N)=O)C1 ZINC000971525596 614351462 /nfs/dbraw/zinc/35/14/62/614351462.db2.gz PDLUSAUWXBHYAO-OLZOCXBDSA-N 2 2 296.415 -0.123 20 0 CBADLP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CC(N)=O)C1 ZINC000971525596 614351463 /nfs/dbraw/zinc/35/14/63/614351463.db2.gz PDLUSAUWXBHYAO-OLZOCXBDSA-N 2 2 296.415 -0.123 20 0 CBADLP CC(C)[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CC(N)=O)C1 ZINC000971525596 614351464 /nfs/dbraw/zinc/35/14/64/614351464.db2.gz PDLUSAUWXBHYAO-OLZOCXBDSA-N 2 2 296.415 -0.123 20 0 CBADLP CC(C)[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CC(N)=O)C1 ZINC000971525596 614351465 /nfs/dbraw/zinc/35/14/65/614351465.db2.gz PDLUSAUWXBHYAO-OLZOCXBDSA-N 2 2 296.415 -0.123 20 0 CBADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CC(N)=O)C1 ZINC000969659156 614354579 /nfs/dbraw/zinc/35/45/79/614354579.db2.gz DCRPHGQPZHWBBI-YPMHNXCESA-N 2 2 296.415 -0.219 20 0 CBADLP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CC(N)=O)C1 ZINC000969659156 614354581 /nfs/dbraw/zinc/35/45/81/614354581.db2.gz DCRPHGQPZHWBBI-YPMHNXCESA-N 2 2 296.415 -0.219 20 0 CBADLP CCN(C(=O)[C@H]1CCC[N@@H+]1C)C1C[NH+](C[C@H](C)O)C1 ZINC000949796775 614671104 /nfs/dbraw/zinc/67/11/04/614671104.db2.gz RDSLGGMDYPZGFK-WCQYABFASA-N 2 2 269.389 -0.006 20 0 CBADLP CCN(C(=O)[C@H]1CCC[N@H+]1C)C1C[NH+](C[C@H](C)O)C1 ZINC000949796775 614671105 /nfs/dbraw/zinc/67/11/05/614671105.db2.gz RDSLGGMDYPZGFK-WCQYABFASA-N 2 2 269.389 -0.006 20 0 CBADLP CCN(C(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1)C1C[NH+](CCO)C1 ZINC000950381386 614685276 /nfs/dbraw/zinc/68/52/76/614685276.db2.gz RSTPYZDMHAQKIH-GXTWGEPZSA-N 2 2 297.399 -0.625 20 0 CBADLP CCN(C(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1)C1C[NH+](CCO)C1 ZINC000950381386 614685278 /nfs/dbraw/zinc/68/52/78/614685278.db2.gz RSTPYZDMHAQKIH-GXTWGEPZSA-N 2 2 297.399 -0.625 20 0 CBADLP CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC000972315807 615179089 /nfs/dbraw/zinc/17/90/89/615179089.db2.gz KBNQZZOHERQTKX-HIFRSBDPSA-N 2 2 297.399 -0.360 20 0 CBADLP CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC000972315807 615179090 /nfs/dbraw/zinc/17/90/90/615179090.db2.gz KBNQZZOHERQTKX-HIFRSBDPSA-N 2 2 297.399 -0.360 20 0 CBADLP CC[NH+]1CCO[C@@]2(CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC000972315807 615179092 /nfs/dbraw/zinc/17/90/92/615179092.db2.gz KBNQZZOHERQTKX-HIFRSBDPSA-N 2 2 297.399 -0.360 20 0 CBADLP CC[NH+]1CCO[C@@]2(CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000972315807 615179093 /nfs/dbraw/zinc/17/90/93/615179093.db2.gz KBNQZZOHERQTKX-HIFRSBDPSA-N 2 2 297.399 -0.360 20 0 CBADLP CC[C@@H]([NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1)C(N)=O ZINC000969518610 615537987 /nfs/dbraw/zinc/53/79/87/615537987.db2.gz NJEQEUGQZBDIJA-VXGBXAGGSA-N 2 2 293.371 -0.272 20 0 CBADLP CC[C@H](C(=O)N1CCC[N@@H+]([C@@H](C)C(N)=O)CC1)[NH+](C)C ZINC000981437999 615600904 /nfs/dbraw/zinc/60/09/04/615600904.db2.gz HMLOFNLEZRVBRE-NWDGAFQWSA-N 2 2 284.404 -0.265 20 0 CBADLP CC[C@H](C(=O)N1CCC[N@H+]([C@@H](C)C(N)=O)CC1)[NH+](C)C ZINC000981437999 615600905 /nfs/dbraw/zinc/60/09/05/615600905.db2.gz HMLOFNLEZRVBRE-NWDGAFQWSA-N 2 2 284.404 -0.265 20 0 CBADLP CC[C@H]([NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1)C(N)=O ZINC000969518609 615822253 /nfs/dbraw/zinc/82/22/53/615822253.db2.gz NJEQEUGQZBDIJA-NEPJUHHUSA-N 2 2 293.371 -0.272 20 0 CBADLP CN(C(=O)Cc1c[nH+]c[nH]1)C1CCC([NH2+]CC(N)=O)CC1 ZINC000963955612 615827298 /nfs/dbraw/zinc/82/72/98/615827298.db2.gz PKPHAZGXWACQSQ-UHFFFAOYSA-N 2 2 293.371 -0.203 20 0 CBADLP CN(C(=O)Cc1[nH]cc[nH+]1)C1CCC([NH2+]CC(N)=O)CC1 ZINC000964055993 615828990 /nfs/dbraw/zinc/82/89/90/615828990.db2.gz VQHSZFKHOYHMQQ-UHFFFAOYSA-N 2 2 293.371 -0.203 20 0 CBADLP C[NH+](C)Cc1cc(C(=O)N2CC[C@H]([N@H+](C)CCO)C2)no1 ZINC000971833196 615953088 /nfs/dbraw/zinc/95/30/88/615953088.db2.gz SCEORAINMTVMLC-NSHDSACASA-N 2 2 296.371 -0.125 20 0 CBADLP C[NH+](C)Cc1cc(C(=O)N2CC[C@H]([N@@H+](C)CCO)C2)no1 ZINC000971833196 615953090 /nfs/dbraw/zinc/95/30/90/615953090.db2.gz SCEORAINMTVMLC-NSHDSACASA-N 2 2 296.371 -0.125 20 0 CBADLP C[NH+](C)[C@@H](C(=O)N1CC[NH+](CCO)CC1)C1CC1 ZINC000948761688 615971839 /nfs/dbraw/zinc/97/18/39/615971839.db2.gz OFVSMYYLZSEEIP-GFCCVEGCSA-N 2 2 255.362 -0.537 20 0 CBADLP C[NH+](C)[C@@H](C(=O)N1CCC[N@H+](CC(N)=O)CC1)C1CC1 ZINC000981333109 615971844 /nfs/dbraw/zinc/97/18/44/615971844.db2.gz JZHCLYOZODZICM-CYBMUJFWSA-N 2 2 282.388 -0.654 20 0 CBADLP C[NH+](C)[C@@H](C(=O)N1CCC[N@@H+](CC(N)=O)CC1)C1CC1 ZINC000981333109 615971846 /nfs/dbraw/zinc/97/18/46/615971846.db2.gz JZHCLYOZODZICM-CYBMUJFWSA-N 2 2 282.388 -0.654 20 0 CBADLP C[NH+](C)[C@H](C(=O)N1CC[NH+](CCO)CC1)C1CC1 ZINC000948761689 615987831 /nfs/dbraw/zinc/98/78/31/615987831.db2.gz OFVSMYYLZSEEIP-LBPRGKRZSA-N 2 2 255.362 -0.537 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[NH+](CCCO)CC2(C)C)C1 ZINC000972991033 616260147 /nfs/dbraw/zinc/26/01/47/616260147.db2.gz CNOXLUBDTIQXDZ-STQMWFEESA-N 2 2 299.415 -0.474 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N[C@H]2C[N@H+](CCCO)CC2(C)C)C1 ZINC000972991033 616260149 /nfs/dbraw/zinc/26/01/49/616260149.db2.gz CNOXLUBDTIQXDZ-STQMWFEESA-N 2 2 299.415 -0.474 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N[C@H]2C[N@@H+](CCCO)CC2(C)C)C1 ZINC000972991033 616260150 /nfs/dbraw/zinc/26/01/50/616260150.db2.gz CNOXLUBDTIQXDZ-STQMWFEESA-N 2 2 299.415 -0.474 20 0 CBADLP CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000969700007 616596560 /nfs/dbraw/zinc/59/65/60/616596560.db2.gz MOUBXEZYTWIYBV-NQBHXWOUSA-N 2 2 296.415 -0.491 20 0 CBADLP CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000969700007 616596561 /nfs/dbraw/zinc/59/65/61/616596561.db2.gz MOUBXEZYTWIYBV-NQBHXWOUSA-N 2 2 296.415 -0.491 20 0 CBADLP CNC(=O)C[N@@H+]1CCCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC000981336846 616603215 /nfs/dbraw/zinc/60/32/15/616603215.db2.gz CXSVPNLRYNOYMG-UHFFFAOYSA-N 2 2 296.415 -0.249 20 0 CBADLP CNC(=O)C[N@H+]1CCCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC000981336846 616603216 /nfs/dbraw/zinc/60/32/16/616603216.db2.gz CXSVPNLRYNOYMG-UHFFFAOYSA-N 2 2 296.415 -0.249 20 0 CBADLP CNC(=O)C[NH+]1CCCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC000981336846 616603218 /nfs/dbraw/zinc/60/32/18/616603218.db2.gz CXSVPNLRYNOYMG-UHFFFAOYSA-N 2 2 296.415 -0.249 20 0 CBADLP CNC(=O)C[NH+]1CCCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC000981336846 616603219 /nfs/dbraw/zinc/60/32/19/616603219.db2.gz CXSVPNLRYNOYMG-UHFFFAOYSA-N 2 2 296.415 -0.249 20 0 CBADLP CNC(=O)C[N@@H+]1CCCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC000981323917 616603952 /nfs/dbraw/zinc/60/39/52/616603952.db2.gz AERCLKUOMXFZDB-UHFFFAOYSA-N 2 2 296.415 -0.249 20 0 CBADLP CNC(=O)C[N@H+]1CCCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC000981323917 616603954 /nfs/dbraw/zinc/60/39/54/616603954.db2.gz AERCLKUOMXFZDB-UHFFFAOYSA-N 2 2 296.415 -0.249 20 0 CBADLP CNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000981193933 616604550 /nfs/dbraw/zinc/60/45/50/616604550.db2.gz IWGJEQBKOHOFPW-CHWSQXEVSA-N 2 2 296.415 -0.393 20 0 CBADLP CNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000981193933 616604553 /nfs/dbraw/zinc/60/45/53/616604553.db2.gz IWGJEQBKOHOFPW-CHWSQXEVSA-N 2 2 296.415 -0.393 20 0 CBADLP CNC(=O)C[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000981193933 616604554 /nfs/dbraw/zinc/60/45/54/616604554.db2.gz IWGJEQBKOHOFPW-CHWSQXEVSA-N 2 2 296.415 -0.393 20 0 CBADLP CNC(=O)C[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000981193933 616604556 /nfs/dbraw/zinc/60/45/56/616604556.db2.gz IWGJEQBKOHOFPW-CHWSQXEVSA-N 2 2 296.415 -0.393 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000968648847 616618604 /nfs/dbraw/zinc/61/86/04/616618604.db2.gz XRSSUBAHLSKIRR-STQMWFEESA-N 2 2 296.415 -0.345 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000968648847 616618607 /nfs/dbraw/zinc/61/86/07/616618607.db2.gz XRSSUBAHLSKIRR-STQMWFEESA-N 2 2 296.415 -0.345 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000968648846 616618885 /nfs/dbraw/zinc/61/88/85/616618885.db2.gz XRSSUBAHLSKIRR-QWHCGFSZSA-N 2 2 296.415 -0.345 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000968648846 616618888 /nfs/dbraw/zinc/61/88/88/616618888.db2.gz XRSSUBAHLSKIRR-QWHCGFSZSA-N 2 2 296.415 -0.345 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H](C)C1 ZINC000945806564 616622829 /nfs/dbraw/zinc/62/28/29/616622829.db2.gz FFVHVVNHNCSHMZ-RYUDHWBXSA-N 2 2 293.371 -0.544 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H](C)C1 ZINC000945806564 616622830 /nfs/dbraw/zinc/62/28/30/616622830.db2.gz FFVHVVNHNCSHMZ-RYUDHWBXSA-N 2 2 293.371 -0.544 20 0 CBADLP CNC(=O)C[N@@H+]1C[C@H](NC(=O)[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000972858045 616636304 /nfs/dbraw/zinc/63/63/04/616636304.db2.gz SKUCJIZVGRQJJX-NEPJUHHUSA-N 2 2 296.415 -0.347 20 0 CBADLP CNC(=O)C[N@H+]1C[C@H](NC(=O)[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000972858045 616636308 /nfs/dbraw/zinc/63/63/08/616636308.db2.gz SKUCJIZVGRQJJX-NEPJUHHUSA-N 2 2 296.415 -0.347 20 0 CBADLP CNC(=O)C[NH+]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC000972858045 616636312 /nfs/dbraw/zinc/63/63/12/616636312.db2.gz SKUCJIZVGRQJJX-NEPJUHHUSA-N 2 2 296.415 -0.347 20 0 CBADLP CNC(=O)C[NH+]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC000972858045 616636316 /nfs/dbraw/zinc/63/63/16/616636316.db2.gz SKUCJIZVGRQJJX-NEPJUHHUSA-N 2 2 296.415 -0.347 20 0 CBADLP C[N@@H+](CC(N)=O)C[C@@H]1CN(CCC[NH2+]C2CC2)CCO1 ZINC000923374357 658245448 /nfs/dbraw/zinc/24/54/48/658245448.db2.gz WKZLEDFIMMEXET-CYBMUJFWSA-N 2 2 284.404 -0.754 20 0 CBADLP C[N@H+](CC(N)=O)C[C@@H]1CN(CCC[NH2+]C2CC2)CCO1 ZINC000923374357 658245466 /nfs/dbraw/zinc/24/54/66/658245466.db2.gz WKZLEDFIMMEXET-CYBMUJFWSA-N 2 2 284.404 -0.754 20 0 CBADLP CC[C@H](CNS(C)(=O)=O)[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925679396 658865107 /nfs/dbraw/zinc/86/51/07/658865107.db2.gz CCZXSZWLTJGUFT-ASHHDVGLSA-N 2 2 287.429 -0.100 20 0 CBADLP NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000969136682 658955403 /nfs/dbraw/zinc/95/54/03/658955403.db2.gz YSHSBMQWMKQEDS-GHMZBOCLSA-N 2 2 291.355 -0.879 20 0 CBADLP Cc1[nH+]ccn1CCNC(=O)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000929864396 659182854 /nfs/dbraw/zinc/18/28/54/659182854.db2.gz BGPKAEASSQSRLL-NSHDSACASA-N 2 2 279.344 -0.872 20 0 CBADLP Cc1[nH+]ccn1CCNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000929864396 659182857 /nfs/dbraw/zinc/18/28/57/659182857.db2.gz BGPKAEASSQSRLL-NSHDSACASA-N 2 2 279.344 -0.872 20 0 CBADLP C[N@H+](C[C@@H](O)C[NH2+][C@H]1C(=O)NCC1(C)C)C1CC1 ZINC000931654360 659502966 /nfs/dbraw/zinc/50/29/66/659502966.db2.gz COAKBKMIZAYKNK-QWRGUYRKSA-N 2 2 255.362 -0.444 20 0 CBADLP C[N@@H+](C[C@@H](O)C[NH2+][C@H]1C(=O)NCC1(C)C)C1CC1 ZINC000931654360 659502980 /nfs/dbraw/zinc/50/29/80/659502980.db2.gz COAKBKMIZAYKNK-QWRGUYRKSA-N 2 2 255.362 -0.444 20 0 CBADLP C[NH+](C)C1(C)CC[NH+](CCN2C(=O)CNC2=O)CC1 ZINC000931350708 659441633 /nfs/dbraw/zinc/44/16/33/659441633.db2.gz UYXIJTHIFOXRJD-UHFFFAOYSA-N 2 2 268.361 -0.046 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931436594 659461898 /nfs/dbraw/zinc/46/18/98/659461898.db2.gz IUEYMKMPRLMNSW-RRFJBIMHSA-N 3 2 285.432 -0.191 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931436594 659461902 /nfs/dbraw/zinc/46/19/02/659461902.db2.gz IUEYMKMPRLMNSW-RRFJBIMHSA-N 3 2 285.432 -0.191 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931436594 659461908 /nfs/dbraw/zinc/46/19/08/659461908.db2.gz IUEYMKMPRLMNSW-RRFJBIMHSA-N 3 2 285.432 -0.191 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931436594 659461918 /nfs/dbraw/zinc/46/19/18/659461918.db2.gz IUEYMKMPRLMNSW-RRFJBIMHSA-N 3 2 285.432 -0.191 20 0 CBADLP C[C@H](NC(=O)C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1)C(=O)N(C)C ZINC000931433329 659464095 /nfs/dbraw/zinc/46/40/95/659464095.db2.gz XYXQQUJLUOTBJZ-RWMBFGLXSA-N 2 2 296.415 -0.537 20 0 CBADLP C[C@H](NC(=O)C[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1)C(=O)N(C)C ZINC000931433329 659464118 /nfs/dbraw/zinc/46/41/18/659464118.db2.gz XYXQQUJLUOTBJZ-RWMBFGLXSA-N 2 2 296.415 -0.537 20 0 CBADLP C[C@H](NC(=O)C[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1)C(=O)N(C)C ZINC000931433329 659464129 /nfs/dbraw/zinc/46/41/29/659464129.db2.gz XYXQQUJLUOTBJZ-RWMBFGLXSA-N 2 2 296.415 -0.537 20 0 CBADLP C[C@H](NC(=O)C[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1)C(=O)N(C)C ZINC000931433329 659464145 /nfs/dbraw/zinc/46/41/45/659464145.db2.gz XYXQQUJLUOTBJZ-RWMBFGLXSA-N 2 2 296.415 -0.537 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CCCC[NH2+]1 ZINC000037008650 656002193 /nfs/dbraw/zinc/00/21/93/656002193.db2.gz GEXONJHXZUULLW-NEPJUHHUSA-N 2 2 255.362 -0.035 20 0 CBADLP C[NH+]1CCC(C[NH2+]CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000044518365 656010575 /nfs/dbraw/zinc/01/05/75/656010575.db2.gz DRKXKRMYJVODLN-UHFFFAOYSA-N 3 2 268.405 -0.308 20 0 CBADLP O=C([C@@H]1CC12CC[NH2+]CC2)N1CC[NH+](CCO)CC1 ZINC000070252378 656040737 /nfs/dbraw/zinc/04/07/37/656040737.db2.gz CLUSPRMFBMXPFF-LBPRGKRZSA-N 2 2 267.373 -0.487 20 0 CBADLP CC(=O)OC1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000093208217 656060570 /nfs/dbraw/zinc/06/05/70/656060570.db2.gz SFKMXKBBNBPNKU-UHFFFAOYSA-N 2 2 283.372 -0.212 20 0 CBADLP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)CCO1 ZINC000094341828 656061012 /nfs/dbraw/zinc/06/10/12/656061012.db2.gz SELQKAURWXURIX-UTUOFQBUSA-N 2 2 255.362 -0.097 20 0 CBADLP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)CCO1 ZINC000094341828 656061017 /nfs/dbraw/zinc/06/10/17/656061017.db2.gz SELQKAURWXURIX-UTUOFQBUSA-N 2 2 255.362 -0.097 20 0 CBADLP CN(C)C(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000121178252 656066828 /nfs/dbraw/zinc/06/68/28/656066828.db2.gz TUVCCZBCEZLJOK-CYBMUJFWSA-N 2 2 296.415 -0.297 20 0 CBADLP CN(C)C(=O)C[NH+]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000121178252 656066833 /nfs/dbraw/zinc/06/68/33/656066833.db2.gz TUVCCZBCEZLJOK-CYBMUJFWSA-N 2 2 296.415 -0.297 20 0 CBADLP CN(C)C(=O)C[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000121178252 656066836 /nfs/dbraw/zinc/06/68/36/656066836.db2.gz TUVCCZBCEZLJOK-CYBMUJFWSA-N 2 2 296.415 -0.297 20 0 CBADLP CN1CC[N@H+](C)[C@H](CNC(=O)CC[C@@H]2CCC[NH2+]2)C1 ZINC000261594068 656125142 /nfs/dbraw/zinc/12/51/42/656125142.db2.gz NHUKRPQFKGVPBH-QWHCGFSZSA-N 2 2 268.405 -0.119 20 0 CBADLP CN1CC[N@@H+](C)[C@H](CNC(=O)CC[C@@H]2CCC[NH2+]2)C1 ZINC000261594068 656125143 /nfs/dbraw/zinc/12/51/43/656125143.db2.gz NHUKRPQFKGVPBH-QWHCGFSZSA-N 2 2 268.405 -0.119 20 0 CBADLP CN1CC[N@H+](C)[C@@H](CNC(=O)CC[C@@H]2CCC[NH2+]2)C1 ZINC000261594069 656125396 /nfs/dbraw/zinc/12/53/96/656125396.db2.gz NHUKRPQFKGVPBH-STQMWFEESA-N 2 2 268.405 -0.119 20 0 CBADLP CN1CC[N@@H+](C)[C@@H](CNC(=O)CC[C@@H]2CCC[NH2+]2)C1 ZINC000261594069 656125401 /nfs/dbraw/zinc/12/54/01/656125401.db2.gz NHUKRPQFKGVPBH-STQMWFEESA-N 2 2 268.405 -0.119 20 0 CBADLP CC1(C)NC(=O)N(CC[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)C1=O ZINC000703538259 656183658 /nfs/dbraw/zinc/18/36/58/656183658.db2.gz GONXMLDTCJZFMK-IINYFYTJSA-N 2 2 280.372 -0.142 20 0 CBADLP CC1(C)NC(=O)N(CC[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)C1=O ZINC000703538259 656183660 /nfs/dbraw/zinc/18/36/60/656183660.db2.gz GONXMLDTCJZFMK-IINYFYTJSA-N 2 2 280.372 -0.142 20 0 CBADLP C[NH2+]CCOCC[N@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000706611066 656188223 /nfs/dbraw/zinc/18/82/23/656188223.db2.gz HSRPNGKQSBARFE-CYBMUJFWSA-N 3 2 259.394 -0.389 20 0 CBADLP C[NH2+]CCOCC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000706611066 656188225 /nfs/dbraw/zinc/18/82/25/656188225.db2.gz HSRPNGKQSBARFE-CYBMUJFWSA-N 3 2 259.394 -0.389 20 0 CBADLP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@@H](CO)[C@H]1CO)C1CC1 ZINC000709823318 656196109 /nfs/dbraw/zinc/19/61/09/656196109.db2.gz ALLXRBQINLUVKB-IACUBPJLSA-N 2 2 272.389 -0.493 20 0 CBADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@@H](CO)[C@H]1CO)C1CC1 ZINC000709823318 656196113 /nfs/dbraw/zinc/19/61/13/656196113.db2.gz ALLXRBQINLUVKB-IACUBPJLSA-N 2 2 272.389 -0.493 20 0 CBADLP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@@H](CO)[C@H]1CO)C1CC1 ZINC000709823318 656196116 /nfs/dbraw/zinc/19/61/16/656196116.db2.gz ALLXRBQINLUVKB-IACUBPJLSA-N 2 2 272.389 -0.493 20 0 CBADLP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@@H](CO)[C@H]1CO)C1CC1 ZINC000709823318 656196118 /nfs/dbraw/zinc/19/61/18/656196118.db2.gz ALLXRBQINLUVKB-IACUBPJLSA-N 2 2 272.389 -0.493 20 0 CBADLP [NH3+]C[C@@H]1C[N@H+](CCn2cnnn2)C[C@@H]1C(F)(F)F ZINC000712553665 656210813 /nfs/dbraw/zinc/21/08/13/656210813.db2.gz YSXPLNGZFYYOKG-SFYZADRCSA-N 2 2 264.255 -0.258 20 0 CBADLP [NH3+]C[C@@H]1C[N@@H+](CCn2cnnn2)C[C@@H]1C(F)(F)F ZINC000712553665 656210816 /nfs/dbraw/zinc/21/08/16/656210816.db2.gz YSXPLNGZFYYOKG-SFYZADRCSA-N 2 2 264.255 -0.258 20 0 CBADLP Cn1ncc2c1nc[nH+]c2N1CC[C@@](O)(C[NH+](C)C)C1 ZINC000713677843 656213441 /nfs/dbraw/zinc/21/34/41/656213441.db2.gz OLCSJYNHCUBMKF-CYBMUJFWSA-N 2 2 276.344 -0.134 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](C2OCCO2)C1 ZINC000719082740 656234514 /nfs/dbraw/zinc/23/45/14/656234514.db2.gz LOXLARBSQSHWLT-QWHCGFSZSA-N 2 2 288.388 -0.380 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](C2OCCO2)C1 ZINC000719082740 656234518 /nfs/dbraw/zinc/23/45/18/656234518.db2.gz LOXLARBSQSHWLT-QWHCGFSZSA-N 2 2 288.388 -0.380 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](C2OCCO2)C1 ZINC000719082740 656234520 /nfs/dbraw/zinc/23/45/20/656234520.db2.gz LOXLARBSQSHWLT-QWHCGFSZSA-N 2 2 288.388 -0.380 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](C2OCCO2)C1 ZINC000719082740 656234523 /nfs/dbraw/zinc/23/45/23/656234523.db2.gz LOXLARBSQSHWLT-QWHCGFSZSA-N 2 2 288.388 -0.380 20 0 CBADLP Cn1ncc(C[NH3+])c1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000719293358 656234990 /nfs/dbraw/zinc/23/49/90/656234990.db2.gz KFKZIEJYAXZICC-UHFFFAOYSA-N 2 2 263.345 -0.201 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000884639302 656253465 /nfs/dbraw/zinc/25/34/65/656253465.db2.gz UTFQCGLRFBVJGP-IJLUTSLNSA-N 2 2 293.371 -0.559 20 0 CBADLP CC(=O)OC[C@@H](C)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000895571972 656281627 /nfs/dbraw/zinc/28/16/27/656281627.db2.gz PUUOCWCTYDUSSG-PWSUYJOCSA-N 2 2 271.361 -0.133 20 0 CBADLP CC(=O)OC[C@@H](C)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000895571972 656281631 /nfs/dbraw/zinc/28/16/31/656281631.db2.gz PUUOCWCTYDUSSG-PWSUYJOCSA-N 2 2 271.361 -0.133 20 0 CBADLP CNC(=O)C[NH+](CC(=O)NC)CC1CC[NH+](C)CC1 ZINC000895954506 656286248 /nfs/dbraw/zinc/28/62/48/656286248.db2.gz LWZZSAYHXZRFJN-UHFFFAOYSA-N 2 2 270.377 -0.878 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@]2(C)C[C@@H](O)C[NH+]2C)CC[N@@H+]1C ZINC000900846586 656313614 /nfs/dbraw/zinc/31/36/14/656313614.db2.gz IGIFQSWEZRGSTH-NQBHXWOUSA-N 2 2 255.362 -0.396 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@]2(C)C[C@@H](O)C[NH+]2C)CC[N@H+]1C ZINC000900846586 656313618 /nfs/dbraw/zinc/31/36/18/656313618.db2.gz IGIFQSWEZRGSTH-NQBHXWOUSA-N 2 2 255.362 -0.396 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)CC[NH+]1C ZINC000900846586 656313621 /nfs/dbraw/zinc/31/36/21/656313621.db2.gz IGIFQSWEZRGSTH-NQBHXWOUSA-N 2 2 255.362 -0.396 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)CC[NH+]1C ZINC000900846586 656313623 /nfs/dbraw/zinc/31/36/23/656313623.db2.gz IGIFQSWEZRGSTH-NQBHXWOUSA-N 2 2 255.362 -0.396 20 0 CBADLP C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1cn(C)nn1 ZINC000902791367 656320176 /nfs/dbraw/zinc/32/01/76/656320176.db2.gz VEMVKQPFFZDPCO-NSHDSACASA-N 2 2 280.376 -0.370 20 0 CBADLP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000904332143 656325192 /nfs/dbraw/zinc/32/51/92/656325192.db2.gz NOXXLVYBTUKABQ-FRRDWIJNSA-N 3 2 266.389 -0.380 20 0 CBADLP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000904332143 656325197 /nfs/dbraw/zinc/32/51/97/656325197.db2.gz NOXXLVYBTUKABQ-FRRDWIJNSA-N 3 2 266.389 -0.380 20 0 CBADLP C[C@@]1(C[N@@H+]2CC[C@@H](S(N)(=O)=O)C2)CCC[NH2+]C1 ZINC000904338250 656325539 /nfs/dbraw/zinc/32/55/39/656325539.db2.gz PQOAGQNHSHVVLT-GHMZBOCLSA-N 2 2 261.391 -0.261 20 0 CBADLP C[C@@]1(C[N@H+]2CC[C@@H](S(N)(=O)=O)C2)CCC[NH2+]C1 ZINC000904338250 656325542 /nfs/dbraw/zinc/32/55/42/656325542.db2.gz PQOAGQNHSHVVLT-GHMZBOCLSA-N 2 2 261.391 -0.261 20 0 CBADLP c1nnn([C@H]2CCC[NH2+]C2)c1C[NH2+][C@H]1CNOC1 ZINC000904423591 656326444 /nfs/dbraw/zinc/32/64/44/656326444.db2.gz CUJUHYVTEIFGSA-UWVGGRQHSA-N 2 2 252.322 -0.804 20 0 CBADLP C[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[C@@]32C[NH3+])CC1 ZINC000905001765 656332431 /nfs/dbraw/zinc/33/24/31/656332431.db2.gz QBPHDCQMDVBDRX-SMDDNHRTSA-N 2 2 280.372 -0.900 20 0 CBADLP C[C@@H](C[NH3+])CNS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000905342166 656350197 /nfs/dbraw/zinc/35/01/97/656350197.db2.gz HAXQUHWNWVWXRQ-NSHDSACASA-N 2 2 279.406 -0.777 20 0 CBADLP Cn1nc(C2CC2)nc1C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000905294212 656349132 /nfs/dbraw/zinc/34/91/32/656349132.db2.gz RHMXCNFIPHVTKR-UHFFFAOYSA-N 2 2 292.387 -0.155 20 0 CBADLP CC(C)(C[NH3+])NS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000905329701 656349372 /nfs/dbraw/zinc/34/93/72/656349372.db2.gz LZNIBGAXAQXPBG-UHFFFAOYSA-N 2 2 279.406 -0.635 20 0 CBADLP C[C@@H](CCC[NH3+])NS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000905344977 656351253 /nfs/dbraw/zinc/35/12/53/656351253.db2.gz SCMJIRBKYHMALU-LBPRGKRZSA-N 2 2 293.433 -0.245 20 0 CBADLP C[NH2+]C[C@@H](C)NS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000905362362 656353652 /nfs/dbraw/zinc/35/36/52/656353652.db2.gz RKWSAVSHKOZFFT-LLVKDONJSA-N 2 2 279.406 -0.764 20 0 CBADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)C1(O)CCC1 ZINC000905367640 656354412 /nfs/dbraw/zinc/35/44/12/656354412.db2.gz LFZSPHHVUKZCOM-OLZOCXBDSA-N 2 2 272.389 -0.301 20 0 CBADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)C1(O)CCC1 ZINC000905367640 656354415 /nfs/dbraw/zinc/35/44/15/656354415.db2.gz LFZSPHHVUKZCOM-OLZOCXBDSA-N 2 2 272.389 -0.301 20 0 CBADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C[C@H](O)C1(O)CCCC1 ZINC000905391552 656356269 /nfs/dbraw/zinc/35/62/69/656356269.db2.gz VTTCZRDQQSANLZ-STQMWFEESA-N 2 2 299.415 -0.418 20 0 CBADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C[C@H](O)C1(O)CCCC1 ZINC000905391552 656356272 /nfs/dbraw/zinc/35/62/72/656356272.db2.gz VTTCZRDQQSANLZ-STQMWFEESA-N 2 2 299.415 -0.418 20 0 CBADLP C[C@@H](O)C[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000905448045 656357364 /nfs/dbraw/zinc/35/73/64/656357364.db2.gz WZDROVNQQAFMKY-ZIAGYGMSSA-N 2 2 271.405 -0.247 20 0 CBADLP CCO[C@@H](C[NH2+]C[C@@H](O)C1(O)CCC1)C[NH+](C)C ZINC000905577005 656362674 /nfs/dbraw/zinc/36/26/74/656362674.db2.gz SQTPYLDDYQHNCV-NWDGAFQWSA-N 2 2 260.378 -0.181 20 0 CBADLP CCO[C@H](C[NH2+]C[C@@H](O)Cn1cccn1)C[NH+](C)C ZINC000905579825 656362732 /nfs/dbraw/zinc/36/27/32/656362732.db2.gz LNIPUQJZVQFZME-CHWSQXEVSA-N 2 2 270.377 -0.200 20 0 CBADLP Cn1nccc1[C@@H](O)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000905627218 656363615 /nfs/dbraw/zinc/36/36/15/656363615.db2.gz TXOGFYQKIXTQCF-YPMHNXCESA-N 2 2 268.361 -0.500 20 0 CBADLP C[N@@H+]1CC[C@@H]1CNC(=S)NCCC[NH+]1CCOCC1 ZINC000905647727 656364222 /nfs/dbraw/zinc/36/42/22/656364222.db2.gz HGULVUKIOCMOST-GFCCVEGCSA-N 2 2 286.445 -0.123 20 0 CBADLP C[N@H+]1CC[C@@H]1CNC(=S)NCCC[NH+]1CCOCC1 ZINC000905647727 656364225 /nfs/dbraw/zinc/36/42/25/656364225.db2.gz HGULVUKIOCMOST-GFCCVEGCSA-N 2 2 286.445 -0.123 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000906196937 656379165 /nfs/dbraw/zinc/37/91/65/656379165.db2.gz BZNTUKCTUSJQSP-GFCCVEGCSA-N 2 2 279.388 -0.119 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000906196937 656379168 /nfs/dbraw/zinc/37/91/68/656379168.db2.gz BZNTUKCTUSJQSP-GFCCVEGCSA-N 2 2 279.388 -0.119 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000906196938 656379397 /nfs/dbraw/zinc/37/93/97/656379397.db2.gz BZNTUKCTUSJQSP-LBPRGKRZSA-N 2 2 279.388 -0.119 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000906196938 656379399 /nfs/dbraw/zinc/37/93/99/656379399.db2.gz BZNTUKCTUSJQSP-LBPRGKRZSA-N 2 2 279.388 -0.119 20 0 CBADLP C[C@H](O)C[NH+]1CCN(C(=O)C2CN(C)CC[N@H+](C)C2)CC1 ZINC000906595999 656393199 /nfs/dbraw/zinc/39/31/99/656393199.db2.gz PVHQGTFZVXEAHZ-ZDUSSCGKSA-N 2 2 298.431 -0.995 20 0 CBADLP C[C@H](O)C[NH+]1CCN(C(=O)C2CN(C)CC[N@@H+](C)C2)CC1 ZINC000906595999 656393202 /nfs/dbraw/zinc/39/32/02/656393202.db2.gz PVHQGTFZVXEAHZ-ZDUSSCGKSA-N 2 2 298.431 -0.995 20 0 CBADLP C[C@@H](O)C[NH+]1CCN(C(=O)C2CN(C)CC[N@H+](C)C2)CC1 ZINC000906595997 656393295 /nfs/dbraw/zinc/39/32/95/656393295.db2.gz PVHQGTFZVXEAHZ-CYBMUJFWSA-N 2 2 298.431 -0.995 20 0 CBADLP C[C@@H](O)C[NH+]1CCN(C(=O)C2CN(C)CC[N@@H+](C)C2)CC1 ZINC000906595997 656393296 /nfs/dbraw/zinc/39/32/96/656393296.db2.gz PVHQGTFZVXEAHZ-CYBMUJFWSA-N 2 2 298.431 -0.995 20 0 CBADLP CN(C(=O)CCC(N)=O)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000906654590 656395083 /nfs/dbraw/zinc/39/50/83/656395083.db2.gz KNTNUHGSTRAKLQ-CYBMUJFWSA-N 2 2 296.415 -0.121 20 0 CBADLP CN(C(=O)CCC(N)=O)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000906654590 656395086 /nfs/dbraw/zinc/39/50/86/656395086.db2.gz KNTNUHGSTRAKLQ-CYBMUJFWSA-N 2 2 296.415 -0.121 20 0 CBADLP COC(=O)CC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000906662226 656395994 /nfs/dbraw/zinc/39/59/94/656395994.db2.gz VTLLIQIHABGGRE-LLVKDONJSA-N 2 2 283.372 -0.166 20 0 CBADLP COC(=O)CC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000906662226 656395998 /nfs/dbraw/zinc/39/59/98/656395998.db2.gz VTLLIQIHABGGRE-LLVKDONJSA-N 2 2 283.372 -0.166 20 0 CBADLP CC1(C)CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH2+]CCO ZINC000996459097 656413517 /nfs/dbraw/zinc/41/35/17/656413517.db2.gz ZTJUXXJSPNAGPT-SNVBAGLBSA-N 2 2 266.345 -0.229 20 0 CBADLP C[C@@H](CC(=O)N1CCC([NH2+]CC(N)=O)CC1)n1cc[nH+]c1 ZINC000997045944 656464312 /nfs/dbraw/zinc/46/43/12/656464312.db2.gz OMFOYXDRPKUXEG-NSHDSACASA-N 2 2 293.371 -0.100 20 0 CBADLP C[C@H]([NH2+]C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1)C(N)=O ZINC000997037042 656464350 /nfs/dbraw/zinc/46/43/50/656464350.db2.gz RHKGEOAJTJBORE-VIFPVBQESA-N 2 2 279.344 -0.593 20 0 CBADLP C[C@@H]([NH2+]C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1)C(N)=O ZINC000997121304 656467635 /nfs/dbraw/zinc/46/76/35/656467635.db2.gz VVPAHHFDGMCLSW-SECBINFHSA-N 2 2 279.344 -0.593 20 0 CBADLP C/C(=C\C(=O)NC[C@@]1(O)CC[N@@H+](C)C1)C[NH+]1CCOCC1 ZINC000907389853 656500124 /nfs/dbraw/zinc/50/01/24/656500124.db2.gz VBWYRDZZUJZHKI-GLNPCMGASA-N 2 2 297.399 -0.552 20 0 CBADLP C/C(=C\C(=O)NC[C@@]1(O)CC[N@H+](C)C1)C[NH+]1CCOCC1 ZINC000907389853 656500134 /nfs/dbraw/zinc/50/01/34/656500134.db2.gz VBWYRDZZUJZHKI-GLNPCMGASA-N 2 2 297.399 -0.552 20 0 CBADLP C[C@H]([NH2+][C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1)C(N)=O ZINC000999043925 656604609 /nfs/dbraw/zinc/60/46/09/656604609.db2.gz KXKGBKQAROPTKI-QWRGUYRKSA-N 2 2 293.371 -0.203 20 0 CBADLP CN(C(=O)C(C)(C)[NH+]1CCOCC1)C1CC([NH2+]CCO)C1 ZINC000999557325 656632902 /nfs/dbraw/zinc/63/29/02/656632902.db2.gz SFHGDVYQCATYSU-UHFFFAOYSA-N 2 2 299.415 -0.332 20 0 CBADLP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000908134090 656652520 /nfs/dbraw/zinc/65/25/20/656652520.db2.gz MYSWJPWYRQEDLP-QKCSRTOESA-N 2 2 278.356 -0.231 20 0 CBADLP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000908134090 656652531 /nfs/dbraw/zinc/65/25/31/656652531.db2.gz MYSWJPWYRQEDLP-QKCSRTOESA-N 2 2 278.356 -0.231 20 0 CBADLP C[C@@H]([NH2+][C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1)C(N)=O ZINC000999837852 656655060 /nfs/dbraw/zinc/65/50/60/656655060.db2.gz SZEQJYVHWMMTRK-NEPJUHHUSA-N 2 2 293.371 -0.272 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC000908203278 656667746 /nfs/dbraw/zinc/66/77/46/656667746.db2.gz MGEVTFLLCFAUCD-LLVKDONJSA-N 2 2 266.345 -0.166 20 0 CBADLP C[C@H]([NH2+]C1CC(N(C)C(=O)Cn2cc[nH+]c2)C1)C(N)=O ZINC000999916049 656668223 /nfs/dbraw/zinc/66/82/23/656668223.db2.gz NJFBACGHLNIJRK-WHXUTIOJSA-N 2 2 279.344 -0.664 20 0 CBADLP Cn1c[nH+]cc1CNC(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000908259448 656687357 /nfs/dbraw/zinc/68/73/57/656687357.db2.gz IPKMPRWEPLIJBQ-CMPLNLGQSA-N 2 2 252.318 -0.509 20 0 CBADLP Cn1c[nH+]cc1CNC(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC000908259448 656687371 /nfs/dbraw/zinc/68/73/71/656687371.db2.gz IPKMPRWEPLIJBQ-CMPLNLGQSA-N 2 2 252.318 -0.509 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@H]([NH2+]CCO)C1 ZINC001000314954 656711042 /nfs/dbraw/zinc/71/10/42/656711042.db2.gz AMEPWBOLFAEITD-JTQLQIEISA-N 2 2 252.318 -0.475 20 0 CBADLP C[C@@H]1CN(C(=O)[C@]2(C)C[C@@H](O)C[NH+]2C)C[C@H](C)[N@H+]1C ZINC000908435061 656727144 /nfs/dbraw/zinc/72/71/44/656727144.db2.gz APGJIWOGVLVRBH-CZXHOFHRSA-N 2 2 269.389 -0.008 20 0 CBADLP C[C@@H]1CN(C(=O)[C@]2(C)C[C@@H](O)C[NH+]2C)C[C@H](C)[N@@H+]1C ZINC000908435061 656727149 /nfs/dbraw/zinc/72/71/49/656727149.db2.gz APGJIWOGVLVRBH-CZXHOFHRSA-N 2 2 269.389 -0.008 20 0 CBADLP C[C@@H]1CN(C(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)C[C@H](C)[NH+]1C ZINC000908435061 656727153 /nfs/dbraw/zinc/72/71/53/656727153.db2.gz APGJIWOGVLVRBH-CZXHOFHRSA-N 2 2 269.389 -0.008 20 0 CBADLP C[C@@H]1CN(C(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)C[C@H](C)[NH+]1C ZINC000908435061 656727162 /nfs/dbraw/zinc/72/71/62/656727162.db2.gz APGJIWOGVLVRBH-CZXHOFHRSA-N 2 2 269.389 -0.008 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001000558895 656736025 /nfs/dbraw/zinc/73/60/25/656736025.db2.gz LRNYJIDVCYDLIJ-GFCCVEGCSA-N 2 2 291.355 -0.627 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001000558895 656736026 /nfs/dbraw/zinc/73/60/26/656736026.db2.gz LRNYJIDVCYDLIJ-GFCCVEGCSA-N 2 2 291.355 -0.627 20 0 CBADLP C[C@@H]([NH2+][C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1)C(N)=O ZINC001000545515 656736238 /nfs/dbraw/zinc/73/62/38/656736238.db2.gz NEPVOCLWQYGAJF-ZJUUUORDSA-N 2 2 279.344 -0.593 20 0 CBADLP C[C@@H]([NH2+][C@@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1)C(N)=O ZINC001000691826 656759627 /nfs/dbraw/zinc/75/96/27/656759627.db2.gz APUSQEHMWHIOJC-GHMZBOCLSA-N 2 2 293.371 -0.583 20 0 CBADLP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1=CC[NH+](CC(N)=O)CC1 ZINC001000848114 656769609 /nfs/dbraw/zinc/76/96/09/656769609.db2.gz AKXWQXWSACVLIQ-CYBMUJFWSA-N 2 2 294.399 -0.296 20 0 CBADLP C[N@H+]1CCCC[C@@H]1C(=O)NCC1=CC[NH+](CC(N)=O)CC1 ZINC001000848114 656769615 /nfs/dbraw/zinc/76/96/15/656769615.db2.gz AKXWQXWSACVLIQ-CYBMUJFWSA-N 2 2 294.399 -0.296 20 0 CBADLP C[NH+]1CCCC[C@@H]1C(=O)NCC1=CC[N@H+](CC(N)=O)CC1 ZINC001000848114 656769625 /nfs/dbraw/zinc/76/96/25/656769625.db2.gz AKXWQXWSACVLIQ-CYBMUJFWSA-N 2 2 294.399 -0.296 20 0 CBADLP C[NH+]1CCCC[C@@H]1C(=O)NCC1=CC[N@@H+](CC(N)=O)CC1 ZINC001000848114 656769638 /nfs/dbraw/zinc/76/96/38/656769638.db2.gz AKXWQXWSACVLIQ-CYBMUJFWSA-N 2 2 294.399 -0.296 20 0 CBADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H](C)[N@H+]1CCO ZINC000909031786 656773903 /nfs/dbraw/zinc/77/39/03/656773903.db2.gz MVDMUMFYANMUMK-PHIMTYICSA-N 2 2 266.345 -0.134 20 0 CBADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H](C)[N@@H+]1CCO ZINC000909031786 656773908 /nfs/dbraw/zinc/77/39/08/656773908.db2.gz MVDMUMFYANMUMK-PHIMTYICSA-N 2 2 266.345 -0.134 20 0 CBADLP CC[C@H]([NH2+][C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1)C(N)=O ZINC001001052898 656792162 /nfs/dbraw/zinc/79/21/62/656792162.db2.gz PVSZUHKUJZYLRE-RYUDHWBXSA-N 2 2 293.371 -0.272 20 0 CBADLP C[C@@H](O)C[NH2+][C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001001053466 656793251 /nfs/dbraw/zinc/79/32/51/656793251.db2.gz XYEOPQSLIVEULU-VXGBXAGGSA-N 2 2 266.345 -0.156 20 0 CBADLP O=C(CNC(=O)Cn1cc[nH+]c1)NCC[NH+]1CCCCC1 ZINC000909315448 656805860 /nfs/dbraw/zinc/80/58/60/656805860.db2.gz PQOFXEJBLVHBLY-UHFFFAOYSA-N 2 2 293.371 -0.399 20 0 CBADLP Cn1c[nH+]c(CCNC(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)c1 ZINC000909856038 656833215 /nfs/dbraw/zinc/83/32/15/656833215.db2.gz JTESPNAQFVBCON-YPMHNXCESA-N 2 2 266.345 -0.466 20 0 CBADLP Cn1c[nH+]c(CCNC(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)c1 ZINC000909856038 656833217 /nfs/dbraw/zinc/83/32/17/656833217.db2.gz JTESPNAQFVBCON-YPMHNXCESA-N 2 2 266.345 -0.466 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N(C)C1CC[NH+](CC(N)=O)CC1 ZINC001005715135 656922089 /nfs/dbraw/zinc/92/20/89/656922089.db2.gz XHUCTWYXVWTBRC-UHFFFAOYSA-N 2 2 293.371 -0.400 20 0 CBADLP CN(C(=O)Cn1cc[nH+]c1)C1CC[NH+](CCO)CC1 ZINC001006475793 656947237 /nfs/dbraw/zinc/94/72/37/656947237.db2.gz PPRXKMFGEREYIR-UHFFFAOYSA-N 2 2 266.345 -0.202 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000911231186 656990316 /nfs/dbraw/zinc/99/03/16/656990316.db2.gz XMZHDZZTBIZVDN-OUAUKWLOSA-N 2 2 279.344 -0.807 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000911228482 656990415 /nfs/dbraw/zinc/99/04/15/656990415.db2.gz GINPORRFJUTRHV-WISYIIOYSA-N 2 2 291.355 -0.603 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC000911230729 656991688 /nfs/dbraw/zinc/99/16/88/656991688.db2.gz UWHUXMCBHSGOHT-RYUDHWBXSA-N 2 2 293.371 -0.415 20 0 CBADLP O=C(NCCCn1cc[nH+]c1)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911247330 656998215 /nfs/dbraw/zinc/99/82/15/656998215.db2.gz PCJXIPCCVRVTFK-QJPTWQEYSA-N 2 2 291.355 -0.602 20 0 CBADLP CC1(C)CN(C(=O)C(=O)NCCCn2cc[nH+]c2)C[C@H]1[NH3+] ZINC000911247698 656998953 /nfs/dbraw/zinc/99/89/53/656998953.db2.gz PQYUJPAEWGHOHU-LLVKDONJSA-N 2 2 293.371 -0.415 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001007943080 657027845 /nfs/dbraw/zinc/02/78/45/657027845.db2.gz HKAGGERWIWXYJR-NEPJUHHUSA-N 2 2 293.371 -0.354 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[N@H+]([C@H](C)C(N)=O)C1 ZINC001007943080 657027849 /nfs/dbraw/zinc/02/78/49/657027849.db2.gz HKAGGERWIWXYJR-NEPJUHHUSA-N 2 2 293.371 -0.354 20 0 CBADLP [NH3+][C@@H]1CC[C@H](CNC(=O)C(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC000911488886 657055796 /nfs/dbraw/zinc/05/57/96/657055796.db2.gz JXUSNFSILAVQKY-NWDGAFQWSA-N 2 2 294.399 -0.463 20 0 CBADLP C[NH+]1CCC(CC(=O)N[C@H]2CCC[N@H+](CC(N)=O)C2)CC1 ZINC001008761194 657056755 /nfs/dbraw/zinc/05/67/55/657056755.db2.gz OTOWDLPZZUBFDQ-ZDUSSCGKSA-N 2 2 296.415 -0.216 20 0 CBADLP C[NH+]1CCC(CC(=O)N[C@H]2CCC[N@@H+](CC(N)=O)C2)CC1 ZINC001008761194 657056760 /nfs/dbraw/zinc/05/67/60/657056760.db2.gz OTOWDLPZZUBFDQ-ZDUSSCGKSA-N 2 2 296.415 -0.216 20 0 CBADLP CC1(C)C[NH2+]C[C@H]1NC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000911527459 657067304 /nfs/dbraw/zinc/06/73/04/657067304.db2.gz FUTXFDYUSRRBJO-GFCCVEGCSA-N 2 2 294.399 -0.593 20 0 CBADLP C[C@H](O)C[N@@H+]1CCC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001009205590 657068527 /nfs/dbraw/zinc/06/85/27/657068527.db2.gz BFARKQIEFGDXHG-NWDGAFQWSA-N 2 2 280.372 -0.076 20 0 CBADLP C[C@H](O)C[N@H+]1CCC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001009205590 657068530 /nfs/dbraw/zinc/06/85/30/657068530.db2.gz BFARKQIEFGDXHG-NWDGAFQWSA-N 2 2 280.372 -0.076 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCC[N@H+](CCO)C1 ZINC001009348734 657072387 /nfs/dbraw/zinc/07/23/87/657072387.db2.gz XGTYTWKISQLRDB-LLVKDONJSA-N 2 2 266.345 -0.166 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCC[N@@H+](CCO)C1 ZINC001009348734 657072395 /nfs/dbraw/zinc/07/23/95/657072395.db2.gz XGTYTWKISQLRDB-LLVKDONJSA-N 2 2 266.345 -0.166 20 0 CBADLP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC000911543260 657073527 /nfs/dbraw/zinc/07/35/27/657073527.db2.gz AKUZCQAVLQUDGN-SNVBAGLBSA-N 2 2 279.344 -0.469 20 0 CBADLP CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001009517822 657076417 /nfs/dbraw/zinc/07/64/17/657076417.db2.gz OYCXNDZHIKUPPG-LBPRGKRZSA-N 2 2 282.388 -0.591 20 0 CBADLP CNC(=O)C[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001009517822 657076422 /nfs/dbraw/zinc/07/64/22/657076422.db2.gz OYCXNDZHIKUPPG-LBPRGKRZSA-N 2 2 282.388 -0.591 20 0 CBADLP CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001009511413 657077090 /nfs/dbraw/zinc/07/70/90/657077090.db2.gz WKVAPJOUCBKVHW-NWDGAFQWSA-N 2 2 282.388 -0.735 20 0 CBADLP CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001009511413 657077093 /nfs/dbraw/zinc/07/70/93/657077093.db2.gz WKVAPJOUCBKVHW-NWDGAFQWSA-N 2 2 282.388 -0.735 20 0 CBADLP CNC(=O)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001009511413 657077103 /nfs/dbraw/zinc/07/71/03/657077103.db2.gz WKVAPJOUCBKVHW-NWDGAFQWSA-N 2 2 282.388 -0.735 20 0 CBADLP CNC(=O)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001009511413 657077110 /nfs/dbraw/zinc/07/71/10/657077110.db2.gz WKVAPJOUCBKVHW-NWDGAFQWSA-N 2 2 282.388 -0.735 20 0 CBADLP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCC[NH+](CC(N)=O)C2)C1 ZINC001009513499 657077268 /nfs/dbraw/zinc/07/72/68/657077268.db2.gz GRUVTPJOFVHAGX-QWRGUYRKSA-N 2 2 268.361 -0.996 20 0 CBADLP C[N@H+]1CC[C@H](C(=O)N[C@H]2CCC[NH+](CC(N)=O)C2)C1 ZINC001009513499 657077270 /nfs/dbraw/zinc/07/72/70/657077270.db2.gz GRUVTPJOFVHAGX-QWRGUYRKSA-N 2 2 268.361 -0.996 20 0 CBADLP C[NH+]1CC[C@H](C(=O)N[C@H]2CCC[N@H+](CC(N)=O)C2)C1 ZINC001009513499 657077275 /nfs/dbraw/zinc/07/72/75/657077275.db2.gz GRUVTPJOFVHAGX-QWRGUYRKSA-N 2 2 268.361 -0.996 20 0 CBADLP C[NH+]1CC[C@H](C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)C2)C1 ZINC001009513499 657077278 /nfs/dbraw/zinc/07/72/78/657077278.db2.gz GRUVTPJOFVHAGX-QWRGUYRKSA-N 2 2 268.361 -0.996 20 0 CBADLP CN(C)C(=O)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001009518183 657077761 /nfs/dbraw/zinc/07/77/61/657077761.db2.gz PXJNJKVYUYNDAK-CYBMUJFWSA-N 2 2 296.415 -0.249 20 0 CBADLP CN(C)C(=O)C[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001009518183 657077766 /nfs/dbraw/zinc/07/77/66/657077766.db2.gz PXJNJKVYUYNDAK-CYBMUJFWSA-N 2 2 296.415 -0.249 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CCC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001009524246 657078050 /nfs/dbraw/zinc/07/80/50/657078050.db2.gz NLNODRSOGHKRFD-PWSUYJOCSA-N 2 2 293.371 -0.354 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CCC[N@H+]([C@H](C)C(N)=O)C1 ZINC001009524246 657078055 /nfs/dbraw/zinc/07/80/55/657078055.db2.gz NLNODRSOGHKRFD-PWSUYJOCSA-N 2 2 293.371 -0.354 20 0 CBADLP O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CCC[NH2+]CC1 ZINC000911655803 657097261 /nfs/dbraw/zinc/09/72/61/657097261.db2.gz IQLPVWGFAIWADB-KGLIPLIRSA-N 2 2 297.399 -0.312 20 0 CBADLP C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000911657762 657099127 /nfs/dbraw/zinc/09/91/27/657099127.db2.gz ZDEDVEUKDSAIPH-MJBXVCDLSA-N 2 2 297.399 -0.314 20 0 CBADLP CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001010370368 657163853 /nfs/dbraw/zinc/16/38/53/657163853.db2.gz VYSQSMYAJQHISO-NEPJUHHUSA-N 2 2 282.388 -0.641 20 0 CBADLP CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001010370368 657163856 /nfs/dbraw/zinc/16/38/56/657163856.db2.gz VYSQSMYAJQHISO-NEPJUHHUSA-N 2 2 282.388 -0.641 20 0 CBADLP CN(C)C(=O)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001010370368 657163870 /nfs/dbraw/zinc/16/38/70/657163870.db2.gz VYSQSMYAJQHISO-NEPJUHHUSA-N 2 2 282.388 -0.641 20 0 CBADLP CN(C)C(=O)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001010370368 657163880 /nfs/dbraw/zinc/16/38/80/657163880.db2.gz VYSQSMYAJQHISO-NEPJUHHUSA-N 2 2 282.388 -0.641 20 0 CBADLP O=C(CNc1cccc[nH+]1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000911904949 657164479 /nfs/dbraw/zinc/16/44/79/657164479.db2.gz MSRGZUIDTLODGZ-GFCCVEGCSA-N 2 2 276.340 -0.229 20 0 CBADLP O=C(CNc1cccc[nH+]1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000911904949 657164486 /nfs/dbraw/zinc/16/44/86/657164486.db2.gz MSRGZUIDTLODGZ-GFCCVEGCSA-N 2 2 276.340 -0.229 20 0 CBADLP CN(CC[N@H+](C)CCO)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000912599736 657289621 /nfs/dbraw/zinc/28/96/21/657289621.db2.gz RKROTYQTVYDNML-LBPRGKRZSA-N 2 2 280.372 -0.172 20 0 CBADLP CN(CC[N@@H+](C)CCO)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000912599736 657289628 /nfs/dbraw/zinc/28/96/28/657289628.db2.gz RKROTYQTVYDNML-LBPRGKRZSA-N 2 2 280.372 -0.172 20 0 CBADLP CN(CC[N@H+](C)CCO)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000912598905 657290354 /nfs/dbraw/zinc/29/03/54/657290354.db2.gz JKTWJBALYQBELL-VXGBXAGGSA-N 2 2 280.372 -0.094 20 0 CBADLP CN(CC[N@@H+](C)CCO)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000912598905 657290360 /nfs/dbraw/zinc/29/03/60/657290360.db2.gz JKTWJBALYQBELL-VXGBXAGGSA-N 2 2 280.372 -0.094 20 0 CBADLP C/C(=C/C(=O)N(C)CC[N@H+](C)CCO)C[NH+]1CCOCC1 ZINC000912600519 657292457 /nfs/dbraw/zinc/29/24/57/657292457.db2.gz VVQBAGCPMWQYGS-OWBHPGMISA-N 2 2 299.415 -0.353 20 0 CBADLP C/C(=C/C(=O)N(C)CC[N@@H+](C)CCO)C[NH+]1CCOCC1 ZINC000912600519 657292458 /nfs/dbraw/zinc/29/24/58/657292458.db2.gz VVQBAGCPMWQYGS-OWBHPGMISA-N 2 2 299.415 -0.353 20 0 CBADLP CN(CC[N@H+](C)CCO)C(=O)Cc1c[nH+]cn1C ZINC000912605287 657293429 /nfs/dbraw/zinc/29/34/29/657293429.db2.gz MCLVNPDPHHTISL-UHFFFAOYSA-N 2 2 254.334 -0.655 20 0 CBADLP CN(CC[N@@H+](C)CCO)C(=O)Cc1c[nH+]cn1C ZINC000912605287 657293433 /nfs/dbraw/zinc/29/34/33/657293433.db2.gz MCLVNPDPHHTISL-UHFFFAOYSA-N 2 2 254.334 -0.655 20 0 CBADLP CN(CC[N@H+](C)CCO)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000912607141 657296923 /nfs/dbraw/zinc/29/69/23/657296923.db2.gz CFPVFOCTCIQURT-GFCCVEGCSA-N 2 2 280.372 -0.172 20 0 CBADLP CN(CC[N@@H+](C)CCO)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000912607141 657296925 /nfs/dbraw/zinc/29/69/25/657296925.db2.gz CFPVFOCTCIQURT-GFCCVEGCSA-N 2 2 280.372 -0.172 20 0 CBADLP C[N@@H+]1CCN(C(=O)C2C[NH+](C3CCOCC3)C2)[C@H](CO)C1 ZINC000912734122 657317845 /nfs/dbraw/zinc/31/78/45/657317845.db2.gz DQONFTKBJDTJMX-AWEZNQCLSA-N 2 2 297.399 -0.768 20 0 CBADLP C[N@H+]1CCN(C(=O)C2C[NH+](C3CCOCC3)C2)[C@H](CO)C1 ZINC000912734122 657317853 /nfs/dbraw/zinc/31/78/53/657317853.db2.gz DQONFTKBJDTJMX-AWEZNQCLSA-N 2 2 297.399 -0.768 20 0 CBADLP Cc1[nH+]cc2n1C[C@H](C(=O)N1CC[N@@H+](C)C[C@H]1CO)CC2 ZINC000912738813 657327088 /nfs/dbraw/zinc/32/70/88/657327088.db2.gz JVAJDQGXYZGQIV-OCCSQVGLSA-N 2 2 292.383 -0.111 20 0 CBADLP Cc1[nH+]cc2n1C[C@H](C(=O)N1CC[N@H+](C)C[C@H]1CO)CC2 ZINC000912738813 657327094 /nfs/dbraw/zinc/32/70/94/657327094.db2.gz JVAJDQGXYZGQIV-OCCSQVGLSA-N 2 2 292.383 -0.111 20 0 CBADLP C[N@H+](CC(=O)N1CC[NH+](C)C[C@H]1CO)[C@@H]1CCSC1 ZINC000912741329 657333514 /nfs/dbraw/zinc/33/35/14/657333514.db2.gz SFNDUTGWLSRHHZ-NEPJUHHUSA-N 2 2 287.429 -0.441 20 0 CBADLP C[N@@H+](CC(=O)N1CC[NH+](C)C[C@H]1CO)[C@@H]1CCSC1 ZINC000912741329 657333518 /nfs/dbraw/zinc/33/35/18/657333518.db2.gz SFNDUTGWLSRHHZ-NEPJUHHUSA-N 2 2 287.429 -0.441 20 0 CBADLP C[NH+](CC(=O)N1CC[N@H+](C)C[C@H]1CO)[C@@H]1CCSC1 ZINC000912741329 657333525 /nfs/dbraw/zinc/33/35/25/657333525.db2.gz SFNDUTGWLSRHHZ-NEPJUHHUSA-N 2 2 287.429 -0.441 20 0 CBADLP C[NH+](CC(=O)N1CC[N@@H+](C)C[C@H]1CO)[C@@H]1CCSC1 ZINC000912741329 657333527 /nfs/dbraw/zinc/33/35/27/657333527.db2.gz SFNDUTGWLSRHHZ-NEPJUHHUSA-N 2 2 287.429 -0.441 20 0 CBADLP C[NH+]1CCCC[C@H]1C(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000912742788 657333983 /nfs/dbraw/zinc/33/39/83/657333983.db2.gz IICZSFMTGZMNNT-RYUDHWBXSA-N 2 2 255.362 -0.394 20 0 CBADLP C[NH+]1CCCC[C@H]1C(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000912742788 657333984 /nfs/dbraw/zinc/33/39/84/657333984.db2.gz IICZSFMTGZMNNT-RYUDHWBXSA-N 2 2 255.362 -0.394 20 0 CBADLP C[NH+]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)[C@H](CO)C1 ZINC000912742788 657333989 /nfs/dbraw/zinc/33/39/89/657333989.db2.gz IICZSFMTGZMNNT-RYUDHWBXSA-N 2 2 255.362 -0.394 20 0 CBADLP C[NH+]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)[C@H](CO)C1 ZINC000912742788 657333992 /nfs/dbraw/zinc/33/39/92/657333992.db2.gz IICZSFMTGZMNNT-RYUDHWBXSA-N 2 2 255.362 -0.394 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](CC(N)=O)C2)CC[N@@H+]1C ZINC001014506055 657364345 /nfs/dbraw/zinc/36/43/45/657364345.db2.gz DQEPWTMAPHZJQU-SDDRHHMPSA-N 2 2 282.388 -0.608 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](CC(N)=O)C2)CC[N@H+]1C ZINC001014506055 657364349 /nfs/dbraw/zinc/36/43/49/657364349.db2.gz DQEPWTMAPHZJQU-SDDRHHMPSA-N 2 2 282.388 -0.608 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)CC[NH+]1C ZINC001014506055 657364353 /nfs/dbraw/zinc/36/43/53/657364353.db2.gz DQEPWTMAPHZJQU-SDDRHHMPSA-N 2 2 282.388 -0.608 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)CC[NH+]1C ZINC001014506055 657364358 /nfs/dbraw/zinc/36/43/58/657364358.db2.gz DQEPWTMAPHZJQU-SDDRHHMPSA-N 2 2 282.388 -0.608 20 0 CBADLP CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001014964193 657393320 /nfs/dbraw/zinc/39/33/20/657393320.db2.gz QGBUFFTVWVRMNX-OLZOCXBDSA-N 2 2 296.415 -0.251 20 0 CBADLP CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001014964193 657393321 /nfs/dbraw/zinc/39/33/21/657393321.db2.gz QGBUFFTVWVRMNX-OLZOCXBDSA-N 2 2 296.415 -0.251 20 0 CBADLP CN(C)C(=O)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001014964193 657393330 /nfs/dbraw/zinc/39/33/30/657393330.db2.gz QGBUFFTVWVRMNX-OLZOCXBDSA-N 2 2 296.415 -0.251 20 0 CBADLP CN(C)C(=O)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001014964193 657393336 /nfs/dbraw/zinc/39/33/36/657393336.db2.gz QGBUFFTVWVRMNX-OLZOCXBDSA-N 2 2 296.415 -0.251 20 0 CBADLP O=C(N[C@H]1CC[N@@H+](CCO)C1)[C@H]1CCc2[nH+]ccn2C1 ZINC001014999556 657395878 /nfs/dbraw/zinc/39/58/78/657395878.db2.gz JSDVTLXMRLQWOJ-RYUDHWBXSA-N 2 2 278.356 -0.372 20 0 CBADLP O=C(N[C@H]1CC[N@H+](CCO)C1)[C@H]1CCc2[nH+]ccn2C1 ZINC001014999556 657395883 /nfs/dbraw/zinc/39/58/83/657395883.db2.gz JSDVTLXMRLQWOJ-RYUDHWBXSA-N 2 2 278.356 -0.372 20 0 CBADLP O=C(N[C@@H]1CC[N@@H+](CCO)C1)[C@H]1CCc2[nH+]ccn2C1 ZINC001014999555 657396181 /nfs/dbraw/zinc/39/61/81/657396181.db2.gz JSDVTLXMRLQWOJ-NWDGAFQWSA-N 2 2 278.356 -0.372 20 0 CBADLP O=C(N[C@@H]1CC[N@H+](CCO)C1)[C@H]1CCc2[nH+]ccn2C1 ZINC001014999555 657396191 /nfs/dbraw/zinc/39/61/91/657396191.db2.gz JSDVTLXMRLQWOJ-NWDGAFQWSA-N 2 2 278.356 -0.372 20 0 CBADLP CC(C)(C)[N@@H+]1CC[C@H]1C(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC000913183704 657404566 /nfs/dbraw/zinc/40/45/66/657404566.db2.gz KAHVVFKVWSLKED-SMDDNHRTSA-N 2 2 285.388 -0.674 20 0 CBADLP CC(C)(C)[N@H+]1CC[C@H]1C(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC000913183704 657404571 /nfs/dbraw/zinc/40/45/71/657404571.db2.gz KAHVVFKVWSLKED-SMDDNHRTSA-N 2 2 285.388 -0.674 20 0 CBADLP NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001015292074 657429345 /nfs/dbraw/zinc/42/93/45/657429345.db2.gz YBBWRMMLTPKOAO-NSHDSACASA-N 2 2 287.323 -0.376 20 0 CBADLP NC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001015292074 657429351 /nfs/dbraw/zinc/42/93/51/657429351.db2.gz YBBWRMMLTPKOAO-NSHDSACASA-N 2 2 287.323 -0.376 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001015497115 657447236 /nfs/dbraw/zinc/44/72/36/657447236.db2.gz AIGIHGSTZRGRCI-RYUDHWBXSA-N 2 2 296.415 -0.075 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001015497115 657447248 /nfs/dbraw/zinc/44/72/48/657447248.db2.gz AIGIHGSTZRGRCI-RYUDHWBXSA-N 2 2 296.415 -0.075 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001015497114 657448372 /nfs/dbraw/zinc/44/83/72/657448372.db2.gz AIGIHGSTZRGRCI-NWDGAFQWSA-N 2 2 296.415 -0.075 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001015497114 657448381 /nfs/dbraw/zinc/44/83/81/657448381.db2.gz AIGIHGSTZRGRCI-NWDGAFQWSA-N 2 2 296.415 -0.075 20 0 CBADLP Cn1cc([C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)CC[NH2+]2)cn1 ZINC000913460634 657459382 /nfs/dbraw/zinc/45/93/82/657459382.db2.gz LSISUOPPYIWMEZ-DGCLKSJQSA-N 2 2 277.372 -0.155 20 0 CBADLP Cn1cc([C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC[NH2+]2)cn1 ZINC000913460634 657459388 /nfs/dbraw/zinc/45/93/88/657459388.db2.gz LSISUOPPYIWMEZ-DGCLKSJQSA-N 2 2 277.372 -0.155 20 0 CBADLP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001015596255 657471025 /nfs/dbraw/zinc/47/10/25/657471025.db2.gz ABXOKFVDTQJMFN-OLZOCXBDSA-N 2 2 296.415 -0.216 20 0 CBADLP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001015596255 657471041 /nfs/dbraw/zinc/47/10/41/657471041.db2.gz ABXOKFVDTQJMFN-OLZOCXBDSA-N 2 2 296.415 -0.216 20 0 CBADLP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)C1 ZINC001015596255 657471054 /nfs/dbraw/zinc/47/10/54/657471054.db2.gz ABXOKFVDTQJMFN-OLZOCXBDSA-N 2 2 296.415 -0.216 20 0 CBADLP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)C1 ZINC001015596255 657471066 /nfs/dbraw/zinc/47/10/66/657471066.db2.gz ABXOKFVDTQJMFN-OLZOCXBDSA-N 2 2 296.415 -0.216 20 0 CBADLP C[N@H+](CC(=O)N1CC[NH+](C)[C@@H](CO)C1)C1CCC1 ZINC000913541478 657504212 /nfs/dbraw/zinc/50/42/12/657504212.db2.gz NIPNSNPPLAISIM-GFCCVEGCSA-N 2 2 255.362 -0.394 20 0 CBADLP C[N@@H+](CC(=O)N1CC[NH+](C)[C@@H](CO)C1)C1CCC1 ZINC000913541478 657504224 /nfs/dbraw/zinc/50/42/24/657504224.db2.gz NIPNSNPPLAISIM-GFCCVEGCSA-N 2 2 255.362 -0.394 20 0 CBADLP C[NH+](CC(=O)N1CC[N@H+](C)[C@@H](CO)C1)C1CCC1 ZINC000913541478 657504234 /nfs/dbraw/zinc/50/42/34/657504234.db2.gz NIPNSNPPLAISIM-GFCCVEGCSA-N 2 2 255.362 -0.394 20 0 CBADLP C[NH+](CC(=O)N1CC[N@@H+](C)[C@@H](CO)C1)C1CCC1 ZINC000913541478 657504243 /nfs/dbraw/zinc/50/42/43/657504243.db2.gz NIPNSNPPLAISIM-GFCCVEGCSA-N 2 2 255.362 -0.394 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001015701503 657520192 /nfs/dbraw/zinc/52/01/92/657520192.db2.gz GGSLENWQIYCLBH-RYUDHWBXSA-N 2 2 282.388 -0.593 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001015701503 657520206 /nfs/dbraw/zinc/52/02/06/657520206.db2.gz GGSLENWQIYCLBH-RYUDHWBXSA-N 2 2 282.388 -0.593 20 0 CBADLP CNC(=O)C[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001015701503 657520216 /nfs/dbraw/zinc/52/02/16/657520216.db2.gz GGSLENWQIYCLBH-RYUDHWBXSA-N 2 2 282.388 -0.593 20 0 CBADLP CNC(=O)C[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001015701503 657520224 /nfs/dbraw/zinc/52/02/24/657520224.db2.gz GGSLENWQIYCLBH-RYUDHWBXSA-N 2 2 282.388 -0.593 20 0 CBADLP C[C@H]1C[C@@H](C(=O)N2CC[NH+](C)[C@H](CO)C2)CC[N@@H+]1C ZINC000913545135 657521204 /nfs/dbraw/zinc/52/12/04/657521204.db2.gz VFERHQJQVGATQD-AVGNSLFASA-N 2 2 269.389 -0.148 20 0 CBADLP C[C@H]1C[C@@H](C(=O)N2CC[NH+](C)[C@H](CO)C2)CC[N@H+]1C ZINC000913545135 657521208 /nfs/dbraw/zinc/52/12/08/657521208.db2.gz VFERHQJQVGATQD-AVGNSLFASA-N 2 2 269.389 -0.148 20 0 CBADLP C[C@H]1C[C@@H](C(=O)N2CC[N@H+](C)[C@H](CO)C2)CC[NH+]1C ZINC000913545135 657521214 /nfs/dbraw/zinc/52/12/14/657521214.db2.gz VFERHQJQVGATQD-AVGNSLFASA-N 2 2 269.389 -0.148 20 0 CBADLP C[C@H]1C[C@@H](C(=O)N2CC[N@@H+](C)[C@H](CO)C2)CC[NH+]1C ZINC000913545135 657521218 /nfs/dbraw/zinc/52/12/18/657521218.db2.gz VFERHQJQVGATQD-AVGNSLFASA-N 2 2 269.389 -0.148 20 0 CBADLP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CC[NH+](CC(=O)N(C)C)C1 ZINC001015702734 657521399 /nfs/dbraw/zinc/52/13/99/657521399.db2.gz SMLPYQGBTLCDED-CHWSQXEVSA-N 2 2 296.415 -0.251 20 0 CBADLP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CC[NH+](CC(=O)N(C)C)C1 ZINC001015702734 657521402 /nfs/dbraw/zinc/52/14/02/657521402.db2.gz SMLPYQGBTLCDED-CHWSQXEVSA-N 2 2 296.415 -0.251 20 0 CBADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)C)C1 ZINC001015702734 657521403 /nfs/dbraw/zinc/52/14/03/657521403.db2.gz SMLPYQGBTLCDED-CHWSQXEVSA-N 2 2 296.415 -0.251 20 0 CBADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)C)C1 ZINC001015702734 657521408 /nfs/dbraw/zinc/52/14/08/657521408.db2.gz SMLPYQGBTLCDED-CHWSQXEVSA-N 2 2 296.415 -0.251 20 0 CBADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CC[NH+](CC(=O)N(C)C)C2)C1 ZINC001015705937 657523765 /nfs/dbraw/zinc/52/37/65/657523765.db2.gz QSGGJNAGBHRQPQ-CHWSQXEVSA-N 2 2 296.415 -0.393 20 0 CBADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CC[NH+](CC(=O)N(C)C)C2)C1 ZINC001015705937 657523769 /nfs/dbraw/zinc/52/37/69/657523769.db2.gz QSGGJNAGBHRQPQ-CHWSQXEVSA-N 2 2 296.415 -0.393 20 0 CBADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CC[N@H+](CC(=O)N(C)C)C2)C1 ZINC001015705937 657523771 /nfs/dbraw/zinc/52/37/71/657523771.db2.gz QSGGJNAGBHRQPQ-CHWSQXEVSA-N 2 2 296.415 -0.393 20 0 CBADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CC[N@@H+](CC(=O)N(C)C)C2)C1 ZINC001015705937 657523780 /nfs/dbraw/zinc/52/37/80/657523780.db2.gz QSGGJNAGBHRQPQ-CHWSQXEVSA-N 2 2 296.415 -0.393 20 0 CBADLP CCC[C@@H](C(=O)N1CC[N@H+](C)[C@@H](CO)C1)[NH+](C)C ZINC000913547620 657528486 /nfs/dbraw/zinc/52/84/86/657528486.db2.gz SHCBDMZJJQBIIH-NEPJUHHUSA-N 2 2 257.378 -0.148 20 0 CBADLP CCC[C@@H](C(=O)N1CC[N@@H+](C)[C@@H](CO)C1)[NH+](C)C ZINC000913547620 657528494 /nfs/dbraw/zinc/52/84/94/657528494.db2.gz SHCBDMZJJQBIIH-NEPJUHHUSA-N 2 2 257.378 -0.148 20 0 CBADLP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C)[C@@H](CO)C1 ZINC000913551685 657540088 /nfs/dbraw/zinc/54/00/88/657540088.db2.gz WMPYNCZVSCCCAR-OLZOCXBDSA-N 2 2 269.389 -0.004 20 0 CBADLP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C)[C@@H](CO)C1 ZINC000913551685 657540098 /nfs/dbraw/zinc/54/00/98/657540098.db2.gz WMPYNCZVSCCCAR-OLZOCXBDSA-N 2 2 269.389 -0.004 20 0 CBADLP CCC[NH+]1CCC[C@H]1C(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000913551685 657540113 /nfs/dbraw/zinc/54/01/13/657540113.db2.gz WMPYNCZVSCCCAR-OLZOCXBDSA-N 2 2 269.389 -0.004 20 0 CBADLP CCC[NH+]1CCC[C@H]1C(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000913551685 657540120 /nfs/dbraw/zinc/54/01/20/657540120.db2.gz WMPYNCZVSCCCAR-OLZOCXBDSA-N 2 2 269.389 -0.004 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001016003577 657627802 /nfs/dbraw/zinc/62/78/02/657627802.db2.gz KJJKPYILZBAUPS-GHMZBOCLSA-N 2 2 280.372 -0.854 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001016003577 657627804 /nfs/dbraw/zinc/62/78/04/657627804.db2.gz KJJKPYILZBAUPS-GHMZBOCLSA-N 2 2 280.372 -0.854 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@H+](CCO)C1 ZINC001016113075 657642713 /nfs/dbraw/zinc/64/27/13/657642713.db2.gz HHUSATZMWNGKAF-JTQLQIEISA-N 2 2 252.318 -0.557 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@@H+](CCO)C1 ZINC001016113075 657642721 /nfs/dbraw/zinc/64/27/21/657642721.db2.gz HHUSATZMWNGKAF-JTQLQIEISA-N 2 2 252.318 -0.557 20 0 CBADLP O=C(C[NH+]1CCCC1)N[C@H]1CC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC001016251725 657670610 /nfs/dbraw/zinc/67/06/10/657670610.db2.gz NKGUWINJSYTLSY-STQMWFEESA-N 2 2 294.399 -0.449 20 0 CBADLP O=C(C[NH+]1CCCC1)N[C@H]1CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC001016251725 657670617 /nfs/dbraw/zinc/67/06/17/657670617.db2.gz NKGUWINJSYTLSY-STQMWFEESA-N 2 2 294.399 -0.449 20 0 CBADLP CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001016250461 657671031 /nfs/dbraw/zinc/67/10/31/657671031.db2.gz CEJXWHWMAPCIPD-GFCCVEGCSA-N 2 2 282.388 -0.639 20 0 CBADLP CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001016250461 657671046 /nfs/dbraw/zinc/67/10/46/657671046.db2.gz CEJXWHWMAPCIPD-GFCCVEGCSA-N 2 2 282.388 -0.639 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001016250708 657672376 /nfs/dbraw/zinc/67/23/76/657672376.db2.gz FPILYEFTXFJWFL-VXGBXAGGSA-N 2 2 282.388 -0.463 20 0 CBADLP CC[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001016250708 657672382 /nfs/dbraw/zinc/67/23/82/657672382.db2.gz FPILYEFTXFJWFL-VXGBXAGGSA-N 2 2 282.388 -0.463 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001016261310 657675813 /nfs/dbraw/zinc/67/58/13/657675813.db2.gz XMUOAVADTZZHHE-VXGBXAGGSA-N 2 2 291.355 -0.729 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001016261310 657675825 /nfs/dbraw/zinc/67/58/25/657675825.db2.gz XMUOAVADTZZHHE-VXGBXAGGSA-N 2 2 291.355 -0.729 20 0 CBADLP CN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)C2)C1=O ZINC001016258462 657676282 /nfs/dbraw/zinc/67/62/82/657676282.db2.gz BUEWUEJKPARETE-QWHCGFSZSA-N 2 2 294.399 -0.497 20 0 CBADLP CN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)C2)C1=O ZINC001016258462 657676289 /nfs/dbraw/zinc/67/62/89/657676289.db2.gz BUEWUEJKPARETE-QWHCGFSZSA-N 2 2 294.399 -0.497 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC001016397327 657696577 /nfs/dbraw/zinc/69/65/77/657696577.db2.gz JRUYWZWRFDWALM-VXGBXAGGSA-N 2 2 291.355 -0.648 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001016397327 657696583 /nfs/dbraw/zinc/69/65/83/657696583.db2.gz JRUYWZWRFDWALM-VXGBXAGGSA-N 2 2 291.355 -0.648 20 0 CBADLP C[C@H](CNC(=S)NCC[NH+](C)C)[NH+]1CCOCC1 ZINC000914705398 657719037 /nfs/dbraw/zinc/71/90/37/657719037.db2.gz VTZIUGZFCKXIBP-LLVKDONJSA-N 2 2 274.434 -0.267 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=S)NCC[NH+](C)C ZINC000916004670 657757503 /nfs/dbraw/zinc/75/75/03/657757503.db2.gz RFKITUOUZORNIC-NSHDSACASA-N 2 2 274.434 -0.267 20 0 CBADLP C[C@@H]1[C@H](NC(=O)NC[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1C ZINC000916882180 657790129 /nfs/dbraw/zinc/79/01/29/657790129.db2.gz FQDBGFNWKXLQII-IJLUTSLNSA-N 2 2 270.377 -0.291 20 0 CBADLP C[C@@H]1[C@H](NC(=O)NC[C@@H]2C[NH+](C)CCO2)CC[N@H+]1C ZINC000916882180 657790136 /nfs/dbraw/zinc/79/01/36/657790136.db2.gz FQDBGFNWKXLQII-IJLUTSLNSA-N 2 2 270.377 -0.291 20 0 CBADLP C[C@@H]1[C@H](NC(=O)NC[C@@H]2C[N@H+](C)CCO2)CC[NH+]1C ZINC000916882180 657790145 /nfs/dbraw/zinc/79/01/45/657790145.db2.gz FQDBGFNWKXLQII-IJLUTSLNSA-N 2 2 270.377 -0.291 20 0 CBADLP C[C@@H]1[C@H](NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1C ZINC000916882180 657790153 /nfs/dbraw/zinc/79/01/53/657790153.db2.gz FQDBGFNWKXLQII-IJLUTSLNSA-N 2 2 270.377 -0.291 20 0 CBADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@H]1CC[N@@H+]1C ZINC000917224743 657802729 /nfs/dbraw/zinc/80/27/29/657802729.db2.gz UKQABGPFXFZZPW-CHWSQXEVSA-N 2 2 283.420 -0.374 20 0 CBADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@H]1CC[N@H+]1C ZINC000917224743 657802741 /nfs/dbraw/zinc/80/27/41/657802741.db2.gz UKQABGPFXFZZPW-CHWSQXEVSA-N 2 2 283.420 -0.374 20 0 CBADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NC[C@H]1CC[N@H+]1C ZINC000917224743 657802751 /nfs/dbraw/zinc/80/27/51/657802751.db2.gz UKQABGPFXFZZPW-CHWSQXEVSA-N 2 2 283.420 -0.374 20 0 CBADLP CC[N@@H+]1CCO[C@@H](CNC(=O)NC[C@@H]2CC[NH+]2C)C1 ZINC000919128297 657844528 /nfs/dbraw/zinc/84/45/28/657844528.db2.gz WAWNUXOQHNKLFV-RYUDHWBXSA-N 2 2 270.377 -0.290 20 0 CBADLP CC[N@H+]1CCO[C@@H](CNC(=O)NC[C@@H]2CC[NH+]2C)C1 ZINC000919128297 657844529 /nfs/dbraw/zinc/84/45/29/657844529.db2.gz WAWNUXOQHNKLFV-RYUDHWBXSA-N 2 2 270.377 -0.290 20 0 CBADLP CC[NH+]1CCO[C@@H](CNC(=O)NC[C@@H]2CC[N@@H+]2C)C1 ZINC000919128297 657844530 /nfs/dbraw/zinc/84/45/30/657844530.db2.gz WAWNUXOQHNKLFV-RYUDHWBXSA-N 2 2 270.377 -0.290 20 0 CBADLP CC[NH+]1CCO[C@@H](CNC(=O)NC[C@@H]2CC[N@H+]2C)C1 ZINC000919128297 657844531 /nfs/dbraw/zinc/84/45/31/657844531.db2.gz WAWNUXOQHNKLFV-RYUDHWBXSA-N 2 2 270.377 -0.290 20 0 CBADLP CC[N@@H+]1CCO[C@H](CNC(=O)NC[C@@H]2CC[NH+]2C)C1 ZINC000919128296 657844727 /nfs/dbraw/zinc/84/47/27/657844727.db2.gz WAWNUXOQHNKLFV-NWDGAFQWSA-N 2 2 270.377 -0.290 20 0 CBADLP CC[N@H+]1CCO[C@H](CNC(=O)NC[C@@H]2CC[NH+]2C)C1 ZINC000919128296 657844731 /nfs/dbraw/zinc/84/47/31/657844731.db2.gz WAWNUXOQHNKLFV-NWDGAFQWSA-N 2 2 270.377 -0.290 20 0 CBADLP CC[NH+]1CCO[C@H](CNC(=O)NC[C@@H]2CC[N@@H+]2C)C1 ZINC000919128296 657844733 /nfs/dbraw/zinc/84/47/33/657844733.db2.gz WAWNUXOQHNKLFV-NWDGAFQWSA-N 2 2 270.377 -0.290 20 0 CBADLP CC[NH+]1CCO[C@H](CNC(=O)NC[C@@H]2CC[N@H+]2C)C1 ZINC000919128296 657844735 /nfs/dbraw/zinc/84/47/35/657844735.db2.gz WAWNUXOQHNKLFV-NWDGAFQWSA-N 2 2 270.377 -0.290 20 0 CBADLP NC(=O)C[NH2+][C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001019040343 657860182 /nfs/dbraw/zinc/86/01/82/657860182.db2.gz WOSHAONAIMNWDE-JTQLQIEISA-N 2 2 287.323 -0.148 20 0 CBADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CC[C@H]([NH2+]CCO)C1 ZINC001019060774 657860870 /nfs/dbraw/zinc/86/08/70/657860870.db2.gz GDVZEUCPZQHRHK-NEPJUHHUSA-N 2 2 278.356 -0.372 20 0 CBADLP NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001019061325 657861636 /nfs/dbraw/zinc/86/16/36/657861636.db2.gz YSHSBMQWMKQEDS-MNOVXSKESA-N 2 2 291.355 -0.879 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H]([NH2+]Cc2cnon2)C1 ZINC001019154016 657866617 /nfs/dbraw/zinc/86/66/17/657866617.db2.gz WGUZINRCYNOZTP-NSHDSACASA-N 2 2 290.327 -0.035 20 0 CBADLP CC[C@H]([NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1)C(N)=O ZINC001019214166 657871706 /nfs/dbraw/zinc/87/17/06/657871706.db2.gz NJEQEUGQZBDIJA-RYUDHWBXSA-N 2 2 293.371 -0.272 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001019437359 657895242 /nfs/dbraw/zinc/89/52/42/657895242.db2.gz KMQPJVGTSHUGNI-GXSJLCMTSA-N 2 2 277.328 -0.969 20 0 CBADLP Cn1nc2c(c1C[NH2+]CC(=O)N1CC[NH+](C)CC1)CCC2 ZINC000921610801 657922219 /nfs/dbraw/zinc/92/22/19/657922219.db2.gz YNOXMKRETDTBMN-UHFFFAOYSA-N 2 2 291.399 -0.228 20 0 CBADLP C[C@@H]([NH2+][C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1)C(N)=O ZINC001019721299 657933375 /nfs/dbraw/zinc/93/33/75/657933375.db2.gz KHKFUWUKQHZYGO-MNOVXSKESA-N 2 2 293.371 -0.583 20 0 CBADLP O=C(C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1)N1CCC1 ZINC001019869192 657953403 /nfs/dbraw/zinc/95/34/03/657953403.db2.gz UAAOGJCHIBHKGL-LBPRGKRZSA-N 2 2 291.355 -0.694 20 0 CBADLP CC[C@@H]([NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1)C(N)=O ZINC001019867621 657954097 /nfs/dbraw/zinc/95/40/97/657954097.db2.gz BECUOOLBADXILV-WDEREUQCSA-N 2 2 279.344 -0.663 20 0 CBADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@H]1C[C@H]([NH2+]CCO)C1 ZINC001020179207 658024675 /nfs/dbraw/zinc/02/46/75/658024675.db2.gz SBPGCBMJKQMSMV-HAQNSBGRSA-N 2 2 292.383 -0.009 20 0 CBADLP NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001020296401 658035719 /nfs/dbraw/zinc/03/57/19/658035719.db2.gz PDKVKLDLDFTEIY-MGCOHNPYSA-N 2 2 287.323 -0.101 20 0 CBADLP O=C(N[C@H]1C[C@H]([NH2+]CCO)C1)[C@H]1CCc2[nH+]ccn2C1 ZINC001020314863 658036611 /nfs/dbraw/zinc/03/66/11/658036611.db2.gz WUDLTXCZOXYYNC-SRVKXCTJSA-N 2 2 278.356 -0.325 20 0 CBADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCO)C1 ZINC001020432157 658049939 /nfs/dbraw/zinc/04/99/39/658049939.db2.gz DHHKRBOYOJFMBR-MGPQQGTHSA-N 2 2 299.415 -0.284 20 0 CBADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCO)C1 ZINC001020432157 658049952 /nfs/dbraw/zinc/04/99/52/658049952.db2.gz DHHKRBOYOJFMBR-MGPQQGTHSA-N 2 2 299.415 -0.284 20 0 CBADLP Cc1[nH+]cc(C[NH2+]C[C@]2(CO)COCCN2C)n1C ZINC000922533006 658054273 /nfs/dbraw/zinc/05/42/73/658054273.db2.gz JZCCGCZMLYDNAO-ZDUSSCGKSA-N 2 2 268.361 -0.489 20 0 CBADLP CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1)C(N)=O ZINC001020982002 658127889 /nfs/dbraw/zinc/12/78/89/658127889.db2.gz WRHVUQUGOPYNSF-DCAQKATOSA-N 2 2 293.371 -0.239 20 0 CBADLP O[C@H](COC[C@@H]1CCCO1)C[N@@H+]1CCC[NH2+]CC1 ZINC000923278222 658191609 /nfs/dbraw/zinc/19/16/09/658191609.db2.gz RCWWEQAFYGQQCJ-STQMWFEESA-N 2 2 258.362 -0.162 20 0 CBADLP O[C@H](COC[C@@H]1CCCO1)C[N@H+]1CCC[NH2+]CC1 ZINC000923278222 658191624 /nfs/dbraw/zinc/19/16/24/658191624.db2.gz RCWWEQAFYGQQCJ-STQMWFEESA-N 2 2 258.362 -0.162 20 0 CBADLP C[N@H+](CCS(C)(=O)=O)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923302984 658199234 /nfs/dbraw/zinc/19/92/34/658199234.db2.gz GGTBKKFVZITIRT-JTQLQIEISA-N 2 2 262.375 -0.659 20 0 CBADLP C[N@@H+](CCS(C)(=O)=O)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923302984 658199244 /nfs/dbraw/zinc/19/92/44/658199244.db2.gz GGTBKKFVZITIRT-JTQLQIEISA-N 2 2 262.375 -0.659 20 0 CBADLP Cc1cc(CN2CC[NH+]([C@H]3C[C@H]([NH3+])C[C@@H]3O)CC2)no1 ZINC000923317379 658210026 /nfs/dbraw/zinc/21/00/26/658210026.db2.gz FMQJFQCLYNPWML-UBHSHLNASA-N 2 2 280.372 -0.049 20 0 CBADLP O=C1C[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CCN1C1CC1 ZINC000923315298 658210628 /nfs/dbraw/zinc/21/06/28/658210628.db2.gz FYTYMMWDORDOIR-LBPRGKRZSA-N 2 2 265.357 -0.329 20 0 CBADLP O=C1C[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CCN1C1CC1 ZINC000923315298 658210662 /nfs/dbraw/zinc/21/06/62/658210662.db2.gz FYTYMMWDORDOIR-LBPRGKRZSA-N 2 2 265.357 -0.329 20 0 CBADLP CCOC[C@@H](O)C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000923331721 658214142 /nfs/dbraw/zinc/21/41/42/658214142.db2.gz FQJDQMNVWSMCKM-OLZOCXBDSA-N 2 2 285.388 -0.720 20 0 CBADLP CCOC[C@@H](O)C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000923331721 658214156 /nfs/dbraw/zinc/21/41/56/658214156.db2.gz FQJDQMNVWSMCKM-OLZOCXBDSA-N 2 2 285.388 -0.720 20 0 CBADLP CC(C)OC[C@H](O)C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000923335001 658223175 /nfs/dbraw/zinc/22/31/75/658223175.db2.gz ZLVXQHCDRZLYOQ-ZIAGYGMSSA-N 2 2 299.415 -0.332 20 0 CBADLP CC(C)OC[C@H](O)C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000923335001 658223186 /nfs/dbraw/zinc/22/31/86/658223186.db2.gz ZLVXQHCDRZLYOQ-ZIAGYGMSSA-N 2 2 299.415 -0.332 20 0 CBADLP C[C@@H]1C[N@H+](C[C@H](O)COC[C@@H]2CCCO2)C[C@@H]1[NH3+] ZINC000923365889 658234942 /nfs/dbraw/zinc/23/49/42/658234942.db2.gz HSWCLYSFUZSWME-VOAKCMCISA-N 2 2 258.362 -0.178 20 0 CBADLP C[C@@H]1C[N@@H+](C[C@H](O)COC[C@@H]2CCCO2)C[C@@H]1[NH3+] ZINC000923365889 658234968 /nfs/dbraw/zinc/23/49/68/658234968.db2.gz HSWCLYSFUZSWME-VOAKCMCISA-N 2 2 258.362 -0.178 20 0 CBADLP C[S@](=N)(=O)N1CC[NH+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923423042 658273028 /nfs/dbraw/zinc/27/30/28/658273028.db2.gz YSIGZMGDWAUDAV-JEOXALJRSA-N 2 2 288.417 -0.426 20 0 CBADLP [NH3+]C[C@H]1CCC[N@@H+]1C[C@@H](O)COC[C@@H]1CCCO1 ZINC000923426438 658274117 /nfs/dbraw/zinc/27/41/17/658274117.db2.gz DRVRNLICTDMSKX-UPJWGTAASA-N 2 2 258.362 -0.034 20 0 CBADLP [NH3+]C[C@H]1CCC[N@H+]1C[C@@H](O)COC[C@@H]1CCCO1 ZINC000923426438 658274164 /nfs/dbraw/zinc/27/41/64/658274164.db2.gz DRVRNLICTDMSKX-UPJWGTAASA-N 2 2 258.362 -0.034 20 0 CBADLP C[N@H+](CC(C)(C)S(C)(=O)=O)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923423885 658274230 /nfs/dbraw/zinc/27/42/30/658274230.db2.gz CPFFBJGJRNPBIF-GUBZILKMSA-N 2 2 264.391 -0.408 20 0 CBADLP C[N@@H+](CC(C)(C)S(C)(=O)=O)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923423885 658274241 /nfs/dbraw/zinc/27/42/41/658274241.db2.gz CPFFBJGJRNPBIF-GUBZILKMSA-N 2 2 264.391 -0.408 20 0 CBADLP O=S(=O)(C1C[NH+](CC2CCC2)C1)N1CC[NH2+]CC1 ZINC000923434614 658275810 /nfs/dbraw/zinc/27/58/10/658275810.db2.gz VIEQBXTYBSFGIT-UHFFFAOYSA-N 2 2 273.402 -0.294 20 0 CBADLP O=C(C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)NC[C@@H]1CCCO1 ZINC000923516696 658313675 /nfs/dbraw/zinc/31/36/75/658313675.db2.gz ONVKDXWHTLBORO-XQQFMLRXSA-N 2 2 267.373 -0.177 20 0 CBADLP O=C(C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)NC[C@@H]1CCCO1 ZINC000923516696 658313697 /nfs/dbraw/zinc/31/36/97/658313697.db2.gz ONVKDXWHTLBORO-XQQFMLRXSA-N 2 2 267.373 -0.177 20 0 CBADLP O=S(=O)(N[C@@H]1CCN(c2cccc[nH+]2)C1)C1C[NH2+]C1 ZINC000923630327 658363862 /nfs/dbraw/zinc/36/38/62/658363862.db2.gz VOPLFJMIFUJKHT-SNVBAGLBSA-N 2 2 282.369 -0.449 20 0 CBADLP C[C@H](C[C@H]1CCC(=O)N1)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000924841566 658644549 /nfs/dbraw/zinc/64/45/49/658644549.db2.gz KEAGVJMNNJIWOX-VXGBXAGGSA-N 2 2 282.388 -0.593 20 0 CBADLP Cn1c[nH+]c(CCN2C(=O)N[C@@H](C[NH+](C)C)C2=O)c1 ZINC000924922771 658661169 /nfs/dbraw/zinc/66/11/69/658661169.db2.gz CZBLOBDTPJFGIN-JTQLQIEISA-N 2 2 265.317 -0.555 20 0 CBADLP C[N@@H+]1C[C@@H](O)C[C@@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000924978630 658686939 /nfs/dbraw/zinc/68/69/39/658686939.db2.gz YKXQFRIOJGCRMT-OLZOCXBDSA-N 2 2 292.383 -0.057 20 0 CBADLP C[N@H+]1C[C@@H](O)C[C@@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000924978630 658686950 /nfs/dbraw/zinc/68/69/50/658686950.db2.gz YKXQFRIOJGCRMT-OLZOCXBDSA-N 2 2 292.383 -0.057 20 0 CBADLP C[N@@H+]1C[C@H](O)C[C@H]1CNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000924981824 658693018 /nfs/dbraw/zinc/69/30/18/658693018.db2.gz OTHYIZCTHOPNBM-OUDYMMNNSA-N 2 2 283.372 -0.944 20 0 CBADLP C[N@H+]1C[C@H](O)C[C@H]1CNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000924981824 658693019 /nfs/dbraw/zinc/69/30/19/658693019.db2.gz OTHYIZCTHOPNBM-OUDYMMNNSA-N 2 2 283.372 -0.944 20 0 CBADLP C/C(=C/C(=O)NCC[N@H+](C)CCO)C[NH+]1CCOCC1 ZINC000924997334 658724623 /nfs/dbraw/zinc/72/46/23/658724623.db2.gz CAKIWHQWAVWADL-QBFSEMIESA-N 2 2 285.388 -0.695 20 0 CBADLP C/C(=C/C(=O)NCC[N@@H+](C)CCO)C[NH+]1CCOCC1 ZINC000924997334 658724674 /nfs/dbraw/zinc/72/46/74/658724674.db2.gz CAKIWHQWAVWADL-QBFSEMIESA-N 2 2 285.388 -0.695 20 0 CBADLP C[NH+](C)C[C@H]1NC(=O)N(CC[N@@H+]2CCOCC2(C)C)C1=O ZINC000925293782 658818613 /nfs/dbraw/zinc/81/86/13/658818613.db2.gz DORFCFPARXPTPI-LLVKDONJSA-N 2 2 298.387 -0.421 20 0 CBADLP C[NH+](C)C[C@H]1NC(=O)N(CC[N@H+]2CCOCC2(C)C)C1=O ZINC000925293782 658818616 /nfs/dbraw/zinc/81/86/16/658818616.db2.gz DORFCFPARXPTPI-LLVKDONJSA-N 2 2 298.387 -0.421 20 0 CBADLP C[N@@H+]1CC[C@@H]1CNC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000925411534 658839711 /nfs/dbraw/zinc/83/97/11/658839711.db2.gz ZKWVRWNRTCPCKZ-GFCCVEGCSA-N 2 2 284.404 -0.211 20 0 CBADLP C[N@H+]1CC[C@@H]1CNC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000925411534 658839712 /nfs/dbraw/zinc/83/97/12/658839712.db2.gz ZKWVRWNRTCPCKZ-GFCCVEGCSA-N 2 2 284.404 -0.211 20 0 CBADLP C[N@@H+]1CC[C@@H]1CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000925411202 658840142 /nfs/dbraw/zinc/84/01/42/658840142.db2.gz MVYDOKXSHPJMIE-CHWSQXEVSA-N 2 2 282.388 -0.193 20 0 CBADLP C[N@H+]1CC[C@@H]1CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000925411202 658840146 /nfs/dbraw/zinc/84/01/46/658840146.db2.gz MVYDOKXSHPJMIE-CHWSQXEVSA-N 2 2 282.388 -0.193 20 0 CBADLP C[N@@H+]1CC[C@H]1CNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000925411205 658840460 /nfs/dbraw/zinc/84/04/60/658840460.db2.gz MVYDOKXSHPJMIE-STQMWFEESA-N 2 2 282.388 -0.193 20 0 CBADLP C[N@H+]1CC[C@H]1CNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000925411205 658840462 /nfs/dbraw/zinc/84/04/62/658840462.db2.gz MVYDOKXSHPJMIE-STQMWFEESA-N 2 2 282.388 -0.193 20 0 CBADLP C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@H]2CC[NH+]2C)[C@@H](C)C1 ZINC000925425208 658847729 /nfs/dbraw/zinc/84/77/29/658847729.db2.gz NEQALLRGFIFAFE-RWMBFGLXSA-N 2 2 284.404 -0.213 20 0 CBADLP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@H]2CC[NH+]2C)[C@@H](C)C1 ZINC000925425208 658847733 /nfs/dbraw/zinc/84/77/33/658847733.db2.gz NEQALLRGFIFAFE-RWMBFGLXSA-N 2 2 284.404 -0.213 20 0 CBADLP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@H]2CC[N@@H+]2C)[C@@H](C)C1 ZINC000925425208 658847736 /nfs/dbraw/zinc/84/77/36/658847736.db2.gz NEQALLRGFIFAFE-RWMBFGLXSA-N 2 2 284.404 -0.213 20 0 CBADLP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@H]2CC[N@H+]2C)[C@@H](C)C1 ZINC000925425208 658847740 /nfs/dbraw/zinc/84/77/40/658847740.db2.gz NEQALLRGFIFAFE-RWMBFGLXSA-N 2 2 284.404 -0.213 20 0 CBADLP C[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH+]cn1C ZINC000962291384 658850604 /nfs/dbraw/zinc/85/06/04/658850604.db2.gz FLPMZQAXAOIFEP-WUWHUORYSA-N 2 2 278.356 -0.610 20 0 CBADLP C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH+]cn1C ZINC000962291384 658850607 /nfs/dbraw/zinc/85/06/07/658850607.db2.gz FLPMZQAXAOIFEP-WUWHUORYSA-N 2 2 278.356 -0.610 20 0 CBADLP C[C@@H]1COC[C@H]1[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000925448808 658855478 /nfs/dbraw/zinc/85/54/78/658855478.db2.gz INPLCBOGJSMCIK-MGPQQGTHSA-N 2 2 297.399 -0.456 20 0 CBADLP CNC(=O)C[NH+]1CCC(N[C@H]2CC[NH2+]C2(C)C)CC1 ZINC000925537558 658858576 /nfs/dbraw/zinc/85/85/76/658858576.db2.gz LSYKMXQRTUQIDL-LBPRGKRZSA-N 2 2 268.405 -0.073 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC1CC(C[NH2+]Cc2cnon2)C1 ZINC000962896683 658861241 /nfs/dbraw/zinc/86/12/41/658861241.db2.gz ULUGGMPAVGQSBU-UHFFFAOYSA-N 2 2 290.327 -0.049 20 0 CBADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCN1CCNC1=O ZINC000925778651 658870543 /nfs/dbraw/zinc/87/05/43/658870543.db2.gz WHRXQXKMKRMAJS-GHMZBOCLSA-N 2 2 256.350 -0.632 20 0 CBADLP CS(=O)(=O)[C@H]1C[C@H]([NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000925772314 658870623 /nfs/dbraw/zinc/87/06/23/658870623.db2.gz RDJWEUIYRZGODO-ZDEQEGDKSA-N 2 2 288.413 -0.081 20 0 CBADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925816764 658873302 /nfs/dbraw/zinc/87/33/02/658873302.db2.gz IJOKRWOCBPRWBN-TZMCWYRMSA-N 3 2 270.421 -0.234 20 0 CBADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1cnnn1C ZINC000926747403 658913008 /nfs/dbraw/zinc/91/30/08/658913008.db2.gz AXRPUGMJHKCELG-QWRGUYRKSA-N 2 2 280.376 -0.195 20 0 CBADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1cnnn1C ZINC000926747403 658913009 /nfs/dbraw/zinc/91/30/09/658913009.db2.gz AXRPUGMJHKCELG-QWRGUYRKSA-N 2 2 280.376 -0.195 20 0 CBADLP C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000926748051 658913030 /nfs/dbraw/zinc/91/30/30/658913030.db2.gz DWSDYBJBNZIXEA-AGIUHOORSA-N 2 2 296.415 -0.027 20 0 CBADLP C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000926748051 658913033 /nfs/dbraw/zinc/91/30/33/658913033.db2.gz DWSDYBJBNZIXEA-AGIUHOORSA-N 2 2 296.415 -0.027 20 0 CBADLP C[C@@H](C[C@@H]1CCC(=O)N1)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000926748052 658913110 /nfs/dbraw/zinc/91/31/10/658913110.db2.gz DWSDYBJBNZIXEA-AVGNSLFASA-N 2 2 296.415 -0.027 20 0 CBADLP C[C@@H](C[C@@H]1CCC(=O)N1)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000926748052 658913113 /nfs/dbraw/zinc/91/31/13/658913113.db2.gz DWSDYBJBNZIXEA-AVGNSLFASA-N 2 2 296.415 -0.027 20 0 CBADLP C[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000968189841 658921101 /nfs/dbraw/zinc/92/11/01/658921101.db2.gz IRMHNPVBEUWYRK-AAEUAGOBSA-N 2 2 296.415 -0.360 20 0 CBADLP C[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000968189841 658921104 /nfs/dbraw/zinc/92/11/04/658921104.db2.gz IRMHNPVBEUWYRK-AAEUAGOBSA-N 2 2 296.415 -0.360 20 0 CBADLP C[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000968189847 658921554 /nfs/dbraw/zinc/92/15/54/658921554.db2.gz IRMHNPVBEUWYRK-YPMHNXCESA-N 2 2 296.415 -0.360 20 0 CBADLP C[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000968189847 658921557 /nfs/dbraw/zinc/92/15/57/658921557.db2.gz IRMHNPVBEUWYRK-YPMHNXCESA-N 2 2 296.415 -0.360 20 0 CBADLP C[C@@H]1CC[N@H+](CCO)C[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC000968544137 658931449 /nfs/dbraw/zinc/93/14/49/658931449.db2.gz IDGHBXDHRSBFMI-YPMHNXCESA-N 2 2 280.372 -0.219 20 0 CBADLP C[C@@H]1CC[N@@H+](CCO)C[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC000968544137 658931458 /nfs/dbraw/zinc/93/14/58/658931458.db2.gz IDGHBXDHRSBFMI-YPMHNXCESA-N 2 2 280.372 -0.219 20 0 CBADLP C[C@H](O)C[NH2+][C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000968535285 658931687 /nfs/dbraw/zinc/93/16/87/658931687.db2.gz ZEWCEQKIVKQJTI-WDEREUQCSA-N 2 2 266.345 -0.086 20 0 CBADLP C[C@H]1CC[N@H+](CC(N)=O)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000968647783 658937998 /nfs/dbraw/zinc/93/79/98/658937998.db2.gz OKOCHTYTVIXXIM-NWDGAFQWSA-N 2 2 282.388 -0.606 20 0 CBADLP C[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000968647783 658938005 /nfs/dbraw/zinc/93/80/05/658938005.db2.gz OKOCHTYTVIXXIM-NWDGAFQWSA-N 2 2 282.388 -0.606 20 0 CBADLP C[C@]1([NH3+])CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000927776351 658947205 /nfs/dbraw/zinc/94/72/05/658947205.db2.gz OXERSSKMNBKSSF-IPYPFGDCSA-N 2 2 297.399 -0.184 20 0 CBADLP NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000969092512 658950312 /nfs/dbraw/zinc/95/03/12/658950312.db2.gz WOSHAONAIMNWDE-SNVBAGLBSA-N 2 2 287.323 -0.148 20 0 CBADLP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000927811460 658950489 /nfs/dbraw/zinc/95/04/89/658950489.db2.gz WILJRLBIJHBSSD-MWLCHTKSSA-N 2 2 287.323 -0.003 20 0 CBADLP O=C(CCn1cc[nH+]c1)N1CC[C@@H]([NH2+]CCO)C1 ZINC000969523823 658999639 /nfs/dbraw/zinc/99/96/39/658999639.db2.gz RRSKMYOQALOTMT-LLVKDONJSA-N 2 2 252.318 -0.544 20 0 CBADLP C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C1C[NH+](CC(N)=O)C1 ZINC000969975496 659027389 /nfs/dbraw/zinc/02/73/89/659027389.db2.gz KMLAKHDUFBSZIU-PWSUYJOCSA-N 2 2 282.388 -0.608 20 0 CBADLP C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C1C[NH+](CC(N)=O)C1 ZINC000969975496 659027390 /nfs/dbraw/zinc/02/73/90/659027390.db2.gz KMLAKHDUFBSZIU-PWSUYJOCSA-N 2 2 282.388 -0.608 20 0 CBADLP C[C@@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)C1C[NH+](CCO)C1 ZINC000969979150 659027425 /nfs/dbraw/zinc/02/74/25/659027425.db2.gz FTCQHAZEZQGVSR-VXGBXAGGSA-N 2 2 292.383 -0.126 20 0 CBADLP C[C@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)C1C[NH+](CCO)C1 ZINC000969996877 659029202 /nfs/dbraw/zinc/02/92/02/659029202.db2.gz LFKNLHBCBKOTMV-RYUDHWBXSA-N 2 2 292.383 -0.126 20 0 CBADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H]([NH2+]CCO)C1 ZINC000970228446 659040823 /nfs/dbraw/zinc/04/08/23/659040823.db2.gz UVVLTDCJOGCBFU-WDEREUQCSA-N 2 2 266.345 -0.229 20 0 CBADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H]([NH2+]CCO)C1 ZINC000970228446 659040831 /nfs/dbraw/zinc/04/08/31/659040831.db2.gz UVVLTDCJOGCBFU-WDEREUQCSA-N 2 2 266.345 -0.229 20 0 CBADLP CCN1CC[NH+](CCC(=O)NC[C@@H]2CC[N@@H+]2C)CC1 ZINC000928563872 659043826 /nfs/dbraw/zinc/04/38/26/659043826.db2.gz OMSBMIPQHJJWPU-ZDUSSCGKSA-N 2 2 268.405 -0.166 20 0 CBADLP CCN1CC[NH+](CCC(=O)NC[C@@H]2CC[N@H+]2C)CC1 ZINC000928563872 659043833 /nfs/dbraw/zinc/04/38/33/659043833.db2.gz OMSBMIPQHJJWPU-ZDUSSCGKSA-N 2 2 268.405 -0.166 20 0 CBADLP C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1C[NH+](CC(N)=O)C1 ZINC000970325285 659050159 /nfs/dbraw/zinc/05/01/59/659050159.db2.gz CVWYIJNDASWMDX-SRVKXCTJSA-N 2 2 296.415 -0.362 20 0 CBADLP C[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1C[NH+](CC(N)=O)C1 ZINC000970325285 659050164 /nfs/dbraw/zinc/05/01/64/659050164.db2.gz CVWYIJNDASWMDX-SRVKXCTJSA-N 2 2 296.415 -0.362 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H]([NH2+]CCn2cncn2)C1 ZINC000970341778 659050180 /nfs/dbraw/zinc/05/01/80/659050180.db2.gz SKKPNRMCRAMXGY-LLVKDONJSA-N 2 2 289.343 -0.566 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC000970482057 659057464 /nfs/dbraw/zinc/05/74/64/659057464.db2.gz OPBAIIIRXHZLAL-PWSUYJOCSA-N 2 2 291.355 -0.958 20 0 CBADLP C[C@@H]([NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1)C(N)=O ZINC000970481255 659057990 /nfs/dbraw/zinc/05/79/90/659057990.db2.gz BNRUELXKUARCII-NXEZZACHSA-N 2 2 279.344 -0.973 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC000970482114 659058108 /nfs/dbraw/zinc/05/81/08/659058108.db2.gz OPBAIIIRXHZLAL-ZYHUDNBSSA-N 2 2 291.355 -0.958 20 0 CBADLP C[C@H](O)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000970482637 659058531 /nfs/dbraw/zinc/05/85/31/659058531.db2.gz XPJLDDUNMZNDAV-WDEREUQCSA-N 2 2 266.345 -0.466 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC000970577548 659062135 /nfs/dbraw/zinc/06/21/35/659062135.db2.gz YGTUMPNKMOGBEZ-VHSXEESVSA-N 2 2 279.344 -0.675 20 0 CBADLP C[C@H]([NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1)C(N)=O ZINC000970609506 659062654 /nfs/dbraw/zinc/06/26/54/659062654.db2.gz KHKFUWUKQHZYGO-WDEREUQCSA-N 2 2 293.371 -0.583 20 0 CBADLP C[C@H](O)C[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC000970610221 659063700 /nfs/dbraw/zinc/06/37/00/659063700.db2.gz VXQKNIYMIZAVGL-NWDGAFQWSA-N 2 2 280.372 -0.076 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H]([NH2+]CCn2cccn2)C1 ZINC000970856219 659072847 /nfs/dbraw/zinc/07/28/47/659072847.db2.gz GKHNIRFEMWDWBG-CYBMUJFWSA-N 2 2 288.355 -0.030 20 0 CBADLP C[N@H+](CCO)[C@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000971814950 659098899 /nfs/dbraw/zinc/09/88/99/659098899.db2.gz WNZPQLWMHFEXQK-STQMWFEESA-N 2 2 292.383 -0.030 20 0 CBADLP C[N@@H+](CCO)[C@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000971814950 659098909 /nfs/dbraw/zinc/09/89/09/659098909.db2.gz WNZPQLWMHFEXQK-STQMWFEESA-N 2 2 292.383 -0.030 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]([N@@H+](C)[C@@H](C)C(N)=O)C1 ZINC000971949768 659101300 /nfs/dbraw/zinc/10/13/00/659101300.db2.gz MYWFMQMCKZPKNB-NWDGAFQWSA-N 2 2 293.371 -0.402 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]([N@H+](C)[C@@H](C)C(N)=O)C1 ZINC000971949768 659101313 /nfs/dbraw/zinc/10/13/13/659101313.db2.gz MYWFMQMCKZPKNB-NWDGAFQWSA-N 2 2 293.371 -0.402 20 0 CBADLP C[N@H+](CCO)[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000972040066 659103136 /nfs/dbraw/zinc/10/31/36/659103136.db2.gz NJTHXZUAAZIJAD-LBPRGKRZSA-N 2 2 266.345 -0.202 20 0 CBADLP C[N@@H+](CCO)[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000972040066 659103150 /nfs/dbraw/zinc/10/31/50/659103150.db2.gz NJTHXZUAAZIJAD-LBPRGKRZSA-N 2 2 266.345 -0.202 20 0 CBADLP C[NH+](C)CC(=O)N1CC[NH+](C[C@@H]2C[C@H]3COC[C@@H]3O2)CC1 ZINC000929258729 659108174 /nfs/dbraw/zinc/10/81/74/659108174.db2.gz CKKXDWYJGUKJNF-IHRRRGAJSA-N 2 2 297.399 -0.504 20 0 CBADLP Cn1cc(C2=NC[C@H](C[NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)O2)cn1 ZINC000929313039 659115920 /nfs/dbraw/zinc/11/59/20/659115920.db2.gz PGRJSRKICKKFOS-GMXVVIOVSA-N 2 2 275.356 -0.283 20 0 CBADLP C[C@@H](C(N)=O)[N@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000972427483 659118344 /nfs/dbraw/zinc/11/83/44/659118344.db2.gz YCHSMBYGGFNZOS-ONGXEEELSA-N 2 2 279.344 -0.641 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000972427483 659118348 /nfs/dbraw/zinc/11/83/48/659118348.db2.gz YCHSMBYGGFNZOS-ONGXEEELSA-N 2 2 279.344 -0.641 20 0 CBADLP C[C@@H](O)C[N@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000972433586 659118589 /nfs/dbraw/zinc/11/85/89/659118589.db2.gz PPBUSWMTLBGYPR-PWSUYJOCSA-N 2 2 266.345 -0.134 20 0 CBADLP C[C@@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000972433586 659118596 /nfs/dbraw/zinc/11/85/96/659118596.db2.gz PPBUSWMTLBGYPR-PWSUYJOCSA-N 2 2 266.345 -0.134 20 0 CBADLP C[C@H](C(N)=O)[N@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000972724831 659127143 /nfs/dbraw/zinc/12/71/43/659127143.db2.gz RYWGYBWQJHGSTO-MNOVXSKESA-N 2 2 293.371 -0.631 20 0 CBADLP C[C@H](C(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000972724831 659127148 /nfs/dbraw/zinc/12/71/48/659127148.db2.gz RYWGYBWQJHGSTO-MNOVXSKESA-N 2 2 293.371 -0.631 20 0 CBADLP COc1cc[nH+]c(N2CC[NH+](C[C@@H](O)[C@H](C)O)CC2)c1 ZINC000929526064 659137274 /nfs/dbraw/zinc/13/72/74/659137274.db2.gz IPQLWMVPOIZDTH-WCQYABFASA-N 2 2 281.356 -0.046 20 0 CBADLP C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000929744304 659166678 /nfs/dbraw/zinc/16/66/78/659166678.db2.gz CNEUDCLGVYWKKS-ZYHUDNBSSA-N 2 2 280.372 -0.840 20 0 CBADLP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000929744304 659166680 /nfs/dbraw/zinc/16/66/80/659166680.db2.gz CNEUDCLGVYWKKS-ZYHUDNBSSA-N 2 2 280.372 -0.840 20 0 CBADLP C[NH+]1CC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000929744304 659166685 /nfs/dbraw/zinc/16/66/85/659166685.db2.gz CNEUDCLGVYWKKS-ZYHUDNBSSA-N 2 2 280.372 -0.840 20 0 CBADLP C[NH+]1CC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000929744304 659166692 /nfs/dbraw/zinc/16/66/92/659166692.db2.gz CNEUDCLGVYWKKS-ZYHUDNBSSA-N 2 2 280.372 -0.840 20 0 CBADLP C[C@H](O)C[N@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000980538170 659273533 /nfs/dbraw/zinc/27/35/33/659273533.db2.gz AYAWBCPSRCHWDS-RYUDHWBXSA-N 2 2 266.345 -0.203 20 0 CBADLP C[C@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000980538170 659273535 /nfs/dbraw/zinc/27/35/35/659273535.db2.gz AYAWBCPSRCHWDS-RYUDHWBXSA-N 2 2 266.345 -0.203 20 0 CBADLP COCC[NH+](CCOC)C1CC[NH+](C[C@H](O)CO)CC1 ZINC000930468148 659293246 /nfs/dbraw/zinc/29/32/46/659293246.db2.gz WPXYNKFDEVUAEN-AWEZNQCLSA-N 2 2 290.404 -0.601 20 0 CBADLP C[C@@H](O)C[N@H+]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000980893887 659299988 /nfs/dbraw/zinc/29/99/88/659299988.db2.gz QNEAFWXMAVGKTM-OLZOCXBDSA-N 2 2 285.388 -0.768 20 0 CBADLP C[C@@H](O)C[NH+]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000980893887 659299994 /nfs/dbraw/zinc/29/99/94/659299994.db2.gz QNEAFWXMAVGKTM-OLZOCXBDSA-N 2 2 285.388 -0.768 20 0 CBADLP C[C@@H](O)C[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000980893887 659300001 /nfs/dbraw/zinc/30/00/01/659300001.db2.gz QNEAFWXMAVGKTM-OLZOCXBDSA-N 2 2 285.388 -0.768 20 0 CBADLP CC(C)[NH2+]C1(CO)CC[NH+](C[C@@H](O)[C@H](C)O)CC1 ZINC000930613315 659311593 /nfs/dbraw/zinc/31/15/93/659311593.db2.gz GJGCSJJNNZBNMU-NWDGAFQWSA-N 2 2 260.378 -0.447 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC000981333732 659316062 /nfs/dbraw/zinc/31/60/62/659316062.db2.gz UHDKVNFCPHLUDD-AAEUAGOBSA-N 2 2 296.415 -0.265 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC000981333732 659316065 /nfs/dbraw/zinc/31/60/65/659316065.db2.gz UHDKVNFCPHLUDD-AAEUAGOBSA-N 2 2 296.415 -0.265 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1CCC[C@@H]([NH2+]CCO)C1 ZINC000981357587 659316159 /nfs/dbraw/zinc/31/61/59/659316159.db2.gz YVPDNISPVLGPBG-MNOVXSKESA-N 2 2 266.345 -0.039 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CCC[C@@H]([NH2+]CCO)C1 ZINC000981462700 659319178 /nfs/dbraw/zinc/31/91/78/659319178.db2.gz YTURMJNLSZBQSS-NEPJUHHUSA-N 2 2 280.372 -0.028 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC[NH+](CC(N)=O)CC1 ZINC000981959966 659337415 /nfs/dbraw/zinc/33/74/15/659337415.db2.gz QYRSWHDVGBIMQN-NEPJUHHUSA-N 2 2 282.388 -0.796 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC[NH+](CC(N)=O)CC1 ZINC000981959966 659337421 /nfs/dbraw/zinc/33/74/21/659337421.db2.gz QYRSWHDVGBIMQN-NEPJUHHUSA-N 2 2 282.388 -0.796 20 0 CBADLP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000981959966 659337427 /nfs/dbraw/zinc/33/74/27/659337427.db2.gz QYRSWHDVGBIMQN-NEPJUHHUSA-N 2 2 282.388 -0.796 20 0 CBADLP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000981959966 659337430 /nfs/dbraw/zinc/33/74/30/659337430.db2.gz QYRSWHDVGBIMQN-NEPJUHHUSA-N 2 2 282.388 -0.796 20 0 CBADLP C[C@@H]1[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000930840248 659350549 /nfs/dbraw/zinc/35/05/49/659350549.db2.gz SNRMYXYJHVXCLY-XQQFMLRXSA-N 2 2 296.415 -0.252 20 0 CBADLP C[C@@H]1[C@H](C)NC(=O)[C@H](C)[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000930840248 659350556 /nfs/dbraw/zinc/35/05/56/659350556.db2.gz SNRMYXYJHVXCLY-XQQFMLRXSA-N 2 2 296.415 -0.252 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1C[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC000984858744 659371365 /nfs/dbraw/zinc/37/13/65/659371365.db2.gz OGPLXCOJGYOWQW-NHCYSSNCSA-N 2 2 291.355 -0.675 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1C[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC000984858743 659371538 /nfs/dbraw/zinc/37/15/38/659371538.db2.gz OGPLXCOJGYOWQW-CKYFFXLPSA-N 2 2 291.355 -0.675 20 0 CBADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@@H](O)C[C@@]3(O)CCOC3)C[C@H]21 ZINC000931277239 659424285 /nfs/dbraw/zinc/42/42/85/659424285.db2.gz MOKOCIFDCASBRK-QNSTZXKLSA-N 2 2 270.373 -0.619 20 0 CBADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[C@@H](O)C[C@@]3(O)CCOC3)C[C@H]21 ZINC000931277239 659424289 /nfs/dbraw/zinc/42/42/89/659424289.db2.gz MOKOCIFDCASBRK-QNSTZXKLSA-N 2 2 270.373 -0.619 20 0 CBADLP C[NH+]1C[C@@]2(C)C[NH+](CCn3cnnn3)C[C@]2(C)C1 ZINC000931318975 659429368 /nfs/dbraw/zinc/42/93/68/659429368.db2.gz WIPQHULYYCKZIQ-RYUDHWBXSA-N 2 2 250.350 -0.053 20 0 CBADLP C[C@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000986211611 659432534 /nfs/dbraw/zinc/43/25/34/659432534.db2.gz IHFMYAOPIYBOFS-UWVGGRQHSA-N 2 2 279.344 -0.593 20 0 CBADLP C[C@H]1[C@H]([NH2+]CCO)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000986343694 659447399 /nfs/dbraw/zinc/44/73/99/659447399.db2.gz MBPJLPDONDVSSA-CMPLNLGQSA-N 2 2 266.345 -0.086 20 0 CBADLP C[C@H]1[C@H]([NH2+]CCO)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000986343694 659447417 /nfs/dbraw/zinc/44/74/17/659447417.db2.gz MBPJLPDONDVSSA-CMPLNLGQSA-N 2 2 266.345 -0.086 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)N2CC[N@H+](C)[C@H](CO)C2)CC1 ZINC000931412647 659459691 /nfs/dbraw/zinc/45/96/91/659459691.db2.gz ZIEAVXZKCKCZFK-KGLIPLIRSA-N 2 2 298.431 -0.853 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)N2CC[N@@H+](C)[C@H](CO)C2)CC1 ZINC000931412647 659459694 /nfs/dbraw/zinc/45/96/94/659459694.db2.gz ZIEAVXZKCKCZFK-KGLIPLIRSA-N 2 2 298.431 -0.853 20 0 CBADLP C[C@@H]1[C@@H]([NH2+]CCO)CCN1C(=O)CCn1cc[nH+]c1 ZINC000986626317 659465835 /nfs/dbraw/zinc/46/58/35/659465835.db2.gz AZEGTFNRGARBNI-NEPJUHHUSA-N 2 2 266.345 -0.156 20 0 CBADLP COC1(OC)CC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C[C@H]1O ZINC000931633011 659496474 /nfs/dbraw/zinc/49/64/74/659496474.db2.gz FMCHIGDDLURRAQ-QWHCGFSZSA-N 2 2 288.388 -0.503 20 0 CBADLP COC1(OC)CC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C[C@H]1O ZINC000931633011 659496479 /nfs/dbraw/zinc/49/64/79/659496479.db2.gz FMCHIGDDLURRAQ-QWHCGFSZSA-N 2 2 288.388 -0.503 20 0 CBADLP COC1(OC)CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C[C@H]1O ZINC000931633011 659496483 /nfs/dbraw/zinc/49/64/83/659496483.db2.gz FMCHIGDDLURRAQ-QWHCGFSZSA-N 2 2 288.388 -0.503 20 0 CBADLP COC1(OC)CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C[C@H]1O ZINC000931633011 659496488 /nfs/dbraw/zinc/49/64/88/659496488.db2.gz FMCHIGDDLURRAQ-QWHCGFSZSA-N 2 2 288.388 -0.503 20 0 CBADLP C[C@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000987260646 659499704 /nfs/dbraw/zinc/49/97/04/659499704.db2.gz NRDDYYYCUAEXPI-IUCAKERBSA-N 2 2 265.317 -0.984 20 0 CBADLP C[C@H]1[C@H]([NH2+]CC(N)=O)CCN1C(=O)Cc1c[nH+]cn1C ZINC000987346763 659503253 /nfs/dbraw/zinc/50/32/53/659503253.db2.gz BUDCFKFRFOCCRA-GXSJLCMTSA-N 2 2 279.344 -0.973 20 0 CBADLP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)NC[C@@H]1CC[NH+]1C ZINC000931880031 659540812 /nfs/dbraw/zinc/54/08/12/659540812.db2.gz ZVUPHMIICWGZQY-QWHCGFSZSA-N 2 2 296.415 -0.395 20 0 CBADLP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC[C@@H]1CC[NH+]1C ZINC000931880031 659540821 /nfs/dbraw/zinc/54/08/21/659540821.db2.gz ZVUPHMIICWGZQY-QWHCGFSZSA-N 2 2 296.415 -0.395 20 0 CBADLP CC(C)[C@H]1C[NH+](C)CCN1C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000931880031 659540830 /nfs/dbraw/zinc/54/08/30/659540830.db2.gz ZVUPHMIICWGZQY-QWHCGFSZSA-N 2 2 296.415 -0.395 20 0 CBADLP CC(C)[C@H]1C[NH+](C)CCN1C(=O)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000931880031 659540839 /nfs/dbraw/zinc/54/08/39/659540839.db2.gz ZVUPHMIICWGZQY-QWHCGFSZSA-N 2 2 296.415 -0.395 20 0 CBADLP C[C@@H]1C[C@H]([NH2+]CCO)CN1C(=O)CCc1c[nH]c[nH+]1 ZINC000988934335 659563086 /nfs/dbraw/zinc/56/30/86/659563086.db2.gz SBJFDYKAXJRNOQ-PWSUYJOCSA-N 2 2 266.345 -0.086 20 0 CBADLP C[C@@H]1C[C@H]([NH2+]CCO)CN1C(=O)CCc1c[nH+]c[nH]1 ZINC000988934335 659563093 /nfs/dbraw/zinc/56/30/93/659563093.db2.gz SBJFDYKAXJRNOQ-PWSUYJOCSA-N 2 2 266.345 -0.086 20 0 CBADLP C[C@H]1C[C@@H]([NH2+]CC(N)=O)CN1C(=O)CCc1c[nH]c[nH+]1 ZINC000988934077 659563616 /nfs/dbraw/zinc/56/36/16/659563616.db2.gz PZLKJODJBFJPNO-GXSJLCMTSA-N 2 2 279.344 -0.593 20 0 CBADLP C[C@@H]1C[C@H]([NH2+]CCO)CN1C(=O)CCc1[nH+]ccn1C ZINC000989228733 659575349 /nfs/dbraw/zinc/57/53/49/659575349.db2.gz IFQURXSXQOWKKZ-NEPJUHHUSA-N 2 2 280.372 -0.076 20 0 CBADLP C[C@H]1C[C@@H]([NH2+]CC(N)=O)CN1C(=O)CCn1cc[nH+]c1 ZINC000989265655 659577552 /nfs/dbraw/zinc/57/75/52/659577552.db2.gz HVALOURBXMKVPP-WDEREUQCSA-N 2 2 279.344 -0.663 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC000989480345 659589490 /nfs/dbraw/zinc/58/94/90/659589490.db2.gz FSNMSYOSLRSUJC-STQMWFEESA-N 2 2 296.415 -0.264 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC000989480345 659589492 /nfs/dbraw/zinc/58/94/92/659589492.db2.gz FSNMSYOSLRSUJC-STQMWFEESA-N 2 2 296.415 -0.264 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000989480345 659589496 /nfs/dbraw/zinc/58/94/96/659589496.db2.gz FSNMSYOSLRSUJC-STQMWFEESA-N 2 2 296.415 -0.264 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000989480345 659589499 /nfs/dbraw/zinc/58/94/99/659589499.db2.gz FSNMSYOSLRSUJC-STQMWFEESA-N 2 2 296.415 -0.264 20 0 CBADLP C[C@@H]1C[C@H]([NH2+]CC(N)=O)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC000989491415 659589592 /nfs/dbraw/zinc/58/95/92/659589592.db2.gz GITWVQRSQKZTRT-SCZZXKLOSA-N 2 2 265.317 -0.984 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[N@H+](CCO)CC1 ZINC000989562268 659595167 /nfs/dbraw/zinc/59/51/67/659595167.db2.gz DHKLSDSBYNBVLT-UHFFFAOYSA-N 2 2 266.345 -0.213 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[N@@H+](CCO)CC1 ZINC000989562268 659595177 /nfs/dbraw/zinc/59/51/77/659595177.db2.gz DHKLSDSBYNBVLT-UHFFFAOYSA-N 2 2 266.345 -0.213 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CCCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000989670260 659607386 /nfs/dbraw/zinc/60/73/86/659607386.db2.gz QZWKLSOFPLZZQP-GFCCVEGCSA-N 2 2 282.388 -0.510 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CCCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000989670260 659607389 /nfs/dbraw/zinc/60/73/89/659607389.db2.gz QZWKLSOFPLZZQP-GFCCVEGCSA-N 2 2 282.388 -0.510 20 0 CBADLP C[C@@H]1COC[C@@H]1[NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000932498514 659607493 /nfs/dbraw/zinc/60/74/93/659607493.db2.gz XLFXJPWKKHHNMQ-OLZOCXBDSA-N 2 2 299.415 -0.162 20 0 CBADLP C[C@H]1C[C@@H]([NH2+]CCO)CN1C(=O)Cc1c[nH+]cn1C ZINC000989680207 659608560 /nfs/dbraw/zinc/60/85/60/659608560.db2.gz RLAIUZIJORHHLD-WDEREUQCSA-N 2 2 266.345 -0.466 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]([NH2+]CC(N)=O)C[C@H]1C ZINC000989724671 659609636 /nfs/dbraw/zinc/60/96/36/659609636.db2.gz BMYFXSLKJHMQCG-SCZZXKLOSA-N 2 2 279.344 -0.675 20 0 CBADLP C[C@@H]1C[C@H]([NH2+]CC(N)=O)CN1C(=O)CCc1c[nH+]cn1C ZINC000989736413 659611575 /nfs/dbraw/zinc/61/15/75/659611575.db2.gz OGRIKUHPDUQFFI-MNOVXSKESA-N 2 2 293.371 -0.583 20 0 CBADLP C[N@H+](C[C@H](O)C[NH+]1CC[C@@H](CS(N)(=O)=O)C1)C1CC1 ZINC000932949211 659645130 /nfs/dbraw/zinc/64/51/30/659645130.db2.gz WDGCCCOZBJRRSU-PWSUYJOCSA-N 2 2 291.417 -0.948 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH+]1CC[C@@H](CS(N)(=O)=O)C1)C1CC1 ZINC000932949211 659645136 /nfs/dbraw/zinc/64/51/36/659645136.db2.gz WDGCCCOZBJRRSU-PWSUYJOCSA-N 2 2 291.417 -0.948 20 0 CBADLP C[NH+](C[C@H](O)C[N@@H+]1CC[C@@H](CS(N)(=O)=O)C1)C1CC1 ZINC000932949211 659645143 /nfs/dbraw/zinc/64/51/43/659645143.db2.gz WDGCCCOZBJRRSU-PWSUYJOCSA-N 2 2 291.417 -0.948 20 0 CBADLP C[NH+](C[C@H](O)C[N@H+]1CC[C@@H](CS(N)(=O)=O)C1)C1CC1 ZINC000932949211 659645148 /nfs/dbraw/zinc/64/51/48/659645148.db2.gz WDGCCCOZBJRRSU-PWSUYJOCSA-N 2 2 291.417 -0.948 20 0 CBADLP Cn1c[nH+]cc1CCC[N@@H+]1CCN2[C@H](CNS2(=O)=O)C1 ZINC000933098216 659673700 /nfs/dbraw/zinc/67/37/00/659673700.db2.gz ZPMHULORHJUXMU-GFCCVEGCSA-N 2 2 299.400 -0.813 20 0 CBADLP Cn1c[nH+]cc1CCC[N@H+]1CCN2[C@H](CNS2(=O)=O)C1 ZINC000933098216 659673720 /nfs/dbraw/zinc/67/37/20/659673720.db2.gz ZPMHULORHJUXMU-GFCCVEGCSA-N 2 2 299.400 -0.813 20 0 CBADLP C[N@@H+]1C[C@@H]2C[NH+](CCCS(N)(=O)=O)C[C@]2(C)C1 ZINC000933733343 659735588 /nfs/dbraw/zinc/73/55/88/659735588.db2.gz CLSLQCHXWFKYJA-MNOVXSKESA-N 2 2 261.391 -0.452 20 0 CBADLP C[N@H+]1C[C@@H]2C[NH+](CCCS(N)(=O)=O)C[C@]2(C)C1 ZINC000933733343 659735592 /nfs/dbraw/zinc/73/55/92/659735592.db2.gz CLSLQCHXWFKYJA-MNOVXSKESA-N 2 2 261.391 -0.452 20 0 CBADLP C[NH+]1C[C@@H]2C[N@H+](CCCS(N)(=O)=O)C[C@]2(C)C1 ZINC000933733343 659735595 /nfs/dbraw/zinc/73/55/95/659735595.db2.gz CLSLQCHXWFKYJA-MNOVXSKESA-N 2 2 261.391 -0.452 20 0 CBADLP C[NH+]1C[C@@H]2C[N@@H+](CCCS(N)(=O)=O)C[C@]2(C)C1 ZINC000933733343 659735597 /nfs/dbraw/zinc/73/55/97/659735597.db2.gz CLSLQCHXWFKYJA-MNOVXSKESA-N 2 2 261.391 -0.452 20 0 CBADLP C[NH+]1CCC(OCC(=O)NC[C@H]2C[NH+]3CCN2CC3)CC1 ZINC000935015097 659815378 /nfs/dbraw/zinc/81/53/78/659815378.db2.gz GYPTWKBMJVKDKE-ZDUSSCGKSA-N 2 2 296.415 -0.787 20 0 CBADLP C[N@@H+]1CC[C@H](C(=O)NC2CN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC000991720153 659842638 /nfs/dbraw/zinc/84/26/38/659842638.db2.gz YXXLLXDRUHPBEB-JTQLQIEISA-N 2 2 291.355 -0.769 20 0 CBADLP C[N@H+]1CC[C@H](C(=O)NC2CN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC000991720153 659842639 /nfs/dbraw/zinc/84/26/39/659842639.db2.gz YXXLLXDRUHPBEB-JTQLQIEISA-N 2 2 291.355 -0.769 20 0 CBADLP O=C(C[NH+]1CCCC1)NC1CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000991744359 659844364 /nfs/dbraw/zinc/84/43/64/659844364.db2.gz VANAKUCVJMGAGM-UHFFFAOYSA-N 2 2 291.355 -0.625 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCO)C1 ZINC000939621938 659891511 /nfs/dbraw/zinc/89/15/11/659891511.db2.gz GMNLCUHTVMDFIA-BXKDBHETSA-N 2 2 266.345 -0.311 20 0 CBADLP CC1(C)CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1[NH2+]CC(N)=O ZINC000996107633 659922681 /nfs/dbraw/zinc/92/26/81/659922681.db2.gz UOJAZAMNEJMUIE-NSHDSACASA-N 2 2 293.371 -0.415 20 0 CBADLP C[C@@H]1C[N@H+](CCO)CC[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC000944151957 659934231 /nfs/dbraw/zinc/93/42/31/659934231.db2.gz BOFLGWMYFRXHHP-YPMHNXCESA-N 2 2 280.372 -0.219 20 0 CBADLP C[C@@H]1C[N@@H+](CCO)CC[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC000944151957 659934234 /nfs/dbraw/zinc/93/42/34/659934234.db2.gz BOFLGWMYFRXHHP-YPMHNXCESA-N 2 2 280.372 -0.219 20 0 CBADLP C[C@@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC[N@@H+]1CCO ZINC000947761587 659961348 /nfs/dbraw/zinc/96/13/48/659961348.db2.gz NBAIGAFPROLCPB-GHMZBOCLSA-N 2 2 266.345 -0.086 20 0 CBADLP C[C@@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC[N@H+]1CCO ZINC000947761587 659961349 /nfs/dbraw/zinc/96/13/49/659961349.db2.gz NBAIGAFPROLCPB-GHMZBOCLSA-N 2 2 266.345 -0.086 20 0 CBADLP C[C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CC[N@@H+]1CCO ZINC000947861482 659962169 /nfs/dbraw/zinc/96/21/69/659962169.db2.gz NBMSYBANUNBAGC-QWRGUYRKSA-N 2 2 266.345 -0.086 20 0 CBADLP C[C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CC[N@H+]1CCO ZINC000947861482 659962171 /nfs/dbraw/zinc/96/21/71/659962171.db2.gz NBMSYBANUNBAGC-QWRGUYRKSA-N 2 2 266.345 -0.086 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N1CC[NH+](CCCO)CC1 ZINC000949314547 659979049 /nfs/dbraw/zinc/97/90/49/659979049.db2.gz LWNISBJDKNRILZ-UHFFFAOYSA-N 2 2 266.345 -0.282 20 0 CBADLP CN(C)c1cc(N2CCN3CC[NH2+]C[C@H]3C2)nc[nH+]1 ZINC001164391895 718828662 /nfs/dbraw/zinc/82/86/62/718828662.db2.gz MCMUBXNKUCCWOV-NSHDSACASA-N 2 2 262.361 -0.364 20 0 CBADLP O=C1COc2cc[nH+]c(N3CCN4CC[NH2+]C[C@H]4C3)c2N1 ZINC001164398605 718834689 /nfs/dbraw/zinc/83/46/89/718834689.db2.gz HNAXQHFJWIBSTH-JTQLQIEISA-N 2 2 289.339 -0.494 20 0 CBADLP CN(C[C@@H](O)CO)c1cccc(N2CC[NH+](C)CC2)[nH+]1 ZINC001164665317 719365579 /nfs/dbraw/zinc/36/55/79/719365579.db2.gz BAFBKPMENVQBFR-GFCCVEGCSA-N 2 2 280.372 -0.377 20 0 CBADLP CC(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001076838968 805636990 /nfs/dbraw/zinc/63/69/90/805636990.db2.gz VCBSZYHTGDRFBU-UPJWGTAASA-N 2 2 285.388 -0.866 20 0 CBADLP CC(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001076838968 805636993 /nfs/dbraw/zinc/63/69/93/805636993.db2.gz VCBSZYHTGDRFBU-UPJWGTAASA-N 2 2 285.388 -0.866 20 0 CBADLP CC(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001076838968 805636997 /nfs/dbraw/zinc/63/69/97/805636997.db2.gz VCBSZYHTGDRFBU-UPJWGTAASA-N 2 2 285.388 -0.866 20 0 CBADLP CC(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001076838968 805637002 /nfs/dbraw/zinc/63/70/02/805637002.db2.gz VCBSZYHTGDRFBU-UPJWGTAASA-N 2 2 285.388 -0.866 20 0 CBADLP C[C@@H]1C[N@H+](C[C@H]2CCCN(S(C)(=O)=O)C2)C[C@H]1[NH3+] ZINC000300089370 790467046 /nfs/dbraw/zinc/46/70/46/790467046.db2.gz PWRILMROWATKAI-IJLUTSLNSA-N 2 2 275.418 -0.063 20 0 CBADLP C[C@@H]1C[N@@H+](C[C@H]2CCCN(S(C)(=O)=O)C2)C[C@H]1[NH3+] ZINC000300089370 790467051 /nfs/dbraw/zinc/46/70/51/790467051.db2.gz PWRILMROWATKAI-IJLUTSLNSA-N 2 2 275.418 -0.063 20 0 CBADLP C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]([NH3+])COC(C)(C)C)C1 ZINC000379477599 790510030 /nfs/dbraw/zinc/51/00/30/790510030.db2.gz ZTIBZPIGVPVXNO-MNOVXSKESA-N 2 2 273.377 -0.424 20 0 CBADLP C[N@H+]1CCO[C@H](CNC(=O)[C@@H]([NH3+])COC(C)(C)C)C1 ZINC000379477599 790510039 /nfs/dbraw/zinc/51/00/39/790510039.db2.gz ZTIBZPIGVPVXNO-MNOVXSKESA-N 2 2 273.377 -0.424 20 0 CBADLP CO[C@@H]1C[N@H+](C[C@H](O)C[NH+]2CCCC2)C[C@@H]1OC ZINC000385345524 790539672 /nfs/dbraw/zinc/53/96/72/790539672.db2.gz CMEDHMQWXCCWIR-UPJWGTAASA-N 2 2 258.362 -0.211 20 0 CBADLP CO[C@@H]1C[N@@H+](C[C@H](O)C[NH+]2CCCC2)C[C@@H]1OC ZINC000385345524 790539675 /nfs/dbraw/zinc/53/96/75/790539675.db2.gz CMEDHMQWXCCWIR-UPJWGTAASA-N 2 2 258.362 -0.211 20 0 CBADLP C[C@@H]1CCN(C[C@@H](O)C[NH+]2CCOCC2)C[C@@H]1[NH3+] ZINC000386294530 790547164 /nfs/dbraw/zinc/54/71/64/790547164.db2.gz DOSFRNFGWXLEEM-AGIUHOORSA-N 2 2 257.378 -0.651 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](CC[NH3+])C1 ZINC000388803352 790558416 /nfs/dbraw/zinc/55/84/16/790558416.db2.gz UJOPYUMRQUJQOS-ZIAGYGMSSA-N 3 2 273.421 -0.014 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](CC[NH3+])C1 ZINC000388803352 790558424 /nfs/dbraw/zinc/55/84/24/790558424.db2.gz UJOPYUMRQUJQOS-ZIAGYGMSSA-N 3 2 273.421 -0.014 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000388803352 790558434 /nfs/dbraw/zinc/55/84/34/790558434.db2.gz UJOPYUMRQUJQOS-ZIAGYGMSSA-N 3 2 273.421 -0.014 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000388803352 790558443 /nfs/dbraw/zinc/55/84/43/790558443.db2.gz UJOPYUMRQUJQOS-ZIAGYGMSSA-N 3 2 273.421 -0.014 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000388877077 790559560 /nfs/dbraw/zinc/55/95/60/790559560.db2.gz RRDXHTRPCITSCI-MCIONIFRSA-N 3 2 273.421 -0.158 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000388877077 790559565 /nfs/dbraw/zinc/55/95/65/790559565.db2.gz RRDXHTRPCITSCI-MCIONIFRSA-N 3 2 273.421 -0.158 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000388877077 790559573 /nfs/dbraw/zinc/55/95/73/790559573.db2.gz RRDXHTRPCITSCI-MCIONIFRSA-N 3 2 273.421 -0.158 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000388877077 790559578 /nfs/dbraw/zinc/55/95/78/790559578.db2.gz RRDXHTRPCITSCI-MCIONIFRSA-N 3 2 273.421 -0.158 20 0 CBADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](O)[C@@H](CO)C1 ZINC000396898916 790589118 /nfs/dbraw/zinc/58/91/18/790589118.db2.gz VLMXIFKFDXWZLS-AGIUHOORSA-N 2 2 260.378 -0.637 20 0 CBADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](O)[C@@H](CO)C1 ZINC000396898916 790589128 /nfs/dbraw/zinc/58/91/28/790589128.db2.gz VLMXIFKFDXWZLS-AGIUHOORSA-N 2 2 260.378 -0.637 20 0 CBADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC000396898916 790589139 /nfs/dbraw/zinc/58/91/39/790589139.db2.gz VLMXIFKFDXWZLS-AGIUHOORSA-N 2 2 260.378 -0.637 20 0 CBADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC000396898916 790589150 /nfs/dbraw/zinc/58/91/50/790589150.db2.gz VLMXIFKFDXWZLS-AGIUHOORSA-N 2 2 260.378 -0.637 20 0 CBADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](O)[C@@H](CO)C1 ZINC000396898918 790589211 /nfs/dbraw/zinc/58/92/11/790589211.db2.gz VLMXIFKFDXWZLS-FRRDWIJNSA-N 2 2 260.378 -0.637 20 0 CBADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](O)[C@@H](CO)C1 ZINC000396898918 790589215 /nfs/dbraw/zinc/58/92/15/790589215.db2.gz VLMXIFKFDXWZLS-FRRDWIJNSA-N 2 2 260.378 -0.637 20 0 CBADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](O)[C@@H](CO)C1 ZINC000396898918 790589223 /nfs/dbraw/zinc/58/92/23/790589223.db2.gz VLMXIFKFDXWZLS-FRRDWIJNSA-N 2 2 260.378 -0.637 20 0 CBADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](O)[C@@H](CO)C1 ZINC000396898918 790589233 /nfs/dbraw/zinc/58/92/33/790589233.db2.gz VLMXIFKFDXWZLS-FRRDWIJNSA-N 2 2 260.378 -0.637 20 0 CBADLP CS(=O)(=O)N1CC[C@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)C1 ZINC000400183721 790603542 /nfs/dbraw/zinc/60/35/42/790603542.db2.gz QIULIMDQWYOTET-MCDVFOBDSA-N 2 2 285.413 -0.394 20 0 CBADLP C[C@@H]1OC[C@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)[C@@H]1C ZINC000405711621 790619126 /nfs/dbraw/zinc/61/91/26/790619126.db2.gz GPWNSFFLXPZCIM-WOPDTQHZSA-N 2 2 255.362 -0.227 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@H](N3C(=O)CNC3=O)C2)CC1 ZINC000585379942 790636477 /nfs/dbraw/zinc/63/64/77/790636477.db2.gz PVLJIANDVSTXHO-NSHDSACASA-N 2 2 266.345 -0.293 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@H](N3C(=O)CNC3=O)C2)CC1 ZINC000585379942 790636479 /nfs/dbraw/zinc/63/64/79/790636479.db2.gz PVLJIANDVSTXHO-NSHDSACASA-N 2 2 266.345 -0.293 20 0 CBADLP CC[N@H+](CCN1CC[NH2+]CC1)CCS(C)(=O)=O ZINC000688593478 790665532 /nfs/dbraw/zinc/66/55/32/790665532.db2.gz XGIMCXFKOFIGPX-UHFFFAOYSA-N 2 2 263.407 -0.742 20 0 CBADLP CC[N@@H+](CCN1CC[NH2+]CC1)CCS(C)(=O)=O ZINC000688593478 790665538 /nfs/dbraw/zinc/66/55/38/790665538.db2.gz XGIMCXFKOFIGPX-UHFFFAOYSA-N 2 2 263.407 -0.742 20 0 CBADLP CNC(=O)C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000705788671 790727253 /nfs/dbraw/zinc/72/72/53/790727253.db2.gz PIFRZHNKNVMPNX-OAHLLOKOSA-N 2 2 277.368 -0.041 20 0 CBADLP CNC(=O)C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000705788671 790727265 /nfs/dbraw/zinc/72/72/65/790727265.db2.gz PIFRZHNKNVMPNX-OAHLLOKOSA-N 2 2 277.368 -0.041 20 0 CBADLP C[C@@H]1CO[C@@H](C(=O)NCC[NH+]2CCC([NH3+])CC2)C1 ZINC000718450121 790759615 /nfs/dbraw/zinc/75/96/15/790759615.db2.gz VPQXYEGWDOLEIL-CMPLNLGQSA-N 2 2 255.362 -0.049 20 0 CBADLP C[C@@H](C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C)N1CC[NH2+]CC1=O ZINC000719445622 790760332 /nfs/dbraw/zinc/76/03/32/790760332.db2.gz VZLRTPPFQLSVSW-OUAUKWLOSA-N 2 2 268.361 -0.985 20 0 CBADLP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1C)N1CC[NH2+]CC1=O ZINC000719445622 790760344 /nfs/dbraw/zinc/76/03/44/790760344.db2.gz VZLRTPPFQLSVSW-OUAUKWLOSA-N 2 2 268.361 -0.985 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)c1c(C[NH3+])cnn1C ZINC000719287011 790761030 /nfs/dbraw/zinc/76/10/30/790761030.db2.gz TYXPIVNNJHUVPE-SECBINFHSA-N 2 2 262.317 -0.106 20 0 CBADLP C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)CN1CC[NH2+]CC1=O ZINC000720897706 790773734 /nfs/dbraw/zinc/77/37/34/790773734.db2.gz IDPSXTLYKBVACZ-RYUDHWBXSA-N 2 2 280.372 -0.887 20 0 CBADLP C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)CN1CC[NH2+]CC1=O ZINC000720897706 790773741 /nfs/dbraw/zinc/77/37/41/790773741.db2.gz IDPSXTLYKBVACZ-RYUDHWBXSA-N 2 2 280.372 -0.887 20 0 CBADLP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)CN1CC[NH2+]CC1=O ZINC000720897709 790775037 /nfs/dbraw/zinc/77/50/37/790775037.db2.gz IDPSXTLYKBVACZ-VXGBXAGGSA-N 2 2 280.372 -0.887 20 0 CBADLP C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)CN1CC[NH2+]CC1=O ZINC000720897709 790775040 /nfs/dbraw/zinc/77/50/40/790775040.db2.gz IDPSXTLYKBVACZ-VXGBXAGGSA-N 2 2 280.372 -0.887 20 0 CBADLP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CC[NH+](CCO)C(C)(C)C1 ZINC000828760383 790895063 /nfs/dbraw/zinc/89/50/63/790895063.db2.gz BUCBZTOGEJHYOX-WFASDCNBSA-N 2 2 299.415 -0.643 20 0 CBADLP C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CC[NH+](CCO)C(C)(C)C1 ZINC000828760383 790895079 /nfs/dbraw/zinc/89/50/79/790895079.db2.gz BUCBZTOGEJHYOX-WFASDCNBSA-N 2 2 299.415 -0.643 20 0 CBADLP C[NH+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000828760383 790895089 /nfs/dbraw/zinc/89/50/89/790895089.db2.gz BUCBZTOGEJHYOX-WFASDCNBSA-N 2 2 299.415 -0.643 20 0 CBADLP C[NH+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000828760383 790895094 /nfs/dbraw/zinc/89/50/94/790895094.db2.gz BUCBZTOGEJHYOX-WFASDCNBSA-N 2 2 299.415 -0.643 20 0 CBADLP Cc1cn(C(C)(C)C(=O)N[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)c[nH+]1 ZINC001022274344 791002982 /nfs/dbraw/zinc/00/29/82/791002982.db2.gz XEWAFUISRGENTL-PHIMTYICSA-N 2 2 293.371 -0.351 20 0 CBADLP COc1cc[nH+]cc1CC(=O)N[C@H]1C[C@@H]([NH2+]CCO)C1 ZINC001022276001 791003047 /nfs/dbraw/zinc/00/30/47/791003047.db2.gz XLDOHQWLNCPDKC-TXEJJXNPSA-N 2 2 279.340 -0.138 20 0 CBADLP NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001022309802 791004900 /nfs/dbraw/zinc/00/49/00/791004900.db2.gz GGIBSYYYJLJQSH-MXWKQRLJSA-N 2 2 291.355 -0.832 20 0 CBADLP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCF)C[C@H]2O)CC1 ZINC001077618958 805757401 /nfs/dbraw/zinc/75/74/01/805757401.db2.gz XDCSUBKJHWOHOU-VXGBXAGGSA-N 2 2 273.352 -0.541 20 0 CBADLP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCF)C[C@H]2O)CC1 ZINC001077618958 805757406 /nfs/dbraw/zinc/75/74/06/805757406.db2.gz XDCSUBKJHWOHOU-VXGBXAGGSA-N 2 2 273.352 -0.541 20 0 CBADLP COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001077675164 805764915 /nfs/dbraw/zinc/76/49/15/805764915.db2.gz DBDWZWIRBMHZAK-JHJVBQTASA-N 2 2 285.388 -0.722 20 0 CBADLP COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001077675164 805764921 /nfs/dbraw/zinc/76/49/21/805764921.db2.gz DBDWZWIRBMHZAK-JHJVBQTASA-N 2 2 285.388 -0.722 20 0 CBADLP COCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001077675164 805764927 /nfs/dbraw/zinc/76/49/27/805764927.db2.gz DBDWZWIRBMHZAK-JHJVBQTASA-N 2 2 285.388 -0.722 20 0 CBADLP COCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001077675164 805764933 /nfs/dbraw/zinc/76/49/33/805764933.db2.gz DBDWZWIRBMHZAK-JHJVBQTASA-N 2 2 285.388 -0.722 20 0 CBADLP C[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001077685413 805766600 /nfs/dbraw/zinc/76/66/00/805766600.db2.gz PXXBNDBNZJIWPO-JHJVBQTASA-N 2 2 299.415 -0.740 20 0 CBADLP C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001077685413 805766605 /nfs/dbraw/zinc/76/66/05/805766605.db2.gz PXXBNDBNZJIWPO-JHJVBQTASA-N 2 2 299.415 -0.740 20 0 CBADLP C[C@@H](O)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001077685413 805766611 /nfs/dbraw/zinc/76/66/11/805766611.db2.gz PXXBNDBNZJIWPO-JHJVBQTASA-N 2 2 299.415 -0.740 20 0 CBADLP C[C@@H](O)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001077685413 805766618 /nfs/dbraw/zinc/76/66/18/805766618.db2.gz PXXBNDBNZJIWPO-JHJVBQTASA-N 2 2 299.415 -0.740 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@H+](CCCF)C[C@H]1O ZINC001078008777 805824270 /nfs/dbraw/zinc/82/42/70/805824270.db2.gz WWOGNZRTYPMAGR-VXGBXAGGSA-N 2 2 284.335 -0.517 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@@H+](CCCF)C[C@H]1O ZINC001078008777 805824281 /nfs/dbraw/zinc/82/42/81/805824281.db2.gz WWOGNZRTYPMAGR-VXGBXAGGSA-N 2 2 284.335 -0.517 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[C@H]([NH2+]CCO)C12CCC2 ZINC001078825614 805891837 /nfs/dbraw/zinc/89/18/37/805891837.db2.gz FEDJZAXREVTQJB-NWDGAFQWSA-N 2 2 278.356 -0.108 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NCC[NH2+]Cc1ccnn1C ZINC001147900276 814926644 /nfs/dbraw/zinc/92/66/44/814926644.db2.gz LGVFKYLXYBACIG-UHFFFAOYSA-N 2 2 276.344 -0.398 20 0 CBADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC(N)=O)C[C@H]1C ZINC001079687575 805939504 /nfs/dbraw/zinc/93/95/04/805939504.db2.gz RMMVSNNONXMEHV-UPJWGTAASA-N 2 2 296.415 -0.219 20 0 CBADLP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC(N)=O)C[C@H]1C ZINC001079687575 805939507 /nfs/dbraw/zinc/93/95/07/805939507.db2.gz RMMVSNNONXMEHV-UPJWGTAASA-N 2 2 296.415 -0.219 20 0 CBADLP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C ZINC001079687575 805939511 /nfs/dbraw/zinc/93/95/11/805939511.db2.gz RMMVSNNONXMEHV-UPJWGTAASA-N 2 2 296.415 -0.219 20 0 CBADLP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C ZINC001079687575 805939514 /nfs/dbraw/zinc/93/95/14/805939514.db2.gz RMMVSNNONXMEHV-UPJWGTAASA-N 2 2 296.415 -0.219 20 0 CBADLP CCCNC(=O)[C@H](C)[NH2+]CCNC(=O)Cc1c[nH+]cn1C ZINC001147914652 814926984 /nfs/dbraw/zinc/92/69/84/814926984.db2.gz DZVIUGUKMXROKH-NSHDSACASA-N 2 2 295.387 -0.417 20 0 CBADLP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC(N)=O)C[C@H]1C ZINC001079805489 805946842 /nfs/dbraw/zinc/94/68/42/805946842.db2.gz STEKVAUHQXRVEA-UPJWGTAASA-N 2 2 296.415 -0.217 20 0 CBADLP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC(N)=O)C[C@H]1C ZINC001079805489 805946849 /nfs/dbraw/zinc/94/68/49/805946849.db2.gz STEKVAUHQXRVEA-UPJWGTAASA-N 2 2 296.415 -0.217 20 0 CBADLP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C ZINC001079805489 805946854 /nfs/dbraw/zinc/94/68/54/805946854.db2.gz STEKVAUHQXRVEA-UPJWGTAASA-N 2 2 296.415 -0.217 20 0 CBADLP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C ZINC001079805489 805946859 /nfs/dbraw/zinc/94/68/59/805946859.db2.gz STEKVAUHQXRVEA-UPJWGTAASA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001080037980 805957464 /nfs/dbraw/zinc/95/74/64/805957464.db2.gz WXMQZBFITDUFBN-VXGBXAGGSA-N 2 2 294.399 -0.463 20 0 CBADLP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001080037980 805957466 /nfs/dbraw/zinc/95/74/66/805957466.db2.gz WXMQZBFITDUFBN-VXGBXAGGSA-N 2 2 294.399 -0.463 20 0 CBADLP C[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001080782457 806010472 /nfs/dbraw/zinc/01/04/72/806010472.db2.gz KYBIWOHZABHMBL-ZYHUDNBSSA-N 2 2 266.345 -0.609 20 0 CBADLP C[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001080782457 806010481 /nfs/dbraw/zinc/01/04/81/806010481.db2.gz KYBIWOHZABHMBL-ZYHUDNBSSA-N 2 2 266.345 -0.609 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001081038012 806025259 /nfs/dbraw/zinc/02/52/59/806025259.db2.gz KGVSEHNCIRHGAX-IJLUTSLNSA-N 2 2 293.371 -0.546 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001081038012 806025268 /nfs/dbraw/zinc/02/52/68/806025268.db2.gz KGVSEHNCIRHGAX-IJLUTSLNSA-N 2 2 293.371 -0.546 20 0 CBADLP CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@H](OC)C1 ZINC001081481302 806088143 /nfs/dbraw/zinc/08/81/43/806088143.db2.gz DBINMHRJUKSLGS-UTUOFQBUSA-N 2 2 271.361 -0.848 20 0 CBADLP CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@H](OC)C1 ZINC001081481302 806088153 /nfs/dbraw/zinc/08/81/53/806088153.db2.gz DBINMHRJUKSLGS-UTUOFQBUSA-N 2 2 271.361 -0.848 20 0 CBADLP CC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)[C@H](OC)C1 ZINC001081481302 806088158 /nfs/dbraw/zinc/08/81/58/806088158.db2.gz DBINMHRJUKSLGS-UTUOFQBUSA-N 2 2 271.361 -0.848 20 0 CBADLP CC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H](OC)C1 ZINC001081481302 806088166 /nfs/dbraw/zinc/08/81/66/806088166.db2.gz DBINMHRJUKSLGS-UTUOFQBUSA-N 2 2 271.361 -0.848 20 0 CBADLP COCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@H](OC)C1 ZINC001081855503 806126962 /nfs/dbraw/zinc/12/69/62/806126962.db2.gz HNUWNESKUBTTGT-MGPQQGTHSA-N 2 2 299.415 -0.068 20 0 CBADLP COCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@H](OC)C1 ZINC001081855503 806126971 /nfs/dbraw/zinc/12/69/71/806126971.db2.gz HNUWNESKUBTTGT-MGPQQGTHSA-N 2 2 299.415 -0.068 20 0 CBADLP COCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)[C@H](OC)C1 ZINC001081855503 806126980 /nfs/dbraw/zinc/12/69/80/806126980.db2.gz HNUWNESKUBTTGT-MGPQQGTHSA-N 2 2 299.415 -0.068 20 0 CBADLP COCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)[C@H](OC)C1 ZINC001081855503 806126989 /nfs/dbraw/zinc/12/69/89/806126989.db2.gz HNUWNESKUBTTGT-MGPQQGTHSA-N 2 2 299.415 -0.068 20 0 CBADLP CO[C@@H]1C[N@H+](CCCO)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001082326411 806164658 /nfs/dbraw/zinc/16/46/58/806164658.db2.gz BSMQLKPOTCGOML-CHWSQXEVSA-N 2 2 296.371 -0.840 20 0 CBADLP CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001082326411 806164665 /nfs/dbraw/zinc/16/46/65/806164665.db2.gz BSMQLKPOTCGOML-CHWSQXEVSA-N 2 2 296.371 -0.840 20 0 CBADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCO)C[C@H]1OC ZINC001082384752 806170905 /nfs/dbraw/zinc/17/09/05/806170905.db2.gz KIZUYFLMLPYALW-MGPQQGTHSA-N 2 2 299.415 -0.332 20 0 CBADLP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCO)C[C@H]1OC ZINC001082384752 806170911 /nfs/dbraw/zinc/17/09/11/806170911.db2.gz KIZUYFLMLPYALW-MGPQQGTHSA-N 2 2 299.415 -0.332 20 0 CBADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1OC ZINC001082384752 806170915 /nfs/dbraw/zinc/17/09/15/806170915.db2.gz KIZUYFLMLPYALW-MGPQQGTHSA-N 2 2 299.415 -0.332 20 0 CBADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1OC ZINC001082384752 806170918 /nfs/dbraw/zinc/17/09/18/806170918.db2.gz KIZUYFLMLPYALW-MGPQQGTHSA-N 2 2 299.415 -0.332 20 0 CBADLP C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1[NH2+]CC(N)=O ZINC001082492851 806182909 /nfs/dbraw/zinc/18/29/09/806182909.db2.gz MWGBIKZBIALIFH-NXEZZACHSA-N 2 2 279.344 -0.736 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1[NH2+]CC(N)=O ZINC001082572468 806186626 /nfs/dbraw/zinc/18/66/26/806186626.db2.gz DKGNAPVOWHGWAK-DNRKLUKYSA-N 2 2 291.355 -0.565 20 0 CBADLP C[C@H](CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(N)=O)C1)n1cc[nH+]c1 ZINC001082771565 806193212 /nfs/dbraw/zinc/19/32/12/806193212.db2.gz HIZYSSZOYAZKIL-IJLUTSLNSA-N 2 2 293.371 -0.244 20 0 CBADLP CC(C)[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+](C)CCO3)[C@H]2C1 ZINC001083035015 806217709 /nfs/dbraw/zinc/21/77/09/806217709.db2.gz APFHHKUSPGDPLB-BFHYXJOUSA-N 2 2 297.399 -0.363 20 0 CBADLP CC(C)[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+](C)CCO3)[C@H]2C1 ZINC001083035015 806217717 /nfs/dbraw/zinc/21/77/17/806217717.db2.gz APFHHKUSPGDPLB-BFHYXJOUSA-N 2 2 297.399 -0.363 20 0 CBADLP CC(C)[NH+]1C[C@H]2OCCN(C(=O)[C@H]3C[N@H+](C)CCO3)[C@H]2C1 ZINC001083035015 806217723 /nfs/dbraw/zinc/21/77/23/806217723.db2.gz APFHHKUSPGDPLB-BFHYXJOUSA-N 2 2 297.399 -0.363 20 0 CBADLP CC(C)[NH+]1C[C@H]2OCCN(C(=O)[C@H]3C[N@@H+](C)CCO3)[C@H]2C1 ZINC001083035015 806217733 /nfs/dbraw/zinc/21/77/33/806217733.db2.gz APFHHKUSPGDPLB-BFHYXJOUSA-N 2 2 297.399 -0.363 20 0 CBADLP C[C@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)Cn3cc[nH+]c3)[C@H]2C1 ZINC001083290707 806245125 /nfs/dbraw/zinc/24/51/25/806245125.db2.gz QUNKUDUYNNQGNR-RWMBFGLXSA-N 2 2 294.355 -0.825 20 0 CBADLP C[C@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)Cn3cc[nH+]c3)[C@H]2C1 ZINC001083290707 806245127 /nfs/dbraw/zinc/24/51/27/806245127.db2.gz QUNKUDUYNNQGNR-RWMBFGLXSA-N 2 2 294.355 -0.825 20 0 CBADLP COCC[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCCC3)[C@H]2C1 ZINC001083275355 806246216 /nfs/dbraw/zinc/24/62/16/806246216.db2.gz ZEBUHEDQWHHXKT-UONOGXRCSA-N 2 2 297.399 -0.360 20 0 CBADLP COCC[N@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCCC3)[C@H]2C1 ZINC001083275355 806246224 /nfs/dbraw/zinc/24/62/24/806246224.db2.gz ZEBUHEDQWHHXKT-UONOGXRCSA-N 2 2 297.399 -0.360 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CCO[C@@H]2C[N@@H+](CCCO)C[C@@H]21 ZINC001083290557 806246427 /nfs/dbraw/zinc/24/64/27/806246427.db2.gz HXXSNAVSQCANBT-QWHCGFSZSA-N 2 2 294.355 -0.823 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CCO[C@@H]2C[N@H+](CCCO)C[C@@H]21 ZINC001083290557 806246430 /nfs/dbraw/zinc/24/64/30/806246430.db2.gz HXXSNAVSQCANBT-QWHCGFSZSA-N 2 2 294.355 -0.823 20 0 CBADLP CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001084251594 806506481 /nfs/dbraw/zinc/50/64/81/806506481.db2.gz UBJZRHNLEVXDJV-JHJVBQTASA-N 2 2 267.373 -0.130 20 0 CBADLP CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001084251594 806506484 /nfs/dbraw/zinc/50/64/84/806506484.db2.gz UBJZRHNLEVXDJV-JHJVBQTASA-N 2 2 267.373 -0.130 20 0 CBADLP CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001084251594 806506491 /nfs/dbraw/zinc/50/64/91/806506491.db2.gz UBJZRHNLEVXDJV-JHJVBQTASA-N 2 2 267.373 -0.130 20 0 CBADLP CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC001084251594 806506499 /nfs/dbraw/zinc/50/64/99/806506499.db2.gz UBJZRHNLEVXDJV-JHJVBQTASA-N 2 2 267.373 -0.130 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CC[N@H+](CC(N)=O)C[C@H]21 ZINC001084523795 806522968 /nfs/dbraw/zinc/52/29/68/806522968.db2.gz XTKGMXOMZRRIBD-VXGBXAGGSA-N 2 2 291.355 -0.790 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CC[N@@H+](CC(N)=O)C[C@H]21 ZINC001084523795 806522975 /nfs/dbraw/zinc/52/29/75/806522975.db2.gz XTKGMXOMZRRIBD-VXGBXAGGSA-N 2 2 291.355 -0.790 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001084830377 806538415 /nfs/dbraw/zinc/53/84/15/806538415.db2.gz TYJSXVISCXUWAX-JHJVBQTASA-N 2 2 294.399 -0.783 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001084830377 806538421 /nfs/dbraw/zinc/53/84/21/806538421.db2.gz TYJSXVISCXUWAX-JHJVBQTASA-N 2 2 294.399 -0.783 20 0 CBADLP CNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001084830377 806538422 /nfs/dbraw/zinc/53/84/22/806538422.db2.gz TYJSXVISCXUWAX-JHJVBQTASA-N 2 2 294.399 -0.783 20 0 CBADLP CNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001084830377 806538425 /nfs/dbraw/zinc/53/84/25/806538425.db2.gz TYJSXVISCXUWAX-JHJVBQTASA-N 2 2 294.399 -0.783 20 0 CBADLP COCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001085531084 806572911 /nfs/dbraw/zinc/57/29/11/806572911.db2.gz MDBHFYMJSTUKBS-CHWSQXEVSA-N 2 2 285.388 -0.504 20 0 CBADLP COCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001085531084 806572917 /nfs/dbraw/zinc/57/29/17/806572917.db2.gz MDBHFYMJSTUKBS-CHWSQXEVSA-N 2 2 285.388 -0.504 20 0 CBADLP COCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001085531084 806572922 /nfs/dbraw/zinc/57/29/22/806572922.db2.gz MDBHFYMJSTUKBS-CHWSQXEVSA-N 2 2 285.388 -0.504 20 0 CBADLP COCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001085531084 806572927 /nfs/dbraw/zinc/57/29/27/806572927.db2.gz MDBHFYMJSTUKBS-CHWSQXEVSA-N 2 2 285.388 -0.504 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CC[C@@H]1CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001085927702 806623805 /nfs/dbraw/zinc/62/38/05/806623805.db2.gz FDKVXOKFQDEGHZ-VXGBXAGGSA-N 2 2 294.399 -0.511 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CC[C@@H]1CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001085927702 806623818 /nfs/dbraw/zinc/62/38/18/806623818.db2.gz FDKVXOKFQDEGHZ-VXGBXAGGSA-N 2 2 294.399 -0.511 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)N(C)C[C@H]2CC[NH+]2CCO)C1 ZINC001085982270 806630392 /nfs/dbraw/zinc/63/03/92/806630392.db2.gz GNCQNAIIFYBVGC-OLZOCXBDSA-N 2 2 285.388 -0.768 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)N(C)C[C@H]2CC[NH+]2CCO)C1 ZINC001085982270 806630395 /nfs/dbraw/zinc/63/03/95/806630395.db2.gz GNCQNAIIFYBVGC-OLZOCXBDSA-N 2 2 285.388 -0.768 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)N(C)C[C@H]2CC[N@@H+]2CCO)C1 ZINC001085982270 806630400 /nfs/dbraw/zinc/63/04/00/806630400.db2.gz GNCQNAIIFYBVGC-OLZOCXBDSA-N 2 2 285.388 -0.768 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)N(C)C[C@H]2CC[N@H+]2CCO)C1 ZINC001085982270 806630403 /nfs/dbraw/zinc/63/04/03/806630403.db2.gz GNCQNAIIFYBVGC-OLZOCXBDSA-N 2 2 285.388 -0.768 20 0 CBADLP CN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)C1=O ZINC001022776152 798840625 /nfs/dbraw/zinc/84/06/25/798840625.db2.gz UVQBLGNSXNTORZ-UMNHJUIQSA-N 2 2 291.355 -0.580 20 0 CBADLP CN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)C1=O ZINC001022776151 798840803 /nfs/dbraw/zinc/84/08/03/798840803.db2.gz UVQBLGNSXNTORZ-JFGNBEQYSA-N 2 2 291.355 -0.580 20 0 CBADLP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1)C(N)=O ZINC001022886949 798863432 /nfs/dbraw/zinc/86/34/32/798863432.db2.gz UHCVIHGZPJRCGZ-XHNCKOQMSA-N 2 2 265.317 -0.937 20 0 CBADLP C[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001022889054 798864083 /nfs/dbraw/zinc/86/40/83/798864083.db2.gz XKGPPKAQYMMOLD-LPEHRKFASA-N 2 2 252.318 -0.430 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@@H]([NH2+]CCn2cncn2)C1 ZINC001023160822 798887705 /nfs/dbraw/zinc/88/77/05/798887705.db2.gz DBJZUALSNZLVSD-TXEJJXNPSA-N 2 2 289.343 -0.588 20 0 CBADLP CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C1)C(N)=O ZINC001023160798 798888395 /nfs/dbraw/zinc/88/83/95/798888395.db2.gz BSQFVCWDYDPXRT-OUAUKWLOSA-N 2 2 279.344 -0.616 20 0 CBADLP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCCC[NH+]2CC(N)=O)C1 ZINC001024800394 798947618 /nfs/dbraw/zinc/94/76/18/798947618.db2.gz DTZOUKQKYMKBFE-NWDGAFQWSA-N 2 2 282.388 -0.606 20 0 CBADLP C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCCC[NH+]2CC(N)=O)C1 ZINC001024800394 798947622 /nfs/dbraw/zinc/94/76/22/798947622.db2.gz DTZOUKQKYMKBFE-NWDGAFQWSA-N 2 2 282.388 -0.606 20 0 CBADLP C[NH+]1CC[C@H](C(=O)NC[C@H]2CCCC[N@@H+]2CC(N)=O)C1 ZINC001024800394 798947627 /nfs/dbraw/zinc/94/76/27/798947627.db2.gz DTZOUKQKYMKBFE-NWDGAFQWSA-N 2 2 282.388 -0.606 20 0 CBADLP C[NH+]1CC[C@H](C(=O)NC[C@H]2CCCC[N@H+]2CC(N)=O)C1 ZINC001024800394 798947631 /nfs/dbraw/zinc/94/76/31/798947631.db2.gz DTZOUKQKYMKBFE-NWDGAFQWSA-N 2 2 282.388 -0.606 20 0 CBADLP NC(=O)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]12 ZINC001026365982 799001728 /nfs/dbraw/zinc/00/17/28/799001728.db2.gz DSDHBMJIRSDDAS-YUSALJHKSA-N 2 2 291.355 -0.736 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2CC[C@H]([NH2+]CCO)[C@H]2C1 ZINC001026366984 799002204 /nfs/dbraw/zinc/00/22/04/799002204.db2.gz RSQAOBLBBSTODP-DRZSPHRISA-N 2 2 278.356 -0.229 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2CC[C@@H]([NH2+]CCO)[C@@H]2C1 ZINC001026401198 799002614 /nfs/dbraw/zinc/00/26/14/799002614.db2.gz VLBRDJCJJDSPJO-IACUBPJLSA-N 2 2 292.383 -0.219 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H](C[NH2+]Cc2cnon2)C1 ZINC001027245313 799033692 /nfs/dbraw/zinc/03/36/92/799033692.db2.gz QZSVOOQRQQGKNO-NSHDSACASA-N 2 2 290.327 -0.096 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N1CCC[C@@H]([N@H+](C)CC(N)=O)C1 ZINC001027493179 799053178 /nfs/dbraw/zinc/05/31/78/799053178.db2.gz AHRPPBXURVXYAK-GFCCVEGCSA-N 2 2 293.371 -0.400 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N1CCC[C@@H]([N@@H+](C)CC(N)=O)C1 ZINC001027493179 799053181 /nfs/dbraw/zinc/05/31/81/799053181.db2.gz AHRPPBXURVXYAK-GFCCVEGCSA-N 2 2 293.371 -0.400 20 0 CBADLP C[C@H](C(N)=O)[N@H+](C)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001027702275 799065765 /nfs/dbraw/zinc/06/57/65/799065765.db2.gz ZYHWITGLSLHHJV-NEPJUHHUSA-N 2 2 293.371 -0.320 20 0 CBADLP C[C@H](C(N)=O)[N@@H+](C)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001027702275 799065772 /nfs/dbraw/zinc/06/57/72/799065772.db2.gz ZYHWITGLSLHHJV-NEPJUHHUSA-N 2 2 293.371 -0.320 20 0 CBADLP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CC(N)=O ZINC001027917430 799092722 /nfs/dbraw/zinc/09/27/22/799092722.db2.gz AYYYUJNDFQPJEC-OLZOCXBDSA-N 2 2 296.415 -0.073 20 0 CBADLP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CC(N)=O ZINC001027917430 799092729 /nfs/dbraw/zinc/09/27/29/799092729.db2.gz AYYYUJNDFQPJEC-OLZOCXBDSA-N 2 2 296.415 -0.073 20 0 CBADLP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC(N)=O ZINC001027917430 799092737 /nfs/dbraw/zinc/09/27/37/799092737.db2.gz AYYYUJNDFQPJEC-OLZOCXBDSA-N 2 2 296.415 -0.073 20 0 CBADLP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CC(N)=O ZINC001027917430 799092744 /nfs/dbraw/zinc/09/27/44/799092744.db2.gz AYYYUJNDFQPJEC-OLZOCXBDSA-N 2 2 296.415 -0.073 20 0 CBADLP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CC[NH+](Cc3cnon3)C2)C1 ZINC001028987596 799184160 /nfs/dbraw/zinc/18/41/60/799184160.db2.gz ZCZZUKQXZZBCMA-NWDGAFQWSA-N 2 2 293.371 -0.041 20 0 CBADLP C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CC[NH+](Cc3cnon3)C2)C1 ZINC001028987596 799184164 /nfs/dbraw/zinc/18/41/64/799184164.db2.gz ZCZZUKQXZZBCMA-NWDGAFQWSA-N 2 2 293.371 -0.041 20 0 CBADLP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CC[N@H+](Cc3cnon3)C2)C1 ZINC001028987596 799184166 /nfs/dbraw/zinc/18/41/66/799184166.db2.gz ZCZZUKQXZZBCMA-NWDGAFQWSA-N 2 2 293.371 -0.041 20 0 CBADLP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CC[N@@H+](Cc3cnon3)C2)C1 ZINC001028987596 799184169 /nfs/dbraw/zinc/18/41/69/799184169.db2.gz ZCZZUKQXZZBCMA-NWDGAFQWSA-N 2 2 293.371 -0.041 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCO ZINC001029491944 799201053 /nfs/dbraw/zinc/20/10/53/799201053.db2.gz BDRLPUPEHPCCPO-TXEJJXNPSA-N 2 2 264.329 -0.380 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO ZINC001029491944 799201059 /nfs/dbraw/zinc/20/10/59/799201059.db2.gz BDRLPUPEHPCCPO-TXEJJXNPSA-N 2 2 264.329 -0.380 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001030025658 799214437 /nfs/dbraw/zinc/21/44/37/799214437.db2.gz INJMKZAAITWOCR-YNEHKIRRSA-N 2 2 296.415 -0.204 20 0 CBADLP CNC(=O)[C@H](C)[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001030025658 799214445 /nfs/dbraw/zinc/21/44/45/799214445.db2.gz INJMKZAAITWOCR-YNEHKIRRSA-N 2 2 296.415 -0.204 20 0 CBADLP CNC(=O)[C@H](C)[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001030025658 799214447 /nfs/dbraw/zinc/21/44/47/799214447.db2.gz INJMKZAAITWOCR-YNEHKIRRSA-N 2 2 296.415 -0.204 20 0 CBADLP CNC(=O)[C@H](C)[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001030025658 799214451 /nfs/dbraw/zinc/21/44/51/799214451.db2.gz INJMKZAAITWOCR-YNEHKIRRSA-N 2 2 296.415 -0.204 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001030032230 799216475 /nfs/dbraw/zinc/21/64/75/799216475.db2.gz INJMKZAAITWOCR-FRRDWIJNSA-N 2 2 296.415 -0.204 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001030032230 799216479 /nfs/dbraw/zinc/21/64/79/799216479.db2.gz INJMKZAAITWOCR-FRRDWIJNSA-N 2 2 296.415 -0.204 20 0 CBADLP CNC(=O)[C@@H](C)[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001030032230 799216484 /nfs/dbraw/zinc/21/64/84/799216484.db2.gz INJMKZAAITWOCR-FRRDWIJNSA-N 2 2 296.415 -0.204 20 0 CBADLP CNC(=O)[C@@H](C)[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001030032230 799216489 /nfs/dbraw/zinc/21/64/89/799216489.db2.gz INJMKZAAITWOCR-FRRDWIJNSA-N 2 2 296.415 -0.204 20 0 CBADLP COC[C@H](C)[NH+]1CC(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001030160073 799251711 /nfs/dbraw/zinc/25/17/11/799251711.db2.gz AFMNAULKBMFMPN-CMPLNLGQSA-N 2 2 255.362 -0.084 20 0 CBADLP COC[C@H](C)[NH+]1CC(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001030160073 799251714 /nfs/dbraw/zinc/25/17/14/799251714.db2.gz AFMNAULKBMFMPN-CMPLNLGQSA-N 2 2 255.362 -0.084 20 0 CBADLP O=C(NC1C[NH+](CCO)C1)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001030306134 799294061 /nfs/dbraw/zinc/29/40/61/799294061.db2.gz KSOGIOBNWSZNOQ-AAEUAGOBSA-N 2 2 267.373 -0.347 20 0 CBADLP O=C(NC1C[NH+](CCO)C1)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001030306134 799294065 /nfs/dbraw/zinc/29/40/65/799294065.db2.gz KSOGIOBNWSZNOQ-AAEUAGOBSA-N 2 2 267.373 -0.347 20 0 CBADLP COCC[NH+]1CC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001030336803 799298784 /nfs/dbraw/zinc/29/87/84/799298784.db2.gz UELWTHDWECZVGB-ZYHUDNBSSA-N 2 2 255.362 -0.227 20 0 CBADLP COCC[NH+]1CC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001030336803 799298790 /nfs/dbraw/zinc/29/87/90/799298790.db2.gz UELWTHDWECZVGB-ZYHUDNBSSA-N 2 2 255.362 -0.227 20 0 CBADLP COCC[NH+]1CC(NC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001030345695 799301319 /nfs/dbraw/zinc/30/13/19/799301319.db2.gz GDXQVHKATUQBBO-OLZOCXBDSA-N 2 2 283.372 -0.704 20 0 CBADLP COCC[NH+]1CC(NC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001030345695 799301324 /nfs/dbraw/zinc/30/13/24/799301324.db2.gz GDXQVHKATUQBBO-OLZOCXBDSA-N 2 2 283.372 -0.704 20 0 CBADLP COCC[NH+]1CC(NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001030705310 799364599 /nfs/dbraw/zinc/36/45/99/799364599.db2.gz USVCXMMIMLLKBA-GLWUULTISA-N 2 2 295.383 -0.704 20 0 CBADLP COCC[NH+]1CC(NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001030705310 799364604 /nfs/dbraw/zinc/36/46/04/799364604.db2.gz USVCXMMIMLLKBA-GLWUULTISA-N 2 2 295.383 -0.704 20 0 CBADLP CC1(C)CC[N@H+](CC(=O)NC2C[NH+](CCCO)C2)C1 ZINC001030962079 799420227 /nfs/dbraw/zinc/42/02/27/799420227.db2.gz LUTSXEYJPRISDM-UHFFFAOYSA-N 2 2 269.389 -0.099 20 0 CBADLP CC1(C)CC[N@@H+](CC(=O)NC2C[NH+](CCCO)C2)C1 ZINC001030962079 799420232 /nfs/dbraw/zinc/42/02/32/799420232.db2.gz LUTSXEYJPRISDM-UHFFFAOYSA-N 2 2 269.389 -0.099 20 0 CBADLP CC[NH+]1CC(NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001031085825 799436464 /nfs/dbraw/zinc/43/64/64/799436464.db2.gz YFFRMADOHRNUQF-UHFFFAOYSA-N 2 2 265.361 -0.121 20 0 CBADLP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NC2C[NH+](CCO)C2)C1 ZINC001031257413 799464772 /nfs/dbraw/zinc/46/47/72/799464772.db2.gz RERSVNAKSWJLOY-DGCLKSJQSA-N 2 2 269.389 -0.101 20 0 CBADLP COCC[NH+]1CC(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001031258589 799464967 /nfs/dbraw/zinc/46/49/67/799464967.db2.gz NBHWVKRBLBIYQL-NSHDSACASA-N 2 2 255.362 -0.225 20 0 CBADLP COCC[NH+]1CC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001031258589 799464973 /nfs/dbraw/zinc/46/49/73/799464973.db2.gz NBHWVKRBLBIYQL-NSHDSACASA-N 2 2 255.362 -0.225 20 0 CBADLP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NC2C[NH+](CCO)C2)C1 ZINC001031257414 799465160 /nfs/dbraw/zinc/46/51/60/799465160.db2.gz RERSVNAKSWJLOY-WCQYABFASA-N 2 2 269.389 -0.101 20 0 CBADLP C[NH+](C)[C@H]1CCC[C@H](C(=O)NC2C[NH+](CCO)C2)C1 ZINC001031257412 799465366 /nfs/dbraw/zinc/46/53/66/799465366.db2.gz RERSVNAKSWJLOY-AAEUAGOBSA-N 2 2 269.389 -0.101 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+]([C@H]2CCNC2=O)C1 ZINC001031579899 799512402 /nfs/dbraw/zinc/51/24/02/799512402.db2.gz OAKCFOYTJWJULJ-RYUDHWBXSA-N 2 2 280.372 -0.983 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+]([C@H]2CCNC2=O)C1 ZINC001031579899 799512404 /nfs/dbraw/zinc/51/24/04/799512404.db2.gz OAKCFOYTJWJULJ-RYUDHWBXSA-N 2 2 280.372 -0.983 20 0 CBADLP CNC(=O)[C@H](C)[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001031585438 799513617 /nfs/dbraw/zinc/51/36/17/799513617.db2.gz XQPVSLHIWRLDCY-JQWIXIFHSA-N 2 2 282.388 -0.737 20 0 CBADLP CNC(=O)[C@H](C)[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001031585438 799513619 /nfs/dbraw/zinc/51/36/19/799513619.db2.gz XQPVSLHIWRLDCY-JQWIXIFHSA-N 2 2 282.388 -0.737 20 0 CBADLP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+]([C@H]2CCNC2=O)C1 ZINC001031777202 799542011 /nfs/dbraw/zinc/54/20/11/799542011.db2.gz YHTZVSLFYZBPRK-OLZOCXBDSA-N 2 2 294.399 -0.593 20 0 CBADLP C[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+]([C@H]2CCNC2=O)C1 ZINC001031777202 799542014 /nfs/dbraw/zinc/54/20/14/799542014.db2.gz YHTZVSLFYZBPRK-OLZOCXBDSA-N 2 2 294.399 -0.593 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2C[NH+](CCF)C2)O1 ZINC001031765729 799542355 /nfs/dbraw/zinc/54/23/55/799542355.db2.gz NKODMUCNMLJZRN-ZYHUDNBSSA-N 2 2 273.352 -0.277 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2C[NH+](CCF)C2)O1 ZINC001031765729 799542363 /nfs/dbraw/zinc/54/23/63/799542363.db2.gz NKODMUCNMLJZRN-ZYHUDNBSSA-N 2 2 273.352 -0.277 20 0 CBADLP C[C@@H](O)C[NH+]1CC(CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001031800161 799545289 /nfs/dbraw/zinc/54/52/89/799545289.db2.gz UXMJXWOXAPZASK-SNVBAGLBSA-N 2 2 296.371 -0.221 20 0 CBADLP C[NH+](C)Cc1cc(C(=O)NCC2C[NH+](CCO)C2)no1 ZINC001031800180 799545901 /nfs/dbraw/zinc/54/59/01/799545901.db2.gz VMINLOCZUGZCNK-UHFFFAOYSA-N 2 2 282.344 -0.610 20 0 CBADLP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1C[NH+](CC(=O)N(C)C)C1 ZINC001031976258 799568270 /nfs/dbraw/zinc/56/82/70/799568270.db2.gz HYPNWEDTOZPOOE-AAEUAGOBSA-N 2 2 296.415 -0.680 20 0 CBADLP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1C[NH+](CC(=O)N(C)C)C1 ZINC001031976258 799568275 /nfs/dbraw/zinc/56/82/75/799568275.db2.gz HYPNWEDTOZPOOE-AAEUAGOBSA-N 2 2 296.415 -0.680 20 0 CBADLP C[C@@H](O)C[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001031987148 799569412 /nfs/dbraw/zinc/56/94/12/799569412.db2.gz VKKHKJGYIDXKJX-RAIGVLPGSA-N 2 2 292.383 -0.048 20 0 CBADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001032205685 799593938 /nfs/dbraw/zinc/59/39/38/799593938.db2.gz FMBZDYLZDKFIEU-WCQYABFASA-N 2 2 296.415 -0.217 20 0 CBADLP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+]([C@@H](C)C(N)=O)C1 ZINC001032205685 799593940 /nfs/dbraw/zinc/59/39/40/799593940.db2.gz FMBZDYLZDKFIEU-WCQYABFASA-N 2 2 296.415 -0.217 20 0 CBADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1C[C@@H]2C[C@H]1C[N@H+]2CCO ZINC001032485426 799632580 /nfs/dbraw/zinc/63/25/80/799632580.db2.gz PAEAQHWUOYNSSZ-XBFCOCLRSA-N 2 2 290.367 -0.277 20 0 CBADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCO ZINC001032485426 799632584 /nfs/dbraw/zinc/63/25/84/799632584.db2.gz PAEAQHWUOYNSSZ-XBFCOCLRSA-N 2 2 290.367 -0.277 20 0 CBADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCO)C1 ZINC001032587500 799644699 /nfs/dbraw/zinc/64/46/99/799644699.db2.gz JCMKMPPQBWTUKU-IHRRRGAJSA-N 2 2 297.399 -0.627 20 0 CBADLP CC(C)[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCO)C1 ZINC001032587500 799644703 /nfs/dbraw/zinc/64/47/03/799644703.db2.gz JCMKMPPQBWTUKU-IHRRRGAJSA-N 2 2 297.399 -0.627 20 0 CBADLP CC(C)[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCO)C1 ZINC001032587500 799644710 /nfs/dbraw/zinc/64/47/10/799644710.db2.gz JCMKMPPQBWTUKU-IHRRRGAJSA-N 2 2 297.399 -0.627 20 0 CBADLP CC(C)[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCO)C1 ZINC001032587500 799644714 /nfs/dbraw/zinc/64/47/14/799644714.db2.gz JCMKMPPQBWTUKU-IHRRRGAJSA-N 2 2 297.399 -0.627 20 0 CBADLP C[C@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1c[nH+]cn1C ZINC001032733046 799662654 /nfs/dbraw/zinc/66/26/54/799662654.db2.gz HNRLKPLQCPFWJD-DRZSPHRISA-N 2 2 278.356 -0.372 20 0 CBADLP C[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1c[nH+]cn1C ZINC001032733046 799662660 /nfs/dbraw/zinc/66/26/60/799662660.db2.gz HNRLKPLQCPFWJD-DRZSPHRISA-N 2 2 278.356 -0.372 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H](C)O ZINC001032753892 799663154 /nfs/dbraw/zinc/66/31/54/799663154.db2.gz QUOFTNJJMZBGIH-USWWRNFRSA-N 2 2 278.356 -0.073 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H](C)O ZINC001032753892 799663157 /nfs/dbraw/zinc/66/31/57/799663157.db2.gz QUOFTNJJMZBGIH-USWWRNFRSA-N 2 2 278.356 -0.073 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001032828515 799673789 /nfs/dbraw/zinc/67/37/89/799673789.db2.gz CDMCZOZHSZKRSF-SDDRHHMPSA-N 2 2 282.388 -0.594 20 0 CBADLP CNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001032828515 799673794 /nfs/dbraw/zinc/67/37/94/799673794.db2.gz CDMCZOZHSZKRSF-SDDRHHMPSA-N 2 2 282.388 -0.594 20 0 CBADLP CNC(=O)[C@H](C)[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001032828515 799673797 /nfs/dbraw/zinc/67/37/97/799673797.db2.gz CDMCZOZHSZKRSF-SDDRHHMPSA-N 2 2 282.388 -0.594 20 0 CBADLP CNC(=O)[C@H](C)[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001032828515 799673802 /nfs/dbraw/zinc/67/38/02/799673802.db2.gz CDMCZOZHSZKRSF-SDDRHHMPSA-N 2 2 282.388 -0.594 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001032828514 799674448 /nfs/dbraw/zinc/67/44/48/799674448.db2.gz CDMCZOZHSZKRSF-GRYCIOLGSA-N 2 2 282.388 -0.594 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001032828514 799674452 /nfs/dbraw/zinc/67/44/52/799674452.db2.gz CDMCZOZHSZKRSF-GRYCIOLGSA-N 2 2 282.388 -0.594 20 0 CBADLP CNC(=O)[C@@H](C)[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001032828514 799674458 /nfs/dbraw/zinc/67/44/58/799674458.db2.gz CDMCZOZHSZKRSF-GRYCIOLGSA-N 2 2 282.388 -0.594 20 0 CBADLP CNC(=O)[C@@H](C)[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001032828514 799674462 /nfs/dbraw/zinc/67/44/62/799674462.db2.gz CDMCZOZHSZKRSF-GRYCIOLGSA-N 2 2 282.388 -0.594 20 0 CBADLP C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001032838403 799677303 /nfs/dbraw/zinc/67/73/03/799677303.db2.gz SLGWEEJMCCMPMQ-YNEHKIRRSA-N 2 2 296.415 -0.252 20 0 CBADLP C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001032838403 799677305 /nfs/dbraw/zinc/67/73/05/799677305.db2.gz SLGWEEJMCCMPMQ-YNEHKIRRSA-N 2 2 296.415 -0.252 20 0 CBADLP C[C@@H](C(=O)N(C)C)[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001032838403 799677308 /nfs/dbraw/zinc/67/73/08/799677308.db2.gz SLGWEEJMCCMPMQ-YNEHKIRRSA-N 2 2 296.415 -0.252 20 0 CBADLP C[C@@H](C(=O)N(C)C)[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001032838403 799677310 /nfs/dbraw/zinc/67/73/10/799677310.db2.gz SLGWEEJMCCMPMQ-YNEHKIRRSA-N 2 2 296.415 -0.252 20 0 CBADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](CC(N)=O)C1 ZINC001033073799 799714423 /nfs/dbraw/zinc/71/44/23/799714423.db2.gz SXRJOMJGEJQUNY-QWHCGFSZSA-N 2 2 296.415 -0.123 20 0 CBADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](CC(N)=O)C1 ZINC001033073799 799714425 /nfs/dbraw/zinc/71/44/25/799714425.db2.gz SXRJOMJGEJQUNY-QWHCGFSZSA-N 2 2 296.415 -0.123 20 0 CBADLP CC(C)[NH+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033073799 799714426 /nfs/dbraw/zinc/71/44/26/799714426.db2.gz SXRJOMJGEJQUNY-QWHCGFSZSA-N 2 2 296.415 -0.123 20 0 CBADLP CC(C)[NH+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033073799 799714428 /nfs/dbraw/zinc/71/44/28/799714428.db2.gz SXRJOMJGEJQUNY-QWHCGFSZSA-N 2 2 296.415 -0.123 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[NH+](CC(N)=O)C2)CC[N@@H+]1C ZINC001033100015 799716266 /nfs/dbraw/zinc/71/62/66/799716266.db2.gz VKAWAAPAVBLGDZ-FRRDWIJNSA-N 2 2 296.415 -0.265 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[NH+](CC(N)=O)C2)CC[N@H+]1C ZINC001033100015 799716271 /nfs/dbraw/zinc/71/62/71/799716271.db2.gz VKAWAAPAVBLGDZ-FRRDWIJNSA-N 2 2 296.415 -0.265 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](CC(N)=O)C2)CC[NH+]1C ZINC001033100015 799716274 /nfs/dbraw/zinc/71/62/74/799716274.db2.gz VKAWAAPAVBLGDZ-FRRDWIJNSA-N 2 2 296.415 -0.265 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](CC(N)=O)C2)CC[NH+]1C ZINC001033100015 799716279 /nfs/dbraw/zinc/71/62/79/799716279.db2.gz VKAWAAPAVBLGDZ-FRRDWIJNSA-N 2 2 296.415 -0.265 20 0 CBADLP CN(C(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033199779 799726637 /nfs/dbraw/zinc/72/66/37/799726637.db2.gz YFWSHAXPOLVFLF-RYUDHWBXSA-N 2 2 282.388 -0.511 20 0 CBADLP CN(C(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033199779 799726641 /nfs/dbraw/zinc/72/66/41/799726641.db2.gz YFWSHAXPOLVFLF-RYUDHWBXSA-N 2 2 282.388 -0.511 20 0 CBADLP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@H]1CC[NH+](CC(N)=O)C1 ZINC001033199779 799726644 /nfs/dbraw/zinc/72/66/44/799726644.db2.gz YFWSHAXPOLVFLF-RYUDHWBXSA-N 2 2 282.388 -0.511 20 0 CBADLP CN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@H]1CC[NH+](CC(N)=O)C1 ZINC001033199779 799726650 /nfs/dbraw/zinc/72/66/50/799726650.db2.gz YFWSHAXPOLVFLF-RYUDHWBXSA-N 2 2 282.388 -0.511 20 0 CBADLP CN(C(=O)c1cc(C[NH+](C)C)on1)[C@H]1CC[N@H+](CCO)C1 ZINC001033219120 799728192 /nfs/dbraw/zinc/72/81/92/799728192.db2.gz FRVBMHWTRDRAEM-NSHDSACASA-N 2 2 296.371 -0.125 20 0 CBADLP CN(C(=O)c1cc(C[NH+](C)C)on1)[C@H]1CC[N@@H+](CCO)C1 ZINC001033219120 799728194 /nfs/dbraw/zinc/72/81/94/799728194.db2.gz FRVBMHWTRDRAEM-NSHDSACASA-N 2 2 296.371 -0.125 20 0 CBADLP C[C@H]1C[C@@H](C(=O)N(C)[C@@H]2CC[NH+](CC(N)=O)C2)CC[N@@H+]1C ZINC001033358660 799741571 /nfs/dbraw/zinc/74/15/71/799741571.db2.gz OJJDUABYJODWHI-RWMBFGLXSA-N 2 2 296.415 -0.265 20 0 CBADLP C[C@H]1C[C@@H](C(=O)N(C)[C@@H]2CC[NH+](CC(N)=O)C2)CC[N@H+]1C ZINC001033358660 799741577 /nfs/dbraw/zinc/74/15/77/799741577.db2.gz OJJDUABYJODWHI-RWMBFGLXSA-N 2 2 296.415 -0.265 20 0 CBADLP C[C@H]1C[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](CC(N)=O)C2)CC[NH+]1C ZINC001033358660 799741583 /nfs/dbraw/zinc/74/15/83/799741583.db2.gz OJJDUABYJODWHI-RWMBFGLXSA-N 2 2 296.415 -0.265 20 0 CBADLP C[C@H]1C[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](CC(N)=O)C2)CC[NH+]1C ZINC001033358660 799741586 /nfs/dbraw/zinc/74/15/86/799741586.db2.gz OJJDUABYJODWHI-RWMBFGLXSA-N 2 2 296.415 -0.265 20 0 CBADLP C[C@@H]1CC[N@H+](CC(=O)N(C)[C@@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001033419696 799751900 /nfs/dbraw/zinc/75/19/00/799751900.db2.gz KTWMBGXEHCTBBQ-VXGBXAGGSA-N 2 2 282.388 -0.654 20 0 CBADLP C[C@@H]1CC[N@@H+](CC(=O)N(C)[C@@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001033419696 799751905 /nfs/dbraw/zinc/75/19/05/799751905.db2.gz KTWMBGXEHCTBBQ-VXGBXAGGSA-N 2 2 282.388 -0.654 20 0 CBADLP C[C@@H]1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@H+](CC(N)=O)C2)C1 ZINC001033419696 799751908 /nfs/dbraw/zinc/75/19/08/799751908.db2.gz KTWMBGXEHCTBBQ-VXGBXAGGSA-N 2 2 282.388 -0.654 20 0 CBADLP C[C@@H]1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@@H+](CC(N)=O)C2)C1 ZINC001033419696 799751911 /nfs/dbraw/zinc/75/19/11/799751911.db2.gz KTWMBGXEHCTBBQ-VXGBXAGGSA-N 2 2 282.388 -0.654 20 0 CBADLP C[C@@H]1CCC[N@@H+]1CC(=O)N(C)[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001033414656 799751944 /nfs/dbraw/zinc/75/19/44/799751944.db2.gz DEPANJZUBGFPSB-VXGBXAGGSA-N 2 2 282.388 -0.511 20 0 CBADLP C[C@@H]1CCC[N@H+]1CC(=O)N(C)[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001033414656 799751950 /nfs/dbraw/zinc/75/19/50/799751950.db2.gz DEPANJZUBGFPSB-VXGBXAGGSA-N 2 2 282.388 -0.511 20 0 CBADLP C[C@@H]1CCC[NH+]1CC(=O)N(C)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033414656 799751954 /nfs/dbraw/zinc/75/19/54/799751954.db2.gz DEPANJZUBGFPSB-VXGBXAGGSA-N 2 2 282.388 -0.511 20 0 CBADLP C[C@@H]1CCC[NH+]1CC(=O)N(C)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033414656 799751959 /nfs/dbraw/zinc/75/19/59/799751959.db2.gz DEPANJZUBGFPSB-VXGBXAGGSA-N 2 2 282.388 -0.511 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001033420691 799752121 /nfs/dbraw/zinc/75/21/21/799752121.db2.gz RRYQDVXBIKIAAI-STQMWFEESA-N 2 2 296.415 -0.393 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001033420691 799752125 /nfs/dbraw/zinc/75/21/25/799752125.db2.gz RRYQDVXBIKIAAI-STQMWFEESA-N 2 2 296.415 -0.393 20 0 CBADLP CNC(=O)C[NH+]1CC[C@H](N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001033420691 799752126 /nfs/dbraw/zinc/75/21/26/799752126.db2.gz RRYQDVXBIKIAAI-STQMWFEESA-N 2 2 296.415 -0.393 20 0 CBADLP CNC(=O)C[NH+]1CC[C@H](N(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001033420691 799752131 /nfs/dbraw/zinc/75/21/31/799752131.db2.gz RRYQDVXBIKIAAI-STQMWFEESA-N 2 2 296.415 -0.393 20 0 CBADLP C[C@H]1CCC[N@@H+]1CC(=O)N(C)[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001033414652 799752397 /nfs/dbraw/zinc/75/23/97/799752397.db2.gz DEPANJZUBGFPSB-NWDGAFQWSA-N 2 2 282.388 -0.511 20 0 CBADLP C[C@H]1CCC[N@H+]1CC(=O)N(C)[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001033414652 799752401 /nfs/dbraw/zinc/75/24/01/799752401.db2.gz DEPANJZUBGFPSB-NWDGAFQWSA-N 2 2 282.388 -0.511 20 0 CBADLP C[C@H]1CCC[NH+]1CC(=O)N(C)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033414652 799752407 /nfs/dbraw/zinc/75/24/07/799752407.db2.gz DEPANJZUBGFPSB-NWDGAFQWSA-N 2 2 282.388 -0.511 20 0 CBADLP C[C@H]1CCC[NH+]1CC(=O)N(C)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033414652 799752411 /nfs/dbraw/zinc/75/24/11/799752411.db2.gz DEPANJZUBGFPSB-NWDGAFQWSA-N 2 2 282.388 -0.511 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001033417686 799753280 /nfs/dbraw/zinc/75/32/80/799753280.db2.gz XHCZKDIIUYYIPX-CHWSQXEVSA-N 2 2 296.415 -0.251 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001033417686 799753286 /nfs/dbraw/zinc/75/32/86/799753286.db2.gz XHCZKDIIUYYIPX-CHWSQXEVSA-N 2 2 296.415 -0.251 20 0 CBADLP CNC(=O)C[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001033417686 799753290 /nfs/dbraw/zinc/75/32/90/799753290.db2.gz XHCZKDIIUYYIPX-CHWSQXEVSA-N 2 2 296.415 -0.251 20 0 CBADLP CNC(=O)C[NH+]1CC[C@@H](N(C)C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001033417686 799753294 /nfs/dbraw/zinc/75/32/94/799753294.db2.gz XHCZKDIIUYYIPX-CHWSQXEVSA-N 2 2 296.415 -0.251 20 0 CBADLP CC1CC[NH+](CC(=O)N(C)[C@H]2CC[N@H+](CC(N)=O)C2)CC1 ZINC001033530413 799764602 /nfs/dbraw/zinc/76/46/02/799764602.db2.gz AAEJFBAZUVBUFE-ZDUSSCGKSA-N 2 2 296.415 -0.264 20 0 CBADLP CC1CC[NH+](CC(=O)N(C)[C@H]2CC[N@@H+](CC(N)=O)C2)CC1 ZINC001033530413 799764604 /nfs/dbraw/zinc/76/46/04/799764604.db2.gz AAEJFBAZUVBUFE-ZDUSSCGKSA-N 2 2 296.415 -0.264 20 0 CBADLP CC1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@H+](CC(N)=O)C2)CC1 ZINC001033530412 799764915 /nfs/dbraw/zinc/76/49/15/799764915.db2.gz AAEJFBAZUVBUFE-CYBMUJFWSA-N 2 2 296.415 -0.264 20 0 CBADLP CC1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@@H+](CC(N)=O)C2)CC1 ZINC001033530412 799764922 /nfs/dbraw/zinc/76/49/22/799764922.db2.gz AAEJFBAZUVBUFE-CYBMUJFWSA-N 2 2 296.415 -0.264 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033659507 799778219 /nfs/dbraw/zinc/77/82/19/799778219.db2.gz YAFCPYDDKWGCCC-NEPJUHHUSA-N 2 2 282.388 -0.511 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033659507 799778224 /nfs/dbraw/zinc/77/82/24/799778224.db2.gz YAFCPYDDKWGCCC-NEPJUHHUSA-N 2 2 282.388 -0.511 20 0 CBADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001033684382 799780404 /nfs/dbraw/zinc/78/04/04/799780404.db2.gz DYVJVHDHCJNHBL-CHWSQXEVSA-N 2 2 296.415 -0.121 20 0 CBADLP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001033684382 799780409 /nfs/dbraw/zinc/78/04/09/799780409.db2.gz DYVJVHDHCJNHBL-CHWSQXEVSA-N 2 2 296.415 -0.121 20 0 CBADLP CC[NH+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001033684382 799780416 /nfs/dbraw/zinc/78/04/16/799780416.db2.gz DYVJVHDHCJNHBL-CHWSQXEVSA-N 2 2 296.415 -0.121 20 0 CBADLP CC[NH+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033684382 799780420 /nfs/dbraw/zinc/78/04/20/799780420.db2.gz DYVJVHDHCJNHBL-CHWSQXEVSA-N 2 2 296.415 -0.121 20 0 CBADLP CN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@H+](CCCO)C1 ZINC001033704359 799783608 /nfs/dbraw/zinc/78/36/08/799783608.db2.gz UBRCZJTXUVDZRA-GFCCVEGCSA-N 2 2 266.345 -0.202 20 0 CBADLP CN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@@H+](CCCO)C1 ZINC001033704359 799783610 /nfs/dbraw/zinc/78/36/10/799783610.db2.gz UBRCZJTXUVDZRA-GFCCVEGCSA-N 2 2 266.345 -0.202 20 0 CBADLP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033778266 799790639 /nfs/dbraw/zinc/79/06/39/799790639.db2.gz ZKVJDGJBLICQRC-NWDGAFQWSA-N 2 2 282.388 -0.511 20 0 CBADLP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033778266 799790642 /nfs/dbraw/zinc/79/06/42/799790642.db2.gz ZKVJDGJBLICQRC-NWDGAFQWSA-N 2 2 282.388 -0.511 20 0 CBADLP CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](CC(N)=O)C1 ZINC001033778266 799790645 /nfs/dbraw/zinc/79/06/45/799790645.db2.gz ZKVJDGJBLICQRC-NWDGAFQWSA-N 2 2 282.388 -0.511 20 0 CBADLP CCN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CC[NH+](CC(N)=O)C1 ZINC001033778266 799790648 /nfs/dbraw/zinc/79/06/48/799790648.db2.gz ZKVJDGJBLICQRC-NWDGAFQWSA-N 2 2 282.388 -0.511 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CC(N)=O)C1 ZINC001034140141 799816023 /nfs/dbraw/zinc/81/60/23/799816023.db2.gz XQVGMKPGTNPNME-VXGBXAGGSA-N 2 2 282.388 -0.463 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CC(N)=O)C1 ZINC001034140141 799816028 /nfs/dbraw/zinc/81/60/28/799816028.db2.gz XQVGMKPGTNPNME-VXGBXAGGSA-N 2 2 282.388 -0.463 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](CC(N)=O)C1 ZINC001034140141 799816032 /nfs/dbraw/zinc/81/60/32/799816032.db2.gz XQVGMKPGTNPNME-VXGBXAGGSA-N 2 2 282.388 -0.463 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](CC(N)=O)C1 ZINC001034140141 799816038 /nfs/dbraw/zinc/81/60/38/799816038.db2.gz XQVGMKPGTNPNME-VXGBXAGGSA-N 2 2 282.388 -0.463 20 0 CBADLP CNC(=O)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001034129122 799816924 /nfs/dbraw/zinc/81/69/24/799816924.db2.gz AHHUXMGJSUMWPE-STQMWFEESA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001034129122 799816927 /nfs/dbraw/zinc/81/69/27/799816927.db2.gz AHHUXMGJSUMWPE-STQMWFEESA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001034129122 799816933 /nfs/dbraw/zinc/81/69/33/799816933.db2.gz AHHUXMGJSUMWPE-STQMWFEESA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001034129122 799816941 /nfs/dbraw/zinc/81/69/41/799816941.db2.gz AHHUXMGJSUMWPE-STQMWFEESA-N 2 2 296.415 -0.203 20 0 CBADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CCCC[NH+](CC(N)=O)C2)C1 ZINC001034394103 799834509 /nfs/dbraw/zinc/83/45/09/799834509.db2.gz JIJVZSAWIIJBIT-CHWSQXEVSA-N 2 2 296.415 -0.216 20 0 CBADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCC[NH+](CC(N)=O)C2)C1 ZINC001034394103 799834515 /nfs/dbraw/zinc/83/45/15/799834515.db2.gz JIJVZSAWIIJBIT-CHWSQXEVSA-N 2 2 296.415 -0.216 20 0 CBADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CCCC[N@H+](CC(N)=O)C2)C1 ZINC001034394103 799834522 /nfs/dbraw/zinc/83/45/22/799834522.db2.gz JIJVZSAWIIJBIT-CHWSQXEVSA-N 2 2 296.415 -0.216 20 0 CBADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CCCC[N@@H+](CC(N)=O)C2)C1 ZINC001034394103 799834529 /nfs/dbraw/zinc/83/45/29/799834529.db2.gz JIJVZSAWIIJBIT-CHWSQXEVSA-N 2 2 296.415 -0.216 20 0 CBADLP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1CCCC[NH+](CC(N)=O)C1 ZINC001034400373 799838727 /nfs/dbraw/zinc/83/87/27/799838727.db2.gz XMUMOBLKEYGFKA-STQMWFEESA-N 2 2 296.415 -0.073 20 0 CBADLP C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1CCCC[NH+](CC(N)=O)C1 ZINC001034400373 799838734 /nfs/dbraw/zinc/83/87/34/799838734.db2.gz XMUMOBLKEYGFKA-STQMWFEESA-N 2 2 296.415 -0.073 20 0 CBADLP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1CCCC[N@H+](CC(N)=O)C1 ZINC001034400373 799838741 /nfs/dbraw/zinc/83/87/41/799838741.db2.gz XMUMOBLKEYGFKA-STQMWFEESA-N 2 2 296.415 -0.073 20 0 CBADLP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1CCCC[N@@H+](CC(N)=O)C1 ZINC001034400373 799838745 /nfs/dbraw/zinc/83/87/45/799838745.db2.gz XMUMOBLKEYGFKA-STQMWFEESA-N 2 2 296.415 -0.073 20 0 CBADLP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCCC[NH+](CC(N)=O)C1 ZINC001034400364 799839195 /nfs/dbraw/zinc/83/91/95/799839195.db2.gz XMUMOBLKEYGFKA-CHWSQXEVSA-N 2 2 296.415 -0.073 20 0 CBADLP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCCC[NH+](CC(N)=O)C1 ZINC001034400364 799839201 /nfs/dbraw/zinc/83/92/01/799839201.db2.gz XMUMOBLKEYGFKA-CHWSQXEVSA-N 2 2 296.415 -0.073 20 0 CBADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1CCCC[N@H+](CC(N)=O)C1 ZINC001034400364 799839208 /nfs/dbraw/zinc/83/92/08/799839208.db2.gz XMUMOBLKEYGFKA-CHWSQXEVSA-N 2 2 296.415 -0.073 20 0 CBADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1CCCC[N@@H+](CC(N)=O)C1 ZINC001034400364 799839213 /nfs/dbraw/zinc/83/92/13/799839213.db2.gz XMUMOBLKEYGFKA-CHWSQXEVSA-N 2 2 296.415 -0.073 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CCCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001034546460 799846678 /nfs/dbraw/zinc/84/66/78/799846678.db2.gz DQHXCFUBYADYBS-RYUDHWBXSA-N 2 2 293.371 -0.272 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CCCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001034546460 799846685 /nfs/dbraw/zinc/84/66/85/799846685.db2.gz DQHXCFUBYADYBS-RYUDHWBXSA-N 2 2 293.371 -0.272 20 0 CBADLP O=C(NC[C@H]1C[N@H+](CCO)CCO1)[C@@H]1C[NH+]2CCC1CC2 ZINC001035369957 799910592 /nfs/dbraw/zinc/91/05/92/799910592.db2.gz LCASZYRUJLQBIO-UONOGXRCSA-N 2 2 297.399 -0.863 20 0 CBADLP O=C(NC[C@H]1C[N@@H+](CCO)CCO1)[C@@H]1C[NH+]2CCC1CC2 ZINC001035369957 799910597 /nfs/dbraw/zinc/91/05/97/799910597.db2.gz LCASZYRUJLQBIO-UONOGXRCSA-N 2 2 297.399 -0.863 20 0 CBADLP CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001035481291 799932172 /nfs/dbraw/zinc/93/21/72/799932172.db2.gz GDPLAZYHPGETEQ-KBPBESRZSA-N 2 2 299.415 -0.068 20 0 CBADLP CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001035481291 799932178 /nfs/dbraw/zinc/93/21/78/799932178.db2.gz GDPLAZYHPGETEQ-KBPBESRZSA-N 2 2 299.415 -0.068 20 0 CBADLP CC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001035481291 799932183 /nfs/dbraw/zinc/93/21/83/799932183.db2.gz GDPLAZYHPGETEQ-KBPBESRZSA-N 2 2 299.415 -0.068 20 0 CBADLP CC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001035481291 799932184 /nfs/dbraw/zinc/93/21/84/799932184.db2.gz GDPLAZYHPGETEQ-KBPBESRZSA-N 2 2 299.415 -0.068 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001035607396 799951697 /nfs/dbraw/zinc/95/16/97/799951697.db2.gz QRYNOIWWANWQHD-KBPBESRZSA-N 2 2 299.415 -0.068 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001035607396 799951701 /nfs/dbraw/zinc/95/17/01/799951701.db2.gz QRYNOIWWANWQHD-KBPBESRZSA-N 2 2 299.415 -0.068 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)NC[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001035607396 799951703 /nfs/dbraw/zinc/95/17/03/799951703.db2.gz QRYNOIWWANWQHD-KBPBESRZSA-N 2 2 299.415 -0.068 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)NC[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001035607396 799951706 /nfs/dbraw/zinc/95/17/06/799951706.db2.gz QRYNOIWWANWQHD-KBPBESRZSA-N 2 2 299.415 -0.068 20 0 CBADLP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@H]1[NH2+]CC(N)=O ZINC001036203858 799982946 /nfs/dbraw/zinc/98/29/46/799982946.db2.gz HPHFPEOEFDKGCG-GXSJLCMTSA-N 2 2 279.344 -0.736 20 0 CBADLP C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@H]1[NH2+]CCO ZINC001036241342 799983771 /nfs/dbraw/zinc/98/37/71/799983771.db2.gz RGIZNSXXYKHBNB-WDEREUQCSA-N 2 2 266.345 -0.229 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]([NH2+]CC(N)=O)[C@H](C)C1 ZINC001036276207 799985646 /nfs/dbraw/zinc/98/56/46/799985646.db2.gz RZIQCQKLXBJZNZ-MWLCHTKSSA-N 2 2 293.371 -0.427 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H]2[C@@H](CC[N@H+]2CCO)C1 ZINC001036829633 800009362 /nfs/dbraw/zinc/00/93/62/800009362.db2.gz ITZMUMKAJVXJKA-WCQYABFASA-N 2 2 278.356 -0.133 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H]2[C@@H](CC[N@@H+]2CCO)C1 ZINC001036829633 800009370 /nfs/dbraw/zinc/00/93/70/800009370.db2.gz ITZMUMKAJVXJKA-WCQYABFASA-N 2 2 278.356 -0.133 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H]2[C@H](CC[N@H+]2CCO)C1 ZINC001036854142 800010799 /nfs/dbraw/zinc/01/07/99/800010799.db2.gz GOHKCFOGJCGXAJ-VXGBXAGGSA-N 2 2 278.356 -0.133 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H]2[C@H](CC[N@@H+]2CCO)C1 ZINC001036854142 800010806 /nfs/dbraw/zinc/01/08/06/800010806.db2.gz GOHKCFOGJCGXAJ-VXGBXAGGSA-N 2 2 278.356 -0.133 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2CCO)C1 ZINC001036869874 800011689 /nfs/dbraw/zinc/01/16/89/800011689.db2.gz LKXLHASVJWRPNX-TZMCWYRMSA-N 2 2 292.383 -0.122 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2CCO)C1 ZINC001036869874 800011696 /nfs/dbraw/zinc/01/16/96/800011696.db2.gz LKXLHASVJWRPNX-TZMCWYRMSA-N 2 2 292.383 -0.122 20 0 CBADLP NC(=O)C[N@@H+]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@H]21 ZINC001036908688 800013223 /nfs/dbraw/zinc/01/32/23/800013223.db2.gz RGJKYWLUTXXFJW-NWDGAFQWSA-N 2 2 291.355 -0.709 20 0 CBADLP NC(=O)C[N@H+]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@H]21 ZINC001036908688 800013228 /nfs/dbraw/zinc/01/32/28/800013228.db2.gz RGJKYWLUTXXFJW-NWDGAFQWSA-N 2 2 291.355 -0.709 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CCn1cncn1 ZINC001038118091 800056232 /nfs/dbraw/zinc/05/62/32/800056232.db2.gz QMYAHYMWMWGZBI-OLZOCXBDSA-N 2 2 292.387 -0.437 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CCn1cncn1 ZINC001038118091 800056242 /nfs/dbraw/zinc/05/62/42/800056242.db2.gz QMYAHYMWMWGZBI-OLZOCXBDSA-N 2 2 292.387 -0.437 20 0 CBADLP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CCn1cncn1 ZINC001038118091 800056245 /nfs/dbraw/zinc/05/62/45/800056245.db2.gz QMYAHYMWMWGZBI-OLZOCXBDSA-N 2 2 292.387 -0.437 20 0 CBADLP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CCn1cncn1 ZINC001038118091 800056252 /nfs/dbraw/zinc/05/62/52/800056252.db2.gz QMYAHYMWMWGZBI-OLZOCXBDSA-N 2 2 292.387 -0.437 20 0 CBADLP COCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001038116981 800056688 /nfs/dbraw/zinc/05/66/88/800056688.db2.gz MXWDYQONJVSGRE-VXGBXAGGSA-N 2 2 255.362 -0.083 20 0 CBADLP COCC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001038116981 800056697 /nfs/dbraw/zinc/05/66/97/800056697.db2.gz MXWDYQONJVSGRE-VXGBXAGGSA-N 2 2 255.362 -0.083 20 0 CBADLP COCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001038116981 800056698 /nfs/dbraw/zinc/05/66/98/800056698.db2.gz MXWDYQONJVSGRE-VXGBXAGGSA-N 2 2 255.362 -0.083 20 0 CBADLP COCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001038116981 800056707 /nfs/dbraw/zinc/05/67/07/800056707.db2.gz MXWDYQONJVSGRE-VXGBXAGGSA-N 2 2 255.362 -0.083 20 0 CBADLP COCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001038116977 800057516 /nfs/dbraw/zinc/05/75/16/800057516.db2.gz MXWDYQONJVSGRE-NEPJUHHUSA-N 2 2 255.362 -0.083 20 0 CBADLP COCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001038116977 800057525 /nfs/dbraw/zinc/05/75/25/800057525.db2.gz MXWDYQONJVSGRE-NEPJUHHUSA-N 2 2 255.362 -0.083 20 0 CBADLP COCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001038116977 800057533 /nfs/dbraw/zinc/05/75/33/800057533.db2.gz MXWDYQONJVSGRE-NEPJUHHUSA-N 2 2 255.362 -0.083 20 0 CBADLP COCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001038116977 800057539 /nfs/dbraw/zinc/05/75/39/800057539.db2.gz MXWDYQONJVSGRE-NEPJUHHUSA-N 2 2 255.362 -0.083 20 0 CBADLP Cc1[nH+]cc2n1C[C@@H](C(=O)NC[C@H]1CC[N@@H+]1CCO)CC2 ZINC001038649086 801232830 /nfs/dbraw/zinc/23/28/30/801232830.db2.gz YBVXUQPCBSSYHX-QWHCGFSZSA-N 2 2 292.383 -0.063 20 0 CBADLP Cc1[nH+]cc2n1C[C@@H](C(=O)NC[C@H]1CC[N@H+]1CCO)CC2 ZINC001038649086 801232836 /nfs/dbraw/zinc/23/28/36/801232836.db2.gz YBVXUQPCBSSYHX-QWHCGFSZSA-N 2 2 292.383 -0.063 20 0 CBADLP NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC001042246453 801454172 /nfs/dbraw/zinc/45/41/72/801454172.db2.gz FFKDKUWRIKISOA-ZYHUDNBSSA-N 2 2 291.355 -0.640 20 0 CBADLP NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC001042246453 801454176 /nfs/dbraw/zinc/45/41/76/801454176.db2.gz FFKDKUWRIKISOA-ZYHUDNBSSA-N 2 2 291.355 -0.640 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H]2CC[N@@H+](CCO)[C@H]2C1 ZINC001042385776 801459995 /nfs/dbraw/zinc/45/99/95/801459995.db2.gz WMEAOQNEDNVIIJ-STQMWFEESA-N 2 2 278.356 -0.202 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H]2CC[N@H+](CCO)[C@H]2C1 ZINC001042385776 801460000 /nfs/dbraw/zinc/46/00/00/801460000.db2.gz WMEAOQNEDNVIIJ-STQMWFEESA-N 2 2 278.356 -0.202 20 0 CBADLP NC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC001042380974 801460467 /nfs/dbraw/zinc/46/04/67/801460467.db2.gz XKVRTYPXCCLFEC-VXGBXAGGSA-N 2 2 291.355 -0.709 20 0 CBADLP NC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC001042380974 801460471 /nfs/dbraw/zinc/46/04/71/801460471.db2.gz XKVRTYPXCCLFEC-VXGBXAGGSA-N 2 2 291.355 -0.709 20 0 CBADLP CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1C[NH+](C[C@H]2CCOC2)C1 ZINC001042569437 801492168 /nfs/dbraw/zinc/49/21/68/801492168.db2.gz DVCQVZAZYINPBT-OCCSQVGLSA-N 2 2 297.399 -0.504 20 0 CBADLP CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1C[NH+](C[C@H]2CCOC2)C1 ZINC001042569437 801492174 /nfs/dbraw/zinc/49/21/74/801492174.db2.gz DVCQVZAZYINPBT-OCCSQVGLSA-N 2 2 297.399 -0.504 20 0 CBADLP CN(C(=O)[C@H]1C[NH+]2CCC1CC2)C1C[NH+](CCO)C1 ZINC001042727567 801512580 /nfs/dbraw/zinc/51/25/80/801512580.db2.gz MUEIZXFJCMBNIY-ZDUSSCGKSA-N 2 2 267.373 -0.537 20 0 CBADLP CN(C(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1)C1C[NH+](CCO)C1 ZINC001042718781 801513039 /nfs/dbraw/zinc/51/30/39/801513039.db2.gz USUNQFOOJDOOHG-STQMWFEESA-N 2 2 281.400 -0.004 20 0 CBADLP CN(C(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1)C1C[NH+](CCO)C1 ZINC001042718781 801513046 /nfs/dbraw/zinc/51/30/46/801513046.db2.gz USUNQFOOJDOOHG-STQMWFEESA-N 2 2 281.400 -0.004 20 0 CBADLP CN(C(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1)C1C[NH+](CCCO)C1 ZINC001042756916 801517867 /nfs/dbraw/zinc/51/78/67/801517867.db2.gz WFZGJVDLDAUKCW-GXTWGEPZSA-N 2 2 297.399 -0.625 20 0 CBADLP CN(C(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1)C1C[NH+](CCCO)C1 ZINC001042756916 801517870 /nfs/dbraw/zinc/51/78/70/801517870.db2.gz WFZGJVDLDAUKCW-GXTWGEPZSA-N 2 2 297.399 -0.625 20 0 CBADLP CN(C(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C1C[NH+](CCCO)C1 ZINC001042756918 801518001 /nfs/dbraw/zinc/51/80/01/801518001.db2.gz WFZGJVDLDAUKCW-OCCSQVGLSA-N 2 2 297.399 -0.625 20 0 CBADLP CN(C(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C1C[NH+](CCCO)C1 ZINC001042756918 801518004 /nfs/dbraw/zinc/51/80/04/801518004.db2.gz WFZGJVDLDAUKCW-OCCSQVGLSA-N 2 2 297.399 -0.625 20 0 CBADLP CO[C@@H](C)C[NH+]1CC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001043066841 801538281 /nfs/dbraw/zinc/53/82/81/801538281.db2.gz GPUBNACDWLIUMW-OUCADQQQSA-N 2 2 299.415 -0.117 20 0 CBADLP CO[C@@H](C)C[NH+]1CC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001043066841 801538282 /nfs/dbraw/zinc/53/82/82/801538282.db2.gz GPUBNACDWLIUMW-OUCADQQQSA-N 2 2 299.415 -0.117 20 0 CBADLP COCC[NH+]1CC(N(C)C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001043882781 801599574 /nfs/dbraw/zinc/59/95/74/801599574.db2.gz SZAXCDJAMMRRMT-WCQYABFASA-N 2 2 269.389 -0.027 20 0 CBADLP COCC[NH+]1CC(N(C)C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001043882781 801599579 /nfs/dbraw/zinc/59/95/79/801599579.db2.gz SZAXCDJAMMRRMT-WCQYABFASA-N 2 2 269.389 -0.027 20 0 CBADLP CN(C(=O)C12CC[NH+](CC1)C2)C1C[NH+](CCCO)C1 ZINC001044191854 801627429 /nfs/dbraw/zinc/62/74/29/801627429.db2.gz QRAJAZXUXZWVHJ-UHFFFAOYSA-N 2 2 267.373 -0.393 20 0 CBADLP C[C@H](O)C[NH+]1CC(N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001044294505 801636818 /nfs/dbraw/zinc/63/68/18/801636818.db2.gz BMXZACQRVVYTQR-NSHDSACASA-N 2 2 255.362 -0.394 20 0 CBADLP C[C@@H]1C[C@H]([NH2+]CC(N)=O)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001044623794 801660599 /nfs/dbraw/zinc/66/05/99/801660599.db2.gz DVHQUFNCAQEFQB-GHMZBOCLSA-N 2 2 293.371 -0.203 20 0 CBADLP C[C@@H]1C[C@H]([NH2+]CC(N)=O)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001044623794 801660603 /nfs/dbraw/zinc/66/06/03/801660603.db2.gz DVHQUFNCAQEFQB-GHMZBOCLSA-N 2 2 293.371 -0.203 20 0 CBADLP C[C@@H]1C[C@@H]([NH2+]CCO)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001044753736 801667071 /nfs/dbraw/zinc/66/70/71/801667071.db2.gz FHEREYFOAJOGAA-MNOVXSKESA-N 2 2 266.345 -0.086 20 0 CBADLP C[C@H]1C[C@H]([NH2+]CCO)CCN1C(=O)Cn1cc[nH+]c1 ZINC001044879913 801674597 /nfs/dbraw/zinc/67/45/97/801674597.db2.gz WHWUIWIAFLXADZ-NWDGAFQWSA-N 2 2 266.345 -0.156 20 0 CBADLP CN(C)C(=O)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001046198453 801738706 /nfs/dbraw/zinc/73/87/06/801738706.db2.gz VKZRKXUZMXJDCP-SWLSCSKDSA-N 2 2 296.415 -0.251 20 0 CBADLP CN(C)C(=O)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001046198453 801738710 /nfs/dbraw/zinc/73/87/10/801738710.db2.gz VKZRKXUZMXJDCP-SWLSCSKDSA-N 2 2 296.415 -0.251 20 0 CBADLP CN(C)C(=O)C[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001046198453 801738713 /nfs/dbraw/zinc/73/87/13/801738713.db2.gz VKZRKXUZMXJDCP-SWLSCSKDSA-N 2 2 296.415 -0.251 20 0 CBADLP CN(C)C(=O)C[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001046198453 801738717 /nfs/dbraw/zinc/73/87/17/801738717.db2.gz VKZRKXUZMXJDCP-SWLSCSKDSA-N 2 2 296.415 -0.251 20 0 CBADLP COC[C@@H](C)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001047646547 801918108 /nfs/dbraw/zinc/91/81/08/801918108.db2.gz HDGLESQIKBXLJU-AGIUHOORSA-N 2 2 296.371 -0.579 20 0 CBADLP COC[C@@H](C)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001047646547 801918110 /nfs/dbraw/zinc/91/81/10/801918110.db2.gz HDGLESQIKBXLJU-AGIUHOORSA-N 2 2 296.371 -0.579 20 0 CBADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H]2C[N@@H+](CCO)C[C@@H]2C1 ZINC001049107190 801997721 /nfs/dbraw/zinc/99/77/21/801997721.db2.gz ZEQQPSHAIKQNNG-RWMBFGLXSA-N 2 2 292.383 -0.029 20 0 CBADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H]2C[N@H+](CCO)C[C@@H]2C1 ZINC001049107190 801997730 /nfs/dbraw/zinc/99/77/30/801997730.db2.gz ZEQQPSHAIKQNNG-RWMBFGLXSA-N 2 2 292.383 -0.029 20 0 CBADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H]2C[N@@H+](CCO)C[C@@H]2C1 ZINC001049107190 801997735 /nfs/dbraw/zinc/99/77/35/801997735.db2.gz ZEQQPSHAIKQNNG-RWMBFGLXSA-N 2 2 292.383 -0.029 20 0 CBADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H]2C[N@H+](CCO)C[C@@H]2C1 ZINC001049107190 801997743 /nfs/dbraw/zinc/99/77/43/801997743.db2.gz ZEQQPSHAIKQNNG-RWMBFGLXSA-N 2 2 292.383 -0.029 20 0 CBADLP COCC[N@H+]1C[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C1 ZINC001049082177 801998816 /nfs/dbraw/zinc/99/88/16/801998816.db2.gz FLYHAQMAFWGZEP-TXEJJXNPSA-N 2 2 278.356 -0.011 20 0 CBADLP COCC[N@@H+]1C[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C1 ZINC001049082177 801998818 /nfs/dbraw/zinc/99/88/18/801998818.db2.gz FLYHAQMAFWGZEP-TXEJJXNPSA-N 2 2 278.356 -0.011 20 0 CBADLP C[C@H](O)C[N@H+]1C[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2C1 ZINC001049131364 802001362 /nfs/dbraw/zinc/00/13/62/802001362.db2.gz JCPBRSSQZODKNC-SDDRHHMPSA-N 2 2 278.356 -0.277 20 0 CBADLP C[C@H](O)C[N@@H+]1C[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2C1 ZINC001049131364 802001366 /nfs/dbraw/zinc/00/13/66/802001366.db2.gz JCPBRSSQZODKNC-SDDRHHMPSA-N 2 2 278.356 -0.277 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2C[N@@H+](CCCO)C[C@@H]2C1 ZINC001049174552 802004299 /nfs/dbraw/zinc/00/42/99/802004299.db2.gz VGSNNGWLMAVIFV-BETUJISGSA-N 2 2 292.383 -0.265 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2C[N@H+](CCCO)C[C@@H]2C1 ZINC001049174552 802004306 /nfs/dbraw/zinc/00/43/06/802004306.db2.gz VGSNNGWLMAVIFV-BETUJISGSA-N 2 2 292.383 -0.265 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2C1 ZINC001049190446 802005665 /nfs/dbraw/zinc/00/56/65/802005665.db2.gz RGWCZXJRXDWQAZ-PHIMTYICSA-N 2 2 291.355 -0.864 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2C1 ZINC001049190446 802005672 /nfs/dbraw/zinc/00/56/72/802005672.db2.gz RGWCZXJRXDWQAZ-PHIMTYICSA-N 2 2 291.355 -0.864 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2C[N@@H+](CCO)C[C@@H]2C1 ZINC001049190309 802005984 /nfs/dbraw/zinc/00/59/84/802005984.db2.gz LZBRNWKFNRDWSL-TXEJJXNPSA-N 2 2 278.356 -0.357 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2C[N@H+](CCO)C[C@@H]2C1 ZINC001049190309 802005995 /nfs/dbraw/zinc/00/59/95/802005995.db2.gz LZBRNWKFNRDWSL-TXEJJXNPSA-N 2 2 278.356 -0.357 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001050151383 802054872 /nfs/dbraw/zinc/05/48/72/802054872.db2.gz KQUTWHXADDQLRI-WCQYABFASA-N 2 2 278.356 -0.133 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001050151383 802054881 /nfs/dbraw/zinc/05/48/81/802054881.db2.gz KQUTWHXADDQLRI-WCQYABFASA-N 2 2 278.356 -0.133 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CC2(C1)CC[NH+](CCO)CC2 ZINC001050731100 802072700 /nfs/dbraw/zinc/07/27/00/802072700.db2.gz TWDYIROLZLDYSU-UHFFFAOYSA-N 2 2 292.383 -0.121 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[N@H+](CC(N)=O)CC1 ZINC001052563575 802205766 /nfs/dbraw/zinc/20/57/66/802205766.db2.gz VLLYAQGSMKHHFD-GFCCVEGCSA-N 2 2 293.371 -0.352 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)CC1 ZINC001052563575 802205773 /nfs/dbraw/zinc/20/57/73/802205773.db2.gz VLLYAQGSMKHHFD-GFCCVEGCSA-N 2 2 293.371 -0.352 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001052749195 802215630 /nfs/dbraw/zinc/21/56/30/802215630.db2.gz RWCYJDHROLAWCC-QWRGUYRKSA-N 2 2 293.371 -0.203 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001052749195 802215637 /nfs/dbraw/zinc/21/56/37/802215637.db2.gz RWCYJDHROLAWCC-QWRGUYRKSA-N 2 2 293.371 -0.203 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CCC[N@H+](CC(N)=O)CC1 ZINC001052869265 802222204 /nfs/dbraw/zinc/22/22/04/802222204.db2.gz CDXGLQPKQWTPAH-NSHDSACASA-N 2 2 293.371 -0.581 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CCC[N@@H+](CC(N)=O)CC1 ZINC001052869265 802222210 /nfs/dbraw/zinc/22/22/10/802222210.db2.gz CDXGLQPKQWTPAH-NSHDSACASA-N 2 2 293.371 -0.581 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCC[N@H+](CC(N)=O)CC1 ZINC001052869264 802223098 /nfs/dbraw/zinc/22/30/98/802223098.db2.gz CDXGLQPKQWTPAH-LLVKDONJSA-N 2 2 293.371 -0.581 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)CC1 ZINC001052869264 802223107 /nfs/dbraw/zinc/22/31/07/802223107.db2.gz CDXGLQPKQWTPAH-LLVKDONJSA-N 2 2 293.371 -0.581 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001052970202 802227526 /nfs/dbraw/zinc/22/75/26/802227526.db2.gz GRDNRFBJMBUHAT-RYUDHWBXSA-N 2 2 293.371 -0.272 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001052970202 802227534 /nfs/dbraw/zinc/22/75/34/802227534.db2.gz GRDNRFBJMBUHAT-RYUDHWBXSA-N 2 2 293.371 -0.272 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC2(C[NH+](CCO)C2)O1 ZINC001053583278 802270039 /nfs/dbraw/zinc/27/00/39/802270039.db2.gz WXFCUVODKAQPJX-QWHCGFSZSA-N 2 2 297.399 -0.578 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC2(C[NH+](CCO)C2)O1 ZINC001053583278 802270047 /nfs/dbraw/zinc/27/00/47/802270047.db2.gz WXFCUVODKAQPJX-QWHCGFSZSA-N 2 2 297.399 -0.578 20 0 CBADLP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1COC2(C[NH+](CCO)C2)C1 ZINC001053927251 802312759 /nfs/dbraw/zinc/31/27/59/802312759.db2.gz WLZVBCSBOSXBOC-OLZOCXBDSA-N 2 2 297.399 -0.578 20 0 CBADLP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1COC2(C[NH+](CCO)C2)C1 ZINC001053927251 802312764 /nfs/dbraw/zinc/31/27/64/802312764.db2.gz WLZVBCSBOSXBOC-OLZOCXBDSA-N 2 2 297.399 -0.578 20 0 CBADLP COCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)CO2 ZINC001054007356 802322751 /nfs/dbraw/zinc/32/27/51/802322751.db2.gz CTNFNQVXIMPQAI-CHWSQXEVSA-N 2 2 297.399 -0.456 20 0 CBADLP COCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)CO2 ZINC001054007356 802322757 /nfs/dbraw/zinc/32/27/57/802322757.db2.gz CTNFNQVXIMPQAI-CHWSQXEVSA-N 2 2 297.399 -0.456 20 0 CBADLP COCCOCCN1CC[NH+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC001119619254 812836917 /nfs/dbraw/zinc/83/69/17/812836917.db2.gz XKUGPQMCKSNACD-IHRRRGAJSA-N 2 2 287.404 -0.882 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001121935771 813091751 /nfs/dbraw/zinc/09/17/51/813091751.db2.gz CNJTWWYCDCQYFP-LLVKDONJSA-N 2 2 263.345 -0.542 20 0 CBADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001122173525 813127865 /nfs/dbraw/zinc/12/78/65/813127865.db2.gz JUYDYLDCPAFVEH-NDBYEHHHSA-N 2 2 267.373 -0.321 20 0 CBADLP C[C@H](NC(=O)C1=CC[C@H]([NH3+])C1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001122450050 813166434 /nfs/dbraw/zinc/16/64/34/813166434.db2.gz ZJENEJCEQIUVGS-DRZSPHRISA-N 2 2 266.389 -0.216 20 0 CBADLP C[C@H](NC(=O)C1=CC[C@H]([NH3+])C1)[C@@H]1CN(C)CC[N@H+]1C ZINC001122450050 813166437 /nfs/dbraw/zinc/16/64/37/813166437.db2.gz ZJENEJCEQIUVGS-DRZSPHRISA-N 2 2 266.389 -0.216 20 0 CBADLP C[NH2+]C1CC(C(=O)N[C@@H](C)[C@@H]2CN(C)CC[N@@H+]2C)C1 ZINC001122449044 813167415 /nfs/dbraw/zinc/16/74/15/813167415.db2.gz RGVDADCHSCQIEQ-WTIISPKJSA-N 2 2 268.405 -0.265 20 0 CBADLP C[NH2+]C1CC(C(=O)N[C@@H](C)[C@@H]2CN(C)CC[N@H+]2C)C1 ZINC001122449044 813167419 /nfs/dbraw/zinc/16/74/19/813167419.db2.gz RGVDADCHSCQIEQ-WTIISPKJSA-N 2 2 268.405 -0.265 20 0 CBADLP CCN(C(=O)CN1CC[NH2+]CC1=O)[C@@H]1CCC[NH2+]C1 ZINC001122610033 813180942 /nfs/dbraw/zinc/18/09/42/813180942.db2.gz POHCVOLSCBRLIA-LLVKDONJSA-N 2 2 268.361 -0.981 20 0 CBADLP CCc1noc(C[NH2+]CCNC(=O)CC[NH+](C)C)n1 ZINC001133290815 814237177 /nfs/dbraw/zinc/23/71/77/814237177.db2.gz DIUIIZSXUIBNMV-UHFFFAOYSA-N 2 2 269.349 -0.211 20 0 CBADLP C[C@@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]CCS(C)(=O)=O ZINC001133834436 814304829 /nfs/dbraw/zinc/30/48/29/814304829.db2.gz XPJSJXRGBOTPAM-LLVKDONJSA-N 2 2 291.417 -0.779 20 0 CBADLP C[C@@H]1CCC[N@H+]1CC(=O)NCC[NH2+]CCS(C)(=O)=O ZINC001133834436 814304840 /nfs/dbraw/zinc/30/48/40/814304840.db2.gz XPJSJXRGBOTPAM-LLVKDONJSA-N 2 2 291.417 -0.779 20 0 CBADLP CCCn1nnnc1C[NH2+]CCNC(=O)C[N@H+](C)CCC ZINC001148642363 814953990 /nfs/dbraw/zinc/95/39/90/814953990.db2.gz GDIGQQCXKZHFGX-UHFFFAOYSA-N 2 2 297.407 -0.369 20 0 CBADLP CCCn1nnnc1C[NH2+]CCNC(=O)C[N@@H+](C)CCC ZINC001148642363 814953997 /nfs/dbraw/zinc/95/39/97/814953997.db2.gz GDIGQQCXKZHFGX-UHFFFAOYSA-N 2 2 297.407 -0.369 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+]CC(=O)NC(C)(C)C ZINC001149130534 814970993 /nfs/dbraw/zinc/97/09/93/814970993.db2.gz PBYWPUJIJFOFKB-UHFFFAOYSA-N 2 2 295.387 -0.119 20 0 CBADLP C[C@H](O)C[NH2+]C[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001322059428 803855865 /nfs/dbraw/zinc/85/58/65/803855865.db2.gz GZLBCGIVDXCRGY-QWRGUYRKSA-N 2 2 268.361 -0.172 20 0 CBADLP CCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001149133921 814973216 /nfs/dbraw/zinc/97/32/16/814973216.db2.gz CHGSMGOLKDTXNY-LLVKDONJSA-N 2 2 295.387 -0.119 20 0 CBADLP C[C@H](O)C[N@@H+]1CC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001323280438 804001625 /nfs/dbraw/zinc/00/16/25/804001625.db2.gz YOHUCKJAHLKCCY-RYUDHWBXSA-N 2 2 266.345 -0.156 20 0 CBADLP C[C@H](O)C[N@H+]1CC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001323280438 804001632 /nfs/dbraw/zinc/00/16/32/804001632.db2.gz YOHUCKJAHLKCCY-RYUDHWBXSA-N 2 2 266.345 -0.156 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CC[N@H+]1C[C@H](C)O ZINC001323340057 804012008 /nfs/dbraw/zinc/01/20/08/804012008.db2.gz LAKCYKSMDHMLQB-GXSJLCMTSA-N 2 2 266.345 -0.168 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CC[N@@H+]1C[C@H](C)O ZINC001323340057 804012017 /nfs/dbraw/zinc/01/20/17/804012017.db2.gz LAKCYKSMDHMLQB-GXSJLCMTSA-N 2 2 266.345 -0.168 20 0 CBADLP CC[C@H]([NH2+]CCNC(=O)CCc1c[nH+]cn1C)C(N)=O ZINC001149570905 815000340 /nfs/dbraw/zinc/00/03/40/815000340.db2.gz FKUCOHBQCNGKBS-NSHDSACASA-N 2 2 281.360 -0.678 20 0 CBADLP CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001325662954 804303118 /nfs/dbraw/zinc/30/31/18/804303118.db2.gz OIOLDZZLQWGDSH-JTQLQIEISA-N 2 2 268.361 -0.983 20 0 CBADLP CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001325662954 804303128 /nfs/dbraw/zinc/30/31/28/804303128.db2.gz OIOLDZZLQWGDSH-JTQLQIEISA-N 2 2 268.361 -0.983 20 0 CBADLP C[C@@H](O)C[N@@H+]1CCCO[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001150507796 815033902 /nfs/dbraw/zinc/03/39/02/815033902.db2.gz KIGYBWANYMTTAC-VXGBXAGGSA-N 2 2 296.371 -0.460 20 0 CBADLP C[C@@H](O)C[N@H+]1CCCO[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001150507796 815033908 /nfs/dbraw/zinc/03/39/08/815033908.db2.gz KIGYBWANYMTTAC-VXGBXAGGSA-N 2 2 296.371 -0.460 20 0 CBADLP C[C@@H](O)C[N@@H+]1CCCO[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001150823957 815045827 /nfs/dbraw/zinc/04/58/27/815045827.db2.gz DNIJUYRTCVKKEQ-CHWSQXEVSA-N 2 2 296.371 -0.529 20 0 CBADLP C[C@@H](O)C[N@H+]1CCCO[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001150823957 815045833 /nfs/dbraw/zinc/04/58/33/815045833.db2.gz DNIJUYRTCVKKEQ-CHWSQXEVSA-N 2 2 296.371 -0.529 20 0 CBADLP C[C@@H](O)C[N@@H+]1CCCO[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001150823959 815046007 /nfs/dbraw/zinc/04/60/07/815046007.db2.gz DNIJUYRTCVKKEQ-OLZOCXBDSA-N 2 2 296.371 -0.529 20 0 CBADLP C[C@@H](O)C[N@H+]1CCCO[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001150823959 815046010 /nfs/dbraw/zinc/04/60/10/815046010.db2.gz DNIJUYRTCVKKEQ-OLZOCXBDSA-N 2 2 296.371 -0.529 20 0 CBADLP CC(=O)N1CC[C@H]([NH+]2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001065675080 805091748 /nfs/dbraw/zinc/09/17/48/805091748.db2.gz KXSGUCNWJZGUDX-AWEZNQCLSA-N 2 2 296.415 -0.297 20 0 CBADLP Cc1ccnc(C[NH2+]CCNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001151049321 815052806 /nfs/dbraw/zinc/05/28/06/815052806.db2.gz LYCGHSAPRHKMRJ-GFCCVEGCSA-N 2 2 277.372 -0.057 20 0 CBADLP Cc1ccnc(C[NH2+]CCNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001151049321 815052813 /nfs/dbraw/zinc/05/28/13/815052813.db2.gz LYCGHSAPRHKMRJ-GFCCVEGCSA-N 2 2 277.372 -0.057 20 0 CBADLP Cc1cnc(C[NH2+]CCNC(=O)[C@H]2CC[N@@H+](C)C2)nc1 ZINC001151058092 815054601 /nfs/dbraw/zinc/05/46/01/815054601.db2.gz VWIWBSCTCUWJTE-LBPRGKRZSA-N 2 2 277.372 -0.057 20 0 CBADLP Cc1cnc(C[NH2+]CCNC(=O)[C@H]2CC[N@H+](C)C2)nc1 ZINC001151058092 815054607 /nfs/dbraw/zinc/05/46/07/815054607.db2.gz VWIWBSCTCUWJTE-LBPRGKRZSA-N 2 2 277.372 -0.057 20 0 CBADLP CCn1cc(C[NH2+]CCNC(=O)Cn2cc[nH+]c2C)nn1 ZINC001151121659 815063020 /nfs/dbraw/zinc/06/30/20/815063020.db2.gz JZTJKVBYEJOJGP-UHFFFAOYSA-N 2 2 291.359 -0.291 20 0 CBADLP Cc1nnc(C[NH2+]CCNC(=O)Cn2cc[nH+]c2C)o1 ZINC001151147836 815065619 /nfs/dbraw/zinc/06/56/19/815065619.db2.gz ZBOYCJHIPWERRY-UHFFFAOYSA-N 2 2 278.316 -0.211 20 0 CBADLP C[C@H](O)C[N@@H+]1CCC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001073018415 805356127 /nfs/dbraw/zinc/35/61/27/805356127.db2.gz ALRXEYVDNUTLKR-NSHDSACASA-N 2 2 278.356 -0.133 20 0 CBADLP C[C@H](O)C[N@H+]1CCC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001073018415 805356137 /nfs/dbraw/zinc/35/61/37/805356137.db2.gz ALRXEYVDNUTLKR-NSHDSACASA-N 2 2 278.356 -0.133 20 0 CBADLP C[C@H](O)C[N@@H+]1CCC2(CN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001073128189 805361761 /nfs/dbraw/zinc/36/17/61/805361761.db2.gz VARDXGDORBFWSH-LBPRGKRZSA-N 2 2 292.383 -0.122 20 0 CBADLP C[C@H](O)C[N@H+]1CCC2(CN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001073128189 805361769 /nfs/dbraw/zinc/36/17/69/805361769.db2.gz VARDXGDORBFWSH-LBPRGKRZSA-N 2 2 292.383 -0.122 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)N1CC2(C1)CC[N@H+](CCO)C2 ZINC001073158045 805364516 /nfs/dbraw/zinc/36/45/16/805364516.db2.gz JKAWWYKCFHJFTH-UHFFFAOYSA-N 2 2 292.383 -0.121 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)N1CC2(C1)CC[N@@H+](CCO)C2 ZINC001073158045 805364522 /nfs/dbraw/zinc/36/45/22/805364522.db2.gz JKAWWYKCFHJFTH-UHFFFAOYSA-N 2 2 292.383 -0.121 20 0 CBADLP CC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)[C@H]1C ZINC001074581909 805459373 /nfs/dbraw/zinc/45/93/73/805459373.db2.gz XMUNLKXNFUFKRO-SRVKXCTJSA-N 2 2 255.362 -0.084 20 0 CBADLP CC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H]1C ZINC001074581909 805459379 /nfs/dbraw/zinc/45/93/79/805459379.db2.gz XMUNLKXNFUFKRO-SRVKXCTJSA-N 2 2 255.362 -0.084 20 0 CBADLP C[C@@H]([NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H]1C)C(N)=O ZINC001074918308 805477457 /nfs/dbraw/zinc/47/74/57/805477457.db2.gz BIIBLIOYVNHBOL-YWVKMMECSA-N 2 2 279.344 -0.595 20 0 CBADLP C[C@@H]([NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@H]1C)C(N)=O ZINC001074996401 805479909 /nfs/dbraw/zinc/47/99/09/805479909.db2.gz PBCBAKVQQFBTSN-UTLUCORTSA-N 2 2 279.344 -0.595 20 0 CBADLP C[C@H](O)C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@H]1C ZINC001075144688 805485131 /nfs/dbraw/zinc/48/51/31/805485131.db2.gz JVFSDABLMLENFU-SRVKXCTJSA-N 2 2 266.345 -0.157 20 0 CBADLP O=C(CCc1[nH]cc[nH+]1)N1CC[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001075745464 805527259 /nfs/dbraw/zinc/52/72/59/805527259.db2.gz IDFIQSAYQBOBDX-NWDGAFQWSA-N 2 2 278.356 -0.133 20 0 CBADLP O=C(CCc1[nH]cc[nH+]1)N1CC[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001075745464 805527262 /nfs/dbraw/zinc/52/72/62/805527262.db2.gz IDFIQSAYQBOBDX-NWDGAFQWSA-N 2 2 278.356 -0.133 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2coc(C)n2)C1 ZINC001151738282 815089304 /nfs/dbraw/zinc/08/93/04/815089304.db2.gz HMBMPVGLNCOCMU-CYBMUJFWSA-N 2 2 296.371 -0.090 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2coc(C)n2)C1 ZINC001151738282 815089311 /nfs/dbraw/zinc/08/93/11/815089311.db2.gz HMBMPVGLNCOCMU-CYBMUJFWSA-N 2 2 296.371 -0.090 20 0 CBADLP CCOCC[NH2+]CCNC(=O)[C@H](C1CC1)[NH+]1CCOCC1 ZINC001151813788 815095666 /nfs/dbraw/zinc/09/56/66/815095666.db2.gz ABWIOSUMARVRHO-AWEZNQCLSA-N 2 2 299.415 -0.161 20 0 CBADLP Cc1nonc1C[NH2+]CCNC(=O)C[N@@H+](C)C(C)C ZINC001152439485 815121174 /nfs/dbraw/zinc/12/11/74/815121174.db2.gz NXAZETYUJRCKIY-UHFFFAOYSA-N 2 2 269.349 -0.076 20 0 CBADLP Cc1nonc1C[NH2+]CCNC(=O)C[N@H+](C)C(C)C ZINC001152439485 815121176 /nfs/dbraw/zinc/12/11/76/815121176.db2.gz NXAZETYUJRCKIY-UHFFFAOYSA-N 2 2 269.349 -0.076 20 0 CBADLP C[C@H](O)C[NH2+]CCNC(=O)[C@H](c1cccnc1)[NH+](C)C ZINC001152618148 815131609 /nfs/dbraw/zinc/13/16/09/815131609.db2.gz JFBWMMNHIUGBSP-AAEUAGOBSA-N 2 2 280.372 -0.229 20 0 CBADLP CN(CC1(C)COC1)C(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160546305 815635186 /nfs/dbraw/zinc/63/51/86/815635186.db2.gz XYRSLCRTEVQGBA-GWCFXTLKSA-N 2 2 253.346 -0.567 20 0 CBADLP CCCCNC(=O)C[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153487941 815165158 /nfs/dbraw/zinc/16/51/58/815165158.db2.gz UJWDQWVZFKLEKN-UHFFFAOYSA-N 2 2 281.360 -0.495 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)CCCn1cc[nH+]c1 ZINC001153344409 815159954 /nfs/dbraw/zinc/15/99/54/815159954.db2.gz CHIVLJCMQAFPDZ-LLVKDONJSA-N 2 2 281.360 -0.496 20 0 CBADLP CC(C)[C@H](C)NC(=O)C[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153487559 815162907 /nfs/dbraw/zinc/16/29/07/815162907.db2.gz DJZUWLNGJSUWRI-LBPRGKRZSA-N 2 2 295.387 -0.250 20 0 CBADLP CCCNC(=O)C[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153487921 815164024 /nfs/dbraw/zinc/16/40/24/815164024.db2.gz RZEBBLIDSXJLTM-UHFFFAOYSA-N 2 2 267.333 -0.885 20 0 CBADLP Cc1nnsc1C[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153496204 815164044 /nfs/dbraw/zinc/16/40/44/815164044.db2.gz WAQRPTMLYJMPAD-UHFFFAOYSA-N 2 2 280.357 -0.051 20 0 CBADLP O=C(Cn1cc[nH+]c1)NCC[NH2+]CCNC(=O)C1CC1 ZINC001153495451 815164707 /nfs/dbraw/zinc/16/47/07/815164707.db2.gz JRMUHMMTSADMJU-UHFFFAOYSA-N 2 2 279.344 -0.885 20 0 CBADLP CCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153500917 815164818 /nfs/dbraw/zinc/16/48/18/815164818.db2.gz ZXWCAPSBMSTVRM-GFCCVEGCSA-N 2 2 295.387 -0.106 20 0 CBADLP CC[C@H](C)NC(=O)C[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153487996 815165124 /nfs/dbraw/zinc/16/51/24/815165124.db2.gz YQQAFBPGMHNRBL-NSHDSACASA-N 2 2 281.360 -0.496 20 0 CBADLP CN(CC1(C)COC1)C(=O)[C@@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001160549324 815637608 /nfs/dbraw/zinc/63/76/08/815637608.db2.gz PPQPMLCEUUFIEV-LBPRGKRZSA-N 2 2 284.404 -0.768 20 0 CBADLP CS(=O)(=O)N(CC[NH3+])C(=O)c1cccc2[nH+]ccn21 ZINC001154517616 815224501 /nfs/dbraw/zinc/22/45/01/815224501.db2.gz KEEALHQUTRPPIG-UHFFFAOYSA-N 2 2 282.325 -0.305 20 0 CBADLP C[N@@H+]1CCO[C@H](CNc2ncnc3c2CC[NH2+]C3)C1 ZINC001155192993 815268720 /nfs/dbraw/zinc/26/87/20/815268720.db2.gz BPPADNKTQLZDFG-SNVBAGLBSA-N 2 2 263.345 -0.135 20 0 CBADLP C[N@H+]1CCO[C@H](CNc2ncnc3c2CC[NH2+]C3)C1 ZINC001155192993 815268723 /nfs/dbraw/zinc/26/87/23/815268723.db2.gz BPPADNKTQLZDFG-SNVBAGLBSA-N 2 2 263.345 -0.135 20 0 CBADLP Cc1nc(-n2cncn2)cc(NC[C@@]23C[NH2+][C@@H](CO2)C3)[nH+]1 ZINC001155545602 815291540 /nfs/dbraw/zinc/29/15/40/815291540.db2.gz XKGIIURNXSEBPX-ZWNOBZJWSA-N 2 2 287.327 -0.091 20 0 CBADLP c1nc(N[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)cc(N2CCOCC2)[nH+]1 ZINC001155638027 815301992 /nfs/dbraw/zinc/30/19/92/815301992.db2.gz ZKVBCOFISINOHV-SUNKGSAMSA-N 2 2 291.355 -0.146 20 0 CBADLP [NH3+]CCN(CCO)c1cccc(N2CCC([NH3+])CC2)[nH+]1 ZINC001155953102 815325583 /nfs/dbraw/zinc/32/55/83/815325583.db2.gz PVPQDYYUQWZTOE-UHFFFAOYSA-N 3 2 279.388 -0.234 20 0 CBADLP O=C(NC[C@H]1C[C@H]([NH2+]CCO)C1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001086406850 810267824 /nfs/dbraw/zinc/26/78/24/810267824.db2.gz PHPIIFSDQGLBHJ-JHJVBQTASA-N 2 2 292.383 -0.078 20 0 CBADLP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)CC[N@@H+]1CC(N)=O ZINC001087726369 810304473 /nfs/dbraw/zinc/30/44/73/810304473.db2.gz CGVUDGYVZBBRJX-FRRDWIJNSA-N 2 2 296.415 -0.217 20 0 CBADLP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)CC[N@H+]1CC(N)=O ZINC001087726369 810304480 /nfs/dbraw/zinc/30/44/80/810304480.db2.gz CGVUDGYVZBBRJX-FRRDWIJNSA-N 2 2 296.415 -0.217 20 0 CBADLP CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC[NH+]1CC(N)=O ZINC001087726369 810304485 /nfs/dbraw/zinc/30/44/85/810304485.db2.gz CGVUDGYVZBBRJX-FRRDWIJNSA-N 2 2 296.415 -0.217 20 0 CBADLP CC[C@@H]1[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)CC[NH+]1CC(N)=O ZINC001087726369 810304491 /nfs/dbraw/zinc/30/44/91/810304491.db2.gz CGVUDGYVZBBRJX-FRRDWIJNSA-N 2 2 296.415 -0.217 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2C[N@@H+](CCO)CC[C@@H]2C1 ZINC001088170728 810323779 /nfs/dbraw/zinc/32/37/79/810323779.db2.gz DCBHQFUNMQEOLN-OLZOCXBDSA-N 2 2 292.383 -0.265 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2C[N@H+](CCO)CC[C@@H]2C1 ZINC001088170728 810323781 /nfs/dbraw/zinc/32/37/81/810323781.db2.gz DCBHQFUNMQEOLN-OLZOCXBDSA-N 2 2 292.383 -0.265 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)[C@H]1C ZINC001088857507 810362428 /nfs/dbraw/zinc/36/24/28/810362428.db2.gz RHKMKXSTHWVSJG-XQQFMLRXSA-N 2 2 296.415 -0.204 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)[C@H]1C ZINC001088857507 810362432 /nfs/dbraw/zinc/36/24/32/810362432.db2.gz RHKMKXSTHWVSJG-XQQFMLRXSA-N 2 2 296.415 -0.204 20 0 CBADLP CNC(=O)C[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)[C@H]1C ZINC001088857507 810362438 /nfs/dbraw/zinc/36/24/38/810362438.db2.gz RHKMKXSTHWVSJG-XQQFMLRXSA-N 2 2 296.415 -0.204 20 0 CBADLP CNC(=O)C[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)[C@H]1C ZINC001088857507 810362446 /nfs/dbraw/zinc/36/24/46/810362446.db2.gz RHKMKXSTHWVSJG-XQQFMLRXSA-N 2 2 296.415 -0.204 20 0 CBADLP C[NH2+][C@H]1CCN1c1ncccc1C(=O)N1CC[NH2+]CC1 ZINC001156659003 815372234 /nfs/dbraw/zinc/37/22/34/815372234.db2.gz JRZKMEUMSPNIMU-GFCCVEGCSA-N 2 2 275.356 -0.117 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CC[N@@H+](CCCF)C[C@H]1O ZINC001090675700 810545800 /nfs/dbraw/zinc/54/58/00/810545800.db2.gz KKRYEVPBLJVZTE-WDEREUQCSA-N 2 2 284.335 -0.137 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CC[N@H+](CCCF)C[C@H]1O ZINC001090675700 810545807 /nfs/dbraw/zinc/54/58/07/810545807.db2.gz KKRYEVPBLJVZTE-WDEREUQCSA-N 2 2 284.335 -0.137 20 0 CBADLP CCC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H](O)C1 ZINC001090728599 810559090 /nfs/dbraw/zinc/55/90/90/810559090.db2.gz VJVPPOIWJFYZGD-QWHCGFSZSA-N 2 2 280.372 -0.076 20 0 CBADLP CCC[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H](O)C1 ZINC001090728599 810559097 /nfs/dbraw/zinc/55/90/97/810559097.db2.gz VJVPPOIWJFYZGD-QWHCGFSZSA-N 2 2 280.372 -0.076 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001090762971 810562494 /nfs/dbraw/zinc/56/24/94/810562494.db2.gz CRYUZVDGCZBHJQ-WCQYABFASA-N 2 2 296.371 -0.806 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001090762971 810562500 /nfs/dbraw/zinc/56/25/00/810562500.db2.gz CRYUZVDGCZBHJQ-WCQYABFASA-N 2 2 296.371 -0.806 20 0 CBADLP CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001090851123 810574315 /nfs/dbraw/zinc/57/43/15/810574315.db2.gz ZESNCAWSTSWROL-QWRGUYRKSA-N 2 2 252.318 -0.546 20 0 CBADLP CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001090851123 810574317 /nfs/dbraw/zinc/57/43/17/810574317.db2.gz ZESNCAWSTSWROL-QWRGUYRKSA-N 2 2 252.318 -0.546 20 0 CBADLP CCC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H](O)C1 ZINC001090848807 810574449 /nfs/dbraw/zinc/57/44/49/810574449.db2.gz JAHRDFNIEQOGOZ-NWDGAFQWSA-N 2 2 266.345 -0.156 20 0 CBADLP CCC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H](O)C1 ZINC001090848807 810574454 /nfs/dbraw/zinc/57/44/54/810574454.db2.gz JAHRDFNIEQOGOZ-NWDGAFQWSA-N 2 2 266.345 -0.156 20 0 CBADLP CCC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001090848806 810575098 /nfs/dbraw/zinc/57/50/98/810575098.db2.gz JAHRDFNIEQOGOZ-NEPJUHHUSA-N 2 2 266.345 -0.156 20 0 CBADLP CCC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001090848806 810575104 /nfs/dbraw/zinc/57/51/04/810575104.db2.gz JAHRDFNIEQOGOZ-NEPJUHHUSA-N 2 2 266.345 -0.156 20 0 CBADLP COCC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H](O)C1 ZINC001090847467 810575191 /nfs/dbraw/zinc/57/51/91/810575191.db2.gz VOPIHCGRULNXRF-NWDGAFQWSA-N 2 2 282.344 -0.919 20 0 CBADLP COCC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H](O)C1 ZINC001090847467 810575196 /nfs/dbraw/zinc/57/51/96/810575196.db2.gz VOPIHCGRULNXRF-NWDGAFQWSA-N 2 2 282.344 -0.919 20 0 CBADLP O=C(NCC1CC([NH2+]CCO)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001091079723 810589556 /nfs/dbraw/zinc/58/95/56/810589556.db2.gz ZJTPYPVPVYJKPA-KIDURHIOSA-N 2 2 278.356 -0.010 20 0 CBADLP O=C(NCC1CC([NH2+]CCO)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001091079723 810589562 /nfs/dbraw/zinc/58/95/62/810589562.db2.gz ZJTPYPVPVYJKPA-KIDURHIOSA-N 2 2 278.356 -0.010 20 0 CBADLP O=C(NCC1CC([NH2+]CCO)C1)[C@H]1CCn2cc[nH+]c2C1 ZINC001091106440 810593967 /nfs/dbraw/zinc/59/39/67/810593967.db2.gz PHPIIFSDQGLBHJ-CPCZMJQVSA-N 2 2 292.383 -0.078 20 0 CBADLP C[C@]12CN(C(=O)Cn3cc[nH+]c3)C[C@H]1C[N@H+](CCO)C2 ZINC001092319639 810627450 /nfs/dbraw/zinc/62/74/50/810627450.db2.gz VAVDRSIMUVCPKC-OCCSQVGLSA-N 2 2 278.356 -0.344 20 0 CBADLP C[C@]12CN(C(=O)Cn3cc[nH+]c3)C[C@H]1C[N@@H+](CCO)C2 ZINC001092319639 810627457 /nfs/dbraw/zinc/62/74/57/810627457.db2.gz VAVDRSIMUVCPKC-OCCSQVGLSA-N 2 2 278.356 -0.344 20 0 CBADLP CC[NH2+]Cc1cn(C2CN(C(=O)Cc3[nH]cc[nH+]3)C2)nn1 ZINC001093340290 810651859 /nfs/dbraw/zinc/65/18/59/810651859.db2.gz VDTSCKZZQANOJB-UHFFFAOYSA-N 2 2 289.343 -0.263 20 0 CBADLP CC[NH+]1CC(n2cc(CNC(=O)[C@@H]3CCC[N@@H+]3C)nn2)C1 ZINC001094278420 810709642 /nfs/dbraw/zinc/70/96/42/810709642.db2.gz GURVQGPUMPTBOX-ZDUSSCGKSA-N 2 2 292.387 -0.135 20 0 CBADLP CC[NH+]1CC(n2cc(CNC(=O)[C@@H]3CCC[N@H+]3C)nn2)C1 ZINC001094278420 810709648 /nfs/dbraw/zinc/70/96/48/810709648.db2.gz GURVQGPUMPTBOX-ZDUSSCGKSA-N 2 2 292.387 -0.135 20 0 CBADLP CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1C)C2 ZINC001095240810 810743872 /nfs/dbraw/zinc/74/38/72/810743872.db2.gz FLRCFJJLKPHHHE-MROQNXINSA-N 2 2 294.399 -0.452 20 0 CBADLP CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1C)C2 ZINC001095240810 810743877 /nfs/dbraw/zinc/74/38/77/810743877.db2.gz FLRCFJJLKPHHHE-MROQNXINSA-N 2 2 294.399 -0.452 20 0 CBADLP CNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C2 ZINC001095240810 810743881 /nfs/dbraw/zinc/74/38/81/810743881.db2.gz FLRCFJJLKPHHHE-MROQNXINSA-N 2 2 294.399 -0.452 20 0 CBADLP CNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C2 ZINC001095240810 810743885 /nfs/dbraw/zinc/74/38/85/810743885.db2.gz FLRCFJJLKPHHHE-MROQNXINSA-N 2 2 294.399 -0.452 20 0 CBADLP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(N)=O)C1 ZINC001096348426 810774767 /nfs/dbraw/zinc/77/47/67/810774767.db2.gz OJJUQXRZIXKFFJ-NDBYEHHHSA-N 2 2 294.399 -0.465 20 0 CBADLP C[N@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(N)=O)C1 ZINC001096348426 810774774 /nfs/dbraw/zinc/77/47/74/810774774.db2.gz OJJUQXRZIXKFFJ-NDBYEHHHSA-N 2 2 294.399 -0.465 20 0 CBADLP C[NH+]1CC[C@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(N)=O)C1 ZINC001096348426 810774781 /nfs/dbraw/zinc/77/47/81/810774781.db2.gz OJJUQXRZIXKFFJ-NDBYEHHHSA-N 2 2 294.399 -0.465 20 0 CBADLP C[NH+]1CC[C@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(N)=O)C1 ZINC001096348426 810774784 /nfs/dbraw/zinc/77/47/84/810774784.db2.gz OJJUQXRZIXKFFJ-NDBYEHHHSA-N 2 2 294.399 -0.465 20 0 CBADLP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(N)=O ZINC001097848921 810824136 /nfs/dbraw/zinc/82/41/36/810824136.db2.gz WNEPKDRVTUYDIP-LOWDOPEQSA-N 2 2 294.399 -0.323 20 0 CBADLP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC(N)=O ZINC001097848921 810824144 /nfs/dbraw/zinc/82/41/44/810824144.db2.gz WNEPKDRVTUYDIP-LOWDOPEQSA-N 2 2 294.399 -0.323 20 0 CBADLP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001097848921 810824152 /nfs/dbraw/zinc/82/41/52/810824152.db2.gz WNEPKDRVTUYDIP-LOWDOPEQSA-N 2 2 294.399 -0.323 20 0 CBADLP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001097848921 810824161 /nfs/dbraw/zinc/82/41/61/810824161.db2.gz WNEPKDRVTUYDIP-LOWDOPEQSA-N 2 2 294.399 -0.323 20 0 CBADLP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(N)=O)C1 ZINC001097853344 810824298 /nfs/dbraw/zinc/82/42/98/810824298.db2.gz LCNMOOCNSLTSFK-LOWDOPEQSA-N 2 2 294.399 -0.465 20 0 CBADLP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(N)=O)C1 ZINC001097853344 810824303 /nfs/dbraw/zinc/82/43/03/810824303.db2.gz LCNMOOCNSLTSFK-LOWDOPEQSA-N 2 2 294.399 -0.465 20 0 CBADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(N)=O)C1 ZINC001097853344 810824310 /nfs/dbraw/zinc/82/43/10/810824310.db2.gz LCNMOOCNSLTSFK-LOWDOPEQSA-N 2 2 294.399 -0.465 20 0 CBADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(N)=O)C1 ZINC001097853344 810824318 /nfs/dbraw/zinc/82/43/18/810824318.db2.gz LCNMOOCNSLTSFK-LOWDOPEQSA-N 2 2 294.399 -0.465 20 0 CBADLP C[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc[nH+]c1)C2 ZINC001098492610 810849850 /nfs/dbraw/zinc/84/98/50/810849850.db2.gz XMWVYBLMJLOPEW-LPWJVIDDSA-N 2 2 278.356 -0.015 20 0 CBADLP C[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc[nH+]c1)C2 ZINC001098492610 810849860 /nfs/dbraw/zinc/84/98/60/810849860.db2.gz XMWVYBLMJLOPEW-LPWJVIDDSA-N 2 2 278.356 -0.015 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N1CCC([NH+](CCO)CCO)CC1 ZINC001098514330 810849957 /nfs/dbraw/zinc/84/99/57/810849957.db2.gz PGXAZHWLGRQNMI-UHFFFAOYSA-N 2 2 296.371 -0.770 20 0 CBADLP O=C(NCc1cc2n(n1)CCCO2)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001157083955 815404243 /nfs/dbraw/zinc/40/42/43/815404243.db2.gz XFHSTXWNXZWQTC-ZMLRMANQSA-N 2 2 291.355 -0.768 20 0 CBADLP COCC[N@@H+]1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001099804317 810944940 /nfs/dbraw/zinc/94/49/40/810944940.db2.gz LPBXBSSDDMBWBV-NWDGAFQWSA-N 2 2 296.371 -0.460 20 0 CBADLP COCC[N@H+]1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001099804317 810944945 /nfs/dbraw/zinc/94/49/45/810944945.db2.gz LPBXBSSDDMBWBV-NWDGAFQWSA-N 2 2 296.371 -0.460 20 0 CBADLP O=C(CCn1cc[nH+]c1)N[C@@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001099939966 810971627 /nfs/dbraw/zinc/97/16/27/810971627.db2.gz OSSPNIXDULGLOP-OLZOCXBDSA-N 2 2 296.371 -0.793 20 0 CBADLP O=C(CCn1cc[nH+]c1)N[C@@H]1CC[N@H+](CCCO)C[C@@H]1O ZINC001099939966 810971636 /nfs/dbraw/zinc/97/16/36/810971636.db2.gz OSSPNIXDULGLOP-OLZOCXBDSA-N 2 2 296.371 -0.793 20 0 CBADLP O=C(CCn1cc[nH+]c1)N[C@@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001099939965 810972477 /nfs/dbraw/zinc/97/24/77/810972477.db2.gz OSSPNIXDULGLOP-CHWSQXEVSA-N 2 2 296.371 -0.793 20 0 CBADLP O=C(CCn1cc[nH+]c1)N[C@@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001099939965 810972481 /nfs/dbraw/zinc/97/24/81/810972481.db2.gz OSSPNIXDULGLOP-CHWSQXEVSA-N 2 2 296.371 -0.793 20 0 CBADLP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CCF)C[C@H]1O ZINC001100083831 811016791 /nfs/dbraw/zinc/01/67/91/811016791.db2.gz WFZAQBFDQFISHB-VXGBXAGGSA-N 2 2 275.368 -0.151 20 0 CBADLP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](CCF)C[C@H]1O ZINC001100083831 811016798 /nfs/dbraw/zinc/01/67/98/811016798.db2.gz WFZAQBFDQFISHB-VXGBXAGGSA-N 2 2 275.368 -0.151 20 0 CBADLP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+](CCF)C[C@H]1O ZINC001100083831 811016801 /nfs/dbraw/zinc/01/68/01/811016801.db2.gz WFZAQBFDQFISHB-VXGBXAGGSA-N 2 2 275.368 -0.151 20 0 CBADLP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](CCF)C[C@H]1O ZINC001100083831 811016805 /nfs/dbraw/zinc/01/68/05/811016805.db2.gz WFZAQBFDQFISHB-VXGBXAGGSA-N 2 2 275.368 -0.151 20 0 CBADLP CN1CC[C@@H]([NH2+]CCCNC(=O)CCc2[nH]cc[nH+]2)C1=O ZINC001157264082 815415711 /nfs/dbraw/zinc/41/57/11/815415711.db2.gz BQXSAICHORLOTD-LLVKDONJSA-N 2 2 293.371 -0.331 20 0 CBADLP O=C(CCc1[nH]cc[nH+]1)NCCC[NH2+]CCOCCO ZINC001157264796 815415878 /nfs/dbraw/zinc/41/58/78/815415878.db2.gz KQZXZUHIBXZVEN-UHFFFAOYSA-N 2 2 284.360 -0.553 20 0 CBADLP CNC(=O)C[NH2+]C1CC(CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001100281258 811045496 /nfs/dbraw/zinc/04/54/96/811045496.db2.gz USVUIVZNTIAJJP-UHFFFAOYSA-N 2 2 293.371 -0.427 20 0 CBADLP CC[C@@]([NH3+])(CO)Nc1cc(N2CCOCC2)[nH+]cn1 ZINC001159739742 815589712 /nfs/dbraw/zinc/58/97/12/815589712.db2.gz MUYSRTBOERJLCP-LBPRGKRZSA-N 2 2 267.333 -0.218 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NCC1CC([NH2+][C@@H]2CCNC2=O)C1 ZINC001100789881 811079308 /nfs/dbraw/zinc/07/93/08/811079308.db2.gz KQIKYZDNDZNAHL-VQXHTEKXSA-N 2 2 291.355 -0.675 20 0 CBADLP CN(C)C(=O)C[NH2+]C1CC(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001101070004 811093972 /nfs/dbraw/zinc/09/39/72/811093972.db2.gz CHXVYQCFEBOKTC-UHFFFAOYSA-N 2 2 293.371 -0.544 20 0 CBADLP COC[C@@H](O)C[NH2+]C1CC(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001101071328 811094178 /nfs/dbraw/zinc/09/41/78/811094178.db2.gz CJEMILDXRCCNPW-BPCQOVAHSA-N 2 2 296.371 -0.625 20 0 CBADLP CNC(=O)[C@H](CCCC[NH3+])NC(=O)CCc1[nH]cc[nH+]1 ZINC001157322876 815422178 /nfs/dbraw/zinc/42/21/78/815422178.db2.gz BKUACUBIVFMVIC-JTQLQIEISA-N 2 2 281.360 -0.298 20 0 CBADLP CNC(=O)[C@H](CCCC[NH3+])NC(=O)Cc1c[nH]c[nH+]1 ZINC001157322974 815423457 /nfs/dbraw/zinc/42/34/57/815423457.db2.gz GUJCZGJLLBZBKN-JTQLQIEISA-N 2 2 267.333 -0.688 20 0 CBADLP C[C@H](O)C[N@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC001102616633 811161096 /nfs/dbraw/zinc/16/10/96/811161096.db2.gz LEUHFKXBCHDFRR-FRRDWIJNSA-N 2 2 280.372 -0.052 20 0 CBADLP C[C@H](O)C[N@@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC001102616633 811161099 /nfs/dbraw/zinc/16/10/99/811161099.db2.gz LEUHFKXBCHDFRR-FRRDWIJNSA-N 2 2 280.372 -0.052 20 0 CBADLP Cn1ccnc1CCNC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001157421298 815431783 /nfs/dbraw/zinc/43/17/83/815431783.db2.gz GEGUYMWTFIBXIK-UHFFFAOYSA-N 2 2 251.334 -0.840 20 0 CBADLP Cc1cc(N(C(N)=[NH2+])C(=O)[C@@H]([NH3+])CC[S@@](C)=O)n[nH]1 ZINC001157440592 815433884 /nfs/dbraw/zinc/43/38/84/815433884.db2.gz ZDEXBNNKAJUXNR-ZDVLTJLQSA-N 2 2 286.361 -0.960 20 0 CBADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C[NH2+]CCO ZINC001106877073 811317833 /nfs/dbraw/zinc/31/78/33/811317833.db2.gz LCUFBROGOSTKPX-VXGBXAGGSA-N 2 2 280.372 -0.361 20 0 CBADLP C[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001107078385 811324346 /nfs/dbraw/zinc/32/43/46/811324346.db2.gz FWEZNHVEQVSJHS-JHJVBQTASA-N 2 2 280.372 -0.052 20 0 CBADLP CCCN(CCOC)C(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001157486208 815438906 /nfs/dbraw/zinc/43/89/06/815438906.db2.gz SQLIJUMXQWCZFX-WCQYABFASA-N 2 2 255.362 -0.177 20 0 CBADLP CN(CC(F)(F)F)C(=O)[C@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001157519581 815441593 /nfs/dbraw/zinc/44/15/93/815441593.db2.gz ZDENXOVFKSPWDQ-SECBINFHSA-N 2 2 282.310 -0.243 20 0 CBADLP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@]1(C)C[NH+](CCO)CCO1 ZINC001108023725 811404501 /nfs/dbraw/zinc/40/45/01/811404501.db2.gz FKUQZEMFCCNUQK-UKRRQHHQSA-N 2 2 299.415 -0.330 20 0 CBADLP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@]1(C)C[NH+](CCO)CCO1 ZINC001108023725 811404509 /nfs/dbraw/zinc/40/45/09/811404509.db2.gz FKUQZEMFCCNUQK-UKRRQHHQSA-N 2 2 299.415 -0.330 20 0 CBADLP C[NH+]1CCCC[C@@H]1C(=O)NC[C@]1(C)C[N@H+](CCO)CCO1 ZINC001108023725 811404514 /nfs/dbraw/zinc/40/45/14/811404514.db2.gz FKUQZEMFCCNUQK-UKRRQHHQSA-N 2 2 299.415 -0.330 20 0 CBADLP C[NH+]1CCCC[C@@H]1C(=O)NC[C@]1(C)C[N@@H+](CCO)CCO1 ZINC001108023725 811404520 /nfs/dbraw/zinc/40/45/20/811404520.db2.gz FKUQZEMFCCNUQK-UKRRQHHQSA-N 2 2 299.415 -0.330 20 0 CBADLP CC[N@@H+]1CCO[C@@](C)(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001108280470 811430539 /nfs/dbraw/zinc/43/05/39/811430539.db2.gz RCLTZBQSBGUXBZ-HNNXBMFYSA-N 2 2 299.415 -0.064 20 0 CBADLP CC[N@H+]1CCO[C@@](C)(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001108280470 811430547 /nfs/dbraw/zinc/43/05/47/811430547.db2.gz RCLTZBQSBGUXBZ-HNNXBMFYSA-N 2 2 299.415 -0.064 20 0 CBADLP NC(=O)[C@H]1CCCN1c1cc(N2C[C@@H]3C[NH2+][C@@H]3C2)nc[nH+]1 ZINC001157624280 815448109 /nfs/dbraw/zinc/44/81/09/815448109.db2.gz VUDCBEAFTYNAJM-HBNTYKKESA-N 2 2 288.355 -0.661 20 0 CBADLP C[C@@]1(CNC(=O)Cn2cc[nH+]c2)C[N@H+](CCCO)CCO1 ZINC001108439697 811448495 /nfs/dbraw/zinc/44/84/95/811448495.db2.gz RPKUUMSPTRRYCJ-CQSZACIVSA-N 2 2 296.371 -0.527 20 0 CBADLP C[C@@]1(CNC(=O)Cn2cc[nH+]c2)C[N@@H+](CCCO)CCO1 ZINC001108439697 811448500 /nfs/dbraw/zinc/44/85/00/811448500.db2.gz RPKUUMSPTRRYCJ-CQSZACIVSA-N 2 2 296.371 -0.527 20 0 CBADLP C[N@@H+]1CCCn2nc(C(=O)N3CC(C)([NH3+])C3)cc2C1 ZINC001157674463 815451479 /nfs/dbraw/zinc/45/14/79/815451479.db2.gz WWMGOVYEMTUKLY-UHFFFAOYSA-N 2 2 263.345 -0.108 20 0 CBADLP C[N@H+]1CCCn2nc(C(=O)N3CC(C)([NH3+])C3)cc2C1 ZINC001157674463 815451481 /nfs/dbraw/zinc/45/14/81/815451481.db2.gz WWMGOVYEMTUKLY-UHFFFAOYSA-N 2 2 263.345 -0.108 20 0 CBADLP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC)[NH+](C)C ZINC001109446731 811496616 /nfs/dbraw/zinc/49/66/16/811496616.db2.gz WZGMUUPFAOVISB-XQHKEYJVSA-N 2 2 296.415 -0.206 20 0 CBADLP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC)[NH+](C)C ZINC001109446731 811496624 /nfs/dbraw/zinc/49/66/24/811496624.db2.gz WZGMUUPFAOVISB-XQHKEYJVSA-N 2 2 296.415 -0.206 20 0 CBADLP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001109673468 811499846 /nfs/dbraw/zinc/49/98/46/811499846.db2.gz KRUGDFKSSJVRFI-VWYCJHECSA-N 2 2 268.361 -0.855 20 0 CBADLP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001109673468 811499849 /nfs/dbraw/zinc/49/98/49/811499849.db2.gz KRUGDFKSSJVRFI-VWYCJHECSA-N 2 2 268.361 -0.855 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)CCCO1 ZINC001157704270 815454702 /nfs/dbraw/zinc/45/47/02/815454702.db2.gz WJLBQUTXAJQOMP-PWSUYJOCSA-N 2 2 266.345 -0.073 20 0 CBADLP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001110981173 811536051 /nfs/dbraw/zinc/53/60/51/811536051.db2.gz KRUGDFKSSJVRFI-MXWKQRLJSA-N 2 2 268.361 -0.855 20 0 CBADLP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001110981173 811536055 /nfs/dbraw/zinc/53/60/55/811536055.db2.gz KRUGDFKSSJVRFI-MXWKQRLJSA-N 2 2 268.361 -0.855 20 0 CBADLP CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001111465292 811549874 /nfs/dbraw/zinc/54/98/74/811549874.db2.gz NTNNYQXKFCTTRN-UPJWGTAASA-N 2 2 296.415 -0.206 20 0 CBADLP CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001111465292 811549883 /nfs/dbraw/zinc/54/98/83/811549883.db2.gz NTNNYQXKFCTTRN-UPJWGTAASA-N 2 2 296.415 -0.206 20 0 CBADLP CNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)C(C)C)C2 ZINC001111465292 811549889 /nfs/dbraw/zinc/54/98/89/811549889.db2.gz NTNNYQXKFCTTRN-UPJWGTAASA-N 2 2 296.415 -0.206 20 0 CBADLP CNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)C(C)C)C2 ZINC001111465292 811549898 /nfs/dbraw/zinc/54/98/98/811549898.db2.gz NTNNYQXKFCTTRN-UPJWGTAASA-N 2 2 296.415 -0.206 20 0 CBADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CCC[C@@H](F)C(=O)C1 ZINC001157730595 815458604 /nfs/dbraw/zinc/45/86/04/815458604.db2.gz MXRFGLSFWBHNNR-ZRUFSTJUSA-N 2 2 269.320 -0.534 20 0 CBADLP [NH3+]C[C@]1(F)CCCN(C(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)CC1 ZINC001157730816 815459004 /nfs/dbraw/zinc/45/90/04/815459004.db2.gz PLCHXSABUUALTN-YPMHNXCESA-N 3 2 283.351 -0.041 20 0 CBADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H](F)C[C@H](CO)C1 ZINC001157730769 815459293 /nfs/dbraw/zinc/45/92/93/815459293.db2.gz ONDQXRYETDVFHV-NGZCFLSTSA-N 2 2 270.308 -0.542 20 0 CBADLP [NH3+]C1(C(=O)N2CC(F)(F)CC[C@H]2CO)CC[NH2+]CC1 ZINC001157731061 815459394 /nfs/dbraw/zinc/45/93/94/815459394.db2.gz VIXYDJUCMTXTLY-VIFPVBQESA-N 2 2 277.315 -0.314 20 0 CBADLP [NH3+]C1(C(=O)N2CCC[C@@H](F)C(=O)C2)CC[NH2+]CC1 ZINC001157730915 815459565 /nfs/dbraw/zinc/45/95/65/815459565.db2.gz UKWOYIXGCBVTQY-SECBINFHSA-N 2 2 257.309 -0.403 20 0 CBADLP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[NH+](CCOCCO)CC1 ZINC001113018853 811615996 /nfs/dbraw/zinc/61/59/96/811615996.db2.gz CIFLRBIAKDAIGR-AWEZNQCLSA-N 2 2 299.415 -0.376 20 0 CBADLP C[N@H+]1CCCC[C@H]1C(=O)N1CC[NH+](CCOCCO)CC1 ZINC001113018853 811616001 /nfs/dbraw/zinc/61/60/01/811616001.db2.gz CIFLRBIAKDAIGR-AWEZNQCLSA-N 2 2 299.415 -0.376 20 0 CBADLP C[NH+](C)CCC(=O)N1CC[NH+](CCN2CCCC2=O)CC1 ZINC001113301696 811631155 /nfs/dbraw/zinc/63/11/55/811631155.db2.gz UXCMMOOFDOIAER-UHFFFAOYSA-N 2 2 296.415 -0.295 20 0 CBADLP CN1CCC[C@@H]([NH+]2CCN(C(=O)CC[NH+](C)C)CC2)C1=O ZINC001113300408 811631210 /nfs/dbraw/zinc/63/12/10/811631210.db2.gz UVAFDSGHPBSGQG-CYBMUJFWSA-N 2 2 296.415 -0.297 20 0 CBADLP CC[C@@H](C(=O)N1CC[NH+](CCOCCO)CC1)[NH+](C)C ZINC001113351059 811633188 /nfs/dbraw/zinc/63/31/88/811633188.db2.gz KATXKBMVXPPKBK-ZDUSSCGKSA-N 2 2 287.404 -0.520 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCC[C@](O)(CF)CC2)C1 ZINC001157780049 815465375 /nfs/dbraw/zinc/46/53/75/815465375.db2.gz BEXSPTNQBRENAY-JFGNBEQYSA-N 2 2 259.325 -0.611 20 0 CBADLP CC[N@H+](C)CCC(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC001113495758 811644235 /nfs/dbraw/zinc/64/42/35/811644235.db2.gz WXLUBKNYWOOHKO-UHFFFAOYSA-N 2 2 294.403 -0.236 20 0 CBADLP CC[N@@H+](C)CCC(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC001113495758 811644241 /nfs/dbraw/zinc/64/42/41/811644241.db2.gz WXLUBKNYWOOHKO-UHFFFAOYSA-N 2 2 294.403 -0.236 20 0 CBADLP CCOCC[NH+]1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001113538604 811645372 /nfs/dbraw/zinc/64/53/72/811645372.db2.gz XDXXDPBODUFJFV-UHFFFAOYSA-N 2 2 287.404 -0.255 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N1CC[NH+](CCOCCO)CC1 ZINC001113634403 811651820 /nfs/dbraw/zinc/65/18/20/811651820.db2.gz BARAXKKSQSQPII-UHFFFAOYSA-N 2 2 296.371 -0.655 20 0 CBADLP C[C@@H]1CCN(C(=O)[C@H](CO)n2cc[nH+]c2)C[C@@H]1[NH3+] ZINC001157794012 815466789 /nfs/dbraw/zinc/46/67/89/815466789.db2.gz QMQCRDKMWDTZCY-VWYCJHECSA-N 2 2 252.318 -0.388 20 0 CBADLP [NH3+]C[C@]1(F)CCCN(C(=O)[C@@H]2C[C@H]([NH3+])C[NH2+]2)CC1 ZINC001157754905 815463069 /nfs/dbraw/zinc/46/30/69/815463069.db2.gz MWMLRFMPUNPTCK-NHCYSSNCSA-N 3 2 258.341 -0.645 20 0 CBADLP C[C@H]1[C@@H](C[NH3+])CCCN1C(=O)C1([NH3+])CC[NH2+]CC1 ZINC001157843064 815470753 /nfs/dbraw/zinc/47/07/53/815470753.db2.gz OTCXNMZAUKEZBH-WDEREUQCSA-N 3 2 254.378 -0.347 20 0 CBADLP C[C@@H]1[C@H](C[NH3+])CCCN1C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001157842061 815471097 /nfs/dbraw/zinc/47/10/97/815471097.db2.gz IXKMOKSAHKPGFM-QNWJLWSRSA-N 3 2 266.389 -0.478 20 0 CBADLP C[C@H]1[C@H](C[NH3+])CCCN1C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001157844303 815471226 /nfs/dbraw/zinc/47/12/26/815471226.db2.gz VWXOMMRBBJAHRM-NHCYSSNCSA-N 3 2 265.361 -0.135 20 0 CBADLP C[C@H]1C[C@@H](CO)N(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)C1 ZINC001157853580 815471951 /nfs/dbraw/zinc/47/19/51/815471951.db2.gz HDVUFEIBEXZPEY-UHFZAUJKSA-N 2 2 253.346 -0.834 20 0 CBADLP C[C@@H]1CC[C@H](CO)CN1C(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001157856546 815473673 /nfs/dbraw/zinc/47/36/73/815473673.db2.gz VNFUMRXHEFCOKM-JFGNBEQYSA-N 2 2 266.345 -0.101 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2C[C@@H](CO)CC(F)(F)C2)C1 ZINC001157899698 815477888 /nfs/dbraw/zinc/47/78/88/815477888.db2.gz BMLLTXHVRKWPSZ-YIZRAAEISA-N 2 2 263.288 -0.848 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1C[C@H](CO)CC(F)(F)C1 ZINC001157900021 815477908 /nfs/dbraw/zinc/47/79/08/815477908.db2.gz DUVLOGBSHTXWOQ-VGMNWLOBSA-N 2 2 263.288 -0.991 20 0 CBADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1C[C@H](CO)CC(F)(F)C1 ZINC001157900417 815477981 /nfs/dbraw/zinc/47/79/81/815477981.db2.gz IUHJSFOXFVYMJO-VPOLOUISSA-N 2 2 289.326 -0.588 20 0 CBADLP C[C@@]1(O)CCN(C(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)C[C@@H]1F ZINC001157900426 815478102 /nfs/dbraw/zinc/47/81/02/815478102.db2.gz IYIJHPICWFDGCJ-YRRQLQLVSA-N 2 2 271.336 -0.741 20 0 CBADLP C[C@]1(CO)CCCN(C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])CC1 ZINC001157901284 815478695 /nfs/dbraw/zinc/47/86/95/815478695.db2.gz YWFVUQRDCKUKLQ-GVXVVHGQSA-N 2 2 255.362 -0.456 20 0 CBADLP C[C@@]1(CO)CCCN(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)CC1 ZINC001157901226 815478983 /nfs/dbraw/zinc/47/89/83/815478983.db2.gz XRXUSINVUKFGRM-NTZNESFSSA-N 2 2 255.362 -0.313 20 0 CBADLP O=C(N1C[C@H](CO)CC(F)(F)C1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001157901430 815479142 /nfs/dbraw/zinc/47/91/42/815479142.db2.gz ZYOQIBNZAMSADP-GIPNMCIBSA-N 2 2 289.326 -0.586 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CCC[C@@H](C(F)(F)F)[C@H]1CO ZINC001157905101 815480068 /nfs/dbraw/zinc/48/00/68/815480068.db2.gz PNEGJGXLEMRYGL-QCLAVDOMSA-N 2 2 295.305 -0.305 20 0 CBADLP C[NH+]1CCN(c2ccc(-n3cnc(C[NH3+])n3)nn2)CC1 ZINC001157926677 815484851 /nfs/dbraw/zinc/48/48/51/815484851.db2.gz PFXLGUJPIOQMQA-UHFFFAOYSA-N 2 2 274.332 -0.732 20 0 CBADLP CC1(C)CN(C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])[C@@](C)(CO)C1 ZINC001157926383 815485219 /nfs/dbraw/zinc/48/52/19/815485219.db2.gz PJMRLFBQILLWOL-OUJBWJOFSA-N 2 2 255.362 -0.457 20 0 CBADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001157969112 815493017 /nfs/dbraw/zinc/49/30/17/815493017.db2.gz LTEGSSFEPHAMNQ-MELADBBJSA-N 3 2 274.368 -0.151 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CC[C@@](C)(O)C1 ZINC001157997234 815495890 /nfs/dbraw/zinc/49/58/90/815495890.db2.gz KVWPFVXNFAQWDJ-CMPLNLGQSA-N 2 2 252.318 -0.727 20 0 CBADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])CC1CCC1 ZINC001157997656 815496009 /nfs/dbraw/zinc/49/60/09/815496009.db2.gz BRDJVKUORWADOY-NWDGAFQWSA-N 2 2 283.372 -0.133 20 0 CBADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@H]1CCCC[NH2+]C1 ZINC001157999537 815496774 /nfs/dbraw/zinc/49/67/74/815496774.db2.gz SLAKPXTXDPBEBG-NWDGAFQWSA-N 2 2 283.372 -0.260 20 0 CBADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)C1CC2(C[NH2+]C2)C1 ZINC001157998782 815496796 /nfs/dbraw/zinc/49/67/96/815496796.db2.gz HQNSWQQHPKCNOY-LLVKDONJSA-N 2 2 281.356 -0.651 20 0 CBADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@@H](C[NH3+])C(C)C ZINC001157999779 815497460 /nfs/dbraw/zinc/49/74/60/815497460.db2.gz UMRRFGHKHYPDEB-WDEREUQCSA-N 2 2 271.361 -0.419 20 0 CBADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC001158000743 815497491 /nfs/dbraw/zinc/49/74/91/815497491.db2.gz ZHZFIYJOWMZCKZ-GMTAPVOTSA-N 2 2 269.345 -0.523 20 0 CBADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@@H]1C[C@@H](F)CC[NH2+]1 ZINC001157999241 815497509 /nfs/dbraw/zinc/49/75/09/815497509.db2.gz PFCCFGOQJSXXDJ-GARJFASQSA-N 2 2 287.335 -0.560 20 0 CBADLP COC(=O)[C@@H]1C[C@H](F)CN1C(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001158014894 815498598 /nfs/dbraw/zinc/49/85/98/815498598.db2.gz OUNIVOXZIAFPKT-YVNDNENWSA-N 2 2 285.319 -0.950 20 0 CBADLP [NH3+]C1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]([NH3+])C[NH2+]1)CC2 ZINC001158083280 815502800 /nfs/dbraw/zinc/50/28/00/815502800.db2.gz ZYXWEOZCULHTHZ-ONGXEEELSA-N 3 2 252.362 -0.595 20 0 CBADLP O=C(N1CCC2(C[C@@H]2CCO)CC1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001158112115 815505081 /nfs/dbraw/zinc/50/50/81/815505081.db2.gz VOEZFBSEJQMKPB-HEHGZKQESA-N 2 2 293.411 -0.051 20 0 CBADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CCC[C@]12CCC[NH2+]C2 ZINC001158162778 815506858 /nfs/dbraw/zinc/50/68/58/815506858.db2.gz ZNBBHJHPGDDTEV-XPCVCDNBSA-N 3 2 278.400 -0.319 20 0 CBADLP C[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH+]cn1C ZINC001115190846 812184862 /nfs/dbraw/zinc/18/48/62/812184862.db2.gz YNEKAWRJYQUMDN-PBOSXPJTSA-N 2 2 292.383 -0.220 20 0 CBADLP C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH+]cn1C ZINC001115190846 812184865 /nfs/dbraw/zinc/18/48/65/812184865.db2.gz YNEKAWRJYQUMDN-PBOSXPJTSA-N 2 2 292.383 -0.220 20 0 CBADLP NC(=O)c1cnc(Cl)nc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001158203883 815512637 /nfs/dbraw/zinc/51/26/37/815512637.db2.gz IUJPSJATULLENV-ZCFIWIBFSA-N 2 2 296.718 -0.723 20 0 CBADLP COc1nc(Cl)nc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001158203746 815512904 /nfs/dbraw/zinc/51/29/04/815512904.db2.gz HJIKZLUADYRNEO-ZCFIWIBFSA-N 2 2 284.707 -0.419 20 0 CBADLP CCOC(=O)c1nccnc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001158204934 815513601 /nfs/dbraw/zinc/51/36/01/815513601.db2.gz WKWRPCLUMBDXHY-SECBINFHSA-N 2 2 291.311 -0.299 20 0 CBADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccc2c(n1)CC[NH2+]C2 ZINC001158204341 815513852 /nfs/dbraw/zinc/51/38/52/815513852.db2.gz XKYBLJKBSWXACZ-LLVKDONJSA-N 3 2 273.340 -0.225 20 0 CBADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccc2c(n1)NC(=O)CO2 ZINC001158206207 815514126 /nfs/dbraw/zinc/51/41/26/815514126.db2.gz CWXZYHCCFWGNPN-MRVPVSSYSA-N 2 2 289.295 -0.540 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CC2CC1(C[NH3+])C2 ZINC001158185740 815510296 /nfs/dbraw/zinc/51/02/96/815510296.db2.gz BXNQNQUNSCBYAD-QDYJBQRPSA-N 3 2 263.345 -0.760 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CC2(C1)CCCO2 ZINC001158235383 815514953 /nfs/dbraw/zinc/51/49/53/815514953.db2.gz HLMYUVDVQMPYMI-NSHDSACASA-N 2 2 264.329 -0.319 20 0 CBADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC2(C1)CCCO2 ZINC001158236208 815515356 /nfs/dbraw/zinc/51/53/56/815515356.db2.gz YSUQQANALUWMKH-SNVBAGLBSA-N 2 2 250.302 -0.329 20 0 CBADLP O=C(N1C[C@@H]2C[C@@H]2[C@@H](F)C1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001158326944 815520386 /nfs/dbraw/zinc/52/03/86/815520386.db2.gz BEKOLHWREOTSGW-VGDATSSVSA-N 2 2 253.321 -0.246 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](Nc2ncc(C)c(C3C[NH2+]C3)n2)C[NH2+]1 ZINC001158259221 815517132 /nfs/dbraw/zinc/51/71/32/815517132.db2.gz GIVMDKWUONHEHN-MNOVXSKESA-N 2 2 291.355 -0.213 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCC[C@@H]2[NH2+]C[C@H]21 ZINC001158414265 815526465 /nfs/dbraw/zinc/52/64/65/815526465.db2.gz FFIQJUOCQSIZSK-SDDRHHMPSA-N 3 2 263.345 -0.747 20 0 CBADLP C[NH+]1CCN(c2cccc(N[C@@H](CO)C(N)=O)[nH+]2)CC1 ZINC001158442249 815530906 /nfs/dbraw/zinc/53/09/06/815530906.db2.gz CJUWBABNOMIACR-JTQLQIEISA-N 2 2 279.344 -0.909 20 0 CBADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C(C)(C)C)CC2)CC[NH2+]1 ZINC001118059812 812466733 /nfs/dbraw/zinc/46/67/33/812466733.db2.gz SYDKGTSCTRWGRI-GFCCVEGCSA-N 2 2 296.415 -0.251 20 0 CBADLP Cc1[nH+]ccn1CCC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001118089025 812469265 /nfs/dbraw/zinc/46/92/65/812469265.db2.gz RNMWCHGOPNHAQJ-OAHLLOKOSA-N 2 2 295.431 -0.220 20 0 CBADLP [NH3+]C1(c2noc(CN3CC[NH2+]CC3=O)n2)CCC1 ZINC001118237895 812502984 /nfs/dbraw/zinc/50/29/84/812502984.db2.gz PJAKSKSSTXKJPD-UHFFFAOYSA-N 2 2 251.290 -0.661 20 0 CBADLP COC(=O)[C@@H]([NH3+])CC(=O)N1C[C@H](C2([NH3+])CC2)[C@H](CF)C1 ZINC001158568758 815538306 /nfs/dbraw/zinc/53/83/06/815538306.db2.gz SNXLANSVWWLKFE-UTLUCORTSA-N 2 2 287.335 -0.588 20 0 CBADLP NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C[C@H]2CCC[NH2+]2)C1 ZINC001118287314 812519620 /nfs/dbraw/zinc/51/96/20/812519620.db2.gz VOXPWGLGPIJAIL-GHMZBOCLSA-N 2 2 268.361 -0.806 20 0 CBADLP NC(=O)C[N@H+]1CCC[C@@H](NC(=O)C[C@H]2CCC[NH2+]2)C1 ZINC001118287314 812519626 /nfs/dbraw/zinc/51/96/26/812519626.db2.gz VOXPWGLGPIJAIL-GHMZBOCLSA-N 2 2 268.361 -0.806 20 0 CBADLP NC(=O)C[N@@H+]1CCC[C@H](NC(=O)C2([NH3+])CCCC2)C1 ZINC001118286480 812519748 /nfs/dbraw/zinc/51/97/48/812519748.db2.gz GBGZEMAZDYBDSC-JTQLQIEISA-N 2 2 268.361 -0.676 20 0 CBADLP NC(=O)C[N@H+]1CCC[C@H](NC(=O)C2([NH3+])CCCC2)C1 ZINC001118286480 812519753 /nfs/dbraw/zinc/51/97/53/812519753.db2.gz GBGZEMAZDYBDSC-JTQLQIEISA-N 2 2 268.361 -0.676 20 0 CBADLP C[N@@H+]1CCC[C@@H]1c1cc(C(=O)NCCC[NH2+]CCO)[nH]n1 ZINC001158471630 815535399 /nfs/dbraw/zinc/53/53/99/815535399.db2.gz MOYCMXDTFXVVTP-CYBMUJFWSA-N 2 2 295.387 -0.122 20 0 CBADLP C[N@H+]1CCC[C@@H]1c1cc(C(=O)NCCC[NH2+]CCO)[nH]n1 ZINC001158471630 815535402 /nfs/dbraw/zinc/53/54/02/815535402.db2.gz MOYCMXDTFXVVTP-CYBMUJFWSA-N 2 2 295.387 -0.122 20 0 CBADLP CCOC(=O)[C@]12C[C@H]1CCN2C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001158534528 815537190 /nfs/dbraw/zinc/53/71/90/815537190.db2.gz TUNCYBICBWASEN-DNJQJEMRSA-N 2 2 267.329 -0.770 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@@H]2C[C@@H](F)CC[NH2+]2)CC1 ZINC001158604459 815540344 /nfs/dbraw/zinc/54/03/44/815540344.db2.gz NHNQESHCDMWPGL-RYUDHWBXSA-N 2 2 273.352 -0.133 20 0 CBADLP C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001158628856 815540711 /nfs/dbraw/zinc/54/07/11/815540711.db2.gz ANTYSBKHICUDDA-OUCADQQQSA-N 3 2 297.447 -0.712 20 0 CBADLP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001158628856 815540716 /nfs/dbraw/zinc/54/07/16/815540716.db2.gz ANTYSBKHICUDDA-OUCADQQQSA-N 3 2 297.447 -0.712 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@@H]([NH3+])C2CCC(O)CC2)CC1 ZINC001158605194 815541276 /nfs/dbraw/zinc/54/12/76/815541276.db2.gz WEXSUTJEPXVDGJ-RUXDESIVSA-N 2 2 299.415 -0.345 20 0 CBADLP C[N@@H+]1CCO[C@H]2CN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])C[C@H]21 ZINC001158803836 815548545 /nfs/dbraw/zinc/54/85/45/815548545.db2.gz IYJUXPCXFHSMSD-XQQFMLRXSA-N 3 2 284.404 -0.626 20 0 CBADLP C[N@H+]1CCO[C@H]2CN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])C[C@H]21 ZINC001158803836 815548548 /nfs/dbraw/zinc/54/85/48/815548548.db2.gz IYJUXPCXFHSMSD-XQQFMLRXSA-N 3 2 284.404 -0.626 20 0 CBADLP CN(C[C@@H](O)CO)C(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001158805138 815549099 /nfs/dbraw/zinc/54/90/99/815549099.db2.gz ZJXRRQQHRACYRT-VXGBXAGGSA-N 2 2 267.329 -0.930 20 0 CBADLP C[C@H]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]4C[NH2+]C[C@H]4[NH2+]3)CC[C@H]2O1 ZINC001158856762 815551021 /nfs/dbraw/zinc/55/10/21/815551021.db2.gz QYTYVMNPWDKZDI-SNIKSBKOSA-N 2 2 279.384 -0.038 20 0 CBADLP C[C@H]([NH3+])CCNC(=O)C(=O)NCCCCn1cc[nH+]c1 ZINC001119351652 812762656 /nfs/dbraw/zinc/76/26/56/812762656.db2.gz YZDXGKOARQVDSI-NSHDSACASA-N 2 2 281.360 -0.367 20 0 CBADLP O=C1NC[C@@H](O)CC12CC[NH+](C[C@H]1CCC[NH2+]1)CC2 ZINC001119617437 812834353 /nfs/dbraw/zinc/83/43/53/812834353.db2.gz PFBAUFVFRPYZGW-NEPJUHHUSA-N 2 2 267.373 -0.299 20 0 CBADLP COC[C@H](C)NC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001120555096 812990575 /nfs/dbraw/zinc/99/05/75/812990575.db2.gz RXJHKOBTZRSBIP-JTQLQIEISA-N 2 2 258.366 -0.256 20 0 CBADLP CC[NH+]1CCN([C@H](C)C[NH2+]CCS(C)(=O)=O)CC1 ZINC001120569981 812992501 /nfs/dbraw/zinc/99/25/01/812992501.db2.gz NVPGNVXNXFDKAB-GFCCVEGCSA-N 2 2 277.434 -0.353 20 0 CBADLP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)CC1 ZINC001120596351 812997771 /nfs/dbraw/zinc/99/77/71/812997771.db2.gz SXSCEQYCEUQHRS-JKSUJKDBSA-N 3 2 298.475 -0.084 20 0 CBADLP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)CC1 ZINC001120596351 812997774 /nfs/dbraw/zinc/99/77/74/812997774.db2.gz SXSCEQYCEUQHRS-JKSUJKDBSA-N 3 2 298.475 -0.084 20 0 CBADLP COC(=O)c1c[nH]c2nc[nH+]c(NCCN(C)CC[NH3+])c12 ZINC001159438066 815572644 /nfs/dbraw/zinc/57/26/44/815572644.db2.gz ARMGCFCFHQXBFR-UHFFFAOYSA-N 2 2 292.343 -0.002 20 0 CBADLP Cc1cc[nH+]c(NCCOCCOCC[NH3+])c1C(N)=O ZINC001159444246 815573430 /nfs/dbraw/zinc/57/34/30/815573430.db2.gz BEJDLLYFJFLJBZ-UHFFFAOYSA-N 2 2 282.344 -0.107 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C[C@]1(O)CCC[NH2+]C1 ZINC001121991507 813100798 /nfs/dbraw/zinc/10/07/98/813100798.db2.gz SLJDXBAHKSLXLH-DGCLKSJQSA-N 2 2 266.345 -0.108 20 0 CBADLP CC1(C)C[N@H+](CCNC(=O)[C@@H]2C[C@@H]2C[NH3+])CCO1 ZINC001121997561 813102423 /nfs/dbraw/zinc/10/24/23/813102423.db2.gz WWBHHLFHJREVRZ-GHMZBOCLSA-N 2 2 255.362 -0.192 20 0 CBADLP CC1(C)C[N@@H+](CCNC(=O)[C@@H]2C[C@@H]2C[NH3+])CCO1 ZINC001121997561 813102430 /nfs/dbraw/zinc/10/24/30/813102430.db2.gz WWBHHLFHJREVRZ-GHMZBOCLSA-N 2 2 255.362 -0.192 20 0 CBADLP C[NH2+]C[C@@H](O)[C@H](C)C(=O)N(C)CCCn1cc[nH+]c1 ZINC001122046386 813109267 /nfs/dbraw/zinc/10/92/67/813109267.db2.gz MKDRPSPWGTUMCY-NWDGAFQWSA-N 2 2 268.361 -0.052 20 0 CBADLP Cc1c(C(=O)NCC[NH+]2CCC([NH3+])CC2)nnn1C ZINC001122157538 813125662 /nfs/dbraw/zinc/12/56/62/813125662.db2.gz OLVWJUUECJGVDI-UHFFFAOYSA-N 2 2 266.349 -0.724 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)[C@@H]2CCCC[NH2+]2)CC1 ZINC001122238603 813137554 /nfs/dbraw/zinc/13/75/54/813137554.db2.gz HUGBPIMUUJALLQ-LBPRGKRZSA-N 3 2 254.378 -0.332 20 0 CBADLP CC[C@H]([NH2+]CCCNC(=O)CCc1c[nH]c[nH+]1)C(N)=O ZINC001159537199 815580074 /nfs/dbraw/zinc/58/00/74/815580074.db2.gz OKICYSFBHXZUNH-NSHDSACASA-N 2 2 281.360 -0.298 20 0 CBADLP CC[C@H]([NH2+]CCCNC(=O)CCc1c[nH+]c[nH]1)C(N)=O ZINC001159537199 815580081 /nfs/dbraw/zinc/58/00/81/815580081.db2.gz OKICYSFBHXZUNH-NSHDSACASA-N 2 2 281.360 -0.298 20 0 CBADLP COC[C@H]1C[NH2+]CCN1C(=O)C[C@@H]([NH3+])C(F)F ZINC001122417304 813162560 /nfs/dbraw/zinc/16/25/60/813162560.db2.gz CYRLESGIFVYFBU-HTQZYQBOSA-N 2 2 251.277 -0.584 20 0 CBADLP O=C(/C=C\C[NH+]1CCOCC1)N[C@@H]1C[NH2+]CC12CC2 ZINC001122498076 813171039 /nfs/dbraw/zinc/17/10/39/813171039.db2.gz JSCPEABALBWSJP-UDSFMNFJSA-N 2 2 265.357 -0.257 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C1(C)C[NH2+]C1 ZINC001122526397 813173312 /nfs/dbraw/zinc/17/33/12/813173312.db2.gz URJLGXZZIRVJHB-NSHDSACASA-N 2 2 255.362 -0.225 20 0 CBADLP Cc1nc(NC[C@H](O)CN(C)C(=O)CC[NH+](C)C)cc[nH+]1 ZINC001124715020 813471654 /nfs/dbraw/zinc/47/16/54/813471654.db2.gz TXDPIVMYYAZDPK-LBPRGKRZSA-N 2 2 295.387 -0.032 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ncccn1 ZINC001124873005 813491397 /nfs/dbraw/zinc/49/13/97/813491397.db2.gz QXUVWTGBCVLQJB-NSHDSACASA-N 2 2 263.345 -0.223 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ncccn1 ZINC001124873005 813491400 /nfs/dbraw/zinc/49/14/00/813491400.db2.gz QXUVWTGBCVLQJB-NSHDSACASA-N 2 2 263.345 -0.223 20 0 CBADLP Cc1nnc(C[NH2+]CCNC(=O)[C@@H]2CCC[N@H+]2C)[nH]1 ZINC001124877582 813494285 /nfs/dbraw/zinc/49/42/85/813494285.db2.gz GTTYHGMYMLKHSE-JTQLQIEISA-N 2 2 266.349 -0.587 20 0 CBADLP Cc1nnc(C[NH2+]CCNC(=O)[C@@H]2CCC[N@@H+]2C)[nH]1 ZINC001124877582 813494289 /nfs/dbraw/zinc/49/42/89/813494289.db2.gz GTTYHGMYMLKHSE-JTQLQIEISA-N 2 2 266.349 -0.587 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2cnns2)C1 ZINC001125220138 813531715 /nfs/dbraw/zinc/53/17/15/813531715.db2.gz CPBASJSWKBHZQA-JTQLQIEISA-N 2 2 285.373 -0.926 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2cnns2)C1 ZINC001125220138 813531722 /nfs/dbraw/zinc/53/17/22/813531722.db2.gz CPBASJSWKBHZQA-JTQLQIEISA-N 2 2 285.373 -0.926 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2ccccn2)C1 ZINC001125213308 813533250 /nfs/dbraw/zinc/53/32/50/813533250.db2.gz DIZWJNISOHGUSM-ZDUSSCGKSA-N 2 2 278.356 -0.382 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2ccccn2)C1 ZINC001125213308 813533255 /nfs/dbraw/zinc/53/32/55/813533255.db2.gz DIZWJNISOHGUSM-ZDUSSCGKSA-N 2 2 278.356 -0.382 20 0 CBADLP COCCOCC[NH2+]CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001126436792 813647736 /nfs/dbraw/zinc/64/77/36/813647736.db2.gz MEDFDQHITZLRLC-UHFFFAOYSA-N 2 2 284.360 -0.289 20 0 CBADLP O=C(CCc1[nH]cc[nH+]1)NCC[NH2+]CC(=O)N1CCC1 ZINC001126433143 813648176 /nfs/dbraw/zinc/64/81/76/813648176.db2.gz YZNKXYYPZIJZFN-UHFFFAOYSA-N 2 2 279.344 -0.720 20 0 CBADLP C[C@@H]([NH2+]CCNC(=O)CCc1[nH]cc[nH+]1)C(=O)N(C)C ZINC001126447941 813649418 /nfs/dbraw/zinc/64/94/18/813649418.db2.gz MINHJSZCSFWKSX-SNVBAGLBSA-N 2 2 281.360 -0.475 20 0 CBADLP C[C@H](O)C[NH2+]CCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001127772228 813747491 /nfs/dbraw/zinc/74/74/91/813747491.db2.gz FHRUBOIYADSNRB-GWCFXTLKSA-N 2 2 295.387 -0.123 20 0 CBADLP C[C@H](O)C[NH2+]CCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001127772228 813747498 /nfs/dbraw/zinc/74/74/98/813747498.db2.gz FHRUBOIYADSNRB-GWCFXTLKSA-N 2 2 295.387 -0.123 20 0 CBADLP O=C(NCC[NH2+]Cc1cnon1)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127784820 813749004 /nfs/dbraw/zinc/74/90/04/813749004.db2.gz BNZZXGCUBRFNCY-RYUDHWBXSA-N 2 2 295.343 -0.861 20 0 CBADLP O=C(NCC[NH2+]Cc1cnon1)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127784820 813749009 /nfs/dbraw/zinc/74/90/09/813749009.db2.gz BNZZXGCUBRFNCY-RYUDHWBXSA-N 2 2 295.343 -0.861 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)NCC[NH2+]CCOCCO ZINC001128967367 813812179 /nfs/dbraw/zinc/81/21/79/813812179.db2.gz NSNVWTYKDQURME-UHFFFAOYSA-N 2 2 270.333 -0.943 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)NCC[NH2+]CCOCCO ZINC001128967367 813812189 /nfs/dbraw/zinc/81/21/89/813812189.db2.gz NSNVWTYKDQURME-UHFFFAOYSA-N 2 2 270.333 -0.943 20 0 CBADLP COCCOCC[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001129891624 813876403 /nfs/dbraw/zinc/87/64/03/813876403.db2.gz PMIUQVSJVLOMQR-VXGBXAGGSA-N 2 2 296.371 -0.118 20 0 CBADLP COCCOCC[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001129891624 813876415 /nfs/dbraw/zinc/87/64/15/813876415.db2.gz PMIUQVSJVLOMQR-VXGBXAGGSA-N 2 2 296.371 -0.118 20 0 CBADLP C[C@@H](O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001129891592 813876528 /nfs/dbraw/zinc/87/65/28/813876528.db2.gz OEWADKMZHMKNMJ-OPRDCNLKSA-N 2 2 252.318 -0.400 20 0 CBADLP C[C@@H](O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001129891592 813876534 /nfs/dbraw/zinc/87/65/34/813876534.db2.gz OEWADKMZHMKNMJ-OPRDCNLKSA-N 2 2 252.318 -0.400 20 0 CBADLP COc1cc[nH+]cc1CC(=O)NCC[NH2+]C[C@H](C)O ZINC001130176138 813913107 /nfs/dbraw/zinc/91/31/07/813913107.db2.gz DATXIMWHNGTQCU-JTQLQIEISA-N 2 2 267.329 -0.281 20 0 CBADLP Cc1cc(C[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)on1 ZINC001130180187 813913516 /nfs/dbraw/zinc/91/35/16/813913516.db2.gz GKHQREULJPLVRL-DGCLKSJQSA-N 2 2 296.371 -0.092 20 0 CBADLP Cc1cc(C[NH2+]CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)on1 ZINC001130180187 813913519 /nfs/dbraw/zinc/91/35/19/813913519.db2.gz GKHQREULJPLVRL-DGCLKSJQSA-N 2 2 296.371 -0.092 20 0 CBADLP CCCn1nnnc1C[NH2+]CCNC(=O)[C@@H](CC)[NH+](C)C ZINC001130205874 813919055 /nfs/dbraw/zinc/91/90/55/813919055.db2.gz ZHVPGHQRFUHMSG-LLVKDONJSA-N 2 2 297.407 -0.371 20 0 CBADLP C[C@H]([NH2+]CCNC(=O)c1cc2c[nH+]ccc2[nH]1)C(N)=O ZINC001130266103 813922647 /nfs/dbraw/zinc/92/26/47/813922647.db2.gz LOLVBMFMMFMBOX-QMMMGPOBSA-N 2 2 275.312 -0.244 20 0 CBADLP C[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1cnon1 ZINC001130300185 813924164 /nfs/dbraw/zinc/92/41/64/813924164.db2.gz KBDHUHHVIZXGTQ-NSHDSACASA-N 2 2 267.333 -0.240 20 0 CBADLP C[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1cnon1 ZINC001130300185 813924170 /nfs/dbraw/zinc/92/41/70/813924170.db2.gz KBDHUHHVIZXGTQ-NSHDSACASA-N 2 2 267.333 -0.240 20 0 CBADLP COC[C@@H](O)C[NH2+]CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001130404400 813936241 /nfs/dbraw/zinc/93/62/41/813936241.db2.gz JKPPZJBIIYRKLC-YPMHNXCESA-N 2 2 296.371 -0.841 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001130478260 813944009 /nfs/dbraw/zinc/94/40/09/813944009.db2.gz WUHIETMZDRJDLW-WDEREUQCSA-N 2 2 293.371 -0.714 20 0 CBADLP O=C(NCC[NH2+]CCCO)[C@@H]1CCc2[nH+]ccn2C1 ZINC001130481478 813944039 /nfs/dbraw/zinc/94/40/39/813944039.db2.gz UKYMFMNQLZWCSQ-LLVKDONJSA-N 2 2 266.345 -0.466 20 0 CBADLP O=C(NCC[NH2+][C@H]1CCNC1=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001130477582 813944442 /nfs/dbraw/zinc/94/44/42/813944442.db2.gz HCABSMFZEFJMHA-QWRGUYRKSA-N 2 2 291.355 -0.960 20 0 CBADLP O=C(NCC[NH2+]CCO)[C@@H]1CCc2c[nH+]cn2C1 ZINC001130488592 813945593 /nfs/dbraw/zinc/94/55/93/813945593.db2.gz RZSFSRQRLOMQQQ-SNVBAGLBSA-N 2 2 252.318 -0.856 20 0 CBADLP C[C@H]([NH2+]CCNC(=O)[C@H]1CCc2c[nH+]cn2C1)C(N)=O ZINC001130488756 813945609 /nfs/dbraw/zinc/94/56/09/813945609.db2.gz VXOZGTYMGWNPMU-UWVGGRQHSA-N 2 2 279.344 -0.975 20 0 CBADLP O=C(NCC[NH2+]CCCO)[C@H]1CCc2c[nH+]cn2C1 ZINC001130488784 813945674 /nfs/dbraw/zinc/94/56/74/813945674.db2.gz WHEZBQASLKFKRB-NSHDSACASA-N 2 2 266.345 -0.466 20 0 CBADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC[NH2+][C@@H](C)C(N)=O)C2 ZINC001130491272 813946464 /nfs/dbraw/zinc/94/64/64/813946464.db2.gz OWSZUCGNQYRVMB-WCBMZHEXSA-N 2 2 293.371 -0.597 20 0 CBADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)NCC[NH2+][C@@H](C)C(N)=O)CC2 ZINC001130491272 813946470 /nfs/dbraw/zinc/94/64/70/813946470.db2.gz OWSZUCGNQYRVMB-WCBMZHEXSA-N 2 2 293.371 -0.597 20 0 CBADLP CC[C@@H]([NH2+]CCNC(=O)c1cc(C[NH+](C)C)on1)C(N)=O ZINC001130647974 813958935 /nfs/dbraw/zinc/95/89/35/813958935.db2.gz GICHLMMKVYPIIM-SNVBAGLBSA-N 2 2 297.359 -0.681 20 0 CBADLP C[C@H]([NH2+]CCNC(=O)CCc1[nH+]ccn1C)C(=O)N(C)C ZINC001131656551 814051262 /nfs/dbraw/zinc/05/12/62/814051262.db2.gz RWYALDGYZLLPNV-NSHDSACASA-N 2 2 295.387 -0.465 20 0 CBADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NCC[NH2+]CCO ZINC001131822876 814070982 /nfs/dbraw/zinc/07/09/82/814070982.db2.gz WSCZMBRATUPQBT-LBPRGKRZSA-N 2 2 273.377 -0.815 20 0 CBADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NCC[NH2+]CCO ZINC001131822876 814070991 /nfs/dbraw/zinc/07/09/91/814070991.db2.gz WSCZMBRATUPQBT-LBPRGKRZSA-N 2 2 273.377 -0.815 20 0 CBADLP NC(=O)C[NH2+]CCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001131976318 814091953 /nfs/dbraw/zinc/09/19/53/814091953.db2.gz LOEAQKFNHSWAIZ-UHFFFAOYSA-N 2 2 287.323 -0.323 20 0 CBADLP O=C(CCn1cc[nH+]c1)NCC[NH2+]CC(=O)NC1CC1 ZINC001132079582 814100540 /nfs/dbraw/zinc/10/05/40/814100540.db2.gz CDOIGQCLFJFWCU-UHFFFAOYSA-N 2 2 279.344 -0.742 20 0 CBADLP C[C@@H]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C[N@@H+]1CC(N)=O ZINC001132107154 814101493 /nfs/dbraw/zinc/10/14/93/814101493.db2.gz YCWPJGKCZKUWRO-NEPJUHHUSA-N 2 2 296.415 -0.075 20 0 CBADLP C[C@@H]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C[N@H+]1CC(N)=O ZINC001132107154 814101501 /nfs/dbraw/zinc/10/15/01/814101501.db2.gz YCWPJGKCZKUWRO-NEPJUHHUSA-N 2 2 296.415 -0.075 20 0 CBADLP C[C@@H]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)C[NH+]1CC(N)=O ZINC001132107154 814101506 /nfs/dbraw/zinc/10/15/06/814101506.db2.gz YCWPJGKCZKUWRO-NEPJUHHUSA-N 2 2 296.415 -0.075 20 0 CBADLP C[C@@H]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)C[NH+]1CC(N)=O ZINC001132107154 814101513 /nfs/dbraw/zinc/10/15/13/814101513.db2.gz YCWPJGKCZKUWRO-NEPJUHHUSA-N 2 2 296.415 -0.075 20 0 CBADLP C[C@H]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C[N@@H+]1CC(N)=O ZINC001132107157 814102539 /nfs/dbraw/zinc/10/25/39/814102539.db2.gz YCWPJGKCZKUWRO-RYUDHWBXSA-N 2 2 296.415 -0.075 20 0 CBADLP C[C@H]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C[N@H+]1CC(N)=O ZINC001132107157 814102546 /nfs/dbraw/zinc/10/25/46/814102546.db2.gz YCWPJGKCZKUWRO-RYUDHWBXSA-N 2 2 296.415 -0.075 20 0 CBADLP C[C@H]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)C[NH+]1CC(N)=O ZINC001132107157 814102549 /nfs/dbraw/zinc/10/25/49/814102549.db2.gz YCWPJGKCZKUWRO-RYUDHWBXSA-N 2 2 296.415 -0.075 20 0 CBADLP C[C@H]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)C[NH+]1CC(N)=O ZINC001132107157 814102555 /nfs/dbraw/zinc/10/25/55/814102555.db2.gz YCWPJGKCZKUWRO-RYUDHWBXSA-N 2 2 296.415 -0.075 20 0 CBADLP CC[NH+](CC)CC(=O)N[C@H]1CC[C@H](C)[N@H+](CC(N)=O)C1 ZINC001132375519 814140144 /nfs/dbraw/zinc/14/01/44/814140144.db2.gz DRQOXDLARQMSMK-RYUDHWBXSA-N 2 2 284.404 -0.217 20 0 CBADLP CC[NH+](CC)CC(=O)N[C@H]1CC[C@H](C)[N@@H+](CC(N)=O)C1 ZINC001132375519 814140151 /nfs/dbraw/zinc/14/01/51/814140151.db2.gz DRQOXDLARQMSMK-RYUDHWBXSA-N 2 2 284.404 -0.217 20 0 CBADLP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@H](C)[NH+](CC(N)=O)C1 ZINC001132441904 814151006 /nfs/dbraw/zinc/15/10/06/814151006.db2.gz VCGXBSJJRZSRRC-NWDGAFQWSA-N 2 2 284.404 -0.217 20 0 CBADLP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[C@H](C)[NH+](CC(N)=O)C1 ZINC001132441904 814151010 /nfs/dbraw/zinc/15/10/10/814151010.db2.gz VCGXBSJJRZSRRC-NWDGAFQWSA-N 2 2 284.404 -0.217 20 0 CBADLP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC(N)=O)C1 ZINC001132441904 814151015 /nfs/dbraw/zinc/15/10/15/814151015.db2.gz VCGXBSJJRZSRRC-NWDGAFQWSA-N 2 2 284.404 -0.217 20 0 CBADLP CCC[NH+](C)CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC(N)=O)C1 ZINC001132441904 814151021 /nfs/dbraw/zinc/15/10/21/814151021.db2.gz VCGXBSJJRZSRRC-NWDGAFQWSA-N 2 2 284.404 -0.217 20 0 CBADLP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@H](C)[NH+](CC(N)=O)C1 ZINC001132441905 814152032 /nfs/dbraw/zinc/15/20/32/814152032.db2.gz VCGXBSJJRZSRRC-RYUDHWBXSA-N 2 2 284.404 -0.217 20 0 CBADLP CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@H](C)[NH+](CC(N)=O)C1 ZINC001132441905 814152034 /nfs/dbraw/zinc/15/20/34/814152034.db2.gz VCGXBSJJRZSRRC-RYUDHWBXSA-N 2 2 284.404 -0.217 20 0 CBADLP CCC[NH+](C)CC(=O)N[C@H]1CC[C@H](C)[N@H+](CC(N)=O)C1 ZINC001132441905 814152035 /nfs/dbraw/zinc/15/20/35/814152035.db2.gz VCGXBSJJRZSRRC-RYUDHWBXSA-N 2 2 284.404 -0.217 20 0 CBADLP CCC[NH+](C)CC(=O)N[C@H]1CC[C@H](C)[N@@H+](CC(N)=O)C1 ZINC001132441905 814152037 /nfs/dbraw/zinc/15/20/37/814152037.db2.gz VCGXBSJJRZSRRC-RYUDHWBXSA-N 2 2 284.404 -0.217 20 0 CBADLP C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+]CC(N)=O ZINC001133135657 814220071 /nfs/dbraw/zinc/22/00/71/814220071.db2.gz VFLSUWSABRSVIG-GHMZBOCLSA-N 2 2 293.371 -0.488 20 0 CBADLP C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C[NH2+]CC(N)=O ZINC001133135658 814220248 /nfs/dbraw/zinc/22/02/48/814220248.db2.gz VFLSUWSABRSVIG-MNOVXSKESA-N 2 2 293.371 -0.488 20 0 CBADLP C[C@@H]([NH2+]CCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21)C(N)=O ZINC001133664630 814282916 /nfs/dbraw/zinc/28/29/16/814282916.db2.gz VUKIDPCZCXVWKI-BDAKNGLRSA-N 2 2 279.344 -0.591 20 0 CBADLP CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001133663117 814284603 /nfs/dbraw/zinc/28/46/03/814284603.db2.gz CEFVCALIWNSKIM-SNVBAGLBSA-N 2 2 293.371 -0.329 20 0 CBADLP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]Cc1csnn1 ZINC001133869196 814314017 /nfs/dbraw/zinc/31/40/17/814314017.db2.gz CEFTYYAYZSWVKL-GXSJLCMTSA-N 2 2 283.401 -0.058 20 0 CBADLP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]Cc1csnn1 ZINC001133869196 814314028 /nfs/dbraw/zinc/31/40/28/814314028.db2.gz CEFTYYAYZSWVKL-GXSJLCMTSA-N 2 2 283.401 -0.058 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]Cc1ncccn1 ZINC001133869688 814314100 /nfs/dbraw/zinc/31/41/00/814314100.db2.gz JMJOKJZLGXFTTL-NEPJUHHUSA-N 2 2 277.372 -0.120 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]Cc1ncccn1 ZINC001133869688 814314110 /nfs/dbraw/zinc/31/41/10/814314110.db2.gz JMJOKJZLGXFTTL-NEPJUHHUSA-N 2 2 277.372 -0.120 20 0 CBADLP CNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001134227535 814363855 /nfs/dbraw/zinc/36/38/55/814363855.db2.gz IILOZBNGXOZYRT-WDEREUQCSA-N 2 2 295.387 -0.039 20 0 CBADLP C[C@H](C[C@H](C)[NH2+]CC(N)=O)NC(=O)CCc1[nH]cc[nH+]1 ZINC001134227407 814364258 /nfs/dbraw/zinc/36/42/58/814364258.db2.gz GPRWZMHXFAMKCL-VHSXEESVSA-N 2 2 281.360 -0.300 20 0 CBADLP CN(CC1CC1)C(=O)C[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001134393693 814379312 /nfs/dbraw/zinc/37/93/12/814379312.db2.gz RUMIESFLRCFSPS-UHFFFAOYSA-N 2 2 293.371 -0.474 20 0 CBADLP CCN1CC[C@@H]([NH2+]CCNC(=O)Cc2c[nH]c[nH+]2)C1=O ZINC001134396666 814379915 /nfs/dbraw/zinc/37/99/15/814379915.db2.gz CHSHQSLEMLHFIK-LLVKDONJSA-N 2 2 279.344 -0.721 20 0 CBADLP Cn1cc(CC[NH2+]CCNC(=O)Cc2c[nH]c[nH+]2)cn1 ZINC001134394296 814381012 /nfs/dbraw/zinc/38/10/12/814381012.db2.gz YCBYNULOHSSYLD-UHFFFAOYSA-N 2 2 276.344 -0.366 20 0 CBADLP C[C@@H](CC(=O)NCC[NH2+]CC(=O)N1CCC1)n1cc[nH+]c1 ZINC001134494755 814388132 /nfs/dbraw/zinc/38/81/32/814388132.db2.gz GVLFVWMQZFKDES-LBPRGKRZSA-N 2 2 293.371 -0.228 20 0 CBADLP C[C@H](CC(=O)NCC[NH2+][C@@H](C)C(N)=O)n1cc[nH+]c1 ZINC001134499164 814389334 /nfs/dbraw/zinc/38/93/34/814389334.db2.gz XNTXGAWHWKGRNG-ZJUUUORDSA-N 2 2 267.333 -0.586 20 0 CBADLP C[C@@H](CC(=O)NCC[NH2+]CCn1cncn1)n1cc[nH+]c1 ZINC001134517266 814391318 /nfs/dbraw/zinc/39/13/18/814391318.db2.gz AZNMJVYVNSHXHY-LBPRGKRZSA-N 2 2 291.359 -0.168 20 0 CBADLP CC[C@H]([NH2+]CCNC(=O)C[C@H](C)n1cc[nH+]c1)C(N)=O ZINC001134517681 814391472 /nfs/dbraw/zinc/39/14/72/814391472.db2.gz ORKGIGQGIWIOFZ-QWRGUYRKSA-N 2 2 281.360 -0.196 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+][C@@H]1CCCNC1=O ZINC001135080064 814435080 /nfs/dbraw/zinc/43/50/80/814435080.db2.gz KGXPJYRFLWUDTO-ZYHUDNBSSA-N 2 2 293.371 -0.427 20 0 CBADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[NH2+][C@@H]1CCCNC1=O ZINC001135080064 814435084 /nfs/dbraw/zinc/43/50/84/814435084.db2.gz KGXPJYRFLWUDTO-ZYHUDNBSSA-N 2 2 293.371 -0.427 20 0 CBADLP Cc1nnc(C[NH2+]CCNC(=O)CC[NH+]2CCOCC2)[nH]1 ZINC001135352580 814467885 /nfs/dbraw/zinc/46/78/85/814467885.db2.gz IWIJFXHVFGCYLF-UHFFFAOYSA-N 2 2 296.375 -0.959 20 0 CBADLP O=C(CC[NH+]1CCOCC1)NCC[NH2+]Cc1nncs1 ZINC001135352530 814468508 /nfs/dbraw/zinc/46/85/08/814468508.db2.gz GCAGZKDCVMEMPZ-UHFFFAOYSA-N 2 2 299.400 -0.534 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NCC[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001135758117 814518858 /nfs/dbraw/zinc/51/88/58/814518858.db2.gz YVYGXPSXPOMDDZ-LLVKDONJSA-N 2 2 293.371 -0.426 20 0 CBADLP CCCNC(=O)C[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001135755987 814519641 /nfs/dbraw/zinc/51/96/41/814519641.db2.gz VIFFOAOQEKLEJX-UHFFFAOYSA-N 2 2 267.333 -0.816 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NCC[NH2+]C[C@H](O)CC(F)(F)F ZINC001135757847 814519654 /nfs/dbraw/zinc/51/96/54/814519654.db2.gz RWWIHCJJEPAPAG-MRVPVSSYSA-N 2 2 294.277 -0.029 20 0 CBADLP CCn1nnc(C)c1C[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001135754968 814519877 /nfs/dbraw/zinc/51/98/77/814519877.db2.gz JWGXUADZEGAYMG-UHFFFAOYSA-N 2 2 291.359 -0.222 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NCC[NH2+]CCn1cccn1 ZINC001135757483 814520235 /nfs/dbraw/zinc/52/02/35/814520235.db2.gz DJTDEDNAPSZWCZ-UHFFFAOYSA-N 2 2 262.317 -0.445 20 0 CBADLP CCCNC(=O)[C@H](C)[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001135766299 814520963 /nfs/dbraw/zinc/52/09/63/814520963.db2.gz OOIOLUMTWKLLBJ-JTQLQIEISA-N 2 2 281.360 -0.427 20 0 CBADLP CC(C)N(C)C(=O)[C@H](C)[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001135760086 814521079 /nfs/dbraw/zinc/52/10/79/814521079.db2.gz ILBNCSFYVXGKDV-NSHDSACASA-N 2 2 295.387 -0.087 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NCC[NH2+]CCCN1CCCC1=O ZINC001135766142 814522392 /nfs/dbraw/zinc/52/23/92/814522392.db2.gz JSBVOERLCFGGTO-UHFFFAOYSA-N 2 2 293.371 -0.330 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2C[C@@H](OCC3CC3)[C@H]3COC[C@H]32)C1 ZINC001160404212 815617954 /nfs/dbraw/zinc/61/79/54/815617954.db2.gz KUNMSGMAMGEDOA-MBJXGIAVSA-N 2 2 295.383 -0.672 20 0 CBADLP CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001135799247 814529575 /nfs/dbraw/zinc/52/95/75/814529575.db2.gz UJYLBWRSZDFFLR-GHMZBOCLSA-N 2 2 295.387 -0.039 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(N)=O ZINC001136031137 814547513 /nfs/dbraw/zinc/54/75/13/814547513.db2.gz GGIIVWFMCUBNKM-RKDXNWHRSA-N 2 2 281.360 -0.381 20 0 CBADLP COC[C@@]12CCCO[C@H]1CCN(C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])C2 ZINC001159635573 815582866 /nfs/dbraw/zinc/58/28/66/815582866.db2.gz PBYXEIAVJIKYTO-ABHRYQDASA-N 2 2 297.399 -0.423 20 0 CBADLP OC[C@H]1C[NH2+]C[C@@H]1Nc1cc(N2CCOCC2)[nH+]cn1 ZINC001159671154 815583572 /nfs/dbraw/zinc/58/35/72/815583572.db2.gz IGBXWASXMQJVML-MNOVXSKESA-N 2 2 279.344 -0.695 20 0 CBADLP C[NH+]1CC(C(=O)NCC2([NH+]3CCCC3)COC2)C1 ZINC001142600524 814722331 /nfs/dbraw/zinc/72/23/31/814722331.db2.gz ZHNIHKFYCUUEMC-UHFFFAOYSA-N 2 2 253.346 -0.471 20 0 CBADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)C1C[NH+](C)C1 ZINC001142600811 814722689 /nfs/dbraw/zinc/72/26/89/814722689.db2.gz LVSIRCLIVYYLAP-NSHDSACASA-N 2 2 280.328 -0.818 20 0 CBADLP CN1CC[NH+](CCC(=O)N2CC3(C2)C[NH+](C)C3)CC1 ZINC001143230893 814764954 /nfs/dbraw/zinc/76/49/54/814764954.db2.gz GYKOQSUZHZXWRL-UHFFFAOYSA-N 2 2 266.389 -0.602 20 0 CBADLP C[NH+]1CC2(CN(C(=O)CCN3CC[NH+](C)CC3)C2)C1 ZINC001143230893 814764958 /nfs/dbraw/zinc/76/49/58/814764958.db2.gz GYKOQSUZHZXWRL-UHFFFAOYSA-N 2 2 266.389 -0.602 20 0 CBADLP COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001143311366 814769333 /nfs/dbraw/zinc/76/93/33/814769333.db2.gz KCTSNCTUKZNECG-LBPRGKRZSA-N 2 2 283.372 -0.356 20 0 CBADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001143311366 814769334 /nfs/dbraw/zinc/76/93/34/814769334.db2.gz KCTSNCTUKZNECG-LBPRGKRZSA-N 2 2 283.372 -0.356 20 0 CBADLP CN(CC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)C(N)=[NH2+] ZINC001144137364 814773376 /nfs/dbraw/zinc/77/33/76/814773376.db2.gz SBFKUHXRBDSYQP-UHFFFAOYSA-N 2 2 264.333 -0.059 20 0 CBADLP CN(CC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)C(N)=[NH2+] ZINC001144137364 814773377 /nfs/dbraw/zinc/77/33/77/814773377.db2.gz SBFKUHXRBDSYQP-UHFFFAOYSA-N 2 2 264.333 -0.059 20 0 CBADLP CN(CC(=O)N1CCC(n2cc[nH+]c2)CC1)C(N)=[NH2+] ZINC001144132082 814773414 /nfs/dbraw/zinc/77/34/14/814773414.db2.gz DGFPWWWBTWCSQS-UHFFFAOYSA-N 2 2 264.333 -0.128 20 0 CBADLP CC[N@H+](C)CCC(=O)NCC[NH2+]Cc1nc(C)no1 ZINC001146719943 814845609 /nfs/dbraw/zinc/84/56/09/814845609.db2.gz XSLBWWXIKYIHNT-UHFFFAOYSA-N 2 2 269.349 -0.074 20 0 CBADLP CC[N@@H+](C)CCC(=O)NCC[NH2+]Cc1nc(C)no1 ZINC001146719943 814845615 /nfs/dbraw/zinc/84/56/15/814845615.db2.gz XSLBWWXIKYIHNT-UHFFFAOYSA-N 2 2 269.349 -0.074 20 0 CBADLP C[C@H](O)C[NH2+]CCNC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001147614448 814903716 /nfs/dbraw/zinc/90/37/16/814903716.db2.gz CRTVDRAUILUZNF-NSHDSACASA-N 2 2 289.339 -0.033 20 0 CBADLP Cc1nn(C)cc1C[NH2+]CCNC(=O)Cc1c[nH+]cn1C ZINC001147871920 814920997 /nfs/dbraw/zinc/92/09/97/814920997.db2.gz RXUXQGCUYQRVRW-UHFFFAOYSA-N 2 2 290.371 -0.089 20 0 CBADLP [NH3+]CC[C@H]([NH3+])C(=O)N1CC2CC1(C(=O)N1CCCC1)C2 ZINC001159688168 815589380 /nfs/dbraw/zinc/58/93/80/815589380.db2.gz NBOJVFAMVDGUOX-CVZZAPKMSA-N 2 2 280.372 -0.724 20 0 CBADLP Cc1cc(CN(C)C(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)n(C)n1 ZINC001160475987 815626039 /nfs/dbraw/zinc/62/60/39/815626039.db2.gz XVWZIPMCXZDMBN-ZDUSSCGKSA-N 2 2 290.371 -0.010 20 0 CBADLP N[C@@H](C[NH3+])C(=O)N1CC[NH+](CCc2ccccn2)CC1 ZINC001160482256 815627651 /nfs/dbraw/zinc/62/76/51/815627651.db2.gz CGPXCNGJIUVHBU-ZDUSSCGKSA-N 2 2 277.372 -0.946 20 0 CBADLP CCn1nnc2c1[C@@H](C(=O)N1CCC([NH3+])CC1)C[NH2+]C2 ZINC001160504746 815631205 /nfs/dbraw/zinc/63/12/05/815631205.db2.gz PCHHOZWSIUKJQS-JTQLQIEISA-N 2 2 278.360 -0.566 20 0 CBADLP [NH3+]C[C@]1(Nc2ncc3c(n2)C[NH2+]C3)C[NH+]2CCC1CC2 ZINC001160513125 815633360 /nfs/dbraw/zinc/63/33/60/815633360.db2.gz KJKFEIPUCLKZQX-AWEZNQCLSA-N 3 2 274.372 -0.085 20 0 CBADLP N=c1nc([C@@H]2CCC[NH2+]2)ccn1C(=O)[C@@H]1COCC[NH2+]1 ZINC001160539406 815634473 /nfs/dbraw/zinc/63/44/73/815634473.db2.gz SEYLRQSJMUIBNW-ONGXEEELSA-N 2 2 277.328 -0.584 20 0 CBADLP O=C(N1CCCC12COC2)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160541398 815635284 /nfs/dbraw/zinc/63/52/84/815635284.db2.gz BAWKEFWQMPSQBR-GWCFXTLKSA-N 2 2 251.330 -0.671 20 0 CBADLP O=C(N1CCCC12COC2)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160541402 815635736 /nfs/dbraw/zinc/63/57/36/815635736.db2.gz BAWKEFWQMPSQBR-ZWNOBZJWSA-N 2 2 251.330 -0.671 20 0 CBADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCC12COC2 ZINC001160541784 815635790 /nfs/dbraw/zinc/63/57/90/815635790.db2.gz HYGZXBZTYRARDZ-JTQLQIEISA-N 2 2 250.302 -0.329 20 0 CBADLP Cn1cc2c(n1)CCN(C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)C2 ZINC001160556026 815637685 /nfs/dbraw/zinc/63/76/85/815637685.db2.gz JUYRVTBSQFPPOR-NSHDSACASA-N 2 2 274.328 -0.402 20 0 CBADLP Cc1cc2n(n1)c(=O)cc(C)n2C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001160564410 815638852 /nfs/dbraw/zinc/63/88/52/815638852.db2.gz GTMYVRUOOWYGGO-UWVGGRQHSA-N 2 2 275.312 -0.700 20 0 CBADLP [NH3+]C1(C(=O)N2CCC3(CCC(=O)O3)CC2)CC[NH2+]CC1 ZINC001160578068 815640082 /nfs/dbraw/zinc/64/00/82/815640082.db2.gz SRJKWKMXKQTPPZ-UHFFFAOYSA-N 2 2 281.356 -0.235 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCC3(CCC(=O)O3)CC2)C1 ZINC001160577556 815640390 /nfs/dbraw/zinc/64/03/90/815640390.db2.gz MQRRLXQOTWPVHN-ZJUUUORDSA-N 2 2 267.329 -0.626 20 0 CBADLP [NH3+]C1(C(=O)N2CCC[C@@H](n3cncn3)C2)CC[NH2+]CC1 ZINC001160637371 815647423 /nfs/dbraw/zinc/64/74/23/815647423.db2.gz MLMQTXLMXKJLRP-LLVKDONJSA-N 2 2 278.360 -0.478 20 0 CBADLP COC(=O)[C@]1(C)CCCN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)C1 ZINC001160636650 815648059 /nfs/dbraw/zinc/64/80/59/815648059.db2.gz QDMMYRXSVXBVJS-UUIJZJDISA-N 2 2 295.383 -0.262 20 0 CBADLP C[C@@H]1C[C@H](O)CCN1C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001160654898 815653460 /nfs/dbraw/zinc/65/34/60/815653460.db2.gz FNXOGKDXNMOVMO-CSYMLDBXSA-N 2 2 253.346 -0.692 20 0 CBADLP CN(C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C)C1(C)COC1 ZINC001160663787 815654644 /nfs/dbraw/zinc/65/46/44/815654644.db2.gz VGKGCQQXGJVBHX-JTQLQIEISA-N 2 2 252.318 -0.463 20 0 CBADLP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001160688734 815657011 /nfs/dbraw/zinc/65/70/11/815657011.db2.gz GBDHVFBNAYITOV-VXGBXAGGSA-N 3 2 289.383 -0.075 20 0 CBADLP CN(CCC1OCCO1)C(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160683934 815657346 /nfs/dbraw/zinc/65/73/46/815657346.db2.gz OUUIYCBSOBUGTO-GXFFZTMASA-N 2 2 269.345 -0.841 20 0 CBADLP O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001160693419 815659131 /nfs/dbraw/zinc/65/91/31/815659131.db2.gz MIXWHNNRCIZYCW-GMTAPVOTSA-N 2 2 264.329 -0.162 20 0 CBADLP N[C@@]1(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC[NH2+]C1 ZINC001160694178 815659281 /nfs/dbraw/zinc/65/92/81/815659281.db2.gz RWZIUMQRJMZCNP-MFKMUULPSA-N 2 2 263.345 -0.194 20 0 CBADLP CN(C[C@@H]1CCC[NH2+]C1)C(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160695648 815659289 /nfs/dbraw/zinc/65/92/89/815659289.db2.gz NYPKHXPUUVMDOR-BZPMIXESSA-N 3 2 266.389 -0.604 20 0 CBADLP CCN(CCn1cccn1)C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001160692522 815659407 /nfs/dbraw/zinc/65/94/07/815659407.db2.gz ARSVCJZGIPYCSH-QWRGUYRKSA-N 2 2 251.334 -0.722 20 0 CBADLP O=C([C@@H]1C[NH2+]C[C@@H]1O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001160692827 815659421 /nfs/dbraw/zinc/65/94/21/815659421.db2.gz FDSWXGHKJSDKKH-MXWKQRLJSA-N 2 2 264.329 -0.304 20 0 CBADLP CN(C[C@@H]1CCC[NH2+]C1)C(=O)[C@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001160698662 815660381 /nfs/dbraw/zinc/66/03/81/815660381.db2.gz OHYPEDMBOBOSIE-TZMCWYRMSA-N 3 2 297.447 -0.805 20 0 CBADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(n2cnnc2)CC1 ZINC001160718905 815663377 /nfs/dbraw/zinc/66/33/77/815663377.db2.gz XEINTBZKWUYHSO-LBPRGKRZSA-N 2 2 289.343 -0.265 20 0 CBADLP N[C@]1(C(=O)N2CCC(n3cc[nH+]c3)CC2)CC[NH2+]C1 ZINC001160725865 815665545 /nfs/dbraw/zinc/66/55/45/815665545.db2.gz GHSSLCOIIRBFGV-CYBMUJFWSA-N 2 2 263.345 -0.263 20 0 CBADLP O=C([C@H]1C[NH2+]C[C@H]1O)N1CCC(n2cc[nH+]c2)CC1 ZINC001160726225 815665649 /nfs/dbraw/zinc/66/56/49/815665649.db2.gz MKEQSBPSLGOEGF-NWDGAFQWSA-N 2 2 264.329 -0.373 20 0 CBADLP C[C@@H]1CO[C@@H]2CN(C(=O)[C@H]([NH3+])Cc3c[nH+]c[nH]3)C[C@H]12 ZINC001160756145 815667293 /nfs/dbraw/zinc/66/72/93/815667293.db2.gz HYLDBUBSADIUJQ-HJQYOEGKSA-N 2 2 264.329 -0.227 20 0 CBADLP CCN(CC(C)(C)O)C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001160755707 815667323 /nfs/dbraw/zinc/66/73/23/815667323.db2.gz POXYYXXXVDJCPJ-GARJFASQSA-N 2 2 255.362 -0.444 20 0 CBADLP CCN(CC(C)(C)O)C(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160755392 815667376 /nfs/dbraw/zinc/66/73/76/815667376.db2.gz HIKKMASLCIATIS-ZWNOBZJWSA-N 2 2 255.362 -0.443 20 0 CBADLP CCOC(=O)c1coc2c1CN(C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)C2 ZINC001160761591 815668827 /nfs/dbraw/zinc/66/88/27/815668827.db2.gz JLQHFTKNAJVZKT-KCJUWKMLSA-N 2 2 293.323 -0.012 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCC3(C[C@H](F)CO3)CC2)C1 ZINC001160786364 815671473 /nfs/dbraw/zinc/67/14/73/815671473.db2.gz CJLCKJKQGHSVML-AXFHLTTASA-N 2 2 271.336 -0.205 20 0 CBADLP COc1cc[nH+]cc1CC(=O)NCCC[NH2+][C@H](C)C(N)=O ZINC001160838177 815675833 /nfs/dbraw/zinc/67/58/33/815675833.db2.gz HKFKMTKWTQKEBY-SNVBAGLBSA-N 2 2 294.355 -0.398 20 0 CBADLP COC(=O)C[C@@H]1CCCN(C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])C1 ZINC001160833581 815675877 /nfs/dbraw/zinc/67/58/77/815675877.db2.gz REWPLPUOOSMQCZ-DCAQKATOSA-N 2 2 269.345 -0.665 20 0 CBADLP CNC(=O)C[NH2+]CCCNC(=O)Cc1c[nH+]ccc1OC ZINC001160837365 815675904 /nfs/dbraw/zinc/67/59/04/815675904.db2.gz AJMWMCRJPUXNTF-UHFFFAOYSA-N 2 2 294.355 -0.525 20 0 CBADLP COC(=O)C[C@@H]1CCCN(C(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)C1 ZINC001160834138 815676099 /nfs/dbraw/zinc/67/60/99/815676099.db2.gz YGOURZYGTWODQA-YWPYICTPSA-N 2 2 295.383 -0.260 20 0 CBADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CCC(n2cccn2)CC1 ZINC001160846734 815677989 /nfs/dbraw/zinc/67/79/89/815677989.db2.gz XCYPNFMKTSXYEI-FPMFFAJLSA-N 2 2 289.383 -0.004 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CCC(Oc2cnccn2)CC1 ZINC001160889841 815684895 /nfs/dbraw/zinc/68/48/95/815684895.db2.gz DUWVCJBTJWVXTN-RYUDHWBXSA-N 2 2 291.355 -0.607 20 0 CBADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H]([NH3+])CC(F)(F)C1 ZINC001160967018 815691231 /nfs/dbraw/zinc/69/12/31/815691231.db2.gz IJMCDPJEEFLYFT-VXNVDRBHSA-N 3 2 273.287 -0.526 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1C[C@@H]([NH3+])CC(F)(F)C1 ZINC001160967228 815691510 /nfs/dbraw/zinc/69/15/10/815691510.db2.gz LNVXHRBSUHCCHJ-WPRPVWTQSA-N 3 2 287.314 -0.515 20 0 CBADLP C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)[C@@]13CC[C@@H]([NH2+]1)[C@H]([NH3+])C3)C2 ZINC001160965240 815691715 /nfs/dbraw/zinc/69/17/15/815691715.db2.gz UXZOQQVTLMKMSY-FWZIUSJTSA-N 3 2 278.400 -0.382 20 0 CBADLP [NH3+][C@@H]1CN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)CC(F)(F)C1 ZINC001160969257 815693127 /nfs/dbraw/zinc/69/31/27/815693127.db2.gz ZAWKSZUSMJMGRM-AATLWQCWSA-N 3 2 274.315 -0.869 20 0 CBADLP CC(=O)[C@@H]1CCN(C(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)C1 ZINC001161034514 815702007 /nfs/dbraw/zinc/70/20/07/815702007.db2.gz KZAGWALJRCLOOU-NQBHXWOUSA-N 2 2 251.330 -0.625 20 0 CBADLP CC(C)[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]([NH3+])Cc2nn[nH]n2)C1 ZINC001161049240 815704052 /nfs/dbraw/zinc/70/40/52/815704052.db2.gz DNFWEVOSZWSNLV-ZJUUUORDSA-N 2 2 281.364 -0.989 20 0 CBADLP CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]([NH3+])Cc2nn[nH]n2)C1 ZINC001161049240 815704056 /nfs/dbraw/zinc/70/40/56/815704056.db2.gz DNFWEVOSZWSNLV-ZJUUUORDSA-N 2 2 281.364 -0.989 20 0 CBADLP CC(C)[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)C1 ZINC001161051126 815705716 /nfs/dbraw/zinc/70/57/16/815705716.db2.gz SQPUROZGSOWXGK-UTUOFQBUSA-N 3 2 254.378 -0.383 20 0 CBADLP CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)C1 ZINC001161051126 815705720 /nfs/dbraw/zinc/70/57/20/815705720.db2.gz SQPUROZGSOWXGK-UTUOFQBUSA-N 3 2 254.378 -0.383 20 0 CBADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]([NH3+])Cc3c[nH]cn3)C[C@H]21 ZINC001161081350 815709561 /nfs/dbraw/zinc/70/95/61/815709561.db2.gz ITJSUPIDGDNUIN-KGYLQXTDSA-N 2 2 277.372 -0.168 20 0 CBADLP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H]([NH3+])Cc3c[nH]cn3)C[C@H]21 ZINC001161081350 815709565 /nfs/dbraw/zinc/70/95/65/815709565.db2.gz ITJSUPIDGDNUIN-KGYLQXTDSA-N 2 2 277.372 -0.168 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1C[C@H]2[C@H](C1)CCC[N@@H+]2C ZINC001161084012 815711857 /nfs/dbraw/zinc/71/18/57/815711857.db2.gz VYGYDYSEVUABPP-UBHSHLNASA-N 3 2 291.399 -0.158 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1C[C@H]2[C@H](C1)CCC[N@H+]2C ZINC001161084012 815711858 /nfs/dbraw/zinc/71/18/58/815711858.db2.gz VYGYDYSEVUABPP-UBHSHLNASA-N 3 2 291.399 -0.158 20 0 CBADLP Nc1ccc(NCCN(CC[NH3+])N(O)N=O)[nH+]c1 ZINC001161087712 815713018 /nfs/dbraw/zinc/71/30/18/815713018.db2.gz PUWPTWCBGSHGDV-UHFFFAOYSA-N 2 2 255.282 -0.376 20 0 CBADLP COC(=O)[C@@H]1CCCN(C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])[C@@H]1C ZINC001161117514 815717006 /nfs/dbraw/zinc/71/70/06/815717006.db2.gz MDLPRDWVRIMUKG-ZNSHCXBVSA-N 2 2 269.345 -0.667 20 0 CBADLP CCN(CCC(=O)OC)C(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001161130270 815717491 /nfs/dbraw/zinc/71/74/91/815717491.db2.gz HDHKWQFVESTJLO-GWCFXTLKSA-N 2 2 269.345 -0.651 20 0 CBADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CCc2[nH]ccc2C1 ZINC001161134617 815718772 /nfs/dbraw/zinc/71/87/72/815718772.db2.gz FVWVCABPLBRVAK-WCFLWFBJSA-N 2 2 260.341 -0.151 20 0 CBADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@@H]([NH3+])CC2CCC2)C1 ZINC001161138612 815719994 /nfs/dbraw/zinc/71/99/94/815719994.db2.gz XCGIVSGLNXGDFT-GWCFXTLKSA-N 2 2 269.345 -0.393 20 0 CBADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@@H]2C[C@@H](C)CC[NH2+]2)C1 ZINC001161138791 815720258 /nfs/dbraw/zinc/72/02/58/815720258.db2.gz ZERWKJWRIAZNET-KWBADKCTSA-N 2 2 269.345 -0.523 20 0 CBADLP CO[C@H](C)C1CN(C(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)C1 ZINC001161147571 815721762 /nfs/dbraw/zinc/72/17/62/815721762.db2.gz XIMQLDZGCYFBGR-SKDRFNHKSA-N 2 2 266.345 -0.217 20 0 CBADLP CN(C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])[C@@H]1CCC2(C1)OCCO2 ZINC001161219632 815728744 /nfs/dbraw/zinc/72/87/44/815728744.db2.gz SCKVWZDRACYKOA-VWYCJHECSA-N 2 2 269.345 -0.713 20 0 CBADLP CN(C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2)[C@H]1CCC2(C1)OCCO2 ZINC001161219014 815728765 /nfs/dbraw/zinc/72/87/65/815728765.db2.gz MHJCMHBLJGVVTA-SFTQSGBHSA-N 2 2 295.383 -0.038 20 0 CBADLP COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC001161237711 815731664 /nfs/dbraw/zinc/73/16/64/815731664.db2.gz NRMSQRWMNGGELD-UTUOFQBUSA-N 2 2 283.372 -0.310 20 0 CBADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC001161237711 815731668 /nfs/dbraw/zinc/73/16/68/815731668.db2.gz NRMSQRWMNGGELD-UTUOFQBUSA-N 2 2 283.372 -0.310 20 0 CBADLP COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)CC1CC[NH2+]CC1 ZINC001161237734 815732283 /nfs/dbraw/zinc/73/22/83/815732283.db2.gz NZVTYQIRDQRXKD-LBPRGKRZSA-N 2 2 283.372 -0.308 20 0 CBADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)CC1CC[NH2+]CC1 ZINC001161237734 815732288 /nfs/dbraw/zinc/73/22/88/815732288.db2.gz NZVTYQIRDQRXKD-LBPRGKRZSA-N 2 2 283.372 -0.308 20 0 CBADLP CC(=O)N[C@@H]1CCCN(C(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)C1 ZINC001161270338 815735819 /nfs/dbraw/zinc/73/58/19/815735819.db2.gz MWDRSYBPCNRGSH-YPMHNXCESA-N 2 2 293.371 -0.583 20 0 CBADLP O=C(NCCC[NH2+]CCCO)[C@@H]1CCn2cc[nH+]c2C1 ZINC001161308729 815738541 /nfs/dbraw/zinc/73/85/41/815738541.db2.gz FDKDIAYEEMULRD-GFCCVEGCSA-N 2 2 280.372 -0.076 20 0 CBADLP C[C@H](O)C[NH2+]CCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001161310300 815739895 /nfs/dbraw/zinc/73/98/95/815739895.db2.gz TURISUDAXYXYAM-NWDGAFQWSA-N 2 2 280.372 -0.078 20 0 CBADLP C[C@@H](O)C[NH2+]CCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001161309692 815740021 /nfs/dbraw/zinc/74/00/21/815740021.db2.gz OTBGPOQRTBDVBB-VXGBXAGGSA-N 2 2 280.372 -0.078 20 0 CBADLP CC(C)N(C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)[C@H]1CC[NH2+]C1 ZINC001161351206 815745353 /nfs/dbraw/zinc/74/53/53/815745353.db2.gz GYHGIADITOYWNP-ZDEQEGDKSA-N 3 2 266.389 -0.465 20 0 CBADLP [NH3+]C1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CC[NH2+]3)C2)CC1 ZINC001161381357 815748542 /nfs/dbraw/zinc/74/85/42/815748542.db2.gz XWEUYMUZGHRRDQ-RYUDHWBXSA-N 3 2 252.362 -0.628 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001161412014 815751951 /nfs/dbraw/zinc/75/19/51/815751951.db2.gz FCMVHQFADSIXLG-SYEHKZFSSA-N 3 2 277.372 -0.514 20 0 CBADLP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]4C[NH2+]C[C@H]4[NH2+]3)C[C@H]12 ZINC001161413252 815752144 /nfs/dbraw/zinc/75/21/44/815752144.db2.gz ODAXUXCSXHHVAB-ZEPSMKPISA-N 3 2 264.373 -0.868 20 0 CBADLP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)C1(F)C[NH2+]C1)CC2 ZINC001161476007 815758915 /nfs/dbraw/zinc/75/89/15/815758915.db2.gz AJLUZXCSQWZCJA-SKDRFNHKSA-N 2 2 285.319 -0.949 20 0 CBADLP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)C1(F)C[NH2+]C1)CC2 ZINC001161476004 815759105 /nfs/dbraw/zinc/75/91/05/815759105.db2.gz AJLUZXCSQWZCJA-BXKDBHETSA-N 2 2 285.319 -0.949 20 0 CBADLP C[C@@]1(C[NH3+])CCCN(C(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)C1 ZINC001161489972 815761616 /nfs/dbraw/zinc/76/16/16/815761616.db2.gz SMZYQDBMRHYWFT-YPMHNXCESA-N 3 2 265.361 -0.133 20 0 CBADLP COC(=O)[C@@H]([NH3+])CCC(=O)N1CC([N@H+](C)[C@H]2CCOC2)C1 ZINC001161497809 815763359 /nfs/dbraw/zinc/76/33/59/815763359.db2.gz FPWKGSRAGRHRBK-JQWIXIFHSA-N 2 2 299.371 -0.802 20 0 CBADLP COC(=O)[C@@H]([NH3+])CCC(=O)N1CC([N@@H+](C)[C@H]2CCOC2)C1 ZINC001161497809 815763364 /nfs/dbraw/zinc/76/33/64/815763364.db2.gz FPWKGSRAGRHRBK-JQWIXIFHSA-N 2 2 299.371 -0.802 20 0 CBADLP Cc1nc2c(o1)CCN(C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])C2 ZINC001161523561 815765875 /nfs/dbraw/zinc/76/58/75/815765875.db2.gz OOZUPRFNGJOVGR-IUCAKERBSA-N 2 2 250.302 -0.586 20 0 CBADLP CC(=O)[C@@H]1CCCN1C(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001161526855 815767714 /nfs/dbraw/zinc/76/77/14/815767714.db2.gz UAPYNJLYHDDJDW-NTZNESFSSA-N 2 2 251.330 -0.482 20 0 CBADLP CCn1nnc2c1[C@@H](C(=O)N1CC[NH2+]C3(CC3)C1)C[NH2+]C2 ZINC001161542957 815769626 /nfs/dbraw/zinc/76/96/26/815769626.db2.gz MCWGFTKGHUKLTR-JTQLQIEISA-N 2 2 290.371 -0.551 20 0 CBADLP COCCOC1CN(C(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)C1 ZINC001161569775 815771551 /nfs/dbraw/zinc/77/15/51/815771551.db2.gz BMSMWLPBDXAOHJ-LLVKDONJSA-N 2 2 268.317 -0.847 20 0 CBADLP COCCOC1CN(C(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)C1 ZINC001161571916 815772833 /nfs/dbraw/zinc/77/28/33/815772833.db2.gz XUWQHORBYFJOKO-LBPRGKRZSA-N 2 2 282.344 -0.836 20 0 CBADLP [NH3+]C1CC[NH+](CCNc2ncnc3c2CC[NH2+]C3)CC1 ZINC001161867429 815790890 /nfs/dbraw/zinc/79/08/90/815790890.db2.gz QOPLMIPOXUJBQB-UHFFFAOYSA-N 3 2 276.388 -0.043 20 0 CBADLP CC[N@@H+]1CC[C@@H]1C(=O)N1C[C@H](C)[NH+](CCO)C[C@@H]1C ZINC001162250453 815810167 /nfs/dbraw/zinc/81/01/67/815810167.db2.gz ZMYGFMBXXQUSDQ-RWMBFGLXSA-N 2 2 269.389 -0.006 20 0 CBADLP CC[N@H+]1CC[C@@H]1C(=O)N1C[C@H](C)[NH+](CCO)C[C@@H]1C ZINC001162250453 815810175 /nfs/dbraw/zinc/81/01/75/815810175.db2.gz ZMYGFMBXXQUSDQ-RWMBFGLXSA-N 2 2 269.389 -0.006 20 0 CBADLP CC[NH+]1CC[C@@H]1C(=O)N1C[C@H](C)[N@H+](CCO)C[C@@H]1C ZINC001162250453 815810180 /nfs/dbraw/zinc/81/01/80/815810180.db2.gz ZMYGFMBXXQUSDQ-RWMBFGLXSA-N 2 2 269.389 -0.006 20 0 CBADLP CC[NH+]1CC[C@@H]1C(=O)N1C[C@H](C)[N@@H+](CCO)C[C@@H]1C ZINC001162250453 815810185 /nfs/dbraw/zinc/81/01/85/815810185.db2.gz ZMYGFMBXXQUSDQ-RWMBFGLXSA-N 2 2 269.389 -0.006 20 0 CBADLP CS(=O)(=O)CCNc1[nH+]cccc1N1CC[NH2+]CC1 ZINC001162318397 815813106 /nfs/dbraw/zinc/81/31/06/815813106.db2.gz CNVHRRXTMSHMSX-UHFFFAOYSA-N 2 2 284.385 -0.052 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NCCC[NH2+]Cc1nnnn1C ZINC001162628501 815836834 /nfs/dbraw/zinc/83/68/34/815836834.db2.gz SYWSLZJTEZLINK-UHFFFAOYSA-N 2 2 292.347 -0.989 20 0 CBADLP C[N@@H+]1CCO[C@H](CNc2ccnc(N3CC[NH2+]CC3)n2)C1 ZINC001162680665 815838646 /nfs/dbraw/zinc/83/86/46/815838646.db2.gz PCSQTCNGCFKVOV-GFCCVEGCSA-N 2 2 292.387 -0.371 20 0 CBADLP C[N@H+]1CCO[C@H](CNc2ccnc(N3CC[NH2+]CC3)n2)C1 ZINC001162680665 815838654 /nfs/dbraw/zinc/83/86/54/815838654.db2.gz PCSQTCNGCFKVOV-GFCCVEGCSA-N 2 2 292.387 -0.371 20 0 CBADLP C[N@@H+]1CCO[C@H](CNc2cnc(O[C@@H]3CC[NH2+]C3)nc2)C1 ZINC001162689111 815841075 /nfs/dbraw/zinc/84/10/75/815841075.db2.gz ZLZVIQYEMDRIQX-CHWSQXEVSA-N 2 2 293.371 -0.040 20 0 CBADLP C[N@H+]1CCO[C@H](CNc2cnc(O[C@@H]3CC[NH2+]C3)nc2)C1 ZINC001162689111 815841083 /nfs/dbraw/zinc/84/10/83/815841083.db2.gz ZLZVIQYEMDRIQX-CHWSQXEVSA-N 2 2 293.371 -0.040 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)NCCC[NH2+]CCOCCO ZINC001163044107 815855411 /nfs/dbraw/zinc/85/54/11/815855411.db2.gz JNVWYMQMWKDZLI-UHFFFAOYSA-N 2 2 298.387 -0.543 20 0 CBADLP C[C@@H]([NH2+]CCCNC(=O)CCc1[nH+]ccn1C)C(N)=O ZINC001163044157 815855737 /nfs/dbraw/zinc/85/57/37/815855737.db2.gz MIGXFAQOJLZYIR-SNVBAGLBSA-N 2 2 281.360 -0.678 20 0 CBADLP O=c1[nH]cc2[nH]c([NH2+]C[C@]34C[NH2+]C[C@H]3COC4)ccc1-2 ZINC001163152497 815863022 /nfs/dbraw/zinc/86/30/22/815863022.db2.gz DSLLMXLGSGHUHL-XPTSAGLGSA-N 2 2 274.324 -0.027 20 0 CBADLP CCOC(=O)[C@@H]([NH3+])Cc1cn(-c2cc(C[NH3+])ncn2)cn1 ZINC001163412508 815885526 /nfs/dbraw/zinc/88/55/26/815885526.db2.gz QCCQBVCECALQIN-NSHDSACASA-N 2 2 290.327 -0.446 20 0 CBADLP CN(CC[NH3+])c1cc(N2CCC[C@@H]2C(N)=O)[nH+]cn1 ZINC001163690068 815896586 /nfs/dbraw/zinc/89/65/86/815896586.db2.gz JYXQNMKCXBQYJS-SECBINFHSA-N 2 2 264.333 -0.674 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)NCCCNC(=O)Cn1cc[nH+]c1 ZINC001293203220 816512711 /nfs/dbraw/zinc/51/27/11/816512711.db2.gz XCVFPQSHGZPMOI-LBPRGKRZSA-N 2 2 293.371 -0.400 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)NCCCNC(=O)Cn1cc[nH+]c1 ZINC001293203220 816512713 /nfs/dbraw/zinc/51/27/13/816512713.db2.gz XCVFPQSHGZPMOI-LBPRGKRZSA-N 2 2 293.371 -0.400 20 0 CBADLP CCn1ncc(C[NH2+]CCC(=O)N2CC[NH+](C)CC2)n1 ZINC001308251588 816822691 /nfs/dbraw/zinc/82/26/91/816822691.db2.gz VVOIFCCFYBWWFX-UHFFFAOYSA-N 2 2 280.376 -0.448 20 0 CBADLP C[N@H+](CCF)CCCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001316818499 816882011 /nfs/dbraw/zinc/88/20/11/816882011.db2.gz BLXPHQRWTDQRHR-LLVKDONJSA-N 2 2 261.341 -0.275 20 0 CBADLP C[N@@H+](CCF)CCCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001316818499 816882015 /nfs/dbraw/zinc/88/20/15/816882015.db2.gz BLXPHQRWTDQRHR-LLVKDONJSA-N 2 2 261.341 -0.275 20 0 CBADLP C[NH+](CCF)CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001316818499 816882024 /nfs/dbraw/zinc/88/20/24/816882024.db2.gz BLXPHQRWTDQRHR-LLVKDONJSA-N 2 2 261.341 -0.275 20 0 CBADLP C[NH+](CCF)CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001316818499 816882031 /nfs/dbraw/zinc/88/20/31/816882031.db2.gz BLXPHQRWTDQRHR-LLVKDONJSA-N 2 2 261.341 -0.275 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)N[C@H]1C[C@H]([NH2+]CCCO)C1 ZINC001317082888 816929611 /nfs/dbraw/zinc/92/96/11/816929611.db2.gz MCMVYLKPGHORAI-HAQNSBGRSA-N 2 2 280.372 -0.028 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N2CCCC[C@H]2C[NH2+]CCCO)C1 ZINC001317185934 816938188 /nfs/dbraw/zinc/93/81/88/816938188.db2.gz XXLTYXQTYHRPIF-KBPBESRZSA-N 2 2 299.415 -0.330 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N2CCCC[C@H]2C[NH2+]CCCO)C1 ZINC001317185934 816938192 /nfs/dbraw/zinc/93/81/92/816938192.db2.gz XXLTYXQTYHRPIF-KBPBESRZSA-N 2 2 299.415 -0.330 20 0 CBADLP CN(CC[NH2+]CCNC(=O)C1CC1)C(=O)Cn1cc[nH+]c1 ZINC001317665845 817042806 /nfs/dbraw/zinc/04/28/06/817042806.db2.gz BLLCTKJPHWDXRW-UHFFFAOYSA-N 2 2 293.371 -0.543 20 0 CBADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+][C@H](C)C(N)=O ZINC001319291790 817185995 /nfs/dbraw/zinc/18/59/95/817185995.db2.gz SULASSBPOZDMGO-VHSXEESVSA-N 2 2 267.333 -0.901 20 0 CBADLP CCN1CC[NH+](CCC(=O)NCC[NH+]2CCC2)CC1 ZINC001319420212 817202395 /nfs/dbraw/zinc/20/23/95/817202395.db2.gz SERDTFUSXLPDTG-UHFFFAOYSA-N 2 2 268.405 -0.164 20 0 CBADLP CC[N@H+](C)CCC(=O)N(C)CC[NH+](C)CC(N)=O ZINC001320067648 817275297 /nfs/dbraw/zinc/27/52/97/817275297.db2.gz ACZZWMJIHJZFMP-UHFFFAOYSA-N 2 2 258.366 -0.796 20 0 CBADLP CC[N@@H+](C)CCC(=O)N(C)CC[NH+](C)CC(N)=O ZINC001320067648 817275302 /nfs/dbraw/zinc/27/53/02/817275302.db2.gz ACZZWMJIHJZFMP-UHFFFAOYSA-N 2 2 258.366 -0.796 20 0 CBADLP CC[NH+](C)CCC(=O)N(C)CC[N@H+](C)CC(N)=O ZINC001320067648 817275305 /nfs/dbraw/zinc/27/53/05/817275305.db2.gz ACZZWMJIHJZFMP-UHFFFAOYSA-N 2 2 258.366 -0.796 20 0 CBADLP CC[NH+](C)CCC(=O)N(C)CC[N@@H+](C)CC(N)=O ZINC001320067648 817275308 /nfs/dbraw/zinc/27/53/08/817275308.db2.gz ACZZWMJIHJZFMP-UHFFFAOYSA-N 2 2 258.366 -0.796 20 0 CBADLP C[C@@H](C(=O)NC[C@]1(O)CC[N@H+](C)C1)n1cc[nH+]c1 ZINC001320222640 817297667 /nfs/dbraw/zinc/29/76/67/817297667.db2.gz FDOGANZNUCLKBW-CMPLNLGQSA-N 2 2 252.318 -0.373 20 0 CBADLP C[C@@H](C(=O)NC[C@]1(O)CC[N@@H+](C)C1)n1cc[nH+]c1 ZINC001320222640 817297671 /nfs/dbraw/zinc/29/76/71/817297671.db2.gz FDOGANZNUCLKBW-CMPLNLGQSA-N 2 2 252.318 -0.373 20 0 CBADLP COCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001320271157 817309867 /nfs/dbraw/zinc/30/98/67/817309867.db2.gz BPUFZOVIFSRMII-QJPTWQEYSA-N 2 2 296.371 -0.763 20 0 CBADLP CC[N@H+](CCO)CCNC(=O)[C@H](C)n1cc[nH+]c1 ZINC001320327339 817322429 /nfs/dbraw/zinc/32/24/29/817322429.db2.gz GDNJDJYCTDIJNJ-NSHDSACASA-N 2 2 254.334 -0.126 20 0 CBADLP CC[N@@H+](CCO)CCNC(=O)[C@H](C)n1cc[nH+]c1 ZINC001320327339 817322433 /nfs/dbraw/zinc/32/24/33/817322433.db2.gz GDNJDJYCTDIJNJ-NSHDSACASA-N 2 2 254.334 -0.126 20 0 CBADLP C[C@@H](CC[NH2+]Cc1ccon1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001320375464 817329096 /nfs/dbraw/zinc/32/90/96/817329096.db2.gz IIIWUQFTSJTTHD-WCQYABFASA-N 2 2 296.371 -0.010 20 0 CBADLP C[C@@H](CC[NH2+]Cc1ccon1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001320375464 817329100 /nfs/dbraw/zinc/32/91/00/817329100.db2.gz IIIWUQFTSJTTHD-WCQYABFASA-N 2 2 296.371 -0.010 20 0 CBADLP C[C@H](CC[NH2+]CC(N)=O)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001320575008 817356961 /nfs/dbraw/zinc/35/69/61/817356961.db2.gz YXJUOGKUUDVCRB-VHSXEESVSA-N 2 2 281.360 -0.442 20 0 CBADLP C[C@H](CC[NH2+]CC(N)=O)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001320575008 817356969 /nfs/dbraw/zinc/35/69/69/817356969.db2.gz YXJUOGKUUDVCRB-VHSXEESVSA-N 2 2 281.360 -0.442 20 0 CBADLP CC[C@@H](C(=O)N(CC)CC[NH2+]Cc1nnnn1C)[NH+](C)C ZINC001320840513 817400933 /nfs/dbraw/zinc/40/09/33/817400933.db2.gz LTSZSNKQIVJVLS-NSHDSACASA-N 2 2 297.407 -0.512 20 0 CBADLP CN(C)C(=O)C[NH2+]C/C=C\CNC(=O)CCn1cc[nH+]c1 ZINC001321177669 817455080 /nfs/dbraw/zinc/45/50/80/817455080.db2.gz IPZVJNNQPYXDQU-ARJAWSKDSA-N 2 2 293.371 -0.377 20 0 CBADLP C[C@@H](CC(=O)NC/C=C/C[NH2+]CC(N)=O)n1cc[nH+]c1 ZINC001321269865 817471153 /nfs/dbraw/zinc/47/11/53/817471153.db2.gz FJGBMKPNNOGMEA-VUDBWIFFSA-N 2 2 279.344 -0.419 20 0 CBADLP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC001253405746 825913315 /nfs/dbraw/zinc/91/33/15/825913315.db2.gz MVOLXZGUMVAQPJ-ZJUUUORDSA-N 2 2 264.391 -0.488 20 0 CBADLP CC[NH+](CC)C[C@@H](O)C[NH2+]CCNC(=O)C(F)(F)F ZINC001253204616 825905973 /nfs/dbraw/zinc/90/59/73/825905973.db2.gz SGJJKRFRAOPHMM-VIFPVBQESA-N 2 2 285.310 -0.043 20 0 CBADLP CN1CCOc2c1cn[nH+]c2N(CC[NH3+])CCO ZINC001163829857 819855790 /nfs/dbraw/zinc/85/57/90/819855790.db2.gz GBPVATHHJMGBCP-UHFFFAOYSA-N 2 2 253.306 -0.937 20 0 CBADLP Nc1nc(N2CC[NH+](CCCCCO)CC2)nc(N)[nH+]1 ZINC001163832066 819856459 /nfs/dbraw/zinc/85/64/59/819856459.db2.gz WEJJVSGSEKYLRZ-UHFFFAOYSA-N 2 2 281.364 -0.679 20 0 CBADLP C[NH+]1CCN(c2cccc(N3C[C@H](O)[C@@H](CO)C3)[nH+]2)CC1 ZINC001164544995 819925707 /nfs/dbraw/zinc/92/57/07/819925707.db2.gz OBIQHZLCGXMENC-OLZOCXBDSA-N 2 2 292.383 -0.377 20 0 CBADLP NC(=O)C[NH2+]CC1(CCNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001165383709 819959591 /nfs/dbraw/zinc/95/95/91/819959591.db2.gz SJSOFTUBEPHOJZ-UHFFFAOYSA-N 2 2 293.371 -0.296 20 0 CBADLP NC(=O)C[NH2+]CC1(CCNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001165383709 819959595 /nfs/dbraw/zinc/95/95/95/819959595.db2.gz SJSOFTUBEPHOJZ-UHFFFAOYSA-N 2 2 293.371 -0.296 20 0 CBADLP CN(C[C@H](O)CO)c1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC001165536041 819973413 /nfs/dbraw/zinc/97/34/13/819973413.db2.gz WMJKQEJDOITHOD-LBPRGKRZSA-N 2 2 266.345 -0.719 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCC[NH2+]Cc1nnn(C)n1 ZINC001166709204 820019040 /nfs/dbraw/zinc/01/90/40/820019040.db2.gz YIMMVJKSEXULQU-MNOVXSKESA-N 2 2 295.391 -0.996 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCC[NH2+]Cc1nnn(C)n1 ZINC001166709204 820019051 /nfs/dbraw/zinc/01/90/51/820019051.db2.gz YIMMVJKSEXULQU-MNOVXSKESA-N 2 2 295.391 -0.996 20 0 CBADLP CC[C@@H](C(=O)NCCC[NH2+]Cc1nnn(C)n1)[NH+](C)C ZINC001166858352 820041941 /nfs/dbraw/zinc/04/19/41/820041941.db2.gz QXUGTNCSUJDEFY-JTQLQIEISA-N 2 2 283.380 -0.854 20 0 CBADLP NC(=O)[C@H]1CCCN1c1cc(N2C[C@@H]([NH3+])[C@@H](F)C2)nc[nH+]1 ZINC001166929598 820046365 /nfs/dbraw/zinc/04/63/65/820046365.db2.gz FWLWEOCHBSKMJE-IVZWLZJFSA-N 2 2 294.334 -0.584 20 0 CBADLP NC(=O)[C@@H]1CN(c2ccc(N3CC[NH2+]CC3)c[nH+]2)CCO1 ZINC001167075453 820066719 /nfs/dbraw/zinc/06/67/19/820066719.db2.gz UCLULIFXUAZIFL-LBPRGKRZSA-N 2 2 291.355 -0.818 20 0 CBADLP [NH3+][C@H]1CN(c2cccc(N3CCC([NH3+])CC3)[nH+]2)C[C@H]1O ZINC001167093619 820071994 /nfs/dbraw/zinc/07/19/94/820071994.db2.gz XKDZKWHYDYALMO-NWDGAFQWSA-N 3 2 277.372 -0.483 20 0 CBADLP C[C@@H]([NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1)c1nncn1C ZINC001167346120 820080044 /nfs/dbraw/zinc/08/00/44/820080044.db2.gz HVXZSWOKLYTGBD-SNVBAGLBSA-N 2 2 291.359 -0.062 20 0 CBADLP C[C@H]([NH2+]CC1(CCNC(=O)Cc2c[nH]c[nH+]2)CC1)C(N)=O ZINC001167331321 820080455 /nfs/dbraw/zinc/08/04/55/820080455.db2.gz FDZUGJHQJPMKHW-JTQLQIEISA-N 2 2 293.371 -0.298 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NCCC[NH2+]CCN1CCNC1=O ZINC001167346636 820081078 /nfs/dbraw/zinc/08/10/78/820081078.db2.gz RGPYUUWEFDOZBH-UHFFFAOYSA-N 2 2 294.359 -0.927 20 0 CBADLP CC(C)CNC(=O)C[NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001167349972 820083152 /nfs/dbraw/zinc/08/31/52/820083152.db2.gz NIKMWIUGRWBMJK-UHFFFAOYSA-N 2 2 295.387 -0.180 20 0 CBADLP CC(C)(C)NC(=O)C[NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001167352613 820084360 /nfs/dbraw/zinc/08/43/60/820084360.db2.gz GTYZXAACHKQUAT-UHFFFAOYSA-N 2 2 295.387 -0.037 20 0 CBADLP CCN(CC)C(=O)C[NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001167355495 820086285 /nfs/dbraw/zinc/08/62/85/820086285.db2.gz LKYURUFXWTYWAD-UHFFFAOYSA-N 2 2 295.387 -0.084 20 0 CBADLP C[C@H](CC(=O)NCCC[NH2+]CCOCCO)n1cc[nH+]c1 ZINC001167429292 820089281 /nfs/dbraw/zinc/08/92/81/820089281.db2.gz QWJORSLASHDOCA-CYBMUJFWSA-N 2 2 298.387 -0.061 20 0 CBADLP COC[C@@H](O)C[NH2+]CCCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001167429018 820090365 /nfs/dbraw/zinc/09/03/65/820090365.db2.gz OTUHGNCHKXUYCM-STQMWFEESA-N 2 2 298.387 -0.063 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCC[NH2+][C@@H](C)C(N)=O ZINC001167978351 820138274 /nfs/dbraw/zinc/13/82/74/820138274.db2.gz MMJAJEWXAFIXSR-ZJUUUORDSA-N 2 2 281.360 -0.442 20 0 CBADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCC[NH2+][C@@H](C)C(N)=O ZINC001167978351 820138278 /nfs/dbraw/zinc/13/82/78/820138278.db2.gz MMJAJEWXAFIXSR-ZJUUUORDSA-N 2 2 281.360 -0.442 20 0 CBADLP C[C@@H]([NH2+]CCCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C(N)=O ZINC001167978349 820138826 /nfs/dbraw/zinc/13/88/26/820138826.db2.gz MMJAJEWXAFIXSR-VHSXEESVSA-N 2 2 281.360 -0.442 20 0 CBADLP C[C@@H]([NH2+]CCCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C(N)=O ZINC001167978349 820138831 /nfs/dbraw/zinc/13/88/31/820138831.db2.gz MMJAJEWXAFIXSR-VHSXEESVSA-N 2 2 281.360 -0.442 20 0 CBADLP C[C@H](NC(=O)[C@H](C)[NH2+]C1CC[NH+](CC2CC2)CC1)C(N)=O ZINC001168369056 820158970 /nfs/dbraw/zinc/15/89/70/820158970.db2.gz VBJSXKOEGDGZAX-QWRGUYRKSA-N 2 2 296.415 -0.171 20 0 CBADLP O=C(Cn1cc[nH+]c1)NCCC1(C[NH2+]CCO)CC1 ZINC001168493220 820163785 /nfs/dbraw/zinc/16/37/85/820163785.db2.gz SSSPHZPEVYMEHO-UHFFFAOYSA-N 2 2 266.345 -0.249 20 0 CBADLP C[NH+]1CCN(C(=[NH2+])Nc2nc(N)nc3nc[nH]c32)CC1 ZINC001168736071 820169702 /nfs/dbraw/zinc/16/97/02/820169702.db2.gz JXJUUUJLRSNCLB-UHFFFAOYSA-N 2 2 275.320 -0.471 20 0 CBADLP C[NH+]1CCN(C(=[NH2+])Nc2ccnc(C(N)=O)c2)CC1 ZINC001168737415 820172037 /nfs/dbraw/zinc/17/20/37/820172037.db2.gz VOOBFSOAISIABY-UHFFFAOYSA-N 2 2 262.317 -0.804 20 0 CBADLP Cn1nccc(NC(=[NH2+])N2CC[NH+](C)CC2)c1=O ZINC001168740034 820172394 /nfs/dbraw/zinc/17/23/94/820172394.db2.gz BFSQCDMWFGSWML-UHFFFAOYSA-N 2 2 250.306 -0.626 20 0 CBADLP [NH3+]Cc1nnnn1-c1nc(C2CC[NH2+]CC2)cc2nc[nH]c21 ZINC001168918373 820190262 /nfs/dbraw/zinc/19/02/62/820190262.db2.gz XBWRWBAACOTKOV-UHFFFAOYSA-N 2 2 299.342 -0.141 20 0 CBADLP Cc1[nH+]ccn1-c1cncc(-n2nnnc2C[NH3+])n1 ZINC001168920799 820193142 /nfs/dbraw/zinc/19/31/42/820193142.db2.gz KDQUTMTZTAKGPH-UHFFFAOYSA-N 2 2 257.261 -0.595 20 0 CBADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccc2c(n1)OCC[NH2+]C2 ZINC001169071200 820203592 /nfs/dbraw/zinc/20/35/92/820203592.db2.gz HGNQKTAYDRYROC-LLVKDONJSA-N 3 2 289.339 -0.389 20 0 CBADLP CC(=O)Nc1cc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)ncn1 ZINC001169070848 820203723 /nfs/dbraw/zinc/20/37/23/820203723.db2.gz DPKRNKBXGKGTDI-SECBINFHSA-N 2 2 276.300 -0.517 20 0 CBADLP CCOC(=O)c1cnc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nc1 ZINC001169067041 820204032 /nfs/dbraw/zinc/20/40/32/820204032.db2.gz MIBWFYSXBFQOEG-SNVBAGLBSA-N 2 2 291.311 -0.299 20 0 CBADLP CS(=O)(=O)c1cncc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c1 ZINC001169073976 820204990 /nfs/dbraw/zinc/20/49/90/820204990.db2.gz ORXQKEUFAMZFNN-SECBINFHSA-N 2 2 296.352 -0.467 20 0 CBADLP CC(=O)Nc1cnc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nc1C ZINC001169072816 820205032 /nfs/dbraw/zinc/20/50/32/820205032.db2.gz ZVJURBXNNFVDJC-SNVBAGLBSA-N 2 2 290.327 -0.209 20 0 CBADLP CN(C)c1cnc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)cn1 ZINC001169071842 820205051 /nfs/dbraw/zinc/20/50/51/820205051.db2.gz GEJKPMUASPRQEI-SECBINFHSA-N 2 2 262.317 -0.410 20 0 CBADLP Cc1nc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nc2nc[nH]c21 ZINC001169072491 820205138 /nfs/dbraw/zinc/20/51/38/820205138.db2.gz TUQFUPRILQWSOY-MRVPVSSYSA-N 2 2 273.300 -0.339 20 0 CBADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ncc(CF)cn1 ZINC001169072981 820205729 /nfs/dbraw/zinc/20/57/29/820205729.db2.gz WQXULJUDYHKSNC-SECBINFHSA-N 2 2 251.265 -0.006 20 0 CBADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccc(-n2cnnn2)nc1 ZINC001169075310 820205297 /nfs/dbraw/zinc/20/52/97/820205297.db2.gz QHUMAQNGHZQVLB-SECBINFHSA-N 2 2 286.299 -0.895 20 0 CBADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cccc2ncnn21 ZINC001169073956 820205308 /nfs/dbraw/zinc/20/53/08/820205308.db2.gz OKLPHOUYOWOYAM-SECBINFHSA-N 2 2 258.285 -0.223 20 0 CBADLP Cc1cc(N(C)C)nc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001169071772 820205378 /nfs/dbraw/zinc/20/53/78/820205378.db2.gz KKLXEJQGYPEACD-SNVBAGLBSA-N 2 2 276.344 -0.101 20 0 CBADLP CN(C)C(=O)c1ccnc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c1 ZINC001169072511 820205554 /nfs/dbraw/zinc/20/55/54/820205554.db2.gz UOQFFVOPCYOKKS-LLVKDONJSA-N 2 2 289.339 -0.169 20 0 CBADLP COc1c(C)ncnc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169071424 820205609 /nfs/dbraw/zinc/20/56/09/820205609.db2.gz CTHPQQPUOJKAGU-SECBINFHSA-N 2 2 263.301 -0.159 20 0 CBADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cnc2c(c1)OCCO2 ZINC001169073212 820205613 /nfs/dbraw/zinc/20/56/13/820205613.db2.gz CSROLASIMKTDON-SECBINFHSA-N 2 2 276.296 -0.099 20 0 CBADLP COc1cc(C)c(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nn1 ZINC001169071792 820205635 /nfs/dbraw/zinc/20/56/35/820205635.db2.gz LFMUBALHDZJRCD-SECBINFHSA-N 2 2 263.301 -0.159 20 0 CBADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1nccc2c1NC(=O)C2 ZINC001169071782 820205686 /nfs/dbraw/zinc/20/56/86/820205686.db2.gz KZYQBBMVVWMJHU-SECBINFHSA-N 2 2 273.296 -0.376 20 0 CBADLP CCOC(=O)c1ncc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)cn1 ZINC001169075103 820205720 /nfs/dbraw/zinc/20/57/20/820205720.db2.gz VBMWPVFPWADEIY-SECBINFHSA-N 2 2 291.311 -0.299 20 0 CBADLP CNC(=O)c1cccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001169072171 820205772 /nfs/dbraw/zinc/20/57/72/820205772.db2.gz JXEGFBKTNPMFGC-SECBINFHSA-N 2 2 275.312 -0.511 20 0 CBADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CN(S(C)(=O)=O)C1)C2 ZINC001169099357 820207663 /nfs/dbraw/zinc/20/76/63/820207663.db2.gz QNKLLKQXGZOQJC-YHPBZONMSA-N 2 2 273.402 -0.155 20 0 CBADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CN(S(C)(=O)=O)C1)C2 ZINC001169099357 820207668 /nfs/dbraw/zinc/20/76/68/820207668.db2.gz QNKLLKQXGZOQJC-YHPBZONMSA-N 2 2 273.402 -0.155 20 0 CBADLP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(=O)NCC(N)=O ZINC001169116896 820208692 /nfs/dbraw/zinc/20/86/92/820208692.db2.gz SRQZUUKHWWOMRI-MMWGEVLESA-N 2 2 268.361 -0.809 20 0 CBADLP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(=O)NCC(N)=O ZINC001169116896 820208696 /nfs/dbraw/zinc/20/86/96/820208696.db2.gz SRQZUUKHWWOMRI-MMWGEVLESA-N 2 2 268.361 -0.809 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](Nc2cc(C[NH3+])ccn2)C[NH2+]1 ZINC001169124578 820210280 /nfs/dbraw/zinc/21/02/80/820210280.db2.gz WWVGOSPSNZREND-ZJUUUORDSA-N 2 2 250.302 -0.144 20 0 CBADLP CC(C)(C)NC(=O)C[NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001169199683 820212192 /nfs/dbraw/zinc/21/21/92/820212192.db2.gz PYSQDHUHLKIOPR-UHFFFAOYSA-N 2 2 295.387 -0.037 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NCCC[NH2+]CCn1cccn1 ZINC001169211632 820214680 /nfs/dbraw/zinc/21/46/80/820214680.db2.gz IVWCIWRNYBQMSU-UHFFFAOYSA-N 2 2 276.344 -0.055 20 0 CBADLP CS(=O)(=O)CC[NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001169205229 820215154 /nfs/dbraw/zinc/21/51/54/820215154.db2.gz VPSRRSIQTURWRH-UHFFFAOYSA-N 2 2 288.373 -0.907 20 0 CBADLP CC(=O)N1CC[C@@H]([NH2+][C@]2(C[NH3+])CN3CCC2CC3)C1 ZINC001169514123 820250948 /nfs/dbraw/zinc/25/09/48/820250948.db2.gz QOZDZGRCPJMPJG-ZIAGYGMSSA-N 2 2 266.389 -0.380 20 0 CBADLP CC(=O)N1CCC[C@@H](NC(=[NH2+])N2CC[NH+](C)CC2)C1 ZINC001169579830 820258781 /nfs/dbraw/zinc/25/87/81/820258781.db2.gz MCBOHIVGSJHXFW-GFCCVEGCSA-N 2 2 267.377 -0.231 20 0 CBADLP C[C@@H](Nc1[nH+]cnc2[nH]cc(C(N)=O)c21)[C@H]1C[NH2+]CCO1 ZINC001170568247 820309009 /nfs/dbraw/zinc/30/90/09/820309009.db2.gz HTSZZWFKNOETLF-VXNVDRBHSA-N 2 2 290.327 -0.154 20 0 CBADLP O=C(NCCC[NH2+]CCO)c1ccc(-n2cc[nH+]c2)cn1 ZINC001170994766 820342694 /nfs/dbraw/zinc/34/26/94/820342694.db2.gz LPIGWLQDYOXNBL-UHFFFAOYSA-N 2 2 289.339 -0.031 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NCCC[NH2+]CC(=O)N1CCC1 ZINC001171226632 820351177 /nfs/dbraw/zinc/35/11/77/820351177.db2.gz INYFRCHYTSLYKX-UHFFFAOYSA-N 2 2 293.371 -0.709 20 0 CBADLP [NH3+]Cc1nccnc1Nc1nccc(N2CC[NH2+]CC2)n1 ZINC001171440824 820361614 /nfs/dbraw/zinc/36/16/14/820361614.db2.gz IOIHZZSSHNBVSL-UHFFFAOYSA-N 2 2 286.343 -0.122 20 0 CBADLP C[NH+]1C(C)(C)CC([NH2+][C@@H](CC(N)=O)C(N)=O)CC1(C)C ZINC001171629725 820366607 /nfs/dbraw/zinc/36/66/07/820366607.db2.gz FEAOGLCEKCYPQI-JTQLQIEISA-N 2 2 284.404 -0.043 20 0 CBADLP [NH3+][C@@H]1COC[C@H]1[NH2+][C@H]1CCC[C@H](n2ncnn2)C1 ZINC001173731643 820408623 /nfs/dbraw/zinc/40/86/23/820408623.db2.gz AWFHCIQKUPNPOF-UKKRHICBSA-N 2 2 252.322 -0.528 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCCC[NH2+]CC(=O)NC1CC1 ZINC001174683196 820415481 /nfs/dbraw/zinc/41/54/81/820415481.db2.gz PJPSNEAMBZISKF-UHFFFAOYSA-N 2 2 293.371 -0.365 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCCC[NH2+]CC(=O)NC(C)C ZINC001174681915 820415685 /nfs/dbraw/zinc/41/56/85/820415685.db2.gz CLCRVIWJKSIIER-UHFFFAOYSA-N 2 2 295.387 -0.119 20 0 CBADLP NC(=[NH2+])N(CCCC[NH3+])C(=O)CCn1cc[nH+]c1 ZINC001176883588 820474687 /nfs/dbraw/zinc/47/46/87/820474687.db2.gz IPXDPMFUTQTNSB-UHFFFAOYSA-N 3 2 252.322 -0.266 20 0 CBADLP C[NH+](C)CCC(=O)N1CC[C@H]2OCC[N@H+](CCO)[C@H]2C1 ZINC001177089855 820492241 /nfs/dbraw/zinc/49/22/41/820492241.db2.gz WEDOUGFVDMYWGX-QWHCGFSZSA-N 2 2 285.388 -0.768 20 0 CBADLP C[NH+](C)CCC(=O)N1CC[C@H]2OCC[N@@H+](CCO)[C@H]2C1 ZINC001177089855 820492244 /nfs/dbraw/zinc/49/22/44/820492244.db2.gz WEDOUGFVDMYWGX-QWHCGFSZSA-N 2 2 285.388 -0.768 20 0 CBADLP O=C(CCCn1cc[nH+]c1)NCCC[NH2+]CCO ZINC001177351597 820506541 /nfs/dbraw/zinc/50/65/41/820506541.db2.gz JIBFFRFVLYHKNK-UHFFFAOYSA-N 2 2 254.334 -0.249 20 0 CBADLP Cn1ccc(C[NH2+]CCCNC(=O)Cn2cc[nH+]c2)n1 ZINC001177400019 820510748 /nfs/dbraw/zinc/51/07/48/820510748.db2.gz ATRPTKVXTIKBKU-UHFFFAOYSA-N 2 2 276.344 -0.087 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]CCCNC(=O)Cn1cc[nH+]c1 ZINC001177404494 820511669 /nfs/dbraw/zinc/51/16/69/820511669.db2.gz BJSJZBUUIMVCLL-JTQLQIEISA-N 2 2 267.333 -0.887 20 0 CBADLP Cc1noc(C[NH2+]CCCNC(=O)Cn2cc[nH+]c2)n1 ZINC001177401119 820511928 /nfs/dbraw/zinc/51/19/28/820511928.db2.gz QEUVRINZWSJFCW-UHFFFAOYSA-N 2 2 278.316 -0.129 20 0 CBADLP O=C(Cn1cc[nH+]c1)NCCC[NH2+]CCN1CCCC1=O ZINC001177411409 820512731 /nfs/dbraw/zinc/51/27/31/820512731.db2.gz SWPUSDOCFPYIOM-UHFFFAOYSA-N 2 2 293.371 -0.399 20 0 CBADLP C[C@@H]([NH2+]CCCNC(=O)Cn1cc[nH+]c1)c1nncn1C ZINC001177405926 820513330 /nfs/dbraw/zinc/51/33/30/820513330.db2.gz SEOCOZRZCLXIIN-LLVKDONJSA-N 2 2 291.359 -0.131 20 0 CBADLP CCOC(=O)CN(CC[NH3+])C(=O)[C@@H](C)n1cc[nH+]c1 ZINC001177930088 820549540 /nfs/dbraw/zinc/54/95/40/820549540.db2.gz ZRXWBZMRWSRTTP-SNVBAGLBSA-N 2 2 268.317 -0.206 20 0 CBADLP [NH3+]CC1(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)COC1 ZINC001178118735 820564836 /nfs/dbraw/zinc/56/48/36/820564836.db2.gz FNSURRDMESDTGC-SECBINFHSA-N 2 2 250.302 -0.711 20 0 CBADLP C[C@H]1[C@@H]([NH2+]CCCO)CCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001178417846 820580397 /nfs/dbraw/zinc/58/03/97/820580397.db2.gz GITPYXLTLLRMLU-RWMBFGLXSA-N 2 2 285.388 -0.722 20 0 CBADLP C[C@H]1[C@@H]([NH2+]CCCO)CCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001178417846 820580406 /nfs/dbraw/zinc/58/04/06/820580406.db2.gz GITPYXLTLLRMLU-RWMBFGLXSA-N 2 2 285.388 -0.722 20 0 CBADLP C[NH+]1CCN(CC(=O)NCC2([NH+]3CCCC3)COC2)CC1 ZINC001178953880 820611115 /nfs/dbraw/zinc/61/11/15/820611115.db2.gz SBABKXHMJDHUPZ-UHFFFAOYSA-N 2 2 296.415 -0.785 20 0 CBADLP CNC(=O)C[NH2+]CCCCCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001179903063 820645727 /nfs/dbraw/zinc/64/57/27/820645727.db2.gz YXGMIYQGTQLGIV-UHFFFAOYSA-N 2 2 295.387 -0.036 20 0 CBADLP CC(C)[NH+]1CCN(CC(=O)NC2C[NH+](C)C2)CC1 ZINC001180349573 820671240 /nfs/dbraw/zinc/67/12/40/820671240.db2.gz QULUGZDSVAZANE-UHFFFAOYSA-N 2 2 254.378 -0.557 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N(C2COC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001180763595 820725132 /nfs/dbraw/zinc/72/51/32/820725132.db2.gz KBKOKYSDNYZBAM-YRGRVCCFSA-N 2 2 297.399 -0.186 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N(C2COC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001180763595 820725136 /nfs/dbraw/zinc/72/51/36/820725136.db2.gz KBKOKYSDNYZBAM-YRGRVCCFSA-N 2 2 297.399 -0.186 20 0 CBADLP COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001182014883 820848119 /nfs/dbraw/zinc/84/81/19/820848119.db2.gz YIKCRHSUBBXXNA-CHWSQXEVSA-N 2 2 295.383 -0.356 20 0 CBADLP COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001182014883 820848131 /nfs/dbraw/zinc/84/81/31/820848131.db2.gz YIKCRHSUBBXXNA-CHWSQXEVSA-N 2 2 295.383 -0.356 20 0 CBADLP C[NH+]1CCC(O)(C(=O)NCCn2cc[nH+]c2)CC1 ZINC001182028916 820852370 /nfs/dbraw/zinc/85/23/70/820852370.db2.gz ILLUSRNNJDDZEY-UHFFFAOYSA-N 2 2 252.318 -0.544 20 0 CBADLP CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001183115137 820974053 /nfs/dbraw/zinc/97/40/53/820974053.db2.gz CGZFFLUVCGWKAP-GFCCVEGCSA-N 2 2 293.371 -0.331 20 0 CBADLP CSc1ncc(O)c(C(=O)N(CCCC[NH3+])C(N)=[NH2+])n1 ZINC001185187518 821101298 /nfs/dbraw/zinc/10/12/98/821101298.db2.gz ACWQURCOLLOZGA-UHFFFAOYSA-N 2 2 298.372 -0.021 20 0 CBADLP CN1CC[N@H+](C)C[C@@H]1C(=O)NC1C[NH+](C(C)(C)C)C1 ZINC001185270270 821120805 /nfs/dbraw/zinc/12/08/05/821120805.db2.gz XOHXWFVGOLCNAK-GFCCVEGCSA-N 2 2 268.405 -0.169 20 0 CBADLP CN1CC[N@@H+](C)C[C@@H]1C(=O)NC1C[NH+](C(C)(C)C)C1 ZINC001185270270 821120809 /nfs/dbraw/zinc/12/08/09/821120809.db2.gz XOHXWFVGOLCNAK-GFCCVEGCSA-N 2 2 268.405 -0.169 20 0 CBADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@@H]1C[NH2+]CC(N)=O ZINC001185788128 821142319 /nfs/dbraw/zinc/14/23/19/821142319.db2.gz LPRGAXVIPOJTSI-VXGBXAGGSA-N 2 2 293.371 -0.557 20 0 CBADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N(CCO)CC[NH2+]CCF ZINC001279746913 828336679 /nfs/dbraw/zinc/33/66/79/828336679.db2.gz WIPQVGNAXTXDGR-GFCCVEGCSA-N 2 2 298.362 -0.175 20 0 CBADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCO[C@H](C[NH2+]CCO)C1 ZINC001280648398 828368968 /nfs/dbraw/zinc/36/89/68/828368968.db2.gz LUOAVZSULNLSSK-WCQYABFASA-N 2 2 296.371 -0.602 20 0 CBADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCO[C@H](C[NH2+]CCO)C1 ZINC001280648398 828368976 /nfs/dbraw/zinc/36/89/76/828368976.db2.gz LUOAVZSULNLSSK-WCQYABFASA-N 2 2 296.371 -0.602 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H]([NH2+]CCCO)C1 ZINC001188369366 822333448 /nfs/dbraw/zinc/33/34/48/822333448.db2.gz XDIOIKCXWFKYPW-LLVKDONJSA-N 2 2 252.318 -0.544 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)[C@H](C)[NH2+]CCO ZINC001282230227 828439802 /nfs/dbraw/zinc/43/98/02/828439802.db2.gz VDKGIRNUJGYIHX-IUCAKERBSA-N 2 2 254.334 -0.264 20 0 CBADLP CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001193601880 824036978 /nfs/dbraw/zinc/03/69/78/824036978.db2.gz MZQBUNHRRDRAKO-VXGBXAGGSA-N 2 2 266.345 -0.086 20 0 CBADLP CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001193601880 824036986 /nfs/dbraw/zinc/03/69/86/824036986.db2.gz MZQBUNHRRDRAKO-VXGBXAGGSA-N 2 2 266.345 -0.086 20 0 CBADLP CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001193601880 824036992 /nfs/dbraw/zinc/03/69/92/824036992.db2.gz MZQBUNHRRDRAKO-VXGBXAGGSA-N 2 2 266.345 -0.086 20 0 CBADLP CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001193601880 824036996 /nfs/dbraw/zinc/03/69/96/824036996.db2.gz MZQBUNHRRDRAKO-VXGBXAGGSA-N 2 2 266.345 -0.086 20 0 CBADLP C[N@H+](CCOCCO)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194448753 824074231 /nfs/dbraw/zinc/07/42/31/824074231.db2.gz LGVJSFJYPRPNOV-ZDUSSCGKSA-N 2 2 296.371 -0.575 20 0 CBADLP C[N@@H+](CCOCCO)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194448753 824074234 /nfs/dbraw/zinc/07/42/34/824074234.db2.gz LGVJSFJYPRPNOV-ZDUSSCGKSA-N 2 2 296.371 -0.575 20 0 CBADLP CNC(=O)[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194460492 824075556 /nfs/dbraw/zinc/07/55/56/824075556.db2.gz PACZGPXEBCKPRJ-RYUDHWBXSA-N 2 2 293.371 -0.450 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194460492 824075560 /nfs/dbraw/zinc/07/55/60/824075560.db2.gz PACZGPXEBCKPRJ-RYUDHWBXSA-N 2 2 293.371 -0.450 20 0 CBADLP C[C@H](CC(=O)N[C@@H]1C[N@H+](CCCO)C[C@H]1O)n1cc[nH+]c1 ZINC001196498641 824161517 /nfs/dbraw/zinc/16/15/17/824161517.db2.gz FVDPUFJESRPFMO-JHJVBQTASA-N 2 2 296.371 -0.622 20 0 CBADLP C[C@H](CC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O)n1cc[nH+]c1 ZINC001196498641 824161525 /nfs/dbraw/zinc/16/15/25/824161525.db2.gz FVDPUFJESRPFMO-JHJVBQTASA-N 2 2 296.371 -0.622 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1[C@H](C)CC[C@@H]1CO ZINC001197334957 824188211 /nfs/dbraw/zinc/18/82/11/824188211.db2.gz GWQXLHWKCPXQEZ-UPJWGTAASA-N 2 2 260.378 -0.229 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1[C@H](C)CC[C@@H]1CO ZINC001197334957 824188213 /nfs/dbraw/zinc/18/82/13/824188213.db2.gz GWQXLHWKCPXQEZ-UPJWGTAASA-N 2 2 260.378 -0.229 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1[C@H](C)CC[C@@H]1CO ZINC001197334957 824188217 /nfs/dbraw/zinc/18/82/17/824188217.db2.gz GWQXLHWKCPXQEZ-UPJWGTAASA-N 2 2 260.378 -0.229 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1[C@H](C)CC[C@@H]1CO ZINC001197334957 824188219 /nfs/dbraw/zinc/18/82/19/824188219.db2.gz GWQXLHWKCPXQEZ-UPJWGTAASA-N 2 2 260.378 -0.229 20 0 CBADLP CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001198277096 824222564 /nfs/dbraw/zinc/22/25/64/824222564.db2.gz ZWJXCKDNCMDJCQ-VXGBXAGGSA-N 2 2 266.345 -0.466 20 0 CBADLP CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001198277096 824222574 /nfs/dbraw/zinc/22/25/74/824222574.db2.gz ZWJXCKDNCMDJCQ-VXGBXAGGSA-N 2 2 266.345 -0.466 20 0 CBADLP COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001198276230 824224137 /nfs/dbraw/zinc/22/41/37/824224137.db2.gz QFBQRDUKQLYWJS-CHWSQXEVSA-N 2 2 296.371 -0.840 20 0 CBADLP COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001198276230 824224142 /nfs/dbraw/zinc/22/41/42/824224142.db2.gz QFBQRDUKQLYWJS-CHWSQXEVSA-N 2 2 296.371 -0.840 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@H+](CC2CC2)C[C@H]1O ZINC001198286031 824224741 /nfs/dbraw/zinc/22/47/41/824224741.db2.gz RXSADGNIKLGNQE-ZIAGYGMSSA-N 2 2 292.383 -0.076 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@H]1O ZINC001198286031 824224743 /nfs/dbraw/zinc/22/47/43/824224743.db2.gz RXSADGNIKLGNQE-ZIAGYGMSSA-N 2 2 292.383 -0.076 20 0 CBADLP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@@H+](CCF)C[C@H]1O ZINC001199070991 824247125 /nfs/dbraw/zinc/24/71/25/824247125.db2.gz BSNATVIGYKXPEA-CHWSQXEVSA-N 2 2 287.379 -0.007 20 0 CBADLP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@H+](CCF)C[C@H]1O ZINC001199070991 824247132 /nfs/dbraw/zinc/24/71/32/824247132.db2.gz BSNATVIGYKXPEA-CHWSQXEVSA-N 2 2 287.379 -0.007 20 0 CBADLP COC(=O)CNC(=O)c1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC001199358998 824265388 /nfs/dbraw/zinc/26/53/88/824265388.db2.gz DYCGVEWQJOGZRV-UHFFFAOYSA-N 2 2 292.339 -0.264 20 0 CBADLP S=C(NCCC[NH+]1CCOCC1)N1CC[N@@H+]2CC[C@@H]2C1 ZINC001199947806 824297530 /nfs/dbraw/zinc/29/75/30/824297530.db2.gz QGZOONQVVJORFM-CYBMUJFWSA-N 2 2 298.456 -0.027 20 0 CBADLP S=C(NCCC[NH+]1CCOCC1)N1CC[N@H+]2CC[C@@H]2C1 ZINC001199947806 824297535 /nfs/dbraw/zinc/29/75/35/824297535.db2.gz QGZOONQVVJORFM-CYBMUJFWSA-N 2 2 298.456 -0.027 20 0 CBADLP O=C(CCc1[nH]cc[nH+]1)N1CCCO[C@H](C[NH2+]CCO)C1 ZINC001200367616 824317446 /nfs/dbraw/zinc/31/74/46/824317446.db2.gz QTCXBMHBALPNPS-GFCCVEGCSA-N 2 2 296.371 -0.458 20 0 CBADLP COCC[NH2+]C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCCO1 ZINC001201720162 824335022 /nfs/dbraw/zinc/33/50/22/824335022.db2.gz PAFGJTKSRRQQNR-LBPRGKRZSA-N 2 2 296.371 -0.194 20 0 CBADLP COCC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCCO1 ZINC001202216318 824342900 /nfs/dbraw/zinc/34/29/00/824342900.db2.gz CBOGYPRJQFIYKG-ZDUSSCGKSA-N 2 2 296.371 -0.263 20 0 CBADLP [NH3+]CCNC(=O)c1cccc(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c1 ZINC001206481684 824400872 /nfs/dbraw/zinc/40/08/72/824400872.db2.gz YFKFPEHHMJMGNN-UONOGXRCSA-N 3 2 292.383 -0.874 20 0 CBADLP [NH3+]CCNC(=O)c1cccc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c1 ZINC001206481684 824400874 /nfs/dbraw/zinc/40/08/74/824400874.db2.gz YFKFPEHHMJMGNN-UONOGXRCSA-N 3 2 292.383 -0.874 20 0 CBADLP CN(C)c1ncc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cn1 ZINC001206520225 824402184 /nfs/dbraw/zinc/40/21/84/824402184.db2.gz QXBUNALCXZKWGH-QWRGUYRKSA-N 2 2 251.334 -0.706 20 0 CBADLP CN(C)c1ncc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cn1 ZINC001206520225 824402188 /nfs/dbraw/zinc/40/21/88/824402188.db2.gz QXBUNALCXZKWGH-QWRGUYRKSA-N 2 2 251.334 -0.706 20 0 CBADLP C[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001207437856 824427857 /nfs/dbraw/zinc/42/78/57/824427857.db2.gz GOAHIYWJTMUJNX-ZYHUDNBSSA-N 2 2 266.345 -0.229 20 0 CBADLP C[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001207437856 824427858 /nfs/dbraw/zinc/42/78/58/824427858.db2.gz GOAHIYWJTMUJNX-ZYHUDNBSSA-N 2 2 266.345 -0.229 20 0 CBADLP C[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001207437856 824427861 /nfs/dbraw/zinc/42/78/61/824427861.db2.gz GOAHIYWJTMUJNX-ZYHUDNBSSA-N 2 2 266.345 -0.229 20 0 CBADLP C[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001207437856 824427864 /nfs/dbraw/zinc/42/78/64/824427864.db2.gz GOAHIYWJTMUJNX-ZYHUDNBSSA-N 2 2 266.345 -0.229 20 0 CBADLP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001207545283 824430057 /nfs/dbraw/zinc/43/00/57/824430057.db2.gz NILCKQIXACGSJU-GHMZBOCLSA-N 2 2 282.388 -0.608 20 0 CBADLP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001207545283 824430061 /nfs/dbraw/zinc/43/00/61/824430061.db2.gz NILCKQIXACGSJU-GHMZBOCLSA-N 2 2 282.388 -0.608 20 0 CBADLP C[NH+](C)C[C@@H]1COCCN1CC[NH+]1CCOCC1 ZINC001209293186 824467961 /nfs/dbraw/zinc/46/79/61/824467961.db2.gz ICSGZLDYLYVMAV-CYBMUJFWSA-N 2 2 257.378 -0.419 20 0 CBADLP [NH3+][C@H](Cc1ccccc1)C[N@@H+]1C[C@H](O)[C@H](CO)C1 ZINC001209846887 824476263 /nfs/dbraw/zinc/47/62/63/824476263.db2.gz XDNHYPAIAMJYMA-MJBXVCDLSA-N 2 2 250.342 -0.159 20 0 CBADLP [NH3+][C@H](Cc1ccccc1)C[N@H+]1C[C@H](O)[C@H](CO)C1 ZINC001209846887 824476266 /nfs/dbraw/zinc/47/62/66/824476266.db2.gz XDNHYPAIAMJYMA-MJBXVCDLSA-N 2 2 250.342 -0.159 20 0 CBADLP CC1(C)[NH2+]C[C@@H](C[N@@H+]2CC[C@@H](O)[C@@](C)(CO)C2)O1 ZINC001209844444 824476000 /nfs/dbraw/zinc/47/60/00/824476000.db2.gz CNSRFAONMPVMQD-DMDPSCGWSA-N 2 2 258.362 -0.224 20 0 CBADLP CC1(C)[NH2+]C[C@@H](C[N@H+]2CC[C@@H](O)[C@@](C)(CO)C2)O1 ZINC001209844444 824476004 /nfs/dbraw/zinc/47/60/04/824476004.db2.gz CNSRFAONMPVMQD-DMDPSCGWSA-N 2 2 258.362 -0.224 20 0 CBADLP CC1(C)[NH2+]C[C@@H](C[N@@H+]2CC[C@@H](O)[C@](C)(CO)C2)O1 ZINC001209844459 824476547 /nfs/dbraw/zinc/47/65/47/824476547.db2.gz CNSRFAONMPVMQD-LOWVWBTDSA-N 2 2 258.362 -0.224 20 0 CBADLP CC1(C)[NH2+]C[C@@H](C[N@H+]2CC[C@@H](O)[C@](C)(CO)C2)O1 ZINC001209844459 824476550 /nfs/dbraw/zinc/47/65/50/824476550.db2.gz CNSRFAONMPVMQD-LOWVWBTDSA-N 2 2 258.362 -0.224 20 0 CBADLP CO[C@@H]1C[N@H+](CCF)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730540 824514324 /nfs/dbraw/zinc/51/43/24/824514324.db2.gz QJDFQSDVRYTVKB-VXGBXAGGSA-N 2 2 291.367 -0.651 20 0 CBADLP CO[C@@H]1C[N@@H+](CCF)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730540 824514326 /nfs/dbraw/zinc/51/43/26/824514326.db2.gz QJDFQSDVRYTVKB-VXGBXAGGSA-N 2 2 291.367 -0.651 20 0 CBADLP CNC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001216561554 824547994 /nfs/dbraw/zinc/54/79/94/824547994.db2.gz XHOQTBKVQYOVFN-BXKDBHETSA-N 2 2 293.371 -0.557 20 0 CBADLP CNC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001217000325 824550529 /nfs/dbraw/zinc/55/05/29/824550529.db2.gz KJPNFELXUKZERM-GHMZBOCLSA-N 2 2 279.344 -0.934 20 0 CBADLP C[N@@H+]1CCO[C@H](COc2ccc(C[C@H]([NH3+])C(N)=O)cc2)C1 ZINC001218344198 824567491 /nfs/dbraw/zinc/56/74/91/824567491.db2.gz RXLZKXLUAWSWJF-KBPBESRZSA-N 2 2 293.367 -0.249 20 0 CBADLP C[N@H+]1CCO[C@H](COc2ccc(C[C@H]([NH3+])C(N)=O)cc2)C1 ZINC001218344198 824567493 /nfs/dbraw/zinc/56/74/93/824567493.db2.gz RXLZKXLUAWSWJF-KBPBESRZSA-N 2 2 293.367 -0.249 20 0 CBADLP Cc1cc(C[C@H](C)NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])on1 ZINC001218500258 824570155 /nfs/dbraw/zinc/57/01/55/824570155.db2.gz FQRARICBZZPJOE-SWPVVBRQSA-N 2 2 252.318 -0.423 20 0 CBADLP Cc1cc(C[C@H](C)NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)on1 ZINC001218500661 824570340 /nfs/dbraw/zinc/57/03/40/824570340.db2.gz LOMVHYOPOVKANQ-NMLBEHRDSA-N 2 2 252.318 -0.281 20 0 CBADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1cnc2c(c1)COCC2 ZINC001218501764 824572471 /nfs/dbraw/zinc/57/24/71/824572471.db2.gz NNPZARLKHHYSJX-JTQLQIEISA-N 2 2 250.302 -0.231 20 0 CBADLP Cc1cc2ncc(C)c(NC(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)n2n1 ZINC001218525698 824582882 /nfs/dbraw/zinc/58/28/82/824582882.db2.gz BLSSBLPTWSMEFI-ZJUUUORDSA-N 2 2 274.328 -0.026 20 0 CBADLP COc1cc(NC(=O)C2([NH3+])CC[NH2+]CC2)ncn1 ZINC001218536555 824587338 /nfs/dbraw/zinc/58/73/38/824587338.db2.gz WDZXNWDBWYWTCN-UHFFFAOYSA-N 2 2 251.290 -0.495 20 0 CBADLP Cc1noc(NC(=O)C2([NH3+])CC[NH2+]CC2)c1C(N)=O ZINC001218551715 824589705 /nfs/dbraw/zinc/58/97/05/824589705.db2.gz TWELZQHEKURLLX-UHFFFAOYSA-N 2 2 267.289 -0.899 20 0 CBADLP Cn1ncc2c1ncnc2NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001218557144 824590443 /nfs/dbraw/zinc/59/04/43/824590443.db2.gz HIUWIYZMWLHEBY-SECBINFHSA-N 2 2 286.299 -0.405 20 0 CBADLP [NH3+]CCSC[C@H]([NH3+])C(=O)Nc1n[nH]c2nccnc12 ZINC001218567684 824594155 /nfs/dbraw/zinc/59/41/55/824594155.db2.gz ILNCOHXKFYCAGR-LURJTMIESA-N 2 2 281.345 -0.738 20 0 CBADLP O=C(Nc1n[nH]c2nccnc12)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218569044 824594442 /nfs/dbraw/zinc/59/44/42/824594442.db2.gz REWLOJTYMBQAKY-ZETCQYMHSA-N 2 2 273.300 -0.948 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cnc2ccc(Cl)nn12 ZINC001218567668 824595246 /nfs/dbraw/zinc/59/52/46/824595246.db2.gz HTROZPQYCMLTRG-BQBZGAKWSA-N 2 2 280.719 -0.132 20 0 CBADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1cnn(C2CCOCC2)c1 ZINC001218589380 824600233 /nfs/dbraw/zinc/60/02/33/824600233.db2.gz ZFULJOFNXQUNSA-NSHDSACASA-N 2 2 267.333 -0.151 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cnn(C2CCOCC2)c1 ZINC001218589132 824601045 /nfs/dbraw/zinc/60/10/45/824601045.db2.gz SWPLVYWICCSBEO-RYUDHWBXSA-N 2 2 279.344 -0.280 20 0 CBADLP [NH3+]C1(C(=O)Nc2cnc3n[nH]cc3c2)CC[NH2+]CC1 ZINC001218614426 824603302 /nfs/dbraw/zinc/60/33/02/824603302.db2.gz JKXHRIGJCKTPGN-UHFFFAOYSA-N 2 2 260.301 -0.023 20 0 CBADLP Cc1[nH]nc2ncc(NC(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)cc12 ZINC001218615485 824605198 /nfs/dbraw/zinc/60/51/98/824605198.db2.gz NRDRYHYNQADUDE-XCBNKYQSSA-N 2 2 260.301 -0.106 20 0 CBADLP Nc1cc(Cl)cnc1NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001218629592 824609378 /nfs/dbraw/zinc/60/93/78/824609378.db2.gz XVLCGYKPYCYSSA-XPUUQOCRSA-N 2 2 255.709 -0.198 20 0 CBADLP COc1nc(Cl)ncc1NC(=O)[C@@H]([NH3+])CC[NH3+] ZINC001218634246 824610148 /nfs/dbraw/zinc/61/01/48/824610148.db2.gz JBVFPTPMRVQPIW-YFKPBYRVSA-N 2 2 259.697 -0.247 20 0 CBADLP COc1nccc(N)c1NC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001218633606 824610202 /nfs/dbraw/zinc/61/02/02/824610202.db2.gz MLKHORBVDRUXLO-UHFFFAOYSA-N 2 2 279.344 -0.048 20 0 CBADLP Nc1ncc(Cl)nc1NC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001218651668 824615445 /nfs/dbraw/zinc/61/54/45/824615445.db2.gz CHYNTWMJRAAVLN-UHFFFAOYSA-N 2 2 270.724 -0.268 20 0 CBADLP Cc1nc(S(C)(=O)=O)ccc1NC(=O)[C@@H]([NH3+])CC[NH3+] ZINC001218661885 824618566 /nfs/dbraw/zinc/61/85/66/824618566.db2.gz QXELQAXQMHJYBW-QMMMGPOBSA-N 2 2 286.357 -0.592 20 0 CBADLP CCOC(=O)c1ncncc1NC(=O)[C@@H]([NH3+])CC[NH3+] ZINC001218679691 824621023 /nfs/dbraw/zinc/62/10/23/824621023.db2.gz VARVPUITSYKXLE-ZETCQYMHSA-N 2 2 267.289 -0.732 20 0 CBADLP Nc1cc[nH]c(=O)c1NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001218679773 824621492 /nfs/dbraw/zinc/62/14/92/824621492.db2.gz WSKDJLGUAAQREM-RWYTXXIDSA-N 2 2 263.301 -0.470 20 0 CBADLP CN(C(=O)[C@@H]([NH3+])CC[NH3+])c1nc(Cl)ccc1N ZINC001218682849 824622695 /nfs/dbraw/zinc/62/26/95/824622695.db2.gz MTPVVGATYVILDD-ZETCQYMHSA-N 2 2 257.725 -0.044 20 0 CBADLP CCOC(=O)c1nc(NC(=O)C2([NH3+])CC[NH2+]CC2)cn1C ZINC001218707798 824626416 /nfs/dbraw/zinc/62/64/16/824626416.db2.gz USHQDIQNHBDSKJ-UHFFFAOYSA-N 2 2 295.343 -0.384 20 0 CBADLP COC[C@@H](C)Oc1cc(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)[nH]n1 ZINC001218718034 824627987 /nfs/dbraw/zinc/62/79/87/824627987.db2.gz BOZJDTWFYAMVAP-HLTSFMKQSA-N 2 2 283.332 -0.549 20 0 CBADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)Nc1cc([C@@H]2CCC[NH2+]2)no1 ZINC001218710442 824628191 /nfs/dbraw/zinc/62/81/91/824628191.db2.gz JDIDRTQRBJFQOU-BQBZGAKWSA-N 2 2 292.303 -0.879 20 0 CBADLP CCN(C)c1ncc(NC(=O)[C@@H]([NH3+])CC[NH3+])cn1 ZINC001218740436 824630583 /nfs/dbraw/zinc/63/05/83/824630583.db2.gz KSOSIFKFQGJOLA-VIFPVBQESA-N 2 2 252.322 -0.453 20 0 CBADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1cc2n(n1)CC(F)(F)CO2 ZINC001218751391 824633544 /nfs/dbraw/zinc/63/35/44/824633544.db2.gz FZFSGHSKSOFWAU-LURJTMIESA-N 2 2 275.259 -0.475 20 0 CBADLP CCOC(=O)c1nc(NC(=O)[C@@H]([NH3+])CC[NH3+])c[nH]1 ZINC001218764514 824636454 /nfs/dbraw/zinc/63/64/54/824636454.db2.gz MQNZZTRGNGJRNV-LURJTMIESA-N 2 2 255.278 -0.799 20 0 CBADLP O=C(C[NH2+]C1CC[NH2+]CC1)Nc1cnn2c1OCCC2 ZINC001218793780 824639033 /nfs/dbraw/zinc/63/90/33/824639033.db2.gz IOVRGJYGUSLONZ-UHFFFAOYSA-N 2 2 279.344 -0.054 20 0 CBADLP O=C(C[NH2+]C1CC[NH2+]CC1)Nc1ncccc1CCO ZINC001218790437 824639368 /nfs/dbraw/zinc/63/93/68/824639368.db2.gz JALMCSZQYVHDMT-UHFFFAOYSA-N 2 2 278.356 -0.104 20 0 CBADLP COCCOc1cc(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)ccn1 ZINC001218807416 824641153 /nfs/dbraw/zinc/64/11/53/824641153.db2.gz WDMAOXNNNWZKSE-KOLCDFICSA-N 2 2 280.328 -0.266 20 0 CBADLP COC(=O)Cc1ccc(O)c(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])c1 ZINC001218868809 824643903 /nfs/dbraw/zinc/64/39/03/824643903.db2.gz HGULRLDTEOQTCT-UWVGGRQHSA-N 2 2 293.323 -0.407 20 0 CBADLP NC(=S)c1cccc(NC(=O)[C@@H]([NH3+])CC[NH3+])c1 ZINC001218968755 824650755 /nfs/dbraw/zinc/65/07/55/824650755.db2.gz RGJXAZOKJYFQMH-VIFPVBQESA-N 2 2 252.343 -0.065 20 0 CBADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)Nc1ccc(CO)cc1 ZINC001219054263 824653499 /nfs/dbraw/zinc/65/34/99/824653499.db2.gz DVDZSXLXZNVODY-AWEZNQCLSA-N 2 2 292.383 -0.132 20 0 CBADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)C1 ZINC001219030030 824654484 /nfs/dbraw/zinc/65/44/84/824654484.db2.gz ZUUWLXYYTBOJOZ-JQWIXIFHSA-N 3 2 276.340 -0.204 20 0 CBADLP COC(=O)c1ccc(N)c(NC(=O)[C@@H]([NH3+])CC[NH3+])c1 ZINC001219146358 824669503 /nfs/dbraw/zinc/66/95/03/824669503.db2.gz BUAFSBNBKVBODP-VIFPVBQESA-N 2 2 266.301 -0.330 20 0 CBADLP COC(=O)c1cc(NC(=O)[C@@H]([NH3+])CC[NH3+])cc2n[nH]cc21 ZINC001219339151 824692558 /nfs/dbraw/zinc/69/25/58/824692558.db2.gz RYDNFONSINSAQQ-JTQLQIEISA-N 2 2 291.311 -0.036 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2cccc3c2NC(=O)NC3)C1 ZINC001219334718 824693110 /nfs/dbraw/zinc/69/31/10/824693110.db2.gz MUOXGALTYQVQIH-SCZZXKLOSA-N 2 2 275.312 -0.051 20 0 CBADLP CC(C)OCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219357854 824697516 /nfs/dbraw/zinc/69/75/16/824697516.db2.gz NIONDAJMDFQUPK-RDBSUJKOSA-N 2 2 299.415 -0.333 20 0 CBADLP CC(C)OCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219357854 824697521 /nfs/dbraw/zinc/69/75/21/824697521.db2.gz NIONDAJMDFQUPK-RDBSUJKOSA-N 2 2 299.415 -0.333 20 0 CBADLP CC(C)OCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001219357854 824697526 /nfs/dbraw/zinc/69/75/26/824697526.db2.gz NIONDAJMDFQUPK-RDBSUJKOSA-N 2 2 299.415 -0.333 20 0 CBADLP CC(C)OCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001219357854 824697530 /nfs/dbraw/zinc/69/75/30/824697530.db2.gz NIONDAJMDFQUPK-RDBSUJKOSA-N 2 2 299.415 -0.333 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cccc2c1CC(=O)NC2 ZINC001219369895 824700628 /nfs/dbraw/zinc/70/06/28/824700628.db2.gz UJSUJBIRTNEEHF-QWRGUYRKSA-N 2 2 274.324 -0.656 20 0 CBADLP NC(=O)c1cc2[nH]ccc2c(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])c1 ZINC001219416936 824706124 /nfs/dbraw/zinc/70/61/24/824706124.db2.gz FFLBUYRGIJOXBP-UWVGGRQHSA-N 2 2 287.323 -0.248 20 0 CBADLP CCn1nnc(-c2ccccc2NC(=O)[C@@H]([NH3+])CC[NH3+])n1 ZINC001219482659 824717725 /nfs/dbraw/zinc/71/77/25/824717725.db2.gz HITHCWBBZIUHKG-JTQLQIEISA-N 2 2 289.343 -0.025 20 0 CBADLP CC(=O)Nc1ccc(O)c(NC(=O)[C@@H]([NH3+])CC[NH3+])c1 ZINC001219529889 824722799 /nfs/dbraw/zinc/72/27/99/824722799.db2.gz CAHFECGDBMBIMW-VIFPVBQESA-N 2 2 266.301 -0.035 20 0 CBADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1cccc2c1[C@H]1C[NH2+]C[C@H]1O2 ZINC001219537299 824722810 /nfs/dbraw/zinc/72/28/10/824722810.db2.gz KVYALGNBGUKSLX-HOTUBEGUSA-N 3 2 276.340 -0.251 20 0 CBADLP CC(=O)Nc1ccc(O)c(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)c1 ZINC001219530844 824723731 /nfs/dbraw/zinc/72/37/31/824723731.db2.gz YJDHKLFRVSASNQ-KCJUWKMLSA-N 2 2 278.312 -0.022 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cccc2c1[C@H]1C[NH2+]C[C@H]1O2 ZINC001219540376 824725557 /nfs/dbraw/zinc/72/55/57/824725557.db2.gz GDABLNALCRCVPM-AVWBDOJWSA-N 3 2 288.351 -0.380 20 0 CBADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)NCC(F)(F)F ZINC001219554253 824727156 /nfs/dbraw/zinc/72/71/56/824727156.db2.gz YNOIUACZAMFUOZ-MRVPVSSYSA-N 2 2 268.283 -0.585 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NCc1ccc2c(c1)OCO2 ZINC001219551603 824727179 /nfs/dbraw/zinc/72/71/79/824727179.db2.gz DMOFPPGZTBUPKQ-UWVGGRQHSA-N 2 2 263.297 -0.422 20 0 CBADLP O=C(NCCn1cc[nH+]c1)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001219564318 824733453 /nfs/dbraw/zinc/73/34/53/824733453.db2.gz XXSXIWFZAGKVGE-GFCCVEGCSA-N 3 2 277.372 -0.127 20 0 CBADLP CS(=O)(=O)N(CC[NH3+])C(=O)[C@@H]([NH3+])C1CCCCC1 ZINC001219594034 824738933 /nfs/dbraw/zinc/73/89/33/824738933.db2.gz XJFLVARJPVGCQC-JTQLQIEISA-N 2 2 277.390 -0.359 20 0 CBADLP Cc1cccn2c(CNC(=O)C3([NH3+])CC[NH2+]CC3)nnc12 ZINC001219597753 824740913 /nfs/dbraw/zinc/74/09/13/824740913.db2.gz TXENJOJOGJZGKZ-UHFFFAOYSA-N 2 2 288.355 -0.265 20 0 CBADLP Cc1cnc(CCNC(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)nc1 ZINC001219600699 824741422 /nfs/dbraw/zinc/74/14/22/824741422.db2.gz CZJIEVWOFQLWAI-RISCZKNCSA-N 2 2 275.356 -0.605 20 0 CBADLP Nc1ccc(CCC(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)c[nH+]1 ZINC001219619991 824859777 /nfs/dbraw/zinc/85/97/77/824859777.db2.gz TTXJFLDJSMXROB-SMDDNHRTSA-N 2 2 296.346 -0.225 20 0 CBADLP Cn1c[nH+]c(CCNC(=O)[C@@H]([NH3+])C2CCC(O)CC2)c1 ZINC001219633923 824867804 /nfs/dbraw/zinc/86/78/04/824867804.db2.gz JFHRIZLWXBCGCI-GDKBPFBDSA-N 2 2 280.372 -0.043 20 0 CBADLP C[C@H]1OCC[C@H]1CNC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001219634534 824868531 /nfs/dbraw/zinc/86/85/31/824868531.db2.gz ZIIBQVRPJYRWDL-BLFANLJRSA-N 2 2 253.346 -0.521 20 0 CBADLP COC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H]1C[NH2+]C[C@H](C)C1 ZINC001219641853 824870431 /nfs/dbraw/zinc/87/04/31/824870431.db2.gz MBXJPTLFMFKZJL-UTLUCORTSA-N 2 2 257.334 -0.761 20 0 CBADLP C[C@H]1C[NH2+]C[C@H](CNC(=O)c2cnc3n2CC[NH2+]C3)C1 ZINC001219664254 824874713 /nfs/dbraw/zinc/87/47/13/824874713.db2.gz WZKZSWYUYYVVSO-GHMZBOCLSA-N 2 2 277.372 -0.038 20 0 CBADLP C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CC[NH2+]C[C@H]2F)C1 ZINC001219695228 824880961 /nfs/dbraw/zinc/88/09/61/824880961.db2.gz RSOLTECMXOHWJP-OUAUKWLOSA-N 2 2 259.325 -0.619 20 0 CBADLP C[N@H+]1CCO[C@H](CNC(=O)[C@H]2CC[NH2+]C[C@H]2F)C1 ZINC001219695228 824880965 /nfs/dbraw/zinc/88/09/65/824880965.db2.gz RSOLTECMXOHWJP-OUAUKWLOSA-N 2 2 259.325 -0.619 20 0 CBADLP C[N@@H+]1CCO[C@H](CNC(=O)C[C@@H]([NH3+])COC(C)(C)C)C1 ZINC001219694496 824882255 /nfs/dbraw/zinc/88/22/55/824882255.db2.gz KAKAUKBFTYXFMP-VXGBXAGGSA-N 2 2 287.404 -0.034 20 0 CBADLP C[N@H+]1CCO[C@H](CNC(=O)C[C@@H]([NH3+])COC(C)(C)C)C1 ZINC001219694496 824882262 /nfs/dbraw/zinc/88/22/62/824882262.db2.gz KAKAUKBFTYXFMP-VXGBXAGGSA-N 2 2 287.404 -0.034 20 0 CBADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)NC[C@H]2CCC3(CC[NH2+]CC3)O2)C1 ZINC001219743962 824890611 /nfs/dbraw/zinc/89/06/11/824890611.db2.gz PZDAPTDMRPUBGE-TUAOUCFPSA-N 3 2 282.388 -0.907 20 0 CBADLP O=C(NC[C@]1(F)CCC[NH2+]C1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001219768414 824892425 /nfs/dbraw/zinc/89/24/25/824892425.db2.gz MMHXHGFIGFPXNK-KGYLQXTDSA-N 3 2 270.352 -0.854 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)NC1CC2(C1)CC[NH2+]CC2 ZINC001219773403 824893135 /nfs/dbraw/zinc/89/31/35/824893135.db2.gz RJXCFPXMPUDVIU-UHFFFAOYSA-N 2 2 280.372 -0.933 20 0 CBADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[C@H]1CCOC12C[NH2+]C2 ZINC001219800937 824895614 /nfs/dbraw/zinc/89/56/14/824895614.db2.gz PDUXSADUYVEPDP-JQWIXIFHSA-N 3 2 293.371 -0.836 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N[C@H]2C[NH2+]Cc3ccsc32)C1 ZINC001219827095 824899520 /nfs/dbraw/zinc/89/95/20/824899520.db2.gz ZFMSONJYLCCFJO-UTLUCORTSA-N 3 2 266.370 -0.302 20 0 CBADLP [NH3+][C@H]1CN[C@H](C(=O)N[C@H]2C[NH2+]Cc3ccsc32)C1 ZINC001219827095 824899527 /nfs/dbraw/zinc/89/95/27/824899527.db2.gz ZFMSONJYLCCFJO-UTLUCORTSA-N 2 2 266.370 -0.302 20 0 CBADLP O=C(N[C@@H]1C[NH2+]Cc2ccsc21)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001219823271 824900573 /nfs/dbraw/zinc/90/05/73/824900573.db2.gz OJXIUMWDVHXBAN-JTNHKYCSSA-N 3 2 292.408 -0.040 20 0 CBADLP O=C(N[C@@H]1c2ccccc2C[C@@H]1O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001219865208 824904765 /nfs/dbraw/zinc/90/47/65/824904765.db2.gz GQGBAGYCUSWQQU-UJDVCPFMSA-N 2 2 287.363 -0.288 20 0 CBADLP COC(=O)[C@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])c1ccc(O)cc1 ZINC001219885545 824908977 /nfs/dbraw/zinc/90/89/77/824908977.db2.gz QYOOQGASSQRWOZ-SDDRHHMPSA-N 2 2 293.323 -0.731 20 0 CBADLP CCOC(=O)CC(=N)NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001219883225 824909045 /nfs/dbraw/zinc/90/90/45/824909045.db2.gz RYMPUCYVHHSISQ-MRVPVSSYSA-N 2 2 267.289 -0.674 20 0 CBADLP CC[C@H](C)[C@@H](CO)NC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001219882810 824909283 /nfs/dbraw/zinc/90/92/83/824909283.db2.gz NVWAEUQQYGCPFT-ZMLRMANQSA-N 2 2 268.361 -0.187 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NC[C@H](O)COc2ccccc2)C1 ZINC001219918784 824914788 /nfs/dbraw/zinc/91/47/88/824914788.db2.gz QXHPTACINPHQHW-MDZLAQPJSA-N 2 2 279.340 -0.768 20 0 CBADLP CC(C)(C)C(=O)CNC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001219943341 824918063 /nfs/dbraw/zinc/91/80/63/824918063.db2.gz FAFXBQLNEYNDEH-NOZJJQNGSA-N 2 2 253.346 -0.331 20 0 CBADLP N[C@@H](C[NH3+])C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC001219938932 824918179 /nfs/dbraw/zinc/91/81/79/824918179.db2.gz JYCXVJMNVQEMLF-LBPRGKRZSA-N 2 2 284.404 -0.576 20 0 CBADLP C[NH+](C)Cc1cccc(CNC(=O)[C@@H]2C[NH2+]C[C@@H]2O)c1 ZINC001219943616 824918846 /nfs/dbraw/zinc/91/88/46/824918846.db2.gz QZELLHJONZDOCX-KGLIPLIRSA-N 2 2 277.368 -0.055 20 0 CBADLP Cc1c[nH]c(CCNC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)[nH+]1 ZINC001219952017 824920015 /nfs/dbraw/zinc/92/00/15/824920015.db2.gz LLVXWZTXWQRTGC-BXUZGUMPSA-N 3 2 277.372 -0.424 20 0 CBADLP Cc1c[nH]c(CCNC(=O)C[C@@H]2COCC[NH2+]2)[nH+]1 ZINC001219952685 824921084 /nfs/dbraw/zinc/92/10/84/824921084.db2.gz ZVAFGIIVQIRYRH-SNVBAGLBSA-N 2 2 252.318 -0.245 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@@]2(C)CC[NH2+]C2)C[NH2+]1 ZINC001219967767 824923463 /nfs/dbraw/zinc/92/34/63/824923463.db2.gz JJAODIAUVLDLPJ-PTRXPTGYSA-N 2 2 255.318 -0.994 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H]([NH3+])c2ccccc2)C[NH2+]1 ZINC001219965265 824924572 /nfs/dbraw/zinc/92/45/72/824924572.db2.gz GJYYBCDJNMRKQH-WOPDTQHZSA-N 2 2 277.324 -0.294 20 0 CBADLP O=C(NC[C@@H]1CCCCO1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001219979034 824929288 /nfs/dbraw/zinc/92/92/88/824929288.db2.gz YMVJKULRPRDMEY-NTZNESFSSA-N 2 2 253.346 -0.377 20 0 CBADLP CN1C[C@H](NC(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)CCC1=O ZINC001220006932 824932797 /nfs/dbraw/zinc/93/27/97/824932797.db2.gz FPZFNGNADAJFIU-CHWSQXEVSA-N 2 2 290.367 -0.004 20 0 CBADLP C[NH+]1CC(NC(=O)[C@@H]2CO[C@@]3(C2)CCC[NH2+]CC3)C1 ZINC001220013211 824934545 /nfs/dbraw/zinc/93/45/45/824934545.db2.gz LCLXFKJFNJNPLE-FZMZJTMJSA-N 2 2 267.373 -0.035 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NC[C@@H]1CCOC1 ZINC001220020516 824936673 /nfs/dbraw/zinc/93/66/73/824936673.db2.gz LKYDIQWHGCUTOA-ONGXEEELSA-N 2 2 252.318 -0.557 20 0 CBADLP N=c1sc2c(n1C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)CC[C@H]([NH3+])C2 ZINC001220025428 824937808 /nfs/dbraw/zinc/93/78/08/824937808.db2.gz POOVCMOWDQYBLL-RNJXMRFFSA-N 3 2 281.385 -0.826 20 0 CBADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)N[C@H]2CCC(=O)NC2=O)cc1 ZINC001220031557 824939746 /nfs/dbraw/zinc/93/97/46/824939746.db2.gz XKPRYNLXOZUZOL-QWRGUYRKSA-N 2 2 290.323 -0.820 20 0 CBADLP N=c1cc(C[NH3+])ccn1C(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001220045294 824943631 /nfs/dbraw/zinc/94/36/31/824943631.db2.gz UKFDQUUBZUGHMA-UHFFFAOYSA-N 3 2 263.345 -0.592 20 0 CBADLP COC(=O)CCCCCNC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220048590 824943958 /nfs/dbraw/zinc/94/39/58/824943958.db2.gz QIQXAIHMUYXWIL-FZMZJTMJSA-N 2 2 283.372 -0.213 20 0 CBADLP COC(=O)C1(NC(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)CCCC1 ZINC001220047714 824944174 /nfs/dbraw/zinc/94/41/74/824944174.db2.gz CZWSTLFXDVYNMD-YGRLFVJLSA-N 2 2 281.356 -0.460 20 0 CBADLP COC(=O)C1(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)CCCC1 ZINC001220047651 824944202 /nfs/dbraw/zinc/94/42/02/824944202.db2.gz AVECTYOWMRSODU-JTQLQIEISA-N 2 2 280.328 -0.119 20 0 CBADLP CCC[N@@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@@H](O)C1 ZINC001220051572 824945735 /nfs/dbraw/zinc/94/57/35/824945735.db2.gz HNKSBYTUMTUSCP-NEPJUHHUSA-N 2 2 280.372 -0.076 20 0 CBADLP CCC[N@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@@H](O)C1 ZINC001220051572 824945726 /nfs/dbraw/zinc/94/57/26/824945726.db2.gz HNKSBYTUMTUSCP-NEPJUHHUSA-N 2 2 280.372 -0.076 20 0 CBADLP COC(=O)[C@H](CCSC)NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001220079375 824950874 /nfs/dbraw/zinc/95/08/74/824950874.db2.gz JAIWYOJFHQWIAD-VGMNWLOBSA-N 2 2 275.374 -0.914 20 0 CBADLP CCCOCCNC(=O)[C@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001220101388 824954544 /nfs/dbraw/zinc/95/45/44/824954544.db2.gz LQAZOLMNSPAXLY-GFCCVEGCSA-N 2 2 272.393 -0.720 20 0 CBADLP CCCOCCNC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001220101171 824954951 /nfs/dbraw/zinc/95/49/51/824954951.db2.gz BLWGQLTUUWYFPL-NSHDSACASA-N 2 2 254.334 -0.167 20 0 CBADLP CO[C@@H](C)C[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001220103912 824955304 /nfs/dbraw/zinc/95/53/04/824955304.db2.gz OKDABKFFHOOSNW-XQQFMLRXSA-N 2 2 296.371 -0.531 20 0 CBADLP CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001220103912 824955311 /nfs/dbraw/zinc/95/53/11/824955311.db2.gz OKDABKFFHOOSNW-XQQFMLRXSA-N 2 2 296.371 -0.531 20 0 CBADLP [NH3+]C1(C(=O)NCCOC(F)(F)F)CC[NH2+]CC1 ZINC001220139729 824964632 /nfs/dbraw/zinc/96/46/32/824964632.db2.gz WCWHSNPIJMPFML-UHFFFAOYSA-N 2 2 255.240 -0.280 20 0 CBADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001220158975 824973012 /nfs/dbraw/zinc/97/30/12/824973012.db2.gz KTCTXKOEXIXRAX-KWBADKCTSA-N 2 2 293.375 -0.892 20 0 CBADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N[C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC001220161577 824974425 /nfs/dbraw/zinc/97/44/25/824974425.db2.gz DHKMWSDXOKYIHI-KZVDOYCCSA-N 3 2 266.389 -0.286 20 0 CBADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N[C@@H]2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC001220161583 824975266 /nfs/dbraw/zinc/97/52/66/824975266.db2.gz DHKMWSDXOKYIHI-OPDFLTKYSA-N 3 2 266.389 -0.286 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001220163642 824975395 /nfs/dbraw/zinc/97/53/95/824975395.db2.gz SKJCOAOHZFSJSD-UHXUPSOCSA-N 3 2 266.389 -0.428 20 0 CBADLP CCC1(CNC(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)COC1 ZINC001220170987 824975898 /nfs/dbraw/zinc/97/58/98/824975898.db2.gz ZXXWKTKNZGYNAI-MFKMUULPSA-N 2 2 253.346 -0.519 20 0 CBADLP CCC1(CNC(=O)[C@@H](N)C[NH+]2CCC([NH3+])CC2)COC1 ZINC001220170481 824975954 /nfs/dbraw/zinc/97/59/54/824975954.db2.gz LKMCOMITWDBOAH-LBPRGKRZSA-N 2 2 284.404 -0.720 20 0 CBADLP CCC1(CNC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)COC1 ZINC001220170187 824976309 /nfs/dbraw/zinc/97/63/09/824976309.db2.gz CTZAPROYHUMAMQ-GARJFASQSA-N 2 2 253.346 -0.521 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NCC1CC(=O)C1 ZINC001220176816 824979097 /nfs/dbraw/zinc/97/90/97/824979097.db2.gz JHVJROAQAQLHLP-NSHDSACASA-N 2 2 250.302 -0.615 20 0 CBADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)N[C@H]2COCC[C@@H]2O)cc1 ZINC001220181260 824979287 /nfs/dbraw/zinc/97/92/87/824979287.db2.gz GVGWRRHNWGSXDI-AGIUHOORSA-N 2 2 279.340 -0.475 20 0 CBADLP Cn1ccc(CNC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)cc1=O ZINC001220179461 824979921 /nfs/dbraw/zinc/97/99/21/824979921.db2.gz LLIXIKCBHOJFMV-LLVKDONJSA-N 2 2 275.312 -0.705 20 0 CBADLP C[C@@H](NC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C)c1cncnc1 ZINC001220183302 824981585 /nfs/dbraw/zinc/98/15/85/824981585.db2.gz LDRMUUGGWQNUET-SKDRFNHKSA-N 2 2 274.328 -0.043 20 0 CBADLP C[S@@](=O)CC[C@H]([NH3+])C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC001220185145 824982887 /nfs/dbraw/zinc/98/28/87/824982887.db2.gz AKQGHLKHLQDTQO-OCCIGCLGSA-N 2 2 297.371 -0.557 20 0 CBADLP N[C@@]1(C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)CC[NH2+]C1 ZINC001220189855 824983101 /nfs/dbraw/zinc/98/31/01/824983101.db2.gz WVHUCINPNQXZNB-WPRPVWTQSA-N 2 2 262.304 -0.962 20 0 CBADLP COC(=O)[C@@H]([NH3+])CCC(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC001220186359 824983321 /nfs/dbraw/zinc/98/33/21/824983321.db2.gz OSXOTCSLUNTOJP-BDAKNGLRSA-N 2 2 293.314 -0.372 20 0 CBADLP O=C(NC[C@H]1CC[NH2+]CC1(F)F)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220185380 824983444 /nfs/dbraw/zinc/98/34/44/824983444.db2.gz GVBYALGYFOAUKR-ZJUUUORDSA-N 3 2 288.342 -0.844 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NC[C@H]1C[C@@H](O)C1 ZINC001220191578 824983999 /nfs/dbraw/zinc/98/39/99/824983999.db2.gz LHQHZMRUDOHYIM-GDPRMGEGSA-N 2 2 252.318 -0.823 20 0 CBADLP O=C(NCC1([NH+]2CCCC2)COC1)[C@H]1CC[NH2+]C[C@H]1F ZINC001220197839 824984704 /nfs/dbraw/zinc/98/47/04/824984704.db2.gz UDRBPWHTXKZEFU-NWDGAFQWSA-N 2 2 285.363 -0.085 20 0 CBADLP [NH3+][C@@H](CC(F)F)C(=O)NCC1([NH+]2CCCC2)COC1 ZINC001220197787 824984846 /nfs/dbraw/zinc/98/48/46/824984846.db2.gz RPLOZNBCQVNDRM-VIFPVBQESA-N 2 2 277.315 -0.050 20 0 CBADLP CC(C)(C)[C@H](CO)NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220216964 824988065 /nfs/dbraw/zinc/98/80/65/824988065.db2.gz GKGVQXBZJALREA-ZJUUUORDSA-N 2 2 254.334 -0.197 20 0 CBADLP CC(C)(C)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220216963 824988163 /nfs/dbraw/zinc/98/81/63/824988163.db2.gz GKGVQXBZJALREA-UWVGGRQHSA-N 2 2 254.334 -0.197 20 0 CBADLP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220221021 824989564 /nfs/dbraw/zinc/98/95/64/824989564.db2.gz OAHYIIWSXBPNCG-OSFYFWSMSA-N 3 2 280.416 -0.073 20 0 CBADLP O=C(NCCc1cnccn1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220242990 824992250 /nfs/dbraw/zinc/99/22/50/824992250.db2.gz MLKKWVPTEZIFJL-ZWNOBZJWSA-N 2 2 261.329 -0.913 20 0 CBADLP [NH3+]CC[C@H]([NH3+])C(=O)NCCc1nc(-c2ccccc2)n[nH]1 ZINC001220245108 824992458 /nfs/dbraw/zinc/99/24/58/824992458.db2.gz GNBNGCXMCKAANX-NSHDSACASA-N 2 2 288.355 -0.194 20 0 CBADLP C[N@@H+]1CCC[C@H]1CCNC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220251700 824994349 /nfs/dbraw/zinc/99/43/49/824994349.db2.gz CAQFHDLCHPEVHC-ZDEQEGDKSA-N 3 2 266.389 -0.463 20 0 CBADLP C[N@H+]1CCC[C@H]1CCNC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220251700 824994354 /nfs/dbraw/zinc/99/43/54/824994354.db2.gz CAQFHDLCHPEVHC-ZDEQEGDKSA-N 3 2 266.389 -0.463 20 0 CBADLP [NH3+]CCN(C(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1)c1cccnc1 ZINC001220261093 824997511 /nfs/dbraw/zinc/99/75/11/824997511.db2.gz QLWUZANTIVOTQN-GFCCVEGCSA-N 3 2 274.328 -0.334 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N[C@H]1CCc2n[nH]cc2C1 ZINC001220260839 824997768 /nfs/dbraw/zinc/99/77/68/824997768.db2.gz HZZTXDUJHFLPQQ-JQWIXIFHSA-N 2 2 288.355 -0.313 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N(CC[NH3+])c1cccnc1 ZINC001220261072 824998098 /nfs/dbraw/zinc/99/80/98/824998098.db2.gz PONPHPLUODZLEJ-ZDUSSCGKSA-N 3 2 288.355 -0.323 20 0 CBADLP COCCn1c[nH+]cc1CNC(=O)C[C@@H]1COCC[NH2+]1 ZINC001220275227 825003105 /nfs/dbraw/zinc/00/31/05/825003105.db2.gz VVBAYFDCULXSKO-LLVKDONJSA-N 2 2 282.344 -0.476 20 0 CBADLP COCCn1c[nH+]cc1CNC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001220275419 825003194 /nfs/dbraw/zinc/00/31/94/825003194.db2.gz YGYBSAFPHYXFHM-ZDUSSCGKSA-N 3 2 295.387 -0.527 20 0 CBADLP Cc1cccn2cc(CNC(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)nc12 ZINC001220278202 825004581 /nfs/dbraw/zinc/00/45/81/825004581.db2.gz HIJRFAVFQUDKMK-PWSUYJOCSA-N 2 2 273.340 -0.052 20 0 CBADLP O=C(NCCc1cn2ccccc2n1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220278626 825005688 /nfs/dbraw/zinc/00/56/88/825005688.db2.gz YTZHFWHSDGAOIM-MLGOLLRUSA-N 2 2 299.378 -0.056 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCCNC(=O)c2ccc(F)cc2)C1 ZINC001220287022 825005987 /nfs/dbraw/zinc/00/59/87/825005987.db2.gz UPDJBHCHLWLWRD-NEPJUHHUSA-N 2 2 294.330 -0.639 20 0 CBADLP C[C@]1(C(=O)N[C@@H](CO)Cc2c[nH]c[nH+]2)CC[NH2+]C1 ZINC001220290983 825006906 /nfs/dbraw/zinc/00/69/06/825006906.db2.gz JGTHLVWPLCEERV-PWSUYJOCSA-N 2 2 252.318 -0.571 20 0 CBADLP C[C@]1(C(=O)N[C@@H](CO)Cc2c[nH+]c[nH]2)CC[NH2+]C1 ZINC001220290983 825006912 /nfs/dbraw/zinc/00/69/12/825006912.db2.gz JGTHLVWPLCEERV-PWSUYJOCSA-N 2 2 252.318 -0.571 20 0 CBADLP O=C(N[C@@H](CO)Cc1c[nH]c[nH+]1)[C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1 ZINC001220290786 825007884 /nfs/dbraw/zinc/00/78/84/825007884.db2.gz DSIPFPBRYHGKNU-ZBAXXZLZSA-N 2 2 294.355 -0.804 20 0 CBADLP O=C(N[C@@H](CO)Cc1c[nH+]c[nH]1)[C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1 ZINC001220290786 825007891 /nfs/dbraw/zinc/00/78/91/825007891.db2.gz DSIPFPBRYHGKNU-ZBAXXZLZSA-N 2 2 294.355 -0.804 20 0 CBADLP Cc1cc(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)n(N)c(=O)c1 ZINC001220324030 825015304 /nfs/dbraw/zinc/01/53/04/825015304.db2.gz VDCKRXQIVYDAAV-KKFJDGPESA-N 2 2 277.328 -0.969 20 0 CBADLP O=C(N[C@@H]1CC12CCOCC2)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220329297 825017196 /nfs/dbraw/zinc/01/71/96/825017196.db2.gz LPLUQKYCXJKQRO-MISXGVKJSA-N 2 2 265.357 -0.377 20 0 CBADLP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001220334973 825017285 /nfs/dbraw/zinc/01/72/85/825017285.db2.gz FRVWEMCCBBHFHW-AVGNSLFASA-N 3 2 268.405 -0.230 20 0 CBADLP O=C(NCc1ccc(Cl)nn1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220368717 825020806 /nfs/dbraw/zinc/02/08/06/825020806.db2.gz KZDPBKKKEXESAW-QPUJVOFHSA-N 2 2 281.747 -0.302 20 0 CBADLP CCOC(=O)C1(CNC(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)CCC1 ZINC001220371532 825021118 /nfs/dbraw/zinc/02/11/18/825021118.db2.gz VOQDLUHOIFXSRO-XHDPSFHLSA-N 2 2 295.383 -0.213 20 0 CBADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)NCc1cc[nH]c1 ZINC001220388533 825027086 /nfs/dbraw/zinc/02/70/86/825027086.db2.gz YNSBFCIKMVLTQI-GFCCVEGCSA-N 2 2 265.361 -0.619 20 0 CBADLP COC(=O)[C@@H]([NH3+])CC(=O)NCC12CC[NH+](CC1)CC2 ZINC001220394765 825028404 /nfs/dbraw/zinc/02/84/04/825028404.db2.gz MUVSJKCGCLVFQA-JTQLQIEISA-N 2 2 269.345 -0.521 20 0 CBADLP COc1ccc(CCNC(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)nc1 ZINC001220396631 825030129 /nfs/dbraw/zinc/03/01/29/825030129.db2.gz FYIJEFKCYGEOEN-XHDPSFHLSA-N 2 2 290.367 -0.300 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N[C@@H]2c3ccccc3CNC2=O)C1 ZINC001220403599 825031266 /nfs/dbraw/zinc/03/12/66/825031266.db2.gz WPYHHPKHPYBDBL-ADEWGFFLSA-N 2 2 274.324 -0.837 20 0 CBADLP COC(=O)[C@H]1CC[C@@H](NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)C1 ZINC001220405840 825031309 /nfs/dbraw/zinc/03/13/09/825031309.db2.gz DVVRVXOPLGQRRL-JLIMGVALSA-N 2 2 255.318 -0.867 20 0 CBADLP COC(=O)[C@@H]1CC[C@H](NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)C1 ZINC001220406992 825033900 /nfs/dbraw/zinc/03/39/00/825033900.db2.gz ZROMIYDYZNBCKU-YWVKMMECSA-N 2 2 280.328 -0.263 20 0 CBADLP O=C(C[NH2+]C1CC[NH2+]CC1)NCc1ccc2n[nH]nc2c1 ZINC001220426154 825037424 /nfs/dbraw/zinc/03/74/24/825037424.db2.gz BSRBHQSELGYBBJ-UHFFFAOYSA-N 2 2 288.355 -0.084 20 0 CBADLP CC(C)NC(=O)[C@@H](NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2)C(C)C ZINC001220463020 825043875 /nfs/dbraw/zinc/04/38/75/825043875.db2.gz XOMUIIFPUIILHA-FJJYHAOUSA-N 2 2 296.415 -0.126 20 0 CBADLP CC(C)NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])CC[NH3+])C(C)C ZINC001220462585 825044501 /nfs/dbraw/zinc/04/45/01/825044501.db2.gz HNGAMDIMDBIAAL-UWVGGRQHSA-N 2 2 258.366 -0.672 20 0 CBADLP [NH3+][C@H](CNC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2)c1ccccc1 ZINC001220500272 825051027 /nfs/dbraw/zinc/05/10/27/825051027.db2.gz HPJDQTKBRAADMC-NFAWXSAZSA-N 3 2 274.368 -0.246 20 0 CBADLP COC(C)(CNC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)OC ZINC001220509275 825051565 /nfs/dbraw/zinc/05/15/65/825051565.db2.gz QZBUBFWEUCAITK-LPEHRKFASA-N 2 2 257.334 -0.939 20 0 CBADLP COC(C)(CNC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2)OC ZINC001220509081 825052255 /nfs/dbraw/zinc/05/22/55/825052255.db2.gz JVXJFYFBJIXLSX-SKDRFNHKSA-N 2 2 257.334 -0.937 20 0 CBADLP COC(=O)C[C@H](NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)c1cccnc1 ZINC001220529619 825059141 /nfs/dbraw/zinc/05/91/41/825059141.db2.gz GSFGOAGUEBQWPA-WOPDTQHZSA-N 2 2 292.339 -0.509 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCc2nccc(Cl)n2)C1 ZINC001220529671 825059333 /nfs/dbraw/zinc/05/93/33/825059333.db2.gz HPLVNFYJNNLORC-RQJHMYQMSA-N 2 2 255.709 -0.565 20 0 CBADLP C[C@H]1COCC[C@H]1NC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001220564808 825062833 /nfs/dbraw/zinc/06/28/33/825062833.db2.gz GFFREUGCDDLFBJ-ZMLRMANQSA-N 2 2 266.345 -0.169 20 0 CBADLP COC(=O)[C@H](NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1)C(F)(F)F ZINC001220587529 825071510 /nfs/dbraw/zinc/07/15/10/825071510.db2.gz DTKCBZFCPNTGOK-RQJHMYQMSA-N 2 2 294.233 -0.500 20 0 CBADLP COC(=O)[C@@H](NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2)C(F)(F)F ZINC001220587350 825071720 /nfs/dbraw/zinc/07/17/20/825071720.db2.gz AYWUXNRVGHQADF-IBNKKVAHSA-N 2 2 295.261 -0.572 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N[C@H]1CCc2ccc(O)cc2C1 ZINC001220592348 825073127 /nfs/dbraw/zinc/07/31/27/825073127.db2.gz HMZSMXZQNSVLDY-UBHSHLNASA-N 2 2 275.352 -0.088 20 0 CBADLP N=C(NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])c1cccnc1Cl ZINC001220660106 825081199 /nfs/dbraw/zinc/08/11/99/825081199.db2.gz BCGAKOXTCSWBHI-YUMQZZPRSA-N 2 2 267.720 -0.277 20 0 CBADLP COc1cc(F)cc(CNC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])c1 ZINC001220668308 825081767 /nfs/dbraw/zinc/08/17/67/825081767.db2.gz OCOVDIWLFIKXAC-RYUDHWBXSA-N 2 2 267.304 -0.003 20 0 CBADLP O=C(N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220678869 825085174 /nfs/dbraw/zinc/08/51/74/825085174.db2.gz OPNRWLBMLFKNHY-WHPHWUKISA-N 3 2 278.400 -0.273 20 0 CBADLP O=C(NCC1Oc2ccccc2O1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220709015 825089776 /nfs/dbraw/zinc/08/97/76/825089776.db2.gz PISUINUATRHNCV-BMIGLBTASA-N 2 2 289.335 -0.148 20 0 CBADLP Nc1ncc(CCNC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)s1 ZINC001220703552 825090171 /nfs/dbraw/zinc/09/01/71/825090171.db2.gz ADMFXSFHYJIZDV-SECBINFHSA-N 2 2 280.357 -0.323 20 0 CBADLP C[C@@](CO)(NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)c1ccccc1 ZINC001220710811 825091566 /nfs/dbraw/zinc/09/15/66/825091566.db2.gz CNWLGBUIRJAZPX-DYEKYZERSA-N 2 2 263.341 -0.301 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C1CC2(C[NH2+]C2)C1 ZINC001220725563 825092909 /nfs/dbraw/zinc/09/29/09/825092909.db2.gz UKJDBGCLJBVTQE-LLVKDONJSA-N 2 2 267.373 -0.177 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C1CC2(C[NH2+]C2)C1 ZINC001220725563 825092912 /nfs/dbraw/zinc/09/29/12/825092912.db2.gz UKJDBGCLJBVTQE-LLVKDONJSA-N 2 2 267.373 -0.177 20 0 CBADLP COC(CCCNC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C)OC ZINC001220741395 825095206 /nfs/dbraw/zinc/09/52/06/825095206.db2.gz NNODDFRWYGNHCS-NSHDSACASA-N 2 2 284.360 -0.195 20 0 CBADLP O=C(NCCC1CCC(O)CC1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220756529 825096776 /nfs/dbraw/zinc/09/67/76/825096776.db2.gz FMDXAPVDAKVWLL-HNQLUHSGSA-N 2 2 281.400 -0.005 20 0 CBADLP CC(=O)NCCCCCNC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220759420 825097559 /nfs/dbraw/zinc/09/75/59/825097559.db2.gz ZJWCZDGCFNHNHT-OCCSQVGLSA-N 2 2 282.388 -0.640 20 0 CBADLP CC(=O)NCCCCCNC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220758854 825097874 /nfs/dbraw/zinc/09/78/74/825097874.db2.gz LVLWYDBDNFIRKL-RWMBFGLXSA-N 2 2 282.388 -0.641 20 0 CBADLP [NH3+][C@@]12CC[C@@](NC(=O)[C@@]34C[NH2+]C[C@@H]3CC[NH2+]4)(C1)CCC2 ZINC001220777516 825100646 /nfs/dbraw/zinc/10/06/46/825100646.db2.gz UCEMYCHZFSVUSV-SPWCGHHHSA-N 3 2 278.400 -0.142 20 0 CBADLP C[NH2+]CCC(=O)N[C@H](Cc1c[nH+]cn1C)C(=O)OC ZINC001220771724 825100892 /nfs/dbraw/zinc/10/08/92/825100892.db2.gz CIBBPCQIQSBDLM-SNVBAGLBSA-N 2 2 268.317 -0.770 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N[C@H]2CC[NH2+]C[C@@H]2C(F)(F)F)C1 ZINC001220806048 825104183 /nfs/dbraw/zinc/10/41/83/825104183.db2.gz XEXRLXJMJRDRRX-XGEHTFHBSA-N 3 2 280.294 -0.668 20 0 CBADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCF)C[C@@H]1O ZINC001220826271 825106950 /nfs/dbraw/zinc/10/69/50/825106950.db2.gz VOUFWZKGRDWLQQ-NEPJUHHUSA-N 2 2 275.368 -0.151 20 0 CBADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCF)C[C@@H]1O ZINC001220826271 825106953 /nfs/dbraw/zinc/10/69/53/825106953.db2.gz VOUFWZKGRDWLQQ-NEPJUHHUSA-N 2 2 275.368 -0.151 20 0 CBADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCF)C[C@@H]1O ZINC001220826271 825106956 /nfs/dbraw/zinc/10/69/56/825106956.db2.gz VOUFWZKGRDWLQQ-NEPJUHHUSA-N 2 2 275.368 -0.151 20 0 CBADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001220826271 825106960 /nfs/dbraw/zinc/10/69/60/825106960.db2.gz VOUFWZKGRDWLQQ-NEPJUHHUSA-N 2 2 275.368 -0.151 20 0 CBADLP CCOC(=O)[C@H](C)CNC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220848704 825110530 /nfs/dbraw/zinc/11/05/30/825110530.db2.gz GMHWBBSXAHUODL-GBIKHYSHSA-N 2 2 269.345 -0.747 20 0 CBADLP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220857755 825113494 /nfs/dbraw/zinc/11/34/94/825113494.db2.gz QNJUIWFUWZSNCP-KWBADKCTSA-N 3 2 254.378 -0.573 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCCO[C@@H]2CCCCO2)C1 ZINC001220861800 825113558 /nfs/dbraw/zinc/11/35/58/825113558.db2.gz FBHDDHRDNSECRI-OUAUKWLOSA-N 2 2 257.334 -0.665 20 0 CBADLP [NH3+]Cc1ccccc1CNC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220855101 825113756 /nfs/dbraw/zinc/11/37/56/825113756.db2.gz LXVOXAPXAOWTOR-UKRRQHHQSA-N 3 2 274.368 -0.287 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@H+](CC2CC2)C[C@@H]1O ZINC001220882332 825120107 /nfs/dbraw/zinc/12/01/07/825120107.db2.gz RXSADGNIKLGNQE-KGLIPLIRSA-N 2 2 292.383 -0.076 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1O ZINC001220882332 825120111 /nfs/dbraw/zinc/12/01/11/825120111.db2.gz RXSADGNIKLGNQE-KGLIPLIRSA-N 2 2 292.383 -0.076 20 0 CBADLP CCn1nnc2c1[C@H](C(=O)N[C@@H]1CCC[NH2+]C1)C[NH2+]C2 ZINC001220882097 825120283 /nfs/dbraw/zinc/12/02/83/825120283.db2.gz RVWKASWDHFMNRM-NXEZZACHSA-N 2 2 278.360 -0.647 20 0 CBADLP COC(=O)C[C@H](NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)c1ccccn1 ZINC001220900522 825122870 /nfs/dbraw/zinc/12/28/70/825122870.db2.gz LZZUDXHFCUGXDQ-USWWRNFRSA-N 2 2 292.339 -0.509 20 0 CBADLP COC(=O)[C@@H]([NH3+])CC(=O)N(C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001220930013 825123762 /nfs/dbraw/zinc/12/37/62/825123762.db2.gz JWSFSTATTXMLMX-NHCYSSNCSA-N 2 2 299.371 -0.626 20 0 CBADLP CC(C)(C)C(=O)C[NH+]1CCC(NC(=O)[C@@H]([NH3+])CC[NH3+])CC1 ZINC001220909679 825124087 /nfs/dbraw/zinc/12/40/87/825124087.db2.gz YKAUIOGRZJUTBK-LBPRGKRZSA-N 3 2 298.431 -0.142 20 0 CBADLP O=C(NC1(c2ncccn2)CC1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220933175 825126381 /nfs/dbraw/zinc/12/63/81/825126381.db2.gz ZUWFVBZRBOZFTL-IINYFYTJSA-N 2 2 273.340 -0.467 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCC(=O)NCc2ccc(F)cc2)C1 ZINC001220939164 825127432 /nfs/dbraw/zinc/12/74/32/825127432.db2.gz IVFZBNZWIQJZOV-NEPJUHHUSA-N 2 2 294.330 -0.753 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N[C@H]2CCCc3nccnc32)C1 ZINC001220951014 825128610 /nfs/dbraw/zinc/12/86/10/825128610.db2.gz NFYZWBQLWHSGDQ-MIMYLULJSA-N 2 2 261.329 -0.341 20 0 CBADLP CC1(C)C[C@@H](CNC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])CCO1 ZINC001220952999 825128641 /nfs/dbraw/zinc/12/86/41/825128641.db2.gz JYXYFTOYCAACEH-DCAQKATOSA-N 2 2 255.362 -0.146 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCc2cnn(CC(F)(F)F)c2)C1 ZINC001220973198 825130110 /nfs/dbraw/zinc/13/01/10/825130110.db2.gz RHDLJUBYZZFYFV-BDAKNGLRSA-N 2 2 291.277 -0.249 20 0 CBADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NCC1(c2cnccn2)CC1 ZINC001220992238 825131682 /nfs/dbraw/zinc/13/16/82/825131682.db2.gz JIJJJIKKFAJXEU-LLVKDONJSA-N 2 2 286.339 -0.083 20 0 CBADLP CC(C)OCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001220979290 825132247 /nfs/dbraw/zinc/13/22/47/825132247.db2.gz JKRFZSLYFIZPLA-KGLIPLIRSA-N 2 2 299.415 -0.332 20 0 CBADLP CC(C)OCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001220979290 825132257 /nfs/dbraw/zinc/13/22/57/825132257.db2.gz JKRFZSLYFIZPLA-KGLIPLIRSA-N 2 2 299.415 -0.332 20 0 CBADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NCCc1nncs1 ZINC001221013375 825136570 /nfs/dbraw/zinc/13/65/70/825136570.db2.gz POWRWTUBBLOATA-MRVPVSSYSA-N 2 2 266.330 -0.510 20 0 CBADLP COC[C@H](NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2)C1CC1 ZINC001221012746 825137176 /nfs/dbraw/zinc/13/71/76/825137176.db2.gz AROCFTMFWBGUNT-DCQANWLSSA-N 2 2 253.346 -0.251 20 0 CBADLP COC[C@H](NC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2)C1CC1 ZINC001221012970 825137354 /nfs/dbraw/zinc/13/73/54/825137354.db2.gz GFKHYURTBUJOGJ-MDZLAQPJSA-N 2 2 253.346 -0.521 20 0 CBADLP O=C(NCCc1nncs1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001221013418 825137649 /nfs/dbraw/zinc/13/76/49/825137649.db2.gz QSQLALQKQQYYSM-LDYMZIIASA-N 2 2 267.358 -0.852 20 0 CBADLP Cc1nccnc1CNC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001221103593 825142777 /nfs/dbraw/zinc/14/27/77/825142777.db2.gz ODEUSIPHNMBORD-JTQLQIEISA-N 2 2 260.301 -0.306 20 0 CBADLP COCCC1([NH3+])CCN(C(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)CC1 ZINC001221133994 825147193 /nfs/dbraw/zinc/14/71/93/825147193.db2.gz FWZNOVPCVUJMHD-GFCCVEGCSA-N 3 2 295.387 -0.364 20 0 CBADLP COC(=O)[C@H]1C2CCC(CC2)[C@@H]1NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001221246247 825161825 /nfs/dbraw/zinc/16/18/25/825161825.db2.gz VGSUMBJEFHGTSA-XWWYXVDQSA-N 2 2 295.383 -0.373 20 0 CBADLP C[N@H+]1CC[C@@H](CNC(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)C1 ZINC001221254666 825162162 /nfs/dbraw/zinc/16/21/62/825162162.db2.gz RYYPHLHJDMAVQF-DMDPSCGWSA-N 3 2 252.362 -0.994 20 0 CBADLP C[N@@H+]1CC[C@@H](CNC(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)C1 ZINC001221254751 825161879 /nfs/dbraw/zinc/16/18/79/825161879.db2.gz RYYPHLHJDMAVQF-LOWVWBTDSA-N 3 2 252.362 -0.994 20 0 CBADLP C[N@H+]1CC[C@@H](CNC(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)C1 ZINC001221254751 825161883 /nfs/dbraw/zinc/16/18/83/825161883.db2.gz RYYPHLHJDMAVQF-LOWVWBTDSA-N 3 2 252.362 -0.994 20 0 CBADLP C[N@@H+]1CC[C@@H](CNC(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)C1 ZINC001221254666 825162159 /nfs/dbraw/zinc/16/21/59/825162159.db2.gz RYYPHLHJDMAVQF-DMDPSCGWSA-N 3 2 252.362 -0.994 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NC[C@]1(CC2CC2)CCC[NH2+]1 ZINC001221250617 825162436 /nfs/dbraw/zinc/16/24/36/825162436.db2.gz RFDHZAHMRNAABE-SGMGOOAPSA-N 3 2 266.389 -0.428 20 0 CBADLP COC(=O)[C@H](CCc1cn(C)c[nH+]1)NC(=O)[C@@H](C)C[NH3+] ZINC001221257038 825164349 /nfs/dbraw/zinc/16/43/49/825164349.db2.gz VUCUXACTBAOSAJ-ONGXEEELSA-N 2 2 282.344 -0.395 20 0 CBADLP [NH3+]C1(C(=O)NCc2ccc3c(c2)CC(=O)N3)CC[NH2+]CC1 ZINC001221298722 825168278 /nfs/dbraw/zinc/16/82/78/825168278.db2.gz ZKAGKHGTYAHYPQ-UHFFFAOYSA-N 2 2 288.351 -0.122 20 0 CBADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)NC2=CCOC2=O)cc1 ZINC001221329536 825172570 /nfs/dbraw/zinc/17/25/70/825172570.db2.gz RHMLXQQTJNVVFQ-SNVBAGLBSA-N 2 2 261.281 -0.184 20 0 CBADLP NC1=CC=C(C2CCN(C(=O)C3(F)C[NH2+]C3)CC2)[NH2+]C1 ZINC001221391183 825180128 /nfs/dbraw/zinc/18/01/28/825180128.db2.gz KMNAUBMFHDIZSB-UHFFFAOYSA-N 2 2 280.347 -0.134 20 0 CBADLP [NH3+]CC[C@H]([NH3+])C(=O)NCCCC(=O)c1cccnc1 ZINC001221393713 825181282 /nfs/dbraw/zinc/18/12/82/825181282.db2.gz BBLLSYSGDZDYFS-NSHDSACASA-N 2 2 264.329 -0.163 20 0 CBADLP C[C@@]1(NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)CCCOC1 ZINC001221402596 825182442 /nfs/dbraw/zinc/18/24/42/825182442.db2.gz JCDOVUMXAXNRPS-ZYHUDNBSSA-N 2 2 252.318 -0.035 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC001221399139 825182512 /nfs/dbraw/zinc/18/25/12/825182512.db2.gz MISKLZSROFZCPY-RDBSUJKOSA-N 3 2 274.368 -0.494 20 0 CBADLP CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)[C@H](C)C1 ZINC001221405895 825183968 /nfs/dbraw/zinc/18/39/68/825183968.db2.gz CKYDREAEFBBDMV-LPWJVIDDSA-N 3 2 268.405 -0.089 20 0 CBADLP CC(C)[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)[C@H](C)C1 ZINC001221405895 825183972 /nfs/dbraw/zinc/18/39/72/825183972.db2.gz CKYDREAEFBBDMV-LPWJVIDDSA-N 3 2 268.405 -0.089 20 0 CBADLP COc1cccc([C@H](C[NH3+])NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])c1 ZINC001221405721 825184378 /nfs/dbraw/zinc/18/43/78/825184378.db2.gz VTSDKZLHRMTHSM-AVGNSLFASA-N 3 2 278.356 -0.642 20 0 CBADLP COC(=O)[C@@H]([NH3+])CC(=O)N[C@@H](C1CCC1)C1C[NH2+]C1 ZINC001221411228 825185528 /nfs/dbraw/zinc/18/55/28/825185528.db2.gz UVUCZTXLBBFDEN-JQWIXIFHSA-N 2 2 269.345 -0.619 20 0 CBADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C1CCC1)C1C[NH2+]C1 ZINC001221411869 825187877 /nfs/dbraw/zinc/18/78/77/825187877.db2.gz YHLRHSLWWABMMY-OLZOCXBDSA-N 3 2 277.372 -0.216 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221788299 825194013 /nfs/dbraw/zinc/19/40/13/825194013.db2.gz NHEYBFVOEYSSAQ-VXGBXAGGSA-N 2 2 282.388 -0.783 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221788299 825194018 /nfs/dbraw/zinc/19/40/18/825194018.db2.gz NHEYBFVOEYSSAQ-VXGBXAGGSA-N 2 2 282.388 -0.783 20 0 CBADLP Cn1cc(C[N@@H+]2CCC[C@@]23CCC[NH2+]C3)c(=O)n(C)c1=O ZINC001222250005 825205796 /nfs/dbraw/zinc/20/57/96/825205796.db2.gz YRUGFWMWCRQVJL-OAHLLOKOSA-N 2 2 292.383 -0.198 20 0 CBADLP Cn1cc(C[N@H+]2CCC[C@@]23CCC[NH2+]C3)c(=O)n(C)c1=O ZINC001222250005 825205802 /nfs/dbraw/zinc/20/58/02/825205802.db2.gz YRUGFWMWCRQVJL-OAHLLOKOSA-N 2 2 292.383 -0.198 20 0 CBADLP C(CN1CC[NH2+][C@H]2CC[NH2+]CC[C@@H]21)[C@@H]1C[NH2+]CCO1 ZINC001222491543 825212839 /nfs/dbraw/zinc/21/28/39/825212839.db2.gz DPLXAPTUDUKJJV-RDBSUJKOSA-N 3 2 268.405 -0.609 20 0 CBADLP c1nc2n(c1CN1CC[NH2+][C@H]3CC[NH2+]CC[C@@H]31)CC[NH2+]C2 ZINC001222515516 825214902 /nfs/dbraw/zinc/21/49/02/825214902.db2.gz UDWUZXRUEMCOPL-KBPBESRZSA-N 3 2 290.415 -0.488 20 0 CBADLP NC(=O)C[NH+]1CCC(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001225658548 825259031 /nfs/dbraw/zinc/25/90/31/825259031.db2.gz HDFNVHDHPLLPCV-UHFFFAOYSA-N 2 2 279.344 -0.803 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)NC1CC[NH+](CCO)CC1 ZINC001230170972 825342734 /nfs/dbraw/zinc/34/27/34/825342734.db2.gz RVSRANNZUNZDJQ-UHFFFAOYSA-N 2 2 280.372 -0.074 20 0 CBADLP CC(C)(CN1CCN[C@]2(CC[NH2+]C2)C1)[NH+]1CCOCC1 ZINC001235055603 825485508 /nfs/dbraw/zinc/48/55/08/825485508.db2.gz TXAUFBTZEVBGRF-HNNXBMFYSA-N 2 2 282.432 -0.266 20 0 CBADLP C[C@@H]([NH3+])C[NH+]1CCC(C(=O)N2CC[NH2+]CC2)CC1 ZINC001235298536 825491853 /nfs/dbraw/zinc/49/18/53/825491853.db2.gz HDTFBNWCBPDWPQ-LLVKDONJSA-N 3 2 254.378 -0.523 20 0 CBADLP COC(=O)[C@@H]1C[N@H+](CC[C@@H]2CCCC[NH2+]2)CCN1 ZINC001235444201 825495565 /nfs/dbraw/zinc/49/55/65/825495565.db2.gz NUSMXVJVSIGBJX-RYUDHWBXSA-N 2 2 255.362 -0.035 20 0 CBADLP COC(=O)[C@@H]1C[N@@H+](CC[C@@H]2CCCC[NH2+]2)CCN1 ZINC001235444201 825495570 /nfs/dbraw/zinc/49/55/70/825495570.db2.gz NUSMXVJVSIGBJX-RYUDHWBXSA-N 2 2 255.362 -0.035 20 0 CBADLP CNC(=O)CO[C@@H]1COC2(C1)CC[NH+](C[C@@H](C)[NH3+])CC2 ZINC001235485874 825497591 /nfs/dbraw/zinc/49/75/91/825497591.db2.gz ZVRNQUKVEKOJJR-NEPJUHHUSA-N 2 2 285.388 -0.280 20 0 CBADLP CNC(=O)CO[C@H]1COC2(C1)CC[NH+](C[C@H](C)[NH3+])CC2 ZINC001235485885 825498020 /nfs/dbraw/zinc/49/80/20/825498020.db2.gz ZVRNQUKVEKOJJR-NWDGAFQWSA-N 2 2 285.388 -0.280 20 0 CBADLP CNC(=O)CO[C@@H]1CO[C@]2(C1)CCC[N@H+](C[C@H](C)[NH3+])C2 ZINC001235517680 825500042 /nfs/dbraw/zinc/50/00/42/825500042.db2.gz PYZGWJBDFDOYOX-OBJOEFQTSA-N 2 2 285.388 -0.280 20 0 CBADLP CNC(=O)CO[C@@H]1CO[C@]2(C1)CCC[N@@H+](C[C@H](C)[NH3+])C2 ZINC001235517680 825500045 /nfs/dbraw/zinc/50/00/45/825500045.db2.gz PYZGWJBDFDOYOX-OBJOEFQTSA-N 2 2 285.388 -0.280 20 0 CBADLP OCc1ncn2c1C[N@H+](CC[C@H]1C[NH2+]CCO1)CC2 ZINC001235504412 825500055 /nfs/dbraw/zinc/50/00/55/825500055.db2.gz NBZZNNASJKOVFS-NSHDSACASA-N 2 2 266.345 -0.431 20 0 CBADLP OCc1ncn2c1C[N@@H+](CC[C@H]1C[NH2+]CCO1)CC2 ZINC001235504412 825500058 /nfs/dbraw/zinc/50/00/58/825500058.db2.gz NBZZNNASJKOVFS-NSHDSACASA-N 2 2 266.345 -0.431 20 0 CBADLP [NH3+]CC[N@@H+]1C[C@@H]2COC[C@]2(COCC(=O)N2CCCC2)C1 ZINC001235588915 825505457 /nfs/dbraw/zinc/50/54/57/825505457.db2.gz MKQXSQQZFKDROS-HIFRSBDPSA-N 2 2 297.399 -0.468 20 0 CBADLP [NH3+]CC[N@H+]1C[C@@H]2COC[C@]2(COCC(=O)N2CCCC2)C1 ZINC001235588915 825505461 /nfs/dbraw/zinc/50/54/61/825505461.db2.gz MKQXSQQZFKDROS-HIFRSBDPSA-N 2 2 297.399 -0.468 20 0 CBADLP CS(=O)(=O)N1CCC(C[N@@H+]2C[C@@H]3C[C@]3([NH3+])C2)CC1 ZINC001236013780 825519611 /nfs/dbraw/zinc/51/96/11/825519611.db2.gz BVXQAONXYYGSOF-RYUDHWBXSA-N 2 2 273.402 -0.309 20 0 CBADLP CS(=O)(=O)N1CCC(C[N@H+]2C[C@@H]3C[C@]3([NH3+])C2)CC1 ZINC001236013780 825519615 /nfs/dbraw/zinc/51/96/15/825519615.db2.gz BVXQAONXYYGSOF-RYUDHWBXSA-N 2 2 273.402 -0.309 20 0 CBADLP COC(=O)[C@@H]1C[N@H+](CCC23CC([NH3+])(C2)C3)C[C@H]1[NH3+] ZINC001236343229 825528638 /nfs/dbraw/zinc/52/86/38/825528638.db2.gz OYHGDFCTJZEXRQ-ITSCGTHASA-N 3 2 253.346 -0.310 20 0 CBADLP COC(=O)[C@@H]1C[N@@H+](CCC23CC([NH3+])(C2)C3)C[C@H]1[NH3+] ZINC001236343229 825528647 /nfs/dbraw/zinc/52/86/47/825528647.db2.gz OYHGDFCTJZEXRQ-ITSCGTHASA-N 3 2 253.346 -0.310 20 0 CBADLP [NH3+]CCS(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C1 ZINC001238806836 825565293 /nfs/dbraw/zinc/56/52/93/825565293.db2.gz ADCMLCPPTNTWHC-GFCCVEGCSA-N 2 2 284.385 -0.466 20 0 CBADLP [NH3+]CCS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C1 ZINC001238806836 825565296 /nfs/dbraw/zinc/56/52/96/825565296.db2.gz ADCMLCPPTNTWHC-GFCCVEGCSA-N 2 2 284.385 -0.466 20 0 CBADLP [NH3+]CCS(=O)(=O)NCc1c[nH+]cn1CCF ZINC001238877335 825567478 /nfs/dbraw/zinc/56/74/78/825567478.db2.gz QEJNBOFEBUQMOL-UHFFFAOYSA-N 2 2 250.299 -0.769 20 0 CBADLP CC(C)(C)[C@H](C[NH+]1CCOCC1)NS(=O)(=O)CC[NH3+] ZINC001238898849 825570065 /nfs/dbraw/zinc/57/00/65/825570065.db2.gz CKYJYLJZPFVJGA-NSHDSACASA-N 2 2 293.433 -0.389 20 0 CBADLP C[N@@H+]1C[C@@H]2C[C@H]1CN2S(=O)(=O)CC1CC[NH2+]CC1 ZINC001239099149 825588083 /nfs/dbraw/zinc/58/80/83/825588083.db2.gz LHTOYBOZPXKGCH-RYUDHWBXSA-N 2 2 273.402 -0.296 20 0 CBADLP C[N@H+]1C[C@@H]2C[C@H]1CN2S(=O)(=O)CC1CC[NH2+]CC1 ZINC001239099149 825588089 /nfs/dbraw/zinc/58/80/89/825588089.db2.gz LHTOYBOZPXKGCH-RYUDHWBXSA-N 2 2 273.402 -0.296 20 0 CBADLP [NH3+]CCS(=O)(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC001239111220 825590101 /nfs/dbraw/zinc/59/01/01/825590101.db2.gz MHTGXJNVBJHYAA-NSHDSACASA-N 2 2 271.342 -0.177 20 0 CBADLP O[C@H](C[NH2+][C@@H]1C[NH2+]CC12CC2)CC1(O)CC[NH2+]CC1 ZINC001245988396 825617458 /nfs/dbraw/zinc/61/74/58/825617458.db2.gz VSAHDORYIYRZRN-NWDGAFQWSA-N 3 2 269.389 -0.807 20 0 CBADLP O[C@H](C[NH2+][C@H]1CCCC[NH2+]C1)CC1(O)CC[NH2+]CC1 ZINC001245986959 825617753 /nfs/dbraw/zinc/61/77/53/825617753.db2.gz AHMFHMCMFRCNAN-STQMWFEESA-N 3 2 271.405 -0.416 20 0 CBADLP C[C@@H]1CC[C@H](C[NH2+]C[C@H](O)CC2(O)CC[NH2+]CC2)[NH2+]C1 ZINC001245990548 825617987 /nfs/dbraw/zinc/61/79/87/825617987.db2.gz JGNMXLVRWHDPFI-MGPQQGTHSA-N 3 2 285.432 -0.170 20 0 CBADLP O[C@H](CN[C@@H]1C[NH2+]CC12CC2)C[NH+]1CCOCC1 ZINC001245988313 825618070 /nfs/dbraw/zinc/61/80/70/825618070.db2.gz VDWHLKXNEPSDNI-VXGBXAGGSA-N 2 2 255.362 -0.979 20 0 CBADLP CCCOC[C@@H](O)C[NH2+][C@@H](C(=O)OC)C1CC[NH2+]CC1 ZINC001245999548 825619600 /nfs/dbraw/zinc/61/96/00/825619600.db2.gz AKFKJQVSNFFVJA-QWHCGFSZSA-N 2 2 288.388 -0.095 20 0 CBADLP Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@H]1C[NH2+]CCN1 ZINC001246017788 825621976 /nfs/dbraw/zinc/62/19/76/825621976.db2.gz ZQWPIJKGCKONRU-KGLIPLIRSA-N 2 2 279.384 -0.114 20 0 CBADLP [NH3+]C[C@@]1(F)CCCC[N@H+](C[C@H](O)CN2CCOCC2)C1 ZINC001246020982 825624618 /nfs/dbraw/zinc/62/46/18/825624618.db2.gz KRYOCPJXJAFAQT-KGLIPLIRSA-N 2 2 289.395 -0.168 20 0 CBADLP [NH3+]C[C@@]1(F)CCCC[N@@H+](C[C@H](O)CN2CCOCC2)C1 ZINC001246020982 825624621 /nfs/dbraw/zinc/62/46/21/825624621.db2.gz KRYOCPJXJAFAQT-KGLIPLIRSA-N 2 2 289.395 -0.168 20 0 CBADLP CC(C)(C)OC[C@H](O)C[N@@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246027128 825625316 /nfs/dbraw/zinc/62/53/16/825625316.db2.gz PAZGVZCHACCZKX-OCCSQVGLSA-N 2 2 271.405 -0.200 20 0 CBADLP CC(C)(C)OC[C@H](O)C[N@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246027128 825625324 /nfs/dbraw/zinc/62/53/24/825625324.db2.gz PAZGVZCHACCZKX-OCCSQVGLSA-N 2 2 271.405 -0.200 20 0 CBADLP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1C[C@H](O)CC1(O)CC[NH2+]CC1 ZINC001246025698 825625758 /nfs/dbraw/zinc/62/57/58/825625758.db2.gz ZHQWYKUVDDXTPG-IJLUTSLNSA-N 3 2 257.378 -0.727 20 0 CBADLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1C[C@H](O)CC1(O)CC[NH2+]CC1 ZINC001246025698 825625763 /nfs/dbraw/zinc/62/57/63/825625763.db2.gz ZHQWYKUVDDXTPG-IJLUTSLNSA-N 3 2 257.378 -0.727 20 0 CBADLP [NH3+][C@@]12C[C@@H]1CCN(C[C@H](O)C[NH+]1CCOCC1)C2 ZINC001246032125 825627586 /nfs/dbraw/zinc/62/75/86/825627586.db2.gz KZUMHVPICUSKAZ-YNEHKIRRSA-N 2 2 255.362 -0.897 20 0 CBADLP O[C@H](CN1CC[C@H]2[NH2+]CC[C@H]21)C[NH+]1CCOCC1 ZINC001246028903 825627670 /nfs/dbraw/zinc/62/76/70/825627670.db2.gz UOWWTCHXYIKNTG-YNEHKIRRSA-N 2 2 255.362 -0.884 20 0 CBADLP [NH3+][C@@H]1CN(C[C@H](O)C[NH+]2CCOCC2)CC(F)(F)C1 ZINC001246028472 825627979 /nfs/dbraw/zinc/62/79/79/825627979.db2.gz JWZVVHLZHSUOOT-WDEREUQCSA-N 2 2 279.331 -0.652 20 0 CBADLP CC1(C[NH3+])C[NH+](C[C@H](O)CC2(O)CC[NH2+]CC2)C1 ZINC001246036304 825629330 /nfs/dbraw/zinc/62/93/30/825629330.db2.gz SLSNRGNGVQTUHK-LLVKDONJSA-N 3 2 257.378 -0.868 20 0 CBADLP O[C@H](CN1CCOCC1)C[N@@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001246034514 825629452 /nfs/dbraw/zinc/62/94/52/825629452.db2.gz XGKAYKPLBXGTHK-HUUCEWRRSA-N 2 2 283.416 -0.103 20 0 CBADLP O[C@H](CN1CCOCC1)C[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001246034514 825629454 /nfs/dbraw/zinc/62/94/54/825629454.db2.gz XGKAYKPLBXGTHK-HUUCEWRRSA-N 2 2 283.416 -0.103 20 0 CBADLP CC[C@H]([NH3+])C[N@H+](C)C[C@H](O)CC1(O)CC[NH2+]CC1 ZINC001246058338 825630310 /nfs/dbraw/zinc/63/03/10/825630310.db2.gz KCQUICVIXYVWCI-NWDGAFQWSA-N 3 2 259.394 -0.479 20 0 CBADLP CC[C@H]([NH3+])C[N@@H+](C)C[C@H](O)CC1(O)CC[NH2+]CC1 ZINC001246058338 825630313 /nfs/dbraw/zinc/63/03/13/825630313.db2.gz KCQUICVIXYVWCI-NWDGAFQWSA-N 3 2 259.394 -0.479 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](N[C@@]2(C(F)(F)F)CC[NH2+]C2)C[NH2+]1 ZINC001246079789 825633766 /nfs/dbraw/zinc/63/37/66/825633766.db2.gz FDWKTNOFWGYFCM-WEDXCCLWSA-N 2 2 281.278 -0.226 20 0 CBADLP CS(=O)(=O)N1CCC([NH2+][C@H]2CC[NH2+]C[C@H]2F)CC1 ZINC001246086472 825634789 /nfs/dbraw/zinc/63/47/89/825634789.db2.gz LOFGMCBHFJPPNX-MNOVXSKESA-N 2 2 279.381 -0.300 20 0 CBADLP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@@H]2C[NH2+]CCC2(F)F)CN1 ZINC001246086119 825635066 /nfs/dbraw/zinc/63/50/66/825635066.db2.gz BVTSKXBHEKFMLM-GUBZILKMSA-N 2 2 277.315 -0.276 20 0 CBADLP COC(=O)[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[NH2+]CCC2(F)F)CN1 ZINC001246086098 825635150 /nfs/dbraw/zinc/63/51/50/825635150.db2.gz BVTSKXBHEKFMLM-AEJSXWLSSA-N 2 2 277.315 -0.276 20 0 CBADLP CS(=O)(=O)N1CCC([NH2+][C@@H]2CC[NH2+]C[C@@H]2F)CC1 ZINC001246086476 825635334 /nfs/dbraw/zinc/63/53/34/825635334.db2.gz LOFGMCBHFJPPNX-WDEREUQCSA-N 2 2 279.381 -0.300 20 0 CBADLP C[C@H]1CC[C@H]([NH2+]CCC(=O)N2CC[NH2+]CC2)C[NH2+]1 ZINC001246107205 825636427 /nfs/dbraw/zinc/63/64/27/825636427.db2.gz GTLNXINTYJWILF-RYUDHWBXSA-N 3 2 254.378 -0.462 20 0 CBADLP CC[C@]1(C(=O)OC)C[C@H](N[C@@H]2CC[NH2+]C[C@@H]2F)C[NH2+]1 ZINC001246099587 825636655 /nfs/dbraw/zinc/63/66/55/825636655.db2.gz ROFLXSMPTHRFQX-MEWQQHAOSA-N 2 2 273.352 -0.040 20 0 CBADLP COC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CCOC23C[NH2+]C3)CN1 ZINC001246122706 825637271 /nfs/dbraw/zinc/63/72/71/825637271.db2.gz BYJWMJKQTGCUDA-DCAQKATOSA-N 2 2 269.345 -1.000 20 0 CBADLP C[C@@H](CC(=O)N1CCOCC1)[NH2+][C@@H]1C[NH2+]CC12CC2 ZINC001246127984 825637344 /nfs/dbraw/zinc/63/73/44/825637344.db2.gz DIWPNYJRSXPHRM-NWDGAFQWSA-N 2 2 267.373 -0.035 20 0 CBADLP COC(=O)[C@@H]1C[C@H](NC[C@H]2CC[C@@H](C)C[NH2+]2)C[NH2+]1 ZINC001246116010 825638192 /nfs/dbraw/zinc/63/81/92/825638192.db2.gz UFYMNQHYDZBFLZ-WYUUTHIRSA-N 2 2 255.362 -0.132 20 0 CBADLP COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2C[NH2+]CC23CC3)CN1 ZINC001246131465 825638693 /nfs/dbraw/zinc/63/86/93/825638693.db2.gz KENYBFSRVJUJLH-GARJFASQSA-N 2 2 253.346 -0.378 20 0 CBADLP COC(=O)[C@@H]1C[C@H]([NH2+][C@@H]2C[NH2+]CC23CC3)CCN1 ZINC001246134543 825638758 /nfs/dbraw/zinc/63/87/58/825638758.db2.gz REQXNVUFTLEJCJ-OUAUKWLOSA-N 2 2 253.346 -0.378 20 0 CBADLP COC(=O)[C@@H]1C[C@H]([NH2+][C@H]2C[NH2+]CC23CC3)CCN1 ZINC001246134546 825639526 /nfs/dbraw/zinc/63/95/26/825639526.db2.gz REQXNVUFTLEJCJ-VWYCJHECSA-N 2 2 253.346 -0.378 20 0 CBADLP F[C@]1(C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CCC[NH2+]C1 ZINC001246180152 825646234 /nfs/dbraw/zinc/64/62/34/825646234.db2.gz PZQIJEBNDSWYIC-VXGBXAGGSA-N 3 2 256.369 -0.238 20 0 CBADLP COC(=O)[C@@H]1CC[C@H](n2cc[nH+]c2CC[NH3+])CN1 ZINC001246191297 825648457 /nfs/dbraw/zinc/64/84/57/825648457.db2.gz PXLOUYDEQBKIMN-UWVGGRQHSA-N 2 2 252.318 -0.150 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CC[C@H]1N[C@@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001246199480 825650029 /nfs/dbraw/zinc/65/00/29/825650029.db2.gz KJWWIBZQFCIGNA-QCNOEVLYSA-N 2 2 299.371 -0.979 20 0 CBADLP C[C@@H]1CC[C@H]([NH2+]CCNC(=O)N2CCOCC2)C[NH2+]1 ZINC001246209432 825651166 /nfs/dbraw/zinc/65/11/66/825651166.db2.gz HZUDTUXXPZGDCQ-NEPJUHHUSA-N 2 2 270.377 -0.242 20 0 CBADLP COC(=O)[C@@H](CCCC[NH3+])[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246239834 825655676 /nfs/dbraw/zinc/65/56/76/825655676.db2.gz KIXVWGXBWGQXOP-VXGBXAGGSA-N 3 2 284.404 -0.659 20 0 CBADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2C[NH2+]C[C@@H]2CO)CO1 ZINC001246303418 825662201 /nfs/dbraw/zinc/66/22/01/825662201.db2.gz FORFXFIYLKQDCD-RHYQMDGZSA-N 2 2 272.345 -0.733 20 0 CBADLP O=C1C[C@H]([NH2+][C@@H]2C[NH2+]C[C@@H]2CO)CCN1C1CC1 ZINC001246312676 825663063 /nfs/dbraw/zinc/66/30/63/825663063.db2.gz YNNMSVHJPUIKCX-CKYFFXLPSA-N 2 2 253.346 -0.690 20 0 CBADLP COC(=O)[C@@H](N[C@@H]1C[NH2+][C@H](C(=O)OC)C1)C1CC[NH2+]CC1 ZINC001246325546 825664599 /nfs/dbraw/zinc/66/45/99/825664599.db2.gz BVHGTADJEDOQBF-SRVKXCTJSA-N 2 2 299.371 -0.979 20 0 CBADLP COC(=O)[C@@H]1CC[C@@H]([NH2+][C@H]2C[NH2+]CC[C@@H]2C)CN1 ZINC001246331224 825665851 /nfs/dbraw/zinc/66/58/51/825665851.db2.gz MSVVHBXSMNYADC-USZNOCQGSA-N 2 2 255.362 -0.132 20 0 CBADLP CCOC(=O)C1(N[C@H]2C[NH2+][C@@](CC)(C(=O)OC)C2)C[NH2+]C1 ZINC001246344997 825667016 /nfs/dbraw/zinc/66/70/16/825667016.db2.gz LSYSVVSQYAYMGX-ZWNOBZJWSA-N 2 2 299.371 -0.835 20 0 CBADLP C[C@@H](CC(=O)N1CCOCC1)[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246345374 825667240 /nfs/dbraw/zinc/66/72/40/825667240.db2.gz AJEUMARLQJDCMI-NWDGAFQWSA-N 2 2 255.362 -0.035 20 0 CBADLP CCOC(=O)C1(N[C@@H]2C[NH2+][C@@](CC)(C(=O)OC)C2)C[NH2+]C1 ZINC001246344995 825667274 /nfs/dbraw/zinc/66/72/74/825667274.db2.gz LSYSVVSQYAYMGX-GXFFZTMASA-N 2 2 299.371 -0.835 20 0 CBADLP C[C@H]1CC[C@@H]([NH2+]CCOCCN2C(=O)C=CC2=O)C[NH2+]1 ZINC001246356661 825669186 /nfs/dbraw/zinc/66/91/86/825669186.db2.gz ONRYMFLGTMJLQS-NWDGAFQWSA-N 2 2 281.356 -0.342 20 0 CBADLP CCN1CC[C@@H]([NH2+][C@@H](CCC[NH3+])C(=O)OC)CC1=O ZINC001246401094 825670642 /nfs/dbraw/zinc/67/06/42/825670642.db2.gz JULWYIMYNUMMOB-MNOVXSKESA-N 2 2 271.361 -0.133 20 0 CBADLP CCN1CC[C@H]([NH2+][C@@H](CCC[NH3+])C(=O)OC)CC1=O ZINC001246401095 825670680 /nfs/dbraw/zinc/67/06/80/825670680.db2.gz JULWYIMYNUMMOB-QWRGUYRKSA-N 2 2 271.361 -0.133 20 0 CBADLP CC(C)[C@H](NC(=O)[C@H](C)[NH2+][C@@H]1CC[NH2+][C@H](C)C1)C(N)=O ZINC001246484006 825676319 /nfs/dbraw/zinc/67/63/19/825676319.db2.gz WTUQEWJYQIFFDS-KXNHARMFSA-N 2 2 284.404 -0.269 20 0 CBADLP CC(C)[C@H](NC(=O)[C@H](C)[NH2+][C@H]1CC[NH2+][C@@H](C)C1)C(N)=O ZINC001246484004 825676371 /nfs/dbraw/zinc/67/63/71/825676371.db2.gz WTUQEWJYQIFFDS-BJDJZHNGSA-N 2 2 284.404 -0.269 20 0 CBADLP COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2C[NH2+]C[C@@H]3C[C@@H]32)CN1 ZINC001246505764 825678779 /nfs/dbraw/zinc/67/87/79/825678779.db2.gz WSWVKNCYHLGYSW-UHFZAUJKSA-N 2 2 253.346 -0.523 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](N(C)C2CC[NH+](C)CC2)C[NH2+]1 ZINC001246518971 825680253 /nfs/dbraw/zinc/68/02/53/825680253.db2.gz JVNSJNOTZYROMN-NEPJUHHUSA-N 2 2 255.362 -0.084 20 0 CBADLP CCOC(=O)c1cn([C@@H]2C[NH2+][C@H](C(=O)OC)C2)nc1C[NH3+] ZINC001246533887 825681802 /nfs/dbraw/zinc/68/18/02/825681802.db2.gz XBDJDZDIEPNTHD-WPRPVWTQSA-N 2 2 296.327 -0.406 20 0 CBADLP COC(=O)[C@@H]1C[C@H]([N@@H+]2CCC[C@H](C[NH3+])[C@@H]2C)CN1 ZINC001246567333 825688235 /nfs/dbraw/zinc/68/82/35/825688235.db2.gz XISZLVPKJCOVPS-USZNOCQGSA-N 2 2 255.362 -0.051 20 0 CBADLP COC(=O)[C@@H]1C[C@H]([N@H+]2CCC[C@H](C[NH3+])[C@@H]2C)CN1 ZINC001246567333 825688236 /nfs/dbraw/zinc/68/82/36/825688236.db2.gz XISZLVPKJCOVPS-USZNOCQGSA-N 2 2 255.362 -0.051 20 0 CBADLP COC(=O)[C@@H]1CC[C@H]([N@@H+]2CC[NH2+]C[C@@H](C)C2)CN1 ZINC001246576031 825688863 /nfs/dbraw/zinc/68/88/63/825688863.db2.gz YKKQKCGWVKCQEA-WOPDTQHZSA-N 2 2 255.362 -0.179 20 0 CBADLP COC(=O)[C@@H]1CC[C@H]([N@H+]2CC[NH2+]C[C@@H](C)C2)CN1 ZINC001246576031 825688866 /nfs/dbraw/zinc/68/88/66/825688866.db2.gz YKKQKCGWVKCQEA-WOPDTQHZSA-N 2 2 255.362 -0.179 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](F)C[N@@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246605902 825694014 /nfs/dbraw/zinc/69/40/14/825694014.db2.gz RTJYFYZTHQWZIP-VWYCJHECSA-N 2 2 271.336 -0.334 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](F)C[N@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246605902 825694018 /nfs/dbraw/zinc/69/40/18/825694018.db2.gz RTJYFYZTHQWZIP-VWYCJHECSA-N 2 2 271.336 -0.334 20 0 CBADLP C1CN(C2C[C@@H]3COC[C@H](C2)[NH2+]3)[C@H]2CC[NH2+]CC[C@@H]2[NH2+]1 ZINC001246618631 825695759 /nfs/dbraw/zinc/69/57/59/825695759.db2.gz NBSXOFRVZQKZBW-AWQNUYMJSA-N 3 2 280.416 -0.468 20 0 CBADLP CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)CO1 ZINC001246638145 825699778 /nfs/dbraw/zinc/69/97/78/825699778.db2.gz BNPYNSOLDZNLTE-YDHLFZDLSA-N 2 2 297.399 -0.266 20 0 CBADLP CCOC(=O)[C@@H]1CC[C@H]([N@H+]2CCN[C@]3(CC[NH2+]C3)C2)CO1 ZINC001246638145 825699783 /nfs/dbraw/zinc/69/97/83/825699783.db2.gz BNPYNSOLDZNLTE-YDHLFZDLSA-N 2 2 297.399 -0.266 20 0 CBADLP COC(=O)[C@@H]1C[C@H](N2C[C@H](C)[N@H+](C)C[C@H]2C)C[NH2+]1 ZINC001246691823 825706864 /nfs/dbraw/zinc/70/68/64/825706864.db2.gz RLOOLVPDQFDETM-USZNOCQGSA-N 2 2 255.362 -0.086 20 0 CBADLP COC(=O)[C@@H]1C[C@H](N2C[C@H](C)[N@@H+](C)C[C@H]2C)C[NH2+]1 ZINC001246691823 825706870 /nfs/dbraw/zinc/70/68/70/825706870.db2.gz RLOOLVPDQFDETM-USZNOCQGSA-N 2 2 255.362 -0.086 20 0 CBADLP COCc1nn([C@@H]2CC[NH2+]C3(CNC3)C2)c2c1C[NH2+]C2 ZINC001246712151 825707580 /nfs/dbraw/zinc/70/75/80/825707580.db2.gz FEXZFKFTCDGMCB-SNVBAGLBSA-N 2 2 277.372 -0.101 20 0 CBADLP COC(=O)[C@@H]1C[C@H](N2CC([N@H+](C)[C@@H]3CCOC3)C2)C[NH2+]1 ZINC001246819792 825716307 /nfs/dbraw/zinc/71/63/07/825716307.db2.gz JSLAAOIWDRGQCF-MDZLAQPJSA-N 2 2 283.372 -0.705 20 0 CBADLP COC(=O)[C@@H]1C[C@H](N2CC([N@@H+](C)[C@@H]3CCOC3)C2)C[NH2+]1 ZINC001246819792 825716311 /nfs/dbraw/zinc/71/63/11/825716311.db2.gz JSLAAOIWDRGQCF-MDZLAQPJSA-N 2 2 283.372 -0.705 20 0 CBADLP COC(=O)[C@H]1C[N@@H+]([C@H]2CC[NH2+][C@H](C)C2)CCN1C ZINC001246871393 825727126 /nfs/dbraw/zinc/72/71/26/825727126.db2.gz ZIBSHUOOTSETSW-GRYCIOLGSA-N 2 2 255.362 -0.084 20 0 CBADLP COC(=O)[C@H]1C[N@H+]([C@H]2CC[NH2+][C@H](C)C2)CCN1C ZINC001246871393 825727130 /nfs/dbraw/zinc/72/71/30/825727130.db2.gz ZIBSHUOOTSETSW-GRYCIOLGSA-N 2 2 255.362 -0.084 20 0 CBADLP COC(=O)[C@@H]1C[N@@H+]([C@H]2CC[NH2+][C@H](C)C2)CCN1C ZINC001246871450 825727908 /nfs/dbraw/zinc/72/79/08/825727908.db2.gz ZIBSHUOOTSETSW-WOPDTQHZSA-N 2 2 255.362 -0.084 20 0 CBADLP COC(=O)[C@@H]1C[N@H+]([C@H]2CC[NH2+][C@H](C)C2)CCN1C ZINC001246871450 825727914 /nfs/dbraw/zinc/72/79/14/825727914.db2.gz ZIBSHUOOTSETSW-WOPDTQHZSA-N 2 2 255.362 -0.084 20 0 CBADLP COC(=O)[C@@H]1C[C@H](N2CCC3(C[NH+](C)C3)C2)C[NH2+]1 ZINC001246901163 825728935 /nfs/dbraw/zinc/72/89/35/825728935.db2.gz ZOKBKAHUHQYFHT-QWRGUYRKSA-N 2 2 253.346 -0.473 20 0 CBADLP COC(=O)[C@H]1C[N@@H+](C2C[C@@H]3C=C[C@H](C2)O3)C[C@H]1[NH3+] ZINC001246931849 825734466 /nfs/dbraw/zinc/73/44/66/825734466.db2.gz FJTUHQOBJTVOBB-OLSMOAAXSA-N 2 2 252.314 -0.096 20 0 CBADLP COC(=O)[C@H]1C[N@H+](C2C[C@@H]3C=C[C@H](C2)O3)C[C@H]1[NH3+] ZINC001246931849 825734469 /nfs/dbraw/zinc/73/44/69/825734469.db2.gz FJTUHQOBJTVOBB-OLSMOAAXSA-N 2 2 252.314 -0.096 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](N2CC[NH+](CCC(C)(C)O)CC2)C[NH2+]1 ZINC001246942468 825735992 /nfs/dbraw/zinc/73/59/92/825735992.db2.gz OTVSDYWGDPIZAN-OLZOCXBDSA-N 2 2 299.415 -0.332 20 0 CBADLP CC[NH+]1C[C@@H]2C[NH+]([C@H]3CN[C@H](C(=O)OC)C3)C[C@H]2C1 ZINC001246980188 825737893 /nfs/dbraw/zinc/73/78/93/825737893.db2.gz PYBAABLTAIKNNE-LPWJVIDDSA-N 2 2 267.373 -0.227 20 0 CBADLP CC[N@H+]1C[C@@H]2C[NH+]([C@H]3CN[C@H](C(=O)OC)C3)C[C@@H]2C1 ZINC001246980191 825739912 /nfs/dbraw/zinc/73/99/12/825739912.db2.gz PYBAABLTAIKNNE-XQHKEYJVSA-N 2 2 267.373 -0.227 20 0 CBADLP CC[N@@H+]1C[C@@H]2C[NH+]([C@H]3CN[C@H](C(=O)OC)C3)C[C@@H]2C1 ZINC001246980191 825739914 /nfs/dbraw/zinc/73/99/14/825739914.db2.gz PYBAABLTAIKNNE-XQHKEYJVSA-N 2 2 267.373 -0.227 20 0 CBADLP CC[NH+]1C[C@@H]2C[N@H+]([C@H]3CN[C@H](C(=O)OC)C3)C[C@@H]2C1 ZINC001246980191 825739917 /nfs/dbraw/zinc/73/99/17/825739917.db2.gz PYBAABLTAIKNNE-XQHKEYJVSA-N 2 2 267.373 -0.227 20 0 CBADLP CC[NH+]1C[C@@H]2C[N@@H+]([C@H]3CN[C@H](C(=O)OC)C3)C[C@@H]2C1 ZINC001246980191 825739921 /nfs/dbraw/zinc/73/99/21/825739921.db2.gz PYBAABLTAIKNNE-XQHKEYJVSA-N 2 2 267.373 -0.227 20 0 CBADLP COC(=O)[C@@H]1C[C@H](N2CC[NH+](CC(C)(C)O)CC2)C[NH2+]1 ZINC001246997133 825741025 /nfs/dbraw/zinc/74/10/25/825741025.db2.gz KSFKABFXOFANRE-RYUDHWBXSA-N 2 2 285.388 -0.722 20 0 CBADLP [NH3+]C[C@H]([NH3+])Cc1nc(-c2ccc3c(n2)CC[NH2+]C3)no1 ZINC001249129569 825748281 /nfs/dbraw/zinc/74/82/81/825748281.db2.gz WYGGWGAICORNKE-SECBINFHSA-N 3 2 274.328 -0.394 20 0 CBADLP Cn1c[nH+]c(CCNC(=S)NCC[NH+](C)C)c1 ZINC001249843272 825749883 /nfs/dbraw/zinc/74/98/83/825749883.db2.gz AZMOHWFSXFXGIF-UHFFFAOYSA-N 2 2 255.391 -0.012 20 0 CBADLP OC[C@@H](O)C[N@@H+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001252059128 825821713 /nfs/dbraw/zinc/82/17/13/825821713.db2.gz QRRHPCFGQBTORE-GUTXKFCHSA-N 2 2 277.368 -0.202 20 0 CBADLP OC[C@@H](O)C[N@H+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001252059128 825821721 /nfs/dbraw/zinc/82/17/21/825821721.db2.gz QRRHPCFGQBTORE-GUTXKFCHSA-N 2 2 277.368 -0.202 20 0 CBADLP OC[C@@H](O)C[NH+]1C[C@H]2C[N@H+](Cc3ccccn3)C[C@H]2C1 ZINC001252059128 825821729 /nfs/dbraw/zinc/82/17/29/825821729.db2.gz QRRHPCFGQBTORE-GUTXKFCHSA-N 2 2 277.368 -0.202 20 0 CBADLP OC[C@@H](O)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccn3)C[C@H]2C1 ZINC001252059128 825821735 /nfs/dbraw/zinc/82/17/35/825821735.db2.gz QRRHPCFGQBTORE-GUTXKFCHSA-N 2 2 277.368 -0.202 20 0 CBADLP CC(C)OC[C@H](O)C[NH2+]C1(CO)CC[NH+](C)CC1 ZINC001252701820 825884550 /nfs/dbraw/zinc/88/45/50/825884550.db2.gz CUNJDBKMLXGVST-GFCCVEGCSA-N 2 2 260.378 -0.181 20 0 CBADLP C[NH+]1CCN(C(=[NH2+])NC[C@H](O)C(=O)OC(C)(C)C)CC1 ZINC001253703602 825927141 /nfs/dbraw/zinc/92/71/41/825927141.db2.gz KIIJZDNBEWICOC-JTQLQIEISA-N 2 2 286.376 -0.539 20 0 CBADLP CC[NH+](CC)C[C@@H](O)CN(C)CC[NH+]1CCOCC1 ZINC001253175000 825901179 /nfs/dbraw/zinc/90/11/79/825901179.db2.gz AJQBYVQXWJCHSS-AWEZNQCLSA-N 2 2 273.421 -0.047 20 0 CBADLP CC[NH+](CC)C[C@@H](O)C[N@H+](C)CCN1CCOCC1 ZINC001253175000 825901184 /nfs/dbraw/zinc/90/11/84/825901184.db2.gz AJQBYVQXWJCHSS-AWEZNQCLSA-N 2 2 273.421 -0.047 20 0 CBADLP CC[NH+](CC)C[C@@H](O)C[N@@H+](C)CCN1CCOCC1 ZINC001253175000 825901190 /nfs/dbraw/zinc/90/11/90/825901190.db2.gz AJQBYVQXWJCHSS-AWEZNQCLSA-N 2 2 273.421 -0.047 20 0 CBADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1CC[C@H](O)[C@@](C)(CO)C1 ZINC001253180395 825902816 /nfs/dbraw/zinc/90/28/16/825902816.db2.gz BRCBUFBKNNCSSR-MELADBBJSA-N 2 2 274.405 -0.246 20 0 CBADLP CC[NH+](CC)C[C@H](O)C[N@H+]1CC[C@H](O)[C@@](C)(CO)C1 ZINC001253180395 825902821 /nfs/dbraw/zinc/90/28/21/825902821.db2.gz BRCBUFBKNNCSSR-MELADBBJSA-N 2 2 274.405 -0.246 20 0 CBADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC001253180771 825902959 /nfs/dbraw/zinc/90/29/59/825902959.db2.gz JCXSRTAXHHFHFA-AVGNSLFASA-N 2 2 260.378 -0.636 20 0 CBADLP CC[NH+](CC)C[C@H](O)C[N@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC001253180771 825902960 /nfs/dbraw/zinc/90/29/60/825902960.db2.gz JCXSRTAXHHFHFA-AVGNSLFASA-N 2 2 260.378 -0.636 20 0 CBADLP CC[NH+](CC)C[C@@H](O)CNC(=[NH2+])N1CC[NH+](C)CC1 ZINC001253207360 825906008 /nfs/dbraw/zinc/90/60/08/825906008.db2.gz FOJUDCFDMJLLOX-LBPRGKRZSA-N 3 2 271.409 -0.539 20 0 CBADLP CC[NH+](CC)C[C@@H](O)C[NH2+][C@@H](CCSC)C(N)=O ZINC001253214984 825906425 /nfs/dbraw/zinc/90/64/25/825906425.db2.gz UQUPYPNPBQNEQO-QWRGUYRKSA-N 2 2 277.434 -0.114 20 0 CBADLP CC(C)(C)[NH2+]C[C@@H](O)C[NH+]1CCC2(CC1)COCC(=O)N2 ZINC001253388302 825911045 /nfs/dbraw/zinc/91/10/45/825911045.db2.gz GKDHKNPUIJNLBV-GFCCVEGCSA-N 2 2 299.415 -0.284 20 0 CBADLP CN1CCC2(C[NH+](C[C@H](O)C[NH2+]C(C)(C)C)C2)C1=O ZINC001253397165 825911807 /nfs/dbraw/zinc/91/18/07/825911807.db2.gz KMWPPQKGKJZFFY-LLVKDONJSA-N 2 2 269.389 -0.101 20 0 CBADLP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+][C@H]1CCCCNC1=O ZINC001253405860 825914261 /nfs/dbraw/zinc/91/42/61/825914261.db2.gz SVBPBIPNOCTSKV-QWRGUYRKSA-N 2 2 257.378 -0.006 20 0 CBADLP CN1CCC[C@H]([NH2+]C[C@H](O)C[NH2+]C(C)(C)C)C1=O ZINC001253408732 825914766 /nfs/dbraw/zinc/91/47/66/825914766.db2.gz YOTGCIPPYIZRBI-QWRGUYRKSA-N 2 2 257.378 -0.054 20 0 CBADLP CCOC(=O)CN1CCC([N@@H+]2CCO[C@H](C[NH3+])C2)CC1 ZINC001254394885 825959293 /nfs/dbraw/zinc/95/92/93/825959293.db2.gz VLKRMJOSCDMUTM-CYBMUJFWSA-N 2 2 285.388 -0.327 20 0 CBADLP CCOC(=O)CN1CCC([N@H+]2CCO[C@H](C[NH3+])C2)CC1 ZINC001254394885 825959298 /nfs/dbraw/zinc/95/92/98/825959298.db2.gz VLKRMJOSCDMUTM-CYBMUJFWSA-N 2 2 285.388 -0.327 20 0 CBADLP O=C1C[C@H](C[NH2+][C@H]2CC3CC[NH+](CC3)C2)C(=O)N1 ZINC001254843575 825969584 /nfs/dbraw/zinc/96/95/84/825969584.db2.gz JAYMSWXRKORSGS-MNOVXSKESA-N 2 2 251.330 -0.277 20 0 CBADLP COC[C@@H](C)[NH+]1CCN(CC[NH+]2CCOCC2)CC1 ZINC001255575733 825988791 /nfs/dbraw/zinc/98/87/91/825988791.db2.gz GSPKAAYFERRMBQ-CQSZACIVSA-N 2 2 271.405 -0.029 20 0 CBADLP CC[NH+](CC)CC[C@H](C)[NH2+]CC(=O)NCC(N)=O ZINC001255955182 825996679 /nfs/dbraw/zinc/99/66/79/825996679.db2.gz PUWMFMNTKQLOMJ-JTQLQIEISA-N 2 2 258.366 -0.702 20 0 CBADLP CCC[NH+]1CCC([NH2+][C@@H](C)C(=O)NCC(N)=O)CC1 ZINC001258770702 826070146 /nfs/dbraw/zinc/07/01/46/826070146.db2.gz POPFIMDIHJCWKB-JTQLQIEISA-N 2 2 270.377 -0.560 20 0 CBADLP C[NH+]1CCC([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)CC1 ZINC001261435830 826513082 /nfs/dbraw/zinc/51/30/82/826513082.db2.gz HIQMVPYPGVBXSG-CQSZACIVSA-N 3 2 270.421 -0.722 20 0 CBADLP CN1CCC([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)CC1 ZINC001261435830 826513085 /nfs/dbraw/zinc/51/30/85/826513085.db2.gz HIQMVPYPGVBXSG-CQSZACIVSA-N 2 2 270.421 -0.722 20 0 CBADLP C[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001261457478 826516070 /nfs/dbraw/zinc/51/60/70/826516070.db2.gz LHYQELOTGIFXAP-GHMZBOCLSA-N 3 2 254.378 -0.382 20 0 CBADLP C[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001261457478 826516073 /nfs/dbraw/zinc/51/60/73/826516073.db2.gz LHYQELOTGIFXAP-GHMZBOCLSA-N 3 2 254.378 -0.382 20 0 CBADLP C[C@@H](CNC(=O)CC1([NH3+])CC1)[NH+]1CCN(C)CC1 ZINC001261643866 826554463 /nfs/dbraw/zinc/55/44/63/826554463.db2.gz ILPBIXYRLDILHS-NSHDSACASA-N 2 2 254.378 -0.380 20 0 CBADLP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC001261839037 826595597 /nfs/dbraw/zinc/59/55/97/826595597.db2.gz UQAWKDMNDHBSMB-MNOVXSKESA-N 2 2 293.371 -0.458 20 0 CBADLP O=C(NCCN1CC[NH2+]CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001262005886 826617121 /nfs/dbraw/zinc/61/71/21/826617121.db2.gz RAXPHHAFGLJCTL-GHMZBOCLSA-N 2 2 263.345 -0.465 20 0 CBADLP O=C(NCCN1CC[NH2+]CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001262005886 826617127 /nfs/dbraw/zinc/61/71/27/826617127.db2.gz RAXPHHAFGLJCTL-GHMZBOCLSA-N 2 2 263.345 -0.465 20 0 CBADLP NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CCC2C[NH2+]C2)C1 ZINC001262007901 826617983 /nfs/dbraw/zinc/61/79/83/826617983.db2.gz VNBRXDAJKLOLCP-LLVKDONJSA-N 2 2 268.361 -0.948 20 0 CBADLP NC(=O)C[N@H+]1CCC[C@@H](NC(=O)CCC2C[NH2+]C2)C1 ZINC001262007901 826617990 /nfs/dbraw/zinc/61/79/90/826617990.db2.gz VNBRXDAJKLOLCP-LLVKDONJSA-N 2 2 268.361 -0.948 20 0 CBADLP CC[NH+]1CCN(CC[NH2+]C[C@@H](C)S(C)(=O)=O)CC1 ZINC001262562016 826709099 /nfs/dbraw/zinc/70/90/99/826709099.db2.gz MTCIYHGTOOJXNG-GFCCVEGCSA-N 2 2 277.434 -0.353 20 0 CBADLP C[C@@H](C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)C[NH+](C)C ZINC001262565849 826709985 /nfs/dbraw/zinc/70/99/85/826709985.db2.gz XMKVXDIOBPFVHE-UONOGXRCSA-N 3 2 272.437 -0.618 20 0 CBADLP C[C@H]1CN(CC[NH2+]C[C@H](O)C[N@H+](C)C2CC2)CCO1 ZINC001262563980 826710128 /nfs/dbraw/zinc/71/01/28/826710128.db2.gz URKBJDYIBKMITA-JSGCOSHPSA-N 2 2 271.405 -0.248 20 0 CBADLP C[C@H]1CN(CC[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)CCO1 ZINC001262563980 826710132 /nfs/dbraw/zinc/71/01/32/826710132.db2.gz URKBJDYIBKMITA-JSGCOSHPSA-N 2 2 271.405 -0.248 20 0 CBADLP CCC[NH2+]CCNC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001262584359 826714021 /nfs/dbraw/zinc/71/40/21/826714021.db2.gz AOYMTBZOPHQNRZ-UHFFFAOYSA-N 3 2 271.409 -0.292 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC001262585341 826714035 /nfs/dbraw/zinc/71/40/35/826714035.db2.gz AHYUEDZFJRMHDM-GFCCVEGCSA-N 3 2 269.393 -0.539 20 0 CBADLP C[C@@H]1CN(c2cc(N)[nH+]cn2)C[C@H](C)[N@H+]1CCO ZINC001262697892 826723987 /nfs/dbraw/zinc/72/39/87/826723987.db2.gz CJFJGLMHFVHQHW-AOOOYVTPSA-N 2 2 251.334 -0.050 20 0 CBADLP C[C@@H]1CN(c2cc(N)[nH+]cn2)C[C@H](C)[N@@H+]1CCO ZINC001262697892 826723990 /nfs/dbraw/zinc/72/39/90/826723990.db2.gz CJFJGLMHFVHQHW-AOOOYVTPSA-N 2 2 251.334 -0.050 20 0 CBADLP [NH3+]C[C@@H](O)CC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC001263096110 826737275 /nfs/dbraw/zinc/73/72/75/826737275.db2.gz HRGDKWNENKWVFO-NSHDSACASA-N 2 2 266.345 -0.412 20 0 CBADLP C[C@@H](CNC(=O)C1(C[NH3+])CC(O)C1)Cn1cc[nH+]c1 ZINC001263096083 826737332 /nfs/dbraw/zinc/73/73/32/826737332.db2.gz GQHSRYDMIBAYJP-ZBOXLXRLSA-N 2 2 266.345 -0.265 20 0 CBADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CC[NH2+]C[C@H]1CO ZINC001263180047 826750334 /nfs/dbraw/zinc/75/03/34/826750334.db2.gz CFVDCMQVTAJXMP-PWSUYJOCSA-N 2 2 264.329 -0.762 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1CC[N@H+](CCO)C1 ZINC001266355307 826988830 /nfs/dbraw/zinc/98/88/30/826988830.db2.gz FQIWXOTYCKNJGO-LLVKDONJSA-N 2 2 266.345 -0.465 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1CC[N@@H+](CCO)C1 ZINC001266355307 826988833 /nfs/dbraw/zinc/98/88/33/826988833.db2.gz FQIWXOTYCKNJGO-LLVKDONJSA-N 2 2 266.345 -0.465 20 0 CBADLP CC[N@H+](CCNC(=O)Cn1cc[nH+]c1)C[C@@H](C)O ZINC001266440190 826999921 /nfs/dbraw/zinc/99/99/21/826999921.db2.gz KDRLZLXTGYSLNK-LLVKDONJSA-N 2 2 254.334 -0.298 20 0 CBADLP CC[N@@H+](CCNC(=O)Cn1cc[nH+]c1)C[C@@H](C)O ZINC001266440190 826999925 /nfs/dbraw/zinc/99/99/25/826999925.db2.gz KDRLZLXTGYSLNK-LLVKDONJSA-N 2 2 254.334 -0.298 20 0 CBADLP NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001266690310 827053370 /nfs/dbraw/zinc/05/33/70/827053370.db2.gz HNQRAJYACUMAFW-AOOOYVTPSA-N 2 2 265.317 -0.936 20 0 CBADLP NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001266690310 827053382 /nfs/dbraw/zinc/05/33/82/827053382.db2.gz HNQRAJYACUMAFW-AOOOYVTPSA-N 2 2 265.317 -0.936 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@@H](C[NH2+]CCO)C1 ZINC001266810645 827071553 /nfs/dbraw/zinc/07/15/53/827071553.db2.gz CZXZXONDYHPXRV-NSHDSACASA-N 2 2 266.345 -0.227 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CC[NH2+]CC(N)=O ZINC001266870343 827077356 /nfs/dbraw/zinc/07/73/56/827077356.db2.gz LOUFYPMAXFOJMC-SECBINFHSA-N 2 2 267.333 -0.878 20 0 CBADLP CN(CC[NH2+]CCNC(=O)C1CC1)C(=O)Cc1[nH]cc[nH+]1 ZINC001266911407 827080853 /nfs/dbraw/zinc/08/08/53/827080853.db2.gz MKJUGQPPLBQRGH-UHFFFAOYSA-N 2 2 293.371 -0.474 20 0 CBADLP C[C@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+]CCCO ZINC001266943107 827093623 /nfs/dbraw/zinc/09/36/23/827093623.db2.gz UNCMBJJFTLDGIB-SNVBAGLBSA-N 2 2 254.334 -0.181 20 0 CBADLP C[C@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH2+]CCCO ZINC001266943107 827093632 /nfs/dbraw/zinc/09/36/32/827093632.db2.gz UNCMBJJFTLDGIB-SNVBAGLBSA-N 2 2 254.334 -0.181 20 0 CBADLP C[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+]CCCO ZINC001266943106 827093761 /nfs/dbraw/zinc/09/37/61/827093761.db2.gz UNCMBJJFTLDGIB-JTQLQIEISA-N 2 2 254.334 -0.181 20 0 CBADLP C[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH2+]CCCO ZINC001266943106 827093772 /nfs/dbraw/zinc/09/37/72/827093772.db2.gz UNCMBJJFTLDGIB-JTQLQIEISA-N 2 2 254.334 -0.181 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)N(C)CC[NH2+]Cc2cnon2)C1 ZINC001267105651 827113696 /nfs/dbraw/zinc/11/36/96/827113696.db2.gz IYFOJJVZJHYCDI-LBPRGKRZSA-N 2 2 297.359 -0.662 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)N(C)CC[NH2+]Cc2cnon2)C1 ZINC001267105651 827113697 /nfs/dbraw/zinc/11/36/97/827113697.db2.gz IYFOJJVZJHYCDI-LBPRGKRZSA-N 2 2 297.359 -0.662 20 0 CBADLP CC[N@H+](CCNC(=O)Cc1c[nH]c[nH+]1)C[C@H](C)O ZINC001267250437 827139234 /nfs/dbraw/zinc/13/92/34/827139234.db2.gz JKHMXTWQABQPMO-JTQLQIEISA-N 2 2 254.334 -0.229 20 0 CBADLP CC[N@@H+](CCNC(=O)Cc1c[nH]c[nH+]1)C[C@H](C)O ZINC001267250437 827139237 /nfs/dbraw/zinc/13/92/37/827139237.db2.gz JKHMXTWQABQPMO-JTQLQIEISA-N 2 2 254.334 -0.229 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N(C)CC[NH2+]CCCO ZINC001267461216 827173888 /nfs/dbraw/zinc/17/38/88/827173888.db2.gz ILEPRSGSKRUSKO-UHFFFAOYSA-N 2 2 254.334 -0.309 20 0 CBADLP CNC(=O)C[NH2+]CCN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001267455875 827174466 /nfs/dbraw/zinc/17/44/66/827174466.db2.gz FRFPAUFHHAJEDZ-UHFFFAOYSA-N 2 2 281.360 -0.519 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)NC2C[NH+](CCCCOC)C2)C1 ZINC001267669953 827195590 /nfs/dbraw/zinc/19/55/90/827195590.db2.gz MVCDXXGBEWFWDK-CQSZACIVSA-N 2 2 299.415 -0.066 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)NC2C[NH+](CCCCOC)C2)C1 ZINC001267669953 827195591 /nfs/dbraw/zinc/19/55/91/827195591.db2.gz MVCDXXGBEWFWDK-CQSZACIVSA-N 2 2 299.415 -0.066 20 0 CBADLP CN(C(=O)CCc1c[nH]c[nH+]1)[C@H]1CC[N@H+](CCO)C1 ZINC001267766268 827218482 /nfs/dbraw/zinc/21/84/82/827218482.db2.gz GUXUSNRGSSRWNJ-LBPRGKRZSA-N 2 2 266.345 -0.133 20 0 CBADLP CN(C(=O)CCc1c[nH]c[nH+]1)[C@H]1CC[N@@H+](CCO)C1 ZINC001267766268 827218491 /nfs/dbraw/zinc/21/84/91/827218491.db2.gz GUXUSNRGSSRWNJ-LBPRGKRZSA-N 2 2 266.345 -0.133 20 0 CBADLP CN(C(=O)CCc1c[nH+]c[nH]1)[C@H]1CC[N@H+](CCO)C1 ZINC001267766268 827218498 /nfs/dbraw/zinc/21/84/98/827218498.db2.gz GUXUSNRGSSRWNJ-LBPRGKRZSA-N 2 2 266.345 -0.133 20 0 CBADLP CN(C(=O)CCc1c[nH+]c[nH]1)[C@H]1CC[N@@H+](CCO)C1 ZINC001267766268 827218505 /nfs/dbraw/zinc/21/85/05/827218505.db2.gz GUXUSNRGSSRWNJ-LBPRGKRZSA-N 2 2 266.345 -0.133 20 0 CBADLP C[C@@H](C[NH2+]CCO)N(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001268072243 827253934 /nfs/dbraw/zinc/25/39/34/827253934.db2.gz SLADVLHMZLZKNG-NWDGAFQWSA-N 2 2 280.372 -0.126 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@H](C)C[NH2+]CCO ZINC001268096668 827255990 /nfs/dbraw/zinc/25/59/90/827255990.db2.gz RYQNGDWACROOIT-SECBINFHSA-N 2 2 254.334 -0.311 20 0 CBADLP COCC[NH2+]C/C=C/CNC(=O)Cc1c[nH]c[nH+]1 ZINC001268594655 827374936 /nfs/dbraw/zinc/37/49/36/827374936.db2.gz AEYZZQPWOWLITN-NSCUHMNNSA-N 2 2 252.318 -0.139 20 0 CBADLP C[C@H]([NH2+]C/C=C/CNC(=O)Cc1c[nH]c[nH+]1)C(N)=O ZINC001268600010 827376308 /nfs/dbraw/zinc/37/63/08/827376308.db2.gz XYIPRRVKVTZFNK-HPOULIHZSA-N 2 2 265.317 -0.912 20 0 CBADLP COCC[NH2+]C/C=C\CNC(=O)Cc1c[nH]c[nH+]1 ZINC001268594653 827376914 /nfs/dbraw/zinc/37/69/14/827376914.db2.gz AEYZZQPWOWLITN-IHWYPQMZSA-N 2 2 252.318 -0.139 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]C/C=C/CNC(=O)Cc1[nH]cc[nH+]1 ZINC001268607385 827378229 /nfs/dbraw/zinc/37/82/29/827378229.db2.gz HXEYJLMWEBZZAJ-HMDXOVGESA-N 2 2 279.344 -0.651 20 0 CBADLP C[C@H](C[NH2+]CCNC(=O)C1CC1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001268667684 827397183 /nfs/dbraw/zinc/39/71/83/827397183.db2.gz RRGUFSADNXWQBX-SNVBAGLBSA-N 2 2 293.371 -0.427 20 0 CBADLP C[C@H](C[NH2+]CCn1cncn1)NC(=O)Cn1cc[nH+]c1 ZINC001268676154 827399416 /nfs/dbraw/zinc/39/94/16/827399416.db2.gz MTSTXAISJRSMOV-LLVKDONJSA-N 2 2 277.332 -0.731 20 0 CBADLP CN(CCC[NH2+][C@H]1CCCNC1=O)C(=O)Cc1c[nH+]c[nH]1 ZINC001268860183 827433248 /nfs/dbraw/zinc/43/32/48/827433248.db2.gz BJIGSCDKXATSLP-LBPRGKRZSA-N 2 2 293.371 -0.331 20 0 CBADLP COCC[NH+]1CC(CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001268900532 827437722 /nfs/dbraw/zinc/43/77/22/827437722.db2.gz ITWUEEGHMPPTDL-UHFFFAOYSA-N 2 2 266.345 -0.045 20 0 CBADLP O=C(CCn1cc[nH+]c1)N[C@H]1CC[N@@H+](CCOCCO)C1 ZINC001269051924 827457245 /nfs/dbraw/zinc/45/72/45/827457245.db2.gz ORURQDAERZJHIL-ZDUSSCGKSA-N 2 2 296.371 -0.527 20 0 CBADLP O=C(CCn1cc[nH+]c1)N[C@H]1CC[N@H+](CCOCCO)C1 ZINC001269051924 827457247 /nfs/dbraw/zinc/45/72/47/827457247.db2.gz ORURQDAERZJHIL-ZDUSSCGKSA-N 2 2 296.371 -0.527 20 0 CBADLP O=C(N[C@H](C[NH2+]CCO)C1CC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001269084683 827461191 /nfs/dbraw/zinc/46/11/91/827461191.db2.gz MWJIGTVZRXFPQF-CHWSQXEVSA-N 2 2 292.383 -0.078 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CCOCCO ZINC001269272932 827488358 /nfs/dbraw/zinc/48/83/58/827488358.db2.gz PKPZVEVBVZERGB-QWHCGFSZSA-N 2 2 285.388 -0.720 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CCOCCO ZINC001269272932 827488361 /nfs/dbraw/zinc/48/83/61/827488361.db2.gz PKPZVEVBVZERGB-QWHCGFSZSA-N 2 2 285.388 -0.720 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCOCCO ZINC001269272932 827488364 /nfs/dbraw/zinc/48/83/64/827488364.db2.gz PKPZVEVBVZERGB-QWHCGFSZSA-N 2 2 285.388 -0.720 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1CCOCCO ZINC001269272932 827488367 /nfs/dbraw/zinc/48/83/67/827488367.db2.gz PKPZVEVBVZERGB-QWHCGFSZSA-N 2 2 285.388 -0.720 20 0 CBADLP C[NH+](C)CCC(=O)NCC1([NH2+]Cc2cnon2)CC1 ZINC001269484488 827513885 /nfs/dbraw/zinc/51/38/85/827513885.db2.gz MCYUHTZXLJQNJU-UHFFFAOYSA-N 2 2 267.333 -0.240 20 0 CBADLP CCOCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001270026840 827542054 /nfs/dbraw/zinc/54/20/54/827542054.db2.gz FBLNUYUMDPJKBT-ZIAGYGMSSA-N 2 2 299.415 -0.066 20 0 CBADLP CCOCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001270026840 827542062 /nfs/dbraw/zinc/54/20/62/827542062.db2.gz FBLNUYUMDPJKBT-ZIAGYGMSSA-N 2 2 299.415 -0.066 20 0 CBADLP COCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001270027122 827542526 /nfs/dbraw/zinc/54/25/26/827542526.db2.gz HSTWUGWEJFNMMH-UONOGXRCSA-N 2 2 299.415 -0.066 20 0 CBADLP COCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001270027122 827542536 /nfs/dbraw/zinc/54/25/36/827542536.db2.gz HSTWUGWEJFNMMH-UONOGXRCSA-N 2 2 299.415 -0.066 20 0 CBADLP C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CO)n1cc[nH+]c1 ZINC001270398528 827563205 /nfs/dbraw/zinc/56/32/05/827563205.db2.gz AWBHKTBWNOTASF-TUAOUCFPSA-N 2 2 264.329 -0.279 20 0 CBADLP C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CO)n1cc[nH+]c1 ZINC001270398528 827563210 /nfs/dbraw/zinc/56/32/10/827563210.db2.gz AWBHKTBWNOTASF-TUAOUCFPSA-N 2 2 264.329 -0.279 20 0 CBADLP C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](Cc1c[nH]c[nH+]1)NC=O ZINC001270407076 827564105 /nfs/dbraw/zinc/56/41/05/827564105.db2.gz WHCWGUHZFNEFRJ-AVGNSLFASA-N 2 2 291.355 -0.628 20 0 CBADLP C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](Cc1c[nH]c[nH+]1)NC=O ZINC001270407076 827564109 /nfs/dbraw/zinc/56/41/09/827564109.db2.gz WHCWGUHZFNEFRJ-AVGNSLFASA-N 2 2 291.355 -0.628 20 0 CBADLP C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](Cc1c[nH+]c[nH]1)NC=O ZINC001270407076 827564113 /nfs/dbraw/zinc/56/41/13/827564113.db2.gz WHCWGUHZFNEFRJ-AVGNSLFASA-N 2 2 291.355 -0.628 20 0 CBADLP C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](Cc1c[nH+]c[nH]1)NC=O ZINC001270407076 827564115 /nfs/dbraw/zinc/56/41/15/827564115.db2.gz WHCWGUHZFNEFRJ-AVGNSLFASA-N 2 2 291.355 -0.628 20 0 CBADLP C[N@@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)CCc1[nH]cc[nH+]1 ZINC001270455960 827569792 /nfs/dbraw/zinc/56/97/92/827569792.db2.gz JBVFITAFLYYNIF-PHIMTYICSA-N 2 2 264.329 -0.116 20 0 CBADLP C[N@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)CCc1[nH]cc[nH+]1 ZINC001270455960 827569793 /nfs/dbraw/zinc/56/97/93/827569793.db2.gz JBVFITAFLYYNIF-PHIMTYICSA-N 2 2 264.329 -0.116 20 0 CBADLP C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001270978436 827612347 /nfs/dbraw/zinc/61/23/47/827612347.db2.gz XILDOHMBXPJVHG-QJPTWQEYSA-N 2 2 253.346 -0.521 20 0 CBADLP C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001270978436 827612351 /nfs/dbraw/zinc/61/23/51/827612351.db2.gz XILDOHMBXPJVHG-QJPTWQEYSA-N 2 2 253.346 -0.521 20 0 CBADLP C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001270978436 827612353 /nfs/dbraw/zinc/61/23/53/827612353.db2.gz XILDOHMBXPJVHG-QJPTWQEYSA-N 2 2 253.346 -0.521 20 0 CBADLP C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC001270978436 827612359 /nfs/dbraw/zinc/61/23/59/827612359.db2.gz XILDOHMBXPJVHG-QJPTWQEYSA-N 2 2 253.346 -0.521 20 0 CBADLP CC[N@H+](C)CC(=O)N1CC[NH+](C)C[C@]2(CCCC(=O)N2)C1 ZINC001271081082 827619515 /nfs/dbraw/zinc/61/95/15/827619515.db2.gz LWOBUOYTCMXPAS-OAHLLOKOSA-N 2 2 296.415 -0.249 20 0 CBADLP CC[N@@H+](C)CC(=O)N1CC[NH+](C)C[C@]2(CCCC(=O)N2)C1 ZINC001271081082 827619519 /nfs/dbraw/zinc/61/95/19/827619519.db2.gz LWOBUOYTCMXPAS-OAHLLOKOSA-N 2 2 296.415 -0.249 20 0 CBADLP CC[NH+](C)CC(=O)N1CC[N@H+](C)C[C@]2(CCCC(=O)N2)C1 ZINC001271081082 827619524 /nfs/dbraw/zinc/61/95/24/827619524.db2.gz LWOBUOYTCMXPAS-OAHLLOKOSA-N 2 2 296.415 -0.249 20 0 CBADLP CC[NH+](C)CC(=O)N1CC[N@@H+](C)C[C@]2(CCCC(=O)N2)C1 ZINC001271081082 827619529 /nfs/dbraw/zinc/61/95/29/827619529.db2.gz LWOBUOYTCMXPAS-OAHLLOKOSA-N 2 2 296.415 -0.249 20 0 CBADLP C[C@@H](C[NH2+]CCn1cncn1)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001271156679 827630960 /nfs/dbraw/zinc/63/09/60/827630960.db2.gz YYXKBJPWZAMAOG-NSHDSACASA-N 2 2 291.359 -0.320 20 0 CBADLP CCOCC[NH+]1CC(O)(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001271380580 827697622 /nfs/dbraw/zinc/69/76/22/827697622.db2.gz NXDSOKYYZBSODJ-ZDUSSCGKSA-N 2 2 299.415 -0.472 20 0 CBADLP CCOCC[NH+]1CC(O)(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001271380580 827697626 /nfs/dbraw/zinc/69/76/26/827697626.db2.gz NXDSOKYYZBSODJ-ZDUSSCGKSA-N 2 2 299.415 -0.472 20 0 CBADLP CC[NH+](CC)CC(=O)N1C[C@@H]2C[N@@H+](C)C[C@H](C1)O2 ZINC001271537932 827709038 /nfs/dbraw/zinc/70/90/38/827709038.db2.gz MOAVZVGAKRIYDR-TXEJJXNPSA-N 2 2 255.362 -0.130 20 0 CBADLP CC[NH+](CC)CC(=O)N1C[C@@H]2C[N@H+](C)C[C@H](C1)O2 ZINC001271537932 827709042 /nfs/dbraw/zinc/70/90/42/827709042.db2.gz MOAVZVGAKRIYDR-TXEJJXNPSA-N 2 2 255.362 -0.130 20 0 CBADLP C[C@@H]([NH2+]CCO)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001271560592 827709670 /nfs/dbraw/zinc/70/96/70/827709670.db2.gz KUWPZAKGKJHGKT-NEPJUHHUSA-N 2 2 266.345 -0.298 20 0 CBADLP CC[NH+]1CCN(CC(=O)N2CC3(C2)C[NH+](C)C3)CC1 ZINC001271905534 827733842 /nfs/dbraw/zinc/73/38/42/827733842.db2.gz NYTBLSNOUSLRQH-UHFFFAOYSA-N 2 2 266.389 -0.602 20 0 CBADLP CC[NH2+]C[C@@H](O)CNC(=O)Cc1c[nH+]ccc1OC ZINC001272454721 827799858 /nfs/dbraw/zinc/79/98/58/827799858.db2.gz PZHSUUOPMKQRRB-LLVKDONJSA-N 2 2 267.329 -0.281 20 0 CBADLP CCC[NH+]1CC2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001272454190 827800886 /nfs/dbraw/zinc/80/08/86/827800886.db2.gz QPZUOOSLHYXUMO-UHFFFAOYSA-N 2 2 255.362 -0.129 20 0 CBADLP CN(CCC[N@H+](C)CCO)C(=O)Cc1[nH]cc[nH+]1 ZINC001273572012 827911756 /nfs/dbraw/zinc/91/17/56/827911756.db2.gz UGEMFDYSPFDXSX-UHFFFAOYSA-N 2 2 254.334 -0.275 20 0 CBADLP CN(CCC[N@@H+](C)CCO)C(=O)Cc1[nH]cc[nH+]1 ZINC001273572012 827911763 /nfs/dbraw/zinc/91/17/63/827911763.db2.gz UGEMFDYSPFDXSX-UHFFFAOYSA-N 2 2 254.334 -0.275 20 0 CBADLP C[C@H](CO)C[NH+]1CC2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001274068702 827963996 /nfs/dbraw/zinc/96/39/96/827963996.db2.gz LQYFUFHEVYLNLO-LBPRGKRZSA-N 2 2 285.388 -0.910 20 0 CBADLP C[C@@H]([NH2+]C/C=C\CNC(=O)CCc1[nH+]ccn1C)C(N)=O ZINC001274228382 827974675 /nfs/dbraw/zinc/97/46/75/827974675.db2.gz QABAKFDOMDBYTK-DLRQAJBASA-N 2 2 293.371 -0.512 20 0 CBADLP C[C@H](O)C[NH2+]C/C=C\CNC(=O)Cc1c[nH]c[nH+]1 ZINC001274393001 827986390 /nfs/dbraw/zinc/98/63/90/827986390.db2.gz JAYRBWIZFMFNJY-ZMWSMAPVSA-N 2 2 252.318 -0.405 20 0 CBADLP CN1CC[C@@H]([NH2+]C/C=C/CNC(=O)Cc2c[nH]c[nH+]2)C1=O ZINC001274391791 827986747 /nfs/dbraw/zinc/98/67/47/827986747.db2.gz AKMQPKVPBBFGFM-QAVQXKDTSA-N 2 2 291.355 -0.555 20 0 CBADLP O=C(C[NH+]1CCCC1)NC/C=C/C[NH2+]Cc1cnon1 ZINC001274579192 828003000 /nfs/dbraw/zinc/00/30/00/828003000.db2.gz RPEVMYCVCHQOKL-OWOJBTEDSA-N 2 2 279.344 -0.073 20 0 CBADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1CC[C@@]2(C1)CN(C)C(=O)CO2 ZINC001274655474 828017398 /nfs/dbraw/zinc/01/73/98/828017398.db2.gz KXVKGLWYKRJMFP-ZFWWWQNUSA-N 2 2 299.415 -0.378 20 0 CBADLP CC[NH+](CC)C[C@H](O)C[N@H+]1CC[C@@]2(C1)CN(C)C(=O)CO2 ZINC001274655474 828017410 /nfs/dbraw/zinc/01/74/10/828017410.db2.gz KXVKGLWYKRJMFP-ZFWWWQNUSA-N 2 2 299.415 -0.378 20 0 CBADLP COCC[N@@H+]1C[C@@H]2OCCN(CCn3cc[nH+]c3)[C@H]2C1 ZINC001274981464 828047316 /nfs/dbraw/zinc/04/73/16/828047316.db2.gz IGIPBUUKSHTOCR-KBPBESRZSA-N 2 2 280.372 -0.086 20 0 CBADLP COCC[N@H+]1C[C@@H]2OCCN(CCn3cc[nH+]c3)[C@H]2C1 ZINC001274981464 828047325 /nfs/dbraw/zinc/04/73/25/828047325.db2.gz IGIPBUUKSHTOCR-KBPBESRZSA-N 2 2 280.372 -0.086 20 0 CBADLP C[C@@H](C[NH2+]CCCO)NC(=O)CCn1cc[nH+]c1 ZINC001275251876 828073152 /nfs/dbraw/zinc/07/31/52/828073152.db2.gz XWJVUAKYHCAZQS-NSHDSACASA-N 2 2 254.334 -0.250 20 0 CBADLP C[C@@H](CNC(=O)CCc1[nH+]ccn1C)[N@H+](C)CCO ZINC001275888581 828120863 /nfs/dbraw/zinc/12/08/63/828120863.db2.gz YCHBIWNCHQNHJS-NSHDSACASA-N 2 2 268.361 -0.219 20 0 CBADLP C[C@@H](CNC(=O)CCc1[nH+]ccn1C)[N@@H+](C)CCO ZINC001275888581 828120866 /nfs/dbraw/zinc/12/08/66/828120866.db2.gz YCHBIWNCHQNHJS-NSHDSACASA-N 2 2 268.361 -0.219 20 0 CBADLP C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)C1C[NH+](C[C@H](C)O)C1 ZINC001276440600 828145878 /nfs/dbraw/zinc/14/58/78/828145878.db2.gz ZYZUXSNGVXZVQR-VHSXEESVSA-N 2 2 266.345 -0.231 20 0 CBADLP C[NH+](C)CCN1C[C@@H]2COC[C@H](C1)N2CCn1cc[nH+]c1 ZINC001276463648 828146782 /nfs/dbraw/zinc/14/67/82/828146782.db2.gz YKOCJKAXXBGPAL-GASCZTMLSA-N 2 2 293.415 -0.170 20 0 CBADLP O=C(N[C@H](C[NH2+]CCO)C1CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001276602602 828151726 /nfs/dbraw/zinc/15/17/26/828151726.db2.gz BFZIIRINECIURS-IJLUTSLNSA-N 2 2 278.356 -0.010 20 0 CBADLP O=C(N[C@H](C[NH2+]CCO)C1CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001276602602 828151731 /nfs/dbraw/zinc/15/17/31/828151731.db2.gz BFZIIRINECIURS-IJLUTSLNSA-N 2 2 278.356 -0.010 20 0 CBADLP C[NH+](C)CCN1CCO[C@H]2C[N@H+](Cc3cnccn3)C[C@H]21 ZINC001276734040 828157749 /nfs/dbraw/zinc/15/77/49/828157749.db2.gz HDFQTBCFVUSTGQ-CABCVRRESA-N 2 2 291.399 -0.077 20 0 CBADLP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](Cc3cnccn3)C[C@H]21 ZINC001276734040 828157751 /nfs/dbraw/zinc/15/77/51/828157751.db2.gz HDFQTBCFVUSTGQ-CABCVRRESA-N 2 2 291.399 -0.077 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC[C@H]1CC[N@@H+]1CCO ZINC001276954783 828168748 /nfs/dbraw/zinc/16/87/48/828168748.db2.gz CQANRLAXLPMQDZ-SNVBAGLBSA-N 2 2 252.318 -0.855 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC[C@H]1CC[N@H+]1CCO ZINC001276954783 828168753 /nfs/dbraw/zinc/16/87/53/828168753.db2.gz CQANRLAXLPMQDZ-SNVBAGLBSA-N 2 2 252.318 -0.855 20 0 CBADLP C[C@@H](CCC[NH2+]CC(N)=O)NC(=O)Cc1c[nH+]cn1C ZINC001277335437 828184831 /nfs/dbraw/zinc/18/48/31/828184831.db2.gz OUOULQJDNNCETL-JTQLQIEISA-N 2 2 281.360 -0.678 20 0 CBADLP C[NH+](C)CCN1CC2(C1)C[NH+](CC(=O)N1CCOCC1)C2 ZINC001277504034 828192065 /nfs/dbraw/zinc/19/20/65/828192065.db2.gz MKYLLJHAJMXCLT-UHFFFAOYSA-N 2 2 296.415 -0.976 20 0 CBADLP Cn1nncc1C[N@@H+]1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001277601900 828197690 /nfs/dbraw/zinc/19/76/90/828197690.db2.gz DETUXGHHXWYJLG-KBPBESRZSA-N 2 2 294.403 -0.738 20 0 CBADLP Cn1nncc1C[N@H+]1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001277601900 828197691 /nfs/dbraw/zinc/19/76/91/828197691.db2.gz DETUXGHHXWYJLG-KBPBESRZSA-N 2 2 294.403 -0.738 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N(C)C1C[NH+](CCOCCO)C1 ZINC001277707302 828204247 /nfs/dbraw/zinc/20/42/47/828204247.db2.gz ZMUFKOKOHDOTEH-UHFFFAOYSA-N 2 2 287.404 -0.522 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N(C)C1C[NH+](CCOCCO)C1 ZINC001277707302 828204252 /nfs/dbraw/zinc/20/42/52/828204252.db2.gz ZMUFKOKOHDOTEH-UHFFFAOYSA-N 2 2 287.404 -0.522 20 0 CBADLP CC(=O)[C@@H](C)[N@@H+]1C[C@@H]2COC[C@H](C1)N2CC[NH+](C)C ZINC001277887767 828216741 /nfs/dbraw/zinc/21/67/41/828216741.db2.gz XKBYICATOMVHJN-BNOWGMLFSA-N 2 2 269.389 -0.090 20 0 CBADLP CC(=O)[C@@H](C)[N@H+]1C[C@@H]2COC[C@H](C1)N2CC[NH+](C)C ZINC001277887767 828216748 /nfs/dbraw/zinc/21/67/48/828216748.db2.gz XKBYICATOMVHJN-BNOWGMLFSA-N 2 2 269.389 -0.090 20 0 CBADLP C[C@H](O)C[N@@H+]1C[C@@H]2COC[C@H](C1)N2CCn1cc[nH+]c1 ZINC001277961465 828223792 /nfs/dbraw/zinc/22/37/92/828223792.db2.gz YELOVMMIDFUNCZ-MELADBBJSA-N 2 2 280.372 -0.351 20 0 CBADLP C[C@H](O)C[N@H+]1C[C@@H]2COC[C@H](C1)N2CCn1cc[nH+]c1 ZINC001277961465 828223796 /nfs/dbraw/zinc/22/37/96/828223796.db2.gz YELOVMMIDFUNCZ-MELADBBJSA-N 2 2 280.372 -0.351 20 0 CBADLP C[C@@H](O)C[NH+]1CC2(CN(CCn3cc[nH+]c3)C2)C1 ZINC001277961494 828224024 /nfs/dbraw/zinc/22/40/24/828224024.db2.gz YQIBPNAVETXZMJ-GFCCVEGCSA-N 2 2 250.346 -0.119 20 0 CBADLP CNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001277979399 828225704 /nfs/dbraw/zinc/22/57/04/828225704.db2.gz PHYPFCSCTNEVHZ-VIFPVBQESA-N 2 2 267.333 -0.865 20 0 CBADLP CN(C[C@H](O)C[NH2+]CCF)C(=O)Cn1cc[nH+]c1 ZINC001278838045 828295727 /nfs/dbraw/zinc/29/57/27/828295727.db2.gz GGBZYFXXPDZGLO-SNVBAGLBSA-N 2 2 258.297 -0.739 20 0 CBADLP Cn1cc[nH+]c1CCNC(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001347745129 890507183 /nfs/dbraw/zinc/50/71/83/890507183.db2.gz JUIQCQOJMJWASS-GWCFXTLKSA-N 2 2 266.345 -0.466 20 0 CBADLP Cn1cc[nH+]c1CCNC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001347745129 890507191 /nfs/dbraw/zinc/50/71/91/890507191.db2.gz JUIQCQOJMJWASS-GWCFXTLKSA-N 2 2 266.345 -0.466 20 0 CBADLP [NH3+]C1(CNC(=O)NCCn2cc[nH+]c2)CCOCC1 ZINC001348308832 890594676 /nfs/dbraw/zinc/59/46/76/890594676.db2.gz YIJDBXSBCDXQLH-UHFFFAOYSA-N 2 2 267.333 -0.310 20 0 CBADLP CONC(=O)C1CC[NH+](C[C@@H]2C[NH2+]CCO2)CC1 ZINC001348814577 890702875 /nfs/dbraw/zinc/70/28/75/890702875.db2.gz HJALRCDABJMVFG-NSHDSACASA-N 2 2 257.334 -0.636 20 0 CBADLP NC(=O)C[N@H+]1CCC[C@@H](NC(=O)C2CC[NH2+]CC2)C1 ZINC001349473011 890820468 /nfs/dbraw/zinc/82/04/68/890820468.db2.gz KXTHHEJQHWGWIU-LLVKDONJSA-N 2 2 268.361 -0.948 20 0 CBADLP C[C@@H](C(=O)N(C)CCN1CC[NH2+]CC1)n1cc[nH+]c1 ZINC001328590642 885736421 /nfs/dbraw/zinc/73/64/21/885736421.db2.gz AXCKQKFXDKFTGS-LBPRGKRZSA-N 2 2 265.361 -0.192 20 0 CBADLP O=C1NCCO[C@@H]2CCC[N@H+](C[C@H]3CCC[NH2+]C3)[C@H]12 ZINC001329315510 886010101 /nfs/dbraw/zinc/01/01/01/886010101.db2.gz HOJKZRNHCPMYNF-XQQFMLRXSA-N 2 2 267.373 -0.035 20 0 CBADLP O=C1NCCO[C@@H]2CCC[N@@H+](C[C@H]3CCC[NH2+]C3)[C@H]12 ZINC001329315510 886010108 /nfs/dbraw/zinc/01/01/08/886010108.db2.gz HOJKZRNHCPMYNF-XQQFMLRXSA-N 2 2 267.373 -0.035 20 0 CBADLP O=C1NCCO[C@@H]2CCC[N@H+](C[C@@H]3CCC[NH2+]C3)[C@@H]12 ZINC001329315508 886010681 /nfs/dbraw/zinc/01/06/81/886010681.db2.gz HOJKZRNHCPMYNF-JHJVBQTASA-N 2 2 267.373 -0.035 20 0 CBADLP O=C1NCCO[C@@H]2CCC[N@@H+](C[C@@H]3CCC[NH2+]C3)[C@@H]12 ZINC001329315508 886010688 /nfs/dbraw/zinc/01/06/88/886010688.db2.gz HOJKZRNHCPMYNF-JHJVBQTASA-N 2 2 267.373 -0.035 20 0 CBADLP [NH3+]Cc1cc(=O)[nH]c(C[NH2+][C@@H]2CCC[NH2+]CC2)n1 ZINC001329568383 886123123 /nfs/dbraw/zinc/12/31/23/886123123.db2.gz FKOUCAVPQKAEHE-SECBINFHSA-N 3 2 251.334 -0.127 20 0 CBADLP NC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]([NH3+])C2CCC2)C1 ZINC001329564565 886125261 /nfs/dbraw/zinc/12/52/61/886125261.db2.gz OFBWHNGOSXQGNG-PWSUYJOCSA-N 2 2 268.361 -0.820 20 0 CBADLP C[NH+]1CCN(C2CCN(C(=O)CCC[NH3+])CC2)CC1 ZINC001330034122 886330988 /nfs/dbraw/zinc/33/09/88/886330988.db2.gz HSCQZLICGBPLKN-UHFFFAOYSA-N 2 2 268.405 -0.036 20 0 CBADLP CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)CCCC[NH+](C)C)C1 ZINC001330068945 886345915 /nfs/dbraw/zinc/34/59/15/886345915.db2.gz CSRNSVYHVOWBEG-GFCCVEGCSA-N 2 2 298.431 -0.099 20 0 CBADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@H](C[NH3+])OC ZINC001330882514 886612833 /nfs/dbraw/zinc/61/28/33/886612833.db2.gz GNFPEIZNSJIGPO-QWRGUYRKSA-N 2 2 259.350 -0.813 20 0 CBADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@H](C[NH3+])OC ZINC001330882514 886612845 /nfs/dbraw/zinc/61/28/45/886612845.db2.gz GNFPEIZNSJIGPO-QWRGUYRKSA-N 2 2 259.350 -0.813 20 0 CBADLP CCN(C(=O)[C@@H](C)N1CC[NH2+]CC1=O)[C@@H]1CC[NH2+]C1 ZINC001331444061 886811411 /nfs/dbraw/zinc/81/14/11/886811411.db2.gz QBLJRNIDSXXQOG-GHMZBOCLSA-N 2 2 268.361 -0.983 20 0 CBADLP Cn1c[nH+]cc1CNC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC001331637761 886876257 /nfs/dbraw/zinc/87/62/57/886876257.db2.gz AQEPELWDTDUMFX-NSHDSACASA-N 2 2 267.333 -0.714 20 0 CBADLP Cn1c[nH+]cc1CNC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC001331637761 886876270 /nfs/dbraw/zinc/87/62/70/886876270.db2.gz AQEPELWDTDUMFX-NSHDSACASA-N 2 2 267.333 -0.714 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC001333054159 887512963 /nfs/dbraw/zinc/51/29/63/887512963.db2.gz QPKUBNNKPLRFEO-NSHDSACASA-N 2 2 254.378 -0.428 20 0 CBADLP C[C@H]([NH3+])CCNC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC001333178314 887552477 /nfs/dbraw/zinc/55/24/77/887552477.db2.gz KXAGKWNBDXXMPG-JTQLQIEISA-N 2 2 268.361 -0.854 20 0 CBADLP C[C@@H](C[NH2+]C[C@H](O)C[N@H+](C)C1CC1)N1CC[NH+](C)CC1 ZINC001335400502 888522076 /nfs/dbraw/zinc/52/20/76/888522076.db2.gz QGUCMOTVPLTSDJ-ZFWWWQNUSA-N 3 2 284.448 -0.333 20 0 CBADLP C[C@@H](C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1)N1CC[NH+](C)CC1 ZINC001335400502 888522096 /nfs/dbraw/zinc/52/20/96/888522096.db2.gz QGUCMOTVPLTSDJ-ZFWWWQNUSA-N 3 2 284.448 -0.333 20 0 CBADLP COCCOC[C@H](O)C[NH2+][C@@H](C)[C@H]1C[N@H+](C)CCN1C ZINC001336779136 888877767 /nfs/dbraw/zinc/87/77/67/888877767.db2.gz HLLCXWZKVWNZSD-BFHYXJOUSA-N 2 2 289.420 -0.766 20 0 CBADLP COCCOC[C@H](O)C[NH2+][C@@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC001336779136 888877786 /nfs/dbraw/zinc/87/77/86/888877786.db2.gz HLLCXWZKVWNZSD-BFHYXJOUSA-N 2 2 289.420 -0.766 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@]12CC[C@H]1C[NH2+]C2 ZINC001340042505 889369834 /nfs/dbraw/zinc/36/98/34/889369834.db2.gz ZOJMFACEWKKMFM-OBJOEFQTSA-N 2 2 267.373 -0.177 20 0 CBADLP CC[C@@]1(C(=O)NCC[NH+]2CCC([NH3+])CC2)CCNC1=O ZINC001341056906 889535251 /nfs/dbraw/zinc/53/52/51/889535251.db2.gz OOEKZHWTPDFVGN-CQSZACIVSA-N 2 2 282.388 -0.558 20 0 CBADLP [NH3+][C@@H](CC1CC1)C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001341056989 889536328 /nfs/dbraw/zinc/53/63/28/889536328.db2.gz RNCHYZGBBQFMNZ-LBPRGKRZSA-N 3 2 254.378 -0.347 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001341056642 889536652 /nfs/dbraw/zinc/53/66/52/889536652.db2.gz MQLIWQGRLJRHKD-UHFFFAOYSA-N 3 2 256.394 -0.134 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001341056642 889536666 /nfs/dbraw/zinc/53/66/66/889536666.db2.gz MQLIWQGRLJRHKD-UHFFFAOYSA-N 3 2 256.394 -0.134 20 0 CBADLP C[NH+](C)C1(C(=O)NCC2C[NH+]([C@H]3CCNC3=O)C2)CCC1 ZINC001443588615 912237912 /nfs/dbraw/zinc/23/79/12/912237912.db2.gz LLIWAOAEBLYXDD-LBPRGKRZSA-N 2 2 294.399 -0.593 20 0 CBADLP CC[N@H+](C)CCC(=O)NCC1C[NH+](CC(=O)NC2CC2)C1 ZINC001443640905 912249555 /nfs/dbraw/zinc/24/95/55/912249555.db2.gz GIMIPFCARBQUIR-UHFFFAOYSA-N 2 2 296.415 -0.345 20 0 CBADLP CC[N@@H+](C)CCC(=O)NCC1C[NH+](CC(=O)NC2CC2)C1 ZINC001443640905 912249570 /nfs/dbraw/zinc/24/95/70/912249570.db2.gz GIMIPFCARBQUIR-UHFFFAOYSA-N 2 2 296.415 -0.345 20 0 CBADLP CC[C@H](C(=O)N[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1)[NH+](C)C ZINC001443713651 912265032 /nfs/dbraw/zinc/26/50/32/912265032.db2.gz YSVNFDDPFLJBBH-TUAOUCFPSA-N 2 2 282.388 -0.594 20 0 CBADLP CC[C@H](C(=O)N[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1)[NH+](C)C ZINC001443713651 912265044 /nfs/dbraw/zinc/26/50/44/912265044.db2.gz YSVNFDDPFLJBBH-TUAOUCFPSA-N 2 2 282.388 -0.594 20 0 CBADLP CC[C@H](CNC(=O)CCn1cc[nH+]c1)[NH2+][C@H](C)C(=O)NC ZINC001443965357 912321244 /nfs/dbraw/zinc/32/12/44/912321244.db2.gz BCKNCROSMJJEDM-VXGBXAGGSA-N 2 2 295.387 -0.108 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)C23CC(C2)C[NH2+]3)CC1 ZINC001342549638 889793470 /nfs/dbraw/zinc/79/34/70/889793470.db2.gz UZXZLRBOWASOII-UHFFFAOYSA-N 3 2 252.362 -0.722 20 0 CBADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)CNCC[NH3+] ZINC001343373000 889896178 /nfs/dbraw/zinc/89/61/78/889896178.db2.gz BIOWOJTZVMVCAZ-LLVKDONJSA-N 2 2 267.377 -0.038 20 0 CBADLP C[C@H](NC(=O)[C@@H]1C[C@@H]1C[NH3+])[C@@H]1CN(C)CC[N@@H+]1C ZINC001343581791 889935608 /nfs/dbraw/zinc/93/56/08/889935608.db2.gz FMADLHMMOUVWQS-QCNOEVLYSA-N 2 2 254.378 -0.668 20 0 CBADLP C[C@H](NC(=O)[C@@H]1C[C@@H]1C[NH3+])[C@@H]1CN(C)CC[N@H+]1C ZINC001343581791 889935623 /nfs/dbraw/zinc/93/56/23/889935623.db2.gz FMADLHMMOUVWQS-QCNOEVLYSA-N 2 2 254.378 -0.668 20 0 CBADLP COC[C@@H](C)[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001444483679 912457256 /nfs/dbraw/zinc/45/72/56/912457256.db2.gz VIEIBWDLSSTIHE-KGLIPLIRSA-N 2 2 299.415 -0.066 20 0 CBADLP COC[C@@H](C)[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001444483679 912457264 /nfs/dbraw/zinc/45/72/64/912457264.db2.gz VIEIBWDLSSTIHE-KGLIPLIRSA-N 2 2 299.415 -0.066 20 0 CBADLP C[C@H]([NH2+]C[C@H](C)N(C)C(=O)CCc1c[nH+]cn1C)C(N)=O ZINC001444708128 912493379 /nfs/dbraw/zinc/49/33/79/912493379.db2.gz CKGPCQGGAOWDML-QWRGUYRKSA-N 2 2 295.387 -0.337 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)CCCn1cc[nH+]c1 ZINC001444736446 912498743 /nfs/dbraw/zinc/49/87/43/912498743.db2.gz YOJNMRPEIGNENP-GFCCVEGCSA-N 2 2 295.387 -0.154 20 0 CBADLP C[C@@H](CC[NH2+][C@@H]1CCN(C)C1=O)NC(=O)Cc1c[nH]c[nH+]1 ZINC001445297288 912624873 /nfs/dbraw/zinc/62/48/73/912624873.db2.gz AFAZACJXSKSSGG-CMPLNLGQSA-N 2 2 293.371 -0.333 20 0 CBADLP CC[C@@H]([NH2+]CC[C@H](C)NC(=O)Cn1cc[nH+]c1)C(N)=O ZINC001445301458 912629548 /nfs/dbraw/zinc/62/95/48/912629548.db2.gz LEVQZCXFHQUXRW-WDEREUQCSA-N 2 2 281.360 -0.369 20 0 CBADLP C[C@H](C[NH2+][C@@H]1CCCNC1=O)NC(=O)CCn1cc[nH+]c1 ZINC001445420088 912662873 /nfs/dbraw/zinc/66/28/73/912662873.db2.gz YQKJHEZDEKCCCR-VXGBXAGGSA-N 2 2 293.371 -0.354 20 0 CBADLP CC[N@H+](C)CCC(=O)NC[C@H]1CC[NH+]1[C@H](C)C(=O)NC ZINC001446131780 912816973 /nfs/dbraw/zinc/81/69/73/912816973.db2.gz SCANIOIVVHHGAQ-VXGBXAGGSA-N 2 2 284.404 -0.347 20 0 CBADLP CC[N@@H+](C)CCC(=O)NC[C@H]1CC[NH+]1[C@H](C)C(=O)NC ZINC001446131780 912816991 /nfs/dbraw/zinc/81/69/91/912816991.db2.gz SCANIOIVVHHGAQ-VXGBXAGGSA-N 2 2 284.404 -0.347 20 0 CBADLP CC[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+]1[C@H](C)C(=O)NC ZINC001446131780 912817011 /nfs/dbraw/zinc/81/70/11/912817011.db2.gz SCANIOIVVHHGAQ-VXGBXAGGSA-N 2 2 284.404 -0.347 20 0 CBADLP CC[NH+](C)CCC(=O)NC[C@H]1CC[N@H+]1[C@H](C)C(=O)NC ZINC001446131780 912817030 /nfs/dbraw/zinc/81/70/30/912817030.db2.gz SCANIOIVVHHGAQ-VXGBXAGGSA-N 2 2 284.404 -0.347 20 0 CBADLP Cc1cn(C(C)(C)C(=O)NCC2([NH2+]CC(N)=O)CC2)c[nH+]1 ZINC001446188992 912830419 /nfs/dbraw/zinc/83/04/19/912830419.db2.gz CPVLLEYILMYGSS-UHFFFAOYSA-N 2 2 293.371 -0.350 20 0 CBADLP COCC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001090599364 884646697 /nfs/dbraw/zinc/64/66/97/884646697.db2.gz DPBWYXHIHDEZMY-NEPJUHHUSA-N 2 2 282.344 -0.850 20 0 CBADLP COCC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001090599364 884646700 /nfs/dbraw/zinc/64/67/00/884646700.db2.gz DPBWYXHIHDEZMY-NEPJUHHUSA-N 2 2 282.344 -0.850 20 0 CBADLP C[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(N)=O)CC1 ZINC001097775362 884651506 /nfs/dbraw/zinc/65/15/06/884651506.db2.gz KMVPHHPOZKGBFT-UPJWGTAASA-N 2 2 294.399 -0.465 20 0 CBADLP C[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(N)=O)CC1 ZINC001097775362 884651515 /nfs/dbraw/zinc/65/15/15/884651515.db2.gz KMVPHHPOZKGBFT-UPJWGTAASA-N 2 2 294.399 -0.465 20 0 CBADLP CC[N@H+](C)CCC(=O)NCC1([NH2+]Cc2cnn(C)n2)CC1 ZINC001446256705 912850167 /nfs/dbraw/zinc/85/01/67/912850167.db2.gz HXLVAQJTIJYCBT-UHFFFAOYSA-N 2 2 294.403 -0.105 20 0 CBADLP Cc1nnc(C[NH2+]CCNC(=O)C[N@@H+](C)C(C)C)[nH]1 ZINC001152426093 884676762 /nfs/dbraw/zinc/67/67/62/884676762.db2.gz CPKIKAQBSFXPBQ-UHFFFAOYSA-N 2 2 268.365 -0.341 20 0 CBADLP Cc1nnc(C[NH2+]CCNC(=O)C[N@H+](C)C(C)C)[nH]1 ZINC001152426093 884676765 /nfs/dbraw/zinc/67/67/65/884676765.db2.gz CPKIKAQBSFXPBQ-UHFFFAOYSA-N 2 2 268.365 -0.341 20 0 CBADLP CC[N@@H+](C)CCC(=O)NCC1([NH2+]Cc2cnn(C)n2)CC1 ZINC001446256705 912850185 /nfs/dbraw/zinc/85/01/85/912850185.db2.gz HXLVAQJTIJYCBT-UHFFFAOYSA-N 2 2 294.403 -0.105 20 0 CBADLP CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001210303296 884761904 /nfs/dbraw/zinc/76/19/04/884761904.db2.gz JQXSIDPJRWJMAM-NSHDSACASA-N 2 2 293.371 -0.331 20 0 CBADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)C[C@H](O)C[NH2+]CCF ZINC001278817061 884820071 /nfs/dbraw/zinc/82/00/71/884820071.db2.gz MHAPOGUCASWEIS-CMPLNLGQSA-N 2 2 286.351 -0.033 20 0 CBADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)C[C@H](O)C[NH2+]CCF ZINC001278817061 884820085 /nfs/dbraw/zinc/82/00/85/884820085.db2.gz MHAPOGUCASWEIS-CMPLNLGQSA-N 2 2 286.351 -0.033 20 0 CBADLP CN(C)C(=O)C[NH2+]CCCN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001322541077 884834271 /nfs/dbraw/zinc/83/42/71/884834271.db2.gz YJFLXPCEEIUTTA-UHFFFAOYSA-N 2 2 295.387 -0.131 20 0 CBADLP CN(C)C(=O)C[NH2+]CCCN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001322541077 884834287 /nfs/dbraw/zinc/83/42/87/884834287.db2.gz YJFLXPCEEIUTTA-UHFFFAOYSA-N 2 2 295.387 -0.131 20 0 CBADLP CC[NH2+]CCN(CCO)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001326044790 884885756 /nfs/dbraw/zinc/88/57/56/884885756.db2.gz IAQQLGBVJMZFSE-LBPRGKRZSA-N 2 2 280.372 -0.124 20 0 CBADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)C[C@@H]([NH3+])C1CC1 ZINC001326557307 885063188 /nfs/dbraw/zinc/06/31/88/885063188.db2.gz UGIHJGGHFZOHFL-GHMZBOCLSA-N 2 2 269.345 -0.523 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)C[C@H]([NH3+])C1CC1 ZINC001326557310 885065196 /nfs/dbraw/zinc/06/51/96/885065196.db2.gz UGIHJGGHFZOHFL-QWRGUYRKSA-N 2 2 269.345 -0.523 20 0 CBADLP COCCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001326667596 885107424 /nfs/dbraw/zinc/10/74/24/885107424.db2.gz NPGBZKOKWCKMJQ-UONOGXRCSA-N 2 2 299.415 -0.208 20 0 CBADLP COCCC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001326667596 885107432 /nfs/dbraw/zinc/10/74/32/885107432.db2.gz NPGBZKOKWCKMJQ-UONOGXRCSA-N 2 2 299.415 -0.208 20 0 CBADLP COCCC[NH+]1CCOC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001326667596 885107440 /nfs/dbraw/zinc/10/74/40/885107440.db2.gz NPGBZKOKWCKMJQ-UONOGXRCSA-N 2 2 299.415 -0.208 20 0 CBADLP COCCC[NH+]1CCOC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001326667596 885107446 /nfs/dbraw/zinc/10/74/46/885107446.db2.gz NPGBZKOKWCKMJQ-UONOGXRCSA-N 2 2 299.415 -0.208 20 0 CBADLP NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CC[NH2+]C2CC2)C1 ZINC001327132160 885269192 /nfs/dbraw/zinc/26/91/92/885269192.db2.gz XMGQBKHRFMGHAV-LLVKDONJSA-N 2 2 268.361 -0.806 20 0 CBADLP NC(=O)C[N@H+]1CCC[C@@H](NC(=O)CC[NH2+]C2CC2)C1 ZINC001327132160 885269213 /nfs/dbraw/zinc/26/92/13/885269213.db2.gz XMGQBKHRFMGHAV-LLVKDONJSA-N 2 2 268.361 -0.806 20 0 CBADLP C[C@]1(C2CC[NH+](C[C@@H]3C[NH2+]CCO3)CC2)NC(=O)NC1=O ZINC001327597364 885423162 /nfs/dbraw/zinc/42/31/62/885423162.db2.gz RDGYQGHETSQCQN-SMDDNHRTSA-N 2 2 296.371 -0.715 20 0 CBADLP CC[NH2+][C@@]1(CO)CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001327596762 885423298 /nfs/dbraw/zinc/42/32/98/885423298.db2.gz XQWMWXLHTIRRAY-ZDUSSCGKSA-N 2 2 266.345 -0.085 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NCC1(O)C[NH+](CC2CC2)C1 ZINC001446854102 912968205 /nfs/dbraw/zinc/96/82/05/912968205.db2.gz LAASBGLAVSBBCH-UHFFFAOYSA-N 2 2 278.356 -0.236 20 0 CBADLP Cc1cc(C)c(CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)c[nH+]1 ZINC001329058943 885906401 /nfs/dbraw/zinc/90/64/01/885906401.db2.gz DQXVCPKOAWJCBA-GFCCVEGCSA-N 2 2 276.340 -0.207 20 0 CBADLP C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H](C)[NH2+]CCCO ZINC001329152731 885953122 /nfs/dbraw/zinc/95/31/22/885953122.db2.gz SKPMTBIDYGSSOV-VHSXEESVSA-N 2 2 254.334 -0.183 20 0 CBADLP COC(=O)[C@H]([NH3+])Cc1cn(CC[NH+]2CCCC2)nn1 ZINC001329316657 886010001 /nfs/dbraw/zinc/01/00/01/886010001.db2.gz VZWUYNOFNMFENT-LLVKDONJSA-N 2 2 267.333 -0.583 20 0 CBADLP O[C@@H]1COC[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001329376632 886036794 /nfs/dbraw/zinc/03/67/94/886036794.db2.gz VACBWHKBIVDHTH-FRRDWIJNSA-N 2 2 256.346 -0.411 20 0 CBADLP NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]([NH3+])C2CCC2)C1 ZINC001329564565 886125255 /nfs/dbraw/zinc/12/52/55/886125255.db2.gz OFBWHNGOSXQGNG-PWSUYJOCSA-N 2 2 268.361 -0.820 20 0 CBADLP Cc1nn(C)cc1C[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC001329597485 886136845 /nfs/dbraw/zinc/13/68/45/886136845.db2.gz WHDIKCACGBDCTK-UHFFFAOYSA-N 2 2 262.317 -0.027 20 0 CBADLP C[C@H](c1nc([C@H]2CCC[NH2+]2)no1)N1CC[NH2+]CC1=O ZINC001329632758 886153130 /nfs/dbraw/zinc/15/31/30/886153130.db2.gz OHBXEWQUSRFEAB-RKDXNWHRSA-N 2 2 265.317 -0.013 20 0 CBADLP C[NH2+]CCC(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC001330035279 886335001 /nfs/dbraw/zinc/33/50/01/886335001.db2.gz OCEJTOHULNEGCU-UHFFFAOYSA-N 2 2 268.405 -0.166 20 0 CBADLP [NH3+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCO1 ZINC001330592823 886493461 /nfs/dbraw/zinc/49/34/61/886493461.db2.gz HIIAOKLIPRZCAF-IVZWLZJFSA-N 2 2 250.302 -0.301 20 0 CBADLP [NH3+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCO1 ZINC001330592823 886493466 /nfs/dbraw/zinc/49/34/66/886493466.db2.gz HIIAOKLIPRZCAF-IVZWLZJFSA-N 2 2 250.302 -0.301 20 0 CBADLP CN(CCOCC[NH3+])C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001330625239 886508028 /nfs/dbraw/zinc/50/80/28/886508028.db2.gz LWPUOJFEPYRDPY-NXEZZACHSA-N 2 2 252.318 -0.053 20 0 CBADLP CN(CCOCC[NH3+])C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001330625239 886508037 /nfs/dbraw/zinc/50/80/37/886508037.db2.gz LWPUOJFEPYRDPY-NXEZZACHSA-N 2 2 252.318 -0.053 20 0 CBADLP COCC[N@@H+]1CC[C@@H](NC(=O)c2ncoc2C[NH3+])C1 ZINC001330880964 886614081 /nfs/dbraw/zinc/61/40/81/886614081.db2.gz XLSYRNCBGGAQDS-SECBINFHSA-N 2 2 268.317 -0.416 20 0 CBADLP COCC[N@H+]1CC[C@@H](NC(=O)c2ncoc2C[NH3+])C1 ZINC001330880964 886614087 /nfs/dbraw/zinc/61/40/87/886614087.db2.gz XLSYRNCBGGAQDS-SECBINFHSA-N 2 2 268.317 -0.416 20 0 CBADLP C[NH+](C)CCONC(=O)c1cc(C[NH+](C)C)on1 ZINC001331216780 886732297 /nfs/dbraw/zinc/73/22/97/886732297.db2.gz IWPSBHLDFDCGGO-UHFFFAOYSA-N 2 2 256.306 -0.041 20 0 CBADLP [NH3+]C[C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CCO1 ZINC001331224776 886739397 /nfs/dbraw/zinc/73/93/97/886739397.db2.gz KHUFSFXABNSYKF-WDEREUQCSA-N 2 2 264.329 -0.368 20 0 CBADLP CCC[N@H+](C)CC(=O)N[C@H]1COC2(C[NH+](C[C@@H](C)O)C2)C1 ZINC001447420310 913076623 /nfs/dbraw/zinc/07/66/23/913076623.db2.gz VJUIITBMPJIBOK-CHWSQXEVSA-N 2 2 299.415 -0.332 20 0 CBADLP CCC[N@@H+](C)CC(=O)N[C@H]1COC2(C[NH+](C[C@@H](C)O)C2)C1 ZINC001447420310 913076632 /nfs/dbraw/zinc/07/66/32/913076632.db2.gz VJUIITBMPJIBOK-CHWSQXEVSA-N 2 2 299.415 -0.332 20 0 CBADLP CN(CCOCC[NH3+])C(=O)NCc1c[nH+]cn1C ZINC001331277089 886763501 /nfs/dbraw/zinc/76/35/01/886763501.db2.gz NTJGRKZRJFSZDT-UHFFFAOYSA-N 2 2 255.322 -0.463 20 0 CBADLP C[C@H]([NH3+])CCNC(=O)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001331320711 886774762 /nfs/dbraw/zinc/77/47/62/886774762.db2.gz WWBNSDVSUBCZJU-WDEREUQCSA-N 2 2 293.371 -0.031 20 0 CBADLP CCN(C(=O)[C@@H](C)N1CC[NH2+]CC1=O)[C@H]1CC[NH2+]C1 ZINC001331444065 886810761 /nfs/dbraw/zinc/81/07/61/886810761.db2.gz QBLJRNIDSXXQOG-MNOVXSKESA-N 2 2 268.361 -0.983 20 0 CBADLP CNC(=O)C[NH2+][C@H](C)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001331564931 886848118 /nfs/dbraw/zinc/84/81/18/886848118.db2.gz NUWOANTVAYFSRM-SECBINFHSA-N 2 2 267.333 -0.865 20 0 CBADLP C[C@H]1C[C@@H]([NH2+]CCOCCO)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001332026355 887087628 /nfs/dbraw/zinc/08/76/28/887087628.db2.gz JZLUWUONHHRKRN-WCQYABFASA-N 2 2 296.371 -0.460 20 0 CBADLP [NH3+]CCOCC[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC001332423853 887274246 /nfs/dbraw/zinc/27/42/46/887274246.db2.gz HFNCHFIQPSFZPB-UHFFFAOYSA-N 3 2 294.403 -0.464 20 0 CBADLP OC[C@@H]1C=CC[NH+]1CC1(C[N@H+]2CC=C[C@H]2CO)COC1 ZINC001333084302 887520291 /nfs/dbraw/zinc/52/02/91/887520291.db2.gz KDUWDDHQCVCNFF-KBPBESRZSA-N 2 2 280.368 -0.532 20 0 CBADLP OC[C@@H]1C=CC[NH+]1CC1(C[N@@H+]2CC=C[C@H]2CO)COC1 ZINC001333084302 887520299 /nfs/dbraw/zinc/52/02/99/887520299.db2.gz KDUWDDHQCVCNFF-KBPBESRZSA-N 2 2 280.368 -0.532 20 0 CBADLP C[C@@H](NC(=O)CCCn1cc[nH+]c1)[C@H](C)[NH2+]CC(N)=O ZINC001447943940 913174502 /nfs/dbraw/zinc/17/45/02/913174502.db2.gz QGVISBRHJJTYHR-WDEREUQCSA-N 2 2 281.360 -0.369 20 0 CBADLP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCCc1cn(C)c[nH+]1 ZINC001333914924 887805724 /nfs/dbraw/zinc/80/57/24/887805724.db2.gz VQPLCTAALJAHJZ-VHSXEESVSA-N 2 2 279.344 -0.973 20 0 CBADLP CNC(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001448057674 913203070 /nfs/dbraw/zinc/20/30/70/913203070.db2.gz GEGHXESDSGDNLU-VXGBXAGGSA-N 2 2 284.404 -0.347 20 0 CBADLP CNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001448057674 913203081 /nfs/dbraw/zinc/20/30/81/913203081.db2.gz GEGHXESDSGDNLU-VXGBXAGGSA-N 2 2 284.404 -0.347 20 0 CBADLP CNC(=O)C[NH+](C)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001448057674 913203098 /nfs/dbraw/zinc/20/30/98/913203098.db2.gz GEGHXESDSGDNLU-VXGBXAGGSA-N 2 2 284.404 -0.347 20 0 CBADLP CNC(=O)C[NH+](C)[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001448057674 913203115 /nfs/dbraw/zinc/20/31/15/913203115.db2.gz GEGHXESDSGDNLU-VXGBXAGGSA-N 2 2 284.404 -0.347 20 0 CBADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)CC(N)=O ZINC001448139940 913234678 /nfs/dbraw/zinc/23/46/78/913234678.db2.gz BCPJGSQXYIQWJZ-NWDGAFQWSA-N 2 2 284.404 -0.217 20 0 CBADLP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)CC(N)=O ZINC001448139940 913234692 /nfs/dbraw/zinc/23/46/92/913234692.db2.gz BCPJGSQXYIQWJZ-NWDGAFQWSA-N 2 2 284.404 -0.217 20 0 CBADLP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H](C)[N@H+](C)CC(N)=O ZINC001448139940 913234705 /nfs/dbraw/zinc/23/47/05/913234705.db2.gz BCPJGSQXYIQWJZ-NWDGAFQWSA-N 2 2 284.404 -0.217 20 0 CBADLP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H](C)[N@@H+](C)CC(N)=O ZINC001448139940 913234716 /nfs/dbraw/zinc/23/47/16/913234716.db2.gz BCPJGSQXYIQWJZ-NWDGAFQWSA-N 2 2 284.404 -0.217 20 0 CBADLP C[C@H]([NH3+])CN(C)C(=O)C(=O)NCCCCn1cc[nH+]c1 ZINC001335218048 888453694 /nfs/dbraw/zinc/45/36/94/888453694.db2.gz VVYVYBTUPQCLKI-NSHDSACASA-N 2 2 281.360 -0.415 20 0 CBADLP C[N@H+](C[C@@H](O)C[NH2+][C@@H]1CCCCNC1=O)C1CC1 ZINC001335350387 888512484 /nfs/dbraw/zinc/51/24/84/888512484.db2.gz DVOBEXWDUQDJLN-NWDGAFQWSA-N 2 2 255.362 -0.300 20 0 CBADLP C[N@@H+](C[C@@H](O)C[NH2+][C@@H]1CCCCNC1=O)C1CC1 ZINC001335350387 888512504 /nfs/dbraw/zinc/51/25/04/888512504.db2.gz DVOBEXWDUQDJLN-NWDGAFQWSA-N 2 2 255.362 -0.300 20 0 CBADLP C[C@@H]1CC[N@H+](CC[NH2+]C[C@@H](O)C2(O)CCOCC2)C1 ZINC001335445432 888534126 /nfs/dbraw/zinc/53/41/26/888534126.db2.gz RVZCMGNLUYKPQN-CHWSQXEVSA-N 2 2 272.389 -0.180 20 0 CBADLP C[C@@H]1CC[N@@H+](CC[NH2+]C[C@@H](O)C2(O)CCOCC2)C1 ZINC001335445432 888534130 /nfs/dbraw/zinc/53/41/30/888534130.db2.gz RVZCMGNLUYKPQN-CHWSQXEVSA-N 2 2 272.389 -0.180 20 0 CBADLP C[NH+](C)C[C@@](C)(O)C[NH2+]C[C@@H](O)C1(O)CCCC1 ZINC001335461251 888538573 /nfs/dbraw/zinc/53/85/73/888538573.db2.gz VEHKETAOFRCAAI-NEPJUHHUSA-N 2 2 260.378 -0.445 20 0 CBADLP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H]2C[C@@H]([NH+]3CCCC3)C2)CC1 ZINC001335520253 888553396 /nfs/dbraw/zinc/55/33/96/888553396.db2.gz SIMOFTUJORFITM-OWCLPIDISA-N 3 2 296.459 -0.189 20 0 CBADLP CN(CCC[NH3+])C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001335620991 888586463 /nfs/dbraw/zinc/58/64/63/888586463.db2.gz BVRQBDMNAHMTSX-UHFFFAOYSA-N 3 2 257.382 -0.600 20 0 CBADLP CNC(=O)CCCNC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001335953406 888660056 /nfs/dbraw/zinc/66/00/56/888660056.db2.gz DJBFPLZDTHVWRK-UHFFFAOYSA-N 2 2 285.392 -0.765 20 0 CBADLP COC[C@H](C)OC[C@H](O)C[NH2+][C@@H]1Cc2c[nH+]cn2C1 ZINC001336827724 888895635 /nfs/dbraw/zinc/89/56/35/888895635.db2.gz AZJBPVGWTDDSLM-DMDPSCGWSA-N 2 2 269.345 -0.190 20 0 CBADLP Nc1nc(N2CC[NH+](CCCCO)CC2)cc[nH+]1 ZINC001337048881 888953599 /nfs/dbraw/zinc/95/35/99/888953599.db2.gz JWHYUVBOFICDGZ-UHFFFAOYSA-N 2 2 251.334 -0.047 20 0 CBADLP [NH3+]Cc1nccnc1N1CC[NH+](CCCO)CC1 ZINC001337757781 889072893 /nfs/dbraw/zinc/07/28/93/889072893.db2.gz XNHDSBBCDPJWKV-UHFFFAOYSA-N 2 2 251.334 -0.560 20 0 CBADLP C[C@@H](C[NH3+])CNC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001338627510 889183980 /nfs/dbraw/zinc/18/39/80/889183980.db2.gz VESNADAQIOMBMM-JTQLQIEISA-N 3 2 257.382 -0.697 20 0 CBADLP C[C@H](CNC(=O)[C@H]1C[NH2+]CCN1C)Cn1cc[nH+]c1 ZINC001340043933 889370163 /nfs/dbraw/zinc/37/01/63/889370163.db2.gz DIODVRUVKRDJGB-VXGBXAGGSA-N 2 2 265.361 -0.461 20 0 CBADLP C[NH2+]C[C@H](O)[C@H](C)C(=O)NCCCCn1cc[nH+]c1 ZINC001340183682 889404897 /nfs/dbraw/zinc/40/48/97/889404897.db2.gz KKQBMQXWYKYJMZ-RYUDHWBXSA-N 2 2 268.361 -0.004 20 0 CBADLP O=C(NC[C@@H]1C[NH2+]CCO1)[C@H]1[NH2+]CCc2occc21 ZINC001340471343 889437490 /nfs/dbraw/zinc/43/74/90/889437490.db2.gz KAIVTFUNDOLTHH-CABZTGNLSA-N 2 2 265.313 -0.429 20 0 CBADLP C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001340746363 889479889 /nfs/dbraw/zinc/47/98/89/889479889.db2.gz GYGPUUHPZOZBDC-CMPLNLGQSA-N 2 2 266.345 -0.516 20 0 CBADLP O=C(C[C@]1(O)CCC[NH2+]C1)NCCn1cc[nH+]c1 ZINC001340791257 889486782 /nfs/dbraw/zinc/48/67/82/889486782.db2.gz MRVHNZPWZDSHRM-GFCCVEGCSA-N 2 2 252.318 -0.496 20 0 CBADLP C[NH2+]C[C@H](O)CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001340861003 889501100 /nfs/dbraw/zinc/50/11/00/889501100.db2.gz ATIVHDFFBTUBLY-MNOVXSKESA-N 2 2 254.334 -0.127 20 0 CBADLP CC[C@]1(C(=O)NCC[NH+]2CCC([NH3+])CC2)CC[NH2+]C1 ZINC001340941927 889519009 /nfs/dbraw/zinc/51/90/09/889519009.db2.gz FQQOWDYADGIFSI-AWEZNQCLSA-N 3 2 268.405 -0.085 20 0 CBADLP CC1(C)C[NH2+]C[C@@H]1C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001341055644 889535730 /nfs/dbraw/zinc/53/57/30/889535730.db2.gz DTJAXNIBDFDGNE-GFCCVEGCSA-N 3 2 268.405 -0.229 20 0 CBADLP C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH2+]CC(N)=O ZINC001448732595 913363542 /nfs/dbraw/zinc/36/35/42/913363542.db2.gz YBBDOLSURJMSPG-GMTAPVOTSA-N 2 2 293.371 -0.555 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N1CCNCC[NH2+]CC1 ZINC001341224972 889562924 /nfs/dbraw/zinc/56/29/24/889562924.db2.gz YREUZTAHHOMZAW-UHFFFAOYSA-N 2 2 251.334 -0.787 20 0 CBADLP C[C@@H](CN(C)C(=O)Cc1[nH]cc[nH+]1)[NH2+]CC(=O)N(C)C ZINC001448748964 913367274 /nfs/dbraw/zinc/36/72/74/913367274.db2.gz LEWZCUOKAXJWGS-JTQLQIEISA-N 2 2 281.360 -0.523 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)[C@@H]2CCCNC2=O)CC1 ZINC001341691351 889648439 /nfs/dbraw/zinc/64/84/39/889648439.db2.gz XCOVRUXFRIYSKL-LLVKDONJSA-N 2 2 268.361 -0.948 20 0 CBADLP C[NH2+][C@@H](CC(C)C)C(=O)N1CC[N@H+](C)C[C@H]1CO ZINC001341940112 889686428 /nfs/dbraw/zinc/68/64/28/889686428.db2.gz CNGKUJWLUNRBGP-RYUDHWBXSA-N 2 2 257.378 -0.245 20 0 CBADLP C[NH2+][C@@H](CC(C)C)C(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC001341940112 889686437 /nfs/dbraw/zinc/68/64/37/889686437.db2.gz CNGKUJWLUNRBGP-RYUDHWBXSA-N 2 2 257.378 -0.245 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H]1C[C@@H]1C[NH3+] ZINC001342195268 889728837 /nfs/dbraw/zinc/72/88/37/889728837.db2.gz BCEJGYIRIFFICL-QJPTWQEYSA-N 2 2 255.362 -0.240 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)C2=CCC[NH2+]CC2)CC1 ZINC001342461418 889781670 /nfs/dbraw/zinc/78/16/70/889781670.db2.gz HQDZFEDBWYINBD-UHFFFAOYSA-N 3 2 266.389 -0.165 20 0 CBADLP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001342462147 889782437 /nfs/dbraw/zinc/78/24/37/889782437.db2.gz PUOBNECXCBLEDZ-CMPLNLGQSA-N 3 2 254.378 -0.476 20 0 CBADLP CCC1(C(=O)NCC[NH+]2CCC([NH3+])CC2)COC1 ZINC001342548714 889791710 /nfs/dbraw/zinc/79/17/10/889791710.db2.gz HPKLZKKZVLORLW-UHFFFAOYSA-N 2 2 255.362 -0.048 20 0 CBADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)C1(C)C[NH2+]C1 ZINC001342606891 889801429 /nfs/dbraw/zinc/80/14/29/889801429.db2.gz IYQJTSXHAKRXHX-NSHDSACASA-N 2 2 255.362 -0.177 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)NC[C@@H]1CCCCC[NH2+]1 ZINC001342960998 889848453 /nfs/dbraw/zinc/84/84/53/889848453.db2.gz LKZMRVMRWLQMRS-NSHDSACASA-N 2 2 268.361 -0.933 20 0 CBADLP CC(C)OC[C@H]([NH3+])C(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC001343024997 889858699 /nfs/dbraw/zinc/85/86/99/889858699.db2.gz GSHSDBDZUNICCH-ZDUSSCGKSA-N 2 2 286.420 -0.556 20 0 CBADLP CC(C)OC[C@H]([NH3+])C(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC001343024997 889858714 /nfs/dbraw/zinc/85/87/14/889858714.db2.gz GSHSDBDZUNICCH-ZDUSSCGKSA-N 2 2 286.420 -0.556 20 0 CBADLP CCOCC[NH+]1CCN(C(=O)[C@@]2(C)C[C@@H](O)C[NH2+]2)CC1 ZINC001343372546 889896404 /nfs/dbraw/zinc/89/64/04/889896404.db2.gz SYPWAOXZJSRRKL-TZMCWYRMSA-N 2 2 285.388 -0.720 20 0 CBADLP CC[NH2+][C@H](CO)CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001448818929 913401376 /nfs/dbraw/zinc/40/13/76/913401376.db2.gz DXQDBQNQAZOCJX-LBPRGKRZSA-N 2 2 280.372 -0.152 20 0 CBADLP Cc1cc(C[NH3+])oc1C(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC001346229659 890245957 /nfs/dbraw/zinc/24/59/57/890245957.db2.gz VSDGQZOWFHVLPX-JTQLQIEISA-N 2 2 267.329 -0.205 20 0 CBADLP Cc1cc(C[NH3+])oc1C(=O)N1CC[N@H+](C)C[C@H]1CO ZINC001346229659 890245973 /nfs/dbraw/zinc/24/59/73/890245973.db2.gz VSDGQZOWFHVLPX-JTQLQIEISA-N 2 2 267.329 -0.205 20 0 CBADLP CC(C)[NH2+][C@H](CO)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001448863441 913431418 /nfs/dbraw/zinc/43/14/18/913431418.db2.gz VBZWGLPCRPVWGW-RYUDHWBXSA-N 2 2 280.372 -0.079 20 0 CBADLP C[C@@H](O)C[NH2+][C@H](CO)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001448873440 913436127 /nfs/dbraw/zinc/43/61/27/913436127.db2.gz HBPRKNIRNKYCDU-KOLCDFICSA-N 2 2 292.339 -0.376 20 0 CBADLP C[NH+](C)CC1(C(=O)NC[C@@H](CO)[NH2+]Cc2ccon2)CC1 ZINC001448891912 913444012 /nfs/dbraw/zinc/44/40/12/913444012.db2.gz FYIUBKFUXPCHMP-LBPRGKRZSA-N 2 2 296.371 -0.417 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H](CO)[NH2+]CC[C@H]1CCCO1 ZINC001448896189 913446703 /nfs/dbraw/zinc/44/67/03/913446703.db2.gz BHALUDVIGYCATH-CHWSQXEVSA-N 2 2 296.371 -0.412 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H](CO)[NH2+]CC[C@@H]1CCCO1 ZINC001448896213 913448360 /nfs/dbraw/zinc/44/83/60/913448360.db2.gz BHALUDVIGYCATH-OLZOCXBDSA-N 2 2 296.371 -0.412 20 0 CBADLP CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCCC[NH+](C)C ZINC001347540719 890479713 /nfs/dbraw/zinc/47/97/13/890479713.db2.gz AADBWMNPUXOXDM-LBPRGKRZSA-N 2 2 295.387 -0.085 20 0 CBADLP CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCCC[NH+](C)C ZINC001347540719 890479723 /nfs/dbraw/zinc/47/97/23/890479723.db2.gz AADBWMNPUXOXDM-LBPRGKRZSA-N 2 2 295.387 -0.085 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@@H](CO)[NH2+]Cc1cccnc1 ZINC001448959742 913471826 /nfs/dbraw/zinc/47/18/26/913471826.db2.gz XBNNCFJNLWNOMS-ZDUSSCGKSA-N 2 2 289.339 -0.455 20 0 CBADLP OCC[NH2+]C1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC001348562646 890650548 /nfs/dbraw/zinc/65/05/48/890650548.db2.gz MTMRBGKVDKQQIY-ZDUSSCGKSA-N 3 2 269.389 -0.446 20 0 CBADLP CNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001448995627 913478591 /nfs/dbraw/zinc/47/85/91/913478591.db2.gz JLWMALGFIIQQEG-JQWIXIFHSA-N 2 2 293.371 -0.333 20 0 CBADLP CNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001448995627 913478601 /nfs/dbraw/zinc/47/86/01/913478601.db2.gz JLWMALGFIIQQEG-JQWIXIFHSA-N 2 2 293.371 -0.333 20 0 CBADLP NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH2+]CC2)C1 ZINC001349473011 890820457 /nfs/dbraw/zinc/82/04/57/890820457.db2.gz KXTHHEJQHWGWIU-LLVKDONJSA-N 2 2 268.361 -0.948 20 0 CBADLP O=C1CCC(=O)N1CC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC001350393879 890975816 /nfs/dbraw/zinc/97/58/16/890975816.db2.gz CELOJFSWKJBZPM-ZDUSSCGKSA-N 2 2 295.383 -0.334 20 0 CBADLP O=C1CCC(=O)N1CC[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC001350393879 890975829 /nfs/dbraw/zinc/97/58/29/890975829.db2.gz CELOJFSWKJBZPM-ZDUSSCGKSA-N 2 2 295.383 -0.334 20 0 CBADLP CO[C@@H](C)C[NH2+]C[C@@H](O)CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001449168528 913525461 /nfs/dbraw/zinc/52/54/61/913525461.db2.gz FPYBHZIBBGAEAS-CMPLNLGQSA-N 2 2 298.387 -0.296 20 0 CBADLP CN(CCNC(=O)CC[NH+](C)C)C(=O)Cc1c[nH+]cn1C ZINC001449190323 913537247 /nfs/dbraw/zinc/53/72/47/913537247.db2.gz NQZXMUUYVDYUGT-UHFFFAOYSA-N 2 2 295.387 -0.511 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N(C)C[C@@H](O)C[NH2+]Cc1cnon1 ZINC001449198998 913540778 /nfs/dbraw/zinc/54/07/78/913540778.db2.gz VXZVSYGOYSRWEU-LBPRGKRZSA-N 2 2 299.375 -0.681 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H](O)C[NH2+]Cc1cnon1 ZINC001449198998 913540788 /nfs/dbraw/zinc/54/07/88/913540788.db2.gz VXZVSYGOYSRWEU-LBPRGKRZSA-N 2 2 299.375 -0.681 20 0 CBADLP C[C@@H](CC(=O)N(C)C[C@@H](O)C[N@H+](C)CCO)n1cc[nH+]c1 ZINC001449234896 913556339 /nfs/dbraw/zinc/55/63/39/913556339.db2.gz QDZFOMPBEMDZLL-STQMWFEESA-N 2 2 298.387 -0.422 20 0 CBADLP C[C@@H](CC(=O)N(C)C[C@@H](O)C[N@@H+](C)CCO)n1cc[nH+]c1 ZINC001449234896 913556347 /nfs/dbraw/zinc/55/63/47/913556347.db2.gz QDZFOMPBEMDZLL-STQMWFEESA-N 2 2 298.387 -0.422 20 0 CBADLP CC[NH+]1CCN(CCCCNC(=O)[C@@H]([NH3+])COC)CC1 ZINC001353584444 891449741 /nfs/dbraw/zinc/44/97/41/891449741.db2.gz WKSMGHXZHYYQHX-ZDUSSCGKSA-N 2 2 286.420 -0.506 20 0 CBADLP CC(C)(C)[C@H](C[NH2+]CC(N)=O)NC(=O)CCn1cc[nH+]c1 ZINC001449300832 913564368 /nfs/dbraw/zinc/56/43/68/913564368.db2.gz XJJWQHHZODGHKH-NSHDSACASA-N 2 2 295.387 -0.121 20 0 CBADLP C[C@@H](O)C[N@@H+]1CCN(c2cc[nH+]c(N)n2)[C@@H](C)C1 ZINC001354167924 891527471 /nfs/dbraw/zinc/52/74/71/891527471.db2.gz RHFNEVVDEYRCLL-VHSXEESVSA-N 2 2 251.334 -0.050 20 0 CBADLP C[C@@H](O)C[N@H+]1CCN(c2cc[nH+]c(N)n2)[C@@H](C)C1 ZINC001354167924 891527483 /nfs/dbraw/zinc/52/74/83/891527483.db2.gz RHFNEVVDEYRCLL-VHSXEESVSA-N 2 2 251.334 -0.050 20 0 CBADLP C[NH2+]CCCCC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC001354369044 891571748 /nfs/dbraw/zinc/57/17/48/891571748.db2.gz DMEMALVHNGMZRC-ZDUSSCGKSA-N 2 2 287.404 -0.472 20 0 CBADLP C[C@@]1(NC(=O)NCC[NH+]2CCC([NH3+])CC2)CC[NH2+]C1 ZINC001357581592 891912477 /nfs/dbraw/zinc/91/24/77/891912477.db2.gz HMJSGEUMAXZKQY-CYBMUJFWSA-N 3 2 269.393 -0.539 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CCN(CC[NH+](C)C)CC1 ZINC001361749821 892217802 /nfs/dbraw/zinc/21/78/02/892217802.db2.gz XIPIXEROTALDFF-UHFFFAOYSA-N 2 2 279.388 -0.034 20 0 CBADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)[C@@H](C)C[N@@H+]1CCO ZINC001362790333 893034374 /nfs/dbraw/zinc/03/43/74/893034374.db2.gz OJMZHZNYYLXYAS-NEPJUHHUSA-N 2 2 280.372 -0.124 20 0 CBADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)[C@@H](C)C[N@H+]1CCO ZINC001362790333 893034395 /nfs/dbraw/zinc/03/43/95/893034395.db2.gz OJMZHZNYYLXYAS-NEPJUHHUSA-N 2 2 280.372 -0.124 20 0 CBADLP CC[N@@H+]1CC[C@@H]1C(=O)NCC(=O)NCC[NH+]1CCCCC1 ZINC001362822053 893076727 /nfs/dbraw/zinc/07/67/27/893076727.db2.gz GKPBQZNQVJUBNW-CYBMUJFWSA-N 2 2 296.415 -0.201 20 0 CBADLP CC[N@H+]1CC[C@@H]1C(=O)NCC(=O)NCC[NH+]1CCCCC1 ZINC001362822053 893076747 /nfs/dbraw/zinc/07/67/47/893076747.db2.gz GKPBQZNQVJUBNW-CYBMUJFWSA-N 2 2 296.415 -0.201 20 0 CBADLP Cn1c[nH+]c(CCNC(=O)C[N@H+](C)[C@@H]2CCC[C@H]2O)c1 ZINC001451042506 913764059 /nfs/dbraw/zinc/76/40/59/913764059.db2.gz SCINEPXPSWCZBO-CHWSQXEVSA-N 2 2 280.372 -0.076 20 0 CBADLP Cn1c[nH+]c(CCNC(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2O)c1 ZINC001451042506 913764077 /nfs/dbraw/zinc/76/40/77/913764077.db2.gz SCINEPXPSWCZBO-CHWSQXEVSA-N 2 2 280.372 -0.076 20 0 CBADLP CCOC(=O)NCC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC001363475557 893716027 /nfs/dbraw/zinc/71/60/27/893716027.db2.gz MJZDHCXYIYDXLW-UHFFFAOYSA-N 2 2 288.392 -0.268 20 0 CBADLP CCOC(=O)NCC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC001363475557 893716037 /nfs/dbraw/zinc/71/60/37/893716037.db2.gz MJZDHCXYIYDXLW-UHFFFAOYSA-N 2 2 288.392 -0.268 20 0 CBADLP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCc1c[nH+]c2n1CCC2 ZINC001363569302 893803557 /nfs/dbraw/zinc/80/35/57/893803557.db2.gz GSBVQNSPNUCXNZ-RISCZKNCSA-N 2 2 278.356 -0.099 20 0 CBADLP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCc1c[nH+]c2n1CCC2 ZINC001363569302 893803576 /nfs/dbraw/zinc/80/35/76/893803576.db2.gz GSBVQNSPNUCXNZ-RISCZKNCSA-N 2 2 278.356 -0.099 20 0 CBADLP C[N@@H+]1CCC[C@](O)(CC(=O)N[C@H](CO)Cc2c[nH]c[nH+]2)C1 ZINC001363663080 893893391 /nfs/dbraw/zinc/89/33/91/893893391.db2.gz XGJSGLJOIIBREY-JSGCOSHPSA-N 2 2 296.371 -0.724 20 0 CBADLP C[N@H+]1CCC[C@](O)(CC(=O)N[C@H](CO)Cc2c[nH]c[nH+]2)C1 ZINC001363663080 893893406 /nfs/dbraw/zinc/89/34/06/893893406.db2.gz XGJSGLJOIIBREY-JSGCOSHPSA-N 2 2 296.371 -0.724 20 0 CBADLP C[N@@H+]1CCC[C@](O)(CC(=O)N[C@H](CO)Cc2c[nH+]c[nH]2)C1 ZINC001363663080 893893426 /nfs/dbraw/zinc/89/34/26/893893426.db2.gz XGJSGLJOIIBREY-JSGCOSHPSA-N 2 2 296.371 -0.724 20 0 CBADLP C[N@H+]1CCC[C@](O)(CC(=O)N[C@H](CO)Cc2c[nH+]c[nH]2)C1 ZINC001363663080 893893446 /nfs/dbraw/zinc/89/34/46/893893446.db2.gz XGJSGLJOIIBREY-JSGCOSHPSA-N 2 2 296.371 -0.724 20 0 CBADLP C[C@@H]1C[N@H+](CCO)CCN1C(=O)CC[NH+]1CCOCC1 ZINC001451355970 913825181 /nfs/dbraw/zinc/82/51/81/913825181.db2.gz PGSWWBGJSBDCMN-CYBMUJFWSA-N 2 2 285.388 -0.766 20 0 CBADLP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)CC[NH+]1CCOCC1 ZINC001451355970 913825197 /nfs/dbraw/zinc/82/51/97/913825197.db2.gz PGSWWBGJSBDCMN-CYBMUJFWSA-N 2 2 285.388 -0.766 20 0 CBADLP C[C@H]1C[C@H](NS(=O)(=O)N2CC[NH+](C)CC2)CC[N@@H+]1C ZINC001363934411 894103577 /nfs/dbraw/zinc/10/35/77/894103577.db2.gz BKYBADDATCMSJU-NWDGAFQWSA-N 2 2 290.433 -0.449 20 0 CBADLP C[C@H]1C[C@H](NS(=O)(=O)N2CC[NH+](C)CC2)CC[N@H+]1C ZINC001363934411 894103583 /nfs/dbraw/zinc/10/35/83/894103583.db2.gz BKYBADDATCMSJU-NWDGAFQWSA-N 2 2 290.433 -0.449 20 0 CBADLP CN(C1CC[NH+](C)CC1)S(=O)(=O)N1CC[NH+](C)CC1 ZINC001363938971 894105405 /nfs/dbraw/zinc/10/54/05/894105405.db2.gz XKSJUPPDSNGPLZ-UHFFFAOYSA-N 2 2 290.433 -0.495 20 0 CBADLP C[C@@H](CN1CC[N@H+](CCO)C[C@@H]1C)C[NH+]1CCOCC1 ZINC001364415030 894398745 /nfs/dbraw/zinc/39/87/45/894398745.db2.gz MAIXOTMCFORSDY-CABCVRRESA-N 2 2 285.432 -0.047 20 0 CBADLP C[C@@H](CN1CC[N@@H+](CCO)C[C@@H]1C)C[NH+]1CCOCC1 ZINC001364415030 894398762 /nfs/dbraw/zinc/39/87/62/894398762.db2.gz MAIXOTMCFORSDY-CABCVRRESA-N 2 2 285.432 -0.047 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCn3nccc3C2)CC1 ZINC001364478837 894451330 /nfs/dbraw/zinc/45/13/30/894451330.db2.gz NDEOBEKGGSAQHO-UHFFFAOYSA-N 2 2 277.372 -0.137 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCn3nccc3C2)CC1 ZINC001364478837 894451343 /nfs/dbraw/zinc/45/13/43/894451343.db2.gz NDEOBEKGGSAQHO-UHFFFAOYSA-N 2 2 277.372 -0.137 20 0 CBADLP CCc1[nH]c(CNC(=O)[C@@H]2C[N@@H+]3CCN2C[C@@H]3C)c[nH+]1 ZINC001364949219 894696760 /nfs/dbraw/zinc/69/67/60/894696760.db2.gz OQPNHHUGKYOXFV-JQWIXIFHSA-N 2 2 277.372 -0.023 20 0 CBADLP CCc1[nH]c(CNC(=O)[C@@H]2C[N@H+]3CCN2C[C@@H]3C)c[nH+]1 ZINC001364949219 894696768 /nfs/dbraw/zinc/69/67/68/894696768.db2.gz OQPNHHUGKYOXFV-JQWIXIFHSA-N 2 2 277.372 -0.023 20 0 CBADLP CCc1[nH]cc(CNC(=O)[C@@H]2C[N@@H+]3CCN2C[C@@H]3C)[nH+]1 ZINC001364949219 894696777 /nfs/dbraw/zinc/69/67/77/894696777.db2.gz OQPNHHUGKYOXFV-JQWIXIFHSA-N 2 2 277.372 -0.023 20 0 CBADLP CCc1[nH]cc(CNC(=O)[C@@H]2C[N@H+]3CCN2C[C@@H]3C)[nH+]1 ZINC001364949219 894696787 /nfs/dbraw/zinc/69/67/87/894696787.db2.gz OQPNHHUGKYOXFV-JQWIXIFHSA-N 2 2 277.372 -0.023 20 0 CBADLP C[C@@H]1COCC[NH+]1CCN1CC[N@@H+](CCO)C[C@@H]1C ZINC001365308723 894887583 /nfs/dbraw/zinc/88/75/83/894887583.db2.gz FRMMBWUEBGTPBD-UONOGXRCSA-N 2 2 271.405 -0.295 20 0 CBADLP C[C@@H]1COCC[NH+]1CCN1CC[N@H+](CCO)C[C@@H]1C ZINC001365308723 894887596 /nfs/dbraw/zinc/88/75/96/894887596.db2.gz FRMMBWUEBGTPBD-UONOGXRCSA-N 2 2 271.405 -0.295 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCN1CC[NH+](CCO)C[C@@H]1C ZINC001365308723 894887620 /nfs/dbraw/zinc/88/76/20/894887620.db2.gz FRMMBWUEBGTPBD-UONOGXRCSA-N 2 2 271.405 -0.295 20 0 CBADLP CN(C[C@@H]1CC[N@@H+]1[C@H]1CCNC1=O)C(=O)CC[NH+](C)C ZINC001365787531 895123494 /nfs/dbraw/zinc/12/34/94/895123494.db2.gz BFWZOPXCCQSZBN-RYUDHWBXSA-N 2 2 282.388 -0.641 20 0 CBADLP CN(C[C@@H]1CC[N@H+]1[C@H]1CCNC1=O)C(=O)CC[NH+](C)C ZINC001365787531 895123499 /nfs/dbraw/zinc/12/34/99/895123499.db2.gz BFWZOPXCCQSZBN-RYUDHWBXSA-N 2 2 282.388 -0.641 20 0 CBADLP C[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)C1)C(N)=O ZINC001365807211 895125672 /nfs/dbraw/zinc/12/56/72/895125672.db2.gz ALAAZBSDPJKFEK-FOGDFJRCSA-N 2 2 293.371 -0.300 20 0 CBADLP C[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)C1)C(N)=O ZINC001365807211 895125679 /nfs/dbraw/zinc/12/56/79/895125679.db2.gz ALAAZBSDPJKFEK-FOGDFJRCSA-N 2 2 293.371 -0.300 20 0 CBADLP CNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001365815088 895126542 /nfs/dbraw/zinc/12/65/42/895126542.db2.gz VDAMBRKQNCQEGE-KLPPZKSPSA-N 2 2 293.371 -0.427 20 0 CBADLP CNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001365815088 895126549 /nfs/dbraw/zinc/12/65/49/895126549.db2.gz VDAMBRKQNCQEGE-KLPPZKSPSA-N 2 2 293.371 -0.427 20 0 CBADLP CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001365973704 895156420 /nfs/dbraw/zinc/15/64/20/895156420.db2.gz QBCNVYTWCIGLIP-NWDGAFQWSA-N 2 2 282.388 -0.593 20 0 CBADLP CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001365973704 895156427 /nfs/dbraw/zinc/15/64/27/895156427.db2.gz QBCNVYTWCIGLIP-NWDGAFQWSA-N 2 2 282.388 -0.593 20 0 CBADLP CCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001365973704 895156434 /nfs/dbraw/zinc/15/64/34/895156434.db2.gz QBCNVYTWCIGLIP-NWDGAFQWSA-N 2 2 282.388 -0.593 20 0 CBADLP CCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001365973704 895156435 /nfs/dbraw/zinc/15/64/35/895156435.db2.gz QBCNVYTWCIGLIP-NWDGAFQWSA-N 2 2 282.388 -0.593 20 0 CBADLP CC[C@H](C(=O)N[C@H]1CC[N@H+](CC(=O)N2CCC2)C1)[NH+](C)C ZINC001366001577 895172104 /nfs/dbraw/zinc/17/21/04/895172104.db2.gz CZHIINQQKIXZTO-QWHCGFSZSA-N 2 2 296.415 -0.251 20 0 CBADLP CC[C@H](C(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCC2)C1)[NH+](C)C ZINC001366001577 895172111 /nfs/dbraw/zinc/17/21/11/895172111.db2.gz CZHIINQQKIXZTO-QWHCGFSZSA-N 2 2 296.415 -0.251 20 0 CBADLP COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001366104245 895190355 /nfs/dbraw/zinc/19/03/55/895190355.db2.gz JBQNTUCUBCNFCO-AAEUAGOBSA-N 2 2 296.371 -0.840 20 0 CBADLP COC[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001366144622 895206267 /nfs/dbraw/zinc/20/62/67/895206267.db2.gz CRJRPCRRLXLMFH-XQQFMLRXSA-N 2 2 296.371 -0.414 20 0 CBADLP COC[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001366144622 895206284 /nfs/dbraw/zinc/20/62/84/895206284.db2.gz CRJRPCRRLXLMFH-XQQFMLRXSA-N 2 2 296.371 -0.414 20 0 CBADLP C[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001366167651 895212266 /nfs/dbraw/zinc/21/22/66/895212266.db2.gz WUXMDLUBQMILRI-UTUOFQBUSA-N 2 2 280.372 -0.030 20 0 CBADLP NC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001366216287 895220966 /nfs/dbraw/zinc/22/09/66/895220966.db2.gz OHNOTKQPYMACFN-GFCCVEGCSA-N 2 2 293.371 -0.202 20 0 CBADLP NC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001366216287 895220978 /nfs/dbraw/zinc/22/09/78/895220978.db2.gz OHNOTKQPYMACFN-GFCCVEGCSA-N 2 2 293.371 -0.202 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC[C@H]1CCCC[N@@H+]1CC(N)=O ZINC001366207639 895221046 /nfs/dbraw/zinc/22/10/46/895221046.db2.gz JPTGKNWJLBSXMX-GFCCVEGCSA-N 2 2 293.371 -0.352 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC[C@H]1CCCC[N@H+]1CC(N)=O ZINC001366207639 895221056 /nfs/dbraw/zinc/22/10/56/895221056.db2.gz JPTGKNWJLBSXMX-GFCCVEGCSA-N 2 2 293.371 -0.352 20 0 CBADLP C[C@H](CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1)[NH2+]CCO ZINC001366286679 895259629 /nfs/dbraw/zinc/25/96/29/895259629.db2.gz HYXDWYZWMVRWOE-MFKMUULPSA-N 2 2 295.387 -0.123 20 0 CBADLP C[C@H](CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1)[NH2+]CCO ZINC001366286679 895259639 /nfs/dbraw/zinc/25/96/39/895259639.db2.gz HYXDWYZWMVRWOE-MFKMUULPSA-N 2 2 295.387 -0.123 20 0 CBADLP CC[C@@H](C(=O)NC[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1)[NH+](C)C ZINC001366324882 895274457 /nfs/dbraw/zinc/27/44/57/895274457.db2.gz NFKYEUKVTSADQW-UWVGGRQHSA-N 2 2 298.391 -0.957 20 0 CBADLP C[C@H](CNC(=O)CCC[NH+](C)C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001366333126 895281141 /nfs/dbraw/zinc/28/11/41/895281141.db2.gz WIVOLUBPEBKIDQ-SNVBAGLBSA-N 2 2 298.391 -0.956 20 0 CBADLP CN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001366388847 895307664 /nfs/dbraw/zinc/30/76/64/895307664.db2.gz RZZUQDVWXGRGCJ-NSHDSACASA-N 2 2 293.371 -0.759 20 0 CBADLP CC[C@@H]([NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1)C(N)=O ZINC001366412936 895317009 /nfs/dbraw/zinc/31/70/09/895317009.db2.gz VFALGZBCMZKLCC-NWDGAFQWSA-N 2 2 293.371 -0.415 20 0 CBADLP C[C@H](CCNC(=O)CCn1cc[nH+]c1)[NH2+][C@@H](C)C(N)=O ZINC001366471912 895326562 /nfs/dbraw/zinc/32/65/62/895326562.db2.gz LKJAXNBHYSDROB-MNOVXSKESA-N 2 2 281.360 -0.369 20 0 CBADLP C[C@@H]1[C@H](C(=O)NCC[NH+](C)CC(=O)N2CCC2)CC[N@@H+]1C ZINC001366526220 895357599 /nfs/dbraw/zinc/35/75/99/895357599.db2.gz DDTAJLPRTJAODI-CHWSQXEVSA-N 2 2 296.415 -0.393 20 0 CBADLP C[C@@H]1[C@H](C(=O)NCC[NH+](C)CC(=O)N2CCC2)CC[N@H+]1C ZINC001366526220 895357616 /nfs/dbraw/zinc/35/76/16/895357616.db2.gz DDTAJLPRTJAODI-CHWSQXEVSA-N 2 2 296.415 -0.393 20 0 CBADLP C[C@@H]1[C@H](C(=O)NCC[N@H+](C)CC(=O)N2CCC2)CC[NH+]1C ZINC001366526220 895357631 /nfs/dbraw/zinc/35/76/31/895357631.db2.gz DDTAJLPRTJAODI-CHWSQXEVSA-N 2 2 296.415 -0.393 20 0 CBADLP C[C@@H]1[C@H](C(=O)NCC[N@@H+](C)CC(=O)N2CCC2)CC[NH+]1C ZINC001366526220 895357646 /nfs/dbraw/zinc/35/76/46/895357646.db2.gz DDTAJLPRTJAODI-CHWSQXEVSA-N 2 2 296.415 -0.393 20 0 CBADLP C[C@H](O)C[N@H+](C)CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001366546119 895366495 /nfs/dbraw/zinc/36/64/95/895366495.db2.gz MNWGGJLWCQMUFE-NWDGAFQWSA-N 2 2 280.372 -0.126 20 0 CBADLP C[C@H](O)C[N@@H+](C)CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001366546119 895366509 /nfs/dbraw/zinc/36/65/09/895366509.db2.gz MNWGGJLWCQMUFE-NWDGAFQWSA-N 2 2 280.372 -0.126 20 0 CBADLP CNC(=O)[C@H](C)[N@H+](C)CCNC(=O)Cn1c[nH+]cc1C ZINC001366550311 895376100 /nfs/dbraw/zinc/37/61/00/895376100.db2.gz JIYZNMLYPTVPIH-NSHDSACASA-N 2 2 281.360 -0.626 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)Cn1c[nH+]cc1C ZINC001366550311 895376118 /nfs/dbraw/zinc/37/61/18/895376118.db2.gz JIYZNMLYPTVPIH-NSHDSACASA-N 2 2 281.360 -0.626 20 0 CBADLP C[NH+](C)Cc1cc(C(=O)NCC[N@H+](C)CCCO)no1 ZINC001366553831 895376328 /nfs/dbraw/zinc/37/63/28/895376328.db2.gz XFGYEYZBURVLRD-UHFFFAOYSA-N 2 2 284.360 -0.220 20 0 CBADLP C[NH+](C)Cc1cc(C(=O)NCC[N@@H+](C)CCCO)no1 ZINC001366553831 895376343 /nfs/dbraw/zinc/37/63/43/895376343.db2.gz XFGYEYZBURVLRD-UHFFFAOYSA-N 2 2 284.360 -0.220 20 0 CBADLP C[N@H+](CCNC(=O)Cc1[nH]cc[nH+]1)CCn1cncn1 ZINC001366575734 895390334 /nfs/dbraw/zinc/39/03/34/895390334.db2.gz INVVERSTBBYXHZ-UHFFFAOYSA-N 2 2 277.332 -0.708 20 0 CBADLP C[N@@H+](CCNC(=O)Cc1[nH]cc[nH+]1)CCn1cncn1 ZINC001366575734 895390346 /nfs/dbraw/zinc/39/03/46/895390346.db2.gz INVVERSTBBYXHZ-UHFFFAOYSA-N 2 2 277.332 -0.708 20 0 CBADLP CCCNC(=O)C[N@H+](C)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001366567887 895392366 /nfs/dbraw/zinc/39/23/66/895392366.db2.gz XRBGXYOADGNOJZ-ZDUSSCGKSA-N 2 2 298.431 -0.098 20 0 CBADLP CCCNC(=O)C[N@@H+](C)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001366567887 895392383 /nfs/dbraw/zinc/39/23/83/895392383.db2.gz XRBGXYOADGNOJZ-ZDUSSCGKSA-N 2 2 298.431 -0.098 20 0 CBADLP CCCNC(=O)C[NH+](C)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001366567887 895392397 /nfs/dbraw/zinc/39/23/97/895392397.db2.gz XRBGXYOADGNOJZ-ZDUSSCGKSA-N 2 2 298.431 -0.098 20 0 CBADLP CCCNC(=O)C[NH+](C)CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001366567887 895392411 /nfs/dbraw/zinc/39/24/11/895392411.db2.gz XRBGXYOADGNOJZ-ZDUSSCGKSA-N 2 2 298.431 -0.098 20 0 CBADLP C[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)CC(=O)NC1CC1 ZINC001366590618 895402505 /nfs/dbraw/zinc/40/25/05/895402505.db2.gz BRNCQOPYXXJSTQ-LLVKDONJSA-N 2 2 282.388 -0.735 20 0 CBADLP C[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)CC(=O)NC1CC1 ZINC001366590618 895402495 /nfs/dbraw/zinc/40/24/95/895402495.db2.gz BRNCQOPYXXJSTQ-LLVKDONJSA-N 2 2 282.388 -0.735 20 0 CBADLP C[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)CC(=O)NC1CC1 ZINC001366590618 895402502 /nfs/dbraw/zinc/40/25/02/895402502.db2.gz BRNCQOPYXXJSTQ-LLVKDONJSA-N 2 2 282.388 -0.735 20 0 CBADLP C[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)CC(=O)NC1CC1 ZINC001366590618 895402510 /nfs/dbraw/zinc/40/25/10/895402510.db2.gz BRNCQOPYXXJSTQ-LLVKDONJSA-N 2 2 282.388 -0.735 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001366674916 895426937 /nfs/dbraw/zinc/42/69/37/895426937.db2.gz GBBQYDHFCTVUBJ-GHMZBOCLSA-N 2 2 279.344 -0.663 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001366674916 895426941 /nfs/dbraw/zinc/42/69/41/895426941.db2.gz GBBQYDHFCTVUBJ-GHMZBOCLSA-N 2 2 279.344 -0.663 20 0 CBADLP CN(C)C(=O)C[N@@H+]1CC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001366700965 895434316 /nfs/dbraw/zinc/43/43/16/895434316.db2.gz WKNQMKDWJDAEDC-LLVKDONJSA-N 2 2 293.371 -0.522 20 0 CBADLP CN(C)C(=O)C[N@H+]1CC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001366700965 895434324 /nfs/dbraw/zinc/43/43/24/895434324.db2.gz WKNQMKDWJDAEDC-LLVKDONJSA-N 2 2 293.371 -0.522 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CC[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001366712653 895438848 /nfs/dbraw/zinc/43/88/48/895438848.db2.gz XBWZSLRHCHQAKO-GHMZBOCLSA-N 2 2 293.371 -0.726 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CC[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001366712653 895438860 /nfs/dbraw/zinc/43/88/60/895438860.db2.gz XBWZSLRHCHQAKO-GHMZBOCLSA-N 2 2 293.371 -0.726 20 0 CBADLP CC[C@@H](C(=O)NCC[N@H+](CC(=O)NC)C1CC1)[NH+](C)C ZINC001366755279 895447482 /nfs/dbraw/zinc/44/74/82/895447482.db2.gz CDODQUJNJDBJCS-LBPRGKRZSA-N 2 2 284.404 -0.347 20 0 CBADLP CC[C@@H](C(=O)NCC[N@@H+](CC(=O)NC)C1CC1)[NH+](C)C ZINC001366755279 895447487 /nfs/dbraw/zinc/44/74/87/895447487.db2.gz CDODQUJNJDBJCS-LBPRGKRZSA-N 2 2 284.404 -0.347 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001366765389 895453505 /nfs/dbraw/zinc/45/35/05/895453505.db2.gz FGDONYCTYGDJTD-GMTAPVOTSA-N 2 2 293.371 -0.304 20 0 CBADLP CN(CC[NH2+][C@@H]1CCN(C)C1=O)C(=O)Cc1c[nH+]c[nH]1 ZINC001366773060 895458601 /nfs/dbraw/zinc/45/86/01/895458601.db2.gz IWJBFAQGOKOSFX-LLVKDONJSA-N 2 2 279.344 -0.769 20 0 CBADLP CCC[N@H+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC(N)=O ZINC001366799069 895464550 /nfs/dbraw/zinc/46/45/50/895464550.db2.gz GNTGESDKWUMSNG-BETUJISGSA-N 2 2 296.415 -0.121 20 0 CBADLP CCC[N@@H+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC(N)=O ZINC001366799069 895464553 /nfs/dbraw/zinc/46/45/53/895464553.db2.gz GNTGESDKWUMSNG-BETUJISGSA-N 2 2 296.415 -0.121 20 0 CBADLP CCC[NH+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(N)=O ZINC001366799069 895464557 /nfs/dbraw/zinc/46/45/57/895464557.db2.gz GNTGESDKWUMSNG-BETUJISGSA-N 2 2 296.415 -0.121 20 0 CBADLP CCC[NH+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(N)=O ZINC001366799069 895464560 /nfs/dbraw/zinc/46/45/60/895464560.db2.gz GNTGESDKWUMSNG-BETUJISGSA-N 2 2 296.415 -0.121 20 0 CBADLP C[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1)C(N)=O ZINC001366835249 895467184 /nfs/dbraw/zinc/46/71/84/895467184.db2.gz XMFQTTFTQGTPSN-GHMZBOCLSA-N 2 2 293.371 -0.633 20 0 CBADLP CC[C@H](C(=O)NC1C[NH+](C[C@@H](O)COC)C1)[NH+](C)C ZINC001366924419 895492271 /nfs/dbraw/zinc/49/22/71/895492271.db2.gz RGISDXZXURPUKI-VXGBXAGGSA-N 2 2 273.377 -0.866 20 0 CBADLP CC[C@@H](C(=O)NC1C[NH+](C[C@@H](O)COC)C1)[NH+](C)C ZINC001366946443 895499516 /nfs/dbraw/zinc/49/95/16/895499516.db2.gz RGISDXZXURPUKI-NEPJUHHUSA-N 2 2 273.377 -0.866 20 0 CBADLP O=C(Cn1cc[nH+]c1)NCC1C[NH+](CCn2cccn2)C1 ZINC001366990268 895515502 /nfs/dbraw/zinc/51/55/02/895515502.db2.gz DSZVPAYAUQIWFG-UHFFFAOYSA-N 2 2 288.355 -0.172 20 0 CBADLP CC[C@H](C(=O)N[C@@H]1CC[N@H+](CC(=O)NC)C1)[NH+](C)C ZINC001367024379 895529398 /nfs/dbraw/zinc/52/93/98/895529398.db2.gz OHTKIGUGTSKPLO-GHMZBOCLSA-N 2 2 270.377 -0.737 20 0 CBADLP CC[C@H](C(=O)N[C@@H]1CC[N@@H+](CC(=O)NC)C1)[NH+](C)C ZINC001367024379 895529406 /nfs/dbraw/zinc/52/94/06/895529406.db2.gz OHTKIGUGTSKPLO-GHMZBOCLSA-N 2 2 270.377 -0.737 20 0 CBADLP CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001367016941 895533098 /nfs/dbraw/zinc/53/30/98/895533098.db2.gz SOZDYNYRWSZZGY-STQMWFEESA-N 2 2 296.415 -0.345 20 0 CBADLP CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001367016941 895533106 /nfs/dbraw/zinc/53/31/06/895533106.db2.gz SOZDYNYRWSZZGY-STQMWFEESA-N 2 2 296.415 -0.345 20 0 CBADLP CCNC(=O)C[NH+]1CC[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001367016941 895533109 /nfs/dbraw/zinc/53/31/09/895533109.db2.gz SOZDYNYRWSZZGY-STQMWFEESA-N 2 2 296.415 -0.345 20 0 CBADLP CCNC(=O)C[NH+]1CC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001367016941 895533120 /nfs/dbraw/zinc/53/31/20/895533120.db2.gz SOZDYNYRWSZZGY-STQMWFEESA-N 2 2 296.415 -0.345 20 0 CBADLP CC[C@H](CNC(=O)CCc1[nH+]ccn1C)[NH2+][C@H](C)C(N)=O ZINC001367115179 895565563 /nfs/dbraw/zinc/56/55/63/895565563.db2.gz GKWLTWVMWHSEST-GHMZBOCLSA-N 2 2 295.387 -0.289 20 0 CBADLP C[C@@H]([NH2+]C[C@@](C)(NC(=O)Cc1c[nH]c[nH+]1)C1CC1)C(N)=O ZINC001367183893 895577029 /nfs/dbraw/zinc/57/70/29/895577029.db2.gz VCTFGBFFQZTXFY-YMTOWFKASA-N 2 2 293.371 -0.300 20 0 CBADLP CNC(=O)C[NH2+]C[C@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC001367285710 895606295 /nfs/dbraw/zinc/60/62/95/895606295.db2.gz IJWSQGUOWOJIMA-NSHDSACASA-N 2 2 295.387 -0.559 20 0 CBADLP CC(C)[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@@H](C)C(N)=O ZINC001367488167 895641176 /nfs/dbraw/zinc/64/11/76/895641176.db2.gz WWMUTLAJUGAXCL-ONGXEEELSA-N 2 2 281.360 -0.444 20 0 CBADLP CNC(=O)C[NH2+][C@@H](CNC(=O)Cc1c[nH+]cn1C)C(C)C ZINC001367497283 895645077 /nfs/dbraw/zinc/64/50/77/895645077.db2.gz YURAXDUBQDNPEM-LBPRGKRZSA-N 2 2 295.387 -0.561 20 0 CBADLP CCNC(=O)C[N@H+](C)CCN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001367545297 895656954 /nfs/dbraw/zinc/65/69/54/895656954.db2.gz ITBORVRLXKGWQD-ZDUSSCGKSA-N 2 2 298.431 -0.146 20 0 CBADLP CCNC(=O)C[N@@H+](C)CCN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001367545297 895656959 /nfs/dbraw/zinc/65/69/59/895656959.db2.gz ITBORVRLXKGWQD-ZDUSSCGKSA-N 2 2 298.431 -0.146 20 0 CBADLP CCNC(=O)C[NH+](C)CCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001367545297 895656963 /nfs/dbraw/zinc/65/69/63/895656963.db2.gz ITBORVRLXKGWQD-ZDUSSCGKSA-N 2 2 298.431 -0.146 20 0 CBADLP CCNC(=O)C[NH+](C)CCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001367545297 895656967 /nfs/dbraw/zinc/65/69/67/895656967.db2.gz ITBORVRLXKGWQD-ZDUSSCGKSA-N 2 2 298.431 -0.146 20 0 CBADLP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1cnon1 ZINC001367595092 895692073 /nfs/dbraw/zinc/69/20/73/895692073.db2.gz UIACSJBDPRSUER-RYUDHWBXSA-N 2 2 297.359 -0.879 20 0 CBADLP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1cnon1 ZINC001367595092 895692076 /nfs/dbraw/zinc/69/20/76/895692076.db2.gz UIACSJBDPRSUER-RYUDHWBXSA-N 2 2 297.359 -0.879 20 0 CBADLP C[C@@H](CC[NH2+][C@@H]1CCNC1=O)NC(=O)Cc1[nH]cc[nH+]1 ZINC001367633907 895718629 /nfs/dbraw/zinc/71/86/29/895718629.db2.gz FRIFZBHDFXTPQO-VHSXEESVSA-N 2 2 279.344 -0.675 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)C[NH2+][C@H]1CCCNC1=O ZINC001367712673 895758154 /nfs/dbraw/zinc/75/81/54/895758154.db2.gz UXOWHFYIJKFSBN-KOLCDFICSA-N 2 2 293.371 -0.366 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)C[NH2+][C@@H]1CCNC1=O ZINC001367711821 895758904 /nfs/dbraw/zinc/75/89/04/895758904.db2.gz PKNGHCFOAZVWBQ-PSASIEDQSA-N 2 2 279.344 -0.757 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)C[NH2+][C@@H]1CCCNC1=O ZINC001367712677 895761389 /nfs/dbraw/zinc/76/13/89/895761389.db2.gz UXOWHFYIJKFSBN-MWLCHTKSSA-N 2 2 293.371 -0.366 20 0 CBADLP C[C@@H](C[NH2+]CC(N)=O)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001367732448 895781130 /nfs/dbraw/zinc/78/11/30/895781130.db2.gz UTNALNDOVZYOOG-JTQLQIEISA-N 2 2 293.371 -0.659 20 0 CBADLP C[C@@H](C[NH2+][C@@H](C)C(=O)NC1CC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001367759138 895792505 /nfs/dbraw/zinc/79/25/05/895792505.db2.gz MGLPSNLFLKOEGR-UWVGGRQHSA-N 2 2 293.371 -0.286 20 0 CBADLP C[C@@H](C[NH2+][C@@H]1CCNC1=O)NC(=O)CCCn1cc[nH+]c1 ZINC001367779757 895806821 /nfs/dbraw/zinc/80/68/21/895806821.db2.gz MYNIXKSKRWIZHS-NWDGAFQWSA-N 2 2 293.371 -0.354 20 0 CBADLP C[C@@H](C[N@H+](C)CC(N)=O)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001367877943 895843040 /nfs/dbraw/zinc/84/30/40/895843040.db2.gz JNVVDNVDCLYUGD-NSHDSACASA-N 2 2 284.404 -0.217 20 0 CBADLP C[C@@H](C[N@@H+](C)CC(N)=O)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001367877943 895843047 /nfs/dbraw/zinc/84/30/47/895843047.db2.gz JNVVDNVDCLYUGD-NSHDSACASA-N 2 2 284.404 -0.217 20 0 CBADLP CCC[N@H+](C)CCC(=O)NC[C@@H]1CC[NH+]1[C@H]1CCNC1=O ZINC001367975210 895876127 /nfs/dbraw/zinc/87/61/27/895876127.db2.gz BELPYZYUSHZGAC-STQMWFEESA-N 2 2 296.415 -0.203 20 0 CBADLP CCC[N@@H+](C)CCC(=O)NC[C@@H]1CC[NH+]1[C@H]1CCNC1=O ZINC001367975210 895876138 /nfs/dbraw/zinc/87/61/38/895876138.db2.gz BELPYZYUSHZGAC-STQMWFEESA-N 2 2 296.415 -0.203 20 0 CBADLP CCC[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+]1[C@H]1CCNC1=O ZINC001367975210 895876146 /nfs/dbraw/zinc/87/61/46/895876146.db2.gz BELPYZYUSHZGAC-STQMWFEESA-N 2 2 296.415 -0.203 20 0 CBADLP CCC[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+]1[C@H]1CCNC1=O ZINC001367975210 895876154 /nfs/dbraw/zinc/87/61/54/895876154.db2.gz BELPYZYUSHZGAC-STQMWFEESA-N 2 2 296.415 -0.203 20 0 CBADLP CCNC(=O)C[NH2+]C1(CNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001368029689 895895030 /nfs/dbraw/zinc/89/50/30/895895030.db2.gz UZRMFKGTOCVOBK-UHFFFAOYSA-N 2 2 293.371 -0.663 20 0 CBADLP Cc1nnc(C[NH2+]C2(CNC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)[nH]1 ZINC001368034763 895897505 /nfs/dbraw/zinc/89/75/05/895897505.db2.gz JVYBJOVQUHDERS-LLVKDONJSA-N 2 2 292.387 -0.197 20 0 CBADLP Cc1nnc(C[NH2+]C2(CNC(=O)[C@@H]3CC[N@H+](C)C3)CC2)[nH]1 ZINC001368034763 895897517 /nfs/dbraw/zinc/89/75/17/895897517.db2.gz JVYBJOVQUHDERS-LLVKDONJSA-N 2 2 292.387 -0.197 20 0 CBADLP NC(=O)C[NH2+]C[C@H]1CCCN1C(=O)CCCn1cc[nH+]c1 ZINC001368114707 895913734 /nfs/dbraw/zinc/91/37/34/895913734.db2.gz IXLYWXASDJAYMD-GFCCVEGCSA-N 2 2 293.371 -0.271 20 0 CBADLP COC[C@H](O)C[NH2+]C[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001368110689 895914140 /nfs/dbraw/zinc/91/41/40/895914140.db2.gz YLFYIOWORJRSSS-CHWSQXEVSA-N 2 2 296.371 -0.460 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+]1CC[C@@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001368170626 895928207 /nfs/dbraw/zinc/92/82/07/895928207.db2.gz MKOLVBQOIJPYFQ-SWLSCSKDSA-N 2 2 296.415 -0.073 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+]1CC[C@@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001368170626 895928219 /nfs/dbraw/zinc/92/82/19/895928219.db2.gz MKOLVBQOIJPYFQ-SWLSCSKDSA-N 2 2 296.415 -0.073 20 0 CBADLP CNC(=O)C[NH2+]C[C@]1(C)CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001368191665 895934121 /nfs/dbraw/zinc/93/41/21/895934121.db2.gz LSGQWZFVNKQTBV-AWEZNQCLSA-N 2 2 293.371 -0.474 20 0 CBADLP C[C@@H]([NH2+]C[C@@]1(C)CCN(C(=O)Cc2c[nH+]c[nH]2)C1)C(N)=O ZINC001368202010 895934901 /nfs/dbraw/zinc/93/49/01/895934901.db2.gz YNCWYZRAPFBAJD-QMTHXVAHSA-N 2 2 293.371 -0.346 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@]1(O)CC[NH+](CCF)C1 ZINC001368256348 895948423 /nfs/dbraw/zinc/94/84/23/895948423.db2.gz JWIBXLOZXUKMED-YPMHNXCESA-N 2 2 273.352 -0.397 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@]1(O)CC[NH+](CCF)C1 ZINC001368256348 895948439 /nfs/dbraw/zinc/94/84/39/895948439.db2.gz JWIBXLOZXUKMED-YPMHNXCESA-N 2 2 273.352 -0.397 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@@]1(O)CC[N@H+](CCF)C1 ZINC001368256348 895948450 /nfs/dbraw/zinc/94/84/50/895948450.db2.gz JWIBXLOZXUKMED-YPMHNXCESA-N 2 2 273.352 -0.397 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@@]1(O)CC[N@@H+](CCF)C1 ZINC001368256348 895948459 /nfs/dbraw/zinc/94/84/59/895948459.db2.gz JWIBXLOZXUKMED-YPMHNXCESA-N 2 2 273.352 -0.397 20 0 CBADLP CN(C[C@@H]1CC[N@@H+]1[C@@H]1CCN(C)C1=O)C(=O)CC[NH+](C)C ZINC001368405495 896004617 /nfs/dbraw/zinc/00/46/17/896004617.db2.gz VZFKETNYAZJLOE-QWHCGFSZSA-N 2 2 296.415 -0.299 20 0 CBADLP CN(C[C@@H]1CC[N@H+]1[C@@H]1CCN(C)C1=O)C(=O)CC[NH+](C)C ZINC001368405495 896004630 /nfs/dbraw/zinc/00/46/30/896004630.db2.gz VZFKETNYAZJLOE-QWHCGFSZSA-N 2 2 296.415 -0.299 20 0 CBADLP COCC[N@@H+]1CC[C@@H](NC(=O)NCCc2cn(C)c[nH+]2)C1 ZINC001368470803 896017794 /nfs/dbraw/zinc/01/77/94/896017794.db2.gz PLEQYJRENTYJAU-CYBMUJFWSA-N 2 2 295.387 -0.018 20 0 CBADLP COCC[N@H+]1CC[C@@H](NC(=O)NCCc2cn(C)c[nH+]2)C1 ZINC001368470803 896017801 /nfs/dbraw/zinc/01/78/01/896017801.db2.gz PLEQYJRENTYJAU-CYBMUJFWSA-N 2 2 295.387 -0.018 20 0 CBADLP COC[C@@H](O)C[NH2+]C1(CNC(=O)Cc2[nH]cc[nH+]2)CCC1 ZINC001368486975 896018935 /nfs/dbraw/zinc/01/89/35/896018935.db2.gz JAFJAIUOLCOGAZ-NSHDSACASA-N 2 2 296.371 -0.412 20 0 CBADLP CO[C@@H](C)C[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001368506949 896023128 /nfs/dbraw/zinc/02/31/28/896023128.db2.gz GRVQCCQNYAZFPC-NWDGAFQWSA-N 2 2 296.371 -0.196 20 0 CBADLP C[NH+](C)CCC(=O)NC[C@H]1CCC2(C[NH+](CCO)C2)O1 ZINC001368580399 896040657 /nfs/dbraw/zinc/04/06/57/896040657.db2.gz KCMVNXAGRRUTQN-GFCCVEGCSA-N 2 2 285.388 -0.720 20 0 CBADLP CC[C@H]([NH2+][C@H]1C[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1)C(N)=O ZINC001368585021 896042760 /nfs/dbraw/zinc/04/27/60/896042760.db2.gz BAPMVIZMRYLYSM-NHCYSSNCSA-N 2 2 293.371 -0.300 20 0 CBADLP C[NH+](C)C1(C(=O)N[C@H]2COC3(C[NH+](CCO)C3)C2)CCC1 ZINC001368603967 896045440 /nfs/dbraw/zinc/04/54/40/896045440.db2.gz NCBTTZPSEDGDIQ-GFCCVEGCSA-N 2 2 297.399 -0.578 20 0 CBADLP CO[C@H](C)C[NH+]1CC2(C1)C[C@@H](NC(=O)CC[NH+](C)C)CO2 ZINC001368596717 896045888 /nfs/dbraw/zinc/04/58/88/896045888.db2.gz MHYYSBZTGOCZBC-CHWSQXEVSA-N 2 2 299.415 -0.068 20 0 CBADLP C[NH+](C)C1(C(=O)N[C@@H]2COC3(C[NH+](CCO)C3)C2)CCC1 ZINC001368603983 896046154 /nfs/dbraw/zinc/04/61/54/896046154.db2.gz NCBTTZPSEDGDIQ-LBPRGKRZSA-N 2 2 297.399 -0.578 20 0 CBADLP C[C@H]([NH2+][C@@H]1CC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1)C(N)=O ZINC001368644174 896050242 /nfs/dbraw/zinc/05/02/42/896050242.db2.gz IBPBGLUAUURAIB-GARJFASQSA-N 2 2 293.371 -0.300 20 0 CBADLP C[C@@H](CCNC(=O)CCc1[nH+]ccn1C)[NH2+][C@@H](C)C(N)=O ZINC001368723124 896067925 /nfs/dbraw/zinc/06/79/25/896067925.db2.gz BGFDFZBYRZNCSN-QWRGUYRKSA-N 2 2 295.387 -0.289 20 0 CBADLP CNC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001368896755 896106896 /nfs/dbraw/zinc/10/68/96/896106896.db2.gz AQHGLMOSHVTGJY-VXGBXAGGSA-N 2 2 295.387 -0.108 20 0 CBADLP CC[N@H+](C)CCC(=O)NC1(CCO)C[NH+](C[C@H](C)O)C1 ZINC001369044684 896142274 /nfs/dbraw/zinc/14/22/74/896142274.db2.gz ZSDUFYWXKXYODA-LBPRGKRZSA-N 2 2 287.404 -0.738 20 0 CBADLP CC[N@@H+](C)CCC(=O)NC1(CCO)C[NH+](C[C@H](C)O)C1 ZINC001369044684 896142282 /nfs/dbraw/zinc/14/22/82/896142282.db2.gz ZSDUFYWXKXYODA-LBPRGKRZSA-N 2 2 287.404 -0.738 20 0 CBADLP CC[NH+]1CC(CCO)(NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001369035494 896142336 /nfs/dbraw/zinc/14/23/36/896142336.db2.gz QLMDKFIYLXDWCI-ZDUSSCGKSA-N 2 2 299.415 -0.472 20 0 CBADLP C[C@H](NC(=O)CCC[NH+]1CCCC1)C1C[NH+](CC(N)=O)C1 ZINC001369100998 896152617 /nfs/dbraw/zinc/15/26/17/896152617.db2.gz YSPMWMXRVVSACW-LBPRGKRZSA-N 2 2 296.415 -0.216 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001369153229 896161516 /nfs/dbraw/zinc/16/15/16/896161516.db2.gz ZHACSTJKEAUDPG-PDEGPIFNSA-N 2 2 291.355 -0.880 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001369153229 896161520 /nfs/dbraw/zinc/16/15/20/896161520.db2.gz ZHACSTJKEAUDPG-PDEGPIFNSA-N 2 2 291.355 -0.880 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@@H](C)[NH2+][C@H]1CCNC1=O ZINC001369288920 896187425 /nfs/dbraw/zinc/18/74/25/896187425.db2.gz CGXVHXDFRYQOMU-KOLCDFICSA-N 2 2 293.371 -0.414 20 0 CBADLP COC[C@@H](O)C[NH2+][C@@H](C)CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001369293544 896187627 /nfs/dbraw/zinc/18/76/27/896187627.db2.gz JMVMWAOSHOOVOO-JQWIXIFHSA-N 2 2 298.387 -0.296 20 0 CBADLP CC[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc1nocc1C)[NH+](C)C ZINC001369374083 896248418 /nfs/dbraw/zinc/24/84/18/896248418.db2.gz ASHNGJAQNYIFEK-WCQYABFASA-N 2 2 298.387 -0.110 20 0 CBADLP CO[C@@H](C)C[NH2+][C@@H](CO)CNC(=O)Cc1c[nH+]cn1C ZINC001369380152 896252367 /nfs/dbraw/zinc/25/23/67/896252367.db2.gz KWGKCJJRSXLHER-WDEREUQCSA-N 2 2 284.360 -0.936 20 0 CBADLP C[C@@H](NC(=O)CC[NH+](C)C)[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001369727637 896333600 /nfs/dbraw/zinc/33/36/00/896333600.db2.gz UWCXQZNQSCNDSX-MNOVXSKESA-N 2 2 295.387 -0.087 20 0 CBADLP CNC(=O)C[NH2+][C@@H](CNC(=O)Cc1c[nH+]cn1C)C1CC1 ZINC001370259565 896414406 /nfs/dbraw/zinc/41/44/06/896414406.db2.gz UXPXTUDALUFNGG-LBPRGKRZSA-N 2 2 293.371 -0.807 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001370549145 896441522 /nfs/dbraw/zinc/44/15/22/896441522.db2.gz RDLFZQJNMSLYFF-DCAQKATOSA-N 2 2 293.371 -0.368 20 0 CBADLP CNC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001370901470 896513965 /nfs/dbraw/zinc/51/39/65/896513965.db2.gz NPBPFSPIGSKZPJ-CYBMUJFWSA-N 2 2 296.415 -0.201 20 0 CBADLP CNC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001370901470 896513973 /nfs/dbraw/zinc/51/39/73/896513973.db2.gz NPBPFSPIGSKZPJ-CYBMUJFWSA-N 2 2 296.415 -0.201 20 0 CBADLP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001370969165 896524509 /nfs/dbraw/zinc/52/45/09/896524509.db2.gz GAVOXOYVJDXCEI-VXGBXAGGSA-N 2 2 293.371 -0.415 20 0 CBADLP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001370969165 896524513 /nfs/dbraw/zinc/52/45/13/896524513.db2.gz GAVOXOYVJDXCEI-VXGBXAGGSA-N 2 2 293.371 -0.415 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)[NH2+]CCn1cncn1 ZINC001371443911 896610245 /nfs/dbraw/zinc/61/02/45/896610245.db2.gz SKLKSXHUXXJBAJ-JTQLQIEISA-N 2 2 291.359 -0.353 20 0 CBADLP C[C@H](CCNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CC(=O)N(C)C ZINC001371860007 896670479 /nfs/dbraw/zinc/67/04/79/896670479.db2.gz YMQIBINYCORYQV-SNVBAGLBSA-N 2 2 281.360 -0.475 20 0 CBADLP C[C@H](CCNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@@H]1CCN(C)C1=O ZINC001371864262 896672965 /nfs/dbraw/zinc/67/29/65/896672965.db2.gz RXEPOAWLKYNAIN-GHMZBOCLSA-N 2 2 293.371 -0.333 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@@H](C)CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001371883456 896674550 /nfs/dbraw/zinc/67/45/50/896674550.db2.gz RKIHCFIBXPVIPZ-GXSJLCMTSA-N 2 2 295.387 -0.120 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NCC[N@@H+](C)[C@@H]1CCNC1=O ZINC001372044021 896716690 /nfs/dbraw/zinc/71/66/90/896716690.db2.gz JVBMSTHYOJUUDX-LLVKDONJSA-N 2 2 279.344 -0.872 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NCC[N@H+](C)[C@@H]1CCNC1=O ZINC001372044021 896716699 /nfs/dbraw/zinc/71/66/99/896716699.db2.gz JVBMSTHYOJUUDX-LLVKDONJSA-N 2 2 279.344 -0.872 20 0 CBADLP CCNC(=O)C[N@H+](C)CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001372109061 896726323 /nfs/dbraw/zinc/72/63/23/896726323.db2.gz BBTCAPGZQYUQMQ-CYBMUJFWSA-N 2 2 286.420 -0.243 20 0 CBADLP CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001372109061 896726327 /nfs/dbraw/zinc/72/63/27/896726327.db2.gz BBTCAPGZQYUQMQ-CYBMUJFWSA-N 2 2 286.420 -0.243 20 0 CBADLP CN(C)C(=O)C[N@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001372129495 896731054 /nfs/dbraw/zinc/73/10/54/896731054.db2.gz KHMVFRZZTJONTF-LLVKDONJSA-N 2 2 270.377 -0.783 20 0 CBADLP CN(C)C(=O)C[N@@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001372129495 896731063 /nfs/dbraw/zinc/73/10/63/896731063.db2.gz KHMVFRZZTJONTF-LLVKDONJSA-N 2 2 270.377 -0.783 20 0 CBADLP CN(C)C(=O)C[NH+](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001372129495 896731070 /nfs/dbraw/zinc/73/10/70/896731070.db2.gz KHMVFRZZTJONTF-LLVKDONJSA-N 2 2 270.377 -0.783 20 0 CBADLP CN(C)C(=O)C[NH+](C)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001372129495 896731077 /nfs/dbraw/zinc/73/10/77/896731077.db2.gz KHMVFRZZTJONTF-LLVKDONJSA-N 2 2 270.377 -0.783 20 0 CBADLP CNC(=O)C[N@H+](C)CCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001372234094 896753171 /nfs/dbraw/zinc/75/31/71/896753171.db2.gz DJFQFJDUEZANNR-TXEJJXNPSA-N 2 2 284.404 -0.347 20 0 CBADLP CNC(=O)C[N@@H+](C)CCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001372234094 896753180 /nfs/dbraw/zinc/75/31/80/896753180.db2.gz DJFQFJDUEZANNR-TXEJJXNPSA-N 2 2 284.404 -0.347 20 0 CBADLP CNC(=O)C[NH+](C)CCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001372234094 896753196 /nfs/dbraw/zinc/75/31/96/896753196.db2.gz DJFQFJDUEZANNR-TXEJJXNPSA-N 2 2 284.404 -0.347 20 0 CBADLP CNC(=O)C[NH+](C)CCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001372234094 896753208 /nfs/dbraw/zinc/75/32/08/896753208.db2.gz DJFQFJDUEZANNR-TXEJJXNPSA-N 2 2 284.404 -0.347 20 0 CBADLP C[NH+](C)[C@@H](C(=O)NCC[N@H+](C)CC(N)=O)c1ccccc1 ZINC001372249212 896759711 /nfs/dbraw/zinc/75/97/11/896759711.db2.gz UXLOBHNXPZSWSM-CQSZACIVSA-N 2 2 292.383 -0.177 20 0 CBADLP C[NH+](C)[C@@H](C(=O)NCC[N@@H+](C)CC(N)=O)c1ccccc1 ZINC001372249212 896759721 /nfs/dbraw/zinc/75/97/21/896759721.db2.gz UXLOBHNXPZSWSM-CQSZACIVSA-N 2 2 292.383 -0.177 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CCC[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001372562071 896808108 /nfs/dbraw/zinc/80/81/08/896808108.db2.gz BIVPDAUPCGIEGL-GHMZBOCLSA-N 2 2 293.371 -0.583 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CCC[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001372562071 896808117 /nfs/dbraw/zinc/80/81/17/896808117.db2.gz BIVPDAUPCGIEGL-GHMZBOCLSA-N 2 2 293.371 -0.583 20 0 CBADLP CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001372680619 896834225 /nfs/dbraw/zinc/83/42/25/896834225.db2.gz KCLKVFYYNBZPCN-LBPRGKRZSA-N 2 2 293.371 -0.543 20 0 CBADLP CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001372680619 896834242 /nfs/dbraw/zinc/83/42/42/896834242.db2.gz KCLKVFYYNBZPCN-LBPRGKRZSA-N 2 2 293.371 -0.543 20 0 CBADLP CC[C@H]([NH2+]CCN(C)C(=O)CCc1c[nH]c[nH+]1)C(N)=O ZINC001372942978 896908430 /nfs/dbraw/zinc/90/84/30/896908430.db2.gz VCNSRZAIUQXFEL-NSHDSACASA-N 2 2 281.360 -0.346 20 0 CBADLP CC[C@H]([NH2+]CCN(C)C(=O)CCc1c[nH+]c[nH]1)C(N)=O ZINC001372942978 896908437 /nfs/dbraw/zinc/90/84/37/896908437.db2.gz VCNSRZAIUQXFEL-NSHDSACASA-N 2 2 281.360 -0.346 20 0 CBADLP C[NH+](C)CCC(=O)N[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001453570402 914115545 /nfs/dbraw/zinc/11/55/45/914115545.db2.gz KKDBOGQDAGCPOR-GFCCVEGCSA-N 2 2 293.371 -0.448 20 0 CBADLP CN(CCNC(=O)Cn1cc[nH+]c1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001373534277 897044020 /nfs/dbraw/zinc/04/40/20/897044020.db2.gz QYQXPHCWAVQKDU-GFCCVEGCSA-N 2 2 293.371 -0.448 20 0 CBADLP CN(CCNC(=O)Cn1cc[nH+]c1)C(=O)[C@H]1CCC[N@H+]1C ZINC001373534277 897044031 /nfs/dbraw/zinc/04/40/31/897044031.db2.gz QYQXPHCWAVQKDU-GFCCVEGCSA-N 2 2 293.371 -0.448 20 0 CBADLP CC[C@@H](C(=O)NCCN(C)C(=O)Cn1cc[nH+]c1)[NH+](C)C ZINC001373580025 897061331 /nfs/dbraw/zinc/06/13/31/897061331.db2.gz SFTJDOHCWZKTRP-LBPRGKRZSA-N 2 2 295.387 -0.202 20 0 CBADLP CC[C@H](C(=O)N[C@@H]1CC[N@H+](CC(=O)NC2CC2)C1)[NH+](C)C ZINC001373631815 897081422 /nfs/dbraw/zinc/08/14/22/897081422.db2.gz ATVXBOALYTXVLQ-CHWSQXEVSA-N 2 2 296.415 -0.204 20 0 CBADLP CC[C@H](C(=O)N[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C1)[NH+](C)C ZINC001373631815 897081430 /nfs/dbraw/zinc/08/14/30/897081430.db2.gz ATVXBOALYTXVLQ-CHWSQXEVSA-N 2 2 296.415 -0.204 20 0 CBADLP CC[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1cn(C)nn1 ZINC001373836743 897130306 /nfs/dbraw/zinc/13/03/06/897130306.db2.gz RHJACOGRZCGQRN-LLVKDONJSA-N 2 2 291.359 -0.304 20 0 CBADLP CC[C@@H](CNC(=O)CCc1c[nH+]cn1C)[NH2+][C@H](C)C(N)=O ZINC001373823392 897131769 /nfs/dbraw/zinc/13/17/69/897131769.db2.gz WIZNDTJHRREUDF-MNOVXSKESA-N 2 2 295.387 -0.289 20 0 CBADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+][C@H]1CCNC1=O ZINC001374113078 897171332 /nfs/dbraw/zinc/17/13/32/897171332.db2.gz ISFPPBQBXCYMKI-QWRGUYRKSA-N 2 2 279.344 -0.887 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)Cc1c[nH+]cn1C ZINC001374310993 897211408 /nfs/dbraw/zinc/21/14/08/897211408.db2.gz FXXIHEUEDYZTHR-MNOVXSKESA-N 2 2 295.387 -0.466 20 0 CBADLP CNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001374314641 897211623 /nfs/dbraw/zinc/21/16/23/897211623.db2.gz LAVNUEYRGTWQAG-VIFPVBQESA-N 2 2 281.360 -0.557 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]C[C@H](C)N(C)C(=O)Cc1c[nH+]cn1C ZINC001374310994 897213383 /nfs/dbraw/zinc/21/33/83/897213383.db2.gz FXXIHEUEDYZTHR-QWRGUYRKSA-N 2 2 295.387 -0.466 20 0 CBADLP CC(C)[C@H](C(=O)N(C)CC[N@H+](C)CC(N)=O)[NH+](C)C ZINC001374529143 897246531 /nfs/dbraw/zinc/24/65/31/897246531.db2.gz CNTZEEXZEXIBFD-GFCCVEGCSA-N 2 2 272.393 -0.552 20 0 CBADLP CC(C)[C@H](C(=O)N(C)CC[N@@H+](C)CC(N)=O)[NH+](C)C ZINC001374529143 897246539 /nfs/dbraw/zinc/24/65/39/897246539.db2.gz CNTZEEXZEXIBFD-GFCCVEGCSA-N 2 2 272.393 -0.552 20 0 CBADLP Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CCC[N@H+]2C)o1 ZINC001374631018 897317962 /nfs/dbraw/zinc/31/79/62/897317962.db2.gz AINKUDFKAVVQPC-WDEREUQCSA-N 2 2 297.359 -0.961 20 0 CBADLP Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CCC[N@@H+]2C)o1 ZINC001374631018 897317975 /nfs/dbraw/zinc/31/79/75/897317975.db2.gz AINKUDFKAVVQPC-WDEREUQCSA-N 2 2 297.359 -0.961 20 0 CBADLP C[C@H](CC[NH2+][C@H](C)C(=O)N(C)C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001374698157 897349286 /nfs/dbraw/zinc/34/92/86/897349286.db2.gz DCTVZEFQYGFHMC-GHMZBOCLSA-N 2 2 295.387 -0.087 20 0 CBADLP C[C@H](C[NH2+]Cc1ccnn1C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001374746543 897370350 /nfs/dbraw/zinc/37/03/50/897370350.db2.gz SOZXTHZSZRCBBP-YPMHNXCESA-N 2 2 295.387 -0.655 20 0 CBADLP C[C@H](C[NH2+]Cc1ccnn1C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001374746543 897370364 /nfs/dbraw/zinc/37/03/64/897370364.db2.gz SOZXTHZSZRCBBP-YPMHNXCESA-N 2 2 295.387 -0.655 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001374781040 897386844 /nfs/dbraw/zinc/38/68/44/897386844.db2.gz JQEXZVFUAKSGLN-MNOVXSKESA-N 2 2 293.371 -0.714 20 0 CBADLP COC[C@@H](O)C[NH2+]C[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001374814641 897401100 /nfs/dbraw/zinc/40/11/00/897401100.db2.gz AZHYFFBIPOTVPM-KOLCDFICSA-N 2 2 270.333 -0.946 20 0 CBADLP C[C@H](C[NH2+][C@H](C)C(=O)N(C)C)NC(=O)Cn1cc[nH+]c1 ZINC001374851797 897410879 /nfs/dbraw/zinc/41/08/79/897410879.db2.gz ILYYYKXHYLNDOJ-GHMZBOCLSA-N 2 2 281.360 -0.546 20 0 CBADLP COC[C@@H](O)C[N@H+](C)C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001375107858 897479447 /nfs/dbraw/zinc/47/94/47/897479447.db2.gz DENZJRUUTCWULU-JQWIXIFHSA-N 2 2 284.360 -0.604 20 0 CBADLP COC[C@@H](O)C[N@@H+](C)C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001375107858 897479456 /nfs/dbraw/zinc/47/94/56/897479456.db2.gz DENZJRUUTCWULU-JQWIXIFHSA-N 2 2 284.360 -0.604 20 0 CBADLP C[C@@H](C[N@H+](C)Cc1cnnn1C)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001375153010 897487139 /nfs/dbraw/zinc/48/71/39/897487139.db2.gz BOBXIMJKLJOGRN-NWDGAFQWSA-N 2 2 294.403 -0.297 20 0 CBADLP C[C@@H](C[N@@H+](C)Cc1cnnn1C)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001375153010 897487144 /nfs/dbraw/zinc/48/71/44/897487144.db2.gz BOBXIMJKLJOGRN-NWDGAFQWSA-N 2 2 294.403 -0.297 20 0 CBADLP C[C@@H](C[NH+](C)Cc1cnnn1C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001375153010 897487154 /nfs/dbraw/zinc/48/71/54/897487154.db2.gz BOBXIMJKLJOGRN-NWDGAFQWSA-N 2 2 294.403 -0.297 20 0 CBADLP C[C@@H](C[NH+](C)Cc1cnnn1C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001375153010 897487163 /nfs/dbraw/zinc/48/71/63/897487163.db2.gz BOBXIMJKLJOGRN-NWDGAFQWSA-N 2 2 294.403 -0.297 20 0 CBADLP CNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001375153914 897487735 /nfs/dbraw/zinc/48/77/35/897487735.db2.gz MGMDUAFZWSNPAF-SNVBAGLBSA-N 2 2 281.360 -0.626 20 0 CBADLP CNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001375153914 897487746 /nfs/dbraw/zinc/48/77/46/897487746.db2.gz MGMDUAFZWSNPAF-SNVBAGLBSA-N 2 2 281.360 -0.626 20 0 CBADLP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH+](C)CC(N)=O ZINC001375158289 897487826 /nfs/dbraw/zinc/48/78/26/897487826.db2.gz JOYDNIJZVFWAQW-NEPJUHHUSA-N 2 2 284.404 -0.217 20 0 CBADLP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH+](C)CC(N)=O ZINC001375158289 897487838 /nfs/dbraw/zinc/48/78/38/897487838.db2.gz JOYDNIJZVFWAQW-NEPJUHHUSA-N 2 2 284.404 -0.217 20 0 CBADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)CC(N)=O ZINC001375158289 897487846 /nfs/dbraw/zinc/48/78/46/897487846.db2.gz JOYDNIJZVFWAQW-NEPJUHHUSA-N 2 2 284.404 -0.217 20 0 CBADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)CC(N)=O ZINC001375158289 897487856 /nfs/dbraw/zinc/48/78/56/897487856.db2.gz JOYDNIJZVFWAQW-NEPJUHHUSA-N 2 2 284.404 -0.217 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+]1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001375337944 897521148 /nfs/dbraw/zinc/52/11/48/897521148.db2.gz DLKBHTYGAGTBCF-QWRGUYRKSA-N 2 2 270.377 -0.737 20 0 CBADLP CNC(=O)[C@H](C)[N@H+]1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001375337944 897521152 /nfs/dbraw/zinc/52/11/52/897521152.db2.gz DLKBHTYGAGTBCF-QWRGUYRKSA-N 2 2 270.377 -0.737 20 0 CBADLP Cc1nnc(C[NH2+]C2(CNC(=O)CC[NH+](C)C)CC2)[nH]1 ZINC001375465925 897548098 /nfs/dbraw/zinc/54/80/98/897548098.db2.gz OZROPBYSQILRFS-UHFFFAOYSA-N 2 2 280.376 -0.197 20 0 CBADLP CN(C[C@H]1CC[N@@H+]1CC(=O)N1CCC1)C(=O)CC[NH+](C)C ZINC001375470901 897553082 /nfs/dbraw/zinc/55/30/82/897553082.db2.gz MFZIEXRBOMNJHH-CYBMUJFWSA-N 2 2 296.415 -0.297 20 0 CBADLP CN(C[C@H]1CC[N@H+]1CC(=O)N1CCC1)C(=O)CC[NH+](C)C ZINC001375470901 897553091 /nfs/dbraw/zinc/55/30/91/897553091.db2.gz MFZIEXRBOMNJHH-CYBMUJFWSA-N 2 2 296.415 -0.297 20 0 CBADLP C[C@@H](CC(=O)NCC1([NH2+][C@@H](C)C(N)=O)CC1)n1cc[nH+]c1 ZINC001375490301 897555689 /nfs/dbraw/zinc/55/56/89/897555689.db2.gz MNQLNWTYGMERHP-QWRGUYRKSA-N 2 2 293.371 -0.054 20 0 CBADLP CC[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)Cn2cc[nH+]c2)C1)C(N)=O ZINC001375512516 897560885 /nfs/dbraw/zinc/56/08/85/897560885.db2.gz REGMWBMGDUGVLS-GRYCIOLGSA-N 2 2 293.371 -0.369 20 0 CBADLP CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001375549623 897563375 /nfs/dbraw/zinc/56/33/75/897563375.db2.gz YLNFBWZKSUYCKX-XYPYZODXSA-N 2 2 293.371 -0.427 20 0 CBADLP NC(=O)C[NH2+]C[C@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001375759126 897603778 /nfs/dbraw/zinc/60/37/78/897603778.db2.gz ZJPAPNXXGCKQHS-LLVKDONJSA-N 2 2 279.344 -0.592 20 0 CBADLP NC(=O)C[NH2+]C[C@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001375759126 897603783 /nfs/dbraw/zinc/60/37/83/897603783.db2.gz ZJPAPNXXGCKQHS-LLVKDONJSA-N 2 2 279.344 -0.592 20 0 CBADLP C[C@]1(NC(=O)Cn2cc[nH+]c2)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001375856844 897617234 /nfs/dbraw/zinc/61/72/34/897617234.db2.gz OUYJTTZLQHYQLO-RISCZKNCSA-N 2 2 291.355 -0.648 20 0 CBADLP C[C@]1(NC(=O)Cn2cc[nH+]c2)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001375856844 897617238 /nfs/dbraw/zinc/61/72/38/897617238.db2.gz OUYJTTZLQHYQLO-RISCZKNCSA-N 2 2 291.355 -0.648 20 0 CBADLP C[C@]1(NC(=O)Cn2cc[nH+]c2)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001375856843 897617301 /nfs/dbraw/zinc/61/73/01/897617301.db2.gz OUYJTTZLQHYQLO-FZMZJTMJSA-N 2 2 291.355 -0.648 20 0 CBADLP C[C@]1(NC(=O)Cn2cc[nH+]c2)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001375856843 897617304 /nfs/dbraw/zinc/61/73/04/897617304.db2.gz OUYJTTZLQHYQLO-FZMZJTMJSA-N 2 2 291.355 -0.648 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NCC1([NH2+]CCO)CCOCC1 ZINC001375986051 897627121 /nfs/dbraw/zinc/62/71/21/897627121.db2.gz WEKQVSUYEOZZNJ-UHFFFAOYSA-N 2 2 296.371 -0.790 20 0 CBADLP CCC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](CC(N)=O)C1 ZINC001376067371 897643572 /nfs/dbraw/zinc/64/35/72/897643572.db2.gz DZHDDAZRFAUPPA-LBPRGKRZSA-N 2 2 284.404 -0.216 20 0 CBADLP CCC[N@@H+](C)CCC(=O)N[C@H]1CCC[NH+](CC(N)=O)C1 ZINC001376067371 897643581 /nfs/dbraw/zinc/64/35/81/897643581.db2.gz DZHDDAZRFAUPPA-LBPRGKRZSA-N 2 2 284.404 -0.216 20 0 CBADLP CCC[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001376067371 897643589 /nfs/dbraw/zinc/64/35/89/897643589.db2.gz DZHDDAZRFAUPPA-LBPRGKRZSA-N 2 2 284.404 -0.216 20 0 CBADLP CCC[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001376067371 897643598 /nfs/dbraw/zinc/64/35/98/897643598.db2.gz DZHDDAZRFAUPPA-LBPRGKRZSA-N 2 2 284.404 -0.216 20 0 CBADLP CO[C@H](C)C[N@@H+]1CC[C@@](O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001376081136 897650419 /nfs/dbraw/zinc/65/04/19/897650419.db2.gz KRSRCSJQKLECCQ-BXUZGUMPSA-N 2 2 296.371 -0.460 20 0 CBADLP CO[C@H](C)C[N@H+]1CC[C@@](O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001376081136 897650423 /nfs/dbraw/zinc/65/04/23/897650423.db2.gz KRSRCSJQKLECCQ-BXUZGUMPSA-N 2 2 296.371 -0.460 20 0 CBADLP CC[C@@H](C)C[NH+]1CC(O)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001376150244 897672210 /nfs/dbraw/zinc/67/22/10/897672210.db2.gz PJHSPFVFSPAKET-CHWSQXEVSA-N 2 2 299.415 -0.474 20 0 CBADLP CC[C@@H](C)C[NH+]1CC(O)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001376150244 897672216 /nfs/dbraw/zinc/67/22/16/897672216.db2.gz PJHSPFVFSPAKET-CHWSQXEVSA-N 2 2 299.415 -0.474 20 0 CBADLP CO[C@H](C)C[NH+]1CC(O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001376144094 897672834 /nfs/dbraw/zinc/67/28/34/897672834.db2.gz UCJRTXCFPUCKLJ-VXGBXAGGSA-N 2 2 285.388 -0.722 20 0 CBADLP CO[C@H](C)C[NH+]1CC(O)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001376144094 897672838 /nfs/dbraw/zinc/67/28/38/897672838.db2.gz UCJRTXCFPUCKLJ-VXGBXAGGSA-N 2 2 285.388 -0.722 20 0 CBADLP C[N@H+](CC(=O)N[C@@H]1CC[NH+](CC(N)=O)C1)CC(C)(C)C ZINC001376143031 897672929 /nfs/dbraw/zinc/67/29/29/897672929.db2.gz KPASFNSYYLJODG-LLVKDONJSA-N 2 2 284.404 -0.360 20 0 CBADLP C[N@@H+](CC(=O)N[C@@H]1CC[NH+](CC(N)=O)C1)CC(C)(C)C ZINC001376143031 897672936 /nfs/dbraw/zinc/67/29/36/897672936.db2.gz KPASFNSYYLJODG-LLVKDONJSA-N 2 2 284.404 -0.360 20 0 CBADLP C[NH+](CC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1)CC(C)(C)C ZINC001376143031 897672942 /nfs/dbraw/zinc/67/29/42/897672942.db2.gz KPASFNSYYLJODG-LLVKDONJSA-N 2 2 284.404 -0.360 20 0 CBADLP C[NH+](CC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1)CC(C)(C)C ZINC001376143031 897672950 /nfs/dbraw/zinc/67/29/50/897672950.db2.gz KPASFNSYYLJODG-LLVKDONJSA-N 2 2 284.404 -0.360 20 0 CBADLP C[C@H](O)C[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001376159201 897675269 /nfs/dbraw/zinc/67/52/69/897675269.db2.gz SECZSTIMBBKDQL-NWDGAFQWSA-N 2 2 280.372 -0.076 20 0 CBADLP C[C@H](O)C[N@H+]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001376159201 897675276 /nfs/dbraw/zinc/67/52/76/897675276.db2.gz SECZSTIMBBKDQL-NWDGAFQWSA-N 2 2 280.372 -0.076 20 0 CBADLP CCCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001376155953 897676147 /nfs/dbraw/zinc/67/61/47/897676147.db2.gz QYJDJZDGGFNXLU-QWHCGFSZSA-N 2 2 296.415 -0.345 20 0 CBADLP CCCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001376155953 897676157 /nfs/dbraw/zinc/67/61/57/897676157.db2.gz QYJDJZDGGFNXLU-QWHCGFSZSA-N 2 2 296.415 -0.345 20 0 CBADLP CCCNC(=O)C[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001376155953 897676167 /nfs/dbraw/zinc/67/61/67/897676167.db2.gz QYJDJZDGGFNXLU-QWHCGFSZSA-N 2 2 296.415 -0.345 20 0 CBADLP CCCNC(=O)C[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001376155953 897676177 /nfs/dbraw/zinc/67/61/77/897676177.db2.gz QYJDJZDGGFNXLU-QWHCGFSZSA-N 2 2 296.415 -0.345 20 0 CBADLP CC[C@H](C)C[NH+]1CC(O)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001376150251 897677488 /nfs/dbraw/zinc/67/74/88/897677488.db2.gz PJHSPFVFSPAKET-STQMWFEESA-N 2 2 299.415 -0.474 20 0 CBADLP CC[C@H](C)C[NH+]1CC(O)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001376150251 897677497 /nfs/dbraw/zinc/67/74/97/897677497.db2.gz PJHSPFVFSPAKET-STQMWFEESA-N 2 2 299.415 -0.474 20 0 CBADLP C[C@H]([NH2+][C@H](CNC(=O)CCc1c[nH]c[nH+]1)C1CC1)C(N)=O ZINC001376209904 897692088 /nfs/dbraw/zinc/69/20/88/897692088.db2.gz CZOOQGRLEIHMFG-JOYOIKCWSA-N 2 2 293.371 -0.300 20 0 CBADLP C[C@H]([NH2+][C@H](CNC(=O)CCc1c[nH+]c[nH]1)C1CC1)C(N)=O ZINC001376209904 897692098 /nfs/dbraw/zinc/69/20/98/897692098.db2.gz CZOOQGRLEIHMFG-JOYOIKCWSA-N 2 2 293.371 -0.300 20 0 CBADLP CC[C@H]([NH2+][C@H](CNC(=O)Cc1[nH]cc[nH+]1)C1CC1)C(N)=O ZINC001376249234 897698427 /nfs/dbraw/zinc/69/84/27/897698427.db2.gz JZZMKZKRZIWFEA-WDEREUQCSA-N 2 2 293.371 -0.300 20 0 CBADLP CCNC(=O)C[NH2+][C@@H](CNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001376266207 897701560 /nfs/dbraw/zinc/70/15/60/897701560.db2.gz HRDNDRCXRLEDOF-LBPRGKRZSA-N 2 2 293.371 -0.496 20 0 CBADLP CCNC(=O)C[NH2+][C@H](CNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001376266189 897701920 /nfs/dbraw/zinc/70/19/20/897701920.db2.gz HRDNDRCXRLEDOF-GFCCVEGCSA-N 2 2 293.371 -0.496 20 0 CBADLP CC[N@H+]1CCC[C@@](CO)(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001376458086 897742347 /nfs/dbraw/zinc/74/23/47/897742347.db2.gz UGRHCFMBVUXYJK-TZMCWYRMSA-N 2 2 285.388 -0.720 20 0 CBADLP CC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001376458086 897742345 /nfs/dbraw/zinc/74/23/45/897742345.db2.gz UGRHCFMBVUXYJK-TZMCWYRMSA-N 2 2 285.388 -0.720 20 0 CBADLP CC[NH+]1CCC[C@@](CO)(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001376458086 897742353 /nfs/dbraw/zinc/74/23/53/897742353.db2.gz UGRHCFMBVUXYJK-TZMCWYRMSA-N 2 2 285.388 -0.720 20 0 CBADLP CC[NH+]1CCC[C@@](CO)(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001376458086 897742357 /nfs/dbraw/zinc/74/23/57/897742357.db2.gz UGRHCFMBVUXYJK-TZMCWYRMSA-N 2 2 285.388 -0.720 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1cn(C)nn1 ZINC001376768783 897840499 /nfs/dbraw/zinc/84/04/99/897840499.db2.gz XXBZFTPSRJHJKG-WCQYABFASA-N 2 2 294.403 -0.106 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)[NH2+]Cc1cn(C)nn1 ZINC001376768783 897840503 /nfs/dbraw/zinc/84/05/03/897840503.db2.gz XXBZFTPSRJHJKG-WCQYABFASA-N 2 2 294.403 -0.106 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N(C)CCC[N@H+](C)CC(N)=O ZINC001377016059 897910978 /nfs/dbraw/zinc/91/09/78/897910978.db2.gz DSPFHKRXKBLQLW-UHFFFAOYSA-N 2 2 281.360 -0.543 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N(C)CCC[N@@H+](C)CC(N)=O ZINC001377016059 897910990 /nfs/dbraw/zinc/91/09/90/897910990.db2.gz DSPFHKRXKBLQLW-UHFFFAOYSA-N 2 2 281.360 -0.543 20 0 CBADLP CC[C@H](C(=O)NCC[C@@H](C)[NH2+]Cc1nnn(C)n1)[NH+](C)C ZINC001377045849 897917843 /nfs/dbraw/zinc/91/78/43/897917843.db2.gz GMDPRYQRQYFTHR-GHMZBOCLSA-N 2 2 297.407 -0.465 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001377038313 897918291 /nfs/dbraw/zinc/91/82/91/897918291.db2.gz NXNSRZDBEGXKNX-LLVKDONJSA-N 2 2 295.387 -0.087 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001377038313 897918303 /nfs/dbraw/zinc/91/83/03/897918303.db2.gz NXNSRZDBEGXKNX-LLVKDONJSA-N 2 2 295.387 -0.087 20 0 CBADLP C[C@H](CCNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@@H]1CCNC1=O ZINC001377079013 897925214 /nfs/dbraw/zinc/92/52/14/897925214.db2.gz FFZUJPISUVNRAP-NXEZZACHSA-N 2 2 279.344 -0.675 20 0 CBADLP C[C@@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+]CC(=O)N1CCC1 ZINC001377104136 897931483 /nfs/dbraw/zinc/93/14/83/897931483.db2.gz KIKMPFFCIZCDFH-LBPRGKRZSA-N 2 2 293.371 -0.400 20 0 CBADLP C[NH+](C)C1(C(=O)NCC[N@@H+](C)CC(=O)N2CCC2)CCC1 ZINC001377172457 897961435 /nfs/dbraw/zinc/96/14/35/897961435.db2.gz UNRZAVZEZLDLFE-UHFFFAOYSA-N 2 2 296.415 -0.249 20 0 CBADLP C[NH+](C)C1(C(=O)NCC[N@H+](C)CC(=O)N2CCC2)CCC1 ZINC001377172457 897961445 /nfs/dbraw/zinc/96/14/45/897961445.db2.gz UNRZAVZEZLDLFE-UHFFFAOYSA-N 2 2 296.415 -0.249 20 0 CBADLP CNC(=O)C[N@H+](C)CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001377181141 897962059 /nfs/dbraw/zinc/96/20/59/897962059.db2.gz HZTMHEDPRZYWBK-UHFFFAOYSA-N 2 2 296.415 -0.344 20 0 CBADLP CNC(=O)C[N@@H+](C)CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001377181141 897962093 /nfs/dbraw/zinc/96/20/93/897962093.db2.gz HZTMHEDPRZYWBK-UHFFFAOYSA-N 2 2 296.415 -0.344 20 0 CBADLP CCN(CC)C(=O)C[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001377259535 897990780 /nfs/dbraw/zinc/99/07/80/897990780.db2.gz CKRZOHPWCXWQSF-ZDUSSCGKSA-N 2 2 298.431 -0.146 20 0 CBADLP CCN(CC)C(=O)C[N@@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001377259535 897990793 /nfs/dbraw/zinc/99/07/93/897990793.db2.gz CKRZOHPWCXWQSF-ZDUSSCGKSA-N 2 2 298.431 -0.146 20 0 CBADLP CCN(CC)C(=O)C[NH+](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001377259535 897990805 /nfs/dbraw/zinc/99/08/05/897990805.db2.gz CKRZOHPWCXWQSF-ZDUSSCGKSA-N 2 2 298.431 -0.146 20 0 CBADLP CCN(CC)C(=O)C[NH+](C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001377259535 897990818 /nfs/dbraw/zinc/99/08/18/897990818.db2.gz CKRZOHPWCXWQSF-ZDUSSCGKSA-N 2 2 298.431 -0.146 20 0 CBADLP CC[N@H+](CCNC(=O)Cn1cc[nH+]c1)[C@@H]1CCCNC1=O ZINC001377387132 898031416 /nfs/dbraw/zinc/03/14/16/898031416.db2.gz XNCRPZKAKLZSMQ-GFCCVEGCSA-N 2 2 293.371 -0.400 20 0 CBADLP CC[N@@H+](CCNC(=O)Cn1cc[nH+]c1)[C@@H]1CCCNC1=O ZINC001377387132 898031427 /nfs/dbraw/zinc/03/14/27/898031427.db2.gz XNCRPZKAKLZSMQ-GFCCVEGCSA-N 2 2 293.371 -0.400 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)NC[C@@H]1CC[N@H+](CCO)C1 ZINC001377448106 898052909 /nfs/dbraw/zinc/05/29/09/898052909.db2.gz RCFJFPVDFJXKSW-LBPRGKRZSA-N 2 2 280.372 -0.217 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)NC[C@@H]1CC[N@@H+](CCO)C1 ZINC001377448106 898052920 /nfs/dbraw/zinc/05/29/20/898052920.db2.gz RCFJFPVDFJXKSW-LBPRGKRZSA-N 2 2 280.372 -0.217 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)NC[C@H]1CC[N@H+](CCO)C1 ZINC001377448104 898053613 /nfs/dbraw/zinc/05/36/13/898053613.db2.gz RCFJFPVDFJXKSW-GFCCVEGCSA-N 2 2 280.372 -0.217 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)NC[C@H]1CC[N@@H+](CCO)C1 ZINC001377448104 898053622 /nfs/dbraw/zinc/05/36/22/898053622.db2.gz RCFJFPVDFJXKSW-GFCCVEGCSA-N 2 2 280.372 -0.217 20 0 CBADLP O=C(Cn1cc[nH+]c1)NCC[N@H+](C1CC1)[C@H]1CCNC1=O ZINC001377574366 898091256 /nfs/dbraw/zinc/09/12/56/898091256.db2.gz PWMAYXCIAOZMOR-LBPRGKRZSA-N 2 2 291.355 -0.648 20 0 CBADLP O=C(Cn1cc[nH+]c1)NCC[N@@H+](C1CC1)[C@H]1CCNC1=O ZINC001377574366 898091269 /nfs/dbraw/zinc/09/12/69/898091269.db2.gz PWMAYXCIAOZMOR-LBPRGKRZSA-N 2 2 291.355 -0.648 20 0 CBADLP C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H](C)[NH2+]Cc1cnnn1C ZINC001377863944 898152100 /nfs/dbraw/zinc/15/21/00/898152100.db2.gz TWNFJRRUEMZISE-VHSXEESVSA-N 2 2 291.359 -0.236 20 0 CBADLP C[C@@H]([NH2+]Cc1cnnn1C)[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001377863950 898152908 /nfs/dbraw/zinc/15/29/08/898152908.db2.gz TWNFJRRUEMZISE-ZJUUUORDSA-N 2 2 291.359 -0.236 20 0 CBADLP CCCNC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001377901273 898164917 /nfs/dbraw/zinc/16/49/17/898164917.db2.gz JAHLSLVLWHAAJX-NEPJUHHUSA-N 2 2 295.387 -0.108 20 0 CBADLP C[C@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)[NH2+]Cc1nncn1C ZINC001377912558 898168472 /nfs/dbraw/zinc/16/84/72/898168472.db2.gz WSQCNTPUASJORC-QWRGUYRKSA-N 2 2 291.359 -0.305 20 0 CBADLP C[NH+](C)CCC(=O)NCC1C[NH+](CC(=O)N2CCC2)C1 ZINC001377993019 898189797 /nfs/dbraw/zinc/18/97/97/898189797.db2.gz LZGGFESRLDEESA-UHFFFAOYSA-N 2 2 282.388 -0.782 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CC(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001378014200 898196572 /nfs/dbraw/zinc/19/65/72/898196572.db2.gz DUTDBJJTHGYCLN-GHMZBOCLSA-N 2 2 282.388 -0.750 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CC(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001378014200 898196585 /nfs/dbraw/zinc/19/65/85/898196585.db2.gz DUTDBJJTHGYCLN-GHMZBOCLSA-N 2 2 282.388 -0.750 20 0 CBADLP CC[C@@H](C(=O)N[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1)[NH+](C)C ZINC001378123671 898247336 /nfs/dbraw/zinc/24/73/36/898247336.db2.gz YSVNFDDPFLJBBH-GRYCIOLGSA-N 2 2 282.388 -0.594 20 0 CBADLP CC[C@@H](C(=O)N[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1)[NH+](C)C ZINC001378123671 898247351 /nfs/dbraw/zinc/24/73/51/898247351.db2.gz YSVNFDDPFLJBBH-GRYCIOLGSA-N 2 2 282.388 -0.594 20 0 CBADLP CC[C@@H](CNC(=O)CCn1cc[nH+]c1)[NH2+][C@@H]1CCNC1=O ZINC001378281697 898304797 /nfs/dbraw/zinc/30/47/97/898304797.db2.gz GHLJUVAQHKRIIG-NWDGAFQWSA-N 2 2 293.371 -0.354 20 0 CBADLP CC[C@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+][C@@H](C)C(=O)NC ZINC001378318348 898310905 /nfs/dbraw/zinc/31/09/05/898310905.db2.gz NLNOPHKVTIIMFO-WDEREUQCSA-N 2 2 295.387 -0.419 20 0 CBADLP CC[C@@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+][C@H](C)C(=O)NC ZINC001378318345 898311952 /nfs/dbraw/zinc/31/19/52/898311952.db2.gz NLNOPHKVTIIMFO-MNOVXSKESA-N 2 2 295.387 -0.419 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H]1C[NH2+]CC(N)=O ZINC001378508322 898341434 /nfs/dbraw/zinc/34/14/34/898341434.db2.gz CZDICQBEIGGJRU-ZYHUDNBSSA-N 2 2 293.371 -0.346 20 0 CBADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H]1C[NH2+]CC(N)=O ZINC001378508322 898341453 /nfs/dbraw/zinc/34/14/53/898341453.db2.gz CZDICQBEIGGJRU-ZYHUDNBSSA-N 2 2 293.371 -0.346 20 0 CBADLP C[C@H]([NH2+]C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1)C(N)=O ZINC001378522794 898344527 /nfs/dbraw/zinc/34/45/27/898344527.db2.gz LRFYAZYTJSKRSM-WDEREUQCSA-N 2 2 279.344 -0.663 20 0 CBADLP C[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1C[NH+](CC(N)=O)C1 ZINC001378588992 898360343 /nfs/dbraw/zinc/36/03/43/898360343.db2.gz VVTIBDSYZNACSK-MNOVXSKESA-N 2 2 282.388 -0.750 20 0 CBADLP C[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1C[NH+](CC(N)=O)C1 ZINC001378588992 898360351 /nfs/dbraw/zinc/36/03/51/898360351.db2.gz VVTIBDSYZNACSK-MNOVXSKESA-N 2 2 282.388 -0.750 20 0 CBADLP C[C@H](CNC(=O)CCn1cc[nH+]c1)C[NH2+][C@@H](C)C(N)=O ZINC001378594618 898364223 /nfs/dbraw/zinc/36/42/23/898364223.db2.gz PYTURDSJJGPZLM-QWRGUYRKSA-N 2 2 281.360 -0.511 20 0 CBADLP CCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001378596375 898364392 /nfs/dbraw/zinc/36/43/92/898364392.db2.gz YVDYDHWRVVMQDZ-NEPJUHHUSA-N 2 2 296.415 -0.489 20 0 CBADLP CCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001378596375 898364403 /nfs/dbraw/zinc/36/44/03/898364403.db2.gz YVDYDHWRVVMQDZ-NEPJUHHUSA-N 2 2 296.415 -0.489 20 0 CBADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+]Cc1cn(C)nn1 ZINC001378633256 898373098 /nfs/dbraw/zinc/37/30/98/898373098.db2.gz LAQWOGHGONYABB-LLVKDONJSA-N 2 2 291.359 -0.446 20 0 CBADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(N)=O)CC1(C)C ZINC001378670549 898388803 /nfs/dbraw/zinc/38/88/03/898388803.db2.gz ZJBRVTWAPVXZQY-LLVKDONJSA-N 2 2 284.404 -0.360 20 0 CBADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(N)=O)CC1(C)C ZINC001378670549 898388817 /nfs/dbraw/zinc/38/88/17/898388817.db2.gz ZJBRVTWAPVXZQY-LLVKDONJSA-N 2 2 284.404 -0.360 20 0 CBADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC(N)=O)CC1(C)C ZINC001378670549 898388830 /nfs/dbraw/zinc/38/88/30/898388830.db2.gz ZJBRVTWAPVXZQY-LLVKDONJSA-N 2 2 284.404 -0.360 20 0 CBADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(N)=O)CC1(C)C ZINC001378670549 898388844 /nfs/dbraw/zinc/38/88/44/898388844.db2.gz ZJBRVTWAPVXZQY-LLVKDONJSA-N 2 2 284.404 -0.360 20 0 CBADLP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2C[NH+](CCO)CCO2)C1 ZINC001378683532 898391567 /nfs/dbraw/zinc/39/15/67/898391567.db2.gz ITQFWSOSQWRPRO-STQMWFEESA-N 2 2 285.388 -0.863 20 0 CBADLP C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2C[NH+](CCO)CCO2)C1 ZINC001378683532 898391575 /nfs/dbraw/zinc/39/15/75/898391575.db2.gz ITQFWSOSQWRPRO-STQMWFEESA-N 2 2 285.388 -0.863 20 0 CBADLP C[C@H]1CC[NH+](CC(=O)NC[C@H]2C[N@H+](CCO)CCO2)C1 ZINC001378683532 898391583 /nfs/dbraw/zinc/39/15/83/898391583.db2.gz ITQFWSOSQWRPRO-STQMWFEESA-N 2 2 285.388 -0.863 20 0 CBADLP C[C@H]1CC[NH+](CC(=O)NC[C@H]2C[N@@H+](CCO)CCO2)C1 ZINC001378683532 898391594 /nfs/dbraw/zinc/39/15/94/898391594.db2.gz ITQFWSOSQWRPRO-STQMWFEESA-N 2 2 285.388 -0.863 20 0 CBADLP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2C[NH+](CCO)CCO2)C1 ZINC001378683531 898392034 /nfs/dbraw/zinc/39/20/34/898392034.db2.gz ITQFWSOSQWRPRO-QWHCGFSZSA-N 2 2 285.388 -0.863 20 0 CBADLP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2C[NH+](CCO)CCO2)C1 ZINC001378683531 898392050 /nfs/dbraw/zinc/39/20/50/898392050.db2.gz ITQFWSOSQWRPRO-QWHCGFSZSA-N 2 2 285.388 -0.863 20 0 CBADLP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@H+](CCO)CCO2)C1 ZINC001378683531 898392063 /nfs/dbraw/zinc/39/20/63/898392063.db2.gz ITQFWSOSQWRPRO-QWHCGFSZSA-N 2 2 285.388 -0.863 20 0 CBADLP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@@H+](CCO)CCO2)C1 ZINC001378683531 898392077 /nfs/dbraw/zinc/39/20/77/898392077.db2.gz ITQFWSOSQWRPRO-QWHCGFSZSA-N 2 2 285.388 -0.863 20 0 CBADLP C[C@@H](O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3c[nH+]cn3C)[C@@H]2C1 ZINC001378742733 898399902 /nfs/dbraw/zinc/39/99/02/898399902.db2.gz BFWPJXOIQPNJPX-ZRJCITRHSA-N 2 2 292.383 -0.363 20 0 CBADLP C[C@@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3c[nH+]cn3C)[C@@H]2C1 ZINC001378742733 898399915 /nfs/dbraw/zinc/39/99/15/898399915.db2.gz BFWPJXOIQPNJPX-ZRJCITRHSA-N 2 2 292.383 -0.363 20 0 CBADLP C[C@H](C[NH2+]CC(N)=O)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC001378804546 898413144 /nfs/dbraw/zinc/41/31/44/898413144.db2.gz AQKJOSGTVGVDKS-SNVBAGLBSA-N 2 2 289.339 -0.130 20 0 CBADLP CCN(C)C(=O)C[NH2+]C[C@@H](C)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001378817065 898415903 /nfs/dbraw/zinc/41/59/03/898415903.db2.gz FDSYDBPXYUJMCO-LLVKDONJSA-N 2 2 295.387 -0.133 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@H](C)C[NH2+][C@H]1CCNC1=O ZINC001378853401 898422536 /nfs/dbraw/zinc/42/25/36/898422536.db2.gz ZLMLEBQCPJLMPB-KOLCDFICSA-N 2 2 293.371 -0.414 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@@H](C)C[NH2+][C@@H](C)C(N)=O ZINC001378851364 898424325 /nfs/dbraw/zinc/42/43/25/898424325.db2.gz WBKWHNRJWOLTJP-WPRPVWTQSA-N 2 2 281.360 -0.429 20 0 CBADLP C[C@@H](C[NH2+]Cc1cn(C)nn1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001378875735 898426061 /nfs/dbraw/zinc/42/60/61/898426061.db2.gz UGHFXBIQCKCWIS-NSHDSACASA-N 2 2 291.359 -0.352 20 0 CBADLP CC(C)C[C@H](C[NH2+][C@@H](C)C(N)=O)NC(=O)Cc1[nH]cc[nH+]1 ZINC001378877330 898427388 /nfs/dbraw/zinc/42/73/88/898427388.db2.gz HHSXXMRVSGMQHT-WDEREUQCSA-N 2 2 295.387 -0.054 20 0 CBADLP C[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)C1)C(N)=O ZINC001378870103 898428275 /nfs/dbraw/zinc/42/82/75/898428275.db2.gz KSTUJKWHJRNFGC-DCAQKATOSA-N 2 2 293.371 -0.679 20 0 CBADLP CC(C)[C@@H](CNC(=O)CCc1[nH+]ccn1C)[NH2+]CC(N)=O ZINC001378969168 898438131 /nfs/dbraw/zinc/43/81/31/898438131.db2.gz RKTXBDLSWMJRAS-LLVKDONJSA-N 2 2 295.387 -0.432 20 0 CBADLP C[C@H](CN(C)C(=O)c1cc(C[NH+](C)C)on1)[NH2+]CC(N)=O ZINC001379173501 898489102 /nfs/dbraw/zinc/48/91/02/898489102.db2.gz SDRIIFUUUMCLCO-SECBINFHSA-N 2 2 297.359 -0.728 20 0 CBADLP O=C(NC[C@H](O)C[NH2+]CC1CC1)[C@H]1CCc2c[nH+]cn2C1 ZINC001379208060 898505577 /nfs/dbraw/zinc/50/55/77/898505577.db2.gz OKLFNLKSIMEHFP-GXTWGEPZSA-N 2 2 292.383 -0.078 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NC[C@H](O)C[NH2+]Cc1ccon1 ZINC001379240093 898517907 /nfs/dbraw/zinc/51/79/07/898517907.db2.gz XTHPNJODAYAHCL-GFCCVEGCSA-N 2 2 293.327 -0.554 20 0 CBADLP C[C@H](CN(C)C(=O)Cc1c[nH+]cn1C)[NH2+][C@@H](C)C(N)=O ZINC001379278321 898535663 /nfs/dbraw/zinc/53/56/63/898535663.db2.gz PCSDLRFUTTVSMJ-ZJUUUORDSA-N 2 2 281.360 -0.727 20 0 CBADLP Cc1cc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CCC[N@H+]2C)no1 ZINC001379376286 898590685 /nfs/dbraw/zinc/59/06/85/898590685.db2.gz XHLRVPHNBQKNJF-STQMWFEESA-N 2 2 296.371 -0.356 20 0 CBADLP Cc1cc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CCC[N@@H+]2C)no1 ZINC001379376286 898590698 /nfs/dbraw/zinc/59/06/98/898590698.db2.gz XHLRVPHNBQKNJF-STQMWFEESA-N 2 2 296.371 -0.356 20 0 CBADLP CC[C@H](C(=O)NC[C@H](CO)[NH2+]Cc1ccon1)[NH+](C)C ZINC001379435272 898615186 /nfs/dbraw/zinc/61/51/86/898615186.db2.gz LEKAVRYTCCSAPF-VXGBXAGGSA-N 2 2 284.360 -0.419 20 0 CBADLP CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001379455406 898620145 /nfs/dbraw/zinc/62/01/45/898620145.db2.gz FSSVVSWLDYJDFC-LLVKDONJSA-N 2 2 295.387 -0.417 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@H](C)C[NH2+]Cc1cn(C)nn1 ZINC001379473248 898629715 /nfs/dbraw/zinc/62/97/15/898629715.db2.gz ZUDYXOXVRMOPDB-SNVBAGLBSA-N 2 2 291.359 -0.385 20 0 CBADLP C[C@H](C[NH2+][C@H]1CCN(C)C1=O)NC(=O)Cn1cc[nH+]c1 ZINC001379483824 898631288 /nfs/dbraw/zinc/63/12/88/898631288.db2.gz WLEIJKLSRYFEKQ-MNOVXSKESA-N 2 2 279.344 -0.792 20 0 CBADLP COC[C@H](C)[NH2+][C@H](CO)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001379510471 898651886 /nfs/dbraw/zinc/65/18/86/898651886.db2.gz YMZFSEWFIJEGFY-UWVGGRQHSA-N 2 2 270.333 -0.946 20 0 CBADLP CCCNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001379562787 898670278 /nfs/dbraw/zinc/67/02/78/898670278.db2.gz JPFIFVYZGMETCQ-QWRGUYRKSA-N 2 2 295.387 -0.039 20 0 CBADLP CNC(=O)C[NH2+]C[C@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001379605730 898681721 /nfs/dbraw/zinc/68/17/21/898681721.db2.gz KABMSRBIASFUBL-NSHDSACASA-N 2 2 281.360 -0.496 20 0 CBADLP CNC(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCCC[NH+]1C ZINC001379700818 898701714 /nfs/dbraw/zinc/70/17/14/898701714.db2.gz RSULSRUDQZMSMX-NWDGAFQWSA-N 2 2 284.404 -0.347 20 0 CBADLP CNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCCC[NH+]1C ZINC001379700818 898701725 /nfs/dbraw/zinc/70/17/25/898701725.db2.gz RSULSRUDQZMSMX-NWDGAFQWSA-N 2 2 284.404 -0.347 20 0 CBADLP CNC(=O)C[NH+](C)C[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001379700818 898701730 /nfs/dbraw/zinc/70/17/30/898701730.db2.gz RSULSRUDQZMSMX-NWDGAFQWSA-N 2 2 284.404 -0.347 20 0 CBADLP CNC(=O)C[NH+](C)C[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001379700818 898701744 /nfs/dbraw/zinc/70/17/44/898701744.db2.gz RSULSRUDQZMSMX-NWDGAFQWSA-N 2 2 284.404 -0.347 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+](C)C[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001379717748 898706237 /nfs/dbraw/zinc/70/62/37/898706237.db2.gz FGGHZNDIFSJRHU-NWDGAFQWSA-N 2 2 295.387 -0.156 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+](C)C[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001379717748 898706244 /nfs/dbraw/zinc/70/62/44/898706244.db2.gz FGGHZNDIFSJRHU-NWDGAFQWSA-N 2 2 295.387 -0.156 20 0 CBADLP CC[C@H](C(N)=O)[N@H+](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001379789531 898732695 /nfs/dbraw/zinc/73/26/95/898732695.db2.gz NEMRWJFYXRKEOE-CMPLNLGQSA-N 2 2 295.387 -0.108 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001379789531 898732703 /nfs/dbraw/zinc/73/27/03/898732703.db2.gz NEMRWJFYXRKEOE-CMPLNLGQSA-N 2 2 295.387 -0.108 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001379811111 898735978 /nfs/dbraw/zinc/73/59/78/898735978.db2.gz VLUIRBOPTAVBDY-MNOVXSKESA-N 2 2 281.360 -0.417 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001379811111 898735986 /nfs/dbraw/zinc/73/59/86/898735986.db2.gz VLUIRBOPTAVBDY-MNOVXSKESA-N 2 2 281.360 -0.417 20 0 CBADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001379908603 898757337 /nfs/dbraw/zinc/75/73/37/898757337.db2.gz LWNZYVNGVGKJRT-JOYOIKCWSA-N 2 2 293.371 -0.442 20 0 CBADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001379908603 898757346 /nfs/dbraw/zinc/75/73/46/898757346.db2.gz LWNZYVNGVGKJRT-JOYOIKCWSA-N 2 2 293.371 -0.442 20 0 CBADLP CN(C[C@H](O)C[N@H+](C)CCO)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001379974971 898781144 /nfs/dbraw/zinc/78/11/44/898781144.db2.gz JMSVAYPYQVFXKO-LLVKDONJSA-N 2 2 298.387 -0.569 20 0 CBADLP CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001379974971 898781153 /nfs/dbraw/zinc/78/11/53/898781153.db2.gz JMSVAYPYQVFXKO-LLVKDONJSA-N 2 2 298.387 -0.569 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+]1CC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001380005422 898786753 /nfs/dbraw/zinc/78/67/53/898786753.db2.gz ATYRLMNSLHREFX-RYUDHWBXSA-N 2 2 296.415 -0.347 20 0 CBADLP CNC(=O)[C@H](C)[N@H+]1CC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001380005422 898786760 /nfs/dbraw/zinc/78/67/60/898786760.db2.gz ATYRLMNSLHREFX-RYUDHWBXSA-N 2 2 296.415 -0.347 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001380005420 898786908 /nfs/dbraw/zinc/78/69/08/898786908.db2.gz ATYRLMNSLHREFX-NWDGAFQWSA-N 2 2 296.415 -0.347 20 0 CBADLP CNC(=O)[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001380005420 898786913 /nfs/dbraw/zinc/78/69/13/898786913.db2.gz ATYRLMNSLHREFX-NWDGAFQWSA-N 2 2 296.415 -0.347 20 0 CBADLP NC(=O)C[NH2+]C1(CNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001380099634 898807740 /nfs/dbraw/zinc/80/77/40/898807740.db2.gz GBZAUZYNWIWCLR-UHFFFAOYSA-N 2 2 287.323 -0.100 20 0 CBADLP COC[C@@H](O)C[NH+]1CC(N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC001380242882 898839616 /nfs/dbraw/zinc/83/96/16/898839616.db2.gz VDOXDSQRBBUNRM-ZDUSSCGKSA-N 2 2 296.371 -0.659 20 0 CBADLP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001380267139 898844883 /nfs/dbraw/zinc/84/48/83/898844883.db2.gz LAEAGVNWJQBEJA-GHMZBOCLSA-N 2 2 293.371 -0.333 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CC[C@@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001380375832 898871840 /nfs/dbraw/zinc/87/18/40/898871840.db2.gz KUMORNIXKGKQEC-BXUZGUMPSA-N 2 2 282.388 -0.463 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CC[C@@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001380375832 898871855 /nfs/dbraw/zinc/87/18/55/898871855.db2.gz KUMORNIXKGKQEC-BXUZGUMPSA-N 2 2 282.388 -0.463 20 0 CBADLP CC[C@@H](C(=O)NCC1(O)C[NH+](C[C@@H](C)OC)C1)[NH+](C)C ZINC001380612064 898921869 /nfs/dbraw/zinc/92/18/69/898921869.db2.gz GDBOIQHTSSQFIN-NEPJUHHUSA-N 2 2 287.404 -0.476 20 0 CBADLP CCCC[NH+]1CC(O)(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001380651474 898928110 /nfs/dbraw/zinc/92/81/10/898928110.db2.gz WSHNEEXMQXGAHB-ZDUSSCGKSA-N 2 2 299.415 -0.330 20 0 CBADLP CCCC[NH+]1CC(O)(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001380651474 898928115 /nfs/dbraw/zinc/92/81/15/898928115.db2.gz WSHNEEXMQXGAHB-ZDUSSCGKSA-N 2 2 299.415 -0.330 20 0 CBADLP CNC(=O)C[NH2+]C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001380683515 898934661 /nfs/dbraw/zinc/93/46/61/898934661.db2.gz BWMQUUJZFDFCRS-MNOVXSKESA-N 2 2 293.371 -0.618 20 0 CBADLP NC(=O)C[NH2+]C[C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001380798930 898953263 /nfs/dbraw/zinc/95/32/63/898953263.db2.gz LGSVTZWDWITUBW-HAQNSBGRSA-N 2 2 293.371 -0.367 20 0 CBADLP CCC[N@@H+]1CCOC[C@@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001380833869 898959559 /nfs/dbraw/zinc/95/95/59/898959559.db2.gz SYLGIVMQYOWNHF-AWEZNQCLSA-N 2 2 299.415 -0.064 20 0 CBADLP CCC[N@H+]1CCOC[C@@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001380833869 898959565 /nfs/dbraw/zinc/95/95/65/898959565.db2.gz SYLGIVMQYOWNHF-AWEZNQCLSA-N 2 2 299.415 -0.064 20 0 CBADLP CO[C@H](C)C[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001380919234 898970629 /nfs/dbraw/zinc/97/06/29/898970629.db2.gz SOFQNZHOWOPXGP-YPMHNXCESA-N 2 2 296.371 -0.196 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1COC2(C[NH+](CCCO)C2)C1 ZINC001381013722 898985009 /nfs/dbraw/zinc/98/50/09/898985009.db2.gz HAYGLTPYRKABHH-ZDUSSCGKSA-N 2 2 299.415 -0.332 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1COC2(C[NH+](CCCO)C2)C1 ZINC001381013722 898985017 /nfs/dbraw/zinc/98/50/17/898985017.db2.gz HAYGLTPYRKABHH-ZDUSSCGKSA-N 2 2 299.415 -0.332 20 0 CBADLP C[C@@H](NC(=O)Cc1c[nH+]cn1C)[C@H](C)[NH2+]CC(=O)N(C)C ZINC001381445825 899054130 /nfs/dbraw/zinc/05/41/30/899054130.db2.gz RKIXTQMKQFKSIC-WDEREUQCSA-N 2 2 295.387 -0.466 20 0 CBADLP CC[NH+]1CC(CCO)(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001381653693 899103049 /nfs/dbraw/zinc/10/30/49/899103049.db2.gz CJGLVWCVEKCLGH-CYBMUJFWSA-N 2 2 281.400 -0.099 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@H](C)C1C[NH+]([C@H](C)C(N)=O)C1 ZINC001381804865 899115207 /nfs/dbraw/zinc/11/52/07/899115207.db2.gz SYNOZNUIDWWEBL-GHMZBOCLSA-N 2 2 293.371 -0.498 20 0 CBADLP CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001382004515 899138866 /nfs/dbraw/zinc/13/88/66/899138866.db2.gz DVBURDVHVGHOLD-HAQNSBGRSA-N 2 2 293.371 -0.496 20 0 CBADLP C[C@@H]([NH2+][C@@H](C)CN(C)C(=O)Cc1c[nH+]c[nH]1)C(=O)N(C)C ZINC001382126590 899160131 /nfs/dbraw/zinc/16/01/31/899160131.db2.gz XSYJKXSGKVNKPT-WDEREUQCSA-N 2 2 295.387 -0.135 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]Cc1cscn1 ZINC001382183161 899181224 /nfs/dbraw/zinc/18/12/24/899181224.db2.gz LFELPXVJFABFIW-JQWIXIFHSA-N 2 2 298.412 -0.196 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]Cc1cscn1 ZINC001382183161 899181231 /nfs/dbraw/zinc/18/12/31/899181231.db2.gz LFELPXVJFABFIW-JQWIXIFHSA-N 2 2 298.412 -0.196 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]Cc1cnns1 ZINC001382185617 899181928 /nfs/dbraw/zinc/18/19/28/899181928.db2.gz QGEDBHPHUZJCSV-MWLCHTKSSA-N 2 2 299.400 -0.801 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]Cc1cnns1 ZINC001382185617 899181938 /nfs/dbraw/zinc/18/19/38/899181938.db2.gz QGEDBHPHUZJCSV-MWLCHTKSSA-N 2 2 299.400 -0.801 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC[C@@H](CO)[NH2+]C[C@H]1CCOC1 ZINC001382265404 899219467 /nfs/dbraw/zinc/21/94/67/899219467.db2.gz IRBDGAALOMXASZ-NEPJUHHUSA-N 2 2 296.371 -0.934 20 0 CBADLP C[C@@H]1[C@@H]([NH2+]Cc2nnn(C)n2)CCN1C(=O)CC[NH+](C)C ZINC001382293208 899237781 /nfs/dbraw/zinc/23/77/81/899237781.db2.gz XTHDMQALZJVOMO-MNOVXSKESA-N 2 2 295.391 -0.759 20 0 CBADLP Cc1nnc(C[NH2+]C[C@H](O)CN(C)C(=O)CC[NH+](C)C)o1 ZINC001382413278 899282321 /nfs/dbraw/zinc/28/23/21/899282321.db2.gz JZYWPVZNAJNNJM-NSHDSACASA-N 2 2 299.375 -0.761 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@H](O)C[N@H+](C)CCF ZINC001382485256 899316090 /nfs/dbraw/zinc/31/60/90/899316090.db2.gz VLLIFNIBXHYAME-LLVKDONJSA-N 2 2 286.351 -0.019 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@H](O)C[N@@H+](C)CCF ZINC001382485256 899316101 /nfs/dbraw/zinc/31/61/01/899316101.db2.gz VLLIFNIBXHYAME-LLVKDONJSA-N 2 2 286.351 -0.019 20 0 CBADLP CC[C@H](C(=O)NC[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1)[NH+](C)C ZINC001386396988 899656563 /nfs/dbraw/zinc/65/65/63/899656563.db2.gz NRWJDZZAKARKEQ-GHMZBOCLSA-N 2 2 295.387 -0.087 20 0 CBADLP CC[NH+](CC)CC(=O)N(C)CCNC(=O)Cn1cc[nH+]c1 ZINC001386967412 899736042 /nfs/dbraw/zinc/73/60/42/899736042.db2.gz CCZRYPBPQGFVDQ-UHFFFAOYSA-N 2 2 295.387 -0.201 20 0 CBADLP C[C@@H](CNC(=O)CCn1cc[nH+]c1)NC(=O)CC[NH+](C)C ZINC001386984514 899739320 /nfs/dbraw/zinc/73/93/20/899739320.db2.gz SMGATJAALAKJLS-LBPRGKRZSA-N 2 2 295.387 -0.154 20 0 CBADLP C[C@H](CNC(=O)CC[NH+](C)C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001387100648 899762318 /nfs/dbraw/zinc/76/23/18/899762318.db2.gz FDQGNSXKZOMMEY-LLVKDONJSA-N 2 2 295.387 -0.085 20 0 CBADLP C[C@H](CNC(=O)CC[NH+](C)C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001387100648 899762328 /nfs/dbraw/zinc/76/23/28/899762328.db2.gz FDQGNSXKZOMMEY-LLVKDONJSA-N 2 2 295.387 -0.085 20 0 CBADLP CC[C@H](C(=O)N(C)CCNC(=O)Cc1[nH]cc[nH+]1)[NH+](C)C ZINC001388014976 899862192 /nfs/dbraw/zinc/86/21/92/899862192.db2.gz DHYGSDUZLSZQHI-LLVKDONJSA-N 2 2 295.387 -0.133 20 0 CBADLP C[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)CCn2cc[nH+]c2)C1)C(N)=O ZINC001388725518 899905239 /nfs/dbraw/zinc/90/52/39/899905239.db2.gz JXVOSEPCLYSSTF-IJLUTSLNSA-N 2 2 293.371 -0.369 20 0 CBADLP CC[C@@H]1[C@@H](NC(=O)CCn2cc[nH+]c2)CC[N@@H+]1CC(N)=O ZINC001388772014 899907910 /nfs/dbraw/zinc/90/79/10/899907910.db2.gz OTTLUFHWPRYTFO-NWDGAFQWSA-N 2 2 293.371 -0.272 20 0 CBADLP CC[C@@H]1[C@@H](NC(=O)CCn2cc[nH+]c2)CC[N@H+]1CC(N)=O ZINC001388772014 899907916 /nfs/dbraw/zinc/90/79/16/899907916.db2.gz OTTLUFHWPRYTFO-NWDGAFQWSA-N 2 2 293.371 -0.272 20 0 CBADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001389320026 899993930 /nfs/dbraw/zinc/99/39/30/899993930.db2.gz OZAUHQYSHOLCIA-WDEREUQCSA-N 2 2 293.371 -0.333 20 0 CBADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001389320026 899993942 /nfs/dbraw/zinc/99/39/42/899993942.db2.gz OZAUHQYSHOLCIA-WDEREUQCSA-N 2 2 293.371 -0.333 20 0 CBADLP CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001389514546 900033206 /nfs/dbraw/zinc/03/32/06/900033206.db2.gz TVGXXTQKSSHNKR-LBPRGKRZSA-N 2 2 282.388 -0.591 20 0 CBADLP CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001389514546 900033217 /nfs/dbraw/zinc/03/32/17/900033217.db2.gz TVGXXTQKSSHNKR-LBPRGKRZSA-N 2 2 282.388 -0.591 20 0 CBADLP CC[C@@H]([NH2+][C@H](CNC(=O)Cn1cc[nH+]c1)C1CC1)C(N)=O ZINC001389696268 900058067 /nfs/dbraw/zinc/05/80/67/900058067.db2.gz RSZQBZTVQLOLSK-VXGBXAGGSA-N 2 2 293.371 -0.369 20 0 CBADLP C[NH+](C)CCC(=O)NC[C@@H]1CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001389728660 900063223 /nfs/dbraw/zinc/06/32/23/900063223.db2.gz ZKUZYKWVQIDTDX-LBPRGKRZSA-N 2 2 293.371 -0.379 20 0 CBADLP COC[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001389849946 900084084 /nfs/dbraw/zinc/08/40/84/900084084.db2.gz CRJRPCRRLXLMFH-JHJVBQTASA-N 2 2 296.371 -0.414 20 0 CBADLP COC[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001389849946 900084093 /nfs/dbraw/zinc/08/40/93/900084093.db2.gz CRJRPCRRLXLMFH-JHJVBQTASA-N 2 2 296.371 -0.414 20 0 CBADLP CC(C)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001390013567 900103370 /nfs/dbraw/zinc/10/33/70/900103370.db2.gz VSNJYGUTAMXXSS-PHIMTYICSA-N 2 2 293.371 -0.286 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CCC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001390079939 900112912 /nfs/dbraw/zinc/11/29/12/900112912.db2.gz RBYOZPGHTAFFLN-NEPJUHHUSA-N 2 2 293.371 -0.415 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CCC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001390079939 900112917 /nfs/dbraw/zinc/11/29/17/900112917.db2.gz RBYOZPGHTAFFLN-NEPJUHHUSA-N 2 2 293.371 -0.415 20 0 CBADLP C[C@@H]([NH2+]C[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1)C(N)=O ZINC001390161732 900119629 /nfs/dbraw/zinc/11/96/29/900119629.db2.gz OSHXCAGFFKXEKB-MNOVXSKESA-N 2 2 293.371 -0.203 20 0 CBADLP C[C@@H]([NH2+]C[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1)C(N)=O ZINC001390161730 900119882 /nfs/dbraw/zinc/11/98/82/900119882.db2.gz OSHXCAGFFKXEKB-GHMZBOCLSA-N 2 2 293.371 -0.203 20 0 CBADLP CNC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001390424886 900156076 /nfs/dbraw/zinc/15/60/76/900156076.db2.gz VLMQQSKCMIMBJO-GHMZBOCLSA-N 2 2 293.371 -0.714 20 0 CBADLP C[C@@H](CNC(=O)CCn1cc[nH+]c1)[NH2+][C@@H]1CCN(C)C1=O ZINC001390461766 900166188 /nfs/dbraw/zinc/16/61/88/900166188.db2.gz SQEVAZDCCULJLT-NWDGAFQWSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@@H]1CCCN(C)C1=O ZINC001390495558 900175888 /nfs/dbraw/zinc/17/58/88/900175888.db2.gz OPDKUTMVNRIXDP-GHMZBOCLSA-N 2 2 293.371 -0.333 20 0 CBADLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+][C@@H](C)C(=O)N(C)C ZINC001390508795 900178777 /nfs/dbraw/zinc/17/87/77/900178777.db2.gz MRDHJWWBODEDCJ-QWRGUYRKSA-N 2 2 295.387 -0.466 20 0 CBADLP Cc1nnc(C[NH2+][C@@H](C)CNC(=O)C[NH+]2CCCC2)[nH]1 ZINC001390516872 900178852 /nfs/dbraw/zinc/17/88/52/900178852.db2.gz DXXIXIBXASKPJO-JTQLQIEISA-N 2 2 280.376 -0.197 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)[NH2+][C@@H]1CCCNC1=O ZINC001390520577 900180523 /nfs/dbraw/zinc/18/05/23/900180523.db2.gz HMZBHMGODZAKRT-MWLCHTKSSA-N 2 2 293.371 -0.366 20 0 CBADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+][C@@H](C)C(=O)N(C)C ZINC001390508791 900181043 /nfs/dbraw/zinc/18/10/43/900181043.db2.gz MRDHJWWBODEDCJ-MNOVXSKESA-N 2 2 295.387 -0.466 20 0 CBADLP COC[C@@H](O)C[NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001390593796 900194474 /nfs/dbraw/zinc/19/44/74/900194474.db2.gz HEDSAYQPDXFSMT-OLZOCXBDSA-N 2 2 296.371 -0.672 20 0 CBADLP CCNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001390743427 900223159 /nfs/dbraw/zinc/22/31/59/900223159.db2.gz VFGKDXUCRVZLPA-NSHDSACASA-N 2 2 270.377 -0.735 20 0 CBADLP CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001390743427 900223174 /nfs/dbraw/zinc/22/31/74/900223174.db2.gz VFGKDXUCRVZLPA-NSHDSACASA-N 2 2 270.377 -0.735 20 0 CBADLP CCNC(=O)C[NH+](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001390743427 900223188 /nfs/dbraw/zinc/22/31/88/900223188.db2.gz VFGKDXUCRVZLPA-NSHDSACASA-N 2 2 270.377 -0.735 20 0 CBADLP CCNC(=O)C[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001390743427 900223198 /nfs/dbraw/zinc/22/31/98/900223198.db2.gz VFGKDXUCRVZLPA-NSHDSACASA-N 2 2 270.377 -0.735 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NCC[N@@H+](C)CC(=O)N1CCC1 ZINC001390783718 900244320 /nfs/dbraw/zinc/24/43/20/900244320.db2.gz FPIUEBCTGSQHNK-UHFFFAOYSA-N 2 2 293.371 -0.528 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NCC[N@H+](C)CC(=O)N1CCC1 ZINC001390783718 900244337 /nfs/dbraw/zinc/24/43/37/900244337.db2.gz FPIUEBCTGSQHNK-UHFFFAOYSA-N 2 2 293.371 -0.528 20 0 CBADLP CCNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001390802817 900250761 /nfs/dbraw/zinc/25/07/61/900250761.db2.gz WVHPDAXSUXYFEH-LBPRGKRZSA-N 2 2 284.404 -0.345 20 0 CBADLP CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001390802817 900250770 /nfs/dbraw/zinc/25/07/70/900250770.db2.gz WVHPDAXSUXYFEH-LBPRGKRZSA-N 2 2 284.404 -0.345 20 0 CBADLP CCNC(=O)C[NH+](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001390802817 900250778 /nfs/dbraw/zinc/25/07/78/900250778.db2.gz WVHPDAXSUXYFEH-LBPRGKRZSA-N 2 2 284.404 -0.345 20 0 CBADLP CCNC(=O)C[NH+](C)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001390802817 900250789 /nfs/dbraw/zinc/25/07/89/900250789.db2.gz WVHPDAXSUXYFEH-LBPRGKRZSA-N 2 2 284.404 -0.345 20 0 CBADLP CCNC(=O)C[N@H+](C)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001390817078 900256536 /nfs/dbraw/zinc/25/65/36/900256536.db2.gz KGJVXJASBFSUEQ-GFCCVEGCSA-N 2 2 284.404 -0.488 20 0 CBADLP CCNC(=O)C[N@@H+](C)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001390817078 900256548 /nfs/dbraw/zinc/25/65/48/900256548.db2.gz KGJVXJASBFSUEQ-GFCCVEGCSA-N 2 2 284.404 -0.488 20 0 CBADLP CCNC(=O)C[NH+](C)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001390817078 900256561 /nfs/dbraw/zinc/25/65/61/900256561.db2.gz KGJVXJASBFSUEQ-GFCCVEGCSA-N 2 2 284.404 -0.488 20 0 CBADLP CCNC(=O)C[NH+](C)CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001390817078 900256570 /nfs/dbraw/zinc/25/65/70/900256570.db2.gz KGJVXJASBFSUEQ-GFCCVEGCSA-N 2 2 284.404 -0.488 20 0 CBADLP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCC[N@H+](C)CC(N)=O)C1 ZINC001390843391 900266531 /nfs/dbraw/zinc/26/65/31/900266531.db2.gz GMNCPKLQGHQVCF-NWDGAFQWSA-N 2 2 284.404 -0.360 20 0 CBADLP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCC[N@@H+](C)CC(N)=O)C1 ZINC001390843391 900266541 /nfs/dbraw/zinc/26/65/41/900266541.db2.gz GMNCPKLQGHQVCF-NWDGAFQWSA-N 2 2 284.404 -0.360 20 0 CBADLP CC(C)N(C)C(=O)C[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001390857715 900266705 /nfs/dbraw/zinc/26/67/05/900266705.db2.gz COCNFNDOQMMOEW-ZDUSSCGKSA-N 2 2 298.431 -0.147 20 0 CBADLP CC(C)N(C)C(=O)C[N@@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001390857715 900266719 /nfs/dbraw/zinc/26/67/19/900266719.db2.gz COCNFNDOQMMOEW-ZDUSSCGKSA-N 2 2 298.431 -0.147 20 0 CBADLP CC(C)N(C)C(=O)C[NH+](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001390857715 900266733 /nfs/dbraw/zinc/26/67/33/900266733.db2.gz COCNFNDOQMMOEW-ZDUSSCGKSA-N 2 2 298.431 -0.147 20 0 CBADLP CC(C)N(C)C(=O)C[NH+](C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001390857715 900266746 /nfs/dbraw/zinc/26/67/46/900266746.db2.gz COCNFNDOQMMOEW-ZDUSSCGKSA-N 2 2 298.431 -0.147 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NCC[N@@H+](C)[C@H]1CCN(C)C1=O ZINC001390856464 900267348 /nfs/dbraw/zinc/26/73/48/900267348.db2.gz CCLHWOMDFFXUCN-LBPRGKRZSA-N 2 2 293.371 -0.530 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NCC[N@H+](C)[C@H]1CCN(C)C1=O ZINC001390856464 900267361 /nfs/dbraw/zinc/26/73/61/900267361.db2.gz CCLHWOMDFFXUCN-LBPRGKRZSA-N 2 2 293.371 -0.530 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NCC[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC001390856462 900267951 /nfs/dbraw/zinc/26/79/51/900267951.db2.gz CCLHWOMDFFXUCN-GFCCVEGCSA-N 2 2 293.371 -0.530 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NCC[N@H+](C)[C@@H]1CCN(C)C1=O ZINC001390856462 900267960 /nfs/dbraw/zinc/26/79/60/900267960.db2.gz CCLHWOMDFFXUCN-GFCCVEGCSA-N 2 2 293.371 -0.530 20 0 CBADLP COC[C@@H](O)C[N@@H+]1CCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001391085542 900302844 /nfs/dbraw/zinc/30/28/44/900302844.db2.gz ZGEPXOOCWWJMSZ-STQMWFEESA-N 2 2 296.371 -0.529 20 0 CBADLP COC[C@@H](O)C[N@H+]1CCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001391085542 900302855 /nfs/dbraw/zinc/30/28/55/900302855.db2.gz ZGEPXOOCWWJMSZ-STQMWFEESA-N 2 2 296.371 -0.529 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001391108546 900313239 /nfs/dbraw/zinc/31/32/39/900313239.db2.gz HDSNJGSRQHMODX-LLVKDONJSA-N 2 2 293.371 -0.555 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001391108546 900313246 /nfs/dbraw/zinc/31/32/46/900313246.db2.gz HDSNJGSRQHMODX-LLVKDONJSA-N 2 2 293.371 -0.555 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001391109698 900313674 /nfs/dbraw/zinc/31/36/74/900313674.db2.gz NDUDTRQEQNXAQL-GHMZBOCLSA-N 2 2 293.371 -0.475 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001391109698 900313681 /nfs/dbraw/zinc/31/36/81/900313681.db2.gz NDUDTRQEQNXAQL-GHMZBOCLSA-N 2 2 293.371 -0.475 20 0 CBADLP C[C@H]1CC[N@H+](CC(=O)NCC[NH+](CC(N)=O)C2CC2)C1 ZINC001391180956 900330574 /nfs/dbraw/zinc/33/05/74/900330574.db2.gz BGOVSWOGCDBWCK-NSHDSACASA-N 2 2 282.388 -0.606 20 0 CBADLP C[C@H]1CC[N@@H+](CC(=O)NCC[NH+](CC(N)=O)C2CC2)C1 ZINC001391180956 900330587 /nfs/dbraw/zinc/33/05/87/900330587.db2.gz BGOVSWOGCDBWCK-NSHDSACASA-N 2 2 282.388 -0.606 20 0 CBADLP C[C@H]1CC[NH+](CC(=O)NCC[N@H+](CC(N)=O)C2CC2)C1 ZINC001391180956 900330600 /nfs/dbraw/zinc/33/06/00/900330600.db2.gz BGOVSWOGCDBWCK-NSHDSACASA-N 2 2 282.388 -0.606 20 0 CBADLP C[C@H]1CC[NH+](CC(=O)NCC[N@@H+](CC(N)=O)C2CC2)C1 ZINC001391180956 900330613 /nfs/dbraw/zinc/33/06/13/900330613.db2.gz BGOVSWOGCDBWCK-NSHDSACASA-N 2 2 282.388 -0.606 20 0 CBADLP COC[C@H](O)C[NH+]1CC(NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001391446283 900381752 /nfs/dbraw/zinc/38/17/52/900381752.db2.gz GRZLAJIMEDTCOQ-WCQYABFASA-N 2 2 285.388 -0.864 20 0 CBADLP CC(C)[C@H](C(=O)NCC1C[NH+](CC(N)=O)C1)[NH+](C)C ZINC001391517611 900398063 /nfs/dbraw/zinc/39/80/63/900398063.db2.gz SDKRYGNVACEECG-GFCCVEGCSA-N 2 2 270.377 -0.894 20 0 CBADLP CCC[N@H+](C)CCC(=O)NCC1C[NH+](CC(=O)NC)C1 ZINC001391521063 900401013 /nfs/dbraw/zinc/40/10/13/900401013.db2.gz AZBWISRDWRNSEB-UHFFFAOYSA-N 2 2 284.404 -0.488 20 0 CBADLP CCC[N@@H+](C)CCC(=O)NCC1C[NH+](CC(=O)NC)C1 ZINC001391521063 900401020 /nfs/dbraw/zinc/40/10/20/900401020.db2.gz AZBWISRDWRNSEB-UHFFFAOYSA-N 2 2 284.404 -0.488 20 0 CBADLP CNC(=O)[C@H](C)[NH+]1CC(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001391527748 900401114 /nfs/dbraw/zinc/40/11/14/900401114.db2.gz XRHPCTOOUYTJHF-NSHDSACASA-N 2 2 284.404 -0.491 20 0 CBADLP CNC(=O)[C@H](C)[NH+]1CC(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001391527748 900401120 /nfs/dbraw/zinc/40/11/20/900401120.db2.gz XRHPCTOOUYTJHF-NSHDSACASA-N 2 2 284.404 -0.491 20 0 CBADLP CCC[N@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[NH+]2[C@H](C)C(N)=O ZINC001391535660 900402089 /nfs/dbraw/zinc/40/20/89/900402089.db2.gz FXGCAZQFCVUYQG-AGIUHOORSA-N 2 2 296.415 -0.123 20 0 CBADLP CCC[N@@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[NH+]2[C@H](C)C(N)=O ZINC001391535660 900402097 /nfs/dbraw/zinc/40/20/97/900402097.db2.gz FXGCAZQFCVUYQG-AGIUHOORSA-N 2 2 296.415 -0.123 20 0 CBADLP CCC[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H](C)C(N)=O ZINC001391535660 900402103 /nfs/dbraw/zinc/40/21/03/900402103.db2.gz FXGCAZQFCVUYQG-AGIUHOORSA-N 2 2 296.415 -0.123 20 0 CBADLP CCC[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H](C)C(N)=O ZINC001391535660 900402110 /nfs/dbraw/zinc/40/21/10/900402110.db2.gz FXGCAZQFCVUYQG-AGIUHOORSA-N 2 2 296.415 -0.123 20 0 CBADLP COC[C@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1c[nH+]c[nH]1 ZINC001391539167 900404640 /nfs/dbraw/zinc/40/46/40/900404640.db2.gz DMXKSWOPUPAGAC-RWMBFGLXSA-N 2 2 294.355 -0.755 20 0 CBADLP COC[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1c[nH+]c[nH]1 ZINC001391539167 900404649 /nfs/dbraw/zinc/40/46/49/900404649.db2.gz DMXKSWOPUPAGAC-RWMBFGLXSA-N 2 2 294.355 -0.755 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)N[C@H]1CC[N@H+](CCCO)C1 ZINC001391566159 900409520 /nfs/dbraw/zinc/40/95/20/900409520.db2.gz IXBGRLKSHUZQAM-LBPRGKRZSA-N 2 2 280.372 -0.074 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)N[C@H]1CC[N@@H+](CCCO)C1 ZINC001391566159 900409531 /nfs/dbraw/zinc/40/95/31/900409531.db2.gz IXBGRLKSHUZQAM-LBPRGKRZSA-N 2 2 280.372 -0.074 20 0 CBADLP CC[C@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+]CC(=O)N(C)C ZINC001391695549 900434367 /nfs/dbraw/zinc/43/43/67/900434367.db2.gz UYSFGLSAIIRNMB-LLVKDONJSA-N 2 2 295.387 -0.085 20 0 CBADLP CC[C@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH2+]CC(=O)N(C)C ZINC001391695549 900434372 /nfs/dbraw/zinc/43/43/72/900434372.db2.gz UYSFGLSAIIRNMB-LLVKDONJSA-N 2 2 295.387 -0.085 20 0 CBADLP CC[C@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)[NH2+]CC(N)=O ZINC001391711008 900436559 /nfs/dbraw/zinc/43/65/59/900436559.db2.gz ZCYPTPCFZGKUJE-GHMZBOCLSA-N 2 2 293.371 -0.585 20 0 CBADLP CC[C@@H]([NH2+][C@@H](CC)CNC(=O)Cc1c[nH]c[nH+]1)C(N)=O ZINC001391731306 900442003 /nfs/dbraw/zinc/44/20/03/900442003.db2.gz YXCZTJKKOIJVHW-GXSJLCMTSA-N 2 2 281.360 -0.300 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]C[C@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001391911402 900464453 /nfs/dbraw/zinc/46/44/53/900464453.db2.gz KCYNBVKNSMIFCX-NWDGAFQWSA-N 2 2 295.387 -0.250 20 0 CBADLP C[C@@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)C[NH2+]CC(N)=O ZINC001391933600 900465925 /nfs/dbraw/zinc/46/59/25/900465925.db2.gz ULGXELCXPBRAKK-MNOVXSKESA-N 2 2 281.360 -0.339 20 0 CBADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C[NH2+]Cc1cnnn1C ZINC001391933113 900467047 /nfs/dbraw/zinc/46/70/47/900467047.db2.gz SMXIFKOWVOERMN-SNVBAGLBSA-N 2 2 291.359 -0.377 20 0 CBADLP C[C@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)C[NH2+]CC(N)=O ZINC001391933602 900467639 /nfs/dbraw/zinc/46/76/39/900467639.db2.gz ULGXELCXPBRAKK-WDEREUQCSA-N 2 2 281.360 -0.339 20 0 CBADLP CC[C@H]([NH2+]C[C@H](C)CNC(=O)Cn1cc[nH+]c1)C(N)=O ZINC001391965713 900474104 /nfs/dbraw/zinc/47/41/04/900474104.db2.gz LOCPJZVNCGLEAD-QWRGUYRKSA-N 2 2 281.360 -0.511 20 0 CBADLP CC[C@@H]([NH2+]C[C@H](C)CNC(=O)Cn1cc[nH+]c1)C(N)=O ZINC001391965717 900474434 /nfs/dbraw/zinc/47/44/34/900474434.db2.gz LOCPJZVNCGLEAD-WDEREUQCSA-N 2 2 281.360 -0.511 20 0 CBADLP C[C@H](O)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001391970898 900477263 /nfs/dbraw/zinc/47/72/63/900477263.db2.gz JYBNNAVLMAMKDO-GXTWGEPZSA-N 2 2 299.415 -0.332 20 0 CBADLP C[C@H](O)C[N@H+]1CCO[C@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001391970898 900477267 /nfs/dbraw/zinc/47/72/67/900477267.db2.gz JYBNNAVLMAMKDO-GXTWGEPZSA-N 2 2 299.415 -0.332 20 0 CBADLP C[C@H](O)C[NH+]1CCO[C@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001391970898 900477270 /nfs/dbraw/zinc/47/72/70/900477270.db2.gz JYBNNAVLMAMKDO-GXTWGEPZSA-N 2 2 299.415 -0.332 20 0 CBADLP C[C@H](O)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001391970898 900477275 /nfs/dbraw/zinc/47/72/75/900477275.db2.gz JYBNNAVLMAMKDO-GXTWGEPZSA-N 2 2 299.415 -0.332 20 0 CBADLP C[NH+](C)CC1(C(=O)NC[C@H]2C[N@H+](CCO)CCO2)CC1 ZINC001391981655 900483783 /nfs/dbraw/zinc/48/37/83/900483783.db2.gz PGZPGVRGFAMXMT-LBPRGKRZSA-N 2 2 285.388 -0.863 20 0 CBADLP C[NH+](C)CC1(C(=O)NC[C@H]2C[N@@H+](CCO)CCO2)CC1 ZINC001391981655 900483790 /nfs/dbraw/zinc/48/37/90/900483790.db2.gz PGZPGVRGFAMXMT-LBPRGKRZSA-N 2 2 285.388 -0.863 20 0 CBADLP C[C@H](C[NH2+][C@H](C)C(=O)N(C)C)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001392109935 900514661 /nfs/dbraw/zinc/51/46/61/900514661.db2.gz SLSMTQOOYPOWPQ-GHMZBOCLSA-N 2 2 295.387 -0.135 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C[NH2+]CC(N)=O)CC(C)C ZINC001392161880 900526501 /nfs/dbraw/zinc/52/65/01/900526501.db2.gz GACLWVUUESJLAI-NSHDSACASA-N 2 2 295.387 -0.134 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H](O)C[NH2+]Cc1ccccn1 ZINC001392407403 900604958 /nfs/dbraw/zinc/60/49/58/900604958.db2.gz FADYHFXJRRACGW-LBPRGKRZSA-N 2 2 289.339 -0.386 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H](O)C[NH2+]C[C@@H]1CCCOC1 ZINC001392410672 900608168 /nfs/dbraw/zinc/60/81/68/900608168.db2.gz OPJBMVCRXPPOFK-NWDGAFQWSA-N 2 2 296.371 -0.555 20 0 CBADLP CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1nc(C)no1)[NH+](C)C ZINC001392425138 900614099 /nfs/dbraw/zinc/61/40/99/900614099.db2.gz OYSWBWUFMIYBBX-QWRGUYRKSA-N 2 2 299.375 -0.715 20 0 CBADLP CC[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1nc(C)no1)[NH+](C)C ZINC001392425135 900614896 /nfs/dbraw/zinc/61/48/96/900614896.db2.gz OYSWBWUFMIYBBX-MNOVXSKESA-N 2 2 299.375 -0.715 20 0 CBADLP CCN(CC[NH2+][C@@H](C)C(=O)NC)C(=O)CCc1c[nH]c[nH+]1 ZINC001392444692 900620100 /nfs/dbraw/zinc/62/01/00/900620100.db2.gz UWTOTPHZUKEGSO-NSHDSACASA-N 2 2 295.387 -0.085 20 0 CBADLP CCN(CC[NH2+][C@@H](C)C(=O)NC)C(=O)CCc1c[nH+]c[nH]1 ZINC001392444692 900620111 /nfs/dbraw/zinc/62/01/11/900620111.db2.gz UWTOTPHZUKEGSO-NSHDSACASA-N 2 2 295.387 -0.085 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[NH2+]Cc1cnon1 ZINC001392497955 900636783 /nfs/dbraw/zinc/63/67/83/900636783.db2.gz NQKVTGWINPPKKI-SECBINFHSA-N 2 2 278.316 -0.131 20 0 CBADLP Cc1ncc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2C[N@H+](C)CCO2)o1 ZINC001392552122 900658625 /nfs/dbraw/zinc/65/86/25/900658625.db2.gz IEOPIYHRQSTXPZ-GWCFXTLKSA-N 2 2 296.371 -0.092 20 0 CBADLP Cc1ncc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2C[N@@H+](C)CCO2)o1 ZINC001392552122 900658632 /nfs/dbraw/zinc/65/86/32/900658632.db2.gz IEOPIYHRQSTXPZ-GWCFXTLKSA-N 2 2 296.371 -0.092 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C)C[NH2+]CC(=O)N(C)C ZINC001392603692 900672690 /nfs/dbraw/zinc/67/26/90/900672690.db2.gz VYVVBEMCCAXMCQ-MNOVXSKESA-N 2 2 295.387 -0.229 20 0 CBADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C)C[NH2+]CC(=O)N(C)C ZINC001392603692 900672696 /nfs/dbraw/zinc/67/26/96/900672696.db2.gz VYVVBEMCCAXMCQ-MNOVXSKESA-N 2 2 295.387 -0.229 20 0 CBADLP C[C@H](C[N@H+](C)[C@@H]1CCNC1=O)NC(=O)Cn1cc[nH+]c1 ZINC001392728156 900714061 /nfs/dbraw/zinc/71/40/61/900714061.db2.gz WXHHVRRFRVTNKX-GHMZBOCLSA-N 2 2 279.344 -0.792 20 0 CBADLP C[C@H](C[N@@H+](C)[C@@H]1CCNC1=O)NC(=O)Cn1cc[nH+]c1 ZINC001392728156 900714070 /nfs/dbraw/zinc/71/40/70/900714070.db2.gz WXHHVRRFRVTNKX-GHMZBOCLSA-N 2 2 279.344 -0.792 20 0 CBADLP C[C@H]([NH2+]C[C@@H](NC(=O)CCn1cc[nH+]c1)C1CC1)C(N)=O ZINC001392787536 900724230 /nfs/dbraw/zinc/72/42/30/900724230.db2.gz XUWYNRQPIHWGJH-CMPLNLGQSA-N 2 2 293.371 -0.369 20 0 CBADLP C[C@@H](O)C[NH2+]C[C@H](NC(=O)Cc1c[nH+]cn1C)C1CC1 ZINC001392799259 900728270 /nfs/dbraw/zinc/72/82/70/900728270.db2.gz KVKLYEGTWLGZGE-MFKMUULPSA-N 2 2 280.372 -0.172 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C[NH2+][C@@H](C)C(N)=O)C1CC1 ZINC001392809871 900731657 /nfs/dbraw/zinc/73/16/57/900731657.db2.gz VYLDDPGLTUTXSJ-JOYOIKCWSA-N 2 2 293.371 -0.381 20 0 CBADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001392824200 900733700 /nfs/dbraw/zinc/73/37/00/900733700.db2.gz VRIYJKKCPSDCLH-NWDGAFQWSA-N 2 2 293.371 -0.544 20 0 CBADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001392824200 900733710 /nfs/dbraw/zinc/73/37/10/900733710.db2.gz VRIYJKKCPSDCLH-NWDGAFQWSA-N 2 2 293.371 -0.544 20 0 CBADLP C[C@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001392846048 900741088 /nfs/dbraw/zinc/74/10/88/900741088.db2.gz IVQHZIOFKFTKOP-NWDGAFQWSA-N 2 2 280.372 -0.076 20 0 CBADLP C[C@H](O)C[N@H+]1CC[C@@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001392846048 900741092 /nfs/dbraw/zinc/74/10/92/900741092.db2.gz IVQHZIOFKFTKOP-NWDGAFQWSA-N 2 2 280.372 -0.076 20 0 CBADLP Cn1ncnc1C[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001392891047 900752088 /nfs/dbraw/zinc/75/20/88/900752088.db2.gz YNZGBTYZAAUVCF-LLVKDONJSA-N 2 2 292.387 -0.352 20 0 CBADLP Cn1ncnc1C[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001392891047 900752095 /nfs/dbraw/zinc/75/20/95/900752095.db2.gz YNZGBTYZAAUVCF-LLVKDONJSA-N 2 2 292.387 -0.352 20 0 CBADLP O=C(NCC1([NH2+]CCO)CC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001392920442 900761078 /nfs/dbraw/zinc/76/10/78/900761078.db2.gz UOHYBSZFZVULMI-LLVKDONJSA-N 2 2 278.356 -0.324 20 0 CBADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)NC(=O)CC[NH+](C)C ZINC001393060104 900786595 /nfs/dbraw/zinc/78/65/95/900786595.db2.gz GWEKZTAVEZCWBP-JTQLQIEISA-N 2 2 281.360 -0.475 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@]1(O)CC[N@H+](CCCF)C1 ZINC001393273091 900821298 /nfs/dbraw/zinc/82/12/98/900821298.db2.gz VAPBZOCBCYXKFU-CYBMUJFWSA-N 2 2 284.335 -0.135 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@]1(O)CC[N@@H+](CCCF)C1 ZINC001393273091 900821304 /nfs/dbraw/zinc/82/13/04/900821304.db2.gz VAPBZOCBCYXKFU-CYBMUJFWSA-N 2 2 284.335 -0.135 20 0 CBADLP COC[C@H](C)[NH+]1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001393312812 900839214 /nfs/dbraw/zinc/83/92/14/900839214.db2.gz BMKHAPPHDGUPEB-YNEHKIRRSA-N 2 2 299.415 -0.476 20 0 CBADLP COC[C@H](C)[NH+]1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001393312812 900839222 /nfs/dbraw/zinc/83/92/22/900839222.db2.gz BMKHAPPHDGUPEB-YNEHKIRRSA-N 2 2 299.415 -0.476 20 0 CBADLP CC[C@@H](C(=O)NCC1(O)C[NH+]([C@@H](C)COC)C1)[NH+](C)C ZINC001393337435 900843658 /nfs/dbraw/zinc/84/36/58/900843658.db2.gz FMIXUTDYFMHRGQ-RYUDHWBXSA-N 2 2 287.404 -0.476 20 0 CBADLP CC[C@@H](C(=O)NCC1(O)C[NH+]([C@H](C)COC)C1)[NH+](C)C ZINC001393337433 900844240 /nfs/dbraw/zinc/84/42/40/900844240.db2.gz FMIXUTDYFMHRGQ-NEPJUHHUSA-N 2 2 287.404 -0.476 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@]1(CO)CCC[N@@H+](CCCO)C1 ZINC001393468315 900860697 /nfs/dbraw/zinc/86/06/97/900860697.db2.gz UOTMNERGMVOTDV-CQSZACIVSA-N 2 2 296.371 -0.791 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@]1(CO)CCC[N@H+](CCCO)C1 ZINC001393468315 900860701 /nfs/dbraw/zinc/86/07/01/900860701.db2.gz UOTMNERGMVOTDV-CQSZACIVSA-N 2 2 296.371 -0.791 20 0 CBADLP C[C@H](O)C[NH+]1CC2(C1)C[C@@H](NC(=O)CCC[NH+](C)C)CO2 ZINC001393678269 900894502 /nfs/dbraw/zinc/89/45/02/900894502.db2.gz WOXGLIUSWHNIGV-QWHCGFSZSA-N 2 2 299.415 -0.332 20 0 CBADLP CNC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC001393741872 900899413 /nfs/dbraw/zinc/89/94/13/900899413.db2.gz KJPNFELXUKZERM-WDEREUQCSA-N 2 2 279.344 -0.934 20 0 CBADLP CNC(=O)[C@H](C)[N@H+](C)[C@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001394135793 900983444 /nfs/dbraw/zinc/98/34/44/900983444.db2.gz XBLDMSUCUYWOGK-MNOVXSKESA-N 2 2 295.387 -0.237 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+](C)[C@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001394135793 900983455 /nfs/dbraw/zinc/98/34/55/900983455.db2.gz XBLDMSUCUYWOGK-MNOVXSKESA-N 2 2 295.387 -0.237 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001394333647 901012875 /nfs/dbraw/zinc/01/28/75/901012875.db2.gz KRMZMTIWHCLJQO-FIQHERPVSA-N 2 2 291.355 -0.949 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001394333647 901012888 /nfs/dbraw/zinc/01/28/88/901012888.db2.gz KRMZMTIWHCLJQO-FIQHERPVSA-N 2 2 291.355 -0.949 20 0 CBADLP C[C@H]([NH2+]CCO)[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CCO1 ZINC001394330650 901013327 /nfs/dbraw/zinc/01/33/27/901013327.db2.gz OHDFAELBVPLNMM-WCQYABFASA-N 2 2 296.371 -0.840 20 0 CBADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001394335451 901013606 /nfs/dbraw/zinc/01/36/06/901013606.db2.gz OYOBEOTTZJNABV-DOERSZECSA-N 2 2 292.383 -0.125 20 0 CBADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001394335451 901013613 /nfs/dbraw/zinc/01/36/13/901013613.db2.gz OYOBEOTTZJNABV-DOERSZECSA-N 2 2 292.383 -0.125 20 0 CBADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001394335451 901013623 /nfs/dbraw/zinc/01/36/23/901013623.db2.gz OYOBEOTTZJNABV-DOERSZECSA-N 2 2 292.383 -0.125 20 0 CBADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001394335451 901013629 /nfs/dbraw/zinc/01/36/29/901013629.db2.gz OYOBEOTTZJNABV-DOERSZECSA-N 2 2 292.383 -0.125 20 0 CBADLP C[C@H]([NH2+]CCO)[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CCO1 ZINC001394330612 901013964 /nfs/dbraw/zinc/01/39/64/901013964.db2.gz OHDFAELBVPLNMM-AAEUAGOBSA-N 2 2 296.371 -0.840 20 0 CBADLP CNC(=O)C[NH2+]C[C@H](C1CC1)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001394447419 901027271 /nfs/dbraw/zinc/02/72/71/901027271.db2.gz JEZAATUQIPZQMA-GFCCVEGCSA-N 2 2 293.371 -0.475 20 0 CBADLP CC[C@@H]([NH2+][C@@H](C)CN(C)C(=O)Cc1[nH]cc[nH+]1)C(N)=O ZINC001394545945 901045827 /nfs/dbraw/zinc/04/58/27/901045827.db2.gz PKZJRTOGULFEBJ-VHSXEESVSA-N 2 2 281.360 -0.347 20 0 CBADLP CCNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001394664163 901111636 /nfs/dbraw/zinc/11/16/36/901111636.db2.gz BEIHEFPZEBQSNT-JQWIXIFHSA-N 2 2 293.371 -0.333 20 0 CBADLP CCNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001394664167 901113371 /nfs/dbraw/zinc/11/33/71/901113371.db2.gz BEIHEFPZEBQSNT-PWSUYJOCSA-N 2 2 293.371 -0.333 20 0 CBADLP CO[C@@H](C)C[NH2+]C[C@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001394761264 901142545 /nfs/dbraw/zinc/14/25/45/901142545.db2.gz ZFXFSSUJVHXXQE-JQWIXIFHSA-N 2 2 284.360 -0.604 20 0 CBADLP CO[C@@H](C)C[N@H+](C)C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001394786082 901153794 /nfs/dbraw/zinc/15/37/94/901153794.db2.gz CECUZODZIZCRPQ-STQMWFEESA-N 2 2 298.387 -0.331 20 0 CBADLP CO[C@@H](C)C[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001394786082 901153801 /nfs/dbraw/zinc/15/38/01/901153801.db2.gz CECUZODZIZCRPQ-STQMWFEESA-N 2 2 298.387 -0.331 20 0 CBADLP C[NH+](C)CCC(=O)N[C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001397288195 901382431 /nfs/dbraw/zinc/38/24/31/901382431.db2.gz FOOBXIMMUKORCR-PHIMTYICSA-N 2 2 293.371 -0.333 20 0 CBADLP CCC[N@H+](C)CC(=O)N[C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001397551816 901428443 /nfs/dbraw/zinc/42/84/43/901428443.db2.gz ZPHUAUGSMAJCGI-NSHDSACASA-N 2 2 295.387 -0.085 20 0 CBADLP CCC[N@@H+](C)CC(=O)N[C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001397551816 901428451 /nfs/dbraw/zinc/42/84/51/901428451.db2.gz ZPHUAUGSMAJCGI-NSHDSACASA-N 2 2 295.387 -0.085 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001397663185 901444449 /nfs/dbraw/zinc/44/44/49/901444449.db2.gz ITQLGQSAKGIBGB-GMTAPVOTSA-N 2 2 293.371 -0.442 20 0 CBADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001397663185 901444453 /nfs/dbraw/zinc/44/44/53/901444453.db2.gz ITQLGQSAKGIBGB-GMTAPVOTSA-N 2 2 293.371 -0.442 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1Cc1cnnn1C ZINC001397796390 901457232 /nfs/dbraw/zinc/45/72/32/901457232.db2.gz GEQRATFPCPMTCC-YPMHNXCESA-N 2 2 294.403 -0.154 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@H+]1Cc1cnnn1C ZINC001397796390 901457238 /nfs/dbraw/zinc/45/72/38/901457238.db2.gz GEQRATFPCPMTCC-YPMHNXCESA-N 2 2 294.403 -0.154 20 0 CBADLP C[NH+](C)C1(C(=O)N[C@@H]2CCC[N@H+](CC(N)=O)C2)CCC1 ZINC001398228773 901508964 /nfs/dbraw/zinc/50/89/64/901508964.db2.gz KFWTXBHEVKKWOB-LLVKDONJSA-N 2 2 282.388 -0.463 20 0 CBADLP C[NH+](C)C1(C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)C2)CCC1 ZINC001398228773 901508970 /nfs/dbraw/zinc/50/89/70/901508970.db2.gz KFWTXBHEVKKWOB-LLVKDONJSA-N 2 2 282.388 -0.463 20 0 CBADLP CC[C@H]([NH2+][C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C1CC1)C(N)=O ZINC001398440581 901537744 /nfs/dbraw/zinc/53/77/44/901537744.db2.gz LEBZBRXZCXKWOQ-RYUDHWBXSA-N 2 2 293.371 -0.300 20 0 CBADLP CCCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001398669588 901588471 /nfs/dbraw/zinc/58/84/71/901588471.db2.gz VVOBLGHCMRJHKZ-TXEJJXNPSA-N 2 2 293.371 -0.354 20 0 CBADLP C[C@H](CNC(=O)c1cccc2[nH+]ccn21)[NH2+]CC(N)=O ZINC001398997991 901644041 /nfs/dbraw/zinc/64/40/41/901644041.db2.gz AGYPKUOXEJCSEP-SECBINFHSA-N 2 2 275.312 -0.473 20 0 CBADLP CC[C@H]([NH2+][C@@H](C)CNC(=O)CCn1cc[nH+]c1)C(N)=O ZINC001399048875 901657927 /nfs/dbraw/zinc/65/79/27/901657927.db2.gz QPBUDKASPAURLP-QWRGUYRKSA-N 2 2 281.360 -0.369 20 0 CBADLP CC[C@H]([NH2+][C@@H](C)CNC(=O)Cc1c[nH+]cn1C)C(N)=O ZINC001399096213 901662571 /nfs/dbraw/zinc/66/25/71/901662571.db2.gz BJFOZFKHNVNXFT-ONGXEEELSA-N 2 2 281.360 -0.679 20 0 CBADLP CNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001399112338 901668453 /nfs/dbraw/zinc/66/84/53/901668453.db2.gz JHLQYQBQQVGRAB-ZJUUUORDSA-N 2 2 281.360 -0.571 20 0 CBADLP CNC(=O)C[NH2+][C@@H](C)CNC(=O)CCCn1cc[nH+]c1 ZINC001399159311 901676196 /nfs/dbraw/zinc/67/61/96/901676196.db2.gz TUVYDHKXKCKDBJ-NSHDSACASA-N 2 2 281.360 -0.496 20 0 CBADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1cnnn1C ZINC001399156227 901676260 /nfs/dbraw/zinc/67/62/60/901676260.db2.gz INMUOWGYPOUNIA-SNVBAGLBSA-N 2 2 277.332 -0.694 20 0 CBADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1cnnn1C ZINC001399156221 901677754 /nfs/dbraw/zinc/67/77/54/901677754.db2.gz INMUOWGYPOUNIA-JTQLQIEISA-N 2 2 277.332 -0.694 20 0 CBADLP C[C@H](CCNC(=O)CCc1[nH+]ccn1C)[NH2+][C@@H](C)C(N)=O ZINC001399365015 901704431 /nfs/dbraw/zinc/70/44/31/901704431.db2.gz BGFDFZBYRZNCSN-MNOVXSKESA-N 2 2 295.387 -0.289 20 0 CBADLP C[C@@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+][C@@H]1CCN(C)C1=O ZINC001399425661 901713530 /nfs/dbraw/zinc/71/35/30/901713530.db2.gz HQERZFAFVNLNNG-NWDGAFQWSA-N 2 2 293.371 -0.402 20 0 CBADLP CC[C@@H](C)NC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001399657626 901771330 /nfs/dbraw/zinc/77/13/30/901771330.db2.gz RZQIGYGKHQRDHA-CHWSQXEVSA-N 2 2 298.431 -0.099 20 0 CBADLP CC[C@@H](C)NC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001399657626 901771345 /nfs/dbraw/zinc/77/13/45/901771345.db2.gz RZQIGYGKHQRDHA-CHWSQXEVSA-N 2 2 298.431 -0.099 20 0 CBADLP CC[C@@H](C)NC(=O)C[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001399657626 901771354 /nfs/dbraw/zinc/77/13/54/901771354.db2.gz RZQIGYGKHQRDHA-CHWSQXEVSA-N 2 2 298.431 -0.099 20 0 CBADLP CC[C@@H](C)NC(=O)C[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001399657626 901771366 /nfs/dbraw/zinc/77/13/66/901771366.db2.gz RZQIGYGKHQRDHA-CHWSQXEVSA-N 2 2 298.431 -0.099 20 0 CBADLP CC[NH+](CC)CC(=O)N[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001399969530 901845714 /nfs/dbraw/zinc/84/57/14/901845714.db2.gz CBMRKJMWIVOJNS-LLVKDONJSA-N 2 2 295.387 -0.085 20 0 CBADLP CCC[N@H+](CCNC(=O)Cc1c[nH+]cn1C)CC(=O)NC ZINC001399972574 901847406 /nfs/dbraw/zinc/84/74/06/901847406.db2.gz GIIXCBIYMMKZKE-UHFFFAOYSA-N 2 2 295.387 -0.463 20 0 CBADLP CCC[N@@H+](CCNC(=O)Cc1c[nH+]cn1C)CC(=O)NC ZINC001399972574 901847412 /nfs/dbraw/zinc/84/74/12/901847412.db2.gz GIIXCBIYMMKZKE-UHFFFAOYSA-N 2 2 295.387 -0.463 20 0 CBADLP CCC[N@H+](CCNC(=O)Cc1c[nH+]cn1C)[C@H](C)C(N)=O ZINC001399980723 901851838 /nfs/dbraw/zinc/85/18/38/901851838.db2.gz RNSHCMLPYUMBAI-LLVKDONJSA-N 2 2 295.387 -0.335 20 0 CBADLP CCC[N@@H+](CCNC(=O)Cc1c[nH+]cn1C)[C@H](C)C(N)=O ZINC001399980723 901851844 /nfs/dbraw/zinc/85/18/44/901851844.db2.gz RNSHCMLPYUMBAI-LLVKDONJSA-N 2 2 295.387 -0.335 20 0 CBADLP CC[N@H+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2[C@@H](C)C(N)=O ZINC001400117958 901880727 /nfs/dbraw/zinc/88/07/27/901880727.db2.gz XKZQWLACRFXVAU-RWMBFGLXSA-N 2 2 296.415 -0.123 20 0 CBADLP CC[N@@H+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2[C@@H](C)C(N)=O ZINC001400117958 901880736 /nfs/dbraw/zinc/88/07/36/901880736.db2.gz XKZQWLACRFXVAU-RWMBFGLXSA-N 2 2 296.415 -0.123 20 0 CBADLP CC[NH+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)C(N)=O ZINC001400117958 901880742 /nfs/dbraw/zinc/88/07/42/901880742.db2.gz XKZQWLACRFXVAU-RWMBFGLXSA-N 2 2 296.415 -0.123 20 0 CBADLP CC[NH+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(N)=O ZINC001400117958 901880753 /nfs/dbraw/zinc/88/07/53/901880753.db2.gz XKZQWLACRFXVAU-RWMBFGLXSA-N 2 2 296.415 -0.123 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001400186865 901892317 /nfs/dbraw/zinc/89/23/17/901892317.db2.gz JTLKOPHVKAEYFD-LLVKDONJSA-N 2 2 293.371 -0.474 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@@H](CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001400186865 901892332 /nfs/dbraw/zinc/89/23/32/901892332.db2.gz JTLKOPHVKAEYFD-LLVKDONJSA-N 2 2 293.371 -0.474 20 0 CBADLP CCN(C)C(=O)C[NH+]1CC(CNC(=O)C[NH+]2CCCC2)C1 ZINC001400562886 901966795 /nfs/dbraw/zinc/96/67/95/901966795.db2.gz UKMQTLBHZGZOLK-UHFFFAOYSA-N 2 2 296.415 -0.392 20 0 CBADLP CCNC(=O)C[NH+]1CC(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001400546623 901967167 /nfs/dbraw/zinc/96/71/67/901967167.db2.gz JKDSRLIMVNJLOD-GFCCVEGCSA-N 2 2 296.415 -0.488 20 0 CBADLP CCNC(=O)C[NH+]1CC(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001400546623 901967183 /nfs/dbraw/zinc/96/71/83/901967183.db2.gz JKDSRLIMVNJLOD-GFCCVEGCSA-N 2 2 296.415 -0.488 20 0 CBADLP COC[C@H](O)C[NH+]1CC(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001400548600 901967454 /nfs/dbraw/zinc/96/74/54/901967454.db2.gz YUIWRGPGKTYICH-LLVKDONJSA-N 2 2 282.344 -0.993 20 0 CBADLP CC[C@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)[NH2+]CC(N)=O ZINC001400819150 902025018 /nfs/dbraw/zinc/02/50/18/902025018.db2.gz KVOLNQCYOHKUBO-WDEREUQCSA-N 2 2 293.371 -0.585 20 0 CBADLP CC[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CC(=O)N1CCC1 ZINC001400913154 902037717 /nfs/dbraw/zinc/03/77/17/902037717.db2.gz FZXGTYZOCUXUQU-GFCCVEGCSA-N 2 2 293.371 -0.400 20 0 CBADLP COCC[N@@H+]1CCO[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001401160026 902068692 /nfs/dbraw/zinc/06/86/92/902068692.db2.gz IREPSHLHYDFMEN-CYBMUJFWSA-N 2 2 299.415 -0.066 20 0 CBADLP COCC[N@H+]1CCO[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001401160026 902068696 /nfs/dbraw/zinc/06/86/96/902068696.db2.gz IREPSHLHYDFMEN-CYBMUJFWSA-N 2 2 299.415 -0.066 20 0 CBADLP CC[C@@H]([NH2+]C[C@@H](C)N(C)C(=O)Cc1[nH]cc[nH+]1)C(N)=O ZINC001401261212 902095637 /nfs/dbraw/zinc/09/56/37/902095637.db2.gz YWLNBWXXWKMSFA-NXEZZACHSA-N 2 2 281.360 -0.347 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC[C@@H](O)C[NH2+]CC1CCC1 ZINC001401575655 902171902 /nfs/dbraw/zinc/17/19/02/902171902.db2.gz FROCWDWPBZDTGU-ZDUSSCGKSA-N 2 2 280.372 -0.171 20 0 CBADLP CCCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001401644147 902204096 /nfs/dbraw/zinc/20/40/96/902204096.db2.gz JPFIFVYZGMETCQ-GHMZBOCLSA-N 2 2 295.387 -0.039 20 0 CBADLP CCCNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001401644148 902205834 /nfs/dbraw/zinc/20/58/34/902205834.db2.gz JPFIFVYZGMETCQ-MNOVXSKESA-N 2 2 295.387 -0.039 20 0 CBADLP Cc1nnc(C[NH2+]C[C@H](C)NC(=O)C[NH+]2CCCC2)[nH]1 ZINC001401718575 902244854 /nfs/dbraw/zinc/24/48/54/902244854.db2.gz ANJWRYZRDVPMON-JTQLQIEISA-N 2 2 280.376 -0.197 20 0 CBADLP C[C@@H]([NH2+]C[C@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1)C(N)=O ZINC001402058110 902347610 /nfs/dbraw/zinc/34/76/10/902347610.db2.gz OCZMOMHKYLFHPU-NXEZZACHSA-N 2 2 279.344 -0.593 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001402129870 902363575 /nfs/dbraw/zinc/36/35/75/902363575.db2.gz DEANXTJWDIULGP-AWEZNQCLSA-N 2 2 293.371 -0.482 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@](C)(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001402129870 902363585 /nfs/dbraw/zinc/36/35/85/902363585.db2.gz DEANXTJWDIULGP-AWEZNQCLSA-N 2 2 293.371 -0.482 20 0 CBADLP CO[C@@H](C)C[NH+]1CC(O)(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001402374588 902439159 /nfs/dbraw/zinc/43/91/59/902439159.db2.gz SSFVVCUZBYMASG-STQMWFEESA-N 2 2 299.415 -0.474 20 0 CBADLP CO[C@@H](C)C[NH+]1CC(O)(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001402374588 902439166 /nfs/dbraw/zinc/43/91/66/902439166.db2.gz SSFVVCUZBYMASG-STQMWFEESA-N 2 2 299.415 -0.474 20 0 CBADLP C[C@@H]([NH2+]CC(N)=O)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001402418402 902445761 /nfs/dbraw/zinc/44/57/61/902445761.db2.gz VLVUUKAANSHANC-MNOVXSKESA-N 2 2 279.344 -0.805 20 0 CBADLP C[C@H]([NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1)C(=O)N(C)C ZINC001402469001 902458855 /nfs/dbraw/zinc/45/88/55/902458855.db2.gz UMPZUWYMQLAAKT-RYUDHWBXSA-N 2 2 293.371 -0.450 20 0 CBADLP C[C@@H]([NH2+]C[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1)C(N)=O ZINC001402699660 902506681 /nfs/dbraw/zinc/50/66/81/902506681.db2.gz WTGGFEAWMNMLAC-GHMZBOCLSA-N 2 2 293.371 -0.346 20 0 CBADLP C[C@@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+][C@@H](C)C(=O)N(C)C ZINC001402860104 902541800 /nfs/dbraw/zinc/54/18/00/902541800.db2.gz PZPGVAYLTIWTSQ-RYUDHWBXSA-N 2 2 295.387 -0.156 20 0 CBADLP Cc1ncoc1C[NH2+][C@@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001402865691 902543979 /nfs/dbraw/zinc/54/39/79/902543979.db2.gz LHEPCRQLSXFFCY-GWCFXTLKSA-N 2 2 296.371 -0.092 20 0 CBADLP Cc1ncoc1C[NH2+][C@@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001402865691 902543989 /nfs/dbraw/zinc/54/39/89/902543989.db2.gz LHEPCRQLSXFFCY-GWCFXTLKSA-N 2 2 296.371 -0.092 20 0 CBADLP Cc1nocc1C[NH2+][C@@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001402867397 902546603 /nfs/dbraw/zinc/54/66/03/902546603.db2.gz NMTGIVBAXDMTCA-GWCFXTLKSA-N 2 2 296.371 -0.092 20 0 CBADLP Cc1nocc1C[NH2+][C@@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001402867397 902546620 /nfs/dbraw/zinc/54/66/20/902546620.db2.gz NMTGIVBAXDMTCA-GWCFXTLKSA-N 2 2 296.371 -0.092 20 0 CBADLP Cc1nocc1C[NH2+][C@@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001402867403 902547312 /nfs/dbraw/zinc/54/73/12/902547312.db2.gz NMTGIVBAXDMTCA-GXFFZTMASA-N 2 2 296.371 -0.092 20 0 CBADLP Cc1nocc1C[NH2+][C@@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001402867403 902547315 /nfs/dbraw/zinc/54/73/15/902547315.db2.gz NMTGIVBAXDMTCA-GXFFZTMASA-N 2 2 296.371 -0.092 20 0 CBADLP C[N@H+](CCO)C[C@@H]1CCCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001402898472 902557036 /nfs/dbraw/zinc/55/70/36/902557036.db2.gz BKWRFKPJJGHPJK-STQMWFEESA-N 2 2 285.388 -0.768 20 0 CBADLP C[N@@H+](CCO)C[C@@H]1CCCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001402898472 902557044 /nfs/dbraw/zinc/55/70/44/902557044.db2.gz BKWRFKPJJGHPJK-STQMWFEESA-N 2 2 285.388 -0.768 20 0 CBADLP C[NH+](CCO)C[C@@H]1CCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001402898472 902557049 /nfs/dbraw/zinc/55/70/49/902557049.db2.gz BKWRFKPJJGHPJK-STQMWFEESA-N 2 2 285.388 -0.768 20 0 CBADLP C[NH+](CCO)C[C@@H]1CCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001402898472 902557060 /nfs/dbraw/zinc/55/70/60/902557060.db2.gz BKWRFKPJJGHPJK-STQMWFEESA-N 2 2 285.388 -0.768 20 0 CBADLP Cc1cn(C(C)(C)C(=O)NC[C@@H](C)[NH2+][C@H](C)C(N)=O)c[nH+]1 ZINC001402927996 902563638 /nfs/dbraw/zinc/56/36/38/902563638.db2.gz XGRPDUNZVNTVQR-MWLCHTKSSA-N 2 2 295.387 -0.105 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]CC1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC001402942643 902569079 /nfs/dbraw/zinc/56/90/79/902569079.db2.gz CHQFSQZBEQSLMY-VOMCLLRMSA-N 2 2 293.371 -0.498 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)[N@H+](C)CCO ZINC001403143672 902627039 /nfs/dbraw/zinc/62/70/39/902627039.db2.gz HTTSNLBXTMPMIQ-RYUDHWBXSA-N 2 2 280.372 -0.126 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)[N@@H+](C)CCO ZINC001403143672 902627050 /nfs/dbraw/zinc/62/70/50/902627050.db2.gz HTTSNLBXTMPMIQ-RYUDHWBXSA-N 2 2 280.372 -0.126 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)[N@H+](C)CCO ZINC001403143661 902628180 /nfs/dbraw/zinc/62/81/80/902628180.db2.gz HTTSNLBXTMPMIQ-NWDGAFQWSA-N 2 2 280.372 -0.126 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)[N@@H+](C)CCO ZINC001403143661 902628187 /nfs/dbraw/zinc/62/81/87/902628187.db2.gz HTTSNLBXTMPMIQ-NWDGAFQWSA-N 2 2 280.372 -0.126 20 0 CBADLP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH+](C)CC(N)=O ZINC001403150894 902632770 /nfs/dbraw/zinc/63/27/70/902632770.db2.gz ZKOHJHXINCXCAL-GHMZBOCLSA-N 2 2 270.377 -0.608 20 0 CBADLP C[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)[NH+](C)CC(N)=O ZINC001403150894 902632777 /nfs/dbraw/zinc/63/27/77/902632777.db2.gz ZKOHJHXINCXCAL-GHMZBOCLSA-N 2 2 270.377 -0.608 20 0 CBADLP C[C@H](CNC(=O)[C@H]1CCCC[NH+]1C)[N@H+](C)CC(N)=O ZINC001403150894 902632783 /nfs/dbraw/zinc/63/27/83/902632783.db2.gz ZKOHJHXINCXCAL-GHMZBOCLSA-N 2 2 270.377 -0.608 20 0 CBADLP C[C@H](CNC(=O)[C@H]1CCCC[NH+]1C)[N@@H+](C)CC(N)=O ZINC001403150894 902632786 /nfs/dbraw/zinc/63/27/86/902632786.db2.gz ZKOHJHXINCXCAL-GHMZBOCLSA-N 2 2 270.377 -0.608 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)NC1(CCO)C[NH+](CCCF)C1 ZINC001403205764 902647332 /nfs/dbraw/zinc/64/73/32/902647332.db2.gz ZSXYMEYEOGKQMW-LBPRGKRZSA-N 2 2 287.379 -0.007 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)NC1(CCO)C[NH+](CCCF)C1 ZINC001403205764 902647335 /nfs/dbraw/zinc/64/73/35/902647335.db2.gz ZSXYMEYEOGKQMW-LBPRGKRZSA-N 2 2 287.379 -0.007 20 0 CBADLP C[C@@H]([NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1)C(N)=O ZINC001403279804 902662919 /nfs/dbraw/zinc/66/29/19/902662919.db2.gz ZDPSTHBIEGTRQH-MNOVXSKESA-N 2 2 279.344 -0.805 20 0 CBADLP CNC(=O)C[NH+]1CC([C@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001403332752 902671814 /nfs/dbraw/zinc/67/18/14/902671814.db2.gz UAPHLVDTXNJFFC-RYUDHWBXSA-N 2 2 296.415 -0.489 20 0 CBADLP CNC(=O)C[NH+]1CC([C@H](C)NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001403332752 902671822 /nfs/dbraw/zinc/67/18/22/902671822.db2.gz UAPHLVDTXNJFFC-RYUDHWBXSA-N 2 2 296.415 -0.489 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N[C@H](C)C1C[NH+]([C@H](C)C(N)=O)C1 ZINC001403348238 902674297 /nfs/dbraw/zinc/67/42/97/902674297.db2.gz IPPCUZJHGHDZIN-GHMZBOCLSA-N 2 2 284.404 -0.363 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C1C[NH+]([C@H](C)C(N)=O)C1 ZINC001403348238 902674309 /nfs/dbraw/zinc/67/43/09/902674309.db2.gz IPPCUZJHGHDZIN-GHMZBOCLSA-N 2 2 284.404 -0.363 20 0 CBADLP C[C@H]([NH2+]CCO)[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001403413955 902684448 /nfs/dbraw/zinc/68/44/48/902684448.db2.gz JQHJIIQKUGRCFL-CMPLNLGQSA-N 2 2 282.344 -0.850 20 0 CBADLP CCN(C)C(=O)C[NH2+][C@@H](C)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001403437431 902689837 /nfs/dbraw/zinc/68/98/37/902689837.db2.gz KWHLZLRCPHITTE-NSHDSACASA-N 2 2 295.387 -0.085 20 0 CBADLP O=C(NC[C@H](CO)[NH2+]CCF)[C@@H]1CCn2c[nH+]cc2C1 ZINC001403657802 902779383 /nfs/dbraw/zinc/77/93/83/902779383.db2.gz CHKWUXWBWSVFIU-GHMZBOCLSA-N 2 2 284.335 -0.518 20 0 CBADLP CC[NH2+][C@@H](CO)CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001403666478 902788637 /nfs/dbraw/zinc/78/86/37/902788637.db2.gz IFZMPLRIVOIHIS-MFKMUULPSA-N 2 2 295.387 -0.123 20 0 CBADLP CC[NH2+][C@@H](CO)CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001403666478 902788650 /nfs/dbraw/zinc/78/86/50/902788650.db2.gz IFZMPLRIVOIHIS-MFKMUULPSA-N 2 2 295.387 -0.123 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)NC[C@@H](CO)[NH2+]CC1CC1 ZINC001403683558 902800529 /nfs/dbraw/zinc/80/05/29/902800529.db2.gz KUJXQIFBMNVRCC-LBPRGKRZSA-N 2 2 280.372 -0.171 20 0 CBADLP CNC(=O)C[N@H+](C)CCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001403696184 902807767 /nfs/dbraw/zinc/80/77/67/902807767.db2.gz IOBMJRQHSCOOFF-QWHCGFSZSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001403696184 902807777 /nfs/dbraw/zinc/80/77/77/902807777.db2.gz IOBMJRQHSCOOFF-QWHCGFSZSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[NH+](C)CCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001403696184 902807789 /nfs/dbraw/zinc/80/77/89/902807789.db2.gz IOBMJRQHSCOOFF-QWHCGFSZSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[NH+](C)CCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001403696184 902807797 /nfs/dbraw/zinc/80/77/97/902807797.db2.gz IOBMJRQHSCOOFF-QWHCGFSZSA-N 2 2 296.415 -0.203 20 0 CBADLP Cc1cc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CC[N@@H+](C)C2)no1 ZINC001403749358 902835600 /nfs/dbraw/zinc/83/56/00/902835600.db2.gz QJHLIGKNSONSAG-YPMHNXCESA-N 2 2 296.371 -0.499 20 0 CBADLP Cc1cc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CC[N@H+](C)C2)no1 ZINC001403749358 902835617 /nfs/dbraw/zinc/83/56/17/902835617.db2.gz QJHLIGKNSONSAG-YPMHNXCESA-N 2 2 296.371 -0.499 20 0 CBADLP Cc1cc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CC[N@@H+](C)C2)no1 ZINC001403749351 902835661 /nfs/dbraw/zinc/83/56/61/902835661.db2.gz QJHLIGKNSONSAG-DGCLKSJQSA-N 2 2 296.371 -0.499 20 0 CBADLP Cc1cc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CC[N@H+](C)C2)no1 ZINC001403749351 902835673 /nfs/dbraw/zinc/83/56/73/902835673.db2.gz QJHLIGKNSONSAG-DGCLKSJQSA-N 2 2 296.371 -0.499 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@@H](CO)[NH2+]CCC(F)(F)F ZINC001403754008 902835892 /nfs/dbraw/zinc/83/58/92/902835892.db2.gz UCUJFGPYJJGXEL-VIFPVBQESA-N 2 2 294.277 -0.098 20 0 CBADLP CNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)Cc2c[nH+]cn2C)C1 ZINC001403764023 902842405 /nfs/dbraw/zinc/84/24/05/902842405.db2.gz WTNLXBLVMHDJAO-QWRGUYRKSA-N 2 2 293.371 -0.712 20 0 CBADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH+](C)[C@@H]1CCNC1=O ZINC001403782774 902846218 /nfs/dbraw/zinc/84/62/18/902846218.db2.gz CLUJQYLACGZVCM-CHWSQXEVSA-N 2 2 296.415 -0.203 20 0 CBADLP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH+](C)[C@@H]1CCNC1=O ZINC001403782774 902846230 /nfs/dbraw/zinc/84/62/30/902846230.db2.gz CLUJQYLACGZVCM-CHWSQXEVSA-N 2 2 296.415 -0.203 20 0 CBADLP CC[NH+]1CCCC[C@@H]1C(=O)NCC[N@H+](C)[C@@H]1CCNC1=O ZINC001403782774 902846237 /nfs/dbraw/zinc/84/62/37/902846237.db2.gz CLUJQYLACGZVCM-CHWSQXEVSA-N 2 2 296.415 -0.203 20 0 CBADLP CC[NH+]1CCCC[C@@H]1C(=O)NCC[N@@H+](C)[C@@H]1CCNC1=O ZINC001403782774 902846248 /nfs/dbraw/zinc/84/62/48/902846248.db2.gz CLUJQYLACGZVCM-CHWSQXEVSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001403782669 902848221 /nfs/dbraw/zinc/84/82/21/902848221.db2.gz AKNWAOFRUXHQFU-GHMZBOCLSA-N 2 2 293.371 -0.427 20 0 CBADLP C[C@H]1[C@H](NC(=O)C2([NH+](C)C)CCC2)CCC[N@@H+]1CC(N)=O ZINC001403819744 902862789 /nfs/dbraw/zinc/86/27/89/902862789.db2.gz MYNIQJVODGXPIY-NWDGAFQWSA-N 2 2 296.415 -0.075 20 0 CBADLP C[C@H]1[C@H](NC(=O)C2([NH+](C)C)CCC2)CCC[N@H+]1CC(N)=O ZINC001403819744 902862799 /nfs/dbraw/zinc/86/27/99/902862799.db2.gz MYNIQJVODGXPIY-NWDGAFQWSA-N 2 2 296.415 -0.075 20 0 CBADLP CC(C)N(CC[NH+](C)CC(N)=O)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001403934955 902910142 /nfs/dbraw/zinc/91/01/42/902910142.db2.gz MEHALPQNQAIKIN-CYBMUJFWSA-N 2 2 298.431 -0.018 20 0 CBADLP CC(C)N(CC[NH+](C)CC(N)=O)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001403934955 902910146 /nfs/dbraw/zinc/91/01/46/902910146.db2.gz MEHALPQNQAIKIN-CYBMUJFWSA-N 2 2 298.431 -0.018 20 0 CBADLP CC(C)N(CC[N@H+](C)CC(N)=O)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001403934955 902910136 /nfs/dbraw/zinc/91/01/36/902910136.db2.gz MEHALPQNQAIKIN-CYBMUJFWSA-N 2 2 298.431 -0.018 20 0 CBADLP CC(C)N(CC[N@@H+](C)CC(N)=O)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001403934955 902910139 /nfs/dbraw/zinc/91/01/39/902910139.db2.gz MEHALPQNQAIKIN-CYBMUJFWSA-N 2 2 298.431 -0.018 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)C(C)(C)C ZINC001403967308 902917417 /nfs/dbraw/zinc/91/74/17/902917417.db2.gz YXQUJAAVIULVAD-LLVKDONJSA-N 2 2 295.387 -0.181 20 0 CBADLP COC[C@H](O)C[NH2+]C1CC(N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001404012301 902926380 /nfs/dbraw/zinc/92/63/80/902926380.db2.gz CGQUTHLLWGHMOJ-KGPNIALWSA-N 2 2 296.371 -0.462 20 0 CBADLP C[N@H+](CC(=O)NCC[NH+](CC(N)=O)C1CC1)C1CCC1 ZINC001404239781 902957228 /nfs/dbraw/zinc/95/72/28/902957228.db2.gz FNAXDEOKZJSBJY-UHFFFAOYSA-N 2 2 282.388 -0.463 20 0 CBADLP C[N@@H+](CC(=O)NCC[NH+](CC(N)=O)C1CC1)C1CCC1 ZINC001404239781 902957238 /nfs/dbraw/zinc/95/72/38/902957238.db2.gz FNAXDEOKZJSBJY-UHFFFAOYSA-N 2 2 282.388 -0.463 20 0 CBADLP C[NH+](CC(=O)NCC[N@H+](CC(N)=O)C1CC1)C1CCC1 ZINC001404239781 902957248 /nfs/dbraw/zinc/95/72/48/902957248.db2.gz FNAXDEOKZJSBJY-UHFFFAOYSA-N 2 2 282.388 -0.463 20 0 CBADLP C[NH+](CC(=O)NCC[N@@H+](CC(N)=O)C1CC1)C1CCC1 ZINC001404239781 902957259 /nfs/dbraw/zinc/95/72/59/902957259.db2.gz FNAXDEOKZJSBJY-UHFFFAOYSA-N 2 2 282.388 -0.463 20 0 CBADLP CC(C)[NH+](C)CC(=O)N[C@H]1CCC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001404707931 903016425 /nfs/dbraw/zinc/01/64/25/903016425.db2.gz HNHSABRPJHWUDM-RYUDHWBXSA-N 2 2 284.404 -0.219 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[NH+]([C@@H](C)C(N)=O)C1 ZINC001404707931 903016383 /nfs/dbraw/zinc/01/63/83/903016383.db2.gz HNHSABRPJHWUDM-RYUDHWBXSA-N 2 2 284.404 -0.219 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N[C@H]1CCC[NH+]([C@@H](C)C(N)=O)C1 ZINC001404707931 903016395 /nfs/dbraw/zinc/01/63/95/903016395.db2.gz HNHSABRPJHWUDM-RYUDHWBXSA-N 2 2 284.404 -0.219 20 0 CBADLP COC[C@@H](O)C[NH+]1CC(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001404762196 903024984 /nfs/dbraw/zinc/02/49/84/903024984.db2.gz BQCJLHPPNAWTAO-UONOGXRCSA-N 2 2 297.399 -0.864 20 0 CBADLP COC[C@@H](O)C[NH+]1CC(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001404803997 903031429 /nfs/dbraw/zinc/03/14/29/903031429.db2.gz GAVKEHNBDWIHJC-LBPRGKRZSA-N 2 2 285.388 -0.864 20 0 CBADLP CCNC(=O)C[NH+]1CC(CNC(=O)CCC[NH+](C)C)C1 ZINC001404903331 903051466 /nfs/dbraw/zinc/05/14/66/903051466.db2.gz KKASLZBXRNREFF-UHFFFAOYSA-N 2 2 284.404 -0.488 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+](C)C ZINC001404970345 903062439 /nfs/dbraw/zinc/06/24/39/903062439.db2.gz PQAWCCWSEFKENJ-AGIUHOORSA-N 2 2 296.415 -0.252 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+](C)C ZINC001404970345 903062447 /nfs/dbraw/zinc/06/24/47/903062447.db2.gz PQAWCCWSEFKENJ-AGIUHOORSA-N 2 2 296.415 -0.252 20 0 CBADLP CC(C)OCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001405047127 903079223 /nfs/dbraw/zinc/07/92/23/903079223.db2.gz PLNIZGJZXPDCRK-ZIAGYGMSSA-N 2 2 299.415 -0.068 20 0 CBADLP CC(C)OCC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001405047127 903079236 /nfs/dbraw/zinc/07/92/36/903079236.db2.gz PLNIZGJZXPDCRK-ZIAGYGMSSA-N 2 2 299.415 -0.068 20 0 CBADLP CC(C)OCC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001405047127 903079249 /nfs/dbraw/zinc/07/92/49/903079249.db2.gz PLNIZGJZXPDCRK-ZIAGYGMSSA-N 2 2 299.415 -0.068 20 0 CBADLP CC(C)OCC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001405047127 903079261 /nfs/dbraw/zinc/07/92/61/903079261.db2.gz PLNIZGJZXPDCRK-ZIAGYGMSSA-N 2 2 299.415 -0.068 20 0 CBADLP CC[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]CC(N)=O ZINC001405244925 903127031 /nfs/dbraw/zinc/12/70/31/903127031.db2.gz AYXYSKGNHMXWEQ-IVZWLZJFSA-N 2 2 279.344 -0.517 20 0 CBADLP CC[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CCn1cncn1 ZINC001405362126 903153466 /nfs/dbraw/zinc/15/34/66/903153466.db2.gz HULNHQWVRAYFQX-GFCCVEGCSA-N 2 2 291.359 -0.341 20 0 CBADLP CC[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1ncnn1C ZINC001405358743 903155101 /nfs/dbraw/zinc/15/51/01/903155101.db2.gz DNULDKDRNPZWLL-LLVKDONJSA-N 2 2 291.359 -0.304 20 0 CBADLP CC[C@@H]([NH2+]C[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1)C(N)=O ZINC001405696356 903203452 /nfs/dbraw/zinc/20/34/52/903203452.db2.gz PXCHNQZPUMNJOY-GXSJLCMTSA-N 2 2 281.360 -0.442 20 0 CBADLP CC1CC[NH+](CC(=O)NC[C@H]2C[N@H+](CCO)CCO2)CC1 ZINC001405731266 903209256 /nfs/dbraw/zinc/20/92/56/903209256.db2.gz RFSIQAWCIYXCLG-AWEZNQCLSA-N 2 2 299.415 -0.472 20 0 CBADLP CC1CC[NH+](CC(=O)NC[C@H]2C[N@@H+](CCO)CCO2)CC1 ZINC001405731266 903209270 /nfs/dbraw/zinc/20/92/70/903209270.db2.gz RFSIQAWCIYXCLG-AWEZNQCLSA-N 2 2 299.415 -0.472 20 0 CBADLP CC[C@@H](C(=O)NC[C@H]1C[N@H+](CCCO)CCO1)[NH+](C)C ZINC001405745877 903214497 /nfs/dbraw/zinc/21/44/97/903214497.db2.gz YGQSQPDSSNKCGV-STQMWFEESA-N 2 2 287.404 -0.474 20 0 CBADLP CC[C@@H](C(=O)NC[C@H]1C[N@@H+](CCCO)CCO1)[NH+](C)C ZINC001405745877 903214508 /nfs/dbraw/zinc/21/45/08/903214508.db2.gz YGQSQPDSSNKCGV-STQMWFEESA-N 2 2 287.404 -0.474 20 0 CBADLP C[C@H](C[NH2+][C@H]1CCN(C)C1=O)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001405863620 903238764 /nfs/dbraw/zinc/23/87/64/903238764.db2.gz BSJJDAFOFVHARR-MNOVXSKESA-N 2 2 293.371 -0.381 20 0 CBADLP C[C@@H](C[NH2+]CC(N)=O)N(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001405876305 903240319 /nfs/dbraw/zinc/24/03/19/903240319.db2.gz PZDMCBXEQKPFAB-QWRGUYRKSA-N 2 2 281.360 -0.244 20 0 CBADLP CC[C@H]([NH2+]C[C@H](C)N(C)C(=O)Cc1c[nH+]cn1C)C(N)=O ZINC001405875454 903240184 /nfs/dbraw/zinc/24/01/84/903240184.db2.gz UPALCVUVWUQQIA-JQWIXIFHSA-N 2 2 295.387 -0.337 20 0 CBADLP Cc1noc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001406224760 903310891 /nfs/dbraw/zinc/31/08/91/903310891.db2.gz SNCSDDVCRHUPQT-MNOVXSKESA-N 2 2 297.359 -0.961 20 0 CBADLP Cc1noc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC001406224760 903310901 /nfs/dbraw/zinc/31/09/01/903310901.db2.gz SNCSDDVCRHUPQT-MNOVXSKESA-N 2 2 297.359 -0.961 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]CC[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001406304452 903349851 /nfs/dbraw/zinc/34/98/51/903349851.db2.gz CMTCAXPVLBTVMT-NEPJUHHUSA-N 2 2 295.387 -0.108 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@H](O)C[NH2+]Cc1cscn1 ZINC001406314980 903352251 /nfs/dbraw/zinc/35/22/51/903352251.db2.gz JSZPMAJDFUFBJU-LLVKDONJSA-N 2 2 295.368 -0.394 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@@H](O)C[NH2+]Cc1cscn1 ZINC001406315001 903352666 /nfs/dbraw/zinc/35/26/66/903352666.db2.gz JSZPMAJDFUFBJU-NSHDSACASA-N 2 2 295.368 -0.394 20 0 CBADLP Cc1oncc1C[NH2+]C[C@@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001406339030 903363571 /nfs/dbraw/zinc/36/35/71/903363571.db2.gz STUPUWNJUZAIAS-ZWNOBZJWSA-N 2 2 296.371 -0.092 20 0 CBADLP Cc1oncc1C[NH2+]C[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001406339030 903363590 /nfs/dbraw/zinc/36/35/90/903363590.db2.gz STUPUWNJUZAIAS-ZWNOBZJWSA-N 2 2 296.371 -0.092 20 0 CBADLP C[C@H](C[NH2+][C@H]1CCN(C)C1=O)NC(=O)CCc1c[nH]c[nH+]1 ZINC001406362942 903376517 /nfs/dbraw/zinc/37/65/17/903376517.db2.gz IZARSFRLWRWDRL-PWSUYJOCSA-N 2 2 293.371 -0.333 20 0 CBADLP C[C@H](C[NH2+][C@H]1CCN(C)C1=O)NC(=O)CCc1c[nH+]c[nH]1 ZINC001406362942 903376525 /nfs/dbraw/zinc/37/65/25/903376525.db2.gz IZARSFRLWRWDRL-PWSUYJOCSA-N 2 2 293.371 -0.333 20 0 CBADLP C[C@H](C[NH2+]Cc1cncn1C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001406409017 903397130 /nfs/dbraw/zinc/39/71/30/903397130.db2.gz KYSMXILLKOUHOX-SNVBAGLBSA-N 2 2 276.344 -0.020 20 0 CBADLP CC(C)N(C)C(=O)C[NH2+]C[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001406431390 903399273 /nfs/dbraw/zinc/39/92/73/903399273.db2.gz OWQDESNSMOYRTC-GFCCVEGCSA-N 2 2 295.387 -0.156 20 0 CBADLP CNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001406485777 903413587 /nfs/dbraw/zinc/41/35/87/903413587.db2.gz ADPXQRDIQRSGSN-IVZWLZJFSA-N 2 2 279.344 -0.647 20 0 CBADLP CNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001406485424 903413751 /nfs/dbraw/zinc/41/37/51/903413751.db2.gz CPYNLGGBPPQVRI-WDEREUQCSA-N 2 2 293.371 -0.714 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[NH2+]Cc1nncn1C ZINC001406500002 903417620 /nfs/dbraw/zinc/41/76/20/903417620.db2.gz QDIIQQUYIRSTBR-JTQLQIEISA-N 2 2 291.359 -0.385 20 0 CBADLP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H](C)C[N@H+](C)CC(N)=O ZINC001406613115 903446864 /nfs/dbraw/zinc/44/68/64/903446864.db2.gz PQHNLAUSPJIABM-VXGBXAGGSA-N 2 2 284.404 -0.219 20 0 CBADLP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H](C)C[N@@H+](C)CC(N)=O ZINC001406613115 903446871 /nfs/dbraw/zinc/44/68/71/903446871.db2.gz PQHNLAUSPJIABM-VXGBXAGGSA-N 2 2 284.404 -0.219 20 0 CBADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH+](C)CC(N)=O ZINC001406613115 903446883 /nfs/dbraw/zinc/44/68/83/903446883.db2.gz PQHNLAUSPJIABM-VXGBXAGGSA-N 2 2 284.404 -0.219 20 0 CBADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH+](C)CC(N)=O ZINC001406613115 903446894 /nfs/dbraw/zinc/44/68/94/903446894.db2.gz PQHNLAUSPJIABM-VXGBXAGGSA-N 2 2 284.404 -0.219 20 0 CBADLP C[C@H](C[N@H+](C)CCn1cncn1)NC(=O)Cn1cc[nH+]c1 ZINC001406689459 903461109 /nfs/dbraw/zinc/46/11/09/903461109.db2.gz FWSZWJJZQWJUKQ-GFCCVEGCSA-N 2 2 291.359 -0.389 20 0 CBADLP C[C@H](C[N@@H+](C)CCn1cncn1)NC(=O)Cn1cc[nH+]c1 ZINC001406689459 903461113 /nfs/dbraw/zinc/46/11/13/903461113.db2.gz FWSZWJJZQWJUKQ-GFCCVEGCSA-N 2 2 291.359 -0.389 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NC[C@H]1CC[NH+]1[C@@H]1CCCNC1=O ZINC001406898755 903507187 /nfs/dbraw/zinc/50/71/87/903507187.db2.gz LHOXSZUBZZYVBU-CHWSQXEVSA-N 2 2 296.415 -0.204 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NC[C@H]1CC[NH+]1[C@@H]1CCCNC1=O ZINC001406898755 903507204 /nfs/dbraw/zinc/50/72/04/903507204.db2.gz LHOXSZUBZZYVBU-CHWSQXEVSA-N 2 2 296.415 -0.204 20 0 CBADLP CC(C)[NH+](C)CC(=O)NC[C@H]1CC[N@@H+]1[C@@H]1CCCNC1=O ZINC001406898755 903507222 /nfs/dbraw/zinc/50/72/22/903507222.db2.gz LHOXSZUBZZYVBU-CHWSQXEVSA-N 2 2 296.415 -0.204 20 0 CBADLP CC(C)[NH+](C)CC(=O)NC[C@H]1CC[N@H+]1[C@@H]1CCCNC1=O ZINC001406898755 903507241 /nfs/dbraw/zinc/50/72/41/903507241.db2.gz LHOXSZUBZZYVBU-CHWSQXEVSA-N 2 2 296.415 -0.204 20 0 CBADLP C[C@H]([NH2+]C1(CNC(=O)CCc2[nH+]ccn2C)CC1)C(N)=O ZINC001406950416 903518601 /nfs/dbraw/zinc/51/86/01/903518601.db2.gz LCAAHJZWFMZVNE-JTQLQIEISA-N 2 2 293.371 -0.535 20 0 CBADLP C[C@@H](O)C[NH+]1CC(O)(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001407421953 903602788 /nfs/dbraw/zinc/60/27/88/903602788.db2.gz ZDBCTCMXPCNSQV-VXGBXAGGSA-N 2 2 285.388 -0.986 20 0 CBADLP C[C@@H](O)C[NH+]1CC(O)(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001407421953 903602793 /nfs/dbraw/zinc/60/27/93/903602793.db2.gz ZDBCTCMXPCNSQV-VXGBXAGGSA-N 2 2 285.388 -0.986 20 0 CBADLP CC(C)[C@H](C(=O)NCC1(O)C[NH+](C[C@@H](C)O)C1)[NH+](C)C ZINC001407429758 903607015 /nfs/dbraw/zinc/60/70/15/903607015.db2.gz TXWVOAGNOFAQHU-VXGBXAGGSA-N 2 2 287.404 -0.884 20 0 CBADLP C[C@H](O)CCC[NH+]1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001407466253 903613365 /nfs/dbraw/zinc/61/33/65/903613365.db2.gz GWXNQIYIPXJEHP-QWHCGFSZSA-N 2 2 299.415 -0.738 20 0 CBADLP C[C@H](O)CCC[NH+]1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001407466253 903613370 /nfs/dbraw/zinc/61/33/70/903613370.db2.gz GWXNQIYIPXJEHP-QWHCGFSZSA-N 2 2 299.415 -0.738 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC2(O)C[NH+](C(C)C)C2)C1 ZINC001407483678 903620154 /nfs/dbraw/zinc/62/01/54/903620154.db2.gz YPTQGHPAOVANHF-GFCCVEGCSA-N 2 2 285.388 -0.722 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)NCC2(O)C[NH+](C(C)C)C2)C1 ZINC001407483678 903620161 /nfs/dbraw/zinc/62/01/61/903620161.db2.gz YPTQGHPAOVANHF-GFCCVEGCSA-N 2 2 285.388 -0.722 20 0 CBADLP C[C@H]1CC[C@@H](C[NH+]2CC(O)(CNC(=O)CC[NH+](C)C)C2)O1 ZINC001407507974 903621190 /nfs/dbraw/zinc/62/11/90/903621190.db2.gz RRQLYGYMINFSCX-STQMWFEESA-N 2 2 299.415 -0.332 20 0 CBADLP C[C@@H]1CC[C@H](C[NH+]2CC(O)(CNC(=O)CC[NH+](C)C)C2)O1 ZINC001407507958 903622972 /nfs/dbraw/zinc/62/29/72/903622972.db2.gz RRQLYGYMINFSCX-CHWSQXEVSA-N 2 2 299.415 -0.332 20 0 CBADLP C[C@H]([NH2+]CC(N)=O)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001407535113 903623932 /nfs/dbraw/zinc/62/39/32/903623932.db2.gz JSURKWIBKBAJOK-VHSXEESVSA-N 2 2 279.344 -0.736 20 0 CBADLP CNC(=O)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001407537727 903625106 /nfs/dbraw/zinc/62/51/06/903625106.db2.gz HVLZGZAEPKXFRD-NWDGAFQWSA-N 2 2 293.371 -0.544 20 0 CBADLP C[C@@H]([NH2+]CC(N)=O)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001407535118 903625217 /nfs/dbraw/zinc/62/52/17/903625217.db2.gz JSURKWIBKBAJOK-ZJUUUORDSA-N 2 2 279.344 -0.736 20 0 CBADLP CN(CCC[N@H+](C)CC(N)=O)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001407950741 903681312 /nfs/dbraw/zinc/68/13/12/903681312.db2.gz SQNRYWDMDBFGHM-UHFFFAOYSA-N 2 2 295.387 -0.047 20 0 CBADLP CN(CCC[N@@H+](C)CC(N)=O)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001407950741 903681325 /nfs/dbraw/zinc/68/13/25/903681325.db2.gz SQNRYWDMDBFGHM-UHFFFAOYSA-N 2 2 295.387 -0.047 20 0 CBADLP CC[N@H+](C)CCC(=O)NC[C@H]1CCC2(C[NH+](CCO)C2)O1 ZINC001407984187 903687440 /nfs/dbraw/zinc/68/74/40/903687440.db2.gz UFLVRRIEKGPCLY-CYBMUJFWSA-N 2 2 299.415 -0.330 20 0 CBADLP CC[N@@H+](C)CCC(=O)NC[C@H]1CCC2(C[NH+](CCO)C2)O1 ZINC001407984187 903687449 /nfs/dbraw/zinc/68/74/49/903687449.db2.gz UFLVRRIEKGPCLY-CYBMUJFWSA-N 2 2 299.415 -0.330 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC1(CO)CC[NH+](CCCO)CC1 ZINC001408283183 903740828 /nfs/dbraw/zinc/74/08/28/903740828.db2.gz OWGWOFUXCXWSQK-UHFFFAOYSA-N 2 2 296.371 -0.722 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@@H](O)C(C)(C)O)CC1 ZINC001459794474 914745616 /nfs/dbraw/zinc/74/56/16/914745616.db2.gz BEGUVHDHKIJSJG-CHWSQXEVSA-N 2 2 299.415 -0.643 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@@H](O)C(C)(C)O)CC1 ZINC001459794474 914745629 /nfs/dbraw/zinc/74/56/29/914745629.db2.gz BEGUVHDHKIJSJG-CHWSQXEVSA-N 2 2 299.415 -0.643 20 0 CBADLP CC[NH+](CC)CC(=O)N(C)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001408665950 903805423 /nfs/dbraw/zinc/80/54/23/903805423.db2.gz FQLHMGBCGSFWJP-UHFFFAOYSA-N 2 2 295.387 -0.131 20 0 CBADLP CNC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001409411150 903898375 /nfs/dbraw/zinc/89/83/75/903898375.db2.gz ZSMYECDUJUHNHX-UWVGGRQHSA-N 2 2 281.360 -0.429 20 0 CBADLP CNC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001409411150 903898382 /nfs/dbraw/zinc/89/83/82/903898382.db2.gz ZSMYECDUJUHNHX-UWVGGRQHSA-N 2 2 281.360 -0.429 20 0 CBADLP C[C@@H](O)C[NH+]1CC(CCO)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001409749522 903970818 /nfs/dbraw/zinc/97/08/18/903970818.db2.gz KRFKXBLOZCZFTJ-GFCCVEGCSA-N 2 2 297.399 -0.984 20 0 CBADLP C[C@H](O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001410106664 904018962 /nfs/dbraw/zinc/01/89/62/904018962.db2.gz JQWGVDQGIKKKDN-XDQVBPFNSA-N 2 2 292.383 -0.052 20 0 CBADLP C[C@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001410106664 904018978 /nfs/dbraw/zinc/01/89/78/904018978.db2.gz JQWGVDQGIKKKDN-XDQVBPFNSA-N 2 2 292.383 -0.052 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001410106124 904020777 /nfs/dbraw/zinc/02/07/77/904020777.db2.gz DASCMSQTDIPIRV-DBIOUOCHSA-N 2 2 291.355 -0.880 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001410106124 904020795 /nfs/dbraw/zinc/02/07/95/904020795.db2.gz DASCMSQTDIPIRV-DBIOUOCHSA-N 2 2 291.355 -0.880 20 0 CBADLP C[C@@H](CN(C)C(=O)CCCn1cc[nH+]c1)[NH2+][C@@H](C)C(N)=O ZINC001410515518 904114136 /nfs/dbraw/zinc/11/41/36/904114136.db2.gz COJXKQFADIARDA-RYUDHWBXSA-N 2 2 295.387 -0.026 20 0 CBADLP C[C@@H]1[C@H](C(=O)NC[C@H](CO)[NH2+]Cc2ccon2)CC[N@@H+]1C ZINC001410650461 904151397 /nfs/dbraw/zinc/15/13/97/904151397.db2.gz HCNFEVKZRCJPHF-RAIGVLPGSA-N 2 2 296.371 -0.419 20 0 CBADLP C[C@@H]1[C@H](C(=O)NC[C@H](CO)[NH2+]Cc2ccon2)CC[N@H+]1C ZINC001410650461 904151404 /nfs/dbraw/zinc/15/14/04/904151404.db2.gz HCNFEVKZRCJPHF-RAIGVLPGSA-N 2 2 296.371 -0.419 20 0 CBADLP NC(=O)C[NH2+]C[C@@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001410948281 904209323 /nfs/dbraw/zinc/20/93/23/904209323.db2.gz UETWDEYQDNFEKK-ZJUUUORDSA-N 2 2 279.344 -0.688 20 0 CBADLP CC(C)(O)[C@@H](O)C[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC001412958822 904822928 /nfs/dbraw/zinc/82/29/28/904822928.db2.gz JOCNKFBJPFCZOD-STQMWFEESA-N 2 2 299.415 -0.468 20 0 CBADLP CC(C)(O)[C@@H](O)C[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC001412958822 904822945 /nfs/dbraw/zinc/82/29/45/904822945.db2.gz JOCNKFBJPFCZOD-STQMWFEESA-N 2 2 299.415 -0.468 20 0 CBADLP NC(=O)Cn1cc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)nn1 ZINC001413152673 904937433 /nfs/dbraw/zinc/93/74/33/904937433.db2.gz NCZZMFVNIACGNS-VIFPVBQESA-N 2 2 275.316 -0.936 20 0 CBADLP C[C@H](CCNS(=O)(=O)N1CC[NH+](C)CC1)[NH+](C)C ZINC001413402942 905057221 /nfs/dbraw/zinc/05/72/21/905057221.db2.gz HGVPFWANCGAPDT-LLVKDONJSA-N 2 2 278.422 -0.592 20 0 CBADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NC[C@H](C)[NH+](C)C ZINC001413724749 905180699 /nfs/dbraw/zinc/18/06/99/905180699.db2.gz DFTNEKISYAUSAR-OLZOCXBDSA-N 2 2 285.436 -0.128 20 0 CBADLP CNC(=O)C[N@@H+]1CCCN(c2nccnc2C[NH3+])CC1 ZINC001413909909 905268263 /nfs/dbraw/zinc/26/82/63/905268263.db2.gz OLWGXSZRYQLUPV-UHFFFAOYSA-N 2 2 278.360 -0.807 20 0 CBADLP CNC(=O)C[N@H+]1CCCN(c2nccnc2C[NH3+])CC1 ZINC001413909909 905268278 /nfs/dbraw/zinc/26/82/78/905268278.db2.gz OLWGXSZRYQLUPV-UHFFFAOYSA-N 2 2 278.360 -0.807 20 0 CBADLP CCCC[N@H+](C)CCNS(=O)(=O)N1CC[NH+](C)CC1 ZINC001414215894 905371597 /nfs/dbraw/zinc/37/15/97/905371597.db2.gz RROQJLCDTKHQGN-UHFFFAOYSA-N 2 2 292.449 -0.200 20 0 CBADLP CCCC[N@@H+](C)CCNS(=O)(=O)N1CC[NH+](C)CC1 ZINC001414215894 905371617 /nfs/dbraw/zinc/37/16/17/905371617.db2.gz RROQJLCDTKHQGN-UHFFFAOYSA-N 2 2 292.449 -0.200 20 0 CBADLP C[C@H](CNC(=O)C[NH+]1CCCC1)NC(=O)Cn1cc[nH+]c1 ZINC001415172139 905572836 /nfs/dbraw/zinc/57/28/36/905572836.db2.gz DZEAZAXCXQDXQQ-GFCCVEGCSA-N 2 2 293.371 -0.400 20 0 CBADLP CN(CCN(C)C(=O)Cc1c[nH+]c[nH]1)C(=O)CC[NH+](C)C ZINC001416682017 905755899 /nfs/dbraw/zinc/75/58/99/905755899.db2.gz QTWWVBCMOYYLTN-UHFFFAOYSA-N 2 2 295.387 -0.179 20 0 CBADLP CC[NH+](CC)CC(=O)NC[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001416951487 905840093 /nfs/dbraw/zinc/84/00/93/905840093.db2.gz KKPUWXNVNAFHMY-NSHDSACASA-N 2 2 295.387 -0.085 20 0 CBADLP C[NH+](C)CCC(=O)NCC1(NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001417194393 905873201 /nfs/dbraw/zinc/87/32/01/905873201.db2.gz DSZBDSBYTYFDRD-UHFFFAOYSA-N 2 2 293.371 -0.331 20 0 CBADLP COC[C@@H](O)C[N@@H+]1CC[C@H]1CN(C)C(=O)Cn1cc[nH+]c1 ZINC001417755753 906040835 /nfs/dbraw/zinc/04/08/35/906040835.db2.gz NNCHBWGLYSSRMW-STQMWFEESA-N 2 2 296.371 -0.577 20 0 CBADLP COC[C@@H](O)C[N@H+]1CC[C@H]1CN(C)C(=O)Cn1cc[nH+]c1 ZINC001417755753 906040851 /nfs/dbraw/zinc/04/08/51/906040851.db2.gz NNCHBWGLYSSRMW-STQMWFEESA-N 2 2 296.371 -0.577 20 0 CBADLP CC(C)[C@H](C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1)[NH+](C)C ZINC001417913355 906102217 /nfs/dbraw/zinc/10/22/17/906102217.db2.gz ITZSAUGBHQMMCH-DGCLKSJQSA-N 2 2 284.404 -0.362 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CC(=O)NC2CC2)C1 ZINC001417951201 906119544 /nfs/dbraw/zinc/11/95/44/906119544.db2.gz COKYWLJXGLYUIR-ZDUSSCGKSA-N 2 2 296.415 -0.204 20 0 CBADLP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001417951201 906119548 /nfs/dbraw/zinc/11/95/48/906119548.db2.gz COKYWLJXGLYUIR-ZDUSSCGKSA-N 2 2 296.415 -0.204 20 0 CBADLP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001417951201 906119551 /nfs/dbraw/zinc/11/95/51/906119551.db2.gz COKYWLJXGLYUIR-ZDUSSCGKSA-N 2 2 296.415 -0.204 20 0 CBADLP O=C(NC[C@H]([NH2+]CCO)C1CC1)[C@H]1CCc2[nH+]ccn2C1 ZINC001417987358 906132247 /nfs/dbraw/zinc/13/22/47/906132247.db2.gz YUIOENRLQLYHIL-STQMWFEESA-N 2 2 292.383 -0.078 20 0 CBADLP O=C(NC[C@@H]([NH2+]CCO)C1CC1)[C@H]1CCc2[nH+]ccn2C1 ZINC001417987357 906132545 /nfs/dbraw/zinc/13/25/45/906132545.db2.gz YUIOENRLQLYHIL-QWHCGFSZSA-N 2 2 292.383 -0.078 20 0 CBADLP CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001418040401 906145007 /nfs/dbraw/zinc/14/50/07/906145007.db2.gz CGZFFLUVCGWKAP-LBPRGKRZSA-N 2 2 293.371 -0.331 20 0 CBADLP CC(C)CNC(=O)C[NH2+][C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001418283376 906256308 /nfs/dbraw/zinc/25/63/08/906256308.db2.gz KMODSQGGTMTXPA-LLVKDONJSA-N 2 2 295.387 -0.181 20 0 CBADLP COC[C@H](O)C[NH2+][C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001418294522 906262068 /nfs/dbraw/zinc/26/20/68/906262068.db2.gz YGLOBGTWLCVSPZ-VHSXEESVSA-N 2 2 270.333 -0.946 20 0 CBADLP CCN(C)C(=O)C[NH2+][C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001418321230 906279280 /nfs/dbraw/zinc/27/92/80/906279280.db2.gz JXKPYDMXARLITQ-NSHDSACASA-N 2 2 281.360 -0.544 20 0 CBADLP C[C@@H](CCNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CCn1cncn1 ZINC001418430241 906321610 /nfs/dbraw/zinc/32/16/10/906321610.db2.gz NRASMVAHTRPPIS-NSHDSACASA-N 2 2 291.359 -0.272 20 0 CBADLP CC[C@H]([NH2+][C@H](C)CCNC(=O)Cn1cc[nH+]c1)C(N)=O ZINC001418440589 906324582 /nfs/dbraw/zinc/32/45/82/906324582.db2.gz WLAZEHFTDZXNCO-MNOVXSKESA-N 2 2 281.360 -0.369 20 0 CBADLP C[C@@H]1[C@H](C(=O)NCC[NH+](C)CC(=O)N(C)C)CC[N@@H+]1C ZINC001418459788 906348561 /nfs/dbraw/zinc/34/85/61/906348561.db2.gz GKVNKISVPAORIL-VXGBXAGGSA-N 2 2 284.404 -0.537 20 0 CBADLP C[C@@H]1[C@H](C(=O)NCC[NH+](C)CC(=O)N(C)C)CC[N@H+]1C ZINC001418459788 906348571 /nfs/dbraw/zinc/34/85/71/906348571.db2.gz GKVNKISVPAORIL-VXGBXAGGSA-N 2 2 284.404 -0.537 20 0 CBADLP C[C@@H]1[C@H](C(=O)NCC[N@H+](C)CC(=O)N(C)C)CC[NH+]1C ZINC001418459788 906348581 /nfs/dbraw/zinc/34/85/81/906348581.db2.gz GKVNKISVPAORIL-VXGBXAGGSA-N 2 2 284.404 -0.537 20 0 CBADLP C[C@@H]1[C@H](C(=O)NCC[N@@H+](C)CC(=O)N(C)C)CC[NH+]1C ZINC001418459788 906348591 /nfs/dbraw/zinc/34/85/91/906348591.db2.gz GKVNKISVPAORIL-VXGBXAGGSA-N 2 2 284.404 -0.537 20 0 CBADLP CC[N@H+](CCNC(=O)Cn1cc[nH+]c1)[C@H](C)C(=O)N(C)C ZINC001418584477 906414048 /nfs/dbraw/zinc/41/40/48/906414048.db2.gz QAXDEHMFZIFXBW-GFCCVEGCSA-N 2 2 295.387 -0.202 20 0 CBADLP CC[N@@H+](CCNC(=O)Cn1cc[nH+]c1)[C@H](C)C(=O)N(C)C ZINC001418584477 906414057 /nfs/dbraw/zinc/41/40/57/906414057.db2.gz QAXDEHMFZIFXBW-GFCCVEGCSA-N 2 2 295.387 -0.202 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N(C)C[C@H]1CC[NH+]1[C@@H](C)C(N)=O ZINC001418601373 906422828 /nfs/dbraw/zinc/42/28/28/906422828.db2.gz LBIYQVYRJNEYOA-NWDGAFQWSA-N 2 2 284.404 -0.267 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N(C)C[C@H]1CC[NH+]1[C@@H](C)C(N)=O ZINC001418601373 906422841 /nfs/dbraw/zinc/42/28/41/906422841.db2.gz LBIYQVYRJNEYOA-NWDGAFQWSA-N 2 2 284.404 -0.267 20 0 CBADLP CC(C)[NH+](C)CC(=O)N(C)C[C@H]1CC[N@@H+]1[C@@H](C)C(N)=O ZINC001418601373 906422846 /nfs/dbraw/zinc/42/28/46/906422846.db2.gz LBIYQVYRJNEYOA-NWDGAFQWSA-N 2 2 284.404 -0.267 20 0 CBADLP CC(C)[NH+](C)CC(=O)N(C)C[C@H]1CC[N@H+]1[C@@H](C)C(N)=O ZINC001418601373 906422862 /nfs/dbraw/zinc/42/28/62/906422862.db2.gz LBIYQVYRJNEYOA-NWDGAFQWSA-N 2 2 284.404 -0.267 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N(C)C[C@H]1CC[NH+]1[C@@H]1CCNC1=O ZINC001418605941 906425770 /nfs/dbraw/zinc/42/57/70/906425770.db2.gz QKOALCZMLAROIX-CHWSQXEVSA-N 2 2 296.415 -0.252 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N(C)C[C@H]1CC[NH+]1[C@@H]1CCNC1=O ZINC001418605941 906425783 /nfs/dbraw/zinc/42/57/83/906425783.db2.gz QKOALCZMLAROIX-CHWSQXEVSA-N 2 2 296.415 -0.252 20 0 CBADLP CC(C)[NH+](C)CC(=O)N(C)C[C@H]1CC[N@@H+]1[C@@H]1CCNC1=O ZINC001418605941 906425795 /nfs/dbraw/zinc/42/57/95/906425795.db2.gz QKOALCZMLAROIX-CHWSQXEVSA-N 2 2 296.415 -0.252 20 0 CBADLP CC(C)[NH+](C)CC(=O)N(C)C[C@H]1CC[N@H+]1[C@@H]1CCNC1=O ZINC001418605941 906425802 /nfs/dbraw/zinc/42/58/02/906425802.db2.gz QKOALCZMLAROIX-CHWSQXEVSA-N 2 2 296.415 -0.252 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001418647378 906436484 /nfs/dbraw/zinc/43/64/84/906436484.db2.gz KQIKYZDNDZNAHL-AXFHLTTASA-N 2 2 291.355 -0.675 20 0 CBADLP CN(C)C(=O)C[N@@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001418715003 906455585 /nfs/dbraw/zinc/45/55/85/906455585.db2.gz YUVGDXLQEWCTSO-GFCCVEGCSA-N 2 2 293.371 -0.591 20 0 CBADLP CN(C)C(=O)C[N@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001418715003 906455592 /nfs/dbraw/zinc/45/55/92/906455592.db2.gz YUVGDXLQEWCTSO-GFCCVEGCSA-N 2 2 293.371 -0.591 20 0 CBADLP CCC[N@H+](CCNC(=O)Cn1cc[nH+]c1)[C@@H]1CCNC1=O ZINC001418735317 906460116 /nfs/dbraw/zinc/46/01/16/906460116.db2.gz ANDYEEGDTSYFDD-GFCCVEGCSA-N 2 2 293.371 -0.400 20 0 CBADLP CCC[N@@H+](CCNC(=O)Cn1cc[nH+]c1)[C@@H]1CCNC1=O ZINC001418735317 906460122 /nfs/dbraw/zinc/46/01/22/906460122.db2.gz ANDYEEGDTSYFDD-GFCCVEGCSA-N 2 2 293.371 -0.400 20 0 CBADLP CN(C)C(=O)C[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)C1CC1 ZINC001418753858 906461856 /nfs/dbraw/zinc/46/18/56/906461856.db2.gz PXCXGPLXOBBZBL-ZDUSSCGKSA-N 2 2 296.415 -0.251 20 0 CBADLP CN(C)C(=O)C[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)C1CC1 ZINC001418753858 906461862 /nfs/dbraw/zinc/46/18/62/906461862.db2.gz PXCXGPLXOBBZBL-ZDUSSCGKSA-N 2 2 296.415 -0.251 20 0 CBADLP CN(C)C(=O)C[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001418753858 906461874 /nfs/dbraw/zinc/46/18/74/906461874.db2.gz PXCXGPLXOBBZBL-ZDUSSCGKSA-N 2 2 296.415 -0.251 20 0 CBADLP CN(C)C(=O)C[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001418753858 906461885 /nfs/dbraw/zinc/46/18/85/906461885.db2.gz PXCXGPLXOBBZBL-ZDUSSCGKSA-N 2 2 296.415 -0.251 20 0 CBADLP CNC(=O)C[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)C1CC1 ZINC001418768278 906468284 /nfs/dbraw/zinc/46/82/84/906468284.db2.gz MBNKDNLCZSPCFN-CYBMUJFWSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)C1CC1 ZINC001418768278 906468301 /nfs/dbraw/zinc/46/83/01/906468301.db2.gz MBNKDNLCZSPCFN-CYBMUJFWSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1C)C1CC1 ZINC001418768278 906468314 /nfs/dbraw/zinc/46/83/14/906468314.db2.gz MBNKDNLCZSPCFN-CYBMUJFWSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1C)C1CC1 ZINC001418768278 906468332 /nfs/dbraw/zinc/46/83/32/906468332.db2.gz MBNKDNLCZSPCFN-CYBMUJFWSA-N 2 2 296.415 -0.203 20 0 CBADLP CCCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001418818286 906483290 /nfs/dbraw/zinc/48/32/90/906483290.db2.gz IEWTUCFXZUDGMB-NSHDSACASA-N 2 2 295.387 -0.085 20 0 CBADLP CCCN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001418870176 906504744 /nfs/dbraw/zinc/50/47/44/906504744.db2.gz YQWQGGKUFDPDFX-QWHCGFSZSA-N 2 2 296.415 -0.121 20 0 CBADLP CCCN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001418870176 906504747 /nfs/dbraw/zinc/50/47/47/906504747.db2.gz YQWQGGKUFDPDFX-QWHCGFSZSA-N 2 2 296.415 -0.121 20 0 CBADLP CCCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](CC(N)=O)C1 ZINC001418870176 906504760 /nfs/dbraw/zinc/50/47/60/906504760.db2.gz YQWQGGKUFDPDFX-QWHCGFSZSA-N 2 2 296.415 -0.121 20 0 CBADLP CCCN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CC[NH+](CC(N)=O)C1 ZINC001418870176 906504768 /nfs/dbraw/zinc/50/47/68/906504768.db2.gz YQWQGGKUFDPDFX-QWHCGFSZSA-N 2 2 296.415 -0.121 20 0 CBADLP C[C@@H](C(N)=O)[N@H+](C)C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001418941337 906524558 /nfs/dbraw/zinc/52/45/58/906524558.db2.gz HNFRMTSQAVPQGL-QWRGUYRKSA-N 2 2 293.371 -0.394 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001418941337 906524578 /nfs/dbraw/zinc/52/45/78/906524578.db2.gz HNFRMTSQAVPQGL-QWRGUYRKSA-N 2 2 293.371 -0.394 20 0 CBADLP C[C@H]1CC[N@@H+](CC(=O)NCC2C[NH+](CC(=O)N(C)C)C2)C1 ZINC001419030462 906571011 /nfs/dbraw/zinc/57/10/11/906571011.db2.gz BRWFHHPOZDCKLY-LBPRGKRZSA-N 2 2 296.415 -0.536 20 0 CBADLP COC[C@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1 ZINC001419054470 906579356 /nfs/dbraw/zinc/57/93/56/906579356.db2.gz SHBJFMAPRIINCK-RWMBFGLXSA-N 2 2 294.355 -0.825 20 0 CBADLP COC[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1 ZINC001419054470 906579367 /nfs/dbraw/zinc/57/93/67/906579367.db2.gz SHBJFMAPRIINCK-RWMBFGLXSA-N 2 2 294.355 -0.825 20 0 CBADLP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1nnn(C)n1 ZINC001419292142 906657922 /nfs/dbraw/zinc/65/79/22/906657922.db2.gz WWUMTZWPAOEMSL-QWRGUYRKSA-N 2 2 295.391 -0.854 20 0 CBADLP CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1nnn(C)n1 ZINC001419292142 906657937 /nfs/dbraw/zinc/65/79/37/906657937.db2.gz WWUMTZWPAOEMSL-QWRGUYRKSA-N 2 2 295.391 -0.854 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@H]([NH2+][C@@H]1CCNC1=O)C1CC1 ZINC001419322829 906662061 /nfs/dbraw/zinc/66/20/61/906662061.db2.gz JUXOFWCJFPFGDB-NEPJUHHUSA-N 2 2 291.355 -0.744 20 0 CBADLP CCC[N@H+](C)CC(=O)NC[C@H]1C[NH+](C[C@@H](C)O)CCO1 ZINC001419593002 906737973 /nfs/dbraw/zinc/73/79/73/906737973.db2.gz HSNNHKFDJTXNJN-OLZOCXBDSA-N 2 2 287.404 -0.474 20 0 CBADLP CCC[N@@H+](C)CC(=O)NC[C@H]1C[NH+](C[C@@H](C)O)CCO1 ZINC001419593002 906737981 /nfs/dbraw/zinc/73/79/81/906737981.db2.gz HSNNHKFDJTXNJN-OLZOCXBDSA-N 2 2 287.404 -0.474 20 0 CBADLP CCC[NH+](C)CC(=O)NC[C@H]1C[N@H+](C[C@@H](C)O)CCO1 ZINC001419593002 906737998 /nfs/dbraw/zinc/73/79/98/906737998.db2.gz HSNNHKFDJTXNJN-OLZOCXBDSA-N 2 2 287.404 -0.474 20 0 CBADLP CCC[NH+](C)CC(=O)NC[C@H]1C[N@@H+](C[C@@H](C)O)CCO1 ZINC001419593002 906738015 /nfs/dbraw/zinc/73/80/15/906738015.db2.gz HSNNHKFDJTXNJN-OLZOCXBDSA-N 2 2 287.404 -0.474 20 0 CBADLP CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)CCn1cc[nH+]c1 ZINC001419686639 906764596 /nfs/dbraw/zinc/76/45/96/906764596.db2.gz MKYYSEQKRQWEOI-GFCCVEGCSA-N 2 2 295.387 -0.154 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]C[C@H](C)N(C)C(=O)CCn1cc[nH+]c1 ZINC001419693975 906769343 /nfs/dbraw/zinc/76/93/43/906769343.db2.gz BVHDNUWCVBWZMM-RYUDHWBXSA-N 2 2 295.387 -0.156 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]Cc1cnn(C)n1 ZINC001419767824 906806370 /nfs/dbraw/zinc/80/63/70/906806370.db2.gz DCGCADBSBNKYCG-AAEUAGOBSA-N 2 2 294.403 -0.106 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]Cc1cnn(C)n1 ZINC001419767824 906806384 /nfs/dbraw/zinc/80/63/84/906806384.db2.gz DCGCADBSBNKYCG-AAEUAGOBSA-N 2 2 294.403 -0.106 20 0 CBADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001419857660 906838247 /nfs/dbraw/zinc/83/82/47/906838247.db2.gz GPBCPWCOQBFWHY-UWVGGRQHSA-N 2 2 293.371 -0.286 20 0 CBADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]CCn1cccn1 ZINC001419900395 906848829 /nfs/dbraw/zinc/84/88/29/906848829.db2.gz NIFVAYJGFPBYAF-GFCCVEGCSA-N 2 2 290.371 -0.046 20 0 CBADLP Cc1nnc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CC[N@H+](C)C2)o1 ZINC001419915194 906856284 /nfs/dbraw/zinc/85/62/84/906856284.db2.gz AAVHLRRTDOFDOR-GXSJLCMTSA-N 2 2 281.360 -0.076 20 0 CBADLP Cc1nnc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)C2)o1 ZINC001419915194 906856293 /nfs/dbraw/zinc/85/62/93/906856293.db2.gz AAVHLRRTDOFDOR-GXSJLCMTSA-N 2 2 281.360 -0.076 20 0 CBADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+][C@@H]1CCN(C)C1=O ZINC001419954741 906873545 /nfs/dbraw/zinc/87/35/45/906873545.db2.gz HZLROHHJYHDXEG-GHMZBOCLSA-N 2 2 279.344 -0.792 20 0 CBADLP NC(=O)C[NH2+][C@H]1CCC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001420007190 906897194 /nfs/dbraw/zinc/89/71/94/906897194.db2.gz AZBLOAVLIGQBFX-NWDGAFQWSA-N 2 2 293.371 -0.225 20 0 CBADLP C[C@H](CCNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CCn1cncn1 ZINC001420138093 906965588 /nfs/dbraw/zinc/96/55/88/906965588.db2.gz FNBJLWFJVBROBS-LLVKDONJSA-N 2 2 291.359 -0.272 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@@H](C)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001420150805 906969593 /nfs/dbraw/zinc/96/95/93/906969593.db2.gz AJJVIEWVKYMTRL-VHSXEESVSA-N 2 2 281.360 -0.429 20 0 CBADLP O=C(CCn1cc[nH+]c1)NC[C@@H](O)C[NH2+]C[C@@H]1CCOC1 ZINC001420166568 906978761 /nfs/dbraw/zinc/97/87/61/906978761.db2.gz VKTIDSBQNOGFMY-STQMWFEESA-N 2 2 296.371 -0.624 20 0 CBADLP C[C@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1ncnn1C ZINC001420172284 906987074 /nfs/dbraw/zinc/98/70/74/906987074.db2.gz RKQQEMNSPDZJJZ-LLVKDONJSA-N 2 2 291.359 -0.304 20 0 CBADLP CCN(C)C(=O)C[N@H+](C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001420245571 907044606 /nfs/dbraw/zinc/04/46/06/907044606.db2.gz WQEBUVOMWVNTSZ-UHFFFAOYSA-N 2 2 298.431 -0.003 20 0 CBADLP CCN(C)C(=O)C[N@@H+](C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001420245571 907044619 /nfs/dbraw/zinc/04/46/19/907044619.db2.gz WQEBUVOMWVNTSZ-UHFFFAOYSA-N 2 2 298.431 -0.003 20 0 CBADLP C[NH+](C)CC1(C(=O)NCC[N@H+](C)CC(=O)NC2CC2)CC1 ZINC001420286041 907070557 /nfs/dbraw/zinc/07/05/57/907070557.db2.gz YHGMXJCKJJTDIQ-UHFFFAOYSA-N 2 2 296.415 -0.345 20 0 CBADLP C[NH+](C)CC1(C(=O)NCC[N@@H+](C)CC(=O)NC2CC2)CC1 ZINC001420286041 907070576 /nfs/dbraw/zinc/07/05/76/907070576.db2.gz YHGMXJCKJJTDIQ-UHFFFAOYSA-N 2 2 296.415 -0.345 20 0 CBADLP CC[C@@H](C(=O)NCC[N@H+](C)CC(=O)N1CCCC1)[NH+](C)C ZINC001420299581 907086841 /nfs/dbraw/zinc/08/68/41/907086841.db2.gz PAIWROFJANLGJB-ZDUSSCGKSA-N 2 2 298.431 -0.003 20 0 CBADLP CC[C@@H](C(=O)NCC[N@@H+](C)CC(=O)N1CCCC1)[NH+](C)C ZINC001420299581 907086859 /nfs/dbraw/zinc/08/68/59/907086859.db2.gz PAIWROFJANLGJB-ZDUSSCGKSA-N 2 2 298.431 -0.003 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NC[C@H]1CCC[N@H+]1[C@@H](C)C(N)=O ZINC001420467701 907174359 /nfs/dbraw/zinc/17/43/59/907174359.db2.gz KDBZOMQCEZZVQH-NWDGAFQWSA-N 2 2 293.371 -0.354 20 0 CBADLP C[C@@H](C[NH2+]CC(=O)NC1CC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001420482933 907179537 /nfs/dbraw/zinc/17/95/37/907179537.db2.gz QOGHMNDXPSLDDQ-VIFPVBQESA-N 2 2 279.344 -0.675 20 0 CBADLP CNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001420496912 907181790 /nfs/dbraw/zinc/18/17/90/907181790.db2.gz VNVISGGVGIMUDD-GFCCVEGCSA-N 2 2 282.388 -0.591 20 0 CBADLP CNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001420496912 907181799 /nfs/dbraw/zinc/18/17/99/907181799.db2.gz VNVISGGVGIMUDD-GFCCVEGCSA-N 2 2 282.388 -0.591 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C[NH2+][C@H]1CCNC1=O ZINC001420500932 907184771 /nfs/dbraw/zinc/18/47/71/907184771.db2.gz PKNGHCFOAZVWBQ-WPRPVWTQSA-N 2 2 279.344 -0.757 20 0 CBADLP COC[C@@H](O)C[N@@H+]1CC[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001420537958 907203384 /nfs/dbraw/zinc/20/33/84/907203384.db2.gz DLHTVGRHKUUBGO-RYUDHWBXSA-N 2 2 296.371 -0.602 20 0 CBADLP COC[C@@H](O)C[N@H+]1CC[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001420537958 907203398 /nfs/dbraw/zinc/20/33/98/907203398.db2.gz DLHTVGRHKUUBGO-RYUDHWBXSA-N 2 2 296.371 -0.602 20 0 CBADLP CC[C@@H]([NH2+]CCN(C)C(=O)CCc1[nH+]ccn1C)C(N)=O ZINC001420725995 907284390 /nfs/dbraw/zinc/28/43/90/907284390.db2.gz GBKWGLIXMOCUFK-LLVKDONJSA-N 2 2 295.387 -0.335 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N(C)CC[NH2+][C@H]1CCN(C)C1=O ZINC001420740954 907291497 /nfs/dbraw/zinc/29/14/97/907291497.db2.gz LMMCCXNCRDZLIU-NSHDSACASA-N 2 2 293.371 -0.461 20 0 CBADLP CN(CC[NH2+][C@@H]1CCNC1=O)C(=O)CCCn1cc[nH+]c1 ZINC001420750705 907295728 /nfs/dbraw/zinc/29/57/28/907295728.db2.gz ZTHAKWHHUQMVBD-GFCCVEGCSA-N 2 2 293.371 -0.400 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NCC[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001420899516 907344339 /nfs/dbraw/zinc/34/43/39/907344339.db2.gz VMRFTTZHKYMTAD-NSHDSACASA-N 2 2 293.371 -0.724 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NCC[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001420899516 907344357 /nfs/dbraw/zinc/34/43/57/907344357.db2.gz VMRFTTZHKYMTAD-NSHDSACASA-N 2 2 293.371 -0.724 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC001420926856 907358590 /nfs/dbraw/zinc/35/85/90/907358590.db2.gz GGTCHUZTHRKWAG-NSHDSACASA-N 2 2 293.371 -0.474 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](C[N@H+](C)CC(N)=O)C1 ZINC001420926856 907358605 /nfs/dbraw/zinc/35/86/05/907358605.db2.gz GGTCHUZTHRKWAG-NSHDSACASA-N 2 2 293.371 -0.474 20 0 CBADLP Cn1ncnc1C[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001421000755 907386398 /nfs/dbraw/zinc/38/63/98/907386398.db2.gz FNLQZBNTEICFDN-LLVKDONJSA-N 2 2 292.387 -0.495 20 0 CBADLP Cn1ncnc1C[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001421000755 907386412 /nfs/dbraw/zinc/38/64/12/907386412.db2.gz FNLQZBNTEICFDN-LLVKDONJSA-N 2 2 292.387 -0.495 20 0 CBADLP CCCNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001421119973 907433376 /nfs/dbraw/zinc/43/33/76/907433376.db2.gz ZGYLBBCYOTZZAK-ZDUSSCGKSA-N 2 2 296.415 -0.345 20 0 CBADLP CCCNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001421119973 907433381 /nfs/dbraw/zinc/43/33/81/907433381.db2.gz ZGYLBBCYOTZZAK-ZDUSSCGKSA-N 2 2 296.415 -0.345 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]C[C@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001421119346 907434887 /nfs/dbraw/zinc/43/48/87/907434887.db2.gz UHYRIWFCTHFTAP-GHMZBOCLSA-N 2 2 293.371 -0.333 20 0 CBADLP CC[C@H]([NH2+]C[C@@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1)C(N)=O ZINC001421131050 907440308 /nfs/dbraw/zinc/44/03/08/907440308.db2.gz AQCRLHWRWSIASS-RYUDHWBXSA-N 2 2 293.371 -0.203 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)N[C@@]1(C)CC[N@H+](CCO)C1 ZINC001421220601 907468418 /nfs/dbraw/zinc/46/84/18/907468418.db2.gz ZZBHFMXOQBHIJV-AWEZNQCLSA-N 2 2 280.372 -0.074 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)N[C@@]1(C)CC[N@@H+](CCO)C1 ZINC001421220601 907468431 /nfs/dbraw/zinc/46/84/31/907468431.db2.gz ZZBHFMXOQBHIJV-AWEZNQCLSA-N 2 2 280.372 -0.074 20 0 CBADLP C[C@H](O)C[NH+]1CC(O)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001421437731 907545175 /nfs/dbraw/zinc/54/51/75/907545175.db2.gz DBVZQOKJLKOVCQ-NSHDSACASA-N 2 2 285.388 -0.986 20 0 CBADLP C[N@@H+]1CCCC[C@H]1C(=O)NCC1(O)C[NH+](CCCF)C1 ZINC001421464784 907556369 /nfs/dbraw/zinc/55/63/69/907556369.db2.gz FNRQKKHLNMTTOA-LBPRGKRZSA-N 2 2 287.379 -0.007 20 0 CBADLP C[N@H+]1CCCC[C@H]1C(=O)NCC1(O)C[NH+](CCCF)C1 ZINC001421464784 907556381 /nfs/dbraw/zinc/55/63/81/907556381.db2.gz FNRQKKHLNMTTOA-LBPRGKRZSA-N 2 2 287.379 -0.007 20 0 CBADLP C[C@@H]([NH2+]CC(N)=O)[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001421531444 907576985 /nfs/dbraw/zinc/57/69/85/907576985.db2.gz PEFPSXDUSRKJAQ-GHMZBOCLSA-N 2 2 293.371 -0.346 20 0 CBADLP C[C@@H]([NH2+]CC(N)=O)[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001421531444 907576996 /nfs/dbraw/zinc/57/69/96/907576996.db2.gz PEFPSXDUSRKJAQ-GHMZBOCLSA-N 2 2 293.371 -0.346 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]C[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001421743513 907628707 /nfs/dbraw/zinc/62/87/07/907628707.db2.gz CQLOJJGRQVLKPO-UWVGGRQHSA-N 2 2 281.360 -0.571 20 0 CBADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)C[NH2+]Cc1cnnn1C ZINC001421747566 907633280 /nfs/dbraw/zinc/63/32/80/907633280.db2.gz NTMLQUDAGCIYRK-SNVBAGLBSA-N 2 2 291.359 -0.377 20 0 CBADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)C[NH2+]CC(=O)N(C)C ZINC001421756440 907635877 /nfs/dbraw/zinc/63/58/77/907635877.db2.gz DQCKIDZDRRKMSI-NSHDSACASA-N 2 2 295.387 -0.607 20 0 CBADLP CNC(=O)C[NH2+]C1(CNC(=O)Cn2cc[nH+]c2)CCC1 ZINC001421782513 907645122 /nfs/dbraw/zinc/64/51/22/907645122.db2.gz FZTOZMZSAJPQRZ-UHFFFAOYSA-N 2 2 279.344 -0.742 20 0 CBADLP CC(C)[NH2+]C1(CO)CC[NH+](C[C@@H](O)C(C)(C)O)CC1 ZINC001421814446 907652206 /nfs/dbraw/zinc/65/22/06/907652206.db2.gz LALDHHKFDRXUSV-GFCCVEGCSA-N 2 2 274.405 -0.057 20 0 CBADLP C[C@@H](C[NH2+][C@@H]1CCCNC1=O)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001421952222 907690903 /nfs/dbraw/zinc/69/09/03/907690903.db2.gz CYYDUGMSIAJXBM-CMPLNLGQSA-N 2 2 293.371 -0.333 20 0 CBADLP C[C@@H](C[NH2+][C@@H]1CCN(C)C1=O)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001421966734 907695194 /nfs/dbraw/zinc/69/51/94/907695194.db2.gz YYLBOGFXLMHZLL-CMPLNLGQSA-N 2 2 293.371 -0.381 20 0 CBADLP CC(C)C[C@@H](C[NH2+]CC(N)=O)NC(=O)Cc1[nH]cc[nH+]1 ZINC001422021199 907703224 /nfs/dbraw/zinc/70/32/24/907703224.db2.gz UTNNFFXJDKZUPV-JTQLQIEISA-N 2 2 281.360 -0.442 20 0 CBADLP C[C@@H](CCNC(=O)CCc1[nH+]ccn1C)[NH2+]CC(N)=O ZINC001422150014 907728836 /nfs/dbraw/zinc/72/88/36/907728836.db2.gz JTDIIULIULIDQC-JTQLQIEISA-N 2 2 281.360 -0.678 20 0 CBADLP CN(C)C(=O)C[N@H+](C)CCN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001422174035 907738506 /nfs/dbraw/zinc/73/85/06/907738506.db2.gz IKLNZCWTCGAJPT-ZDUSSCGKSA-N 2 2 298.431 -0.051 20 0 CBADLP CN(C)C(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001422174035 907738517 /nfs/dbraw/zinc/73/85/17/907738517.db2.gz IKLNZCWTCGAJPT-ZDUSSCGKSA-N 2 2 298.431 -0.051 20 0 CBADLP CN(C)C(=O)C[NH+](C)CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001422174035 907738524 /nfs/dbraw/zinc/73/85/24/907738524.db2.gz IKLNZCWTCGAJPT-ZDUSSCGKSA-N 2 2 298.431 -0.051 20 0 CBADLP CN(C)C(=O)C[NH+](C)CCN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001422174035 907738532 /nfs/dbraw/zinc/73/85/32/907738532.db2.gz IKLNZCWTCGAJPT-ZDUSSCGKSA-N 2 2 298.431 -0.051 20 0 CBADLP C[N@H+](C[C@@H](O)C[NH+]1CCC(Cc2nn[nH]n2)CC1)C1CC1 ZINC001422188785 907744453 /nfs/dbraw/zinc/74/44/53/907744453.db2.gz GESRQQZOXGZHLV-CYBMUJFWSA-N 2 2 294.403 -0.091 20 0 CBADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC(Cc2nn[nH]n2)CC1)C1CC1 ZINC001422188785 907744460 /nfs/dbraw/zinc/74/44/60/907744460.db2.gz GESRQQZOXGZHLV-CYBMUJFWSA-N 2 2 294.403 -0.091 20 0 CBADLP COC[C@H](O)C[N@@H+](C)CCN(C)C(=O)Cn1cc[nH+]c1 ZINC001422247438 907757339 /nfs/dbraw/zinc/75/73/39/907757339.db2.gz NUDUAZRPZNGTLC-GFCCVEGCSA-N 2 2 284.360 -0.719 20 0 CBADLP COC[C@H](O)C[N@H+](C)CCN(C)C(=O)Cn1cc[nH+]c1 ZINC001422247438 907757335 /nfs/dbraw/zinc/75/73/35/907757335.db2.gz NUDUAZRPZNGTLC-GFCCVEGCSA-N 2 2 284.360 -0.719 20 0 CBADLP C[C@@H](CC(=O)NC1CC(C[NH2+]CC(N)=O)C1)n1cc[nH+]c1 ZINC001422274165 907773104 /nfs/dbraw/zinc/77/31/04/907773104.db2.gz DFWICQCOWPDHKB-UNXYVOJBSA-N 2 2 293.371 -0.196 20 0 CBADLP CC[C@H]([NH2+]CC1CC(NC(=O)Cc2[nH]cc[nH+]2)C1)C(N)=O ZINC001422286595 907780623 /nfs/dbraw/zinc/78/06/23/907780623.db2.gz TZDLZOQQPMWLRF-ILDUYXDCSA-N 2 2 293.371 -0.300 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)NC[C@H](O)C[NH2+]C[C@H]1CCOC1 ZINC001422309993 907794823 /nfs/dbraw/zinc/79/48/23/907794823.db2.gz APSMSHALHULAPW-DGCLKSJQSA-N 2 2 296.371 -0.555 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)NC[C@H](O)C[NH2+]C[C@H]1CCOC1 ZINC001422309993 907794832 /nfs/dbraw/zinc/79/48/32/907794832.db2.gz APSMSHALHULAPW-DGCLKSJQSA-N 2 2 296.371 -0.555 20 0 CBADLP Cc1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CCC[N@H+]2C)no1 ZINC001422350758 907814913 /nfs/dbraw/zinc/81/49/13/907814913.db2.gz LPMIWGLWONBVKM-CHWSQXEVSA-N 2 2 296.371 -0.356 20 0 CBADLP Cc1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CCC[N@@H+]2C)no1 ZINC001422350758 907814930 /nfs/dbraw/zinc/81/49/30/907814930.db2.gz LPMIWGLWONBVKM-CHWSQXEVSA-N 2 2 296.371 -0.356 20 0 CBADLP Cc1cnc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CCC[N@H+]2C)o1 ZINC001422350897 907817250 /nfs/dbraw/zinc/81/72/50/907817250.db2.gz MMNVZMSCWYMAIX-NWDGAFQWSA-N 2 2 296.371 -0.356 20 0 CBADLP Cc1cnc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CCC[N@@H+]2C)o1 ZINC001422350897 907817262 /nfs/dbraw/zinc/81/72/62/907817262.db2.gz MMNVZMSCWYMAIX-NWDGAFQWSA-N 2 2 296.371 -0.356 20 0 CBADLP O=C(NC[C@H](O)C[NH2+]CC1CC1)[C@H]1CCn2cc[nH+]c2C1 ZINC001422353761 907820691 /nfs/dbraw/zinc/82/06/91/907820691.db2.gz RNBUABVDNNVHRJ-QWHCGFSZSA-N 2 2 292.383 -0.078 20 0 CBADLP CCCNC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001422371223 907830598 /nfs/dbraw/zinc/83/05/98/907830598.db2.gz HOWNICXEKWKMNX-WDEREUQCSA-N 2 2 295.387 -0.039 20 0 CBADLP CCN(CC[NH2+][C@H](C)C(=O)NC)C(=O)Cn1cc[nH+]c1 ZINC001422454456 907867523 /nfs/dbraw/zinc/86/75/23/907867523.db2.gz VVFBRLKJHBMJRV-LLVKDONJSA-N 2 2 281.360 -0.544 20 0 CBADLP CN(C)C(=O)CC[NH+]1CCC([NH2+]Cc2cnnn2C)CC1 ZINC001422609835 907945916 /nfs/dbraw/zinc/94/59/16/907945916.db2.gz QJVJSRQXBZFLED-UHFFFAOYSA-N 2 2 294.403 -0.153 20 0 CBADLP CO[C@@H](C)C[NH+]1CC(CCO)(NC(=O)C[NH+]2CCCC2)C1 ZINC001422646162 907961559 /nfs/dbraw/zinc/96/15/59/907961559.db2.gz JVOGLLOUGXLPEF-ZDUSSCGKSA-N 2 2 299.415 -0.330 20 0 CBADLP O=C(C[NH+]1CCCC1)NC1(CCO)C[NH+](CCCF)C1 ZINC001422647265 907968328 /nfs/dbraw/zinc/96/83/28/907968328.db2.gz QKXFCGCGCXZBEA-UHFFFAOYSA-N 2 2 287.379 -0.005 20 0 CBADLP O=C(C[NH+]1CCCC1)NC1(CCO)C[NH+](CCCO)C1 ZINC001422646464 907968530 /nfs/dbraw/zinc/96/85/30/907968530.db2.gz MAHDKUQPKZASNL-UHFFFAOYSA-N 2 2 285.388 -0.982 20 0 CBADLP CC[C@@H](C(=O)N[C@@H](C)C1C[NH+](CC(N)=O)C1)[NH+](C)C ZINC001422751155 907992445 /nfs/dbraw/zinc/99/24/45/907992445.db2.gz JEHGULMPFIDEHF-ONGXEEELSA-N 2 2 270.377 -0.752 20 0 CBADLP CC[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1)C(N)=O ZINC001422903127 908052267 /nfs/dbraw/zinc/05/22/67/908052267.db2.gz AKJUPPNVSORBKT-NHCYSSNCSA-N 2 2 293.371 -0.300 20 0 CBADLP CC(C)[C@@H](CCNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@@H](C)C(N)=O ZINC001422956237 908062292 /nfs/dbraw/zinc/06/22/92/908062292.db2.gz GRBBGWYIZFTNRA-WDEREUQCSA-N 2 2 295.387 -0.054 20 0 CBADLP C[C@@H](CN(C)C(=O)CCc1c[nH]c[nH+]1)[NH2+][C@H]1CCNC1=O ZINC001423081292 908103239 /nfs/dbraw/zinc/10/32/39/908103239.db2.gz SKZHXBOILJYTEA-JQWIXIFHSA-N 2 2 293.371 -0.333 20 0 CBADLP C[C@@H](CN(C)C(=O)CCc1c[nH+]c[nH]1)[NH2+][C@H]1CCNC1=O ZINC001423081292 908103246 /nfs/dbraw/zinc/10/32/46/908103246.db2.gz SKZHXBOILJYTEA-JQWIXIFHSA-N 2 2 293.371 -0.333 20 0 CBADLP C[C@@H]([NH2+][C@@H](C)CN(C)C(=O)CCn1cc[nH+]c1)C(N)=O ZINC001423098387 908106787 /nfs/dbraw/zinc/10/67/87/908106787.db2.gz LEQJGEQNIIWZCQ-WDEREUQCSA-N 2 2 281.360 -0.417 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001423105561 908111582 /nfs/dbraw/zinc/11/15/82/908111582.db2.gz BFLILFOODDSRHQ-NEPJUHHUSA-N 2 2 296.415 -0.217 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001423105561 908111592 /nfs/dbraw/zinc/11/15/92/908111592.db2.gz BFLILFOODDSRHQ-NEPJUHHUSA-N 2 2 296.415 -0.217 20 0 CBADLP CCCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001423134520 908118575 /nfs/dbraw/zinc/11/85/75/908118575.db2.gz NSERZUAWXVZLCE-NSHDSACASA-N 2 2 295.387 -0.085 20 0 CBADLP COC[C@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001423162889 908122764 /nfs/dbraw/zinc/12/27/64/908122764.db2.gz AEKIFWSQIWJCJZ-VXGBXAGGSA-N 2 2 282.344 -0.919 20 0 CBADLP COC[C@H](O)C[N@H+]1CC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001423162889 908122777 /nfs/dbraw/zinc/12/27/77/908122777.db2.gz AEKIFWSQIWJCJZ-VXGBXAGGSA-N 2 2 282.344 -0.919 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NC[C@H]1CC[NH+]1[C@@H]1CCNC1=O ZINC001423170186 908126637 /nfs/dbraw/zinc/12/66/37/908126637.db2.gz ASMQESXXFRMDIF-VXGBXAGGSA-N 2 2 282.388 -0.594 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NC[C@H]1CC[NH+]1[C@@H]1CCNC1=O ZINC001423170186 908126642 /nfs/dbraw/zinc/12/66/42/908126642.db2.gz ASMQESXXFRMDIF-VXGBXAGGSA-N 2 2 282.388 -0.594 20 0 CBADLP CC(C)[NH+](C)CC(=O)NC[C@H]1CC[N@@H+]1[C@@H]1CCNC1=O ZINC001423170186 908126651 /nfs/dbraw/zinc/12/66/51/908126651.db2.gz ASMQESXXFRMDIF-VXGBXAGGSA-N 2 2 282.388 -0.594 20 0 CBADLP CC(C)[NH+](C)CC(=O)NC[C@H]1CC[N@H+]1[C@@H]1CCNC1=O ZINC001423170186 908126658 /nfs/dbraw/zinc/12/66/58/908126658.db2.gz ASMQESXXFRMDIF-VXGBXAGGSA-N 2 2 282.388 -0.594 20 0 CBADLP CNC(=O)C[NH2+][C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C ZINC001502720658 921387518 /nfs/dbraw/zinc/38/75/18/921387518.db2.gz ICGYHYMQKXXBJS-CMPLNLGQSA-N 2 2 293.371 -0.475 20 0 CBADLP CNC(=O)C[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C ZINC001502720658 921387533 /nfs/dbraw/zinc/38/75/33/921387533.db2.gz ICGYHYMQKXXBJS-CMPLNLGQSA-N 2 2 293.371 -0.475 20 0 CBADLP O=C(NC[C@H](CO)[NH2+]CCF)[C@@H]1CCc2c[nH+]cn2C1 ZINC001423226125 908168059 /nfs/dbraw/zinc/16/80/59/908168059.db2.gz FYRWSRBIILZFAS-GHMZBOCLSA-N 2 2 284.335 -0.518 20 0 CBADLP C[C@H](O)C[NH2+]C1(CNC(=O)CCc2[nH+]ccn2C)CC1 ZINC001423260792 908179439 /nfs/dbraw/zinc/17/94/39/908179439.db2.gz PULMUEJTRFHONW-NSHDSACASA-N 2 2 280.372 -0.028 20 0 CBADLP CNC(=O)C[NH2+][C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C ZINC001502720659 921387397 /nfs/dbraw/zinc/38/73/97/921387397.db2.gz ICGYHYMQKXXBJS-JQWIXIFHSA-N 2 2 293.371 -0.475 20 0 CBADLP CNC(=O)C[NH2+][C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C ZINC001502720659 921387410 /nfs/dbraw/zinc/38/74/10/921387410.db2.gz ICGYHYMQKXXBJS-JQWIXIFHSA-N 2 2 293.371 -0.475 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCC1([NH2+][C@H]2CCNC2=O)CC1 ZINC001423298413 908195251 /nfs/dbraw/zinc/19/52/51/908195251.db2.gz NQBFHBYAXHCJPV-JTQLQIEISA-N 2 2 291.355 -0.612 20 0 CBADLP Cc1cc(C[NH2+][C@H](CO)CNC(=O)C[N@@H+](C)C(C)C)no1 ZINC001423306767 908197701 /nfs/dbraw/zinc/19/77/01/908197701.db2.gz XQGPKYMHBUAJIA-ZDUSSCGKSA-N 2 2 298.387 -0.110 20 0 CBADLP Cc1cc(C[NH2+][C@H](CO)CNC(=O)C[N@H+](C)C(C)C)no1 ZINC001423306767 908197708 /nfs/dbraw/zinc/19/77/08/908197708.db2.gz XQGPKYMHBUAJIA-ZDUSSCGKSA-N 2 2 298.387 -0.110 20 0 CBADLP Cc1conc1C[NH2+][C@@H](CO)CNC(=O)C[N@@H+](C)C(C)C ZINC001423307031 908197908 /nfs/dbraw/zinc/19/79/08/908197908.db2.gz YGDLSQBKTWRYCN-GFCCVEGCSA-N 2 2 298.387 -0.110 20 0 CBADLP Cc1conc1C[NH2+][C@@H](CO)CNC(=O)C[N@H+](C)C(C)C ZINC001423307031 908197912 /nfs/dbraw/zinc/19/79/12/908197912.db2.gz YGDLSQBKTWRYCN-GFCCVEGCSA-N 2 2 298.387 -0.110 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H](CO)[NH2+]C[C@@H]1CCCOC1 ZINC001423310568 908199688 /nfs/dbraw/zinc/19/96/88/908199688.db2.gz WTSHZCHXVKNOGS-NWDGAFQWSA-N 2 2 296.371 -0.555 20 0 CBADLP COC[C@@H](C)[NH2+]C[C@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001423472611 908248166 /nfs/dbraw/zinc/24/81/66/908248166.db2.gz ZEVHWYFMUNYRHG-PWSUYJOCSA-N 2 2 284.360 -0.604 20 0 CBADLP CC1([NH2+]CC(N)=O)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001502799030 921393401 /nfs/dbraw/zinc/39/34/01/921393401.db2.gz YHGFKEIWFWROAP-UHFFFAOYSA-N 2 2 279.344 -0.592 20 0 CBADLP COC[C@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001423541596 908273167 /nfs/dbraw/zinc/27/31/67/908273167.db2.gz IFHGTEVXEQLAJP-QWHCGFSZSA-N 2 2 298.387 -0.331 20 0 CBADLP COC[C@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001423541596 908273173 /nfs/dbraw/zinc/27/31/73/908273173.db2.gz IFHGTEVXEQLAJP-QWHCGFSZSA-N 2 2 298.387 -0.331 20 0 CBADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)C[C@@H](O)C[N@H+](C)CCO ZINC001423530102 908274124 /nfs/dbraw/zinc/27/41/24/908274124.db2.gz AEPGBBBZDRYMBQ-AAEUAGOBSA-N 2 2 298.387 -0.668 20 0 CBADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCO ZINC001423530102 908274137 /nfs/dbraw/zinc/27/41/37/908274137.db2.gz AEPGBBBZDRYMBQ-AAEUAGOBSA-N 2 2 298.387 -0.668 20 0 CBADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)C[C@@H](O)C[N@H+](C)CCO ZINC001423530102 908274154 /nfs/dbraw/zinc/27/41/54/908274154.db2.gz AEPGBBBZDRYMBQ-AAEUAGOBSA-N 2 2 298.387 -0.668 20 0 CBADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCO ZINC001423530102 908274170 /nfs/dbraw/zinc/27/41/70/908274170.db2.gz AEPGBBBZDRYMBQ-AAEUAGOBSA-N 2 2 298.387 -0.668 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001423539900 908274521 /nfs/dbraw/zinc/27/45/21/908274521.db2.gz UBRANJJKVLIEJY-GFCCVEGCSA-N 2 2 298.387 -0.342 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001423539900 908274533 /nfs/dbraw/zinc/27/45/33/908274533.db2.gz UBRANJJKVLIEJY-GFCCVEGCSA-N 2 2 298.387 -0.342 20 0 CBADLP CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)N1CC[NH+](C)CC1 ZINC001423549981 908280965 /nfs/dbraw/zinc/28/09/65/908280965.db2.gz RHMNFASVWFWUQR-LBPRGKRZSA-N 2 2 290.433 -0.448 20 0 CBADLP CC[N@H+]1CCC[C@H]1CNS(=O)(=O)N1CC[NH+](C)CC1 ZINC001423549981 908280981 /nfs/dbraw/zinc/28/09/81/908280981.db2.gz RHMNFASVWFWUQR-LBPRGKRZSA-N 2 2 290.433 -0.448 20 0 CBADLP CO[C@@H](C)C[NH+]1CC(O)(CNC(=O)CC[NH+](C)C)C1 ZINC001423864737 908357461 /nfs/dbraw/zinc/35/74/61/908357461.db2.gz DFUNYXABPMVYIT-NSHDSACASA-N 2 2 273.377 -0.864 20 0 CBADLP CO[C@@H](C)C[NH+]1CC(O)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001423859379 908357504 /nfs/dbraw/zinc/35/75/04/908357504.db2.gz BIEWBUMRDJFSPT-LBPRGKRZSA-N 2 2 296.371 -0.611 20 0 CBADLP CCC[NH+]1CC(O)(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001423905975 908367837 /nfs/dbraw/zinc/36/78/37/908367837.db2.gz KYZVNQRHTJYSOA-ZDUSSCGKSA-N 2 2 299.415 -0.472 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]CC(N)=O)C1 ZINC001423948191 908376304 /nfs/dbraw/zinc/37/63/04/908376304.db2.gz MKIASGYBDCAKJM-KOLCDFICSA-N 2 2 293.371 -0.570 20 0 CBADLP C[C@@H]([NH2+]CC[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1)C(N)=O ZINC001424091955 908406678 /nfs/dbraw/zinc/40/66/78/908406678.db2.gz VNCHDAWDNHKGLJ-MNOVXSKESA-N 2 2 293.371 -0.346 20 0 CBADLP C[C@H](O)C[NH2+]C1(CNC(=O)Cc2c[nH+]cn2C)CCC1 ZINC001424217499 908427483 /nfs/dbraw/zinc/42/74/83/908427483.db2.gz UCSRYGLBJLBNSL-NSHDSACASA-N 2 2 280.372 -0.028 20 0 CBADLP COCC[NH+]1CC2(C1)CC[C@H](CNC(=O)CC[NH+](C)C)O2 ZINC001424375819 908449801 /nfs/dbraw/zinc/44/98/01/908449801.db2.gz ZUJULBKBFJOFRZ-CYBMUJFWSA-N 2 2 299.415 -0.066 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CCC(C)([NH2+]CCO)CC1 ZINC001424488757 908463418 /nfs/dbraw/zinc/46/34/18/908463418.db2.gz DNRCGOQOQBYMNI-UHFFFAOYSA-N 2 2 280.372 -0.074 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC1CC(C[NH2+][C@@H](C)C(N)=O)C1 ZINC001424757697 908500430 /nfs/dbraw/zinc/50/04/30/908500430.db2.gz WSXZZKDEEIYOJZ-WHXUTIOJSA-N 2 2 293.371 -0.381 20 0 CBADLP C[C@@H](O)C[NH+]1CC(CCO)(NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001425106872 908574932 /nfs/dbraw/zinc/57/49/32/908574932.db2.gz VRSKFIMZSQKOOC-GFCCVEGCSA-N 2 2 299.415 -0.596 20 0 CBADLP C[C@@H](O)C[NH+]1CC(CCO)(NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001425106872 908574943 /nfs/dbraw/zinc/57/49/43/908574943.db2.gz VRSKFIMZSQKOOC-GFCCVEGCSA-N 2 2 299.415 -0.596 20 0 CBADLP CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001425230246 908587428 /nfs/dbraw/zinc/58/74/28/908587428.db2.gz NNQSFASMOQAPJD-LLVKDONJSA-N 2 2 296.415 -0.347 20 0 CBADLP CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001425230246 908587437 /nfs/dbraw/zinc/58/74/37/908587437.db2.gz NNQSFASMOQAPJD-LLVKDONJSA-N 2 2 296.415 -0.347 20 0 CBADLP CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)CC[N@H+](C)CC)C1 ZINC001425244132 908591773 /nfs/dbraw/zinc/59/17/73/908591773.db2.gz GSECRZGBYLQACS-LBPRGKRZSA-N 2 2 298.431 -0.099 20 0 CBADLP CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)CC[N@@H+](C)CC)C1 ZINC001425244132 908591784 /nfs/dbraw/zinc/59/17/84/908591784.db2.gz GSECRZGBYLQACS-LBPRGKRZSA-N 2 2 298.431 -0.099 20 0 CBADLP C[C@@H](CN(C)C(=O)Cc1[nH]cc[nH+]1)[NH2+][C@H]1CCNC1=O ZINC001425677151 908688521 /nfs/dbraw/zinc/68/85/21/908688521.db2.gz YQVIXONBVSILPN-UWVGGRQHSA-N 2 2 279.344 -0.723 20 0 CBADLP CC(C)NC(=O)C[NH2+][C@H](C)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001425665863 908689526 /nfs/dbraw/zinc/68/95/26/908689526.db2.gz LFXPAELXVNSVFQ-LLVKDONJSA-N 2 2 295.387 -0.087 20 0 CBADLP C[C@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+]CC(=O)N(C)C ZINC001425689764 908692501 /nfs/dbraw/zinc/69/25/01/908692501.db2.gz CQSKTQZMEOAZDU-LLVKDONJSA-N 2 2 281.360 -0.592 20 0 CBADLP C[C@H]1[C@H]([NH2+]CC(=O)N(C)C)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001425897907 908779409 /nfs/dbraw/zinc/77/94/09/908779409.db2.gz XWJZXRKAYZVZOU-WDEREUQCSA-N 2 2 293.371 -0.381 20 0 CBADLP NC(=O)C[NH2+]C[C@@H]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001425943768 908782679 /nfs/dbraw/zinc/78/26/79/908782679.db2.gz BXGNQMNETGMSLP-MNOVXSKESA-N 2 2 293.371 -0.298 20 0 CBADLP NC(=O)C[NH2+]C[C@@H]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001425943768 908782691 /nfs/dbraw/zinc/78/26/91/908782691.db2.gz BXGNQMNETGMSLP-MNOVXSKESA-N 2 2 293.371 -0.298 20 0 CBADLP CN(C(=O)CCc1c[nH+]cn1C)C1CC([NH2+]CCO)C1 ZINC001426235929 908850771 /nfs/dbraw/zinc/85/07/71/908850771.db2.gz JOSDCTPJWWQVKB-UHFFFAOYSA-N 2 2 280.372 -0.076 20 0 CBADLP CN(C)C(=O)C[NH2+]C1CC(N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001426242610 908851692 /nfs/dbraw/zinc/85/16/92/908851692.db2.gz BRYKZDWVSLQTOV-UHFFFAOYSA-N 2 2 293.371 -0.450 20 0 CBADLP CCC[N@H+](C)CC(=O)NCCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001429406241 909235014 /nfs/dbraw/zinc/23/50/14/909235014.db2.gz DKHANJBGKIUYEM-UHFFFAOYSA-N 2 2 295.387 -0.131 20 0 CBADLP CCC[N@@H+](C)CC(=O)NCCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001429406241 909235024 /nfs/dbraw/zinc/23/50/24/909235024.db2.gz DKHANJBGKIUYEM-UHFFFAOYSA-N 2 2 295.387 -0.131 20 0 CBADLP O=C(CCn1cc[nH+]c1)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC001434333383 910104312 /nfs/dbraw/zinc/10/43/12/910104312.db2.gz NMICFUPNDBMKNU-QWHCGFSZSA-N 2 2 278.356 -0.059 20 0 CBADLP O=C(CCn1cc[nH+]c1)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC001434333383 910104319 /nfs/dbraw/zinc/10/43/19/910104319.db2.gz NMICFUPNDBMKNU-QWHCGFSZSA-N 2 2 278.356 -0.059 20 0 CBADLP C[NH+](C)Cc1ccc(C(=O)N2CC([NH2+]C3COC3)C2)cn1 ZINC001434399067 910155011 /nfs/dbraw/zinc/15/50/11/910155011.db2.gz CLFPZZMMUPJIIH-UHFFFAOYSA-N 2 2 290.367 -0.044 20 0 CBADLP COC[C@@H](O)C[NH2+][C@H]1C[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001436364407 910432416 /nfs/dbraw/zinc/43/24/16/910432416.db2.gz CJEMILDXRCCNPW-XQQFMLRXSA-N 2 2 296.371 -0.625 20 0 CBADLP NC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001436411533 910440767 /nfs/dbraw/zinc/44/07/67/910440767.db2.gz ICLBLVRDGWIKFH-WDEREUQCSA-N 2 2 279.344 -0.757 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@H]([NH+](CCO)CCO)C1 ZINC001436466085 910447360 /nfs/dbraw/zinc/44/73/60/910447360.db2.gz KIDYQUHGGBFTEK-ZDUSSCGKSA-N 2 2 296.371 -0.770 20 0 CBADLP CCC[N@H+](C)CC(=O)N[C@H]1CCC[NH+](CC(=O)NC)C1 ZINC001436694943 910467896 /nfs/dbraw/zinc/46/78/96/910467896.db2.gz MFHCSIXQKYTJKQ-LBPRGKRZSA-N 2 2 284.404 -0.345 20 0 CBADLP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[NH+](CC(=O)NC)C1 ZINC001436694943 910467916 /nfs/dbraw/zinc/46/79/16/910467916.db2.gz MFHCSIXQKYTJKQ-LBPRGKRZSA-N 2 2 284.404 -0.345 20 0 CBADLP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@H+](CC(=O)NC)C1 ZINC001436694943 910467927 /nfs/dbraw/zinc/46/79/27/910467927.db2.gz MFHCSIXQKYTJKQ-LBPRGKRZSA-N 2 2 284.404 -0.345 20 0 CBADLP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@@H+](CC(=O)NC)C1 ZINC001436694943 910467946 /nfs/dbraw/zinc/46/79/46/910467946.db2.gz MFHCSIXQKYTJKQ-LBPRGKRZSA-N 2 2 284.404 -0.345 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001436731004 910476361 /nfs/dbraw/zinc/47/63/61/910476361.db2.gz OXQYEECDPOOJRS-NSHDSACASA-N 2 2 282.388 -0.735 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001436731004 910476376 /nfs/dbraw/zinc/47/63/76/910476376.db2.gz OXQYEECDPOOJRS-NSHDSACASA-N 2 2 282.388 -0.735 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NC[C@H]1CCCC[N@@H+]1CC(N)=O ZINC001437029421 910530255 /nfs/dbraw/zinc/53/02/55/910530255.db2.gz IWZYWDRBQVSMPE-GFCCVEGCSA-N 2 2 293.371 -0.352 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NC[C@H]1CCCC[N@H+]1CC(N)=O ZINC001437029421 910530262 /nfs/dbraw/zinc/53/02/62/910530262.db2.gz IWZYWDRBQVSMPE-GFCCVEGCSA-N 2 2 293.371 -0.352 20 0 CBADLP CC[C@H](C(=O)NC[C@@H](C)[NH2+]CCS(C)(=O)=O)[NH+](C)C ZINC001437174279 910574035 /nfs/dbraw/zinc/57/40/35/910574035.db2.gz QPWMDHZNWBFPJF-GHMZBOCLSA-N 2 2 293.433 -0.535 20 0 CBADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@H]1CCN(C)C1=O ZINC001437219267 910585940 /nfs/dbraw/zinc/58/59/40/910585940.db2.gz IGUARCIHJRJDLH-ZJUUUORDSA-N 2 2 279.344 -0.723 20 0 CBADLP CCN1CC[C@H]([NH2+][C@H](C)CNC(=O)Cc2c[nH]c[nH+]2)C1=O ZINC001437208271 910589159 /nfs/dbraw/zinc/58/91/59/910589159.db2.gz XVLQSIZYFDAOMX-PWSUYJOCSA-N 2 2 293.371 -0.333 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)[NH2+]CC(=O)NC1CC1 ZINC001437252291 910596385 /nfs/dbraw/zinc/59/63/85/910596385.db2.gz RCUVOVNZYWUZDV-VIFPVBQESA-N 2 2 293.371 -0.366 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001437323764 910612360 /nfs/dbraw/zinc/61/23/60/910612360.db2.gz IEAAWEHFDPDMQU-NEPJUHHUSA-N 2 2 293.371 -0.544 20 0 CBADLP C[N@H+](CCNC(=O)Cc1[nH]cc[nH+]1)CCn1cccn1 ZINC001437538077 910679657 /nfs/dbraw/zinc/67/96/57/910679657.db2.gz QHWFLNWMBYOMIP-UHFFFAOYSA-N 2 2 276.344 -0.103 20 0 CBADLP C[N@@H+](CCNC(=O)Cc1[nH]cc[nH+]1)CCn1cccn1 ZINC001437538077 910679667 /nfs/dbraw/zinc/67/96/67/910679667.db2.gz QHWFLNWMBYOMIP-UHFFFAOYSA-N 2 2 276.344 -0.103 20 0 CBADLP CN(C)C(=O)C[N@H+](C)CCNC(=O)CC[NH+]1CCCCC1 ZINC001437566065 910688297 /nfs/dbraw/zinc/68/82/97/910688297.db2.gz QCOAGZFVVZJXGA-UHFFFAOYSA-N 2 2 298.431 -0.001 20 0 CBADLP CN(C)C(=O)C[N@@H+](C)CCNC(=O)CC[NH+]1CCCCC1 ZINC001437566065 910688305 /nfs/dbraw/zinc/68/83/05/910688305.db2.gz QCOAGZFVVZJXGA-UHFFFAOYSA-N 2 2 298.431 -0.001 20 0 CBADLP CC[N@H+](CCNC(=O)C12CCC[NH+]1CCC2)CC(N)=O ZINC001437609846 910699557 /nfs/dbraw/zinc/69/95/57/910699557.db2.gz YPLLDOGLDRXLSJ-UHFFFAOYSA-N 2 2 282.388 -0.462 20 0 CBADLP CC[N@@H+](CCNC(=O)C12CCC[NH+]1CCC2)CC(N)=O ZINC001437609846 910699563 /nfs/dbraw/zinc/69/95/63/910699563.db2.gz YPLLDOGLDRXLSJ-UHFFFAOYSA-N 2 2 282.388 -0.462 20 0 CBADLP C[C@H]([NH2+]CC(N)=O)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001437856461 910774515 /nfs/dbraw/zinc/77/45/15/910774515.db2.gz OTIIYFTVBCWCNO-NSHDSACASA-N 2 2 293.371 -0.415 20 0 CBADLP C[NH+]1CCC(CC(=O)NCC2C[NH+](CC(N)=O)C2)CC1 ZINC001438143789 910829194 /nfs/dbraw/zinc/82/91/94/910829194.db2.gz YWFPXQJOVQKLAB-UHFFFAOYSA-N 2 2 282.388 -0.748 20 0 CBADLP CCCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001438135464 910829984 /nfs/dbraw/zinc/82/99/84/910829984.db2.gz SPIOBBONBZZOQQ-GFCCVEGCSA-N 2 2 298.431 -0.099 20 0 CBADLP C[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H]1CCNC1=O ZINC001438174327 910837521 /nfs/dbraw/zinc/83/75/21/910837521.db2.gz MHXGYSBLSYHIGE-SRVKXCTJSA-N 2 2 280.372 -0.888 20 0 CBADLP C[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CCNC1=O ZINC001438174327 910837532 /nfs/dbraw/zinc/83/75/32/910837532.db2.gz MHXGYSBLSYHIGE-SRVKXCTJSA-N 2 2 280.372 -0.888 20 0 CBADLP CC(C)[C@H](C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1)[NH+](C)C ZINC001438211774 910843392 /nfs/dbraw/zinc/84/33/92/910843392.db2.gz WIMNQMHEOBYIFD-QJPTWQEYSA-N 2 2 284.404 -0.363 20 0 CBADLP CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+]([C@@H](C)C(N)=O)C1)[NH+](C)C ZINC001438211774 910843411 /nfs/dbraw/zinc/84/34/11/910843411.db2.gz WIMNQMHEOBYIFD-QJPTWQEYSA-N 2 2 284.404 -0.363 20 0 CBADLP CC[C@@H](CNC(=O)Cc1[nH]c[nH+]c1C)[NH2+]CC(=O)NC ZINC001438359551 910881173 /nfs/dbraw/zinc/88/11/73/910881173.db2.gz PVUKZUBQNQHNOY-JTQLQIEISA-N 2 2 281.360 -0.509 20 0 CBADLP CO[C@H](C)C[NH2+]C[C@@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001439036634 911068623 /nfs/dbraw/zinc/06/86/23/911068623.db2.gz SQCQAHKEKYWBJX-NXEZZACHSA-N 2 2 270.333 -0.946 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)NC[C@@H](O)C[NH2+]CC1CC1 ZINC001439048859 911072730 /nfs/dbraw/zinc/07/27/30/911072730.db2.gz ZAXWSYLOOKHZKC-ZDUSSCGKSA-N 2 2 280.372 -0.171 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001439160072 911118920 /nfs/dbraw/zinc/11/89/20/911118920.db2.gz NKXXBARVFMUHSA-VHSXEESVSA-N 2 2 281.360 -0.571 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001439160072 911118933 /nfs/dbraw/zinc/11/89/33/911118933.db2.gz NKXXBARVFMUHSA-VHSXEESVSA-N 2 2 281.360 -0.571 20 0 CBADLP CCCNC(=O)C[NH2+]C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001439295296 911168567 /nfs/dbraw/zinc/16/85/67/911168567.db2.gz YTVOSCMOJOALNV-NSHDSACASA-N 2 2 281.360 -0.496 20 0 CBADLP CNC(=O)[C@H](C)[N@H+](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001439408697 911203796 /nfs/dbraw/zinc/20/37/96/911203796.db2.gz UEBAYTVDNVGOSK-QWRGUYRKSA-N 2 2 281.360 -0.546 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001439408697 911203804 /nfs/dbraw/zinc/20/38/04/911203804.db2.gz UEBAYTVDNVGOSK-QWRGUYRKSA-N 2 2 281.360 -0.546 20 0 CBADLP CNC(=O)[C@H](C)[N@H+](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001439408695 911206535 /nfs/dbraw/zinc/20/65/35/911206535.db2.gz UEBAYTVDNVGOSK-MNOVXSKESA-N 2 2 281.360 -0.546 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001439408695 911206549 /nfs/dbraw/zinc/20/65/49/911206549.db2.gz UEBAYTVDNVGOSK-MNOVXSKESA-N 2 2 281.360 -0.546 20 0 CBADLP CC[C@@H]([NH2+]C[C@H](NC(=O)Cn1cc[nH+]c1)C1CC1)C(N)=O ZINC001439493136 911220485 /nfs/dbraw/zinc/22/04/85/911220485.db2.gz FWDWLCDJUCIVGB-NEPJUHHUSA-N 2 2 293.371 -0.369 20 0 CBADLP CC[N@H+](C)CCC(=O)NC[C@@H]1CC[NH+]1[C@@H](C)C(N)=O ZINC001439563383 911242425 /nfs/dbraw/zinc/24/24/25/911242425.db2.gz RQSPDPZBUCHDIN-QWRGUYRKSA-N 2 2 270.377 -0.608 20 0 CBADLP CC[N@@H+](C)CCC(=O)NC[C@@H]1CC[NH+]1[C@@H](C)C(N)=O ZINC001439563383 911242440 /nfs/dbraw/zinc/24/24/40/911242440.db2.gz RQSPDPZBUCHDIN-QWRGUYRKSA-N 2 2 270.377 -0.608 20 0 CBADLP CC[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+]1[C@@H](C)C(N)=O ZINC001439563383 911242453 /nfs/dbraw/zinc/24/24/53/911242453.db2.gz RQSPDPZBUCHDIN-QWRGUYRKSA-N 2 2 270.377 -0.608 20 0 CBADLP CC[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+]1[C@@H](C)C(N)=O ZINC001439563383 911242464 /nfs/dbraw/zinc/24/24/64/911242464.db2.gz RQSPDPZBUCHDIN-QWRGUYRKSA-N 2 2 270.377 -0.608 20 0 CBADLP CNC(=O)C[NH2+]CCC[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001506950480 921645918 /nfs/dbraw/zinc/64/59/18/921645918.db2.gz HLHBTTIKKQATHN-NSHDSACASA-N 2 2 281.360 -0.496 20 0 CBADLP O=C(Cn1cc[nH+]c1)NCC1([NH2+][C@H]2CCCNC2=O)CC1 ZINC001439687526 911275289 /nfs/dbraw/zinc/27/52/89/911275289.db2.gz SBQJRKYMZYVCES-NSHDSACASA-N 2 2 291.355 -0.600 20 0 CBADLP C[C@@H](O)C[NH+]1CC(N(C)C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001439754249 911284236 /nfs/dbraw/zinc/28/42/36/911284236.db2.gz DEHCXDJAPVHPTD-CHWSQXEVSA-N 2 2 299.415 -0.522 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+]1CC[C@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001439866928 911303406 /nfs/dbraw/zinc/30/34/06/911303406.db2.gz BPSPBLFHCWWNIK-WFASDCNBSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)[C@H](C)[N@H+]1CC[C@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001439866928 911303428 /nfs/dbraw/zinc/30/34/28/911303428.db2.gz BPSPBLFHCWWNIK-WFASDCNBSA-N 2 2 296.415 -0.203 20 0 CBADLP CO[C@@H](C)C[NH+]1CC(O)(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001440073834 911372016 /nfs/dbraw/zinc/37/20/16/911372016.db2.gz GYDXUITZGYKZAN-OLZOCXBDSA-N 2 2 299.415 -0.474 20 0 CBADLP CO[C@@H](C)C[NH+]1CC(O)(CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001440073834 911372038 /nfs/dbraw/zinc/37/20/38/911372038.db2.gz GYDXUITZGYKZAN-OLZOCXBDSA-N 2 2 299.415 -0.474 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@]1(CO)CCC[NH+](CCO)C1 ZINC001440165279 911393961 /nfs/dbraw/zinc/39/39/61/911393961.db2.gz RZIIWLDDNHKEJN-GXTWGEPZSA-N 2 2 285.388 -0.984 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)N[C@]1(CO)CCC[NH+](CCO)C1 ZINC001440165279 911393977 /nfs/dbraw/zinc/39/39/77/911393977.db2.gz RZIIWLDDNHKEJN-GXTWGEPZSA-N 2 2 285.388 -0.984 20 0 CBADLP C[NH+]1CCC[C@H]1C(=O)N[C@]1(CO)CCC[N@H+](CCO)C1 ZINC001440165279 911393996 /nfs/dbraw/zinc/39/39/96/911393996.db2.gz RZIIWLDDNHKEJN-GXTWGEPZSA-N 2 2 285.388 -0.984 20 0 CBADLP C[NH+]1CCC[C@H]1C(=O)N[C@]1(CO)CCC[N@@H+](CCO)C1 ZINC001440165279 911394017 /nfs/dbraw/zinc/39/40/17/911394017.db2.gz RZIIWLDDNHKEJN-GXTWGEPZSA-N 2 2 285.388 -0.984 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)C[NH+]1CCCC1 ZINC001440252743 911416451 /nfs/dbraw/zinc/41/64/51/911416451.db2.gz LMMJLOLUWYVCQD-CHWSQXEVSA-N 2 2 296.415 -0.251 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)C[NH+]1CCCC1 ZINC001440252743 911416458 /nfs/dbraw/zinc/41/64/58/911416458.db2.gz LMMJLOLUWYVCQD-CHWSQXEVSA-N 2 2 296.415 -0.251 20 0 CBADLP C[C@H](O)C[NH+]1CCC(CO)(NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001440700559 911495157 /nfs/dbraw/zinc/49/51/57/911495157.db2.gz LQMXZJQBRDFLGL-NSHDSACASA-N 2 2 296.371 -0.724 20 0 CBADLP CC(C)NC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001440842702 911527725 /nfs/dbraw/zinc/52/77/25/911527725.db2.gz XJDIBZOQRXMFNM-WDEREUQCSA-N 2 2 295.387 -0.040 20 0 CBADLP C[C@@H]([NH2+]CC(N)=O)[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001440992917 911571445 /nfs/dbraw/zinc/57/14/45/911571445.db2.gz OJEGBTTUISMPFM-GHMZBOCLSA-N 2 2 293.371 -0.203 20 0 CBADLP C[C@H](CN(C)C(=O)CCc1c[nH]c[nH+]1)[NH2+][C@H](C)C(N)=O ZINC001507083557 921672419 /nfs/dbraw/zinc/67/24/19/921672419.db2.gz UMIVBJZPWPTJMN-NXEZZACHSA-N 2 2 281.360 -0.347 20 0 CBADLP C[C@H](CN(C)C(=O)CCc1c[nH+]c[nH]1)[NH2+][C@H](C)C(N)=O ZINC001507083557 921672425 /nfs/dbraw/zinc/67/24/25/921672425.db2.gz UMIVBJZPWPTJMN-NXEZZACHSA-N 2 2 281.360 -0.347 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)NC[C@@H]([NH2+]CCO)C1CC1 ZINC001441238764 911628838 /nfs/dbraw/zinc/62/88/38/911628838.db2.gz YIFWFACFZFTDMI-GFCCVEGCSA-N 2 2 280.372 -0.171 20 0 CBADLP C[C@@H]([NH2+][C@@H](CNC(=O)Cn1cc[nH+]c1)C1CC1)C(N)=O ZINC001441294012 911637125 /nfs/dbraw/zinc/63/71/25/911637125.db2.gz HBLVRSHKQVDHPW-KOLCDFICSA-N 2 2 279.344 -0.759 20 0 CBADLP C[C@H]([NH2+]CCO)[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001441336231 911644977 /nfs/dbraw/zinc/64/49/77/911644977.db2.gz SNNQHVLMTZNLRH-QWRGUYRKSA-N 2 2 282.344 -0.850 20 0 CBADLP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1)C(N)=O ZINC001441389365 911661546 /nfs/dbraw/zinc/66/15/46/911661546.db2.gz UYDSTBVFMNFGRR-FBIMIBRVSA-N 2 2 279.344 -0.547 20 0 CBADLP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1)C(N)=O ZINC001441389365 911661552 /nfs/dbraw/zinc/66/15/52/911661552.db2.gz UYDSTBVFMNFGRR-FBIMIBRVSA-N 2 2 279.344 -0.547 20 0 CBADLP C[C@@H]([NH2+][C@@H]1C[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1)C(N)=O ZINC001441523336 911692096 /nfs/dbraw/zinc/69/20/96/911692096.db2.gz HQLZKKMWCDYBNB-ZRUFSTJUSA-N 2 2 293.371 -0.301 20 0 CBADLP C[C@@H]([NH2+][C@@H]1C[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1)C(N)=O ZINC001441523336 911692112 /nfs/dbraw/zinc/69/21/12/911692112.db2.gz HQLZKKMWCDYBNB-ZRUFSTJUSA-N 2 2 293.371 -0.301 20 0 CBADLP C[C@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)[NH2+]CC(=O)N(C)C ZINC001441616217 911715617 /nfs/dbraw/zinc/71/56/17/911715617.db2.gz XYWMTKSTGOVKJL-SNVBAGLBSA-N 2 2 281.360 -0.523 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001441623658 911718054 /nfs/dbraw/zinc/71/80/54/911718054.db2.gz HGAAEGGGZRXIBK-GXSJLCMTSA-N 2 2 295.387 -0.168 20 0 CBADLP Cn1ccc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001441677928 911740634 /nfs/dbraw/zinc/74/06/34/911740634.db2.gz GRVWYVVJDGBXRO-CHWSQXEVSA-N 2 2 295.387 -0.919 20 0 CBADLP Cn1ccc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001441677928 911740641 /nfs/dbraw/zinc/74/06/41/911740641.db2.gz GRVWYVVJDGBXRO-CHWSQXEVSA-N 2 2 295.387 -0.919 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)NC[C@H](CO)[NH2+]C/C=C/Cl)C1 ZINC001441693451 911751514 /nfs/dbraw/zinc/75/15/14/911751514.db2.gz GUGKLRFFPDAXEZ-NTYHVHHESA-N 2 2 291.779 -0.864 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)NC[C@H](CO)[NH2+]C/C=C/Cl)C1 ZINC001441693451 911751523 /nfs/dbraw/zinc/75/15/23/911751523.db2.gz GUGKLRFFPDAXEZ-NTYHVHHESA-N 2 2 291.779 -0.864 20 0 CBADLP CCC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001441720759 911765862 /nfs/dbraw/zinc/76/58/62/911765862.db2.gz NIFSLYXTYPUMOC-NEPJUHHUSA-N 2 2 280.372 -0.078 20 0 CBADLP CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc1nccn1C)[NH+](C)C ZINC001441754100 911781852 /nfs/dbraw/zinc/78/18/52/911781852.db2.gz QMQDWADPGQXPSF-RYUDHWBXSA-N 2 2 297.403 -0.673 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H](CO)[NH2+]C[C@H]1CCOC1 ZINC001441765554 911786939 /nfs/dbraw/zinc/78/69/39/911786939.db2.gz NIYAYKBTUMFEDI-MNOVXSKESA-N 2 2 282.344 -0.945 20 0 CBADLP CNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001441833990 911831450 /nfs/dbraw/zinc/83/14/50/911831450.db2.gz HYCGHVZRQNDFHN-KOLCDFICSA-N 2 2 279.344 -0.723 20 0 CBADLP C[C@@H](O)C[NH2+]C[C@@H](O)CN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001441975740 911877811 /nfs/dbraw/zinc/87/78/11/911877811.db2.gz BLHYUHXHHWZLFT-ZYHUDNBSSA-N 2 2 284.360 -0.868 20 0 CBADLP C[C@@H](O)C[NH2+]C[C@@H](O)CN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001441975740 911877815 /nfs/dbraw/zinc/87/78/15/911877815.db2.gz BLHYUHXHHWZLFT-ZYHUDNBSSA-N 2 2 284.360 -0.868 20 0 CBADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@H](C)C(=O)NC1CC1 ZINC001441982199 911880412 /nfs/dbraw/zinc/88/04/12/911880412.db2.gz JNKRRFHUEBEQPV-NXEZZACHSA-N 2 2 293.371 -0.286 20 0 CBADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@@H]1CCCNC1=O ZINC001441978977 911882369 /nfs/dbraw/zinc/88/23/69/911882369.db2.gz YJBWXADRIXRZEY-GXSJLCMTSA-N 2 2 279.344 -0.675 20 0 CBADLP C[C@@H]([NH2+][C@@H](C)CNC(=O)CCCn1cc[nH+]c1)C(N)=O ZINC001442060001 911912743 /nfs/dbraw/zinc/91/27/43/911912743.db2.gz MMAZVCFGAHIJBK-WDEREUQCSA-N 2 2 281.360 -0.369 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001442087194 911929082 /nfs/dbraw/zinc/92/90/82/911929082.db2.gz BXAJGCSKDZNFBL-GFCCVEGCSA-N 2 2 284.360 -0.719 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001442087194 911929094 /nfs/dbraw/zinc/92/90/94/911929094.db2.gz BXAJGCSKDZNFBL-GFCCVEGCSA-N 2 2 284.360 -0.719 20 0 CBADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001442152925 911938290 /nfs/dbraw/zinc/93/82/90/911938290.db2.gz OGBKPMFWDJEWJS-QWRGUYRKSA-N 2 2 293.371 -0.488 20 0 CBADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001442152925 911938296 /nfs/dbraw/zinc/93/82/96/911938296.db2.gz OGBKPMFWDJEWJS-QWRGUYRKSA-N 2 2 293.371 -0.488 20 0 CBADLP C[NH+](CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)CC(N)=O ZINC001442433233 912014321 /nfs/dbraw/zinc/01/43/21/912014321.db2.gz OWDHWTVCEQUNSZ-RYUDHWBXSA-N 2 2 282.388 -0.463 20 0 CBADLP C[N@H+](CCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)CC(N)=O ZINC001442433233 912014286 /nfs/dbraw/zinc/01/42/86/912014286.db2.gz OWDHWTVCEQUNSZ-RYUDHWBXSA-N 2 2 282.388 -0.463 20 0 CBADLP C[N@@H+](CCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)CC(N)=O ZINC001442433233 912014304 /nfs/dbraw/zinc/01/43/04/912014304.db2.gz OWDHWTVCEQUNSZ-RYUDHWBXSA-N 2 2 282.388 -0.463 20 0 CBADLP C[NH+](CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21)CC(N)=O ZINC001442433233 912014340 /nfs/dbraw/zinc/01/43/40/912014340.db2.gz OWDHWTVCEQUNSZ-RYUDHWBXSA-N 2 2 282.388 -0.463 20 0 CBADLP CC[C@H]([NH2+]CCN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C(N)=O ZINC001443081284 912148623 /nfs/dbraw/zinc/14/86/23/912148623.db2.gz SLIPCXCZACOACP-JQWIXIFHSA-N 2 2 295.387 -0.100 20 0 CBADLP CC[C@H]([NH2+]CCN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C(N)=O ZINC001443081284 912148630 /nfs/dbraw/zinc/14/86/30/912148630.db2.gz SLIPCXCZACOACP-JQWIXIFHSA-N 2 2 295.387 -0.100 20 0 CBADLP CC(C)[NH2+][C@H](CO)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001507210757 921744143 /nfs/dbraw/zinc/74/41/43/921744143.db2.gz DOSMLBWQVUJETD-RYUDHWBXSA-N 2 2 280.372 -0.079 20 0 CBADLP Cc1nnc([C@H](C)[NH2+][C@@H](CO)CNC(=O)CC[NH+](C)C)[nH]1 ZINC001507232066 921765319 /nfs/dbraw/zinc/76/53/19/921765319.db2.gz LGWHMRKTRWTDPN-GXSJLCMTSA-N 2 2 298.391 -0.807 20 0 CBADLP C[C@H]1CC[N@H+](CC(=O)NC[C@H](CO)[NH2+]Cc2ccon2)C1 ZINC001507234337 921767789 /nfs/dbraw/zinc/76/77/89/921767789.db2.gz XIRCTHODWCTBDW-WCQYABFASA-N 2 2 296.371 -0.417 20 0 CBADLP C[C@H]1CC[N@@H+](CC(=O)NC[C@H](CO)[NH2+]Cc2ccon2)C1 ZINC001507234337 921767798 /nfs/dbraw/zinc/76/77/98/921767798.db2.gz XIRCTHODWCTBDW-WCQYABFASA-N 2 2 296.371 -0.417 20 0 CBADLP C[NH+](C)CCC(=O)NC[C@@H](CO)[NH2+]Cc1cscn1 ZINC001507232821 921768294 /nfs/dbraw/zinc/76/82/94/921768294.db2.gz QQAWGMKXNRDNRY-JTQLQIEISA-N 2 2 286.401 -0.339 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001470006447 915438619 /nfs/dbraw/zinc/43/86/19/915438619.db2.gz KSUPUFCAHGSBKF-MNOVXSKESA-N 2 2 270.377 -0.893 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001470006447 915438636 /nfs/dbraw/zinc/43/86/36/915438636.db2.gz KSUPUFCAHGSBKF-MNOVXSKESA-N 2 2 270.377 -0.893 20 0 CBADLP COC[C@@H](C)[NH2+][C@H](CO)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001507240413 921771300 /nfs/dbraw/zinc/77/13/00/921771300.db2.gz OLRVWAWXRWBVSJ-KOLCDFICSA-N 2 2 270.333 -0.946 20 0 CBADLP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001470239557 915460141 /nfs/dbraw/zinc/46/01/41/915460141.db2.gz OFKUPASKKLPODY-NSHDSACASA-N 2 2 279.344 -0.592 20 0 CBADLP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001470239557 915460147 /nfs/dbraw/zinc/46/01/47/915460147.db2.gz OFKUPASKKLPODY-NSHDSACASA-N 2 2 279.344 -0.592 20 0 CBADLP Cn1c[nH+]c(CCNC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)c1 ZINC001472575460 915752670 /nfs/dbraw/zinc/75/26/70/915752670.db2.gz BUZYNKFPTCIHCL-ZDUSSCGKSA-N 2 2 277.372 -0.531 20 0 CBADLP Cn1c[nH+]c(CCNC(=O)[C@@H]2C[N@H+]3CCN2CCC3)c1 ZINC001472575460 915752680 /nfs/dbraw/zinc/75/26/80/915752680.db2.gz BUZYNKFPTCIHCL-ZDUSSCGKSA-N 2 2 277.372 -0.531 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@@H](CO)[NH2+]C/C=C/Cl ZINC001507268999 921796057 /nfs/dbraw/zinc/79/60/57/921796057.db2.gz WCQFLSNHYGZANM-YOLVWIGZSA-N 2 2 272.736 -0.298 20 0 CBADLP Cn1nncc1C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC001473995623 915879386 /nfs/dbraw/zinc/87/93/86/915879386.db2.gz IQJKIRJUQZPVKX-ZDUSSCGKSA-N 2 2 294.403 -0.689 20 0 CBADLP Cn1nccc1C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC001473995972 915880251 /nfs/dbraw/zinc/88/02/51/915880251.db2.gz MXQPGEIDEOCBLU-CQSZACIVSA-N 2 2 293.415 -0.084 20 0 CBADLP CC[N@H+](C)CCC(=O)N(C)C[C@H]1CC[NH+]1[C@H]1CCNC1=O ZINC001479256089 916106821 /nfs/dbraw/zinc/10/68/21/916106821.db2.gz MWJVHKMCPRCJDX-OLZOCXBDSA-N 2 2 296.415 -0.251 20 0 CBADLP CC[N@@H+](C)CCC(=O)N(C)C[C@H]1CC[NH+]1[C@H]1CCNC1=O ZINC001479256089 916106830 /nfs/dbraw/zinc/10/68/30/916106830.db2.gz MWJVHKMCPRCJDX-OLZOCXBDSA-N 2 2 296.415 -0.251 20 0 CBADLP CC[NH+](C)CCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@H]1CCNC1=O ZINC001479256089 916106840 /nfs/dbraw/zinc/10/68/40/916106840.db2.gz MWJVHKMCPRCJDX-OLZOCXBDSA-N 2 2 296.415 -0.251 20 0 CBADLP CC[NH+](C)CCC(=O)N(C)C[C@H]1CC[N@H+]1[C@H]1CCNC1=O ZINC001479256089 916106849 /nfs/dbraw/zinc/10/68/49/916106849.db2.gz MWJVHKMCPRCJDX-OLZOCXBDSA-N 2 2 296.415 -0.251 20 0 CBADLP C[C@@H](CC(=O)NC[C@H]1C[C@@H]([NH2+]CC(N)=O)C1)n1cc[nH+]c1 ZINC001479330003 916119772 /nfs/dbraw/zinc/11/97/72/916119772.db2.gz ZBMORDTXPZRKLA-SDDRHHMPSA-N 2 2 293.371 -0.196 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)N[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001480207638 916331138 /nfs/dbraw/zinc/33/11/38/916331138.db2.gz LXXAUKZEJOHUGP-GRYCIOLGSA-N 2 2 291.355 -0.532 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)N[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001480207638 916331160 /nfs/dbraw/zinc/33/11/60/916331160.db2.gz LXXAUKZEJOHUGP-GRYCIOLGSA-N 2 2 291.355 -0.532 20 0 CBADLP C[C@H](CC(=O)N[C@@H]1C[C@H]([NH2+][C@@H](C)C(N)=O)C1)n1cc[nH+]c1 ZINC001480226205 916337898 /nfs/dbraw/zinc/33/78/98/916337898.db2.gz NPQYHENFMZGZMC-KXNHARMFSA-N 2 2 293.371 -0.055 20 0 CBADLP CNC(=O)C[NH2+][C@H](C)CNC(=O)c1cccc2[nH+]ccn21 ZINC001480504337 916446149 /nfs/dbraw/zinc/44/61/49/916446149.db2.gz ZGXRHYFAGGTIDU-SNVBAGLBSA-N 2 2 289.339 -0.212 20 0 CBADLP CC[NH2+][C@H](C)CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001480507356 916446989 /nfs/dbraw/zinc/44/69/89/916446989.db2.gz MCTBJGGEXSLBHQ-MCIONIFRSA-N 2 2 299.415 -0.020 20 0 CBADLP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1nc(N(C)C)no1 ZINC001480531280 916461406 /nfs/dbraw/zinc/46/14/06/916461406.db2.gz XDOLBTPJZMKAQL-SNVBAGLBSA-N 2 2 298.391 -0.318 20 0 CBADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CC(=O)N(C)C1CC1 ZINC001480542475 916465300 /nfs/dbraw/zinc/46/53/00/916465300.db2.gz MEWQSHCLMOEIIC-SNVBAGLBSA-N 2 2 293.371 -0.333 20 0 CBADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CCn1cccn1 ZINC001480562772 916472772 /nfs/dbraw/zinc/47/27/72/916472772.db2.gz UYZIFBNYTPKZCV-LLVKDONJSA-N 2 2 276.344 -0.057 20 0 CBADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1ccnn1C ZINC001480603408 916490459 /nfs/dbraw/zinc/49/04/59/916490459.db2.gz IGBWPJAESIONBU-NSHDSACASA-N 2 2 276.344 -0.089 20 0 CBADLP CCn1nncc1C[NH2+][C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001480605016 916490531 /nfs/dbraw/zinc/49/05/31/916490531.db2.gz UESFRPBJSPBBRQ-LLVKDONJSA-N 2 2 291.359 -0.211 20 0 CBADLP CCn1nncc1C[NH2+][C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001480605017 916493169 /nfs/dbraw/zinc/49/31/69/916493169.db2.gz UESFRPBJSPBBRQ-NSHDSACASA-N 2 2 291.359 -0.211 20 0 CBADLP O=C([C@H]1CCn2c[nH+]cc2C1)N1CC[C@@H](C[NH2+]CCO)C1 ZINC001480650841 916511258 /nfs/dbraw/zinc/51/12/58/916511258.db2.gz GBGPDKKZVBRFLK-STQMWFEESA-N 2 2 292.383 -0.124 20 0 CBADLP C[C@H](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]Cc1cnon1 ZINC001480758197 916530259 /nfs/dbraw/zinc/53/02/59/916530259.db2.gz LJEYUFAPGICPMR-PWSUYJOCSA-N 2 2 297.359 -0.615 20 0 CBADLP C[C@H](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]Cc1cnon1 ZINC001480758197 916530265 /nfs/dbraw/zinc/53/02/65/916530265.db2.gz LJEYUFAPGICPMR-PWSUYJOCSA-N 2 2 297.359 -0.615 20 0 CBADLP C[C@H](O)C[N@H+](C)CCNC(=O)Cc1c[nH+]cn1C ZINC001480934778 916647023 /nfs/dbraw/zinc/64/70/23/916647023.db2.gz GMTIBCSOAWTJJE-JTQLQIEISA-N 2 2 254.334 -0.609 20 0 CBADLP C[C@H](O)C[N@@H+](C)CCNC(=O)Cc1c[nH+]cn1C ZINC001480934778 916647035 /nfs/dbraw/zinc/64/70/35/916647035.db2.gz GMTIBCSOAWTJJE-JTQLQIEISA-N 2 2 254.334 -0.609 20 0 CBADLP CNC(=O)C[N@H+](C)CCNC(=O)CC[NH+]1CCCCC1 ZINC001480950342 916648782 /nfs/dbraw/zinc/64/87/82/916648782.db2.gz HUXGGPVVTGYRAQ-UHFFFAOYSA-N 2 2 284.404 -0.344 20 0 CBADLP CNC(=O)C[N@@H+](C)CCNC(=O)CC[NH+]1CCCCC1 ZINC001480950342 916648787 /nfs/dbraw/zinc/64/87/87/916648787.db2.gz HUXGGPVVTGYRAQ-UHFFFAOYSA-N 2 2 284.404 -0.344 20 0 CBADLP CC(C)N(C)C(=O)C[N@H+](C)CCNC(=O)C[NH+]1CCCC1 ZINC001480947230 916652291 /nfs/dbraw/zinc/65/22/91/916652291.db2.gz NIZZIQOEHAVPHY-UHFFFAOYSA-N 2 2 298.431 -0.003 20 0 CBADLP CC(C)N(C)C(=O)C[N@@H+](C)CCNC(=O)C[NH+]1CCCC1 ZINC001480947230 916652303 /nfs/dbraw/zinc/65/23/03/916652303.db2.gz NIZZIQOEHAVPHY-UHFFFAOYSA-N 2 2 298.431 -0.003 20 0 CBADLP CC[N@H+](CCNC(=O)C(C)(C)[NH+]1CCCC1)CC(N)=O ZINC001480991329 916675312 /nfs/dbraw/zinc/67/53/12/916675312.db2.gz DAKDOOUJDVWMHY-UHFFFAOYSA-N 2 2 284.404 -0.216 20 0 CBADLP CC[N@@H+](CCNC(=O)C(C)(C)[NH+]1CCCC1)CC(N)=O ZINC001480991329 916675317 /nfs/dbraw/zinc/67/53/17/916675317.db2.gz DAKDOOUJDVWMHY-UHFFFAOYSA-N 2 2 284.404 -0.216 20 0 CBADLP CC[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1CC)CC(N)=O ZINC001481019576 916686564 /nfs/dbraw/zinc/68/65/64/916686564.db2.gz XSEUGXDOPDMDLZ-LBPRGKRZSA-N 2 2 284.404 -0.216 20 0 CBADLP CC[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1CC)CC(N)=O ZINC001481019576 916686571 /nfs/dbraw/zinc/68/65/71/916686571.db2.gz XSEUGXDOPDMDLZ-LBPRGKRZSA-N 2 2 284.404 -0.216 20 0 CBADLP CC[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1CC)CC(N)=O ZINC001481019576 916686578 /nfs/dbraw/zinc/68/65/78/916686578.db2.gz XSEUGXDOPDMDLZ-LBPRGKRZSA-N 2 2 284.404 -0.216 20 0 CBADLP CC[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1CC)CC(N)=O ZINC001481019576 916686585 /nfs/dbraw/zinc/68/65/85/916686585.db2.gz XSEUGXDOPDMDLZ-LBPRGKRZSA-N 2 2 284.404 -0.216 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001481125163 916724562 /nfs/dbraw/zinc/72/45/62/916724562.db2.gz ATZYYAVPUDCDHB-RYUDHWBXSA-N 2 2 291.355 -0.790 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001481125163 916724576 /nfs/dbraw/zinc/72/45/76/916724576.db2.gz ATZYYAVPUDCDHB-RYUDHWBXSA-N 2 2 291.355 -0.790 20 0 CBADLP CN(CC[NH2+]CCO)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001481250562 916788735 /nfs/dbraw/zinc/78/87/35/916788735.db2.gz OLQMNZMIXVSVCK-LLVKDONJSA-N 2 2 266.345 -0.514 20 0 CBADLP C[C@@H](O)C[NH2+]CCN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001481248148 916789917 /nfs/dbraw/zinc/78/99/17/916789917.db2.gz NGWADBVEIDDGRW-VXGBXAGGSA-N 2 2 280.372 -0.126 20 0 CBADLP CCOCC[NH+]1CC(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001481601578 916902230 /nfs/dbraw/zinc/90/22/30/916902230.db2.gz BBVNASVDSSZSMF-NSHDSACASA-N 2 2 255.362 -0.225 20 0 CBADLP CCOCC[NH+]1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001481601578 916902239 /nfs/dbraw/zinc/90/22/39/916902239.db2.gz BBVNASVDSSZSMF-NSHDSACASA-N 2 2 255.362 -0.225 20 0 CBADLP CC[C@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)[NH2+]CCO ZINC001481825955 916998485 /nfs/dbraw/zinc/99/84/85/916998485.db2.gz MEJQSSMKJJNXCK-NWDGAFQWSA-N 2 2 280.372 -0.078 20 0 CBADLP COCC[NH2+]CC1(NC(=O)[C@@H]2C[N@H+](C)CCO2)CCCC1 ZINC001481891231 917017466 /nfs/dbraw/zinc/01/74/66/917017466.db2.gz MXUJHWKUGSTJAS-ZDUSSCGKSA-N 2 2 299.415 -0.018 20 0 CBADLP COCC[NH2+]CC1(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CCCC1 ZINC001481891231 917017474 /nfs/dbraw/zinc/01/74/74/917017474.db2.gz MXUJHWKUGSTJAS-ZDUSSCGKSA-N 2 2 299.415 -0.018 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)C[NH2+][C@H]1CCNC1=O ZINC001482163699 917070377 /nfs/dbraw/zinc/07/03/77/917070377.db2.gz OCAFSGHUKVSVML-KOLCDFICSA-N 2 2 293.371 -0.509 20 0 CBADLP C[C@@H](O)C[NH2+]C[C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001482176463 917074217 /nfs/dbraw/zinc/07/42/17/917074217.db2.gz UNOZIAVAFNKHOO-GHMZBOCLSA-N 2 2 254.334 -0.394 20 0 CBADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+]Cc1cnn(C)n1 ZINC001482173821 917075954 /nfs/dbraw/zinc/07/59/54/917075954.db2.gz AWGBFNIBFZLXGJ-NSHDSACASA-N 2 2 291.359 -0.446 20 0 CBADLP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CCCO)CCO1 ZINC001482204762 917091287 /nfs/dbraw/zinc/09/12/87/917091287.db2.gz HHHKTKRNTCOONN-CYBMUJFWSA-N 2 2 287.404 -0.472 20 0 CBADLP CCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](CCCO)CCO1 ZINC001482204762 917091296 /nfs/dbraw/zinc/09/12/96/917091296.db2.gz HHHKTKRNTCOONN-CYBMUJFWSA-N 2 2 287.404 -0.472 20 0 CBADLP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@H+](CCCO)CCO1 ZINC001482204762 917091304 /nfs/dbraw/zinc/09/13/04/917091304.db2.gz HHHKTKRNTCOONN-CYBMUJFWSA-N 2 2 287.404 -0.472 20 0 CBADLP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](CCCO)CCO1 ZINC001482204762 917091313 /nfs/dbraw/zinc/09/13/13/917091313.db2.gz HHHKTKRNTCOONN-CYBMUJFWSA-N 2 2 287.404 -0.472 20 0 CBADLP C[C@H](CC[NH2+]CCn1cncn1)NC(=O)Cn1cc[nH+]c1 ZINC001482904394 917327262 /nfs/dbraw/zinc/32/72/62/917327262.db2.gz GROVOELOISTPDD-GFCCVEGCSA-N 2 2 291.359 -0.341 20 0 CBADLP C[C@H](CC[NH2+][C@H](C)C(=O)N(C)C)NC(=O)Cn1cc[nH+]c1 ZINC001482906517 917328429 /nfs/dbraw/zinc/32/84/29/917328429.db2.gz ZWKXWPNYANJRQP-VXGBXAGGSA-N 2 2 295.387 -0.156 20 0 CBADLP C[C@H](CC[NH2+][C@@H]1CCCNC1=O)NC(=O)Cn1cc[nH+]c1 ZINC001482906487 917329783 /nfs/dbraw/zinc/32/97/83/917329783.db2.gz ZKVSLZDJPJEJHQ-VXGBXAGGSA-N 2 2 293.371 -0.354 20 0 CBADLP CCN(CC[NH2+]CC(N)=O)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001482934439 917344128 /nfs/dbraw/zinc/34/41/28/917344128.db2.gz DBJHBVQUYZXQOZ-NSHDSACASA-N 2 2 293.371 -0.631 20 0 CBADLP O=C(CCn1cc[nH+]c1)NC/C=C\C[NH2+][C@H]1CCNC1=O ZINC001483046938 917386453 /nfs/dbraw/zinc/38/64/53/917386453.db2.gz UHQTZJCCINDGAA-BIOMNHJASA-N 2 2 291.355 -0.576 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC/C=C\C[NH2+][C@@H]1CCNC1=O ZINC001483065999 917396123 /nfs/dbraw/zinc/39/61/23/917396123.db2.gz YOQRKNXFKLRJJZ-RFMOXSJOSA-N 2 2 277.328 -0.897 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]C/C=C/CNC(=O)Cc1c[nH]c[nH+]1 ZINC001483065699 917396977 /nfs/dbraw/zinc/39/69/77/917396977.db2.gz VWIUIPRVNXPUNN-HMDXOVGESA-N 2 2 279.344 -0.651 20 0 CBADLP CCNC(=O)C[NH2+]C/C=C\CNC(=O)Cc1[nH]cc[nH+]1 ZINC001483075813 917398933 /nfs/dbraw/zinc/39/89/33/917398933.db2.gz AXNXXJAPBFYMQK-ARJAWSKDSA-N 2 2 279.344 -0.650 20 0 CBADLP Cn1ncnc1C[NH2+]C/C=C/CNC(=O)C[NH+]1CCCC1 ZINC001483093109 917405511 /nfs/dbraw/zinc/40/55/11/917405511.db2.gz NKFCPMGTWXAQIN-NSCUHMNNSA-N 2 2 292.387 -0.327 20 0 CBADLP C[C@H](C[NH2+]Cc1nccn1C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001483118553 917416751 /nfs/dbraw/zinc/41/67/51/917416751.db2.gz XWBBUOQGQARKPA-VXGBXAGGSA-N 2 2 295.387 -0.655 20 0 CBADLP C[C@H](C[NH2+]Cc1nccn1C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001483118553 917416758 /nfs/dbraw/zinc/41/67/58/917416758.db2.gz XWBBUOQGQARKPA-VXGBXAGGSA-N 2 2 295.387 -0.655 20 0 CBADLP C[C@H](C[NH2+]CC(=O)N1CCC1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001483179130 917452374 /nfs/dbraw/zinc/45/23/74/917452374.db2.gz QTXHUSUBIUDLBQ-SNVBAGLBSA-N 2 2 279.344 -0.721 20 0 CBADLP C[C@H](C[NH2+]Cc1ccnn1C)NC(=O)Cc1c[nH+]cn1C ZINC001483184952 917456763 /nfs/dbraw/zinc/45/67/63/917456763.db2.gz YDBISYSZEUDCQX-LLVKDONJSA-N 2 2 290.371 -0.009 20 0 CBADLP C[C@@H](C[NH2+]CC(N)=O)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001483242020 917490523 /nfs/dbraw/zinc/49/05/23/917490523.db2.gz AEDHHUSCXWYNPE-UWVGGRQHSA-N 2 2 279.344 -0.975 20 0 CBADLP CCC[N@H+](C)CC(=O)N[C@@H](C)C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001483285995 917505736 /nfs/dbraw/zinc/50/57/36/917505736.db2.gz OUXCSSPBYKLGQB-JTQLQIEISA-N 2 2 298.391 -0.956 20 0 CBADLP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001483285995 917505746 /nfs/dbraw/zinc/50/57/46/917505746.db2.gz OUXCSSPBYKLGQB-JTQLQIEISA-N 2 2 298.391 -0.956 20 0 CBADLP CC[C@H](C(N)=O)[N@H+](C)C[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001483407434 917557890 /nfs/dbraw/zinc/55/78/90/917557890.db2.gz LUPKXEKEHINYSR-CMPLNLGQSA-N 2 2 295.387 -0.337 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+](C)C[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001483407434 917557907 /nfs/dbraw/zinc/55/79/07/917557907.db2.gz LUPKXEKEHINYSR-CMPLNLGQSA-N 2 2 295.387 -0.337 20 0 CBADLP C[C@H]([NH2+]CCCN(C)C(=O)CCc1c[nH]c[nH+]1)C(N)=O ZINC001483472600 917575491 /nfs/dbraw/zinc/57/54/91/917575491.db2.gz XGEXPONVMCRZCC-JTQLQIEISA-N 2 2 281.360 -0.346 20 0 CBADLP C[C@H]([NH2+]CCCN(C)C(=O)CCc1c[nH+]c[nH]1)C(N)=O ZINC001483472600 917575500 /nfs/dbraw/zinc/57/55/00/917575500.db2.gz XGEXPONVMCRZCC-JTQLQIEISA-N 2 2 281.360 -0.346 20 0 CBADLP CC(C)N(C)C(=O)C[N@@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001483676406 917632072 /nfs/dbraw/zinc/63/20/72/917632072.db2.gz KBXUBKBKPZHNRM-CYBMUJFWSA-N 2 2 298.431 -0.005 20 0 CBADLP CC(C)N(C)C(=O)C[N@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001483676406 917632081 /nfs/dbraw/zinc/63/20/81/917632081.db2.gz KBXUBKBKPZHNRM-CYBMUJFWSA-N 2 2 298.431 -0.005 20 0 CBADLP C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001483675580 917632397 /nfs/dbraw/zinc/63/23/97/917632397.db2.gz FVGSCCQIMIOUGH-QWHCGFSZSA-N 2 2 298.431 -0.005 20 0 CBADLP C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001483675580 917632407 /nfs/dbraw/zinc/63/24/07/917632407.db2.gz FVGSCCQIMIOUGH-QWHCGFSZSA-N 2 2 298.431 -0.005 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N(C)C1C[NH+](CCO)C1 ZINC001483890867 917699682 /nfs/dbraw/zinc/69/96/82/917699682.db2.gz KUDKFJMMMNCBNV-LBPRGKRZSA-N 2 2 285.388 -0.910 20 0 CBADLP CCC[N@H+](C)CCC(=O)N(C)C1C[NH+](CCO)C1 ZINC001483888638 917700422 /nfs/dbraw/zinc/70/04/22/917700422.db2.gz DEUSDDONWIMAJZ-UHFFFAOYSA-N 2 2 257.378 -0.147 20 0 CBADLP CCC[N@@H+](C)CCC(=O)N(C)C1C[NH+](CCO)C1 ZINC001483888638 917700431 /nfs/dbraw/zinc/70/04/31/917700431.db2.gz DEUSDDONWIMAJZ-UHFFFAOYSA-N 2 2 257.378 -0.147 20 0 CBADLP C[C@@H]([NH2+]C[C@]1(C)CCN(C(=O)Cc2[nH]cc[nH+]2)C1)C(N)=O ZINC001484118802 917740113 /nfs/dbraw/zinc/74/01/13/917740113.db2.gz HMSJGKPEDWSURS-YGRLFVJLSA-N 2 2 293.371 -0.346 20 0 CBADLP CC[N@@H+]1CC[C@@](O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001484239555 917783901 /nfs/dbraw/zinc/78/39/01/917783901.db2.gz AHKODPQMJMDSGB-GFCCVEGCSA-N 2 2 252.318 -0.475 20 0 CBADLP CC[N@H+]1CC[C@@](O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001484239555 917783919 /nfs/dbraw/zinc/78/39/19/917783919.db2.gz AHKODPQMJMDSGB-GFCCVEGCSA-N 2 2 252.318 -0.475 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@]1(O)CC[N@H+](CC2CC2)C1 ZINC001484243519 917784692 /nfs/dbraw/zinc/78/46/92/917784692.db2.gz XYUATUDZCTYOHE-AWEZNQCLSA-N 2 2 278.356 -0.085 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@]1(O)CC[N@@H+](CC2CC2)C1 ZINC001484243519 917784701 /nfs/dbraw/zinc/78/47/01/917784701.db2.gz XYUATUDZCTYOHE-AWEZNQCLSA-N 2 2 278.356 -0.085 20 0 CBADLP C[C@H](F)CC[NH+]1CC(O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001484309440 917827869 /nfs/dbraw/zinc/82/78/69/917827869.db2.gz BFYQAVBOCVAPCU-LBPRGKRZSA-N 2 2 287.379 -0.007 20 0 CBADLP C[C@H](O)C[NH+]1CC(O)(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001484311794 917828729 /nfs/dbraw/zinc/82/87/29/917828729.db2.gz LJLPSHHZDRNWSL-ZDUSSCGKSA-N 2 2 299.415 -0.594 20 0 CBADLP C[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C[NH2+]CCCO ZINC001484385958 917835031 /nfs/dbraw/zinc/83/50/31/917835031.db2.gz SYVJLTJZNCDQJQ-STQMWFEESA-N 2 2 280.372 -0.050 20 0 CBADLP C[C@H](O)C[N@@H+]1CCOC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001484602307 917896208 /nfs/dbraw/zinc/89/62/08/917896208.db2.gz YELWMHDLDHSXGX-QWHCGFSZSA-N 2 2 287.404 -0.474 20 0 CBADLP C[C@H](O)C[N@H+]1CCOC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001484602307 917896219 /nfs/dbraw/zinc/89/62/19/917896219.db2.gz YELWMHDLDHSXGX-QWHCGFSZSA-N 2 2 287.404 -0.474 20 0 CBADLP CNC(=O)C[NH2+]C1(CNC(=O)Cc2[nH]c[nH+]c2C)CCC1 ZINC001484660005 917908229 /nfs/dbraw/zinc/90/82/29/917908229.db2.gz OKRQUSIBUMVTRV-UHFFFAOYSA-N 2 2 293.371 -0.365 20 0 CBADLP C[C@H](O)C[NH+]1CC2(C1)C[C@H](NC(=O)CC[NH+](C)C)CO2 ZINC001484801268 917939996 /nfs/dbraw/zinc/93/99/96/917939996.db2.gz NEQNPBKXSCETHU-RYUDHWBXSA-N 2 2 285.388 -0.722 20 0 CBADLP C[C@H](O)C[NH2+][C@@]1(CO)CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001484851781 917946259 /nfs/dbraw/zinc/94/62/59/917946259.db2.gz UJIJZZWPFMCFOX-FZMZJTMJSA-N 2 2 296.371 -0.724 20 0 CBADLP C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@@H](C)[NH2+]CC(=O)N1CCC1 ZINC001485206964 918027542 /nfs/dbraw/zinc/02/75/42/918027542.db2.gz SFELQRZEYLKPHE-GHMZBOCLSA-N 2 2 293.371 -0.333 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[N@H+](C)CCO ZINC001485351941 918089550 /nfs/dbraw/zinc/08/95/50/918089550.db2.gz IGGUCVSXLHFPDC-IJLUTSLNSA-N 2 2 280.372 -0.048 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[N@@H+](C)CCO ZINC001485351941 918089554 /nfs/dbraw/zinc/08/95/54/918089554.db2.gz IGGUCVSXLHFPDC-IJLUTSLNSA-N 2 2 280.372 -0.048 20 0 CBADLP CC[C@@H](C(=O)NC1(CCO)C[NH+](CC)C1)[NH+](C)C ZINC001485418691 918117778 /nfs/dbraw/zinc/11/77/78/918117778.db2.gz FHQWAZOESXBCIV-NSHDSACASA-N 2 2 257.378 -0.101 20 0 CBADLP CC[NH+]1CC(CCO)(NC(=O)C[NH+]2CCCC2)C1 ZINC001485424825 918122549 /nfs/dbraw/zinc/12/25/49/918122549.db2.gz VKSHFAPFTOGKGT-UHFFFAOYSA-N 2 2 255.362 -0.345 20 0 CBADLP COCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3c[nH+]cn3C)[C@@H]2C1 ZINC001485624222 918158062 /nfs/dbraw/zinc/15/80/62/918158062.db2.gz WBBYIFFAGCFTPT-ZSOGYDGISA-N 2 2 292.383 -0.097 20 0 CBADLP COCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3c[nH+]cn3C)[C@@H]2C1 ZINC001485624222 918158072 /nfs/dbraw/zinc/15/80/72/918158072.db2.gz WBBYIFFAGCFTPT-ZSOGYDGISA-N 2 2 292.383 -0.097 20 0 CBADLP C[C@H]([NH2+]C[C@H](C1CC1)N(C)C(=O)Cc1[nH]cc[nH+]1)C(N)=O ZINC001485830191 918200402 /nfs/dbraw/zinc/20/04/02/918200402.db2.gz AUPYPTOOLDMGTH-GXSJLCMTSA-N 2 2 293.371 -0.347 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]Cc1nccs1 ZINC001485981940 918269897 /nfs/dbraw/zinc/26/98/97/918269897.db2.gz HEIIXINLWONPGX-QWRGUYRKSA-N 2 2 298.412 -0.196 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]Cc1nccs1 ZINC001485981940 918269913 /nfs/dbraw/zinc/26/99/13/918269913.db2.gz HEIIXINLWONPGX-QWRGUYRKSA-N 2 2 298.412 -0.196 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H](CO)[NH2+]CCC(F)(F)F ZINC001486038912 918333944 /nfs/dbraw/zinc/33/39/44/918333944.db2.gz QQYQQJTVTNVDDM-SECBINFHSA-N 2 2 294.277 -0.029 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H](CO)[NH2+]CC[C@H]1CCOC1 ZINC001486049180 918344177 /nfs/dbraw/zinc/34/41/77/918344177.db2.gz YNKOBSWAQUNKDI-RYUDHWBXSA-N 2 2 296.371 -0.555 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@H](CO)[NH2+]C[C@@H]1CCCOC1 ZINC001486067059 918354729 /nfs/dbraw/zinc/35/47/29/918354729.db2.gz YNRIETGVCCOBBV-QWHCGFSZSA-N 2 2 296.371 -0.624 20 0 CBADLP CN(C[C@@H](O)C[NH2+]CCF)C(=O)CCc1c[nH]c[nH+]1 ZINC001486278105 918407911 /nfs/dbraw/zinc/40/79/11/918407911.db2.gz GAWZXRMKWAXVHU-NSHDSACASA-N 2 2 272.324 -0.279 20 0 CBADLP CN(C[C@@H](O)C[NH2+]CCF)C(=O)CCc1c[nH+]c[nH]1 ZINC001486278105 918407921 /nfs/dbraw/zinc/40/79/21/918407921.db2.gz GAWZXRMKWAXVHU-NSHDSACASA-N 2 2 272.324 -0.279 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N(CC[N@H+](C)CC(N)=O)C(C)C ZINC001486379437 918452787 /nfs/dbraw/zinc/45/27/87/918452787.db2.gz JHNHUPSGHDDMON-UHFFFAOYSA-N 2 2 295.387 -0.154 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N(CC[N@@H+](C)CC(N)=O)C(C)C ZINC001486379437 918452797 /nfs/dbraw/zinc/45/27/97/918452797.db2.gz JHNHUPSGHDDMON-UHFFFAOYSA-N 2 2 295.387 -0.154 20 0 CBADLP C[C@@H](C(N)=O)[N@H+](C)CCCNC(=O)CCc1c[nH+]cn1C ZINC001490274838 918884459 /nfs/dbraw/zinc/88/44/59/918884459.db2.gz CFQYTJZJDVKQTK-NSHDSACASA-N 2 2 295.387 -0.335 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+](C)CCCNC(=O)CCc1c[nH+]cn1C ZINC001490274838 918884481 /nfs/dbraw/zinc/88/44/81/918884481.db2.gz CFQYTJZJDVKQTK-NSHDSACASA-N 2 2 295.387 -0.335 20 0 CBADLP O=C(NC[C@H]([NH2+]CCO)C1CC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001490682290 918958928 /nfs/dbraw/zinc/95/89/28/918958928.db2.gz JCTZUWJDLAIGKF-OCCSQVGLSA-N 2 2 292.383 -0.078 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)N[C@H]1C[C@@H]([NH2+]CCCO)C1 ZINC001491040007 919010323 /nfs/dbraw/zinc/01/03/23/919010323.db2.gz MCMVYLKPGHORAI-TXEJJXNPSA-N 2 2 280.372 -0.028 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CCS(C)(=O)=O ZINC001491413626 919145229 /nfs/dbraw/zinc/14/52/29/919145229.db2.gz FWPLGOWNLUMCBK-MNOVXSKESA-N 2 2 291.417 -0.781 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]CCS(C)(=O)=O ZINC001491413626 919145239 /nfs/dbraw/zinc/14/52/39/919145239.db2.gz FWPLGOWNLUMCBK-MNOVXSKESA-N 2 2 291.417 -0.781 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001491591353 919219818 /nfs/dbraw/zinc/21/98/18/919219818.db2.gz VURPCUAIWNPPKT-DTWKUNHWSA-N 2 2 267.333 -0.819 20 0 CBADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CCS(C)(=O)=O ZINC001491624155 919235072 /nfs/dbraw/zinc/23/50/72/919235072.db2.gz JTQPELQDSRXPJP-VIFPVBQESA-N 2 2 288.373 -0.909 20 0 CBADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CCS(C)(=O)=O ZINC001491624152 919236844 /nfs/dbraw/zinc/23/68/44/919236844.db2.gz JTQPELQDSRXPJP-SECBINFHSA-N 2 2 288.373 -0.909 20 0 CBADLP C[C@H](O)C[NH2+]C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001491844530 919287772 /nfs/dbraw/zinc/28/77/72/919287772.db2.gz SJELPZOCLQPNMV-WDEREUQCSA-N 2 2 266.345 -0.229 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@H](C)CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001492035410 919316028 /nfs/dbraw/zinc/31/60/28/919316028.db2.gz GXJREQWBISNVRP-GHMZBOCLSA-N 2 2 295.387 -0.039 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@H](C)CCNC(=O)CCc1c[nH+]c[nH]1 ZINC001492035410 919316039 /nfs/dbraw/zinc/31/60/39/919316039.db2.gz GXJREQWBISNVRP-GHMZBOCLSA-N 2 2 295.387 -0.039 20 0 CBADLP C[C@H](CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1)[NH2+]CCO ZINC001492047396 919316227 /nfs/dbraw/zinc/31/62/27/919316227.db2.gz PIDKOZCSUMMOJM-VXGBXAGGSA-N 2 2 280.372 -0.078 20 0 CBADLP C[C@@H](CCNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@H]1CCNC1=O ZINC001492091731 919323295 /nfs/dbraw/zinc/32/32/95/919323295.db2.gz XHYJVNBOCVDXHW-ONGXEEELSA-N 2 2 279.344 -0.675 20 0 CBADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)[C@H](C)C(N)=O ZINC001492251385 919378935 /nfs/dbraw/zinc/37/89/35/919378935.db2.gz KGRYEIHGVYFAQI-VXGBXAGGSA-N 2 2 284.404 -0.219 20 0 CBADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)[C@H](C)C(N)=O ZINC001492251385 919378947 /nfs/dbraw/zinc/37/89/47/919378947.db2.gz KGRYEIHGVYFAQI-VXGBXAGGSA-N 2 2 284.404 -0.219 20 0 CBADLP CC(C)[NH+]1CCC[C@@H]1C(=O)NCC[N@H+](C)[C@H](C)C(N)=O ZINC001492251385 919378962 /nfs/dbraw/zinc/37/89/62/919378962.db2.gz KGRYEIHGVYFAQI-VXGBXAGGSA-N 2 2 284.404 -0.219 20 0 CBADLP CC(C)[NH+]1CCC[C@@H]1C(=O)NCC[N@@H+](C)[C@H](C)C(N)=O ZINC001492251385 919378977 /nfs/dbraw/zinc/37/89/77/919378977.db2.gz KGRYEIHGVYFAQI-VXGBXAGGSA-N 2 2 284.404 -0.219 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NCC[N@@H+](C)[C@H](C)C(N)=O ZINC001492856483 919438762 /nfs/dbraw/zinc/43/87/62/919438762.db2.gz BUZLDAQGZBDDHR-SECBINFHSA-N 2 2 267.333 -0.887 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NCC[N@H+](C)[C@H](C)C(N)=O ZINC001492856483 919438771 /nfs/dbraw/zinc/43/87/71/919438771.db2.gz BUZLDAQGZBDDHR-SECBINFHSA-N 2 2 267.333 -0.887 20 0 CBADLP Cn1cc(CC[N@H+](C)CCNC(=O)Cn2cc[nH+]c2)cn1 ZINC001492894703 919444439 /nfs/dbraw/zinc/44/44/39/919444439.db2.gz MIKKSQQFCDYQPI-UHFFFAOYSA-N 2 2 290.371 -0.093 20 0 CBADLP Cn1cc(CC[N@@H+](C)CCNC(=O)Cn2cc[nH+]c2)cn1 ZINC001492894703 919444450 /nfs/dbraw/zinc/44/44/50/919444450.db2.gz MIKKSQQFCDYQPI-UHFFFAOYSA-N 2 2 290.371 -0.093 20 0 CBADLP CC[N@H+](CCNC(=O)Cn1cc[nH+]c1C)[C@H]1CCNC1=O ZINC001493059090 919474470 /nfs/dbraw/zinc/47/44/70/919474470.db2.gz VXPKKTIMDYBSGF-LBPRGKRZSA-N 2 2 293.371 -0.482 20 0 CBADLP CC[N@@H+](CCNC(=O)Cn1cc[nH+]c1C)[C@H]1CCNC1=O ZINC001493059090 919474483 /nfs/dbraw/zinc/47/44/83/919474483.db2.gz VXPKKTIMDYBSGF-LBPRGKRZSA-N 2 2 293.371 -0.482 20 0 CBADLP CCNC(=O)C[N@H+](CC)CCNC(=O)Cn1cc[nH+]c1C ZINC001493058882 919474960 /nfs/dbraw/zinc/47/49/60/919474960.db2.gz SDPZVLVNZSPYJH-UHFFFAOYSA-N 2 2 295.387 -0.234 20 0 CBADLP CCNC(=O)C[N@@H+](CC)CCNC(=O)Cn1cc[nH+]c1C ZINC001493058882 919474974 /nfs/dbraw/zinc/47/49/74/919474974.db2.gz SDPZVLVNZSPYJH-UHFFFAOYSA-N 2 2 295.387 -0.234 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001493268146 919512597 /nfs/dbraw/zinc/51/25/97/919512597.db2.gz CIPZENOJGXEJHU-NWDGAFQWSA-N 2 2 293.371 -0.544 20 0 CBADLP CNC(=O)[C@H](C)[N@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001493268146 919512604 /nfs/dbraw/zinc/51/26/04/919512604.db2.gz CIPZENOJGXEJHU-NWDGAFQWSA-N 2 2 293.371 -0.544 20 0 CBADLP C[C@H](O)C[NH2+]CCN(C)C(=O)CCc1[nH+]ccn1C ZINC001493640007 919594343 /nfs/dbraw/zinc/59/43/43/919594343.db2.gz HRMHQDRRHJEENR-NSHDSACASA-N 2 2 268.361 -0.219 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NCC1C[NH+]([C@H]2CCNC2=O)C1 ZINC001494572895 919738976 /nfs/dbraw/zinc/73/89/76/919738976.db2.gz MXTFLEXXKGOPKP-LBPRGKRZSA-N 2 2 291.355 -0.872 20 0 CBADLP CC[C@H](C(=O)NCC1C[NH+](CC(=O)NC)C1)[NH+](CC)CC ZINC001494591261 919746813 /nfs/dbraw/zinc/74/68/13/919746813.db2.gz GTYJDMKPLXYOQQ-CYBMUJFWSA-N 2 2 298.431 -0.099 20 0 CBADLP CCN(C)C(=O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)C ZINC001494668618 919767963 /nfs/dbraw/zinc/76/79/63/919767963.db2.gz REBRVBBKNXBEEF-STQMWFEESA-N 2 2 296.415 -0.299 20 0 CBADLP CCN(C)C(=O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)C ZINC001494668618 919767973 /nfs/dbraw/zinc/76/79/73/919767973.db2.gz REBRVBBKNXBEEF-STQMWFEESA-N 2 2 296.415 -0.299 20 0 CBADLP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCOCCO)[NH+](C)C ZINC001494673104 919768260 /nfs/dbraw/zinc/76/82/60/919768260.db2.gz PTOVIFMUHITJQO-IHRRRGAJSA-N 2 2 299.415 -0.379 20 0 CBADLP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCOCCO)[NH+](C)C ZINC001494673104 919768272 /nfs/dbraw/zinc/76/82/72/919768272.db2.gz PTOVIFMUHITJQO-IHRRRGAJSA-N 2 2 299.415 -0.379 20 0 CBADLP CC(C)[C@@H](C(=O)N[C@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1)[NH+](C)C ZINC001494710320 919777698 /nfs/dbraw/zinc/77/76/98/919777698.db2.gz WIMNQMHEOBYIFD-SRVKXCTJSA-N 2 2 284.404 -0.363 20 0 CBADLP CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+]([C@@H](C)C(N)=O)C1)[NH+](C)C ZINC001494710320 919777707 /nfs/dbraw/zinc/77/77/07/919777707.db2.gz WIMNQMHEOBYIFD-SRVKXCTJSA-N 2 2 284.404 -0.363 20 0 CBADLP CC[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+]CC(N)=O ZINC001494995170 919835968 /nfs/dbraw/zinc/83/59/68/919835968.db2.gz QCUFQFZLPFNKMT-VIFPVBQESA-N 2 2 267.333 -0.688 20 0 CBADLP CC[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH2+]CC(N)=O ZINC001494995170 919835983 /nfs/dbraw/zinc/83/59/83/919835983.db2.gz QCUFQFZLPFNKMT-VIFPVBQESA-N 2 2 267.333 -0.688 20 0 CBADLP CC[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+][C@H]1CCCNC1=O ZINC001495117074 919863694 /nfs/dbraw/zinc/86/36/94/919863694.db2.gz JEOMQYSLZWDZSM-RYUDHWBXSA-N 2 2 293.371 -0.354 20 0 CBADLP CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001495596227 919904934 /nfs/dbraw/zinc/90/49/34/919904934.db2.gz CEQWIQOWVUWVRV-GFCCVEGCSA-N 2 2 293.371 -0.400 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)C[NH2+]Cc1ccon1 ZINC001495635334 919917613 /nfs/dbraw/zinc/91/76/13/919917613.db2.gz PFBWYOWZIAHXDO-AAEUAGOBSA-N 2 2 296.371 -0.153 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C[NH2+]Cc1ccon1 ZINC001495635334 919917628 /nfs/dbraw/zinc/91/76/28/919917628.db2.gz PFBWYOWZIAHXDO-AAEUAGOBSA-N 2 2 296.371 -0.153 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)C[NH2+]CCO ZINC001495693990 919927864 /nfs/dbraw/zinc/92/78/64/919927864.db2.gz GGVLHUIIGDNLLH-NEPJUHHUSA-N 2 2 280.372 -0.220 20 0 CBADLP CCN(C)C(=O)C[NH2+]C[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001495747352 919939105 /nfs/dbraw/zinc/93/91/05/919939105.db2.gz KEXANOKCPARTNP-NSHDSACASA-N 2 2 295.387 -0.228 20 0 CBADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)C[NH2+][C@@H]1CCCNC1=O ZINC001495772991 919941020 /nfs/dbraw/zinc/94/10/20/919941020.db2.gz XHYZWGFSDIMBFK-WDEREUQCSA-N 2 2 293.371 -0.427 20 0 CBADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)C[NH2+][C@H]1CCCNC1=O ZINC001495772989 919941063 /nfs/dbraw/zinc/94/10/63/919941063.db2.gz XHYZWGFSDIMBFK-QWRGUYRKSA-N 2 2 293.371 -0.427 20 0 CBADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)C[NH2+][C@@H]1CCCNC1=O ZINC001495772980 919942779 /nfs/dbraw/zinc/94/27/79/919942779.db2.gz XHYZWGFSDIMBFK-GHMZBOCLSA-N 2 2 293.371 -0.427 20 0 CBADLP C[C@H](C[NH2+]CCO)N(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001496091466 920025676 /nfs/dbraw/zinc/02/56/76/920025676.db2.gz CCDKKHJGZMCSBT-VXGBXAGGSA-N 2 2 280.372 -0.126 20 0 CBADLP C[C@H](C[NH2+]C[C@H](C)O)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001496191911 920038822 /nfs/dbraw/zinc/03/88/22/920038822.db2.gz LTDUCMVMQMBZJI-ZJUUUORDSA-N 2 2 254.334 -0.231 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]C[C@H](C)N(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001496219142 920041181 /nfs/dbraw/zinc/04/11/81/920041181.db2.gz USFUGQLRJNUCHY-ONGXEEELSA-N 2 2 295.387 -0.168 20 0 CBADLP CCN(C)C(=O)C[NH2+]C[C@@H](C)N(C)C(=O)Cn1cc[nH+]c1 ZINC001496244613 920053232 /nfs/dbraw/zinc/05/32/32/920053232.db2.gz QYYAFRGTQRKWGO-GFCCVEGCSA-N 2 2 295.387 -0.202 20 0 CBADLP C[C@H]([NH2+]CC(N)=O)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001496458329 920072047 /nfs/dbraw/zinc/07/20/47/920072047.db2.gz CTSCFDPMQRKVEO-RYUDHWBXSA-N 2 2 293.371 -0.415 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@H](CNC(=O)Cc1c[nH]c[nH+]1)C(C)C ZINC001496607906 920095911 /nfs/dbraw/zinc/09/59/11/920095911.db2.gz ODPQNTCJXLKETE-ZYHUDNBSSA-N 2 2 295.387 -0.183 20 0 CBADLP CC(C)[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CC(=O)N(C)C ZINC001496643684 920101397 /nfs/dbraw/zinc/10/13/97/920101397.db2.gz VGAIYPNLJZKGHD-GFCCVEGCSA-N 2 2 295.387 -0.298 20 0 CBADLP CC(C)[NH2+]C[C@H](O)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001496993266 920198459 /nfs/dbraw/zinc/19/84/59/920198459.db2.gz XCSOWANLJCGXNK-NSHDSACASA-N 2 2 254.334 -0.183 20 0 CBADLP CC(C)[NH2+]C[C@H](O)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001496993266 920198473 /nfs/dbraw/zinc/19/84/73/920198473.db2.gz XCSOWANLJCGXNK-NSHDSACASA-N 2 2 254.334 -0.183 20 0 CBADLP CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001496999853 920200058 /nfs/dbraw/zinc/20/00/58/920200058.db2.gz ZTMDLLWSPNEIAX-OPRDCNLKSA-N 2 2 252.318 -0.400 20 0 CBADLP CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001496999853 920200078 /nfs/dbraw/zinc/20/00/78/920200078.db2.gz ZTMDLLWSPNEIAX-OPRDCNLKSA-N 2 2 252.318 -0.400 20 0 CBADLP CC(C)[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001497012642 920206764 /nfs/dbraw/zinc/20/67/64/920206764.db2.gz SKOZFRUFMGKZGR-VXGBXAGGSA-N 2 2 280.372 -0.079 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H](O)C[NH2+]Cc1cncs1 ZINC001497064671 920233839 /nfs/dbraw/zinc/23/38/39/920233839.db2.gz VYILCUXDZTWKMB-SNVBAGLBSA-N 2 2 295.368 -0.324 20 0 CBADLP Cc1oncc1C[NH2+]C[C@@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001497081701 920243438 /nfs/dbraw/zinc/24/34/38/920243438.db2.gz TYRXXQUXQUIXGF-LLVKDONJSA-N 2 2 293.327 -0.484 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@H](O)C[NH2+]Cc1nccs1 ZINC001497127015 920257334 /nfs/dbraw/zinc/25/73/34/920257334.db2.gz QMMZVUYUNJOZGL-SNVBAGLBSA-N 2 2 295.368 -0.394 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@H](O)C[NH2+]C/C=C/Cl ZINC001497127423 920257880 /nfs/dbraw/zinc/25/78/80/920257880.db2.gz UBGWEONGMBOIAB-TXXBHVLJSA-N 2 2 272.736 -0.298 20 0 CBADLP C[C@@H](CC[NH2+][C@@H](C)C(N)=O)NC(=O)Cn1cc[nH+]c1 ZINC001497336875 920286028 /nfs/dbraw/zinc/28/60/28/920286028.db2.gz KZZBSTMWPLZJRK-UWVGGRQHSA-N 2 2 267.333 -0.759 20 0 CBADLP CCN(CC[NH2+]CCO)C(=O)Cc1c[nH+]cn1C ZINC001497484346 920313522 /nfs/dbraw/zinc/31/35/22/920313522.db2.gz KXSPASJOOGUFAF-UHFFFAOYSA-N 2 2 254.334 -0.607 20 0 CBADLP CCN(CC[NH2+]CC(=O)NC)C(=O)Cn1cc[nH+]c1 ZINC001497506994 920316612 /nfs/dbraw/zinc/31/66/12/920316612.db2.gz XDAOZWMTTAORBZ-UHFFFAOYSA-N 2 2 267.333 -0.933 20 0 CBADLP Cn1ncc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC001497549663 920333849 /nfs/dbraw/zinc/33/38/49/920333849.db2.gz SWQFDYDHADIVGY-OOPCZODUSA-N 2 2 292.387 -0.329 20 0 CBADLP Cn1ncc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001497549663 920333863 /nfs/dbraw/zinc/33/38/63/920333863.db2.gz SWQFDYDHADIVGY-OOPCZODUSA-N 2 2 292.387 -0.329 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)NC/C=C\C[NH2+]CC(N)=O ZINC001497639766 920357917 /nfs/dbraw/zinc/35/79/17/920357917.db2.gz FPYFAYGACKMWQR-IHWYPQMZSA-N 2 2 279.344 -0.900 20 0 CBADLP CC[C@@H](C(=O)NC/C=C\C[NH2+]Cc1cn(C)nn1)[NH+](C)C ZINC001497725282 920374145 /nfs/dbraw/zinc/37/41/45/920374145.db2.gz BIAOQIMXWCWAMJ-FWWRYZNZSA-N 2 2 294.403 -0.083 20 0 CBADLP Cc1ncoc1C[NH2+]C[C@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001498025504 920451916 /nfs/dbraw/zinc/45/19/16/920451916.db2.gz JGYQZKBRDVZCCG-GWCFXTLKSA-N 2 2 296.371 -0.092 20 0 CBADLP Cc1ncoc1C[NH2+]C[C@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001498025504 920451921 /nfs/dbraw/zinc/45/19/21/920451921.db2.gz JGYQZKBRDVZCCG-GWCFXTLKSA-N 2 2 296.371 -0.092 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001498080477 920470649 /nfs/dbraw/zinc/47/06/49/920470649.db2.gz AAJYDDVBKBRXRR-WDEREUQCSA-N 2 2 281.360 -0.498 20 0 CBADLP CNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001498114531 920485209 /nfs/dbraw/zinc/48/52/09/920485209.db2.gz HWFBTOAALVTWAI-HBNTYKKESA-N 2 2 293.371 -0.636 20 0 CBADLP CCNC(=O)C[NH2+]CCCN(C)C(=O)Cn1cc[nH+]c1 ZINC001498661390 920623518 /nfs/dbraw/zinc/62/35/18/920623518.db2.gz TZSIUSYNMGUUQP-UHFFFAOYSA-N 2 2 281.360 -0.543 20 0 CBADLP NC(=O)C[NH2+]C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC1 ZINC001498776466 920639217 /nfs/dbraw/zinc/63/92/17/920639217.db2.gz YQHFCSKXDZHHHE-MXWKQRLJSA-N 2 2 291.355 -0.517 20 0 CBADLP CCOCCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001498950741 920666973 /nfs/dbraw/zinc/66/69/73/920666973.db2.gz AHRWKEBVEDAUIG-KGLIPLIRSA-N 2 2 299.415 -0.066 20 0 CBADLP CCOCCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001498950741 920666980 /nfs/dbraw/zinc/66/69/80/920666980.db2.gz AHRWKEBVEDAUIG-KGLIPLIRSA-N 2 2 299.415 -0.066 20 0 CBADLP CCOCCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001498950741 920666986 /nfs/dbraw/zinc/66/69/86/920666986.db2.gz AHRWKEBVEDAUIG-KGLIPLIRSA-N 2 2 299.415 -0.066 20 0 CBADLP CCOCCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001498950741 920666992 /nfs/dbraw/zinc/66/69/92/920666992.db2.gz AHRWKEBVEDAUIG-KGLIPLIRSA-N 2 2 299.415 -0.066 20 0 CBADLP C[NH+](C)CCCC(=O)NC[C@H]1CC[N@@H+]1[C@@H]1CCNC1=O ZINC001499047333 920690533 /nfs/dbraw/zinc/69/05/33/920690533.db2.gz FWHKSCYKUMIWMM-VXGBXAGGSA-N 2 2 282.388 -0.593 20 0 CBADLP C[NH+](C)CCCC(=O)NC[C@H]1CC[N@H+]1[C@@H]1CCNC1=O ZINC001499047333 920690545 /nfs/dbraw/zinc/69/05/45/920690545.db2.gz FWHKSCYKUMIWMM-VXGBXAGGSA-N 2 2 282.388 -0.593 20 0 CBADLP O=C(C[NH2+]C1(CNC(=O)Cn2cc[nH+]c2)CC1)NC1CC1 ZINC001499474987 920753515 /nfs/dbraw/zinc/75/35/15/920753515.db2.gz VIXKJYRBQMFZLC-UHFFFAOYSA-N 2 2 291.355 -0.600 20 0 CBADLP C[C@@H]1CC[N@H+](CC(=O)N[C@]2(C)CC[NH+](CC(N)=O)C2)C1 ZINC001500257769 920821131 /nfs/dbraw/zinc/82/11/31/920821131.db2.gz MOYNAJTVSZHZKK-BXUZGUMPSA-N 2 2 282.388 -0.606 20 0 CBADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@]2(C)CC[NH+](CC(N)=O)C2)C1 ZINC001500257769 920821146 /nfs/dbraw/zinc/82/11/46/920821146.db2.gz MOYNAJTVSZHZKK-BXUZGUMPSA-N 2 2 282.388 -0.606 20 0 CBADLP C[C@@H]1CC[NH+](CC(=O)N[C@]2(C)CC[N@H+](CC(N)=O)C2)C1 ZINC001500257769 920821155 /nfs/dbraw/zinc/82/11/55/920821155.db2.gz MOYNAJTVSZHZKK-BXUZGUMPSA-N 2 2 282.388 -0.606 20 0 CBADLP C[C@@H]1CC[NH+](CC(=O)N[C@]2(C)CC[N@@H+](CC(N)=O)C2)C1 ZINC001500257769 920821168 /nfs/dbraw/zinc/82/11/68/920821168.db2.gz MOYNAJTVSZHZKK-BXUZGUMPSA-N 2 2 282.388 -0.606 20 0 CBADLP CCNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001500290808 920825438 /nfs/dbraw/zinc/82/54/38/920825438.db2.gz XEIIZQZBONFQRJ-HNNXBMFYSA-N 2 2 296.415 -0.201 20 0 CBADLP CCNC(=O)C[N@H+]1CC[C@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001500290808 920825449 /nfs/dbraw/zinc/82/54/49/920825449.db2.gz XEIIZQZBONFQRJ-HNNXBMFYSA-N 2 2 296.415 -0.201 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+]1CC[C@@](C)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001500296747 920827042 /nfs/dbraw/zinc/82/70/42/920827042.db2.gz WSCUXBLUPVASHE-SMDDNHRTSA-N 2 2 293.371 -0.402 20 0 CBADLP CNC(=O)[C@H](C)[N@H+]1CC[C@@](C)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001500296747 920827051 /nfs/dbraw/zinc/82/70/51/920827051.db2.gz WSCUXBLUPVASHE-SMDDNHRTSA-N 2 2 293.371 -0.402 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NCC1(O)C[NH+](CCCF)C1 ZINC001500882772 920915398 /nfs/dbraw/zinc/91/53/98/920915398.db2.gz RFDBKGWJNQNYFM-UHFFFAOYSA-N 2 2 284.335 -0.286 20 0 CBADLP C[C@@H](F)CC[NH+]1CC(O)(CNC(=O)CC[NH+](C)C)C1 ZINC001500914780 920918904 /nfs/dbraw/zinc/91/89/04/920918904.db2.gz IIOYBQXTXAVNCQ-LLVKDONJSA-N 2 2 275.368 -0.151 20 0 CBADLP C[C@@H]([NH2+]CC(N)=O)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001501079453 920947091 /nfs/dbraw/zinc/94/70/91/920947091.db2.gz CSZOTBHYRJXEJH-ZJUUUORDSA-N 2 2 279.344 -0.736 20 0 CBADLP CC(C)[NH+](C)CC(=O)NC[C@@H]1COCC[N@H+]1C[C@@H](C)O ZINC001501848196 921069949 /nfs/dbraw/zinc/06/99/49/921069949.db2.gz IRYIRIZVDMRMNL-CHWSQXEVSA-N 2 2 287.404 -0.476 20 0 CBADLP CC(C)[NH+](C)CC(=O)NC[C@@H]1COCC[N@@H+]1C[C@@H](C)O ZINC001501848196 921069959 /nfs/dbraw/zinc/06/99/59/921069959.db2.gz IRYIRIZVDMRMNL-CHWSQXEVSA-N 2 2 287.404 -0.476 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1COCC[NH+]1C[C@@H](C)O ZINC001501848196 921069973 /nfs/dbraw/zinc/06/99/73/921069973.db2.gz IRYIRIZVDMRMNL-CHWSQXEVSA-N 2 2 287.404 -0.476 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NC[C@@H]1COCC[NH+]1C[C@@H](C)O ZINC001501848196 921069986 /nfs/dbraw/zinc/06/99/86/921069986.db2.gz IRYIRIZVDMRMNL-CHWSQXEVSA-N 2 2 287.404 -0.476 20 0 CBADLP COC[C@@H]1C[NH2+]CCN1C(=O)CCn1cc[nH+]c1 ZINC001514596529 922207712 /nfs/dbraw/zinc/20/77/12/922207712.db2.gz OVABAUUZEZJNRT-NSHDSACASA-N 2 2 252.318 -0.280 20 0 CBADLP C[C@@H]1CN(c2cc(N)[nH+]cn2)[C@@H](C)C[N@@H+]1CCO ZINC001515832720 922244768 /nfs/dbraw/zinc/24/47/68/922244768.db2.gz SQGVJACCAPSCAP-ZJUUUORDSA-N 2 2 251.334 -0.050 20 0 CBADLP C[C@@H]1CN(c2cc(N)[nH+]cn2)[C@@H](C)C[N@H+]1CCO ZINC001515832720 922244781 /nfs/dbraw/zinc/24/47/81/922244781.db2.gz SQGVJACCAPSCAP-ZJUUUORDSA-N 2 2 251.334 -0.050 20 0 CBADLP C[NH+](C)C[C@]1(O)CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001520422511 922307506 /nfs/dbraw/zinc/30/75/06/922307506.db2.gz IVBHCZBJLFJBAD-CYBMUJFWSA-N 2 2 266.345 -0.133 20 0 CBADLP C/C(=C/C(=O)N1CC[NH+](C)CC1)C(=O)N1CC[NH+](C)CC1 ZINC001520696619 922318994 /nfs/dbraw/zinc/31/89/94/922318994.db2.gz RMTBRJGTIUGICR-SEYXRHQNSA-N 2 2 294.399 -0.519 20 0 CBADLP C[C@@H](C(=O)N1C[C@H]([NH3+])C(C)(C)C1)N1CC[NH2+]CC1=O ZINC001522706653 922509152 /nfs/dbraw/zinc/50/91/52/922509152.db2.gz JRJHJUOXYUCTFQ-UWVGGRQHSA-N 2 2 268.361 -0.998 20 0 CBADLP C[C@H](C(=O)N1CCC[C@@]([NH3+])(CO)C1)n1cc[nH+]c1 ZINC001523009061 922559242 /nfs/dbraw/zinc/55/92/42/922559242.db2.gz BECWXOSLFWLYHV-PWSUYJOCSA-N 2 2 252.318 -0.244 20 0 CBADLP C[C@@H](C(=O)N1CCC[C@@]([NH3+])(CO)C1)n1cc[nH+]c1 ZINC001523009059 922559935 /nfs/dbraw/zinc/55/99/35/922559935.db2.gz BECWXOSLFWLYHV-JQWIXIFHSA-N 2 2 252.318 -0.244 20 0 CBADLP CC[N@@H+]1CC[C@@H]1C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC001543383393 923290493 /nfs/dbraw/zinc/29/04/93/923290493.db2.gz KIDQNWHOWKKPDW-NWDGAFQWSA-N 2 2 254.378 -0.557 20 0 CBADLP CC[N@H+]1CC[C@@H]1C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC001543383393 923290498 /nfs/dbraw/zinc/29/04/98/923290498.db2.gz KIDQNWHOWKKPDW-NWDGAFQWSA-N 2 2 254.378 -0.557 20 0 CBADLP CC[NH+]1CC[C@@H]1C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001543383393 923290527 /nfs/dbraw/zinc/29/05/27/923290527.db2.gz KIDQNWHOWKKPDW-NWDGAFQWSA-N 2 2 254.378 -0.557 20 0 CBADLP CN1CC[NH2+]C[C@@H]1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001548496530 923359505 /nfs/dbraw/zinc/35/95/05/923359505.db2.gz NUABNBWWMJHYNH-CYBMUJFWSA-N 2 2 289.383 -0.366 20 0 CBADLP Nc1cc(N2CC[NH+](CCC(=O)NC3CC3)CC2)nc[nH+]1 ZINC001548513094 923363402 /nfs/dbraw/zinc/36/34/02/923363402.db2.gz OSDHTBHPUDIGIW-UHFFFAOYSA-N 2 2 290.371 -0.151 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C[C@]1(O)CCC[NH2+]C1 ZINC001548554199 923374775 /nfs/dbraw/zinc/37/47/75/923374775.db2.gz SBVPJTJCJKHDRH-TZMCWYRMSA-N 2 2 285.388 -0.672 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C[C@]1(O)CCC[NH2+]C1 ZINC001548554199 923374788 /nfs/dbraw/zinc/37/47/88/923374788.db2.gz SBVPJTJCJKHDRH-TZMCWYRMSA-N 2 2 285.388 -0.672 20 0 CBADLP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001548550954 923375213 /nfs/dbraw/zinc/37/52/13/923375213.db2.gz YYKQTCPPSAVTIN-STQMWFEESA-N 2 2 292.383 -0.053 20 0 CBADLP CN1CC[NH2+]C[C@@H]1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC001548548966 923376063 /nfs/dbraw/zinc/37/60/63/923376063.db2.gz QVFPFDNSVUGPJR-CYBMUJFWSA-N 2 2 291.399 -0.218 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CCO3)CC1 ZINC001548549092 923377055 /nfs/dbraw/zinc/37/70/55/923377055.db2.gz UCYOZOGJYJESKX-OCCSQVGLSA-N 2 2 283.372 -0.845 20 0 CBADLP O=C(NCCc1[nH]cc[nH+]1)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC001548552933 923377450 /nfs/dbraw/zinc/37/74/50/923377450.db2.gz HQHHPONYRKWRSY-CYBMUJFWSA-N 2 2 277.328 -0.033 20 0 CBADLP O=C(N[C@H]1C[NH2+]C[C@H]1O)c1cccc(-n2cc[nH+]c2)c1 ZINC001548572861 923398272 /nfs/dbraw/zinc/39/82/72/923398272.db2.gz QYSRSTUDXORRQI-QWHCGFSZSA-N 2 2 272.308 -0.065 20 0 CBADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1C[NH+]2CCN1C[C@@H]2C ZINC001548711051 923465374 /nfs/dbraw/zinc/46/53/74/923465374.db2.gz QMCFQJXUIHWODX-BFHYXJOUSA-N 2 2 280.416 -0.073 20 0 CBADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]1C[NH+]2CCN1C[C@@H]2C ZINC001548711051 923465382 /nfs/dbraw/zinc/46/53/82/923465382.db2.gz QMCFQJXUIHWODX-BFHYXJOUSA-N 2 2 280.416 -0.073 20 0 CBADLP CC[C@@H]1C[NH+](C)CCN1C(=O)[C@H]1C[N@@H+]2CCN1C[C@@H]2C ZINC001548711051 923465391 /nfs/dbraw/zinc/46/53/91/923465391.db2.gz QMCFQJXUIHWODX-BFHYXJOUSA-N 2 2 280.416 -0.073 20 0 CBADLP CC[C@@H]1C[NH+](C)CCN1C(=O)[C@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001548711051 923465396 /nfs/dbraw/zinc/46/53/96/923465396.db2.gz QMCFQJXUIHWODX-BFHYXJOUSA-N 2 2 280.416 -0.073 20 0 CBADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1C[NH+]2CCN1C[C@H]2C ZINC001548711053 923466717 /nfs/dbraw/zinc/46/67/17/923466717.db2.gz QMCFQJXUIHWODX-MGPQQGTHSA-N 2 2 280.416 -0.073 20 0 CBADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]1C[NH+]2CCN1C[C@H]2C ZINC001548711053 923466729 /nfs/dbraw/zinc/46/67/29/923466729.db2.gz QMCFQJXUIHWODX-MGPQQGTHSA-N 2 2 280.416 -0.073 20 0 CBADLP CC[C@@H]1C[NH+](C)CCN1C(=O)[C@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001548711053 923466740 /nfs/dbraw/zinc/46/67/40/923466740.db2.gz QMCFQJXUIHWODX-MGPQQGTHSA-N 2 2 280.416 -0.073 20 0 CBADLP CC[C@@H]1C[NH+](C)CCN1C(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C ZINC001548711053 923466750 /nfs/dbraw/zinc/46/67/50/923466750.db2.gz QMCFQJXUIHWODX-MGPQQGTHSA-N 2 2 280.416 -0.073 20 0 CBADLP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCCc1cn(C)c[nH+]1 ZINC001548719389 923473615 /nfs/dbraw/zinc/47/36/15/923473615.db2.gz QUVDLLAVIFUPGG-WCQYABFASA-N 2 2 277.372 -0.533 20 0 CBADLP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCCc1cn(C)c[nH+]1 ZINC001548719389 923473622 /nfs/dbraw/zinc/47/36/22/923473622.db2.gz QUVDLLAVIFUPGG-WCQYABFASA-N 2 2 277.372 -0.533 20 0 CBADLP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC001548723973 923475420 /nfs/dbraw/zinc/47/54/20/923475420.db2.gz FLPZZPFMSOMQSJ-MBNYWOFBSA-N 2 2 289.383 -0.298 20 0 CBADLP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC001548723973 923475428 /nfs/dbraw/zinc/47/54/28/923475428.db2.gz FLPZZPFMSOMQSJ-MBNYWOFBSA-N 2 2 289.383 -0.298 20 0 CBADLP O=C(NC[C@H]1C[NH2+]CCCO1)[C@H]1CCn2cc[nH+]c2C1 ZINC001549539457 923601878 /nfs/dbraw/zinc/60/18/78/923601878.db2.gz CKKANOMRWLPHHD-NWDGAFQWSA-N 2 2 278.356 -0.060 20 0 CBADLP Cn1c[nH+]cc1CN1C[C@H](n2ccnn2)[C@@H]([NH+](C)C)C1 ZINC001549604101 923613740 /nfs/dbraw/zinc/61/37/40/923613740.db2.gz DVAOOAFARDLXKO-STQMWFEESA-N 2 2 275.360 -0.001 20 0 CBADLP Cn1cnc([C@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@@H]2[NH3+])c1 ZINC001549746210 923638293 /nfs/dbraw/zinc/63/82/93/923638293.db2.gz HXXGARRQQSSXPL-RYUDHWBXSA-N 2 2 288.355 -0.040 20 0 CBADLP C[C@@H](C(=O)NC[C@H]1CC12CC[NH2+]CC2)N1CC[NH2+]CC1=O ZINC001550081620 923669598 /nfs/dbraw/zinc/66/95/98/923669598.db2.gz QTHJDJNBVRSOSJ-NWDGAFQWSA-N 2 2 294.399 -0.687 20 0 CBADLP C[C@@H](C(=O)NC[C@@H]1CC12CC[NH2+]CC2)N1CC[NH2+]CC1=O ZINC001550081622 923669998 /nfs/dbraw/zinc/66/99/98/923669998.db2.gz QTHJDJNBVRSOSJ-RYUDHWBXSA-N 2 2 294.399 -0.687 20 0 CBADLP C[C@@H]1C[N@H+](CCN2C[C@H]3CCC[NH+]3C[C@@H]2CO)CCO1 ZINC001550145068 923700664 /nfs/dbraw/zinc/70/06/64/923700664.db2.gz LNDBKAGUJHXCAN-RBSFLKMASA-N 2 2 283.416 -0.152 20 0 CBADLP C[C@@H]1C[N@@H+](CCN2C[C@H]3CCC[NH+]3C[C@@H]2CO)CCO1 ZINC001550145068 923700681 /nfs/dbraw/zinc/70/06/81/923700681.db2.gz LNDBKAGUJHXCAN-RBSFLKMASA-N 2 2 283.416 -0.152 20 0 CBADLP C[C@@H]1C[NH+](CCN2C[C@H]3CCC[N@@H+]3C[C@@H]2CO)CCO1 ZINC001550145068 923700688 /nfs/dbraw/zinc/70/06/88/923700688.db2.gz LNDBKAGUJHXCAN-RBSFLKMASA-N 2 2 283.416 -0.152 20 0 CBADLP C[C@@H]1C[NH+](CCN2C[C@H]3CCC[N@H+]3C[C@@H]2CO)CCO1 ZINC001550145068 923700695 /nfs/dbraw/zinc/70/06/95/923700695.db2.gz LNDBKAGUJHXCAN-RBSFLKMASA-N 2 2 283.416 -0.152 20 0 CBADLP Cc1cc(N)nc(N2C[C@@H](n3ccnn3)[C@@H]([NH+](C)C)C2)[nH+]1 ZINC001550634546 923735039 /nfs/dbraw/zinc/73/50/39/923735039.db2.gz OFTMZWSIFLAZDH-WDEREUQCSA-N 2 2 288.359 -0.050 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC001550743957 923743574 /nfs/dbraw/zinc/74/35/74/923743574.db2.gz HBONERRDJPONNG-ZDUSSCGKSA-N 3 2 295.431 -0.007 20 0 CBADLP C[C@H](CNC(=O)NC1CC2(C[C@H]2[NH3+])C1)[NH+]1CCOCC1 ZINC001551579498 923804908 /nfs/dbraw/zinc/80/49/08/923804908.db2.gz CADMOXLWDBUMGE-KTEZZQQRSA-N 2 2 282.388 -0.114 20 0 CBADLP [NH3+][C@H]1CC12CC(NC(=O)N1CC[NH+]([C@H]3CCOC3)CC1)C2 ZINC001551573478 923805895 /nfs/dbraw/zinc/80/58/95/923805895.db2.gz FHMAGCKWLWDOLE-FMPXUHTOSA-N 2 2 294.399 -0.018 20 0 CBADLP O=C([C@H]1C[C@H]1C1CC[NH2+]CC1)N1CC[NH+](CCO)CC1 ZINC001552157007 923838023 /nfs/dbraw/zinc/83/80/23/923838023.db2.gz XMLPRFALJGABKX-KBPBESRZSA-N 2 2 281.400 -0.241 20 0 CBADLP O=C(N[C@@H]1C[NH2+]CC(F)(F)C1)[C@@H]1C[NH2+]CCOC1 ZINC001552164274 923844010 /nfs/dbraw/zinc/84/40/10/923844010.db2.gz RDYZOSLZNHBYAI-BDAKNGLRSA-N 2 2 263.288 -0.664 20 0 CBADLP O=C(NCCn1cc[nH+]c1)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001552166420 923844908 /nfs/dbraw/zinc/84/49/08/923844908.db2.gz CGDDYIVSRKKQHZ-SNVBAGLBSA-N 2 2 275.316 -0.561 20 0 CBADLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552201547 923857882 /nfs/dbraw/zinc/85/78/82/923857882.db2.gz QJELLKYKAPAHBH-IUODEOHRSA-N 2 2 297.399 -0.551 20 0 CBADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552201547 923857895 /nfs/dbraw/zinc/85/78/95/923857895.db2.gz QJELLKYKAPAHBH-IUODEOHRSA-N 2 2 297.399 -0.551 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@]23C[NH2+]C[C@@H]2COC3)CCO1 ZINC001552201927 923858805 /nfs/dbraw/zinc/85/88/05/923858805.db2.gz VJCQEKKMEFGDPJ-YRGRVCCFSA-N 2 2 283.372 -0.941 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@]23C[NH2+]C[C@@H]2COC3)CCO1 ZINC001552201927 923858815 /nfs/dbraw/zinc/85/88/15/923858815.db2.gz VJCQEKKMEFGDPJ-YRGRVCCFSA-N 2 2 283.372 -0.941 20 0 CBADLP C[C@H]([C@H](C)NC(=O)[C@]12C[NH2+]C[C@@H]1COC2)[NH+]1CCOCC1 ZINC001552201571 923860755 /nfs/dbraw/zinc/86/07/55/923860755.db2.gz SEGVBZGCAWDELT-JLNYLFASSA-N 2 2 297.399 -0.552 20 0 CBADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552274247 923877417 /nfs/dbraw/zinc/87/74/17/923877417.db2.gz ZUXABQWNPYHBON-UMVBOHGHSA-N 2 2 297.399 -0.551 20 0 CBADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552274247 923877428 /nfs/dbraw/zinc/87/74/28/923877428.db2.gz ZUXABQWNPYHBON-UMVBOHGHSA-N 2 2 297.399 -0.551 20 0 CBADLP C[C@H]1C[NH2+]C[C@H]1NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC001552337424 923886606 /nfs/dbraw/zinc/88/66/06/923886606.db2.gz GJDGATQKCPPNBU-WUHRBBMRSA-N 2 2 282.388 -0.243 20 0 CBADLP C[C@H]1C[NH2+]C[C@H]1NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC001552337424 923886619 /nfs/dbraw/zinc/88/66/19/923886619.db2.gz GJDGATQKCPPNBU-WUHRBBMRSA-N 2 2 282.388 -0.243 20 0 CBADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NC1CC([NH3+])C1 ZINC001552344941 923887868 /nfs/dbraw/zinc/88/78/68/923887868.db2.gz JZAUAVCLFGGNKB-IKWCTNDRSA-N 2 2 282.388 -0.019 20 0 CBADLP C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCCC[NH2+]C2)C1 ZINC001552420208 923897115 /nfs/dbraw/zinc/89/71/15/923897115.db2.gz DZODHCPJILQRGX-RYUDHWBXSA-N 2 2 255.362 -0.177 20 0 CBADLP C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCCC[NH2+]C2)C1 ZINC001552420208 923897123 /nfs/dbraw/zinc/89/71/23/923897123.db2.gz DZODHCPJILQRGX-RYUDHWBXSA-N 2 2 255.362 -0.177 20 0 CBADLP [NH3+][C@@H]1C[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1n1ccnn1 ZINC001552973408 923929591 /nfs/dbraw/zinc/92/95/91/923929591.db2.gz DJYFPDSRUXFHJS-YUSLTOFOSA-N 3 2 276.388 -0.007 20 0 CBADLP [NH3+][C@@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1n1ccnn1 ZINC001552973408 923929594 /nfs/dbraw/zinc/92/95/94/923929594.db2.gz DJYFPDSRUXFHJS-YUSLTOFOSA-N 3 2 276.388 -0.007 20 0 CBADLP [NH3+][C@@H]1CN(Cc2cc3c(s2)CC[NH2+]C3)C[C@H]1[NH3+] ZINC001552973665 923929977 /nfs/dbraw/zinc/92/99/77/923929977.db2.gz UCJBDRCNRNENDQ-GHMZBOCLSA-N 3 2 252.387 -0.136 20 0 CBADLP C[N@@H+]1CC[C@@H]1CNC(=O)N1CC[C@H](N2CC[NH+](C)CC2)C1 ZINC001553022425 923936990 /nfs/dbraw/zinc/93/69/90/923936990.db2.gz SLPYRDSMTPUXNW-KGLIPLIRSA-N 2 2 295.431 -0.278 20 0 CBADLP C[N@H+]1CC[C@@H]1CNC(=O)N1CC[C@H](N2CC[NH+](C)CC2)C1 ZINC001553022425 923937005 /nfs/dbraw/zinc/93/70/05/923937005.db2.gz SLPYRDSMTPUXNW-KGLIPLIRSA-N 2 2 295.431 -0.278 20 0 CBADLP CN1CC[NH+]([C@H]2CCN(C(=O)NC[C@H]3CC[N@@H+]3C)C2)CC1 ZINC001553022425 923937014 /nfs/dbraw/zinc/93/70/14/923937014.db2.gz SLPYRDSMTPUXNW-KGLIPLIRSA-N 2 2 295.431 -0.278 20 0 CBADLP CN1CC[NH+]([C@H]2CCN(C(=O)NC[C@H]3CC[N@H+]3C)C2)CC1 ZINC001553022425 923937024 /nfs/dbraw/zinc/93/70/24/923937024.db2.gz SLPYRDSMTPUXNW-KGLIPLIRSA-N 2 2 295.431 -0.278 20 0 CBADLP CN(CC[NH+](C)C)C(=O)[C@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001553118155 923942423 /nfs/dbraw/zinc/94/24/23/923942423.db2.gz LFMIUGPBTUXZBP-ZIAGYGMSSA-N 2 2 299.415 -0.114 20 0 CBADLP [NH3+]CCCNC(=O)[C@@H]1CC[C@@H](C[NH+]2CCOCC2)O1 ZINC001553350224 923952758 /nfs/dbraw/zinc/95/27/58/923952758.db2.gz SYSNHJQNNUMESG-RYUDHWBXSA-N 2 2 271.361 -0.669 20 0 CBADLP C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001553351566 923954058 /nfs/dbraw/zinc/95/40/58/923954058.db2.gz ZDEDVEUKDSAIPH-MGPQQGTHSA-N 2 2 297.399 -0.314 20 0 CBADLP C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C[NH+]3CCOCC3)O2)CC[NH2+]1 ZINC001553357253 923960069 /nfs/dbraw/zinc/96/00/69/923960069.db2.gz VHFUXAOEHOAQDB-HZSPNIEDSA-N 2 2 297.399 -0.314 20 0 CBADLP C[C@@H]1C[NH2+]CCN1C(=O)[C@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001553360356 923965133 /nfs/dbraw/zinc/96/51/33/923965133.db2.gz VZTMAXVYUIJCGO-MGPQQGTHSA-N 2 2 297.399 -0.314 20 0 CBADLP O=C(NCCn1cc[nH+]c1)[C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1 ZINC001553404134 923976721 /nfs/dbraw/zinc/97/67/21/923976721.db2.gz CJJNMKMFZFNZIC-VWYCJHECSA-N 2 2 250.302 -0.481 20 0 CBADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)[C@@H]1C[C@H]2OCC[C@H]2[NH2+]1 ZINC001553404126 923977990 /nfs/dbraw/zinc/97/79/90/923977990.db2.gz AMOLRVRXEIHJKJ-ZRUFSTJUSA-N 2 2 289.326 -0.133 20 0 CBADLP O=C(N[C@@H]1C[NH2+]CC(F)(F)C1)[C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1 ZINC001553407559 923979809 /nfs/dbraw/zinc/97/98/09/923979809.db2.gz HJPYEKSERCNAMM-XKNYDFJKSA-N 2 2 275.299 -0.381 20 0 CBADLP COCC[N@@H+]1CCN(C(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)C[C@@H]1C ZINC001553406803 923980122 /nfs/dbraw/zinc/98/01/22/923980122.db2.gz FYVFKPJZYWROSX-XUXIUFHCSA-N 2 2 297.399 -0.315 20 0 CBADLP COCC[N@H+]1CCN(C(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)C[C@@H]1C ZINC001553406803 923980140 /nfs/dbraw/zinc/98/01/40/923980140.db2.gz FYVFKPJZYWROSX-XUXIUFHCSA-N 2 2 297.399 -0.315 20 0 CBADLP CC(C)(CNC(=O)[C@@H]1C[C@H]2OCC[C@H]2[NH2+]1)[NH+]1CCOCC1 ZINC001553409628 923983752 /nfs/dbraw/zinc/98/37/52/923983752.db2.gz NWVJVOKIEYELCY-FRRDWIJNSA-N 2 2 297.399 -0.267 20 0 CBADLP C[C@H](CNC(=O)N1C[C@H]2CC[C@@]2([NH3+])C1)[NH+]1CCOCC1 ZINC001553429609 923996388 /nfs/dbraw/zinc/99/63/88/923996388.db2.gz XCMLSJIHWAKDHT-YRGRVCCFSA-N 2 2 282.388 -0.160 20 0 CBADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001553448113 924002975 /nfs/dbraw/zinc/00/29/75/924002975.db2.gz LPYTZUGGBNUXPN-VNHYZAJKSA-N 2 2 295.431 -0.245 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)N[C@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC001553526206 924022414 /nfs/dbraw/zinc/02/24/14/924022414.db2.gz IFYZLFZUWWKJIJ-HIFRSBDPSA-N 3 2 295.431 -0.007 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)N[C@@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC001553526208 924022923 /nfs/dbraw/zinc/02/29/23/924022923.db2.gz IFYZLFZUWWKJIJ-UKRRQHHQSA-N 3 2 295.431 -0.007 20 0 CBADLP C[N@@H+]1C[C@H](O)[C@@H](NC(=O)[C@H]2CC[NH+]2C2CCCC2)C1 ZINC001553646030 924031397 /nfs/dbraw/zinc/03/13/97/924031397.db2.gz CGZAZTSPJKDREZ-XQQFMLRXSA-N 2 2 267.373 -0.206 20 0 CBADLP C[N@H+]1C[C@H](O)[C@@H](NC(=O)[C@H]2CC[NH+]2C2CCCC2)C1 ZINC001553646030 924031410 /nfs/dbraw/zinc/03/14/10/924031410.db2.gz CGZAZTSPJKDREZ-XQQFMLRXSA-N 2 2 267.373 -0.206 20 0 CBADLP C[NH+]1C[C@H](O)[C@@H](NC(=O)[C@H]2CC[N@@H+]2C2CCCC2)C1 ZINC001553646030 924031424 /nfs/dbraw/zinc/03/14/24/924031424.db2.gz CGZAZTSPJKDREZ-XQQFMLRXSA-N 2 2 267.373 -0.206 20 0 CBADLP C[NH+]1C[C@H](O)[C@@H](NC(=O)[C@H]2CC[N@H+]2C2CCCC2)C1 ZINC001553646030 924031434 /nfs/dbraw/zinc/03/14/34/924031434.db2.gz CGZAZTSPJKDREZ-XQQFMLRXSA-N 2 2 267.373 -0.206 20 0 CBADLP CCN(C)C(=O)C[NH+]1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000350629571 219040684 /nfs/dbraw/zinc/04/06/84/219040684.db2.gz PQEOEFTUFRXRDD-UHFFFAOYSA-N 2 2 298.431 -0.049 20 0 CBADLP CNC(=O)C[NH+]1CCC(NC(=O)N2CC[NH+](C)CC2)CC1 ZINC000337501857 214123239 /nfs/dbraw/zinc/12/32/39/214123239.db2.gz WLRDGMUCCDBWLM-UHFFFAOYSA-N 2 2 297.403 -0.846 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000337972392 214337131 /nfs/dbraw/zinc/33/71/31/214337131.db2.gz CFJKCHDYTBYUBM-VXGBXAGGSA-N 2 2 255.362 -0.394 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@@H](O)C2)CC1 ZINC000337972392 214337132 /nfs/dbraw/zinc/33/71/32/214337132.db2.gz CFJKCHDYTBYUBM-VXGBXAGGSA-N 2 2 255.362 -0.394 20 0 CBADLP C[C@@H](C(=O)NC[C@H](C)[NH+]1CCN(C)CC1)[C@H](C)[NH3+] ZINC000493952268 230340099 /nfs/dbraw/zinc/34/00/99/230340099.db2.gz JGBPCEWULUJWPZ-TUAOUCFPSA-N 2 2 256.394 -0.278 20 0 CBADLP C[C@@H](O)C[NH+]1CCN(C(=O)N[C@H](C)Cn2cc[nH+]c2)CC1 ZINC000350995691 219073422 /nfs/dbraw/zinc/07/34/22/219073422.db2.gz SOOHRYAGQQJFBD-CHWSQXEVSA-N 2 2 295.387 -0.020 20 0 CBADLP CCOC(=O)COCC[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000351492707 219104201 /nfs/dbraw/zinc/10/42/01/219104201.db2.gz RSXVPQJHTOFBBQ-UHFFFAOYSA-N 2 2 288.388 -0.045 20 0 CBADLP CCOC(=O)COCC[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000351492707 219104202 /nfs/dbraw/zinc/10/42/02/219104202.db2.gz RSXVPQJHTOFBBQ-UHFFFAOYSA-N 2 2 288.388 -0.045 20 0 CBADLP C[N@H+]1C[C@@H]2C[NH+](CCC(=O)N3CC[NH+](C)CC3)C[C@@H]2C1 ZINC000366994591 529823658 /nfs/dbraw/zinc/82/36/58/529823658.db2.gz IMXKCTGVPNBZTO-OKILXGFUSA-N 3 2 280.416 -0.356 20 0 CBADLP C[N@@H+]1C[C@@H]2C[NH+](CCC(=O)N3CC[NH+](C)CC3)C[C@@H]2C1 ZINC000366994591 529823660 /nfs/dbraw/zinc/82/36/60/529823660.db2.gz IMXKCTGVPNBZTO-OKILXGFUSA-N 3 2 280.416 -0.356 20 0 CBADLP C[NH+]1C[C@@H]2C[N@@H+](CCC(=O)N3CC[NH+](C)CC3)C[C@@H]2C1 ZINC000366994591 529823662 /nfs/dbraw/zinc/82/36/62/529823662.db2.gz IMXKCTGVPNBZTO-OKILXGFUSA-N 3 2 280.416 -0.356 20 0 CBADLP C[NH+]1C[C@@H]2C[N@H+](CCC(=O)N3CC[NH+](C)CC3)C[C@@H]2C1 ZINC000366994591 529823664 /nfs/dbraw/zinc/82/36/64/529823664.db2.gz IMXKCTGVPNBZTO-OKILXGFUSA-N 3 2 280.416 -0.356 20 0 CBADLP C[C@H](NC(=O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1)C(=O)N(C)C ZINC000351500216 219107439 /nfs/dbraw/zinc/10/74/39/219107439.db2.gz WVZZEPVNHNWAFW-FIQHERPVSA-N 2 2 282.388 -0.752 20 0 CBADLP C[C@H](NC(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1)C(=O)N(C)C ZINC000351500216 219107440 /nfs/dbraw/zinc/10/74/40/219107440.db2.gz WVZZEPVNHNWAFW-FIQHERPVSA-N 2 2 282.388 -0.752 20 0 CBADLP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCCCn1cc[nH+]c1 ZINC000351535234 219117861 /nfs/dbraw/zinc/11/78/61/219117861.db2.gz DRMYCIXAXDSQEJ-NSHDSACASA-N 2 2 279.344 -0.742 20 0 CBADLP C[NH2+]C[C@H](C)C(=O)NC[C@]1([NH+]2CCOCC2)CCCOC1 ZINC000370771465 290706389 /nfs/dbraw/zinc/70/63/89/290706389.db2.gz GQZSYCCZTDDTBL-DZGCQCFKSA-N 2 2 299.415 -0.161 20 0 CBADLP COC[C@](C)(CCO)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000351541080 219120468 /nfs/dbraw/zinc/12/04/68/219120468.db2.gz PNBZFOVKBSZWTA-STQMWFEESA-N 2 2 260.378 -0.181 20 0 CBADLP COC[C@](C)(CCO)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351541080 219120471 /nfs/dbraw/zinc/12/04/71/219120471.db2.gz PNBZFOVKBSZWTA-STQMWFEESA-N 2 2 260.378 -0.181 20 0 CBADLP CNC(=O)[C@H](C)C[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000093178456 529913470 /nfs/dbraw/zinc/91/34/70/529913470.db2.gz CRBGPHBACHRITH-LLVKDONJSA-N 2 2 270.377 -0.926 20 0 CBADLP CNC(=O)[C@H](C)C[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000093178456 529913471 /nfs/dbraw/zinc/91/34/71/529913471.db2.gz CRBGPHBACHRITH-LLVKDONJSA-N 2 2 270.377 -0.926 20 0 CBADLP COC(=O)C[C@H]([NH3+])C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000573562090 334947263 /nfs/dbraw/zinc/94/72/63/334947263.db2.gz LYBIZACSSCKISC-JTQLQIEISA-N 2 2 276.296 -0.159 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@](F)(CO)C2)CC1 ZINC000376501164 530068108 /nfs/dbraw/zinc/06/81/08/530068108.db2.gz KJFKSLGTEZSMCN-CYBMUJFWSA-N 2 2 273.352 -0.443 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@](F)(CO)C2)CC1 ZINC000376501164 530068109 /nfs/dbraw/zinc/06/81/09/530068109.db2.gz KJFKSLGTEZSMCN-CYBMUJFWSA-N 2 2 273.352 -0.443 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CCOC2(C)C)CC1 ZINC000336908147 213781950 /nfs/dbraw/zinc/78/19/50/213781950.db2.gz ZMNJDHIJBKSZOD-NSHDSACASA-N 2 2 255.362 -0.083 20 0 CBADLP C[C@@H]1C[N@H+](C)[C@H](C)CN1C[C@@H](O)C[NH+]1CCOCC1 ZINC000351957402 219264518 /nfs/dbraw/zinc/26/45/18/219264518.db2.gz GGVMPCCRXDMEHH-MCIONIFRSA-N 2 2 271.405 -0.296 20 0 CBADLP C[C@@H]1C[N@@H+](C)[C@H](C)CN1C[C@@H](O)C[NH+]1CCOCC1 ZINC000351957402 219264519 /nfs/dbraw/zinc/26/45/19/219264519.db2.gz GGVMPCCRXDMEHH-MCIONIFRSA-N 2 2 271.405 -0.296 20 0 CBADLP CN(C)S(=O)(=O)CC[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000352030712 219294740 /nfs/dbraw/zinc/29/47/40/219294740.db2.gz XHAODHRJLNQORM-UHFFFAOYSA-N 2 2 293.433 -0.734 20 0 CBADLP CN(C)S(=O)(=O)CC[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000352030712 219294741 /nfs/dbraw/zinc/29/47/41/219294741.db2.gz XHAODHRJLNQORM-UHFFFAOYSA-N 2 2 293.433 -0.734 20 0 CBADLP CC(C)(CNC(=O)C[C@@H]1C[NH2+]CCO1)[NH+]1CCOCC1 ZINC000091310368 180131588 /nfs/dbraw/zinc/13/15/88/180131588.db2.gz KRWGPBIMDZEPLH-GFCCVEGCSA-N 2 2 285.388 -0.408 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000091299612 180125682 /nfs/dbraw/zinc/12/56/82/180125682.db2.gz RFFFWVXLVRYFEJ-WDEREUQCSA-N 2 2 252.318 -0.234 20 0 CBADLP O=C(NCCn1cc[nH+]c1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000339712766 215309628 /nfs/dbraw/zinc/30/96/28/215309628.db2.gz SOLLTNFOXHTLFZ-NSHDSACASA-N 2 2 291.355 -0.648 20 0 CBADLP O=C(NCCn1cc[nH+]c1)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000339712766 215309630 /nfs/dbraw/zinc/30/96/30/215309630.db2.gz SOLLTNFOXHTLFZ-NSHDSACASA-N 2 2 291.355 -0.648 20 0 CBADLP CC1(C)NC(=O)N(CC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1=O ZINC000107580240 186181204 /nfs/dbraw/zinc/18/12/04/186181204.db2.gz ZFIRFUIWXQDTMC-AOOOYVTPSA-N 2 2 266.345 -0.532 20 0 CBADLP CC1(C)NC(=O)N(CC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1=O ZINC000107580240 186181205 /nfs/dbraw/zinc/18/12/05/186181205.db2.gz ZFIRFUIWXQDTMC-AOOOYVTPSA-N 2 2 266.345 -0.532 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NCC[NH+](C)C ZINC000133431587 282715619 /nfs/dbraw/zinc/71/56/19/282715619.db2.gz NQFCNUMBBUNZND-NSHDSACASA-N 2 2 258.366 -0.432 20 0 CBADLP CC(C)(CNC(=O)[C@@H]1CCC[NH2+]1)[NH+]1CCOCC1 ZINC000011954499 351332385 /nfs/dbraw/zinc/33/23/85/351332385.db2.gz BYHZEKULUGWDJW-NSHDSACASA-N 2 2 255.362 -0.035 20 0 CBADLP O=C(NCC[NH+]1CCOCC1)c1[nH]nc2c1C[NH2+]CC2 ZINC000034789302 351384283 /nfs/dbraw/zinc/38/42/83/351384283.db2.gz NHFDTVIYZAVAAV-UHFFFAOYSA-N 2 2 279.344 -0.883 20 0 CBADLP CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)C1CC[NH2+]CC1 ZINC000036301607 351390892 /nfs/dbraw/zinc/39/08/92/351390892.db2.gz MSVICBLNNZVUBC-SECBINFHSA-N 2 2 256.350 -0.096 20 0 CBADLP CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)C1CC[NH2+]CC1 ZINC000036301607 351390896 /nfs/dbraw/zinc/39/08/96/351390896.db2.gz MSVICBLNNZVUBC-SECBINFHSA-N 2 2 256.350 -0.096 20 0 CBADLP [NH3+]C1CC[NH+](CCn2nc3ccccn3c2=O)CC1 ZINC000036754365 351392466 /nfs/dbraw/zinc/39/24/66/351392466.db2.gz SHKVBEQGQXFYAY-UHFFFAOYSA-N 2 2 261.329 -0.081 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC000339797337 215342577 /nfs/dbraw/zinc/34/25/77/215342577.db2.gz KHONRTAOSJNTJY-LBPRGKRZSA-N 2 2 255.362 -0.129 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)[C@@H]1CCC[N@H+]1C ZINC000339797337 215342581 /nfs/dbraw/zinc/34/25/81/215342581.db2.gz KHONRTAOSJNTJY-LBPRGKRZSA-N 2 2 255.362 -0.129 20 0 CBADLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1cn(C)c(=O)n(C)c1=O ZINC000020091996 351353075 /nfs/dbraw/zinc/35/30/75/351353075.db2.gz SCROFXDRCJGVHA-LBPRGKRZSA-N 2 2 280.372 -0.342 20 0 CBADLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1cn(C)c(=O)n(C)c1=O ZINC000020091996 351353079 /nfs/dbraw/zinc/35/30/79/351353079.db2.gz SCROFXDRCJGVHA-LBPRGKRZSA-N 2 2 280.372 -0.342 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000042166535 351428251 /nfs/dbraw/zinc/42/82/51/351428251.db2.gz CZJPEGMLSJWXMV-NEPJUHHUSA-N 2 2 255.362 -0.035 20 0 CBADLP CC(C)(CNC(=O)[C@@H]1CSC[NH2+]1)[NH+]1CCOCC1 ZINC000040805158 351419561 /nfs/dbraw/zinc/41/95/61/351419561.db2.gz ZXWMFKZNZUBSEU-JTQLQIEISA-N 2 2 273.402 -0.124 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](CO)C2)CC1 ZINC000049774061 351495652 /nfs/dbraw/zinc/49/56/52/351495652.db2.gz HUKBVIZHPWNVDQ-GFCCVEGCSA-N 2 2 255.362 -0.535 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](CO)C2)CC1 ZINC000049774061 351495656 /nfs/dbraw/zinc/49/56/56/351495656.db2.gz HUKBVIZHPWNVDQ-GFCCVEGCSA-N 2 2 255.362 -0.535 20 0 CBADLP COC(=O)[C@H](C)C[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000050068767 351498697 /nfs/dbraw/zinc/49/86/97/351498697.db2.gz ZZCUIPPCVFLAKB-LLVKDONJSA-N 2 2 271.361 -0.499 20 0 CBADLP COC(=O)[C@H](C)C[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000050068767 351498700 /nfs/dbraw/zinc/49/87/00/351498700.db2.gz ZZCUIPPCVFLAKB-LLVKDONJSA-N 2 2 271.361 -0.499 20 0 CBADLP C[C@H](Cn1cccn1)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000049076287 351485240 /nfs/dbraw/zinc/48/52/40/351485240.db2.gz OLIRRFLMOCCJIZ-GFCCVEGCSA-N 2 2 265.361 -0.365 20 0 CBADLP C[N@H+](CCNC[C@@H](O)C[NH+]1CCOCC1)C1CC1 ZINC000061996761 351573852 /nfs/dbraw/zinc/57/38/52/351573852.db2.gz OGBMABGUJSRZLN-CYBMUJFWSA-N 2 2 257.378 -0.637 20 0 CBADLP C[N@@H+](CCNC[C@@H](O)C[NH+]1CCOCC1)C1CC1 ZINC000061996761 351573855 /nfs/dbraw/zinc/57/38/55/351573855.db2.gz OGBMABGUJSRZLN-CYBMUJFWSA-N 2 2 257.378 -0.637 20 0 CBADLP O=C(C[NH2+]CC1CC1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000062976783 351577805 /nfs/dbraw/zinc/57/78/05/351577805.db2.gz FAYVKMXCDRLPKD-ZDUSSCGKSA-N 2 2 267.373 -0.081 20 0 CBADLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCN1C(=O)CNC1=O ZINC000063195068 351582016 /nfs/dbraw/zinc/58/20/16/351582016.db2.gz ANKLWPHNDGFLKU-UWVGGRQHSA-N 2 2 254.334 -0.260 20 0 CBADLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1CCN1C(=O)CNC1=O ZINC000063195068 351582019 /nfs/dbraw/zinc/58/20/19/351582019.db2.gz ANKLWPHNDGFLKU-UWVGGRQHSA-N 2 2 254.334 -0.260 20 0 CBADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC000072858414 351651148 /nfs/dbraw/zinc/65/11/48/351651148.db2.gz OSFSSSXBHDZDCX-GFCCVEGCSA-N 2 2 294.399 -0.142 20 0 CBADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC000072858414 351651152 /nfs/dbraw/zinc/65/11/52/351651152.db2.gz OSFSSSXBHDZDCX-GFCCVEGCSA-N 2 2 294.399 -0.142 20 0 CBADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC000072858414 351651155 /nfs/dbraw/zinc/65/11/55/351651155.db2.gz OSFSSSXBHDZDCX-GFCCVEGCSA-N 2 2 294.399 -0.142 20 0 CBADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC000072858414 351651156 /nfs/dbraw/zinc/65/11/56/351651156.db2.gz OSFSSSXBHDZDCX-GFCCVEGCSA-N 2 2 294.399 -0.142 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000081257322 351704327 /nfs/dbraw/zinc/70/43/27/351704327.db2.gz CPEJQGFWHMUAFR-WDEREUQCSA-N 2 2 252.318 -0.282 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000081257322 351704329 /nfs/dbraw/zinc/70/43/29/351704329.db2.gz CPEJQGFWHMUAFR-WDEREUQCSA-N 2 2 252.318 -0.282 20 0 CBADLP C[NH+](C)CCN1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000081354832 351705522 /nfs/dbraw/zinc/70/55/22/351705522.db2.gz XUTLEPSASLDSIL-CQSZACIVSA-N 2 2 298.431 -0.587 20 0 CBADLP C[NH+](C)CCN1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000081354832 351705527 /nfs/dbraw/zinc/70/55/27/351705527.db2.gz XUTLEPSASLDSIL-CQSZACIVSA-N 2 2 298.431 -0.587 20 0 CBADLP CC(C)[NH+]1CCN(C[C@H](O)C[NH+]2CCOCC2)CC1 ZINC000075673090 351670116 /nfs/dbraw/zinc/67/01/16/351670116.db2.gz BUSPIPIHAOSMFH-AWEZNQCLSA-N 2 2 271.405 -0.295 20 0 CBADLP O=C([C@H]1COCC[NH2+]1)N1CC[NH+](CC2CC2)CC1 ZINC000088370896 351724549 /nfs/dbraw/zinc/72/45/49/351724549.db2.gz DUMHICGXBJYSSV-GFCCVEGCSA-N 2 2 253.346 -0.471 20 0 CBADLP O=C([C@@H]1COCC[NH2+]1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000088372404 351725074 /nfs/dbraw/zinc/72/50/74/351725074.db2.gz WRKIRLFDLLXRMC-NEPJUHHUSA-N 2 2 253.346 -0.329 20 0 CBADLP C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCCC[NH2+]2)C1 ZINC000091669052 351745694 /nfs/dbraw/zinc/74/56/94/351745694.db2.gz DRMIVZOUEYEJMG-RYUDHWBXSA-N 2 2 255.362 -0.035 20 0 CBADLP C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCCC[NH2+]2)C1 ZINC000091669052 351745697 /nfs/dbraw/zinc/74/56/97/351745697.db2.gz DRMIVZOUEYEJMG-RYUDHWBXSA-N 2 2 255.362 -0.035 20 0 CBADLP C[NH2+]C[C@H](C)C(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC000092134648 351748119 /nfs/dbraw/zinc/74/81/19/351748119.db2.gz UFMKLBRRMCMPBL-LBPRGKRZSA-N 2 2 284.404 -0.536 20 0 CBADLP C[NH2+]C[C@H](C)C(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC000092134648 351748122 /nfs/dbraw/zinc/74/81/22/351748122.db2.gz UFMKLBRRMCMPBL-LBPRGKRZSA-N 2 2 284.404 -0.536 20 0 CBADLP CCNC(=O)CC[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000103150571 351785840 /nfs/dbraw/zinc/78/58/40/351785840.db2.gz BGFLLWDAVOVIML-UHFFFAOYSA-N 2 2 296.415 -0.247 20 0 CBADLP CCN(CC(=O)NC(C)C)C(=O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107576985 351794604 /nfs/dbraw/zinc/79/46/04/351794604.db2.gz TZQVLOJZUDWWOR-BETUJISGSA-N 2 2 296.415 -0.489 20 0 CBADLP CCN(CC(=O)NC(C)C)C(=O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107576985 351794608 /nfs/dbraw/zinc/79/46/08/351794608.db2.gz TZQVLOJZUDWWOR-BETUJISGSA-N 2 2 296.415 -0.489 20 0 CBADLP CCOC(=O)CCCNC(=O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000107574436 351795043 /nfs/dbraw/zinc/79/50/43/351795043.db2.gz GNEWRJBACCGPIS-RYUDHWBXSA-N 2 2 283.372 -0.403 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)CC1 ZINC000093191218 351757456 /nfs/dbraw/zinc/75/74/56/351757456.db2.gz FJMVCKWBWPDRBE-QWHCGFSZSA-N 2 2 299.440 -0.033 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CCS[C@@H]3COCC[C@@H]32)CC1 ZINC000093191218 351757462 /nfs/dbraw/zinc/75/74/62/351757462.db2.gz FJMVCKWBWPDRBE-QWHCGFSZSA-N 2 2 299.440 -0.033 20 0 CBADLP C[C@H]1OCC[N@H+](CC(=O)N2CC[NH+](C)CC2)[C@@H]1C ZINC000093190776 351758721 /nfs/dbraw/zinc/75/87/21/351758721.db2.gz PYGDTDCYAXUSDA-VXGBXAGGSA-N 2 2 255.362 -0.130 20 0 CBADLP C[C@H]1OCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)[C@@H]1C ZINC000093190776 351758725 /nfs/dbraw/zinc/75/87/25/351758725.db2.gz PYGDTDCYAXUSDA-VXGBXAGGSA-N 2 2 255.362 -0.130 20 0 CBADLP CC[C@H]1COCC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000093174458 351758753 /nfs/dbraw/zinc/75/87/53/351758753.db2.gz IQZGWLZTSLCMOF-LBPRGKRZSA-N 2 2 255.362 -0.129 20 0 CBADLP CC[C@H]1COCC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000093174458 351758756 /nfs/dbraw/zinc/75/87/56/351758756.db2.gz IQZGWLZTSLCMOF-LBPRGKRZSA-N 2 2 255.362 -0.129 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[N@H+](C)CC(C)(C)C[NH3+] ZINC000093874304 351761986 /nfs/dbraw/zinc/76/19/86/351761986.db2.gz QPLNJFWTTODLSE-UHFFFAOYSA-N 2 2 286.420 -0.112 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000093874304 351761988 /nfs/dbraw/zinc/76/19/88/351761988.db2.gz QPLNJFWTTODLSE-UHFFFAOYSA-N 2 2 286.420 -0.112 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000094341182 351763486 /nfs/dbraw/zinc/76/34/86/351763486.db2.gz KXPPXPPOEPXEJA-NEPJUHHUSA-N 2 2 284.404 -0.360 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000094341182 351763491 /nfs/dbraw/zinc/76/34/91/351763491.db2.gz KXPPXPPOEPXEJA-NEPJUHHUSA-N 2 2 284.404 -0.360 20 0 CBADLP C[N@H+](CCCn1cc[nH+]c1)CCNS(C)(=O)=O ZINC000119742662 351835672 /nfs/dbraw/zinc/83/56/72/351835672.db2.gz ZABDZPKAVFZUQB-UHFFFAOYSA-N 2 2 260.363 -0.246 20 0 CBADLP C[N@@H+](CCCn1cc[nH+]c1)CCNS(C)(=O)=O ZINC000119742662 351835674 /nfs/dbraw/zinc/83/56/74/351835674.db2.gz ZABDZPKAVFZUQB-UHFFFAOYSA-N 2 2 260.363 -0.246 20 0 CBADLP C[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000113516317 351814724 /nfs/dbraw/zinc/81/47/24/351814724.db2.gz IGOGFMUDSNGNKJ-JTQLQIEISA-N 2 2 268.361 -0.142 20 0 CBADLP C[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000113516317 351814727 /nfs/dbraw/zinc/81/47/27/351814727.db2.gz IGOGFMUDSNGNKJ-JTQLQIEISA-N 2 2 268.361 -0.142 20 0 CBADLP C[NH+](C)C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H](C(N)=O)C2)C1 ZINC000113512531 351815154 /nfs/dbraw/zinc/81/51/54/351815154.db2.gz OCZPZRMMAPWRMT-OLZOCXBDSA-N 2 2 296.415 -0.406 20 0 CBADLP C[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H](C(N)=O)C2)C1 ZINC000113512531 351815156 /nfs/dbraw/zinc/81/51/56/351815156.db2.gz OCZPZRMMAPWRMT-OLZOCXBDSA-N 2 2 296.415 -0.406 20 0 CBADLP C[NH+](C)C[C@H]1CC[N@H+](CC(=O)N2CCNC2=O)C1 ZINC000114480124 351816889 /nfs/dbraw/zinc/81/68/89/351816889.db2.gz CBUSFCZYYSJCMT-SNVBAGLBSA-N 2 2 254.334 -0.578 20 0 CBADLP C[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N2CCNC2=O)C1 ZINC000114480124 351816891 /nfs/dbraw/zinc/81/68/91/351816891.db2.gz CBUSFCZYYSJCMT-SNVBAGLBSA-N 2 2 254.334 -0.578 20 0 CBADLP CC(C)(CNC(=O)C[N@@H+]1CC[C@@H](O)C1)[NH+]1CCOCC1 ZINC000114485747 351817894 /nfs/dbraw/zinc/81/78/94/351817894.db2.gz ZFVGXULUDZCWSG-GFCCVEGCSA-N 2 2 285.388 -0.720 20 0 CBADLP CC(C)(CNC(=O)C[N@H+]1CC[C@@H](O)C1)[NH+]1CCOCC1 ZINC000114485747 351817900 /nfs/dbraw/zinc/81/79/00/351817900.db2.gz ZFVGXULUDZCWSG-GFCCVEGCSA-N 2 2 285.388 -0.720 20 0 CBADLP C[N@@H+]1CCN(C(=O)CCn2cccn2)[C@H](C[NH3+])C1 ZINC000122617717 351852943 /nfs/dbraw/zinc/85/29/43/351852943.db2.gz AHWVKDSEGXBUAB-LLVKDONJSA-N 2 2 251.334 -0.626 20 0 CBADLP C[N@H+]1CCN(C(=O)CCn2cccn2)[C@H](C[NH3+])C1 ZINC000122617717 351852945 /nfs/dbraw/zinc/85/29/45/351852945.db2.gz AHWVKDSEGXBUAB-LLVKDONJSA-N 2 2 251.334 -0.626 20 0 CBADLP C[C@@H]1C[C@@H]([NH+](C)CC(=O)N2CCNC2=O)CC[N@@H+]1C ZINC000123170744 187075436 /nfs/dbraw/zinc/07/54/36/187075436.db2.gz RILCUHWSFCSHIQ-MNOVXSKESA-N 2 2 268.361 -0.047 20 0 CBADLP C[C@@H]1C[C@@H]([NH+](C)CC(=O)N2CCNC2=O)CC[N@H+]1C ZINC000123170744 187075437 /nfs/dbraw/zinc/07/54/37/187075437.db2.gz RILCUHWSFCSHIQ-MNOVXSKESA-N 2 2 268.361 -0.047 20 0 CBADLP C[C@@H]1C[C@@H]([N@H+](C)CC(=O)N2CCNC2=O)CC[NH+]1C ZINC000123170744 187075438 /nfs/dbraw/zinc/07/54/38/187075438.db2.gz RILCUHWSFCSHIQ-MNOVXSKESA-N 2 2 268.361 -0.047 20 0 CBADLP C[C@@H]1C[C@@H]([N@@H+](C)CC(=O)N2CCNC2=O)CC[NH+]1C ZINC000123170744 187075439 /nfs/dbraw/zinc/07/54/39/187075439.db2.gz RILCUHWSFCSHIQ-MNOVXSKESA-N 2 2 268.361 -0.047 20 0 CBADLP C[C@@H]1C[C@H]([NH+](C)CC(=O)N2CCNC2=O)CC[N@@H+]1C ZINC000123170333 187075683 /nfs/dbraw/zinc/07/56/83/187075683.db2.gz RILCUHWSFCSHIQ-GHMZBOCLSA-N 2 2 268.361 -0.047 20 0 CBADLP C[C@@H]1C[C@H]([NH+](C)CC(=O)N2CCNC2=O)CC[N@H+]1C ZINC000123170333 187075684 /nfs/dbraw/zinc/07/56/84/187075684.db2.gz RILCUHWSFCSHIQ-GHMZBOCLSA-N 2 2 268.361 -0.047 20 0 CBADLP C[C@@H]1C[C@H]([N@H+](C)CC(=O)N2CCNC2=O)CC[NH+]1C ZINC000123170333 187075685 /nfs/dbraw/zinc/07/56/85/187075685.db2.gz RILCUHWSFCSHIQ-GHMZBOCLSA-N 2 2 268.361 -0.047 20 0 CBADLP C[C@@H]1C[C@H]([N@@H+](C)CC(=O)N2CCNC2=O)CC[NH+]1C ZINC000123170333 187075686 /nfs/dbraw/zinc/07/56/86/187075686.db2.gz RILCUHWSFCSHIQ-GHMZBOCLSA-N 2 2 268.361 -0.047 20 0 CBADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC000124558078 351855658 /nfs/dbraw/zinc/85/56/58/351855658.db2.gz ZYBLKYJNNMWTHQ-VHSXEESVSA-N 2 2 266.345 -0.604 20 0 CBADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC000124558078 351855660 /nfs/dbraw/zinc/85/56/60/351855660.db2.gz ZYBLKYJNNMWTHQ-VHSXEESVSA-N 2 2 266.345 -0.604 20 0 CBADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)NC(=O)NC1CC1 ZINC000124581888 351855698 /nfs/dbraw/zinc/85/56/98/351855698.db2.gz YKFHINZZWQCWPM-BDAKNGLRSA-N 2 2 254.334 -0.214 20 0 CBADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)NC(=O)NC1CC1 ZINC000124581888 351855700 /nfs/dbraw/zinc/85/57/00/351855700.db2.gz YKFHINZZWQCWPM-BDAKNGLRSA-N 2 2 254.334 -0.214 20 0 CBADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000120583646 351841465 /nfs/dbraw/zinc/84/14/65/351841465.db2.gz XIZAHVDQEPQTSJ-LBPRGKRZSA-N 2 2 282.388 -0.687 20 0 CBADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000120583646 351841466 /nfs/dbraw/zinc/84/14/66/351841466.db2.gz XIZAHVDQEPQTSJ-LBPRGKRZSA-N 2 2 282.388 -0.687 20 0 CBADLP CCCC[N@H+](CC(N)=O)CC(=O)N1CC[NH+](C)CC1 ZINC000120703053 351842252 /nfs/dbraw/zinc/84/22/52/351842252.db2.gz MKJNWWUHIZTDSU-UHFFFAOYSA-N 2 2 270.377 -0.652 20 0 CBADLP CCCC[N@@H+](CC(N)=O)CC(=O)N1CC[NH+](C)CC1 ZINC000120703053 351842253 /nfs/dbraw/zinc/84/22/53/351842253.db2.gz MKJNWWUHIZTDSU-UHFFFAOYSA-N 2 2 270.377 -0.652 20 0 CBADLP CC[N@H+](C)CCNC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000120759359 351843425 /nfs/dbraw/zinc/84/34/25/351843425.db2.gz VLFDHGYIWSWMQL-GFCCVEGCSA-N 2 2 272.393 -0.042 20 0 CBADLP CC[N@@H+](C)CCNC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000120759359 351843430 /nfs/dbraw/zinc/84/34/30/351843430.db2.gz VLFDHGYIWSWMQL-GFCCVEGCSA-N 2 2 272.393 -0.042 20 0 CBADLP CNC(=O)C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000121302277 351847659 /nfs/dbraw/zinc/84/76/59/351847659.db2.gz UIUPWFRLVDVZHD-UHFFFAOYSA-N 2 2 296.415 -0.392 20 0 CBADLP CC(=O)N1CCN(C(=O)C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)CC1 ZINC000129179302 351868344 /nfs/dbraw/zinc/86/83/44/351868344.db2.gz VJSUJBCFXOUWPN-DGCLKSJQSA-N 2 2 282.388 -0.511 20 0 CBADLP CC(=O)N1CCN(C(=O)C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)CC1 ZINC000129179302 351868347 /nfs/dbraw/zinc/86/83/47/351868347.db2.gz VJSUJBCFXOUWPN-DGCLKSJQSA-N 2 2 282.388 -0.511 20 0 CBADLP CC(=O)N1CCN(C(=O)C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)CC1 ZINC000129180019 351868392 /nfs/dbraw/zinc/86/83/92/351868392.db2.gz VJSUJBCFXOUWPN-AAEUAGOBSA-N 2 2 282.388 -0.511 20 0 CBADLP CC(=O)N1CCN(C(=O)C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)CC1 ZINC000129180019 351868396 /nfs/dbraw/zinc/86/83/96/351868396.db2.gz VJSUJBCFXOUWPN-AAEUAGOBSA-N 2 2 282.388 -0.511 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000129127643 351868847 /nfs/dbraw/zinc/86/88/47/351868847.db2.gz LKXVSINCSHAUSF-NWDGAFQWSA-N 2 2 284.404 -0.217 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000129127643 351868850 /nfs/dbraw/zinc/86/88/50/351868850.db2.gz LKXVSINCSHAUSF-NWDGAFQWSA-N 2 2 284.404 -0.217 20 0 CBADLP C[C@H]1C[C@@H]([NH+](C)CC(=O)N2CCNC(=O)C2)CC[N@@H+]1C ZINC000123837787 187111163 /nfs/dbraw/zinc/11/11/63/187111163.db2.gz XIOAMPSUSGEERT-RYUDHWBXSA-N 2 2 282.388 -0.641 20 0 CBADLP C[C@H]1C[C@@H]([NH+](C)CC(=O)N2CCNC(=O)C2)CC[N@H+]1C ZINC000123837787 187111164 /nfs/dbraw/zinc/11/11/64/187111164.db2.gz XIOAMPSUSGEERT-RYUDHWBXSA-N 2 2 282.388 -0.641 20 0 CBADLP C[C@H]1C[C@@H]([N@H+](C)CC(=O)N2CCNC(=O)C2)CC[NH+]1C ZINC000123837787 187111165 /nfs/dbraw/zinc/11/11/65/187111165.db2.gz XIOAMPSUSGEERT-RYUDHWBXSA-N 2 2 282.388 -0.641 20 0 CBADLP C[C@H]1C[C@@H]([N@@H+](C)CC(=O)N2CCNC(=O)C2)CC[NH+]1C ZINC000123837787 187111166 /nfs/dbraw/zinc/11/11/66/187111166.db2.gz XIOAMPSUSGEERT-RYUDHWBXSA-N 2 2 282.388 -0.641 20 0 CBADLP CCOCC[NH+]1CCN(C(=O)C[NH2+]C2CC2)CC1 ZINC000154622594 351947399 /nfs/dbraw/zinc/94/73/99/351947399.db2.gz ARNQVRYAJIBODK-UHFFFAOYSA-N 2 2 255.362 -0.081 20 0 CBADLP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)N3CCNC3=O)CC[C@@H]21 ZINC000139939366 351924549 /nfs/dbraw/zinc/92/45/49/351924549.db2.gz TWOFLYQSWSIHBJ-RYUDHWBXSA-N 2 2 280.372 -0.046 20 0 CBADLP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)N3CCNC3=O)CC[C@@H]21 ZINC000139939366 351924553 /nfs/dbraw/zinc/92/45/53/351924553.db2.gz TWOFLYQSWSIHBJ-RYUDHWBXSA-N 2 2 280.372 -0.046 20 0 CBADLP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)N3CCNC3=O)CC[C@@H]21 ZINC000139939366 351924556 /nfs/dbraw/zinc/92/45/56/351924556.db2.gz TWOFLYQSWSIHBJ-RYUDHWBXSA-N 2 2 280.372 -0.046 20 0 CBADLP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)N3CCNC3=O)CC[C@@H]21 ZINC000139939366 351924559 /nfs/dbraw/zinc/92/45/59/351924559.db2.gz TWOFLYQSWSIHBJ-RYUDHWBXSA-N 2 2 280.372 -0.046 20 0 CBADLP CC(=O)NCCC[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000142809489 351925315 /nfs/dbraw/zinc/92/53/15/351925315.db2.gz BTYXSVNHGKLZAF-UHFFFAOYSA-N 2 2 270.377 -0.782 20 0 CBADLP O=C(C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)N1CCNC(=O)C1 ZINC000150792545 351932247 /nfs/dbraw/zinc/93/22/47/351932247.db2.gz LMTIWSJYSDUGEV-ZDUSSCGKSA-N 2 2 294.399 -0.638 20 0 CBADLP O=C(C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)N1CCNC(=O)C1 ZINC000150792545 351932250 /nfs/dbraw/zinc/93/22/50/351932250.db2.gz LMTIWSJYSDUGEV-ZDUSSCGKSA-N 2 2 294.399 -0.638 20 0 CBADLP C[C@@H](C(=O)NC[C@](C)(O)C[NH+](C)C)[NH+]1CCSCC1 ZINC000152846137 351939930 /nfs/dbraw/zinc/93/99/30/351939930.db2.gz XJSAESSVPVDFMH-AAEUAGOBSA-N 2 2 289.445 -0.148 20 0 CBADLP CC[C@@H]([NH3+])C(=O)N1CC[NH+]([C@@H](C)CC(=O)OC)CC1 ZINC000152879252 351941680 /nfs/dbraw/zinc/94/16/80/351941680.db2.gz HWAAUBLLKBZYTM-WDEREUQCSA-N 2 2 271.361 -0.181 20 0 CBADLP CSCC[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000131270856 351885106 /nfs/dbraw/zinc/88/51/06/351885106.db2.gz ZSADYVGROYMPEP-NXEZZACHSA-N 2 2 261.391 -0.486 20 0 CBADLP CSCC[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000131270856 351885108 /nfs/dbraw/zinc/88/51/08/351885108.db2.gz ZSADYVGROYMPEP-NXEZZACHSA-N 2 2 261.391 -0.486 20 0 CBADLP COc1c(N)[nH+]cnc1NC[C@@H]1C[N@H+](C)CCN1C ZINC000134895204 351910165 /nfs/dbraw/zinc/91/01/65/351910165.db2.gz AXBWATJFVRGMII-SECBINFHSA-N 2 2 266.349 -0.275 20 0 CBADLP COc1c(N)[nH+]cnc1NC[C@@H]1C[N@@H+](C)CCN1C ZINC000134895204 351910168 /nfs/dbraw/zinc/91/01/68/351910168.db2.gz AXBWATJFVRGMII-SECBINFHSA-N 2 2 266.349 -0.275 20 0 CBADLP Cc1ccc(C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c(=O)[nH]1 ZINC000156792028 351953775 /nfs/dbraw/zinc/95/37/75/351953775.db2.gz ZYVHDYFWNXMZBP-JTQLQIEISA-N 2 2 264.329 -0.602 20 0 CBADLP CC(C)(CNC(=O)C[N@@H+]1CC[C@@H](CO)C1)[NH+]1CCOCC1 ZINC000157400976 351955715 /nfs/dbraw/zinc/95/57/15/351955715.db2.gz JCYTUPCDSAKDCR-CYBMUJFWSA-N 2 2 299.415 -0.472 20 0 CBADLP CC(C)(CNC(=O)C[N@H+]1CC[C@@H](CO)C1)[NH+]1CCOCC1 ZINC000157400976 351955720 /nfs/dbraw/zinc/95/57/20/351955720.db2.gz JCYTUPCDSAKDCR-CYBMUJFWSA-N 2 2 299.415 -0.472 20 0 CBADLP CCNC(=O)NC(=O)[C@H](C)[N@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000160084633 351967759 /nfs/dbraw/zinc/96/77/59/351967759.db2.gz PMDBWYKDNNXOFK-WPRPVWTQSA-N 2 2 256.350 -0.110 20 0 CBADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000160084633 351967762 /nfs/dbraw/zinc/96/77/62/351967762.db2.gz PMDBWYKDNNXOFK-WPRPVWTQSA-N 2 2 256.350 -0.110 20 0 CBADLP C[C@@H](CNC(=O)[C@@]1(F)CC[NH2+]C1)[NH+]1CCOCC1 ZINC000164916054 351984649 /nfs/dbraw/zinc/98/46/49/351984649.db2.gz DICFQOZWAPLTPI-CMPLNLGQSA-N 2 2 259.325 -0.475 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1COCC[NH2+]1)C[NH+]1CCOCC1 ZINC000166592572 351987704 /nfs/dbraw/zinc/98/77/04/351987704.db2.gz YTSFZFBGWLLPCK-RYUDHWBXSA-N 2 2 271.361 -0.941 20 0 CBADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)[C@@H]1CC[NH2+]C1 ZINC000167531807 351989878 /nfs/dbraw/zinc/98/98/78/351989878.db2.gz UCKOJTBCVBPNEZ-GFCCVEGCSA-N 2 2 293.371 -0.237 20 0 CBADLP CC(C)C[N@@H+]1CC[C@H](CNC(=O)CN2CC[NH2+]CC2=O)C1 ZINC000168724684 351994641 /nfs/dbraw/zinc/99/46/41/351994641.db2.gz MKOUYGOOYZGTGM-CYBMUJFWSA-N 2 2 296.415 -0.488 20 0 CBADLP CC(C)C[N@H+]1CC[C@H](CNC(=O)CN2CC[NH2+]CC2=O)C1 ZINC000168724684 351994645 /nfs/dbraw/zinc/99/46/45/351994645.db2.gz MKOUYGOOYZGTGM-CYBMUJFWSA-N 2 2 296.415 -0.488 20 0 CBADLP CC[NH+]1CCC(CCNC(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000168714449 351994763 /nfs/dbraw/zinc/99/47/63/351994763.db2.gz HRFXPDHVSZDWMM-UHFFFAOYSA-N 2 2 296.415 -0.344 20 0 CBADLP C[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000171604646 352013752 /nfs/dbraw/zinc/01/37/52/352013752.db2.gz GZAUIDMIUQPAMN-VXGBXAGGSA-N 2 2 255.362 -0.394 20 0 CBADLP C[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000171604646 352013755 /nfs/dbraw/zinc/01/37/55/352013755.db2.gz GZAUIDMIUQPAMN-VXGBXAGGSA-N 2 2 255.362 -0.394 20 0 CBADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000171604643 352013807 /nfs/dbraw/zinc/01/38/07/352013807.db2.gz GZAUIDMIUQPAMN-NWDGAFQWSA-N 2 2 255.362 -0.394 20 0 CBADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000171604643 352013810 /nfs/dbraw/zinc/01/38/10/352013810.db2.gz GZAUIDMIUQPAMN-NWDGAFQWSA-N 2 2 255.362 -0.394 20 0 CBADLP C[NH+](C)CC(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000174195406 352045914 /nfs/dbraw/zinc/04/59/14/352045914.db2.gz LKPKJZWMQFNLFL-GFCCVEGCSA-N 2 2 255.362 -0.271 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000174672521 352050045 /nfs/dbraw/zinc/05/00/45/352050045.db2.gz CQMFAZCBHUUVRX-GFCCVEGCSA-N 2 2 285.388 -0.768 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000174672521 352050048 /nfs/dbraw/zinc/05/00/48/352050048.db2.gz CQMFAZCBHUUVRX-GFCCVEGCSA-N 2 2 285.388 -0.768 20 0 CBADLP C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C[NH+]1CCOCC1 ZINC000175103416 352053572 /nfs/dbraw/zinc/05/35/72/352053572.db2.gz PPYSUQZQRGCOPW-CHWSQXEVSA-N 2 2 285.388 -0.599 20 0 CBADLP C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C[NH+]1CCOCC1 ZINC000175103416 352053576 /nfs/dbraw/zinc/05/35/76/352053576.db2.gz PPYSUQZQRGCOPW-CHWSQXEVSA-N 2 2 285.388 -0.599 20 0 CBADLP CC(C)N(C)C(=O)[C@H](C)[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000175085948 352053680 /nfs/dbraw/zinc/05/36/80/352053680.db2.gz QFGZPKMDDDQWBW-ZDUSSCGKSA-N 2 2 298.431 -0.053 20 0 CBADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000175382135 352056107 /nfs/dbraw/zinc/05/61/07/352056107.db2.gz WBHUHQYQOFXCDO-LLVKDONJSA-N 2 2 271.361 -0.356 20 0 CBADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@H]2COCCO2)CC1 ZINC000177144980 352070994 /nfs/dbraw/zinc/07/09/94/352070994.db2.gz BUHFSOOKSZWLTJ-CYBMUJFWSA-N 2 2 285.388 -0.456 20 0 CBADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H]2COCCO2)CC1 ZINC000177144965 352071964 /nfs/dbraw/zinc/07/19/64/352071964.db2.gz BUHFSOOKSZWLTJ-ZDUSSCGKSA-N 2 2 285.388 -0.456 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCCC[C@@]2(C)C(N)=O)CC1 ZINC000185883961 352121414 /nfs/dbraw/zinc/12/14/14/352121414.db2.gz QLTCALMOTUOVDJ-AWEZNQCLSA-N 2 2 282.388 -0.510 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CCCC[C@@]2(C)C(N)=O)CC1 ZINC000185883961 352121415 /nfs/dbraw/zinc/12/14/15/352121415.db2.gz QLTCALMOTUOVDJ-AWEZNQCLSA-N 2 2 282.388 -0.510 20 0 CBADLP CC[C@H](C(=O)N1CC[N@H+](CCO)[C@H](C)C1)[NH+](C)C ZINC000187287745 352137121 /nfs/dbraw/zinc/13/71/21/352137121.db2.gz QSQBJKSVLSDDGS-VXGBXAGGSA-N 2 2 257.378 -0.148 20 0 CBADLP CC[C@H](C(=O)N1CC[N@@H+](CCO)[C@H](C)C1)[NH+](C)C ZINC000187287745 352137125 /nfs/dbraw/zinc/13/71/25/352137125.db2.gz QSQBJKSVLSDDGS-VXGBXAGGSA-N 2 2 257.378 -0.148 20 0 CBADLP O=C([C@@H]1COCC[NH2+]1)N1CCC[N@@H+](C2CC2)CC1 ZINC000178747016 352082476 /nfs/dbraw/zinc/08/24/76/352082476.db2.gz VWOUVUFYOCGILD-LBPRGKRZSA-N 2 2 253.346 -0.329 20 0 CBADLP O=C([C@@H]1COCC[NH2+]1)N1CCC[N@H+](C2CC2)CC1 ZINC000178747016 352082478 /nfs/dbraw/zinc/08/24/78/352082478.db2.gz VWOUVUFYOCGILD-LBPRGKRZSA-N 2 2 253.346 -0.329 20 0 CBADLP CC1(C)C[N@H+](CCNC(=O)[C@H]2CCC[NH2+]2)CCO1 ZINC000178744799 352083096 /nfs/dbraw/zinc/08/30/96/352083096.db2.gz GVRWLWVSIGJPOT-LLVKDONJSA-N 2 2 255.362 -0.035 20 0 CBADLP CC1(C)C[N@@H+](CCNC(=O)[C@H]2CCC[NH2+]2)CCO1 ZINC000178744799 352083100 /nfs/dbraw/zinc/08/31/00/352083100.db2.gz GVRWLWVSIGJPOT-LLVKDONJSA-N 2 2 255.362 -0.035 20 0 CBADLP COCC[NH2+]CC(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000178862004 352084603 /nfs/dbraw/zinc/08/46/03/352084603.db2.gz OWPVMUYLNWODFK-STQMWFEESA-N 2 2 285.388 -0.599 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1CCC[NH2+]C1)[NH+]1CCN(C)CC1 ZINC000178880583 352085057 /nfs/dbraw/zinc/08/50/57/352085057.db2.gz FZKYIGFZKNFXOR-STQMWFEESA-N 2 2 268.405 -0.262 20 0 CBADLP CN(CC[N@H+](C)[C@@H]1CCNC1=O)C1CC[NH+](C)CC1 ZINC000179303455 352089201 /nfs/dbraw/zinc/08/92/01/352089201.db2.gz NXPLZZAJEPBQLS-CYBMUJFWSA-N 2 2 268.405 -0.167 20 0 CBADLP CN(CC[N@@H+](C)[C@@H]1CCNC1=O)C1CC[NH+](C)CC1 ZINC000179303455 352089203 /nfs/dbraw/zinc/08/92/03/352089203.db2.gz NXPLZZAJEPBQLS-CYBMUJFWSA-N 2 2 268.405 -0.167 20 0 CBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)[C@@H]1CCNC1=O ZINC000179303455 352089204 /nfs/dbraw/zinc/08/92/04/352089204.db2.gz NXPLZZAJEPBQLS-CYBMUJFWSA-N 2 2 268.405 -0.167 20 0 CBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)[C@@H]1CCNC1=O ZINC000179303455 352089205 /nfs/dbraw/zinc/08/92/05/352089205.db2.gz NXPLZZAJEPBQLS-CYBMUJFWSA-N 2 2 268.405 -0.167 20 0 CBADLP C[N@H+](CCn1cccn1)CC(=O)N1CC[NH+](C)CC1 ZINC000180489044 352094334 /nfs/dbraw/zinc/09/43/34/352094334.db2.gz GINKFEMXZDUIMB-UHFFFAOYSA-N 2 2 265.361 -0.411 20 0 CBADLP C[N@@H+](CCn1cccn1)CC(=O)N1CC[NH+](C)CC1 ZINC000180489044 352094339 /nfs/dbraw/zinc/09/43/39/352094339.db2.gz GINKFEMXZDUIMB-UHFFFAOYSA-N 2 2 265.361 -0.411 20 0 CBADLP COC(=O)C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000180647953 352096241 /nfs/dbraw/zinc/09/62/41/352096241.db2.gz FRNOSEZMEBMMOM-LBPRGKRZSA-N 2 2 283.372 -0.212 20 0 CBADLP COC(=O)C[C@@H]1CCC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000180647953 352096243 /nfs/dbraw/zinc/09/62/43/352096243.db2.gz FRNOSEZMEBMMOM-LBPRGKRZSA-N 2 2 283.372 -0.212 20 0 CBADLP CC[C@@H](COC)[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181036401 352097676 /nfs/dbraw/zinc/09/76/76/352097676.db2.gz GWYMLWGICHCSRE-KBPBESRZSA-N 2 2 299.415 -0.066 20 0 CBADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)N1CC[NH+](C)CC1 ZINC000181068821 352097825 /nfs/dbraw/zinc/09/78/25/352097825.db2.gz WZFULYKJONHIFM-UHFFFAOYSA-N 3 2 279.388 -0.021 20 0 CBADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)N1CC[NH+](C)CC1 ZINC000181068821 352097828 /nfs/dbraw/zinc/09/78/28/352097828.db2.gz WZFULYKJONHIFM-UHFFFAOYSA-N 3 2 279.388 -0.021 20 0 CBADLP CN1CCN(C(=O)C[N@H+](C)CCCn2cc[nH+]c2)CC1 ZINC000181068821 352097830 /nfs/dbraw/zinc/09/78/30/352097830.db2.gz WZFULYKJONHIFM-UHFFFAOYSA-N 2 2 279.388 -0.021 20 0 CBADLP CN1CCN(C(=O)C[N@@H+](C)CCCn2cc[nH+]c2)CC1 ZINC000181068821 352097833 /nfs/dbraw/zinc/09/78/33/352097833.db2.gz WZFULYKJONHIFM-UHFFFAOYSA-N 2 2 279.388 -0.021 20 0 CBADLP C[N@@H+]1CCO[C@H](CNC(=O)c2[nH]nc3c2C[NH2+]CC3)C1 ZINC000188874094 352160725 /nfs/dbraw/zinc/16/07/25/352160725.db2.gz XEBCMNQUVHKOHV-SECBINFHSA-N 2 2 279.344 -0.884 20 0 CBADLP C[N@H+]1CCO[C@H](CNC(=O)c2[nH]nc3c2C[NH2+]CC3)C1 ZINC000188874094 352160729 /nfs/dbraw/zinc/16/07/29/352160729.db2.gz XEBCMNQUVHKOHV-SECBINFHSA-N 2 2 279.344 -0.884 20 0 CBADLP C[N@@H+]1CCO[C@@H](CNC(=O)c2[nH]nc3c2C[NH2+]CC3)C1 ZINC000188874115 352160835 /nfs/dbraw/zinc/16/08/35/352160835.db2.gz XEBCMNQUVHKOHV-VIFPVBQESA-N 2 2 279.344 -0.884 20 0 CBADLP C[N@H+]1CCO[C@@H](CNC(=O)c2[nH]nc3c2C[NH2+]CC3)C1 ZINC000188874115 352160838 /nfs/dbraw/zinc/16/08/38/352160838.db2.gz XEBCMNQUVHKOHV-VIFPVBQESA-N 2 2 279.344 -0.884 20 0 CBADLP CO[C@@H]1C[NH2+][C@@H](C(=O)N(C)CC[NH+]2CCOCC2)C1 ZINC000189239638 352165986 /nfs/dbraw/zinc/16/59/86/352165986.db2.gz XIUWHUIWTXSHNO-NWDGAFQWSA-N 2 2 271.361 -0.846 20 0 CBADLP COCC[NH+]1CCN(CC[N@H+]2CCOC[C@H]2C)CC1 ZINC000191422522 352188395 /nfs/dbraw/zinc/18/83/95/352188395.db2.gz IIJBNCSAXPIHDI-CQSZACIVSA-N 2 2 271.405 -0.029 20 0 CBADLP CC[N@H+](CC(N)=O)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000191699143 352192009 /nfs/dbraw/zinc/19/20/09/352192009.db2.gz ZVJBJTAPEMKCRZ-UHFFFAOYSA-N 2 2 284.404 -0.217 20 0 CBADLP CC[N@@H+](CC(N)=O)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000191699143 352192012 /nfs/dbraw/zinc/19/20/12/352192012.db2.gz ZVJBJTAPEMKCRZ-UHFFFAOYSA-N 2 2 284.404 -0.217 20 0 CBADLP C[C@@H](C(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1)[C@H](C)[NH3+] ZINC000192091215 352195502 /nfs/dbraw/zinc/19/55/02/352195502.db2.gz DTEXLBNBYJECRK-WOPDTQHZSA-N 2 2 296.415 -0.219 20 0 CBADLP C[C@H]1CN(CCC[NH+]2CCOCC2)CC[N@@H+]1CCO ZINC000187652586 352140991 /nfs/dbraw/zinc/14/09/91/352140991.db2.gz MQLYNFAOFSQAGF-AWEZNQCLSA-N 2 2 271.405 -0.293 20 0 CBADLP C[C@H]1CN(CCC[NH+]2CCOCC2)CC[N@H+]1CCO ZINC000187652586 352140994 /nfs/dbraw/zinc/14/09/94/352140994.db2.gz MQLYNFAOFSQAGF-AWEZNQCLSA-N 2 2 271.405 -0.293 20 0 CBADLP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)C1 ZINC000187948677 352143817 /nfs/dbraw/zinc/14/38/17/352143817.db2.gz STKMIHCYTVUZQQ-ZDEQEGDKSA-N 2 2 285.388 -0.411 20 0 CBADLP C[C@@H]([NH3+])CCC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000193293876 352204707 /nfs/dbraw/zinc/20/47/07/352204707.db2.gz AKOUFPAVOJDSQM-NEPJUHHUSA-N 2 2 296.415 -0.075 20 0 CBADLP C[N@H+]1C[C@@H]2C[NH+](CC(=O)NC[C@@H]3CCCO3)C[C@@H]2C1 ZINC000193611958 352207265 /nfs/dbraw/zinc/20/72/65/352207265.db2.gz DPZOUAXUKKYDOG-XQQFMLRXSA-N 2 2 267.373 -0.225 20 0 CBADLP C[N@@H+]1C[C@@H]2C[NH+](CC(=O)NC[C@@H]3CCCO3)C[C@@H]2C1 ZINC000193611958 352207268 /nfs/dbraw/zinc/20/72/68/352207268.db2.gz DPZOUAXUKKYDOG-XQQFMLRXSA-N 2 2 267.373 -0.225 20 0 CBADLP C[NH+]1C[C@@H]2C[N@@H+](CC(=O)NC[C@@H]3CCCO3)C[C@@H]2C1 ZINC000193611958 352207270 /nfs/dbraw/zinc/20/72/70/352207270.db2.gz DPZOUAXUKKYDOG-XQQFMLRXSA-N 2 2 267.373 -0.225 20 0 CBADLP C[NH+]1C[C@@H]2C[N@H+](CC(=O)NC[C@@H]3CCCO3)C[C@@H]2C1 ZINC000193611958 352207273 /nfs/dbraw/zinc/20/72/73/352207273.db2.gz DPZOUAXUKKYDOG-XQQFMLRXSA-N 2 2 267.373 -0.225 20 0 CBADLP COC[C@@H](C)NC(=O)NC(=O)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193633982 352207377 /nfs/dbraw/zinc/20/73/77/352207377.db2.gz DTQSMSHFKYWHHN-UTUOFQBUSA-N 2 2 298.387 -0.660 20 0 CBADLP COC[C@@H](C)NC(=O)NC(=O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193633982 352207380 /nfs/dbraw/zinc/20/73/80/352207380.db2.gz DTQSMSHFKYWHHN-UTUOFQBUSA-N 2 2 298.387 -0.660 20 0 CBADLP COC[C@@H](C)NC(=O)NC(=O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193633982 352207385 /nfs/dbraw/zinc/20/73/85/352207385.db2.gz DTQSMSHFKYWHHN-UTUOFQBUSA-N 2 2 298.387 -0.660 20 0 CBADLP COC[C@@H](C)NC(=O)NC(=O)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193633982 352207388 /nfs/dbraw/zinc/20/73/88/352207388.db2.gz DTQSMSHFKYWHHN-UTUOFQBUSA-N 2 2 298.387 -0.660 20 0 CBADLP CNc1[nH+]cnc2c1cnn2C[C@H](O)C[NH+]1CCOCC1 ZINC000193756566 352209609 /nfs/dbraw/zinc/20/96/09/352209609.db2.gz HESLODGVMCRXKU-SNVBAGLBSA-N 2 2 292.343 -0.439 20 0 CBADLP Cn1ccc(C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1=O ZINC000225350648 352247659 /nfs/dbraw/zinc/24/76/59/352247659.db2.gz SRJMXBGQNNTGCV-NSHDSACASA-N 2 2 264.329 -0.900 20 0 CBADLP Cn1ccc(C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1=O ZINC000225350648 352247663 /nfs/dbraw/zinc/24/76/63/352247663.db2.gz SRJMXBGQNNTGCV-NSHDSACASA-N 2 2 264.329 -0.900 20 0 CBADLP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000226677504 352254113 /nfs/dbraw/zinc/25/41/13/352254113.db2.gz VRDPQOCCRVUKJA-UWVGGRQHSA-N 2 2 256.350 -0.238 20 0 CBADLP CNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000226677504 352254118 /nfs/dbraw/zinc/25/41/18/352254118.db2.gz VRDPQOCCRVUKJA-UWVGGRQHSA-N 2 2 256.350 -0.238 20 0 CBADLP O=C(NCC[NH+]1CCOCC1)N1CC[NH+](C2CC2)CC1 ZINC000243713851 352316534 /nfs/dbraw/zinc/31/65/34/352316534.db2.gz PNTXMBTZQZWSIO-UHFFFAOYSA-N 2 2 282.388 -0.192 20 0 CBADLP O[C@@H](C[NH2+]C[C@H](O)C(F)(F)F)C[NH+]1CCCC1 ZINC000236537397 352289982 /nfs/dbraw/zinc/28/99/82/352289982.db2.gz YVUJADDVNYZXCH-IUCAKERBSA-N 2 2 256.268 -0.044 20 0 CBADLP CC(C)OCC[NH+]1CCN(C(=O)[C@H]2COCC[NH2+]2)CC1 ZINC000236806962 352293738 /nfs/dbraw/zinc/29/37/38/352293738.db2.gz LPPJROXPMRCWHJ-CYBMUJFWSA-N 2 2 285.388 -0.456 20 0 CBADLP CC(C)OCC[NH+]1CCN(C(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000236806252 352294196 /nfs/dbraw/zinc/29/41/96/352294196.db2.gz LPPJROXPMRCWHJ-ZDUSSCGKSA-N 2 2 285.388 -0.456 20 0 CBADLP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)CN2CC[NH2+]CC2=O)C1 ZINC000236823103 352294352 /nfs/dbraw/zinc/29/43/52/352294352.db2.gz CDVSBFXVVVAIOV-ZDUSSCGKSA-N 2 2 296.415 -0.345 20 0 CBADLP CC(C)[N@H+]1CCC[C@@H](CNC(=O)CN2CC[NH2+]CC2=O)C1 ZINC000236823103 352294357 /nfs/dbraw/zinc/29/43/57/352294357.db2.gz CDVSBFXVVVAIOV-ZDUSSCGKSA-N 2 2 296.415 -0.345 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@H]2CCCC[NH2+]2)CC1 ZINC000237113757 352299533 /nfs/dbraw/zinc/29/95/33/352299533.db2.gz HIOFZLBOWCIYRA-GFCCVEGCSA-N 2 2 255.362 -0.081 20 0 CBADLP COCC[NH2+]CC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000237147550 352300285 /nfs/dbraw/zinc/30/02/85/352300285.db2.gz VDSXXECGNQRTDC-AWEZNQCLSA-N 2 2 299.415 -0.064 20 0 CBADLP C[NH2+]CCCC(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000237141975 352300322 /nfs/dbraw/zinc/30/03/22/352300322.db2.gz LTHHFIKRPKPKDX-GFCCVEGCSA-N 2 2 296.415 -0.203 20 0 CBADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NC(N)=O)[C@@H](C)C1 ZINC000245441257 352320113 /nfs/dbraw/zinc/32/01/13/352320113.db2.gz VHEJIWIAZNCXFO-UWVGGRQHSA-N 2 2 256.350 -0.157 20 0 CBADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NC(N)=O)[C@@H](C)C1 ZINC000245441257 352320116 /nfs/dbraw/zinc/32/01/16/352320116.db2.gz VHEJIWIAZNCXFO-UWVGGRQHSA-N 2 2 256.350 -0.157 20 0 CBADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NC(N)=O)[C@@H](C)C1 ZINC000245441257 352320120 /nfs/dbraw/zinc/32/01/20/352320120.db2.gz VHEJIWIAZNCXFO-UWVGGRQHSA-N 2 2 256.350 -0.157 20 0 CBADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NC(N)=O)[C@@H](C)C1 ZINC000245441257 352320124 /nfs/dbraw/zinc/32/01/24/352320124.db2.gz VHEJIWIAZNCXFO-UWVGGRQHSA-N 2 2 256.350 -0.157 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1COCC[NH2+]1)Cn1cc[nH+]c1 ZINC000237440988 352304953 /nfs/dbraw/zinc/30/49/53/352304953.db2.gz ZCXVICVHCOEVDR-MNOVXSKESA-N 2 2 252.318 -0.376 20 0 CBADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000237433974 352305280 /nfs/dbraw/zinc/30/52/80/352305280.db2.gz KGZYSXZQMRKWNK-NEPJUHHUSA-N 2 2 294.399 -0.593 20 0 CBADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000237494417 352305739 /nfs/dbraw/zinc/30/57/39/352305739.db2.gz PLJYZZXJWNTFBH-AAEUAGOBSA-N 2 2 294.399 -0.450 20 0 CBADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)[C@H]2COCC[NH2+]2)C[C@@H](C)O1 ZINC000237494822 352306302 /nfs/dbraw/zinc/30/63/02/352306302.db2.gz NQSXNLOSSBLFTN-JHJVBQTASA-N 2 2 299.415 -0.021 20 0 CBADLP C[C@@H](C(=O)NC(N)=O)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246150762 352328468 /nfs/dbraw/zinc/32/84/68/352328468.db2.gz METGSSYEXKDGGU-UWVGGRQHSA-N 2 2 256.350 -0.157 20 0 CBADLP C[C@@H](C(=O)NC(N)=O)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246150762 352328472 /nfs/dbraw/zinc/32/84/72/352328472.db2.gz METGSSYEXKDGGU-UWVGGRQHSA-N 2 2 256.350 -0.157 20 0 CBADLP C[C@@H](C(=O)NC(N)=O)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000246150762 352328476 /nfs/dbraw/zinc/32/84/76/352328476.db2.gz METGSSYEXKDGGU-UWVGGRQHSA-N 2 2 256.350 -0.157 20 0 CBADLP C[C@@H](C(=O)NC(N)=O)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246150762 352328477 /nfs/dbraw/zinc/32/84/77/352328477.db2.gz METGSSYEXKDGGU-UWVGGRQHSA-N 2 2 256.350 -0.157 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)C[C@H](C)C(=O)NC)CC1 ZINC000246273141 352329985 /nfs/dbraw/zinc/32/99/85/352329985.db2.gz VYFFSUOGOCNBIX-STQMWFEESA-N 2 2 298.431 -0.147 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)C[C@H](C)C(=O)NC)CC1 ZINC000246273141 352329992 /nfs/dbraw/zinc/32/99/92/352329992.db2.gz VYFFSUOGOCNBIX-STQMWFEESA-N 2 2 298.431 -0.147 20 0 CBADLP C[C@@H]1CN(C(=O)[C@H]2COCC[NH2+]2)C[C@H]1[NH+]1CCOCC1 ZINC000246720932 352337537 /nfs/dbraw/zinc/33/75/37/352337537.db2.gz XOKGTRZNVQJWJA-JHJVBQTASA-N 2 2 283.372 -0.846 20 0 CBADLP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@H](C)c3nnnn3C)C2)CC1 ZINC000249440389 352365437 /nfs/dbraw/zinc/36/54/37/352365437.db2.gz SVQWOMWQXKKSAN-CHWSQXEVSA-N 2 2 293.419 -0.017 20 0 CBADLP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)c3nnnn3C)C2)CC1 ZINC000249440389 352365439 /nfs/dbraw/zinc/36/54/39/352365439.db2.gz SVQWOMWQXKKSAN-CHWSQXEVSA-N 2 2 293.419 -0.017 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000250419401 352373249 /nfs/dbraw/zinc/37/32/49/352373249.db2.gz LKXVSINCSHAUSF-VXGBXAGGSA-N 2 2 284.404 -0.217 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000250419401 352373250 /nfs/dbraw/zinc/37/32/50/352373250.db2.gz LKXVSINCSHAUSF-VXGBXAGGSA-N 2 2 284.404 -0.217 20 0 CBADLP C[C@H](C[NH+]1CCC[C@H]1C(N)=O)C[N@@H+]1CCC[C@@H]1C(N)=O ZINC000251117095 352373886 /nfs/dbraw/zinc/37/38/86/352373886.db2.gz QEHRIJZPWHPAPJ-ZSBIGDGJSA-N 2 2 282.388 -0.478 20 0 CBADLP C[C@H](C[NH+]1CCC[C@H]1C(N)=O)C[N@H+]1CCC[C@@H]1C(N)=O ZINC000251117095 352373889 /nfs/dbraw/zinc/37/38/89/352373889.db2.gz QEHRIJZPWHPAPJ-ZSBIGDGJSA-N 2 2 282.388 -0.478 20 0 CBADLP C[C@@H](C[NH+]1CCC[C@@H]1C(N)=O)C[N@@H+]1CCC[C@H]1C(N)=O ZINC000251117095 352373892 /nfs/dbraw/zinc/37/38/92/352373892.db2.gz QEHRIJZPWHPAPJ-ZSBIGDGJSA-N 2 2 282.388 -0.478 20 0 CBADLP C[C@@H](C[NH+]1CCC[C@@H]1C(N)=O)C[N@H+]1CCC[C@H]1C(N)=O ZINC000251117095 352373894 /nfs/dbraw/zinc/37/38/94/352373894.db2.gz QEHRIJZPWHPAPJ-ZSBIGDGJSA-N 2 2 282.388 -0.478 20 0 CBADLP O=C(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)NC[C@H]1CCCO1 ZINC000252453359 352377331 /nfs/dbraw/zinc/37/73/31/352377331.db2.gz IBUDVMTZZZOZAL-SDDRHHMPSA-N 2 2 253.346 -0.567 20 0 CBADLP O=C1CCC(=O)N1CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261572500 352389224 /nfs/dbraw/zinc/38/92/24/352389224.db2.gz LQNPXKCYKXTXCI-MNOVXSKESA-N 2 2 251.330 -0.181 20 0 CBADLP O=C1CCC(=O)N1CC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261572500 352389227 /nfs/dbraw/zinc/38/92/27/352389227.db2.gz LQNPXKCYKXTXCI-MNOVXSKESA-N 2 2 251.330 -0.181 20 0 CBADLP O=C(C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)N1CCOCC1 ZINC000261590989 352389669 /nfs/dbraw/zinc/38/96/69/352389669.db2.gz XGVPJQAUHMSMQL-VXGBXAGGSA-N 2 2 253.346 -0.471 20 0 CBADLP O=C(C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)N1CCOCC1 ZINC000261590989 352389671 /nfs/dbraw/zinc/38/96/71/352389671.db2.gz XGVPJQAUHMSMQL-VXGBXAGGSA-N 2 2 253.346 -0.471 20 0 CBADLP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)NC(=O)NC1CC1 ZINC000261585703 352389818 /nfs/dbraw/zinc/38/98/18/352389818.db2.gz IODKJQRUNGLUFU-UWVGGRQHSA-N 2 2 266.345 -0.484 20 0 CBADLP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)NC(=O)NC1CC1 ZINC000261585703 352389821 /nfs/dbraw/zinc/38/98/21/352389821.db2.gz IODKJQRUNGLUFU-UWVGGRQHSA-N 2 2 266.345 -0.484 20 0 CBADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261586057 352390009 /nfs/dbraw/zinc/39/00/09/352390009.db2.gz IRHNBLJSMQHUBP-HBNTYKKESA-N 2 2 268.361 -0.096 20 0 CBADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261586057 352390010 /nfs/dbraw/zinc/39/00/10/352390010.db2.gz IRHNBLJSMQHUBP-HBNTYKKESA-N 2 2 268.361 -0.096 20 0 CBADLP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261589862 352390056 /nfs/dbraw/zinc/39/00/56/352390056.db2.gz LBDUYNRSGATYNQ-ZWNOBZJWSA-N 2 2 268.361 -0.094 20 0 CBADLP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261589862 352390058 /nfs/dbraw/zinc/39/00/58/352390058.db2.gz LBDUYNRSGATYNQ-ZWNOBZJWSA-N 2 2 268.361 -0.094 20 0 CBADLP CCCNC(=O)[C@H](C)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261606129 352390503 /nfs/dbraw/zinc/39/05/03/352390503.db2.gz RKUGJTFWMOPHBM-QWHCGFSZSA-N 2 2 268.405 -0.119 20 0 CBADLP CCCNC(=O)NC(=O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261619092 352390581 /nfs/dbraw/zinc/39/05/81/352390581.db2.gz UKEVHICLRZFHGK-GHMZBOCLSA-N 2 2 268.361 -0.094 20 0 CBADLP CCCNC(=O)NC(=O)C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261619092 352390583 /nfs/dbraw/zinc/39/05/83/352390583.db2.gz UKEVHICLRZFHGK-GHMZBOCLSA-N 2 2 268.361 -0.094 20 0 CBADLP CC(=O)N1CCN(C(=O)C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000261622699 352391583 /nfs/dbraw/zinc/39/15/83/352391583.db2.gz GRGVDMXDHXPJPK-KBPBESRZSA-N 2 2 294.399 -0.639 20 0 CBADLP CC(=O)N1CCN(C(=O)C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000261622699 352391589 /nfs/dbraw/zinc/39/15/89/352391589.db2.gz GRGVDMXDHXPJPK-KBPBESRZSA-N 2 2 294.399 -0.639 20 0 CBADLP O=C(CCn1cc[nH+]c1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261623274 352392252 /nfs/dbraw/zinc/39/22/52/352392252.db2.gz AHQWUWMNVWEIOW-CYBMUJFWSA-N 2 2 277.372 -0.221 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261682914 352393252 /nfs/dbraw/zinc/39/32/52/352393252.db2.gz MRIAIAPQWVRISU-OAHLLOKOSA-N 2 2 296.415 -0.344 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261682914 352393256 /nfs/dbraw/zinc/39/32/56/352393256.db2.gz MRIAIAPQWVRISU-OAHLLOKOSA-N 2 2 296.415 -0.344 20 0 CBADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)C[C@H](C)[NH3+])CC1 ZINC000261916034 352400877 /nfs/dbraw/zinc/40/08/77/352400877.db2.gz WZVWARAQLYHXOU-LBPRGKRZSA-N 2 2 284.404 -0.264 20 0 CBADLP C[C@@H]([NH3+])C(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000261780502 352396776 /nfs/dbraw/zinc/39/67/76/352396776.db2.gz JMOIZFFQJRZCBE-SNVBAGLBSA-N 2 2 251.334 -0.589 20 0 CBADLP C[C@@H](O)C(=O)N1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000261877514 352398627 /nfs/dbraw/zinc/39/86/27/352398627.db2.gz QIAJFBJTMHBNDJ-YPMHNXCESA-N 2 2 255.362 -0.489 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)C[C@H]1[NH+]1CCOCC1 ZINC000262195222 352410398 /nfs/dbraw/zinc/41/03/98/352410398.db2.gz ZXICATWKZGQPPR-SYQHCUMBSA-N 2 2 297.399 -0.328 20 0 CBADLP COC[C@@H]([NH3+])C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000262327049 352416164 /nfs/dbraw/zinc/41/61/64/352416164.db2.gz RDAOZJSGEQMHQS-NWDGAFQWSA-N 2 2 271.361 -0.717 20 0 CBADLP C[C@H](NC(=O)C[C@H]1COCC[NH2+]1)[C@H](C)[NH+]1CCOCC1 ZINC000262335232 352416544 /nfs/dbraw/zinc/41/65/44/352416544.db2.gz HEZTVGBKMUKUCO-AVGNSLFASA-N 2 2 285.388 -0.410 20 0 CBADLP COC[C@H]([NH3+])C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000262364549 352417977 /nfs/dbraw/zinc/41/79/77/352417977.db2.gz VZKLQDUZXWUXLQ-JTQLQIEISA-N 2 2 267.333 -0.972 20 0 CBADLP C[NH2+]CCC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000262387485 352418947 /nfs/dbraw/zinc/41/89/47/352418947.db2.gz NVKCXQJLTHFQOZ-GFCCVEGCSA-N 2 2 255.362 -0.081 20 0 CBADLP C[C@H](C[NH3+])C(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000262374634 352419265 /nfs/dbraw/zinc/41/92/65/352419265.db2.gz MDLWBZPUVJUXLA-LLVKDONJSA-N 2 2 265.361 -0.341 20 0 CBADLP COC[C@H]([NH3+])C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000262380069 352419448 /nfs/dbraw/zinc/41/94/48/352419448.db2.gz XSNSWKKBBYHVAD-QWRGUYRKSA-N 2 2 264.329 -0.250 20 0 CBADLP C[NH2+]CCC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000262387487 352420492 /nfs/dbraw/zinc/42/04/92/352420492.db2.gz NVKCXQJLTHFQOZ-LBPRGKRZSA-N 2 2 255.362 -0.081 20 0 CBADLP C[C@@H](C[NH3+])C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000262435749 352421187 /nfs/dbraw/zinc/42/11/87/352421187.db2.gz UJMXKIDGSHVULL-NWDGAFQWSA-N 2 2 255.362 -0.096 20 0 CBADLP C[C@H](C[NH3+])C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000262412836 352421531 /nfs/dbraw/zinc/42/15/31/352421531.db2.gz QSCBSPQJFYSKQS-DGCLKSJQSA-N 2 2 287.429 -0.095 20 0 CBADLP COCC[C@@]1(C(=O)N2CC[NH+](CCO)CC2)CC[NH2+]C1 ZINC000262448859 352422174 /nfs/dbraw/zinc/42/21/74/352422174.db2.gz VPOFEZVKMHUVIS-AWEZNQCLSA-N 2 2 285.388 -0.861 20 0 CBADLP C[C@@H](C[NH3+])C(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000262497671 352424298 /nfs/dbraw/zinc/42/42/98/352424298.db2.gz IJGZMTITYRTIMA-QWRGUYRKSA-N 2 2 282.388 -0.608 20 0 CBADLP CC(C)[C@H](CNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1)[NH+]1CCOCC1 ZINC000262498289 352424472 /nfs/dbraw/zinc/42/44/72/352424472.db2.gz KIUKPOHAEKBEGI-AGIUHOORSA-N 2 2 285.388 -0.818 20 0 CBADLP [NH3+]CCC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000262638111 352429701 /nfs/dbraw/zinc/42/97/01/352429701.db2.gz ITRDCIBEYOAKOY-UHFFFAOYSA-N 2 2 278.360 -0.936 20 0 CBADLP COCC[N@H+](C)CCNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263146568 352438860 /nfs/dbraw/zinc/43/88/60/352438860.db2.gz CSHQMWYAPVPIKA-SECBINFHSA-N 2 2 265.304 -0.322 20 0 CBADLP COCC[N@@H+](C)CCNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263146568 352438863 /nfs/dbraw/zinc/43/88/63/352438863.db2.gz CSHQMWYAPVPIKA-SECBINFHSA-N 2 2 265.304 -0.322 20 0 CBADLP O=C(C[C@H]1COCC[NH2+]1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000262028604 352404232 /nfs/dbraw/zinc/40/42/32/352404232.db2.gz BEEISXRQHLGNAN-KBPBESRZSA-N 2 2 297.399 -0.312 20 0 CBADLP O=C(C[C@@H]1COCC[NH2+]1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000262028607 352404513 /nfs/dbraw/zinc/40/45/13/352404513.db2.gz BEEISXRQHLGNAN-KGLIPLIRSA-N 2 2 297.399 -0.312 20 0 CBADLP Cn1cc[nH+]c1N1CC[NH+](CC(=O)N2CCC2)CC1 ZINC000270480974 352493075 /nfs/dbraw/zinc/49/30/75/352493075.db2.gz DTGGOIVNRSIWEU-UHFFFAOYSA-N 2 2 263.345 -0.226 20 0 CBADLP CN(C)C(=O)C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000269695122 352479292 /nfs/dbraw/zinc/47/92/92/352479292.db2.gz JWBJQOZXYIGCPQ-UHFFFAOYSA-N 2 2 251.334 -0.370 20 0 CBADLP COC(=O)C[C@H]1C(=O)NCC[N@H+]1CCn1cc[nH+]c1C ZINC000270787315 352501222 /nfs/dbraw/zinc/50/12/22/352501222.db2.gz BPZQERJLNRUZBU-NSHDSACASA-N 2 2 280.328 -0.445 20 0 CBADLP COC(=O)C[C@H]1C(=O)NCC[N@@H+]1CCn1cc[nH+]c1C ZINC000270787315 352501224 /nfs/dbraw/zinc/50/12/24/352501224.db2.gz BPZQERJLNRUZBU-NSHDSACASA-N 2 2 280.328 -0.445 20 0 CBADLP Cn1cc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)c(=O)n(C)c1=O ZINC000272590903 352520722 /nfs/dbraw/zinc/52/07/22/352520722.db2.gz HULONNBAUQMOKG-WCQYABFASA-N 2 2 292.383 -0.390 20 0 CBADLP Cn1cc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)c(=O)n(C)c1=O ZINC000272590903 352520724 /nfs/dbraw/zinc/52/07/24/352520724.db2.gz HULONNBAUQMOKG-WCQYABFASA-N 2 2 292.383 -0.390 20 0 CBADLP Cn1cc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@H]32)c(=O)n(C)c1=O ZINC000272590903 352520725 /nfs/dbraw/zinc/52/07/25/352520725.db2.gz HULONNBAUQMOKG-WCQYABFASA-N 2 2 292.383 -0.390 20 0 CBADLP Cn1cc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@H]32)c(=O)n(C)c1=O ZINC000272590903 352520728 /nfs/dbraw/zinc/52/07/28/352520728.db2.gz HULONNBAUQMOKG-WCQYABFASA-N 2 2 292.383 -0.390 20 0 CBADLP Cn1cc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)c(=O)n(C)c1=O ZINC000272590901 352521002 /nfs/dbraw/zinc/52/10/02/352521002.db2.gz HULONNBAUQMOKG-DGCLKSJQSA-N 2 2 292.383 -0.390 20 0 CBADLP Cn1cc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)c(=O)n(C)c1=O ZINC000272590901 352521006 /nfs/dbraw/zinc/52/10/06/352521006.db2.gz HULONNBAUQMOKG-DGCLKSJQSA-N 2 2 292.383 -0.390 20 0 CBADLP Cn1cc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@H]32)c(=O)n(C)c1=O ZINC000272590901 352521009 /nfs/dbraw/zinc/52/10/09/352521009.db2.gz HULONNBAUQMOKG-DGCLKSJQSA-N 2 2 292.383 -0.390 20 0 CBADLP Cn1cc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@H]32)c(=O)n(C)c1=O ZINC000272590901 352521012 /nfs/dbraw/zinc/52/10/12/352521012.db2.gz HULONNBAUQMOKG-DGCLKSJQSA-N 2 2 292.383 -0.390 20 0 CBADLP CC[N@H+](CCO)CCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000283159176 352619196 /nfs/dbraw/zinc/61/91/96/352619196.db2.gz OYLYRTPFQZNREU-ONEGZZNKSA-N 2 2 252.318 -0.147 20 0 CBADLP CC[N@@H+](CCO)CCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000283159176 352619198 /nfs/dbraw/zinc/61/91/98/352619198.db2.gz OYLYRTPFQZNREU-ONEGZZNKSA-N 2 2 252.318 -0.147 20 0 CBADLP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NCc1[nH+]ccn1C ZINC000286639101 352647517 /nfs/dbraw/zinc/64/75/17/352647517.db2.gz KUPKZDWPPNACGS-LLVKDONJSA-N 2 2 295.387 -0.117 20 0 CBADLP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCc1[nH+]ccn1C ZINC000286834734 352649591 /nfs/dbraw/zinc/64/95/91/352649591.db2.gz ZLNHPTNOJWPIMI-NSHDSACASA-N 2 2 293.371 -0.363 20 0 CBADLP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCc1[nH+]ccn1C ZINC000286834734 352649596 /nfs/dbraw/zinc/64/95/96/352649596.db2.gz ZLNHPTNOJWPIMI-NSHDSACASA-N 2 2 293.371 -0.363 20 0 CBADLP C[C@H](O)C[NH+]1CCN(C(=O)NCCCn2cc[nH+]c2)CC1 ZINC000287289496 352654232 /nfs/dbraw/zinc/65/42/32/352654232.db2.gz MNTLZECGMVVQLS-ZDUSSCGKSA-N 2 2 295.387 -0.019 20 0 CBADLP CO[C@H](C[NH3+])C(=O)NCCCNc1cccc[nH+]1 ZINC000289872547 352669646 /nfs/dbraw/zinc/66/96/46/352669646.db2.gz HDXUBZDANCENBY-SNVBAGLBSA-N 2 2 252.318 -0.027 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N[C@H](C)Cn2cc[nH+]c2)CC1 ZINC000283768326 352630198 /nfs/dbraw/zinc/63/01/98/352630198.db2.gz CLQIVTDGQNMQLE-GFCCVEGCSA-N 2 2 293.371 -0.448 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000284037810 352634046 /nfs/dbraw/zinc/63/40/46/352634046.db2.gz SCOMTPAFOOGFTJ-LLVKDONJSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000284037810 352634047 /nfs/dbraw/zinc/63/40/47/352634047.db2.gz SCOMTPAFOOGFTJ-LLVKDONJSA-N 2 2 293.371 -0.402 20 0 CBADLP CCNC(=O)C[NH+]1CCN(c2cc[nH+]cc2C(N)=O)CC1 ZINC000302229336 352739135 /nfs/dbraw/zinc/73/91/35/352739135.db2.gz RGSLSLJIISHHHV-UHFFFAOYSA-N 2 2 291.355 -0.561 20 0 CBADLP Cc1nc(NC[C@H]2C[N@@H+](C)CCN2C)nc(N)[nH+]1 ZINC000302579673 352742051 /nfs/dbraw/zinc/74/20/51/352742051.db2.gz CINOMTRCCBDQAX-VIFPVBQESA-N 2 2 251.338 -0.580 20 0 CBADLP Cc1nc(NC[C@H]2C[N@H+](C)CCN2C)nc(N)[nH+]1 ZINC000302579673 352742053 /nfs/dbraw/zinc/74/20/53/352742053.db2.gz CINOMTRCCBDQAX-VIFPVBQESA-N 2 2 251.338 -0.580 20 0 CBADLP O[C@@H](CN1CC[NH+](C2CC2)CC1)C[NH+]1CCOCC1 ZINC000303213950 352744260 /nfs/dbraw/zinc/74/42/60/352744260.db2.gz ABXAOXGAZUWRSK-AWEZNQCLSA-N 2 2 269.389 -0.541 20 0 CBADLP C[N@@H+]1CCCN(C[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC000310580239 352761236 /nfs/dbraw/zinc/76/12/36/352761236.db2.gz SRPGGRGSTPGJDV-CYBMUJFWSA-N 2 2 257.378 -0.683 20 0 CBADLP C[N@H+]1CCCN(C[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC000310580239 352761239 /nfs/dbraw/zinc/76/12/39/352761239.db2.gz SRPGGRGSTPGJDV-CYBMUJFWSA-N 2 2 257.378 -0.683 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](CO)C1 ZINC000310844945 352761862 /nfs/dbraw/zinc/76/18/62/352761862.db2.gz IEBWBYUJQDGCNJ-CHWSQXEVSA-N 2 2 260.378 -0.370 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](CO)C1 ZINC000310844945 352761866 /nfs/dbraw/zinc/76/18/66/352761866.db2.gz IEBWBYUJQDGCNJ-CHWSQXEVSA-N 2 2 260.378 -0.370 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](CO)C1 ZINC000310844945 352761869 /nfs/dbraw/zinc/76/18/69/352761869.db2.gz IEBWBYUJQDGCNJ-CHWSQXEVSA-N 2 2 260.378 -0.370 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](CO)C1 ZINC000310844945 352761872 /nfs/dbraw/zinc/76/18/72/352761872.db2.gz IEBWBYUJQDGCNJ-CHWSQXEVSA-N 2 2 260.378 -0.370 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H]([C@@H](C)O)C1 ZINC000310920401 352763176 /nfs/dbraw/zinc/76/31/76/352763176.db2.gz SHRJPYPXXLBILT-AGIUHOORSA-N 2 2 260.378 -0.372 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H]([C@@H](C)O)C1 ZINC000310920401 352763179 /nfs/dbraw/zinc/76/31/79/352763179.db2.gz SHRJPYPXXLBILT-AGIUHOORSA-N 2 2 260.378 -0.372 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H]([C@@H](C)O)C1 ZINC000310920401 352763182 /nfs/dbraw/zinc/76/31/82/352763182.db2.gz SHRJPYPXXLBILT-AGIUHOORSA-N 2 2 260.378 -0.372 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H]([C@@H](C)O)C1 ZINC000310920401 352763185 /nfs/dbraw/zinc/76/31/85/352763185.db2.gz SHRJPYPXXLBILT-AGIUHOORSA-N 2 2 260.378 -0.372 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H]([C@@H](C)O)C1 ZINC000310920403 352763723 /nfs/dbraw/zinc/76/37/23/352763723.db2.gz SHRJPYPXXLBILT-UPJWGTAASA-N 2 2 260.378 -0.372 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H]([C@@H](C)O)C1 ZINC000310920403 352763726 /nfs/dbraw/zinc/76/37/26/352763726.db2.gz SHRJPYPXXLBILT-UPJWGTAASA-N 2 2 260.378 -0.372 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H]([C@@H](C)O)C1 ZINC000310920403 352763730 /nfs/dbraw/zinc/76/37/30/352763730.db2.gz SHRJPYPXXLBILT-UPJWGTAASA-N 2 2 260.378 -0.372 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H]([C@@H](C)O)C1 ZINC000310920403 352763736 /nfs/dbraw/zinc/76/37/36/352763736.db2.gz SHRJPYPXXLBILT-UPJWGTAASA-N 2 2 260.378 -0.372 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H]([C@H](C)O)C1 ZINC000310920402 352763926 /nfs/dbraw/zinc/76/39/26/352763926.db2.gz SHRJPYPXXLBILT-AVGNSLFASA-N 2 2 260.378 -0.372 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H]([C@H](C)O)C1 ZINC000310920402 352763931 /nfs/dbraw/zinc/76/39/31/352763931.db2.gz SHRJPYPXXLBILT-AVGNSLFASA-N 2 2 260.378 -0.372 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H]([C@H](C)O)C1 ZINC000310920402 352763934 /nfs/dbraw/zinc/76/39/34/352763934.db2.gz SHRJPYPXXLBILT-AVGNSLFASA-N 2 2 260.378 -0.372 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H]([C@H](C)O)C1 ZINC000310920402 352763937 /nfs/dbraw/zinc/76/39/37/352763937.db2.gz SHRJPYPXXLBILT-AVGNSLFASA-N 2 2 260.378 -0.372 20 0 CBADLP CC[C@](C)([NH2+]C[C@@H](O)C[N@H+](C)CCOC)C(N)=O ZINC000311152106 352766247 /nfs/dbraw/zinc/76/62/47/352766247.db2.gz NLTDJWRCGVQEJA-PWSUYJOCSA-N 2 2 261.366 -0.831 20 0 CBADLP CC[C@](C)([NH2+]C[C@@H](O)C[N@@H+](C)CCOC)C(N)=O ZINC000311152106 352766250 /nfs/dbraw/zinc/76/62/50/352766250.db2.gz NLTDJWRCGVQEJA-PWSUYJOCSA-N 2 2 261.366 -0.831 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](NC(C)=O)C1 ZINC000311648044 352768974 /nfs/dbraw/zinc/76/89/74/352768974.db2.gz CLOISAVKVFRLBO-CHWSQXEVSA-N 2 2 273.377 -0.864 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](NC(C)=O)C1 ZINC000311648044 352768977 /nfs/dbraw/zinc/76/89/77/352768977.db2.gz CLOISAVKVFRLBO-CHWSQXEVSA-N 2 2 273.377 -0.864 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](NC(C)=O)C1 ZINC000311648044 352768980 /nfs/dbraw/zinc/76/89/80/352768980.db2.gz CLOISAVKVFRLBO-CHWSQXEVSA-N 2 2 273.377 -0.864 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](NC(C)=O)C1 ZINC000311648044 352768984 /nfs/dbraw/zinc/76/89/84/352768984.db2.gz CLOISAVKVFRLBO-CHWSQXEVSA-N 2 2 273.377 -0.864 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000311722622 352770201 /nfs/dbraw/zinc/77/02/01/352770201.db2.gz PPSYOLCZSPNBMF-IGQOVBAYSA-N 2 2 272.389 -0.372 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000311722622 352770204 /nfs/dbraw/zinc/77/02/04/352770204.db2.gz PPSYOLCZSPNBMF-IGQOVBAYSA-N 2 2 272.389 -0.372 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000311722622 352770207 /nfs/dbraw/zinc/77/02/07/352770207.db2.gz PPSYOLCZSPNBMF-IGQOVBAYSA-N 2 2 272.389 -0.372 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000311722622 352770210 /nfs/dbraw/zinc/77/02/10/352770210.db2.gz PPSYOLCZSPNBMF-IGQOVBAYSA-N 2 2 272.389 -0.372 20 0 CBADLP O=C(C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1)NC[C@@H]1CCCO1 ZINC000311832494 352771556 /nfs/dbraw/zinc/77/15/56/352771556.db2.gz LTYROYXDYNIDCF-JSGCOSHPSA-N 2 2 267.373 -0.033 20 0 CBADLP O=C(C[N@H+]1CC[C@]2(CC[NH2+]C2)C1)NC[C@@H]1CCCO1 ZINC000311832494 352771559 /nfs/dbraw/zinc/77/15/59/352771559.db2.gz LTYROYXDYNIDCF-JSGCOSHPSA-N 2 2 267.373 -0.033 20 0 CBADLP CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1CCn1cc[nH+]c1 ZINC000330367009 352815315 /nfs/dbraw/zinc/81/53/15/352815315.db2.gz IZFZCSCOSUOBKS-NSHDSACASA-N 2 2 272.374 -0.103 20 0 CBADLP CNS(=O)(=O)C[C@@H]1CCC[N@H+]1CCn1cc[nH+]c1 ZINC000330367009 352815319 /nfs/dbraw/zinc/81/53/19/352815319.db2.gz IZFZCSCOSUOBKS-NSHDSACASA-N 2 2 272.374 -0.103 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000330571905 352850025 /nfs/dbraw/zinc/85/00/25/352850025.db2.gz MYUWFQQXNHSDEI-STQMWFEESA-N 2 2 285.388 -0.599 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000330571905 352850027 /nfs/dbraw/zinc/85/00/27/352850027.db2.gz MYUWFQQXNHSDEI-STQMWFEESA-N 2 2 285.388 -0.599 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000330571904 352850480 /nfs/dbraw/zinc/85/04/80/352850480.db2.gz MYUWFQQXNHSDEI-QWHCGFSZSA-N 2 2 285.388 -0.599 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000330571904 352850482 /nfs/dbraw/zinc/85/04/82/352850482.db2.gz MYUWFQQXNHSDEI-QWHCGFSZSA-N 2 2 285.388 -0.599 20 0 CBADLP COC(=O)[C@@](C)(O)C[NH+]1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000330862021 352854155 /nfs/dbraw/zinc/85/41/55/352854155.db2.gz XDHXBAGXTVEIML-AWEZNQCLSA-N 2 2 294.355 -0.169 20 0 CBADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000330954545 352859123 /nfs/dbraw/zinc/85/91/23/352859123.db2.gz AMZUNXQPTOXZIS-UONOGXRCSA-N 2 2 299.415 -0.066 20 0 CBADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000330954545 352859124 /nfs/dbraw/zinc/85/91/24/352859124.db2.gz AMZUNXQPTOXZIS-UONOGXRCSA-N 2 2 299.415 -0.066 20 0 CBADLP CCCC[NH+]1CCOC[C@@H]1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000330954545 352859126 /nfs/dbraw/zinc/85/91/26/352859126.db2.gz AMZUNXQPTOXZIS-UONOGXRCSA-N 2 2 299.415 -0.066 20 0 CBADLP CCCC[NH+]1CCOC[C@@H]1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000330954545 352859128 /nfs/dbraw/zinc/85/91/28/352859128.db2.gz AMZUNXQPTOXZIS-UONOGXRCSA-N 2 2 299.415 -0.066 20 0 CBADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000330954543 352859160 /nfs/dbraw/zinc/85/91/60/352859160.db2.gz AMZUNXQPTOXZIS-KBPBESRZSA-N 2 2 299.415 -0.066 20 0 CBADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000330954543 352859162 /nfs/dbraw/zinc/85/91/62/352859162.db2.gz AMZUNXQPTOXZIS-KBPBESRZSA-N 2 2 299.415 -0.066 20 0 CBADLP CCCC[NH+]1CCOC[C@H]1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000330954543 352859163 /nfs/dbraw/zinc/85/91/63/352859163.db2.gz AMZUNXQPTOXZIS-KBPBESRZSA-N 2 2 299.415 -0.066 20 0 CBADLP CCCC[NH+]1CCOC[C@H]1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000330954543 352859164 /nfs/dbraw/zinc/85/91/64/352859164.db2.gz AMZUNXQPTOXZIS-KBPBESRZSA-N 2 2 299.415 -0.066 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CCC([NH+](C)C)CC1 ZINC000330559394 352847971 /nfs/dbraw/zinc/84/79/71/352847971.db2.gz IGVYVBKGBLAXOK-UHFFFAOYSA-N 2 2 298.431 -0.005 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CCC([NH+](C)C)CC1 ZINC000330559394 352847973 /nfs/dbraw/zinc/84/79/73/352847973.db2.gz IGVYVBKGBLAXOK-UHFFFAOYSA-N 2 2 298.431 -0.005 20 0 CBADLP C[C@H]1CN(C(=O)CCn2cc[nH+]c2)CC[N@@H+]1CCO ZINC000331173609 352888291 /nfs/dbraw/zinc/88/82/91/352888291.db2.gz GCEFFEVAGRCBHW-LBPRGKRZSA-N 2 2 266.345 -0.202 20 0 CBADLP C[C@H]1CN(C(=O)CCn2cc[nH+]c2)CC[N@H+]1CCO ZINC000331173609 352888293 /nfs/dbraw/zinc/88/82/93/352888293.db2.gz GCEFFEVAGRCBHW-LBPRGKRZSA-N 2 2 266.345 -0.202 20 0 CBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C[NH+](C)C)C[C@@H]1C ZINC000331262108 352897647 /nfs/dbraw/zinc/89/76/47/352897647.db2.gz DCYGRSNMOVYQAX-NSHDSACASA-N 2 2 271.361 -0.356 20 0 CBADLP COC(=O)CC[N@H+]1CCN(C(=O)C[NH+](C)C)C[C@@H]1C ZINC000331262108 352897649 /nfs/dbraw/zinc/89/76/49/352897649.db2.gz DCYGRSNMOVYQAX-NSHDSACASA-N 2 2 271.361 -0.356 20 0 CBADLP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000332596703 352968620 /nfs/dbraw/zinc/96/86/20/352968620.db2.gz MAIBBXLBOZDHQO-QWHCGFSZSA-N 2 2 294.399 -0.497 20 0 CBADLP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000332596703 352968624 /nfs/dbraw/zinc/96/86/24/352968624.db2.gz MAIBBXLBOZDHQO-QWHCGFSZSA-N 2 2 294.399 -0.497 20 0 CBADLP CC[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2C[NH+](C)CCO2)C1 ZINC000334050634 353018773 /nfs/dbraw/zinc/01/87/73/353018773.db2.gz RPEUUEOGSXGFBY-NWDGAFQWSA-N 2 2 270.377 -0.290 20 0 CBADLP CC[N@H+]1CC[C@H](NC(=O)NC[C@@H]2C[NH+](C)CCO2)C1 ZINC000334050634 353018775 /nfs/dbraw/zinc/01/87/75/353018775.db2.gz RPEUUEOGSXGFBY-NWDGAFQWSA-N 2 2 270.377 -0.290 20 0 CBADLP CC[NH+]1CC[C@H](NC(=O)NC[C@@H]2C[N@H+](C)CCO2)C1 ZINC000334050634 353018776 /nfs/dbraw/zinc/01/87/76/353018776.db2.gz RPEUUEOGSXGFBY-NWDGAFQWSA-N 2 2 270.377 -0.290 20 0 CBADLP CC[NH+]1CC[C@H](NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000334050634 353018777 /nfs/dbraw/zinc/01/87/77/353018777.db2.gz RPEUUEOGSXGFBY-NWDGAFQWSA-N 2 2 270.377 -0.290 20 0 CBADLP CC[N@@H+]1CC[C@H](NC(=O)NC[C@H]2C[NH+](C)CCO2)C1 ZINC000334050636 353018792 /nfs/dbraw/zinc/01/87/92/353018792.db2.gz RPEUUEOGSXGFBY-RYUDHWBXSA-N 2 2 270.377 -0.290 20 0 CBADLP CC[N@H+]1CC[C@H](NC(=O)NC[C@H]2C[NH+](C)CCO2)C1 ZINC000334050636 353018794 /nfs/dbraw/zinc/01/87/94/353018794.db2.gz RPEUUEOGSXGFBY-RYUDHWBXSA-N 2 2 270.377 -0.290 20 0 CBADLP CC[NH+]1CC[C@H](NC(=O)NC[C@H]2C[N@H+](C)CCO2)C1 ZINC000334050636 353018795 /nfs/dbraw/zinc/01/87/95/353018795.db2.gz RPEUUEOGSXGFBY-RYUDHWBXSA-N 2 2 270.377 -0.290 20 0 CBADLP CC[NH+]1CC[C@H](NC(=O)NC[C@H]2C[N@@H+](C)CCO2)C1 ZINC000334050636 353018798 /nfs/dbraw/zinc/01/87/98/353018798.db2.gz RPEUUEOGSXGFBY-RYUDHWBXSA-N 2 2 270.377 -0.290 20 0 CBADLP [NH3+][C@@H]1CCN(C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)C1 ZINC000335056923 353029709 /nfs/dbraw/zinc/02/97/09/353029709.db2.gz BSAMPBKNTBJKPU-DTWKUNHWSA-N 2 2 262.304 -0.026 20 0 CBADLP CCN1C[C@H]([NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)CC1=O ZINC000333551751 353003251 /nfs/dbraw/zinc/00/32/51/353003251.db2.gz MQOWTPLLOAQDGI-IJLUTSLNSA-N 2 2 255.362 -0.036 20 0 CBADLP C[NH+]1CCN(C(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)CC1 ZINC000333637559 353006112 /nfs/dbraw/zinc/00/61/12/353006112.db2.gz WTFCXPKBRDBNPA-LLVKDONJSA-N 2 2 278.360 -0.410 20 0 CBADLP [NH3+]C[C@@H]1CCCN1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000333788383 353010843 /nfs/dbraw/zinc/01/08/43/353010843.db2.gz MBPBSFBKAFKHDU-LBPRGKRZSA-N 2 2 282.388 -0.016 20 0 CBADLP Cc1ccc(CNC(=O)C[N@H+](C)C[C@@H](O)C[NH3+])cc1 ZINC000336816114 353059457 /nfs/dbraw/zinc/05/94/57/353059457.db2.gz KOPTXYTWTFWJNM-ZDUSSCGKSA-N 2 2 265.357 -0.137 20 0 CBADLP Cc1ccc(CNC(=O)C[N@@H+](C)C[C@@H](O)C[NH3+])cc1 ZINC000336816114 353059459 /nfs/dbraw/zinc/05/94/59/353059459.db2.gz KOPTXYTWTFWJNM-ZDUSSCGKSA-N 2 2 265.357 -0.137 20 0 CBADLP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@@H](OCCO)C1)C1CC1 ZINC000336819422 353059878 /nfs/dbraw/zinc/05/98/78/353059878.db2.gz ZREUXODDGBJYSY-ZIAGYGMSSA-N 2 2 272.389 -0.085 20 0 CBADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@@H](OCCO)C1)C1CC1 ZINC000336819422 353059882 /nfs/dbraw/zinc/05/98/82/353059882.db2.gz ZREUXODDGBJYSY-ZIAGYGMSSA-N 2 2 272.389 -0.085 20 0 CBADLP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@@H](OCCO)C1)C1CC1 ZINC000336819422 353059887 /nfs/dbraw/zinc/05/98/87/353059887.db2.gz ZREUXODDGBJYSY-ZIAGYGMSSA-N 2 2 272.389 -0.085 20 0 CBADLP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@@H](OCCO)C1)C1CC1 ZINC000336819422 353059889 /nfs/dbraw/zinc/05/98/89/353059889.db2.gz ZREUXODDGBJYSY-ZIAGYGMSSA-N 2 2 272.389 -0.085 20 0 CBADLP CC(C)[C@@H]([NH3+])C(=O)NCC(=O)NCCCn1cc[nH+]c1 ZINC000336826436 353061238 /nfs/dbraw/zinc/06/12/38/353061238.db2.gz OONMRLCIAJAWRP-GFCCVEGCSA-N 2 2 281.360 -0.511 20 0 CBADLP C[N@H+](CCn1cc[nH+]c1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000336792410 353053506 /nfs/dbraw/zinc/05/35/06/353053506.db2.gz RZOGBMQUXVPVGR-NSHDSACASA-N 2 2 272.374 -0.151 20 0 CBADLP C[N@@H+](CCn1cc[nH+]c1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000336792410 353053509 /nfs/dbraw/zinc/05/35/09/353053509.db2.gz RZOGBMQUXVPVGR-NSHDSACASA-N 2 2 272.374 -0.151 20 0 CBADLP C[N@H+](CCC[NH+]1CCCC1)CC(=O)N1CCNC1=O ZINC000337277927 353080628 /nfs/dbraw/zinc/08/06/28/353080628.db2.gz SEZVOQIIXSUEGG-UHFFFAOYSA-N 2 2 268.361 -0.044 20 0 CBADLP C[N@@H+](CCC[NH+]1CCCC1)CC(=O)N1CCNC1=O ZINC000337277927 353080630 /nfs/dbraw/zinc/08/06/30/353080630.db2.gz SEZVOQIIXSUEGG-UHFFFAOYSA-N 2 2 268.361 -0.044 20 0 CBADLP C[N@@H+]1CC[C@@](O)(CNC(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC000338185341 353088599 /nfs/dbraw/zinc/08/85/99/353088599.db2.gz GAACLPFAFJDRSM-CQSZACIVSA-N 2 2 285.388 -0.720 20 0 CBADLP C[N@H+]1CC[C@@](O)(CNC(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC000338185341 353088602 /nfs/dbraw/zinc/08/86/02/353088602.db2.gz GAACLPFAFJDRSM-CQSZACIVSA-N 2 2 285.388 -0.720 20 0 CBADLP C[C@H](O)C[NH+]1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC000338226332 353089886 /nfs/dbraw/zinc/08/98/86/353089886.db2.gz SWNCFGOQVFLROM-ZDUSSCGKSA-N 2 2 299.415 -0.378 20 0 CBADLP C[C@H]1CO[C@@H](CO)C[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338271581 353092845 /nfs/dbraw/zinc/09/28/45/353092845.db2.gz NNRJTYGXDHQZBM-QWHCGFSZSA-N 2 2 285.388 -0.768 20 0 CBADLP C[C@H]1CO[C@@H](CO)C[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338271581 353092847 /nfs/dbraw/zinc/09/28/47/353092847.db2.gz NNRJTYGXDHQZBM-QWHCGFSZSA-N 2 2 285.388 -0.768 20 0 CBADLP CC[NH+](CC)CCS(=O)(=O)N1CC[NH+](CCO)CC1 ZINC000340051163 353146338 /nfs/dbraw/zinc/14/63/38/353146338.db2.gz JYUDJIBMGFAMPP-UHFFFAOYSA-N 2 2 293.433 -0.732 20 0 CBADLP CN1C[C@H](C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC1=O ZINC000177149490 137638630 /nfs/dbraw/zinc/63/86/30/137638630.db2.gz NWHKYBNRZFSSMH-GFCCVEGCSA-N 2 2 296.415 -0.393 20 0 CBADLP CN(C)C(=O)CNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000340249050 353160059 /nfs/dbraw/zinc/16/00/59/353160059.db2.gz CQRFBPDSGJZTIS-UHFFFAOYSA-N 2 2 299.419 -0.600 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@H]([NH3+])CCC(=O)OC)CC1 ZINC000342766230 353231668 /nfs/dbraw/zinc/23/16/68/353231668.db2.gz SWTIGMXSVFPOCL-LLVKDONJSA-N 2 2 287.360 -0.943 20 0 CBADLP COC(=O)CC[C@H]([NH3+])C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000342765388 353232001 /nfs/dbraw/zinc/23/20/01/353232001.db2.gz NRYZRXDHCHFYPG-QWRGUYRKSA-N 2 2 287.360 -0.896 20 0 CBADLP Cc1c[nH+]c(CN(C)C[C@@H](O)C[NH+]2CCOCC2)n1C ZINC000342775597 353232839 /nfs/dbraw/zinc/23/28/39/353232839.db2.gz HAZKHMOPHHPIIT-CYBMUJFWSA-N 2 2 282.388 -0.147 20 0 CBADLP C[C@H](C(=O)N1CC[C@H]([NH+](C)C)C1)[NH+]1CCOCC1 ZINC000342859772 353236625 /nfs/dbraw/zinc/23/66/25/353236625.db2.gz XYPHINUUAKZLHS-NEPJUHHUSA-N 2 2 255.362 -0.130 20 0 CBADLP [NH3+]CCOc1ccc(NC(=O)CN2CC[NH2+]CC2=O)cc1 ZINC000342623643 353224511 /nfs/dbraw/zinc/22/45/11/353224511.db2.gz WJSBOITWQSQOMG-UHFFFAOYSA-N 2 2 292.339 -0.606 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CCC[NH2+]C1 ZINC000342699920 353228160 /nfs/dbraw/zinc/22/81/60/353228160.db2.gz WVHZMBDOQFWWET-NEPJUHHUSA-N 2 2 255.362 -0.177 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1CCC[NH2+]C1 ZINC000342699920 353228161 /nfs/dbraw/zinc/22/81/61/353228161.db2.gz WVHZMBDOQFWWET-NEPJUHHUSA-N 2 2 255.362 -0.177 20 0 CBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CC(N)=O ZINC000343658472 353283080 /nfs/dbraw/zinc/28/30/80/353283080.db2.gz LXVSIKWHDWROFE-UHFFFAOYSA-N 2 2 270.377 -0.654 20 0 CBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CC(N)=O ZINC000343658472 353283081 /nfs/dbraw/zinc/28/30/81/353283081.db2.gz LXVSIKWHDWROFE-UHFFFAOYSA-N 2 2 270.377 -0.654 20 0 CBADLP CNC(=O)NC(=O)C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156343898 188256543 /nfs/dbraw/zinc/25/65/43/188256543.db2.gz CCGNSZRUZMADJW-NSHDSACASA-N 2 2 278.312 -0.010 20 0 CBADLP CNC(=O)NC(=O)C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156343898 188256544 /nfs/dbraw/zinc/25/65/44/188256544.db2.gz CCGNSZRUZMADJW-NSHDSACASA-N 2 2 278.312 -0.010 20 0 CBADLP COC(=O)CC[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000343860471 353294500 /nfs/dbraw/zinc/29/45/00/353294500.db2.gz FTEBJRXMGFNJFO-VXGBXAGGSA-N 2 2 299.371 -0.754 20 0 CBADLP COC(=O)CC[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000343860471 353294503 /nfs/dbraw/zinc/29/45/03/353294503.db2.gz FTEBJRXMGFNJFO-VXGBXAGGSA-N 2 2 299.371 -0.754 20 0 CBADLP COC(=O)CC[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000343860470 353294745 /nfs/dbraw/zinc/29/47/45/353294745.db2.gz FTEBJRXMGFNJFO-RYUDHWBXSA-N 2 2 299.371 -0.754 20 0 CBADLP COC(=O)CC[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000343860470 353294747 /nfs/dbraw/zinc/29/47/47/353294747.db2.gz FTEBJRXMGFNJFO-RYUDHWBXSA-N 2 2 299.371 -0.754 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)[C@H]1CCC[NH2+]C1 ZINC000343873874 353295259 /nfs/dbraw/zinc/29/52/59/353295259.db2.gz MVIAOYQSFVHBSN-LBPRGKRZSA-N 2 2 255.362 -0.223 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)[C@@H]1CCC[NH2+]C1 ZINC000343873873 353295427 /nfs/dbraw/zinc/29/54/27/353295427.db2.gz MVIAOYQSFVHBSN-GFCCVEGCSA-N 2 2 255.362 -0.223 20 0 CBADLP CC(C)[C@H](CNC(=O)[C@@H]1[NH2+]CCO[C@@H]1C)[NH+]1CCOCC1 ZINC000344492096 353305468 /nfs/dbraw/zinc/30/54/68/353305468.db2.gz PKKHMKOVLIDLFD-HZSPNIEDSA-N 2 2 299.415 -0.164 20 0 CBADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)[C@H]1C[NH+](C)CCO1 ZINC000345407546 353328358 /nfs/dbraw/zinc/32/83/58/353328358.db2.gz QUPPRZDSYBMPCO-CYBMUJFWSA-N 2 2 299.415 -0.114 20 0 CBADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)[C@H]1C[NH+](C)CCO1 ZINC000345407546 353328361 /nfs/dbraw/zinc/32/83/61/353328361.db2.gz QUPPRZDSYBMPCO-CYBMUJFWSA-N 2 2 299.415 -0.114 20 0 CBADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000345407546 353328363 /nfs/dbraw/zinc/32/83/63/353328363.db2.gz QUPPRZDSYBMPCO-CYBMUJFWSA-N 2 2 299.415 -0.114 20 0 CBADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000345407546 353328367 /nfs/dbraw/zinc/32/83/67/353328367.db2.gz QUPPRZDSYBMPCO-CYBMUJFWSA-N 2 2 299.415 -0.114 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000345673293 353342865 /nfs/dbraw/zinc/34/28/65/353342865.db2.gz GAGXYMSMXBGZLA-LBPRGKRZSA-N 2 2 271.361 -0.892 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000345673293 353342867 /nfs/dbraw/zinc/34/28/67/353342867.db2.gz GAGXYMSMXBGZLA-LBPRGKRZSA-N 2 2 271.361 -0.892 20 0 CBADLP COC[C@@H](O)C[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000346633887 353386663 /nfs/dbraw/zinc/38/66/63/353386663.db2.gz ATTDVHASAPCFPT-LBPRGKRZSA-N 2 2 295.387 -0.328 20 0 CBADLP O=C(CCOC1C[NH2+]C1)NCCCn1cc[nH+]c1 ZINC000348987071 353443090 /nfs/dbraw/zinc/44/30/90/353443090.db2.gz DJAOJUJGLRUCKE-UHFFFAOYSA-N 2 2 252.318 -0.232 20 0 CBADLP O=C(CCn1cc[nH+]c1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261625164 137696187 /nfs/dbraw/zinc/69/61/87/137696187.db2.gz AOBITRBXOJUUSG-ZDUSSCGKSA-N 2 2 277.372 -0.221 20 0 CBADLP C[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)[C@@]1(CO)CCOC1 ZINC000351612839 353476771 /nfs/dbraw/zinc/47/67/71/353476771.db2.gz YMICPIYXXDEDJK-QWHCGFSZSA-N 2 2 258.362 -0.475 20 0 CBADLP C[NH+](C[C@@H](O)C[N@H+](C)C1CC1)[C@@]1(CO)CCOC1 ZINC000351612839 353476773 /nfs/dbraw/zinc/47/67/73/353476773.db2.gz YMICPIYXXDEDJK-QWHCGFSZSA-N 2 2 258.362 -0.475 20 0 CBADLP C[NH+](C[C@H](O)C[N@H+](C)[C@@]1(CO)CCOC1)C1CC1 ZINC000351612839 353476777 /nfs/dbraw/zinc/47/67/77/353476777.db2.gz YMICPIYXXDEDJK-QWHCGFSZSA-N 2 2 258.362 -0.475 20 0 CBADLP C[NH+](C[C@H](O)C[N@@H+](C)[C@@]1(CO)CCOC1)C1CC1 ZINC000351612839 353476779 /nfs/dbraw/zinc/47/67/79/353476779.db2.gz YMICPIYXXDEDJK-QWHCGFSZSA-N 2 2 258.362 -0.475 20 0 CBADLP CNC(=O)CC[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000352235251 353478791 /nfs/dbraw/zinc/47/87/91/353478791.db2.gz SWGNRUVLTSRCKY-UHFFFAOYSA-N 2 2 292.387 -0.199 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH+]2CCOC[C@@H]2C)C1 ZINC000353119138 353522148 /nfs/dbraw/zinc/52/21/48/353522148.db2.gz YWDXAEXTHABLHJ-STQMWFEESA-N 2 2 285.388 -0.456 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)NCC[NH+]2CCOC[C@@H]2C)C1 ZINC000353119138 353522150 /nfs/dbraw/zinc/52/21/50/353522150.db2.gz YWDXAEXTHABLHJ-STQMWFEESA-N 2 2 285.388 -0.456 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)NCC[N@@H+]2CCOC[C@@H]2C)C1 ZINC000353119138 353522152 /nfs/dbraw/zinc/52/21/52/353522152.db2.gz YWDXAEXTHABLHJ-STQMWFEESA-N 2 2 285.388 -0.456 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)NCC[N@H+]2CCOC[C@@H]2C)C1 ZINC000353119138 353522156 /nfs/dbraw/zinc/52/21/56/353522156.db2.gz YWDXAEXTHABLHJ-STQMWFEESA-N 2 2 285.388 -0.456 20 0 CBADLP CCC[C@@](C)([NH3+])C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000353168074 353524571 /nfs/dbraw/zinc/52/45/71/353524571.db2.gz ASXGOYFQZYUUGJ-CQSZACIVSA-N 2 2 284.404 -0.088 20 0 CBADLP C[N@H+](CCNC(=O)NCC[NH+]1CCOCC1)C1CC1 ZINC000352608533 353495731 /nfs/dbraw/zinc/49/57/31/353495731.db2.gz MHPGRQRQCRIDCY-UHFFFAOYSA-N 2 2 270.377 -0.288 20 0 CBADLP C[N@@H+](CCNC(=O)NCC[NH+]1CCOCC1)C1CC1 ZINC000352608533 353495733 /nfs/dbraw/zinc/49/57/33/353495733.db2.gz MHPGRQRQCRIDCY-UHFFFAOYSA-N 2 2 270.377 -0.288 20 0 CBADLP CC[NH+]1CCC(NC(=O)C[N@H+](C)[C@H]2CCN(C)C2=O)CC1 ZINC000352677822 353500907 /nfs/dbraw/zinc/50/09/07/353500907.db2.gz WRSMJIREYXWAEG-ZDUSSCGKSA-N 2 2 296.415 -0.251 20 0 CBADLP CC[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H]2CCN(C)C2=O)CC1 ZINC000352677822 353500911 /nfs/dbraw/zinc/50/09/11/353500911.db2.gz WRSMJIREYXWAEG-ZDUSSCGKSA-N 2 2 296.415 -0.251 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+][C@H](CO)C2CCCC2)CC1 ZINC000352709676 353503004 /nfs/dbraw/zinc/50/30/04/353503004.db2.gz NEYIZAQLZFKYPP-CYBMUJFWSA-N 2 2 269.389 -0.099 20 0 CBADLP C[NH+](C)Cc1cnc(C[NH2+]CCNS(C)(=O)=O)s1 ZINC000352769608 353504671 /nfs/dbraw/zinc/50/46/71/353504671.db2.gz NKHQBAMHTTWDGX-UHFFFAOYSA-N 2 2 292.430 -0.157 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@@H]2COCCO2)CC1 ZINC000354920944 353584303 /nfs/dbraw/zinc/58/43/03/353584303.db2.gz PGMGSPKBPIEVKL-KGLIPLIRSA-N 2 2 297.399 -0.360 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@@H]2COCCO2)CC1 ZINC000354920944 353584306 /nfs/dbraw/zinc/58/43/06/353584306.db2.gz PGMGSPKBPIEVKL-KGLIPLIRSA-N 2 2 297.399 -0.360 20 0 CBADLP C[C@@H]1[C@@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000356757781 353599343 /nfs/dbraw/zinc/59/93/43/353599343.db2.gz AQNRYVRVWRAECE-RDBSUJKOSA-N 2 2 297.399 -0.361 20 0 CBADLP C[C@@H]1[C@@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000356757781 353599345 /nfs/dbraw/zinc/59/93/45/353599345.db2.gz AQNRYVRVWRAECE-RDBSUJKOSA-N 2 2 297.399 -0.361 20 0 CBADLP C[NH2+]CCC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000357247343 353601465 /nfs/dbraw/zinc/60/14/65/353601465.db2.gz ZPENPRQUGBOILF-UHFFFAOYSA-N 2 2 292.387 -0.676 20 0 CBADLP C[C@@H](CNC(=O)C[C@H]1COCC[NH2+]1)CN1CC[NH+](C)CC1 ZINC000357249347 353601540 /nfs/dbraw/zinc/60/15/40/353601540.db2.gz SEIMIBBCWPACAT-KBPBESRZSA-N 2 2 298.431 -0.635 20 0 CBADLP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000354427688 353559971 /nfs/dbraw/zinc/55/99/71/353559971.db2.gz UOMDOTLTYGJCNO-UONOGXRCSA-N 2 2 298.431 -0.541 20 0 CBADLP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000354427688 353559976 /nfs/dbraw/zinc/55/99/76/353559976.db2.gz UOMDOTLTYGJCNO-UONOGXRCSA-N 2 2 298.431 -0.541 20 0 CBADLP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000354427688 353559977 /nfs/dbraw/zinc/55/99/77/353559977.db2.gz UOMDOTLTYGJCNO-UONOGXRCSA-N 2 2 298.431 -0.541 20 0 CBADLP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000354427688 353559982 /nfs/dbraw/zinc/55/99/82/353559982.db2.gz UOMDOTLTYGJCNO-UONOGXRCSA-N 2 2 298.431 -0.541 20 0 CBADLP C[N@@H+]1CC[C@](O)(CNC(=O)C2([NH+]3CCOCC3)CCC2)C1 ZINC000358069370 353624527 /nfs/dbraw/zinc/62/45/27/353624527.db2.gz SMGCPYWGVWNETK-AWEZNQCLSA-N 2 2 297.399 -0.576 20 0 CBADLP C[N@H+]1CC[C@](O)(CNC(=O)C2([NH+]3CCOCC3)CCC2)C1 ZINC000358069370 353624530 /nfs/dbraw/zinc/62/45/30/353624530.db2.gz SMGCPYWGVWNETK-AWEZNQCLSA-N 2 2 297.399 -0.576 20 0 CBADLP COCC[NH+]1CCC([NH2+][C@@H]2CC(=O)N(C)C2)CC1 ZINC000358092018 353626301 /nfs/dbraw/zinc/62/63/01/353626301.db2.gz XROBROFBJNWYDW-GFCCVEGCSA-N 2 2 255.362 -0.083 20 0 CBADLP CN(C)c1ncc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cn1 ZINC000358129729 353628485 /nfs/dbraw/zinc/62/84/85/353628485.db2.gz DSNAHRDDHXDURN-ZDUSSCGKSA-N 2 2 265.361 -0.301 20 0 CBADLP CN(C)c1ncc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cn1 ZINC000358129729 353628487 /nfs/dbraw/zinc/62/84/87/353628487.db2.gz DSNAHRDDHXDURN-ZDUSSCGKSA-N 2 2 265.361 -0.301 20 0 CBADLP COCCn1cc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cn1 ZINC000358158213 353630320 /nfs/dbraw/zinc/63/03/20/353630320.db2.gz AANJWDMMOPIPEJ-ZDUSSCGKSA-N 2 2 268.361 -0.314 20 0 CBADLP COCCn1cc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cn1 ZINC000358158213 353630322 /nfs/dbraw/zinc/63/03/22/353630322.db2.gz AANJWDMMOPIPEJ-ZDUSSCGKSA-N 2 2 268.361 -0.314 20 0 CBADLP CO[C@H](C)[C@@H](C)[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000358159627 353630366 /nfs/dbraw/zinc/63/03/66/353630366.db2.gz REVXGMRZPWPGFH-MGPQQGTHSA-N 2 2 299.415 -0.068 20 0 CBADLP C[C@@H](C[NH+](C)C)NC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000358495646 353648487 /nfs/dbraw/zinc/64/84/87/353648487.db2.gz INMQJLWDPVXJQP-NSHDSACASA-N 2 2 299.419 -0.472 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@@H](C)[NH+]1C ZINC000358704892 353650578 /nfs/dbraw/zinc/65/05/78/353650578.db2.gz ATDXCARBELOCSC-UTUOFQBUSA-N 2 2 255.362 -0.132 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@@H](C)[NH+]1C ZINC000358704892 353650581 /nfs/dbraw/zinc/65/05/81/353650581.db2.gz ATDXCARBELOCSC-UTUOFQBUSA-N 2 2 255.362 -0.132 20 0 CBADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@@]2(C)CCCC[NH2+]2)CC1 ZINC000357803332 353606798 /nfs/dbraw/zinc/60/67/98/353606798.db2.gz HZTMAROOXJJYQS-OAHLLOKOSA-N 2 2 296.415 -0.073 20 0 CBADLP C[NH+](C)CCN(C(=O)C[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC000357882169 353611758 /nfs/dbraw/zinc/61/17/58/353611758.db2.gz RANHHUFNNUAIRC-NSHDSACASA-N 2 2 291.417 -0.875 20 0 CBADLP O=C(NCc1cn2ccccc2[nH+]1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000357916740 353614070 /nfs/dbraw/zinc/61/40/70/353614070.db2.gz HYNKLULWIBWRDJ-WDEREUQCSA-N 2 2 260.297 -0.327 20 0 CBADLP O=C(NCc1cn2ccccc2[nH+]1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000357916724 353614383 /nfs/dbraw/zinc/61/43/83/353614383.db2.gz HYNKLULWIBWRDJ-MNOVXSKESA-N 2 2 260.297 -0.327 20 0 CBADLP CN(C)c1[nH+]cccc1CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000357928348 353614979 /nfs/dbraw/zinc/61/49/79/353614979.db2.gz RPRFQTSCRCWQMR-GHMZBOCLSA-N 2 2 264.329 -0.513 20 0 CBADLP CCCC[N@H+](C)CCNC(=O)C(=O)N1CC[NH+](CC)CC1 ZINC000357975787 353618262 /nfs/dbraw/zinc/61/82/62/353618262.db2.gz QVXWPPFAFKYVTQ-UHFFFAOYSA-N 2 2 298.431 -0.001 20 0 CBADLP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[NH+](CC)CC1 ZINC000357975787 353618267 /nfs/dbraw/zinc/61/82/67/353618267.db2.gz QVXWPPFAFKYVTQ-UHFFFAOYSA-N 2 2 298.431 -0.001 20 0 CBADLP Cc1nc(N2CC[NH+]([C@H]3COC[C@H]3O)CC2)cc[nH+]1 ZINC000361337264 353661646 /nfs/dbraw/zinc/66/16/46/353661646.db2.gz UPFFTOYTMXYATE-NWDGAFQWSA-N 2 2 264.329 -0.333 20 0 CBADLP C[NH2+]C[C@H](C)C(=O)N1CCC[N@H+](CC(=O)NC(C)C)CC1 ZINC000361717450 353663307 /nfs/dbraw/zinc/66/33/07/353663307.db2.gz DJRNDIDAXYCIMA-ZDUSSCGKSA-N 2 2 298.431 -0.099 20 0 CBADLP C[NH2+]C[C@H](C)C(=O)N1CCC[N@@H+](CC(=O)NC(C)C)CC1 ZINC000361717450 353663311 /nfs/dbraw/zinc/66/33/11/353663311.db2.gz DJRNDIDAXYCIMA-ZDUSSCGKSA-N 2 2 298.431 -0.099 20 0 CBADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000362677000 353667574 /nfs/dbraw/zinc/66/75/74/353667574.db2.gz WPOMUVAIULHBJR-KBPBESRZSA-N 3 2 280.416 -0.118 20 0 CBADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000362677000 353667576 /nfs/dbraw/zinc/66/75/76/353667576.db2.gz WPOMUVAIULHBJR-KBPBESRZSA-N 3 2 280.416 -0.118 20 0 CBADLP O=C(C1C[NH2+]C1)N1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000367820367 353683820 /nfs/dbraw/zinc/68/38/20/353683820.db2.gz IMWNHDSDTIDEGY-GFCCVEGCSA-N 2 2 280.372 -0.981 20 0 CBADLP CCOCC[NH+]1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC000371814832 353706107 /nfs/dbraw/zinc/70/61/07/353706107.db2.gz OHSDQUDACMVATE-AWEZNQCLSA-N 2 2 299.415 -0.112 20 0 CBADLP CCOCC[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC000371814832 353706110 /nfs/dbraw/zinc/70/61/10/353706110.db2.gz OHSDQUDACMVATE-AWEZNQCLSA-N 2 2 299.415 -0.112 20 0 CBADLP C[C@H]1CC(=O)NCC[NH+]1CCC[N@H+]1CCNC(=O)C[C@@H]1C ZINC000372333470 353715007 /nfs/dbraw/zinc/71/50/07/353715007.db2.gz OLPGDHDSRUFVHL-STQMWFEESA-N 2 2 296.415 -0.203 20 0 CBADLP CC(C)[C@@H](O)C[N@@H+]1CCO[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000373004524 353724945 /nfs/dbraw/zinc/72/49/45/353724945.db2.gz YJJNYVQVNIFQDY-GJZGRUSLSA-N 2 2 285.432 -0.049 20 0 CBADLP C[NH+](C)[C@@H]1CCC[N@H+](CCNS(C)(=O)=O)CC1 ZINC000372989497 353724954 /nfs/dbraw/zinc/72/49/54/353724954.db2.gz IIQDHNWUJGKXJS-LLVKDONJSA-N 2 2 263.407 -0.048 20 0 CBADLP C[NH+](C)[C@@H]1CCC[N@@H+](CCNS(C)(=O)=O)CC1 ZINC000372989497 353724955 /nfs/dbraw/zinc/72/49/55/353724955.db2.gz IIQDHNWUJGKXJS-LLVKDONJSA-N 2 2 263.407 -0.048 20 0 CBADLP CC(C)([NH3+])C(=O)N1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000373089650 353725696 /nfs/dbraw/zinc/72/56/96/353725696.db2.gz YYFZLSZVXUXGKB-LLVKDONJSA-N 2 2 282.388 -0.463 20 0 CBADLP NS(=O)(=O)N1CCC[N@H+](CCCn2cc[nH+]c2)CC1 ZINC000373218298 353727809 /nfs/dbraw/zinc/72/78/09/353727809.db2.gz SQEHJQOBVAPLNR-UHFFFAOYSA-N 2 2 287.389 -0.516 20 0 CBADLP NS(=O)(=O)N1CCC[N@@H+](CCCn2cc[nH+]c2)CC1 ZINC000373218298 353727811 /nfs/dbraw/zinc/72/78/11/353727811.db2.gz SQEHJQOBVAPLNR-UHFFFAOYSA-N 2 2 287.389 -0.516 20 0 CBADLP C[C@H](C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1)[NH+]1CCN(C)CC1 ZINC000373251644 353729637 /nfs/dbraw/zinc/72/96/37/353729637.db2.gz XPEUGOSGQJVSDS-MCIONIFRSA-N 2 2 280.416 -0.358 20 0 CBADLP C[C@H](C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1)[NH+]1CCN(C)CC1 ZINC000373251644 353729638 /nfs/dbraw/zinc/72/96/38/353729638.db2.gz XPEUGOSGQJVSDS-MCIONIFRSA-N 2 2 280.416 -0.358 20 0 CBADLP C[N@@H+]1CCN(C2CC[NH+](CCOCCO)CC2)C(=O)C1 ZINC000374766449 353749442 /nfs/dbraw/zinc/74/94/42/353749442.db2.gz MQZBWYFXOKAUGP-UHFFFAOYSA-N 2 2 285.388 -0.766 20 0 CBADLP C[N@H+]1CCN(C2CC[NH+](CCOCCO)CC2)C(=O)C1 ZINC000374766449 353749444 /nfs/dbraw/zinc/74/94/44/353749444.db2.gz MQZBWYFXOKAUGP-UHFFFAOYSA-N 2 2 285.388 -0.766 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@]3(CNC(=O)O3)C2)CC1 ZINC000375568641 353763589 /nfs/dbraw/zinc/76/35/89/353763589.db2.gz DTKUFIKPNNCSCM-CQSZACIVSA-N 2 2 296.371 -0.665 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@]3(CNC(=O)O3)C2)CC1 ZINC000375568641 353763593 /nfs/dbraw/zinc/76/35/93/353763593.db2.gz DTKUFIKPNNCSCM-CQSZACIVSA-N 2 2 296.371 -0.665 20 0 CBADLP C[N@H+](CC(=O)N1CCNC(=O)C1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375758263 353766928 /nfs/dbraw/zinc/76/69/28/353766928.db2.gz OPGNATJUZKFYAE-FUNVUKJBSA-N 2 2 294.399 -0.498 20 0 CBADLP C[N@@H+](CC(=O)N1CCNC(=O)C1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375758263 353766930 /nfs/dbraw/zinc/76/69/30/353766930.db2.gz OPGNATJUZKFYAE-FUNVUKJBSA-N 2 2 294.399 -0.498 20 0 CBADLP C[NH+](CC(=O)N1CCNC(=O)C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375758263 353766932 /nfs/dbraw/zinc/76/69/32/353766932.db2.gz OPGNATJUZKFYAE-FUNVUKJBSA-N 2 2 294.399 -0.498 20 0 CBADLP C[NH+](CC(=O)N1CCNC(=O)C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375758263 353766934 /nfs/dbraw/zinc/76/69/34/353766934.db2.gz OPGNATJUZKFYAE-FUNVUKJBSA-N 2 2 294.399 -0.498 20 0 CBADLP C[C@H]1OCC[C@]12C[N@H+](CC(=O)N1CC[NH+](C)CC1)CCO2 ZINC000375926065 353769918 /nfs/dbraw/zinc/76/99/18/353769918.db2.gz CZCFEHDGJOXLON-HIFRSBDPSA-N 2 2 297.399 -0.360 20 0 CBADLP C[C@H]1OCC[C@]12C[N@@H+](CC(=O)N1CC[NH+](C)CC1)CCO2 ZINC000375926065 353769920 /nfs/dbraw/zinc/76/99/20/353769920.db2.gz CZCFEHDGJOXLON-HIFRSBDPSA-N 2 2 297.399 -0.360 20 0 CBADLP CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCC[N@H+](CC(=O)NC)CC1 ZINC000376820713 353776586 /nfs/dbraw/zinc/77/65/86/353776586.db2.gz BNKOXMVRTOXPEE-DGCLKSJQSA-N 2 2 284.404 -0.360 20 0 CBADLP CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCC[N@@H+](CC(=O)NC)CC1 ZINC000376820713 353776587 /nfs/dbraw/zinc/77/65/87/353776587.db2.gz BNKOXMVRTOXPEE-DGCLKSJQSA-N 2 2 284.404 -0.360 20 0 CBADLP Cn1nncc1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000374231113 353742937 /nfs/dbraw/zinc/74/29/37/353742937.db2.gz OSLPLTOQHGCKLS-NSHDSACASA-N 2 2 292.387 -0.287 20 0 CBADLP Cn1nncc1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000374231113 353742940 /nfs/dbraw/zinc/74/29/40/353742940.db2.gz OSLPLTOQHGCKLS-NSHDSACASA-N 2 2 292.387 -0.287 20 0 CBADLP C[C@H]([NH2+][C@H]1CCN(S(C)(=O)=O)C1)[C@@H]1CCC[NH2+]1 ZINC000400179608 353799527 /nfs/dbraw/zinc/79/95/27/353799527.db2.gz QVBGDYUKSAVBQR-DCAQKATOSA-N 2 2 261.391 -0.250 20 0 CBADLP O[C@H](CN1CC[NH+](CCCF)CC1)C[NH+]1CCOCC1 ZINC000402527708 353804368 /nfs/dbraw/zinc/80/43/68/353804368.db2.gz IVNUBUBRIDPNLW-CQSZACIVSA-N 2 2 289.395 -0.343 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](COC)C1 ZINC000386184238 353787960 /nfs/dbraw/zinc/78/79/60/353787960.db2.gz UPOGVBHWQLSSRJ-STQMWFEESA-N 2 2 260.378 -0.106 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](COC)C1 ZINC000386184238 353787964 /nfs/dbraw/zinc/78/79/64/353787964.db2.gz UPOGVBHWQLSSRJ-STQMWFEESA-N 2 2 260.378 -0.106 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](COC)C1 ZINC000386184238 353787968 /nfs/dbraw/zinc/78/79/68/353787968.db2.gz UPOGVBHWQLSSRJ-STQMWFEESA-N 2 2 260.378 -0.106 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](COC)C1 ZINC000386184238 353787969 /nfs/dbraw/zinc/78/79/69/353787969.db2.gz UPOGVBHWQLSSRJ-STQMWFEESA-N 2 2 260.378 -0.106 20 0 CBADLP CC(C)[N@@H+](C)C[C@@H](C)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000388279547 353789543 /nfs/dbraw/zinc/78/95/43/353789543.db2.gz QFBKTSCJAQUVOZ-ZIAGYGMSSA-N 2 2 273.421 -0.002 20 0 CBADLP CC(C)[N@H+](C)C[C@@H](C)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000388279547 353789544 /nfs/dbraw/zinc/78/95/44/353789544.db2.gz QFBKTSCJAQUVOZ-ZIAGYGMSSA-N 2 2 273.421 -0.002 20 0 CBADLP CC[C@@](C)([NH3+])c1cn(C[C@@H](O)C[NH+]2CCOCC2)nn1 ZINC000395262276 353795296 /nfs/dbraw/zinc/79/52/96/353795296.db2.gz JPLGVMDMOWTLFW-WCQYABFASA-N 2 2 283.376 -0.445 20 0 CBADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NC(N)=O)C[C@@H]1C ZINC000408218183 353874632 /nfs/dbraw/zinc/87/46/32/353874632.db2.gz PRTOHZJQLXPDOQ-VHSXEESVSA-N 2 2 256.350 -0.014 20 0 CBADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NC(N)=O)C[C@@H]1C ZINC000408218183 353874634 /nfs/dbraw/zinc/87/46/34/353874634.db2.gz PRTOHZJQLXPDOQ-VHSXEESVSA-N 2 2 256.350 -0.014 20 0 CBADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NC(N)=O)C[C@@H]1C ZINC000408218183 353874636 /nfs/dbraw/zinc/87/46/36/353874636.db2.gz PRTOHZJQLXPDOQ-VHSXEESVSA-N 2 2 256.350 -0.014 20 0 CBADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NC(N)=O)C[C@@H]1C ZINC000408218183 353874637 /nfs/dbraw/zinc/87/46/37/353874637.db2.gz PRTOHZJQLXPDOQ-VHSXEESVSA-N 2 2 256.350 -0.014 20 0 CBADLP C[C@@H]1[C@H]([NH+](C)CCO)CCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000408080792 353845793 /nfs/dbraw/zinc/84/57/93/353845793.db2.gz CJCBZXRTGKQCRM-UPJWGTAASA-N 2 2 285.388 -0.770 20 0 CBADLP C[C@@H]1[C@H]([NH+](C)CCO)CCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000408080792 353845796 /nfs/dbraw/zinc/84/57/96/353845796.db2.gz CJCBZXRTGKQCRM-UPJWGTAASA-N 2 2 285.388 -0.770 20 0 CBADLP C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000408080792 353845798 /nfs/dbraw/zinc/84/57/98/353845798.db2.gz CJCBZXRTGKQCRM-UPJWGTAASA-N 2 2 285.388 -0.770 20 0 CBADLP C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000408080792 353845802 /nfs/dbraw/zinc/84/58/02/353845802.db2.gz CJCBZXRTGKQCRM-UPJWGTAASA-N 2 2 285.388 -0.770 20 0 CBADLP C[C@@H](C(=O)N1CC[N@H+](CCO)[C@H](C)C1)N1CC[NH+](C)CC1 ZINC000408376610 353907453 /nfs/dbraw/zinc/90/74/53/353907453.db2.gz NULAWWXZUIEVKU-KGLIPLIRSA-N 2 2 298.431 -0.853 20 0 CBADLP C[C@@H](C(=O)N1CC[N@@H+](CCO)[C@H](C)C1)N1CC[NH+](C)CC1 ZINC000408376610 353907457 /nfs/dbraw/zinc/90/74/57/353907457.db2.gz NULAWWXZUIEVKU-KGLIPLIRSA-N 2 2 298.431 -0.853 20 0 CBADLP C[C@H](C(=O)N1CC[N@H+](CCO)[C@@H](C)C1)N1CC[NH+](C)CC1 ZINC000408376613 353907614 /nfs/dbraw/zinc/90/76/14/353907614.db2.gz NULAWWXZUIEVKU-UONOGXRCSA-N 2 2 298.431 -0.853 20 0 CBADLP C[C@H](C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1)N1CC[NH+](C)CC1 ZINC000408376613 353907616 /nfs/dbraw/zinc/90/76/16/353907616.db2.gz NULAWWXZUIEVKU-UONOGXRCSA-N 2 2 298.431 -0.853 20 0 CBADLP C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000408438532 353918509 /nfs/dbraw/zinc/91/85/09/353918509.db2.gz IXEMCWMABCUNGG-CHWSQXEVSA-N 2 2 292.383 -0.030 20 0 CBADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[NH+](C)CC2)C[C@@H]1C ZINC000410714302 353935627 /nfs/dbraw/zinc/93/56/27/353935627.db2.gz SVKHYRKGRLUPDV-STQMWFEESA-N 2 2 296.415 -0.299 20 0 CBADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[NH+](C)CC2)C[C@@H]1C ZINC000410714302 353935628 /nfs/dbraw/zinc/93/56/28/353935628.db2.gz SVKHYRKGRLUPDV-STQMWFEESA-N 2 2 296.415 -0.299 20 0 CBADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[NH+](C)CC2)C[C@H]1C ZINC000410714298 353935790 /nfs/dbraw/zinc/93/57/90/353935790.db2.gz SVKHYRKGRLUPDV-OLZOCXBDSA-N 2 2 296.415 -0.299 20 0 CBADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[NH+](C)CC2)C[C@H]1C ZINC000410714298 353935794 /nfs/dbraw/zinc/93/57/94/353935794.db2.gz SVKHYRKGRLUPDV-OLZOCXBDSA-N 2 2 296.415 -0.299 20 0 CBADLP COCC(COC)[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000412436804 353947215 /nfs/dbraw/zinc/94/72/15/353947215.db2.gz PKTNXWIYIDIYJS-CQSZACIVSA-N 2 2 299.415 -0.114 20 0 CBADLP COCC(COC)[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000412436804 353947217 /nfs/dbraw/zinc/94/72/17/353947217.db2.gz PKTNXWIYIDIYJS-CQSZACIVSA-N 2 2 299.415 -0.114 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCc3n[nH]c(=O)cc3C2)CC1 ZINC000408340528 353898326 /nfs/dbraw/zinc/89/83/26/353898326.db2.gz VWDNWLRLZBHYIZ-UHFFFAOYSA-N 2 2 291.355 -0.686 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CCc3n[nH]c(=O)cc3C2)CC1 ZINC000408340528 353898327 /nfs/dbraw/zinc/89/83/27/353898327.db2.gz VWDNWLRLZBHYIZ-UHFFFAOYSA-N 2 2 291.355 -0.686 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCC[C@@]2(C)CO)CC1 ZINC000408364395 353903446 /nfs/dbraw/zinc/90/34/46/353903446.db2.gz KRBQWGCATVRXND-OCCSQVGLSA-N 2 2 269.389 -0.099 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCC[C@]2(C)CO)CC1 ZINC000408364397 353903707 /nfs/dbraw/zinc/90/37/07/353903707.db2.gz KRBQWGCATVRXND-TZMCWYRMSA-N 2 2 269.389 -0.099 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@H](C)[NH+](CCO)C[C@H]2C)C1 ZINC000416306804 353967470 /nfs/dbraw/zinc/96/74/70/353967470.db2.gz KCWBLFCNDKQEMX-MJBXVCDLSA-N 2 2 299.415 -0.379 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)N2C[C@H](C)[NH+](CCO)C[C@H]2C)C1 ZINC000416306804 353967472 /nfs/dbraw/zinc/96/74/72/353967472.db2.gz KCWBLFCNDKQEMX-MJBXVCDLSA-N 2 2 299.415 -0.379 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)N2C[C@H](C)[N@H+](CCO)C[C@H]2C)C1 ZINC000416306804 353967473 /nfs/dbraw/zinc/96/74/73/353967473.db2.gz KCWBLFCNDKQEMX-MJBXVCDLSA-N 2 2 299.415 -0.379 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)C1 ZINC000416306804 353967475 /nfs/dbraw/zinc/96/74/75/353967475.db2.gz KCWBLFCNDKQEMX-MJBXVCDLSA-N 2 2 299.415 -0.379 20 0 CBADLP C[C@@H]1CN(C(=O)NCC[NH+]2CCOCC2)[C@@H](C)C[NH2+]1 ZINC000416432258 353968667 /nfs/dbraw/zinc/96/86/67/353968667.db2.gz DYSJMXHDOJXFMN-NEPJUHHUSA-N 2 2 270.377 -0.290 20 0 CBADLP CC(C)C[C@H](C[NH3+])NC(=O)NCC[NH+]1CCOCC1 ZINC000416434375 353968949 /nfs/dbraw/zinc/96/89/49/353968949.db2.gz UGAJKHQAEBKFCZ-GFCCVEGCSA-N 2 2 272.393 -0.009 20 0 CBADLP CC(C)[C@H](CNC(=O)N1CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000416938282 353973976 /nfs/dbraw/zinc/97/39/76/353973976.db2.gz KWZDIQUKOALCLR-ZDUSSCGKSA-N 2 2 284.404 -0.042 20 0 CBADLP C[C@@H](C[NH3+])CNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000416830697 353974003 /nfs/dbraw/zinc/97/40/03/353974003.db2.gz RSROMDCVEORGML-NSHDSACASA-N 2 2 272.393 -0.009 20 0 CBADLP C[NH2+]C[C@H](C)CNC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000417026433 353975796 /nfs/dbraw/zinc/97/57/96/353975796.db2.gz MHLRZKUUYYYHQN-NWDGAFQWSA-N 2 2 272.393 -0.138 20 0 CBADLP CC[C@@H]([NH3+])CNC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000417040777 353975978 /nfs/dbraw/zinc/97/59/78/353975978.db2.gz VVGIBIUFKLRCQA-WDEREUQCSA-N 2 2 258.366 -0.256 20 0 CBADLP CC1(C)C[N@H+](CCNC(=O)N2CC[NH2+]CC2)CCO1 ZINC000417411407 353976501 /nfs/dbraw/zinc/97/65/01/353976501.db2.gz CWAGTEOESBKAJT-UHFFFAOYSA-N 2 2 270.377 -0.288 20 0 CBADLP CC1(C)C[N@@H+](CCNC(=O)N2CC[NH2+]CC2)CCO1 ZINC000417411407 353976503 /nfs/dbraw/zinc/97/65/03/353976503.db2.gz CWAGTEOESBKAJT-UHFFFAOYSA-N 2 2 270.377 -0.288 20 0 CBADLP C[C@@H](C[NH3+])NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000417499230 353977707 /nfs/dbraw/zinc/97/77/07/353977707.db2.gz FNIXMCREQWLDLW-JTQLQIEISA-N 2 2 258.366 -0.256 20 0 CBADLP C[C@@H](C[NH3+])NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000417499230 353977710 /nfs/dbraw/zinc/97/77/10/353977710.db2.gz FNIXMCREQWLDLW-JTQLQIEISA-N 2 2 258.366 -0.256 20 0 CBADLP C[NH2+]C[C@H](C)CNC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000417503965 353978655 /nfs/dbraw/zinc/97/86/55/353978655.db2.gz DSVCAHFUZKWCKG-NWDGAFQWSA-N 2 2 272.393 -0.138 20 0 CBADLP C[NH2+]C[C@H](C)CNC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000417503965 353978658 /nfs/dbraw/zinc/97/86/58/353978658.db2.gz DSVCAHFUZKWCKG-NWDGAFQWSA-N 2 2 272.393 -0.138 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)NCC(F)(F)C[NH3+] ZINC000417521069 353978975 /nfs/dbraw/zinc/97/89/75/353978975.db2.gz YIWKCJPWNFLDLJ-VIFPVBQESA-N 2 2 280.319 -0.400 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)NCC(F)(F)C[NH3+] ZINC000417521069 353978977 /nfs/dbraw/zinc/97/89/77/353978977.db2.gz YIWKCJPWNFLDLJ-VIFPVBQESA-N 2 2 280.319 -0.400 20 0 CBADLP C[C@@H]1CN(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)CC[NH2+]1 ZINC000417514315 353979109 /nfs/dbraw/zinc/97/91/09/353979109.db2.gz JFJHADLULMRZGC-NEPJUHHUSA-N 2 2 270.377 -0.290 20 0 CBADLP C[C@@H]1CN(C(=O)NCC[N@H+]2CCOC[C@@H]2C)CC[NH2+]1 ZINC000417514315 353979110 /nfs/dbraw/zinc/97/91/10/353979110.db2.gz JFJHADLULMRZGC-NEPJUHHUSA-N 2 2 270.377 -0.290 20 0 CBADLP C[C@H](C[NH3+])CNC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000417518246 353979117 /nfs/dbraw/zinc/97/91/17/353979117.db2.gz KGZBPMNVZJSFOW-WOPDTQHZSA-N 2 2 272.393 -0.010 20 0 CBADLP [NH3+]C[C@H](NC(=O)CN1CC[NH2+]CC1=O)C1CCCC1 ZINC000417840216 353984972 /nfs/dbraw/zinc/98/49/72/353984972.db2.gz RVVPQDFVYCPBBG-NSHDSACASA-N 2 2 268.361 -0.948 20 0 CBADLP CC[C@H](C(=O)N1CC[N@H+](CCO)C[C@H]1C)[NH+](C)C ZINC000413865798 353959859 /nfs/dbraw/zinc/95/98/59/353959859.db2.gz SZDVWJKLMAJYBE-VXGBXAGGSA-N 2 2 257.378 -0.148 20 0 CBADLP CC[C@H](C(=O)N1CC[N@@H+](CCO)C[C@H]1C)[NH+](C)C ZINC000413865798 353959861 /nfs/dbraw/zinc/95/98/61/353959861.db2.gz SZDVWJKLMAJYBE-VXGBXAGGSA-N 2 2 257.378 -0.148 20 0 CBADLP CC(C)C[C@H]([NH3+])CN(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000414713664 353963352 /nfs/dbraw/zinc/96/33/52/353963352.db2.gz VDBGQEBGSRSDFY-UONOGXRCSA-N 2 2 273.421 -0.015 20 0 CBADLP CC(C)C[C@H]([NH3+])C[N@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000414713664 353963355 /nfs/dbraw/zinc/96/33/55/353963355.db2.gz VDBGQEBGSRSDFY-UONOGXRCSA-N 2 2 273.421 -0.015 20 0 CBADLP CC(C)C[C@H]([NH3+])C[N@@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000414713664 353963356 /nfs/dbraw/zinc/96/33/56/353963356.db2.gz VDBGQEBGSRSDFY-UONOGXRCSA-N 2 2 273.421 -0.015 20 0 CBADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCC(F)(F)C[NH3+])[C@H](C)C1 ZINC000418522245 354001218 /nfs/dbraw/zinc/00/12/18/354001218.db2.gz IPNIZQDZBHYOGP-NXEZZACHSA-N 2 2 294.346 -0.323 20 0 CBADLP C[C@@H](O)C[N@H+]1CCN(C(=O)NCC(F)(F)C[NH3+])[C@H](C)C1 ZINC000418522245 354001222 /nfs/dbraw/zinc/00/12/22/354001222.db2.gz IPNIZQDZBHYOGP-NXEZZACHSA-N 2 2 294.346 -0.323 20 0 CBADLP C[C@@H]1CN(C(=O)C(=O)NCCn2cc[nH+]c2)C[C@@H](C)[NH2+]1 ZINC000418894219 354014927 /nfs/dbraw/zinc/01/49/27/354014927.db2.gz YWZLILFZHYGEEM-GHMZBOCLSA-N 2 2 279.344 -0.792 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000419685069 354069252 /nfs/dbraw/zinc/06/92/52/354069252.db2.gz MPPZUTZBKRNPIP-UTUOFQBUSA-N 2 2 293.371 -0.403 20 0 CBADLP C[C@H]1CN(C(=O)C(=O)NCCCn2cc[nH+]c2)[C@@H](C)C[NH2+]1 ZINC000419727397 354072630 /nfs/dbraw/zinc/07/26/30/354072630.db2.gz WJPZSLIWVVRYNW-RYUDHWBXSA-N 2 2 293.371 -0.402 20 0 CBADLP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000419990651 354100209 /nfs/dbraw/zinc/10/02/09/354100209.db2.gz GITNRIHJRJPYAJ-GFCCVEGCSA-N 2 2 282.388 -0.608 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000420009623 354102193 /nfs/dbraw/zinc/10/21/93/354102193.db2.gz DCDBPKNDDSUYKK-CHWSQXEVSA-N 2 2 296.415 -0.216 20 0 CBADLP CCCCCNC(=O)C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000420276048 354120901 /nfs/dbraw/zinc/12/09/01/354120901.db2.gz QTSOLROYDVVBCG-UHFFFAOYSA-N 2 2 284.404 -0.344 20 0 CBADLP CCCCCNC(=O)C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000420276048 354120902 /nfs/dbraw/zinc/12/09/02/354120902.db2.gz QTSOLROYDVVBCG-UHFFFAOYSA-N 2 2 284.404 -0.344 20 0 CBADLP C[NH2+]C[C@H]1CCC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000420289675 354121685 /nfs/dbraw/zinc/12/16/85/354121685.db2.gz KSKTUAIRZDJYEJ-CYBMUJFWSA-N 3 2 268.405 -0.166 20 0 CBADLP C[NH2+]C[C@H]1CCC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000420289675 354121689 /nfs/dbraw/zinc/12/16/89/354121689.db2.gz KSKTUAIRZDJYEJ-CYBMUJFWSA-N 3 2 268.405 -0.166 20 0 CBADLP O=C(C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)N1CCCC1 ZINC000420312531 354123084 /nfs/dbraw/zinc/12/30/84/354123084.db2.gz SGMBEONSTRXLMS-ZDUSSCGKSA-N 2 2 294.399 -0.495 20 0 CBADLP O=C(C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)N1CCCC1 ZINC000420312531 354123085 /nfs/dbraw/zinc/12/30/85/354123085.db2.gz SGMBEONSTRXLMS-ZDUSSCGKSA-N 2 2 294.399 -0.495 20 0 CBADLP CNS(=O)(=O)CCC[N@@H+]1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000420328763 354124541 /nfs/dbraw/zinc/12/45/41/354124541.db2.gz FRCKSVIMNYOQDW-MNOVXSKESA-N 2 2 263.407 -0.015 20 0 CBADLP CNS(=O)(=O)CCC[N@H+]1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000420328763 354124544 /nfs/dbraw/zinc/12/45/44/354124544.db2.gz FRCKSVIMNYOQDW-MNOVXSKESA-N 2 2 263.407 -0.015 20 0 CBADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CCC(=O)N1CC[NH2+]CC1 ZINC000420366288 354125245 /nfs/dbraw/zinc/12/52/45/354125245.db2.gz LZZNXXVSDZIPSS-YRGRVCCFSA-N 3 2 268.405 -0.216 20 0 CBADLP Cc1cccc(OCCNC(=O)C[N@H+](C)C[C@H](O)C[NH3+])c1 ZINC000420357024 354125688 /nfs/dbraw/zinc/12/56/88/354125688.db2.gz ROQFXZNRMSYGBX-CYBMUJFWSA-N 2 2 295.383 -0.259 20 0 CBADLP Cc1cccc(OCCNC(=O)C[N@@H+](C)C[C@H](O)C[NH3+])c1 ZINC000420357024 354125689 /nfs/dbraw/zinc/12/56/89/354125689.db2.gz ROQFXZNRMSYGBX-CYBMUJFWSA-N 2 2 295.383 -0.259 20 0 CBADLP C[N@@H+](CC(=O)NCCOc1cccc(F)c1)C[C@H](O)C[NH3+] ZINC000420353446 354125742 /nfs/dbraw/zinc/12/57/42/354125742.db2.gz NIEZBALIILTSFR-GFCCVEGCSA-N 2 2 299.346 -0.428 20 0 CBADLP C[N@H+](CC(=O)NCCOc1cccc(F)c1)C[C@H](O)C[NH3+] ZINC000420353446 354125745 /nfs/dbraw/zinc/12/57/45/354125745.db2.gz NIEZBALIILTSFR-GFCCVEGCSA-N 2 2 299.346 -0.428 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000420367542 354126311 /nfs/dbraw/zinc/12/63/11/354126311.db2.gz SUDGYZHFOJMUBG-LLVKDONJSA-N 2 2 286.420 -0.066 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCCO[C@H](C[NH3+])C2)CC1 ZINC000420398095 354126586 /nfs/dbraw/zinc/12/65/86/354126586.db2.gz YKIRHEBQXMPCLJ-ZIAGYGMSSA-N 3 2 298.431 -0.411 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCCO[C@H](C[NH3+])C2)CC1 ZINC000420398095 354126591 /nfs/dbraw/zinc/12/65/91/354126591.db2.gz YKIRHEBQXMPCLJ-ZIAGYGMSSA-N 3 2 298.431 -0.411 20 0 CBADLP CNC(=O)NC(=O)C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420402918 354127511 /nfs/dbraw/zinc/12/75/11/354127511.db2.gz RALMLDNJFJNTSM-QWRGUYRKSA-N 2 2 268.361 -0.094 20 0 CBADLP CNC(=O)NC(=O)C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420402918 354127514 /nfs/dbraw/zinc/12/75/14/354127514.db2.gz RALMLDNJFJNTSM-QWRGUYRKSA-N 2 2 268.361 -0.094 20 0 CBADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000423352228 354171637 /nfs/dbraw/zinc/17/16/37/354171637.db2.gz AAFKDACDPFNTBV-STQMWFEESA-N 2 2 296.415 -0.395 20 0 CBADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000423352228 354171640 /nfs/dbraw/zinc/17/16/40/354171640.db2.gz AAFKDACDPFNTBV-STQMWFEESA-N 2 2 296.415 -0.395 20 0 CBADLP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N2CC[NH2+][C@H](C)C2)C[C@H]1C ZINC000423365423 354172238 /nfs/dbraw/zinc/17/22/38/354172238.db2.gz BFGZIYWVQLZRFH-JHJVBQTASA-N 2 2 296.415 -0.252 20 0 CBADLP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N2CC[NH2+][C@H](C)C2)C[C@H]1C ZINC000423365423 354172241 /nfs/dbraw/zinc/17/22/41/354172241.db2.gz BFGZIYWVQLZRFH-JHJVBQTASA-N 2 2 296.415 -0.252 20 0 CBADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[NH2+]CC2)C[C@H]1C ZINC000423383775 354173228 /nfs/dbraw/zinc/17/32/28/354173228.db2.gz KRYAGTDNIHWNQJ-NEPJUHHUSA-N 2 2 282.388 -0.641 20 0 CBADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CC[NH2+]CC2)C[C@H]1C ZINC000423383775 354173236 /nfs/dbraw/zinc/17/32/36/354173236.db2.gz KRYAGTDNIHWNQJ-NEPJUHHUSA-N 2 2 282.388 -0.641 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]([NH3+])C1CCC1 ZINC000423379782 354173514 /nfs/dbraw/zinc/17/35/14/354173514.db2.gz NFMPEENAERYBEB-ZYHUDNBSSA-N 2 2 255.362 -0.049 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]([NH3+])C1CCC1 ZINC000423379782 354173518 /nfs/dbraw/zinc/17/35/18/354173518.db2.gz NFMPEENAERYBEB-ZYHUDNBSSA-N 2 2 255.362 -0.049 20 0 CBADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000422708316 354151196 /nfs/dbraw/zinc/15/11/96/354151196.db2.gz BOAHPLPKBFIMMW-CHWSQXEVSA-N 3 2 268.405 -0.262 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC[NH2+]C[C@H]1C ZINC000422753993 354153896 /nfs/dbraw/zinc/15/38/96/354153896.db2.gz JEHHENNTIONQTG-LLVKDONJSA-N 2 2 270.377 -0.737 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CC[NH2+]C[C@H]1C ZINC000422753993 354153898 /nfs/dbraw/zinc/15/38/98/354153898.db2.gz JEHHENNTIONQTG-LLVKDONJSA-N 2 2 270.377 -0.737 20 0 CBADLP CC(C)NS(=O)(=O)CC[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000422941402 354157239 /nfs/dbraw/zinc/15/72/39/354157239.db2.gz HZTSINBQPHUCCZ-QWRGUYRKSA-N 2 2 263.407 -0.098 20 0 CBADLP CC(C)NS(=O)(=O)CC[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000422941403 354157734 /nfs/dbraw/zinc/15/77/34/354157734.db2.gz HZTSINBQPHUCCZ-WDEREUQCSA-N 2 2 263.407 -0.098 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2CCC([C@H](C)[NH3+])CC2)CC1 ZINC000422974370 354158364 /nfs/dbraw/zinc/15/83/64/354158364.db2.gz DRTBNPGDKBFSEU-LBPRGKRZSA-N 2 2 296.415 -0.264 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000422980369 354159613 /nfs/dbraw/zinc/15/96/13/354159613.db2.gz PCVXRONPDWUBBN-VXGBXAGGSA-N 2 2 282.388 -0.654 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)CC1 ZINC000422980876 354159780 /nfs/dbraw/zinc/15/97/80/354159780.db2.gz RKTSQHXFJOEULQ-QWHCGFSZSA-N 2 2 296.415 -0.406 20 0 CBADLP CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000423067464 354161429 /nfs/dbraw/zinc/16/14/29/354161429.db2.gz HDXBORHNQUZDNZ-UHFFFAOYSA-N 2 2 296.415 -0.264 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]2C[NH2+]C)CC1 ZINC000423591918 354183022 /nfs/dbraw/zinc/18/30/22/354183022.db2.gz CTAGBGGFSXNCSJ-LBPRGKRZSA-N 2 2 282.388 -0.639 20 0 CBADLP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2CC[NH2+][C@@H](C)C2)CC1 ZINC000423682750 354192325 /nfs/dbraw/zinc/19/23/25/354192325.db2.gz PCCBGCLFMWKZCS-STQMWFEESA-N 2 2 296.415 -0.251 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])CC1 ZINC000423747003 354195834 /nfs/dbraw/zinc/19/58/34/354195834.db2.gz YRQCOJYHFHYEBJ-OLZOCXBDSA-N 2 2 296.415 -0.264 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)C[NH2+]CC1CC1 ZINC000423738700 354196055 /nfs/dbraw/zinc/19/60/55/354196055.db2.gz GLDUDULKDRLQOC-UHFFFAOYSA-N 2 2 255.362 -0.223 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)[C@]1(C)CC[NH2+]C1 ZINC000423738291 354196155 /nfs/dbraw/zinc/19/61/55/354196155.db2.gz GGMIYHJSINBLAZ-CYBMUJFWSA-N 2 2 255.362 -0.223 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000423748507 354197526 /nfs/dbraw/zinc/19/75/26/354197526.db2.gz ZIQDEEFNIUNYGF-QWHCGFSZSA-N 2 2 296.415 -0.347 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000423748507 354197529 /nfs/dbraw/zinc/19/75/29/354197529.db2.gz ZIQDEEFNIUNYGF-QWHCGFSZSA-N 2 2 296.415 -0.347 20 0 CBADLP CO[C@@H](C[NH3+])C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000423763291 354198854 /nfs/dbraw/zinc/19/88/54/354198854.db2.gz PNPIMNNQHFBDDI-TUAOUCFPSA-N 2 2 273.377 -0.472 20 0 CBADLP CO[C@@H](C[NH3+])C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000423763291 354198857 /nfs/dbraw/zinc/19/88/57/354198857.db2.gz PNPIMNNQHFBDDI-TUAOUCFPSA-N 2 2 273.377 -0.472 20 0 CBADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)[C@@H]2COCC[NH2+]2)C[C@H](C)O1 ZINC000423767388 354199242 /nfs/dbraw/zinc/19/92/42/354199242.db2.gz WZFMZZOTOYEIPP-XQQFMLRXSA-N 2 2 285.388 -0.458 20 0 CBADLP C[C@@H]1C[N@H+](CCN(C)C(=O)[C@@H]2COCC[NH2+]2)C[C@H](C)O1 ZINC000423767388 354199244 /nfs/dbraw/zinc/19/92/44/354199244.db2.gz WZFMZZOTOYEIPP-XQQFMLRXSA-N 2 2 285.388 -0.458 20 0 CBADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424193614 354217646 /nfs/dbraw/zinc/21/76/46/354217646.db2.gz QYUILUZLHHOOCK-UTLUCORTSA-N 2 2 277.315 -0.276 20 0 CBADLP CC[C@H]([NH3+])C(=O)N1CC[N@H+](CCC(=O)OC)C[C@@H]1C ZINC000423863926 354201514 /nfs/dbraw/zinc/20/15/14/354201514.db2.gz XNFGLZMWOOELID-QWRGUYRKSA-N 2 2 271.361 -0.181 20 0 CBADLP CC[C@H]([NH3+])C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@@H]1C ZINC000423863926 354201515 /nfs/dbraw/zinc/20/15/15/354201515.db2.gz XNFGLZMWOOELID-QWRGUYRKSA-N 2 2 271.361 -0.181 20 0 CBADLP C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000423864046 354201641 /nfs/dbraw/zinc/20/16/41/354201641.db2.gz ISABRKLGZACNKH-KGLIPLIRSA-N 2 2 297.399 -0.456 20 0 CBADLP C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000423864046 354201643 /nfs/dbraw/zinc/20/16/43/354201643.db2.gz ISABRKLGZACNKH-KGLIPLIRSA-N 2 2 297.399 -0.456 20 0 CBADLP C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)CC[NH3+])C1 ZINC000423863414 354202258 /nfs/dbraw/zinc/20/22/58/354202258.db2.gz IAKXIVMQLAMYKQ-LBPRGKRZSA-N 2 2 255.362 -0.096 20 0 CBADLP C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)CC[NH3+])C1 ZINC000423863414 354202262 /nfs/dbraw/zinc/20/22/62/354202262.db2.gz IAKXIVMQLAMYKQ-LBPRGKRZSA-N 2 2 255.362 -0.096 20 0 CBADLP C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)[C@H]2CC[NH2+]2)C1 ZINC000423876427 354203007 /nfs/dbraw/zinc/20/30/07/354203007.db2.gz SHNCOTMWJGFYKF-QWHCGFSZSA-N 2 2 267.373 -0.083 20 0 CBADLP C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)[C@H]2CC[NH2+]2)C1 ZINC000423876427 354203013 /nfs/dbraw/zinc/20/30/13/354203013.db2.gz SHNCOTMWJGFYKF-QWHCGFSZSA-N 2 2 267.373 -0.083 20 0 CBADLP C[C@@H](C(=O)N(C)[C@H](C[NH3+])C1CC1)[NH+]1CCOCC1 ZINC000423965720 354206318 /nfs/dbraw/zinc/20/63/18/354206318.db2.gz YJKNTOFEFKWFMF-CMPLNLGQSA-N 2 2 255.362 -0.097 20 0 CBADLP CO[C@@H](C[NH3+])C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424197136 354218121 /nfs/dbraw/zinc/21/81/21/354218121.db2.gz WHADAUVOQSSFDB-YUMQZZPRSA-N 2 2 251.277 -0.679 20 0 CBADLP C[C@H]1CN(C(=O)[C@@H]2C[C@@H]2[NH3+])C[C@@H]1[NH+]1CCOCC1 ZINC000424140353 354211087 /nfs/dbraw/zinc/21/10/87/354211087.db2.gz FMFRSZJHXYPXQX-USZNOCQGSA-N 2 2 253.346 -0.487 20 0 CBADLP COC(=O)C[C@H]([NH3+])C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424192952 354218189 /nfs/dbraw/zinc/21/81/89/354218189.db2.gz QESMZDNKCARLGP-YUMQZZPRSA-N 2 2 279.287 -0.762 20 0 CBADLP [NH3+][C@@H]1C[C@@H]1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000424159663 354212542 /nfs/dbraw/zinc/21/25/42/354212542.db2.gz VYWOBNFZFSGZGB-NWDGAFQWSA-N 2 2 290.371 -0.938 20 0 CBADLP CC[C@@H]1CN(C(=O)[C@H]2C[NH2+]CCO2)C[C@H]1[NH+]1CCOCC1 ZINC000424164447 354213065 /nfs/dbraw/zinc/21/30/65/354213065.db2.gz CICRAIAEAWRNMY-MGPQQGTHSA-N 2 2 297.399 -0.456 20 0 CBADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)[C@H]1C[NH2+]CCO1 ZINC000424178318 354215184 /nfs/dbraw/zinc/21/51/84/354215184.db2.gz WMUPPNXSXGZMLC-NWDGAFQWSA-N 2 2 276.340 -0.235 20 0 CBADLP O=C(C[C@H]1C[NH2+]CCO1)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424181519 354215776 /nfs/dbraw/zinc/21/57/76/354215776.db2.gz XWSVKTVEJWJQRX-UWVGGRQHSA-N 2 2 277.315 -0.274 20 0 CBADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000428990092 354247009 /nfs/dbraw/zinc/24/70/09/354247009.db2.gz HCUMWKFQHOTGKX-JOYOIKCWSA-N 2 2 254.334 -0.403 20 0 CBADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000428990092 354247012 /nfs/dbraw/zinc/24/70/12/354247012.db2.gz HCUMWKFQHOTGKX-JOYOIKCWSA-N 2 2 254.334 -0.403 20 0 CBADLP C[C@@H](C(=O)NC(N)=O)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000428990092 354247015 /nfs/dbraw/zinc/24/70/15/354247015.db2.gz HCUMWKFQHOTGKX-JOYOIKCWSA-N 2 2 254.334 -0.403 20 0 CBADLP C[C@@H](C(=O)NC(N)=O)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000428990092 354247020 /nfs/dbraw/zinc/24/70/20/354247020.db2.gz HCUMWKFQHOTGKX-JOYOIKCWSA-N 2 2 254.334 -0.403 20 0 CBADLP COC(=O)CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424290555 354222199 /nfs/dbraw/zinc/22/21/99/354222199.db2.gz MUXHJRVFFDPLAE-NXEZZACHSA-N 2 2 257.334 -0.475 20 0 CBADLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])C(=O)N(C)CC(=O)NC1CC1 ZINC000424332065 354222968 /nfs/dbraw/zinc/22/29/68/354222968.db2.gz KPRNSPISMZYHQV-CYZMBNFOSA-N 2 2 296.415 -0.029 20 0 CBADLP COCC(C)(C)[NH+]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000424995917 354232628 /nfs/dbraw/zinc/23/26/28/354232628.db2.gz CISABBUMXAFPJB-CYBMUJFWSA-N 2 2 299.415 -0.114 20 0 CBADLP COCC(C)(C)[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000424995917 354232630 /nfs/dbraw/zinc/23/26/30/354232630.db2.gz CISABBUMXAFPJB-CYBMUJFWSA-N 2 2 299.415 -0.114 20 0 CBADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CC[NH+](CCO)CC1 ZINC000445735442 354282742 /nfs/dbraw/zinc/28/27/42/354282742.db2.gz TVXJOAAIHFOGEK-CHWSQXEVSA-N 2 2 269.389 -0.004 20 0 CBADLP C[C@@H](O)C[NH+]1CCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC000444382940 354271875 /nfs/dbraw/zinc/27/18/75/354271875.db2.gz HRNBXJAZYYHCRA-LLVKDONJSA-N 2 2 296.371 -0.125 20 0 CBADLP C[C@@H](CNC(=O)[C@H](C)[NH2+]C1CC1)[NH+]1CCOCC1 ZINC000449093370 354317482 /nfs/dbraw/zinc/31/74/82/354317482.db2.gz VZVYUTCKOGWRPV-QWRGUYRKSA-N 2 2 255.362 -0.036 20 0 CBADLP O=C(C[NH+]1CCCC1)N1CC[NH+](C[C@H]2COCCO2)CC1 ZINC000450349179 354324815 /nfs/dbraw/zinc/32/48/15/354324815.db2.gz NMIIVBSHCBBBSD-AWEZNQCLSA-N 2 2 297.399 -0.358 20 0 CBADLP Cc1nc(N2CC[N@@H+](CCO)C[C@H]2C)nc(N(C)C)[nH+]1 ZINC000450957673 354332310 /nfs/dbraw/zinc/33/23/10/354332310.db2.gz UXWSGURDNBNHED-SNVBAGLBSA-N 2 2 280.376 -0.251 20 0 CBADLP Cc1nc(N2CC[N@H+](CCO)C[C@H]2C)nc(N(C)C)[nH+]1 ZINC000450957673 354332315 /nfs/dbraw/zinc/33/23/15/354332315.db2.gz UXWSGURDNBNHED-SNVBAGLBSA-N 2 2 280.376 -0.251 20 0 CBADLP C[C@@H]1C[NH+](CCCCC[N@@H+]2CC(=O)N[C@H](C)C2)CC(=O)N1 ZINC000451637901 354339342 /nfs/dbraw/zinc/33/93/42/354339342.db2.gz CLCXEANYSOQAPA-CHWSQXEVSA-N 2 2 296.415 -0.203 20 0 CBADLP C[C@@H]1C[NH+](CCCCC[N@H+]2CC(=O)N[C@H](C)C2)CC(=O)N1 ZINC000451637901 354339344 /nfs/dbraw/zinc/33/93/44/354339344.db2.gz CLCXEANYSOQAPA-CHWSQXEVSA-N 2 2 296.415 -0.203 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2C[C@@H](O)[C@H](OC)C2)CC1 ZINC000451750503 354341650 /nfs/dbraw/zinc/34/16/50/354341650.db2.gz RFQHAKJYBUDSQU-JHJVBQTASA-N 2 2 285.388 -0.770 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2C[C@@H](O)[C@H](OC)C2)CC1 ZINC000451750503 354341652 /nfs/dbraw/zinc/34/16/52/354341652.db2.gz RFQHAKJYBUDSQU-JHJVBQTASA-N 2 2 285.388 -0.770 20 0 CBADLP CNS(=O)(=O)CCC[NH2+]C(C)(C)C[NH+](C)C ZINC000459552673 354385076 /nfs/dbraw/zinc/38/50/76/354385076.db2.gz WUUWJMFCBUTSBN-UHFFFAOYSA-N 2 2 251.396 -0.145 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000459806905 354388410 /nfs/dbraw/zinc/38/84/10/354388410.db2.gz GKISGWOSDAANEJ-ZDUSSCGKSA-N 2 2 296.415 -0.297 20 0 CBADLP C[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CC[N@@H+]1CCO ZINC000492891380 354484421 /nfs/dbraw/zinc/48/44/21/354484421.db2.gz CUUQAFRXXYENJE-KXMPLOMGSA-N 2 2 264.329 -0.052 20 0 CBADLP C[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CC[N@H+]1CCO ZINC000492891380 354484422 /nfs/dbraw/zinc/48/44/22/354484422.db2.gz CUUQAFRXXYENJE-KXMPLOMGSA-N 2 2 264.329 -0.052 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)/C=C\C[NH+](C)C ZINC000491869303 354461346 /nfs/dbraw/zinc/46/13/46/354461346.db2.gz NABRCUAAXLRPJD-RXNFCKPNSA-N 2 2 255.362 -0.059 20 0 CBADLP C[NH+]1CCC(O)(CNC(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000492807788 354481848 /nfs/dbraw/zinc/48/18/48/354481848.db2.gz BSYZSRMXUQJQFH-NSCUHMNNSA-N 2 2 264.329 -0.004 20 0 CBADLP COC(=O)N1CC([NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)C1 ZINC000496315284 354541239 /nfs/dbraw/zinc/54/12/39/354541239.db2.gz WBJHUNAFRGXVMO-VHSXEESVSA-N 2 2 257.334 -0.206 20 0 CBADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000515306188 354555869 /nfs/dbraw/zinc/55/58/69/354555869.db2.gz YILSCWSTXIKTJD-RKDXNWHRSA-N 2 2 256.268 -0.044 20 0 CBADLP C[NH2+]C[C@@](C)(O)C[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000515306188 354555871 /nfs/dbraw/zinc/55/58/71/354555871.db2.gz YILSCWSTXIKTJD-RKDXNWHRSA-N 2 2 256.268 -0.044 20 0 CBADLP C[N@@H+]1CCO[C@H](CNC(=O)NCC[C@H]2CCC[NH2+]2)C1 ZINC000519590097 354563618 /nfs/dbraw/zinc/56/36/18/354563618.db2.gz SHHJCBHFTLLYFM-VXGBXAGGSA-N 2 2 270.377 -0.242 20 0 CBADLP C[N@H+]1CCO[C@H](CNC(=O)NCC[C@H]2CCC[NH2+]2)C1 ZINC000519590097 354563622 /nfs/dbraw/zinc/56/36/22/354563622.db2.gz SHHJCBHFTLLYFM-VXGBXAGGSA-N 2 2 270.377 -0.242 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)C[NH2+]C2CC2)CC1 ZINC000520404175 354566847 /nfs/dbraw/zinc/56/68/47/354566847.db2.gz TYUVNVVMUOVGHB-UHFFFAOYSA-N 2 2 268.361 -0.981 20 0 CBADLP Cc1cc(NC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc[nH+]1 ZINC000520430721 354567716 /nfs/dbraw/zinc/56/77/16/354567716.db2.gz JEQNXPFCYXGARF-NWDGAFQWSA-N 2 2 289.339 -0.412 20 0 CBADLP Cc1cc(NC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc[nH+]1 ZINC000520430720 354567805 /nfs/dbraw/zinc/56/78/05/354567805.db2.gz JEQNXPFCYXGARF-NEPJUHHUSA-N 2 2 289.339 -0.412 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[NH+](C)C[C@@H]2C)O1 ZINC000527544495 354577902 /nfs/dbraw/zinc/57/79/02/354577902.db2.gz HWEAZZQGWYGFLH-QJPTWQEYSA-N 2 2 255.362 -0.132 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[NH+](C)C[C@@H]2C)O1 ZINC000527544495 354577906 /nfs/dbraw/zinc/57/79/06/354577906.db2.gz HWEAZZQGWYGFLH-QJPTWQEYSA-N 2 2 255.362 -0.132 20 0 CBADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[N@H+](C)C[C@@H]2C)O1 ZINC000527544495 354577908 /nfs/dbraw/zinc/57/79/08/354577908.db2.gz HWEAZZQGWYGFLH-QJPTWQEYSA-N 2 2 255.362 -0.132 20 0 CBADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[N@@H+](C)C[C@@H]2C)O1 ZINC000527544495 354577911 /nfs/dbraw/zinc/57/79/11/354577911.db2.gz HWEAZZQGWYGFLH-QJPTWQEYSA-N 2 2 255.362 -0.132 20 0 CBADLP COC(=O)CNC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000533429665 354592690 /nfs/dbraw/zinc/59/26/90/354592690.db2.gz DZEOLMLKGWTWBY-NWDGAFQWSA-N 2 2 285.388 -0.062 20 0 CBADLP COC(=O)CNC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000533429665 354592692 /nfs/dbraw/zinc/59/26/92/354592692.db2.gz DZEOLMLKGWTWBY-NWDGAFQWSA-N 2 2 285.388 -0.062 20 0 CBADLP COC(=O)CNC(=O)[C@H](C)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000533429665 354592694 /nfs/dbraw/zinc/59/26/94/354592694.db2.gz DZEOLMLKGWTWBY-NWDGAFQWSA-N 2 2 285.388 -0.062 20 0 CBADLP COC(=O)CNC(=O)[C@H](C)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000533429665 354592696 /nfs/dbraw/zinc/59/26/96/354592696.db2.gz DZEOLMLKGWTWBY-NWDGAFQWSA-N 2 2 285.388 -0.062 20 0 CBADLP COC(=O)CNC(=O)CC[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000535822966 354604408 /nfs/dbraw/zinc/60/44/08/354604408.db2.gz PYGHHCZWILFMSN-LLVKDONJSA-N 2 2 294.355 -0.111 20 0 CBADLP COC(=O)CNC(=O)CC[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000535822966 354604411 /nfs/dbraw/zinc/60/44/11/354604411.db2.gz PYGHHCZWILFMSN-LLVKDONJSA-N 2 2 294.355 -0.111 20 0 CBADLP O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CC(n2cc[nH+]c2)C1 ZINC000536535425 354606711 /nfs/dbraw/zinc/60/67/11/354606711.db2.gz IPOWOMRSTPFPJG-CYBMUJFWSA-N 2 2 275.356 -0.344 20 0 CBADLP O=C([C@H]1C[N@H+]2CCN1CCC2)N1CC(n2cc[nH+]c2)C1 ZINC000536535425 354606714 /nfs/dbraw/zinc/60/67/14/354606714.db2.gz IPOWOMRSTPFPJG-CYBMUJFWSA-N 2 2 275.356 -0.344 20 0 CBADLP CNS(=O)(=O)[C@@H]1CC[N@H+](CCn2cc[nH+]c2C)C1 ZINC000536561734 354607341 /nfs/dbraw/zinc/60/73/41/354607341.db2.gz KIZMNGHCWULBBH-LLVKDONJSA-N 2 2 272.374 -0.185 20 0 CBADLP CNS(=O)(=O)[C@@H]1CC[N@@H+](CCn2cc[nH+]c2C)C1 ZINC000536561734 354607345 /nfs/dbraw/zinc/60/73/45/354607345.db2.gz KIZMNGHCWULBBH-LLVKDONJSA-N 2 2 272.374 -0.185 20 0 CBADLP CN1C[C@H]([NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)CC1=O ZINC000562960053 354689861 /nfs/dbraw/zinc/68/98/61/354689861.db2.gz JVCFWZOQKWHCKW-WZRBSPASSA-N 2 2 253.346 -0.426 20 0 CBADLP CC(C)NS(=O)(=O)CC[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000562988437 354690615 /nfs/dbraw/zinc/69/06/15/354690615.db2.gz ZRFQIPGOJLTNTJ-GFCCVEGCSA-N 2 2 293.433 -0.641 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)c1cn(CCC[NH3+])nn1 ZINC000563074915 354694625 /nfs/dbraw/zinc/69/46/25/354694625.db2.gz UANJBDFXRHJBHR-LLVKDONJSA-N 2 2 296.375 -0.923 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)c1cn(CCC[NH3+])nn1 ZINC000563074915 354694629 /nfs/dbraw/zinc/69/46/29/354694629.db2.gz UANJBDFXRHJBHR-LLVKDONJSA-N 2 2 296.375 -0.923 20 0 CBADLP COC(=O)CCNC(=O)C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000563150459 354699540 /nfs/dbraw/zinc/69/95/40/354699540.db2.gz UEMKZZXUBVTIEN-GFCCVEGCSA-N 2 2 257.334 -0.664 20 0 CBADLP COC(=O)CCNC(=O)C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000563150459 354699546 /nfs/dbraw/zinc/69/95/46/354699546.db2.gz UEMKZZXUBVTIEN-GFCCVEGCSA-N 2 2 257.334 -0.664 20 0 CBADLP C[NH+]1CCN(C(=O)CC[NH2+][C@@](C)(C[NH3+])C2CC2)CC1 ZINC000563154376 354699948 /nfs/dbraw/zinc/69/99/48/354699948.db2.gz NGQYDFAZXYZMMI-AWEZNQCLSA-N 3 2 268.405 -0.133 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC[N@@H+]1CCO ZINC000563204830 354702916 /nfs/dbraw/zinc/70/29/16/354702916.db2.gz WQKCFNXTTKULFF-CHWSQXEVSA-N 2 2 292.383 -0.030 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC[N@H+]1CCO ZINC000563204830 354702918 /nfs/dbraw/zinc/70/29/18/354702918.db2.gz WQKCFNXTTKULFF-CHWSQXEVSA-N 2 2 292.383 -0.030 20 0 CBADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)C[C@@H](O)C[NH3+])CC1 ZINC000563216325 354703830 /nfs/dbraw/zinc/70/38/30/354703830.db2.gz XRQFYAOWKCVMMX-ZDUSSCGKSA-N 3 2 286.420 -0.773 20 0 CBADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)C[C@@H](O)C[NH3+])CC1 ZINC000563216325 354703832 /nfs/dbraw/zinc/70/38/32/354703832.db2.gz XRQFYAOWKCVMMX-ZDUSSCGKSA-N 3 2 286.420 -0.773 20 0 CBADLP Cc1c(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cnn1C ZINC000563430404 354704638 /nfs/dbraw/zinc/70/46/38/354704638.db2.gz AZSDLXBHOHLDID-NEPJUHHUSA-N 2 2 263.345 -0.528 20 0 CBADLP Cc1c(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cnn1C ZINC000563430404 354704639 /nfs/dbraw/zinc/70/46/39/354704639.db2.gz AZSDLXBHOHLDID-NEPJUHHUSA-N 2 2 263.345 -0.528 20 0 CBADLP COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@@]2(C)CC[NH2+]C2)C1 ZINC000564081967 354709513 /nfs/dbraw/zinc/70/95/13/354709513.db2.gz OVBOWUNHALVWOU-DOMZBBRYSA-N 2 2 297.399 -0.013 20 0 CBADLP COC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@@]2(C)CC[NH2+]C2)C1 ZINC000564081967 354709516 /nfs/dbraw/zinc/70/95/16/354709516.db2.gz OVBOWUNHALVWOU-DOMZBBRYSA-N 2 2 297.399 -0.013 20 0 CBADLP COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@]2(C)CC[NH2+]C2)C1 ZINC000564081968 354709767 /nfs/dbraw/zinc/70/97/67/354709767.db2.gz OVBOWUNHALVWOU-IUODEOHRSA-N 2 2 297.399 -0.013 20 0 CBADLP COC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@]2(C)CC[NH2+]C2)C1 ZINC000564081968 354709772 /nfs/dbraw/zinc/70/97/72/354709772.db2.gz OVBOWUNHALVWOU-IUODEOHRSA-N 2 2 297.399 -0.013 20 0 CBADLP Cc1c[nH+]ccc1NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000564231171 354711613 /nfs/dbraw/zinc/71/16/13/354711613.db2.gz WTFOMPWBNOTXFC-GHMZBOCLSA-N 2 2 289.339 -0.412 20 0 CBADLP CC[C@@H]1CN(C(=O)[C@@H](C[NH3+])OC)C[C@H]1[NH+]1CCOCC1 ZINC000564564174 354712998 /nfs/dbraw/zinc/71/29/98/354712998.db2.gz MWPGDPHIFADGHC-JHJVBQTASA-N 2 2 285.388 -0.471 20 0 CBADLP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000564922425 354720219 /nfs/dbraw/zinc/72/02/19/354720219.db2.gz HGSKGNPLGUNMQC-SRVKXCTJSA-N 2 2 255.362 -0.179 20 0 CBADLP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000564922425 354720223 /nfs/dbraw/zinc/72/02/23/354720223.db2.gz HGSKGNPLGUNMQC-SRVKXCTJSA-N 2 2 255.362 -0.179 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)CC1(C[NH3+])CC1 ZINC000564911228 354720381 /nfs/dbraw/zinc/72/03/81/354720381.db2.gz VENGAHOHINEUHL-NSHDSACASA-N 2 2 255.362 -0.048 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000564986656 354723669 /nfs/dbraw/zinc/72/36/69/354723669.db2.gz BTSOWMQTJRNGAE-KBPBESRZSA-N 3 2 280.416 -0.308 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000564986656 354723672 /nfs/dbraw/zinc/72/36/72/354723672.db2.gz BTSOWMQTJRNGAE-KBPBESRZSA-N 3 2 280.416 -0.308 20 0 CBADLP CC[C@@H](CO)[NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000564979455 354723994 /nfs/dbraw/zinc/72/39/94/354723994.db2.gz SQDHOTWAENHOBD-CYDGBPFRSA-N 2 2 260.378 -0.183 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC[C@@H]([NH3+])C[C@H]1C ZINC000565155093 354728961 /nfs/dbraw/zinc/72/89/61/354728961.db2.gz CWDUCZPYDKAGQJ-VXGBXAGGSA-N 2 2 284.404 -0.219 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CC[C@@H]([NH3+])C[C@H]1C ZINC000565155093 354728963 /nfs/dbraw/zinc/72/89/63/354728963.db2.gz CWDUCZPYDKAGQJ-VXGBXAGGSA-N 2 2 284.404 -0.219 20 0 CBADLP C[NH+]1CCN(C(=O)CCNC(=O)CC(F)(F)C[NH3+])CC1 ZINC000565151335 354729230 /nfs/dbraw/zinc/72/92/30/354729230.db2.gz LIJUGYCQHRCJPP-UHFFFAOYSA-N 2 2 292.330 -0.749 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCCC[C@]1(C)C(N)=O ZINC000565158205 354730395 /nfs/dbraw/zinc/73/03/95/354730395.db2.gz RFZRBUUTQCHLEJ-TZMCWYRMSA-N 2 2 287.404 -0.345 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC[C@]1(C)C(N)=O ZINC000565158205 354730396 /nfs/dbraw/zinc/73/03/96/354730396.db2.gz RFZRBUUTQCHLEJ-TZMCWYRMSA-N 2 2 287.404 -0.345 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCCC[C@]1(C)C(N)=O ZINC000565158205 354730398 /nfs/dbraw/zinc/73/03/98/354730398.db2.gz RFZRBUUTQCHLEJ-TZMCWYRMSA-N 2 2 287.404 -0.345 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCCC[C@]1(C)C(N)=O ZINC000565158205 354730399 /nfs/dbraw/zinc/73/03/99/354730399.db2.gz RFZRBUUTQCHLEJ-TZMCWYRMSA-N 2 2 287.404 -0.345 20 0 CBADLP C[N@H+]1CCN(C(=O)[C@@H]2CC(=O)N(C3CC3)C2)[C@H](C[NH3+])C1 ZINC000565948719 354748582 /nfs/dbraw/zinc/74/85/82/354748582.db2.gz HHVUAAZQAATVMB-ZYHUDNBSSA-N 2 2 280.372 -0.901 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](CN2CCOCC2)C1 ZINC000565930932 354748789 /nfs/dbraw/zinc/74/87/89/354748789.db2.gz ZXGXOLUJJDKILU-LSDHHAIUSA-N 2 2 285.432 -0.047 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](CN2CCOCC2)C1 ZINC000565930932 354748792 /nfs/dbraw/zinc/74/87/92/354748792.db2.gz ZXGXOLUJJDKILU-LSDHHAIUSA-N 2 2 285.432 -0.047 20 0 CBADLP NC(=O)[C@H](c1ccccc1)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000565904816 354748822 /nfs/dbraw/zinc/74/88/22/354748822.db2.gz SPYZEZORNZGVOR-AVGNSLFASA-N 2 2 288.351 -0.543 20 0 CBADLP NC(=O)[C@H](c1ccccc1)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000565904816 354748823 /nfs/dbraw/zinc/74/88/23/354748823.db2.gz SPYZEZORNZGVOR-AVGNSLFASA-N 2 2 288.351 -0.543 20 0 CBADLP C[N@@H+]1CCN(C(=O)CNC(=O)CC2CCCC2)[C@@H](C[NH3+])C1 ZINC000566200712 354756540 /nfs/dbraw/zinc/75/65/40/354756540.db2.gz XVUSLZFNUSHPSO-ZDUSSCGKSA-N 2 2 296.415 -0.216 20 0 CBADLP C[N@H+]1CCN(C(=O)CNC(=O)CC2CCCC2)[C@@H](C[NH3+])C1 ZINC000566200712 354756546 /nfs/dbraw/zinc/75/65/46/354756546.db2.gz XVUSLZFNUSHPSO-ZDUSSCGKSA-N 2 2 296.415 -0.216 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000566199778 354756987 /nfs/dbraw/zinc/75/69/87/354756987.db2.gz SFUABMDFKHWTPT-LLVKDONJSA-N 2 2 270.377 -0.737 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000566199778 354756988 /nfs/dbraw/zinc/75/69/88/354756988.db2.gz SFUABMDFKHWTPT-LLVKDONJSA-N 2 2 270.377 -0.737 20 0 CBADLP C[C@@H](C(=O)N1CC[NH2+]C[C@H]1C)[NH+]1CCN(C)CC1 ZINC000566248683 354759784 /nfs/dbraw/zinc/75/97/84/354759784.db2.gz HZGFAZHSHXRGFS-NEPJUHHUSA-N 2 2 254.378 -0.557 20 0 CBADLP CCC(=O)N[C@@H]1CCC[N@H+](C[C@](C)(O)C[NH2+]C)C1 ZINC000566351328 354764274 /nfs/dbraw/zinc/76/42/74/354764274.db2.gz FXXMPRHUMLBDRD-DGCLKSJQSA-N 2 2 257.378 -0.053 20 0 CBADLP CCC(=O)N[C@@H]1CCC[N@@H+](C[C@](C)(O)C[NH2+]C)C1 ZINC000566351328 354764275 /nfs/dbraw/zinc/76/42/75/354764275.db2.gz FXXMPRHUMLBDRD-DGCLKSJQSA-N 2 2 257.378 -0.053 20 0 CBADLP COCC(COC)[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000567104097 354780757 /nfs/dbraw/zinc/78/07/57/354780757.db2.gz FXUCNSHSEWIXRX-SCRDCRAPSA-N 2 2 290.404 -0.293 20 0 CBADLP COCC(COC)[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000567104097 354780758 /nfs/dbraw/zinc/78/07/58/354780758.db2.gz FXUCNSHSEWIXRX-SCRDCRAPSA-N 2 2 290.404 -0.293 20 0 CBADLP CC[C@@H](C)[N@H+](C)CCNC[C@H](O)CN1CC[NH+](C)CC1 ZINC000567262420 354783898 /nfs/dbraw/zinc/78/38/98/354783898.db2.gz OAOXPKWFCHJEGB-CABCVRRESA-N 2 2 286.464 -0.085 20 0 CBADLP CC[C@@H](C)[N@@H+](C)CCNC[C@H](O)CN1CC[NH+](C)CC1 ZINC000567262420 354783905 /nfs/dbraw/zinc/78/39/05/354783905.db2.gz OAOXPKWFCHJEGB-CABCVRRESA-N 2 2 286.464 -0.085 20 0 CBADLP COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000565362100 354736799 /nfs/dbraw/zinc/73/67/99/354736799.db2.gz SWYZZNGCWZLRPC-OLZOCXBDSA-N 2 2 297.399 -0.013 20 0 CBADLP COC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000565362100 354736801 /nfs/dbraw/zinc/73/68/01/354736801.db2.gz SWYZZNGCWZLRPC-OLZOCXBDSA-N 2 2 297.399 -0.013 20 0 CBADLP CC(C)[NH2+]CCCNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000565471035 354738842 /nfs/dbraw/zinc/73/88/42/354738842.db2.gz JBKUQURKGFSBLH-LBPRGKRZSA-N 3 2 271.409 -0.341 20 0 CBADLP CC(C)[NH2+]CCCNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000565471035 354738845 /nfs/dbraw/zinc/73/88/45/354738845.db2.gz JBKUQURKGFSBLH-LBPRGKRZSA-N 3 2 271.409 -0.341 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)CCO1 ZINC000565481769 354739445 /nfs/dbraw/zinc/73/94/45/354739445.db2.gz BZLSPTMVWYOCMD-MBNYWOFBSA-N 2 2 267.373 -0.177 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)CCO1 ZINC000565481769 354739449 /nfs/dbraw/zinc/73/94/49/354739449.db2.gz BZLSPTMVWYOCMD-MBNYWOFBSA-N 2 2 267.373 -0.177 20 0 CBADLP C[C@@H]1C[C@@H](NC[C@H](O)C[NH+]2CCOCC2)C[N@@H+]1C1CC1 ZINC000565534637 354739711 /nfs/dbraw/zinc/73/97/11/354739711.db2.gz BVHVAAQQWNSNCY-NFAWXSAZSA-N 2 2 283.416 -0.106 20 0 CBADLP C[C@@H]1C[C@@H](NC[C@H](O)C[NH+]2CCOCC2)C[N@H+]1C1CC1 ZINC000565534637 354739714 /nfs/dbraw/zinc/73/97/14/354739714.db2.gz BVHVAAQQWNSNCY-NFAWXSAZSA-N 2 2 283.416 -0.106 20 0 CBADLP C[C@@H]1C[C@H](NC[C@@H](O)C[NH+]2CCOCC2)C[N@@H+]1C1CC1 ZINC000565534646 354740602 /nfs/dbraw/zinc/74/06/02/354740602.db2.gz BVHVAAQQWNSNCY-VNHYZAJKSA-N 2 2 283.416 -0.106 20 0 CBADLP C[C@@H]1C[C@H](NC[C@@H](O)C[NH+]2CCOCC2)C[N@H+]1C1CC1 ZINC000565534646 354740603 /nfs/dbraw/zinc/74/06/03/354740603.db2.gz BVHVAAQQWNSNCY-VNHYZAJKSA-N 2 2 283.416 -0.106 20 0 CBADLP C[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](CCO)[C@@H](C)C2)C1 ZINC000565606521 354742065 /nfs/dbraw/zinc/74/20/65/354742065.db2.gz BROSEVKAHUGVSK-OLZOCXBDSA-N 2 2 269.389 -0.147 20 0 CBADLP C[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](CCO)[C@@H](C)C2)C1 ZINC000565606521 354742066 /nfs/dbraw/zinc/74/20/66/354742066.db2.gz BROSEVKAHUGVSK-OLZOCXBDSA-N 2 2 269.389 -0.147 20 0 CBADLP C[C@@H]1CC[NH+](CC(=O)N2CC[N@H+](CCO)[C@@H](C)C2)C1 ZINC000565606521 354742068 /nfs/dbraw/zinc/74/20/68/354742068.db2.gz BROSEVKAHUGVSK-OLZOCXBDSA-N 2 2 269.389 -0.147 20 0 CBADLP C[C@@H]1CC[NH+](CC(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)C1 ZINC000565606521 354742069 /nfs/dbraw/zinc/74/20/69/354742069.db2.gz BROSEVKAHUGVSK-OLZOCXBDSA-N 2 2 269.389 -0.147 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H](CO)[C@H](O)C2)CC1 ZINC000565619529 354742127 /nfs/dbraw/zinc/74/21/27/354742127.db2.gz HQOQIAXOUAQROA-MELADBBJSA-N 2 2 299.415 -0.786 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H](CO)[C@H](O)C2)CC1 ZINC000565619529 354742129 /nfs/dbraw/zinc/74/21/29/354742129.db2.gz HQOQIAXOUAQROA-MELADBBJSA-N 2 2 299.415 -0.786 20 0 CBADLP C[C@H]1CC[N@H+](CC(=O)N2CC[NH+](CCO)[C@@H](C)C2)C1 ZINC000565606524 354742411 /nfs/dbraw/zinc/74/24/11/354742411.db2.gz BROSEVKAHUGVSK-STQMWFEESA-N 2 2 269.389 -0.147 20 0 CBADLP C[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](CCO)[C@@H](C)C2)C1 ZINC000565606524 354742414 /nfs/dbraw/zinc/74/24/14/354742414.db2.gz BROSEVKAHUGVSK-STQMWFEESA-N 2 2 269.389 -0.147 20 0 CBADLP C[C@H]1CC[NH+](CC(=O)N2CC[N@H+](CCO)[C@@H](C)C2)C1 ZINC000565606524 354742417 /nfs/dbraw/zinc/74/24/17/354742417.db2.gz BROSEVKAHUGVSK-STQMWFEESA-N 2 2 269.389 -0.147 20 0 CBADLP C[C@H]1CC[NH+](CC(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)C1 ZINC000565606524 354742419 /nfs/dbraw/zinc/74/24/19/354742419.db2.gz BROSEVKAHUGVSK-STQMWFEESA-N 2 2 269.389 -0.147 20 0 CBADLP O=C(NC[C@H]1C[NH+]2CCN1CC2)[C@H]1CCc2c[nH+]cn2C1 ZINC000565661685 354743842 /nfs/dbraw/zinc/74/38/42/354743842.db2.gz SZVKSQJZYXCAHS-JSGCOSHPSA-N 2 2 289.383 -0.439 20 0 CBADLP C[N@@H+]1CCN(C(=O)NCc2ccc(C[NH3+])cc2)[C@H](C[NH3+])C1 ZINC000567819850 354799004 /nfs/dbraw/zinc/79/90/04/354799004.db2.gz ALLJGSINVJMABF-CQSZACIVSA-N 3 2 291.399 -0.070 20 0 CBADLP C[N@H+]1CCN(C(=O)NCc2ccc(C[NH3+])cc2)[C@H](C[NH3+])C1 ZINC000567819850 354799005 /nfs/dbraw/zinc/79/90/05/354799005.db2.gz ALLJGSINVJMABF-CQSZACIVSA-N 3 2 291.399 -0.070 20 0 CBADLP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCCn1cc[nH+]c1 ZINC000567880892 354802568 /nfs/dbraw/zinc/80/25/68/354802568.db2.gz PCNXNGSTWOLPJH-UWVGGRQHSA-N 2 2 267.333 -0.759 20 0 CBADLP O=C([C@H]1CSC[NH2+]1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000567907115 354804590 /nfs/dbraw/zinc/80/45/90/354804590.db2.gz BZTUQZKMPZCYFN-GHMZBOCLSA-N 2 2 298.412 -0.928 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000568166227 354812131 /nfs/dbraw/zinc/81/21/31/354812131.db2.gz GJYDZJPHTUGIGJ-XDQVBPFNSA-N 2 2 299.415 -0.489 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000568166227 354812135 /nfs/dbraw/zinc/81/21/35/354812135.db2.gz GJYDZJPHTUGIGJ-XDQVBPFNSA-N 2 2 299.415 -0.489 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000568166227 354812138 /nfs/dbraw/zinc/81/21/38/354812138.db2.gz GJYDZJPHTUGIGJ-XDQVBPFNSA-N 2 2 299.415 -0.489 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000568166227 354812142 /nfs/dbraw/zinc/81/21/42/354812142.db2.gz GJYDZJPHTUGIGJ-XDQVBPFNSA-N 2 2 299.415 -0.489 20 0 CBADLP [NH3+][C@H]1C[C@H]2C[N@H+](CCn3ccc([N+](=O)[O-])n3)CCN2C1=O ZINC000568268442 354818974 /nfs/dbraw/zinc/81/89/74/354818974.db2.gz XIZKRPSDPQFJDA-UWVGGRQHSA-N 2 2 294.315 -0.965 20 0 CBADLP [NH3+][C@H]1C[C@H]2C[N@@H+](CCn3ccc([N+](=O)[O-])n3)CCN2C1=O ZINC000568268442 354818976 /nfs/dbraw/zinc/81/89/76/354818976.db2.gz XIZKRPSDPQFJDA-UWVGGRQHSA-N 2 2 294.315 -0.965 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NCC(C)(C)[NH3+] ZINC000568389034 354822750 /nfs/dbraw/zinc/82/27/50/354822750.db2.gz KATMIYQOZKWCRB-UHFFFAOYSA-N 2 2 258.366 -0.704 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NCC(C)(C)[NH3+] ZINC000568389034 354822754 /nfs/dbraw/zinc/82/27/54/354822754.db2.gz KATMIYQOZKWCRB-UHFFFAOYSA-N 2 2 258.366 -0.704 20 0 CBADLP CC1=CC[N@H+](CC[NH2+]CCC(=O)NC(N)=O)CC1 ZINC000568383522 354822815 /nfs/dbraw/zinc/82/28/15/354822815.db2.gz QZACDXNQWMNUAE-UHFFFAOYSA-N 2 2 254.334 -0.187 20 0 CBADLP CC1=CC[N@@H+](CC[NH2+]CCC(=O)NC(N)=O)CC1 ZINC000568383522 354822817 /nfs/dbraw/zinc/82/28/17/354822817.db2.gz QZACDXNQWMNUAE-UHFFFAOYSA-N 2 2 254.334 -0.187 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCN2CCOC[C@H]2C1 ZINC000568408974 354823154 /nfs/dbraw/zinc/82/31/54/354823154.db2.gz NXNGKXGHPNCGLV-OLZOCXBDSA-N 2 2 257.378 -0.685 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCN2CCOC[C@H]2C1 ZINC000568408974 354823158 /nfs/dbraw/zinc/82/31/58/354823158.db2.gz NXNGKXGHPNCGLV-OLZOCXBDSA-N 2 2 257.378 -0.685 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000568408974 354823161 /nfs/dbraw/zinc/82/31/61/354823161.db2.gz NXNGKXGHPNCGLV-OLZOCXBDSA-N 2 2 257.378 -0.685 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCN2CCOC[C@H]2C1 ZINC000568408974 354823164 /nfs/dbraw/zinc/82/31/64/354823164.db2.gz NXNGKXGHPNCGLV-OLZOCXBDSA-N 2 2 257.378 -0.685 20 0 CBADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C)C[NH3+])CC1 ZINC000568629420 354828518 /nfs/dbraw/zinc/82/85/18/354828518.db2.gz FFHGZGKYQNEDOF-NSHDSACASA-N 2 2 270.377 -0.748 20 0 CBADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](C)C[NH3+])CC1 ZINC000568629420 354828521 /nfs/dbraw/zinc/82/85/21/354828521.db2.gz FFHGZGKYQNEDOF-NSHDSACASA-N 2 2 270.377 -0.748 20 0 CBADLP CCOC(=O)C[N@@H+]1CCCN(C(=O)CC[NH3+])CC1 ZINC000568626910 354828700 /nfs/dbraw/zinc/82/87/00/354828700.db2.gz NCUBXFHCCKXAKA-UHFFFAOYSA-N 2 2 257.334 -0.567 20 0 CBADLP CCOC(=O)C[N@H+]1CCCN(C(=O)CC[NH3+])CC1 ZINC000568626910 354828703 /nfs/dbraw/zinc/82/87/03/354828703.db2.gz NCUBXFHCCKXAKA-UHFFFAOYSA-N 2 2 257.334 -0.567 20 0 CBADLP CCCCNC(=O)[C@H](C)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000568664733 354829704 /nfs/dbraw/zinc/82/97/04/354829704.db2.gz RRFSBTHITYBRGS-QJPTWQEYSA-N 2 2 282.388 -0.465 20 0 CBADLP CCCCNC(=O)[C@H](C)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000568664733 354829707 /nfs/dbraw/zinc/82/97/07/354829707.db2.gz RRFSBTHITYBRGS-QJPTWQEYSA-N 2 2 282.388 -0.465 20 0 CBADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000568673274 354829732 /nfs/dbraw/zinc/82/97/32/354829732.db2.gz LXDQOCHZDMKPJX-NEPJUHHUSA-N 2 2 255.362 -0.130 20 0 CBADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000568673274 354829733 /nfs/dbraw/zinc/82/97/33/354829733.db2.gz LXDQOCHZDMKPJX-NEPJUHHUSA-N 2 2 255.362 -0.130 20 0 CBADLP CC[C@@H]1C[NH+](C)CCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000568673274 354829736 /nfs/dbraw/zinc/82/97/36/354829736.db2.gz LXDQOCHZDMKPJX-NEPJUHHUSA-N 2 2 255.362 -0.130 20 0 CBADLP CC[C@@H]1C[NH+](C)CCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000568673274 354829738 /nfs/dbraw/zinc/82/97/38/354829738.db2.gz LXDQOCHZDMKPJX-NEPJUHHUSA-N 2 2 255.362 -0.130 20 0 CBADLP CC(C)[N@@H+]1CC[C@@H](CNC(=O)CN2CC[NH2+]CC2=O)C1 ZINC000568745170 354830520 /nfs/dbraw/zinc/83/05/20/354830520.db2.gz PZLTVDZXCRPPDQ-LBPRGKRZSA-N 2 2 282.388 -0.735 20 0 CBADLP CC(C)[N@H+]1CC[C@@H](CNC(=O)CN2CC[NH2+]CC2=O)C1 ZINC000568745170 354830521 /nfs/dbraw/zinc/83/05/21/354830521.db2.gz PZLTVDZXCRPPDQ-LBPRGKRZSA-N 2 2 282.388 -0.735 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)NCC[NH+]1CCCCCC1 ZINC000567775756 354797388 /nfs/dbraw/zinc/79/73/88/354797388.db2.gz UTXWBOXQMZJIHZ-UHFFFAOYSA-N 2 2 282.388 -0.590 20 0 CBADLP Cn1cc(C[C@@H](CO)[NH2+]C[C@H](O)C[N@H+](C)C2CC2)cn1 ZINC000570803386 354869824 /nfs/dbraw/zinc/86/98/24/354869824.db2.gz QMPGCQHSECWZAI-JSGCOSHPSA-N 2 2 282.388 -0.632 20 0 CBADLP Cn1cc(C[C@@H](CO)[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)cn1 ZINC000570803386 354869827 /nfs/dbraw/zinc/86/98/27/354869827.db2.gz QMPGCQHSECWZAI-JSGCOSHPSA-N 2 2 282.388 -0.632 20 0 CBADLP COC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@@H](C)[NH3+])C1 ZINC000570962332 354873766 /nfs/dbraw/zinc/87/37/66/354873766.db2.gz WTRGHKDXDNGIKD-NXEZZACHSA-N 2 2 257.334 -0.665 20 0 CBADLP [NH3+][C@@H]1C[C@H]2CN(C(=O)c3ccc4[nH+]ccn4c3)CCN2C1=O ZINC000568901550 354835057 /nfs/dbraw/zinc/83/50/57/354835057.db2.gz AOYJINNKLWXXEX-NWDGAFQWSA-N 2 2 299.334 -0.282 20 0 CBADLP Cc1cc(CC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])[nH]n1 ZINC000571682672 354878051 /nfs/dbraw/zinc/87/80/51/354878051.db2.gz UCOSMPNUJVJCMO-LLVKDONJSA-N 2 2 251.334 -0.638 20 0 CBADLP Cc1cc(CC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])[nH]n1 ZINC000571682672 354878053 /nfs/dbraw/zinc/87/80/53/354878053.db2.gz UCOSMPNUJVJCMO-LLVKDONJSA-N 2 2 251.334 -0.638 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000569235120 354841171 /nfs/dbraw/zinc/84/11/71/354841171.db2.gz GALBPNHVNLVIOB-QWRGUYRKSA-N 2 2 252.318 -0.904 20 0 CBADLP C[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)CC(=O)NC(C)C)C1 ZINC000570277784 354858490 /nfs/dbraw/zinc/85/84/90/354858490.db2.gz CQWYQSGPNJXLJO-GFCCVEGCSA-N 2 2 284.404 -0.489 20 0 CBADLP C[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)CC(=O)NC(C)C)C1 ZINC000570277784 354858491 /nfs/dbraw/zinc/85/84/91/354858491.db2.gz CQWYQSGPNJXLJO-GFCCVEGCSA-N 2 2 284.404 -0.489 20 0 CBADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](CCOC[C@@H]3CCCO3)CCN2C1=O ZINC000570294476 354858780 /nfs/dbraw/zinc/85/87/80/354858780.db2.gz VAQAXUFXMNZNQW-FRRDWIJNSA-N 2 2 283.372 -0.574 20 0 CBADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](CCOC[C@@H]3CCCO3)CCN2C1=O ZINC000570294476 354858784 /nfs/dbraw/zinc/85/87/84/354858784.db2.gz VAQAXUFXMNZNQW-FRRDWIJNSA-N 2 2 283.372 -0.574 20 0 CBADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](CCN3C[C@H]4CC[C@@H](C3)O4)CCN2C1=O ZINC000571938293 354883799 /nfs/dbraw/zinc/88/37/99/354883799.db2.gz ABRPJDFAQBCMLD-YIYPIFLZSA-N 2 2 294.399 -0.907 20 0 CBADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](CCN3C[C@H]4CC[C@@H](C3)O4)CCN2C1=O ZINC000571938293 354883804 /nfs/dbraw/zinc/88/38/04/354883804.db2.gz ABRPJDFAQBCMLD-YIYPIFLZSA-N 2 2 294.399 -0.907 20 0 CBADLP C[N@@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](C)C[C@H]1C[NH3+] ZINC000572134354 354887341 /nfs/dbraw/zinc/88/73/41/354887341.db2.gz HCCZGQYZFGFYDZ-NWDGAFQWSA-N 3 2 269.393 -0.635 20 0 CBADLP C[N@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](C)C[C@H]1C[NH3+] ZINC000572134354 354887343 /nfs/dbraw/zinc/88/73/43/354887343.db2.gz HCCZGQYZFGFYDZ-NWDGAFQWSA-N 3 2 269.393 -0.635 20 0 CBADLP C[NH+]1CCC[C@H]1CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000572134354 354887345 /nfs/dbraw/zinc/88/73/45/354887345.db2.gz HCCZGQYZFGFYDZ-NWDGAFQWSA-N 3 2 269.393 -0.635 20 0 CBADLP C[NH+]1CCC[C@H]1CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000572134354 354887347 /nfs/dbraw/zinc/88/73/47/354887347.db2.gz HCCZGQYZFGFYDZ-NWDGAFQWSA-N 3 2 269.393 -0.635 20 0 CBADLP CN(C)C(=O)CC[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000572159563 354888071 /nfs/dbraw/zinc/88/80/71/354888071.db2.gz RUSSKJHQTYCZLC-GFCCVEGCSA-N 2 2 282.388 -0.639 20 0 CBADLP Cc1cc(CC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])n(C)n1 ZINC000572286866 354890632 /nfs/dbraw/zinc/89/06/32/354890632.db2.gz IJPUZINSWPBZQW-GFCCVEGCSA-N 2 2 265.361 -0.628 20 0 CBADLP Cc1cc(CC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])n(C)n1 ZINC000572286866 354890635 /nfs/dbraw/zinc/89/06/35/354890635.db2.gz IJPUZINSWPBZQW-GFCCVEGCSA-N 2 2 265.361 -0.628 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@H]1CC[NH2+]C1 ZINC000572497996 354892447 /nfs/dbraw/zinc/89/24/47/354892447.db2.gz FKXSMAZLFDAAAS-RYUDHWBXSA-N 2 2 270.377 -0.290 20 0 CBADLP C([C@@H]1CCC[NH2+]C1)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000572643091 354893971 /nfs/dbraw/zinc/89/39/71/354893971.db2.gz IVJXTFJGPAELMC-KGLIPLIRSA-N 3 2 252.406 -0.035 20 0 CBADLP C[N@H+](CC(=O)NCC(=O)N1CCCC1)C1CC([NH3+])C1 ZINC000572644088 354895006 /nfs/dbraw/zinc/89/50/06/354895006.db2.gz KFUFCIGJKDGLEI-UHFFFAOYSA-N 2 2 268.361 -0.854 20 0 CBADLP C[N@@H+](CC(=O)NCC(=O)N1CCCC1)C1CC([NH3+])C1 ZINC000572644088 354895011 /nfs/dbraw/zinc/89/50/11/354895011.db2.gz KFUFCIGJKDGLEI-UHFFFAOYSA-N 2 2 268.361 -0.854 20 0 CBADLP COC(=O)C[C@H]1C[N@H+](CCN2CC[NH2+]CC2)CCO1 ZINC000572842640 354898968 /nfs/dbraw/zinc/89/89/68/354898968.db2.gz PEFVNVGIUYTZLU-LBPRGKRZSA-N 2 2 271.361 -0.845 20 0 CBADLP COC(=O)C[C@H]1C[N@@H+](CCN2CC[NH2+]CC2)CCO1 ZINC000572842640 354898970 /nfs/dbraw/zinc/89/89/70/354898970.db2.gz PEFVNVGIUYTZLU-LBPRGKRZSA-N 2 2 271.361 -0.845 20 0 CBADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C[NH2+]C2CC2)CC1 ZINC000572838995 354899175 /nfs/dbraw/zinc/89/91/75/354899175.db2.gz YPLPLULCUGCRBE-NSHDSACASA-N 2 2 283.372 -0.166 20 0 CBADLP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N(C)CCCn1cc[nH+]c1 ZINC000573609655 354917589 /nfs/dbraw/zinc/91/75/89/354917589.db2.gz JVSBQXJEPZKVNT-ZDUSSCGKSA-N 2 2 295.387 -0.169 20 0 CBADLP CC[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+](CC(=O)OC)C1 ZINC000573204074 354906938 /nfs/dbraw/zinc/90/69/38/354906938.db2.gz GOKRHTTZRXZOKH-WDEREUQCSA-N 2 2 271.361 -0.275 20 0 CBADLP CC[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](CC(=O)OC)C1 ZINC000573204074 354906942 /nfs/dbraw/zinc/90/69/42/354906942.db2.gz GOKRHTTZRXZOKH-WDEREUQCSA-N 2 2 271.361 -0.275 20 0 CBADLP Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)CC(F)(F)C[NH3+] ZINC000573216070 354908475 /nfs/dbraw/zinc/90/84/75/354908475.db2.gz UGVFXZXGNJQQPR-VIFPVBQESA-N 2 2 287.314 -0.123 20 0 CBADLP COC(=O)c1cc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c[nH]1 ZINC000573266583 354909415 /nfs/dbraw/zinc/90/94/15/354909415.db2.gz GFSZTEBAVYIKLK-MNOVXSKESA-N 2 2 292.339 -0.455 20 0 CBADLP CC[C@H]1CN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)C[C@@H]1[NH+]1CCOCC1 ZINC000573488783 354913920 /nfs/dbraw/zinc/91/39/20/354913920.db2.gz FMHUQBIFECKOII-DGAVXFQQSA-N 2 2 297.399 -0.722 20 0 CBADLP C[C@H]([NH3+])C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000571801973 354881104 /nfs/dbraw/zinc/88/11/04/354881104.db2.gz BEAVUMFLDQGBOD-YNEHKIRRSA-N 3 2 268.405 -0.086 20 0 CBADLP C[C@H]([NH3+])C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000571801973 354881105 /nfs/dbraw/zinc/88/11/05/354881105.db2.gz BEAVUMFLDQGBOD-YNEHKIRRSA-N 3 2 268.405 -0.086 20 0 CBADLP C[N@@H+]1CCN(C(=O)N[C@H]2C[NH2+]CCC2(F)F)[C@H](C[NH3+])C1 ZINC000571865978 354881933 /nfs/dbraw/zinc/88/19/33/354881933.db2.gz AMOFTWIKIHFXAB-ZJUUUORDSA-N 3 2 291.346 -0.732 20 0 CBADLP C[N@H+]1CCN(C(=O)N[C@H]2C[NH2+]CCC2(F)F)[C@H](C[NH3+])C1 ZINC000571865978 354881936 /nfs/dbraw/zinc/88/19/36/354881936.db2.gz AMOFTWIKIHFXAB-ZJUUUORDSA-N 3 2 291.346 -0.732 20 0 CBADLP CCC(=O)N1CCC[C@H](C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])C1 ZINC000571919059 354882995 /nfs/dbraw/zinc/88/29/95/354882995.db2.gz WYKMIEMDEPFPMR-QWHCGFSZSA-N 2 2 296.415 -0.264 20 0 CBADLP CCC(=O)N1CCC[C@H](C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])C1 ZINC000571919059 354882997 /nfs/dbraw/zinc/88/29/97/354882997.db2.gz WYKMIEMDEPFPMR-QWHCGFSZSA-N 2 2 296.415 -0.264 20 0 CBADLP CC[C@@H](C)NC(=O)C[NH+]1CCN(C[C@@H](C)[NH3+])CC1 ZINC000573803304 354922007 /nfs/dbraw/zinc/92/20/07/354922007.db2.gz WMEPSGUKFWXXMD-VXGBXAGGSA-N 2 2 256.394 -0.134 20 0 CBADLP CC[C@@H](C)NC(=O)C[NH+]1CCN(C[C@H](C)[NH3+])CC1 ZINC000573803301 354922015 /nfs/dbraw/zinc/92/20/15/354922015.db2.gz WMEPSGUKFWXXMD-NWDGAFQWSA-N 2 2 256.394 -0.134 20 0 CBADLP CCC[N@H+](C[C@@H](O)C[NH+](C)CC)[C@@H]1CC(=O)N(C)C1=O ZINC000574096676 354928123 /nfs/dbraw/zinc/92/81/23/354928123.db2.gz DWLPJDRBNAMNKN-NWDGAFQWSA-N 2 2 285.388 -0.232 20 0 CBADLP CCC[N@@H+](C[C@@H](O)C[NH+](C)CC)[C@@H]1CC(=O)N(C)C1=O ZINC000574096676 354928126 /nfs/dbraw/zinc/92/81/26/354928126.db2.gz DWLPJDRBNAMNKN-NWDGAFQWSA-N 2 2 285.388 -0.232 20 0 CBADLP CCC[NH+](C[C@@H](O)C[N@H+](C)CC)[C@@H]1CC(=O)N(C)C1=O ZINC000574096676 354928129 /nfs/dbraw/zinc/92/81/29/354928129.db2.gz DWLPJDRBNAMNKN-NWDGAFQWSA-N 2 2 285.388 -0.232 20 0 CBADLP CCC[NH+](C[C@@H](O)C[N@@H+](C)CC)[C@@H]1CC(=O)N(C)C1=O ZINC000574096676 354928133 /nfs/dbraw/zinc/92/81/33/354928133.db2.gz DWLPJDRBNAMNKN-NWDGAFQWSA-N 2 2 285.388 -0.232 20 0 CBADLP CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000574099085 354928409 /nfs/dbraw/zinc/92/84/09/354928409.db2.gz GQAJJGZEVMBQKA-TUAOUCFPSA-N 2 2 296.415 -0.077 20 0 CBADLP CCC(C)(C)NC(=O)[C@H](C)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000574099085 354928413 /nfs/dbraw/zinc/92/84/13/354928413.db2.gz GQAJJGZEVMBQKA-TUAOUCFPSA-N 2 2 296.415 -0.077 20 0 CBADLP C[N@@H+]1CCN(Cc2cc(C(N)=O)cs2)[C@H](C[NH3+])C1 ZINC000574917250 354931557 /nfs/dbraw/zinc/93/15/57/354931557.db2.gz YWTXOINVYQRLJH-SNVBAGLBSA-N 2 2 268.386 -0.078 20 0 CBADLP C[N@H+]1CCN(Cc2cc(C(N)=O)cs2)[C@H](C[NH3+])C1 ZINC000574917250 354931558 /nfs/dbraw/zinc/93/15/58/354931558.db2.gz YWTXOINVYQRLJH-SNVBAGLBSA-N 2 2 268.386 -0.078 20 0 CBADLP C[C@H]([C@H](C)NC(=O)[C@]12C[C@H]1CC[NH2+]2)[NH+]1CCOCC1 ZINC000578363199 354944770 /nfs/dbraw/zinc/94/47/70/354944770.db2.gz IAEFMBJFPGNARA-SFTQSGBHSA-N 2 2 267.373 -0.036 20 0 CBADLP COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH2+]2)C1 ZINC000578441420 354945754 /nfs/dbraw/zinc/94/57/54/354945754.db2.gz UGTQDYNBTVDHMT-GHMZBOCLSA-N 2 2 269.345 -0.651 20 0 CBADLP COC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH2+]2)C1 ZINC000578441420 354945758 /nfs/dbraw/zinc/94/57/58/354945758.db2.gz UGTQDYNBTVDHMT-GHMZBOCLSA-N 2 2 269.345 -0.651 20 0 CBADLP C[C@@H](CNC(=O)CC[NH2+]C1CC1)[NH+]1CCN(C)CC1 ZINC000578522843 354948896 /nfs/dbraw/zinc/94/88/96/354948896.db2.gz YSDOMJKAZCOFBD-LBPRGKRZSA-N 2 2 268.405 -0.119 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](C(=O)N(C)C)C1 ZINC000579255679 354967616 /nfs/dbraw/zinc/96/76/16/354967616.db2.gz NANIKLKLPDXXJO-STQMWFEESA-N 2 2 287.404 -0.664 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](C(=O)N(C)C)C1 ZINC000579255679 354967619 /nfs/dbraw/zinc/96/76/19/354967619.db2.gz NANIKLKLPDXXJO-STQMWFEESA-N 2 2 287.404 -0.664 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](C(=O)N(C)C)C1 ZINC000579255679 354967622 /nfs/dbraw/zinc/96/76/22/354967622.db2.gz NANIKLKLPDXXJO-STQMWFEESA-N 2 2 287.404 -0.664 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](C(=O)N(C)C)C1 ZINC000579255679 354967624 /nfs/dbraw/zinc/96/76/24/354967624.db2.gz NANIKLKLPDXXJO-STQMWFEESA-N 2 2 287.404 -0.664 20 0 CBADLP C[C@H]1CC[N@H+](CC(=O)N2CC[NH+](CCO)C[C@H]2C)C1 ZINC000579373586 354969366 /nfs/dbraw/zinc/96/93/66/354969366.db2.gz ZFANLMUBYATVLF-QWHCGFSZSA-N 2 2 269.389 -0.147 20 0 CBADLP C[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](CCO)C[C@H]2C)C1 ZINC000579373586 354969368 /nfs/dbraw/zinc/96/93/68/354969368.db2.gz ZFANLMUBYATVLF-QWHCGFSZSA-N 2 2 269.389 -0.147 20 0 CBADLP C[C@H]1CC[NH+](CC(=O)N2CC[N@H+](CCO)C[C@H]2C)C1 ZINC000579373586 354969371 /nfs/dbraw/zinc/96/93/71/354969371.db2.gz ZFANLMUBYATVLF-QWHCGFSZSA-N 2 2 269.389 -0.147 20 0 CBADLP C[C@H]1CC[NH+](CC(=O)N2CC[N@@H+](CCO)C[C@H]2C)C1 ZINC000579373586 354969374 /nfs/dbraw/zinc/96/93/74/354969374.db2.gz ZFANLMUBYATVLF-QWHCGFSZSA-N 2 2 269.389 -0.147 20 0 CBADLP COCCn1cc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cn1 ZINC000579853678 354981698 /nfs/dbraw/zinc/98/16/98/354981698.db2.gz ZCOHIWPCGKGCRQ-STQMWFEESA-N 2 2 293.371 -0.727 20 0 CBADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C)C(=O)NCC[NH+](C)C ZINC000579857986 354982200 /nfs/dbraw/zinc/98/22/00/354982200.db2.gz NTIZNXZXQFNIKK-QWRGUYRKSA-N 2 2 295.387 -0.229 20 0 CBADLP C[N@H+](C[C@H](O)C[NH2+]C[C@H]1CC[C@@H](C(N)=O)O1)C1CC1 ZINC000579943275 354983346 /nfs/dbraw/zinc/98/33/46/354983346.db2.gz IICPMRBLOGIQGW-UTUOFQBUSA-N 2 2 271.361 -0.936 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH2+]C[C@H]1CC[C@@H](C(N)=O)O1)C1CC1 ZINC000579943275 354983348 /nfs/dbraw/zinc/98/33/48/354983348.db2.gz IICPMRBLOGIQGW-UTUOFQBUSA-N 2 2 271.361 -0.936 20 0 CBADLP Cn1cc[nH+]c1CN1CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000579961137 354984770 /nfs/dbraw/zinc/98/47/70/354984770.db2.gz CPZLCSHQOXXXRJ-TXEJJXNPSA-N 2 2 277.372 -0.198 20 0 CBADLP CNC(=O)[C@H]1C[N@H+](CCCc2c[nH+]cn2C)CCO1 ZINC000579968701 354985290 /nfs/dbraw/zinc/98/52/90/354985290.db2.gz QTCFAZCMBZEWGO-GFCCVEGCSA-N 2 2 266.345 -0.201 20 0 CBADLP CNC(=O)[C@H]1C[N@@H+](CCCc2c[nH+]cn2C)CCO1 ZINC000579968701 354985292 /nfs/dbraw/zinc/98/52/92/354985292.db2.gz QTCFAZCMBZEWGO-GFCCVEGCSA-N 2 2 266.345 -0.201 20 0 CBADLP Cn1c[nH+]cc1CNC(=O)NCC[N@@H+]1CCCOCC1 ZINC000580020455 354985751 /nfs/dbraw/zinc/98/57/51/354985751.db2.gz QGBPRXHRDIXLAU-UHFFFAOYSA-N 2 2 281.360 -0.058 20 0 CBADLP Cn1c[nH+]cc1CNC(=O)NCC[N@H+]1CCCOCC1 ZINC000580020455 354985755 /nfs/dbraw/zinc/98/57/55/354985755.db2.gz QGBPRXHRDIXLAU-UHFFFAOYSA-N 2 2 281.360 -0.058 20 0 CBADLP C[N@H+]1CCN(C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)[C@@H](C[NH3+])C1 ZINC000580053725 354986235 /nfs/dbraw/zinc/98/62/35/354986235.db2.gz JYKYIZMXVKKGLF-PWSUYJOCSA-N 2 2 295.387 -0.966 20 0 CBADLP CN1CCC[C@H]([NH2+]C[C@H](O)C[N@H+](C)C2CC2)C1=O ZINC000580184820 354989999 /nfs/dbraw/zinc/98/99/99/354989999.db2.gz WDXVMVCYGSRWTC-RYUDHWBXSA-N 2 2 255.362 -0.348 20 0 CBADLP CN1CCC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)C1=O ZINC000580184820 354990001 /nfs/dbraw/zinc/99/00/01/354990001.db2.gz WDXVMVCYGSRWTC-RYUDHWBXSA-N 2 2 255.362 -0.348 20 0 CBADLP [NH3+]C[C@H]1C[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CCCO1 ZINC000580312572 354992559 /nfs/dbraw/zinc/99/25/59/354992559.db2.gz ZQCAEEKZHGYCHF-JYJNAYRXSA-N 3 2 293.411 -0.033 20 0 CBADLP [NH3+]C[C@H]1C[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CCCO1 ZINC000580312572 354992563 /nfs/dbraw/zinc/99/25/63/354992563.db2.gz ZQCAEEKZHGYCHF-JYJNAYRXSA-N 3 2 293.411 -0.033 20 0 CBADLP CC(C)([NH3+])C[N@@H+]1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000580326654 354993831 /nfs/dbraw/zinc/99/38/31/354993831.db2.gz WOCWGOOQLASNGB-STQMWFEESA-N 3 2 295.431 -0.056 20 0 CBADLP CC(C)([NH3+])C[N@H+]1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000580326654 354993832 /nfs/dbraw/zinc/99/38/32/354993832.db2.gz WOCWGOOQLASNGB-STQMWFEESA-N 3 2 295.431 -0.056 20 0 CBADLP Cc1cc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)on1 ZINC000580347284 354994441 /nfs/dbraw/zinc/99/44/41/354994441.db2.gz QVECRJYSHFKHMT-MWLCHTKSSA-N 2 2 250.302 -0.273 20 0 CBADLP Cc1cc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)on1 ZINC000580347284 354994443 /nfs/dbraw/zinc/99/44/43/354994443.db2.gz QVECRJYSHFKHMT-MWLCHTKSSA-N 2 2 250.302 -0.273 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)CN(C)CC[NH+]1CCOCC1 ZINC000580752589 354998262 /nfs/dbraw/zinc/99/82/62/354998262.db2.gz BIQBLKSMFMYAGE-AWEZNQCLSA-N 2 2 289.420 -0.811 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)CN(C)CC[NH+]1CCOCC1 ZINC000580752589 354998265 /nfs/dbraw/zinc/99/82/65/354998265.db2.gz BIQBLKSMFMYAGE-AWEZNQCLSA-N 2 2 289.420 -0.811 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)CCN1CCOCC1 ZINC000580752589 354998269 /nfs/dbraw/zinc/99/82/69/354998269.db2.gz BIQBLKSMFMYAGE-AWEZNQCLSA-N 2 2 289.420 -0.811 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)CCN1CCOCC1 ZINC000580752589 354998274 /nfs/dbraw/zinc/99/82/74/354998274.db2.gz BIQBLKSMFMYAGE-AWEZNQCLSA-N 2 2 289.420 -0.811 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)CCN1CCOCC1 ZINC000580752589 354998277 /nfs/dbraw/zinc/99/82/77/354998277.db2.gz BIQBLKSMFMYAGE-AWEZNQCLSA-N 2 2 289.420 -0.811 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)CCN1CCOCC1 ZINC000580752589 354998280 /nfs/dbraw/zinc/99/82/80/354998280.db2.gz BIQBLKSMFMYAGE-AWEZNQCLSA-N 2 2 289.420 -0.811 20 0 CBADLP C[N@@H+]1CCN(C(=O)COc2cccnc2)[C@H](C[NH3+])C1 ZINC000580895453 355000675 /nfs/dbraw/zinc/00/06/75/355000675.db2.gz UAYKVSQPDSUFDI-LLVKDONJSA-N 2 2 264.329 -0.438 20 0 CBADLP C[N@H+]1CCN(C(=O)COc2cccnc2)[C@H](C[NH3+])C1 ZINC000580895453 355000680 /nfs/dbraw/zinc/00/06/80/355000680.db2.gz UAYKVSQPDSUFDI-LLVKDONJSA-N 2 2 264.329 -0.438 20 0 CBADLP C[N@@H+]1CCN(C(=O)N[C@H]2CC[NH+](C3CC3)C2)[C@H](C[NH3+])C1 ZINC000584519394 355031032 /nfs/dbraw/zinc/03/10/32/355031032.db2.gz HMVKFYNNQVCAMP-WCQYABFASA-N 3 2 281.404 -0.493 20 0 CBADLP C[N@H+]1CCN(C(=O)N[C@H]2CC[NH+](C3CC3)C2)[C@H](C[NH3+])C1 ZINC000584519394 355031035 /nfs/dbraw/zinc/03/10/35/355031035.db2.gz HMVKFYNNQVCAMP-WCQYABFASA-N 3 2 281.404 -0.493 20 0 CBADLP C[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)[C@H](C[NH3+])C1 ZINC000584519394 355031038 /nfs/dbraw/zinc/03/10/38/355031038.db2.gz HMVKFYNNQVCAMP-WCQYABFASA-N 3 2 281.404 -0.493 20 0 CBADLP C[NH+]1CCN(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)[C@H](C[NH3+])C1 ZINC000584519394 355031042 /nfs/dbraw/zinc/03/10/42/355031042.db2.gz HMVKFYNNQVCAMP-WCQYABFASA-N 3 2 281.404 -0.493 20 0 CBADLP CCC(C)(C)NC(=O)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000584849760 355040522 /nfs/dbraw/zinc/04/05/22/355040522.db2.gz LEZBIIJLTZKFIW-QWRGUYRKSA-N 2 2 282.388 -0.465 20 0 CBADLP CCC(C)(C)NC(=O)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000584849760 355040529 /nfs/dbraw/zinc/04/05/29/355040529.db2.gz LEZBIIJLTZKFIW-QWRGUYRKSA-N 2 2 282.388 -0.465 20 0 CBADLP C[NH2+]C[C@@H](C)CNC(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000582061192 355006328 /nfs/dbraw/zinc/00/63/28/355006328.db2.gz DPQQOUARFMIFNP-LLVKDONJSA-N 2 2 272.393 -0.586 20 0 CBADLP C[NH2+]C[C@@H](C)CNC(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000582061192 355006332 /nfs/dbraw/zinc/00/63/32/355006332.db2.gz DPQQOUARFMIFNP-LLVKDONJSA-N 2 2 272.393 -0.586 20 0 CBADLP C[NH2+][C@@H](C(=O)NCC[N@@H+]1CCO[C@H](C)C1)c1cnn(C)c1 ZINC000582065507 355007695 /nfs/dbraw/zinc/00/76/95/355007695.db2.gz QVGDDDRYFBHPCP-DGCLKSJQSA-N 2 2 295.387 -0.483 20 0 CBADLP C[NH2+][C@@H](C(=O)NCC[N@H+]1CCO[C@H](C)C1)c1cnn(C)c1 ZINC000582065507 355007698 /nfs/dbraw/zinc/00/76/98/355007698.db2.gz QVGDDDRYFBHPCP-DGCLKSJQSA-N 2 2 295.387 -0.483 20 0 CBADLP C[N@H+](C[C@H](O)C[NH2+]C[C@@H]1CCCCS1(=O)=O)C1CC1 ZINC000582117719 355008434 /nfs/dbraw/zinc/00/84/34/355008434.db2.gz CXNUJDMKRBXPKE-OLZOCXBDSA-N 2 2 290.429 -0.002 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH2+]C[C@@H]1CCCCS1(=O)=O)C1CC1 ZINC000582117719 355008437 /nfs/dbraw/zinc/00/84/37/355008437.db2.gz CXNUJDMKRBXPKE-OLZOCXBDSA-N 2 2 290.429 -0.002 20 0 CBADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CCC(=O)N(C)C)C[C@@H](C)O1 ZINC000582176115 355009359 /nfs/dbraw/zinc/00/93/59/355009359.db2.gz CKIAPRFXFFTJGE-JHJVBQTASA-N 2 2 287.404 -0.476 20 0 CBADLP CN(C)c1nccc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)n1 ZINC000582252721 355013311 /nfs/dbraw/zinc/01/33/11/355013311.db2.gz PPNNTFXCCITUEC-NWDGAFQWSA-N 2 2 290.371 -0.714 20 0 CBADLP CN(C)c1nccc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)n1 ZINC000582252721 355013313 /nfs/dbraw/zinc/01/33/13/355013313.db2.gz PPNNTFXCCITUEC-NWDGAFQWSA-N 2 2 290.371 -0.714 20 0 CBADLP CCCN(CCC)C(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000582370906 355015116 /nfs/dbraw/zinc/01/51/16/355015116.db2.gz DCAXPGOSYOLKMA-CHWSQXEVSA-N 2 2 296.415 -0.121 20 0 CBADLP CCCN(CCC)C(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000582370906 355015119 /nfs/dbraw/zinc/01/51/19/355015119.db2.gz DCAXPGOSYOLKMA-CHWSQXEVSA-N 2 2 296.415 -0.121 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@@H]2CC[NH2+][C@@H]2C)CC1 ZINC000583563313 355019872 /nfs/dbraw/zinc/01/98/72/355019872.db2.gz OVVRYVPZZFHXSN-DGCLKSJQSA-N 2 2 282.388 -0.735 20 0 CBADLP Cc1noc(CCC[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)n1 ZINC000583883020 355024019 /nfs/dbraw/zinc/02/40/19/355024019.db2.gz CMTHMFVKZIZXSY-QWRGUYRKSA-N 2 2 279.344 -0.446 20 0 CBADLP C[C@H]1COCC[N@@H+]1C1CC[NH+](CCC(=O)NC(N)=O)CC1 ZINC000584003167 355027306 /nfs/dbraw/zinc/02/73/06/355027306.db2.gz XLYBTXQHBPYTMI-NSHDSACASA-N 2 2 298.387 -0.244 20 0 CBADLP C[C@H]1COCC[N@H+]1C1CC[NH+](CCC(=O)NC(N)=O)CC1 ZINC000584003167 355027308 /nfs/dbraw/zinc/02/73/08/355027308.db2.gz XLYBTXQHBPYTMI-NSHDSACASA-N 2 2 298.387 -0.244 20 0 CBADLP CNC(=O)NC(=O)C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000585717013 355049296 /nfs/dbraw/zinc/04/92/96/355049296.db2.gz SZAAFOVEGBXSTD-LBPRGKRZSA-N 2 2 298.387 -0.371 20 0 CBADLP CNC(=O)NC(=O)C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000585717013 355049297 /nfs/dbraw/zinc/04/92/97/355049297.db2.gz SZAAFOVEGBXSTD-LBPRGKRZSA-N 2 2 298.387 -0.371 20 0 CBADLP C[N@H+](CC(=O)NC(N)=O)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000586781204 355053536 /nfs/dbraw/zinc/05/35/36/355053536.db2.gz GOVYNBOGUBVOQQ-ULKQDVFKSA-N 2 2 254.334 -0.262 20 0 CBADLP C[N@@H+](CC(=O)NC(N)=O)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000586781204 355053539 /nfs/dbraw/zinc/05/35/39/355053539.db2.gz GOVYNBOGUBVOQQ-ULKQDVFKSA-N 2 2 254.334 -0.262 20 0 CBADLP C[NH+](CC(=O)NC(N)=O)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000586781204 355053542 /nfs/dbraw/zinc/05/35/42/355053542.db2.gz GOVYNBOGUBVOQQ-ULKQDVFKSA-N 2 2 254.334 -0.262 20 0 CBADLP C[NH+](CC(=O)NC(N)=O)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000586781204 355053544 /nfs/dbraw/zinc/05/35/44/355053544.db2.gz GOVYNBOGUBVOQQ-ULKQDVFKSA-N 2 2 254.334 -0.262 20 0 CBADLP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000592181073 355136806 /nfs/dbraw/zinc/13/68/06/355136806.db2.gz BJAWPNLMNQHDTC-NSHDSACASA-N 2 2 298.387 -0.373 20 0 CBADLP CNC(=O)NC(=O)[C@H](C)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000592181073 355136809 /nfs/dbraw/zinc/13/68/09/355136809.db2.gz BJAWPNLMNQHDTC-NSHDSACASA-N 2 2 298.387 -0.373 20 0 CBADLP COC(=O)[C@@H]1C[C@H](O)C[N@H+](CCc2c[nH+]cn2C)C1 ZINC000592194204 355138630 /nfs/dbraw/zinc/13/86/30/355138630.db2.gz FDPJLVFOIIPOFX-PWSUYJOCSA-N 2 2 267.329 -0.182 20 0 CBADLP COC(=O)[C@@H]1C[C@H](O)C[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000592194204 355138635 /nfs/dbraw/zinc/13/86/35/355138635.db2.gz FDPJLVFOIIPOFX-PWSUYJOCSA-N 2 2 267.329 -0.182 20 0 CBADLP COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](C)C[NH3+])C1 ZINC000592278412 355146279 /nfs/dbraw/zinc/14/62/79/355146279.db2.gz RGZMXLRRISOVKT-QWRGUYRKSA-N 2 2 271.361 -0.418 20 0 CBADLP COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H](C)C[NH3+])C1 ZINC000592278412 355146280 /nfs/dbraw/zinc/14/62/80/355146280.db2.gz RGZMXLRRISOVKT-QWRGUYRKSA-N 2 2 271.361 -0.418 20 0 CBADLP COC(=O)CCNC(=O)C[NH+]1CCC(C)([NH3+])CC1 ZINC000592484402 355156124 /nfs/dbraw/zinc/15/61/24/355156124.db2.gz ATBPEALPPCGZLB-UHFFFAOYSA-N 2 2 257.334 -0.521 20 0 CBADLP CCOC(=O)c1cnn(C)c1NC(=O)C[N@H+](C)CCC[NH3+] ZINC000592474221 355156585 /nfs/dbraw/zinc/15/65/85/355156585.db2.gz CLCAUMWOUIHZGP-UHFFFAOYSA-N 2 2 297.359 -0.184 20 0 CBADLP CCOC(=O)c1cnn(C)c1NC(=O)C[N@@H+](C)CCC[NH3+] ZINC000592474221 355156589 /nfs/dbraw/zinc/15/65/89/355156589.db2.gz CLCAUMWOUIHZGP-UHFFFAOYSA-N 2 2 297.359 -0.184 20 0 CBADLP COC(=O)[C@H]1C[C@H](O)C[N@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000592529551 355158884 /nfs/dbraw/zinc/15/88/84/355158884.db2.gz LSLZCWOMMNOHSX-JQWIXIFHSA-N 2 2 296.371 -0.158 20 0 CBADLP COC(=O)[C@H]1C[C@H](O)C[N@@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000592529551 355158888 /nfs/dbraw/zinc/15/88/88/355158888.db2.gz LSLZCWOMMNOHSX-JQWIXIFHSA-N 2 2 296.371 -0.158 20 0 CBADLP COC(=O)[C@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)C(C)C ZINC000593901191 355225988 /nfs/dbraw/zinc/22/59/88/355225988.db2.gz AXVUFGFTQUREHZ-NXEZZACHSA-N 2 2 259.350 -0.421 20 0 CBADLP COC(=O)[C@@](C)(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C1CC1 ZINC000593902422 355226320 /nfs/dbraw/zinc/22/63/20/355226320.db2.gz SWGRRQBIVBVEAY-GWCFXTLKSA-N 2 2 271.361 -0.277 20 0 CBADLP CCOC(=O)CCCNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000593902400 355226556 /nfs/dbraw/zinc/22/65/56/355226556.db2.gz SHCRASUOYOMFKK-JTQLQIEISA-N 2 2 259.350 -0.275 20 0 CBADLP CC(C)OC(=O)[C@@H](C)CNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000593909974 355227855 /nfs/dbraw/zinc/22/78/55/355227855.db2.gz OUEZKBDFWLUURF-QWRGUYRKSA-N 2 2 273.377 -0.031 20 0 CBADLP COC(=O)[C@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C1CC1 ZINC000593908591 355227864 /nfs/dbraw/zinc/22/78/64/355227864.db2.gz AXGMUXWOMKWKLN-VHSXEESVSA-N 2 2 257.334 -0.667 20 0 CBADLP COC(=O)[C@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)C1CC1 ZINC000593908589 355228360 /nfs/dbraw/zinc/22/83/60/355228360.db2.gz AXGMUXWOMKWKLN-NXEZZACHSA-N 2 2 257.334 -0.667 20 0 CBADLP COC(=O)[C@H](C)CN(C)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000593907952 355228389 /nfs/dbraw/zinc/22/83/89/355228389.db2.gz WHRFYIYXZNPVOK-NXEZZACHSA-N 2 2 259.350 -0.467 20 0 CBADLP COC(=O)[C@@H]1CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C[C@H](C)O1 ZINC000593917933 355230623 /nfs/dbraw/zinc/23/06/23/355230623.db2.gz MCBXLWPCTKQIPM-DCAQKATOSA-N 2 2 287.360 -0.946 20 0 CBADLP COC(=O)c1ccc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)o1 ZINC000594736417 355259327 /nfs/dbraw/zinc/25/93/27/355259327.db2.gz HKGSNTCHVCLJJR-MWLCHTKSSA-N 2 2 293.323 -0.190 20 0 CBADLP COC(=O)c1ccc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)o1 ZINC000594736417 355259330 /nfs/dbraw/zinc/25/93/30/355259330.db2.gz HKGSNTCHVCLJJR-MWLCHTKSSA-N 2 2 293.323 -0.190 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+]C[C@@H]2CNc3ccnn3C2)CC1 ZINC000595145501 355272358 /nfs/dbraw/zinc/27/23/58/355272358.db2.gz CVELURYHDVGNAB-GFCCVEGCSA-N 2 2 292.387 -0.712 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595506886 355288969 /nfs/dbraw/zinc/28/89/69/355288969.db2.gz IFWVODBGCRVXFA-ZWNOBZJWSA-N 2 2 268.361 -0.013 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595506886 355288972 /nfs/dbraw/zinc/28/89/72/355288972.db2.gz IFWVODBGCRVXFA-ZWNOBZJWSA-N 2 2 268.361 -0.013 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000595506886 355288974 /nfs/dbraw/zinc/28/89/74/355288974.db2.gz IFWVODBGCRVXFA-ZWNOBZJWSA-N 2 2 268.361 -0.013 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000595506886 355288979 /nfs/dbraw/zinc/28/89/79/355288979.db2.gz IFWVODBGCRVXFA-ZWNOBZJWSA-N 2 2 268.361 -0.013 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595506884 355289203 /nfs/dbraw/zinc/28/92/03/355289203.db2.gz IFWVODBGCRVXFA-MFKMUULPSA-N 2 2 268.361 -0.013 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595506884 355289206 /nfs/dbraw/zinc/28/92/06/355289206.db2.gz IFWVODBGCRVXFA-MFKMUULPSA-N 2 2 268.361 -0.013 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000595506884 355289208 /nfs/dbraw/zinc/28/92/08/355289208.db2.gz IFWVODBGCRVXFA-MFKMUULPSA-N 2 2 268.361 -0.013 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000595506884 355289209 /nfs/dbraw/zinc/28/92/09/355289209.db2.gz IFWVODBGCRVXFA-MFKMUULPSA-N 2 2 268.361 -0.013 20 0 CBADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595506882 355289550 /nfs/dbraw/zinc/28/95/50/355289550.db2.gz IFWVODBGCRVXFA-GXFFZTMASA-N 2 2 268.361 -0.013 20 0 CBADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595506882 355289552 /nfs/dbraw/zinc/28/95/52/355289552.db2.gz IFWVODBGCRVXFA-GXFFZTMASA-N 2 2 268.361 -0.013 20 0 CBADLP C[C@@H](C(=O)NC(N)=O)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000595506882 355289555 /nfs/dbraw/zinc/28/95/55/355289555.db2.gz IFWVODBGCRVXFA-GXFFZTMASA-N 2 2 268.361 -0.013 20 0 CBADLP C[C@@H](C(=O)NC(N)=O)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000595506882 355289558 /nfs/dbraw/zinc/28/95/58/355289558.db2.gz IFWVODBGCRVXFA-GXFFZTMASA-N 2 2 268.361 -0.013 20 0 CBADLP COC(=O)CNC(=O)CC[N@@H+]1CCn2c[nH+]cc2C1 ZINC000595494151 355289582 /nfs/dbraw/zinc/28/95/82/355289582.db2.gz KAGISFOFVLCGBJ-UHFFFAOYSA-N 2 2 266.301 -0.622 20 0 CBADLP COC(=O)CNC(=O)CC[N@H+]1CCn2c[nH+]cc2C1 ZINC000595494151 355289584 /nfs/dbraw/zinc/28/95/84/355289584.db2.gz KAGISFOFVLCGBJ-UHFFFAOYSA-N 2 2 266.301 -0.622 20 0 CBADLP COC(=O)c1cn([C@@H]2CC[N@H+](C[C@@H]3C[NH2+]CCO3)C2)nn1 ZINC000595890824 355314849 /nfs/dbraw/zinc/31/48/49/355314849.db2.gz FJKCUQZWILOLDV-MNOVXSKESA-N 2 2 295.343 -0.700 20 0 CBADLP COC(=O)c1cn([C@@H]2CC[N@@H+](C[C@@H]3C[NH2+]CCO3)C2)nn1 ZINC000595890824 355314853 /nfs/dbraw/zinc/31/48/53/355314853.db2.gz FJKCUQZWILOLDV-MNOVXSKESA-N 2 2 295.343 -0.700 20 0 CBADLP COC(=O)CCN1CC[C@H]([N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)C1=O ZINC000595895555 355315743 /nfs/dbraw/zinc/31/57/43/355315743.db2.gz PFLMICRWYYGYMF-AVGNSLFASA-N 2 2 295.383 -0.166 20 0 CBADLP COC(=O)CCN1CC[C@H]([N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)C1=O ZINC000595895555 355315745 /nfs/dbraw/zinc/31/57/45/355315745.db2.gz PFLMICRWYYGYMF-AVGNSLFASA-N 2 2 295.383 -0.166 20 0 CBADLP Cc1nnsc1C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000595902978 355316949 /nfs/dbraw/zinc/31/69/49/355316949.db2.gz LBGIKUPOSCWJSE-DTWKUNHWSA-N 2 2 267.358 -0.410 20 0 CBADLP Cc1nnsc1C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000595902978 355316950 /nfs/dbraw/zinc/31/69/50/355316950.db2.gz LBGIKUPOSCWJSE-DTWKUNHWSA-N 2 2 267.358 -0.410 20 0 CBADLP NC(=O)NC(=O)CC[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000595470788 355288070 /nfs/dbraw/zinc/28/80/70/355288070.db2.gz SNHUQMGRSVDOGR-LBPRGKRZSA-N 2 2 298.387 -0.242 20 0 CBADLP NC(=O)NC(=O)CC[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000595470788 355288072 /nfs/dbraw/zinc/28/80/72/355288072.db2.gz SNHUQMGRSVDOGR-LBPRGKRZSA-N 2 2 298.387 -0.242 20 0 CBADLP COc1ccc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cn1 ZINC000598684293 355449985 /nfs/dbraw/zinc/44/99/85/355449985.db2.gz VJOFKKQXVQXOFP-NEPJUHHUSA-N 2 2 276.340 -0.166 20 0 CBADLP COc1ccc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cn1 ZINC000598684293 355449986 /nfs/dbraw/zinc/44/99/86/355449986.db2.gz VJOFKKQXVQXOFP-NEPJUHHUSA-N 2 2 276.340 -0.166 20 0 CBADLP COC(=O)[C@]1(OC)CC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000599557979 355498840 /nfs/dbraw/zinc/49/88/40/355498840.db2.gz CLKLLOPMFSYZHL-JSGCOSHPSA-N 2 2 286.372 -0.295 20 0 CBADLP COC(=O)[C@]1(OC)CC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000599557979 355498842 /nfs/dbraw/zinc/49/88/42/355498842.db2.gz CLKLLOPMFSYZHL-JSGCOSHPSA-N 2 2 286.372 -0.295 20 0 CBADLP COC(=O)[C@]1(OC)CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000599557979 355498847 /nfs/dbraw/zinc/49/88/47/355498847.db2.gz CLKLLOPMFSYZHL-JSGCOSHPSA-N 2 2 286.372 -0.295 20 0 CBADLP COC(=O)[C@]1(OC)CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000599557979 355498851 /nfs/dbraw/zinc/49/88/51/355498851.db2.gz CLKLLOPMFSYZHL-JSGCOSHPSA-N 2 2 286.372 -0.295 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@](OC)(C(=O)OC)C1 ZINC000599557798 355499153 /nfs/dbraw/zinc/49/91/53/355499153.db2.gz CBLATCZQGYIIIQ-AAEUAGOBSA-N 2 2 274.361 -0.437 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@](OC)(C(=O)OC)C1 ZINC000599557798 355499155 /nfs/dbraw/zinc/49/91/55/355499155.db2.gz CBLATCZQGYIIIQ-AAEUAGOBSA-N 2 2 274.361 -0.437 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@](OC)(C(=O)OC)C1 ZINC000599557798 355499157 /nfs/dbraw/zinc/49/91/57/355499157.db2.gz CBLATCZQGYIIIQ-AAEUAGOBSA-N 2 2 274.361 -0.437 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@](OC)(C(=O)OC)C1 ZINC000599557798 355499159 /nfs/dbraw/zinc/49/91/59/355499159.db2.gz CBLATCZQGYIIIQ-AAEUAGOBSA-N 2 2 274.361 -0.437 20 0 CBADLP COC(=O)[C@@]1(OC)CC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000599566533 355501583 /nfs/dbraw/zinc/50/15/83/355501583.db2.gz FEWGEOOBDAICSX-CQSZACIVSA-N 2 2 299.371 -0.976 20 0 CBADLP COC(=O)[C@@]1(OC)CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000599566533 355501586 /nfs/dbraw/zinc/50/15/86/355501586.db2.gz FEWGEOOBDAICSX-CQSZACIVSA-N 2 2 299.371 -0.976 20 0 CBADLP COC(=O)CCNC(=O)CC[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000599005665 355459045 /nfs/dbraw/zinc/45/90/45/355459045.db2.gz WSTGMDHDZVSOEL-UHFFFAOYSA-N 2 2 294.355 -0.012 20 0 CBADLP COC(=O)CCNC(=O)CC[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000599007439 355459322 /nfs/dbraw/zinc/45/93/22/355459322.db2.gz KBXAFTWCHKPCOY-QWRGUYRKSA-N 2 2 271.361 -0.405 20 0 CBADLP COC(=O)CCNC(=O)CC[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000599007439 355459324 /nfs/dbraw/zinc/45/93/24/355459324.db2.gz KBXAFTWCHKPCOY-QWRGUYRKSA-N 2 2 271.361 -0.405 20 0 CBADLP CCOC(=O)C[C@@H](O)C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000599334162 355480821 /nfs/dbraw/zinc/48/08/21/355480821.db2.gz CXSVAQGOOUENMW-GFCCVEGCSA-N 2 2 296.371 -0.144 20 0 CBADLP CCn1nnc(C)c1C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000600707620 355562088 /nfs/dbraw/zinc/56/20/88/355562088.db2.gz CPHTWALPWFYWIP-QWRGUYRKSA-N 2 2 278.360 -0.650 20 0 CBADLP CCn1nnc(C)c1C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000600707620 355562093 /nfs/dbraw/zinc/56/20/93/355562093.db2.gz CPHTWALPWFYWIP-QWRGUYRKSA-N 2 2 278.360 -0.650 20 0 CBADLP C[N@@H+]1CCC[C@@H]1CN(CCO)CC[NH+]1CCOCC1 ZINC000600640614 355559505 /nfs/dbraw/zinc/55/95/05/355559505.db2.gz ANJUCGOFHBLARK-CQSZACIVSA-N 2 2 271.405 -0.293 20 0 CBADLP C[N@H+]1CCC[C@@H]1CN(CCO)CC[NH+]1CCOCC1 ZINC000600640614 355559509 /nfs/dbraw/zinc/55/95/09/355559509.db2.gz ANJUCGOFHBLARK-CQSZACIVSA-N 2 2 271.405 -0.293 20 0 CBADLP CCN1CC[NH+]([C@@H]2CCN(C(=O)N[C@@H]3CC[NH2+]C3)C2)CC1 ZINC000599941396 355520231 /nfs/dbraw/zinc/52/02/31/355520231.db2.gz ZLJRZGFVRMQBCF-ZIAGYGMSSA-N 2 2 295.431 -0.230 20 0 CBADLP Cc1nccnc1C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000601326918 355586323 /nfs/dbraw/zinc/58/63/23/355586323.db2.gz XPGQMAADXBFFHX-GHMZBOCLSA-N 2 2 261.329 -0.471 20 0 CBADLP Cc1nccnc1C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000601326918 355586326 /nfs/dbraw/zinc/58/63/26/355586326.db2.gz XPGQMAADXBFFHX-GHMZBOCLSA-N 2 2 261.329 -0.471 20 0 CBADLP Nc1ncccc1C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000600708196 355562523 /nfs/dbraw/zinc/56/25/23/355562523.db2.gz DLTXUMQNTOPPCR-MNOVXSKESA-N 2 2 261.329 -0.592 20 0 CBADLP Nc1ncccc1C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000600708196 355562525 /nfs/dbraw/zinc/56/25/25/355562525.db2.gz DLTXUMQNTOPPCR-MNOVXSKESA-N 2 2 261.329 -0.592 20 0 CBADLP CSC[C@@H](O)C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000600752566 355565089 /nfs/dbraw/zinc/56/50/89/355565089.db2.gz CTJZWCPBZAMIHX-QWRGUYRKSA-N 2 2 275.418 -0.360 20 0 CBADLP CSC[C@@H](O)C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000600752566 355565093 /nfs/dbraw/zinc/56/50/93/355565093.db2.gz CTJZWCPBZAMIHX-QWRGUYRKSA-N 2 2 275.418 -0.360 20 0 CBADLP C[NH+]1CCN(CC(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000600983368 355573390 /nfs/dbraw/zinc/57/33/90/355573390.db2.gz ZXPKSASPFAVINV-UHFFFAOYSA-N 2 2 298.431 -0.539 20 0 CBADLP C[NH+]1CCN(CC(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000600983368 355573394 /nfs/dbraw/zinc/57/33/94/355573394.db2.gz ZXPKSASPFAVINV-UHFFFAOYSA-N 2 2 298.431 -0.539 20 0 CBADLP COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1c[nH+]cn1C ZINC000601146880 355578232 /nfs/dbraw/zinc/57/82/32/355578232.db2.gz QUOYGMMOVXHXGF-IUCAKERBSA-N 2 2 268.317 -0.424 20 0 CBADLP COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](C)[NH+](C)C ZINC000602126107 355631868 /nfs/dbraw/zinc/63/18/68/355631868.db2.gz MBMJUKLUDSGAJC-WPRPVWTQSA-N 2 2 268.317 -0.440 20 0 CBADLP COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](C)[NH+](C)C ZINC000602126107 355631870 /nfs/dbraw/zinc/63/18/70/355631870.db2.gz MBMJUKLUDSGAJC-WPRPVWTQSA-N 2 2 268.317 -0.440 20 0 CBADLP CN1CC[C@H]([NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)C1=O ZINC000329392964 283116205 /nfs/dbraw/zinc/11/62/05/283116205.db2.gz UJNOHAGKKCHLGP-ZDUSSCGKSA-N 2 2 297.399 -0.624 20 0 CBADLP COC(=O)[C@H]1[C@@H](O)CCC[N@@H+]1CCc1c[nH+]cn1C ZINC000602816926 355673173 /nfs/dbraw/zinc/67/31/73/355673173.db2.gz VLKIDRKPPJTIMC-NWDGAFQWSA-N 2 2 267.329 -0.039 20 0 CBADLP COC(=O)[C@H]1[C@@H](O)CCC[N@H+]1CCc1c[nH+]cn1C ZINC000602816926 355673175 /nfs/dbraw/zinc/67/31/75/355673175.db2.gz VLKIDRKPPJTIMC-NWDGAFQWSA-N 2 2 267.329 -0.039 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000608008560 355754581 /nfs/dbraw/zinc/75/45/81/355754581.db2.gz PFCXLQUYRTZMML-ZIAGYGMSSA-N 2 2 297.399 -0.360 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000608008560 355754585 /nfs/dbraw/zinc/75/45/85/355754585.db2.gz PFCXLQUYRTZMML-ZIAGYGMSSA-N 2 2 297.399 -0.360 20 0 CBADLP Cn1cncc1C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000604418195 355725027 /nfs/dbraw/zinc/72/50/27/355725027.db2.gz LCSAJLWZNRXURC-CQSZACIVSA-N 2 2 293.415 -0.084 20 0 CBADLP COC(=O)CNC(=O)C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000611442654 355802306 /nfs/dbraw/zinc/80/23/06/355802306.db2.gz QDFCMQAVTRJYJK-UHFFFAOYSA-N 2 2 271.361 -0.262 20 0 CBADLP C[C@H](NC(=O)C1([NH+](C)C)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000612671348 355845934 /nfs/dbraw/zinc/84/59/34/355845934.db2.gz SCPHDIMKMAIKTF-WDEREUQCSA-N 2 2 255.362 -0.084 20 0 CBADLP C[C@H](NC(=O)C1([NH+](C)C)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000612671348 355845938 /nfs/dbraw/zinc/84/59/38/355845938.db2.gz SCPHDIMKMAIKTF-WDEREUQCSA-N 2 2 255.362 -0.084 20 0 CBADLP C[NH+](C)C1(C(=O)NC[C@H]2C[NH+]3CCN2CC3)CC1 ZINC000612747666 355849793 /nfs/dbraw/zinc/84/97/93/355849793.db2.gz NSLTWISMJMNENK-NSHDSACASA-N 2 2 252.362 -0.803 20 0 CBADLP CN1CC[N@H+](C)[C@H](CNC(=O)N[C@@H]2CC23CC[NH2+]CC3)C1 ZINC000612972002 355858664 /nfs/dbraw/zinc/85/86/64/355858664.db2.gz RFRAAMXDXJUWQI-CHWSQXEVSA-N 2 2 295.431 -0.327 20 0 CBADLP CN1CC[N@@H+](C)[C@H](CNC(=O)N[C@@H]2CC23CC[NH2+]CC3)C1 ZINC000612972002 355858666 /nfs/dbraw/zinc/85/86/66/355858666.db2.gz RFRAAMXDXJUWQI-CHWSQXEVSA-N 2 2 295.431 -0.327 20 0 CBADLP COC(=O)CN(CCC[NH3+])CC[NH+]1CCOCC1 ZINC000414693616 291078228 /nfs/dbraw/zinc/07/82/28/291078228.db2.gz MAQQJOSBANARNL-UHFFFAOYSA-N 2 2 259.350 -0.858 20 0 CBADLP C[NH+](C)C[C@@]1(O)CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000614063778 355932196 /nfs/dbraw/zinc/93/21/96/355932196.db2.gz HNHHUHNNJVDGTD-ZDUSSCGKSA-N 2 2 266.345 -0.202 20 0 CBADLP CC[N@H+](CCO)CCNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000613583910 355896577 /nfs/dbraw/zinc/89/65/77/355896577.db2.gz XOEFVDQOANNCTL-NSHDSACASA-N 2 2 280.372 -0.055 20 0 CBADLP CC[N@@H+](CCO)CCNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000613583910 355896581 /nfs/dbraw/zinc/89/65/81/355896581.db2.gz XOEFVDQOANNCTL-NSHDSACASA-N 2 2 280.372 -0.055 20 0 CBADLP CC[N@H+](CCO)CCNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000613583910 355896584 /nfs/dbraw/zinc/89/65/84/355896584.db2.gz XOEFVDQOANNCTL-NSHDSACASA-N 2 2 280.372 -0.055 20 0 CBADLP CC[N@@H+](CCO)CCNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000613583910 355896589 /nfs/dbraw/zinc/89/65/89/355896589.db2.gz XOEFVDQOANNCTL-NSHDSACASA-N 2 2 280.372 -0.055 20 0 CBADLP C[NH+](C)C[C@H](CO)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000614841665 355988136 /nfs/dbraw/zinc/98/81/36/355988136.db2.gz GCQJBROZPCUADU-WDEREUQCSA-N 2 2 266.345 -0.516 20 0 CBADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H](CO)C[NH+](C)C ZINC000614842889 355988269 /nfs/dbraw/zinc/98/82/69/355988269.db2.gz VHEVSXCCXGWLOM-HBNTYKKESA-N 2 2 266.345 -0.438 20 0 CBADLP C[NH+](C)C[C@@H](CO)NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000614842626 355988289 /nfs/dbraw/zinc/98/82/89/355988289.db2.gz QITUJHYULBDJNS-ZJUUUORDSA-N 2 2 266.345 -0.447 20 0 CBADLP C[NH+](C)C[C@@H](CO)NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000614842626 355988291 /nfs/dbraw/zinc/98/82/91/355988291.db2.gz QITUJHYULBDJNS-ZJUUUORDSA-N 2 2 266.345 -0.447 20 0 CBADLP C[NH+](C)C[C@@H](CO)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000614841662 355988489 /nfs/dbraw/zinc/98/84/89/355988489.db2.gz GCQJBROZPCUADU-QWRGUYRKSA-N 2 2 266.345 -0.516 20 0 CBADLP CCNC(=O)C[NH+](C)C/C=C/C[N@@H+](C)CC(=O)NCC ZINC000614344694 355952692 /nfs/dbraw/zinc/95/26/92/355952692.db2.gz DTDARNBVQOCAJZ-BQYQJAHWSA-N 2 2 284.404 -0.322 20 0 CBADLP CCNC(=O)C[NH+](C)C/C=C/C[N@H+](C)CC(=O)NCC ZINC000614344694 355952697 /nfs/dbraw/zinc/95/26/97/355952697.db2.gz DTDARNBVQOCAJZ-BQYQJAHWSA-N 2 2 284.404 -0.322 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[NH+]3CCN2CCC3)C1 ZINC000614507058 355965776 /nfs/dbraw/zinc/96/57/76/355965776.db2.gz LOTVDJJOYDCECI-KBPBESRZSA-N 2 2 296.415 -0.787 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[NH+]3CCN2CCC3)C1 ZINC000614507058 355965779 /nfs/dbraw/zinc/96/57/79/355965779.db2.gz LOTVDJJOYDCECI-KBPBESRZSA-N 2 2 296.415 -0.787 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000614507058 355965783 /nfs/dbraw/zinc/96/57/83/355965783.db2.gz LOTVDJJOYDCECI-KBPBESRZSA-N 2 2 296.415 -0.787 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)C1 ZINC000614507058 355965785 /nfs/dbraw/zinc/96/57/85/355965785.db2.gz LOTVDJJOYDCECI-KBPBESRZSA-N 2 2 296.415 -0.787 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+]3CCN2CCC3)C1 ZINC000614507061 355965949 /nfs/dbraw/zinc/96/59/49/355965949.db2.gz LOTVDJJOYDCECI-ZIAGYGMSSA-N 2 2 296.415 -0.787 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+]3CCN2CCC3)C1 ZINC000614507061 355965950 /nfs/dbraw/zinc/96/59/50/355965950.db2.gz LOTVDJJOYDCECI-ZIAGYGMSSA-N 2 2 296.415 -0.787 20 0 CBADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000614507061 355965951 /nfs/dbraw/zinc/96/59/51/355965951.db2.gz LOTVDJJOYDCECI-ZIAGYGMSSA-N 2 2 296.415 -0.787 20 0 CBADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)C1 ZINC000614507061 355965952 /nfs/dbraw/zinc/96/59/52/355965952.db2.gz LOTVDJJOYDCECI-ZIAGYGMSSA-N 2 2 296.415 -0.787 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC(C[NH+](C)C)C1 ZINC000615513030 356036996 /nfs/dbraw/zinc/03/69/96/356036996.db2.gz NFNOKUJSXBEKIN-UHFFFAOYSA-N 2 2 284.404 -0.537 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CC(C[NH+](C)C)C1 ZINC000615513030 356036998 /nfs/dbraw/zinc/03/69/98/356036998.db2.gz NFNOKUJSXBEKIN-UHFFFAOYSA-N 2 2 284.404 -0.537 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000615309295 356020396 /nfs/dbraw/zinc/02/03/96/356020396.db2.gz SNXJRASEPVTTHP-CHWSQXEVSA-N 2 2 298.431 -0.006 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000615309295 356020397 /nfs/dbraw/zinc/02/03/97/356020397.db2.gz SNXJRASEPVTTHP-CHWSQXEVSA-N 2 2 298.431 -0.006 20 0 CBADLP C[NH+](C)C1(C(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)CC1 ZINC000616550698 356097752 /nfs/dbraw/zinc/09/77/52/356097752.db2.gz XQFUFQVHCVWNFV-LLVKDONJSA-N 2 2 253.346 -0.642 20 0 CBADLP C[NH+](C)C1(C(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)CC1 ZINC000616550698 356097757 /nfs/dbraw/zinc/09/77/57/356097757.db2.gz XQFUFQVHCVWNFV-LLVKDONJSA-N 2 2 253.346 -0.642 20 0 CBADLP CN1C(=O)CC[C@@H]1CC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617761908 356155301 /nfs/dbraw/zinc/15/53/01/356155301.db2.gz CAHJXCSAPACEKS-CYBMUJFWSA-N 2 2 298.431 -0.003 20 0 CBADLP CN1C(=O)CC[C@@H]1CC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617761908 356155305 /nfs/dbraw/zinc/15/53/05/356155305.db2.gz CAHJXCSAPACEKS-CYBMUJFWSA-N 2 2 298.431 -0.003 20 0 CBADLP Cn1cccc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1=O ZINC000617766527 356156821 /nfs/dbraw/zinc/15/68/21/356156821.db2.gz NWFWAVMIBMJPQQ-UHFFFAOYSA-N 2 2 294.399 -0.001 20 0 CBADLP Cn1cccc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1=O ZINC000617766527 356156825 /nfs/dbraw/zinc/15/68/25/356156825.db2.gz NWFWAVMIBMJPQQ-UHFFFAOYSA-N 2 2 294.399 -0.001 20 0 CBADLP Cn1c(=O)cccc1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617765584 356156874 /nfs/dbraw/zinc/15/68/74/356156874.db2.gz HWDFIRXPCHJSKY-UHFFFAOYSA-N 2 2 294.399 -0.001 20 0 CBADLP Cn1c(=O)cccc1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617765584 356156877 /nfs/dbraw/zinc/15/68/77/356156877.db2.gz HWDFIRXPCHJSKY-UHFFFAOYSA-N 2 2 294.399 -0.001 20 0 CBADLP CC(=O)N[C@@H](C)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617768899 356156935 /nfs/dbraw/zinc/15/69/35/356156935.db2.gz YICJVSCPMHTPDT-NSHDSACASA-N 2 2 272.393 -0.489 20 0 CBADLP CC(=O)N[C@@H](C)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617768899 356156941 /nfs/dbraw/zinc/15/69/41/356156941.db2.gz YICJVSCPMHTPDT-NSHDSACASA-N 2 2 272.393 -0.489 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@]1(O)CCSC1 ZINC000617765898 356157030 /nfs/dbraw/zinc/15/70/30/356157030.db2.gz VHCBGHHYSZOMBP-ZDUSSCGKSA-N 2 2 289.445 -0.146 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@]1(O)CCSC1 ZINC000617765898 356157032 /nfs/dbraw/zinc/15/70/32/356157032.db2.gz VHCBGHHYSZOMBP-ZDUSSCGKSA-N 2 2 289.445 -0.146 20 0 CBADLP CC(C)[NH2+]CC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000621242011 356259786 /nfs/dbraw/zinc/25/97/86/356259786.db2.gz QZMURLNLVCWBRD-LBPRGKRZSA-N 2 2 296.415 -0.204 20 0 CBADLP CNS(=O)(=O)CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000621263503 356261049 /nfs/dbraw/zinc/26/10/49/356261049.db2.gz VMSSCAONVVSXSW-NEPJUHHUSA-N 2 2 275.418 -0.048 20 0 CBADLP CNS(=O)(=O)CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000621263503 356261058 /nfs/dbraw/zinc/26/10/58/356261058.db2.gz VMSSCAONVVSXSW-NEPJUHHUSA-N 2 2 275.418 -0.048 20 0 CBADLP CNS(=O)(=O)CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000621263503 356261063 /nfs/dbraw/zinc/26/10/63/356261063.db2.gz VMSSCAONVVSXSW-NEPJUHHUSA-N 2 2 275.418 -0.048 20 0 CBADLP CNS(=O)(=O)CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000621263503 356261068 /nfs/dbraw/zinc/26/10/68/356261068.db2.gz VMSSCAONVVSXSW-NEPJUHHUSA-N 2 2 275.418 -0.048 20 0 CBADLP CNS(=O)(=O)CC[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000621270584 356263169 /nfs/dbraw/zinc/26/31/69/356263169.db2.gz DFEKJFRXQXBXQY-UHFFFAOYSA-N 2 2 292.449 -0.895 20 0 CBADLP CNS(=O)(=O)CC[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000621270584 356263173 /nfs/dbraw/zinc/26/31/73/356263173.db2.gz DFEKJFRXQXBXQY-UHFFFAOYSA-N 2 2 292.449 -0.895 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621680894 356280047 /nfs/dbraw/zinc/28/00/47/356280047.db2.gz JZSTXZQDSNGDFF-NTZNESFSSA-N 3 2 254.378 -0.395 20 0 CBADLP C[C@@H]1[C@H](C)N(C(=O)C[NH+](C)C)CCN1C(=O)C[NH+](C)C ZINC000620748097 356248791 /nfs/dbraw/zinc/24/87/91/356248791.db2.gz XHDRUHPQPBKOBV-TXEJJXNPSA-N 2 2 284.404 -0.443 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000622631687 356329587 /nfs/dbraw/zinc/32/95/87/356329587.db2.gz SQKRLJUQXJKDPR-GFCCVEGCSA-N 2 2 280.372 -0.074 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000622631687 356329591 /nfs/dbraw/zinc/32/95/91/356329591.db2.gz SQKRLJUQXJKDPR-GFCCVEGCSA-N 2 2 280.372 -0.074 20 0 CBADLP CCn1cc(CC[N@H+](CC[NH3+])C[C@H](O)CO)cn1 ZINC000621776104 356283445 /nfs/dbraw/zinc/28/34/45/356283445.db2.gz CEHIQQTYZJDFNT-LBPRGKRZSA-N 2 2 256.350 -0.941 20 0 CBADLP CCn1cc(CC[N@@H+](CC[NH3+])C[C@H](O)CO)cn1 ZINC000621776104 356283448 /nfs/dbraw/zinc/28/34/48/356283448.db2.gz CEHIQQTYZJDFNT-LBPRGKRZSA-N 2 2 256.350 -0.941 20 0 CBADLP CCn1nccc1CC[N@H+](CC[NH3+])C[C@H](O)CO ZINC000621776790 356283618 /nfs/dbraw/zinc/28/36/18/356283618.db2.gz WMLJLRPWWITCKQ-LBPRGKRZSA-N 2 2 256.350 -0.941 20 0 CBADLP CCn1nccc1CC[N@@H+](CC[NH3+])C[C@H](O)CO ZINC000621776790 356283622 /nfs/dbraw/zinc/28/36/22/356283622.db2.gz WMLJLRPWWITCKQ-LBPRGKRZSA-N 2 2 256.350 -0.941 20 0 CBADLP [NH3+][C@]12CCC[C@H]1C[N@H+](CCC(=O)N1CC[NH2+]CC1)C2 ZINC000621784307 356284478 /nfs/dbraw/zinc/28/44/78/356284478.db2.gz MTNPEGMWXYHPTC-JSGCOSHPSA-N 3 2 266.389 -0.379 20 0 CBADLP [NH3+][C@]12CCC[C@H]1C[N@@H+](CCC(=O)N1CC[NH2+]CC1)C2 ZINC000621784307 356284480 /nfs/dbraw/zinc/28/44/80/356284480.db2.gz MTNPEGMWXYHPTC-JSGCOSHPSA-N 3 2 266.389 -0.379 20 0 CBADLP [NH3+][C@@]12CCC[C@@H]1C[N@H+](CCN1C(=O)CNC1=O)C2 ZINC000621780465 356284495 /nfs/dbraw/zinc/28/44/95/356284495.db2.gz RTVFOSJMOOWFMD-BXKDBHETSA-N 2 2 252.318 -0.649 20 0 CBADLP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](CCN1C(=O)CNC1=O)C2 ZINC000621780465 356284497 /nfs/dbraw/zinc/28/44/97/356284497.db2.gz RTVFOSJMOOWFMD-BXKDBHETSA-N 2 2 252.318 -0.649 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000622024069 356300333 /nfs/dbraw/zinc/30/03/33/356300333.db2.gz LASKUSOUWBHWPA-WFASDCNBSA-N 2 2 294.399 -0.510 20 0 CBADLP COCC[NH+]1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC000622369204 356317375 /nfs/dbraw/zinc/31/73/75/356317375.db2.gz BCXYUPYWHHTIRI-UHFFFAOYSA-N 2 2 266.345 -0.247 20 0 CBADLP C[NH+]1CCOC[C@H]1CNC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000623717229 356371730 /nfs/dbraw/zinc/37/17/30/356371730.db2.gz QKQFIYCEZOVFKU-VXGBXAGGSA-N 2 2 270.377 -0.290 20 0 CBADLP C[NH+]1CCOC[C@H]1CNC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000623717229 356371732 /nfs/dbraw/zinc/37/17/32/356371732.db2.gz QKQFIYCEZOVFKU-VXGBXAGGSA-N 2 2 270.377 -0.290 20 0 CBADLP C[NH+]1CCC[C@@H](NC(=O)NC[C@@H]2COCC[N@@H+]2C)C1 ZINC000623717229 356371734 /nfs/dbraw/zinc/37/17/34/356371734.db2.gz QKQFIYCEZOVFKU-VXGBXAGGSA-N 2 2 270.377 -0.290 20 0 CBADLP C[NH+]1CCC[C@@H](NC(=O)NC[C@@H]2COCC[N@H+]2C)C1 ZINC000623717229 356371735 /nfs/dbraw/zinc/37/17/35/356371735.db2.gz QKQFIYCEZOVFKU-VXGBXAGGSA-N 2 2 270.377 -0.290 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000623719417 356372742 /nfs/dbraw/zinc/37/27/42/356372742.db2.gz UFJYTKMRNVSGRF-WCQYABFASA-N 2 2 282.388 -0.147 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000623719417 356372747 /nfs/dbraw/zinc/37/27/47/356372747.db2.gz UFJYTKMRNVSGRF-WCQYABFASA-N 2 2 282.388 -0.147 20 0 CBADLP C[NH+]1CCOC[C@H]1CNC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000623719417 356372750 /nfs/dbraw/zinc/37/27/50/356372750.db2.gz UFJYTKMRNVSGRF-WCQYABFASA-N 2 2 282.388 -0.147 20 0 CBADLP C[NH+]1CCOC[C@H]1CNC(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000623719417 356372752 /nfs/dbraw/zinc/37/27/52/356372752.db2.gz UFJYTKMRNVSGRF-WCQYABFASA-N 2 2 282.388 -0.147 20 0 CBADLP Cc1[nH+]ccn1CCNC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000623723372 356373161 /nfs/dbraw/zinc/37/31/61/356373161.db2.gz NLIBETYKRXPPSN-GFCCVEGCSA-N 2 2 281.360 -0.179 20 0 CBADLP Cc1[nH+]ccn1CCNC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000623723372 356373164 /nfs/dbraw/zinc/37/31/64/356373164.db2.gz NLIBETYKRXPPSN-GFCCVEGCSA-N 2 2 281.360 -0.179 20 0 CBADLP CN(C)C(=O)N1CCC([NH2+]CC[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000623758978 356374451 /nfs/dbraw/zinc/37/44/51/356374451.db2.gz VDFZHAQYJMOHHE-CYBMUJFWSA-N 2 2 284.404 -0.211 20 0 CBADLP CN(C)C(=O)N1CCC([NH2+]CC[N@H+]2CC[C@@H](O)C2)CC1 ZINC000623758978 356374452 /nfs/dbraw/zinc/37/44/52/356374452.db2.gz VDFZHAQYJMOHHE-CYBMUJFWSA-N 2 2 284.404 -0.211 20 0 CBADLP Nc1nc(N2CC[NH+](Cc3ccccn3)CC2)nc(N)[nH+]1 ZINC000623819262 356377111 /nfs/dbraw/zinc/37/71/11/356377111.db2.gz VMMCYIQTLBSKMR-UHFFFAOYSA-N 2 2 286.343 -0.586 20 0 CBADLP Nc1nc(Nc2ccc(N3CCCC3)[nH+]c2)nc(N)[nH+]1 ZINC000623830995 356378574 /nfs/dbraw/zinc/37/85/74/356378574.db2.gz MUNGTMIZJXNLHK-UHFFFAOYSA-N 2 2 272.316 -0.143 20 0 CBADLP CN(C[C@@H]1CCC[N@H+](C)C1)c1nc(N)nc(N)[nH+]1 ZINC000623974423 356385080 /nfs/dbraw/zinc/38/50/80/356385080.db2.gz DYZDJYBXGASOJX-MRVPVSSYSA-N 2 2 251.338 -0.525 20 0 CBADLP CN(C[C@@H]1CCC[N@@H+](C)C1)c1nc(N)nc(N)[nH+]1 ZINC000623974423 356385081 /nfs/dbraw/zinc/38/50/81/356385081.db2.gz DYZDJYBXGASOJX-MRVPVSSYSA-N 2 2 251.338 -0.525 20 0 CBADLP Nc1nc(N2CCCC[C@@H]2C[NH+]2CCOCC2)nc(N)[nH+]1 ZINC000623961148 356385336 /nfs/dbraw/zinc/38/53/36/356385336.db2.gz UFKAGAWRWOVABB-SNVBAGLBSA-N 2 2 293.375 -0.612 20 0 CBADLP CC(C)[C@@H]1C[N@H+](C)CCN1c1nc(N)[nH+]c(N)n1 ZINC000623986363 356387318 /nfs/dbraw/zinc/38/73/18/356387318.db2.gz UNGGTFXEFANGGW-QMMMGPOBSA-N 2 2 251.338 -0.527 20 0 CBADLP CC(C)[C@@H]1C[N@@H+](C)CCN1c1nc(N)[nH+]c(N)n1 ZINC000623986363 356387322 /nfs/dbraw/zinc/38/73/22/356387322.db2.gz UNGGTFXEFANGGW-QMMMGPOBSA-N 2 2 251.338 -0.527 20 0 CBADLP CC(C)OCC[NH+]1CCN(c2nc(N)[nH+]c(N)n2)CC1 ZINC000624011894 356389838 /nfs/dbraw/zinc/38/98/38/356389838.db2.gz LLZGSRPJGSWOOL-UHFFFAOYSA-N 2 2 281.364 -0.756 20 0 CBADLP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)c1nc(N)nc(N)[nH+]1 ZINC000624024284 356390814 /nfs/dbraw/zinc/39/08/14/356390814.db2.gz CENMGEMHCIFOAI-HTQZYQBOSA-N 2 2 251.338 -0.527 20 0 CBADLP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)c1nc(N)nc(N)[nH+]1 ZINC000624024284 356390817 /nfs/dbraw/zinc/39/08/17/356390817.db2.gz CENMGEMHCIFOAI-HTQZYQBOSA-N 2 2 251.338 -0.527 20 0 CBADLP C[N@@H+]1CCC[C@@]2(CCN(c3nc(N)nc(N)[nH+]3)C2)C1 ZINC000624245435 356405782 /nfs/dbraw/zinc/40/57/82/356405782.db2.gz DFOCBZXKKNZBNT-GFCCVEGCSA-N 2 2 263.349 -0.381 20 0 CBADLP C[N@H+]1CCC[C@@]2(CCN(c3nc(N)nc(N)[nH+]3)C2)C1 ZINC000624245435 356405786 /nfs/dbraw/zinc/40/57/86/356405786.db2.gz DFOCBZXKKNZBNT-GFCCVEGCSA-N 2 2 263.349 -0.381 20 0 CBADLP Cn1cc(CC[NH+]2CCN(C(=O)C[NH+](C)C)CC2)nn1 ZINC000625080952 356446239 /nfs/dbraw/zinc/44/62/39/356446239.db2.gz ICDWMMLCJLAJNA-UHFFFAOYSA-N 2 2 280.376 -0.937 20 0 CBADLP NS(=O)(=O)CCC[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000625548360 356473574 /nfs/dbraw/zinc/47/35/74/356473574.db2.gz CJHBTPPOHYWZIX-UHFFFAOYSA-N 2 2 291.417 -0.538 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000625898785 356496605 /nfs/dbraw/zinc/49/66/05/356496605.db2.gz BRCLRBXOIHPKSK-SFYZADRCSA-N 2 2 284.282 -0.494 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000625898785 356496608 /nfs/dbraw/zinc/49/66/08/356496608.db2.gz BRCLRBXOIHPKSK-SFYZADRCSA-N 2 2 284.282 -0.494 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000625898783 356496846 /nfs/dbraw/zinc/49/68/46/356496846.db2.gz BRCLRBXOIHPKSK-HTQZYQBOSA-N 2 2 284.282 -0.494 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000625898783 356496850 /nfs/dbraw/zinc/49/68/50/356496850.db2.gz BRCLRBXOIHPKSK-HTQZYQBOSA-N 2 2 284.282 -0.494 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000626139954 356513609 /nfs/dbraw/zinc/51/36/09/356513609.db2.gz GTDRRAFJYFGZBV-REWJHTLYSA-N 2 2 272.389 -0.229 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000626139954 356513614 /nfs/dbraw/zinc/51/36/14/356513614.db2.gz GTDRRAFJYFGZBV-REWJHTLYSA-N 2 2 272.389 -0.229 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000626139954 356513620 /nfs/dbraw/zinc/51/36/20/356513620.db2.gz GTDRRAFJYFGZBV-REWJHTLYSA-N 2 2 272.389 -0.229 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000626139954 356513624 /nfs/dbraw/zinc/51/36/24/356513624.db2.gz GTDRRAFJYFGZBV-REWJHTLYSA-N 2 2 272.389 -0.229 20 0 CBADLP NC(=O)C[C@@H]1C[N@H+](CCCn2cc[nH+]c2)CCO1 ZINC000626077801 356507558 /nfs/dbraw/zinc/50/75/58/356507558.db2.gz QUUCNUASHBDYKU-LLVKDONJSA-N 2 2 252.318 -0.151 20 0 CBADLP NC(=O)C[C@@H]1C[N@@H+](CCCn2cc[nH+]c2)CCO1 ZINC000626077801 356507561 /nfs/dbraw/zinc/50/75/61/356507561.db2.gz QUUCNUASHBDYKU-LLVKDONJSA-N 2 2 252.318 -0.151 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N(C)CCOCC[NH3+] ZINC000626934538 356557156 /nfs/dbraw/zinc/55/71/56/356557156.db2.gz HQVLRWPXCSXYRN-LBPRGKRZSA-N 2 2 288.392 -0.676 20 0 CBADLP C[NH2+]CCOCCNC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000626940393 356558144 /nfs/dbraw/zinc/55/81/44/356558144.db2.gz YIVFKYVJHVPSDF-LLVKDONJSA-N 2 2 269.349 -0.193 20 0 CBADLP CCN(CC[NH3+])C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000626971112 356562047 /nfs/dbraw/zinc/56/20/47/356562047.db2.gz YMPVISSFDAUOBG-LLVKDONJSA-N 2 2 258.366 -0.303 20 0 CBADLP CCN(CC[NH3+])C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000626971112 356562052 /nfs/dbraw/zinc/56/20/52/356562052.db2.gz YMPVISSFDAUOBG-LLVKDONJSA-N 2 2 258.366 -0.303 20 0 CBADLP [NH3+]CCCOCCNC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000627040263 356569018 /nfs/dbraw/zinc/56/90/18/356569018.db2.gz FSEPRCCLCSEVOE-JTQLQIEISA-N 2 2 281.360 -0.068 20 0 CBADLP [NH3+]CCCOCCNC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000627040263 356569019 /nfs/dbraw/zinc/56/90/19/356569019.db2.gz FSEPRCCLCSEVOE-JTQLQIEISA-N 2 2 281.360 -0.068 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000627067714 356572467 /nfs/dbraw/zinc/57/24/67/356572467.db2.gz DBOPIXPZNYVERV-VXGBXAGGSA-N 2 2 270.377 -0.384 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000627067714 356572471 /nfs/dbraw/zinc/57/24/71/356572471.db2.gz DBOPIXPZNYVERV-VXGBXAGGSA-N 2 2 270.377 -0.384 20 0 CBADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000627086191 356579182 /nfs/dbraw/zinc/57/91/82/356579182.db2.gz JZGGUOOICAYXHH-WOPDTQHZSA-N 2 2 270.377 -0.386 20 0 CBADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC[C@H]1COCC[N@H+]1C ZINC000627086191 356579184 /nfs/dbraw/zinc/57/91/84/356579184.db2.gz JZGGUOOICAYXHH-WOPDTQHZSA-N 2 2 270.377 -0.386 20 0 CBADLP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000627087191 356579975 /nfs/dbraw/zinc/57/99/75/356579975.db2.gz HPTXHRPXCQCONC-UTUOFQBUSA-N 2 2 270.377 -0.386 20 0 CBADLP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000627087191 356579977 /nfs/dbraw/zinc/57/99/77/356579977.db2.gz HPTXHRPXCQCONC-UTUOFQBUSA-N 2 2 270.377 -0.386 20 0 CBADLP C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)CC[N@@H+]1CCO ZINC000328844905 202081755 /nfs/dbraw/zinc/08/17/55/202081755.db2.gz QCHWMSWNMOGKAL-GFCCVEGCSA-N 2 2 280.372 -0.122 20 0 CBADLP C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)CC[N@H+]1CCO ZINC000328844905 202081757 /nfs/dbraw/zinc/08/17/57/202081757.db2.gz QCHWMSWNMOGKAL-GFCCVEGCSA-N 2 2 280.372 -0.122 20 0 CBADLP C[C@@H]1[NH2+]CCN(C(=O)NC[C@H]2COCC[N@@H+]2C)[C@H]1C ZINC000627182665 356595450 /nfs/dbraw/zinc/59/54/50/356595450.db2.gz BNAYDCBYAZWBBS-SRVKXCTJSA-N 2 2 270.377 -0.291 20 0 CBADLP C[C@@H]1[NH2+]CCN(C(=O)NC[C@H]2COCC[N@H+]2C)[C@H]1C ZINC000627182665 356595453 /nfs/dbraw/zinc/59/54/53/356595453.db2.gz BNAYDCBYAZWBBS-SRVKXCTJSA-N 2 2 270.377 -0.291 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)NC1(C)CC[NH2+]CC1 ZINC000627183710 356595866 /nfs/dbraw/zinc/59/58/66/356595866.db2.gz MJJKGSNNJCLQBP-NSHDSACASA-N 2 2 270.377 -0.242 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)NC1(C)CC[NH2+]CC1 ZINC000627183710 356595868 /nfs/dbraw/zinc/59/58/68/356595868.db2.gz MJJKGSNNJCLQBP-NSHDSACASA-N 2 2 270.377 -0.242 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000627183279 356596004 /nfs/dbraw/zinc/59/60/04/356596004.db2.gz JJDAKWXJBAVIHY-AGIUHOORSA-N 2 2 282.388 -0.290 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000627183279 356596008 /nfs/dbraw/zinc/59/60/08/356596008.db2.gz JJDAKWXJBAVIHY-AGIUHOORSA-N 2 2 282.388 -0.290 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000627183236 356596718 /nfs/dbraw/zinc/59/67/18/356596718.db2.gz INFNBPSGUBPQFD-AAEUAGOBSA-N 2 2 270.377 -0.303 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000627183236 356596720 /nfs/dbraw/zinc/59/67/20/356596720.db2.gz INFNBPSGUBPQFD-AAEUAGOBSA-N 2 2 270.377 -0.303 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000627183444 356596803 /nfs/dbraw/zinc/59/68/03/356596803.db2.gz KGYPTZCIXXZALJ-GXTWGEPZSA-N 2 2 282.388 -0.288 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000627183444 356596804 /nfs/dbraw/zinc/59/68/04/356596804.db2.gz KGYPTZCIXXZALJ-GXTWGEPZSA-N 2 2 282.388 -0.288 20 0 CBADLP C[C@@H]1CCN(C(=O)NC[C@@H]2COCC[N@@H+]2C)C[C@@H]1C[NH3+] ZINC000627182757 356596815 /nfs/dbraw/zinc/59/68/15/356596815.db2.gz KAKRUEXAUMDJBZ-FRRDWIJNSA-N 2 2 284.404 -0.057 20 0 CBADLP C[C@@H]1CCN(C(=O)NC[C@@H]2COCC[N@H+]2C)C[C@@H]1C[NH3+] ZINC000627182757 356596816 /nfs/dbraw/zinc/59/68/16/356596816.db2.gz KAKRUEXAUMDJBZ-FRRDWIJNSA-N 2 2 284.404 -0.057 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)N1CCC[NH2+]CC1 ZINC000627184424 356597537 /nfs/dbraw/zinc/59/75/37/356597537.db2.gz XRFDGZGAOYWYCC-LLVKDONJSA-N 2 2 256.350 -0.678 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)N1CCC[NH2+]CC1 ZINC000627184424 356597539 /nfs/dbraw/zinc/59/75/39/356597539.db2.gz XRFDGZGAOYWYCC-LLVKDONJSA-N 2 2 256.350 -0.678 20 0 CBADLP C[NH2+]C[C@@H]1CCCN(C(=O)NC[C@H]2COCC[N@@H+]2C)C1 ZINC000627184343 356597561 /nfs/dbraw/zinc/59/75/61/356597561.db2.gz VQYGKJDVEAZRCP-STQMWFEESA-N 2 2 284.404 -0.042 20 0 CBADLP C[NH2+]C[C@@H]1CCCN(C(=O)NC[C@H]2COCC[N@H+]2C)C1 ZINC000627184343 356597564 /nfs/dbraw/zinc/59/75/64/356597564.db2.gz VQYGKJDVEAZRCP-STQMWFEESA-N 2 2 284.404 -0.042 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000627184160 356597816 /nfs/dbraw/zinc/59/78/16/356597816.db2.gz RZQHZAZDQLIRSC-AGIUHOORSA-N 2 2 282.388 -0.147 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000627184160 356597819 /nfs/dbraw/zinc/59/78/19/356597819.db2.gz RZQHZAZDQLIRSC-AGIUHOORSA-N 2 2 282.388 -0.147 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000627184208 356597871 /nfs/dbraw/zinc/59/78/71/356597871.db2.gz UHXKEHWBRAWSIJ-AVGNSLFASA-N 2 2 282.388 -0.290 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000627184208 356597874 /nfs/dbraw/zinc/59/78/74/356597874.db2.gz UHXKEHWBRAWSIJ-AVGNSLFASA-N 2 2 282.388 -0.290 20 0 CBADLP O=C(NC[C@@H]1COCC[NH2+]1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000627191543 356601995 /nfs/dbraw/zinc/60/19/95/356601995.db2.gz SHOHIBGABWASIA-CHWSQXEVSA-N 2 2 298.387 -0.909 20 0 CBADLP C[C@@H]1CC[C@H](NC(=O)C(=O)NCCn2cc[nH+]c2)C[NH2+]1 ZINC000627299788 356622365 /nfs/dbraw/zinc/62/23/65/356622365.db2.gz FGYQPJCRZKLHGI-MNOVXSKESA-N 2 2 279.344 -0.744 20 0 CBADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCc1[nH+]ccn1C ZINC000627379374 356636383 /nfs/dbraw/zinc/63/63/83/356636383.db2.gz KJHYCEPGRFWRML-NSHDSACASA-N 2 2 293.371 -0.507 20 0 CBADLP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000627504957 356660306 /nfs/dbraw/zinc/66/03/06/356660306.db2.gz OSVMRCPDGHAPAY-LLVKDONJSA-N 2 2 291.355 -0.406 20 0 CBADLP Cc1cn2c([nH+]1)CN(C(=O)C(=O)N[C@@H]1CC[NH2+]C1)CC2 ZINC000627507189 356661609 /nfs/dbraw/zinc/66/16/09/356661609.db2.gz GEGPMWBLZSYEEJ-SNVBAGLBSA-N 2 2 277.328 -0.988 20 0 CBADLP CC[N@@H+]1CCOC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000627653612 356668399 /nfs/dbraw/zinc/66/83/99/356668399.db2.gz UXLKJVLOUSVGPI-XQHKEYJVSA-N 2 2 267.373 -0.275 20 0 CBADLP CC[N@H+]1CCOC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000627653612 356668400 /nfs/dbraw/zinc/66/84/00/356668400.db2.gz UXLKJVLOUSVGPI-XQHKEYJVSA-N 2 2 267.373 -0.275 20 0 CBADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2COCC[NH+]2C)CC[N@@H+]1C ZINC000628912222 356736724 /nfs/dbraw/zinc/73/67/24/356736724.db2.gz FYMZTAVSXFWUCG-IJLUTSLNSA-N 2 2 255.362 -0.227 20 0 CBADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2COCC[NH+]2C)CC[N@H+]1C ZINC000628912222 356736726 /nfs/dbraw/zinc/73/67/26/356736726.db2.gz FYMZTAVSXFWUCG-IJLUTSLNSA-N 2 2 255.362 -0.227 20 0 CBADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2COCC[N@@H+]2C)CC[NH+]1C ZINC000628912222 356736728 /nfs/dbraw/zinc/73/67/28/356736728.db2.gz FYMZTAVSXFWUCG-IJLUTSLNSA-N 2 2 255.362 -0.227 20 0 CBADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2COCC[N@H+]2C)CC[NH+]1C ZINC000628912222 356736730 /nfs/dbraw/zinc/73/67/30/356736730.db2.gz FYMZTAVSXFWUCG-IJLUTSLNSA-N 2 2 255.362 -0.227 20 0 CBADLP C[NH+]1CCC(C(=O)NC[C@@H]2COCC[N@@H+]2C)CC1 ZINC000628920606 356741880 /nfs/dbraw/zinc/74/18/80/356741880.db2.gz ZPTFUBKOYHBDFA-GFCCVEGCSA-N 2 2 255.362 -0.225 20 0 CBADLP C[NH+]1CCC(C(=O)NC[C@@H]2COCC[N@H+]2C)CC1 ZINC000628920606 356741881 /nfs/dbraw/zinc/74/18/81/356741881.db2.gz ZPTFUBKOYHBDFA-GFCCVEGCSA-N 2 2 255.362 -0.225 20 0 CBADLP [NH3+]CCCOCC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000629539377 356777366 /nfs/dbraw/zinc/77/73/66/356777366.db2.gz QMWFTHGONAGPMW-CHWSQXEVSA-N 3 2 257.378 -0.292 20 0 CBADLP O[C@@H]1CC[N@H+](CCN[C@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000629544599 356778157 /nfs/dbraw/zinc/77/81/57/356778157.db2.gz JOJGZDXIFJEZNL-HZSPNIEDSA-N 2 2 269.389 -0.590 20 0 CBADLP O[C@@H]1CC[N@@H+](CCN[C@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000629544599 356778160 /nfs/dbraw/zinc/77/81/60/356778160.db2.gz JOJGZDXIFJEZNL-HZSPNIEDSA-N 2 2 269.389 -0.590 20 0 CBADLP O[C@@H]1CCN(CC[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000629544599 356778164 /nfs/dbraw/zinc/77/81/64/356778164.db2.gz JOJGZDXIFJEZNL-HZSPNIEDSA-N 2 2 269.389 -0.590 20 0 CBADLP C[C@@H](C[C@H]1COCC[NH2+]1)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000629548786 356778772 /nfs/dbraw/zinc/77/87/72/356778772.db2.gz YJDWYPYQFZWULF-RWMBFGLXSA-N 2 2 257.378 -0.590 20 0 CBADLP C[C@@H](C[C@H]1COCC[NH2+]1)NCC[N@H+]1CC[C@@H](O)C1 ZINC000629548786 356778775 /nfs/dbraw/zinc/77/87/75/356778775.db2.gz YJDWYPYQFZWULF-RWMBFGLXSA-N 2 2 257.378 -0.590 20 0 CBADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCN1CC[C@@H](O)C1 ZINC000629548786 356778778 /nfs/dbraw/zinc/77/87/78/356778778.db2.gz YJDWYPYQFZWULF-RWMBFGLXSA-N 2 2 257.378 -0.590 20 0 CBADLP C[C@H](C[C@H]1COCC[NH2+]1)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000629548784 356778791 /nfs/dbraw/zinc/77/87/91/356778791.db2.gz YJDWYPYQFZWULF-FRRDWIJNSA-N 2 2 257.378 -0.590 20 0 CBADLP C[C@H](C[C@H]1COCC[NH2+]1)NCC[N@H+]1CC[C@@H](O)C1 ZINC000629548784 356778794 /nfs/dbraw/zinc/77/87/94/356778794.db2.gz YJDWYPYQFZWULF-FRRDWIJNSA-N 2 2 257.378 -0.590 20 0 CBADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCN1CC[C@@H](O)C1 ZINC000629548784 356778796 /nfs/dbraw/zinc/77/87/96/356778796.db2.gz YJDWYPYQFZWULF-FRRDWIJNSA-N 2 2 257.378 -0.590 20 0 CBADLP C[C@@H](C[C@@H]1COCC[NH2+]1)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000629548787 356778964 /nfs/dbraw/zinc/77/89/64/356778964.db2.gz YJDWYPYQFZWULF-YNEHKIRRSA-N 2 2 257.378 -0.590 20 0 CBADLP C[C@@H](C[C@@H]1COCC[NH2+]1)NCC[N@H+]1CC[C@@H](O)C1 ZINC000629548787 356778966 /nfs/dbraw/zinc/77/89/66/356778966.db2.gz YJDWYPYQFZWULF-YNEHKIRRSA-N 2 2 257.378 -0.590 20 0 CBADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCN1CC[C@@H](O)C1 ZINC000629548787 356778970 /nfs/dbraw/zinc/77/89/70/356778970.db2.gz YJDWYPYQFZWULF-YNEHKIRRSA-N 2 2 257.378 -0.590 20 0 CBADLP C[NH+]1CCN(C(=O)CC[NH2+]C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000629566338 356780504 /nfs/dbraw/zinc/78/05/04/356780504.db2.gz YXCSVJSWLUWUII-AWEZNQCLSA-N 3 2 298.431 -0.803 20 0 CBADLP CCn1nnc(C)c1C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000629510627 356774691 /nfs/dbraw/zinc/77/46/91/356774691.db2.gz IIGBXRRDOIPALY-UHFFFAOYSA-N 2 2 266.393 -0.057 20 0 CBADLP CCn1nnc(C)c1C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000629510627 356774692 /nfs/dbraw/zinc/77/46/92/356774692.db2.gz IIGBXRRDOIPALY-UHFFFAOYSA-N 2 2 266.393 -0.057 20 0 CBADLP C[N@H+](CC(=O)NCC(C)(C)C)CC(=O)N1CC[NH2+]CC1 ZINC000629508369 356774720 /nfs/dbraw/zinc/77/47/20/356774720.db2.gz SEGRSDKUOQTRCX-UHFFFAOYSA-N 2 2 284.404 -0.488 20 0 CBADLP C[N@@H+](CC(=O)NCC(C)(C)C)CC(=O)N1CC[NH2+]CC1 ZINC000629508369 356774721 /nfs/dbraw/zinc/77/47/21/356774721.db2.gz SEGRSDKUOQTRCX-UHFFFAOYSA-N 2 2 284.404 -0.488 20 0 CBADLP CS(=O)(=O)NC[C@H]1COCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000629506393 356774833 /nfs/dbraw/zinc/77/48/33/356774833.db2.gz XPPBCZJXXSMRAF-LBPRGKRZSA-N 2 2 291.417 -0.764 20 0 CBADLP CS(=O)(=O)NC[C@H]1COCC[N@H+]1CC1CC[NH2+]CC1 ZINC000629506393 356774834 /nfs/dbraw/zinc/77/48/34/356774834.db2.gz XPPBCZJXXSMRAF-LBPRGKRZSA-N 2 2 291.417 -0.764 20 0 CBADLP c1nnc2ccc(N3CC[C@@H]([NH2+][C@H]4CC[NH2+]C4)C3)nn12 ZINC000629525456 356776187 /nfs/dbraw/zinc/77/61/87/356776187.db2.gz ZGUFTLMUTZXFGV-WDEREUQCSA-N 2 2 273.344 -0.346 20 0 CBADLP O[C@H](C[NH2+]CCN1CC[C@H](O)C1)C[NH+]1CCCC1 ZINC000629617567 356788127 /nfs/dbraw/zinc/78/81/27/356788127.db2.gz MHMUBMLGJGHFEO-QWHCGFSZSA-N 2 2 257.378 -0.901 20 0 CBADLP O[C@@H](C[NH2+]CCN1CC[C@H](O)C1)C[NH+]1CCCC1 ZINC000629617568 356788299 /nfs/dbraw/zinc/78/82/99/356788299.db2.gz MHMUBMLGJGHFEO-STQMWFEESA-N 2 2 257.378 -0.901 20 0 CBADLP CNS(=O)(=O)C[C@H]1CCC[N@H+](CC(C)(C)[NH3+])C1 ZINC000629674030 356788992 /nfs/dbraw/zinc/78/89/92/356788992.db2.gz WBPRIKWOTSKIBZ-JTQLQIEISA-N 2 2 263.407 -0.015 20 0 CBADLP CNS(=O)(=O)C[C@H]1CCC[N@@H+](CC(C)(C)[NH3+])C1 ZINC000629674030 356788994 /nfs/dbraw/zinc/78/89/94/356788994.db2.gz WBPRIKWOTSKIBZ-JTQLQIEISA-N 2 2 263.407 -0.015 20 0 CBADLP C[C@]1(C[NH2+]Cc2cn([C@H]3CC[NH2+]C3)nn2)CC[NH2+]C1 ZINC000629668393 356789315 /nfs/dbraw/zinc/78/93/15/356789315.db2.gz UAZKXKNWXHVXJU-STQMWFEESA-N 3 2 264.377 -0.098 20 0 CBADLP C[N@H+](CCOCC[NH3+])CCS(=O)(=O)c1ccccn1 ZINC000629581252 356782505 /nfs/dbraw/zinc/78/25/05/356782505.db2.gz TXGVTKNZJVFPFQ-UHFFFAOYSA-N 2 2 287.385 -0.238 20 0 CBADLP C[N@@H+](CCOCC[NH3+])CCS(=O)(=O)c1ccccn1 ZINC000629581252 356782507 /nfs/dbraw/zinc/78/25/07/356782507.db2.gz TXGVTKNZJVFPFQ-UHFFFAOYSA-N 2 2 287.385 -0.238 20 0 CBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C[NH2+]CC1CC1 ZINC000629606673 356785796 /nfs/dbraw/zinc/78/57/96/356785796.db2.gz KZVATVHLKARCFP-CYBMUJFWSA-N 2 2 285.388 -0.863 20 0 CBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CC[C@H]1CC[NH2+]C1 ZINC000629606787 356785878 /nfs/dbraw/zinc/78/58/78/356785878.db2.gz MKGCVKFKOVGDQF-KBPBESRZSA-N 2 2 299.415 -0.472 20 0 CBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CC1([NH3+])CCC1 ZINC000629606146 356786034 /nfs/dbraw/zinc/78/60/34/356786034.db2.gz DFBNXNLUGOKMHB-GFCCVEGCSA-N 2 2 285.388 -0.591 20 0 CBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000629607192 356786156 /nfs/dbraw/zinc/78/61/56/356786156.db2.gz QZMKMQSBSZISQS-UPJWGTAASA-N 2 2 285.388 -0.735 20 0 CBADLP CC(C)C[C@@H]([NH3+])C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000629606460 356786258 /nfs/dbraw/zinc/78/62/58/356786258.db2.gz DQJDAYCAVFABGN-QWHCGFSZSA-N 2 2 287.404 -0.489 20 0 CBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000629606519 356786285 /nfs/dbraw/zinc/78/62/85/356786285.db2.gz ILKXTYOCPIDWHZ-UONOGXRCSA-N 2 2 299.415 -0.330 20 0 CBADLP C[C@@H]([NH3+])CCC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000629607485 356786352 /nfs/dbraw/zinc/78/63/52/356786352.db2.gz UUHRLFJKLKJRPP-NEPJUHHUSA-N 2 2 273.377 -0.735 20 0 CBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@]1(C)CC[NH2+]C1 ZINC000629607530 356787146 /nfs/dbraw/zinc/78/71/46/356787146.db2.gz VRWRMHQMRQPHTC-TZMCWYRMSA-N 2 2 285.388 -0.863 20 0 CBADLP CCC[NH2+][C@@H](C)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000629607906 356787217 /nfs/dbraw/zinc/78/72/17/356787217.db2.gz RUJBSCOHDPMGCF-QWHCGFSZSA-N 2 2 287.404 -0.474 20 0 CBADLP C[C@H]1C[C@H]([NH3+])CN1C(=O)NCC[NH+]1CCOCC1 ZINC000631000654 356872421 /nfs/dbraw/zinc/87/24/21/356872421.db2.gz HZNUYVDCXVGZDN-QWRGUYRKSA-N 2 2 256.350 -0.550 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2CCC([NH3+])CC2)CC1 ZINC000630343599 356835582 /nfs/dbraw/zinc/83/55/82/356835582.db2.gz DWEHOELQEMDPRX-UHFFFAOYSA-N 2 2 268.361 -0.900 20 0 CBADLP CO[C@@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)[C@@](C)(C[NH3+])C1 ZINC000630368610 356839766 /nfs/dbraw/zinc/83/97/66/356839766.db2.gz SDLVJZATKQCEJE-DZGCQCFKSA-N 3 2 298.431 -0.411 20 0 CBADLP CO[C@@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)[C@@](C)(C[NH3+])C1 ZINC000630368610 356839770 /nfs/dbraw/zinc/83/97/70/356839770.db2.gz SDLVJZATKQCEJE-DZGCQCFKSA-N 3 2 298.431 -0.411 20 0 CBADLP CO[C@@H]1CN(CCC(=O)N2CC[NH+](C)CC2)[C@@](C)(C[NH3+])C1 ZINC000630368610 356839772 /nfs/dbraw/zinc/83/97/72/356839772.db2.gz SDLVJZATKQCEJE-DZGCQCFKSA-N 2 2 298.431 -0.411 20 0 CBADLP O=C(NCCCn1cc[nH+]c1)NCC[N@H+]1CC[C@H](O)C1 ZINC000630398889 356844099 /nfs/dbraw/zinc/84/40/99/356844099.db2.gz JWRSLLXVMCIBHV-LBPRGKRZSA-N 2 2 281.360 -0.361 20 0 CBADLP O=C(NCCCn1cc[nH+]c1)NCC[N@@H+]1CC[C@H](O)C1 ZINC000630398889 356844101 /nfs/dbraw/zinc/84/41/01/356844101.db2.gz JWRSLLXVMCIBHV-LBPRGKRZSA-N 2 2 281.360 -0.361 20 0 CBADLP C[NH+](C)CCn1cc(C(=O)N2CC[NH+](CCO)CC2)cn1 ZINC000630710454 356857804 /nfs/dbraw/zinc/85/78/04/356857804.db2.gz SAWWVJBJILRTBX-UHFFFAOYSA-N 2 2 295.387 -0.805 20 0 CBADLP C[NH+]1CCC[C@@H](NS(=O)(=O)C[C@H]2C[N@H+](C)CCO2)C1 ZINC000631784569 356906887 /nfs/dbraw/zinc/90/68/87/356906887.db2.gz ZHHYEOWBXUUNDF-VXGBXAGGSA-N 2 2 291.417 -0.669 20 0 CBADLP C[NH+]1CCC[C@@H](NS(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)C1 ZINC000631784569 356906891 /nfs/dbraw/zinc/90/68/91/356906891.db2.gz ZHHYEOWBXUUNDF-VXGBXAGGSA-N 2 2 291.417 -0.669 20 0 CBADLP C[NH+]1CCO[C@@H](CS(=O)(=O)N[C@@H]2CCC[N@H+](C)C2)C1 ZINC000631784569 356906892 /nfs/dbraw/zinc/90/68/92/356906892.db2.gz ZHHYEOWBXUUNDF-VXGBXAGGSA-N 2 2 291.417 -0.669 20 0 CBADLP C[NH+]1CCO[C@@H](CS(=O)(=O)N[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000631784569 356906895 /nfs/dbraw/zinc/90/68/95/356906895.db2.gz ZHHYEOWBXUUNDF-VXGBXAGGSA-N 2 2 291.417 -0.669 20 0 CBADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000631861600 356913739 /nfs/dbraw/zinc/91/37/39/356913739.db2.gz FLAOEPHWFPVLMB-NEPJUHHUSA-N 3 2 254.378 -0.428 20 0 CBADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000631861600 356913740 /nfs/dbraw/zinc/91/37/40/356913740.db2.gz FLAOEPHWFPVLMB-NEPJUHHUSA-N 3 2 254.378 -0.428 20 0 CBADLP CNC(=O)NC[C@H]1COCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000631872854 356914661 /nfs/dbraw/zinc/91/46/61/356914661.db2.gz HGYFCPPFIXYNBN-NWDGAFQWSA-N 2 2 298.387 -0.863 20 0 CBADLP CNC(=O)NC[C@H]1COCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000631872854 356914664 /nfs/dbraw/zinc/91/46/64/356914664.db2.gz HGYFCPPFIXYNBN-NWDGAFQWSA-N 2 2 298.387 -0.863 20 0 CBADLP CS(=O)(=O)NCC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631885859 356916012 /nfs/dbraw/zinc/91/60/12/356916012.db2.gz BUWQJDPVVMSLEQ-WDEREUQCSA-N 2 2 261.391 -0.391 20 0 CBADLP CS(=O)(=O)NCC[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631885859 356916016 /nfs/dbraw/zinc/91/60/16/356916016.db2.gz BUWQJDPVVMSLEQ-WDEREUQCSA-N 2 2 261.391 -0.391 20 0 CBADLP O=C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)N1CCNC(=O)C1 ZINC000631887944 356916082 /nfs/dbraw/zinc/91/60/82/356916082.db2.gz VLUBTJIEPKETQB-NEPJUHHUSA-N 2 2 280.372 -0.981 20 0 CBADLP O=C(C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)N1CCNC(=O)C1 ZINC000631887944 356916084 /nfs/dbraw/zinc/91/60/84/356916084.db2.gz VLUBTJIEPKETQB-NEPJUHHUSA-N 2 2 280.372 -0.981 20 0 CBADLP NS(=O)(=O)c1cccc2c1CC[N@H+](CCOCC[NH3+])C2 ZINC000631884850 356916211 /nfs/dbraw/zinc/91/62/11/356916211.db2.gz PQVGDZQLQGXYPT-UHFFFAOYSA-N 2 2 299.396 -0.333 20 0 CBADLP NS(=O)(=O)c1cccc2c1CC[N@@H+](CCOCC[NH3+])C2 ZINC000631884850 356916213 /nfs/dbraw/zinc/91/62/13/356916213.db2.gz PQVGDZQLQGXYPT-UHFFFAOYSA-N 2 2 299.396 -0.333 20 0 CBADLP CN1CC[N@H+](C)C[C@H]1CNS(=O)(=O)CCC[NH+](C)C ZINC000631943266 356930694 /nfs/dbraw/zinc/93/06/94/356930694.db2.gz RIWBJDIMXYKRSH-GFCCVEGCSA-N 2 2 292.449 -0.897 20 0 CBADLP CN1CC[N@@H+](C)C[C@H]1CNS(=O)(=O)CCC[NH+](C)C ZINC000631943266 356930699 /nfs/dbraw/zinc/93/06/99/356930699.db2.gz RIWBJDIMXYKRSH-GFCCVEGCSA-N 2 2 292.449 -0.897 20 0 CBADLP C[NH+]1CCC(NS(=O)(=O)C[C@H]2C[N@H+](C)CCO2)CC1 ZINC000631677090 356900431 /nfs/dbraw/zinc/90/04/31/356900431.db2.gz PBLSHPXIXXTCQE-GFCCVEGCSA-N 2 2 291.417 -0.669 20 0 CBADLP C[NH+]1CCC(NS(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000631677090 356900436 /nfs/dbraw/zinc/90/04/36/356900436.db2.gz PBLSHPXIXXTCQE-GFCCVEGCSA-N 2 2 291.417 -0.669 20 0 CBADLP CNS(=O)(=O)CCC[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000631709928 356902429 /nfs/dbraw/zinc/90/24/29/356902429.db2.gz MZKAILJFDWXGCD-JQWIXIFHSA-N 2 2 275.418 -0.002 20 0 CBADLP CNS(=O)(=O)CCC[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000631709928 356902432 /nfs/dbraw/zinc/90/24/32/356902432.db2.gz MZKAILJFDWXGCD-JQWIXIFHSA-N 2 2 275.418 -0.002 20 0 CBADLP CC(C)[N@H+](C)CCNS(=O)(=O)C[C@H]1C[NH+](C)CCO1 ZINC000632255642 356964330 /nfs/dbraw/zinc/96/43/30/356964330.db2.gz ZKPKTBVCWQOALF-GFCCVEGCSA-N 2 2 293.433 -0.423 20 0 CBADLP CC(C)[N@@H+](C)CCNS(=O)(=O)C[C@H]1C[NH+](C)CCO1 ZINC000632255642 356964333 /nfs/dbraw/zinc/96/43/33/356964333.db2.gz ZKPKTBVCWQOALF-GFCCVEGCSA-N 2 2 293.433 -0.423 20 0 CBADLP CC(C)[NH+](C)CCNS(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000632255642 356964334 /nfs/dbraw/zinc/96/43/34/356964334.db2.gz ZKPKTBVCWQOALF-GFCCVEGCSA-N 2 2 293.433 -0.423 20 0 CBADLP CC(C)[NH+](C)CCNS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000632255642 356964335 /nfs/dbraw/zinc/96/43/35/356964335.db2.gz ZKPKTBVCWQOALF-GFCCVEGCSA-N 2 2 293.433 -0.423 20 0 CBADLP C[C@@H](CNS(=O)(=O)C[C@H]1C[N@H+](C)CCO1)C[NH+](C)C ZINC000632358861 356977530 /nfs/dbraw/zinc/97/75/30/356977530.db2.gz ZRXXLZJCMDJIBM-NWDGAFQWSA-N 2 2 293.433 -0.566 20 0 CBADLP C[C@@H](CNS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1)C[NH+](C)C ZINC000632358861 356977531 /nfs/dbraw/zinc/97/75/31/356977531.db2.gz ZRXXLZJCMDJIBM-NWDGAFQWSA-N 2 2 293.433 -0.566 20 0 CBADLP C[NH+](C)C1(CNS(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000632488797 356995179 /nfs/dbraw/zinc/99/51/79/356995179.db2.gz NDQUNUKHCBDJRN-NSHDSACASA-N 2 2 291.417 -0.669 20 0 CBADLP C[NH+](C)C1(CNS(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000632488797 356995182 /nfs/dbraw/zinc/99/51/82/356995182.db2.gz NDQUNUKHCBDJRN-NSHDSACASA-N 2 2 291.417 -0.669 20 0 CBADLP C[NH+](C)C1(CS(=O)(=O)NCC[NH+]2CCC2)CC1 ZINC000632133422 356952534 /nfs/dbraw/zinc/95/25/34/356952534.db2.gz CDZFKXICQCKKJL-UHFFFAOYSA-N 2 2 261.391 -0.294 20 0 CBADLP C[C@@H]1CN(C(=O)C(=O)N(C)Cc2[nH]cc[nH+]2)C[C@H](C)[N@H+]1C ZINC000632753333 357021844 /nfs/dbraw/zinc/02/18/44/357021844.db2.gz FGICLGICCCHWJV-PHIMTYICSA-N 2 2 293.371 -0.081 20 0 CBADLP C[C@@H]1CN(C(=O)C(=O)N(C)Cc2[nH]cc[nH+]2)C[C@H](C)[N@@H+]1C ZINC000632753333 357021846 /nfs/dbraw/zinc/02/18/46/357021846.db2.gz FGICLGICCCHWJV-PHIMTYICSA-N 2 2 293.371 -0.081 20 0 CBADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000633104320 357045955 /nfs/dbraw/zinc/04/59/55/357045955.db2.gz AEIZOTREFSIAGD-QWRGUYRKSA-N 2 2 291.355 -0.422 20 0 CBADLP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000633104113 357046424 /nfs/dbraw/zinc/04/64/24/357046424.db2.gz BYVKQJBVAAPNTQ-LLVKDONJSA-N 2 2 293.371 -0.031 20 0 CBADLP C[C@@H]1CCN(C(=O)C(=O)N(C)Cc2[nH]cc[nH+]2)C[C@@H]1C[NH3+] ZINC000633108677 357046725 /nfs/dbraw/zinc/04/67/25/357046725.db2.gz ZMFIVFSQRRTCSE-MNOVXSKESA-N 2 2 293.371 -0.189 20 0 CBADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000633107946 357046868 /nfs/dbraw/zinc/04/68/68/357046868.db2.gz CRHVTEIDZMGLCY-HZMBPMFUSA-N 2 2 291.355 -0.292 20 0 CBADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633106651 357047155 /nfs/dbraw/zinc/04/71/55/357047155.db2.gz OKTYDVJDPYQTKT-MNOVXSKESA-N 2 2 291.355 -0.279 20 0 CBADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000633105864 357047292 /nfs/dbraw/zinc/04/72/92/357047292.db2.gz JPGUKRJVMDBDDZ-SECBINFHSA-N 2 2 265.317 -0.682 20 0 CBADLP Cc1cn2c([nH+]1)CN(C(=O)C(=O)N1C[C@@H]([NH3+])C[C@H]1C)CC2 ZINC000633148340 357052559 /nfs/dbraw/zinc/05/25/59/357052559.db2.gz UWZRREYUOWNHFH-MNOVXSKESA-N 2 2 291.355 -0.518 20 0 CBADLP Cc1cn2c([nH+]1)CN(C(=O)C(=O)N1C[C@H]([NH3+])C[C@H]1C)CC2 ZINC000633148339 357052627 /nfs/dbraw/zinc/05/26/27/357052627.db2.gz UWZRREYUOWNHFH-GHMZBOCLSA-N 2 2 291.355 -0.518 20 0 CBADLP C[NH+](C)C1(CS(=O)(=O)N2CC[N@H+](C)C[C@H]2CO)CC1 ZINC000632576285 357004396 /nfs/dbraw/zinc/00/43/96/357004396.db2.gz MZNLLZFGJPLQOJ-NSHDSACASA-N 2 2 291.417 -0.981 20 0 CBADLP C[NH+](C)C1(CS(=O)(=O)N2CC[N@@H+](C)C[C@H]2CO)CC1 ZINC000632576285 357004401 /nfs/dbraw/zinc/00/44/01/357004401.db2.gz MZNLLZFGJPLQOJ-NSHDSACASA-N 2 2 291.417 -0.981 20 0 CBADLP C[NH+](C)CCn1cc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)cn1 ZINC000633304785 357059095 /nfs/dbraw/zinc/05/90/95/357059095.db2.gz UKJIZKSSPJEGFM-LBPRGKRZSA-N 2 2 288.355 -0.004 20 0 CBADLP CC[C@@H](NC(C)=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000633617986 357075953 /nfs/dbraw/zinc/07/59/53/357075953.db2.gz ODNQWMUUSMYZLX-CYBMUJFWSA-N 2 2 286.420 -0.099 20 0 CBADLP CC[C@@H](NC(C)=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000633617986 357075957 /nfs/dbraw/zinc/07/59/57/357075957.db2.gz ODNQWMUUSMYZLX-CYBMUJFWSA-N 2 2 286.420 -0.099 20 0 CBADLP C[C@H](C(=O)N[C@]12CCC[C@@H]1C[NH2+]C2)N1CC[NH2+]CC1=O ZINC000634769972 357134761 /nfs/dbraw/zinc/13/47/61/357134761.db2.gz VFAWHQRJMNOJEV-GYSYKLTISA-N 2 2 280.372 -0.935 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H]3COC[C@@H]3C2)CC1 ZINC000634782421 357136824 /nfs/dbraw/zinc/13/68/24/357136824.db2.gz NSKPVSLAHDRWJG-TXEJJXNPSA-N 2 2 253.346 -0.661 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2C[C@@H]3COC[C@@H]3C2)CC1 ZINC000634782421 357136827 /nfs/dbraw/zinc/13/68/27/357136827.db2.gz NSKPVSLAHDRWJG-TXEJJXNPSA-N 2 2 253.346 -0.661 20 0 CBADLP c1nc(N2CC[C@@H]3OCC[NH2+][C@H]3C2)c2c([nH+]1)NCCO2 ZINC000634809258 357137341 /nfs/dbraw/zinc/13/73/41/357137341.db2.gz NLTZISFXZLATBV-UWVGGRQHSA-N 2 2 277.328 -0.152 20 0 CBADLP CNS(=O)(=O)CCC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000635009325 357142951 /nfs/dbraw/zinc/14/29/51/357142951.db2.gz YAFQNJHEFYWBOA-NEPJUHHUSA-N 2 2 291.417 -0.718 20 0 CBADLP CNS(=O)(=O)CCC[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000635009648 357143458 /nfs/dbraw/zinc/14/34/58/357143458.db2.gz YRRJRYIGGAKIAE-QWRGUYRKSA-N 2 2 279.406 -0.718 20 0 CBADLP C[C@H](C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)[NH+](C)C ZINC000635532384 357172901 /nfs/dbraw/zinc/17/29/01/357172901.db2.gz KJINYJBOKRPXEB-JHJVBQTASA-N 2 2 269.389 -0.006 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000635294349 357155577 /nfs/dbraw/zinc/15/55/77/357155577.db2.gz IKTJWYVPKXDTIZ-CQSZACIVSA-N 2 2 296.415 -0.392 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000635294349 357155582 /nfs/dbraw/zinc/15/55/82/357155582.db2.gz IKTJWYVPKXDTIZ-CQSZACIVSA-N 2 2 296.415 -0.392 20 0 CBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000635658835 357190139 /nfs/dbraw/zinc/19/01/39/357190139.db2.gz JUHKJSWBSBCPDL-ZIAGYGMSSA-N 2 2 299.415 -0.520 20 0 CBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000635658835 357190144 /nfs/dbraw/zinc/19/01/44/357190144.db2.gz JUHKJSWBSBCPDL-ZIAGYGMSSA-N 2 2 299.415 -0.520 20 0 CBADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@]2(C)CCNC2=O)CC1 ZINC000635667876 357190578 /nfs/dbraw/zinc/19/05/78/357190578.db2.gz QACIUYRVGVJNGE-OAHLLOKOSA-N 2 2 296.415 -0.345 20 0 CBADLP C[C@H](C(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1)[NH+](C)C ZINC000635685833 357191817 /nfs/dbraw/zinc/19/18/17/357191817.db2.gz RLPHDSKVTXGSKS-ZIAGYGMSSA-N 2 2 299.415 -0.114 20 0 CBADLP CCc1c[nH]c(CC(=O)N[C@H](CO)C[NH+](C)C)[nH+]1 ZINC000635928788 357236250 /nfs/dbraw/zinc/23/62/50/357236250.db2.gz OGOQZMMSSNDDDN-JTQLQIEISA-N 2 2 254.334 -0.447 20 0 CBADLP O=C(NCCC[NH+]1CCOCC1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636447684 357286082 /nfs/dbraw/zinc/28/60/82/357286082.db2.gz GYEILXFORQOBPD-LBPRGKRZSA-N 2 2 293.371 -0.171 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000636050243 357256259 /nfs/dbraw/zinc/25/62/59/357256259.db2.gz UWZXNTLCWSUJTL-ZDUSSCGKSA-N 2 2 280.372 -0.074 20 0 CBADLP COCCOCC[NH+]1CCN(C(=O)[C@@H](C)[NH+](C)C)CC1 ZINC000636128909 357265907 /nfs/dbraw/zinc/26/59/07/357265907.db2.gz YAMCGPHJZVQSGR-CYBMUJFWSA-N 2 2 287.404 -0.256 20 0 CBADLP C[C@@H]([NH3+])C1CCN(C(=O)[C@@H](C)N2CC[NH2+]CC2=O)CC1 ZINC000637827890 357372318 /nfs/dbraw/zinc/37/23/18/357372318.db2.gz BUDGRQNJJSUHOM-GHMZBOCLSA-N 2 2 282.388 -0.608 20 0 CBADLP CCCN(C(=O)[C@H](C)N1CC[NH2+]CC1=O)[C@H]1CC[NH2+]C1 ZINC000637832652 357372997 /nfs/dbraw/zinc/37/29/97/357372997.db2.gz LKUCEANFDUWEKR-RYUDHWBXSA-N 2 2 282.388 -0.593 20 0 CBADLP C[C@@H]1C[C@H](C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])[C@H](C)O1 ZINC000637863639 357378177 /nfs/dbraw/zinc/37/81/77/357378177.db2.gz FERIKSXOBFSDIC-KXNHARMFSA-N 2 2 255.362 -0.099 20 0 CBADLP C[C@@H]1C[C@H](C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])[C@H](C)O1 ZINC000637863639 357378178 /nfs/dbraw/zinc/37/81/78/357378178.db2.gz FERIKSXOBFSDIC-KXNHARMFSA-N 2 2 255.362 -0.099 20 0 CBADLP CC[C@H](NC(C)=O)C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000637864103 357378499 /nfs/dbraw/zinc/37/84/99/357378499.db2.gz MFCNEZJSJPOQDW-QWRGUYRKSA-N 2 2 256.350 -0.998 20 0 CBADLP CC[C@H](NC(C)=O)C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000637864103 357378503 /nfs/dbraw/zinc/37/85/03/357378503.db2.gz MFCNEZJSJPOQDW-QWRGUYRKSA-N 2 2 256.350 -0.998 20 0 CBADLP C[C@H](C(=O)N(C)CC(C)(C)C[NH3+])N1CC[NH2+]CC1=O ZINC000637861314 357378264 /nfs/dbraw/zinc/37/82/64/357378264.db2.gz IJLMBXIBVKEAIC-SNVBAGLBSA-N 2 2 270.377 -0.750 20 0 CBADLP C[C@H](C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1)N1CC[NH2+]CC1=O ZINC000637842126 357374985 /nfs/dbraw/zinc/37/49/85/357374985.db2.gz XIMVUNSBZOWHBG-GMTAPVOTSA-N 2 2 268.361 -0.985 20 0 CBADLP CCC(CC)(C[NH3+])NC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000637838932 357375474 /nfs/dbraw/zinc/37/54/74/357375474.db2.gz CXBDJSTXUAZGAV-JTQLQIEISA-N 2 2 270.377 -0.560 20 0 CBADLP C[C@@H](NC(=O)NCC[N@@H+]1CC[C@@H](O)C1)c1[nH+]ccn1C ZINC000637290077 357337622 /nfs/dbraw/zinc/33/76/22/357337622.db2.gz PCFJWUZVKGGIOS-GHMZBOCLSA-N 2 2 281.360 -0.153 20 0 CBADLP C[C@@H](NC(=O)NCC[N@H+]1CC[C@@H](O)C1)c1[nH+]ccn1C ZINC000637290077 357337627 /nfs/dbraw/zinc/33/76/27/357337627.db2.gz PCFJWUZVKGGIOS-GHMZBOCLSA-N 2 2 281.360 -0.153 20 0 CBADLP CC(C)C[C@@](C)(C[NH3+])NC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000637847799 357376172 /nfs/dbraw/zinc/37/61/72/357376172.db2.gz DHYUKQQSFGDHFZ-RISCZKNCSA-N 2 2 284.404 -0.314 20 0 CBADLP C[C@H](C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1)N1CC[NH2+]CC1=O ZINC000637848205 357376467 /nfs/dbraw/zinc/37/64/67/357376467.db2.gz NGPUOMXNGYNZTL-TUAOUCFPSA-N 2 2 282.388 -0.608 20 0 CBADLP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H](C)N2CC[NH2+]CC2=O)C1 ZINC000637848201 357376539 /nfs/dbraw/zinc/37/65/39/357376539.db2.gz NGPUOMXNGYNZTL-SDDRHHMPSA-N 2 2 282.388 -0.608 20 0 CBADLP C[C@H](C(=O)N1CCCC[C@H]1[C@H](C)[NH3+])N1CC[NH2+]CC1=O ZINC000637808069 357367995 /nfs/dbraw/zinc/36/79/95/357367995.db2.gz UPRWDMKGWKWBCN-TUAOUCFPSA-N 2 2 282.388 -0.465 20 0 CBADLP CCOCC[N@@H+]1CCN(Cc2c[nH+]c(N)nc2N)C[C@H]1C ZINC000638045477 357404796 /nfs/dbraw/zinc/40/47/96/357404796.db2.gz YTXKJAYBKSKPFL-LLVKDONJSA-N 2 2 294.403 -0.156 20 0 CBADLP CCOCC[N@H+]1CCN(Cc2c[nH+]c(N)nc2N)C[C@H]1C ZINC000638045477 357404801 /nfs/dbraw/zinc/40/48/01/357404801.db2.gz YTXKJAYBKSKPFL-LLVKDONJSA-N 2 2 294.403 -0.156 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@@]2(C)C[C@@H](OC)C[NH2+]2)CC1 ZINC000638055140 357405940 /nfs/dbraw/zinc/40/59/40/357405940.db2.gz GKCCEYFUFOONFI-TZMCWYRMSA-N 2 2 285.388 -0.456 20 0 CBADLP C[C@@H](C(=O)NCC(C)(C)[NH+](C)C)N1CC[NH2+]CC1=O ZINC000638049720 357406707 /nfs/dbraw/zinc/40/67/07/357406707.db2.gz GZGSLGLQWDKPEL-JTQLQIEISA-N 2 2 270.377 -0.737 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000638239305 357442162 /nfs/dbraw/zinc/44/21/62/357442162.db2.gz AVTCTTGCTFRCHD-LBPRGKRZSA-N 2 2 277.372 -0.233 20 0 CBADLP C[C@H](C(=O)NC1CC[NH+](C2CC2)CC1)N1CC[NH2+]CC1=O ZINC000638057064 357407780 /nfs/dbraw/zinc/40/77/80/357407780.db2.gz UJMFRROMKRFOKE-LLVKDONJSA-N 2 2 294.399 -0.450 20 0 CBADLP CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@H](C)C[NH+]2CCOCC2)C1 ZINC000638068204 357408502 /nfs/dbraw/zinc/40/85/02/357408502.db2.gz BUBUQHIHSDXCMV-DYEKYZERSA-N 2 2 285.388 -0.410 20 0 CBADLP C[C@H](C(=O)N[C@@H](C)C[NH+]1CCCCC1)N1CC[NH2+]CC1=O ZINC000638069328 357409891 /nfs/dbraw/zinc/40/98/91/357409891.db2.gz JDJXVGRLEWWRGJ-QWHCGFSZSA-N 2 2 296.415 -0.203 20 0 CBADLP O=C(CN1CC[NH2+]CC1)NCCCNc1cccc[nH+]1 ZINC000638072619 357410506 /nfs/dbraw/zinc/41/05/06/357410506.db2.gz PQHDKZBGRUYIRF-UHFFFAOYSA-N 2 2 277.372 -0.095 20 0 CBADLP CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@H](C)N2CC[NH2+]CC2=O)C1 ZINC000638078210 357412530 /nfs/dbraw/zinc/41/25/30/357412530.db2.gz FMPFRBVEOLPWJN-STQMWFEESA-N 2 2 296.415 -0.347 20 0 CBADLP CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@H](C)N2CC[NH2+]CC2=O)C1 ZINC000638078210 357412535 /nfs/dbraw/zinc/41/25/35/357412535.db2.gz FMPFRBVEOLPWJN-STQMWFEESA-N 2 2 296.415 -0.347 20 0 CBADLP CC[NH+](CC)C[C@H](C)NC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638077062 357412722 /nfs/dbraw/zinc/41/27/22/357412722.db2.gz PNYQHAHBEGHDSR-NWDGAFQWSA-N 2 2 284.404 -0.347 20 0 CBADLP C[C@H](C(=O)N[C@H]1CCC[N@H+](C)C1)N1CC[NH2+]CC1=O ZINC000638080151 357412764 /nfs/dbraw/zinc/41/27/64/357412764.db2.gz ZOQHQBJRKREAPZ-MNOVXSKESA-N 2 2 268.361 -0.983 20 0 CBADLP C[C@H](C(=O)N[C@H]1CCC[N@@H+](C)C1)N1CC[NH2+]CC1=O ZINC000638080151 357412767 /nfs/dbraw/zinc/41/27/67/357412767.db2.gz ZOQHQBJRKREAPZ-MNOVXSKESA-N 2 2 268.361 -0.983 20 0 CBADLP C[C@@H](C(=O)NC[C@H]1CCC[N@H+](C)C1)N1CC[NH2+]CC1=O ZINC000638085848 357413415 /nfs/dbraw/zinc/41/34/15/357413415.db2.gz NOBNGSUWMMCCIP-NWDGAFQWSA-N 2 2 282.388 -0.735 20 0 CBADLP C[C@@H](C(=O)NC[C@H]1CCC[N@@H+](C)C1)N1CC[NH2+]CC1=O ZINC000638085848 357413417 /nfs/dbraw/zinc/41/34/17/357413417.db2.gz NOBNGSUWMMCCIP-NWDGAFQWSA-N 2 2 282.388 -0.735 20 0 CBADLP Cc1[nH+]ccn1CCNC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638090654 357414433 /nfs/dbraw/zinc/41/44/33/357414433.db2.gz JDTDXWUHMRNUAB-JTQLQIEISA-N 2 2 279.344 -0.872 20 0 CBADLP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCC[N@@H+]2CCO[C@H](C)C2)C1 ZINC000638089966 357414528 /nfs/dbraw/zinc/41/45/28/357414528.db2.gz FIEWNWGIOXTOHW-MBNYWOFBSA-N 2 2 285.388 -0.410 20 0 CBADLP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCC[N@H+]2CCO[C@H](C)C2)C1 ZINC000638089966 357414530 /nfs/dbraw/zinc/41/45/30/357414530.db2.gz FIEWNWGIOXTOHW-MBNYWOFBSA-N 2 2 285.388 -0.410 20 0 CBADLP CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638096346 357415900 /nfs/dbraw/zinc/41/59/00/357415900.db2.gz HSBIETQXGVTTQQ-NWDGAFQWSA-N 2 2 284.404 -0.347 20 0 CBADLP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638096346 357415902 /nfs/dbraw/zinc/41/59/02/357415902.db2.gz HSBIETQXGVTTQQ-NWDGAFQWSA-N 2 2 284.404 -0.347 20 0 CBADLP C[C@H](C(=O)N1CCC[C@H]([NH+](C)C)C1)N1CC[NH2+]CC1=O ZINC000638095626 357415941 /nfs/dbraw/zinc/41/59/41/357415941.db2.gz AABIKDDAAYDQMJ-NEPJUHHUSA-N 2 2 282.388 -0.641 20 0 CBADLP C[C@H](C(=O)N[C@@H](C)C1CC[NH+](C)CC1)N1CC[NH2+]CC1=O ZINC000638092542 357416188 /nfs/dbraw/zinc/41/61/88/357416188.db2.gz YEGSGIURUZAAFB-NWDGAFQWSA-N 2 2 296.415 -0.347 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638097442 357416222 /nfs/dbraw/zinc/41/62/22/357416222.db2.gz FBDMBESSERNNSV-JQWIXIFHSA-N 2 2 253.346 -0.129 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638097442 357416224 /nfs/dbraw/zinc/41/62/24/357416224.db2.gz FBDMBESSERNNSV-JQWIXIFHSA-N 2 2 253.346 -0.129 20 0 CBADLP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000638100385 357417597 /nfs/dbraw/zinc/41/75/97/357417597.db2.gz YYYDIDWIBLYUPE-SWLSCSKDSA-N 2 2 299.415 -0.020 20 0 CBADLP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000638100385 357417600 /nfs/dbraw/zinc/41/76/00/357417600.db2.gz YYYDIDWIBLYUPE-SWLSCSKDSA-N 2 2 299.415 -0.020 20 0 CBADLP CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638102320 357418029 /nfs/dbraw/zinc/41/80/29/357418029.db2.gz SVXRGVWEIWQIOM-STQMWFEESA-N 2 2 296.415 -0.203 20 0 CBADLP CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638102320 357418031 /nfs/dbraw/zinc/41/80/31/357418031.db2.gz SVXRGVWEIWQIOM-STQMWFEESA-N 2 2 296.415 -0.203 20 0 CBADLP C[C@H](NC(=O)CN1CC[NH2+]CC1)[C@H](C)[NH+]1CCOCC1 ZINC000638102134 357418482 /nfs/dbraw/zinc/41/84/82/357418482.db2.gz RZUHQFDUIFEGBW-STQMWFEESA-N 2 2 284.404 -0.883 20 0 CBADLP C[C@H](NC(=O)[C@]1(C[NH3+])CCCOC1)[C@H](C)[NH+]1CCOCC1 ZINC000638102862 357418520 /nfs/dbraw/zinc/41/85/20/357418520.db2.gz WOYRFHKQKTTXBD-YDHLFZDLSA-N 2 2 299.415 -0.033 20 0 CBADLP CO[C@H]1C[NH2+][C@](C)(C(=O)NCCc2[nH]cc[nH+]2)C1 ZINC000638111021 357420916 /nfs/dbraw/zinc/42/09/16/357420916.db2.gz BDWGCGFZJBETAV-SKDRFNHKSA-N 2 2 252.318 -0.165 20 0 CBADLP CCC[N@H+](CC)CCNC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638128025 357423147 /nfs/dbraw/zinc/42/31/47/357423147.db2.gz OMRYYKXBBKBJBM-LBPRGKRZSA-N 2 2 284.404 -0.345 20 0 CBADLP CCC[N@@H+](CC)CCNC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638128025 357423150 /nfs/dbraw/zinc/42/31/50/357423150.db2.gz OMRYYKXBBKBJBM-LBPRGKRZSA-N 2 2 284.404 -0.345 20 0 CBADLP C[C@@H](C(=O)Nc1cc[nH+]c(N(C)C)c1)N1CC[NH2+]CC1=O ZINC000638134878 357424511 /nfs/dbraw/zinc/42/45/11/357424511.db2.gz QYRKQKHODMMIBD-JTQLQIEISA-N 2 2 291.355 -0.094 20 0 CBADLP Nc1nc(N)c(CN2CC[NH+](C[C@@H]3CCOC3)CC2)c[nH+]1 ZINC000638140114 357425418 /nfs/dbraw/zinc/42/54/18/357425418.db2.gz VBDPOIXMQUMUDJ-NSHDSACASA-N 2 2 292.387 -0.544 20 0 CBADLP C[C@H](C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)N1CC[NH2+]CC1=O ZINC000638168679 357430103 /nfs/dbraw/zinc/43/01/03/357430103.db2.gz OBPSYEBGOOTQOK-BXUZGUMPSA-N 2 2 280.372 -0.981 20 0 CBADLP C[C@H](C(=O)N(C)C1CC[NH+](C)CC1)N1CC[NH2+]CC1=O ZINC000638170421 357430665 /nfs/dbraw/zinc/43/06/65/357430665.db2.gz PJRDXCLUGNWDPA-LLVKDONJSA-N 2 2 282.388 -0.641 20 0 CBADLP C[C@H](C(=O)N[C@H]1CCC[C@@H]([NH3+])C1)N1CC[NH2+]CC1=O ZINC000638198222 357434162 /nfs/dbraw/zinc/43/41/62/357434162.db2.gz TWSZLJXFOOIOKT-MXWKQRLJSA-N 2 2 268.361 -0.807 20 0 CBADLP CC[C@@H]1CN(C(=O)[C@@H](C)N2CC[NH2+]CC2=O)CC[C@@H]1[NH3+] ZINC000638206881 357434739 /nfs/dbraw/zinc/43/47/39/357434739.db2.gz LULSPEMWKDQTNR-UTUOFQBUSA-N 2 2 282.388 -0.608 20 0 CBADLP C[C@H](C(=O)N[C@H]1CC[NH2+][C@H](C)C1)N1CC[NH2+]CC1=O ZINC000638207944 357435655 /nfs/dbraw/zinc/43/56/55/357435655.db2.gz DMBJINJACRIVGR-MXWKQRLJSA-N 2 2 268.361 -0.937 20 0 CBADLP CC(C)CC[C@@H]([NH3+])C(=O)N1CC[NH+](CCO)CC1 ZINC000638228501 357438057 /nfs/dbraw/zinc/43/80/57/357438057.db2.gz ZBGVBHICIAXZBB-GFCCVEGCSA-N 2 2 257.378 -0.114 20 0 CBADLP C[N@@H+]1CCN(C(=O)COCC(F)F)[C@@H](C[NH3+])C1 ZINC000637863363 357378638 /nfs/dbraw/zinc/37/86/38/357378638.db2.gz ARKMMYDUXVAGHL-QMMMGPOBSA-N 2 2 251.277 -0.631 20 0 CBADLP C[N@H+]1CCN(C(=O)COCC(F)F)[C@@H](C[NH3+])C1 ZINC000637863363 357378639 /nfs/dbraw/zinc/37/86/39/357378639.db2.gz ARKMMYDUXVAGHL-QMMMGPOBSA-N 2 2 251.277 -0.631 20 0 CBADLP C[N@@H+]1CCN(C(=O)Cc2cnn3c2CCCC3)[C@@H](C[NH3+])C1 ZINC000637863618 357378694 /nfs/dbraw/zinc/37/86/94/357378694.db2.gz DPLWSJUSICPPQS-ZDUSSCGKSA-N 2 2 291.399 -0.137 20 0 CBADLP C[N@H+]1CCN(C(=O)Cc2cnn3c2CCCC3)[C@@H](C[NH3+])C1 ZINC000637863618 357378698 /nfs/dbraw/zinc/37/86/98/357378698.db2.gz DPLWSJUSICPPQS-ZDUSSCGKSA-N 2 2 291.399 -0.137 20 0 CBADLP Cc1cnc(COCC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])o1 ZINC000637864362 357379268 /nfs/dbraw/zinc/37/92/68/357379268.db2.gz QODVTZSNDQQTIU-LLVKDONJSA-N 2 2 282.344 -0.399 20 0 CBADLP Cc1cnc(COCC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])o1 ZINC000637864362 357379272 /nfs/dbraw/zinc/37/92/72/357379272.db2.gz QODVTZSNDQQTIU-LLVKDONJSA-N 2 2 282.344 -0.399 20 0 CBADLP C[N@@H+]1CC[C@@H](CC(=O)N2CC[NH+](C)C[C@H]2C[NH3+])C1 ZINC000637866347 357379439 /nfs/dbraw/zinc/37/94/39/357379439.db2.gz KXRNSONKKJYAQN-NWDGAFQWSA-N 3 2 254.378 -0.571 20 0 CBADLP C[N@H+]1CC[C@@H](CC(=O)N2CC[NH+](C)C[C@H]2C[NH3+])C1 ZINC000637866347 357379440 /nfs/dbraw/zinc/37/94/40/357379440.db2.gz KXRNSONKKJYAQN-NWDGAFQWSA-N 3 2 254.378 -0.571 20 0 CBADLP C[NH+]1CC[C@@H](CC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])C1 ZINC000637866347 357379442 /nfs/dbraw/zinc/37/94/42/357379442.db2.gz KXRNSONKKJYAQN-NWDGAFQWSA-N 3 2 254.378 -0.571 20 0 CBADLP C[NH+]1CC[C@@H](CC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])C1 ZINC000637866347 357379444 /nfs/dbraw/zinc/37/94/44/357379444.db2.gz KXRNSONKKJYAQN-NWDGAFQWSA-N 3 2 254.378 -0.571 20 0 CBADLP CCCC[C@@H](C[NH3+])NC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000637868130 357380379 /nfs/dbraw/zinc/38/03/79/357380379.db2.gz ZRVAVTLMUFDBHN-QWRGUYRKSA-N 2 2 270.377 -0.560 20 0 CBADLP Nc1nc(N)c(CN[C@H]2CC[N@H+](CC3CC3)C2)c[nH+]1 ZINC000638582267 357498743 /nfs/dbraw/zinc/49/87/43/357498743.db2.gz LPDOTJLXIZIEBU-NSHDSACASA-N 2 2 262.361 -0.124 20 0 CBADLP Nc1nc(N)c(CN[C@H]2CC[N@@H+](CC3CC3)C2)c[nH+]1 ZINC000638582267 357498747 /nfs/dbraw/zinc/49/87/47/357498747.db2.gz LPDOTJLXIZIEBU-NSHDSACASA-N 2 2 262.361 -0.124 20 0 CBADLP C[NH2+]CCOCCN(C)C(=O)[C@H](C)[NH+]1CCN(C)CC1 ZINC000638593021 357499732 /nfs/dbraw/zinc/49/97/32/357499732.db2.gz ZAXVLSXEJRAGNO-ZDUSSCGKSA-N 2 2 286.420 -0.683 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000638608371 357501485 /nfs/dbraw/zinc/50/14/85/357501485.db2.gz AKCVMFOTDRRXRD-YNEHKIRRSA-N 2 2 267.373 -0.036 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000638608371 357501488 /nfs/dbraw/zinc/50/14/88/357501488.db2.gz AKCVMFOTDRRXRD-YNEHKIRRSA-N 2 2 267.373 -0.036 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccnc(C[NH3+])c1 ZINC000638609091 357501559 /nfs/dbraw/zinc/50/15/59/357501559.db2.gz DRRBDHNIIPGTIM-LBPRGKRZSA-N 2 2 264.329 -0.399 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)c1ccnc(C[NH3+])c1 ZINC000638609091 357501561 /nfs/dbraw/zinc/50/15/61/357501561.db2.gz DRRBDHNIIPGTIM-LBPRGKRZSA-N 2 2 264.329 -0.399 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000638611222 357502443 /nfs/dbraw/zinc/50/24/43/357502443.db2.gz MYBZIENWEKFFLE-MNOVXSKESA-N 2 2 273.402 -0.472 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000638611222 357502448 /nfs/dbraw/zinc/50/24/48/357502448.db2.gz MYBZIENWEKFFLE-MNOVXSKESA-N 2 2 273.402 -0.472 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000638610921 357502702 /nfs/dbraw/zinc/50/27/02/357502702.db2.gz LZNVNLYYXGXFHY-DGCLKSJQSA-N 2 2 255.362 -0.177 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000638610921 357502704 /nfs/dbraw/zinc/50/27/04/357502704.db2.gz LZNVNLYYXGXFHY-DGCLKSJQSA-N 2 2 255.362 -0.177 20 0 CBADLP CC(C)OC[C@H]([NH3+])C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000638612381 357503432 /nfs/dbraw/zinc/50/34/32/357503432.db2.gz VHFYHXNSVMFDBR-MNOVXSKESA-N 2 2 259.350 -0.815 20 0 CBADLP CC(C)OC[C@H]([NH3+])C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000638612381 357503434 /nfs/dbraw/zinc/50/34/34/357503434.db2.gz VHFYHXNSVMFDBR-MNOVXSKESA-N 2 2 259.350 -0.815 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000638611986 357503632 /nfs/dbraw/zinc/50/36/32/357503632.db2.gz RJEFGSNKQVGHRQ-WDEREUQCSA-N 2 2 293.371 -0.453 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000638611986 357503636 /nfs/dbraw/zinc/50/36/36/357503636.db2.gz RJEFGSNKQVGHRQ-WDEREUQCSA-N 2 2 293.371 -0.453 20 0 CBADLP COC[C@@]1(C(=O)NC[C@H]2COCC[N@@H+]2C)CC[NH2+]C1 ZINC000638611975 357504179 /nfs/dbraw/zinc/50/41/79/357504179.db2.gz RHZMOLINZAFKBE-WCQYABFASA-N 2 2 271.361 -0.941 20 0 CBADLP COC[C@@]1(C(=O)NC[C@H]2COCC[N@H+]2C)CC[NH2+]C1 ZINC000638611975 357504183 /nfs/dbraw/zinc/50/41/83/357504183.db2.gz RHZMOLINZAFKBE-WCQYABFASA-N 2 2 271.361 -0.941 20 0 CBADLP C[C@@H]1CC[NH2+][C@@H](C(=O)NC[C@H]2COCC[N@@H+]2C)C1 ZINC000638612375 357504350 /nfs/dbraw/zinc/50/43/50/357504350.db2.gz VGKSHQBWMNXAAZ-GRYCIOLGSA-N 2 2 255.362 -0.179 20 0 CBADLP C[C@@H]1CC[NH2+][C@@H](C(=O)NC[C@H]2COCC[N@H+]2C)C1 ZINC000638612375 357504351 /nfs/dbraw/zinc/50/43/51/357504351.db2.gz VGKSHQBWMNXAAZ-GRYCIOLGSA-N 2 2 255.362 -0.179 20 0 CBADLP O=C(Cc1cn2c([nH+]1)CCCC2)NC[C@@H]1COCC[NH2+]1 ZINC000638614536 357506222 /nfs/dbraw/zinc/50/62/22/357506222.db2.gz UJZCFHUXNGNCTK-GFCCVEGCSA-N 2 2 278.356 -0.134 20 0 CBADLP C[C@@H](C(=O)N[C@@H]1CC[NH2+]CC1(C)C)N1CC[NH2+]CC1=O ZINC000638261064 357444973 /nfs/dbraw/zinc/44/49/73/357444973.db2.gz BOSUAOMZCWOTTP-WDEREUQCSA-N 2 2 282.388 -0.689 20 0 CBADLP C[C@H](C(=O)NCCC[C@@H]1CCC[NH2+]1)N1CC[NH2+]CC1=O ZINC000638261735 357445241 /nfs/dbraw/zinc/44/52/41/357445241.db2.gz JEBCAFXGXNHPPG-NEPJUHHUSA-N 2 2 282.388 -0.545 20 0 CBADLP CC(C)CN(CC[NH+](C)C)C(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638273158 357446857 /nfs/dbraw/zinc/44/68/57/357446857.db2.gz YMHYPEUEGLCKQZ-CYBMUJFWSA-N 2 2 298.431 -0.147 20 0 CBADLP C[C@@H](C(=O)N1CC[NH2+]C(C)(C)C1)N1CC[NH2+]CC1=O ZINC000638269863 357447463 /nfs/dbraw/zinc/44/74/63/357447463.db2.gz CHHQPPBEIRCKOX-JTQLQIEISA-N 2 2 268.361 -0.983 20 0 CBADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C)[NH2+]CC)CC1 ZINC000638274885 357448038 /nfs/dbraw/zinc/44/80/38/357448038.db2.gz QBJYIEKBNSSDAR-GFCCVEGCSA-N 2 2 284.404 -0.345 20 0 CBADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](C)[NH2+]CC)CC1 ZINC000638274885 357448042 /nfs/dbraw/zinc/44/80/42/357448042.db2.gz QBJYIEKBNSSDAR-GFCCVEGCSA-N 2 2 284.404 -0.345 20 0 CBADLP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638284207 357451816 /nfs/dbraw/zinc/45/18/16/357451816.db2.gz PICWKOOCNKQMKQ-CHWSQXEVSA-N 2 2 296.415 -0.395 20 0 CBADLP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638284207 357451818 /nfs/dbraw/zinc/45/18/18/357451818.db2.gz PICWKOOCNKQMKQ-CHWSQXEVSA-N 2 2 296.415 -0.395 20 0 CBADLP CC[NH+]1CCC([NH2+]Cc2cnc(N)nc2N)CC1 ZINC000638291341 357453302 /nfs/dbraw/zinc/45/33/02/357453302.db2.gz OPZNMUAQNDZUBC-UHFFFAOYSA-N 2 2 250.350 -0.124 20 0 CBADLP C[C@H](C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1)N1CC[NH2+]CC1=O ZINC000638339137 357460739 /nfs/dbraw/zinc/46/07/39/357460739.db2.gz CWYLDSQOFZHPEL-UTUOFQBUSA-N 2 2 282.388 -0.750 20 0 CBADLP O=C(Cc1cn2ccccc2[nH+]1)NC[C@@H]1COCC[NH2+]1 ZINC000638618859 357509615 /nfs/dbraw/zinc/50/96/15/357509615.db2.gz OZWXTDIDIWMEPL-GFCCVEGCSA-N 2 2 274.324 -0.019 20 0 CBADLP C[C@@H](C(=O)N[C@@H]1CC[NH2+]C12CCCC2)N1CC[NH2+]CC1=O ZINC000638375907 357463738 /nfs/dbraw/zinc/46/37/38/357463738.db2.gz JNNOJMYHGSCASZ-NWDGAFQWSA-N 2 2 294.399 -0.402 20 0 CBADLP CCCN(CC[NH+](C)C)C(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638378572 357464795 /nfs/dbraw/zinc/46/47/95/357464795.db2.gz YSPFAUDNTYLXTD-GFCCVEGCSA-N 2 2 284.404 -0.393 20 0 CBADLP C[C@H](C(=O)N1CC2CCC1(C[NH3+])CC2)N1CC[NH2+]CC1=O ZINC000638381697 357465003 /nfs/dbraw/zinc/46/50/03/357465003.db2.gz MTHDKHMOCPJNOK-XIKARTHZSA-N 2 2 294.399 -0.463 20 0 CBADLP C[C@H](C(=O)N1CC[C@@H]([NH3+])C[C@H]1C)N1CC[NH2+]CC1=O ZINC000638397088 357467947 /nfs/dbraw/zinc/46/79/47/357467947.db2.gz NUDPGUXORRXTAD-GMTAPVOTSA-N 2 2 268.361 -0.855 20 0 CBADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)CN1CC[NH2+]CC1 ZINC000638407601 357469120 /nfs/dbraw/zinc/46/91/20/357469120.db2.gz BUWPXGHLYCZNRD-OLZOCXBDSA-N 2 2 284.404 -0.883 20 0 CBADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)CN1CC[NH2+]CC1 ZINC000638407601 357469124 /nfs/dbraw/zinc/46/91/24/357469124.db2.gz BUWPXGHLYCZNRD-OLZOCXBDSA-N 2 2 284.404 -0.883 20 0 CBADLP C[C@H](C(=O)N(C)CC(C)(C)[NH3+])N1CC[NH2+]CC1=O ZINC000638403169 357469224 /nfs/dbraw/zinc/46/92/24/357469224.db2.gz YMCLUSJDHPRAPR-SECBINFHSA-N 2 2 256.350 -0.998 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@]2(C)C[NH2+]CCO2)[C@@H](C)CO1 ZINC000638407741 357469498 /nfs/dbraw/zinc/46/94/98/357469498.db2.gz WMIGDQIBMMUOKZ-SCRDCRAPSA-N 2 2 285.388 -0.410 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@]2(C)C[NH2+]CCO2)[C@@H](C)CO1 ZINC000638407741 357469501 /nfs/dbraw/zinc/46/95/01/357469501.db2.gz WMIGDQIBMMUOKZ-SCRDCRAPSA-N 2 2 285.388 -0.410 20 0 CBADLP C[C@H](C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1)N1CC[NH2+]CC1=O ZINC000638405466 357469848 /nfs/dbraw/zinc/46/98/48/357469848.db2.gz ZXZBULSFTBBASS-VXGBXAGGSA-N 2 2 296.415 -0.204 20 0 CBADLP C[C@H](C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1)N1CC[NH2+]CC1=O ZINC000638405466 357469851 /nfs/dbraw/zinc/46/98/51/357469851.db2.gz ZXZBULSFTBBASS-VXGBXAGGSA-N 2 2 296.415 -0.204 20 0 CBADLP C[C@@H](C(=O)NCC1([NH3+])CCCC1)N1CC[NH2+]CC1=O ZINC000638410530 357470941 /nfs/dbraw/zinc/47/09/41/357470941.db2.gz FCLYODQHXXUVBE-JTQLQIEISA-N 2 2 268.361 -0.806 20 0 CBADLP [NH3+]C[C@]1(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CCCOC1 ZINC000638413588 357471770 /nfs/dbraw/zinc/47/17/70/357471770.db2.gz AQJZOAPRPDNCME-UKRRQHHQSA-N 2 2 297.399 -0.325 20 0 CBADLP [NH3+][C@@H]1CC=C(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000638413860 357471982 /nfs/dbraw/zinc/47/19/82/357471982.db2.gz HCQPRWCOTWKPPR-CHWSQXEVSA-N 2 2 265.357 -0.033 20 0 CBADLP CC[NH2+][C@@H](C)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000638414909 357472119 /nfs/dbraw/zinc/47/21/19/357472119.db2.gz UUSSYWYZSFVICE-NWDGAFQWSA-N 2 2 255.362 -0.083 20 0 CBADLP C[C@@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+])N1CC[NH2+]CC1=O ZINC000638422504 357472654 /nfs/dbraw/zinc/47/26/54/357472654.db2.gz DIKDPZDCEDJPDM-WOPDTQHZSA-N 2 2 282.388 -0.608 20 0 CBADLP C[C@@H](NC(=O)[C@@]1(C)C[NH2+]CCO1)c1[nH+]ccn1C ZINC000638429118 357475160 /nfs/dbraw/zinc/47/51/60/357475160.db2.gz HDKIABNAZQUODB-BXKDBHETSA-N 2 2 252.318 -0.024 20 0 CBADLP CO[C@@H](C[NH2+]CC(=O)N1CC[NH+](C)CC1)[C@@H]1CCOC1 ZINC000638440999 357477291 /nfs/dbraw/zinc/47/72/91/357477291.db2.gz ZLHBEDUXSQWSNJ-OLZOCXBDSA-N 2 2 285.388 -0.599 20 0 CBADLP CC[C@@H](C)[C@H]([NH3+])C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000638446726 357478438 /nfs/dbraw/zinc/47/84/38/357478438.db2.gz QVQFQNPZWCIWIK-UPJWGTAASA-N 2 2 287.404 -0.489 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638507608 357490913 /nfs/dbraw/zinc/49/09/13/357490913.db2.gz IGBNCEDZJYNOIM-GFCCVEGCSA-N 2 2 296.415 -0.156 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638507608 357490920 /nfs/dbraw/zinc/49/09/20/357490920.db2.gz IGBNCEDZJYNOIM-GFCCVEGCSA-N 2 2 296.415 -0.156 20 0 CBADLP C[C@@H](C(=O)N[C@H]1CC[NH2+]C12CCC2)N1CC[NH2+]CC1=O ZINC000638512655 357491669 /nfs/dbraw/zinc/49/16/69/357491669.db2.gz JUTCKWZCMILHCB-QWRGUYRKSA-N 2 2 280.372 -0.793 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000638640555 357515074 /nfs/dbraw/zinc/51/50/74/357515074.db2.gz CHRXSEZORSBNAD-RYUDHWBXSA-N 2 2 284.404 -0.301 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000638640555 357515078 /nfs/dbraw/zinc/51/50/78/357515078.db2.gz CHRXSEZORSBNAD-RYUDHWBXSA-N 2 2 284.404 -0.301 20 0 CBADLP C[C@H](C[NH3+])C(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000638731738 357526342 /nfs/dbraw/zinc/52/63/42/357526342.db2.gz QVUIISGADFOODO-OCCSQVGLSA-N 2 2 292.383 -0.007 20 0 CBADLP C[C@H](C[NH3+])C(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000638731738 357526345 /nfs/dbraw/zinc/52/63/45/357526345.db2.gz QVUIISGADFOODO-OCCSQVGLSA-N 2 2 292.383 -0.007 20 0 CBADLP C[C@@H](C[NH3+])C(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000638731736 357526396 /nfs/dbraw/zinc/52/63/96/357526396.db2.gz QVUIISGADFOODO-GXTWGEPZSA-N 2 2 292.383 -0.007 20 0 CBADLP C[C@@H](C[NH3+])C(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000638731736 357526399 /nfs/dbraw/zinc/52/63/99/357526399.db2.gz QVUIISGADFOODO-GXTWGEPZSA-N 2 2 292.383 -0.007 20 0 CBADLP C[N@@H+]1CC[C@@H]2CCN(Cc3c[nH+]c(N)nc3N)[C@H]2C1 ZINC000638917941 357543064 /nfs/dbraw/zinc/54/30/64/357543064.db2.gz KFNCXVWJCJPUDM-KOLCDFICSA-N 2 2 262.361 -0.172 20 0 CBADLP C[N@H+]1CC[C@@H]2CCN(Cc3c[nH+]c(N)nc3N)[C@H]2C1 ZINC000638917941 357543066 /nfs/dbraw/zinc/54/30/66/357543066.db2.gz KFNCXVWJCJPUDM-KOLCDFICSA-N 2 2 262.361 -0.172 20 0 CBADLP [NH3+]C[C@H]1CC[C@H](NC(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000638942127 357546135 /nfs/dbraw/zinc/54/61/35/357546135.db2.gz DQWFNEFVMDTLJR-XYPYZODXSA-N 2 2 268.361 -0.948 20 0 CBADLP C[C@H](C(=O)N[C@H]1CC[C@H](C[NH3+])CC1)N1CC[NH2+]CC1=O ZINC000638951086 357546879 /nfs/dbraw/zinc/54/68/79/357546879.db2.gz PMQYJBZLHWOJBM-IJLUTSLNSA-N 2 2 282.388 -0.560 20 0 CBADLP [NH3+]CCOCC(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000639005264 357551392 /nfs/dbraw/zinc/55/13/92/357551392.db2.gz VMQCTOQUPKTAND-UHFFFAOYSA-N 2 2 293.371 -0.861 20 0 CBADLP C[C@H]([NH3+])CC(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000639005622 357551442 /nfs/dbraw/zinc/55/14/42/357551442.db2.gz YJKXKISHXBRSNN-LBPRGKRZSA-N 2 2 277.372 -0.099 20 0 CBADLP OCC[N@H+](Cc1ccccc1)C[C@@]1(O)CC[NH+](CCO)C1 ZINC000639961970 357623789 /nfs/dbraw/zinc/62/37/89/357623789.db2.gz FYCKRKPGWUONEN-MRXNPFEDSA-N 2 2 294.395 -0.090 20 0 CBADLP OCC[N@@H+](Cc1ccccc1)C[C@@]1(O)CC[NH+](CCO)C1 ZINC000639961970 357623793 /nfs/dbraw/zinc/62/37/93/357623793.db2.gz FYCKRKPGWUONEN-MRXNPFEDSA-N 2 2 294.395 -0.090 20 0 CBADLP OCC[NH+](Cc1ccccc1)C[C@@]1(O)CC[N@H+](CCO)C1 ZINC000639961970 357623798 /nfs/dbraw/zinc/62/37/98/357623798.db2.gz FYCKRKPGWUONEN-MRXNPFEDSA-N 2 2 294.395 -0.090 20 0 CBADLP OCC[NH+](Cc1ccccc1)C[C@@]1(O)CC[N@@H+](CCO)C1 ZINC000639961970 357623802 /nfs/dbraw/zinc/62/38/02/357623802.db2.gz FYCKRKPGWUONEN-MRXNPFEDSA-N 2 2 294.395 -0.090 20 0 CBADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000639558861 357578680 /nfs/dbraw/zinc/57/86/80/357578680.db2.gz ISUDIGXDTDSWML-LLVKDONJSA-N 2 2 272.374 -0.285 20 0 CBADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000639558861 357578685 /nfs/dbraw/zinc/57/86/85/357578685.db2.gz ISUDIGXDTDSWML-LLVKDONJSA-N 2 2 272.374 -0.285 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](n2ccnn2)C1 ZINC000639706146 357586444 /nfs/dbraw/zinc/58/64/44/357586444.db2.gz ABXCGYPFDRLIQU-OLZOCXBDSA-N 2 2 283.376 -0.536 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](n2ccnn2)C1 ZINC000639706146 357586447 /nfs/dbraw/zinc/58/64/47/357586447.db2.gz ABXCGYPFDRLIQU-OLZOCXBDSA-N 2 2 283.376 -0.536 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](n2ccnn2)C1 ZINC000639706146 357586454 /nfs/dbraw/zinc/58/64/54/357586454.db2.gz ABXCGYPFDRLIQU-OLZOCXBDSA-N 2 2 283.376 -0.536 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](n2ccnn2)C1 ZINC000639706140 357586778 /nfs/dbraw/zinc/58/67/78/357586778.db2.gz ABXCGYPFDRLIQU-CHWSQXEVSA-N 2 2 283.376 -0.536 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](n2ccnn2)C1 ZINC000639706140 357586779 /nfs/dbraw/zinc/58/67/79/357586779.db2.gz ABXCGYPFDRLIQU-CHWSQXEVSA-N 2 2 283.376 -0.536 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](n2ccnn2)C1 ZINC000639706140 357586781 /nfs/dbraw/zinc/58/67/81/357586781.db2.gz ABXCGYPFDRLIQU-CHWSQXEVSA-N 2 2 283.376 -0.536 20 0 CBADLP Cn1c[nH+]cc1CC[NH+]1CCN(c2nc[nH]n2)CC1 ZINC000639732853 357590984 /nfs/dbraw/zinc/59/09/84/357590984.db2.gz VTLROEKLLDRZTH-UHFFFAOYSA-N 2 2 261.333 -0.097 20 0 CBADLP CN1CC(=O)N(CC[N@@H+]2CCC[C@](O)(C[NH+](C)C)C2)C1=O ZINC000639761683 357596270 /nfs/dbraw/zinc/59/62/70/357596270.db2.gz HVILCYUHJSDXDW-AWEZNQCLSA-N 2 2 298.387 -0.731 20 0 CBADLP CN1CC(=O)N(CC[N@H+]2CCC[C@](O)(C[NH+](C)C)C2)C1=O ZINC000639761683 357596275 /nfs/dbraw/zinc/59/62/75/357596275.db2.gz HVILCYUHJSDXDW-AWEZNQCLSA-N 2 2 298.387 -0.731 20 0 CBADLP C[NH+](C)C[C@@]1(O)CCC[N@H+](CCCS(N)(=O)=O)C1 ZINC000639763481 357596376 /nfs/dbraw/zinc/59/63/76/357596376.db2.gz QUABLTKIUNBRRS-NSHDSACASA-N 2 2 279.406 -0.947 20 0 CBADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CCCS(N)(=O)=O)C1 ZINC000639763481 357596377 /nfs/dbraw/zinc/59/63/77/357596377.db2.gz QUABLTKIUNBRRS-NSHDSACASA-N 2 2 279.406 -0.947 20 0 CBADLP CN1CCC[C@H]([N@@H+]2CCC[C@](O)(C[NH+](C)C)C2)C1=O ZINC000639769618 357597330 /nfs/dbraw/zinc/59/73/30/357597330.db2.gz ZLHKIEDZQNYRSG-JSGCOSHPSA-N 2 2 269.389 -0.004 20 0 CBADLP CN1CCC[C@H]([N@H+]2CCC[C@](O)(C[NH+](C)C)C2)C1=O ZINC000639769618 357597334 /nfs/dbraw/zinc/59/73/34/357597334.db2.gz ZLHKIEDZQNYRSG-JSGCOSHPSA-N 2 2 269.389 -0.004 20 0 CBADLP CN(C(=O)C[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1)C1CC1 ZINC000639767235 357597466 /nfs/dbraw/zinc/59/74/66/357597466.db2.gz QHMPGSGZQJTVHN-AWEZNQCLSA-N 2 2 269.389 -0.004 20 0 CBADLP CN(C(=O)C[N@H+]1CCC[C@](O)(C[NH+](C)C)C1)C1CC1 ZINC000639767235 357597468 /nfs/dbraw/zinc/59/74/68/357597468.db2.gz QHMPGSGZQJTVHN-AWEZNQCLSA-N 2 2 269.389 -0.004 20 0 CBADLP C[C@@H]1C[N@H+](CCN2CC[NH+](C)C[C@H]2CO)CCO1 ZINC000639869296 357614738 /nfs/dbraw/zinc/61/47/38/357614738.db2.gz BACMKIVDGYQQON-OLZOCXBDSA-N 2 2 257.378 -0.685 20 0 CBADLP C[C@@H]1C[N@@H+](CCN2CC[NH+](C)C[C@H]2CO)CCO1 ZINC000639869296 357614741 /nfs/dbraw/zinc/61/47/41/357614741.db2.gz BACMKIVDGYQQON-OLZOCXBDSA-N 2 2 257.378 -0.685 20 0 CBADLP C[C@@H]1C[NH+](CCN2CC[N@H+](C)C[C@H]2CO)CCO1 ZINC000639869296 357614743 /nfs/dbraw/zinc/61/47/43/357614743.db2.gz BACMKIVDGYQQON-OLZOCXBDSA-N 2 2 257.378 -0.685 20 0 CBADLP C[C@@H]1C[NH+](CCN2CC[N@@H+](C)C[C@H]2CO)CCO1 ZINC000639869296 357614745 /nfs/dbraw/zinc/61/47/45/357614745.db2.gz BACMKIVDGYQQON-OLZOCXBDSA-N 2 2 257.378 -0.685 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2C[C@H]3C[C@@]3(O)C2)CC1 ZINC000640480578 357656874 /nfs/dbraw/zinc/65/68/74/357656874.db2.gz VOYVXFGTZACFLT-OUCADQQQSA-N 2 2 267.373 -0.394 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2C[C@H]3C[C@@]3(O)C2)CC1 ZINC000640480578 357656878 /nfs/dbraw/zinc/65/68/78/357656878.db2.gz VOYVXFGTZACFLT-OUCADQQQSA-N 2 2 267.373 -0.394 20 0 CBADLP C[NH+]1CCN(C(=O)Cn2cc(Cn3cc[nH+]c3)nn2)CC1 ZINC000640837247 357666470 /nfs/dbraw/zinc/66/64/70/357666470.db2.gz MICVQNBMOYMAKK-UHFFFAOYSA-N 2 2 289.343 -0.703 20 0 CBADLP c1c(CN2CC[NH2+]CC2)nnn1CC[NH+]1CCOCC1 ZINC000641032464 357672222 /nfs/dbraw/zinc/67/22/22/357672222.db2.gz AVBYTGDAHPAWAG-UHFFFAOYSA-N 2 2 280.376 -0.985 20 0 CBADLP c1cn(CCCn2cc(CN3CC[NH2+]CC3)nn2)c[nH+]1 ZINC000641055553 357673721 /nfs/dbraw/zinc/67/37/21/357673721.db2.gz QGQOWEIPSUSJIY-UHFFFAOYSA-N 2 2 275.360 -0.030 20 0 CBADLP CN(CC(=O)N1CC[NH+](C)CC1)Cc1c[nH+]cn1C ZINC000640059099 357632495 /nfs/dbraw/zinc/63/24/95/357632495.db2.gz QRSPCEIPOMHCGX-UHFFFAOYSA-N 2 2 265.361 -0.374 20 0 CBADLP CCNC(=O)CC[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640057746 357633041 /nfs/dbraw/zinc/63/30/41/357633041.db2.gz AUJVZCLLPQUURO-UHFFFAOYSA-N 2 2 270.377 -0.782 20 0 CBADLP CCNC(=O)CC[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640057746 357633043 /nfs/dbraw/zinc/63/30/43/357633043.db2.gz AUJVZCLLPQUURO-UHFFFAOYSA-N 2 2 270.377 -0.782 20 0 CBADLP CO[C@H](C[N@H+](C)CC(=O)N1CC[NH+](C)CC1)[C@H]1CCOC1 ZINC000640064414 357634201 /nfs/dbraw/zinc/63/42/01/357634201.db2.gz VMLXJYKKPNDNOS-UONOGXRCSA-N 2 2 299.415 -0.256 20 0 CBADLP CO[C@H](C[N@@H+](C)CC(=O)N1CC[NH+](C)CC1)[C@H]1CCOC1 ZINC000640064414 357634204 /nfs/dbraw/zinc/63/42/04/357634204.db2.gz VMLXJYKKPNDNOS-UONOGXRCSA-N 2 2 299.415 -0.256 20 0 CBADLP C[N@H+](CCCN1CCOCC1)CC(=O)N1CC[NH+](C)CC1 ZINC000640060016 357634217 /nfs/dbraw/zinc/63/42/17/357634217.db2.gz WNMSOAZJZNWCSV-UHFFFAOYSA-N 2 2 298.431 -0.586 20 0 CBADLP C[N@@H+](CCCN1CCOCC1)CC(=O)N1CC[NH+](C)CC1 ZINC000640060016 357634221 /nfs/dbraw/zinc/63/42/21/357634221.db2.gz WNMSOAZJZNWCSV-UHFFFAOYSA-N 2 2 298.431 -0.586 20 0 CBADLP CN(CCC[NH+]1CCOCC1)CC(=O)N1CC[NH+](C)CC1 ZINC000640060016 357634223 /nfs/dbraw/zinc/63/42/23/357634223.db2.gz WNMSOAZJZNWCSV-UHFFFAOYSA-N 2 2 298.431 -0.586 20 0 CBADLP CNC(=O)NC[C@@H]1COCC[N@@H+]1CCn1cc[nH+]c1 ZINC000640104874 357635657 /nfs/dbraw/zinc/63/56/57/357635657.db2.gz NMRLOBHXPRFTAT-LLVKDONJSA-N 2 2 267.333 -0.487 20 0 CBADLP CNC(=O)NC[C@@H]1COCC[N@H+]1CCn1cc[nH+]c1 ZINC000640104874 357635660 /nfs/dbraw/zinc/63/56/60/357635660.db2.gz NMRLOBHXPRFTAT-LLVKDONJSA-N 2 2 267.333 -0.487 20 0 CBADLP C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)CCn3cc[nH+]c3)C[C@@H]21 ZINC000641523511 357719096 /nfs/dbraw/zinc/71/90/96/357719096.db2.gz NZTDLESGEBRMIX-NEPJUHHUSA-N 2 2 284.385 -0.151 20 0 CBADLP C[N@H+]1CC[C@@H]2CN(S(=O)(=O)CCn3cc[nH+]c3)C[C@@H]21 ZINC000641523511 357719097 /nfs/dbraw/zinc/71/90/97/357719097.db2.gz NZTDLESGEBRMIX-NEPJUHHUSA-N 2 2 284.385 -0.151 20 0 CBADLP CN(CC1C[NH+](C)C1)S(=O)(=O)CCn1cc[nH+]c1 ZINC000641607141 357728521 /nfs/dbraw/zinc/72/85/21/357728521.db2.gz NBCFDRHAYGJEKM-UHFFFAOYSA-N 2 2 272.374 -0.294 20 0 CBADLP O=S(=O)(CCn1cc[nH+]c1)NCC[NH+]1CCCC1 ZINC000641260481 357685696 /nfs/dbraw/zinc/68/56/96/357685696.db2.gz CSSKXTVEAUDNAH-UHFFFAOYSA-N 2 2 272.374 -0.102 20 0 CBADLP COCC[N@H+](C)CCNS(=O)(=O)CCn1cc[nH+]c1 ZINC000641444968 357706596 /nfs/dbraw/zinc/70/65/96/357706596.db2.gz VZJRDYGSTUTMRZ-UHFFFAOYSA-N 2 2 290.389 -0.619 20 0 CBADLP COCC[N@@H+](C)CCNS(=O)(=O)CCn1cc[nH+]c1 ZINC000641444968 357706600 /nfs/dbraw/zinc/70/66/00/357706600.db2.gz VZJRDYGSTUTMRZ-UHFFFAOYSA-N 2 2 290.389 -0.619 20 0 CBADLP O=S(=O)(CCn1cc[nH+]c1)N1CC[NH+]2CCC1CC2 ZINC000641449345 357707479 /nfs/dbraw/zinc/70/74/79/357707479.db2.gz LCIXDNMYFLRHLC-UHFFFAOYSA-N 2 2 284.385 -0.007 20 0 CBADLP C[NH+](C)CCN1CCN(c2cc(CO)cc[nH+]2)CC1=O ZINC000641650500 357733690 /nfs/dbraw/zinc/73/36/90/357733690.db2.gz RCQWOYCXEWWSQE-UHFFFAOYSA-N 2 2 278.356 -0.216 20 0 CBADLP CC[NH+](CC)CC[C@H](CO)[NH2+]Cc1cnnn1C ZINC000641771373 357741832 /nfs/dbraw/zinc/74/18/32/357741832.db2.gz GRPMLOMKPIQLFS-LLVKDONJSA-N 2 2 255.366 -0.003 20 0 CBADLP C[C@H](CC(N)=O)[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641786582 357741995 /nfs/dbraw/zinc/74/19/95/357741995.db2.gz LJCWHFRMCMSXDG-KGLIPLIRSA-N 2 2 298.431 -0.364 20 0 CBADLP C[NH+]1CCN(C(=O)CC[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)CC1 ZINC000641800845 357743299 /nfs/dbraw/zinc/74/32/99/357743299.db2.gz HEINCJWLTGMRBS-NEPJUHHUSA-N 3 2 268.405 -0.134 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)CC1 ZINC000643065048 357776736 /nfs/dbraw/zinc/77/67/36/357776736.db2.gz QWIUTAQJNSZWDK-UONOGXRCSA-N 3 2 280.416 -0.166 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)CC1 ZINC000643065048 357776738 /nfs/dbraw/zinc/77/67/38/357776738.db2.gz QWIUTAQJNSZWDK-UONOGXRCSA-N 3 2 280.416 -0.166 20 0 CBADLP [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC000642911596 357768886 /nfs/dbraw/zinc/76/88/86/357768886.db2.gz HNDDEZVXTLZXQW-NWDGAFQWSA-N 2 2 294.399 -0.321 20 0 CBADLP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000642985851 357774361 /nfs/dbraw/zinc/77/43/61/357774361.db2.gz DHPYDEMEPAFXTP-WCQYABFASA-N 2 2 294.399 -0.593 20 0 CBADLP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000642989675 357774378 /nfs/dbraw/zinc/77/43/78/357774378.db2.gz GCHZPEJMEXTVOL-YPMHNXCESA-N 2 2 294.399 -0.450 20 0 CBADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000642985850 357774471 /nfs/dbraw/zinc/77/44/71/357774471.db2.gz DHPYDEMEPAFXTP-DGCLKSJQSA-N 2 2 294.399 -0.593 20 0 CBADLP C[NH+]1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC000643590299 357791734 /nfs/dbraw/zinc/79/17/34/357791734.db2.gz LXPCSIQSGALZMW-TXEJJXNPSA-N 2 2 280.372 -0.887 20 0 CBADLP C[C@H]1CN(C(=O)C(=O)N2CC[NH+](C3CC3)CC2)[C@@H](C)C[NH2+]1 ZINC000643581102 357789795 /nfs/dbraw/zinc/78/97/95/357789795.db2.gz OKCVCHAMNLNNDV-RYUDHWBXSA-N 2 2 294.399 -0.498 20 0 CBADLP CNC(=O)NC(=O)CC[N@H+](C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435246969 283346067 /nfs/dbraw/zinc/34/60/67/283346067.db2.gz UPIONPWKRFFVHR-SNVBAGLBSA-N 2 2 254.334 -0.342 20 0 CBADLP CNC(=O)NC(=O)CC[N@@H+](C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435246969 283346069 /nfs/dbraw/zinc/34/60/69/283346069.db2.gz UPIONPWKRFFVHR-SNVBAGLBSA-N 2 2 254.334 -0.342 20 0 CBADLP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366485042 283364143 /nfs/dbraw/zinc/36/41/43/283364143.db2.gz VFSYIKBQLPZOBW-GXFFZTMASA-N 2 2 268.361 -0.142 20 0 CBADLP CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366485042 283364144 /nfs/dbraw/zinc/36/41/44/283364144.db2.gz VFSYIKBQLPZOBW-GXFFZTMASA-N 2 2 268.361 -0.142 20 0 CBADLP CNC(=O)NC(=O)[C@H](C)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000366485042 283364146 /nfs/dbraw/zinc/36/41/46/283364146.db2.gz VFSYIKBQLPZOBW-GXFFZTMASA-N 2 2 268.361 -0.142 20 0 CBADLP CNC(=O)NC(=O)[C@H](C)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000366485042 283364149 /nfs/dbraw/zinc/36/41/49/283364149.db2.gz VFSYIKBQLPZOBW-GXFFZTMASA-N 2 2 268.361 -0.142 20 0 CBADLP CCC[C@@H](CNC(=O)C[NH+](C)C)NC(=O)C[NH+](C)C ZINC000341777423 216097863 /nfs/dbraw/zinc/09/78/63/216097863.db2.gz AZKKYSGSALVRIB-NSHDSACASA-N 2 2 272.393 -0.489 20 0 CBADLP C[C@H]1OCC[N@H+](CC(=O)N2CC[NH+](C)CC2)[C@H]1C ZINC000093190777 291204406 /nfs/dbraw/zinc/20/44/06/291204406.db2.gz PYGDTDCYAXUSDA-NWDGAFQWSA-N 2 2 255.362 -0.130 20 0 CBADLP C[C@H]1OCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)[C@H]1C ZINC000093190777 291204408 /nfs/dbraw/zinc/20/44/08/291204408.db2.gz PYGDTDCYAXUSDA-NWDGAFQWSA-N 2 2 255.362 -0.130 20 0 CBADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCO[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000424181868 291210200 /nfs/dbraw/zinc/21/02/00/291210200.db2.gz DUTUBSHBLAKVSB-VOAKCMCISA-N 2 2 283.372 -0.705 20 0 CBADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCO[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000424181868 291210202 /nfs/dbraw/zinc/21/02/02/291210202.db2.gz DUTUBSHBLAKVSB-VOAKCMCISA-N 2 2 283.372 -0.705 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000357723724 296008904 /nfs/dbraw/zinc/00/89/04/296008904.db2.gz AUINDKCPMMBXGM-AAEUAGOBSA-N 2 2 281.360 -0.363 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000357723724 296008907 /nfs/dbraw/zinc/00/89/07/296008907.db2.gz AUINDKCPMMBXGM-AAEUAGOBSA-N 2 2 281.360 -0.363 20 0 CBADLP C[C@@H](CC(N)=O)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000341891126 216142117 /nfs/dbraw/zinc/14/21/17/216142117.db2.gz GZXGGVWAAQMSNG-UWVGGRQHSA-N 2 2 256.350 -0.820 20 0 CBADLP C[C@@H](CC(N)=O)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000341891126 216142119 /nfs/dbraw/zinc/14/21/19/216142119.db2.gz GZXGGVWAAQMSNG-UWVGGRQHSA-N 2 2 256.350 -0.820 20 0 CBADLP C[C@@H]([NH3+])C(=O)N(CC1CC1)C[C@H]1C[N@H+](C)CCO1 ZINC000423881711 296013987 /nfs/dbraw/zinc/01/39/87/296013987.db2.gz WPWOAHMKXLNSFU-ZYHUDNBSSA-N 2 2 255.362 -0.097 20 0 CBADLP C[C@@H]([NH3+])C(=O)N(CC1CC1)C[C@H]1C[N@@H+](C)CCO1 ZINC000423881711 296013988 /nfs/dbraw/zinc/01/39/88/296013988.db2.gz WPWOAHMKXLNSFU-ZYHUDNBSSA-N 2 2 255.362 -0.097 20 0 CBADLP C[C@@H]([NH3+])C(=O)N1CC[NH+](C2(C(N)=O)CCCC2)CC1 ZINC000376788759 296014233 /nfs/dbraw/zinc/01/42/33/296014233.db2.gz ARFHJSCZKAMYIV-SNVBAGLBSA-N 2 2 268.361 -0.724 20 0 CBADLP C[C@@H]([NH3+])C[C@@H](C)NC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000515299215 296020441 /nfs/dbraw/zinc/02/04/41/296020441.db2.gz SUCDSJCLBGGCSC-GHMZBOCLSA-N 2 2 299.419 -0.297 20 0 CBADLP COC(=O)CC[N@@H+]1CCN(CC[NH+]2CCOCC2)[C@H](C)C1 ZINC000342156832 216241961 /nfs/dbraw/zinc/24/19/61/216241961.db2.gz QCJGXICHEUVKKN-CQSZACIVSA-N 2 2 299.415 -0.112 20 0 CBADLP COC(=O)CC[N@H+]1CCN(CC[NH+]2CCOCC2)[C@H](C)C1 ZINC000342156832 216241964 /nfs/dbraw/zinc/24/19/64/216241964.db2.gz QCJGXICHEUVKKN-CQSZACIVSA-N 2 2 299.415 -0.112 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H](OCCO)C2)CC1 ZINC000180496323 189258936 /nfs/dbraw/zinc/25/89/36/189258936.db2.gz GDUTZKKDSVZVSO-ZDUSSCGKSA-N 2 2 285.388 -0.766 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H](OCCO)C2)CC1 ZINC000180496323 189258937 /nfs/dbraw/zinc/25/89/37/189258937.db2.gz GDUTZKKDSVZVSO-ZDUSSCGKSA-N 2 2 285.388 -0.766 20 0 CBADLP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N(C)CC[NH+]1CCOCC1 ZINC000342363688 216326763 /nfs/dbraw/zinc/32/67/63/216326763.db2.gz ADCCTRCDHOYXOY-QWHCGFSZSA-N 2 2 269.389 -0.025 20 0 CBADLP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)CC[NH+]1CCOCC1 ZINC000342363688 216326765 /nfs/dbraw/zinc/32/67/65/216326765.db2.gz ADCCTRCDHOYXOY-QWHCGFSZSA-N 2 2 269.389 -0.025 20 0 CBADLP CS(=O)(=O)N[C@@H]1CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000182787711 189335474 /nfs/dbraw/zinc/33/54/74/189335474.db2.gz BDKCQEPMGQHYDY-LLVKDONJSA-N 2 2 272.374 -0.103 20 0 CBADLP CS(=O)(=O)N[C@@H]1CC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000182787711 189335475 /nfs/dbraw/zinc/33/54/75/189335475.db2.gz BDKCQEPMGQHYDY-LLVKDONJSA-N 2 2 272.374 -0.103 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2CCO)CC1 ZINC000301904586 201254614 /nfs/dbraw/zinc/25/46/14/201254614.db2.gz BBKVADSOKIZWFA-GFCCVEGCSA-N 2 2 255.362 -0.393 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2CCO)CC1 ZINC000301904586 201254616 /nfs/dbraw/zinc/25/46/16/201254616.db2.gz BBKVADSOKIZWFA-GFCCVEGCSA-N 2 2 255.362 -0.393 20 0 CBADLP C[C@@H](NC(=O)C[N@H+](C)[C@@H]1CCC[NH2+]CC1)C(=O)N(C)C ZINC000435621218 296046832 /nfs/dbraw/zinc/04/68/32/296046832.db2.gz JTFYYZUDLSJGRG-VXGBXAGGSA-N 2 2 284.404 -0.347 20 0 CBADLP C[C@@H](NC(=O)C[N@@H+](C)[C@@H]1CCC[NH2+]CC1)C(=O)N(C)C ZINC000435621218 296046834 /nfs/dbraw/zinc/04/68/34/296046834.db2.gz JTFYYZUDLSJGRG-VXGBXAGGSA-N 2 2 284.404 -0.347 20 0 CBADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC000342519969 216382268 /nfs/dbraw/zinc/38/22/68/216382268.db2.gz ZSIXJDVWWLSYEP-MJBXVCDLSA-N 2 2 282.432 -0.064 20 0 CBADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC000342519969 216382271 /nfs/dbraw/zinc/38/22/71/216382271.db2.gz ZSIXJDVWWLSYEP-MJBXVCDLSA-N 2 2 282.432 -0.064 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000574318927 335009976 /nfs/dbraw/zinc/00/99/76/335009976.db2.gz JGGJOEPRZRXBBY-LBPRGKRZSA-N 2 2 284.404 -0.441 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000574318927 335009978 /nfs/dbraw/zinc/00/99/78/335009978.db2.gz JGGJOEPRZRXBBY-LBPRGKRZSA-N 2 2 284.404 -0.441 20 0 CBADLP CC[N@H+](C)C[C@H](O)CN1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000574336224 335011631 /nfs/dbraw/zinc/01/16/31/335011631.db2.gz LOVHPYXBGVRDPB-KKUMJFAQSA-N 2 2 285.432 -0.049 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000574336224 335011636 /nfs/dbraw/zinc/01/16/36/335011636.db2.gz LOVHPYXBGVRDPB-KKUMJFAQSA-N 2 2 285.432 -0.049 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000574336224 335011638 /nfs/dbraw/zinc/01/16/38/335011638.db2.gz LOVHPYXBGVRDPB-KKUMJFAQSA-N 2 2 285.432 -0.049 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000574336224 335011639 /nfs/dbraw/zinc/01/16/39/335011639.db2.gz LOVHPYXBGVRDPB-KKUMJFAQSA-N 2 2 285.432 -0.049 20 0 CBADLP COC(=O)[C@@](C)(O)C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000330729184 203162056 /nfs/dbraw/zinc/16/20/56/203162056.db2.gz HLFDKASYRUYSIF-JSGCOSHPSA-N 2 2 286.372 -0.436 20 0 CBADLP COC(=O)[C@@](C)(O)C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000330729184 203162058 /nfs/dbraw/zinc/16/20/58/203162058.db2.gz HLFDKASYRUYSIF-JSGCOSHPSA-N 2 2 286.372 -0.436 20 0 CBADLP O=C([C@H]1COCC[NH2+]1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000088372406 296138838 /nfs/dbraw/zinc/13/88/38/296138838.db2.gz WRKIRLFDLLXRMC-VXGBXAGGSA-N 2 2 253.346 -0.329 20 0 CBADLP C[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[N@@H+]1CCO ZINC000330785408 203232998 /nfs/dbraw/zinc/23/29/98/203232998.db2.gz TZKMOZFEQIHWOJ-NSHDSACASA-N 2 2 266.345 -0.133 20 0 CBADLP C[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[N@H+]1CCO ZINC000330785408 203233001 /nfs/dbraw/zinc/23/30/01/203233001.db2.gz TZKMOZFEQIHWOJ-NSHDSACASA-N 2 2 266.345 -0.133 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000276189053 193237165 /nfs/dbraw/zinc/23/71/65/193237165.db2.gz HQGUDDPRQTVNHC-NWDGAFQWSA-N 2 2 278.356 -0.108 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000276189053 193237167 /nfs/dbraw/zinc/23/71/67/193237167.db2.gz HQGUDDPRQTVNHC-NWDGAFQWSA-N 2 2 278.356 -0.108 20 0 CBADLP C[C@]1(F)C[NH2+]CCN(C(=O)NCC[NH+]2CCOCC2)C1 ZINC000331983850 204362030 /nfs/dbraw/zinc/36/20/30/204362030.db2.gz LPIPGQDYHXCFFK-ZDUSSCGKSA-N 2 2 288.367 -0.338 20 0 CBADLP CN(CCC[N@H+](C)Cc1n[nH]c(=O)[nH]1)CC[NH+](C)C ZINC000344076467 217040727 /nfs/dbraw/zinc/04/07/27/217040727.db2.gz VLTSKAWQMUWIDH-UHFFFAOYSA-N 2 2 270.381 -0.174 20 0 CBADLP CN(CCC[N@@H+](C)Cc1n[nH]c(=O)[nH]1)CC[NH+](C)C ZINC000344076467 217040729 /nfs/dbraw/zinc/04/07/29/217040729.db2.gz VLTSKAWQMUWIDH-UHFFFAOYSA-N 2 2 270.381 -0.174 20 0 CBADLP C[C@@H]1OCC[NH2+][C@@H]1C(=O)NCCCn1cc[nH+]c1 ZINC000344143093 217071334 /nfs/dbraw/zinc/07/13/34/217071334.db2.gz PEHLKTBLMKJMRE-QWRGUYRKSA-N 2 2 252.318 -0.234 20 0 CBADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCCC[NH+]1CCN(CCO)CC1 ZINC000344303846 217141345 /nfs/dbraw/zinc/14/13/45/217141345.db2.gz CMOZOPWLCUBHFD-JKSUJKDBSA-N 3 2 298.475 -0.084 20 0 CBADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCC[NH+]1CCN(CCO)CC1 ZINC000344303846 217141346 /nfs/dbraw/zinc/14/13/46/217141346.db2.gz CMOZOPWLCUBHFD-JKSUJKDBSA-N 3 2 298.475 -0.084 20 0 CBADLP C[C@@H]1OCC[NH2+][C@H]1C(=O)NCCCC[NH+]1CCOCC1 ZINC000344472467 217202635 /nfs/dbraw/zinc/20/26/35/217202635.db2.gz KBNJCKRMADBFFC-QWHCGFSZSA-N 2 2 285.388 -0.408 20 0 CBADLP Cc1ccn2cc(CNC(=O)[C@@H]([NH3+])CC(N)=O)[nH+]c2c1 ZINC000353434595 220079798 /nfs/dbraw/zinc/07/97/98/220079798.db2.gz CDIHPXKTYMGUFL-JTQLQIEISA-N 2 2 275.312 -0.538 20 0 CBADLP CO[C@H](C[NH3+])C(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000353426914 220075925 /nfs/dbraw/zinc/07/59/25/220075925.db2.gz KNSBDSSPMMOUSM-GFCCVEGCSA-N 2 2 281.360 -0.962 20 0 CBADLP CC[C@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000353425108 220076190 /nfs/dbraw/zinc/07/61/90/220076190.db2.gz IPKLPCOVGYXQON-NWDGAFQWSA-N 2 2 255.362 -0.489 20 0 CBADLP CC[C@@H](Cn1cncn1)[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000353427864 220077646 /nfs/dbraw/zinc/07/76/46/220077646.db2.gz PNNKYOAKKWCTHV-QWHCGFSZSA-N 2 2 266.393 -0.108 20 0 CBADLP CC[C@@H](Cn1cncn1)[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000353427864 220077650 /nfs/dbraw/zinc/07/76/50/220077650.db2.gz PNNKYOAKKWCTHV-QWHCGFSZSA-N 2 2 266.393 -0.108 20 0 CBADLP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+]([C@@H](C)C(N)=O)CC2)C1 ZINC000105845503 372783285 /nfs/dbraw/zinc/78/32/85/372783285.db2.gz RJRJBTGEUJLJFB-UONOGXRCSA-N 2 2 298.431 -0.413 20 0 CBADLP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+]([C@@H](C)C(N)=O)CC2)C1 ZINC000105845503 372783289 /nfs/dbraw/zinc/78/32/89/372783289.db2.gz RJRJBTGEUJLJFB-UONOGXRCSA-N 2 2 298.431 -0.413 20 0 CBADLP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)NCC[NH+]1CCOCC1 ZINC000333156720 205077366 /nfs/dbraw/zinc/07/73/66/205077366.db2.gz LGLKRCDRNLWOLG-NEPJUHHUSA-N 2 2 270.377 -0.242 20 0 CBADLP CC(C)(CNC(=O)N[C@@H]1CC[NH2+]C1)[NH+]1CCOCC1 ZINC000333159118 205078596 /nfs/dbraw/zinc/07/85/96/205078596.db2.gz GFBNDAPFVZHVLL-LLVKDONJSA-N 2 2 270.377 -0.242 20 0 CBADLP CC[N@H+](CC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)C1CC1 ZINC000133206165 372800183 /nfs/dbraw/zinc/80/01/83/372800183.db2.gz YDDLNTCVINQNGZ-AWEZNQCLSA-N 2 2 299.415 -0.378 20 0 CBADLP CC[N@@H+](CC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)C1CC1 ZINC000133206165 372800187 /nfs/dbraw/zinc/80/01/87/372800187.db2.gz YDDLNTCVINQNGZ-AWEZNQCLSA-N 2 2 299.415 -0.378 20 0 CBADLP COC(=O)CNC(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158915686 372817942 /nfs/dbraw/zinc/81/79/42/372817942.db2.gz YYZGEVRDAJSXJD-NEPJUHHUSA-N 2 2 283.372 -0.308 20 0 CBADLP COC(=O)CNC(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158915686 372817945 /nfs/dbraw/zinc/81/79/45/372817945.db2.gz YYZGEVRDAJSXJD-NEPJUHHUSA-N 2 2 283.372 -0.308 20 0 CBADLP COC(=O)CNC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158915686 372817950 /nfs/dbraw/zinc/81/79/50/372817950.db2.gz YYZGEVRDAJSXJD-NEPJUHHUSA-N 2 2 283.372 -0.308 20 0 CBADLP COC(=O)CNC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158915686 372817952 /nfs/dbraw/zinc/81/79/52/372817952.db2.gz YYZGEVRDAJSXJD-NEPJUHHUSA-N 2 2 283.372 -0.308 20 0 CBADLP CNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000162435551 372820072 /nfs/dbraw/zinc/82/00/72/372820072.db2.gz WUUQCRMPNQNDQN-LBPRGKRZSA-N 2 2 282.388 -0.639 20 0 CBADLP CNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000162435551 372820082 /nfs/dbraw/zinc/82/00/82/372820082.db2.gz WUUQCRMPNQNDQN-LBPRGKRZSA-N 2 2 282.388 -0.639 20 0 CBADLP CC(C)(O)C[NH+]1CCN(C(=O)NCCn2cc[nH+]c2)CC1 ZINC000176926408 372836252 /nfs/dbraw/zinc/83/62/52/372836252.db2.gz HAXJXUWUFSPKCA-UHFFFAOYSA-N 2 2 295.387 -0.019 20 0 CBADLP C[C@@H](CNC[C@@H](O)C[NH+]1CCOCC1)[N@H+](C)C1CC1 ZINC000218989423 372868532 /nfs/dbraw/zinc/86/85/32/372868532.db2.gz BAIFPOBWBAWDSM-GXTWGEPZSA-N 2 2 271.405 -0.248 20 0 CBADLP C[C@@H](CNC[C@@H](O)C[NH+]1CCOCC1)[N@@H+](C)C1CC1 ZINC000218989423 372868538 /nfs/dbraw/zinc/86/85/38/372868538.db2.gz BAIFPOBWBAWDSM-GXTWGEPZSA-N 2 2 271.405 -0.248 20 0 CBADLP CC(=O)N1CCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000194304947 372859598 /nfs/dbraw/zinc/85/95/98/372859598.db2.gz PIVDRWYBZHSWSM-UHFFFAOYSA-N 2 2 282.388 -0.685 20 0 CBADLP CC(=O)N1CCC[N@H+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000194304947 372859608 /nfs/dbraw/zinc/85/96/08/372859608.db2.gz PIVDRWYBZHSWSM-UHFFFAOYSA-N 2 2 282.388 -0.685 20 0 CBADLP CNC(=O)NC(=O)CC[N@@H+]1CC[C@@H](OC)C[C@H]1C[NH3+] ZINC000252784929 372897379 /nfs/dbraw/zinc/89/73/79/372897379.db2.gz YCKSLUFQGDFANG-VHSXEESVSA-N 2 2 272.349 -0.730 20 0 CBADLP CNC(=O)NC(=O)CC[N@H+]1CC[C@@H](OC)C[C@H]1C[NH3+] ZINC000252784929 372897385 /nfs/dbraw/zinc/89/73/85/372897385.db2.gz YCKSLUFQGDFANG-VHSXEESVSA-N 2 2 272.349 -0.730 20 0 CBADLP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)[C@@H](C)C1 ZINC000253203029 372899181 /nfs/dbraw/zinc/89/91/81/372899181.db2.gz FFGYNTFSTCHUDG-RWMBFGLXSA-N 2 2 285.388 -0.770 20 0 CBADLP C[C@H](O)C[N@H+]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)[C@@H](C)C1 ZINC000253203029 372899187 /nfs/dbraw/zinc/89/91/87/372899187.db2.gz FFGYNTFSTCHUDG-RWMBFGLXSA-N 2 2 285.388 -0.770 20 0 CBADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)[C@@H](C)C1 ZINC000253203029 372899192 /nfs/dbraw/zinc/89/91/92/372899192.db2.gz FFGYNTFSTCHUDG-RWMBFGLXSA-N 2 2 285.388 -0.770 20 0 CBADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)[C@@H](C)C1 ZINC000253203029 372899194 /nfs/dbraw/zinc/89/91/94/372899194.db2.gz FFGYNTFSTCHUDG-RWMBFGLXSA-N 2 2 285.388 -0.770 20 0 CBADLP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC000253203027 372899337 /nfs/dbraw/zinc/89/93/37/372899337.db2.gz FFGYNTFSTCHUDG-FRRDWIJNSA-N 2 2 285.388 -0.770 20 0 CBADLP C[C@H](O)C[N@H+]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC000253203027 372899342 /nfs/dbraw/zinc/89/93/42/372899342.db2.gz FFGYNTFSTCHUDG-FRRDWIJNSA-N 2 2 285.388 -0.770 20 0 CBADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)[C@H](C)C1 ZINC000253203027 372899345 /nfs/dbraw/zinc/89/93/45/372899345.db2.gz FFGYNTFSTCHUDG-FRRDWIJNSA-N 2 2 285.388 -0.770 20 0 CBADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)[C@H](C)C1 ZINC000253203027 372899348 /nfs/dbraw/zinc/89/93/48/372899348.db2.gz FFGYNTFSTCHUDG-FRRDWIJNSA-N 2 2 285.388 -0.770 20 0 CBADLP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)[C@@H](C)C1 ZINC000253203025 372899974 /nfs/dbraw/zinc/89/99/74/372899974.db2.gz FFGYNTFSTCHUDG-AVGNSLFASA-N 2 2 285.388 -0.770 20 0 CBADLP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)[C@@H](C)C1 ZINC000253203025 372899979 /nfs/dbraw/zinc/89/99/79/372899979.db2.gz FFGYNTFSTCHUDG-AVGNSLFASA-N 2 2 285.388 -0.770 20 0 CBADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)[C@@H](C)C1 ZINC000253203025 372899985 /nfs/dbraw/zinc/89/99/85/372899985.db2.gz FFGYNTFSTCHUDG-AVGNSLFASA-N 2 2 285.388 -0.770 20 0 CBADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)[C@@H](C)C1 ZINC000253203025 372899991 /nfs/dbraw/zinc/89/99/91/372899991.db2.gz FFGYNTFSTCHUDG-AVGNSLFASA-N 2 2 285.388 -0.770 20 0 CBADLP O=C(NC[C@@H]1C[NH2+]CCO1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000333321670 205216770 /nfs/dbraw/zinc/21/67/70/205216770.db2.gz UPTPACNWNUMRAA-UONOGXRCSA-N 2 2 297.399 -0.266 20 0 CBADLP O=C(NC[C@@H]1C[NH2+]CCO1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000333321670 205216774 /nfs/dbraw/zinc/21/67/74/205216774.db2.gz UPTPACNWNUMRAA-UONOGXRCSA-N 2 2 297.399 -0.266 20 0 CBADLP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261569170 372906042 /nfs/dbraw/zinc/90/60/42/372906042.db2.gz JOHUCBXYROMLHR-BXKDBHETSA-N 2 2 254.334 -0.484 20 0 CBADLP CNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261569170 372906050 /nfs/dbraw/zinc/90/60/50/372906050.db2.gz JOHUCBXYROMLHR-BXKDBHETSA-N 2 2 254.334 -0.484 20 0 CBADLP O=C(NC[C@H]1C[NH2+]CCO1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000333321672 205218804 /nfs/dbraw/zinc/21/88/04/205218804.db2.gz UPTPACNWNUMRAA-ZIAGYGMSSA-N 2 2 297.399 -0.266 20 0 CBADLP O=C(NC[C@H]1C[NH2+]CCO1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000333321672 205218808 /nfs/dbraw/zinc/21/88/08/205218808.db2.gz UPTPACNWNUMRAA-ZIAGYGMSSA-N 2 2 297.399 -0.266 20 0 CBADLP C[NH+](C)[C@H](CNC(=O)[C@@H]([NH3+])CC(N)=O)c1ccsc1 ZINC000353505518 220123687 /nfs/dbraw/zinc/12/36/87/220123687.db2.gz HCUHLOGISNVEKO-VHSXEESVSA-N 2 2 284.385 -0.330 20 0 CBADLP C[C@H]([C@H](C)NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)[NH+]1CCOCC1 ZINC000333370985 205263236 /nfs/dbraw/zinc/26/32/36/205263236.db2.gz MKIYLECBTSJDJC-RFQIPJPRSA-N 2 2 296.415 -0.044 20 0 CBADLP O=C(N[C@@H]1CC[NH2+]C1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000333677233 373011375 /nfs/dbraw/zinc/01/13/75/373011375.db2.gz OFPUHSAIECRJID-OLZOCXBDSA-N 2 2 282.388 -0.146 20 0 CBADLP CN1CCN(c2cc(N[C@@H]3CC[NH2+]C3)nc[nH+]2)CC1=O ZINC000333501208 373011783 /nfs/dbraw/zinc/01/17/83/373011783.db2.gz HTLGXQJTIULFDP-SNVBAGLBSA-N 2 2 276.344 -0.471 20 0 CBADLP C[C@H](NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@H](C)[NH+]1CCOCC1 ZINC000333462422 205340321 /nfs/dbraw/zinc/34/03/21/205340321.db2.gz ZHWVJWPJZPGXII-JZRPKSSGSA-N 2 2 282.388 -0.387 20 0 CBADLP COC(=O)[C@](C)(O)C[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000343789056 373053596 /nfs/dbraw/zinc/05/35/96/373053596.db2.gz HQSKAELHPSDRPJ-CQSZACIVSA-N 2 2 288.388 -0.311 20 0 CBADLP COC(=O)[C@](C)(O)C[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000343789056 373053603 /nfs/dbraw/zinc/05/36/03/373053603.db2.gz HQSKAELHPSDRPJ-CQSZACIVSA-N 2 2 288.388 -0.311 20 0 CBADLP CNC(=O)C[C@@H](C)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000341906107 373043633 /nfs/dbraw/zinc/04/36/33/373043633.db2.gz WSWWQVWUTBMIEA-GHMZBOCLSA-N 2 2 270.377 -0.560 20 0 CBADLP CNC(=O)C[C@@H](C)[NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000341906107 373043637 /nfs/dbraw/zinc/04/36/37/373043637.db2.gz WSWWQVWUTBMIEA-GHMZBOCLSA-N 2 2 270.377 -0.560 20 0 CBADLP COCC[N@H+](CC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000357288910 373168458 /nfs/dbraw/zinc/16/84/58/373168458.db2.gz AQEXHPWKFMXPFU-UHFFFAOYSA-N 2 2 255.362 -0.129 20 0 CBADLP COCC[N@@H+](CC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000357288910 373168468 /nfs/dbraw/zinc/16/84/68/373168468.db2.gz AQEXHPWKFMXPFU-UHFFFAOYSA-N 2 2 255.362 -0.129 20 0 CBADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3OCC[NH+](C)[C@H]3C2)C1 ZINC000354930710 373120843 /nfs/dbraw/zinc/12/08/43/373120843.db2.gz NGFHECDLXNRPFT-IHRRRGAJSA-N 2 2 297.399 -0.363 20 0 CBADLP CC(C)[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3OCC[NH+](C)[C@H]3C2)C1 ZINC000354930710 373120844 /nfs/dbraw/zinc/12/08/44/373120844.db2.gz NGFHECDLXNRPFT-IHRRRGAJSA-N 2 2 297.399 -0.363 20 0 CBADLP CC(C)[NH+]1CCO[C@H](C(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)C1 ZINC000354930710 373120849 /nfs/dbraw/zinc/12/08/49/373120849.db2.gz NGFHECDLXNRPFT-IHRRRGAJSA-N 2 2 297.399 -0.363 20 0 CBADLP CC(C)[NH+]1CCO[C@H](C(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)C1 ZINC000354930710 373120850 /nfs/dbraw/zinc/12/08/50/373120850.db2.gz NGFHECDLXNRPFT-IHRRRGAJSA-N 2 2 297.399 -0.363 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CCC[NH+]1C ZINC000355694966 373148199 /nfs/dbraw/zinc/14/81/99/373148199.db2.gz HCFWHZIFWWQITG-NEPJUHHUSA-N 2 2 255.362 -0.083 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CCC[NH+]1C ZINC000355694966 373148210 /nfs/dbraw/zinc/14/82/10/373148210.db2.gz HCFWHZIFWWQITG-NEPJUHHUSA-N 2 2 255.362 -0.083 20 0 CBADLP C[C@@H]1COCC[NH+]1CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000355694966 373148216 /nfs/dbraw/zinc/14/82/16/373148216.db2.gz HCFWHZIFWWQITG-NEPJUHHUSA-N 2 2 255.362 -0.083 20 0 CBADLP C[C@@H]1COCC[NH+]1CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC000355694966 373148223 /nfs/dbraw/zinc/14/82/23/373148223.db2.gz HCFWHZIFWWQITG-NEPJUHHUSA-N 2 2 255.362 -0.083 20 0 CBADLP COC[C@@H](C)NC(=O)NC(=O)C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360566081 373209994 /nfs/dbraw/zinc/20/99/94/373209994.db2.gz XDOUUAJYEVIFER-BXUZGUMPSA-N 2 2 298.387 -0.468 20 0 CBADLP COC[C@@H](C)NC(=O)NC(=O)C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360566081 373210003 /nfs/dbraw/zinc/21/00/03/373210003.db2.gz XDOUUAJYEVIFER-BXUZGUMPSA-N 2 2 298.387 -0.468 20 0 CBADLP CC[C@H]([NH3+])C(=O)N1CCC[N@H+](CC(=O)NC(C)C)CC1 ZINC000361718751 373329784 /nfs/dbraw/zinc/32/97/84/373329784.db2.gz QLEZYELQOFOLHS-LBPRGKRZSA-N 2 2 284.404 -0.217 20 0 CBADLP CC[C@H]([NH3+])C(=O)N1CCC[N@@H+](CC(=O)NC(C)C)CC1 ZINC000361718751 373329785 /nfs/dbraw/zinc/32/97/85/373329785.db2.gz QLEZYELQOFOLHS-LBPRGKRZSA-N 2 2 284.404 -0.217 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+]1CCN(C[C@@H]2C[NH+](C)CCO2)C[C@@H]1C ZINC000361754939 373332499 /nfs/dbraw/zinc/33/24/99/373332499.db2.gz IVSWGSOENNJZMN-MELADBBJSA-N 2 2 298.431 -0.413 20 0 CBADLP CC[C@H](C(N)=O)[N@H+]1CCN(C[C@@H]2C[NH+](C)CCO2)C[C@@H]1C ZINC000361754939 373332510 /nfs/dbraw/zinc/33/25/10/373332510.db2.gz IVSWGSOENNJZMN-MELADBBJSA-N 2 2 298.431 -0.413 20 0 CBADLP CC[C@H](C(N)=O)[NH+]1CCN(C[C@@H]2C[N@H+](C)CCO2)C[C@@H]1C ZINC000361754939 373332518 /nfs/dbraw/zinc/33/25/18/373332518.db2.gz IVSWGSOENNJZMN-MELADBBJSA-N 2 2 298.431 -0.413 20 0 CBADLP CC[C@H](C(N)=O)[NH+]1CCN(C[C@@H]2C[N@@H+](C)CCO2)C[C@@H]1C ZINC000361754939 373332523 /nfs/dbraw/zinc/33/25/23/373332523.db2.gz IVSWGSOENNJZMN-MELADBBJSA-N 2 2 298.431 -0.413 20 0 CBADLP CC[C@H](CNC(=O)C[NH+](C)C)NC(=O)C[NH+](C)C ZINC000362106560 373370435 /nfs/dbraw/zinc/37/04/35/373370435.db2.gz NSSMKCKCCRGRFP-SNVBAGLBSA-N 2 2 258.366 -0.879 20 0 CBADLP CC[C@@H](C)NC(=O)C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362831753 373453417 /nfs/dbraw/zinc/45/34/17/373453417.db2.gz SRIMMBKQVXEMMV-OLZOCXBDSA-N 2 2 296.415 -0.203 20 0 CBADLP CC[C@@H](C)NC(=O)C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362831753 373453421 /nfs/dbraw/zinc/45/34/21/373453421.db2.gz SRIMMBKQVXEMMV-OLZOCXBDSA-N 2 2 296.415 -0.203 20 0 CBADLP O=C1CCCN1CC[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362841240 373453990 /nfs/dbraw/zinc/45/39/90/373453990.db2.gz VPIGXNHMCSMIMZ-ZDUSSCGKSA-N 2 2 294.399 -0.495 20 0 CBADLP O=C1CCCN1CC[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362841240 373453997 /nfs/dbraw/zinc/45/39/97/373453997.db2.gz VPIGXNHMCSMIMZ-ZDUSSCGKSA-N 2 2 294.399 -0.495 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000362947876 373466434 /nfs/dbraw/zinc/46/64/34/373466434.db2.gz DLUDQRNPNGFJLM-RDBSUJKOSA-N 2 2 299.415 -0.664 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000362947876 373466439 /nfs/dbraw/zinc/46/64/39/373466439.db2.gz DLUDQRNPNGFJLM-RDBSUJKOSA-N 2 2 299.415 -0.664 20 0 CBADLP CS(=O)(=O)NCC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000363118201 373476986 /nfs/dbraw/zinc/47/69/86/373476986.db2.gz UIQCIBBQGPIDML-AGIUHOORSA-N 2 2 287.429 -0.048 20 0 CBADLP CS(=O)(=O)NCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000363118201 373476993 /nfs/dbraw/zinc/47/69/93/373476993.db2.gz UIQCIBBQGPIDML-AGIUHOORSA-N 2 2 287.429 -0.048 20 0 CBADLP CS(=O)(=O)NCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000363118201 373476999 /nfs/dbraw/zinc/47/69/99/373476999.db2.gz UIQCIBBQGPIDML-AGIUHOORSA-N 2 2 287.429 -0.048 20 0 CBADLP CS(=O)(=O)NCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000363118201 373477004 /nfs/dbraw/zinc/47/70/04/373477004.db2.gz UIQCIBBQGPIDML-AGIUHOORSA-N 2 2 287.429 -0.048 20 0 CBADLP Cc1cccn2cc(CNC(=O)[C@@H]([NH3+])CC(N)=O)[nH+]c12 ZINC000353625490 220202861 /nfs/dbraw/zinc/20/28/61/220202861.db2.gz AJFYDWRHNFOOQH-JTQLQIEISA-N 2 2 275.312 -0.538 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)N(C)CC[NH+]2CCOCC2)C1 ZINC000363261946 373484936 /nfs/dbraw/zinc/48/49/36/373484936.db2.gz STPPELBWMROQGS-CYBMUJFWSA-N 2 2 285.388 -0.502 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)N(C)CC[NH+]2CCOCC2)C1 ZINC000363261946 373484939 /nfs/dbraw/zinc/48/49/39/373484939.db2.gz STPPELBWMROQGS-CYBMUJFWSA-N 2 2 285.388 -0.502 20 0 CBADLP C[C@H](NC(N)=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369274913 373547508 /nfs/dbraw/zinc/54/75/08/373547508.db2.gz TXHCZAFRRUSMHT-WDEREUQCSA-N 2 2 297.403 -0.672 20 0 CBADLP C[C@H](NC(N)=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369274913 373547518 /nfs/dbraw/zinc/54/75/18/373547518.db2.gz TXHCZAFRRUSMHT-WDEREUQCSA-N 2 2 297.403 -0.672 20 0 CBADLP CC[C@H](C(=O)N1CCC[N@H+](CC(=O)NC)CC1)[NH+](C)C ZINC000370676965 373549715 /nfs/dbraw/zinc/54/97/15/373549715.db2.gz PQTJNGWLZIJWLC-GFCCVEGCSA-N 2 2 284.404 -0.393 20 0 CBADLP CC[C@H](C(=O)N1CCC[N@@H+](CC(=O)NC)CC1)[NH+](C)C ZINC000370676965 373549722 /nfs/dbraw/zinc/54/97/22/373549722.db2.gz PQTJNGWLZIJWLC-GFCCVEGCSA-N 2 2 284.404 -0.393 20 0 CBADLP C[C@@H]1OCC[C@]12C[N@H+](CC(=O)N1CC[NH+](C)CC1)CCO2 ZINC000375926067 373569600 /nfs/dbraw/zinc/56/96/00/373569600.db2.gz CZCFEHDGJOXLON-ZFWWWQNUSA-N 2 2 297.399 -0.360 20 0 CBADLP C[C@@H]1OCC[C@]12C[N@@H+](CC(=O)N1CC[NH+](C)CC1)CCO2 ZINC000375926067 373569603 /nfs/dbraw/zinc/56/96/03/373569603.db2.gz CZCFEHDGJOXLON-ZFWWWQNUSA-N 2 2 297.399 -0.360 20 0 CBADLP CC[N@@H+](CCO)CCNC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000376879147 373573553 /nfs/dbraw/zinc/57/35/53/373573553.db2.gz BFACIRYIEVESCN-UHFFFAOYSA-N 2 2 299.415 -0.328 20 0 CBADLP C[C@@H]1CN(C(=O)NCC(F)(F)C[NH3+])C[C@H](C)[N@H+]1CCO ZINC000418506701 373631094 /nfs/dbraw/zinc/63/10/94/373631094.db2.gz ACACFBFAGWIUSR-AOOOYVTPSA-N 2 2 294.346 -0.323 20 0 CBADLP C[C@@H]1CN(C(=O)NCC(F)(F)C[NH3+])C[C@H](C)[N@@H+]1CCO ZINC000418506701 373631102 /nfs/dbraw/zinc/63/11/02/373631102.db2.gz ACACFBFAGWIUSR-AOOOYVTPSA-N 2 2 294.346 -0.323 20 0 CBADLP C[N@@H+](CC(=O)NCC1CCCCC1)C[C@H](O)C[NH3+] ZINC000420351465 373649510 /nfs/dbraw/zinc/64/95/10/373649510.db2.gz KDXNNILPDVGTLD-GFCCVEGCSA-N 2 2 257.378 -0.066 20 0 CBADLP C[N@H+](CC(=O)NCC1CCCCC1)C[C@H](O)C[NH3+] ZINC000420351465 373649519 /nfs/dbraw/zinc/64/95/19/373649519.db2.gz KDXNNILPDVGTLD-GFCCVEGCSA-N 2 2 257.378 -0.066 20 0 CBADLP CNC(=O)NC(=O)C[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000420359746 373649669 /nfs/dbraw/zinc/64/96/69/373649669.db2.gz KSPBTEZMGTXALW-SNVBAGLBSA-N 2 2 256.350 -0.061 20 0 CBADLP O=C(N[C@H]1CC[NH2+]C1)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000422746857 373653185 /nfs/dbraw/zinc/65/31/85/373653185.db2.gz OOEYCEZTFRKJFQ-STQMWFEESA-N 2 2 267.373 -0.035 20 0 CBADLP O=C(N[C@H]1CC[NH2+]C1)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000422746857 373653199 /nfs/dbraw/zinc/65/31/99/373653199.db2.gz OOEYCEZTFRKJFQ-STQMWFEESA-N 2 2 267.373 -0.035 20 0 CBADLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)CN1CC[NH2+]CC1=O ZINC000431040419 373674878 /nfs/dbraw/zinc/67/48/78/373674878.db2.gz MANUAFBFZXGLGN-OLZOCXBDSA-N 2 2 296.415 -0.345 20 0 CBADLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)CN1CC[NH2+]CC1=O ZINC000431040419 373674883 /nfs/dbraw/zinc/67/48/83/373674883.db2.gz MANUAFBFZXGLGN-OLZOCXBDSA-N 2 2 296.415 -0.345 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000434876815 373677557 /nfs/dbraw/zinc/67/75/57/373677557.db2.gz KOXHYNHOJYEKBL-NWDGAFQWSA-N 2 2 287.429 -0.082 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000434876815 373677567 /nfs/dbraw/zinc/67/75/67/373677567.db2.gz KOXHYNHOJYEKBL-NWDGAFQWSA-N 2 2 287.429 -0.082 20 0 CBADLP C[C@@H]1CN(C(=O)/C=C/c2[nH]cc[nH+]2)CC[N@@H+]1CCO ZINC000493552729 373718926 /nfs/dbraw/zinc/71/89/26/373718926.db2.gz JYCGPLDNYRDBDH-KXMPLOMGSA-N 2 2 264.329 -0.052 20 0 CBADLP C[C@@H]1CN(C(=O)/C=C/c2[nH]cc[nH+]2)CC[N@H+]1CCO ZINC000493552729 373718939 /nfs/dbraw/zinc/71/89/39/373718939.db2.gz JYCGPLDNYRDBDH-KXMPLOMGSA-N 2 2 264.329 -0.052 20 0 CBADLP C[NH+]1CCN(CCNC(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000493595875 373722500 /nfs/dbraw/zinc/72/25/00/373722500.db2.gz JGPUNJCAPBPVRJ-IHWYPQMZSA-N 2 2 263.345 -0.214 20 0 CBADLP NC(=O)C[C@H]([NH3+])C(=O)NCCCNc1cccc[nH+]1 ZINC000353664390 220235736 /nfs/dbraw/zinc/23/57/36/220235736.db2.gz OHOCPWITJSFASJ-VIFPVBQESA-N 2 2 265.317 -0.798 20 0 CBADLP C[N@H+](C[C@@H](O)C[NH+]1CCC(N2CCNC2=O)CC1)C1CC1 ZINC000514588011 373755089 /nfs/dbraw/zinc/75/50/89/373755089.db2.gz POOQTVFLXDBQTM-CQSZACIVSA-N 2 2 296.415 -0.069 20 0 CBADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC(N2CCNC2=O)CC1)C1CC1 ZINC000514588011 373755099 /nfs/dbraw/zinc/75/50/99/373755099.db2.gz POOQTVFLXDBQTM-CQSZACIVSA-N 2 2 296.415 -0.069 20 0 CBADLP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)CN1CC[NH2+]CC1=O ZINC000514604950 373758358 /nfs/dbraw/zinc/75/83/58/373758358.db2.gz KBYWQWPXONLEGG-GFCCVEGCSA-N 2 2 282.388 -0.783 20 0 CBADLP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)CN1CC[NH2+]CC1=O ZINC000514604950 373758367 /nfs/dbraw/zinc/75/83/67/373758367.db2.gz KBYWQWPXONLEGG-GFCCVEGCSA-N 2 2 282.388 -0.783 20 0 CBADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCN(S(C)(=O)=O)C2)n1C ZINC000519835509 373828485 /nfs/dbraw/zinc/82/84/85/373828485.db2.gz XXMRCQOZGYTYDK-SNVBAGLBSA-N 2 2 272.374 -0.148 20 0 CBADLP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)CN1CC[NH2+]CC1=O ZINC000521040377 373836151 /nfs/dbraw/zinc/83/61/51/373836151.db2.gz CLEUJEZSVOOVQE-LBPRGKRZSA-N 2 2 296.415 -0.393 20 0 CBADLP CC[C@@H]([NH2+]CC(=O)N1CC[NH2+]CC1)[C@@H]1CCC[NH2+]1 ZINC000515345959 373783258 /nfs/dbraw/zinc/78/32/58/373783258.db2.gz COMMCTWDRVQZHO-NEPJUHHUSA-N 3 2 254.378 -0.462 20 0 CBADLP C[C@H](C(=O)NCC[N@@H+]1CCO[C@@H](C)C1)N1CC[NH+](C)CC1 ZINC000524300556 373881767 /nfs/dbraw/zinc/88/17/67/373881767.db2.gz YMIPRPCOCXMKJK-UONOGXRCSA-N 2 2 298.431 -0.541 20 0 CBADLP C[C@H](C(=O)NCC[N@H+]1CCO[C@@H](C)C1)N1CC[NH+](C)CC1 ZINC000524300556 373881777 /nfs/dbraw/zinc/88/17/77/373881777.db2.gz YMIPRPCOCXMKJK-UONOGXRCSA-N 2 2 298.431 -0.541 20 0 CBADLP CN1CC[N@H+](C)[C@H](CNC(=O)NCC[NH+](C)C2CC2)C1 ZINC000524299527 373882227 /nfs/dbraw/zinc/88/22/27/373882227.db2.gz UKGKRGLHIYMHBX-CYBMUJFWSA-N 2 2 283.420 -0.374 20 0 CBADLP CN1CC[N@@H+](C)[C@H](CNC(=O)NCC[NH+](C)C2CC2)C1 ZINC000524299527 373882233 /nfs/dbraw/zinc/88/22/33/373882233.db2.gz UKGKRGLHIYMHBX-CYBMUJFWSA-N 2 2 283.420 -0.374 20 0 CBADLP CN1CC[NH+](C)[C@H](CNC(=O)NCC[N@H+](C)C2CC2)C1 ZINC000524299527 373882238 /nfs/dbraw/zinc/88/22/38/373882238.db2.gz UKGKRGLHIYMHBX-CYBMUJFWSA-N 2 2 283.420 -0.374 20 0 CBADLP CN1CC[NH+](C)[C@H](CNC(=O)NCC[N@@H+](C)C2CC2)C1 ZINC000524299527 373882245 /nfs/dbraw/zinc/88/22/45/373882245.db2.gz UKGKRGLHIYMHBX-CYBMUJFWSA-N 2 2 283.420 -0.374 20 0 CBADLP C[NH+](C)CCn1ccc(C(=O)N2CC[NH+](CCO)CC2)n1 ZINC000521642152 373849073 /nfs/dbraw/zinc/84/90/73/373849073.db2.gz XAIABKSTXZBOTD-UHFFFAOYSA-N 2 2 295.387 -0.805 20 0 CBADLP C[C@@H]1C[C@H](C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])CCO1 ZINC000521999032 373855165 /nfs/dbraw/zinc/85/51/65/373855165.db2.gz VPXPXLHFRFTOKV-IJLUTSLNSA-N 2 2 255.362 -0.097 20 0 CBADLP C[C@@H]1C[C@H](C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])CCO1 ZINC000521999032 373855171 /nfs/dbraw/zinc/85/51/71/373855171.db2.gz VPXPXLHFRFTOKV-IJLUTSLNSA-N 2 2 255.362 -0.097 20 0 CBADLP CN1CC[N@H+](C)[C@@H](CNC(=O)NC[C@H]2CCC[NH+](C)C2)C1 ZINC000522102670 373862725 /nfs/dbraw/zinc/86/27/25/373862725.db2.gz RJPGIHHWAWBYHK-KGLIPLIRSA-N 2 2 297.447 -0.127 20 0 CBADLP CN1CC[N@@H+](C)[C@@H](CNC(=O)NC[C@H]2CCC[NH+](C)C2)C1 ZINC000522102670 373862732 /nfs/dbraw/zinc/86/27/32/373862732.db2.gz RJPGIHHWAWBYHK-KGLIPLIRSA-N 2 2 297.447 -0.127 20 0 CBADLP CN1CC[NH+](C)[C@@H](CNC(=O)NC[C@H]2CCC[N@H+](C)C2)C1 ZINC000522102670 373862736 /nfs/dbraw/zinc/86/27/36/373862736.db2.gz RJPGIHHWAWBYHK-KGLIPLIRSA-N 2 2 297.447 -0.127 20 0 CBADLP CN1CC[NH+](C)[C@@H](CNC(=O)NC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000522102670 373862740 /nfs/dbraw/zinc/86/27/40/373862740.db2.gz RJPGIHHWAWBYHK-KGLIPLIRSA-N 2 2 297.447 -0.127 20 0 CBADLP CC(C)N1CCC[C@H]([N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C1=O ZINC000574465346 335022287 /nfs/dbraw/zinc/02/22/87/335022287.db2.gz KZHPQDSHKLMXEE-AVGNSLFASA-N 2 2 294.399 -0.370 20 0 CBADLP CC(C)N1CCC[C@H]([N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C1=O ZINC000574465346 335022289 /nfs/dbraw/zinc/02/22/89/335022289.db2.gz KZHPQDSHKLMXEE-AVGNSLFASA-N 2 2 294.399 -0.370 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000529282375 373997500 /nfs/dbraw/zinc/99/75/00/373997500.db2.gz FLGVEIAUFKTIMY-CYBMUJFWSA-N 2 2 277.372 -0.302 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000529282375 373997503 /nfs/dbraw/zinc/99/75/03/373997503.db2.gz FLGVEIAUFKTIMY-CYBMUJFWSA-N 2 2 277.372 -0.302 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N1CC[NH+](CC[S@](C)=O)CC1 ZINC000528645212 373972738 /nfs/dbraw/zinc/97/27/38/373972738.db2.gz ZIJQNZRHXMBZIQ-FQEVSTJZSA-N 2 2 298.412 -0.286 20 0 CBADLP CNC(=O)NC[C@H]1C[N@H+](C[C@H]2CCC[NH2+]C2)CCO1 ZINC000530232347 374068892 /nfs/dbraw/zinc/06/88/92/374068892.db2.gz YMRSRTHFHBKXKA-RYUDHWBXSA-N 2 2 270.377 -0.384 20 0 CBADLP CNC(=O)NC[C@H]1C[N@@H+](C[C@H]2CCC[NH2+]C2)CCO1 ZINC000530232347 374068901 /nfs/dbraw/zinc/06/89/01/374068901.db2.gz YMRSRTHFHBKXKA-RYUDHWBXSA-N 2 2 270.377 -0.384 20 0 CBADLP CN1CCC[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)C1=O ZINC000530230646 374068971 /nfs/dbraw/zinc/06/89/71/374068971.db2.gz BWTYNZPCOGETNA-NEPJUHHUSA-N 2 2 255.362 -0.347 20 0 CBADLP CC[NH+]1CCN(C(=O)CNC(=O)Cn2c[nH+]cc2C)CC1 ZINC000530266078 374072361 /nfs/dbraw/zinc/07/23/61/374072361.db2.gz JNZYQWAVHYHXAG-UHFFFAOYSA-N 2 2 293.371 -0.528 20 0 CBADLP C[N@@H+]1CC[C@@H](C(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)C1 ZINC000531115909 374117538 /nfs/dbraw/zinc/11/75/38/374117538.db2.gz VRQNYFWUTXQHKJ-LLVKDONJSA-N 2 2 282.388 -0.654 20 0 CBADLP C[N@H+]1CC[C@@H](C(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)C1 ZINC000531115909 374117542 /nfs/dbraw/zinc/11/75/42/374117542.db2.gz VRQNYFWUTXQHKJ-LLVKDONJSA-N 2 2 282.388 -0.654 20 0 CBADLP C[C@@H]1C[N@@H+](CCC[NH2+]CCC(=O)NC(N)=O)C[C@H](C)O1 ZINC000548832261 374217627 /nfs/dbraw/zinc/21/76/27/374217627.db2.gz UVQLVGGUVNECKF-PHIMTYICSA-N 2 2 286.376 -0.340 20 0 CBADLP C[C@@H]1C[N@H+](CCC[NH2+]CCC(=O)NC(N)=O)C[C@H](C)O1 ZINC000548832261 374217634 /nfs/dbraw/zinc/21/76/34/374217634.db2.gz UVQLVGGUVNECKF-PHIMTYICSA-N 2 2 286.376 -0.340 20 0 CBADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000550259900 374234631 /nfs/dbraw/zinc/23/46/31/374234631.db2.gz YFTHLCNLOLEVFK-LLVKDONJSA-N 2 2 291.355 -0.832 20 0 CBADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000550259900 374234635 /nfs/dbraw/zinc/23/46/35/374234635.db2.gz YFTHLCNLOLEVFK-LLVKDONJSA-N 2 2 291.355 -0.832 20 0 CBADLP CN(C)C(=O)[C@@H]1CC[C@@H](C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)O1 ZINC000566673632 374331943 /nfs/dbraw/zinc/33/19/43/374331943.db2.gz UVHBQXIJICEXRO-RDBSUJKOSA-N 2 2 299.415 -0.333 20 0 CBADLP CN(C)C(=O)[C@@H]1CC[C@@H](C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)O1 ZINC000566673632 374331951 /nfs/dbraw/zinc/33/19/51/374331951.db2.gz UVHBQXIJICEXRO-RDBSUJKOSA-N 2 2 299.415 -0.333 20 0 CBADLP CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000567180252 374333678 /nfs/dbraw/zinc/33/36/78/374333678.db2.gz DEIMWBUAKKHLND-YFKTTZPYSA-N 2 2 282.388 -0.467 20 0 CBADLP CC[C@H](C)NC(=O)[C@H](C)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000567180252 374333683 /nfs/dbraw/zinc/33/36/83/374333683.db2.gz DEIMWBUAKKHLND-YFKTTZPYSA-N 2 2 282.388 -0.467 20 0 CBADLP CN(Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000583333869 374360920 /nfs/dbraw/zinc/36/09/20/374360920.db2.gz IORGJKAOWSQWJJ-NSHDSACASA-N 2 2 266.349 -0.545 20 0 CBADLP CN(Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000583333869 374360928 /nfs/dbraw/zinc/36/09/28/374360928.db2.gz IORGJKAOWSQWJJ-NSHDSACASA-N 2 2 266.349 -0.545 20 0 CBADLP CNS(=O)(=O)[C@@H]1CC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000583753352 374364729 /nfs/dbraw/zinc/36/47/29/374364729.db2.gz XBTZSQYYXBVYNN-MNOVXSKESA-N 2 2 261.391 -0.391 20 0 CBADLP CNS(=O)(=O)[C@@H]1CC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000583753352 374364736 /nfs/dbraw/zinc/36/47/36/374364736.db2.gz XBTZSQYYXBVYNN-MNOVXSKESA-N 2 2 261.391 -0.391 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)CCOC2C[NH2+]C2)CCO1 ZINC000583814715 374368876 /nfs/dbraw/zinc/36/88/76/374368876.db2.gz JBSMNRBKPYTYBF-LLVKDONJSA-N 2 2 271.361 -0.798 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)CCOC2C[NH2+]C2)CCO1 ZINC000583814715 374368885 /nfs/dbraw/zinc/36/88/85/374368885.db2.gz JBSMNRBKPYTYBF-LLVKDONJSA-N 2 2 271.361 -0.798 20 0 CBADLP COC[C@@]1(C(N)=O)CCC[N@@H+]1CCc1c[nH+]cn1C ZINC000643823079 374445363 /nfs/dbraw/zinc/44/53/63/374445363.db2.gz JIWZXWINDLYZTO-CYBMUJFWSA-N 2 2 266.345 -0.071 20 0 CBADLP COC[C@@]1(C(N)=O)CCC[N@H+]1CCc1c[nH+]cn1C ZINC000643823079 374445365 /nfs/dbraw/zinc/44/53/65/374445365.db2.gz JIWZXWINDLYZTO-CYBMUJFWSA-N 2 2 266.345 -0.071 20 0 CBADLP O=C1NCCN1CC[NH2+][C@@H]1CCC[C@@H]1[N@@H+]1CC[C@@H](O)C1 ZINC000643959657 374462575 /nfs/dbraw/zinc/46/25/75/374462575.db2.gz BJLFKZPVXFZRCT-UPJWGTAASA-N 2 2 282.388 -0.411 20 0 CBADLP O=C1NCCN1CC[NH2+][C@@H]1CCC[C@@H]1[N@H+]1CC[C@@H](O)C1 ZINC000643959657 374462577 /nfs/dbraw/zinc/46/25/77/374462577.db2.gz BJLFKZPVXFZRCT-UPJWGTAASA-N 2 2 282.388 -0.411 20 0 CBADLP COCCN1CC[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000644554024 374592425 /nfs/dbraw/zinc/59/24/25/374592425.db2.gz FMYCYTITOFWGIG-OCCSQVGLSA-N 2 2 271.405 -0.248 20 0 CBADLP COCCN1CC[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000644554024 374592430 /nfs/dbraw/zinc/59/24/30/374592430.db2.gz FMYCYTITOFWGIG-OCCSQVGLSA-N 2 2 271.405 -0.248 20 0 CBADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000644548884 374593406 /nfs/dbraw/zinc/59/34/06/374593406.db2.gz UHKGZQNYNMNYBY-HIFRSBDPSA-N 3 2 284.448 -0.333 20 0 CBADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000644548884 374593411 /nfs/dbraw/zinc/59/34/11/374593411.db2.gz UHKGZQNYNMNYBY-HIFRSBDPSA-N 3 2 284.448 -0.333 20 0 CBADLP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CC(=O)N(C2CC2)C1)C1CC1 ZINC000644583500 374598470 /nfs/dbraw/zinc/59/84/70/374598470.db2.gz JYKLQDDITXNTDI-ZWNOBZJWSA-N 2 2 267.373 -0.206 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CC(=O)N(C2CC2)C1)C1CC1 ZINC000644583500 374598473 /nfs/dbraw/zinc/59/84/73/374598473.db2.gz JYKLQDDITXNTDI-ZWNOBZJWSA-N 2 2 267.373 -0.206 20 0 CBADLP [NH3+]CCOCC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000645376834 374664845 /nfs/dbraw/zinc/66/48/45/374664845.db2.gz ZYWCQSNXDHXWFU-UHFFFAOYSA-N 2 2 266.345 -0.147 20 0 CBADLP C[NH+](C)C[C@H](CO)NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000646212093 374757997 /nfs/dbraw/zinc/75/79/97/374757997.db2.gz OPPNUSGVSVWXEW-OCCSQVGLSA-N 2 2 299.415 -0.332 20 0 CBADLP C[NH+](C)C[C@H](CO)NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000646212093 374758002 /nfs/dbraw/zinc/75/80/02/374758002.db2.gz OPPNUSGVSVWXEW-OCCSQVGLSA-N 2 2 299.415 -0.332 20 0 CBADLP C[C@@H](NC(=O)COCC[NH3+])[C@@H](C)[NH+]1CCOCC1 ZINC000645937259 374714515 /nfs/dbraw/zinc/71/45/15/374714515.db2.gz CMBUCRGNEXEPKD-GHMZBOCLSA-N 2 2 259.350 -0.813 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000645953329 374717185 /nfs/dbraw/zinc/71/71/85/374717185.db2.gz PYAKYOLNXQEIMA-LBPRGKRZSA-N 2 2 280.372 -0.981 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000645953329 374717193 /nfs/dbraw/zinc/71/71/93/374717193.db2.gz PYAKYOLNXQEIMA-LBPRGKRZSA-N 2 2 280.372 -0.981 20 0 CBADLP C[NH2+]CCC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000645977494 374720781 /nfs/dbraw/zinc/72/07/81/374720781.db2.gz CYUQIMADFFRENG-GFCCVEGCSA-N 3 2 268.405 -0.119 20 0 CBADLP C[NH2+]CCC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000645977494 374720785 /nfs/dbraw/zinc/72/07/85/374720785.db2.gz CYUQIMADFFRENG-GFCCVEGCSA-N 3 2 268.405 -0.119 20 0 CBADLP COCC[NH2+]CC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000645978114 374721461 /nfs/dbraw/zinc/72/14/61/374721461.db2.gz SEPFVSBMSBJIKZ-ZDUSSCGKSA-N 3 2 298.431 -0.493 20 0 CBADLP COCC[NH2+]CC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000645978114 374721467 /nfs/dbraw/zinc/72/14/67/374721467.db2.gz SEPFVSBMSBJIKZ-ZDUSSCGKSA-N 3 2 298.431 -0.493 20 0 CBADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)CN1CC[NH2+]CC1=O ZINC000646012084 374727772 /nfs/dbraw/zinc/72/77/72/374727772.db2.gz FVZUZTNUNAJBCD-LBPRGKRZSA-N 2 2 282.388 -0.591 20 0 CBADLP CCC(=O)N[C@@H](C)C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000646836302 374823811 /nfs/dbraw/zinc/82/38/11/374823811.db2.gz LUZOHHGRFMTUOX-VHSXEESVSA-N 2 2 256.350 -0.998 20 0 CBADLP CCC(=O)N[C@@H](C)C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000646836302 374823815 /nfs/dbraw/zinc/82/38/15/374823815.db2.gz LUZOHHGRFMTUOX-VHSXEESVSA-N 2 2 256.350 -0.998 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000646314423 374769798 /nfs/dbraw/zinc/76/97/98/374769798.db2.gz FQHWTKBQOBTMCM-OAHLLOKOSA-N 2 2 296.415 -0.345 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000646314423 374769802 /nfs/dbraw/zinc/76/98/02/374769802.db2.gz FQHWTKBQOBTMCM-OAHLLOKOSA-N 2 2 296.415 -0.345 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000646370774 374773550 /nfs/dbraw/zinc/77/35/50/374773550.db2.gz HRXNIYWJSGKPJW-CHWSQXEVSA-N 2 2 296.415 -0.347 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000646370774 374773557 /nfs/dbraw/zinc/77/35/57/374773557.db2.gz HRXNIYWJSGKPJW-CHWSQXEVSA-N 2 2 296.415 -0.347 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@H](C(C)C)[C@@H](C)[NH3+])CC1 ZINC000646408889 374776546 /nfs/dbraw/zinc/77/65/46/374776546.db2.gz QSWPLDRMJVQTTH-TZMCWYRMSA-N 2 2 298.431 -0.114 20 0 CBADLP O=C(NCC1C[NH2+]C1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000646902406 374835691 /nfs/dbraw/zinc/83/56/91/374835691.db2.gz CZLSWJJGGSKGEA-ZDUSSCGKSA-N 2 2 267.373 -0.035 20 0 CBADLP O=C(NCC1C[NH2+]C1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000646902406 374835695 /nfs/dbraw/zinc/83/56/95/374835695.db2.gz CZLSWJJGGSKGEA-ZDUSSCGKSA-N 2 2 267.373 -0.035 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000646902413 374835813 /nfs/dbraw/zinc/83/58/13/374835813.db2.gz DJDSNTUCRZIEPJ-LLVKDONJSA-N 2 2 270.377 -0.704 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000646902413 374835818 /nfs/dbraw/zinc/83/58/18/374835818.db2.gz DJDSNTUCRZIEPJ-LLVKDONJSA-N 2 2 270.377 -0.704 20 0 CBADLP C[NH+](C)C[C@@](C)(O)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000646937294 374843653 /nfs/dbraw/zinc/84/36/53/374843653.db2.gz JIGAUNPIJFIESP-RISCZKNCSA-N 2 2 280.372 -0.126 20 0 CBADLP O=C(NCC[N@@H+]1CCc2sccc2C1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000262361270 190053395 /nfs/dbraw/zinc/05/33/95/190053395.db2.gz IPJYTUPHMSWWKQ-NWDGAFQWSA-N 2 2 295.408 -0.055 20 0 CBADLP O=C(NCC[N@H+]1CCc2sccc2C1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000262361270 190053396 /nfs/dbraw/zinc/05/33/96/190053396.db2.gz IPJYTUPHMSWWKQ-NWDGAFQWSA-N 2 2 295.408 -0.055 20 0 CBADLP O=C([C@H]1COCC[NH2+]1)N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000372103569 284577210 /nfs/dbraw/zinc/57/72/10/284577210.db2.gz VHZSNOQXMNHRPT-NWDGAFQWSA-N 2 2 285.413 -0.376 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000264325035 190103597 /nfs/dbraw/zinc/10/35/97/190103597.db2.gz QUGCCFUTQFMWEB-VXGBXAGGSA-N 2 2 281.360 -0.099 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000264325035 190103598 /nfs/dbraw/zinc/10/35/98/190103598.db2.gz QUGCCFUTQFMWEB-VXGBXAGGSA-N 2 2 281.360 -0.099 20 0 CBADLP O=C([C@H]1C[C@H](F)C[NH2+]1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000188733054 284587440 /nfs/dbraw/zinc/58/74/40/284587440.db2.gz IJZSXJTWJXHLBB-SDDRHHMPSA-N 2 2 271.336 -0.381 20 0 CBADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](C[C@@H](C)O)CC2)C1 ZINC000356469359 248253631 /nfs/dbraw/zinc/25/36/31/248253631.db2.gz XZLAAXZCTDLPJA-ZIAGYGMSSA-N 2 2 299.415 -0.379 20 0 CBADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](C[C@@H](C)O)CC2)C1 ZINC000356469359 248253636 /nfs/dbraw/zinc/25/36/36/248253636.db2.gz XZLAAXZCTDLPJA-ZIAGYGMSSA-N 2 2 299.415 -0.379 20 0 CBADLP CCC1(O)CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000357331273 248350714 /nfs/dbraw/zinc/35/07/14/248350714.db2.gz ITCDAAQSQYTGFL-UHFFFAOYSA-N 2 2 269.389 -0.003 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000357510167 248374075 /nfs/dbraw/zinc/37/40/75/248374075.db2.gz CHDWBYDRUJWPBT-KBPBESRZSA-N 2 2 299.415 -0.114 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000357510167 248374080 /nfs/dbraw/zinc/37/40/80/248374080.db2.gz CHDWBYDRUJWPBT-KBPBESRZSA-N 2 2 299.415 -0.114 20 0 CBADLP O=C(NCCCN1CC[NH2+]CC1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000368649237 248769134 /nfs/dbraw/zinc/76/91/34/248769134.db2.gz BMTSHVLSQYAMIE-SNVBAGLBSA-N 2 2 276.331 -0.605 20 0 CBADLP C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(CC(C)(C)[NH3+])CC1 ZINC000346847543 218033828 /nfs/dbraw/zinc/03/38/28/218033828.db2.gz CVSHUCYOYDVFRV-ZDUSSCGKSA-N 2 2 298.431 -0.411 20 0 CBADLP COCCNC(=O)C[NH+]1CCN(CC(C)(C)[NH3+])CC1 ZINC000346855798 218038365 /nfs/dbraw/zinc/03/83/65/218038365.db2.gz VSQZURWKXJMXBB-UHFFFAOYSA-N 2 2 272.393 -0.896 20 0 CBADLP CN(C)c1nccc(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)n1 ZINC000346997155 218085430 /nfs/dbraw/zinc/08/54/30/218085430.db2.gz CKQVHBYPTWLRFZ-UHFFFAOYSA-N 2 2 292.387 -0.594 20 0 CBADLP CN(C)c1nccc(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)n1 ZINC000346997155 218085432 /nfs/dbraw/zinc/08/54/32/218085432.db2.gz CKQVHBYPTWLRFZ-UHFFFAOYSA-N 2 2 292.387 -0.594 20 0 CBADLP C[C@@H](O)C(=O)N1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000346999674 218086345 /nfs/dbraw/zinc/08/63/45/218086345.db2.gz YWELMNIHBQVCLQ-VXGBXAGGSA-N 2 2 255.362 -0.489 20 0 CBADLP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1cnc2cnccn12 ZINC000347115374 218126818 /nfs/dbraw/zinc/12/68/18/218126818.db2.gz UNZIHNIOPSWUGA-UHFFFAOYSA-N 2 2 288.355 -0.407 20 0 CBADLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1cnc2cnccn12 ZINC000347115374 218126820 /nfs/dbraw/zinc/12/68/20/218126820.db2.gz UNZIHNIOPSWUGA-UHFFFAOYSA-N 2 2 288.355 -0.407 20 0 CBADLP O[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C[C@@H]1O ZINC000278772422 194149192 /nfs/dbraw/zinc/14/91/92/194149192.db2.gz NFZLKAPUROLIJN-TXEJJXNPSA-N 2 2 260.297 -0.195 20 0 CBADLP O[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C[C@@H]1O ZINC000278772422 194149194 /nfs/dbraw/zinc/14/91/94/194149194.db2.gz NFZLKAPUROLIJN-TXEJJXNPSA-N 2 2 260.297 -0.195 20 0 CBADLP C[C@H]([NH3+])C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000347480363 218250893 /nfs/dbraw/zinc/25/08/93/218250893.db2.gz QPYNZBDZHGOLEK-JTQLQIEISA-N 2 2 264.329 -0.118 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[NH+](CCO)CC1 ZINC000347733105 218338044 /nfs/dbraw/zinc/33/80/44/218338044.db2.gz ZZYCITLBWAWCFR-CYBMUJFWSA-N 2 2 285.388 -0.909 20 0 CBADLP CC[N@H+](CCO)CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000347794771 218358966 /nfs/dbraw/zinc/35/89/66/218358966.db2.gz PARZFDCLENOOKO-GFCCVEGCSA-N 2 2 280.372 -0.124 20 0 CBADLP CC[N@@H+](CCO)CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000347794771 218358967 /nfs/dbraw/zinc/35/89/67/218358967.db2.gz PARZFDCLENOOKO-GFCCVEGCSA-N 2 2 280.372 -0.124 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@@H](C)[NH2+]C2CC2)CC1 ZINC000574755032 335044913 /nfs/dbraw/zinc/04/49/13/335044913.db2.gz UAGDJRSFOFSAOR-LLVKDONJSA-N 2 2 282.388 -0.593 20 0 CBADLP CC[NH+]1CCC([N@H+](C)CC(=O)NC(=O)NC)CC1 ZINC000077249895 207361858 /nfs/dbraw/zinc/36/18/58/207361858.db2.gz PEUIUJXMPCODJQ-UHFFFAOYSA-N 2 2 256.350 -0.142 20 0 CBADLP CC[NH+]1CCC([N@@H+](C)CC(=O)NC(=O)NC)CC1 ZINC000077249895 207361864 /nfs/dbraw/zinc/36/18/64/207361864.db2.gz PEUIUJXMPCODJQ-UHFFFAOYSA-N 2 2 256.350 -0.142 20 0 CBADLP C[C@@H]1C[C@H]([NH+](C)CCN2C(=O)CNC2=O)CC[N@@H+]1C ZINC000123784508 207369275 /nfs/dbraw/zinc/36/92/75/207369275.db2.gz AQGPMFFEXXTUIA-GHMZBOCLSA-N 2 2 268.361 -0.047 20 0 CBADLP C[C@@H]1C[C@H]([NH+](C)CCN2C(=O)CNC2=O)CC[N@H+]1C ZINC000123784508 207369280 /nfs/dbraw/zinc/36/92/80/207369280.db2.gz AQGPMFFEXXTUIA-GHMZBOCLSA-N 2 2 268.361 -0.047 20 0 CBADLP C[C@@H]1C[C@H]([N@H+](C)CCN2C(=O)CNC2=O)CC[NH+]1C ZINC000123784508 207369283 /nfs/dbraw/zinc/36/92/83/207369283.db2.gz AQGPMFFEXXTUIA-GHMZBOCLSA-N 2 2 268.361 -0.047 20 0 CBADLP C[C@@H]1C[C@H]([N@@H+](C)CCN2C(=O)CNC2=O)CC[NH+]1C ZINC000123784508 207369288 /nfs/dbraw/zinc/36/92/88/207369288.db2.gz AQGPMFFEXXTUIA-GHMZBOCLSA-N 2 2 268.361 -0.047 20 0 CBADLP [NH3+][C@@H](CNC(=O)CN1CC[NH2+]CC1=O)c1ccccc1 ZINC000152204227 207378771 /nfs/dbraw/zinc/37/87/71/207378771.db2.gz HGSOHSUEWVLBOF-LBPRGKRZSA-N 2 2 276.340 -0.766 20 0 CBADLP CCOCC[NH+]1CCN(C(=O)C[NH2+]C[C@H]2CCCO2)CC1 ZINC000164464654 207397729 /nfs/dbraw/zinc/39/77/29/207397729.db2.gz NEAVYOSCNKDIOX-CQSZACIVSA-N 2 2 299.415 -0.064 20 0 CBADLP CC[C@H]([NH3+])C(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000164027295 207398058 /nfs/dbraw/zinc/39/80/58/207398058.db2.gz CWWNCIJASULSFW-PWSUYJOCSA-N 2 2 282.388 -0.465 20 0 CBADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)[C@H]2CSC[NH2+]2)C[C@H]1C ZINC000167981594 207398295 /nfs/dbraw/zinc/39/82/95/207398295.db2.gz PWHCTPYAFKEBOY-GMTAPVOTSA-N 2 2 273.402 -0.438 20 0 CBADLP C[C@@H](O)C[N@H+]1CCN(C(=O)[C@H]2CSC[NH2+]2)C[C@H]1C ZINC000167981594 207398298 /nfs/dbraw/zinc/39/82/98/207398298.db2.gz PWHCTPYAFKEBOY-GMTAPVOTSA-N 2 2 273.402 -0.438 20 0 CBADLP COCC[C@@H](C)[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181023329 207432432 /nfs/dbraw/zinc/43/24/32/207432432.db2.gz UOESLMYLVJYKIZ-ZIAGYGMSSA-N 2 2 299.415 -0.066 20 0 CBADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](C[C@H]2CCOC2)C1 ZINC000362827712 296339851 /nfs/dbraw/zinc/33/98/51/296339851.db2.gz UUNBWQNOKYBITD-CHWSQXEVSA-N 2 2 267.373 -0.081 20 0 CBADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](C[C@H]2CCOC2)C1 ZINC000362827712 296339852 /nfs/dbraw/zinc/33/98/52/296339852.db2.gz UUNBWQNOKYBITD-CHWSQXEVSA-N 2 2 267.373 -0.081 20 0 CBADLP CC(C)[C@@H](C(=O)N[C@H](CO)C[NH+]1CCOCC1)[NH+](C)C ZINC000425292611 208014532 /nfs/dbraw/zinc/01/45/32/208014532.db2.gz ZWBDRNVBKHTWLY-STQMWFEESA-N 2 2 287.404 -0.618 20 0 CBADLP CN(C)c1[nH+]cc(CN2CC[NH+](CCO)CC2)n1C ZINC000425319509 208017979 /nfs/dbraw/zinc/01/79/79/208017979.db2.gz CQZKPPCPVSKAAF-UHFFFAOYSA-N 2 2 267.377 -0.404 20 0 CBADLP C[C@H]1C[N@H+](CCO)CCN1Cc1c[nH+]c(N(C)C)n1C ZINC000425373321 208019627 /nfs/dbraw/zinc/01/96/27/208019627.db2.gz VJNJUKSAYITKCH-LBPRGKRZSA-N 2 2 281.404 -0.016 20 0 CBADLP C[C@H]1C[N@@H+](CCO)CCN1Cc1c[nH+]c(N(C)C)n1C ZINC000425373321 208019631 /nfs/dbraw/zinc/01/96/31/208019631.db2.gz VJNJUKSAYITKCH-LBPRGKRZSA-N 2 2 281.404 -0.016 20 0 CBADLP C[C@@H]1C[N@H+](CCO)CCN1Cc1c[nH+]c(N(C)C)n1C ZINC000425373318 208020122 /nfs/dbraw/zinc/02/01/22/208020122.db2.gz VJNJUKSAYITKCH-GFCCVEGCSA-N 2 2 281.404 -0.016 20 0 CBADLP C[C@@H]1C[N@@H+](CCO)CCN1Cc1c[nH+]c(N(C)C)n1C ZINC000425373318 208020126 /nfs/dbraw/zinc/02/01/26/208020126.db2.gz VJNJUKSAYITKCH-GFCCVEGCSA-N 2 2 281.404 -0.016 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C[C@H]1CC[NH2+]C1 ZINC000427288958 208057735 /nfs/dbraw/zinc/05/77/35/208057735.db2.gz RXEVQRYVGYXQHC-NWDGAFQWSA-N 2 2 255.362 -0.177 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)C[C@H]1CC[NH2+]C1 ZINC000427288958 208057739 /nfs/dbraw/zinc/05/77/39/208057739.db2.gz RXEVQRYVGYXQHC-NWDGAFQWSA-N 2 2 255.362 -0.177 20 0 CBADLP CCOCCNC(=O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428037498 208076840 /nfs/dbraw/zinc/07/68/40/208076840.db2.gz UEYZCNFREFOMIE-VXGBXAGGSA-N 2 2 255.362 -0.177 20 0 CBADLP CCOCCNC(=O)C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428037498 208076843 /nfs/dbraw/zinc/07/68/43/208076843.db2.gz UEYZCNFREFOMIE-VXGBXAGGSA-N 2 2 255.362 -0.177 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000428505803 208090389 /nfs/dbraw/zinc/09/03/89/208090389.db2.gz DFYHOECWZXZIKN-KGLIPLIRSA-N 2 2 299.415 -0.520 20 0 CBADLP COC(=O)[C@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)CCO1 ZINC000429678068 208129568 /nfs/dbraw/zinc/12/95/68/208129568.db2.gz MOYAXARSVMQEPJ-GFCCVEGCSA-N 2 2 299.371 -0.976 20 0 CBADLP COC(=O)[C@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)CCO1 ZINC000429678068 208129571 /nfs/dbraw/zinc/12/95/71/208129571.db2.gz MOYAXARSVMQEPJ-GFCCVEGCSA-N 2 2 299.371 -0.976 20 0 CBADLP C[C@@H](C(=O)NCC[C@H]1CC[NH2+]C1)[NH+]1CCOCC1 ZINC000429118816 208108851 /nfs/dbraw/zinc/10/88/51/208108851.db2.gz WXOBSONHXNCUDA-NWDGAFQWSA-N 2 2 255.362 -0.177 20 0 CBADLP CC(C)[C@H]([NH3+])CC[N@H+](C)CC(=O)N[C@H](C)C(=O)N(C)C ZINC000430548997 208164647 /nfs/dbraw/zinc/16/46/47/208164647.db2.gz XBSLURGTNIEQHV-VXGBXAGGSA-N 2 2 286.420 -0.116 20 0 CBADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC(=O)N[C@H](C)C(=O)N(C)C ZINC000430548997 208164653 /nfs/dbraw/zinc/16/46/53/208164653.db2.gz XBSLURGTNIEQHV-VXGBXAGGSA-N 2 2 286.420 -0.116 20 0 CBADLP CCS(=O)(=O)NCC[N@@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000430639363 208168632 /nfs/dbraw/zinc/16/86/32/208168632.db2.gz HUSHXMVSNCYEKQ-LLVKDONJSA-N 2 2 263.407 -0.143 20 0 CBADLP CCS(=O)(=O)NCC[N@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000430639363 208168639 /nfs/dbraw/zinc/16/86/39/208168639.db2.gz HUSHXMVSNCYEKQ-LLVKDONJSA-N 2 2 263.407 -0.143 20 0 CBADLP CC(C)N1CCC[C@H]([N@H+](C)CC(=O)N2CC[NH2+]CC2)C1=O ZINC000430660983 208169722 /nfs/dbraw/zinc/16/97/22/208169722.db2.gz FMGPAVLFCNMGOM-ZDUSSCGKSA-N 2 2 296.415 -0.251 20 0 CBADLP CC(C)N1CCC[C@H]([N@@H+](C)CC(=O)N2CC[NH2+]CC2)C1=O ZINC000430660983 208169726 /nfs/dbraw/zinc/16/97/26/208169726.db2.gz FMGPAVLFCNMGOM-ZDUSSCGKSA-N 2 2 296.415 -0.251 20 0 CBADLP O=C(NCCc1cn2c([nH+]1)CCCC2)[C@@H]1COCC[NH2+]1 ZINC000430704292 208172299 /nfs/dbraw/zinc/17/22/99/208172299.db2.gz MYGAGXWNUPXHPW-LBPRGKRZSA-N 2 2 278.356 -0.134 20 0 CBADLP [NH3+]CCCC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000430698975 208173539 /nfs/dbraw/zinc/17/35/39/208173539.db2.gz ORVAWQGBGIRVKI-UHFFFAOYSA-N 2 2 296.415 -0.214 20 0 CBADLP CNC(=O)[C@@]1(C)CC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000430261775 208149516 /nfs/dbraw/zinc/14/95/16/208149516.db2.gz WITIWSGZQHBIFO-AWEZNQCLSA-N 2 2 282.388 -0.782 20 0 CBADLP CNC(=O)[C@@]1(C)CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000430261775 208149524 /nfs/dbraw/zinc/14/95/24/208149524.db2.gz WITIWSGZQHBIFO-AWEZNQCLSA-N 2 2 282.388 -0.782 20 0 CBADLP C[C@H]([NH3+])CC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000430764517 208177379 /nfs/dbraw/zinc/17/73/79/208177379.db2.gz SGOMLSCTYPTSJI-QWRGUYRKSA-N 2 2 282.388 -0.465 20 0 CBADLP C[NH2+]C[C@@H](C)C(=O)NCC[NH+]1CCN(C(C)=O)CC1 ZINC000430747051 208177560 /nfs/dbraw/zinc/17/75/60/208177560.db2.gz VFTQBLZATRTWFX-LLVKDONJSA-N 2 2 270.377 -0.878 20 0 CBADLP O=C(NCC1([NH+]2CCCC2)CCOCC1)[C@@H]1COCC[NH2+]1 ZINC000430732451 208178123 /nfs/dbraw/zinc/17/81/23/208178123.db2.gz PGLWQNXEGXTGIH-ZDUSSCGKSA-N 2 2 297.399 -0.264 20 0 CBADLP CN(C)c1ccc(CNC(=O)[C@@H]2C[NH2+]CCO2)c[nH+]1 ZINC000430750513 208178261 /nfs/dbraw/zinc/17/82/61/208178261.db2.gz OLJFJFMECDQPSL-NSHDSACASA-N 2 2 264.329 -0.248 20 0 CBADLP CN(C)c1ccc(CNC(=O)[C@H]2C[NH2+]CCO2)c[nH+]1 ZINC000430750512 208178383 /nfs/dbraw/zinc/17/83/83/208178383.db2.gz OLJFJFMECDQPSL-LLVKDONJSA-N 2 2 264.329 -0.248 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000430772877 208180333 /nfs/dbraw/zinc/18/03/33/208180333.db2.gz ODDBXCAEIIYQHD-UHFFFAOYSA-N 2 2 291.355 -0.453 20 0 CBADLP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)CN1CC[NH2+]CC1=O ZINC000430788570 208182152 /nfs/dbraw/zinc/18/21/52/208182152.db2.gz CQZGPDHOVIICBI-OLZOCXBDSA-N 2 2 294.399 -0.497 20 0 CBADLP C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)CN1CC[NH2+]CC1=O ZINC000430788570 208182156 /nfs/dbraw/zinc/18/21/56/208182156.db2.gz CQZGPDHOVIICBI-OLZOCXBDSA-N 2 2 294.399 -0.497 20 0 CBADLP CC[N@@H+]1CC[C@H](N(C)C(=O)CN2CC[NH2+]CC2=O)C[C@@H]1C ZINC000430804160 208183995 /nfs/dbraw/zinc/18/39/95/208183995.db2.gz XUJMMJQAMALOPI-STQMWFEESA-N 2 2 296.415 -0.251 20 0 CBADLP CC[N@H+]1CC[C@H](N(C)C(=O)CN2CC[NH2+]CC2=O)C[C@@H]1C ZINC000430804160 208184003 /nfs/dbraw/zinc/18/40/03/208184003.db2.gz XUJMMJQAMALOPI-STQMWFEESA-N 2 2 296.415 -0.251 20 0 CBADLP O=C(COC1C[NH2+]C1)NCc1ccn2cc[nH+]c2c1 ZINC000430803023 208184399 /nfs/dbraw/zinc/18/43/99/208184399.db2.gz PTVKQMOXMJGHFP-UHFFFAOYSA-N 2 2 260.297 -0.061 20 0 CBADLP COCC[C@]1(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)CC[NH2+]C1 ZINC000430880990 208187536 /nfs/dbraw/zinc/18/75/36/208187536.db2.gz XDKNFLPUQWMJLE-DZGCQCFKSA-N 2 2 299.415 -0.161 20 0 CBADLP COCC[C@]1(C(=O)NCC[N@H+]2CCOC[C@@H]2C)CC[NH2+]C1 ZINC000430880990 208187541 /nfs/dbraw/zinc/18/75/41/208187541.db2.gz XDKNFLPUQWMJLE-DZGCQCFKSA-N 2 2 299.415 -0.161 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000430893319 208187665 /nfs/dbraw/zinc/18/76/65/208187665.db2.gz IJIVYYXNDQWWSQ-RYUDHWBXSA-N 2 2 255.362 -0.035 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000430893319 208187673 /nfs/dbraw/zinc/18/76/73/208187673.db2.gz IJIVYYXNDQWWSQ-RYUDHWBXSA-N 2 2 255.362 -0.035 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000430882544 208188856 /nfs/dbraw/zinc/18/88/56/208188856.db2.gz LVOOLSMIQKTLFQ-UTUOFQBUSA-N 2 2 255.362 -0.049 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000430882544 208188860 /nfs/dbraw/zinc/18/88/60/208188860.db2.gz LVOOLSMIQKTLFQ-UTUOFQBUSA-N 2 2 255.362 -0.049 20 0 CBADLP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430919758 208189990 /nfs/dbraw/zinc/18/99/90/208189990.db2.gz RUKKLUZASJGLHJ-WZRBSPASSA-N 2 2 296.415 -0.219 20 0 CBADLP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430919758 208189997 /nfs/dbraw/zinc/18/99/97/208189997.db2.gz RUKKLUZASJGLHJ-WZRBSPASSA-N 2 2 296.415 -0.219 20 0 CBADLP C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C[NH3+])C1)C(=O)N1CCCCC1 ZINC000430923089 208190283 /nfs/dbraw/zinc/19/02/83/208190283.db2.gz DNANNKYAAUWCMM-OLZOCXBDSA-N 2 2 296.415 -0.216 20 0 CBADLP C[C@@H](NC(=O)C[N@H+]1CC[C@@H](C[NH3+])C1)C(=O)N1CCCCC1 ZINC000430923089 208190288 /nfs/dbraw/zinc/19/02/88/208190288.db2.gz DNANNKYAAUWCMM-OLZOCXBDSA-N 2 2 296.415 -0.216 20 0 CBADLP O=C(NCc1cn2c([nH+]1)CCCC2)[C@@H]1C[NH2+]CCO1 ZINC000430902729 208191228 /nfs/dbraw/zinc/19/12/28/208191228.db2.gz ZJIPSAJTVRIBLO-NSHDSACASA-N 2 2 264.329 -0.176 20 0 CBADLP CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)C1 ZINC000430918194 208191602 /nfs/dbraw/zinc/19/16/02/208191602.db2.gz GRPUGVGWZBRRFP-BNOWGMLFSA-N 2 2 296.415 -0.217 20 0 CBADLP CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)C1 ZINC000430918194 208191609 /nfs/dbraw/zinc/19/16/09/208191609.db2.gz GRPUGVGWZBRRFP-BNOWGMLFSA-N 2 2 296.415 -0.217 20 0 CBADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)NCCCN2CCCC2=O)C1 ZINC000430929088 208192560 /nfs/dbraw/zinc/19/25/60/208192560.db2.gz NTKSSBDQIDOESP-ZDUSSCGKSA-N 2 2 296.415 -0.344 20 0 CBADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)NCCCN2CCCC2=O)C1 ZINC000430929088 208192566 /nfs/dbraw/zinc/19/25/66/208192566.db2.gz NTKSSBDQIDOESP-ZDUSSCGKSA-N 2 2 296.415 -0.344 20 0 CBADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000430931173 208193026 /nfs/dbraw/zinc/19/30/26/208193026.db2.gz YWUJNTRKBDGKRW-MNOVXSKESA-N 2 2 268.361 -0.996 20 0 CBADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000430931173 208193032 /nfs/dbraw/zinc/19/30/32/208193032.db2.gz YWUJNTRKBDGKRW-MNOVXSKESA-N 2 2 268.361 -0.996 20 0 CBADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H](NC(C)=O)C2)C1 ZINC000430954672 208193564 /nfs/dbraw/zinc/19/35/64/208193564.db2.gz KDTYETJEUZCTBB-KGLIPLIRSA-N 2 2 296.415 -0.345 20 0 CBADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H](NC(C)=O)C2)C1 ZINC000430954672 208193571 /nfs/dbraw/zinc/19/35/71/208193571.db2.gz KDTYETJEUZCTBB-KGLIPLIRSA-N 2 2 296.415 -0.345 20 0 CBADLP C[NH2+]C1CC[NH+]([C@H](C)C(=O)N2CCC[C@@H](C(N)=O)C2)CC1 ZINC000430950522 208193809 /nfs/dbraw/zinc/19/38/09/208193809.db2.gz RPJWQXZSEFQWQA-VXGBXAGGSA-N 2 2 296.415 -0.217 20 0 CBADLP O=C([C@@H]1COCC[NH2+]1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000431002698 208197159 /nfs/dbraw/zinc/19/71/59/208197159.db2.gz NNSNZRNPUVOSGS-NSHDSACASA-N 2 2 279.344 -0.958 20 0 CBADLP CC[NH+]1CCN(CCCNC(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000431003071 208197218 /nfs/dbraw/zinc/19/72/18/208197218.db2.gz NXZCHGPLGLJDEY-ZDUSSCGKSA-N 2 2 284.404 -0.881 20 0 CBADLP CCN1CC[NH+](CCCNC(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000431003071 208197222 /nfs/dbraw/zinc/19/72/22/208197222.db2.gz NXZCHGPLGLJDEY-ZDUSSCGKSA-N 2 2 284.404 -0.881 20 0 CBADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)CN1CC[NH2+]CC1=O ZINC000431021224 208198671 /nfs/dbraw/zinc/19/86/71/208198671.db2.gz IGZMDKCELPTXIH-ZYHUDNBSSA-N 2 2 280.372 -0.983 20 0 CBADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)CN1CC[NH2+]CC1=O ZINC000431021224 208198677 /nfs/dbraw/zinc/19/86/77/208198677.db2.gz IGZMDKCELPTXIH-ZYHUDNBSSA-N 2 2 280.372 -0.983 20 0 CBADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@]1(C)CC[NH2+]C1 ZINC000431022088 208199167 /nfs/dbraw/zinc/19/91/67/208199167.db2.gz METWGLNOQMEYPH-TZMCWYRMSA-N 2 2 268.405 -0.262 20 0 CBADLP CC1(C)C[N@H+](CCNC(=O)C[NH2+]C[C@H]2CCCO2)CCO1 ZINC000431056654 208201380 /nfs/dbraw/zinc/20/13/80/208201380.db2.gz DRVKEPDAISNAMH-CYBMUJFWSA-N 2 2 299.415 -0.018 20 0 CBADLP CC1(C)C[N@@H+](CCNC(=O)C[NH2+]C[C@H]2CCCO2)CCO1 ZINC000431056654 208201391 /nfs/dbraw/zinc/20/13/91/208201391.db2.gz DRVKEPDAISNAMH-CYBMUJFWSA-N 2 2 299.415 -0.018 20 0 CBADLP O=C(NCCn1cc[nH+]c1)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000433412099 208245623 /nfs/dbraw/zinc/24/56/23/208245623.db2.gz IAQPIRXYPUUFNF-LLVKDONJSA-N 2 2 289.343 -0.171 20 0 CBADLP C[C@@H]([NH3+])CCC(=O)NC[C@@H](C)[NH+]1CCN(C)CC1 ZINC000434676636 208263876 /nfs/dbraw/zinc/26/38/76/208263876.db2.gz SRJCMTKZQWQWOY-VXGBXAGGSA-N 2 2 256.394 -0.134 20 0 CBADLP CC(C)[C@H](CNC(=O)C[NH+](C)C)NC(=O)C[NH+](C)C ZINC000442647853 208357277 /nfs/dbraw/zinc/35/72/77/208357277.db2.gz ILDMVDKMRBEVPW-NSHDSACASA-N 2 2 272.393 -0.633 20 0 CBADLP C[NH+](C)CC(=O)NC[C@]1(C)CCN(C(=O)C[NH+](C)C)C1 ZINC000442826041 208368471 /nfs/dbraw/zinc/36/84/71/208368471.db2.gz JBNVONVTJHSGBB-AWEZNQCLSA-N 2 2 284.404 -0.536 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@@H]2C[C@]23CC[NH2+]C3)CC1 ZINC000444193931 208407503 /nfs/dbraw/zinc/40/75/03/208407503.db2.gz RYCXIMJPPYVFDR-ZFWWWQNUSA-N 2 2 294.399 -0.734 20 0 CBADLP COC(=O)[C@H](C)C[N@@H+]1CCO[C@H](CN2CC[NH+](C)CC2)C1 ZINC000375699779 533171767 /nfs/dbraw/zinc/17/17/67/533171767.db2.gz XFNQELYRVDQFBA-ZIAGYGMSSA-N 2 2 299.415 -0.256 20 0 CBADLP COC(=O)[C@H](C)C[N@H+]1CCO[C@H](CN2CC[NH+](C)CC2)C1 ZINC000375699779 533171777 /nfs/dbraw/zinc/17/17/77/533171777.db2.gz XFNQELYRVDQFBA-ZIAGYGMSSA-N 2 2 299.415 -0.256 20 0 CBADLP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C[NH+]1CC(C)(C)C1 ZINC000655161086 413028498 /nfs/dbraw/zinc/02/84/98/413028498.db2.gz WNMVAUMQPFDWEB-GFCCVEGCSA-N 2 2 296.415 -0.093 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)[C@@H]2CCN(C)C2=O)CC1 ZINC000352666466 285298110 /nfs/dbraw/zinc/29/81/10/285298110.db2.gz HJZGSVSRANGRSO-CHWSQXEVSA-N 2 2 296.415 -0.299 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)[C@@H]2CCN(C)C2=O)CC1 ZINC000352666466 285298111 /nfs/dbraw/zinc/29/81/11/285298111.db2.gz HJZGSVSRANGRSO-CHWSQXEVSA-N 2 2 296.415 -0.299 20 0 CBADLP COC(=O)[C@H]1C[C@H](NC(=O)[C@@]2(C)CCCC[NH2+]2)C[NH2+]1 ZINC000365692335 291941521 /nfs/dbraw/zinc/94/15/21/291941521.db2.gz ADULCHSERDKNPH-OPQQBVKSSA-N 2 2 269.345 -0.462 20 0 CBADLP COC(=O)C[C@H]([NH3+])C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000575043254 335058155 /nfs/dbraw/zinc/05/81/55/335058155.db2.gz QRMURRMNZRNCAD-DCAQKATOSA-N 2 2 287.360 -0.898 20 0 CBADLP O[C@@H]1COC[C@@H]1[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000340293174 285331654 /nfs/dbraw/zinc/33/16/54/285331654.db2.gz XQCARWWCGDIOGV-FRRDWIJNSA-N 2 2 256.346 -0.600 20 0 CBADLP O[C@@H]1COC[C@@H]1[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000340293174 285331657 /nfs/dbraw/zinc/33/16/57/285331657.db2.gz XQCARWWCGDIOGV-FRRDWIJNSA-N 2 2 256.346 -0.600 20 0 CBADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NC(N)=O)C[C@@H]1C ZINC000408218182 285395187 /nfs/dbraw/zinc/39/51/87/285395187.db2.gz PRTOHZJQLXPDOQ-UWVGGRQHSA-N 2 2 256.350 -0.014 20 0 CBADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NC(N)=O)C[C@@H]1C ZINC000408218182 285395188 /nfs/dbraw/zinc/39/51/88/285395188.db2.gz PRTOHZJQLXPDOQ-UWVGGRQHSA-N 2 2 256.350 -0.014 20 0 CBADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NC(N)=O)C[C@@H]1C ZINC000408218182 285395189 /nfs/dbraw/zinc/39/51/89/285395189.db2.gz PRTOHZJQLXPDOQ-UWVGGRQHSA-N 2 2 256.350 -0.014 20 0 CBADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NC(N)=O)C[C@@H]1C ZINC000408218182 285395190 /nfs/dbraw/zinc/39/51/90/285395190.db2.gz PRTOHZJQLXPDOQ-UWVGGRQHSA-N 2 2 256.350 -0.014 20 0 CBADLP C[C@H](C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1)[NH+]1CCN(C)CC1 ZINC000575125052 335069694 /nfs/dbraw/zinc/06/96/94/335069694.db2.gz UHRCSRLPFONVQI-HZSPNIEDSA-N 2 2 280.416 -0.310 20 0 CBADLP CN(C)S(=O)(=O)CC[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000368318705 289244253 /nfs/dbraw/zinc/24/42/53/289244253.db2.gz SVLWMGHCULWHMY-GFCCVEGCSA-N 2 2 275.418 -0.095 20 0 CBADLP CN(C)S(=O)(=O)CC[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000368318705 289244257 /nfs/dbraw/zinc/24/42/57/289244257.db2.gz SVLWMGHCULWHMY-GFCCVEGCSA-N 2 2 275.418 -0.095 20 0 CBADLP CN(C)S(=O)(=O)CC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000368318705 289244260 /nfs/dbraw/zinc/24/42/60/289244260.db2.gz SVLWMGHCULWHMY-GFCCVEGCSA-N 2 2 275.418 -0.095 20 0 CBADLP CN(C)S(=O)(=O)CC[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000368318705 289244261 /nfs/dbraw/zinc/24/42/61/289244261.db2.gz SVLWMGHCULWHMY-GFCCVEGCSA-N 2 2 275.418 -0.095 20 0 CBADLP O=C([C@@H]1C[NH2+]CCO1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000237954578 304370228 /nfs/dbraw/zinc/37/02/28/304370228.db2.gz LGLNUQRGTSWGFK-STQMWFEESA-N 2 2 283.372 -0.702 20 0 CBADLP C[NH+](C)[C@@H]1CCCN(C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000304060954 289297031 /nfs/dbraw/zinc/29/70/31/289297031.db2.gz PAJNJGGXBHYJNR-KGLIPLIRSA-N 2 2 271.405 -0.295 20 0 CBADLP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N2CC[NH+](CCO)CC2)C1(C)C ZINC000133944082 286305746 /nfs/dbraw/zinc/30/57/46/286305746.db2.gz RFRJCVNBEXPFAQ-IUODEOHRSA-N 2 2 299.415 -0.345 20 0 CBADLP COCCCNC(=O)[C@@H](C)[NH+]1CCN(CC[NH3+])CC1 ZINC000037039616 292359643 /nfs/dbraw/zinc/35/96/43/292359643.db2.gz BYVNPAXEZANWOR-GFCCVEGCSA-N 2 2 272.393 -0.896 20 0 CBADLP C[C@@H](C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)[NH+]1CCOCC1 ZINC000343649273 286754686 /nfs/dbraw/zinc/75/46/86/286754686.db2.gz WPFFRGKWZIZQNQ-KBPBESRZSA-N 2 2 296.415 -0.787 20 0 CBADLP C[C@@H]([NH3+])CC(=O)N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC000261845395 286908993 /nfs/dbraw/zinc/90/89/93/286908993.db2.gz LRZZJYIXZKJZRP-CHWSQXEVSA-N 2 2 296.415 -0.121 20 0 CBADLP C[C@H](C[NH3+])CNC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000417518244 298527963 /nfs/dbraw/zinc/52/79/63/298527963.db2.gz KGZBPMNVZJSFOW-IJLUTSLNSA-N 2 2 272.393 -0.010 20 0 CBADLP NC(=O)c1cccnc1N1CC[NH+](CCC[NH3+])CC1 ZINC000037037826 411625157 /nfs/dbraw/zinc/62/51/57/411625157.db2.gz RJSREZKBEFGAAJ-UHFFFAOYSA-N 2 2 263.345 -0.349 20 0 CBADLP Cn1cc(C[NH2+]CC[NH+]2CCCC2)c(=O)n(C)c1=O ZINC000020127061 171012495 /nfs/dbraw/zinc/01/24/95/171012495.db2.gz BHIJVUQEOWXWCX-UHFFFAOYSA-N 2 2 266.345 -0.731 20 0 CBADLP O=C([C@@H]1Cc2ccccc2C[NH2+]1)N1CC[NH+](CCO)CC1 ZINC000035609620 172295383 /nfs/dbraw/zinc/29/53/83/172295383.db2.gz YBYXOOIZZSQFDL-HNNXBMFYSA-N 2 2 289.379 -0.163 20 0 CBADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@H]2[NH2+]CCC2(C)C)CC1 ZINC000662746905 413991816 /nfs/dbraw/zinc/99/18/16/413991816.db2.gz OUZVCQJQJJIMJL-LLVKDONJSA-N 2 2 296.415 -0.217 20 0 CBADLP C[NH2+]CC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662901186 414058923 /nfs/dbraw/zinc/05/89/23/414058923.db2.gz UFPVPGLRDNWJEG-ZDUSSCGKSA-N 3 2 268.405 -0.167 20 0 CBADLP C[NH2+]CC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662901186 414058925 /nfs/dbraw/zinc/05/89/25/414058925.db2.gz UFPVPGLRDNWJEG-ZDUSSCGKSA-N 3 2 268.405 -0.167 20 0 CBADLP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccc(C(N)=O)cc1 ZINC000038031417 174025600 /nfs/dbraw/zinc/02/56/00/174025600.db2.gz HOGFWJGKFLQOHQ-UHFFFAOYSA-N 2 2 290.367 -0.351 20 0 CBADLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccc(C(N)=O)cc1 ZINC000038031417 174025604 /nfs/dbraw/zinc/02/56/04/174025604.db2.gz HOGFWJGKFLQOHQ-UHFFFAOYSA-N 2 2 290.367 -0.351 20 0 CBADLP C[N@H+](CC(=O)NC1CCCC1)CC(=O)N1CC[NH2+]CC1 ZINC000038031485 174026202 /nfs/dbraw/zinc/02/62/02/174026202.db2.gz OYPLKXKCPFSGEK-UHFFFAOYSA-N 2 2 282.388 -0.591 20 0 CBADLP C[N@@H+](CC(=O)NC1CCCC1)CC(=O)N1CC[NH2+]CC1 ZINC000038031485 174026204 /nfs/dbraw/zinc/02/62/04/174026204.db2.gz OYPLKXKCPFSGEK-UHFFFAOYSA-N 2 2 282.388 -0.591 20 0 CBADLP C[C@@H](C(=O)NC(C)(C)C)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031533 174026226 /nfs/dbraw/zinc/02/62/26/174026226.db2.gz UNCLAXWOMCECCL-NSHDSACASA-N 2 2 284.404 -0.347 20 0 CBADLP C[C@@H](C(=O)NC(C)(C)C)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031533 174026227 /nfs/dbraw/zinc/02/62/27/174026227.db2.gz UNCLAXWOMCECCL-NSHDSACASA-N 2 2 284.404 -0.347 20 0 CBADLP CSCC[C@H]([NH3+])C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000040462473 174271491 /nfs/dbraw/zinc/27/14/91/174271491.db2.gz SYTXTZOASYYDTD-QWRGUYRKSA-N 2 2 275.418 -0.096 20 0 CBADLP CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000040599079 174349584 /nfs/dbraw/zinc/34/95/84/174349584.db2.gz QRZHQYCTZGSAEE-SNVBAGLBSA-N 2 2 256.350 -0.237 20 0 CBADLP CCNC(=O)NC(=O)C[N@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000040599079 174349585 /nfs/dbraw/zinc/34/95/85/174349585.db2.gz QRZHQYCTZGSAEE-SNVBAGLBSA-N 2 2 256.350 -0.237 20 0 CBADLP O=C([C@@H]1C[NH2+]CCO1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000043709949 175103052 /nfs/dbraw/zinc/10/30/52/175103052.db2.gz NAOICFHSIYRIAC-AWEZNQCLSA-N 2 2 290.367 -0.286 20 0 CBADLP [NH3+]C[C@@H]1CCC[N@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000044529899 175193810 /nfs/dbraw/zinc/19/38/10/175193810.db2.gz BTOXWPQZEGWPSJ-VIFPVBQESA-N 2 2 254.334 -0.355 20 0 CBADLP [NH3+]C[C@@H]1CCC[N@@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000044529899 175193812 /nfs/dbraw/zinc/19/38/12/175193812.db2.gz BTOXWPQZEGWPSJ-VIFPVBQESA-N 2 2 254.334 -0.355 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000044530077 175195383 /nfs/dbraw/zinc/19/53/83/175195383.db2.gz OYOHAENZPWFQKC-LBPRGKRZSA-N 2 2 284.404 -0.358 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000044530077 175195384 /nfs/dbraw/zinc/19/53/84/175195384.db2.gz OYOHAENZPWFQKC-LBPRGKRZSA-N 2 2 284.404 -0.358 20 0 CBADLP [NH3+]CC1(C(=O)NCC[NH+]2CCOCC2)CCCC1 ZINC000044753340 175245556 /nfs/dbraw/zinc/24/55/56/175245556.db2.gz HIDKRLCEHBCQAC-UHFFFAOYSA-N 2 2 255.362 -0.046 20 0 CBADLP CCC(CC)(C[NH3+])C(=O)N1CC[NH+](CCO)CC1 ZINC000044762918 175247169 /nfs/dbraw/zinc/24/71/69/175247169.db2.gz KYRWLCAYAJQVIF-UHFFFAOYSA-N 2 2 257.378 -0.112 20 0 CBADLP CC[NH+](CC)CC(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000171587680 335071942 /nfs/dbraw/zinc/07/19/42/335071942.db2.gz CKDQUTHLMUSFKE-LBPRGKRZSA-N 2 2 257.378 -0.147 20 0 CBADLP CC[NH+](CC)CCNC(=O)NCC[NH+]1CCOCC1 ZINC000078405764 177338615 /nfs/dbraw/zinc/33/86/15/177338615.db2.gz DAUHGHWDIPYPPI-UHFFFAOYSA-N 2 2 272.393 -0.040 20 0 CBADLP C[C@@H]1CCC[N@H+](CCC(=O)N2CC[NH2+]CC2)[C@H]1C[NH3+] ZINC000262103814 287346798 /nfs/dbraw/zinc/34/67/98/287346798.db2.gz MERKJTWECDXILX-OLZOCXBDSA-N 3 2 268.405 -0.133 20 0 CBADLP C[C@@H]1CCC[N@@H+](CCC(=O)N2CC[NH2+]CC2)[C@H]1C[NH3+] ZINC000262103814 287346800 /nfs/dbraw/zinc/34/68/00/287346800.db2.gz MERKJTWECDXILX-OLZOCXBDSA-N 3 2 268.405 -0.133 20 0 CBADLP C[C@@H]1CCC[N@H+](Cc2cn(C)c(=O)n(C)c2=O)[C@H]1C[NH3+] ZINC000347080403 287356101 /nfs/dbraw/zinc/35/61/01/287356101.db2.gz XMGDJISRBRQRJG-PWSUYJOCSA-N 2 2 280.372 -0.357 20 0 CBADLP C[C@@H]1CCC[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)[C@H]1C[NH3+] ZINC000347080403 287356103 /nfs/dbraw/zinc/35/61/03/287356103.db2.gz XMGDJISRBRQRJG-PWSUYJOCSA-N 2 2 280.372 -0.357 20 0 CBADLP COCC[NH2+]CC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000092495737 544441167 /nfs/dbraw/zinc/44/11/67/544441167.db2.gz JWMMRXQDOZLYPT-CYBMUJFWSA-N 2 2 285.388 -0.454 20 0 CBADLP [NH3+]CCOCC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000093231578 544443026 /nfs/dbraw/zinc/44/30/26/544443026.db2.gz RQEASLQPYNLXLW-UHFFFAOYSA-N 2 2 278.356 -0.299 20 0 CBADLP CC(C)(CNC(=O)COC1(C)C[NH2+]C1)[NH+]1CCOCC1 ZINC000098061547 544447114 /nfs/dbraw/zinc/44/71/14/544447114.db2.gz SSGLIZASPKRQGK-UHFFFAOYSA-N 2 2 285.388 -0.408 20 0 CBADLP C[C@H](NC(=O)NCCn1cc[nH+]c1)[C@H]1C[N@H+](C)CCO1 ZINC000119527248 544449324 /nfs/dbraw/zinc/44/93/24/544449324.db2.gz QCUWLYGVEIFNEA-NWDGAFQWSA-N 2 2 281.360 -0.099 20 0 CBADLP C[C@H](NC(=O)NCCn1cc[nH+]c1)[C@H]1C[N@@H+](C)CCO1 ZINC000119527248 544449329 /nfs/dbraw/zinc/44/93/29/544449329.db2.gz QCUWLYGVEIFNEA-NWDGAFQWSA-N 2 2 281.360 -0.099 20 0 CBADLP C[C@@H]1C[C@@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)CCO1 ZINC000223053711 544491859 /nfs/dbraw/zinc/49/18/59/544491859.db2.gz DRCXEOMPAPRINR-NEPJUHHUSA-N 2 2 255.362 -0.083 20 0 CBADLP CCN(C)C(=O)[C@@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000231850932 544502092 /nfs/dbraw/zinc/50/20/92/544502092.db2.gz RDMVCQLADKZEEN-VXGBXAGGSA-N 2 2 257.378 -0.101 20 0 CBADLP CC[C@H]1C[N@H+](CC(=O)N2CCOCC2)CC[C@@H]1[NH3+] ZINC000147509789 544464815 /nfs/dbraw/zinc/46/48/15/544464815.db2.gz BGVQMZSIAINUKG-RYUDHWBXSA-N 2 2 255.362 -0.096 20 0 CBADLP CC[C@H]1C[N@@H+](CC(=O)N2CCOCC2)CC[C@@H]1[NH3+] ZINC000147509789 544464818 /nfs/dbraw/zinc/46/48/18/544464818.db2.gz BGVQMZSIAINUKG-RYUDHWBXSA-N 2 2 255.362 -0.096 20 0 CBADLP CC(C)CC(=O)NCCC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000162276872 544477500 /nfs/dbraw/zinc/47/75/00/544477500.db2.gz LKTLAXNNEDBKPD-GFCCVEGCSA-N 2 2 284.404 -0.360 20 0 CBADLP CC(C)CC(=O)NCCC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000162276872 544477503 /nfs/dbraw/zinc/47/75/03/544477503.db2.gz LKTLAXNNEDBKPD-GFCCVEGCSA-N 2 2 284.404 -0.360 20 0 CBADLP O=C(NC[C@@H](O)C[NH+]1CCOCC1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000332998684 544542777 /nfs/dbraw/zinc/54/27/77/544542777.db2.gz RLTSIBALVBSRRP-ZIAGYGMSSA-N 2 2 297.399 -0.578 20 0 CBADLP O=C(NC[C@@H](O)C[NH+]1CCOCC1)[C@H]1CCC[N@H+]1C1CC1 ZINC000332998684 544542780 /nfs/dbraw/zinc/54/27/80/544542780.db2.gz RLTSIBALVBSRRP-ZIAGYGMSSA-N 2 2 297.399 -0.578 20 0 CBADLP [NH3+][C@H]1CCCN(C(=O)NCC2([NH+]3CCOCC3)CC2)C1 ZINC000333809022 544546550 /nfs/dbraw/zinc/54/65/50/544546550.db2.gz PHFJJTSFOBGJCV-LBPRGKRZSA-N 2 2 282.388 -0.016 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)C2([NH3+])CCCCC2)CC1 ZINC000236576556 544504513 /nfs/dbraw/zinc/50/45/13/544504513.db2.gz VIZDBOKPJQQBDK-UHFFFAOYSA-N 2 2 296.415 -0.072 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@@H]2CCCC[NH2+]2)CC1 ZINC000236576988 544504788 /nfs/dbraw/zinc/50/47/88/544504788.db2.gz WLZAHDXDZZMNBV-ZDUSSCGKSA-N 2 2 282.388 -0.591 20 0 CBADLP C[C@H]1C[C@@H](C(=O)NC[C@@H]2C[N@H+](C)CCO2)CC[NH2+]1 ZINC000235691842 544505307 /nfs/dbraw/zinc/50/53/07/544505307.db2.gz GYYRSHZLOSBCMG-SDDRHHMPSA-N 2 2 255.362 -0.179 20 0 CBADLP C[C@H]1C[C@@H](C(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC[NH2+]1 ZINC000235691842 544505313 /nfs/dbraw/zinc/50/53/13/544505313.db2.gz GYYRSHZLOSBCMG-SDDRHHMPSA-N 2 2 255.362 -0.179 20 0 CBADLP CC[C@@H]1C[N@H+](CC(=O)N2CCOCC2)CC[C@H]1[NH3+] ZINC000251555001 544514537 /nfs/dbraw/zinc/51/45/37/544514537.db2.gz BGVQMZSIAINUKG-VXGBXAGGSA-N 2 2 255.362 -0.096 20 0 CBADLP CC[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)CC[C@H]1[NH3+] ZINC000251555001 544514540 /nfs/dbraw/zinc/51/45/40/544514540.db2.gz BGVQMZSIAINUKG-VXGBXAGGSA-N 2 2 255.362 -0.096 20 0 CBADLP CN1CC[N@H+](C)[C@@H](CNC(=O)C[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000261869517 544517801 /nfs/dbraw/zinc/51/78/01/544517801.db2.gz SEXHKWTVBXIQCQ-RWMBFGLXSA-N 2 2 268.405 -0.134 20 0 CBADLP CN1CC[N@@H+](C)[C@@H](CNC(=O)C[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000261869517 544517804 /nfs/dbraw/zinc/51/78/04/544517804.db2.gz SEXHKWTVBXIQCQ-RWMBFGLXSA-N 2 2 268.405 -0.134 20 0 CBADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC(O)(CO)CC1 ZINC000313634719 544529254 /nfs/dbraw/zinc/52/92/54/544529254.db2.gz KALMIWQWRAFQHU-LBPRGKRZSA-N 2 2 260.378 -0.493 20 0 CBADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC(O)(CO)CC1 ZINC000313634719 544529260 /nfs/dbraw/zinc/52/92/60/544529260.db2.gz KALMIWQWRAFQHU-LBPRGKRZSA-N 2 2 260.378 -0.493 20 0 CBADLP O[C@H](CN1CCn2c[nH+]cc2C1)C[NH+]1CCOCC1 ZINC000660576738 419407377 /nfs/dbraw/zinc/40/73/77/419407377.db2.gz FYXPXXZWCNPLTE-ZDUSSCGKSA-N 2 2 266.345 -0.608 20 0 CBADLP O=C([C@H]1CSC[NH2+]1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000037799504 419412180 /nfs/dbraw/zinc/41/21/80/419412180.db2.gz ZQRQPIPKIWKOMK-VXGBXAGGSA-N 2 2 285.413 -0.028 20 0 CBADLP COC1CC[NH+](CCNc2nc(C)[nH+]c(N)n2)CC1 ZINC000631155740 419476222 /nfs/dbraw/zinc/47/62/22/419476222.db2.gz VOBLLVMTBXPCRF-UHFFFAOYSA-N 2 2 266.349 -0.293 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](Cn3ccnn3)C2)CC1 ZINC000661149958 419476345 /nfs/dbraw/zinc/47/63/45/419476345.db2.gz ZKDOPWKGRQGISV-CYBMUJFWSA-N 2 2 292.387 -0.626 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](Cn3ccnn3)C2)CC1 ZINC000661149958 419476350 /nfs/dbraw/zinc/47/63/50/419476350.db2.gz ZKDOPWKGRQGISV-CYBMUJFWSA-N 2 2 292.387 -0.626 20 0 CBADLP Cc1nc(N2CCC[N@H+](CCO)CC2)nc(N)[nH+]1 ZINC000631107583 419476336 /nfs/dbraw/zinc/47/63/36/419476336.db2.gz YBUBMESVSHIUJZ-UHFFFAOYSA-N 2 2 252.322 -0.733 20 0 CBADLP Cc1nc(N2CCC[N@@H+](CCO)CC2)nc(N)[nH+]1 ZINC000631107583 419476343 /nfs/dbraw/zinc/47/63/43/419476343.db2.gz YBUBMESVSHIUJZ-UHFFFAOYSA-N 2 2 252.322 -0.733 20 0 CBADLP Cc1nc(N2CC[NH+]([C@@H]3CCOC3)CC2)nc(N)[nH+]1 ZINC000631170710 419476562 /nfs/dbraw/zinc/47/65/62/419476562.db2.gz COMFLQMBWHTZQR-SNVBAGLBSA-N 2 2 264.333 -0.327 20 0 CBADLP Cc1nc(N2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)nc(N)[nH+]1 ZINC000631314830 419480421 /nfs/dbraw/zinc/48/04/21/419480421.db2.gz SSGMAKQBJADWFN-RKDXNWHRSA-N 2 2 266.349 -0.346 20 0 CBADLP Cc1nc(N2C[C@@H](C)[N@H+](CCO)C[C@H]2C)nc(N)[nH+]1 ZINC000631314830 419480428 /nfs/dbraw/zinc/48/04/28/419480428.db2.gz SSGMAKQBJADWFN-RKDXNWHRSA-N 2 2 266.349 -0.346 20 0 CBADLP COCC(COC)[NH+]1CCN(c2nc(C)[nH+]c(N)n2)CC1 ZINC000631299914 419482466 /nfs/dbraw/zinc/48/24/66/419482466.db2.gz TZEWNTCTOQHKGV-UHFFFAOYSA-N 2 2 296.375 -0.454 20 0 CBADLP Cc1nc(NCC[N@@H+]2CCCOCC2)nc(N)[nH+]1 ZINC000631236604 419484055 /nfs/dbraw/zinc/48/40/55/419484055.db2.gz OVVAVEMIIQBCBZ-UHFFFAOYSA-N 2 2 252.322 -0.682 20 0 CBADLP Cc1nc(NCC[N@H+]2CCCOCC2)nc(N)[nH+]1 ZINC000631236604 419484064 /nfs/dbraw/zinc/48/40/64/419484064.db2.gz OVVAVEMIIQBCBZ-UHFFFAOYSA-N 2 2 252.322 -0.682 20 0 CBADLP C[C@@H](O)CNc1cc(NCC[N@@H+]2CC[C@H](O)C2)nc[nH+]1 ZINC000624773305 419427179 /nfs/dbraw/zinc/42/71/79/419427179.db2.gz GZAOJSDKFRKAFP-MNOVXSKESA-N 2 2 281.360 -0.252 20 0 CBADLP C[C@@H](O)CNc1cc(NCC[N@H+]2CC[C@H](O)C2)nc[nH+]1 ZINC000624773305 419427189 /nfs/dbraw/zinc/42/71/89/419427189.db2.gz GZAOJSDKFRKAFP-MNOVXSKESA-N 2 2 281.360 -0.252 20 0 CBADLP [NH3+]C[C@H]1CCC[N@H+](CC(=O)NC[C@@H]2CCCO2)C1 ZINC000044530103 419430431 /nfs/dbraw/zinc/43/04/31/419430431.db2.gz RPBXNIPOIRQICP-NEPJUHHUSA-N 2 2 255.362 -0.048 20 0 CBADLP [NH3+]C[C@H]1CCC[N@@H+](CC(=O)NC[C@@H]2CCCO2)C1 ZINC000044530103 419430441 /nfs/dbraw/zinc/43/04/41/419430441.db2.gz RPBXNIPOIRQICP-NEPJUHHUSA-N 2 2 255.362 -0.048 20 0 CBADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000660764969 419436875 /nfs/dbraw/zinc/43/68/75/419436875.db2.gz RYSJNWTWVXJKJB-AGIUHOORSA-N 2 2 285.388 -0.723 20 0 CBADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000660764969 419436881 /nfs/dbraw/zinc/43/68/81/419436881.db2.gz RYSJNWTWVXJKJB-AGIUHOORSA-N 2 2 285.388 -0.723 20 0 CBADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000660764969 419436890 /nfs/dbraw/zinc/43/68/90/419436890.db2.gz RYSJNWTWVXJKJB-AGIUHOORSA-N 2 2 285.388 -0.723 20 0 CBADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000660764969 419436895 /nfs/dbraw/zinc/43/68/95/419436895.db2.gz RYSJNWTWVXJKJB-AGIUHOORSA-N 2 2 285.388 -0.723 20 0 CBADLP O=C(C(=O)N1CCC[NH2+]CC1)N1CC[NH+](C2CC2)CC1 ZINC000048996816 419450525 /nfs/dbraw/zinc/45/05/25/419450525.db2.gz ZCBOJXLJQLOIHR-UHFFFAOYSA-N 2 2 280.372 -0.885 20 0 CBADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CCCO2)C1 ZINC000127232685 419493508 /nfs/dbraw/zinc/49/35/08/419493508.db2.gz SQPFUZPMZSLWCU-TUAOUCFPSA-N 2 2 255.362 -0.049 20 0 CBADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2CCCO2)C1 ZINC000127232685 419493517 /nfs/dbraw/zinc/49/35/17/419493517.db2.gz SQPFUZPMZSLWCU-TUAOUCFPSA-N 2 2 255.362 -0.049 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)[C@H]1CSC[NH2+]1 ZINC000074915170 419468769 /nfs/dbraw/zinc/46/87/69/419468769.db2.gz WVXNJRGMSCATNQ-SNVBAGLBSA-N 2 2 259.375 -0.561 20 0 CBADLP Cc1nc(N2CC[N@@H+]3CCOC[C@H]3C2)nc(N)[nH+]1 ZINC000631207236 419472020 /nfs/dbraw/zinc/47/20/20/419472020.db2.gz GBCNKSUDLIUAIJ-SECBINFHSA-N 2 2 250.306 -0.717 20 0 CBADLP Cc1nc(N2CC[N@H+]3CCOC[C@H]3C2)nc(N)[nH+]1 ZINC000631207236 419472028 /nfs/dbraw/zinc/47/20/28/419472028.db2.gz GBCNKSUDLIUAIJ-SECBINFHSA-N 2 2 250.306 -0.717 20 0 CBADLP Cc1nc(NCCCC[NH+]2CCOCC2)nc(N)[nH+]1 ZINC000631062595 419472279 /nfs/dbraw/zinc/47/22/79/419472279.db2.gz XBBWVIZMGQZJDH-UHFFFAOYSA-N 2 2 266.349 -0.292 20 0 CBADLP Cc1nc(N)nc(NCCCC[NH+]2CCOCC2)[nH+]1 ZINC000631062595 419472287 /nfs/dbraw/zinc/47/22/87/419472287.db2.gz XBBWVIZMGQZJDH-UHFFFAOYSA-N 2 2 266.349 -0.292 20 0 CBADLP COCC[N@@H+]1CC[C@H]([NH2+]CCCn2cncn2)C1 ZINC000381877474 544573841 /nfs/dbraw/zinc/57/38/41/544573841.db2.gz HDCPBXABCXGESH-LBPRGKRZSA-N 2 2 253.350 -0.022 20 0 CBADLP COCC[N@H+]1CC[C@H]([NH2+]CCCn2cncn2)C1 ZINC000381877474 544573845 /nfs/dbraw/zinc/57/38/45/544573845.db2.gz HDCPBXABCXGESH-LBPRGKRZSA-N 2 2 253.350 -0.022 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@@]3(O)C[C@H]3C2)CC1 ZINC000661713552 419521742 /nfs/dbraw/zinc/52/17/42/419521742.db2.gz PMLAVGDUXNZPKO-VNHYZAJKSA-N 2 2 281.400 -0.004 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@@]3(O)C[C@H]3C2)CC1 ZINC000661713552 419521749 /nfs/dbraw/zinc/52/17/49/419521749.db2.gz PMLAVGDUXNZPKO-VNHYZAJKSA-N 2 2 281.400 -0.004 20 0 CBADLP COCC[N@@H+]1CC[C@@H]([NH2+]CCCn2cncn2)C1 ZINC000381877472 544574319 /nfs/dbraw/zinc/57/43/19/544574319.db2.gz HDCPBXABCXGESH-GFCCVEGCSA-N 2 2 253.350 -0.022 20 0 CBADLP COCC[N@H+]1CC[C@@H]([NH2+]CCCn2cncn2)C1 ZINC000381877472 544574323 /nfs/dbraw/zinc/57/43/23/544574323.db2.gz HDCPBXABCXGESH-GFCCVEGCSA-N 2 2 253.350 -0.022 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC(CO)(CO)C2)CC1 ZINC000661971971 419541175 /nfs/dbraw/zinc/54/11/75/419541175.db2.gz YODFEYRRSPDYRN-CYBMUJFWSA-N 2 2 299.415 -0.784 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCC(CO)(CO)C2)CC1 ZINC000661971971 419541183 /nfs/dbraw/zinc/54/11/83/419541183.db2.gz YODFEYRRSPDYRN-CYBMUJFWSA-N 2 2 299.415 -0.784 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H]2COC[C@@H]2C1 ZINC000662037024 419541511 /nfs/dbraw/zinc/54/15/11/419541511.db2.gz TWKBHAFOYWCMOW-RDBSUJKOSA-N 2 2 272.389 -0.106 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H]2COC[C@@H]2C1 ZINC000662037024 419541516 /nfs/dbraw/zinc/54/15/16/419541516.db2.gz TWKBHAFOYWCMOW-RDBSUJKOSA-N 2 2 272.389 -0.106 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000662037024 419541519 /nfs/dbraw/zinc/54/15/19/419541519.db2.gz TWKBHAFOYWCMOW-RDBSUJKOSA-N 2 2 272.389 -0.106 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000662037024 419541526 /nfs/dbraw/zinc/54/15/26/419541526.db2.gz TWKBHAFOYWCMOW-RDBSUJKOSA-N 2 2 272.389 -0.106 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H]3COC[C@H]3C2)CC1 ZINC000662034082 419542015 /nfs/dbraw/zinc/54/20/15/419542015.db2.gz AWAWWUBMNQVUSK-CHWSQXEVSA-N 2 2 267.373 -0.271 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H]3COC[C@H]3C2)CC1 ZINC000662034082 419542019 /nfs/dbraw/zinc/54/20/19/419542019.db2.gz AWAWWUBMNQVUSK-CHWSQXEVSA-N 2 2 267.373 -0.271 20 0 CBADLP COCCOC[C@H]1CC[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662257251 419568166 /nfs/dbraw/zinc/56/81/66/419568166.db2.gz NVQXLVAYLSUILU-QWHCGFSZSA-N 2 2 258.362 -0.040 20 0 CBADLP COCCOC[C@H]1CC[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662257251 419568173 /nfs/dbraw/zinc/56/81/73/419568173.db2.gz NVQXLVAYLSUILU-QWHCGFSZSA-N 2 2 258.362 -0.040 20 0 CBADLP O=C(NCCC[NH+]1CCOCC1)NCCn1cc[nH+]c1 ZINC000192923793 419544975 /nfs/dbraw/zinc/54/49/75/419544975.db2.gz ATGLTCKYGKKZMW-UHFFFAOYSA-N 2 2 281.360 -0.095 20 0 CBADLP CCC[N@@H+]1CC[C@@H](NC[C@H](O)C[NH+]2CCOCC2)C1 ZINC000389556242 544576448 /nfs/dbraw/zinc/57/64/48/544576448.db2.gz RPLCUFAKTBGHCT-KGLIPLIRSA-N 2 2 271.405 -0.247 20 0 CBADLP CCC[N@H+]1CC[C@@H](NC[C@H](O)C[NH+]2CCOCC2)C1 ZINC000389556242 544576455 /nfs/dbraw/zinc/57/64/55/544576455.db2.gz RPLCUFAKTBGHCT-KGLIPLIRSA-N 2 2 271.405 -0.247 20 0 CBADLP CC(=O)[C@@](C)(O)C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662151787 419548602 /nfs/dbraw/zinc/54/86/02/419548602.db2.gz LIGOGQCQINCBPN-KGLIPLIRSA-N 2 2 270.373 -0.143 20 0 CBADLP CC(=O)[C@@](C)(O)C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662151787 419548609 /nfs/dbraw/zinc/54/86/09/419548609.db2.gz LIGOGQCQINCBPN-KGLIPLIRSA-N 2 2 270.373 -0.143 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C)[C@](C)(CO)C1 ZINC000662144097 419548643 /nfs/dbraw/zinc/54/86/43/419548643.db2.gz RYVCEPZZVRPNIS-IHRRRGAJSA-N 2 2 274.405 -0.124 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C)[C@](C)(CO)C1 ZINC000662144097 419548650 /nfs/dbraw/zinc/54/86/50/419548650.db2.gz RYVCEPZZVRPNIS-IHRRRGAJSA-N 2 2 274.405 -0.124 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C)[C@](C)(CO)C1 ZINC000662144097 419548656 /nfs/dbraw/zinc/54/86/56/419548656.db2.gz RYVCEPZZVRPNIS-IHRRRGAJSA-N 2 2 274.405 -0.124 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](C)[C@](C)(CO)C1 ZINC000662144097 419548664 /nfs/dbraw/zinc/54/86/64/419548664.db2.gz RYVCEPZZVRPNIS-IHRRRGAJSA-N 2 2 274.405 -0.124 20 0 CBADLP C[C@@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)C[C@]1(C)CO ZINC000662135269 419549297 /nfs/dbraw/zinc/54/92/97/419549297.db2.gz KVOAGGMCYBSSFD-TZMCWYRMSA-N 2 2 269.389 -0.289 20 0 CBADLP C[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)C[C@]1(C)CO ZINC000662135269 419549302 /nfs/dbraw/zinc/54/93/02/419549302.db2.gz KVOAGGMCYBSSFD-TZMCWYRMSA-N 2 2 269.389 -0.289 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C)[C@@](C)(CO)C1 ZINC000662144100 419550263 /nfs/dbraw/zinc/55/02/63/419550263.db2.gz RYVCEPZZVRPNIS-MELADBBJSA-N 2 2 274.405 -0.124 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C)[C@@](C)(CO)C1 ZINC000662144100 419550269 /nfs/dbraw/zinc/55/02/69/419550269.db2.gz RYVCEPZZVRPNIS-MELADBBJSA-N 2 2 274.405 -0.124 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C)[C@@](C)(CO)C1 ZINC000662144100 419550273 /nfs/dbraw/zinc/55/02/73/419550273.db2.gz RYVCEPZZVRPNIS-MELADBBJSA-N 2 2 274.405 -0.124 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](C)[C@@](C)(CO)C1 ZINC000662144100 419550281 /nfs/dbraw/zinc/55/02/81/419550281.db2.gz RYVCEPZZVRPNIS-MELADBBJSA-N 2 2 274.405 -0.124 20 0 CBADLP CCOC[C@@H](O)C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662157733 419550850 /nfs/dbraw/zinc/55/08/50/419550850.db2.gz PWLJLTVAALGQGM-KBPBESRZSA-N 2 2 272.389 -0.085 20 0 CBADLP CCOC[C@@H](O)C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662157733 419550854 /nfs/dbraw/zinc/55/08/54/419550854.db2.gz PWLJLTVAALGQGM-KBPBESRZSA-N 2 2 272.389 -0.085 20 0 CBADLP C[C@@H]1CN(C[C@@H]2C[NH2+]CCO2)C[C@H]1[NH+]1CCOCC1 ZINC000662266251 419569100 /nfs/dbraw/zinc/56/91/00/419569100.db2.gz ZSDAWMFBCYNCKL-HZSPNIEDSA-N 2 2 269.389 -0.373 20 0 CBADLP C[C@H](C(=O)N(C)C)[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662157884 419551832 /nfs/dbraw/zinc/55/18/32/419551832.db2.gz SQRCIQQJWYPWQB-DGCLKSJQSA-N 2 2 269.389 -0.006 20 0 CBADLP C[C@H](C(=O)N(C)C)[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662157884 419551835 /nfs/dbraw/zinc/55/18/35/419551835.db2.gz SQRCIQQJWYPWQB-DGCLKSJQSA-N 2 2 269.389 -0.006 20 0 CBADLP C[C@@H]1C[N@H+](C[C@@H]2C[NH2+]CCO2)C[C@H]1N1CCOCC1 ZINC000662266251 419569109 /nfs/dbraw/zinc/56/91/09/419569109.db2.gz ZSDAWMFBCYNCKL-HZSPNIEDSA-N 2 2 269.389 -0.373 20 0 CBADLP C[C@@H]1C[N@@H+](C[C@@H]2C[NH2+]CCO2)C[C@H]1N1CCOCC1 ZINC000662266251 419569119 /nfs/dbraw/zinc/56/91/19/419569119.db2.gz ZSDAWMFBCYNCKL-HZSPNIEDSA-N 2 2 269.389 -0.373 20 0 CBADLP Cc1cc(NC[C@]2(CO)COCC[NH2+]2)nc(C)[nH+]1 ZINC000641690766 419557137 /nfs/dbraw/zinc/55/71/37/419557137.db2.gz ZYNUYNDTYALEDW-LBPRGKRZSA-N 2 2 252.318 -0.144 20 0 CBADLP COCCCNC(=O)C1CC[NH+](C[C@@H]2C[NH2+]CCO2)CC1 ZINC000662251880 419561986 /nfs/dbraw/zinc/56/19/86/419561986.db2.gz GJTIWKDVWIJKSI-AWEZNQCLSA-N 2 2 299.415 -0.161 20 0 CBADLP CCc1nn(C)cc1C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000125865805 419494831 /nfs/dbraw/zinc/49/48/31/419494831.db2.gz HNMQUOWIEBJJLL-UHFFFAOYSA-N 2 2 279.388 -0.154 20 0 CBADLP CCc1nn(C)cc1C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000125865805 419494839 /nfs/dbraw/zinc/49/48/39/419494839.db2.gz HNMQUOWIEBJJLL-UHFFFAOYSA-N 2 2 279.388 -0.154 20 0 CBADLP CN(C)C(=O)C[N@H+](C)[C@H]1CCC[NH+](CC(=O)N(C)C)CC1 ZINC000156973015 419503581 /nfs/dbraw/zinc/50/35/81/419503581.db2.gz HNVOGXLOPFZEFQ-ZDUSSCGKSA-N 2 2 298.431 -0.051 20 0 CBADLP CN(C)C(=O)C[N@@H+](C)[C@H]1CCC[NH+](CC(=O)N(C)C)CC1 ZINC000156973015 419503589 /nfs/dbraw/zinc/50/35/89/419503589.db2.gz HNVOGXLOPFZEFQ-ZDUSSCGKSA-N 2 2 298.431 -0.051 20 0 CBADLP CN(C)C(=O)C[NH+](C)[C@H]1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC000156973015 419503596 /nfs/dbraw/zinc/50/35/96/419503596.db2.gz HNVOGXLOPFZEFQ-ZDUSSCGKSA-N 2 2 298.431 -0.051 20 0 CBADLP CN(C)C(=O)C[NH+](C)[C@H]1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC000156973015 419503602 /nfs/dbraw/zinc/50/36/02/419503602.db2.gz HNVOGXLOPFZEFQ-ZDUSSCGKSA-N 2 2 298.431 -0.051 20 0 CBADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H]1COCCO1 ZINC000661608310 419506825 /nfs/dbraw/zinc/50/68/25/419506825.db2.gz UZIOTOSIQPFMSF-GFCCVEGCSA-N 2 2 271.361 -0.892 20 0 CBADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H]1COCCO1 ZINC000661608310 419506830 /nfs/dbraw/zinc/50/68/30/419506830.db2.gz UZIOTOSIQPFMSF-GFCCVEGCSA-N 2 2 271.361 -0.892 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)CC1 ZINC000661610107 419509660 /nfs/dbraw/zinc/50/96/60/419509660.db2.gz QQXGIFKPXFCBNR-STQMWFEESA-N 2 2 294.399 -0.639 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)CC1 ZINC000661610107 419509665 /nfs/dbraw/zinc/50/96/65/419509665.db2.gz QQXGIFKPXFCBNR-STQMWFEESA-N 2 2 294.399 -0.639 20 0 CBADLP C[N@H+](Cc1coc(S(N)(=O)=O)c1)C1CC([NH3+])C1 ZINC000662272022 419569453 /nfs/dbraw/zinc/56/94/53/419569453.db2.gz BLTSIMYVLZGFHN-UHFFFAOYSA-N 2 2 259.331 -0.152 20 0 CBADLP C[N@@H+](Cc1coc(S(N)(=O)=O)c1)C1CC([NH3+])C1 ZINC000662272022 419569460 /nfs/dbraw/zinc/56/94/60/419569460.db2.gz BLTSIMYVLZGFHN-UHFFFAOYSA-N 2 2 259.331 -0.152 20 0 CBADLP CCCC[N@H+](C)CCNC(=O)CN1CC[NH2+]CC1=O ZINC000236711589 419571929 /nfs/dbraw/zinc/57/19/29/419571929.db2.gz MKRHMBOIRCEIML-UHFFFAOYSA-N 2 2 270.377 -0.734 20 0 CBADLP CCCC[N@@H+](C)CCNC(=O)CN1CC[NH2+]CC1=O ZINC000236711589 419571938 /nfs/dbraw/zinc/57/19/38/419571938.db2.gz MKRHMBOIRCEIML-UHFFFAOYSA-N 2 2 270.377 -0.734 20 0 CBADLP CC[NH+](CC)[C@H]1CCN(C(=O)CN2CC[NH2+]CC2=O)C1 ZINC000236904544 419572151 /nfs/dbraw/zinc/57/21/51/419572151.db2.gz ZHLVQODDENSYEH-LBPRGKRZSA-N 2 2 282.388 -0.639 20 0 CBADLP c1ncn(CC2CC[NH+](C[C@@H]3C[NH2+]CCO3)CC2)n1 ZINC000662278992 419575664 /nfs/dbraw/zinc/57/56/64/419575664.db2.gz DLYXYGCJFWQTBE-ZDUSSCGKSA-N 2 2 265.361 -0.022 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@@H]2CCCC[NH2+]2)CC1 ZINC000237113117 419578749 /nfs/dbraw/zinc/57/87/49/419578749.db2.gz HIOFZLBOWCIYRA-LBPRGKRZSA-N 2 2 255.362 -0.081 20 0 CBADLP [NH3+]CCN(Cc1[nH+]ccn1CC(F)(F)F)C[C@@H](O)CO ZINC000662287443 419579016 /nfs/dbraw/zinc/57/90/16/419579016.db2.gz ADDHFLBVKCIOBK-SECBINFHSA-N 2 2 296.293 -0.441 20 0 CBADLP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+](C)CC(C)(C)[NH3+] ZINC000662297723 419580115 /nfs/dbraw/zinc/58/01/15/419580115.db2.gz PPZREJQEKOYLAF-GHMZBOCLSA-N 2 2 284.404 -0.232 20 0 CBADLP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@@H+](C)CC(C)(C)[NH3+] ZINC000662297723 419580123 /nfs/dbraw/zinc/58/01/23/419580123.db2.gz PPZREJQEKOYLAF-GHMZBOCLSA-N 2 2 284.404 -0.232 20 0 CBADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)CN1CC[NH2+]CC1=O ZINC000237403946 419581539 /nfs/dbraw/zinc/58/15/39/419581539.db2.gz SXAGLHBSXQRRIN-LLVKDONJSA-N 2 2 293.371 -0.624 20 0 CBADLP c1cn(C[C@H]2CC[N@H+](C[C@@H]3C[NH2+]CCO3)C2)nn1 ZINC000662296854 419581997 /nfs/dbraw/zinc/58/19/97/419581997.db2.gz VATGZYLCKYERJO-RYUDHWBXSA-N 2 2 251.334 -0.412 20 0 CBADLP c1cn(C[C@H]2CC[N@@H+](C[C@@H]3C[NH2+]CCO3)C2)nn1 ZINC000662296854 419582006 /nfs/dbraw/zinc/58/20/06/419582006.db2.gz VATGZYLCKYERJO-RYUDHWBXSA-N 2 2 251.334 -0.412 20 0 CBADLP C[C@H](C(=O)N1CC[NH2+]C[C@@H]1C)[NH+]1CCN(C)CC1 ZINC000647711373 419639439 /nfs/dbraw/zinc/63/94/39/419639439.db2.gz HZGFAZHSHXRGFS-NWDGAFQWSA-N 2 2 254.378 -0.557 20 0 CBADLP O=C(C[C@@H]1CC[NH2+]C1)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000394388156 544581809 /nfs/dbraw/zinc/58/18/09/544581809.db2.gz YBDQHIFFZJNSEB-STQMWFEESA-N 2 2 266.389 -0.508 20 0 CBADLP O=C(C[C@@H]1CC[NH2+]C1)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000394388156 544581814 /nfs/dbraw/zinc/58/18/14/544581814.db2.gz YBDQHIFFZJNSEB-STQMWFEESA-N 2 2 266.389 -0.508 20 0 CBADLP O=C1CCCN1C[C@@H]1CC[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662314669 419585155 /nfs/dbraw/zinc/58/51/55/419585155.db2.gz AKKUGERSSBVXKS-CHWSQXEVSA-N 2 2 267.373 -0.081 20 0 CBADLP O=C1CCCN1C[C@@H]1CC[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662314669 419585158 /nfs/dbraw/zinc/58/51/58/419585158.db2.gz AKKUGERSSBVXKS-CHWSQXEVSA-N 2 2 267.373 -0.081 20 0 CBADLP [NH3+]Cc1nc(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)cs1 ZINC000394381912 544582060 /nfs/dbraw/zinc/58/20/60/544582060.db2.gz UPCPKCOVOQRJTM-SNVBAGLBSA-N 2 2 295.412 -0.279 20 0 CBADLP [NH3+]Cc1nc(C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)cs1 ZINC000394381912 544582062 /nfs/dbraw/zinc/58/20/62/544582062.db2.gz UPCPKCOVOQRJTM-SNVBAGLBSA-N 2 2 295.412 -0.279 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000238108336 419588028 /nfs/dbraw/zinc/58/80/28/419588028.db2.gz QKIKSYRAQDCUKE-NSHDSACASA-N 2 2 280.372 -0.981 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000238108336 419588035 /nfs/dbraw/zinc/58/80/35/419588035.db2.gz QKIKSYRAQDCUKE-NSHDSACASA-N 2 2 280.372 -0.981 20 0 CBADLP CC(C)OC[C@H]([NH3+])C(=O)NCC[NH+]1CCOCC1 ZINC000662350175 419588966 /nfs/dbraw/zinc/58/89/66/419588966.db2.gz YGQCNLOSFHIPAH-NSHDSACASA-N 2 2 259.350 -0.813 20 0 CBADLP C[C@@H](C[NH2+]C[C@H](O)C[NH+]1CCCCC1)S(C)(=O)=O ZINC000647517974 419596483 /nfs/dbraw/zinc/59/64/83/419596483.db2.gz YEHNWUODVWVACK-RYUDHWBXSA-N 2 2 278.418 -0.144 20 0 CBADLP C[C@@]1(C[N@@H+]2CCC[C@H](NS(C)(=O)=O)C2)CC[NH2+]C1 ZINC000647513833 419598898 /nfs/dbraw/zinc/59/88/98/419598898.db2.gz IRCKIIZITOACHE-NWDGAFQWSA-N 2 2 275.418 0.000 20 0 CBADLP C[C@@]1(C[N@H+]2CCC[C@H](NS(C)(=O)=O)C2)CC[NH2+]C1 ZINC000647513833 419598905 /nfs/dbraw/zinc/59/89/05/419598905.db2.gz IRCKIIZITOACHE-NWDGAFQWSA-N 2 2 275.418 0.000 20 0 CBADLP CO[C@@H]1CC[C@@H](C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])C1 ZINC000662427688 419601153 /nfs/dbraw/zinc/60/11/53/419601153.db2.gz APSWYFRXCYKZTC-IJLUTSLNSA-N 2 2 255.362 -0.097 20 0 CBADLP CO[C@@H]1CC[C@@H](C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])C1 ZINC000662427688 419601158 /nfs/dbraw/zinc/60/11/58/419601158.db2.gz APSWYFRXCYKZTC-IJLUTSLNSA-N 2 2 255.362 -0.097 20 0 CBADLP CNC(=O)[C@@H](CO)[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000647526551 419603199 /nfs/dbraw/zinc/60/31/99/419603199.db2.gz GHSCCDWRBVAINN-ZIAGYGMSSA-N 2 2 295.383 -0.824 20 0 CBADLP CNC(=O)[C@@H](CO)[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000647526551 419603208 /nfs/dbraw/zinc/60/32/08/419603208.db2.gz GHSCCDWRBVAINN-ZIAGYGMSSA-N 2 2 295.383 -0.824 20 0 CBADLP CC1(C)COCC[N@@H+]1CCNC(=O)c1cn(CC[NH3+])nn1 ZINC000662443600 419606191 /nfs/dbraw/zinc/60/61/91/419606191.db2.gz TUKQHIKRQUFWFA-UHFFFAOYSA-N 2 2 296.375 -0.923 20 0 CBADLP CC1(C)COCC[N@H+]1CCNC(=O)c1cn(CC[NH3+])nn1 ZINC000662443600 419606196 /nfs/dbraw/zinc/60/61/96/419606196.db2.gz TUKQHIKRQUFWFA-UHFFFAOYSA-N 2 2 296.375 -0.923 20 0 CBADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000662449040 419611105 /nfs/dbraw/zinc/61/11/05/419611105.db2.gz IMRJWLUSLDPQPU-XQQFMLRXSA-N 2 2 268.405 -0.134 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@](CO)(OC)C1 ZINC000401813910 544584769 /nfs/dbraw/zinc/58/47/69/544584769.db2.gz WESZBTBGXFYXEF-OLZOCXBDSA-N 2 2 260.378 -0.228 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@](CO)(OC)C1 ZINC000401813910 544584774 /nfs/dbraw/zinc/58/47/74/544584774.db2.gz WESZBTBGXFYXEF-OLZOCXBDSA-N 2 2 260.378 -0.228 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@](CO)(OC)C1 ZINC000401813910 544584779 /nfs/dbraw/zinc/58/47/79/544584779.db2.gz WESZBTBGXFYXEF-OLZOCXBDSA-N 2 2 260.378 -0.228 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@](CO)(OC)C1 ZINC000401813910 544584782 /nfs/dbraw/zinc/58/47/82/544584782.db2.gz WESZBTBGXFYXEF-OLZOCXBDSA-N 2 2 260.378 -0.228 20 0 CBADLP C[NH+](C)CC(=O)NC[C@@H](NC(=O)C[NH+](C)C)C(F)(F)F ZINC000647613442 419624425 /nfs/dbraw/zinc/62/44/25/419624425.db2.gz WCEUXRRFDLULDT-MRVPVSSYSA-N 2 2 298.309 -0.727 20 0 CBADLP C[N@@H+]1CCN(C[C@@H](O)C[NH+]2CCOCC2)CC1(C)C ZINC000312078829 419625592 /nfs/dbraw/zinc/62/55/92/419625592.db2.gz RRZZBFGWYXJWHR-ZDUSSCGKSA-N 2 2 271.405 -0.295 20 0 CBADLP C[N@H+]1CCN(C[C@@H](O)C[NH+]2CCOCC2)CC1(C)C ZINC000312078829 419625599 /nfs/dbraw/zinc/62/55/99/419625599.db2.gz RRZZBFGWYXJWHR-ZDUSSCGKSA-N 2 2 271.405 -0.295 20 0 CBADLP O=C(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)NC[C@@H]1CCCO1 ZINC000312044314 419625805 /nfs/dbraw/zinc/62/58/05/419625805.db2.gz YAWGAEUKIJOALQ-AGIUHOORSA-N 2 2 267.373 -0.177 20 0 CBADLP O=C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)NC[C@@H]1CCCO1 ZINC000312044314 419625812 /nfs/dbraw/zinc/62/58/12/419625812.db2.gz YAWGAEUKIJOALQ-AGIUHOORSA-N 2 2 267.373 -0.177 20 0 CBADLP O=C(c1c[nH]nc1[C@@H]1CC[NH2+]C1)N1CC[NH+](CCO)CC1 ZINC000662517733 419631326 /nfs/dbraw/zinc/63/13/26/419631326.db2.gz XLSPURWRUGDDMW-LLVKDONJSA-N 2 2 293.371 -0.763 20 0 CBADLP O=C(C[NH2+]CC1CC1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000662655498 419669210 /nfs/dbraw/zinc/66/92/10/419669210.db2.gz IKLBNFDFARMCCJ-ZDUSSCGKSA-N 2 2 267.373 -0.081 20 0 CBADLP Nc1[nH+]cnc(NC[C@H]2C[NH2+]CCCO2)c1Cl ZINC000333642976 419669478 /nfs/dbraw/zinc/66/94/78/419669478.db2.gz INTNICCFYGPDNT-SSDOTTSWSA-N 2 2 257.725 0.503 20 0 CBADLP Nc1nc[nH+]c(NC[C@H]2C[NH2+]CCCO2)c1Cl ZINC000333642976 419669488 /nfs/dbraw/zinc/66/94/88/419669488.db2.gz INTNICCFYGPDNT-SSDOTTSWSA-N 2 2 257.725 0.503 20 0 CBADLP O=C([C@@H]1C[C@@]12CC[NH2+]C2)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000662657074 419670075 /nfs/dbraw/zinc/67/00/75/419670075.db2.gz WWKKIQAMLVFOEP-VNHYZAJKSA-N 2 2 279.384 -0.081 20 0 CBADLP O=C([C@@H]1C[C@@]12CC[NH2+]C2)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000662657071 419670331 /nfs/dbraw/zinc/67/03/31/419670331.db2.gz WWKKIQAMLVFOEP-KCQAQPDRSA-N 2 2 279.384 -0.081 20 0 CBADLP C[N@H+](CCC[NH3+])CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000647848173 419670439 /nfs/dbraw/zinc/67/04/39/419670439.db2.gz IMHJOMNMAOKQCM-UHFFFAOYSA-N 2 2 282.388 -0.652 20 0 CBADLP C[N@@H+](CCC[NH3+])CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000647848173 419670446 /nfs/dbraw/zinc/67/04/46/419670446.db2.gz IMHJOMNMAOKQCM-UHFFFAOYSA-N 2 2 282.388 -0.652 20 0 CBADLP O=C(COC1CC[NH2+]CC1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000662655842 419671788 /nfs/dbraw/zinc/67/17/88/419671788.db2.gz LLHPIOGGJIIEJR-CYBMUJFWSA-N 2 2 297.399 -0.312 20 0 CBADLP [NH3+]C1(CC(=O)N2CC[NH+](CC(=O)N3CCCC3)CC2)CC1 ZINC000662665357 419672292 /nfs/dbraw/zinc/67/22/92/419672292.db2.gz IFGIBAFJNMXORT-UHFFFAOYSA-N 2 2 294.399 -0.366 20 0 CBADLP C[C@@H]([NH3+])[C@H]1C[N@H+](CCC(=O)N2CCOCC2)CCO1 ZINC000647863022 419673910 /nfs/dbraw/zinc/67/39/10/419673910.db2.gz WSPPBDKXFMAYMN-VXGBXAGGSA-N 2 2 271.361 -0.717 20 0 CBADLP C[C@@H]([NH3+])[C@H]1C[N@@H+](CCC(=O)N2CCOCC2)CCO1 ZINC000647863022 419673918 /nfs/dbraw/zinc/67/39/18/419673918.db2.gz WSPPBDKXFMAYMN-VXGBXAGGSA-N 2 2 271.361 -0.717 20 0 CBADLP C[C@@H]([NH3+])[C@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)CCO1 ZINC000647865683 419675016 /nfs/dbraw/zinc/67/50/16/419675016.db2.gz QDCHZQGCLIBTDQ-CHWSQXEVSA-N 3 2 284.404 -0.802 20 0 CBADLP C[C@@H]([NH3+])[C@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)CCO1 ZINC000647865683 419675020 /nfs/dbraw/zinc/67/50/20/419675020.db2.gz QDCHZQGCLIBTDQ-CHWSQXEVSA-N 3 2 284.404 -0.802 20 0 CBADLP CN1CC[N@H+](C)C[C@H]1CNc1nc[nH+]c2c1OCCN2 ZINC000647868206 419676227 /nfs/dbraw/zinc/67/62/27/419676227.db2.gz KXSGNAWSZFNZSS-SNVBAGLBSA-N 2 2 278.360 -0.061 20 0 CBADLP CN1CC[N@@H+](C)C[C@H]1CNc1nc[nH+]c2c1OCCN2 ZINC000647868206 419676231 /nfs/dbraw/zinc/67/62/31/419676231.db2.gz KXSGNAWSZFNZSS-SNVBAGLBSA-N 2 2 278.360 -0.061 20 0 CBADLP C[C@@H]([NH3+])[C@@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)CCO1 ZINC000647865684 419676604 /nfs/dbraw/zinc/67/66/04/419676604.db2.gz QDCHZQGCLIBTDQ-OLZOCXBDSA-N 3 2 284.404 -0.802 20 0 CBADLP C[C@@H]([NH3+])[C@@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)CCO1 ZINC000647865684 419676612 /nfs/dbraw/zinc/67/66/12/419676612.db2.gz QDCHZQGCLIBTDQ-OLZOCXBDSA-N 3 2 284.404 -0.802 20 0 CBADLP CCNC(=O)CCC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000647873407 419679193 /nfs/dbraw/zinc/67/91/93/419679193.db2.gz GGBMEBORNJUAOL-SNVBAGLBSA-N 2 2 256.350 -0.996 20 0 CBADLP C[NH+](C)C[C@](C)(O)CNc1nc[nH+]c2c1OCCN2 ZINC000647874102 419679608 /nfs/dbraw/zinc/67/96/08/419679608.db2.gz SGPZRWSXLGRMKX-GFCCVEGCSA-N 2 2 267.333 0.005 20 0 CBADLP C[NH+](C)C[C@](C)(O)CNc1[nH+]cnc2c1OCCN2 ZINC000647874102 419679616 /nfs/dbraw/zinc/67/96/16/419679616.db2.gz SGPZRWSXLGRMKX-GFCCVEGCSA-N 2 2 267.333 0.005 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)CC2([NH3+])CC2)CC1 ZINC000662681278 419681051 /nfs/dbraw/zinc/68/10/51/419681051.db2.gz YFEUSQAZZYPLJW-UHFFFAOYSA-N 2 2 268.361 -0.852 20 0 CBADLP Cc1noc(C)c1C[NH+]1CCN(C(=O)C2(O)C[NH2+]C2)CC1 ZINC000662685949 419682834 /nfs/dbraw/zinc/68/28/34/419682834.db2.gz JEEGPYZCGPRPJE-UHFFFAOYSA-N 2 2 294.355 -0.730 20 0 CBADLP CNS(=O)(=O)[C@@H]1CCC[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647885862 419683452 /nfs/dbraw/zinc/68/34/52/419683452.db2.gz YZHMUBVGDDUNKV-WDEREUQCSA-N 2 2 261.391 -0.391 20 0 CBADLP CNS(=O)(=O)[C@@H]1CCC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647885862 419683460 /nfs/dbraw/zinc/68/34/60/419683460.db2.gz YZHMUBVGDDUNKV-WDEREUQCSA-N 2 2 261.391 -0.391 20 0 CBADLP CNS(=O)(=O)[C@@H]1CCC[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647885859 419683653 /nfs/dbraw/zinc/68/36/53/419683653.db2.gz YZHMUBVGDDUNKV-GHMZBOCLSA-N 2 2 261.391 -0.391 20 0 CBADLP CNS(=O)(=O)[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647885859 419683657 /nfs/dbraw/zinc/68/36/57/419683657.db2.gz YZHMUBVGDDUNKV-GHMZBOCLSA-N 2 2 261.391 -0.391 20 0 CBADLP CS(=O)(=O)N[C@H]1CCC[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647877262 419685318 /nfs/dbraw/zinc/68/53/18/419685318.db2.gz MNFIOHPTXCAINV-QWRGUYRKSA-N 2 2 261.391 -0.391 20 0 CBADLP CS(=O)(=O)N[C@H]1CCC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000647877262 419685320 /nfs/dbraw/zinc/68/53/20/419685320.db2.gz MNFIOHPTXCAINV-QWRGUYRKSA-N 2 2 261.391 -0.391 20 0 CBADLP CCN1C(=O)[C@@H]2C[N@H+](C[C@H]3CC[NH2+]C3)CCN2C1=O ZINC000647891466 419687185 /nfs/dbraw/zinc/68/71/85/419687185.db2.gz HTJFOSZVSRCEQH-QWRGUYRKSA-N 2 2 266.345 -0.436 20 0 CBADLP CCN1C(=O)[C@@H]2C[N@@H+](C[C@H]3CC[NH2+]C3)CCN2C1=O ZINC000647891466 419687196 /nfs/dbraw/zinc/68/71/96/419687196.db2.gz HTJFOSZVSRCEQH-QWRGUYRKSA-N 2 2 266.345 -0.436 20 0 CBADLP CCN1C(=O)[C@H]2C[N@H+](C[C@@H]3CC[NH2+]C3)CCN2C1=O ZINC000647891464 419689105 /nfs/dbraw/zinc/68/91/05/419689105.db2.gz HTJFOSZVSRCEQH-GHMZBOCLSA-N 2 2 266.345 -0.436 20 0 CBADLP CCN1C(=O)[C@H]2C[N@@H+](C[C@@H]3CC[NH2+]C3)CCN2C1=O ZINC000647891464 419689110 /nfs/dbraw/zinc/68/91/10/419689110.db2.gz HTJFOSZVSRCEQH-GHMZBOCLSA-N 2 2 266.345 -0.436 20 0 CBADLP CC[C@H]1C[N@H+](CC(=O)N2CCNC(=O)C2)CC[C@H]1[NH3+] ZINC000647937929 419690486 /nfs/dbraw/zinc/69/04/86/419690486.db2.gz FDBHQPFFUCGETE-WDEREUQCSA-N 2 2 268.361 -0.996 20 0 CBADLP CC[C@H]1C[N@@H+](CC(=O)N2CCNC(=O)C2)CC[C@H]1[NH3+] ZINC000647937929 419690495 /nfs/dbraw/zinc/69/04/95/419690495.db2.gz FDBHQPFFUCGETE-WDEREUQCSA-N 2 2 268.361 -0.996 20 0 CBADLP O=C(N1CCC[C@@H](c2[nH]cc[nH+]2)C1)C1(O)C[NH2+]C1 ZINC000662694266 419691049 /nfs/dbraw/zinc/69/10/49/419691049.db2.gz ZQBWFOBTJVJFRH-SECBINFHSA-N 2 2 250.302 -0.550 20 0 CBADLP CC(C)OC[C@H]([NH3+])C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000662699620 419691754 /nfs/dbraw/zinc/69/17/54/419691754.db2.gz CQUBGYMTKWMGSE-RYUDHWBXSA-N 2 2 273.377 -0.424 20 0 CBADLP CC(C)OC[C@H]([NH3+])C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000662699620 419691763 /nfs/dbraw/zinc/69/17/63/419691763.db2.gz CQUBGYMTKWMGSE-RYUDHWBXSA-N 2 2 273.377 -0.424 20 0 CBADLP CC[C@@H]1C[N@H+](CC(=O)N[C@H](C)C(=O)N(C)C)CC[C@@H]1[NH3+] ZINC000647936543 419692621 /nfs/dbraw/zinc/69/26/21/419692621.db2.gz GXLJGTSWPGNWBE-UTUOFQBUSA-N 2 2 284.404 -0.362 20 0 CBADLP CC[C@@H]1C[N@@H+](CC(=O)N[C@H](C)C(=O)N(C)C)CC[C@@H]1[NH3+] ZINC000647936543 419692630 /nfs/dbraw/zinc/69/26/30/419692630.db2.gz GXLJGTSWPGNWBE-UTUOFQBUSA-N 2 2 284.404 -0.362 20 0 CBADLP CC1(C)C[N@H+](CCNC(=O)[C@H]2CCO[C@@H]2C[NH3+])CCO1 ZINC000662702083 419693257 /nfs/dbraw/zinc/69/32/57/419693257.db2.gz XCDPINSIJXYBJO-NWDGAFQWSA-N 2 2 285.388 -0.423 20 0 CBADLP CC1([NH3+])CC[NH+](CC(=O)NCC(=O)N2CCCC2)CC1 ZINC000647925619 419693260 /nfs/dbraw/zinc/69/32/60/419693260.db2.gz QMAJLENUNGKWDK-UHFFFAOYSA-N 2 2 282.388 -0.462 20 0 CBADLP CC1(C)C[N@@H+](CCNC(=O)[C@H]2CCO[C@@H]2C[NH3+])CCO1 ZINC000662702083 419693263 /nfs/dbraw/zinc/69/32/63/419693263.db2.gz XCDPINSIJXYBJO-NWDGAFQWSA-N 2 2 285.388 -0.423 20 0 CBADLP CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000662704230 419693662 /nfs/dbraw/zinc/69/36/62/419693662.db2.gz XAQUPDSBKHADQU-NEPJUHHUSA-N 3 2 256.394 -0.134 20 0 CBADLP CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000662704230 419693669 /nfs/dbraw/zinc/69/36/69/419693669.db2.gz XAQUPDSBKHADQU-NEPJUHHUSA-N 3 2 256.394 -0.134 20 0 CBADLP CC[C@@H]1C[N@H+](CC(=O)NCC(=O)N2CCCC2)CC[C@@H]1[NH3+] ZINC000647938025 419694199 /nfs/dbraw/zinc/69/41/99/419694199.db2.gz GQHRVKXRYIPAFO-OLZOCXBDSA-N 2 2 296.415 -0.216 20 0 CBADLP CC[C@@H]1C[N@@H+](CC(=O)NCC(=O)N2CCCC2)CC[C@@H]1[NH3+] ZINC000647938025 419694205 /nfs/dbraw/zinc/69/42/05/419694205.db2.gz GQHRVKXRYIPAFO-OLZOCXBDSA-N 2 2 296.415 -0.216 20 0 CBADLP C[C@H]([NH3+])C(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000662704340 419694257 /nfs/dbraw/zinc/69/42/57/419694257.db2.gz YZDBJHOJCZSHGB-NSHDSACASA-N 2 2 255.362 -0.096 20 0 CBADLP COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](CCC[NH3+])C1 ZINC000414744064 544591085 /nfs/dbraw/zinc/59/10/85/544591085.db2.gz HUMKVWBBGAZDAV-GFCCVEGCSA-N 2 2 293.433 -0.292 20 0 CBADLP COCCN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](CCC[NH3+])C1 ZINC000414744064 544591087 /nfs/dbraw/zinc/59/10/87/544591087.db2.gz HUMKVWBBGAZDAV-GFCCVEGCSA-N 2 2 293.433 -0.292 20 0 CBADLP C[C@@H]([NH3+])C(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000662704336 419695336 /nfs/dbraw/zinc/69/53/36/419695336.db2.gz YZDBJHOJCZSHGB-LLVKDONJSA-N 2 2 255.362 -0.096 20 0 CBADLP CNC(=O)[C@@H]1CCC[N@@H+]1C[C@@H](O)C[NH+](C)CCOC ZINC000647960825 419695678 /nfs/dbraw/zinc/69/56/78/419695678.db2.gz MHECBDNOTPLZCF-RYUDHWBXSA-N 2 2 273.377 -0.864 20 0 CBADLP CNC(=O)[C@@H]1CCC[N@H+]1C[C@@H](O)C[NH+](C)CCOC ZINC000647960825 419695697 /nfs/dbraw/zinc/69/56/97/419695697.db2.gz MHECBDNOTPLZCF-RYUDHWBXSA-N 2 2 273.377 -0.864 20 0 CBADLP CNC(=O)[C@@H]1CCC[NH+]1C[C@@H](O)C[N@H+](C)CCOC ZINC000647960825 419695701 /nfs/dbraw/zinc/69/57/01/419695701.db2.gz MHECBDNOTPLZCF-RYUDHWBXSA-N 2 2 273.377 -0.864 20 0 CBADLP CNC(=O)[C@@H]1CCC[NH+]1C[C@@H](O)C[N@@H+](C)CCOC ZINC000647960825 419695709 /nfs/dbraw/zinc/69/57/09/419695709.db2.gz MHECBDNOTPLZCF-RYUDHWBXSA-N 2 2 273.377 -0.864 20 0 CBADLP COCCN(C)S(=O)(=O)[C@H]1CCC[N@H+](CCC[NH3+])C1 ZINC000414744085 544591266 /nfs/dbraw/zinc/59/12/66/544591266.db2.gz HUMKVWBBGAZDAV-LBPRGKRZSA-N 2 2 293.433 -0.292 20 0 CBADLP COCCN(C)S(=O)(=O)[C@H]1CCC[N@@H+](CCC[NH3+])C1 ZINC000414744085 544591268 /nfs/dbraw/zinc/59/12/68/544591268.db2.gz HUMKVWBBGAZDAV-LBPRGKRZSA-N 2 2 293.433 -0.292 20 0 CBADLP O=C(C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2)N1CCOCC1 ZINC000647957998 419700249 /nfs/dbraw/zinc/70/02/49/419700249.db2.gz CKYFAODPEVPXQI-CQSZACIVSA-N 2 2 267.373 -0.079 20 0 CBADLP O=C(C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)N1CCOCC1 ZINC000647957998 419700252 /nfs/dbraw/zinc/70/02/52/419700252.db2.gz CKYFAODPEVPXQI-CQSZACIVSA-N 2 2 267.373 -0.079 20 0 CBADLP C[C@H]([C@H](C)NC(=O)[C@@H]1CCO[C@@H]1C[NH3+])[NH+]1CCOCC1 ZINC000662721312 419702068 /nfs/dbraw/zinc/70/20/68/419702068.db2.gz UCLKCWKFOYKAPH-UMSGYPCISA-N 2 2 285.388 -0.424 20 0 CBADLP C[C@H]([C@H](C)NC(=O)[C@@H]1CCO[C@H]1C[NH3+])[NH+]1CCOCC1 ZINC000662721310 419703672 /nfs/dbraw/zinc/70/36/72/419703672.db2.gz UCLKCWKFOYKAPH-LOWDOPEQSA-N 2 2 285.388 -0.424 20 0 CBADLP Cc1cccc2[nH+]c(CNC(=O)C3(O)C[NH2+]C3)cn21 ZINC000662726648 419703819 /nfs/dbraw/zinc/70/38/19/419703819.db2.gz IHBYNLCGQJEPGS-UHFFFAOYSA-N 2 2 260.297 -0.407 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000647973983 419703850 /nfs/dbraw/zinc/70/38/50/419703850.db2.gz OCYIPJRHQQXLPS-UONOGXRCSA-N 3 2 280.416 -0.166 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000647973983 419703855 /nfs/dbraw/zinc/70/38/55/419703855.db2.gz OCYIPJRHQQXLPS-UONOGXRCSA-N 3 2 280.416 -0.166 20 0 CBADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCC(=O)N1CC[NH2+]CC1 ZINC000647988045 419704631 /nfs/dbraw/zinc/70/46/31/419704631.db2.gz IQRAWPFOVDUHSI-LLVKDONJSA-N 3 2 256.394 -0.229 20 0 CBADLP O=C(CC[N@@H+]1CC[C@H]2CC[NH2+][C@@H]2C1)N1CC[NH2+]CC1 ZINC000647987649 419704789 /nfs/dbraw/zinc/70/47/89/419704789.db2.gz NUICXOQVMMYUQF-CHWSQXEVSA-N 3 2 266.389 -0.508 20 0 CBADLP O=C(CC[N@H+]1CC[C@H]2CC[NH2+][C@@H]2C1)N1CC[NH2+]CC1 ZINC000647987649 419704792 /nfs/dbraw/zinc/70/47/92/419704792.db2.gz NUICXOQVMMYUQF-CHWSQXEVSA-N 3 2 266.389 -0.508 20 0 CBADLP Cn1cc(C[NH+]2CCN(C(=O)[C@H]3C[C@H]([NH3+])C3)CC2)cn1 ZINC000662759748 419710095 /nfs/dbraw/zinc/71/00/95/419710095.db2.gz VSQFRYMDHGAPHF-JOCQHMNTSA-N 2 2 277.372 -0.198 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)Nc2ccn(CC[NH+](C)C)n2)[N@H+](C)C1 ZINC000330523422 419642901 /nfs/dbraw/zinc/64/29/01/419642901.db2.gz BBKZEDDZYBXCAS-RYUDHWBXSA-N 2 2 295.387 0.102 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)Nc2ccn(CC[NH+](C)C)n2)[N@@H+](C)C1 ZINC000330523422 419642909 /nfs/dbraw/zinc/64/29/09/419642909.db2.gz BBKZEDDZYBXCAS-RYUDHWBXSA-N 2 2 295.387 0.102 20 0 CBADLP COC[C@]1(C(=O)N(C)Cc2c[nH+]c[nH]2)CC[NH2+]C1 ZINC000662586522 419648482 /nfs/dbraw/zinc/64/84/82/419648482.db2.gz VDXCYTVKWPTRPJ-LBPRGKRZSA-N 2 2 252.318 -0.006 20 0 CBADLP COC[C@]1(C(=O)N(C)Cc2c[nH]c[nH+]2)CC[NH2+]C1 ZINC000662586522 419648484 /nfs/dbraw/zinc/64/84/84/419648484.db2.gz VDXCYTVKWPTRPJ-LBPRGKRZSA-N 2 2 252.318 -0.006 20 0 CBADLP C[NH+](C)CC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000330679803 419649775 /nfs/dbraw/zinc/64/97/75/419649775.db2.gz XYFDXUGFSKZBML-UHFFFAOYSA-N 2 2 281.360 -0.285 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000662633515 419656957 /nfs/dbraw/zinc/65/69/57/419656957.db2.gz LWLCQFNNSPDYMZ-GFCCVEGCSA-N 3 2 256.394 -0.262 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000662633515 419656964 /nfs/dbraw/zinc/65/69/64/419656964.db2.gz LWLCQFNNSPDYMZ-GFCCVEGCSA-N 3 2 256.394 -0.262 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000647793275 419657333 /nfs/dbraw/zinc/65/73/33/419657333.db2.gz RNWVBEVIXZJZLR-MELADBBJSA-N 3 2 280.416 -0.262 20 0 CBADLP CO[C@H](C[NH3+])CC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000662633074 419658879 /nfs/dbraw/zinc/65/88/79/419658879.db2.gz JEYSJHXEJGWXPE-SRVKXCTJSA-N 2 2 273.377 -0.424 20 0 CBADLP CO[C@H](C[NH3+])CC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000662633074 419658884 /nfs/dbraw/zinc/65/88/84/419658884.db2.gz JEYSJHXEJGWXPE-SRVKXCTJSA-N 2 2 273.377 -0.424 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C1(C)C[NH2+]C1 ZINC000662630718 419659206 /nfs/dbraw/zinc/65/92/06/419659206.db2.gz HUMLWQOFIRQHLA-UHFFFAOYSA-N 3 2 256.394 -0.404 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C1(C)C[NH2+]C1 ZINC000662630718 419659213 /nfs/dbraw/zinc/65/92/13/419659213.db2.gz HUMLWQOFIRQHLA-UHFFFAOYSA-N 3 2 256.394 -0.404 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1[NH2+]CC1(C)C ZINC000662632126 419660069 /nfs/dbraw/zinc/66/00/69/419660069.db2.gz MVZVWDHNHNPPAA-GFCCVEGCSA-N 3 2 270.421 -0.016 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1[NH2+]CC1(C)C ZINC000662632126 419660073 /nfs/dbraw/zinc/66/00/73/419660073.db2.gz MVZVWDHNHNPPAA-GFCCVEGCSA-N 3 2 270.421 -0.016 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000662632875 419660256 /nfs/dbraw/zinc/66/02/56/419660256.db2.gz VKHOUTABXNCFBO-CYBMUJFWSA-N 3 2 270.421 -0.014 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000662632875 419660263 /nfs/dbraw/zinc/66/02/63/419660263.db2.gz VKHOUTABXNCFBO-CYBMUJFWSA-N 3 2 270.421 -0.014 20 0 CBADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)CCOC1C[NH2+]C1 ZINC000662633070 419660424 /nfs/dbraw/zinc/66/04/24/419660424.db2.gz JEMCQRNUNNEWKX-NEPJUHHUSA-N 2 2 285.388 -0.410 20 0 CBADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)CCOC1C[NH2+]C1 ZINC000662633070 419660429 /nfs/dbraw/zinc/66/04/29/419660429.db2.gz JEMCQRNUNNEWKX-NEPJUHHUSA-N 2 2 285.388 -0.410 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000662836988 419742902 /nfs/dbraw/zinc/74/29/02/419742902.db2.gz FPYOJRCZZKAHBR-QWHCGFSZSA-N 2 2 294.399 -0.449 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000662836988 419742906 /nfs/dbraw/zinc/74/29/06/419742906.db2.gz FPYOJRCZZKAHBR-QWHCGFSZSA-N 2 2 294.399 -0.449 20 0 CBADLP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000662838815 419743165 /nfs/dbraw/zinc/74/31/65/419743165.db2.gz KGIZMKJGWCTGEH-NSHDSACASA-N 2 2 267.333 -0.532 20 0 CBADLP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000662838815 419743172 /nfs/dbraw/zinc/74/31/72/419743172.db2.gz KGIZMKJGWCTGEH-NSHDSACASA-N 2 2 267.333 -0.532 20 0 CBADLP CN(Cc1c[nH+]c[nH]1)C(=O)CN1CCCC[C@@H]([NH3+])C1=O ZINC000662838463 419744324 /nfs/dbraw/zinc/74/43/24/419744324.db2.gz GVWZKSBLFIBFIO-LLVKDONJSA-N 2 2 279.344 -0.292 20 0 CBADLP CN(Cc1c[nH]c[nH+]1)C(=O)CN1CCCC[C@@H]([NH3+])C1=O ZINC000662838463 419744334 /nfs/dbraw/zinc/74/43/34/419744334.db2.gz GVWZKSBLFIBFIO-LLVKDONJSA-N 2 2 279.344 -0.292 20 0 CBADLP COCCOCC[NH+]1CCN(C(=O)C[NH2+]C(C)C)CC1 ZINC000662833505 419745182 /nfs/dbraw/zinc/74/51/82/419745182.db2.gz OQULYDMGCXEEAT-UHFFFAOYSA-N 2 2 287.404 -0.208 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000662857983 419753411 /nfs/dbraw/zinc/75/34/11/419753411.db2.gz SCIDWYKFCRNRJQ-CHWSQXEVSA-N 3 2 286.420 -0.650 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000662857983 419753417 /nfs/dbraw/zinc/75/34/17/419753417.db2.gz SCIDWYKFCRNRJQ-CHWSQXEVSA-N 3 2 286.420 -0.650 20 0 CBADLP CC[C@@H]1C(=O)N(CC)CCN1C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000662871564 419757431 /nfs/dbraw/zinc/75/74/31/419757431.db2.gz QEUQNYKFWVVIEZ-NWDGAFQWSA-N 2 2 284.404 -0.265 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2COCC[NH2+]2)[C@H](C)CO1 ZINC000662861312 419758261 /nfs/dbraw/zinc/75/82/61/419758261.db2.gz ZXNDQTZAFCLRIA-UTUOFQBUSA-N 2 2 271.361 -0.800 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2COCC[NH2+]2)[C@H](C)CO1 ZINC000662861312 419758271 /nfs/dbraw/zinc/75/82/71/419758271.db2.gz ZXNDQTZAFCLRIA-UTUOFQBUSA-N 2 2 271.361 -0.800 20 0 CBADLP COC1(C(=O)N(C)CC[NH+]2CCOCC2)CC[NH2+]CC1 ZINC000648152063 419758881 /nfs/dbraw/zinc/75/88/81/419758881.db2.gz MIYLERRILKRDMO-UHFFFAOYSA-N 2 2 285.388 -0.454 20 0 CBADLP CC[C@@H]1CN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)C[C@H]1[NH+]1CCOCC1 ZINC000648166042 419763033 /nfs/dbraw/zinc/76/30/33/419763033.db2.gz FMHUQBIFECKOII-XJFOESAGSA-N 2 2 297.399 -0.722 20 0 CBADLP CC[C@H]1CN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)C[C@@H]1[NH+]1CCOCC1 ZINC000648166039 419763211 /nfs/dbraw/zinc/76/32/11/419763211.db2.gz FMHUQBIFECKOII-FQUUOJAGSA-N 2 2 297.399 -0.722 20 0 CBADLP [NH3+]Cc1cc(C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)co1 ZINC000662905465 419766015 /nfs/dbraw/zinc/76/60/15/419766015.db2.gz DHGGLLIFSMFVEG-LBPRGKRZSA-N 2 2 278.356 -0.142 20 0 CBADLP [NH3+]Cc1cc(C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)co1 ZINC000662905465 419766023 /nfs/dbraw/zinc/76/60/23/419766023.db2.gz DHGGLLIFSMFVEG-LBPRGKRZSA-N 2 2 278.356 -0.142 20 0 CBADLP [NH3+]Cc1cc(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)co1 ZINC000662905464 419769563 /nfs/dbraw/zinc/76/95/63/419769563.db2.gz DHGGLLIFSMFVEG-GFCCVEGCSA-N 2 2 278.356 -0.142 20 0 CBADLP [NH3+]Cc1cc(C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)co1 ZINC000662905464 419769569 /nfs/dbraw/zinc/76/95/69/419769569.db2.gz DHGGLLIFSMFVEG-GFCCVEGCSA-N 2 2 278.356 -0.142 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000648205899 419774583 /nfs/dbraw/zinc/77/45/83/419774583.db2.gz OITPYKJDTAKSFV-LLVKDONJSA-N 2 2 280.372 -0.791 20 0 CBADLP [NH3+]CC12CC(C1)CN2C(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000662921479 419774982 /nfs/dbraw/zinc/77/49/82/419774982.db2.gz BETNHAHEHIRIRM-UHFFFAOYSA-N 2 2 292.383 -0.757 20 0 CBADLP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000662932781 419781055 /nfs/dbraw/zinc/78/10/55/419781055.db2.gz FTTKOPAVEALOHW-ONGXEEELSA-N 2 2 281.360 -0.303 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000662787749 419724564 /nfs/dbraw/zinc/72/45/64/419724564.db2.gz CZCSDXGDIWXRCL-RYUDHWBXSA-N 2 2 271.361 -0.859 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@]23CCNC3=O)CC1 ZINC000521640656 544602201 /nfs/dbraw/zinc/60/22/01/544602201.db2.gz OBDSVHCMIJECQP-AWEZNQCLSA-N 2 2 280.372 -0.885 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@]23CCNC3=O)CC1 ZINC000521640656 544602206 /nfs/dbraw/zinc/60/22/06/544602206.db2.gz OBDSVHCMIJECQP-AWEZNQCLSA-N 2 2 280.372 -0.885 20 0 CBADLP C[C@H](CC[N@H+](C)[C@@H]1CCNC1=O)[NH+](C)[C@@H]1CCNC1=O ZINC000535378887 544602650 /nfs/dbraw/zinc/60/26/50/544602650.db2.gz GAOQYRRASUWTRR-IJLUTSLNSA-N 2 2 282.388 -0.594 20 0 CBADLP C[C@H](CC[N@@H+](C)[C@@H]1CCNC1=O)[NH+](C)[C@@H]1CCNC1=O ZINC000535378887 544602658 /nfs/dbraw/zinc/60/26/58/544602658.db2.gz GAOQYRRASUWTRR-IJLUTSLNSA-N 2 2 282.388 -0.594 20 0 CBADLP C[C@H](CC[NH+](C)[C@@H]1CCNC1=O)[N@H+](C)[C@@H]1CCNC1=O ZINC000535378887 544602663 /nfs/dbraw/zinc/60/26/63/544602663.db2.gz GAOQYRRASUWTRR-IJLUTSLNSA-N 2 2 282.388 -0.594 20 0 CBADLP C[C@H](CC[NH+](C)[C@@H]1CCNC1=O)[N@@H+](C)[C@@H]1CCNC1=O ZINC000535378887 544602666 /nfs/dbraw/zinc/60/26/66/544602666.db2.gz GAOQYRRASUWTRR-IJLUTSLNSA-N 2 2 282.388 -0.594 20 0 CBADLP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)Cn1cc[nH+]c1 ZINC000649074865 419835839 /nfs/dbraw/zinc/83/58/39/419835839.db2.gz QYTFRPFETKGVKD-LLVKDONJSA-N 2 2 279.344 -0.539 20 0 CBADLP CC(C)(CNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)[NH+]1CCOCC1 ZINC000649277663 419856874 /nfs/dbraw/zinc/85/68/74/419856874.db2.gz NMSAMPRVILAPQA-GDNZZTSVSA-N 2 2 267.373 -0.321 20 0 CBADLP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000662953568 419792222 /nfs/dbraw/zinc/79/22/22/419792222.db2.gz MMHGBBGCKBIITO-LBPRGKRZSA-N 2 2 293.371 -0.031 20 0 CBADLP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000662953568 419792231 /nfs/dbraw/zinc/79/22/31/419792231.db2.gz MMHGBBGCKBIITO-LBPRGKRZSA-N 2 2 293.371 -0.031 20 0 CBADLP C[C@H]1CN(C(=O)C(=O)N(C)Cc2c[nH+]c[nH]2)CC[NH2+]1 ZINC000662955334 419793252 /nfs/dbraw/zinc/79/32/52/419793252.db2.gz FBAVTNIKUJMDAA-VIFPVBQESA-N 2 2 265.317 -0.812 20 0 CBADLP C[C@H]1CN(C(=O)C(=O)N(C)Cc2c[nH]c[nH+]2)CC[NH2+]1 ZINC000662955334 419793258 /nfs/dbraw/zinc/79/32/58/419793258.db2.gz FBAVTNIKUJMDAA-VIFPVBQESA-N 2 2 265.317 -0.812 20 0 CBADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N=c1nc[nH]n1C ZINC000666421396 544636483 /nfs/dbraw/zinc/63/64/83/544636483.db2.gz GSZMIJIJADBXOM-NSHDSACASA-N 2 2 297.407 -0.370 20 0 CBADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N=c1nc[nH]n1C ZINC000666421396 544636487 /nfs/dbraw/zinc/63/64/87/544636487.db2.gz GSZMIJIJADBXOM-NSHDSACASA-N 2 2 297.407 -0.370 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC1 ZINC000649293904 419867148 /nfs/dbraw/zinc/86/71/48/419867148.db2.gz QOFVCJQGGOYLMR-UPJWGTAASA-N 2 2 280.372 -0.983 20 0 CBADLP [NH3+]CC(=O)NCC(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000649306231 419873523 /nfs/dbraw/zinc/87/35/23/419873523.db2.gz HBRUPTXXIJVCCH-UHFFFAOYSA-N 2 2 276.340 -0.807 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CCO1 ZINC000649312335 419874121 /nfs/dbraw/zinc/87/41/21/419874121.db2.gz IJLRAOKGYMFULS-KKOKHZNYSA-N 2 2 253.346 -0.426 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CCO1 ZINC000649312335 419874128 /nfs/dbraw/zinc/87/41/28/419874128.db2.gz IJLRAOKGYMFULS-KKOKHZNYSA-N 2 2 253.346 -0.426 20 0 CBADLP COC[C@]1(C(=O)NCc2[nH+]ccn2C)CCC[NH2+]1 ZINC000649321854 419884543 /nfs/dbraw/zinc/88/45/43/419884543.db2.gz QBIFHRMARZBVPB-LBPRGKRZSA-N 2 2 252.318 -0.195 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@H]3COCC[NH2+]3)C2)CC1 ZINC000649334039 419891919 /nfs/dbraw/zinc/89/19/19/419891919.db2.gz DARXMUJAGAIODI-GXTWGEPZSA-N 3 2 296.415 -0.741 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@H]3COCC[NH2+]3)C2)CC1 ZINC000649334039 419891923 /nfs/dbraw/zinc/89/19/23/419891923.db2.gz DARXMUJAGAIODI-GXTWGEPZSA-N 3 2 296.415 -0.741 20 0 CBADLP c1nc(N2CC[N@@H+]3CCOC[C@@H]3C2)c2c([nH+]1)NCCO2 ZINC000665711332 544613418 /nfs/dbraw/zinc/61/34/18/544613418.db2.gz BCOMQJDVIOECTH-JTQLQIEISA-N 2 2 277.328 -0.198 20 0 CBADLP c1nc(N2CC[N@H+]3CCOC[C@@H]3C2)c2c([nH+]1)NCCO2 ZINC000665711332 544613421 /nfs/dbraw/zinc/61/34/21/544613421.db2.gz BCOMQJDVIOECTH-JTQLQIEISA-N 2 2 277.328 -0.198 20 0 CBADLP C[NH+]1CCN(CCNC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000665771167 544614975 /nfs/dbraw/zinc/61/49/75/544614975.db2.gz WMEWUXSPQRDEBN-ZDUSSCGKSA-N 2 2 291.399 -0.191 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC1 ZINC000649283193 419861073 /nfs/dbraw/zinc/86/10/73/419861073.db2.gz VIAMZOURMXAGRN-UTUOFQBUSA-N 2 2 253.346 -0.473 20 0 CBADLP CCOCC[NH+]1CCN(C(=O)COC2(C)C[NH2+]C2)CC1 ZINC000649286896 419862809 /nfs/dbraw/zinc/86/28/09/419862809.db2.gz LGUSTKPNFPYIHC-UHFFFAOYSA-N 2 2 285.388 -0.454 20 0 CBADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)C2([NH+](C)C)CC2)CC1 ZINC000666268120 544630519 /nfs/dbraw/zinc/63/05/19/544630519.db2.gz BYENETSGWGLIQY-UHFFFAOYSA-N 2 2 296.415 -0.249 20 0 CBADLP CCNC(=O)C[N@H+]1CCCN(C(=O)C2([NH+](C)C)CC2)CC1 ZINC000666268120 544630521 /nfs/dbraw/zinc/63/05/21/544630521.db2.gz BYENETSGWGLIQY-UHFFFAOYSA-N 2 2 296.415 -0.249 20 0 CBADLP Cn1cnc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)n1 ZINC000667138520 544654741 /nfs/dbraw/zinc/65/47/41/544654741.db2.gz KOFBKQUTEGRDGC-UHFFFAOYSA-N 2 2 283.380 -0.180 20 0 CBADLP Cn1cnc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)n1 ZINC000667138520 544654745 /nfs/dbraw/zinc/65/47/45/544654745.db2.gz KOFBKQUTEGRDGC-UHFFFAOYSA-N 2 2 283.380 -0.180 20 0 CBADLP C[C@@H](NC(=O)NC[C@@]1(O)CC[N@@H+](C)C1)c1[nH+]ccn1C ZINC000667251668 544658246 /nfs/dbraw/zinc/65/82/46/544658246.db2.gz RPILXLAUWSEEML-MFKMUULPSA-N 2 2 281.360 -0.153 20 0 CBADLP COC1CC[NH+](CCNC(=O)[C@@H]2CSC[NH2+]2)CC1 ZINC000649343232 419900647 /nfs/dbraw/zinc/90/06/47/419900647.db2.gz QGNMFYFAKIJGKC-NSHDSACASA-N 2 2 273.402 -0.124 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)C2([NH+](C)C)CC2)CCO1 ZINC000667816087 544675519 /nfs/dbraw/zinc/67/55/19/544675519.db2.gz JQVCZNRWOFNHII-NSHDSACASA-N 2 2 255.362 -0.083 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)C2([NH+](C)C)CC2)CCO1 ZINC000667816087 544675522 /nfs/dbraw/zinc/67/55/22/544675522.db2.gz JQVCZNRWOFNHII-NSHDSACASA-N 2 2 255.362 -0.083 20 0 CBADLP CN(Cc1cnn(C)c1)C(=O)C[N@H+](C)CCC[NH3+] ZINC000649410033 419908697 /nfs/dbraw/zinc/90/86/97/419908697.db2.gz JECQOTRPYRMLDR-UHFFFAOYSA-N 2 2 253.350 -0.341 20 0 CBADLP CN(Cc1cnn(C)c1)C(=O)C[N@@H+](C)CCC[NH3+] ZINC000649410033 419908702 /nfs/dbraw/zinc/90/87/02/419908702.db2.gz JECQOTRPYRMLDR-UHFFFAOYSA-N 2 2 253.350 -0.341 20 0 CBADLP O=C(C[NH+]1CCCC1)N1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000649412542 419910527 /nfs/dbraw/zinc/91/05/27/419910527.db2.gz RYCOACAIRQMJME-AWEZNQCLSA-N 3 2 280.416 -0.164 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C1([NH+](C)C)CC1 ZINC000668255383 544690238 /nfs/dbraw/zinc/69/02/38/544690238.db2.gz ZQTZDJCNYGNXDO-NSHDSACASA-N 2 2 255.362 -0.083 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)C1([NH+](C)C)CC1 ZINC000668255383 544690242 /nfs/dbraw/zinc/69/02/42/544690242.db2.gz ZQTZDJCNYGNXDO-NSHDSACASA-N 2 2 255.362 -0.083 20 0 CBADLP CN(C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])C1CCOCC1 ZINC000649422690 419911273 /nfs/dbraw/zinc/91/12/73/419911273.db2.gz BVUZYHPMWSVHHD-GFCCVEGCSA-N 2 2 270.377 -0.208 20 0 CBADLP CN(C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])C1CCOCC1 ZINC000649422690 419911275 /nfs/dbraw/zinc/91/12/75/419911275.db2.gz BVUZYHPMWSVHHD-GFCCVEGCSA-N 2 2 270.377 -0.208 20 0 CBADLP CN(C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])C1CCOCC1 ZINC000649422691 419912202 /nfs/dbraw/zinc/91/22/02/419912202.db2.gz BVUZYHPMWSVHHD-LBPRGKRZSA-N 2 2 270.377 -0.208 20 0 CBADLP CN(C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])C1CCOCC1 ZINC000649422691 419912205 /nfs/dbraw/zinc/91/22/05/419912205.db2.gz BVUZYHPMWSVHHD-LBPRGKRZSA-N 2 2 270.377 -0.208 20 0 CBADLP CCN(C(=O)C(=O)NCCn1cc[nH+]c1)[C@H]1CC[N@H+](C)C1 ZINC000668375646 544697128 /nfs/dbraw/zinc/69/71/28/544697128.db2.gz NJQFVNGEVWWLNN-LBPRGKRZSA-N 2 2 293.371 -0.448 20 0 CBADLP CCN(C(=O)C(=O)NCCn1cc[nH+]c1)[C@H]1CC[N@@H+](C)C1 ZINC000668375646 544697132 /nfs/dbraw/zinc/69/71/32/544697132.db2.gz NJQFVNGEVWWLNN-LBPRGKRZSA-N 2 2 293.371 -0.448 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NCC[NH2+]C1CC1 ZINC000669461857 544748774 /nfs/dbraw/zinc/74/87/74/544748774.db2.gz FWWZRVGTYWPVCH-LLVKDONJSA-N 2 2 270.377 -0.242 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NCC[NH2+]C1CC1 ZINC000669461857 544748778 /nfs/dbraw/zinc/74/87/78/544748778.db2.gz FWWZRVGTYWPVCH-LLVKDONJSA-N 2 2 270.377 -0.242 20 0 CBADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)[C@H](C[NH3+])C1 ZINC000669491023 544750763 /nfs/dbraw/zinc/75/07/63/544750763.db2.gz IPBUOFCTNFIDHQ-ZIAGYGMSSA-N 3 2 295.431 -0.245 20 0 CBADLP C[N@H+]1CCN(C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)[C@H](C[NH3+])C1 ZINC000669491023 544750764 /nfs/dbraw/zinc/75/07/64/544750764.db2.gz IPBUOFCTNFIDHQ-ZIAGYGMSSA-N 3 2 295.431 -0.245 20 0 CBADLP C[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)[C@H](C[NH3+])C1 ZINC000669491023 544750767 /nfs/dbraw/zinc/75/07/67/544750767.db2.gz IPBUOFCTNFIDHQ-ZIAGYGMSSA-N 3 2 295.431 -0.245 20 0 CBADLP C[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)[C@H](C[NH3+])C1 ZINC000669491023 544750768 /nfs/dbraw/zinc/75/07/68/544750768.db2.gz IPBUOFCTNFIDHQ-ZIAGYGMSSA-N 3 2 295.431 -0.245 20 0 CBADLP C[N@@H+]1CCN(C(=O)C[C@@H]2CCCC[C@H]2[NH3+])[C@H](C[NH3+])C1 ZINC000669512655 544752832 /nfs/dbraw/zinc/75/28/32/544752832.db2.gz WQGKARFDVLZHFQ-YNEHKIRRSA-N 3 2 268.405 -0.005 20 0 CBADLP C[N@H+]1CCN(C(=O)C[C@@H]2CCCC[C@H]2[NH3+])[C@H](C[NH3+])C1 ZINC000669512655 544752836 /nfs/dbraw/zinc/75/28/36/544752836.db2.gz WQGKARFDVLZHFQ-YNEHKIRRSA-N 3 2 268.405 -0.005 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000358848464 419924515 /nfs/dbraw/zinc/92/45/15/419924515.db2.gz AZXJWFAVZWNSOQ-OCCSQVGLSA-N 2 2 296.415 -0.345 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000649498581 419916208 /nfs/dbraw/zinc/91/62/08/419916208.db2.gz PTCZSLLGBMMHCA-DGCLKSJQSA-N 2 2 293.371 -0.268 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000649498581 419916210 /nfs/dbraw/zinc/91/62/10/419916210.db2.gz PTCZSLLGBMMHCA-DGCLKSJQSA-N 2 2 293.371 -0.268 20 0 CBADLP O=C1CC[C@@H](C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)N1 ZINC000649540774 419917345 /nfs/dbraw/zinc/91/73/45/419917345.db2.gz DTNQDBYSGMAAGD-OLZOCXBDSA-N 2 2 267.373 -0.081 20 0 CBADLP O=C1CC[C@@H](C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)N1 ZINC000649540774 419917349 /nfs/dbraw/zinc/91/73/49/419917349.db2.gz DTNQDBYSGMAAGD-OLZOCXBDSA-N 2 2 267.373 -0.081 20 0 CBADLP CCOC(=O)[C@@H](C)[C@H](C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000358792511 419919682 /nfs/dbraw/zinc/91/96/82/419919682.db2.gz QZQMEQQBGFSFQF-RYUDHWBXSA-N 2 2 285.388 -0.062 20 0 CBADLP C[NH+](C)CCN1CCN(CC[NH+]2CCOCC2)CC1=O ZINC000649687641 419926431 /nfs/dbraw/zinc/92/64/31/419926431.db2.gz ZOUFIXRWKFGUBG-UHFFFAOYSA-N 2 2 284.404 -0.976 20 0 CBADLP Cn1nccc1CC[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649686085 419926699 /nfs/dbraw/zinc/92/66/99/419926699.db2.gz XWVSJCQNKBBUPP-UHFFFAOYSA-N 2 2 279.388 -0.332 20 0 CBADLP Cn1nccc1CC[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649686085 419926704 /nfs/dbraw/zinc/92/67/04/419926704.db2.gz XWVSJCQNKBBUPP-UHFFFAOYSA-N 2 2 279.388 -0.332 20 0 CBADLP C[NH+](C)CCN1CC[N@@H+]([C@H]2CCCOC2)CC1=O ZINC000649685565 419926963 /nfs/dbraw/zinc/92/69/63/419926963.db2.gz DSNHDFCVFJKNIF-LBPRGKRZSA-N 2 2 255.362 -0.129 20 0 CBADLP C[NH+](C)CCN1CC[N@H+]([C@H]2CCCOC2)CC1=O ZINC000649685565 419926967 /nfs/dbraw/zinc/92/69/67/419926967.db2.gz DSNHDFCVFJKNIF-LBPRGKRZSA-N 2 2 255.362 -0.129 20 0 CBADLP Cn1cc(CC[N@@H+]2CCN(CC[NH+](C)C)C(=O)C2)cn1 ZINC000649685599 419927058 /nfs/dbraw/zinc/92/70/58/419927058.db2.gz GGOWXFBUBMCYLR-UHFFFAOYSA-N 2 2 279.388 -0.332 20 0 CBADLP Cn1cc(CC[N@H+]2CCN(CC[NH+](C)C)C(=O)C2)cn1 ZINC000649685599 419927061 /nfs/dbraw/zinc/92/70/61/419927061.db2.gz GGOWXFBUBMCYLR-UHFFFAOYSA-N 2 2 279.388 -0.332 20 0 CBADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@@H](C)S(C)(=O)=O ZINC000665299632 419937855 /nfs/dbraw/zinc/93/78/55/419937855.db2.gz QRJQXXQTSZWZAQ-MXWKQRLJSA-N 2 2 264.391 -0.224 20 0 CBADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCCN(C)S(C)(=O)=O ZINC000665230337 419937870 /nfs/dbraw/zinc/93/78/70/419937870.db2.gz MVIGCAHWFZBBBQ-RYUDHWBXSA-N 2 2 293.433 -0.376 20 0 CBADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@H](C)S(C)(=O)=O ZINC000665299633 419938857 /nfs/dbraw/zinc/93/88/57/419938857.db2.gz QRJQXXQTSZWZAQ-OUAUKWLOSA-N 2 2 264.391 -0.224 20 0 CBADLP C[C@H](C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)S(C)(=O)=O ZINC000665299993 419938895 /nfs/dbraw/zinc/93/88/95/419938895.db2.gz VXOSXZLKZXXUGM-YUSALJHKSA-N 2 2 276.402 -0.224 20 0 CBADLP CCO[C@@H]1COC[C@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000650240664 419948505 /nfs/dbraw/zinc/94/85/05/419948505.db2.gz GWFXPBNULZQFEP-JHJVBQTASA-N 2 2 258.362 -0.163 20 0 CBADLP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000359280702 419957659 /nfs/dbraw/zinc/95/76/59/419957659.db2.gz ICOQEWLHQNOBMW-IJLUTSLNSA-N 2 2 294.399 -0.737 20 0 CBADLP CC(=O)N1CCN(C(=O)[C@H](C)[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000359313424 419958164 /nfs/dbraw/zinc/95/81/64/419958164.db2.gz VZZKDBZVTDPUGY-IACUBPJLSA-N 2 2 294.399 -0.783 20 0 CBADLP CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000359313407 419959144 /nfs/dbraw/zinc/95/91/44/419959144.db2.gz VZZKDBZVTDPUGY-BNOWGMLFSA-N 2 2 294.399 -0.783 20 0 CBADLP CC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000359313407 419959148 /nfs/dbraw/zinc/95/91/48/419959148.db2.gz VZZKDBZVTDPUGY-BNOWGMLFSA-N 2 2 294.399 -0.783 20 0 CBADLP O=C(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)NCc1cccnc1 ZINC000359316581 419959718 /nfs/dbraw/zinc/95/97/18/419959718.db2.gz XDGSHEYWOKZAIJ-BETUJISGSA-N 2 2 260.341 -0.151 20 0 CBADLP O=C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)NCc1cccnc1 ZINC000359316581 419959723 /nfs/dbraw/zinc/95/97/23/419959723.db2.gz XDGSHEYWOKZAIJ-BETUJISGSA-N 2 2 260.341 -0.151 20 0 CBADLP NC(=O)[C@H]1C[C@@H]([NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000650743454 419965900 /nfs/dbraw/zinc/96/59/00/419965900.db2.gz TXILOTCLVQTNTP-WHOHXGKFSA-N 2 2 253.346 -0.393 20 0 CBADLP Cc1[nH+]ccn1CCNC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000650810397 419968361 /nfs/dbraw/zinc/96/83/61/419968361.db2.gz PIPXNXUFGWFYBH-CYBMUJFWSA-N 2 2 293.371 -0.348 20 0 CBADLP Cc1[nH+]ccn1CCNC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000650810397 419968366 /nfs/dbraw/zinc/96/83/66/419968366.db2.gz PIPXNXUFGWFYBH-CYBMUJFWSA-N 2 2 293.371 -0.348 20 0 CBADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CCCNS(C)(=O)=O)C1 ZINC000359684027 419979544 /nfs/dbraw/zinc/97/95/44/419979544.db2.gz YZZURLCVAHHXFY-MNOVXSKESA-N 2 2 263.407 -0.145 20 0 CBADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CCCNS(C)(=O)=O)C1 ZINC000359684027 419979549 /nfs/dbraw/zinc/97/95/49/419979549.db2.gz YZZURLCVAHHXFY-MNOVXSKESA-N 2 2 263.407 -0.145 20 0 CBADLP COC(=O)[C@H]1C[C@H](NC(=O)CCC2CC[NH2+]CC2)C[NH2+]1 ZINC000365789701 420067602 /nfs/dbraw/zinc/06/76/02/420067602.db2.gz MNRCWUTWDYKABI-NWDGAFQWSA-N 2 2 283.372 -0.214 20 0 CBADLP CC[NH+]1CCN(CC(=O)N[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000359956503 419998030 /nfs/dbraw/zinc/99/80/30/419998030.db2.gz XPDPMCCMPKCUJJ-AWEZNQCLSA-N 2 2 298.431 -0.539 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000359954041 419998150 /nfs/dbraw/zinc/99/81/50/419998150.db2.gz IABXHSMERCLNDK-QWHCGFSZSA-N 2 2 285.388 -0.456 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000359954041 419998152 /nfs/dbraw/zinc/99/81/52/419998152.db2.gz IABXHSMERCLNDK-QWHCGFSZSA-N 2 2 285.388 -0.456 20 0 CBADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000360142642 420007373 /nfs/dbraw/zinc/00/73/73/420007373.db2.gz NYQVVNJBIYZRRA-QWHCGFSZSA-N 2 2 284.404 -0.931 20 0 CBADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000360142642 420007376 /nfs/dbraw/zinc/00/73/76/420007376.db2.gz NYQVVNJBIYZRRA-QWHCGFSZSA-N 2 2 284.404 -0.931 20 0 CBADLP C[C@@H](CC[NH+]1CCOCC1)NC(=O)[C@@H]1CSC[NH2+]1 ZINC000360175302 420008209 /nfs/dbraw/zinc/00/82/09/420008209.db2.gz JFZNPKHWJZKPAG-QWRGUYRKSA-N 2 2 273.402 -0.124 20 0 CBADLP C[NH+]1CCC(CC(=O)NC[C@H]2C[NH+]3CCN2CC3)CC1 ZINC000365887826 420070556 /nfs/dbraw/zinc/07/05/56/420070556.db2.gz UPSHLBJGMJPQMV-AWEZNQCLSA-N 2 2 280.416 -0.166 20 0 CBADLP O[C@@H]1CC[N@@H+](C2CN(c3nc[nH+]c4c3OCCN4)C2)C1 ZINC000651450159 420014737 /nfs/dbraw/zinc/01/47/37/420014737.db2.gz YMDILBNPUBDXOC-SNVBAGLBSA-N 2 2 277.328 -0.464 20 0 CBADLP O[C@@H]1CC[N@H+](C2CN(c3nc[nH+]c4c3OCCN4)C2)C1 ZINC000651450159 420014741 /nfs/dbraw/zinc/01/47/41/420014741.db2.gz YMDILBNPUBDXOC-SNVBAGLBSA-N 2 2 277.328 -0.464 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2C[C@H](O)C3(CC3)C2)CC1 ZINC000364434393 420036105 /nfs/dbraw/zinc/03/61/05/420036105.db2.gz MOKSYJZJZCLRGD-NSHDSACASA-N 2 2 253.346 -0.783 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2C[C@H](O)C3(CC3)C2)CC1 ZINC000364434393 420036114 /nfs/dbraw/zinc/03/61/14/420036114.db2.gz MOKSYJZJZCLRGD-NSHDSACASA-N 2 2 253.346 -0.783 20 0 CBADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CC[NH+](CCO)CC1 ZINC000364422134 420037955 /nfs/dbraw/zinc/03/79/55/420037955.db2.gz SJNAJXRCXQFEFS-GFCCVEGCSA-N 2 2 278.356 -0.418 20 0 CBADLP C[C@H](CNC(=O)[C@H]1C[C@]12CC[NH2+]C2)[NH+]1CCOCC1 ZINC000364591087 420041231 /nfs/dbraw/zinc/04/12/31/420041231.db2.gz RVVMIRLPFVPBOJ-BZPMIXESSA-N 2 2 267.373 -0.177 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC[N@@H+]1CCO ZINC000364913199 420047682 /nfs/dbraw/zinc/04/76/82/420047682.db2.gz FPHLLAXZVCOPEH-CHWSQXEVSA-N 2 2 292.383 -0.030 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC[N@H+]1CCO ZINC000364913199 420047685 /nfs/dbraw/zinc/04/76/85/420047685.db2.gz FPHLLAXZVCOPEH-CHWSQXEVSA-N 2 2 292.383 -0.030 20 0 CBADLP C[C@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC[N@@H+]1CCO ZINC000364913201 420048097 /nfs/dbraw/zinc/04/80/97/420048097.db2.gz FPHLLAXZVCOPEH-QWHCGFSZSA-N 2 2 292.383 -0.030 20 0 CBADLP C[C@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC[N@H+]1CCO ZINC000364913201 420048099 /nfs/dbraw/zinc/04/80/99/420048099.db2.gz FPHLLAXZVCOPEH-QWHCGFSZSA-N 2 2 292.383 -0.030 20 0 CBADLP CSCC[C@H]([NH3+])C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000364995867 420051233 /nfs/dbraw/zinc/05/12/33/420051233.db2.gz QIQOHKDXXBNGMB-NEPJUHHUSA-N 2 2 287.429 0.000 20 0 CBADLP O=C(C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1)N1CCC1 ZINC000365569429 420064449 /nfs/dbraw/zinc/06/44/49/420064449.db2.gz KGISDAGOSTZETO-CYBMUJFWSA-N 2 2 267.373 -0.127 20 0 CBADLP O=C(C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1)N1CCC1 ZINC000365569429 420064451 /nfs/dbraw/zinc/06/44/51/420064451.db2.gz KGISDAGOSTZETO-CYBMUJFWSA-N 2 2 267.373 -0.127 20 0 CBADLP COC(=O)[C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)C[NH2+]1 ZINC000365679480 420065655 /nfs/dbraw/zinc/06/56/55/420065655.db2.gz QYTSCZUSYIVAAS-VPOLOUISSA-N 2 2 269.345 -0.476 20 0 CBADLP COC(=O)[C@H]1C[C@H](NC(=O)C[C@H]2CSCC[NH2+]2)C[NH2+]1 ZINC000365665747 420065700 /nfs/dbraw/zinc/06/57/00/420065700.db2.gz BFOXSRMSRLSCAK-LPEHRKFASA-N 2 2 287.385 -0.899 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000652889238 420094505 /nfs/dbraw/zinc/09/45/05/420094505.db2.gz LWJHMXFYKPDNFX-VXGBXAGGSA-N 2 2 253.346 -0.642 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000652889238 420094507 /nfs/dbraw/zinc/09/45/07/420094507.db2.gz LWJHMXFYKPDNFX-VXGBXAGGSA-N 2 2 253.346 -0.642 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000652889238 420094510 /nfs/dbraw/zinc/09/45/10/420094510.db2.gz LWJHMXFYKPDNFX-VXGBXAGGSA-N 2 2 253.346 -0.642 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000652889238 420094512 /nfs/dbraw/zinc/09/45/12/420094512.db2.gz LWJHMXFYKPDNFX-VXGBXAGGSA-N 2 2 253.346 -0.642 20 0 CBADLP O=C([C@@H]1CCC[NH+]1C1CC1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000652892572 420095323 /nfs/dbraw/zinc/09/53/23/420095323.db2.gz KIXLBKARVAKFNK-KGLIPLIRSA-N 2 2 279.384 -0.109 20 0 CBADLP O=C([C@@H]1CCC[NH+]1C1CC1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000652892572 420095328 /nfs/dbraw/zinc/09/53/28/420095328.db2.gz KIXLBKARVAKFNK-KGLIPLIRSA-N 2 2 279.384 -0.109 20 0 CBADLP O=C([C@@H]1CCC[N@@H+]1C1CC1)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000652892572 420095330 /nfs/dbraw/zinc/09/53/30/420095330.db2.gz KIXLBKARVAKFNK-KGLIPLIRSA-N 2 2 279.384 -0.109 20 0 CBADLP O=C([C@@H]1CCC[N@H+]1C1CC1)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000652892572 420095334 /nfs/dbraw/zinc/09/53/34/420095334.db2.gz KIXLBKARVAKFNK-KGLIPLIRSA-N 2 2 279.384 -0.109 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000368695623 420141882 /nfs/dbraw/zinc/14/18/82/420141882.db2.gz UQMHGPWZFHCCIH-AWEZNQCLSA-N 2 2 299.415 -0.064 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000368695623 420141884 /nfs/dbraw/zinc/14/18/84/420141884.db2.gz UQMHGPWZFHCCIH-AWEZNQCLSA-N 2 2 299.415 -0.064 20 0 CBADLP C[NH+](C)CC[C@H](N)C(=O)NCCNc1cccc[nH+]1 ZINC000653346086 420141997 /nfs/dbraw/zinc/14/19/97/420141997.db2.gz HYWLNPLCGFMIPR-NSHDSACASA-N 2 2 265.361 -0.111 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCC(=O)N[C@@H]2C2CC2)CC1 ZINC000367446163 420106283 /nfs/dbraw/zinc/10/62/83/420106283.db2.gz CBRHAWJXRQAOBT-IUODEOHRSA-N 2 2 294.399 -0.593 20 0 CBADLP CCCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)[C@H]1CC[NH2+]C1 ZINC000653049147 420110527 /nfs/dbraw/zinc/11/05/27/420110527.db2.gz WEWLSSCOJLKSKT-RYUDHWBXSA-N 3 2 256.394 -0.134 20 0 CBADLP CCN(CC)C(=O)CN(C)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653059835 420112218 /nfs/dbraw/zinc/11/22/18/420112218.db2.gz PFECOKWKLIBVPU-NSHDSACASA-N 2 2 272.393 -0.408 20 0 CBADLP CC[C@@H](C)NC(=O)CCNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653074395 420113264 /nfs/dbraw/zinc/11/32/64/420113264.db2.gz GQGIVQOEUUSJCY-MNOVXSKESA-N 2 2 272.393 -0.314 20 0 CBADLP C[NH2+]CCC(=O)N1CC[NH+](C2(C(N)=O)CCCC2)CC1 ZINC000367649289 420113571 /nfs/dbraw/zinc/11/35/71/420113571.db2.gz RIVLQUHLLOGGKI-UHFFFAOYSA-N 2 2 282.388 -0.462 20 0 CBADLP CN(C)C(=O)N1CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653068384 420113641 /nfs/dbraw/zinc/11/36/41/420113641.db2.gz AKRLXMPQQRYHJS-LLVKDONJSA-N 2 2 285.392 -0.909 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCNC(=O)c1cccs1 ZINC000653070941 420113835 /nfs/dbraw/zinc/11/38/35/420113835.db2.gz ORIVFWWUVNBWHC-JTQLQIEISA-N 2 2 298.412 -0.127 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCC[C@@H]1C(=O)NC1CC1 ZINC000653071934 420113874 /nfs/dbraw/zinc/11/38/74/420113874.db2.gz XTKQMIXYZWEMGA-NWDGAFQWSA-N 2 2 282.388 -0.465 20 0 CBADLP CC[C@@H]1C(=O)NCCN1C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653086655 420114551 /nfs/dbraw/zinc/11/45/51/420114551.db2.gz YUBNJVSDZUQTQV-NXEZZACHSA-N 2 2 256.350 -0.998 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000653112612 420116588 /nfs/dbraw/zinc/11/65/88/420116588.db2.gz DEDAAPZDFMJJSX-CMPLNLGQSA-N 3 2 254.378 -0.382 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000653112612 420116593 /nfs/dbraw/zinc/11/65/93/420116593.db2.gz DEDAAPZDFMJJSX-CMPLNLGQSA-N 3 2 254.378 -0.382 20 0 CBADLP CCOCC[NH+]1CCN(C(=O)[C@@H](N)CC[NH+](C)C)CC1 ZINC000653108478 420117223 /nfs/dbraw/zinc/11/72/23/420117223.db2.gz YYXAMOBJEWZVDL-ZDUSSCGKSA-N 2 2 286.420 -0.554 20 0 CBADLP CCOCC[NH+]1CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653108478 420117229 /nfs/dbraw/zinc/11/72/29/420117229.db2.gz YYXAMOBJEWZVDL-ZDUSSCGKSA-N 3 2 286.420 -0.554 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000653112281 420117288 /nfs/dbraw/zinc/11/72/88/420117288.db2.gz SXSAMCMYMWJJTG-VXGBXAGGSA-N 3 2 256.394 -0.278 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCC[NH+]1CCCC1 ZINC000653107052 420117324 /nfs/dbraw/zinc/11/73/24/420117324.db2.gz VVSKHKYWNWGFMH-LBPRGKRZSA-N 3 2 256.394 -0.133 20 0 CBADLP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653105146 420117465 /nfs/dbraw/zinc/11/74/65/420117465.db2.gz HSVWKIDIQVPUAN-RYUDHWBXSA-N 3 2 256.394 -0.134 20 0 CBADLP CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653105146 420117468 /nfs/dbraw/zinc/11/74/68/420117468.db2.gz HSVWKIDIQVPUAN-RYUDHWBXSA-N 3 2 256.394 -0.134 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCC(C)(C)C[NH+](C)C ZINC000653105019 420117724 /nfs/dbraw/zinc/11/77/24/420117724.db2.gz BMAZGZUWTQHZBG-LLVKDONJSA-N 3 2 258.410 -0.031 20 0 CBADLP CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000653117132 420119682 /nfs/dbraw/zinc/11/96/82/420119682.db2.gz AMXHAPOYZXQDAN-STQMWFEESA-N 3 2 268.405 -0.040 20 0 CBADLP CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000653117132 420119689 /nfs/dbraw/zinc/11/96/89/420119689.db2.gz AMXHAPOYZXQDAN-STQMWFEESA-N 3 2 268.405 -0.040 20 0 CBADLP C[C@H](NC(=O)[C@H](N)CC[NH+](C)C)[C@H](C)[NH+]1CCOCC1 ZINC000653117326 420120722 /nfs/dbraw/zinc/12/07/22/420120722.db2.gz IQPQRLCRJHHBCM-RWMBFGLXSA-N 2 2 286.420 -0.509 20 0 CBADLP O=C([C@H]1CCC[NH2+]CC1)N1CC[NH+](CCO)CC1 ZINC000653139731 420121805 /nfs/dbraw/zinc/12/18/05/420121805.db2.gz TWQNOYZJXZABGW-LBPRGKRZSA-N 2 2 255.362 -0.487 20 0 CBADLP CNc1ccc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)cn1 ZINC000653144011 420122610 /nfs/dbraw/zinc/12/26/10/420122610.db2.gz VADSHEFESGGAAJ-JTQLQIEISA-N 2 2 251.334 -0.237 20 0 CBADLP CC(C)C[C@H]1C(=O)NCCN1C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653152440 420122708 /nfs/dbraw/zinc/12/27/08/420122708.db2.gz NAFRCOBQOAMCGY-NEPJUHHUSA-N 2 2 284.404 -0.362 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000653148751 420122798 /nfs/dbraw/zinc/12/27/98/420122798.db2.gz KCRMUSQGZAYHIP-NWDGAFQWSA-N 3 2 256.394 -0.182 20 0 CBADLP CNc1ccc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)cn1 ZINC000653144012 420122983 /nfs/dbraw/zinc/12/29/83/420122983.db2.gz VADSHEFESGGAAJ-SNVBAGLBSA-N 2 2 251.334 -0.237 20 0 CBADLP CC(C)C[C@@H]1C(=O)NCCN1C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653152443 420123181 /nfs/dbraw/zinc/12/31/81/420123181.db2.gz NAFRCOBQOAMCGY-VXGBXAGGSA-N 2 2 284.404 -0.362 20 0 CBADLP COC[C@@H]1CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C[C@@H](C)O1 ZINC000653153864 420124530 /nfs/dbraw/zinc/12/45/30/420124530.db2.gz AYRXZHCRLSQCAW-GRYCIOLGSA-N 2 2 273.377 -0.472 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@H]1CCN(C(C)(C)C)C1=O ZINC000653167114 420125630 /nfs/dbraw/zinc/12/56/30/420125630.db2.gz JKMSRVYWYHGXEL-MNOVXSKESA-N 2 2 284.404 -0.219 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000653168700 420126734 /nfs/dbraw/zinc/12/67/34/420126734.db2.gz NBRAAWZFZMCJSW-MBHSVXNSSA-N 3 2 268.405 -0.005 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CC[C@H](Nc2ncccn2)C1 ZINC000653167034 420126873 /nfs/dbraw/zinc/12/68/73/420126873.db2.gz FUSIDYPUHKQMGC-NWDGAFQWSA-N 2 2 292.387 -0.232 20 0 CBADLP CCS(=O)(=O)NCC[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000368313220 420129321 /nfs/dbraw/zinc/12/93/21/420129321.db2.gz BYMOQXWPVRJXNU-GFCCVEGCSA-N 2 2 275.418 -0.047 20 0 CBADLP CCS(=O)(=O)NCC[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000368313220 420129323 /nfs/dbraw/zinc/12/93/23/420129323.db2.gz BYMOQXWPVRJXNU-GFCCVEGCSA-N 2 2 275.418 -0.047 20 0 CBADLP CCS(=O)(=O)NCC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000368313220 420129327 /nfs/dbraw/zinc/12/93/27/420129327.db2.gz BYMOQXWPVRJXNU-GFCCVEGCSA-N 2 2 275.418 -0.047 20 0 CBADLP CCS(=O)(=O)NCC[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000368313220 420129331 /nfs/dbraw/zinc/12/93/31/420129331.db2.gz BYMOQXWPVRJXNU-GFCCVEGCSA-N 2 2 275.418 -0.047 20 0 CBADLP COCCOCC[NH+]1CCN(C(=O)CCC[NH3+])CC1 ZINC000653275699 420133109 /nfs/dbraw/zinc/13/31/09/420133109.db2.gz LOXGREWZVTZEQU-UHFFFAOYSA-N 2 2 273.377 -0.468 20 0 CBADLP COCCOCC[NH+]1CCN(C(=O)C(C)(C)[NH3+])CC1 ZINC000653276300 420133243 /nfs/dbraw/zinc/13/32/43/420133243.db2.gz ZXMGQOMTXHXEID-UHFFFAOYSA-N 2 2 273.377 -0.469 20 0 CBADLP COCCOCC[NH+]1CCN(C(=O)[C@H](C)[NH3+])CC1 ZINC000653276141 420133285 /nfs/dbraw/zinc/13/32/85/420133285.db2.gz WHJXCBMKVYHJCH-NSHDSACASA-N 2 2 259.350 -0.859 20 0 CBADLP CC(C)(CNC(=O)[C@@]1(F)CC[NH2+]C1)[NH+]1CCOCC1 ZINC000368453086 420133566 /nfs/dbraw/zinc/13/35/66/420133566.db2.gz HLUZHSUQJZXHFH-CYBMUJFWSA-N 2 2 273.352 -0.085 20 0 CBADLP CC[C@H]([NH3+])C(=O)N1CC[NH+](CCOCCOC)CC1 ZINC000653276147 420134213 /nfs/dbraw/zinc/13/42/13/420134213.db2.gz WLOWTNSWMFRBFK-LBPRGKRZSA-N 2 2 273.377 -0.469 20 0 CBADLP COCCOCC[NH+]1CCN(C(=O)C[NH2+]CC2CC2)CC1 ZINC000653275318 420134721 /nfs/dbraw/zinc/13/47/21/420134721.db2.gz BUSWFGXBWVBIBT-UHFFFAOYSA-N 2 2 299.415 -0.207 20 0 CBADLP COCCOCC[NH+]1CCN(C(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000653275677 420134750 /nfs/dbraw/zinc/13/47/50/420134750.db2.gz LEGWHFJOYBMKIA-ZDUSSCGKSA-N 2 2 287.404 -0.223 20 0 CBADLP O=C(NCCCn1cc[nH+]c1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000368573051 420137894 /nfs/dbraw/zinc/13/78/94/420137894.db2.gz QJZZPVCJWXQOJU-CYBMUJFWSA-N 2 2 277.372 -0.221 20 0 CBADLP O=C(NCCCn1cc[nH+]c1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000368573051 420137897 /nfs/dbraw/zinc/13/78/97/420137897.db2.gz QJZZPVCJWXQOJU-CYBMUJFWSA-N 2 2 277.372 -0.221 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCO[C@H]3C[C@H]32)CC1 ZINC000368638546 420138884 /nfs/dbraw/zinc/13/88/84/420138884.db2.gz OIURPYQEKNWIDT-NEPJUHHUSA-N 2 2 253.346 -0.376 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCO[C@H]3C[C@H]32)CC1 ZINC000368638546 420138887 /nfs/dbraw/zinc/13/88/87/420138887.db2.gz OIURPYQEKNWIDT-NEPJUHHUSA-N 2 2 253.346 -0.376 20 0 CBADLP CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000368681792 420139945 /nfs/dbraw/zinc/13/99/45/420139945.db2.gz AXVMNWXAYFVZDL-QWHCGFSZSA-N 2 2 269.389 -0.243 20 0 CBADLP C[C@H](CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)[NH+]1CCCC1 ZINC000653347591 420141326 /nfs/dbraw/zinc/14/13/26/420141326.db2.gz HBQGAHWQCNVBPF-NEPJUHHUSA-N 3 2 256.394 -0.134 20 0 CBADLP CCNC(=O)NC(=O)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366445480 420084820 /nfs/dbraw/zinc/08/48/20/420084820.db2.gz XFIVVSNPQZSTLO-ZDUSSCGKSA-N 2 2 268.361 -0.140 20 0 CBADLP CCNC(=O)NC(=O)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366445480 420084823 /nfs/dbraw/zinc/08/48/23/420084823.db2.gz XFIVVSNPQZSTLO-ZDUSSCGKSA-N 2 2 268.361 -0.140 20 0 CBADLP CCNC(=O)NC(=O)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000366445480 420084829 /nfs/dbraw/zinc/08/48/29/420084829.db2.gz XFIVVSNPQZSTLO-ZDUSSCGKSA-N 2 2 268.361 -0.140 20 0 CBADLP CCNC(=O)NC(=O)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000366445480 420084831 /nfs/dbraw/zinc/08/48/31/420084831.db2.gz XFIVVSNPQZSTLO-ZDUSSCGKSA-N 2 2 268.361 -0.140 20 0 CBADLP CCn1cc[nH+]c1CNC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000654579154 420186003 /nfs/dbraw/zinc/18/60/03/420186003.db2.gz RXTPKGGDYWMORF-NWDGAFQWSA-N 2 2 293.371 -0.137 20 0 CBADLP CCn1cc[nH+]c1CNC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000654579154 420186010 /nfs/dbraw/zinc/18/60/10/420186010.db2.gz RXTPKGGDYWMORF-NWDGAFQWSA-N 2 2 293.371 -0.137 20 0 CBADLP O=C(NCC1([NH+]2CCOCC2)CCCC1)[C@@H]1COCC[NH2+]1 ZINC000370780024 420186757 /nfs/dbraw/zinc/18/67/57/420186757.db2.gz QDUHCNMRLTVJQF-ZDUSSCGKSA-N 2 2 297.399 -0.264 20 0 CBADLP CC[C@H]([NH3+])C(=O)NC[C@@]1([NH+]2CCOCC2)CCCOC1 ZINC000370773253 420187760 /nfs/dbraw/zinc/18/77/60/420187760.db2.gz NSABJZLFWKGQSV-JSGCOSHPSA-N 2 2 285.388 -0.279 20 0 CBADLP C[C@@H](O)C[NH+]1CCN(C(=O)C[NH+]2CC(C)(C)C2)CC1 ZINC000654744741 420192912 /nfs/dbraw/zinc/19/29/12/420192912.db2.gz GIALHJFOTHWCJS-GFCCVEGCSA-N 2 2 269.389 -0.147 20 0 CBADLP C[NH+]1CCN(CC(=O)N2CCN(c3[nH]cc[nH+]3)CC2)CC1 ZINC000655032267 420211456 /nfs/dbraw/zinc/21/14/56/420211456.db2.gz RGKPHCSCEDYDRZ-UHFFFAOYSA-N 2 2 292.387 -0.694 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)N2CCN(c3[nH]cc[nH+]3)CC2)C1 ZINC000655032265 420212868 /nfs/dbraw/zinc/21/28/68/420212868.db2.gz QNPPJTRNBHONHV-LBPRGKRZSA-N 2 2 293.371 -0.221 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)N2CCN(c3[nH]cc[nH+]3)CC2)C1 ZINC000655032265 420212875 /nfs/dbraw/zinc/21/28/75/420212875.db2.gz QNPPJTRNBHONHV-LBPRGKRZSA-N 2 2 293.371 -0.221 20 0 CBADLP Cc1nocc1C[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000397866942 420214651 /nfs/dbraw/zinc/21/46/51/420214651.db2.gz GKRCGIRQMDJSNQ-UHFFFAOYSA-N 2 2 252.318 -0.153 20 0 CBADLP CC[N@H+](C)C[C@@H](O)CN(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000653649581 420154790 /nfs/dbraw/zinc/15/47/90/420154790.db2.gz NBQADPADXYUGIG-UONOGXRCSA-N 2 2 273.421 -0.049 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)CN(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000653649581 420154793 /nfs/dbraw/zinc/15/47/93/420154793.db2.gz NBQADPADXYUGIG-UONOGXRCSA-N 2 2 273.421 -0.049 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+](C)[C@@H](C)CN1CCOCC1 ZINC000653649581 420154796 /nfs/dbraw/zinc/15/47/96/420154796.db2.gz NBQADPADXYUGIG-UONOGXRCSA-N 2 2 273.421 -0.049 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@@H](C)CN1CCOCC1 ZINC000653649581 420154799 /nfs/dbraw/zinc/15/47/99/420154799.db2.gz NBQADPADXYUGIG-UONOGXRCSA-N 2 2 273.421 -0.049 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@H+](C)[C@@H](C)CN1CCOCC1 ZINC000653649581 420154802 /nfs/dbraw/zinc/15/48/02/420154802.db2.gz NBQADPADXYUGIG-UONOGXRCSA-N 2 2 273.421 -0.049 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@@H](C)CN1CCOCC1 ZINC000653649581 420154804 /nfs/dbraw/zinc/15/48/04/420154804.db2.gz NBQADPADXYUGIG-UONOGXRCSA-N 2 2 273.421 -0.049 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H](C)[C@H](CO)C1 ZINC000653638291 420155771 /nfs/dbraw/zinc/15/57/71/420155771.db2.gz OWDVMCOSCAXKKT-FRRDWIJNSA-N 2 2 260.378 -0.514 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H](C)[C@H](CO)C1 ZINC000653638291 420155774 /nfs/dbraw/zinc/15/57/74/420155774.db2.gz OWDVMCOSCAXKKT-FRRDWIJNSA-N 2 2 260.378 -0.514 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000653638291 420155778 /nfs/dbraw/zinc/15/57/78/420155778.db2.gz OWDVMCOSCAXKKT-FRRDWIJNSA-N 2 2 260.378 -0.514 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000653638291 420155781 /nfs/dbraw/zinc/15/57/81/420155781.db2.gz OWDVMCOSCAXKKT-FRRDWIJNSA-N 2 2 260.378 -0.514 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000653694621 420157850 /nfs/dbraw/zinc/15/78/50/420157850.db2.gz LGVDHZSJWUUESA-NDBYEHHHSA-N 2 2 258.362 -0.904 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000653694621 420157854 /nfs/dbraw/zinc/15/78/54/420157854.db2.gz LGVDHZSJWUUESA-NDBYEHHHSA-N 2 2 258.362 -0.904 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000653694621 420157857 /nfs/dbraw/zinc/15/78/57/420157857.db2.gz LGVDHZSJWUUESA-NDBYEHHHSA-N 2 2 258.362 -0.904 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000653694621 420157859 /nfs/dbraw/zinc/15/78/59/420157859.db2.gz LGVDHZSJWUUESA-NDBYEHHHSA-N 2 2 258.362 -0.904 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC000369688771 420164328 /nfs/dbraw/zinc/16/43/28/420164328.db2.gz CRQBFZXYDYWPSK-LBPRGKRZSA-N 2 2 255.362 -0.129 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC000369688771 420164333 /nfs/dbraw/zinc/16/43/33/420164333.db2.gz CRQBFZXYDYWPSK-LBPRGKRZSA-N 2 2 255.362 -0.129 20 0 CBADLP C[C@H]1C[N@H+](CCN2CC[NH+]3C[C@H](O)C[C@H]3C2)CCO1 ZINC000653829336 420167774 /nfs/dbraw/zinc/16/77/74/420167774.db2.gz JWSHNCQLFCAIDU-MELADBBJSA-N 2 2 269.389 -0.542 20 0 CBADLP C[C@H]1C[N@@H+](CCN2CC[NH+]3C[C@H](O)C[C@H]3C2)CCO1 ZINC000653829336 420167777 /nfs/dbraw/zinc/16/77/77/420167777.db2.gz JWSHNCQLFCAIDU-MELADBBJSA-N 2 2 269.389 -0.542 20 0 CBADLP C[C@H]1C[NH+](CCN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CCO1 ZINC000653829336 420167781 /nfs/dbraw/zinc/16/77/81/420167781.db2.gz JWSHNCQLFCAIDU-MELADBBJSA-N 2 2 269.389 -0.542 20 0 CBADLP C[C@H]1C[NH+](CCN2CC[N@H+]3C[C@H](O)C[C@H]3C2)CCO1 ZINC000653829336 420167785 /nfs/dbraw/zinc/16/77/85/420167785.db2.gz JWSHNCQLFCAIDU-MELADBBJSA-N 2 2 269.389 -0.542 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000369924161 420169018 /nfs/dbraw/zinc/16/90/18/420169018.db2.gz BJXPWUBJLFLAGF-CYBMUJFWSA-N 2 2 299.415 -0.066 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000369924161 420169021 /nfs/dbraw/zinc/16/90/21/420169021.db2.gz BJXPWUBJLFLAGF-CYBMUJFWSA-N 2 2 299.415 -0.066 20 0 CBADLP CC[NH+]1CCO[C@@H](C(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000369924161 420169024 /nfs/dbraw/zinc/16/90/24/420169024.db2.gz BJXPWUBJLFLAGF-CYBMUJFWSA-N 2 2 299.415 -0.066 20 0 CBADLP CC[NH+]1CCO[C@@H](C(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000369924161 420169028 /nfs/dbraw/zinc/16/90/28/420169028.db2.gz BJXPWUBJLFLAGF-CYBMUJFWSA-N 2 2 299.415 -0.066 20 0 CBADLP O=C([C@@H]1CCCc2[nH+]c[nH]c21)N1CC[NH+](CCO)CC1 ZINC000370489189 420180507 /nfs/dbraw/zinc/18/05/07/420180507.db2.gz ATVYJPRDUIUWDE-LLVKDONJSA-N 2 2 278.356 -0.034 20 0 CBADLP CCO[C@@H]1C[N@H+](CC(=O)N2C[C@@H](C)O[C@H](C)C2)C[C@H]1C[NH3+] ZINC000405559204 420228067 /nfs/dbraw/zinc/22/80/67/420228067.db2.gz CPOCVLZVVQUJBO-AAVRWANBSA-N 2 2 299.415 -0.082 20 0 CBADLP CCO[C@@H]1C[N@@H+](CC(=O)N2C[C@@H](C)O[C@H](C)C2)C[C@H]1C[NH3+] ZINC000405559204 420228070 /nfs/dbraw/zinc/22/80/70/420228070.db2.gz CPOCVLZVVQUJBO-AAVRWANBSA-N 2 2 299.415 -0.082 20 0 CBADLP CCO[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1C[NH3+] ZINC000405546054 420228832 /nfs/dbraw/zinc/22/88/32/420228832.db2.gz WKRBGNAMGDXMJG-VXGBXAGGSA-N 2 2 271.361 -0.859 20 0 CBADLP CCO[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1C[NH3+] ZINC000405546054 420228836 /nfs/dbraw/zinc/22/88/36/420228836.db2.gz WKRBGNAMGDXMJG-VXGBXAGGSA-N 2 2 271.361 -0.859 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)N2CC[NH+](C[C@@H](C)O)[C@H](C)C2)[N@H+](C)C1 ZINC000408037529 420229606 /nfs/dbraw/zinc/22/96/06/420229606.db2.gz AQXPKQJWLSUPQE-MQYQWHSLSA-N 2 2 299.415 -0.381 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)N2CC[NH+](C[C@@H](C)O)[C@H](C)C2)[N@@H+](C)C1 ZINC000408037529 420229607 /nfs/dbraw/zinc/22/96/07/420229607.db2.gz AQXPKQJWLSUPQE-MQYQWHSLSA-N 2 2 299.415 -0.381 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)[NH+](C)C1 ZINC000408037529 420229610 /nfs/dbraw/zinc/22/96/10/420229610.db2.gz AQXPKQJWLSUPQE-MQYQWHSLSA-N 2 2 299.415 -0.381 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)[NH+](C)C1 ZINC000408037529 420229613 /nfs/dbraw/zinc/22/96/13/420229613.db2.gz AQXPKQJWLSUPQE-MQYQWHSLSA-N 2 2 299.415 -0.381 20 0 CBADLP C[N@@H+]1CCN(C(=O)C[C@H]2CCC[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000655419322 420247550 /nfs/dbraw/zinc/24/75/50/420247550.db2.gz SICKEUWJYVCADS-NEPJUHHUSA-N 3 2 254.378 -0.523 20 0 CBADLP C[N@H+]1CCN(C(=O)C[C@H]2CCC[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000655419322 420247554 /nfs/dbraw/zinc/24/75/54/420247554.db2.gz SICKEUWJYVCADS-NEPJUHHUSA-N 3 2 254.378 -0.523 20 0 CBADLP CN1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)[C@@H](C[NH3+])C1 ZINC000655419256 420247826 /nfs/dbraw/zinc/24/78/26/420247826.db2.gz PNKWKDWAMVCZCR-NEPJUHHUSA-N 2 2 277.372 -0.453 20 0 CBADLP C[N@@H+]1CCN(C(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)[C@@H](C[NH3+])C1 ZINC000655418514 420248138 /nfs/dbraw/zinc/24/81/38/420248138.db2.gz ACYKPRYTHYRHGW-SGMGOOAPSA-N 3 2 266.389 -0.523 20 0 CBADLP C[N@H+]1CCN(C(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)[C@@H](C[NH3+])C1 ZINC000655418514 420248143 /nfs/dbraw/zinc/24/81/43/420248143.db2.gz ACYKPRYTHYRHGW-SGMGOOAPSA-N 3 2 266.389 -0.523 20 0 CBADLP Nc1cc(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)ccn1 ZINC000420316867 420251861 /nfs/dbraw/zinc/25/18/61/420251861.db2.gz YRJCVLMMNPUJCO-CYBMUJFWSA-N 2 2 289.383 0.060 20 0 CBADLP Nc1cc(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)ccn1 ZINC000420316867 420251865 /nfs/dbraw/zinc/25/18/65/420251865.db2.gz YRJCVLMMNPUJCO-CYBMUJFWSA-N 2 2 289.383 0.060 20 0 CBADLP O=C([C@@H]1C[C@@]12CCC[NH2+]C2)N1CC[NH+](CCO)CC1 ZINC000655461269 420253602 /nfs/dbraw/zinc/25/36/02/420253602.db2.gz PHRRQPJUJZWQSO-GXTWGEPZSA-N 2 2 267.373 -0.487 20 0 CBADLP O=C([C@H]1C[C@@]12CCC[NH2+]C2)N1CC[NH+](CCO)CC1 ZINC000655461272 420253997 /nfs/dbraw/zinc/25/39/97/420253997.db2.gz PHRRQPJUJZWQSO-TZMCWYRMSA-N 2 2 267.373 -0.487 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000423503926 420257570 /nfs/dbraw/zinc/25/75/70/420257570.db2.gz NEXKMLLXNJWHCF-RYUDHWBXSA-N 2 2 284.404 -0.348 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000423503926 420257573 /nfs/dbraw/zinc/25/75/73/420257573.db2.gz NEXKMLLXNJWHCF-RYUDHWBXSA-N 2 2 284.404 -0.348 20 0 CBADLP C[C@H](NC(=O)C[N@@H+]1CCC[C@H](C[NH3+])C1)C(=O)N(C)C ZINC000430611271 420271690 /nfs/dbraw/zinc/27/16/90/420271690.db2.gz OABXHEVCQGFJHE-WDEREUQCSA-N 2 2 270.377 -0.750 20 0 CBADLP C[C@H](NC(=O)C[N@H+]1CCC[C@H](C[NH3+])C1)C(=O)N(C)C ZINC000430611271 420271692 /nfs/dbraw/zinc/27/16/92/420271692.db2.gz OABXHEVCQGFJHE-WDEREUQCSA-N 2 2 270.377 -0.750 20 0 CBADLP C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430611662 420272092 /nfs/dbraw/zinc/27/20/92/420272092.db2.gz PJOQESACOFTMMW-RYUDHWBXSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430611662 420272095 /nfs/dbraw/zinc/27/20/95/420272095.db2.gz PJOQESACOFTMMW-RYUDHWBXSA-N 2 2 296.415 -0.217 20 0 CBADLP CO[C@@](C)(CO)C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000655806957 420272167 /nfs/dbraw/zinc/27/21/67/420272167.db2.gz FMCYBFCEYXXTFS-GFCCVEGCSA-N 2 2 256.350 -0.027 20 0 CBADLP CN(C(=O)[C@H]1COCC[NH2+]1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000430889249 420273389 /nfs/dbraw/zinc/27/33/89/420273389.db2.gz KMJJLVCEHSEBIU-VXGBXAGGSA-N 2 2 253.346 -0.330 20 0 CBADLP CN(C(=O)[C@H]1COCC[NH2+]1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000430889249 420273393 /nfs/dbraw/zinc/27/33/93/420273393.db2.gz KMJJLVCEHSEBIU-VXGBXAGGSA-N 2 2 253.346 -0.330 20 0 CBADLP [NH3+]CCCCn1cc(CC[NH+]2CCOCC2)nn1 ZINC000656438886 420309550 /nfs/dbraw/zinc/30/95/50/420309550.db2.gz GDPLUVXNSGGIBA-UHFFFAOYSA-N 2 2 253.350 -0.108 20 0 CBADLP C[N@H+](CCO)Cc1cn(-c2cc[nH+]c(CO)c2)nn1 ZINC000656458822 420311724 /nfs/dbraw/zinc/31/17/24/420311724.db2.gz INRGEGFKSZPZCY-UHFFFAOYSA-N 2 2 263.301 -0.421 20 0 CBADLP C[N@@H+](CCO)Cc1cn(-c2cc[nH+]c(CO)c2)nn1 ZINC000656458822 420311726 /nfs/dbraw/zinc/31/17/26/420311726.db2.gz INRGEGFKSZPZCY-UHFFFAOYSA-N 2 2 263.301 -0.421 20 0 CBADLP CC1(C)NC(=O)CC[C@H]1[NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000495085399 420317914 /nfs/dbraw/zinc/31/79/14/420317914.db2.gz OGYYKISPFAQAMW-VXGBXAGGSA-N 2 2 296.415 -0.027 20 0 CBADLP CC1(C)NC(=O)CC[C@H]1[NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000495085399 420317919 /nfs/dbraw/zinc/31/79/19/420317919.db2.gz OGYYKISPFAQAMW-VXGBXAGGSA-N 2 2 296.415 -0.027 20 0 CBADLP CN1C[C@@H](C[NH+]2CCC([N@H+](C)CCO)CC2)OC1=O ZINC000496809248 420328999 /nfs/dbraw/zinc/32/89/99/420328999.db2.gz HFJPJGVVUVIYHW-LBPRGKRZSA-N 2 2 271.361 -0.175 20 0 CBADLP CN1C[C@@H](C[NH+]2CCC([N@@H+](C)CCO)CC2)OC1=O ZINC000496809248 420329002 /nfs/dbraw/zinc/32/90/02/420329002.db2.gz HFJPJGVVUVIYHW-LBPRGKRZSA-N 2 2 271.361 -0.175 20 0 CBADLP CCNS(=O)(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000657071839 420339570 /nfs/dbraw/zinc/33/95/70/420339570.db2.gz WCIMHEMNTKYYCZ-NSHDSACASA-N 2 2 280.438 -0.298 20 0 CBADLP CCNS(=O)(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000657071839 420339574 /nfs/dbraw/zinc/33/95/74/420339574.db2.gz WCIMHEMNTKYYCZ-NSHDSACASA-N 2 2 280.438 -0.298 20 0 CBADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)N1CCC1 ZINC000657071178 420340655 /nfs/dbraw/zinc/34/06/55/420340655.db2.gz IFYROEPNDJQOFH-LBPRGKRZSA-N 2 2 292.449 -0.202 20 0 CBADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)N1CCC1 ZINC000657071178 420340666 /nfs/dbraw/zinc/34/06/66/420340666.db2.gz IFYROEPNDJQOFH-LBPRGKRZSA-N 2 2 292.449 -0.202 20 0 CBADLP CNS(=O)(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000657071552 420340709 /nfs/dbraw/zinc/34/07/09/420340709.db2.gz QCZQREIOBBDJIX-JTQLQIEISA-N 2 2 266.411 -0.688 20 0 CBADLP CNS(=O)(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000657071552 420340714 /nfs/dbraw/zinc/34/07/14/420340714.db2.gz QCZQREIOBBDJIX-JTQLQIEISA-N 2 2 266.411 -0.688 20 0 CBADLP C[C@H](C(=O)N[C@@H](CO)C[NH+](C)C)[NH+]1CCSCC1 ZINC000673519859 544877240 /nfs/dbraw/zinc/87/72/40/544877240.db2.gz AQHNGHAEWCOAAU-GHMZBOCLSA-N 2 2 275.418 -0.538 20 0 CBADLP CS(=O)(=O)N1CC[C@H]([NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000657500780 420355667 /nfs/dbraw/zinc/35/56/67/420355667.db2.gz MLFWMFCLRAJLAA-JTQLQIEISA-N 2 2 284.385 -0.047 20 0 CBADLP Cc1nc(NC[C@@H]2CCCC[N@@H+]2CCO)nc(N(C)C)[nH+]1 ZINC000450618128 420299555 /nfs/dbraw/zinc/29/95/55/420299555.db2.gz SPCMCRZWXCEUED-LBPRGKRZSA-N 2 2 294.403 0.505 20 0 CBADLP Cc1nc(NC[C@@H]2CCCC[N@H+]2CCO)nc(N(C)C)[nH+]1 ZINC000450618128 420299558 /nfs/dbraw/zinc/29/95/58/420299558.db2.gz SPCMCRZWXCEUED-LBPRGKRZSA-N 2 2 294.403 0.505 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000656198205 420302487 /nfs/dbraw/zinc/30/24/87/420302487.db2.gz MSAVFULAVHCPSA-RYUDHWBXSA-N 3 2 254.378 -0.380 20 0 CBADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH+]1CCN(c2nncn2C)CC1 ZINC000656199805 420302565 /nfs/dbraw/zinc/30/25/65/420302565.db2.gz DRZVVDAVJAYQRM-STQMWFEESA-N 2 2 294.403 -0.296 20 0 CBADLP C[N@@H+]1CCN(C(=O)NC[C@@H]2CCCCO2)[C@H](C[NH3+])C1 ZINC000517337639 420375098 /nfs/dbraw/zinc/37/50/98/420375098.db2.gz MZQVIXZLYHLQHG-NEPJUHHUSA-N 2 2 270.377 -0.160 20 0 CBADLP C[N@H+]1CCN(C(=O)NC[C@@H]2CCCCO2)[C@H](C[NH3+])C1 ZINC000517337639 420375101 /nfs/dbraw/zinc/37/51/01/420375101.db2.gz MZQVIXZLYHLQHG-NEPJUHHUSA-N 2 2 270.377 -0.160 20 0 CBADLP CNC(=O)C[NH+]1CCC(Nc2nc[nH+]c(N)c2OC)CC1 ZINC000517391380 420376922 /nfs/dbraw/zinc/37/69/22/420376922.db2.gz QYJMYCFCRCYBJX-UHFFFAOYSA-N 2 2 294.359 -0.310 20 0 CBADLP CNC(=O)C[NH+]1CCC(Nc2[nH+]cnc(N)c2OC)CC1 ZINC000517391380 420376927 /nfs/dbraw/zinc/37/69/27/420376927.db2.gz QYJMYCFCRCYBJX-UHFFFAOYSA-N 2 2 294.359 -0.310 20 0 CBADLP CCC(CC)NC(=O)[C@H](C)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000519659240 420385775 /nfs/dbraw/zinc/38/57/75/420385775.db2.gz XGOXPOHYSXCFIJ-WCFLWFBJSA-N 2 2 296.415 -0.077 20 0 CBADLP CCC(CC)NC(=O)[C@H](C)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000519659240 420385777 /nfs/dbraw/zinc/38/57/77/420385777.db2.gz XGOXPOHYSXCFIJ-WCFLWFBJSA-N 2 2 296.415 -0.077 20 0 CBADLP CN(C)C(=O)CCCC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000519778847 420388255 /nfs/dbraw/zinc/38/82/55/420388255.db2.gz SVEGJQOUXYQWAR-NSHDSACASA-N 2 2 270.377 -0.654 20 0 CBADLP CN(C)C(=O)CCCC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000519778847 420388257 /nfs/dbraw/zinc/38/82/57/420388257.db2.gz SVEGJQOUXYQWAR-NSHDSACASA-N 2 2 270.377 -0.654 20 0 CBADLP COC[C@H](CCO)[NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000521045259 420392670 /nfs/dbraw/zinc/39/26/70/420392670.db2.gz LKCYVWIDDDZSFG-XUXIUFHCSA-N 2 2 290.404 -0.557 20 0 CBADLP C[NH+]1CCN(CC(=O)Nc2cc[nH+]cc2O)CC1 ZINC000673936347 544892265 /nfs/dbraw/zinc/89/22/65/544892265.db2.gz XWCYOKSZFVDVSQ-UHFFFAOYSA-N 2 2 250.302 -0.605 20 0 CBADLP C[C@H](CNC(=O)[C@H](C)[NH+](C)C)CN1CC[NH+](C)CC1 ZINC000674263797 544901029 /nfs/dbraw/zinc/90/10/29/544901029.db2.gz AIIWVSKPJUUJHC-OLZOCXBDSA-N 2 2 270.421 -0.064 20 0 CBADLP C[C@@H](C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)[NH+](C)C ZINC000674367904 544903699 /nfs/dbraw/zinc/90/36/99/544903699.db2.gz BRXPKQSRICDCPS-NWDGAFQWSA-N 2 2 273.377 -0.912 20 0 CBADLP CC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000673673897 544885113 /nfs/dbraw/zinc/88/51/13/544885113.db2.gz RTWVQFLRIMUPNL-NWDGAFQWSA-N 2 2 271.361 -0.846 20 0 CBADLP CC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000673673897 544885116 /nfs/dbraw/zinc/88/51/16/544885116.db2.gz RTWVQFLRIMUPNL-NWDGAFQWSA-N 2 2 271.361 -0.846 20 0 CBADLP CC[NH+]1CCO[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000673673897 544885121 /nfs/dbraw/zinc/88/51/21/544885121.db2.gz RTWVQFLRIMUPNL-NWDGAFQWSA-N 2 2 271.361 -0.846 20 0 CBADLP CC[NH+]1CCO[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000673673897 544885123 /nfs/dbraw/zinc/88/51/23/544885123.db2.gz RTWVQFLRIMUPNL-NWDGAFQWSA-N 2 2 271.361 -0.846 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@H+](CC)CCO2)C1 ZINC000673673109 544885286 /nfs/dbraw/zinc/88/52/86/544885286.db2.gz FUPALVYEESTQCN-OLZOCXBDSA-N 2 2 285.388 -0.456 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000673673109 544885290 /nfs/dbraw/zinc/88/52/90/544885290.db2.gz FUPALVYEESTQCN-OLZOCXBDSA-N 2 2 285.388 -0.456 20 0 CBADLP CC[NH+]1CCO[C@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC000673673109 544885295 /nfs/dbraw/zinc/88/52/95/544885295.db2.gz FUPALVYEESTQCN-OLZOCXBDSA-N 2 2 285.388 -0.456 20 0 CBADLP CC[NH+]1CCO[C@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000673673109 544885299 /nfs/dbraw/zinc/88/52/99/544885299.db2.gz FUPALVYEESTQCN-OLZOCXBDSA-N 2 2 285.388 -0.456 20 0 CBADLP C[NH+]1CCN(CC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000676341150 544948419 /nfs/dbraw/zinc/94/84/19/544948419.db2.gz HZXBPBFPEPMUIH-CQSZACIVSA-N 2 2 296.415 -0.833 20 0 CBADLP C[N@@H+]1CC[C@@H](C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000676341412 544948888 /nfs/dbraw/zinc/94/88/88/544948888.db2.gz RLCQJHCUWQOQQM-CHWSQXEVSA-N 2 2 267.373 -0.129 20 0 CBADLP C[N@H+]1CC[C@@H](C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000676341412 544948889 /nfs/dbraw/zinc/94/88/89/544948889.db2.gz RLCQJHCUWQOQQM-CHWSQXEVSA-N 2 2 267.373 -0.129 20 0 CBADLP C[N@@H+]1CC[C@@H](C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000676341415 544948898 /nfs/dbraw/zinc/94/88/98/544948898.db2.gz RLCQJHCUWQOQQM-OLZOCXBDSA-N 2 2 267.373 -0.129 20 0 CBADLP C[N@H+]1CC[C@@H](C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000676341415 544948899 /nfs/dbraw/zinc/94/88/99/544948899.db2.gz RLCQJHCUWQOQQM-OLZOCXBDSA-N 2 2 267.373 -0.129 20 0 CBADLP OCC[NH+]1CCN(c2nc(N3CCOCC3)cc[nH+]2)CC1 ZINC000675719637 544935581 /nfs/dbraw/zinc/93/55/81/544935581.db2.gz BJXWUVHLVJZGGV-UHFFFAOYSA-N 2 2 293.371 -0.573 20 0 CBADLP C[C@H](NC(=O)N1CC[NH+](C)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000676306939 544946502 /nfs/dbraw/zinc/94/65/02/544946502.db2.gz XFYMLSICOMIAAW-NWDGAFQWSA-N 2 2 270.377 -0.338 20 0 CBADLP C[C@H](NC(=O)N1CC[NH+](C)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000676306939 544946504 /nfs/dbraw/zinc/94/65/04/544946504.db2.gz XFYMLSICOMIAAW-NWDGAFQWSA-N 2 2 270.377 -0.338 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659434859 420419463 /nfs/dbraw/zinc/41/94/63/420419463.db2.gz DGQKONGKMWQBHY-IJLUTSLNSA-N 2 2 288.367 -0.212 20 0 CBADLP CC(C)[C@H]([NH3+])CCNC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000659452506 420420284 /nfs/dbraw/zinc/42/02/84/420420284.db2.gz CLJKMOCHCOBJBB-CHWSQXEVSA-N 2 2 285.436 -0.095 20 0 CBADLP CC(C)[C@H]([NH3+])CCNC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000659452506 420420286 /nfs/dbraw/zinc/42/02/86/420420286.db2.gz CLJKMOCHCOBJBB-CHWSQXEVSA-N 2 2 285.436 -0.095 20 0 CBADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CC2CC1(C[NH3+])C2 ZINC000659451526 420420942 /nfs/dbraw/zinc/42/09/42/420420942.db2.gz GGTSEOKMSHLGAX-OPFPJEHXSA-N 2 2 295.431 -0.245 20 0 CBADLP O=C(CCOC1C[NH2+]C1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659357216 420413988 /nfs/dbraw/zinc/41/39/88/420413988.db2.gz DVAXHIXCNRNIPP-LBPRGKRZSA-N 2 2 283.372 -0.702 20 0 CBADLP COC[C@@]1(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CC[NH2+]C1 ZINC000659356961 420414008 /nfs/dbraw/zinc/41/40/08/420414008.db2.gz AWRMCRVWFOFNGC-DZGCQCFKSA-N 2 2 297.399 -0.454 20 0 CBADLP O=C([C@@H]1CCC[NH2+]1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659357759 420414229 /nfs/dbraw/zinc/41/42/29/420414229.db2.gz LYYHFCMKUINVHI-NEPJUHHUSA-N 2 2 253.346 -0.329 20 0 CBADLP C[NH2+]C[C@@H](C)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659357443 420414280 /nfs/dbraw/zinc/41/42/80/420414280.db2.gz HVHJLYXXNLFEKW-NEPJUHHUSA-N 2 2 255.362 -0.225 20 0 CBADLP COC[C@@]1(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CC[NH2+]C1 ZINC000659356963 420415030 /nfs/dbraw/zinc/41/50/30/420415030.db2.gz AWRMCRVWFOFNGC-UKRRQHHQSA-N 2 2 297.399 -0.454 20 0 CBADLP C[C@]1(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CC[NH2+]C1 ZINC000659357492 420415041 /nfs/dbraw/zinc/41/50/41/420415041.db2.gz JAETYEAICGYOAD-JSGCOSHPSA-N 2 2 267.373 -0.081 20 0 CBADLP C[C@@H]1CCCN(C(=O)CN2CC[NH2+]CC2=O)[C@@H]1CCC[NH3+] ZINC000659375694 420416246 /nfs/dbraw/zinc/41/62/46/420416246.db2.gz FYVVKBOZWSVRTH-CHWSQXEVSA-N 2 2 296.415 -0.216 20 0 CBADLP CC(C)[NH2+]CC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659359072 420416827 /nfs/dbraw/zinc/41/68/27/420416827.db2.gz VZQSGHMSRWCAEY-LBPRGKRZSA-N 2 2 255.362 -0.083 20 0 CBADLP O=C(NCCNc1cccc[nH+]1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000677855997 544987463 /nfs/dbraw/zinc/98/74/63/544987463.db2.gz NVSCRRPQZZDOHV-CYBMUJFWSA-N 2 2 289.383 0.000 20 0 CBADLP O=C(NCCNc1cccc[nH+]1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000677855997 544987467 /nfs/dbraw/zinc/98/74/67/544987467.db2.gz NVSCRRPQZZDOHV-CYBMUJFWSA-N 2 2 289.383 0.000 20 0 CBADLP C[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH+]1CCNC(=O)C1 ZINC000677931799 545008598 /nfs/dbraw/zinc/00/85/98/545008598.db2.gz VMCHDXSJZUBRCX-GFCCVEGCSA-N 2 2 282.388 -0.591 20 0 CBADLP C[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH+]1CCNC(=O)C1 ZINC000677931799 545008600 /nfs/dbraw/zinc/00/86/00/545008600.db2.gz VMCHDXSJZUBRCX-GFCCVEGCSA-N 2 2 282.388 -0.591 20 0 CBADLP C[NH+]1CCCC[C@@H]1C(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000677931799 545008602 /nfs/dbraw/zinc/00/86/02/545008602.db2.gz VMCHDXSJZUBRCX-GFCCVEGCSA-N 2 2 282.388 -0.591 20 0 CBADLP C[NH+]1CCCC[C@@H]1C(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000677931799 545008604 /nfs/dbraw/zinc/00/86/04/545008604.db2.gz VMCHDXSJZUBRCX-GFCCVEGCSA-N 2 2 282.388 -0.591 20 0 CBADLP CCOC[C@@H](O)C[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000678081973 545012590 /nfs/dbraw/zinc/01/25/90/545012590.db2.gz ZMHVMYQLAOBXLC-UONOGXRCSA-N 2 2 299.415 -0.202 20 0 CBADLP CCOC[C@@H](O)C[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000678081973 545012593 /nfs/dbraw/zinc/01/25/93/545012593.db2.gz ZMHVMYQLAOBXLC-UONOGXRCSA-N 2 2 299.415 -0.202 20 0 CBADLP CN(C)C(=O)CC[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000678081293 545012755 /nfs/dbraw/zinc/01/27/55/545012755.db2.gz PSPVLFUFYJYFQY-CYBMUJFWSA-N 2 2 296.415 -0.121 20 0 CBADLP CN(C)C(=O)CC[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000678081293 545012756 /nfs/dbraw/zinc/01/27/56/545012756.db2.gz PSPVLFUFYJYFQY-CYBMUJFWSA-N 2 2 296.415 -0.121 20 0 CBADLP CN(C)C(=O)CC[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000678081294 545013172 /nfs/dbraw/zinc/01/31/72/545013172.db2.gz PSPVLFUFYJYFQY-ZDUSSCGKSA-N 2 2 296.415 -0.121 20 0 CBADLP CN(C)C(=O)CC[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000678081294 545013176 /nfs/dbraw/zinc/01/31/76/545013176.db2.gz PSPVLFUFYJYFQY-ZDUSSCGKSA-N 2 2 296.415 -0.121 20 0 CBADLP C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)CN1CC[NH+](C)CC1 ZINC000678427996 545016108 /nfs/dbraw/zinc/01/61/08/545016108.db2.gz GDOPEALIFZMAOO-STQMWFEESA-N 2 2 268.405 -0.215 20 0 CBADLP C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)CN1CC[NH+](C)CC1 ZINC000678427996 545016109 /nfs/dbraw/zinc/01/61/09/545016109.db2.gz GDOPEALIFZMAOO-STQMWFEESA-N 2 2 268.405 -0.215 20 0 CBADLP C[C@H]1C[C@H]([NH2+]CCc2nnnn2C)C[N@@H+]1C1CC1 ZINC000678498352 545017912 /nfs/dbraw/zinc/01/79/12/545017912.db2.gz ICHCQDQOXMLACS-UWVGGRQHSA-N 2 2 250.350 -0.033 20 0 CBADLP C[C@H]1C[C@H]([NH2+]CCc2nnnn2C)C[N@H+]1C1CC1 ZINC000678498352 545017913 /nfs/dbraw/zinc/01/79/13/545017913.db2.gz ICHCQDQOXMLACS-UWVGGRQHSA-N 2 2 250.350 -0.033 20 0 CBADLP [NH3+][C@H](CNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1)C1CC1 ZINC000659527817 420428223 /nfs/dbraw/zinc/42/82/23/420428223.db2.gz NWVMRDFHBRMLGG-QWHCGFSZSA-N 2 2 282.388 -0.160 20 0 CBADLP C[C@@H](CC[NH3+])NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659529284 420429859 /nfs/dbraw/zinc/42/98/59/420429859.db2.gz JDJGQVMPJUJQEK-RYUDHWBXSA-N 2 2 270.377 -0.160 20 0 CBADLP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000659752046 420468326 /nfs/dbraw/zinc/46/83/26/420468326.db2.gz KSPYYMCJUTXTKK-LLVKDONJSA-N 2 2 293.371 -0.229 20 0 CBADLP O=C([C@@H]1CC[NH2+]C1)N1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000378206757 230313864 /nfs/dbraw/zinc/31/38/64/230313864.db2.gz AHDKQIGCXOVVGC-OLZOCXBDSA-N 2 2 294.399 -0.591 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CCCC(N)=O)C2)CC1 ZINC000683851594 545067655 /nfs/dbraw/zinc/06/76/55/545067655.db2.gz YMJGLHVWHQBSGI-GFCCVEGCSA-N 2 2 296.415 -0.073 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CCCC(N)=O)C2)CC1 ZINC000683851594 545067656 /nfs/dbraw/zinc/06/76/56/545067656.db2.gz YMJGLHVWHQBSGI-GFCCVEGCSA-N 2 2 296.415 -0.073 20 0 CBADLP C[C@H](NC(=O)C=Cc1c[nH]c[nH+]1)C(=O)NCC[NH+](C)C ZINC000493744176 230338570 /nfs/dbraw/zinc/33/85/70/230338570.db2.gz FTOLPRQZOJNKIW-LWTINBJPSA-N 2 2 279.344 -0.395 20 0 CBADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CC2(CC(N)=O)CC2)C[C@H](C)O1 ZINC000564724177 420440018 /nfs/dbraw/zinc/44/00/18/420440018.db2.gz XSBKUHSYYZHQIH-XQQFMLRXSA-N 2 2 299.415 -0.298 20 0 CBADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CC2(CC(N)=O)CC2)C[C@H](C)O1 ZINC000564724177 420440022 /nfs/dbraw/zinc/44/00/22/420440022.db2.gz XSBKUHSYYZHQIH-XQQFMLRXSA-N 2 2 299.415 -0.298 20 0 CBADLP C[NH2+]C[C@@H](C)NC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000659636247 420442250 /nfs/dbraw/zinc/44/22/50/420442250.db2.gz VCMSDPBKPZLLBJ-VXGBXAGGSA-N 2 2 272.393 -0.044 20 0 CBADLP Cn1cc[nH+]c1CNC(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659703724 420452625 /nfs/dbraw/zinc/45/26/25/420452625.db2.gz GCQUHIHUYHHUFQ-UHFFFAOYSA-N 2 2 279.344 -0.576 20 0 CBADLP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000659704093 420452728 /nfs/dbraw/zinc/45/27/28/420452728.db2.gz KHLUGGYTEMYJGZ-NWDGAFQWSA-N 2 2 295.387 -0.123 20 0 CBADLP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000659704094 420452771 /nfs/dbraw/zinc/45/27/71/420452771.db2.gz KHLUGGYTEMYJGZ-VXGBXAGGSA-N 2 2 295.387 -0.123 20 0 CBADLP C[C@@H]1CCN(C(=O)C(=O)NCc2[nH+]ccn2C)[C@H](C[NH3+])C1 ZINC000659703693 420453117 /nfs/dbraw/zinc/45/31/17/420453117.db2.gz FLSGWBUGACMAMS-MNOVXSKESA-N 2 2 293.371 -0.378 20 0 CBADLP CCN1CC[C@@H]([NH+]2CCN(C(=O)C[NH+](C)C)CC2)C1=O ZINC000659836873 420471798 /nfs/dbraw/zinc/47/17/98/420471798.db2.gz BJXSJOLLHJXREK-GFCCVEGCSA-N 2 2 282.388 -0.687 20 0 CBADLP COCC[N@H+](C)CCCNc1nc[nH+]c(N)c1OC ZINC000584540345 420476128 /nfs/dbraw/zinc/47/61/28/420476128.db2.gz VVDJFRKSBBGHOK-UHFFFAOYSA-N 2 2 269.349 0.448 20 0 CBADLP COCC[N@@H+](C)CCCNc1nc[nH+]c(N)c1OC ZINC000584540345 420476132 /nfs/dbraw/zinc/47/61/32/420476132.db2.gz VVDJFRKSBBGHOK-UHFFFAOYSA-N 2 2 269.349 0.448 20 0 CBADLP COCC[N@H+](C)CCCNc1[nH+]cnc(N)c1OC ZINC000584540345 420476135 /nfs/dbraw/zinc/47/61/35/420476135.db2.gz VVDJFRKSBBGHOK-UHFFFAOYSA-N 2 2 269.349 0.448 20 0 CBADLP COCC[N@@H+](C)CCCNc1[nH+]cnc(N)c1OC ZINC000584540345 420476138 /nfs/dbraw/zinc/47/61/38/420476138.db2.gz VVDJFRKSBBGHOK-UHFFFAOYSA-N 2 2 269.349 0.448 20 0 CBADLP CN1CC(=O)N(CC[N@@H+]2CC[C@H](C[NH+](C)C)C2)C1=O ZINC000659926043 420477855 /nfs/dbraw/zinc/47/78/55/420477855.db2.gz KUFOUEDOMZXIBT-LLVKDONJSA-N 2 2 268.361 -0.236 20 0 CBADLP CN1CC(=O)N(CC[N@H+]2CC[C@H](C[NH+](C)C)C2)C1=O ZINC000659926043 420477856 /nfs/dbraw/zinc/47/78/56/420477856.db2.gz KUFOUEDOMZXIBT-LLVKDONJSA-N 2 2 268.361 -0.236 20 0 CBADLP COC[C@@H](C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)OC ZINC000660010475 420480846 /nfs/dbraw/zinc/48/08/46/420480846.db2.gz ASYMWVCMHMVYIU-KGLIPLIRSA-N 2 2 299.415 -0.114 20 0 CBADLP COC[C@@H](C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)OC ZINC000660010475 420480849 /nfs/dbraw/zinc/48/08/49/420480849.db2.gz ASYMWVCMHMVYIU-KGLIPLIRSA-N 2 2 299.415 -0.114 20 0 CBADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](NC(N)=O)C1 ZINC000660150902 420485541 /nfs/dbraw/zinc/48/55/41/420485541.db2.gz VBJAXKJWJRJMDT-MNOVXSKESA-N 2 2 258.366 -0.570 20 0 CBADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](NC(N)=O)C1 ZINC000660150902 420485542 /nfs/dbraw/zinc/48/55/42/420485542.db2.gz VBJAXKJWJRJMDT-MNOVXSKESA-N 2 2 258.366 -0.570 20 0 CBADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](NC(N)=O)C1 ZINC000660150902 420485544 /nfs/dbraw/zinc/48/55/44/420485544.db2.gz VBJAXKJWJRJMDT-MNOVXSKESA-N 2 2 258.366 -0.570 20 0 CBADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC000660150902 420485545 /nfs/dbraw/zinc/48/55/45/420485545.db2.gz VBJAXKJWJRJMDT-MNOVXSKESA-N 2 2 258.366 -0.570 20 0 CBADLP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@@H](CO)c1cnn(C)c1 ZINC000660271661 420488326 /nfs/dbraw/zinc/48/83/26/420488326.db2.gz ZWBMTZJDPGDESN-STQMWFEESA-N 2 2 270.377 -0.256 20 0 CBADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](CO)c1cnn(C)c1 ZINC000660271661 420488327 /nfs/dbraw/zinc/48/83/27/420488327.db2.gz ZWBMTZJDPGDESN-STQMWFEESA-N 2 2 270.377 -0.256 20 0 CBADLP COC(=O)c1nccnc1NCC[N@H+](C)CCC[NH+](C)C ZINC000596425859 420488587 /nfs/dbraw/zinc/48/85/87/420488587.db2.gz XHRQNQGAGXDOIG-UHFFFAOYSA-N 2 2 295.387 0.559 20 0 CBADLP COC(=O)c1nccnc1NCC[N@@H+](C)CCC[NH+](C)C ZINC000596425859 420488589 /nfs/dbraw/zinc/48/85/89/420488589.db2.gz XHRQNQGAGXDOIG-UHFFFAOYSA-N 2 2 295.387 0.559 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N(C)CC1C[NH+](C)C1 ZINC000660344250 420489063 /nfs/dbraw/zinc/48/90/63/420489063.db2.gz FOTYCMDNQRHJNR-GFCCVEGCSA-N 2 2 284.404 -0.090 20 0 CBADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000660395542 420490380 /nfs/dbraw/zinc/49/03/80/420490380.db2.gz KFMSBKOFOSCWDZ-AVGNSLFASA-N 2 2 260.378 -0.637 20 0 CBADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000660395542 420490382 /nfs/dbraw/zinc/49/03/82/420490382.db2.gz KFMSBKOFOSCWDZ-AVGNSLFASA-N 2 2 260.378 -0.637 20 0 CBADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000660395542 420490383 /nfs/dbraw/zinc/49/03/83/420490383.db2.gz KFMSBKOFOSCWDZ-AVGNSLFASA-N 2 2 260.378 -0.637 20 0 CBADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000660395542 420490385 /nfs/dbraw/zinc/49/03/85/420490385.db2.gz KFMSBKOFOSCWDZ-AVGNSLFASA-N 2 2 260.378 -0.637 20 0 CBADLP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@H]1C(=O)NCC[C@H]1C ZINC000660477406 420491478 /nfs/dbraw/zinc/49/14/78/420491478.db2.gz JSLHPTJWOTYCDN-IJLUTSLNSA-N 2 2 257.378 -0.198 20 0 CBADLP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@H]1C(=O)NCC[C@H]1C ZINC000660477406 420491480 /nfs/dbraw/zinc/49/14/80/420491480.db2.gz JSLHPTJWOTYCDN-IJLUTSLNSA-N 2 2 257.378 -0.198 20 0 CBADLP CNC(=O)CCCC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000517936964 260321357 /nfs/dbraw/zinc/32/13/57/260321357.db2.gz FLFQYMOYTYUWIQ-JTQLQIEISA-N 2 2 256.350 -0.996 20 0 CBADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCC(=O)NC(N)=O ZINC000521029410 262170675 /nfs/dbraw/zinc/17/06/75/262170675.db2.gz DFSWFUJQBXFWFI-SCZZXKLOSA-N 2 2 254.334 -0.356 20 0 CBADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCC(=O)NC(N)=O ZINC000521029410 262170677 /nfs/dbraw/zinc/17/06/77/262170677.db2.gz DFSWFUJQBXFWFI-SCZZXKLOSA-N 2 2 254.334 -0.356 20 0 CBADLP C[C@H](O)C[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000685003693 545078602 /nfs/dbraw/zinc/07/86/02/545078602.db2.gz KYOBFVDXCUPZPC-JQWIXIFHSA-N 2 2 255.362 -0.219 20 0 CBADLP C[C@H](O)C[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000685003693 545078603 /nfs/dbraw/zinc/07/86/03/545078603.db2.gz KYOBFVDXCUPZPC-JQWIXIFHSA-N 2 2 255.362 -0.219 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NCC[N@@H+]1CCCOCC1 ZINC000525879189 265017302 /nfs/dbraw/zinc/01/73/02/265017302.db2.gz VSCQZSPWHJGHIQ-UHFFFAOYSA-N 2 2 266.345 -0.199 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NCC[N@H+]1CCCOCC1 ZINC000525879189 265017306 /nfs/dbraw/zinc/01/73/06/265017306.db2.gz VSCQZSPWHJGHIQ-UHFFFAOYSA-N 2 2 266.345 -0.199 20 0 CBADLP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)CN1CC[NH2+]CC1=O ZINC000518973443 265266166 /nfs/dbraw/zinc/26/61/66/265266166.db2.gz WTLIRGCTDUKZBB-NWDGAFQWSA-N 2 2 282.388 -0.783 20 0 CBADLP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)CN1CC[NH2+]CC1=O ZINC000518973443 265266168 /nfs/dbraw/zinc/26/61/68/265266168.db2.gz WTLIRGCTDUKZBB-NWDGAFQWSA-N 2 2 282.388 -0.783 20 0 CBADLP C[C@@H](C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)[NH+]1CCN(C)CC1 ZINC000519398327 265416898 /nfs/dbraw/zinc/41/68/98/265416898.db2.gz QYLGUFPHFMYWHS-RWMBFGLXSA-N 2 2 266.389 -0.700 20 0 CBADLP CC[N@H+](CCO)CC[NH2+]C1CCN(CC(=O)OC)CC1 ZINC000187569777 269570436 /nfs/dbraw/zinc/57/04/36/269570436.db2.gz KOVNWJCNAWVKID-UHFFFAOYSA-N 2 2 287.404 -0.472 20 0 CBADLP CC[N@@H+](CCO)CC[NH2+]C1CCN(CC(=O)OC)CC1 ZINC000187569777 269570438 /nfs/dbraw/zinc/57/04/38/269570438.db2.gz KOVNWJCNAWVKID-UHFFFAOYSA-N 2 2 287.404 -0.472 20 0 CBADLP CCC[NH+]1CCC(CNC(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000236770104 269578856 /nfs/dbraw/zinc/57/88/56/269578856.db2.gz ZKYNDDBHAOBXSM-UHFFFAOYSA-N 2 2 296.415 -0.344 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1CCCc1c[nH+]cn1C ZINC000314321179 269583728 /nfs/dbraw/zinc/58/37/28/269583728.db2.gz HPVYDDFLXXIFQK-NEPJUHHUSA-N 2 2 267.329 -0.039 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1CCCc1c[nH+]cn1C ZINC000314321179 269583730 /nfs/dbraw/zinc/58/37/30/269583730.db2.gz HPVYDDFLXXIFQK-NEPJUHHUSA-N 2 2 267.329 -0.039 20 0 CBADLP CC(C)[C@@H](CNC(=O)[C@H]1C[C@H](O)C[NH2+]1)[NH+]1CCOCC1 ZINC000372887010 275670492 /nfs/dbraw/zinc/67/04/92/275670492.db2.gz KIUKPOHAEKBEGI-YNEHKIRRSA-N 2 2 285.388 -0.818 20 0 CBADLP CC(C)[C@H]([NH3+])C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000062976705 275702417 /nfs/dbraw/zinc/70/24/17/275702417.db2.gz DOCKVXOUGXOVST-RYUDHWBXSA-N 2 2 255.362 -0.097 20 0 CBADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)CC[C@@H]2CCC[NH2+]2)CC1 ZINC000494664195 275809526 /nfs/dbraw/zinc/80/95/26/275809526.db2.gz GQUCFTTVLAVUCI-LBPRGKRZSA-N 2 2 296.415 -0.073 20 0 CBADLP CC[C@H]([NH3+])C(=O)N1CC[NH+](C2(C(N)=O)CCCC2)CC1 ZINC000376789806 287925507 /nfs/dbraw/zinc/92/55/07/287925507.db2.gz MQPVBEPHOLVUTL-NSHDSACASA-N 2 2 282.388 -0.334 20 0 CBADLP CC(=O)NCC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371626625 277026648 /nfs/dbraw/zinc/02/66/48/277026648.db2.gz CBNAAVRFBZKHGW-CQSZACIVSA-N 2 2 296.415 -0.251 20 0 CBADLP CC(=O)NCC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371626625 277026649 /nfs/dbraw/zinc/02/66/49/277026649.db2.gz CBNAAVRFBZKHGW-CQSZACIVSA-N 2 2 296.415 -0.251 20 0 CBADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)CC[C@H]2CCC[NH2+]2)CC1 ZINC000494664182 277125860 /nfs/dbraw/zinc/12/58/60/277125860.db2.gz GQUCFTTVLAVUCI-GFCCVEGCSA-N 2 2 296.415 -0.073 20 0 CBADLP COC[C@H](CCO)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000228242487 277590343 /nfs/dbraw/zinc/59/03/43/277590343.db2.gz SQFJUGWEOZWVSD-JTQLQIEISA-N 2 2 256.350 -0.027 20 0 CBADLP C[C@@H]([NH3+])C[NH+]1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000442661219 277598367 /nfs/dbraw/zinc/59/83/67/277598367.db2.gz FLTNHXXDRPVOKY-PELKAZGASA-N 2 2 254.334 -0.356 20 0 CBADLP CC(C)N1CC[C@@H]([NH+]2CCN([C@H]3CC[NH2+]C3)CC2)C1=O ZINC000352519320 277620896 /nfs/dbraw/zinc/62/08/96/277620896.db2.gz NUHKLIWBXUZGBJ-UONOGXRCSA-N 2 2 280.416 -0.025 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000341667320 278262474 /nfs/dbraw/zinc/26/24/74/278262474.db2.gz SADFVNYEBZNJQY-UONOGXRCSA-N 2 2 296.415 -0.929 20 0 CBADLP C[C@@H]1CN(C)CC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338324711 288070226 /nfs/dbraw/zinc/07/02/26/288070226.db2.gz XQGCTWCXOANYHO-CYBMUJFWSA-N 2 2 268.405 -0.214 20 0 CBADLP C[C@@H]1CN(C)CC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338324711 288070229 /nfs/dbraw/zinc/07/02/29/288070229.db2.gz XQGCTWCXOANYHO-CYBMUJFWSA-N 2 2 268.405 -0.214 20 0 CBADLP C[C@@H]1C[N@H+](C)CCN1CCC(=O)N1CC[NH+](C)CC1 ZINC000338324711 288070230 /nfs/dbraw/zinc/07/02/30/288070230.db2.gz XQGCTWCXOANYHO-CYBMUJFWSA-N 2 2 268.405 -0.214 20 0 CBADLP C[C@@H]1C[N@@H+](C)CCN1CCC(=O)N1CC[NH+](C)CC1 ZINC000338324711 288070231 /nfs/dbraw/zinc/07/02/31/288070231.db2.gz XQGCTWCXOANYHO-CYBMUJFWSA-N 2 2 268.405 -0.214 20 0 CBADLP CCC[C@](C)([NH3+])C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000364254418 278965507 /nfs/dbraw/zinc/96/55/07/278965507.db2.gz PPSZPWYXLJQXRJ-YPMHNXCESA-N 2 2 254.378 -0.380 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1C[C@H]2OCC[NH+](C)[C@H]2C1 ZINC000427035069 288095735 /nfs/dbraw/zinc/09/57/35/288095735.db2.gz QZLZFOMUPXAISL-FVCCEPFGSA-N 2 2 267.373 -0.275 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1C[C@H]2OCC[NH+](C)[C@H]2C1 ZINC000427035069 288095738 /nfs/dbraw/zinc/09/57/38/288095738.db2.gz QZLZFOMUPXAISL-FVCCEPFGSA-N 2 2 267.373 -0.275 20 0 CBADLP C[C@@H]1C[NH+](C)C[C@H]1C(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000427035069 288095740 /nfs/dbraw/zinc/09/57/40/288095740.db2.gz QZLZFOMUPXAISL-FVCCEPFGSA-N 2 2 267.373 -0.275 20 0 CBADLP C[C@@H]1C[NH+](C)C[C@H]1C(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000427035069 288095742 /nfs/dbraw/zinc/09/57/42/288095742.db2.gz QZLZFOMUPXAISL-FVCCEPFGSA-N 2 2 267.373 -0.275 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CCC[N@@H+]1C ZINC000345301548 279092458 /nfs/dbraw/zinc/09/24/58/279092458.db2.gz SVILVGTWJHJCSP-GRYCIOLGSA-N 2 2 255.362 -0.084 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CCC[N@H+]1C ZINC000345301548 279092460 /nfs/dbraw/zinc/09/24/60/279092460.db2.gz SVILVGTWJHJCSP-GRYCIOLGSA-N 2 2 255.362 -0.084 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CCC[NH+]1C ZINC000345301548 279092462 /nfs/dbraw/zinc/09/24/62/279092462.db2.gz SVILVGTWJHJCSP-GRYCIOLGSA-N 2 2 255.362 -0.084 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CCC[NH+]1C ZINC000345301548 279092463 /nfs/dbraw/zinc/09/24/63/279092463.db2.gz SVILVGTWJHJCSP-GRYCIOLGSA-N 2 2 255.362 -0.084 20 0 CBADLP C[C@@]1(C[N@@H+]2CCN3C(=O)NC(=O)[C@H]3C2)CC[NH2+]C1 ZINC000262080935 279159506 /nfs/dbraw/zinc/15/95/06/279159506.db2.gz TVIGWBCNMFAKKP-BXKDBHETSA-N 2 2 252.318 -0.778 20 0 CBADLP C[C@@]1(C[N@H+]2CCN3C(=O)NC(=O)[C@H]3C2)CC[NH2+]C1 ZINC000262080935 279159508 /nfs/dbraw/zinc/15/95/08/279159508.db2.gz TVIGWBCNMFAKKP-BXKDBHETSA-N 2 2 252.318 -0.778 20 0 CBADLP CC(C)N1CC[C@H]([NH+]2CCN([C@H]3CC[NH2+]C3)CC2)C1=O ZINC000352519318 279531238 /nfs/dbraw/zinc/53/12/38/279531238.db2.gz NUHKLIWBXUZGBJ-KBPBESRZSA-N 2 2 280.416 -0.025 20 0 CBADLP O=C(c1[nH]nc2c1C[NH2+]CC2)N1CC[NH+](C2CC2)CC1 ZINC000188710904 280155875 /nfs/dbraw/zinc/15/58/75/280155875.db2.gz HMGTXGQVUFLSSA-UHFFFAOYSA-N 2 2 275.356 -0.024 20 0 CBADLP CC(C)[C@H]([NH3+])C(=O)N1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000378209723 280272966 /nfs/dbraw/zinc/27/29/66/280272966.db2.gz KZNMFEZDNPNFDA-OLZOCXBDSA-N 2 2 296.415 -0.217 20 0 CBADLP CN(C)S(=O)(=O)CC[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000368318706 289244737 /nfs/dbraw/zinc/24/47/37/289244737.db2.gz SVLWMGHCULWHMY-LBPRGKRZSA-N 2 2 275.418 -0.095 20 0 CBADLP CN(C)S(=O)(=O)CC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000368318706 289244738 /nfs/dbraw/zinc/24/47/38/289244738.db2.gz SVLWMGHCULWHMY-LBPRGKRZSA-N 2 2 275.418 -0.095 20 0 CBADLP CN(C)S(=O)(=O)CC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000368318706 289244741 /nfs/dbraw/zinc/24/47/41/289244741.db2.gz SVLWMGHCULWHMY-LBPRGKRZSA-N 2 2 275.418 -0.095 20 0 CBADLP CN(C)S(=O)(=O)CC[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000368318706 289244744 /nfs/dbraw/zinc/24/47/44/289244744.db2.gz SVLWMGHCULWHMY-LBPRGKRZSA-N 2 2 275.418 -0.095 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H](C(N)=O)C(C)(C)C)CC1 ZINC000180581503 290012053 /nfs/dbraw/zinc/01/20/53/290012053.db2.gz FJUJVEJWCWVTMZ-NSHDSACASA-N 2 2 270.377 -0.750 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000245419842 290074605 /nfs/dbraw/zinc/07/46/05/290074605.db2.gz HEAULWLSLODDTC-UONOGXRCSA-N 2 2 297.399 -0.360 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000245419842 290074607 /nfs/dbraw/zinc/07/46/07/290074607.db2.gz HEAULWLSLODDTC-UONOGXRCSA-N 2 2 297.399 -0.360 20 0 CBADLP C[C@H]1CC(O)C[C@H](C)[NH+]1CC(=O)N1CC[NH+](C)CC1 ZINC000191191839 290354570 /nfs/dbraw/zinc/35/45/70/290354570.db2.gz OOWYXJXPGLCYGW-RYUDHWBXSA-N 2 2 269.389 -0.006 20 0 CBADLP CO[C@@H](C[NH3+])CC(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000447442576 293522415 /nfs/dbraw/zinc/52/24/15/293522415.db2.gz SNQLDGOBMNLHFB-WDEREUQCSA-N 2 2 254.334 -0.001 20 0 CBADLP Cn1cc[nH+]c1[C@@H]1CN(C(=O)C2(C)C[NH2+]C2)CCN1C ZINC000333328182 294419223 /nfs/dbraw/zinc/41/92/23/294419223.db2.gz VRGPECOMDKUFFR-NSHDSACASA-N 2 2 277.372 -0.155 20 0 CBADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(=O)NC1CC1 ZINC000424299210 295300511 /nfs/dbraw/zinc/30/05/11/295300511.db2.gz DSFZCEONBAEHTC-NXEZZACHSA-N 2 2 254.334 -0.166 20 0 CBADLP C[C@H](C(=O)N1CCCCC1)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031588 298012823 /nfs/dbraw/zinc/01/28/23/298012823.db2.gz GNXNYZZBDXPPFX-CYBMUJFWSA-N 2 2 296.415 -0.249 20 0 CBADLP C[C@H](C(=O)N1CCCCC1)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031588 298012827 /nfs/dbraw/zinc/01/28/27/298012827.db2.gz GNXNYZZBDXPPFX-CYBMUJFWSA-N 2 2 296.415 -0.249 20 0 CBADLP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359313327 298038415 /nfs/dbraw/zinc/03/84/15/298038415.db2.gz VTAGSNIZIONROA-XQHKEYJVSA-N 2 2 294.399 -0.750 20 0 CBADLP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359313327 298038418 /nfs/dbraw/zinc/03/84/18/298038418.db2.gz VTAGSNIZIONROA-XQHKEYJVSA-N 2 2 294.399 -0.750 20 0 CBADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@H]1CCCN1S(C)(=O)=O ZINC000513526484 300226352 /nfs/dbraw/zinc/22/63/52/300226352.db2.gz ONSPKQQUHHRREM-QJPTWQEYSA-N 2 2 275.418 -0.050 20 0 CBADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@H]1CCCN1S(C)(=O)=O ZINC000513526484 300226354 /nfs/dbraw/zinc/22/63/54/300226354.db2.gz ONSPKQQUHHRREM-QJPTWQEYSA-N 2 2 275.418 -0.050 20 0 CBADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000449576037 300604306 /nfs/dbraw/zinc/60/43/06/300604306.db2.gz PLUCGICNANKKGM-JFGNBEQYSA-N 2 2 259.325 -0.477 20 0 CBADLP [NH2+]=C(NO)[C@@H]1CCCCN1C[C@H](O)C[NH+]1CCOCC1 ZINC000368526687 303220153 /nfs/dbraw/zinc/22/01/53/303220153.db2.gz UJKYDEROPUIMRB-NEPJUHHUSA-N 2 2 286.376 -0.510 20 0 CBADLP COC[C@H](C)C[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000188268703 327748562 /nfs/dbraw/zinc/74/85/62/327748562.db2.gz XTOSXBUGUSXILY-ZIAGYGMSSA-N 2 2 299.415 -0.208 20 0 CBADLP C[C@H](O)C[NH+]1CCN(c2cc[nH+]cc2C(N)=O)CC1 ZINC000189192765 327768089 /nfs/dbraw/zinc/76/80/89/327768089.db2.gz HFTJYVIQFXRSTR-JTQLQIEISA-N 2 2 264.329 -0.317 20 0 CBADLP CN(CCC[NH+](C)C)C(=O)NCC[NH+]1CCOCC1 ZINC000183244751 327818357 /nfs/dbraw/zinc/81/83/57/327818357.db2.gz IQQXDPNFRYFVHG-UHFFFAOYSA-N 2 2 272.393 -0.088 20 0 CBADLP COCCN1C(=O)C[C@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)C1=O ZINC000563348698 328056651 /nfs/dbraw/zinc/05/66/51/328056651.db2.gz MNGYZIPDCCVTEL-NEPJUHHUSA-N 2 2 283.372 -0.308 20 0 CBADLP COCCN1C(=O)C[C@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)C1=O ZINC000563348698 328056652 /nfs/dbraw/zinc/05/66/52/328056652.db2.gz MNGYZIPDCCVTEL-NEPJUHHUSA-N 2 2 283.372 -0.308 20 0 CBADLP C[C@@H]1C[N@@H+]([C@H]2CC(=O)NC2=O)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000563348090 328056702 /nfs/dbraw/zinc/05/67/02/328056702.db2.gz HPWNPTGQCDXTKV-AGIUHOORSA-N 2 2 294.399 -0.641 20 0 CBADLP C[C@@H]1C[N@H+]([C@H]2CC(=O)NC2=O)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000563348090 328056704 /nfs/dbraw/zinc/05/67/04/328056704.db2.gz HPWNPTGQCDXTKV-AGIUHOORSA-N 2 2 294.399 -0.641 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000563349214 328057013 /nfs/dbraw/zinc/05/70/13/328057013.db2.gz FGEHMYZWIZURGT-ZFWWWQNUSA-N 2 2 299.415 -0.472 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000563349214 328057014 /nfs/dbraw/zinc/05/70/14/328057014.db2.gz FGEHMYZWIZURGT-ZFWWWQNUSA-N 2 2 299.415 -0.472 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000563349214 328057015 /nfs/dbraw/zinc/05/70/15/328057015.db2.gz FGEHMYZWIZURGT-ZFWWWQNUSA-N 2 2 299.415 -0.472 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000563349214 328057016 /nfs/dbraw/zinc/05/70/16/328057016.db2.gz FGEHMYZWIZURGT-ZFWWWQNUSA-N 2 2 299.415 -0.472 20 0 CBADLP CC[NH2+]CCNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000563447934 328066301 /nfs/dbraw/zinc/06/63/01/328066301.db2.gz GBYNLUBUYDCOBI-UHFFFAOYSA-N 2 2 275.312 -0.002 20 0 CBADLP COc1ncncc1NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000563467126 328067321 /nfs/dbraw/zinc/06/73/21/328067321.db2.gz CZQCKCKWUWQUQZ-SECBINFHSA-N 2 2 280.332 -0.408 20 0 CBADLP COc1ncncc1NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000563467126 328067322 /nfs/dbraw/zinc/06/73/22/328067322.db2.gz CZQCKCKWUWQUQZ-SECBINFHSA-N 2 2 280.332 -0.408 20 0 CBADLP O=C1c2ccccc2C(=O)N1CC[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000563460597 328068136 /nfs/dbraw/zinc/06/81/36/328068136.db2.gz KWKSJYMXQBOHQB-NSHDSACASA-N 2 2 289.335 -0.139 20 0 CBADLP CC[NH+](CC)CCNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000563529457 328071983 /nfs/dbraw/zinc/07/19/83/328071983.db2.gz LKMUUMXQJXPYFR-GFCCVEGCSA-N 3 2 271.409 -0.388 20 0 CBADLP CC[NH+](CC)CCNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000563529457 328071984 /nfs/dbraw/zinc/07/19/84/328071984.db2.gz LKMUUMXQJXPYFR-GFCCVEGCSA-N 3 2 271.409 -0.388 20 0 CBADLP COC[C@H](C)CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000563581200 328075194 /nfs/dbraw/zinc/07/51/94/328075194.db2.gz JHVNPGLFIFOAFE-MNOVXSKESA-N 2 2 258.366 -0.447 20 0 CBADLP COC[C@H](C)CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000563581200 328075196 /nfs/dbraw/zinc/07/51/96/328075196.db2.gz JHVNPGLFIFOAFE-MNOVXSKESA-N 2 2 258.366 -0.447 20 0 CBADLP C[C@H](C(=O)NC[C@@H]1C[N@H+](C)CCO1)[NH+]1CC(C)C1 ZINC000571102058 328086648 /nfs/dbraw/zinc/08/66/48/328086648.db2.gz DOOJCBPYFSROFN-VXGBXAGGSA-N 2 2 255.362 -0.227 20 0 CBADLP C[C@H](C(=O)NC[C@@H]1C[N@@H+](C)CCO1)[NH+]1CC(C)C1 ZINC000571102058 328086649 /nfs/dbraw/zinc/08/66/49/328086649.db2.gz DOOJCBPYFSROFN-VXGBXAGGSA-N 2 2 255.362 -0.227 20 0 CBADLP C[C@H](C(=O)NC1CCCC1)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000571299013 328100610 /nfs/dbraw/zinc/10/06/10/328100610.db2.gz JVPDUZCHKZVXMV-KGYLQXTDSA-N 2 2 294.399 -0.323 20 0 CBADLP C[C@H](C(=O)NC1CCCC1)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000571299013 328100612 /nfs/dbraw/zinc/10/06/12/328100612.db2.gz JVPDUZCHKZVXMV-KGYLQXTDSA-N 2 2 294.399 -0.323 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](C)[C@@H]1CO ZINC000394107734 329100046 /nfs/dbraw/zinc/10/00/46/329100046.db2.gz DXEOJMHACFWXKN-AGIUHOORSA-N 2 2 260.378 -0.372 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](C)[C@@H]1CO ZINC000394107734 329100048 /nfs/dbraw/zinc/10/00/48/329100048.db2.gz DXEOJMHACFWXKN-AGIUHOORSA-N 2 2 260.378 -0.372 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](c3nnc[nH]3)C2)CC1 ZINC000571636639 328151351 /nfs/dbraw/zinc/15/13/51/328151351.db2.gz XGZXOXJHAVMSTM-NSHDSACASA-N 2 2 278.360 -0.632 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](c3nnc[nH]3)C2)CC1 ZINC000571636639 328151353 /nfs/dbraw/zinc/15/13/53/328151353.db2.gz XGZXOXJHAVMSTM-NSHDSACASA-N 2 2 278.360 -0.632 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CCN(S(C)(=O)=O)C1 ZINC000575321742 335093436 /nfs/dbraw/zinc/09/34/36/335093436.db2.gz HWOVGDQCJQMODE-MXWKQRLJSA-N 2 2 261.391 -0.440 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CCN(S(C)(=O)=O)C1 ZINC000575321742 335093438 /nfs/dbraw/zinc/09/34/38/335093438.db2.gz HWOVGDQCJQMODE-MXWKQRLJSA-N 2 2 261.391 -0.440 20 0 CBADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]CCC(=O)NC(N)=O)C1 ZINC000557294765 327000551 /nfs/dbraw/zinc/00/05/51/327000551.db2.gz AOVQMQBHKMJXEK-NSHDSACASA-N 2 2 286.376 -0.482 20 0 CBADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]CCC(=O)NC(N)=O)C1 ZINC000557294765 327000552 /nfs/dbraw/zinc/00/05/52/327000552.db2.gz AOVQMQBHKMJXEK-NSHDSACASA-N 2 2 286.376 -0.482 20 0 CBADLP CCCCNC(=O)[C@H](C)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000568664739 327009562 /nfs/dbraw/zinc/00/95/62/327009562.db2.gz RRFSBTHITYBRGS-TUAOUCFPSA-N 2 2 282.388 -0.465 20 0 CBADLP CCCCNC(=O)[C@H](C)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000568664739 327009563 /nfs/dbraw/zinc/00/95/63/327009563.db2.gz RRFSBTHITYBRGS-TUAOUCFPSA-N 2 2 282.388 -0.465 20 0 CBADLP CN1CC[NH2+]C[C@H]1CNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000576038839 327010682 /nfs/dbraw/zinc/01/06/82/327010682.db2.gz SDFGAQYZXADWJE-DTWKUNHWSA-N 2 2 262.304 -0.997 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)C[C@H]2C[NH2+]CCO2)CCO1 ZINC000584175296 327058513 /nfs/dbraw/zinc/05/85/13/327058513.db2.gz RQUYIYDHKQQWQD-NEPJUHHUSA-N 2 2 271.361 -0.798 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)C[C@H]2C[NH2+]CCO2)CCO1 ZINC000584175296 327058514 /nfs/dbraw/zinc/05/85/14/327058514.db2.gz RQUYIYDHKQQWQD-NEPJUHHUSA-N 2 2 271.361 -0.798 20 0 CBADLP COc1cc[nH+]c(Cn2nnnc2C[NH3+])c1OC ZINC000564926441 327153808 /nfs/dbraw/zinc/15/38/08/327153808.db2.gz ISYQORXEBVALMA-UHFFFAOYSA-N 2 2 250.262 -0.408 20 0 CBADLP C[N@@H+]1CCN(C(=O)COC[C@H]2CCOC2)[C@@H](C[NH3+])C1 ZINC000569454276 327179352 /nfs/dbraw/zinc/17/93/52/327179352.db2.gz BCZZOQFVFVOSHL-RYUDHWBXSA-N 2 2 271.361 -0.859 20 0 CBADLP C[N@H+]1CCN(C(=O)COC[C@H]2CCOC2)[C@@H](C[NH3+])C1 ZINC000569454276 327179354 /nfs/dbraw/zinc/17/93/54/327179354.db2.gz BCZZOQFVFVOSHL-RYUDHWBXSA-N 2 2 271.361 -0.859 20 0 CBADLP Cn1cc[nH+]c1CN1CCN(C(=O)COC2C[NH2+]C2)CC1 ZINC000564656185 327196822 /nfs/dbraw/zinc/19/68/22/327196822.db2.gz ZUAQZHURUUFIAB-UHFFFAOYSA-N 2 2 293.371 -0.947 20 0 CBADLP Cn1ccc(CC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])n1 ZINC000564944127 327247592 /nfs/dbraw/zinc/24/75/92/327247592.db2.gz IQDYKMAEXKLUOF-LLVKDONJSA-N 2 2 251.334 -0.936 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](N2CCNC2=O)C1 ZINC000574168781 327296430 /nfs/dbraw/zinc/29/64/30/327296430.db2.gz HAQWIRAHUFAIOQ-STQMWFEESA-N 2 2 284.404 -0.211 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](N2CCNC2=O)C1 ZINC000574168781 327296433 /nfs/dbraw/zinc/29/64/33/327296433.db2.gz HAQWIRAHUFAIOQ-STQMWFEESA-N 2 2 284.404 -0.211 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000574168781 327296435 /nfs/dbraw/zinc/29/64/35/327296435.db2.gz HAQWIRAHUFAIOQ-STQMWFEESA-N 2 2 284.404 -0.211 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000574168781 327296436 /nfs/dbraw/zinc/29/64/36/327296436.db2.gz HAQWIRAHUFAIOQ-STQMWFEESA-N 2 2 284.404 -0.211 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000574168779 327296474 /nfs/dbraw/zinc/29/64/74/327296474.db2.gz HAQWIRAHUFAIOQ-OLZOCXBDSA-N 2 2 284.404 -0.211 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000574168779 327296475 /nfs/dbraw/zinc/29/64/75/327296475.db2.gz HAQWIRAHUFAIOQ-OLZOCXBDSA-N 2 2 284.404 -0.211 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000574168779 327296477 /nfs/dbraw/zinc/29/64/77/327296477.db2.gz HAQWIRAHUFAIOQ-OLZOCXBDSA-N 2 2 284.404 -0.211 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000574168779 327296479 /nfs/dbraw/zinc/29/64/79/327296479.db2.gz HAQWIRAHUFAIOQ-OLZOCXBDSA-N 2 2 284.404 -0.211 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](N2CCNC2=O)C1 ZINC000574168780 327296547 /nfs/dbraw/zinc/29/65/47/327296547.db2.gz HAQWIRAHUFAIOQ-QWHCGFSZSA-N 2 2 284.404 -0.211 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](N2CCNC2=O)C1 ZINC000574168780 327296548 /nfs/dbraw/zinc/29/65/48/327296548.db2.gz HAQWIRAHUFAIOQ-QWHCGFSZSA-N 2 2 284.404 -0.211 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000574168780 327296550 /nfs/dbraw/zinc/29/65/50/327296550.db2.gz HAQWIRAHUFAIOQ-QWHCGFSZSA-N 2 2 284.404 -0.211 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000574168780 327296552 /nfs/dbraw/zinc/29/65/52/327296552.db2.gz HAQWIRAHUFAIOQ-QWHCGFSZSA-N 2 2 284.404 -0.211 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@](C)(C(=O)OC)C1 ZINC000560466117 327311515 /nfs/dbraw/zinc/31/15/15/327311515.db2.gz QIFWDQZXZUVCGD-OCCSQVGLSA-N 2 2 288.388 -0.190 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@](C)(C(=O)OC)C1 ZINC000560466117 327311517 /nfs/dbraw/zinc/31/15/17/327311517.db2.gz QIFWDQZXZUVCGD-OCCSQVGLSA-N 2 2 288.388 -0.190 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@](C)(C(=O)OC)C1 ZINC000560466117 327311519 /nfs/dbraw/zinc/31/15/19/327311519.db2.gz QIFWDQZXZUVCGD-OCCSQVGLSA-N 2 2 288.388 -0.190 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@](C)(C(=O)OC)C1 ZINC000560466117 327311521 /nfs/dbraw/zinc/31/15/21/327311521.db2.gz QIFWDQZXZUVCGD-OCCSQVGLSA-N 2 2 288.388 -0.190 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000583389801 327339758 /nfs/dbraw/zinc/33/97/58/327339758.db2.gz XLALNMVKHKIJOR-MNOVXSKESA-N 2 2 253.350 -0.093 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000583389801 327339760 /nfs/dbraw/zinc/33/97/60/327339760.db2.gz XLALNMVKHKIJOR-MNOVXSKESA-N 2 2 253.350 -0.093 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000583389801 327339761 /nfs/dbraw/zinc/33/97/61/327339761.db2.gz XLALNMVKHKIJOR-MNOVXSKESA-N 2 2 253.350 -0.093 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000583389801 327339763 /nfs/dbraw/zinc/33/97/63/327339763.db2.gz XLALNMVKHKIJOR-MNOVXSKESA-N 2 2 253.350 -0.093 20 0 CBADLP [NH3+][C@H]1C[C@@H]2C[N@@H+](CC(=O)N3CCCCC3)CCN2C1=O ZINC000583392798 327340643 /nfs/dbraw/zinc/34/06/43/327340643.db2.gz QFOSXPVBDBIOBO-NEPJUHHUSA-N 2 2 280.372 -0.757 20 0 CBADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)C[NH2+]C)CC1 ZINC000564996161 327351216 /nfs/dbraw/zinc/35/12/16/327351216.db2.gz RIKZDBAPPJVEGE-GFCCVEGCSA-N 2 2 284.404 -0.488 20 0 CBADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C)C[NH2+]C)CC1 ZINC000564996161 327351218 /nfs/dbraw/zinc/35/12/18/327351218.db2.gz RIKZDBAPPJVEGE-GFCCVEGCSA-N 2 2 284.404 -0.488 20 0 CBADLP COc1ccc(CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cn1 ZINC000561149412 327369224 /nfs/dbraw/zinc/36/92/24/327369224.db2.gz QTEQJHAQYRCWRI-GFCCVEGCSA-N 2 2 293.371 -0.126 20 0 CBADLP COc1ccc(CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cn1 ZINC000561149412 327369226 /nfs/dbraw/zinc/36/92/26/327369226.db2.gz QTEQJHAQYRCWRI-GFCCVEGCSA-N 2 2 293.371 -0.126 20 0 CBADLP CCCCCNC(=O)[C@H](C)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000566494591 327398843 /nfs/dbraw/zinc/39/88/43/327398843.db2.gz APPNRZPJZHJVKN-RWMBFGLXSA-N 2 2 296.415 -0.075 20 0 CBADLP CCCCCNC(=O)[C@H](C)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000566494591 327398845 /nfs/dbraw/zinc/39/88/45/327398845.db2.gz APPNRZPJZHJVKN-RWMBFGLXSA-N 2 2 296.415 -0.075 20 0 CBADLP COC(=O)CC[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000565028228 327399433 /nfs/dbraw/zinc/39/94/33/327399433.db2.gz BLKLIFVTWWHEFZ-WDEREUQCSA-N 2 2 287.360 -0.896 20 0 CBADLP COC(=O)CC[C@@H]([NH3+])C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000565028228 327399435 /nfs/dbraw/zinc/39/94/35/327399435.db2.gz BLKLIFVTWWHEFZ-WDEREUQCSA-N 2 2 287.360 -0.896 20 0 CBADLP CCO[C@@H]1COC[C@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000562726076 327509589 /nfs/dbraw/zinc/50/95/89/327509589.db2.gz BUGDIZZVMQKGSC-VXGBXAGGSA-N 2 2 271.361 -0.846 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)[C@@H]1CO ZINC000394107734 329100043 /nfs/dbraw/zinc/10/00/43/329100043.db2.gz DXEOJMHACFWXKN-AGIUHOORSA-N 2 2 260.378 -0.372 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)[C@@H]1CO ZINC000394107734 329100045 /nfs/dbraw/zinc/10/00/45/329100045.db2.gz DXEOJMHACFWXKN-AGIUHOORSA-N 2 2 260.378 -0.372 20 0 CBADLP C[C@]1(C[NH3+])CC[N@H+](CC(=O)NC[C@H]2CCCO2)C1 ZINC000394063927 329100813 /nfs/dbraw/zinc/10/08/13/329100813.db2.gz SYYPCFZKLLGVIT-DGCLKSJQSA-N 2 2 255.362 -0.048 20 0 CBADLP C[C@]1(C[NH3+])CC[N@@H+](CC(=O)NC[C@H]2CCCO2)C1 ZINC000394063927 329100815 /nfs/dbraw/zinc/10/08/15/329100815.db2.gz SYYPCFZKLLGVIT-DGCLKSJQSA-N 2 2 255.362 -0.048 20 0 CBADLP C[C@H]1C[N@H+](CCN2C[C@H](O)[C@@H]([NH+](C)C)C2)CCO1 ZINC000584359279 329104127 /nfs/dbraw/zinc/10/41/27/329104127.db2.gz XAUHCNZBPRITNQ-AVGNSLFASA-N 2 2 257.378 -0.686 20 0 CBADLP C[C@H]1C[N@@H+](CCN2C[C@H](O)[C@@H]([NH+](C)C)C2)CCO1 ZINC000584359279 329104129 /nfs/dbraw/zinc/10/41/29/329104129.db2.gz XAUHCNZBPRITNQ-AVGNSLFASA-N 2 2 257.378 -0.686 20 0 CBADLP COC[C@]1(C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)CC[NH2+]C1 ZINC000582548706 329105820 /nfs/dbraw/zinc/10/58/20/329105820.db2.gz UIACCYPVXWIKCY-JSGCOSHPSA-N 2 2 285.388 -0.551 20 0 CBADLP COC[C@]1(C(=O)NCC[N@H+]2CCO[C@@H](C)C2)CC[NH2+]C1 ZINC000582548706 329105821 /nfs/dbraw/zinc/10/58/21/329105821.db2.gz UIACCYPVXWIKCY-JSGCOSHPSA-N 2 2 285.388 -0.551 20 0 CBADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+][C@@H]2CC[C@H]2O)C[C@H](C)O1 ZINC000582786285 329196543 /nfs/dbraw/zinc/19/65/43/329196543.db2.gz YCGOZSSZBRXXOK-OBPIAQAESA-N 2 2 258.362 -0.431 20 0 CBADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+][C@@H]2CC[C@H]2O)C[C@H](C)O1 ZINC000582786285 329196545 /nfs/dbraw/zinc/19/65/45/329196545.db2.gz YCGOZSSZBRXXOK-OBPIAQAESA-N 2 2 258.362 -0.431 20 0 CBADLP Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)C[NH+](C)C ZINC000582965749 329294808 /nfs/dbraw/zinc/29/48/08/329294808.db2.gz XCCXFCUQGXRLEP-SNVBAGLBSA-N 2 2 251.334 -0.545 20 0 CBADLP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000583018925 329298056 /nfs/dbraw/zinc/29/80/56/329298056.db2.gz LZKRDDLVIKEDCM-CYBMUJFWSA-N 2 2 294.399 -0.497 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000572360812 330004045 /nfs/dbraw/zinc/00/40/45/330004045.db2.gz LMXOWKPFAJQTBG-OLZOCXBDSA-N 2 2 294.399 -0.734 20 0 CBADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@H]2CC[C@@H]2C(N)=O)CC1 ZINC000575328104 335094528 /nfs/dbraw/zinc/09/45/28/335094528.db2.gz KVMHXQMNFRXPKT-STQMWFEESA-N 2 2 296.415 -0.360 20 0 CBADLP CO[C@H]1C[NH2+][C@@H](C(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)C1 ZINC000575409036 335101406 /nfs/dbraw/zinc/10/14/06/335101406.db2.gz CPHMAOSKBMOFHD-AAVRWANBSA-N 2 2 297.399 -0.458 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000566249455 334638762 /nfs/dbraw/zinc/63/87/62/334638762.db2.gz SEMROQNGPZUGLV-CHWSQXEVSA-N 2 2 294.399 -0.591 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NC1CC[NH2+]CC1 ZINC000575921262 335131159 /nfs/dbraw/zinc/13/11/59/335131159.db2.gz ODUMOAVAPOFYJN-UHFFFAOYSA-N 2 2 270.377 -0.689 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NC1CC[NH2+]CC1 ZINC000575921262 335131160 /nfs/dbraw/zinc/13/11/60/335131160.db2.gz ODUMOAVAPOFYJN-UHFFFAOYSA-N 2 2 270.377 -0.689 20 0 CBADLP C[C@H](C(=O)N1CCC[NH2+]CC1)[NH+]1CCN(C)CC1 ZINC000576040438 335144456 /nfs/dbraw/zinc/14/44/56/335144456.db2.gz FYHLOPNGJYUFEW-GFCCVEGCSA-N 2 2 254.378 -0.556 20 0 CBADLP COC(=O)C[C@H]([NH3+])C(=O)NCCCNc1cccc[nH+]1 ZINC000564917855 334528118 /nfs/dbraw/zinc/52/81/18/334528118.db2.gz ARVSMLNDPBORDD-JTQLQIEISA-N 2 2 280.328 -0.110 20 0 CBADLP O=C(NC[C@@H]1C[NH2+]CCO1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000564956381 334530261 /nfs/dbraw/zinc/53/02/61/334530261.db2.gz KINBLZHUNSNAGM-LBPRGKRZSA-N 2 2 287.323 -0.015 20 0 CBADLP OCC1([NH2+]CC2CC2)CC[NH+]([C@H]2COC[C@H]2O)CC1 ZINC000565050843 334536660 /nfs/dbraw/zinc/53/66/60/334536660.db2.gz IAHHMKGQCBBQGV-QWHCGFSZSA-N 2 2 270.373 -0.427 20 0 CBADLP O=C(Cn1c[nH+]c2c1CCCC2)N1CC[NH+](CCO)CC1 ZINC000305787451 334580734 /nfs/dbraw/zinc/58/07/34/334580734.db2.gz BPOSDIMBVFKMKS-UHFFFAOYSA-N 2 2 292.383 -0.102 20 0 CBADLP COC(=O)C[C@H]([NH3+])C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000567755117 334758509 /nfs/dbraw/zinc/75/85/09/334758509.db2.gz VZJTZBQXBQTASR-NSHDSACASA-N 2 2 292.339 -0.379 20 0 CBADLP CN(C)C(=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000157194708 334762818 /nfs/dbraw/zinc/76/28/18/334762818.db2.gz AOYDIUJSLQMZBL-UHFFFAOYSA-N 2 2 296.415 -0.439 20 0 CBADLP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCCn1cc[nH+]c1 ZINC000567880893 334771430 /nfs/dbraw/zinc/77/14/30/334771430.db2.gz PCNXNGSTWOLPJH-VHSXEESVSA-N 2 2 267.333 -0.759 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)COC1CC[NH2+]CC1 ZINC000572717200 334873945 /nfs/dbraw/zinc/87/39/45/334873945.db2.gz PGRVRYNTIGLKQC-UHFFFAOYSA-N 2 2 285.388 -0.454 20 0 CBADLP C[C@H](CC(=O)NC[C@@H]1C[NH2+]CCO1)n1cc[nH+]c1 ZINC000576355991 335193569 /nfs/dbraw/zinc/19/35/69/335193569.db2.gz WVKUZYNRXLXUKL-MNOVXSKESA-N 2 2 252.318 -0.061 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000576873037 335258538 /nfs/dbraw/zinc/25/85/38/335258538.db2.gz YRGBJGLHTBAFKL-VXGBXAGGSA-N 2 2 284.404 -0.301 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000576873037 335258540 /nfs/dbraw/zinc/25/85/40/335258540.db2.gz YRGBJGLHTBAFKL-VXGBXAGGSA-N 2 2 284.404 -0.301 20 0 CBADLP Cc1noc(CCCC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])n1 ZINC000576986001 335273650 /nfs/dbraw/zinc/27/36/50/335273650.db2.gz HWOFGXSZGHZOHC-LLVKDONJSA-N 2 2 281.360 -0.198 20 0 CBADLP CO[C@H](C[NH3+])C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000580561488 335281580 /nfs/dbraw/zinc/28/15/80/335281580.db2.gz DBULFVFKLNYBKQ-LLVKDONJSA-N 2 2 279.344 -0.593 20 0 CBADLP C[C@H](C(=O)N1CCCCC1)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000577077304 335296449 /nfs/dbraw/zinc/29/64/49/335296449.db2.gz IPIVJUXAKFFKHJ-UPJWGTAASA-N 2 2 294.399 -0.369 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH2+]CC1(S(C)(=O)=O)CCC1)C1CC1 ZINC000577386009 335346465 /nfs/dbraw/zinc/34/64/65/335346465.db2.gz KDWNOTXGIHSOLM-GFCCVEGCSA-N 2 2 290.429 -0.002 20 0 CBADLP C[C@@H](NC(=O)[C@]12C[C@H]1CC[NH2+]2)[C@@H](C)[NH+]1CCOCC1 ZINC000578363195 335620327 /nfs/dbraw/zinc/62/03/27/335620327.db2.gz IAEFMBJFPGNARA-BYNQJWBRSA-N 2 2 267.373 -0.036 20 0 CBADLP CCOC[C@@H](O)C[NH2+]C[C@@H](C)C[NH+]1CCOCC1 ZINC000578523143 335645174 /nfs/dbraw/zinc/64/51/74/335645174.db2.gz NXYBEMFUULTXNS-OLZOCXBDSA-N 2 2 260.378 -0.058 20 0 CBADLP CNC(=O)C[NH+]1CCC(NC(=O)CC(F)(F)C[NH3+])CC1 ZINC000580781042 335966018 /nfs/dbraw/zinc/96/60/18/335966018.db2.gz RYJYVYAOQAQCPO-UHFFFAOYSA-N 2 2 292.330 -0.703 20 0 CBADLP CCOC[C@@H](O)C[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000581071299 336004144 /nfs/dbraw/zinc/00/41/44/336004144.db2.gz DAVSDHYHZCKKRS-STQMWFEESA-N 2 2 260.378 -0.180 20 0 CBADLP CCOC[C@@H](O)C[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000581071299 336004145 /nfs/dbraw/zinc/00/41/45/336004145.db2.gz DAVSDHYHZCKKRS-STQMWFEESA-N 2 2 260.378 -0.180 20 0 CBADLP CCOC[C@H](O)C[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000581071298 336004172 /nfs/dbraw/zinc/00/41/72/336004172.db2.gz DAVSDHYHZCKKRS-QWHCGFSZSA-N 2 2 260.378 -0.180 20 0 CBADLP CCOC[C@H](O)C[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000581071298 336004174 /nfs/dbraw/zinc/00/41/74/336004174.db2.gz DAVSDHYHZCKKRS-QWHCGFSZSA-N 2 2 260.378 -0.180 20 0 CBADLP C[N@@H+]1CCN(C(=O)NC[C@H]([NH3+])c2ccccc2)[C@H](C[NH3+])C1 ZINC000581300012 336041561 /nfs/dbraw/zinc/04/15/61/336041561.db2.gz FBEQERHLQFBRKD-KGLIPLIRSA-N 3 2 291.399 -0.029 20 0 CBADLP C[N@H+]1CCN(C(=O)NC[C@H]([NH3+])c2ccccc2)[C@H](C[NH3+])C1 ZINC000581300012 336041562 /nfs/dbraw/zinc/04/15/62/336041562.db2.gz FBEQERHLQFBRKD-KGLIPLIRSA-N 3 2 291.399 -0.029 20 0 CBADLP OCC[N@@H+]1CCCC[C@H]1C[NH2+]C[C@H](O)Cn1cccn1 ZINC000581370075 336063049 /nfs/dbraw/zinc/06/30/49/336063049.db2.gz IIBQPHDPKCOJPN-KBPBESRZSA-N 2 2 282.388 -0.320 20 0 CBADLP OCC[N@H+]1CCCC[C@H]1C[NH2+]C[C@H](O)Cn1cccn1 ZINC000581370075 336063050 /nfs/dbraw/zinc/06/30/50/336063050.db2.gz IIBQPHDPKCOJPN-KBPBESRZSA-N 2 2 282.388 -0.320 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H](C)[NH2+]C1CC1 ZINC000382935833 336098807 /nfs/dbraw/zinc/09/88/07/336098807.db2.gz HELPNJULTOSDBZ-QWRGUYRKSA-N 2 2 255.362 -0.036 20 0 CBADLP C[C@@H]1C[C@@H](C)N(C(=O)CN2CC[NH2+]CC2=O)C[C@@H]1C[NH3+] ZINC000581601822 336109916 /nfs/dbraw/zinc/10/99/16/336109916.db2.gz FFXHASHBMLLXSZ-UTUOFQBUSA-N 2 2 282.388 -0.750 20 0 CBADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)N(C)Cc1[nH+]ccn1C ZINC000385596165 336152257 /nfs/dbraw/zinc/15/22/57/336152257.db2.gz JXHQGJDRTZWHKD-KOLCDFICSA-N 2 2 252.318 -0.245 20 0 CBADLP C[C@@H]1[C@@H](CO)CC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000385645450 336153402 /nfs/dbraw/zinc/15/34/02/336153402.db2.gz DMRDTQDBMNNHQL-VXGBXAGGSA-N 2 2 255.362 -0.537 20 0 CBADLP C[C@@H]1[C@@H](CO)CC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000385645450 336153403 /nfs/dbraw/zinc/15/34/03/336153403.db2.gz DMRDTQDBMNNHQL-VXGBXAGGSA-N 2 2 255.362 -0.537 20 0 CBADLP CC[C@@H]1[C@H](CO)CC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000385888301 336159448 /nfs/dbraw/zinc/15/94/48/336159448.db2.gz CQSCDIVKDDVJNE-QWHCGFSZSA-N 2 2 269.389 -0.147 20 0 CBADLP CC[C@@H]1[C@H](CO)CC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000385888301 336159450 /nfs/dbraw/zinc/15/94/50/336159450.db2.gz CQSCDIVKDDVJNE-QWHCGFSZSA-N 2 2 269.389 -0.147 20 0 CBADLP C[C@@H](NC(=O)C(C)(C)c1c[nH]c[nH+]1)C(=O)NCC[NH+](C)C ZINC000581894231 336162089 /nfs/dbraw/zinc/16/20/89/336162089.db2.gz MOTHXDVJKMLZBV-SNVBAGLBSA-N 2 2 295.387 -0.130 20 0 CBADLP COCCCNC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000386144366 336166741 /nfs/dbraw/zinc/16/67/41/336166741.db2.gz OBCXTYVARHJZNC-NWDGAFQWSA-N 2 2 255.362 -0.320 20 0 CBADLP COCCCNC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000386144366 336166742 /nfs/dbraw/zinc/16/67/42/336166742.db2.gz OBCXTYVARHJZNC-NWDGAFQWSA-N 2 2 255.362 -0.320 20 0 CBADLP C[C@@H]([NH2+]CCS(=O)(=O)N(C)C)[C@@H]1CCCC[NH2+]1 ZINC000386499520 336175979 /nfs/dbraw/zinc/17/59/79/336175979.db2.gz VOAUBCQHLPVGBT-MNOVXSKESA-N 2 2 263.407 -0.002 20 0 CBADLP C[C@H]([NH2+]CCS(=O)(=O)N(C)C)[C@@H]1CCCC[NH2+]1 ZINC000386499522 336176001 /nfs/dbraw/zinc/17/60/01/336176001.db2.gz VOAUBCQHLPVGBT-QWRGUYRKSA-N 2 2 263.407 -0.002 20 0 CBADLP C[NH+]1CCC[C@@H]2C[N@@H+](CCS(N)(=O)=O)CC[C@H]21 ZINC000766124650 582329773 /nfs/dbraw/zinc/32/97/73/582329773.db2.gz ZUGLORQYVVSQFX-GHMZBOCLSA-N 2 2 261.391 -0.309 20 0 CBADLP C[C@H]1C[NH2+]CCN1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000333787444 534009142 /nfs/dbraw/zinc/00/91/42/534009142.db2.gz LYHFHCLFXIJMDW-LBPRGKRZSA-N 2 2 282.388 -0.146 20 0 CBADLP COC(=O)[C@@H](C)C[N@@H+]1CCO[C@H](CN2CC[NH+](C)CC2)C1 ZINC000375699778 534212915 /nfs/dbraw/zinc/21/29/15/534212915.db2.gz XFNQELYRVDQFBA-UONOGXRCSA-N 2 2 299.415 -0.256 20 0 CBADLP COC(=O)[C@@H](C)C[N@H+]1CCO[C@H](CN2CC[NH+](C)CC2)C1 ZINC000375699778 534212921 /nfs/dbraw/zinc/21/29/21/534212921.db2.gz XFNQELYRVDQFBA-UONOGXRCSA-N 2 2 299.415 -0.256 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000567405158 518193147 /nfs/dbraw/zinc/19/31/47/518193147.db2.gz RLLCMKGGRURLBR-QWRGUYRKSA-N 2 2 252.318 -0.606 20 0 CBADLP O=C([C@H]1CC[NH2+]C1)N1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000378206759 534631625 /nfs/dbraw/zinc/63/16/25/534631625.db2.gz AHDKQIGCXOVVGC-STQMWFEESA-N 2 2 294.399 -0.591 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@H]2CSC[NH2+]2)CC1 ZINC000164007098 523849159 /nfs/dbraw/zinc/84/91/59/523849159.db2.gz YUQYPBGCTWJHLO-SNVBAGLBSA-N 2 2 259.375 -0.561 20 0 CBADLP C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CC[NH+](C)CC1 ZINC000157340607 524818439 /nfs/dbraw/zinc/81/84/39/524818439.db2.gz FOQYSBNQABKDAR-QWRGUYRKSA-N 2 2 268.361 -0.901 20 0 CBADLP C[C@@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CC[NH+](C)CC1 ZINC000157340763 524983791 /nfs/dbraw/zinc/98/37/91/524983791.db2.gz FOQYSBNQABKDAR-MNOVXSKESA-N 2 2 268.361 -0.901 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000342717539 526625909 /nfs/dbraw/zinc/62/59/09/526625909.db2.gz VRTONAIWANHLPD-TZMCWYRMSA-N 2 2 296.415 -0.345 20 0 CBADLP [NH3+]C[C@H](C(=O)N1CC[NH+](CCO)CC1)c1ccccc1 ZINC000061611274 527222348 /nfs/dbraw/zinc/22/23/48/527222348.db2.gz BTUPCRPJQAXFEB-AWEZNQCLSA-N 2 2 277.368 -0.135 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)NCc2c[nH+]cn2C)C1 ZINC000377960199 527728847 /nfs/dbraw/zinc/72/88/47/527728847.db2.gz GDVZEECLXVFBFU-LLVKDONJSA-N 2 2 252.318 -0.243 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)NCc2c[nH+]cn2C)C1 ZINC000377960199 527728852 /nfs/dbraw/zinc/72/88/52/527728852.db2.gz GDVZEECLXVFBFU-LLVKDONJSA-N 2 2 252.318 -0.243 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[NH+]1CCC([NH3+])CC1 ZINC000036754655 528374712 /nfs/dbraw/zinc/37/47/12/528374712.db2.gz NSPGQLHDJSOURD-UHFFFAOYSA-N 2 2 270.377 -0.606 20 0 CBADLP CC(C)[C@@H](CNC(=O)[C@H]1[NH2+]CCO[C@@H]1C)[NH+]1CCOCC1 ZINC000494121851 528460241 /nfs/dbraw/zinc/46/02/41/528460241.db2.gz PKKHMKOVLIDLFD-MCIONIFRSA-N 2 2 299.415 -0.164 20 0 CBADLP CCOCC[N@@H+]1CCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)C[C@H]1C ZINC000377293715 528747078 /nfs/dbraw/zinc/74/70/78/528747078.db2.gz WDIKMDGJUCCDQU-FRRDWIJNSA-N 2 2 285.388 -0.722 20 0 CBADLP CCOCC[N@H+]1CCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)C[C@H]1C ZINC000377293715 528747084 /nfs/dbraw/zinc/74/70/84/528747084.db2.gz WDIKMDGJUCCDQU-FRRDWIJNSA-N 2 2 285.388 -0.722 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H](CC(N)=O)C2)CC1 ZINC000377602666 529132360 /nfs/dbraw/zinc/13/23/60/529132360.db2.gz FWQLKWZUVMMFTO-STQMWFEESA-N 2 2 296.415 -0.264 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H](CC(N)=O)C2)CC1 ZINC000377602666 529132362 /nfs/dbraw/zinc/13/23/62/529132362.db2.gz FWQLKWZUVMMFTO-STQMWFEESA-N 2 2 296.415 -0.264 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H](CO)C2)CC1 ZINC000305234119 529132415 /nfs/dbraw/zinc/13/24/15/529132415.db2.gz ZWQPOUFWZUGPCZ-STQMWFEESA-N 2 2 269.389 -0.147 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H](CO)C2)CC1 ZINC000305234119 529132416 /nfs/dbraw/zinc/13/24/16/529132416.db2.gz ZWQPOUFWZUGPCZ-STQMWFEESA-N 2 2 269.389 -0.147 20 0 CBADLP CC(C)[NH+]1CCC(N2CC[NH+](CC(N)=O)CC2)CC1 ZINC000408360691 535155985 /nfs/dbraw/zinc/15/59/85/535155985.db2.gz XORRBGVMJILZEL-UHFFFAOYSA-N 2 2 268.405 -0.038 20 0 CBADLP CCN(C)C(=O)C[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357653047 535713236 /nfs/dbraw/zinc/71/32/36/535713236.db2.gz WBDLKVRTWIEMNK-UHFFFAOYSA-N 2 2 257.378 -0.147 20 0 CBADLP CCN(C)C(=O)C[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357653047 535713244 /nfs/dbraw/zinc/71/32/44/535713244.db2.gz WBDLKVRTWIEMNK-UHFFFAOYSA-N 2 2 257.378 -0.147 20 0 CBADLP CC[C@@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)C[C@@H]1O ZINC000357610405 535845130 /nfs/dbraw/zinc/84/51/30/535845130.db2.gz NDYIRVNVVKIIMT-NEPJUHHUSA-N 2 2 255.362 -0.537 20 0 CBADLP CC[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)C[C@@H]1O ZINC000357610405 535845135 /nfs/dbraw/zinc/84/51/35/535845135.db2.gz NDYIRVNVVKIIMT-NEPJUHHUSA-N 2 2 255.362 -0.537 20 0 CBADLP CNC(=O)NC(=O)[C@@H](C)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357646931 536324866 /nfs/dbraw/zinc/32/48/66/536324866.db2.gz JEAJGEVYFKFLLZ-SNVBAGLBSA-N 2 2 286.376 -0.781 20 0 CBADLP CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357646931 536324867 /nfs/dbraw/zinc/32/48/67/536324867.db2.gz JEAJGEVYFKFLLZ-SNVBAGLBSA-N 2 2 286.376 -0.781 20 0 CBADLP C[NH2+][C@H](C(=O)NCCC[NH+]1CCOCC1)c1cnn(C)c1 ZINC000357185601 536381992 /nfs/dbraw/zinc/38/19/92/536381992.db2.gz IETNXMSIFBHPDV-ZDUSSCGKSA-N 2 2 295.387 -0.481 20 0 CBADLP COCCCNC(=O)C[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357725274 536557683 /nfs/dbraw/zinc/55/76/83/536557683.db2.gz WGFDZVSFERFRBB-UHFFFAOYSA-N 2 2 287.404 -0.472 20 0 CBADLP COCCCNC(=O)C[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357725274 536557688 /nfs/dbraw/zinc/55/76/88/536557688.db2.gz WGFDZVSFERFRBB-UHFFFAOYSA-N 2 2 287.404 -0.472 20 0 CBADLP CC[NH+](CC)CC[C@H](CO)[NH2+]CCS(C)(=O)=O ZINC000843100650 583201640 /nfs/dbraw/zinc/20/16/40/583201640.db2.gz DWGZRIIYOIMMSY-LLVKDONJSA-N 2 2 266.407 -0.287 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)CC[NH2+]C1CC1 ZINC000037612671 582112578 /nfs/dbraw/zinc/11/25/78/582112578.db2.gz MWMOGIMKDMUKRK-LLVKDONJSA-N 2 2 255.362 -0.035 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C[C@@H]([NH3+])C1CC1 ZINC000123652422 582119542 /nfs/dbraw/zinc/11/95/42/582119542.db2.gz LWAQODGRLKIUIX-CMPLNLGQSA-N 2 2 255.362 -0.049 20 0 CBADLP COCCN(C)CC[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000133978679 582124758 /nfs/dbraw/zinc/12/47/58/582124758.db2.gz AFOPPXHYTYGDGC-STQMWFEESA-N 2 2 259.394 -0.079 20 0 CBADLP COCC[N@H+](C)CCN[C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000133978679 582124759 /nfs/dbraw/zinc/12/47/59/582124759.db2.gz AFOPPXHYTYGDGC-STQMWFEESA-N 2 2 259.394 -0.079 20 0 CBADLP COCC[N@@H+](C)CCN[C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000133978679 582124760 /nfs/dbraw/zinc/12/47/60/582124760.db2.gz AFOPPXHYTYGDGC-STQMWFEESA-N 2 2 259.394 -0.079 20 0 CBADLP COCCS(=O)(=O)CCC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000727830162 582142128 /nfs/dbraw/zinc/14/21/28/582142128.db2.gz JQAXHVIEFRDFFJ-TXEJJXNPSA-N 2 2 276.402 -0.411 20 0 CBADLP COCCS(=O)(=O)CCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000727830162 582142130 /nfs/dbraw/zinc/14/21/30/582142130.db2.gz JQAXHVIEFRDFFJ-TXEJJXNPSA-N 2 2 276.402 -0.411 20 0 CBADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=S)NCC[NH+](C)C ZINC000730155946 582149498 /nfs/dbraw/zinc/14/94/98/582149498.db2.gz DWWJZVAXFVLUJG-GFCCVEGCSA-N 2 2 287.477 -0.352 20 0 CBADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=S)NCC[NH+](C)C ZINC000730155947 582149527 /nfs/dbraw/zinc/14/95/27/582149527.db2.gz DWWJZVAXFVLUJG-LBPRGKRZSA-N 2 2 287.477 -0.352 20 0 CBADLP COCC[NH+]1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000733155644 582161627 /nfs/dbraw/zinc/16/16/27/582161627.db2.gz DBMKGOVMCSKREE-UHFFFAOYSA-N 2 2 285.388 -0.501 20 0 CBADLP CN1CC[C@H]([N@H+](C)C[C@@H](O)C[NH+]2CCCC2)C1=O ZINC000738883101 582262848 /nfs/dbraw/zinc/26/28/48/582262848.db2.gz YEHBGQMHNXCXLR-NEPJUHHUSA-N 2 2 255.362 -0.394 20 0 CBADLP CN1CC[C@H]([N@@H+](C)C[C@@H](O)C[NH+]2CCCC2)C1=O ZINC000738883101 582262849 /nfs/dbraw/zinc/26/28/49/582262849.db2.gz YEHBGQMHNXCXLR-NEPJUHHUSA-N 2 2 255.362 -0.394 20 0 CBADLP C[S@@](=O)CC[NH+]1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000741294660 582268944 /nfs/dbraw/zinc/26/89/44/582268944.db2.gz OQXJINUZPGPOGM-HXUWFJFHSA-N 2 2 298.412 -0.204 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000742247782 582272333 /nfs/dbraw/zinc/27/23/33/582272333.db2.gz YDHCLQBNBGLMMZ-NWDGAFQWSA-N 2 2 264.329 -0.138 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000742247782 582272334 /nfs/dbraw/zinc/27/23/34/582272334.db2.gz YDHCLQBNBGLMMZ-NWDGAFQWSA-N 2 2 264.329 -0.138 20 0 CBADLP C[NH+](C)CCNC(=S)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000746543990 582284992 /nfs/dbraw/zinc/28/49/92/582284992.db2.gz FMTDBZQFLUMPCB-LLVKDONJSA-N 2 2 271.434 -0.988 20 0 CBADLP C[NH+]1CCC(NC(=S)NC[C@H]2C[NH+]3CCN2CC3)CC1 ZINC000746546009 582285044 /nfs/dbraw/zinc/28/50/44/582285044.db2.gz WWYPRXNFZLVRFY-ZDUSSCGKSA-N 2 2 297.472 -0.456 20 0 CBADLP Cc1[nH+]ccn1CCNC(=S)NCC[NH+]1CCOCC1 ZINC000748046026 582287227 /nfs/dbraw/zinc/28/72/27/582287227.db2.gz QSPDYTTXYUJEIV-UHFFFAOYSA-N 2 2 297.428 -0.012 20 0 CBADLP CC[C@@H](CO)[NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000754246577 582298950 /nfs/dbraw/zinc/29/89/50/582298950.db2.gz KTLFRRVDVWWKRZ-LBPRGKRZSA-N 2 2 287.404 -0.426 20 0 CBADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CN2C(=O)C(=O)N(C)C2=O)C1 ZINC000755791878 582302416 /nfs/dbraw/zinc/30/24/16/582302416.db2.gz UITGCIFEGVJOIM-VIFPVBQESA-N 2 2 291.311 -0.413 20 0 CBADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CN2C(=O)C(=O)N(C)C2=O)C1 ZINC000755791878 582302417 /nfs/dbraw/zinc/30/24/17/582302417.db2.gz UITGCIFEGVJOIM-VIFPVBQESA-N 2 2 291.311 -0.413 20 0 CBADLP NC(=O)N[C@H]1CC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000762927135 582318736 /nfs/dbraw/zinc/31/87/36/582318736.db2.gz YPROGZCOSUYGKK-WDEREUQCSA-N 2 2 256.350 -0.814 20 0 CBADLP NC(=O)N[C@H]1CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000762927135 582318737 /nfs/dbraw/zinc/31/87/37/582318737.db2.gz YPROGZCOSUYGKK-WDEREUQCSA-N 2 2 256.350 -0.814 20 0 CBADLP C[NH+](C)C1(C(=O)N2CC[NH+](CCO)CC2)CCC1 ZINC000763004697 582318898 /nfs/dbraw/zinc/31/88/98/582318898.db2.gz WDMGSUNCUTVOQI-UHFFFAOYSA-N 2 2 255.362 -0.393 20 0 CBADLP C[C@@H](O)C[NH+]1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC000763042672 582319209 /nfs/dbraw/zinc/31/92/09/582319209.db2.gz LYMOPOFCNDVQHJ-GFCCVEGCSA-N 2 2 269.389 -0.004 20 0 CBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C1([NH+](C)C)CCC1 ZINC000763067410 582319436 /nfs/dbraw/zinc/31/94/36/582319436.db2.gz GRKJUCZANJPIIR-ZDUSSCGKSA-N 2 2 299.415 -0.378 20 0 CBADLP C[NH+](C)CC(=O)N1CC[NH+](C[C@H]2CC3(CC3)C(=O)O2)CC1 ZINC000763660522 582320496 /nfs/dbraw/zinc/32/04/96/582320496.db2.gz MKHFCCLHWPVFMB-GFCCVEGCSA-N 2 2 295.383 -0.212 20 0 CBADLP C[N@H+]1CCC[C@@H]2C[NH+](CCS(N)(=O)=O)CC[C@H]21 ZINC000766124650 582329771 /nfs/dbraw/zinc/32/97/71/582329771.db2.gz ZUGLORQYVVSQFX-GHMZBOCLSA-N 2 2 261.391 -0.309 20 0 CBADLP C[NH+]1CCC[C@@H]2C[N@H+](CCS(N)(=O)=O)CC[C@H]21 ZINC000766124650 582329772 /nfs/dbraw/zinc/32/97/72/582329772.db2.gz ZUGLORQYVVSQFX-GHMZBOCLSA-N 2 2 261.391 -0.309 20 0 CBADLP C[N@@H+]1CCC[C@@H]2C[NH+](CCS(N)(=O)=O)CC[C@H]21 ZINC000766124650 582329770 /nfs/dbraw/zinc/32/97/70/582329770.db2.gz ZUGLORQYVVSQFX-GHMZBOCLSA-N 2 2 261.391 -0.309 20 0 CBADLP COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)C[N@H+](C)C(C)C ZINC000779568089 582361941 /nfs/dbraw/zinc/36/19/41/582361941.db2.gz XSDHHGANPNVMNU-LLVKDONJSA-N 2 2 282.344 -0.119 20 0 CBADLP COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)C[N@@H+](C)C(C)C ZINC000779568089 582361942 /nfs/dbraw/zinc/36/19/42/582361942.db2.gz XSDHHGANPNVMNU-LLVKDONJSA-N 2 2 282.344 -0.119 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCCN(C=O)CC2)CC1 ZINC000781559309 582366114 /nfs/dbraw/zinc/36/61/14/582366114.db2.gz IQFHJOFHUJJESN-CQSZACIVSA-N 2 2 296.415 -0.297 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCCN(C=O)CC2)CC1 ZINC000781559309 582366115 /nfs/dbraw/zinc/36/61/15/582366115.db2.gz IQFHJOFHUJJESN-CQSZACIVSA-N 2 2 296.415 -0.297 20 0 CBADLP C[NH+](C)CC(=O)N1CC[NH+](C[C@@H](O)C2CC2)CC1 ZINC000785415524 582375910 /nfs/dbraw/zinc/37/59/10/582375910.db2.gz IHVGLZHAZZGNMN-GFCCVEGCSA-N 2 2 255.362 -0.537 20 0 CBADLP O=C1CC[C@H]([N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)C(=O)N1 ZINC000800479056 582422827 /nfs/dbraw/zinc/42/28/27/582422827.db2.gz VWOMKCAZBDJITA-STQMWFEESA-N 2 2 295.383 -0.164 20 0 CBADLP O=C1CC[C@H]([N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)C(=O)N1 ZINC000800479056 582422828 /nfs/dbraw/zinc/42/28/28/582422828.db2.gz VWOMKCAZBDJITA-STQMWFEESA-N 2 2 295.383 -0.164 20 0 CBADLP O=C1CC[C@@H]([N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)C(=O)N1 ZINC000801570797 582424812 /nfs/dbraw/zinc/42/48/12/582424812.db2.gz VWOMKCAZBDJITA-CHWSQXEVSA-N 2 2 295.383 -0.164 20 0 CBADLP O=C1CC[C@@H]([N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)C(=O)N1 ZINC000801570797 582424813 /nfs/dbraw/zinc/42/48/13/582424813.db2.gz VWOMKCAZBDJITA-CHWSQXEVSA-N 2 2 295.383 -0.164 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000806696314 582437580 /nfs/dbraw/zinc/43/75/80/582437580.db2.gz BEFQTCYYOZMTKA-YPMHNXCESA-N 2 2 278.356 -0.058 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000806696314 582437581 /nfs/dbraw/zinc/43/75/81/582437581.db2.gz BEFQTCYYOZMTKA-YPMHNXCESA-N 2 2 278.356 -0.058 20 0 CBADLP C[NH+](C)C[C@H](CO)NC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000808172478 582441875 /nfs/dbraw/zinc/44/18/75/582441875.db2.gz SQQJODWBJXKDRJ-GFCCVEGCSA-N 2 2 289.339 -0.080 20 0 CBADLP C[N@H+](C[C@H](O)C[NH2+]C1(C(N)=O)CCCC1)C1CC1 ZINC000809963549 582447467 /nfs/dbraw/zinc/44/74/67/582447467.db2.gz RKKAPDACSLCHLX-LLVKDONJSA-N 2 2 255.362 -0.171 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH2+]C1(C(N)=O)CCCC1)C1CC1 ZINC000809963549 582447468 /nfs/dbraw/zinc/44/74/68/582447468.db2.gz RKKAPDACSLCHLX-LLVKDONJSA-N 2 2 255.362 -0.171 20 0 CBADLP C[C@H]([NH2+]CCS(=O)(=O)N1CCOCC1)[C@H]1CCC[NH2+]1 ZINC000817908681 582496423 /nfs/dbraw/zinc/49/64/23/582496423.db2.gz HMQNOQSZWKTWOW-NWDGAFQWSA-N 2 2 291.417 -0.622 20 0 CBADLP CC(C)[C@H](C[NH2+]CCS(C)(=O)=O)N1CC[NH+](C)CC1 ZINC000819059433 582525470 /nfs/dbraw/zinc/52/54/70/582525470.db2.gz BTMQVALEJZEXON-ZDUSSCGKSA-N 2 2 291.461 -0.107 20 0 CBADLP CON(C)C(=O)CC[NH2+]C[C@@H](C)C[NH+]1CCOCC1 ZINC000819088812 582526378 /nfs/dbraw/zinc/52/63/78/582526378.db2.gz FSEQEZPQPGWYCS-GFCCVEGCSA-N 2 2 273.377 -0.046 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@@H]3CC[C@H]3O)C2)CC1 ZINC000824331705 582693941 /nfs/dbraw/zinc/69/39/41/582693941.db2.gz MUPWQSZGWLXMFZ-MRVWCRGKSA-N 2 2 296.415 -0.023 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N[C@@H]3CC[C@H]3O)C2)CC1 ZINC000824331705 582693944 /nfs/dbraw/zinc/69/39/44/582693944.db2.gz MUPWQSZGWLXMFZ-MRVWCRGKSA-N 2 2 296.415 -0.023 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@@H]3CC[C@H]3O)C2)CC1 ZINC000824331704 582694078 /nfs/dbraw/zinc/69/40/78/582694078.db2.gz MUPWQSZGWLXMFZ-IACUBPJLSA-N 2 2 296.415 -0.023 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@@H]3CC[C@H]3O)C2)CC1 ZINC000824331704 582694081 /nfs/dbraw/zinc/69/40/81/582694081.db2.gz MUPWQSZGWLXMFZ-IACUBPJLSA-N 2 2 296.415 -0.023 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc(=O)cc[nH]1 ZINC000824957767 582716494 /nfs/dbraw/zinc/71/64/94/582716494.db2.gz PHQDAJYOMNZVJH-UHFFFAOYSA-N 2 2 280.372 -0.012 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc(=O)cc[nH]1 ZINC000824957767 582716496 /nfs/dbraw/zinc/71/64/96/582716496.db2.gz PHQDAJYOMNZVJH-UHFFFAOYSA-N 2 2 280.372 -0.012 20 0 CBADLP CCn1cc(CC(=O)NCC[N@H+](C)CCC[NH+](C)C)nn1 ZINC000824957155 582716532 /nfs/dbraw/zinc/71/65/32/582716532.db2.gz LHAXEHOOQTWRCW-UHFFFAOYSA-N 2 2 296.419 -0.160 20 0 CBADLP CCn1cc(CC(=O)NCC[N@@H+](C)CCC[NH+](C)C)nn1 ZINC000824957155 582716534 /nfs/dbraw/zinc/71/65/34/582716534.db2.gz LHAXEHOOQTWRCW-UHFFFAOYSA-N 2 2 296.419 -0.160 20 0 CBADLP CN(CC[N@H+](C)CCO)C(=O)/C=C/c1cn(C)c[nH+]1 ZINC000825526222 582738805 /nfs/dbraw/zinc/73/88/05/582738805.db2.gz FOUKWQQGGCNVKI-SNAWJCMRSA-N 2 2 266.345 -0.184 20 0 CBADLP CN(CC[N@@H+](C)CCO)C(=O)/C=C/c1cn(C)c[nH+]1 ZINC000825526222 582738808 /nfs/dbraw/zinc/73/88/08/582738808.db2.gz FOUKWQQGGCNVKI-SNAWJCMRSA-N 2 2 266.345 -0.184 20 0 CBADLP c1cc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc(-c2nn[nH]n2)n1 ZINC000826515937 582779634 /nfs/dbraw/zinc/77/96/34/582779634.db2.gz QIGQSNJGFGSHHN-GHMZBOCLSA-N 2 2 271.328 -0.087 20 0 CBADLP C[NH+]1CCC(OCC(=O)N2CC[N@H+](C)C[C@H]2CO)CC1 ZINC000826708056 582787075 /nfs/dbraw/zinc/78/70/75/582787075.db2.gz ROMUZKOBKDZBTD-LBPRGKRZSA-N 2 2 285.388 -0.768 20 0 CBADLP C[NH+]1CCC(OCC(=O)N2CC[N@@H+](C)C[C@H]2CO)CC1 ZINC000826708056 582787077 /nfs/dbraw/zinc/78/70/77/582787077.db2.gz ROMUZKOBKDZBTD-LBPRGKRZSA-N 2 2 285.388 -0.768 20 0 CBADLP O=C(NCc1ccnc(-n2cc[nH+]c2)c1)[C@@H]1C[NH2+]CCO1 ZINC000827464152 582817341 /nfs/dbraw/zinc/81/73/41/582817341.db2.gz VEEXGOUGZPJWHX-LBPRGKRZSA-N 2 2 287.323 -0.128 20 0 CBADLP C[NH+]1CCC(OCC(=O)N2CC[N@H+](C)[C@@H](CO)C2)CC1 ZINC000827983890 582838695 /nfs/dbraw/zinc/83/86/95/582838695.db2.gz WRXWGPKOQOHUEN-GFCCVEGCSA-N 2 2 285.388 -0.768 20 0 CBADLP C[NH+]1CCC(OCC(=O)N2CC[N@@H+](C)[C@@H](CO)C2)CC1 ZINC000827983890 582838697 /nfs/dbraw/zinc/83/86/97/582838697.db2.gz WRXWGPKOQOHUEN-GFCCVEGCSA-N 2 2 285.388 -0.768 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000828415796 582854893 /nfs/dbraw/zinc/85/48/93/582854893.db2.gz XHIRUJAFEATRLH-GFCCVEGCSA-N 2 2 259.325 -0.521 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000828714850 582871388 /nfs/dbraw/zinc/87/13/88/582871388.db2.gz FZJBKLDVZXLUCF-CMPLNLGQSA-N 2 2 259.325 -0.475 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000828714850 582871392 /nfs/dbraw/zinc/87/13/92/582871392.db2.gz FZJBKLDVZXLUCF-CMPLNLGQSA-N 2 2 259.325 -0.475 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3C[C@@H]3[NH3+])C2)CC1 ZINC000829484719 582888146 /nfs/dbraw/zinc/88/81/46/582888146.db2.gz WSNQWRCLQJMKFR-UHTWSYAYSA-N 3 2 266.389 -0.382 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3C[C@@H]3[NH3+])C2)CC1 ZINC000829484719 582888147 /nfs/dbraw/zinc/88/81/47/582888147.db2.gz WSNQWRCLQJMKFR-UHTWSYAYSA-N 3 2 266.389 -0.382 20 0 CBADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H]2CCCN2C=O)CC1 ZINC000829672261 582894046 /nfs/dbraw/zinc/89/40/46/582894046.db2.gz CPLJJGMNRYVQCC-AWEZNQCLSA-N 2 2 296.415 -0.251 20 0 CBADLP C[C@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H]1C[N@H+](C)CCO1 ZINC000830628502 582936240 /nfs/dbraw/zinc/93/62/40/582936240.db2.gz SAJOPQCGSVIZTM-VHSXEESVSA-N 2 2 252.318 -0.213 20 0 CBADLP C[C@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H]1C[N@@H+](C)CCO1 ZINC000830628502 582936243 /nfs/dbraw/zinc/93/62/43/582936243.db2.gz SAJOPQCGSVIZTM-VHSXEESVSA-N 2 2 252.318 -0.213 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](O)C[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000830896315 582943522 /nfs/dbraw/zinc/94/35/22/582943522.db2.gz IAALKXSPFNEZCM-JHJVBQTASA-N 2 2 286.372 -0.701 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000830896315 582943525 /nfs/dbraw/zinc/94/35/25/582943525.db2.gz IAALKXSPFNEZCM-JHJVBQTASA-N 2 2 286.372 -0.701 20 0 CBADLP CCO[C@@H](CNC(=O)/C=C/C[NH+]1CCOCC1)C[NH+](C)C ZINC000831718361 582998303 /nfs/dbraw/zinc/99/83/03/582998303.db2.gz KZNGDUKZPXGYRK-GJBLVYBDSA-N 2 2 299.415 -0.042 20 0 CBADLP C[C@H]1CCC[N@@H+]1CCNC(=O)CN1CC[NH2+]CC1=O ZINC000831971138 583009420 /nfs/dbraw/zinc/00/94/20/583009420.db2.gz SQKUDBMFVPSDNF-NSHDSACASA-N 2 2 268.361 -0.981 20 0 CBADLP C[C@H]1CCC[N@H+]1CCNC(=O)CN1CC[NH2+]CC1=O ZINC000831971138 583009422 /nfs/dbraw/zinc/00/94/22/583009422.db2.gz SQKUDBMFVPSDNF-NSHDSACASA-N 2 2 268.361 -0.981 20 0 CBADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC000832486454 583027033 /nfs/dbraw/zinc/02/70/33/583027033.db2.gz UKFTWVUKSOMRQF-GHMZBOCLSA-N 2 2 266.345 -0.134 20 0 CBADLP C[C@@H](O)C[N@H+]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC000832486454 583027036 /nfs/dbraw/zinc/02/70/36/583027036.db2.gz UKFTWVUKSOMRQF-GHMZBOCLSA-N 2 2 266.345 -0.134 20 0 CBADLP C[NH2+][C@@H]1CCCN(C(=O)c2n[nH]c3c2C[NH2+]CC3)C1 ZINC000832554724 583029939 /nfs/dbraw/zinc/02/99/39/583029939.db2.gz RAVVPAAZMZPYJB-SECBINFHSA-N 2 2 263.345 -0.121 20 0 CBADLP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H](C)[N@H+]1CCO ZINC000836865961 583143054 /nfs/dbraw/zinc/14/30/54/583143054.db2.gz RLDJRVHOCMJAIY-OKILXGFUSA-N 2 2 299.415 -0.378 20 0 CBADLP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H](C)[N@@H+]1CCO ZINC000836865961 583143057 /nfs/dbraw/zinc/14/30/57/583143057.db2.gz RLDJRVHOCMJAIY-OKILXGFUSA-N 2 2 299.415 -0.378 20 0 CBADLP O=C(CC[NH+]1CCOCC1)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000836865151 583143099 /nfs/dbraw/zinc/14/30/99/583143099.db2.gz AIHCICPOJKBNTG-OKILXGFUSA-N 2 2 297.399 -0.312 20 0 CBADLP O=C(CC[NH+]1CCOCC1)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000836865151 583143100 /nfs/dbraw/zinc/14/31/00/583143100.db2.gz AIHCICPOJKBNTG-OKILXGFUSA-N 2 2 297.399 -0.312 20 0 CBADLP C[C@@H](CNC(=O)NCC[N@@H+]1CCO[C@@H](C)C1)[NH+](C)C ZINC000838112496 583148839 /nfs/dbraw/zinc/14/88/39/583148839.db2.gz AZFLDOSTWVQKAH-RYUDHWBXSA-N 2 2 272.393 -0.044 20 0 CBADLP C[C@@H](CNC(=O)NCC[N@H+]1CCO[C@@H](C)C1)[NH+](C)C ZINC000838112496 583148841 /nfs/dbraw/zinc/14/88/41/583148841.db2.gz AZFLDOSTWVQKAH-RYUDHWBXSA-N 2 2 272.393 -0.044 20 0 CBADLP C[N@@H+]1CCN(C(=O)NCCOc2cccnc2)[C@H](C[NH3+])C1 ZINC000841821204 583174796 /nfs/dbraw/zinc/17/47/96/583174796.db2.gz YRLADKDNLXGWHE-GFCCVEGCSA-N 2 2 293.371 -0.255 20 0 CBADLP C[N@H+]1CCN(C(=O)NCCOc2cccnc2)[C@H](C[NH3+])C1 ZINC000841821204 583174797 /nfs/dbraw/zinc/17/47/97/583174797.db2.gz YRLADKDNLXGWHE-GFCCVEGCSA-N 2 2 293.371 -0.255 20 0 CBADLP C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000842201792 583181486 /nfs/dbraw/zinc/18/14/86/583181486.db2.gz CGNBSLSEMVNYQB-GXFFZTMASA-N 2 2 290.367 -0.247 20 0 CBADLP C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000842201792 583181488 /nfs/dbraw/zinc/18/14/88/583181488.db2.gz CGNBSLSEMVNYQB-GXFFZTMASA-N 2 2 290.367 -0.247 20 0 CBADLP CC(C)C[NH+]1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000843054816 583198786 /nfs/dbraw/zinc/19/87/86/583198786.db2.gz JDBJGLFZKYCRAK-UHFFFAOYSA-N 2 2 261.391 -0.438 20 0 CBADLP CON(C)C(=O)CC[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000843089741 583201070 /nfs/dbraw/zinc/20/10/70/583201070.db2.gz RYYDGULHZWXUNW-GFCCVEGCSA-N 2 2 273.377 -0.167 20 0 CBADLP CON(C)C(=O)CC[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000843089741 583201071 /nfs/dbraw/zinc/20/10/71/583201071.db2.gz RYYDGULHZWXUNW-GFCCVEGCSA-N 2 2 273.377 -0.167 20 0 CBADLP CCOC(=O)C1=C(C[N@@H+]2CC[C@@H](C[NH3+])C2)NC(=O)N[C@@H]1C ZINC000843348435 583211790 /nfs/dbraw/zinc/21/17/90/583211790.db2.gz NPAFLFSVAOXEOD-ZJUUUORDSA-N 2 2 296.371 -0.215 20 0 CBADLP CCOC(=O)C1=C(C[N@H+]2CC[C@@H](C[NH3+])C2)NC(=O)N[C@@H]1C ZINC000843348435 583211792 /nfs/dbraw/zinc/21/17/92/583211792.db2.gz NPAFLFSVAOXEOD-ZJUUUORDSA-N 2 2 296.371 -0.215 20 0 CBADLP CC[NH2+]CC(=O)N1CC[N@H+](CCC(=O)OC)[C@H](C)C1 ZINC000843495013 583229166 /nfs/dbraw/zinc/22/91/66/583229166.db2.gz NSJZXRRCNPJREX-LLVKDONJSA-N 2 2 271.361 -0.308 20 0 CBADLP CC[NH2+]CC(=O)N1CC[N@@H+](CCC(=O)OC)[C@H](C)C1 ZINC000843495013 583229167 /nfs/dbraw/zinc/22/91/67/583229167.db2.gz NSJZXRRCNPJREX-LLVKDONJSA-N 2 2 271.361 -0.308 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000844170117 583256144 /nfs/dbraw/zinc/25/61/44/583256144.db2.gz FZYPXILRPITXRR-CHWSQXEVSA-N 2 2 285.388 -0.408 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)C[C@H]([NH3+])C2CC2)CCO1 ZINC000844178553 583257312 /nfs/dbraw/zinc/25/73/12/583257312.db2.gz AYOHUWGYWFGAEL-JQWIXIFHSA-N 2 2 255.362 -0.049 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)C[C@H]([NH3+])C2CC2)CCO1 ZINC000844178553 583257315 /nfs/dbraw/zinc/25/73/15/583257315.db2.gz AYOHUWGYWFGAEL-JQWIXIFHSA-N 2 2 255.362 -0.049 20 0 CBADLP CC[NH2+]CC(=O)N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC000844189505 583259834 /nfs/dbraw/zinc/25/98/34/583259834.db2.gz OYBVZLQHMAFXFW-CYBMUJFWSA-N 2 2 296.415 -0.249 20 0 CBADLP COC[C@H]1C[C@@H](O)C[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000844401250 583269865 /nfs/dbraw/zinc/26/98/65/583269865.db2.gz HYKHQPVSUVACDU-JHJVBQTASA-N 2 2 258.362 -0.475 20 0 CBADLP COC[C@H]1C[C@@H](O)C[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000844401250 583269868 /nfs/dbraw/zinc/26/98/68/583269868.db2.gz HYKHQPVSUVACDU-JHJVBQTASA-N 2 2 258.362 -0.475 20 0 CBADLP CCO[C@@H]1CN(C(=O)NCc2c[nH+]cn2C)C[C@H]1C[NH3+] ZINC000846163480 583354595 /nfs/dbraw/zinc/35/45/95/583354595.db2.gz AROPGFODNIDWRH-ZYHUDNBSSA-N 2 2 281.360 -0.075 20 0 CBADLP COC(=O)C[C@@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)C1CC1 ZINC000846671644 583382051 /nfs/dbraw/zinc/38/20/51/583382051.db2.gz DNQGFVUIAABQAM-GHMZBOCLSA-N 2 2 271.361 -0.277 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000846678663 583382542 /nfs/dbraw/zinc/38/25/42/583382542.db2.gz NBTVQWQYHBQFKA-RKDXNWHRSA-N 3 2 264.320 -0.669 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000846678661 583382566 /nfs/dbraw/zinc/38/25/66/583382566.db2.gz NBTVQWQYHBQFKA-DTWKUNHWSA-N 3 2 264.320 -0.669 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCOC(=O)C1CC1 ZINC000846716577 583385740 /nfs/dbraw/zinc/38/57/40/583385740.db2.gz CVOIEQPZJMKDJZ-JTQLQIEISA-N 2 2 257.334 -0.665 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC(c2nnc[nH]2)CC1 ZINC000846813983 583388218 /nfs/dbraw/zinc/38/82/18/583388218.db2.gz MPKSNCXDSODSBE-CYBMUJFWSA-N 2 2 297.403 -0.077 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(c2nnc[nH]2)CC1 ZINC000846813983 583388220 /nfs/dbraw/zinc/38/82/20/583388220.db2.gz MPKSNCXDSODSBE-CYBMUJFWSA-N 2 2 297.403 -0.077 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H]2[C@H](C(=O)OC)[C@H]2C1 ZINC000846919930 583392958 /nfs/dbraw/zinc/39/29/58/583392958.db2.gz SXFMUPFCFKQGLO-NNYUYHANSA-N 2 2 256.346 -0.350 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H]2[C@H](C(=O)OC)[C@H]2C1 ZINC000846919930 583392961 /nfs/dbraw/zinc/39/29/61/583392961.db2.gz SXFMUPFCFKQGLO-NNYUYHANSA-N 2 2 256.346 -0.350 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H]2[C@H](C(=O)OC)[C@H]2C1 ZINC000846919930 583392964 /nfs/dbraw/zinc/39/29/64/583392964.db2.gz SXFMUPFCFKQGLO-NNYUYHANSA-N 2 2 256.346 -0.350 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H]2[C@H](C(=O)OC)[C@H]2C1 ZINC000846919930 583392966 /nfs/dbraw/zinc/39/29/66/583392966.db2.gz SXFMUPFCFKQGLO-NNYUYHANSA-N 2 2 256.346 -0.350 20 0 CBADLP C[C@@H]1C[NH+]=C(NCC2([NH+]3CCOCC3)CCOCC2)N1 ZINC000849040062 583471127 /nfs/dbraw/zinc/47/11/27/583471127.db2.gz INRHJDUVDMMAQM-GFCCVEGCSA-N 2 2 282.388 -0.195 20 0 CBADLP CN1CC[NH+]=C1NCC1([NH+]2CCOCC2)CCOCC1 ZINC000849040451 583471184 /nfs/dbraw/zinc/47/11/84/583471184.db2.gz VSOZRTCQUAQYJJ-UHFFFAOYSA-N 2 2 282.388 -0.241 20 0 CBADLP C[C@@H](C[NH3+])NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000850827006 583505547 /nfs/dbraw/zinc/50/55/47/583505547.db2.gz LJSTXOACJPSHGN-QMMMGPOBSA-N 2 2 261.285 -0.264 20 0 CBADLP C[NH+](C)CC(=O)N1CC[NH+](C[C@H](O)c2ccccn2)CC1 ZINC000851726576 583523763 /nfs/dbraw/zinc/52/37/63/583523763.db2.gz SMWLXAZZNCNOJZ-AWEZNQCLSA-N 2 2 292.383 -0.179 20 0 CBADLP O=C(C[NH+]1CCCC1)N1CC[NH+](C[C@@H]2CCC(=O)O2)CC1 ZINC000851750959 583524911 /nfs/dbraw/zinc/52/49/11/583524911.db2.gz MRRXVNGPEFZVAS-ZDUSSCGKSA-N 2 2 295.383 -0.068 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852443881 583547055 /nfs/dbraw/zinc/54/70/55/583547055.db2.gz QUELMLDAKFUQHF-VXGBXAGGSA-N 2 2 271.361 -0.175 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852443881 583547056 /nfs/dbraw/zinc/54/70/56/583547056.db2.gz QUELMLDAKFUQHF-VXGBXAGGSA-N 2 2 271.361 -0.175 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852443881 583547057 /nfs/dbraw/zinc/54/70/57/583547057.db2.gz QUELMLDAKFUQHF-VXGBXAGGSA-N 2 2 271.361 -0.175 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852443881 583547058 /nfs/dbraw/zinc/54/70/58/583547058.db2.gz QUELMLDAKFUQHF-VXGBXAGGSA-N 2 2 271.361 -0.175 20 0 CBADLP C[NH+](C)CCC[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)CCO1 ZINC000852761750 583552246 /nfs/dbraw/zinc/55/22/46/583552246.db2.gz ZSEOBXPZCWWNLU-NEPJUHHUSA-N 2 2 283.372 -0.166 20 0 CBADLP C[NH+](C)CCC[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)CCO1 ZINC000852761750 583552247 /nfs/dbraw/zinc/55/22/47/583552247.db2.gz ZSEOBXPZCWWNLU-NEPJUHHUSA-N 2 2 283.372 -0.166 20 0 CBADLP C[NH+](C)CCC[C@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)CCO1 ZINC000852761751 583552250 /nfs/dbraw/zinc/55/22/50/583552250.db2.gz ZSEOBXPZCWWNLU-NWDGAFQWSA-N 2 2 283.372 -0.166 20 0 CBADLP C[NH+](C)CCC[C@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)CCO1 ZINC000852761751 583552251 /nfs/dbraw/zinc/55/22/51/583552251.db2.gz ZSEOBXPZCWWNLU-NWDGAFQWSA-N 2 2 283.372 -0.166 20 0 CBADLP C[N@@H+]1CCN(C(=O)/C=C/c2ccc(C(N)=O)o2)[C@H](C[NH3+])C1 ZINC000852798071 583553289 /nfs/dbraw/zinc/55/32/89/583553289.db2.gz FJIUAIMAZFIXLQ-RXNUUUNCSA-N 2 2 292.339 -0.507 20 0 CBADLP C[N@H+]1CCN(C(=O)/C=C/c2ccc(C(N)=O)o2)[C@H](C[NH3+])C1 ZINC000852798071 583553290 /nfs/dbraw/zinc/55/32/90/583553290.db2.gz FJIUAIMAZFIXLQ-RXNUUUNCSA-N 2 2 292.339 -0.507 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@]2(F)CC[NH2+]C2)[C@H](C)CO1 ZINC000852847534 583560251 /nfs/dbraw/zinc/56/02/51/583560251.db2.gz SWEBJBBYQUKUTD-NQBHXWOUSA-N 2 2 273.352 -0.087 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@]2(F)CC[NH2+]C2)[C@H](C)CO1 ZINC000852847534 583560253 /nfs/dbraw/zinc/56/02/53/583560253.db2.gz SWEBJBBYQUKUTD-NQBHXWOUSA-N 2 2 273.352 -0.087 20 0 CBADLP CC1(C)COCC[N@@H+]1CCNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852865995 583564404 /nfs/dbraw/zinc/56/44/04/583564404.db2.gz QTHZTBHOGFFESE-SNVBAGLBSA-N 2 2 284.360 -0.683 20 0 CBADLP CC1(C)COCC[N@H+]1CCNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852865995 583564406 /nfs/dbraw/zinc/56/44/06/583564406.db2.gz QTHZTBHOGFFESE-SNVBAGLBSA-N 2 2 284.360 -0.683 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)C2=NO[C@@H](C[NH3+])C2)[C@H](C)CO1 ZINC000852903116 583572573 /nfs/dbraw/zinc/57/25/73/583572573.db2.gz VNUAUVNDVYCEFY-GMTAPVOTSA-N 2 2 284.360 -0.685 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)C2=NO[C@@H](C[NH3+])C2)[C@H](C)CO1 ZINC000852903116 583572574 /nfs/dbraw/zinc/57/25/74/583572574.db2.gz VNUAUVNDVYCEFY-GMTAPVOTSA-N 2 2 284.360 -0.685 20 0 CBADLP [NH3+]C[C@H]1CC(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)=NO1 ZINC000852906745 583573356 /nfs/dbraw/zinc/57/33/56/583573356.db2.gz QHUONFVQZZOLPS-GHMZBOCLSA-N 2 2 282.344 -0.977 20 0 CBADLP O=C(CC[NH+]1CCOCC1)N1CC(C[NH+]2CCOCC2)C1 ZINC000854590491 583609600 /nfs/dbraw/zinc/60/96/00/583609600.db2.gz YHZZODHTYNVJME-UHFFFAOYSA-N 2 2 297.399 -0.501 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H]1CCC[N@H+]1CCCO ZINC000854689203 583616483 /nfs/dbraw/zinc/61/64/83/583616483.db2.gz AODIIQLMMQQTNG-LLVKDONJSA-N 2 2 266.345 -0.085 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H]1CCC[N@@H+]1CCCO ZINC000854689203 583616485 /nfs/dbraw/zinc/61/64/85/583616485.db2.gz AODIIQLMMQQTNG-LLVKDONJSA-N 2 2 266.345 -0.085 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)CC[NH+]2CCOCC2)[C@@H](C)CO1 ZINC000855409895 583638163 /nfs/dbraw/zinc/63/81/63/583638163.db2.gz HGJFFTGLPXPRHV-KBPBESRZSA-N 2 2 299.415 -0.066 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)CC[NH+]2CCOCC2)[C@@H](C)CO1 ZINC000855409895 583638166 /nfs/dbraw/zinc/63/81/66/583638166.db2.gz HGJFFTGLPXPRHV-KBPBESRZSA-N 2 2 299.415 -0.066 20 0 CBADLP Cn1cc([C@@H](O)C(=O)NCC[N@H+](C)CCC[NH+](C)C)cn1 ZINC000855414965 583638659 /nfs/dbraw/zinc/63/86/59/583638659.db2.gz OARYHWWZCPHRSL-CYBMUJFWSA-N 2 2 297.403 -0.547 20 0 CBADLP Cn1cc([C@@H](O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cn1 ZINC000855414965 583638661 /nfs/dbraw/zinc/63/86/61/583638661.db2.gz OARYHWWZCPHRSL-CYBMUJFWSA-N 2 2 297.403 -0.547 20 0 CBADLP CC[NH2+]CC(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000856776645 583660755 /nfs/dbraw/zinc/66/07/55/583660755.db2.gz HGBWROMXABUPNJ-LLVKDONJSA-N 2 2 282.388 -0.593 20 0 CBADLP CCn1ncc(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)n1 ZINC000857084463 583663691 /nfs/dbraw/zinc/66/36/91/583663691.db2.gz SXLCTVIMILXKFQ-NSHDSACASA-N 2 2 280.376 -0.415 20 0 CBADLP CCn1ncc(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)n1 ZINC000857084463 583663694 /nfs/dbraw/zinc/66/36/94/583663694.db2.gz SXLCTVIMILXKFQ-NSHDSACASA-N 2 2 280.376 -0.415 20 0 CBADLP CNC(=O)C[NH+]1CCN(c2cc[nH+]c(CO)c2)CC1 ZINC000858322271 583691255 /nfs/dbraw/zinc/69/12/55/583691255.db2.gz SKNYNFYTXQQUAR-UHFFFAOYSA-N 2 2 264.329 -0.558 20 0 CBADLP O=C1C[C@H](C[NH+]2CCC([NH+]3CCOCC3)CC2)CN1 ZINC000859356602 583715901 /nfs/dbraw/zinc/71/59/01/583715901.db2.gz UIHGDLQELIYRLR-LBPRGKRZSA-N 2 2 267.373 -0.081 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860167920 583740713 /nfs/dbraw/zinc/74/07/13/583740713.db2.gz NASNIDPHPCSJED-IJLUTSLNSA-N 2 2 272.345 -0.970 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860167920 583740714 /nfs/dbraw/zinc/74/07/14/583740714.db2.gz NASNIDPHPCSJED-IJLUTSLNSA-N 2 2 272.345 -0.970 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860167920 583740717 /nfs/dbraw/zinc/74/07/17/583740717.db2.gz NASNIDPHPCSJED-IJLUTSLNSA-N 2 2 272.345 -0.970 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860167920 583740720 /nfs/dbraw/zinc/74/07/20/583740720.db2.gz NASNIDPHPCSJED-IJLUTSLNSA-N 2 2 272.345 -0.970 20 0 CBADLP C[C@@H]([NH3+])CN(C)C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000861573345 583771299 /nfs/dbraw/zinc/77/12/99/583771299.db2.gz GCBZTTDSRKBTEE-NEPJUHHUSA-N 2 2 271.409 -0.389 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000861680536 583777354 /nfs/dbraw/zinc/77/73/54/583777354.db2.gz FEWOCNNNJIMZQY-UTUOFQBUSA-N 2 2 268.361 -0.680 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000861680536 583777357 /nfs/dbraw/zinc/77/73/57/583777357.db2.gz FEWOCNNNJIMZQY-UTUOFQBUSA-N 2 2 268.361 -0.680 20 0 CBADLP C[NH+](C)C1(C(=O)NC[C@@H]2COCC[N@@H+]2C)CCC1 ZINC000862968848 583828690 /nfs/dbraw/zinc/82/86/90/583828690.db2.gz FOSYYNUXDAKCRJ-LLVKDONJSA-N 2 2 255.362 -0.083 20 0 CBADLP C[NH+](C)C1(C(=O)NC[C@@H]2COCC[N@H+]2C)CCC1 ZINC000862968848 583828692 /nfs/dbraw/zinc/82/86/92/583828692.db2.gz FOSYYNUXDAKCRJ-LLVKDONJSA-N 2 2 255.362 -0.083 20 0 CBADLP CON(C)C(=O)[C@@H](C)[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000863548717 583846078 /nfs/dbraw/zinc/84/60/78/583846078.db2.gz SBQOFVFORRVRQF-AXFHLTTASA-N 2 2 259.350 -0.249 20 0 CBADLP CON(C)C(=O)[C@H](C)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000863587609 583847933 /nfs/dbraw/zinc/84/79/33/583847933.db2.gz QDYXWQLFCUYUKX-ONGXEEELSA-N 2 2 259.350 -0.561 20 0 CBADLP CON(C)C(=O)[C@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000863587609 583847935 /nfs/dbraw/zinc/84/79/35/583847935.db2.gz QDYXWQLFCUYUKX-ONGXEEELSA-N 2 2 259.350 -0.561 20 0 CBADLP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000863764388 583854696 /nfs/dbraw/zinc/85/46/96/583854696.db2.gz CIGWOBXNXFVEPN-LLVKDONJSA-N 2 2 281.360 -0.463 20 0 CBADLP C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000864056587 583866547 /nfs/dbraw/zinc/86/65/47/583866547.db2.gz FZBDJYNNDLYICC-FXPVBKGRSA-N 2 2 252.318 -0.006 20 0 CBADLP C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000864056587 583866548 /nfs/dbraw/zinc/86/65/48/583866548.db2.gz FZBDJYNNDLYICC-FXPVBKGRSA-N 2 2 252.318 -0.006 20 0 CBADLP CC(C)[NH+]1CCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)CC1 ZINC000864803299 583889080 /nfs/dbraw/zinc/88/90/80/583889080.db2.gz ZXOHLQPFXRWIEH-LLVKDONJSA-N 2 2 252.318 -0.004 20 0 CBADLP CN(CC[NH+]1CCCC1)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000865159539 583898752 /nfs/dbraw/zinc/89/87/52/583898752.db2.gz NKWQAGUJGYTPAR-LLVKDONJSA-N 2 2 252.318 -0.003 20 0 CBADLP O=C([C@H](O)c1c[nH+]c[nH]1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000865198773 583900597 /nfs/dbraw/zinc/90/05/97/583900597.db2.gz MIJLFWLZNQBACW-FRRDWIJNSA-N 2 2 294.355 -0.499 20 0 CBADLP Cc1nc(N2CCN(c3[nH+]ccn3C)CC2)nc(N)[nH+]1 ZINC000865546938 583905562 /nfs/dbraw/zinc/90/55/62/583905562.db2.gz KNZJQQMTSRCNBG-UHFFFAOYSA-N 2 2 274.332 -0.178 20 0 CBADLP Cc1nc(N2CC[NH+](CCCCO)CC2)nc(N)[nH+]1 ZINC000865556116 583905870 /nfs/dbraw/zinc/90/58/70/583905870.db2.gz OUUYQUIBRAPWNE-UHFFFAOYSA-N 2 2 266.349 -0.343 20 0 CBADLP COCC[N@@H+]1CC[C@@H](NC(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000865583784 583906138 /nfs/dbraw/zinc/90/61/38/583906138.db2.gz VWLFRCPYGFPNOH-PYLYLYNFSA-N 2 2 297.399 -0.288 20 0 CBADLP COCC[N@H+]1CC[C@@H](NC(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000865583784 583906140 /nfs/dbraw/zinc/90/61/40/583906140.db2.gz VWLFRCPYGFPNOH-PYLYLYNFSA-N 2 2 297.399 -0.288 20 0 CBADLP CC[N@@H+]1CCCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)CC1 ZINC000865619192 583906773 /nfs/dbraw/zinc/90/67/73/583906773.db2.gz DUOAZEIQOFOFTE-LLVKDONJSA-N 2 2 252.318 -0.003 20 0 CBADLP CC[N@H+]1CCCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)CC1 ZINC000865619192 583906776 /nfs/dbraw/zinc/90/67/76/583906776.db2.gz DUOAZEIQOFOFTE-LLVKDONJSA-N 2 2 252.318 -0.003 20 0 CBADLP CN(C(=O)[C@H](O)c1c[nH+]c[nH]1)[C@H]1CCC[N@H+](C)C1 ZINC000866068617 583915576 /nfs/dbraw/zinc/91/55/76/583915576.db2.gz UGBSPDWDJUVFKY-GXSJLCMTSA-N 2 2 252.318 -0.004 20 0 CBADLP CN(C(=O)[C@H](O)c1c[nH+]c[nH]1)[C@H]1CCC[N@@H+](C)C1 ZINC000866068617 583915578 /nfs/dbraw/zinc/91/55/78/583915578.db2.gz UGBSPDWDJUVFKY-GXSJLCMTSA-N 2 2 252.318 -0.004 20 0 CBADLP CNC(=O)NC[C@@H]1CCCC[N@@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000866685067 583927032 /nfs/dbraw/zinc/92/70/32/583927032.db2.gz BIXOCMXKYRIBMW-RYUDHWBXSA-N 2 2 270.377 -0.242 20 0 CBADLP CNC(=O)NC[C@@H]1CCCC[N@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000866685067 583927034 /nfs/dbraw/zinc/92/70/34/583927034.db2.gz BIXOCMXKYRIBMW-RYUDHWBXSA-N 2 2 270.377 -0.242 20 0 CBADLP C[N@@H+]1CC[C@@H]2C[NH+](CCN3CC[NH2+]CC3)CC[C@H]21 ZINC000866703365 583927852 /nfs/dbraw/zinc/92/78/52/583927852.db2.gz HQKXUDYBSKBANM-ZIAGYGMSSA-N 3 2 252.406 -0.082 20 0 CBADLP C[N@H+]1CC[C@@H]2C[NH+](CCN3CC[NH2+]CC3)CC[C@H]21 ZINC000866703365 583927853 /nfs/dbraw/zinc/92/78/53/583927853.db2.gz HQKXUDYBSKBANM-ZIAGYGMSSA-N 3 2 252.406 -0.082 20 0 CBADLP C[NH+]1CC[C@@H]2C[N@H+](CCN3CC[NH2+]CC3)CC[C@H]21 ZINC000866703365 583927854 /nfs/dbraw/zinc/92/78/54/583927854.db2.gz HQKXUDYBSKBANM-ZIAGYGMSSA-N 3 2 252.406 -0.082 20 0 CBADLP C[NH+]1CC[C@@H]2C[N@@H+](CCN3CC[NH2+]CC3)CC[C@H]21 ZINC000866703365 583927855 /nfs/dbraw/zinc/92/78/55/583927855.db2.gz HQKXUDYBSKBANM-ZIAGYGMSSA-N 3 2 252.406 -0.082 20 0 CBADLP C[N@@H+]1CC[C@@H]2C[NH+](CCN3CC[NH2+]CC3)CC[C@@H]21 ZINC000866703363 583927894 /nfs/dbraw/zinc/92/78/94/583927894.db2.gz HQKXUDYBSKBANM-KGLIPLIRSA-N 3 2 252.406 -0.082 20 0 CBADLP C[N@H+]1CC[C@@H]2C[NH+](CCN3CC[NH2+]CC3)CC[C@@H]21 ZINC000866703363 583927895 /nfs/dbraw/zinc/92/78/95/583927895.db2.gz HQKXUDYBSKBANM-KGLIPLIRSA-N 3 2 252.406 -0.082 20 0 CBADLP C[NH+]1CC[C@@H]2C[N@H+](CCN3CC[NH2+]CC3)CC[C@@H]21 ZINC000866703363 583927896 /nfs/dbraw/zinc/92/78/96/583927896.db2.gz HQKXUDYBSKBANM-KGLIPLIRSA-N 3 2 252.406 -0.082 20 0 CBADLP C[NH+]1CC[C@@H]2C[N@@H+](CCN3CC[NH2+]CC3)CC[C@@H]21 ZINC000866703363 583927897 /nfs/dbraw/zinc/92/78/97/583927897.db2.gz HQKXUDYBSKBANM-KGLIPLIRSA-N 3 2 252.406 -0.082 20 0 CBADLP O=C(CC[N@@H+]1CCC[C@@H]2[NH2+]CC[C@H]21)N1CC[NH2+]CC1 ZINC000866724101 583928810 /nfs/dbraw/zinc/92/88/10/583928810.db2.gz IDEKSZGVRQAQCM-QWHCGFSZSA-N 3 2 266.389 -0.365 20 0 CBADLP O=C(CC[N@H+]1CCC[C@@H]2[NH2+]CC[C@H]21)N1CC[NH2+]CC1 ZINC000866724101 583928812 /nfs/dbraw/zinc/92/88/12/583928812.db2.gz IDEKSZGVRQAQCM-QWHCGFSZSA-N 3 2 266.389 -0.365 20 0 CBADLP CNC(=O)NC(=O)CC[N@@H+]1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866723115 583928838 /nfs/dbraw/zinc/92/88/38/583928838.db2.gz DKQYCMFGLCMNOL-VHSXEESVSA-N 2 2 254.334 -0.342 20 0 CBADLP CNC(=O)NC(=O)CC[N@H+]1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866723115 583928839 /nfs/dbraw/zinc/92/88/39/583928839.db2.gz DKQYCMFGLCMNOL-VHSXEESVSA-N 2 2 254.334 -0.342 20 0 CBADLP CC[C@H](CO)[NH+]1CCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)CC1 ZINC000866810867 583933747 /nfs/dbraw/zinc/93/37/47/583933747.db2.gz XIPSFVSWNOGFNO-ZYHUDNBSSA-N 2 2 282.344 -0.642 20 0 CBADLP CC[N@@H+]1CCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)C[C@H]1C ZINC000866950161 583937595 /nfs/dbraw/zinc/93/75/95/583937595.db2.gz YRKBIJIXMHJCRU-KOLCDFICSA-N 2 2 252.318 -0.004 20 0 CBADLP CC[N@H+]1CCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)C[C@H]1C ZINC000866950161 583937597 /nfs/dbraw/zinc/93/75/97/583937597.db2.gz YRKBIJIXMHJCRU-KOLCDFICSA-N 2 2 252.318 -0.004 20 0 CBADLP C[NH+](C)C1CN(C(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000867068585 583940144 /nfs/dbraw/zinc/94/01/44/583940144.db2.gz AICGBGKKCYMZKD-ARJAWSKDSA-N 2 2 253.346 -0.353 20 0 CBADLP CN(CC[N@H+](C)C1CC1)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000867476408 583955038 /nfs/dbraw/zinc/95/50/38/583955038.db2.gz ZOVYKWCCPBNHCP-NSHDSACASA-N 2 2 252.318 -0.004 20 0 CBADLP CN(CC[N@@H+](C)C1CC1)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000867476408 583955039 /nfs/dbraw/zinc/95/50/39/583955039.db2.gz ZOVYKWCCPBNHCP-NSHDSACASA-N 2 2 252.318 -0.004 20 0 CBADLP C[C@@H]1CN(C(=O)/C=C\C[NH+]2CCOCC2)CC[N@@H+]1CCO ZINC000867548254 583957258 /nfs/dbraw/zinc/95/72/58/583957258.db2.gz CBEDBULAZAWGMY-PYLYLYNFSA-N 2 2 297.399 -0.600 20 0 CBADLP C[C@@H]1CN(C(=O)/C=C\C[NH+]2CCOCC2)CC[N@H+]1CCO ZINC000867548254 583957260 /nfs/dbraw/zinc/95/72/60/583957260.db2.gz CBEDBULAZAWGMY-PYLYLYNFSA-N 2 2 297.399 -0.600 20 0 CBADLP C[C@H]1CN(C(=O)/C=C/C[NH+]2CCOCC2)CC[N@@H+]1CCO ZINC000867548253 583957358 /nfs/dbraw/zinc/95/73/58/583957358.db2.gz CBEDBULAZAWGMY-HSWBROFVSA-N 2 2 297.399 -0.600 20 0 CBADLP C[C@H]1CN(C(=O)/C=C/C[NH+]2CCOCC2)CC[N@H+]1CCO ZINC000867548253 583957361 /nfs/dbraw/zinc/95/73/61/583957361.db2.gz CBEDBULAZAWGMY-HSWBROFVSA-N 2 2 297.399 -0.600 20 0 CBADLP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000867639816 583959009 /nfs/dbraw/zinc/95/90/09/583959009.db2.gz FLJOCKXSAFDOQY-JQWIXIFHSA-N 2 2 296.371 -0.253 20 0 CBADLP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000867639816 583959011 /nfs/dbraw/zinc/95/90/11/583959011.db2.gz FLJOCKXSAFDOQY-JQWIXIFHSA-N 2 2 296.371 -0.253 20 0 CBADLP COC[C@]1(C(=O)Nc2cc3n(n2)CC[N@H+](C)C3)CC[NH2+]C1 ZINC000868036767 583969627 /nfs/dbraw/zinc/96/96/27/583969627.db2.gz IOIRYXPGYVZWNP-AWEZNQCLSA-N 2 2 293.371 -0.107 20 0 CBADLP COC[C@]1(C(=O)Nc2cc3n(n2)CC[N@@H+](C)C3)CC[NH2+]C1 ZINC000868036767 583969629 /nfs/dbraw/zinc/96/96/29/583969629.db2.gz IOIRYXPGYVZWNP-AWEZNQCLSA-N 2 2 293.371 -0.107 20 0 CBADLP COCC[NH2+]CCNC(=O)Nc1cc2n(n1)CC[N@H+](C)C2 ZINC000868205698 583972817 /nfs/dbraw/zinc/97/28/17/583972817.db2.gz PBRZQJWAYGLOHD-UHFFFAOYSA-N 2 2 296.375 -0.314 20 0 CBADLP COCC[NH2+]CCNC(=O)Nc1cc2n(n1)CC[N@@H+](C)C2 ZINC000868205698 583972818 /nfs/dbraw/zinc/97/28/18/583972818.db2.gz PBRZQJWAYGLOHD-UHFFFAOYSA-N 2 2 296.375 -0.314 20 0 CBADLP C[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)CC1 ZINC000868418445 583978688 /nfs/dbraw/zinc/97/86/88/583978688.db2.gz KPUFJNIQUCAYAY-RYUDHWBXSA-N 2 2 280.372 -0.887 20 0 CBADLP CN(Cc1c[nH+]c[nH]1)C(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000868418942 583978775 /nfs/dbraw/zinc/97/87/75/583978775.db2.gz SSGBCNJJIWULKS-RYUDHWBXSA-N 2 2 291.355 -0.279 20 0 CBADLP CN(Cc1c[nH]c[nH+]1)C(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000868418942 583978777 /nfs/dbraw/zinc/97/87/77/583978777.db2.gz SSGBCNJJIWULKS-RYUDHWBXSA-N 2 2 291.355 -0.279 20 0 CBADLP C[C@@H]1CN(C(=O)[C@H](O)c2c[nH+]c[nH]2)C[C@H](C)[N@H+]1CCO ZINC000868723080 583984833 /nfs/dbraw/zinc/98/48/33/583984833.db2.gz YELUPPDAPQLZQB-JFGNBEQYSA-N 2 2 282.344 -0.643 20 0 CBADLP C[C@@H]1CN(C(=O)[C@H](O)c2c[nH+]c[nH]2)C[C@H](C)[N@@H+]1CCO ZINC000868723080 583984836 /nfs/dbraw/zinc/98/48/36/583984836.db2.gz YELUPPDAPQLZQB-JFGNBEQYSA-N 2 2 282.344 -0.643 20 0 CBADLP O=C(/C=C\C[NH+]1CCOCC1)NCC[NH+]1CCC(O)CC1 ZINC000868758186 583986082 /nfs/dbraw/zinc/98/60/82/583986082.db2.gz NLHNULLJOYIAAY-UPHRSURJSA-N 2 2 297.399 -0.552 20 0 CBADLP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000868926624 583990065 /nfs/dbraw/zinc/99/00/65/583990065.db2.gz BFRHYNYQQUECNA-GXSJLCMTSA-N 2 2 252.318 -0.004 20 0 CBADLP CN(C[C@@H]1CCC[N@H+]1C)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000868926624 583990067 /nfs/dbraw/zinc/99/00/67/583990067.db2.gz BFRHYNYQQUECNA-GXSJLCMTSA-N 2 2 252.318 -0.004 20 0 CBADLP O=C(/C=C\C[NH+]1CCOCC1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000869194523 583995633 /nfs/dbraw/zinc/99/56/33/583995633.db2.gz FDZUWWKSWXIHMB-CIKQRIOISA-N 2 2 295.383 -0.848 20 0 CBADLP O=C(/C=C\C[NH+]1CCOCC1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000869194523 583995635 /nfs/dbraw/zinc/99/56/35/583995635.db2.gz FDZUWWKSWXIHMB-CIKQRIOISA-N 2 2 295.383 -0.848 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC000870068300 584008847 /nfs/dbraw/zinc/00/88/47/584008847.db2.gz KPXNXJSRAMQDTQ-ZIAGYGMSSA-N 2 2 297.399 -0.360 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC000870068300 584008848 /nfs/dbraw/zinc/00/88/48/584008848.db2.gz KPXNXJSRAMQDTQ-ZIAGYGMSSA-N 2 2 297.399 -0.360 20 0 CBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870909204 584021150 /nfs/dbraw/zinc/02/11/50/584021150.db2.gz CEFZRNZLVOGPJR-COMQUAJESA-N 2 2 297.399 -0.735 20 0 CBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870911175 584021161 /nfs/dbraw/zinc/02/11/61/584021161.db2.gz WERCWRLWUYXJTC-MJBXVCDLSA-N 2 2 299.415 -0.345 20 0 CBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CC[NH2+]CC1CC1 ZINC000870910122 584021186 /nfs/dbraw/zinc/02/11/86/584021186.db2.gz MBJBVMXFZDOWLD-AWEZNQCLSA-N 2 2 299.415 -0.472 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000870966084 584023408 /nfs/dbraw/zinc/02/34/08/584023408.db2.gz AUKHEYNZHXUULB-PHIMTYICSA-N 2 2 270.377 -0.704 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000870966084 584023411 /nfs/dbraw/zinc/02/34/11/584023411.db2.gz AUKHEYNZHXUULB-PHIMTYICSA-N 2 2 270.377 -0.704 20 0 CBADLP CN1CCN(C(=O)[C@@H]2C[NH2+]CCO2)Cc2ccc[nH+]c21 ZINC000871019948 584025043 /nfs/dbraw/zinc/02/50/43/584025043.db2.gz HLGMBQHWVLTCPH-LBPRGKRZSA-N 2 2 276.340 -0.152 20 0 CBADLP C[N@@H+]1CCn2nc(NC(=O)C[C@@H]3C[NH2+]CCO3)cc2C1 ZINC000871010887 584025079 /nfs/dbraw/zinc/02/50/79/584025079.db2.gz KVLNOKJKAFPGCZ-LLVKDONJSA-N 2 2 279.344 -0.355 20 0 CBADLP C[N@H+]1CCn2nc(NC(=O)C[C@@H]3C[NH2+]CCO3)cc2C1 ZINC000871010887 584025082 /nfs/dbraw/zinc/02/50/82/584025082.db2.gz KVLNOKJKAFPGCZ-LLVKDONJSA-N 2 2 279.344 -0.355 20 0 CBADLP C[S@](=N)(=O)N1CC[NH+](CCOCC[NH3+])CC1 ZINC000872146225 584047824 /nfs/dbraw/zinc/04/78/24/584047824.db2.gz IPLPDPNMYPFZLN-MRXNPFEDSA-N 2 2 250.368 -0.829 20 0 CBADLP C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872153088 584048080 /nfs/dbraw/zinc/04/80/80/584048080.db2.gz ZMBSDNXJMIKYJE-PKFCDNJMSA-N 2 2 280.372 -0.096 20 0 CBADLP C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872153088 584048082 /nfs/dbraw/zinc/04/80/82/584048082.db2.gz ZMBSDNXJMIKYJE-PKFCDNJMSA-N 2 2 280.372 -0.096 20 0 CBADLP C[S@@](=N)(=O)N1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000872146362 584048090 /nfs/dbraw/zinc/04/80/90/584048090.db2.gz MGKZRAWREDIPGM-WLRWDXFRSA-N 2 2 288.417 -0.283 20 0 CBADLP CN(CCCCCC[NH3+])C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000872196017 584049207 /nfs/dbraw/zinc/04/92/07/584049207.db2.gz SPLJWCCKUBMJDG-UHFFFAOYSA-N 2 2 284.404 -0.262 20 0 CBADLP CC(C)(O)C[C@@H](O)C[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000872214817 584050532 /nfs/dbraw/zinc/05/05/32/584050532.db2.gz GQHUZKVSVQVLOB-CHWSQXEVSA-N 2 2 274.405 -0.055 20 0 CBADLP CC(C)(O)C[C@@H](O)C[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000872214817 584050534 /nfs/dbraw/zinc/05/05/34/584050534.db2.gz GQHUZKVSVQVLOB-CHWSQXEVSA-N 2 2 274.405 -0.055 20 0 CBADLP C[C@H](O)[C@H](O)C[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000872225377 584051192 /nfs/dbraw/zinc/05/11/92/584051192.db2.gz JGJXZXPJOWIDJH-AEGPPILISA-N 2 2 282.384 -0.189 20 0 CBADLP C[C@H](O)[C@H](O)C[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000872225377 584051194 /nfs/dbraw/zinc/05/11/94/584051194.db2.gz JGJXZXPJOWIDJH-AEGPPILISA-N 2 2 282.384 -0.189 20 0 CBADLP Cn1ccnc1C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872254547 584052340 /nfs/dbraw/zinc/05/23/40/584052340.db2.gz HIIUQIYOMGAWJP-UTUOFQBUSA-N 2 2 291.355 -0.213 20 0 CBADLP Cn1ccnc1C[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872254547 584052342 /nfs/dbraw/zinc/05/23/42/584052342.db2.gz HIIUQIYOMGAWJP-UTUOFQBUSA-N 2 2 291.355 -0.213 20 0 CBADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@@]12COC(=O)N1CCOC2 ZINC000873250893 584069249 /nfs/dbraw/zinc/06/92/49/584069249.db2.gz TVBQVCLLNQLMCJ-YRGRVCCFSA-N 2 2 299.371 -0.436 20 0 CBADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CC(C)(C)CS(N)(=O)=O ZINC000873261771 584069459 /nfs/dbraw/zinc/06/94/59/584069459.db2.gz GVZJUGDEPGMKTI-UWVGGRQHSA-N 2 2 263.407 -0.111 20 0 CBADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000873988031 584075835 /nfs/dbraw/zinc/07/58/35/584075835.db2.gz LPMRBZBHFHUWOJ-UHFFFAOYSA-N 2 2 296.415 -0.247 20 0 CBADLP CCNC(=O)C[N@H+]1CCCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000873988031 584075837 /nfs/dbraw/zinc/07/58/37/584075837.db2.gz LPMRBZBHFHUWOJ-UHFFFAOYSA-N 2 2 296.415 -0.247 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)N[C@H]2Cc3c[nH+]cn3C2)CCO1 ZINC000875195240 584100779 /nfs/dbraw/zinc/10/07/79/584100779.db2.gz QCQUHQWNRWOIDB-RYUDHWBXSA-N 2 2 293.371 -0.172 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)N[C@H]2Cc3c[nH+]cn3C2)CCO1 ZINC000875195240 584100781 /nfs/dbraw/zinc/10/07/81/584100781.db2.gz QCQUHQWNRWOIDB-RYUDHWBXSA-N 2 2 293.371 -0.172 20 0 CBADLP [NH3+][C@@H]1CCCN(C(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000876499984 584129645 /nfs/dbraw/zinc/12/96/45/584129645.db2.gz CHNHIMUMMCFWPG-DTRQGZQOSA-N 2 2 253.346 -0.176 20 0 CBADLP C[NH2+][C@@H]1CCN(C(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000876503925 584129961 /nfs/dbraw/zinc/12/99/61/584129961.db2.gz HNMQIGNWVJRMDR-QAVQXKDTSA-N 2 2 253.346 -0.305 20 0 CBADLP O=C(/C=C/C[NH+]1CCOCC1)N[C@H]1CCC[NH2+]C1 ZINC000876508706 584130139 /nfs/dbraw/zinc/13/01/39/584130139.db2.gz VSPGEHIBQRAWMS-KMOQFTEPSA-N 2 2 253.346 -0.257 20 0 CBADLP C[C@@H](C(=O)N1CCC[C@H](C[NH3+])C1)N1CC[NH2+]CC1=O ZINC000876513713 584130401 /nfs/dbraw/zinc/13/04/01/584130401.db2.gz OYSJKMLUFVFUDP-WDEREUQCSA-N 2 2 268.361 -0.996 20 0 CBADLP O=C(/C=C\C[NH+]1CCOCC1)NC[C@@H]1CCC[NH2+]C1 ZINC000876513405 584130459 /nfs/dbraw/zinc/13/04/59/584130459.db2.gz LRHIAKGWQYZMDE-QDOCKXBDSA-N 2 2 267.373 -0.009 20 0 CBADLP O=C(/C=C/C[NH+]1CCOCC1)NCC[C@@H]1CC[NH2+]C1 ZINC000876525806 584131284 /nfs/dbraw/zinc/13/12/84/584131284.db2.gz OEJSSXWTTOJRFE-AORQRIRUSA-N 2 2 267.373 -0.009 20 0 CBADLP [NH3+]C[C@@H](NC(=O)/C=C\C[NH+]1CCOCC1)C1CC1 ZINC000876537406 584132027 /nfs/dbraw/zinc/13/20/27/584132027.db2.gz QGRBFULCOWNIRH-UDSFMNFJSA-N 2 2 253.346 -0.272 20 0 CBADLP CC(C)[C@@H]([NH3+])CNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000876536879 584132134 /nfs/dbraw/zinc/13/21/34/584132134.db2.gz UBBATZJZRYBKPF-PCAWENJQSA-N 2 2 255.362 -0.026 20 0 CBADLP Cc1ccnn1CC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000876541621 584132427 /nfs/dbraw/zinc/13/24/27/584132427.db2.gz COBOACQVRAZLGP-LLVKDONJSA-N 2 2 251.334 -0.707 20 0 CBADLP Cc1ccnn1CC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000876541621 584132429 /nfs/dbraw/zinc/13/24/29/584132429.db2.gz COBOACQVRAZLGP-LLVKDONJSA-N 2 2 251.334 -0.707 20 0 CBADLP C[C@H]([NH3+])[C@@H]1CN(C(=O)/C=C\C[NH+]2CCOCC2)CCO1 ZINC000876542988 584132657 /nfs/dbraw/zinc/13/26/57/584132657.db2.gz CAOGYOMLHMVKAR-KQZHAYLCSA-N 2 2 283.372 -0.551 20 0 CBADLP O=C(NCC[NH+]1CCOCC1)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876707495 584140453 /nfs/dbraw/zinc/14/04/53/584140453.db2.gz ICRHILYYABERJH-QWRGUYRKSA-N 2 2 259.325 -0.618 20 0 CBADLP O=C(/C=C/[C@@H]1CCC[NH2+]C1)NCC[NH+]1CCOCC1 ZINC000876708144 584140592 /nfs/dbraw/zinc/14/05/92/584140592.db2.gz XTMTVAHKIHNQRJ-OOPCZODUSA-N 2 2 267.373 -0.009 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@H]2C[C@H]([NH3+])C2(C)C)CC1 ZINC000876723724 584140945 /nfs/dbraw/zinc/14/09/45/584140945.db2.gz GIJXIRDIQVEDFP-OLZOCXBDSA-N 2 2 296.415 -0.360 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H](F)[C@@H]2CC[NH2+]C2)CCO1 ZINC000876746870 584142068 /nfs/dbraw/zinc/14/20/68/584142068.db2.gz QLUMECNMNYQHNT-IJLUTSLNSA-N 2 2 273.352 -0.229 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H](F)[C@@H]2CC[NH2+]C2)CCO1 ZINC000876746870 584142071 /nfs/dbraw/zinc/14/20/71/584142071.db2.gz QLUMECNMNYQHNT-IJLUTSLNSA-N 2 2 273.352 -0.229 20 0 CBADLP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000876830407 584148112 /nfs/dbraw/zinc/14/81/12/584148112.db2.gz ITEFHJMNCQAGMW-XDYXTIEYSA-N 2 2 267.373 -0.011 20 0 CBADLP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000876830404 584148126 /nfs/dbraw/zinc/14/81/26/584148126.db2.gz ITEFHJMNCQAGMW-FAQRPARDSA-N 2 2 267.373 -0.011 20 0 CBADLP COC[C@@]1(CNC(=O)/C=C\C[NH+]2CCOCC2)CCC[NH2+]1 ZINC000876849821 584149651 /nfs/dbraw/zinc/14/96/51/584149651.db2.gz ZIXHBEZDZTZXGV-HKLWWIALSA-N 2 2 297.399 -0.240 20 0 CBADLP O=C(/C=C/C[NH+]1CCOCC1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000876865867 584150993 /nfs/dbraw/zinc/15/09/93/584150993.db2.gz JCMCSPWUOWGCAR-FMBMQGQPSA-N 2 2 289.326 -0.012 20 0 CBADLP O=C(/C=C/C[NH+]1CCOCC1)NC[C@H]1C[NH2+]CCCO1 ZINC000876871917 584151929 /nfs/dbraw/zinc/15/19/29/584151929.db2.gz ZXMLXPCVPIBGBO-KNVIWWDSSA-N 2 2 283.372 -0.631 20 0 CBADLP C[C@@H](C(=O)N1CC[C@@]2(CCC[NH2+]2)C1)N1CC[NH2+]CC1=O ZINC000876925086 584155937 /nfs/dbraw/zinc/15/59/37/584155937.db2.gz TUTJTFJRWYUBEG-FZMZJTMJSA-N 2 2 280.372 -0.839 20 0 CBADLP C[C@H](C(=O)N1CC[C@]2(CCC[NH2+]2)C1)N1CC[NH2+]CC1=O ZINC000876925085 584156018 /nfs/dbraw/zinc/15/60/18/584156018.db2.gz TUTJTFJRWYUBEG-BXUZGUMPSA-N 2 2 280.372 -0.839 20 0 CBADLP COC[C@]1(C(=O)N(C)Cc2c[nH+]c[nH]2)C[NH2+]CCO1 ZINC000876957134 584158383 /nfs/dbraw/zinc/15/83/83/584158383.db2.gz UYDRIYYRTASBLJ-LBPRGKRZSA-N 2 2 268.317 -0.627 20 0 CBADLP COC[C@]1(C(=O)N(C)Cc2c[nH]c[nH+]2)C[NH2+]CCO1 ZINC000876957134 584158384 /nfs/dbraw/zinc/15/83/84/584158384.db2.gz UYDRIYYRTASBLJ-LBPRGKRZSA-N 2 2 268.317 -0.627 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876960518 584158427 /nfs/dbraw/zinc/15/84/27/584158427.db2.gz FFIUIFRHOUJFRC-STQMWFEESA-N 3 2 288.411 -0.066 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876960518 584158429 /nfs/dbraw/zinc/15/84/29/584158429.db2.gz FFIUIFRHOUJFRC-STQMWFEESA-N 3 2 288.411 -0.066 20 0 CBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C=C1CC[NH2+]CC1 ZINC000876986941 584159809 /nfs/dbraw/zinc/15/98/09/584159809.db2.gz PRWRJEUPWYRUHY-AWEZNQCLSA-N 2 2 297.399 -0.552 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+]Cc2ccc(Cl)nn2)CC1 ZINC000876985194 584159872 /nfs/dbraw/zinc/15/98/72/584159872.db2.gz WLRNRESVHSNHTB-UHFFFAOYSA-N 2 2 283.763 -0.006 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)/C=C/[C@H]1CCC[NH2+]C1 ZINC000877034187 584162747 /nfs/dbraw/zinc/16/27/47/584162747.db2.gz ATMBSKMXLCNWCR-DRHCNIFCSA-N 2 2 267.373 -0.011 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)/C=C/[C@H]1CCC[NH2+]C1 ZINC000877034187 584162748 /nfs/dbraw/zinc/16/27/48/584162748.db2.gz ATMBSKMXLCNWCR-DRHCNIFCSA-N 2 2 267.373 -0.011 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)C=C1CC[NH2+]CC1 ZINC000877034554 584162760 /nfs/dbraw/zinc/16/27/60/584162760.db2.gz KHOFKQPOBMCVFF-GFCCVEGCSA-N 2 2 253.346 -0.257 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)C=C1CC[NH2+]CC1 ZINC000877034554 584162761 /nfs/dbraw/zinc/16/27/61/584162761.db2.gz KHOFKQPOBMCVFF-GFCCVEGCSA-N 2 2 253.346 -0.257 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)CCC12CC(C1)C[NH2+]2 ZINC000877035689 584162978 /nfs/dbraw/zinc/16/29/78/584162978.db2.gz ZUGRVUBSOBRZBW-LXVYMNJGSA-N 2 2 267.373 -0.035 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)CCC12CC(C1)C[NH2+]2 ZINC000877035689 584162979 /nfs/dbraw/zinc/16/29/79/584162979.db2.gz ZUGRVUBSOBRZBW-LXVYMNJGSA-N 2 2 267.373 -0.035 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)CCC12CC(C1)C[NH2+]2 ZINC000877035692 584163029 /nfs/dbraw/zinc/16/30/29/584163029.db2.gz ZUGRVUBSOBRZBW-MBHSVXNSSA-N 2 2 267.373 -0.035 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)CCC12CC(C1)C[NH2+]2 ZINC000877035692 584163030 /nfs/dbraw/zinc/16/30/30/584163030.db2.gz ZUGRVUBSOBRZBW-MBHSVXNSSA-N 2 2 267.373 -0.035 20 0 CBADLP [NH3+]CCCOCCNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000877053443 584164313 /nfs/dbraw/zinc/16/43/13/584164313.db2.gz NJRHQWKJKVAIEY-HNQUOIGGSA-N 2 2 271.361 -0.644 20 0 CBADLP [NH3+]CCCOCCNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000877053444 584164325 /nfs/dbraw/zinc/16/43/25/584164325.db2.gz NJRHQWKJKVAIEY-IWQZZHSRSA-N 2 2 271.361 -0.644 20 0 CBADLP C[C@H](C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1)N1CC[NH2+]CC1=O ZINC000877150827 584168235 /nfs/dbraw/zinc/16/82/35/584168235.db2.gz CVPGJTBRIYQYBE-VXGBXAGGSA-N 2 2 296.415 -0.299 20 0 CBADLP CC1(C)CC[C@H](CNC(=O)CN2CC[NH2+]CC2=O)[NH2+]C1 ZINC000877158600 584168481 /nfs/dbraw/zinc/16/84/81/584168481.db2.gz VKNDWSBMTGPTLO-LLVKDONJSA-N 2 2 282.388 -0.687 20 0 CBADLP O=C(/C=C\C[NH+]1CCOCC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000877168788 584168878 /nfs/dbraw/zinc/16/88/78/584168878.db2.gz UEVWSRFZFOQANS-ZMCHVJTCSA-N 2 2 251.330 -0.553 20 0 CBADLP C[C@@H](NC(=O)[C@@H](C)N1CC[NH2+]CC1=O)C1CC[NH2+]CC1 ZINC000877254260 584173398 /nfs/dbraw/zinc/17/33/98/584173398.db2.gz QBBVIJMICLZQNE-GHMZBOCLSA-N 2 2 282.388 -0.689 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCO[C@H](C(F)F)C1 ZINC000877299585 584176941 /nfs/dbraw/zinc/17/69/41/584176941.db2.gz LXNDSTLJMXGDIV-IUCAKERBSA-N 2 2 265.304 -0.242 20 0 CBADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)C[NH2+]CCOC ZINC000877432802 584181035 /nfs/dbraw/zinc/18/10/35/584181035.db2.gz HJHQYUHUNZRUTN-GFCCVEGCSA-N 2 2 273.377 -0.551 20 0 CBADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)C[NH2+]CCOC ZINC000877432802 584181037 /nfs/dbraw/zinc/18/10/37/584181037.db2.gz HJHQYUHUNZRUTN-GFCCVEGCSA-N 2 2 273.377 -0.551 20 0 CBADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)C[C@@H](C[NH3+])OC ZINC000877433701 584181299 /nfs/dbraw/zinc/18/12/99/584181299.db2.gz HQJWDVZXDORUEG-RYUDHWBXSA-N 2 2 273.377 -0.423 20 0 CBADLP CC[C@H]1COCC[N@H+]1CCNC(=O)C[C@@H](C[NH3+])OC ZINC000877433701 584181301 /nfs/dbraw/zinc/18/13/01/584181301.db2.gz HQJWDVZXDORUEG-RYUDHWBXSA-N 2 2 273.377 -0.423 20 0 CBADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000877434159 584181571 /nfs/dbraw/zinc/18/15/71/584181571.db2.gz NZKDVFZFTWNKAG-UKRRQHHQSA-N 2 2 299.415 -0.031 20 0 CBADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000877434159 584181572 /nfs/dbraw/zinc/18/15/72/584181572.db2.gz NZKDVFZFTWNKAG-UKRRQHHQSA-N 2 2 299.415 -0.031 20 0 CBADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000877433958 584181589 /nfs/dbraw/zinc/18/15/89/584181589.db2.gz KVGYKJIFQOAHAN-IJLUTSLNSA-N 2 2 255.362 -0.049 20 0 CBADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000877433958 584181591 /nfs/dbraw/zinc/18/15/91/584181591.db2.gz KVGYKJIFQOAHAN-IJLUTSLNSA-N 2 2 255.362 -0.049 20 0 CBADLP C[C@@H](C(=O)N(C)CCCCCC[NH3+])N1CC[NH2+]CC1=O ZINC000877437178 584182040 /nfs/dbraw/zinc/18/20/40/584182040.db2.gz YGZPMRHZFVDHFE-LBPRGKRZSA-N 2 2 284.404 -0.216 20 0 CBADLP CN(CCCCCC[NH3+])C(=O)CN1CC[NH2+]CC1=O ZINC000877443515 584182483 /nfs/dbraw/zinc/18/24/83/584182483.db2.gz FORQENTZAQJGKK-UHFFFAOYSA-N 2 2 270.377 -0.604 20 0 CBADLP C[N@H+](CC(=O)NC1CC1)CC(=O)NC1CC[NH+](C)CC1 ZINC000877940150 584188345 /nfs/dbraw/zinc/18/83/45/584188345.db2.gz KACSOUGYEUKJJW-UHFFFAOYSA-N 2 2 282.388 -0.593 20 0 CBADLP C[N@@H+](CC(=O)NC1CC1)CC(=O)NC1CC[NH+](C)CC1 ZINC000877940150 584188348 /nfs/dbraw/zinc/18/83/48/584188348.db2.gz KACSOUGYEUKJJW-UHFFFAOYSA-N 2 2 282.388 -0.593 20 0 CBADLP CCCC[N@H+](CC(N)=O)CC(=O)NC1CC[NH+](C)CC1 ZINC000877970252 584189197 /nfs/dbraw/zinc/18/91/97/584189197.db2.gz LSUNUHSEZWHTRJ-UHFFFAOYSA-N 2 2 284.404 -0.216 20 0 CBADLP CCCC[N@@H+](CC(N)=O)CC(=O)NC1CC[NH+](C)CC1 ZINC000877970252 584189199 /nfs/dbraw/zinc/18/91/99/584189199.db2.gz LSUNUHSEZWHTRJ-UHFFFAOYSA-N 2 2 284.404 -0.216 20 0 CBADLP CNC(=O)[C@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000877992667 584189901 /nfs/dbraw/zinc/18/99/01/584189901.db2.gz YTFZNCMGEQSBJO-GFCCVEGCSA-N 2 2 282.388 -0.593 20 0 CBADLP CNC(=O)[C@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000877992667 584189903 /nfs/dbraw/zinc/18/99/03/584189903.db2.gz YTFZNCMGEQSBJO-GFCCVEGCSA-N 2 2 282.388 -0.593 20 0 CBADLP Cc1nc(N2CC[NH+](CCn3cnnn3)CC2)cc[nH+]1 ZINC000878431081 584202550 /nfs/dbraw/zinc/20/25/50/584202550.db2.gz YGMRNOFGWLEJKW-UHFFFAOYSA-N 2 2 274.332 -0.406 20 0 CBADLP C[C@@H]1COCC[N@@H+]1C1CC[NH+](CCc2nnnn2C)CC1 ZINC000878636027 584211194 /nfs/dbraw/zinc/21/11/94/584211194.db2.gz XIHSCZHFSXJBTG-GFCCVEGCSA-N 2 2 294.403 -0.062 20 0 CBADLP C[C@@H]1COCC[N@H+]1C1CC[NH+](CCc2nnnn2C)CC1 ZINC000878636027 584211196 /nfs/dbraw/zinc/21/11/96/584211196.db2.gz XIHSCZHFSXJBTG-GFCCVEGCSA-N 2 2 294.403 -0.062 20 0 CBADLP C[C@H]1COCC[N@@H+]1C1CC[NH+](CCc2nnnn2C)CC1 ZINC000878636028 584211273 /nfs/dbraw/zinc/21/12/73/584211273.db2.gz XIHSCZHFSXJBTG-LBPRGKRZSA-N 2 2 294.403 -0.062 20 0 CBADLP C[C@H]1COCC[N@H+]1C1CC[NH+](CCc2nnnn2C)CC1 ZINC000878636028 584211275 /nfs/dbraw/zinc/21/12/75/584211275.db2.gz XIHSCZHFSXJBTG-LBPRGKRZSA-N 2 2 294.403 -0.062 20 0 CBADLP Cn1nnnc1CC[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000878693693 584214066 /nfs/dbraw/zinc/21/40/66/584214066.db2.gz FVSQTDHEEDMBIF-UHFFFAOYSA-N 2 2 294.403 -0.421 20 0 CBADLP Cc1cc(NC(=O)NCC[N@@H+](C)CCOCCO)cc[nH+]1 ZINC000879071900 584226182 /nfs/dbraw/zinc/22/61/82/584226182.db2.gz XYORLNOVRALJLQ-UHFFFAOYSA-N 2 2 296.371 -0.126 20 0 CBADLP Cc1cc(NC(=O)NCC[N@H+](C)CCOCCO)cc[nH+]1 ZINC000879071900 584226185 /nfs/dbraw/zinc/22/61/85/584226185.db2.gz XYORLNOVRALJLQ-UHFFFAOYSA-N 2 2 296.371 -0.126 20 0 CBADLP CO[C@@H]1C[N@H+](C[C@@H](O)C[NH+]2CCCC2)[C@](C)(CO)C1 ZINC000879259595 584230467 /nfs/dbraw/zinc/23/04/67/584230467.db2.gz OVTLCNJQPPQCCU-IHRRRGAJSA-N 2 2 272.389 -0.085 20 0 CBADLP CO[C@@H]1C[N@@H+](C[C@@H](O)C[NH+]2CCCC2)[C@](C)(CO)C1 ZINC000879259595 584230468 /nfs/dbraw/zinc/23/04/68/584230468.db2.gz OVTLCNJQPPQCCU-IHRRRGAJSA-N 2 2 272.389 -0.085 20 0 CBADLP Cn1c[nH+]cc1CC[N@@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879535384 584239572 /nfs/dbraw/zinc/23/95/72/584239572.db2.gz LYQIIJHKFNOOBH-PHIMTYICSA-N 2 2 262.313 -0.491 20 0 CBADLP Cn1c[nH+]cc1CC[N@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879535384 584239574 /nfs/dbraw/zinc/23/95/74/584239574.db2.gz LYQIIJHKFNOOBH-PHIMTYICSA-N 2 2 262.313 -0.491 20 0 CBADLP CON(C)C(=O)C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879594137 584242369 /nfs/dbraw/zinc/24/23/69/584242369.db2.gz YTJYLINUTQFXCD-UHFFFAOYSA-N 2 2 284.404 -0.282 20 0 CBADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@H]2OCCNC(=O)[C@@H]21 ZINC000879723934 584247837 /nfs/dbraw/zinc/24/78/37/584247837.db2.gz CRCLRAIIBOKLMS-CHWSQXEVSA-N 2 2 278.356 -0.058 20 0 CBADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@H]2OCCNC(=O)[C@@H]21 ZINC000879723934 584247839 /nfs/dbraw/zinc/24/78/39/584247839.db2.gz CRCLRAIIBOKLMS-CHWSQXEVSA-N 2 2 278.356 -0.058 20 0 CBADLP Cn1nnnc1C1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000879916504 584253989 /nfs/dbraw/zinc/25/39/89/584253989.db2.gz NVBWDFSVUYWYSB-CYBMUJFWSA-N 2 2 294.403 -0.155 20 0 CBADLP Cn1nnnc1C1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000879916504 584253991 /nfs/dbraw/zinc/25/39/91/584253991.db2.gz NVBWDFSVUYWYSB-CYBMUJFWSA-N 2 2 294.403 -0.155 20 0 CBADLP OC[C@H]1C[N@@H+]2CCC[C@H]2CN1CC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000880071765 584260929 /nfs/dbraw/zinc/26/09/29/584260929.db2.gz NAFRGZFKTKADJA-XUWVNRHRSA-N 2 2 295.427 -0.010 20 0 CBADLP OC[C@H]1C[N@H+]2CCC[C@H]2CN1CC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000880071765 584260930 /nfs/dbraw/zinc/26/09/30/584260930.db2.gz NAFRGZFKTKADJA-XUWVNRHRSA-N 2 2 295.427 -0.010 20 0 CBADLP OC[C@H]1C[NH+]2CCC[C@H]2CN1CC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000880071765 584260931 /nfs/dbraw/zinc/26/09/31/584260931.db2.gz NAFRGZFKTKADJA-XUWVNRHRSA-N 2 2 295.427 -0.010 20 0 CBADLP OC[C@H]1C[NH+]2CCC[C@H]2CN1CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000880071765 584260932 /nfs/dbraw/zinc/26/09/32/584260932.db2.gz NAFRGZFKTKADJA-XUWVNRHRSA-N 2 2 295.427 -0.010 20 0 CBADLP Cn1nnnc1CC[N@@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000880141250 584264031 /nfs/dbraw/zinc/26/40/31/584264031.db2.gz OMONDIWVLAUEBQ-MNOVXSKESA-N 2 2 250.350 -0.079 20 0 CBADLP Cn1nnnc1CC[N@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000880141250 584264032 /nfs/dbraw/zinc/26/40/32/584264032.db2.gz OMONDIWVLAUEBQ-MNOVXSKESA-N 2 2 250.350 -0.079 20 0 CBADLP Cn1nnnc1CC[NH+]1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000880141250 584264033 /nfs/dbraw/zinc/26/40/33/584264033.db2.gz OMONDIWVLAUEBQ-MNOVXSKESA-N 2 2 250.350 -0.079 20 0 CBADLP Cn1nnnc1CC[NH+]1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000880141250 584264034 /nfs/dbraw/zinc/26/40/34/584264034.db2.gz OMONDIWVLAUEBQ-MNOVXSKESA-N 2 2 250.350 -0.079 20 0 CBADLP C[C@@H]1C[N@H+](CC(=O)NC(N)=O)CCN1c1cc[nH+]cc1 ZINC000880261442 584267928 /nfs/dbraw/zinc/26/79/28/584267928.db2.gz JNVJDPJCKWSBRD-SNVBAGLBSA-N 2 2 277.328 -0.213 20 0 CBADLP C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)CCN1c1cc[nH+]cc1 ZINC000880261442 584267929 /nfs/dbraw/zinc/26/79/29/584267929.db2.gz JNVJDPJCKWSBRD-SNVBAGLBSA-N 2 2 277.328 -0.213 20 0 CBADLP CC(=O)N1C[C@@H]2C[NH+](C[C@H](O)C[N@@H+](C)C3CC3)C[C@@H]2C1 ZINC000880311903 584268883 /nfs/dbraw/zinc/26/88/83/584268883.db2.gz IDCIDIJEWMXHIS-VNHYZAJKSA-N 2 2 281.400 -0.148 20 0 CBADLP CC(=O)N1C[C@@H]2C[NH+](C[C@H](O)C[N@H+](C)C3CC3)C[C@@H]2C1 ZINC000880311903 584268886 /nfs/dbraw/zinc/26/88/86/584268886.db2.gz IDCIDIJEWMXHIS-VNHYZAJKSA-N 2 2 281.400 -0.148 20 0 CBADLP CC(=O)N1C[C@@H]2C[N@H+](C[C@H](O)C[NH+](C)C3CC3)C[C@@H]2C1 ZINC000880311903 584268888 /nfs/dbraw/zinc/26/88/88/584268888.db2.gz IDCIDIJEWMXHIS-VNHYZAJKSA-N 2 2 281.400 -0.148 20 0 CBADLP CC(=O)N1C[C@@H]2C[N@@H+](C[C@H](O)C[NH+](C)C3CC3)C[C@@H]2C1 ZINC000880311903 584268890 /nfs/dbraw/zinc/26/88/90/584268890.db2.gz IDCIDIJEWMXHIS-VNHYZAJKSA-N 2 2 281.400 -0.148 20 0 CBADLP CC(=O)N1C[C@@H]2C[NH+](C[C@@H](O)C[N@@H+](C)C3CC3)C[C@@H]2C1 ZINC000880311902 584269022 /nfs/dbraw/zinc/26/90/22/584269022.db2.gz IDCIDIJEWMXHIS-GUTXKFCHSA-N 2 2 281.400 -0.148 20 0 CBADLP CC(=O)N1C[C@@H]2C[NH+](C[C@@H](O)C[N@H+](C)C3CC3)C[C@@H]2C1 ZINC000880311902 584269025 /nfs/dbraw/zinc/26/90/25/584269025.db2.gz IDCIDIJEWMXHIS-GUTXKFCHSA-N 2 2 281.400 -0.148 20 0 CBADLP CC(=O)N1C[C@@H]2C[N@H+](C[C@@H](O)C[NH+](C)C3CC3)C[C@@H]2C1 ZINC000880311902 584269027 /nfs/dbraw/zinc/26/90/27/584269027.db2.gz IDCIDIJEWMXHIS-GUTXKFCHSA-N 2 2 281.400 -0.148 20 0 CBADLP CC(=O)N1C[C@@H]2C[N@@H+](C[C@@H](O)C[NH+](C)C3CC3)C[C@@H]2C1 ZINC000880311902 584269028 /nfs/dbraw/zinc/26/90/28/584269028.db2.gz IDCIDIJEWMXHIS-GUTXKFCHSA-N 2 2 281.400 -0.148 20 0 CBADLP NC(=O)C[N@H+](C[C@H](O)C[NH+]1CCCC1)C1CCOCC1 ZINC000880391170 584270433 /nfs/dbraw/zinc/27/04/33/584270433.db2.gz BPPIDTRKAQILPW-CYBMUJFWSA-N 2 2 285.388 -0.591 20 0 CBADLP NC(=O)C[N@@H+](C[C@H](O)C[NH+]1CCCC1)C1CCOCC1 ZINC000880391170 584270435 /nfs/dbraw/zinc/27/04/35/584270435.db2.gz BPPIDTRKAQILPW-CYBMUJFWSA-N 2 2 285.388 -0.591 20 0 CBADLP COC(=O)[C@@]1(O)CC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000880564695 584280967 /nfs/dbraw/zinc/28/09/67/584280967.db2.gz DOUJRNPKOLDPHP-WCQYABFASA-N 2 2 272.345 -0.949 20 0 CBADLP COC(=O)[C@@]1(O)CC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000880564695 584280969 /nfs/dbraw/zinc/28/09/69/584280969.db2.gz DOUJRNPKOLDPHP-WCQYABFASA-N 2 2 272.345 -0.949 20 0 CBADLP COC(=O)[C@@]1(O)CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000880564695 584280972 /nfs/dbraw/zinc/28/09/72/584280972.db2.gz DOUJRNPKOLDPHP-WCQYABFASA-N 2 2 272.345 -0.949 20 0 CBADLP COC(=O)[C@@]1(O)CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000880564695 584280974 /nfs/dbraw/zinc/28/09/74/584280974.db2.gz DOUJRNPKOLDPHP-WCQYABFASA-N 2 2 272.345 -0.949 20 0 CBADLP CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000882485733 584318621 /nfs/dbraw/zinc/31/86/21/584318621.db2.gz LNGLAYJLNNEXEJ-QWHCGFSZSA-N 2 2 268.405 -0.167 20 0 CBADLP CC[N@H+]1CC[C@@H]1CNC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000882485733 584318622 /nfs/dbraw/zinc/31/86/22/584318622.db2.gz LNGLAYJLNNEXEJ-QWHCGFSZSA-N 2 2 268.405 -0.167 20 0 CBADLP CC[N@@H+]1CC[C@H]1CNS(=O)(=O)CCn1cc[nH+]c1 ZINC000882763199 584324795 /nfs/dbraw/zinc/32/47/95/584324795.db2.gz HEKIZWBQLSFHMM-NSHDSACASA-N 2 2 272.374 -0.103 20 0 CBADLP CC[N@H+]1CC[C@H]1CNS(=O)(=O)CCn1cc[nH+]c1 ZINC000882763199 584324797 /nfs/dbraw/zinc/32/47/97/584324797.db2.gz HEKIZWBQLSFHMM-NSHDSACASA-N 2 2 272.374 -0.103 20 0 CBADLP CC[N@@H+]1CC[C@H]1CNS(=O)(=O)C[C@@H]1C[NH+](C)CCO1 ZINC000882763419 584324828 /nfs/dbraw/zinc/32/48/28/584324828.db2.gz NTAOMFSEAWNNJM-RYUDHWBXSA-N 2 2 291.417 -0.669 20 0 CBADLP CC[N@H+]1CC[C@H]1CNS(=O)(=O)C[C@@H]1C[NH+](C)CCO1 ZINC000882763419 584324830 /nfs/dbraw/zinc/32/48/30/584324830.db2.gz NTAOMFSEAWNNJM-RYUDHWBXSA-N 2 2 291.417 -0.669 20 0 CBADLP CC[NH+]1CC[C@H]1CNS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000882763419 584324831 /nfs/dbraw/zinc/32/48/31/584324831.db2.gz NTAOMFSEAWNNJM-RYUDHWBXSA-N 2 2 291.417 -0.669 20 0 CBADLP CC[NH+]1CC[C@H]1CNS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000882763419 584324832 /nfs/dbraw/zinc/32/48/32/584324832.db2.gz NTAOMFSEAWNNJM-RYUDHWBXSA-N 2 2 291.417 -0.669 20 0 CBADLP Cc1nonc1C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000883425361 584341686 /nfs/dbraw/zinc/34/16/86/584341686.db2.gz SJDQWMUWRSKCTP-NSHDSACASA-N 2 2 279.344 -0.226 20 0 CBADLP Cc1nonc1C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000883425361 584341687 /nfs/dbraw/zinc/34/16/87/584341687.db2.gz SJDQWMUWRSKCTP-NSHDSACASA-N 2 2 279.344 -0.226 20 0 CBADLP CCOCC[NH+]1CCN(C(=O)[C@H]([NH3+])CCOC)CC1 ZINC000884184879 584364699 /nfs/dbraw/zinc/36/46/99/584364699.db2.gz CSLUFUQGAFMJAD-GFCCVEGCSA-N 2 2 273.377 -0.469 20 0 CBADLP COCC[C@@H]([NH3+])C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000884196974 584365678 /nfs/dbraw/zinc/36/56/78/584365678.db2.gz GUZLFTHOVVCVRR-QWHCGFSZSA-N 2 2 285.388 -0.327 20 0 CBADLP COCC[C@H]([NH3+])C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000884206268 584366759 /nfs/dbraw/zinc/36/67/59/584366759.db2.gz QMAZZKRBIJKLBF-MNOVXSKESA-N 2 2 259.350 -0.813 20 0 CBADLP COCC[C@H]([NH3+])C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000884206268 584366762 /nfs/dbraw/zinc/36/67/62/584366762.db2.gz QMAZZKRBIJKLBF-MNOVXSKESA-N 2 2 259.350 -0.813 20 0 CBADLP C[C@H](NC(=O)c1ncoc1C[NH3+])[C@H](C)[NH+]1CCOCC1 ZINC000884212800 584367611 /nfs/dbraw/zinc/36/76/11/584367611.db2.gz MKVQDRDNEBKYMF-UWVGGRQHSA-N 2 2 282.344 -0.028 20 0 CBADLP COCC[C@H]([NH3+])C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000884212578 584367713 /nfs/dbraw/zinc/36/77/13/584367713.db2.gz IZOHMDZEIZCADI-UTUOFQBUSA-N 2 2 273.377 -0.424 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1C[NH2+]CC1(C)C)[NH+]1CCN(C)CC1 ZINC000884234954 584368948 /nfs/dbraw/zinc/36/89/48/584368948.db2.gz IVCZNRPKTRULKK-STQMWFEESA-N 2 2 282.432 -0.016 20 0 CBADLP CO[C@@H](C[NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000884412645 584380121 /nfs/dbraw/zinc/38/01/21/584380121.db2.gz XHKZRUYGEWUADS-KGLIPLIRSA-N 3 2 298.431 -0.413 20 0 CBADLP CO[C@@H](C[NH3+])C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000884412645 584380122 /nfs/dbraw/zinc/38/01/22/584380122.db2.gz XHKZRUYGEWUADS-KGLIPLIRSA-N 3 2 298.431 -0.413 20 0 CBADLP C[NH2+]CCNC(=O)C(=O)N1CCN(C)c2[nH+]cccc2C1 ZINC000884686213 584396078 /nfs/dbraw/zinc/39/60/78/584396078.db2.gz AJQGTFKELHVDMP-UHFFFAOYSA-N 2 2 291.355 -0.804 20 0 CBADLP C[NH2+]CCNC(=O)C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000884686675 584396405 /nfs/dbraw/zinc/39/64/05/584396405.db2.gz SJVQTDGYPMFUMS-ZDUSSCGKSA-N 2 2 290.367 -0.375 20 0 CBADLP C[NH2+]CCNC(=O)C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000884686675 584396407 /nfs/dbraw/zinc/39/64/07/584396407.db2.gz SJVQTDGYPMFUMS-ZDUSSCGKSA-N 2 2 290.367 -0.375 20 0 CBADLP C[N@H+](CCO)CCNc1cc(-n2cc[nH+]c2)ncn1 ZINC000884825002 584404327 /nfs/dbraw/zinc/40/43/27/584404327.db2.gz ZPOAYKLSERVIAN-UHFFFAOYSA-N 2 2 262.317 -0.002 20 0 CBADLP C[N@@H+](CCO)CCNc1cc(-n2cc[nH+]c2)ncn1 ZINC000884825002 584404329 /nfs/dbraw/zinc/40/43/29/584404329.db2.gz ZPOAYKLSERVIAN-UHFFFAOYSA-N 2 2 262.317 -0.002 20 0 CBADLP CN(C)c1[nH+]cc(C[NH2+][C@@H]2C[C@@H](O)[C@@H](O)C2)n1C ZINC000886247487 584435123 /nfs/dbraw/zinc/43/51/23/584435123.db2.gz SHEFBLSCBLQAAB-UIKWRGBMSA-N 2 2 254.334 -0.540 20 0 CBADLP COC(=O)[C@@H]1CC[C@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)C1 ZINC000886516444 584441838 /nfs/dbraw/zinc/44/18/38/584441838.db2.gz ICWBUISIARKCFC-NEPJUHHUSA-N 2 2 283.372 -0.308 20 0 CBADLP CNC(=O)NC(=O)C[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886865495 584449955 /nfs/dbraw/zinc/44/99/55/584449955.db2.gz MBCPLAFWXXXAEP-CYBMUJFWSA-N 2 2 268.361 -0.092 20 0 CBADLP CNC(=O)NC(=O)C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886865495 584449956 /nfs/dbraw/zinc/44/99/56/584449956.db2.gz MBCPLAFWXXXAEP-CYBMUJFWSA-N 2 2 268.361 -0.092 20 0 CBADLP CC[C@H](C)[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)C(N)=O ZINC000887061041 584459538 /nfs/dbraw/zinc/45/95/38/584459538.db2.gz HWGIHZRWHQUKJQ-SRVKXCTJSA-N 2 2 257.378 -0.067 20 0 CBADLP CCN(C(=O)C(=O)N1CC[NH+](CC)CC1)[C@@H]1CC[NH2+]C1 ZINC000887066882 584460926 /nfs/dbraw/zinc/46/09/26/584460926.db2.gz WDVFBAHBKSRACA-GFCCVEGCSA-N 2 2 282.388 -0.639 20 0 CBADLP CN1CCN(C(=O)[C@]2(C)C[C@@H](O)C[NH+]2C)CC[N@H+](C)CC1 ZINC000888979452 584509967 /nfs/dbraw/zinc/50/99/67/584509967.db2.gz TZUVELWGWBYFFJ-HIFRSBDPSA-N 2 2 298.431 -0.853 20 0 CBADLP CN1CCN(C(=O)[C@]2(C)C[C@@H](O)C[NH+]2C)CC[N@@H+](C)CC1 ZINC000888979452 584509969 /nfs/dbraw/zinc/50/99/69/584509969.db2.gz TZUVELWGWBYFFJ-HIFRSBDPSA-N 2 2 298.431 -0.853 20 0 CBADLP CN1CCN(C(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)CC[NH+](C)CC1 ZINC000888979452 584509970 /nfs/dbraw/zinc/50/99/70/584509970.db2.gz TZUVELWGWBYFFJ-HIFRSBDPSA-N 2 2 298.431 -0.853 20 0 CBADLP CN1CCN(C(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)CC[NH+](C)CC1 ZINC000888979452 584509972 /nfs/dbraw/zinc/50/99/72/584509972.db2.gz TZUVELWGWBYFFJ-HIFRSBDPSA-N 2 2 298.431 -0.853 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC000888986574 584511486 /nfs/dbraw/zinc/51/14/86/584511486.db2.gz MGGSHWDVHAFYQT-UHFFFAOYSA-N 2 2 279.388 -0.332 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC000888986574 584511487 /nfs/dbraw/zinc/51/14/87/584511487.db2.gz MGGSHWDVHAFYQT-UHFFFAOYSA-N 2 2 279.388 -0.332 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000891350416 584579551 /nfs/dbraw/zinc/57/95/51/584579551.db2.gz RIBDBLXJTVRPAZ-IJLUTSLNSA-N 2 2 270.377 -0.256 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000891350418 584579571 /nfs/dbraw/zinc/57/95/71/584579571.db2.gz RIBDBLXJTVRPAZ-SDDRHHMPSA-N 2 2 270.377 -0.256 20 0 CBADLP CN1CC[N@H+](C)[C@H](CNC(=O)NCCC(C)(C)[NH3+])C1 ZINC000891540795 584584971 /nfs/dbraw/zinc/58/49/71/584584971.db2.gz XQTHAMUPOGBXEG-LLVKDONJSA-N 2 2 271.409 -0.341 20 0 CBADLP CN1CC[N@@H+](C)[C@H](CNC(=O)NCCC(C)(C)[NH3+])C1 ZINC000891540795 584584975 /nfs/dbraw/zinc/58/49/75/584584975.db2.gz XQTHAMUPOGBXEG-LLVKDONJSA-N 2 2 271.409 -0.341 20 0 CBADLP CNC(=O)C[NH+]1CCN(c2nccn3c[nH+]cc23)CC1 ZINC000891562196 584586323 /nfs/dbraw/zinc/58/63/23/584586323.db2.gz KTTDZAYLHABBAR-UHFFFAOYSA-N 2 2 274.328 -0.403 20 0 CBADLP COCC[NH2+]CCNC(=O)NCc1c[nH+]cn1C ZINC000892055234 584601919 /nfs/dbraw/zinc/60/19/19/584601919.db2.gz IJYURTOMYJBRKT-UHFFFAOYSA-N 2 2 255.322 -0.545 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000892287174 584612371 /nfs/dbraw/zinc/61/23/71/584612371.db2.gz IGYIFDABXMTPFJ-XQQFMLRXSA-N 2 2 282.388 -0.147 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000892287174 584612374 /nfs/dbraw/zinc/61/23/74/584612374.db2.gz IGYIFDABXMTPFJ-XQQFMLRXSA-N 2 2 282.388 -0.147 20 0 CBADLP C[C@@H]1C[C@H](NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])[C@@H](C)O1 ZINC000892425505 584616665 /nfs/dbraw/zinc/61/66/65/584616665.db2.gz OGKIPSQATKPENQ-WYUUTHIRSA-N 2 2 270.377 -0.163 20 0 CBADLP C[C@@H]1C[C@H](NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])[C@@H](C)O1 ZINC000892425505 584616667 /nfs/dbraw/zinc/61/66/67/584616667.db2.gz OGKIPSQATKPENQ-WYUUTHIRSA-N 2 2 270.377 -0.163 20 0 CBADLP [NH3+][C@H]1C[C@@H](CNC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000892547983 584617911 /nfs/dbraw/zinc/61/79/11/584617911.db2.gz IAKQRQPKFSUSMP-FRRDWIJNSA-N 2 2 282.388 -0.160 20 0 CBADLP [NH3+][C@H]1C[C@H](CNC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000892567083 584619205 /nfs/dbraw/zinc/61/92/05/584619205.db2.gz PXKLHVNJNALWMQ-ROTMJFINSA-N 2 2 282.388 -0.114 20 0 CBADLP [NH3+][C@H]1C[C@H](CNC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000892567083 584619207 /nfs/dbraw/zinc/61/92/07/584619207.db2.gz PXKLHVNJNALWMQ-ROTMJFINSA-N 2 2 282.388 -0.114 20 0 CBADLP COC(=O)[C@H]1CN(c2nc(N)cc(C)[nH+]2)CC[N@H+](C)C1 ZINC000894189449 584653507 /nfs/dbraw/zinc/65/35/07/584653507.db2.gz INFVBEAAORDXAR-SNVBAGLBSA-N 2 2 279.344 -0.092 20 0 CBADLP COC(=O)[C@H]1CN(c2nc(N)cc(C)[nH+]2)CC[N@@H+](C)C1 ZINC000894189449 584653509 /nfs/dbraw/zinc/65/35/09/584653509.db2.gz INFVBEAAORDXAR-SNVBAGLBSA-N 2 2 279.344 -0.092 20 0 CBADLP Nc1nc(N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)nc(C2CC2)[nH+]1 ZINC000894430501 584657847 /nfs/dbraw/zinc/65/78/47/584657847.db2.gz XLXWFDKHRVIEDZ-VHSXEESVSA-N 2 2 276.344 -0.414 20 0 CBADLP Nc1nc(N2CC[N@H+]3C[C@H](O)C[C@H]3C2)nc(C2CC2)[nH+]1 ZINC000894430501 584657850 /nfs/dbraw/zinc/65/78/50/584657850.db2.gz XLXWFDKHRVIEDZ-VHSXEESVSA-N 2 2 276.344 -0.414 20 0 CBADLP C[N@@H+]1CCN(c2cc(-n3cc[nH+]c3)ncn2)C[C@@H]1CO ZINC000894886971 584666832 /nfs/dbraw/zinc/66/68/32/584666832.db2.gz YEDPFGXBJOUJEX-LLVKDONJSA-N 2 2 274.328 -0.225 20 0 CBADLP C[N@H+]1CCN(c2cc(-n3cc[nH+]c3)ncn2)C[C@@H]1CO ZINC000894886971 584666834 /nfs/dbraw/zinc/66/68/34/584666834.db2.gz YEDPFGXBJOUJEX-LLVKDONJSA-N 2 2 274.328 -0.225 20 0 CBADLP CC[C@@H](CO)Nc1cc(NCC[N@H+](C)CCO)nc[nH+]1 ZINC000895241503 584673812 /nfs/dbraw/zinc/67/38/12/584673812.db2.gz RZZXCPOOELZJEC-NSHDSACASA-N 2 2 283.376 -0.005 20 0 CBADLP CC[C@@H](CO)Nc1cc(NCC[N@@H+](C)CCO)nc[nH+]1 ZINC000895241503 584673815 /nfs/dbraw/zinc/67/38/15/584673815.db2.gz RZZXCPOOELZJEC-NSHDSACASA-N 2 2 283.376 -0.005 20 0 CBADLP CN(C)c1[nH+]cc(C[N@@H+]2C[C@@H](O)C[C@@]2(C)CO)n1C ZINC000895326435 584676120 /nfs/dbraw/zinc/67/61/20/584676120.db2.gz XNULRDVCPMGHAM-AAEUAGOBSA-N 2 2 268.361 -0.196 20 0 CBADLP CN(C)c1[nH+]cc(C[N@H+]2C[C@@H](O)C[C@@]2(C)CO)n1C ZINC000895326435 584676121 /nfs/dbraw/zinc/67/61/21/584676121.db2.gz XNULRDVCPMGHAM-AAEUAGOBSA-N 2 2 268.361 -0.196 20 0 CBADLP CN(C)c1[nH+]cc(C[N@@H+]2C[C@@H](O)C[C@]2(C)CO)n1C ZINC000895326437 584676176 /nfs/dbraw/zinc/67/61/76/584676176.db2.gz XNULRDVCPMGHAM-WCQYABFASA-N 2 2 268.361 -0.196 20 0 CBADLP CN(C)c1[nH+]cc(C[N@H+]2C[C@@H](O)C[C@]2(C)CO)n1C ZINC000895326437 584676178 /nfs/dbraw/zinc/67/61/78/584676178.db2.gz XNULRDVCPMGHAM-WCQYABFASA-N 2 2 268.361 -0.196 20 0 CBADLP O=C(NCCC[NH+]1CCOCC1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000895465525 584679917 /nfs/dbraw/zinc/67/99/17/584679917.db2.gz ONWKUIPWXPWMPG-AWEZNQCLSA-N 2 2 297.399 -0.454 20 0 CBADLP O=C(NCCC[NH+]1CCOCC1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000895465526 584679965 /nfs/dbraw/zinc/67/99/65/584679965.db2.gz ONWKUIPWXPWMPG-CQSZACIVSA-N 2 2 297.399 -0.454 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000897146304 584709081 /nfs/dbraw/zinc/70/90/81/584709081.db2.gz QBGZATKDBVOCQE-VXGBXAGGSA-N 2 2 252.362 -0.803 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000897146304 584709082 /nfs/dbraw/zinc/70/90/82/584709082.db2.gz QBGZATKDBVOCQE-VXGBXAGGSA-N 2 2 252.362 -0.803 20 0 CBADLP CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)NCCC[NH+]1CCNC(=O)C1 ZINC000897175588 584709346 /nfs/dbraw/zinc/70/93/46/584709346.db2.gz WFJOJZTUCFEUMD-GFCCVEGCSA-N 2 2 296.415 -0.203 20 0 CBADLP CC(C)(C)[N@H+]1CC[C@@H]1C(=O)NCCC[NH+]1CCNC(=O)C1 ZINC000897175588 584709347 /nfs/dbraw/zinc/70/93/47/584709347.db2.gz WFJOJZTUCFEUMD-GFCCVEGCSA-N 2 2 296.415 -0.203 20 0 CBADLP CC(C)(C)[NH+]1CC[C@@H]1C(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000897175588 584709349 /nfs/dbraw/zinc/70/93/49/584709349.db2.gz WFJOJZTUCFEUMD-GFCCVEGCSA-N 2 2 296.415 -0.203 20 0 CBADLP CC(C)(C)[NH+]1CC[C@@H]1C(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000897175588 584709351 /nfs/dbraw/zinc/70/93/51/584709351.db2.gz WFJOJZTUCFEUMD-GFCCVEGCSA-N 2 2 296.415 -0.203 20 0 CBADLP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000897318636 584712918 /nfs/dbraw/zinc/71/29/18/584712918.db2.gz LJRFELPFDQHSPH-GFCCVEGCSA-N 2 2 293.371 -0.400 20 0 CBADLP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000897318636 584712920 /nfs/dbraw/zinc/71/29/20/584712920.db2.gz LJRFELPFDQHSPH-GFCCVEGCSA-N 2 2 293.371 -0.400 20 0 CBADLP Cn1c[nH+]cc1CCNC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000897364519 584714214 /nfs/dbraw/zinc/71/42/14/584714214.db2.gz BEMJYWOSCYDZHF-CYBMUJFWSA-N 2 2 278.356 -0.201 20 0 CBADLP COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC000897444138 584716396 /nfs/dbraw/zinc/71/63/96/584716396.db2.gz VWQCSHSJLWJVRP-WDEREUQCSA-N 2 2 280.328 -0.365 20 0 CBADLP COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CCC[N@H+]1C ZINC000897444138 584716398 /nfs/dbraw/zinc/71/63/98/584716398.db2.gz VWQCSHSJLWJVRP-WDEREUQCSA-N 2 2 280.328 -0.365 20 0 CBADLP C[C@@H]1CN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)CC[N@@H+]1CCO ZINC000897456607 584717045 /nfs/dbraw/zinc/71/70/45/584717045.db2.gz ZXKCPFABNWHQFS-TZMCWYRMSA-N 2 2 297.399 -0.768 20 0 CBADLP C[C@@H]1CN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)CC[N@H+]1CCO ZINC000897456607 584717047 /nfs/dbraw/zinc/71/70/47/584717047.db2.gz ZXKCPFABNWHQFS-TZMCWYRMSA-N 2 2 297.399 -0.768 20 0 CBADLP COCC[NH+]1CCN(C(=O)NCc2cn(C)c[nH+]2)CC1 ZINC000898633361 584739950 /nfs/dbraw/zinc/73/99/50/584739950.db2.gz WTWIEXNTXWTCPS-UHFFFAOYSA-N 2 2 281.360 -0.106 20 0 CBADLP CC[C@@H](C(=O)N[C@@H](CO)c1c[nH+]cn1C)[NH+](C)C ZINC000898886532 584744323 /nfs/dbraw/zinc/74/43/23/584744323.db2.gz FKHCPBQXGSOYBA-UWVGGRQHSA-N 2 2 254.334 -0.090 20 0 CBADLP C[NH+](C)CC(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000899056726 584748817 /nfs/dbraw/zinc/74/88/17/584748817.db2.gz HKHSXWHKLASZTK-UHFFFAOYSA-N 2 2 257.334 -0.887 20 0 CBADLP C[NH+](C)CC(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000899056726 584748818 /nfs/dbraw/zinc/74/88/18/584748818.db2.gz HKHSXWHKLASZTK-UHFFFAOYSA-N 2 2 257.334 -0.887 20 0 CBADLP [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)NCC[NH+]1CCOCC1)C2 ZINC000899248407 584754600 /nfs/dbraw/zinc/75/46/00/584754600.db2.gz PCEPRFZZRXCLIF-AVGNSLFASA-N 2 2 282.388 -0.160 20 0 CBADLP COCCN1C(=O)C[C@H]([N@@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)C1=O ZINC000899253599 584754993 /nfs/dbraw/zinc/75/49/93/584754993.db2.gz LZGVEPITSPZCTF-SLEUVZQESA-N 2 2 295.383 -0.356 20 0 CBADLP COCCN1C(=O)C[C@H]([N@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)C1=O ZINC000899253599 584754995 /nfs/dbraw/zinc/75/49/95/584754995.db2.gz LZGVEPITSPZCTF-SLEUVZQESA-N 2 2 295.383 -0.356 20 0 CBADLP COCCN1C(=O)C[C@H]([NH+]2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)C1=O ZINC000899253599 584754997 /nfs/dbraw/zinc/75/49/97/584754997.db2.gz LZGVEPITSPZCTF-SLEUVZQESA-N 2 2 295.383 -0.356 20 0 CBADLP COCCN1C(=O)C[C@H]([NH+]2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)C1=O ZINC000899253599 584754999 /nfs/dbraw/zinc/75/49/99/584754999.db2.gz LZGVEPITSPZCTF-SLEUVZQESA-N 2 2 295.383 -0.356 20 0 CBADLP C[N@H+](CCO)CCNC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000899737064 584777546 /nfs/dbraw/zinc/77/75/46/584777546.db2.gz WMASDDCLUZSQLO-UHFFFAOYSA-N 2 2 285.388 -0.718 20 0 CBADLP C[N@@H+](CCO)CCNC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000899737064 584777548 /nfs/dbraw/zinc/77/75/48/584777548.db2.gz WMASDDCLUZSQLO-UHFFFAOYSA-N 2 2 285.388 -0.718 20 0 CBADLP C[N@H+](CCO)CCNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000899739192 584779101 /nfs/dbraw/zinc/77/91/01/584779101.db2.gz SGJHYARNIFSRDX-SNVBAGLBSA-N 2 2 266.345 -0.445 20 0 CBADLP C[N@@H+](CCO)CCNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000899739192 584779102 /nfs/dbraw/zinc/77/91/02/584779102.db2.gz SGJHYARNIFSRDX-SNVBAGLBSA-N 2 2 266.345 -0.445 20 0 CBADLP C[N@H+](CCO)CCNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000899739192 584779103 /nfs/dbraw/zinc/77/91/03/584779103.db2.gz SGJHYARNIFSRDX-SNVBAGLBSA-N 2 2 266.345 -0.445 20 0 CBADLP C[N@@H+](CCO)CCNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000899739192 584779104 /nfs/dbraw/zinc/77/91/04/584779104.db2.gz SGJHYARNIFSRDX-SNVBAGLBSA-N 2 2 266.345 -0.445 20 0 CBADLP O[C@H](C[NH2+]CCC[NH+]1CCOCC1)C1(O)CCC1 ZINC000899856293 584781553 /nfs/dbraw/zinc/78/15/53/584781553.db2.gz RGEKLJZBYMYEJV-GFCCVEGCSA-N 2 2 258.362 -0.426 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)CC1 ZINC000899907841 584783785 /nfs/dbraw/zinc/78/37/85/584783785.db2.gz NHDRSMPPIOBOCN-YPMHNXCESA-N 2 2 255.362 -0.394 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)CC1 ZINC000899907841 584783787 /nfs/dbraw/zinc/78/37/87/584783787.db2.gz NHDRSMPPIOBOCN-YPMHNXCESA-N 2 2 255.362 -0.394 20 0 CBADLP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCCC[NH+]1CCOCC1 ZINC000899921363 584785326 /nfs/dbraw/zinc/78/53/26/584785326.db2.gz VAALXHDGIYGHDO-OCCSQVGLSA-N 2 2 285.388 -0.720 20 0 CBADLP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCCC[NH+]1CCOCC1 ZINC000899921363 584785327 /nfs/dbraw/zinc/78/53/27/584785327.db2.gz VAALXHDGIYGHDO-OCCSQVGLSA-N 2 2 285.388 -0.720 20 0 CBADLP C/C(=C\C(=O)NCC[NH+]1CCOCC1)C[NH+]1CCOCC1 ZINC000899928901 584785477 /nfs/dbraw/zinc/78/54/77/584785477.db2.gz VLJKTOKUKOHMLV-WYMLVPIESA-N 2 2 297.399 -0.287 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC000900210001 584795564 /nfs/dbraw/zinc/79/55/64/584795564.db2.gz WNRBBKULVVUUKR-DYEKYZERSA-N 2 2 285.388 -0.722 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC000900210001 584795566 /nfs/dbraw/zinc/79/55/66/584795566.db2.gz WNRBBKULVVUUKR-DYEKYZERSA-N 2 2 285.388 -0.722 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000900442739 584804216 /nfs/dbraw/zinc/80/42/16/584804216.db2.gz RBGBHUPSJKTZMX-VXGBXAGGSA-N 2 2 264.329 -0.068 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000900442739 584804217 /nfs/dbraw/zinc/80/42/17/584804217.db2.gz RBGBHUPSJKTZMX-VXGBXAGGSA-N 2 2 264.329 -0.068 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000900442739 584804218 /nfs/dbraw/zinc/80/42/18/584804218.db2.gz RBGBHUPSJKTZMX-VXGBXAGGSA-N 2 2 264.329 -0.068 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000900442739 584804219 /nfs/dbraw/zinc/80/42/19/584804219.db2.gz RBGBHUPSJKTZMX-VXGBXAGGSA-N 2 2 264.329 -0.068 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000900442734 584804233 /nfs/dbraw/zinc/80/42/33/584804233.db2.gz RBGBHUPSJKTZMX-NEPJUHHUSA-N 2 2 264.329 -0.068 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000900442734 584804234 /nfs/dbraw/zinc/80/42/34/584804234.db2.gz RBGBHUPSJKTZMX-NEPJUHHUSA-N 2 2 264.329 -0.068 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000900442734 584804235 /nfs/dbraw/zinc/80/42/35/584804235.db2.gz RBGBHUPSJKTZMX-NEPJUHHUSA-N 2 2 264.329 -0.068 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000900442734 584804236 /nfs/dbraw/zinc/80/42/36/584804236.db2.gz RBGBHUPSJKTZMX-NEPJUHHUSA-N 2 2 264.329 -0.068 20 0 CBADLP C[C@H]([C@H](C)NC(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C)[NH+]1CCOCC1 ZINC000900591052 584814599 /nfs/dbraw/zinc/81/45/99/584814599.db2.gz GINSANZQKBGYJZ-JLNYLFASSA-N 2 2 299.415 -0.333 20 0 CBADLP C[C@H]([C@H](C)NC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C)[NH+]1CCOCC1 ZINC000900591052 584814601 /nfs/dbraw/zinc/81/46/01/584814601.db2.gz GINSANZQKBGYJZ-JLNYLFASSA-N 2 2 299.415 -0.333 20 0 CBADLP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCCc1[nH]cc[nH+]1 ZINC000900646370 584818640 /nfs/dbraw/zinc/81/86/40/584818640.db2.gz APGSDZOUQPXIKF-SKDRFNHKSA-N 2 2 252.318 -0.477 20 0 CBADLP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCCc1[nH]cc[nH+]1 ZINC000900646370 584818641 /nfs/dbraw/zinc/81/86/41/584818641.db2.gz APGSDZOUQPXIKF-SKDRFNHKSA-N 2 2 252.318 -0.477 20 0 CBADLP C[C@H](CNC(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C)C[NH+]1CCOCC1 ZINC000900783852 584826690 /nfs/dbraw/zinc/82/66/90/584826690.db2.gz OZVNTPIACUWTCM-UMVBOHGHSA-N 2 2 299.415 -0.474 20 0 CBADLP C[C@H](CNC(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C)C[NH+]1CCOCC1 ZINC000900783852 584826691 /nfs/dbraw/zinc/82/66/91/584826691.db2.gz OZVNTPIACUWTCM-UMVBOHGHSA-N 2 2 299.415 -0.474 20 0 CBADLP CC[C@@H](CO)[NH+]1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000901147855 584852496 /nfs/dbraw/zinc/85/24/96/584852496.db2.gz UXUHXZLNHAAIAR-LBPRGKRZSA-N 2 2 266.345 -0.133 20 0 CBADLP C[NH+](C)C[C@](C)(O)CNC(=O)CNc1cccc[nH+]1 ZINC000901185038 584853862 /nfs/dbraw/zinc/85/38/62/584853862.db2.gz BGLCLRGKWSBQSE-CYBMUJFWSA-N 2 2 266.345 -0.078 20 0 CBADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902462150 584877363 /nfs/dbraw/zinc/87/73/63/584877363.db2.gz UCSLDGOVWRPUIW-RNWYCLNJSA-N 2 2 253.346 -0.238 20 0 CBADLP CCOC(=O)[C@H]1[NH2+]CC[C@@H]1N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902462149 584877373 /nfs/dbraw/zinc/87/73/73/584877373.db2.gz UCSLDGOVWRPUIW-MJDLHHQISA-N 2 2 253.346 -0.238 20 0 CBADLP CCOC(=O)[C@H]1[NH2+]CC[C@H]1N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902468285 584877437 /nfs/dbraw/zinc/87/74/37/584877437.db2.gz UCSLDGOVWRPUIW-ROHXPCBUSA-N 2 2 253.346 -0.238 20 0 CBADLP O=C1O[C@]2(CN1C[N@H+]1CC[C@H]1CO)C[NH+]1CCC2CC1 ZINC000902633362 584880814 /nfs/dbraw/zinc/88/08/14/584880814.db2.gz UHGXPWSRWFIVLG-JSGCOSHPSA-N 2 2 281.356 -0.073 20 0 CBADLP O=C1O[C@]2(CN1C[N@@H+]1CC[C@H]1CO)C[NH+]1CCC2CC1 ZINC000902633362 584880816 /nfs/dbraw/zinc/88/08/16/584880816.db2.gz UHGXPWSRWFIVLG-JSGCOSHPSA-N 2 2 281.356 -0.073 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@@]1(CO)COCCN1C ZINC000903280374 584889837 /nfs/dbraw/zinc/88/98/37/584889837.db2.gz NABSRYOCCVIGTQ-FRRDWIJNSA-N 2 2 257.378 -0.781 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@@]1(CO)COCCN1C ZINC000903280374 584889839 /nfs/dbraw/zinc/88/98/39/584889839.db2.gz NABSRYOCCVIGTQ-FRRDWIJNSA-N 2 2 257.378 -0.781 20 0 CBADLP CC(=O)NC[C@H]1C[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)CCO1 ZINC000903437112 584890275 /nfs/dbraw/zinc/89/02/75/584890275.db2.gz DSGDNKSTUSTYGO-WXHSDQCUSA-N 2 2 255.362 -0.321 20 0 CBADLP CC(=O)NC[C@H]1C[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)CCO1 ZINC000903437112 584890276 /nfs/dbraw/zinc/89/02/76/584890276.db2.gz DSGDNKSTUSTYGO-WXHSDQCUSA-N 2 2 255.362 -0.321 20 0 CBADLP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCN(c2nccnn2)CC1 ZINC000903464126 584890796 /nfs/dbraw/zinc/89/07/96/584890796.db2.gz ASUTUAYXUCJQCD-NEPJUHHUSA-N 2 2 262.361 -0.151 20 0 CBADLP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000903464396 584890874 /nfs/dbraw/zinc/89/08/74/584890874.db2.gz LVSVJFOBZKCMAZ-KGLIPLIRSA-N 3 2 295.431 -0.515 20 0 CBADLP O=C1CNC(=O)N1CC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903468062 584891032 /nfs/dbraw/zinc/89/10/32/584891032.db2.gz HLUXULBVFZTBIL-VIFPVBQESA-N 2 2 252.318 -0.588 20 0 CBADLP O=C(C[NH2+][C@H]1CC[NH2+]C12CCCC2)N1CC[NH2+]CC1 ZINC000903487676 584891462 /nfs/dbraw/zinc/89/14/62/584891462.db2.gz JHZYMXFLFVBYGS-LBPRGKRZSA-N 3 2 266.389 -0.318 20 0 CBADLP CCCN(C)S(=O)(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000903566037 584893381 /nfs/dbraw/zinc/89/33/81/584893381.db2.gz HSQJNYJJTAODSB-UHFFFAOYSA-N 2 2 278.422 -0.414 20 0 CBADLP C[N@H+](CCS(C)(=O)=O)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903725366 584895989 /nfs/dbraw/zinc/89/59/89/584895989.db2.gz ZAEMDGMIAHEEGT-NEPJUHHUSA-N 2 2 276.402 -0.269 20 0 CBADLP C[N@@H+](CCS(C)(=O)=O)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903725366 584895990 /nfs/dbraw/zinc/89/59/90/584895990.db2.gz ZAEMDGMIAHEEGT-NEPJUHHUSA-N 2 2 276.402 -0.269 20 0 CBADLP CC1(C)C(=O)NCC[N@H+]1C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903729063 584896141 /nfs/dbraw/zinc/89/61/41/584896141.db2.gz JJVIOGUQIITBLN-SMDDNHRTSA-N 2 2 267.373 -0.035 20 0 CBADLP CC1(C)C(=O)NCC[N@@H+]1C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903729063 584896142 /nfs/dbraw/zinc/89/61/42/584896142.db2.gz JJVIOGUQIITBLN-SMDDNHRTSA-N 2 2 267.373 -0.035 20 0 CBADLP C[C@H]1C(=O)NCC[N@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903727866 584896193 /nfs/dbraw/zinc/89/61/93/584896193.db2.gz YOJDNVRJFPNNLN-NWDGAFQWSA-N 2 2 267.373 -0.035 20 0 CBADLP C[C@H]1C(=O)NCC[N@@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903727866 584896194 /nfs/dbraw/zinc/89/61/94/584896194.db2.gz YOJDNVRJFPNNLN-NWDGAFQWSA-N 2 2 267.373 -0.035 20 0 CBADLP CC1(C)C(=O)NCC[N@H+]1C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903729058 584896261 /nfs/dbraw/zinc/89/62/61/584896261.db2.gz JJVIOGUQIITBLN-BXUZGUMPSA-N 2 2 267.373 -0.035 20 0 CBADLP CC1(C)C(=O)NCC[N@@H+]1C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903729058 584896263 /nfs/dbraw/zinc/89/62/63/584896263.db2.gz JJVIOGUQIITBLN-BXUZGUMPSA-N 2 2 267.373 -0.035 20 0 CBADLP [NH3+]C[C@H]1C[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CCO1 ZINC000903744520 584896760 /nfs/dbraw/zinc/89/67/60/584896760.db2.gz UIPJIEZBYSCDEI-STQMWFEESA-N 3 2 269.389 -0.195 20 0 CBADLP [NH3+]C[C@H]1C[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CCO1 ZINC000903744520 584896762 /nfs/dbraw/zinc/89/67/62/584896762.db2.gz UIPJIEZBYSCDEI-STQMWFEESA-N 3 2 269.389 -0.195 20 0 CBADLP CC(C)(C)[C@H](C[NH3+])[NH2+]CCN1CCCS1(=O)=O ZINC000903751569 584897325 /nfs/dbraw/zinc/89/73/25/584897325.db2.gz GSXCCBXHYYISMW-JTQLQIEISA-N 2 2 263.407 -0.015 20 0 CBADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CCN1CCCS1(=O)=O ZINC000903751953 584897351 /nfs/dbraw/zinc/89/73/51/584897351.db2.gz JRVONIPTCATXEC-WOPDTQHZSA-N 2 2 275.418 -0.002 20 0 CBADLP C[C@@H]1C[N@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC(=O)N1 ZINC000903768692 584898105 /nfs/dbraw/zinc/89/81/05/584898105.db2.gz PJKBWPLFTOYVTC-NQBHXWOUSA-N 2 2 253.346 -0.425 20 0 CBADLP C[C@@H]1C[N@@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC(=O)N1 ZINC000903768692 584898107 /nfs/dbraw/zinc/89/81/07/584898107.db2.gz PJKBWPLFTOYVTC-NQBHXWOUSA-N 2 2 253.346 -0.425 20 0 CBADLP C[N@H+](CCN1C(=O)NC(C)(C)C1=O)C1(C[NH3+])CCOCC1 ZINC000903807785 584900341 /nfs/dbraw/zinc/90/03/41/584900341.db2.gz TYGPDOJKMNAVKP-UHFFFAOYSA-N 2 2 298.387 -0.244 20 0 CBADLP C[N@@H+](CCN1C(=O)NC(C)(C)C1=O)C1(C[NH3+])CCOCC1 ZINC000903807785 584900343 /nfs/dbraw/zinc/90/03/43/584900343.db2.gz TYGPDOJKMNAVKP-UHFFFAOYSA-N 2 2 298.387 -0.244 20 0 CBADLP Cn1nnnc1CC[N@@H+]1CCC[C@@H]2CC[C@]21C[NH3+] ZINC000903802319 584900349 /nfs/dbraw/zinc/90/03/49/584900349.db2.gz RTULZLJEUXHNBN-PWSUYJOCSA-N 2 2 250.350 -0.044 20 0 CBADLP Cn1nnnc1CC[N@H+]1CCC[C@@H]2CC[C@]21C[NH3+] ZINC000903802319 584900351 /nfs/dbraw/zinc/90/03/51/584900351.db2.gz RTULZLJEUXHNBN-PWSUYJOCSA-N 2 2 250.350 -0.044 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N(CC[NH2+]C)C(C)C)CC1 ZINC000903805854 584900361 /nfs/dbraw/zinc/90/03/61/584900361.db2.gz KNFAZLKUJWJBON-UHFFFAOYSA-N 2 2 284.404 -0.393 20 0 CBADLP C[NH2+]CCN(C(=O)C(=O)N1CC[NH+](C)CC1)C(C)C ZINC000903807128 584900364 /nfs/dbraw/zinc/90/03/64/584900364.db2.gz VLCKVOOYDLRKTN-UHFFFAOYSA-N 2 2 270.377 -0.783 20 0 CBADLP Cn1nccc1[C@H]1C[N@H+](CCOCC[NH3+])CCO1 ZINC000903823389 584900789 /nfs/dbraw/zinc/90/07/89/584900789.db2.gz GDBZCIWZRLPYQF-GFCCVEGCSA-N 2 2 254.334 -0.231 20 0 CBADLP Cn1nccc1[C@H]1C[N@@H+](CCOCC[NH3+])CCO1 ZINC000903823389 584900791 /nfs/dbraw/zinc/90/07/91/584900791.db2.gz GDBZCIWZRLPYQF-GFCCVEGCSA-N 2 2 254.334 -0.231 20 0 CBADLP CN(C)C(=O)C[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903817822 584900810 /nfs/dbraw/zinc/90/08/10/584900810.db2.gz KVIRMPHSPFYOCH-UHFFFAOYSA-N 2 2 255.362 -0.081 20 0 CBADLP CN(C)C(=O)C[N@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903817822 584900812 /nfs/dbraw/zinc/90/08/12/584900812.db2.gz KVIRMPHSPFYOCH-UHFFFAOYSA-N 2 2 255.362 -0.081 20 0 CBADLP CNS(=O)(=O)CCC[N@@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903855592 584902079 /nfs/dbraw/zinc/90/20/79/584902079.db2.gz NPUBPGCAZTUZDG-MNOVXSKESA-N 2 2 261.391 -0.261 20 0 CBADLP CNS(=O)(=O)CCC[N@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903855592 584902080 /nfs/dbraw/zinc/90/20/80/584902080.db2.gz NPUBPGCAZTUZDG-MNOVXSKESA-N 2 2 261.391 -0.261 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@@H]3CC[C@]32C[NH3+])CC1 ZINC000903856590 584902291 /nfs/dbraw/zinc/90/22/91/584902291.db2.gz AFLWDPSBWHSTRQ-ZFWWWQNUSA-N 3 2 280.416 -0.036 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@@H]3CC[C@]32C[NH3+])CC1 ZINC000903856590 584902292 /nfs/dbraw/zinc/90/22/92/584902292.db2.gz AFLWDPSBWHSTRQ-ZFWWWQNUSA-N 3 2 280.416 -0.036 20 0 CBADLP COCCOC[C@@H](O)C[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903871443 584902850 /nfs/dbraw/zinc/90/28/50/584902850.db2.gz UORPMYZAPGBMFQ-QWHCGFSZSA-N 2 2 258.362 -0.162 20 0 CBADLP COCCOC[C@@H](O)C[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903871443 584902851 /nfs/dbraw/zinc/90/28/51/584902851.db2.gz UORPMYZAPGBMFQ-QWHCGFSZSA-N 2 2 258.362 -0.162 20 0 CBADLP CCOC(=O)[C@H]1C[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000903874646 584903095 /nfs/dbraw/zinc/90/30/95/584903095.db2.gz GMWAITTYJXEUNC-VXGBXAGGSA-N 2 2 284.356 -0.229 20 0 CBADLP CCOC(=O)[C@H]1C[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000903874646 584903097 /nfs/dbraw/zinc/90/30/97/584903097.db2.gz GMWAITTYJXEUNC-VXGBXAGGSA-N 2 2 284.356 -0.229 20 0 CBADLP [NH3+][C@@H](CC(F)F)CN(CCO)CC[NH+]1CCOCC1 ZINC000903885430 584904000 /nfs/dbraw/zinc/90/40/00/584904000.db2.gz HONCIWXRJHZRKY-NSHDSACASA-N 2 2 281.347 -0.405 20 0 CBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C[C@@H]([NH3+])CC(F)F ZINC000903895410 584904248 /nfs/dbraw/zinc/90/42/48/584904248.db2.gz NIFQOGOCQJSSAG-WDEREUQCSA-N 2 2 281.347 -0.406 20 0 CBADLP C[N@H+](C[C@@H]([NH3+])CC(F)F)C[C@@H](O)CN1CCOCC1 ZINC000903895410 584904250 /nfs/dbraw/zinc/90/42/50/584904250.db2.gz NIFQOGOCQJSSAG-WDEREUQCSA-N 2 2 281.347 -0.406 20 0 CBADLP C[N@@H+](C[C@@H]([NH3+])CC(F)F)C[C@@H](O)CN1CCOCC1 ZINC000903895410 584904252 /nfs/dbraw/zinc/90/42/52/584904252.db2.gz NIFQOGOCQJSSAG-WDEREUQCSA-N 2 2 281.347 -0.406 20 0 CBADLP C[N@@H+]1CCN(Cc2cnnn2[C@@H]2CCC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000903918225 584904535 /nfs/dbraw/zinc/90/45/35/584904535.db2.gz VLALRROOHOMQON-CHWSQXEVSA-N 3 2 293.419 -0.723 20 0 CBADLP C[N@H+]1CCN(Cc2cnnn2[C@@H]2CCC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000903918225 584904536 /nfs/dbraw/zinc/90/45/36/584904536.db2.gz VLALRROOHOMQON-CHWSQXEVSA-N 3 2 293.419 -0.723 20 0 CBADLP O=S1(=O)CCNC[C@H]1CC[NH2+][C@@H]1CCC[NH2+]C1 ZINC000903969620 584905260 /nfs/dbraw/zinc/90/52/60/584905260.db2.gz HUBGXENPOBKEAV-GHMZBOCLSA-N 2 2 261.391 -0.895 20 0 CBADLP CC(C)(C)[NH2+]CC[NH2+]CC[C@@H]1CNCCS1(=O)=O ZINC000903969838 584905323 /nfs/dbraw/zinc/90/53/23/584905323.db2.gz MCSVUKOHDXTNOT-LLVKDONJSA-N 2 2 277.434 -0.259 20 0 CBADLP Cn1cc(C[N@@H+]2C[C@@H]([NH3+])C(C)(C)C2)c(=O)n(C)c1=O ZINC000903984755 584905453 /nfs/dbraw/zinc/90/54/53/584905453.db2.gz YUJDGKFIBGHWJB-SNVBAGLBSA-N 2 2 266.345 -0.747 20 0 CBADLP Cn1cc(C[N@H+]2C[C@@H]([NH3+])C(C)(C)C2)c(=O)n(C)c1=O ZINC000903984755 584905455 /nfs/dbraw/zinc/90/54/55/584905455.db2.gz YUJDGKFIBGHWJB-SNVBAGLBSA-N 2 2 266.345 -0.747 20 0 CBADLP CC(C)(C(=O)N1CC[C@@H]([NH2+]CC(N)=O)C1)c1c[nH+]c[nH]1 ZINC000970485718 614293306 /nfs/dbraw/zinc/29/33/06/614293306.db2.gz YROZCYZOJJHDSO-SECBINFHSA-N 2 2 279.344 -0.637 20 0 CBADLP CCN(C(=O)[C@@H]1C[N@H+](C)C[C@H]1C)C1C[NH+](CCO)C1 ZINC000951750028 614636443 /nfs/dbraw/zinc/63/64/43/614636443.db2.gz NPFINCJDULHZBG-DGCLKSJQSA-N 2 2 269.389 -0.291 20 0 CBADLP CCN(C(=O)[C@@H]1C[N@@H+](C)C[C@H]1C)C1C[NH+](CCO)C1 ZINC000951750028 614636445 /nfs/dbraw/zinc/63/64/45/614636445.db2.gz NPFINCJDULHZBG-DGCLKSJQSA-N 2 2 269.389 -0.291 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](C[C@@H](C)OC)CC2)C1 ZINC000957721074 615181007 /nfs/dbraw/zinc/18/10/07/615181007.db2.gz VRBAZAOOZPLEGL-KGLIPLIRSA-N 2 2 299.415 -0.114 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[NH+](C[C@@H](C)OC)CC2)C1 ZINC000957721074 615181008 /nfs/dbraw/zinc/18/10/08/615181008.db2.gz VRBAZAOOZPLEGL-KGLIPLIRSA-N 2 2 299.415 -0.114 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[NH+]([C@H](C)COC)CC2)C1 ZINC000957723821 615181161 /nfs/dbraw/zinc/18/11/61/615181161.db2.gz CANJUHRHHZZHHS-KGLIPLIRSA-N 2 2 299.415 -0.114 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[NH+]([C@H](C)COC)CC2)C1 ZINC000957723821 615181162 /nfs/dbraw/zinc/18/11/62/615181162.db2.gz CANJUHRHHZZHHS-KGLIPLIRSA-N 2 2 299.415 -0.114 20 0 CBADLP CC[C@@H](C(=O)N1CC[NH+](CCCO)CC1)[NH+](C)C ZINC000950548303 615371305 /nfs/dbraw/zinc/37/13/05/615371305.db2.gz DOMBNEJKLRSEMZ-LBPRGKRZSA-N 2 2 257.378 -0.147 20 0 CBADLP CC[C@H](C(N)=O)[N@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000972426226 615614991 /nfs/dbraw/zinc/61/49/91/615614991.db2.gz KXDOLBNVJLFIGH-VXGBXAGGSA-N 2 2 293.371 -0.251 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000972426226 615614994 /nfs/dbraw/zinc/61/49/94/615614994.db2.gz KXDOLBNVJLFIGH-VXGBXAGGSA-N 2 2 293.371 -0.251 20 0 CBADLP CC[C@H](C(N)=O)[N@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000980539347 615615275 /nfs/dbraw/zinc/61/52/75/615615275.db2.gz QBLSXPRWQUMUBX-VXGBXAGGSA-N 2 2 293.371 -0.320 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000980539347 615615277 /nfs/dbraw/zinc/61/52/77/615615277.db2.gz QBLSXPRWQUMUBX-VXGBXAGGSA-N 2 2 293.371 -0.320 20 0 CBADLP CC[C@H](C(N)=O)[N@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000972426224 615616641 /nfs/dbraw/zinc/61/66/41/615616641.db2.gz KXDOLBNVJLFIGH-NWDGAFQWSA-N 2 2 293.371 -0.251 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000972426224 615616642 /nfs/dbraw/zinc/61/66/42/615616642.db2.gz KXDOLBNVJLFIGH-NWDGAFQWSA-N 2 2 293.371 -0.251 20 0 CBADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CCC[N@H+](CC(N)=O)CC1 ZINC000948812004 615827075 /nfs/dbraw/zinc/82/70/75/615827075.db2.gz DEPFDSLZAIHHNY-LBPRGKRZSA-N 2 2 293.371 -0.250 20 0 CBADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CCC[N@@H+](CC(N)=O)CC1 ZINC000948812004 615827077 /nfs/dbraw/zinc/82/70/77/615827077.db2.gz DEPFDSLZAIHHNY-LBPRGKRZSA-N 2 2 293.371 -0.250 20 0 CBADLP C[NH+](C)[C@@H](C(=O)N1CC[NH+](CCCO)CC1)C1CC1 ZINC000948761426 615971358 /nfs/dbraw/zinc/97/13/58/615971358.db2.gz JCHNGMFQFXLORJ-CYBMUJFWSA-N 2 2 269.389 -0.147 20 0 CBADLP C[N@H+](CCO)[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000972040059 616109802 /nfs/dbraw/zinc/10/98/02/616109802.db2.gz NJTHXZUAAZIJAD-GFCCVEGCSA-N 2 2 266.345 -0.202 20 0 CBADLP C[N@@H+](CCO)[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000972040059 616109803 /nfs/dbraw/zinc/10/98/03/616109803.db2.gz NJTHXZUAAZIJAD-GFCCVEGCSA-N 2 2 266.345 -0.202 20 0 CBADLP C[N@H+](CCO)[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000971821827 616110603 /nfs/dbraw/zinc/11/06/03/616110603.db2.gz PUGZKNYFJLHPRW-CHWSQXEVSA-N 2 2 292.383 -0.030 20 0 CBADLP C[N@@H+](CCO)[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000971821827 616110604 /nfs/dbraw/zinc/11/06/04/616110604.db2.gz PUGZKNYFJLHPRW-CHWSQXEVSA-N 2 2 292.383 -0.030 20 0 CBADLP C[N@H+]([C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1)[C@@H]1CCNC1=O ZINC000980538341 616115006 /nfs/dbraw/zinc/11/50/06/616115006.db2.gz FIPXXRDNDISLLB-VXGBXAGGSA-N 2 2 291.355 -0.696 20 0 CBADLP C[N@@H+]([C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1)[C@@H]1CCNC1=O ZINC000980538341 616115007 /nfs/dbraw/zinc/11/50/07/616115007.db2.gz FIPXXRDNDISLLB-VXGBXAGGSA-N 2 2 291.355 -0.696 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cnon2)C1 ZINC000967925889 616192131 /nfs/dbraw/zinc/19/21/31/616192131.db2.gz UDYJCUAMHILERN-ZYHUDNBSSA-N 2 2 279.344 -0.146 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cnon2)C1 ZINC000967925889 616192132 /nfs/dbraw/zinc/19/21/32/616192132.db2.gz UDYJCUAMHILERN-ZYHUDNBSSA-N 2 2 279.344 -0.146 20 0 CBADLP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC[NH+](CC(N)=O)CC1 ZINC000981369175 616195029 /nfs/dbraw/zinc/19/50/29/616195029.db2.gz FEZVUGXONNZEEC-CYBMUJFWSA-N 2 2 296.415 -0.120 20 0 CBADLP C[N@H+]1CCC[C@@H]1CCC(=O)N1CCC[NH+](CC(N)=O)CC1 ZINC000981369175 616195030 /nfs/dbraw/zinc/19/50/30/616195030.db2.gz FEZVUGXONNZEEC-CYBMUJFWSA-N 2 2 296.415 -0.120 20 0 CBADLP C[NH+]1CCC[C@@H]1CCC(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000981369175 616195031 /nfs/dbraw/zinc/19/50/31/616195031.db2.gz FEZVUGXONNZEEC-CYBMUJFWSA-N 2 2 296.415 -0.120 20 0 CBADLP C[NH+]1CCC[C@@H]1CCC(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000981369175 616195032 /nfs/dbraw/zinc/19/50/32/616195032.db2.gz FEZVUGXONNZEEC-CYBMUJFWSA-N 2 2 296.415 -0.120 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CCF)C[C@H]32)C1 ZINC000977956551 616252594 /nfs/dbraw/zinc/25/25/94/616252594.db2.gz PNCZQIQEAPADFR-FVCCEPFGSA-N 2 2 285.363 -0.420 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CCF)C[C@H]32)C1 ZINC000977956551 616252595 /nfs/dbraw/zinc/25/25/95/616252595.db2.gz PNCZQIQEAPADFR-FVCCEPFGSA-N 2 2 285.363 -0.420 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](CCF)C[C@H]32)C1 ZINC000977956551 616252596 /nfs/dbraw/zinc/25/25/96/616252596.db2.gz PNCZQIQEAPADFR-FVCCEPFGSA-N 2 2 285.363 -0.420 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](CCF)C[C@H]32)C1 ZINC000977956551 616252597 /nfs/dbraw/zinc/25/25/97/616252597.db2.gz PNCZQIQEAPADFR-FVCCEPFGSA-N 2 2 285.363 -0.420 20 0 CBADLP C[N@H+](CCF)[C@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000971268551 616258380 /nfs/dbraw/zinc/25/83/80/616258380.db2.gz WHMQXPFSFYQWLT-RYUDHWBXSA-N 2 2 273.352 -0.181 20 0 CBADLP C[N@@H+](CCF)[C@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000971268551 616258381 /nfs/dbraw/zinc/25/83/81/616258381.db2.gz WHMQXPFSFYQWLT-RYUDHWBXSA-N 2 2 273.352 -0.181 20 0 CBADLP C[NH+](CCF)[C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000971268551 616258382 /nfs/dbraw/zinc/25/83/82/616258382.db2.gz WHMQXPFSFYQWLT-RYUDHWBXSA-N 2 2 273.352 -0.181 20 0 CBADLP C[NH+](CCF)[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000971268551 616258383 /nfs/dbraw/zinc/25/83/83/616258383.db2.gz WHMQXPFSFYQWLT-RYUDHWBXSA-N 2 2 273.352 -0.181 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[NH+](CCO)CC2(C)C)C1 ZINC000972991277 616260175 /nfs/dbraw/zinc/26/01/75/616260175.db2.gz HQOQZLNRANXLHX-RYUDHWBXSA-N 2 2 285.388 -0.864 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N[C@H]2C[N@H+](CCO)CC2(C)C)C1 ZINC000972991277 616260177 /nfs/dbraw/zinc/26/01/77/616260177.db2.gz HQOQZLNRANXLHX-RYUDHWBXSA-N 2 2 285.388 -0.864 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N[C@H]2C[N@@H+](CCO)CC2(C)C)C1 ZINC000972991277 616260178 /nfs/dbraw/zinc/26/01/78/616260178.db2.gz HQOQZLNRANXLHX-RYUDHWBXSA-N 2 2 285.388 -0.864 20 0 CBADLP CN1CC[C@@H]([NH2+][C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1=O ZINC000970341296 616281201 /nfs/dbraw/zinc/28/12/01/616281201.db2.gz MXQSUXMKHQNJBT-GHMZBOCLSA-N 2 2 291.355 -0.627 20 0 CBADLP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CC(N)=O)CC2(C)C)C1 ZINC000977599330 616376289 /nfs/dbraw/zinc/37/62/89/616376289.db2.gz LWPMEGJCCFOPAX-WDEREUQCSA-N 2 2 282.388 -0.750 20 0 CBADLP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CC(N)=O)CC2(C)C)C1 ZINC000977599330 616376292 /nfs/dbraw/zinc/37/62/92/616376292.db2.gz LWPMEGJCCFOPAX-WDEREUQCSA-N 2 2 282.388 -0.750 20 0 CBADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CC(N)=O)CC2(C)C)C1 ZINC000977599330 616376297 /nfs/dbraw/zinc/37/62/97/616376297.db2.gz LWPMEGJCCFOPAX-WDEREUQCSA-N 2 2 282.388 -0.750 20 0 CBADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CC(N)=O)CC2(C)C)C1 ZINC000977599330 616376300 /nfs/dbraw/zinc/37/63/00/616376300.db2.gz LWPMEGJCCFOPAX-WDEREUQCSA-N 2 2 282.388 -0.750 20 0 CBADLP CNC(=O)C[NH+]1CC([C@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000970745134 616598056 /nfs/dbraw/zinc/59/80/56/616598056.db2.gz JLYRWEXQECKSMW-NSHDSACASA-N 2 2 294.399 -0.735 20 0 CBADLP CNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2C[NH+](C)C[C@H]2C)CC1 ZINC000981960229 616604269 /nfs/dbraw/zinc/60/42/69/616604269.db2.gz UIWRXQSERSWISI-CHWSQXEVSA-N 2 2 296.415 -0.536 20 0 CBADLP CNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2C[NH+](C)C[C@H]2C)CC1 ZINC000981960229 616604273 /nfs/dbraw/zinc/60/42/73/616604273.db2.gz UIWRXQSERSWISI-CHWSQXEVSA-N 2 2 296.415 -0.536 20 0 CBADLP CNC(=O)C[NH+]1CCCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000981960229 616604275 /nfs/dbraw/zinc/60/42/75/616604275.db2.gz UIWRXQSERSWISI-CHWSQXEVSA-N 2 2 296.415 -0.536 20 0 CBADLP CNC(=O)C[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000981960229 616604279 /nfs/dbraw/zinc/60/42/79/616604279.db2.gz UIWRXQSERSWISI-CHWSQXEVSA-N 2 2 296.415 -0.536 20 0 CBADLP CNC(=O)C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000977594469 616627953 /nfs/dbraw/zinc/62/79/53/616627953.db2.gz JXFOXWFHQGKVDF-GFCCVEGCSA-N 2 2 296.415 -0.345 20 0 CBADLP CNC(=O)C[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000977594469 616627955 /nfs/dbraw/zinc/62/79/55/616627955.db2.gz JXFOXWFHQGKVDF-GFCCVEGCSA-N 2 2 296.415 -0.345 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000980840084 616846159 /nfs/dbraw/zinc/84/61/59/616846159.db2.gz RNHNXDYGNXMXTL-STQMWFEESA-N 2 2 296.415 -0.251 20 0 CBADLP CNC(=O)[C@H](C)[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000980840084 616846162 /nfs/dbraw/zinc/84/61/62/616846162.db2.gz RNHNXDYGNXMXTL-STQMWFEESA-N 2 2 296.415 -0.251 20 0 CBADLP CNC(=O)[C@H](C)[NH+]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000980840084 616846165 /nfs/dbraw/zinc/84/61/65/616846165.db2.gz RNHNXDYGNXMXTL-STQMWFEESA-N 2 2 296.415 -0.251 20 0 CBADLP CNC(=O)[C@H](C)[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000980840084 616846167 /nfs/dbraw/zinc/84/61/67/616846167.db2.gz RNHNXDYGNXMXTL-STQMWFEESA-N 2 2 296.415 -0.251 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1 ZINC000963020325 616853365 /nfs/dbraw/zinc/85/33/65/616853365.db2.gz NIHDSEDBOHTURE-MEWQQHAOSA-N 2 2 291.355 -0.936 20 0 CBADLP CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1 ZINC000963020325 616853368 /nfs/dbraw/zinc/85/33/68/616853368.db2.gz NIHDSEDBOHTURE-MEWQQHAOSA-N 2 2 291.355 -0.936 20 0 CBADLP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](C[C@@H]1C[NH2+]CCO1)CC2 ZINC000923450988 658286664 /nfs/dbraw/zinc/28/66/64/658286664.db2.gz IZTSONGPWNOJFQ-STQMWFEESA-N 3 2 269.389 -0.195 20 0 CBADLP COC(=O)c1cn(CC[NH2+][C@@H]2CC[NH2+]C23CCC3)nn1 ZINC000925667859 658864313 /nfs/dbraw/zinc/86/43/13/658864313.db2.gz SRUMBKUDYCYNKF-LLVKDONJSA-N 2 2 279.344 -0.061 20 0 CBADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC[C@@H]1CNCCS1(=O)=O ZINC000925788111 658871631 /nfs/dbraw/zinc/87/16/31/658871631.db2.gz FZNSKIJWIMCOLN-IJLUTSLNSA-N 2 2 275.418 -0.649 20 0 CBADLP C[C@H]([NH2+]CC[C@H]1CNCCS1(=O)=O)[C@@H]1CCCC[NH2+]1 ZINC000925787999 658871846 /nfs/dbraw/zinc/87/18/46/658871846.db2.gz FGXWARPAEWGDJS-AVGNSLFASA-N 2 2 289.445 -0.117 20 0 CBADLP [NH3+]C1CCN(CC[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC1 ZINC000925817661 658873800 /nfs/dbraw/zinc/87/38/00/658873800.db2.gz UXJMLSCAFKQTMR-LSDHHAIUSA-N 3 2 282.432 -0.234 20 0 CBADLP C[C@@H](O)[C@@H](O)C[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000929657440 659156932 /nfs/dbraw/zinc/15/69/32/659156932.db2.gz MKMDKAFKGHBMOJ-YPMHNXCESA-N 2 2 260.378 -0.493 20 0 CBADLP C[C@@H](O)[C@@H](O)C[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000929657440 659156935 /nfs/dbraw/zinc/15/69/35/659156935.db2.gz MKMDKAFKGHBMOJ-YPMHNXCESA-N 2 2 260.378 -0.493 20 0 CBADLP C[C@@H](O)[C@H](O)C[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000929657434 659157011 /nfs/dbraw/zinc/15/70/11/659157011.db2.gz MKMDKAFKGHBMOJ-DGCLKSJQSA-N 2 2 260.378 -0.493 20 0 CBADLP C[C@@H](O)[C@H](O)C[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000929657434 659157012 /nfs/dbraw/zinc/15/70/12/659157012.db2.gz MKMDKAFKGHBMOJ-DGCLKSJQSA-N 2 2 260.378 -0.493 20 0 CBADLP [NH3+]Cc1cccc(C(=O)N2CC[NH+](CCO)CC2)c1 ZINC000036127917 656001406 /nfs/dbraw/zinc/00/14/06/656001406.db2.gz UZDVJUBWHQBRNO-UHFFFAOYSA-N 2 2 263.341 -0.105 20 0 CBADLP C[C@@H](NC(=O)[C@@H]1CCC[NH2+]1)[C@H](C)[NH+]1CCOCC1 ZINC000167691593 656081488 /nfs/dbraw/zinc/08/14/88/656081488.db2.gz UGELVUFZPAXQPQ-WOPDTQHZSA-N 2 2 255.362 -0.036 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH+]2CCC(C3OCCO3)CC2)CC1 ZINC000180465257 656091409 /nfs/dbraw/zinc/09/14/09/656091409.db2.gz CYAYHFZWWMCNNQ-UHFFFAOYSA-N 2 2 297.399 -0.155 20 0 CBADLP C[C@@H]1CN(C(=O)c2n[nH]c3c2C[NH2+]CC3)C[C@@H](C)[NH2+]1 ZINC000188185607 656095899 /nfs/dbraw/zinc/09/58/99/656095899.db2.gz ROFKMEVEYDOYNA-RKDXNWHRSA-N 2 2 263.345 -0.122 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000229089876 656110789 /nfs/dbraw/zinc/11/07/89/656110789.db2.gz KPTLUYVLQPHAMD-OLZOCXBDSA-N 2 2 298.431 -0.112 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000229089876 656110792 /nfs/dbraw/zinc/11/07/92/656110792.db2.gz KPTLUYVLQPHAMD-OLZOCXBDSA-N 2 2 298.431 -0.112 20 0 CBADLP O=C(CCn1cc[nH+]c1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261625162 656125086 /nfs/dbraw/zinc/12/50/86/656125086.db2.gz AOBITRBXOJUUSG-CYBMUJFWSA-N 2 2 277.372 -0.221 20 0 CBADLP C[C@@H]([NH3+])CC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000261761563 656126567 /nfs/dbraw/zinc/12/65/67/656126567.db2.gz IBGJGYJCRILFLF-LLVKDONJSA-N 2 2 281.360 -0.109 20 0 CBADLP Cn1ncc(C[NH2+]CCCN2CC[NH+](C)CC2)n1 ZINC000311152657 656145811 /nfs/dbraw/zinc/14/58/11/656145811.db2.gz JLLIQOIUZIXTFL-UHFFFAOYSA-N 2 2 252.366 -0.458 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000311667229 656146330 /nfs/dbraw/zinc/14/63/30/656146330.db2.gz GQJPJQVPPRMRQX-OCCSQVGLSA-N 3 2 273.421 -0.015 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000311667229 656146333 /nfs/dbraw/zinc/14/63/33/656146333.db2.gz GQJPJQVPPRMRQX-OCCSQVGLSA-N 3 2 273.421 -0.015 20 0 CBADLP C[N@@H+]1C[C@@H]2C[NH+](CCC(=O)N3CC[NH2+]CC3)C[C@]2(C)C1 ZINC000702346687 656180059 /nfs/dbraw/zinc/18/00/59/656180059.db2.gz JDZFYDQQOPOUET-HIFRSBDPSA-N 3 2 280.416 -0.308 20 0 CBADLP C[N@H+]1C[C@@H]2C[NH+](CCC(=O)N3CC[NH2+]CC3)C[C@]2(C)C1 ZINC000702346687 656180061 /nfs/dbraw/zinc/18/00/61/656180061.db2.gz JDZFYDQQOPOUET-HIFRSBDPSA-N 3 2 280.416 -0.308 20 0 CBADLP C[NH+]1C[C@@H]2C[N@H+](CCC(=O)N3CC[NH2+]CC3)C[C@]2(C)C1 ZINC000702346687 656180062 /nfs/dbraw/zinc/18/00/62/656180062.db2.gz JDZFYDQQOPOUET-HIFRSBDPSA-N 3 2 280.416 -0.308 20 0 CBADLP C[NH+]1C[C@@H]2C[N@@H+](CCC(=O)N3CC[NH2+]CC3)C[C@]2(C)C1 ZINC000702346687 656180064 /nfs/dbraw/zinc/18/00/64/656180064.db2.gz JDZFYDQQOPOUET-HIFRSBDPSA-N 3 2 280.416 -0.308 20 0 CBADLP C[NH+](C)C[C@H](N)C(=O)NCCCCn1cc[nH+]c1 ZINC000702392063 656180743 /nfs/dbraw/zinc/18/07/43/656180743.db2.gz RLNFCQRLINWHAF-NSHDSACASA-N 2 2 253.350 -0.332 20 0 CBADLP C[C@@]1(C[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)CCC[NH2+]C1 ZINC000703019792 656182320 /nfs/dbraw/zinc/18/23/20/656182320.db2.gz LMLZPWFXDLHCFL-NWDGAFQWSA-N 2 2 275.418 0.000 20 0 CBADLP C[C@@]1(C[N@H+]2CC[C@H](NS(C)(=O)=O)C2)CCC[NH2+]C1 ZINC000703019792 656182323 /nfs/dbraw/zinc/18/23/23/656182323.db2.gz LMLZPWFXDLHCFL-NWDGAFQWSA-N 2 2 275.418 0.000 20 0 CBADLP C[C@]12C[NH2+]C[C@H]1C[N@H+](CCN1CCCS1(=O)=O)C2 ZINC000703549377 656183334 /nfs/dbraw/zinc/18/33/34/656183334.db2.gz YBNMQQHQCPIHCC-NWDGAFQWSA-N 2 2 273.402 -0.437 20 0 CBADLP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CCN1CCCS1(=O)=O)C2 ZINC000703549377 656183337 /nfs/dbraw/zinc/18/33/37/656183337.db2.gz YBNMQQHQCPIHCC-NWDGAFQWSA-N 2 2 273.402 -0.437 20 0 CBADLP O=C(CCn1cc[nH+]c1)N1CCC[C@@H]([NH2+]CCO)C1 ZINC000708551422 656193412 /nfs/dbraw/zinc/19/34/12/656193412.db2.gz CNEIUQKKJHNPSX-GFCCVEGCSA-N 2 2 266.345 -0.154 20 0 CBADLP Cn1ncc(C[NH+]2CCC(O)(C[NH+](C)C)CC2)n1 ZINC000710672718 656199359 /nfs/dbraw/zinc/19/93/59/656199359.db2.gz VYUOJITXDRPXOA-UHFFFAOYSA-N 2 2 253.350 -0.296 20 0 CBADLP COC[C@@]1(C(=O)N[C@H](C)Cn2cc[nH+]c2)C[NH2+]CCO1 ZINC000710722567 656200123 /nfs/dbraw/zinc/20/01/23/656200123.db2.gz BVDYOAXQRPIJIY-DGCLKSJQSA-N 2 2 282.344 -0.607 20 0 CBADLP COC[C@@]1(C(=O)NCCn2cc[nH+]c2)C[NH2+]CCO1 ZINC000710819849 656203796 /nfs/dbraw/zinc/20/37/96/656203796.db2.gz ASTUQHHSHAGJPG-GFCCVEGCSA-N 2 2 268.317 -0.996 20 0 CBADLP [NH3+]C[C@H]1C[N@H+](CCn2cnnn2)C[C@@H]1C(F)(F)F ZINC000712553666 656210662 /nfs/dbraw/zinc/21/06/62/656210662.db2.gz YSXPLNGZFYYOKG-YUMQZZPRSA-N 2 2 264.255 -0.258 20 0 CBADLP [NH3+]C[C@H]1C[N@@H+](CCn2cnnn2)C[C@@H]1C(F)(F)F ZINC000712553666 656210665 /nfs/dbraw/zinc/21/06/65/656210665.db2.gz YSXPLNGZFYYOKG-YUMQZZPRSA-N 2 2 264.255 -0.258 20 0 CBADLP C[N@@H+]1CCN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1CO ZINC000715866938 656220589 /nfs/dbraw/zinc/22/05/89/656220589.db2.gz XSILOHISDXVUMU-NSHDSACASA-N 2 2 253.346 -0.783 20 0 CBADLP C[N@H+]1CCN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1CO ZINC000715866938 656220592 /nfs/dbraw/zinc/22/05/92/656220592.db2.gz XSILOHISDXVUMU-NSHDSACASA-N 2 2 253.346 -0.783 20 0 CBADLP C[N@@H+]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H](CO)C1 ZINC000715878713 656220625 /nfs/dbraw/zinc/22/06/25/656220625.db2.gz WVFFOSFRRJIYAB-NSHDSACASA-N 2 2 253.346 -0.783 20 0 CBADLP C[N@H+]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H](CO)C1 ZINC000715878713 656220628 /nfs/dbraw/zinc/22/06/28/656220628.db2.gz WVFFOSFRRJIYAB-NSHDSACASA-N 2 2 253.346 -0.783 20 0 CBADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H](N)CC[NH+](C)C ZINC000877432666 656247763 /nfs/dbraw/zinc/24/77/63/656247763.db2.gz DZZINEOZOCVVOO-STQMWFEESA-N 2 2 286.420 -0.508 20 0 CBADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@@H](N)CC[NH+](C)C ZINC000877432666 656247765 /nfs/dbraw/zinc/24/77/65/656247765.db2.gz DZZINEOZOCVVOO-STQMWFEESA-N 2 2 286.420 -0.508 20 0 CBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@H]([NH3+])CC1CC1 ZINC000884426987 656253066 /nfs/dbraw/zinc/25/30/66/656253066.db2.gz ABWRPUBZTQYGQJ-CHWSQXEVSA-N 2 2 285.388 -0.735 20 0 CBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000884427464 656253197 /nfs/dbraw/zinc/25/31/97/656253197.db2.gz XLHRMDNVZNTSDL-OLZOCXBDSA-N 2 2 299.415 -0.617 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000884639423 656253571 /nfs/dbraw/zinc/25/35/71/656253571.db2.gz XTGZQAFNYOVCGY-GHMZBOCLSA-N 2 2 279.344 -0.663 20 0 CBADLP CCN(C(=O)C(=O)NCCCn1cc[nH+]c1)[C@H]1CC[NH2+]C1 ZINC000884651916 656253614 /nfs/dbraw/zinc/25/36/14/656253614.db2.gz DCSLYVOHSXGIFX-LBPRGKRZSA-N 2 2 293.371 -0.400 20 0 CBADLP CN(C[C@H](O)C[NH+]1CCOCC1)c1cc[nH+]cc1CO ZINC000892857164 656272948 /nfs/dbraw/zinc/27/29/48/656272948.db2.gz SQDJGRNATDTHLD-ZDUSSCGKSA-N 2 2 281.356 -0.297 20 0 CBADLP CON(C)C(=O)C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000895045660 656278428 /nfs/dbraw/zinc/27/84/28/656278428.db2.gz RZAKPFKKMBPHIN-GFCCVEGCSA-N 2 2 271.361 -0.151 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000895739820 656284433 /nfs/dbraw/zinc/28/44/33/656284433.db2.gz IIKXCBMYWRYBDN-GXTWGEPZSA-N 2 2 297.399 -0.456 20 0 CBADLP C[C@H](NC(=O)CC[NH+]1CCOCC1)[C@@H]1C[N@H+](C)CCN1C ZINC000896564596 656289841 /nfs/dbraw/zinc/28/98/41/656289841.db2.gz QRFOVTFTVZQSJF-KBPBESRZSA-N 2 2 298.431 -0.541 20 0 CBADLP C[C@H](NC(=O)CC[NH+]1CCOCC1)[C@@H]1C[N@@H+](C)CCN1C ZINC000896564596 656289845 /nfs/dbraw/zinc/28/98/45/656289845.db2.gz QRFOVTFTVZQSJF-KBPBESRZSA-N 2 2 298.431 -0.541 20 0 CBADLP CN(C(=O)CO)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000896629671 656291450 /nfs/dbraw/zinc/29/14/50/656291450.db2.gz HMZIGZHZMFSWIY-LBPRGKRZSA-N 2 2 255.362 -0.394 20 0 CBADLP CN(C(=O)CO)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000896629671 656291454 /nfs/dbraw/zinc/29/14/54/656291454.db2.gz HMZIGZHZMFSWIY-LBPRGKRZSA-N 2 2 255.362 -0.394 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N2CC([NH+]3CCCC3)C2)C1 ZINC000898609171 656300525 /nfs/dbraw/zinc/30/05/25/656300525.db2.gz RLJWOBPGVDUFDT-LBPRGKRZSA-N 2 2 253.346 -0.376 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N2CC([NH+]3CCCC3)C2)C1 ZINC000898609171 656300527 /nfs/dbraw/zinc/30/05/27/656300527.db2.gz RLJWOBPGVDUFDT-LBPRGKRZSA-N 2 2 253.346 -0.376 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000900208434 656307343 /nfs/dbraw/zinc/30/73/43/656307343.db2.gz IUMAQGBSDPMLPT-HIFRSBDPSA-N 2 2 299.415 -0.330 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000900208434 656307346 /nfs/dbraw/zinc/30/73/46/656307346.db2.gz IUMAQGBSDPMLPT-HIFRSBDPSA-N 2 2 299.415 -0.330 20 0 CBADLP C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CC[NH+](C(C)(C)CO)CC1 ZINC000901227940 656317623 /nfs/dbraw/zinc/31/76/23/656317623.db2.gz JRDGBDGDFUZJQL-WFASDCNBSA-N 2 2 299.415 -0.643 20 0 CBADLP C[C@]1(C[N@@H+]2CC[C@H](S(N)(=O)=O)C2)CCC[NH2+]C1 ZINC000904338252 656324752 /nfs/dbraw/zinc/32/47/52/656324752.db2.gz PQOAGQNHSHVVLT-QWRGUYRKSA-N 2 2 261.391 -0.261 20 0 CBADLP C[C@]1(C[N@H+]2CC[C@H](S(N)(=O)=O)C2)CCC[NH2+]C1 ZINC000904338252 656324756 /nfs/dbraw/zinc/32/47/56/656324756.db2.gz PQOAGQNHSHVVLT-QWRGUYRKSA-N 2 2 261.391 -0.261 20 0 CBADLP C[NH+]1CCN(c2ncc(C[NH2+][C@@H]3CNOC3)cn2)CC1 ZINC000904424925 656326735 /nfs/dbraw/zinc/32/67/35/656326735.db2.gz QRLJSYDKTAQTOY-GFCCVEGCSA-N 2 2 278.360 -0.779 20 0 CBADLP C[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]3CC[C@]32C[NH3+])CC1 ZINC000904968500 656331107 /nfs/dbraw/zinc/33/11/07/656331107.db2.gz BLUVHGCUHPMTKM-DOMZBBRYSA-N 2 2 294.399 -0.510 20 0 CBADLP C[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]3CC[C@]32C[NH3+])CC1 ZINC000904968504 656331164 /nfs/dbraw/zinc/33/11/64/656331164.db2.gz BLUVHGCUHPMTKM-WFASDCNBSA-N 2 2 294.399 -0.510 20 0 CBADLP CN1CC[N@H+](C)CC(C(=O)NCCCn2cc[nH+]c2)C1 ZINC000905045665 656336007 /nfs/dbraw/zinc/33/60/07/656336007.db2.gz DBWKYSAWGKBBCO-UHFFFAOYSA-N 2 2 279.388 -0.117 20 0 CBADLP CN1CC[N@@H+](C)CC(C(=O)NCCCn2cc[nH+]c2)C1 ZINC000905045665 656336010 /nfs/dbraw/zinc/33/60/10/656336010.db2.gz DBWKYSAWGKBBCO-UHFFFAOYSA-N 2 2 279.388 -0.117 20 0 CBADLP O[C@H](C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C1(O)CCC1 ZINC000905077320 656336928 /nfs/dbraw/zinc/33/69/28/656336928.db2.gz XCYGHMHPYRQTFW-JHJVBQTASA-N 2 2 270.373 -0.285 20 0 CBADLP O[C@H](C[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C1(O)CCC1 ZINC000905077320 656336931 /nfs/dbraw/zinc/33/69/31/656336931.db2.gz XCYGHMHPYRQTFW-JHJVBQTASA-N 2 2 270.373 -0.285 20 0 CBADLP O[C@H](C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C1(O)CCC1 ZINC000905077322 656337384 /nfs/dbraw/zinc/33/73/84/656337384.db2.gz XCYGHMHPYRQTFW-YNEHKIRRSA-N 2 2 270.373 -0.285 20 0 CBADLP O[C@H](C[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)C1(O)CCC1 ZINC000905077322 656337387 /nfs/dbraw/zinc/33/73/87/656337387.db2.gz XCYGHMHPYRQTFW-YNEHKIRRSA-N 2 2 270.373 -0.285 20 0 CBADLP O[C@H](C[NH2+][C@@H]1CC[N@H+](CC2CC2)C1)C[C@]1(O)CCOC1 ZINC000905102584 656338658 /nfs/dbraw/zinc/33/86/58/656338658.db2.gz UFASDRDRTLQIAW-QLFBSQMISA-N 2 2 284.400 -0.037 20 0 CBADLP O[C@H](C[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)C[C@]1(O)CCOC1 ZINC000905102584 656338663 /nfs/dbraw/zinc/33/86/63/656338663.db2.gz UFASDRDRTLQIAW-QLFBSQMISA-N 2 2 284.400 -0.037 20 0 CBADLP CON1CC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1=O ZINC000905772287 656368156 /nfs/dbraw/zinc/36/81/56/656368156.db2.gz CPIYSKBWBLXTNW-OLZOCXBDSA-N 2 2 283.372 -0.008 20 0 CBADLP CC1(C)CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH2+]CC(N)=O ZINC000996458735 656414184 /nfs/dbraw/zinc/41/41/84/656414184.db2.gz WXJHRGUZITVAKK-SECBINFHSA-N 2 2 279.344 -0.736 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]([NH2+]CC(N)=O)C(C)(C)C1 ZINC000996560643 656419839 /nfs/dbraw/zinc/41/98/39/656419839.db2.gz CGZPIQXIHLQNRF-LLVKDONJSA-N 2 2 293.371 -0.427 20 0 CBADLP CC1(C)CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]CCO ZINC000996713381 656454583 /nfs/dbraw/zinc/45/45/83/656454583.db2.gz IOTHEINVBQZJDI-LLVKDONJSA-N 2 2 266.345 -0.298 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)N1CCC([NH2+]CCO)CC1 ZINC000996834352 656458333 /nfs/dbraw/zinc/45/83/33/656458333.db2.gz NRFBLSUZEHQOEV-UHFFFAOYSA-N 2 2 280.372 -0.074 20 0 CBADLP Cn1c[nH+]cc1CCNC(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC000907309000 656486120 /nfs/dbraw/zinc/48/61/20/656486120.db2.gz YIPOBFBYAGAOSP-AAEUAGOBSA-N 2 2 266.345 -0.466 20 0 CBADLP Cn1c[nH+]cc1CCNC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC000907309000 656486130 /nfs/dbraw/zinc/48/61/30/656486130.db2.gz YIPOBFBYAGAOSP-AAEUAGOBSA-N 2 2 266.345 -0.466 20 0 CBADLP CC1(C)CN(C(=O)Cc2c[nH+]c[nH]2)CC[N@@H+]1CCO ZINC000907592460 656530032 /nfs/dbraw/zinc/53/00/32/656530032.db2.gz FDCIEUYCTYLZTR-UHFFFAOYSA-N 2 2 266.345 -0.133 20 0 CBADLP CC1(C)CN(C(=O)Cc2c[nH+]c[nH]2)CC[N@H+]1CCO ZINC000907592460 656530043 /nfs/dbraw/zinc/53/00/43/656530043.db2.gz FDCIEUYCTYLZTR-UHFFFAOYSA-N 2 2 266.345 -0.133 20 0 CBADLP O=C(CCc1[nH]cc[nH+]1)N1CCC[C@H]([NH2+]CCO)C1 ZINC000999037180 656603069 /nfs/dbraw/zinc/60/30/69/656603069.db2.gz AJTNMZYTEPYNEX-NSHDSACASA-N 2 2 266.345 -0.085 20 0 CBADLP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NCC[NH+]1CC=CCC1 ZINC000907887621 656604591 /nfs/dbraw/zinc/60/45/91/656604591.db2.gz PVUQYBVTPMIHPN-TZMCWYRMSA-N 2 2 267.373 -0.180 20 0 CBADLP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NCC[NH+]1CC=CCC1 ZINC000907887621 656604595 /nfs/dbraw/zinc/60/45/95/656604595.db2.gz PVUQYBVTPMIHPN-TZMCWYRMSA-N 2 2 267.373 -0.180 20 0 CBADLP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)NCC[N@H+]1CC=CCC1 ZINC000907887621 656604601 /nfs/dbraw/zinc/60/46/01/656604601.db2.gz PVUQYBVTPMIHPN-TZMCWYRMSA-N 2 2 267.373 -0.180 20 0 CBADLP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)NCC[N@@H+]1CC=CCC1 ZINC000907887621 656604605 /nfs/dbraw/zinc/60/46/05/656604605.db2.gz PVUQYBVTPMIHPN-TZMCWYRMSA-N 2 2 267.373 -0.180 20 0 CBADLP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC[NH+](C)C(C)(C)C1 ZINC000907976476 656617488 /nfs/dbraw/zinc/61/74/88/656617488.db2.gz UFHIIZKMGCYDBP-RISCZKNCSA-N 2 2 269.389 -0.006 20 0 CBADLP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC[NH+](C)C(C)(C)C1 ZINC000907976476 656617492 /nfs/dbraw/zinc/61/74/92/656617492.db2.gz UFHIIZKMGCYDBP-RISCZKNCSA-N 2 2 269.389 -0.006 20 0 CBADLP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000907976476 656617493 /nfs/dbraw/zinc/61/74/93/656617493.db2.gz UFHIIZKMGCYDBP-RISCZKNCSA-N 2 2 269.389 -0.006 20 0 CBADLP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000907976476 656617498 /nfs/dbraw/zinc/61/74/98/656617498.db2.gz UFHIIZKMGCYDBP-RISCZKNCSA-N 2 2 269.389 -0.006 20 0 CBADLP NC(=O)C[NH2+][C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000999317752 656620885 /nfs/dbraw/zinc/62/08/85/656620885.db2.gz PLJZYJUIAVGIOX-NSHDSACASA-N 2 2 279.344 -0.592 20 0 CBADLP NC(=O)C[NH2+][C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000999317752 656620892 /nfs/dbraw/zinc/62/08/92/656620892.db2.gz PLJZYJUIAVGIOX-NSHDSACASA-N 2 2 279.344 -0.592 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)N1CCC[C@H]([NH2+]CCO)C1 ZINC000999323651 656621870 /nfs/dbraw/zinc/62/18/70/656621870.db2.gz RMSKCEXXTPEKDF-LBPRGKRZSA-N 2 2 266.345 -0.085 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)N1CCC[C@H]([NH2+]CCO)C1 ZINC000999323651 656621875 /nfs/dbraw/zinc/62/18/75/656621875.db2.gz RMSKCEXXTPEKDF-LBPRGKRZSA-N 2 2 266.345 -0.085 20 0 CBADLP CN(C(=O)Cc1c[nH+]cn1C)C1CC([NH2+]CC(N)=O)C1 ZINC000999687774 656645594 /nfs/dbraw/zinc/64/55/94/656645594.db2.gz JQSPEKNVOIJGRG-UHFFFAOYSA-N 2 2 279.344 -0.973 20 0 CBADLP CN(C(=O)Cc1c[nH+]cn1C)C1CC([NH2+]CCO)C1 ZINC000999689830 656645902 /nfs/dbraw/zinc/64/59/02/656645902.db2.gz SBQAOVQKSCDMMS-UHFFFAOYSA-N 2 2 266.345 -0.466 20 0 CBADLP C/C(=C/C(=O)N[C@H](CO)C[NH+](C)C)C[NH+]1CCOCC1 ZINC000908199000 656663555 /nfs/dbraw/zinc/66/35/55/656663555.db2.gz BJDOLTGHBFGTRX-FSBNRTBOSA-N 2 2 285.388 -0.696 20 0 CBADLP C[NH+](C)C[C@H](CO)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC000908199385 656664137 /nfs/dbraw/zinc/66/41/37/656664137.db2.gz DMWDWUMOEUJSLI-MFKMUULPSA-N 2 2 295.387 -0.171 20 0 CBADLP C[NH+](C)C[C@H](CO)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC000908199385 656664142 /nfs/dbraw/zinc/66/41/42/656664142.db2.gz DMWDWUMOEUJSLI-MFKMUULPSA-N 2 2 295.387 -0.171 20 0 CBADLP C[C@@H](O)C[NH2+]C1CC(N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC000999916239 656668849 /nfs/dbraw/zinc/66/88/49/656668849.db2.gz OXKIVPMRQLJSHZ-VOMCLLRMSA-N 2 2 266.345 -0.157 20 0 CBADLP CN(C(=O)Cn1cc[nH+]c1)C1CC([NH2+]CCO)C1 ZINC000999914570 656668863 /nfs/dbraw/zinc/66/88/63/656668863.db2.gz CWTBGYMZVLGCOG-UHFFFAOYSA-N 2 2 252.318 -0.546 20 0 CBADLP CC[C@@H]([NH2+][C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1)C(N)=O ZINC001000305205 656707881 /nfs/dbraw/zinc/70/78/81/656707881.db2.gz AYEKSEUMQYRLPY-CMPLNLGQSA-N 2 2 293.371 -0.203 20 0 CBADLP CC[C@H]([NH2+][C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1)C(N)=O ZINC001000305208 656708379 /nfs/dbraw/zinc/70/83/79/656708379.db2.gz AYEKSEUMQYRLPY-JQWIXIFHSA-N 2 2 293.371 -0.203 20 0 CBADLP C[C@H]([NH2+][C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1)C(N)=O ZINC001000314557 656709742 /nfs/dbraw/zinc/70/97/42/656709742.db2.gz YPFFFNGFQBYMDB-UWVGGRQHSA-N 2 2 279.344 -0.593 20 0 CBADLP C[C@H](O)C[NH2+][C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001000314427 656709783 /nfs/dbraw/zinc/70/97/83/656709783.db2.gz WOJBCGXENUJGMA-QWRGUYRKSA-N 2 2 266.345 -0.086 20 0 CBADLP C[C@H](CC(=O)N1CCC[C@H]([NH2+]CC(N)=O)C1)n1cc[nH+]c1 ZINC001000332876 656710483 /nfs/dbraw/zinc/71/04/83/656710483.db2.gz AUDZKHZEOWEQSH-NEPJUHHUSA-N 2 2 293.371 -0.100 20 0 CBADLP C[C@@H](O)C[NH2+][C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001000314426 656710786 /nfs/dbraw/zinc/71/07/86/656710786.db2.gz WOJBCGXENUJGMA-MNOVXSKESA-N 2 2 266.345 -0.086 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001000319644 656710988 /nfs/dbraw/zinc/71/09/88/656710988.db2.gz COHJGGAFESKWRD-PWSUYJOCSA-N 2 2 291.355 -0.579 20 0 CBADLP C[C@H](O)C[NH2+][C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001000558773 656735650 /nfs/dbraw/zinc/73/56/50/656735650.db2.gz GSQJECJSWULEIG-WDEREUQCSA-N 2 2 266.345 -0.086 20 0 CBADLP CC[C@@H]([NH2+][C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1)C(N)=O ZINC001000565702 656740763 /nfs/dbraw/zinc/74/07/63/656740763.db2.gz RHMQNKVLFCVCCL-GHMZBOCLSA-N 2 2 293.371 -0.203 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC1CN(C(=O)C[NH+]2CCCC2)C1 ZINC001000576473 656743820 /nfs/dbraw/zinc/74/38/20/656743820.db2.gz DOERPPMDIWQXEB-UHFFFAOYSA-N 2 2 291.355 -0.625 20 0 CBADLP O=C(N[C@@H]1Cc2c[nH+]cn2C1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000908758920 656758235 /nfs/dbraw/zinc/75/82/35/656758235.db2.gz SUHDYDHARNARBU-VXGBXAGGSA-N 2 2 276.340 -0.355 20 0 CBADLP C[N@@H+]1CCC[C@@](O)(CC(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1 ZINC000908759989 656758857 /nfs/dbraw/zinc/75/88/57/656758857.db2.gz JUXVXRWDYTVIFM-BXUZGUMPSA-N 2 2 278.356 -0.229 20 0 CBADLP C[N@H+]1CCC[C@@](O)(CC(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1 ZINC000908759989 656758861 /nfs/dbraw/zinc/75/88/61/656758861.db2.gz JUXVXRWDYTVIFM-BXUZGUMPSA-N 2 2 278.356 -0.229 20 0 CBADLP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000908757937 656758910 /nfs/dbraw/zinc/75/89/10/656758910.db2.gz GHTMOHSDWFNMNM-UFGOTCBOSA-N 2 2 264.329 -0.621 20 0 CBADLP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000908757937 656758917 /nfs/dbraw/zinc/75/89/17/656758917.db2.gz GHTMOHSDWFNMNM-UFGOTCBOSA-N 2 2 264.329 -0.621 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001000793043 656763729 /nfs/dbraw/zinc/76/37/29/656763729.db2.gz CROSYVIWAIOBIJ-GHMZBOCLSA-N 2 2 293.371 -0.285 20 0 CBADLP C[C@H]([NH2+][C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1)C(N)=O ZINC001001052512 656792590 /nfs/dbraw/zinc/79/25/90/656792590.db2.gz NKLAYYDATOLOFH-WDEREUQCSA-N 2 2 279.344 -0.663 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CCC[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001001057045 656792616 /nfs/dbraw/zinc/79/26/16/656792616.db2.gz TYDRSVYJYCALTI-NEPJUHHUSA-N 2 2 291.355 -0.648 20 0 CBADLP C[C@@H]1C[N@H+](CCO)CCN1C(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000909436316 656813645 /nfs/dbraw/zinc/81/36/45/656813645.db2.gz KBWBVWMDQIJVKC-OCCSQVGLSA-N 2 2 297.399 -0.768 20 0 CBADLP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000909436316 656813646 /nfs/dbraw/zinc/81/36/46/656813646.db2.gz KBWBVWMDQIJVKC-OCCSQVGLSA-N 2 2 297.399 -0.768 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NC1CC[NH+]([C@H](C)C(N)=O)CC1 ZINC001003318952 656855317 /nfs/dbraw/zinc/85/53/17/656855317.db2.gz OMLOEPLQLSZPHC-LLVKDONJSA-N 2 2 293.371 -0.354 20 0 CBADLP CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000910557147 656875432 /nfs/dbraw/zinc/87/54/32/656875432.db2.gz TYZBTLAFUVPDLF-ZDUSSCGKSA-N 2 2 294.399 -0.497 20 0 CBADLP CC[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000910557147 656875435 /nfs/dbraw/zinc/87/54/35/656875435.db2.gz TYZBTLAFUVPDLF-ZDUSSCGKSA-N 2 2 294.399 -0.497 20 0 CBADLP C[C@@H](O)C[NH+]1CCC(NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001003844268 656875729 /nfs/dbraw/zinc/87/57/29/656875729.db2.gz FXPYSJXUDLUHMH-SNVBAGLBSA-N 2 2 266.345 -0.086 20 0 CBADLP CNC(=O)C[NH+]1CCC(NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001004151271 656881695 /nfs/dbraw/zinc/88/16/95/656881695.db2.gz JUZTWKBNPDQJBN-UHFFFAOYSA-N 2 2 293.371 -0.482 20 0 CBADLP C[C@@H]1CN(C(=O)C(=O)NCCn2cc[nH+]c2)CC[C@H]1C[NH3+] ZINC000910986500 656923693 /nfs/dbraw/zinc/92/36/93/656923693.db2.gz JJJBKKQNEPLXSF-NEPJUHHUSA-N 2 2 293.371 -0.557 20 0 CBADLP CN(C)C(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001006921491 656981432 /nfs/dbraw/zinc/98/14/32/656981432.db2.gz ZRUKJTGANQOHKD-CHWSQXEVSA-N 2 2 296.415 -0.251 20 0 CBADLP CN(C)C(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001006921491 656981437 /nfs/dbraw/zinc/98/14/37/656981437.db2.gz ZRUKJTGANQOHKD-CHWSQXEVSA-N 2 2 296.415 -0.251 20 0 CBADLP CN(C)C(=O)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001006921491 656981440 /nfs/dbraw/zinc/98/14/40/656981440.db2.gz ZRUKJTGANQOHKD-CHWSQXEVSA-N 2 2 296.415 -0.251 20 0 CBADLP CN(C)C(=O)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001006921491 656981455 /nfs/dbraw/zinc/98/14/55/656981455.db2.gz ZRUKJTGANQOHKD-CHWSQXEVSA-N 2 2 296.415 -0.251 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000911231273 656992629 /nfs/dbraw/zinc/99/26/29/656992629.db2.gz ZDTUZDBONHYUQS-QWRGUYRKSA-N 2 2 293.371 -0.417 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[NH+](CC(N)=O)C2)CC[N@@H+]1C ZINC001007368068 657008047 /nfs/dbraw/zinc/00/80/47/657008047.db2.gz AGYOUSZXBNVZIL-RWMBFGLXSA-N 2 2 296.415 -0.217 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[NH+](CC(N)=O)C2)CC[N@H+]1C ZINC001007368068 657008051 /nfs/dbraw/zinc/00/80/51/657008051.db2.gz AGYOUSZXBNVZIL-RWMBFGLXSA-N 2 2 296.415 -0.217 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[N@H+](CC(N)=O)C2)CC[NH+]1C ZINC001007368068 657008055 /nfs/dbraw/zinc/00/80/55/657008055.db2.gz AGYOUSZXBNVZIL-RWMBFGLXSA-N 2 2 296.415 -0.217 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)C2)CC[NH+]1C ZINC001007368068 657008057 /nfs/dbraw/zinc/00/80/57/657008057.db2.gz AGYOUSZXBNVZIL-RWMBFGLXSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[NH+](CC(N)=O)C2)CC[N@@H+]1C ZINC001007370582 657008095 /nfs/dbraw/zinc/00/80/95/657008095.db2.gz BUYBQZWRAYACCZ-GRYCIOLGSA-N 2 2 282.388 -0.608 20 0 CBADLP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[NH+](CC(N)=O)C2)CC[N@H+]1C ZINC001007370582 657008099 /nfs/dbraw/zinc/00/80/99/657008099.db2.gz BUYBQZWRAYACCZ-GRYCIOLGSA-N 2 2 282.388 -0.608 20 0 CBADLP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[N@H+](CC(N)=O)C2)CC[NH+]1C ZINC001007370582 657008102 /nfs/dbraw/zinc/00/81/02/657008102.db2.gz BUYBQZWRAYACCZ-GRYCIOLGSA-N 2 2 282.388 -0.608 20 0 CBADLP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)C2)CC[NH+]1C ZINC001007370582 657008106 /nfs/dbraw/zinc/00/81/06/657008106.db2.gz BUYBQZWRAYACCZ-GRYCIOLGSA-N 2 2 282.388 -0.608 20 0 CBADLP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000911366978 657027808 /nfs/dbraw/zinc/02/78/08/657027808.db2.gz KSGWMMZTKLXHTM-ZYHUDNBSSA-N 2 2 280.372 -0.983 20 0 CBADLP CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001008407143 657044936 /nfs/dbraw/zinc/04/49/36/657044936.db2.gz RBLYLGLCBPFSKX-CYBMUJFWSA-N 2 2 296.415 -0.345 20 0 CBADLP CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001008407143 657044943 /nfs/dbraw/zinc/04/49/43/657044943.db2.gz RBLYLGLCBPFSKX-CYBMUJFWSA-N 2 2 296.415 -0.345 20 0 CBADLP CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001008530617 657048286 /nfs/dbraw/zinc/04/82/86/657048286.db2.gz BEKYWKWLSFNNDU-CHWSQXEVSA-N 2 2 296.415 -0.345 20 0 CBADLP CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001008530617 657048288 /nfs/dbraw/zinc/04/82/88/657048288.db2.gz BEKYWKWLSFNNDU-CHWSQXEVSA-N 2 2 296.415 -0.345 20 0 CBADLP CNC(=O)C[NH+]1CCC[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001008530617 657048291 /nfs/dbraw/zinc/04/82/91/657048291.db2.gz BEKYWKWLSFNNDU-CHWSQXEVSA-N 2 2 296.415 -0.345 20 0 CBADLP CNC(=O)C[NH+]1CCC[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001008530617 657048294 /nfs/dbraw/zinc/04/82/94/657048294.db2.gz BEKYWKWLSFNNDU-CHWSQXEVSA-N 2 2 296.415 -0.345 20 0 CBADLP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCC[NH+](CC(N)=O)C2)C1 ZINC001009201480 657068485 /nfs/dbraw/zinc/06/84/85/657068485.db2.gz KTJUWTHQUYFASQ-NWDGAFQWSA-N 2 2 282.388 -0.606 20 0 CBADLP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCC[NH+](CC(N)=O)C2)C1 ZINC001009201480 657068490 /nfs/dbraw/zinc/06/84/90/657068490.db2.gz KTJUWTHQUYFASQ-NWDGAFQWSA-N 2 2 282.388 -0.606 20 0 CBADLP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2CCC[N@H+](CC(N)=O)C2)C1 ZINC001009201480 657068494 /nfs/dbraw/zinc/06/84/94/657068494.db2.gz KTJUWTHQUYFASQ-NWDGAFQWSA-N 2 2 282.388 -0.606 20 0 CBADLP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)C2)C1 ZINC001009201480 657068499 /nfs/dbraw/zinc/06/84/99/657068499.db2.gz KTJUWTHQUYFASQ-NWDGAFQWSA-N 2 2 282.388 -0.606 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CCC[N@H+](CCO)C1 ZINC001009210885 657068554 /nfs/dbraw/zinc/06/85/54/657068554.db2.gz YVXCFACAHOATHJ-NSHDSACASA-N 2 2 266.345 -0.465 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CCC[N@@H+](CCO)C1 ZINC001009210885 657068558 /nfs/dbraw/zinc/06/85/58/657068558.db2.gz YVXCFACAHOATHJ-NSHDSACASA-N 2 2 266.345 -0.465 20 0 CBADLP C[C@H](O)C[N@@H+]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001009205591 657069107 /nfs/dbraw/zinc/06/91/07/657069107.db2.gz BFARKQIEFGDXHG-RYUDHWBXSA-N 2 2 280.372 -0.076 20 0 CBADLP C[C@H](O)C[N@H+]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001009205591 657069112 /nfs/dbraw/zinc/06/91/12/657069112.db2.gz BFARKQIEFGDXHG-RYUDHWBXSA-N 2 2 280.372 -0.076 20 0 CBADLP O=C(C[NH+]1CCCC1)N[C@H]1CCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001009518663 657076668 /nfs/dbraw/zinc/07/66/68/657076668.db2.gz RQRSYLPJFFOAMM-STQMWFEESA-N 2 2 294.399 -0.449 20 0 CBADLP O=C(C[NH+]1CCCC1)N[C@H]1CCC[N@H+]([C@H]2CCNC2=O)C1 ZINC001009518663 657076672 /nfs/dbraw/zinc/07/66/72/657076672.db2.gz RQRSYLPJFFOAMM-STQMWFEESA-N 2 2 294.399 -0.449 20 0 CBADLP CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001009526465 657078612 /nfs/dbraw/zinc/07/86/12/657078612.db2.gz YSSIKMGGZLSFRJ-LBPRGKRZSA-N 2 2 293.371 -0.482 20 0 CBADLP CNC(=O)C[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001009526465 657078618 /nfs/dbraw/zinc/07/86/18/657078618.db2.gz YSSIKMGGZLSFRJ-LBPRGKRZSA-N 2 2 293.371 -0.482 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CCC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001009524240 657078870 /nfs/dbraw/zinc/07/88/70/657078870.db2.gz NLNODRSOGHKRFD-JQWIXIFHSA-N 2 2 293.371 -0.354 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CCC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001009524240 657078873 /nfs/dbraw/zinc/07/88/73/657078873.db2.gz NLNODRSOGHKRFD-JQWIXIFHSA-N 2 2 293.371 -0.354 20 0 CBADLP CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001009526464 657079315 /nfs/dbraw/zinc/07/93/15/657079315.db2.gz YSSIKMGGZLSFRJ-GFCCVEGCSA-N 2 2 293.371 -0.482 20 0 CBADLP CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001009526464 657079318 /nfs/dbraw/zinc/07/93/18/657079318.db2.gz YSSIKMGGZLSFRJ-GFCCVEGCSA-N 2 2 293.371 -0.482 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CCCCC[NH2+]2)CC1 ZINC000911562342 657079295 /nfs/dbraw/zinc/07/92/95/657079295.db2.gz KPNWLMFSCLGGAJ-ZDUSSCGKSA-N 2 2 296.415 -0.201 20 0 CBADLP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CC[NH+](CCCF)CC1 ZINC000911591263 657082634 /nfs/dbraw/zinc/08/26/34/657082634.db2.gz YTKOJAGQDKFZOM-JSGCOSHPSA-N 2 2 287.379 -0.055 20 0 CBADLP C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CC[NH+](CCCF)CC1 ZINC000911591263 657082640 /nfs/dbraw/zinc/08/26/40/657082640.db2.gz YTKOJAGQDKFZOM-JSGCOSHPSA-N 2 2 287.379 -0.055 20 0 CBADLP C[C@H]1C[NH2+]CCN1C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000911725520 657116325 /nfs/dbraw/zinc/11/63/25/657116325.db2.gz VZTMAXVYUIJCGO-MJBXVCDLSA-N 2 2 297.399 -0.314 20 0 CBADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000911875618 657152851 /nfs/dbraw/zinc/15/28/51/657152851.db2.gz RMPRBPYZWYPBSK-IJLUTSLNSA-N 2 2 277.372 -0.375 20 0 CBADLP C[C@H]([NH3+])[C@@H]1CN(C(=O)C[C@@H]([NH3+])C(F)F)CCO1 ZINC000911885617 657157503 /nfs/dbraw/zinc/15/75/03/657157503.db2.gz YNSMDPZWRHVIAN-RNJXMRFFSA-N 2 2 251.277 -0.457 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH+](CCCF)C2)C1 ZINC001010427640 657185204 /nfs/dbraw/zinc/18/52/04/657185204.db2.gz MJFYAVMIBJGNCV-NEPJUHHUSA-N 2 2 273.352 -0.133 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH+](CCCF)C2)C1 ZINC001010427640 657185207 /nfs/dbraw/zinc/18/52/07/657185207.db2.gz MJFYAVMIBJGNCV-NEPJUHHUSA-N 2 2 273.352 -0.133 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2CC[N@H+](CCCF)C2)C1 ZINC001010427640 657185214 /nfs/dbraw/zinc/18/52/14/657185214.db2.gz MJFYAVMIBJGNCV-NEPJUHHUSA-N 2 2 273.352 -0.133 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2CC[N@@H+](CCCF)C2)C1 ZINC001010427640 657185218 /nfs/dbraw/zinc/18/52/18/657185218.db2.gz MJFYAVMIBJGNCV-NEPJUHHUSA-N 2 2 273.352 -0.133 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](CCCF)C2)C1 ZINC001010427643 657185597 /nfs/dbraw/zinc/18/55/97/657185597.db2.gz MJFYAVMIBJGNCV-RYUDHWBXSA-N 2 2 273.352 -0.133 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](CCCF)C2)C1 ZINC001010427643 657185603 /nfs/dbraw/zinc/18/56/03/657185603.db2.gz MJFYAVMIBJGNCV-RYUDHWBXSA-N 2 2 273.352 -0.133 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@H+](CCCF)C2)C1 ZINC001010427643 657185605 /nfs/dbraw/zinc/18/56/05/657185605.db2.gz MJFYAVMIBJGNCV-RYUDHWBXSA-N 2 2 273.352 -0.133 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@@H+](CCCF)C2)C1 ZINC001010427643 657185606 /nfs/dbraw/zinc/18/56/06/657185606.db2.gz MJFYAVMIBJGNCV-RYUDHWBXSA-N 2 2 273.352 -0.133 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CC[NH+](CCCF)C2)C1 ZINC001010427644 657185623 /nfs/dbraw/zinc/18/56/23/657185623.db2.gz MJFYAVMIBJGNCV-VXGBXAGGSA-N 2 2 273.352 -0.133 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CC[NH+](CCCF)C2)C1 ZINC001010427644 657185628 /nfs/dbraw/zinc/18/56/28/657185628.db2.gz MJFYAVMIBJGNCV-VXGBXAGGSA-N 2 2 273.352 -0.133 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2CC[N@H+](CCCF)C2)C1 ZINC001010427644 657185634 /nfs/dbraw/zinc/18/56/34/657185634.db2.gz MJFYAVMIBJGNCV-VXGBXAGGSA-N 2 2 273.352 -0.133 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2CC[N@@H+](CCCF)C2)C1 ZINC001010427644 657185640 /nfs/dbraw/zinc/18/56/40/657185640.db2.gz MJFYAVMIBJGNCV-VXGBXAGGSA-N 2 2 273.352 -0.133 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N[C@]2(C)C[NH+]3CCC2CC3)C1 ZINC000912379282 657241748 /nfs/dbraw/zinc/24/17/48/657241748.db2.gz NGMFJPSZXQKUAZ-GXTWGEPZSA-N 2 2 267.373 -0.083 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N[C@]2(C)C[NH+]3CCC2CC3)C1 ZINC000912379282 657241763 /nfs/dbraw/zinc/24/17/63/657241763.db2.gz NGMFJPSZXQKUAZ-GXTWGEPZSA-N 2 2 267.373 -0.083 20 0 CBADLP C[NH+](C)CC1(C(=O)N2CC[N@H+](C)C[C@@H]2CO)CC1 ZINC000912735633 657318161 /nfs/dbraw/zinc/31/81/61/657318161.db2.gz CCNJTMYHAKPKBY-LLVKDONJSA-N 2 2 255.362 -0.537 20 0 CBADLP C[NH+](C)CC1(C(=O)N2CC[N@@H+](C)C[C@@H]2CO)CC1 ZINC000912735633 657318165 /nfs/dbraw/zinc/31/81/65/657318165.db2.gz CCNJTMYHAKPKBY-LLVKDONJSA-N 2 2 255.362 -0.537 20 0 CBADLP C[NH+](C)CCn1nccc1C(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000912736829 657322692 /nfs/dbraw/zinc/32/26/92/657322692.db2.gz ZBNITZYRCABRCN-GFCCVEGCSA-N 2 2 295.387 -0.807 20 0 CBADLP C[NH+](C)CCn1nccc1C(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000912736829 657322698 /nfs/dbraw/zinc/32/26/98/657322698.db2.gz ZBNITZYRCABRCN-GFCCVEGCSA-N 2 2 295.387 -0.807 20 0 CBADLP C[N@@H+]1CCN(C(=O)C2CC[NH+](C3CC3)CC2)[C@H](CO)C1 ZINC000912738701 657328117 /nfs/dbraw/zinc/32/81/17/657328117.db2.gz IQANLJYCQATXPC-AWEZNQCLSA-N 2 2 281.400 -0.004 20 0 CBADLP C[N@H+]1CCN(C(=O)C2CC[NH+](C3CC3)CC2)[C@H](CO)C1 ZINC000912738701 657328125 /nfs/dbraw/zinc/32/81/25/657328125.db2.gz IQANLJYCQATXPC-AWEZNQCLSA-N 2 2 281.400 -0.004 20 0 CBADLP C[N@@H+]1CCN(C(=O)CCCC[NH+]2CCOCC2)[C@H](CO)C1 ZINC000912739624 657330960 /nfs/dbraw/zinc/33/09/60/657330960.db2.gz CQSVPSSZXVWBAL-AWEZNQCLSA-N 2 2 299.415 -0.376 20 0 CBADLP C[N@H+]1CCN(C(=O)CCCC[NH+]2CCOCC2)[C@H](CO)C1 ZINC000912739624 657330965 /nfs/dbraw/zinc/33/09/65/657330965.db2.gz CQSVPSSZXVWBAL-AWEZNQCLSA-N 2 2 299.415 -0.376 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000912741078 657332588 /nfs/dbraw/zinc/33/25/88/657332588.db2.gz KTPLQPREIMVVPW-STQMWFEESA-N 2 2 285.388 -0.910 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000912741078 657332597 /nfs/dbraw/zinc/33/25/97/657332597.db2.gz KTPLQPREIMVVPW-STQMWFEESA-N 2 2 285.388 -0.910 20 0 CBADLP O=C(NCC[N@@H+]1CCC2(C1)OCCO2)C12CC[NH+](CC1)C2 ZINC000912897242 657356294 /nfs/dbraw/zinc/35/62/94/657356294.db2.gz MYXSULKKNBNINY-UHFFFAOYSA-N 2 2 295.383 -0.353 20 0 CBADLP O=C(NCC[N@H+]1CCC2(C1)OCCO2)C12CC[NH+](CC1)C2 ZINC000912897242 657356298 /nfs/dbraw/zinc/35/62/98/657356298.db2.gz MYXSULKKNBNINY-UHFFFAOYSA-N 2 2 295.383 -0.353 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH+]3CCC3)C2)C1 ZINC000912916145 657358604 /nfs/dbraw/zinc/35/86/04/657358604.db2.gz UPDAFCFTNMPRJM-NEPJUHHUSA-N 2 2 253.346 -0.376 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH+]3CCC3)C2)C1 ZINC000912916145 657358613 /nfs/dbraw/zinc/35/86/13/657358613.db2.gz UPDAFCFTNMPRJM-NEPJUHHUSA-N 2 2 253.346 -0.376 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH+]3CCC3)C2)C1 ZINC000912916152 657358855 /nfs/dbraw/zinc/35/88/55/657358855.db2.gz UPDAFCFTNMPRJM-RYUDHWBXSA-N 2 2 253.346 -0.376 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH+]3CCC3)C2)C1 ZINC000912916152 657358862 /nfs/dbraw/zinc/35/88/62/657358862.db2.gz UPDAFCFTNMPRJM-RYUDHWBXSA-N 2 2 253.346 -0.376 20 0 CBADLP NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001014462412 657361651 /nfs/dbraw/zinc/36/16/51/657361651.db2.gz DCTDOKSPZPSVKY-NWDGAFQWSA-N 2 2 280.372 -0.996 20 0 CBADLP NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001014462412 657361655 /nfs/dbraw/zinc/36/16/55/657361655.db2.gz DCTDOKSPZPSVKY-NWDGAFQWSA-N 2 2 280.372 -0.996 20 0 CBADLP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001014704851 657377917 /nfs/dbraw/zinc/37/79/17/657377917.db2.gz NELHWIAKLVKMBE-STQMWFEESA-N 2 2 296.415 -0.360 20 0 CBADLP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001014704851 657377924 /nfs/dbraw/zinc/37/79/24/657377924.db2.gz NELHWIAKLVKMBE-STQMWFEESA-N 2 2 296.415 -0.360 20 0 CBADLP CC(C)C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)C1 ZINC001014704851 657377931 /nfs/dbraw/zinc/37/79/31/657377931.db2.gz NELHWIAKLVKMBE-STQMWFEESA-N 2 2 296.415 -0.360 20 0 CBADLP CC(C)C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)C1 ZINC001014704851 657377936 /nfs/dbraw/zinc/37/79/36/657377936.db2.gz NELHWIAKLVKMBE-STQMWFEESA-N 2 2 296.415 -0.360 20 0 CBADLP O=C(CNc1cccc[nH+]1)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000913171057 657391742 /nfs/dbraw/zinc/39/17/42/657391742.db2.gz CUPOWEIGYDCTCE-LLVKDONJSA-N 2 2 264.329 -0.324 20 0 CBADLP CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001014964195 657392701 /nfs/dbraw/zinc/39/27/01/657392701.db2.gz QGBUFFTVWVRMNX-STQMWFEESA-N 2 2 296.415 -0.251 20 0 CBADLP CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001014964195 657392708 /nfs/dbraw/zinc/39/27/08/657392708.db2.gz QGBUFFTVWVRMNX-STQMWFEESA-N 2 2 296.415 -0.251 20 0 CBADLP CN(C)C(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001014964195 657392716 /nfs/dbraw/zinc/39/27/16/657392716.db2.gz QGBUFFTVWVRMNX-STQMWFEESA-N 2 2 296.415 -0.251 20 0 CBADLP CN(C)C(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001014964195 657392725 /nfs/dbraw/zinc/39/27/25/657392725.db2.gz QGBUFFTVWVRMNX-STQMWFEESA-N 2 2 296.415 -0.251 20 0 CBADLP O=C(N[C@@H]1CC[N@@H+](CCO)C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001015012361 657398470 /nfs/dbraw/zinc/39/84/70/657398470.db2.gz CXLYTRPSHDNEDQ-VXGBXAGGSA-N 2 2 278.356 -0.372 20 0 CBADLP O=C(N[C@@H]1CC[N@H+](CCO)C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001015012361 657398477 /nfs/dbraw/zinc/39/84/77/657398477.db2.gz CXLYTRPSHDNEDQ-VXGBXAGGSA-N 2 2 278.356 -0.372 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001015286369 657429316 /nfs/dbraw/zinc/42/93/16/657429316.db2.gz OPQORVWUJOJFRI-NSHDSACASA-N 2 2 279.344 -0.872 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001015286369 657429326 /nfs/dbraw/zinc/42/93/26/657429326.db2.gz OPQORVWUJOJFRI-NSHDSACASA-N 2 2 279.344 -0.872 20 0 CBADLP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001015596256 657468253 /nfs/dbraw/zinc/46/82/53/657468253.db2.gz ABXOKFVDTQJMFN-QWHCGFSZSA-N 2 2 296.415 -0.216 20 0 CBADLP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001015596256 657468280 /nfs/dbraw/zinc/46/82/80/657468280.db2.gz ABXOKFVDTQJMFN-QWHCGFSZSA-N 2 2 296.415 -0.216 20 0 CBADLP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)C1 ZINC001015596256 657468309 /nfs/dbraw/zinc/46/83/09/657468309.db2.gz ABXOKFVDTQJMFN-QWHCGFSZSA-N 2 2 296.415 -0.216 20 0 CBADLP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)C1 ZINC001015596256 657468334 /nfs/dbraw/zinc/46/83/34/657468334.db2.gz ABXOKFVDTQJMFN-QWHCGFSZSA-N 2 2 296.415 -0.216 20 0 CBADLP CN(C[C@@H]1C[N@H+](C)CCO1)C(=O)C[C@@]1(O)CCC[NH+](C)C1 ZINC000913508155 657482945 /nfs/dbraw/zinc/48/29/45/657482945.db2.gz WMHVWKOKSBIATC-ZFWWWQNUSA-N 2 2 299.415 -0.378 20 0 CBADLP CN(C[C@@H]1C[N@@H+](C)CCO1)C(=O)C[C@@]1(O)CCC[NH+](C)C1 ZINC000913508155 657482950 /nfs/dbraw/zinc/48/29/50/657482950.db2.gz WMHVWKOKSBIATC-ZFWWWQNUSA-N 2 2 299.415 -0.378 20 0 CBADLP CN(C[C@@H]1C[NH+](C)CCO1)C(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000913508155 657482956 /nfs/dbraw/zinc/48/29/56/657482956.db2.gz WMHVWKOKSBIATC-ZFWWWQNUSA-N 2 2 299.415 -0.378 20 0 CBADLP CN(C[C@@H]1C[NH+](C)CCO1)C(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000913508155 657482961 /nfs/dbraw/zinc/48/29/61/657482961.db2.gz WMHVWKOKSBIATC-ZFWWWQNUSA-N 2 2 299.415 -0.378 20 0 CBADLP C[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)CC1 ZINC001015648521 657506106 /nfs/dbraw/zinc/50/61/06/657506106.db2.gz HTDQRTRSPLAAHO-NSHDSACASA-N 2 2 268.361 -0.996 20 0 CBADLP C[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)CC1 ZINC001015648521 657506115 /nfs/dbraw/zinc/50/61/15/657506115.db2.gz HTDQRTRSPLAAHO-NSHDSACASA-N 2 2 268.361 -0.996 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001015701504 657519804 /nfs/dbraw/zinc/51/98/04/657519804.db2.gz GGSLENWQIYCLBH-VXGBXAGGSA-N 2 2 282.388 -0.593 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001015701504 657519812 /nfs/dbraw/zinc/51/98/12/657519812.db2.gz GGSLENWQIYCLBH-VXGBXAGGSA-N 2 2 282.388 -0.593 20 0 CBADLP CNC(=O)C[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001015701504 657519823 /nfs/dbraw/zinc/51/98/23/657519823.db2.gz GGSLENWQIYCLBH-VXGBXAGGSA-N 2 2 282.388 -0.593 20 0 CBADLP CNC(=O)C[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001015701504 657519834 /nfs/dbraw/zinc/51/98/34/657519834.db2.gz GGSLENWQIYCLBH-VXGBXAGGSA-N 2 2 282.388 -0.593 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001015701502 657521293 /nfs/dbraw/zinc/52/12/93/657521293.db2.gz GGSLENWQIYCLBH-NWDGAFQWSA-N 2 2 282.388 -0.593 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001015701502 657521305 /nfs/dbraw/zinc/52/13/05/657521305.db2.gz GGSLENWQIYCLBH-NWDGAFQWSA-N 2 2 282.388 -0.593 20 0 CBADLP CNC(=O)C[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001015701502 657521314 /nfs/dbraw/zinc/52/13/14/657521314.db2.gz GGSLENWQIYCLBH-NWDGAFQWSA-N 2 2 282.388 -0.593 20 0 CBADLP CNC(=O)C[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001015701502 657521318 /nfs/dbraw/zinc/52/13/18/657521318.db2.gz GGSLENWQIYCLBH-NWDGAFQWSA-N 2 2 282.388 -0.593 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001015707166 657522862 /nfs/dbraw/zinc/52/28/62/657522862.db2.gz NDWOKIKDFJJSPW-NEPJUHHUSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001015707166 657522882 /nfs/dbraw/zinc/52/28/82/657522882.db2.gz NDWOKIKDFJJSPW-NEPJUHHUSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001015707166 657522887 /nfs/dbraw/zinc/52/28/87/657522887.db2.gz NDWOKIKDFJJSPW-NEPJUHHUSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001015707166 657522889 /nfs/dbraw/zinc/52/28/89/657522889.db2.gz NDWOKIKDFJJSPW-NEPJUHHUSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CC[NH+](CC(=O)N(C)C)C2)C1 ZINC001015705938 657524337 /nfs/dbraw/zinc/52/43/37/657524337.db2.gz QSGGJNAGBHRQPQ-OLZOCXBDSA-N 2 2 296.415 -0.393 20 0 CBADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CC[NH+](CC(=O)N(C)C)C2)C1 ZINC001015705938 657524341 /nfs/dbraw/zinc/52/43/41/657524341.db2.gz QSGGJNAGBHRQPQ-OLZOCXBDSA-N 2 2 296.415 -0.393 20 0 CBADLP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CC[N@H+](CC(=O)N(C)C)C2)C1 ZINC001015705938 657524347 /nfs/dbraw/zinc/52/43/47/657524347.db2.gz QSGGJNAGBHRQPQ-OLZOCXBDSA-N 2 2 296.415 -0.393 20 0 CBADLP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CC[N@@H+](CC(=O)N(C)C)C2)C1 ZINC001015705938 657524352 /nfs/dbraw/zinc/52/43/52/657524352.db2.gz QSGGJNAGBHRQPQ-OLZOCXBDSA-N 2 2 296.415 -0.393 20 0 CBADLP C[N@@H+]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@@H]1CO ZINC000913545900 657524327 /nfs/dbraw/zinc/52/43/27/657524327.db2.gz CWTIKLRIJGNDIF-KGLIPLIRSA-N 2 2 281.400 -0.004 20 0 CBADLP C[N@H+]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@@H]1CO ZINC000913545900 657524338 /nfs/dbraw/zinc/52/43/38/657524338.db2.gz CWTIKLRIJGNDIF-KGLIPLIRSA-N 2 2 281.400 -0.004 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001015707170 657524727 /nfs/dbraw/zinc/52/47/27/657524727.db2.gz NDWOKIKDFJJSPW-VXGBXAGGSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001015707170 657524731 /nfs/dbraw/zinc/52/47/31/657524731.db2.gz NDWOKIKDFJJSPW-VXGBXAGGSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001015707170 657524741 /nfs/dbraw/zinc/52/47/41/657524741.db2.gz NDWOKIKDFJJSPW-VXGBXAGGSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001015707170 657524747 /nfs/dbraw/zinc/52/47/47/657524747.db2.gz NDWOKIKDFJJSPW-VXGBXAGGSA-N 2 2 296.415 -0.217 20 0 CBADLP C[N@H+](CC(=O)N1CC[NH+](C)[C@H](CO)C1)[C@H]1CCSC1 ZINC000913547856 657527756 /nfs/dbraw/zinc/52/77/56/657527756.db2.gz XZPRNXBQYWKUJU-RYUDHWBXSA-N 2 2 287.429 -0.441 20 0 CBADLP C[N@@H+](CC(=O)N1CC[NH+](C)[C@H](CO)C1)[C@H]1CCSC1 ZINC000913547856 657527765 /nfs/dbraw/zinc/52/77/65/657527765.db2.gz XZPRNXBQYWKUJU-RYUDHWBXSA-N 2 2 287.429 -0.441 20 0 CBADLP C[NH+](CC(=O)N1CC[N@H+](C)[C@H](CO)C1)[C@H]1CCSC1 ZINC000913547856 657527777 /nfs/dbraw/zinc/52/77/77/657527777.db2.gz XZPRNXBQYWKUJU-RYUDHWBXSA-N 2 2 287.429 -0.441 20 0 CBADLP C[NH+](CC(=O)N1CC[N@@H+](C)[C@H](CO)C1)[C@H]1CCSC1 ZINC000913547856 657527784 /nfs/dbraw/zinc/52/77/84/657527784.db2.gz XZPRNXBQYWKUJU-RYUDHWBXSA-N 2 2 287.429 -0.441 20 0 CBADLP CC[N@H+](CC(=O)N1CC[NH+](C)[C@@H](CO)C1)C1CC1 ZINC000913547475 657528197 /nfs/dbraw/zinc/52/81/97/657528197.db2.gz OZNKPYPIYLNYGG-GFCCVEGCSA-N 2 2 255.362 -0.394 20 0 CBADLP CC[N@@H+](CC(=O)N1CC[NH+](C)[C@@H](CO)C1)C1CC1 ZINC000913547475 657528205 /nfs/dbraw/zinc/52/82/05/657528205.db2.gz OZNKPYPIYLNYGG-GFCCVEGCSA-N 2 2 255.362 -0.394 20 0 CBADLP CC[NH+](CC(=O)N1CC[N@H+](C)[C@@H](CO)C1)C1CC1 ZINC000913547475 657528213 /nfs/dbraw/zinc/52/82/13/657528213.db2.gz OZNKPYPIYLNYGG-GFCCVEGCSA-N 2 2 255.362 -0.394 20 0 CBADLP CC[NH+](CC(=O)N1CC[N@@H+](C)[C@@H](CO)C1)C1CC1 ZINC000913547475 657528219 /nfs/dbraw/zinc/52/82/19/657528219.db2.gz OZNKPYPIYLNYGG-GFCCVEGCSA-N 2 2 255.362 -0.394 20 0 CBADLP C[NH+]1CCCC[C@H]1C(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000913549208 657531700 /nfs/dbraw/zinc/53/17/00/657531700.db2.gz XUWKTWIATOQZBL-NEPJUHHUSA-N 2 2 255.362 -0.394 20 0 CBADLP C[NH+]1CCCC[C@H]1C(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000913549208 657531728 /nfs/dbraw/zinc/53/17/28/657531728.db2.gz XUWKTWIATOQZBL-NEPJUHHUSA-N 2 2 255.362 -0.394 20 0 CBADLP C[NH+]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@@H]1CO ZINC000913549208 657531748 /nfs/dbraw/zinc/53/17/48/657531748.db2.gz XUWKTWIATOQZBL-NEPJUHHUSA-N 2 2 255.362 -0.394 20 0 CBADLP C[NH+]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@@H]1CO ZINC000913549208 657531755 /nfs/dbraw/zinc/53/17/55/657531755.db2.gz XUWKTWIATOQZBL-NEPJUHHUSA-N 2 2 255.362 -0.394 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@H+](CCCO)C1 ZINC001016115854 657642625 /nfs/dbraw/zinc/64/26/25/657642625.db2.gz ZZDJWPOQKRNICA-NSHDSACASA-N 2 2 266.345 -0.166 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@@H+](CCCO)C1 ZINC001016115854 657642629 /nfs/dbraw/zinc/64/26/29/657642629.db2.gz ZZDJWPOQKRNICA-NSHDSACASA-N 2 2 266.345 -0.166 20 0 CBADLP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@H]2CC[N@@H+]2C)CC1 ZINC000914116577 657657779 /nfs/dbraw/zinc/65/77/79/657657779.db2.gz SDYAIQVSDCYUJP-GFCCVEGCSA-N 2 2 297.403 -0.800 20 0 CBADLP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@H]2CC[N@H+]2C)CC1 ZINC000914116577 657657791 /nfs/dbraw/zinc/65/77/91/657657791.db2.gz SDYAIQVSDCYUJP-GFCCVEGCSA-N 2 2 297.403 -0.800 20 0 CBADLP C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001016251403 657669004 /nfs/dbraw/zinc/66/90/04/657669004.db2.gz LNCJYFYRVNDEDC-CHWSQXEVSA-N 2 2 296.415 -0.251 20 0 CBADLP C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001016251403 657669023 /nfs/dbraw/zinc/66/90/23/657669023.db2.gz LNCJYFYRVNDEDC-CHWSQXEVSA-N 2 2 296.415 -0.251 20 0 CBADLP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](CC(=O)NC3CC3)C2)C1 ZINC001016253453 657671865 /nfs/dbraw/zinc/67/18/65/657671865.db2.gz GAZXKKBAAPNGJN-YPMHNXCESA-N 2 2 294.399 -0.593 20 0 CBADLP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](CC(=O)NC3CC3)C2)C1 ZINC001016253453 657671868 /nfs/dbraw/zinc/67/18/68/657671868.db2.gz GAZXKKBAAPNGJN-YPMHNXCESA-N 2 2 294.399 -0.593 20 0 CBADLP C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@H+](CC(=O)NC3CC3)C2)C1 ZINC001016253453 657671877 /nfs/dbraw/zinc/67/18/77/657671877.db2.gz GAZXKKBAAPNGJN-YPMHNXCESA-N 2 2 294.399 -0.593 20 0 CBADLP C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@@H+](CC(=O)NC3CC3)C2)C1 ZINC001016253453 657671887 /nfs/dbraw/zinc/67/18/87/657671887.db2.gz GAZXKKBAAPNGJN-YPMHNXCESA-N 2 2 294.399 -0.593 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001016252832 657672172 /nfs/dbraw/zinc/67/21/72/657672172.db2.gz VEBUBVTXHJMYNH-RYUDHWBXSA-N 2 2 282.388 -0.593 20 0 CBADLP CNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001016252832 657672175 /nfs/dbraw/zinc/67/21/75/657672175.db2.gz VEBUBVTXHJMYNH-RYUDHWBXSA-N 2 2 282.388 -0.593 20 0 CBADLP Cn1nncc1C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001016254724 657674024 /nfs/dbraw/zinc/67/40/24/657674024.db2.gz KELIOZSCNYYZOH-NEPJUHHUSA-N 2 2 292.387 -0.543 20 0 CBADLP Cn1nncc1C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001016254724 657674031 /nfs/dbraw/zinc/67/40/31/657674031.db2.gz KELIOZSCNYYZOH-NEPJUHHUSA-N 2 2 292.387 -0.543 20 0 CBADLP Cn1nncc1C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001016254724 657674054 /nfs/dbraw/zinc/67/40/54/657674054.db2.gz KELIOZSCNYYZOH-NEPJUHHUSA-N 2 2 292.387 -0.543 20 0 CBADLP Cn1nncc1C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001016254724 657674065 /nfs/dbraw/zinc/67/40/65/657674065.db2.gz KELIOZSCNYYZOH-NEPJUHHUSA-N 2 2 292.387 -0.543 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C)C1 ZINC001016259786 657675032 /nfs/dbraw/zinc/67/50/32/657675032.db2.gz KGYOFMIFGZEOIP-LBPRGKRZSA-N 2 2 293.371 -0.530 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](CC(=O)N(C)C)C1 ZINC001016259786 657675037 /nfs/dbraw/zinc/67/50/37/657675037.db2.gz KGYOFMIFGZEOIP-LBPRGKRZSA-N 2 2 293.371 -0.530 20 0 CBADLP C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001016398719 657699863 /nfs/dbraw/zinc/69/98/63/657699863.db2.gz WIGZJSJGSNKPDB-NEPJUHHUSA-N 2 2 293.371 -0.450 20 0 CBADLP C[C@H](C(=O)N(C)C)[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001016398719 657699866 /nfs/dbraw/zinc/69/98/66/657699866.db2.gz WIGZJSJGSNKPDB-NEPJUHHUSA-N 2 2 293.371 -0.450 20 0 CBADLP Cc1cc(NC[C@@H](O)C[NH+]2CCOCC2)nc(N)[nH+]1 ZINC000914570918 657711150 /nfs/dbraw/zinc/71/11/50/657711150.db2.gz LASAOEXMSBROPP-SNVBAGLBSA-N 2 2 267.333 -0.528 20 0 CBADLP C[C@@H](CNC(=S)NCC[NH+](C)C)[NH+]1CCOCC1 ZINC000914705399 657717575 /nfs/dbraw/zinc/71/75/75/657717575.db2.gz VTZIUGZFCKXIBP-NSHDSACASA-N 2 2 274.434 -0.267 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC12CC[NH+](CCO)CC2 ZINC001016995513 657742908 /nfs/dbraw/zinc/74/29/08/657742908.db2.gz RNDJUTSHWNQJNI-GFCCVEGCSA-N 2 2 278.356 -0.154 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)NC[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1C ZINC000916882181 657791940 /nfs/dbraw/zinc/79/19/40/657791940.db2.gz FQDBGFNWKXLQII-UTUOFQBUSA-N 2 2 270.377 -0.291 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)NC[C@@H]2C[NH+](C)CCO2)CC[N@H+]1C ZINC000916882181 657791944 /nfs/dbraw/zinc/79/19/44/657791944.db2.gz FQDBGFNWKXLQII-UTUOFQBUSA-N 2 2 270.377 -0.291 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)NC[C@@H]2C[N@H+](C)CCO2)CC[NH+]1C ZINC000916882181 657791949 /nfs/dbraw/zinc/79/19/49/657791949.db2.gz FQDBGFNWKXLQII-UTUOFQBUSA-N 2 2 270.377 -0.291 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1C ZINC000916882181 657791952 /nfs/dbraw/zinc/79/19/52/657791952.db2.gz FQDBGFNWKXLQII-UTUOFQBUSA-N 2 2 270.377 -0.291 20 0 CBADLP C[NH+](C)C1CC(NS(=O)(=O)CCn2cc[nH+]c2)C1 ZINC000916907747 657793817 /nfs/dbraw/zinc/79/38/17/657793817.db2.gz PFAPEBVHJPJXGN-UHFFFAOYSA-N 2 2 272.374 -0.105 20 0 CBADLP O=C1NCCN1C1CC[NH+](C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000917012285 657796673 /nfs/dbraw/zinc/79/66/73/657796673.db2.gz FPDAKCTZDZHWTH-CQSZACIVSA-N 2 2 296.415 -0.067 20 0 CBADLP CC[N@@H+]1CCO[C@@H](CNC(=O)NC[C@H]2CC[NH+]2C)C1 ZINC000919128295 657844562 /nfs/dbraw/zinc/84/45/62/657844562.db2.gz WAWNUXOQHNKLFV-NEPJUHHUSA-N 2 2 270.377 -0.290 20 0 CBADLP CC[N@H+]1CCO[C@@H](CNC(=O)NC[C@H]2CC[NH+]2C)C1 ZINC000919128295 657844567 /nfs/dbraw/zinc/84/45/67/657844567.db2.gz WAWNUXOQHNKLFV-NEPJUHHUSA-N 2 2 270.377 -0.290 20 0 CBADLP CC[NH+]1CCO[C@@H](CNC(=O)NC[C@H]2CC[N@@H+]2C)C1 ZINC000919128295 657844568 /nfs/dbraw/zinc/84/45/68/657844568.db2.gz WAWNUXOQHNKLFV-NEPJUHHUSA-N 2 2 270.377 -0.290 20 0 CBADLP CC[NH+]1CCO[C@@H](CNC(=O)NC[C@H]2CC[N@H+]2C)C1 ZINC000919128295 657844569 /nfs/dbraw/zinc/84/45/69/657844569.db2.gz WAWNUXOQHNKLFV-NEPJUHHUSA-N 2 2 270.377 -0.290 20 0 CBADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CC[C@H]([NH2+]CCO)C1 ZINC001019061373 657861607 /nfs/dbraw/zinc/86/16/07/657861607.db2.gz ZWYVMDCMCQXZRN-NEPJUHHUSA-N 2 2 278.356 -0.372 20 0 CBADLP C[C@H](O)C[NH2+][C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001019181701 657869014 /nfs/dbraw/zinc/86/90/14/657869014.db2.gz SESGXQNCPXQPAB-RYUDHWBXSA-N 2 2 280.372 -0.076 20 0 CBADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H]([NH2+]CC(N)=O)C1 ZINC001019406423 657893521 /nfs/dbraw/zinc/89/35/21/657893521.db2.gz AVIOYMLZKRSXEG-HBNTYKKESA-N 2 2 291.355 -0.801 20 0 CBADLP CC[C@H]([NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1)C(N)=O ZINC001019435518 657894302 /nfs/dbraw/zinc/89/43/02/657894302.db2.gz HANLUOINHVMPPC-ONGXEEELSA-N 2 2 279.344 -0.593 20 0 CBADLP O=C(C[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1)N1CCC1 ZINC001019437702 657894448 /nfs/dbraw/zinc/89/44/48/657894448.db2.gz WXJILEYAJWIQBN-NSHDSACASA-N 2 2 291.355 -0.625 20 0 CBADLP Cn1nncc1C[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001019437628 657894973 /nfs/dbraw/zinc/89/49/73/657894973.db2.gz SPFVPZADDJXCMP-JTQLQIEISA-N 2 2 289.343 -0.529 20 0 CBADLP C[C@@H]([NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1)C(N)=O ZINC001019437587 657895139 /nfs/dbraw/zinc/89/51/39/657895139.db2.gz RRZXLVPPEQDCSK-BDAKNGLRSA-N 2 2 265.317 -0.984 20 0 CBADLP C[C@H](NC(=O)NC[C@@H]1CC[N@@H+]1C)[C@@H]1C[NH+](C)CCO1 ZINC000921553632 657918293 /nfs/dbraw/zinc/91/82/93/657918293.db2.gz KHWGXBVGOZBSKM-SRVKXCTJSA-N 2 2 270.377 -0.291 20 0 CBADLP C[C@H](NC(=O)NC[C@@H]1CC[N@H+]1C)[C@@H]1C[NH+](C)CCO1 ZINC000921553632 657918310 /nfs/dbraw/zinc/91/83/10/657918310.db2.gz KHWGXBVGOZBSKM-SRVKXCTJSA-N 2 2 270.377 -0.291 20 0 CBADLP C[C@H](NC(=O)NC[C@@H]1CC[NH+]1C)[C@@H]1C[N@H+](C)CCO1 ZINC000921553632 657918325 /nfs/dbraw/zinc/91/83/25/657918325.db2.gz KHWGXBVGOZBSKM-SRVKXCTJSA-N 2 2 270.377 -0.291 20 0 CBADLP C[C@H](NC(=O)NC[C@@H]1CC[NH+]1C)[C@@H]1C[N@@H+](C)CCO1 ZINC000921553632 657918343 /nfs/dbraw/zinc/91/83/43/657918343.db2.gz KHWGXBVGOZBSKM-SRVKXCTJSA-N 2 2 270.377 -0.291 20 0 CBADLP C[C@H]([NH2+][C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1)C(N)=O ZINC001019656776 657926629 /nfs/dbraw/zinc/92/66/29/657926629.db2.gz YAGRTPPXORPDFX-UWVGGRQHSA-N 2 2 293.371 -0.248 20 0 CBADLP CC(C)(C(=O)N1CC[C@H]([NH2+]CCO)C1)c1c[nH+]c[nH]1 ZINC001019656556 657926946 /nfs/dbraw/zinc/92/69/46/657926946.db2.gz MQZZXUAXLLCROY-JTQLQIEISA-N 2 2 266.345 -0.130 20 0 CBADLP C[C@H](O)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001019654182 657927287 /nfs/dbraw/zinc/92/72/87/657927287.db2.gz XPJLDDUNMZNDAV-QWRGUYRKSA-N 2 2 266.345 -0.466 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001019707555 657930439 /nfs/dbraw/zinc/93/04/39/657930439.db2.gz KOGDQEATIMOCAR-WDEREUQCSA-N 2 2 291.355 -0.660 20 0 CBADLP C[C@@H](O)C[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001019721824 657932979 /nfs/dbraw/zinc/93/29/79/657932979.db2.gz VXQKNIYMIZAVGL-NEPJUHHUSA-N 2 2 280.372 -0.076 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3cnon3)C2)C1 ZINC001020045841 657996647 /nfs/dbraw/zinc/99/66/47/657996647.db2.gz NGHFRTMNHBQSFL-NHCYSSNCSA-N 2 2 295.343 -0.863 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3cnon3)C2)C1 ZINC001020045841 657996673 /nfs/dbraw/zinc/99/66/73/657996673.db2.gz NGHFRTMNHBQSFL-NHCYSSNCSA-N 2 2 295.343 -0.863 20 0 CBADLP NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001020388626 658045779 /nfs/dbraw/zinc/04/57/79/658045779.db2.gz COAIGJWTVLOQTO-MGCOHNPYSA-N 2 2 287.323 -0.330 20 0 CBADLP CN(C)c1cc[nH+]cc1C[NH2+]C[C@]1(CO)COCCN1C ZINC000922531636 658054519 /nfs/dbraw/zinc/05/45/19/658054519.db2.gz AUZYOJOMMZCWRP-HNNXBMFYSA-N 2 2 294.399 -0.070 20 0 CBADLP CN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)C1=O ZINC001020633645 658081405 /nfs/dbraw/zinc/08/14/05/658081405.db2.gz UVQBLGNSXNTORZ-NHCYSSNCSA-N 2 2 291.355 -0.580 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001020818970 658095191 /nfs/dbraw/zinc/09/51/91/658095191.db2.gz MAFMOCLJACDDJC-XYPYZODXSA-N 2 2 291.355 -0.579 20 0 CBADLP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)C1)C(N)=O ZINC001020926537 658117143 /nfs/dbraw/zinc/11/71/43/658117143.db2.gz DOMBRKLEIGXKRG-OPRDCNLKSA-N 2 2 279.344 -0.927 20 0 CBADLP C[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001021126786 658153601 /nfs/dbraw/zinc/15/36/01/658153601.db2.gz WVDCIKILZPGNFS-GMTAPVOTSA-N 2 2 252.318 -0.499 20 0 CBADLP CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1)C(N)=O ZINC001021128508 658154338 /nfs/dbraw/zinc/15/43/38/658154338.db2.gz BSQFVCWDYDPXRT-GMTAPVOTSA-N 2 2 279.344 -0.616 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001021126735 658155044 /nfs/dbraw/zinc/15/50/44/658155044.db2.gz VUISRJMWQJRFMB-DCAQKATOSA-N 2 2 277.328 -0.992 20 0 CBADLP C[C@@H](CS(C)(=O)=O)[N@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923315027 658202653 /nfs/dbraw/zinc/20/26/53/658202653.db2.gz CHUKMJBGVBCZOA-WDEREUQCSA-N 2 2 276.402 -0.270 20 0 CBADLP C[C@@H](CS(C)(=O)=O)[N@@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923315027 658202674 /nfs/dbraw/zinc/20/26/74/658202674.db2.gz CHUKMJBGVBCZOA-WDEREUQCSA-N 2 2 276.402 -0.270 20 0 CBADLP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CCO[C@H](Cn3cccn3)C2)C1 ZINC000923323586 658210386 /nfs/dbraw/zinc/21/03/86/658210386.db2.gz VBEYBIVDFYBZJX-CYDGBPFRSA-N 2 2 266.345 -0.566 20 0 CBADLP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CCO[C@H](Cn3cccn3)C2)C1 ZINC000923323586 658210406 /nfs/dbraw/zinc/21/04/06/658210406.db2.gz VBEYBIVDFYBZJX-CYDGBPFRSA-N 2 2 266.345 -0.566 20 0 CBADLP [NH3+][C@@H]1C[C@H](O)[C@@H]([NH+]2CCN(c3ncccn3)CC2)C1 ZINC000923319145 658211487 /nfs/dbraw/zinc/21/14/87/658211487.db2.gz UYGXBDAXZCOQEE-SRVKXCTJSA-N 2 2 263.345 -0.551 20 0 CBADLP CCOCC[C@@H](O)C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000923334275 658223447 /nfs/dbraw/zinc/22/34/47/658223447.db2.gz VHBRKDSBPUSPHZ-ZIAGYGMSSA-N 2 2 299.415 -0.330 20 0 CBADLP CCOCC[C@@H](O)C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000923334275 658223467 /nfs/dbraw/zinc/22/34/67/658223467.db2.gz VHBRKDSBPUSPHZ-ZIAGYGMSSA-N 2 2 299.415 -0.330 20 0 CBADLP C[C@@H]1C[N@H+](C[C@H](O)COC[C@@H]2CCCO2)C[C@H]1[NH3+] ZINC000923365888 658232866 /nfs/dbraw/zinc/23/28/66/658232866.db2.gz HSWCLYSFUZSWME-MROQNXINSA-N 2 2 258.362 -0.178 20 0 CBADLP C[C@@H]1C[N@@H+](C[C@H](O)COC[C@@H]2CCCO2)C[C@H]1[NH3+] ZINC000923365888 658232883 /nfs/dbraw/zinc/23/28/83/658232883.db2.gz HSWCLYSFUZSWME-MROQNXINSA-N 2 2 258.362 -0.178 20 0 CBADLP CN1CC(=O)N(CC[N@H+](C)C2(C[NH3+])CCC2)C1=O ZINC000923363424 658236562 /nfs/dbraw/zinc/23/65/62/658236562.db2.gz XKXHJNVUCNPUGY-UHFFFAOYSA-N 2 2 254.334 -0.306 20 0 CBADLP CN1CC(=O)N(CC[N@@H+](C)C2(C[NH3+])CCC2)C1=O ZINC000923363424 658236594 /nfs/dbraw/zinc/23/65/94/658236594.db2.gz XKXHJNVUCNPUGY-UHFFFAOYSA-N 2 2 254.334 -0.306 20 0 CBADLP [NH3+]CC[N@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C[C@@H](O)CO ZINC000923386560 658250729 /nfs/dbraw/zinc/25/07/29/658250729.db2.gz HHTHGWNUYZEXNT-WTUNAVPPSA-N 3 2 271.405 -0.479 20 0 CBADLP [NH3+]CC[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C[C@@H](O)CO ZINC000923386560 658250740 /nfs/dbraw/zinc/25/07/40/658250740.db2.gz HHTHGWNUYZEXNT-WTUNAVPPSA-N 3 2 271.405 -0.479 20 0 CBADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1C[C@@H](O)COC[C@@H]1CCCO1 ZINC000923412573 658263505 /nfs/dbraw/zinc/26/35/05/658263505.db2.gz JIARJKBYGMFWIB-XQHKEYJVSA-N 2 2 258.362 -0.036 20 0 CBADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1C[C@@H](O)COC[C@@H]1CCCO1 ZINC000923412573 658263512 /nfs/dbraw/zinc/26/35/12/658263512.db2.gz JIARJKBYGMFWIB-XQHKEYJVSA-N 2 2 258.362 -0.036 20 0 CBADLP CN1CC(=O)N(CC[N@@H+]2CC[NH2+]CCC2(C)C)C1=O ZINC000923414574 658270971 /nfs/dbraw/zinc/27/09/71/658270971.db2.gz MDWKKSCZRGKOCY-UHFFFAOYSA-N 2 2 268.361 -0.046 20 0 CBADLP CN1CC(=O)N(CC[N@H+]2CC[NH2+]CCC2(C)C)C1=O ZINC000923414574 658270984 /nfs/dbraw/zinc/27/09/84/658270984.db2.gz MDWKKSCZRGKOCY-UHFFFAOYSA-N 2 2 268.361 -0.046 20 0 CBADLP C[S@@](=N)(=O)N1CC[NH+](C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923423050 658274104 /nfs/dbraw/zinc/27/41/04/658274104.db2.gz YSIGZMGDWAUDAV-WYRIXSBYSA-N 2 2 288.417 -0.426 20 0 CBADLP [NH3+][C@@]1(CO)CCC[N@H+](C[C@@H](O)Cn2cccn2)C1 ZINC000923474275 658300379 /nfs/dbraw/zinc/30/03/79/658300379.db2.gz ZUGDLCXYSWSSDG-NEPJUHHUSA-N 2 2 254.334 -0.970 20 0 CBADLP [NH3+][C@@]1(CO)CCC[N@@H+](C[C@@H](O)Cn2cccn2)C1 ZINC000923474275 658300390 /nfs/dbraw/zinc/30/03/90/658300390.db2.gz ZUGDLCXYSWSSDG-NEPJUHHUSA-N 2 2 254.334 -0.970 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923491494 658308580 /nfs/dbraw/zinc/30/85/80/658308580.db2.gz IERXAUYEFCFYLF-MJBXVCDLSA-N 3 2 273.421 -0.158 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923491494 658308593 /nfs/dbraw/zinc/30/85/93/658308593.db2.gz IERXAUYEFCFYLF-MJBXVCDLSA-N 3 2 273.421 -0.158 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923491494 658308609 /nfs/dbraw/zinc/30/86/09/658308609.db2.gz IERXAUYEFCFYLF-MJBXVCDLSA-N 3 2 273.421 -0.158 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923491494 658308628 /nfs/dbraw/zinc/30/86/28/658308628.db2.gz IERXAUYEFCFYLF-MJBXVCDLSA-N 3 2 273.421 -0.158 20 0 CBADLP O=C(C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)NC[C@H]1CCCO1 ZINC000923516697 658312635 /nfs/dbraw/zinc/31/26/35/658312635.db2.gz ONVKDXWHTLBORO-YNEHKIRRSA-N 2 2 267.373 -0.177 20 0 CBADLP O=C(C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)NC[C@H]1CCCO1 ZINC000923516697 658312645 /nfs/dbraw/zinc/31/26/45/658312645.db2.gz ONVKDXWHTLBORO-YNEHKIRRSA-N 2 2 267.373 -0.177 20 0 CBADLP NC(=O)NC(=O)CC[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923537843 658317199 /nfs/dbraw/zinc/31/71/99/658317199.db2.gz DJKCUOAXZDDJST-GFCCVEGCSA-N 2 2 254.334 -0.211 20 0 CBADLP NC(=O)NC(=O)CC[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923537843 658317213 /nfs/dbraw/zinc/31/72/13/658317213.db2.gz DJKCUOAXZDDJST-GFCCVEGCSA-N 2 2 254.334 -0.211 20 0 CBADLP COC[C@@H]1CC[C@H]([C@H]2COCC[N@@H+]2CCOCC[NH3+])O1 ZINC000923553857 658320822 /nfs/dbraw/zinc/32/08/22/658320822.db2.gz KMVBOZRRDBWTMR-BFHYXJOUSA-N 2 2 288.388 -0.144 20 0 CBADLP COC[C@@H]1CC[C@H]([C@H]2COCC[N@H+]2CCOCC[NH3+])O1 ZINC000923553857 658320834 /nfs/dbraw/zinc/32/08/34/658320834.db2.gz KMVBOZRRDBWTMR-BFHYXJOUSA-N 2 2 288.388 -0.144 20 0 CBADLP O=S(=O)(NCCc1cn2c([nH+]1)CCCC2)C1C[NH2+]C1 ZINC000923582489 658339213 /nfs/dbraw/zinc/33/92/13/658339213.db2.gz PHTFFEOJIDFDPV-UHFFFAOYSA-N 2 2 284.385 -0.347 20 0 CBADLP O=S(=O)(NC[C@H]1CC[NH2+]CC1(F)F)[C@@H]1CCC[NH2+]C1 ZINC000923645130 658372762 /nfs/dbraw/zinc/37/27/62/658372762.db2.gz KZPPLGASKDJCNG-NXEZZACHSA-N 2 2 297.371 -0.097 20 0 CBADLP O=S(=O)(NC[C@H]1CC[NH2+]CC1(F)F)C1C[NH2+]C1 ZINC000923648265 658374046 /nfs/dbraw/zinc/37/40/46/658374046.db2.gz ZFZNDMXHICHTAO-SSDOTTSWSA-N 2 2 269.317 -0.878 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[NH+](CCCO)CC1 ZINC000957667415 658484348 /nfs/dbraw/zinc/48/43/48/658484348.db2.gz AUAZIXPEMCJVFI-CQSZACIVSA-N 2 2 299.415 -0.519 20 0 CBADLP C[C@H]([C@@H](C)[NH+]1CCOCC1)N1C(=O)N[C@@H](C[NH+](C)C)C1=O ZINC000924596336 658618799 /nfs/dbraw/zinc/61/87/99/658618799.db2.gz YHQNCMYCEOUAIT-UTUOFQBUSA-N 2 2 298.387 -0.422 20 0 CBADLP CC[N@@H+]1CCO[C@@H](CN2C(=O)N[C@@H](C[NH+](C)C)C2=O)C1 ZINC000924606101 658619309 /nfs/dbraw/zinc/61/93/09/658619309.db2.gz AOZHOAZSNJTASD-MNOVXSKESA-N 2 2 284.360 -0.811 20 0 CBADLP CC[N@H+]1CCO[C@@H](CN2C(=O)N[C@@H](C[NH+](C)C)C2=O)C1 ZINC000924606101 658619322 /nfs/dbraw/zinc/61/93/22/658619322.db2.gz AOZHOAZSNJTASD-MNOVXSKESA-N 2 2 284.360 -0.811 20 0 CBADLP C[C@H]([C@H](C)N1C(=O)N[C@@H](C[NH+](C)C)C1=O)[NH+]1CCOCC1 ZINC000924596337 658622201 /nfs/dbraw/zinc/62/22/01/658622201.db2.gz YHQNCMYCEOUAIT-WOPDTQHZSA-N 2 2 298.387 -0.422 20 0 CBADLP COC1(OC)CC[C@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000924838385 658642093 /nfs/dbraw/zinc/64/20/93/658642093.db2.gz DHXQJGFJRZMHRH-LLVKDONJSA-N 2 2 271.361 -0.499 20 0 CBADLP C[N@@H+]1C[C@H](O)C[C@@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000924978628 658682170 /nfs/dbraw/zinc/68/21/70/658682170.db2.gz YKXQFRIOJGCRMT-CHWSQXEVSA-N 2 2 292.383 -0.057 20 0 CBADLP C[N@H+]1C[C@H](O)C[C@@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000924978628 658682193 /nfs/dbraw/zinc/68/21/93/658682193.db2.gz YKXQFRIOJGCRMT-CHWSQXEVSA-N 2 2 292.383 -0.057 20 0 CBADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2[C@H]3C[N@H+](CCO)C[C@H]32)c[nH+]1 ZINC000960521719 658804943 /nfs/dbraw/zinc/80/49/43/658804943.db2.gz SYJPQXHNVAQYJR-ITGUQSILSA-N 2 2 292.383 -0.035 20 0 CBADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2[C@H]3C[N@@H+](CCO)C[C@H]32)c[nH+]1 ZINC000960521719 658804948 /nfs/dbraw/zinc/80/49/48/658804948.db2.gz SYJPQXHNVAQYJR-ITGUQSILSA-N 2 2 292.383 -0.035 20 0 CBADLP O=C(N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21)[C@@H]1CCn2c[nH+]cc2C1 ZINC000960629151 658805554 /nfs/dbraw/zinc/80/55/54/658805554.db2.gz IEZLAEBDLSTNGU-ZZVYKPCYSA-N 2 2 290.367 -0.516 20 0 CBADLP O=C(N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21)[C@@H]1CCn2c[nH+]cc2C1 ZINC000960629151 658805562 /nfs/dbraw/zinc/80/55/62/658805562.db2.gz IEZLAEBDLSTNGU-ZZVYKPCYSA-N 2 2 290.367 -0.516 20 0 CBADLP C[C@@H](CN1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O)[NH+](C)C ZINC000925316746 658823509 /nfs/dbraw/zinc/82/35/09/658823509.db2.gz BPRSHWVTSYZEPU-WPRPVWTQSA-N 2 2 265.317 -0.177 20 0 CBADLP C[C@@H](CN1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O)[NH+](C)C ZINC000925316746 658823513 /nfs/dbraw/zinc/82/35/13/658823513.db2.gz BPRSHWVTSYZEPU-WPRPVWTQSA-N 2 2 265.317 -0.177 20 0 CBADLP O=C(N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000961738019 658832656 /nfs/dbraw/zinc/83/26/56/658832656.db2.gz RXYDABYJEQKLRQ-DCQANWLSSA-N 2 2 290.367 -0.132 20 0 CBADLP O=C(N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000961738019 658832657 /nfs/dbraw/zinc/83/26/57/658832657.db2.gz RXYDABYJEQKLRQ-DCQANWLSSA-N 2 2 290.367 -0.132 20 0 CBADLP C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@@H]2CC[NH+]2C)C[C@H]1C ZINC000925415966 658842236 /nfs/dbraw/zinc/84/22/36/658842236.db2.gz BGHOZBXTRLULRW-AGIUHOORSA-N 2 2 284.404 -0.213 20 0 CBADLP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@@H]2CC[NH+]2C)C[C@H]1C ZINC000925415966 658842241 /nfs/dbraw/zinc/84/22/41/658842241.db2.gz BGHOZBXTRLULRW-AGIUHOORSA-N 2 2 284.404 -0.213 20 0 CBADLP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2CC[N@@H+]2C)C[C@H]1C ZINC000925415966 658842243 /nfs/dbraw/zinc/84/22/43/658842243.db2.gz BGHOZBXTRLULRW-AGIUHOORSA-N 2 2 284.404 -0.213 20 0 CBADLP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2CC[N@H+]2C)C[C@H]1C ZINC000925415966 658842245 /nfs/dbraw/zinc/84/22/45/658842245.db2.gz BGHOZBXTRLULRW-AGIUHOORSA-N 2 2 284.404 -0.213 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC000962140697 658844742 /nfs/dbraw/zinc/84/47/42/658844742.db2.gz LDKVQNPUJCJXDY-IWIIMEHWSA-N 2 2 264.329 -0.619 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC000962140697 658844747 /nfs/dbraw/zinc/84/47/47/658844747.db2.gz LDKVQNPUJCJXDY-IWIIMEHWSA-N 2 2 264.329 -0.619 20 0 CBADLP C[C@@H]1CN(C(=O)NC[C@H]2CC[N@H+]2C)[C@@H](C)C[NH+]1CCO ZINC000925426267 658846772 /nfs/dbraw/zinc/84/67/72/658846772.db2.gz MHRRLFPNEGYCNQ-FRRDWIJNSA-N 2 2 284.404 -0.213 20 0 CBADLP CC1(C)COCC[N@@H+]1CCN[C@@H]1C[NH2+]CCOC1 ZINC000925479606 658857126 /nfs/dbraw/zinc/85/71/26/658857126.db2.gz SNKWAIZRTMPPKI-GFCCVEGCSA-N 2 2 257.378 -0.325 20 0 CBADLP CC1(C)COCC[N@H+]1CCN[C@@H]1C[NH2+]CCOC1 ZINC000925479606 658857130 /nfs/dbraw/zinc/85/71/30/658857130.db2.gz SNKWAIZRTMPPKI-GFCCVEGCSA-N 2 2 257.378 -0.325 20 0 CBADLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCOCCS(C)(=O)=O ZINC000925572294 658859207 /nfs/dbraw/zinc/85/92/07/658859207.db2.gz LSJCQPAFIWEZAY-MNOVXSKESA-N 2 2 264.391 -0.222 20 0 CBADLP CC(=O)N1CCN(CC[NH2+][C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000925549665 658859612 /nfs/dbraw/zinc/85/96/12/658859612.db2.gz ZCVZXIGTGWDESY-OCCSQVGLSA-N 2 2 268.405 -0.119 20 0 CBADLP CC(=O)N1CCN(CC[NH2+][C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000925549663 658860011 /nfs/dbraw/zinc/86/00/11/658860011.db2.gz ZCVZXIGTGWDESY-JSGCOSHPSA-N 2 2 268.405 -0.119 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC1CC(C[NH2+][C@@H]2CCNC2=O)C1 ZINC000962887831 658861136 /nfs/dbraw/zinc/86/11/36/658861136.db2.gz MGEPDLXGLPDQIW-HTAVTVPLSA-N 2 2 291.355 -0.744 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@@H]1[C@H]2C[N@H+](C[C@@H]3CCOC3)C[C@H]21 ZINC000963016615 658862046 /nfs/dbraw/zinc/86/20/46/658862046.db2.gz JADKQZPFGFNHSR-RMRHIDDWSA-N 2 2 290.367 -0.034 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@@H]1[C@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@H]21 ZINC000963016615 658862048 /nfs/dbraw/zinc/86/20/48/658862048.db2.gz JADKQZPFGFNHSR-RMRHIDDWSA-N 2 2 290.367 -0.034 20 0 CBADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@]12COCCN1C(=O)COC2 ZINC000925728887 658868806 /nfs/dbraw/zinc/86/88/06/658868806.db2.gz XRYKEYSOSUALHY-OUCADQQQSA-N 2 2 283.372 -0.656 20 0 CBADLP O=C1NCCN1CC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000925777674 658871201 /nfs/dbraw/zinc/87/12/01/658871201.db2.gz QDJNYVPQWHQNRP-VXGBXAGGSA-N 2 2 268.361 -0.632 20 0 CBADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925816763 658873337 /nfs/dbraw/zinc/87/33/37/658873337.db2.gz IJOKRWOCBPRWBN-OCCSQVGLSA-N 3 2 270.421 -0.234 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC1CC2(C1)CC([NH2+]CCO)C2 ZINC000965280568 658880952 /nfs/dbraw/zinc/88/09/52/658880952.db2.gz KZKMSFUQFXVWMM-UHFFFAOYSA-N 2 2 278.356 -0.039 20 0 CBADLP [NH3+]CC[C@H]1CCN(C(=O)C(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC000926295683 658891324 /nfs/dbraw/zinc/89/13/24/658891324.db2.gz QAHZBOPSXJXLSU-LBPRGKRZSA-N 2 2 294.399 -0.510 20 0 CBADLP C[C@@H](C[C@H]1CCC(=O)N1)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000926748054 658912947 /nfs/dbraw/zinc/91/29/47/658912947.db2.gz DWSDYBJBNZIXEA-XQQFMLRXSA-N 2 2 296.415 -0.027 20 0 CBADLP C[C@@H](C[C@H]1CCC(=O)N1)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000926748054 658912950 /nfs/dbraw/zinc/91/29/50/658912950.db2.gz DWSDYBJBNZIXEA-XQQFMLRXSA-N 2 2 296.415 -0.027 20 0 CBADLP C[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000968189843 658922046 /nfs/dbraw/zinc/92/20/46/658922046.db2.gz IRMHNPVBEUWYRK-DGCLKSJQSA-N 2 2 296.415 -0.360 20 0 CBADLP C[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000968189843 658922054 /nfs/dbraw/zinc/92/20/54/658922054.db2.gz IRMHNPVBEUWYRK-DGCLKSJQSA-N 2 2 296.415 -0.360 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)N1CC[C@@H]([NH2+]CCO)C1 ZINC000968872021 658943369 /nfs/dbraw/zinc/94/33/69/658943369.db2.gz KZWRXDFKZDSZDR-LLVKDONJSA-N 2 2 252.318 -0.475 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)N1CC[C@@H]([NH2+]CCO)C1 ZINC000968872021 658943378 /nfs/dbraw/zinc/94/33/78/658943378.db2.gz KZWRXDFKZDSZDR-LLVKDONJSA-N 2 2 252.318 -0.475 20 0 CBADLP C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1C[NH+](CC(N)=O)C1 ZINC000969409770 658986472 /nfs/dbraw/zinc/98/64/72/658986472.db2.gz GMTZESACJSJVIX-KOLCDFICSA-N 2 2 268.361 -0.998 20 0 CBADLP C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1C[NH+](CC(N)=O)C1 ZINC000969409770 658986480 /nfs/dbraw/zinc/98/64/80/658986480.db2.gz GMTZESACJSJVIX-KOLCDFICSA-N 2 2 268.361 -0.998 20 0 CBADLP C[C@@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C1C[NH+](CCCO)C1 ZINC000969443110 658992708 /nfs/dbraw/zinc/99/27/08/658992708.db2.gz XPBZFBOPUSVFCX-DGCLKSJQSA-N 2 2 285.388 -0.864 20 0 CBADLP C[C@@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C1C[NH+](CCCO)C1 ZINC000969443110 658992714 /nfs/dbraw/zinc/99/27/14/658992714.db2.gz XPBZFBOPUSVFCX-DGCLKSJQSA-N 2 2 285.388 -0.864 20 0 CBADLP C[C@H](NC(=O)c1cc(C[NH+](C)C)on1)C1C[NH+](CCO)C1 ZINC000970013689 659028628 /nfs/dbraw/zinc/02/86/28/659028628.db2.gz VQZDJLIWTQQRGT-JTQLQIEISA-N 2 2 296.371 -0.221 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H]([NH2+]CCn2cncn2)C1 ZINC000970105827 659034767 /nfs/dbraw/zinc/03/47/67/659034767.db2.gz UJFMOCNUYQMVFT-LLVKDONJSA-N 2 2 289.343 -0.566 20 0 CBADLP C[C@@H](C(N)=O)[N@H+](C)[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000972039557 659103456 /nfs/dbraw/zinc/10/34/56/659103456.db2.gz IYOOVHYXUANFGW-NWDGAFQWSA-N 2 2 293.371 -0.320 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000972039557 659103472 /nfs/dbraw/zinc/10/34/72/659103472.db2.gz IYOOVHYXUANFGW-NWDGAFQWSA-N 2 2 293.371 -0.320 20 0 CBADLP Cn1cc(C2=NC[C@H](C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)O2)cn1 ZINC000929313042 659116243 /nfs/dbraw/zinc/11/62/43/659116243.db2.gz PGRJSRKICKKFOS-NTZNESFSSA-N 2 2 275.356 -0.283 20 0 CBADLP Cn1cc(C2=NC[C@H](C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)O2)cn1 ZINC000929313042 659116246 /nfs/dbraw/zinc/11/62/46/659116246.db2.gz PGRJSRKICKKFOS-NTZNESFSSA-N 2 2 275.356 -0.283 20 0 CBADLP C[C@H](O)[C@@H](O)C[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000929657432 659156698 /nfs/dbraw/zinc/15/66/98/659156698.db2.gz MKMDKAFKGHBMOJ-AAEUAGOBSA-N 2 2 260.378 -0.493 20 0 CBADLP C[C@H](O)[C@@H](O)C[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000929657432 659156701 /nfs/dbraw/zinc/15/67/01/659156701.db2.gz MKMDKAFKGHBMOJ-AAEUAGOBSA-N 2 2 260.378 -0.493 20 0 CBADLP C[N@@H+]1CC[C@H]1CNC(=O)C(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000929744302 659166054 /nfs/dbraw/zinc/16/60/54/659166054.db2.gz CNEUDCLGVYWKKS-JQWIXIFHSA-N 2 2 280.372 -0.840 20 0 CBADLP C[N@H+]1CC[C@H]1CNC(=O)C(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000929744302 659166083 /nfs/dbraw/zinc/16/60/83/659166083.db2.gz CNEUDCLGVYWKKS-JQWIXIFHSA-N 2 2 280.372 -0.840 20 0 CBADLP C[NH+]1CC[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000929744302 659166089 /nfs/dbraw/zinc/16/60/89/659166089.db2.gz CNEUDCLGVYWKKS-JQWIXIFHSA-N 2 2 280.372 -0.840 20 0 CBADLP C[NH+]1CC[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000929744302 659166094 /nfs/dbraw/zinc/16/60/94/659166094.db2.gz CNEUDCLGVYWKKS-JQWIXIFHSA-N 2 2 280.372 -0.840 20 0 CBADLP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](CC(N)=O)CC2(C)C)C1 ZINC000975060994 659177197 /nfs/dbraw/zinc/17/71/97/659177197.db2.gz KAFOVCVQFUNWSA-NWDGAFQWSA-N 2 2 296.415 -0.360 20 0 CBADLP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CC(N)=O)CC2(C)C)C1 ZINC000975060994 659177199 /nfs/dbraw/zinc/17/71/99/659177199.db2.gz KAFOVCVQFUNWSA-NWDGAFQWSA-N 2 2 296.415 -0.360 20 0 CBADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CC(N)=O)CC2(C)C)C1 ZINC000975060994 659177205 /nfs/dbraw/zinc/17/72/05/659177205.db2.gz KAFOVCVQFUNWSA-NWDGAFQWSA-N 2 2 296.415 -0.360 20 0 CBADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CC(N)=O)CC2(C)C)C1 ZINC000975060994 659177208 /nfs/dbraw/zinc/17/72/08/659177208.db2.gz KAFOVCVQFUNWSA-NWDGAFQWSA-N 2 2 296.415 -0.360 20 0 CBADLP C[NH+]1CCC(OCC(=O)N2CC[NH+](CCO)CC2)CC1 ZINC000930040465 659199059 /nfs/dbraw/zinc/19/90/59/659199059.db2.gz GKKWIGRLHKBYHV-UHFFFAOYSA-N 2 2 285.388 -0.766 20 0 CBADLP C[C@@H](O)[C@@H](O)C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000930062544 659201393 /nfs/dbraw/zinc/20/13/93/659201393.db2.gz VKSLOOHIJWSCIE-MNOVXSKESA-N 2 2 254.334 -0.716 20 0 CBADLP C[C@H](O)[C@@H](O)C[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000930073340 659203006 /nfs/dbraw/zinc/20/30/06/659203006.db2.gz ZGHFYDFVQXRXFG-DRZSPHRISA-N 2 2 285.388 -0.858 20 0 CBADLP C[C@H](O)[C@@H](O)C[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000930073340 659203009 /nfs/dbraw/zinc/20/30/09/659203009.db2.gz ZGHFYDFVQXRXFG-DRZSPHRISA-N 2 2 285.388 -0.858 20 0 CBADLP CC(C)C[NH2+]C1(CO)CC[NH+](C[C@H](O)[C@H](C)O)CC1 ZINC000930625717 659312391 /nfs/dbraw/zinc/31/23/91/659312391.db2.gz IGTVOJIZRGBXTJ-STQMWFEESA-N 2 2 274.405 -0.199 20 0 CBADLP NC(=O)C[NH2+][C@H]1CCC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000981353135 659315685 /nfs/dbraw/zinc/31/56/85/659315685.db2.gz HALNNPNUHFYOBZ-VHSXEESVSA-N 2 2 279.344 -0.546 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CCC[C@@H]([NH2+]CCO)C1 ZINC000981357586 659315732 /nfs/dbraw/zinc/31/57/32/659315732.db2.gz YVPDNISPVLGPBG-GHMZBOCLSA-N 2 2 266.345 -0.039 20 0 CBADLP NC(=O)C[NH2+][C@H]1CCC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000981353134 659316351 /nfs/dbraw/zinc/31/63/51/659316351.db2.gz HALNNPNUHFYOBZ-UWVGGRQHSA-N 2 2 279.344 -0.546 20 0 CBADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1CCC[N@@H+](CCO)CC1 ZINC000981477047 659318319 /nfs/dbraw/zinc/31/83/19/659318319.db2.gz OUNHAPUKRZGSNC-ZDUSSCGKSA-N 2 2 292.383 -0.028 20 0 CBADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1CCC[N@H+](CCO)CC1 ZINC000981477047 659318326 /nfs/dbraw/zinc/31/83/26/659318326.db2.gz OUNHAPUKRZGSNC-ZDUSSCGKSA-N 2 2 292.383 -0.028 20 0 CBADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CCC[N@@H+](CCO)CC1 ZINC000981484728 659319082 /nfs/dbraw/zinc/31/90/82/659319082.db2.gz ZZBGLKJGJOAYDJ-CYBMUJFWSA-N 2 2 292.383 -0.028 20 0 CBADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CCC[N@H+](CCO)CC1 ZINC000981484728 659319088 /nfs/dbraw/zinc/31/90/88/659319088.db2.gz ZZBGLKJGJOAYDJ-CYBMUJFWSA-N 2 2 292.383 -0.028 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CCC[C@@H]([NH2+]CC(N)=O)C1 ZINC000981458501 659319259 /nfs/dbraw/zinc/31/92/59/659319259.db2.gz ZAZUKSIHFYAFEP-MNOVXSKESA-N 2 2 293.371 -0.535 20 0 CBADLP OC[C@H](O)C[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000930676419 659320324 /nfs/dbraw/zinc/32/03/24/659320324.db2.gz XAIXMGKPTSSRHU-GFCCVEGCSA-N 2 2 258.362 -0.834 20 0 CBADLP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC[NH+](CC(N)=O)CC1 ZINC000981959970 659337074 /nfs/dbraw/zinc/33/70/74/659337074.db2.gz QYRSWHDVGBIMQN-RYUDHWBXSA-N 2 2 282.388 -0.796 20 0 CBADLP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC[NH+](CC(N)=O)CC1 ZINC000981959970 659337077 /nfs/dbraw/zinc/33/70/77/659337077.db2.gz QYRSWHDVGBIMQN-RYUDHWBXSA-N 2 2 282.388 -0.796 20 0 CBADLP C[C@H]1C[NH+](C)C[C@@H]1C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000981959970 659337082 /nfs/dbraw/zinc/33/70/82/659337082.db2.gz QYRSWHDVGBIMQN-RYUDHWBXSA-N 2 2 282.388 -0.796 20 0 CBADLP C[C@H]1C[NH+](C)C[C@@H]1C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000981959970 659337086 /nfs/dbraw/zinc/33/70/86/659337086.db2.gz QYRSWHDVGBIMQN-RYUDHWBXSA-N 2 2 282.388 -0.796 20 0 CBADLP OC[C@@H](O)C[NH+]1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931285404 659426865 /nfs/dbraw/zinc/42/68/65/659426865.db2.gz MBQUIULDMMXNQP-ZDUSSCGKSA-N 2 2 258.362 -0.474 20 0 CBADLP OC[C@@H](O)C[NH+]1CCC([N@H+]2CCCOCC2)CC1 ZINC000931285404 659426873 /nfs/dbraw/zinc/42/68/73/659426873.db2.gz MBQUIULDMMXNQP-ZDUSSCGKSA-N 2 2 258.362 -0.474 20 0 CBADLP C[C@@H](O)[C@@H](O)C[NH+]1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931286603 659427716 /nfs/dbraw/zinc/42/77/16/659427716.db2.gz VENNWTDNHWMKCJ-OCCSQVGLSA-N 2 2 272.389 -0.085 20 0 CBADLP C[C@@H](O)[C@@H](O)C[NH+]1CCC([N@H+]2CCCOCC2)CC1 ZINC000931286603 659427725 /nfs/dbraw/zinc/42/77/25/659427725.db2.gz VENNWTDNHWMKCJ-OCCSQVGLSA-N 2 2 272.389 -0.085 20 0 CBADLP C[NH+]1C[C@]2(C)C[NH+](CCC(=O)NC(N)=O)C[C@@]2(C)C1 ZINC000931308848 659431943 /nfs/dbraw/zinc/43/19/43/659431943.db2.gz PBORPRJHVJSYME-CHWSQXEVSA-N 2 2 268.361 -0.155 20 0 CBADLP C[C@@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000986355862 659446672 /nfs/dbraw/zinc/44/66/72/659446672.db2.gz QPZMSEPMQOQOKP-KOLCDFICSA-N 2 2 279.344 -0.593 20 0 CBADLP C[C@@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000986355862 659446678 /nfs/dbraw/zinc/44/66/78/659446678.db2.gz QPZMSEPMQOQOKP-KOLCDFICSA-N 2 2 279.344 -0.593 20 0 CBADLP C[C@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)CCn1cc[nH+]c1 ZINC000986629708 659463407 /nfs/dbraw/zinc/46/34/07/659463407.db2.gz SQKBDDRMECGXGV-QWRGUYRKSA-N 2 2 279.344 -0.663 20 0 CBADLP C[C@@H]1[C@H]([NH2+]CC(N)=O)CCN1C(=O)CCn1cc[nH+]c1 ZINC000986629705 659464008 /nfs/dbraw/zinc/46/40/08/659464008.db2.gz SQKBDDRMECGXGV-GHMZBOCLSA-N 2 2 279.344 -0.663 20 0 CBADLP C[C@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)CCc1[nH+]ccn1C ZINC000986604936 659464576 /nfs/dbraw/zinc/46/45/76/659464576.db2.gz VCVLMYRULGQDSN-QWRGUYRKSA-N 2 2 293.371 -0.583 20 0 CBADLP C[C@H]1[C@H]([NH2+]CCO)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000987056591 659487714 /nfs/dbraw/zinc/48/77/14/659487714.db2.gz GJEQGSADHXGOEH-GXSJLCMTSA-N 2 2 252.318 -0.477 20 0 CBADLP C[C@H]1[C@@H]([NH2+]CCO)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000987056594 659488637 /nfs/dbraw/zinc/48/86/37/659488637.db2.gz GJEQGSADHXGOEH-ONGXEEELSA-N 2 2 252.318 -0.477 20 0 CBADLP COC1(OC)CC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C[C@@H]1O ZINC000931633014 659497695 /nfs/dbraw/zinc/49/76/95/659497695.db2.gz FMCHIGDDLURRAQ-STQMWFEESA-N 2 2 288.388 -0.503 20 0 CBADLP COC1(OC)CC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C[C@@H]1O ZINC000931633014 659497701 /nfs/dbraw/zinc/49/77/01/659497701.db2.gz FMCHIGDDLURRAQ-STQMWFEESA-N 2 2 288.388 -0.503 20 0 CBADLP COC1(OC)CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C[C@@H]1O ZINC000931633014 659497704 /nfs/dbraw/zinc/49/77/04/659497704.db2.gz FMCHIGDDLURRAQ-STQMWFEESA-N 2 2 288.388 -0.503 20 0 CBADLP COC1(OC)CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C[C@@H]1O ZINC000931633014 659497707 /nfs/dbraw/zinc/49/77/07/659497707.db2.gz FMCHIGDDLURRAQ-STQMWFEESA-N 2 2 288.388 -0.503 20 0 CBADLP C[C@H]1[C@H]([NH2+]CCO)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000987265497 659499567 /nfs/dbraw/zinc/49/95/67/659499567.db2.gz HUTGJVXIACNJJF-VHSXEESVSA-N 2 2 252.318 -0.477 20 0 CBADLP C[C@H]1[C@@H]([NH2+]CCO)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000987265495 659499863 /nfs/dbraw/zinc/49/98/63/659499863.db2.gz HUTGJVXIACNJJF-UWVGGRQHSA-N 2 2 252.318 -0.477 20 0 CBADLP C[C@H]1[C@@H]([NH2+]CCO)CCN1C(=O)Cc1c[nH+]cn1C ZINC000987348255 659503300 /nfs/dbraw/zinc/50/33/00/659503300.db2.gz LOPMNNLHZLZNOR-JQWIXIFHSA-N 2 2 266.345 -0.466 20 0 CBADLP C[C@H]1[C@H]([NH2+]CC(N)=O)CCN1C(=O)CCc1c[nH+]cn1C ZINC000987433918 659505556 /nfs/dbraw/zinc/50/55/56/659505556.db2.gz PBCMCOBQHKODFF-CMPLNLGQSA-N 2 2 293.371 -0.583 20 0 CBADLP C[C@H]1[C@@H]([NH2+]CCO)CCN1C(=O)CCc1c[nH+]cn1C ZINC000987431595 659506120 /nfs/dbraw/zinc/50/61/20/659506120.db2.gz CDSCKEXMTWWENT-AAEUAGOBSA-N 2 2 280.372 -0.076 20 0 CBADLP C[C@@H]1[C@H]([NH2+]CC(N)=O)CCN1C(=O)CCc1c[nH+]cn1C ZINC000987433921 659506205 /nfs/dbraw/zinc/50/62/05/659506205.db2.gz PBCMCOBQHKODFF-ZYHUDNBSSA-N 2 2 293.371 -0.583 20 0 CBADLP C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CC[NH+](C)C(C)(C)C1 ZINC000931888783 659556025 /nfs/dbraw/zinc/55/60/25/659556025.db2.gz RWVVJRRQOHTYIM-LLVKDONJSA-N 2 2 282.388 -0.641 20 0 CBADLP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CC[NH+](C)C(C)(C)C1 ZINC000931888783 659556031 /nfs/dbraw/zinc/55/60/31/659556031.db2.gz RWVVJRRQOHTYIM-LLVKDONJSA-N 2 2 282.388 -0.641 20 0 CBADLP C[NH+]1CC[C@@H]1CNC(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000931888783 659556039 /nfs/dbraw/zinc/55/60/39/659556039.db2.gz RWVVJRRQOHTYIM-LLVKDONJSA-N 2 2 282.388 -0.641 20 0 CBADLP C[NH+]1CC[C@@H]1CNC(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000931888783 659556044 /nfs/dbraw/zinc/55/60/44/659556044.db2.gz RWVVJRRQOHTYIM-LLVKDONJSA-N 2 2 282.388 -0.641 20 0 CBADLP C[C@@H]1C[C@@H]([NH2+]CC(N)=O)CN1C(=O)CCc1c[nH]c[nH+]1 ZINC000988934079 659563198 /nfs/dbraw/zinc/56/31/98/659563198.db2.gz PZLKJODJBFJPNO-MWLCHTKSSA-N 2 2 279.344 -0.593 20 0 CBADLP C[C@@H]1C[C@@H]([NH2+]CCO)CN1C(=O)CCc1[nH+]ccn1C ZINC000989228739 659576165 /nfs/dbraw/zinc/57/61/65/659576165.db2.gz IFQURXSXQOWKKZ-VXGBXAGGSA-N 2 2 280.372 -0.076 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CCC[N@H+](CCCO)CC1 ZINC000989486991 659590235 /nfs/dbraw/zinc/59/02/35/659590235.db2.gz WZSVUUORLFPUFD-UHFFFAOYSA-N 2 2 280.372 -0.121 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CCC[N@@H+](CCCO)CC1 ZINC000989486991 659590241 /nfs/dbraw/zinc/59/02/41/659590241.db2.gz WZSVUUORLFPUFD-UHFFFAOYSA-N 2 2 280.372 -0.121 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N1CCC[N@@H+]([C@H](C)C(N)=O)CC1 ZINC000989673605 659606494 /nfs/dbraw/zinc/60/64/94/659606494.db2.gz UCIBXZLFTARGRS-LLVKDONJSA-N 2 2 293.371 -0.400 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N1CCC[N@H+]([C@H](C)C(N)=O)CC1 ZINC000989673605 659606499 /nfs/dbraw/zinc/60/64/99/659606499.db2.gz UCIBXZLFTARGRS-LLVKDONJSA-N 2 2 293.371 -0.400 20 0 CBADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@@H](CS(N)(=O)=O)C1 ZINC000932947541 659643703 /nfs/dbraw/zinc/64/37/03/659643703.db2.gz NPHTUWXNHCKAGM-SNVBAGLBSA-N 2 2 272.374 -0.427 20 0 CBADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@@H](CS(N)(=O)=O)C1 ZINC000932947541 659643707 /nfs/dbraw/zinc/64/37/07/659643707.db2.gz NPHTUWXNHCKAGM-SNVBAGLBSA-N 2 2 272.374 -0.427 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@]12CCC[C@@H]1[NH+](CC(N)=O)CC2 ZINC000990025275 659646214 /nfs/dbraw/zinc/64/62/14/659646214.db2.gz IFFLUSMQYFPZOF-TYNCELHUSA-N 2 2 294.399 -0.321 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@]12CCC[C@@H]1[NH+](CC(N)=O)CC2 ZINC000990025275 659646222 /nfs/dbraw/zinc/64/62/22/659646222.db2.gz IFFLUSMQYFPZOF-TYNCELHUSA-N 2 2 294.399 -0.321 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@]12CCC[C@@H]1[N@H+](CC(N)=O)CC2 ZINC000990025275 659646230 /nfs/dbraw/zinc/64/62/30/659646230.db2.gz IFFLUSMQYFPZOF-TYNCELHUSA-N 2 2 294.399 -0.321 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@]12CCC[C@@H]1[N@@H+](CC(N)=O)CC2 ZINC000990025275 659646241 /nfs/dbraw/zinc/64/62/41/659646241.db2.gz IFFLUSMQYFPZOF-TYNCELHUSA-N 2 2 294.399 -0.321 20 0 CBADLP C[C@H]1NC(=O)N(CC[N@@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)C1=O ZINC000933734645 659735391 /nfs/dbraw/zinc/73/53/91/659735391.db2.gz VARHUJWJFLCLSQ-UHIISALHSA-N 2 2 280.372 -0.190 20 0 CBADLP C[C@H]1NC(=O)N(CC[N@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)C1=O ZINC000933734645 659735394 /nfs/dbraw/zinc/73/53/94/659735394.db2.gz VARHUJWJFLCLSQ-UHIISALHSA-N 2 2 280.372 -0.190 20 0 CBADLP C[C@H]1NC(=O)N(CC[NH+]2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)C1=O ZINC000933734645 659735396 /nfs/dbraw/zinc/73/53/96/659735396.db2.gz VARHUJWJFLCLSQ-UHIISALHSA-N 2 2 280.372 -0.190 20 0 CBADLP C[C@H]1NC(=O)N(CC[NH+]2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)C1=O ZINC000933734645 659735400 /nfs/dbraw/zinc/73/54/00/659735400.db2.gz VARHUJWJFLCLSQ-UHIISALHSA-N 2 2 280.372 -0.190 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@@H]2COCC[C@H]2OC)CC1 ZINC000934044882 659766291 /nfs/dbraw/zinc/76/62/91/659766291.db2.gz YYCUVTWAIXQOPA-BFHYXJOUSA-N 2 2 299.415 -0.068 20 0 CBADLP C[C@H]([NH2+]C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1)C(N)=O ZINC000991902207 659848124 /nfs/dbraw/zinc/84/81/24/659848124.db2.gz SIEPSBSNSDDPOX-JTQLQIEISA-N 2 2 293.371 -0.203 20 0 CBADLP O=C(CCc1[nH]cc[nH+]1)N1CCC([NH2+]CCO)CC1 ZINC000991900432 659848319 /nfs/dbraw/zinc/84/83/19/659848319.db2.gz ITMGVUWBMCPSAO-UHFFFAOYSA-N 2 2 266.345 -0.085 20 0 CBADLP NC(=O)C[N@@H+]1CC[C@]2(NC(=O)Cn3cc[nH+]c3)CCC[C@@H]12 ZINC000992536087 659858163 /nfs/dbraw/zinc/85/81/63/659858163.db2.gz QWOIMKDWAUWBCN-BXUZGUMPSA-N 2 2 291.355 -0.518 20 0 CBADLP NC(=O)C[N@H+]1CC[C@]2(NC(=O)Cn3cc[nH+]c3)CCC[C@@H]12 ZINC000992536087 659858166 /nfs/dbraw/zinc/85/81/66/659858166.db2.gz QWOIMKDWAUWBCN-BXUZGUMPSA-N 2 2 291.355 -0.518 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@@]12CCC[C@H]1[N@H+](CCO)CC2 ZINC000992528686 659858280 /nfs/dbraw/zinc/85/82/80/659858280.db2.gz HJJKXDMQHMEZNO-TZMCWYRMSA-N 2 2 278.356 -0.011 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@@]12CCC[C@H]1[N@@H+](CCO)CC2 ZINC000992528686 659858281 /nfs/dbraw/zinc/85/82/81/659858281.db2.gz HJJKXDMQHMEZNO-TZMCWYRMSA-N 2 2 278.356 -0.011 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CCC[N@@H+]1CCO ZINC000994226850 659879969 /nfs/dbraw/zinc/87/99/69/659879969.db2.gz GSNNBDCNUIGSIZ-YPMHNXCESA-N 2 2 280.372 -0.076 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CCC[N@H+]1CCO ZINC000994226850 659879971 /nfs/dbraw/zinc/87/99/71/659879971.db2.gz GSNNBDCNUIGSIZ-YPMHNXCESA-N 2 2 280.372 -0.076 20 0 CBADLP C[N@@H+]1CC[C@H](C(=O)N2CC(NC(=O)Cn3cc[nH+]c3)C2)C1 ZINC000994922535 659888254 /nfs/dbraw/zinc/88/82/54/659888254.db2.gz HPBFBDYUDZVFPT-NSHDSACASA-N 2 2 291.355 -0.838 20 0 CBADLP C[N@H+]1CC[C@H](C(=O)N2CC(NC(=O)Cn3cc[nH+]c3)C2)C1 ZINC000994922535 659888255 /nfs/dbraw/zinc/88/82/55/659888255.db2.gz HPBFBDYUDZVFPT-NSHDSACASA-N 2 2 291.355 -0.838 20 0 CBADLP CC1(C)C[N@H+](CC(N)=O)CC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000941220801 659907998 /nfs/dbraw/zinc/90/79/98/659907998.db2.gz HVLOFCMUXLPPAF-LBPRGKRZSA-N 2 2 296.415 -0.216 20 0 CBADLP CC1(C)C[N@@H+](CC(N)=O)CC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000941220801 659908004 /nfs/dbraw/zinc/90/80/04/659908004.db2.gz HVLOFCMUXLPPAF-LBPRGKRZSA-N 2 2 296.415 -0.216 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@H]1C ZINC000942518322 659923744 /nfs/dbraw/zinc/92/37/44/659923744.db2.gz PXUOQZIOFBLZSJ-PWSUYJOCSA-N 2 2 293.371 -0.497 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@H]1C ZINC000942518322 659923746 /nfs/dbraw/zinc/92/37/46/659923746.db2.gz PXUOQZIOFBLZSJ-PWSUYJOCSA-N 2 2 293.371 -0.497 20 0 CBADLP C[C@@H]1C[N@H+](CCO)CC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000943175175 659928393 /nfs/dbraw/zinc/92/83/93/659928393.db2.gz GUEOYFVSMVIPNR-ZYHUDNBSSA-N 2 2 266.345 -0.229 20 0 CBADLP C[C@@H]1C[N@@H+](CCO)CC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000943175175 659928400 /nfs/dbraw/zinc/92/84/00/659928400.db2.gz GUEOYFVSMVIPNR-ZYHUDNBSSA-N 2 2 266.345 -0.229 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1C ZINC000944965400 659938842 /nfs/dbraw/zinc/93/88/42/659938842.db2.gz SHIRNJLHNVBSEE-CMPLNLGQSA-N 2 2 293.371 -0.497 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1C ZINC000944965400 659938849 /nfs/dbraw/zinc/93/88/49/659938849.db2.gz SHIRNJLHNVBSEE-CMPLNLGQSA-N 2 2 293.371 -0.497 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1C ZINC000944965403 659938998 /nfs/dbraw/zinc/93/89/98/659938998.db2.gz SHIRNJLHNVBSEE-ZYHUDNBSSA-N 2 2 293.371 -0.497 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1C ZINC000944965403 659938999 /nfs/dbraw/zinc/93/89/99/659938999.db2.gz SHIRNJLHNVBSEE-ZYHUDNBSSA-N 2 2 293.371 -0.497 20 0 CBADLP C[C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CC[N@@H+]1CCO ZINC000947761589 659961179 /nfs/dbraw/zinc/96/11/79/659961179.db2.gz NBAIGAFPROLCPB-QWRGUYRKSA-N 2 2 266.345 -0.086 20 0 CBADLP C[C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CC[N@H+]1CCO ZINC000947761589 659961181 /nfs/dbraw/zinc/96/11/81/659961181.db2.gz NBAIGAFPROLCPB-QWRGUYRKSA-N 2 2 266.345 -0.086 20 0 CBADLP C[C@@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CC[N@@H+]1CCO ZINC000947861481 659962120 /nfs/dbraw/zinc/96/21/20/659962120.db2.gz NBMSYBANUNBAGC-MNOVXSKESA-N 2 2 266.345 -0.086 20 0 CBADLP C[C@@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CC[N@H+]1CCO ZINC000947861481 659962122 /nfs/dbraw/zinc/96/21/22/659962122.db2.gz NBMSYBANUNBAGC-MNOVXSKESA-N 2 2 266.345 -0.086 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](CC(N)=O)[C@@H](C)C1 ZINC000948052196 659963829 /nfs/dbraw/zinc/96/38/29/659963829.db2.gz BWXRTARCFUSZTO-CMPLNLGQSA-N 2 2 293.371 -0.354 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)[C@@H](C)C1 ZINC000948052196 659963831 /nfs/dbraw/zinc/96/38/31/659963831.db2.gz BWXRTARCFUSZTO-CMPLNLGQSA-N 2 2 293.371 -0.354 20 0 CBADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC000948759473 659970053 /nfs/dbraw/zinc/97/00/53/659970053.db2.gz ARIZFZJTUQPSKS-AAEUAGOBSA-N 2 2 269.389 -0.148 20 0 CBADLP C[C@@H](O)C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC000950490835 659992861 /nfs/dbraw/zinc/99/28/61/659992861.db2.gz DXYABNOISXZOAM-QWHCGFSZSA-N 2 2 269.389 -0.004 20 0 CBADLP C[C@@H](O)C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC000950490835 659992864 /nfs/dbraw/zinc/99/28/64/659992864.db2.gz DXYABNOISXZOAM-QWHCGFSZSA-N 2 2 269.389 -0.004 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCCF)C[C@H]1O ZINC001076812330 805628505 /nfs/dbraw/zinc/62/85/05/805628505.db2.gz DEJBSBIDXMKMGH-IJLUTSLNSA-N 2 2 273.352 -0.399 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCF)C[C@H]1O ZINC001076812330 805628486 /nfs/dbraw/zinc/62/84/86/805628486.db2.gz DEJBSBIDXMKMGH-IJLUTSLNSA-N 2 2 273.352 -0.399 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCF)C[C@H]1O ZINC001076812330 805628493 /nfs/dbraw/zinc/62/84/93/805628493.db2.gz DEJBSBIDXMKMGH-IJLUTSLNSA-N 2 2 273.352 -0.399 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCCF)C[C@H]1O ZINC001076812330 805628502 /nfs/dbraw/zinc/62/85/02/805628502.db2.gz DEJBSBIDXMKMGH-IJLUTSLNSA-N 2 2 273.352 -0.399 20 0 CBADLP C[NH+]1CCN(C(=O)Cc2csc(C[NH3+])n2)CC1 ZINC000049845036 790335416 /nfs/dbraw/zinc/33/54/16/790335416.db2.gz JNYPFXATSNAIPC-UHFFFAOYSA-N 2 2 254.359 -0.082 20 0 CBADLP CC(C)NC(=O)[C@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000229012442 790436185 /nfs/dbraw/zinc/43/61/85/790436185.db2.gz CSRMDNXUPRZPRB-NWDGAFQWSA-N 2 2 257.378 -0.054 20 0 CBADLP C[C@@H]1C[C@H](C(=O)N2CC[NH+](CCO)CC2)CC[NH2+]1 ZINC000235349685 790444441 /nfs/dbraw/zinc/44/44/41/790444441.db2.gz PJJYGBVRXMYPPR-VXGBXAGGSA-N 2 2 255.362 -0.489 20 0 CBADLP C[C@@H]1C[N@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)C[C@H]1[NH3+] ZINC000300089368 790467150 /nfs/dbraw/zinc/46/71/50/790467150.db2.gz PWRILMROWATKAI-GRYCIOLGSA-N 2 2 275.418 -0.063 20 0 CBADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)C[C@H]1[NH3+] ZINC000300089368 790467152 /nfs/dbraw/zinc/46/71/52/790467152.db2.gz PWRILMROWATKAI-GRYCIOLGSA-N 2 2 275.418 -0.063 20 0 CBADLP CNc1nccc(C[NH+]2CCN(CC[NH+](C)C)CC2)n1 ZINC000380176414 790512142 /nfs/dbraw/zinc/51/21/42/790512142.db2.gz AGEZAUOYQIWVGL-UHFFFAOYSA-N 2 2 278.404 -0.381 20 0 CBADLP C[NH2+]CC1CC[NH+](C[C@@H](O)C[N@H+](C)CCOC)CC1 ZINC000388734162 790557717 /nfs/dbraw/zinc/55/77/17/790557717.db2.gz KLRYIUNLCPRBAQ-AWEZNQCLSA-N 3 2 273.421 -0.143 20 0 CBADLP C[NH2+]CC1CC[NH+](C[C@@H](O)C[N@@H+](C)CCOC)CC1 ZINC000388734162 790557728 /nfs/dbraw/zinc/55/77/28/790557728.db2.gz KLRYIUNLCPRBAQ-AWEZNQCLSA-N 3 2 273.421 -0.143 20 0 CBADLP CNC(=O)CN1CCC([NH2+][C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000396552781 790582625 /nfs/dbraw/zinc/58/26/25/790582625.db2.gz PMBVDKPFCFQZMO-WCQYABFASA-N 2 2 268.405 -0.073 20 0 CBADLP CNC(=O)C[NH+]1CCC(N[C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000396552781 790582629 /nfs/dbraw/zinc/58/26/29/790582629.db2.gz PMBVDKPFCFQZMO-WCQYABFASA-N 2 2 268.405 -0.073 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](N3C(=O)CNC3=O)C2)CC1 ZINC000585379936 790636834 /nfs/dbraw/zinc/63/68/34/790636834.db2.gz PVLJIANDVSTXHO-LLVKDONJSA-N 2 2 266.345 -0.293 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@@H](N3C(=O)CNC3=O)C2)CC1 ZINC000585379936 790636842 /nfs/dbraw/zinc/63/68/42/790636842.db2.gz PVLJIANDVSTXHO-LLVKDONJSA-N 2 2 266.345 -0.293 20 0 CBADLP C[NH2+]C[C@@H]1CCC[N@H+](CCN2CCCS2(=O)=O)C1 ZINC000695135763 790689223 /nfs/dbraw/zinc/68/92/23/790689223.db2.gz RBZPWZXLBMOWMB-LBPRGKRZSA-N 2 2 275.418 -0.047 20 0 CBADLP C[NH2+]C[C@@H]1CCC[N@@H+](CCN2CCCS2(=O)=O)C1 ZINC000695135763 790689227 /nfs/dbraw/zinc/68/92/27/790689227.db2.gz RBZPWZXLBMOWMB-LBPRGKRZSA-N 2 2 275.418 -0.047 20 0 CBADLP COC[C@@]1(C(=O)NCc2[nH]c[nH+]c2C)C[NH2+]CCO1 ZINC000710852526 790740373 /nfs/dbraw/zinc/74/03/73/790740373.db2.gz OPQMXVCWLUAHCD-GFCCVEGCSA-N 2 2 268.317 -0.661 20 0 CBADLP C[C@@H](C(=O)N[C@H]1CC[N@H+](C)[C@@H]1C)N1CC[NH2+]CC1=O ZINC000719445624 790760415 /nfs/dbraw/zinc/76/04/15/790760415.db2.gz VZLRTPPFQLSVSW-VWYCJHECSA-N 2 2 268.361 -0.985 20 0 CBADLP C[C@@H](C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1C)N1CC[NH2+]CC1=O ZINC000719445624 790760426 /nfs/dbraw/zinc/76/04/26/790760426.db2.gz VZLRTPPFQLSVSW-VWYCJHECSA-N 2 2 268.361 -0.985 20 0 CBADLP C[C@H]1CO[C@H](C(=O)NCC[NH+]2CCC([NH3+])CC2)C1 ZINC000718450125 790760935 /nfs/dbraw/zinc/76/09/35/790760935.db2.gz VPQXYEGWDOLEIL-PWSUYJOCSA-N 2 2 255.362 -0.049 20 0 CBADLP CN1C[C@H](C(=O)NCC[NH+]2CCC([NH3+])CC2)CC1=O ZINC000721900999 790785775 /nfs/dbraw/zinc/78/57/75/790785775.db2.gz FYBLLDNTHJQELV-SNVBAGLBSA-N 2 2 268.361 -0.996 20 0 CBADLP C[C@H](O)C[NH+]1CCN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)CC1 ZINC000821271064 790830676 /nfs/dbraw/zinc/83/06/76/790830676.db2.gz KYVFTJSHIUYQMA-JSGCOSHPSA-N 2 2 297.399 -0.768 20 0 CBADLP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC[NH+](CCO)C(C)(C)C1 ZINC000828760374 790894976 /nfs/dbraw/zinc/89/49/76/790894976.db2.gz BUCBZTOGEJHYOX-DOMZBBRYSA-N 2 2 299.415 -0.643 20 0 CBADLP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC[NH+](CCO)C(C)(C)C1 ZINC000828760374 790894989 /nfs/dbraw/zinc/89/49/89/790894989.db2.gz BUCBZTOGEJHYOX-DOMZBBRYSA-N 2 2 299.415 -0.643 20 0 CBADLP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000828760374 790895000 /nfs/dbraw/zinc/89/50/00/790895000.db2.gz BUCBZTOGEJHYOX-DOMZBBRYSA-N 2 2 299.415 -0.643 20 0 CBADLP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000828760374 790895011 /nfs/dbraw/zinc/89/50/11/790895011.db2.gz BUCBZTOGEJHYOX-DOMZBBRYSA-N 2 2 299.415 -0.643 20 0 CBADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC[C@@H]([NH2+]CCO)C1 ZINC000968976758 790937194 /nfs/dbraw/zinc/93/71/94/790937194.db2.gz NFYICAQPKDWRIJ-GMTAPVOTSA-N 2 2 264.329 -0.304 20 0 CBADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CC[C@@H]([NH2+]CCO)C1 ZINC000968976758 790937205 /nfs/dbraw/zinc/93/72/05/790937205.db2.gz NFYICAQPKDWRIJ-GMTAPVOTSA-N 2 2 264.329 -0.304 20 0 CBADLP NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001022287693 791002206 /nfs/dbraw/zinc/00/22/06/791002206.db2.gz PDKVKLDLDFTEIY-AOOOYVTPSA-N 2 2 287.323 -0.101 20 0 CBADLP C[NH+](C)Cc1cc(C(=O)N[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)no1 ZINC001022342024 791007179 /nfs/dbraw/zinc/00/71/79/791007179.db2.gz USNSNCNLECZRJS-DTORHVGOSA-N 2 2 295.343 -0.928 20 0 CBADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCF)C[C@H]2O)CC[N@@H+]1C ZINC001077023651 805672896 /nfs/dbraw/zinc/67/28/96/805672896.db2.gz LTROQXLLGJRFII-DDHJBXDOSA-N 2 2 273.352 -0.543 20 0 CBADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCF)C[C@H]2O)CC[N@H+]1C ZINC001077023651 805672906 /nfs/dbraw/zinc/67/29/06/805672906.db2.gz LTROQXLLGJRFII-DDHJBXDOSA-N 2 2 273.352 -0.543 20 0 CBADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](CCF)C[C@H]2O)CC[NH+]1C ZINC001077023651 805672909 /nfs/dbraw/zinc/67/29/09/805672909.db2.gz LTROQXLLGJRFII-DDHJBXDOSA-N 2 2 273.352 -0.543 20 0 CBADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](CCF)C[C@H]2O)CC[NH+]1C ZINC001077023651 805672913 /nfs/dbraw/zinc/67/29/13/805672913.db2.gz LTROQXLLGJRFII-DDHJBXDOSA-N 2 2 273.352 -0.543 20 0 CBADLP CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001077258998 805707043 /nfs/dbraw/zinc/70/70/43/805707043.db2.gz FJTPERBNHNSIMY-IJLUTSLNSA-N 2 2 278.356 -0.373 20 0 CBADLP CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001077258998 805707047 /nfs/dbraw/zinc/70/70/47/805707047.db2.gz FJTPERBNHNSIMY-IJLUTSLNSA-N 2 2 278.356 -0.373 20 0 CBADLP CCc1noc(C[NH2+]CCNC(=O)COCC[NH+](C)C)n1 ZINC001147893711 814924889 /nfs/dbraw/zinc/92/48/89/814924889.db2.gz RUBBMZQCCOAXBQ-UHFFFAOYSA-N 2 2 299.375 -0.584 20 0 CBADLP C[C@@H](F)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001078009657 805821264 /nfs/dbraw/zinc/82/12/64/805821264.db2.gz LTWSIWFYZWASQF-RAIGVLPGSA-N 2 2 298.362 -0.128 20 0 CBADLP C[C@@H](F)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001078009657 805821276 /nfs/dbraw/zinc/82/12/76/805821276.db2.gz LTWSIWFYZWASQF-RAIGVLPGSA-N 2 2 298.362 -0.128 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@H+](CCC2CC2)C[C@H]1O ZINC001078007436 805822633 /nfs/dbraw/zinc/82/26/33/805822633.db2.gz RZOKYQLTEWAGKP-ZIAGYGMSSA-N 2 2 292.383 -0.076 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1O ZINC001078007436 805822643 /nfs/dbraw/zinc/82/26/43/805822643.db2.gz RZOKYQLTEWAGKP-ZIAGYGMSSA-N 2 2 292.383 -0.076 20 0 CBADLP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCF)C[C@H]2O)C1 ZINC001078175107 805850733 /nfs/dbraw/zinc/85/07/33/805850733.db2.gz WJEWSNGXSXWTHW-GMTAPVOTSA-N 2 2 259.325 -0.931 20 0 CBADLP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCF)C[C@H]2O)C1 ZINC001078175107 805850741 /nfs/dbraw/zinc/85/07/41/805850741.db2.gz WJEWSNGXSXWTHW-GMTAPVOTSA-N 2 2 259.325 -0.931 20 0 CBADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCF)C[C@H]2O)C1 ZINC001078175107 805850751 /nfs/dbraw/zinc/85/07/51/805850751.db2.gz WJEWSNGXSXWTHW-GMTAPVOTSA-N 2 2 259.325 -0.931 20 0 CBADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCF)C[C@H]2O)C1 ZINC001078175107 805850760 /nfs/dbraw/zinc/85/07/60/805850760.db2.gz WJEWSNGXSXWTHW-GMTAPVOTSA-N 2 2 259.325 -0.931 20 0 CBADLP COC[C@H](C)[NH2+]CCNC(=O)Cc1c[nH+]cn1C ZINC001147907657 814925931 /nfs/dbraw/zinc/92/59/31/814925931.db2.gz HFKGEEPLZWXCOJ-JTQLQIEISA-N 2 2 254.334 -0.297 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[C@H]([NH2+]CCO)C12CCC2 ZINC001078784407 805890427 /nfs/dbraw/zinc/89/04/27/805890427.db2.gz SKWMJFPFDMZICI-QWHCGFSZSA-N 2 2 292.383 -0.028 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1C[C@@H]([NH2+]CCO)C12CCC2 ZINC001078734784 805889065 /nfs/dbraw/zinc/88/90/65/805889065.db2.gz VIKFSVXSPUDXTC-VXGBXAGGSA-N 2 2 278.356 -0.039 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@@H]([NH2+]CCO)C12CCC2 ZINC001078761476 805891060 /nfs/dbraw/zinc/89/10/60/805891060.db2.gz MKUWFFFCUYNDPC-MNOVXSKESA-N 2 2 278.356 -0.039 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NCC[NH2+]CC(=O)N1CCCC1 ZINC001147900337 814926801 /nfs/dbraw/zinc/92/68/01/814926801.db2.gz MVLOZWXTJSGNMQ-UHFFFAOYSA-N 2 2 293.371 -0.709 20 0 CBADLP CCc1nnc(C[NH2+]CCNC(=O)C23CC[NH+](CC2)C3)o1 ZINC001147976834 814927839 /nfs/dbraw/zinc/92/78/39/814927839.db2.gz BKDRGEOICWGSPP-UHFFFAOYSA-N 2 2 293.371 -0.066 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001080941248 806015805 /nfs/dbraw/zinc/01/58/05/806015805.db2.gz XZNIIBIOFWTRKB-IJLUTSLNSA-N 2 2 282.388 -0.608 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001080941248 806015812 /nfs/dbraw/zinc/01/58/12/806015812.db2.gz XZNIIBIOFWTRKB-IJLUTSLNSA-N 2 2 282.388 -0.608 20 0 CBADLP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CC(N)=O)C[C@H]1C ZINC001080997615 806022723 /nfs/dbraw/zinc/02/27/23/806022723.db2.gz GYNCSZAHGBHIRL-UPJWGTAASA-N 2 2 296.415 -0.217 20 0 CBADLP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CC(N)=O)C[C@H]1C ZINC001080997615 806022731 /nfs/dbraw/zinc/02/27/31/806022731.db2.gz GYNCSZAHGBHIRL-UPJWGTAASA-N 2 2 296.415 -0.217 20 0 CBADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C ZINC001080997615 806022739 /nfs/dbraw/zinc/02/27/39/806022739.db2.gz GYNCSZAHGBHIRL-UPJWGTAASA-N 2 2 296.415 -0.217 20 0 CBADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C ZINC001080997615 806022744 /nfs/dbraw/zinc/02/27/44/806022744.db2.gz GYNCSZAHGBHIRL-UPJWGTAASA-N 2 2 296.415 -0.217 20 0 CBADLP CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)C[NH+]1CCC[C@@H]1C ZINC001082133664 806147552 /nfs/dbraw/zinc/14/75/52/806147552.db2.gz LLKIPODHZYKHKQ-YNEHKIRRSA-N 2 2 285.388 -0.722 20 0 CBADLP CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)C[NH+]1CCC[C@@H]1C ZINC001082133664 806147558 /nfs/dbraw/zinc/14/75/58/806147558.db2.gz LLKIPODHZYKHKQ-YNEHKIRRSA-N 2 2 285.388 -0.722 20 0 CBADLP CO[C@@H]1C[NH+](CCO)C[C@H]1NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001082133664 806147566 /nfs/dbraw/zinc/14/75/66/806147566.db2.gz LLKIPODHZYKHKQ-YNEHKIRRSA-N 2 2 285.388 -0.722 20 0 CBADLP CO[C@@H]1C[N@H+](C[C@H](C)O)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001082327414 806163653 /nfs/dbraw/zinc/16/36/53/806163653.db2.gz SCPQIMRGWGEHCJ-CYZMBNFOSA-N 2 2 296.371 -0.841 20 0 CBADLP CO[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001082327414 806163657 /nfs/dbraw/zinc/16/36/57/806163657.db2.gz SCPQIMRGWGEHCJ-CYZMBNFOSA-N 2 2 296.371 -0.841 20 0 CBADLP CO[C@@H]1C[N@H+](C[C@@H](C)O)C[C@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC001082346224 806168351 /nfs/dbraw/zinc/16/83/51/806168351.db2.gz WKKGUZOPSCFZFV-OASPWFOLSA-N 2 2 296.371 -0.543 20 0 CBADLP CO[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC001082346224 806168357 /nfs/dbraw/zinc/16/83/57/806168357.db2.gz WKKGUZOPSCFZFV-OASPWFOLSA-N 2 2 296.371 -0.543 20 0 CBADLP COCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](OC)C1 ZINC001082395045 806173111 /nfs/dbraw/zinc/17/31/11/806173111.db2.gz SKSZQBVBNJVYMD-VXGBXAGGSA-N 2 2 282.344 -0.655 20 0 CBADLP COCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](OC)C1 ZINC001082395045 806173116 /nfs/dbraw/zinc/17/31/16/806173116.db2.gz SKSZQBVBNJVYMD-VXGBXAGGSA-N 2 2 282.344 -0.655 20 0 CBADLP CC[C@H]([NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C)C(N)=O ZINC001082824203 806194954 /nfs/dbraw/zinc/19/49/54/806194954.db2.gz NADBPUUTSOYCRU-OUAUKWLOSA-N 2 2 293.371 -0.347 20 0 CBADLP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001082958039 806198869 /nfs/dbraw/zinc/19/88/69/806198869.db2.gz XJIWTBRZAIFQKB-GRYCIOLGSA-N 2 2 266.345 -0.300 20 0 CBADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCF)C[C@@H]2O)CC[N@@H+]1C ZINC001083472695 806337672 /nfs/dbraw/zinc/33/76/72/806337672.db2.gz LTROQXLLGJRFII-KKOKHZNYSA-N 2 2 273.352 -0.543 20 0 CBADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCF)C[C@@H]2O)CC[N@H+]1C ZINC001083472695 806337682 /nfs/dbraw/zinc/33/76/82/806337682.db2.gz LTROQXLLGJRFII-KKOKHZNYSA-N 2 2 273.352 -0.543 20 0 CBADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](CCF)C[C@@H]2O)CC[NH+]1C ZINC001083472695 806337692 /nfs/dbraw/zinc/33/76/92/806337692.db2.gz LTROQXLLGJRFII-KKOKHZNYSA-N 2 2 273.352 -0.543 20 0 CBADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](CCF)C[C@@H]2O)CC[NH+]1C ZINC001083472695 806337700 /nfs/dbraw/zinc/33/77/00/806337700.db2.gz LTROQXLLGJRFII-KKOKHZNYSA-N 2 2 273.352 -0.543 20 0 CBADLP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCO)C[C@@H]1O ZINC001083571673 806368020 /nfs/dbraw/zinc/36/80/20/806368020.db2.gz HIDKSZMLKZKXON-UPJWGTAASA-N 2 2 285.388 -0.986 20 0 CBADLP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCO)C[C@@H]1O ZINC001083571673 806368031 /nfs/dbraw/zinc/36/80/31/806368031.db2.gz HIDKSZMLKZKXON-UPJWGTAASA-N 2 2 285.388 -0.986 20 0 CBADLP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001083571673 806368039 /nfs/dbraw/zinc/36/80/39/806368039.db2.gz HIDKSZMLKZKXON-UPJWGTAASA-N 2 2 285.388 -0.986 20 0 CBADLP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001083571673 806368049 /nfs/dbraw/zinc/36/80/49/806368049.db2.gz HIDKSZMLKZKXON-UPJWGTAASA-N 2 2 285.388 -0.986 20 0 CBADLP COCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@@H](O)C1 ZINC001083572110 806368745 /nfs/dbraw/zinc/36/87/45/806368745.db2.gz AZPQKLSYBAOUEX-AGIUHOORSA-N 2 2 285.388 -0.722 20 0 CBADLP COCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@@H](O)C1 ZINC001083572110 806368754 /nfs/dbraw/zinc/36/87/54/806368754.db2.gz AZPQKLSYBAOUEX-AGIUHOORSA-N 2 2 285.388 -0.722 20 0 CBADLP COCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)[C@@H](O)C1 ZINC001083572110 806368763 /nfs/dbraw/zinc/36/87/63/806368763.db2.gz AZPQKLSYBAOUEX-AGIUHOORSA-N 2 2 285.388 -0.722 20 0 CBADLP COCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)[C@@H](O)C1 ZINC001083572110 806368769 /nfs/dbraw/zinc/36/87/69/806368769.db2.gz AZPQKLSYBAOUEX-AGIUHOORSA-N 2 2 285.388 -0.722 20 0 CBADLP C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001083782876 806431571 /nfs/dbraw/zinc/43/15/71/806431571.db2.gz PXXBNDBNZJIWPO-UPJWGTAASA-N 2 2 299.415 -0.740 20 0 CBADLP C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001083782876 806431578 /nfs/dbraw/zinc/43/15/78/806431578.db2.gz PXXBNDBNZJIWPO-UPJWGTAASA-N 2 2 299.415 -0.740 20 0 CBADLP C[C@@H](O)C[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001083782876 806431584 /nfs/dbraw/zinc/43/15/84/806431584.db2.gz PXXBNDBNZJIWPO-UPJWGTAASA-N 2 2 299.415 -0.740 20 0 CBADLP C[C@@H](O)C[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001083782876 806431588 /nfs/dbraw/zinc/43/15/88/806431588.db2.gz PXXBNDBNZJIWPO-UPJWGTAASA-N 2 2 299.415 -0.740 20 0 CBADLP CO[C@@H](C)C[N@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001083954272 806468661 /nfs/dbraw/zinc/46/86/61/806468661.db2.gz SAYKIJIIDVZZOT-UHTWSYAYSA-N 2 2 296.371 -0.841 20 0 CBADLP CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001083954272 806468664 /nfs/dbraw/zinc/46/86/64/806468664.db2.gz SAYKIJIIDVZZOT-UHTWSYAYSA-N 2 2 296.371 -0.841 20 0 CBADLP CC[C@@H](F)C[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001083959381 806470890 /nfs/dbraw/zinc/47/08/90/806470890.db2.gz TZXFEMZVUQTHND-UPJWGTAASA-N 2 2 299.390 -0.008 20 0 CBADLP CC[C@@H](F)C[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001083959381 806470893 /nfs/dbraw/zinc/47/08/93/806470893.db2.gz TZXFEMZVUQTHND-UPJWGTAASA-N 2 2 299.390 -0.008 20 0 CBADLP CO[C@H](C)C[N@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](O)C1 ZINC001083997655 806472953 /nfs/dbraw/zinc/47/29/53/806472953.db2.gz HKANLQLSCNOWDZ-WQAKAFBOSA-N 2 2 296.371 -0.543 20 0 CBADLP CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](O)C1 ZINC001083997655 806472958 /nfs/dbraw/zinc/47/29/58/806472958.db2.gz HKANLQLSCNOWDZ-WQAKAFBOSA-N 2 2 296.371 -0.543 20 0 CBADLP C[C@H](F)CC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001084114789 806489451 /nfs/dbraw/zinc/48/94/51/806489451.db2.gz GFQUOQHIUBXNKU-TUAOUCFPSA-N 2 2 284.335 -0.208 20 0 CBADLP C[C@H](F)CC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001084114789 806489454 /nfs/dbraw/zinc/48/94/54/806489454.db2.gz GFQUOQHIUBXNKU-TUAOUCFPSA-N 2 2 284.335 -0.208 20 0 CBADLP CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001084251595 806506859 /nfs/dbraw/zinc/50/68/59/806506859.db2.gz UBJZRHNLEVXDJV-UPJWGTAASA-N 2 2 267.373 -0.130 20 0 CBADLP CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001084251595 806506861 /nfs/dbraw/zinc/50/68/61/806506861.db2.gz UBJZRHNLEVXDJV-UPJWGTAASA-N 2 2 267.373 -0.130 20 0 CBADLP CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001084251595 806506866 /nfs/dbraw/zinc/50/68/66/806506866.db2.gz UBJZRHNLEVXDJV-UPJWGTAASA-N 2 2 267.373 -0.130 20 0 CBADLP CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC001084251595 806506870 /nfs/dbraw/zinc/50/68/70/806506870.db2.gz UBJZRHNLEVXDJV-UPJWGTAASA-N 2 2 267.373 -0.130 20 0 CBADLP COCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001084251137 806507372 /nfs/dbraw/zinc/50/73/72/806507372.db2.gz CKQMBASZOPLZCN-MGPQQGTHSA-N 2 2 297.399 -0.504 20 0 CBADLP COCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001084251137 806507378 /nfs/dbraw/zinc/50/73/78/806507378.db2.gz CKQMBASZOPLZCN-MGPQQGTHSA-N 2 2 297.399 -0.504 20 0 CBADLP COCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001084251137 806507385 /nfs/dbraw/zinc/50/73/85/806507385.db2.gz CKQMBASZOPLZCN-MGPQQGTHSA-N 2 2 297.399 -0.504 20 0 CBADLP COCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC001084251137 806507391 /nfs/dbraw/zinc/50/73/91/806507391.db2.gz CKQMBASZOPLZCN-MGPQQGTHSA-N 2 2 297.399 -0.504 20 0 CBADLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH]c[nH+]1)C(N)=O ZINC001085345969 806553364 /nfs/dbraw/zinc/55/33/64/806553364.db2.gz ZNLKHEZLBKVXQE-MVWJERBFSA-N 2 2 293.371 -0.157 20 0 CBADLP CN(C[C@@H]1CC[N@@H+]1CCO)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001085681596 806592754 /nfs/dbraw/zinc/59/27/54/806592754.db2.gz AWRAGCKQZXBWBV-JSGCOSHPSA-N 2 2 292.383 -0.030 20 0 CBADLP CN(C[C@@H]1CC[N@H+]1CCO)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001085681596 806592760 /nfs/dbraw/zinc/59/27/60/806592760.db2.gz AWRAGCKQZXBWBV-JSGCOSHPSA-N 2 2 292.383 -0.030 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@H]1CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001085927701 806624100 /nfs/dbraw/zinc/62/41/00/806624100.db2.gz FDKVXOKFQDEGHZ-RYUDHWBXSA-N 2 2 294.399 -0.511 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CC[C@H]1CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001085927701 806624105 /nfs/dbraw/zinc/62/41/05/806624105.db2.gz FDKVXOKFQDEGHZ-RYUDHWBXSA-N 2 2 294.399 -0.511 20 0 CBADLP CN(C)C(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001085968853 806627386 /nfs/dbraw/zinc/62/73/86/806627386.db2.gz QOYKCUFOCUINNA-OLZOCXBDSA-N 2 2 296.415 -0.441 20 0 CBADLP CN(C)C(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001085968853 806627388 /nfs/dbraw/zinc/62/73/88/806627388.db2.gz QOYKCUFOCUINNA-OLZOCXBDSA-N 2 2 296.415 -0.441 20 0 CBADLP CN(C)C(=O)C[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001085968853 806627391 /nfs/dbraw/zinc/62/73/91/806627391.db2.gz QOYKCUFOCUINNA-OLZOCXBDSA-N 2 2 296.415 -0.441 20 0 CBADLP CN(C)C(=O)C[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001085968853 806627392 /nfs/dbraw/zinc/62/73/92/806627392.db2.gz QOYKCUFOCUINNA-OLZOCXBDSA-N 2 2 296.415 -0.441 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1C[C@@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001022775758 798840983 /nfs/dbraw/zinc/84/09/83/798840983.db2.gz GXPSVXQTBLADAV-JFGNBEQYSA-N 2 2 291.355 -0.532 20 0 CBADLP CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)C1)C(N)=O ZINC001022978242 798872414 /nfs/dbraw/zinc/87/24/14/798872414.db2.gz WEDWVIJYQPOUKZ-UMNHJUIQSA-N 2 2 293.371 -0.537 20 0 CBADLP CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1)C(N)=O ZINC001023025124 798874610 /nfs/dbraw/zinc/87/46/10/798874610.db2.gz WRHVUQUGOPYNSF-AXFHLTTASA-N 2 2 293.371 -0.239 20 0 CBADLP O=C(N[C@H]1C[C@@H]([NH2+]CCO)C1)[C@H](C1CC1)[NH+]1CCOCC1 ZINC001023117600 798884414 /nfs/dbraw/zinc/88/44/14/798884414.db2.gz VUAGNGAYKLTIAF-MJBXVCDLSA-N 2 2 297.399 -0.674 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001023159251 798888050 /nfs/dbraw/zinc/88/80/50/798888050.db2.gz VUISRJMWQJRFMB-AXFHLTTASA-N 2 2 277.328 -0.992 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC(N)=O ZINC001024367236 798934126 /nfs/dbraw/zinc/93/41/26/798934126.db2.gz YICKNMPBIXJTSJ-RYUDHWBXSA-N 2 2 282.388 -0.463 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CC(N)=O ZINC001024367236 798934129 /nfs/dbraw/zinc/93/41/29/798934129.db2.gz YICKNMPBIXJTSJ-RYUDHWBXSA-N 2 2 282.388 -0.463 20 0 CBADLP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CC(N)=O ZINC001024367236 798934132 /nfs/dbraw/zinc/93/41/32/798934132.db2.gz YICKNMPBIXJTSJ-RYUDHWBXSA-N 2 2 282.388 -0.463 20 0 CBADLP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CC(N)=O ZINC001024367236 798934133 /nfs/dbraw/zinc/93/41/33/798934133.db2.gz YICKNMPBIXJTSJ-RYUDHWBXSA-N 2 2 282.388 -0.463 20 0 CBADLP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CC(N)=O ZINC001024514157 798940805 /nfs/dbraw/zinc/94/08/05/798940805.db2.gz WKUFFTQMWVFJQL-OLZOCXBDSA-N 2 2 296.415 -0.073 20 0 CBADLP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CC(N)=O ZINC001024514157 798940808 /nfs/dbraw/zinc/94/08/08/798940808.db2.gz WKUFFTQMWVFJQL-OLZOCXBDSA-N 2 2 296.415 -0.073 20 0 CBADLP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CC(N)=O ZINC001024514157 798940812 /nfs/dbraw/zinc/94/08/12/798940812.db2.gz WKUFFTQMWVFJQL-OLZOCXBDSA-N 2 2 296.415 -0.073 20 0 CBADLP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CC(N)=O ZINC001024514157 798940813 /nfs/dbraw/zinc/94/08/13/798940813.db2.gz WKUFFTQMWVFJQL-OLZOCXBDSA-N 2 2 296.415 -0.073 20 0 CBADLP C[NH+]1CCC(C(=O)NC[C@H]2CCCC[N@@H+]2CC(N)=O)CC1 ZINC001024634203 798943994 /nfs/dbraw/zinc/94/39/94/798943994.db2.gz SINLHCXCCLKXLR-CYBMUJFWSA-N 2 2 296.415 -0.216 20 0 CBADLP C[NH+]1CCC(C(=O)NC[C@H]2CCCC[N@H+]2CC(N)=O)CC1 ZINC001024634203 798943995 /nfs/dbraw/zinc/94/39/95/798943995.db2.gz SINLHCXCCLKXLR-CYBMUJFWSA-N 2 2 296.415 -0.216 20 0 CBADLP C[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001025815036 798978479 /nfs/dbraw/zinc/97/84/79/798978479.db2.gz GRCGUQJBXZDLNC-NGBGQIEVSA-N 2 2 290.367 -0.060 20 0 CBADLP C[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001025815036 798978480 /nfs/dbraw/zinc/97/84/80/798978480.db2.gz GRCGUQJBXZDLNC-NGBGQIEVSA-N 2 2 290.367 -0.060 20 0 CBADLP C[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001025815036 798978483 /nfs/dbraw/zinc/97/84/83/798978483.db2.gz GRCGUQJBXZDLNC-NGBGQIEVSA-N 2 2 290.367 -0.060 20 0 CBADLP C[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001025815036 798978485 /nfs/dbraw/zinc/97/84/85/798978485.db2.gz GRCGUQJBXZDLNC-NGBGQIEVSA-N 2 2 290.367 -0.060 20 0 CBADLP NC(=O)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]12 ZINC001026388304 799002714 /nfs/dbraw/zinc/00/27/14/799002714.db2.gz LZSSGIINFVFHHM-GMTAPVOTSA-N 2 2 291.355 -0.736 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC1CCC([NH2+]CCO)CC1 ZINC001026592482 799011378 /nfs/dbraw/zinc/01/13/78/799011378.db2.gz CGRDNCGZLHUFNF-UHFFFAOYSA-N 2 2 280.372 -0.028 20 0 CBADLP C[N@H+](CC(N)=O)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001027701861 799064547 /nfs/dbraw/zinc/06/45/47/799064547.db2.gz KUVVOBFVYCHNEX-LLVKDONJSA-N 2 2 279.344 -0.709 20 0 CBADLP C[N@@H+](CC(N)=O)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001027701861 799064552 /nfs/dbraw/zinc/06/45/52/799064552.db2.gz KUVVOBFVYCHNEX-LLVKDONJSA-N 2 2 279.344 -0.709 20 0 CBADLP CNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001027792805 799078905 /nfs/dbraw/zinc/07/89/05/799078905.db2.gz WPWOYGLZUZGJDM-VXGBXAGGSA-N 2 2 282.388 -0.593 20 0 CBADLP CNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001027792805 799078914 /nfs/dbraw/zinc/07/89/14/799078914.db2.gz WPWOYGLZUZGJDM-VXGBXAGGSA-N 2 2 282.388 -0.593 20 0 CBADLP CNC(=O)C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001027792805 799078920 /nfs/dbraw/zinc/07/89/20/799078920.db2.gz WPWOYGLZUZGJDM-VXGBXAGGSA-N 2 2 282.388 -0.593 20 0 CBADLP CNC(=O)C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001027792805 799078927 /nfs/dbraw/zinc/07/89/27/799078927.db2.gz WPWOYGLZUZGJDM-VXGBXAGGSA-N 2 2 282.388 -0.593 20 0 CBADLP CNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001027972177 799099410 /nfs/dbraw/zinc/09/94/10/799099410.db2.gz RHIYWLNFZSQCSV-OLZOCXBDSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001027972177 799099413 /nfs/dbraw/zinc/09/94/13/799099413.db2.gz RHIYWLNFZSQCSV-OLZOCXBDSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001027972177 799099424 /nfs/dbraw/zinc/09/94/24/799099424.db2.gz RHIYWLNFZSQCSV-OLZOCXBDSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001027972177 799099431 /nfs/dbraw/zinc/09/94/31/799099431.db2.gz RHIYWLNFZSQCSV-OLZOCXBDSA-N 2 2 296.415 -0.203 20 0 CBADLP NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001027996127 799101768 /nfs/dbraw/zinc/10/17/68/799101768.db2.gz BWDCXZVSARHCOF-GFCCVEGCSA-N 2 2 294.399 -0.319 20 0 CBADLP NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001027996127 799101770 /nfs/dbraw/zinc/10/17/70/799101770.db2.gz BWDCXZVSARHCOF-GFCCVEGCSA-N 2 2 294.399 -0.319 20 0 CBADLP NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001028262696 799120151 /nfs/dbraw/zinc/12/01/51/799120151.db2.gz AFXCELKOQHPOHF-LLVKDONJSA-N 2 2 280.372 -0.852 20 0 CBADLP NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001028262696 799120156 /nfs/dbraw/zinc/12/01/56/799120156.db2.gz AFXCELKOQHPOHF-LLVKDONJSA-N 2 2 280.372 -0.852 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[NH+](CCF)C2)C1 ZINC001028465959 799139670 /nfs/dbraw/zinc/13/96/70/799139670.db2.gz NTCRSFBKVMMVDQ-VXGBXAGGSA-N 2 2 273.352 -0.275 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[NH+](CCF)C2)C1 ZINC001028465959 799139675 /nfs/dbraw/zinc/13/96/75/799139675.db2.gz NTCRSFBKVMMVDQ-VXGBXAGGSA-N 2 2 273.352 -0.275 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)NC[C@H]2CC[N@H+](CCF)C2)C1 ZINC001028465959 799139681 /nfs/dbraw/zinc/13/96/81/799139681.db2.gz NTCRSFBKVMMVDQ-VXGBXAGGSA-N 2 2 273.352 -0.275 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)NC[C@H]2CC[N@@H+](CCF)C2)C1 ZINC001028465959 799139687 /nfs/dbraw/zinc/13/96/87/799139687.db2.gz NTCRSFBKVMMVDQ-VXGBXAGGSA-N 2 2 273.352 -0.275 20 0 CBADLP O=C(NC[C@H]1CC[N@@H+](CCO)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC001028638582 799156380 /nfs/dbraw/zinc/15/63/80/799156380.db2.gz LWSBDYQOLLJORP-OLZOCXBDSA-N 2 2 292.383 -0.124 20 0 CBADLP O=C(NC[C@H]1CC[N@H+](CCO)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC001028638582 799156385 /nfs/dbraw/zinc/15/63/85/799156385.db2.gz LWSBDYQOLLJORP-OLZOCXBDSA-N 2 2 292.383 -0.124 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001030025729 799214113 /nfs/dbraw/zinc/21/41/13/799214113.db2.gz UKPUUNNQEHFFCQ-IJLUTSLNSA-N 2 2 282.388 -0.465 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001030025729 799214117 /nfs/dbraw/zinc/21/41/17/799214117.db2.gz UKPUUNNQEHFFCQ-IJLUTSLNSA-N 2 2 282.388 -0.465 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001030025729 799214122 /nfs/dbraw/zinc/21/41/22/799214122.db2.gz UKPUUNNQEHFFCQ-IJLUTSLNSA-N 2 2 282.388 -0.465 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001030025729 799214128 /nfs/dbraw/zinc/21/41/28/799214128.db2.gz UKPUUNNQEHFFCQ-IJLUTSLNSA-N 2 2 282.388 -0.465 20 0 CBADLP CO[C@H](C)C[NH+]1CC(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001030162649 799253343 /nfs/dbraw/zinc/25/33/43/799253343.db2.gz XSKFTRUXSXYVND-ZYHUDNBSSA-N 2 2 255.362 -0.084 20 0 CBADLP CO[C@H](C)C[NH+]1CC(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001030162649 799253345 /nfs/dbraw/zinc/25/33/45/799253345.db2.gz XSKFTRUXSXYVND-ZYHUDNBSSA-N 2 2 255.362 -0.084 20 0 CBADLP CC(C)C[NH+]1CC(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001030180297 799258009 /nfs/dbraw/zinc/25/80/09/799258009.db2.gz NVWALXACFSQQCT-LBPRGKRZSA-N 2 2 255.362 -0.227 20 0 CBADLP CC(C)C[NH+]1CC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001030180297 799258010 /nfs/dbraw/zinc/25/80/10/799258010.db2.gz NVWALXACFSQQCT-LBPRGKRZSA-N 2 2 255.362 -0.227 20 0 CBADLP O=C(NC1C[NH+](CCO)C1)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001030306136 799293206 /nfs/dbraw/zinc/29/32/06/799293206.db2.gz KSOGIOBNWSZNOQ-WCQYABFASA-N 2 2 267.373 -0.347 20 0 CBADLP O=C(NC1C[NH+](CCO)C1)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001030306136 799293208 /nfs/dbraw/zinc/29/32/08/799293208.db2.gz KSOGIOBNWSZNOQ-WCQYABFASA-N 2 2 267.373 -0.347 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)NC2C[NH+](C[C@@H](C)O)C2)CC[N@@H+]1C ZINC001030339431 799298585 /nfs/dbraw/zinc/29/85/85/799298585.db2.gz SSLUSKLNYXMUOA-KGYLQXTDSA-N 2 2 269.389 -0.102 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)NC2C[NH+](C[C@@H](C)O)C2)CC[N@H+]1C ZINC001030339431 799298590 /nfs/dbraw/zinc/29/85/90/799298590.db2.gz SSLUSKLNYXMUOA-KGYLQXTDSA-N 2 2 269.389 -0.102 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)NC2C[NH+](CCCO)C2)CC[N@@H+]1C ZINC001030339684 799298943 /nfs/dbraw/zinc/29/89/43/799298943.db2.gz FKLLDQCLTVBEEB-QWHCGFSZSA-N 2 2 269.389 -0.101 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)NC2C[NH+](CCCO)C2)CC[N@H+]1C ZINC001030339684 799298947 /nfs/dbraw/zinc/29/89/47/799298947.db2.gz FKLLDQCLTVBEEB-QWHCGFSZSA-N 2 2 269.389 -0.101 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NC1C[NH+](C[C@@H](C)O)C1 ZINC001030684342 799359925 /nfs/dbraw/zinc/35/99/25/799359925.db2.gz WQLMMCXEJCDUOA-SNVBAGLBSA-N 2 2 252.318 -0.627 20 0 CBADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)NC2C[NH+](CCCO)C2)C1 ZINC001030832681 799392707 /nfs/dbraw/zinc/39/27/07/799392707.db2.gz GZLRRXHEWATXCN-CYBMUJFWSA-N 2 2 285.388 -0.722 20 0 CBADLP CC(C)[N@H+]1CCO[C@@H](C(=O)NC2C[NH+](CCCO)C2)C1 ZINC001030832681 799392712 /nfs/dbraw/zinc/39/27/12/799392712.db2.gz GZLRRXHEWATXCN-CYBMUJFWSA-N 2 2 285.388 -0.722 20 0 CBADLP C[C@@H]1CC[N@H+](CC(=O)NC2C[NH+](CCCO)C2)C1 ZINC001030958736 799417942 /nfs/dbraw/zinc/41/79/42/799417942.db2.gz SAYLILHQCNONPH-LLVKDONJSA-N 2 2 255.362 -0.489 20 0 CBADLP C[C@@H]1CC[N@@H+](CC(=O)NC2C[NH+](CCCO)C2)C1 ZINC001030958736 799417947 /nfs/dbraw/zinc/41/79/47/799417947.db2.gz SAYLILHQCNONPH-LLVKDONJSA-N 2 2 255.362 -0.489 20 0 CBADLP COCC[NH+]1CC(NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001030960051 799418282 /nfs/dbraw/zinc/41/82/82/799418282.db2.gz HSIWXUXRWKXDRZ-ZYHUDNBSSA-N 2 2 255.362 -0.369 20 0 CBADLP COCC[NH+]1CC(NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001030960051 799418285 /nfs/dbraw/zinc/41/82/85/799418285.db2.gz HSIWXUXRWKXDRZ-ZYHUDNBSSA-N 2 2 255.362 -0.369 20 0 CBADLP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NC1C[NH+](CCCO)C1 ZINC001030964860 799419592 /nfs/dbraw/zinc/41/95/92/799419592.db2.gz XDMWCAAZXCEAOJ-JQWIXIFHSA-N 2 2 255.362 -0.633 20 0 CBADLP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1C[NH+](CCCO)C1 ZINC001030964860 799419594 /nfs/dbraw/zinc/41/95/94/799419594.db2.gz XDMWCAAZXCEAOJ-JQWIXIFHSA-N 2 2 255.362 -0.633 20 0 CBADLP C[C@H](O)C[NH+]1CC(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001031051270 799433404 /nfs/dbraw/zinc/43/34/04/799433404.db2.gz QZVHLRKDYNUZKR-NSHDSACASA-N 2 2 269.389 -0.101 20 0 CBADLP CO[C@H](C)C[NH+]1CC(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001031386076 799482568 /nfs/dbraw/zinc/48/25/68/799482568.db2.gz WXJUBNQRPGWLMY-MNOVXSKESA-N 2 2 255.362 -0.227 20 0 CBADLP CO[C@H](C)C[NH+]1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001031386076 799482570 /nfs/dbraw/zinc/48/25/70/799482570.db2.gz WXJUBNQRPGWLMY-MNOVXSKESA-N 2 2 255.362 -0.227 20 0 CBADLP NC(=O)C[NH+]1CC(CNC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC001031668854 799530042 /nfs/dbraw/zinc/53/00/42/799530042.db2.gz QTEOPVCVQKDUQJ-STQMWFEESA-N 2 2 294.399 -0.606 20 0 CBADLP NC(=O)C[NH+]1CC(CNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001031668854 799530047 /nfs/dbraw/zinc/53/00/47/799530047.db2.gz QTEOPVCVQKDUQJ-STQMWFEESA-N 2 2 294.399 -0.606 20 0 CBADLP NC(=O)C[NH+]1CC(CNC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC001031668851 799531038 /nfs/dbraw/zinc/53/10/38/799531038.db2.gz QTEOPVCVQKDUQJ-CHWSQXEVSA-N 2 2 294.399 -0.606 20 0 CBADLP NC(=O)C[NH+]1CC(CNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001031668851 799531041 /nfs/dbraw/zinc/53/10/41/799531041.db2.gz QTEOPVCVQKDUQJ-CHWSQXEVSA-N 2 2 294.399 -0.606 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001031772007 799542828 /nfs/dbraw/zinc/54/28/28/799542828.db2.gz LITIPKGUDITQBB-JQWIXIFHSA-N 2 2 282.388 -0.608 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001031772007 799542830 /nfs/dbraw/zinc/54/28/30/799542830.db2.gz LITIPKGUDITQBB-JQWIXIFHSA-N 2 2 282.388 -0.608 20 0 CBADLP O=C(NCC1C[NH+](CCO)C1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001031968276 799567060 /nfs/dbraw/zinc/56/70/60/799567060.db2.gz SUYVDRIIVVDABH-NSHDSACASA-N 2 2 278.356 -0.130 20 0 CBADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1C[NH+](CCCO)C1 ZINC001031982725 799569874 /nfs/dbraw/zinc/56/98/74/799569874.db2.gz BCYNHSLEWJWWHX-CHWSQXEVSA-N 2 2 292.383 -0.046 20 0 CBADLP NC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001032044722 799574885 /nfs/dbraw/zinc/57/48/85/799574885.db2.gz ZEVDNNHEWZTUQY-OLZOCXBDSA-N 2 2 294.399 -0.463 20 0 CBADLP NC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001032044722 799574888 /nfs/dbraw/zinc/57/48/88/799574888.db2.gz ZEVDNNHEWZTUQY-OLZOCXBDSA-N 2 2 294.399 -0.463 20 0 CBADLP NC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001032044724 799575213 /nfs/dbraw/zinc/57/52/13/799575213.db2.gz ZEVDNNHEWZTUQY-STQMWFEESA-N 2 2 294.399 -0.463 20 0 CBADLP NC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001032044724 799575215 /nfs/dbraw/zinc/57/52/15/799575215.db2.gz ZEVDNNHEWZTUQY-STQMWFEESA-N 2 2 294.399 -0.463 20 0 CBADLP O=C(NCC1C[NH+]([C@@H]2CCNC2=O)C1)C12CC[NH+](CC1)C2 ZINC001032130669 799583996 /nfs/dbraw/zinc/58/39/96/799583996.db2.gz YDBCONGGZCGKSQ-GFCCVEGCSA-N 2 2 292.383 -0.981 20 0 CBADLP C[N@@H+]1CC[C@@H](C(=O)NCC2C[NH+](CC(=O)NC3CC3)C2)C1 ZINC001032182728 799589933 /nfs/dbraw/zinc/58/99/33/799589933.db2.gz QJBIQWNXDZJRNF-GFCCVEGCSA-N 2 2 294.399 -0.735 20 0 CBADLP C[N@H+]1CC[C@@H](C(=O)NCC2C[NH+](CC(=O)NC3CC3)C2)C1 ZINC001032182728 799589936 /nfs/dbraw/zinc/58/99/36/799589936.db2.gz QJBIQWNXDZJRNF-GFCCVEGCSA-N 2 2 294.399 -0.735 20 0 CBADLP C[N@@H+]1CC[C@H](C(=O)NCC2C[NH+](CC(=O)NC3CC3)C2)C1 ZINC001032182729 799590695 /nfs/dbraw/zinc/59/06/95/799590695.db2.gz QJBIQWNXDZJRNF-LBPRGKRZSA-N 2 2 294.399 -0.735 20 0 CBADLP C[N@H+]1CC[C@H](C(=O)NCC2C[NH+](CC(=O)NC3CC3)C2)C1 ZINC001032182729 799590701 /nfs/dbraw/zinc/59/07/01/799590701.db2.gz QJBIQWNXDZJRNF-LBPRGKRZSA-N 2 2 294.399 -0.735 20 0 CBADLP C[C@@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCn1cc[nH+]c1 ZINC001032550630 799639485 /nfs/dbraw/zinc/63/94/85/799639485.db2.gz BGWJZMWBLQVQFB-AGIUHOORSA-N 2 2 278.356 -0.061 20 0 CBADLP C[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCn1cc[nH+]c1 ZINC001032550630 799639487 /nfs/dbraw/zinc/63/94/87/799639487.db2.gz BGWJZMWBLQVQFB-AGIUHOORSA-N 2 2 278.356 -0.061 20 0 CBADLP O=C(CCn1cc[nH+]c1)N1C[C@@H]2C[C@H]1C[N@H+]2CCO ZINC001032550391 799639570 /nfs/dbraw/zinc/63/95/70/799639570.db2.gz OQINKESCHNISEI-RYUDHWBXSA-N 2 2 264.329 -0.449 20 0 CBADLP O=C(CCn1cc[nH+]c1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCO ZINC001032550391 799639571 /nfs/dbraw/zinc/63/95/71/799639571.db2.gz OQINKESCHNISEI-RYUDHWBXSA-N 2 2 264.329 -0.449 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2C[C@H]1C[N@H+]2CCO ZINC001032652419 799653450 /nfs/dbraw/zinc/65/34/50/799653450.db2.gz QRLKUKGQCGGYPC-QWRGUYRKSA-N 2 2 250.302 -0.770 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCO ZINC001032652419 799653452 /nfs/dbraw/zinc/65/34/52/799653452.db2.gz QRLKUKGQCGGYPC-QWRGUYRKSA-N 2 2 250.302 -0.770 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCO ZINC001032754452 799663646 /nfs/dbraw/zinc/66/36/46/799663646.db2.gz ICRSCLMEQHCBBG-QWRGUYRKSA-N 2 2 264.329 -0.462 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCO ZINC001032754452 799663651 /nfs/dbraw/zinc/66/36/51/799663651.db2.gz ICRSCLMEQHCBBG-QWRGUYRKSA-N 2 2 264.329 -0.462 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCCO)C1 ZINC001032792821 799670398 /nfs/dbraw/zinc/67/03/98/799670398.db2.gz NPSMMECJUYGALX-MELADBBJSA-N 2 2 297.399 -0.625 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCCO)C1 ZINC001032792821 799670402 /nfs/dbraw/zinc/67/04/02/799670402.db2.gz NPSMMECJUYGALX-MELADBBJSA-N 2 2 297.399 -0.625 20 0 CBADLP CC[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCCO)C1 ZINC001032792821 799670406 /nfs/dbraw/zinc/67/04/06/799670406.db2.gz NPSMMECJUYGALX-MELADBBJSA-N 2 2 297.399 -0.625 20 0 CBADLP CC[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCCO)C1 ZINC001032792821 799670412 /nfs/dbraw/zinc/67/04/12/799670412.db2.gz NPSMMECJUYGALX-MELADBBJSA-N 2 2 297.399 -0.625 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+]([C@@H]2CCCNC2=O)C1 ZINC001032838125 799677145 /nfs/dbraw/zinc/67/71/45/799677145.db2.gz AGORCXCDOOSVGC-JHJVBQTASA-N 2 2 294.399 -0.450 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+]([C@@H]2CCCNC2=O)C1 ZINC001032838125 799677146 /nfs/dbraw/zinc/67/71/46/799677146.db2.gz AGORCXCDOOSVGC-JHJVBQTASA-N 2 2 294.399 -0.450 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC001032838125 799677150 /nfs/dbraw/zinc/67/71/50/799677150.db2.gz AGORCXCDOOSVGC-JHJVBQTASA-N 2 2 294.399 -0.450 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC001032838125 799677151 /nfs/dbraw/zinc/67/71/51/799677151.db2.gz AGORCXCDOOSVGC-JHJVBQTASA-N 2 2 294.399 -0.450 20 0 CBADLP CN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)[C@H]1CC[N@H+](CCO)C1 ZINC001033205392 799725616 /nfs/dbraw/zinc/72/56/16/799725616.db2.gz FROIEPJVPOHKBA-OLZOCXBDSA-N 2 2 292.383 -0.030 20 0 CBADLP CN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)[C@H]1CC[N@@H+](CCO)C1 ZINC001033205392 799725617 /nfs/dbraw/zinc/72/56/17/799725617.db2.gz FROIEPJVPOHKBA-OLZOCXBDSA-N 2 2 292.383 -0.030 20 0 CBADLP CN(C(=O)C12CCC[NH+]1CCC2)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033228169 799729641 /nfs/dbraw/zinc/72/96/41/799729641.db2.gz JCURGXCUSNADQU-LBPRGKRZSA-N 2 2 294.399 -0.367 20 0 CBADLP CN(C(=O)C12CCC[NH+]1CCC2)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033228169 799729646 /nfs/dbraw/zinc/72/96/46/799729646.db2.gz JCURGXCUSNADQU-LBPRGKRZSA-N 2 2 294.399 -0.367 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001033267784 799733370 /nfs/dbraw/zinc/73/33/70/799733370.db2.gz VYPQKXSUCCXAQY-NEPJUHHUSA-N 2 2 293.371 -0.402 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001033267784 799733376 /nfs/dbraw/zinc/73/33/76/799733376.db2.gz VYPQKXSUCCXAQY-NEPJUHHUSA-N 2 2 293.371 -0.402 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N(C)[C@@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001033267785 799734511 /nfs/dbraw/zinc/73/45/11/799734511.db2.gz VYPQKXSUCCXAQY-NWDGAFQWSA-N 2 2 293.371 -0.402 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N(C)[C@@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001033267785 799734515 /nfs/dbraw/zinc/73/45/15/799734515.db2.gz VYPQKXSUCCXAQY-NWDGAFQWSA-N 2 2 293.371 -0.402 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001033420688 799751423 /nfs/dbraw/zinc/75/14/23/799751423.db2.gz RRYQDVXBIKIAAI-CHWSQXEVSA-N 2 2 296.415 -0.393 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001033420688 799751429 /nfs/dbraw/zinc/75/14/29/799751429.db2.gz RRYQDVXBIKIAAI-CHWSQXEVSA-N 2 2 296.415 -0.393 20 0 CBADLP CNC(=O)C[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001033420688 799751432 /nfs/dbraw/zinc/75/14/32/799751432.db2.gz RRYQDVXBIKIAAI-CHWSQXEVSA-N 2 2 296.415 -0.393 20 0 CBADLP CNC(=O)C[NH+]1CC[C@@H](N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001033420688 799751437 /nfs/dbraw/zinc/75/14/37/799751437.db2.gz RRYQDVXBIKIAAI-CHWSQXEVSA-N 2 2 296.415 -0.393 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001033417688 799752653 /nfs/dbraw/zinc/75/26/53/799752653.db2.gz XHCZKDIIUYYIPX-QWHCGFSZSA-N 2 2 296.415 -0.251 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001033417688 799752656 /nfs/dbraw/zinc/75/26/56/799752656.db2.gz XHCZKDIIUYYIPX-QWHCGFSZSA-N 2 2 296.415 -0.251 20 0 CBADLP CNC(=O)C[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001033417688 799752661 /nfs/dbraw/zinc/75/26/61/799752661.db2.gz XHCZKDIIUYYIPX-QWHCGFSZSA-N 2 2 296.415 -0.251 20 0 CBADLP CNC(=O)C[NH+]1CC[C@@H](N(C)C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001033417688 799752666 /nfs/dbraw/zinc/75/26/66/799752666.db2.gz XHCZKDIIUYYIPX-QWHCGFSZSA-N 2 2 296.415 -0.251 20 0 CBADLP C[C@H]1CC[N@H+](CC(=O)N(C)[C@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001033419693 799753045 /nfs/dbraw/zinc/75/30/45/799753045.db2.gz KTWMBGXEHCTBBQ-RYUDHWBXSA-N 2 2 282.388 -0.654 20 0 CBADLP C[C@H]1CC[N@@H+](CC(=O)N(C)[C@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001033419693 799753048 /nfs/dbraw/zinc/75/30/48/799753048.db2.gz KTWMBGXEHCTBBQ-RYUDHWBXSA-N 2 2 282.388 -0.654 20 0 CBADLP C[C@H]1CC[NH+](CC(=O)N(C)[C@H]2CC[N@H+](CC(N)=O)C2)C1 ZINC001033419693 799753051 /nfs/dbraw/zinc/75/30/51/799753051.db2.gz KTWMBGXEHCTBBQ-RYUDHWBXSA-N 2 2 282.388 -0.654 20 0 CBADLP C[C@H]1CC[NH+](CC(=O)N(C)[C@H]2CC[N@@H+](CC(N)=O)C2)C1 ZINC001033419693 799753055 /nfs/dbraw/zinc/75/30/55/799753055.db2.gz KTWMBGXEHCTBBQ-RYUDHWBXSA-N 2 2 282.388 -0.654 20 0 CBADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CC[N@@H+](CCO)C1 ZINC001033456686 799756570 /nfs/dbraw/zinc/75/65/70/799756570.db2.gz YBZNMZKOMAKRHN-NSHDSACASA-N 2 2 252.318 -0.523 20 0 CBADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CC[N@H+](CCO)C1 ZINC001033456686 799756565 /nfs/dbraw/zinc/75/65/65/799756565.db2.gz YBZNMZKOMAKRHN-NSHDSACASA-N 2 2 252.318 -0.523 20 0 CBADLP C[C@@H](O)C[N@@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001033592066 799768471 /nfs/dbraw/zinc/76/84/71/799768471.db2.gz XWLXHMNYDNROSA-NEPJUHHUSA-N 2 2 280.372 -0.124 20 0 CBADLP C[C@@H](O)C[N@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001033592066 799768477 /nfs/dbraw/zinc/76/84/77/799768477.db2.gz XWLXHMNYDNROSA-NEPJUHHUSA-N 2 2 280.372 -0.124 20 0 CBADLP CN(C(=O)Cc1c[nH+]cn1C)[C@@H]1CC[N@H+](CCO)C1 ZINC001033595407 799769897 /nfs/dbraw/zinc/76/98/97/799769897.db2.gz SOKFGLARXYGSEH-LLVKDONJSA-N 2 2 266.345 -0.512 20 0 CBADLP CN(C(=O)Cc1c[nH+]cn1C)[C@@H]1CC[N@@H+](CCO)C1 ZINC001033595407 799769900 /nfs/dbraw/zinc/76/99/00/799769900.db2.gz SOKFGLARXYGSEH-LLVKDONJSA-N 2 2 266.345 -0.512 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N(C)[C@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001033667669 799777851 /nfs/dbraw/zinc/77/78/51/799777851.db2.gz IYVFIXXQFCDMKF-PWSUYJOCSA-N 2 2 293.371 -0.402 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N(C)[C@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001033667669 799777855 /nfs/dbraw/zinc/77/78/55/799777855.db2.gz IYVFIXXQFCDMKF-PWSUYJOCSA-N 2 2 293.371 -0.402 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N(C)[C@@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001033667671 799778927 /nfs/dbraw/zinc/77/89/27/799778927.db2.gz IYVFIXXQFCDMKF-ZYHUDNBSSA-N 2 2 293.371 -0.402 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N(C)[C@@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001033667671 799778931 /nfs/dbraw/zinc/77/89/31/799778931.db2.gz IYVFIXXQFCDMKF-ZYHUDNBSSA-N 2 2 293.371 -0.402 20 0 CBADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](CC(N)=O)C1 ZINC001033684385 799781012 /nfs/dbraw/zinc/78/10/12/799781012.db2.gz DYVJVHDHCJNHBL-QWHCGFSZSA-N 2 2 296.415 -0.121 20 0 CBADLP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](CC(N)=O)C1 ZINC001033684385 799781016 /nfs/dbraw/zinc/78/10/16/799781016.db2.gz DYVJVHDHCJNHBL-QWHCGFSZSA-N 2 2 296.415 -0.121 20 0 CBADLP CC[NH+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001033684385 799781020 /nfs/dbraw/zinc/78/10/20/799781020.db2.gz DYVJVHDHCJNHBL-QWHCGFSZSA-N 2 2 296.415 -0.121 20 0 CBADLP CC[NH+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001033684385 799781024 /nfs/dbraw/zinc/78/10/24/799781024.db2.gz DYVJVHDHCJNHBL-QWHCGFSZSA-N 2 2 296.415 -0.121 20 0 CBADLP CCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@@H]1CC[N@H+](CCCO)C1 ZINC001033789017 799789708 /nfs/dbraw/zinc/78/97/08/799789708.db2.gz LSSSIZSXPNGZQG-ZIAGYGMSSA-N 2 2 299.415 -0.378 20 0 CBADLP CCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@@H]1CC[N@@H+](CCCO)C1 ZINC001033789017 799789712 /nfs/dbraw/zinc/78/97/12/799789712.db2.gz LSSSIZSXPNGZQG-ZIAGYGMSSA-N 2 2 299.415 -0.378 20 0 CBADLP CCN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@@H]1CC[NH+](CCCO)C1 ZINC001033789017 799789714 /nfs/dbraw/zinc/78/97/14/799789714.db2.gz LSSSIZSXPNGZQG-ZIAGYGMSSA-N 2 2 299.415 -0.378 20 0 CBADLP CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@@H]1CC[NH+](CCCO)C1 ZINC001033789017 799789717 /nfs/dbraw/zinc/78/97/17/799789717.db2.gz LSSSIZSXPNGZQG-ZIAGYGMSSA-N 2 2 299.415 -0.378 20 0 CBADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CC(N)=O)C1 ZINC001034272831 799826709 /nfs/dbraw/zinc/82/67/09/799826709.db2.gz WYOCQACAIVCHDN-STQMWFEESA-N 2 2 296.415 -0.073 20 0 CBADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CC(N)=O)C1 ZINC001034272831 799826718 /nfs/dbraw/zinc/82/67/18/799826718.db2.gz WYOCQACAIVCHDN-STQMWFEESA-N 2 2 296.415 -0.073 20 0 CBADLP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](CC(N)=O)C1 ZINC001034272831 799826727 /nfs/dbraw/zinc/82/67/27/799826727.db2.gz WYOCQACAIVCHDN-STQMWFEESA-N 2 2 296.415 -0.073 20 0 CBADLP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CC(N)=O)C1 ZINC001034272831 799826736 /nfs/dbraw/zinc/82/67/36/799826736.db2.gz WYOCQACAIVCHDN-STQMWFEESA-N 2 2 296.415 -0.073 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CCCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001034546458 799845553 /nfs/dbraw/zinc/84/55/53/799845553.db2.gz DQHXCFUBYADYBS-NWDGAFQWSA-N 2 2 293.371 -0.272 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CCCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001034546458 799845560 /nfs/dbraw/zinc/84/55/60/799845560.db2.gz DQHXCFUBYADYBS-NWDGAFQWSA-N 2 2 293.371 -0.272 20 0 CBADLP CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001034895054 799861570 /nfs/dbraw/zinc/86/15/70/799861570.db2.gz SUVGLDLCSJAEGQ-NEPJUHHUSA-N 2 2 255.362 -0.083 20 0 CBADLP CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001034895054 799861575 /nfs/dbraw/zinc/86/15/75/799861575.db2.gz SUVGLDLCSJAEGQ-NEPJUHHUSA-N 2 2 255.362 -0.083 20 0 CBADLP CCC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001035329097 799893694 /nfs/dbraw/zinc/89/36/94/799893694.db2.gz ZKLDPKIKUNACEX-CHWSQXEVSA-N 2 2 285.388 -0.456 20 0 CBADLP CCC[N@H+]1CCO[C@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001035329097 799893699 /nfs/dbraw/zinc/89/36/99/799893699.db2.gz ZKLDPKIKUNACEX-CHWSQXEVSA-N 2 2 285.388 -0.456 20 0 CBADLP CCC[NH+]1CCO[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001035329097 799893705 /nfs/dbraw/zinc/89/37/05/799893705.db2.gz ZKLDPKIKUNACEX-CHWSQXEVSA-N 2 2 285.388 -0.456 20 0 CBADLP CCC[NH+]1CCO[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001035329097 799893706 /nfs/dbraw/zinc/89/37/06/799893706.db2.gz ZKLDPKIKUNACEX-CHWSQXEVSA-N 2 2 285.388 -0.456 20 0 CBADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CCO)CCO1 ZINC001035390012 799912010 /nfs/dbraw/zinc/91/20/10/799912010.db2.gz UVHYSNPWHSCNOH-ZIAGYGMSSA-N 2 2 299.415 -0.330 20 0 CBADLP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CCO)CCO1 ZINC001035390012 799912013 /nfs/dbraw/zinc/91/20/13/799912013.db2.gz UVHYSNPWHSCNOH-ZIAGYGMSSA-N 2 2 299.415 -0.330 20 0 CBADLP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CCO)CCO1 ZINC001035390012 799912021 /nfs/dbraw/zinc/91/20/21/799912021.db2.gz UVHYSNPWHSCNOH-ZIAGYGMSSA-N 2 2 299.415 -0.330 20 0 CBADLP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CCO)CCO1 ZINC001035390012 799912024 /nfs/dbraw/zinc/91/20/24/799912024.db2.gz UVHYSNPWHSCNOH-ZIAGYGMSSA-N 2 2 299.415 -0.330 20 0 CBADLP CCC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001035407439 799915837 /nfs/dbraw/zinc/91/58/37/799915837.db2.gz KCWLUFNTMUQIQV-MGPQQGTHSA-N 2 2 299.415 -0.068 20 0 CBADLP CCC[N@H+]1CCO[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001035407439 799915841 /nfs/dbraw/zinc/91/58/41/799915841.db2.gz KCWLUFNTMUQIQV-MGPQQGTHSA-N 2 2 299.415 -0.068 20 0 CBADLP CCC[NH+]1CCO[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001035407439 799915844 /nfs/dbraw/zinc/91/58/44/799915844.db2.gz KCWLUFNTMUQIQV-MGPQQGTHSA-N 2 2 299.415 -0.068 20 0 CBADLP CCC[NH+]1CCO[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001035407439 799915851 /nfs/dbraw/zinc/91/58/51/799915851.db2.gz KCWLUFNTMUQIQV-MGPQQGTHSA-N 2 2 299.415 -0.068 20 0 CBADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[NH+](CCO)CCO1 ZINC001035607920 799951792 /nfs/dbraw/zinc/95/17/92/799951792.db2.gz BUAZKPFQNYUPFW-UONOGXRCSA-N 2 2 299.415 -0.330 20 0 CBADLP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[NH+](CCO)CCO1 ZINC001035607920 799951796 /nfs/dbraw/zinc/95/17/96/799951796.db2.gz BUAZKPFQNYUPFW-UONOGXRCSA-N 2 2 299.415 -0.330 20 0 CBADLP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1C[N@H+](CCO)CCO1 ZINC001035607920 799951801 /nfs/dbraw/zinc/95/18/01/799951801.db2.gz BUAZKPFQNYUPFW-UONOGXRCSA-N 2 2 299.415 -0.330 20 0 CBADLP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1C[N@@H+](CCO)CCO1 ZINC001035607920 799951803 /nfs/dbraw/zinc/95/18/03/799951803.db2.gz BUAZKPFQNYUPFW-UONOGXRCSA-N 2 2 299.415 -0.330 20 0 CBADLP C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[C@H]1[NH2+]CC(N)=O ZINC001036014950 799974117 /nfs/dbraw/zinc/97/41/17/799974117.db2.gz LDDUSKCPRGTNRE-GHMZBOCLSA-N 2 2 293.371 -0.346 20 0 CBADLP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[C@H]1[NH2+]CC(N)=O ZINC001036044441 799975336 /nfs/dbraw/zinc/97/53/36/799975336.db2.gz BDKVTZDPAVFDFJ-ZYHUDNBSSA-N 2 2 293.371 -0.346 20 0 CBADLP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[C@H]1[NH2+]CC(N)=O ZINC001036044441 799975342 /nfs/dbraw/zinc/97/53/42/799975342.db2.gz BDKVTZDPAVFDFJ-ZYHUDNBSSA-N 2 2 293.371 -0.346 20 0 CBADLP C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@@H]1[NH2+]CC(N)=O ZINC001036312002 799986693 /nfs/dbraw/zinc/98/66/93/799986693.db2.gz DYTDBSNGWHQWQW-QWRGUYRKSA-N 2 2 279.344 -0.805 20 0 CBADLP NC(=O)C[N@@H+]1CC[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC[C@H]21 ZINC001036851866 800010023 /nfs/dbraw/zinc/01/00/23/800010023.db2.gz SNYQSJUVPOXNRQ-WDEREUQCSA-N 2 2 291.355 -0.640 20 0 CBADLP NC(=O)C[N@H+]1CC[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC[C@H]21 ZINC001036851866 800010030 /nfs/dbraw/zinc/01/00/30/800010030.db2.gz SNYQSJUVPOXNRQ-WDEREUQCSA-N 2 2 291.355 -0.640 20 0 CBADLP CC[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@H]1[NH2+]CC(N)=O ZINC001037933017 800025329 /nfs/dbraw/zinc/02/53/29/800025329.db2.gz KEDWSCOPZVAMER-ZYHUDNBSSA-N 2 2 293.371 -0.346 20 0 CBADLP CC[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@H]1[NH2+]CC(N)=O ZINC001037999413 800028164 /nfs/dbraw/zinc/02/81/64/800028164.db2.gz XLRAJIBVWCBJKL-VXGBXAGGSA-N 2 2 293.371 -0.415 20 0 CBADLP O=C(NC[C@H]1CC[N@H+]1CCO)[C@H]1CCCc2[nH+]ccn21 ZINC001038345173 800099816 /nfs/dbraw/zinc/09/98/16/800099816.db2.gz JTDOFGOHKWSWDC-VXGBXAGGSA-N 2 2 278.356 -0.057 20 0 CBADLP O=C(NC[C@H]1CC[N@@H+]1CCO)[C@H]1CCCc2[nH+]ccn21 ZINC001038345173 800099821 /nfs/dbraw/zinc/09/98/21/800099821.db2.gz JTDOFGOHKWSWDC-VXGBXAGGSA-N 2 2 278.356 -0.057 20 0 CBADLP COCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001038397745 800106182 /nfs/dbraw/zinc/10/61/82/800106182.db2.gz CCQFNAKRBSSBOY-JHJVBQTASA-N 2 2 285.388 -0.458 20 0 CBADLP COCC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001038397745 800106187 /nfs/dbraw/zinc/10/61/87/800106187.db2.gz CCQFNAKRBSSBOY-JHJVBQTASA-N 2 2 285.388 -0.458 20 0 CBADLP COCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001038397745 800106194 /nfs/dbraw/zinc/10/61/94/800106194.db2.gz CCQFNAKRBSSBOY-JHJVBQTASA-N 2 2 285.388 -0.458 20 0 CBADLP COCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001038397745 800106201 /nfs/dbraw/zinc/10/62/01/800106201.db2.gz CCQFNAKRBSSBOY-JHJVBQTASA-N 2 2 285.388 -0.458 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CC[NH+]2CCCO)O1 ZINC001038401128 800107930 /nfs/dbraw/zinc/10/79/30/800107930.db2.gz SLVVLTPCBWDVSU-FRRDWIJNSA-N 2 2 285.388 -0.722 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CC[NH+]2CCCO)O1 ZINC001038401128 800107937 /nfs/dbraw/zinc/10/79/37/800107937.db2.gz SLVVLTPCBWDVSU-FRRDWIJNSA-N 2 2 285.388 -0.722 20 0 CBADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CC[N@@H+]2CCCO)O1 ZINC001038401128 800107944 /nfs/dbraw/zinc/10/79/44/800107944.db2.gz SLVVLTPCBWDVSU-FRRDWIJNSA-N 2 2 285.388 -0.722 20 0 CBADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CC[N@H+]2CCCO)O1 ZINC001038401128 800107949 /nfs/dbraw/zinc/10/79/49/800107949.db2.gz SLVVLTPCBWDVSU-FRRDWIJNSA-N 2 2 285.388 -0.722 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001038662156 801233327 /nfs/dbraw/zinc/23/33/27/801233327.db2.gz JMYYPZFLTLRIIR-WCQYABFASA-N 2 2 296.415 -0.347 20 0 CBADLP CNC(=O)[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001038662156 801233333 /nfs/dbraw/zinc/23/33/33/801233333.db2.gz JMYYPZFLTLRIIR-WCQYABFASA-N 2 2 296.415 -0.347 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+]1CC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001038927701 801268657 /nfs/dbraw/zinc/26/86/57/801268657.db2.gz ZNODXNPYZOPNGJ-RYUDHWBXSA-N 2 2 294.399 -0.593 20 0 CBADLP CNC(=O)[C@H](C)[N@H+]1CC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001038927701 801268658 /nfs/dbraw/zinc/26/86/58/801268658.db2.gz ZNODXNPYZOPNGJ-RYUDHWBXSA-N 2 2 294.399 -0.593 20 0 CBADLP CN(C)C(=O)C[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001039030045 801282438 /nfs/dbraw/zinc/28/24/38/801282438.db2.gz XTYRENHYBCDLMY-RYUDHWBXSA-N 2 2 282.388 -0.783 20 0 CBADLP CN(C)C(=O)C[N@H+]1CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001039030045 801282441 /nfs/dbraw/zinc/28/24/41/801282441.db2.gz XTYRENHYBCDLMY-RYUDHWBXSA-N 2 2 282.388 -0.783 20 0 CBADLP CN(C)C(=O)C[NH+]1CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001039030045 801282448 /nfs/dbraw/zinc/28/24/48/801282448.db2.gz XTYRENHYBCDLMY-RYUDHWBXSA-N 2 2 282.388 -0.783 20 0 CBADLP CN(C)C(=O)C[NH+]1CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001039030045 801282453 /nfs/dbraw/zinc/28/24/53/801282453.db2.gz XTYRENHYBCDLMY-RYUDHWBXSA-N 2 2 282.388 -0.783 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CC[NH+]2CCCO)C1 ZINC001039041439 801284975 /nfs/dbraw/zinc/28/49/75/801284975.db2.gz YKKOGKPBLFPRJH-STQMWFEESA-N 2 2 285.388 -0.720 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CC[NH+]2CCCO)C1 ZINC001039041439 801284982 /nfs/dbraw/zinc/28/49/82/801284982.db2.gz YKKOGKPBLFPRJH-STQMWFEESA-N 2 2 285.388 -0.720 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2CC[N@@H+]2CCCO)C1 ZINC001039041439 801284988 /nfs/dbraw/zinc/28/49/88/801284988.db2.gz YKKOGKPBLFPRJH-STQMWFEESA-N 2 2 285.388 -0.720 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2CC[N@H+]2CCCO)C1 ZINC001039041439 801284993 /nfs/dbraw/zinc/28/49/93/801284993.db2.gz YKKOGKPBLFPRJH-STQMWFEESA-N 2 2 285.388 -0.720 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@]2(CC[N@@H+](CCO)C2)C1 ZINC001041713306 801416397 /nfs/dbraw/zinc/41/63/97/801416397.db2.gz GRKIVGZNXBXLTR-CQSZACIVSA-N 2 2 278.356 -0.131 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@]2(CC[N@H+](CCO)C2)C1 ZINC001041713306 801416401 /nfs/dbraw/zinc/41/64/01/801416401.db2.gz GRKIVGZNXBXLTR-CQSZACIVSA-N 2 2 278.356 -0.131 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2CC[N@H+](CCO)[C@H]2C1 ZINC001042314615 801458830 /nfs/dbraw/zinc/45/88/30/801458830.db2.gz UAEQDOKRHBBBOW-OCCSQVGLSA-N 2 2 292.383 -0.122 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2CC[N@@H+](CCO)[C@H]2C1 ZINC001042314615 801458834 /nfs/dbraw/zinc/45/88/34/801458834.db2.gz UAEQDOKRHBBBOW-OCCSQVGLSA-N 2 2 292.383 -0.122 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2CC[N@@H+](CCO)[C@@H]2C1 ZINC001042385766 801460280 /nfs/dbraw/zinc/46/02/80/801460280.db2.gz WMEAOQNEDNVIIJ-CHWSQXEVSA-N 2 2 278.356 -0.202 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2CC[N@H+](CCO)[C@@H]2C1 ZINC001042385766 801460284 /nfs/dbraw/zinc/46/02/84/801460284.db2.gz WMEAOQNEDNVIIJ-CHWSQXEVSA-N 2 2 278.356 -0.202 20 0 CBADLP CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1C[NH+](C[C@@H]2CCOC2)C1 ZINC001042569435 801492374 /nfs/dbraw/zinc/49/23/74/801492374.db2.gz DVCQVZAZYINPBT-GXTWGEPZSA-N 2 2 297.399 -0.504 20 0 CBADLP CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1C[NH+](C[C@@H]2CCOC2)C1 ZINC001042569435 801492377 /nfs/dbraw/zinc/49/23/77/801492377.db2.gz DVCQVZAZYINPBT-GXTWGEPZSA-N 2 2 297.399 -0.504 20 0 CBADLP C[C@@H]1CC[N@H+](CC(=O)N(C)C2C[NH+](CCCO)C2)C1 ZINC001043878290 801599662 /nfs/dbraw/zinc/59/96/62/801599662.db2.gz YSYXVHCRHOBVHB-GFCCVEGCSA-N 2 2 269.389 -0.147 20 0 CBADLP C[C@@H]1CC[N@@H+](CC(=O)N(C)C2C[NH+](CCCO)C2)C1 ZINC001043878290 801599667 /nfs/dbraw/zinc/59/96/67/801599667.db2.gz YSYXVHCRHOBVHB-GFCCVEGCSA-N 2 2 269.389 -0.147 20 0 CBADLP C[C@H]1CCC[N@@H+]1CC(=O)N(C)C1C[NH+](CCCO)C1 ZINC001043875879 801600335 /nfs/dbraw/zinc/60/03/35/801600335.db2.gz NPCVUCFDMVRZKU-LBPRGKRZSA-N 2 2 269.389 -0.004 20 0 CBADLP C[C@H]1CCC[N@H+]1CC(=O)N(C)C1C[NH+](CCCO)C1 ZINC001043875879 801600339 /nfs/dbraw/zinc/60/03/39/801600339.db2.gz NPCVUCFDMVRZKU-LBPRGKRZSA-N 2 2 269.389 -0.004 20 0 CBADLP COCC[NH+]1CC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001043882782 801600423 /nfs/dbraw/zinc/60/04/23/801600423.db2.gz SZAXCDJAMMRRMT-YPMHNXCESA-N 2 2 269.389 -0.027 20 0 CBADLP COCC[NH+]1CC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001043882782 801600425 /nfs/dbraw/zinc/60/04/25/801600425.db2.gz SZAXCDJAMMRRMT-YPMHNXCESA-N 2 2 269.389 -0.027 20 0 CBADLP C[C@@H]1C[C@@H]([NH2+]CC(N)=O)CCN1C(=O)CCn1cc[nH+]c1 ZINC001044694149 801662687 /nfs/dbraw/zinc/66/26/87/801662687.db2.gz PBITVXMZKSCCQQ-NEPJUHHUSA-N 2 2 293.371 -0.272 20 0 CBADLP C[C@@H]1C[C@H]([NH2+]CC(N)=O)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001044801405 801670909 /nfs/dbraw/zinc/67/09/09/801670909.db2.gz XHYFWBYNUFNLOE-NXEZZACHSA-N 2 2 279.344 -0.593 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N1CCC[C@H]1C[NH2+][C@@H]1CCNC1=O ZINC001045253620 801689849 /nfs/dbraw/zinc/68/98/49/801689849.db2.gz LXBWXHTUKLWKTR-WDEREUQCSA-N 2 2 291.355 -0.579 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@]1(C)CC[NH+](CC(N)=O)C1 ZINC001046196924 801739052 /nfs/dbraw/zinc/73/90/52/801739052.db2.gz HJEIHRRAMOQEAC-GXFFZTMASA-N 2 2 268.361 -0.854 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)N[C@]1(C)CC[NH+](CC(N)=O)C1 ZINC001046196924 801739057 /nfs/dbraw/zinc/73/90/57/801739057.db2.gz HJEIHRRAMOQEAC-GXFFZTMASA-N 2 2 268.361 -0.854 20 0 CBADLP C[NH+]1CCC[C@H]1C(=O)N[C@]1(C)CC[N@H+](CC(N)=O)C1 ZINC001046196924 801739061 /nfs/dbraw/zinc/73/90/61/801739061.db2.gz HJEIHRRAMOQEAC-GXFFZTMASA-N 2 2 268.361 -0.854 20 0 CBADLP C[NH+]1CCC[C@H]1C(=O)N[C@]1(C)CC[N@@H+](CC(N)=O)C1 ZINC001046196924 801739067 /nfs/dbraw/zinc/73/90/67/801739067.db2.gz HJEIHRRAMOQEAC-GXFFZTMASA-N 2 2 268.361 -0.854 20 0 CBADLP CN(C)C(=O)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001046198452 801739258 /nfs/dbraw/zinc/73/92/58/801739258.db2.gz VKZRKXUZMXJDCP-IUODEOHRSA-N 2 2 296.415 -0.251 20 0 CBADLP CN(C)C(=O)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001046198452 801739261 /nfs/dbraw/zinc/73/92/61/801739261.db2.gz VKZRKXUZMXJDCP-IUODEOHRSA-N 2 2 296.415 -0.251 20 0 CBADLP CN(C)C(=O)C[NH+]1CC[C@@](C)(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001046198452 801739265 /nfs/dbraw/zinc/73/92/65/801739265.db2.gz VKZRKXUZMXJDCP-IUODEOHRSA-N 2 2 296.415 -0.251 20 0 CBADLP CN(C)C(=O)C[NH+]1CC[C@@](C)(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001046198452 801739268 /nfs/dbraw/zinc/73/92/68/801739268.db2.gz VKZRKXUZMXJDCP-IUODEOHRSA-N 2 2 296.415 -0.251 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCO)C2 ZINC001047150613 801809784 /nfs/dbraw/zinc/80/97/84/801809784.db2.gz QUPSETYPHQFQIT-LOWVWBTDSA-N 2 2 278.356 -0.086 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCO)C2 ZINC001047150613 801809792 /nfs/dbraw/zinc/80/97/92/801809792.db2.gz QUPSETYPHQFQIT-LOWVWBTDSA-N 2 2 278.356 -0.086 20 0 CBADLP CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001047434961 801871592 /nfs/dbraw/zinc/87/15/92/801871592.db2.gz CRSNCXHEUXMYLJ-AGIUHOORSA-N 2 2 292.383 -0.031 20 0 CBADLP CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001047434961 801871593 /nfs/dbraw/zinc/87/15/93/801871593.db2.gz CRSNCXHEUXMYLJ-AGIUHOORSA-N 2 2 292.383 -0.031 20 0 CBADLP CC(C)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001047544736 801897064 /nfs/dbraw/zinc/89/70/64/801897064.db2.gz IKQOFSPHHLJVBY-RYUDHWBXSA-N 2 2 266.345 -0.136 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[N@H+](CCCO)C[C@@H]2C1 ZINC001049248101 802008471 /nfs/dbraw/zinc/00/84/71/802008471.db2.gz MPZGKQFJOYCASJ-BETUJISGSA-N 2 2 278.356 -0.344 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[N@@H+](CCCO)C[C@@H]2C1 ZINC001049248101 802008480 /nfs/dbraw/zinc/00/84/80/802008480.db2.gz MPZGKQFJOYCASJ-BETUJISGSA-N 2 2 278.356 -0.344 20 0 CBADLP CNC(=O)C[N@H+]1C[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C1 ZINC001049248110 802008545 /nfs/dbraw/zinc/00/85/45/802008545.db2.gz MXIIYJRYFPDVQY-TXEJJXNPSA-N 2 2 291.355 -0.981 20 0 CBADLP CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C1 ZINC001049248110 802008553 /nfs/dbraw/zinc/00/85/53/802008553.db2.gz MXIIYJRYFPDVQY-TXEJJXNPSA-N 2 2 291.355 -0.981 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CC(N)=O ZINC001049367889 802017081 /nfs/dbraw/zinc/01/70/81/802017081.db2.gz BMFVLDFKZFLAGX-JHJVBQTASA-N 2 2 294.399 -0.369 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CC(N)=O ZINC001049367889 802017088 /nfs/dbraw/zinc/01/70/88/802017088.db2.gz BMFVLDFKZFLAGX-JHJVBQTASA-N 2 2 294.399 -0.369 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC(N)=O ZINC001049367889 802017096 /nfs/dbraw/zinc/01/70/96/802017096.db2.gz BMFVLDFKZFLAGX-JHJVBQTASA-N 2 2 294.399 -0.369 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC(N)=O ZINC001049367889 802017104 /nfs/dbraw/zinc/01/71/04/802017104.db2.gz BMFVLDFKZFLAGX-JHJVBQTASA-N 2 2 294.399 -0.369 20 0 CBADLP CC[C@H](C(=O)N1CCC[C@H]2C[N@H+](CC(N)=O)C[C@H]21)[NH+](C)C ZINC001050075664 802052097 /nfs/dbraw/zinc/05/20/97/802052097.db2.gz MTWSQOVFLXWURK-YNEHKIRRSA-N 2 2 296.415 -0.265 20 0 CBADLP CC[C@H](C(=O)N1CCC[C@H]2C[N@@H+](CC(N)=O)C[C@H]21)[NH+](C)C ZINC001050075664 802052106 /nfs/dbraw/zinc/05/21/06/802052106.db2.gz MTWSQOVFLXWURK-YNEHKIRRSA-N 2 2 296.415 -0.265 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CCC[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001050214590 802058305 /nfs/dbraw/zinc/05/83/05/802058305.db2.gz QSRMROFWXSQMMQ-QWHCGFSZSA-N 2 2 278.356 -0.202 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CCC[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001050214590 802058308 /nfs/dbraw/zinc/05/83/08/802058308.db2.gz QSRMROFWXSQMMQ-QWHCGFSZSA-N 2 2 278.356 -0.202 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CC2(C1)CC[NH+](CCO)CC2 ZINC001050680346 802070427 /nfs/dbraw/zinc/07/04/27/802070427.db2.gz BXDRAWGMCNEPTA-UHFFFAOYSA-N 2 2 278.356 -0.131 20 0 CBADLP CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001050988251 802102546 /nfs/dbraw/zinc/10/25/46/802102546.db2.gz ZOEZRPSCGBWXIG-HZSPNIEDSA-N 2 2 299.415 -0.068 20 0 CBADLP CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001050988251 802102553 /nfs/dbraw/zinc/10/25/53/802102553.db2.gz ZOEZRPSCGBWXIG-HZSPNIEDSA-N 2 2 299.415 -0.068 20 0 CBADLP CCC[NH+]1CCOC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001050988251 802102558 /nfs/dbraw/zinc/10/25/58/802102558.db2.gz ZOEZRPSCGBWXIG-HZSPNIEDSA-N 2 2 299.415 -0.068 20 0 CBADLP CCC[NH+]1CCOC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001050988251 802102566 /nfs/dbraw/zinc/10/25/66/802102566.db2.gz ZOEZRPSCGBWXIG-HZSPNIEDSA-N 2 2 299.415 -0.068 20 0 CBADLP CC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001051848330 802169565 /nfs/dbraw/zinc/16/95/65/802169565.db2.gz PFJRHILQKMCDJP-NSHDSACASA-N 2 2 252.318 -0.211 20 0 CBADLP CC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CCO1 ZINC001051903707 802171043 /nfs/dbraw/zinc/17/10/43/802171043.db2.gz UXVDULXFTAVBER-LBPRGKRZSA-N 2 2 266.345 -0.201 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CCC[N@@H+](CCO)CC1 ZINC001052970682 802226639 /nfs/dbraw/zinc/22/66/39/802226639.db2.gz TYAKJSPMAFPUAB-GFCCVEGCSA-N 2 2 266.345 -0.154 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CCC[N@H+](CCO)CC1 ZINC001052970682 802226650 /nfs/dbraw/zinc/22/66/50/802226650.db2.gz TYAKJSPMAFPUAB-GFCCVEGCSA-N 2 2 266.345 -0.154 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC2(C[NH+](CCO)C2)O1 ZINC001053583276 802269947 /nfs/dbraw/zinc/26/99/47/802269947.db2.gz WXFCUVODKAQPJX-CHWSQXEVSA-N 2 2 297.399 -0.578 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC2(C[NH+](CCO)C2)O1 ZINC001053583276 802269950 /nfs/dbraw/zinc/26/99/50/802269950.db2.gz WXFCUVODKAQPJX-CHWSQXEVSA-N 2 2 297.399 -0.578 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1COC2(C[NH+](CCCO)C2)C1 ZINC001053756455 802286382 /nfs/dbraw/zinc/28/63/82/802286382.db2.gz XFGGLBBPDWNTDT-CHWSQXEVSA-N 2 2 297.399 -0.578 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1COC2(C[NH+](CCCO)C2)C1 ZINC001053756455 802286388 /nfs/dbraw/zinc/28/63/88/802286388.db2.gz XFGGLBBPDWNTDT-CHWSQXEVSA-N 2 2 297.399 -0.578 20 0 CBADLP O=C(N[C@@H]1COC2(C[NH+](CCO)C2)C1)C12CC[NH+](CC1)C2 ZINC001053983793 802320735 /nfs/dbraw/zinc/32/07/35/802320735.db2.gz KCWGNWPWGUUWPW-LBPRGKRZSA-N 2 2 295.383 -0.966 20 0 CBADLP O=C(N[C@H]1COC2(C[NH+](CCO)C2)C1)C12CC[NH+](CC1)C2 ZINC001053983792 802321551 /nfs/dbraw/zinc/32/15/51/802321551.db2.gz KCWGNWPWGUUWPW-GFCCVEGCSA-N 2 2 295.383 -0.966 20 0 CBADLP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1[NH2+]CC(N)=O ZINC001054726951 802367125 /nfs/dbraw/zinc/36/71/25/802367125.db2.gz YVXONQKDFRRTAR-KOLCDFICSA-N 2 2 279.344 -0.736 20 0 CBADLP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1[NH2+]CC(N)=O ZINC001054726951 802367131 /nfs/dbraw/zinc/36/71/31/802367131.db2.gz YVXONQKDFRRTAR-KOLCDFICSA-N 2 2 279.344 -0.736 20 0 CBADLP C[C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1[NH2+]CC(N)=O ZINC001054952370 802380979 /nfs/dbraw/zinc/38/09/79/802380979.db2.gz SHLQCWMFLQTRBB-WDEREUQCSA-N 2 2 279.344 -0.805 20 0 CBADLP CC(=O)NCC[NH+]1CCC(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001055486271 802398823 /nfs/dbraw/zinc/39/88/23/802398823.db2.gz CGMCKDBJIJLBCZ-UHFFFAOYSA-N 2 2 293.371 -0.400 20 0 CBADLP Cc1[nH+]ccn1CC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001118146488 812479049 /nfs/dbraw/zinc/47/90/49/812479049.db2.gz AFXFKIVEUIENAH-AWEZNQCLSA-N 3 2 281.404 -0.611 20 0 CBADLP CCC[N@H+](C)CC(=O)NCC[NH2+]Cc1nnnn1C(C)C ZINC001148638788 814954756 /nfs/dbraw/zinc/95/47/56/814954756.db2.gz RNDBGSUVQWUHTR-UHFFFAOYSA-N 2 2 297.407 -0.198 20 0 CBADLP CCC[N@@H+](C)CC(=O)NCC[NH2+]Cc1nnnn1C(C)C ZINC001148638788 814954757 /nfs/dbraw/zinc/95/47/57/814954757.db2.gz RNDBGSUVQWUHTR-UHFFFAOYSA-N 2 2 297.407 -0.198 20 0 CBADLP C[C@H](C[NH2+]CCCO)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001321559473 803784318 /nfs/dbraw/zinc/78/43/18/803784318.db2.gz FSGRZJLOLRUWBE-VXGBXAGGSA-N 2 2 280.372 -0.078 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001149124555 814970933 /nfs/dbraw/zinc/97/09/33/814970933.db2.gz UPAKYRIJJMDIPU-VIFPVBQESA-N 2 2 267.333 -0.899 20 0 CBADLP CC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001149122835 814971923 /nfs/dbraw/zinc/97/19/23/814971923.db2.gz CIBZVKGJHDMUMT-SNVBAGLBSA-N 2 2 295.387 -0.119 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+][C@H](C)C(=O)NC1CC1 ZINC001149135076 814972876 /nfs/dbraw/zinc/97/28/76/814972876.db2.gz PAWOZWDNTSOKIO-SNVBAGLBSA-N 2 2 293.371 -0.366 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC001322434177 803895667 /nfs/dbraw/zinc/89/56/67/803895667.db2.gz IAXSLOQXPVULSB-CYBMUJFWSA-N 2 2 266.345 -0.465 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC001322434177 803895674 /nfs/dbraw/zinc/89/56/74/803895674.db2.gz IAXSLOQXPVULSB-CYBMUJFWSA-N 2 2 266.345 -0.465 20 0 CBADLP Cn1cncc1C[NH2+]CCNC(=O)CCc1c[nH+]cn1C ZINC001149553272 814999934 /nfs/dbraw/zinc/99/99/34/814999934.db2.gz JBOGACVWNAOYOA-UHFFFAOYSA-N 2 2 290.371 -0.008 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)NCC[NH2+]CCCO ZINC001149571049 815000863 /nfs/dbraw/zinc/00/08/63/815000863.db2.gz MZEXMGIKCBZCLI-UHFFFAOYSA-N 2 2 254.334 -0.559 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)NCC[NH2+]CCn1cccn1 ZINC001149571189 815001021 /nfs/dbraw/zinc/00/10/21/815001021.db2.gz SQPFIDAEFCDIAL-UHFFFAOYSA-N 2 2 290.371 -0.045 20 0 CBADLP CC[NH+]1CC(O)(CNC(=O)CCCC[NH+](C)C)C1 ZINC001325297089 804272267 /nfs/dbraw/zinc/27/22/67/804272267.db2.gz FAKWYEGRKXWZGA-UHFFFAOYSA-N 2 2 257.378 -0.099 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NCC1(O)C[NH+](C(C)C)C1 ZINC001325317433 804277444 /nfs/dbraw/zinc/27/74/44/804277444.db2.gz AQHPTMYHPQZIJT-UHFFFAOYSA-N 2 2 257.378 -0.102 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1C[N@H+](CCCO)CCCO1 ZINC001150823996 815045072 /nfs/dbraw/zinc/04/50/72/815045072.db2.gz DXFHMNXZGNQPQA-CYBMUJFWSA-N 2 2 296.371 -0.527 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1C[N@@H+](CCCO)CCCO1 ZINC001150823996 815045080 /nfs/dbraw/zinc/04/50/80/815045080.db2.gz DXFHMNXZGNQPQA-CYBMUJFWSA-N 2 2 296.371 -0.527 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1C[N@H+](CCO)CCCO1 ZINC001150823871 815045581 /nfs/dbraw/zinc/04/55/81/815045581.db2.gz AUSYEDPRYWDZKX-GFCCVEGCSA-N 2 2 282.344 -0.918 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1C[N@@H+](CCO)CCCO1 ZINC001150823871 815045586 /nfs/dbraw/zinc/04/55/86/815045586.db2.gz AUSYEDPRYWDZKX-GFCCVEGCSA-N 2 2 282.344 -0.918 20 0 CBADLP Cc1ccnc(C[NH2+]CCNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001151049323 815052670 /nfs/dbraw/zinc/05/26/70/815052670.db2.gz LYCGHSAPRHKMRJ-LBPRGKRZSA-N 2 2 277.372 -0.057 20 0 CBADLP Cc1ccnc(C[NH2+]CCNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001151049323 815052675 /nfs/dbraw/zinc/05/26/75/815052675.db2.gz LYCGHSAPRHKMRJ-LBPRGKRZSA-N 2 2 277.372 -0.057 20 0 CBADLP COCc1noc(C[NH2+]CCNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001151049769 815055746 /nfs/dbraw/zinc/05/57/46/815055746.db2.gz YNCVNDLSKAAZKN-SNVBAGLBSA-N 2 2 297.359 -0.627 20 0 CBADLP COCc1noc(C[NH2+]CCNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001151049769 815055751 /nfs/dbraw/zinc/05/57/51/815055751.db2.gz YNCVNDLSKAAZKN-SNVBAGLBSA-N 2 2 297.359 -0.627 20 0 CBADLP CC(C)n1nnnc1C[NH2+]CCNC(=O)C[NH+]1CCCC1 ZINC001151115573 815062114 /nfs/dbraw/zinc/06/21/14/815062114.db2.gz YKBUZNVSABGXKK-UHFFFAOYSA-N 2 2 295.391 -0.444 20 0 CBADLP C[C@@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C[N@@H+]1CCO ZINC001072123859 805287448 /nfs/dbraw/zinc/28/74/48/805287448.db2.gz VCGFJXUZBDMDIP-NEPJUHHUSA-N 2 2 266.345 -0.156 20 0 CBADLP C[C@@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C[N@H+]1CCO ZINC001072123859 805287453 /nfs/dbraw/zinc/28/74/53/805287453.db2.gz VCGFJXUZBDMDIP-NEPJUHHUSA-N 2 2 266.345 -0.156 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]Cc1cnon1 ZINC001151156656 815065884 /nfs/dbraw/zinc/06/58/84/815065884.db2.gz FZUHTZIFZILJHU-LLVKDONJSA-N 2 2 297.359 -0.756 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CC2(C1)CC[N@H+](CCO)C2 ZINC001073151609 805361592 /nfs/dbraw/zinc/36/15/92/805361592.db2.gz UVCPFILXHZBNAD-UHFFFAOYSA-N 2 2 278.356 -0.213 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CC2(C1)CC[N@@H+](CCO)C2 ZINC001073151609 805361605 /nfs/dbraw/zinc/36/16/05/805361605.db2.gz UVCPFILXHZBNAD-UHFFFAOYSA-N 2 2 278.356 -0.213 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CCC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001073483827 805374073 /nfs/dbraw/zinc/37/40/73/805374073.db2.gz OUTFAWGUBZUTIA-LLVKDONJSA-N 2 2 291.355 -0.709 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001073483827 805374081 /nfs/dbraw/zinc/37/40/81/805374081.db2.gz OUTFAWGUBZUTIA-LLVKDONJSA-N 2 2 291.355 -0.709 20 0 CBADLP C[C@@H]([NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@H]1C)C(N)=O ZINC001074781436 805471360 /nfs/dbraw/zinc/47/13/60/805471360.db2.gz LGVQWFLJQPVJER-WOPDTQHZSA-N 2 2 293.371 -0.274 20 0 CBADLP CC[C@H]([NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H]1C)C(N)=O ZINC001074918427 805477360 /nfs/dbraw/zinc/47/73/60/805477360.db2.gz PZEVSQWECBLWCJ-DLOVCJGASA-N 2 2 293.371 -0.205 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH+](CCCO)C[C@H]32)C1 ZINC001075643578 805520152 /nfs/dbraw/zinc/52/01/52/805520152.db2.gz CZXSOUXQEUWWMH-MJBXVCDLSA-N 2 2 297.399 -0.768 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH+](CCCO)C[C@H]32)C1 ZINC001075643578 805520159 /nfs/dbraw/zinc/52/01/59/805520159.db2.gz CZXSOUXQEUWWMH-MJBXVCDLSA-N 2 2 297.399 -0.768 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N2CC[C@H]3C[N@H+](CCCO)C[C@H]32)C1 ZINC001075643578 805520165 /nfs/dbraw/zinc/52/01/65/805520165.db2.gz CZXSOUXQEUWWMH-MJBXVCDLSA-N 2 2 297.399 -0.768 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N2CC[C@H]3C[N@@H+](CCCO)C[C@H]32)C1 ZINC001075643578 805520173 /nfs/dbraw/zinc/52/01/73/805520173.db2.gz CZXSOUXQEUWWMH-MJBXVCDLSA-N 2 2 297.399 -0.768 20 0 CBADLP C[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001076295632 805566444 /nfs/dbraw/zinc/56/64/44/805566444.db2.gz PQADHDSYHXTWME-GMXVVIOVSA-N 2 2 278.356 -0.134 20 0 CBADLP C[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001076295632 805566450 /nfs/dbraw/zinc/56/64/50/805566450.db2.gz PQADHDSYHXTWME-GMXVVIOVSA-N 2 2 278.356 -0.134 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2nccn2C)C1 ZINC001151749089 815090423 /nfs/dbraw/zinc/09/04/23/815090423.db2.gz OASVCEJENZECFF-GFCCVEGCSA-N 2 2 295.387 -0.653 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2nccn2C)C1 ZINC001151749089 815090430 /nfs/dbraw/zinc/09/04/30/815090430.db2.gz OASVCEJENZECFF-GFCCVEGCSA-N 2 2 295.387 -0.653 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2ncc(C)o2)C1 ZINC001151748928 815090730 /nfs/dbraw/zinc/09/07/30/815090730.db2.gz MHFRECBHJYKZJP-LBPRGKRZSA-N 2 2 296.371 -0.090 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2ncc(C)o2)C1 ZINC001151748928 815090736 /nfs/dbraw/zinc/09/07/36/815090736.db2.gz MHFRECBHJYKZJP-LBPRGKRZSA-N 2 2 296.371 -0.090 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2ncccn2)C1 ZINC001151749398 815092048 /nfs/dbraw/zinc/09/20/48/815092048.db2.gz XFLZPXHGAYNEDI-GFCCVEGCSA-N 2 2 293.371 -0.597 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2ncccn2)C1 ZINC001151749398 815092054 /nfs/dbraw/zinc/09/20/54/815092054.db2.gz XFLZPXHGAYNEDI-GFCCVEGCSA-N 2 2 293.371 -0.597 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2cc(C)on2)C1 ZINC001151749162 815092465 /nfs/dbraw/zinc/09/24/65/815092465.db2.gz PZYKALFVWQYIFD-ZDUSSCGKSA-N 2 2 296.371 -0.090 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2cc(C)on2)C1 ZINC001151749162 815092472 /nfs/dbraw/zinc/09/24/72/815092472.db2.gz PZYKALFVWQYIFD-ZDUSSCGKSA-N 2 2 296.371 -0.090 20 0 CBADLP C[C@@H](O)C[NH2+]CCNC(=O)[C@H](C1CC1)[NH+]1CCOCC1 ZINC001151814518 815095285 /nfs/dbraw/zinc/09/52/85/815095285.db2.gz HQLQEUOCZMDBBY-YPMHNXCESA-N 2 2 285.388 -0.816 20 0 CBADLP COCCC[NH2+]CCNC(=O)[C@H](C1CC1)[NH+]1CCOCC1 ZINC001151813917 815095535 /nfs/dbraw/zinc/09/55/35/815095535.db2.gz BLPCQKIISIZXGB-AWEZNQCLSA-N 2 2 299.415 -0.161 20 0 CBADLP O=C(CCCn1cc[nH+]c1)NCC[NH2+]CC(=O)NC1CC1 ZINC001153345493 815159746 /nfs/dbraw/zinc/15/97/46/815159746.db2.gz XFXPVLLQDFNLOT-UHFFFAOYSA-N 2 2 293.371 -0.352 20 0 CBADLP CCN(CC)C(=O)C[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153487528 815163126 /nfs/dbraw/zinc/16/31/26/815163126.db2.gz CCJJFDYRNCGRHH-UHFFFAOYSA-N 2 2 281.360 -0.543 20 0 CBADLP CCn1nnc(C)c1C[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153487742 815163309 /nfs/dbraw/zinc/16/33/09/815163309.db2.gz LNWMFUMWZBZQAU-UHFFFAOYSA-N 2 2 291.359 -0.291 20 0 CBADLP COCCOCC[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153496156 815164089 /nfs/dbraw/zinc/16/40/89/815164089.db2.gz TXSVBWVGAKEOGJ-UHFFFAOYSA-N 2 2 270.333 -0.748 20 0 CBADLP O=C(Cn1cc[nH+]c1)NCC[NH2+]CCOC[C@@H]1CCCO1 ZINC001153500123 815164159 /nfs/dbraw/zinc/16/41/59/815164159.db2.gz FTXRXACYDNIRFT-ZDUSSCGKSA-N 2 2 296.371 -0.216 20 0 CBADLP CS(=O)(=O)CCC[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153500609 815164881 /nfs/dbraw/zinc/16/48/81/815164881.db2.gz QYVVJECGLDNCAH-UHFFFAOYSA-N 2 2 288.373 -0.976 20 0 CBADLP COC(=O)[C@H]([NH3+])C1CCN(c2ncnc3c2C[NH2+]C3)CC1 ZINC001155153800 815267247 /nfs/dbraw/zinc/26/72/47/815267247.db2.gz RQYVLEHKMXMTBY-GFCCVEGCSA-N 2 2 291.355 -0.204 20 0 CBADLP C[N@@H+]1CCO[C@@H](CNc2ccc(N3CC[NH2+]CC3)nn2)C1 ZINC001155194843 815268459 /nfs/dbraw/zinc/26/84/59/815268459.db2.gz VPAAAISYBMZIJD-LBPRGKRZSA-N 2 2 292.387 -0.371 20 0 CBADLP C[N@H+]1CCO[C@@H](CNc2ccc(N3CC[NH2+]CC3)nn2)C1 ZINC001155194843 815268462 /nfs/dbraw/zinc/26/84/62/815268462.db2.gz VPAAAISYBMZIJD-LBPRGKRZSA-N 2 2 292.387 -0.371 20 0 CBADLP CC[N@H+](CCOCCO)[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001156011403 815329445 /nfs/dbraw/zinc/32/94/45/815329445.db2.gz BPAJAWCPSMHUKB-GFCCVEGCSA-N 2 2 298.387 -0.212 20 0 CBADLP CC[N@@H+](CCOCCO)[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001156011403 815329451 /nfs/dbraw/zinc/32/94/51/815329451.db2.gz BPAJAWCPSMHUKB-GFCCVEGCSA-N 2 2 298.387 -0.212 20 0 CBADLP Cc1nnc(C[NH2+]CCCNC(=O)[C@@H]2C[N@H+](C)CCO2)o1 ZINC001156145122 815340595 /nfs/dbraw/zinc/34/05/95/815340595.db2.gz IEJXBKKDOMOKLI-NSHDSACASA-N 2 2 297.359 -0.695 20 0 CBADLP Cc1nnc(C[NH2+]CCCNC(=O)[C@@H]2C[N@@H+](C)CCO2)o1 ZINC001156145122 815340603 /nfs/dbraw/zinc/34/06/03/815340603.db2.gz IEJXBKKDOMOKLI-NSHDSACASA-N 2 2 297.359 -0.695 20 0 CBADLP Cc1cc(C[NH2+]CCCNC(=O)[C@H]2C[N@H+](C)CCO2)no1 ZINC001156145085 815340950 /nfs/dbraw/zinc/34/09/50/815340950.db2.gz HVXGMVWYOPRXQD-CYBMUJFWSA-N 2 2 296.371 -0.090 20 0 CBADLP Cc1cc(C[NH2+]CCCNC(=O)[C@H]2C[N@@H+](C)CCO2)no1 ZINC001156145085 815340954 /nfs/dbraw/zinc/34/09/54/815340954.db2.gz HVXGMVWYOPRXQD-CYBMUJFWSA-N 2 2 296.371 -0.090 20 0 CBADLP CN(c1cc(-n2cc[nH+]c2)ccn1)S(=O)(=O)CC[NH3+] ZINC001156240905 815350923 /nfs/dbraw/zinc/35/09/23/815350923.db2.gz ZEHXBLYHCJJZJZ-UHFFFAOYSA-N 2 2 281.341 -0.008 20 0 CBADLP O=C(NC[C@H]1C[C@H]([NH2+]CCO)C1)[C@H]1CCn2cc[nH+]c2C1 ZINC001086406849 810268511 /nfs/dbraw/zinc/26/85/11/810268511.db2.gz PHPIIFSDQGLBHJ-AVGNSLFASA-N 2 2 292.383 -0.078 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC[N@@H+]1CC(=O)N(C)C ZINC001088494977 810335384 /nfs/dbraw/zinc/33/53/84/810335384.db2.gz WBEYBXNGPMTUGK-FRRDWIJNSA-N 2 2 296.415 -0.252 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC[N@H+]1CC(=O)N(C)C ZINC001088494977 810335392 /nfs/dbraw/zinc/33/53/92/810335392.db2.gz WBEYBXNGPMTUGK-FRRDWIJNSA-N 2 2 296.415 -0.252 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC[NH+]1CC(=O)N(C)C ZINC001088494977 810335399 /nfs/dbraw/zinc/33/53/99/810335399.db2.gz WBEYBXNGPMTUGK-FRRDWIJNSA-N 2 2 296.415 -0.252 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CC[NH+]1CC(=O)N(C)C ZINC001088494977 810335404 /nfs/dbraw/zinc/33/54/04/810335404.db2.gz WBEYBXNGPMTUGK-FRRDWIJNSA-N 2 2 296.415 -0.252 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)CC[N@@H+]1CCO ZINC001088687911 810350914 /nfs/dbraw/zinc/35/09/14/810350914.db2.gz YEAWKHMAFIMSJX-PWSUYJOCSA-N 2 2 296.371 -0.079 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)CC[N@H+]1CCO ZINC001088687911 810350923 /nfs/dbraw/zinc/35/09/23/810350923.db2.gz YEAWKHMAFIMSJX-PWSUYJOCSA-N 2 2 296.371 -0.079 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@H]1C ZINC001088666935 810351274 /nfs/dbraw/zinc/35/12/74/810351274.db2.gz VDSKHDMKGBVCLI-AGIUHOORSA-N 2 2 296.415 -0.204 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@H]1C ZINC001088666935 810351278 /nfs/dbraw/zinc/35/12/78/810351278.db2.gz VDSKHDMKGBVCLI-AGIUHOORSA-N 2 2 296.415 -0.204 20 0 CBADLP CNC(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)[C@H]1C ZINC001088666935 810351287 /nfs/dbraw/zinc/35/12/87/810351287.db2.gz VDSKHDMKGBVCLI-AGIUHOORSA-N 2 2 296.415 -0.204 20 0 CBADLP CNC(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)[C@H]1C ZINC001088666935 810351295 /nfs/dbraw/zinc/35/12/95/810351295.db2.gz VDSKHDMKGBVCLI-AGIUHOORSA-N 2 2 296.415 -0.204 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC[N@@H+]1CC(N)=O ZINC001088666414 810352010 /nfs/dbraw/zinc/35/20/10/810352010.db2.gz GWNZQFASUQFRKS-GRYCIOLGSA-N 2 2 282.388 -0.465 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC[N@H+]1CC(N)=O ZINC001088666414 810352015 /nfs/dbraw/zinc/35/20/15/810352015.db2.gz GWNZQFASUQFRKS-GRYCIOLGSA-N 2 2 282.388 -0.465 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC[NH+]1CC(N)=O ZINC001088666414 810352021 /nfs/dbraw/zinc/35/20/21/810352021.db2.gz GWNZQFASUQFRKS-GRYCIOLGSA-N 2 2 282.388 -0.465 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC[NH+]1CC(N)=O ZINC001088666414 810352029 /nfs/dbraw/zinc/35/20/29/810352029.db2.gz GWNZQFASUQFRKS-GRYCIOLGSA-N 2 2 282.388 -0.465 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@H]1C ZINC001088859361 810362692 /nfs/dbraw/zinc/36/26/92/810362692.db2.gz ACYKKZCSBXGFIT-XQQFMLRXSA-N 2 2 296.415 -0.347 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@H]1C ZINC001088859361 810362697 /nfs/dbraw/zinc/36/26/97/810362697.db2.gz ACYKKZCSBXGFIT-XQQFMLRXSA-N 2 2 296.415 -0.347 20 0 CBADLP CNC(=O)C[NH+]1CC[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)[C@H]1C ZINC001088859361 810362705 /nfs/dbraw/zinc/36/27/05/810362705.db2.gz ACYKKZCSBXGFIT-XQQFMLRXSA-N 2 2 296.415 -0.347 20 0 CBADLP CNC(=O)C[NH+]1CC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)[C@H]1C ZINC001088859361 810362713 /nfs/dbraw/zinc/36/27/13/810362713.db2.gz ACYKKZCSBXGFIT-XQQFMLRXSA-N 2 2 296.415 -0.347 20 0 CBADLP C[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC001088981989 810372131 /nfs/dbraw/zinc/37/21/31/810372131.db2.gz YBDMEQWWPDVNMX-WZRBSPASSA-N 2 2 280.372 -0.078 20 0 CBADLP C[C@@H](O)C[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC001088981989 810372136 /nfs/dbraw/zinc/37/21/36/810372136.db2.gz YBDMEQWWPDVNMX-WZRBSPASSA-N 2 2 280.372 -0.078 20 0 CBADLP N=c1cc(C[NH3+])ncn1-c1nc(Cl)nc2c1CC[NH2+]C2 ZINC001156619842 815368635 /nfs/dbraw/zinc/36/86/35/815368635.db2.gz GZSWNCRPURNLDP-UHFFFAOYSA-N 2 2 291.746 -0.100 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CC[N@@H+](CC2CC2)C[C@@H]1O ZINC001090675162 810547039 /nfs/dbraw/zinc/54/70/39/810547039.db2.gz GMWPLFHUTHELCF-RYUDHWBXSA-N 2 2 278.356 -0.086 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CC[N@H+](CC2CC2)C[C@@H]1O ZINC001090675162 810547046 /nfs/dbraw/zinc/54/70/46/810547046.db2.gz GMWPLFHUTHELCF-RYUDHWBXSA-N 2 2 278.356 -0.086 20 0 CBADLP CC(C)[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H](O)C1 ZINC001090727198 810557195 /nfs/dbraw/zinc/55/71/95/810557195.db2.gz IIHNHXALOQTIDD-QWHCGFSZSA-N 2 2 280.372 -0.078 20 0 CBADLP CC(C)[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H](O)C1 ZINC001090727198 810557201 /nfs/dbraw/zinc/55/72/01/810557201.db2.gz IIHNHXALOQTIDD-QWHCGFSZSA-N 2 2 280.372 -0.078 20 0 CBADLP CC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](O)C1 ZINC001090763158 810562010 /nfs/dbraw/zinc/56/20/10/810562010.db2.gz DYVYASWMTLHORU-PWSUYJOCSA-N 2 2 266.345 -0.168 20 0 CBADLP CC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](O)C1 ZINC001090763158 810562019 /nfs/dbraw/zinc/56/20/19/810562019.db2.gz DYVYASWMTLHORU-PWSUYJOCSA-N 2 2 266.345 -0.168 20 0 CBADLP COCC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001090847466 810574510 /nfs/dbraw/zinc/57/45/10/810574510.db2.gz VOPIHCGRULNXRF-NEPJUHHUSA-N 2 2 282.344 -0.919 20 0 CBADLP COCC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001090847466 810574513 /nfs/dbraw/zinc/57/45/13/810574513.db2.gz VOPIHCGRULNXRF-NEPJUHHUSA-N 2 2 282.344 -0.919 20 0 CBADLP CC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001090851122 810575022 /nfs/dbraw/zinc/57/50/22/810575022.db2.gz ZESNCAWSTSWROL-MNOVXSKESA-N 2 2 252.318 -0.546 20 0 CBADLP CC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001090851122 810575027 /nfs/dbraw/zinc/57/50/27/810575027.db2.gz ZESNCAWSTSWROL-MNOVXSKESA-N 2 2 252.318 -0.546 20 0 CBADLP CCC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](O)C1 ZINC001090848809 810575823 /nfs/dbraw/zinc/57/58/23/810575823.db2.gz JAHRDFNIEQOGOZ-VXGBXAGGSA-N 2 2 266.345 -0.156 20 0 CBADLP CCC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](O)C1 ZINC001090848809 810575827 /nfs/dbraw/zinc/57/58/27/810575827.db2.gz JAHRDFNIEQOGOZ-VXGBXAGGSA-N 2 2 266.345 -0.156 20 0 CBADLP O=C(NCC1CC([NH2+]CCO)C1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001091106441 810592709 /nfs/dbraw/zinc/59/27/09/810592709.db2.gz PHPIIFSDQGLBHJ-OTTFEQOBSA-N 2 2 292.383 -0.078 20 0 CBADLP O=C(NCC1CC([NH2+]CCO)C1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001091106838 810592739 /nfs/dbraw/zinc/59/27/39/810592739.db2.gz WCAAVFHHNOUYCN-OTTFEQOBSA-N 2 2 292.383 -0.078 20 0 CBADLP C[C@]12CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]1C[N@H+](CCO)C2 ZINC001092050602 810621257 /nfs/dbraw/zinc/62/12/57/810621257.db2.gz ZDOHDDYMIKXJMP-RISCZKNCSA-N 2 2 278.356 -0.275 20 0 CBADLP C[C@]12CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]1C[N@@H+](CCO)C2 ZINC001092050602 810621262 /nfs/dbraw/zinc/62/12/62/810621262.db2.gz ZDOHDDYMIKXJMP-RISCZKNCSA-N 2 2 278.356 -0.275 20 0 CBADLP Cc1nc(N(C)C)nc(NCCNC(=O)CC[NH+](C)C)[nH+]1 ZINC001094089982 810698008 /nfs/dbraw/zinc/69/80/08/810698008.db2.gz RJSAAZQQZONMTR-UHFFFAOYSA-N 2 2 295.391 -0.274 20 0 CBADLP CC[NH+]1CC(n2cc(CNC(=O)[C@H]3CCC[N@@H+]3C)nn2)C1 ZINC001094278419 810708998 /nfs/dbraw/zinc/70/89/98/810708998.db2.gz GURVQGPUMPTBOX-CYBMUJFWSA-N 2 2 292.387 -0.135 20 0 CBADLP CC[NH+]1CC(n2cc(CNC(=O)[C@H]3CCC[N@H+]3C)nn2)C1 ZINC001094278419 810709008 /nfs/dbraw/zinc/70/90/08/810709008.db2.gz GURVQGPUMPTBOX-CYBMUJFWSA-N 2 2 292.387 -0.135 20 0 CBADLP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(N)=O)CC[N@@H+]1C ZINC001095438886 810751259 /nfs/dbraw/zinc/75/12/59/810751259.db2.gz PGCNEQIHCRYAFM-KVSVUVNWSA-N 2 2 294.399 -0.467 20 0 CBADLP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(N)=O)CC[N@H+]1C ZINC001095438886 810751262 /nfs/dbraw/zinc/75/12/62/810751262.db2.gz PGCNEQIHCRYAFM-KVSVUVNWSA-N 2 2 294.399 -0.467 20 0 CBADLP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(N)=O)CC[NH+]1C ZINC001095438886 810751268 /nfs/dbraw/zinc/75/12/68/810751268.db2.gz PGCNEQIHCRYAFM-KVSVUVNWSA-N 2 2 294.399 -0.467 20 0 CBADLP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(N)=O)CC[NH+]1C ZINC001095438886 810751274 /nfs/dbraw/zinc/75/12/74/810751274.db2.gz PGCNEQIHCRYAFM-KVSVUVNWSA-N 2 2 294.399 -0.467 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O ZINC001095768891 810760619 /nfs/dbraw/zinc/76/06/19/810760619.db2.gz MICCLQVZVGBWEU-WOPDTQHZSA-N 2 2 291.355 -0.602 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O ZINC001095768891 810760627 /nfs/dbraw/zinc/76/06/27/810760627.db2.gz MICCLQVZVGBWEU-WOPDTQHZSA-N 2 2 291.355 -0.602 20 0 CBADLP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(N)=O)C1 ZINC001096015578 810765963 /nfs/dbraw/zinc/76/59/63/810765963.db2.gz LCNMOOCNSLTSFK-NDBYEHHHSA-N 2 2 294.399 -0.465 20 0 CBADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(N)=O)C1 ZINC001096015578 810765968 /nfs/dbraw/zinc/76/59/68/810765968.db2.gz LCNMOOCNSLTSFK-NDBYEHHHSA-N 2 2 294.399 -0.465 20 0 CBADLP C[C@@H]1CC[NH+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(N)=O)C1 ZINC001096015578 810765977 /nfs/dbraw/zinc/76/59/77/810765977.db2.gz LCNMOOCNSLTSFK-NDBYEHHHSA-N 2 2 294.399 -0.465 20 0 CBADLP C[C@@H]1CC[NH+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(N)=O)C1 ZINC001096015578 810765985 /nfs/dbraw/zinc/76/59/85/810765985.db2.gz LCNMOOCNSLTSFK-NDBYEHHHSA-N 2 2 294.399 -0.465 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001096545652 810780025 /nfs/dbraw/zinc/78/00/25/810780025.db2.gz JNBNTGHKGQHINU-NDBYEHHHSA-N 2 2 294.399 -0.323 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001096545652 810780031 /nfs/dbraw/zinc/78/00/31/810780031.db2.gz JNBNTGHKGQHINU-NDBYEHHHSA-N 2 2 294.399 -0.323 20 0 CBADLP C[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1)C2 ZINC001096655582 810782268 /nfs/dbraw/zinc/78/22/68/810782268.db2.gz XMWVYBLMJLOPEW-RNJOBUHISA-N 2 2 278.356 -0.015 20 0 CBADLP C[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1)C2 ZINC001096655582 810782272 /nfs/dbraw/zinc/78/22/72/810782272.db2.gz XMWVYBLMJLOPEW-RNJOBUHISA-N 2 2 278.356 -0.015 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCO ZINC001096655062 810783731 /nfs/dbraw/zinc/78/37/31/810783731.db2.gz HZNYPNSSFGJAKN-AGIUHOORSA-N 2 2 278.356 -0.013 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCO ZINC001096655062 810783734 /nfs/dbraw/zinc/78/37/34/810783734.db2.gz HZNYPNSSFGJAKN-AGIUHOORSA-N 2 2 278.356 -0.013 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCO)C1 ZINC001096914532 810789064 /nfs/dbraw/zinc/78/90/64/810789064.db2.gz XNLHWTKHQLBUOZ-FVCCEPFGSA-N 2 2 283.372 -0.969 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCO)C1 ZINC001096914532 810789068 /nfs/dbraw/zinc/78/90/68/810789068.db2.gz XNLHWTKHQLBUOZ-FVCCEPFGSA-N 2 2 283.372 -0.969 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCO)C1 ZINC001096914532 810789073 /nfs/dbraw/zinc/78/90/73/810789073.db2.gz XNLHWTKHQLBUOZ-FVCCEPFGSA-N 2 2 283.372 -0.969 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCO)C1 ZINC001096914532 810789076 /nfs/dbraw/zinc/78/90/76/810789076.db2.gz XNLHWTKHQLBUOZ-FVCCEPFGSA-N 2 2 283.372 -0.969 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCCO)C1 ZINC001096914046 810789857 /nfs/dbraw/zinc/78/98/57/810789857.db2.gz DHNJGUXDUWOFEH-MQYQWHSLSA-N 2 2 297.399 -0.579 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCO)C1 ZINC001096914046 810789869 /nfs/dbraw/zinc/78/98/69/810789869.db2.gz DHNJGUXDUWOFEH-MQYQWHSLSA-N 2 2 297.399 -0.579 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCO)C1 ZINC001096914046 810789874 /nfs/dbraw/zinc/78/98/74/810789874.db2.gz DHNJGUXDUWOFEH-MQYQWHSLSA-N 2 2 297.399 -0.579 20 0 CBADLP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(N)=O)C1 ZINC001098393684 810843632 /nfs/dbraw/zinc/84/36/32/810843632.db2.gz BRWUWULQRIMBAL-QCNOEVLYSA-N 2 2 280.372 -0.855 20 0 CBADLP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(N)=O)C1 ZINC001098393684 810843640 /nfs/dbraw/zinc/84/36/40/810843640.db2.gz BRWUWULQRIMBAL-QCNOEVLYSA-N 2 2 280.372 -0.855 20 0 CBADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(N)=O)C1 ZINC001098393684 810843647 /nfs/dbraw/zinc/84/36/47/810843647.db2.gz BRWUWULQRIMBAL-QCNOEVLYSA-N 2 2 280.372 -0.855 20 0 CBADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(N)=O)C1 ZINC001098393684 810843654 /nfs/dbraw/zinc/84/36/54/810843654.db2.gz BRWUWULQRIMBAL-QCNOEVLYSA-N 2 2 280.372 -0.855 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CCO)C3)C1 ZINC001098773925 810858355 /nfs/dbraw/zinc/85/83/55/810858355.db2.gz RCZRFWNBFBPGTP-GUTXKFCHSA-N 2 2 297.399 -0.720 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CCO)C3)C1 ZINC001098773925 810858361 /nfs/dbraw/zinc/85/83/61/810858361.db2.gz RCZRFWNBFBPGTP-GUTXKFCHSA-N 2 2 297.399 -0.720 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](CCO)C3)C1 ZINC001098773925 810858372 /nfs/dbraw/zinc/85/83/72/810858372.db2.gz RCZRFWNBFBPGTP-GUTXKFCHSA-N 2 2 297.399 -0.720 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](CCO)C3)C1 ZINC001098773925 810858379 /nfs/dbraw/zinc/85/83/79/810858379.db2.gz RCZRFWNBFBPGTP-GUTXKFCHSA-N 2 2 297.399 -0.720 20 0 CBADLP COCC[N@@H+]1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001099804316 810944704 /nfs/dbraw/zinc/94/47/04/810944704.db2.gz LPBXBSSDDMBWBV-NEPJUHHUSA-N 2 2 296.371 -0.460 20 0 CBADLP COCC[N@H+]1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001099804316 810944710 /nfs/dbraw/zinc/94/47/10/810944710.db2.gz LPBXBSSDDMBWBV-NEPJUHHUSA-N 2 2 296.371 -0.460 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001099871768 810957038 /nfs/dbraw/zinc/95/70/38/810957038.db2.gz JYFNKINHNGFUBF-CHWSQXEVSA-N 2 2 296.371 -0.724 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001099871768 810957042 /nfs/dbraw/zinc/95/70/42/810957042.db2.gz JYFNKINHNGFUBF-CHWSQXEVSA-N 2 2 296.371 -0.724 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001099871768 810957045 /nfs/dbraw/zinc/95/70/45/810957045.db2.gz JYFNKINHNGFUBF-CHWSQXEVSA-N 2 2 296.371 -0.724 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001099871768 810957049 /nfs/dbraw/zinc/95/70/49/810957049.db2.gz JYFNKINHNGFUBF-CHWSQXEVSA-N 2 2 296.371 -0.724 20 0 CBADLP CC[N@@H+]1CC[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@H](O)C1 ZINC001099926809 810970041 /nfs/dbraw/zinc/97/00/41/810970041.db2.gz RVOBHRXOKSDSSI-VXGBXAGGSA-N 2 2 280.372 -0.076 20 0 CBADLP CC[N@H+]1CC[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@H](O)C1 ZINC001099926809 810970048 /nfs/dbraw/zinc/97/00/48/810970048.db2.gz RVOBHRXOKSDSSI-VXGBXAGGSA-N 2 2 280.372 -0.076 20 0 CBADLP CCOCC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](O)C1 ZINC001100017013 810993081 /nfs/dbraw/zinc/99/30/81/810993081.db2.gz CPAKRUHRKGCUTK-QWHCGFSZSA-N 2 2 296.371 -0.460 20 0 CBADLP CCOCC[N@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](O)C1 ZINC001100017013 810993089 /nfs/dbraw/zinc/99/30/89/810993089.db2.gz CPAKRUHRKGCUTK-QWHCGFSZSA-N 2 2 296.371 -0.460 20 0 CBADLP COCCC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](O)C1 ZINC001100016863 810994028 /nfs/dbraw/zinc/99/40/28/810994028.db2.gz AMLLGYWBVTUCRA-CHWSQXEVSA-N 2 2 296.371 -0.460 20 0 CBADLP COCCC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](O)C1 ZINC001100016863 810994032 /nfs/dbraw/zinc/99/40/32/810994032.db2.gz AMLLGYWBVTUCRA-CHWSQXEVSA-N 2 2 296.371 -0.460 20 0 CBADLP CCOCC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001100048051 811003471 /nfs/dbraw/zinc/00/34/71/811003471.db2.gz FDGNNCKMGMYWLR-VXGBXAGGSA-N 2 2 296.371 -0.460 20 0 CBADLP CCOCC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001100048051 811003476 /nfs/dbraw/zinc/00/34/76/811003476.db2.gz FDGNNCKMGMYWLR-VXGBXAGGSA-N 2 2 296.371 -0.460 20 0 CBADLP CN1CC[C@H]([NH2+]CCCNC(=O)CCc2[nH]cc[nH+]2)C1=O ZINC001157264083 815415583 /nfs/dbraw/zinc/41/55/83/815415583.db2.gz BQXSAICHORLOTD-NSHDSACASA-N 2 2 293.371 -0.331 20 0 CBADLP CC[C@H]([NH2+]CCCNC(=O)CCc1[nH]cc[nH+]1)C(N)=O ZINC001157265477 815415805 /nfs/dbraw/zinc/41/58/05/815415805.db2.gz SFORVJOUIUVBLZ-JTQLQIEISA-N 2 2 281.360 -0.298 20 0 CBADLP CCNC(=O)C[NH2+]CCCNC(=O)CCc1[nH]cc[nH+]1 ZINC001157257555 815415843 /nfs/dbraw/zinc/41/58/43/815415843.db2.gz UDNVBIKNPYYIJG-UHFFFAOYSA-N 2 2 281.360 -0.426 20 0 CBADLP O=C(CCc1[nH]cc[nH+]1)NCCC[NH2+]CCn1cncn1 ZINC001157264514 815415914 /nfs/dbraw/zinc/41/59/14/815415914.db2.gz HWDIADDCPUWSAW-UHFFFAOYSA-N 2 2 291.359 -0.270 20 0 CBADLP C[C@@H]([NH2+]CCCNC(=O)CCc1[nH]cc[nH+]1)C(=O)N(C)C ZINC001157264753 815416351 /nfs/dbraw/zinc/41/63/51/815416351.db2.gz JGFHHDOHHVAFTM-LLVKDONJSA-N 2 2 295.387 -0.085 20 0 CBADLP NC(=O)C[NH2+]C1CC(CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001100391635 811055147 /nfs/dbraw/zinc/05/51/47/811055147.db2.gz UWVBOGBIAQXNRH-UHFFFAOYSA-N 2 2 279.344 -0.688 20 0 CBADLP NC(=O)C[NH2+]C1CC(CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001100391635 811055157 /nfs/dbraw/zinc/05/51/57/811055157.db2.gz UWVBOGBIAQXNRH-UHFFFAOYSA-N 2 2 279.344 -0.688 20 0 CBADLP COC[C@@H](O)C[NH2+]C1CC(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001100710448 811075077 /nfs/dbraw/zinc/07/50/77/811075077.db2.gz RVGAQXDHLRFCJA-XIVSLSHWSA-N 2 2 296.371 -0.556 20 0 CBADLP C[C@@H](CC(=O)NCC1CC([NH2+]CC(N)=O)C1)n1cc[nH+]c1 ZINC001100715739 811075619 /nfs/dbraw/zinc/07/56/19/811075619.db2.gz ZBMORDTXPZRKLA-UNXYVOJBSA-N 2 2 293.371 -0.196 20 0 CBADLP CC[C@@H]([NH2+]C1CC(CNC(=O)Cn2cc[nH+]c2)C1)C(N)=O ZINC001101069587 811093438 /nfs/dbraw/zinc/09/34/38/811093438.db2.gz REGMWBMGDUGVLS-HTAVTVPLSA-N 2 2 293.371 -0.369 20 0 CBADLP CNC(=O)[C@H](CCCC[NH3+])NC(=O)CCn1cc[nH+]c1 ZINC001157323747 815423335 /nfs/dbraw/zinc/42/33/35/815423335.db2.gz YBBGELKSQUOJPL-NSHDSACASA-N 2 2 281.360 -0.367 20 0 CBADLP Cc1nc(NC[C@@H](O)CNC(=O)[C@@H]2CCC[N@H+]2C)cc[nH+]1 ZINC001105751158 811253168 /nfs/dbraw/zinc/25/31/68/811253168.db2.gz WKSVJHQXTXKNBJ-NEPJUHHUSA-N 2 2 293.371 -0.232 20 0 CBADLP Cc1nc(NC[C@@H](O)CNC(=O)[C@@H]2CCC[N@@H+]2C)cc[nH+]1 ZINC001105751158 811253177 /nfs/dbraw/zinc/25/31/77/811253177.db2.gz WKSVJHQXTXKNBJ-NEPJUHHUSA-N 2 2 293.371 -0.232 20 0 CBADLP Cc1nc(NC[C@H](O)CNC(=O)CC[NH+](C)C)cc[nH+]1 ZINC001106084917 811294413 /nfs/dbraw/zinc/29/44/13/811294413.db2.gz IGQRTWUSJLXSAZ-NSHDSACASA-N 2 2 281.360 -0.374 20 0 CBADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+]CCCO ZINC001107079116 811324245 /nfs/dbraw/zinc/32/42/45/811324245.db2.gz SYVJLTJZNCDQJQ-CHWSQXEVSA-N 2 2 280.372 -0.050 20 0 CBADLP C[C@]1(C(=O)N2C[C@@H](F)[C@@H]([NH3+])C2)CC(F)(F)C[NH2+]1 ZINC001157535564 815442326 /nfs/dbraw/zinc/44/23/26/815442326.db2.gz CCBUZDPKGDIERZ-BKPPORCPSA-N 2 2 251.252 -0.119 20 0 CBADLP C[N@H+](CC(=O)NC[C@@]1(C)C[NH+](CCO)CCO1)C1CCC1 ZINC001107996688 811402969 /nfs/dbraw/zinc/40/29/69/811402969.db2.gz FYURBEUTVWWADJ-HNNXBMFYSA-N 2 2 299.415 -0.330 20 0 CBADLP C[N@@H+](CC(=O)NC[C@@]1(C)C[NH+](CCO)CCO1)C1CCC1 ZINC001107996688 811402976 /nfs/dbraw/zinc/40/29/76/811402976.db2.gz FYURBEUTVWWADJ-HNNXBMFYSA-N 2 2 299.415 -0.330 20 0 CBADLP C[NH+](CC(=O)NC[C@@]1(C)C[N@H+](CCO)CCO1)C1CCC1 ZINC001107996688 811402980 /nfs/dbraw/zinc/40/29/80/811402980.db2.gz FYURBEUTVWWADJ-HNNXBMFYSA-N 2 2 299.415 -0.330 20 0 CBADLP C[NH+](CC(=O)NC[C@@]1(C)C[N@@H+](CCO)CCO1)C1CCC1 ZINC001107996688 811402987 /nfs/dbraw/zinc/40/29/87/811402987.db2.gz FYURBEUTVWWADJ-HNNXBMFYSA-N 2 2 299.415 -0.330 20 0 CBADLP C[NH+](C)[C@@H](C(=O)NC[C@@]1(C)C[N@H+](CCO)CCO1)C1CC1 ZINC001107998867 811403275 /nfs/dbraw/zinc/40/32/75/811403275.db2.gz UETOZBJRHWHGEY-HIFRSBDPSA-N 2 2 299.415 -0.474 20 0 CBADLP C[NH+](C)[C@@H](C(=O)NC[C@@]1(C)C[N@@H+](CCO)CCO1)C1CC1 ZINC001107998867 811403284 /nfs/dbraw/zinc/40/32/84/811403284.db2.gz UETOZBJRHWHGEY-HIFRSBDPSA-N 2 2 299.415 -0.474 20 0 CBADLP CC[NH+]1CCO[C@](C)(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001108408729 811446232 /nfs/dbraw/zinc/44/62/32/811446232.db2.gz JUZBJCPUXLZJCO-DZGCQCFKSA-N 2 2 299.415 -0.066 20 0 CBADLP CC[NH+]1CCO[C@](C)(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001108408729 811446237 /nfs/dbraw/zinc/44/62/37/811446237.db2.gz JUZBJCPUXLZJCO-DZGCQCFKSA-N 2 2 299.415 -0.066 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)NC[C@]2(C)C[N@H+](CC)CCO2)C1 ZINC001108408729 811446240 /nfs/dbraw/zinc/44/62/40/811446240.db2.gz JUZBJCPUXLZJCO-DZGCQCFKSA-N 2 2 299.415 -0.066 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)NC[C@]2(C)C[N@@H+](CC)CCO2)C1 ZINC001108408729 811446245 /nfs/dbraw/zinc/44/62/45/811446245.db2.gz JUZBJCPUXLZJCO-DZGCQCFKSA-N 2 2 299.415 -0.066 20 0 CBADLP C[C@]1(CNC(=O)C[NH+]2CCCC2)C[N@H+](CCO)CCO1 ZINC001108398089 811446350 /nfs/dbraw/zinc/44/63/50/811446350.db2.gz ADEREISTMDMNSU-AWEZNQCLSA-N 2 2 285.388 -0.718 20 0 CBADLP C[C@]1(CNC(=O)C[NH+]2CCCC2)C[N@@H+](CCO)CCO1 ZINC001108398089 811446353 /nfs/dbraw/zinc/44/63/53/811446353.db2.gz ADEREISTMDMNSU-AWEZNQCLSA-N 2 2 285.388 -0.718 20 0 CBADLP CCNC(=O)CN(C)C(=O)[C@H]1CCC[N@@H+]([C@H]2CC[NH2+]C2)C1 ZINC001157679762 815452423 /nfs/dbraw/zinc/45/24/23/815452423.db2.gz ZNCXFOZQGDIVQZ-STQMWFEESA-N 2 2 296.415 -0.345 20 0 CBADLP CCNC(=O)CN(C)C(=O)[C@H]1CCC[N@H+]([C@H]2CC[NH2+]C2)C1 ZINC001157679762 815452428 /nfs/dbraw/zinc/45/24/28/815452428.db2.gz ZNCXFOZQGDIVQZ-STQMWFEESA-N 2 2 296.415 -0.345 20 0 CBADLP CN(Cc1ccc2c(c1)OCCO2)C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001157682034 815452798 /nfs/dbraw/zinc/45/27/98/815452798.db2.gz SFJMQFHYEBJHRL-RYUDHWBXSA-N 2 2 291.351 -0.037 20 0 CBADLP CN(Cc1ncccn1)C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001157681661 815453157 /nfs/dbraw/zinc/45/31/57/815453157.db2.gz LLYUXILEXJBYQG-BREBYQMCSA-N 2 2 261.329 -0.343 20 0 CBADLP C[NH+](C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O)C1CC1 ZINC001110666435 811530020 /nfs/dbraw/zinc/53/00/20/811530020.db2.gz LBXDQUFLDYEGEX-NMKXLXIOSA-N 2 2 294.399 -0.467 20 0 CBADLP C[NH+](C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O)C1CC1 ZINC001110666435 811530026 /nfs/dbraw/zinc/53/00/26/811530026.db2.gz LBXDQUFLDYEGEX-NMKXLXIOSA-N 2 2 294.399 -0.467 20 0 CBADLP CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(N)=O)[NH+](C)C ZINC001110714899 811530745 /nfs/dbraw/zinc/53/07/45/811530745.db2.gz LEWIUUPMHNGDJW-KKOKHZNYSA-N 2 2 282.388 -0.467 20 0 CBADLP CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(N)=O)[NH+](C)C ZINC001110714899 811530754 /nfs/dbraw/zinc/53/07/54/811530754.db2.gz LEWIUUPMHNGDJW-KKOKHZNYSA-N 2 2 282.388 -0.467 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)CCCO1 ZINC001157703315 815454734 /nfs/dbraw/zinc/45/47/34/815454734.db2.gz MVQDKLWGSSXFRW-NOOOWODRSA-N 2 2 253.346 -0.426 20 0 CBADLP O=C(N1CCOCC(F)(F)C1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001157708557 815455862 /nfs/dbraw/zinc/45/58/62/815455862.db2.gz WAICUUQJJOEQQR-JOYOIKCWSA-N 2 2 275.299 -0.568 20 0 CBADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CCC[C@H](F)C(=O)C1 ZINC001157730594 815458437 /nfs/dbraw/zinc/45/84/37/815458437.db2.gz MXRFGLSFWBHNNR-XWLWVQCSSA-N 2 2 269.320 -0.534 20 0 CBADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC(F)(F)CC[C@@H]1CO ZINC001157730400 815458527 /nfs/dbraw/zinc/45/85/27/815458527.db2.gz KLFRKINBQRGADP-ZJUUUORDSA-N 2 2 288.298 -0.102 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1C[C@H](CO)C[C@H](F)C1 ZINC001157731858 815459337 /nfs/dbraw/zinc/45/93/37/815459337.db2.gz XKTDWIKKICSPAG-SCVCMEIPSA-N 2 2 284.335 -0.531 20 0 CBADLP COC[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001113018862 811615374 /nfs/dbraw/zinc/61/53/74/811615374.db2.gz CKUXIKGPWSWGOU-ZIAGYGMSSA-N 2 2 299.415 -0.378 20 0 CBADLP COC[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001113018862 811615377 /nfs/dbraw/zinc/61/53/77/811615377.db2.gz CKUXIKGPWSWGOU-ZIAGYGMSSA-N 2 2 299.415 -0.378 20 0 CBADLP CC[C@H](C(=O)N1CC[NH+](C[C@H](O)COC)CC1)[NH+](C)C ZINC001113007180 811615604 /nfs/dbraw/zinc/61/56/04/811615604.db2.gz MQGGBNCHSQAMIT-QWHCGFSZSA-N 2 2 287.404 -0.522 20 0 CBADLP C[NH+]1CCC(C(=O)N2CC[NH+](CCOCCO)CC2)CC1 ZINC001113292366 811628565 /nfs/dbraw/zinc/62/85/65/811628565.db2.gz VHFUAGLUHPARMS-UHFFFAOYSA-N 2 2 299.415 -0.519 20 0 CBADLP COC[C@H](O)C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001113344275 811632148 /nfs/dbraw/zinc/63/21/48/811632148.db2.gz RAUVIKICSXXQHU-UONOGXRCSA-N 2 2 299.415 -0.378 20 0 CBADLP COC[C@H](O)C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001113344275 811632153 /nfs/dbraw/zinc/63/21/53/811632153.db2.gz RAUVIKICSXXQHU-UONOGXRCSA-N 2 2 299.415 -0.378 20 0 CBADLP C[C@H](COCC(=O)N1CC[NH+](CCO)CC1)[NH+]1CCCC1 ZINC001113361786 811634460 /nfs/dbraw/zinc/63/44/60/811634460.db2.gz ZNGJRTJTSSTHJF-CQSZACIVSA-N 2 2 299.415 -0.376 20 0 CBADLP O=C(N1CC[NH+](CCOCCO)CC1)C12CC[NH+](CC1)C2 ZINC001113543799 811645658 /nfs/dbraw/zinc/64/56/58/811645658.db2.gz FOFYMUFHTILWHH-UHFFFAOYSA-N 2 2 297.399 -0.765 20 0 CBADLP CCC[N@H+](C)CC(=O)N1CC[NH+](C[C@@H](O)COC)CC1 ZINC001113572702 811647996 /nfs/dbraw/zinc/64/79/96/811647996.db2.gz HSYCAVRLOURVPS-CYBMUJFWSA-N 2 2 287.404 -0.520 20 0 CBADLP CCC[N@@H+](C)CC(=O)N1CC[NH+](C[C@@H](O)COC)CC1 ZINC001113572702 811648001 /nfs/dbraw/zinc/64/80/01/811648001.db2.gz HSYCAVRLOURVPS-CYBMUJFWSA-N 2 2 287.404 -0.520 20 0 CBADLP CCC[N@H+](C)CC(=O)N1CC[NH+](CCOCCO)CC1 ZINC001113572772 811648467 /nfs/dbraw/zinc/64/84/67/811648467.db2.gz LULJXDUYVCPOIY-UHFFFAOYSA-N 2 2 287.404 -0.519 20 0 CBADLP CCC[N@@H+](C)CC(=O)N1CC[NH+](CCOCCO)CC1 ZINC001113572772 811648470 /nfs/dbraw/zinc/64/84/70/811648470.db2.gz LULJXDUYVCPOIY-UHFFFAOYSA-N 2 2 287.404 -0.519 20 0 CBADLP CCn1nnc2c1[C@H](C(=O)N1CC[C@@H](C)[C@@H]([NH3+])C1)C[NH2+]C2 ZINC001157793971 815467009 /nfs/dbraw/zinc/46/70/09/815467009.db2.gz QBLWXRWPKGRIOM-MXWKQRLJSA-N 2 2 292.387 -0.320 20 0 CBADLP CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001157794337 815467095 /nfs/dbraw/zinc/46/70/95/815467095.db2.gz UJPDTSDBOGSUEN-JIMOISOXSA-N 2 2 293.371 -0.347 20 0 CBADLP CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001157794337 815467098 /nfs/dbraw/zinc/46/70/98/815467098.db2.gz UJPDTSDBOGSUEN-JIMOISOXSA-N 2 2 293.371 -0.347 20 0 CBADLP C[C@H]1CC[C@@H](CO)CN1C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001157854197 815472498 /nfs/dbraw/zinc/47/24/98/815472498.db2.gz AFYGWMOCSWJWGV-KSFQGOMNSA-N 2 2 267.373 -0.172 20 0 CBADLP C[NH+]1CCN(C(=[NH2+])Nc2ncccc2C(N)=O)CC1 ZINC001157910628 815481338 /nfs/dbraw/zinc/48/13/38/815481338.db2.gz OKOLYJUHTYYNLE-UHFFFAOYSA-N 2 2 262.317 -0.225 20 0 CBADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)N2CC[C@@H](CO)[C@@H](O)C2)cc1 ZINC001157903012 815479440 /nfs/dbraw/zinc/47/94/40/815479440.db2.gz DMDRRWHFZOVNTR-IHRRRGAJSA-N 2 2 293.367 -0.540 20 0 CBADLP C[NH+]1CCN(C(=[NH2+])Nc2cncc(C(N)=O)n2)CC1 ZINC001157914371 815481118 /nfs/dbraw/zinc/48/11/18/815481118.db2.gz DUILOZBAKKWPIM-UHFFFAOYSA-N 2 2 263.305 -0.830 20 0 CBADLP C[C@H]1CC[C@@H](CO)N1C(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001157914735 815482144 /nfs/dbraw/zinc/48/21/44/815482144.db2.gz MSYVWZWFHKIGRL-SRRSOLGSSA-N 2 2 253.346 -0.690 20 0 CBADLP O=C(N1CCNCC(F)(F)C1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001157936406 815488411 /nfs/dbraw/zinc/48/84/11/815488411.db2.gz FKYPIGMYCRNFKL-SKDRFNHKSA-N 2 2 274.315 -0.995 20 0 CBADLP O=C(N1CCNCC(F)(F)C1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001157936405 815488478 /nfs/dbraw/zinc/48/84/78/815488478.db2.gz FKYPIGMYCRNFKL-JOYOIKCWSA-N 2 2 274.315 -0.995 20 0 CBADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@H]1[NH2+]CCC[C@H]1C ZINC001157997600 815495505 /nfs/dbraw/zinc/49/55/05/815495505.db2.gz AIZWANOZTFEEGN-UTUOFQBUSA-N 2 2 283.372 -0.262 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1CC2(CC2)C[NH2+]1 ZINC001157998102 815496500 /nfs/dbraw/zinc/49/65/00/815496500.db2.gz DTOBCAWLFKDJLQ-QWRGUYRKSA-N 2 2 281.356 -0.508 20 0 CBADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@H]1CC[C@@H]1[NH3+] ZINC001158000135 815496811 /nfs/dbraw/zinc/49/68/11/815496811.db2.gz VNQMHXPWJLNMTE-LPEHRKFASA-N 2 2 255.318 -0.913 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@]1(C)CCC[NH2+]1 ZINC001158000203 815497273 /nfs/dbraw/zinc/49/72/73/815497273.db2.gz WSEPLFKROAEPGJ-GXFFZTMASA-N 2 2 269.345 -0.508 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)C[C@H]1CCCC[NH2+]1 ZINC001158006704 815497947 /nfs/dbraw/zinc/49/79/47/815497947.db2.gz NDUIFMCEKUUHHD-NEPJUHHUSA-N 2 2 283.372 -0.118 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@H]1CC[NH2+]C[C@@H]1F ZINC001158006959 815498515 /nfs/dbraw/zinc/49/85/15/815498515.db2.gz OMNZRZOAILRVLP-DCAQKATOSA-N 2 2 287.335 -0.703 20 0 CBADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC2(COC2)C1 ZINC001158169239 815508230 /nfs/dbraw/zinc/50/82/30/815508230.db2.gz SZNGRSKYQNGGSV-SNVBAGLBSA-N 2 2 250.302 -0.472 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001115013603 812173082 /nfs/dbraw/zinc/17/30/82/812173082.db2.gz OXLHSWJLAYNEOB-YABSGUDNSA-N 2 2 294.355 -0.993 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001115013603 812173088 /nfs/dbraw/zinc/17/30/88/812173088.db2.gz OXLHSWJLAYNEOB-YABSGUDNSA-N 2 2 294.355 -0.993 20 0 CBADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ncnc2c1C[NH2+]C2 ZINC001158204957 815514376 /nfs/dbraw/zinc/51/43/76/815514376.db2.gz XXIVCWGUILFPEA-MRVPVSSYSA-N 3 2 260.301 -0.872 20 0 CBADLP CCOC(=O)c1cc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)ncn1 ZINC001158203870 815512256 /nfs/dbraw/zinc/51/22/56/815512256.db2.gz ITFQIJATYKCMAC-SECBINFHSA-N 2 2 291.311 -0.299 20 0 CBADLP C[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH+]cn1C ZINC001115190845 812184712 /nfs/dbraw/zinc/18/47/12/812184712.db2.gz YNEKAWRJYQUMDN-MUYACECFSA-N 2 2 292.383 -0.220 20 0 CBADLP C[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH+]cn1C ZINC001115190845 812184717 /nfs/dbraw/zinc/18/47/17/812184717.db2.gz YNEKAWRJYQUMDN-MUYACECFSA-N 2 2 292.383 -0.220 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1[C@H]2C[N@H+](CCF)C[C@H]21 ZINC001115245849 812187116 /nfs/dbraw/zinc/18/71/16/812187116.db2.gz ZPHQYCSNWGNAGC-MQYQWHSLSA-N 2 2 299.390 -0.029 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCF)C[C@H]21 ZINC001115245849 812187125 /nfs/dbraw/zinc/18/71/25/812187125.db2.gz ZPHQYCSNWGNAGC-MQYQWHSLSA-N 2 2 299.390 -0.029 20 0 CBADLP COCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1 ZINC001115342518 812193395 /nfs/dbraw/zinc/19/33/95/812193395.db2.gz ZJTQGJDZGPKIBL-IMRBUKKESA-N 2 2 278.356 -0.034 20 0 CBADLP COCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1 ZINC001115342518 812193399 /nfs/dbraw/zinc/19/33/99/812193399.db2.gz ZJTQGJDZGPKIBL-IMRBUKKESA-N 2 2 278.356 -0.034 20 0 CBADLP NC(=O)c1ccnc(Cl)c1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001158209019 815513909 /nfs/dbraw/zinc/51/39/09/815513909.db2.gz DUALVAIWQQOWJO-SSDOTTSWSA-N 2 2 295.730 -0.118 20 0 CBADLP NC(=O)C[NH2+]C1(CNC(=O)Cc2[nH]cc[nH+]2)CCCCC1 ZINC001115788750 812203338 /nfs/dbraw/zinc/20/33/38/812203338.db2.gz XGIQQZIBMJIYQF-UHFFFAOYSA-N 2 2 293.371 -0.154 20 0 CBADLP C[NH+]1CCN(CC(=O)NCC[NH+]2CC=CC2)CC1 ZINC001116201476 812230662 /nfs/dbraw/zinc/23/06/62/812230662.db2.gz SUZAQHBGKBFHOC-UHFFFAOYSA-N 2 2 252.362 -0.778 20 0 CBADLP CN(C)C(=O)c1ccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nc1 ZINC001158204973 815514313 /nfs/dbraw/zinc/51/43/13/815514313.db2.gz YSYGKAKZIHPYBC-LLVKDONJSA-N 2 2 289.339 -0.169 20 0 CBADLP NC(=O)c1ccnc(N2CCC([N@@H+]3CC[C@@H]([NH3+])C3)CC2)n1 ZINC001158258950 815517347 /nfs/dbraw/zinc/51/73/47/815517347.db2.gz MPIMUXUTCOHVTJ-SNVBAGLBSA-N 2 2 290.371 -0.423 20 0 CBADLP NC(=O)c1ccnc(N2CCC([N@H+]3CC[C@@H]([NH3+])C3)CC2)n1 ZINC001158258950 815517352 /nfs/dbraw/zinc/51/73/52/815517352.db2.gz MPIMUXUTCOHVTJ-SNVBAGLBSA-N 2 2 290.371 -0.423 20 0 CBADLP O=C(N1C[C@@H]2OCC(F)(F)[C@@H]2C1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001158319418 815519161 /nfs/dbraw/zinc/51/91/61/815519161.db2.gz GUFICNSCTQVGCO-WYFGTUCQSA-N 2 2 287.310 -0.570 20 0 CBADLP C[C@@H]1[C@H](C(=O)NCCC[NH2+]Cc2nnn(C)n2)CC[N@@H+]1C ZINC001158421619 815528485 /nfs/dbraw/zinc/52/84/85/815528485.db2.gz ZRVJAVLBRFZIAW-GHMZBOCLSA-N 2 2 295.391 -0.854 20 0 CBADLP C[C@@H]1[C@H](C(=O)NCCC[NH2+]Cc2nnn(C)n2)CC[N@H+]1C ZINC001158421619 815528491 /nfs/dbraw/zinc/52/84/91/815528491.db2.gz ZRVJAVLBRFZIAW-GHMZBOCLSA-N 2 2 295.391 -0.854 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC001118313724 812526318 /nfs/dbraw/zinc/52/63/18/812526318.db2.gz IXQBKEFWSITYEK-MFKMUULPSA-N 2 2 266.345 -0.229 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC001118313724 812526322 /nfs/dbraw/zinc/52/63/22/812526322.db2.gz IXQBKEFWSITYEK-MFKMUULPSA-N 2 2 266.345 -0.229 20 0 CBADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC001118313724 812526327 /nfs/dbraw/zinc/52/63/27/812526327.db2.gz IXQBKEFWSITYEK-MFKMUULPSA-N 2 2 266.345 -0.229 20 0 CBADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC001118313724 812526331 /nfs/dbraw/zinc/52/63/31/812526331.db2.gz IXQBKEFWSITYEK-MFKMUULPSA-N 2 2 266.345 -0.229 20 0 CBADLP O=C(Cc1cn2c([nH+]1)CCCC2)NCCC[NH2+]CCO ZINC001158486356 815535640 /nfs/dbraw/zinc/53/56/40/815535640.db2.gz KYPSXJBKLWAMDF-UHFFFAOYSA-N 2 2 280.372 -0.150 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)C[NH2+]C(C)C ZINC001118568982 812577582 /nfs/dbraw/zinc/57/75/82/812577582.db2.gz LVBAHJUALKMBKI-JTQLQIEISA-N 2 2 257.334 -0.652 20 0 CBADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)C[NH2+]C(C)C ZINC001118568983 812578262 /nfs/dbraw/zinc/57/82/62/812578262.db2.gz LVBAHJUALKMBKI-SNVBAGLBSA-N 2 2 257.334 -0.652 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC001118569438 812579306 /nfs/dbraw/zinc/57/93/06/812579306.db2.gz WNCAGWRFNMBRJI-GUBZILKMSA-N 2 2 255.318 -0.913 20 0 CBADLP [NH3+]C1([C@H]2CN(C(=O)C3([NH3+])CC[NH2+]CC3)C[C@@H]2CF)CC1 ZINC001158576189 815539111 /nfs/dbraw/zinc/53/91/11/815539111.db2.gz AFEFFBMWRZAICK-QWRGUYRKSA-N 3 2 284.379 -0.397 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H]3CCNC3=O)C2)CC1 ZINC001118660191 812594903 /nfs/dbraw/zinc/59/49/03/812594903.db2.gz CBDQHJKHXVIYDY-YPMHNXCESA-N 2 2 294.399 -0.593 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@H]3CCNC3=O)C2)CC1 ZINC001118660191 812594911 /nfs/dbraw/zinc/59/49/11/812594911.db2.gz CBDQHJKHXVIYDY-YPMHNXCESA-N 2 2 294.399 -0.593 20 0 CBADLP CC(=O)OC[C@H]([NH3+])C(=O)N1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC001158626111 815540574 /nfs/dbraw/zinc/54/05/74/815540574.db2.gz DPJQIVSHHBDDTN-NGZCFLSTSA-N 2 2 257.334 -0.572 20 0 CBADLP CC(=O)OC[C@H]([NH3+])C(=O)N1C[C@H](C)[N@H+](C)C[C@H]1C ZINC001158626111 815540579 /nfs/dbraw/zinc/54/05/79/815540579.db2.gz DPJQIVSHHBDDTN-NGZCFLSTSA-N 2 2 257.334 -0.572 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNc1cc2c(nn1)CC[NH2+]C2 ZINC001158707796 815543409 /nfs/dbraw/zinc/54/34/09/815543409.db2.gz TXJOWRSVBQEZPV-LLVKDONJSA-N 2 2 263.345 -0.135 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNc1cc2c(nn1)CC[NH2+]C2 ZINC001158707796 815543412 /nfs/dbraw/zinc/54/34/12/815543412.db2.gz TXJOWRSVBQEZPV-LLVKDONJSA-N 2 2 263.345 -0.135 20 0 CBADLP O=C1NC(=O)[C@@]2(CCC[N@H+](CC34CC(C3)C[NH2+]4)C2)N1 ZINC001119090753 812709014 /nfs/dbraw/zinc/70/90/14/812709014.db2.gz MJURSWTXSDCDMU-LDUAJXOISA-N 2 2 264.329 -0.588 20 0 CBADLP O=C1NC(=O)[C@@]2(CCC[N@@H+](CC34CC(C3)C[NH2+]4)C2)N1 ZINC001119090753 812709019 /nfs/dbraw/zinc/70/90/19/812709019.db2.gz MJURSWTXSDCDMU-LDUAJXOISA-N 2 2 264.329 -0.588 20 0 CBADLP C[C@H]1C[C@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3CC[NH2+]4)CC[C@H]2O1 ZINC001158855183 815549634 /nfs/dbraw/zinc/54/96/34/815549634.db2.gz FNBFBWHRPCYPCU-WHPHWUKISA-N 2 2 279.384 -0.036 20 0 CBADLP [NH3+]C1(CNC(=O)/C=C/C[NH+]2CCOCC2)CCOCC1 ZINC001119300513 812747112 /nfs/dbraw/zinc/74/71/12/812747112.db2.gz XMTNLLBYNIITPS-OWOJBTEDSA-N 2 2 283.372 -0.501 20 0 CBADLP COC(=O)C1(O)CC[NH+](CCc2c[nH+]cn2C)CC1 ZINC001119308984 812750348 /nfs/dbraw/zinc/75/03/48/812750348.db2.gz RXTMELGNGLBIAP-UHFFFAOYSA-N 2 2 267.329 -0.038 20 0 CBADLP C[C@H]1C[C@H]2CN(C(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])CC[C@H]2O1 ZINC001158862988 815550823 /nfs/dbraw/zinc/55/08/23/815550823.db2.gz DEIWJALSERPUPC-UHFZAUJKSA-N 2 2 253.346 -0.441 20 0 CBADLP O=C(NCCCCn1cc[nH+]c1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001119343461 812761086 /nfs/dbraw/zinc/76/10/86/812761086.db2.gz ITNHRDOHYGIAOW-RYUDHWBXSA-N 2 2 291.355 -0.648 20 0 CBADLP C[NH+]1CCC([NH2+][C@@H]2C(=O)NCC23CCOCC3)CC1 ZINC001119452557 812786919 /nfs/dbraw/zinc/78/69/19/812786919.db2.gz MBDINKRGSXSTQG-GFCCVEGCSA-N 2 2 267.373 -0.035 20 0 CBADLP COCc1n[nH]c2c1CN(C(=O)[C@]13C[NH2+]C[C@@H]1CC[NH2+]3)C2 ZINC001159090961 815558888 /nfs/dbraw/zinc/55/88/88/815558888.db2.gz IKBMINNKLWWIJH-XPTSAGLGSA-N 2 2 291.355 -0.650 20 0 CBADLP COCc1n[nH]c2c1CN(C(=O)[C@@H]1C[C@H]3C[NH2+]C[C@H]3[NH2+]1)C2 ZINC001159090992 815558911 /nfs/dbraw/zinc/55/89/11/815558911.db2.gz JSDHTYSSCRDVMW-INTQDDNPSA-N 2 2 291.355 -0.652 20 0 CBADLP C[NH+]1CCN(c2nccc(NC[C@H]3COCC[NH2+]3)n2)CC1 ZINC001159046537 815557514 /nfs/dbraw/zinc/55/75/14/815557514.db2.gz LPKHQMCXUDHMMY-LBPRGKRZSA-N 2 2 292.387 -0.371 20 0 CBADLP C[NH2+]CCN(C)C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001120557386 812991720 /nfs/dbraw/zinc/99/17/20/812991720.db2.gz IPMLFOVXKXJDHS-UHFFFAOYSA-N 3 2 257.382 -0.730 20 0 CBADLP C[C@@H](CC[NH2+]CC1(O)CCS(=O)(=O)CC1)[NH+](C)C ZINC001120583664 812996216 /nfs/dbraw/zinc/99/62/16/812996216.db2.gz XCEAXNARYUCPAU-NSHDSACASA-N 2 2 278.418 -0.144 20 0 CBADLP COC[C@H]1C[NH2+]CCN1C(=O)NCc1c[nH+]cn1C ZINC001120623983 813000107 /nfs/dbraw/zinc/00/01/07/813000107.db2.gz ZZERKXRTBMXLSR-LLVKDONJSA-N 2 2 267.333 -0.450 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)N2CCC[C@@H]([NH3+])C2)CC1 ZINC001120650007 813006622 /nfs/dbraw/zinc/00/66/22/813006622.db2.gz XPSFSIAQAMKZOK-GFCCVEGCSA-N 3 2 269.393 -0.458 20 0 CBADLP Cc1nc(N[C@H](CO)CNC(=O)C[NH+]2CCCC2)cc[nH+]1 ZINC001121579886 813070791 /nfs/dbraw/zinc/07/07/91/813070791.db2.gz BGNFPQQSZPWKGT-LBPRGKRZSA-N 2 2 293.371 -0.230 20 0 CBADLP Cc1nc(N[C@@H](CO)CNC(=O)[C@H]2CC[N@@H+](C)C2)cc[nH+]1 ZINC001121589489 813070965 /nfs/dbraw/zinc/07/09/65/813070965.db2.gz GERIAPMSOOTMOZ-NWDGAFQWSA-N 2 2 293.371 -0.374 20 0 CBADLP Cc1nc(N[C@@H](CO)CNC(=O)[C@H]2CC[N@H+](C)C2)cc[nH+]1 ZINC001121589489 813070973 /nfs/dbraw/zinc/07/09/73/813070973.db2.gz GERIAPMSOOTMOZ-NWDGAFQWSA-N 2 2 293.371 -0.374 20 0 CBADLP CN(C)c1cc(NCCOCCOCC[NH3+])[nH+]cn1 ZINC001159443194 815574109 /nfs/dbraw/zinc/57/41/09/815574109.db2.gz MQCKBGGXXFVTIO-UHFFFAOYSA-N 2 2 269.349 -0.054 20 0 CBADLP CN(C)c1cc(NCCOCCOCC[NH3+])nc[nH+]1 ZINC001159443194 815574114 /nfs/dbraw/zinc/57/41/14/815574114.db2.gz MQCKBGGXXFVTIO-UHFFFAOYSA-N 2 2 269.349 -0.054 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC001121991509 813101897 /nfs/dbraw/zinc/10/18/97/813101897.db2.gz SLJDXBAHKSLXLH-YPMHNXCESA-N 2 2 266.345 -0.108 20 0 CBADLP C[C@@H](NC(=O)[C@@H]1C[C@@H]1C[NH3+])[C@H](C)[NH+]1CCOCC1 ZINC001121997727 813102968 /nfs/dbraw/zinc/10/29/68/813102968.db2.gz GZZDXIDHAFZWAS-WRWGMCAJSA-N 2 2 255.362 -0.193 20 0 CBADLP CC(C)C[C@H](C(=O)NC[C@@H](O)C[NH3+])n1cc[nH+]c1 ZINC001122072710 813113583 /nfs/dbraw/zinc/11/35/83/813113583.db2.gz DGVKSOFPVFNGAG-WDEREUQCSA-N 2 2 254.334 -0.094 20 0 CBADLP [NH3+][C@H]1CC=C(C(=O)NCC[NH+]2CCC([NH3+])CC2)C1 ZINC001122157902 813125747 /nfs/dbraw/zinc/12/57/47/813125747.db2.gz XUZPPDCMWKBMJQ-LBPRGKRZSA-N 3 2 252.362 -0.427 20 0 CBADLP C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1C(=O)CN1CC[NH2+]CC1=O ZINC001122182487 813128870 /nfs/dbraw/zinc/12/88/70/813128870.db2.gz VRYXVHOYMQSLAL-GARJFASQSA-N 2 2 268.361 -0.985 20 0 CBADLP CC[C@H](C)[C@H]([NH3+])C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001122238827 813136938 /nfs/dbraw/zinc/13/69/38/813136938.db2.gz IWWSBMNAIMZUAD-JQWIXIFHSA-N 3 2 256.394 -0.101 20 0 CBADLP CCOCCOCC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001122239911 813137705 /nfs/dbraw/zinc/13/77/05/813137705.db2.gz QJHWKUZSENYXAS-UHFFFAOYSA-N 2 2 273.377 -0.421 20 0 CBADLP CCNC(=O)C[NH2+]CCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001159537071 815579446 /nfs/dbraw/zinc/57/94/46/815579446.db2.gz IXWWQPCTYUZWID-UHFFFAOYSA-N 2 2 281.360 -0.426 20 0 CBADLP CCNC(=O)C[NH2+]CCCNC(=O)CCc1c[nH+]c[nH]1 ZINC001159537071 815579451 /nfs/dbraw/zinc/57/94/51/815579451.db2.gz IXWWQPCTYUZWID-UHFFFAOYSA-N 2 2 281.360 -0.426 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CC[C@@H](O)[C@@H]1Cc1ccccc1 ZINC001159534044 815579611 /nfs/dbraw/zinc/57/96/11/815579611.db2.gz SIUCNVUIIKXECG-ZQDZILKHSA-N 2 2 289.379 -0.262 20 0 CBADLP NC(=O)[C@@H]1CCCN1c1cc(N[C@@H]([NH3+])CCC[NH3+])nc[nH+]1 ZINC001159790026 815596212 /nfs/dbraw/zinc/59/62/12/815596212.db2.gz ZUZOJCOTCDSDFS-VHSXEESVSA-N 3 2 293.375 -0.634 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1ncccn1 ZINC001124873003 813491747 /nfs/dbraw/zinc/49/17/47/813491747.db2.gz QXUVWTGBCVLQJB-LLVKDONJSA-N 2 2 263.345 -0.223 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1ncccn1 ZINC001124873003 813491749 /nfs/dbraw/zinc/49/17/49/813491749.db2.gz QXUVWTGBCVLQJB-LLVKDONJSA-N 2 2 263.345 -0.223 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1nnnn1C1CC1 ZINC001124872708 813492523 /nfs/dbraw/zinc/49/25/23/813492523.db2.gz LTLXFKFEUIAJIF-LLVKDONJSA-N 2 2 293.375 -0.692 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1nnnn1C1CC1 ZINC001124872708 813492525 /nfs/dbraw/zinc/49/25/25/813492525.db2.gz LTLXFKFEUIAJIF-LLVKDONJSA-N 2 2 293.375 -0.692 20 0 CBADLP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C)c1nnnn1C ZINC001124879130 813494375 /nfs/dbraw/zinc/49/43/75/813494375.db2.gz QFDNLIVCOJPPAS-ZJUUUORDSA-N 2 2 281.364 -0.929 20 0 CBADLP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C)c1nnnn1C ZINC001124879130 813494378 /nfs/dbraw/zinc/49/43/78/813494378.db2.gz QFDNLIVCOJPPAS-ZJUUUORDSA-N 2 2 281.364 -0.929 20 0 CBADLP CCCn1nnnc1C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001124877280 813495085 /nfs/dbraw/zinc/49/50/85/813495085.db2.gz FCOHQQWEROLTES-LLVKDONJSA-N 2 2 295.391 -0.617 20 0 CBADLP CCCn1nnnc1C[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001124877280 813495090 /nfs/dbraw/zinc/49/50/90/813495090.db2.gz FCOHQQWEROLTES-LLVKDONJSA-N 2 2 295.391 -0.617 20 0 CBADLP Cc1nc(C[NH2+]CCNC(=O)[C@@H]2C[N@H+](C)CCO2)cs1 ZINC001125203733 813530825 /nfs/dbraw/zinc/53/08/25/813530825.db2.gz QSUAKCQDTIXGMV-LBPRGKRZSA-N 2 2 298.412 -0.012 20 0 CBADLP Cc1nc(C[NH2+]CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)cs1 ZINC001125203733 813530831 /nfs/dbraw/zinc/53/08/31/813530831.db2.gz QSUAKCQDTIXGMV-LBPRGKRZSA-N 2 2 298.412 -0.012 20 0 CBADLP Cc1nccnc1C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125221376 813534301 /nfs/dbraw/zinc/53/43/01/813534301.db2.gz PRFYJPIDTXDQDI-CYBMUJFWSA-N 2 2 293.371 -0.679 20 0 CBADLP Cc1nccnc1C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125221376 813534307 /nfs/dbraw/zinc/53/43/07/813534307.db2.gz PRFYJPIDTXDQDI-CYBMUJFWSA-N 2 2 293.371 -0.679 20 0 CBADLP Cc1nccnc1C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125221377 813534922 /nfs/dbraw/zinc/53/49/22/813534922.db2.gz PRFYJPIDTXDQDI-ZDUSSCGKSA-N 2 2 293.371 -0.679 20 0 CBADLP Cc1nccnc1C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125221377 813534927 /nfs/dbraw/zinc/53/49/27/813534927.db2.gz PRFYJPIDTXDQDI-ZDUSSCGKSA-N 2 2 293.371 -0.679 20 0 CBADLP Cc1cnc(C[NH2+]CCNC(=O)[C@@H]2C[N@H+](C)CCO2)s1 ZINC001125222243 813535008 /nfs/dbraw/zinc/53/50/08/813535008.db2.gz UMIMHTJSEGZCIR-NSHDSACASA-N 2 2 298.412 -0.012 20 0 CBADLP Cc1cnc(C[NH2+]CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)s1 ZINC001125222243 813535018 /nfs/dbraw/zinc/53/50/18/813535018.db2.gz UMIMHTJSEGZCIR-NSHDSACASA-N 2 2 298.412 -0.012 20 0 CBADLP O=C(CCc1[nH]cc[nH+]1)NCC[NH2+]CCN1CCCC1=O ZINC001126447501 813648212 /nfs/dbraw/zinc/64/82/12/813648212.db2.gz HWILOXCDDVZOCI-UHFFFAOYSA-N 2 2 293.371 -0.330 20 0 CBADLP O=C(CCc1[nH]cc[nH+]1)NCC[NH2+]CC(=O)N1CCCC1 ZINC001126436955 813648503 /nfs/dbraw/zinc/64/85/03/813648503.db2.gz OWQNHSZQBYKQPO-UHFFFAOYSA-N 2 2 293.371 -0.330 20 0 CBADLP Cn1ccc(C[NH2+]CCNC(=O)CCc2[nH]cc[nH+]2)n1 ZINC001126436742 813648561 /nfs/dbraw/zinc/64/85/61/813648561.db2.gz KHHBTIPHTYREFX-UHFFFAOYSA-N 2 2 276.344 -0.018 20 0 CBADLP Cc1c[nH+]c2cc(C(=O)NCC[NH2+][C@@H](C)C(N)=O)ccn12 ZINC001127293520 813721030 /nfs/dbraw/zinc/72/10/30/813721030.db2.gz VUTAECSFEHAJLC-JTQLQIEISA-N 2 2 289.339 -0.164 20 0 CBADLP CNC(=O)C[NH2+]CCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001127288528 813721413 /nfs/dbraw/zinc/72/14/13/813721413.db2.gz HPIWUKLVGKYPCM-UHFFFAOYSA-N 2 2 289.339 -0.292 20 0 CBADLP O=C(NCC[NH2+]Cc1cnon1)[C@@H]1C[NH+]2CCC1CC2 ZINC001127480087 813734146 /nfs/dbraw/zinc/73/41/46/813734146.db2.gz IJCFRQJFIRJFTF-GFCCVEGCSA-N 2 2 279.344 -0.383 20 0 CBADLP Cc1nonc1C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127685446 813742665 /nfs/dbraw/zinc/74/26/65/813742665.db2.gz OHMPRTQROFZWFO-GHMZBOCLSA-N 2 2 281.360 -0.076 20 0 CBADLP Cc1nonc1C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127685446 813742673 /nfs/dbraw/zinc/74/26/73/813742673.db2.gz OHMPRTQROFZWFO-GHMZBOCLSA-N 2 2 281.360 -0.076 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)NCC[NH2+]CC(=O)N1CCC1 ZINC001128986293 813812852 /nfs/dbraw/zinc/81/28/52/813812852.db2.gz PJPBYEUXARDWFL-UHFFFAOYSA-N 2 2 279.344 -0.720 20 0 CBADLP Cc1noc(C[NH2+]CCNC(=O)[C@@H](C2CC2)[NH+](C)C)n1 ZINC001129437156 813842135 /nfs/dbraw/zinc/84/21/35/813842135.db2.gz WFLMDOCKAJJDCO-GFCCVEGCSA-N 2 2 281.360 -0.076 20 0 CBADLP C[N@H+](CC(=O)NCC[NH2+]CCS(C)(=O)=O)C1CCC1 ZINC001129532063 813849282 /nfs/dbraw/zinc/84/92/82/813849282.db2.gz PNDUMKKBOYQVFV-UHFFFAOYSA-N 2 2 291.417 -0.779 20 0 CBADLP C[N@@H+](CC(=O)NCC[NH2+]CCS(C)(=O)=O)C1CCC1 ZINC001129532063 813849291 /nfs/dbraw/zinc/84/92/91/813849291.db2.gz PNDUMKKBOYQVFV-UHFFFAOYSA-N 2 2 291.417 -0.779 20 0 CBADLP C[C@@H]([NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(N)=O ZINC001129891401 813875336 /nfs/dbraw/zinc/87/53/36/813875336.db2.gz KNZPDBAAJYVKMB-IWSPIJDZSA-N 2 2 265.317 -0.907 20 0 CBADLP C[C@H](O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001129891591 813875909 /nfs/dbraw/zinc/87/59/09/813875909.db2.gz OEWADKMZHMKNMJ-IVZWLZJFSA-N 2 2 252.318 -0.400 20 0 CBADLP C[C@H](O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001129891591 813875920 /nfs/dbraw/zinc/87/59/20/813875920.db2.gz OEWADKMZHMKNMJ-IVZWLZJFSA-N 2 2 252.318 -0.400 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]CCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001130165041 813913134 /nfs/dbraw/zinc/91/31/34/813913134.db2.gz JQMDDMGSRKCTMT-NSHDSACASA-N 2 2 295.387 -0.233 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2ccn(C)n2)O1 ZINC001130180099 813913938 /nfs/dbraw/zinc/91/39/38/813913938.db2.gz ARTZITGXRZDAKC-DGCLKSJQSA-N 2 2 295.387 -0.655 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2ccn(C)n2)O1 ZINC001130180099 813913955 /nfs/dbraw/zinc/91/39/55/813913955.db2.gz ARTZITGXRZDAKC-DGCLKSJQSA-N 2 2 295.387 -0.655 20 0 CBADLP CC[C@H](C(=O)NCC[NH2+]Cc1nonc1C)[NH+](C)C ZINC001130197898 813916093 /nfs/dbraw/zinc/91/60/93/813916093.db2.gz QJYSCZIYTQWVPL-LLVKDONJSA-N 2 2 269.349 -0.076 20 0 CBADLP CC[C@H](C(=O)NCC[NH2+]Cc1nc(COC)no1)[NH+](C)C ZINC001130197890 813916663 /nfs/dbraw/zinc/91/66/63/813916663.db2.gz QGKITBBIQKSGMN-SNVBAGLBSA-N 2 2 299.375 -0.238 20 0 CBADLP CC[C@H](C(=O)NCC[NH2+]Cc1cnon1)[NH+](C)C ZINC001130203657 813918114 /nfs/dbraw/zinc/91/81/14/813918114.db2.gz RWECUYULHWEFCZ-SNVBAGLBSA-N 2 2 255.322 -0.384 20 0 CBADLP C[C@@H]([NH2+]CCNC(=O)c1cc2c[nH+]ccc2[nH]1)C(N)=O ZINC001130266102 813922691 /nfs/dbraw/zinc/92/26/91/813922691.db2.gz LOLVBMFMMFMBOX-MRVPVSSYSA-N 2 2 275.312 -0.244 20 0 CBADLP Cc1nnc(C[NH2+]CCNC(=O)[C@H]2CCCC[N@H+]2C)[nH]1 ZINC001130300666 813924273 /nfs/dbraw/zinc/92/42/73/813924273.db2.gz UAJAAPQVKNDNBB-LLVKDONJSA-N 2 2 280.376 -0.197 20 0 CBADLP Cc1nnc(C[NH2+]CCNC(=O)[C@H]2CCCC[N@@H+]2C)[nH]1 ZINC001130300666 813924280 /nfs/dbraw/zinc/92/42/80/813924280.db2.gz UAJAAPQVKNDNBB-LLVKDONJSA-N 2 2 280.376 -0.197 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001130403735 813936091 /nfs/dbraw/zinc/93/60/91/813936091.db2.gz BHMZEZWUGMJTNO-QWRGUYRKSA-N 2 2 293.371 -0.714 20 0 CBADLP CC[C@H]([NH2+]CCNC(=O)[C@H]1CCn2c[nH+]cc2C1)C(N)=O ZINC001130404981 813936874 /nfs/dbraw/zinc/93/68/74/813936874.db2.gz UJHNFRJJBUPUGA-JQWIXIFHSA-N 2 2 293.371 -0.585 20 0 CBADLP O=C(NCC[NH2+][C@@H]1CCNC1=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001130480795 813943266 /nfs/dbraw/zinc/94/32/66/813943266.db2.gz CRDZSSHGAMJGOJ-WDEREUQCSA-N 2 2 291.355 -0.960 20 0 CBADLP O=C(NCC[NH2+]CCCO)[C@@H]1CCn2cc[nH+]c2C1 ZINC001130484591 813943424 /nfs/dbraw/zinc/94/34/24/813943424.db2.gz QVDCMWJDBABLTR-LLVKDONJSA-N 2 2 266.345 -0.466 20 0 CBADLP C[C@@H]([NH2+]CCNC(=O)[C@H]1CCc2[nH+]ccn2C1)C(N)=O ZINC001130477183 813943598 /nfs/dbraw/zinc/94/35/98/813943598.db2.gz BZMCPVUQMLWTKE-ZJUUUORDSA-N 2 2 279.344 -0.975 20 0 CBADLP C[C@@H](O)C[NH2+]CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001130477534 813943796 /nfs/dbraw/zinc/94/37/96/813943796.db2.gz GIJKGRQHIQJTDD-GHMZBOCLSA-N 2 2 266.345 -0.468 20 0 CBADLP O=C(NCC[NH2+]CCCO)[C@H]1CCn2cc[nH+]c2C1 ZINC001130484592 813943942 /nfs/dbraw/zinc/94/39/42/813943942.db2.gz QVDCMWJDBABLTR-NSHDSACASA-N 2 2 266.345 -0.466 20 0 CBADLP CC[C@H]([NH2+]CCNC(=O)[C@H]1CCc2[nH+]ccn2C1)C(N)=O ZINC001130481472 813943996 /nfs/dbraw/zinc/94/39/96/813943996.db2.gz UJGAEJRASHIBGP-QWRGUYRKSA-N 2 2 293.371 -0.585 20 0 CBADLP O=C(NCC[NH2+]CCCO)[C@H]1CCc2[nH+]ccn2C1 ZINC001130481479 813944296 /nfs/dbraw/zinc/94/42/96/813944296.db2.gz UKYMFMNQLZWCSQ-NSHDSACASA-N 2 2 266.345 -0.466 20 0 CBADLP O=C(NCC[NH2+]CCOCCO)[C@H]1CCc2[nH+]ccn2C1 ZINC001130477820 813944334 /nfs/dbraw/zinc/94/43/34/813944334.db2.gz LOUJLGWJXYQSPV-LBPRGKRZSA-N 2 2 296.371 -0.840 20 0 CBADLP CNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001130491735 813945192 /nfs/dbraw/zinc/94/51/92/813945192.db2.gz ZOCPVGUEBSWLMB-SNVBAGLBSA-N 2 2 293.371 -0.725 20 0 CBADLP CNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001130491735 813945198 /nfs/dbraw/zinc/94/51/98/813945198.db2.gz ZOCPVGUEBSWLMB-SNVBAGLBSA-N 2 2 293.371 -0.725 20 0 CBADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC[NH2+]CCCO)C2 ZINC001130490963 813945575 /nfs/dbraw/zinc/94/55/75/813945575.db2.gz KHYNEZHKRDQRGX-LLVKDONJSA-N 2 2 280.372 -0.089 20 0 CBADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)NCC[NH2+]CCCO)CC2 ZINC001130490963 813945577 /nfs/dbraw/zinc/94/55/77/813945577.db2.gz KHYNEZHKRDQRGX-LLVKDONJSA-N 2 2 280.372 -0.089 20 0 CBADLP C[C@H](O)C[NH2+]CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001130488651 813945761 /nfs/dbraw/zinc/94/57/61/813945761.db2.gz SUZUFVRXYNXKRV-QWRGUYRKSA-N 2 2 266.345 -0.468 20 0 CBADLP C[C@@H]([NH2+]CCNC(=O)[C@H]1CCc2c[nH+]cn2C1)C(N)=O ZINC001130488758 813945795 /nfs/dbraw/zinc/94/57/95/813945795.db2.gz VXOZGTYMGWNPMU-ZJUUUORDSA-N 2 2 279.344 -0.975 20 0 CBADLP C[C@H](O)C[NH2+]CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001130488652 813946241 /nfs/dbraw/zinc/94/62/41/813946241.db2.gz SUZUFVRXYNXKRV-WDEREUQCSA-N 2 2 266.345 -0.468 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cc(C[NH+](C)C)on1 ZINC001130648193 813959130 /nfs/dbraw/zinc/95/91/30/813959130.db2.gz JQGRGOJIJVDXGI-SECBINFHSA-N 2 2 297.359 -0.810 20 0 CBADLP O=C(NCC[NH2+]Cc1cnon1)C12CCC[NH+]1CCC2 ZINC001130808675 813984352 /nfs/dbraw/zinc/98/43/52/813984352.db2.gz MEUDLXLQKIYSNH-UHFFFAOYSA-N 2 2 279.344 -0.096 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NCC[NH2+]Cc1ncccn1 ZINC001131380080 814028231 /nfs/dbraw/zinc/02/82/31/814028231.db2.gz BUGQNZSRYJWRCG-UHFFFAOYSA-N 2 2 274.328 -0.112 20 0 CBADLP CN(C)C(=O)C[NH2+]CCNC(=O)CCc1[nH+]ccn1C ZINC001131639643 814049633 /nfs/dbraw/zinc/04/96/33/814049633.db2.gz LXINFOOMOUITAA-UHFFFAOYSA-N 2 2 281.360 -0.853 20 0 CBADLP CC(C)CNC(=O)C[NH2+]CCNC(=O)CCn1cc[nH+]c1 ZINC001132082438 814100767 /nfs/dbraw/zinc/10/07/67/814100767.db2.gz OKINHYKZTXOWBP-UHFFFAOYSA-N 2 2 295.387 -0.249 20 0 CBADLP O=C(CCn1cc[nH+]c1)NCC[NH2+]CCN1CCCC1=O ZINC001132082521 814101408 /nfs/dbraw/zinc/10/14/08/814101408.db2.gz QOQHUPOLPFWBPZ-UHFFFAOYSA-N 2 2 293.371 -0.399 20 0 CBADLP C[C@H]([NH2+]CCNC(=O)CCn1cc[nH+]c1)C(=O)NC1CC1 ZINC001132084671 814102926 /nfs/dbraw/zinc/10/29/26/814102926.db2.gz GIWZCESXLCIIGU-NSHDSACASA-N 2 2 293.371 -0.354 20 0 CBADLP O=C(NCC[NH2+]CCCO)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001132783934 814188894 /nfs/dbraw/zinc/18/88/94/814188894.db2.gz BDOSMCOZBAFOHL-AWEZNQCLSA-N 2 2 299.415 -0.282 20 0 CBADLP O=C(NCC[NH2+]CCCO)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001132783934 814188902 /nfs/dbraw/zinc/18/89/02/814188902.db2.gz BDOSMCOZBAFOHL-AWEZNQCLSA-N 2 2 299.415 -0.282 20 0 CBADLP C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C[NH2+]CC(N)=O ZINC001133194458 814226771 /nfs/dbraw/zinc/22/67/71/814226771.db2.gz GAMCDNOVTDNCEO-MNOVXSKESA-N 2 2 293.371 -0.488 20 0 CBADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+]CC(C)C ZINC001133255621 814233060 /nfs/dbraw/zinc/23/30/60/814233060.db2.gz STMAQYXACHEUAK-ZDUSSCGKSA-N 2 2 295.387 -0.181 20 0 CBADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[NH2+]CC(C)C ZINC001133255621 814233062 /nfs/dbraw/zinc/23/30/62/814233062.db2.gz STMAQYXACHEUAK-ZDUSSCGKSA-N 2 2 295.387 -0.181 20 0 CBADLP C[NH+](C)CCC(=O)NCC[NH2+]Cc1nncs1 ZINC001133287348 814235177 /nfs/dbraw/zinc/23/51/77/814235177.db2.gz IKWBLWADTIXVJZ-UHFFFAOYSA-N 2 2 257.363 -0.304 20 0 CBADLP C[NH+](C)CCC(=O)NCC[NH2+]Cc1csnn1 ZINC001133294854 814238933 /nfs/dbraw/zinc/23/89/33/814238933.db2.gz WXTZHYQKYYBLOC-UHFFFAOYSA-N 2 2 257.363 -0.304 20 0 CBADLP CCc1nnc(C[NH2+]CCNC(=O)CC[NH+](C)C)o1 ZINC001133294824 814238822 /nfs/dbraw/zinc/23/88/22/814238822.db2.gz WBOATLRFAYCCMW-UHFFFAOYSA-N 2 2 269.349 -0.211 20 0 CBADLP CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001133663116 814283768 /nfs/dbraw/zinc/28/37/68/814283768.db2.gz CEFVCALIWNSKIM-JTQLQIEISA-N 2 2 293.371 -0.329 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001133663537 814284429 /nfs/dbraw/zinc/28/44/29/814284429.db2.gz FMKXERZWJCSQIQ-UWVGGRQHSA-N 2 2 293.371 -0.330 20 0 CBADLP Cc1noc(C[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)n1 ZINC001133868122 814313047 /nfs/dbraw/zinc/31/30/47/814313047.db2.gz ZKYGVFAJJWICCO-ONGXEEELSA-N 2 2 281.360 -0.218 20 0 CBADLP Cc1noc(C[NH2+]CCNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)n1 ZINC001133868122 814313060 /nfs/dbraw/zinc/31/30/60/814313060.db2.gz ZKYGVFAJJWICCO-ONGXEEELSA-N 2 2 281.360 -0.218 20 0 CBADLP CC[C@@H](C(=O)NCC[NH2+]Cc1nnc(C)[nH]1)[NH+](C)C ZINC001133965982 814330994 /nfs/dbraw/zinc/33/09/94/814330994.db2.gz RYZFOZUKDPXISK-JTQLQIEISA-N 2 2 268.365 -0.341 20 0 CBADLP CN(C)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001134049328 814346832 /nfs/dbraw/zinc/34/68/32/814346832.db2.gz BYNGDEBYLHMDIB-GHMZBOCLSA-N 2 2 293.371 -0.682 20 0 CBADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[NH2+]CCCO ZINC001134043082 814347370 /nfs/dbraw/zinc/34/73/70/814347370.db2.gz RUYAQSNULXSJBN-GHMZBOCLSA-N 2 2 266.345 -0.388 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001134043113 814347624 /nfs/dbraw/zinc/34/76/24/814347624.db2.gz TVKXBFBKXFSDHT-GMTAPVOTSA-N 2 2 293.371 -0.636 20 0 CBADLP CCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001134399538 814379126 /nfs/dbraw/zinc/37/91/26/814379126.db2.gz CDSZOXPPESTVLK-SNVBAGLBSA-N 2 2 281.360 -0.427 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NCC[NH2+]C[C@H]1CCOC1 ZINC001134397099 814379724 /nfs/dbraw/zinc/37/97/24/814379724.db2.gz IYMOQDTUKIKIQX-SNVBAGLBSA-N 2 2 252.318 -0.306 20 0 CBADLP CCC[C@H](C)NC(=O)C[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001134397709 814379971 /nfs/dbraw/zinc/37/99/71/814379971.db2.gz UPOOWWNPPSHPOI-NSHDSACASA-N 2 2 295.387 -0.037 20 0 CBADLP CCN(C(=O)C[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001134397143 814381528 /nfs/dbraw/zinc/38/15/28/814381528.db2.gz JXXAEWNKPQGMBU-UHFFFAOYSA-N 2 2 293.371 -0.331 20 0 CBADLP CC(C)N(C)C(=O)[C@H](C)[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001134397153 814381575 /nfs/dbraw/zinc/38/15/75/814381575.db2.gz KDAHANHZBPGZON-NSHDSACASA-N 2 2 295.387 -0.087 20 0 CBADLP CC[C@H](C)NC(=O)[C@H](C)[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001134400679 814381720 /nfs/dbraw/zinc/38/17/20/814381720.db2.gz MXCZAXPWUDKNKT-QWRGUYRKSA-N 2 2 295.387 -0.039 20 0 CBADLP C[C@H](CC(=O)NCC[NH2+][C@H]1CCCNC1=O)n1cc[nH+]c1 ZINC001134499057 814387456 /nfs/dbraw/zinc/38/74/56/814387456.db2.gz VTPXWCCAYFMPBF-NEPJUHHUSA-N 2 2 293.371 -0.181 20 0 CBADLP CCNC(=O)C[NH2+]CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001134498516 814389374 /nfs/dbraw/zinc/38/93/74/814389374.db2.gz IMHWABMMXHRRSG-NSHDSACASA-N 2 2 281.360 -0.324 20 0 CBADLP CC[C@H]([NH2+]CCNC(=O)C[C@@H](C)n1cc[nH+]c1)C(N)=O ZINC001134517680 814391769 /nfs/dbraw/zinc/39/17/69/814391769.db2.gz ORKGIGQGIWIOFZ-MNOVXSKESA-N 2 2 281.360 -0.196 20 0 CBADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+][C@H]1CCN(C)C1=O ZINC001135072474 814434956 /nfs/dbraw/zinc/43/49/56/814434956.db2.gz XIBDFWALWIKDSA-JQWIXIFHSA-N 2 2 293.371 -0.475 20 0 CBADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[NH2+][C@H]1CCN(C)C1=O ZINC001135072474 814434958 /nfs/dbraw/zinc/43/49/58/814434958.db2.gz XIBDFWALWIKDSA-JQWIXIFHSA-N 2 2 293.371 -0.475 20 0 CBADLP C[C@H](O)C[NH2+]CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001135080090 814435318 /nfs/dbraw/zinc/43/53/18/814435318.db2.gz KUJIWFOXOBPIDZ-UWVGGRQHSA-N 2 2 254.334 -0.325 20 0 CBADLP C[C@H](O)C[NH2+]CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001135080090 814435322 /nfs/dbraw/zinc/43/53/22/814435322.db2.gz KUJIWFOXOBPIDZ-UWVGGRQHSA-N 2 2 254.334 -0.325 20 0 CBADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+]CCn1cncn1 ZINC001135079774 814435598 /nfs/dbraw/zinc/43/55/98/814435598.db2.gz CUGQPJBULPWBKH-NSHDSACASA-N 2 2 291.359 -0.414 20 0 CBADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[NH2+]CCn1cncn1 ZINC001135079774 814435604 /nfs/dbraw/zinc/43/56/04/814435604.db2.gz CUGQPJBULPWBKH-NSHDSACASA-N 2 2 291.359 -0.414 20 0 CBADLP CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001135580382 814495508 /nfs/dbraw/zinc/49/55/08/814495508.db2.gz NOMGPJPCABARRQ-GHMZBOCLSA-N 2 2 295.387 -0.039 20 0 CBADLP CCCCNC(=O)C[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001135756317 814519035 /nfs/dbraw/zinc/51/90/35/814519035.db2.gz YXBDEKPOTMYSIV-UHFFFAOYSA-N 2 2 281.360 -0.426 20 0 CBADLP CN1CCC[C@H]([NH2+]CCNC(=O)Cc2[nH]cc[nH+]2)C1=O ZINC001135754347 814520410 /nfs/dbraw/zinc/52/04/10/814520410.db2.gz BBYIUBPZEWHJLD-JTQLQIEISA-N 2 2 279.344 -0.721 20 0 CBADLP CC(C)N1CC[C@H]([NH2+]CCNC(=O)Cc2[nH]cc[nH+]2)C1=O ZINC001135760212 814521778 /nfs/dbraw/zinc/52/17/78/814521778.db2.gz JXUQAWNBLFNMEV-NSHDSACASA-N 2 2 293.371 -0.333 20 0 CBADLP CCN(C)C(=O)C[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001135760158 814521863 /nfs/dbraw/zinc/52/18/63/814521863.db2.gz JNRJHRLSPOMCMV-UHFFFAOYSA-N 2 2 267.333 -0.864 20 0 CBADLP CCC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001135759751 814522141 /nfs/dbraw/zinc/52/21/41/814522141.db2.gz DTPVNYKQTCUZTC-LLVKDONJSA-N 2 2 295.387 -0.037 20 0 CBADLP CC(C)N(C)C(=O)[C@@H](C)[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001135760085 814522333 /nfs/dbraw/zinc/52/23/33/814522333.db2.gz ILBNCSFYVXGKDV-LLVKDONJSA-N 2 2 295.387 -0.087 20 0 CBADLP C[C@H](C[C@@H](C)[NH2+]CC(N)=O)NC(=O)Cc1[nH]cc[nH+]1 ZINC001135798858 814528486 /nfs/dbraw/zinc/52/84/86/814528486.db2.gz MXOQLUBXAAWXFS-RKDXNWHRSA-N 2 2 267.333 -0.690 20 0 CBADLP C[C@H](C[C@H](C)NC(=O)Cc1[nH]cc[nH+]1)[NH2+]CCO ZINC001135798746 814528524 /nfs/dbraw/zinc/52/85/24/814528524.db2.gz LRZXQDRDJRKLHE-ZJUUUORDSA-N 2 2 254.334 -0.183 20 0 CBADLP C[C@@H](C[C@H](C)[NH2+]CC(N)=O)NC(=O)Cc1[nH]cc[nH+]1 ZINC001135798857 814528604 /nfs/dbraw/zinc/52/86/04/814528604.db2.gz MXOQLUBXAAWXFS-IUCAKERBSA-N 2 2 267.333 -0.690 20 0 CBADLP C[C@@H](C[C@H](C)[NH2+]CCO)NC(=O)Cc1[nH]cc[nH+]1 ZINC001135798744 814528959 /nfs/dbraw/zinc/52/89/59/814528959.db2.gz LRZXQDRDJRKLHE-UWVGGRQHSA-N 2 2 254.334 -0.183 20 0 CBADLP C[C@H](C[C@H](C)[NH2+]CCO)NC(=O)Cc1[nH]cc[nH+]1 ZINC001135798745 814529085 /nfs/dbraw/zinc/52/90/85/814529085.db2.gz LRZXQDRDJRKLHE-VHSXEESVSA-N 2 2 254.334 -0.183 20 0 CBADLP C[C@H](O)C[NH2+]CCNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001146508766 814839805 /nfs/dbraw/zinc/83/98/05/814839805.db2.gz DRGVYCFCWMEBOH-NSHDSACASA-N 2 2 289.339 -0.033 20 0 CBADLP C[C@@H](C[C@H](C)[NH2+]CC(=O)N(C)C)NC(=O)Cn1cc[nH+]c1 ZINC001146760469 814846519 /nfs/dbraw/zinc/84/65/19/814846519.db2.gz ZLSJPLINQPSUEH-RYUDHWBXSA-N 2 2 295.387 -0.156 20 0 CBADLP C[C@H](C[C@H](C)[NH2+]CC(=O)N(C)C)NC(=O)Cn1cc[nH+]c1 ZINC001146760468 814846968 /nfs/dbraw/zinc/84/69/68/814846968.db2.gz ZLSJPLINQPSUEH-NWDGAFQWSA-N 2 2 295.387 -0.156 20 0 CBADLP Cc1nonc1C[NH2+]CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147877730 814922505 /nfs/dbraw/zinc/92/25/05/814922505.db2.gz NYQZRLMAAVCGLJ-NSHDSACASA-N 2 2 281.360 -0.074 20 0 CBADLP Cc1nonc1C[NH2+]CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147877730 814922511 /nfs/dbraw/zinc/92/25/11/814922511.db2.gz NYQZRLMAAVCGLJ-NSHDSACASA-N 2 2 281.360 -0.074 20 0 CBADLP CCCC[C@H]([NH2+]CCNC(=O)Cc1c[nH+]cn1C)C(N)=O ZINC001147878223 814922586 /nfs/dbraw/zinc/92/25/86/814922586.db2.gz VMIODRZLFUYJAH-LBPRGKRZSA-N 2 2 295.387 -0.288 20 0 CBADLP CN(CC1CC[NH+](C)CC1)C(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160454329 815623319 /nfs/dbraw/zinc/62/33/19/815623319.db2.gz MNTWOIRZZPXTHB-HIFRSBDPSA-N 3 2 280.416 -0.262 20 0 CBADLP C[C@H]1C(=O)NCCN1C(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001160451356 815623911 /nfs/dbraw/zinc/62/39/11/815623911.db2.gz MSGFKQHXTJOQFA-CABZTGNLSA-N 2 2 276.340 -0.394 20 0 CBADLP C[NH2+]CC1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)CC1 ZINC001160456269 815625574 /nfs/dbraw/zinc/62/55/74/815625574.db2.gz FJJIVNLUNNVGMO-JSGCOSHPSA-N 3 2 266.389 -0.604 20 0 CBADLP CC(C)CC(=O)NC1CCN(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)CC1 ZINC001160498354 815630421 /nfs/dbraw/zinc/63/04/21/815630421.db2.gz JSBXVAUIQSCENR-YPMHNXCESA-N 2 2 296.415 -0.171 20 0 CBADLP CN(C)C(=O)CN(C)C(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001160503731 815631775 /nfs/dbraw/zinc/63/17/75/815631775.db2.gz DJDDOUKFQCAGTC-LBPRGKRZSA-N 2 2 278.356 -0.195 20 0 CBADLP N=c1nc([C@@H]2CCC[NH2+]2)ccn1C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001160539513 815633848 /nfs/dbraw/zinc/63/38/48/815633848.db2.gz VWEXYRNVQKQNHY-YWVKMMECSA-N 3 2 276.344 -0.884 20 0 CBADLP O=C(N1CCc2ncccc2C1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160548761 815635344 /nfs/dbraw/zinc/63/53/44/815635344.db2.gz KVVXICWRPXSYIV-DOMZBBRYSA-N 2 2 272.352 -0.082 20 0 CBADLP O=C(N1CCc2ncccc2C1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160548762 815635860 /nfs/dbraw/zinc/63/58/60/815635860.db2.gz KVVXICWRPXSYIV-IUODEOHRSA-N 2 2 272.352 -0.082 20 0 CBADLP CN(CC1(C)COC1)C(=O)[C@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001160549322 815637411 /nfs/dbraw/zinc/63/74/11/815637411.db2.gz PPQPMLCEUUFIEV-GFCCVEGCSA-N 2 2 284.404 -0.768 20 0 CBADLP O=C(N1CCC[C@H](CCO)C1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160610990 815644679 /nfs/dbraw/zinc/64/46/79/815644679.db2.gz QTXHZFWWSNDRMD-MBNYWOFBSA-N 2 2 267.373 -0.441 20 0 CBADLP C[NH+](C)C1(C)CN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)C1 ZINC001160645174 815651043 /nfs/dbraw/zinc/65/10/43/815651043.db2.gz PAYDVXHEUPHXNO-BREBYQMCSA-N 3 2 252.362 -0.629 20 0 CBADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN2C(=O)CC[C@@H]2C1 ZINC001160647263 815652143 /nfs/dbraw/zinc/65/21/43/815652143.db2.gz DHHWTGBZLWMHRG-MNOVXSKESA-N 2 2 277.328 -0.887 20 0 CBADLP COC(=O)CN(Cc1ccccc1)C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001160657048 815653019 /nfs/dbraw/zinc/65/30/19/815653019.db2.gz DAQSULYVPDJVIH-OLZOCXBDSA-N 2 2 291.351 -0.123 20 0 CBADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)N2CC[C@@H]([NH3+])[C@H](O)C2)cc1 ZINC001160656614 815653119 /nfs/dbraw/zinc/65/31/19/815653119.db2.gz ZIGJSHYKIVAART-JHJVBQTASA-N 3 2 278.356 -0.821 20 0 CBADLP O=C(N1CCC(=O)C(F)(F)C1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160663404 815654293 /nfs/dbraw/zinc/65/42/93/815654293.db2.gz GPLUIWPUMUZQSO-LDYMZIIASA-N 2 2 273.283 -0.625 20 0 CBADLP CN(CC[NH+]1CCCC1)C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001160689447 815656930 /nfs/dbraw/zinc/65/69/30/815656930.db2.gz WSEWAELHUUBSEK-BZPMIXESSA-N 3 2 266.389 -0.238 20 0 CBADLP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001160688728 815657191 /nfs/dbraw/zinc/65/71/91/815657191.db2.gz GBDHVFBNAYITOV-NEPJUHHUSA-N 3 2 289.383 -0.075 20 0 CBADLP CCN(CCn1cccn1)C(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160694351 815659255 /nfs/dbraw/zinc/65/92/55/815659255.db2.gz VBCWKDZCSOBCID-GXTWGEPZSA-N 2 2 277.372 -0.317 20 0 CBADLP CN(C[C@H]1CCC[NH2+]C1)C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001160695050 815659295 /nfs/dbraw/zinc/65/92/95/815659295.db2.gz HDZKTCZKHGZERQ-AAEUAGOBSA-N 3 2 279.388 -0.252 20 0 CBADLP CN(C[C@H]1CCC[NH2+]C1)C(=O)[C@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001160698659 815660622 /nfs/dbraw/zinc/66/06/22/815660622.db2.gz OHYPEDMBOBOSIE-GXTWGEPZSA-N 3 2 297.447 -0.805 20 0 CBADLP C[N@H+]1C[C@H]2CN(C(=O)[C@@H]([NH3+])Cc3c[nH+]c[nH]3)C[C@H]2C1 ZINC001160704897 815661667 /nfs/dbraw/zinc/66/16/67/815661667.db2.gz QHUQROXNCPHACU-UMNHJUIQSA-N 3 2 263.345 -0.701 20 0 CBADLP C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]([NH3+])Cc3c[nH+]c[nH]3)C[C@H]2C1 ZINC001160704897 815661670 /nfs/dbraw/zinc/66/16/70/815661670.db2.gz QHUQROXNCPHACU-UMNHJUIQSA-N 3 2 263.345 -0.701 20 0 CBADLP [NH3+]C1(C(=O)N2CCO[C@H](C(F)(F)F)C2)CC[NH2+]CC1 ZINC001160705827 815661750 /nfs/dbraw/zinc/66/17/50/815661750.db2.gz SMOYXRRJCOPIAA-QMMMGPOBSA-N 2 2 281.278 -0.143 20 0 CBADLP O=C(N1CCO[C@H](C(F)(F)F)C1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160704996 815662319 /nfs/dbraw/zinc/66/23/19/815662319.db2.gz JWHNLTHTEINXDX-WCABBAIRSA-N 2 2 293.289 -0.272 20 0 CBADLP O=C(N1CCC(n2cnnc2)CC1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160718328 815663681 /nfs/dbraw/zinc/66/36/81/815663681.db2.gz FPLXUXNKVJVTMT-FZMZJTMJSA-N 2 2 290.371 -0.607 20 0 CBADLP COC(=O)[C@H](C)N(C)C(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001160718901 815663731 /nfs/dbraw/zinc/66/37/31/815663731.db2.gz XBTMHNNHZGWSLR-IONNQARKSA-N 2 2 254.290 -0.701 20 0 CBADLP N[C@@]1(C(=O)N2CCC(n3cc[nH+]c3)CC2)CC[NH2+]C1 ZINC001160725866 815664697 /nfs/dbraw/zinc/66/46/97/815664697.db2.gz GHSSLCOIIRBFGV-ZDUSSCGKSA-N 2 2 263.345 -0.263 20 0 CBADLP [NH3+][C@H](Cc1c[nH]cn1)C(=O)N1CC[NH+]2CCC1CC2 ZINC001160726210 815665341 /nfs/dbraw/zinc/66/53/41/815665341.db2.gz LMSXFUZSAAABID-GFCCVEGCSA-N 2 2 263.345 -0.414 20 0 CBADLP [NH3+][C@H](Cc1cnc[nH]1)C(=O)N1CC[NH+]2CCC1CC2 ZINC001160726210 815665346 /nfs/dbraw/zinc/66/53/46/815665346.db2.gz LMSXFUZSAAABID-GFCCVEGCSA-N 2 2 263.345 -0.414 20 0 CBADLP N[C@H]1C[NH2+]C[C@@H]1C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC001160725850 815665613 /nfs/dbraw/zinc/66/56/13/815665613.db2.gz FSAKIYBLHFIURL-RYUDHWBXSA-N 2 2 263.345 -0.407 20 0 CBADLP [NH3+]CCNCC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC001160725864 815665856 /nfs/dbraw/zinc/66/58/56/815665856.db2.gz GHIBOZYYRPFMMI-UHFFFAOYSA-N 2 2 251.334 -0.405 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCc3ccc(=O)[nH]c3CC2)C1 ZINC001160756573 815666849 /nfs/dbraw/zinc/66/68/49/815666849.db2.gz QQNCWGOQHDHGAF-PWSUYJOCSA-N 2 2 276.340 -0.596 20 0 CBADLP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCc2[nH+]ccn2CC1 ZINC001160760760 815668765 /nfs/dbraw/zinc/66/87/65/815668765.db2.gz QZVSGMNZGMDHFF-LBPRGKRZSA-N 3 2 279.388 -0.015 20 0 CBADLP C[C@@H]1CO[C@@H]2CN(C(=O)[C@]34C[NH2+]C[C@@H]3CC[NH2+]4)C[C@H]12 ZINC001160756652 815669109 /nfs/dbraw/zinc/66/91/09/815669109.db2.gz TZZQPUBLPJQBQX-OJROKELRSA-N 2 2 265.357 -0.569 20 0 CBADLP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCc2[nH+]ccn2CC1 ZINC001160761020 815669168 /nfs/dbraw/zinc/66/91/68/815669168.db2.gz UEZPSKBZSTTYAQ-JTQLQIEISA-N 3 2 251.334 -0.666 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CC[C@@]2(C1)CC(F)(F)CO2 ZINC001160771685 815670470 /nfs/dbraw/zinc/67/04/70/815670470.db2.gz DGWSJALWRYWJMP-QXEWZRGKSA-N 2 2 275.299 -0.440 20 0 CBADLP COC(=O)C[C@H]1CCCN(C(=O)C2([NH3+])CC[NH2+]CC2)C1 ZINC001160832338 815674561 /nfs/dbraw/zinc/67/45/61/815674561.db2.gz FDOQZQFUOBXMEZ-LLVKDONJSA-N 2 2 283.372 -0.131 20 0 CBADLP Nc1ccc[nH+]c1N1CCN(C(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC001160825748 815674646 /nfs/dbraw/zinc/67/46/46/815674646.db2.gz JVSVWBXSWMIBLN-LBPRGKRZSA-N 2 2 291.355 -0.699 20 0 CBADLP COC1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001160909518 815686934 /nfs/dbraw/zinc/68/69/34/815686934.db2.gz YFQMSDMVNAXXNA-ARHMULMVSA-N 2 2 253.346 -0.156 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N(CCO)CC(F)(F)F ZINC001160909197 815687092 /nfs/dbraw/zinc/68/70/92/815687092.db2.gz QADGPLJEFRHQRU-VIFPVBQESA-N 2 2 294.277 -0.327 20 0 CBADLP NC(=S)C1CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])CC1 ZINC001161031974 815702044 /nfs/dbraw/zinc/70/20/44/815702044.db2.gz NSQIOTKABZSFPX-IUCAKERBSA-N 2 2 256.375 -0.942 20 0 CBADLP CN(C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2)[C@@H]1CCCC[C@H]1[NH3+] ZINC001161060774 815705578 /nfs/dbraw/zinc/70/55/78/815705578.db2.gz CWZFKWWWWWWIPJ-SKENRDBWSA-N 3 2 266.389 -0.064 20 0 CBADLP CN(C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)[C@H]1CCCC[C@H]1[NH3+] ZINC001161057851 815705791 /nfs/dbraw/zinc/70/57/91/815705791.db2.gz IAKPVJAGKLTUTQ-OFTGVCEQSA-N 3 2 266.389 -0.335 20 0 CBADLP CN(C(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2)[C@H]1CCCC[C@@H]1[NH3+] ZINC001161058223 815706062 /nfs/dbraw/zinc/70/60/62/815706062.db2.gz PXKDENBZIJLPCF-MNXVOIDGSA-N 3 2 266.389 -0.334 20 0 CBADLP COC(=O)[C@@H]([NH3+])CC(=O)N(C)[C@H]1CCCC[C@H]1[NH3+] ZINC001161062983 815707636 /nfs/dbraw/zinc/70/76/36/815707636.db2.gz LIHYNIJNVMSDMZ-UTLUCORTSA-N 2 2 257.334 -0.395 20 0 CBADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])C[C@@H]21 ZINC001161081029 815708647 /nfs/dbraw/zinc/70/86/47/815708647.db2.gz CJYBHJABNMPZCX-RHYQMDGZSA-N 3 2 252.362 -0.914 20 0 CBADLP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])C[C@@H]21 ZINC001161081029 815708653 /nfs/dbraw/zinc/70/86/53/815708653.db2.gz CJYBHJABNMPZCX-RHYQMDGZSA-N 3 2 252.362 -0.914 20 0 CBADLP Nc1ccc2c(c1)CN(C(=O)[C@@H]1C[C@H]([NH3+])C[NH2+]1)CC2 ZINC001161076693 815709351 /nfs/dbraw/zinc/70/93/51/815709351.db2.gz NFSMXCBWDCKPLL-STQMWFEESA-N 2 2 260.341 -0.157 20 0 CBADLP Nc1ccc[nH+]c1NCCN(CC[NH3+])N(O)N=O ZINC001161087275 815713090 /nfs/dbraw/zinc/71/30/90/815713090.db2.gz KQWVNBYNLASTOL-UHFFFAOYSA-N 2 2 255.282 -0.376 20 0 CBADLP CCN(C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)C1C[NH+](C)C1 ZINC001161136908 815718695 /nfs/dbraw/zinc/71/86/95/815718695.db2.gz AAEHMBXDZLGDHY-LBPRGKRZSA-N 3 2 254.378 -0.524 20 0 CBADLP CC(=O)N1CCC[C@H](N(C)C(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)C1 ZINC001161130693 815718843 /nfs/dbraw/zinc/71/88/43/815718843.db2.gz NJYZGMUUDAVNQA-YDHLFZDLSA-N 2 2 294.399 -0.593 20 0 CBADLP CC(=O)N1CCC[C@H](N(C)C(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)C1 ZINC001161130688 815719159 /nfs/dbraw/zinc/71/91/59/815719159.db2.gz NJYZGMUUDAVNQA-KCQAQPDRSA-N 2 2 294.399 -0.593 20 0 CBADLP CC[C@H](C)[C@@H]([NH3+])CC(=O)N1CC[C@@]([NH3+])(C(=O)OC)C1 ZINC001161138110 815719184 /nfs/dbraw/zinc/71/91/84/815719184.db2.gz NHCRTSCFOHXRCW-KWBADKCTSA-N 2 2 271.361 -0.147 20 0 CBADLP CCN(C(=O)[C@H](CCCC[NH3+])NC(C)=O)C1C[NH+](C)C1 ZINC001161136977 815719270 /nfs/dbraw/zinc/71/92/70/815719270.db2.gz ARNDTXMGPKKHIK-ZDUSSCGKSA-N 2 2 284.404 -0.217 20 0 CBADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)[C@@]2(C)CC[NH2+]C2)C1 ZINC001161139202 815720031 /nfs/dbraw/zinc/72/00/31/815720031.db2.gz NCFYURPWIDAKTR-NWDGAFQWSA-N 2 2 255.318 -0.911 20 0 CBADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@@]2(C)CC[NH2+]C2)C1 ZINC001161139203 815720637 /nfs/dbraw/zinc/72/06/37/815720637.db2.gz NCFYURPWIDAKTR-RYUDHWBXSA-N 2 2 255.318 -0.911 20 0 CBADLP CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C1C[NH+](C)C1 ZINC001161138289 815720985 /nfs/dbraw/zinc/72/09/85/815720985.db2.gz RCSASIYXBVVGBK-JTQLQIEISA-N 3 2 260.407 -0.832 20 0 CBADLP CCC[NH+]1C[C@@H]2CN(C(=O)[C@]34C[NH2+]C[C@@H]3CC[NH2+]4)C[C@H]2C1 ZINC001161175200 815724414 /nfs/dbraw/zinc/72/44/14/815724414.db2.gz IUDNWJKGSWDNQN-NYTXWWLZSA-N 3 2 292.427 -0.262 20 0 CBADLP CCC[N@H+]1C[C@H]2CN(C(=O)[C@]34C[NH2+]C[C@@H]3CC[NH2+]4)C[C@H]2C1 ZINC001161175197 815725155 /nfs/dbraw/zinc/72/51/55/815725155.db2.gz IUDNWJKGSWDNQN-FQLMCAECSA-N 3 2 292.427 -0.262 20 0 CBADLP CCC[N@@H+]1C[C@H]2CN(C(=O)[C@]34C[NH2+]C[C@@H]3CC[NH2+]4)C[C@H]2C1 ZINC001161175197 815725158 /nfs/dbraw/zinc/72/51/58/815725158.db2.gz IUDNWJKGSWDNQN-FQLMCAECSA-N 3 2 292.427 -0.262 20 0 CBADLP C[C@H]([NH2+]CCCNC(=O)[C@H]1CCn2c[nH+]cc2C1)C(N)=O ZINC001161215394 815728787 /nfs/dbraw/zinc/72/87/87/815728787.db2.gz SDKZIQVUGPTBOZ-QWRGUYRKSA-N 2 2 293.371 -0.585 20 0 CBADLP CN(C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])[C@H]1CCC2(C1)OCCO2 ZINC001161219631 815728980 /nfs/dbraw/zinc/72/89/80/815728980.db2.gz SCKVWZDRACYKOA-DCAQKATOSA-N 2 2 269.345 -0.713 20 0 CBADLP C[C@@H]1CN(C(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)[C@@H](C)CO1 ZINC001161235076 815732699 /nfs/dbraw/zinc/73/26/99/815732699.db2.gz MZGRRTPFJAGEPT-IQJOONFLSA-N 2 2 252.318 -0.085 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CC[C@](F)(C[NH3+])C1 ZINC001161238861 815734425 /nfs/dbraw/zinc/73/44/25/815734425.db2.gz DSAJQIXDLKNQJY-JQWIXIFHSA-N 3 2 269.324 -0.811 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCC[C@H](Oc3ncccn3)C2)C1 ZINC001161296386 815736917 /nfs/dbraw/zinc/73/69/17/815736917.db2.gz SBFFUGLKEQLBQU-WOPDTQHZSA-N 2 2 291.355 -0.464 20 0 CBADLP NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001161300590 815737830 /nfs/dbraw/zinc/73/78/30/815737830.db2.gz NOWAIDRUDGGRBW-SNVBAGLBSA-N 2 2 279.344 -0.973 20 0 CBADLP Cc1c[nH+]ccc1N1CCN(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)CC1 ZINC001161306490 815738662 /nfs/dbraw/zinc/73/86/62/815738662.db2.gz NJQWNIHTDUUWCZ-OLZOCXBDSA-N 3 2 289.383 -0.272 20 0 CBADLP Cc1c[nH+]ccc1N1CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])CC1 ZINC001161308558 815738683 /nfs/dbraw/zinc/73/86/83/815738683.db2.gz DDQHAQUXAVGVEB-STQMWFEESA-N 3 2 289.383 -0.415 20 0 CBADLP C[C@H](O)C[NH2+]CCCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001161310302 815739531 /nfs/dbraw/zinc/73/95/31/815739531.db2.gz TURISUDAXYXYAM-RYUDHWBXSA-N 2 2 280.372 -0.078 20 0 CBADLP O=C(NCCC[NH2+]CCO)[C@@H]1CCc2[nH+]ccn2C1 ZINC001161315623 815739609 /nfs/dbraw/zinc/73/96/09/815739609.db2.gz QXNHQEZVGQFTGB-LLVKDONJSA-N 2 2 266.345 -0.466 20 0 CBADLP C[C@H]([NH2+]CCCNC(=O)[C@H]1CCc2c[nH+]cn2C1)C(N)=O ZINC001161316677 815739742 /nfs/dbraw/zinc/73/97/42/815739742.db2.gz XZCFYIBONHGDBT-QWRGUYRKSA-N 2 2 293.371 -0.585 20 0 CBADLP CCN(C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2)[C@@H]1CCC[NH2+]C1 ZINC001161333154 815742957 /nfs/dbraw/zinc/74/29/57/815742957.db2.gz SAQPTJXSTQIGHS-BYNQJWBRSA-N 3 2 266.389 -0.191 20 0 CBADLP CC(C)N(C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)[C@H]1CC[NH2+]C1 ZINC001161350663 815745364 /nfs/dbraw/zinc/74/53/64/815745364.db2.gz AUCHTDFVHAQJMH-RYUDHWBXSA-N 3 2 265.361 -0.122 20 0 CBADLP [NH3+]CCC[C@H]([NH3+])C(=O)N1CC[C@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161378901 815749109 /nfs/dbraw/zinc/74/91/09/815749109.db2.gz NXTAYUSHXCVZMF-STQMWFEESA-N 4 2 283.420 -0.923 20 0 CBADLP Cc1c[nH+]ccc1O[C@@H]1CCN(C(=O)[C@@H](N)C[NH3+])C1 ZINC001161387609 815749256 /nfs/dbraw/zinc/74/92/56/815749256.db2.gz RSFZBOHHOUTHOK-MNOVXSKESA-N 2 2 264.329 -0.344 20 0 CBADLP Cc1cccnc1O[C@@H]1CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])C1 ZINC001161393847 815749962 /nfs/dbraw/zinc/74/99/62/815749962.db2.gz JIVDCGGUFPYLRJ-AGIUHOORSA-N 2 2 290.367 -0.084 20 0 CBADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001161412045 815752082 /nfs/dbraw/zinc/75/20/82/815752082.db2.gz FKLXWOSKLZKZHL-OHBODLIOSA-N 3 2 263.345 -0.525 20 0 CBADLP O=C(C[NH2+]C1CC[NH2+]CC1)N1CC[N@@H+]2CC[C@H]2C1 ZINC001161421953 815754127 /nfs/dbraw/zinc/75/41/27/815754127.db2.gz YSNDRMFTEVRXNC-LBPRGKRZSA-N 3 2 252.362 -0.756 20 0 CBADLP O=C(C[NH2+]C1CC[NH2+]CC1)N1CC[N@H+]2CC[C@H]2C1 ZINC001161421953 815754130 /nfs/dbraw/zinc/75/41/30/815754130.db2.gz YSNDRMFTEVRXNC-LBPRGKRZSA-N 3 2 252.362 -0.756 20 0 CBADLP COC(=O)[C@H]1CN(C(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)C[C@@H]1C ZINC001161459199 815757473 /nfs/dbraw/zinc/75/74/73/815757473.db2.gz AIHFWAGFTGNUAB-LSJOCFKGSA-N 2 2 280.328 -0.453 20 0 CBADLP CN1C(=O)CC[C@H]2CN(C(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)CC[C@@H]21 ZINC001161482847 815759663 /nfs/dbraw/zinc/75/96/63/815759663.db2.gz JNEAOVOWIZSFBS-USZNOCQGSA-N 2 2 280.372 -0.855 20 0 CBADLP CN1C(=O)CC[C@@H]2CN(C(=O)C3([NH3+])CC[NH2+]CC3)CC[C@H]21 ZINC001161482465 815760507 /nfs/dbraw/zinc/76/05/07/815760507.db2.gz HUQHJDZMTHQFMY-VXGBXAGGSA-N 2 2 294.399 -0.463 20 0 CBADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)N2C[C@@H]([NH3+])C3(COC3)C2)cc1 ZINC001161507280 815764608 /nfs/dbraw/zinc/76/46/08/815764608.db2.gz RTSILXDTIOTKRU-QWHCGFSZSA-N 3 2 290.367 -0.555 20 0 CBADLP Cc1nc2c(o1)CCN(C(=O)[C@@]13C[NH2+]C[C@H]1CC[NH2+]3)C2 ZINC001161522749 815765928 /nfs/dbraw/zinc/76/59/28/815765928.db2.gz GMHNZWCBMHAHBC-QMTHXVAHSA-N 2 2 276.340 -0.181 20 0 CBADLP Cc1nc2c(o1)CCN(C(=O)[C@@]13C[NH2+]C[C@@H]1CC[NH2+]3)C2 ZINC001161522748 815766383 /nfs/dbraw/zinc/76/63/83/815766383.db2.gz GMHNZWCBMHAHBC-IINYFYTJSA-N 2 2 276.340 -0.181 20 0 CBADLP C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001161526803 815767323 /nfs/dbraw/zinc/76/73/23/815767323.db2.gz KGHSRUFOLCLNME-YWVKMMECSA-N 3 2 251.334 -0.762 20 0 CBADLP CC(=O)[C@@H]1CCCN1C(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001161526851 815768031 /nfs/dbraw/zinc/76/80/31/815768031.db2.gz UAPYNJLYHDDJDW-GVXVVHGQSA-N 2 2 251.330 -0.482 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CC[NH2+]C2(CC2)C1 ZINC001161544636 815769230 /nfs/dbraw/zinc/76/92/30/815769230.db2.gz CKVFTFUECPJUKA-NSHDSACASA-N 3 2 263.345 -0.746 20 0 CBADLP CCn1nnc2c1[C@H](C(=O)N1CC[NH2+]C3(CC3)C1)C[NH2+]C2 ZINC001161542958 815769816 /nfs/dbraw/zinc/76/98/16/815769816.db2.gz MCWGFTKGHUKLTR-SNVBAGLBSA-N 2 2 290.371 -0.551 20 0 CBADLP COCCOC1CN(C(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)C1 ZINC001161569776 815771883 /nfs/dbraw/zinc/77/18/83/815771883.db2.gz BMSMWLPBDXAOHJ-NSHDSACASA-N 2 2 268.317 -0.847 20 0 CBADLP OCC(CO)Nc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC001161747828 815784304 /nfs/dbraw/zinc/78/43/04/815784304.db2.gz YDCWASWMSHQKOT-UHFFFAOYSA-N 2 2 252.318 -0.744 20 0 CBADLP [NH3+]C1CC[NH+](CCNc2ncc3c(n2)CC[NH2+]C3)CC1 ZINC001161867599 815791670 /nfs/dbraw/zinc/79/16/70/815791670.db2.gz SEQICWVELYVBQT-UHFFFAOYSA-N 3 2 276.388 -0.043 20 0 CBADLP CCOC(=O)[C@H]([NH3+])CNc1ncc(C)c(C2C[NH2+]C2)n1 ZINC001161951092 815797544 /nfs/dbraw/zinc/79/75/44/815797544.db2.gz XJIYPEFRWRRAPP-SNVBAGLBSA-N 2 2 279.344 -0.226 20 0 CBADLP CS(=O)(=O)N(CC[NH3+])c1ccn2cc(N)[nH+]c2c1 ZINC001162126806 815805462 /nfs/dbraw/zinc/80/54/62/815805462.db2.gz LSLVYUHVDXMOKD-UHFFFAOYSA-N 2 2 269.330 -0.359 20 0 CBADLP CS(=O)(=O)N(CC[NH3+])c1c[nH+]c2c(c1)CCCN2 ZINC001162134334 815806557 /nfs/dbraw/zinc/80/65/57/815806557.db2.gz OZRPKHSOIXFGDF-UHFFFAOYSA-N 2 2 270.358 -0.230 20 0 CBADLP C[N@@H+]1CCO[C@@H](CNc2ccnc(N3CC[NH2+]CC3)n2)C1 ZINC001162680666 815838567 /nfs/dbraw/zinc/83/85/67/815838567.db2.gz PCSQTCNGCFKVOV-LBPRGKRZSA-N 2 2 292.387 -0.371 20 0 CBADLP C[N@H+]1CCO[C@@H](CNc2ccnc(N3CC[NH2+]CC3)n2)C1 ZINC001162680666 815838575 /nfs/dbraw/zinc/83/85/75/815838575.db2.gz PCSQTCNGCFKVOV-LBPRGKRZSA-N 2 2 292.387 -0.371 20 0 CBADLP C[N@@H+]1CCc2ncnc(N[C@]34CC[NH2+][C@@H]3CC(=O)N4)c2C1 ZINC001163242874 815871640 /nfs/dbraw/zinc/87/16/40/815871640.db2.gz RBOJNXQNXNRVBJ-BXUZGUMPSA-N 2 2 288.355 -0.546 20 0 CBADLP C[N@H+]1CCc2ncnc(N[C@]34CC[NH2+][C@@H]3CC(=O)N4)c2C1 ZINC001163242874 815871648 /nfs/dbraw/zinc/87/16/48/815871648.db2.gz RBOJNXQNXNRVBJ-BXUZGUMPSA-N 2 2 288.355 -0.546 20 0 CBADLP Nc1cn2ccc(N[C@]34CC[NH2+][C@H]3CC(=O)N4)cc2[nH+]1 ZINC001163252002 815874084 /nfs/dbraw/zinc/87/40/84/815874084.db2.gz SOBJEOMZZVINPA-ZANVPECISA-N 2 2 272.312 -0.094 20 0 CBADLP CN1CCOc2c1cn[nH+]c2N[C@H]1C[NH2+][C@@H]2CCO[C@@H]21 ZINC001163336493 815878891 /nfs/dbraw/zinc/87/88/91/815878891.db2.gz HNZSBZWUPVLMLH-YWVKMMECSA-N 2 2 277.328 -0.154 20 0 CBADLP CCN(C)C(=O)C[NH2+]CCCNC(=O)CCn1cc[nH+]c1 ZINC001163588207 815890206 /nfs/dbraw/zinc/89/02/06/815890206.db2.gz DOZAZIKFZIXBAD-UHFFFAOYSA-N 2 2 295.387 -0.153 20 0 CBADLP CN1CC[C@H]([NH2+]CCCNC(=O)CCn2cc[nH+]c2)C1=O ZINC001163593560 815890286 /nfs/dbraw/zinc/89/02/86/815890286.db2.gz KPNDBXVWUHWZIA-LBPRGKRZSA-N 2 2 293.371 -0.400 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CCn1cc[nH+]c1 ZINC001163593370 815890509 /nfs/dbraw/zinc/89/05/09/815890509.db2.gz IPROVQHAKWWFGF-LLVKDONJSA-N 2 2 281.360 -0.496 20 0 CBADLP Cn1cc(C[NH2+]CCCNC(=O)CCn2cc[nH+]c2)nn1 ZINC001163593043 815890911 /nfs/dbraw/zinc/89/09/11/815890911.db2.gz CJBQPHNXOLEINF-UHFFFAOYSA-N 2 2 291.359 -0.302 20 0 CBADLP O=C(CCn1cc[nH+]c1)NCCC[NH2+][C@H]1CCNC1=O ZINC001163593534 815891100 /nfs/dbraw/zinc/89/11/00/815891100.db2.gz JVNCTCXSGWEICI-NSHDSACASA-N 2 2 279.344 -0.742 20 0 CBADLP C[C@H](C(N)=O)[N@H+](C)CCCNC(=O)Cc1c[nH+]cn1C ZINC001316859418 816895783 /nfs/dbraw/zinc/89/57/83/816895783.db2.gz OYOKWOJYYKHBLS-SNVBAGLBSA-N 2 2 281.360 -0.726 20 0 CBADLP C[C@H](C(N)=O)[N@@H+](C)CCCNC(=O)Cc1c[nH+]cn1C ZINC001316859418 816895793 /nfs/dbraw/zinc/89/57/93/816895793.db2.gz OYOKWOJYYKHBLS-SNVBAGLBSA-N 2 2 281.360 -0.726 20 0 CBADLP C[C@H](C(N)=O)[N@H+](CCCNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001316926743 816902557 /nfs/dbraw/zinc/90/25/57/816902557.db2.gz FIGLBXWMAGHDNL-LLVKDONJSA-N 2 2 293.371 -0.272 20 0 CBADLP C[C@H](C(N)=O)[N@@H+](CCCNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001316926743 816902562 /nfs/dbraw/zinc/90/25/62/816902562.db2.gz FIGLBXWMAGHDNL-LLVKDONJSA-N 2 2 293.371 -0.272 20 0 CBADLP O=C(C[NH+]1CCCC1)NCCC[NH+]1CCN(CCO)CC1 ZINC001316965680 816907842 /nfs/dbraw/zinc/90/78/42/816907842.db2.gz AYFYVAZFNDGXER-UHFFFAOYSA-N 2 2 298.431 -0.802 20 0 CBADLP Cc1cc(C[NH2+]CCN(C)C(=O)[C@H]2C[N@H+](C)CCO2)on1 ZINC001317578106 817019706 /nfs/dbraw/zinc/01/97/06/817019706.db2.gz FXGOQRRZPBNYOJ-CYBMUJFWSA-N 2 2 296.371 -0.138 20 0 CBADLP Cc1cc(C[NH2+]CCN(C)C(=O)[C@H]2C[N@@H+](C)CCO2)on1 ZINC001317578106 817019714 /nfs/dbraw/zinc/01/97/14/817019714.db2.gz FXGOQRRZPBNYOJ-CYBMUJFWSA-N 2 2 296.371 -0.138 20 0 CBADLP CN(CC[NH2+]CC(N)=O)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001317629284 817033569 /nfs/dbraw/zinc/03/35/69/817033569.db2.gz MNFRFQBBMYOZBQ-NXEZZACHSA-N 2 2 279.344 -0.943 20 0 CBADLP C[NH+](C)CCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(N)=O ZINC001317746161 817045811 /nfs/dbraw/zinc/04/58/11/817045811.db2.gz DCYWCKOPTRXTOH-BETUJISGSA-N 2 2 296.415 -0.121 20 0 CBADLP C[NH+](C)CCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(N)=O ZINC001317746161 817045819 /nfs/dbraw/zinc/04/58/19/817045819.db2.gz DCYWCKOPTRXTOH-BETUJISGSA-N 2 2 296.415 -0.121 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NC1C[NH+](CCOCCO)C1 ZINC001318088883 817074675 /nfs/dbraw/zinc/07/46/75/817074675.db2.gz FSCUQAXLLLZDEJ-UHFFFAOYSA-N 2 2 273.377 -0.864 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NC1C[NH+](CCOCCO)C1 ZINC001318088883 817074680 /nfs/dbraw/zinc/07/46/80/817074680.db2.gz FSCUQAXLLLZDEJ-UHFFFAOYSA-N 2 2 273.377 -0.864 20 0 CBADLP C[C@@H](O)C[NH2+]C[C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001319270880 817183153 /nfs/dbraw/zinc/18/31/53/817183153.db2.gz SYJOWPWRTSBXBL-WDEREUQCSA-N 2 2 268.361 -0.315 20 0 CBADLP Cn1ncc2c1nc[nH+]c2N1CCC([NH3+])(CO)CC1 ZINC001319519777 817213554 /nfs/dbraw/zinc/21/35/54/817213554.db2.gz ZBJDBEOTMWOHFE-UHFFFAOYSA-N 2 2 262.317 -0.347 20 0 CBADLP CC[C@H](C(N)=O)[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC001319606174 817223652 /nfs/dbraw/zinc/22/36/52/817223652.db2.gz HAWNIDMTJRVTMP-QWHCGFSZSA-N 2 2 268.405 -0.038 20 0 CBADLP CC[C@H](C(N)=O)[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC001319606174 817223656 /nfs/dbraw/zinc/22/36/56/817223656.db2.gz HAWNIDMTJRVTMP-QWHCGFSZSA-N 2 2 268.405 -0.038 20 0 CBADLP C[C@H](C[NH2+][C@H](C)C(N)=O)N(C)C(=O)Cn1cc[nH+]c1 ZINC001319591986 817223821 /nfs/dbraw/zinc/22/38/21/817223821.db2.gz GBKXXFIQLXRBNN-NXEZZACHSA-N 2 2 267.333 -0.807 20 0 CBADLP C[C@@H](C[NH2+][C@@H](C)C(N)=O)N(C)C(=O)Cn1cc[nH+]c1 ZINC001319591993 817224001 /nfs/dbraw/zinc/22/40/01/817224001.db2.gz GBKXXFIQLXRBNN-UWVGGRQHSA-N 2 2 267.333 -0.807 20 0 CBADLP C[C@@H]([NH2+]C/C=C/CNC(=O)CCc1c[nH+]cn1C)C(N)=O ZINC001321370733 817491478 /nfs/dbraw/zinc/49/14/78/817491478.db2.gz FUOJQTTXIXTDRY-PGLGOXFNSA-N 2 2 293.371 -0.512 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC/C=C/C[NH2+]CC(=O)N1CCC1 ZINC001321432427 817498834 /nfs/dbraw/zinc/49/88/34/817498834.db2.gz OEQZRXOCFBVXHE-OWOJBTEDSA-N 2 2 291.355 -0.623 20 0 CBADLP [NH3+]CCON=c1cc(C[N@@H+]2CCNC(=O)C2)cc[nH]1 ZINC001164424643 819913556 /nfs/dbraw/zinc/91/35/56/819913556.db2.gz YIPKWPPEOCYFMS-UHFFFAOYSA-N 2 2 265.317 -0.684 20 0 CBADLP [NH3+]CCON=c1cc(C[N@H+]2CCNC(=O)C2)cc[nH]1 ZINC001164424643 819913564 /nfs/dbraw/zinc/91/35/64/819913564.db2.gz YIPKWPPEOCYFMS-UHFFFAOYSA-N 2 2 265.317 -0.684 20 0 CBADLP Cn1nnc(C[NH2+]CCCNC(=O)CCC[NH+](C)C)n1 ZINC001165367306 819958115 /nfs/dbraw/zinc/95/81/15/819958115.db2.gz RGPBCRJIOWPOTB-UHFFFAOYSA-N 2 2 283.380 -0.852 20 0 CBADLP COC(=O)[C@@H]1C[NH2+]CCN1c1ncnc2c1C[NH2+]C2 ZINC001165435540 819962437 /nfs/dbraw/zinc/96/24/37/819962437.db2.gz CVKDDDCVWNMBJS-JTQLQIEISA-N 2 2 263.301 -0.969 20 0 CBADLP CNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001166402623 819998619 /nfs/dbraw/zinc/99/86/19/819998619.db2.gz QSVGICCUSYZDFS-SNVBAGLBSA-N 2 2 293.371 -0.329 20 0 CBADLP NC(=O)[C@@H]1CN(c2cc(-n3ccnc3)cc[nH+]2)CC[NH2+]1 ZINC001166724958 820029080 /nfs/dbraw/zinc/02/90/80/820029080.db2.gz VZLRUHYFHQBVIM-NSHDSACASA-N 2 2 272.312 -0.469 20 0 CBADLP CCN1CC[C@@H]([NH2+]CCCNC(=O)Cc2c[nH]c[nH+]2)C1=O ZINC001167346156 820081406 /nfs/dbraw/zinc/08/14/06/820081406.db2.gz JOVILGGPHUREPQ-GFCCVEGCSA-N 2 2 293.371 -0.331 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NCCC[NH2+]CCn1cncn1 ZINC001167350278 820081902 /nfs/dbraw/zinc/08/19/02/820081902.db2.gz RVDYXIXJJJNJIY-UHFFFAOYSA-N 2 2 277.332 -0.660 20 0 CBADLP C[C@H]([NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1)C(=O)NC1CC1 ZINC001167349539 820082799 /nfs/dbraw/zinc/08/27/99/820082799.db2.gz ADFWZXIESCEHIN-JTQLQIEISA-N 2 2 293.371 -0.285 20 0 CBADLP C[C@H]([NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1)C(=O)N(C)C ZINC001167349541 820083781 /nfs/dbraw/zinc/08/37/81/820083781.db2.gz AFBCTEJQTGLAHG-JTQLQIEISA-N 2 2 281.360 -0.475 20 0 CBADLP CC[C@H](C)NC(=O)C[NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001167355702 820086024 /nfs/dbraw/zinc/08/60/24/820086024.db2.gz WJJAWPCSDBSMGB-NSHDSACASA-N 2 2 295.387 -0.037 20 0 CBADLP C[C@H](CC(=O)NCCC[NH2+][C@H]1CCNC1=O)n1cc[nH+]c1 ZINC001167429782 820088978 /nfs/dbraw/zinc/08/89/78/820088978.db2.gz XNGTWRZALVMDIW-NEPJUHHUSA-N 2 2 293.371 -0.181 20 0 CBADLP C[C@@H](CC(=O)NCCC[NH2+]CC(N)=O)n1cc[nH+]c1 ZINC001167427915 820089134 /nfs/dbraw/zinc/08/91/34/820089134.db2.gz CVTMMYSPVOEMNW-JTQLQIEISA-N 2 2 267.333 -0.585 20 0 CBADLP C[C@H](CC(=O)NCCC[NH2+][C@@H]1CCNC1=O)n1cc[nH+]c1 ZINC001167429785 820089162 /nfs/dbraw/zinc/08/91/62/820089162.db2.gz XNGTWRZALVMDIW-VXGBXAGGSA-N 2 2 293.371 -0.181 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCC[NH2+]CC(N)=O ZINC001167978208 820137048 /nfs/dbraw/zinc/13/70/48/820137048.db2.gz KUKTYNRJYITOGF-SECBINFHSA-N 2 2 267.333 -0.831 20 0 CBADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCC[NH2+]CC(N)=O ZINC001167978208 820137055 /nfs/dbraw/zinc/13/70/55/820137055.db2.gz KUKTYNRJYITOGF-SECBINFHSA-N 2 2 267.333 -0.831 20 0 CBADLP COC[C@@H](O)C[NH2+]CCCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001167980066 820139030 /nfs/dbraw/zinc/13/90/30/820139030.db2.gz ZVIPSJPBHKTRSJ-YPMHNXCESA-N 2 2 298.387 -0.309 20 0 CBADLP COC[C@@H](O)C[NH2+]CCCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001167980066 820139034 /nfs/dbraw/zinc/13/90/34/820139034.db2.gz ZVIPSJPBHKTRSJ-YPMHNXCESA-N 2 2 298.387 -0.309 20 0 CBADLP NC(=O)CNC(=O)C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168370621 820158994 /nfs/dbraw/zinc/15/89/94/820158994.db2.gz CJMMFTMBJXMSNG-UHFFFAOYSA-N 2 2 268.361 -0.948 20 0 CBADLP C[C@H]([NH2+]CC1(CCNC(=O)Cn2cc[nH+]c2)CC1)C(N)=O ZINC001168493014 820164136 /nfs/dbraw/zinc/16/41/36/820164136.db2.gz GXYFWWMTGYGVRZ-NSHDSACASA-N 2 2 293.371 -0.367 20 0 CBADLP C[NH+]1CCN(C(=[NH2+])Nc2ccc(CC(N)=O)nn2)CC1 ZINC001168736938 820170108 /nfs/dbraw/zinc/17/01/08/820170108.db2.gz SYKVHXNQIQJWNV-UHFFFAOYSA-N 2 2 277.332 -0.902 20 0 CBADLP C[NH+]1CCN(C(=[NH2+])Nc2ccc(C(N)=O)nc2)CC1 ZINC001168737405 820172594 /nfs/dbraw/zinc/17/25/94/820172594.db2.gz UZSDVEWWOOSPRC-UHFFFAOYSA-N 2 2 262.317 -0.225 20 0 CBADLP CC[NH+](CC)CC(=O)NCCC[NH2+]Cc1nnn(C)n1 ZINC001168755057 820174611 /nfs/dbraw/zinc/17/46/11/820174611.db2.gz GUQUDFCTRNSHRN-UHFFFAOYSA-N 2 2 283.380 -0.852 20 0 CBADLP [NH3+]Cc1nc(=O)[nH]n1-c1cccnc1OC1C[NH2+]C1 ZINC001168760818 820178608 /nfs/dbraw/zinc/17/86/08/820178608.db2.gz GRYDOLBIWMBMMN-UHFFFAOYSA-N 2 2 262.273 -0.823 20 0 CBADLP CCN(C)c1cc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)ncn1 ZINC001169070893 820203532 /nfs/dbraw/zinc/20/35/32/820203532.db2.gz FGENMCGZXGJGFC-SNVBAGLBSA-N 2 2 276.344 -0.020 20 0 CBADLP COCc1cc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)ncn1 ZINC001169067061 820203739 /nfs/dbraw/zinc/20/37/39/820203739.db2.gz NFTRUSAKQZPVLA-SECBINFHSA-N 2 2 263.301 -0.329 20 0 CBADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ncc2c(n1)NC(=O)C2 ZINC001169067631 820203962 /nfs/dbraw/zinc/20/39/62/820203962.db2.gz VCMRYAUHVFMBEZ-MRVPVSSYSA-N 2 2 274.284 -0.981 20 0 CBADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccc2c(n1)NCCO2 ZINC001169073791 820204514 /nfs/dbraw/zinc/20/45/14/820204514.db2.gz CPFDCNDDSQPZLQ-SECBINFHSA-N 2 2 275.312 -0.066 20 0 CBADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccc(OC2C[NH2+]C2)cn1 ZINC001169075890 820207046 /nfs/dbraw/zinc/20/70/46/820207046.db2.gz ZBJVEMCNGHCPAO-SNVBAGLBSA-N 3 2 289.339 -0.520 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](Nc2ccc3c(n2)OCC[NH2+]C3)C[NH2+]1 ZINC001169130165 820210184 /nfs/dbraw/zinc/21/01/84/820210184.db2.gz TXDNHUDZPJBEGS-MNOVXSKESA-N 2 2 292.339 -0.121 20 0 CBADLP CCN(C)C(=O)C[NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001169205261 820213713 /nfs/dbraw/zinc/21/37/13/820213713.db2.gz WMJNYWKZNDVZJB-UHFFFAOYSA-N 2 2 281.360 -0.474 20 0 CBADLP Cn1nncc1C[NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001169204130 820213895 /nfs/dbraw/zinc/21/38/95/820213895.db2.gz IJBSVZDAAAGAEQ-UHFFFAOYSA-N 2 2 277.332 -0.623 20 0 CBADLP CC[NH+]1CCC([NH2+][C@@H](C)C(=O)NCC(N)=O)CC1 ZINC001169241251 820216636 /nfs/dbraw/zinc/21/66/36/820216636.db2.gz RITQEMLZXMBHOB-VIFPVBQESA-N 2 2 256.350 -0.950 20 0 CBADLP CC(=O)N1CC[C@@H](NC(=[NH2+])N2CC[NH+](C)CC2)C1 ZINC001169501668 820248479 /nfs/dbraw/zinc/24/84/79/820248479.db2.gz BSZCYFYPIQKGMD-LLVKDONJSA-N 2 2 253.350 -0.621 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNc1ccnc(N2CC[NH2+]CC2)n1 ZINC001169651331 820261338 /nfs/dbraw/zinc/26/13/38/820261338.db2.gz MUDUROIQSKEBAF-LBPRGKRZSA-N 2 2 292.387 -0.371 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNc1ccnc(N2CC[NH2+]CC2)n1 ZINC001169651331 820261348 /nfs/dbraw/zinc/26/13/48/820261348.db2.gz MUDUROIQSKEBAF-LBPRGKRZSA-N 2 2 292.387 -0.371 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNc1ccnc(N2CC[NH2+]CC2)n1 ZINC001169651330 820261722 /nfs/dbraw/zinc/26/17/22/820261722.db2.gz MUDUROIQSKEBAF-GFCCVEGCSA-N 2 2 292.387 -0.371 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNc1ccnc(N2CC[NH2+]CC2)n1 ZINC001169651330 820261734 /nfs/dbraw/zinc/26/17/34/820261734.db2.gz MUDUROIQSKEBAF-GFCCVEGCSA-N 2 2 292.387 -0.371 20 0 CBADLP CC[C@]([NH3+])(CO)Nc1cc(N2CC[NH+](C)CC2)ncn1 ZINC001170856845 820329066 /nfs/dbraw/zinc/32/90/66/820329066.db2.gz BSMLQWKNBQEGHI-CYBMUJFWSA-N 2 2 280.376 -0.302 20 0 CBADLP C[C@H]1CC[N@H+](CC(=O)N2CC[NH+](C)[C@@H](CO)C2)C1 ZINC001171138270 820347780 /nfs/dbraw/zinc/34/77/80/820347780.db2.gz HDZRZBQQDJACGC-NWDGAFQWSA-N 2 2 255.362 -0.537 20 0 CBADLP C[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)[C@@H](CO)C2)C1 ZINC001171138270 820347789 /nfs/dbraw/zinc/34/77/89/820347789.db2.gz HDZRZBQQDJACGC-NWDGAFQWSA-N 2 2 255.362 -0.537 20 0 CBADLP C[C@H]1CC[NH+](CC(=O)N2CC[N@H+](C)[C@@H](CO)C2)C1 ZINC001171138270 820347796 /nfs/dbraw/zinc/34/77/96/820347796.db2.gz HDZRZBQQDJACGC-NWDGAFQWSA-N 2 2 255.362 -0.537 20 0 CBADLP C[C@H]1CC[NH+](CC(=O)N2CC[N@@H+](C)[C@@H](CO)C2)C1 ZINC001171138270 820347806 /nfs/dbraw/zinc/34/78/06/820347806.db2.gz HDZRZBQQDJACGC-NWDGAFQWSA-N 2 2 255.362 -0.537 20 0 CBADLP [NH3+]C[C@H]1C[N@@H+]([C@H]2CCN(C3CC3)C(=O)C2)CCO1 ZINC001172000600 820374726 /nfs/dbraw/zinc/37/47/26/820374726.db2.gz QODYJMVCBJGRCV-RYUDHWBXSA-N 2 2 253.346 -0.201 20 0 CBADLP [NH3+]C[C@H]1C[N@H+]([C@H]2CCN(C3CC3)C(=O)C2)CCO1 ZINC001172000600 820374737 /nfs/dbraw/zinc/37/47/37/820374737.db2.gz QODYJMVCBJGRCV-RYUDHWBXSA-N 2 2 253.346 -0.201 20 0 CBADLP CN1[C@H]2COC[C@@H]1CC([NH2+]C1(CO)CC[NH+](C)CC1)C2 ZINC001172135406 820383551 /nfs/dbraw/zinc/38/35/51/820383551.db2.gz UEELLHYWLAVNKL-AGUYFDCRSA-N 2 2 283.416 -0.106 20 0 CBADLP [NH3+]CC1([NH2+][C@H]2CCC[C@@H](n3ncnn3)C2)COC1 ZINC001173742665 820410282 /nfs/dbraw/zinc/41/02/82/820410282.db2.gz ONDZPIQENVASCF-VHSXEESVSA-N 2 2 252.322 -0.526 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCCC[NH2+]Cc1cnnn1C ZINC001174682745 820414895 /nfs/dbraw/zinc/41/48/95/820414895.db2.gz MGUSGGVRIZXMIG-UHFFFAOYSA-N 2 2 291.359 -0.315 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCCC[NH2+][C@H](C)C(=O)N(C)C ZINC001174692489 820414971 /nfs/dbraw/zinc/41/49/71/820414971.db2.gz UOFMLWUTTGRWDQ-LLVKDONJSA-N 2 2 295.387 -0.167 20 0 CBADLP CC[C@H]([NH2+]CCCNC(=O)Cc1[nH]c[nH+]c1C)C(N)=O ZINC001174691037 820415143 /nfs/dbraw/zinc/41/51/43/820415143.db2.gz GTYDMCNOPPILNM-JTQLQIEISA-N 2 2 281.360 -0.380 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCCC[NH2+]C[C@@H](C)O ZINC001174683952 820415727 /nfs/dbraw/zinc/41/57/27/820415727.db2.gz XDPRXFFSNHMFEA-SECBINFHSA-N 2 2 254.334 -0.263 20 0 CBADLP C[C@H](CCCC[NH2+]CC(N)=O)NC(=O)Cc1c[nH+]cn1C ZINC001176167425 820442781 /nfs/dbraw/zinc/44/27/81/820442781.db2.gz ZKIFDYKRAJWSAM-LLVKDONJSA-N 2 2 295.387 -0.288 20 0 CBADLP O=C(NCC[NH2+]CCO)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC001176969790 820484257 /nfs/dbraw/zinc/48/42/57/820484257.db2.gz GNHNJVFFEDCEHP-CYBMUJFWSA-N 2 2 292.383 -0.004 20 0 CBADLP C[NH+](C)[C@@H](C(=O)NCCC[NH2+]CCO)c1cccnc1 ZINC001177064443 820490663 /nfs/dbraw/zinc/49/06/63/820490663.db2.gz QFZQBDBWPDGRBX-CYBMUJFWSA-N 2 2 280.372 -0.228 20 0 CBADLP CC[N@@H+]1CCO[C@@H]2CCN(C(=O)COCC[NH+](C)C)C[C@H]21 ZINC001177138020 820493964 /nfs/dbraw/zinc/49/39/64/820493964.db2.gz HTWTWINPVHEFIN-ZIAGYGMSSA-N 2 2 299.415 -0.114 20 0 CBADLP CC[N@H+]1CCO[C@@H]2CCN(C(=O)COCC[NH+](C)C)C[C@H]21 ZINC001177138020 820493972 /nfs/dbraw/zinc/49/39/72/820493972.db2.gz HTWTWINPVHEFIN-ZIAGYGMSSA-N 2 2 299.415 -0.114 20 0 CBADLP CC[N@H+](C)CCC(=O)N1CC[C@@H]2OCC[NH+](CCO)[C@@H]2C1 ZINC001177125531 820495025 /nfs/dbraw/zinc/49/50/25/820495025.db2.gz RHSOJOBPZLEERG-KGLIPLIRSA-N 2 2 299.415 -0.378 20 0 CBADLP CC[N@@H+](C)CCC(=O)N1CC[C@@H]2OCC[NH+](CCO)[C@@H]2C1 ZINC001177125531 820495032 /nfs/dbraw/zinc/49/50/32/820495032.db2.gz RHSOJOBPZLEERG-KGLIPLIRSA-N 2 2 299.415 -0.378 20 0 CBADLP CC[NH+](C)CCC(=O)N1CC[C@@H]2OCC[N@H+](CCO)[C@@H]2C1 ZINC001177125531 820495034 /nfs/dbraw/zinc/49/50/34/820495034.db2.gz RHSOJOBPZLEERG-KGLIPLIRSA-N 2 2 299.415 -0.378 20 0 CBADLP CC[NH+](C)CCC(=O)N1CC[C@@H]2OCC[N@@H+](CCO)[C@@H]2C1 ZINC001177125531 820495043 /nfs/dbraw/zinc/49/50/43/820495043.db2.gz RHSOJOBPZLEERG-KGLIPLIRSA-N 2 2 299.415 -0.378 20 0 CBADLP COC[C@@H](O)C[NH2+]CCCNC(=O)CCCn1cc[nH+]c1 ZINC001177351479 820505778 /nfs/dbraw/zinc/50/57/78/820505778.db2.gz DOKYFOQVXBNTOL-ZDUSSCGKSA-N 2 2 298.387 -0.234 20 0 CBADLP Cn1cncc1C[NH2+]CCCNC(=O)Cn1cc[nH+]c1 ZINC001177400742 820512180 /nfs/dbraw/zinc/51/21/80/820512180.db2.gz LLVXURRAJXWHRH-UHFFFAOYSA-N 2 2 276.344 -0.087 20 0 CBADLP N=c1cc(C[NH3+])ncn1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001178119534 820565094 /nfs/dbraw/zinc/56/50/94/820565094.db2.gz RKGRESWWHJNFRA-SECBINFHSA-N 2 2 272.312 -0.079 20 0 CBADLP C[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH+]1CC2(COC2)C1 ZINC001178702766 820598086 /nfs/dbraw/zinc/59/80/86/820598086.db2.gz YQLVLWMHUDQTQO-GFCCVEGCSA-N 2 2 267.373 -0.081 20 0 CBADLP C[N@H+]1CCCC[C@@H]1C(=O)NCC[NH+]1CC2(COC2)C1 ZINC001178702766 820598089 /nfs/dbraw/zinc/59/80/89/820598089.db2.gz YQLVLWMHUDQTQO-GFCCVEGCSA-N 2 2 267.373 -0.081 20 0 CBADLP C[C@H]1[C@@H]([NH2+]Cc2nnn(C)n2)CCN1C(=O)CC[NH+](C)C ZINC001179472777 820630306 /nfs/dbraw/zinc/63/03/06/820630306.db2.gz XTHDMQALZJVOMO-QWRGUYRKSA-N 2 2 295.391 -0.759 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H]1C ZINC001179617670 820636661 /nfs/dbraw/zinc/63/66/61/820636661.db2.gz KXKIMNZJVBIMIF-NHCYSSNCSA-N 2 2 293.371 -0.334 20 0 CBADLP NC(=O)C[NH2+]CCCCCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001179689481 820638419 /nfs/dbraw/zinc/63/84/19/820638419.db2.gz DAIBJGNLOSFDGQ-UHFFFAOYSA-N 2 2 281.360 -0.296 20 0 CBADLP COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@H]1C ZINC001179783606 820639925 /nfs/dbraw/zinc/63/99/25/820639925.db2.gz XQUXLXMROXKBAQ-TUAOUCFPSA-N 2 2 296.371 -0.462 20 0 CBADLP C[C@H](C(=O)N[C@@H](CO)Cc1c[nH+]c[nH]1)[NH+]1CCCC1 ZINC001180583294 820695258 /nfs/dbraw/zinc/69/52/58/820695258.db2.gz XTOPMTNPQRLGFZ-ZYHUDNBSSA-N 2 2 266.345 -0.086 20 0 CBADLP C[N@H+](C1CN(C(=O)[C@@H]2C[NH+](C)CCO2)C1)[C@H]1CCOC1 ZINC001180759815 820717585 /nfs/dbraw/zinc/71/75/85/820717585.db2.gz RDPAAYXCQODHGZ-AAEUAGOBSA-N 2 2 283.372 -0.752 20 0 CBADLP C[N@@H+](C1CN(C(=O)[C@@H]2C[NH+](C)CCO2)C1)[C@H]1CCOC1 ZINC001180759815 820717592 /nfs/dbraw/zinc/71/75/92/820717592.db2.gz RDPAAYXCQODHGZ-AAEUAGOBSA-N 2 2 283.372 -0.752 20 0 CBADLP C[NH+](C1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1)[C@H]1CCOC1 ZINC001180759815 820717597 /nfs/dbraw/zinc/71/75/97/820717597.db2.gz RDPAAYXCQODHGZ-AAEUAGOBSA-N 2 2 283.372 -0.752 20 0 CBADLP C[NH+](C1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1)[C@H]1CCOC1 ZINC001180759815 820717603 /nfs/dbraw/zinc/71/76/03/820717603.db2.gz RDPAAYXCQODHGZ-AAEUAGOBSA-N 2 2 283.372 -0.752 20 0 CBADLP C[NH+]1CCC[C@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]21 ZINC001180760579 820717730 /nfs/dbraw/zinc/71/77/30/820717730.db2.gz WVFPZHXWJWQCIK-XQQFMLRXSA-N 2 2 267.373 -0.130 20 0 CBADLP C[NH+]1CCC[C@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]21 ZINC001180760579 820717734 /nfs/dbraw/zinc/71/77/34/820717734.db2.gz WVFPZHXWJWQCIK-XQQFMLRXSA-N 2 2 267.373 -0.130 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N2C[C@@H]3CCC[N@H+](C)[C@@H]3C2)C1 ZINC001180760579 820717737 /nfs/dbraw/zinc/71/77/37/820717737.db2.gz WVFPZHXWJWQCIK-XQQFMLRXSA-N 2 2 267.373 -0.130 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N2C[C@@H]3CCC[N@@H+](C)[C@@H]3C2)C1 ZINC001180760579 820717743 /nfs/dbraw/zinc/71/77/43/820717743.db2.gz WVFPZHXWJWQCIK-XQQFMLRXSA-N 2 2 267.373 -0.130 20 0 CBADLP C[NH+](C)C[C@H]1COCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001180759265 820718810 /nfs/dbraw/zinc/71/88/10/820718810.db2.gz MKDIGRPMXKANFN-RYUDHWBXSA-N 2 2 271.361 -0.894 20 0 CBADLP C[NH+](C)C[C@H]1COCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001180759265 820718819 /nfs/dbraw/zinc/71/88/19/820718819.db2.gz MKDIGRPMXKANFN-RYUDHWBXSA-N 2 2 271.361 -0.894 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)Nc2cccnc2C[NH3+])C1 ZINC001180763663 820723442 /nfs/dbraw/zinc/72/34/42/820723442.db2.gz KSDPBZJFELTJTI-NSHDSACASA-N 2 2 250.302 -0.191 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)Nc2cccnc2C[NH3+])C1 ZINC001180763663 820723448 /nfs/dbraw/zinc/72/34/48/820723448.db2.gz KSDPBZJFELTJTI-NSHDSACASA-N 2 2 250.302 -0.191 20 0 CBADLP C[NH+]1CCC[C@@](C)(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001180763398 820724869 /nfs/dbraw/zinc/72/48/69/820724869.db2.gz WAUPNENUOMGCNG-DGCLKSJQSA-N 2 2 255.362 -0.083 20 0 CBADLP C[NH+]1CCC[C@@](C)(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001180763398 820724872 /nfs/dbraw/zinc/72/48/72/820724872.db2.gz WAUPNENUOMGCNG-DGCLKSJQSA-N 2 2 255.362 -0.083 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)N[C@]2(C)CCC[N@H+](C)C2)C1 ZINC001180763398 820724876 /nfs/dbraw/zinc/72/48/76/820724876.db2.gz WAUPNENUOMGCNG-DGCLKSJQSA-N 2 2 255.362 -0.083 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)N[C@]2(C)CCC[N@@H+](C)C2)C1 ZINC001180763398 820724880 /nfs/dbraw/zinc/72/48/80/820724880.db2.gz WAUPNENUOMGCNG-DGCLKSJQSA-N 2 2 255.362 -0.083 20 0 CBADLP C[NH+](C)C[C@@H]1COCCN1C(=O)Cc1cc[nH+]c(N)c1 ZINC001181255325 820767586 /nfs/dbraw/zinc/76/75/86/820767586.db2.gz LEZDXMZWJVWIBR-GFCCVEGCSA-N 2 2 278.356 -0.005 20 0 CBADLP NC(=[NH2+])N(CCCC[NH3+])C(=O)Cc1cc[nH+]c(N)c1 ZINC001181263758 820769720 /nfs/dbraw/zinc/76/97/20/820769720.db2.gz DLYMHFFWFDSOCK-UHFFFAOYSA-N 3 2 264.333 -0.333 20 0 CBADLP COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)C12CC[NH+](CC1)CC2 ZINC001181546222 820796643 /nfs/dbraw/zinc/79/66/43/820796643.db2.gz ILRCXCFGPMBWQL-GFCCVEGCSA-N 2 2 295.383 -0.212 20 0 CBADLP COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)C12CC[NH+](CC1)CC2 ZINC001181546222 820796650 /nfs/dbraw/zinc/79/66/50/820796650.db2.gz ILRCXCFGPMBWQL-GFCCVEGCSA-N 2 2 295.383 -0.212 20 0 CBADLP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001183116863 820974027 /nfs/dbraw/zinc/97/40/27/820974027.db2.gz WZGCFKYGMCEUMR-LLVKDONJSA-N 2 2 279.344 -0.721 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001183116116 820974563 /nfs/dbraw/zinc/97/45/63/820974563.db2.gz NRXRJGNHYRFVEV-CMPLNLGQSA-N 2 2 293.371 -0.333 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001183116116 820974570 /nfs/dbraw/zinc/97/45/70/820974570.db2.gz NRXRJGNHYRFVEV-CMPLNLGQSA-N 2 2 293.371 -0.333 20 0 CBADLP C[NH+](C)CCCNS(=O)(=O)N1CC[NH+](C)CC1 ZINC001184656655 821082221 /nfs/dbraw/zinc/08/22/21/821082221.db2.gz KBPOXOLMGMEEBX-UHFFFAOYSA-N 2 2 264.395 -0.980 20 0 CBADLP Cc1cc(N(C(N)=[NH2+])C(=O)[C@H]2C[N@@H+](C)CCN2C)n[nH]1 ZINC001185269435 821121538 /nfs/dbraw/zinc/12/15/38/821121538.db2.gz MSCRQYJIAWDVQS-SECBINFHSA-N 2 2 279.348 -0.810 20 0 CBADLP Cc1cc(N(C(N)=[NH2+])C(=O)[C@H]2C[N@H+](C)CCN2C)n[nH]1 ZINC001185269435 821121545 /nfs/dbraw/zinc/12/15/45/821121545.db2.gz MSCRQYJIAWDVQS-SECBINFHSA-N 2 2 279.348 -0.810 20 0 CBADLP CN1CC[N@H+](C)C[C@@H]1C(=O)NCCOc1cc[nH+]cc1 ZINC001185268577 821121903 /nfs/dbraw/zinc/12/19/03/821121903.db2.gz DJGXTVNDOULKQP-CYBMUJFWSA-N 2 2 278.356 -0.178 20 0 CBADLP CN1CC[N@@H+](C)C[C@@H]1C(=O)NCCOc1cc[nH+]cc1 ZINC001185268577 821121910 /nfs/dbraw/zinc/12/19/10/821121910.db2.gz DJGXTVNDOULKQP-CYBMUJFWSA-N 2 2 278.356 -0.178 20 0 CBADLP CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001185918486 821145190 /nfs/dbraw/zinc/14/51/90/821145190.db2.gz LKTCJTRGCLWWKC-SNVBAGLBSA-N 2 2 279.344 -0.721 20 0 CBADLP C[C@@H]([NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1)C(=O)N(C)C ZINC001186575872 821188491 /nfs/dbraw/zinc/18/84/91/821188491.db2.gz HAQNRNSCQOJDSH-GHMZBOCLSA-N 2 2 293.371 -0.381 20 0 CBADLP COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001187091613 821211665 /nfs/dbraw/zinc/21/16/65/821211665.db2.gz JBQNTUCUBCNFCO-YPMHNXCESA-N 2 2 296.371 -0.840 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]([NH2+]CCCO)C1 ZINC001187092487 821212624 /nfs/dbraw/zinc/21/26/24/821212624.db2.gz VKJFJTWEMVZJLS-LLVKDONJSA-N 2 2 266.345 -0.465 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N(CCO)CC[NH2+]C[C@H]1CCOC1 ZINC001279838263 828339253 /nfs/dbraw/zinc/33/92/53/828339253.db2.gz JKGXTVKOFDIFMT-GFCCVEGCSA-N 2 2 296.371 -0.601 20 0 CBADLP CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001187420296 822277810 /nfs/dbraw/zinc/27/78/10/822277810.db2.gz JQUILYNCTCIRKN-LLVKDONJSA-N 2 2 293.371 -0.413 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@@H]([NH2+]CCCO)C1 ZINC001187523225 822281646 /nfs/dbraw/zinc/28/16/46/822281646.db2.gz XDIFPNSNEPZINV-GFCCVEGCSA-N 2 2 280.372 -0.074 20 0 CBADLP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001188354123 822332336 /nfs/dbraw/zinc/33/23/36/822332336.db2.gz OMLLVKYZPLWTGO-GFCCVEGCSA-N 2 2 293.371 -0.400 20 0 CBADLP CN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001188369372 822332975 /nfs/dbraw/zinc/33/29/75/822332975.db2.gz XQTPHFLNDPYFPC-LLVKDONJSA-N 2 2 279.344 -0.838 20 0 CBADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1[NH2+]CCCO ZINC001281449937 828417370 /nfs/dbraw/zinc/41/73/70/828417370.db2.gz FYJAFXMNMMDFSG-PWSUYJOCSA-N 2 2 266.345 -0.229 20 0 CBADLP CNC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001282207388 828438684 /nfs/dbraw/zinc/43/86/84/828438684.db2.gz OICMIKKFUPZRQX-RKDXNWHRSA-N 2 2 267.333 -0.819 20 0 CBADLP C[N@@H+]1CC[C@H](C(=O)NCCNC(=O)Cn2cc[nH+]c2)C1 ZINC001283026234 828490939 /nfs/dbraw/zinc/49/09/39/828490939.db2.gz UFDLAXBPDPTOTF-NSHDSACASA-N 2 2 279.344 -0.933 20 0 CBADLP C[N@H+]1CC[C@H](C(=O)NCCNC(=O)Cn2cc[nH+]c2)C1 ZINC001283026234 828490940 /nfs/dbraw/zinc/49/09/40/828490940.db2.gz UFDLAXBPDPTOTF-NSHDSACASA-N 2 2 279.344 -0.933 20 0 CBADLP CC[C@@H](C(=O)NCCNC(=O)Cc1c[nH]c[nH+]1)[NH+](C)C ZINC001283122047 828497862 /nfs/dbraw/zinc/49/78/62/828497862.db2.gz FQXKQHFUXNAEDF-NSHDSACASA-N 2 2 281.360 -0.475 20 0 CBADLP CC(C)[C@H](C(=O)NCCNC(=O)Cc1[nH]cc[nH+]1)[NH+](C)C ZINC001283149890 828499737 /nfs/dbraw/zinc/49/97/37/828499737.db2.gz ABEAHWSTKJFXAM-CYBMUJFWSA-N 2 2 295.387 -0.229 20 0 CBADLP C[C@@H](CCC[NH2+][C@@H]1CCNC1=O)NC(=O)Cc1[nH]cc[nH+]1 ZINC001283258585 828510647 /nfs/dbraw/zinc/51/06/47/828510647.db2.gz BHVODYJDWFMNEF-WDEREUQCSA-N 2 2 293.371 -0.285 20 0 CBADLP CN(CCCNC(=O)Cn1cc[nH+]c1)C(=O)CC[NH+](C)C ZINC001283581996 828527158 /nfs/dbraw/zinc/52/71/58/828527158.db2.gz PQVBNVWDNQXWCS-UHFFFAOYSA-N 2 2 295.387 -0.201 20 0 CBADLP O=C(NC[C@@H](CO)[NH2+]CCCF)[C@@H]1CCn2c[nH+]cc2C1 ZINC001283772440 828546100 /nfs/dbraw/zinc/54/61/00/828546100.db2.gz XJHDLKOODHVNSO-NEPJUHHUSA-N 2 2 298.362 -0.128 20 0 CBADLP O=C(NC[C@@H](CO)[NH2+]CCCF)[C@H]1CCn2c[nH+]cc2C1 ZINC001283772443 828546272 /nfs/dbraw/zinc/54/62/72/828546272.db2.gz XJHDLKOODHVNSO-RYUDHWBXSA-N 2 2 298.362 -0.128 20 0 CBADLP O=C(NC[C@H](CO)[NH2+]CCCF)[C@H]1CCn2c[nH+]cc2C1 ZINC001283772442 828546303 /nfs/dbraw/zinc/54/63/03/828546303.db2.gz XJHDLKOODHVNSO-NWDGAFQWSA-N 2 2 298.362 -0.128 20 0 CBADLP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001189470809 823757994 /nfs/dbraw/zinc/75/79/94/823757994.db2.gz MVIWIBPYBLEFBD-NWDGAFQWSA-N 2 2 282.388 -0.654 20 0 CBADLP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001189470809 823758001 /nfs/dbraw/zinc/75/80/01/823758001.db2.gz MVIWIBPYBLEFBD-NWDGAFQWSA-N 2 2 282.388 -0.654 20 0 CBADLP CN(C[C@H](O)C[NH2+]CCF)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001284428142 828593439 /nfs/dbraw/zinc/59/34/39/828593439.db2.gz DQDRNLSDLKXWMX-WCQYABFASA-N 2 2 298.362 -0.176 20 0 CBADLP CN(C[C@H](O)C[NH2+]CCF)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001284428141 828593663 /nfs/dbraw/zinc/59/36/63/828593663.db2.gz DQDRNLSDLKXWMX-DGCLKSJQSA-N 2 2 298.362 -0.176 20 0 CBADLP COC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001192580203 823977663 /nfs/dbraw/zinc/97/76/63/823977663.db2.gz ADRGLTWHHZPXBI-IJLUTSLNSA-N 2 2 296.371 -0.462 20 0 CBADLP COC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001192580203 823977669 /nfs/dbraw/zinc/97/76/69/823977669.db2.gz ADRGLTWHHZPXBI-IJLUTSLNSA-N 2 2 296.371 -0.462 20 0 CBADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@@H+](CCCF)C[C@H]1O ZINC001192633470 823979459 /nfs/dbraw/zinc/97/94/59/823979459.db2.gz WSDGZXOREXOAIV-GHMZBOCLSA-N 2 2 284.335 -0.137 20 0 CBADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@H+](CCCF)C[C@H]1O ZINC001192633470 823979467 /nfs/dbraw/zinc/97/94/67/823979467.db2.gz WSDGZXOREXOAIV-GHMZBOCLSA-N 2 2 284.335 -0.137 20 0 CBADLP C[N@H+](CCCO)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001193047298 824000655 /nfs/dbraw/zinc/00/06/55/824000655.db2.gz DYLAQKPANGABLW-NSHDSACASA-N 2 2 266.345 -0.133 20 0 CBADLP C[N@@H+](CCCO)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001193047298 824000662 /nfs/dbraw/zinc/00/06/62/824000662.db2.gz DYLAQKPANGABLW-NSHDSACASA-N 2 2 266.345 -0.133 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]([N@H+](C)CCCO)C1 ZINC001193463749 824029814 /nfs/dbraw/zinc/02/98/14/824029814.db2.gz YBYYOKBXPFJVOM-GFCCVEGCSA-N 2 2 280.372 -0.122 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]([N@@H+](C)CCCO)C1 ZINC001193463749 824029816 /nfs/dbraw/zinc/02/98/16/824029816.db2.gz YBYYOKBXPFJVOM-GFCCVEGCSA-N 2 2 280.372 -0.122 20 0 CBADLP Cn1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C2)cn1 ZINC001195850681 824134197 /nfs/dbraw/zinc/13/41/97/824134197.db2.gz NJGORHRGISRPNC-CHWSQXEVSA-N 2 2 295.387 -0.967 20 0 CBADLP Cn1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C2)cn1 ZINC001195850681 824134199 /nfs/dbraw/zinc/13/41/99/824134199.db2.gz NJGORHRGISRPNC-CHWSQXEVSA-N 2 2 295.387 -0.967 20 0 CBADLP COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001196501350 824161702 /nfs/dbraw/zinc/16/17/02/824161702.db2.gz XMSYQECEEDGPKT-YNEHKIRRSA-N 2 2 296.371 -0.358 20 0 CBADLP COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001196501350 824161706 /nfs/dbraw/zinc/16/17/06/824161706.db2.gz XMSYQECEEDGPKT-YNEHKIRRSA-N 2 2 296.371 -0.358 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CCCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001196942424 824173348 /nfs/dbraw/zinc/17/33/48/824173348.db2.gz BKHJVUAZSTWAJT-GFCCVEGCSA-N 2 2 296.415 -0.264 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CCCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001196942424 824173349 /nfs/dbraw/zinc/17/33/49/824173349.db2.gz BKHJVUAZSTWAJT-GFCCVEGCSA-N 2 2 296.415 -0.264 20 0 CBADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCF)C[C@H]1O ZINC001197058135 824177095 /nfs/dbraw/zinc/17/70/95/824177095.db2.gz PCZMWKQOHFJYCB-GHMZBOCLSA-N 2 2 261.341 -0.541 20 0 CBADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1O ZINC001197058135 824177097 /nfs/dbraw/zinc/17/70/97/824177097.db2.gz PCZMWKQOHFJYCB-GHMZBOCLSA-N 2 2 261.341 -0.541 20 0 CBADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)CC[NH+](C)C)CC1 ZINC001197043310 824177223 /nfs/dbraw/zinc/17/72/23/824177223.db2.gz GPWMQULVDZAZIB-UHFFFAOYSA-N 2 2 284.404 -0.392 20 0 CBADLP CCNC(=O)C[N@H+]1CCCN(C(=O)CC[NH+](C)C)CC1 ZINC001197043310 824177226 /nfs/dbraw/zinc/17/72/26/824177226.db2.gz GPWMQULVDZAZIB-UHFFFAOYSA-N 2 2 284.404 -0.392 20 0 CBADLP COC[C@@H](O)C[N@@H+]1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001197270024 824186710 /nfs/dbraw/zinc/18/67/10/824186710.db2.gz YJAWVDLNVSNZNC-ZDUSSCGKSA-N 2 2 296.371 -0.506 20 0 CBADLP COC[C@@H](O)C[N@H+]1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001197270024 824186713 /nfs/dbraw/zinc/18/67/13/824186713.db2.gz YJAWVDLNVSNZNC-ZDUSSCGKSA-N 2 2 296.371 -0.506 20 0 CBADLP CC[NH+](CC)CC(=O)N1CCC[N@H+]([C@H]2CCNC2=O)CC1 ZINC001197491540 824193187 /nfs/dbraw/zinc/19/31/87/824193187.db2.gz FIISBUAUEMQOLR-ZDUSSCGKSA-N 2 2 296.415 -0.249 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCF)C[C@H]1O ZINC001199112033 824249083 /nfs/dbraw/zinc/24/90/83/824249083.db2.gz YCXAJVHRICSQFF-GHMZBOCLSA-N 2 2 261.341 -0.543 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCF)C[C@H]1O ZINC001199112033 824249089 /nfs/dbraw/zinc/24/90/89/824249089.db2.gz YCXAJVHRICSQFF-GHMZBOCLSA-N 2 2 261.341 -0.543 20 0 CBADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCF)C[C@H]1O ZINC001199112033 824249092 /nfs/dbraw/zinc/24/90/92/824249092.db2.gz YCXAJVHRICSQFF-GHMZBOCLSA-N 2 2 261.341 -0.543 20 0 CBADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1O ZINC001199112033 824249096 /nfs/dbraw/zinc/24/90/96/824249096.db2.gz YCXAJVHRICSQFF-GHMZBOCLSA-N 2 2 261.341 -0.543 20 0 CBADLP C[NH+]1CCN(c2cc[nH+]cc2C(=O)NCCO)CC1 ZINC001199355775 824263871 /nfs/dbraw/zinc/26/38/71/824263871.db2.gz NLGGKTNAWFGKDU-UHFFFAOYSA-N 2 2 264.329 -0.445 20 0 CBADLP C[NH+]1CCN(c2cc[nH+]cc2C(=O)NCC(N)=O)CC1 ZINC001199355133 824264582 /nfs/dbraw/zinc/26/45/82/824264582.db2.gz DWXNNRRRIXPIEW-UHFFFAOYSA-N 2 2 277.328 -0.952 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N1CCCO[C@H](C[NH2+]CCCO)C1 ZINC001201726143 824335272 /nfs/dbraw/zinc/33/52/72/824335272.db2.gz HWBXAHYSGKFCIR-GFCCVEGCSA-N 2 2 296.371 -0.458 20 0 CBADLP C[C@H](O)C[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCCO1 ZINC001202217308 824342246 /nfs/dbraw/zinc/34/22/46/824342246.db2.gz PBTQJVATSJBSHP-STQMWFEESA-N 2 2 296.371 -0.529 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CCCO[C@H](C[NH2+]CCO)C1 ZINC001202217630 824342509 /nfs/dbraw/zinc/34/25/09/824342509.db2.gz RCVYOTAGNWEZHG-GFCCVEGCSA-N 2 2 282.344 -0.918 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CCCO[C@@H](C[NH2+]CCO)C1 ZINC001202217634 824342997 /nfs/dbraw/zinc/34/29/97/824342997.db2.gz RCVYOTAGNWEZHG-LBPRGKRZSA-N 2 2 282.344 -0.918 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001202666939 824350308 /nfs/dbraw/zinc/35/03/08/824350308.db2.gz DNCRFYWVEUJTJK-SNVBAGLBSA-N 2 2 293.371 -0.333 20 0 CBADLP COC[C@@H](O)C[NH2+]C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001202666957 824350762 /nfs/dbraw/zinc/35/07/62/824350762.db2.gz DSRJKMCHBUVNBP-ZDUSSCGKSA-N 2 2 296.371 -0.460 20 0 CBADLP NC(=O)Cn1cc(C[NH2+]Cc2ccc3c[nH+]cn3c2)nn1 ZINC001202750768 824351371 /nfs/dbraw/zinc/35/13/71/824351371.db2.gz ZMUCQXUJXVQGON-UHFFFAOYSA-N 2 2 285.311 -0.299 20 0 CBADLP CC[N@@H+]1CCO[C@@H]2C[NH+](C[C@H]3CCC(=O)N3)C[C@@H]2C1 ZINC001202845288 824352403 /nfs/dbraw/zinc/35/24/03/824352403.db2.gz VLVXVYRVNZVUQV-YNEHKIRRSA-N 2 2 267.373 -0.083 20 0 CBADLP CC[N@H+]1CCO[C@@H]2C[NH+](C[C@H]3CCC(=O)N3)C[C@@H]2C1 ZINC001202845288 824352405 /nfs/dbraw/zinc/35/24/05/824352405.db2.gz VLVXVYRVNZVUQV-YNEHKIRRSA-N 2 2 267.373 -0.083 20 0 CBADLP CC[NH+]1CCO[C@@H]2C[N@H+](C[C@H]3CCC(=O)N3)C[C@@H]2C1 ZINC001202845288 824352410 /nfs/dbraw/zinc/35/24/10/824352410.db2.gz VLVXVYRVNZVUQV-YNEHKIRRSA-N 2 2 267.373 -0.083 20 0 CBADLP CC[NH+]1CCO[C@@H]2C[N@@H+](C[C@H]3CCC(=O)N3)C[C@@H]2C1 ZINC001202845288 824352414 /nfs/dbraw/zinc/35/24/14/824352414.db2.gz VLVXVYRVNZVUQV-YNEHKIRRSA-N 2 2 267.373 -0.083 20 0 CBADLP C[NH+]1CCN(C2C[NH+](C[C@@H]3CCC(=O)N3)C2)CC1 ZINC001202902432 824355303 /nfs/dbraw/zinc/35/53/03/824355303.db2.gz JLRXNNLDPHHALA-NSHDSACASA-N 2 2 252.362 -0.803 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001203051778 824358142 /nfs/dbraw/zinc/35/81/42/824358142.db2.gz HRSFDWVRCDMCQW-SNVBAGLBSA-N 2 2 293.371 -0.333 20 0 CBADLP [NH3+]C[C@]1(O)CCC[N@H+](Cc2cn3c(n2)C[NH2+]CC3)CC1 ZINC001205219199 824376967 /nfs/dbraw/zinc/37/69/67/824376967.db2.gz AEPRYGGSAAKPTQ-AWEZNQCLSA-N 3 2 279.388 -0.338 20 0 CBADLP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2cn3c(n2)C[NH2+]CC3)CC1 ZINC001205219199 824376971 /nfs/dbraw/zinc/37/69/71/824376971.db2.gz AEPRYGGSAAKPTQ-AWEZNQCLSA-N 3 2 279.388 -0.338 20 0 CBADLP N[C@@H]1NC(C[N@@H+]2CCCC[C@@](O)(C[NH3+])C2)=CS1 ZINC001205662741 824380800 /nfs/dbraw/zinc/38/08/00/824380800.db2.gz DIJUDZCWNWPQPO-GHMZBOCLSA-N 2 2 258.391 -0.418 20 0 CBADLP N[C@@H]1NC(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)=CS1 ZINC001205662741 824380808 /nfs/dbraw/zinc/38/08/08/824380808.db2.gz DIJUDZCWNWPQPO-GHMZBOCLSA-N 2 2 258.391 -0.418 20 0 CBADLP C[C@H]1CC[C@H](C[NH3+])[N@H+](Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC001205829917 824387414 /nfs/dbraw/zinc/38/74/14/824387414.db2.gz QDBQCNWXNMLQHU-CMPLNLGQSA-N 2 2 280.372 -0.357 20 0 CBADLP C[C@H]1CC[C@H](C[NH3+])[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC001205829917 824387416 /nfs/dbraw/zinc/38/74/16/824387416.db2.gz QDBQCNWXNMLQHU-CMPLNLGQSA-N 2 2 280.372 -0.357 20 0 CBADLP C[C@@H]1CC[N@H+](Cc2cn(C)c(=O)n(C)c2=O)C[C@@H]1[NH3+] ZINC001205880481 824389490 /nfs/dbraw/zinc/38/94/90/824389490.db2.gz JAHCKCGJIVCSFM-KOLCDFICSA-N 2 2 266.345 -0.747 20 0 CBADLP C[C@@H]1CC[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)C[C@@H]1[NH3+] ZINC001205880481 824389491 /nfs/dbraw/zinc/38/94/91/824389491.db2.gz JAHCKCGJIVCSFM-KOLCDFICSA-N 2 2 266.345 -0.747 20 0 CBADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc3n2CC[NH2+]C3)C[C@H]1O ZINC001205953440 824390426 /nfs/dbraw/zinc/39/04/26/824390426.db2.gz ZKADFWICFKFLCZ-CHWSQXEVSA-N 3 2 250.346 -0.515 20 0 CBADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc3n2CC[NH2+]C3)C[C@H]1O ZINC001205953440 824390430 /nfs/dbraw/zinc/39/04/30/824390430.db2.gz ZKADFWICFKFLCZ-CHWSQXEVSA-N 3 2 250.346 -0.515 20 0 CBADLP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001205946052 824390450 /nfs/dbraw/zinc/39/04/50/824390450.db2.gz HUFOBWRHLKVROA-GWOFURMSSA-N 3 2 263.332 -0.129 20 0 CBADLP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001205946052 824390455 /nfs/dbraw/zinc/39/04/55/824390455.db2.gz HUFOBWRHLKVROA-GWOFURMSSA-N 3 2 263.332 -0.129 20 0 CBADLP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001205946054 824390617 /nfs/dbraw/zinc/39/06/17/824390617.db2.gz HUFOBWRHLKVROA-LMLFDSFASA-N 3 2 263.332 -0.129 20 0 CBADLP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001205946054 824390624 /nfs/dbraw/zinc/39/06/24/824390624.db2.gz HUFOBWRHLKVROA-LMLFDSFASA-N 3 2 263.332 -0.129 20 0 CBADLP [NH3+]C[C@H]1C[N@H+](Cc2cnc(N3CCOCC3)s2)C[C@@H]1O ZINC001206520801 824402291 /nfs/dbraw/zinc/40/22/91/824402291.db2.gz WKBHEWRFKSYPPP-JQWIXIFHSA-N 2 2 298.412 -0.269 20 0 CBADLP [NH3+]C[C@H]1C[N@@H+](Cc2cnc(N3CCOCC3)s2)C[C@@H]1O ZINC001206520801 824402296 /nfs/dbraw/zinc/40/22/96/824402296.db2.gz WKBHEWRFKSYPPP-JQWIXIFHSA-N 2 2 298.412 -0.269 20 0 CBADLP C[C@H]([NH2+]CC1CCN(C(=O)Cn2cc[nH+]c2)CC1)C(N)=O ZINC001206970993 824415240 /nfs/dbraw/zinc/41/52/40/824415240.db2.gz TVICEFCDXRWNQL-NSHDSACASA-N 2 2 293.371 -0.415 20 0 CBADLP CNC(=O)C[NH2+]CC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001206970987 824415515 /nfs/dbraw/zinc/41/55/15/824415515.db2.gz SWEZMTKGACTQGF-UHFFFAOYSA-N 2 2 293.371 -0.543 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001208250614 824448584 /nfs/dbraw/zinc/44/85/84/824448584.db2.gz SVCRMKJUUBEVBY-GRYCIOLGSA-N 2 2 293.371 -0.417 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001208250614 824448585 /nfs/dbraw/zinc/44/85/85/824448585.db2.gz SVCRMKJUUBEVBY-GRYCIOLGSA-N 2 2 293.371 -0.417 20 0 CBADLP Nc1cc[nH+]cc1C[NH+]1CCC2(CC1)COCC(=O)N2 ZINC001209730235 824475297 /nfs/dbraw/zinc/47/52/97/824475297.db2.gz VBZFOWARIQGKSJ-UHFFFAOYSA-N 2 2 276.340 -0.025 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@H]([NH2+]CCOCCO)C1 ZINC001209835805 824476029 /nfs/dbraw/zinc/47/60/29/824476029.db2.gz FQUYAPNQHVYAHS-LBPRGKRZSA-N 2 2 296.371 -0.458 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@@H]([NH2+]CCOCCO)C1 ZINC001209835804 824476250 /nfs/dbraw/zinc/47/62/50/824476250.db2.gz FQUYAPNQHVYAHS-GFCCVEGCSA-N 2 2 296.371 -0.458 20 0 CBADLP [NH3+][C@H](Cc1ccccc1)C[N@@H+]1C[C@H](O)[C@@H](CO)C1 ZINC001209846885 824476322 /nfs/dbraw/zinc/47/63/22/824476322.db2.gz XDNHYPAIAMJYMA-MCIONIFRSA-N 2 2 250.342 -0.159 20 0 CBADLP [NH3+][C@H](Cc1ccccc1)C[N@H+]1C[C@H](O)[C@@H](CO)C1 ZINC001209846885 824476326 /nfs/dbraw/zinc/47/63/26/824476326.db2.gz XDNHYPAIAMJYMA-MCIONIFRSA-N 2 2 250.342 -0.159 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@H]([NH2+]CCCO)C1 ZINC001210669329 824480506 /nfs/dbraw/zinc/48/05/06/824480506.db2.gz WHUJRWPCIGWIKB-LBPRGKRZSA-N 2 2 280.372 -0.074 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@@H]([NH2+]CCCO)C1 ZINC001210669328 824480746 /nfs/dbraw/zinc/48/07/46/824480746.db2.gz WHUJRWPCIGWIKB-GFCCVEGCSA-N 2 2 280.372 -0.074 20 0 CBADLP COCCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](OC)C1 ZINC001213977755 824517826 /nfs/dbraw/zinc/51/78/26/824517826.db2.gz XYFBJVBAMNDSEU-CHWSQXEVSA-N 2 2 296.371 -0.265 20 0 CBADLP COCCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](OC)C1 ZINC001213977755 824517829 /nfs/dbraw/zinc/51/78/29/824517829.db2.gz XYFBJVBAMNDSEU-CHWSQXEVSA-N 2 2 296.371 -0.265 20 0 CBADLP CCc1nnc(CNC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)o1 ZINC001217697110 824559450 /nfs/dbraw/zinc/55/94/50/824559450.db2.gz VRXWXPWJUVDELA-QMMMGPOBSA-N 2 2 264.289 -0.459 20 0 CBADLP [NH3+][C@H](CN1CCC([NH3+])CC1)c1nnc([C@@H]2CCOC2)o1 ZINC001217757684 824560541 /nfs/dbraw/zinc/56/05/41/824560541.db2.gz QYGKCVGXRJWTKU-MWLCHTKSSA-N 2 2 281.360 -0.004 20 0 CBADLP Cc1c(NC(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)cnn1C ZINC001218505516 824573033 /nfs/dbraw/zinc/57/30/33/824573033.db2.gz WPWBNDXYUTYJJJ-JTQLQIEISA-N 2 2 262.317 -0.029 20 0 CBADLP O=C(C[NH2+]C1CC[NH2+]CC1)Nc1ncnc2n[nH]cc21 ZINC001218518996 824581119 /nfs/dbraw/zinc/58/11/19/824581119.db2.gz XQBXWWSBXJQODD-UHFFFAOYSA-N 2 2 275.316 -0.367 20 0 CBADLP Cc1nc(Cl)cc(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])n1 ZINC001218524424 824582141 /nfs/dbraw/zinc/58/21/41/824582141.db2.gz JQMXCEOUWSLFJI-BQBZGAKWSA-N 2 2 255.709 -0.076 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ncc(C(F)(F)F)cn1 ZINC001218528550 824584603 /nfs/dbraw/zinc/58/46/03/824584603.db2.gz DLJFIFNGTYDEDV-BQBZGAKWSA-N 2 2 275.234 -0.019 20 0 CBADLP Cc1cc(NC(=O)C2([NH3+])CC[NH2+]CC2)n2ncnc2n1 ZINC001218528496 824584633 /nfs/dbraw/zinc/58/46/33/824584633.db2.gz VFSCCYJSMSEZOC-UHFFFAOYSA-N 2 2 275.316 -0.548 20 0 CBADLP Cc1ccc2c(n[nH]c2NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])n1 ZINC001218542184 824589070 /nfs/dbraw/zinc/58/90/70/824589070.db2.gz MGPJYULBGLPNRH-IUCAKERBSA-N 2 2 260.301 -0.248 20 0 CBADLP COCCCN(C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)c1ncccc1N ZINC001218562293 824592071 /nfs/dbraw/zinc/59/20/71/824592071.db2.gz ZYEHZUIAJLNZBB-PWSUYJOCSA-N 2 2 293.371 -0.278 20 0 CBADLP CCCN=c1c(N)c(Cl)ncn1C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001218571756 824596202 /nfs/dbraw/zinc/59/62/02/824596202.db2.gz KNGIKRSMRAOXJT-YUMQZZPRSA-N 2 2 298.778 -0.384 20 0 CBADLP [NH3+]C1(C(=O)Nc2noc3nccnc23)CC[NH2+]CC1 ZINC001218574275 824597885 /nfs/dbraw/zinc/59/78/85/824597885.db2.gz HSQGVUIHVANTGY-UHFFFAOYSA-N 2 2 262.273 -0.363 20 0 CBADLP CSc1nc(NC(=O)[C@@H]([NH3+])CC[NH3+])cc(=O)[nH]1 ZINC001218584017 824598756 /nfs/dbraw/zinc/59/87/56/824598756.db2.gz LRSYKZWJSDYQFN-YFKPBYRVSA-N 2 2 257.319 -0.481 20 0 CBADLP COC(=O)c1cncc(NC(=O)C2([NH3+])CC[NH2+]CC2)n1 ZINC001218579836 824599688 /nfs/dbraw/zinc/59/96/88/824599688.db2.gz MQCLJHHVPZMVHG-UHFFFAOYSA-N 2 2 279.300 -0.717 20 0 CBADLP COc1ncc(NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)cn1 ZINC001218590745 824600336 /nfs/dbraw/zinc/60/03/36/824600336.db2.gz VDEDFAVPOKHGJN-SECBINFHSA-N 2 2 262.273 -0.283 20 0 CBADLP COC(=O)Cn1cc(NC(=O)C2([NH3+])CC[NH2+]CC2)cn1 ZINC001218609606 824603327 /nfs/dbraw/zinc/60/33/27/824603327.db2.gz IQGFBJDCIYSQII-UHFFFAOYSA-N 2 2 281.316 -0.925 20 0 CBADLP CC(=O)Nc1cc(NC(=O)C2([NH3+])CC[NH2+]CC2)ncn1 ZINC001218610418 824603352 /nfs/dbraw/zinc/60/33/52/824603352.db2.gz OMYPKLJSODXOTF-UHFFFAOYSA-N 2 2 278.316 -0.546 20 0 CBADLP CC(=O)Nc1cc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)ncn1 ZINC001218610455 824603813 /nfs/dbraw/zinc/60/38/13/824603813.db2.gz OTYGDZPIFSOCNS-VIFPVBQESA-N 2 2 289.299 -0.333 20 0 CBADLP CCOc1cnc(NC(=O)C2([NH3+])CC[NH2+]CC2)cn1 ZINC001218621360 824605743 /nfs/dbraw/zinc/60/57/43/824605743.db2.gz TVVVNFBXXWXNBW-UHFFFAOYSA-N 2 2 265.317 -0.105 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)n1c(Cl)ncc(N)c1=N ZINC001218622870 824606682 /nfs/dbraw/zinc/60/66/82/824606682.db2.gz XTFIJWRERZTNKR-ZETCQYMHSA-N 2 2 295.734 -0.458 20 0 CBADLP COC(=O)c1onc(C)c1NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001218635557 824611982 /nfs/dbraw/zinc/61/19/82/824611982.db2.gz IKXUQOUVRZCYSW-RBDZCENOSA-N 2 2 294.311 -0.070 20 0 CBADLP CCOC(=O)c1cccc(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)n1 ZINC001218648248 824614599 /nfs/dbraw/zinc/61/45/99/824614599.db2.gz UGUZYOCESJKFTK-SCZZXKLOSA-N 2 2 278.312 -0.114 20 0 CBADLP CC(=O)Nc1cc(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])ccn1 ZINC001218649939 824615174 /nfs/dbraw/zinc/61/51/74/824615174.db2.gz NJQKLPCIAIJZSC-UWVGGRQHSA-N 2 2 263.301 -0.475 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1nc(Cl)cnc1N ZINC001218652772 824615768 /nfs/dbraw/zinc/61/57/68/824615768.db2.gz PVYSGDUWWOHCHN-ZETCQYMHSA-N 2 2 295.734 -0.046 20 0 CBADLP Nc1ncc(Cl)nc1NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001218655229 824616724 /nfs/dbraw/zinc/61/67/24/824616724.db2.gz SMSIYDZSYAEYOP-WHFBIAKZSA-N 2 2 256.697 -0.803 20 0 CBADLP Nc1ncc(Cl)nc1NC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001218652920 824617219 /nfs/dbraw/zinc/61/72/19/824617219.db2.gz QZJSFAGUEOVQOE-UHFFFAOYSA-N 2 2 284.751 -0.008 20 0 CBADLP Nc1cc[nH]c(=O)c1NC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001218677934 824620761 /nfs/dbraw/zinc/62/07/61/824620761.db2.gz AIWXPSDKTXAYGM-UHFFFAOYSA-N 2 2 251.290 -0.611 20 0 CBADLP CCOC(=O)c1ncncc1NC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001218679747 824621561 /nfs/dbraw/zinc/62/15/61/824621561.db2.gz WINXPHJPHFWPSI-UHFFFAOYSA-N 2 2 293.327 -0.327 20 0 CBADLP Cc1cc(NC(=O)[C@@H](N)C[NH+]2CCC([NH3+])CC2)cc(=O)o1 ZINC001218683206 824622688 /nfs/dbraw/zinc/62/26/88/824622688.db2.gz VVOIBQXYOFABBA-LBPRGKRZSA-N 2 2 294.355 -0.363 20 0 CBADLP COC[C@H](C)Oc1cc(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)[nH]n1 ZINC001218718036 824627730 /nfs/dbraw/zinc/62/77/30/824627730.db2.gz BOZJDTWFYAMVAP-YIZRAAEISA-N 2 2 283.332 -0.549 20 0 CBADLP COc1cnc(Cl)c(NC(=O)[C@@H]([NH3+])CC[NH3+])n1 ZINC001218721393 824629257 /nfs/dbraw/zinc/62/92/57/824629257.db2.gz WGFOUIUTCQRONR-YFKPBYRVSA-N 2 2 259.697 -0.247 20 0 CBADLP CCc1cc2ncc(NC(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])cn2n1 ZINC001218737156 824630022 /nfs/dbraw/zinc/63/00/22/824630022.db2.gz RVIZQNUBIMRAIX-QWRGUYRKSA-N 2 2 274.328 -0.223 20 0 CBADLP [NH3+]C1(C(=O)Nc2cn(CCF)cn2)CC[NH2+]CC1 ZINC001218742739 824631916 /nfs/dbraw/zinc/63/19/16/824631916.db2.gz KXWCBWCHDFTYSK-UHFFFAOYSA-N 2 2 255.297 -0.128 20 0 CBADLP Cc1cnn(CCO)c1NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001218754047 824634225 /nfs/dbraw/zinc/63/42/25/824634225.db2.gz NVPWEFHVOZKEOP-JTQLQIEISA-N 2 2 278.316 -0.585 20 0 CBADLP Cc1cnn(CCO)c1NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001218754048 824635037 /nfs/dbraw/zinc/63/50/37/824635037.db2.gz NVPWEFHVOZKEOP-SNVBAGLBSA-N 2 2 278.316 -0.585 20 0 CBADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1nc2n[nH]cc2c(Cl)n1 ZINC001218799415 824640108 /nfs/dbraw/zinc/64/01/08/824640108.db2.gz NOFDBCFNRGTZDM-YFKPBYRVSA-N 2 2 269.696 -0.379 20 0 CBADLP CCOc1cc(C(N)=O)ccc1NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001218816382 824641602 /nfs/dbraw/zinc/64/16/02/824641602.db2.gz SILRTGNYLTUCMP-KOLCDFICSA-N 2 2 292.339 -0.188 20 0 CBADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1ccc2c(c1)C(=O)NCCO2 ZINC001218815678 824641931 /nfs/dbraw/zinc/64/19/31/824641931.db2.gz BRPKOERXGPKAFW-JTQLQIEISA-N 2 2 278.312 -0.577 20 0 CBADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1ccc(Cn2cncn2)cc1 ZINC001218837371 824643297 /nfs/dbraw/zinc/64/32/97/824643297.db2.gz YTLIBUTUBIHMCL-LBPRGKRZSA-N 2 2 274.328 -0.059 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc2c(c1)CC[NH2+]CC2 ZINC001218939011 824648770 /nfs/dbraw/zinc/64/87/70/824648770.db2.gz ZQEHGBYONJRDLW-KBPBESRZSA-N 3 2 274.368 -0.140 20 0 CBADLP CN(C)C(=O)Cc1ccccc1NC(=O)[C@@H]([NH3+])CC[NH3+] ZINC001218953923 824649321 /nfs/dbraw/zinc/64/93/21/824649321.db2.gz CSLRYAAIJGYHNQ-NSHDSACASA-N 2 2 278.356 -0.068 20 0 CBADLP COc1cc(NC(=O)[C@@H]([NH3+])CC[NH3+])c(C(N)=O)cc1OC ZINC001218968680 824650894 /nfs/dbraw/zinc/65/08/94/824650894.db2.gz MFKLTVHDOOJGOB-QMMMGPOBSA-N 2 2 296.327 -0.583 20 0 CBADLP CN1c2ccc(NC(=O)[C@@H]([NH3+])CC[NH3+])cc2CC1=O ZINC001219020678 824653196 /nfs/dbraw/zinc/65/31/96/824653196.db2.gz IKBBXRXHEHDYNI-JTQLQIEISA-N 2 2 262.313 -0.180 20 0 CBADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)Nc1ccc(CO)cc1 ZINC001219054264 824653824 /nfs/dbraw/zinc/65/38/24/824653824.db2.gz DVDZSXLXZNVODY-CQSZACIVSA-N 2 2 292.383 -0.132 20 0 CBADLP COc1ccc(N)c(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)c1 ZINC001219141779 824668052 /nfs/dbraw/zinc/66/80/52/824668052.db2.gz BSAKGGWXTYGHDM-HQJQHLMTSA-N 2 2 250.302 -0.095 20 0 CBADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1cccc2c(=O)[nH][nH]c(=O)c12 ZINC001219178178 824672035 /nfs/dbraw/zinc/67/20/35/824672035.db2.gz MOYFCJWVQYOKGH-ZETCQYMHSA-N 2 2 277.284 -0.344 20 0 CBADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)Nc1ccc(C[NH3+])cc1 ZINC001219349561 824695177 /nfs/dbraw/zinc/69/51/77/824695177.db2.gz OTTOGRDWFMOVLQ-AWEZNQCLSA-N 3 2 291.399 -0.166 20 0 CBADLP CCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219357766 824696252 /nfs/dbraw/zinc/69/62/52/824696252.db2.gz KGOKXKQKIGPUDX-UPJWGTAASA-N 2 2 285.388 -0.722 20 0 CBADLP CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219357766 824696263 /nfs/dbraw/zinc/69/62/63/824696263.db2.gz KGOKXKQKIGPUDX-UPJWGTAASA-N 2 2 285.388 -0.722 20 0 CBADLP CCOCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001219357766 824696268 /nfs/dbraw/zinc/69/62/68/824696268.db2.gz KGOKXKQKIGPUDX-UPJWGTAASA-N 2 2 285.388 -0.722 20 0 CBADLP CCOCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001219357766 824696272 /nfs/dbraw/zinc/69/62/72/824696272.db2.gz KGOKXKQKIGPUDX-UPJWGTAASA-N 2 2 285.388 -0.722 20 0 CBADLP CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219357765 824696722 /nfs/dbraw/zinc/69/67/22/824696722.db2.gz KGOKXKQKIGPUDX-AGIUHOORSA-N 2 2 285.388 -0.722 20 0 CBADLP CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219357765 824696728 /nfs/dbraw/zinc/69/67/28/824696728.db2.gz KGOKXKQKIGPUDX-AGIUHOORSA-N 2 2 285.388 -0.722 20 0 CBADLP CCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001219357765 824696734 /nfs/dbraw/zinc/69/67/34/824696734.db2.gz KGOKXKQKIGPUDX-AGIUHOORSA-N 2 2 285.388 -0.722 20 0 CBADLP CCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001219357765 824696738 /nfs/dbraw/zinc/69/67/38/824696738.db2.gz KGOKXKQKIGPUDX-AGIUHOORSA-N 2 2 285.388 -0.722 20 0 CBADLP CN1Cc2cccc(NC(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])c2C1=O ZINC001219364474 824699114 /nfs/dbraw/zinc/69/91/14/824699114.db2.gz KPTVHVJOBVFGTH-UWVGGRQHSA-N 2 2 274.324 -0.243 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2cccc3c2[C@H]2C[NH2+]C[C@H]2O3)C1 ZINC001219537885 824723416 /nfs/dbraw/zinc/72/34/16/824723416.db2.gz RBJMCKZSSKHMRQ-UPBCOZELSA-N 3 2 288.351 -0.238 20 0 CBADLP CCOCC[N@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001219552540 824726866 /nfs/dbraw/zinc/72/68/66/824726866.db2.gz CGUZKRPBCSHKGH-NEPJUHHUSA-N 2 2 296.371 -0.460 20 0 CBADLP CCOCC[N@@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001219552540 824726872 /nfs/dbraw/zinc/72/68/72/824726872.db2.gz CGUZKRPBCSHKGH-NEPJUHHUSA-N 2 2 296.371 -0.460 20 0 CBADLP C[NH+](C)CCNC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001219553775 824727172 /nfs/dbraw/zinc/72/71/72/824727172.db2.gz LKAHQSWUXVWKKL-GFCCVEGCSA-N 3 2 250.346 -0.064 20 0 CBADLP CC(C)[N@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001219552951 824727271 /nfs/dbraw/zinc/72/72/71/824727271.db2.gz OGMJZFICOKSKJR-MNOVXSKESA-N 2 2 266.345 -0.088 20 0 CBADLP CC(C)[N@@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001219552951 824727274 /nfs/dbraw/zinc/72/72/74/824727274.db2.gz OGMJZFICOKSKJR-MNOVXSKESA-N 2 2 266.345 -0.088 20 0 CBADLP COc1ccc(C(=O)CNC(=O)[C@@H]([NH3+])CC[NH3+])cc1 ZINC001219559551 824729008 /nfs/dbraw/zinc/72/90/08/824729008.db2.gz BNGZSDJKZXFNBH-NSHDSACASA-N 2 2 265.313 -0.330 20 0 CBADLP CC[NH+](CC)CCNC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001219555773 824729142 /nfs/dbraw/zinc/72/91/42/824729142.db2.gz RPGCJFZTIXYUFH-WCQYABFASA-N 3 2 254.378 -0.604 20 0 CBADLP Cc1cccnc1CNC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001219563709 824730893 /nfs/dbraw/zinc/73/08/93/824730893.db2.gz JAAGKKWCZOALMH-BXUZGUMPSA-N 2 2 260.341 -0.042 20 0 CBADLP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)NCCn1cc[nH+]c1 ZINC001219563723 824731635 /nfs/dbraw/zinc/73/16/35/824731635.db2.gz JOOVFOQMSMICBK-RYUDHWBXSA-N 2 2 295.387 -0.123 20 0 CBADLP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)NCCn1cc[nH+]c1 ZINC001219564180 824733333 /nfs/dbraw/zinc/73/33/33/824733333.db2.gz UTLFJZJXWCJHGF-NSHDSACASA-N 2 2 281.360 -0.511 20 0 CBADLP Cc1cccnc1CCCNC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001219571388 824734241 /nfs/dbraw/zinc/73/42/41/824734241.db2.gz GCAYVYZKJYGKFT-RYUDHWBXSA-N 2 2 262.357 -0.014 20 0 CBADLP CCn1nnc2c1[C@@H](C(=O)N[C@H]1CC[C@H](C)[NH2+]C1)C[NH2+]C2 ZINC001219579793 824735429 /nfs/dbraw/zinc/73/54/29/824735429.db2.gz FQYKFCVDPUDZOB-DCAQKATOSA-N 2 2 292.387 -0.259 20 0 CBADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)NC[C@@H](O)c1ccco1 ZINC001219604747 824849512 /nfs/dbraw/zinc/84/95/12/824849512.db2.gz YIYMCIJXTGDUCW-VXGBXAGGSA-N 2 2 296.371 -0.820 20 0 CBADLP CS(=O)(=O)CCNC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001219607949 824852943 /nfs/dbraw/zinc/85/29/43/824852943.db2.gz IVUSTPQIOSBVTH-LLVKDONJSA-N 2 2 285.369 -0.581 20 0 CBADLP O=C(CCn1cc[nH+]c1)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219616026 824857165 /nfs/dbraw/zinc/85/71/65/824857165.db2.gz MMLKVOKPFTVEPR-CMPLNLGQSA-N 2 2 270.308 -0.548 20 0 CBADLP Cn1c[nH+]c(CCNC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)c1 ZINC001219634263 824867289 /nfs/dbraw/zinc/86/72/89/824867289.db2.gz QVAASLVQSJPMFK-LBPRGKRZSA-N 3 2 265.361 -0.594 20 0 CBADLP Cn1c[nH+]c(CCNC(=O)[C@@H]([NH3+])CC[S@](C)=O)c1 ZINC001219634046 824867322 /nfs/dbraw/zinc/86/73/22/824867322.db2.gz KNRZDODJXUERHZ-YPMLDQLKSA-N 2 2 272.374 -0.825 20 0 CBADLP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)C1 ZINC001219638889 824868605 /nfs/dbraw/zinc/86/86/05/824868605.db2.gz RIPOGFZQGXMQEV-HOSYDEDBSA-N 3 2 265.361 -0.359 20 0 CBADLP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)C1 ZINC001219641873 824869375 /nfs/dbraw/zinc/86/93/75/824869375.db2.gz MHGKWTSAOFDAGQ-SFTQSGBHSA-N 3 2 266.389 -0.700 20 0 CBADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 ZINC001219671508 824876787 /nfs/dbraw/zinc/87/67/87/824876787.db2.gz IMTAMXNRDWGGKI-RYUDHWBXSA-N 2 2 297.380 -0.438 20 0 CBADLP C[C@@H]1C[C@@H](CNC(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)C[NH2+]1 ZINC001219685247 824878981 /nfs/dbraw/zinc/87/89/81/824878981.db2.gz XWLDWYWGWJINRO-PRULPYPASA-N 3 2 252.362 -0.948 20 0 CBADLP Cc1ccc2c(c1)[C@H](NC(=O)[C@@H]([NH3+])CC[NH3+])C(=O)N2 ZINC001219686936 824879580 /nfs/dbraw/zinc/87/95/80/824879580.db2.gz AQFRNQOCTVUQLL-ONGXEEELSA-N 2 2 262.313 -0.219 20 0 CBADLP Cc1ccc2c(c1)[C@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])C(=O)N2 ZINC001219687681 824879855 /nfs/dbraw/zinc/87/98/55/824879855.db2.gz XJJPRJIPWAHCQA-NHCYSSNCSA-N 2 2 274.324 -0.349 20 0 CBADLP CCOC(=O)CCNC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001219691319 824880045 /nfs/dbraw/zinc/88/00/45/824880045.db2.gz NKMRFXJUXMQJBB-SKDRFNHKSA-N 2 2 255.318 -0.993 20 0 CBADLP C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]([NH3+])CC2CCC2)C1 ZINC001219695802 824881227 /nfs/dbraw/zinc/88/12/27/824881227.db2.gz YWPFNPGDHDSZLD-RYUDHWBXSA-N 2 2 255.362 -0.049 20 0 CBADLP C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]([NH3+])CC2CCC2)C1 ZINC001219695802 824881231 /nfs/dbraw/zinc/88/12/31/824881231.db2.gz YWPFNPGDHDSZLD-RYUDHWBXSA-N 2 2 255.362 -0.049 20 0 CBADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)NCc2ccc3c(c2)CC[NH2+]C3)C1 ZINC001219705884 824882905 /nfs/dbraw/zinc/88/29/05/824882905.db2.gz SBJTZBJMARONSA-KBPBESRZSA-N 3 2 274.368 -0.362 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1c[nH]c(=O)nc1N ZINC001219702255 824883905 /nfs/dbraw/zinc/88/39/05/824883905.db2.gz YEPWDQIUVXFVBN-ZETCQYMHSA-N 2 2 277.288 -0.994 20 0 CBADLP Nc1nc(=O)c(F)cn1C(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001219741764 824888866 /nfs/dbraw/zinc/88/88/66/824888866.db2.gz SVYHURGFWKLXKI-JTQLQIEISA-N 2 2 291.286 -0.146 20 0 CBADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)NC[C@@H]2CCC3(CC[NH2+]CC3)O2)C1 ZINC001219743961 824890652 /nfs/dbraw/zinc/89/06/52/824890652.db2.gz PZDAPTDMRPUBGE-SRVKXCTJSA-N 3 2 282.388 -0.907 20 0 CBADLP CCC[N@H+]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001219768836 824891139 /nfs/dbraw/zinc/89/11/39/824891139.db2.gz MZQBUNHRRDRAKO-NEPJUHHUSA-N 2 2 266.345 -0.086 20 0 CBADLP CCC[N@@H+]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001219768836 824891143 /nfs/dbraw/zinc/89/11/43/824891143.db2.gz MZQBUNHRRDRAKO-NEPJUHHUSA-N 2 2 266.345 -0.086 20 0 CBADLP CCC[N@H+]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@@H](O)C1 ZINC001219768836 824891148 /nfs/dbraw/zinc/89/11/48/824891148.db2.gz MZQBUNHRRDRAKO-NEPJUHHUSA-N 2 2 266.345 -0.086 20 0 CBADLP CCC[N@@H+]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@@H](O)C1 ZINC001219768836 824891151 /nfs/dbraw/zinc/89/11/51/824891151.db2.gz MZQBUNHRRDRAKO-NEPJUHHUSA-N 2 2 266.345 -0.086 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NC2CC[NH+](C3CC[NH2+]CC3)CC2)C1 ZINC001219796387 824896178 /nfs/dbraw/zinc/89/61/78/824896178.db2.gz YGQHEDQJZKPLGE-RISCZKNCSA-N 4 2 295.431 -0.992 20 0 CBADLP [NH3+]C1(C(=O)NCc2noc3c2C[NH2+]CC3)CC[NH2+]CC1 ZINC001219810989 824897320 /nfs/dbraw/zinc/89/73/20/824897320.db2.gz IJPXZFIYISNPCU-UHFFFAOYSA-N 3 2 279.344 -0.983 20 0 CBADLP O=C(N[C@@H]1C[NH2+]Cc2ccsc21)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001219822820 824897546 /nfs/dbraw/zinc/89/75/46/824897546.db2.gz GJYMXUOTCITORH-NNYUYHANSA-N 3 2 292.408 -0.042 20 0 CBADLP O=C(C[NH2+]C1CC[NH2+]CC1)NCc1noc2c1C[NH2+]CC2 ZINC001219809494 824898186 /nfs/dbraw/zinc/89/81/86/824898186.db2.gz MNYQROFAOGBWIQ-UHFFFAOYSA-N 3 2 293.371 -0.722 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N[C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001219818857 824898607 /nfs/dbraw/zinc/89/86/07/824898607.db2.gz QIDUPNJJBMLHFN-FQUUOJAGSA-N 3 2 274.368 -0.248 20 0 CBADLP O=C(N[C@@H]1c2ccccc2C[C@@H]1O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001219865210 824904662 /nfs/dbraw/zinc/90/46/62/824904662.db2.gz GQGBAGYCUSWQQU-YYWXWVFPSA-N 2 2 287.363 -0.288 20 0 CBADLP CCOC(=O)CC(=N)NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001219882407 824907713 /nfs/dbraw/zinc/90/77/13/824907713.db2.gz FVLVNPDJNZRBIR-RWYTXXIDSA-N 2 2 268.317 -0.745 20 0 CBADLP CC[C@H](C)[C@@H](CO)NC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001219883590 824909010 /nfs/dbraw/zinc/90/90/10/824909010.db2.gz VJIOZPXLFWBFAK-WGBDABJCSA-N 2 2 255.362 -0.539 20 0 CBADLP CC(=O)N1C[C@H]2C[C@@]2(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)C1 ZINC001219891188 824910433 /nfs/dbraw/zinc/91/04/33/824910433.db2.gz PEIUVQDYAJQYQB-SUZMYJTESA-N 2 2 277.328 -0.984 20 0 CBADLP O=C(N[C@@H]1SC(=O)NC1=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001219903744 824912231 /nfs/dbraw/zinc/91/22/31/824912231.db2.gz FWCRESKDVKGIAF-OIBJUYFYSA-N 2 2 298.368 -0.714 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N[C@H]2CCc3[nH]c(=O)ccc3C2)C1 ZINC001219891653 824912639 /nfs/dbraw/zinc/91/26/39/824912639.db2.gz YACUUAQSWMJPBY-SCVCMEIPSA-N 2 2 276.340 -0.550 20 0 CBADLP [NH3+]C1(C(=O)NC[C@@H](O)COc2ccccc2)CC[NH2+]CC1 ZINC001219919201 824915306 /nfs/dbraw/zinc/91/53/06/824915306.db2.gz ZIGCATZVVSDNTI-GFCCVEGCSA-N 2 2 293.367 -0.377 20 0 CBADLP Cc1[nH+]ccn1CCNC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001219934965 824916204 /nfs/dbraw/zinc/91/62/04/824916204.db2.gz VWZDHUGREAYHJX-UHFFFAOYSA-N 3 2 265.361 -0.351 20 0 CBADLP Nc1ccccc1CNC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001219925889 824917035 /nfs/dbraw/zinc/91/70/35/824917035.db2.gz ZWARMPZAUQKLOT-RISCZKNCSA-N 2 2 260.341 -0.164 20 0 CBADLP CC(C)(C)C(=O)CNC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219943321 824918593 /nfs/dbraw/zinc/91/85/93/824918593.db2.gz CPWXKALCQTWABT-VIFPVBQESA-N 2 2 253.346 -0.473 20 0 CBADLP CCC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)CC1 ZINC001219954349 824921625 /nfs/dbraw/zinc/92/16/25/824921625.db2.gz HDPNZKLGBIIGHU-FPMFFAJLSA-N 3 2 280.416 -0.073 20 0 CBADLP NC(=O)c1ccc(CNC(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)cc1 ZINC001219961528 824922335 /nfs/dbraw/zinc/92/23/35/824922335.db2.gz NVQMBSQZXBMCJS-DOMZBBRYSA-N 2 2 288.351 -0.647 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NCCC[NH2+]C1CCCCC1 ZINC001219954950 824922805 /nfs/dbraw/zinc/92/28/05/824922805.db2.gz ZHFWTSLAOJKBLY-STQMWFEESA-N 3 2 268.405 -0.038 20 0 CBADLP CCC[NH+]1CCC(NC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)CC1 ZINC001219954760 824923064 /nfs/dbraw/zinc/92/30/64/824923064.db2.gz QPGIMXNGDKMKIN-JTQLQIEISA-N 2 2 281.364 -0.940 20 0 CBADLP O=C(NCc1ccc2nonc2c1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001219965271 824923828 /nfs/dbraw/zinc/92/38/28/824923828.db2.gz GTPAPYIZWKCYNP-TVYUQYBPSA-N 2 2 287.323 -0.211 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](NC(=O)C=C2CC[NH2+]CC2)C[NH2+]1 ZINC001219967867 824924459 /nfs/dbraw/zinc/92/44/59/824924459.db2.gz MRSGIVZRBMLKQA-MNOVXSKESA-N 2 2 267.329 -0.684 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](NC(=O)c2ccccc2C[NH3+])C[NH2+]1 ZINC001219967901 824924858 /nfs/dbraw/zinc/92/48/58/824924858.db2.gz NYWYBNPBLYCOTP-PWSUYJOCSA-N 2 2 277.324 -0.221 20 0 CBADLP O=C(CNC(=O)C[NH2+]C1CC[NH2+]CC1)NC1CCCC1 ZINC001219974848 824927345 /nfs/dbraw/zinc/92/73/45/824927345.db2.gz HHYSOTSCJBZXOR-UHFFFAOYSA-N 2 2 282.388 -0.497 20 0 CBADLP COC(=O)CNC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001219975715 824928028 /nfs/dbraw/zinc/92/80/28/824928028.db2.gz VUGFEIPPDNQJGO-SNVBAGLBSA-N 2 2 251.286 -0.452 20 0 CBADLP [NH3+]CC[C@H]([NH3+])C(=O)NCC(=O)N1CCc2ccccc21 ZINC001219978161 824928199 /nfs/dbraw/zinc/92/81/99/824928199.db2.gz FJAQNFJYNXEJRF-NSHDSACASA-N 2 2 276.340 -0.632 20 0 CBADLP COC(=O)CNC(=O)[C@H]1CCC[N@@H+]([C@@H]2CC[NH2+]C2)C1 ZINC001219974875 824928294 /nfs/dbraw/zinc/92/82/94/824928294.db2.gz HTSBIKMMIIEGBX-WDEREUQCSA-N 2 2 269.345 -0.651 20 0 CBADLP COC(=O)CNC(=O)[C@H]1CCC[N@H+]([C@@H]2CC[NH2+]C2)C1 ZINC001219974875 824928298 /nfs/dbraw/zinc/92/82/98/824928298.db2.gz HTSBIKMMIIEGBX-WDEREUQCSA-N 2 2 269.345 -0.651 20 0 CBADLP N=c1cc(C[NH3+])ncn1C(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001220020366 824936333 /nfs/dbraw/zinc/93/63/33/824936333.db2.gz GKJCNBFVOPXEOC-LBPRGKRZSA-N 3 2 286.339 -0.532 20 0 CBADLP COC(=O)[C@@H](NC(=O)C1([NH3+])CC[NH2+]CC1)C1CCOCC1 ZINC001220025512 824938367 /nfs/dbraw/zinc/93/83/67/824938367.db2.gz QHOSOPOKXILQJX-NSHDSACASA-N 2 2 299.371 -0.848 20 0 CBADLP Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220043357 824941799 /nfs/dbraw/zinc/94/17/99/824941799.db2.gz OPCIFBPHQAESQB-SNVBAGLBSA-N 3 2 275.316 -0.937 20 0 CBADLP CCCCOC(=O)[C@H](C)NC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220049196 824944100 /nfs/dbraw/zinc/94/41/00/824944100.db2.gz CEUZQFRFWWSZJR-MJVIPROJSA-N 2 2 283.372 -0.214 20 0 CBADLP CCOC(=O)C(C)(C)NC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001220063890 824949397 /nfs/dbraw/zinc/94/93/97/824949397.db2.gz ILHTUKDAESLTHE-UHFFFAOYSA-N 2 2 257.334 -0.475 20 0 CBADLP Cc1[nH+]c(N)ccc1CNC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001220071317 824951588 /nfs/dbraw/zinc/95/15/88/824951588.db2.gz ARTDJNSREXGSKI-UHFFFAOYSA-N 3 2 263.345 -0.331 20 0 CBADLP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001220103137 824954636 /nfs/dbraw/zinc/95/46/36/824954636.db2.gz HXRSZTRVVKHADG-LBPRGKRZSA-N 4 2 292.387 -0.280 20 0 CBADLP CCOC(=O)C(F)(F)CNC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220097171 824955448 /nfs/dbraw/zinc/95/54/48/824955448.db2.gz RLIDNJQHGWCELK-KCJUWKMLSA-N 2 2 291.298 -0.748 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NC[C@H](O)c2ccc(O)cc2)C1 ZINC001220112836 824958234 /nfs/dbraw/zinc/95/82/34/824958234.db2.gz BNQZXLJRCSMILF-USWWRNFRSA-N 2 2 265.313 -0.769 20 0 CBADLP Cc1cnc(=O)[nH]c1NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001220123002 824959618 /nfs/dbraw/zinc/95/96/18/824959618.db2.gz RHTJSGAXMZBTNU-RWYTXXIDSA-N 2 2 263.301 -0.349 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NCc1cc[nH]c(=O)c1 ZINC001220148315 824969384 /nfs/dbraw/zinc/96/93/84/824969384.db2.gz VXRPICAEMVUHGZ-NSHDSACASA-N 2 2 275.312 -0.293 20 0 CBADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)NC[C@H]1C[C@H](F)C1 ZINC001220148222 824969676 /nfs/dbraw/zinc/96/96/76/824969676.db2.gz QYXLUHPGJGLTPH-CKYFFXLPSA-N 2 2 272.368 -0.399 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001220149926 824969971 /nfs/dbraw/zinc/96/99/71/824969971.db2.gz IHHIYHHLKHDPIB-NGZCFLSTSA-N 3 2 251.334 -0.857 20 0 CBADLP COC(=O)[C@@H]([NH3+])CCC(=O)NC1C[NH+](C(C)C)C1 ZINC001220158602 824972611 /nfs/dbraw/zinc/97/26/11/824972611.db2.gz BVIPYZCDKLUHQV-JTQLQIEISA-N 2 2 257.334 -0.524 20 0 CBADLP CC(C)[NH+]1CC(NC(=O)C[NH2+]C2CC[NH2+]CC2)C1 ZINC001220158813 824972765 /nfs/dbraw/zinc/97/27/65/824972765.db2.gz IFJVLYKFHFIGIM-UHFFFAOYSA-N 3 2 254.378 -0.463 20 0 CBADLP COC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001220163614 824974318 /nfs/dbraw/zinc/97/43/18/824974318.db2.gz SDMHVMOOHWKMEG-SUNKGSAMSA-N 2 2 283.372 -0.085 20 0 CBADLP Cc1ncc(CNC(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)cn1 ZINC001220176637 824978022 /nfs/dbraw/zinc/97/80/22/824978022.db2.gz IYTVJMJTHBKAMI-YPMHNXCESA-N 2 2 261.329 -0.647 20 0 CBADLP C[C@@H](NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)c1cncnc1 ZINC001220181639 824980711 /nfs/dbraw/zinc/98/07/11/824980711.db2.gz XGRRTPZJKAIOJA-KCJUWKMLSA-N 2 2 260.301 -0.053 20 0 CBADLP C[C@H](NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2)c1cncnc1 ZINC001220183459 824981365 /nfs/dbraw/zinc/98/13/65/824981365.db2.gz PTHXCALFOROEDX-WHIUSJLISA-N 2 2 261.329 -0.124 20 0 CBADLP O=C(NC[C@H]1CC[NH2+]CC1(F)F)[C@H]1[NH2+]CC[C@H]1O ZINC001220189268 824982148 /nfs/dbraw/zinc/98/21/48/824982148.db2.gz NLRIHOPLONOQJB-HLTSFMKQSA-N 2 2 263.288 -0.930 20 0 CBADLP [NH3+][C@H](C(=O)NC[C@H]1CC[NH2+]CC1(F)F)C1CC[NH2+]CC1 ZINC001220187153 824982167 /nfs/dbraw/zinc/98/21/67/824982167.db2.gz ZQMAXRBLGSBCOE-MNOVXSKESA-N 3 2 290.358 -0.326 20 0 CBADLP O=C(NC[C@H]1CC[NH2+]CC1(F)F)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220185377 824982665 /nfs/dbraw/zinc/98/26/65/824982665.db2.gz GVBYALGYFOAUKR-NXEZZACHSA-N 3 2 288.342 -0.844 20 0 CBADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)[C@H]1[NH2+]CC[C@@H]1O ZINC001220189267 824982764 /nfs/dbraw/zinc/98/27/64/824982764.db2.gz NLRIHOPLONOQJB-CIUDSAMLSA-N 2 2 263.288 -0.930 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCc2cc(OC3COC3)ccn2)C1 ZINC001220187146 824983635 /nfs/dbraw/zinc/98/36/35/824983635.db2.gz ZLVXRSGKULMKJP-RNCFNFMXSA-N 2 2 292.339 -0.835 20 0 CBADLP [NH3+]CCC[C@@H]([NH3+])C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC001220187007 824983645 /nfs/dbraw/zinc/98/36/45/824983645.db2.gz XDEQRGMJMPKXQA-DTWKUNHWSA-N 3 2 264.320 -0.586 20 0 CBADLP [NH3+]CCC[C@H]([NH3+])C(=O)NCC1([NH+]2CCCC2)COC1 ZINC001220197924 824983907 /nfs/dbraw/zinc/98/39/07/824983907.db2.gz WITAPCHNNGRCQB-NSHDSACASA-N 3 2 270.377 -0.966 20 0 CBADLP CC1(C)C[C@H](CNC(=O)[C@H](N)C[NH+]2CCC([NH3+])CC2)O1 ZINC001220200504 824985545 /nfs/dbraw/zinc/98/55/45/824985545.db2.gz MIRMCMROXSNUTA-VXGBXAGGSA-N 2 2 284.404 -0.580 20 0 CBADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)NC[C@@H]2CNC(=O)C2)cc1 ZINC001220203128 824986052 /nfs/dbraw/zinc/98/60/52/824986052.db2.gz WVCISFXGCOGOAH-CABZTGNLSA-N 2 2 276.340 -0.489 20 0 CBADLP CC1(C)C[C@H](CNC(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)O1 ZINC001220200683 824986240 /nfs/dbraw/zinc/98/62/40/824986240.db2.gz RFAYJYIOPDSQNJ-BREBYQMCSA-N 2 2 253.346 -0.378 20 0 CBADLP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001220220719 824989373 /nfs/dbraw/zinc/98/93/73/824989373.db2.gz BXZLQZBGRHRFGE-RHYQMDGZSA-N 3 2 254.378 -0.335 20 0 CBADLP CCOC(CCNC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2)OCC ZINC001220230209 824990771 /nfs/dbraw/zinc/99/07/71/824990771.db2.gz DUTCJVRJCCJTFC-BXUZGUMPSA-N 2 2 285.388 -0.157 20 0 CBADLP O=C(NCc1nnc[nH]1)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220250403 824994957 /nfs/dbraw/zinc/99/49/57/824994957.db2.gz ZQBBOLWGIUVOIW-SECBINFHSA-N 2 2 264.333 -0.705 20 0 CBADLP CN1C[C@@H](CNC(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)CC1=O ZINC001220246145 824995233 /nfs/dbraw/zinc/99/52/33/824995233.db2.gz ZLVIBRDOCQLSDP-MFKMUULPSA-N 2 2 290.367 -0.147 20 0 CBADLP C[NH+](C)CC(C)(C)CNC(=O)[C@@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001220254174 824996642 /nfs/dbraw/zinc/99/66/42/824996642.db2.gz LKUZRKJXQAHKEA-ZDUSSCGKSA-N 3 2 299.463 -0.559 20 0 CBADLP O=C(N[C@@H]1CCc2n[nH]cc2C1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220260714 824997673 /nfs/dbraw/zinc/99/76/73/824997673.db2.gz DWVGWECDIIMWRW-MISXGVKJSA-N 2 2 275.356 -0.665 20 0 CBADLP Cc1[nH+]c[nH]c1CSCCNC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001220257109 824998064 /nfs/dbraw/zinc/99/80/64/824998064.db2.gz NWTYEZYDIXRCBV-NXEZZACHSA-N 2 2 284.385 -0.210 20 0 CBADLP Cc1[nH+]c[nH]c1CSCCNC(=O)[C@H]1C[NH2+]C[C@H]1O ZINC001220256935 824998543 /nfs/dbraw/zinc/99/85/43/824998543.db2.gz JJTLAQYCOYDCJF-GXSJLCMTSA-N 2 2 284.385 -0.352 20 0 CBADLP [NH3+]C1(C(=O)N[C@H]2CCc3n[nH]cc3C2)CC[NH2+]CC1 ZINC001220261207 824998647 /nfs/dbraw/zinc/99/86/47/824998647.db2.gz URVQPYCANNQGEE-JTQLQIEISA-N 2 2 263.345 -0.536 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NC1COC(C)(C)OC1 ZINC001220270703 824999731 /nfs/dbraw/zinc/99/97/31/824999731.db2.gz CUAXLDLBDCQAMS-NSHDSACASA-N 2 2 282.344 -0.442 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCCC(=O)Nc2ccc(F)cc2)C1 ZINC001220268261 824999855 /nfs/dbraw/zinc/99/98/55/824999855.db2.gz BCJMRXQFSHXHOE-PWSUYJOCSA-N 2 2 294.330 -0.040 20 0 CBADLP Cn1nccc1C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220271887 825000422 /nfs/dbraw/zinc/00/04/22/825000422.db2.gz LEKPPIQNHIESDK-OLZOCXBDSA-N 2 2 295.387 -0.967 20 0 CBADLP Cn1nccc1C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220271887 825000430 /nfs/dbraw/zinc/00/04/30/825000430.db2.gz LEKPPIQNHIESDK-OLZOCXBDSA-N 2 2 295.387 -0.967 20 0 CBADLP COCCn1c[nH+]cc1CNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001220274381 825000974 /nfs/dbraw/zinc/00/09/74/825000974.db2.gz AEBPHNKRXVBBIE-GDNZZTSVSA-N 2 2 264.329 -0.389 20 0 CBADLP Cn1cc(C[N@H+]2C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C2)cn1 ZINC001220271972 825001636 /nfs/dbraw/zinc/00/16/36/825001636.db2.gz NJGORHRGISRPNC-OLZOCXBDSA-N 2 2 295.387 -0.967 20 0 CBADLP Cn1cc(C[N@@H+]2C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C2)cn1 ZINC001220271972 825001644 /nfs/dbraw/zinc/00/16/44/825001644.db2.gz NJGORHRGISRPNC-OLZOCXBDSA-N 2 2 295.387 -0.967 20 0 CBADLP Cc1oncc1C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220275050 825002422 /nfs/dbraw/zinc/00/24/22/825002422.db2.gz NCAUVGJQTABMOU-OLZOCXBDSA-N 2 2 296.371 -0.404 20 0 CBADLP Cc1oncc1C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220275050 825002430 /nfs/dbraw/zinc/00/24/30/825002430.db2.gz NCAUVGJQTABMOU-OLZOCXBDSA-N 2 2 296.371 -0.404 20 0 CBADLP Cc1ncoc1C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220276952 825002827 /nfs/dbraw/zinc/00/28/27/825002827.db2.gz ONLDKJAVWBVOSZ-NEPJUHHUSA-N 2 2 296.371 -0.404 20 0 CBADLP Cc1ncoc1C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220276952 825002833 /nfs/dbraw/zinc/00/28/33/825002833.db2.gz ONLDKJAVWBVOSZ-NEPJUHHUSA-N 2 2 296.371 -0.404 20 0 CBADLP COCCn1c[nH+]cc1CNC(=O)CN1CC[NH2+]CC1 ZINC001220274504 825002936 /nfs/dbraw/zinc/00/29/36/825002936.db2.gz FQVGXOFUHGDVAK-UHFFFAOYSA-N 2 2 281.360 -0.949 20 0 CBADLP COCCn1cncc1CNC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001220274735 825003462 /nfs/dbraw/zinc/00/34/62/825003462.db2.gz OREASAOPKXHOMI-UHFFFAOYSA-N 2 2 281.360 -0.773 20 0 CBADLP O=C(NCCc1cn2ccccc2n1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220278353 825005075 /nfs/dbraw/zinc/00/50/75/825005075.db2.gz OEOLYDQZKATHDG-FPMFFAJLSA-N 2 2 299.378 -0.057 20 0 CBADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)N[C@H]2COC(=O)C2)cc1 ZINC001220296033 825006394 /nfs/dbraw/zinc/00/63/94/825006394.db2.gz FFIVOWCUZBZBIT-MNOVXSKESA-N 2 2 263.297 -0.310 20 0 CBADLP C[C@H]1[NH2+]CCC[C@@H]1C(=O)N[C@@H](CO)Cc1c[nH]c[nH+]1 ZINC001220290626 825006597 /nfs/dbraw/zinc/00/65/97/825006597.db2.gz ARSMPRFRAWPXPQ-JLLWLGSASA-N 2 2 266.345 -0.183 20 0 CBADLP C[C@H]1[NH2+]CCC[C@@H]1C(=O)N[C@@H](CO)Cc1c[nH+]c[nH]1 ZINC001220290626 825006604 /nfs/dbraw/zinc/00/66/04/825006604.db2.gz ARSMPRFRAWPXPQ-JLLWLGSASA-N 2 2 266.345 -0.183 20 0 CBADLP C[NH2+][C@@H](CCCC[NH3+])C(=O)N[C@@H](CO)Cc1c[nH]c[nH+]1 ZINC001220290716 825007043 /nfs/dbraw/zinc/00/70/43/825007043.db2.gz CIFCOKOPTOJKFU-NEPJUHHUSA-N 3 2 283.376 -0.854 20 0 CBADLP C[NH2+][C@@H](CCCC[NH3+])C(=O)N[C@@H](CO)Cc1c[nH+]c[nH]1 ZINC001220290716 825007048 /nfs/dbraw/zinc/00/70/48/825007048.db2.gz CIFCOKOPTOJKFU-NEPJUHHUSA-N 3 2 283.376 -0.854 20 0 CBADLP C[C@H](NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)c1cnn(C)c1 ZINC001220309139 825012029 /nfs/dbraw/zinc/01/20/29/825012029.db2.gz UVOFEJMVLZGRMA-FSZOTQKASA-N 2 2 263.345 -0.453 20 0 CBADLP C[C@H](NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)c1cnn(C)c1 ZINC001220309384 825012567 /nfs/dbraw/zinc/01/25/67/825012567.db2.gz XNZXNWHAPGXYOL-KWQFWETISA-N 2 2 262.317 -0.110 20 0 CBADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220316893 825014055 /nfs/dbraw/zinc/01/40/55/825014055.db2.gz UMJBYDSKNMAEMN-OUCADQQQSA-N 3 2 293.371 -0.693 20 0 CBADLP [NH3+]C1(C(=O)N[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)CC[NH2+]CC1 ZINC001220321447 825015641 /nfs/dbraw/zinc/01/56/41/825015641.db2.gz UFCXUUUQWYEQAW-AAEUAGOBSA-N 3 2 282.388 -0.905 20 0 CBADLP O=C(N[C@@H]1CC12CCOCC2)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220329283 825016616 /nfs/dbraw/zinc/01/66/16/825016616.db2.gz LDEXCXULVYNGKI-NNYUYHANSA-N 2 2 265.357 -0.378 20 0 CBADLP O=C(NCc1ccc(Cl)nn1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220368427 825020876 /nfs/dbraw/zinc/02/08/76/825020876.db2.gz DWPJTUPQCXWVAH-UJNFCWOMSA-N 2 2 281.747 -0.304 20 0 CBADLP C[C@@H](NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1)c1cnccn1 ZINC001220369474 825020957 /nfs/dbraw/zinc/02/09/57/825020957.db2.gz WSYWLZGKHHHDOG-PSASIEDQSA-N 2 2 260.301 -0.053 20 0 CBADLP CCOC(=O)C1(CNC(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)CCC1 ZINC001220371530 825021363 /nfs/dbraw/zinc/02/13/63/825021363.db2.gz VOQDLUHOIFXSRO-IAQYHMDHSA-N 2 2 295.383 -0.213 20 0 CBADLP O=C(NCc1ccc(Cl)nn1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220368716 825021780 /nfs/dbraw/zinc/02/17/80/825021780.db2.gz KZDPBKKKEXESAW-PRHODGIISA-N 2 2 281.747 -0.302 20 0 CBADLP C[NH+](C)CCC(C)(C)NC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220385925 825026191 /nfs/dbraw/zinc/02/61/91/825026191.db2.gz DKLRFXIHNAKHNC-RISCZKNCSA-N 3 2 268.405 -0.216 20 0 CBADLP COc1ccc(CCNC(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)nc1 ZINC001220396630 825029694 /nfs/dbraw/zinc/02/96/94/825029694.db2.gz FYIJEFKCYGEOEN-NHYWBVRUSA-N 2 2 290.367 -0.300 20 0 CBADLP COC(=O)[C@@H]1CC[C@H](NC(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)C1 ZINC001220405829 825031319 /nfs/dbraw/zinc/03/13/19/825031319.db2.gz DQPVWJJPYILOGK-SCVCMEIPSA-N 2 2 294.355 -0.252 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NC[C@H](CO)Cc2ccccc2)C1 ZINC001220406570 825032597 /nfs/dbraw/zinc/03/25/97/825032597.db2.gz SWDYZWHLYHPKBT-MCIONIFRSA-N 2 2 277.368 -0.357 20 0 CBADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CO)C(F)(F)F ZINC001220447150 825041726 /nfs/dbraw/zinc/04/17/26/825041726.db2.gz CUCZVQPDVKEFLC-BQBZGAKWSA-N 2 2 266.223 -0.681 20 0 CBADLP O=C(NC[C@H](O)C1CCCCC1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220467070 825044786 /nfs/dbraw/zinc/04/47/86/825044786.db2.gz LVVKBZIMAOLWLB-YDHLFZDLSA-N 2 2 281.400 -0.005 20 0 CBADLP O=C(NC[C@H](O)C1CCCCC1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220467068 825045106 /nfs/dbraw/zinc/04/51/06/825045106.db2.gz LVVKBZIMAOLWLB-KCQAQPDRSA-N 2 2 281.400 -0.005 20 0 CBADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)N2C[C@H](O)C[C@@H]2CO)cc1 ZINC001220481489 825048994 /nfs/dbraw/zinc/04/89/94/825048994.db2.gz JCSBWCOSPSMJAF-JHJVBQTASA-N 2 2 279.340 -0.787 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NCC1([NH3+])CCCC1 ZINC001220494720 825049437 /nfs/dbraw/zinc/04/94/37/825049437.db2.gz RHDDAVLOWCSERI-NSHDSACASA-N 3 2 265.361 -0.322 20 0 CBADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)NCC1([NH3+])CCCC1 ZINC001220497062 825050169 /nfs/dbraw/zinc/05/01/69/825050169.db2.gz JGXXTQFZWGNFHO-GFCCVEGCSA-N 3 2 283.420 -0.876 20 0 CBADLP C[C@@H]1COCC[C@@H]1NC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220566001 825062672 /nfs/dbraw/zinc/06/26/72/825062672.db2.gz WTOBPEHAJRHLMV-DCQANWLSSA-N 2 2 253.346 -0.521 20 0 CBADLP [NH3+][C@@H](CC(F)F)C(=O)NCC[NH+]1CC2(COC2)C1 ZINC001220571305 825066271 /nfs/dbraw/zinc/06/62/71/825066271.db2.gz OFHHVMUEZKSRFF-QMMMGPOBSA-N 2 2 263.288 -0.583 20 0 CBADLP [NH3+][C@@H](CC1CCC1)C(=O)NCC[NH+]1CC2(COC2)C1 ZINC001220571212 825066648 /nfs/dbraw/zinc/06/66/48/825066648.db2.gz LVBGFPLXKKAZFQ-LBPRGKRZSA-N 2 2 267.373 -0.048 20 0 CBADLP CC(C)(O)CCCNC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220573406 825067522 /nfs/dbraw/zinc/06/75/22/825067522.db2.gz LTDDBAAHQORYDC-GWCFXTLKSA-N 2 2 255.362 -0.395 20 0 CBADLP CC(C)(O)CCCNC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220573407 825068568 /nfs/dbraw/zinc/06/85/68/825068568.db2.gz LTDDBAAHQORYDC-GXFFZTMASA-N 2 2 255.362 -0.395 20 0 CBADLP COC(=O)[C@H](NC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2)C(F)(F)F ZINC001220588456 825071241 /nfs/dbraw/zinc/07/12/41/825071241.db2.gz UAWAQVYJDZAYGU-MATHAZKKSA-N 2 2 295.261 -0.842 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N[C@@H]1CCc2ccc(O)cc2C1 ZINC001220592349 825074041 /nfs/dbraw/zinc/07/40/41/825074041.db2.gz HMZSMXZQNSVLDY-XBFCOCLRSA-N 2 2 275.352 -0.088 20 0 CBADLP C[C@@H](NC(=O)C1([NH3+])CC[NH2+]CC1)c1ncc(F)cn1 ZINC001220599536 825075292 /nfs/dbraw/zinc/07/52/92/825075292.db2.gz XPESZOXSBNMSKL-MRVPVSSYSA-N 2 2 267.308 -0.126 20 0 CBADLP CCOC(=O)[C@@H]1CCC[C@@H]1NC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220660533 825082985 /nfs/dbraw/zinc/08/29/85/825082985.db2.gz IMTZCTVYOQGLRD-FJJYHAOUSA-N 2 2 295.383 -0.214 20 0 CBADLP CC(C)(C)NC(=O)CCNC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220708789 825089530 /nfs/dbraw/zinc/08/95/30/825089530.db2.gz HIOIAPDEIUMKHL-JTQLQIEISA-N 2 2 281.360 -0.300 20 0 CBADLP C[C@](CO)(NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)c1ccccc1 ZINC001220712235 825090564 /nfs/dbraw/zinc/09/05/64/825090564.db2.gz XVPGWHFGQCOHDD-YYWXWVFPSA-N 2 2 289.379 -0.040 20 0 CBADLP C[C@](CO)(NC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2)c1ccccc1 ZINC001220711719 825091943 /nfs/dbraw/zinc/09/19/43/825091943.db2.gz RRZRQSKHZXARFY-BMFZPTHFSA-N 2 2 289.379 -0.038 20 0 CBADLP COC(CCCNC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2)OC ZINC001220741720 825095625 /nfs/dbraw/zinc/09/56/25/825095625.db2.gz QRQNODJLKQWOFH-GWCFXTLKSA-N 2 2 271.361 -0.547 20 0 CBADLP COC(CCCNC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)OC ZINC001220742725 825096512 /nfs/dbraw/zinc/09/65/12/825096512.db2.gz ZIPLSQWUSYTHBU-GARJFASQSA-N 2 2 271.361 -0.548 20 0 CBADLP O=C(NCCC1CCC(O)CC1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220756530 825098313 /nfs/dbraw/zinc/09/83/13/825098313.db2.gz FMDXAPVDAKVWLL-PQNSMMMDSA-N 2 2 281.400 -0.005 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N[C@@H]1C[C@@H](O)C1(C)C ZINC001220765686 825098815 /nfs/dbraw/zinc/09/88/15/825098815.db2.gz CMFBRQHVUVPZJI-HBNTYKKESA-N 2 2 266.345 -0.435 20 0 CBADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)[C@@H]1CCCC[NH2+]1 ZINC001220769025 825099282 /nfs/dbraw/zinc/09/92/82/825099282.db2.gz GZYREZCVTALLQG-NWDGAFQWSA-N 2 2 294.355 -0.238 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NC[C@H]1CC[NH2+][C@@H]1c1cccnc1 ZINC001220789075 825102196 /nfs/dbraw/zinc/10/21/96/825102196.db2.gz JAFHXVZGWHOQCK-ZOBORPQBSA-N 3 2 289.383 -0.605 20 0 CBADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)NC[C@H]2CC[NH2+][C@H]2c2cccnc2)C1 ZINC001220788592 825102915 /nfs/dbraw/zinc/10/29/15/825102915.db2.gz FHEMOSDFFAZQHA-RFGFWPKPSA-N 3 2 289.383 -0.462 20 0 CBADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N[C@@H]2CC[NH2+]C[C@H]2C(F)(F)F)C1 ZINC001220806044 825104075 /nfs/dbraw/zinc/10/40/75/825104075.db2.gz XEXRLXJMJRDRRX-KDXUFGMBSA-N 3 2 280.294 -0.668 20 0 CBADLP [NH3+]C1(C(=O)N[C@H]2CC[NH2+]C[C@@H]2C(F)(F)F)CC[NH2+]CC1 ZINC001220803493 825104755 /nfs/dbraw/zinc/10/47/55/825104755.db2.gz HSRQOLWPMGLWQM-IUCAKERBSA-N 3 2 294.321 -0.276 20 0 CBADLP COc1ccc(CNC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])c(OC)n1 ZINC001220824178 825106930 /nfs/dbraw/zinc/10/69/30/825106930.db2.gz ZPIVSBKARDHCDD-UWVGGRQHSA-N 2 2 280.328 -0.738 20 0 CBADLP CCOC(=O)[C@H](C)CNC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220848705 825110441 /nfs/dbraw/zinc/11/04/41/825110441.db2.gz GMHWBBSXAHUODL-GIPNMCIBSA-N 2 2 269.345 -0.747 20 0 CBADLP CCOC(=O)[C@H](C)CNC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220848703 825110945 /nfs/dbraw/zinc/11/09/45/825110945.db2.gz GMHWBBSXAHUODL-BREBYQMCSA-N 2 2 269.345 -0.747 20 0 CBADLP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220857774 825114098 /nfs/dbraw/zinc/11/40/98/825114098.db2.gz RCVOGWBQURAVTM-MMWGEVLESA-N 3 2 254.378 -0.574 20 0 CBADLP COC(=O)[C@H]1C[C@H]1CNC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001220881312 825119019 /nfs/dbraw/zinc/11/90/19/825119019.db2.gz IHJMUTWLOLMYGK-PEKFWTHZSA-N 2 2 267.329 -0.867 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N[C@H]1CCC[NH2+]C1 ZINC001220882149 825119683 /nfs/dbraw/zinc/11/96/83/825119683.db2.gz SMHIKWMZKQMDAJ-ONGXEEELSA-N 3 2 251.334 -0.842 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](C(=O)N[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC001220887281 825121043 /nfs/dbraw/zinc/12/10/43/825121043.db2.gz YYPAQMIRRPVJRS-DCAQKATOSA-N 2 2 269.345 -0.604 20 0 CBADLP CCC(=O)N1CC[C@H](NC(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)C1 ZINC001220907398 825122278 /nfs/dbraw/zinc/12/22/78/825122278.db2.gz PXPPQQLEAGFGPC-JQWIXIFHSA-N 2 2 293.371 -0.583 20 0 CBADLP COC(=O)C[C@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])c1ccccn1 ZINC001220901360 825122981 /nfs/dbraw/zinc/12/29/81/825122981.db2.gz WVSOFJHERKBNLO-NHCYSSNCSA-N 2 2 292.339 -0.651 20 0 CBADLP CCC(=O)N1CC[C@H](NC(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)C1 ZINC001220907476 825123819 /nfs/dbraw/zinc/12/38/19/825123819.db2.gz UAPLEALXCLXBIM-UHIISALHSA-N 2 2 280.372 -0.935 20 0 CBADLP Cc1noc(C2(NC(=O)[C@@H]3C[C@H]4C[NH2+]C[C@H]4[NH2+]3)CC2)n1 ZINC001220932555 825125254 /nfs/dbraw/zinc/12/52/54/825125254.db2.gz NIIZONZWASFEKF-LPEHRKFASA-N 2 2 277.328 -0.567 20 0 CBADLP N[C@]1(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CCC[NH2+]C1 ZINC001220934882 825125939 /nfs/dbraw/zinc/12/59/39/825125939.db2.gz YBRSERNDBYTGRB-IUODEOHRSA-N 2 2 289.383 -0.143 20 0 CBADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)[C@H]1[NH2+]CC[C@H]1O ZINC001220934064 825125971 /nfs/dbraw/zinc/12/59/71/825125971.db2.gz IKYDZNNXOQDRFP-WZRBSPASSA-N 2 2 276.340 -0.501 20 0 CBADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)[C@H]1C[NH2+]C[C@@H]1O ZINC001220933881 825126150 /nfs/dbraw/zinc/12/61/50/825126150.db2.gz DTMLKGOWQJAHIE-WOPDTQHZSA-N 2 2 276.340 -0.643 20 0 CBADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)[C@@H]1C[NH2+]C[C@@H]1O ZINC001220933880 825126425 /nfs/dbraw/zinc/12/64/25/825126425.db2.gz DTMLKGOWQJAHIE-UTUOFQBUSA-N 2 2 276.340 -0.643 20 0 CBADLP [NH3+]CC[C@H]([NH3+])C(=O)NCC(=O)NCc1ccc(F)cc1 ZINC001220938762 825127055 /nfs/dbraw/zinc/12/70/55/825127055.db2.gz CHUVAOOBGMWVGY-NSHDSACASA-N 2 2 282.319 -0.766 20 0 CBADLP C[C@@H]1C[C@H](NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)CCO1 ZINC001221007810 825133682 /nfs/dbraw/zinc/13/36/82/825133682.db2.gz DJGYYCLSMILKFM-KKZNHRDASA-N 2 2 252.318 -0.037 20 0 CBADLP C[C@H]1C[C@@H](NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)CCO1 ZINC001221008115 825135419 /nfs/dbraw/zinc/13/54/19/825135419.db2.gz JVNMITXLYHQOPB-ONYIWYLUSA-N 2 2 253.346 -0.108 20 0 CBADLP COC[C@H](NC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C)C1CC1 ZINC001221013617 825137663 /nfs/dbraw/zinc/13/76/63/825137663.db2.gz VBDLJEUSWDAMRH-RYUDHWBXSA-N 2 2 266.345 -0.169 20 0 CBADLP O=C(NCc1cn(CC2CC2)cn1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001221023222 825138396 /nfs/dbraw/zinc/13/83/96/825138396.db2.gz DYNPQVILSSVVMA-WFASDCNBSA-N 2 2 289.383 -0.139 20 0 CBADLP O=C(NCc1cn(CC2CC2)cn1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001221023195 825138808 /nfs/dbraw/zinc/13/88/08/825138808.db2.gz DKKIXOXHYNUMGI-FPMFFAJLSA-N 2 2 289.383 -0.141 20 0 CBADLP O=C(NCc1cn(CC2CC2)cn1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001221023221 825139130 /nfs/dbraw/zinc/13/91/30/825139130.db2.gz DYNPQVILSSVVMA-SWLSCSKDSA-N 2 2 289.383 -0.139 20 0 CBADLP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@@H+](CCF)C[C@@H]1O ZINC001221081024 825141924 /nfs/dbraw/zinc/14/19/24/825141924.db2.gz BSNATVIGYKXPEA-OLZOCXBDSA-N 2 2 287.379 -0.007 20 0 CBADLP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@H+](CCF)C[C@@H]1O ZINC001221081024 825141930 /nfs/dbraw/zinc/14/19/30/825141930.db2.gz BSNATVIGYKXPEA-OLZOCXBDSA-N 2 2 287.379 -0.007 20 0 CBADLP Cc1nccnc1CNC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001221103598 825143927 /nfs/dbraw/zinc/14/39/27/825143927.db2.gz ODEUSIPHNMBORD-SNVBAGLBSA-N 2 2 260.301 -0.306 20 0 CBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NCc1ccnn1CCF ZINC001221108068 825145076 /nfs/dbraw/zinc/14/50/76/825145076.db2.gz NMDKMMLEPSICNV-UWVGGRQHSA-N 2 2 255.297 -0.985 20 0 CBADLP COCCC1([NH3+])CCN(C(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)CC1 ZINC001221134102 825146434 /nfs/dbraw/zinc/14/64/34/825146434.db2.gz KZZCVYHSFHHKIM-WFASDCNBSA-N 3 2 296.415 -0.706 20 0 CBADLP COCCC1([NH3+])CCN(C(=O)C2([NH3+])CC[NH2+]CC2)CC1 ZINC001221133961 825146634 /nfs/dbraw/zinc/14/66/34/825146634.db2.gz DOBLARGPIGRPIS-UHFFFAOYSA-N 3 2 284.404 -0.576 20 0 CBADLP COCCC1([NH3+])CCN(C(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)CC1 ZINC001221134099 825146902 /nfs/dbraw/zinc/14/69/02/825146902.db2.gz KZZCVYHSFHHKIM-DOMZBBRYSA-N 3 2 296.415 -0.706 20 0 CBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCc2cc3ccccn3n2)C1 ZINC001221234066 825156789 /nfs/dbraw/zinc/15/67/89/825156789.db2.gz BCVDYAUZMRFTSN-SKDRFNHKSA-N 2 2 259.313 -0.360 20 0 CBADLP O=C(NCc1cc2ccccn2n1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001221234086 825157371 /nfs/dbraw/zinc/15/73/71/825157371.db2.gz BPZCSPXKDQTPPH-LEWSCRJBSA-N 2 2 285.351 -0.100 20 0 CBADLP O=C(NCc1cc2ccccn2n1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001221235065 825157883 /nfs/dbraw/zinc/15/78/83/825157883.db2.gz PTWVHJKJRMGOFD-NHYWBVRUSA-N 2 2 285.351 -0.098 20 0 CBADLP C[N@@H+]1CCC[C@@](C)(NC(=O)[C@H](N)C[NH+]2CCC([NH3+])CC2)C1 ZINC001221243746 825160821 /nfs/dbraw/zinc/16/08/21/825160821.db2.gz MGLGPWIEKITUKQ-UKRRQHHQSA-N 3 2 297.447 -0.663 20 0 CBADLP C[N@H+]1CCC[C@@](C)(NC(=O)[C@H](N)C[NH+]2CCC([NH3+])CC2)C1 ZINC001221243746 825160824 /nfs/dbraw/zinc/16/08/24/825160824.db2.gz MGLGPWIEKITUKQ-UKRRQHHQSA-N 3 2 297.447 -0.663 20 0 CBADLP O=C(NC[C@]1(CC2CC2)CCC[NH2+]1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001221246341 825162246 /nfs/dbraw/zinc/16/22/46/825162246.db2.gz YFYIXSWZXVLPAN-IMJJTQAJSA-N 3 2 292.427 -0.024 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N[C@@H]1CCCNC(=O)C1 ZINC001221268537 825165478 /nfs/dbraw/zinc/16/54/78/825165478.db2.gz AWVKZZCVIAHWHO-KOLCDFICSA-N 2 2 279.344 -0.925 20 0 CBADLP O=C(CNC(=O)C[NH2+]C1CC[NH2+]CC1)NCC(F)(F)F ZINC001221278418 825167192 /nfs/dbraw/zinc/16/71/92/825167192.db2.gz RNLHRBQPSJOIJA-UHFFFAOYSA-N 2 2 296.293 -0.877 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N[C@H]1CCC[C@H]1CO ZINC001221306338 825168617 /nfs/dbraw/zinc/16/86/17/825168617.db2.gz POVBUVNJVFIITJ-DLOVCJGASA-N 2 2 266.345 -0.433 20 0 CBADLP Cc1cnc(NC(=O)C2([NH3+])CC[NH2+]CC2)c(=O)[nH]1 ZINC001221328370 825171510 /nfs/dbraw/zinc/17/15/10/825171510.db2.gz KJITZJVIJGLRFR-UHFFFAOYSA-N 2 2 251.290 -0.902 20 0 CBADLP O=C(NCc1cnc(Cl)cn1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001221319288 825171519 /nfs/dbraw/zinc/17/15/19/825171519.db2.gz UONRESBJCWBLGI-PELKAZGASA-N 2 2 281.747 -0.302 20 0 CBADLP CC(C)(C)[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H](N)C[NH3+] ZINC001221359620 825175690 /nfs/dbraw/zinc/17/56/90/825175690.db2.gz XVRZWYZKGSFGNN-QWRGUYRKSA-N 2 2 272.393 -0.865 20 0 CBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]CC[C@H]1F ZINC001221365330 825175884 /nfs/dbraw/zinc/17/58/84/825175884.db2.gz CBDBJQOFTZXIPH-OUAUKWLOSA-N 3 2 269.324 -0.894 20 0 CBADLP CC(C)(C)[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001221356988 825176092 /nfs/dbraw/zinc/17/60/92/825176092.db2.gz FEACNCYJANKRAH-RWMBFGLXSA-N 2 2 299.415 -0.428 20 0 CBADLP CC(C)(C)[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]1[NH2+]CC[C@@H]1O ZINC001221358863 825176112 /nfs/dbraw/zinc/17/61/12/825176112.db2.gz RUMVMALWJXREDG-XQQFMLRXSA-N 2 2 299.415 -0.428 20 0 CBADLP CCCC(C[NH3+])(CCC)NC(=O)CN1CC[NH2+]CC1=O ZINC001221371152 825177918 /nfs/dbraw/zinc/17/79/18/825177918.db2.gz CKNTWXQFRVVNMB-UHFFFAOYSA-N 2 2 284.404 -0.168 20 0 CBADLP O=C(NC[C@@H](CO)c1ccccc1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001221377415 825179066 /nfs/dbraw/zinc/17/90/66/825179066.db2.gz NMPFEZFGGGCEKE-DZKIICNBSA-N 2 2 289.379 -0.170 20 0 CBADLP C[C@]1(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)CCCOC1 ZINC001221402594 825183176 /nfs/dbraw/zinc/18/31/76/825183176.db2.gz JCDOVUMXAXNRPS-JQWIXIFHSA-N 2 2 252.318 -0.035 20 0 CBADLP C[C@]1(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)CCCOC1 ZINC001221402904 825183391 /nfs/dbraw/zinc/18/33/91/825183391.db2.gz NQUPNRHTKXOKKQ-AAXDQBDMSA-N 2 2 253.346 -0.107 20 0 CBADLP COc1cccc([C@@H](C[NH3+])NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])c1 ZINC001221405725 825184408 /nfs/dbraw/zinc/18/44/08/825184408.db2.gz VTSDKZLHRMTHSM-RWMBFGLXSA-N 3 2 278.356 -0.642 20 0 CBADLP COc1cccc([C@H](C[NH3+])NC(=O)C2([NH3+])CC[NH2+]CC2)c1 ZINC001221406541 825184438 /nfs/dbraw/zinc/18/44/38/825184438.db2.gz SGHIHMJJQVBHJL-ZDUSSCGKSA-N 3 2 292.383 -0.108 20 0 CBADLP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@@H+](CC(N)=O)C[C@H]21 ZINC001221919266 825197688 /nfs/dbraw/zinc/19/76/88/825197688.db2.gz GIRMVVVVOJLDPR-VXGBXAGGSA-N 2 2 282.388 -0.654 20 0 CBADLP CC[N@H+](C)CCC(=O)N1C[C@H]2CC[NH+](CC(N)=O)C[C@H]21 ZINC001221919266 825197679 /nfs/dbraw/zinc/19/76/79/825197679.db2.gz GIRMVVVVOJLDPR-VXGBXAGGSA-N 2 2 282.388 -0.654 20 0 CBADLP CC[N@@H+](C)CCC(=O)N1C[C@H]2CC[NH+](CC(N)=O)C[C@H]21 ZINC001221919266 825197683 /nfs/dbraw/zinc/19/76/83/825197683.db2.gz GIRMVVVVOJLDPR-VXGBXAGGSA-N 2 2 282.388 -0.654 20 0 CBADLP CC[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](CC(N)=O)C[C@H]21 ZINC001221919266 825197685 /nfs/dbraw/zinc/19/76/85/825197685.db2.gz GIRMVVVVOJLDPR-VXGBXAGGSA-N 2 2 282.388 -0.654 20 0 CBADLP O=c1ccc(CN2CC[NH2+]C3(CC[NH2+]CC3)C2)n[nH]1 ZINC001222099843 825200357 /nfs/dbraw/zinc/20/03/57/825200357.db2.gz NBUNHFUXXXSWGH-UHFFFAOYSA-N 2 2 263.345 -0.290 20 0 CBADLP NC(=O)C[NH+]1CCC(CNC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001223042744 825226137 /nfs/dbraw/zinc/22/61/37/825226137.db2.gz GKMBLRZTBVZHCH-UHFFFAOYSA-N 2 2 293.371 -0.344 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CCC(NC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001227139274 825297028 /nfs/dbraw/zinc/29/70/28/825297028.db2.gz YOGAHWCPRAMZTN-SNVBAGLBSA-N 2 2 293.371 -0.203 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)NC1CC[NH+](CCO)CC1 ZINC001227714923 825308527 /nfs/dbraw/zinc/30/85/27/825308527.db2.gz LZMGXGJVYKVUNJ-UHFFFAOYSA-N 2 2 266.345 -0.085 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)NC1CC[NH+](CCO)CC1 ZINC001227714923 825308535 /nfs/dbraw/zinc/30/85/35/825308535.db2.gz LZMGXGJVYKVUNJ-UHFFFAOYSA-N 2 2 266.345 -0.085 20 0 CBADLP COC[C@H](O)C[NH+]1CCC(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001230438366 825348392 /nfs/dbraw/zinc/34/83/92/825348392.db2.gz LOSKOOITBKWYCJ-CYBMUJFWSA-N 2 2 296.371 -0.529 20 0 CBADLP CCOCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001231369815 825406356 /nfs/dbraw/zinc/40/63/56/825406356.db2.gz WLBWKQUXYRQXDB-KBPBESRZSA-N 2 2 299.415 -0.114 20 0 CBADLP CCOCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001231369815 825406359 /nfs/dbraw/zinc/40/63/59/825406359.db2.gz WLBWKQUXYRQXDB-KBPBESRZSA-N 2 2 299.415 -0.114 20 0 CBADLP CCOCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001231369815 825406361 /nfs/dbraw/zinc/40/63/61/825406361.db2.gz WLBWKQUXYRQXDB-KBPBESRZSA-N 2 2 299.415 -0.114 20 0 CBADLP CCOCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001231369815 825406363 /nfs/dbraw/zinc/40/63/63/825406363.db2.gz WLBWKQUXYRQXDB-KBPBESRZSA-N 2 2 299.415 -0.114 20 0 CBADLP CN(C[C@@H]1CC[N@@H+]1CCO)C(=O)CCc1[nH]cc[nH+]1 ZINC001233977246 825443961 /nfs/dbraw/zinc/44/39/61/825443961.db2.gz MNLKWJMCNVKVOX-NSHDSACASA-N 2 2 266.345 -0.133 20 0 CBADLP CN(C[C@@H]1CC[N@H+]1CCO)C(=O)CCc1[nH]cc[nH+]1 ZINC001233977246 825443967 /nfs/dbraw/zinc/44/39/67/825443967.db2.gz MNLKWJMCNVKVOX-NSHDSACASA-N 2 2 266.345 -0.133 20 0 CBADLP [NH3+][C@H]1NC(CN2CCN[C@@]3(CC[NH2+]C3)C2)=CS1 ZINC001235052362 825483870 /nfs/dbraw/zinc/48/38/70/825483870.db2.gz DJNCGTZZHIBLPV-WDEREUQCSA-N 2 2 255.391 -0.956 20 0 CBADLP [NH3+][C@@H]1NC(CN2CCN[C@]3(CC[NH2+]C3)C2)=CS1 ZINC001235052359 825484394 /nfs/dbraw/zinc/48/43/94/825484394.db2.gz DJNCGTZZHIBLPV-MNOVXSKESA-N 2 2 255.391 -0.956 20 0 CBADLP COC(=O)[C@H]1C[N@H+](CC[C@H]2CCCC[NH2+]2)CCN1 ZINC001235444205 825496510 /nfs/dbraw/zinc/49/65/10/825496510.db2.gz NUSMXVJVSIGBJX-VXGBXAGGSA-N 2 2 255.362 -0.035 20 0 CBADLP COC(=O)[C@H]1C[N@@H+](CC[C@H]2CCCC[NH2+]2)CCN1 ZINC001235444205 825496514 /nfs/dbraw/zinc/49/65/14/825496514.db2.gz NUSMXVJVSIGBJX-VXGBXAGGSA-N 2 2 255.362 -0.035 20 0 CBADLP CN(C)C(=O)[C@@H]1CCO[C@@H]2CC[N@H+](CC[NH3+])C[C@@H]21 ZINC001235494130 825497767 /nfs/dbraw/zinc/49/77/67/825497767.db2.gz QITYROFKKPOKRV-IJLUTSLNSA-N 2 2 255.362 -0.240 20 0 CBADLP CN(C)C(=O)[C@@H]1CCO[C@@H]2CC[N@@H+](CC[NH3+])C[C@@H]21 ZINC001235494130 825497771 /nfs/dbraw/zinc/49/77/71/825497771.db2.gz QITYROFKKPOKRV-IJLUTSLNSA-N 2 2 255.362 -0.240 20 0 CBADLP C[C@@H]([NH3+])C[N@@H+]1C[C@H]2CCN(S(=O)(=O)N(C)C)C[C@@H]2C1 ZINC001235613978 825507108 /nfs/dbraw/zinc/50/71/08/825507108.db2.gz ASYQNYGGYRWXNU-UTUOFQBUSA-N 2 2 290.433 -0.606 20 0 CBADLP C[C@@H]([NH3+])C[N@H+]1C[C@H]2CCN(S(=O)(=O)N(C)C)C[C@@H]2C1 ZINC001235613978 825507109 /nfs/dbraw/zinc/50/71/09/825507109.db2.gz ASYQNYGGYRWXNU-UTUOFQBUSA-N 2 2 290.433 -0.606 20 0 CBADLP CCOC(=O)C[C@H]1C(=O)NCC[N@H+]1CCCC[NH3+] ZINC001235667250 825509764 /nfs/dbraw/zinc/50/97/64/825509764.db2.gz WPHRZPDNZYYMLM-JTQLQIEISA-N 2 2 257.334 -0.521 20 0 CBADLP CCOC(=O)C[C@H]1C(=O)NCC[N@@H+]1CCCC[NH3+] ZINC001235667250 825509767 /nfs/dbraw/zinc/50/97/67/825509767.db2.gz WPHRZPDNZYYMLM-JTQLQIEISA-N 2 2 257.334 -0.521 20 0 CBADLP CC1(C)[NH2+]C[C@@H](C[NH+]2CCC3(CC2)NC(=O)NC3=O)O1 ZINC001236066968 825523271 /nfs/dbraw/zinc/52/32/71/825523271.db2.gz KZZVZHCXGUFZSN-VIFPVBQESA-N 2 2 282.344 -0.615 20 0 CBADLP COC(=O)[C@@H]1C[N@H+](CC2(C)CC[NH2+]CC2)C[C@H]1[NH3+] ZINC001236340004 825526789 /nfs/dbraw/zinc/52/67/89/825526789.db2.gz GWULVILKTCXGEO-GHMZBOCLSA-N 3 2 255.362 -0.192 20 0 CBADLP COC(=O)[C@@H]1C[N@@H+](CC2(C)CC[NH2+]CC2)C[C@H]1[NH3+] ZINC001236340004 825526796 /nfs/dbraw/zinc/52/67/96/825526796.db2.gz GWULVILKTCXGEO-GHMZBOCLSA-N 3 2 255.362 -0.192 20 0 CBADLP Nc1cccc(C[N@H+](CCC[NH3+])CC(=O)NCCC[NH3+])c1 ZINC001236310839 825527354 /nfs/dbraw/zinc/52/73/54/825527354.db2.gz AHUJCMLYMPACOV-UHFFFAOYSA-N 3 2 293.415 -0.115 20 0 CBADLP Nc1cccc(C[N@@H+](CCC[NH3+])CC(=O)NCCC[NH3+])c1 ZINC001236310839 825527356 /nfs/dbraw/zinc/52/73/56/825527356.db2.gz AHUJCMLYMPACOV-UHFFFAOYSA-N 3 2 293.415 -0.115 20 0 CBADLP COC(=O)[C@@H]1CN(C[C@@H]2[C@@H](C)C[NH2+]CC2(F)F)C[C@H]1[NH3+] ZINC001236346508 825529437 /nfs/dbraw/zinc/52/94/37/825529437.db2.gz ZNIQXHXFSRVCKW-LNFKQOIKSA-N 2 2 291.342 -0.091 20 0 CBADLP [NH3+]CCS(=O)(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC001238813368 825564736 /nfs/dbraw/zinc/56/47/36/825564736.db2.gz TVAJJLXPJWZACB-LLVKDONJSA-N 2 2 284.385 -0.072 20 0 CBADLP Cc1ccc(S(=O)(=O)NCC[NH2+]CC[NH3+])c(F)c1 ZINC001238839434 825566791 /nfs/dbraw/zinc/56/67/91/825566791.db2.gz ROEZGGLAYNMMJJ-UHFFFAOYSA-N 2 2 275.349 -0.039 20 0 CBADLP COC[C@H]1CN(S(=O)(=O)CC2CC[NH2+]CC2)CC[NH2+]1 ZINC001238986694 825581138 /nfs/dbraw/zinc/58/11/38/825581138.db2.gz UVZFBCIRMZAIAR-GFCCVEGCSA-N 2 2 291.417 -0.764 20 0 CBADLP Cc1ccc(N2CCN(S(=O)(=O)CC[NH3+])CC2)[nH+]c1 ZINC001239090657 825586407 /nfs/dbraw/zinc/58/64/07/825586407.db2.gz RINPNMAYUYXPHT-UHFFFAOYSA-N 2 2 284.385 -0.199 20 0 CBADLP [NH3+]CCS(=O)(=O)N1CC[NH2+]C[C@H]1c1cccs1 ZINC001239114829 825590234 /nfs/dbraw/zinc/59/02/34/825590234.db2.gz ZXXNOKTXCNVHDS-VIFPVBQESA-N 2 2 275.399 -0.017 20 0 CBADLP CC[C@H](C)NC(=S)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001239439780 825603875 /nfs/dbraw/zinc/60/38/75/825603875.db2.gz XKDXNLFNZKTDFT-LBPRGKRZSA-N 2 2 287.477 -0.256 20 0 CBADLP S=C(NC1CCCC1)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001239439155 825604026 /nfs/dbraw/zinc/60/40/26/825604026.db2.gz MEZPPZCEQNCHCB-UHFFFAOYSA-N 2 2 299.488 -0.112 20 0 CBADLP OC1(C[NH2+]C[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CC[NH2+]CC1 ZINC001245982257 825616380 /nfs/dbraw/zinc/61/63/80/825616380.db2.gz CSSXLANJEPBIMM-ZDUSSCGKSA-N 4 2 282.432 -0.435 20 0 CBADLP C[C@H]1CC[C@H]([NH2+]C[C@H](O)CC2(O)CC[NH2+]CC2)C[NH2+]1 ZINC001245970904 825616385 /nfs/dbraw/zinc/61/63/85/825616385.db2.gz CKMCJRJETYGJGS-RWMBFGLXSA-N 3 2 271.405 -0.418 20 0 CBADLP O[C@@]1(C[NH2+]C2CN(C3CC[NH2+]CC3)C2)CCC[NH2+]C1 ZINC001245989003 825617656 /nfs/dbraw/zinc/61/76/56/825617656.db2.gz KEYVMOMFEFGSCI-AWEZNQCLSA-N 3 2 268.405 -0.873 20 0 CBADLP CCOC(=O)[C@H]([NH3+])CNC[C@@H](O)C[NH+](CC)CC ZINC001246006017 825620558 /nfs/dbraw/zinc/62/05/58/825620558.db2.gz GKJLPYPRTUSQEY-GHMZBOCLSA-N 2 2 261.366 -0.831 20 0 CBADLP [NH3+]C[C@H]1CN(C[C@H](O)C[NH+]2CCOCC2)CCC1(F)F ZINC001246018534 825621847 /nfs/dbraw/zinc/62/18/47/825621847.db2.gz DULGGMRDOLTKNT-NWDGAFQWSA-N 2 2 293.358 -0.405 20 0 CBADLP [NH3+]C[C@H]1C[N@H+](C[C@@H](O)[C@@H]([NH3+])Cc2ccccc2)C[C@@H]1O ZINC001246020663 825622500 /nfs/dbraw/zinc/62/25/00/825622500.db2.gz JPWMQMZFTLIJOT-ZQDZILKHSA-N 3 2 279.384 -0.831 20 0 CBADLP [NH3+]C[C@H]1C[N@@H+](C[C@@H](O)[C@@H]([NH3+])Cc2ccccc2)C[C@@H]1O ZINC001246020663 825622503 /nfs/dbraw/zinc/62/25/03/825622503.db2.gz JPWMQMZFTLIJOT-ZQDZILKHSA-N 3 2 279.384 -0.831 20 0 CBADLP Cc1ccccc1OC[C@H](O)C[NH2+]C[C@H]1C[NH2+]CCN1 ZINC001246017790 825623067 /nfs/dbraw/zinc/62/30/67/825623067.db2.gz ZQWPIJKGCKONRU-ZIAGYGMSSA-N 2 2 279.384 -0.114 20 0 CBADLP [NH3+][C@@H]1C[C@H](F)CN(C[C@H](O)C[NH+]2CCOCC2)C1 ZINC001246021005 825624788 /nfs/dbraw/zinc/62/47/88/825624788.db2.gz KUIWDWOYICFNRI-QJPTWQEYSA-N 2 2 261.341 -0.949 20 0 CBADLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](C[C@@H](O)CC2(O)CC[NH2+]CC2)C1 ZINC001246026582 825626066 /nfs/dbraw/zinc/62/60/66/825626066.db2.gz WGHIUPKLJXDBMO-RDBSUJKOSA-N 3 2 285.432 -0.089 20 0 CBADLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](C[C@@H](O)CC2(O)CC[NH2+]CC2)C1 ZINC001246026582 825626069 /nfs/dbraw/zinc/62/60/69/825626069.db2.gz WGHIUPKLJXDBMO-RDBSUJKOSA-N 3 2 285.432 -0.089 20 0 CBADLP O[C@H](CN1CCCC[C@]12CC[NH2+]C2)C[NH+]1CCOCC1 ZINC001246031152 825627845 /nfs/dbraw/zinc/62/78/45/825627845.db2.gz JGFKXIWSHIPJLB-LSDHHAIUSA-N 2 2 283.416 -0.103 20 0 CBADLP [NH3+][C@H]1CN(C[C@H](O)C[NH+]2CCOCC2)CC(F)(F)C1 ZINC001246028375 825628066 /nfs/dbraw/zinc/62/80/66/825628066.db2.gz JWZVVHLZHSUOOT-GHMZBOCLSA-N 2 2 279.331 -0.652 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](N[C@]2(C(F)(F)F)CC[NH2+]C2)C[NH2+]1 ZINC001246079764 825633498 /nfs/dbraw/zinc/63/34/98/825633498.db2.gz FDWKTNOFWGYFCM-KHQFGBGNSA-N 2 2 281.278 -0.226 20 0 CBADLP CS(=O)(=O)N1CCC([NH2+][C@H]2CC[NH2+]C[C@@H]2F)CC1 ZINC001246086474 825635036 /nfs/dbraw/zinc/63/50/36/825635036.db2.gz LOFGMCBHFJPPNX-QWRGUYRKSA-N 2 2 279.381 -0.300 20 0 CBADLP COC(=O)[C@@H]1C[C@@H]([NH2+][C@@H]2C[NH2+]CC[C@H]2C)CCN1 ZINC001246103677 825636407 /nfs/dbraw/zinc/63/64/07/825636407.db2.gz YBBNNGKFUVYWIQ-NOOOWODRSA-N 2 2 255.362 -0.132 20 0 CBADLP CC[C@@]1(C(=O)OC)C[C@@H](N[C@H]2CC[NH2+]C[C@@H]2F)C[NH2+]1 ZINC001246112760 825636790 /nfs/dbraw/zinc/63/67/90/825636790.db2.gz ROFLXSMPTHRFQX-BLFANLJRSA-N 2 2 273.352 -0.040 20 0 CBADLP C[C@@H](CC(=O)N1CCOCC1)[NH2+][C@H]1C[NH2+]CC12CC2 ZINC001246127986 825637318 /nfs/dbraw/zinc/63/73/18/825637318.db2.gz DIWPNYJRSXPHRM-RYUDHWBXSA-N 2 2 267.373 -0.035 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](NC[C@]2(F)CCCC[NH2+]C2)C[NH2+]1 ZINC001246116225 825637331 /nfs/dbraw/zinc/63/73/31/825637331.db2.gz WCFVILCLEJXUJQ-MDZLAQPJSA-N 2 2 273.352 -0.039 20 0 CBADLP CCOC(=O)C[C@@]1([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CC[NH2+]C1 ZINC001246133176 825638890 /nfs/dbraw/zinc/63/88/90/825638890.db2.gz UHHZKRVKHPBVEM-JSGCOSHPSA-N 3 2 296.415 -0.645 20 0 CBADLP C1[NH2+]CC12C[C@@H]([NH2+]C1C[C@@H]3COC[C@H](C1)[NH2+]3)CCN2 ZINC001246133410 825638954 /nfs/dbraw/zinc/63/89/54/825638954.db2.gz JCKWTFTYZNLKSG-WODVXLOZSA-N 3 2 266.389 -0.811 20 0 CBADLP C([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001246148479 825641585 /nfs/dbraw/zinc/64/15/85/825641585.db2.gz SOXSEEMVWFKYBM-UONOGXRCSA-N 4 2 293.459 -0.456 20 0 CBADLP C([NH2+][C@H]1CCOC2(C[NH2+]C2)C1)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001246150571 825642221 /nfs/dbraw/zinc/64/22/21/825642221.db2.gz WLPTWXGIVWKKNV-UONOGXRCSA-N 4 2 294.443 -0.029 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](NC[C@]2(F)CCC[NH2+]C2)C[NH2+]1 ZINC001246178235 825645475 /nfs/dbraw/zinc/64/54/75/825645475.db2.gz NSVBPXSUKKHUET-SCVCMEIPSA-N 2 2 259.325 -0.429 20 0 CBADLP F[C@@]1(C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CCC[NH2+]C1 ZINC001246180151 825645520 /nfs/dbraw/zinc/64/55/20/825645520.db2.gz PZQIJEBNDSWYIC-RYUDHWBXSA-N 3 2 256.369 -0.238 20 0 CBADLP COC(=O)[C@@H]1C[C@H](n2c(=N)sc3c2CC[C@H]([NH3+])C3)C[NH2+]1 ZINC001246192360 825648514 /nfs/dbraw/zinc/64/85/14/825648514.db2.gz BXAVGSCCMYARNM-CIUDSAMLSA-N 2 2 296.396 -0.079 20 0 CBADLP C[C@@H]1CC[C@@H]([NH2+]CCOCCOCCOCCO)C[NH2+]1 ZINC001246203375 825649476 /nfs/dbraw/zinc/64/94/76/825649476.db2.gz VDWNKPFAJBZCKV-ZIAGYGMSSA-N 2 2 290.404 -0.241 20 0 CBADLP C[C@@H]1CC[C@H]([NH2+]CCOCCOCCOCCO)C[NH2+]1 ZINC001246203373 825649533 /nfs/dbraw/zinc/64/95/33/825649533.db2.gz VDWNKPFAJBZCKV-KGLIPLIRSA-N 2 2 290.404 -0.241 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](n2ccc(C[NH3+])cc2=N)C[NH2+]1 ZINC001246200011 825649879 /nfs/dbraw/zinc/64/98/79/825649879.db2.gz MHZVNKIXJXEFSA-ZJUUUORDSA-N 2 2 250.302 -0.498 20 0 CBADLP CS(=O)(=O)N1CC([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246213477 825651931 /nfs/dbraw/zinc/65/19/31/825651931.db2.gz BMFUADFAJPJCCE-ULKQDVFKSA-N 2 2 259.375 -0.497 20 0 CBADLP COC(=O)[C@@H](CCCC[NH3+])[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246239833 825655062 /nfs/dbraw/zinc/65/50/62/825655062.db2.gz KIXVWGXBWGQXOP-NWDGAFQWSA-N 3 2 284.404 -0.659 20 0 CBADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246251870 825656523 /nfs/dbraw/zinc/65/65/23/825656523.db2.gz UIOJKBRVYUTPPF-GHMZBOCLSA-N 3 2 265.361 -0.988 20 0 CBADLP CC[C@]1(C(=O)OC)C[C@H](N[C@@H]2C[NH2+]CCC2=O)C[NH2+]1 ZINC001246285931 825659537 /nfs/dbraw/zinc/65/95/37/825659537.db2.gz AGEOLHWECWANJN-OPQQBVKSSA-N 2 2 269.345 -0.809 20 0 CBADLP CCOC(=O)C1=C(N[C@@H]2C[NH2+][C@H](C(=O)OC)C2)CC[NH2+]C1 ZINC001246286306 825660781 /nfs/dbraw/zinc/66/07/81/825660781.db2.gz WSGSKCZLGJHNRX-CABZTGNLSA-N 2 2 297.355 -0.710 20 0 CBADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2C[NH2+]C[C@H]2CO)CO1 ZINC001246303413 825661704 /nfs/dbraw/zinc/66/17/04/825661704.db2.gz FORFXFIYLKQDCD-BJDJZHNGSA-N 2 2 272.345 -0.733 20 0 CBADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2C[NH2+]C[C@H]2CO)CO1 ZINC001246303422 825661833 /nfs/dbraw/zinc/66/18/33/825661833.db2.gz FORFXFIYLKQDCD-YFKTTZPYSA-N 2 2 272.345 -0.733 20 0 CBADLP OC[C@H]1C[NH2+]C[C@@H]1[NH2+]C1CCN(c2ncccn2)CC1 ZINC001246301240 825662537 /nfs/dbraw/zinc/66/25/37/825662537.db2.gz WYFZNKYYEKEXMA-YPMHNXCESA-N 2 2 277.372 -0.385 20 0 CBADLP CC(C)(C)OC(=O)[C@@H]1C[C@H](N[C@H]2C[NH2+]C[C@@H]2CO)C[NH2+]1 ZINC001246306021 825663447 /nfs/dbraw/zinc/66/34/47/825663447.db2.gz KGXBWZQKXRDYMF-RHYQMDGZSA-N 2 2 285.388 -0.772 20 0 CBADLP CC(C)(C)OC(=O)[C@@H]1C[C@H](N[C@@H]2C[NH2+]C[C@H]2CO)C[NH2+]1 ZINC001246305994 825663771 /nfs/dbraw/zinc/66/37/71/825663771.db2.gz KGXBWZQKXRDYMF-FIQHERPVSA-N 2 2 285.388 -0.772 20 0 CBADLP COC(=O)[C@@H]1CC[C@H](N[C@@]2(C[NH3+])C[NH+]3CCC2CC3)CN1 ZINC001246324783 825664553 /nfs/dbraw/zinc/66/45/53/825664553.db2.gz HHEWZKPGYAOIMO-YDHLFZDLSA-N 2 2 296.415 -0.707 20 0 CBADLP COC(=O)[C@@H]1C[C@H](Nc2nccnc2C[NH3+])C[NH2+]1 ZINC001246333426 825665660 /nfs/dbraw/zinc/66/56/60/825665660.db2.gz QFCSMOKIDVYLSN-YUMQZZPRSA-N 2 2 251.290 -0.749 20 0 CBADLP O=C1C=CC(=O)N1CCOCC[NH2+][C@H]1CCC[NH2+]C1 ZINC001246349268 825667623 /nfs/dbraw/zinc/66/76/23/825667623.db2.gz BLQKDAZDGMLTMJ-NSHDSACASA-N 2 2 267.329 -0.730 20 0 CBADLP C1[NH2+]CC12C[C@@H]([NH2+][C@H]1C[C@@H]3COC[C@H](C1)[NH2+]3)CCN2 ZINC001246389034 825670372 /nfs/dbraw/zinc/67/03/72/825670372.db2.gz JCKWTFTYZNLKSG-RVMXOQNASA-N 3 2 266.389 -0.811 20 0 CBADLP COC(=O)[C@H](CCC[NH3+])[NH2+][C@@H]1CSC2(C[NH2+]C2)C1 ZINC001246399940 825670828 /nfs/dbraw/zinc/67/08/28/825670828.db2.gz BYRSAYOAMQPACQ-UWVGGRQHSA-N 3 2 273.402 -0.296 20 0 CBADLP CC(C)[C@H](NC(=O)[C@H](C)[NH2+][C@H]1CC[NH2+][C@H](C)C1)C(N)=O ZINC001246484008 825675742 /nfs/dbraw/zinc/67/57/42/825675742.db2.gz WTUQEWJYQIFFDS-RHYQMDGZSA-N 2 2 284.404 -0.269 20 0 CBADLP C[C@H](NC(=O)[C@H](C)[NH2+][C@@H]1CC[NH2+][C@H](C)C1)C(N)=O ZINC001246486110 825676754 /nfs/dbraw/zinc/67/67/54/825676754.db2.gz ITWOIPPXHDKXSU-XFWSIPNHSA-N 2 2 256.350 -0.905 20 0 CBADLP COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2C[NH2+]C[C@H]3C[C@H]32)CN1 ZINC001246505760 825679103 /nfs/dbraw/zinc/67/91/03/825679103.db2.gz WSWVKNCYHLGYSW-CSYMLDBXSA-N 2 2 253.346 -0.523 20 0 CBADLP C[C@H]1C[C@@H]([N@H+](C)CC(=O)N2CCOCC2)CC[NH2+]1 ZINC001246524308 825679772 /nfs/dbraw/zinc/67/97/72/825679772.db2.gz HQRYMBPIXHDMNF-RYUDHWBXSA-N 2 2 255.362 -0.083 20 0 CBADLP C[C@H]1C[C@@H]([N@@H+](C)CC(=O)N2CCOCC2)CC[NH2+]1 ZINC001246524308 825679778 /nfs/dbraw/zinc/67/97/78/825679778.db2.gz HQRYMBPIXHDMNF-RYUDHWBXSA-N 2 2 255.362 -0.083 20 0 CBADLP OC[C@@H]1CC(F)(F)C[N@@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246523468 825679891 /nfs/dbraw/zinc/67/98/91/825679891.db2.gz BPGWLRKQXGQQLJ-UWVGGRQHSA-N 2 2 261.316 -0.218 20 0 CBADLP OC[C@@H]1CC(F)(F)C[N@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246523468 825679896 /nfs/dbraw/zinc/67/98/96/825679896.db2.gz BPGWLRKQXGQQLJ-UWVGGRQHSA-N 2 2 261.316 -0.218 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](N2CC[NH+]([C@H]3CCOC3)CC2)C[NH2+]1 ZINC001246536266 825681875 /nfs/dbraw/zinc/68/18/75/825681875.db2.gz DRMXHDZFEJXRSH-XQQFMLRXSA-N 2 2 283.372 -0.704 20 0 CBADLP COC(=O)[C@@H]1C[C@H](N2CC[NH+](C3CC3)CC2)C[NH2+]1 ZINC001246535452 825681906 /nfs/dbraw/zinc/68/19/06/825681906.db2.gz LXBGYAYGSWWETL-RYUDHWBXSA-N 2 2 253.346 -0.330 20 0 CBADLP [NH3+][C@@H]1C[N@@H+]([C@@H]2CCC[C@H](n3ncnn3)C2)C[C@H]1O ZINC001246558869 825686420 /nfs/dbraw/zinc/68/64/20/825686420.db2.gz RMXAESHKHOQMGA-LMLFDSFASA-N 2 2 252.322 -0.839 20 0 CBADLP [NH3+][C@@H]1C[N@H+]([C@@H]2CCC[C@H](n3ncnn3)C2)C[C@H]1O ZINC001246558869 825686422 /nfs/dbraw/zinc/68/64/22/825686422.db2.gz RMXAESHKHOQMGA-LMLFDSFASA-N 2 2 252.322 -0.839 20 0 CBADLP COC(=O)[C@@H]1C[C@H]([N@@H+]2CCC[C@H](C[NH3+])[C@H]2C)CN1 ZINC001246567335 825687893 /nfs/dbraw/zinc/68/78/93/825687893.db2.gz XISZLVPKJCOVPS-WYUUTHIRSA-N 2 2 255.362 -0.051 20 0 CBADLP COC(=O)[C@@H]1C[C@H]([N@H+]2CCC[C@H](C[NH3+])[C@H]2C)CN1 ZINC001246567335 825687898 /nfs/dbraw/zinc/68/78/98/825687898.db2.gz XISZLVPKJCOVPS-WYUUTHIRSA-N 2 2 255.362 -0.051 20 0 CBADLP COCCC[NH+]1CCC([N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)CC1 ZINC001246577661 825689398 /nfs/dbraw/zinc/68/93/98/825689398.db2.gz CHIKDQNQYKRIPC-GXTWGEPZSA-N 3 2 271.405 -0.261 20 0 CBADLP COCCC[NH+]1CCC([N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)CC1 ZINC001246577661 825689401 /nfs/dbraw/zinc/68/94/01/825689401.db2.gz CHIKDQNQYKRIPC-GXTWGEPZSA-N 3 2 271.405 -0.261 20 0 CBADLP COC(=O)[C@H]1C[C@@H](N2CCC(F)(F)[C@@H]([NH3+])C2)C[NH2+]1 ZINC001246579717 825690687 /nfs/dbraw/zinc/69/06/87/825690687.db2.gz DCKPQZJAYNWCLF-HLTSFMKQSA-N 2 2 263.288 -0.442 20 0 CBADLP COC(=O)[C@H]1C[C@H](N2CCC(F)(F)[C@@H]([NH3+])C2)C[NH2+]1 ZINC001246579730 825691179 /nfs/dbraw/zinc/69/11/79/825691179.db2.gz DCKPQZJAYNWCLF-YIZRAAEISA-N 2 2 263.288 -0.442 20 0 CBADLP COC(=O)[C@@H]1C[C@H](F)C[N@@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246605899 825693955 /nfs/dbraw/zinc/69/39/55/825693955.db2.gz RTJYFYZTHQWZIP-AXFHLTTASA-N 2 2 271.336 -0.334 20 0 CBADLP COC(=O)[C@@H]1C[C@H](F)C[N@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246605899 825693958 /nfs/dbraw/zinc/69/39/58/825693958.db2.gz RTJYFYZTHQWZIP-AXFHLTTASA-N 2 2 271.336 -0.334 20 0 CBADLP C1[NH2+]CC12C[C@@H]([N@@H+]1CC[C@@H]3[NH2+]CCO[C@H]3C1)CCN2 ZINC001246635472 825699469 /nfs/dbraw/zinc/69/94/69/825699469.db2.gz VAEXEDVVZCHINR-AVGNSLFASA-N 3 2 266.389 -0.857 20 0 CBADLP C1[NH2+]CC12C[C@@H]([N@H+]1CC[C@@H]3[NH2+]CCO[C@H]3C1)CCN2 ZINC001246635472 825699472 /nfs/dbraw/zinc/69/94/72/825699472.db2.gz VAEXEDVVZCHINR-AVGNSLFASA-N 3 2 266.389 -0.857 20 0 CBADLP COC(=O)[C@@H]1CC[C@H]([N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)CN1 ZINC001246661691 825703994 /nfs/dbraw/zinc/70/39/94/825703994.db2.gz RTVGDQSEOGSXDP-RVMXOQNASA-N 2 2 267.373 -0.036 20 0 CBADLP COC(=O)[C@@H]1CC[C@H]([N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)CN1 ZINC001246661691 825703998 /nfs/dbraw/zinc/70/39/98/825703998.db2.gz RTVGDQSEOGSXDP-RVMXOQNASA-N 2 2 267.373 -0.036 20 0 CBADLP COC(=O)[C@@H]1C[C@H]([N@@H+]2CC[C@H]3C[C@@]3([NH3+])C2)CCN1 ZINC001246653605 825704273 /nfs/dbraw/zinc/70/42/73/825704273.db2.gz IJEYDKGHBAULCT-SRRSOLGSSA-N 2 2 253.346 -0.297 20 0 CBADLP COC(=O)[C@@H]1C[C@H]([N@H+]2CC[C@H]3C[C@@]3([NH3+])C2)CCN1 ZINC001246653605 825704278 /nfs/dbraw/zinc/70/42/78/825704278.db2.gz IJEYDKGHBAULCT-SRRSOLGSSA-N 2 2 253.346 -0.297 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](N2C[C@H](C)[N@H+](C)C[C@H]2C)C[NH2+]1 ZINC001246691809 825706827 /nfs/dbraw/zinc/70/68/27/825706827.db2.gz RLOOLVPDQFDETM-QCNOEVLYSA-N 2 2 255.362 -0.086 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](N2C[C@H](C)[N@@H+](C)C[C@H]2C)C[NH2+]1 ZINC001246691809 825706830 /nfs/dbraw/zinc/70/68/30/825706830.db2.gz RLOOLVPDQFDETM-QCNOEVLYSA-N 2 2 255.362 -0.086 20 0 CBADLP O=C(C[NH+]1CCN([C@H]2CCC[NH2+]C2)CC1)N1CCCC1 ZINC001246787623 825710787 /nfs/dbraw/zinc/71/07/87/825710787.db2.gz FFJUVCNZIZGDHD-AWEZNQCLSA-N 2 2 280.416 -0.022 20 0 CBADLP C([C@@H]1CCCO1)[NH+]1CCN([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246778635 825710995 /nfs/dbraw/zinc/71/09/95/825710995.db2.gz WPTVDTJGYDYYJJ-CABCVRRESA-N 2 2 294.443 -0.123 20 0 CBADLP C[NH2+]C1CC[NH+]([C@@H]2CC[C@@H](C(=O)OC)NC2)CC1 ZINC001246804869 825712790 /nfs/dbraw/zinc/71/27/90/825712790.db2.gz HYHTXGOWIPUEDE-NEPJUHHUSA-N 2 2 255.362 -0.036 20 0 CBADLP COC(=O)CN1CC[NH+]([C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC001246802159 825713393 /nfs/dbraw/zinc/71/33/93/825713393.db2.gz IRXOGLLGWHVLKC-NWDGAFQWSA-N 2 2 255.362 -0.083 20 0 CBADLP COC(=O)[C@@H]1C[C@@H]([N@@H+](C)CCN2CC[NH+](C)CC2)CN1 ZINC001246847754 825720983 /nfs/dbraw/zinc/72/09/83/825720983.db2.gz MFJNKSANOIIXJT-OLZOCXBDSA-N 2 2 284.404 -0.931 20 0 CBADLP C1[NH2+]CC12C[C@@H]([N@H+](C1COC1)C1CC[NH2+]CC1)CCN2 ZINC001246842114 825720722 /nfs/dbraw/zinc/72/07/22/825720722.db2.gz AWECKNYEHUHYSD-ZDUSSCGKSA-N 3 2 280.416 -0.467 20 0 CBADLP C1[NH2+]CC12C[C@@H]([N@@H+](C1COC1)C1CC[NH2+]CC1)CCN2 ZINC001246842114 825720727 /nfs/dbraw/zinc/72/07/27/825720727.db2.gz AWECKNYEHUHYSD-ZDUSSCGKSA-N 3 2 280.416 -0.467 20 0 CBADLP COC(=O)[C@@H]1C[C@@H]([N@H+](C)CCN2CC[NH+](C)CC2)CN1 ZINC001246847754 825720979 /nfs/dbraw/zinc/72/09/79/825720979.db2.gz MFJNKSANOIIXJT-OLZOCXBDSA-N 2 2 284.404 -0.931 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](N(c2ncccn2)C2C[NH2+]C2)C[NH2+]1 ZINC001246875986 825726844 /nfs/dbraw/zinc/72/68/44/825726844.db2.gz KZJHWPIGLPHOJT-KOLCDFICSA-N 2 2 277.328 -0.842 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](N2CCC3(C[NH+](C)C3)C2)C[NH2+]1 ZINC001246901162 825729162 /nfs/dbraw/zinc/72/91/62/825729162.db2.gz ZOKBKAHUHQYFHT-MNOVXSKESA-N 2 2 253.346 -0.473 20 0 CBADLP CCOC(=O)CN1CCC([N@@H+]2C[C@@H]3C[NH2+]C[C@H]32)CC1 ZINC001246916477 825731364 /nfs/dbraw/zinc/73/13/64/825731364.db2.gz HTLDZHFJYWQXPJ-WCQYABFASA-N 2 2 267.373 -0.083 20 0 CBADLP CCOC(=O)CN1CCC([N@H+]2C[C@@H]3C[NH2+]C[C@H]32)CC1 ZINC001246916477 825731371 /nfs/dbraw/zinc/73/13/71/825731371.db2.gz HTLDZHFJYWQXPJ-WCQYABFASA-N 2 2 267.373 -0.083 20 0 CBADLP CCOC(=O)C[NH+]1CCC(N2C[C@@H]3C[NH2+]C[C@H]32)CC1 ZINC001246916477 825731375 /nfs/dbraw/zinc/73/13/75/825731375.db2.gz HTLDZHFJYWQXPJ-WCQYABFASA-N 2 2 267.373 -0.083 20 0 CBADLP CC[N@H+](C[C@@H]1CC[NH2+]C1)[C@@H]1CN[C@H](C(=O)OC)C1 ZINC001246935360 825733963 /nfs/dbraw/zinc/73/39/63/825733963.db2.gz HHQKXDPLIPSQGY-WOPDTQHZSA-N 2 2 255.362 -0.179 20 0 CBADLP CC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@@H]1CN[C@H](C(=O)OC)C1 ZINC001246935360 825733969 /nfs/dbraw/zinc/73/39/69/825733969.db2.gz HHQKXDPLIPSQGY-WOPDTQHZSA-N 2 2 255.362 -0.179 20 0 CBADLP C[NH2+]C1CCC([N@H+]2C[C@@H](C(=O)OC)[C@H]([NH3+])C2)CC1 ZINC001246935881 825734541 /nfs/dbraw/zinc/73/45/41/825734541.db2.gz ZHMQFUIRSRPODF-KIDURHIOSA-N 3 2 255.362 -0.051 20 0 CBADLP C[NH2+]C1CCC([N@@H+]2C[C@@H](C(=O)OC)[C@H]([NH3+])C2)CC1 ZINC001246935881 825734543 /nfs/dbraw/zinc/73/45/43/825734543.db2.gz ZHMQFUIRSRPODF-KIDURHIOSA-N 3 2 255.362 -0.051 20 0 CBADLP COC(=O)[C@@H]1C[N@@H+](C2C[C@@H]3C=C[C@H](C2)O3)C[C@@H]1[NH3+] ZINC001246931837 825734729 /nfs/dbraw/zinc/73/47/29/825734729.db2.gz FJTUHQOBJTVOBB-FGLXMSFASA-N 2 2 252.314 -0.096 20 0 CBADLP COC(=O)[C@@H]1C[N@H+](C2C[C@@H]3C=C[C@H](C2)O3)C[C@@H]1[NH3+] ZINC001246931837 825734732 /nfs/dbraw/zinc/73/47/32/825734732.db2.gz FJTUHQOBJTVOBB-FGLXMSFASA-N 2 2 252.314 -0.096 20 0 CBADLP COC(=O)[C@H]1CN(C2C[C@@H]3COC[C@H](C2)[N@@H+]3C)C[C@@H]1[NH3+] ZINC001246937316 825734834 /nfs/dbraw/zinc/73/48/34/825734834.db2.gz NCYLNCRFJDSMCF-DMGDTADUSA-N 2 2 283.372 -0.720 20 0 CBADLP COC(=O)[C@H]1CN(C2C[C@@H]3COC[C@H](C2)[N@H+]3C)C[C@@H]1[NH3+] ZINC001246937316 825734840 /nfs/dbraw/zinc/73/48/40/825734840.db2.gz NCYLNCRFJDSMCF-DMGDTADUSA-N 2 2 283.372 -0.720 20 0 CBADLP C1[NH2+]CC12C[C@H]([N@@H+]1CC[C@@]3(C1)C[NH2+]CCO3)CCN2 ZINC001246990648 825739447 /nfs/dbraw/zinc/73/94/47/825739447.db2.gz XAYUKFGOTBRJQB-OCCSQVGLSA-N 3 2 266.389 -0.855 20 0 CBADLP C1[NH2+]CC12C[C@H]([N@H+]1CC[C@@]3(C1)C[NH2+]CCO3)CCN2 ZINC001246990648 825739452 /nfs/dbraw/zinc/73/94/52/825739452.db2.gz XAYUKFGOTBRJQB-OCCSQVGLSA-N 3 2 266.389 -0.855 20 0 CBADLP O=C(CC[NH2+]C[C@H](O)C(F)(F)F)NCCc1c[nH+]c[nH]1 ZINC001250995708 825755208 /nfs/dbraw/zinc/75/52/08/825755208.db2.gz XQCPXTGZYRTXQC-VIFPVBQESA-N 2 2 294.277 -0.029 20 0 CBADLP C[N@H+](C1CN(C[C@H](O)C[NH+]2CCOCC2)C1)[C@@H]1CCOC1 ZINC001251018435 825763124 /nfs/dbraw/zinc/76/31/24/825763124.db2.gz ILVHNLACHKDFQQ-UKRRQHHQSA-N 2 2 299.415 -0.916 20 0 CBADLP C[N@@H+](C1CN(C[C@H](O)C[NH+]2CCOCC2)C1)[C@@H]1CCOC1 ZINC001251018435 825763127 /nfs/dbraw/zinc/76/31/27/825763127.db2.gz ILVHNLACHKDFQQ-UKRRQHHQSA-N 2 2 299.415 -0.916 20 0 CBADLP C[N@H+](C1CC1)[C@H]1CCN(C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC001251024924 825766834 /nfs/dbraw/zinc/76/68/34/825766834.db2.gz SHAYCABMCWYMAC-GJZGRUSLSA-N 2 2 283.416 -0.152 20 0 CBADLP C[N@@H+](C1CC1)[C@H]1CCN(C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC001251024924 825766839 /nfs/dbraw/zinc/76/68/39/825766839.db2.gz SHAYCABMCWYMAC-GJZGRUSLSA-N 2 2 283.416 -0.152 20 0 CBADLP COC(=O)CC[N@H+](CCC[NH+](C)C)C[C@@H](O)C(=O)OC ZINC001252422049 825849652 /nfs/dbraw/zinc/84/96/52/825849652.db2.gz PIYBLMGBKAANML-LLVKDONJSA-N 2 2 290.360 -0.663 20 0 CBADLP COC(=O)CC[N@@H+](CCC[NH+](C)C)C[C@@H](O)C(=O)OC ZINC001252422049 825849656 /nfs/dbraw/zinc/84/96/56/825849656.db2.gz PIYBLMGBKAANML-LLVKDONJSA-N 2 2 290.360 -0.663 20 0 CBADLP CC(C)OC[C@@H](O)C[NH2+]CCC(=O)NCCc1c[nH]c[nH+]1 ZINC001252694396 825885001 /nfs/dbraw/zinc/88/50/01/825885001.db2.gz BSUQLWHIHGIGFQ-ZDUSSCGKSA-N 2 2 298.387 -0.166 20 0 CBADLP CC(C)OC[C@@H](O)C[NH2+]CCC(=O)NCCc1c[nH+]c[nH]1 ZINC001252694396 825885004 /nfs/dbraw/zinc/88/50/04/825885004.db2.gz BSUQLWHIHGIGFQ-ZDUSSCGKSA-N 2 2 298.387 -0.166 20 0 CBADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1CC[C@H](OCC(=O)OC)C1 ZINC001253194728 825904667 /nfs/dbraw/zinc/90/46/67/825904667.db2.gz KCMDBUAKPHFAJY-STQMWFEESA-N 2 2 288.388 -0.047 20 0 CBADLP CC[NH+](CC)C[C@H](O)C[N@H+]1CC[C@H](OCC(=O)OC)C1 ZINC001253194728 825904670 /nfs/dbraw/zinc/90/46/70/825904670.db2.gz KCMDBUAKPHFAJY-STQMWFEESA-N 2 2 288.388 -0.047 20 0 CBADLP CC[NH+](CC)C[C@H](O)C[NH2+]CCN1CCC[N@H+](C)CC1 ZINC001253207382 825905180 /nfs/dbraw/zinc/90/51/80/825905180.db2.gz GAKDUKJAUWGMLB-OAHLLOKOSA-N 3 2 286.464 -0.084 20 0 CBADLP CC[NH+](CC)C[C@H](O)C[NH2+]CCN1CCC[N@@H+](C)CC1 ZINC001253207382 825905183 /nfs/dbraw/zinc/90/51/83/825905183.db2.gz GAKDUKJAUWGMLB-OAHLLOKOSA-N 3 2 286.464 -0.084 20 0 CBADLP CC[NH+](CC)C[C@H](O)CN[C@H](Cc1c[nH]c[nH+]1)C(=O)OC ZINC001253217206 825907311 /nfs/dbraw/zinc/90/73/11/825907311.db2.gz VHAIWNVCSGKVPD-CHWSQXEVSA-N 2 2 298.387 -0.214 20 0 CBADLP CC[NH+](CC)C[C@H](O)CN[C@H](Cc1c[nH+]c[nH]1)C(=O)OC ZINC001253217206 825907315 /nfs/dbraw/zinc/90/73/15/825907315.db2.gz VHAIWNVCSGKVPD-CHWSQXEVSA-N 2 2 298.387 -0.214 20 0 CBADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CC[C@@](C)(CO)[C@@H](O)C1 ZINC001253390942 825911935 /nfs/dbraw/zinc/91/19/35/825911935.db2.gz ZOAORHQKEMQOBU-DYEKYZERSA-N 2 2 274.405 -0.199 20 0 CBADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CC[C@@](C)(CO)[C@@H](O)C1 ZINC001253390942 825911930 /nfs/dbraw/zinc/91/19/30/825911930.db2.gz ZOAORHQKEMQOBU-DYEKYZERSA-N 2 2 274.405 -0.199 20 0 CBADLP CC(=O)N[C@@H]1CC[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)C1 ZINC001253395179 825912278 /nfs/dbraw/zinc/91/22/78/825912278.db2.gz APPOQEDTLCUULZ-VXGBXAGGSA-N 2 2 257.378 -0.054 20 0 CBADLP CC(=O)N[C@@H]1CC[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)C1 ZINC001253395179 825912283 /nfs/dbraw/zinc/91/22/83/825912283.db2.gz APPOQEDTLCUULZ-VXGBXAGGSA-N 2 2 257.378 -0.054 20 0 CBADLP C[NH+]1CCN(CC[NH2+]C[C@H](O)C[NH2+]C(C)(C)C)CC1 ZINC001253405559 825913394 /nfs/dbraw/zinc/91/33/94/825913394.db2.gz GMMNCFIVPUZHTL-ZDUSSCGKSA-N 3 2 272.437 -0.428 20 0 CBADLP COC(=O)CNC(=O)[C@H](C)[NH2+]C[C@H](O)C[NH2+]C(C)(C)C ZINC001253410051 825915266 /nfs/dbraw/zinc/91/52/66/825915266.db2.gz AEDZTSQGFMWJEJ-UWVGGRQHSA-N 2 2 289.376 -0.997 20 0 CBADLP CC(C)(C)[C@@H](O)C[NH2+][C@@H](Cc1c[nH+]c[nH]1)C(N)=O ZINC001253748452 825930065 /nfs/dbraw/zinc/93/00/65/825930065.db2.gz HGHWCDMDMPBOMY-UWVGGRQHSA-N 2 2 254.334 -0.197 20 0 CBADLP CCOC(=O)C[C@H](O)C[NH2+]C1(CO)CC[NH+](C)CC1 ZINC001253814104 825934219 /nfs/dbraw/zinc/93/42/19/825934219.db2.gz MFSYCOUZWDYPCI-NSHDSACASA-N 2 2 274.361 -0.653 20 0 CBADLP OCC[NH+](CCO)CCC[NH2+][C@@H]1CC2CCN(CC2)C1 ZINC001254836539 825969644 /nfs/dbraw/zinc/96/96/44/825969644.db2.gz MNLUZOLQZHXFJF-OAHLLOKOSA-N 2 2 285.432 -0.263 20 0 CBADLP CC[NH+](CC)CC[C@@H](C)[NH2+][C@@H](C)C(=O)NCC(N)=O ZINC001255953703 825996636 /nfs/dbraw/zinc/99/66/36/825996636.db2.gz NEUOCVMWSKUGMG-MNOVXSKESA-N 2 2 272.393 -0.314 20 0 CBADLP [NH3+][C@@H]1COC[C@H]1[NH2+]C1CCN(c2ncccn2)CC1 ZINC001256049641 826001467 /nfs/dbraw/zinc/00/14/67/826001467.db2.gz QSRHWXHNCJTGHC-VXGBXAGGSA-N 2 2 263.345 -0.239 20 0 CBADLP C[NH+]1CCC([NH+]2CCC3(CC2)NC(=O)NC3=O)CC1 ZINC001256211028 826003264 /nfs/dbraw/zinc/00/32/64/826003264.db2.gz QELYJAOGBZRHGE-UHFFFAOYSA-N 2 2 266.345 -0.245 20 0 CBADLP C[C@H](CC(=O)N1CCOCC1)[NH2+]C1(CO)CC[NH+](C)CC1 ZINC001256334466 826012221 /nfs/dbraw/zinc/01/22/21/826012221.db2.gz HTVVBCHVWUFNSE-CYBMUJFWSA-N 2 2 299.415 -0.330 20 0 CBADLP CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001257192296 826038924 /nfs/dbraw/zinc/03/89/24/826038924.db2.gz BZUVPKNZZPAOFC-LBPRGKRZSA-N 2 2 282.388 -0.641 20 0 CBADLP CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001257192296 826038935 /nfs/dbraw/zinc/03/89/35/826038935.db2.gz BZUVPKNZZPAOFC-LBPRGKRZSA-N 2 2 282.388 -0.641 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)C[C@@H]1CC[NH2+]C1 ZINC001261491838 826524355 /nfs/dbraw/zinc/52/43/55/826524355.db2.gz HZSDHLHTTPDXTD-QWRGUYRKSA-N 2 2 269.345 -0.651 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001261492601 826524845 /nfs/dbraw/zinc/52/48/45/826524845.db2.gz LWMBXOWBKSTEEK-GJZGRUSLSA-N 2 2 282.432 -0.313 20 0 CBADLP [NH3+]C[C@H]([NH2+]CC(=O)N1CC[NH2+]CC1)C1CCCCC1 ZINC001261492459 826524703 /nfs/dbraw/zinc/52/47/03/826524703.db2.gz FQAMTVRQTFFJPG-ZDUSSCGKSA-N 3 2 268.405 -0.085 20 0 CBADLP NC(=O)C[N@@H+]1CCC[C@H](NC(=O)C[C@@H]2CC[NH2+]C2)C1 ZINC001261502035 826527428 /nfs/dbraw/zinc/52/74/28/826527428.db2.gz XFEDNUSUUHWAAS-QWRGUYRKSA-N 2 2 268.361 -0.948 20 0 CBADLP NC(=O)C[N@H+]1CCC[C@H](NC(=O)C[C@@H]2CC[NH2+]C2)C1 ZINC001261502035 826527430 /nfs/dbraw/zinc/52/74/30/826527430.db2.gz XFEDNUSUUHWAAS-QWRGUYRKSA-N 2 2 268.361 -0.948 20 0 CBADLP NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC001261501603 826527794 /nfs/dbraw/zinc/52/77/94/826527794.db2.gz GXVNWCYVZIFWBS-MNOVXSKESA-N 2 2 268.361 -0.806 20 0 CBADLP NC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC001261501603 826527800 /nfs/dbraw/zinc/52/78/00/826527800.db2.gz GXVNWCYVZIFWBS-MNOVXSKESA-N 2 2 268.361 -0.806 20 0 CBADLP NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CC2([NH3+])CCC2)C1 ZINC001261501685 826527936 /nfs/dbraw/zinc/52/79/36/826527936.db2.gz JXJJSMJPTULPPR-SNVBAGLBSA-N 2 2 268.361 -0.676 20 0 CBADLP NC(=O)C[N@H+]1CCC[C@@H](NC(=O)CC2([NH3+])CCC2)C1 ZINC001261501685 826527937 /nfs/dbraw/zinc/52/79/37/826527937.db2.gz JXJJSMJPTULPPR-SNVBAGLBSA-N 2 2 268.361 -0.676 20 0 CBADLP C[NH+]1CCC(CCO)(NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001261736187 826567990 /nfs/dbraw/zinc/56/79/90/826567990.db2.gz CMPMUZUXFIGNCE-UHFFFAOYSA-N 2 2 266.345 -0.085 20 0 CBADLP CN(C)c1cc(Cn2cc([C@H]([NH3+])CO)nn2)cc[nH+]1 ZINC001262026884 826624303 /nfs/dbraw/zinc/62/43/03/826624303.db2.gz JVOWDGHSKGRQHW-SNVBAGLBSA-N 2 2 262.317 -0.221 20 0 CBADLP [NH3+]Cc1ocnc1C(=O)NCC[N@@H+]1CCCOCC1 ZINC001262035855 826627495 /nfs/dbraw/zinc/62/74/95/826627495.db2.gz XNWMFSBSUQCBSB-UHFFFAOYSA-N 2 2 268.317 -0.415 20 0 CBADLP [NH3+]Cc1ocnc1C(=O)NCC[N@H+]1CCCOCC1 ZINC001262035855 826627496 /nfs/dbraw/zinc/62/74/96/826627496.db2.gz XNWMFSBSUQCBSB-UHFFFAOYSA-N 2 2 268.317 -0.415 20 0 CBADLP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCCCCn1cc[nH+]c1 ZINC001262060108 826629299 /nfs/dbraw/zinc/62/92/99/826629299.db2.gz QLRPHNUFWWZAJZ-VXGBXAGGSA-N 2 2 293.371 -0.272 20 0 CBADLP C[C@H](C(=O)NCC[N@H+](C)CCOCCO)n1cc[nH+]c1 ZINC001262192866 826656451 /nfs/dbraw/zinc/65/64/51/826656451.db2.gz SZSZHRZDDNQSID-GFCCVEGCSA-N 2 2 284.360 -0.499 20 0 CBADLP C[C@H](C(=O)NCC[N@@H+](C)CCOCCO)n1cc[nH+]c1 ZINC001262192866 826656454 /nfs/dbraw/zinc/65/64/54/826656454.db2.gz SZSZHRZDDNQSID-GFCCVEGCSA-N 2 2 284.360 -0.499 20 0 CBADLP C[C@@H](C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1)C[NH+](C)C ZINC001262565847 826709791 /nfs/dbraw/zinc/70/97/91/826709791.db2.gz XMKVXDIOBPFVHE-KBPBESRZSA-N 3 2 272.437 -0.618 20 0 CBADLP C[C@H](C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)C[NH+](C)C ZINC001262565850 826710651 /nfs/dbraw/zinc/71/06/51/826710651.db2.gz XMKVXDIOBPFVHE-ZIAGYGMSSA-N 3 2 272.437 -0.618 20 0 CBADLP [NH3+]Cc1nccnc1N1CC(C[NH+]2CCOCC2)C1 ZINC001262697606 826723778 /nfs/dbraw/zinc/72/37/78/826723778.db2.gz SJNJJDHIIVRZLH-UHFFFAOYSA-N 2 2 263.345 -0.296 20 0 CBADLP [NH3+]CC1(C(=O)NCCCn2cc[nH+]c2)CC(O)C1 ZINC001263092614 826735352 /nfs/dbraw/zinc/73/53/52/826735352.db2.gz ZERUQEAFQDYIAG-UHFFFAOYSA-N 2 2 252.318 -0.511 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001263108472 826739304 /nfs/dbraw/zinc/73/93/04/826739304.db2.gz YKBQMGFIQWUUMQ-LLVKDONJSA-N 2 2 263.345 -0.542 20 0 CBADLP [NH3+]C[C@H](O)CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001263158871 826746155 /nfs/dbraw/zinc/74/61/55/826746155.db2.gz MPSBIMKDZMGOMU-JTQLQIEISA-N 2 2 252.318 -0.802 20 0 CBADLP C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001263170058 826748024 /nfs/dbraw/zinc/74/80/24/826748024.db2.gz GGZFTQMQHAKKFH-QWRGUYRKSA-N 2 2 266.345 -0.516 20 0 CBADLP C[C@H](C(=O)N1CC[C@@H](CC[NH3+])C1)[NH+]1CCN(C)CC1 ZINC001263212734 826753619 /nfs/dbraw/zinc/75/36/19/826753619.db2.gz BAIICDMHNYDTNI-CHWSQXEVSA-N 2 2 268.405 -0.180 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)N[C@@H](CO)C[NH+](C)C ZINC001263824534 826782053 /nfs/dbraw/zinc/78/20/53/826782053.db2.gz KIZZPXMKSXAIRP-SNVBAGLBSA-N 2 2 254.334 -0.609 20 0 CBADLP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCc1c[nH+]cn1C ZINC001263858091 826786349 /nfs/dbraw/zinc/78/63/49/826786349.db2.gz VXJQUJMKHFSKJW-CMPLNLGQSA-N 2 2 263.345 -0.575 20 0 CBADLP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCc1c[nH+]cn1C ZINC001263858091 826786352 /nfs/dbraw/zinc/78/63/52/826786352.db2.gz VXJQUJMKHFSKJW-CMPLNLGQSA-N 2 2 263.345 -0.575 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC[N@@H+]1CCO ZINC001264705513 826818301 /nfs/dbraw/zinc/81/83/01/826818301.db2.gz SUHMDMHPNXNULY-PWSUYJOCSA-N 2 2 266.345 -0.086 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC[N@H+]1CCO ZINC001264705513 826818315 /nfs/dbraw/zinc/81/83/15/826818315.db2.gz SUHMDMHPNXNULY-PWSUYJOCSA-N 2 2 266.345 -0.086 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC[N@@H+]1CCO ZINC001264705513 826818326 /nfs/dbraw/zinc/81/83/26/826818326.db2.gz SUHMDMHPNXNULY-PWSUYJOCSA-N 2 2 266.345 -0.086 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC[N@H+]1CCO ZINC001264705513 826818337 /nfs/dbraw/zinc/81/83/37/826818337.db2.gz SUHMDMHPNXNULY-PWSUYJOCSA-N 2 2 266.345 -0.086 20 0 CBADLP C[N@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)[C@@H]1CCCNC1=O ZINC001265050650 826841826 /nfs/dbraw/zinc/84/18/26/826841826.db2.gz FIAQKTIVQQOJOR-LLVKDONJSA-N 2 2 293.371 -0.331 20 0 CBADLP C[N@@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)[C@@H]1CCCNC1=O ZINC001265050650 826841840 /nfs/dbraw/zinc/84/18/40/826841840.db2.gz FIAQKTIVQQOJOR-LLVKDONJSA-N 2 2 293.371 -0.331 20 0 CBADLP C[C@H](C(N)=O)[N@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001266165971 826957044 /nfs/dbraw/zinc/95/70/44/826957044.db2.gz MEUJMMICODBJBC-SNVBAGLBSA-N 2 2 293.371 -0.203 20 0 CBADLP C[C@H](C(N)=O)[N@@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001266165971 826957050 /nfs/dbraw/zinc/95/70/50/826957050.db2.gz MEUJMMICODBJBC-SNVBAGLBSA-N 2 2 293.371 -0.203 20 0 CBADLP CC[N@H+](CCNC(=O)Cc1[nH]cc[nH+]1)C[C@H](C)O ZINC001266425650 826998546 /nfs/dbraw/zinc/99/85/46/826998546.db2.gz XVABIKFFPRSECM-JTQLQIEISA-N 2 2 254.334 -0.229 20 0 CBADLP CC[N@@H+](CCNC(=O)Cc1[nH]cc[nH+]1)C[C@H](C)O ZINC001266425650 826998549 /nfs/dbraw/zinc/99/85/49/826998549.db2.gz XVABIKFFPRSECM-JTQLQIEISA-N 2 2 254.334 -0.229 20 0 CBADLP C[C@H](O)C[N@@H+]1CCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001266498514 827010631 /nfs/dbraw/zinc/01/06/31/827010631.db2.gz XIYLQQAJVNRHOZ-NWDGAFQWSA-N 2 2 266.345 -0.156 20 0 CBADLP C[C@H](O)C[N@H+]1CCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001266498514 827010642 /nfs/dbraw/zinc/01/06/42/827010642.db2.gz XIYLQQAJVNRHOZ-NWDGAFQWSA-N 2 2 266.345 -0.156 20 0 CBADLP C[C@H](O)C[NH2+]CCN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001266749414 827063285 /nfs/dbraw/zinc/06/32/85/827063285.db2.gz SNWNEAAJJDILPY-RYUDHWBXSA-N 2 2 280.372 -0.126 20 0 CBADLP CC[C@@H](C(=O)N(C)CC[NH2+]Cc1cnon1)[NH+](C)C ZINC001266835972 827072580 /nfs/dbraw/zinc/07/25/80/827072580.db2.gz BZKGWGXDSHBYNN-NSHDSACASA-N 2 2 269.349 -0.042 20 0 CBADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CC[NH2+]CC(N)=O ZINC001266870344 827077060 /nfs/dbraw/zinc/07/70/60/827077060.db2.gz LOUFYPMAXFOJMC-VIFPVBQESA-N 2 2 267.333 -0.878 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)[NH2+][C@@H](C)C(N)=O ZINC001266990688 827103380 /nfs/dbraw/zinc/10/33/80/827103380.db2.gz UQWAFJVJDCFSMM-APPZFPTMSA-N 2 2 267.333 -0.771 20 0 CBADLP C[C@H](O)C[N@H+](CCNC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001267335496 827150762 /nfs/dbraw/zinc/15/07/62/827150762.db2.gz XGPJKJRFLWKXOU-JTQLQIEISA-N 2 2 266.345 -0.086 20 0 CBADLP C[C@H](O)C[N@@H+](CCNC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001267335496 827150764 /nfs/dbraw/zinc/15/07/64/827150764.db2.gz XGPJKJRFLWKXOU-JTQLQIEISA-N 2 2 266.345 -0.086 20 0 CBADLP CC[C@H](C(=O)N(C)CC[NH2+]Cc1nnnn1C)[NH+](C)C ZINC001267457342 827174605 /nfs/dbraw/zinc/17/46/05/827174605.db2.gz XCKNKNUPTQAJLA-SNVBAGLBSA-N 2 2 283.380 -0.902 20 0 CBADLP CCOCC[NH+]1CC(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001267701661 827202910 /nfs/dbraw/zinc/20/29/10/827202910.db2.gz XSHAHJJFQXODKT-UHFFFAOYSA-N 2 2 266.345 -0.032 20 0 CBADLP C[C@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)C[NH2+]CCO ZINC001267989631 827238647 /nfs/dbraw/zinc/23/86/47/827238647.db2.gz DTPFIACJUJBJFY-RYUDHWBXSA-N 2 2 280.372 -0.220 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)C[NH2+]CCO ZINC001267989632 827239100 /nfs/dbraw/zinc/23/91/00/827239100.db2.gz DTPFIACJUJBJFY-VXGBXAGGSA-N 2 2 280.372 -0.220 20 0 CBADLP COCC[N@H+](C)CCN(C)C(=O)Cn1cc[nH+]c1 ZINC001268259076 827273523 /nfs/dbraw/zinc/27/35/23/827273523.db2.gz JOMRDBWQSZRUIZ-UHFFFAOYSA-N 2 2 254.334 -0.080 20 0 CBADLP COCC[N@@H+](C)CCN(C)C(=O)Cn1cc[nH+]c1 ZINC001268259076 827273531 /nfs/dbraw/zinc/27/35/31/827273531.db2.gz JOMRDBWQSZRUIZ-UHFFFAOYSA-N 2 2 254.334 -0.080 20 0 CBADLP CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001268313444 827293822 /nfs/dbraw/zinc/29/38/22/827293822.db2.gz DONQHHKGUOJKFC-PWSUYJOCSA-N 2 2 266.345 -0.468 20 0 CBADLP C[C@@H](CC[NH2+][C@@H](C)C(N)=O)NC(=O)Cc1[nH]cc[nH+]1 ZINC001268411480 827324892 /nfs/dbraw/zinc/32/48/92/827324892.db2.gz NZGWQEYECMEIMW-IUCAKERBSA-N 2 2 267.333 -0.690 20 0 CBADLP C[C@H](CC[NH2+][C@H](C)C(N)=O)NC(=O)Cc1[nH]cc[nH+]1 ZINC001268411481 827325479 /nfs/dbraw/zinc/32/54/79/827325479.db2.gz NZGWQEYECMEIMW-RKDXNWHRSA-N 2 2 267.333 -0.690 20 0 CBADLP CCN(CC[NH2+]CC(=O)N(C)C)C(=O)CCc1c[nH]c[nH+]1 ZINC001268452938 827333023 /nfs/dbraw/zinc/33/30/23/827333023.db2.gz CSWOTPYGLWBAIK-UHFFFAOYSA-N 2 2 295.387 -0.131 20 0 CBADLP CCN(CC[NH2+]CCO)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001268460031 827334087 /nfs/dbraw/zinc/33/40/87/827334087.db2.gz NLAYLWNHJHXWII-GFCCVEGCSA-N 2 2 280.372 -0.124 20 0 CBADLP CCN(CC[NH2+]CCO)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001268459311 827334992 /nfs/dbraw/zinc/33/49/92/827334992.db2.gz ANJKEGIRUSTQOG-GFCCVEGCSA-N 2 2 280.372 -0.124 20 0 CBADLP CNC(=O)C[NH2+]C/C=C\CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001268600399 827375616 /nfs/dbraw/zinc/37/56/16/827375616.db2.gz ZPLVTEQBTDWOLR-VSQXVHSFSA-N 2 2 293.371 -0.158 20 0 CBADLP CC(C)NC(=O)C[NH2+]C/C=C/CNC(=O)Cc1c[nH]c[nH+]1 ZINC001268599173 827376568 /nfs/dbraw/zinc/37/65/68/827376568.db2.gz UMAWTYYOECIDDM-ONEGZZNKSA-N 2 2 293.371 -0.261 20 0 CBADLP C[C@H](C[NH2+]CCCO)NC(=O)CCc1[nH+]ccn1C ZINC001268654651 827392559 /nfs/dbraw/zinc/39/25/59/827392559.db2.gz FZJQYOJKEXFJEO-LLVKDONJSA-N 2 2 268.361 -0.171 20 0 CBADLP CN(CCC[NH2+]CCO)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001268803751 827424746 /nfs/dbraw/zinc/42/47/46/827424746.db2.gz PPNYMDQHFGLSRD-LBPRGKRZSA-N 2 2 280.372 -0.124 20 0 CBADLP CN(CCC[NH2+]CC(N)=O)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001268802412 827424778 /nfs/dbraw/zinc/42/47/78/827424778.db2.gz ASLMOKDEGMSIAF-LLVKDONJSA-N 2 2 293.371 -0.631 20 0 CBADLP Cn1c[nH+]c([C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C(N)=O)c1 ZINC001269028676 827451567 /nfs/dbraw/zinc/45/15/67/827451567.db2.gz UCDDTXCTDHIGAX-GHMZBOCLSA-N 2 2 293.371 -0.601 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001269200516 827475412 /nfs/dbraw/zinc/47/54/12/827475412.db2.gz XEHPWKSLGPXVIS-SNVBAGLBSA-N 2 2 256.350 -0.998 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001269200516 827475415 /nfs/dbraw/zinc/47/54/15/827475415.db2.gz XEHPWKSLGPXVIS-SNVBAGLBSA-N 2 2 256.350 -0.998 20 0 CBADLP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001269200516 827475420 /nfs/dbraw/zinc/47/54/20/827475420.db2.gz XEHPWKSLGPXVIS-SNVBAGLBSA-N 2 2 256.350 -0.998 20 0 CBADLP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001269200516 827475422 /nfs/dbraw/zinc/47/54/22/827475422.db2.gz XEHPWKSLGPXVIS-SNVBAGLBSA-N 2 2 256.350 -0.998 20 0 CBADLP CC[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@@H](C)C(N)=O ZINC001269486253 827514532 /nfs/dbraw/zinc/51/45/32/827514532.db2.gz JGWUFTSQSQEJPX-IUCAKERBSA-N 2 2 267.333 -0.690 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@](C)(C[NH2+]CCCO)C2CC2)C1 ZINC001269605855 827522265 /nfs/dbraw/zinc/52/22/65/827522265.db2.gz JPZIKVVOFJPBDT-UKRRQHHQSA-N 2 2 299.415 -0.426 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N[C@](C)(C[NH2+]CCCO)C2CC2)C1 ZINC001269605855 827522267 /nfs/dbraw/zinc/52/22/67/827522267.db2.gz JPZIKVVOFJPBDT-UKRRQHHQSA-N 2 2 299.415 -0.426 20 0 CBADLP C[NH+](C)CCN1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001269841907 827533893 /nfs/dbraw/zinc/53/38/93/827533893.db2.gz COQIQZUHLXNMLW-UONOGXRCSA-N 2 2 291.399 -0.023 20 0 CBADLP C[C@@H](CNC(=O)CCc1[nH+]ccn1C)C[NH2+]CCO ZINC001270471576 827570424 /nfs/dbraw/zinc/57/04/24/827570424.db2.gz VBLOXJQCLGRNPK-LLVKDONJSA-N 2 2 268.361 -0.313 20 0 CBADLP C[C@@H](C(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2CC(=O)N(C)C)[NH+](C)C ZINC001271148101 827630178 /nfs/dbraw/zinc/63/01/78/827630178.db2.gz VCZFIQUPNVELKG-AVGNSLFASA-N 2 2 296.415 -0.300 20 0 CBADLP C[C@@H](C(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2CC(=O)N(C)C)[NH+](C)C ZINC001271148101 827630180 /nfs/dbraw/zinc/63/01/80/827630180.db2.gz VCZFIQUPNVELKG-AVGNSLFASA-N 2 2 296.415 -0.300 20 0 CBADLP COCCC[NH+]1CC(O)(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001271335864 827693148 /nfs/dbraw/zinc/69/31/48/827693148.db2.gz OIYOWUJYCQPRPY-ZDUSSCGKSA-N 2 2 299.415 -0.330 20 0 CBADLP COCCC[NH+]1CC(O)(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001271335864 827693156 /nfs/dbraw/zinc/69/31/56/827693156.db2.gz OIYOWUJYCQPRPY-ZDUSSCGKSA-N 2 2 299.415 -0.330 20 0 CBADLP CCOCC[NH+]1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001271388275 827697556 /nfs/dbraw/zinc/69/75/56/827697556.db2.gz UVFLPZRHCBBUTE-GFCCVEGCSA-N 2 2 285.388 -0.863 20 0 CBADLP CCOCC[NH+]1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001271388275 827697561 /nfs/dbraw/zinc/69/75/61/827697561.db2.gz UVFLPZRHCBBUTE-GFCCVEGCSA-N 2 2 285.388 -0.863 20 0 CBADLP C[NH+](C)C1(C(=O)N2[C@H]3COC[C@@H]2C[N@H+](C)C3)CC1 ZINC001272307955 827778891 /nfs/dbraw/zinc/77/88/91/827778891.db2.gz KECXFVRUJGPTBQ-PHIMTYICSA-N 2 2 253.346 -0.378 20 0 CBADLP C[NH+](C)C1(C(=O)N2[C@H]3COC[C@@H]2C[N@@H+](C)C3)CC1 ZINC001272307955 827778892 /nfs/dbraw/zinc/77/88/92/827778892.db2.gz KECXFVRUJGPTBQ-PHIMTYICSA-N 2 2 253.346 -0.378 20 0 CBADLP C[C@H](F)CC[NH2+]C[C@H](O)CNC(=O)Cc1c[nH+]cn1C ZINC001272560362 827820096 /nfs/dbraw/zinc/82/00/96/827820096.db2.gz PNIRWECFHDXDHG-JQWIXIFHSA-N 2 2 286.351 -0.223 20 0 CBADLP C[C@H](CC[NH2+]CC(N)=O)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001272873115 827845683 /nfs/dbraw/zinc/84/56/83/827845683.db2.gz GQBOSCIWPSNYRY-GHMZBOCLSA-N 2 2 293.371 -0.585 20 0 CBADLP C[C@@H](O)C[NH2+]CC[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001273045229 827859186 /nfs/dbraw/zinc/85/91/86/827859186.db2.gz QZCGNMYHMJYXNS-VHSXEESVSA-N 2 2 254.334 -0.183 20 0 CBADLP C[C@H](CC[NH2+]CCCO)NC(=O)Cn1cc[nH+]c1 ZINC001273212612 827873537 /nfs/dbraw/zinc/87/35/37/827873537.db2.gz OYHAKHYSJWJFCH-LLVKDONJSA-N 2 2 254.334 -0.250 20 0 CBADLP C[C@@H](CC[NH2+]CCCO)NC(=O)Cn1cc[nH+]c1 ZINC001273212613 827874044 /nfs/dbraw/zinc/87/40/44/827874044.db2.gz OYHAKHYSJWJFCH-NSHDSACASA-N 2 2 254.334 -0.250 20 0 CBADLP C[NH+](C)CCN1C[C@@H]2CCN(C(=O)C[NH+]3CCC3)[C@@H]2C1 ZINC001273366602 827895314 /nfs/dbraw/zinc/89/53/14/827895314.db2.gz HLHKKOHEIAINSB-UONOGXRCSA-N 2 2 280.416 -0.214 20 0 CBADLP CCN(CC[NH2+]C[C@@H](C)O)C(=O)Cc1[nH]cc[nH+]1 ZINC001273681334 827918319 /nfs/dbraw/zinc/91/83/19/827918319.db2.gz QUYNXYLIGUGMLC-SNVBAGLBSA-N 2 2 254.334 -0.229 20 0 CBADLP CN1C[C@]2(CC[N@H+](CCC[NH+](C)C)C2)OCC1=O ZINC001273715249 827922185 /nfs/dbraw/zinc/92/21/85/827922185.db2.gz ZXTVZJCKOBHPCP-ZDUSSCGKSA-N 2 2 255.362 -0.129 20 0 CBADLP CN1C[C@]2(CC[N@@H+](CCC[NH+](C)C)C2)OCC1=O ZINC001273715249 827922186 /nfs/dbraw/zinc/92/21/86/827922186.db2.gz ZXTVZJCKOBHPCP-ZDUSSCGKSA-N 2 2 255.362 -0.129 20 0 CBADLP CN1CC[C@]2(CC[N@H+](CC(=O)N3CC[NH+](C)CC3)C2)C1=O ZINC001273835087 827929934 /nfs/dbraw/zinc/92/99/34/827929934.db2.gz COLGXVBPTZKSDW-OAHLLOKOSA-N 2 2 294.399 -0.685 20 0 CBADLP CN1CC[C@]2(CC[N@@H+](CC(=O)N3CC[NH+](C)CC3)C2)C1=O ZINC001273835087 827929937 /nfs/dbraw/zinc/92/99/37/827929937.db2.gz COLGXVBPTZKSDW-OAHLLOKOSA-N 2 2 294.399 -0.685 20 0 CBADLP CN1C[C@@]2(CC[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)OCC1=O ZINC001273868429 827933348 /nfs/dbraw/zinc/93/33/48/827933348.db2.gz QTBXVWMQYQXFQH-IUODEOHRSA-N 2 2 299.415 -0.332 20 0 CBADLP CN1C[C@@]2(CC[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)OCC1=O ZINC001273868429 827933353 /nfs/dbraw/zinc/93/33/53/827933353.db2.gz QTBXVWMQYQXFQH-IUODEOHRSA-N 2 2 299.415 -0.332 20 0 CBADLP CCC(=O)C[N@@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273951252 827946099 /nfs/dbraw/zinc/94/60/99/827946099.db2.gz OSGCIURCXWZBDB-OAHLLOKOSA-N 2 2 297.399 -0.170 20 0 CBADLP CCC(=O)C[N@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273951252 827946104 /nfs/dbraw/zinc/94/61/04/827946104.db2.gz OSGCIURCXWZBDB-OAHLLOKOSA-N 2 2 297.399 -0.170 20 0 CBADLP CN1CC[C@H]([NH2+]C/C=C\CNC(=O)Cc2c[nH]c[nH+]2)C1=O ZINC001274391785 827986693 /nfs/dbraw/zinc/98/66/93/827986693.db2.gz AKMQPKVPBBFGFM-DLGQBQFBSA-N 2 2 291.355 -0.555 20 0 CBADLP CC[C@H](C(=O)NC/C=C\C[NH2+]Cc1cnn(C)n1)[NH+](C)C ZINC001274507105 827994957 /nfs/dbraw/zinc/99/49/57/827994957.db2.gz DXUPMRCLEAVYJS-FMFIFOJESA-N 2 2 294.403 -0.083 20 0 CBADLP CNC(=O)C[NH2+][C@@H](C)CCNC(=O)Cn1cc[nH+]c1 ZINC001274841276 828033729 /nfs/dbraw/zinc/03/37/29/828033729.db2.gz RCXKNBZYMLRXOV-JTQLQIEISA-N 2 2 267.333 -0.887 20 0 CBADLP CN(CCC[NH2+]Cc1nnnn1C)C(=O)Cn1cc[nH+]c1 ZINC001276410518 828144565 /nfs/dbraw/zinc/14/45/65/828144565.db2.gz BIRNVHXUHPTEPO-UHFFFAOYSA-N 2 2 292.347 -0.955 20 0 CBADLP C[C@@H]([NH2+]CCCN(C)C(=O)Cn1cc[nH+]c1)C(=O)N(C)C ZINC001276410687 828145537 /nfs/dbraw/zinc/14/55/37/828145537.db2.gz IIZRMIXIFDNHPH-GFCCVEGCSA-N 2 2 295.387 -0.202 20 0 CBADLP C[C@@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001276986533 828169855 /nfs/dbraw/zinc/16/98/55/828169855.db2.gz XGTYZYKXRRMHFG-GHMZBOCLSA-N 2 2 252.318 -0.546 20 0 CBADLP C[C@@H](O)C[N@H+]1CC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001276986533 828169858 /nfs/dbraw/zinc/16/98/58/828169858.db2.gz XGTYZYKXRRMHFG-GHMZBOCLSA-N 2 2 252.318 -0.546 20 0 CBADLP C[C@@H](O)C[N@@H+]1CC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001276986534 828170025 /nfs/dbraw/zinc/17/00/25/828170025.db2.gz XGTYZYKXRRMHFG-MNOVXSKESA-N 2 2 252.318 -0.546 20 0 CBADLP C[C@@H](O)C[N@H+]1CC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001276986534 828170027 /nfs/dbraw/zinc/17/00/27/828170027.db2.gz XGTYZYKXRRMHFG-MNOVXSKESA-N 2 2 252.318 -0.546 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]CCC[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001277306768 828182588 /nfs/dbraw/zinc/18/25/88/828182588.db2.gz ZNXYQHXHCKOFQJ-MNOVXSKESA-N 2 2 295.387 -0.039 20 0 CBADLP COC[C@@H](C(=O)OC)[N@@H+]1CC[C@H]2CN(CC[NH+](C)C)C[C@H]21 ZINC001277576745 828195849 /nfs/dbraw/zinc/19/58/49/828195849.db2.gz WFAOTNAPCIECHR-MJBXVCDLSA-N 2 2 299.415 -0.258 20 0 CBADLP COC[C@@H](C(=O)OC)[N@H+]1CC[C@H]2CN(CC[NH+](C)C)C[C@H]21 ZINC001277576745 828195850 /nfs/dbraw/zinc/19/58/50/828195850.db2.gz WFAOTNAPCIECHR-MJBXVCDLSA-N 2 2 299.415 -0.258 20 0 CBADLP COC[C@@H](C(=O)OC)[N@@H+]1CC[C@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001277573893 828195877 /nfs/dbraw/zinc/19/58/77/828195877.db2.gz BSTZEOTXLKVPKZ-IHRRRGAJSA-N 2 2 299.415 -0.115 20 0 CBADLP COC[C@@H](C(=O)OC)[N@H+]1CC[C@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001277573893 828195879 /nfs/dbraw/zinc/19/58/79/828195879.db2.gz BSTZEOTXLKVPKZ-IHRRRGAJSA-N 2 2 299.415 -0.115 20 0 CBADLP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@@H+]2CCS(C)(=O)=O ZINC001277588035 828196951 /nfs/dbraw/zinc/19/69/51/828196951.db2.gz CJGYUOJICWKPRR-STQMWFEESA-N 2 2 289.445 -0.259 20 0 CBADLP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@H+]2CCS(C)(=O)=O ZINC001277588035 828196952 /nfs/dbraw/zinc/19/69/52/828196952.db2.gz CJGYUOJICWKPRR-STQMWFEESA-N 2 2 289.445 -0.259 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)N1CCC[C@H]1C[NH2+]CCO ZINC001277907502 828217995 /nfs/dbraw/zinc/21/79/95/828217995.db2.gz BEYHWGZVGQPFFB-LBPRGKRZSA-N 2 2 280.372 -0.074 20 0 CBADLP CNC(=O)C[NH2+][C@H](C)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001277979398 828225515 /nfs/dbraw/zinc/22/55/15/828225515.db2.gz PHYPFCSCTNEVHZ-SECBINFHSA-N 2 2 267.333 -0.865 20 0 CBADLP C[C@H](CO)C[N@H+]1C[C@@H]2[C@H](C1)OCCN2CCn1cc[nH+]c1 ZINC001277998237 828228641 /nfs/dbraw/zinc/22/86/41/828228641.db2.gz GHZAVZKPPAOLQH-ZNMIVQPWSA-N 2 2 294.399 -0.104 20 0 CBADLP C[C@H](CO)C[N@@H+]1C[C@@H]2[C@H](C1)OCCN2CCn1cc[nH+]c1 ZINC001277998237 828228645 /nfs/dbraw/zinc/22/86/45/828228645.db2.gz GHZAVZKPPAOLQH-ZNMIVQPWSA-N 2 2 294.399 -0.104 20 0 CBADLP CCNC(=O)C[N@H+]1C[C@H]2CC[C@@H](C1)N2CC[NH+](C)C ZINC001278027688 828232051 /nfs/dbraw/zinc/23/20/51/828232051.db2.gz HZRILASESQWPPH-BETUJISGSA-N 2 2 268.405 -0.167 20 0 CBADLP CCNC(=O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2CC[NH+](C)C ZINC001278027688 828232059 /nfs/dbraw/zinc/23/20/59/828232059.db2.gz HZRILASESQWPPH-BETUJISGSA-N 2 2 268.405 -0.167 20 0 CBADLP C[C@H](O)C[NH2+]C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001278015364 828232223 /nfs/dbraw/zinc/23/22/23/828232223.db2.gz DEKPNJKVXPYHOE-RYUDHWBXSA-N 2 2 266.345 -0.156 20 0 CBADLP CCNC(=O)C[N@@H+]1C[C@@H]2COC[C@H](C1)N2CC[NH+](C)C ZINC001278029184 828233505 /nfs/dbraw/zinc/23/35/05/828233505.db2.gz SEEKRVUYIRSEHZ-BETUJISGSA-N 2 2 284.404 -0.931 20 0 CBADLP CCNC(=O)C[N@H+]1C[C@@H]2COC[C@H](C1)N2CC[NH+](C)C ZINC001278029184 828233508 /nfs/dbraw/zinc/23/35/08/828233508.db2.gz SEEKRVUYIRSEHZ-BETUJISGSA-N 2 2 284.404 -0.931 20 0 CBADLP CN1CC[NH+](CCCN2CC3(C2)C[NH+](C)C3)CC1 ZINC001278117500 828248748 /nfs/dbraw/zinc/24/87/48/828248748.db2.gz SNLMGCJITPQBKI-UHFFFAOYSA-N 2 2 252.406 -0.129 20 0 CBADLP CN1CC2(C1)C[NH+](CCCN1CC[NH+](C)CC1)C2 ZINC001278117500 828248758 /nfs/dbraw/zinc/24/87/58/828248758.db2.gz SNLMGCJITPQBKI-UHFFFAOYSA-N 2 2 252.406 -0.129 20 0 CBADLP COCC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001278106144 828249062 /nfs/dbraw/zinc/24/90/62/828249062.db2.gz UZWBWORKBWFFNV-NWDGAFQWSA-N 2 2 296.371 -0.841 20 0 CBADLP NC(=O)NC(=O)CC[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC001348971557 890741223 /nfs/dbraw/zinc/74/12/23/890741223.db2.gz DPNMXVQUCXFDKU-ZETCQYMHSA-N 2 2 251.290 -0.558 20 0 CBADLP NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CC2(C[NH3+])CC2)C1 ZINC001349471061 890820069 /nfs/dbraw/zinc/82/00/69/890820069.db2.gz AMJJKPAPWWCCLX-SNVBAGLBSA-N 2 2 268.361 -0.819 20 0 CBADLP NC(=O)C[N@H+]1CCC[C@@H](NC(=O)CC2(C[NH3+])CC2)C1 ZINC001349471061 890820083 /nfs/dbraw/zinc/82/00/83/890820083.db2.gz AMJJKPAPWWCCLX-SNVBAGLBSA-N 2 2 268.361 -0.819 20 0 CBADLP CN(C)C(=O)C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC001327679938 885451717 /nfs/dbraw/zinc/45/17/17/885451717.db2.gz KJWZIUNZPHAEQD-LBPRGKRZSA-N 2 2 255.362 -0.083 20 0 CBADLP C[N@@H+](CCO)C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001328799265 885812607 /nfs/dbraw/zinc/81/26/07/885812607.db2.gz XDSFXFPTIVFVOU-GFCCVEGCSA-N 2 2 266.345 -0.202 20 0 CBADLP C[N@H+](CCO)C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001328799265 885812604 /nfs/dbraw/zinc/81/26/04/885812604.db2.gz XDSFXFPTIVFVOU-GFCCVEGCSA-N 2 2 266.345 -0.202 20 0 CBADLP C[C@@H](C(=O)NC[C@H]1C[NH2+]CCCO1)n1cc[nH+]c1 ZINC001329567764 886124481 /nfs/dbraw/zinc/12/44/81/886124481.db2.gz AWKYAWRNPBKASZ-WDEREUQCSA-N 2 2 252.318 -0.061 20 0 CBADLP O=C(NC1CC1)[C@@H]1CCC[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC001330584040 886486766 /nfs/dbraw/zinc/48/67/66/886486766.db2.gz FHQDXVAEFCHIIR-DGCLKSJQSA-N 2 2 267.373 -0.035 20 0 CBADLP COCC[C@@H]([NH3+])Cc1cn(Cc2c[nH+]cn2C)nn1 ZINC001330773402 886560569 /nfs/dbraw/zinc/56/05/69/886560569.db2.gz APIMLRGHOOIUGQ-SNVBAGLBSA-N 2 2 264.333 -0.034 20 0 CBADLP Cn1c[nH+]cc1[C@@H](CO)NC(=O)C[NH2+]C(C)(C)C ZINC001332243050 887168307 /nfs/dbraw/zinc/16/83/07/887168307.db2.gz YHVKYZXQBGGGGT-SECBINFHSA-N 2 2 254.334 -0.042 20 0 CBADLP Cn1cc([C@@H](O)C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)cn1 ZINC001332358727 887225889 /nfs/dbraw/zinc/22/58/89/887225889.db2.gz LDQHMXSEAZQXAT-OLZOCXBDSA-N 2 2 268.361 -0.502 20 0 CBADLP Cn1cc([C@@H](O)C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)cn1 ZINC001332358727 887225905 /nfs/dbraw/zinc/22/59/05/887225905.db2.gz LDQHMXSEAZQXAT-OLZOCXBDSA-N 2 2 268.361 -0.502 20 0 CBADLP C[C@H](C(=O)N1CC[C@H]([NH3+])C[C@H]1C)[NH+]1CCN(C)CC1 ZINC001332829691 887439591 /nfs/dbraw/zinc/43/95/91/887439591.db2.gz FQDHNGBEEIXXET-UPJWGTAASA-N 2 2 268.405 -0.040 20 0 CBADLP C[NH+]1CCC(NC(=O)C[N@@H+]2CCCN(C=O)CC2)CC1 ZINC001333037050 887509313 /nfs/dbraw/zinc/50/93/13/887509313.db2.gz JGDGCEDEASRZTC-UHFFFAOYSA-N 2 2 282.388 -0.639 20 0 CBADLP C[NH+]1CCC(NC(=O)C[N@H+]2CCCN(C=O)CC2)CC1 ZINC001333037050 887509329 /nfs/dbraw/zinc/50/93/29/887509329.db2.gz JGDGCEDEASRZTC-UHFFFAOYSA-N 2 2 282.388 -0.639 20 0 CBADLP C[C@@H](C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1)N1CC[NH+](C)CC1 ZINC001335400497 888523757 /nfs/dbraw/zinc/52/37/57/888523757.db2.gz QGUCMOTVPLTSDJ-DZGCQCFKSA-N 3 2 284.448 -0.333 20 0 CBADLP C[C@@H](C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)N1CC[NH+](C)CC1 ZINC001335400497 888523766 /nfs/dbraw/zinc/52/37/66/888523766.db2.gz QGUCMOTVPLTSDJ-DZGCQCFKSA-N 3 2 284.448 -0.333 20 0 CBADLP C[C@]1(C(=O)NCC[NH+]2CCC([NH3+])CC2)CC[NH2+]C1 ZINC001340941966 889519684 /nfs/dbraw/zinc/51/96/84/889519684.db2.gz GXGXSTHVJRETMS-ZDUSSCGKSA-N 3 2 254.378 -0.475 20 0 CBADLP [NH3+][C@@]1(CO)CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001341117369 889544119 /nfs/dbraw/zinc/54/41/19/889544119.db2.gz XYSMMMGXPKIILC-LBPRGKRZSA-N 2 2 252.318 -0.415 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)[C@H]2CCCNC2=O)CC1 ZINC001341691352 889648104 /nfs/dbraw/zinc/64/81/04/889648104.db2.gz XCOVRUXFRIYSKL-NSHDSACASA-N 2 2 268.361 -0.948 20 0 CBADLP Cc1cn(C(C)(C)C(=O)NCC2C[NH+](CCO)C2)c[nH+]1 ZINC001443592693 912237977 /nfs/dbraw/zinc/23/79/77/912237977.db2.gz VLAXTGKSQJVXIG-UHFFFAOYSA-N 2 2 280.372 -0.033 20 0 CBADLP CNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001443610730 912243615 /nfs/dbraw/zinc/24/36/15/912243615.db2.gz DLPXNGNUSLLYLA-NWDGAFQWSA-N 2 2 296.415 -0.489 20 0 CBADLP CNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001443610730 912243632 /nfs/dbraw/zinc/24/36/32/912243632.db2.gz DLPXNGNUSLLYLA-NWDGAFQWSA-N 2 2 296.415 -0.489 20 0 CBADLP CC[C@@H](CNC(=O)CCn1cc[nH+]c1)[NH2+][C@H](C)C(=O)NC ZINC001443965352 912320583 /nfs/dbraw/zinc/32/05/83/912320583.db2.gz BCKNCROSMJJEDM-NEPJUHHUSA-N 2 2 295.387 -0.108 20 0 CBADLP CC[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@@H](C)C(=O)NC ZINC001444010691 912322700 /nfs/dbraw/zinc/32/27/00/912322700.db2.gz QELMDQZGKKLNIM-UWVGGRQHSA-N 2 2 281.360 -0.429 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C[NH2+]C1CC1 ZINC001342951802 889848474 /nfs/dbraw/zinc/84/84/74/889848474.db2.gz PREKULQOKLMSMB-NSHDSACASA-N 2 2 255.362 -0.083 20 0 CBADLP COC[C@H]([NH3+])C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC001343422915 889906654 /nfs/dbraw/zinc/90/66/54/889906654.db2.gz ASNJQPZZFPVADW-VIFPVBQESA-N 2 2 255.322 -0.924 20 0 CBADLP C[C@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)C[NH2+]CC(N)=O ZINC001444341500 912426562 /nfs/dbraw/zinc/42/65/62/912426562.db2.gz CFTLRFJLZPUKMW-QWRGUYRKSA-N 2 2 293.371 -0.727 20 0 CBADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+][C@@H]1CCN(C)C1=O ZINC001444415784 912448406 /nfs/dbraw/zinc/44/84/06/912448406.db2.gz ARTGDXIMKINABL-NWDGAFQWSA-N 2 2 293.371 -0.544 20 0 CBADLP CC1=NO[C@@H](C(=O)NCC[NH+]2CCC([NH3+])CC2)C1 ZINC001344708652 890054685 /nfs/dbraw/zinc/05/46/85/890054685.db2.gz NPBPOIAQPULPSL-LLVKDONJSA-N 2 2 254.334 -0.310 20 0 CBADLP COC[C@H](O)C[NH2+]C[C@H](C)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001444691858 912490854 /nfs/dbraw/zinc/49/08/54/912490854.db2.gz RIKAKWIGENGAID-CMPLNLGQSA-N 2 2 284.360 -0.604 20 0 CBADLP C[C@@H](C[NH2+]CC(=O)N(C)C)N(C)C(=O)Cc1c[nH+]cn1C ZINC001444711825 912493020 /nfs/dbraw/zinc/49/30/20/912493020.db2.gz QQJOFWBTPQYXDV-NSHDSACASA-N 2 2 295.387 -0.513 20 0 CBADLP C[C@@H](C[NH2+][C@H]1CCCNC1=O)N(C)C(=O)Cn1cc[nH+]c1 ZINC001444727302 912498783 /nfs/dbraw/zinc/49/87/83/912498783.db2.gz NLAWSXVZYIQBQA-RYUDHWBXSA-N 2 2 293.371 -0.402 20 0 CBADLP CC(C)[C@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]CC(N)=O ZINC001444941877 912520163 /nfs/dbraw/zinc/52/01/63/912520163.db2.gz XLKSTHZJSTZERS-NSHDSACASA-N 2 2 281.360 -0.822 20 0 CBADLP CCNC(=O)C[N@H+](C)CCN(C)C(=O)C[NH+](C)C1CCC1 ZINC001444992126 912537625 /nfs/dbraw/zinc/53/76/25/912537625.db2.gz KVOFCLLIWBNDEH-UHFFFAOYSA-N 2 2 298.431 -0.003 20 0 CBADLP CCNC(=O)C[N@@H+](C)CCN(C)C(=O)C[NH+](C)C1CCC1 ZINC001444992126 912537640 /nfs/dbraw/zinc/53/76/40/912537640.db2.gz KVOFCLLIWBNDEH-UHFFFAOYSA-N 2 2 298.431 -0.003 20 0 CBADLP CCNC(=O)C[NH+](C)CCN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001444992126 912537656 /nfs/dbraw/zinc/53/76/56/912537656.db2.gz KVOFCLLIWBNDEH-UHFFFAOYSA-N 2 2 298.431 -0.003 20 0 CBADLP CCNC(=O)C[NH+](C)CCN(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001444992126 912537674 /nfs/dbraw/zinc/53/76/74/912537674.db2.gz KVOFCLLIWBNDEH-UHFFFAOYSA-N 2 2 298.431 -0.003 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N(C)CC[NH+](C)CC(=O)N1CCC1 ZINC001445083815 912554214 /nfs/dbraw/zinc/55/42/14/912554214.db2.gz KEOHONJEUGRZHO-UHFFFAOYSA-N 2 2 298.431 -0.051 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N(C)CC[NH+](C)CC(=O)N1CCC1 ZINC001445083815 912554229 /nfs/dbraw/zinc/55/42/29/912554229.db2.gz KEOHONJEUGRZHO-UHFFFAOYSA-N 2 2 298.431 -0.051 20 0 CBADLP CC(C)[NH+](C)CC(=O)N(C)CC[N@H+](C)CC(=O)N1CCC1 ZINC001445083815 912554243 /nfs/dbraw/zinc/55/42/43/912554243.db2.gz KEOHONJEUGRZHO-UHFFFAOYSA-N 2 2 298.431 -0.051 20 0 CBADLP CC(C)[NH+](C)CC(=O)N(C)CC[N@@H+](C)CC(=O)N1CCC1 ZINC001445083815 912554262 /nfs/dbraw/zinc/55/42/62/912554262.db2.gz KEOHONJEUGRZHO-UHFFFAOYSA-N 2 2 298.431 -0.051 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC001346304861 890265242 /nfs/dbraw/zinc/26/52/42/890265242.db2.gz DIIMMEHJIKLQLG-LLVKDONJSA-N 2 2 264.329 -0.462 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC001346304861 890265262 /nfs/dbraw/zinc/26/52/62/890265262.db2.gz DIIMMEHJIKLQLG-LLVKDONJSA-N 2 2 264.329 -0.462 20 0 CBADLP Cc1cc(C[NH2+]C[C@H](O)CNC(=O)C[NH+]2CCCC2)no1 ZINC001445279076 912626078 /nfs/dbraw/zinc/62/60/78/912626078.db2.gz YGFRJACHQOEZNK-ZDUSSCGKSA-N 2 2 296.371 -0.354 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001445397368 912656570 /nfs/dbraw/zinc/65/65/70/912656570.db2.gz LJPHEYCLYLBFPU-GHMZBOCLSA-N 2 2 293.371 -0.714 20 0 CBADLP C[C@H](C[NH2+]CC(N)=O)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001445395847 912656604 /nfs/dbraw/zinc/65/66/04/912656604.db2.gz LXROBKAIBWTEBQ-ZJUUUORDSA-N 2 2 279.344 -0.975 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@H](C)C[NH2+]Cc2ccon2)C1 ZINC001445493394 912674632 /nfs/dbraw/zinc/67/46/32/912674632.db2.gz CHZVABFGOYRLDH-YPMHNXCESA-N 2 2 296.371 -0.010 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)N[C@H](C)C[NH2+]Cc2ccon2)C1 ZINC001445493394 912674642 /nfs/dbraw/zinc/67/46/42/912674642.db2.gz CHZVABFGOYRLDH-YPMHNXCESA-N 2 2 296.371 -0.010 20 0 CBADLP Cc1nnc(C[NH2+]C[C@H](C)NC(=O)Cn2c[nH+]cc2C)[nH]1 ZINC001445577937 912702311 /nfs/dbraw/zinc/70/23/11/912702311.db2.gz ONGMMLTYWAXQAZ-VIFPVBQESA-N 2 2 291.359 -0.087 20 0 CBADLP CNC(=O)C[NH2+]C[C@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001445619944 912715756 /nfs/dbraw/zinc/71/57/56/912715756.db2.gz ZRCQBZQMFPNUCT-WDEREUQCSA-N 2 2 281.360 -0.326 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001445985792 912796121 /nfs/dbraw/zinc/79/61/21/912796121.db2.gz IGYAGDGFDIYTQG-GXSJLCMTSA-N 2 2 293.371 -0.429 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001446130381 912816485 /nfs/dbraw/zinc/81/64/85/912816485.db2.gz OKMSEXANJAPJCA-RYUDHWBXSA-N 2 2 293.371 -0.354 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001446130381 912816501 /nfs/dbraw/zinc/81/65/01/912816501.db2.gz OKMSEXANJAPJCA-RYUDHWBXSA-N 2 2 293.371 -0.354 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001446130386 912820147 /nfs/dbraw/zinc/82/01/47/912820147.db2.gz OKMSEXANJAPJCA-VXGBXAGGSA-N 2 2 293.371 -0.354 20 0 CBADLP CC[C@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001446130386 912820161 /nfs/dbraw/zinc/82/01/61/912820161.db2.gz OKMSEXANJAPJCA-VXGBXAGGSA-N 2 2 293.371 -0.354 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]Cc2cnon2)CC1 ZINC001446150681 912826619 /nfs/dbraw/zinc/82/66/19/912826619.db2.gz COGOYBIDTMNKAC-NSHDSACASA-N 2 2 279.344 -0.098 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]Cc2cnon2)CC1 ZINC001446150681 912826638 /nfs/dbraw/zinc/82/66/38/912826638.db2.gz COGOYBIDTMNKAC-NSHDSACASA-N 2 2 279.344 -0.098 20 0 CBADLP O=C(NC[C@H]1CC[N@@H+](CCO)C1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001028642274 884614990 /nfs/dbraw/zinc/61/49/90/884614990.db2.gz RPUCUYXPGOSSLW-CHWSQXEVSA-N 2 2 292.383 -0.124 20 0 CBADLP O=C(NC[C@H]1CC[N@H+](CCO)C1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001028642274 884614998 /nfs/dbraw/zinc/61/49/98/884614998.db2.gz RPUCUYXPGOSSLW-CHWSQXEVSA-N 2 2 292.383 -0.124 20 0 CBADLP COCC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](O)C1 ZINC001090599368 884645053 /nfs/dbraw/zinc/64/50/53/884645053.db2.gz DPBWYXHIHDEZMY-VXGBXAGGSA-N 2 2 282.344 -0.850 20 0 CBADLP COCC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](O)C1 ZINC001090599368 884645062 /nfs/dbraw/zinc/64/50/62/884645062.db2.gz DPBWYXHIHDEZMY-VXGBXAGGSA-N 2 2 282.344 -0.850 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N1CCC[C@@H]([NH2+]CCCO)C1 ZINC001210305169 884761985 /nfs/dbraw/zinc/76/19/85/884761985.db2.gz TZSIVMYDNJFNCV-LLVKDONJSA-N 2 2 266.345 -0.085 20 0 CBADLP COCCC[N@@H+]1CC[C@](O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001278815565 884818922 /nfs/dbraw/zinc/81/89/22/884818922.db2.gz GVNORZFZNXILFC-AWEZNQCLSA-N 2 2 296.371 -0.458 20 0 CBADLP COCCC[N@H+]1CC[C@](O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001278815565 884818938 /nfs/dbraw/zinc/81/89/38/884818938.db2.gz GVNORZFZNXILFC-AWEZNQCLSA-N 2 2 296.371 -0.458 20 0 CBADLP C[C@@]1(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)CC[NH2+]C1 ZINC001326237307 884953218 /nfs/dbraw/zinc/95/32/18/884953218.db2.gz VVNPBRHIQOTKIC-UONOGXRCSA-N 3 2 252.406 -0.035 20 0 CBADLP NC(=O)C[N@@H+]1CCC[C@H](NC(=O)C[C@H]([NH3+])C2CC2)C1 ZINC001326372050 885006763 /nfs/dbraw/zinc/00/67/63/885006763.db2.gz XCHMJWYQKOHBPN-QWRGUYRKSA-N 2 2 268.361 -0.820 20 0 CBADLP NC(=O)C[N@H+]1CCC[C@H](NC(=O)C[C@H]([NH3+])C2CC2)C1 ZINC001326372050 885006778 /nfs/dbraw/zinc/00/67/78/885006778.db2.gz XCHMJWYQKOHBPN-QWRGUYRKSA-N 2 2 268.361 -0.820 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](CC[NH2+]CC(N)=O)C1 ZINC001326419326 885021871 /nfs/dbraw/zinc/02/18/71/885021871.db2.gz PEHKXVSGRVOGLA-NSHDSACASA-N 2 2 293.371 -0.426 20 0 CBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)CCC[NH2+]C ZINC001326556070 885064913 /nfs/dbraw/zinc/06/49/13/885064913.db2.gz ATGNZLXXVRCIEU-JTQLQIEISA-N 2 2 257.334 -0.651 20 0 CBADLP C[NH2+][C@@H](C(=O)NCCc1[nH]cc[nH+]1)c1cnn(C)c1 ZINC001327182760 885280628 /nfs/dbraw/zinc/28/06/28/885280628.db2.gz ZVADVOSKAWQQOZ-LLVKDONJSA-N 2 2 262.317 -0.237 20 0 CBADLP CCN1C(=O)[C@@H]2C[N@H+](C[C@H]3CCC[NH2+]C3)CCN2C1=O ZINC001327863165 885504915 /nfs/dbraw/zinc/50/49/15/885504915.db2.gz DYHXVSJECRBEQG-RYUDHWBXSA-N 2 2 280.372 -0.046 20 0 CBADLP CCN1C(=O)[C@@H]2C[N@@H+](C[C@H]3CCC[NH2+]C3)CCN2C1=O ZINC001327863165 885504926 /nfs/dbraw/zinc/50/49/26/885504926.db2.gz DYHXVSJECRBEQG-RYUDHWBXSA-N 2 2 280.372 -0.046 20 0 CBADLP CC(C)CC[NH+]1CC(O)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001446825829 912960360 /nfs/dbraw/zinc/96/03/60/912960360.db2.gz BNYDITRRJYIMHT-ZDUSSCGKSA-N 2 2 299.415 -0.474 20 0 CBADLP CC(C)CC[NH+]1CC(O)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001446825829 912960383 /nfs/dbraw/zinc/96/03/83/912960383.db2.gz BNYDITRRJYIMHT-ZDUSSCGKSA-N 2 2 299.415 -0.474 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C[C@@H]([NH3+])C1CC1 ZINC001328581688 885734991 /nfs/dbraw/zinc/73/49/91/885734991.db2.gz UDGVBGHVYSASKK-CMPLNLGQSA-N 2 2 255.362 -0.049 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)C[C@@H]([NH3+])C1CC1 ZINC001328581688 885734996 /nfs/dbraw/zinc/73/49/96/885734996.db2.gz UDGVBGHVYSASKK-CMPLNLGQSA-N 2 2 255.362 -0.049 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)NCC2(O)C[NH+](CC3CC3)C2)C1 ZINC001446917885 912977535 /nfs/dbraw/zinc/97/75/35/912977535.db2.gz IUTTYKANKWMSOW-ZDUSSCGKSA-N 2 2 297.399 -0.720 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)NCC2(O)C[NH+](CC3CC3)C2)C1 ZINC001446917885 912977556 /nfs/dbraw/zinc/97/75/56/912977556.db2.gz IUTTYKANKWMSOW-ZDUSSCGKSA-N 2 2 297.399 -0.720 20 0 CBADLP C[C@@H](F)CC[NH+]1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001446909860 912979579 /nfs/dbraw/zinc/97/95/79/912979579.db2.gz DMPAZXJXNSGRQQ-VXGBXAGGSA-N 2 2 287.379 -0.151 20 0 CBADLP C[C@@H](F)CC[NH+]1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001446909860 912979589 /nfs/dbraw/zinc/97/95/89/912979589.db2.gz DMPAZXJXNSGRQQ-VXGBXAGGSA-N 2 2 287.379 -0.151 20 0 CBADLP COC(=O)[C@@H]([NH3+])Cc1cn(CC[NH+]2CCCC2)nn1 ZINC001329316658 886009909 /nfs/dbraw/zinc/00/99/09/886009909.db2.gz VZWUYNOFNMFENT-NSHDSACASA-N 2 2 267.333 -0.583 20 0 CBADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CC(=O)N1CC[NH2+]CC1 ZINC001329490558 886092425 /nfs/dbraw/zinc/09/24/25/886092425.db2.gz MSJRLQDVRIKTMV-YHWZYXNKSA-N 3 2 266.389 -0.238 20 0 CBADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC(=O)N1CC[NH2+]CC1 ZINC001329490558 886092440 /nfs/dbraw/zinc/09/24/40/886092440.db2.gz MSJRLQDVRIKTMV-YHWZYXNKSA-N 3 2 266.389 -0.238 20 0 CBADLP C[C@@H]1C[N@H+](CCN2CCN([C@H]3CC[NH2+]C3)CC2)CCO1 ZINC001329500226 886097604 /nfs/dbraw/zinc/09/76/04/886097604.db2.gz ZWOLLBXXGHGYBJ-CABCVRRESA-N 2 2 282.432 -0.313 20 0 CBADLP C[C@@H]1C[N@@H+](CCN2CCN([C@H]3CC[NH2+]C3)CC2)CCO1 ZINC001329500226 886097609 /nfs/dbraw/zinc/09/76/09/886097609.db2.gz ZWOLLBXXGHGYBJ-CABCVRRESA-N 2 2 282.432 -0.313 20 0 CBADLP C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001329564476 886123235 /nfs/dbraw/zinc/12/32/35/886123235.db2.gz NJETVDFSZPNTCN-LPEHRKFASA-N 2 2 256.350 -0.964 20 0 CBADLP C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001329564476 886123244 /nfs/dbraw/zinc/12/32/44/886123244.db2.gz NJETVDFSZPNTCN-LPEHRKFASA-N 2 2 256.350 -0.964 20 0 CBADLP Cc1[nH+]c[nH]c1CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC001329570615 886127281 /nfs/dbraw/zinc/12/72/81/886127281.db2.gz SSANTXSPKVCGFA-SECBINFHSA-N 2 2 265.317 -0.797 20 0 CBADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CC(N)=O)CC2)CC1 ZINC001330336326 886419776 /nfs/dbraw/zinc/41/97/76/886419776.db2.gz FETWCAFICKUDKJ-UHFFFAOYSA-N 2 2 282.388 -0.463 20 0 CBADLP O=C(NC1CC1)[C@@H]1CCC[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC001330584040 886486755 /nfs/dbraw/zinc/48/67/55/886486755.db2.gz FHQDXVAEFCHIIR-DGCLKSJQSA-N 2 2 267.373 -0.035 20 0 CBADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCOC2(C[NH2+]C2)C1 ZINC001330600798 886496571 /nfs/dbraw/zinc/49/65/71/886496571.db2.gz ASWHYPAIVXSGLJ-NXEZZACHSA-N 2 2 262.313 -0.286 20 0 CBADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCOC2(C[NH2+]C2)C1 ZINC001330600798 886496579 /nfs/dbraw/zinc/49/65/79/886496579.db2.gz ASWHYPAIVXSGLJ-NXEZZACHSA-N 2 2 262.313 -0.286 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC001330601346 886496609 /nfs/dbraw/zinc/49/66/09/886496609.db2.gz FZKPGMKOKFCVJU-UHFFFAOYSA-N 2 2 250.302 -0.539 20 0 CBADLP O=C(N[C@H]1C[C@H](C[NH2+]CCO)C1)[C@H]1CCn2cc[nH+]c2C1 ZINC001330622450 886509012 /nfs/dbraw/zinc/50/90/12/886509012.db2.gz PSRDHLWAORNXOB-AVGNSLFASA-N 2 2 292.383 -0.078 20 0 CBADLP O[C@@H]1CC[N@@H+](C2CC[NH+](CCn3cnnn3)CC2)C1 ZINC001330683775 886531291 /nfs/dbraw/zinc/53/12/91/886531291.db2.gz MSLREJLEBUDTGJ-GFCCVEGCSA-N 2 2 266.349 -0.796 20 0 CBADLP O[C@@H]1CC[N@H+](C2CC[NH+](CCn3cnnn3)CC2)C1 ZINC001330683775 886531299 /nfs/dbraw/zinc/53/12/99/886531299.db2.gz MSLREJLEBUDTGJ-GFCCVEGCSA-N 2 2 266.349 -0.796 20 0 CBADLP CNC(=O)[C@H](C)[N@H+](C)CCCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001447362628 913065404 /nfs/dbraw/zinc/06/54/04/913065404.db2.gz NFJUZGNYOATXMV-NSHDSACASA-N 2 2 295.387 -0.133 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+](C)CCCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001447362628 913065422 /nfs/dbraw/zinc/06/54/22/913065422.db2.gz NFJUZGNYOATXMV-NSHDSACASA-N 2 2 295.387 -0.133 20 0 CBADLP [NH3+]CC1(NC(=O)/C=C\C[NH+]2CCOCC2)CCOCC1 ZINC001331059421 886662963 /nfs/dbraw/zinc/66/29/63/886662963.db2.gz RVBWDJTYFARPEM-UPHRSURJSA-N 2 2 283.372 -0.501 20 0 CBADLP COCC[C@H]([NH3+])C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC001331322174 886776976 /nfs/dbraw/zinc/77/69/76/886776976.db2.gz KGSNSSPTKLMYPS-MNOVXSKESA-N 2 2 259.350 -0.813 20 0 CBADLP COCC[C@H]([NH3+])C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC001331322174 886776980 /nfs/dbraw/zinc/77/69/80/886776980.db2.gz KGSNSSPTKLMYPS-MNOVXSKESA-N 2 2 259.350 -0.813 20 0 CBADLP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CCO1 ZINC001331224773 886738337 /nfs/dbraw/zinc/73/83/37/886738337.db2.gz KHUFSFXABNSYKF-GHMZBOCLSA-N 2 2 264.329 -0.368 20 0 CBADLP O=C(CCc1[nH]cc[nH+]1)NCC[N@H+]1CC[C@@H](O)C1 ZINC001331722369 886937239 /nfs/dbraw/zinc/93/72/39/886937239.db2.gz ICHWMNXKXLIHQE-SNVBAGLBSA-N 2 2 252.318 -0.475 20 0 CBADLP O=C(CCc1[nH]cc[nH+]1)NCC[N@@H+]1CC[C@@H](O)C1 ZINC001331722369 886937249 /nfs/dbraw/zinc/93/72/49/886937249.db2.gz ICHWMNXKXLIHQE-SNVBAGLBSA-N 2 2 252.318 -0.475 20 0 CBADLP CON1CC[C@@H]([NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)C1=O ZINC001331965656 887069451 /nfs/dbraw/zinc/06/94/51/887069451.db2.gz KCFJLXQUEYVJKJ-VXGBXAGGSA-N 2 2 268.361 -0.872 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[C@@H](C[NH2+]CCO)C1 ZINC001332338550 887211014 /nfs/dbraw/zinc/21/10/14/887211014.db2.gz CUQAZJSENFFTLJ-VXGBXAGGSA-N 2 2 266.345 -0.250 20 0 CBADLP [NH3+][C@@H]1CCCN(Cc2cn(Cc3[nH]cc[nH+]3)nn2)C1 ZINC001332375598 887239504 /nfs/dbraw/zinc/23/95/04/887239504.db2.gz FADUABVTUUZKAJ-SNVBAGLBSA-N 2 2 261.333 -0.027 20 0 CBADLP C[NH2+]CCC[N@@H+]1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001332425156 887274528 /nfs/dbraw/zinc/27/45/28/887274528.db2.gz WHAXXXWBTWAVAV-KBPBESRZSA-N 3 2 295.431 -0.184 20 0 CBADLP C[NH2+]CCC[N@H+]1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001332425156 887274545 /nfs/dbraw/zinc/27/45/45/887274545.db2.gz WHAXXXWBTWAVAV-KBPBESRZSA-N 3 2 295.431 -0.184 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001332521781 887336120 /nfs/dbraw/zinc/33/61/20/887336120.db2.gz VCMMCQWTHSCRBE-WOPDTQHZSA-N 2 2 268.361 -0.537 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001332521781 887336129 /nfs/dbraw/zinc/33/61/29/887336129.db2.gz VCMMCQWTHSCRBE-WOPDTQHZSA-N 2 2 268.361 -0.537 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC001332960144 887490497 /nfs/dbraw/zinc/49/04/97/887490497.db2.gz FMRRRUVDBNFSEE-GZMMTYOYSA-N 2 2 252.318 -0.165 20 0 CBADLP CC[N@H+](C)C[C@H](O)Cn1cc(Cn2cc[nH+]c2)nn1 ZINC001333126267 887538424 /nfs/dbraw/zinc/53/84/24/887538424.db2.gz WDEXTBDALYJKST-LBPRGKRZSA-N 2 2 264.333 -0.165 20 0 CBADLP CC[N@@H+](C)C[C@H](O)Cn1cc(Cn2cc[nH+]c2)nn1 ZINC001333126267 887538434 /nfs/dbraw/zinc/53/84/34/887538434.db2.gz WDEXTBDALYJKST-LBPRGKRZSA-N 2 2 264.333 -0.165 20 0 CBADLP [NH3+]C[C@H]1CCCN1C(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC001333961448 887820802 /nfs/dbraw/zinc/82/08/02/887820802.db2.gz WNUORONWBHQZFW-GHMZBOCLSA-N 2 2 291.355 -0.736 20 0 CBADLP C[N@@H+]1CCC[C@@H](N2CC[NH+]([C@H]3C[C@H]([NH3+])C[C@@H]3O)CC2)C1 ZINC001334338666 887925604 /nfs/dbraw/zinc/92/56/04/887925604.db2.gz QEVFEMDKDLWSCZ-XGUBFFRZSA-N 3 2 282.432 -0.451 20 0 CBADLP C[N@H+]1CCC[C@@H](N2CC[NH+]([C@H]3C[C@H]([NH3+])C[C@@H]3O)CC2)C1 ZINC001334338666 887925609 /nfs/dbraw/zinc/92/56/09/887925609.db2.gz QEVFEMDKDLWSCZ-XGUBFFRZSA-N 3 2 282.432 -0.451 20 0 CBADLP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1nnc2c(=O)n(C)ccn12 ZINC001334391545 887949102 /nfs/dbraw/zinc/94/91/02/887949102.db2.gz VGWSROKGIIUEDO-DTWKUNHWSA-N 2 2 264.333 -0.357 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)Cc1cnnn1C ZINC001448148644 913239469 /nfs/dbraw/zinc/23/94/69/913239469.db2.gz QIZUTLFEUWHBQR-RYUDHWBXSA-N 2 2 294.403 -0.297 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH+](C)Cc1cnnn1C ZINC001448148644 913239485 /nfs/dbraw/zinc/23/94/85/913239485.db2.gz QIZUTLFEUWHBQR-RYUDHWBXSA-N 2 2 294.403 -0.297 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1CC[NH+](C)C1)[N@H+](C)Cc1cnnn1C ZINC001448148644 913239504 /nfs/dbraw/zinc/23/95/04/913239504.db2.gz QIZUTLFEUWHBQR-RYUDHWBXSA-N 2 2 294.403 -0.297 20 0 CBADLP C[C@@H](CNC(=O)[C@H]1CC[NH+](C)C1)[N@@H+](C)Cc1cnnn1C ZINC001448148644 913239524 /nfs/dbraw/zinc/23/95/24/913239524.db2.gz QIZUTLFEUWHBQR-RYUDHWBXSA-N 2 2 294.403 -0.297 20 0 CBADLP CC(C)C[NH+]1CC(CCO)(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001448164792 913245373 /nfs/dbraw/zinc/24/53/73/913245373.db2.gz SWPZRSCPGXVGGJ-ZDUSSCGKSA-N 2 2 299.415 -0.474 20 0 CBADLP CC(C)C[NH+]1CC(CCO)(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001448164792 913245392 /nfs/dbraw/zinc/24/53/92/913245392.db2.gz SWPZRSCPGXVGGJ-ZDUSSCGKSA-N 2 2 299.415 -0.474 20 0 CBADLP CCOCCNC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001335376200 888517337 /nfs/dbraw/zinc/51/73/37/888517337.db2.gz SODCNGVPSLAEGK-UHFFFAOYSA-N 2 2 258.366 -0.255 20 0 CBADLP CCS(=O)(=O)C[C@H](C)[NH2+]CC1([NH3+])CCOCC1 ZINC001335383117 888520518 /nfs/dbraw/zinc/52/05/18/888520518.db2.gz RAVOFJURAXQVJP-JTQLQIEISA-N 2 2 264.391 -0.093 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC001335611537 888581797 /nfs/dbraw/zinc/58/17/97/888581797.db2.gz VTEBTDQFSZCTQA-NSHDSACASA-N 3 2 255.366 -0.929 20 0 CBADLP [NH3+]C[C@H]1C[C@H](NC(=O)NCC[NH+]2CCC([NH3+])CC2)C1 ZINC001335623264 888586531 /nfs/dbraw/zinc/58/65/31/888586531.db2.gz NCUMLTBGIKMOHY-UMSPYCQHSA-N 3 2 269.393 -0.554 20 0 CBADLP CC(C)[N@H+](C)CCC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001335933143 888654128 /nfs/dbraw/zinc/65/41/28/888654128.db2.gz DTHUGYYCVPVIKG-HNNXBMFYSA-N 3 2 286.464 -0.085 20 0 CBADLP CC(C)[N@@H+](C)CCC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001335933143 888654142 /nfs/dbraw/zinc/65/41/42/888654142.db2.gz DTHUGYYCVPVIKG-HNNXBMFYSA-N 3 2 286.464 -0.085 20 0 CBADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H](C)C[NH3+] ZINC001336133977 888701353 /nfs/dbraw/zinc/70/13/53/888701353.db2.gz QIFPWZIKQKGXHB-WDEREUQCSA-N 2 2 258.366 -0.256 20 0 CBADLP C[C@@H](NC(=O)C[N@H+](C)C1CCC1)C1C[NH+]([C@H](C)C(N)=O)C1 ZINC001448299213 913274905 /nfs/dbraw/zinc/27/49/05/913274905.db2.gz FQGHWJHISRFONZ-GHMZBOCLSA-N 2 2 296.415 -0.219 20 0 CBADLP C[C@@H](NC(=O)C[N@@H+](C)C1CCC1)C1C[NH+]([C@H](C)C(N)=O)C1 ZINC001448299213 913274922 /nfs/dbraw/zinc/27/49/22/913274922.db2.gz FQGHWJHISRFONZ-GHMZBOCLSA-N 2 2 296.415 -0.219 20 0 CBADLP C[C@@H](NC(=O)C1([NH+](C)C)CCC1)C1C[NH+](CC(N)=O)C1 ZINC001448299110 913271566 /nfs/dbraw/zinc/27/15/66/913271566.db2.gz FESHPHMJEJONAZ-SNVBAGLBSA-N 2 2 282.388 -0.608 20 0 CBADLP [NH3+]C1CCN(C(=O)NCC[NH+]2CCC([NH3+])CC2)CC1 ZINC001336192244 888717172 /nfs/dbraw/zinc/71/71/72/888717172.db2.gz JLSKDWXJXDKHBP-UHFFFAOYSA-N 3 2 269.393 -0.458 20 0 CBADLP C[C@@H](NC(=O)C1([NH+](C)C)CCC1)C1C[NH+]([C@H](C)C(N)=O)C1 ZINC001448302593 913273311 /nfs/dbraw/zinc/27/33/11/913273311.db2.gz IQFNVPUKUFAJKC-GHMZBOCLSA-N 2 2 296.415 -0.219 20 0 CBADLP [NH3+][C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001336632770 888824837 /nfs/dbraw/zinc/82/48/37/888824837.db2.gz ZFCBFFRFGSTJAV-WDEREUQCSA-N 2 2 291.355 -0.736 20 0 CBADLP COC[C@@H]1C[NH2+]CCN1C(=O)NCCCn1cc[nH+]c1 ZINC001336711300 888853063 /nfs/dbraw/zinc/85/30/63/888853063.db2.gz VMOFLRQFTWKEAX-LBPRGKRZSA-N 2 2 281.360 -0.097 20 0 CBADLP CSC[C@H](O)C[NH2+][C@@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC001336781718 888878021 /nfs/dbraw/zinc/87/80/21/888878021.db2.gz VFKXAMAHZGMNIJ-TUAOUCFPSA-N 2 2 261.435 -0.066 20 0 CBADLP CSC[C@H](O)C[NH2+][C@@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC001336781718 888878027 /nfs/dbraw/zinc/87/80/27/888878027.db2.gz VFKXAMAHZGMNIJ-TUAOUCFPSA-N 2 2 261.435 -0.066 20 0 CBADLP C[C@H]([NH3+])CCNC(=O)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC001336964475 888936393 /nfs/dbraw/zinc/93/63/93/888936393.db2.gz GYAAAWQVLTVSRT-NSHDSACASA-N 2 2 293.371 -0.100 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)NC[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001448430417 913298218 /nfs/dbraw/zinc/29/82/18/913298218.db2.gz BTXLVRNOWDSTHF-XYYAHUGASA-N 2 2 292.383 -0.361 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)NC[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001448430417 913298227 /nfs/dbraw/zinc/29/82/27/913298227.db2.gz BTXLVRNOWDSTHF-XYYAHUGASA-N 2 2 292.383 -0.361 20 0 CBADLP CC1(C)CN(c2cc[nH+]c(N)n2)CC[N@@H+]1CCO ZINC001337944461 889100838 /nfs/dbraw/zinc/10/08/38/889100838.db2.gz AUDBTRRIHJZALY-UHFFFAOYSA-N 2 2 251.334 -0.048 20 0 CBADLP CC1(C)CN(c2cc[nH+]c(N)n2)CC[N@H+]1CCO ZINC001337944461 889100839 /nfs/dbraw/zinc/10/08/39/889100839.db2.gz AUDBTRRIHJZALY-UHFFFAOYSA-N 2 2 251.334 -0.048 20 0 CBADLP CNC(=O)C[NH2+]C[C@H](C1CC1)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001448596019 913327125 /nfs/dbraw/zinc/32/71/25/913327125.db2.gz OYBUHLVMMQLECA-LLVKDONJSA-N 2 2 293.371 -0.475 20 0 CBADLP C[C@H]1C[N@H+](CCN2CC[NH2+]CC[NH2+]CC2)CCO1 ZINC001339933495 889347084 /nfs/dbraw/zinc/34/70/84/889347084.db2.gz OWARRKRVEABZII-ZDUSSCGKSA-N 3 2 256.394 -0.798 20 0 CBADLP C[C@H]1Cn2nc(C(=O)N3CC[NH+](C)CC3)cc2C[NH2+]1 ZINC001340260580 889414878 /nfs/dbraw/zinc/41/48/78/889414878.db2.gz BZVVMCSONIBWKG-JTQLQIEISA-N 2 2 263.345 -0.238 20 0 CBADLP O=C(NCCn1cc[nH+]c1)[C@@H]1[NH2+]CC12CCOCC2 ZINC001340531493 889441692 /nfs/dbraw/zinc/44/16/92/889441692.db2.gz UXZUYAFQLHZPIP-NSHDSACASA-N 2 2 264.329 -0.232 20 0 CBADLP C[NH2+]C[C@@H](O)CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001340861002 889500885 /nfs/dbraw/zinc/50/08/85/889500885.db2.gz ATIVHDFFBTUBLY-GHMZBOCLSA-N 2 2 254.334 -0.127 20 0 CBADLP C[C@@H](CN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1)[NH2+]CC(N)=O ZINC001448700007 913353930 /nfs/dbraw/zinc/35/39/30/913353930.db2.gz OOUVNRYBPSSXKH-WDEREUQCSA-N 2 2 293.371 -0.633 20 0 CBADLP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001341056093 889537684 /nfs/dbraw/zinc/53/76/84/889537684.db2.gz GXWPTRMCFMDGJZ-CHWSQXEVSA-N 3 2 268.405 -0.086 20 0 CBADLP Cc1cccn2cc(CC(=O)NC[C@@H](O)C[NH3+])[nH+]c12 ZINC001341382044 889587430 /nfs/dbraw/zinc/58/74/30/889587430.db2.gz DMHMTWPSZCUTCK-NSHDSACASA-N 2 2 262.313 -0.379 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC001341660170 889642657 /nfs/dbraw/zinc/64/26/57/889642657.db2.gz ULMRVIQBHLSYQS-NWDGAFQWSA-N 2 2 293.371 -0.415 20 0 CBADLP C[NH2+]C1CC(C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)C1 ZINC001341677036 889646599 /nfs/dbraw/zinc/64/65/99/889646599.db2.gz IKWBILDYAOYVTK-UNXYVOJBSA-N 2 2 255.362 -0.179 20 0 CBADLP C[NH2+]C1CC(C(=O)NCC[N@H+]2CCO[C@@H](C)C2)C1 ZINC001341677036 889646607 /nfs/dbraw/zinc/64/66/07/889646607.db2.gz IKWBILDYAOYVTK-UNXYVOJBSA-N 2 2 255.362 -0.179 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)CN2CCSC2=O)CC1 ZINC001341690964 889649073 /nfs/dbraw/zinc/64/90/73/889649073.db2.gz RZLHPORFLMUZNG-UHFFFAOYSA-N 2 2 286.401 -0.306 20 0 CBADLP CCO[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C[NH3+] ZINC001342059489 889706216 /nfs/dbraw/zinc/70/62/16/889706216.db2.gz FKEVWYXHJAHEFT-NXEZZACHSA-N 2 2 252.318 -0.226 20 0 CBADLP C[C@@H]1C[NH2+]C[C@H]1NC(=O)/C=C\C[NH+]1CCOCC1 ZINC001342416886 889769758 /nfs/dbraw/zinc/76/97/58/889769758.db2.gz VKVQQIDXBWVVMM-JDEDCZITSA-N 2 2 253.346 -0.401 20 0 CBADLP CN1CCN(C(=O)c2c[nH+]ccc2N)CC[N@H+](C)CC1 ZINC001343026372 889857888 /nfs/dbraw/zinc/85/78/88/889857888.db2.gz SPSVGMRINDFNKN-UHFFFAOYSA-N 2 2 277.372 -0.186 20 0 CBADLP CN1CCN(C(=O)c2c[nH+]ccc2N)CC[N@@H+](C)CC1 ZINC001343026372 889857905 /nfs/dbraw/zinc/85/79/05/889857905.db2.gz SPSVGMRINDFNKN-UHFFFAOYSA-N 2 2 277.372 -0.186 20 0 CBADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)CNCC[NH3+] ZINC001343373001 889896317 /nfs/dbraw/zinc/89/63/17/889896317.db2.gz BIOWOJTZVMVCAZ-NSHDSACASA-N 2 2 267.377 -0.038 20 0 CBADLP O=C(NC[C@@H]1COCC[NH2+]1)[C@@H]1[NH2+]CCc2occc21 ZINC001344356179 890015222 /nfs/dbraw/zinc/01/52/22/890015222.db2.gz BGBSUCCUGBJGIM-BXKDBHETSA-N 2 2 265.313 -0.429 20 0 CBADLP C[C@@]1(C(=O)NCC[NH+]2CCC([NH3+])CC2)CCNC1=O ZINC001344708921 890055552 /nfs/dbraw/zinc/05/55/52/890055552.db2.gz RUBSRYQWWDTOLW-CYBMUJFWSA-N 2 2 268.361 -0.948 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)c2coc(CO)c2)CC1 ZINC001344707719 890056609 /nfs/dbraw/zinc/05/66/09/890056609.db2.gz HDYBWLBYRFITJA-UHFFFAOYSA-N 2 2 267.329 -0.075 20 0 CBADLP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)NCCn1cc[nH+]c1)C2 ZINC001345910444 890177319 /nfs/dbraw/zinc/17/73/19/890177319.db2.gz AGNCZDHABIKWMQ-TUAOUCFPSA-N 2 2 291.355 -0.663 20 0 CBADLP C[C@H](NC(=O)[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001346228794 890243439 /nfs/dbraw/zinc/24/34/39/890243439.db2.gz MEZGFYYOSILBMF-YFKTTZPYSA-N 2 2 254.378 -0.526 20 0 CBADLP C[C@H](NC(=O)[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CN(C)CC[N@H+]1C ZINC001346228794 890243458 /nfs/dbraw/zinc/24/34/58/890243458.db2.gz MEZGFYYOSILBMF-YFKTTZPYSA-N 2 2 254.378 -0.526 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)NC[C@H](CO)[NH2+]CCF ZINC001448873733 913436702 /nfs/dbraw/zinc/43/67/02/913436702.db2.gz BREDNEWEPREXLH-SNVBAGLBSA-N 2 2 272.324 -0.611 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC001346525859 890314613 /nfs/dbraw/zinc/31/46/13/890314613.db2.gz IOTPOFZULKPGKL-KLPPZKSPSA-N 3 2 269.393 -0.554 20 0 CBADLP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)N1CC[N@H+](C)[C@H](C)C1 ZINC001346750585 890351039 /nfs/dbraw/zinc/35/10/39/890351039.db2.gz KTSVTBTTZVWTHX-JHJVBQTASA-N 2 2 266.389 -0.463 20 0 CBADLP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)N1CC[N@@H+](C)[C@H](C)C1 ZINC001346750585 890351051 /nfs/dbraw/zinc/35/10/51/890351051.db2.gz KTSVTBTTZVWTHX-JHJVBQTASA-N 2 2 266.389 -0.463 20 0 CBADLP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CCN2C[C@H]3C)CC[NH+]1C ZINC001346750585 890351064 /nfs/dbraw/zinc/35/10/64/890351064.db2.gz KTSVTBTTZVWTHX-JHJVBQTASA-N 2 2 266.389 -0.463 20 0 CBADLP C[C@@H]1CN(C(=O)[C@H]2C[N@H+]3CCN2C[C@H]3C)CC[NH+]1C ZINC001346750585 890351077 /nfs/dbraw/zinc/35/10/77/890351077.db2.gz KTSVTBTTZVWTHX-JHJVBQTASA-N 2 2 266.389 -0.463 20 0 CBADLP C[N@@H+]1CC[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc2ccon2)C1 ZINC001448959478 913470119 /nfs/dbraw/zinc/47/01/19/913470119.db2.gz VNNNTYLZXHRYHH-JQWIXIFHSA-N 2 2 282.344 -0.807 20 0 CBADLP C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc2ccon2)C1 ZINC001448959478 913470138 /nfs/dbraw/zinc/47/01/38/913470138.db2.gz VNNNTYLZXHRYHH-JQWIXIFHSA-N 2 2 282.344 -0.807 20 0 CBADLP COC[C@H](C)[NH2+][C@H](CO)CNC(=O)Cc1c[nH+]cn1C ZINC001448947980 913467432 /nfs/dbraw/zinc/46/74/32/913467432.db2.gz OUZQRTDWSMZZTD-QWRGUYRKSA-N 2 2 284.360 -0.936 20 0 CBADLP C[NH+]1CCN(C[C@H](O)C[NH2+]CCCCn2cc[nH+]c2)CC1 ZINC001348956742 890737699 /nfs/dbraw/zinc/73/76/99/890737699.db2.gz BMCLUXKWJZQMMV-OAHLLOKOSA-N 3 2 295.431 -0.139 20 0 CBADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)CC1([NH3+])CCC1 ZINC001349362487 890803817 /nfs/dbraw/zinc/80/38/17/890803817.db2.gz MLEAYHJZZGNLRP-SNVBAGLBSA-N 2 2 269.345 -0.379 20 0 CBADLP O=C(C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)N1CC[NH2+]CC1 ZINC001349398005 890805735 /nfs/dbraw/zinc/80/57/35/890805735.db2.gz BRWYDUMGRCZRNY-CQSZACIVSA-N 3 2 266.389 -0.506 20 0 CBADLP O=C(C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1)N1CC[NH2+]CC1 ZINC001349398005 890805722 /nfs/dbraw/zinc/80/57/22/890805722.db2.gz BRWYDUMGRCZRNY-CQSZACIVSA-N 3 2 266.389 -0.506 20 0 CBADLP C[C@H](C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1)[NH+]1CCN(C)CC1 ZINC001349417667 890809377 /nfs/dbraw/zinc/80/93/77/890809377.db2.gz IHMVSISANOEZPX-YNEHKIRRSA-N 2 2 268.405 -0.182 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001349823557 890899832 /nfs/dbraw/zinc/89/98/32/890899832.db2.gz GBHDGRFSAWSCMM-WDEREUQCSA-N 2 2 264.329 -0.462 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001349823557 890899845 /nfs/dbraw/zinc/89/98/45/890899845.db2.gz GBHDGRFSAWSCMM-WDEREUQCSA-N 2 2 264.329 -0.462 20 0 CBADLP [NH3+]CCCOCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001351283722 891126747 /nfs/dbraw/zinc/12/67/47/891126747.db2.gz LKVKGCGTRZIXAO-NSHDSACASA-N 2 2 266.345 -0.073 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]([NH3+])CC1CC1 ZINC001353064398 891352751 /nfs/dbraw/zinc/35/27/51/891352751.db2.gz SVLWWQVSKIWPQQ-ZYHUDNBSSA-N 2 2 255.362 -0.049 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]([NH3+])CC1CC1 ZINC001353064398 891352766 /nfs/dbraw/zinc/35/27/66/891352766.db2.gz SVLWWQVSKIWPQQ-ZYHUDNBSSA-N 2 2 255.362 -0.049 20 0 CBADLP CON(C)C(=O)CC[NH2+][C@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC001353315360 891402039 /nfs/dbraw/zinc/40/20/39/891402039.db2.gz JXMRNUKHLLFVEX-NEPJUHHUSA-N 2 2 272.393 -0.380 20 0 CBADLP CON(C)C(=O)CC[NH2+][C@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC001353315360 891402052 /nfs/dbraw/zinc/40/20/52/891402052.db2.gz JXMRNUKHLLFVEX-NEPJUHHUSA-N 2 2 272.393 -0.380 20 0 CBADLP [NH3+]CCCCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001353602881 891453311 /nfs/dbraw/zinc/45/33/11/891453311.db2.gz VTAPCOZIELFKCV-OLZOCXBDSA-N 2 2 285.388 -0.279 20 0 CBADLP C[NH2+]CCN(C(=O)C(=O)N1CCn2c[nH+]cc2C1)C(C)C ZINC001353942871 891489801 /nfs/dbraw/zinc/48/98/01/891489801.db2.gz JHHJLTJZOJTQBV-UHFFFAOYSA-N 2 2 293.371 -0.318 20 0 CBADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CC[C@H]1CNC(=O)C1 ZINC001354232693 891542256 /nfs/dbraw/zinc/54/22/56/891542256.db2.gz BIFCAZGHIQKWNY-UTUOFQBUSA-N 2 2 255.362 -0.131 20 0 CBADLP [NH3+][C@H](CC(=O)N1CCC[C@H]([NH2+]CCO)C1)C(F)F ZINC001354438755 891582078 /nfs/dbraw/zinc/58/20/78/891582078.db2.gz ZINSPGPWSWVZDD-DTWKUNHWSA-N 2 2 265.304 -0.458 20 0 CBADLP CN(C(=O)Cc1[nH]cc[nH+]1)C1(C[NH3+])CCOCC1 ZINC001355339154 891668205 /nfs/dbraw/zinc/66/82/05/891668205.db2.gz MTYDFTMOMMYLBK-UHFFFAOYSA-N 2 2 252.318 -0.082 20 0 CBADLP O=C(/C=C/C[NH+]1CCOCC1)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001355487815 891683944 /nfs/dbraw/zinc/68/39/44/891683944.db2.gz GIAPRKQHXLJUCW-HROLJSSSSA-N 2 2 265.357 -0.116 20 0 CBADLP COCCOC[C@H](O)C[NH2+][C@H]1Cc2c[nH+]cn2C1 ZINC001357209024 891858320 /nfs/dbraw/zinc/85/83/20/891858320.db2.gz FAEPMZDQFYHSFA-CMPLNLGQSA-N 2 2 255.318 -0.579 20 0 CBADLP CNC(=O)NCC[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC001357241288 891861823 /nfs/dbraw/zinc/86/18/23/891861823.db2.gz HPFGUGVSZKKXLD-AWEZNQCLSA-N 2 2 294.399 -0.002 20 0 CBADLP CNC(=O)NCC[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC001357241288 891861833 /nfs/dbraw/zinc/86/18/33/891861833.db2.gz HPFGUGVSZKKXLD-AWEZNQCLSA-N 2 2 294.399 -0.002 20 0 CBADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)CNCC[NH3+])cn1 ZINC001357350556 891873015 /nfs/dbraw/zinc/87/30/15/891873015.db2.gz GPWJRBHHFVWCGD-UHFFFAOYSA-N 2 2 288.355 -0.260 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC001357452206 891893219 /nfs/dbraw/zinc/89/32/19/891893219.db2.gz BHWQUMGHMOMLKQ-MWLCHTKSSA-N 2 2 252.318 -0.226 20 0 CBADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC001357452206 891893236 /nfs/dbraw/zinc/89/32/36/891893236.db2.gz BHWQUMGHMOMLKQ-MWLCHTKSSA-N 2 2 252.318 -0.226 20 0 CBADLP C[C@H]1C[C@@H]([NH3+])CN1C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001357583506 891916854 /nfs/dbraw/zinc/91/68/54/891916854.db2.gz VIQPNYZQIMBPBJ-CMPLNLGQSA-N 3 2 269.393 -0.459 20 0 CBADLP C[N@@H+]1CCN(C(=O)CC[NH+]2CC[C@H](F)C2)[C@@H](CO)C1 ZINC001363041153 893293679 /nfs/dbraw/zinc/29/36/79/893293679.db2.gz OEOYEFLEFRVOIU-NWDGAFQWSA-N 2 2 273.352 -0.445 20 0 CBADLP C[N@H+]1CCN(C(=O)CC[NH+]2CC[C@H](F)C2)[C@@H](CO)C1 ZINC001363041153 893293690 /nfs/dbraw/zinc/29/36/90/893293690.db2.gz OEOYEFLEFRVOIU-NWDGAFQWSA-N 2 2 273.352 -0.445 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@H](F)C2)[C@@H](CO)C1 ZINC001363041153 893293696 /nfs/dbraw/zinc/29/36/96/893293696.db2.gz OEOYEFLEFRVOIU-NWDGAFQWSA-N 2 2 273.352 -0.445 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@H](F)C2)[C@@H](CO)C1 ZINC001363041153 893293710 /nfs/dbraw/zinc/29/37/10/893293710.db2.gz OEOYEFLEFRVOIU-NWDGAFQWSA-N 2 2 273.352 -0.445 20 0 CBADLP C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](c3nn[nH]n3)C2)CC1 ZINC001363820769 894032766 /nfs/dbraw/zinc/03/27/66/894032766.db2.gz SFNOJDDAUIYNSL-SNVBAGLBSA-N 2 2 293.375 -0.801 20 0 CBADLP C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](c3nn[nH]n3)C2)CC1 ZINC001363820769 894032784 /nfs/dbraw/zinc/03/27/84/894032784.db2.gz SFNOJDDAUIYNSL-SNVBAGLBSA-N 2 2 293.375 -0.801 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCN1C[C@@H]2CCC[NH+]2C[C@@H]1CO ZINC001363824994 894039862 /nfs/dbraw/zinc/03/98/62/894039862.db2.gz KYWHDZAJFMVFGW-SOUVJXGZSA-N 2 2 283.416 -0.152 20 0 CBADLP C[C@H]1COCC[N@H+]1CCN1C[C@@H]2CCC[NH+]2C[C@@H]1CO ZINC001363824994 894039882 /nfs/dbraw/zinc/03/98/82/894039882.db2.gz KYWHDZAJFMVFGW-SOUVJXGZSA-N 2 2 283.416 -0.152 20 0 CBADLP C[C@H]1COCC[NH+]1CCN1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC001363824994 894039902 /nfs/dbraw/zinc/03/99/02/894039902.db2.gz KYWHDZAJFMVFGW-SOUVJXGZSA-N 2 2 283.416 -0.152 20 0 CBADLP C[C@H]1COCC[NH+]1CCN1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC001363824994 894039922 /nfs/dbraw/zinc/03/99/22/894039922.db2.gz KYWHDZAJFMVFGW-SOUVJXGZSA-N 2 2 283.416 -0.152 20 0 CBADLP OC[C@]12COCCN1CC[N@H+](CCCn1cc[nH+]c1)C2 ZINC001363843675 894052298 /nfs/dbraw/zinc/05/22/98/894052298.db2.gz GTNLFSKZINBCLU-CQSZACIVSA-N 2 2 280.372 -0.348 20 0 CBADLP OC[C@]12COCCN1CC[N@@H+](CCCn1cc[nH+]c1)C2 ZINC001363843675 894052316 /nfs/dbraw/zinc/05/23/16/894052316.db2.gz GTNLFSKZINBCLU-CQSZACIVSA-N 2 2 280.372 -0.348 20 0 CBADLP C[C@@H]1C[C@H](NS(=O)(=O)N2CC[NH+](C)CC2)CC[N@@H+]1C ZINC001363934471 894102911 /nfs/dbraw/zinc/10/29/11/894102911.db2.gz BKYBADDATCMSJU-VXGBXAGGSA-N 2 2 290.433 -0.449 20 0 CBADLP C[C@@H]1C[C@H](NS(=O)(=O)N2CC[NH+](C)CC2)CC[N@H+]1C ZINC001363934471 894102918 /nfs/dbraw/zinc/10/29/18/894102918.db2.gz BKYBADDATCMSJU-VXGBXAGGSA-N 2 2 290.433 -0.449 20 0 CBADLP OC1(C[NH+]2CCOCC2)CC[NH+](CC2=NOCC2)CC1 ZINC001364373977 894375039 /nfs/dbraw/zinc/37/50/39/894375039.db2.gz JWIQQMACGQCFAO-UHFFFAOYSA-N 2 2 283.372 -0.078 20 0 CBADLP C[C@H](CN1CC[N@H+](CCO)C[C@H]1C)C[NH+]1CCOCC1 ZINC001364415033 894399454 /nfs/dbraw/zinc/39/94/54/894399454.db2.gz MAIXOTMCFORSDY-LSDHHAIUSA-N 2 2 285.432 -0.047 20 0 CBADLP C[C@H](CN1CC[N@@H+](CCO)C[C@H]1C)C[NH+]1CCOCC1 ZINC001364415033 894399470 /nfs/dbraw/zinc/39/94/70/894399470.db2.gz MAIXOTMCFORSDY-LSDHHAIUSA-N 2 2 285.432 -0.047 20 0 CBADLP C[NH+](C)Cc1ccc(C(=O)NC[C@@]2(CO)COCC[NH2+]2)o1 ZINC001364470258 894444183 /nfs/dbraw/zinc/44/41/83/894444183.db2.gz AIRXHNCFQUCNOU-CQSZACIVSA-N 2 2 297.355 -0.578 20 0 CBADLP Cn1ccc(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)n1 ZINC001364595300 894513737 /nfs/dbraw/zinc/51/37/37/894513737.db2.gz PGEUNNQADKJQSY-OAHLLOKOSA-N 2 2 293.415 -0.084 20 0 CBADLP CC[N@H+](C)[C@H]1CCN(S(=O)(=O)N2CC[NH+](C)CC2)C1 ZINC001365752759 895116565 /nfs/dbraw/zinc/11/65/65/895116565.db2.gz BRRAHVUMCZGIGZ-LBPRGKRZSA-N 2 2 290.433 -0.495 20 0 CBADLP CC[N@@H+](C)[C@H]1CCN(S(=O)(=O)N2CC[NH+](C)CC2)C1 ZINC001365752759 895116574 /nfs/dbraw/zinc/11/65/74/895116574.db2.gz BRRAHVUMCZGIGZ-LBPRGKRZSA-N 2 2 290.433 -0.495 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+]1CC[C@H]1CN(C)C(=O)C[NH+]1CCCC1 ZINC001365801533 895122495 /nfs/dbraw/zinc/12/24/95/895122495.db2.gz HTVMFLGOFOOOOS-STQMWFEESA-N 2 2 296.415 -0.121 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+]1CC[C@H]1CN(C)C(=O)C[NH+]1CCCC1 ZINC001365801533 895122504 /nfs/dbraw/zinc/12/25/04/895122504.db2.gz HTVMFLGOFOOOOS-STQMWFEESA-N 2 2 296.415 -0.121 20 0 CBADLP CCCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+](C)C ZINC001365791182 895123622 /nfs/dbraw/zinc/12/36/22/895123622.db2.gz NYCMLCMCAQPPGB-CYBMUJFWSA-N 2 2 298.431 -0.003 20 0 CBADLP CCCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+](C)C ZINC001365791182 895123626 /nfs/dbraw/zinc/12/36/26/895123626.db2.gz NYCMLCMCAQPPGB-CYBMUJFWSA-N 2 2 298.431 -0.003 20 0 CBADLP CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+](C)CC ZINC001365802951 895126436 /nfs/dbraw/zinc/12/64/36/895126436.db2.gz KZCOWCNNGJNSDJ-CYBMUJFWSA-N 2 2 298.431 -0.003 20 0 CBADLP CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+](C)CC ZINC001365802951 895126438 /nfs/dbraw/zinc/12/64/38/895126438.db2.gz KZCOWCNNGJNSDJ-CYBMUJFWSA-N 2 2 298.431 -0.003 20 0 CBADLP CCNC(=O)C[NH+]1CC[C@@H]1CN(C)C(=O)CC[N@H+](C)CC ZINC001365802951 895126443 /nfs/dbraw/zinc/12/64/43/895126443.db2.gz KZCOWCNNGJNSDJ-CYBMUJFWSA-N 2 2 298.431 -0.003 20 0 CBADLP CCNC(=O)C[NH+]1CC[C@@H]1CN(C)C(=O)CC[N@@H+](C)CC ZINC001365802951 895126449 /nfs/dbraw/zinc/12/64/49/895126449.db2.gz KZCOWCNNGJNSDJ-CYBMUJFWSA-N 2 2 298.431 -0.003 20 0 CBADLP NC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001365850255 895131780 /nfs/dbraw/zinc/13/17/80/895131780.db2.gz NVGOPBNYDAVFOR-HAQNSBGRSA-N 2 2 293.371 -0.367 20 0 CBADLP CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001365973706 895156301 /nfs/dbraw/zinc/15/63/01/895156301.db2.gz QBCNVYTWCIGLIP-RYUDHWBXSA-N 2 2 282.388 -0.593 20 0 CBADLP CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001365973706 895156305 /nfs/dbraw/zinc/15/63/05/895156305.db2.gz QBCNVYTWCIGLIP-RYUDHWBXSA-N 2 2 282.388 -0.593 20 0 CBADLP CCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001365973706 895156307 /nfs/dbraw/zinc/15/63/07/895156307.db2.gz QBCNVYTWCIGLIP-RYUDHWBXSA-N 2 2 282.388 -0.593 20 0 CBADLP CCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001365973706 895156312 /nfs/dbraw/zinc/15/63/12/895156312.db2.gz QBCNVYTWCIGLIP-RYUDHWBXSA-N 2 2 282.388 -0.593 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001365980989 895162980 /nfs/dbraw/zinc/16/29/80/895162980.db2.gz SAJVXONBDUOQDS-NWDGAFQWSA-N 2 2 296.415 -0.204 20 0 CBADLP CNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001365980989 895162986 /nfs/dbraw/zinc/16/29/86/895162986.db2.gz SAJVXONBDUOQDS-NWDGAFQWSA-N 2 2 296.415 -0.204 20 0 CBADLP CCCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001366001762 895171877 /nfs/dbraw/zinc/17/18/77/895171877.db2.gz FKMHZCFUDNQMCQ-ZDUSSCGKSA-N 2 2 296.415 -0.201 20 0 CBADLP CCCNC(=O)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001366001762 895171884 /nfs/dbraw/zinc/17/18/84/895171884.db2.gz FKMHZCFUDNQMCQ-ZDUSSCGKSA-N 2 2 296.415 -0.201 20 0 CBADLP NC(=O)C[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001366002050 895171924 /nfs/dbraw/zinc/17/19/24/895171924.db2.gz FCRKOTZSYNUXCK-LBPRGKRZSA-N 2 2 282.388 -0.462 20 0 CBADLP NC(=O)C[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001366002050 895171929 /nfs/dbraw/zinc/17/19/29/895171929.db2.gz FCRKOTZSYNUXCK-LBPRGKRZSA-N 2 2 282.388 -0.462 20 0 CBADLP CNC(=O)C[NH2+][C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001366099250 895191611 /nfs/dbraw/zinc/19/16/11/895191611.db2.gz PFJBRJKBXVAGLA-NSHDSACASA-N 2 2 293.371 -0.711 20 0 CBADLP NC(=O)C[NH2+]C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001366209876 895223364 /nfs/dbraw/zinc/22/33/64/895223364.db2.gz VLUQVVKYPDWZJU-LLVKDONJSA-N 2 2 279.344 -0.803 20 0 CBADLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]Cc1cnn(C)c1 ZINC001366342269 895285959 /nfs/dbraw/zinc/28/59/59/895285959.db2.gz HMXAKSKOZNEHPK-NSHDSACASA-N 2 2 290.371 -0.009 20 0 CBADLP CC[C@H]([NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1)C(N)=O ZINC001366402515 895313548 /nfs/dbraw/zinc/31/35/48/895313548.db2.gz ALPQXNPEOOUQGV-JQWIXIFHSA-N 2 2 293.371 -0.346 20 0 CBADLP C[C@H](CCNC(=O)[C@H]1CCn2cc[nH+]c2C1)[NH2+]CC(N)=O ZINC001366481001 895331126 /nfs/dbraw/zinc/33/11/26/895331126.db2.gz UZIHULYHLGWVHG-MNOVXSKESA-N 2 2 293.371 -0.585 20 0 CBADLP C[C@H](CCNC(=O)Cc1c[nH]c[nH+]1)[NH2+]Cc1cn(C)nn1 ZINC001366488773 895332293 /nfs/dbraw/zinc/33/22/93/895332293.db2.gz WDZZYOBERQEMBB-SNVBAGLBSA-N 2 2 291.359 -0.235 20 0 CBADLP C[C@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+][C@@H]1CCNC1=O ZINC001366510873 895342054 /nfs/dbraw/zinc/34/20/54/895342054.db2.gz UCIVBTSMEYLXHE-GHMZBOCLSA-N 2 2 279.344 -0.744 20 0 CBADLP CNC(=O)C[N@H+](C)CCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001366541341 895372049 /nfs/dbraw/zinc/37/20/49/895372049.db2.gz PPEXGVDBROLEHH-LBPRGKRZSA-N 2 2 284.404 -0.345 20 0 CBADLP CNC(=O)C[N@@H+](C)CCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001366541341 895372061 /nfs/dbraw/zinc/37/20/61/895372061.db2.gz PPEXGVDBROLEHH-LBPRGKRZSA-N 2 2 284.404 -0.345 20 0 CBADLP CNC(=O)C[NH+](C)CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001366541341 895372072 /nfs/dbraw/zinc/37/20/72/895372072.db2.gz PPEXGVDBROLEHH-LBPRGKRZSA-N 2 2 284.404 -0.345 20 0 CBADLP CNC(=O)C[NH+](C)CCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001366541341 895372084 /nfs/dbraw/zinc/37/20/84/895372084.db2.gz PPEXGVDBROLEHH-LBPRGKRZSA-N 2 2 284.404 -0.345 20 0 CBADLP C[C@@H](C(N)=O)[N@H+](C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001366550652 895373630 /nfs/dbraw/zinc/37/36/30/895373630.db2.gz OSGPFZOTTWMACY-NSHDSACASA-N 2 2 282.388 -0.463 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001366550652 895373645 /nfs/dbraw/zinc/37/36/45/895373645.db2.gz OSGPFZOTTWMACY-NSHDSACASA-N 2 2 282.388 -0.463 20 0 CBADLP CC[C@@H](C(=O)NCC[N@H+](C)CC(=O)N1CCC1)[NH+](C)C ZINC001366564586 895384930 /nfs/dbraw/zinc/38/49/30/895384930.db2.gz WWLDCLSSNJGZHT-LBPRGKRZSA-N 2 2 284.404 -0.393 20 0 CBADLP CC[C@@H](C(=O)NCC[N@@H+](C)CC(=O)N1CCC1)[NH+](C)C ZINC001366564586 895384945 /nfs/dbraw/zinc/38/49/45/895384945.db2.gz WWLDCLSSNJGZHT-LBPRGKRZSA-N 2 2 284.404 -0.393 20 0 CBADLP C[N@H+](CCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21)CC(N)=O ZINC001366574052 895386809 /nfs/dbraw/zinc/38/68/09/895386809.db2.gz MTVUITVKCUTDEQ-NEPJUHHUSA-N 2 2 282.388 -0.463 20 0 CBADLP C[N@@H+](CCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21)CC(N)=O ZINC001366574052 895386825 /nfs/dbraw/zinc/38/68/25/895386825.db2.gz MTVUITVKCUTDEQ-NEPJUHHUSA-N 2 2 282.388 -0.463 20 0 CBADLP C[NH+](CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21)CC(N)=O ZINC001366574052 895386840 /nfs/dbraw/zinc/38/68/40/895386840.db2.gz MTVUITVKCUTDEQ-NEPJUHHUSA-N 2 2 282.388 -0.463 20 0 CBADLP C[NH+](CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21)CC(N)=O ZINC001366574052 895386854 /nfs/dbraw/zinc/38/68/54/895386854.db2.gz MTVUITVKCUTDEQ-NEPJUHHUSA-N 2 2 282.388 -0.463 20 0 CBADLP CCNC(=O)C[N@H+](CC)CCNC(=O)Cn1c[nH+]cc1C ZINC001366619870 895408834 /nfs/dbraw/zinc/40/88/34/895408834.db2.gz KJSHYTDPZIYZOJ-UHFFFAOYSA-N 2 2 295.387 -0.234 20 0 CBADLP CCNC(=O)C[N@@H+](CC)CCNC(=O)Cn1c[nH+]cc1C ZINC001366619870 895408841 /nfs/dbraw/zinc/40/88/41/895408841.db2.gz KJSHYTDPZIYZOJ-UHFFFAOYSA-N 2 2 295.387 -0.234 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001366674844 895425274 /nfs/dbraw/zinc/42/52/74/895425274.db2.gz IQDNVCJOJXZJHT-STQMWFEESA-N 2 2 296.415 -0.203 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001366700093 895433431 /nfs/dbraw/zinc/43/34/31/895433431.db2.gz UXOUDPDAPBUURX-JQWIXIFHSA-N 2 2 291.355 -0.721 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001366700093 895433443 /nfs/dbraw/zinc/43/34/43/895433443.db2.gz UXOUDPDAPBUURX-JQWIXIFHSA-N 2 2 291.355 -0.721 20 0 CBADLP CC[C@H](C(=O)NCC[N@H+](CC(=O)NC)C1CC1)[NH+](C)C ZINC001366755277 895447637 /nfs/dbraw/zinc/44/76/37/895447637.db2.gz CDODQUJNJDBJCS-GFCCVEGCSA-N 2 2 284.404 -0.347 20 0 CBADLP CC[C@H](C(=O)NCC[N@@H+](CC(=O)NC)C1CC1)[NH+](C)C ZINC001366755277 895447645 /nfs/dbraw/zinc/44/76/45/895447645.db2.gz CDODQUJNJDBJCS-GFCCVEGCSA-N 2 2 284.404 -0.347 20 0 CBADLP CC(C)[C@H](C(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1)[NH+](C)C ZINC001366900939 895482228 /nfs/dbraw/zinc/48/22/28/895482228.db2.gz ITZSAUGBHQMMCH-WCQYABFASA-N 2 2 284.404 -0.362 20 0 CBADLP CC(C)[C@H](C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1)[NH+](C)C ZINC001366900939 895482234 /nfs/dbraw/zinc/48/22/34/895482234.db2.gz ITZSAUGBHQMMCH-WCQYABFASA-N 2 2 284.404 -0.362 20 0 CBADLP COC[C@H](O)C[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001366910322 895483779 /nfs/dbraw/zinc/48/37/79/895483779.db2.gz CMQZELKXVPDTST-QWHCGFSZSA-N 2 2 296.371 -0.529 20 0 CBADLP COC[C@H](O)C[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001366910322 895483785 /nfs/dbraw/zinc/48/37/85/895483785.db2.gz CMQZELKXVPDTST-QWHCGFSZSA-N 2 2 296.371 -0.529 20 0 CBADLP COC[C@@H](O)C[NH+]1CC(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001366943922 895499251 /nfs/dbraw/zinc/49/92/51/895499251.db2.gz JNRDVGJTXWGMGB-AWEZNQCLSA-N 2 2 299.415 -0.474 20 0 CBADLP COC[C@H](O)C[NH+]1CC(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001366980586 895513216 /nfs/dbraw/zinc/51/32/16/895513216.db2.gz WHNJVIBVAPWLCY-GFCCVEGCSA-N 2 2 282.344 -0.993 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CC(CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001366983445 895517728 /nfs/dbraw/zinc/51/77/28/895517728.db2.gz GXTHPEQUFPXVSC-LBPRGKRZSA-N 2 2 296.415 -0.360 20 0 CBADLP CCNC(=O)C[NH+]1CC(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001366982275 895518101 /nfs/dbraw/zinc/51/81/01/895518101.db2.gz ATUFOYWBZJOEJL-GFCCVEGCSA-N 2 2 296.415 -0.488 20 0 CBADLP CCNC(=O)C[NH+]1CC(CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001366982275 895518108 /nfs/dbraw/zinc/51/81/08/895518108.db2.gz ATUFOYWBZJOEJL-GFCCVEGCSA-N 2 2 296.415 -0.488 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+](C)C(C)C ZINC001366999012 895522395 /nfs/dbraw/zinc/52/23/95/895522395.db2.gz GSAFODAJQUTVJV-AVGNSLFASA-N 2 2 296.415 -0.124 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+](C)C(C)C ZINC001366999012 895522402 /nfs/dbraw/zinc/52/24/02/895522402.db2.gz GSAFODAJQUTVJV-AVGNSLFASA-N 2 2 296.415 -0.124 20 0 CBADLP CC[C@@H](C(N)=O)[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@H+](C)C(C)C ZINC001366999012 895522411 /nfs/dbraw/zinc/52/24/11/895522411.db2.gz GSAFODAJQUTVJV-AVGNSLFASA-N 2 2 296.415 -0.124 20 0 CBADLP CC[C@@H](C(N)=O)[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+](C)C(C)C ZINC001366999012 895522420 /nfs/dbraw/zinc/52/24/20/895522420.db2.gz GSAFODAJQUTVJV-AVGNSLFASA-N 2 2 296.415 -0.124 20 0 CBADLP CN(C)C(=O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+](C)C ZINC001366995615 895522615 /nfs/dbraw/zinc/52/26/15/895522615.db2.gz DOHZVUOCLBCRQH-STQMWFEESA-N 2 2 296.415 -0.299 20 0 CBADLP CN(C)C(=O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+](C)C ZINC001366995615 895522620 /nfs/dbraw/zinc/52/26/20/895522620.db2.gz DOHZVUOCLBCRQH-STQMWFEESA-N 2 2 296.415 -0.299 20 0 CBADLP CC[C@H](C(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)C)C1)[NH+](C)C ZINC001367038883 895543997 /nfs/dbraw/zinc/54/39/97/895543997.db2.gz KYERIAUQMSALJY-VXGBXAGGSA-N 2 2 284.404 -0.395 20 0 CBADLP CC[C@H](C(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)C)C1)[NH+](C)C ZINC001367038883 895544003 /nfs/dbraw/zinc/54/40/03/895544003.db2.gz KYERIAUQMSALJY-VXGBXAGGSA-N 2 2 284.404 -0.395 20 0 CBADLP CC[C@@H](CNC(=O)CCn1cc[nH+]c1)[NH2+][C@@H](C)C(N)=O ZINC001367114899 895565121 /nfs/dbraw/zinc/56/51/21/895565121.db2.gz KTCPRJLNCONSRU-QWRGUYRKSA-N 2 2 281.360 -0.369 20 0 CBADLP CNC(=O)C[NH2+]C[C@H](C)CNC(=O)CCc1[nH+]ccn1C ZINC001367259226 895598386 /nfs/dbraw/zinc/59/83/86/895598386.db2.gz AWVKHARDLHPKHM-NSHDSACASA-N 2 2 295.387 -0.559 20 0 CBADLP COc1cc[nH+]cc1CC(=O)NC[C@@H](C)C[NH2+]CC(N)=O ZINC001367260862 895600250 /nfs/dbraw/zinc/60/02/50/895600250.db2.gz LROFMQVCFNPWTJ-JTQLQIEISA-N 2 2 294.355 -0.540 20 0 CBADLP C[C@H](C[NH2+]CC(=O)NC1CC1)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001367391158 895628542 /nfs/dbraw/zinc/62/85/42/895628542.db2.gz XYAGKQHTXLLDEK-SNVBAGLBSA-N 2 2 293.371 -0.333 20 0 CBADLP CC(C)[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@H](C)C(N)=O ZINC001367488165 895642481 /nfs/dbraw/zinc/64/24/81/895642481.db2.gz WWMUTLAJUGAXCL-MWLCHTKSSA-N 2 2 281.360 -0.444 20 0 CBADLP CCNC(=O)C[N@H+](C)CCN(C)C(=O)Cn1c[nH+]cc1C ZINC001367526147 895654377 /nfs/dbraw/zinc/65/43/77/895654377.db2.gz VXLMUFPJKVGALV-UHFFFAOYSA-N 2 2 295.387 -0.282 20 0 CBADLP CCNC(=O)C[N@@H+](C)CCN(C)C(=O)Cn1c[nH+]cc1C ZINC001367526147 895654387 /nfs/dbraw/zinc/65/43/87/895654387.db2.gz VXLMUFPJKVGALV-UHFFFAOYSA-N 2 2 295.387 -0.282 20 0 CBADLP CCNC(=O)C[N@H+](C)CCN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001367545296 895657899 /nfs/dbraw/zinc/65/78/99/895657899.db2.gz ITBORVRLXKGWQD-CYBMUJFWSA-N 2 2 298.431 -0.146 20 0 CBADLP CCNC(=O)C[N@@H+](C)CCN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001367545296 895657908 /nfs/dbraw/zinc/65/79/08/895657908.db2.gz ITBORVRLXKGWQD-CYBMUJFWSA-N 2 2 298.431 -0.146 20 0 CBADLP CCNC(=O)C[NH+](C)CCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001367545296 895657914 /nfs/dbraw/zinc/65/79/14/895657914.db2.gz ITBORVRLXKGWQD-CYBMUJFWSA-N 2 2 298.431 -0.146 20 0 CBADLP CCNC(=O)C[NH+](C)CCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001367545296 895657924 /nfs/dbraw/zinc/65/79/24/895657924.db2.gz ITBORVRLXKGWQD-CYBMUJFWSA-N 2 2 298.431 -0.146 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+](C)CCN(C)C(=O)Cn1cc[nH+]c1C ZINC001367549176 895660684 /nfs/dbraw/zinc/66/06/84/895660684.db2.gz BYULJVALKKYEOD-LBPRGKRZSA-N 2 2 295.387 -0.154 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)Cn1cc[nH+]c1C ZINC001367549176 895660693 /nfs/dbraw/zinc/66/06/93/895660693.db2.gz BYULJVALKKYEOD-LBPRGKRZSA-N 2 2 295.387 -0.154 20 0 CBADLP CC[C@H](C(N)=O)[N@H+](C)CCN(C)C(=O)Cn1cc[nH+]c1C ZINC001367549173 895663154 /nfs/dbraw/zinc/66/31/54/895663154.db2.gz BYULJVALKKYEOD-GFCCVEGCSA-N 2 2 295.387 -0.154 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)Cn1cc[nH+]c1C ZINC001367549173 895663160 /nfs/dbraw/zinc/66/31/60/895663160.db2.gz BYULJVALKKYEOD-GFCCVEGCSA-N 2 2 295.387 -0.154 20 0 CBADLP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1cnon1 ZINC001367595090 895689918 /nfs/dbraw/zinc/68/99/18/895689918.db2.gz UIACSJBDPRSUER-NWDGAFQWSA-N 2 2 297.359 -0.879 20 0 CBADLP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1cnon1 ZINC001367595090 895689933 /nfs/dbraw/zinc/68/99/33/895689933.db2.gz UIACSJBDPRSUER-NWDGAFQWSA-N 2 2 297.359 -0.879 20 0 CBADLP Cc1nocc1C[NH2+]C[C@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001367624545 895708908 /nfs/dbraw/zinc/70/89/08/895708908.db2.gz AYLOHMZNXBRXIL-LBPRGKRZSA-N 2 2 293.327 -0.554 20 0 CBADLP CO[C@H](C)C[NH2+]C[C@H](O)CNC(=O)Cc1c[nH+]cn1C ZINC001367625209 895712696 /nfs/dbraw/zinc/71/26/96/895712696.db2.gz QCOBUWQIVDEAAG-PWSUYJOCSA-N 2 2 284.360 -0.936 20 0 CBADLP C[C@H](CC[NH2+][C@H]1CCNC1=O)NC(=O)Cc1[nH]cc[nH+]1 ZINC001367633911 895717261 /nfs/dbraw/zinc/71/72/61/895717261.db2.gz FRIFZBHDFXTPQO-ZJUUUORDSA-N 2 2 279.344 -0.675 20 0 CBADLP CC[C@@H]([NH2+]CC[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1)C(N)=O ZINC001367633575 895718674 /nfs/dbraw/zinc/71/86/74/895718674.db2.gz DLWATNXCLGPOGS-NXEZZACHSA-N 2 2 281.360 -0.300 20 0 CBADLP CC[C@@H]([NH2+]CCN(CC)C(=O)Cc1[nH]cc[nH+]1)C(N)=O ZINC001367659845 895727764 /nfs/dbraw/zinc/72/77/64/895727764.db2.gz QIAXEXHKZDRZHA-SNVBAGLBSA-N 2 2 281.360 -0.346 20 0 CBADLP COC[C@@H](O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001367736950 895780227 /nfs/dbraw/zinc/78/02/27/895780227.db2.gz GYIASZAKMZBYIE-NNYUYHANSA-N 2 2 296.371 -0.385 20 0 CBADLP COC[C@@H](O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001367736950 895780243 /nfs/dbraw/zinc/78/02/43/895780243.db2.gz GYIASZAKMZBYIE-NNYUYHANSA-N 2 2 296.371 -0.385 20 0 CBADLP C[C@@H](C[N@H+](C)CCO)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001367815632 895818910 /nfs/dbraw/zinc/81/89/10/895818910.db2.gz RRWMIHGGPLNOAZ-RYUDHWBXSA-N 2 2 280.372 -0.126 20 0 CBADLP C[C@@H](C[N@@H+](C)CCO)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001367815632 895818922 /nfs/dbraw/zinc/81/89/22/895818922.db2.gz RRWMIHGGPLNOAZ-RYUDHWBXSA-N 2 2 280.372 -0.126 20 0 CBADLP C[C@H](C[N@H+](C)[C@H](C)C(=O)N(C)C)NC(=O)Cn1cc[nH+]c1 ZINC001367871932 895839331 /nfs/dbraw/zinc/83/93/31/895839331.db2.gz UTNNHONDGOFSJX-VXGBXAGGSA-N 2 2 295.387 -0.204 20 0 CBADLP C[C@H](C[N@@H+](C)[C@H](C)C(=O)N(C)C)NC(=O)Cn1cc[nH+]c1 ZINC001367871932 895839347 /nfs/dbraw/zinc/83/93/47/895839347.db2.gz UTNNHONDGOFSJX-VXGBXAGGSA-N 2 2 295.387 -0.204 20 0 CBADLP COC[C@@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001367950538 895863812 /nfs/dbraw/zinc/86/38/12/895863812.db2.gz JHVINGRVJIVQQV-OLZOCXBDSA-N 2 2 296.371 -0.611 20 0 CBADLP COC[C@@H](O)C[N@H+]1CC[C@@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001367950538 895863830 /nfs/dbraw/zinc/86/38/30/895863830.db2.gz JHVINGRVJIVQQV-OLZOCXBDSA-N 2 2 296.371 -0.611 20 0 CBADLP COC[C@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001367950532 895865784 /nfs/dbraw/zinc/86/57/84/895865784.db2.gz JHVINGRVJIVQQV-CHWSQXEVSA-N 2 2 296.371 -0.611 20 0 CBADLP COC[C@H](O)C[N@H+]1CC[C@@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001367950532 895865792 /nfs/dbraw/zinc/86/57/92/895865792.db2.gz JHVINGRVJIVQQV-CHWSQXEVSA-N 2 2 296.371 -0.611 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001367962357 895867395 /nfs/dbraw/zinc/86/73/95/895867395.db2.gz RHYJJFZYHNRUPP-VXGBXAGGSA-N 2 2 284.404 -0.347 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+]1CC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001367962357 895867413 /nfs/dbraw/zinc/86/74/13/895867413.db2.gz RHYJJFZYHNRUPP-VXGBXAGGSA-N 2 2 284.404 -0.347 20 0 CBADLP CN(C(=O)C[N@@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)C)C1CC1 ZINC001367961819 895869813 /nfs/dbraw/zinc/86/98/13/895869813.db2.gz FUJOPYFWWFJIPN-CYBMUJFWSA-N 2 2 296.415 -0.251 20 0 CBADLP CN(C(=O)C[N@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)C)C1CC1 ZINC001367961819 895869824 /nfs/dbraw/zinc/86/98/24/895869824.db2.gz FUJOPYFWWFJIPN-CYBMUJFWSA-N 2 2 296.415 -0.251 20 0 CBADLP COC[C@@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001367988066 895882132 /nfs/dbraw/zinc/88/21/32/895882132.db2.gz WKZDOLQDDIDNPM-YPMHNXCESA-N 2 2 296.371 -0.840 20 0 CBADLP COC[C@@H](O)C[N@H+]1CC[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001367988066 895882133 /nfs/dbraw/zinc/88/21/33/895882133.db2.gz WKZDOLQDDIDNPM-YPMHNXCESA-N 2 2 296.371 -0.840 20 0 CBADLP COC[C@H](O)C[NH+]1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001368078847 895902744 /nfs/dbraw/zinc/90/27/44/895902744.db2.gz KLCVIRKSOPXUDY-CHWSQXEVSA-N 2 2 285.388 -0.770 20 0 CBADLP COC[C@H](O)C[NH+]1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001368078847 895902756 /nfs/dbraw/zinc/90/27/56/895902756.db2.gz KLCVIRKSOPXUDY-CHWSQXEVSA-N 2 2 285.388 -0.770 20 0 CBADLP COC[C@@H](O)C[NH+]1CC(N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001368079414 895908446 /nfs/dbraw/zinc/90/84/46/895908446.db2.gz OKVYMEQZYRNZLT-AWEZNQCLSA-N 2 2 299.415 -0.522 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001368108345 895915874 /nfs/dbraw/zinc/91/58/74/895915874.db2.gz PAFIAIWWHGIVQX-PWSUYJOCSA-N 2 2 293.371 -0.333 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+]1CC[C@@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001368170619 895929674 /nfs/dbraw/zinc/92/96/74/895929674.db2.gz MKOLVBQOIJPYFQ-IUODEOHRSA-N 2 2 296.415 -0.073 20 0 CBADLP CC[C@H](C(N)=O)[N@H+]1CC[C@@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001368170619 895929685 /nfs/dbraw/zinc/92/96/85/895929685.db2.gz MKOLVBQOIJPYFQ-IUODEOHRSA-N 2 2 296.415 -0.073 20 0 CBADLP O=C(NCC1(O)C[NH+](CCCF)C1)C12CC[NH+](CC1)C2 ZINC001368318200 895980121 /nfs/dbraw/zinc/98/01/21/895980121.db2.gz CIXIAXICEJNFQA-UHFFFAOYSA-N 2 2 285.363 -0.395 20 0 CBADLP CNC(=O)C[NH2+]C1(CNC(=O)Cc2[nH]cc[nH+]2)CCC1 ZINC001368487801 896017895 /nfs/dbraw/zinc/01/78/95/896017895.db2.gz KJSOCSPAJCFSOF-UHFFFAOYSA-N 2 2 279.344 -0.673 20 0 CBADLP C[C@@H](O)C[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001368519491 896025856 /nfs/dbraw/zinc/02/58/56/896025856.db2.gz SYCQEQYJJNXSOJ-NEPJUHHUSA-N 2 2 282.344 -0.919 20 0 CBADLP NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001368541842 896033075 /nfs/dbraw/zinc/03/30/75/896033075.db2.gz NVGOPBNYDAVFOR-TXEJJXNPSA-N 2 2 293.371 -0.367 20 0 CBADLP CNC(=O)C[NH2+][C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC001368662298 896055260 /nfs/dbraw/zinc/05/52/60/896055260.db2.gz QPPPMTVEEDGSDJ-JQWIXIFHSA-N 2 2 293.371 -0.855 20 0 CBADLP C[C@@H]([NH2+][C@@H](C)CCNC(=O)CCc1[nH+]ccn1C)C(N)=O ZINC001368723127 896065461 /nfs/dbraw/zinc/06/54/61/896065461.db2.gz BGFDFZBYRZNCSN-WDEREUQCSA-N 2 2 295.387 -0.289 20 0 CBADLP C[C@@H](NC(=O)c1cc(C[NH+](C)C)on1)[C@H](C)[NH2+]CC(N)=O ZINC001368860959 896101049 /nfs/dbraw/zinc/10/10/49/896101049.db2.gz HYDSOXNTOBXFDH-DTWKUNHWSA-N 2 2 297.359 -0.682 20 0 CBADLP CNC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001368896848 896107093 /nfs/dbraw/zinc/10/70/93/896107093.db2.gz MDYDPMWPPDTHHX-NXEZZACHSA-N 2 2 281.360 -0.809 20 0 CBADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[N@H+](C)[C@@H]1CCN(C)C1=O ZINC001369013137 896136069 /nfs/dbraw/zinc/13/60/69/896136069.db2.gz RNMXFCBITKIVQN-VXGBXAGGSA-N 2 2 293.371 -0.450 20 0 CBADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC001369013137 896136078 /nfs/dbraw/zinc/13/60/78/896136078.db2.gz RNMXFCBITKIVQN-VXGBXAGGSA-N 2 2 293.371 -0.450 20 0 CBADLP CC[NH+]1CC(CCO)(NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001369035492 896141885 /nfs/dbraw/zinc/14/18/85/896141885.db2.gz QLMDKFIYLXDWCI-CYBMUJFWSA-N 2 2 299.415 -0.472 20 0 CBADLP C[C@H](NC(=O)CC1CC[NH+](C)CC1)C1C[NH+](CC(N)=O)C1 ZINC001369084837 896149342 /nfs/dbraw/zinc/14/93/42/896149342.db2.gz AQTZCOIVILYDKA-NSHDSACASA-N 2 2 296.415 -0.360 20 0 CBADLP C[C@@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)[NH2+][C@@H]1CCN(C)C1=O ZINC001369277172 896184335 /nfs/dbraw/zinc/18/43/35/896184335.db2.gz FCYKEULQCGZOFU-CMPLNLGQSA-N 2 2 293.371 -0.381 20 0 CBADLP C[C@@H](CN(C)C(=O)Cc1c[nH+]cn1C)[NH2+][C@H]1CCNC1=O ZINC001369295958 896190258 /nfs/dbraw/zinc/19/02/58/896190258.db2.gz WWCYSKDTXAAPCW-JQWIXIFHSA-N 2 2 293.371 -0.712 20 0 CBADLP CCC[NH2+][C@H](CO)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001369338941 896224217 /nfs/dbraw/zinc/22/42/17/896224217.db2.gz NPORPKQGJFBVOY-RYUDHWBXSA-N 2 2 280.372 -0.078 20 0 CBADLP CC[C@H](C(=O)NC[C@H](CO)[NH2+]Cc1cc(C)on1)[NH+](C)C ZINC001369375322 896245813 /nfs/dbraw/zinc/24/58/13/896245813.db2.gz BPODOGMWHHEKHR-CHWSQXEVSA-N 2 2 298.387 -0.110 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H](CO)[NH2+]CC1CCOCC1 ZINC001369377129 896248930 /nfs/dbraw/zinc/24/89/30/896248930.db2.gz VOYGZLGPMUPJHH-LBPRGKRZSA-N 2 2 296.371 -0.555 20 0 CBADLP CO[C@H](C)C[NH2+]C[C@@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001369486436 896290552 /nfs/dbraw/zinc/29/05/52/896290552.db2.gz SYTUQHNQKGAKLL-GHMZBOCLSA-N 2 2 284.360 -0.604 20 0 CBADLP C[C@H](O)C[N@H+](C)C[C@H](O)CN(C)C(=O)CCn1cc[nH+]c1 ZINC001369501852 896299375 /nfs/dbraw/zinc/29/93/75/896299375.db2.gz JITDMPFOPSTBQX-STQMWFEESA-N 2 2 298.387 -0.595 20 0 CBADLP C[C@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)CCn1cc[nH+]c1 ZINC001369501852 896299387 /nfs/dbraw/zinc/29/93/87/896299387.db2.gz JITDMPFOPSTBQX-STQMWFEESA-N 2 2 298.387 -0.595 20 0 CBADLP C[C@H](O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)CCn1cc[nH+]c1 ZINC001369501846 896303254 /nfs/dbraw/zinc/30/32/54/896303254.db2.gz JITDMPFOPSTBQX-QWHCGFSZSA-N 2 2 298.387 -0.595 20 0 CBADLP C[C@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)CCn1cc[nH+]c1 ZINC001369501846 896303267 /nfs/dbraw/zinc/30/32/67/896303267.db2.gz JITDMPFOPSTBQX-QWHCGFSZSA-N 2 2 298.387 -0.595 20 0 CBADLP C[NH+](C)CC1(C(=O)N[C@@H]2CCC[N@H+](CC(N)=O)C2)CC1 ZINC001369844072 896353084 /nfs/dbraw/zinc/35/30/84/896353084.db2.gz OHJMWSYKLKYOMN-LLVKDONJSA-N 2 2 282.388 -0.606 20 0 CBADLP C[NH+](C)CC1(C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)C2)CC1 ZINC001369844072 896353101 /nfs/dbraw/zinc/35/31/01/896353101.db2.gz OHJMWSYKLKYOMN-LLVKDONJSA-N 2 2 282.388 -0.606 20 0 CBADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)N(C)C(=O)CC[NH+](C)C ZINC001369873354 896357174 /nfs/dbraw/zinc/35/71/74/896357174.db2.gz DVPBSZDRQSJQFT-GFCCVEGCSA-N 2 2 295.387 -0.202 20 0 CBADLP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC(=O)NC)C1 ZINC001370049581 896392619 /nfs/dbraw/zinc/39/26/19/896392619.db2.gz RYNJFLNORCNALJ-NSHDSACASA-N 2 2 270.377 -0.735 20 0 CBADLP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CC(=O)NC)C1 ZINC001370049581 896392635 /nfs/dbraw/zinc/39/26/35/896392635.db2.gz RYNJFLNORCNALJ-NSHDSACASA-N 2 2 270.377 -0.735 20 0 CBADLP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](CC(=O)NC)C1 ZINC001370049581 896392652 /nfs/dbraw/zinc/39/26/52/896392652.db2.gz RYNJFLNORCNALJ-NSHDSACASA-N 2 2 270.377 -0.735 20 0 CBADLP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001370049581 896392669 /nfs/dbraw/zinc/39/26/69/896392669.db2.gz RYNJFLNORCNALJ-NSHDSACASA-N 2 2 270.377 -0.735 20 0 CBADLP CNC(=O)C[NH2+][C@H](CNC(=O)Cc1c[nH+]cn1C)C1CC1 ZINC001370259563 896414218 /nfs/dbraw/zinc/41/42/18/896414218.db2.gz UXPXTUDALUFNGG-GFCCVEGCSA-N 2 2 293.371 -0.807 20 0 CBADLP CCCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001370700629 896484206 /nfs/dbraw/zinc/48/42/06/896484206.db2.gz YQCFPBRLHXSMQI-PHIMTYICSA-N 2 2 293.371 -0.285 20 0 CBADLP CNC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001370901491 896516322 /nfs/dbraw/zinc/51/63/22/896516322.db2.gz NPBPFSPIGSKZPJ-ZDUSSCGKSA-N 2 2 296.415 -0.201 20 0 CBADLP CNC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001370901491 896516336 /nfs/dbraw/zinc/51/63/36/896516336.db2.gz NPBPFSPIGSKZPJ-ZDUSSCGKSA-N 2 2 296.415 -0.201 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NC[C@H](C)[NH2+]Cc1ncnn1C ZINC001371310648 896589104 /nfs/dbraw/zinc/58/91/04/896589104.db2.gz ZFUQKGFMLAABFC-JTQLQIEISA-N 2 2 291.359 -0.385 20 0 CBADLP CNC(=O)C[NH2+][C@@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC001371443798 896609582 /nfs/dbraw/zinc/60/95/82/896609582.db2.gz PECPGPGKZZDGGI-JTQLQIEISA-N 2 2 281.360 -0.807 20 0 CBADLP CC(C)NC(=O)C[NH2+][C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001371432608 896610274 /nfs/dbraw/zinc/61/02/74/896610274.db2.gz USZXTWFATPCNQI-LLVKDONJSA-N 2 2 295.387 -0.419 20 0 CBADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CC(=O)NCC1CC1 ZINC001371483059 896621010 /nfs/dbraw/zinc/62/10/10/896621010.db2.gz GZEFRYLSSXNGFA-LLVKDONJSA-N 2 2 293.371 -0.496 20 0 CBADLP CCCNC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001371535519 896634043 /nfs/dbraw/zinc/63/40/43/896634043.db2.gz NQEONRVBIHSYCD-NSHDSACASA-N 2 2 293.371 -0.331 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@@H](C)CCNC(=O)Cc1c[nH+]cn1C ZINC001371870696 896672833 /nfs/dbraw/zinc/67/28/33/896672833.db2.gz VEPYXIDNPRPHPN-QWRGUYRKSA-N 2 2 295.387 -0.419 20 0 CBADLP CNC(=O)C[NH2+][C@@H](C)CCNC(=O)Cc1c[nH+]cn1C ZINC001371865915 896673890 /nfs/dbraw/zinc/67/38/90/896673890.db2.gz DSUSPVXEFPLMST-JTQLQIEISA-N 2 2 281.360 -0.807 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NCC[N@@H+](C)[C@H]1CCCNC1=O ZINC001372046787 896716289 /nfs/dbraw/zinc/71/62/89/896716289.db2.gz YKUCYSUYLUVUFQ-LBPRGKRZSA-N 2 2 293.371 -0.482 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NCC[N@H+](C)[C@H]1CCCNC1=O ZINC001372046787 896716297 /nfs/dbraw/zinc/71/62/97/896716297.db2.gz YKUCYSUYLUVUFQ-LBPRGKRZSA-N 2 2 293.371 -0.482 20 0 CBADLP CNC(=O)C[N@H+](C)CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001372163800 896741182 /nfs/dbraw/zinc/74/11/82/896741182.db2.gz IMDLICXPAOKXOV-UHFFFAOYSA-N 2 2 284.404 -0.488 20 0 CBADLP CNC(=O)C[N@@H+](C)CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001372163800 896741185 /nfs/dbraw/zinc/74/11/85/896741185.db2.gz IMDLICXPAOKXOV-UHFFFAOYSA-N 2 2 284.404 -0.488 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NCC[N@@H+](C)[C@H]1CCCNC1=O ZINC001372225723 896753892 /nfs/dbraw/zinc/75/38/92/896753892.db2.gz UEMDMTFMVXUVGL-LBPRGKRZSA-N 2 2 293.371 -0.482 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NCC[N@H+](C)[C@H]1CCCNC1=O ZINC001372225723 896753902 /nfs/dbraw/zinc/75/39/02/896753902.db2.gz UEMDMTFMVXUVGL-LBPRGKRZSA-N 2 2 293.371 -0.482 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001372682556 896834878 /nfs/dbraw/zinc/83/48/78/896834878.db2.gz OLMYEUGUTONHOS-WDEREUQCSA-N 2 2 279.344 -0.805 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001372682556 896834891 /nfs/dbraw/zinc/83/48/91/896834891.db2.gz OLMYEUGUTONHOS-WDEREUQCSA-N 2 2 279.344 -0.805 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC[C@@H]1CC[N@H+](CCCO)C1 ZINC001372671341 896836211 /nfs/dbraw/zinc/83/62/11/896836211.db2.gz NXDDLYKJIZJZPP-LBPRGKRZSA-N 2 2 280.372 -0.217 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC[C@@H]1CC[N@@H+](CCCO)C1 ZINC001372671341 896836220 /nfs/dbraw/zinc/83/62/20/896836220.db2.gz NXDDLYKJIZJZPP-LBPRGKRZSA-N 2 2 280.372 -0.217 20 0 CBADLP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)NC(=O)Cn1cc[nH+]c1 ZINC001372809970 896874020 /nfs/dbraw/zinc/87/40/20/896874020.db2.gz FZBUXGQNCMYRAZ-VXGBXAGGSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)NC(=O)Cn1cc[nH+]c1 ZINC001372809970 896874030 /nfs/dbraw/zinc/87/40/30/896874030.db2.gz FZBUXGQNCMYRAZ-VXGBXAGGSA-N 2 2 293.371 -0.402 20 0 CBADLP C[N@@H+]1CCCC[C@H]1C(=O)NCC[NH+](CC(N)=O)C1CC1 ZINC001372828716 896878105 /nfs/dbraw/zinc/87/81/05/896878105.db2.gz AJFLBPUYAQXKCX-LBPRGKRZSA-N 2 2 282.388 -0.463 20 0 CBADLP C[N@H+]1CCCC[C@H]1C(=O)NCC[NH+](CC(N)=O)C1CC1 ZINC001372828716 896878117 /nfs/dbraw/zinc/87/81/17/896878117.db2.gz AJFLBPUYAQXKCX-LBPRGKRZSA-N 2 2 282.388 -0.463 20 0 CBADLP C[NH+]1CCCC[C@H]1C(=O)NCC[N@H+](CC(N)=O)C1CC1 ZINC001372828716 896878128 /nfs/dbraw/zinc/87/81/28/896878128.db2.gz AJFLBPUYAQXKCX-LBPRGKRZSA-N 2 2 282.388 -0.463 20 0 CBADLP C[NH+]1CCCC[C@H]1C(=O)NCC[N@@H+](CC(N)=O)C1CC1 ZINC001372828716 896878141 /nfs/dbraw/zinc/87/81/41/896878141.db2.gz AJFLBPUYAQXKCX-LBPRGKRZSA-N 2 2 282.388 -0.463 20 0 CBADLP CCCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001372979571 896921055 /nfs/dbraw/zinc/92/10/55/896921055.db2.gz HKAMTYBVFSGRPH-NSHDSACASA-N 2 2 295.387 -0.085 20 0 CBADLP COC[C@@H](O)C[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001373386018 896992534 /nfs/dbraw/zinc/99/25/34/896992534.db2.gz CMQZELKXVPDTST-OLZOCXBDSA-N 2 2 296.371 -0.529 20 0 CBADLP COC[C@@H](O)C[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001373386018 896992541 /nfs/dbraw/zinc/99/25/41/896992541.db2.gz CMQZELKXVPDTST-OLZOCXBDSA-N 2 2 296.371 -0.529 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001373395082 896995241 /nfs/dbraw/zinc/99/52/41/896995241.db2.gz GNSGUWUFUCKYPB-RYUDHWBXSA-N 2 2 296.415 -0.075 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001373395082 896995252 /nfs/dbraw/zinc/99/52/52/896995252.db2.gz GNSGUWUFUCKYPB-RYUDHWBXSA-N 2 2 296.415 -0.075 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001373395082 896995281 /nfs/dbraw/zinc/99/52/81/896995281.db2.gz GNSGUWUFUCKYPB-RYUDHWBXSA-N 2 2 296.415 -0.075 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001373395079 896996208 /nfs/dbraw/zinc/99/62/08/896996208.db2.gz GNSGUWUFUCKYPB-NEPJUHHUSA-N 2 2 296.415 -0.075 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CCC[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001373395079 896996213 /nfs/dbraw/zinc/99/62/13/896996213.db2.gz GNSGUWUFUCKYPB-NEPJUHHUSA-N 2 2 296.415 -0.075 20 0 CBADLP C[C@H](C(N)=O)[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001373395079 896996231 /nfs/dbraw/zinc/99/62/31/896996231.db2.gz GNSGUWUFUCKYPB-NEPJUHHUSA-N 2 2 296.415 -0.075 20 0 CBADLP COC[C@H](O)C[NH+]1CC(NC(=O)C[N@H+](C)C(C)C)C1 ZINC001373491147 897028594 /nfs/dbraw/zinc/02/85/94/897028594.db2.gz YIHIBPIWLAGQMA-GFCCVEGCSA-N 2 2 273.377 -0.866 20 0 CBADLP COC[C@H](O)C[NH+]1CC(NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001373491147 897028604 /nfs/dbraw/zinc/02/86/04/897028604.db2.gz YIHIBPIWLAGQMA-GFCCVEGCSA-N 2 2 273.377 -0.866 20 0 CBADLP CC1CC[NH+](CC(=O)NCC2C[NH+](CC(N)=O)C2)CC1 ZINC001373547567 897047446 /nfs/dbraw/zinc/04/74/46/897047446.db2.gz NSOSADVZUHDTCY-UHFFFAOYSA-N 2 2 282.388 -0.748 20 0 CBADLP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC(=O)NCC)C1 ZINC001373611891 897071865 /nfs/dbraw/zinc/07/18/65/897071865.db2.gz HVLRRLGJSGYQHZ-LBPRGKRZSA-N 2 2 284.404 -0.345 20 0 CBADLP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CC(=O)NCC)C1 ZINC001373611891 897071880 /nfs/dbraw/zinc/07/18/80/897071880.db2.gz HVLRRLGJSGYQHZ-LBPRGKRZSA-N 2 2 284.404 -0.345 20 0 CBADLP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](CC(=O)NCC)C1 ZINC001373611891 897071896 /nfs/dbraw/zinc/07/18/96/897071896.db2.gz HVLRRLGJSGYQHZ-LBPRGKRZSA-N 2 2 284.404 -0.345 20 0 CBADLP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC)C1 ZINC001373611891 897071911 /nfs/dbraw/zinc/07/19/11/897071911.db2.gz HVLRRLGJSGYQHZ-LBPRGKRZSA-N 2 2 284.404 -0.345 20 0 CBADLP CN(C(=O)C1([NH+](C)C)CCC1)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001373674560 897097902 /nfs/dbraw/zinc/09/79/02/897097902.db2.gz VSPAFHZNBUOOHN-LLVKDONJSA-N 2 2 282.388 -0.511 20 0 CBADLP CN(C(=O)C1([NH+](C)C)CCC1)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001373674560 897097913 /nfs/dbraw/zinc/09/79/13/897097913.db2.gz VSPAFHZNBUOOHN-LLVKDONJSA-N 2 2 282.388 -0.511 20 0 CBADLP CC[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@H](CC)C(N)=O ZINC001373813939 897127448 /nfs/dbraw/zinc/12/74/48/897127448.db2.gz YNYRJMMCCITNPF-NXEZZACHSA-N 2 2 281.360 -0.300 20 0 CBADLP CC[C@H](CNC(=O)CCc1c[nH+]cn1C)[NH2+][C@@H](C)C(N)=O ZINC001373823394 897129949 /nfs/dbraw/zinc/12/99/49/897129949.db2.gz WIZNDTJHRREUDF-WDEREUQCSA-N 2 2 295.387 -0.289 20 0 CBADLP CNC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001373922701 897136963 /nfs/dbraw/zinc/13/69/63/897136963.db2.gz HVNFMBSHOFEFOF-HAQNSBGRSA-N 2 2 293.371 -0.354 20 0 CBADLP C[C@H]([NH2+]C[C@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1)C(N)=O ZINC001373961267 897140354 /nfs/dbraw/zinc/14/03/54/897140354.db2.gz XWMKFLRJENAKKH-CMPLNLGQSA-N 2 2 293.371 -0.203 20 0 CBADLP C[C@H]([NH2+]C[C@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1)C(N)=O ZINC001373961267 897140360 /nfs/dbraw/zinc/14/03/60/897140360.db2.gz XWMKFLRJENAKKH-CMPLNLGQSA-N 2 2 293.371 -0.203 20 0 CBADLP C[C@H](CNC(=O)CCc1c[nH]c[nH+]1)C[NH2+][C@H]1CCNC1=O ZINC001374032931 897158845 /nfs/dbraw/zinc/15/88/45/897158845.db2.gz VCIVJSMCYPFGJB-JQWIXIFHSA-N 2 2 293.371 -0.427 20 0 CBADLP C[C@H](CNC(=O)CCc1c[nH+]c[nH]1)C[NH2+][C@H]1CCNC1=O ZINC001374032931 897158851 /nfs/dbraw/zinc/15/88/51/897158851.db2.gz VCIVJSMCYPFGJB-JQWIXIFHSA-N 2 2 293.371 -0.427 20 0 CBADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C[NH2+]Cc1cnn(C)n1 ZINC001374075257 897164192 /nfs/dbraw/zinc/16/41/92/897164192.db2.gz IFRDGCFZKXMODO-SNVBAGLBSA-N 2 2 291.359 -0.377 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]C[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001374112240 897170744 /nfs/dbraw/zinc/17/07/44/897170744.db2.gz AAZFHYPDUHRDOM-WDEREUQCSA-N 2 2 281.360 -0.641 20 0 CBADLP C[C@H](C[NH2+][C@H]1CCNC1=O)N(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001374233834 897193748 /nfs/dbraw/zinc/19/37/48/897193748.db2.gz PHFHRPMTXGRNLM-PWSUYJOCSA-N 2 2 293.371 -0.333 20 0 CBADLP C[C@H](C[NH2+][C@H]1CCNC1=O)N(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001374233834 897193755 /nfs/dbraw/zinc/19/37/55/897193755.db2.gz PHFHRPMTXGRNLM-PWSUYJOCSA-N 2 2 293.371 -0.333 20 0 CBADLP C[C@H](C[NH2+][C@@H]1CCCNC1=O)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001374302995 897207322 /nfs/dbraw/zinc/20/73/22/897207322.db2.gz NOCVYSRTAFERIM-GHMZBOCLSA-N 2 2 293.371 -0.333 20 0 CBADLP CC[C@H]([NH2+]C[C@@H](C)N(C)C(=O)Cc1[nH]c[nH+]c1C)C(N)=O ZINC001374313661 897211745 /nfs/dbraw/zinc/21/17/45/897211745.db2.gz HWZLGGKUZCTDKF-KOLCDFICSA-N 2 2 295.387 -0.039 20 0 CBADLP CC[C@H]([NH2+]C[C@H](C)N(C)C(=O)Cc1[nH]c[nH+]c1C)C(N)=O ZINC001374313663 897213538 /nfs/dbraw/zinc/21/35/38/897213538.db2.gz HWZLGGKUZCTDKF-ONGXEEELSA-N 2 2 295.387 -0.039 20 0 CBADLP O=C(NC[C@H](O)C[NH2+]CC1CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001374613901 897308748 /nfs/dbraw/zinc/30/87/48/897308748.db2.gz DLCJFGNJSGPHMR-IJLUTSLNSA-N 2 2 278.356 -0.010 20 0 CBADLP O=C(NC[C@H](O)C[NH2+]CC1CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001374613901 897308764 /nfs/dbraw/zinc/30/87/64/897308764.db2.gz DLCJFGNJSGPHMR-IJLUTSLNSA-N 2 2 278.356 -0.010 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]CC[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001374701583 897349928 /nfs/dbraw/zinc/34/99/28/897349928.db2.gz WWJJLDBSKWMUMC-GHMZBOCLSA-N 2 2 295.387 -0.039 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]CC[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001374701583 897349942 /nfs/dbraw/zinc/34/99/42/897349942.db2.gz WWJJLDBSKWMUMC-GHMZBOCLSA-N 2 2 295.387 -0.039 20 0 CBADLP CC[C@@H]([NH2+]CC[C@H](C)NC(=O)Cc1c[nH+]cn1C)C(N)=O ZINC001374710860 897354361 /nfs/dbraw/zinc/35/43/61/897354361.db2.gz ZNQIXTDUZKXPBJ-CMPLNLGQSA-N 2 2 295.387 -0.289 20 0 CBADLP CCC[N@H+](C)CC(=O)N1CC(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001374777622 897383673 /nfs/dbraw/zinc/38/36/73/897383673.db2.gz TZWDGCGXTBYMPW-UHFFFAOYSA-N 2 2 293.371 -0.379 20 0 CBADLP CCC[N@@H+](C)CC(=O)N1CC(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001374777622 897383691 /nfs/dbraw/zinc/38/36/91/897383691.db2.gz TZWDGCGXTBYMPW-UHFFFAOYSA-N 2 2 293.371 -0.379 20 0 CBADLP C[C@H](C[NH2+]CC(=O)NC1CC1)NC(=O)CCn1cc[nH+]c1 ZINC001374793898 897393705 /nfs/dbraw/zinc/39/37/05/897393705.db2.gz DDOQBMILQGQMOI-LLVKDONJSA-N 2 2 293.371 -0.354 20 0 CBADLP CCN1CC[C@H]([NH2+]C[C@H](C)NC(=O)Cn2cc[nH+]c2)C1=O ZINC001374984928 897446402 /nfs/dbraw/zinc/44/64/02/897446402.db2.gz ZXFNCIVBDBBXIK-RYUDHWBXSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@@H](C[N@H+](C)CC(N)=O)NC(=O)C12CCC[NH+]1CCC2 ZINC001375075639 897474083 /nfs/dbraw/zinc/47/40/83/897474083.db2.gz TVMIMQSZSRLYQT-NSHDSACASA-N 2 2 282.388 -0.463 20 0 CBADLP C[C@@H](C[N@@H+](C)CC(N)=O)NC(=O)C12CCC[NH+]1CCC2 ZINC001375075639 897474094 /nfs/dbraw/zinc/47/40/94/897474094.db2.gz TVMIMQSZSRLYQT-NSHDSACASA-N 2 2 282.388 -0.463 20 0 CBADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)CC(N)=O ZINC001375158296 897486360 /nfs/dbraw/zinc/48/63/60/897486360.db2.gz JOYDNIJZVFWAQW-RYUDHWBXSA-N 2 2 284.404 -0.217 20 0 CBADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)CC(N)=O ZINC001375158296 897486376 /nfs/dbraw/zinc/48/63/76/897486376.db2.gz JOYDNIJZVFWAQW-RYUDHWBXSA-N 2 2 284.404 -0.217 20 0 CBADLP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)CC(N)=O ZINC001375158296 897486342 /nfs/dbraw/zinc/48/63/42/897486342.db2.gz JOYDNIJZVFWAQW-RYUDHWBXSA-N 2 2 284.404 -0.217 20 0 CBADLP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)CC(N)=O ZINC001375158296 897486351 /nfs/dbraw/zinc/48/63/51/897486351.db2.gz JOYDNIJZVFWAQW-RYUDHWBXSA-N 2 2 284.404 -0.217 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@@H](C)C[N@H+](C)[C@H]1CCNC1=O ZINC001375153771 897488513 /nfs/dbraw/zinc/48/85/13/897488513.db2.gz LUFIKEOEVKCNPJ-JQWIXIFHSA-N 2 2 293.371 -0.483 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@@H](C)C[N@@H+](C)[C@H]1CCNC1=O ZINC001375153771 897488524 /nfs/dbraw/zinc/48/85/24/897488524.db2.gz LUFIKEOEVKCNPJ-JQWIXIFHSA-N 2 2 293.371 -0.483 20 0 CBADLP C[NH+](C)CCCC(=O)NC[C@@H]1CC[N@@H+]1CC(=O)N1CCC1 ZINC001375334443 897521317 /nfs/dbraw/zinc/52/13/17/897521317.db2.gz OCIRNMTZLUPYNF-ZDUSSCGKSA-N 2 2 296.415 -0.249 20 0 CBADLP C[NH+](C)CCCC(=O)NC[C@@H]1CC[N@H+]1CC(=O)N1CCC1 ZINC001375334443 897521326 /nfs/dbraw/zinc/52/13/26/897521326.db2.gz OCIRNMTZLUPYNF-ZDUSSCGKSA-N 2 2 296.415 -0.249 20 0 CBADLP CN(C[C@@H]1CC[N@@H+]1CC(=O)N1CCC1)C(=O)CC[NH+](C)C ZINC001375470910 897552866 /nfs/dbraw/zinc/55/28/66/897552866.db2.gz MFZIEXRBOMNJHH-ZDUSSCGKSA-N 2 2 296.415 -0.297 20 0 CBADLP CN(C[C@@H]1CC[N@H+]1CC(=O)N1CCC1)C(=O)CC[NH+](C)C ZINC001375470910 897552875 /nfs/dbraw/zinc/55/28/75/897552875.db2.gz MFZIEXRBOMNJHH-ZDUSSCGKSA-N 2 2 296.415 -0.297 20 0 CBADLP C[C@H]([NH2+]C1(CNC(=O)Cc2c[nH+]cn2C)CC1)C(N)=O ZINC001375521710 897558528 /nfs/dbraw/zinc/55/85/28/897558528.db2.gz NMVAUSLERNAFTO-VIFPVBQESA-N 2 2 279.344 -0.925 20 0 CBADLP NC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001375570418 897569790 /nfs/dbraw/zinc/56/97/90/897569790.db2.gz DASOVKKUHZOXIV-VHSXEESVSA-N 2 2 279.344 -0.688 20 0 CBADLP COC[C@H](O)C[NH+]1CC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001375683290 897590768 /nfs/dbraw/zinc/59/07/68/897590768.db2.gz CANOXGVLRZSFCU-ZIAGYGMSSA-N 2 2 299.415 -0.379 20 0 CBADLP COC[C@H](O)C[NH+]1CC(N(C)C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001375683290 897590783 /nfs/dbraw/zinc/59/07/83/897590783.db2.gz CANOXGVLRZSFCU-ZIAGYGMSSA-N 2 2 299.415 -0.379 20 0 CBADLP CC[N@H+](C)CCC(=O)N(C)C1C[NH+](CCn2cncn2)C1 ZINC001375719073 897593859 /nfs/dbraw/zinc/59/38/59/897593859.db2.gz IAXRNNAEKWWNET-UHFFFAOYSA-N 2 2 294.403 -0.238 20 0 CBADLP CC[N@@H+](C)CCC(=O)N(C)C1C[NH+](CCn2cncn2)C1 ZINC001375719073 897593874 /nfs/dbraw/zinc/59/38/74/897593874.db2.gz IAXRNNAEKWWNET-UHFFFAOYSA-N 2 2 294.403 -0.238 20 0 CBADLP CCC[N@H+](C)CC(=O)N(C)C1C[NH+](C[C@@H](O)COC)C1 ZINC001375721151 897596671 /nfs/dbraw/zinc/59/66/71/897596671.db2.gz ZJWATMRGXDRZHR-CYBMUJFWSA-N 2 2 287.404 -0.522 20 0 CBADLP CCC[N@@H+](C)CC(=O)N(C)C1C[NH+](C[C@@H](O)COC)C1 ZINC001375721151 897596684 /nfs/dbraw/zinc/59/66/84/897596684.db2.gz ZJWATMRGXDRZHR-CYBMUJFWSA-N 2 2 287.404 -0.522 20 0 CBADLP CO[C@H](C)C[N@@H+]1CC[C@](O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001376081139 897648677 /nfs/dbraw/zinc/64/86/77/897648677.db2.gz KRSRCSJQKLECCQ-RISCZKNCSA-N 2 2 296.371 -0.460 20 0 CBADLP CO[C@H](C)C[N@H+]1CC[C@](O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001376081139 897648684 /nfs/dbraw/zinc/64/86/84/897648684.db2.gz KRSRCSJQKLECCQ-RISCZKNCSA-N 2 2 296.371 -0.460 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@]1(O)CC[N@H+](CCCF)C1 ZINC001376123286 897661544 /nfs/dbraw/zinc/66/15/44/897661544.db2.gz SFJLCDISRSGBTF-CYBMUJFWSA-N 2 2 284.335 -0.204 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@]1(O)CC[N@@H+](CCCF)C1 ZINC001376123286 897661551 /nfs/dbraw/zinc/66/15/51/897661551.db2.gz SFJLCDISRSGBTF-CYBMUJFWSA-N 2 2 284.335 -0.204 20 0 CBADLP C[N@H+](CC(=O)N[C@H]1CC[NH+](CC(N)=O)C1)CC(C)(C)C ZINC001376143034 897672019 /nfs/dbraw/zinc/67/20/19/897672019.db2.gz KPASFNSYYLJODG-NSHDSACASA-N 2 2 284.404 -0.360 20 0 CBADLP C[N@@H+](CC(=O)N[C@H]1CC[NH+](CC(N)=O)C1)CC(C)(C)C ZINC001376143034 897672026 /nfs/dbraw/zinc/67/20/26/897672026.db2.gz KPASFNSYYLJODG-NSHDSACASA-N 2 2 284.404 -0.360 20 0 CBADLP C[NH+](CC(=O)N[C@H]1CC[N@H+](CC(N)=O)C1)CC(C)(C)C ZINC001376143034 897672031 /nfs/dbraw/zinc/67/20/31/897672031.db2.gz KPASFNSYYLJODG-NSHDSACASA-N 2 2 284.404 -0.360 20 0 CBADLP C[NH+](CC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1)CC(C)(C)C ZINC001376143034 897672037 /nfs/dbraw/zinc/67/20/37/897672037.db2.gz KPASFNSYYLJODG-NSHDSACASA-N 2 2 284.404 -0.360 20 0 CBADLP CO[C@@H](C)C[NH+]1CC(O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001376144088 897672326 /nfs/dbraw/zinc/67/23/26/897672326.db2.gz UCJRTXCFPUCKLJ-NWDGAFQWSA-N 2 2 285.388 -0.722 20 0 CBADLP CO[C@@H](C)C[NH+]1CC(O)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001376144088 897672331 /nfs/dbraw/zinc/67/23/31/897672331.db2.gz UCJRTXCFPUCKLJ-NWDGAFQWSA-N 2 2 285.388 -0.722 20 0 CBADLP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CC(=O)NC2CC2)C1 ZINC001376157336 897677171 /nfs/dbraw/zinc/67/71/71/897677171.db2.gz XZVIHPXXVKFQAS-CYBMUJFWSA-N 2 2 296.415 -0.203 20 0 CBADLP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](CC(=O)NC2CC2)C1 ZINC001376157336 897677180 /nfs/dbraw/zinc/67/71/80/897677180.db2.gz XZVIHPXXVKFQAS-CYBMUJFWSA-N 2 2 296.415 -0.203 20 0 CBADLP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001376157336 897677190 /nfs/dbraw/zinc/67/71/90/897677190.db2.gz XZVIHPXXVKFQAS-CYBMUJFWSA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001376247789 897698945 /nfs/dbraw/zinc/69/89/45/897698945.db2.gz XBYSOSMTDAFPOJ-SKDRFNHKSA-N 2 2 293.371 -0.429 20 0 CBADLP CCC[N@H+](C)CC(=O)NCC1(O)C[NH+]([C@@H](C)COC)C1 ZINC001376269295 897703132 /nfs/dbraw/zinc/70/31/32/897703132.db2.gz LGFYRLFMQAODJE-LBPRGKRZSA-N 2 2 287.404 -0.474 20 0 CBADLP CCC[N@@H+](C)CC(=O)NCC1(O)C[NH+]([C@@H](C)COC)C1 ZINC001376269295 897703139 /nfs/dbraw/zinc/70/31/39/897703139.db2.gz LGFYRLFMQAODJE-LBPRGKRZSA-N 2 2 287.404 -0.474 20 0 CBADLP CNC(=O)C[NH2+][C@H](C)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001376744962 897832990 /nfs/dbraw/zinc/83/29/90/897832990.db2.gz FVPHXCQKGVPQNN-SNVBAGLBSA-N 2 2 295.387 -0.233 20 0 CBADLP CNC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001376753200 897834652 /nfs/dbraw/zinc/83/46/52/897834652.db2.gz GWMYNMQFUXBWFQ-GHMZBOCLSA-N 2 2 293.371 -0.714 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]Cc1cn(C)nn1 ZINC001376768769 897840091 /nfs/dbraw/zinc/84/00/91/897840091.db2.gz XXBZFTPSRJHJKG-AAEUAGOBSA-N 2 2 294.403 -0.106 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]Cc1cn(C)nn1 ZINC001376768769 897840095 /nfs/dbraw/zinc/84/00/95/897840095.db2.gz XXBZFTPSRJHJKG-AAEUAGOBSA-N 2 2 294.403 -0.106 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)CCc1[nH+]ccn1C ZINC001376770976 897840308 /nfs/dbraw/zinc/84/03/08/897840308.db2.gz DZARGDJSBSBCGP-WDEREUQCSA-N 2 2 295.387 -0.419 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@@H](C)CNC(=O)CCc1[nH+]ccn1C ZINC001376770972 897840344 /nfs/dbraw/zinc/84/03/44/897840344.db2.gz DZARGDJSBSBCGP-QWRGUYRKSA-N 2 2 295.387 -0.419 20 0 CBADLP C[C@@H](CNC(=O)CCn1cc[nH+]c1)[NH2+][C@@H]1CCCNC1=O ZINC001376777699 897842802 /nfs/dbraw/zinc/84/28/02/897842802.db2.gz NUQROQLQQPMQFM-NWDGAFQWSA-N 2 2 293.371 -0.354 20 0 CBADLP C[C@@H](CNC(=O)CCn1cc[nH+]c1)[NH2+][C@@H](C)C(=O)N(C)C ZINC001376776602 897843728 /nfs/dbraw/zinc/84/37/28/897843728.db2.gz MCCUTWFDXVFHNG-RYUDHWBXSA-N 2 2 295.387 -0.156 20 0 CBADLP CNC(=O)C[NH2+]C1(CNC(=O)Cc2c[nH]c[nH+]2)CCC1 ZINC001376786768 897846912 /nfs/dbraw/zinc/84/69/12/897846912.db2.gz GWYZOHFRLBNVIT-UHFFFAOYSA-N 2 2 279.344 -0.673 20 0 CBADLP C[C@@H](O)C[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CCO1 ZINC001376843456 897868809 /nfs/dbraw/zinc/86/88/09/897868809.db2.gz DYVWLLRORKSYFG-YPMHNXCESA-N 2 2 296.371 -0.840 20 0 CBADLP CCCNC(=O)[C@H](C)[NH2+][C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001376890814 897883426 /nfs/dbraw/zinc/88/34/26/897883426.db2.gz YLESCKVBJNYORU-NEPJUHHUSA-N 2 2 295.387 -0.108 20 0 CBADLP C[C@@H]([NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1)C(N)=O ZINC001376971167 897905189 /nfs/dbraw/zinc/90/51/89/897905189.db2.gz ZCQWFDUIAZEBRH-ZJUUUORDSA-N 2 2 279.344 -0.736 20 0 CBADLP CC[C@H](C(=O)NC[C@H]1CCC2(C[NH+](CCO)C2)O1)[NH+](C)C ZINC001377059517 897921418 /nfs/dbraw/zinc/92/14/18/897921418.db2.gz LPKHIKJCPQODIP-CHWSQXEVSA-N 2 2 299.415 -0.332 20 0 CBADLP CNC(=O)C[NH2+][C@@H](C)CCNC(=O)CCc1[nH+]ccn1C ZINC001377055232 897921981 /nfs/dbraw/zinc/92/19/81/897921981.db2.gz FNZDQNPWHLHIGX-NSHDSACASA-N 2 2 295.387 -0.417 20 0 CBADLP CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001377099711 897928410 /nfs/dbraw/zinc/92/84/10/897928410.db2.gz QEKHLMMTRYWMJP-JTQLQIEISA-N 2 2 295.387 -0.119 20 0 CBADLP CCNC(=O)C[NH2+][C@H](C)CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001377099712 897929744 /nfs/dbraw/zinc/92/97/44/897929744.db2.gz QEKHLMMTRYWMJP-SNVBAGLBSA-N 2 2 295.387 -0.119 20 0 CBADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CC(N)=O ZINC001377149248 897951111 /nfs/dbraw/zinc/95/11/11/897951111.db2.gz FELGONMEUGWIHX-NSHDSACASA-N 2 2 270.377 -0.608 20 0 CBADLP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CC(N)=O ZINC001377149248 897951119 /nfs/dbraw/zinc/95/11/19/897951119.db2.gz FELGONMEUGWIHX-NSHDSACASA-N 2 2 270.377 -0.608 20 0 CBADLP CC(C)[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)CC(N)=O ZINC001377149248 897951130 /nfs/dbraw/zinc/95/11/30/897951130.db2.gz FELGONMEUGWIHX-NSHDSACASA-N 2 2 270.377 -0.608 20 0 CBADLP CC(C)[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)CC(N)=O ZINC001377149248 897951136 /nfs/dbraw/zinc/95/11/36/897951136.db2.gz FELGONMEUGWIHX-NSHDSACASA-N 2 2 270.377 -0.608 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001377231845 897975480 /nfs/dbraw/zinc/97/54/80/897975480.db2.gz VMZHEHPHKLHEEF-VXGBXAGGSA-N 2 2 284.404 -0.347 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001377231845 897975493 /nfs/dbraw/zinc/97/54/93/897975493.db2.gz VMZHEHPHKLHEEF-VXGBXAGGSA-N 2 2 284.404 -0.347 20 0 CBADLP CNC(=O)[C@@H](C)[NH+](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001377231845 897975504 /nfs/dbraw/zinc/97/55/04/897975504.db2.gz VMZHEHPHKLHEEF-VXGBXAGGSA-N 2 2 284.404 -0.347 20 0 CBADLP CNC(=O)[C@@H](C)[NH+](C)CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001377231845 897975519 /nfs/dbraw/zinc/97/55/19/897975519.db2.gz VMZHEHPHKLHEEF-VXGBXAGGSA-N 2 2 284.404 -0.347 20 0 CBADLP CNC(=O)C[N@H+](C)CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001377257659 897988876 /nfs/dbraw/zinc/98/88/76/897988876.db2.gz ZIBUJGQQVYFNNV-GFCCVEGCSA-N 2 2 272.393 -0.633 20 0 CBADLP CNC(=O)C[N@@H+](C)CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001377257659 897988887 /nfs/dbraw/zinc/98/88/87/897988887.db2.gz ZIBUJGQQVYFNNV-GFCCVEGCSA-N 2 2 272.393 -0.633 20 0 CBADLP CCCNC(=O)C[N@H+](C)CCNC(=O)C[NH+]1CCCC1 ZINC001377260404 897989998 /nfs/dbraw/zinc/98/99/98/897989998.db2.gz IJLCEYMENGXLOW-UHFFFAOYSA-N 2 2 284.404 -0.344 20 0 CBADLP CCCNC(=O)C[N@@H+](C)CCNC(=O)C[NH+]1CCCC1 ZINC001377260404 897990001 /nfs/dbraw/zinc/99/00/01/897990001.db2.gz IJLCEYMENGXLOW-UHFFFAOYSA-N 2 2 284.404 -0.344 20 0 CBADLP CNC(=O)C[NH2+]C1(C)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001377306951 898008901 /nfs/dbraw/zinc/00/89/01/898008901.db2.gz VBQZHRHZLLJQMD-UHFFFAOYSA-N 2 2 293.371 -0.331 20 0 CBADLP CC[C@@H](C(=O)N[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1)[NH+](C)C ZINC001377338270 898013633 /nfs/dbraw/zinc/01/36/33/898013633.db2.gz LIEIANIFDXOPII-PWSUYJOCSA-N 2 2 295.387 -0.087 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CCC[N@@H+]1CC(N)=O ZINC001377407765 898037015 /nfs/dbraw/zinc/03/70/15/898037015.db2.gz XIGDWXRNJUWWBW-NSHDSACASA-N 2 2 279.344 -0.743 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CCC[N@H+]1CC(N)=O ZINC001377407765 898037024 /nfs/dbraw/zinc/03/70/24/898037024.db2.gz XIGDWXRNJUWWBW-NSHDSACASA-N 2 2 279.344 -0.743 20 0 CBADLP C[C@H]([NH2+]CCN(C)C(=O)CCc1c[nH+]cn1C)C(N)=O ZINC001377590674 898096524 /nfs/dbraw/zinc/09/65/24/898096524.db2.gz OVLTWZYPZVVUKB-JTQLQIEISA-N 2 2 281.360 -0.726 20 0 CBADLP C[C@@H]([NH2+]CCN(C)C(=O)c1cccc2[nH+]ccn21)C(N)=O ZINC001377591559 898098194 /nfs/dbraw/zinc/09/81/94/898098194.db2.gz SUIZTPSURHRUCM-SNVBAGLBSA-N 2 2 289.339 -0.130 20 0 CBADLP CC[C@H]([NH2+]CCN(C)C(=O)CCc1c[nH+]cn1C)C(N)=O ZINC001377588047 898099786 /nfs/dbraw/zinc/09/97/86/898099786.db2.gz FJQJOYBILFWLSM-LBPRGKRZSA-N 2 2 295.387 -0.335 20 0 CBADLP CC[C@H](C(=O)NC[C@H](C)NC(=O)Cn1cc[nH+]c1)[NH+](C)C ZINC001377774029 898133184 /nfs/dbraw/zinc/13/31/84/898133184.db2.gz WHYQDQNVBVPZOV-NWDGAFQWSA-N 2 2 295.387 -0.156 20 0 CBADLP C[N@H+](CC(=O)N[C@H]1CCC[NH+](CC(N)=O)C1)C1CCC1 ZINC001377838930 898145628 /nfs/dbraw/zinc/14/56/28/898145628.db2.gz ZIIXJJBMTRMQOJ-NSHDSACASA-N 2 2 282.388 -0.463 20 0 CBADLP C[N@@H+](CC(=O)N[C@H]1CCC[NH+](CC(N)=O)C1)C1CCC1 ZINC001377838930 898145642 /nfs/dbraw/zinc/14/56/42/898145642.db2.gz ZIIXJJBMTRMQOJ-NSHDSACASA-N 2 2 282.388 -0.463 20 0 CBADLP C[NH+](CC(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1)C1CCC1 ZINC001377838930 898145649 /nfs/dbraw/zinc/14/56/49/898145649.db2.gz ZIIXJJBMTRMQOJ-NSHDSACASA-N 2 2 282.388 -0.463 20 0 CBADLP C[NH+](CC(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1)C1CCC1 ZINC001377838930 898145658 /nfs/dbraw/zinc/14/56/58/898145658.db2.gz ZIIXJJBMTRMQOJ-NSHDSACASA-N 2 2 282.388 -0.463 20 0 CBADLP COC[C@@H](O)C[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001377855554 898146892 /nfs/dbraw/zinc/14/68/92/898146892.db2.gz CMQZELKXVPDTST-STQMWFEESA-N 2 2 296.371 -0.529 20 0 CBADLP COC[C@@H](O)C[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001377855554 898146894 /nfs/dbraw/zinc/14/68/94/898146894.db2.gz CMQZELKXVPDTST-STQMWFEESA-N 2 2 296.371 -0.529 20 0 CBADLP CCCNC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001377901276 898164710 /nfs/dbraw/zinc/16/47/10/898164710.db2.gz JAHLSLVLWHAAJX-RYUDHWBXSA-N 2 2 295.387 -0.108 20 0 CBADLP COC[C@@H](O)C[NH+]1CC(NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001377910755 898169616 /nfs/dbraw/zinc/16/96/16/898169616.db2.gz PFDCQYFASJZKOB-QWHCGFSZSA-N 2 2 287.404 -0.620 20 0 CBADLP CC[C@@H](C(=O)NCC1C[NH+](CC(=O)N2CCC2)C1)[NH+](C)C ZINC001378011873 898197664 /nfs/dbraw/zinc/19/76/64/898197664.db2.gz UJTNRUUUGYQLDK-ZDUSSCGKSA-N 2 2 296.415 -0.393 20 0 CBADLP CCC[N@H+](C)CC(=O)NC[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001378074290 898222891 /nfs/dbraw/zinc/22/28/91/898222891.db2.gz RFCIFJZIOPGRSH-NSHDSACASA-N 2 2 295.387 -0.085 20 0 CBADLP CCC[N@@H+](C)CC(=O)NC[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001378074290 898222908 /nfs/dbraw/zinc/22/29/08/898222908.db2.gz RFCIFJZIOPGRSH-NSHDSACASA-N 2 2 295.387 -0.085 20 0 CBADLP C[NH+](C)C1(C(=O)N[C@@H]2CC[N@@H+]([C@H]3CCNC3=O)C2)CCC1 ZINC001378113437 898240543 /nfs/dbraw/zinc/24/05/43/898240543.db2.gz UOMVIEYPGJOQNY-NEPJUHHUSA-N 2 2 294.399 -0.450 20 0 CBADLP C[NH+](C)C1(C(=O)N[C@@H]2CC[N@H+]([C@H]3CCNC3=O)C2)CCC1 ZINC001378113437 898240557 /nfs/dbraw/zinc/24/05/57/898240557.db2.gz UOMVIEYPGJOQNY-NEPJUHHUSA-N 2 2 294.399 -0.450 20 0 CBADLP C[NH+](C)C1(C(=O)N[C@@H]2CC[N@@H+]([C@@H]3CCNC3=O)C2)CCC1 ZINC001378113842 898241492 /nfs/dbraw/zinc/24/14/92/898241492.db2.gz UOMVIEYPGJOQNY-VXGBXAGGSA-N 2 2 294.399 -0.450 20 0 CBADLP C[NH+](C)C1(C(=O)N[C@@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)CCC1 ZINC001378113842 898241505 /nfs/dbraw/zinc/24/15/05/898241505.db2.gz UOMVIEYPGJOQNY-VXGBXAGGSA-N 2 2 294.399 -0.450 20 0 CBADLP C[C@@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)Cc1cnnn1C ZINC001378219806 898283543 /nfs/dbraw/zinc/28/35/43/898283543.db2.gz KIVZEKWNLQIWMC-LBPRGKRZSA-N 2 2 294.403 -0.153 20 0 CBADLP C[C@@H](CNC(=O)C[NH+]1CCCC1)[N@@H+](C)Cc1cnnn1C ZINC001378219806 898283560 /nfs/dbraw/zinc/28/35/60/898283560.db2.gz KIVZEKWNLQIWMC-LBPRGKRZSA-N 2 2 294.403 -0.153 20 0 CBADLP CC[C@@H](CNC(=O)CCn1cc[nH+]c1)[NH2+][C@H]1CCNC1=O ZINC001378281699 898302914 /nfs/dbraw/zinc/30/29/14/898302914.db2.gz GHLJUVAQHKRIIG-RYUDHWBXSA-N 2 2 293.371 -0.354 20 0 CBADLP CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001378293878 898305603 /nfs/dbraw/zinc/30/56/03/898305603.db2.gz MARAHHHVJYNSRS-JTQLQIEISA-N 2 2 281.360 -0.427 20 0 CBADLP CC[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@H](C)C(=O)NC ZINC001378310418 898312582 /nfs/dbraw/zinc/31/25/82/898312582.db2.gz KTOLZUSQIFJQIC-NXEZZACHSA-N 2 2 281.360 -0.429 20 0 CBADLP CNC(=O)C[NH2+]CC1(NC(=O)Cc2[nH]cc[nH+]2)CCCC1 ZINC001378371556 898323845 /nfs/dbraw/zinc/32/38/45/898323845.db2.gz WOHXGJDTLSNTRM-UHFFFAOYSA-N 2 2 293.371 -0.283 20 0 CBADLP C[C@@H]([NH2+]C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1)C(N)=O ZINC001378522792 898343419 /nfs/dbraw/zinc/34/34/19/898343419.db2.gz LRFYAZYTJSKRSM-GHMZBOCLSA-N 2 2 279.344 -0.663 20 0 CBADLP C[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)C[NH2+][C@@H](C)C(N)=O ZINC001378569725 898356294 /nfs/dbraw/zinc/35/62/94/898356294.db2.gz UTOSILARUFRYHQ-ZJUUUORDSA-N 2 2 281.360 -0.442 20 0 CBADLP C[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)C[NH2+][C@@H](C)C(N)=O ZINC001378569725 898356307 /nfs/dbraw/zinc/35/63/07/898356307.db2.gz UTOSILARUFRYHQ-ZJUUUORDSA-N 2 2 281.360 -0.442 20 0 CBADLP C[C@@H]([NH2+]C[C@@H](C)CNC(=O)CCn1cc[nH+]c1)C(N)=O ZINC001378594610 898363369 /nfs/dbraw/zinc/36/33/69/898363369.db2.gz PYTURDSJJGPZLM-GHMZBOCLSA-N 2 2 281.360 -0.511 20 0 CBADLP C[C@@H](CNC(=O)CCn1cc[nH+]c1)C[NH2+]CC(=O)N(C)C ZINC001378594741 898363692 /nfs/dbraw/zinc/36/36/92/898363692.db2.gz QGXDIWICUKOINY-GFCCVEGCSA-N 2 2 295.387 -0.297 20 0 CBADLP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2C[NH+](CCO)CCO2)C1 ZINC001378683530 898391180 /nfs/dbraw/zinc/39/11/80/898391180.db2.gz ITQFWSOSQWRPRO-OLZOCXBDSA-N 2 2 285.388 -0.863 20 0 CBADLP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2C[NH+](CCO)CCO2)C1 ZINC001378683530 898391188 /nfs/dbraw/zinc/39/11/88/898391188.db2.gz ITQFWSOSQWRPRO-OLZOCXBDSA-N 2 2 285.388 -0.863 20 0 CBADLP C[C@@H]1CC[NH+](CC(=O)NC[C@H]2C[N@H+](CCO)CCO2)C1 ZINC001378683530 898391198 /nfs/dbraw/zinc/39/11/98/898391198.db2.gz ITQFWSOSQWRPRO-OLZOCXBDSA-N 2 2 285.388 -0.863 20 0 CBADLP C[C@@H]1CC[NH+](CC(=O)NC[C@H]2C[N@@H+](CCO)CCO2)C1 ZINC001378683530 898391209 /nfs/dbraw/zinc/39/12/09/898391209.db2.gz ITQFWSOSQWRPRO-OLZOCXBDSA-N 2 2 285.388 -0.863 20 0 CBADLP C[C@@H]([NH2+]C1(CNC(=O)Cc2c[nH]c[nH+]2)CCCC1)C(N)=O ZINC001378708554 898394965 /nfs/dbraw/zinc/39/49/65/898394965.db2.gz HBGMYBNTZZDCJP-SNVBAGLBSA-N 2 2 293.371 -0.155 20 0 CBADLP CC(C)C[C@H](C[NH2+][C@H](C)C(N)=O)NC(=O)Cc1[nH]cc[nH+]1 ZINC001378877325 898427014 /nfs/dbraw/zinc/42/70/14/898427014.db2.gz HHSXXMRVSGMQHT-GHMZBOCLSA-N 2 2 295.387 -0.054 20 0 CBADLP CNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001378891706 898430704 /nfs/dbraw/zinc/43/07/04/898430704.db2.gz MJXWGQPWXAHGEY-XYPYZODXSA-N 2 2 279.344 -0.887 20 0 CBADLP CCC[N@H+](C)CC(=O)N(C)CC[NH+](C)CC(=O)N(C)C ZINC001379125192 898469908 /nfs/dbraw/zinc/46/99/08/898469908.db2.gz FMOHVIAAHAGRLB-UHFFFAOYSA-N 2 2 286.420 -0.193 20 0 CBADLP CCC[N@@H+](C)CC(=O)N(C)CC[NH+](C)CC(=O)N(C)C ZINC001379125192 898469911 /nfs/dbraw/zinc/46/99/11/898469911.db2.gz FMOHVIAAHAGRLB-UHFFFAOYSA-N 2 2 286.420 -0.193 20 0 CBADLP CCC[NH+](C)CC(=O)N(C)CC[N@@H+](C)CC(=O)N(C)C ZINC001379125192 898469926 /nfs/dbraw/zinc/46/99/26/898469926.db2.gz FMOHVIAAHAGRLB-UHFFFAOYSA-N 2 2 286.420 -0.193 20 0 CBADLP O=C(C[NH+]1CCCC1)NC[C@@H](O)C[NH2+]Cc1nncs1 ZINC001379290576 898539814 /nfs/dbraw/zinc/53/98/14/898539814.db2.gz RFOYBMHDTHKLFJ-JTQLQIEISA-N 2 2 299.400 -0.799 20 0 CBADLP Cc1cc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2C[N@H+](C)CCO2)on1 ZINC001379345007 898564354 /nfs/dbraw/zinc/56/43/54/898564354.db2.gz MDQDJNNCGPBHRZ-YPMHNXCESA-N 2 2 296.371 -0.092 20 0 CBADLP Cc1cc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2C[N@@H+](C)CCO2)on1 ZINC001379345007 898564362 /nfs/dbraw/zinc/56/43/62/898564362.db2.gz MDQDJNNCGPBHRZ-YPMHNXCESA-N 2 2 296.371 -0.092 20 0 CBADLP COC[C@H](O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001379518403 898654710 /nfs/dbraw/zinc/65/47/10/898654710.db2.gz GYIASZAKMZBYIE-IRCOFANPSA-N 2 2 296.371 -0.385 20 0 CBADLP COC[C@H](O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001379518403 898654714 /nfs/dbraw/zinc/65/47/14/898654714.db2.gz GYIASZAKMZBYIE-IRCOFANPSA-N 2 2 296.371 -0.385 20 0 CBADLP Cc1conc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001379530843 898657694 /nfs/dbraw/zinc/65/76/94/898657694.db2.gz VCBIGLRQYAZTSN-RYUDHWBXSA-N 2 2 296.371 -0.499 20 0 CBADLP Cc1conc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001379530843 898657701 /nfs/dbraw/zinc/65/77/01/898657701.db2.gz VCBIGLRQYAZTSN-RYUDHWBXSA-N 2 2 296.371 -0.499 20 0 CBADLP Cc1conc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001379530830 898658507 /nfs/dbraw/zinc/65/85/07/898658507.db2.gz VCBIGLRQYAZTSN-NEPJUHHUSA-N 2 2 296.371 -0.499 20 0 CBADLP Cc1conc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001379530830 898658516 /nfs/dbraw/zinc/65/85/16/898658516.db2.gz VCBIGLRQYAZTSN-NEPJUHHUSA-N 2 2 296.371 -0.499 20 0 CBADLP C[C@@H](C[NH2+]CC(=O)NC1CC1)NC(=O)CCn1cc[nH+]c1 ZINC001379533420 898661751 /nfs/dbraw/zinc/66/17/51/898661751.db2.gz DDOQBMILQGQMOI-NSHDSACASA-N 2 2 293.371 -0.354 20 0 CBADLP CC[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1nc(=O)n(C)[nH]1)[NH+](C)C ZINC001379552641 898663874 /nfs/dbraw/zinc/66/38/74/898663874.db2.gz OTOCBKVSLRHMHJ-UWVGGRQHSA-N 2 2 298.391 -0.957 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001379789536 898731320 /nfs/dbraw/zinc/73/13/20/898731320.db2.gz NEMRWJFYXRKEOE-JQWIXIFHSA-N 2 2 295.387 -0.108 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001379789536 898731324 /nfs/dbraw/zinc/73/13/24/898731324.db2.gz NEMRWJFYXRKEOE-JQWIXIFHSA-N 2 2 295.387 -0.108 20 0 CBADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C[NH2+]CC(N)=O)C1CC1 ZINC001379908601 898759679 /nfs/dbraw/zinc/75/96/79/898759679.db2.gz LWNZYVNGVGKJRT-CABZTGNLSA-N 2 2 293.371 -0.442 20 0 CBADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C[NH2+]CC(N)=O)C1CC1 ZINC001379908601 898759685 /nfs/dbraw/zinc/75/96/85/898759685.db2.gz LWNZYVNGVGKJRT-CABZTGNLSA-N 2 2 293.371 -0.442 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@@H](C[NH2+][C@@H]1CCNC1=O)C1CC1 ZINC001379917404 898759933 /nfs/dbraw/zinc/75/99/33/898759933.db2.gz MILWEHWXJRCXQL-NEPJUHHUSA-N 2 2 291.355 -0.744 20 0 CBADLP CCNC(=O)C[NH2+]C[C@H](NC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001379920736 898764283 /nfs/dbraw/zinc/76/42/83/898764283.db2.gz NKSQVRGBQWBZOJ-NSHDSACASA-N 2 2 293.371 -0.427 20 0 CBADLP COc1cc[nH+]cc1CC(=O)NCC1([NH2+]CCO)CC1 ZINC001380106085 898811793 /nfs/dbraw/zinc/81/17/93/898811793.db2.gz UEDNMWQBAYSSSC-UHFFFAOYSA-N 2 2 279.340 -0.137 20 0 CBADLP CCn1ncnc1C[NH2+]C1(CNC(=O)CC[NH+](C)C)CC1 ZINC001380130170 898815491 /nfs/dbraw/zinc/81/54/91/898815491.db2.gz FYORQNSSFCUZFX-UHFFFAOYSA-N 2 2 294.403 -0.012 20 0 CBADLP CCCNC(=O)C[NH2+]C1(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001380167072 898828427 /nfs/dbraw/zinc/82/84/27/898828427.db2.gz FFZYRDWWNPXJMD-UHFFFAOYSA-N 2 2 293.371 -0.352 20 0 CBADLP C[C@@H](CC(=O)N1CCC[C@@H]1C[NH2+]CC(N)=O)n1cc[nH+]c1 ZINC001380280982 898848241 /nfs/dbraw/zinc/84/82/41/898848241.db2.gz DFLKZULXCICPIJ-NWDGAFQWSA-N 2 2 293.371 -0.100 20 0 CBADLP C[C@@H](O)C[NH+]1CC(O)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001380597718 898916013 /nfs/dbraw/zinc/91/60/13/898916013.db2.gz HPDJERADPLDLGC-GFCCVEGCSA-N 2 2 297.399 -0.842 20 0 CBADLP CO[C@H](C)C[NH+]1CC(O)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001380625286 898924194 /nfs/dbraw/zinc/92/41/94/898924194.db2.gz RLUUXJSLSOMZSN-GFCCVEGCSA-N 2 2 299.415 -0.474 20 0 CBADLP C[C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C[NH2+]CC(N)=O ZINC001380679664 898934542 /nfs/dbraw/zinc/93/45/42/898934542.db2.gz FDMHTBBJRSNJFC-RYUDHWBXSA-N 2 2 293.371 -0.557 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@]1(CO)CCC[NH+](CCO)C1 ZINC001380743838 898945169 /nfs/dbraw/zinc/94/51/69/898945169.db2.gz RZIIWLDDNHKEJN-OCCSQVGLSA-N 2 2 285.388 -0.984 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@]1(CO)CCC[NH+](CCO)C1 ZINC001380743838 898945180 /nfs/dbraw/zinc/94/51/80/898945180.db2.gz RZIIWLDDNHKEJN-OCCSQVGLSA-N 2 2 285.388 -0.984 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@]1(CO)CCC[N@H+](CCO)C1 ZINC001380743838 898945191 /nfs/dbraw/zinc/94/51/91/898945191.db2.gz RZIIWLDDNHKEJN-OCCSQVGLSA-N 2 2 285.388 -0.984 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@]1(CO)CCC[N@@H+](CCO)C1 ZINC001380743838 898945195 /nfs/dbraw/zinc/94/51/95/898945195.db2.gz RZIIWLDDNHKEJN-OCCSQVGLSA-N 2 2 285.388 -0.984 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@]1(CO)CCC[NH+](CCO)C1 ZINC001380743839 898947443 /nfs/dbraw/zinc/94/74/43/898947443.db2.gz RZIIWLDDNHKEJN-TZMCWYRMSA-N 2 2 285.388 -0.984 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@]1(CO)CCC[NH+](CCO)C1 ZINC001380743839 898947452 /nfs/dbraw/zinc/94/74/52/898947452.db2.gz RZIIWLDDNHKEJN-TZMCWYRMSA-N 2 2 285.388 -0.984 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)N[C@]1(CO)CCC[N@H+](CCO)C1 ZINC001380743839 898947460 /nfs/dbraw/zinc/94/74/60/898947460.db2.gz RZIIWLDDNHKEJN-TZMCWYRMSA-N 2 2 285.388 -0.984 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)N[C@]1(CO)CCC[N@@H+](CCO)C1 ZINC001380743839 898947468 /nfs/dbraw/zinc/94/74/68/898947468.db2.gz RZIIWLDDNHKEJN-TZMCWYRMSA-N 2 2 285.388 -0.984 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1COC2(C[NH+](C[C@H](C)O)C2)C1 ZINC001381017883 898984257 /nfs/dbraw/zinc/98/42/57/898984257.db2.gz XYUAVQATFLPDOA-STQMWFEESA-N 2 2 299.415 -0.333 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1COC2(C[NH+](C[C@H](C)O)C2)C1 ZINC001381017883 898984265 /nfs/dbraw/zinc/98/42/65/898984265.db2.gz XYUAVQATFLPDOA-STQMWFEESA-N 2 2 299.415 -0.333 20 0 CBADLP CC(C)[NH+]1CCC(CO)(NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001381240473 899018210 /nfs/dbraw/zinc/01/82/10/899018210.db2.gz QDMJUBYFLHJHPO-ZDUSSCGKSA-N 2 2 299.415 -0.332 20 0 CBADLP CC(C)[NH+]1CCC(CO)(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001381240473 899018226 /nfs/dbraw/zinc/01/82/26/899018226.db2.gz QDMJUBYFLHJHPO-ZDUSSCGKSA-N 2 2 299.415 -0.332 20 0 CBADLP CCNC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001381442832 899049872 /nfs/dbraw/zinc/04/98/72/899049872.db2.gz BQVODJRHHOCUQT-VHSXEESVSA-N 2 2 295.387 -0.120 20 0 CBADLP C[C@@H]([NH2+]Cc1cnn(C)n1)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001381449264 899056995 /nfs/dbraw/zinc/05/69/95/899056995.db2.gz OMKVWBOVGOCEHV-MNOVXSKESA-N 2 2 291.359 -0.305 20 0 CBADLP CO[C@@H](C)C[NH+]1CC(CCO)(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001381650019 899100204 /nfs/dbraw/zinc/10/02/04/899100204.db2.gz JDAYNXMKKQVURC-QWHCGFSZSA-N 2 2 299.415 -0.332 20 0 CBADLP CO[C@@H](C)C[NH+]1CC(CCO)(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001381650019 899100215 /nfs/dbraw/zinc/10/02/15/899100215.db2.gz JDAYNXMKKQVURC-QWHCGFSZSA-N 2 2 299.415 -0.332 20 0 CBADLP CC[C@H](C(=O)NC1(CCO)C[NH+](C[C@H](C)O)C1)[NH+](C)C ZINC001381662500 899103108 /nfs/dbraw/zinc/10/31/08/899103108.db2.gz UGHFENFMOWKDEP-NWDGAFQWSA-N 2 2 287.404 -0.740 20 0 CBADLP CCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001381811308 899115259 /nfs/dbraw/zinc/11/52/59/899115259.db2.gz LUOWGPHRFNIRIY-DGCLKSJQSA-N 2 2 298.431 -0.101 20 0 CBADLP CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001382116765 899161443 /nfs/dbraw/zinc/16/14/43/899161443.db2.gz KBNCAKMRFDBMJS-SNVBAGLBSA-N 2 2 281.360 -0.475 20 0 CBADLP CC(C)[NH2+][C@H](CO)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001382206366 899194314 /nfs/dbraw/zinc/19/43/14/899194314.db2.gz HVUJNWNZUBZQPO-RYUDHWBXSA-N 2 2 280.372 -0.079 20 0 CBADLP CC(C)[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001382206368 899195912 /nfs/dbraw/zinc/19/59/12/899195912.db2.gz HVUJNWNZUBZQPO-VXGBXAGGSA-N 2 2 280.372 -0.079 20 0 CBADLP C[C@H](O)C[NH2+][C@H](CO)CNC(=O)c1cccc2[nH+]ccn21 ZINC001382228385 899202870 /nfs/dbraw/zinc/20/28/70/899202870.db2.gz WZEPWQGMXMNTMH-QWRGUYRKSA-N 2 2 292.339 -0.605 20 0 CBADLP C[C@@H](O)C[NH2+][C@H](CO)CNC(=O)c1cccc2[nH+]ccn21 ZINC001382228186 899203015 /nfs/dbraw/zinc/20/30/15/899203015.db2.gz WZEPWQGMXMNTMH-MNOVXSKESA-N 2 2 292.339 -0.605 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC[C@H](CO)[NH2+]C/C=C/Cl ZINC001382264346 899220268 /nfs/dbraw/zinc/22/02/68/899220268.db2.gz GTZMPRPFLCNOBJ-VMZHVLLKSA-N 2 2 286.763 -0.218 20 0 CBADLP CC[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc1nnc(C)[nH]1)[NH+](C)C ZINC001382267896 899220987 /nfs/dbraw/zinc/22/09/87/899220987.db2.gz LCBIRLSNQOZFBR-WDEREUQCSA-N 2 2 298.391 -0.980 20 0 CBADLP CN(CCNC(=O)Cc1c[nH]c[nH+]1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001455486009 914365941 /nfs/dbraw/zinc/36/59/41/914365941.db2.gz BSUUYEYOYVNMAK-GFCCVEGCSA-N 2 2 293.371 -0.379 20 0 CBADLP CN(CCNC(=O)Cc1c[nH]c[nH+]1)C(=O)[C@H]1CCC[N@H+]1C ZINC001455486009 914365957 /nfs/dbraw/zinc/36/59/57/914365957.db2.gz BSUUYEYOYVNMAK-GFCCVEGCSA-N 2 2 293.371 -0.379 20 0 CBADLP CN(CCNC(=O)CC[NH+](C)C)C(=O)Cc1c[nH+]c[nH]1 ZINC001387092771 899759773 /nfs/dbraw/zinc/75/97/73/899759773.db2.gz CSIUYZICEQFQDE-UHFFFAOYSA-N 2 2 281.360 -0.522 20 0 CBADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001387188066 899772026 /nfs/dbraw/zinc/77/20/26/899772026.db2.gz FUWVXUHMVHTQMY-PWSUYJOCSA-N 2 2 293.371 -0.333 20 0 CBADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001387188066 899772032 /nfs/dbraw/zinc/77/20/32/899772032.db2.gz FUWVXUHMVHTQMY-PWSUYJOCSA-N 2 2 293.371 -0.333 20 0 CBADLP CC[C@H](C(=O)N(C)CCNC(=O)Cn1cc[nH+]c1)[NH+](C)C ZINC001387862169 899842494 /nfs/dbraw/zinc/84/24/94/899842494.db2.gz MJHPRLDWFKYQTK-GFCCVEGCSA-N 2 2 295.387 -0.202 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CC[C@@H]1CN(C)C(=O)CCC[NH+](C)C ZINC001388650234 899898884 /nfs/dbraw/zinc/89/88/84/899898884.db2.gz VARDPTQEGRFHFR-VXGBXAGGSA-N 2 2 284.404 -0.265 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CC[C@@H]1CN(C)C(=O)CCC[NH+](C)C ZINC001388650234 899898891 /nfs/dbraw/zinc/89/88/91/899898891.db2.gz VARDPTQEGRFHFR-VXGBXAGGSA-N 2 2 284.404 -0.265 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@@H]1CN(C)C(=O)CCC[NH+](C)C ZINC001388650228 899899662 /nfs/dbraw/zinc/89/96/62/899899662.db2.gz VARDPTQEGRFHFR-NWDGAFQWSA-N 2 2 284.404 -0.265 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CC[C@@H]1CN(C)C(=O)CCC[NH+](C)C ZINC001388650228 899899678 /nfs/dbraw/zinc/89/96/78/899899678.db2.gz VARDPTQEGRFHFR-NWDGAFQWSA-N 2 2 284.404 -0.265 20 0 CBADLP COC[C@H](O)C[NH2+][C@H]1C[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001388699472 899901417 /nfs/dbraw/zinc/90/14/17/899901417.db2.gz CJEMILDXRCCNPW-FRRDWIJNSA-N 2 2 296.371 -0.625 20 0 CBADLP CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001388726628 899903926 /nfs/dbraw/zinc/90/39/26/899903926.db2.gz GVCWOFGPIUGGEB-XYPYZODXSA-N 2 2 293.371 -0.427 20 0 CBADLP CC[C@@H](C(=O)NC[C@@H](C)NC(=O)Cn1cc[nH+]c1)[NH+](C)C ZINC001389215826 899972087 /nfs/dbraw/zinc/97/20/87/899972087.db2.gz WHYQDQNVBVPZOV-NEPJUHHUSA-N 2 2 295.387 -0.156 20 0 CBADLP C[NH+](C)CCC(=O)N1CC(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001389486088 900026791 /nfs/dbraw/zinc/02/67/91/900026791.db2.gz MYLDNASDEIGCPV-UHFFFAOYSA-N 2 2 279.344 -0.769 20 0 CBADLP CC[C@H](C(=O)NC[C@H]1CCCC[N@@H+]1CC(N)=O)[NH+](C)C ZINC001390147849 900117877 /nfs/dbraw/zinc/11/78/77/900117877.db2.gz JZHWQIDTJQMVDC-VXGBXAGGSA-N 2 2 284.404 -0.217 20 0 CBADLP CC[C@H](C(=O)NC[C@H]1CCCC[N@H+]1CC(N)=O)[NH+](C)C ZINC001390147849 900117884 /nfs/dbraw/zinc/11/78/84/900117884.db2.gz JZHWQIDTJQMVDC-VXGBXAGGSA-N 2 2 284.404 -0.217 20 0 CBADLP CNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001390424894 900156142 /nfs/dbraw/zinc/15/61/42/900156142.db2.gz VLMQQSKCMIMBJO-QWRGUYRKSA-N 2 2 293.371 -0.714 20 0 CBADLP CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001390592659 900194460 /nfs/dbraw/zinc/19/44/60/900194460.db2.gz CMZVXDFPZLRDDE-LBPRGKRZSA-N 2 2 293.371 -0.543 20 0 CBADLP COC[C@H](O)C[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001390593797 900194643 /nfs/dbraw/zinc/19/46/43/900194643.db2.gz HEDSAYQPDXFSMT-QWHCGFSZSA-N 2 2 296.371 -0.672 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NCC[N@@H+](C)[C@H](C)C(=O)N(C)C ZINC001390856365 900266313 /nfs/dbraw/zinc/26/63/13/900266313.db2.gz AOHFTJZROOHSKY-LLVKDONJSA-N 2 2 295.387 -0.284 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NCC[N@H+](C)[C@H](C)C(=O)N(C)C ZINC001390856365 900266323 /nfs/dbraw/zinc/26/63/23/900266323.db2.gz AOHFTJZROOHSKY-LLVKDONJSA-N 2 2 295.387 -0.284 20 0 CBADLP CN(C(=O)C[N@H+](C)CCNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001390857799 900267029 /nfs/dbraw/zinc/26/70/29/900267029.db2.gz FDMIJQRKPTVNDH-UHFFFAOYSA-N 2 2 296.415 -0.249 20 0 CBADLP CN(C(=O)C[N@@H+](C)CCNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001390857799 900267040 /nfs/dbraw/zinc/26/70/40/900267040.db2.gz FDMIJQRKPTVNDH-UHFFFAOYSA-N 2 2 296.415 -0.249 20 0 CBADLP CC[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)CC(=O)N(C)C ZINC001390973597 900289697 /nfs/dbraw/zinc/28/96/97/900289697.db2.gz ZVVFQMMRFBKNMV-ZDUSSCGKSA-N 2 2 298.431 -0.003 20 0 CBADLP CC[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)CC(=O)N(C)C ZINC001390973597 900289708 /nfs/dbraw/zinc/28/97/08/900289708.db2.gz ZVVFQMMRFBKNMV-ZDUSSCGKSA-N 2 2 298.431 -0.003 20 0 CBADLP CC[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)CC(=O)N(C)C ZINC001390973597 900289717 /nfs/dbraw/zinc/28/97/17/900289717.db2.gz ZVVFQMMRFBKNMV-ZDUSSCGKSA-N 2 2 298.431 -0.003 20 0 CBADLP CC[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1C)CC(=O)N(C)C ZINC001390973597 900289725 /nfs/dbraw/zinc/28/97/25/900289725.db2.gz ZVVFQMMRFBKNMV-ZDUSSCGKSA-N 2 2 298.431 -0.003 20 0 CBADLP CCCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001391287271 900351429 /nfs/dbraw/zinc/35/14/29/900351429.db2.gz GEYGKHJHFQDXTE-STQMWFEESA-N 2 2 296.415 -0.264 20 0 CBADLP CCCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001391287271 900351440 /nfs/dbraw/zinc/35/14/40/900351440.db2.gz GEYGKHJHFQDXTE-STQMWFEESA-N 2 2 296.415 -0.264 20 0 CBADLP CCCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](CC(N)=O)C1 ZINC001391287271 900351452 /nfs/dbraw/zinc/35/14/52/900351452.db2.gz GEYGKHJHFQDXTE-STQMWFEESA-N 2 2 296.415 -0.264 20 0 CBADLP CCCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](CC(N)=O)C1 ZINC001391287271 900351467 /nfs/dbraw/zinc/35/14/67/900351467.db2.gz GEYGKHJHFQDXTE-STQMWFEESA-N 2 2 296.415 -0.264 20 0 CBADLP CC[C@H](C(=O)NC1C[NH+](C[C@H](O)COC)C1)[NH+](C)C ZINC001391422073 900374458 /nfs/dbraw/zinc/37/44/58/900374458.db2.gz RGISDXZXURPUKI-NWDGAFQWSA-N 2 2 273.377 -0.866 20 0 CBADLP COC[C@H](O)C[NH+]1CC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001391420179 900375418 /nfs/dbraw/zinc/37/54/18/900375418.db2.gz IYHLFKHWNNSZKO-RAIGVLPGSA-N 2 2 285.388 -0.866 20 0 CBADLP COC[C@H](O)C[NH+]1CC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001391420179 900375434 /nfs/dbraw/zinc/37/54/34/900375434.db2.gz IYHLFKHWNNSZKO-RAIGVLPGSA-N 2 2 285.388 -0.866 20 0 CBADLP CCC[N@H+](C)CC(=O)NCC1C[NH+](CC(=O)N(C)CC)C1 ZINC001391515423 900397528 /nfs/dbraw/zinc/39/75/28/900397528.db2.gz KTJKHMYZFSBSFR-UHFFFAOYSA-N 2 2 298.431 -0.146 20 0 CBADLP CCC[N@@H+](C)CC(=O)NCC1C[NH+](CC(=O)N(C)CC)C1 ZINC001391515423 900397540 /nfs/dbraw/zinc/39/75/40/900397540.db2.gz KTJKHMYZFSBSFR-UHFFFAOYSA-N 2 2 298.431 -0.146 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NCC1C[NH+]([C@H]2CCNC2=O)C1 ZINC001391514191 900398289 /nfs/dbraw/zinc/39/82/89/900398289.db2.gz LUUIGGKUBGFADE-LBPRGKRZSA-N 2 2 291.355 -0.872 20 0 CBADLP C[NH+]1CCC[C@@H]1CCC(=O)N[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001391554335 900407992 /nfs/dbraw/zinc/40/79/92/900407992.db2.gz WXSXPSRVQJTAFK-NWDGAFQWSA-N 2 2 282.388 -0.463 20 0 CBADLP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1CC[NH+](CC(N)=O)C1 ZINC001391554335 900407986 /nfs/dbraw/zinc/40/79/86/900407986.db2.gz WXSXPSRVQJTAFK-NWDGAFQWSA-N 2 2 282.388 -0.463 20 0 CBADLP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@H]1CC[NH+](CC(N)=O)C1 ZINC001391554335 900407989 /nfs/dbraw/zinc/40/79/89/900407989.db2.gz WXSXPSRVQJTAFK-NWDGAFQWSA-N 2 2 282.388 -0.463 20 0 CBADLP C[NH+]1CCC[C@@H]1CCC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001391554335 900408002 /nfs/dbraw/zinc/40/80/02/900408002.db2.gz WXSXPSRVQJTAFK-NWDGAFQWSA-N 2 2 282.388 -0.463 20 0 CBADLP CC[C@@H](C(=O)N(CC)[C@@H]1CC[N@H+](CC(N)=O)C1)[NH+](C)C ZINC001391648313 900426137 /nfs/dbraw/zinc/42/61/37/900426137.db2.gz BAGOMVXXTSKEJR-NEPJUHHUSA-N 2 2 284.404 -0.265 20 0 CBADLP CC[C@@H](C(=O)N(CC)[C@@H]1CC[N@@H+](CC(N)=O)C1)[NH+](C)C ZINC001391648313 900426140 /nfs/dbraw/zinc/42/61/40/900426140.db2.gz BAGOMVXXTSKEJR-NEPJUHHUSA-N 2 2 284.404 -0.265 20 0 CBADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)C[NH2+][C@@H]1CCNC1=O ZINC001391946353 900469736 /nfs/dbraw/zinc/46/97/36/900469736.db2.gz YVHDHDXDQMTKFB-NXEZZACHSA-N 2 2 279.344 -0.817 20 0 CBADLP C[C@H](CNC(=O)CCc1c[nH+]cn1C)C[NH2+][C@@H](C)C(N)=O ZINC001391951307 900470174 /nfs/dbraw/zinc/47/01/74/900470174.db2.gz FCHSBYLUGFLIBE-QWRGUYRKSA-N 2 2 295.387 -0.432 20 0 CBADLP COCC[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001391969375 900477491 /nfs/dbraw/zinc/47/74/91/900477491.db2.gz GFCHBTLJOCABBT-AWEZNQCLSA-N 2 2 299.415 -0.066 20 0 CBADLP COCC[N@H+]1CCO[C@@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001391969375 900477494 /nfs/dbraw/zinc/47/74/94/900477494.db2.gz GFCHBTLJOCABBT-AWEZNQCLSA-N 2 2 299.415 -0.066 20 0 CBADLP COCC[NH+]1CCO[C@@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001391969375 900477497 /nfs/dbraw/zinc/47/74/97/900477497.db2.gz GFCHBTLJOCABBT-AWEZNQCLSA-N 2 2 299.415 -0.066 20 0 CBADLP COCC[NH+]1CCO[C@@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001391969375 900477501 /nfs/dbraw/zinc/47/75/01/900477501.db2.gz GFCHBTLJOCABBT-AWEZNQCLSA-N 2 2 299.415 -0.066 20 0 CBADLP C[C@@H](C[NH2+]CC(N)=O)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001392101815 900512787 /nfs/dbraw/zinc/51/27/87/900512787.db2.gz DKJMHUMYLQVPDK-HBNTYKKESA-N 2 2 293.371 -0.555 20 0 CBADLP CC[C@@H](C(=O)N(C)CC[N@H+](C)CC(=O)NC)[NH+](C)C ZINC001392316388 900562628 /nfs/dbraw/zinc/56/26/28/900562628.db2.gz WIVYWDWBJAJAAA-NSHDSACASA-N 2 2 272.393 -0.537 20 0 CBADLP CC[C@@H](C(=O)N(C)CC[N@@H+](C)CC(=O)NC)[NH+](C)C ZINC001392316388 900562639 /nfs/dbraw/zinc/56/26/39/900562639.db2.gz WIVYWDWBJAJAAA-NSHDSACASA-N 2 2 272.393 -0.537 20 0 CBADLP CNC(=O)C[N@H+](C)CCN(C)C(=O)CCC[NH+]1CCCC1 ZINC001392334980 900566133 /nfs/dbraw/zinc/56/61/33/900566133.db2.gz MTCAEIHYCGMWEL-UHFFFAOYSA-N 2 2 298.431 -0.001 20 0 CBADLP CNC(=O)C[N@@H+](C)CCN(C)C(=O)CCC[NH+]1CCCC1 ZINC001392334980 900566140 /nfs/dbraw/zinc/56/61/40/900566140.db2.gz MTCAEIHYCGMWEL-UHFFFAOYSA-N 2 2 298.431 -0.001 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H](O)C[NH2+]C[C@H]1CCOC1 ZINC001392412006 900609454 /nfs/dbraw/zinc/60/94/54/900609454.db2.gz SJJJNEOPTUFAJN-GHMZBOCLSA-N 2 2 282.344 -0.945 20 0 CBADLP CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001392532916 900652196 /nfs/dbraw/zinc/65/21/96/900652196.db2.gz ZUEGSWDJOLZZFY-SECBINFHSA-N 2 2 281.360 -0.509 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc2ccon2)C1 ZINC001392616576 900678896 /nfs/dbraw/zinc/67/88/96/900678896.db2.gz CHZVABFGOYRLDH-WCQYABFASA-N 2 2 296.371 -0.010 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc2ccon2)C1 ZINC001392616576 900678902 /nfs/dbraw/zinc/67/89/02/900678902.db2.gz CHZVABFGOYRLDH-WCQYABFASA-N 2 2 296.371 -0.010 20 0 CBADLP C[C@@H]([NH2+]C[C@H](NC(=O)Cc1c[nH+]cn1C)C1CC1)C(N)=O ZINC001392795830 900729197 /nfs/dbraw/zinc/72/91/97/900729197.db2.gz DIZFZUORVVZFAZ-SKDRFNHKSA-N 2 2 293.371 -0.679 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C[NH2+][C@H](C)C(N)=O)C1CC1 ZINC001392809878 900731207 /nfs/dbraw/zinc/73/12/07/900731207.db2.gz VYLDDPGLTUTXSJ-SKDRFNHKSA-N 2 2 293.371 -0.381 20 0 CBADLP C[C@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001392874442 900746848 /nfs/dbraw/zinc/74/68/48/900746848.db2.gz IRLBKJAGCNQEBC-WCQYABFASA-N 2 2 280.372 -0.076 20 0 CBADLP C[C@H](O)C[N@H+]1CC[C@@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001392874442 900746854 /nfs/dbraw/zinc/74/68/54/900746854.db2.gz IRLBKJAGCNQEBC-WCQYABFASA-N 2 2 280.372 -0.076 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CC[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001392881669 900749630 /nfs/dbraw/zinc/74/96/30/900749630.db2.gz WNNXXDFZLCTMCF-CHWSQXEVSA-N 2 2 296.415 -0.073 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CC[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001392881669 900749638 /nfs/dbraw/zinc/74/96/38/900749638.db2.gz WNNXXDFZLCTMCF-CHWSQXEVSA-N 2 2 296.415 -0.073 20 0 CBADLP CCNC(=O)C[NH2+]C1(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001392937965 900766118 /nfs/dbraw/zinc/76/61/18/900766118.db2.gz OODQJWNIEPWUQX-UHFFFAOYSA-N 2 2 279.344 -0.673 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCC1([NH2+][C@H](C)C(N)=O)CC1 ZINC001392948594 900767224 /nfs/dbraw/zinc/76/72/24/900767224.db2.gz MRCXPILXPGWJRB-SECBINFHSA-N 2 2 279.344 -0.627 20 0 CBADLP CC[C@@H](C(=O)N[C@]1(C)CC[N@H+](CC(N)=O)C1)[NH+](C)C ZINC001393115914 900797458 /nfs/dbraw/zinc/79/74/58/900797458.db2.gz OXSYKZRNJJPQTQ-GXFFZTMASA-N 2 2 270.377 -0.608 20 0 CBADLP CC[C@@H](C(=O)N[C@]1(C)CC[N@@H+](CC(N)=O)C1)[NH+](C)C ZINC001393115914 900797467 /nfs/dbraw/zinc/79/74/67/900797467.db2.gz OXSYKZRNJJPQTQ-GXFFZTMASA-N 2 2 270.377 -0.608 20 0 CBADLP C[NH+]1CCCC[C@H]1C(=O)NC[C@@]1(O)CC[N@@H+](CCF)C1 ZINC001393250506 900813424 /nfs/dbraw/zinc/81/34/24/900813424.db2.gz UCEDHYUUVMMUCS-JSGCOSHPSA-N 2 2 287.379 -0.007 20 0 CBADLP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@]1(O)CC[NH+](CCF)C1 ZINC001393250506 900813405 /nfs/dbraw/zinc/81/34/05/900813405.db2.gz UCEDHYUUVMMUCS-JSGCOSHPSA-N 2 2 287.379 -0.007 20 0 CBADLP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@]1(O)CC[NH+](CCF)C1 ZINC001393250506 900813412 /nfs/dbraw/zinc/81/34/12/900813412.db2.gz UCEDHYUUVMMUCS-JSGCOSHPSA-N 2 2 287.379 -0.007 20 0 CBADLP C[NH+]1CCCC[C@H]1C(=O)NC[C@@]1(O)CC[N@H+](CCF)C1 ZINC001393250506 900813419 /nfs/dbraw/zinc/81/34/19/900813419.db2.gz UCEDHYUUVMMUCS-JSGCOSHPSA-N 2 2 287.379 -0.007 20 0 CBADLP C[C@@H](O)C[N@@H+]1CC[C@](O)(CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001393256822 900818377 /nfs/dbraw/zinc/81/83/77/900818377.db2.gz SCFAESFCYYPHHG-RISCZKNCSA-N 2 2 296.371 -0.724 20 0 CBADLP C[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001393256822 900818381 /nfs/dbraw/zinc/81/83/81/900818381.db2.gz SCFAESFCYYPHHG-RISCZKNCSA-N 2 2 296.371 -0.724 20 0 CBADLP C[C@@H](O)C[N@@H+]1CC[C@](O)(CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001393256822 900818385 /nfs/dbraw/zinc/81/83/85/900818385.db2.gz SCFAESFCYYPHHG-RISCZKNCSA-N 2 2 296.371 -0.724 20 0 CBADLP C[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001393256822 900818389 /nfs/dbraw/zinc/81/83/89/900818389.db2.gz SCFAESFCYYPHHG-RISCZKNCSA-N 2 2 296.371 -0.724 20 0 CBADLP O=C(C[NH+]1CCCC1)NCC1(O)C[NH+](C[C@@H]2CCOC2)C1 ZINC001393356128 900845315 /nfs/dbraw/zinc/84/53/15/900845315.db2.gz YUPAFEHSZBTYMW-ZDUSSCGKSA-N 2 2 297.399 -0.718 20 0 CBADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001393360654 900846604 /nfs/dbraw/zinc/84/66/04/900846604.db2.gz SEWPDBIRFVZSDM-CYBMUJFWSA-N 2 2 299.415 -0.594 20 0 CBADLP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001393360654 900846612 /nfs/dbraw/zinc/84/66/12/900846612.db2.gz SEWPDBIRFVZSDM-CYBMUJFWSA-N 2 2 299.415 -0.594 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC2(O)C[NH+](CC(C)C)C2)C1 ZINC001393361679 900846796 /nfs/dbraw/zinc/84/67/96/900846796.db2.gz UMSDIFAYOJPEHG-CYBMUJFWSA-N 2 2 299.415 -0.474 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)NCC2(O)C[NH+](CC(C)C)C2)C1 ZINC001393361679 900846808 /nfs/dbraw/zinc/84/68/08/900846808.db2.gz UMSDIFAYOJPEHG-CYBMUJFWSA-N 2 2 299.415 -0.474 20 0 CBADLP CO[C@H](C)C[NH+]1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001393353521 900846888 /nfs/dbraw/zinc/84/68/88/900846888.db2.gz JMBLLLXJCMFOPK-NEPJUHHUSA-N 2 2 285.388 -0.864 20 0 CBADLP CO[C@H](C)C[NH+]1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001393353521 900846896 /nfs/dbraw/zinc/84/68/96/900846896.db2.gz JMBLLLXJCMFOPK-NEPJUHHUSA-N 2 2 285.388 -0.864 20 0 CBADLP CC[C@@H](C(=O)N[C@H]1COC2(C[NH+](CCCO)C2)C1)[NH+](C)C ZINC001393663008 900889777 /nfs/dbraw/zinc/88/97/77/900889777.db2.gz PSHMFQYEACNCJA-OLZOCXBDSA-N 2 2 299.415 -0.332 20 0 CBADLP CCC[N@H+](C)CC(=O)NC[C@@H]1CCC2(C[NH+](CCO)C2)O1 ZINC001393671393 900890602 /nfs/dbraw/zinc/89/06/02/900890602.db2.gz PXTUGLALUJKDSB-ZDUSSCGKSA-N 2 2 299.415 -0.330 20 0 CBADLP CCC[N@@H+](C)CC(=O)NC[C@@H]1CCC2(C[NH+](CCO)C2)O1 ZINC001393671393 900890611 /nfs/dbraw/zinc/89/06/11/900890611.db2.gz PXTUGLALUJKDSB-ZDUSSCGKSA-N 2 2 299.415 -0.330 20 0 CBADLP COCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC001393871327 900918731 /nfs/dbraw/zinc/91/87/31/900918731.db2.gz LFVKWGYQFHQUOR-ZIAGYGMSSA-N 2 2 299.415 -0.114 20 0 CBADLP COCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC001393871327 900918741 /nfs/dbraw/zinc/91/87/41/900918741.db2.gz LFVKWGYQFHQUOR-ZIAGYGMSSA-N 2 2 299.415 -0.114 20 0 CBADLP COCC[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001393871327 900918754 /nfs/dbraw/zinc/91/87/54/900918754.db2.gz LFVKWGYQFHQUOR-ZIAGYGMSSA-N 2 2 299.415 -0.114 20 0 CBADLP COCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC001393871325 900920894 /nfs/dbraw/zinc/92/08/94/900920894.db2.gz LFVKWGYQFHQUOR-UONOGXRCSA-N 2 2 299.415 -0.114 20 0 CBADLP COCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC001393871325 900920900 /nfs/dbraw/zinc/92/09/00/900920900.db2.gz LFVKWGYQFHQUOR-UONOGXRCSA-N 2 2 299.415 -0.114 20 0 CBADLP COCC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001393871325 900920908 /nfs/dbraw/zinc/92/09/08/900920908.db2.gz LFVKWGYQFHQUOR-UONOGXRCSA-N 2 2 299.415 -0.114 20 0 CBADLP C[C@H]([NH2+]CC1CC(NC(=O)CCc2c[nH]c[nH+]2)C1)C(N)=O ZINC001393898706 900926698 /nfs/dbraw/zinc/92/66/98/900926698.db2.gz IGVZNNZLNMSLCK-BMQDGWLCSA-N 2 2 293.371 -0.300 20 0 CBADLP C[C@H]([NH2+]CC1CC(NC(=O)CCc2c[nH+]c[nH]2)C1)C(N)=O ZINC001393898706 900926702 /nfs/dbraw/zinc/92/67/02/900926702.db2.gz IGVZNNZLNMSLCK-BMQDGWLCSA-N 2 2 293.371 -0.300 20 0 CBADLP C[C@@H]([NH2+]CC1CC(NC(=O)CCc2c[nH]c[nH+]2)C1)C(N)=O ZINC001393898707 900926773 /nfs/dbraw/zinc/92/67/73/900926773.db2.gz IGVZNNZLNMSLCK-GRZMOONWSA-N 2 2 293.371 -0.300 20 0 CBADLP C[C@@H]([NH2+]CC1CC(NC(=O)CCc2c[nH+]c[nH]2)C1)C(N)=O ZINC001393898707 900926782 /nfs/dbraw/zinc/92/67/82/900926782.db2.gz IGVZNNZLNMSLCK-GRZMOONWSA-N 2 2 293.371 -0.300 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+](C)[C@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001394091965 900969335 /nfs/dbraw/zinc/96/93/35/900969335.db2.gz KOXISSHMPJIQKF-ZYHUDNBSSA-N 2 2 295.387 -0.237 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001394091965 900969341 /nfs/dbraw/zinc/96/93/41/900969341.db2.gz KOXISSHMPJIQKF-ZYHUDNBSSA-N 2 2 295.387 -0.237 20 0 CBADLP COCC[NH+]1CC(CCO)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001394155093 900992379 /nfs/dbraw/zinc/99/23/79/900992379.db2.gz YQNPDOSIYBAOBM-CHWSQXEVSA-N 2 2 299.415 -0.474 20 0 CBADLP COCC[NH+]1CC(CCO)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001394155093 900992390 /nfs/dbraw/zinc/99/23/90/900992390.db2.gz YQNPDOSIYBAOBM-CHWSQXEVSA-N 2 2 299.415 -0.474 20 0 CBADLP NC(=O)C[N@@H+]1CCCCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001394212936 900996820 /nfs/dbraw/zinc/99/68/20/900996820.db2.gz SEUQBYGAAUBGAM-GFCCVEGCSA-N 2 2 293.371 -0.271 20 0 CBADLP NC(=O)C[N@H+]1CCCCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001394212936 900996831 /nfs/dbraw/zinc/99/68/31/900996831.db2.gz SEUQBYGAAUBGAM-GFCCVEGCSA-N 2 2 293.371 -0.271 20 0 CBADLP CNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001394487929 901037471 /nfs/dbraw/zinc/03/74/71/901037471.db2.gz CFPRTQJOPUOJIP-GMTAPVOTSA-N 2 2 293.371 -0.304 20 0 CBADLP O=C(NC[C@@H](CO)[NH2+]CC1CC1)[C@H]1CCn2cc[nH+]c2C1 ZINC001394608207 901086749 /nfs/dbraw/zinc/08/67/49/901086749.db2.gz QIUCEHSCNRNQHY-STQMWFEESA-N 2 2 292.383 -0.078 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H](CO)[NH2+]CCC(F)(F)F ZINC001394646878 901105945 /nfs/dbraw/zinc/10/59/45/901105945.db2.gz QYXMJIRVFMOCOM-QMMMGPOBSA-N 2 2 294.277 -0.029 20 0 CBADLP CC[C@@H](F)C[NH2+][C@@H](CO)CNC(=O)Cc1c[nH+]cn1C ZINC001394653847 901110364 /nfs/dbraw/zinc/11/03/64/901110364.db2.gz RCOUPDONOBQSHX-GHMZBOCLSA-N 2 2 286.351 -0.223 20 0 CBADLP CO[C@H](C)C[NH2+]C[C@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001394761265 901143721 /nfs/dbraw/zinc/14/37/21/901143721.db2.gz ZFXFSSUJVHXXQE-PWSUYJOCSA-N 2 2 284.360 -0.604 20 0 CBADLP COC[C@H](C)[N@H+](C)C[C@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001394786722 901154099 /nfs/dbraw/zinc/15/40/99/901154099.db2.gz SULXUHKMKFGQLX-AAEUAGOBSA-N 2 2 298.387 -0.262 20 0 CBADLP COC[C@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001394786722 901154109 /nfs/dbraw/zinc/15/41/09/901154109.db2.gz SULXUHKMKFGQLX-AAEUAGOBSA-N 2 2 298.387 -0.262 20 0 CBADLP COC[C@@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001394786725 901154870 /nfs/dbraw/zinc/15/48/70/901154870.db2.gz SULXUHKMKFGQLX-DGCLKSJQSA-N 2 2 298.387 -0.262 20 0 CBADLP COC[C@@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001394786725 901154877 /nfs/dbraw/zinc/15/48/77/901154877.db2.gz SULXUHKMKFGQLX-DGCLKSJQSA-N 2 2 298.387 -0.262 20 0 CBADLP CC[C@H](C(=O)N(CC[N@H+](C)CC(N)=O)C(C)C)[NH+](C)C ZINC001394805646 901157535 /nfs/dbraw/zinc/15/75/35/901157535.db2.gz JMDRMAHMBRWTEP-GFCCVEGCSA-N 2 2 286.420 -0.019 20 0 CBADLP CC[C@H](C(=O)N(CC[N@@H+](C)CC(N)=O)C(C)C)[NH+](C)C ZINC001394805646 901157540 /nfs/dbraw/zinc/15/75/40/901157540.db2.gz JMDRMAHMBRWTEP-GFCCVEGCSA-N 2 2 286.420 -0.019 20 0 CBADLP CN(C)C(=O)C[NH2+][C@H]1C[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001397132614 901368751 /nfs/dbraw/zinc/36/87/51/901368751.db2.gz ZZNLQFVTUKXEJS-XYPYZODXSA-N 2 2 293.371 -0.475 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001397481198 901418939 /nfs/dbraw/zinc/41/89/39/901418939.db2.gz CXYQPAMAIBMCEZ-LBPRGKRZSA-N 2 2 295.387 -0.156 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N[C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001397481198 901418946 /nfs/dbraw/zinc/41/89/46/901418946.db2.gz CXYQPAMAIBMCEZ-LBPRGKRZSA-N 2 2 295.387 -0.156 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001397571237 901432693 /nfs/dbraw/zinc/43/26/93/901432693.db2.gz PUNQFIDDFUDBBR-QWHCGFSZSA-N 2 2 296.415 -0.393 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001397571237 901432702 /nfs/dbraw/zinc/43/27/02/901432702.db2.gz PUNQFIDDFUDBBR-QWHCGFSZSA-N 2 2 296.415 -0.393 20 0 CBADLP CNC(=O)C[NH+]1CC[C@@H]1CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001397571237 901432712 /nfs/dbraw/zinc/43/27/12/901432712.db2.gz PUNQFIDDFUDBBR-QWHCGFSZSA-N 2 2 296.415 -0.393 20 0 CBADLP CNC(=O)C[NH+]1CC[C@@H]1CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001397571237 901432720 /nfs/dbraw/zinc/43/27/20/901432720.db2.gz PUNQFIDDFUDBBR-QWHCGFSZSA-N 2 2 296.415 -0.393 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001397571233 901432994 /nfs/dbraw/zinc/43/29/94/901432994.db2.gz PUNQFIDDFUDBBR-OLZOCXBDSA-N 2 2 296.415 -0.393 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001397571233 901433002 /nfs/dbraw/zinc/43/30/02/901433002.db2.gz PUNQFIDDFUDBBR-OLZOCXBDSA-N 2 2 296.415 -0.393 20 0 CBADLP CNC(=O)C[NH+]1CC[C@H]1CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001397571233 901433005 /nfs/dbraw/zinc/43/30/05/901433005.db2.gz PUNQFIDDFUDBBR-OLZOCXBDSA-N 2 2 296.415 -0.393 20 0 CBADLP CNC(=O)C[NH+]1CC[C@H]1CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001397571233 901433017 /nfs/dbraw/zinc/43/30/17/901433017.db2.gz PUNQFIDDFUDBBR-OLZOCXBDSA-N 2 2 296.415 -0.393 20 0 CBADLP C[C@@H]([NH2+][C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C1CC1)C(N)=O ZINC001398437422 901536565 /nfs/dbraw/zinc/53/65/65/901536565.db2.gz ANTYDUNHQGNLJD-KCJUWKMLSA-N 2 2 279.344 -0.690 20 0 CBADLP C[C@@H]([NH2+][C@H](CNC(=O)CCn1cc[nH+]c1)C1CC1)C(N)=O ZINC001398442004 901541208 /nfs/dbraw/zinc/54/12/08/901541208.db2.gz ZZNUFCSCDLGJIE-ZYHUDNBSSA-N 2 2 293.371 -0.369 20 0 CBADLP C[C@H]([NH2+][C@@H](CNC(=O)Cc1c[nH+]cn1C)C1CC1)C(N)=O ZINC001398442363 901541395 /nfs/dbraw/zinc/54/13/95/901541395.db2.gz APDCKNNUBGQFKN-CABZTGNLSA-N 2 2 293.371 -0.679 20 0 CBADLP C[C@@H](CC(=O)N[C@@H]1C[C@@H]([NH2+][C@@H](C)C(N)=O)C1)n1cc[nH+]c1 ZINC001398564027 901560663 /nfs/dbraw/zinc/56/06/63/901560663.db2.gz NPQYHENFMZGZMC-BJDJZHNGSA-N 2 2 293.371 -0.055 20 0 CBADLP C[NH+](C)CCCC(=O)NC1CN(C(=O)Cn2cc[nH+]c2)C1 ZINC001398682128 901588456 /nfs/dbraw/zinc/58/84/56/901588456.db2.gz OQRXJWVUSPNBJN-UHFFFAOYSA-N 2 2 293.371 -0.448 20 0 CBADLP CC[C@@H]([NH2+][C@@H](C)CNC(=O)CCn1cc[nH+]c1)C(N)=O ZINC001399048879 901659218 /nfs/dbraw/zinc/65/92/18/901659218.db2.gz QPBUDKASPAURLP-WDEREUQCSA-N 2 2 281.360 -0.369 20 0 CBADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CCS(C)(=O)=O ZINC001399151920 901674724 /nfs/dbraw/zinc/67/47/24/901674724.db2.gz CQWXENHHYCPTNY-SNVBAGLBSA-N 2 2 288.373 -0.978 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](C)[NH2+]Cc2ccon2)C1 ZINC001399166745 901677860 /nfs/dbraw/zinc/67/78/60/901677860.db2.gz WGFRTRNVGLDUAK-AAEUAGOBSA-N 2 2 296.371 -0.010 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@H](C)[NH2+]Cc2ccon2)C1 ZINC001399166745 901677864 /nfs/dbraw/zinc/67/78/64/901677864.db2.gz WGFRTRNVGLDUAK-AAEUAGOBSA-N 2 2 296.371 -0.010 20 0 CBADLP CC[C@@H](C)NC(=O)C[NH2+][C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001399156914 901678041 /nfs/dbraw/zinc/67/80/41/901678041.db2.gz IWYMDIUJQKEOJA-NEPJUHHUSA-N 2 2 295.387 -0.108 20 0 CBADLP C[C@@H](CCNC(=O)Cc1c[nH]c[nH+]1)[NH2+]Cc1nncn1C ZINC001399404499 901711524 /nfs/dbraw/zinc/71/15/24/901711524.db2.gz RSALABVLNAZVLX-JTQLQIEISA-N 2 2 291.359 -0.235 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NCC[C@@H](C)[NH2+][C@H]1CCNC1=O ZINC001399418134 901712086 /nfs/dbraw/zinc/71/20/86/901712086.db2.gz MPPKRBOPSULDHN-KOLCDFICSA-N 2 2 293.371 -0.366 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NCC[N@@H+](C)CC(=O)NC1CC1 ZINC001399649637 901768195 /nfs/dbraw/zinc/76/81/95/901768195.db2.gz ZWRVZCLTCGZCAJ-UHFFFAOYSA-N 2 2 293.371 -0.482 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NCC[N@H+](C)CC(=O)NC1CC1 ZINC001399649637 901768208 /nfs/dbraw/zinc/76/82/08/901768208.db2.gz ZWRVZCLTCGZCAJ-UHFFFAOYSA-N 2 2 293.371 -0.482 20 0 CBADLP CC[C@H](C)NC(=O)C[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001399657629 901771666 /nfs/dbraw/zinc/77/16/66/901771666.db2.gz RZQIGYGKHQRDHA-STQMWFEESA-N 2 2 298.431 -0.099 20 0 CBADLP CC[C@H](C)NC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001399657629 901771673 /nfs/dbraw/zinc/77/16/73/901771673.db2.gz RZQIGYGKHQRDHA-STQMWFEESA-N 2 2 298.431 -0.099 20 0 CBADLP CC[C@H](C)NC(=O)C[NH+](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001399657629 901771693 /nfs/dbraw/zinc/77/16/93/901771693.db2.gz RZQIGYGKHQRDHA-STQMWFEESA-N 2 2 298.431 -0.099 20 0 CBADLP CC[C@H](C)NC(=O)C[NH+](C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001399657629 901771710 /nfs/dbraw/zinc/77/17/10/901771710.db2.gz RZQIGYGKHQRDHA-STQMWFEESA-N 2 2 298.431 -0.099 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC[C@@H]1CCC[N@@H+]1CC(N)=O ZINC001399899343 901827758 /nfs/dbraw/zinc/82/77/58/901827758.db2.gz PUQJMWSYLVMQKM-NSHDSACASA-N 2 2 279.344 -0.743 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC[C@@H]1CCC[N@H+]1CC(N)=O ZINC001399899343 901827765 /nfs/dbraw/zinc/82/77/65/901827765.db2.gz PUQJMWSYLVMQKM-NSHDSACASA-N 2 2 279.344 -0.743 20 0 CBADLP CN(CC[NH2+][C@@H]1CCCNC1=O)C(=O)Cc1[nH]cc[nH+]1 ZINC001400066728 901872171 /nfs/dbraw/zinc/87/21/71/901872171.db2.gz PPFAOERGFQDZLV-SNVBAGLBSA-N 2 2 279.344 -0.721 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001400658026 901989527 /nfs/dbraw/zinc/98/95/27/901989527.db2.gz LUVAMWPKQYPENW-YPMHNXCESA-N 2 2 284.404 -0.491 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001400658026 901989536 /nfs/dbraw/zinc/98/95/36/901989536.db2.gz LUVAMWPKQYPENW-YPMHNXCESA-N 2 2 284.404 -0.491 20 0 CBADLP COC[C@@H](O)C[N@@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001400734735 902003211 /nfs/dbraw/zinc/00/32/11/902003211.db2.gz SPTOITKOWPARTJ-STQMWFEESA-N 2 2 296.371 -0.508 20 0 CBADLP COC[C@@H](O)C[N@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001400734735 902003220 /nfs/dbraw/zinc/00/32/20/902003220.db2.gz SPTOITKOWPARTJ-STQMWFEESA-N 2 2 296.371 -0.508 20 0 CBADLP CC[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+][C@H](C)C(=O)NC ZINC001400810973 902019276 /nfs/dbraw/zinc/01/92/76/902019276.db2.gz YUVDPEZTVISOTJ-MNOVXSKESA-N 2 2 295.387 -0.039 20 0 CBADLP CC[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH2+][C@H](C)C(=O)NC ZINC001400810973 902019288 /nfs/dbraw/zinc/01/92/88/902019288.db2.gz YUVDPEZTVISOTJ-MNOVXSKESA-N 2 2 295.387 -0.039 20 0 CBADLP CC[C@H](CNC(=O)c1cc(C[NH+](C)C)on1)[NH2+]CC(N)=O ZINC001400825026 902026621 /nfs/dbraw/zinc/02/66/21/902026621.db2.gz WFKZDCSDGREZDJ-SECBINFHSA-N 2 2 297.359 -0.681 20 0 CBADLP CC[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CCn1cncn1 ZINC001400868790 902033191 /nfs/dbraw/zinc/03/31/91/902033191.db2.gz UUNHIAWABRLUOJ-LLVKDONJSA-N 2 2 291.359 -0.272 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NC[C@@H]1C[N@H+](CCCO)CCO1 ZINC001401158719 902067297 /nfs/dbraw/zinc/06/72/97/902067297.db2.gz HPHKLSYOXZJKIF-CYBMUJFWSA-N 2 2 296.371 -0.609 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NC[C@@H]1C[N@@H+](CCCO)CCO1 ZINC001401158719 902067304 /nfs/dbraw/zinc/06/73/04/902067304.db2.gz HPHKLSYOXZJKIF-CYBMUJFWSA-N 2 2 296.371 -0.609 20 0 CBADLP CNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001401231213 902086064 /nfs/dbraw/zinc/08/60/64/902086064.db2.gz PUFYTBHRVUTJCU-HBNTYKKESA-N 2 2 293.371 -0.304 20 0 CBADLP CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)Cc1c[nH+]cn1C ZINC001401252460 902090877 /nfs/dbraw/zinc/09/08/77/902090877.db2.gz LHGZJYBWHVBUHC-NSHDSACASA-N 2 2 295.387 -0.465 20 0 CBADLP C[C@H](C[NH2+]CC(=O)NC1CC1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001401265253 902095337 /nfs/dbraw/zinc/09/53/37/902095337.db2.gz CASAMENLVCEBMD-LLVKDONJSA-N 2 2 293.371 -0.402 20 0 CBADLP CC(C)[C@@H](CNC(=O)CCn1cc[nH+]c1)[NH2+][C@H](C)C(N)=O ZINC001401341489 902106001 /nfs/dbraw/zinc/10/60/01/902106001.db2.gz SOVSXQIXGWXCIU-VXGBXAGGSA-N 2 2 295.387 -0.123 20 0 CBADLP CC(C)[C@H](CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[NH2+]CC(N)=O ZINC001401346322 902106235 /nfs/dbraw/zinc/10/62/35/902106235.db2.gz QENSAFPKTUWMSP-JQWIXIFHSA-N 2 2 295.387 -0.196 20 0 CBADLP CC(C)[C@H](CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[NH2+]CC(N)=O ZINC001401346322 902106247 /nfs/dbraw/zinc/10/62/47/902106247.db2.gz QENSAFPKTUWMSP-JQWIXIFHSA-N 2 2 295.387 -0.196 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC[C@H]([NH2+][C@@H](C)C(N)=O)C(C)C ZINC001401348272 902106378 /nfs/dbraw/zinc/10/63/78/902106378.db2.gz CGHYHPAAIKZMBS-JQWIXIFHSA-N 2 2 295.387 -0.204 20 0 CBADLP CC(C)[C@@H](CNC(=O)CCn1cc[nH+]c1)[NH2+][C@@H](C)C(N)=O ZINC001401341478 902106793 /nfs/dbraw/zinc/10/67/93/902106793.db2.gz SOVSXQIXGWXCIU-NWDGAFQWSA-N 2 2 295.387 -0.123 20 0 CBADLP CN(CC[N@H+](C)CC(=O)NC1CC1)C(=O)C[NH+]1CCCC1 ZINC001401432639 902123982 /nfs/dbraw/zinc/12/39/82/902123982.db2.gz ANGKPKPSBZLLFV-UHFFFAOYSA-N 2 2 296.415 -0.249 20 0 CBADLP CN(CC[N@@H+](C)CC(=O)NC1CC1)C(=O)C[NH+]1CCCC1 ZINC001401432639 902123988 /nfs/dbraw/zinc/12/39/88/902123988.db2.gz ANGKPKPSBZLLFV-UHFFFAOYSA-N 2 2 296.415 -0.249 20 0 CBADLP Cc1nc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CCC[N@H+]2C)co1 ZINC001401489750 902134683 /nfs/dbraw/zinc/13/46/83/902134683.db2.gz FQPSLUDGQSKIDO-OLZOCXBDSA-N 2 2 296.371 -0.356 20 0 CBADLP Cc1nc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CCC[N@@H+]2C)co1 ZINC001401489750 902134686 /nfs/dbraw/zinc/13/46/86/902134686.db2.gz FQPSLUDGQSKIDO-OLZOCXBDSA-N 2 2 296.371 -0.356 20 0 CBADLP Cc1cn(C(C)(C)C(=O)NC[C@@H](O)C[NH2+]C[C@H](C)O)c[nH+]1 ZINC001401548721 902163742 /nfs/dbraw/zinc/16/37/42/902163742.db2.gz YWMFEUZJGDSGLA-RYUDHWBXSA-N 2 2 298.387 -0.626 20 0 CBADLP Cc1nocc1C[NH2+]C[C@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001401573146 902172223 /nfs/dbraw/zinc/17/22/23/902172223.db2.gz LTUHLSNHKAXLPP-LBPRGKRZSA-N 2 2 293.327 -0.484 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]CC[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001401609883 902189875 /nfs/dbraw/zinc/18/98/75/902189875.db2.gz ORRROOIEGVHRPU-UWVGGRQHSA-N 2 2 281.360 -0.429 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001401659303 902211635 /nfs/dbraw/zinc/21/16/35/902211635.db2.gz QAWXFSCMECPJFH-MNOVXSKESA-N 2 2 295.387 -0.419 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001401725866 902244980 /nfs/dbraw/zinc/24/49/80/902244980.db2.gz XWVHCWSUWCZLDD-JTQLQIEISA-N 2 2 298.391 -0.957 20 0 CBADLP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001401725866 902244989 /nfs/dbraw/zinc/24/49/89/902244989.db2.gz XWVHCWSUWCZLDD-JTQLQIEISA-N 2 2 298.391 -0.957 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+]1CC[C@H]1CNC(=O)CC[NH+](C)CC ZINC001401923707 902311583 /nfs/dbraw/zinc/31/15/83/902311583.db2.gz LUXIGMPSHIPSNQ-RYUDHWBXSA-N 2 2 284.404 -0.217 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+]1CC[C@H]1CNC(=O)CC[NH+](C)CC ZINC001401923707 902311591 /nfs/dbraw/zinc/31/15/91/902311591.db2.gz LUXIGMPSHIPSNQ-RYUDHWBXSA-N 2 2 284.404 -0.217 20 0 CBADLP CC[C@@H](C(N)=O)[NH+]1CC[C@H]1CNC(=O)CC[N@H+](C)CC ZINC001401923707 902311600 /nfs/dbraw/zinc/31/16/00/902311600.db2.gz LUXIGMPSHIPSNQ-RYUDHWBXSA-N 2 2 284.404 -0.217 20 0 CBADLP CC[C@@H](C(N)=O)[NH+]1CC[C@H]1CNC(=O)CC[N@@H+](C)CC ZINC001401923707 902311614 /nfs/dbraw/zinc/31/16/14/902311614.db2.gz LUXIGMPSHIPSNQ-RYUDHWBXSA-N 2 2 284.404 -0.217 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]Cc2cnon2)CC1 ZINC001401967978 902325940 /nfs/dbraw/zinc/32/59/40/902325940.db2.gz COGOYBIDTMNKAC-LLVKDONJSA-N 2 2 279.344 -0.098 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]Cc2cnon2)CC1 ZINC001401967978 902325955 /nfs/dbraw/zinc/32/59/55/902325955.db2.gz COGOYBIDTMNKAC-LLVKDONJSA-N 2 2 279.344 -0.098 20 0 CBADLP CC(C)NC(=O)C[NH2+]C1(CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001401974053 902326043 /nfs/dbraw/zinc/32/60/43/902326043.db2.gz WONSLBRIEDQLIR-UHFFFAOYSA-N 2 2 293.371 -0.285 20 0 CBADLP CC[C@@H]([NH2+]C1(CNC(=O)Cn2cc[nH+]c2)CC1)C(N)=O ZINC001401982017 902332336 /nfs/dbraw/zinc/33/23/36/902332336.db2.gz CWZVWEXCYVXILU-SNVBAGLBSA-N 2 2 279.344 -0.615 20 0 CBADLP CN(C(=O)CCC[NH+](C)C)C1C[NH+](CCn2cncn2)C1 ZINC001402031673 902344172 /nfs/dbraw/zinc/34/41/72/902344172.db2.gz TVIUDXPYDQHMSH-UHFFFAOYSA-N 2 2 294.403 -0.238 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC[C@]1(O)CC[N@H+](CCCF)C1 ZINC001402322472 902421344 /nfs/dbraw/zinc/42/13/44/902421344.db2.gz VUILOCFPZLBSCR-CQSZACIVSA-N 2 2 298.362 -0.125 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC[C@]1(O)CC[N@@H+](CCCF)C1 ZINC001402322472 902421351 /nfs/dbraw/zinc/42/13/51/902421351.db2.gz VUILOCFPZLBSCR-CQSZACIVSA-N 2 2 298.362 -0.125 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001402436610 902448458 /nfs/dbraw/zinc/44/84/58/902448458.db2.gz NRXRJGNHYRFVEV-JQWIXIFHSA-N 2 2 293.371 -0.333 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001402436610 902448462 /nfs/dbraw/zinc/44/84/62/902448462.db2.gz NRXRJGNHYRFVEV-JQWIXIFHSA-N 2 2 293.371 -0.333 20 0 CBADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@]1(CO)CCC[NH+](CCO)C1 ZINC001402476222 902463582 /nfs/dbraw/zinc/46/35/82/902463582.db2.gz YQBWWBLOIRCGAC-DZGCQCFKSA-N 2 2 299.415 -0.594 20 0 CBADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@]1(CO)CCC[NH+](CCO)C1 ZINC001402476222 902463584 /nfs/dbraw/zinc/46/35/84/902463584.db2.gz YQBWWBLOIRCGAC-DZGCQCFKSA-N 2 2 299.415 -0.594 20 0 CBADLP C[NH+]1CCCC[C@H]1C(=O)N[C@]1(CO)CCC[N@H+](CCO)C1 ZINC001402476222 902463588 /nfs/dbraw/zinc/46/35/88/902463588.db2.gz YQBWWBLOIRCGAC-DZGCQCFKSA-N 2 2 299.415 -0.594 20 0 CBADLP C[NH+]1CCCC[C@H]1C(=O)N[C@]1(CO)CCC[N@@H+](CCO)C1 ZINC001402476222 902463592 /nfs/dbraw/zinc/46/35/92/902463592.db2.gz YQBWWBLOIRCGAC-DZGCQCFKSA-N 2 2 299.415 -0.594 20 0 CBADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@]1(CO)CCC[NH+](CCO)C1 ZINC001402476229 902464125 /nfs/dbraw/zinc/46/41/25/902464125.db2.gz YQBWWBLOIRCGAC-ZFWWWQNUSA-N 2 2 299.415 -0.594 20 0 CBADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@@]1(CO)CCC[NH+](CCO)C1 ZINC001402476229 902464131 /nfs/dbraw/zinc/46/41/31/902464131.db2.gz YQBWWBLOIRCGAC-ZFWWWQNUSA-N 2 2 299.415 -0.594 20 0 CBADLP C[NH+]1CCCC[C@H]1C(=O)N[C@@]1(CO)CCC[N@H+](CCO)C1 ZINC001402476229 902464136 /nfs/dbraw/zinc/46/41/36/902464136.db2.gz YQBWWBLOIRCGAC-ZFWWWQNUSA-N 2 2 299.415 -0.594 20 0 CBADLP C[NH+]1CCCC[C@H]1C(=O)N[C@@]1(CO)CCC[N@@H+](CCO)C1 ZINC001402476229 902464142 /nfs/dbraw/zinc/46/41/42/902464142.db2.gz YQBWWBLOIRCGAC-ZFWWWQNUSA-N 2 2 299.415 -0.594 20 0 CBADLP CNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001402529669 902472285 /nfs/dbraw/zinc/47/22/85/902472285.db2.gz LVSVKHCAGROACF-GFCCVEGCSA-N 2 2 293.371 -0.400 20 0 CBADLP CNC(=O)C[NH2+]C1(C)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001402788345 902517571 /nfs/dbraw/zinc/51/75/71/902517571.db2.gz QOVZSWRFPLVZNW-UHFFFAOYSA-N 2 2 293.371 -0.400 20 0 CBADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001458137675 914631971 /nfs/dbraw/zinc/63/19/71/914631971.db2.gz WTOIFNRMPNXNES-GHMZBOCLSA-N 2 2 293.371 -0.475 20 0 CBADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001458137675 914631990 /nfs/dbraw/zinc/63/19/90/914631990.db2.gz WTOIFNRMPNXNES-GHMZBOCLSA-N 2 2 293.371 -0.475 20 0 CBADLP C[C@@H]1C[C@@H](NC(=O)CCn2cc[nH+]c2)CC[N@@H+]1CC(N)=O ZINC001402831315 902527850 /nfs/dbraw/zinc/52/78/50/902527850.db2.gz YWWVLAUHYFCICX-NEPJUHHUSA-N 2 2 293.371 -0.272 20 0 CBADLP C[C@@H]1C[C@@H](NC(=O)CCn2cc[nH+]c2)CC[N@H+]1CC(N)=O ZINC001402831315 902527859 /nfs/dbraw/zinc/52/78/59/902527859.db2.gz YWWVLAUHYFCICX-NEPJUHHUSA-N 2 2 293.371 -0.272 20 0 CBADLP Cc1cn(C(C)(C)C(=O)NC[C@@H](C)[NH2+][C@@H](C)C(N)=O)c[nH+]1 ZINC001402927994 902563319 /nfs/dbraw/zinc/56/33/19/902563319.db2.gz XGRPDUNZVNTVQR-KOLCDFICSA-N 2 2 295.387 -0.105 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NC[C@H](C)[NH2+]Cc1cn(C)nn1 ZINC001402944524 902569057 /nfs/dbraw/zinc/56/90/57/902569057.db2.gz FBBAYZRUTPQHDD-JTQLQIEISA-N 2 2 291.359 -0.385 20 0 CBADLP C[C@@H](CNC(=O)CCn1cc[nH+]c1)[NH2+][C@H]1CCNC1=O ZINC001402989409 902584415 /nfs/dbraw/zinc/58/44/15/902584415.db2.gz VPXXLHNRFSRACR-QWRGUYRKSA-N 2 2 279.344 -0.744 20 0 CBADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@@H](C)C(=O)N(C)C ZINC001403051575 902603537 /nfs/dbraw/zinc/60/35/37/902603537.db2.gz GORGATVHESDFRK-ZJUUUORDSA-N 2 2 281.360 -0.477 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)[NH2+]CC(=O)N(C)C ZINC001403100053 902616421 /nfs/dbraw/zinc/61/64/21/902616421.db2.gz RFKYXFBANLVPFK-VIFPVBQESA-N 2 2 281.360 -0.557 20 0 CBADLP CC[C@H](C(N)=O)[N@H+](C)[C@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001403133954 902628113 /nfs/dbraw/zinc/62/81/13/902628113.db2.gz DMEGCWRTALDEME-ZYHUDNBSSA-N 2 2 295.387 -0.108 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+](C)[C@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001403133954 902628117 /nfs/dbraw/zinc/62/81/17/902628117.db2.gz DMEGCWRTALDEME-ZYHUDNBSSA-N 2 2 295.387 -0.108 20 0 CBADLP COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001403193104 902645387 /nfs/dbraw/zinc/64/53/87/902645387.db2.gz YFSUIRKLRUPSPE-WDEREUQCSA-N 2 2 282.344 -0.850 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+](C)[C@@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001403206935 902646868 /nfs/dbraw/zinc/64/68/68/902646868.db2.gz UXXIYVQGPBMOQW-JQWIXIFHSA-N 2 2 295.387 -0.108 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+](C)[C@@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001403206935 902646876 /nfs/dbraw/zinc/64/68/76/902646876.db2.gz UXXIYVQGPBMOQW-JQWIXIFHSA-N 2 2 295.387 -0.108 20 0 CBADLP C[N@@H+]1CCC[C@H]1CCC(=O)NC1(CCO)C[NH+](CCO)C1 ZINC001403214612 902650019 /nfs/dbraw/zinc/65/00/19/902650019.db2.gz RNZJIFQGBMBLDM-ZDUSSCGKSA-N 2 2 299.415 -0.594 20 0 CBADLP C[N@H+]1CCC[C@H]1CCC(=O)NC1(CCO)C[NH+](CCO)C1 ZINC001403214612 902650027 /nfs/dbraw/zinc/65/00/27/902650027.db2.gz RNZJIFQGBMBLDM-ZDUSSCGKSA-N 2 2 299.415 -0.594 20 0 CBADLP C[C@H]([NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1)C(N)=O ZINC001403279813 902663425 /nfs/dbraw/zinc/66/34/25/902663425.db2.gz ZDPSTHBIEGTRQH-WDEREUQCSA-N 2 2 279.344 -0.805 20 0 CBADLP CC[C@H](C(=O)N[C@H]1C[N@H+](CC(=O)NC)CC1(C)C)[NH+](C)C ZINC001403370571 902678954 /nfs/dbraw/zinc/67/89/54/902678954.db2.gz WCBWMZVYTZAJPT-NEPJUHHUSA-N 2 2 298.431 -0.101 20 0 CBADLP CC[C@H](C(=O)N[C@H]1C[N@@H+](CC(=O)NC)CC1(C)C)[NH+](C)C ZINC001403370571 902678960 /nfs/dbraw/zinc/67/89/60/902678960.db2.gz WCBWMZVYTZAJPT-NEPJUHHUSA-N 2 2 298.431 -0.101 20 0 CBADLP C[C@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+]CC(=O)NC1CC1 ZINC001403487424 902698279 /nfs/dbraw/zinc/69/82/79/902698279.db2.gz NXTXLTGMMZQXMH-LLVKDONJSA-N 2 2 293.371 -0.354 20 0 CBADLP CN(C(=O)Cc1[nH]cc[nH+]1)[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001403517711 902713401 /nfs/dbraw/zinc/71/34/01/902713401.db2.gz FLNGOOQWEFBTTB-SNVBAGLBSA-N 2 2 279.344 -0.736 20 0 CBADLP C[C@@H](CN(C)C(=O)c1cccc2[nH+]ccn21)[NH2+]CC(N)=O ZINC001403579860 902739526 /nfs/dbraw/zinc/73/95/26/902739526.db2.gz GAYGOFXRAUHELW-JTQLQIEISA-N 2 2 289.339 -0.130 20 0 CBADLP C[C@@H](O)C[N@H+](C)CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001403612547 902751878 /nfs/dbraw/zinc/75/18/78/902751878.db2.gz KRXRBCVLQURNBJ-VXGBXAGGSA-N 2 2 280.372 -0.126 20 0 CBADLP C[C@@H](O)C[N@@H+](C)CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001403612547 902751887 /nfs/dbraw/zinc/75/18/87/902751887.db2.gz KRXRBCVLQURNBJ-VXGBXAGGSA-N 2 2 280.372 -0.126 20 0 CBADLP C[C@@H](CN(C)C(=O)Cc1[nH]cc[nH+]1)[NH2+][C@@H]1CCN(C)C1=O ZINC001403616824 902753516 /nfs/dbraw/zinc/75/35/16/902753516.db2.gz UHGFJURFHVZRFP-WDEREUQCSA-N 2 2 293.371 -0.381 20 0 CBADLP C[C@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+][C@@H]1CCNC1=O ZINC001403632180 902761511 /nfs/dbraw/zinc/76/15/11/902761511.db2.gz OUMMWBOTEDDPHE-GHMZBOCLSA-N 2 2 279.344 -0.792 20 0 CBADLP CC[NH2+][C@H](CO)CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001403666449 902789666 /nfs/dbraw/zinc/78/96/66/902789666.db2.gz IFZMPLRIVOIHIS-GWCFXTLKSA-N 2 2 295.387 -0.123 20 0 CBADLP CC[NH2+][C@H](CO)CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001403666449 902789675 /nfs/dbraw/zinc/78/96/75/902789675.db2.gz IFZMPLRIVOIHIS-GWCFXTLKSA-N 2 2 295.387 -0.123 20 0 CBADLP CNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001403696186 902807544 /nfs/dbraw/zinc/80/75/44/902807544.db2.gz IOBMJRQHSCOOFF-STQMWFEESA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001403696186 902807557 /nfs/dbraw/zinc/80/75/57/902807557.db2.gz IOBMJRQHSCOOFF-STQMWFEESA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[NH+](C)CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001403696186 902807566 /nfs/dbraw/zinc/80/75/66/902807566.db2.gz IOBMJRQHSCOOFF-STQMWFEESA-N 2 2 296.415 -0.203 20 0 CBADLP CNC(=O)C[NH+](C)CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001403696186 902807571 /nfs/dbraw/zinc/80/75/71/902807571.db2.gz IOBMJRQHSCOOFF-STQMWFEESA-N 2 2 296.415 -0.203 20 0 CBADLP C[C@H](F)CC[NH2+][C@H](CO)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001403713671 902818656 /nfs/dbraw/zinc/81/86/56/902818656.db2.gz IFIMBNGUTDKVFG-UWVGGRQHSA-N 2 2 272.324 -0.233 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@H](CO)[NH2+]CCC(F)(F)F ZINC001403753994 902836417 /nfs/dbraw/zinc/83/64/17/902836417.db2.gz UCUJFGPYJJGXEL-SECBINFHSA-N 2 2 294.277 -0.098 20 0 CBADLP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH+](C)[C@@H](C)C(N)=O ZINC001403793840 902852610 /nfs/dbraw/zinc/85/26/10/902852610.db2.gz TXLPPMWLHUKRGC-RYUDHWBXSA-N 2 2 284.404 -0.217 20 0 CBADLP CC[N@H+]1CCCC[C@H]1C(=O)NCC[NH+](C)[C@@H](C)C(N)=O ZINC001403793840 902852622 /nfs/dbraw/zinc/85/26/22/902852622.db2.gz TXLPPMWLHUKRGC-RYUDHWBXSA-N 2 2 284.404 -0.217 20 0 CBADLP CC[NH+]1CCCC[C@H]1C(=O)NCC[N@H+](C)[C@@H](C)C(N)=O ZINC001403793840 902852636 /nfs/dbraw/zinc/85/26/36/902852636.db2.gz TXLPPMWLHUKRGC-RYUDHWBXSA-N 2 2 284.404 -0.217 20 0 CBADLP CC[NH+]1CCCC[C@H]1C(=O)NCC[N@@H+](C)[C@@H](C)C(N)=O ZINC001403793840 902852647 /nfs/dbraw/zinc/85/26/47/902852647.db2.gz TXLPPMWLHUKRGC-RYUDHWBXSA-N 2 2 284.404 -0.217 20 0 CBADLP C[C@H](O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001403893681 902897529 /nfs/dbraw/zinc/89/75/29/902897529.db2.gz ANTRXPFNNFGVKG-WCQYABFASA-N 2 2 298.387 -0.906 20 0 CBADLP C[C@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001403893681 902897540 /nfs/dbraw/zinc/89/75/40/902897540.db2.gz ANTRXPFNNFGVKG-WCQYABFASA-N 2 2 298.387 -0.906 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)NC[C@@H]1CCC[N@@H+]1CCO ZINC001404001873 902919895 /nfs/dbraw/zinc/91/98/95/902919895.db2.gz NBIILMBGGUPETA-LBPRGKRZSA-N 2 2 280.372 -0.074 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)NC[C@@H]1CCC[N@H+]1CCO ZINC001404001873 902919908 /nfs/dbraw/zinc/91/99/08/902919908.db2.gz NBIILMBGGUPETA-LBPRGKRZSA-N 2 2 280.372 -0.074 20 0 CBADLP C[NH+](C)C1(C(=O)NC[C@@H]2CCC[N@@H+]2CC(N)=O)CCC1 ZINC001403989656 902922468 /nfs/dbraw/zinc/92/24/68/902922468.db2.gz LILKJWVICLQFHZ-NSHDSACASA-N 2 2 282.388 -0.463 20 0 CBADLP C[NH+](C)C1(C(=O)NC[C@@H]2CCC[N@H+]2CC(N)=O)CCC1 ZINC001403989656 902922478 /nfs/dbraw/zinc/92/24/78/902922478.db2.gz LILKJWVICLQFHZ-NSHDSACASA-N 2 2 282.388 -0.463 20 0 CBADLP CNC(=O)C[NH2+]C1CC(N(C)C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001404025851 902923767 /nfs/dbraw/zinc/92/37/67/902923767.db2.gz WUJRCEQIXBBSNT-UHFFFAOYSA-N 2 2 279.344 -0.723 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CCC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001404005764 902924702 /nfs/dbraw/zinc/92/47/02/902924702.db2.gz UFXTVQVXJROVMS-NEPJUHHUSA-N 2 2 293.371 -0.272 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CCC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001404005764 902924715 /nfs/dbraw/zinc/92/47/15/902924715.db2.gz UFXTVQVXJROVMS-NEPJUHHUSA-N 2 2 293.371 -0.272 20 0 CBADLP C[C@H]([NH2+]C1CC(N(C)C(=O)CCn2cc[nH+]c2)C1)C(N)=O ZINC001404007592 902926991 /nfs/dbraw/zinc/92/69/91/902926991.db2.gz FIXQUBMMWUYEFZ-UNXYVOJBSA-N 2 2 293.371 -0.274 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)NCC[N@H+](CCO)C1CC1 ZINC001404285249 902963937 /nfs/dbraw/zinc/96/39/37/902963937.db2.gz PJJFZXCDPMOPML-UHFFFAOYSA-N 2 2 280.372 -0.074 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)NCC[N@@H+](CCO)C1CC1 ZINC001404285249 902963950 /nfs/dbraw/zinc/96/39/50/902963950.db2.gz PJJFZXCDPMOPML-UHFFFAOYSA-N 2 2 280.372 -0.074 20 0 CBADLP C[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1)C(N)=O ZINC001404306973 902966622 /nfs/dbraw/zinc/96/66/22/902966622.db2.gz AGNWHGCUUWJAJR-GHMZBOCLSA-N 2 2 293.371 -0.633 20 0 CBADLP CCN1CC[C@H]([NH2+]CCN(C)C(=O)Cc2c[nH+]c[nH]2)C1=O ZINC001404310669 902971229 /nfs/dbraw/zinc/97/12/29/902971229.db2.gz CHRDTNPFZGJGEG-LBPRGKRZSA-N 2 2 293.371 -0.379 20 0 CBADLP CN(CC[NH2+][C@@H]1CCN(C)C1=O)C(=O)Cn1cc[nH+]c1 ZINC001404325394 902975434 /nfs/dbraw/zinc/97/54/34/902975434.db2.gz LPLPFOIRCIJJDV-LLVKDONJSA-N 2 2 279.344 -0.838 20 0 CBADLP CC[C@H]([NH2+]CCN(C)C(=O)Cc1[nH]c[nH+]c1C)C(N)=O ZINC001404334897 902976485 /nfs/dbraw/zinc/97/64/85/902976485.db2.gz CLSBMYGMLJKIOF-JTQLQIEISA-N 2 2 281.360 -0.427 20 0 CBADLP COC[C@@H](O)C[NH+]1CC(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001404762186 903024789 /nfs/dbraw/zinc/02/47/89/903024789.db2.gz BQCJLHPPNAWTAO-KBPBESRZSA-N 2 2 297.399 -0.864 20 0 CBADLP CNC(=O)C[NH+]1CC(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001404923262 903054022 /nfs/dbraw/zinc/05/40/22/903054022.db2.gz APEJAOJTBNXSMI-RYUDHWBXSA-N 2 2 296.415 -0.347 20 0 CBADLP CC[N@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[NH+]2[C@H](C)C(N)=O ZINC001404981009 903066031 /nfs/dbraw/zinc/06/60/31/903066031.db2.gz QEZORVAOXVUZKW-WOPDTQHZSA-N 2 2 282.388 -0.513 20 0 CBADLP CC[N@@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[NH+]2[C@H](C)C(N)=O ZINC001404981009 903066042 /nfs/dbraw/zinc/06/60/42/903066042.db2.gz QEZORVAOXVUZKW-WOPDTQHZSA-N 2 2 282.388 -0.513 20 0 CBADLP CC[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H](C)C(N)=O ZINC001404981009 903066057 /nfs/dbraw/zinc/06/60/57/903066057.db2.gz QEZORVAOXVUZKW-WOPDTQHZSA-N 2 2 282.388 -0.513 20 0 CBADLP CC[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H](C)C(N)=O ZINC001404981009 903066067 /nfs/dbraw/zinc/06/60/67/903066067.db2.gz QEZORVAOXVUZKW-WOPDTQHZSA-N 2 2 282.388 -0.513 20 0 CBADLP CNC(=O)C[NH2+]C[C@](C)(NC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001405493229 903171957 /nfs/dbraw/zinc/17/19/57/903171957.db2.gz FYHMFGKFBBVSFI-AWEZNQCLSA-N 2 2 293.371 -0.427 20 0 CBADLP CC[C@H]([NH2+]C[C@@H](C)CNC(=O)Cc1c[nH]c[nH+]1)C(N)=O ZINC001405696360 903204346 /nfs/dbraw/zinc/20/43/46/903204346.db2.gz PXCHNQZPUMNJOY-KOLCDFICSA-N 2 2 281.360 -0.442 20 0 CBADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+]Cc1nncn1C ZINC001405722945 903208776 /nfs/dbraw/zinc/20/87/76/903208776.db2.gz VNHHIQMOUKHVEG-NSHDSACASA-N 2 2 291.359 -0.446 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)CCn1cc[nH+]c1 ZINC001405845999 903231620 /nfs/dbraw/zinc/23/16/20/903231620.db2.gz DFFKVQFTQPMSPF-LLVKDONJSA-N 2 2 281.360 -0.544 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]CC[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001406304455 903350343 /nfs/dbraw/zinc/35/03/43/903350343.db2.gz CMTCAXPVLBTVMT-NWDGAFQWSA-N 2 2 295.387 -0.108 20 0 CBADLP CCN(CC[NH2+][C@H](C)C(N)=O)C(=O)CCc1[nH+]ccn1C ZINC001406321169 903355409 /nfs/dbraw/zinc/35/54/09/903355409.db2.gz ZMWNJLFNAZRTAZ-LLVKDONJSA-N 2 2 295.387 -0.335 20 0 CBADLP CCN(CC[NH2+][C@H](C)C(=O)NC)C(=O)Cc1[nH]c[nH+]c1C ZINC001406345939 903370116 /nfs/dbraw/zinc/37/01/16/903370116.db2.gz ZLNRBVPQWZTNBJ-LLVKDONJSA-N 2 2 295.387 -0.167 20 0 CBADLP C[C@H](C[NH2+]CC(=O)NC1CC1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001406359947 903373169 /nfs/dbraw/zinc/37/31/69/903373169.db2.gz DJCJWDVGRCQIIH-SNVBAGLBSA-N 2 2 293.371 -0.285 20 0 CBADLP C[C@H](C[NH2+]CC(=O)NC1CC1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001406359947 903373178 /nfs/dbraw/zinc/37/31/78/903373178.db2.gz DJCJWDVGRCQIIH-SNVBAGLBSA-N 2 2 293.371 -0.285 20 0 CBADLP C[C@H](C[N@H+](C)CC(N)=O)NC(=O)[C@H]1CCCC[NH+]1C ZINC001406614201 903447066 /nfs/dbraw/zinc/44/70/66/903447066.db2.gz HAHWFZKDQUPTIB-GHMZBOCLSA-N 2 2 270.377 -0.608 20 0 CBADLP C[C@H](C[N@@H+](C)CC(N)=O)NC(=O)[C@H]1CCCC[NH+]1C ZINC001406614201 903447076 /nfs/dbraw/zinc/44/70/76/903447076.db2.gz HAHWFZKDQUPTIB-GHMZBOCLSA-N 2 2 270.377 -0.608 20 0 CBADLP C[C@H](C[NH+](C)CC(N)=O)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001406614201 903447089 /nfs/dbraw/zinc/44/70/89/903447089.db2.gz HAHWFZKDQUPTIB-GHMZBOCLSA-N 2 2 270.377 -0.608 20 0 CBADLP C[C@H](C[NH+](C)CC(N)=O)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001406614201 903447097 /nfs/dbraw/zinc/44/70/97/903447097.db2.gz HAHWFZKDQUPTIB-GHMZBOCLSA-N 2 2 270.377 -0.608 20 0 CBADLP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)CC(N)=O ZINC001406613081 903448164 /nfs/dbraw/zinc/44/81/64/903448164.db2.gz PQHNLAUSPJIABM-NEPJUHHUSA-N 2 2 284.404 -0.219 20 0 CBADLP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)CC(N)=O ZINC001406613081 903448156 /nfs/dbraw/zinc/44/81/56/903448156.db2.gz PQHNLAUSPJIABM-NEPJUHHUSA-N 2 2 284.404 -0.219 20 0 CBADLP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)CC(N)=O ZINC001406613081 903448161 /nfs/dbraw/zinc/44/81/61/903448161.db2.gz PQHNLAUSPJIABM-NEPJUHHUSA-N 2 2 284.404 -0.219 20 0 CBADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)CC(N)=O ZINC001406613081 903448169 /nfs/dbraw/zinc/44/81/69/903448169.db2.gz PQHNLAUSPJIABM-NEPJUHHUSA-N 2 2 284.404 -0.219 20 0 CBADLP C[C@H](C[N@H+](C)[C@H]1CCNC1=O)NC(=O)CCn1cc[nH+]c1 ZINC001406644472 903454256 /nfs/dbraw/zinc/45/42/56/903454256.db2.gz LOJYAMWBTIPZPY-NEPJUHHUSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@H](C[N@@H+](C)[C@H]1CCNC1=O)NC(=O)CCn1cc[nH+]c1 ZINC001406644472 903454268 /nfs/dbraw/zinc/45/42/68/903454268.db2.gz LOJYAMWBTIPZPY-NEPJUHHUSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@@H](C[N@H+](C)CCn1cncn1)NC(=O)Cn1cc[nH+]c1 ZINC001406689471 903462335 /nfs/dbraw/zinc/46/23/35/903462335.db2.gz FWSZWJJZQWJUKQ-LBPRGKRZSA-N 2 2 291.359 -0.389 20 0 CBADLP C[C@@H](C[N@@H+](C)CCn1cncn1)NC(=O)Cn1cc[nH+]c1 ZINC001406689471 903462345 /nfs/dbraw/zinc/46/23/45/903462345.db2.gz FWSZWJJZQWJUKQ-LBPRGKRZSA-N 2 2 291.359 -0.389 20 0 CBADLP NC(=O)C[NH2+]C[C@H](NC(=O)Cc1c[nH]c[nH+]1)C1CCCC1 ZINC001407137901 903547806 /nfs/dbraw/zinc/54/78/06/903547806.db2.gz CWDVTAFNHYMSCG-LBPRGKRZSA-N 2 2 293.371 -0.298 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)NCC1([NH2+]CCO)CCOCC1 ZINC001407326679 903569014 /nfs/dbraw/zinc/56/90/14/903569014.db2.gz XGDYQLGPEXBGOR-UHFFFAOYSA-N 2 2 296.371 -0.410 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)NCC1([NH2+]CCO)CCOCC1 ZINC001407326679 903569020 /nfs/dbraw/zinc/56/90/20/903569020.db2.gz XGDYQLGPEXBGOR-UHFFFAOYSA-N 2 2 296.371 -0.410 20 0 CBADLP C[NH+](C)CCCC(=O)NCC1(O)C[NH+](CCCF)C1 ZINC001407445921 903610525 /nfs/dbraw/zinc/61/05/25/903610525.db2.gz ZFYPXWCHVWKUNL-UHFFFAOYSA-N 2 2 275.368 -0.149 20 0 CBADLP COC[C@H](C)[NH+]1CC(O)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001407470538 903612781 /nfs/dbraw/zinc/61/27/81/903612781.db2.gz ODWSWVLILCKOMO-NSHDSACASA-N 2 2 296.371 -0.611 20 0 CBADLP COCC[NH+]1CCC(CO)(NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001408282300 903742503 /nfs/dbraw/zinc/74/25/03/903742503.db2.gz MQYDKVXXZHMJNH-UHFFFAOYSA-N 2 2 296.371 -0.458 20 0 CBADLP CCNC(=O)C[NH2+]CC1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC001409273822 903872707 /nfs/dbraw/zinc/87/27/07/903872707.db2.gz DVBURDVHVGHOLD-UHFFFAOYSA-N 2 2 293.371 -0.496 20 0 CBADLP CCNC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001409350128 903888244 /nfs/dbraw/zinc/88/82/44/903888244.db2.gz CPIGYVJYSNTEFK-VHSXEESVSA-N 2 2 281.360 -0.429 20 0 CBADLP CCNC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001409350047 903889430 /nfs/dbraw/zinc/88/94/30/903889430.db2.gz CPIGYVJYSNTEFK-UWVGGRQHSA-N 2 2 281.360 -0.429 20 0 CBADLP CC[C@@H](CNC(=O)CC[NH+](C)C)NC(=O)Cn1cc[nH+]c1 ZINC001409408120 903898290 /nfs/dbraw/zinc/89/82/90/903898290.db2.gz XRKQCPGGRDGOBW-LBPRGKRZSA-N 2 2 295.387 -0.154 20 0 CBADLP C[C@@H]([NH2+]CC(=O)NC1CC1)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001409465650 903904649 /nfs/dbraw/zinc/90/46/49/903904649.db2.gz KIBOPKPRQGDNAL-MNOVXSKESA-N 2 2 293.371 -0.356 20 0 CBADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CC(N)=O ZINC001409556186 903925573 /nfs/dbraw/zinc/92/55/73/903925573.db2.gz NJFRFNPTURHABS-NEPJUHHUSA-N 2 2 284.404 -0.219 20 0 CBADLP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CC(N)=O ZINC001409556186 903925579 /nfs/dbraw/zinc/92/55/79/903925579.db2.gz NJFRFNPTURHABS-NEPJUHHUSA-N 2 2 284.404 -0.219 20 0 CBADLP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](C)CC(N)=O ZINC001409556186 903925590 /nfs/dbraw/zinc/92/55/90/903925590.db2.gz NJFRFNPTURHABS-NEPJUHHUSA-N 2 2 284.404 -0.219 20 0 CBADLP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](C)CC(N)=O ZINC001409556186 903925600 /nfs/dbraw/zinc/92/56/00/903925600.db2.gz NJFRFNPTURHABS-NEPJUHHUSA-N 2 2 284.404 -0.219 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC[C@@H](C)[N@H+](C)[C@@H](C)C(N)=O ZINC001409676605 903956746 /nfs/dbraw/zinc/95/67/46/903956746.db2.gz HZBMPQMCLSFBBN-ZJUUUORDSA-N 2 2 281.360 -0.498 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC[C@@H](C)[N@@H+](C)[C@@H](C)C(N)=O ZINC001409676605 903956759 /nfs/dbraw/zinc/95/67/59/903956759.db2.gz HZBMPQMCLSFBBN-ZJUUUORDSA-N 2 2 281.360 -0.498 20 0 CBADLP C[C@H](CNC(=O)CC[NH+](C)C)CNC(=O)Cn1cc[nH+]c1 ZINC001409722449 903965943 /nfs/dbraw/zinc/96/59/43/903965943.db2.gz VSVHFMVRPXCMMG-GFCCVEGCSA-N 2 2 295.387 -0.297 20 0 CBADLP C[C@@H](NC(=O)CCc1[nH+]ccn1C)C1C[NH+](CCO)C1 ZINC001409927778 903982283 /nfs/dbraw/zinc/98/22/83/903982283.db2.gz NPBUVYDJLGLXBR-LLVKDONJSA-N 2 2 280.372 -0.219 20 0 CBADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1C[C@@H](O)[C@H](CO)C1 ZINC001460221645 914774591 /nfs/dbraw/zinc/77/45/91/914774591.db2.gz QSLYDLGSGNCDDG-HRCADAONSA-N 2 2 294.395 -0.236 20 0 CBADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1C[C@@H](O)[C@H](CO)C1 ZINC001460221645 914774596 /nfs/dbraw/zinc/77/45/96/914774596.db2.gz QSLYDLGSGNCDDG-HRCADAONSA-N 2 2 294.395 -0.236 20 0 CBADLP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](CO)C1 ZINC001460221645 914774604 /nfs/dbraw/zinc/77/46/04/914774604.db2.gz QSLYDLGSGNCDDG-HRCADAONSA-N 2 2 294.395 -0.236 20 0 CBADLP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](CO)C1 ZINC001460221645 914774608 /nfs/dbraw/zinc/77/46/08/914774608.db2.gz QSLYDLGSGNCDDG-HRCADAONSA-N 2 2 294.395 -0.236 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NC(=O)Cn1cc[nH+]c1 ZINC001410234526 904048863 /nfs/dbraw/zinc/04/88/63/904048863.db2.gz OHTWHIWFYPKNCX-VXGBXAGGSA-N 2 2 293.371 -0.544 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NC(=O)Cn1cc[nH+]c1 ZINC001410234526 904048873 /nfs/dbraw/zinc/04/88/73/904048873.db2.gz OHTWHIWFYPKNCX-VXGBXAGGSA-N 2 2 293.371 -0.544 20 0 CBADLP C[C@@H](O)[C@@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)CCO1 ZINC001460231100 914775945 /nfs/dbraw/zinc/77/59/45/914775945.db2.gz IKHAWUKQNMFBDA-OLZOCXBDSA-N 2 2 285.388 -0.768 20 0 CBADLP C[C@@H](O)[C@@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)CCO1 ZINC001460231100 914775952 /nfs/dbraw/zinc/77/59/52/914775952.db2.gz IKHAWUKQNMFBDA-OLZOCXBDSA-N 2 2 285.388 -0.768 20 0 CBADLP C[C@@H](CN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1)[NH2+]CC(N)=O ZINC001410377049 904085214 /nfs/dbraw/zinc/08/52/14/904085214.db2.gz JAJNJTJZWSHIES-QWRGUYRKSA-N 2 2 293.371 -0.633 20 0 CBADLP C[C@H](CC(=O)N(C)C[C@H](C)[NH2+]CC(N)=O)n1cc[nH+]c1 ZINC001410445104 904103080 /nfs/dbraw/zinc/10/30/80/904103080.db2.gz FQLXUPPTEDUKSZ-WDEREUQCSA-N 2 2 281.360 -0.244 20 0 CBADLP C[C@@H](CN(C)C(=O)Cc1[nH]cc[nH+]1)[NH2+]Cc1cnnn1C ZINC001410477669 904105673 /nfs/dbraw/zinc/10/56/73/904105673.db2.gz YKEDKHXQPQREBW-JTQLQIEISA-N 2 2 291.359 -0.283 20 0 CBADLP COC[C@@H](O)C[NH2+][C@@H](C)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001410527356 904116632 /nfs/dbraw/zinc/11/66/32/904116632.db2.gz IBOZONPVSZBLFX-RYUDHWBXSA-N 2 2 284.360 -0.673 20 0 CBADLP O=C(NC[C@H](CO)[NH2+]CC1CC1)[C@H]1CCc2c[nH+]cn2C1 ZINC001410674894 904156814 /nfs/dbraw/zinc/15/68/14/904156814.db2.gz VNQGWWDBRGZGTJ-QWHCGFSZSA-N 2 2 292.383 -0.078 20 0 CBADLP C[NH+](C)CCC(=O)NC1(CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001410805817 904190441 /nfs/dbraw/zinc/19/04/41/904190441.db2.gz DOBQYQGHMRLKKK-UHFFFAOYSA-N 2 2 293.371 -0.331 20 0 CBADLP CO[C@H](C)C[N@H+](C)C[C@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001411178285 904255048 /nfs/dbraw/zinc/25/50/48/904255048.db2.gz GIJMOGQSYSKELK-NEPJUHHUSA-N 2 2 298.387 -0.262 20 0 CBADLP CO[C@H](C)C[N@@H+](C)C[C@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001411178285 904255057 /nfs/dbraw/zinc/25/50/57/904255057.db2.gz GIJMOGQSYSKELK-NEPJUHHUSA-N 2 2 298.387 -0.262 20 0 CBADLP CO[C@@H](C)C[N@H+](C)C[C@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001411178291 904256429 /nfs/dbraw/zinc/25/64/29/904256429.db2.gz GIJMOGQSYSKELK-RYUDHWBXSA-N 2 2 298.387 -0.262 20 0 CBADLP CO[C@@H](C)C[N@@H+](C)C[C@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001411178291 904256440 /nfs/dbraw/zinc/25/64/40/904256440.db2.gz GIJMOGQSYSKELK-RYUDHWBXSA-N 2 2 298.387 -0.262 20 0 CBADLP COCC[N@H+](C)C[C@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001411184749 904259784 /nfs/dbraw/zinc/25/97/84/904259784.db2.gz IYDFDMBNXRUZGK-LBPRGKRZSA-N 2 2 284.360 -0.650 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001411184749 904259795 /nfs/dbraw/zinc/25/97/95/904259795.db2.gz IYDFDMBNXRUZGK-LBPRGKRZSA-N 2 2 284.360 -0.650 20 0 CBADLP CN(C(=O)CCc1c[nH+]cn1C)C1CC([NH2+]CC(N)=O)C1 ZINC001411252594 904273719 /nfs/dbraw/zinc/27/37/19/904273719.db2.gz NTBOFBPUBJDFFS-UHFFFAOYSA-N 2 2 293.371 -0.583 20 0 CBADLP C[C@H](CC[NH+](C)C)C(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001411768901 904356045 /nfs/dbraw/zinc/35/60/45/904356045.db2.gz QOLNKBAATBLUJZ-NEPJUHHUSA-N 2 2 284.404 -0.360 20 0 CBADLP C[C@H](CC[NH+](C)C)C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001411768901 904356059 /nfs/dbraw/zinc/35/60/59/904356059.db2.gz QOLNKBAATBLUJZ-NEPJUHHUSA-N 2 2 284.404 -0.360 20 0 CBADLP C[N@H+](CC(=O)N[C@@H]1Cc2c[nH+]cn2C1)[C@@H]1CCC[C@H]1O ZINC001412154878 904462436 /nfs/dbraw/zinc/46/24/36/904462436.db2.gz HEFYTDQDYYVZFV-RAIGVLPGSA-N 2 2 278.356 -0.231 20 0 CBADLP C[N@@H+](CC(=O)N[C@@H]1Cc2c[nH+]cn2C1)[C@@H]1CCC[C@H]1O ZINC001412154878 904462448 /nfs/dbraw/zinc/46/24/48/904462448.db2.gz HEFYTDQDYYVZFV-RAIGVLPGSA-N 2 2 278.356 -0.231 20 0 CBADLP O=C(CC[N@@H+]1CC[C@@H](F)C1)N1CC[NH+](CCO)CC1 ZINC001412412421 904563347 /nfs/dbraw/zinc/56/33/47/904563347.db2.gz NHUHKROMXNQUAV-GFCCVEGCSA-N 2 2 273.352 -0.443 20 0 CBADLP O=C(CC[N@H+]1CC[C@@H](F)C1)N1CC[NH+](CCO)CC1 ZINC001412412421 904563361 /nfs/dbraw/zinc/56/33/61/904563361.db2.gz NHUHKROMXNQUAV-GFCCVEGCSA-N 2 2 273.352 -0.443 20 0 CBADLP C[NH+](C)C1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001412767685 904708750 /nfs/dbraw/zinc/70/87/50/904708750.db2.gz FYEOBKBIBJPMRE-KGLIPLIRSA-N 2 2 297.399 -0.361 20 0 CBADLP O=C1NCCC[C@H]1[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC001412980008 904845595 /nfs/dbraw/zinc/84/55/95/904845595.db2.gz IWEACPDMUYXNPY-CYBMUJFWSA-N 2 2 297.399 -0.576 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001413675064 905166537 /nfs/dbraw/zinc/16/65/37/905166537.db2.gz WBIWGWLPDLBMPM-LLVKDONJSA-N 2 2 278.356 -0.058 20 0 CBADLP COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1CCn1cc[nH+]c1 ZINC001413998581 905308675 /nfs/dbraw/zinc/30/86/75/905308675.db2.gz HTBKNHDUJASEAE-NSHDSACASA-N 2 2 280.328 -0.363 20 0 CBADLP COC(=O)CNC(=O)[C@@H]1CCC[N@H+]1CCn1cc[nH+]c1 ZINC001413998581 905308695 /nfs/dbraw/zinc/30/86/95/905308695.db2.gz HTBKNHDUJASEAE-NSHDSACASA-N 2 2 280.328 -0.363 20 0 CBADLP C[NH+](C)CC1(O)CC[NH+](CC(=O)Nc2ccncc2)CC1 ZINC001414017258 905323807 /nfs/dbraw/zinc/32/38/07/905323807.db2.gz MVOGTFMYXIYPFB-UHFFFAOYSA-N 2 2 292.383 -0.170 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+]Cc2cccc(C(N)=O)c2)CC1 ZINC001414068247 905347365 /nfs/dbraw/zinc/34/73/65/905347365.db2.gz YHTIIXWDLHSXFA-UHFFFAOYSA-N 2 2 290.367 -0.351 20 0 CBADLP CCN(CCNC(=O)CC[NH+](C)C)C(=O)Cc1c[nH+]c[nH]1 ZINC001415718267 905659525 /nfs/dbraw/zinc/65/95/25/905659525.db2.gz PMGHQSMPSHGESB-UHFFFAOYSA-N 2 2 295.387 -0.131 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC001417636692 905946611 /nfs/dbraw/zinc/94/66/11/905946611.db2.gz QRBKVWFWVRJNPI-LBPRGKRZSA-N 2 2 279.388 -0.056 20 0 CBADLP CCC[N@H+](C)CCC(=O)N(C)C[C@H]1CC[NH+]1CC(=O)NC ZINC001417748471 906038315 /nfs/dbraw/zinc/03/83/15/906038315.db2.gz RUGHKRJBNOQGGD-CYBMUJFWSA-N 2 2 298.431 -0.003 20 0 CBADLP CCC[N@@H+](C)CCC(=O)N(C)C[C@H]1CC[NH+]1CC(=O)NC ZINC001417748471 906038336 /nfs/dbraw/zinc/03/83/36/906038336.db2.gz RUGHKRJBNOQGGD-CYBMUJFWSA-N 2 2 298.431 -0.003 20 0 CBADLP CCC[NH+](C)CCC(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)NC ZINC001417748471 906038357 /nfs/dbraw/zinc/03/83/57/906038357.db2.gz RUGHKRJBNOQGGD-CYBMUJFWSA-N 2 2 298.431 -0.003 20 0 CBADLP CCC[NH+](C)CCC(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)NC ZINC001417748471 906038378 /nfs/dbraw/zinc/03/83/78/906038378.db2.gz RUGHKRJBNOQGGD-CYBMUJFWSA-N 2 2 298.431 -0.003 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001418046262 906145694 /nfs/dbraw/zinc/14/56/94/906145694.db2.gz LJQVQHFHTIBXMV-QWRGUYRKSA-N 2 2 293.371 -0.712 20 0 CBADLP CN(C)C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001418104288 906168651 /nfs/dbraw/zinc/16/86/51/906168651.db2.gz SWDMMGKQGHCMQJ-AOOOYVTPSA-N 2 2 279.344 -0.723 20 0 CBADLP C[C@H](CNC(=O)CCc1[nH+]ccn1C)[NH2+][C@@H](C)C(N)=O ZINC001418260952 906241172 /nfs/dbraw/zinc/24/11/72/906241172.db2.gz GYTPQGZMQRUOKK-ZJUUUORDSA-N 2 2 281.360 -0.679 20 0 CBADLP CC[C@@H]([NH2+][C@H](C)CCNC(=O)Cc1c[nH]c[nH+]1)C(N)=O ZINC001418420804 906316839 /nfs/dbraw/zinc/31/68/39/906316839.db2.gz RSVJZTOUHQFTDK-MWLCHTKSSA-N 2 2 281.360 -0.300 20 0 CBADLP C[C@H](CCNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@@H](C)C(=O)N(C)C ZINC001418432378 906321687 /nfs/dbraw/zinc/32/16/87/906321687.db2.gz XCEJUNBBQYTMLV-MNOVXSKESA-N 2 2 295.387 -0.087 20 0 CBADLP CC[N@H+](CCNC(=O)Cn1c[nH+]cc1C)[C@H](C)C(N)=O ZINC001418555623 906404726 /nfs/dbraw/zinc/40/47/26/906404726.db2.gz FYQFPNBWBIHDSH-LLVKDONJSA-N 2 2 281.360 -0.497 20 0 CBADLP CC[N@@H+](CCNC(=O)Cn1c[nH+]cc1C)[C@H](C)C(N)=O ZINC001418555623 906404731 /nfs/dbraw/zinc/40/47/31/906404731.db2.gz FYQFPNBWBIHDSH-LLVKDONJSA-N 2 2 281.360 -0.497 20 0 CBADLP CC[N@H+](C)CCC(=O)N(C)C[C@@H]1CC[NH+]1[C@@H](C)C(=O)NC ZINC001418594819 906421178 /nfs/dbraw/zinc/42/11/78/906421178.db2.gz MZMGABGMLNAXGT-STQMWFEESA-N 2 2 298.431 -0.005 20 0 CBADLP CC[N@@H+](C)CCC(=O)N(C)C[C@@H]1CC[NH+]1[C@@H](C)C(=O)NC ZINC001418594819 906421181 /nfs/dbraw/zinc/42/11/81/906421181.db2.gz MZMGABGMLNAXGT-STQMWFEESA-N 2 2 298.431 -0.005 20 0 CBADLP CC[NH+](C)CCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)NC ZINC001418594819 906421186 /nfs/dbraw/zinc/42/11/86/906421186.db2.gz MZMGABGMLNAXGT-STQMWFEESA-N 2 2 298.431 -0.005 20 0 CBADLP CC[NH+](C)CCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@@H](C)C(=O)NC ZINC001418594819 906421191 /nfs/dbraw/zinc/42/11/91/906421191.db2.gz MZMGABGMLNAXGT-STQMWFEESA-N 2 2 298.431 -0.005 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001418638674 906433979 /nfs/dbraw/zinc/43/39/79/906433979.db2.gz MINIGLVNTTUGAJ-UMNHJUIQSA-N 2 2 291.355 -0.675 20 0 CBADLP CCC[N@H+](CCNC(=O)Cc1c[nH+]cn1C)CC(N)=O ZINC001418730408 906457356 /nfs/dbraw/zinc/45/73/56/906457356.db2.gz YPLUAWSSAGCJOS-UHFFFAOYSA-N 2 2 281.360 -0.724 20 0 CBADLP CCC[N@@H+](CCNC(=O)Cc1c[nH+]cn1C)CC(N)=O ZINC001418730408 906457362 /nfs/dbraw/zinc/45/73/62/906457362.db2.gz YPLUAWSSAGCJOS-UHFFFAOYSA-N 2 2 281.360 -0.724 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CC[C@@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001418904624 906511641 /nfs/dbraw/zinc/51/16/41/906511641.db2.gz GRXBIFHKOKPVFV-GHMZBOCLSA-N 2 2 293.371 -0.346 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CC[C@@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001418904624 906511655 /nfs/dbraw/zinc/51/16/55/906511655.db2.gz GRXBIFHKOKPVFV-GHMZBOCLSA-N 2 2 293.371 -0.346 20 0 CBADLP CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001418961395 906527211 /nfs/dbraw/zinc/52/72/11/906527211.db2.gz AFJSPHYGCPQLIN-LBPRGKRZSA-N 2 2 284.404 -0.347 20 0 CBADLP CNC(=O)C[N@H+]1CCC[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001418961395 906527223 /nfs/dbraw/zinc/52/72/23/906527223.db2.gz AFJSPHYGCPQLIN-LBPRGKRZSA-N 2 2 284.404 -0.347 20 0 CBADLP CNC(=O)C[NH+]1CCC[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001418961395 906527236 /nfs/dbraw/zinc/52/72/36/906527236.db2.gz AFJSPHYGCPQLIN-LBPRGKRZSA-N 2 2 284.404 -0.347 20 0 CBADLP CNC(=O)C[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001418961395 906527242 /nfs/dbraw/zinc/52/72/42/906527242.db2.gz AFJSPHYGCPQLIN-LBPRGKRZSA-N 2 2 284.404 -0.347 20 0 CBADLP COC[C@@H](O)C[NH+]1CC(NC(=O)CCC[NH+](C)C)C1 ZINC001418984750 906547702 /nfs/dbraw/zinc/54/77/02/906547702.db2.gz YVEADMSVSNSLAB-LBPRGKRZSA-N 2 2 273.377 -0.864 20 0 CBADLP C[C@@H](O)CCC[NH+]1CC(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001418995642 906549729 /nfs/dbraw/zinc/54/97/29/906549729.db2.gz VOENSXAOPKFIQK-CYBMUJFWSA-N 2 2 299.415 -0.330 20 0 CBADLP CCN(C)C(=O)C[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001419037114 906571138 /nfs/dbraw/zinc/57/11/38/906571138.db2.gz FCCSASZCWFJQSP-ZDUSSCGKSA-N 2 2 296.415 -0.536 20 0 CBADLP CCN(C)C(=O)C[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001419037114 906571146 /nfs/dbraw/zinc/57/11/46/906571146.db2.gz FCCSASZCWFJQSP-ZDUSSCGKSA-N 2 2 296.415 -0.536 20 0 CBADLP CCCNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001419037084 906571391 /nfs/dbraw/zinc/57/13/91/906571391.db2.gz DCCAWBHDPWUDRU-CYBMUJFWSA-N 2 2 296.415 -0.488 20 0 CBADLP CCCNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001419037084 906571400 /nfs/dbraw/zinc/57/14/00/906571400.db2.gz DCCAWBHDPWUDRU-CYBMUJFWSA-N 2 2 296.415 -0.488 20 0 CBADLP CCC[N@@H+](C)CC(=O)NCC1C[NH+](CC(=O)NC(C)C)C1 ZINC001419043576 906573704 /nfs/dbraw/zinc/57/37/04/906573704.db2.gz VLGKKCFHXTXXLA-UHFFFAOYSA-N 2 2 298.431 -0.099 20 0 CBADLP CCC[N@H+](C)CC(=O)NCC1C[NH+](CC(=O)NC(C)C)C1 ZINC001419043576 906573686 /nfs/dbraw/zinc/57/36/86/906573686.db2.gz VLGKKCFHXTXXLA-UHFFFAOYSA-N 2 2 298.431 -0.099 20 0 CBADLP COC[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001419423804 906686312 /nfs/dbraw/zinc/68/63/12/906686312.db2.gz ANMNKLQDGPPIPU-GMTAPVOTSA-N 2 2 282.344 -0.804 20 0 CBADLP CCN(C)C(=O)C[NH2+]C[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001419527200 906710740 /nfs/dbraw/zinc/71/07/40/906710740.db2.gz XZXDIURWBHICIB-NSHDSACASA-N 2 2 295.387 -0.228 20 0 CBADLP CCN(C)C(=O)C[NH2+]C[C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001419527197 906711727 /nfs/dbraw/zinc/71/17/27/906711727.db2.gz XZXDIURWBHICIB-LLVKDONJSA-N 2 2 295.387 -0.228 20 0 CBADLP NC(=O)C[N@@H+]1CCC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001419563339 906727806 /nfs/dbraw/zinc/72/78/06/906727806.db2.gz XWOWFNHJLYEQBD-LLVKDONJSA-N 2 2 279.344 -0.803 20 0 CBADLP NC(=O)C[N@H+]1CCC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001419563339 906727817 /nfs/dbraw/zinc/72/78/17/906727817.db2.gz XWOWFNHJLYEQBD-LLVKDONJSA-N 2 2 279.344 -0.803 20 0 CBADLP COCC[N@@H+]1CCO[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001419572742 906730397 /nfs/dbraw/zinc/73/03/97/906730397.db2.gz XMJMADTVFYRGPE-CYBMUJFWSA-N 2 2 287.404 -0.208 20 0 CBADLP COCC[N@H+]1CCO[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001419572742 906730410 /nfs/dbraw/zinc/73/04/10/906730410.db2.gz XMJMADTVFYRGPE-CYBMUJFWSA-N 2 2 287.404 -0.208 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)[NH2+]CC(=O)NC(C)C ZINC001419906072 906855939 /nfs/dbraw/zinc/85/59/39/906855939.db2.gz NUPZKPJLXGMHBF-JTQLQIEISA-N 2 2 295.387 -0.120 20 0 CBADLP NC(=O)C[NH2+][C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001419976528 906878874 /nfs/dbraw/zinc/87/88/74/906878874.db2.gz WHSLJXORQCJSOZ-NSHDSACASA-N 2 2 279.344 -0.661 20 0 CBADLP NC(=O)C[NH2+][C@H]1CCC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001420007193 906894881 /nfs/dbraw/zinc/89/48/81/906894881.db2.gz AZBLOAVLIGQBFX-RYUDHWBXSA-N 2 2 293.371 -0.225 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N(C)CC[N@@H+](C)[C@@H](C)C(N)=O ZINC001420053693 906911943 /nfs/dbraw/zinc/91/19/43/906911943.db2.gz YVNHPGLRLKIELR-JTQLQIEISA-N 2 2 281.360 -0.544 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N(C)CC[N@H+](C)[C@@H](C)C(N)=O ZINC001420053693 906911956 /nfs/dbraw/zinc/91/19/56/906911956.db2.gz YVNHPGLRLKIELR-JTQLQIEISA-N 2 2 281.360 -0.544 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1csnn1 ZINC001420111039 906946730 /nfs/dbraw/zinc/94/67/30/906946730.db2.gz NRCBULWGHIXKQG-QWRGUYRKSA-N 2 2 299.400 -0.801 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1csnn1 ZINC001420111039 906946735 /nfs/dbraw/zinc/94/67/35/906946735.db2.gz NRCBULWGHIXKQG-QWRGUYRKSA-N 2 2 299.400 -0.801 20 0 CBADLP CNC(=O)C[NH2+][C@H](C)CCNC(=O)CCn1cc[nH+]c1 ZINC001420119256 906952617 /nfs/dbraw/zinc/95/26/17/906952617.db2.gz GUKLMHMJGYXGGD-LLVKDONJSA-N 2 2 281.360 -0.496 20 0 CBADLP C[C@@H]([NH2+][C@@H](C)CCNC(=O)Cc1c[nH]c[nH+]1)C(=O)N(C)C ZINC001420140659 906964179 /nfs/dbraw/zinc/96/41/79/906964179.db2.gz KVSGRQUMRMKPLL-WDEREUQCSA-N 2 2 295.387 -0.087 20 0 CBADLP C[C@@H](CCNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CCn1cncn1 ZINC001420138094 906964782 /nfs/dbraw/zinc/96/47/82/906964782.db2.gz FNBJLWFJVBROBS-NSHDSACASA-N 2 2 291.359 -0.272 20 0 CBADLP O=C(CCn1cc[nH+]c1)NC[C@@H](O)C[NH2+]C[C@H]1CCOC1 ZINC001420166563 906980635 /nfs/dbraw/zinc/98/06/35/906980635.db2.gz VKTIDSBQNOGFMY-OLZOCXBDSA-N 2 2 296.371 -0.624 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001420217211 907023892 /nfs/dbraw/zinc/02/38/92/907023892.db2.gz FYNHEOJCFODUSR-CHWSQXEVSA-N 2 2 298.431 -0.101 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001420217211 907023907 /nfs/dbraw/zinc/02/39/07/907023907.db2.gz FYNHEOJCFODUSR-CHWSQXEVSA-N 2 2 298.431 -0.101 20 0 CBADLP CC(C)NC(=O)C[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001420217211 907023922 /nfs/dbraw/zinc/02/39/22/907023922.db2.gz FYNHEOJCFODUSR-CHWSQXEVSA-N 2 2 298.431 -0.101 20 0 CBADLP CC(C)NC(=O)C[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001420217211 907023937 /nfs/dbraw/zinc/02/39/37/907023937.db2.gz FYNHEOJCFODUSR-CHWSQXEVSA-N 2 2 298.431 -0.101 20 0 CBADLP C[C@@H](CC[NH2+][C@@H]1CCNC1=O)NC(=O)Cc1c[nH+]cn1C ZINC001420238615 907038559 /nfs/dbraw/zinc/03/85/59/907038559.db2.gz QYOOIEUOSYYERV-CMPLNLGQSA-N 2 2 293.371 -0.665 20 0 CBADLP CCN(CC[NH2+][C@@H]1CCNC1=O)C(=O)CCn1cc[nH+]c1 ZINC001420246638 907043396 /nfs/dbraw/zinc/04/33/96/907043396.db2.gz SSVXWWWLLKBAOS-GFCCVEGCSA-N 2 2 293.371 -0.400 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001420295076 907078184 /nfs/dbraw/zinc/07/81/84/907078184.db2.gz FINQGBRDYNJWDB-CYBMUJFWSA-N 2 2 298.431 -0.099 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001420295076 907078202 /nfs/dbraw/zinc/07/82/02/907078202.db2.gz FINQGBRDYNJWDB-CYBMUJFWSA-N 2 2 298.431 -0.099 20 0 CBADLP CC(C)NC(=O)C[NH+](C)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001420295076 907078217 /nfs/dbraw/zinc/07/82/17/907078217.db2.gz FINQGBRDYNJWDB-CYBMUJFWSA-N 2 2 298.431 -0.099 20 0 CBADLP CC(C)NC(=O)C[NH+](C)CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001420295076 907078239 /nfs/dbraw/zinc/07/82/39/907078239.db2.gz FINQGBRDYNJWDB-CYBMUJFWSA-N 2 2 298.431 -0.099 20 0 CBADLP Cc1c[nH+]c2cc(C(=O)N[C@H](C)C[NH2+]CC(N)=O)ccn12 ZINC001420294291 907078618 /nfs/dbraw/zinc/07/86/18/907078618.db2.gz JLIJQHZTSDSQKY-SECBINFHSA-N 2 2 289.339 -0.164 20 0 CBADLP COC[C@H](O)C[N@H+](C)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001420311728 907091871 /nfs/dbraw/zinc/09/18/71/907091871.db2.gz XXRCIBUDYRYHQQ-LLVKDONJSA-N 2 2 270.333 -0.993 20 0 CBADLP COC[C@H](O)C[N@@H+](C)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001420311728 907091889 /nfs/dbraw/zinc/09/18/89/907091889.db2.gz XXRCIBUDYRYHQQ-LLVKDONJSA-N 2 2 270.333 -0.993 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[N@H+](C)CCF ZINC001420342285 907111007 /nfs/dbraw/zinc/11/10/07/907111007.db2.gz DHDICODYQIEECH-LBPRGKRZSA-N 2 2 275.368 -0.028 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[N@@H+](C)CCF ZINC001420342285 907111014 /nfs/dbraw/zinc/11/10/14/907111014.db2.gz DHDICODYQIEECH-LBPRGKRZSA-N 2 2 275.368 -0.028 20 0 CBADLP C[C@H](C[NH2+]CC(=O)N(C)C)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001420345552 907114624 /nfs/dbraw/zinc/11/46/24/907114624.db2.gz VYVVBEMCCAXMCQ-WDEREUQCSA-N 2 2 295.387 -0.229 20 0 CBADLP C[C@H](C[NH2+]CC(=O)N(C)C)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001420345552 907114634 /nfs/dbraw/zinc/11/46/34/907114634.db2.gz VYVVBEMCCAXMCQ-WDEREUQCSA-N 2 2 295.387 -0.229 20 0 CBADLP C[C@H](C[NH2+][C@@H](C)C(=O)N(C)C)NC(=O)Cc1c[nH+]cn1C ZINC001420364664 907123944 /nfs/dbraw/zinc/12/39/44/907123944.db2.gz HEVQLELWCNKPGX-MNOVXSKESA-N 2 2 295.387 -0.466 20 0 CBADLP C[C@@H](C[NH2+][C@H]1CCCN(C)C1=O)NC(=O)Cc1c[nH]c[nH+]1 ZINC001420482961 907180472 /nfs/dbraw/zinc/18/04/72/907180472.db2.gz RLRUYDWAJRXJOS-JQWIXIFHSA-N 2 2 293.371 -0.333 20 0 CBADLP CC[C@@H]([NH2+]C[C@H](C)NC(=O)CCc1c[nH+]cn1C)C(N)=O ZINC001420505988 907188864 /nfs/dbraw/zinc/18/88/64/907188864.db2.gz LLXQIZGFXZFZCC-CMPLNLGQSA-N 2 2 295.387 -0.289 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[N@H+](C)[C@H](C)C(N)=O ZINC001420602405 907231170 /nfs/dbraw/zinc/23/11/70/907231170.db2.gz AXRVVLNXJDBGCA-GXSJLCMTSA-N 2 2 281.360 -0.498 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[N@@H+](C)[C@H](C)C(N)=O ZINC001420602405 907231182 /nfs/dbraw/zinc/23/11/82/907231182.db2.gz AXRVVLNXJDBGCA-GXSJLCMTSA-N 2 2 281.360 -0.498 20 0 CBADLP CN(CC[NH2+][C@H]1CCN(C)C1=O)C(=O)Cc1[nH]cc[nH+]1 ZINC001420726620 907286308 /nfs/dbraw/zinc/28/63/08/907286308.db2.gz GZCWQUMYJFDSSY-JTQLQIEISA-N 2 2 279.344 -0.769 20 0 CBADLP C[C@@H]([NH2+]C[C@H](NC(=O)Cc1c[nH]c[nH+]1)C1CC1)C(N)=O ZINC001420772420 907297879 /nfs/dbraw/zinc/29/78/79/907297879.db2.gz QKNOCFZMMVMADM-KCJUWKMLSA-N 2 2 279.344 -0.690 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N[C@H](C[NH2+][C@H]1CCNC1=O)C1CC1 ZINC001420794790 907302229 /nfs/dbraw/zinc/30/22/29/907302229.db2.gz SLASUPSLBHLTBA-WDEREUQCSA-N 2 2 291.355 -0.675 20 0 CBADLP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+]1CCNC(=O)C1CC1 ZINC001420864002 907328464 /nfs/dbraw/zinc/32/84/64/907328464.db2.gz BDWSKQDQKIOKHD-ZDUSSCGKSA-N 2 2 296.415 -0.345 20 0 CBADLP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+]1CCNC(=O)C1CC1 ZINC001420864002 907328479 /nfs/dbraw/zinc/32/84/79/907328479.db2.gz BDWSKQDQKIOKHD-ZDUSSCGKSA-N 2 2 296.415 -0.345 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001420873182 907331911 /nfs/dbraw/zinc/33/19/11/907331911.db2.gz MSCLSNLTCFVHRE-NSHDSACASA-N 2 2 293.371 -0.474 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001420873182 907331928 /nfs/dbraw/zinc/33/19/28/907331928.db2.gz MSCLSNLTCFVHRE-NSHDSACASA-N 2 2 293.371 -0.474 20 0 CBADLP COC[C@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001420906813 907348506 /nfs/dbraw/zinc/34/85/06/907348506.db2.gz RZSVTJAXEFQVRK-CHWSQXEVSA-N 2 2 285.388 -0.720 20 0 CBADLP COC[C@H](O)C[N@H+]1CC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001420906813 907348522 /nfs/dbraw/zinc/34/85/22/907348522.db2.gz RZSVTJAXEFQVRK-CHWSQXEVSA-N 2 2 285.388 -0.720 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](C[N@@H+](C)CC(N)=O)C1 ZINC001420926855 907360525 /nfs/dbraw/zinc/36/05/25/907360525.db2.gz GGTCHUZTHRKWAG-LLVKDONJSA-N 2 2 293.371 -0.474 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](C[N@H+](C)CC(N)=O)C1 ZINC001420926855 907360542 /nfs/dbraw/zinc/36/05/42/907360542.db2.gz GGTCHUZTHRKWAG-LLVKDONJSA-N 2 2 293.371 -0.474 20 0 CBADLP CN(C)C(=O)C[NH2+]C1(CNC(=O)Cn2cc[nH+]c2)CCC1 ZINC001502030788 921320276 /nfs/dbraw/zinc/32/02/76/921320276.db2.gz MPPBJBHNDVMOPC-UHFFFAOYSA-N 2 2 293.371 -0.400 20 0 CBADLP C[C@H]1COCC[N@@H+]1C1CCN(c2nc(N)[nH+]c(N)n2)CC1 ZINC001421170848 907453666 /nfs/dbraw/zinc/45/36/66/907453666.db2.gz XPABBDMRFGREPG-VIFPVBQESA-N 2 2 293.375 -0.275 20 0 CBADLP C[C@H]1COCC[N@H+]1C1CCN(c2nc(N)[nH+]c(N)n2)CC1 ZINC001421170848 907453673 /nfs/dbraw/zinc/45/36/73/907453673.db2.gz XPABBDMRFGREPG-VIFPVBQESA-N 2 2 293.375 -0.275 20 0 CBADLP O=C(CCCn1cc[nH+]c1)N1C[C@@H]2C[C@H]1C[N@H+]2CCO ZINC001421232020 907473209 /nfs/dbraw/zinc/47/32/09/907473209.db2.gz URRGVDQNZABABC-STQMWFEESA-N 2 2 278.356 -0.059 20 0 CBADLP O=C(CCCn1cc[nH+]c1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCO ZINC001421232020 907473215 /nfs/dbraw/zinc/47/32/15/907473215.db2.gz URRGVDQNZABABC-STQMWFEESA-N 2 2 278.356 -0.059 20 0 CBADLP C[C@@H](O)C[NH2+]C1(CNC(=O)Cn2cc[nH+]c2)CCOCC1 ZINC001421323917 907493245 /nfs/dbraw/zinc/49/32/45/907493245.db2.gz YYXZBXYREVFAFI-GFCCVEGCSA-N 2 2 296.371 -0.481 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@@]1(O)CC[N@H+](CCF)C1 ZINC001421395788 907521850 /nfs/dbraw/zinc/52/18/50/907521850.db2.gz VYVZCKJZHVMTGM-LBPRGKRZSA-N 2 2 270.308 -0.594 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@@]1(O)CC[N@@H+](CCF)C1 ZINC001421395788 907521865 /nfs/dbraw/zinc/52/18/65/907521865.db2.gz VYVZCKJZHVMTGM-LBPRGKRZSA-N 2 2 270.308 -0.594 20 0 CBADLP CC[C@@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)[NH2+]CCO ZINC001421418450 907537138 /nfs/dbraw/zinc/53/71/38/907537138.db2.gz NAHPRYBYYFDXEX-NEPJUHHUSA-N 2 2 280.372 -0.078 20 0 CBADLP CC[C@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)[NH2+]CCO ZINC001421418453 907538318 /nfs/dbraw/zinc/53/83/18/907538318.db2.gz NAHPRYBYYFDXEX-VXGBXAGGSA-N 2 2 280.372 -0.078 20 0 CBADLP CC[C@@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)[NH2+]CCO ZINC001421418452 907538479 /nfs/dbraw/zinc/53/84/79/907538479.db2.gz NAHPRYBYYFDXEX-RYUDHWBXSA-N 2 2 280.372 -0.078 20 0 CBADLP COC[C@@H](C)[NH+]1CC(O)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001421415738 907539942 /nfs/dbraw/zinc/53/99/42/907539942.db2.gz DGXNDRVCYRAMLD-NEPJUHHUSA-N 2 2 285.388 -0.722 20 0 CBADLP COC[C@@H](C)[NH+]1CC(O)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001421415738 907539955 /nfs/dbraw/zinc/53/99/55/907539955.db2.gz DGXNDRVCYRAMLD-NEPJUHHUSA-N 2 2 285.388 -0.722 20 0 CBADLP CC[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CC(=O)NC(C)C ZINC001421453793 907551218 /nfs/dbraw/zinc/55/12/18/907551218.db2.gz DVHBZOATWPJAOJ-NSHDSACASA-N 2 2 295.387 -0.039 20 0 CBADLP CC[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CC(=O)N(C)C ZINC001421464655 907556406 /nfs/dbraw/zinc/55/64/06/907556406.db2.gz CLDPMMZKKNDLOZ-JTQLQIEISA-N 2 2 281.360 -0.475 20 0 CBADLP COC[C@@H](C)[NH+]1CC(O)(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001421481485 907565135 /nfs/dbraw/zinc/56/51/35/907565135.db2.gz IYEZXHLGTCOSFV-CHWSQXEVSA-N 2 2 299.415 -0.474 20 0 CBADLP COC[C@@H](C)[NH+]1CC(O)(CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001421481485 907565149 /nfs/dbraw/zinc/56/51/49/907565149.db2.gz IYEZXHLGTCOSFV-CHWSQXEVSA-N 2 2 299.415 -0.474 20 0 CBADLP COCC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001502079381 921337101 /nfs/dbraw/zinc/33/71/01/921337101.db2.gz OWMGZVGPZLSNBL-LBPRGKRZSA-N 2 2 282.344 -0.584 20 0 CBADLP COCC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001502097636 921337652 /nfs/dbraw/zinc/33/76/52/921337652.db2.gz ROFIOWMPTGEZOO-GFCCVEGCSA-N 2 2 282.344 -0.654 20 0 CBADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C[NH2+]Cc1cn(C)nn1 ZINC001421722685 907625687 /nfs/dbraw/zinc/62/56/87/907625687.db2.gz CZIVQRJABVLCTK-SNVBAGLBSA-N 2 2 291.359 -0.377 20 0 CBADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)C[NH2+]Cc1cnnn1C ZINC001421747564 907633575 /nfs/dbraw/zinc/63/35/75/907633575.db2.gz NTMLQUDAGCIYRK-JTQLQIEISA-N 2 2 291.359 -0.377 20 0 CBADLP CCNC(=O)C[NH2+]C1(CNC(=O)Cn2cc[nH+]c2)CCC1 ZINC001421781456 907640991 /nfs/dbraw/zinc/64/09/91/907640991.db2.gz AHXFAVDCTVEAIF-UHFFFAOYSA-N 2 2 293.371 -0.352 20 0 CBADLP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2C[NH+](CCO)CCO2)C1 ZINC001421802197 907646263 /nfs/dbraw/zinc/64/62/63/907646263.db2.gz RCYHKOXWXMKFIC-OLZOCXBDSA-N 2 2 285.388 -0.863 20 0 CBADLP C[N@H+]1CC[C@H](CC(=O)NC[C@H]2C[NH+](CCO)CCO2)C1 ZINC001421802197 907646273 /nfs/dbraw/zinc/64/62/73/907646273.db2.gz RCYHKOXWXMKFIC-OLZOCXBDSA-N 2 2 285.388 -0.863 20 0 CBADLP C[NH+]1CC[C@H](CC(=O)NC[C@H]2C[N@H+](CCO)CCO2)C1 ZINC001421802197 907646287 /nfs/dbraw/zinc/64/62/87/907646287.db2.gz RCYHKOXWXMKFIC-OLZOCXBDSA-N 2 2 285.388 -0.863 20 0 CBADLP C[NH+]1CC[C@H](CC(=O)NC[C@H]2C[N@@H+](CCO)CCO2)C1 ZINC001421802197 907646307 /nfs/dbraw/zinc/64/63/07/907646307.db2.gz RCYHKOXWXMKFIC-OLZOCXBDSA-N 2 2 285.388 -0.863 20 0 CBADLP C[C@@H](C[NH2+][C@@H](C)C(N)=O)N(C)C(=O)CCn1cc[nH+]c1 ZINC001421924140 907682346 /nfs/dbraw/zinc/68/23/46/907682346.db2.gz CQGHXVFGCHOEKX-QWRGUYRKSA-N 2 2 281.360 -0.417 20 0 CBADLP CC[N@H+](C)CCC(=O)N[C@H]1COC2(C[NH+](CCOC)C2)C1 ZINC001421942126 907687446 /nfs/dbraw/zinc/68/74/46/907687446.db2.gz OLUXDUNRNBUHTB-CYBMUJFWSA-N 2 2 299.415 -0.066 20 0 CBADLP CC[N@@H+](C)CCC(=O)N[C@H]1COC2(C[NH+](CCOC)C2)C1 ZINC001421942126 907687457 /nfs/dbraw/zinc/68/74/57/907687457.db2.gz OLUXDUNRNBUHTB-CYBMUJFWSA-N 2 2 299.415 -0.066 20 0 CBADLP C[C@@H](C[NH2+][C@H]1CCCNC1=O)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001421952223 907689678 /nfs/dbraw/zinc/68/96/78/907689678.db2.gz CYYDUGMSIAJXBM-JQWIXIFHSA-N 2 2 293.371 -0.333 20 0 CBADLP C[C@H](C[NH2+][C@@H]1CCCNC1=O)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001421952227 907691214 /nfs/dbraw/zinc/69/12/14/907691214.db2.gz CYYDUGMSIAJXBM-ZYHUDNBSSA-N 2 2 293.371 -0.333 20 0 CBADLP C[C@H](C[NH2+][C@H]1CCN(C)C1=O)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001421966739 907695173 /nfs/dbraw/zinc/69/51/73/907695173.db2.gz YYLBOGFXLMHZLL-PWSUYJOCSA-N 2 2 293.371 -0.381 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(Cc2nn[nH]n2)CC1 ZINC001422199495 907742953 /nfs/dbraw/zinc/74/29/53/907742953.db2.gz ZBYVEWDIZBWBNU-GFCCVEGCSA-N 2 2 282.392 -0.233 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(Cc2nn[nH]n2)CC1 ZINC001422199495 907742959 /nfs/dbraw/zinc/74/29/59/907742959.db2.gz ZBYVEWDIZBWBNU-GFCCVEGCSA-N 2 2 282.392 -0.233 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]Cc1cnsn1 ZINC001422262716 907763262 /nfs/dbraw/zinc/76/32/62/907763262.db2.gz GISMYYYNJRCFQP-MNOVXSKESA-N 2 2 299.400 -0.801 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]Cc1cnsn1 ZINC001422262716 907763276 /nfs/dbraw/zinc/76/32/76/907763276.db2.gz GISMYYYNJRCFQP-MNOVXSKESA-N 2 2 299.400 -0.801 20 0 CBADLP O=C(CCc1c[nH]c[nH+]1)NC[C@@H](O)C[NH2+]C[C@H]1CCOC1 ZINC001422310037 907795429 /nfs/dbraw/zinc/79/54/29/907795429.db2.gz APSMSHALHULAPW-YPMHNXCESA-N 2 2 296.371 -0.555 20 0 CBADLP O=C(CCc1c[nH+]c[nH]1)NC[C@@H](O)C[NH2+]C[C@H]1CCOC1 ZINC001422310037 907795438 /nfs/dbraw/zinc/79/54/38/907795438.db2.gz APSMSHALHULAPW-YPMHNXCESA-N 2 2 296.371 -0.555 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@H](O)C[NH2+]C[C@@H]1CCCOC1 ZINC001422361530 907822110 /nfs/dbraw/zinc/82/21/10/907822110.db2.gz FVPNGRABOQCQLS-AAEUAGOBSA-N 2 2 296.371 -0.555 20 0 CBADLP CO[C@@H](C)C[NH+]1CC2(C1)CN(C(=O)CC[NH+](C)C)CCO2 ZINC001502419752 921356061 /nfs/dbraw/zinc/35/60/61/921356061.db2.gz CNLZYXGJOIRJPI-ZDUSSCGKSA-N 2 2 299.415 -0.114 20 0 CBADLP COC[C@@H](C)[NH2+]C[C@H](O)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001422385384 907837560 /nfs/dbraw/zinc/83/75/60/907837560.db2.gz AAOZIKAYPBHZNH-KOLCDFICSA-N 2 2 284.360 -0.638 20 0 CBADLP O=C(C[NH+]1CCCC1)NC[C@H](O)C[NH2+]Cc1ccon1 ZINC001422399885 907838332 /nfs/dbraw/zinc/83/83/32/907838332.db2.gz CDVJFZIPOYZHQH-GFCCVEGCSA-N 2 2 282.344 -0.663 20 0 CBADLP C[C@H](CC[NH2+][C@H]1CCNC1=O)NC(=O)CCn1cc[nH+]c1 ZINC001422430258 907852380 /nfs/dbraw/zinc/85/23/80/907852380.db2.gz SEWAFKSFMPUXNN-NEPJUHHUSA-N 2 2 293.371 -0.354 20 0 CBADLP C[C@@H](CC[NH2+][C@H]1CCNC1=O)NC(=O)CCn1cc[nH+]c1 ZINC001422430271 907852664 /nfs/dbraw/zinc/85/26/64/907852664.db2.gz SEWAFKSFMPUXNN-RYUDHWBXSA-N 2 2 293.371 -0.354 20 0 CBADLP CCN(CC[NH2+][C@H](C)C(=O)NC)C(=O)Cc1c[nH+]cn1C ZINC001422456784 907870096 /nfs/dbraw/zinc/87/00/96/907870096.db2.gz ZYAHYFNUDDAYQS-LLVKDONJSA-N 2 2 295.387 -0.465 20 0 CBADLP CCC(=O)N1CCC([NH2+]CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001422606065 907939739 /nfs/dbraw/zinc/93/97/39/907939739.db2.gz LIASRPIQCUZFHB-UHFFFAOYSA-N 2 2 296.415 -0.249 20 0 CBADLP C[C@H](O)C[NH+]1CC(CCO)(NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001422629362 907953827 /nfs/dbraw/zinc/95/38/27/907953827.db2.gz WUOGVNOYKPTSDT-LBPRGKRZSA-N 2 2 299.415 -0.596 20 0 CBADLP COCC[NH+]1CC(CCO)(NC(=O)CC[NH+](C)C)C1 ZINC001422644264 907962991 /nfs/dbraw/zinc/96/29/91/907962991.db2.gz UCFHALKTYAQKCA-UHFFFAOYSA-N 2 2 273.377 -0.863 20 0 CBADLP COC[C@@H](O)C[NH+]1CC([C@H](C)NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001422741190 907989245 /nfs/dbraw/zinc/98/92/45/907989245.db2.gz SYFJNRWUQFNDDC-GWCFXTLKSA-N 2 2 296.371 -0.604 20 0 CBADLP CNC(=O)C[NH+]1CC([C@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001422758478 907995002 /nfs/dbraw/zinc/99/50/02/907995002.db2.gz XUHCMBDRIWPGJX-RYUDHWBXSA-N 2 2 296.415 -0.489 20 0 CBADLP CNC(=O)C[NH+]1CC([C@H](C)NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001422758478 907995022 /nfs/dbraw/zinc/99/50/22/907995022.db2.gz XUHCMBDRIWPGJX-RYUDHWBXSA-N 2 2 296.415 -0.489 20 0 CBADLP C[C@H](CN(C)C(=O)Cc1[nH]cc[nH+]1)[NH2+][C@@H](C)C(=O)N(C)C ZINC001423128299 908115601 /nfs/dbraw/zinc/11/56/01/908115601.db2.gz BJWSOGQRIMLEJO-MNOVXSKESA-N 2 2 295.387 -0.135 20 0 CBADLP CCCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001423134514 908119293 /nfs/dbraw/zinc/11/92/93/908119293.db2.gz NSERZUAWXVZLCE-LLVKDONJSA-N 2 2 295.387 -0.085 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NC[C@H]1CC[NH+]1CC(=O)N1CCC1 ZINC001423151971 908122322 /nfs/dbraw/zinc/12/23/22/908122322.db2.gz HTWMVDAJFIWUGK-CYBMUJFWSA-N 2 2 296.415 -0.251 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NC[C@H]1CC[NH+]1CC(=O)N1CCC1 ZINC001423151971 908122334 /nfs/dbraw/zinc/12/23/34/908122334.db2.gz HTWMVDAJFIWUGK-CYBMUJFWSA-N 2 2 296.415 -0.251 20 0 CBADLP CC(C)[NH+](C)CC(=O)NC[C@H]1CC[N@@H+]1CC(=O)N1CCC1 ZINC001423151971 908122342 /nfs/dbraw/zinc/12/23/42/908122342.db2.gz HTWMVDAJFIWUGK-CYBMUJFWSA-N 2 2 296.415 -0.251 20 0 CBADLP CC(C)[NH+](C)CC(=O)NC[C@H]1CC[N@H+]1CC(=O)N1CCC1 ZINC001423151971 908122354 /nfs/dbraw/zinc/12/23/54/908122354.db2.gz HTWMVDAJFIWUGK-CYBMUJFWSA-N 2 2 296.415 -0.251 20 0 CBADLP CCC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001423224059 908164052 /nfs/dbraw/zinc/16/40/52/908164052.db2.gz BEWKEQUQEWVNRI-NWDGAFQWSA-N 2 2 280.372 -0.078 20 0 CBADLP NC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001423234710 908170783 /nfs/dbraw/zinc/17/07/83/908170783.db2.gz PKXXXLWCVYBHOR-SNVBAGLBSA-N 2 2 291.355 -0.831 20 0 CBADLP CC[C@H](C(=O)NC[C@H](CO)[NH2+]Cc1coc(C)n1)[NH+](C)C ZINC001423292343 908191090 /nfs/dbraw/zinc/19/10/90/908191090.db2.gz IELAWKXQMMSXSV-DGCLKSJQSA-N 2 2 298.387 -0.110 20 0 CBADLP CC[C@H](C(=O)NC[C@H](CO)[NH2+]Cc1ccn(C)n1)[NH+](C)C ZINC001423290373 908192658 /nfs/dbraw/zinc/19/26/58/908192658.db2.gz FAQOWRDZIKDQNQ-CHWSQXEVSA-N 2 2 297.403 -0.673 20 0 CBADLP CC[C@H](C(=O)N(C)C1C[NH+](C[C@@H](O)COC)C1)[NH+](C)C ZINC001423404601 908217395 /nfs/dbraw/zinc/21/73/95/908217395.db2.gz KBTYTWDSPZWDOE-CHWSQXEVSA-N 2 2 287.404 -0.524 20 0 CBADLP COC[C@H](O)C[NH2+]C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001423478880 908252702 /nfs/dbraw/zinc/25/27/02/908252702.db2.gz FOMZBKCQGBEMRL-QWHCGFSZSA-N 2 2 296.371 -0.529 20 0 CBADLP C[NH+]1CCC(NS(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001423555617 908277416 /nfs/dbraw/zinc/27/74/16/908277416.db2.gz BKIMBQWVVMZPSB-UHFFFAOYSA-N 2 2 276.406 -0.838 20 0 CBADLP C[C@H](O)C[N@@H+]1CC[C@](C)(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001423577810 908286828 /nfs/dbraw/zinc/28/68/28/908286828.db2.gz DOKKCBYDRQOUDW-FZMZJTMJSA-N 2 2 280.372 -0.076 20 0 CBADLP C[C@H](O)C[N@H+]1CC[C@](C)(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001423577810 908286836 /nfs/dbraw/zinc/28/68/36/908286836.db2.gz DOKKCBYDRQOUDW-FZMZJTMJSA-N 2 2 280.372 -0.076 20 0 CBADLP C[C@@H]([NH2+]C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C(C)(C)C)C(N)=O ZINC001423611549 908291266 /nfs/dbraw/zinc/29/12/66/908291266.db2.gz DJHFPKXHQFAYML-NXEZZACHSA-N 2 2 295.387 -0.054 20 0 CBADLP O=C(CCn1cc[nH+]c1)NCC1([NH2+]CCO)CCOCC1 ZINC001423715408 908308062 /nfs/dbraw/zinc/30/80/62/908308062.db2.gz QLXZSZZEEFTYDK-UHFFFAOYSA-N 2 2 296.371 -0.480 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@]1(O)CC[N@H+](CCCF)C1 ZINC001423797420 908333099 /nfs/dbraw/zinc/33/30/99/908333099.db2.gz NKZROETWLAOQCN-ZDUSSCGKSA-N 2 2 284.335 -0.135 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@]1(O)CC[N@@H+](CCCF)C1 ZINC001423797420 908333113 /nfs/dbraw/zinc/33/31/13/908333113.db2.gz NKZROETWLAOQCN-ZDUSSCGKSA-N 2 2 284.335 -0.135 20 0 CBADLP C[C@@H]1CC[N@H+](CC(=O)NCC2(O)C[NH+](CCCF)C2)C1 ZINC001423872260 908361177 /nfs/dbraw/zinc/36/11/77/908361177.db2.gz SNGGERGSIPEGGZ-GFCCVEGCSA-N 2 2 287.379 -0.149 20 0 CBADLP C[C@@H]1CC[N@@H+](CC(=O)NCC2(O)C[NH+](CCCF)C2)C1 ZINC001423872260 908361194 /nfs/dbraw/zinc/36/11/94/908361194.db2.gz SNGGERGSIPEGGZ-GFCCVEGCSA-N 2 2 287.379 -0.149 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NCC1(O)C[NH+](CCCF)C1 ZINC001423907128 908370066 /nfs/dbraw/zinc/37/00/66/908370066.db2.gz NWJVVHOSMOQGRQ-UHFFFAOYSA-N 2 2 284.335 -0.286 20 0 CBADLP O=C(CC[NH+]1CCCCC1)NCC1(O)C[NH+](CCCO)C1 ZINC001423910496 908370361 /nfs/dbraw/zinc/37/03/61/908370361.db2.gz JPLACAUSVKCFCK-UHFFFAOYSA-N 2 2 299.415 -0.592 20 0 CBADLP C[C@H]([NH2+]CC[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1)C(N)=O ZINC001424092305 908408049 /nfs/dbraw/zinc/40/80/49/908408049.db2.gz VNCHDAWDNHKGLJ-QWRGUYRKSA-N 2 2 293.371 -0.346 20 0 CBADLP CC[C@@H]([NH2+]CC1CC(NC(=O)Cn2cc[nH+]c2)C1)C(N)=O ZINC001424737298 908493804 /nfs/dbraw/zinc/49/38/04/908493804.db2.gz ZTDVDCFUGPMCHV-HTAVTVPLSA-N 2 2 293.371 -0.369 20 0 CBADLP C[C@H]([NH2+]CC1CC(NC(=O)CCn2cc[nH+]c2)C1)C(N)=O ZINC001424729828 908494253 /nfs/dbraw/zinc/49/42/53/908494253.db2.gz NIHLOFMNNZDYKP-UNXYVOJBSA-N 2 2 293.371 -0.369 20 0 CBADLP C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H](C)[NH2+]CCn1cncn1 ZINC001424821098 908511742 /nfs/dbraw/zinc/51/17/42/908511742.db2.gz BPNRIGICEGOKHD-WDEREUQCSA-N 2 2 291.359 -0.273 20 0 CBADLP C[C@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H](C)[NH2+]CCn1cncn1 ZINC001424821096 908511950 /nfs/dbraw/zinc/51/19/50/908511950.db2.gz BPNRIGICEGOKHD-QWRGUYRKSA-N 2 2 291.359 -0.273 20 0 CBADLP C[C@@H]([NH2+]CC(N)=O)[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001424832344 908513809 /nfs/dbraw/zinc/51/38/09/908513809.db2.gz GUHXMOZMLFDLLW-ZJUUUORDSA-N 2 2 281.360 -0.679 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NC[C@H](C)[N@H+](C)CC(=O)N(C)C ZINC001424983012 908545605 /nfs/dbraw/zinc/54/56/05/908545605.db2.gz ORJLWCBTKBJFJD-NSHDSACASA-N 2 2 295.387 -0.284 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NC[C@H](C)[N@@H+](C)CC(=O)N(C)C ZINC001424983012 908545616 /nfs/dbraw/zinc/54/56/16/908545616.db2.gz ORJLWCBTKBJFJD-NSHDSACASA-N 2 2 295.387 -0.284 20 0 CBADLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)[N@H+](C)[C@@H]1CCNC1=O ZINC001425063624 908564961 /nfs/dbraw/zinc/56/49/61/908564961.db2.gz XZNVWVVXPWVUMD-CMPLNLGQSA-N 2 2 293.371 -0.712 20 0 CBADLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)[N@@H+](C)[C@@H]1CCNC1=O ZINC001425063624 908564970 /nfs/dbraw/zinc/56/49/70/908564970.db2.gz XZNVWVVXPWVUMD-CMPLNLGQSA-N 2 2 293.371 -0.712 20 0 CBADLP C[C@@H](NC(=O)CC[NH+]1CCCCC1)C1C[NH+](CC(N)=O)C1 ZINC001425264562 908597538 /nfs/dbraw/zinc/59/75/38/908597538.db2.gz MUEMKSMPTBCABA-GFCCVEGCSA-N 2 2 296.415 -0.216 20 0 CBADLP CNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001425394704 908637430 /nfs/dbraw/zinc/63/74/30/908637430.db2.gz TUQHYSNDXATDHG-UMSPYCQHSA-N 2 2 293.371 -0.427 20 0 CBADLP CNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001425394704 908637440 /nfs/dbraw/zinc/63/74/40/908637440.db2.gz TUQHYSNDXATDHG-UMSPYCQHSA-N 2 2 293.371 -0.427 20 0 CBADLP Cn1cc[nH+]c1CCC(=O)N[C@H]1C[C@H](C[NH2+]CC(N)=O)C1 ZINC001425403262 908639499 /nfs/dbraw/zinc/63/94/99/908639499.db2.gz GELNRBJBXWRTNL-XYPYZODXSA-N 2 2 293.371 -0.678 20 0 CBADLP CNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001425413856 908644111 /nfs/dbraw/zinc/64/41/11/908644111.db2.gz ZTOYVAVGCVQRPJ-XYPYZODXSA-N 2 2 293.371 -0.509 20 0 CBADLP C[C@@H](CN(C)C(=O)Cc1[nH]cc[nH+]1)[NH2+][C@@H]1CCCNC1=O ZINC001425654804 908687846 /nfs/dbraw/zinc/68/78/46/908687846.db2.gz AKEWFUTVIVSTGU-WDEREUQCSA-N 2 2 293.371 -0.333 20 0 CBADLP C[C@@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+][C@@H]1CCCNC1=O ZINC001425693463 908693891 /nfs/dbraw/zinc/69/38/91/908693891.db2.gz KMSBUERHPLDOQF-NWDGAFQWSA-N 2 2 293.371 -0.402 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@H](CO)[NH2+]C[C@H]1CCCCO1 ZINC001425818017 908753310 /nfs/dbraw/zinc/75/33/10/908753310.db2.gz GIMAHIPUAHGYCW-QWHCGFSZSA-N 2 2 296.371 -0.412 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)NC[C@@H](CO)[NH2+]CCF ZINC001425846080 908761454 /nfs/dbraw/zinc/76/14/54/908761454.db2.gz BNSFTTCARFYEPG-JTQLQIEISA-N 2 2 272.324 -0.611 20 0 CBADLP CO[C@H](C)C[NH2+]C[C@@H](O)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001426031053 908803746 /nfs/dbraw/zinc/80/37/46/908803746.db2.gz MDCHIXJQUOZMFW-DGCLKSJQSA-N 2 2 298.387 -0.594 20 0 CBADLP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)NC(=O)CC[NH+](C)C ZINC001426504069 908873097 /nfs/dbraw/zinc/87/30/97/908873097.db2.gz OGDVJCMMEPPSRJ-NWDGAFQWSA-N 2 2 295.387 -0.156 20 0 CBADLP C[C@@H](NC(=O)CC[NH+](C)C)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001426504068 908875055 /nfs/dbraw/zinc/87/50/55/908875055.db2.gz OGDVJCMMEPPSRJ-NEPJUHHUSA-N 2 2 295.387 -0.156 20 0 CBADLP CNC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001505661661 921460600 /nfs/dbraw/zinc/46/06/00/921460600.db2.gz YDXLFQMDJHBQFK-WDEREUQCSA-N 2 2 295.387 -0.419 20 0 CBADLP CCNC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001505720426 921472280 /nfs/dbraw/zinc/47/22/80/921472280.db2.gz NZRIFHGVTRXDKN-ZJUUUORDSA-N 2 2 281.360 -0.429 20 0 CBADLP CCNC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001505720420 921472962 /nfs/dbraw/zinc/47/29/62/921472962.db2.gz NZRIFHGVTRXDKN-NXEZZACHSA-N 2 2 281.360 -0.429 20 0 CBADLP CC[N@H+](C)CCC(=O)N(C)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001429516407 909252343 /nfs/dbraw/zinc/25/23/43/909252343.db2.gz DKGUTVDFMACUMM-UHFFFAOYSA-N 2 2 295.387 -0.131 20 0 CBADLP CC[N@@H+](C)CCC(=O)N(C)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001429516407 909252353 /nfs/dbraw/zinc/25/23/53/909252353.db2.gz DKGUTVDFMACUMM-UHFFFAOYSA-N 2 2 295.387 -0.131 20 0 CBADLP CC[NH+](CC)CC(=O)N1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001432324070 909608171 /nfs/dbraw/zinc/60/81/71/909608171.db2.gz IGPUMXLVJZFLCM-UHFFFAOYSA-N 2 2 293.371 -0.379 20 0 CBADLP CC[C@@H](CNC(=O)Cn1cc[nH+]c1)NC(=O)CC[NH+](C)C ZINC001432733919 909653801 /nfs/dbraw/zinc/65/38/01/909653801.db2.gz KWAYMZOIDHZJAJ-LBPRGKRZSA-N 2 2 295.387 -0.154 20 0 CBADLP C[C@@H](CNC(=O)CCn1cc[nH+]c1)[N@H+](C)CCO ZINC001505973930 921514588 /nfs/dbraw/zinc/51/45/88/921514588.db2.gz DOUOHYLNQQMRPT-NSHDSACASA-N 2 2 254.334 -0.298 20 0 CBADLP C[C@@H](CNC(=O)CCn1cc[nH+]c1)[N@@H+](C)CCO ZINC001505973930 921514597 /nfs/dbraw/zinc/51/45/97/921514597.db2.gz DOUOHYLNQQMRPT-NSHDSACASA-N 2 2 254.334 -0.298 20 0 CBADLP C[C@H](O)C[NH+]1CC(CCO)(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001506115488 921550876 /nfs/dbraw/zinc/55/08/76/921550876.db2.gz RTKMFMQUDNCZOE-LBPRGKRZSA-N 2 2 299.415 -0.738 20 0 CBADLP Cc1ccc(O)c(C[NH2+]CC(=O)N2CC[NH+](C)CC2)n1 ZINC001434500675 910237339 /nfs/dbraw/zinc/23/73/39/910237339.db2.gz DNOZBJGDGJHEBX-UHFFFAOYSA-N 2 2 278.356 -0.041 20 0 CBADLP COCC[N@H+](C)CCNC(=O)NCCc1cn(C)c[nH+]1 ZINC001434770419 910328581 /nfs/dbraw/zinc/32/85/81/910328581.db2.gz KENZKBVITPMWPQ-UHFFFAOYSA-N 2 2 283.376 -0.160 20 0 CBADLP COCC[N@@H+](C)CCNC(=O)NCCc1cn(C)c[nH+]1 ZINC001434770419 910328598 /nfs/dbraw/zinc/32/85/98/910328598.db2.gz KENZKBVITPMWPQ-UHFFFAOYSA-N 2 2 283.376 -0.160 20 0 CBADLP CN(C[C@@H]1CC[N@@H+]1CC(=O)NC1CC1)C(=O)CC[NH+](C)C ZINC001436314970 910423608 /nfs/dbraw/zinc/42/36/08/910423608.db2.gz FXSCUQNLTFEHEB-ZDUSSCGKSA-N 2 2 296.415 -0.251 20 0 CBADLP CN(C[C@@H]1CC[N@H+]1CC(=O)NC1CC1)C(=O)CC[NH+](C)C ZINC001436314970 910423623 /nfs/dbraw/zinc/42/36/23/910423623.db2.gz FXSCUQNLTFEHEB-ZDUSSCGKSA-N 2 2 296.415 -0.251 20 0 CBADLP COC[C@H](O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001436325668 910427196 /nfs/dbraw/zinc/42/71/96/910427196.db2.gz SKPXSCGQYBYDQO-CHWSQXEVSA-N 2 2 296.371 -0.508 20 0 CBADLP COC[C@H](O)C[N@H+]1CC[C@@H]1CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001436325668 910427210 /nfs/dbraw/zinc/42/72/10/910427210.db2.gz SKPXSCGQYBYDQO-CHWSQXEVSA-N 2 2 296.371 -0.508 20 0 CBADLP CC[C@H](C(=O)N(C)C[C@H]1CC[N@@H+]1CC(=O)N(C)C)[NH+](C)C ZINC001436324694 910429479 /nfs/dbraw/zinc/42/94/79/910429479.db2.gz XGIOGUMBKMLVIO-CHWSQXEVSA-N 2 2 298.431 -0.053 20 0 CBADLP CC[C@H](C(=O)N(C)C[C@H]1CC[N@H+]1CC(=O)N(C)C)[NH+](C)C ZINC001436324694 910429490 /nfs/dbraw/zinc/42/94/90/910429490.db2.gz XGIOGUMBKMLVIO-CHWSQXEVSA-N 2 2 298.431 -0.053 20 0 CBADLP C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)Cc2c[nH+]cn2C)C1)C(N)=O ZINC001436364058 910434252 /nfs/dbraw/zinc/43/42/52/910434252.db2.gz HZIFUPVWBGIDEX-GARJFASQSA-N 2 2 293.371 -0.679 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1Cc1cn(C)nn1 ZINC001436480639 910448442 /nfs/dbraw/zinc/44/84/42/910448442.db2.gz HZSHDWPUOIVBTR-YPMHNXCESA-N 2 2 294.403 -0.154 20 0 CBADLP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@H+]1Cc1cn(C)nn1 ZINC001436480639 910448450 /nfs/dbraw/zinc/44/84/50/910448450.db2.gz HZSHDWPUOIVBTR-YPMHNXCESA-N 2 2 294.403 -0.154 20 0 CBADLP CNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001436871684 910498927 /nfs/dbraw/zinc/49/89/27/910498927.db2.gz ZPBIKNWLEFJIAF-HBNTYKKESA-N 2 2 291.355 -0.550 20 0 CBADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CC(=O)NC(C)(C)C ZINC001437205826 910586953 /nfs/dbraw/zinc/58/69/53/910586953.db2.gz CYORGHCUNCFNTO-SNVBAGLBSA-N 2 2 295.387 -0.039 20 0 CBADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CCN1CCCC1=O ZINC001437206239 910587316 /nfs/dbraw/zinc/58/73/16/910587316.db2.gz UPIPAWZLEMRUCK-NSHDSACASA-N 2 2 293.371 -0.331 20 0 CBADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@H]1CCN(C)C1=O ZINC001437219265 910588762 /nfs/dbraw/zinc/58/87/62/910588762.db2.gz IGUARCIHJRJDLH-UWVGGRQHSA-N 2 2 279.344 -0.723 20 0 CBADLP CCN1CC[C@@H]([NH2+][C@H](C)CNC(=O)Cc2c[nH]c[nH+]2)C1=O ZINC001437208273 910589364 /nfs/dbraw/zinc/58/93/64/910589364.db2.gz XVLQSIZYFDAOMX-ZYHUDNBSSA-N 2 2 293.371 -0.333 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001437323767 910614853 /nfs/dbraw/zinc/61/48/53/910614853.db2.gz IEAAWEHFDPDMQU-NWDGAFQWSA-N 2 2 293.371 -0.544 20 0 CBADLP CN(C)C(=O)C[N@H+](C)CCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001437486415 910660397 /nfs/dbraw/zinc/66/03/97/910660397.db2.gz ZFENGYHQALMSCI-ZDUSSCGKSA-N 2 2 298.431 -0.003 20 0 CBADLP CN(C)C(=O)C[N@@H+](C)CCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001437486415 910660408 /nfs/dbraw/zinc/66/04/08/910660408.db2.gz ZFENGYHQALMSCI-ZDUSSCGKSA-N 2 2 298.431 -0.003 20 0 CBADLP CN(C)C(=O)C[NH+](C)CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001437486415 910660419 /nfs/dbraw/zinc/66/04/19/910660419.db2.gz ZFENGYHQALMSCI-ZDUSSCGKSA-N 2 2 298.431 -0.003 20 0 CBADLP CN(C)C(=O)C[NH+](C)CCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001437486415 910660430 /nfs/dbraw/zinc/66/04/30/910660430.db2.gz ZFENGYHQALMSCI-ZDUSSCGKSA-N 2 2 298.431 -0.003 20 0 CBADLP CNC(=O)C[NH+]1CC([C@H](C)NC(=O)CCC[NH+](C)C)C1 ZINC001506646142 921596225 /nfs/dbraw/zinc/59/62/25/921596225.db2.gz AQOCASIMKLFSEW-NSHDSACASA-N 2 2 284.404 -0.489 20 0 CBADLP C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C1C[NH+](CC(N)=O)C1 ZINC001506642091 921596938 /nfs/dbraw/zinc/59/69/38/921596938.db2.gz OJSQWNBOYFAGBZ-LLVKDONJSA-N 2 2 296.415 -0.217 20 0 CBADLP CN(C)C(=O)C[N@H+](C)CCNC(=O)C[NH+]1CCCC1 ZINC001437563943 910690013 /nfs/dbraw/zinc/69/00/13/910690013.db2.gz RVAGOOJIFNQFAY-UHFFFAOYSA-N 2 2 270.377 -0.782 20 0 CBADLP CN(C)C(=O)C[N@@H+](C)CCNC(=O)C[NH+]1CCCC1 ZINC001437563943 910690028 /nfs/dbraw/zinc/69/00/28/910690028.db2.gz RVAGOOJIFNQFAY-UHFFFAOYSA-N 2 2 270.377 -0.782 20 0 CBADLP C[C@@H](NC(=O)Cn1cc[nH+]c1)C1C[NH+](CCCO)C1 ZINC001506682806 921604416 /nfs/dbraw/zinc/60/44/16/921604416.db2.gz NVDDJRZMVSFPMQ-LLVKDONJSA-N 2 2 266.345 -0.298 20 0 CBADLP Cn1ccc(C[NH+]2CC(NC(=O)CC[NH+](C)C)C2)cc1=O ZINC001438072936 910813813 /nfs/dbraw/zinc/81/38/13/910813813.db2.gz DTKDUCBTXSLPHF-UHFFFAOYSA-N 2 2 292.383 -0.363 20 0 CBADLP CNC(=O)[C@H](C)[NH+]1CC(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001438129234 910824878 /nfs/dbraw/zinc/82/48/78/910824878.db2.gz AXSUTZRGIRSDGH-NSHDSACASA-N 2 2 293.371 -0.626 20 0 CBADLP CC[C@@H](C(=O)NCC1C[NH+]([C@H]2CCNC2=O)C1)[NH+](C)C ZINC001438146173 910828799 /nfs/dbraw/zinc/82/87/99/910828799.db2.gz UUXAGGFFCWMJMC-RYUDHWBXSA-N 2 2 282.388 -0.737 20 0 CBADLP CC(C)[C@H](C(=O)N[C@@H]1CC[N@@H+]([C@H](C)C(N)=O)C1)[NH+](C)C ZINC001438211771 910841132 /nfs/dbraw/zinc/84/11/32/910841132.db2.gz WIMNQMHEOBYIFD-IJLUTSLNSA-N 2 2 284.404 -0.363 20 0 CBADLP CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+]([C@H](C)C(N)=O)C1)[NH+](C)C ZINC001438211771 910841139 /nfs/dbraw/zinc/84/11/39/910841139.db2.gz WIMNQMHEOBYIFD-IJLUTSLNSA-N 2 2 284.404 -0.363 20 0 CBADLP CC[C@H](C(=O)N[C@@H]1CC[N@@H+]([C@H](C)C(N)=O)C1)[NH+](C)C ZINC001438206395 910844813 /nfs/dbraw/zinc/84/48/13/910844813.db2.gz OAAXUDPXACKAHR-GMTAPVOTSA-N 2 2 270.377 -0.609 20 0 CBADLP CC[C@H](C(=O)N[C@@H]1CC[N@H+]([C@H](C)C(N)=O)C1)[NH+](C)C ZINC001438206395 910844828 /nfs/dbraw/zinc/84/48/28/910844828.db2.gz OAAXUDPXACKAHR-GMTAPVOTSA-N 2 2 270.377 -0.609 20 0 CBADLP CC[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@@H]1CCCNC1=O ZINC001438342428 910881705 /nfs/dbraw/zinc/88/17/05/910881705.db2.gz IZRGDEIGUIKULX-CMPLNLGQSA-N 2 2 293.371 -0.285 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC1(C[NH2+]CC(N)=O)CCCC1 ZINC001438394794 910886971 /nfs/dbraw/zinc/88/69/71/910886971.db2.gz BDYCIIYPFPDMQT-UHFFFAOYSA-N 2 2 293.371 -0.235 20 0 CBADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+]Cc1cnnn1C ZINC001438549067 910919595 /nfs/dbraw/zinc/91/95/95/910919595.db2.gz HPVFPHHWOMGIMA-NSHDSACASA-N 2 2 291.359 -0.446 20 0 CBADLP COC[C@H](O)C[NH2+]C[C@@H](C)N(C)C(=O)Cc1c[nH+]cn1C ZINC001438711730 910957932 /nfs/dbraw/zinc/95/79/32/910957932.db2.gz UCTUJBFCIIOSTR-DGCLKSJQSA-N 2 2 298.387 -0.594 20 0 CBADLP CCCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)Cn1cc[nH+]c1 ZINC001438715663 910961598 /nfs/dbraw/zinc/96/15/98/910961598.db2.gz QTCXVCUNTHBNQF-GFCCVEGCSA-N 2 2 295.387 -0.154 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]([NH2+][C@H](C)C(N)=O)C(C)C ZINC001438840976 910979724 /nfs/dbraw/zinc/97/97/24/910979724.db2.gz MMKLQWFBAXIHPF-ZYHUDNBSSA-N 2 2 295.387 -0.135 20 0 CBADLP CNC(=O)C[N@H+](C)CCN(C)C(=O)C[NH+](C)C1CCC1 ZINC001438884118 910991564 /nfs/dbraw/zinc/99/15/64/910991564.db2.gz UJTSMRJQVIWLDV-UHFFFAOYSA-N 2 2 284.404 -0.393 20 0 CBADLP CNC(=O)C[N@@H+](C)CCN(C)C(=O)C[NH+](C)C1CCC1 ZINC001438884118 910991573 /nfs/dbraw/zinc/99/15/73/910991573.db2.gz UJTSMRJQVIWLDV-UHFFFAOYSA-N 2 2 284.404 -0.393 20 0 CBADLP CNC(=O)C[NH+](C)CCN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001438884118 910991582 /nfs/dbraw/zinc/99/15/82/910991582.db2.gz UJTSMRJQVIWLDV-UHFFFAOYSA-N 2 2 284.404 -0.393 20 0 CBADLP CNC(=O)C[NH+](C)CCN(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001438884118 910991593 /nfs/dbraw/zinc/99/15/93/910991593.db2.gz UJTSMRJQVIWLDV-UHFFFAOYSA-N 2 2 284.404 -0.393 20 0 CBADLP NC(=O)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001438959310 911014688 /nfs/dbraw/zinc/01/46/88/911014688.db2.gz XFIKQZANEZELGP-JQWIXIFHSA-N 2 2 293.371 -0.298 20 0 CBADLP NC(=O)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001438959310 911014702 /nfs/dbraw/zinc/01/47/02/911014702.db2.gz XFIKQZANEZELGP-JQWIXIFHSA-N 2 2 293.371 -0.298 20 0 CBADLP CC[C@@H](C)NC(=O)C[NH2+]C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001439254261 911153513 /nfs/dbraw/zinc/15/35/13/911153513.db2.gz VOIAIVRVEBTSRN-MNOVXSKESA-N 2 2 295.387 -0.039 20 0 CBADLP C[C@@H](C[NH2+]Cc1nncn1C)NC(=O)Cn1cc[nH+]c1 ZINC001439288948 911165581 /nfs/dbraw/zinc/16/55/81/911165581.db2.gz DSGLIMZNSPVEOG-JTQLQIEISA-N 2 2 277.332 -0.694 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001439408699 911204111 /nfs/dbraw/zinc/20/41/11/911204111.db2.gz UEBAYTVDNVGOSK-WDEREUQCSA-N 2 2 281.360 -0.546 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001439408699 911204123 /nfs/dbraw/zinc/20/41/23/911204123.db2.gz UEBAYTVDNVGOSK-WDEREUQCSA-N 2 2 281.360 -0.546 20 0 CBADLP C[C@H]([NH2+]C[C@H](NC(=O)Cc1[nH]cc[nH+]1)C1CC1)C(N)=O ZINC001439490869 911220627 /nfs/dbraw/zinc/22/06/27/911220627.db2.gz XWHOPZJVADLNFU-WPRPVWTQSA-N 2 2 279.344 -0.690 20 0 CBADLP C[C@@H](CCC[NH2+]CC(N)=O)NC(=O)Cc1c[nH]c[nH+]1 ZINC001506942473 921644912 /nfs/dbraw/zinc/64/49/12/921644912.db2.gz OHPDZGGWVIYKGO-VIFPVBQESA-N 2 2 267.333 -0.688 20 0 CBADLP CN(C)C(=O)C[N@@H+]1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001439555495 911237507 /nfs/dbraw/zinc/23/75/07/911237507.db2.gz WLAKODRCVHDDAJ-NSHDSACASA-N 2 2 270.377 -0.783 20 0 CBADLP CN(C)C(=O)C[N@H+]1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001439555495 911237519 /nfs/dbraw/zinc/23/75/19/911237519.db2.gz WLAKODRCVHDDAJ-NSHDSACASA-N 2 2 270.377 -0.783 20 0 CBADLP CN(C)C(=O)C[NH2+]C1(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001439686660 911274994 /nfs/dbraw/zinc/27/49/94/911274994.db2.gz NOBLLGRBCNCTII-UHFFFAOYSA-N 2 2 279.344 -0.790 20 0 CBADLP C[C@@H](O)C[NH+]1CC(O)(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001440053971 911369566 /nfs/dbraw/zinc/36/95/66/911369566.db2.gz DWGTVSJSRXWOBH-OLZOCXBDSA-N 2 2 299.415 -0.596 20 0 CBADLP C[C@@H](O)C[NH+]1CC(O)(CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001440053971 911369587 /nfs/dbraw/zinc/36/95/87/911369587.db2.gz DWGTVSJSRXWOBH-OLZOCXBDSA-N 2 2 299.415 -0.596 20 0 CBADLP C[C@H](O)C[NH+]1CC(O)(CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001440053974 911369930 /nfs/dbraw/zinc/36/99/30/911369930.db2.gz DWGTVSJSRXWOBH-QWHCGFSZSA-N 2 2 299.415 -0.596 20 0 CBADLP C[C@H](O)C[NH+]1CC(O)(CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001440053974 911369947 /nfs/dbraw/zinc/36/99/47/911369947.db2.gz DWGTVSJSRXWOBH-QWHCGFSZSA-N 2 2 299.415 -0.596 20 0 CBADLP CO[C@H](C)C[NH+]1CC(O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001440087454 911379985 /nfs/dbraw/zinc/37/99/85/911379985.db2.gz DSNSAVOVEKYAJH-GFCCVEGCSA-N 2 2 297.399 -0.720 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC001440415625 911447101 /nfs/dbraw/zinc/44/71/01/911447101.db2.gz XFUMKDVVHBMCSK-WDEREUQCSA-N 2 2 293.371 -0.380 20 0 CBADLP CC[NH2+][C@@]1(CO)CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001440558049 911471603 /nfs/dbraw/zinc/47/16/03/911471603.db2.gz MYWOMOVSBCYKHT-AWEZNQCLSA-N 2 2 280.372 -0.074 20 0 CBADLP NC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001440717250 911495599 /nfs/dbraw/zinc/49/55/99/911495599.db2.gz VQVPXFUYVMTMIQ-JTQLQIEISA-N 2 2 279.344 -0.592 20 0 CBADLP C[C@@H]([NH2+]CC(N)=O)[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001440808658 911517398 /nfs/dbraw/zinc/51/73/98/911517398.db2.gz WRYVRBNTIBPMCT-ZJUUUORDSA-N 2 2 289.339 -0.084 20 0 CBADLP C[C@@H](NC(=O)c1cccc2[nH+]ccn21)[C@@H](C)[NH2+]CC(N)=O ZINC001440808655 911517499 /nfs/dbraw/zinc/51/74/99/911517499.db2.gz WRYVRBNTIBPMCT-NXEZZACHSA-N 2 2 289.339 -0.084 20 0 CBADLP C[C@H](NC(=O)Cc1c[nH]c[nH+]1)[C@H](C)[NH2+]Cc1cnnn1C ZINC001440856450 911533147 /nfs/dbraw/zinc/53/31/47/911533147.db2.gz ULTWKDFUPXAICS-UWVGGRQHSA-N 2 2 291.359 -0.236 20 0 CBADLP C[C@H](C(N)=O)[N@@H+](C)[C@@H](C)CNC(=O)CCCn1cc[nH+]c1 ZINC001441024840 911586474 /nfs/dbraw/zinc/58/64/74/911586474.db2.gz NEWJNQRHHFIBOQ-NWDGAFQWSA-N 2 2 295.387 -0.026 20 0 CBADLP C[C@H](C(N)=O)[N@H+](C)[C@@H](C)CNC(=O)CCCn1cc[nH+]c1 ZINC001441024840 911586488 /nfs/dbraw/zinc/58/64/88/911586488.db2.gz NEWJNQRHHFIBOQ-NWDGAFQWSA-N 2 2 295.387 -0.026 20 0 CBADLP COCC[NH+]1CC(CCO)(NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001441047693 911596631 /nfs/dbraw/zinc/59/66/31/911596631.db2.gz UDNRGAXQPCLADW-UHFFFAOYSA-N 2 2 299.415 -0.330 20 0 CBADLP C[C@H](NC(=O)CC[C@H]1CCC[N@@H+]1C)C1C[NH+](CC(N)=O)C1 ZINC001441165124 911615965 /nfs/dbraw/zinc/61/59/65/911615965.db2.gz STQDBWLKBWPPOR-WCQYABFASA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@H](NC(=O)CC[C@H]1CCC[N@H+]1C)C1C[NH+](CC(N)=O)C1 ZINC001441165124 911615982 /nfs/dbraw/zinc/61/59/82/911615982.db2.gz STQDBWLKBWPPOR-WCQYABFASA-N 2 2 296.415 -0.217 20 0 CBADLP CNC(=O)C[NH2+][C@H](CNC(=O)CCn1cc[nH+]c1)C1CC1 ZINC001441224652 911627058 /nfs/dbraw/zinc/62/70/58/911627058.db2.gz JKJBAEKCEXTHEB-GFCCVEGCSA-N 2 2 293.371 -0.496 20 0 CBADLP C[C@@H](CN(C)C(=O)CCc1[nH+]ccn1C)[NH2+]CC(N)=O ZINC001507109297 921678860 /nfs/dbraw/zinc/67/88/60/921678860.db2.gz XGTAPSYMHRZMTD-JTQLQIEISA-N 2 2 281.360 -0.726 20 0 CBADLP COC[C@H](O)C[NH2+][C@@H](C)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001441606246 911715902 /nfs/dbraw/zinc/71/59/02/911715902.db2.gz OKYSUWSVSNBSOZ-CMPLNLGQSA-N 2 2 284.360 -0.604 20 0 CBADLP CC[C@@H]([NH2+][C@@H](C)CN(C)C(=O)Cn1cc[nH+]c1)C(N)=O ZINC001441643610 911719310 /nfs/dbraw/zinc/71/93/10/911719310.db2.gz QXEPSSBCRGVVHL-WDEREUQCSA-N 2 2 281.360 -0.417 20 0 CBADLP NC(=O)C[NH2+]C[C@H]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001441897488 911845671 /nfs/dbraw/zinc/84/56/71/911845671.db2.gz SHCLEZWPAYDTQU-NWDGAFQWSA-N 2 2 293.371 -0.367 20 0 CBADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@H]1CCN(C)C1=O ZINC001441960292 911867565 /nfs/dbraw/zinc/86/75/65/911867565.db2.gz AIEFEJKDIRUIBU-ONGXEEELSA-N 2 2 279.344 -0.723 20 0 CBADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+][C@H]1CCCNC1=O ZINC001442065823 911913882 /nfs/dbraw/zinc/91/38/82/911913882.db2.gz FQCDOKAMSYHVSH-MNOVXSKESA-N 2 2 279.344 -0.744 20 0 CBADLP C[C@H](CNC(=O)CCCn1cc[nH+]c1)[NH2+][C@@H](C)C(N)=O ZINC001442059997 911917778 /nfs/dbraw/zinc/91/77/78/911917778.db2.gz MMAZVCFGAHIJBK-MNOVXSKESA-N 2 2 281.360 -0.369 20 0 CBADLP C[C@@H]([NH2+]C[C@H](NC(=O)Cn1cc[nH+]c1)C(C)(C)C)C(N)=O ZINC001442169824 911940204 /nfs/dbraw/zinc/94/02/04/911940204.db2.gz FKNQBYHSEYBLNB-MNOVXSKESA-N 2 2 295.387 -0.123 20 0 CBADLP C[C@H]([NH2+]C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)C(C)(C)C)C(N)=O ZINC001442165327 911941280 /nfs/dbraw/zinc/94/12/80/911941280.db2.gz QLRVSQBBCNSKRA-GXSJLCMTSA-N 2 2 295.387 -0.054 20 0 CBADLP C[C@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1cnon1 ZINC001442337403 911975125 /nfs/dbraw/zinc/97/51/25/911975125.db2.gz SAZAFCMVTFIIQQ-SNVBAGLBSA-N 2 2 278.316 -0.049 20 0 CBADLP CNC(=O)C[N@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001442404921 912003740 /nfs/dbraw/zinc/00/37/40/912003740.db2.gz MIRJRASLKZJSGJ-GFCCVEGCSA-N 2 2 284.404 -0.347 20 0 CBADLP CNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001442404921 912003756 /nfs/dbraw/zinc/00/37/56/912003756.db2.gz MIRJRASLKZJSGJ-GFCCVEGCSA-N 2 2 284.404 -0.347 20 0 CBADLP CNC(=O)C[NH+](C)CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001442404921 912003766 /nfs/dbraw/zinc/00/37/66/912003766.db2.gz MIRJRASLKZJSGJ-GFCCVEGCSA-N 2 2 284.404 -0.347 20 0 CBADLP CNC(=O)C[NH+](C)CCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001442404921 912003778 /nfs/dbraw/zinc/00/37/78/912003778.db2.gz MIRJRASLKZJSGJ-GFCCVEGCSA-N 2 2 284.404 -0.347 20 0 CBADLP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CC(=O)N(C)C ZINC001442407546 912004090 /nfs/dbraw/zinc/00/40/90/912004090.db2.gz FFUXMQYIKPGJLB-ZDUSSCGKSA-N 2 2 298.431 -0.003 20 0 CBADLP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CC(=O)N(C)C ZINC001442407546 912004105 /nfs/dbraw/zinc/00/41/05/912004105.db2.gz FFUXMQYIKPGJLB-ZDUSSCGKSA-N 2 2 298.431 -0.003 20 0 CBADLP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)CC(=O)N(C)C ZINC001442407546 912004122 /nfs/dbraw/zinc/00/41/22/912004122.db2.gz FFUXMQYIKPGJLB-ZDUSSCGKSA-N 2 2 298.431 -0.003 20 0 CBADLP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)CC(=O)N(C)C ZINC001442407546 912004142 /nfs/dbraw/zinc/00/41/42/912004142.db2.gz FFUXMQYIKPGJLB-ZDUSSCGKSA-N 2 2 298.431 -0.003 20 0 CBADLP C[C@@H]1[C@H](C(=O)NCC[NH+](C)CC(=O)NC2CC2)CC[N@@H+]1C ZINC001442417922 912010238 /nfs/dbraw/zinc/01/02/38/912010238.db2.gz YMBMKEVGZSCTLB-DGCLKSJQSA-N 2 2 296.415 -0.347 20 0 CBADLP C[C@@H]1[C@H](C(=O)NCC[NH+](C)CC(=O)NC2CC2)CC[N@H+]1C ZINC001442417922 912010248 /nfs/dbraw/zinc/01/02/48/912010248.db2.gz YMBMKEVGZSCTLB-DGCLKSJQSA-N 2 2 296.415 -0.347 20 0 CBADLP C[C@@H]1[C@H](C(=O)NCC[N@H+](C)CC(=O)NC2CC2)CC[NH+]1C ZINC001442417922 912010264 /nfs/dbraw/zinc/01/02/64/912010264.db2.gz YMBMKEVGZSCTLB-DGCLKSJQSA-N 2 2 296.415 -0.347 20 0 CBADLP C[C@@H]1[C@H](C(=O)NCC[N@@H+](C)CC(=O)NC2CC2)CC[NH+]1C ZINC001442417922 912010274 /nfs/dbraw/zinc/01/02/74/912010274.db2.gz YMBMKEVGZSCTLB-DGCLKSJQSA-N 2 2 296.415 -0.347 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001442522055 912039908 /nfs/dbraw/zinc/03/99/08/912039908.db2.gz XITDTDIZHWZPJE-UHFFFAOYSA-N 2 2 298.431 -0.099 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001442522055 912039929 /nfs/dbraw/zinc/03/99/29/912039929.db2.gz XITDTDIZHWZPJE-UHFFFAOYSA-N 2 2 298.431 -0.099 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC001442812316 912108619 /nfs/dbraw/zinc/10/86/19/912108619.db2.gz RGRAABDRIZJVBO-LBPRGKRZSA-N 2 2 280.372 -0.074 20 0 CBADLP Cn1c[nH+]cc1CC(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC001442812316 912108627 /nfs/dbraw/zinc/10/86/27/912108627.db2.gz RGRAABDRIZJVBO-LBPRGKRZSA-N 2 2 280.372 -0.074 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1CCC[N@@H+]1[C@H]1CCNC1=O ZINC001442849214 912115397 /nfs/dbraw/zinc/11/53/97/912115397.db2.gz QQBAHDUKNPDHRS-RYUDHWBXSA-N 2 2 291.355 -0.648 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1CCC[N@H+]1[C@H]1CCNC1=O ZINC001442849214 912115403 /nfs/dbraw/zinc/11/54/03/912115403.db2.gz QQBAHDUKNPDHRS-RYUDHWBXSA-N 2 2 291.355 -0.648 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001442900310 912122043 /nfs/dbraw/zinc/12/20/43/912122043.db2.gz AWYUFVGDRJMRPM-RYUDHWBXSA-N 2 2 293.371 -0.415 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001442900310 912122050 /nfs/dbraw/zinc/12/20/50/912122050.db2.gz AWYUFVGDRJMRPM-RYUDHWBXSA-N 2 2 293.371 -0.415 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NCC[N@@H+]([C@@H](C)C(N)=O)C1CC1 ZINC001443029673 912144078 /nfs/dbraw/zinc/14/40/78/912144078.db2.gz PSJYUEQDJQDSMK-NSHDSACASA-N 2 2 293.371 -0.354 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NCC[N@H+]([C@@H](C)C(N)=O)C1CC1 ZINC001443029673 912144082 /nfs/dbraw/zinc/14/40/82/912144082.db2.gz PSJYUEQDJQDSMK-NSHDSACASA-N 2 2 293.371 -0.354 20 0 CBADLP C[C@H]([NH2+]CCN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1)C(N)=O ZINC001443085199 912153904 /nfs/dbraw/zinc/15/39/04/912153904.db2.gz RICHLSWFKSEDSR-QWRGUYRKSA-N 2 2 293.371 -0.633 20 0 CBADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C1COCCOC1 ZINC001462430352 914879439 /nfs/dbraw/zinc/87/94/39/914879439.db2.gz SNLXBHLCWFWMGA-LBPRGKRZSA-N 2 2 271.361 -0.669 20 0 CBADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C1COCCOC1 ZINC001462430352 914879455 /nfs/dbraw/zinc/87/94/55/914879455.db2.gz SNLXBHLCWFWMGA-LBPRGKRZSA-N 2 2 271.361 -0.669 20 0 CBADLP COCC[NH2+][C@H](CO)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001507207716 921741909 /nfs/dbraw/zinc/74/19/09/921741909.db2.gz VOAJXHJFXREJJX-LBPRGKRZSA-N 2 2 298.387 -0.360 20 0 CBADLP CC(C)[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001507210761 921743319 /nfs/dbraw/zinc/74/33/19/921743319.db2.gz DOSMLBWQVUJETD-VXGBXAGGSA-N 2 2 280.372 -0.079 20 0 CBADLP C[C@H](O)C[NH+]1CCN(C(=O)C[N@H+](C)[C@@H]2CCC[C@H]2O)CC1 ZINC001467309960 915198728 /nfs/dbraw/zinc/19/87/28/915198728.db2.gz OSENWLPLWRKEDB-BFHYXJOUSA-N 2 2 299.415 -0.643 20 0 CBADLP C[C@H](O)C[NH+]1CCN(C(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2O)CC1 ZINC001467309960 915198737 /nfs/dbraw/zinc/19/87/37/915198737.db2.gz OSENWLPLWRKEDB-BFHYXJOUSA-N 2 2 299.415 -0.643 20 0 CBADLP CC(C)C[NH2+][C@@H](CO)CNC(=O)CCn1cc[nH+]c1 ZINC001507223355 921754980 /nfs/dbraw/zinc/75/49/80/921754980.db2.gz XWANZEISTJEZHV-GFCCVEGCSA-N 2 2 268.361 -0.004 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC001468956943 915355341 /nfs/dbraw/zinc/35/53/41/915355341.db2.gz ZDKRPYNKMRJLOT-LLVKDONJSA-N 2 2 266.345 -0.283 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC001468956943 915355360 /nfs/dbraw/zinc/35/53/60/915355360.db2.gz ZDKRPYNKMRJLOT-LLVKDONJSA-N 2 2 266.345 -0.283 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H](CO)[NH2+]C/C=C/Cl ZINC001507240857 921775262 /nfs/dbraw/zinc/77/52/62/921775262.db2.gz PSMGRFLMYFGAJI-TXXBHVLJSA-N 2 2 272.736 -0.229 20 0 CBADLP CC(C)[N@H+](C)CC(=O)NC[C@H](CO)[NH2+]Cc1ccon1 ZINC001507264917 921795869 /nfs/dbraw/zinc/79/58/69/921795869.db2.gz MQQDXOMGNAMBKU-GFCCVEGCSA-N 2 2 284.360 -0.419 20 0 CBADLP CC(C)[N@@H+](C)CC(=O)NC[C@H](CO)[NH2+]Cc1ccon1 ZINC001507264917 921795879 /nfs/dbraw/zinc/79/58/79/921795879.db2.gz MQQDXOMGNAMBKU-GFCCVEGCSA-N 2 2 284.360 -0.419 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@H](CO)[NH2+]CCC1CC1 ZINC001507267395 921797338 /nfs/dbraw/zinc/79/73/38/921797338.db2.gz OMTHSDVDPOSSSS-GFCCVEGCSA-N 2 2 266.345 -0.250 20 0 CBADLP C[NH+](C)Cc1cnc(C[NH2+]C[C@H](O)Cn2ccnn2)s1 ZINC001474173991 915885133 /nfs/dbraw/zinc/88/51/33/915885133.db2.gz HILDPRTYAMGVIW-JTQLQIEISA-N 2 2 296.400 -0.053 20 0 CBADLP CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001479263323 916104787 /nfs/dbraw/zinc/10/47/87/916104787.db2.gz CXWNKIJPCLPGEE-QWHCGFSZSA-N 2 2 296.415 -0.393 20 0 CBADLP CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001479263323 916104789 /nfs/dbraw/zinc/10/47/89/916104789.db2.gz CXWNKIJPCLPGEE-QWHCGFSZSA-N 2 2 296.415 -0.393 20 0 CBADLP CCNC(=O)C[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001479263323 916104792 /nfs/dbraw/zinc/10/47/92/916104792.db2.gz CXWNKIJPCLPGEE-QWHCGFSZSA-N 2 2 296.415 -0.393 20 0 CBADLP CCNC(=O)C[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001479263323 916104795 /nfs/dbraw/zinc/10/47/95/916104795.db2.gz CXWNKIJPCLPGEE-QWHCGFSZSA-N 2 2 296.415 -0.393 20 0 CBADLP CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001479263321 916105220 /nfs/dbraw/zinc/10/52/20/916105220.db2.gz CXWNKIJPCLPGEE-CHWSQXEVSA-N 2 2 296.415 -0.393 20 0 CBADLP CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001479263321 916105228 /nfs/dbraw/zinc/10/52/28/916105228.db2.gz CXWNKIJPCLPGEE-CHWSQXEVSA-N 2 2 296.415 -0.393 20 0 CBADLP CCNC(=O)C[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001479263321 916105237 /nfs/dbraw/zinc/10/52/37/916105237.db2.gz CXWNKIJPCLPGEE-CHWSQXEVSA-N 2 2 296.415 -0.393 20 0 CBADLP CCNC(=O)C[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001479263321 916105247 /nfs/dbraw/zinc/10/52/47/916105247.db2.gz CXWNKIJPCLPGEE-CHWSQXEVSA-N 2 2 296.415 -0.393 20 0 CBADLP CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001479345995 916118823 /nfs/dbraw/zinc/11/88/23/916118823.db2.gz JRNYWKMPRWGLNA-TXEJJXNPSA-N 2 2 293.371 -0.496 20 0 CBADLP CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001479331177 916120127 /nfs/dbraw/zinc/12/01/27/916120127.db2.gz YLNFBWZKSUYCKX-PHIMTYICSA-N 2 2 293.371 -0.427 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NCCC[N@@H+](CCO)C1CC1 ZINC001479876227 916206317 /nfs/dbraw/zinc/20/63/17/916206317.db2.gz KXLNHYATWOXBIS-UHFFFAOYSA-N 2 2 266.345 -0.085 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NCCC[N@H+](CCO)C1CC1 ZINC001479876227 916206336 /nfs/dbraw/zinc/20/63/36/916206336.db2.gz KXLNHYATWOXBIS-UHFFFAOYSA-N 2 2 266.345 -0.085 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@H](CNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001480069153 916278803 /nfs/dbraw/zinc/27/88/03/916278803.db2.gz NOJNRGIWYINURI-CMPLNLGQSA-N 2 2 293.371 -0.498 20 0 CBADLP CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001480236683 916339971 /nfs/dbraw/zinc/33/99/71/916339971.db2.gz XYHZVNOLGPWOEU-PHIMTYICSA-N 2 2 293.371 -0.366 20 0 CBADLP CN(C)C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001480240048 916346252 /nfs/dbraw/zinc/34/62/52/916346252.db2.gz SJTMAGRBMSBQOE-PHIMTYICSA-N 2 2 279.344 -0.792 20 0 CBADLP NC(=O)C[NH2+]C[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001480301182 916353764 /nfs/dbraw/zinc/35/37/64/916353764.db2.gz UJPOJCAHGTXMMQ-SNVBAGLBSA-N 2 2 279.344 -0.734 20 0 CBADLP NC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001480331577 916359738 /nfs/dbraw/zinc/35/97/38/916359738.db2.gz MXCXCOACFHKINR-LBPRGKRZSA-N 2 2 282.388 -0.462 20 0 CBADLP NC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001480331577 916359758 /nfs/dbraw/zinc/35/97/58/916359758.db2.gz MXCXCOACFHKINR-LBPRGKRZSA-N 2 2 282.388 -0.462 20 0 CBADLP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CC[C@H](C[NH2+]CCO)C1 ZINC001480650838 916510797 /nfs/dbraw/zinc/51/07/97/916510797.db2.gz GBGPDKKZVBRFLK-CHWSQXEVSA-N 2 2 292.383 -0.124 20 0 CBADLP C[C@H](CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1)[NH2+]CC(N)=O ZINC001480775064 916537914 /nfs/dbraw/zinc/53/79/14/916537914.db2.gz YWOFYSWIAJSAMC-GHMZBOCLSA-N 2 2 293.371 -0.585 20 0 CBADLP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC[NH+](C)CC(=O)N(C)C ZINC001480950877 916648634 /nfs/dbraw/zinc/64/86/34/916648634.db2.gz MAZRFWFZSKXUEW-BETUJISGSA-N 2 2 298.431 -0.005 20 0 CBADLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC[NH+](C)CC(=O)N(C)C ZINC001480950877 916648637 /nfs/dbraw/zinc/64/86/37/916648637.db2.gz MAZRFWFZSKXUEW-BETUJISGSA-N 2 2 298.431 -0.005 20 0 CBADLP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NCC[N@H+](C)CC(=O)N(C)C ZINC001480950877 916648645 /nfs/dbraw/zinc/64/86/45/916648645.db2.gz MAZRFWFZSKXUEW-BETUJISGSA-N 2 2 298.431 -0.005 20 0 CBADLP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NCC[N@@H+](C)CC(=O)N(C)C ZINC001480950877 916648650 /nfs/dbraw/zinc/64/86/50/916648650.db2.gz MAZRFWFZSKXUEW-BETUJISGSA-N 2 2 298.431 -0.005 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001481125164 916720526 /nfs/dbraw/zinc/72/05/26/916720526.db2.gz ATZYYAVPUDCDHB-VXGBXAGGSA-N 2 2 291.355 -0.790 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001481125164 916720542 /nfs/dbraw/zinc/72/05/42/916720542.db2.gz ATZYYAVPUDCDHB-VXGBXAGGSA-N 2 2 291.355 -0.790 20 0 CBADLP CN(CC[NH2+]CCO)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001481250563 916788947 /nfs/dbraw/zinc/78/89/47/916788947.db2.gz OLQMNZMIXVSVCK-NSHDSACASA-N 2 2 266.345 -0.514 20 0 CBADLP C[C@H](O)C[NH2+]CCN(C)C(=O)CCn1cc[nH+]c1 ZINC001481263812 916793399 /nfs/dbraw/zinc/79/33/99/916793399.db2.gz ADABXHIDVAYTMZ-NSHDSACASA-N 2 2 254.334 -0.298 20 0 CBADLP CN(CC[NH2+]Cc1cncn1C)C(=O)Cc1c[nH+]c[nH]1 ZINC001481284613 916806407 /nfs/dbraw/zinc/80/64/07/916806407.db2.gz AIFAUNOHIJCFJQ-UHFFFAOYSA-N 2 2 276.344 -0.066 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001481291071 916810412 /nfs/dbraw/zinc/81/04/12/916810412.db2.gz WBBKWDAUUZZHHC-MNOVXSKESA-N 2 2 295.387 -0.229 20 0 CBADLP CNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001481291071 916810428 /nfs/dbraw/zinc/81/04/28/916810428.db2.gz WBBKWDAUUZZHHC-MNOVXSKESA-N 2 2 295.387 -0.229 20 0 CBADLP O=C(CCCn1cc[nH+]c1)NCC1C[NH+](CCO)C1 ZINC001481661852 916934283 /nfs/dbraw/zinc/93/42/83/916934283.db2.gz KRCHTVCDRNQWMN-UHFFFAOYSA-N 2 2 266.345 -0.296 20 0 CBADLP CC[C@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]CC(=O)N(C)C ZINC001481837878 916999510 /nfs/dbraw/zinc/99/95/10/916999510.db2.gz QXGMOXBESSUIHN-GFCCVEGCSA-N 2 2 295.387 -0.154 20 0 CBADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)C[NH2+]CC(=O)NC1CC1 ZINC001482145788 917062040 /nfs/dbraw/zinc/06/20/40/917062040.db2.gz VQRCMYDIQSICRL-JTQLQIEISA-N 2 2 293.371 -0.427 20 0 CBADLP CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001482158257 917071589 /nfs/dbraw/zinc/07/15/89/917071589.db2.gz CMBIZEMQIHYBFG-LLVKDONJSA-N 2 2 295.387 -0.559 20 0 CBADLP CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001482290568 917116646 /nfs/dbraw/zinc/11/66/46/917116646.db2.gz BZUQPGARTTVBAX-NSHDSACASA-N 2 2 295.387 -0.085 20 0 CBADLP CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001482290568 917116653 /nfs/dbraw/zinc/11/66/53/917116653.db2.gz BZUQPGARTTVBAX-NSHDSACASA-N 2 2 295.387 -0.085 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001482340662 917131924 /nfs/dbraw/zinc/13/19/24/917131924.db2.gz LLUOPTLJEHYDJM-GHMZBOCLSA-N 2 2 295.387 -0.229 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001482340662 917131932 /nfs/dbraw/zinc/13/19/32/917131932.db2.gz LLUOPTLJEHYDJM-GHMZBOCLSA-N 2 2 295.387 -0.229 20 0 CBADLP CC(C)C[C@@H](C[NH2+][C@H](C)C(N)=O)NC(=O)Cc1c[nH]c[nH+]1 ZINC001482392843 917142375 /nfs/dbraw/zinc/14/23/75/917142375.db2.gz JMUPJKDNORPABY-PWSUYJOCSA-N 2 2 295.387 -0.054 20 0 CBADLP COCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001482743907 917248404 /nfs/dbraw/zinc/24/84/04/917248404.db2.gz LMFAGKQHKYGRGB-VXGBXAGGSA-N 2 2 296.371 -0.841 20 0 CBADLP Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)C[NH+]2CCCC2)o1 ZINC001482791946 917288962 /nfs/dbraw/zinc/28/89/62/917288962.db2.gz FMLYCWSZLCAAKN-NSHDSACASA-N 2 2 297.359 -0.959 20 0 CBADLP C[C@@H](CC[NH2+][C@@H](C)C(=O)N(C)C)NC(=O)Cn1cc[nH+]c1 ZINC001482906516 917328956 /nfs/dbraw/zinc/32/89/56/917328956.db2.gz ZWKXWPNYANJRQP-RYUDHWBXSA-N 2 2 295.387 -0.156 20 0 CBADLP CCN(CC[NH2+]Cc1cnnn1C)C(=O)Cn1cc[nH+]c1 ZINC001482971483 917351034 /nfs/dbraw/zinc/35/10/34/917351034.db2.gz IQOADLFERDFXOE-UHFFFAOYSA-N 2 2 291.359 -0.350 20 0 CBADLP C[C@H]([NH2+]C/C=C\CNC(=O)CC[NH+](C)C)c1nnnn1C ZINC001483054237 917390996 /nfs/dbraw/zinc/39/09/96/917390996.db2.gz LRDQEFQOBQGCLX-GZTOBOFZSA-N 2 2 295.391 -0.515 20 0 CBADLP CCN(C)C(=O)C[NH2+]C/C=C\CNC(=O)Cc1[nH]cc[nH+]1 ZINC001483079383 917400931 /nfs/dbraw/zinc/40/09/31/917400931.db2.gz WJZXEWGVRNNJTC-PLNGDYQASA-N 2 2 293.371 -0.308 20 0 CBADLP CCNC(=O)C[NH2+]C/C=C/CNC(=O)Cn1cc[nH+]c1 ZINC001483100808 917408541 /nfs/dbraw/zinc/40/85/41/917408541.db2.gz OPCBGHHCCYXKFF-ONEGZZNKSA-N 2 2 279.344 -0.719 20 0 CBADLP CCNC(=O)C[NH2+]C/C=C\CNC(=O)Cn1cc[nH+]c1 ZINC001483100807 917408837 /nfs/dbraw/zinc/40/88/37/917408837.db2.gz OPCBGHHCCYXKFF-ARJAWSKDSA-N 2 2 279.344 -0.719 20 0 CBADLP C[C@@H](C[NH2+]Cc1ccnn1C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001483217522 917474594 /nfs/dbraw/zinc/47/45/94/917474594.db2.gz SOZXTHZSZRCBBP-AAEUAGOBSA-N 2 2 295.387 -0.655 20 0 CBADLP C[C@@H](C[NH2+]Cc1ccnn1C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001483217522 917474605 /nfs/dbraw/zinc/47/46/05/917474605.db2.gz SOZXTHZSZRCBBP-AAEUAGOBSA-N 2 2 295.387 -0.655 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[NH2+]Cc1ncnn1C ZINC001483249500 917491140 /nfs/dbraw/zinc/49/11/40/917491140.db2.gz XNHHMVWKPGWZTI-JTQLQIEISA-N 2 2 291.359 -0.385 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[N@H+](C)CC(N)=O ZINC001483364855 917552085 /nfs/dbraw/zinc/55/20/85/917552085.db2.gz ZQYAPOOSKXCIOY-VIFPVBQESA-N 2 2 267.333 -0.887 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[N@@H+](C)CC(N)=O ZINC001483364855 917552094 /nfs/dbraw/zinc/55/20/94/917552094.db2.gz ZQYAPOOSKXCIOY-VIFPVBQESA-N 2 2 267.333 -0.887 20 0 CBADLP C[C@H](CC(=O)N(C)CCC[NH2+]CC(N)=O)n1cc[nH+]c1 ZINC001483494454 917582917 /nfs/dbraw/zinc/58/29/17/917582917.db2.gz LOBLXAUUIOITDJ-LLVKDONJSA-N 2 2 281.360 -0.242 20 0 CBADLP C[C@H](O)C[NH2+]C[C@H](NC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001483589903 917601668 /nfs/dbraw/zinc/60/16/68/917601668.db2.gz JUEWSGMVAOVRNF-CABZTGNLSA-N 2 2 266.345 -0.183 20 0 CBADLP C[C@@]1(NC(=O)Cn2cc[nH+]c2)CC[N@H+](CCCO)C1 ZINC001484074300 917737372 /nfs/dbraw/zinc/73/73/72/917737372.db2.gz QYTYBXZWCNZTCQ-CYBMUJFWSA-N 2 2 266.345 -0.154 20 0 CBADLP C[C@@]1(NC(=O)Cn2cc[nH+]c2)CC[N@@H+](CCCO)C1 ZINC001484074300 917737378 /nfs/dbraw/zinc/73/73/78/917737378.db2.gz QYTYBXZWCNZTCQ-CYBMUJFWSA-N 2 2 266.345 -0.154 20 0 CBADLP COCC[N@@H+]1CC[C@](O)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001484229037 917779145 /nfs/dbraw/zinc/77/91/45/917779145.db2.gz CTKPLQSLPXCXQA-AWEZNQCLSA-N 2 2 296.371 -0.527 20 0 CBADLP COCC[N@H+]1CC[C@](O)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001484229037 917779160 /nfs/dbraw/zinc/77/91/60/917779160.db2.gz CTKPLQSLPXCXQA-AWEZNQCLSA-N 2 2 296.371 -0.527 20 0 CBADLP CC[N@@H+]1CC[C@](O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001484239556 917785351 /nfs/dbraw/zinc/78/53/51/917785351.db2.gz AHKODPQMJMDSGB-LBPRGKRZSA-N 2 2 252.318 -0.475 20 0 CBADLP CC[N@H+]1CC[C@](O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001484239556 917785370 /nfs/dbraw/zinc/78/53/70/917785370.db2.gz AHKODPQMJMDSGB-LBPRGKRZSA-N 2 2 252.318 -0.475 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@]1(O)CC[N@H+](CC2CC2)C1 ZINC001484243521 917785994 /nfs/dbraw/zinc/78/59/94/917785994.db2.gz XYUATUDZCTYOHE-CQSZACIVSA-N 2 2 278.356 -0.085 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@]1(O)CC[N@@H+](CC2CC2)C1 ZINC001484243521 917786008 /nfs/dbraw/zinc/78/60/08/917786008.db2.gz XYUATUDZCTYOHE-CQSZACIVSA-N 2 2 278.356 -0.085 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)NCC1(O)C[NH+](CC2CC2)C1 ZINC001484263883 917808340 /nfs/dbraw/zinc/80/83/40/917808340.db2.gz GQJKWLKDPJIGQD-GFCCVEGCSA-N 2 2 267.373 -0.347 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)NCC1(O)C[NH+](CC2CC2)C1 ZINC001484263883 917808350 /nfs/dbraw/zinc/80/83/50/917808350.db2.gz GQJKWLKDPJIGQD-GFCCVEGCSA-N 2 2 267.373 -0.347 20 0 CBADLP CC[C@H](C[NH+]1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1)OC ZINC001484310478 917827070 /nfs/dbraw/zinc/82/70/70/917827070.db2.gz NNJQDEHTNWJLLP-CHWSQXEVSA-N 2 2 299.415 -0.474 20 0 CBADLP CC[C@H](C[NH+]1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1)OC ZINC001484310478 917827079 /nfs/dbraw/zinc/82/70/79/917827079.db2.gz NNJQDEHTNWJLLP-CHWSQXEVSA-N 2 2 299.415 -0.474 20 0 CBADLP C[C@@H](F)CC[NH+]1CC(O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001484309439 917827972 /nfs/dbraw/zinc/82/79/72/917827972.db2.gz BFYQAVBOCVAPCU-GFCCVEGCSA-N 2 2 287.379 -0.007 20 0 CBADLP C[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+]CCCO ZINC001484385957 917837107 /nfs/dbraw/zinc/83/71/07/917837107.db2.gz SYVJLTJZNCDQJQ-QWHCGFSZSA-N 2 2 280.372 -0.050 20 0 CBADLP C[C@@H](NC(=O)Cc1c[nH+]cn1C)[C@H](C)[NH2+]CCO ZINC001485213667 918026731 /nfs/dbraw/zinc/02/67/31/918026731.db2.gz FSCNUUTUOCYRHT-VHSXEESVSA-N 2 2 254.334 -0.562 20 0 CBADLP CC(C)NC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001485234886 918035962 /nfs/dbraw/zinc/03/59/62/918035962.db2.gz OYEIHYNNECPFFM-NWDGAFQWSA-N 2 2 295.387 -0.110 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+](C)[C@@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001485378868 918102731 /nfs/dbraw/zinc/10/27/31/918102731.db2.gz ZUXIYNMESYZQRY-CABZTGNLSA-N 2 2 295.387 -0.039 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+](C)[C@@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001485378868 918102738 /nfs/dbraw/zinc/10/27/38/918102738.db2.gz ZUXIYNMESYZQRY-CABZTGNLSA-N 2 2 295.387 -0.039 20 0 CBADLP CNC(=O)C[NH+]1CC([C@H](C)NC(=O)Cn2c[nH+]cc2C)C1 ZINC001485512731 918135397 /nfs/dbraw/zinc/13/53/97/918135397.db2.gz RCFZEFVRDFNYDR-NSHDSACASA-N 2 2 293.371 -0.626 20 0 CBADLP CNC(=O)C[NH2+]CCC[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001485745158 918180079 /nfs/dbraw/zinc/18/00/79/918180079.db2.gz QULZHXUEGUJHMD-NSHDSACASA-N 2 2 295.387 -0.417 20 0 CBADLP C[C@H](CN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1)[NH2+]CCO ZINC001485893167 918220939 /nfs/dbraw/zinc/22/09/39/918220939.db2.gz IJXVKVZEXHWMCV-NEPJUHHUSA-N 2 2 280.372 -0.126 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@H](C)CN(C)C(=O)CCn1cc[nH+]c1 ZINC001485905878 918222253 /nfs/dbraw/zinc/22/22/53/918222253.db2.gz LJOSFLLNDWGBAR-VXGBXAGGSA-N 2 2 295.387 -0.156 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)CCn1cc[nH+]c1 ZINC001485905874 918223709 /nfs/dbraw/zinc/22/37/09/918223709.db2.gz LJOSFLLNDWGBAR-NWDGAFQWSA-N 2 2 295.387 -0.156 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+][C@H](C)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001485937454 918236946 /nfs/dbraw/zinc/23/69/46/918236946.db2.gz FZIRBDYWLHRPLB-NXEZZACHSA-N 2 2 281.360 -0.477 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]Cc1nccs1 ZINC001485981939 918271744 /nfs/dbraw/zinc/27/17/44/918271744.db2.gz HEIIXINLWONPGX-MNOVXSKESA-N 2 2 298.412 -0.196 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]Cc1nccs1 ZINC001485981939 918271757 /nfs/dbraw/zinc/27/17/57/918271757.db2.gz HEIIXINLWONPGX-MNOVXSKESA-N 2 2 298.412 -0.196 20 0 CBADLP CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001486011551 918303739 /nfs/dbraw/zinc/30/37/39/918303739.db2.gz VSRQEAAYTYAIMI-MNOVXSKESA-N 2 2 266.345 -0.468 20 0 CBADLP COCC[NH2+][C@H](CO)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001486038125 918333770 /nfs/dbraw/zinc/33/37/70/918333770.db2.gz WVMCOHUMPXSFNY-QJPTWQEYSA-N 2 2 296.371 -0.763 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H](CO)[NH2+]CC[C@@H]1CCOC1 ZINC001486049176 918345765 /nfs/dbraw/zinc/34/57/65/918345765.db2.gz YNKOBSWAQUNKDI-NEPJUHHUSA-N 2 2 296.371 -0.555 20 0 CBADLP Cc1nc(C[NH2+][C@H](CO)CNC(=O)C[N@@H+](C)C(C)C)co1 ZINC001486065808 918352982 /nfs/dbraw/zinc/35/29/82/918352982.db2.gz KPKQPZFRSKRBIP-LBPRGKRZSA-N 2 2 298.387 -0.110 20 0 CBADLP Cc1nc(C[NH2+][C@H](CO)CNC(=O)C[N@H+](C)C(C)C)co1 ZINC001486065808 918352999 /nfs/dbraw/zinc/35/29/99/918352999.db2.gz KPKQPZFRSKRBIP-LBPRGKRZSA-N 2 2 298.387 -0.110 20 0 CBADLP C[C@@H]1[C@H]([NH2+]CCCO)CCN1C(=O)Cn1cc[nH+]c1 ZINC001486095525 918365548 /nfs/dbraw/zinc/36/55/48/918365548.db2.gz KATNIBCIOOATDC-VXGBXAGGSA-N 2 2 266.345 -0.156 20 0 CBADLP CN(C[C@@H](O)C[NH2+]CCF)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001486284250 918412034 /nfs/dbraw/zinc/41/20/34/918412034.db2.gz HTELPEVYTFHOAP-AAEUAGOBSA-N 2 2 298.362 -0.176 20 0 CBADLP CCC[N@H+](C)CC(=O)N(C)C[C@@H]1CC[NH+]1CC(=O)NCC ZINC001488684648 918754356 /nfs/dbraw/zinc/75/43/56/918754356.db2.gz CMQHBCOHHKWFMS-ZDUSSCGKSA-N 2 2 298.431 -0.003 20 0 CBADLP CCC[N@@H+](C)CC(=O)N(C)C[C@@H]1CC[NH+]1CC(=O)NCC ZINC001488684648 918754370 /nfs/dbraw/zinc/75/43/70/918754370.db2.gz CMQHBCOHHKWFMS-ZDUSSCGKSA-N 2 2 298.431 -0.003 20 0 CBADLP CCC[NH+](C)CC(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)NCC ZINC001488684648 918754382 /nfs/dbraw/zinc/75/43/82/918754382.db2.gz CMQHBCOHHKWFMS-ZDUSSCGKSA-N 2 2 298.431 -0.003 20 0 CBADLP CCC[NH+](C)CC(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)NCC ZINC001488684648 918754392 /nfs/dbraw/zinc/75/43/92/918754392.db2.gz CMQHBCOHHKWFMS-ZDUSSCGKSA-N 2 2 298.431 -0.003 20 0 CBADLP CNC(=O)[C@H](C)[N@H+](C)CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001490255547 918875195 /nfs/dbraw/zinc/87/51/95/918875195.db2.gz OQRKYKZIOYTHRX-JTQLQIEISA-N 2 2 281.360 -0.475 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+](C)CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001490255547 918875205 /nfs/dbraw/zinc/87/52/05/918875205.db2.gz OQRKYKZIOYTHRX-JTQLQIEISA-N 2 2 281.360 -0.475 20 0 CBADLP CCn1nncc1C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001490559240 918934812 /nfs/dbraw/zinc/93/48/12/918934812.db2.gz VLHBHOSPGDUAOC-LBPRGKRZSA-N 2 2 294.403 -0.060 20 0 CBADLP CCn1nncc1C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001490559240 918934825 /nfs/dbraw/zinc/93/48/25/918934825.db2.gz VLHBHOSPGDUAOC-LBPRGKRZSA-N 2 2 294.403 -0.060 20 0 CBADLP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001490549067 918935172 /nfs/dbraw/zinc/93/51/72/918935172.db2.gz WXSXPSRVQJTAFK-NEPJUHHUSA-N 2 2 282.388 -0.463 20 0 CBADLP C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001490549067 918935184 /nfs/dbraw/zinc/93/51/84/918935184.db2.gz WXSXPSRVQJTAFK-NEPJUHHUSA-N 2 2 282.388 -0.463 20 0 CBADLP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001490549067 918935197 /nfs/dbraw/zinc/93/51/97/918935197.db2.gz WXSXPSRVQJTAFK-NEPJUHHUSA-N 2 2 282.388 -0.463 20 0 CBADLP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001490549067 918935212 /nfs/dbraw/zinc/93/52/12/918935212.db2.gz WXSXPSRVQJTAFK-NEPJUHHUSA-N 2 2 282.388 -0.463 20 0 CBADLP C[NH+](C)C1(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)CCC1 ZINC001490545905 918937375 /nfs/dbraw/zinc/93/73/75/918937375.db2.gz LAWQGPIAOJMQQX-SNVBAGLBSA-N 2 2 268.361 -0.854 20 0 CBADLP C[NH+](C)C1(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)CCC1 ZINC001490545905 918937384 /nfs/dbraw/zinc/93/73/84/918937384.db2.gz LAWQGPIAOJMQQX-SNVBAGLBSA-N 2 2 268.361 -0.854 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001491024021 919007588 /nfs/dbraw/zinc/00/75/88/919007588.db2.gz FLDQWLABBDJRTD-ZMLRMANQSA-N 2 2 293.371 -0.286 20 0 CBADLP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001491024021 919007602 /nfs/dbraw/zinc/00/76/02/919007602.db2.gz FLDQWLABBDJRTD-ZMLRMANQSA-N 2 2 293.371 -0.286 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCNC(=O)CC[NH+](C)C ZINC001491333056 919116320 /nfs/dbraw/zinc/11/63/20/919116320.db2.gz ZVXMAEJSRTZSCA-LLVKDONJSA-N 2 2 295.387 -0.228 20 0 CBADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCNC(=O)CC[NH+](C)C ZINC001491333056 919116329 /nfs/dbraw/zinc/11/63/29/919116329.db2.gz ZVXMAEJSRTZSCA-LLVKDONJSA-N 2 2 295.387 -0.228 20 0 CBADLP C[N@@H+]1CC[C@H](CC(=O)NCCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001491472953 919174667 /nfs/dbraw/zinc/17/46/67/919174667.db2.gz SVERQHJXAJZVRZ-LLVKDONJSA-N 2 2 293.371 -0.474 20 0 CBADLP C[N@H+]1CC[C@H](CC(=O)NCCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001491472953 919174674 /nfs/dbraw/zinc/17/46/74/919174674.db2.gz SVERQHJXAJZVRZ-LLVKDONJSA-N 2 2 293.371 -0.474 20 0 CBADLP C[N@@H+]1CCCC[C@H]1C(=O)NCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001491515062 919188292 /nfs/dbraw/zinc/18/82/92/919188292.db2.gz RWWHMODQSCGZHZ-LBPRGKRZSA-N 2 2 293.371 -0.331 20 0 CBADLP C[N@H+]1CCCC[C@H]1C(=O)NCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001491515062 919188294 /nfs/dbraw/zinc/18/82/94/919188294.db2.gz RWWHMODQSCGZHZ-LBPRGKRZSA-N 2 2 293.371 -0.331 20 0 CBADLP CC[C@@H]([NH2+][C@H](C)CNC(=O)CCc1c[nH+]cn1C)C(N)=O ZINC001491656725 919246863 /nfs/dbraw/zinc/24/68/63/919246863.db2.gz KBPIELAPUNYGQY-ZYHUDNBSSA-N 2 2 295.387 -0.289 20 0 CBADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+][C@H](C)C(=O)N(C)C ZINC001491695135 919255948 /nfs/dbraw/zinc/25/59/48/919255948.db2.gz ZHGCWHPWHHETBU-GHMZBOCLSA-N 2 2 281.360 -0.546 20 0 CBADLP C[C@@H](O)C[NH2+]C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001491844526 919287456 /nfs/dbraw/zinc/28/74/56/919287456.db2.gz SJELPZOCLQPNMV-GHMZBOCLSA-N 2 2 266.345 -0.229 20 0 CBADLP C[C@H](CCNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@@H](C)C(N)=O ZINC001492090178 919323597 /nfs/dbraw/zinc/32/35/97/919323597.db2.gz LSXZEGNGWYQEIV-BDAKNGLRSA-N 2 2 267.333 -0.690 20 0 CBADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)[C@H]1CCNC1=O ZINC001492251830 919379966 /nfs/dbraw/zinc/37/99/66/919379966.db2.gz YCMBCZAVKPGXBE-QWHCGFSZSA-N 2 2 296.415 -0.204 20 0 CBADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)[C@H]1CCNC1=O ZINC001492251830 919379984 /nfs/dbraw/zinc/37/99/84/919379984.db2.gz YCMBCZAVKPGXBE-QWHCGFSZSA-N 2 2 296.415 -0.204 20 0 CBADLP CC(C)[NH+]1CCC[C@@H]1C(=O)NCC[N@H+](C)[C@H]1CCNC1=O ZINC001492251830 919379997 /nfs/dbraw/zinc/37/99/97/919379997.db2.gz YCMBCZAVKPGXBE-QWHCGFSZSA-N 2 2 296.415 -0.204 20 0 CBADLP CC(C)[NH+]1CCC[C@@H]1C(=O)NCC[N@@H+](C)[C@H]1CCNC1=O ZINC001492251830 919380011 /nfs/dbraw/zinc/38/00/11/919380011.db2.gz YCMBCZAVKPGXBE-QWHCGFSZSA-N 2 2 296.415 -0.204 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CCNC(=O)CC[NH+](C)C ZINC001492401922 919407831 /nfs/dbraw/zinc/40/78/31/919407831.db2.gz GXVVEPWLYQJCFO-UHFFFAOYSA-N 2 2 272.393 -0.489 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CCNC(=O)CC[NH+](C)C ZINC001492401922 919407822 /nfs/dbraw/zinc/40/78/22/919407822.db2.gz GXVVEPWLYQJCFO-UHFFFAOYSA-N 2 2 272.393 -0.489 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+](C)CCNC(=O)CCc1c[nH+]cn1C ZINC001492835690 919434154 /nfs/dbraw/zinc/43/41/54/919434154.db2.gz PQERYUBWVIONEE-LBPRGKRZSA-N 2 2 295.387 -0.335 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)CCc1c[nH+]cn1C ZINC001492835690 919434160 /nfs/dbraw/zinc/43/41/60/919434160.db2.gz PQERYUBWVIONEE-LBPRGKRZSA-N 2 2 295.387 -0.335 20 0 CBADLP CNC(=O)[C@H](C)[N@H+](C)CCNC(=O)Cn1cc[nH+]c1C ZINC001492857982 919441463 /nfs/dbraw/zinc/44/14/63/919441463.db2.gz UBHIICYYKXVUFH-JTQLQIEISA-N 2 2 281.360 -0.626 20 0 CBADLP CNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)Cn1cc[nH+]c1C ZINC001492857982 919441474 /nfs/dbraw/zinc/44/14/74/919441474.db2.gz UBHIICYYKXVUFH-JTQLQIEISA-N 2 2 281.360 -0.626 20 0 CBADLP CC[N@H+](CCNC(=O)Cn1cc[nH+]c1C)[C@@H]1CCNC1=O ZINC001493059089 919475323 /nfs/dbraw/zinc/47/53/23/919475323.db2.gz VXPKKTIMDYBSGF-GFCCVEGCSA-N 2 2 293.371 -0.482 20 0 CBADLP CC[N@@H+](CCNC(=O)Cn1cc[nH+]c1C)[C@@H]1CCNC1=O ZINC001493059089 919475336 /nfs/dbraw/zinc/47/53/36/919475336.db2.gz VXPKKTIMDYBSGF-GFCCVEGCSA-N 2 2 293.371 -0.482 20 0 CBADLP CNC(=O)C[N@H+](CCNC(=O)C[NH+](C)C(C)C)C1CC1 ZINC001493449200 919547998 /nfs/dbraw/zinc/54/79/98/919547998.db2.gz JGKJYRCRFLMFBM-UHFFFAOYSA-N 2 2 284.404 -0.347 20 0 CBADLP CNC(=O)C[N@@H+](CCNC(=O)C[NH+](C)C(C)C)C1CC1 ZINC001493449200 919548011 /nfs/dbraw/zinc/54/80/11/919548011.db2.gz JGKJYRCRFLMFBM-UHFFFAOYSA-N 2 2 284.404 -0.347 20 0 CBADLP CNC(=O)C[NH+](CCNC(=O)C[N@H+](C)C(C)C)C1CC1 ZINC001493449200 919548019 /nfs/dbraw/zinc/54/80/19/919548019.db2.gz JGKJYRCRFLMFBM-UHFFFAOYSA-N 2 2 284.404 -0.347 20 0 CBADLP CNC(=O)C[NH+](CCNC(=O)C[N@@H+](C)C(C)C)C1CC1 ZINC001493449200 919548033 /nfs/dbraw/zinc/54/80/33/919548033.db2.gz JGKJYRCRFLMFBM-UHFFFAOYSA-N 2 2 284.404 -0.347 20 0 CBADLP CN(CC[NH2+][C@H]1CCNC1=O)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001493585642 919586686 /nfs/dbraw/zinc/58/66/86/919586686.db2.gz YDOWGTUNEMTRPZ-MXWKQRLJSA-N 2 2 291.355 -0.550 20 0 CBADLP CN(CC[NH2+]CC(=O)N(C)C1CC1)C(=O)Cn1cc[nH+]c1 ZINC001493809249 919626013 /nfs/dbraw/zinc/62/60/13/919626013.db2.gz GGTUZRGAWWDLMT-UHFFFAOYSA-N 2 2 293.371 -0.448 20 0 CBADLP CCCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@@H]1CC[N@H+](CCO)C1 ZINC001493948606 919637524 /nfs/dbraw/zinc/63/75/24/919637524.db2.gz ODMNNHRUVTXGFS-ZIAGYGMSSA-N 2 2 299.415 -0.378 20 0 CBADLP CCCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@@H]1CC[N@@H+](CCO)C1 ZINC001493948606 919637535 /nfs/dbraw/zinc/63/75/35/919637535.db2.gz ODMNNHRUVTXGFS-ZIAGYGMSSA-N 2 2 299.415 -0.378 20 0 CBADLP CCCN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@@H]1CC[NH+](CCO)C1 ZINC001493948606 919637542 /nfs/dbraw/zinc/63/75/42/919637542.db2.gz ODMNNHRUVTXGFS-ZIAGYGMSSA-N 2 2 299.415 -0.378 20 0 CBADLP CCCN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@@H]1CC[NH+](CCO)C1 ZINC001493948606 919637551 /nfs/dbraw/zinc/63/75/51/919637551.db2.gz ODMNNHRUVTXGFS-ZIAGYGMSSA-N 2 2 299.415 -0.378 20 0 CBADLP NC(=O)C[N@@H+]1CC[C@H](CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001494067552 919651781 /nfs/dbraw/zinc/65/17/81/919651781.db2.gz PIADXTGLUPIARN-JTQLQIEISA-N 2 2 279.344 -0.734 20 0 CBADLP NC(=O)C[N@H+]1CC[C@H](CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001494067552 919651789 /nfs/dbraw/zinc/65/17/89/919651789.db2.gz PIADXTGLUPIARN-JTQLQIEISA-N 2 2 279.344 -0.734 20 0 CBADLP NC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001494067553 919654200 /nfs/dbraw/zinc/65/42/00/919654200.db2.gz PIADXTGLUPIARN-SNVBAGLBSA-N 2 2 279.344 -0.734 20 0 CBADLP NC(=O)C[N@H+]1CC[C@@H](CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001494067553 919654209 /nfs/dbraw/zinc/65/42/09/919654209.db2.gz PIADXTGLUPIARN-SNVBAGLBSA-N 2 2 279.344 -0.734 20 0 CBADLP CC[C@H](C(=O)N[C@H]1CCC[N@@H+]([C@@H]2CCNC2=O)C1)[NH+](C)C ZINC001494319380 919673990 /nfs/dbraw/zinc/67/39/90/919673990.db2.gz IJZGPCOITTZHIN-YNEHKIRRSA-N 2 2 296.415 -0.204 20 0 CBADLP CC[C@H](C(=O)N[C@H]1CCC[N@H+]([C@@H]2CCNC2=O)C1)[NH+](C)C ZINC001494319380 919673997 /nfs/dbraw/zinc/67/39/97/919673997.db2.gz IJZGPCOITTZHIN-YNEHKIRRSA-N 2 2 296.415 -0.204 20 0 CBADLP COCCOCC[NH+]1CC(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001494498181 919714893 /nfs/dbraw/zinc/71/48/93/919714893.db2.gz FBAWBLMWSCSDPM-LBPRGKRZSA-N 2 2 285.388 -0.599 20 0 CBADLP COCCOCC[NH+]1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001494498181 919714906 /nfs/dbraw/zinc/71/49/06/919714906.db2.gz FBAWBLMWSCSDPM-LBPRGKRZSA-N 2 2 285.388 -0.599 20 0 CBADLP O=C(Cc1cn2c([nH+]1)CCCC2)NCC1C[NH+](CCO)C1 ZINC001494556699 919735469 /nfs/dbraw/zinc/73/54/69/919735469.db2.gz SCEQVUWFWACRHW-UHFFFAOYSA-N 2 2 292.383 -0.198 20 0 CBADLP C[C@@H](O)C[NH+]1CC(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001494575375 919741065 /nfs/dbraw/zinc/74/10/65/919741065.db2.gz CNFZCGUJIRDYSV-LLVKDONJSA-N 2 2 266.345 -0.298 20 0 CBADLP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)C ZINC001494667887 919768638 /nfs/dbraw/zinc/76/86/38/919768638.db2.gz JFUQHGQWAQEZSQ-WOPDTQHZSA-N 2 2 282.388 -0.642 20 0 CBADLP CNC(=O)[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)C ZINC001494667887 919768652 /nfs/dbraw/zinc/76/86/52/919768652.db2.gz JFUQHGQWAQEZSQ-WOPDTQHZSA-N 2 2 282.388 -0.642 20 0 CBADLP CN(C(=O)CCc1c[nH+]cn1C)[C@@H]1CC[N@H+](CCO)C1 ZINC001494862474 919805918 /nfs/dbraw/zinc/80/59/18/919805918.db2.gz GWPFTRQDUXAALQ-CYBMUJFWSA-N 2 2 280.372 -0.122 20 0 CBADLP CN(C(=O)CCc1c[nH+]cn1C)[C@@H]1CC[N@@H+](CCO)C1 ZINC001494862474 919805941 /nfs/dbraw/zinc/80/59/41/919805941.db2.gz GWPFTRQDUXAALQ-CYBMUJFWSA-N 2 2 280.372 -0.122 20 0 CBADLP CCNC(=O)C[NH2+][C@H](CC)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001495081257 919858254 /nfs/dbraw/zinc/85/82/54/919858254.db2.gz ZRQAXSBFCBITQK-SNVBAGLBSA-N 2 2 281.360 -0.427 20 0 CBADLP C[C@@H](O)C[NH2+]CC1(NC(=O)[C@@H]2C[N@H+](C)CCO2)CCCC1 ZINC001495140939 919871635 /nfs/dbraw/zinc/87/16/35/919871635.db2.gz VJLYGCPGBAOTBC-OLZOCXBDSA-N 2 2 299.415 -0.284 20 0 CBADLP C[C@@H](O)C[NH2+]CC1(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CCCC1 ZINC001495140939 919871651 /nfs/dbraw/zinc/87/16/51/919871651.db2.gz VJLYGCPGBAOTBC-OLZOCXBDSA-N 2 2 299.415 -0.284 20 0 CBADLP C[C@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)C[NH2+]CCO ZINC001495693994 919928315 /nfs/dbraw/zinc/92/83/15/919928315.db2.gz GGVLHUIIGDNLLH-RYUDHWBXSA-N 2 2 280.372 -0.220 20 0 CBADLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)C[NH2+][C@@H](C)C(N)=O ZINC001495786279 919941109 /nfs/dbraw/zinc/94/11/09/919941109.db2.gz PEZZOEZTSRFNLN-ZJUUUORDSA-N 2 2 281.360 -0.822 20 0 CBADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)C[NH2+][C@H]1CCCNC1=O ZINC001495772986 919943412 /nfs/dbraw/zinc/94/34/12/919943412.db2.gz XHYZWGFSDIMBFK-MNOVXSKESA-N 2 2 293.371 -0.427 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)C[NH2+][C@H](C)C(N)=O ZINC001495798528 919945145 /nfs/dbraw/zinc/94/51/45/919945145.db2.gz XWUHTAHDVSWSGI-WCBMZHEXSA-N 2 2 281.360 -0.524 20 0 CBADLP CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001495796808 919946880 /nfs/dbraw/zinc/94/68/80/919946880.db2.gz NDHBJZMCTUMDNO-SNVBAGLBSA-N 2 2 295.387 -0.261 20 0 CBADLP C[C@@H](C[NH2+]CCO)N(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001496091460 920027833 /nfs/dbraw/zinc/02/78/33/920027833.db2.gz CCDKKHJGZMCSBT-NWDGAFQWSA-N 2 2 280.372 -0.126 20 0 CBADLP CC[C@H]([NH2+]C[C@H](C)N(C)C(=O)Cn1cc[nH+]c1)C(N)=O ZINC001496241701 920051971 /nfs/dbraw/zinc/05/19/71/920051971.db2.gz CDRQLXRNANITOU-QWRGUYRKSA-N 2 2 281.360 -0.417 20 0 CBADLP CNC(=O)C[NH2+]C[C@@H](CC(C)C)NC(=O)Cn1cc[nH+]c1 ZINC001496302486 920056068 /nfs/dbraw/zinc/05/60/68/920056068.db2.gz ZVPXYAQNQFZYBA-GFCCVEGCSA-N 2 2 295.387 -0.250 20 0 CBADLP CNC(=O)C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC001496375201 920062986 /nfs/dbraw/zinc/06/29/86/920062986.db2.gz KZKMSEUOSMTJLL-RYUDHWBXSA-N 2 2 293.371 -0.544 20 0 CBADLP C[C@H]1CC[N@H+](CC(=O)N(C)CC[NH+](C)CC(=O)N(C)C)C1 ZINC001496780229 920130716 /nfs/dbraw/zinc/13/07/16/920130716.db2.gz DVPQXKJLUSHCFS-ZDUSSCGKSA-N 2 2 298.431 -0.193 20 0 CBADLP C[C@H]1CC[N@@H+](CC(=O)N(C)CC[NH+](C)CC(=O)N(C)C)C1 ZINC001496780229 920130725 /nfs/dbraw/zinc/13/07/25/920130725.db2.gz DVPQXKJLUSHCFS-ZDUSSCGKSA-N 2 2 298.431 -0.193 20 0 CBADLP C[C@H]1CC[NH+](CC(=O)N(C)CC[N@H+](C)CC(=O)N(C)C)C1 ZINC001496780229 920130736 /nfs/dbraw/zinc/13/07/36/920130736.db2.gz DVPQXKJLUSHCFS-ZDUSSCGKSA-N 2 2 298.431 -0.193 20 0 CBADLP C[C@H]1CC[NH+](CC(=O)N(C)CC[N@@H+](C)CC(=O)N(C)C)C1 ZINC001496780229 920130747 /nfs/dbraw/zinc/13/07/47/920130747.db2.gz DVPQXKJLUSHCFS-ZDUSSCGKSA-N 2 2 298.431 -0.193 20 0 CBADLP C[NH+](C)C1(C(=O)NC[C@H](O)C[NH2+]Cc2cnon2)CCC1 ZINC001496996253 920196453 /nfs/dbraw/zinc/19/64/53/920196453.db2.gz NNZADWQWGKHZHO-LLVKDONJSA-N 2 2 297.359 -0.879 20 0 CBADLP Cc1cc(C)c(C(=O)NC[C@@H](O)C[NH2+]CCO)c(C)[nH+]1 ZINC001497021544 920211285 /nfs/dbraw/zinc/21/12/85/920211285.db2.gz BWNRPJMHWPURGH-LBPRGKRZSA-N 2 2 281.356 -0.321 20 0 CBADLP CC(C)=CC[NH2+]C[C@@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001497064151 920235911 /nfs/dbraw/zinc/23/59/11/920235911.db2.gz QWAZILIDARVHDB-GFCCVEGCSA-N 2 2 266.345 -0.015 20 0 CBADLP CNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001497207444 920269488 /nfs/dbraw/zinc/26/94/88/920269488.db2.gz IDWSRXIVYJWTPY-GMTAPVOTSA-N 2 2 293.371 -0.256 20 0 CBADLP CNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001497207444 920269507 /nfs/dbraw/zinc/26/95/07/920269507.db2.gz IDWSRXIVYJWTPY-GMTAPVOTSA-N 2 2 293.371 -0.256 20 0 CBADLP C[C@H](CC[NH2+]C[C@H](C)O)NC(=O)Cc1[nH]cc[nH+]1 ZINC001497300278 920282401 /nfs/dbraw/zinc/28/24/01/920282401.db2.gz XNKVVQUAHPMASJ-ZJUUUORDSA-N 2 2 254.334 -0.183 20 0 CBADLP C[C@H](CC[NH2+][C@@H](C)C(N)=O)NC(=O)Cn1cc[nH+]c1 ZINC001497336877 920283866 /nfs/dbraw/zinc/28/38/66/920283866.db2.gz KZZBSTMWPLZJRK-ZJUUUORDSA-N 2 2 267.333 -0.759 20 0 CBADLP CCN(CC[NH2+]CCO)C(=O)Cc1[nH]c[nH+]c1C ZINC001497489855 920309569 /nfs/dbraw/zinc/30/95/69/920309569.db2.gz BWLZSVRGQDULJN-UHFFFAOYSA-N 2 2 254.334 -0.309 20 0 CBADLP CCN(CC[NH2+][C@@H](C)C(=O)NC)C(=O)Cc1[nH]cc[nH+]1 ZINC001497472466 920310842 /nfs/dbraw/zinc/31/08/42/920310842.db2.gz HKARVEQBNLMQHP-JTQLQIEISA-N 2 2 281.360 -0.475 20 0 CBADLP CCNC(=O)C[NH2+]CCN(CC)C(=O)Cc1c[nH+]cn1C ZINC001497485795 920313190 /nfs/dbraw/zinc/31/31/90/920313190.db2.gz GLNKDWDXCLXUTI-UHFFFAOYSA-N 2 2 295.387 -0.463 20 0 CBADLP Cn1cnnc1C[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001497649708 920356485 /nfs/dbraw/zinc/35/64/85/920356485.db2.gz LGXNIKCAIWQPLM-AAOUONPWSA-N 2 2 292.387 -0.329 20 0 CBADLP Cn1cnnc1C[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@H+]1C ZINC001497649708 920356501 /nfs/dbraw/zinc/35/65/01/920356501.db2.gz LGXNIKCAIWQPLM-AAOUONPWSA-N 2 2 292.387 -0.329 20 0 CBADLP C[C@H](C[NH2+]CCN1CCNC1=O)NC(=O)Cn1cc[nH+]c1 ZINC001497997202 920436886 /nfs/dbraw/zinc/43/68/86/920436886.db2.gz LFVVPBLEUADPQJ-LLVKDONJSA-N 2 2 294.359 -0.997 20 0 CBADLP Cc1ncoc1C[NH2+]C[C@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001498025505 920450556 /nfs/dbraw/zinc/45/05/56/920450556.db2.gz JGYQZKBRDVZCCG-GXFFZTMASA-N 2 2 296.371 -0.092 20 0 CBADLP Cc1ncoc1C[NH2+]C[C@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001498025505 920450566 /nfs/dbraw/zinc/45/05/66/920450566.db2.gz JGYQZKBRDVZCCG-GXFFZTMASA-N 2 2 296.371 -0.092 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001498052039 920463123 /nfs/dbraw/zinc/46/31/23/920463123.db2.gz FSFMGGOGLPXYBJ-VHSXEESVSA-N 2 2 281.360 -0.429 20 0 CBADLP CNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001498052039 920463136 /nfs/dbraw/zinc/46/31/36/920463136.db2.gz FSFMGGOGLPXYBJ-VHSXEESVSA-N 2 2 281.360 -0.429 20 0 CBADLP C[C@@H](C[N@H+](C)CCO)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001498323285 920550782 /nfs/dbraw/zinc/55/07/82/920550782.db2.gz MPNDRVHSBMUGJK-NWDGAFQWSA-N 2 2 280.372 -0.126 20 0 CBADLP C[C@@H](C[N@@H+](C)CCO)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001498323285 920550799 /nfs/dbraw/zinc/55/07/99/920550799.db2.gz MPNDRVHSBMUGJK-NWDGAFQWSA-N 2 2 280.372 -0.126 20 0 CBADLP C[C@H](C[N@H+](C)CCO)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001498323284 920550876 /nfs/dbraw/zinc/55/08/76/920550876.db2.gz MPNDRVHSBMUGJK-NEPJUHHUSA-N 2 2 280.372 -0.126 20 0 CBADLP C[C@H](C[N@@H+](C)CCO)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001498323284 920550890 /nfs/dbraw/zinc/55/08/90/920550890.db2.gz MPNDRVHSBMUGJK-NEPJUHHUSA-N 2 2 280.372 -0.126 20 0 CBADLP C[C@@H](C[N@H+](C)CCCO)NC(=O)Cc1c[nH]c[nH+]1 ZINC001498392369 920573446 /nfs/dbraw/zinc/57/34/46/920573446.db2.gz CFHIRHXSZUDHJC-JTQLQIEISA-N 2 2 254.334 -0.229 20 0 CBADLP C[C@@H](C[N@@H+](C)CCCO)NC(=O)Cc1c[nH]c[nH+]1 ZINC001498392369 920573455 /nfs/dbraw/zinc/57/34/55/920573455.db2.gz CFHIRHXSZUDHJC-JTQLQIEISA-N 2 2 254.334 -0.229 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@H](C)C[N@H+](C)[C@@H](C)C(N)=O ZINC001498460373 920591153 /nfs/dbraw/zinc/59/11/53/920591153.db2.gz ZJSQRGKVGRDCQH-ZJUUUORDSA-N 2 2 281.360 -0.498 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@H](C)C[N@@H+](C)[C@@H](C)C(N)=O ZINC001498460373 920591167 /nfs/dbraw/zinc/59/11/67/920591167.db2.gz ZJSQRGKVGRDCQH-ZJUUUORDSA-N 2 2 281.360 -0.498 20 0 CBADLP CN(CCC[NH2+]CCO)C(=O)CCc1[nH+]ccn1C ZINC001498582933 920612364 /nfs/dbraw/zinc/61/23/64/920612364.db2.gz KTQFOMTVBIGSHH-UHFFFAOYSA-N 2 2 268.361 -0.217 20 0 CBADLP CC[C@H]([NH2+]C[C@H](NC(=O)Cc1[nH]cc[nH+]1)C1CC1)C(N)=O ZINC001498845322 920646927 /nfs/dbraw/zinc/64/69/27/920646927.db2.gz JAQBZGWARZSDSI-QWRGUYRKSA-N 2 2 293.371 -0.300 20 0 CBADLP CCOCCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001498950745 920667673 /nfs/dbraw/zinc/66/76/73/920667673.db2.gz AHRWKEBVEDAUIG-ZIAGYGMSSA-N 2 2 299.415 -0.066 20 0 CBADLP CCOCCC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001498950745 920667680 /nfs/dbraw/zinc/66/76/80/920667680.db2.gz AHRWKEBVEDAUIG-ZIAGYGMSSA-N 2 2 299.415 -0.066 20 0 CBADLP CCOCCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001498950745 920667692 /nfs/dbraw/zinc/66/76/92/920667692.db2.gz AHRWKEBVEDAUIG-ZIAGYGMSSA-N 2 2 299.415 -0.066 20 0 CBADLP CCOCCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001498950745 920667698 /nfs/dbraw/zinc/66/76/98/920667698.db2.gz AHRWKEBVEDAUIG-ZIAGYGMSSA-N 2 2 299.415 -0.066 20 0 CBADLP CCC[N@H+](C)CC(=O)NC[C@@H]1CC[NH+]1[C@H](C)C(=O)N(C)C ZINC001499107037 920701085 /nfs/dbraw/zinc/70/10/85/920701085.db2.gz OOEZQIRUYZQEMH-OLZOCXBDSA-N 2 2 298.431 -0.005 20 0 CBADLP CCC[N@@H+](C)CC(=O)NC[C@@H]1CC[NH+]1[C@H](C)C(=O)N(C)C ZINC001499107037 920701099 /nfs/dbraw/zinc/70/10/99/920701099.db2.gz OOEZQIRUYZQEMH-OLZOCXBDSA-N 2 2 298.431 -0.005 20 0 CBADLP CCC[NH+](C)CC(=O)NC[C@@H]1CC[N@@H+]1[C@H](C)C(=O)N(C)C ZINC001499107037 920701110 /nfs/dbraw/zinc/70/11/10/920701110.db2.gz OOEZQIRUYZQEMH-OLZOCXBDSA-N 2 2 298.431 -0.005 20 0 CBADLP CCC[NH+](C)CC(=O)NC[C@@H]1CC[N@H+]1[C@H](C)C(=O)N(C)C ZINC001499107037 920701119 /nfs/dbraw/zinc/70/11/19/920701119.db2.gz OOEZQIRUYZQEMH-OLZOCXBDSA-N 2 2 298.431 -0.005 20 0 CBADLP O=C(CCn1cc[nH+]c1)NCC1([NH2+]CCCO)CC1 ZINC001499305428 920734346 /nfs/dbraw/zinc/73/43/46/920734346.db2.gz GJBVKHHQXLAUFM-UHFFFAOYSA-N 2 2 266.345 -0.106 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)NCC1([NH2+]CC(=O)N2CCC2)CC1 ZINC001499361681 920738886 /nfs/dbraw/zinc/73/88/86/920738886.db2.gz FWBAIYNMUSLNBB-UHFFFAOYSA-N 2 2 291.355 -0.577 20 0 CBADLP CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001499957425 920789381 /nfs/dbraw/zinc/78/93/81/920789381.db2.gz CEQWIQOWVUWVRV-LBPRGKRZSA-N 2 2 293.371 -0.400 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]1C[NH2+]CC(N)=O ZINC001499944472 920790490 /nfs/dbraw/zinc/79/04/90/920790490.db2.gz BSXDZPRZUSJFSD-JTQLQIEISA-N 2 2 279.344 -0.673 20 0 CBADLP O=C(CCC[NH+]1CCCC1)NCC1(O)C[NH+](CCCO)C1 ZINC001500982263 920934914 /nfs/dbraw/zinc/93/49/14/920934914.db2.gz GGUCUZWBOXYORB-UHFFFAOYSA-N 2 2 299.415 -0.592 20 0 CBADLP C[C@H]([NH2+]CC(N)=O)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001501079452 920947715 /nfs/dbraw/zinc/94/77/15/920947715.db2.gz CSZOTBHYRJXEJH-VHSXEESVSA-N 2 2 279.344 -0.736 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@]1(CO)CCC[N@H+](CCO)C1 ZINC001501360493 920976733 /nfs/dbraw/zinc/97/67/33/920976733.db2.gz YHEUKZBOOCHPSI-CQSZACIVSA-N 2 2 296.371 -0.804 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@]1(CO)CCC[N@@H+](CCO)C1 ZINC001501360493 920976740 /nfs/dbraw/zinc/97/67/40/920976740.db2.gz YHEUKZBOOCHPSI-CQSZACIVSA-N 2 2 296.371 -0.804 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C[NH2+]CC(N)=O)C(C)(C)C ZINC001508027830 921905290 /nfs/dbraw/zinc/90/52/90/921905290.db2.gz MFQGHULURLVVHF-NSHDSACASA-N 2 2 295.387 -0.134 20 0 CBADLP C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC001515356255 922230573 /nfs/dbraw/zinc/23/05/73/922230573.db2.gz BEUOGUYVEMGIAA-BJDJZHNGSA-N 2 2 256.394 -0.280 20 0 CBADLP C[N@H+]1CC[C@H]1CNC(=O)C[NH+]1CCC(CO)CC1 ZINC001514603927 922209542 /nfs/dbraw/zinc/20/95/42/922209542.db2.gz JUYOJNJTNQVMJQ-LBPRGKRZSA-N 2 2 255.362 -0.489 20 0 CBADLP C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC001515356255 922230563 /nfs/dbraw/zinc/23/05/63/922230563.db2.gz BEUOGUYVEMGIAA-BJDJZHNGSA-N 2 2 256.394 -0.280 20 0 CBADLP CC1(C)CN(c2cc(N)[nH+]cn2)CC[N@@H+]1CCO ZINC001515677862 922241778 /nfs/dbraw/zinc/24/17/78/922241778.db2.gz BZCWIDBJCAABRR-UHFFFAOYSA-N 2 2 251.334 -0.048 20 0 CBADLP CC1(C)CN(c2cc(N)[nH+]cn2)CC[N@H+]1CCO ZINC001515677862 922241794 /nfs/dbraw/zinc/24/17/94/922241794.db2.gz BZCWIDBJCAABRR-UHFFFAOYSA-N 2 2 251.334 -0.048 20 0 CBADLP C[C@H]1C[N@H+](CCO)[C@@H](C)CN1c1cc(N)[nH+]cn1 ZINC001515832718 922245307 /nfs/dbraw/zinc/24/53/07/922245307.db2.gz SQGVJACCAPSCAP-UWVGGRQHSA-N 2 2 251.334 -0.050 20 0 CBADLP C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1c1cc(N)[nH+]cn1 ZINC001515832718 922245320 /nfs/dbraw/zinc/24/53/20/922245320.db2.gz SQGVJACCAPSCAP-UWVGGRQHSA-N 2 2 251.334 -0.050 20 0 CBADLP C/C(=C\C(=O)N1CC[NH+](C)CC1)C(=O)N1CC[NH+](C)CC1 ZINC001520696617 922319317 /nfs/dbraw/zinc/31/93/17/922319317.db2.gz RMTBRJGTIUGICR-OUKQBFOZSA-N 2 2 294.399 -0.519 20 0 CBADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[NH2+]C[C@@H]1CO ZINC001522418264 922410327 /nfs/dbraw/zinc/41/03/27/922410327.db2.gz OZOWPNYXFSFMFO-GMTAPVOTSA-N 2 2 264.329 -0.684 20 0 CBADLP Nc1ccc(C(=O)NCC[NH+]2CCC([NH3+])CC2)nc1 ZINC001522639866 922492715 /nfs/dbraw/zinc/49/27/15/922492715.db2.gz ONNQDVZFMDGPHH-UHFFFAOYSA-N 2 2 263.345 -0.183 20 0 CBADLP CN1CCC[C@@H](C(=O)NCC[NH+]2CCC([NH3+])CC2)C1=O ZINC001522640365 922494200 /nfs/dbraw/zinc/49/42/00/922494200.db2.gz RLWMWYBYSQBCAH-LBPRGKRZSA-N 2 2 282.388 -0.606 20 0 CBADLP Cc1cnn(CC(=O)NCC[NH+]2CCC([NH3+])CC2)c1 ZINC001522640285 922494299 /nfs/dbraw/zinc/49/42/99/922494299.db2.gz QZEAZIXDPPPJET-UHFFFAOYSA-N 2 2 265.361 -0.269 20 0 CBADLP CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001522639071 922494903 /nfs/dbraw/zinc/49/49/03/922494903.db2.gz JGDWCKRQHXHSSL-NEPJUHHUSA-N 3 2 268.405 -0.101 20 0 CBADLP O=C(Cn1cc[nH+]c1)NCCNC(=O)C[NH+]1CCCC1 ZINC001522657192 922497757 /nfs/dbraw/zinc/49/77/57/922497757.db2.gz GCCQUMFNVHOYAL-UHFFFAOYSA-N 2 2 279.344 -0.789 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)[C@H]2CCC[NH2+]CC2)CC1 ZINC001522641084 922497846 /nfs/dbraw/zinc/49/78/46/922497846.db2.gz WWLGLOLDBUEYRB-LBPRGKRZSA-N 3 2 268.405 -0.085 20 0 CBADLP C[C@H](C(=O)N1C[C@@H]([NH3+])C(C)(C)C1)N1CC[NH2+]CC1=O ZINC001522706652 922509564 /nfs/dbraw/zinc/50/95/64/922509564.db2.gz JRJHJUOXYUCTFQ-NXEZZACHSA-N 2 2 268.361 -0.998 20 0 CBADLP Cc1c[nH+]cn1CC(=O)NCCNC(=O)Cn1cc[nH+]c1 ZINC001522735916 922512212 /nfs/dbraw/zinc/51/22/12/922512212.db2.gz QSIBJRNSCYWJDV-UHFFFAOYSA-N 2 2 290.327 -0.679 20 0 CBADLP C[C@H]1CCC[N@@H+]1CC(=O)NCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001522800157 922522994 /nfs/dbraw/zinc/52/29/94/922522994.db2.gz SVUQLMQGLVMEQT-NSHDSACASA-N 2 2 293.371 -0.331 20 0 CBADLP C[C@H]1CCC[N@H+]1CC(=O)NCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001522800157 922523000 /nfs/dbraw/zinc/52/30/00/922523000.db2.gz SVUQLMQGLVMEQT-NSHDSACASA-N 2 2 293.371 -0.331 20 0 CBADLP C[C@@H](C(=O)N1CC[C@H](CC[NH3+])C1)N1CC[NH2+]CC1=O ZINC001523019739 922561766 /nfs/dbraw/zinc/56/17/66/922561766.db2.gz XYYYQXSTBIXDOT-QWRGUYRKSA-N 2 2 268.361 -0.996 20 0 CBADLP CC[N@@H+]1CC[C@H]1C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC001543383392 923288382 /nfs/dbraw/zinc/28/83/82/923288382.db2.gz KIDQNWHOWKKPDW-NEPJUHHUSA-N 2 2 254.378 -0.557 20 0 CBADLP CC[N@H+]1CC[C@H]1C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC001543383392 923288395 /nfs/dbraw/zinc/28/83/95/923288395.db2.gz KIDQNWHOWKKPDW-NEPJUHHUSA-N 2 2 254.378 -0.557 20 0 CBADLP CC[NH+]1CC[C@H]1C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001543383392 923288419 /nfs/dbraw/zinc/28/84/19/923288419.db2.gz KIDQNWHOWKKPDW-NEPJUHHUSA-N 2 2 254.378 -0.557 20 0 CBADLP Nc1cc(N2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)nc[nH+]1 ZINC001548517577 923361836 /nfs/dbraw/zinc/36/18/36/923361836.db2.gz AVHODLILGLMPIH-LLVKDONJSA-N 2 2 290.371 -0.151 20 0 CBADLP C[C@H](CO)[N@@H+]1CCCN(c2cc(N)[nH+]cn2)CC1 ZINC001548514604 923362235 /nfs/dbraw/zinc/36/22/35/923362235.db2.gz LTUVXHORUUJQMR-SNVBAGLBSA-N 2 2 251.334 -0.048 20 0 CBADLP C[C@H](CO)[N@H+]1CCCN(c2cc(N)[nH+]cn2)CC1 ZINC001548514604 923362246 /nfs/dbraw/zinc/36/22/46/923362246.db2.gz LTUVXHORUUJQMR-SNVBAGLBSA-N 2 2 251.334 -0.048 20 0 CBADLP CN1CC[NH2+]C[C@@H]1C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC001548550050 923376787 /nfs/dbraw/zinc/37/67/87/923376787.db2.gz XJJQNBHSHZPVCT-UONOGXRCSA-N 2 2 296.415 -0.787 20 0 CBADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C[C@H](O)C[NH3+])CC1 ZINC001548555605 923379976 /nfs/dbraw/zinc/37/99/76/923379976.db2.gz TYWDFFZCRBJFFB-JSGCOSHPSA-N 2 2 292.383 -0.004 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC001548558305 923381900 /nfs/dbraw/zinc/38/19/00/923381900.db2.gz WWYMANCHUBDWME-AWEZNQCLSA-N 2 2 285.388 -0.718 20 0 CBADLP CN1CC[NH2+]C[C@@H]1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC001548560387 923382755 /nfs/dbraw/zinc/38/27/55/923382755.db2.gz WYOAAFCCUBQWAP-QWHCGFSZSA-N 2 2 289.383 -0.320 20 0 CBADLP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC001548567770 923388760 /nfs/dbraw/zinc/38/87/60/923388760.db2.gz AOOALZFQNNXZEY-AGIUHOORSA-N 2 2 285.388 -0.864 20 0 CBADLP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001548567773 923392040 /nfs/dbraw/zinc/39/20/40/923392040.db2.gz AOOALZFQNNXZEY-UPJWGTAASA-N 2 2 285.388 -0.864 20 0 CBADLP O=C(N1CC[NH+]([C@H]2CCOC2)CC1)[C@]12C[NH2+]C[C@H]1CCO2 ZINC001548570376 923392787 /nfs/dbraw/zinc/39/27/87/923392787.db2.gz XLJOGTLKIAOVMJ-IPYPFGDCSA-N 2 2 295.383 -0.702 20 0 CBADLP C[C@@H]1[C@H](C)N(C(=O)[C@@H]2C[N@H+]3CCN2C[C@@H]3C)CC[NH+]1C ZINC001548680112 923440757 /nfs/dbraw/zinc/44/07/57/923440757.db2.gz NFHSKVVAQIPSIA-CRWXNKLISA-N 2 2 280.416 -0.074 20 0 CBADLP C[C@@H]1[C@H](C)N(C(=O)[C@@H]2C[N@@H+]3CCN2C[C@@H]3C)CC[NH+]1C ZINC001548680112 923440766 /nfs/dbraw/zinc/44/07/66/923440766.db2.gz NFHSKVVAQIPSIA-CRWXNKLISA-N 2 2 280.416 -0.074 20 0 CBADLP C[C@@H]1[C@H](C)N(C(=O)[C@@H]2C[NH+]3CCN2C[C@@H]3C)CC[N@@H+]1C ZINC001548680112 923440774 /nfs/dbraw/zinc/44/07/74/923440774.db2.gz NFHSKVVAQIPSIA-CRWXNKLISA-N 2 2 280.416 -0.074 20 0 CBADLP C[C@@H]1[C@H](C)N(C(=O)[C@@H]2C[NH+]3CCN2C[C@@H]3C)CC[N@H+]1C ZINC001548680112 923440784 /nfs/dbraw/zinc/44/07/84/923440784.db2.gz NFHSKVVAQIPSIA-CRWXNKLISA-N 2 2 280.416 -0.074 20 0 CBADLP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCCc1c[nH+]cn1C ZINC001548683254 923449148 /nfs/dbraw/zinc/44/91/48/923449148.db2.gz UWVJWUBDXHHSBU-AAEUAGOBSA-N 2 2 277.372 -0.533 20 0 CBADLP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCCc1c[nH+]cn1C ZINC001548683254 923449195 /nfs/dbraw/zinc/44/91/95/923449195.db2.gz UWVJWUBDXHHSBU-AAEUAGOBSA-N 2 2 277.372 -0.533 20 0 CBADLP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CC[NH+](CCCF)CC1 ZINC001548723915 923473208 /nfs/dbraw/zinc/47/32/08/923473208.db2.gz BHGFTLWDDNTWQS-ZIAGYGMSSA-N 2 2 298.406 -0.122 20 0 CBADLP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CC[NH+](CCCF)CC1 ZINC001548723915 923473223 /nfs/dbraw/zinc/47/32/23/923473223.db2.gz BHGFTLWDDNTWQS-ZIAGYGMSSA-N 2 2 298.406 -0.122 20 0 CBADLP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCCc1cn(C)c[nH+]1 ZINC001548719388 923476709 /nfs/dbraw/zinc/47/67/09/923476709.db2.gz QUVDLLAVIFUPGG-DGCLKSJQSA-N 2 2 277.372 -0.533 20 0 CBADLP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCCc1cn(C)c[nH+]1 ZINC001548719388 923476720 /nfs/dbraw/zinc/47/67/20/923476720.db2.gz QUVDLLAVIFUPGG-DGCLKSJQSA-N 2 2 277.372 -0.533 20 0 CBADLP [NH3+]C[C@@]12CCC[C@H]1CN(C(=O)CN1CC[NH2+]CC1=O)C2 ZINC001549130549 923559597 /nfs/dbraw/zinc/55/95/97/923559597.db2.gz MJEGIPHCARWQQN-SMDDNHRTSA-N 2 2 280.372 -0.994 20 0 CBADLP Cn1cc(O[C@@H]2C[N@H+](CCn3cc[nH+]c3)C[C@@H]2O)cn1 ZINC001549597294 923608119 /nfs/dbraw/zinc/60/81/19/923608119.db2.gz MQGLXSNSALSHGT-QWHCGFSZSA-N 2 2 277.328 -0.259 20 0 CBADLP Cn1cc(O[C@@H]2C[N@@H+](CCn3cc[nH+]c3)C[C@@H]2O)cn1 ZINC001549597294 923608126 /nfs/dbraw/zinc/60/81/26/923608126.db2.gz MQGLXSNSALSHGT-QWHCGFSZSA-N 2 2 277.328 -0.259 20 0 CBADLP Cn1cc(O[C@H]2C[N@H+](CCn3cc[nH+]c3)C[C@H]2O)cn1 ZINC001549597292 923608653 /nfs/dbraw/zinc/60/86/53/923608653.db2.gz MQGLXSNSALSHGT-OLZOCXBDSA-N 2 2 277.328 -0.259 20 0 CBADLP Cn1cc(O[C@H]2C[N@@H+](CCn3cc[nH+]c3)C[C@H]2O)cn1 ZINC001549597292 923608673 /nfs/dbraw/zinc/60/86/73/923608673.db2.gz MQGLXSNSALSHGT-OLZOCXBDSA-N 2 2 277.328 -0.259 20 0 CBADLP C[NH+](C)[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1n1ccnn1 ZINC001549671768 923625013 /nfs/dbraw/zinc/62/50/13/923625013.db2.gz OMSCBEKWOVPKKG-QWRGUYRKSA-N 2 2 289.343 -0.443 20 0 CBADLP Cn1cnc([C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]2[NH3+])c1 ZINC001549746212 923637544 /nfs/dbraw/zinc/63/75/44/923637544.db2.gz HXXGARRQQSSXPL-VXGBXAGGSA-N 2 2 288.355 -0.040 20 0 CBADLP C[C@H](C(=O)NC[C@H]1CC12CC[NH2+]CC2)N1CC[NH2+]CC1=O ZINC001550081624 923669109 /nfs/dbraw/zinc/66/91/09/923669109.db2.gz QTHJDJNBVRSOSJ-VXGBXAGGSA-N 2 2 294.399 -0.687 20 0 CBADLP CN1CC[NH+]([C@H]2CCN(C(=O)C(C)(C)C[NH3+])C2)CC1 ZINC001550117357 923689478 /nfs/dbraw/zinc/68/94/78/923689478.db2.gz YSVHJJMHLZYXKO-LBPRGKRZSA-N 2 2 268.405 -0.180 20 0 CBADLP O=C(C[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1)N1CC[NH2+]CC1 ZINC001550244053 923713570 /nfs/dbraw/zinc/71/35/70/923713570.db2.gz SCAWJZYHZJRONG-OAHLLOKOSA-N 3 2 280.416 -0.116 20 0 CBADLP O=C(C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1)N1CC[NH2+]CC1 ZINC001550244053 923713583 /nfs/dbraw/zinc/71/35/83/923713583.db2.gz SCAWJZYHZJRONG-OAHLLOKOSA-N 3 2 280.416 -0.116 20 0 CBADLP Cc1cc(N)nc(N2C[C@@H](n3ccnn3)[C@H]([NH+](C)C)C2)[nH+]1 ZINC001550634530 923734517 /nfs/dbraw/zinc/73/45/17/923734517.db2.gz OFTMZWSIFLAZDH-GHMZBOCLSA-N 2 2 288.359 -0.050 20 0 CBADLP Cc1cc(N)nc(N2C[C@H](n3ccnn3)[C@@H]([NH+](C)C)C2)[nH+]1 ZINC001550634543 923734786 /nfs/dbraw/zinc/73/47/86/923734786.db2.gz OFTMZWSIFLAZDH-QWRGUYRKSA-N 2 2 288.359 -0.050 20 0 CBADLP O=C1CC[C@H]([NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)[C@H](C2CC[NH2+]CC2)N1 ZINC001550914522 923753426 /nfs/dbraw/zinc/75/34/26/923753426.db2.gz VLDADWNKLPDPQL-ABHRYQDASA-N 3 2 298.406 -0.077 20 0 CBADLP O=C(C[N@@H+]1CCOC[C@@H]1C[C@@H]1CCCO1)N1CC[NH2+]CC1 ZINC001551395105 923773808 /nfs/dbraw/zinc/77/38/08/923773808.db2.gz KRDYHPFLSRQHNJ-KBPBESRZSA-N 2 2 297.399 -0.312 20 0 CBADLP O=C(C[N@H+]1CCOC[C@@H]1C[C@@H]1CCCO1)N1CC[NH2+]CC1 ZINC001551395105 923773817 /nfs/dbraw/zinc/77/38/17/923773817.db2.gz KRDYHPFLSRQHNJ-KBPBESRZSA-N 2 2 297.399 -0.312 20 0 CBADLP O=C(C[N@@H+]1CCOC[C@H]1C[C@@H]1CCOC1)N1CC[NH2+]CC1 ZINC001551394663 923774039 /nfs/dbraw/zinc/77/40/39/923774039.db2.gz AHEUSAWBIAAOLC-UONOGXRCSA-N 2 2 297.399 -0.454 20 0 CBADLP O=C(C[N@H+]1CCOC[C@H]1C[C@@H]1CCOC1)N1CC[NH2+]CC1 ZINC001551394663 923774051 /nfs/dbraw/zinc/77/40/51/923774051.db2.gz AHEUSAWBIAAOLC-UONOGXRCSA-N 2 2 297.399 -0.454 20 0 CBADLP CNC(=O)[C@@]12C[N@H+](C[C@H]3C[NH2+]CCO3)C[C@@H]1COCC2 ZINC001551407113 923774989 /nfs/dbraw/zinc/77/49/89/923774989.db2.gz FUSCAYAOCCPUHJ-BZPMIXESSA-N 2 2 283.372 -0.941 20 0 CBADLP CNC(=O)[C@@]12C[N@@H+](C[C@H]3C[NH2+]CCO3)C[C@@H]1COCC2 ZINC001551407113 923775004 /nfs/dbraw/zinc/77/50/04/923775004.db2.gz FUSCAYAOCCPUHJ-BZPMIXESSA-N 2 2 283.372 -0.941 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)NC1CC2(C[C@H]2[NH3+])C1 ZINC001551588167 923804100 /nfs/dbraw/zinc/80/41/00/923804100.db2.gz KOLTXPSPVLDWKK-MBHSVXNSSA-N 2 2 282.388 -0.160 20 0 CBADLP C[N@@H+]1CCO[C@@H]2CCN(C(=O)NC3CC4(C[C@H]4[NH3+])C3)C[C@H]21 ZINC001551572726 923804119 /nfs/dbraw/zinc/80/41/19/923804119.db2.gz CBLIKQWRROQPMA-YGFYLSKRSA-N 2 2 294.399 -0.019 20 0 CBADLP C[N@H+]1CCO[C@@H]2CCN(C(=O)NC3CC4(C[C@H]4[NH3+])C3)C[C@H]21 ZINC001551572726 923804127 /nfs/dbraw/zinc/80/41/27/923804127.db2.gz CBLIKQWRROQPMA-YGFYLSKRSA-N 2 2 294.399 -0.019 20 0 CBADLP O=C(N[C@H]1C[NH2+]CC(F)(F)C1)[C@@H]1C[NH2+]CCOC1 ZINC001552164277 923845841 /nfs/dbraw/zinc/84/58/41/923845841.db2.gz RDYZOSLZNHBYAI-RKDXNWHRSA-N 2 2 263.288 -0.664 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552199314 923856036 /nfs/dbraw/zinc/85/60/36/923856036.db2.gz AMZHHRCZLBBYKJ-NQBHXWOUSA-N 2 2 264.329 -0.376 20 0 CBADLP CC1(C)C[N@H+](CCNC(=O)[C@@]23C[NH2+]C[C@@H]2COC3)CCO1 ZINC001552200950 923858346 /nfs/dbraw/zinc/85/83/46/923858346.db2.gz HXBOJZOXIMNLAX-IUODEOHRSA-N 2 2 297.399 -0.551 20 0 CBADLP CC1(C)C[N@@H+](CCNC(=O)[C@@]23C[NH2+]C[C@@H]2COC3)CCO1 ZINC001552200950 923858357 /nfs/dbraw/zinc/85/83/57/923858357.db2.gz HXBOJZOXIMNLAX-IUODEOHRSA-N 2 2 297.399 -0.551 20 0 CBADLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552201548 923858738 /nfs/dbraw/zinc/85/87/38/923858738.db2.gz QJELLKYKAPAHBH-SWLSCSKDSA-N 2 2 297.399 -0.551 20 0 CBADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552201548 923858741 /nfs/dbraw/zinc/85/87/41/923858741.db2.gz QJELLKYKAPAHBH-SWLSCSKDSA-N 2 2 297.399 -0.551 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552200762 923859357 /nfs/dbraw/zinc/85/93/57/923859357.db2.gz WOAWWIYEYWKIKK-BZPMIXESSA-N 2 2 283.372 -0.941 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@@]23C[NH2+]C[C@@H]2COC3)CC1 ZINC001552200904 923860570 /nfs/dbraw/zinc/86/05/70/923860570.db2.gz VQEQVVMLQUURIC-TZMCWYRMSA-N 2 2 283.372 -0.987 20 0 CBADLP O=C(N[C@@H]1C[NH2+]CC(F)(F)C1)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552204626 923866141 /nfs/dbraw/zinc/86/61/41/923866141.db2.gz STNDGLMUIAJNMD-ATZCPNFKSA-N 2 2 275.299 -0.664 20 0 CBADLP O=C(N1CC[C@H]([NH+]2CCOCC2)C1)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552218796 923871023 /nfs/dbraw/zinc/87/10/23/923871023.db2.gz XDLDGPWJMSKTPQ-IPYPFGDCSA-N 2 2 295.383 -0.845 20 0 CBADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552274245 923877580 /nfs/dbraw/zinc/87/75/80/923877580.db2.gz ZUXABQWNPYHBON-NFAWXSAZSA-N 2 2 297.399 -0.551 20 0 CBADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552274245 923877589 /nfs/dbraw/zinc/87/75/89/923877589.db2.gz ZUXABQWNPYHBON-NFAWXSAZSA-N 2 2 297.399 -0.551 20 0 CBADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCC1([NH3+])CC1 ZINC001552353683 923889830 /nfs/dbraw/zinc/88/98/30/923889830.db2.gz POKWUXFJUDGOFI-NEPJUHHUSA-N 2 2 282.388 -0.018 20 0 CBADLP C[NH+](C)CCNC(=O)[C@H]1CC[C@@H](C[NH+]2CCOCC2)O1 ZINC001553051385 923940565 /nfs/dbraw/zinc/94/05/65/923940565.db2.gz OMJGJQXXATVUGB-QWHCGFSZSA-N 2 2 285.388 -0.456 20 0 CBADLP O=C(NC1CC[NH2+]CC1)[C@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001553343214 923949244 /nfs/dbraw/zinc/94/92/44/923949244.db2.gz ILGQHBJHCUKZJE-ZIAGYGMSSA-N 2 2 297.399 -0.266 20 0 CBADLP [NH3+][C@@H]1CCCN(C(=O)[C@@H]2CC[C@@H](C[NH+]3CCOCC3)O2)C1 ZINC001553342510 923950645 /nfs/dbraw/zinc/95/06/45/923950645.db2.gz HEFBPWVTPXZIRZ-RDBSUJKOSA-N 2 2 297.399 -0.184 20 0 CBADLP O=C([C@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CC[NH2+]CC1 ZINC001553347445 923952688 /nfs/dbraw/zinc/95/26/88/923952688.db2.gz FSPNLOCMGIFOSR-CHWSQXEVSA-N 2 2 283.372 -0.702 20 0 CBADLP CC(C)(C[NH3+])NC(=O)[C@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001553351529 923953500 /nfs/dbraw/zinc/95/35/00/923953500.db2.gz DCIOVXXUHFPTIQ-VXGBXAGGSA-N 2 2 285.388 -0.280 20 0 CBADLP O=C(NC[C@@H]1CCC[NH2+]1)[C@@H]1CC[C@@H](C[NH+]2CCOCC2)O1 ZINC001553358120 923962216 /nfs/dbraw/zinc/96/22/16/923962216.db2.gz YDAYTKWOYMMRRG-IHRRRGAJSA-N 2 2 297.399 -0.266 20 0 CBADLP CN(C(=O)[C@@H]1CC[C@@H](C[NH+]2CCOCC2)O1)[C@H]1CC[NH2+]C1 ZINC001553360291 923964188 /nfs/dbraw/zinc/96/41/88/923964188.db2.gz XHTSVQVYFVSVFK-IHRRRGAJSA-N 2 2 297.399 -0.314 20 0 CBADLP O=C(NCCn1cc[nH+]c1)[C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1 ZINC001553404127 923976541 /nfs/dbraw/zinc/97/65/41/923976541.db2.gz CJJNMKMFZFNZIC-DCAQKATOSA-N 2 2 250.302 -0.481 20 0 CBADLP CC(C)(CNC(=O)[C@@H]1C[C@H]2OCC[C@@H]2[NH2+]1)[NH+]1CCOCC1 ZINC001553409631 923984901 /nfs/dbraw/zinc/98/49/01/923984901.db2.gz NWVJVOKIEYELCY-RWMBFGLXSA-N 2 2 297.399 -0.267 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@@H]2C[C@H]3OCC[C@H]3[NH2+]2)CC1 ZINC001553413151 923987896 /nfs/dbraw/zinc/98/78/96/923987896.db2.gz WBHIWPZAYXLBGR-FRRDWIJNSA-N 2 2 283.372 -0.704 20 0 CBADLP C[C@H](CNC(=O)N1C[C@@H]2CC[C@@]2([NH3+])C1)[NH+]1CCOCC1 ZINC001553429608 923994904 /nfs/dbraw/zinc/99/49/04/923994904.db2.gz XCMLSJIHWAKDHT-MBNYWOFBSA-N 2 2 282.388 -0.160 20 0 CBADLP C[C@H](Cc1[nH+]ccn1C)NC(=O)[C@@H]1C[C@H]2OCC[C@H]2[NH2+]1 ZINC001553427978 923996045 /nfs/dbraw/zinc/99/60/45/923996045.db2.gz KMWCBKKGFAYAAG-WISYIIOYSA-N 2 2 278.356 -0.013 20 0 CBADLP C[N@@H+]1CCO[C@H](CNC(=O)N2C[C@H]3CC[C@]3([NH3+])C2)C1 ZINC001553442058 924002339 /nfs/dbraw/zinc/00/23/39/924002339.db2.gz DCRFNDXITNZDAT-WZRBSPASSA-N 2 2 268.361 -0.550 20 0 CBADLP C[N@H+]1CCO[C@H](CNC(=O)N2C[C@H]3CC[C@]3([NH3+])C2)C1 ZINC001553442058 924002360 /nfs/dbraw/zinc/00/23/60/924002360.db2.gz DCRFNDXITNZDAT-WZRBSPASSA-N 2 2 268.361 -0.550 20 0 CBADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1C[C@H]2CC[C@]2([NH3+])C1 ZINC001553448108 924002874 /nfs/dbraw/zinc/00/28/74/924002874.db2.gz LPYTZUGGBNUXPN-NFAWXSAZSA-N 2 2 295.431 -0.245 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)N2CCC[C@]23CC[NH2+]C3)CC1 ZINC001553528147 924024793 /nfs/dbraw/zinc/02/47/93/924024793.db2.gz LNXYGSLXYJMEKF-OAHLLOKOSA-N 3 2 295.431 -0.053 20 0 CBADLP [NH3+]C1CC[NH+](CCNC(=O)N2C[C@@H]3CC[C@@]3([NH3+])C2)CC1 ZINC001553529981 924025967 /nfs/dbraw/zinc/02/59/67/924025967.db2.gz PUYINKORLRFVFI-SMDDNHRTSA-N 3 2 281.404 -0.458 20 0 CBADLP CC[N@@H+]1CC[C@H]1C(=O)N1CC[NH+](CCO)C[C@@H]1C ZINC001557001386 924098304 /nfs/dbraw/zinc/09/83/04/924098304.db2.gz XVXTVWRNCCUAOO-RYUDHWBXSA-N 2 2 255.362 -0.394 20 0 CBADLP CC[N@H+]1CC[C@H]1C(=O)N1CC[NH+](CCO)C[C@@H]1C ZINC001557001386 924098317 /nfs/dbraw/zinc/09/83/17/924098317.db2.gz XVXTVWRNCCUAOO-RYUDHWBXSA-N 2 2 255.362 -0.394 20 0 CBADLP CC[NH+]1CC[C@H]1C(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC001557001386 924098331 /nfs/dbraw/zinc/09/83/31/924098331.db2.gz XVXTVWRNCCUAOO-RYUDHWBXSA-N 2 2 255.362 -0.394 20 0 CBADLP CC[NH+]1CC[C@H]1C(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC001557001386 924098343 /nfs/dbraw/zinc/09/83/43/924098343.db2.gz XVXTVWRNCCUAOO-RYUDHWBXSA-N 2 2 255.362 -0.394 20 0 CBADLP Cc1[nH+]ccn1CCC[NH+]1CCN(S(N)(=O)=O)CC1 ZINC000124816167 187155370 /nfs/dbraw/zinc/15/53/70/187155370.db2.gz MZKIDOJJXUXFLD-UHFFFAOYSA-N 2 2 287.389 -0.597 20 0 CBADLP O=C(NCCC[NH+]1CCOCC1)NCC[NH+]1CCC1 ZINC000337632349 214188085 /nfs/dbraw/zinc/18/80/85/214188085.db2.gz ZBKWANWDPYTNFD-UHFFFAOYSA-N 2 2 270.377 -0.286 20 0 CBADLP C[NH+](C)C[C@](C)(O)CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493104415 282141566 /nfs/dbraw/zinc/14/15/66/282141566.db2.gz JQVFVFXHLKGRNF-ZYOFXKKJSA-N 2 2 252.318 -0.148 20 0 CBADLP C[C@@H]1C[N@@H+](CCCNC(=O)[C@H]2[NH2+]CCO[C@@H]2C)C[C@H](C)O1 ZINC000494309862 230353499 /nfs/dbraw/zinc/35/34/99/230353499.db2.gz PWKYFMNUDUNDAR-RQJABVFESA-N 2 2 299.415 -0.021 20 0 CBADLP C[C@@H]1C[N@H+](CCCNC(=O)[C@H]2[NH2+]CCO[C@@H]2C)C[C@H](C)O1 ZINC000494309862 230353504 /nfs/dbraw/zinc/35/35/04/230353504.db2.gz PWKYFMNUDUNDAR-RQJABVFESA-N 2 2 299.415 -0.021 20 0 CBADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CC(=O)NC(N)=O ZINC000441185303 282211187 /nfs/dbraw/zinc/21/11/87/282211187.db2.gz ZNBIDQMJCSUOKX-GMTAPVOTSA-N 2 2 284.360 -0.635 20 0 CBADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CC(=O)NC(N)=O ZINC000441185303 282211188 /nfs/dbraw/zinc/21/11/88/282211188.db2.gz ZNBIDQMJCSUOKX-GMTAPVOTSA-N 2 2 284.360 -0.635 20 0 CBADLP CO[C@@H](C[NH3+])C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000227344138 136387589 /nfs/dbraw/zinc/38/75/89/136387589.db2.gz GRDNMRKUOOMHHK-NSHDSACASA-N 2 2 264.329 -0.296 20 0 CBADLP CCNC(=O)C[NH+]1CCN(C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000351391129 219095122 /nfs/dbraw/zinc/09/51/22/219095122.db2.gz WUOUECJOLIIRTM-CQSZACIVSA-N 2 2 298.431 -0.805 20 0 CBADLP CCNC(=O)C[NH+]1CCN(C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000351391129 219095125 /nfs/dbraw/zinc/09/51/25/219095125.db2.gz WUOUECJOLIIRTM-CQSZACIVSA-N 2 2 298.431 -0.805 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+]3CCCC[C@H]3CO2)C1 ZINC000378290707 529787477 /nfs/dbraw/zinc/78/74/77/529787477.db2.gz HHYCHTGAQUFDJR-MJBXVCDLSA-N 2 2 297.399 -0.314 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+]3CCCC[C@H]3CO2)C1 ZINC000378290707 529787478 /nfs/dbraw/zinc/78/74/78/529787478.db2.gz HHYCHTGAQUFDJR-MJBXVCDLSA-N 2 2 297.399 -0.314 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+]3CCCC[C@H]3CO2)C1 ZINC000378290707 529787480 /nfs/dbraw/zinc/78/74/80/529787480.db2.gz HHYCHTGAQUFDJR-MJBXVCDLSA-N 2 2 297.399 -0.314 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@H+]3CCCC[C@H]3CO2)C1 ZINC000378290707 529787481 /nfs/dbraw/zinc/78/74/81/529787481.db2.gz HHYCHTGAQUFDJR-MJBXVCDLSA-N 2 2 297.399 -0.314 20 0 CBADLP C[C@H](CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)Cn1cc[nH+]c1 ZINC000351537385 219118746 /nfs/dbraw/zinc/11/87/46/219118746.db2.gz IXRAWXBKHVLTNJ-NEPJUHHUSA-N 2 2 293.371 -0.496 20 0 CBADLP COC[C@@](C)(CCO)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351541077 219120878 /nfs/dbraw/zinc/12/08/78/219120878.db2.gz PNBZFOVKBSZWTA-CHWSQXEVSA-N 2 2 260.378 -0.181 20 0 CBADLP COC[C@@](C)(CCO)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351541077 219120880 /nfs/dbraw/zinc/12/08/80/219120880.db2.gz PNBZFOVKBSZWTA-CHWSQXEVSA-N 2 2 260.378 -0.181 20 0 CBADLP C[NH2+]CC(=O)N1CC[N@H+](C[C@H]2CN(C)CCO2)C[C@@H]1C ZINC000376586100 529956230 /nfs/dbraw/zinc/95/62/30/529956230.db2.gz JNZOUKLMFXKEQT-QWHCGFSZSA-N 2 2 284.404 -0.931 20 0 CBADLP C[NH2+]CC(=O)N1CC[N@@H+](C[C@H]2CN(C)CCO2)C[C@@H]1C ZINC000376586100 529956231 /nfs/dbraw/zinc/95/62/31/529956231.db2.gz JNZOUKLMFXKEQT-QWHCGFSZSA-N 2 2 284.404 -0.931 20 0 CBADLP CNC(=O)[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)C(C)C ZINC000351581734 219134596 /nfs/dbraw/zinc/13/45/96/219134596.db2.gz OLOOYCPGYRDTLD-NWDGAFQWSA-N 2 2 257.378 -0.198 20 0 CBADLP CNC(=O)[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)C(C)C ZINC000351581734 219134598 /nfs/dbraw/zinc/13/45/98/219134598.db2.gz OLOOYCPGYRDTLD-NWDGAFQWSA-N 2 2 257.378 -0.198 20 0 CBADLP COC(=O)C[C@@]1([NH2+]C[C@H](O)C[N@H+](C)C2CC2)CCOC1 ZINC000351597510 219138708 /nfs/dbraw/zinc/13/87/08/219138708.db2.gz BAVMGPJNTUHSGH-JSGCOSHPSA-N 2 2 286.372 -0.247 20 0 CBADLP COC(=O)C[C@@]1([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)CCOC1 ZINC000351597510 219138711 /nfs/dbraw/zinc/13/87/11/219138711.db2.gz BAVMGPJNTUHSGH-JSGCOSHPSA-N 2 2 286.372 -0.247 20 0 CBADLP CNC(=O)N[C@@H]1CC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000351598443 219139260 /nfs/dbraw/zinc/13/92/60/219139260.db2.gz CBBPZFYZYGPQDY-PWSUYJOCSA-N 2 2 270.377 -0.555 20 0 CBADLP CNC(=O)N[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000351598443 219139262 /nfs/dbraw/zinc/13/92/62/219139262.db2.gz CBBPZFYZYGPQDY-PWSUYJOCSA-N 2 2 270.377 -0.555 20 0 CBADLP CNC(=O)N[C@@H]1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000351598443 219139263 /nfs/dbraw/zinc/13/92/63/219139263.db2.gz CBBPZFYZYGPQDY-PWSUYJOCSA-N 2 2 270.377 -0.555 20 0 CBADLP CNC(=O)N[C@@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000351598443 219139265 /nfs/dbraw/zinc/13/92/65/219139265.db2.gz CBBPZFYZYGPQDY-PWSUYJOCSA-N 2 2 270.377 -0.555 20 0 CBADLP C[N@H+](C[C@@H](O)C[NH+]1CC[C@@H](NC(=O)NC2CC2)C1)C1CC1 ZINC000351599327 219139353 /nfs/dbraw/zinc/13/93/53/219139353.db2.gz WYUIYJXBEFDSTD-TZMCWYRMSA-N 2 2 296.415 -0.023 20 0 CBADLP C[N@@H+](C[C@@H](O)C[NH+]1CC[C@@H](NC(=O)NC2CC2)C1)C1CC1 ZINC000351599327 219139355 /nfs/dbraw/zinc/13/93/55/219139355.db2.gz WYUIYJXBEFDSTD-TZMCWYRMSA-N 2 2 296.415 -0.023 20 0 CBADLP C[NH+](C[C@@H](O)C[N@@H+]1CC[C@@H](NC(=O)NC2CC2)C1)C1CC1 ZINC000351599327 219139357 /nfs/dbraw/zinc/13/93/57/219139357.db2.gz WYUIYJXBEFDSTD-TZMCWYRMSA-N 2 2 296.415 -0.023 20 0 CBADLP C[NH+](C[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)NC2CC2)C1)C1CC1 ZINC000351599327 219139359 /nfs/dbraw/zinc/13/93/59/219139359.db2.gz WYUIYJXBEFDSTD-TZMCWYRMSA-N 2 2 296.415 -0.023 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH+]2CCC3(CCOC3=O)CC2)CC1 ZINC000376506872 530067946 /nfs/dbraw/zinc/06/79/46/530067946.db2.gz SIZXNLOGGOHLPK-UHFFFAOYSA-N 2 2 295.383 -0.211 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@](F)(CO)C2)CC1 ZINC000376501165 530067952 /nfs/dbraw/zinc/06/79/52/530067952.db2.gz KJFKSLGTEZSMCN-ZDUSSCGKSA-N 2 2 273.352 -0.443 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@](F)(CO)C2)CC1 ZINC000376501165 530067953 /nfs/dbraw/zinc/06/79/53/530067953.db2.gz KJFKSLGTEZSMCN-ZDUSSCGKSA-N 2 2 273.352 -0.443 20 0 CBADLP C[C@@H](C(=O)N1CC[NH2+][C@@H](C)[C@H]1C)[NH+]1CCOCC1 ZINC000434704261 295737572 /nfs/dbraw/zinc/73/75/72/295737572.db2.gz XKNBCTIYFMWHPR-TUAOUCFPSA-N 2 2 255.362 -0.084 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](Cc2c[nH+]c[nH]2)NC(C)=O)CC1 ZINC000339231439 215029232 /nfs/dbraw/zinc/02/92/32/215029232.db2.gz NLGUZPYOOBZJPB-ZDUSSCGKSA-N 2 2 293.371 -0.379 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(C)=O)CC1 ZINC000339231439 215029235 /nfs/dbraw/zinc/02/92/35/215029235.db2.gz NLGUZPYOOBZJPB-ZDUSSCGKSA-N 2 2 293.371 -0.379 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2C[C@H](C)[C@H](O)C2)CC1 ZINC000351807803 219212883 /nfs/dbraw/zinc/21/28/83/219212883.db2.gz IAHKCXGQFLVGIJ-RWMBFGLXSA-N 2 2 269.389 -0.148 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2C[C@H](C)[C@H](O)C2)CC1 ZINC000351807803 219212885 /nfs/dbraw/zinc/21/28/85/219212885.db2.gz IAHKCXGQFLVGIJ-RWMBFGLXSA-N 2 2 269.389 -0.148 20 0 CBADLP COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000351857891 219227921 /nfs/dbraw/zinc/22/79/21/219227921.db2.gz CQTHIDYJZRGPNP-HBNTYKKESA-N 2 2 286.376 -0.484 20 0 CBADLP COC[C@H](C)NC(=O)NC(=O)C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000351857891 219227924 /nfs/dbraw/zinc/22/79/24/219227924.db2.gz CQTHIDYJZRGPNP-HBNTYKKESA-N 2 2 286.376 -0.484 20 0 CBADLP COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351857890 219229176 /nfs/dbraw/zinc/22/91/76/219229176.db2.gz CQTHIDYJZRGPNP-GARJFASQSA-N 2 2 286.376 -0.484 20 0 CBADLP COC[C@H](C)NC(=O)NC(=O)C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351857890 219229177 /nfs/dbraw/zinc/22/91/77/219229177.db2.gz CQTHIDYJZRGPNP-GARJFASQSA-N 2 2 286.376 -0.484 20 0 CBADLP COC(=O)Cn1cc(C[NH2+][C@@H](C)CC[NH+](C)C)nn1 ZINC000274412444 352536806 /nfs/dbraw/zinc/53/68/06/352536806.db2.gz JGFQVYVQUGZOIO-JTQLQIEISA-N 2 2 269.349 -0.119 20 0 CBADLP CC[C@]1(C(=O)NCC[NH+]2CCOCC2)CCC[NH2+]1 ZINC000128720808 187385855 /nfs/dbraw/zinc/38/58/55/187385855.db2.gz CJJUTRVZLZWGHI-CYBMUJFWSA-N 2 2 255.362 -0.033 20 0 CBADLP C[C@@H]1CN(C[C@H](O)C[NH+]2CCOCC2)[C@@H](C)C[N@@H+]1C ZINC000351957398 219265834 /nfs/dbraw/zinc/26/58/34/219265834.db2.gz GGVMPCCRXDMEHH-HZSPNIEDSA-N 2 2 271.405 -0.296 20 0 CBADLP C[C@@H]1CN(C[C@H](O)C[NH+]2CCOCC2)[C@@H](C)C[N@H+]1C ZINC000351957398 219265835 /nfs/dbraw/zinc/26/58/35/219265835.db2.gz GGVMPCCRXDMEHH-HZSPNIEDSA-N 2 2 271.405 -0.296 20 0 CBADLP CC[C@H](C)NC(=O)C[NH+]1CCN(C[C@H](C)[NH3+])CC1 ZINC000573803303 334967533 /nfs/dbraw/zinc/96/75/33/334967533.db2.gz WMEPSGUKFWXXMD-RYUDHWBXSA-N 2 2 256.394 -0.134 20 0 CBADLP C[C@@H]1C[N@H+](C)[C@H](C)CN1C[C@H](O)C[NH+]1CCOCC1 ZINC000351957403 219265395 /nfs/dbraw/zinc/26/53/95/219265395.db2.gz GGVMPCCRXDMEHH-MGPQQGTHSA-N 2 2 271.405 -0.296 20 0 CBADLP C[C@@H]1C[N@@H+](C)[C@H](C)CN1C[C@H](O)C[NH+]1CCOCC1 ZINC000351957403 219265396 /nfs/dbraw/zinc/26/53/96/219265396.db2.gz GGVMPCCRXDMEHH-MGPQQGTHSA-N 2 2 271.405 -0.296 20 0 CBADLP CC[NH+](CC)CCNC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000339576492 215252278 /nfs/dbraw/zinc/25/22/78/215252278.db2.gz IAZQDPMHHPPNPB-UHFFFAOYSA-N 2 2 296.415 -0.249 20 0 CBADLP C[NH+]1CCN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000061745041 282672511 /nfs/dbraw/zinc/67/25/11/282672511.db2.gz YLVJSBVOGCKLMW-UHFFFAOYSA-N 2 2 298.431 -0.539 20 0 CBADLP CC[N@H+](C[C@@H](O)C[NH+](C)C1CC1)[C@H]1CCNC1=O ZINC000352103459 219321573 /nfs/dbraw/zinc/32/15/73/219321573.db2.gz OSWRPJAXWOUSPQ-RYUDHWBXSA-N 2 2 255.362 -0.348 20 0 CBADLP CC[N@@H+](C[C@@H](O)C[NH+](C)C1CC1)[C@H]1CCNC1=O ZINC000352103459 219321574 /nfs/dbraw/zinc/32/15/74/219321574.db2.gz OSWRPJAXWOUSPQ-RYUDHWBXSA-N 2 2 255.362 -0.348 20 0 CBADLP CC[NH+](C[C@@H](O)C[N@H+](C)C1CC1)[C@H]1CCNC1=O ZINC000352103459 219321577 /nfs/dbraw/zinc/32/15/77/219321577.db2.gz OSWRPJAXWOUSPQ-RYUDHWBXSA-N 2 2 255.362 -0.348 20 0 CBADLP CC[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)[C@H]1CCNC1=O ZINC000352103459 219321578 /nfs/dbraw/zinc/32/15/78/219321578.db2.gz OSWRPJAXWOUSPQ-RYUDHWBXSA-N 2 2 255.362 -0.348 20 0 CBADLP C[C@@H](C(=O)N1CCN(CC[NH+](C)C)CC1)[NH+]1CCOCC1 ZINC000339776500 215336559 /nfs/dbraw/zinc/33/65/59/215336559.db2.gz LGIZZKADSOAODC-AWEZNQCLSA-N 2 2 298.431 -0.587 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H](O)CC2)CC1 ZINC000339778367 215337794 /nfs/dbraw/zinc/33/77/94/215337794.db2.gz FRMFYYDFPGIQBC-LBPRGKRZSA-N 2 2 255.362 -0.393 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H](O)CC2)CC1 ZINC000339778367 215337796 /nfs/dbraw/zinc/33/77/96/215337796.db2.gz FRMFYYDFPGIQBC-LBPRGKRZSA-N 2 2 255.362 -0.393 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CCCC[NH2+]1 ZINC000037008652 351396388 /nfs/dbraw/zinc/39/63/88/351396388.db2.gz GEXONJHXZUULLW-VXGBXAGGSA-N 2 2 255.362 -0.035 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C1CC[NH2+]CC1 ZINC000037008648 351396703 /nfs/dbraw/zinc/39/67/03/351396703.db2.gz DRHCRMWXMSUHDM-LLVKDONJSA-N 2 2 255.362 -0.177 20 0 CBADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(CCC[NH3+])CC1 ZINC000037037908 351396938 /nfs/dbraw/zinc/39/69/38/351396938.db2.gz FXDFAOXBDFVORG-ZDUSSCGKSA-N 2 2 268.405 -0.036 20 0 CBADLP C[C@@H](C(=O)N1CCCC1)N1CC[NH+](CCC[NH3+])CC1 ZINC000037037908 351396942 /nfs/dbraw/zinc/39/69/42/351396942.db2.gz FXDFAOXBDFVORG-ZDUSSCGKSA-N 2 2 268.405 -0.036 20 0 CBADLP C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(CCC[NH3+])CC1 ZINC000037037907 351397230 /nfs/dbraw/zinc/39/72/30/351397230.db2.gz FVRMWXNMRXMWGV-CYBMUJFWSA-N 2 2 284.404 -0.800 20 0 CBADLP C[C@H](C(=O)N1CCOCC1)N1CC[NH+](CCC[NH3+])CC1 ZINC000037037907 351397232 /nfs/dbraw/zinc/39/72/32/351397232.db2.gz FVRMWXNMRXMWGV-CYBMUJFWSA-N 2 2 284.404 -0.800 20 0 CBADLP CC[NH+]1CCC(NC(=O)C[N@H+](CC(N)=O)C(C)C)CC1 ZINC000016419648 351343749 /nfs/dbraw/zinc/34/37/49/351343749.db2.gz DGLKIKVSFLROOV-UHFFFAOYSA-N 2 2 284.404 -0.217 20 0 CBADLP CC[NH+]1CCC(NC(=O)C[N@@H+](CC(N)=O)C(C)C)CC1 ZINC000016419648 351343753 /nfs/dbraw/zinc/34/37/53/351343753.db2.gz DGLKIKVSFLROOV-UHFFFAOYSA-N 2 2 284.404 -0.217 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000042166534 351428037 /nfs/dbraw/zinc/42/80/37/351428037.db2.gz CZJPEGMLSJWXMV-RYUDHWBXSA-N 2 2 255.362 -0.035 20 0 CBADLP NC(=O)NC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037918033 351411243 /nfs/dbraw/zinc/41/12/43/351411243.db2.gz GHAZCNIBORHCBJ-ZJUUUORDSA-N 2 2 254.334 -0.355 20 0 CBADLP NC(=O)NC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037918033 351411246 /nfs/dbraw/zinc/41/12/46/351411246.db2.gz GHAZCNIBORHCBJ-ZJUUUORDSA-N 2 2 254.334 -0.355 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCCC[C@@H]2CCO)CC1 ZINC000049801446 351496332 /nfs/dbraw/zinc/49/63/32/351496332.db2.gz ZOZMHXAFRCGDEM-CYBMUJFWSA-N 2 2 269.389 -0.003 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CCCC[C@@H]2CCO)CC1 ZINC000049801446 351496336 /nfs/dbraw/zinc/49/63/36/351496336.db2.gz ZOZMHXAFRCGDEM-CYBMUJFWSA-N 2 2 269.389 -0.003 20 0 CBADLP COC(=O)CC[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000050067714 351499540 /nfs/dbraw/zinc/49/95/40/351499540.db2.gz PQVQUBMFJGMAMB-UHFFFAOYSA-N 2 2 257.334 -0.745 20 0 CBADLP COC(=O)CC[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000050067714 351499542 /nfs/dbraw/zinc/49/95/42/351499542.db2.gz PQVQUBMFJGMAMB-UHFFFAOYSA-N 2 2 257.334 -0.745 20 0 CBADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCN1C(=O)CNC1=O ZINC000063195070 351581189 /nfs/dbraw/zinc/58/11/89/351581189.db2.gz ANKLWPHNDGFLKU-ZJUUUORDSA-N 2 2 254.334 -0.260 20 0 CBADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1CCN1C(=O)CNC1=O ZINC000063195070 351581196 /nfs/dbraw/zinc/58/11/96/351581196.db2.gz ANKLWPHNDGFLKU-ZJUUUORDSA-N 2 2 254.334 -0.260 20 0 CBADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@H]2C(N)=O)CC1 ZINC000066563580 351600684 /nfs/dbraw/zinc/60/06/84/351600684.db2.gz IIGDNWUPFZPEPY-ZDUSSCGKSA-N 2 2 296.415 -0.073 20 0 CBADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@H]2C(N)=O)CC1 ZINC000066563580 351600688 /nfs/dbraw/zinc/60/06/88/351600688.db2.gz IIGDNWUPFZPEPY-ZDUSSCGKSA-N 2 2 296.415 -0.073 20 0 CBADLP C[C@H]1C[N@@H+](C2CC[NH+](CCC(=O)NC(N)=O)CC2)CCO1 ZINC000068520592 351619746 /nfs/dbraw/zinc/61/97/46/351619746.db2.gz SPYOWTZJGOHZRG-NSHDSACASA-N 2 2 298.387 -0.244 20 0 CBADLP C[C@H]1C[N@H+](C2CC[NH+](CCC(=O)NC(N)=O)CC2)CCO1 ZINC000068520592 351619749 /nfs/dbraw/zinc/61/97/49/351619749.db2.gz SPYOWTZJGOHZRG-NSHDSACASA-N 2 2 298.387 -0.244 20 0 CBADLP CC(C)OC[C@H](O)C[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000068805203 351622597 /nfs/dbraw/zinc/62/25/97/351622597.db2.gz CFSHRDHHLNNZMS-CHWSQXEVSA-N 2 2 259.394 -0.392 20 0 CBADLP CC(C)OC[C@H](O)C[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000068805203 351622599 /nfs/dbraw/zinc/62/25/99/351622599.db2.gz CFSHRDHHLNNZMS-CHWSQXEVSA-N 2 2 259.394 -0.392 20 0 CBADLP CN(C)c1[nH+]cc(CNC(=O)[C@H]2C[N@H+](C)CCO2)n1C ZINC000081394581 351705658 /nfs/dbraw/zinc/70/56/58/351705658.db2.gz CHRNFOHFZCQTQM-LLVKDONJSA-N 2 2 281.360 -0.567 20 0 CBADLP CN(C)c1[nH+]cc(CNC(=O)[C@H]2C[N@@H+](C)CCO2)n1C ZINC000081394581 351705659 /nfs/dbraw/zinc/70/56/59/351705659.db2.gz CHRNFOHFZCQTQM-LLVKDONJSA-N 2 2 281.360 -0.567 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[NH+]([C@@H]3CCSC3)CC2)C1 ZINC000087495442 351721480 /nfs/dbraw/zinc/72/14/80/351721480.db2.gz NQDOZIHSYXFZNE-OLZOCXBDSA-N 2 2 299.440 -0.033 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N2CC[NH+]([C@@H]3CCSC3)CC2)C1 ZINC000087495442 351721483 /nfs/dbraw/zinc/72/14/83/351721483.db2.gz NQDOZIHSYXFZNE-OLZOCXBDSA-N 2 2 299.440 -0.033 20 0 CBADLP C[C@H](C[NH+]1CCCCC1)NC(=O)[C@@H]1COCC[NH2+]1 ZINC000088358086 351724136 /nfs/dbraw/zinc/72/41/36/351724136.db2.gz LTZAEPFINFMHSG-NEPJUHHUSA-N 2 2 255.362 -0.035 20 0 CBADLP CC(C)(CNC(=O)[C@H]1COCC[NH2+]1)[NH+]1CCOCC1 ZINC000088371595 351725277 /nfs/dbraw/zinc/72/52/77/351725277.db2.gz MEKNULWBXMDOMS-LLVKDONJSA-N 2 2 271.361 -0.798 20 0 CBADLP C[NH2+]C[C@H](C)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000092136992 351748541 /nfs/dbraw/zinc/74/85/41/351748541.db2.gz ZUCJQVDKJZWIBY-NWDGAFQWSA-N 2 2 255.362 -0.225 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)C[C@@H](C)C(=O)NC)CC1 ZINC000081524995 351708034 /nfs/dbraw/zinc/70/80/34/351708034.db2.gz VYFFSUOGOCNBIX-OLZOCXBDSA-N 2 2 298.431 -0.147 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)C[C@@H](C)C(=O)NC)CC1 ZINC000081524995 351708038 /nfs/dbraw/zinc/70/80/38/351708038.db2.gz VYFFSUOGOCNBIX-OLZOCXBDSA-N 2 2 298.431 -0.147 20 0 CBADLP CCCNC(=O)NC(=O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000107575293 351794812 /nfs/dbraw/zinc/79/48/12/351794812.db2.gz KANAALIECDICTC-NXEZZACHSA-N 2 2 254.334 -0.627 20 0 CBADLP COC(=O)C1CCN(C(=O)C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000107575321 351794930 /nfs/dbraw/zinc/79/49/30/351794930.db2.gz CRELVSDENMGCAW-BETUJISGSA-N 2 2 295.383 -0.451 20 0 CBADLP COC(=O)C1CCN(C(=O)C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000107575321 351794935 /nfs/dbraw/zinc/79/49/35/351794935.db2.gz CRELVSDENMGCAW-BETUJISGSA-N 2 2 295.383 -0.451 20 0 CBADLP CC(C)(C)NC(=O)NC(=O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000107577328 351795207 /nfs/dbraw/zinc/79/52/07/351795207.db2.gz MPYAKIXWISSYQS-NXEZZACHSA-N 2 2 268.361 -0.238 20 0 CBADLP CCOC(=O)CCCNC(=O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107574425 351795262 /nfs/dbraw/zinc/79/52/62/351795262.db2.gz GNEWRJBACCGPIS-TXEJJXNPSA-N 2 2 283.372 -0.403 20 0 CBADLP CCOC(=O)CCCNC(=O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107574425 351795263 /nfs/dbraw/zinc/79/52/63/351795263.db2.gz GNEWRJBACCGPIS-TXEJJXNPSA-N 2 2 283.372 -0.403 20 0 CBADLP CCC(=O)N[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000093169232 351757845 /nfs/dbraw/zinc/75/78/45/351757845.db2.gz COSZUHDWIIAAQB-CYBMUJFWSA-N 2 2 296.415 -0.249 20 0 CBADLP CCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000093169232 351757846 /nfs/dbraw/zinc/75/78/46/351757846.db2.gz COSZUHDWIIAAQB-CYBMUJFWSA-N 2 2 296.415 -0.249 20 0 CBADLP CNC(=O)CCC[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000093208269 351758094 /nfs/dbraw/zinc/75/80/94/351758094.db2.gz OFGJUVAZGOISFP-UHFFFAOYSA-N 2 2 270.377 -0.782 20 0 CBADLP CNC(=O)CCC[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000093208269 351758098 /nfs/dbraw/zinc/75/80/98/351758098.db2.gz OFGJUVAZGOISFP-UHFFFAOYSA-N 2 2 270.377 -0.782 20 0 CBADLP CC(=O)N1CCN(C(=O)C[N@@H+](C)CC(C)(C)C[NH3+])CC1 ZINC000093874236 351762106 /nfs/dbraw/zinc/76/21/06/351762106.db2.gz YCMSLFXREWZCEG-UHFFFAOYSA-N 2 2 284.404 -0.406 20 0 CBADLP CC(=O)N1CCN(C(=O)C[N@H+](C)CC(C)(C)C[NH3+])CC1 ZINC000093874236 351762111 /nfs/dbraw/zinc/76/21/11/351762111.db2.gz YCMSLFXREWZCEG-UHFFFAOYSA-N 2 2 284.404 -0.406 20 0 CBADLP C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000094647304 351764104 /nfs/dbraw/zinc/76/41/04/351764104.db2.gz XQCZWCOPEYQPIT-VXGBXAGGSA-N 2 2 255.362 -0.489 20 0 CBADLP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000094648742 351765581 /nfs/dbraw/zinc/76/55/81/351765581.db2.gz NCRNAYWPZDYPLV-QJPTWQEYSA-N 2 2 255.362 -0.179 20 0 CBADLP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000094648742 351765584 /nfs/dbraw/zinc/76/55/84/351765584.db2.gz NCRNAYWPZDYPLV-QJPTWQEYSA-N 2 2 255.362 -0.179 20 0 CBADLP [NH3+]C1(CNC(=O)CN2CC[NH2+]CC2=O)CCCCCC1 ZINC000122535090 351852815 /nfs/dbraw/zinc/85/28/15/351852815.db2.gz TTXOZBOYSCSODL-UHFFFAOYSA-N 2 2 282.388 -0.414 20 0 CBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CCC(=O)N1 ZINC000122976939 351853233 /nfs/dbraw/zinc/85/32/33/351853233.db2.gz ZDAMBNQEDLIBDJ-CYBMUJFWSA-N 2 2 296.415 -0.251 20 0 CBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CCC(=O)N1 ZINC000122976939 351853238 /nfs/dbraw/zinc/85/32/38/351853238.db2.gz ZDAMBNQEDLIBDJ-CYBMUJFWSA-N 2 2 296.415 -0.251 20 0 CBADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCC(=O)OC)[C@H](C)C1 ZINC000125763956 351858304 /nfs/dbraw/zinc/85/83/04/351858304.db2.gz PYPIYAFDGYSTEO-NEPJUHHUSA-N 2 2 285.388 -0.062 20 0 CBADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCC(=O)OC)[C@H](C)C1 ZINC000125763956 351858309 /nfs/dbraw/zinc/85/83/09/351858309.db2.gz PYPIYAFDGYSTEO-NEPJUHHUSA-N 2 2 285.388 -0.062 20 0 CBADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCC(=O)OC)[C@H](C)C1 ZINC000125763956 351858313 /nfs/dbraw/zinc/85/83/13/351858313.db2.gz PYPIYAFDGYSTEO-NEPJUHHUSA-N 2 2 285.388 -0.062 20 0 CBADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCC(=O)OC)[C@H](C)C1 ZINC000125763956 351858316 /nfs/dbraw/zinc/85/83/16/351858316.db2.gz PYPIYAFDGYSTEO-NEPJUHHUSA-N 2 2 285.388 -0.062 20 0 CBADLP C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000120973720 351845237 /nfs/dbraw/zinc/84/52/37/351845237.db2.gz QOQYOXIZBJZRBA-VXGBXAGGSA-N 2 2 282.388 -0.654 20 0 CBADLP C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000120973720 351845239 /nfs/dbraw/zinc/84/52/39/351845239.db2.gz QOQYOXIZBJZRBA-VXGBXAGGSA-N 2 2 282.388 -0.654 20 0 CBADLP C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000120973562 351845291 /nfs/dbraw/zinc/84/52/91/351845291.db2.gz QOQYOXIZBJZRBA-RYUDHWBXSA-N 2 2 282.388 -0.654 20 0 CBADLP C[C@H]1CC[C@H](C(N)=O)C[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000120973562 351845292 /nfs/dbraw/zinc/84/52/92/351845292.db2.gz QOQYOXIZBJZRBA-RYUDHWBXSA-N 2 2 282.388 -0.654 20 0 CBADLP C[C@@H](CNC(=O)C[C@@H]1CC[NH2+]C1)[NH+]1CCOCC1 ZINC000130422695 351879349 /nfs/dbraw/zinc/87/93/49/351879349.db2.gz NCKCWMCWRWCSNV-RYUDHWBXSA-N 2 2 255.362 -0.177 20 0 CBADLP CC(=O)N1CCN(C(=O)C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)CC1 ZINC000129179542 351869026 /nfs/dbraw/zinc/86/90/26/351869026.db2.gz VJSUJBCFXOUWPN-WCQYABFASA-N 2 2 282.388 -0.511 20 0 CBADLP CC(=O)N1CCN(C(=O)C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)CC1 ZINC000129179542 351869027 /nfs/dbraw/zinc/86/90/27/351869027.db2.gz VJSUJBCFXOUWPN-WCQYABFASA-N 2 2 282.388 -0.511 20 0 CBADLP CNC(=O)CC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000129465824 351870305 /nfs/dbraw/zinc/87/03/05/351870305.db2.gz RKKYMLRTHKGBIG-GFCCVEGCSA-N 2 2 255.362 -0.223 20 0 CBADLP CNC(=O)CC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000129465824 351870310 /nfs/dbraw/zinc/87/03/10/351870310.db2.gz RKKYMLRTHKGBIG-GFCCVEGCSA-N 2 2 255.362 -0.223 20 0 CBADLP OCCOCC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129513773 351871435 /nfs/dbraw/zinc/87/14/35/351871435.db2.gz VBMQBDDNXZYANJ-ZDUSSCGKSA-N 2 2 258.362 -0.351 20 0 CBADLP OCCOCC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129513773 351871437 /nfs/dbraw/zinc/87/14/37/351871437.db2.gz VBMQBDDNXZYANJ-ZDUSSCGKSA-N 2 2 258.362 -0.351 20 0 CBADLP OCCOCC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000129513565 351871850 /nfs/dbraw/zinc/87/18/50/351871850.db2.gz VBMQBDDNXZYANJ-CYBMUJFWSA-N 2 2 258.362 -0.351 20 0 CBADLP OCCOCC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000129513565 351871852 /nfs/dbraw/zinc/87/18/52/351871852.db2.gz VBMQBDDNXZYANJ-CYBMUJFWSA-N 2 2 258.362 -0.351 20 0 CBADLP C[N@H+]1CCN(C(=O)[C@@H]2CC23CC[NH2+]CC3)[C@@H](C[NH3+])C1 ZINC000136809222 351920722 /nfs/dbraw/zinc/92/07/22/351920722.db2.gz ATMZFJLGBBTDHT-RYUDHWBXSA-N 3 2 266.389 -0.523 20 0 CBADLP C[C@@H](C(=O)NC[C@@](C)(O)C[NH+](C)C)[NH+]1CCSCC1 ZINC000152846345 351941822 /nfs/dbraw/zinc/94/18/22/351941822.db2.gz XJSAESSVPVDFMH-WCQYABFASA-N 2 2 289.445 -0.148 20 0 CBADLP C[C@H](O)C[N@H+](C)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000131295677 351885120 /nfs/dbraw/zinc/88/51/20/351885120.db2.gz KJLGQTYPKXBPCH-LBPRGKRZSA-N 2 2 287.404 -0.474 20 0 CBADLP C[C@H](O)C[N@@H+](C)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000131295677 351885123 /nfs/dbraw/zinc/88/51/23/351885123.db2.gz KJLGQTYPKXBPCH-LBPRGKRZSA-N 2 2 287.404 -0.474 20 0 CBADLP C[C@H]([C@H](C)NC(=O)NCC[NH+](C)C)[NH+]1CCOCC1 ZINC000133625726 351900905 /nfs/dbraw/zinc/90/09/05/351900905.db2.gz ZDLBRJXBKGLQCQ-NWDGAFQWSA-N 2 2 272.393 -0.044 20 0 CBADLP CCO[C@H]1C[C@]([NH3+])(C(=O)NCC[NH+]2CCOCC2)C1(C)C ZINC000133805458 351902334 /nfs/dbraw/zinc/90/23/34/351902334.db2.gz MQRMJRPWTLHKIA-WFASDCNBSA-N 2 2 299.415 -0.033 20 0 CBADLP C[N@@H+]1CCN(C(=O)CCC2CC[NH2+]CC2)[C@H](C[NH3+])C1 ZINC000154530138 351947003 /nfs/dbraw/zinc/94/70/03/351947003.db2.gz SOFZXLKJGCMHPX-CYBMUJFWSA-N 3 2 268.405 -0.133 20 0 CBADLP C[N@H+]1CCN(C(=O)CCC2CC[NH2+]CC2)[C@H](C[NH3+])C1 ZINC000154530138 351947007 /nfs/dbraw/zinc/94/70/07/351947007.db2.gz SOFZXLKJGCMHPX-CYBMUJFWSA-N 3 2 268.405 -0.133 20 0 CBADLP O=S1(=O)CCC[C@@H]1C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000156700684 351953573 /nfs/dbraw/zinc/95/35/73/351953573.db2.gz XZUWEDDLGCCBGK-NWDGAFQWSA-N 2 2 276.402 -0.390 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000156710081 351953729 /nfs/dbraw/zinc/95/37/29/351953729.db2.gz YXFMRKYNUDCSAZ-FRRDWIJNSA-N 2 2 293.371 -0.004 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000156710081 351953731 /nfs/dbraw/zinc/95/37/31/351953731.db2.gz YXFMRKYNUDCSAZ-FRRDWIJNSA-N 2 2 293.371 -0.004 20 0 CBADLP C[NH+](C)CC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000171384334 352011252 /nfs/dbraw/zinc/01/12/52/352011252.db2.gz VHXKMTQQMBWZIJ-UHFFFAOYSA-N 2 2 292.387 -0.724 20 0 CBADLP CNC(=O)NC(=O)CC[N@@H+]1CC[C@H](OC)C[C@@H]1C[NH3+] ZINC000161181410 351974053 /nfs/dbraw/zinc/97/40/53/351974053.db2.gz YCKSLUFQGDFANG-ZJUUUORDSA-N 2 2 272.349 -0.730 20 0 CBADLP CNC(=O)NC(=O)CC[N@H+]1CC[C@H](OC)C[C@@H]1C[NH3+] ZINC000161181410 351974055 /nfs/dbraw/zinc/97/40/55/351974055.db2.gz YCKSLUFQGDFANG-ZJUUUORDSA-N 2 2 272.349 -0.730 20 0 CBADLP COC1(C(=O)N[C@@H](C)C[NH+]2CCOCC2)CC[NH2+]CC1 ZINC000165045927 351985567 /nfs/dbraw/zinc/98/55/67/351985567.db2.gz BILHKNMPAJEYGQ-LBPRGKRZSA-N 2 2 285.388 -0.408 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000165046358 351985576 /nfs/dbraw/zinc/98/55/76/351985576.db2.gz BZENVMXHGLHJBZ-CMPLNLGQSA-N 2 2 259.325 -0.475 20 0 CBADLP CCC[N@@H+]1CCCN(C(=O)[C@H]2COCC[NH2+]2)CC1 ZINC000166583942 351987924 /nfs/dbraw/zinc/98/79/24/351987924.db2.gz RMNWUPPSUYAKBZ-GFCCVEGCSA-N 2 2 255.362 -0.081 20 0 CBADLP CCC[N@H+]1CCCN(C(=O)[C@H]2COCC[NH2+]2)CC1 ZINC000166583942 351987929 /nfs/dbraw/zinc/98/79/29/351987929.db2.gz RMNWUPPSUYAKBZ-GFCCVEGCSA-N 2 2 255.362 -0.081 20 0 CBADLP COCC[NH2+]CC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000167694540 351989707 /nfs/dbraw/zinc/98/97/07/351989707.db2.gz OIBLDZYCQTUHRS-VXGBXAGGSA-N 2 2 273.377 -0.552 20 0 CBADLP COCC[NH2+]CC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000167694761 351989841 /nfs/dbraw/zinc/98/98/41/351989841.db2.gz OIBLDZYCQTUHRS-NEPJUHHUSA-N 2 2 273.377 -0.552 20 0 CBADLP [NH3+]CC(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000167968495 351990619 /nfs/dbraw/zinc/99/06/19/351990619.db2.gz BKENLXFKTPLLQH-CYBMUJFWSA-N 2 2 263.341 -0.177 20 0 CBADLP CCOCC[N@@H+]1CCN(C(=O)[C@@H]2COCC[NH2+]2)C[C@H]1C ZINC000168035570 351991547 /nfs/dbraw/zinc/99/15/47/351991547.db2.gz QOGGWFYLZLAROW-OLZOCXBDSA-N 2 2 285.388 -0.456 20 0 CBADLP CCOCC[N@H+]1CCN(C(=O)[C@@H]2COCC[NH2+]2)C[C@H]1C ZINC000168035570 351991552 /nfs/dbraw/zinc/99/15/52/351991552.db2.gz QOGGWFYLZLAROW-OLZOCXBDSA-N 2 2 285.388 -0.456 20 0 CBADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000171604634 352013839 /nfs/dbraw/zinc/01/38/39/352013839.db2.gz GZAUIDMIUQPAMN-RYUDHWBXSA-N 2 2 255.362 -0.394 20 0 CBADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000171604634 352013840 /nfs/dbraw/zinc/01/38/40/352013840.db2.gz GZAUIDMIUQPAMN-RYUDHWBXSA-N 2 2 255.362 -0.394 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)CCC(=O)NC)CC1 ZINC000170783990 352002366 /nfs/dbraw/zinc/00/23/66/352002366.db2.gz SHXFOLNAJSIDER-GFCCVEGCSA-N 2 2 284.404 -0.393 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)CCC(=O)NC)CC1 ZINC000170783990 352002368 /nfs/dbraw/zinc/00/23/68/352002368.db2.gz SHXFOLNAJSIDER-GFCCVEGCSA-N 2 2 284.404 -0.393 20 0 CBADLP CC[N@H+](C)C[C@H]1CC[NH+](CC(=O)N2CCNC(=O)C2)C1 ZINC000173905174 352041782 /nfs/dbraw/zinc/04/17/82/352041782.db2.gz FBNMAQLZQMRXNV-GFCCVEGCSA-N 2 2 282.388 -0.782 20 0 CBADLP CC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)N2CCNC(=O)C2)C1 ZINC000173905174 352041786 /nfs/dbraw/zinc/04/17/86/352041786.db2.gz FBNMAQLZQMRXNV-GFCCVEGCSA-N 2 2 282.388 -0.782 20 0 CBADLP CC[NH+](C)C[C@H]1CC[N@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000173905174 352041787 /nfs/dbraw/zinc/04/17/87/352041787.db2.gz FBNMAQLZQMRXNV-GFCCVEGCSA-N 2 2 282.388 -0.782 20 0 CBADLP CC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000173905174 352041790 /nfs/dbraw/zinc/04/17/90/352041790.db2.gz FBNMAQLZQMRXNV-GFCCVEGCSA-N 2 2 282.388 -0.782 20 0 CBADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)NCC(=O)OC)C1 ZINC000173911821 352042193 /nfs/dbraw/zinc/04/21/93/352042193.db2.gz NZBGLSDSIIRTMS-RYUDHWBXSA-N 2 2 285.388 -0.062 20 0 CBADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)NCC(=O)OC)C1 ZINC000173911821 352042197 /nfs/dbraw/zinc/04/21/97/352042197.db2.gz NZBGLSDSIIRTMS-RYUDHWBXSA-N 2 2 285.388 -0.062 20 0 CBADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NCC(=O)OC)C1 ZINC000173911821 352042201 /nfs/dbraw/zinc/04/22/01/352042201.db2.gz NZBGLSDSIIRTMS-RYUDHWBXSA-N 2 2 285.388 -0.062 20 0 CBADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)NCC(=O)OC)C1 ZINC000173911821 352042203 /nfs/dbraw/zinc/04/22/03/352042203.db2.gz NZBGLSDSIIRTMS-RYUDHWBXSA-N 2 2 285.388 -0.062 20 0 CBADLP CC[NH+](CC)C[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC000174217784 352045591 /nfs/dbraw/zinc/04/55/91/352045591.db2.gz JWVGLEBQUFDNPH-JTQLQIEISA-N 2 2 256.350 -0.155 20 0 CBADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC000174217784 352045595 /nfs/dbraw/zinc/04/55/95/352045595.db2.gz JWVGLEBQUFDNPH-JTQLQIEISA-N 2 2 256.350 -0.155 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000174649640 352049473 /nfs/dbraw/zinc/04/94/73/352049473.db2.gz FBRZUHBSTNMHEE-CYBMUJFWSA-N 2 2 285.388 -0.454 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000174649640 352049477 /nfs/dbraw/zinc/04/94/77/352049477.db2.gz FBRZUHBSTNMHEE-CYBMUJFWSA-N 2 2 285.388 -0.454 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000174642197 352049598 /nfs/dbraw/zinc/04/95/98/352049598.db2.gz QHHVNEXUYUPXMR-NEPJUHHUSA-N 2 2 271.361 -0.846 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000174642197 352049601 /nfs/dbraw/zinc/04/96/01/352049601.db2.gz QHHVNEXUYUPXMR-NEPJUHHUSA-N 2 2 271.361 -0.846 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000174642184 352049903 /nfs/dbraw/zinc/04/99/03/352049903.db2.gz QHHVNEXUYUPXMR-RYUDHWBXSA-N 2 2 271.361 -0.846 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000174642184 352049904 /nfs/dbraw/zinc/04/99/04/352049904.db2.gz QHHVNEXUYUPXMR-RYUDHWBXSA-N 2 2 271.361 -0.846 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)C[NH+]1CCOCC1 ZINC000175103359 352053412 /nfs/dbraw/zinc/05/34/12/352053412.db2.gz PPYSUQZQRGCOPW-STQMWFEESA-N 2 2 285.388 -0.599 20 0 CBADLP C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C[NH+]1CCOCC1 ZINC000175103359 352053416 /nfs/dbraw/zinc/05/34/16/352053416.db2.gz PPYSUQZQRGCOPW-STQMWFEESA-N 2 2 285.388 -0.599 20 0 CBADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N(C)CC[NH+](C)C ZINC000176339587 352064254 /nfs/dbraw/zinc/06/42/54/352064254.db2.gz IDTITKYECVKCAD-CYBMUJFWSA-N 2 2 285.436 -0.175 20 0 CBADLP CNC(=O)C1(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC1 ZINC000177140800 352071520 /nfs/dbraw/zinc/07/15/20/352071520.db2.gz MNOKCENJEWRJGF-UHFFFAOYSA-N 2 2 296.415 -0.345 20 0 CBADLP COC[C@@H](O)C[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000171973126 352019222 /nfs/dbraw/zinc/01/92/22/352019222.db2.gz HAKPBAFIOZQKAO-ZDUSSCGKSA-N 2 2 285.388 -0.766 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)NCCCn2cc[nH+]c2)C1 ZINC000173600203 352039276 /nfs/dbraw/zinc/03/92/76/352039276.db2.gz YUMULHBMSPZOKZ-NSHDSACASA-N 2 2 252.318 -0.280 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)NCCCn2cc[nH+]c2)C1 ZINC000173600203 352039277 /nfs/dbraw/zinc/03/92/77/352039277.db2.gz YUMULHBMSPZOKZ-NSHDSACASA-N 2 2 252.318 -0.280 20 0 CBADLP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000186899545 352133961 /nfs/dbraw/zinc/13/39/61/352133961.db2.gz QJXJRDOUZMQBOE-OLZOCXBDSA-N 2 2 299.415 -0.379 20 0 CBADLP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000186899545 352133966 /nfs/dbraw/zinc/13/39/66/352133966.db2.gz QJXJRDOUZMQBOE-OLZOCXBDSA-N 2 2 299.415 -0.379 20 0 CBADLP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000186899545 352133968 /nfs/dbraw/zinc/13/39/68/352133968.db2.gz QJXJRDOUZMQBOE-OLZOCXBDSA-N 2 2 299.415 -0.379 20 0 CBADLP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000186899545 352133974 /nfs/dbraw/zinc/13/39/74/352133974.db2.gz QJXJRDOUZMQBOE-OLZOCXBDSA-N 2 2 299.415 -0.379 20 0 CBADLP CC1(C)C[N@H+](CCNC(=O)[C@@H]2CC[NH2+]C2)CCO1 ZINC000178745051 352082520 /nfs/dbraw/zinc/08/25/20/352082520.db2.gz PGLMKHLLNVBRSO-LLVKDONJSA-N 2 2 255.362 -0.177 20 0 CBADLP CC1(C)C[N@@H+](CCNC(=O)[C@@H]2CC[NH2+]C2)CCO1 ZINC000178745051 352082521 /nfs/dbraw/zinc/08/25/21/352082521.db2.gz PGLMKHLLNVBRSO-LLVKDONJSA-N 2 2 255.362 -0.177 20 0 CBADLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000178764117 352083367 /nfs/dbraw/zinc/08/33/67/352083367.db2.gz KHPDGABITMITJQ-ZDUSSCGKSA-N 2 2 273.352 -0.085 20 0 CBADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000178764117 352083368 /nfs/dbraw/zinc/08/33/68/352083368.db2.gz KHPDGABITMITJQ-ZDUSSCGKSA-N 2 2 273.352 -0.085 20 0 CBADLP O=C([C@@H]1COCC[NH2+]1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178844466 352083566 /nfs/dbraw/zinc/08/35/66/352083566.db2.gz QOWHQDQRNFIVFM-STQMWFEESA-N 2 2 283.372 -0.845 20 0 CBADLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@H]1COCC[NH2+]1 ZINC000178762718 352083974 /nfs/dbraw/zinc/08/39/74/352083974.db2.gz GMYCTHJXHICVKF-LLVKDONJSA-N 2 2 271.361 -0.798 20 0 CBADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@H]1COCC[NH2+]1 ZINC000178762718 352083975 /nfs/dbraw/zinc/08/39/75/352083975.db2.gz GMYCTHJXHICVKF-LLVKDONJSA-N 2 2 271.361 -0.798 20 0 CBADLP C[C@H](O)[C@@H]1CCCC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000180484495 352094981 /nfs/dbraw/zinc/09/49/81/352094981.db2.gz LZNSEQNNXUAMBW-STQMWFEESA-N 2 2 269.389 -0.004 20 0 CBADLP C[C@H](O)[C@@H]1CCCC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000180484495 352094984 /nfs/dbraw/zinc/09/49/84/352094984.db2.gz LZNSEQNNXUAMBW-STQMWFEESA-N 2 2 269.389 -0.004 20 0 CBADLP COC[C@@H](C)[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181026367 352097546 /nfs/dbraw/zinc/09/75/46/352097546.db2.gz QZQHGNKMRICMFX-OLZOCXBDSA-N 2 2 285.388 -0.456 20 0 CBADLP CCOC[C@@H](C)[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181046072 352097711 /nfs/dbraw/zinc/09/77/11/352097711.db2.gz YIRWLPYFSDFRDQ-KGLIPLIRSA-N 2 2 299.415 -0.066 20 0 CBADLP C[N@H+](CCCn1cc[nH+]c1)Cc1nc(N)nc(N)n1 ZINC000181083207 352098607 /nfs/dbraw/zinc/09/86/07/352098607.db2.gz ZZRAUKLJZLYEPJ-UHFFFAOYSA-N 2 2 262.321 -0.245 20 0 CBADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1nc(N)nc(N)n1 ZINC000181083207 352098608 /nfs/dbraw/zinc/09/86/08/352098608.db2.gz ZZRAUKLJZLYEPJ-UHFFFAOYSA-N 2 2 262.321 -0.245 20 0 CBADLP OCC[NH+](CC(O)C[N@@H+](CCO)C1CC1)C1CC1 ZINC000181780443 352101240 /nfs/dbraw/zinc/10/12/40/352101240.db2.gz GRJPHKIVUWSTBB-UHFFFAOYSA-N 2 2 258.362 -0.739 20 0 CBADLP OCC[NH+](CC(O)C[N@H+](CCO)C1CC1)C1CC1 ZINC000181780443 352101244 /nfs/dbraw/zinc/10/12/44/352101244.db2.gz GRJPHKIVUWSTBB-UHFFFAOYSA-N 2 2 258.362 -0.739 20 0 CBADLP OC(C[NH+]1CCC[C@@H](O)C1)C[N@@H+]1CCC[C@H](O)C1 ZINC000181774477 352101377 /nfs/dbraw/zinc/10/13/77/352101377.db2.gz BYBYNOZGNMRJCA-FUNVUKJBSA-N 2 2 258.362 -0.739 20 0 CBADLP OC(C[NH+]1CCC[C@@H](O)C1)C[N@H+]1CCC[C@H](O)C1 ZINC000181774477 352101379 /nfs/dbraw/zinc/10/13/79/352101379.db2.gz BYBYNOZGNMRJCA-FUNVUKJBSA-N 2 2 258.362 -0.739 20 0 CBADLP OC(C[NH+]1CCC[C@H](O)C1)C[N@@H+]1CCC[C@@H](O)C1 ZINC000181774477 352101383 /nfs/dbraw/zinc/10/13/83/352101383.db2.gz BYBYNOZGNMRJCA-FUNVUKJBSA-N 2 2 258.362 -0.739 20 0 CBADLP OC(C[NH+]1CCC[C@H](O)C1)C[N@H+]1CCC[C@@H](O)C1 ZINC000181774477 352101388 /nfs/dbraw/zinc/10/13/88/352101388.db2.gz BYBYNOZGNMRJCA-FUNVUKJBSA-N 2 2 258.362 -0.739 20 0 CBADLP CNS(=O)(=O)CC[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000187183437 352136019 /nfs/dbraw/zinc/13/60/19/352136019.db2.gz VKAQDGLRRFLJOA-UHFFFAOYSA-N 2 2 263.407 -0.002 20 0 CBADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000188277111 352150786 /nfs/dbraw/zinc/15/07/86/352150786.db2.gz LOVWVHLOLLZJDK-UONOGXRCSA-N 2 2 298.431 -0.635 20 0 CBADLP C[C@@H](CNC(=O)c1[nH]nc2c1C[NH2+]CC2)[NH+]1CCOCC1 ZINC000188720420 352156802 /nfs/dbraw/zinc/15/68/02/352156802.db2.gz DZEYFTCZMILFJE-JTQLQIEISA-N 2 2 293.371 -0.494 20 0 CBADLP C[C@@H](NC(=O)[C@H]1C[C@H](F)C[NH2+]1)[C@H](C)[NH+]1CCOCC1 ZINC000188759628 352158762 /nfs/dbraw/zinc/15/87/62/352158762.db2.gz GSLFDVTUNGCKOE-NOOOWODRSA-N 2 2 273.352 -0.088 20 0 CBADLP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@@H](C)c3nnnn3C)C2)CC1 ZINC000189239513 352166041 /nfs/dbraw/zinc/16/60/41/352166041.db2.gz SVQWOMWQXKKSAN-STQMWFEESA-N 2 2 293.419 -0.017 20 0 CBADLP CC[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C)c3nnnn3C)C2)CC1 ZINC000189239513 352166043 /nfs/dbraw/zinc/16/60/43/352166043.db2.gz SVQWOMWQXKKSAN-STQMWFEESA-N 2 2 293.419 -0.017 20 0 CBADLP C[C@@H](O)C[N@@H+]1CCN(CC(=O)N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000189551099 352171212 /nfs/dbraw/zinc/17/12/12/352171212.db2.gz RIZAFHDZSSEHIP-ZIAGYGMSSA-N 2 2 298.431 -0.853 20 0 CBADLP C[C@@H](O)C[N@H+]1CCN(CC(=O)N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000189551099 352171213 /nfs/dbraw/zinc/17/12/13/352171213.db2.gz RIZAFHDZSSEHIP-ZIAGYGMSSA-N 2 2 298.431 -0.853 20 0 CBADLP CC[C@@H](C(=O)N1CC[NH+](C[C@H](C)O)CC1)[NH+](C)C ZINC000189733137 352173907 /nfs/dbraw/zinc/17/39/07/352173907.db2.gz OXTUFGDTICIION-RYUDHWBXSA-N 2 2 257.378 -0.148 20 0 CBADLP CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000187902001 352143922 /nfs/dbraw/zinc/14/39/22/352143922.db2.gz CSRKSSWYPHQOGQ-MJBXVCDLSA-N 2 2 299.415 -0.164 20 0 CBADLP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)C1 ZINC000187948704 352143937 /nfs/dbraw/zinc/14/39/37/352143937.db2.gz STKMIHCYTVUZQQ-MROQNXINSA-N 2 2 285.388 -0.411 20 0 CBADLP CO[C@@H]1C[NH2+][C@@H](C(=O)NCC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000187936329 352143945 /nfs/dbraw/zinc/14/39/45/352143945.db2.gz IBIZUNJSSFJPOY-NWDGAFQWSA-N 2 2 285.388 -0.410 20 0 CBADLP CO[C@@H]1C[NH2+][C@@H](C(=O)NCC[N@H+]2CCOC(C)(C)C2)C1 ZINC000187936329 352143948 /nfs/dbraw/zinc/14/39/48/352143948.db2.gz IBIZUNJSSFJPOY-NWDGAFQWSA-N 2 2 285.388 -0.410 20 0 CBADLP CC[N@H+](CC(N)=O)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000188071331 352146128 /nfs/dbraw/zinc/14/61/28/352146128.db2.gz RATGGIFTTHTIIC-UHFFFAOYSA-N 2 2 292.387 -0.464 20 0 CBADLP CC[N@@H+](CC(N)=O)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000188071331 352146132 /nfs/dbraw/zinc/14/61/32/352146132.db2.gz RATGGIFTTHTIIC-UHFFFAOYSA-N 2 2 292.387 -0.464 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+][C@H](CO)C(C)(C)C)CC1 ZINC000193115507 352202449 /nfs/dbraw/zinc/20/24/49/352202449.db2.gz UIFYQQGGZDVSIL-LLVKDONJSA-N 2 2 257.378 -0.243 20 0 CBADLP CCS(=O)(=O)NCCC[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193632025 352207407 /nfs/dbraw/zinc/20/74/07/352207407.db2.gz HGMCPGOPBANEGD-TXEJJXNPSA-N 2 2 275.418 -0.191 20 0 CBADLP CCS(=O)(=O)NCCC[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193632025 352207411 /nfs/dbraw/zinc/20/74/11/352207411.db2.gz HGMCPGOPBANEGD-TXEJJXNPSA-N 2 2 275.418 -0.191 20 0 CBADLP CCS(=O)(=O)NCCC[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193632025 352207414 /nfs/dbraw/zinc/20/74/14/352207414.db2.gz HGMCPGOPBANEGD-TXEJJXNPSA-N 2 2 275.418 -0.191 20 0 CBADLP CCS(=O)(=O)NCCC[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193632025 352207416 /nfs/dbraw/zinc/20/74/16/352207416.db2.gz HGMCPGOPBANEGD-TXEJJXNPSA-N 2 2 275.418 -0.191 20 0 CBADLP C[C@H](CNC(=O)[C@H]1CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000195156243 352222540 /nfs/dbraw/zinc/22/25/40/352222540.db2.gz GSOIZCUXRNFQCH-NEPJUHHUSA-N 2 2 255.362 -0.177 20 0 CBADLP CCCNC(=O)NC(=O)C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000227069169 352255701 /nfs/dbraw/zinc/25/57/01/352255701.db2.gz CVYQSOGAIWRKNN-UWVGGRQHSA-N 2 2 256.350 -0.109 20 0 CBADLP CCCNC(=O)NC(=O)C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000227069169 352255704 /nfs/dbraw/zinc/25/57/04/352255704.db2.gz CVYQSOGAIWRKNN-UWVGGRQHSA-N 2 2 256.350 -0.109 20 0 CBADLP CO[C@@H](C[NH3+])C(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000227367346 352257273 /nfs/dbraw/zinc/25/72/73/352257273.db2.gz NSUCINSYYZYODS-ZDUSSCGKSA-N 2 2 278.356 -0.301 20 0 CBADLP O=C([C@H]1COCC[NH2+]1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000227784395 352258988 /nfs/dbraw/zinc/25/89/88/352258988.db2.gz WWSSIUXZLSXKLN-VXGBXAGGSA-N 2 2 253.346 -0.329 20 0 CBADLP O=C([C@H]1COCC[NH2+]1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000227784395 352258993 /nfs/dbraw/zinc/25/89/93/352258993.db2.gz WWSSIUXZLSXKLN-VXGBXAGGSA-N 2 2 253.346 -0.329 20 0 CBADLP CNS(=O)(=O)CC[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000230981039 352274878 /nfs/dbraw/zinc/27/48/78/352274878.db2.gz FIIHBCHJURMOHJ-UHFFFAOYSA-N 2 2 275.378 -0.875 20 0 CBADLP C[N@@H+](CC(=O)N1CCOCC1)C[C@@H]1CCC[NH2+]C1 ZINC000226436125 352253212 /nfs/dbraw/zinc/25/32/12/352253212.db2.gz ZMZGJVLLVDVWKC-GFCCVEGCSA-N 2 2 255.362 -0.223 20 0 CBADLP C[N@H+](CC(=O)N1CCOCC1)C[C@@H]1CCC[NH2+]C1 ZINC000226436125 352253217 /nfs/dbraw/zinc/25/32/17/352253217.db2.gz ZMZGJVLLVDVWKC-GFCCVEGCSA-N 2 2 255.362 -0.223 20 0 CBADLP C[N@@H+]1CCN(C(=O)CCOCC(F)F)[C@@H](C[NH3+])C1 ZINC000232337787 352280079 /nfs/dbraw/zinc/28/00/79/352280079.db2.gz NOOKNFKAWXNDLX-VIFPVBQESA-N 2 2 265.304 -0.241 20 0 CBADLP C[N@H+]1CCN(C(=O)CCOCC(F)F)[C@@H](C[NH3+])C1 ZINC000232337787 352280082 /nfs/dbraw/zinc/28/00/82/352280082.db2.gz NOOKNFKAWXNDLX-VIFPVBQESA-N 2 2 265.304 -0.241 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000245417055 352318977 /nfs/dbraw/zinc/31/89/77/352318977.db2.gz FRTTXWDNIJYTOM-KBPBESRZSA-N 2 2 297.399 -0.502 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000245417055 352318980 /nfs/dbraw/zinc/31/89/80/352318980.db2.gz FRTTXWDNIJYTOM-KBPBESRZSA-N 2 2 297.399 -0.502 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCO[C@@H]2C2CC2)CC1 ZINC000234380470 352282656 /nfs/dbraw/zinc/28/26/56/352282656.db2.gz PHORTMBMPSUAOJ-TZMCWYRMSA-N 2 2 267.373 -0.083 20 0 CBADLP COC[C@@H](C)OC[C@@H](O)C[NH2+]CCn1cc[nH+]c1 ZINC000234772791 352284412 /nfs/dbraw/zinc/28/44/12/352284412.db2.gz NKLQEFPVQHOCEQ-NEPJUHHUSA-N 2 2 257.334 -0.115 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000236577016 352291343 /nfs/dbraw/zinc/29/13/43/352291343.db2.gz BMHUZBDHTJONOI-LBPRGKRZSA-N 2 2 268.361 -0.981 20 0 CBADLP CC1CC[NH+](CCCNC(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000236701169 352292172 /nfs/dbraw/zinc/29/21/72/352292172.db2.gz SPCUHQBVFCWZQZ-UHFFFAOYSA-N 2 2 296.415 -0.344 20 0 CBADLP CCC([NH3+])(CC)CNC(=O)CN1CC[NH2+]CC1=O ZINC000236759760 352292722 /nfs/dbraw/zinc/29/27/22/352292722.db2.gz YHKNWSJEQRQSMJ-UHFFFAOYSA-N 2 2 256.350 -0.948 20 0 CBADLP CC(C)OCC[NH+]1CCN(C(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC000236806206 352294388 /nfs/dbraw/zinc/29/43/88/352294388.db2.gz XNTXDVPXCLRLQW-ZDUSSCGKSA-N 2 2 285.388 -0.456 20 0 CBADLP CC[C@@H]1CN(C(=O)[C@H]2C[NH+](C)CCO2)CC[N@@H+]1C[C@@H](C)O ZINC000245422432 352320826 /nfs/dbraw/zinc/32/08/26/352320826.db2.gz ITPKGALIFUOIFQ-MGPQQGTHSA-N 2 2 299.415 -0.379 20 0 CBADLP CC[C@@H]1CN(C(=O)[C@H]2C[NH+](C)CCO2)CC[N@H+]1C[C@@H](C)O ZINC000245422432 352320828 /nfs/dbraw/zinc/32/08/28/352320828.db2.gz ITPKGALIFUOIFQ-MGPQQGTHSA-N 2 2 299.415 -0.379 20 0 CBADLP CC[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)CC[NH+]1C[C@@H](C)O ZINC000245422432 352320829 /nfs/dbraw/zinc/32/08/29/352320829.db2.gz ITPKGALIFUOIFQ-MGPQQGTHSA-N 2 2 299.415 -0.379 20 0 CBADLP CC[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC[NH+]1C[C@@H](C)O ZINC000245422432 352320831 /nfs/dbraw/zinc/32/08/31/352320831.db2.gz ITPKGALIFUOIFQ-MGPQQGTHSA-N 2 2 299.415 -0.379 20 0 CBADLP C[NH2+]CCCC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000237138394 352299339 /nfs/dbraw/zinc/29/93/39/352299339.db2.gz DSUMYTIQFQCUMQ-UHFFFAOYSA-N 2 2 296.415 -0.247 20 0 CBADLP COCC[NH2+]CC(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000237188178 352301268 /nfs/dbraw/zinc/30/12/68/352301268.db2.gz PFTXOPMDRVBRCO-LLVKDONJSA-N 2 2 254.334 -0.129 20 0 CBADLP C[C@@H](C[NH3+])CNC(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000237333226 352303179 /nfs/dbraw/zinc/30/31/79/352303179.db2.gz JNFSARRPFQYNMH-ZDUSSCGKSA-N 2 2 291.399 -0.085 20 0 CBADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000237432897 352304521 /nfs/dbraw/zinc/30/45/21/352304521.db2.gz PLJYZZXJWNTFBH-DGCLKSJQSA-N 2 2 294.399 -0.450 20 0 CBADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000237425680 352304792 /nfs/dbraw/zinc/30/47/92/352304792.db2.gz PLJYZZXJWNTFBH-YPMHNXCESA-N 2 2 294.399 -0.450 20 0 CBADLP C[C@@H]([NH3+])C(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000237452271 352305044 /nfs/dbraw/zinc/30/50/44/352305044.db2.gz OWBKMYQXJGQJRI-ZJUUUORDSA-N 2 2 268.361 -0.855 20 0 CBADLP C[C@H](CC[NH+]1CCOCC1)NC(=O)[C@H]1CSC[NH2+]1 ZINC000237449998 352305211 /nfs/dbraw/zinc/30/52/11/352305211.db2.gz JFZNPKHWJZKPAG-GHMZBOCLSA-N 2 2 273.402 -0.124 20 0 CBADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)C2([NH3+])CC2)CC1 ZINC000237485846 352305873 /nfs/dbraw/zinc/30/58/73/352305873.db2.gz HQBSFGXZAOHJCY-LBPRGKRZSA-N 2 2 294.399 -0.367 20 0 CBADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)CC[NH3+])CC1 ZINC000237472666 352306036 /nfs/dbraw/zinc/30/60/36/352306036.db2.gz SEPNQPOHAQKNGV-JTQLQIEISA-N 2 2 268.361 -0.854 20 0 CBADLP C[C@H](CNC(=O)[C@H]1CSC[NH2+]1)[NH+]1CCOCC1 ZINC000237468512 352306118 /nfs/dbraw/zinc/30/61/18/352306118.db2.gz HNHSXRJPCSDROJ-NXEZZACHSA-N 2 2 259.375 -0.514 20 0 CBADLP C[C@H]([C@H](C)NC(=O)[C@H]1CC[NH2+]C1)[NH+]1CCOCC1 ZINC000237526883 352306840 /nfs/dbraw/zinc/30/68/40/352306840.db2.gz AXLSTMUZNZDZDD-TUAOUCFPSA-N 2 2 255.362 -0.179 20 0 CBADLP C[C@@H]1C[N@@H+](CCCNC(=O)[C@@H]2COCC[NH2+]2)C[C@H](C)O1 ZINC000237670995 352308550 /nfs/dbraw/zinc/30/85/50/352308550.db2.gz PTWLFCABFQEFNI-XQQFMLRXSA-N 2 2 285.388 -0.410 20 0 CBADLP C[C@@H]1C[N@H+](CCCNC(=O)[C@@H]2COCC[NH2+]2)C[C@H](C)O1 ZINC000237670995 352308551 /nfs/dbraw/zinc/30/85/51/352308551.db2.gz PTWLFCABFQEFNI-XQQFMLRXSA-N 2 2 285.388 -0.410 20 0 CBADLP O=C(C[NH2+]C[C@H]1CCCO1)NCCn1cc[nH+]c1 ZINC000237930818 352312274 /nfs/dbraw/zinc/31/22/74/352312274.db2.gz DLEIEDBOHIKUKI-LLVKDONJSA-N 2 2 252.318 -0.232 20 0 CBADLP CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000245468237 352321268 /nfs/dbraw/zinc/32/12/68/352321268.db2.gz SUYGBJPDGAXQBI-NWDGAFQWSA-N 2 2 255.362 -0.083 20 0 CBADLP CC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000245468237 352321274 /nfs/dbraw/zinc/32/12/74/352321274.db2.gz SUYGBJPDGAXQBI-NWDGAFQWSA-N 2 2 255.362 -0.083 20 0 CBADLP CC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000245468237 352321278 /nfs/dbraw/zinc/32/12/78/352321278.db2.gz SUYGBJPDGAXQBI-NWDGAFQWSA-N 2 2 255.362 -0.083 20 0 CBADLP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H]2CSC[NH2+]2)C[C@@H]1C ZINC000246501538 352333348 /nfs/dbraw/zinc/33/33/48/352333348.db2.gz PWHCTPYAFKEBOY-GARJFASQSA-N 2 2 273.402 -0.438 20 0 CBADLP C[C@H](O)C[N@H+]1CCN(C(=O)[C@H]2CSC[NH2+]2)C[C@@H]1C ZINC000246501538 352333351 /nfs/dbraw/zinc/33/33/51/352333351.db2.gz PWHCTPYAFKEBOY-GARJFASQSA-N 2 2 273.402 -0.438 20 0 CBADLP CC[C@@H]1CN(C(=O)[C@H]2CSC[NH2+]2)CC[N@@H+]1C[C@H](C)O ZINC000246504801 352333477 /nfs/dbraw/zinc/33/34/77/352333477.db2.gz QCZJSUJNICKFRI-QJPTWQEYSA-N 2 2 287.429 -0.048 20 0 CBADLP CC[C@@H]1CN(C(=O)[C@H]2CSC[NH2+]2)CC[N@H+]1C[C@H](C)O ZINC000246504801 352333482 /nfs/dbraw/zinc/33/34/82/352333482.db2.gz QCZJSUJNICKFRI-QJPTWQEYSA-N 2 2 287.429 -0.048 20 0 CBADLP C[C@@H]1CN(C(=O)[C@H]2CSC[NH2+]2)C[C@H]1[NH+]1CCOCC1 ZINC000246531913 352335002 /nfs/dbraw/zinc/33/50/02/352335002.db2.gz RXMAFQJRQJIFFX-IJLUTSLNSA-N 2 2 285.413 -0.172 20 0 CBADLP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(=O)NC)CC[C@H]1[NH3+] ZINC000251670613 352375010 /nfs/dbraw/zinc/37/50/10/352375010.db2.gz HLZIYDUVKKHVLG-OPRDCNLKSA-N 2 2 256.350 -0.110 20 0 CBADLP CC[C@@H]1C[N@H+]([C@H](C)C(=O)NC(=O)NC)CC[C@H]1[NH3+] ZINC000251670613 352375012 /nfs/dbraw/zinc/37/50/12/352375012.db2.gz HLZIYDUVKKHVLG-OPRDCNLKSA-N 2 2 256.350 -0.110 20 0 CBADLP C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCCCC[NH2+]2)C1 ZINC000252541326 352378391 /nfs/dbraw/zinc/37/83/91/352378391.db2.gz DRMIVZOUEYEJMG-NWDGAFQWSA-N 2 2 255.362 -0.035 20 0 CBADLP C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCCCC[NH2+]2)C1 ZINC000252541326 352378393 /nfs/dbraw/zinc/37/83/93/352378393.db2.gz DRMIVZOUEYEJMG-NWDGAFQWSA-N 2 2 255.362 -0.035 20 0 CBADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261572127 352387854 /nfs/dbraw/zinc/38/78/54/352387854.db2.gz LLIPWSSAYYTYNY-CABZTGNLSA-N 2 2 256.350 -0.109 20 0 CBADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261572127 352387858 /nfs/dbraw/zinc/38/78/58/352387858.db2.gz LLIPWSSAYYTYNY-CABZTGNLSA-N 2 2 256.350 -0.109 20 0 CBADLP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2csnn2)C1 ZINC000261563919 352388327 /nfs/dbraw/zinc/38/83/27/352388327.db2.gz HBAWTWNWIBMNAU-SECBINFHSA-N 2 2 269.374 -0.175 20 0 CBADLP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2csnn2)C1 ZINC000261563919 352388330 /nfs/dbraw/zinc/38/83/30/352388330.db2.gz HBAWTWNWIBMNAU-SECBINFHSA-N 2 2 269.374 -0.175 20 0 CBADLP O=C1CCC(=O)N1CC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261572505 352389038 /nfs/dbraw/zinc/38/90/38/352389038.db2.gz LQNPXKCYKXTXCI-WDEREUQCSA-N 2 2 251.330 -0.181 20 0 CBADLP O=C1CCC(=O)N1CC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261572505 352389041 /nfs/dbraw/zinc/38/90/41/352389041.db2.gz LQNPXKCYKXTXCI-WDEREUQCSA-N 2 2 251.330 -0.181 20 0 CBADLP O=C(C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)N1CCOCC1 ZINC000261590986 352389452 /nfs/dbraw/zinc/38/94/52/352389452.db2.gz XGVPJQAUHMSMQL-NEPJUHHUSA-N 2 2 253.346 -0.471 20 0 CBADLP O=C(C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)N1CCOCC1 ZINC000261590986 352389456 /nfs/dbraw/zinc/38/94/56/352389456.db2.gz XGVPJQAUHMSMQL-NEPJUHHUSA-N 2 2 253.346 -0.471 20 0 CBADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261586055 352389678 /nfs/dbraw/zinc/38/96/78/352389678.db2.gz IRHNBLJSMQHUBP-DCAQKATOSA-N 2 2 268.361 -0.096 20 0 CBADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261586055 352389682 /nfs/dbraw/zinc/38/96/82/352389682.db2.gz IRHNBLJSMQHUBP-DCAQKATOSA-N 2 2 268.361 -0.096 20 0 CBADLP O=C(C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1)NC(=O)NC1CC1 ZINC000261586754 352389901 /nfs/dbraw/zinc/38/99/01/352389901.db2.gz JBKSPHXJANKUDI-ZDUSSCGKSA-N 2 2 266.345 -0.340 20 0 CBADLP O=C(C[N@H+]1CC[C@]2(CC[NH2+]C2)C1)NC(=O)NC1CC1 ZINC000261586754 352389904 /nfs/dbraw/zinc/38/99/04/352389904.db2.gz JBKSPHXJANKUDI-ZDUSSCGKSA-N 2 2 266.345 -0.340 20 0 CBADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261589869 352390025 /nfs/dbraw/zinc/39/00/25/352390025.db2.gz LBIWKGCSIRMVCK-AXFHLTTASA-N 2 2 268.361 -0.238 20 0 CBADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261589869 352390027 /nfs/dbraw/zinc/39/00/27/352390027.db2.gz LBIWKGCSIRMVCK-AXFHLTTASA-N 2 2 268.361 -0.238 20 0 CBADLP C[C@H]([NH3+])CC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000261672816 352392899 /nfs/dbraw/zinc/39/28/99/352392899.db2.gz AUBWZYBJGBYTAM-VIFPVBQESA-N 2 2 256.350 -0.868 20 0 CBADLP C[C@H]([NH3+])CC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000261710063 352393719 /nfs/dbraw/zinc/39/37/19/352393719.db2.gz DJBSPEJFCXNYQK-NSHDSACASA-N 2 2 265.361 -0.198 20 0 CBADLP C[C@@H](NC(=O)[C@@H]1CC[C@H](C[NH3+])O1)[C@H](C)[NH+]1CCOCC1 ZINC000261778478 352396718 /nfs/dbraw/zinc/39/67/18/352396718.db2.gz MVTRFFGHXFHNAO-XQHKEYJVSA-N 2 2 285.388 -0.282 20 0 CBADLP CC[C@@H]1CN(C(=O)[C@H]([NH3+])COC)C[C@H]1[NH+]1CCOCC1 ZINC000262212751 352410041 /nfs/dbraw/zinc/41/00/41/352410041.db2.gz FBGKORFKOCMJJH-JHJVBQTASA-N 2 2 285.388 -0.471 20 0 CBADLP C[C@H]1CN(C(=O)C2C[NH2+]C2)C[C@@H]1[NH+]1CCOCC1 ZINC000262240988 352412342 /nfs/dbraw/zinc/41/23/42/352412342.db2.gz NYMRFWYIOWEVFC-JQWIXIFHSA-N 2 2 253.346 -0.615 20 0 CBADLP C[NH2+]CCC(=O)N1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000262316500 352415593 /nfs/dbraw/zinc/41/55/93/352415593.db2.gz DOFBISVZWXNWBR-UHFFFAOYSA-N 2 2 296.415 -0.247 20 0 CBADLP C[C@@H](C[NH3+])C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000262412837 352421252 /nfs/dbraw/zinc/42/12/52/352421252.db2.gz QSCBSPQJFYSKQS-WCQYABFASA-N 2 2 287.429 -0.095 20 0 CBADLP C[C@H](C[NH3+])C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000262435753 352421597 /nfs/dbraw/zinc/42/15/97/352421597.db2.gz UJMXKIDGSHVULL-VXGBXAGGSA-N 2 2 255.362 -0.096 20 0 CBADLP COCC[NH+]1CCN(C(=O)C2(COC)CC[NH2+]CC2)CC1 ZINC000262422432 352421711 /nfs/dbraw/zinc/42/17/11/352421711.db2.gz VFAXVXJONHBZJJ-UHFFFAOYSA-N 2 2 299.415 -0.207 20 0 CBADLP C[C@H](C[NH3+])C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000262463565 352422085 /nfs/dbraw/zinc/42/20/85/352422085.db2.gz XNGYYOSQUDTGKN-LLVKDONJSA-N 3 2 256.394 -0.277 20 0 CBADLP C[NH2+][C@@H](C(=O)NCC[N@@H+]1CCOC[C@H]1C)c1cnn(C)c1 ZINC000262457389 352422243 /nfs/dbraw/zinc/42/22/43/352422243.db2.gz WUILMDVYEPFPGP-DGCLKSJQSA-N 2 2 295.387 -0.483 20 0 CBADLP C[NH2+][C@@H](C(=O)NCC[N@H+]1CCOC[C@H]1C)c1cnn(C)c1 ZINC000262457389 352422246 /nfs/dbraw/zinc/42/22/46/352422246.db2.gz WUILMDVYEPFPGP-DGCLKSJQSA-N 2 2 295.387 -0.483 20 0 CBADLP C[NH2+][C@@H](C(=O)NCC[N@@H+]1CCOC[C@@H]1C)c1cnn(C)c1 ZINC000262457391 352422296 /nfs/dbraw/zinc/42/22/96/352422296.db2.gz WUILMDVYEPFPGP-WCQYABFASA-N 2 2 295.387 -0.483 20 0 CBADLP C[NH2+][C@@H](C(=O)NCC[N@H+]1CCOC[C@@H]1C)c1cnn(C)c1 ZINC000262457391 352422299 /nfs/dbraw/zinc/42/22/99/352422299.db2.gz WUILMDVYEPFPGP-WCQYABFASA-N 2 2 295.387 -0.483 20 0 CBADLP CN(C)c1[nH+]cc(CNC(=O)C[C@H]2COCC[NH2+]2)n1C ZINC000262469158 352423327 /nfs/dbraw/zinc/42/33/27/352423327.db2.gz YCVUBQNJEFOXIB-JTQLQIEISA-N 2 2 281.360 -0.519 20 0 CBADLP C[NH2+]CCC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000262575777 352426668 /nfs/dbraw/zinc/42/66/68/352426668.db2.gz SYZOUPISTUYUKU-NSHDSACASA-N 2 2 282.388 -0.593 20 0 CBADLP O=C([C@@H]1COCC[NH2+]1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000262663470 352430012 /nfs/dbraw/zinc/43/00/12/352430012.db2.gz HJYWVTPZUDMDHQ-AWEZNQCLSA-N 2 2 297.399 -0.454 20 0 CBADLP O=C([C@H]1COCC[NH2+]1)N1CC[NH+](C2CCOCC2)CC1 ZINC000262675601 352430373 /nfs/dbraw/zinc/43/03/73/352430373.db2.gz RVEKZEOPHPBBAF-CYBMUJFWSA-N 2 2 283.372 -0.702 20 0 CBADLP CC(C)([NH3+])C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000262663157 352430528 /nfs/dbraw/zinc/43/05/28/352430528.db2.gz ZYNMXQAXIHWMDT-UHFFFAOYSA-N 2 2 292.387 -0.548 20 0 CBADLP [NH3+]CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000263066511 352437942 /nfs/dbraw/zinc/43/79/42/352437942.db2.gz WABZTOXCRUVUPB-RYUDHWBXSA-N 3 2 254.378 -0.475 20 0 CBADLP [NH3+]CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000263066511 352437945 /nfs/dbraw/zinc/43/79/45/352437945.db2.gz WABZTOXCRUVUPB-RYUDHWBXSA-N 3 2 254.378 -0.475 20 0 CBADLP C[NH2+][C@@H]1CCC[N@H+](Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC000261953944 352401842 /nfs/dbraw/zinc/40/18/42/352401842.db2.gz GIZWCTSWCMVDGE-LLVKDONJSA-N 2 2 266.345 -0.732 20 0 CBADLP C[NH2+][C@@H]1CCC[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC000261953944 352401846 /nfs/dbraw/zinc/40/18/46/352401846.db2.gz GIZWCTSWCMVDGE-LLVKDONJSA-N 2 2 266.345 -0.732 20 0 CBADLP C[C@@]1(CN2CC[NH+](CC(=O)NC3CC3)CC2)CC[NH2+]C1 ZINC000262059145 352405156 /nfs/dbraw/zinc/40/51/56/352405156.db2.gz QYTBZOJVHWNMCY-OAHLLOKOSA-N 2 2 280.416 -0.118 20 0 CBADLP C[C@@]1(C[NH+]2CCN(CC(=O)NC3CC3)CC2)CC[NH2+]C1 ZINC000262059145 352405159 /nfs/dbraw/zinc/40/51/59/352405159.db2.gz QYTBZOJVHWNMCY-OAHLLOKOSA-N 2 2 280.416 -0.118 20 0 CBADLP CN(CC[NH+](C)C)c1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000274882381 352547361 /nfs/dbraw/zinc/54/73/61/352547361.db2.gz HSYOYSSLUVDBJP-UHFFFAOYSA-N 2 2 292.387 -0.247 20 0 CBADLP Cn1cc[nH+]c1CNC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000286714558 352648985 /nfs/dbraw/zinc/64/89/85/352648985.db2.gz DUBMZQUVLFJDLI-LLVKDONJSA-N 2 2 293.371 -0.411 20 0 CBADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCCn2cc[nH+]c2)[C@@H](C)C1 ZINC000286989027 352651939 /nfs/dbraw/zinc/65/19/39/352651939.db2.gz FUNYXIFGSQKINI-QWHCGFSZSA-N 2 2 295.387 -0.020 20 0 CBADLP C[C@@H](O)C[N@H+]1CCN(C(=O)NCCn2cc[nH+]c2)[C@@H](C)C1 ZINC000286989027 352651941 /nfs/dbraw/zinc/65/19/41/352651941.db2.gz FUNYXIFGSQKINI-QWHCGFSZSA-N 2 2 295.387 -0.020 20 0 CBADLP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NCCn1cc[nH+]c1 ZINC000283208837 352619956 /nfs/dbraw/zinc/61/99/56/352619956.db2.gz AGVYARMOWPUVSR-UHFFFAOYSA-N 2 2 295.387 -0.202 20 0 CBADLP C[C@H](CNC(=O)C(=O)NCCn1cc[nH+]c1)[N@H+](C)C1CC1 ZINC000283237575 352620898 /nfs/dbraw/zinc/62/08/98/352620898.db2.gz CLQNQDVLSXVNMT-LLVKDONJSA-N 2 2 293.371 -0.402 20 0 CBADLP C[C@H](CNC(=O)C(=O)NCCn1cc[nH+]c1)[N@@H+](C)C1CC1 ZINC000283237575 352620902 /nfs/dbraw/zinc/62/09/02/352620902.db2.gz CLQNQDVLSXVNMT-LLVKDONJSA-N 2 2 293.371 -0.402 20 0 CBADLP C[N@H+](CCNC(=O)C(=O)NCCn1cc[nH+]c1)C1CC1 ZINC000283302389 352622041 /nfs/dbraw/zinc/62/20/41/352622041.db2.gz IBACRDZKMSJAGL-UHFFFAOYSA-N 2 2 279.344 -0.790 20 0 CBADLP C[N@@H+](CCNC(=O)C(=O)NCCn1cc[nH+]c1)C1CC1 ZINC000283302389 352622045 /nfs/dbraw/zinc/62/20/45/352622045.db2.gz IBACRDZKMSJAGL-UHFFFAOYSA-N 2 2 279.344 -0.790 20 0 CBADLP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000283379123 352623349 /nfs/dbraw/zinc/62/33/49/352623349.db2.gz WEEASXCUOKVOJT-GFCCVEGCSA-N 2 2 295.387 -0.154 20 0 CBADLP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCCn1cc[nH+]c1 ZINC000284140965 352636011 /nfs/dbraw/zinc/63/60/11/352636011.db2.gz XHWZSPCGHIDEEB-NSHDSACASA-N 2 2 281.360 -0.544 20 0 CBADLP C[NH+](C)CCn1nccc1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000294115065 352700539 /nfs/dbraw/zinc/70/05/39/352700539.db2.gz PHBWDOJBDPZRQZ-LLVKDONJSA-N 2 2 281.360 -0.286 20 0 CBADLP C[NH+](C)CCn1nccc1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000294115065 352700543 /nfs/dbraw/zinc/70/05/43/352700543.db2.gz PHBWDOJBDPZRQZ-LLVKDONJSA-N 2 2 281.360 -0.286 20 0 CBADLP COCCCNC(=O)C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000299714815 352728163 /nfs/dbraw/zinc/72/81/63/352728163.db2.gz RDCXDYYTKZJTQZ-UHFFFAOYSA-N 2 2 295.387 -0.305 20 0 CBADLP C[N@@H+]1CCC[C@H]1CNC[C@H](O)C[NH+]1CCOCC1 ZINC000300691087 352734346 /nfs/dbraw/zinc/73/43/46/352734346.db2.gz PLPLUFQQZBRNAC-STQMWFEESA-N 2 2 257.378 -0.637 20 0 CBADLP C[N@H+]1CCC[C@H]1CNC[C@H](O)C[NH+]1CCOCC1 ZINC000300691087 352734348 /nfs/dbraw/zinc/73/43/48/352734348.db2.gz PLPLUFQQZBRNAC-STQMWFEESA-N 2 2 257.378 -0.637 20 0 CBADLP CN(C)c1cc[nH+]c(N2CCN(C(=O)C[NH+](C)C)CC2)n1 ZINC000301719106 352738199 /nfs/dbraw/zinc/73/81/99/352738199.db2.gz ILIBPBMKQVYIOB-UHFFFAOYSA-N 2 2 292.387 -0.247 20 0 CBADLP Cc1nc(NC[C@@H]2C[N@@H+](C)CCN2C)nc(N)[nH+]1 ZINC000302579672 352742202 /nfs/dbraw/zinc/74/22/02/352742202.db2.gz CINOMTRCCBDQAX-SECBINFHSA-N 2 2 251.338 -0.580 20 0 CBADLP Cc1nc(NC[C@@H]2C[N@H+](C)CCN2C)nc(N)[nH+]1 ZINC000302579672 352742203 /nfs/dbraw/zinc/74/22/03/352742203.db2.gz CINOMTRCCBDQAX-SECBINFHSA-N 2 2 251.338 -0.580 20 0 CBADLP O[C@H](CN1CC[NH+](C2CC2)CC1)C[NH+]1CCOCC1 ZINC000303213952 352744376 /nfs/dbraw/zinc/74/43/76/352744376.db2.gz ABXAOXGAZUWRSK-CQSZACIVSA-N 2 2 269.389 -0.541 20 0 CBADLP CC[N@@H+]1CCCN(C[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC000303990161 352745116 /nfs/dbraw/zinc/74/51/16/352745116.db2.gz YKMSIJXXBSHPGG-CQSZACIVSA-N 2 2 271.405 -0.293 20 0 CBADLP CC[N@H+]1CCCN(C[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC000303990161 352745121 /nfs/dbraw/zinc/74/51/21/352745121.db2.gz YKMSIJXXBSHPGG-CQSZACIVSA-N 2 2 271.405 -0.293 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCCCO)CC1 ZINC000305105116 352747554 /nfs/dbraw/zinc/74/75/54/352747554.db2.gz BCSBLLOTBWGBEM-ZDUSSCGKSA-N 2 2 269.389 -0.003 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCCCO)CC1 ZINC000305105116 352747556 /nfs/dbraw/zinc/74/75/56/352747556.db2.gz BCSBLLOTBWGBEM-ZDUSSCGKSA-N 2 2 269.389 -0.003 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](O)[C@H](C)C1 ZINC000310962351 352764145 /nfs/dbraw/zinc/76/41/45/352764145.db2.gz ATNSDBOUESXBNK-FRRDWIJNSA-N 2 2 260.378 -0.372 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](O)[C@H](C)C1 ZINC000310962351 352764146 /nfs/dbraw/zinc/76/41/46/352764146.db2.gz ATNSDBOUESXBNK-FRRDWIJNSA-N 2 2 260.378 -0.372 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000310962351 352764148 /nfs/dbraw/zinc/76/41/48/352764148.db2.gz ATNSDBOUESXBNK-FRRDWIJNSA-N 2 2 260.378 -0.372 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000310962351 352764150 /nfs/dbraw/zinc/76/41/50/352764150.db2.gz ATNSDBOUESXBNK-FRRDWIJNSA-N 2 2 260.378 -0.372 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]([NH3+])CC(F)F ZINC000310926873 352764412 /nfs/dbraw/zinc/76/44/12/352764412.db2.gz SFRDQKIKZCAXOG-IUCAKERBSA-N 2 2 265.304 -0.194 20 0 CBADLP C[N@H+](C[C@H](O)C[NH2+][C@H]1CCCS(=O)(=O)C1)C1CC1 ZINC000311206936 352766794 /nfs/dbraw/zinc/76/67/94/352766794.db2.gz JSGOOVJUZNNGCI-CMPLNLGQSA-N 2 2 276.402 -0.392 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CCCS(=O)(=O)C1)C1CC1 ZINC000311206936 352766796 /nfs/dbraw/zinc/76/67/96/352766796.db2.gz JSGOOVJUZNNGCI-CMPLNLGQSA-N 2 2 276.402 -0.392 20 0 CBADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000330367141 352815730 /nfs/dbraw/zinc/81/57/30/352815730.db2.gz NUOSAENZIPIYCF-NSHDSACASA-N 2 2 272.374 -0.056 20 0 CBADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000330367141 352815733 /nfs/dbraw/zinc/81/57/33/352815733.db2.gz NUOSAENZIPIYCF-NSHDSACASA-N 2 2 272.374 -0.056 20 0 CBADLP COCC[N@@H+]1CC[C@H]([NH2+]CCCNS(C)(=O)=O)C1 ZINC000328219966 352783160 /nfs/dbraw/zinc/78/31/60/352783160.db2.gz YCGGHNXCTCQMJF-NSHDSACASA-N 2 2 279.406 -0.764 20 0 CBADLP COCC[N@H+]1CC[C@H]([NH2+]CCCNS(C)(=O)=O)C1 ZINC000328219966 352783162 /nfs/dbraw/zinc/78/31/62/352783162.db2.gz YCGGHNXCTCQMJF-NSHDSACASA-N 2 2 279.406 -0.764 20 0 CBADLP CN1C(=O)N[C@@H]2C[N@@H+](C[C@@H](O)C[NH+](C)C3CC3)CC[C@@H]21 ZINC000329773182 352794215 /nfs/dbraw/zinc/79/42/15/352794215.db2.gz HYEADHZWBJOWDK-XQQFMLRXSA-N 2 2 282.388 -0.256 20 0 CBADLP CN1C(=O)N[C@@H]2C[N@H+](C[C@@H](O)C[NH+](C)C3CC3)CC[C@@H]21 ZINC000329773182 352794217 /nfs/dbraw/zinc/79/42/17/352794217.db2.gz HYEADHZWBJOWDK-XQQFMLRXSA-N 2 2 282.388 -0.256 20 0 CBADLP CN1C(=O)N[C@@H]2C[NH+](C[C@@H](O)C[N@H+](C)C3CC3)CC[C@@H]21 ZINC000329773182 352794220 /nfs/dbraw/zinc/79/42/20/352794220.db2.gz HYEADHZWBJOWDK-XQQFMLRXSA-N 2 2 282.388 -0.256 20 0 CBADLP CN1C(=O)N[C@@H]2C[NH+](C[C@@H](O)C[N@@H+](C)C3CC3)CC[C@@H]21 ZINC000329773182 352794224 /nfs/dbraw/zinc/79/42/24/352794224.db2.gz HYEADHZWBJOWDK-XQQFMLRXSA-N 2 2 282.388 -0.256 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000330571902 352850003 /nfs/dbraw/zinc/85/00/03/352850003.db2.gz MYUWFQQXNHSDEI-OLZOCXBDSA-N 2 2 285.388 -0.599 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000330571902 352850006 /nfs/dbraw/zinc/85/00/06/352850006.db2.gz MYUWFQQXNHSDEI-OLZOCXBDSA-N 2 2 285.388 -0.599 20 0 CBADLP CC[C@H](CO)[NH+]1CCN(C(=O)[C@@H]2C[C@H](OC)C[N@@H+]2C)CC1 ZINC000330579553 352851926 /nfs/dbraw/zinc/85/19/26/352851926.db2.gz PQDBKGSSAXTPAQ-RDBSUJKOSA-N 2 2 299.415 -0.379 20 0 CBADLP CC[C@H](CO)[NH+]1CCN(C(=O)[C@@H]2C[C@H](OC)C[N@H+]2C)CC1 ZINC000330579553 352851929 /nfs/dbraw/zinc/85/19/29/352851929.db2.gz PQDBKGSSAXTPAQ-RDBSUJKOSA-N 2 2 299.415 -0.379 20 0 CBADLP C[C@@H](C(=O)N1CC[C@@H]([N@H+](C)CCO)[C@H]1C)[NH+]1CCOCC1 ZINC000330706479 352853474 /nfs/dbraw/zinc/85/34/74/352853474.db2.gz LIZGLNSGJKMDET-HZSPNIEDSA-N 2 2 299.415 -0.379 20 0 CBADLP C[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)CCO)[C@H]1C)[NH+]1CCOCC1 ZINC000330706479 352853478 /nfs/dbraw/zinc/85/34/78/352853478.db2.gz LIZGLNSGJKMDET-HZSPNIEDSA-N 2 2 299.415 -0.379 20 0 CBADLP COCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000330965693 352860838 /nfs/dbraw/zinc/86/08/38/352860838.db2.gz RJVCZYTUIWRHKH-VXGBXAGGSA-N 2 2 271.361 -0.846 20 0 CBADLP COCC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000330965693 352860839 /nfs/dbraw/zinc/86/08/39/352860839.db2.gz RJVCZYTUIWRHKH-VXGBXAGGSA-N 2 2 271.361 -0.846 20 0 CBADLP COCC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000330965693 352860840 /nfs/dbraw/zinc/86/08/40/352860840.db2.gz RJVCZYTUIWRHKH-VXGBXAGGSA-N 2 2 271.361 -0.846 20 0 CBADLP COCC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000330965693 352860841 /nfs/dbraw/zinc/86/08/41/352860841.db2.gz RJVCZYTUIWRHKH-VXGBXAGGSA-N 2 2 271.361 -0.846 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)NCCC[NH+]2CCOCC2)[N@H+](C)C1 ZINC000330519417 352838903 /nfs/dbraw/zinc/83/89/03/352838903.db2.gz GWBKZHKFPRFZQM-STQMWFEESA-N 2 2 285.388 -0.456 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)NCCC[NH+]2CCOCC2)[N@@H+](C)C1 ZINC000330519417 352838906 /nfs/dbraw/zinc/83/89/06/352838906.db2.gz GWBKZHKFPRFZQM-STQMWFEESA-N 2 2 285.388 -0.456 20 0 CBADLP C[N@@H+](CC(N)=O)C[C@H]1CN(C(=O)[C@H]2CCC[NH+]2C)CCO1 ZINC000331255969 352896716 /nfs/dbraw/zinc/89/67/16/352896716.db2.gz YYWUIIZOEOMXTA-NWDGAFQWSA-N 2 2 298.387 -0.225 20 0 CBADLP C[N@H+](CC(N)=O)C[C@H]1CN(C(=O)[C@H]2CCC[NH+]2C)CCO1 ZINC000331255969 352896719 /nfs/dbraw/zinc/89/67/19/352896719.db2.gz YYWUIIZOEOMXTA-NWDGAFQWSA-N 2 2 298.387 -0.225 20 0 CBADLP C[NH+](CC(N)=O)C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CCO1 ZINC000331255969 352896721 /nfs/dbraw/zinc/89/67/21/352896721.db2.gz YYWUIIZOEOMXTA-NWDGAFQWSA-N 2 2 298.387 -0.225 20 0 CBADLP C[NH+](CC(N)=O)C[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CCO1 ZINC000331255969 352896724 /nfs/dbraw/zinc/89/67/24/352896724.db2.gz YYWUIIZOEOMXTA-NWDGAFQWSA-N 2 2 298.387 -0.225 20 0 CBADLP COC[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)[C@H]1CCCO1 ZINC000331252614 352896736 /nfs/dbraw/zinc/89/67/36/352896736.db2.gz UPFRJSKQQNAQNQ-CHWSQXEVSA-N 2 2 285.388 -0.456 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000332626691 352970404 /nfs/dbraw/zinc/97/04/04/352970404.db2.gz PVIPOAVKYFBPHR-KGLIPLIRSA-N 2 2 299.415 -0.208 20 0 CBADLP C[N@@H+]1CCO[C@@H](CNC(=O)N[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000332833171 352987854 /nfs/dbraw/zinc/98/78/54/352987854.db2.gz VKSXTQLKLXKXIB-YPMHNXCESA-N 2 2 282.388 -0.147 20 0 CBADLP C[N@H+]1CCO[C@@H](CNC(=O)N[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000332833171 352987856 /nfs/dbraw/zinc/98/78/56/352987856.db2.gz VKSXTQLKLXKXIB-YPMHNXCESA-N 2 2 282.388 -0.147 20 0 CBADLP C[NH+]1CCO[C@@H](CNC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000332833171 352987861 /nfs/dbraw/zinc/98/78/61/352987861.db2.gz VKSXTQLKLXKXIB-YPMHNXCESA-N 2 2 282.388 -0.147 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCOC[C@@H](O)C2)CC1 ZINC000332281154 352942240 /nfs/dbraw/zinc/94/22/40/352942240.db2.gz GAHLFLJUPGPZDY-OLZOCXBDSA-N 2 2 285.388 -0.768 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCOC[C@@H](O)C2)CC1 ZINC000332281154 352942242 /nfs/dbraw/zinc/94/22/42/352942242.db2.gz GAHLFLJUPGPZDY-OLZOCXBDSA-N 2 2 285.388 -0.768 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000332581332 352968311 /nfs/dbraw/zinc/96/83/11/352968311.db2.gz BSMKMMQRCWMCJF-STQMWFEESA-N 2 2 294.399 -0.782 20 0 CBADLP [NH3+][C@H]1CCN(C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)C1 ZINC000335056924 353029853 /nfs/dbraw/zinc/02/98/53/353029853.db2.gz BSAMPBKNTBJKPU-IUCAKERBSA-N 2 2 262.304 -0.026 20 0 CBADLP C[N@@H+]1CCO[C@H]2CN(C(=O)NCCn3cc[nH+]c3)C[C@H]21 ZINC000332942141 352994293 /nfs/dbraw/zinc/99/42/93/352994293.db2.gz SVFJXGVHBSGXEU-NEPJUHHUSA-N 2 2 279.344 -0.393 20 0 CBADLP C[N@H+]1CCO[C@H]2CN(C(=O)NCCn3cc[nH+]c3)C[C@H]21 ZINC000332942141 352994295 /nfs/dbraw/zinc/99/42/95/352994295.db2.gz SVFJXGVHBSGXEU-NEPJUHHUSA-N 2 2 279.344 -0.393 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000332997323 352994906 /nfs/dbraw/zinc/99/49/06/352994906.db2.gz FGEISWZJHHYSEG-GHMZBOCLSA-N 2 2 264.329 -0.355 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000332997323 352994911 /nfs/dbraw/zinc/99/49/11/352994911.db2.gz FGEISWZJHHYSEG-GHMZBOCLSA-N 2 2 264.329 -0.355 20 0 CBADLP C[C@@H]1C[NH2+]CCN1c1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000333492166 353001605 /nfs/dbraw/zinc/00/16/05/353001605.db2.gz GVWDZTCLRAYGJH-LLVKDONJSA-N 2 2 290.371 -0.447 20 0 CBADLP CN1CCN(c2cc(N[C@H]3CCC[NH2+]C3)nc[nH+]2)CC1=O ZINC000333517137 353002774 /nfs/dbraw/zinc/00/27/74/353002774.db2.gz JXQQLGRTMOJUQX-NSHDSACASA-N 2 2 290.371 -0.081 20 0 CBADLP O=C(C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)N1CCNC(=O)C1 ZINC000333813006 353010665 /nfs/dbraw/zinc/01/06/65/353010665.db2.gz FZUAUKAFTMWNAH-CHWSQXEVSA-N 2 2 294.399 -0.591 20 0 CBADLP O=C(C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)N1CCNC(=O)C1 ZINC000333813006 353010668 /nfs/dbraw/zinc/01/06/68/353010668.db2.gz FZUAUKAFTMWNAH-CHWSQXEVSA-N 2 2 294.399 -0.591 20 0 CBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C[C@H]1CCC[N@@H+]1C ZINC000336816817 353058785 /nfs/dbraw/zinc/05/87/85/353058785.db2.gz NMSGOELLYJCGNA-KGLIPLIRSA-N 2 2 271.405 -0.295 20 0 CBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C[C@H]1CCC[N@H+]1C ZINC000336816817 353058787 /nfs/dbraw/zinc/05/87/87/353058787.db2.gz NMSGOELLYJCGNA-KGLIPLIRSA-N 2 2 271.405 -0.295 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCOC2(C)C)CC1 ZINC000336907846 353065841 /nfs/dbraw/zinc/06/58/41/353065841.db2.gz ZMNJDHIJBKSZOD-LLVKDONJSA-N 2 2 255.362 -0.083 20 0 CBADLP COC(=O)[C@@H]1CC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000336791460 353053293 /nfs/dbraw/zinc/05/32/93/353053293.db2.gz NOMGEUUZVQSFBM-PWSUYJOCSA-N 2 2 256.346 -0.064 20 0 CBADLP COC(=O)[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000336791460 353053296 /nfs/dbraw/zinc/05/32/96/353053296.db2.gz NOMGEUUZVQSFBM-PWSUYJOCSA-N 2 2 256.346 -0.064 20 0 CBADLP COC(=O)[C@@H]1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000336791460 353053299 /nfs/dbraw/zinc/05/32/99/353053299.db2.gz NOMGEUUZVQSFBM-PWSUYJOCSA-N 2 2 256.346 -0.064 20 0 CBADLP COC(=O)[C@@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000336791460 353053302 /nfs/dbraw/zinc/05/33/02/353053302.db2.gz NOMGEUUZVQSFBM-PWSUYJOCSA-N 2 2 256.346 -0.064 20 0 CBADLP C[N@H+](CCn1cc[nH+]c1)C[C@H](O)CN1CCOCC1 ZINC000336800914 353055084 /nfs/dbraw/zinc/05/50/84/353055084.db2.gz OEGDGRTYHDZOJW-ZDUSSCGKSA-N 2 2 268.361 -0.492 20 0 CBADLP C[N@@H+](CCn1cc[nH+]c1)C[C@H](O)CN1CCOCC1 ZINC000336800914 353055086 /nfs/dbraw/zinc/05/50/86/353055086.db2.gz OEGDGRTYHDZOJW-ZDUSSCGKSA-N 2 2 268.361 -0.492 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@](F)(CO)C2)CC1 ZINC000338594637 353107385 /nfs/dbraw/zinc/10/73/85/353107385.db2.gz ZVQKNISZYBBDBV-JSGCOSHPSA-N 2 2 287.379 -0.055 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@](F)(CO)C2)CC1 ZINC000338594637 353107386 /nfs/dbraw/zinc/10/73/86/353107386.db2.gz ZVQKNISZYBBDBV-JSGCOSHPSA-N 2 2 287.379 -0.055 20 0 CBADLP CC[N@H+](C)CCNC(=O)NCC[NH+]1CCOCC1 ZINC000338237489 353090932 /nfs/dbraw/zinc/09/09/32/353090932.db2.gz PCVVIIWWPUESHH-UHFFFAOYSA-N 2 2 258.366 -0.431 20 0 CBADLP CC[N@@H+](C)CCNC(=O)NCC[NH+]1CCOCC1 ZINC000338237489 353090934 /nfs/dbraw/zinc/09/09/34/353090934.db2.gz PCVVIIWWPUESHH-UHFFFAOYSA-N 2 2 258.366 -0.431 20 0 CBADLP C[C@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)CC[S@@]1=O ZINC000338322753 353095346 /nfs/dbraw/zinc/09/53/46/353095346.db2.gz YXPGNBGRHICDKW-BUXKBTBVSA-N 2 2 287.429 -0.397 20 0 CBADLP C[C@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)CC[S@@]1=O ZINC000338322753 353095348 /nfs/dbraw/zinc/09/53/48/353095348.db2.gz YXPGNBGRHICDKW-BUXKBTBVSA-N 2 2 287.429 -0.397 20 0 CBADLP CC[N@H+](CCO)CCNC(=O)CCc1c[nH+]cn1C ZINC000339171378 353133134 /nfs/dbraw/zinc/13/31/34/353133134.db2.gz OBLUFMJOMHWJMC-UHFFFAOYSA-N 2 2 268.361 -0.217 20 0 CBADLP CC[N@@H+](CCO)CCNC(=O)CCc1c[nH+]cn1C ZINC000339171378 353133136 /nfs/dbraw/zinc/13/31/36/353133136.db2.gz OBLUFMJOMHWJMC-UHFFFAOYSA-N 2 2 268.361 -0.217 20 0 CBADLP CC[NH+](CC)CCS(=O)(=O)N1CC[NH+](C)CC1 ZINC000340047548 353145897 /nfs/dbraw/zinc/14/58/97/353145897.db2.gz MMWRESVHUFZAHS-UHFFFAOYSA-N 2 2 263.407 -0.095 20 0 CBADLP C[NH+](C)CC(=O)NCCN(C(=O)C[NH+](C)C)C1CC1 ZINC000340122232 353151995 /nfs/dbraw/zinc/15/19/95/353151995.db2.gz GMOPNZOATQCCSQ-UHFFFAOYSA-N 2 2 270.377 -0.783 20 0 CBADLP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000340664668 353181849 /nfs/dbraw/zinc/18/18/49/353181849.db2.gz SQJNOAYIDULXIK-RYUDHWBXSA-N 2 2 295.387 -0.156 20 0 CBADLP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000340664669 353181896 /nfs/dbraw/zinc/18/18/96/353181896.db2.gz SQJNOAYIDULXIK-VXGBXAGGSA-N 2 2 295.387 -0.156 20 0 CBADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CC(N)=O)CC1 ZINC000153987655 188115932 /nfs/dbraw/zinc/11/59/32/188115932.db2.gz PXDGTFHXLRVGLT-CHWSQXEVSA-N 2 2 268.405 -0.038 20 0 CBADLP C[C@H]1C[C@@H](O)C[N@@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000340927823 353192979 /nfs/dbraw/zinc/19/29/79/353192979.db2.gz PZQZHJQYSJHMGC-QWHCGFSZSA-N 2 2 299.415 -0.332 20 0 CBADLP C[C@H]1C[C@@H](O)C[N@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000340927823 353192983 /nfs/dbraw/zinc/19/29/83/353192983.db2.gz PZQZHJQYSJHMGC-QWHCGFSZSA-N 2 2 299.415 -0.332 20 0 CBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1nnnn1C ZINC000341137555 353202665 /nfs/dbraw/zinc/20/26/65/353202665.db2.gz OUCVFJLZUCAQAW-UHFFFAOYSA-N 2 2 281.408 -0.332 20 0 CBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1nnnn1C ZINC000341137555 353202668 /nfs/dbraw/zinc/20/26/68/353202668.db2.gz OUCVFJLZUCAQAW-UHFFFAOYSA-N 2 2 281.408 -0.332 20 0 CBADLP COC(=O)c1cn(CC[NH2+][C@H]2C[N@H+](C)C[C@H]2C)nn1 ZINC000341277914 353208712 /nfs/dbraw/zinc/20/87/12/353208712.db2.gz SVLNWUCHLXSKFD-ZJUUUORDSA-N 2 2 267.333 -0.396 20 0 CBADLP COC(=O)c1cn(CC[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)nn1 ZINC000341277914 353208713 /nfs/dbraw/zinc/20/87/13/353208713.db2.gz SVLNWUCHLXSKFD-ZJUUUORDSA-N 2 2 267.333 -0.396 20 0 CBADLP Cc1c[nH+]c(CN2CCO[C@@H](C[N@H+](C)CC(N)=O)C2)n1C ZINC000342768318 353232680 /nfs/dbraw/zinc/23/26/80/353232680.db2.gz KNVOJLFUCZKKSU-LBPRGKRZSA-N 2 2 295.387 -0.654 20 0 CBADLP Cc1c[nH+]c(CN2CCO[C@@H](C[N@@H+](C)CC(N)=O)C2)n1C ZINC000342768318 353232683 /nfs/dbraw/zinc/23/26/83/353232683.db2.gz KNVOJLFUCZKKSU-LBPRGKRZSA-N 2 2 295.387 -0.654 20 0 CBADLP C[C@H](CO)[NH+](C)CC1(C[N@@H+](C)[C@@H](C)CO)COC1 ZINC000342092173 353219454 /nfs/dbraw/zinc/21/94/54/353219454.db2.gz PWCJALFISUJUIZ-TXEJJXNPSA-N 2 2 260.378 -0.372 20 0 CBADLP C[C@H](CO)[NH+](C)CC1(C[N@H+](C)[C@@H](C)CO)COC1 ZINC000342092173 353219457 /nfs/dbraw/zinc/21/94/57/353219457.db2.gz PWCJALFISUJUIZ-TXEJJXNPSA-N 2 2 260.378 -0.372 20 0 CBADLP C[C@H](CO)[N@@H+](C)CC1(C[NH+](C)[C@@H](C)CO)COC1 ZINC000342092173 353219460 /nfs/dbraw/zinc/21/94/60/353219460.db2.gz PWCJALFISUJUIZ-TXEJJXNPSA-N 2 2 260.378 -0.372 20 0 CBADLP C[C@H](CO)[N@H+](C)CC1(C[NH+](C)[C@@H](C)CO)COC1 ZINC000342092173 353219463 /nfs/dbraw/zinc/21/94/63/353219463.db2.gz PWCJALFISUJUIZ-TXEJJXNPSA-N 2 2 260.378 -0.372 20 0 CBADLP COC(=O)CC[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000342700704 353228287 /nfs/dbraw/zinc/22/82/87/353228287.db2.gz YDENOZCDUXFCLG-WDEREUQCSA-N 2 2 287.360 -0.896 20 0 CBADLP COC(=O)CC[C@@H]([NH3+])C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000342700704 353228289 /nfs/dbraw/zinc/22/82/89/353228289.db2.gz YDENOZCDUXFCLG-WDEREUQCSA-N 2 2 287.360 -0.896 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000342715071 353228684 /nfs/dbraw/zinc/22/86/84/353228684.db2.gz UPTLHZUXUQAQNY-CYBMUJFWSA-N 2 2 282.388 -0.734 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NC[C@@H]1CC[NH+](C)C1 ZINC000343130145 353254962 /nfs/dbraw/zinc/25/49/62/353254962.db2.gz JYUVBCIBVBRLLU-LBPRGKRZSA-N 2 2 284.404 -0.489 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NC[C@@H]1CC[NH+](C)C1 ZINC000343130145 353254966 /nfs/dbraw/zinc/25/49/66/353254966.db2.gz JYUVBCIBVBRLLU-LBPRGKRZSA-N 2 2 284.404 -0.489 20 0 CBADLP CC(C)NC(=O)C[NH+](C)CC(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000343130145 353254967 /nfs/dbraw/zinc/25/49/67/353254967.db2.gz JYUVBCIBVBRLLU-LBPRGKRZSA-N 2 2 284.404 -0.489 20 0 CBADLP CC(C)NC(=O)C[NH+](C)CC(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000343130145 353254971 /nfs/dbraw/zinc/25/49/71/353254971.db2.gz JYUVBCIBVBRLLU-LBPRGKRZSA-N 2 2 284.404 -0.489 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000343136508 353255610 /nfs/dbraw/zinc/25/56/10/353255610.db2.gz ZXNRKUPTPDIJAI-UONOGXRCSA-N 2 2 296.415 -0.787 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000343136508 353255612 /nfs/dbraw/zinc/25/56/12/353255612.db2.gz ZXNRKUPTPDIJAI-UONOGXRCSA-N 2 2 296.415 -0.787 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NCC1=CC[NH+](C)CC1 ZINC000343259284 353262088 /nfs/dbraw/zinc/26/20/88/353262088.db2.gz MQAXDDRMGRFQKE-UHFFFAOYSA-N 2 2 296.415 -0.179 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NCC1=CC[NH+](C)CC1 ZINC000343259284 353262091 /nfs/dbraw/zinc/26/20/91/353262091.db2.gz MQAXDDRMGRFQKE-UHFFFAOYSA-N 2 2 296.415 -0.179 20 0 CBADLP CC(C)NC(=O)C[NH+](C)CC(=O)NCC1=CC[N@H+](C)CC1 ZINC000343259284 353262094 /nfs/dbraw/zinc/26/20/94/353262094.db2.gz MQAXDDRMGRFQKE-UHFFFAOYSA-N 2 2 296.415 -0.179 20 0 CBADLP CC(C)NC(=O)C[NH+](C)CC(=O)NCC1=CC[N@@H+](C)CC1 ZINC000343259284 353262096 /nfs/dbraw/zinc/26/20/96/353262096.db2.gz MQAXDDRMGRFQKE-UHFFFAOYSA-N 2 2 296.415 -0.179 20 0 CBADLP CC[C@@]1(C(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)CCC[NH2+]1 ZINC000343769188 353290628 /nfs/dbraw/zinc/29/06/28/353290628.db2.gz KXWRWIMMKCDWOJ-HNNXBMFYSA-N 2 2 296.415 -0.073 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCSC[C@@H]2CO)CC1 ZINC000343771854 353290944 /nfs/dbraw/zinc/29/09/44/353290944.db2.gz SBTSFECYYIOJJD-NSHDSACASA-N 2 2 273.402 -0.830 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CCSC[C@@H]2CO)CC1 ZINC000343771854 353290945 /nfs/dbraw/zinc/29/09/45/353290945.db2.gz SBTSFECYYIOJJD-NSHDSACASA-N 2 2 273.402 -0.830 20 0 CBADLP NC(=O)NC(=O)C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156375363 188258167 /nfs/dbraw/zinc/25/81/67/188258167.db2.gz HMXSRIMUBFDCQN-JTQLQIEISA-N 2 2 264.285 -0.270 20 0 CBADLP NC(=O)NC(=O)C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156375363 188258168 /nfs/dbraw/zinc/25/81/68/188258168.db2.gz HMXSRIMUBFDCQN-JTQLQIEISA-N 2 2 264.285 -0.270 20 0 CBADLP O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)[C@@H]1CCC[NH2+]C1 ZINC000343898833 353297269 /nfs/dbraw/zinc/29/72/69/353297269.db2.gz YMEYYFLAIVAPMB-DGCLKSJQSA-N 2 2 267.373 -0.035 20 0 CBADLP O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)[C@@H]1CCC[NH2+]C1 ZINC000343898833 353297270 /nfs/dbraw/zinc/29/72/70/353297270.db2.gz YMEYYFLAIVAPMB-DGCLKSJQSA-N 2 2 267.373 -0.035 20 0 CBADLP CC(C)[C@H](CNC(=O)[C@@H]1[NH2+]CCO[C@H]1C)[NH+]1CCOCC1 ZINC000344492098 353305082 /nfs/dbraw/zinc/30/50/82/353305082.db2.gz PKKHMKOVLIDLFD-MELADBBJSA-N 2 2 299.415 -0.164 20 0 CBADLP CN1CCOC[C@@H]1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000345435132 353330672 /nfs/dbraw/zinc/33/06/72/353330672.db2.gz JAQZJDFJWXSODS-CQSZACIVSA-N 2 2 298.431 -0.541 20 0 CBADLP C[C@H]1CC[N@H+](C)CCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000346147213 353363558 /nfs/dbraw/zinc/36/35/58/353363558.db2.gz JDPYQBQGJZCKPA-RYUDHWBXSA-N 2 2 255.362 -0.130 20 0 CBADLP C[C@H]1CC[N@@H+](C)CCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000346147213 353363561 /nfs/dbraw/zinc/36/35/61/353363561.db2.gz JDPYQBQGJZCKPA-RYUDHWBXSA-N 2 2 255.362 -0.130 20 0 CBADLP C[C@H]1CC[NH+](C)CCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000346147213 353363564 /nfs/dbraw/zinc/36/35/64/353363564.db2.gz JDPYQBQGJZCKPA-RYUDHWBXSA-N 2 2 255.362 -0.130 20 0 CBADLP C[C@H]1CC[NH+](C)CCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000346147213 353363566 /nfs/dbraw/zinc/36/35/66/353363566.db2.gz JDPYQBQGJZCKPA-RYUDHWBXSA-N 2 2 255.362 -0.130 20 0 CBADLP C[C@H]1CC[N@H+](C)CCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC000346147211 353363715 /nfs/dbraw/zinc/36/37/15/353363715.db2.gz JDPYQBQGJZCKPA-NWDGAFQWSA-N 2 2 255.362 -0.130 20 0 CBADLP C[C@H]1CC[N@@H+](C)CCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC000346147211 353363717 /nfs/dbraw/zinc/36/37/17/353363717.db2.gz JDPYQBQGJZCKPA-NWDGAFQWSA-N 2 2 255.362 -0.130 20 0 CBADLP C[C@H]1CC[NH+](C)CCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000346147211 353363720 /nfs/dbraw/zinc/36/37/20/353363720.db2.gz JDPYQBQGJZCKPA-NWDGAFQWSA-N 2 2 255.362 -0.130 20 0 CBADLP C[C@H]1CC[NH+](C)CCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000346147211 353363721 /nfs/dbraw/zinc/36/37/21/353363721.db2.gz JDPYQBQGJZCKPA-NWDGAFQWSA-N 2 2 255.362 -0.130 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]([NH3+])CC(F)F ZINC000345688469 353343752 /nfs/dbraw/zinc/34/37/52/353343752.db2.gz IRBWAQNUVKTYDZ-IUCAKERBSA-N 2 2 265.304 -0.194 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]([NH3+])CC(F)F ZINC000345688469 353343755 /nfs/dbraw/zinc/34/37/55/353343755.db2.gz IRBWAQNUVKTYDZ-IUCAKERBSA-N 2 2 265.304 -0.194 20 0 CBADLP Cn1cc(C[N@@H+]2CCCC[C@H]2C[NH3+])c(=O)n(C)c1=O ZINC000347027158 353395430 /nfs/dbraw/zinc/39/54/30/353395430.db2.gz URXYOULYWKDNLO-NSHDSACASA-N 2 2 266.345 -0.603 20 0 CBADLP Cn1cc(C[N@H+]2CCCC[C@H]2C[NH3+])c(=O)n(C)c1=O ZINC000347027158 353395433 /nfs/dbraw/zinc/39/54/33/353395433.db2.gz URXYOULYWKDNLO-NSHDSACASA-N 2 2 266.345 -0.603 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NCCCC[NH+](C)C ZINC000346478776 353379253 /nfs/dbraw/zinc/37/92/53/353379253.db2.gz GLXGNPLNANVXHC-UHFFFAOYSA-N 2 2 286.420 -0.099 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NCCCC[NH+](C)C ZINC000346478776 353379255 /nfs/dbraw/zinc/37/92/55/353379255.db2.gz GLXGNPLNANVXHC-UHFFFAOYSA-N 2 2 286.420 -0.099 20 0 CBADLP C[C@H](CNC(=O)CCOC1C[NH2+]C1)[NH+]1CCN(C)CC1 ZINC000348992427 353444119 /nfs/dbraw/zinc/44/41/19/353444119.db2.gz IECYNDDYZHYPRA-GFCCVEGCSA-N 2 2 284.404 -0.883 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)CCOC1C[NH2+]C1 ZINC000349049289 353446752 /nfs/dbraw/zinc/44/67/52/353446752.db2.gz IIRZBDMWCBZFBE-NSHDSACASA-N 2 2 271.361 -0.798 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)CCOC1C[NH2+]C1 ZINC000349049289 353446756 /nfs/dbraw/zinc/44/67/56/353446756.db2.gz IIRZBDMWCBZFBE-NSHDSACASA-N 2 2 271.361 -0.798 20 0 CBADLP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000348755049 353433252 /nfs/dbraw/zinc/43/32/52/353433252.db2.gz FFKCIARIFVEDNA-UHFFFAOYSA-N 3 2 279.388 -0.055 20 0 CBADLP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000348755049 353433257 /nfs/dbraw/zinc/43/32/57/353433257.db2.gz FFKCIARIFVEDNA-UHFFFAOYSA-N 3 2 279.388 -0.055 20 0 CBADLP COC1(CO)CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000352349585 353481050 /nfs/dbraw/zinc/48/10/50/353481050.db2.gz LSCAJGHWEAPFCG-ZDUSSCGKSA-N 2 2 272.389 -0.085 20 0 CBADLP COC1(CO)CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000352349585 353481053 /nfs/dbraw/zinc/48/10/53/353481053.db2.gz LSCAJGHWEAPFCG-ZDUSSCGKSA-N 2 2 272.389 -0.085 20 0 CBADLP C[N@H+](C[C@H](O)C[NH2+][C@@H](CO)[C@@H]1CCCO1)C1CC1 ZINC000352355395 353481746 /nfs/dbraw/zinc/48/17/46/353481746.db2.gz CHIJTGCZTGEWCT-AGIUHOORSA-N 2 2 258.362 -0.429 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH2+][C@@H](CO)[C@@H]1CCCO1)C1CC1 ZINC000352355395 353481747 /nfs/dbraw/zinc/48/17/47/353481747.db2.gz CHIJTGCZTGEWCT-AGIUHOORSA-N 2 2 258.362 -0.429 20 0 CBADLP C[C@@H]1OCC[C@@H]1[N@H+](CCO)C[C@@H](O)C[NH+](C)C1CC1 ZINC000352364766 353482833 /nfs/dbraw/zinc/48/28/33/353482833.db2.gz IHXXXKKRMWSBBI-UBHSHLNASA-N 2 2 272.389 -0.087 20 0 CBADLP C[C@@H]1OCC[C@@H]1[N@@H+](CCO)C[C@@H](O)C[NH+](C)C1CC1 ZINC000352364766 353482836 /nfs/dbraw/zinc/48/28/36/353482836.db2.gz IHXXXKKRMWSBBI-UBHSHLNASA-N 2 2 272.389 -0.087 20 0 CBADLP C[C@@H]1OCC[C@@H]1[NH+](CCO)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000352364766 353482838 /nfs/dbraw/zinc/48/28/38/353482838.db2.gz IHXXXKKRMWSBBI-UBHSHLNASA-N 2 2 272.389 -0.087 20 0 CBADLP C[C@@H]1OCC[C@@H]1[NH+](CCO)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000352364766 353482841 /nfs/dbraw/zinc/48/28/41/353482841.db2.gz IHXXXKKRMWSBBI-UBHSHLNASA-N 2 2 272.389 -0.087 20 0 CBADLP C[C@H](CC[NH+](C)C)NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000349639111 353457961 /nfs/dbraw/zinc/45/79/61/353457961.db2.gz RCULNOIPPWFGIN-CHWSQXEVSA-N 2 2 285.436 -0.128 20 0 CBADLP C[C@H](CC[NH+](C)C)NC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000349639111 353457963 /nfs/dbraw/zinc/45/79/63/353457963.db2.gz RCULNOIPPWFGIN-CHWSQXEVSA-N 2 2 285.436 -0.128 20 0 CBADLP C[C@@H](C[NH+](C)C)NC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000352995691 353515829 /nfs/dbraw/zinc/51/58/29/353515829.db2.gz CIVCGXQFHWRIDL-STQMWFEESA-N 2 2 285.436 -0.128 20 0 CBADLP C[NH+](CC1(C[N@@H+](C)C2(CO)CC2)COC1)C1(CO)CC1 ZINC000353019216 353517433 /nfs/dbraw/zinc/51/74/33/353517433.db2.gz FOQFYFAYLUMLJH-UHFFFAOYSA-N 2 2 284.400 -0.084 20 0 CBADLP C[NH+](CC1(C[N@H+](C)C2(CO)CC2)COC1)C1(CO)CC1 ZINC000353019216 353517436 /nfs/dbraw/zinc/51/74/36/353517436.db2.gz FOQFYFAYLUMLJH-UHFFFAOYSA-N 2 2 284.400 -0.084 20 0 CBADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CCS(=O)(=O)N(C)C)C1 ZINC000353096051 353520762 /nfs/dbraw/zinc/52/07/62/353520762.db2.gz QPSBWYBEOZSMMW-MNOVXSKESA-N 2 2 263.407 -0.192 20 0 CBADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CCS(=O)(=O)N(C)C)C1 ZINC000353096051 353520763 /nfs/dbraw/zinc/52/07/63/353520763.db2.gz QPSBWYBEOZSMMW-MNOVXSKESA-N 2 2 263.407 -0.192 20 0 CBADLP C[C@H](C[NH+](C)C)NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000353090570 353520894 /nfs/dbraw/zinc/52/08/94/353520894.db2.gz SQFQPNZRNSPUML-VXGBXAGGSA-N 2 2 271.409 -0.519 20 0 CBADLP C[C@H](C[NH+](C)C)NC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000353090570 353520895 /nfs/dbraw/zinc/52/08/95/353520895.db2.gz SQFQPNZRNSPUML-VXGBXAGGSA-N 2 2 271.409 -0.519 20 0 CBADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C2([NH3+])CC2)CC1 ZINC000353207322 353527796 /nfs/dbraw/zinc/52/77/96/353527796.db2.gz RQGXHIVPURBISB-SNVBAGLBSA-N 2 2 269.345 -0.427 20 0 CBADLP CO[C@@H](C[NH3+])C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000353514799 353533143 /nfs/dbraw/zinc/53/31/43/353533143.db2.gz LOTODNILGLWQHD-NEPJUHHUSA-N 2 2 271.361 -0.717 20 0 CBADLP O=C1NC(=O)N2CC[N@H+](CCCn3cc[nH+]c3)C[C@H]12 ZINC000352777990 353504893 /nfs/dbraw/zinc/50/48/93/353504893.db2.gz IPHQGGYGBSZBIV-SNVBAGLBSA-N 2 2 263.301 -0.491 20 0 CBADLP O=C1NC(=O)N2CC[N@@H+](CCCn3cc[nH+]c3)C[C@H]12 ZINC000352777990 353504896 /nfs/dbraw/zinc/50/48/96/353504896.db2.gz IPHQGGYGBSZBIV-SNVBAGLBSA-N 2 2 263.301 -0.491 20 0 CBADLP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NCCCn1cc[nH+]c1 ZINC000354703595 353579216 /nfs/dbraw/zinc/57/92/16/353579216.db2.gz ZRJUAAFJUFSGBV-GFCCVEGCSA-N 2 2 293.371 -0.352 20 0 CBADLP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NCCCn1cc[nH+]c1 ZINC000354703596 353579636 /nfs/dbraw/zinc/57/96/36/353579636.db2.gz ZRJUAAFJUFSGBV-LBPRGKRZSA-N 2 2 293.371 -0.352 20 0 CBADLP C[NH+](C)Cc1cc(C(=O)NC[C@@H]2C[N@H+](C)CCO2)no1 ZINC000355577560 353595218 /nfs/dbraw/zinc/59/52/18/353595218.db2.gz RTQJNWZMPNJUTN-LLVKDONJSA-N 2 2 282.344 -0.203 20 0 CBADLP C[NH+](C)Cc1cc(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)no1 ZINC000355577560 353595222 /nfs/dbraw/zinc/59/52/22/353595222.db2.gz RTQJNWZMPNJUTN-LLVKDONJSA-N 2 2 282.344 -0.203 20 0 CBADLP Cc1nc(N2CC[NH+](C)CC2)nc(N2CC[NH+](C)CC2)n1 ZINC000356176824 353597241 /nfs/dbraw/zinc/59/72/41/353597241.db2.gz XXZUGBZPFVSGHI-UHFFFAOYSA-N 2 2 291.403 -0.316 20 0 CBADLP C[C@H](C[NH3+])C(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000357249292 353601616 /nfs/dbraw/zinc/60/16/16/353601616.db2.gz RQEWEYPJSRSPNE-OLZOCXBDSA-N 2 2 296.415 -0.264 20 0 CBADLP COCCN1CC[C@@H]([NH2+]C[C@]2(O)CC[N@H+](C)C2)C1 ZINC000358119592 353627617 /nfs/dbraw/zinc/62/76/17/353627617.db2.gz OTUMBMNBRRBMEU-CHWSQXEVSA-N 2 2 257.378 -0.637 20 0 CBADLP COCCN1CC[C@@H]([NH2+]C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC000358119592 353627620 /nfs/dbraw/zinc/62/76/20/353627620.db2.gz OTUMBMNBRRBMEU-CHWSQXEVSA-N 2 2 257.378 -0.637 20 0 CBADLP CO[C@H](C)[C@H](C)[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000358159628 353630537 /nfs/dbraw/zinc/63/05/37/353630537.db2.gz REVXGMRZPWPGFH-MJBXVCDLSA-N 2 2 299.415 -0.068 20 0 CBADLP Cn1cc(N2CC[C@@H]([N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)C2=O)cn1 ZINC000359306570 353653110 /nfs/dbraw/zinc/65/31/10/353653110.db2.gz MPFPEFYXCCURHJ-NTZNESFSSA-N 2 2 275.356 -0.323 20 0 CBADLP Cn1cc(N2CC[C@@H]([N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)C2=O)cn1 ZINC000359306570 353653114 /nfs/dbraw/zinc/65/31/14/353653114.db2.gz MPFPEFYXCCURHJ-NTZNESFSSA-N 2 2 275.356 -0.323 20 0 CBADLP C[N@@H+]1CC[C@@](O)(CNC(=O)NCCCn2cc[nH+]c2)C1 ZINC000357734290 353604729 /nfs/dbraw/zinc/60/47/29/353604729.db2.gz WJGBWAQAUKEQIZ-CYBMUJFWSA-N 2 2 281.360 -0.361 20 0 CBADLP C[N@H+]1CC[C@@](O)(CNC(=O)NCCCn2cc[nH+]c2)C1 ZINC000357734290 353604732 /nfs/dbraw/zinc/60/47/32/353604732.db2.gz WJGBWAQAUKEQIZ-CYBMUJFWSA-N 2 2 281.360 -0.361 20 0 CBADLP CCOCCOC[C@H](O)C[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000357878091 353611509 /nfs/dbraw/zinc/61/15/09/353611509.db2.gz OFKACKMPDPEAOS-XQQFMLRXSA-N 2 2 260.378 -0.060 20 0 CBADLP CCOCCOC[C@H](O)C[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000357878091 353611510 /nfs/dbraw/zinc/61/15/10/353611510.db2.gz OFKACKMPDPEAOS-XQQFMLRXSA-N 2 2 260.378 -0.060 20 0 CBADLP C[NH+](C)CCN(C(=O)C[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000357882168 353611719 /nfs/dbraw/zinc/61/17/19/353611719.db2.gz RANHHUFNNUAIRC-LLVKDONJSA-N 2 2 291.417 -0.875 20 0 CBADLP O[C@@H]1COC[C@@H]1[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000361301484 353660459 /nfs/dbraw/zinc/66/04/59/353660459.db2.gz WYRUTDUEDLUBAY-HZSPNIEDSA-N 2 2 270.373 -0.210 20 0 CBADLP COc1cc[nH+]c(N2CC[NH+]([C@H]3COC[C@@H]3O)CC2)c1 ZINC000361289532 353661050 /nfs/dbraw/zinc/66/10/50/353661050.db2.gz POMIKRDJOBNPEP-STQMWFEESA-N 2 2 279.340 -0.028 20 0 CBADLP CN(C)c1nc(N2CC[NH+]([C@H]3COC[C@@H]3O)CC2)cc[nH+]1 ZINC000361310890 353661144 /nfs/dbraw/zinc/66/11/44/353661144.db2.gz VDUHMRFKLACUOP-RYUDHWBXSA-N 2 2 293.371 -0.576 20 0 CBADLP O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)[C@@H]1C[NH2+]CCO1 ZINC000361717952 353663203 /nfs/dbraw/zinc/66/32/03/353663203.db2.gz KGTXOJFZVNWGNC-MCIONIFRSA-N 2 2 297.399 -0.266 20 0 CBADLP O=C(C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)NC1CC1 ZINC000362828237 353668426 /nfs/dbraw/zinc/66/84/26/353668426.db2.gz CMCDCYGHIDCPEB-LBPRGKRZSA-N 2 2 280.372 -0.839 20 0 CBADLP O=C(C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)NC1CC1 ZINC000362828237 353668430 /nfs/dbraw/zinc/66/84/30/353668430.db2.gz CMCDCYGHIDCPEB-LBPRGKRZSA-N 2 2 280.372 -0.839 20 0 CBADLP CN([C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)S(N)(=O)=O ZINC000369346160 353689047 /nfs/dbraw/zinc/68/90/47/353689047.db2.gz WTCLTSYBKQNWHH-LLVKDONJSA-N 2 2 276.406 -0.710 20 0 CBADLP CN([C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)S(N)(=O)=O ZINC000369346160 353689049 /nfs/dbraw/zinc/68/90/49/353689049.db2.gz WTCLTSYBKQNWHH-LLVKDONJSA-N 2 2 276.406 -0.710 20 0 CBADLP CCOCC[NH+]1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC000371814833 353706308 /nfs/dbraw/zinc/70/63/08/353706308.db2.gz OHSDQUDACMVATE-CQSZACIVSA-N 2 2 299.415 -0.112 20 0 CBADLP CCOCC[NH+]1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC000371814833 353706310 /nfs/dbraw/zinc/70/63/10/353706310.db2.gz OHSDQUDACMVATE-CQSZACIVSA-N 2 2 299.415 -0.112 20 0 CBADLP O=C([C@H]1COCC[NH2+]1)N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000372103571 353710762 /nfs/dbraw/zinc/71/07/62/353710762.db2.gz VHZSNOQXMNHRPT-VXGBXAGGSA-N 2 2 285.413 -0.376 20 0 CBADLP O=C([C@@H]1CSC[NH2+]1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000372099460 353710882 /nfs/dbraw/zinc/71/08/82/353710882.db2.gz VAMACHVMIQIOTK-SRVKXCTJSA-N 2 2 285.413 -0.294 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH+]2CCCOCC2)C1 ZINC000373689523 353734964 /nfs/dbraw/zinc/73/49/64/353734964.db2.gz HQUYVMLXMPDBCR-ZDUSSCGKSA-N 2 2 285.388 -0.454 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)NCC[NH+]2CCCOCC2)C1 ZINC000373689523 353734968 /nfs/dbraw/zinc/73/49/68/353734968.db2.gz HQUYVMLXMPDBCR-ZDUSSCGKSA-N 2 2 285.388 -0.454 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)NCC[N@@H+]2CCCOCC2)C1 ZINC000373689523 353734970 /nfs/dbraw/zinc/73/49/70/353734970.db2.gz HQUYVMLXMPDBCR-ZDUSSCGKSA-N 2 2 285.388 -0.454 20 0 CBADLP C[C@@H](C(N)=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372370567 353715578 /nfs/dbraw/zinc/71/55/78/353715578.db2.gz RHZAOOBIHCVSNX-WCQYABFASA-N 2 2 268.405 -0.040 20 0 CBADLP C[C@@H](C(N)=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372370567 353715580 /nfs/dbraw/zinc/71/55/80/353715580.db2.gz RHZAOOBIHCVSNX-WCQYABFASA-N 2 2 268.405 -0.040 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH+]2CCCOCC2)C1 ZINC000373689522 353735076 /nfs/dbraw/zinc/73/50/76/353735076.db2.gz HQUYVMLXMPDBCR-CYBMUJFWSA-N 2 2 285.388 -0.454 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH+]2CCCOCC2)C1 ZINC000373689522 353735078 /nfs/dbraw/zinc/73/50/78/353735078.db2.gz HQUYVMLXMPDBCR-CYBMUJFWSA-N 2 2 285.388 -0.454 20 0 CBADLP CC[NH+]1CCO[C@@H](C(=O)NCC[N@@H+]2CCCOCC2)C1 ZINC000373689522 353735079 /nfs/dbraw/zinc/73/50/79/353735079.db2.gz HQUYVMLXMPDBCR-CYBMUJFWSA-N 2 2 285.388 -0.454 20 0 CBADLP COC(C[NH+]1CCC(N2CC[N@H+](C)CC2=O)CC1)OC ZINC000372550920 353718358 /nfs/dbraw/zinc/71/83/58/353718358.db2.gz FVWAXLYVLNDTNE-UHFFFAOYSA-N 2 2 285.388 -0.156 20 0 CBADLP COC(C[NH+]1CCC(N2CC[N@@H+](C)CC2=O)CC1)OC ZINC000372550920 353718360 /nfs/dbraw/zinc/71/83/60/353718360.db2.gz FVWAXLYVLNDTNE-UHFFFAOYSA-N 2 2 285.388 -0.156 20 0 CBADLP C[NH+](C)[C@H]1CCC[N@H+](CCNS(C)(=O)=O)CC1 ZINC000372989498 353725018 /nfs/dbraw/zinc/72/50/18/353725018.db2.gz IIQDHNWUJGKXJS-NSHDSACASA-N 2 2 263.407 -0.048 20 0 CBADLP C[NH+](C)[C@H]1CCC[N@@H+](CCNS(C)(=O)=O)CC1 ZINC000372989498 353725019 /nfs/dbraw/zinc/72/50/19/353725019.db2.gz IIQDHNWUJGKXJS-NSHDSACASA-N 2 2 263.407 -0.048 20 0 CBADLP C[C@H]1[NH2+]CCN(C(=O)c2n[nH]c3c2C[NH2+]CC3)[C@H]1C ZINC000373071431 353725643 /nfs/dbraw/zinc/72/56/43/353725643.db2.gz SGKMWRZSSQYVSL-BDAKNGLRSA-N 2 2 263.345 -0.122 20 0 CBADLP CCN(C)C(=O)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000374802723 353749102 /nfs/dbraw/zinc/74/91/02/353749102.db2.gz XFPLOZMGXIFCLG-UHFFFAOYSA-N 2 2 299.415 -0.376 20 0 CBADLP CCCNC(=O)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000374997900 353752000 /nfs/dbraw/zinc/75/20/00/353752000.db2.gz LGSOLOVRGWNJRQ-UHFFFAOYSA-N 2 2 299.415 -0.328 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@]3(CNC(=O)O3)C2)CC1 ZINC000375568639 353763629 /nfs/dbraw/zinc/76/36/29/353763629.db2.gz DTKUFIKPNNCSCM-AWEZNQCLSA-N 2 2 296.371 -0.665 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@]3(CNC(=O)O3)C2)CC1 ZINC000375568639 353763632 /nfs/dbraw/zinc/76/36/32/353763632.db2.gz DTKUFIKPNNCSCM-AWEZNQCLSA-N 2 2 296.371 -0.665 20 0 CBADLP C[NH2+]CC(=O)N1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000378208881 353780050 /nfs/dbraw/zinc/78/00/50/353780050.db2.gz ITXYOBHGWBDGJS-LLVKDONJSA-N 2 2 268.361 -0.981 20 0 CBADLP C[NH2+]C[C@@H](C)C(=O)N1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000378209734 353780064 /nfs/dbraw/zinc/78/00/64/353780064.db2.gz LCNGXEJZRRYRRA-CHWSQXEVSA-N 2 2 296.415 -0.345 20 0 CBADLP C[NH2+]C[C@H](C)C(=O)N1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000378209737 353780127 /nfs/dbraw/zinc/78/01/27/353780127.db2.gz LCNGXEJZRRYRRA-STQMWFEESA-N 2 2 296.415 -0.345 20 0 CBADLP C[C@@H]1C[C@H](O)C[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000401852322 353804214 /nfs/dbraw/zinc/80/42/14/353804214.db2.gz VIZYITFZZJNUKU-NEPJUHHUSA-N 2 2 255.362 -0.537 20 0 CBADLP C[C@@H]1C[C@H](O)C[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000401852322 353804216 /nfs/dbraw/zinc/80/42/16/353804216.db2.gz VIZYITFZZJNUKU-NEPJUHHUSA-N 2 2 255.362 -0.537 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC(F)(F)[C@H](CO)C1 ZINC000404043041 353805797 /nfs/dbraw/zinc/80/57/97/353805797.db2.gz VSARFGHRYJFPKO-NWDGAFQWSA-N 2 2 296.358 -0.125 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(F)(F)[C@H](CO)C1 ZINC000404043041 353805799 /nfs/dbraw/zinc/80/57/99/353805799.db2.gz VSARFGHRYJFPKO-NWDGAFQWSA-N 2 2 296.358 -0.125 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000404043041 353805802 /nfs/dbraw/zinc/80/58/02/353805802.db2.gz VSARFGHRYJFPKO-NWDGAFQWSA-N 2 2 296.358 -0.125 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000404043041 353805805 /nfs/dbraw/zinc/80/58/05/353805805.db2.gz VSARFGHRYJFPKO-NWDGAFQWSA-N 2 2 296.358 -0.125 20 0 CBADLP CN(Cc1[nH]cc[nH+]1)C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000408032310 353829943 /nfs/dbraw/zinc/82/99/43/353829943.db2.gz UXPBDZIXKSZIEH-LLVKDONJSA-N 2 2 263.345 -0.242 20 0 CBADLP CN(Cc1[nH]cc[nH+]1)C(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000408032310 353829947 /nfs/dbraw/zinc/82/99/47/353829947.db2.gz UXPBDZIXKSZIEH-LLVKDONJSA-N 2 2 263.345 -0.242 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)N2CC[NH+](CCO)[C@@H](C)C2)[N@H+](C)C1 ZINC000408047332 353836330 /nfs/dbraw/zinc/83/63/30/353836330.db2.gz POMFCWVHBVFMAK-AVGNSLFASA-N 2 2 285.388 -0.770 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)N2CC[NH+](CCO)[C@@H](C)C2)[N@@H+](C)C1 ZINC000408047332 353836331 /nfs/dbraw/zinc/83/63/31/353836331.db2.gz POMFCWVHBVFMAK-AVGNSLFASA-N 2 2 285.388 -0.770 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)[NH+](C)C1 ZINC000408047332 353836332 /nfs/dbraw/zinc/83/63/32/353836332.db2.gz POMFCWVHBVFMAK-AVGNSLFASA-N 2 2 285.388 -0.770 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)[NH+](C)C1 ZINC000408047332 353836333 /nfs/dbraw/zinc/83/63/33/353836333.db2.gz POMFCWVHBVFMAK-AVGNSLFASA-N 2 2 285.388 -0.770 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)N2CC[NH+](CCO)[C@H](C)C2)[N@H+](C)C1 ZINC000408047331 353836520 /nfs/dbraw/zinc/83/65/20/353836520.db2.gz POMFCWVHBVFMAK-AGIUHOORSA-N 2 2 285.388 -0.770 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)N2CC[NH+](CCO)[C@H](C)C2)[N@@H+](C)C1 ZINC000408047331 353836521 /nfs/dbraw/zinc/83/65/21/353836521.db2.gz POMFCWVHBVFMAK-AGIUHOORSA-N 2 2 285.388 -0.770 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)N2CC[N@H+](CCO)[C@H](C)C2)[NH+](C)C1 ZINC000408047331 353836523 /nfs/dbraw/zinc/83/65/23/353836523.db2.gz POMFCWVHBVFMAK-AGIUHOORSA-N 2 2 285.388 -0.770 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)[NH+](C)C1 ZINC000408047331 353836525 /nfs/dbraw/zinc/83/65/25/353836525.db2.gz POMFCWVHBVFMAK-AGIUHOORSA-N 2 2 285.388 -0.770 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](COC)C1 ZINC000386184231 353788268 /nfs/dbraw/zinc/78/82/68/353788268.db2.gz UPOGVBHWQLSSRJ-OLZOCXBDSA-N 2 2 260.378 -0.106 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](COC)C1 ZINC000386184231 353788269 /nfs/dbraw/zinc/78/82/69/353788269.db2.gz UPOGVBHWQLSSRJ-OLZOCXBDSA-N 2 2 260.378 -0.106 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](COC)C1 ZINC000386184231 353788270 /nfs/dbraw/zinc/78/82/70/353788270.db2.gz UPOGVBHWQLSSRJ-OLZOCXBDSA-N 2 2 260.378 -0.106 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](COC)C1 ZINC000386184231 353788271 /nfs/dbraw/zinc/78/82/71/353788271.db2.gz UPOGVBHWQLSSRJ-OLZOCXBDSA-N 2 2 260.378 -0.106 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1C[C@H](O)C(C)(C)C1 ZINC000387842027 353788797 /nfs/dbraw/zinc/78/87/97/353788797.db2.gz GHRPWXGZBCQGEY-NEPJUHHUSA-N 2 2 260.378 -0.372 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@H](O)C(C)(C)C1 ZINC000387842027 353788800 /nfs/dbraw/zinc/78/88/00/353788800.db2.gz GHRPWXGZBCQGEY-NEPJUHHUSA-N 2 2 260.378 -0.372 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000387842027 353788803 /nfs/dbraw/zinc/78/88/03/353788803.db2.gz GHRPWXGZBCQGEY-NEPJUHHUSA-N 2 2 260.378 -0.372 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1C[C@H](O)C(C)(C)C1 ZINC000387842027 353788806 /nfs/dbraw/zinc/78/88/06/353788806.db2.gz GHRPWXGZBCQGEY-NEPJUHHUSA-N 2 2 260.378 -0.372 20 0 CBADLP O=C(CCn1cc[nH+]c1)NC[C@@H]1C[NH2+]CCCO1 ZINC000389827595 353791046 /nfs/dbraw/zinc/79/10/46/353791046.db2.gz OZYGHLQADGHJJS-NSHDSACASA-N 2 2 252.318 -0.232 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000408148330 353858885 /nfs/dbraw/zinc/85/88/85/353858885.db2.gz BLIXFHPDBMRNKG-ZDUSSCGKSA-N 2 2 282.388 -0.639 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000408148330 353858886 /nfs/dbraw/zinc/85/88/86/353858886.db2.gz BLIXFHPDBMRNKG-ZDUSSCGKSA-N 2 2 282.388 -0.639 20 0 CBADLP COCC1(O)CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000408089369 353846803 /nfs/dbraw/zinc/84/68/03/353846803.db2.gz NBDJUMLXJXKINE-UHFFFAOYSA-N 2 2 285.388 -0.766 20 0 CBADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000408120902 353854109 /nfs/dbraw/zinc/85/41/09/353854109.db2.gz BALHPUOHJPUEPT-CYBMUJFWSA-N 2 2 296.415 -0.249 20 0 CBADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000408120902 353854111 /nfs/dbraw/zinc/85/41/11/353854111.db2.gz BALHPUOHJPUEPT-CYBMUJFWSA-N 2 2 296.415 -0.249 20 0 CBADLP CCNC(=O)C[NH+]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000408120902 353854113 /nfs/dbraw/zinc/85/41/13/353854113.db2.gz BALHPUOHJPUEPT-CYBMUJFWSA-N 2 2 296.415 -0.249 20 0 CBADLP CCNC(=O)C[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000408120902 353854116 /nfs/dbraw/zinc/85/41/16/353854116.db2.gz BALHPUOHJPUEPT-CYBMUJFWSA-N 2 2 296.415 -0.249 20 0 CBADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000408373993 353906947 /nfs/dbraw/zinc/90/69/47/353906947.db2.gz IXEMCWMABCUNGG-STQMWFEESA-N 2 2 292.383 -0.030 20 0 CBADLP C[C@@H](C(=O)N1CC[N@H+](CCO)[C@@H](C)C1)N1CC[NH+](C)CC1 ZINC000408376608 353907370 /nfs/dbraw/zinc/90/73/70/353907370.db2.gz NULAWWXZUIEVKU-KBPBESRZSA-N 2 2 298.431 -0.853 20 0 CBADLP C[C@@H](C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1)N1CC[NH+](C)CC1 ZINC000408376608 353907374 /nfs/dbraw/zinc/90/73/74/353907374.db2.gz NULAWWXZUIEVKU-KBPBESRZSA-N 2 2 298.431 -0.853 20 0 CBADLP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000410477404 353929550 /nfs/dbraw/zinc/92/95/50/353929550.db2.gz UAPHAAPDJGGFMA-GFCCVEGCSA-N 2 2 282.388 -0.687 20 0 CBADLP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000410477404 353929553 /nfs/dbraw/zinc/92/95/53/353929553.db2.gz UAPHAAPDJGGFMA-GFCCVEGCSA-N 2 2 282.388 -0.687 20 0 CBADLP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000410913657 353938557 /nfs/dbraw/zinc/93/85/57/353938557.db2.gz JKAFJENENZYUSG-UHFFFAOYSA-N 2 2 282.388 -0.687 20 0 CBADLP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000410913657 353938559 /nfs/dbraw/zinc/93/85/59/353938559.db2.gz JKAFJENENZYUSG-UHFFFAOYSA-N 2 2 282.388 -0.687 20 0 CBADLP CN(CC(C)(C)C[NH3+])C(=O)NCC[NH+]1CCOCC1 ZINC000416432159 353968695 /nfs/dbraw/zinc/96/86/95/353968695.db2.gz JQZHGQUMZPBAGA-UHFFFAOYSA-N 2 2 272.393 -0.055 20 0 CBADLP C[C@@H]1C[NH2+]CCN1C(=O)NCC[NH+]1CCOCC1 ZINC000416431020 353969287 /nfs/dbraw/zinc/96/92/87/353969287.db2.gz GGYFRBBPSKHFCN-LLVKDONJSA-N 2 2 256.350 -0.678 20 0 CBADLP C[C@H]1CN(C(=O)NCC[NH+]2CCOCC2)CC[NH2+]1 ZINC000416434580 353969864 /nfs/dbraw/zinc/96/98/64/353969864.db2.gz VHSYSVHNZNSULC-NSHDSACASA-N 2 2 256.350 -0.678 20 0 CBADLP CCC[NH2+]CCNC(=O)NCC[NH+]1CCOCC1 ZINC000416435626 353969982 /nfs/dbraw/zinc/96/99/82/353969982.db2.gz GCZCBIPUWMTKOM-UHFFFAOYSA-N 2 2 258.366 -0.383 20 0 CBADLP CC(C)(CNC(=O)NCCC[NH3+])[NH+]1CCOCC1 ZINC000416831714 353974051 /nfs/dbraw/zinc/97/40/51/353974051.db2.gz TTYYBAZSAOTYRR-UHFFFAOYSA-N 2 2 258.366 -0.255 20 0 CBADLP CC(C)[C@@H]([NH3+])CNC(=O)N(C)CC[NH+]1CCOCC1 ZINC000418416042 353997046 /nfs/dbraw/zinc/99/70/46/353997046.db2.gz VCYOMIYZKNOPDQ-LBPRGKRZSA-N 2 2 272.393 -0.057 20 0 CBADLP CC[C@@H]([NH3+])CNC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000417040774 353975606 /nfs/dbraw/zinc/97/56/06/353975606.db2.gz VVGIBIUFKLRCQA-GHMZBOCLSA-N 2 2 258.366 -0.256 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000417040787 353975662 /nfs/dbraw/zinc/97/56/62/353975662.db2.gz VWUSRBVPGKMXEI-ZJUUUORDSA-N 2 2 294.346 -0.011 20 0 CBADLP C[C@H](C[NH3+])NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000417499231 353977258 /nfs/dbraw/zinc/97/72/58/353977258.db2.gz FNIXMCREQWLDLW-SNVBAGLBSA-N 2 2 258.366 -0.256 20 0 CBADLP C[C@H](C[NH3+])NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000417499231 353977260 /nfs/dbraw/zinc/97/72/60/353977260.db2.gz FNIXMCREQWLDLW-SNVBAGLBSA-N 2 2 258.366 -0.256 20 0 CBADLP CC(C)[C@@H]([NH3+])CNC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000417526178 353978841 /nfs/dbraw/zinc/97/88/41/353978841.db2.gz MEYHXIZHNHMNTR-NEPJUHHUSA-N 2 2 272.393 -0.010 20 0 CBADLP CC(C)[C@@H]([NH3+])CNC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000417526178 353978842 /nfs/dbraw/zinc/97/88/42/353978842.db2.gz MEYHXIZHNHMNTR-NEPJUHHUSA-N 2 2 272.393 -0.010 20 0 CBADLP C[NH2+]CCCNC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000417521927 353978897 /nfs/dbraw/zinc/97/88/97/353978897.db2.gz FNEIIULNSZTLCY-LLVKDONJSA-N 2 2 258.366 -0.384 20 0 CBADLP C[NH2+]CCCNC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000417521927 353978899 /nfs/dbraw/zinc/97/88/99/353978899.db2.gz FNEIIULNSZTLCY-LLVKDONJSA-N 2 2 258.366 -0.384 20 0 CBADLP CC(C)[C@@H]([NH3+])CNC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000417526180 353978903 /nfs/dbraw/zinc/97/89/03/353978903.db2.gz MEYHXIZHNHMNTR-RYUDHWBXSA-N 2 2 272.393 -0.010 20 0 CBADLP CC(C)[C@@H]([NH3+])CNC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000417526180 353978905 /nfs/dbraw/zinc/97/89/05/353978905.db2.gz MEYHXIZHNHMNTR-RYUDHWBXSA-N 2 2 272.393 -0.010 20 0 CBADLP C[C@H](NC(=O)NCC(F)(F)C[NH3+])[C@H](C)[NH+]1CCOCC1 ZINC000417516027 353979003 /nfs/dbraw/zinc/97/90/03/353979003.db2.gz FTTKWTGNANOURH-UWVGGRQHSA-N 2 2 294.346 -0.011 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@H](CC[NH3+])C(F)F ZINC000417500394 353979028 /nfs/dbraw/zinc/97/90/28/353979028.db2.gz GCRPFFRTZCCHMP-NXEZZACHSA-N 2 2 294.346 -0.011 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N[C@H](CC[NH3+])C(F)F ZINC000417500394 353979029 /nfs/dbraw/zinc/97/90/29/353979029.db2.gz GCRPFFRTZCCHMP-NXEZZACHSA-N 2 2 294.346 -0.011 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000417533738 353979980 /nfs/dbraw/zinc/97/99/80/353979980.db2.gz YEUYVTAGDDJNFQ-PWSUYJOCSA-N 2 2 270.377 -0.256 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000417533738 353979981 /nfs/dbraw/zinc/97/99/81/353979981.db2.gz YEUYVTAGDDJNFQ-PWSUYJOCSA-N 2 2 270.377 -0.256 20 0 CBADLP C[C@H](CC[NH3+])NC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000417534118 353980210 /nfs/dbraw/zinc/98/02/10/353980210.db2.gz YMZAUGIPEHSIDB-MNOVXSKESA-N 2 2 258.366 -0.256 20 0 CBADLP C[C@H](CC[NH3+])NC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000417534118 353980212 /nfs/dbraw/zinc/98/02/12/353980212.db2.gz YMZAUGIPEHSIDB-MNOVXSKESA-N 2 2 258.366 -0.256 20 0 CBADLP C[C@H](CNC(=O)NCC(F)(F)C[NH3+])C[NH+]1CCOCC1 ZINC000417735811 353981922 /nfs/dbraw/zinc/98/19/22/353981922.db2.gz WJHDYSUONGQBEX-SNVBAGLBSA-N 2 2 294.346 -0.152 20 0 CBADLP C[C@@H](C[NH3+])CNC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000418462742 353997667 /nfs/dbraw/zinc/99/76/67/353997667.db2.gz BSKXVBLBFZYOFH-RYUDHWBXSA-N 2 2 272.393 -0.057 20 0 CBADLP [NH3+]CCNC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000418292344 353991218 /nfs/dbraw/zinc/99/12/18/353991218.db2.gz BUIKNNKJKQEZEL-GFCCVEGCSA-N 2 2 270.377 -0.159 20 0 CBADLP COC(=O)[C@@H]1CN(C(=O)C[NH+](C)C)CC[N@H+](C)C1 ZINC000413928764 353960935 /nfs/dbraw/zinc/96/09/35/353960935.db2.gz ZGXIMHMLBDTEAU-JTQLQIEISA-N 2 2 257.334 -0.889 20 0 CBADLP COC(=O)[C@@H]1CN(C(=O)C[NH+](C)C)CC[N@@H+](C)C1 ZINC000413928764 353960938 /nfs/dbraw/zinc/96/09/38/353960938.db2.gz ZGXIMHMLBDTEAU-JTQLQIEISA-N 2 2 257.334 -0.889 20 0 CBADLP c1cnc(N2CCN(CC[NH2+][C@H]3CCC[NH2+]C3)CC2)nc1 ZINC000415091194 353963212 /nfs/dbraw/zinc/96/32/12/353963212.db2.gz PWIRIDBBGNDVHS-AWEZNQCLSA-N 2 2 290.415 -0.060 20 0 CBADLP c1cnc(N2CC[NH+](CCN[C@H]3CCC[NH2+]C3)CC2)nc1 ZINC000415091194 353963215 /nfs/dbraw/zinc/96/32/15/353963215.db2.gz PWIRIDBBGNDVHS-AWEZNQCLSA-N 2 2 290.415 -0.060 20 0 CBADLP CC[C@H]1C[N@H+](CCNC(=O)NC[C@@H](C)C[NH3+])CCO1 ZINC000418479400 353998775 /nfs/dbraw/zinc/99/87/75/353998775.db2.gz YRVGQBYQHZQHDV-RYUDHWBXSA-N 2 2 272.393 -0.009 20 0 CBADLP CC[C@H]1C[N@@H+](CCNC(=O)NC[C@@H](C)C[NH3+])CCO1 ZINC000418479400 353998776 /nfs/dbraw/zinc/99/87/76/353998776.db2.gz YRVGQBYQHZQHDV-RYUDHWBXSA-N 2 2 272.393 -0.009 20 0 CBADLP C[C@@H]1C[N@H+](CCO)CCN1C(=O)NCC(F)(F)C[NH3+] ZINC000418517965 354000863 /nfs/dbraw/zinc/00/08/63/354000863.db2.gz WJTAGJCDKALWJX-SECBINFHSA-N 2 2 280.319 -0.712 20 0 CBADLP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NCC(F)(F)C[NH3+] ZINC000418517965 354000866 /nfs/dbraw/zinc/00/08/66/354000866.db2.gz WJTAGJCDKALWJX-SECBINFHSA-N 2 2 280.319 -0.712 20 0 CBADLP CC[C@H]([NH3+])CNC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000418737520 354006433 /nfs/dbraw/zinc/00/64/33/354006433.db2.gz VSPHZHJYYMWUNG-SDDRHHMPSA-N 2 2 270.377 -0.114 20 0 CBADLP CC[C@H]([NH3+])CNC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000418737520 354006436 /nfs/dbraw/zinc/00/64/36/354006436.db2.gz VSPHZHJYYMWUNG-SDDRHHMPSA-N 2 2 270.377 -0.114 20 0 CBADLP C[C@H](C[NH3+])N(C)C(=O)C(=O)NCCCNc1cccc[nH+]1 ZINC000419644866 354067249 /nfs/dbraw/zinc/06/72/49/354067249.db2.gz JSKGIDGSAPUAHP-LLVKDONJSA-N 2 2 293.371 -0.195 20 0 CBADLP C[C@H](C[NH3+])CNC(=O)C(=O)NCCCNc1cccc[nH+]1 ZINC000419651929 354067392 /nfs/dbraw/zinc/06/73/92/354067392.db2.gz PRQQITDSUVZRLS-LLVKDONJSA-N 2 2 293.371 -0.289 20 0 CBADLP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000419955113 354096254 /nfs/dbraw/zinc/09/62/54/354096254.db2.gz NATHXJRMKNSUHN-LBPRGKRZSA-N 2 2 296.415 -0.217 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)NC[C@H]([NH3+])C(C)C)CC1 ZINC000420013962 354102059 /nfs/dbraw/zinc/10/20/59/354102059.db2.gz KCAIIFFEVLTHSK-NSHDSACASA-N 2 2 270.377 -0.750 20 0 CBADLP [NH3+]C[C@H](NC(=O)C(=O)N1CC[NH+](C2CC2)CC1)C1CC1 ZINC000420024968 354104060 /nfs/dbraw/zinc/10/40/60/354104060.db2.gz ASUVTWHZYZLISC-LBPRGKRZSA-N 2 2 280.372 -0.854 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)NCC2(C)CC[NH2+]CC2)CC1 ZINC000420083191 354108579 /nfs/dbraw/zinc/10/85/79/354108579.db2.gz KVSAWQOGGZEDAX-UHFFFAOYSA-N 2 2 296.415 -0.344 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000420296268 354121562 /nfs/dbraw/zinc/12/15/62/354121562.db2.gz WZSAXZIDQNYQLO-KGLIPLIRSA-N 3 2 280.416 -0.023 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000420296268 354121564 /nfs/dbraw/zinc/12/15/64/354121564.db2.gz WZSAXZIDQNYQLO-KGLIPLIRSA-N 3 2 280.416 -0.023 20 0 CBADLP COC(=O)C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000420317292 354123059 /nfs/dbraw/zinc/12/30/59/354123059.db2.gz ZHMWABHYQAUNMQ-SNVBAGLBSA-N 2 2 255.318 -0.944 20 0 CBADLP COC(=O)C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000420317292 354123060 /nfs/dbraw/zinc/12/30/60/354123060.db2.gz ZHMWABHYQAUNMQ-SNVBAGLBSA-N 2 2 255.318 -0.944 20 0 CBADLP COC(=O)CC[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000420306383 354123285 /nfs/dbraw/zinc/12/32/85/354123285.db2.gz KVZFMQDIGQAVHK-NSHDSACASA-N 2 2 269.345 -0.554 20 0 CBADLP COC(=O)CC[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000420306383 354123287 /nfs/dbraw/zinc/12/32/87/354123287.db2.gz KVZFMQDIGQAVHK-NSHDSACASA-N 2 2 269.345 -0.554 20 0 CBADLP C[C@H]1CC[N@H+](CCC(=O)N2CC[NH2+]CC2)[C@H](C[NH3+])C1 ZINC000420333989 354124088 /nfs/dbraw/zinc/12/40/88/354124088.db2.gz KOXOQZAQMSYFEX-STQMWFEESA-N 3 2 268.405 -0.133 20 0 CBADLP C[C@H]1CC[N@@H+](CCC(=O)N2CC[NH2+]CC2)[C@H](C[NH3+])C1 ZINC000420333989 354124092 /nfs/dbraw/zinc/12/40/92/354124092.db2.gz KOXOQZAQMSYFEX-STQMWFEESA-N 3 2 268.405 -0.133 20 0 CBADLP COC[C@H](C)NC(=O)NC(=O)C[N@H+](C)C1CC([NH3+])C1 ZINC000420345150 354124286 /nfs/dbraw/zinc/12/42/86/354124286.db2.gz ZCCLSIZBKFVFHE-IDKOKCKLSA-N 2 2 272.349 -0.731 20 0 CBADLP COC[C@H](C)NC(=O)NC(=O)C[N@@H+](C)C1CC([NH3+])C1 ZINC000420345150 354124290 /nfs/dbraw/zinc/12/42/90/354124290.db2.gz ZCCLSIZBKFVFHE-IDKOKCKLSA-N 2 2 272.349 -0.731 20 0 CBADLP [NH3+]C[C@H]([NH2+]CC(=O)N1CCNC(=O)C1)C1CCCCC1 ZINC000420363478 354125829 /nfs/dbraw/zinc/12/58/29/354125829.db2.gz PFYQCTBOMNQIAB-LBPRGKRZSA-N 2 2 282.388 -0.558 20 0 CBADLP CC(C)CN1CC[N@H+](CCN2CC[NH2+]CC2)CC1=O ZINC000420358563 354125852 /nfs/dbraw/zinc/12/58/52/354125852.db2.gz JQIXXQRYDCWUAJ-UHFFFAOYSA-N 2 2 268.405 -0.308 20 0 CBADLP CC(C)CN1CC[N@@H+](CCN2CC[NH2+]CC2)CC1=O ZINC000420358563 354125855 /nfs/dbraw/zinc/12/58/55/354125855.db2.gz JQIXXQRYDCWUAJ-UHFFFAOYSA-N 2 2 268.405 -0.308 20 0 CBADLP COC(=O)CCNC(=O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000420380685 354126316 /nfs/dbraw/zinc/12/63/16/354126316.db2.gz YPDAODNSVMWCCL-GIPNMCIBSA-N 2 2 271.361 -0.358 20 0 CBADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CC(=O)N1CCOCC1 ZINC000420379115 354127021 /nfs/dbraw/zinc/12/70/21/354127021.db2.gz XKIKRQJFTTVCRH-NQBHXWOUSA-N 2 2 255.362 -0.179 20 0 CBADLP C[NH2+]CCC[N@H+](C)CC(=O)NC(=O)NCC(F)(F)F ZINC000420393656 354127091 /nfs/dbraw/zinc/12/70/91/354127091.db2.gz YKQRJMTWUUVJTD-UHFFFAOYSA-N 2 2 284.282 -0.084 20 0 CBADLP C[NH2+]CCC[N@@H+](C)CC(=O)NC(=O)NCC(F)(F)F ZINC000420393656 354127093 /nfs/dbraw/zinc/12/70/93/354127093.db2.gz YKQRJMTWUUVJTD-UHFFFAOYSA-N 2 2 284.282 -0.084 20 0 CBADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1N[C@H]1C[NH2+]CCC1(F)F ZINC000423491861 354177736 /nfs/dbraw/zinc/17/77/36/354177736.db2.gz ZTPLWEOTGJEIAO-LPEHRKFASA-N 2 2 277.315 -0.133 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@@]2(COC)CC[NH2+]C2)CC1 ZINC000423307758 354168643 /nfs/dbraw/zinc/16/86/43/354168643.db2.gz WNWQWFVZYJLJKA-AWEZNQCLSA-N 2 2 285.388 -0.597 20 0 CBADLP COC[C@]1(C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)CC[NH2+]C1 ZINC000423374133 354172785 /nfs/dbraw/zinc/17/27/85/354172785.db2.gz HUXFXBJLVNPNLS-GUTXKFCHSA-N 2 2 299.415 -0.162 20 0 CBADLP C[C@@H]1CC[NH2+][C@@H](C(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)C1 ZINC000423427535 354175705 /nfs/dbraw/zinc/17/57/05/354175705.db2.gz FVTXPNBGQKEAMG-VXGBXAGGSA-N 2 2 296.415 -0.217 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H](C(=O)NC)C2)CC1 ZINC000420971823 354139226 /nfs/dbraw/zinc/13/92/26/354139226.db2.gz IPICHGIBZZKGAG-STQMWFEESA-N 2 2 296.415 -0.393 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H](C(=O)NC)C2)CC1 ZINC000420971823 354139228 /nfs/dbraw/zinc/13/92/28/354139228.db2.gz IPICHGIBZZKGAG-STQMWFEESA-N 2 2 296.415 -0.393 20 0 CBADLP C[C@@H]1C[C@@H](C)[N@H+](CC(=O)N2CCNC(=O)C2)C[C@H]1C[NH3+] ZINC000422637810 354150796 /nfs/dbraw/zinc/15/07/96/354150796.db2.gz PHTHCNURAKLXHT-IJLUTSLNSA-N 2 2 282.388 -0.750 20 0 CBADLP C[C@@H]1C[C@@H](C)[N@@H+](CC(=O)N2CCNC(=O)C2)C[C@H]1C[NH3+] ZINC000422637810 354150799 /nfs/dbraw/zinc/15/07/99/354150799.db2.gz PHTHCNURAKLXHT-IJLUTSLNSA-N 2 2 282.388 -0.750 20 0 CBADLP C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)[C@@H]1CCC[NH2+]1 ZINC000422709500 354151382 /nfs/dbraw/zinc/15/13/82/354151382.db2.gz DRVCTDHIQRDSBT-OLZOCXBDSA-N 3 2 268.405 -0.119 20 0 CBADLP C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)[C@@H]1CCC[NH2+]1 ZINC000422709502 354151963 /nfs/dbraw/zinc/15/19/63/354151963.db2.gz DRVCTDHIQRDSBT-STQMWFEESA-N 3 2 268.405 -0.119 20 0 CBADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCCN1CC[NH2+]CC1 ZINC000422732590 354152544 /nfs/dbraw/zinc/15/25/44/354152544.db2.gz AAQHYUVYQVGACZ-CQSZACIVSA-N 2 2 298.431 -0.491 20 0 CBADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NCCN1CC[NH2+]CC1 ZINC000422732590 354152547 /nfs/dbraw/zinc/15/25/47/354152547.db2.gz AAQHYUVYQVGACZ-CQSZACIVSA-N 2 2 298.431 -0.491 20 0 CBADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NCCN1CC[NH2+]CC1 ZINC000422732586 354152626 /nfs/dbraw/zinc/15/26/26/354152626.db2.gz AAQHYUVYQVGACZ-AWEZNQCLSA-N 2 2 298.431 -0.491 20 0 CBADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NCCN1CC[NH2+]CC1 ZINC000422732586 354152629 /nfs/dbraw/zinc/15/26/29/354152629.db2.gz AAQHYUVYQVGACZ-AWEZNQCLSA-N 2 2 298.431 -0.491 20 0 CBADLP CC(C)C[C@H](C[NH3+])NC(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000422837495 354155812 /nfs/dbraw/zinc/15/58/12/354155812.db2.gz USQFWUGHMRWYHZ-GFCCVEGCSA-N 2 2 286.420 -0.068 20 0 CBADLP CC(C)C[C@H](C[NH3+])NC(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000422837495 354155817 /nfs/dbraw/zinc/15/58/17/354155817.db2.gz USQFWUGHMRWYHZ-GFCCVEGCSA-N 2 2 286.420 -0.068 20 0 CBADLP CC(C)NS(=O)(=O)CC[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000422941400 354157712 /nfs/dbraw/zinc/15/77/12/354157712.db2.gz HZTSINBQPHUCCZ-GHMZBOCLSA-N 2 2 263.407 -0.098 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)CC1 ZINC000422980874 354159708 /nfs/dbraw/zinc/15/97/08/354159708.db2.gz RKTSQHXFJOEULQ-CHWSQXEVSA-N 2 2 296.415 -0.406 20 0 CBADLP C[NH2+]CCCN(C)C(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000423066417 354161231 /nfs/dbraw/zinc/16/12/31/354161231.db2.gz DMJOUNWFPBTNHM-UHFFFAOYSA-N 2 2 282.388 -0.639 20 0 CBADLP C[C@H]1CN(C(=O)C(=O)N2CC[NH+](C3CC3)CC2)CC[NH2+]1 ZINC000423073874 354162729 /nfs/dbraw/zinc/16/27/29/354162729.db2.gz SIRXMAGDGJVPRQ-NSHDSACASA-N 2 2 280.372 -0.887 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)CC1 ZINC000423623838 354185772 /nfs/dbraw/zinc/18/57/72/354185772.db2.gz CICBSZIABABGSN-RYUDHWBXSA-N 2 2 282.388 -0.641 20 0 CBADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423665653 354190381 /nfs/dbraw/zinc/19/03/81/354190381.db2.gz KEKGFUKFTFXTSW-QNWHQSFQSA-N 2 2 267.373 -0.179 20 0 CBADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423665653 354190384 /nfs/dbraw/zinc/19/03/84/354190384.db2.gz KEKGFUKFTFXTSW-QNWHQSFQSA-N 2 2 267.373 -0.179 20 0 CBADLP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2CC[NH2+][C@H](C)C2)CC1 ZINC000423682748 354190859 /nfs/dbraw/zinc/19/08/59/354190859.db2.gz PCCBGCLFMWKZCS-OLZOCXBDSA-N 2 2 296.415 -0.251 20 0 CBADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH2+]C(C)(C)C2)C[C@H](C)[N@H+]1C ZINC000423716768 354193662 /nfs/dbraw/zinc/19/36/62/354193662.db2.gz YFHSOBJVCZWEES-TXEJJXNPSA-N 2 2 296.415 -0.252 20 0 CBADLP C[C@@H]1CN(C(=O)C(=O)N2CC[NH2+]C(C)(C)C2)C[C@H](C)[N@@H+]1C ZINC000423716768 354193667 /nfs/dbraw/zinc/19/36/67/354193667.db2.gz YFHSOBJVCZWEES-TXEJJXNPSA-N 2 2 296.415 -0.252 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)[C@@]1(C)CC[NH2+]C1 ZINC000423738292 354195694 /nfs/dbraw/zinc/19/56/94/354195694.db2.gz GGMIYHJSINBLAZ-ZDUSSCGKSA-N 2 2 255.362 -0.223 20 0 CBADLP COCC[C@]1(C(=O)N(C)CC[NH+]2CCOCC2)CC[NH2+]C1 ZINC000423750113 354196862 /nfs/dbraw/zinc/19/68/62/354196862.db2.gz SMHSIGDWGORNHD-OAHLLOKOSA-N 2 2 299.415 -0.207 20 0 CBADLP CC[C@H]([NH3+])C(=O)N(CC[NH+]1CCOCC1)CC(=O)OC ZINC000423755179 354197175 /nfs/dbraw/zinc/19/71/75/354197175.db2.gz JCGUCCPNHUFZAI-NSHDSACASA-N 2 2 287.360 -0.943 20 0 CBADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CC[NH+]2CCC1CC2 ZINC000423759322 354198276 /nfs/dbraw/zinc/19/82/76/354198276.db2.gz OPGUHFCHZVXCOO-PWSUYJOCSA-N 2 2 253.346 -0.330 20 0 CBADLP CO[C@H](C[NH3+])C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000423763290 354198790 /nfs/dbraw/zinc/19/87/90/354198790.db2.gz PNPIMNNQHFBDDI-GRYCIOLGSA-N 2 2 273.377 -0.472 20 0 CBADLP CO[C@H](C[NH3+])C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000423763290 354198794 /nfs/dbraw/zinc/19/87/94/354198794.db2.gz PNPIMNNQHFBDDI-GRYCIOLGSA-N 2 2 273.377 -0.472 20 0 CBADLP C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)COC2C[NH2+]C2)C1 ZINC000423884114 354204440 /nfs/dbraw/zinc/20/44/40/354204440.db2.gz YINKSWAFBGUNFQ-AWEZNQCLSA-N 2 2 297.399 -0.456 20 0 CBADLP C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)COC2C[NH2+]C2)C1 ZINC000423884114 354204442 /nfs/dbraw/zinc/20/44/42/354204442.db2.gz YINKSWAFBGUNFQ-AWEZNQCLSA-N 2 2 297.399 -0.456 20 0 CBADLP COC[C@]1(C(=O)NC[C@H]2CC[NH2+]CC2(F)F)CC[NH2+]C1 ZINC000424193829 354217806 /nfs/dbraw/zinc/21/78/06/354217806.db2.gz RHZYLCFIHPDRHG-PWSUYJOCSA-N 2 2 291.342 -0.027 20 0 CBADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H]2C[NH2+]CCO2)C[C@H]1C ZINC000423906084 354205442 /nfs/dbraw/zinc/20/54/42/354205442.db2.gz ZWKUAWOWUISBAY-NEPJUHHUSA-N 2 2 299.371 -0.929 20 0 CBADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H]2C[NH2+]CCO2)C[C@H]1C ZINC000423906084 354205444 /nfs/dbraw/zinc/20/54/44/354205444.db2.gz ZWKUAWOWUISBAY-NEPJUHHUSA-N 2 2 299.371 -0.929 20 0 CBADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000424136341 354210591 /nfs/dbraw/zinc/21/05/91/354210591.db2.gz NUEMADYOBCIQKC-JLLWLGSASA-N 2 2 280.372 -0.855 20 0 CBADLP COC[C@]1(C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)CC[NH2+]C1 ZINC000424193825 354218240 /nfs/dbraw/zinc/21/82/40/354218240.db2.gz RHZYLCFIHPDRHG-JQWIXIFHSA-N 2 2 291.342 -0.027 20 0 CBADLP Cn1cc[nH+]c1CN1CCN(C(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000424172999 354214063 /nfs/dbraw/zinc/21/40/63/354214063.db2.gz KXSFJKDDPDJFBU-GFCCVEGCSA-N 2 2 293.371 -0.947 20 0 CBADLP O=C(CCOC1C[NH2+]C1)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424174091 354215246 /nfs/dbraw/zinc/21/52/46/354215246.db2.gz FJRIINNPOUCNNW-VIFPVBQESA-N 2 2 277.315 -0.274 20 0 CBADLP O=C(CCOC1C[NH2+]C1)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424174090 354215791 /nfs/dbraw/zinc/21/57/91/354215791.db2.gz FJRIINNPOUCNNW-SECBINFHSA-N 2 2 277.315 -0.274 20 0 CBADLP C[C@@H]1C[C@@H](N(C)C(=O)CN2CC[NH2+]CC2=O)CC[N@@H+]1C ZINC000430793511 354250430 /nfs/dbraw/zinc/25/04/30/354250430.db2.gz LVQZKEWFFVHSES-NEPJUHHUSA-N 2 2 282.388 -0.641 20 0 CBADLP C[C@@H]1C[C@@H](N(C)C(=O)CN2CC[NH2+]CC2=O)CC[N@H+]1C ZINC000430793511 354250434 /nfs/dbraw/zinc/25/04/34/354250434.db2.gz LVQZKEWFFVHSES-NEPJUHHUSA-N 2 2 282.388 -0.641 20 0 CBADLP CNS(=O)(=O)CCC[N@@H+]1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000430586641 354250755 /nfs/dbraw/zinc/25/07/55/354250755.db2.gz WQHPPBBMAWXZSJ-QWRGUYRKSA-N 2 2 263.407 -0.015 20 0 CBADLP CNS(=O)(=O)CCC[N@H+]1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000430586641 354250757 /nfs/dbraw/zinc/25/07/57/354250757.db2.gz WQHPPBBMAWXZSJ-QWRGUYRKSA-N 2 2 263.407 -0.015 20 0 CBADLP Cn1cc(N2CC[C@@H]([N@@H+]3CC[C@@H](C[NH3+])C3)C2=O)cn1 ZINC000430917226 354250908 /nfs/dbraw/zinc/25/09/08/354250908.db2.gz JIKXLERIAMNBTJ-CMPLNLGQSA-N 2 2 263.345 -0.194 20 0 CBADLP Cn1cc(N2CC[C@@H]([N@H+]3CC[C@@H](C[NH3+])C3)C2=O)cn1 ZINC000430917226 354250912 /nfs/dbraw/zinc/25/09/12/354250912.db2.gz JIKXLERIAMNBTJ-CMPLNLGQSA-N 2 2 263.345 -0.194 20 0 CBADLP C[C@H]1C[N@@H+](C2CCN(C(=O)[C@H]3COCC[NH2+]3)CC2)CCO1 ZINC000431069075 354251844 /nfs/dbraw/zinc/25/18/44/354251844.db2.gz ZXYCAAIULQYTGK-GXTWGEPZSA-N 2 2 297.399 -0.314 20 0 CBADLP C[C@H]1C[N@H+](C2CCN(C(=O)[C@H]3COCC[NH2+]3)CC2)CCO1 ZINC000431069075 354251845 /nfs/dbraw/zinc/25/18/45/354251845.db2.gz ZXYCAAIULQYTGK-GXTWGEPZSA-N 2 2 297.399 -0.314 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000444177034 354262970 /nfs/dbraw/zinc/26/29/70/354262970.db2.gz SGNQCZCZBMSLRR-MBNYWOFBSA-N 2 2 267.373 -0.177 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000444177034 354262971 /nfs/dbraw/zinc/26/29/71/354262971.db2.gz SGNQCZCZBMSLRR-MBNYWOFBSA-N 2 2 267.373 -0.177 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)c1c[nH+]ccc1N ZINC000444172883 354263064 /nfs/dbraw/zinc/26/30/64/354263064.db2.gz BJTJWDDXPRNRBU-SNVBAGLBSA-N 2 2 264.329 -0.055 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)c1c[nH+]ccc1N ZINC000444172883 354263065 /nfs/dbraw/zinc/26/30/65/354263065.db2.gz BJTJWDDXPRNRBU-SNVBAGLBSA-N 2 2 264.329 -0.055 20 0 CBADLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])C(=O)N(C)CC(=O)NC1CC1 ZINC000424332066 354222923 /nfs/dbraw/zinc/22/29/23/354222923.db2.gz KPRNSPISMZYHQV-RAIGVLPGSA-N 2 2 296.415 -0.029 20 0 CBADLP CO[C@H](C[NH3+])CC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000447440068 354298383 /nfs/dbraw/zinc/29/83/83/354298383.db2.gz LXAPATYWCGOKLD-QWRGUYRKSA-N 2 2 259.350 -0.813 20 0 CBADLP CO[C@H](C[NH3+])CC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000447440068 354298386 /nfs/dbraw/zinc/29/83/86/354298386.db2.gz LXAPATYWCGOKLD-QWRGUYRKSA-N 2 2 259.350 -0.813 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@@H](CO)[C@@H]2CCCO2)CC1 ZINC000447908392 354307248 /nfs/dbraw/zinc/30/72/48/354307248.db2.gz BNYGRRRXWWBZQS-IHRRRGAJSA-N 2 2 299.415 -0.332 20 0 CBADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000444272116 354267842 /nfs/dbraw/zinc/26/78/42/354267842.db2.gz VYHLJDZJBXMVGC-NFAWXSAZSA-N 2 2 280.416 -0.262 20 0 CBADLP C[C@H]([NH2+]C1CC1)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000449112645 354318432 /nfs/dbraw/zinc/31/84/32/354318432.db2.gz DHNHGTYUAMHFRF-NSHDSACASA-N 2 2 255.362 -0.083 20 0 CBADLP C[C@H]([NH2+]C1CC1)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000449116185 354318534 /nfs/dbraw/zinc/31/85/34/354318534.db2.gz KIWMQVNRTUXMMN-QWRGUYRKSA-N 2 2 255.362 -0.036 20 0 CBADLP C[C@H]([NH2+]C1CC1)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000449116185 354318538 /nfs/dbraw/zinc/31/85/38/354318538.db2.gz KIWMQVNRTUXMMN-QWRGUYRKSA-N 2 2 255.362 -0.036 20 0 CBADLP C[C@H]([NH2+]C1CC1)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000449116184 354319021 /nfs/dbraw/zinc/31/90/21/354319021.db2.gz KIWMQVNRTUXMMN-MNOVXSKESA-N 2 2 255.362 -0.036 20 0 CBADLP C[C@H]([NH2+]C1CC1)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000449116184 354319023 /nfs/dbraw/zinc/31/90/23/354319023.db2.gz KIWMQVNRTUXMMN-MNOVXSKESA-N 2 2 255.362 -0.036 20 0 CBADLP C[NH2+]Cc1ccc(NC(=O)CN2CC[NH2+]CC2=O)cc1 ZINC000449619290 354320547 /nfs/dbraw/zinc/32/05/47/354320547.db2.gz OKTPZSBMCJQOES-UHFFFAOYSA-N 2 2 276.340 -0.224 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[NH2+]C[C@@](C)(F)C2)C1 ZINC000449575728 354320720 /nfs/dbraw/zinc/32/07/20/354320720.db2.gz NXYCNAHGGUNDQF-DGCLKSJQSA-N 2 2 273.352 -0.133 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[NH2+]C[C@@](C)(F)C2)C1 ZINC000449575728 354320724 /nfs/dbraw/zinc/32/07/24/354320724.db2.gz NXYCNAHGGUNDQF-DGCLKSJQSA-N 2 2 273.352 -0.133 20 0 CBADLP Cc1nc(N2CC[N@@H+](CCO)C[C@@H]2C)nc(N(C)C)[nH+]1 ZINC000450957672 354331441 /nfs/dbraw/zinc/33/14/41/354331441.db2.gz UXWSGURDNBNHED-JTQLQIEISA-N 2 2 280.376 -0.251 20 0 CBADLP Cc1nc(N2CC[N@H+](CCO)C[C@@H]2C)nc(N(C)C)[nH+]1 ZINC000450957672 354331445 /nfs/dbraw/zinc/33/14/45/354331445.db2.gz UXWSGURDNBNHED-JTQLQIEISA-N 2 2 280.376 -0.251 20 0 CBADLP C[C@H]1C[NH+](CCCCC[N@@H+]2CC(=O)N[C@@H](C)C2)CC(=O)N1 ZINC000451637902 354339894 /nfs/dbraw/zinc/33/98/94/354339894.db2.gz CLCXEANYSOQAPA-STQMWFEESA-N 2 2 296.415 -0.203 20 0 CBADLP C[C@H]1C[NH+](CCCCC[N@H+]2CC(=O)N[C@@H](C)C2)CC(=O)N1 ZINC000451637902 354339896 /nfs/dbraw/zinc/33/98/96/354339896.db2.gz CLCXEANYSOQAPA-STQMWFEESA-N 2 2 296.415 -0.203 20 0 CBADLP C[C@@H](CNC(=O)NC[C@H](C)[NH+]1CCOCC1)[NH+](C)C ZINC000454250416 354354724 /nfs/dbraw/zinc/35/47/24/354354724.db2.gz RDOXCHNXQNHLHN-RYUDHWBXSA-N 2 2 272.393 -0.044 20 0 CBADLP C[NH+](C)CC(C)(C)NC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000458324195 354375985 /nfs/dbraw/zinc/37/59/85/354375985.db2.gz XVPHQUUJWJHGBS-LLVKDONJSA-N 2 2 272.393 -0.044 20 0 CBADLP C[NH+](C)CC(C)(C)NC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000458324195 354375986 /nfs/dbraw/zinc/37/59/86/354375986.db2.gz XVPHQUUJWJHGBS-LLVKDONJSA-N 2 2 272.393 -0.044 20 0 CBADLP COC(=O)CN(C)C(=O)CC[NH2+]C(C)(C)C[NH+](C)C ZINC000459542636 354384735 /nfs/dbraw/zinc/38/47/35/354384735.db2.gz AVMIXEZMQGTGBG-UHFFFAOYSA-N 2 2 273.377 -0.062 20 0 CBADLP CC[N@@H+]1CCCN(C(=O)C(=O)N2CC[NH+](C)CC2)CC1 ZINC000459927853 354394384 /nfs/dbraw/zinc/39/43/84/354394384.db2.gz IHJGYNNWECMNHF-UHFFFAOYSA-N 2 2 282.388 -0.685 20 0 CBADLP CC[N@H+]1CCCN(C(=O)C(=O)N2CC[NH+](C)CC2)CC1 ZINC000459927853 354394386 /nfs/dbraw/zinc/39/43/86/354394386.db2.gz IHJGYNNWECMNHF-UHFFFAOYSA-N 2 2 282.388 -0.685 20 0 CBADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](CCO)C[C@H]2C)C1 ZINC000457091188 354368128 /nfs/dbraw/zinc/36/81/28/354368128.db2.gz FHSAZYOJJPVMLG-ZIAGYGMSSA-N 2 2 299.415 -0.379 20 0 CBADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](CCO)C[C@H]2C)C1 ZINC000457091188 354368132 /nfs/dbraw/zinc/36/81/32/354368132.db2.gz FHSAZYOJJPVMLG-ZIAGYGMSSA-N 2 2 299.415 -0.379 20 0 CBADLP CC(C)[NH+]1CCO[C@@H](C(=O)N2CC[N@H+](CCO)C[C@H]2C)C1 ZINC000457091188 354368134 /nfs/dbraw/zinc/36/81/34/354368134.db2.gz FHSAZYOJJPVMLG-ZIAGYGMSSA-N 2 2 299.415 -0.379 20 0 CBADLP CC(C)[NH+]1CCO[C@@H](C(=O)N2CC[N@@H+](CCO)C[C@H]2C)C1 ZINC000457091188 354368138 /nfs/dbraw/zinc/36/81/38/354368138.db2.gz FHSAZYOJJPVMLG-ZIAGYGMSSA-N 2 2 299.415 -0.379 20 0 CBADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](CCO)C[C@@H]2C)C1 ZINC000457091187 354368736 /nfs/dbraw/zinc/36/87/36/354368736.db2.gz FHSAZYOJJPVMLG-UONOGXRCSA-N 2 2 299.415 -0.379 20 0 CBADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](CCO)C[C@@H]2C)C1 ZINC000457091187 354368737 /nfs/dbraw/zinc/36/87/37/354368737.db2.gz FHSAZYOJJPVMLG-UONOGXRCSA-N 2 2 299.415 -0.379 20 0 CBADLP CC(C)[NH+]1CCO[C@@H](C(=O)N2CC[N@H+](CCO)C[C@@H]2C)C1 ZINC000457091187 354368738 /nfs/dbraw/zinc/36/87/38/354368738.db2.gz FHSAZYOJJPVMLG-UONOGXRCSA-N 2 2 299.415 -0.379 20 0 CBADLP CC(C)[NH+]1CCO[C@@H](C(=O)N2CC[N@@H+](CCO)C[C@@H]2C)C1 ZINC000457091187 354368739 /nfs/dbraw/zinc/36/87/39/354368739.db2.gz FHSAZYOJJPVMLG-UONOGXRCSA-N 2 2 299.415 -0.379 20 0 CBADLP C[C@@H]1C[N@H+](CCO)CCN1C(=O)[C@@H]1CCC[NH+]1C ZINC000457141938 354369801 /nfs/dbraw/zinc/36/98/01/354369801.db2.gz YMQVPBZSZASQDY-NEPJUHHUSA-N 2 2 255.362 -0.394 20 0 CBADLP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)[C@@H]1CCC[NH+]1C ZINC000457141938 354369803 /nfs/dbraw/zinc/36/98/03/354369803.db2.gz YMQVPBZSZASQDY-NEPJUHHUSA-N 2 2 255.362 -0.394 20 0 CBADLP C[C@@H]1C[NH+](CCO)CCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC000457141938 354369807 /nfs/dbraw/zinc/36/98/07/354369807.db2.gz YMQVPBZSZASQDY-NEPJUHHUSA-N 2 2 255.362 -0.394 20 0 CBADLP C[C@@H]1C[NH+](CCO)CCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC000457141938 354369810 /nfs/dbraw/zinc/36/98/10/354369810.db2.gz YMQVPBZSZASQDY-NEPJUHHUSA-N 2 2 255.362 -0.394 20 0 CBADLP CC(C)[C@@H](CN(C)C(=O)C[NH+](C)C)NC(=O)C[NH+](C)C ZINC000489584885 354433985 /nfs/dbraw/zinc/43/39/85/354433985.db2.gz LSHAWPAQEAGSCV-GFCCVEGCSA-N 2 2 286.420 -0.291 20 0 CBADLP C[C@@H](C[NH+](C)C)NC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000461423991 354398662 /nfs/dbraw/zinc/39/86/62/354398662.db2.gz KWLCNGYAWUQCCD-SDDRHHMPSA-N 2 2 270.377 -0.339 20 0 CBADLP C[C@@H](C[NH+](C)C)NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000461423991 354398665 /nfs/dbraw/zinc/39/86/65/354398665.db2.gz KWLCNGYAWUQCCD-SDDRHHMPSA-N 2 2 270.377 -0.339 20 0 CBADLP C[C@@H](C(=O)NC[C@H]1CCCO1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000479774366 354408793 /nfs/dbraw/zinc/40/87/93/354408793.db2.gz XQRUYHCLSQYLSJ-WUHRBBMRSA-N 2 2 267.373 -0.179 20 0 CBADLP C[C@@H](C(=O)NC[C@H]1CCCO1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000479774366 354408798 /nfs/dbraw/zinc/40/87/98/354408798.db2.gz XQRUYHCLSQYLSJ-WUHRBBMRSA-N 2 2 267.373 -0.179 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)/C=C/C[NH+](C)C ZINC000491869304 354460817 /nfs/dbraw/zinc/46/08/17/354460817.db2.gz NABRCUAAXLRPJD-ZYOFXKKJSA-N 2 2 255.362 -0.059 20 0 CBADLP C[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CC[N@@H+]1CCO ZINC000492891382 354483935 /nfs/dbraw/zinc/48/39/35/354483935.db2.gz CUUQAFRXXYENJE-OTDNITJGSA-N 2 2 264.329 -0.052 20 0 CBADLP C[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CC[N@H+]1CCO ZINC000492891382 354483940 /nfs/dbraw/zinc/48/39/40/354483940.db2.gz CUUQAFRXXYENJE-OTDNITJGSA-N 2 2 264.329 -0.052 20 0 CBADLP C[N@H+](C[C@@H](O)C[NH+]1CC[C@@H]2NC(=O)OC[C@H]2C1)C1CC1 ZINC000495945851 354527665 /nfs/dbraw/zinc/52/76/65/354527665.db2.gz KGARFMWUQVWZTO-RTXFEEFZSA-N 2 2 283.372 -0.128 20 0 CBADLP C[N@@H+](C[C@@H](O)C[NH+]1CC[C@@H]2NC(=O)OC[C@H]2C1)C1CC1 ZINC000495945851 354527666 /nfs/dbraw/zinc/52/76/66/354527666.db2.gz KGARFMWUQVWZTO-RTXFEEFZSA-N 2 2 283.372 -0.128 20 0 CBADLP C[NH+](C[C@@H](O)C[N@@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1)C1CC1 ZINC000495945851 354527668 /nfs/dbraw/zinc/52/76/68/354527668.db2.gz KGARFMWUQVWZTO-RTXFEEFZSA-N 2 2 283.372 -0.128 20 0 CBADLP C[NH+](C[C@@H](O)C[N@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1)C1CC1 ZINC000495945851 354527669 /nfs/dbraw/zinc/52/76/69/354527669.db2.gz KGARFMWUQVWZTO-RTXFEEFZSA-N 2 2 283.372 -0.128 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000496166841 354535539 /nfs/dbraw/zinc/53/55/39/354535539.db2.gz DPBBVHCGKYCYPK-UTUOFQBUSA-N 2 2 271.361 -0.271 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000496166841 354535540 /nfs/dbraw/zinc/53/55/40/354535540.db2.gz DPBBVHCGKYCYPK-UTUOFQBUSA-N 2 2 271.361 -0.271 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000496166841 354535544 /nfs/dbraw/zinc/53/55/44/354535544.db2.gz DPBBVHCGKYCYPK-UTUOFQBUSA-N 2 2 271.361 -0.271 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000496166841 354535547 /nfs/dbraw/zinc/53/55/47/354535547.db2.gz DPBBVHCGKYCYPK-UTUOFQBUSA-N 2 2 271.361 -0.271 20 0 CBADLP C[N@@H+]1CCN(C(=O)/C=C/c2cnccn2)[C@H](C[NH3+])C1 ZINC000493107354 354488659 /nfs/dbraw/zinc/48/86/59/354488659.db2.gz PQHLALGWYNATLB-QAVQXKDTSA-N 2 2 261.329 -0.409 20 0 CBADLP C[N@H+]1CCN(C(=O)/C=C/c2cnccn2)[C@H](C[NH3+])C1 ZINC000493107354 354488663 /nfs/dbraw/zinc/48/86/63/354488663.db2.gz PQHLALGWYNATLB-QAVQXKDTSA-N 2 2 261.329 -0.409 20 0 CBADLP C[NH+]1CCC(O)(CNC(=O)/C=C/c2[nH]cc[nH+]2)CC1 ZINC000493248841 354491408 /nfs/dbraw/zinc/49/14/08/354491408.db2.gz GGDXHEXDOYVOHV-NSCUHMNNSA-N 2 2 264.329 -0.004 20 0 CBADLP C[C@@](O)(CNC(=O)/C=C/c1[nH]cc[nH+]1)C[NH+]1CCOCC1 ZINC000493290320 354493257 /nfs/dbraw/zinc/49/32/57/354493257.db2.gz PPXFXAUGCZUJOG-BAABZTOOSA-N 2 2 294.355 -0.378 20 0 CBADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000515523115 354555874 /nfs/dbraw/zinc/55/58/74/354555874.db2.gz OFXMTXKBSIXWGH-WOPDTQHZSA-N 3 2 269.393 -0.731 20 0 CBADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000515523115 354555876 /nfs/dbraw/zinc/55/58/76/354555876.db2.gz OFXMTXKBSIXWGH-WOPDTQHZSA-N 3 2 269.393 -0.731 20 0 CBADLP COCC(C)(C)CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000519591744 354563659 /nfs/dbraw/zinc/56/36/59/354563659.db2.gz CZXKKQUNSCPAKV-LLVKDONJSA-N 2 2 272.393 -0.057 20 0 CBADLP COCC(C)(C)CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000519591744 354563661 /nfs/dbraw/zinc/56/36/61/354563661.db2.gz CZXKKQUNSCPAKV-LLVKDONJSA-N 2 2 272.393 -0.057 20 0 CBADLP C[NH+](C)[C@H]1CN(CCC[NH+]2CCOCC2)C[C@@H]1O ZINC000519579474 354563731 /nfs/dbraw/zinc/56/37/31/354563731.db2.gz BZQIJIZMCOXACE-STQMWFEESA-N 2 2 257.378 -0.685 20 0 CBADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000520416897 354567474 /nfs/dbraw/zinc/56/74/74/354567474.db2.gz XNJJDLGDEZHITR-AWEZNQCLSA-N 2 2 269.389 -0.099 20 0 CBADLP C[NH2+]C[C@](C)(O)C[N@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000520416897 354567478 /nfs/dbraw/zinc/56/74/78/354567478.db2.gz XNJJDLGDEZHITR-AWEZNQCLSA-N 2 2 269.389 -0.099 20 0 CBADLP O=C(NCCn1cc[nH+]c1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000534268611 354596069 /nfs/dbraw/zinc/59/60/69/354596069.db2.gz BNGFGODXTDLOOA-LBPRGKRZSA-N 2 2 263.345 -0.611 20 0 CBADLP O=C(NCCn1cc[nH+]c1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000534268611 354596071 /nfs/dbraw/zinc/59/60/71/354596071.db2.gz BNGFGODXTDLOOA-LBPRGKRZSA-N 2 2 263.345 -0.611 20 0 CBADLP Cn1c[nH+]cc1CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000543447586 354636162 /nfs/dbraw/zinc/63/61/62/354636162.db2.gz RNOCLAHDHXLCNH-LLVKDONJSA-N 2 2 252.318 -0.591 20 0 CBADLP Cn1c[nH+]cc1CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000543447586 354636166 /nfs/dbraw/zinc/63/61/66/354636166.db2.gz RNOCLAHDHXLCNH-LLVKDONJSA-N 2 2 252.318 -0.591 20 0 CBADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000546593050 354653534 /nfs/dbraw/zinc/65/35/34/354653534.db2.gz BNVVCPMJAMHOJS-CYBMUJFWSA-N 3 2 291.399 -0.017 20 0 CBADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000546593050 354653538 /nfs/dbraw/zinc/65/35/38/354653538.db2.gz BNVVCPMJAMHOJS-CYBMUJFWSA-N 3 2 291.399 -0.017 20 0 CBADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000546593051 354653548 /nfs/dbraw/zinc/65/35/48/354653548.db2.gz BNVVCPMJAMHOJS-ZDUSSCGKSA-N 3 2 291.399 -0.017 20 0 CBADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000546593051 354653551 /nfs/dbraw/zinc/65/35/51/354653551.db2.gz BNVVCPMJAMHOJS-ZDUSSCGKSA-N 3 2 291.399 -0.017 20 0 CBADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCOC2(C)C)[C@@H](C[NH3+])C1 ZINC000557232057 354685869 /nfs/dbraw/zinc/68/58/69/354685869.db2.gz SOBOTGMPVJKGIK-WDEREUQCSA-N 2 2 270.377 -0.162 20 0 CBADLP C[N@H+]1CCN(C(=O)N[C@@H]2CCOC2(C)C)[C@@H](C[NH3+])C1 ZINC000557232057 354685872 /nfs/dbraw/zinc/68/58/72/354685872.db2.gz SOBOTGMPVJKGIK-WDEREUQCSA-N 2 2 270.377 -0.162 20 0 CBADLP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000563145559 354698756 /nfs/dbraw/zinc/69/87/56/354698756.db2.gz YOHCUKQGMMAXQC-GHMZBOCLSA-N 2 2 282.388 -0.465 20 0 CBADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)N(C)Cc2cnn(C)c2)C1 ZINC000563216250 354702775 /nfs/dbraw/zinc/70/27/75/354702775.db2.gz UQRGJZGKJZKCBX-LBPRGKRZSA-N 2 2 279.388 -0.080 20 0 CBADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)N(C)Cc2cnn(C)c2)C1 ZINC000563216250 354702777 /nfs/dbraw/zinc/70/27/77/354702777.db2.gz UQRGJZGKJZKCBX-LBPRGKRZSA-N 2 2 279.388 -0.080 20 0 CBADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)C[C@H](O)C[NH3+])CC1 ZINC000563216324 354703631 /nfs/dbraw/zinc/70/36/31/354703631.db2.gz XRQFYAOWKCVMMX-CYBMUJFWSA-N 3 2 286.420 -0.773 20 0 CBADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)C[C@H](O)C[NH3+])CC1 ZINC000563216324 354703634 /nfs/dbraw/zinc/70/36/34/354703634.db2.gz XRQFYAOWKCVMMX-CYBMUJFWSA-N 3 2 286.420 -0.773 20 0 CBADLP CO[C@@H](CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])C1CC1 ZINC000563875609 354706704 /nfs/dbraw/zinc/70/67/04/354706704.db2.gz QSOREQWALMAQEY-RYUDHWBXSA-N 2 2 270.377 -0.304 20 0 CBADLP CO[C@@H](CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])C1CC1 ZINC000563875609 354706706 /nfs/dbraw/zinc/70/67/06/354706706.db2.gz QSOREQWALMAQEY-RYUDHWBXSA-N 2 2 270.377 -0.304 20 0 CBADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CCN(S(C)(=O)=O)C1 ZINC000563892206 354706930 /nfs/dbraw/zinc/70/69/30/354706930.db2.gz YOCPCUCVEXOSQA-VWYCJHECSA-N 2 2 261.391 -0.392 20 0 CBADLP C[NH2+][C@@H](C)C(=O)N1CC[N@H+](CCC(=O)OC)[C@@H](C)C1 ZINC000565215092 354733213 /nfs/dbraw/zinc/73/32/13/354733213.db2.gz SDATWWGKSKZXFW-QWRGUYRKSA-N 2 2 271.361 -0.310 20 0 CBADLP C[NH2+][C@@H](C)C(=O)N1CC[N@@H+](CCC(=O)OC)[C@@H](C)C1 ZINC000565215092 354733214 /nfs/dbraw/zinc/73/32/14/354733214.db2.gz SDATWWGKSKZXFW-QWRGUYRKSA-N 2 2 271.361 -0.310 20 0 CBADLP C[C@H](C(=O)N(C)[C@@H]1CC[NH2+]C1)[NH+]1CCN(C)CC1 ZINC000564656966 354714922 /nfs/dbraw/zinc/71/49/22/354714922.db2.gz OYIVHMKFMYTSNF-VXGBXAGGSA-N 2 2 254.378 -0.557 20 0 CBADLP COC(=O)CC[N@@H+]1CCN(C(=O)C2([NH3+])CC2)[C@@H](C)C1 ZINC000564838318 354718459 /nfs/dbraw/zinc/71/84/59/354718459.db2.gz GNMVNXYKCZQOSO-JTQLQIEISA-N 2 2 269.345 -0.427 20 0 CBADLP COC(=O)CC[N@H+]1CCN(C(=O)C2([NH3+])CC2)[C@@H](C)C1 ZINC000564838318 354718460 /nfs/dbraw/zinc/71/84/60/354718460.db2.gz GNMVNXYKCZQOSO-JTQLQIEISA-N 2 2 269.345 -0.427 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)CC1(C[NH3+])CC1 ZINC000564911227 354719969 /nfs/dbraw/zinc/71/99/69/354719969.db2.gz VENGAHOHINEUHL-LLVKDONJSA-N 2 2 255.362 -0.048 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000564986661 354723475 /nfs/dbraw/zinc/72/34/75/354723475.db2.gz BTSOWMQTJRNGAE-KGLIPLIRSA-N 3 2 280.416 -0.308 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000564986661 354723478 /nfs/dbraw/zinc/72/34/78/354723478.db2.gz BTSOWMQTJRNGAE-KGLIPLIRSA-N 3 2 280.416 -0.308 20 0 CBADLP CC[C@@H](CO)[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000564979457 354723534 /nfs/dbraw/zinc/72/35/34/354723534.db2.gz SQDHOTWAENHOBD-QNWHQSFQSA-N 2 2 260.378 -0.183 20 0 CBADLP CC[C@@H](CO)[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000564979457 354723538 /nfs/dbraw/zinc/72/35/38/354723538.db2.gz SQDHOTWAENHOBD-QNWHQSFQSA-N 2 2 260.378 -0.183 20 0 CBADLP CN(Cc1cnn(C)c1)C(=O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000565046166 354726496 /nfs/dbraw/zinc/72/64/96/354726496.db2.gz HKGKNLZUMURWML-KGLIPLIRSA-N 2 2 291.399 -0.080 20 0 CBADLP CN(Cc1cnn(C)c1)C(=O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000565046166 354726498 /nfs/dbraw/zinc/72/64/98/354726498.db2.gz HKGKNLZUMURWML-KGLIPLIRSA-N 2 2 291.399 -0.080 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH2+][C@H](C(N)=O)C(C)(C)C ZINC000565156437 354729762 /nfs/dbraw/zinc/72/97/62/354729762.db2.gz ILJGTAMLSLWBHR-GHMZBOCLSA-N 2 2 275.393 -0.585 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C(N)=O)C(C)(C)C ZINC000565156437 354729765 /nfs/dbraw/zinc/72/97/65/354729765.db2.gz ILJGTAMLSLWBHR-GHMZBOCLSA-N 2 2 275.393 -0.585 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@H](C(N)=O)C(C)(C)C ZINC000565156500 354730052 /nfs/dbraw/zinc/73/00/52/354730052.db2.gz ILJGTAMLSLWBHR-WDEREUQCSA-N 2 2 275.393 -0.585 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C(N)=O)C(C)(C)C ZINC000565156500 354730054 /nfs/dbraw/zinc/73/00/54/354730054.db2.gz ILJGTAMLSLWBHR-WDEREUQCSA-N 2 2 275.393 -0.585 20 0 CBADLP Cc1c(CCC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cnn1C ZINC000565776460 354745777 /nfs/dbraw/zinc/74/57/77/354745777.db2.gz JWAWGVGNHUTCDS-CYBMUJFWSA-N 2 2 279.388 -0.238 20 0 CBADLP Cc1c(CCC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cnn1C ZINC000565776460 354745778 /nfs/dbraw/zinc/74/57/78/354745778.db2.gz JWAWGVGNHUTCDS-CYBMUJFWSA-N 2 2 279.388 -0.238 20 0 CBADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+][C@@H]2CC[C@H](C(N)=O)C2)C[C@@H](C)O1 ZINC000565829004 354746606 /nfs/dbraw/zinc/74/66/06/354746606.db2.gz PWWBAAMALNWWEA-RGDJUOJXSA-N 2 2 299.415 -0.300 20 0 CBADLP CN1CCN(c2cc(NC3C[NH2+]C3)nc[nH+]2)CC1=O ZINC000565942093 354748619 /nfs/dbraw/zinc/74/86/19/354748619.db2.gz RDRLGCPKNHHWOJ-UHFFFAOYSA-N 2 2 262.317 -0.861 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](CN2CCOCC2)C1 ZINC000565930930 354748864 /nfs/dbraw/zinc/74/88/64/354748864.db2.gz ZXGXOLUJJDKILU-GJZGRUSLSA-N 2 2 285.432 -0.047 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](CN2CCOCC2)C1 ZINC000565930930 354748866 /nfs/dbraw/zinc/74/88/66/354748866.db2.gz ZXGXOLUJJDKILU-GJZGRUSLSA-N 2 2 285.432 -0.047 20 0 CBADLP CCNC(=O)N1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000566246147 354760050 /nfs/dbraw/zinc/76/00/50/354760050.db2.gz IGKOOVNGWSDHJX-UHFFFAOYSA-N 2 2 269.393 -0.761 20 0 CBADLP CCC(=O)N[C@H]1CCC[N@H+](C[C@@](C)(O)C[NH2+]C)C1 ZINC000566351324 354764327 /nfs/dbraw/zinc/76/43/27/354764327.db2.gz FXXMPRHUMLBDRD-AAEUAGOBSA-N 2 2 257.378 -0.053 20 0 CBADLP CCC(=O)N[C@H]1CCC[N@@H+](C[C@@](C)(O)C[NH2+]C)C1 ZINC000566351324 354764328 /nfs/dbraw/zinc/76/43/28/354764328.db2.gz FXXMPRHUMLBDRD-AAEUAGOBSA-N 2 2 257.378 -0.053 20 0 CBADLP CC1(C)CC[N@H+](CC(=O)N2CC[NH+](CCO)CC2)C1 ZINC000566432706 354766271 /nfs/dbraw/zinc/76/62/71/354766271.db2.gz HZEVNNNJUZYFDW-UHFFFAOYSA-N 2 2 269.389 -0.145 20 0 CBADLP CC1(C)CC[N@@H+](CC(=O)N2CC[NH+](CCO)CC2)C1 ZINC000566432706 354766274 /nfs/dbraw/zinc/76/62/74/354766274.db2.gz HZEVNNNJUZYFDW-UHFFFAOYSA-N 2 2 269.389 -0.145 20 0 CBADLP CCCCCNC(=O)[C@H](C)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000566494590 354770079 /nfs/dbraw/zinc/77/00/79/354770079.db2.gz APPNRZPJZHJVKN-AVGNSLFASA-N 2 2 296.415 -0.075 20 0 CBADLP CCCCCNC(=O)[C@H](C)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000566494590 354770082 /nfs/dbraw/zinc/77/00/82/354770082.db2.gz APPNRZPJZHJVKN-AVGNSLFASA-N 2 2 296.415 -0.075 20 0 CBADLP CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)O1 ZINC000566673630 354772938 /nfs/dbraw/zinc/77/29/38/354772938.db2.gz UVHBQXIJICEXRO-MCIONIFRSA-N 2 2 299.415 -0.333 20 0 CBADLP CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)O1 ZINC000566673630 354772939 /nfs/dbraw/zinc/77/29/39/354772939.db2.gz UVHBQXIJICEXRO-MCIONIFRSA-N 2 2 299.415 -0.333 20 0 CBADLP NC(=O)c1csc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c1 ZINC000566749450 354774726 /nfs/dbraw/zinc/77/47/26/354774726.db2.gz SNWURKLHLNLPFA-MWLCHTKSSA-N 2 2 294.380 -0.409 20 0 CBADLP NC(=O)c1csc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c1 ZINC000566749450 354774727 /nfs/dbraw/zinc/77/47/27/354774727.db2.gz SNWURKLHLNLPFA-MWLCHTKSSA-N 2 2 294.380 -0.409 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)[C@]2(C)CC[NH2+]C2)CCO1 ZINC000567051212 354780658 /nfs/dbraw/zinc/78/06/58/354780658.db2.gz IDLVMYZDDNDXBE-WCQYABFASA-N 2 2 255.362 -0.177 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)[C@]2(C)CC[NH2+]C2)CCO1 ZINC000567051212 354780660 /nfs/dbraw/zinc/78/06/60/354780660.db2.gz IDLVMYZDDNDXBE-WCQYABFASA-N 2 2 255.362 -0.177 20 0 CBADLP CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000567180251 354782538 /nfs/dbraw/zinc/78/25/38/354782538.db2.gz DEIMWBUAKKHLND-NNYUYHANSA-N 2 2 282.388 -0.467 20 0 CBADLP CC[C@H](C)NC(=O)[C@H](C)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000567180251 354782539 /nfs/dbraw/zinc/78/25/39/354782539.db2.gz DEIMWBUAKKHLND-NNYUYHANSA-N 2 2 282.388 -0.467 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NCC1CC[NH2+]CC1 ZINC000567233565 354783379 /nfs/dbraw/zinc/78/33/79/354783379.db2.gz VXYAEJBOPGACJY-UHFFFAOYSA-N 2 2 284.404 -0.441 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NCC1CC[NH2+]CC1 ZINC000567233565 354783380 /nfs/dbraw/zinc/78/33/80/354783380.db2.gz VXYAEJBOPGACJY-UHFFFAOYSA-N 2 2 284.404 -0.441 20 0 CBADLP Cc1cnn(CC[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1 ZINC000565240221 354734794 /nfs/dbraw/zinc/73/47/94/354734794.db2.gz TWIRGXJHCXPUDZ-NWDGAFQWSA-N 2 2 263.345 -0.565 20 0 CBADLP Cc1cnn(CC[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1 ZINC000565240221 354734795 /nfs/dbraw/zinc/73/47/95/354734795.db2.gz TWIRGXJHCXPUDZ-NWDGAFQWSA-N 2 2 263.345 -0.565 20 0 CBADLP C[N@@H+]1CCN(C(=O)NCCC[NH2+]C2CC2)[C@H](C[NH3+])C1 ZINC000565412920 354737582 /nfs/dbraw/zinc/73/75/82/354737582.db2.gz WCNTZAYZPBELKH-GFCCVEGCSA-N 3 2 269.393 -0.587 20 0 CBADLP C[N@H+]1CCN(C(=O)NCCC[NH2+]C2CC2)[C@H](C[NH3+])C1 ZINC000565412920 354737586 /nfs/dbraw/zinc/73/75/86/354737586.db2.gz WCNTZAYZPBELKH-GFCCVEGCSA-N 3 2 269.393 -0.587 20 0 CBADLP C[N@@H+]1CCN(C(=O)NCCC[NH2+]C2CC2)[C@@H](C[NH3+])C1 ZINC000565412921 354737813 /nfs/dbraw/zinc/73/78/13/354737813.db2.gz WCNTZAYZPBELKH-LBPRGKRZSA-N 3 2 269.393 -0.587 20 0 CBADLP C[N@H+]1CCN(C(=O)NCCC[NH2+]C2CC2)[C@@H](C[NH3+])C1 ZINC000565412921 354737818 /nfs/dbraw/zinc/73/78/18/354737818.db2.gz WCNTZAYZPBELKH-LBPRGKRZSA-N 3 2 269.393 -0.587 20 0 CBADLP COCC1(C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)CC[NH2+]CC1 ZINC000565482858 354739690 /nfs/dbraw/zinc/73/96/90/354739690.db2.gz RRFLLQSNDKQBQR-ZDUSSCGKSA-N 2 2 299.415 -0.161 20 0 CBADLP COCC1(C(=O)NCC[N@H+]2CCO[C@@H](C)C2)CC[NH2+]CC1 ZINC000565482858 354739691 /nfs/dbraw/zinc/73/96/91/354739691.db2.gz RRFLLQSNDKQBQR-ZDUSSCGKSA-N 2 2 299.415 -0.161 20 0 CBADLP CCN(CCC[NH+](CC)CC)C(=O)CN1CC[NH2+]CC1=O ZINC000565655950 354743129 /nfs/dbraw/zinc/74/31/29/354743129.db2.gz BNDRNRRHBGHWIF-UHFFFAOYSA-N 2 2 298.431 -0.001 20 0 CBADLP CCC[C@H](O)[C@@H](CO)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000567872570 354801633 /nfs/dbraw/zinc/80/16/33/354801633.db2.gz BFGFHHRKKLOYSZ-UPJWGTAASA-N 2 2 260.378 -0.447 20 0 CBADLP CCC[C@H](O)[C@@H](CO)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000567872570 354801635 /nfs/dbraw/zinc/80/16/35/354801635.db2.gz BFGFHHRKKLOYSZ-UPJWGTAASA-N 2 2 260.378 -0.447 20 0 CBADLP CCC[C@H](O)[C@@H](CO)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000567872571 354802006 /nfs/dbraw/zinc/80/20/06/354802006.db2.gz BFGFHHRKKLOYSZ-XQQFMLRXSA-N 2 2 260.378 -0.447 20 0 CBADLP CCC[C@H](O)[C@@H](CO)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000567872571 354802008 /nfs/dbraw/zinc/80/20/08/354802008.db2.gz BFGFHHRKKLOYSZ-XQQFMLRXSA-N 2 2 260.378 -0.447 20 0 CBADLP COCCn1cc(CN2CC[N@H+](C)C[C@@H]2C[NH3+])cn1 ZINC000567871989 354802022 /nfs/dbraw/zinc/80/20/22/354802022.db2.gz OCWINZPYRILRAK-ZDUSSCGKSA-N 2 2 267.377 -0.396 20 0 CBADLP COCCn1cc(CN2CC[N@@H+](C)C[C@@H]2C[NH3+])cn1 ZINC000567871989 354802023 /nfs/dbraw/zinc/80/20/23/354802023.db2.gz OCWINZPYRILRAK-ZDUSSCGKSA-N 2 2 267.377 -0.396 20 0 CBADLP CCCn1cc[nH+]c1CCCN(C)C(=O)CNC(=O)C[NH3+] ZINC000567897133 354804553 /nfs/dbraw/zinc/80/45/53/354804553.db2.gz IILFDPOYBMDQPR-UHFFFAOYSA-N 2 2 295.387 -0.241 20 0 CBADLP O=C([C@@H]1CSC[NH2+]1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000567907117 354804585 /nfs/dbraw/zinc/80/45/85/354804585.db2.gz BZTUQZKMPZCYFN-QWRGUYRKSA-N 2 2 298.412 -0.928 20 0 CBADLP [NH3+][C@H]1C[C@@H]2C[N@H+](CCn3ccc([N+](=O)[O-])n3)CCN2C1=O ZINC000568268444 354819505 /nfs/dbraw/zinc/81/95/05/354819505.db2.gz XIZKRPSDPQFJDA-ZJUUUORDSA-N 2 2 294.315 -0.965 20 0 CBADLP [NH3+][C@H]1C[C@@H]2C[N@@H+](CCn3ccc([N+](=O)[O-])n3)CCN2C1=O ZINC000568268444 354819507 /nfs/dbraw/zinc/81/95/07/354819507.db2.gz XIZKRPSDPQFJDA-ZJUUUORDSA-N 2 2 294.315 -0.965 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1[C@@H]2CC[C@H]1CN(C)C(=O)C2 ZINC000568289645 354820455 /nfs/dbraw/zinc/82/04/55/354820455.db2.gz LWCRTMWXAIACLE-FRRDWIJNSA-N 2 2 269.389 -0.006 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1[C@@H]2CC[C@H]1CN(C)C(=O)C2 ZINC000568289645 354820459 /nfs/dbraw/zinc/82/04/59/354820459.db2.gz LWCRTMWXAIACLE-FRRDWIJNSA-N 2 2 269.389 -0.006 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1CN(C)C(=O)C2 ZINC000568289645 354820462 /nfs/dbraw/zinc/82/04/62/354820462.db2.gz LWCRTMWXAIACLE-FRRDWIJNSA-N 2 2 269.389 -0.006 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1CN(C)C(=O)C2 ZINC000568289645 354820465 /nfs/dbraw/zinc/82/04/65/354820465.db2.gz LWCRTMWXAIACLE-FRRDWIJNSA-N 2 2 269.389 -0.006 20 0 CBADLP COc1c(N)[nH+]cnc1N1CC[N@H+](CCO)[C@H](C)C1 ZINC000568294754 354821123 /nfs/dbraw/zinc/82/11/23/354821123.db2.gz AZIWUZNFWWEKIT-SECBINFHSA-N 2 2 267.333 -0.430 20 0 CBADLP COc1c(N)[nH+]cnc1N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000568294754 354821126 /nfs/dbraw/zinc/82/11/26/354821126.db2.gz AZIWUZNFWWEKIT-SECBINFHSA-N 2 2 267.333 -0.430 20 0 CBADLP C[C@@H]1NC(=O)N(CC[NH+]2CCN(c3[nH]cc[nH+]3)CC2)C1=O ZINC000568648583 354829681 /nfs/dbraw/zinc/82/96/81/354829681.db2.gz CQVYSEVSMNETRG-JTQLQIEISA-N 2 2 292.343 -0.528 20 0 CBADLP C[C@@H]1COCC[C@H]1CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000570666432 354867017 /nfs/dbraw/zinc/86/70/17/354867017.db2.gz UCGMTUABHJPOJW-FRRDWIJNSA-N 2 2 284.404 -0.057 20 0 CBADLP C[C@@H]1COCC[C@H]1CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000570666432 354867018 /nfs/dbraw/zinc/86/70/18/354867018.db2.gz UCGMTUABHJPOJW-FRRDWIJNSA-N 2 2 284.404 -0.057 20 0 CBADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@H](S(=O)(=O)NC(C)C)C1 ZINC000569854576 354848684 /nfs/dbraw/zinc/84/86/84/354848684.db2.gz GCPFCUJDPCDYDC-RYUDHWBXSA-N 2 2 293.433 -0.641 20 0 CBADLP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@H](S(=O)(=O)NC(C)C)C1 ZINC000569854576 354848687 /nfs/dbraw/zinc/84/86/87/354848687.db2.gz GCPFCUJDPCDYDC-RYUDHWBXSA-N 2 2 293.433 -0.641 20 0 CBADLP CCN(CC)C(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000570175978 354856897 /nfs/dbraw/zinc/85/68/97/354856897.db2.gz ICTRVSRNMYYYMG-WDEREUQCSA-N 2 2 268.361 -0.901 20 0 CBADLP CCN(CC)C(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000570175978 354856899 /nfs/dbraw/zinc/85/68/99/354856899.db2.gz ICTRVSRNMYYYMG-WDEREUQCSA-N 2 2 268.361 -0.901 20 0 CBADLP COC[C@H](CO)[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000570279455 354858998 /nfs/dbraw/zinc/85/89/98/354858998.db2.gz GCHDBQBQQUYPPJ-QNWHQSFQSA-N 2 2 276.377 -0.947 20 0 CBADLP COC[C@H](CO)[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000570279455 354859003 /nfs/dbraw/zinc/85/90/03/354859003.db2.gz GCHDBQBQQUYPPJ-QNWHQSFQSA-N 2 2 276.377 -0.947 20 0 CBADLP C[N@@H+]1CCN(C(=O)CNC(=O)C2CCCCC2)[C@@H](C[NH3+])C1 ZINC000570395136 354860293 /nfs/dbraw/zinc/86/02/93/354860293.db2.gz DTWOCJVWVBLEBC-ZDUSSCGKSA-N 2 2 296.415 -0.216 20 0 CBADLP C[N@H+](CCNC(=O)N1CC[NH+](C)C[C@@H]1C[NH3+])C1CC1 ZINC000570424684 354861294 /nfs/dbraw/zinc/86/12/94/354861294.db2.gz GENXVEILAASDBI-LBPRGKRZSA-N 3 2 269.393 -0.635 20 0 CBADLP C[N@@H+](CCNC(=O)N1CC[NH+](C)C[C@@H]1C[NH3+])C1CC1 ZINC000570424684 354861296 /nfs/dbraw/zinc/86/12/96/354861296.db2.gz GENXVEILAASDBI-LBPRGKRZSA-N 3 2 269.393 -0.635 20 0 CBADLP C[NH+](CCNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])C1CC1 ZINC000570424684 354861300 /nfs/dbraw/zinc/86/13/00/354861300.db2.gz GENXVEILAASDBI-LBPRGKRZSA-N 3 2 269.393 -0.635 20 0 CBADLP O=C(Cn1cc[nH+]c1)NCC[N@@H+]1CCCOCC1 ZINC000572214525 354888297 /nfs/dbraw/zinc/88/82/97/354888297.db2.gz SPUIKGBNSSRWPF-UHFFFAOYSA-N 2 2 252.318 -0.278 20 0 CBADLP O=C(Cn1cc[nH+]c1)NCC[N@H+]1CCCOCC1 ZINC000572214525 354888300 /nfs/dbraw/zinc/88/83/00/354888300.db2.gz SPUIKGBNSSRWPF-UHFFFAOYSA-N 2 2 252.318 -0.278 20 0 CBADLP O=C(Cn1cc[nH+]c1)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000572168619 354888501 /nfs/dbraw/zinc/88/85/01/354888501.db2.gz FHGYNRMVCQQRIU-TXEJJXNPSA-N 2 2 264.329 -0.138 20 0 CBADLP O=C(Cn1cc[nH+]c1)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000572168619 354888507 /nfs/dbraw/zinc/88/85/07/354888507.db2.gz FHGYNRMVCQQRIU-TXEJJXNPSA-N 2 2 264.329 -0.138 20 0 CBADLP CC[C@H]1C[N@H+](C)CCN1C[C@@H](O)C[NH+]1CCOCC1 ZINC000572633945 354894434 /nfs/dbraw/zinc/89/44/34/354894434.db2.gz ULERLBIJZXFSFM-KBPBESRZSA-N 2 2 271.405 -0.295 20 0 CBADLP CC[C@H]1C[N@@H+](C)CCN1C[C@@H](O)C[NH+]1CCOCC1 ZINC000572633945 354894436 /nfs/dbraw/zinc/89/44/36/354894436.db2.gz ULERLBIJZXFSFM-KBPBESRZSA-N 2 2 271.405 -0.295 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](OCCO)C1 ZINC000572732004 354896255 /nfs/dbraw/zinc/89/62/55/354896255.db2.gz MJSSJOQMTAVEAE-QWHCGFSZSA-N 2 2 260.378 -0.228 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](OCCO)C1 ZINC000572732004 354896256 /nfs/dbraw/zinc/89/62/56/354896256.db2.gz MJSSJOQMTAVEAE-QWHCGFSZSA-N 2 2 260.378 -0.228 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](OCCO)C1 ZINC000572732004 354896257 /nfs/dbraw/zinc/89/62/57/354896257.db2.gz MJSSJOQMTAVEAE-QWHCGFSZSA-N 2 2 260.378 -0.228 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](OCCO)C1 ZINC000572732004 354896258 /nfs/dbraw/zinc/89/62/58/354896258.db2.gz MJSSJOQMTAVEAE-QWHCGFSZSA-N 2 2 260.378 -0.228 20 0 CBADLP CN(C)c1ncc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)s1 ZINC000572781214 354897552 /nfs/dbraw/zinc/89/75/52/354897552.db2.gz FWILYOVWELCANV-KOLCDFICSA-N 2 2 295.412 -0.047 20 0 CBADLP CN(C)c1ncc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)s1 ZINC000572781214 354897554 /nfs/dbraw/zinc/89/75/54/354897554.db2.gz FWILYOVWELCANV-KOLCDFICSA-N 2 2 295.412 -0.047 20 0 CBADLP COC[C@H](O)CC[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000572960484 354900612 /nfs/dbraw/zinc/90/06/12/354900612.db2.gz BCQDCFDHTYVRDE-RQJABVFESA-N 2 2 290.404 -0.557 20 0 CBADLP COC[C@H](O)CC[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000572960484 354900615 /nfs/dbraw/zinc/90/06/15/354900615.db2.gz BCQDCFDHTYVRDE-RQJABVFESA-N 2 2 290.404 -0.557 20 0 CBADLP C[N@H+](C[C@@H](O)C[NH2+]CCC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000573357853 354911121 /nfs/dbraw/zinc/91/11/21/354911121.db2.gz CSRFKYAARDFJNH-AWEZNQCLSA-N 3 2 298.431 -0.805 20 0 CBADLP C[N@@H+](C[C@@H](O)C[NH2+]CCC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000573357853 354911123 /nfs/dbraw/zinc/91/11/23/354911123.db2.gz CSRFKYAARDFJNH-AWEZNQCLSA-N 3 2 298.431 -0.805 20 0 CBADLP CN(CC1CC1)C(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000573459861 354912849 /nfs/dbraw/zinc/91/28/49/354912849.db2.gz PPFPKBMRKBFZNQ-NWDGAFQWSA-N 2 2 280.372 -0.901 20 0 CBADLP CN(CC1CC1)C(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000573459861 354912850 /nfs/dbraw/zinc/91/28/50/354912850.db2.gz PPFPKBMRKBFZNQ-NWDGAFQWSA-N 2 2 280.372 -0.901 20 0 CBADLP CN1CC[C@@H]([N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1=O ZINC000571802536 354881149 /nfs/dbraw/zinc/88/11/49/354881149.db2.gz WFBBNXPDXHCVHA-NWDGAFQWSA-N 2 2 280.372 -0.887 20 0 CBADLP CN1CC[C@@H]([N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1=O ZINC000571802536 354881152 /nfs/dbraw/zinc/88/11/52/354881152.db2.gz WFBBNXPDXHCVHA-NWDGAFQWSA-N 2 2 280.372 -0.887 20 0 CBADLP CN1CC[C@H]([N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1=O ZINC000571802538 354881376 /nfs/dbraw/zinc/88/13/76/354881376.db2.gz WFBBNXPDXHCVHA-RYUDHWBXSA-N 2 2 280.372 -0.887 20 0 CBADLP CN1CC[C@H]([N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1=O ZINC000571802538 354881377 /nfs/dbraw/zinc/88/13/77/354881377.db2.gz WFBBNXPDXHCVHA-RYUDHWBXSA-N 2 2 280.372 -0.887 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000573740135 354920730 /nfs/dbraw/zinc/92/07/30/354920730.db2.gz FLLVRMIYZXRVIK-NEPJUHHUSA-N 2 2 283.376 -0.467 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000573740135 354920732 /nfs/dbraw/zinc/92/07/32/354920732.db2.gz FLLVRMIYZXRVIK-NEPJUHHUSA-N 2 2 283.376 -0.467 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000573740135 354920735 /nfs/dbraw/zinc/92/07/35/354920735.db2.gz FLLVRMIYZXRVIK-NEPJUHHUSA-N 2 2 283.376 -0.467 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000573740135 354920737 /nfs/dbraw/zinc/92/07/37/354920737.db2.gz FLLVRMIYZXRVIK-NEPJUHHUSA-N 2 2 283.376 -0.467 20 0 CBADLP C[C@H](C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1)C[NH+]1CCOCC1 ZINC000574191822 354930420 /nfs/dbraw/zinc/93/04/20/354930420.db2.gz IXMPADNZMJENTL-UKRRQHHQSA-N 3 2 285.432 -0.001 20 0 CBADLP C[C@H](C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)C[NH+]1CCOCC1 ZINC000574191822 354930423 /nfs/dbraw/zinc/93/04/23/354930423.db2.gz IXMPADNZMJENTL-UKRRQHHQSA-N 3 2 285.432 -0.001 20 0 CBADLP CC[C@H](COC)NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000575108540 354934243 /nfs/dbraw/zinc/93/42/43/354934243.db2.gz QARLPZZMRCFPCF-MNOVXSKESA-N 2 2 258.366 -0.304 20 0 CBADLP CC[C@H](COC)NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000575108540 354934245 /nfs/dbraw/zinc/93/42/45/354934245.db2.gz QARLPZZMRCFPCF-MNOVXSKESA-N 2 2 258.366 -0.304 20 0 CBADLP C[N@@H+]1CCN(C(=O)CCC(=O)NC2CCCC2)[C@H](C[NH3+])C1 ZINC000575401813 354935113 /nfs/dbraw/zinc/93/51/13/354935113.db2.gz OFGZYACILZIGBF-CYBMUJFWSA-N 2 2 296.415 -0.073 20 0 CBADLP C[N@H+]1CCN(C(=O)CCC(=O)NC2CCCC2)[C@H](C[NH3+])C1 ZINC000575401813 354935115 /nfs/dbraw/zinc/93/51/15/354935115.db2.gz OFGZYACILZIGBF-CYBMUJFWSA-N 2 2 296.415 -0.073 20 0 CBADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CCCOCCO)C[C@@H](C)O1 ZINC000578237494 354941616 /nfs/dbraw/zinc/94/16/16/354941616.db2.gz OPPSNEPNEYTXTH-MGPQQGTHSA-N 2 2 290.404 -0.555 20 0 CBADLP CN(CCCn1cc[nH+]c1)C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000578235744 354942130 /nfs/dbraw/zinc/94/21/30/354942130.db2.gz VEGSUZMDZBLZQE-LBPRGKRZSA-N 2 2 293.371 -0.400 20 0 CBADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)CC[C@H](C)[NH3+])CC1 ZINC000578324584 354944226 /nfs/dbraw/zinc/94/42/26/354944226.db2.gz OSFMGFKNLSPDFI-LBPRGKRZSA-N 2 2 284.404 -0.216 20 0 CBADLP CCNC(=O)C[N@H+]1CCCN(C(=O)CC[C@H](C)[NH3+])CC1 ZINC000578324584 354944229 /nfs/dbraw/zinc/94/42/29/354944229.db2.gz OSFMGFKNLSPDFI-LBPRGKRZSA-N 2 2 284.404 -0.216 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@H]1CC(N)=O ZINC000578664254 354951507 /nfs/dbraw/zinc/95/15/07/354951507.db2.gz HIBDPKOOMYKKMD-STQMWFEESA-N 2 2 287.404 -0.345 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@H]1CC(N)=O ZINC000578664254 354951514 /nfs/dbraw/zinc/95/15/14/354951514.db2.gz HIBDPKOOMYKKMD-STQMWFEESA-N 2 2 287.404 -0.345 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@H]1CC(N)=O ZINC000578664254 354951517 /nfs/dbraw/zinc/95/15/17/354951517.db2.gz HIBDPKOOMYKKMD-STQMWFEESA-N 2 2 287.404 -0.345 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@H]1CC(N)=O ZINC000578664254 354951523 /nfs/dbraw/zinc/95/15/23/354951523.db2.gz HIBDPKOOMYKKMD-STQMWFEESA-N 2 2 287.404 -0.345 20 0 CBADLP C[C@@H](CNC(=O)CC(F)(F)C[NH3+])N1CC[NH+](C)CC1 ZINC000578662999 354951584 /nfs/dbraw/zinc/95/15/84/354951584.db2.gz HOWRNHRZKIEVPJ-JTQLQIEISA-N 2 2 278.347 -0.277 20 0 CBADLP C[C@@H](CNC(=O)CC(F)(F)C[NH3+])[NH+]1CCN(C)CC1 ZINC000578662999 354951586 /nfs/dbraw/zinc/95/15/86/354951586.db2.gz HOWRNHRZKIEVPJ-JTQLQIEISA-N 2 2 278.347 -0.277 20 0 CBADLP CCCNC(=O)CCCC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000578648883 354951615 /nfs/dbraw/zinc/95/16/15/354951615.db2.gz QHSOPNUJHJYSCL-LBPRGKRZSA-N 2 2 284.404 -0.216 20 0 CBADLP CCCNC(=O)CCCC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000578648883 354951619 /nfs/dbraw/zinc/95/16/19/354951619.db2.gz QHSOPNUJHJYSCL-LBPRGKRZSA-N 2 2 284.404 -0.216 20 0 CBADLP C[NH2+][C@@H]1CCC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000579122397 354963244 /nfs/dbraw/zinc/96/32/44/354963244.db2.gz CFMSCOJKKJPYLK-GFCCVEGCSA-N 3 2 254.378 -0.508 20 0 CBADLP C[NH2+][C@@H]1CCC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000579122397 354963248 /nfs/dbraw/zinc/96/32/48/354963248.db2.gz CFMSCOJKKJPYLK-GFCCVEGCSA-N 3 2 254.378 -0.508 20 0 CBADLP C[N@@H+]1CCN(C(=O)N[C@@H]2COCC2(C)C)[C@@H](C[NH3+])C1 ZINC000579212146 354964019 /nfs/dbraw/zinc/96/40/19/354964019.db2.gz BUBXOAZZXHFDLE-WDEREUQCSA-N 2 2 270.377 -0.304 20 0 CBADLP C[N@H+]1CCN(C(=O)N[C@@H]2COCC2(C)C)[C@@H](C[NH3+])C1 ZINC000579212146 354964022 /nfs/dbraw/zinc/96/40/22/354964022.db2.gz BUBXOAZZXHFDLE-WDEREUQCSA-N 2 2 270.377 -0.304 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000579229012 354965179 /nfs/dbraw/zinc/96/51/79/354965179.db2.gz WACUFKNCEOZKBG-NEPJUHHUSA-N 2 2 284.404 -0.362 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000579229012 354965181 /nfs/dbraw/zinc/96/51/81/354965181.db2.gz WACUFKNCEOZKBG-NEPJUHHUSA-N 2 2 284.404 -0.362 20 0 CBADLP C[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](CCO)C[C@@H]2C)C1 ZINC000579373585 354969034 /nfs/dbraw/zinc/96/90/34/354969034.db2.gz ZFANLMUBYATVLF-OLZOCXBDSA-N 2 2 269.389 -0.147 20 0 CBADLP C[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](CCO)C[C@@H]2C)C1 ZINC000579373585 354969038 /nfs/dbraw/zinc/96/90/38/354969038.db2.gz ZFANLMUBYATVLF-OLZOCXBDSA-N 2 2 269.389 -0.147 20 0 CBADLP C[C@@H]1CC[NH+](CC(=O)N2CC[N@H+](CCO)C[C@@H]2C)C1 ZINC000579373585 354969041 /nfs/dbraw/zinc/96/90/41/354969041.db2.gz ZFANLMUBYATVLF-OLZOCXBDSA-N 2 2 269.389 -0.147 20 0 CBADLP C[C@@H]1CC[NH+](CC(=O)N2CC[N@@H+](CCO)C[C@@H]2C)C1 ZINC000579373585 354969043 /nfs/dbraw/zinc/96/90/43/354969043.db2.gz ZFANLMUBYATVLF-OLZOCXBDSA-N 2 2 269.389 -0.147 20 0 CBADLP C[NH2+][C@H]1CCN(C(=O)[C@@H](C)[NH+]2CCN(C)CC2)C1 ZINC000579474793 354971453 /nfs/dbraw/zinc/97/14/53/354971453.db2.gz OCUFXJGLPCQNLE-NEPJUHHUSA-N 2 2 254.378 -0.557 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1CCC[N@H+]1CCCO ZINC000579603954 354974312 /nfs/dbraw/zinc/97/43/12/354974312.db2.gz VNADSWNSDQDYQN-LBPRGKRZSA-N 2 2 266.345 -0.154 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000579603954 354974316 /nfs/dbraw/zinc/97/43/16/354974316.db2.gz VNADSWNSDQDYQN-LBPRGKRZSA-N 2 2 266.345 -0.154 20 0 CBADLP COC[C@]1(C(=O)N(C)CC[NH+]2CCOCC2)CC[NH2+]C1 ZINC000579825548 354979894 /nfs/dbraw/zinc/97/98/94/354979894.db2.gz NNJAPCIWOCNHTA-AWEZNQCLSA-N 2 2 285.388 -0.597 20 0 CBADLP C[NH+]1CCN(C[C@H](O)C[NH2+]CC(C)(F)F)CC1 ZINC000581007733 355003490 /nfs/dbraw/zinc/00/34/90/355003490.db2.gz XDHQPPVDADJONM-SNVBAGLBSA-N 2 2 251.321 -0.161 20 0 CBADLP C[C@H](C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)[NH+]1CCN(C)CC1 ZINC000581012800 355003651 /nfs/dbraw/zinc/00/36/51/355003651.db2.gz VPXNITHJOXJSBT-UKRRQHHQSA-N 2 2 280.416 -0.166 20 0 CBADLP C[C@H](C[C@H](C)[NH3+])NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000580323833 354993730 /nfs/dbraw/zinc/99/37/30/354993730.db2.gz LRAIGPGNUUYBOW-QJPTWQEYSA-N 2 2 271.409 -0.343 20 0 CBADLP C[C@H](C[C@H](C)[NH3+])NC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000580323833 354993731 /nfs/dbraw/zinc/99/37/31/354993731.db2.gz LRAIGPGNUUYBOW-QJPTWQEYSA-N 2 2 271.409 -0.343 20 0 CBADLP C[NH+]1CCN(C[C@@H](O)C[NH2+]CC(C)(F)F)CC1 ZINC000581007728 355003857 /nfs/dbraw/zinc/00/38/57/355003857.db2.gz XDHQPPVDADJONM-JTQLQIEISA-N 2 2 251.321 -0.161 20 0 CBADLP O=C(N[C@H]1CC[NH2+]C1)c1ccc(-n2cc[nH+]c2)nn1 ZINC000584541278 355031876 /nfs/dbraw/zinc/03/18/76/355031876.db2.gz BBUBFGXFYGKEGR-VIFPVBQESA-N 2 2 258.285 -0.246 20 0 CBADLP CC[NH+]1CCN(CC(=O)N2CC[NH2+]C[C@H]2C(F)F)CC1 ZINC000584617503 355033541 /nfs/dbraw/zinc/03/35/41/355033541.db2.gz WVPVTVAOAWJHFY-NSHDSACASA-N 2 2 290.358 -0.311 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC[C@@H]([NH3+])C1 ZINC000584719391 355035804 /nfs/dbraw/zinc/03/58/04/355035804.db2.gz SMLRNUGRJARORG-SNVBAGLBSA-N 2 2 256.350 -0.998 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CC[C@@H]([NH3+])C1 ZINC000584719391 355035806 /nfs/dbraw/zinc/03/58/06/355035806.db2.gz SMLRNUGRJARORG-SNVBAGLBSA-N 2 2 256.350 -0.998 20 0 CBADLP C[NH2+][C@H](C(=O)NCC[N@@H+]1CCO[C@H](C)C1)c1cnn(C)c1 ZINC000582065509 355007278 /nfs/dbraw/zinc/00/72/78/355007278.db2.gz QVGDDDRYFBHPCP-YPMHNXCESA-N 2 2 295.387 -0.483 20 0 CBADLP C[NH2+][C@H](C(=O)NCC[N@H+]1CCO[C@H](C)C1)c1cnn(C)c1 ZINC000582065509 355007281 /nfs/dbraw/zinc/00/72/81/355007281.db2.gz QVGDDDRYFBHPCP-YPMHNXCESA-N 2 2 295.387 -0.483 20 0 CBADLP C[NH2+][C@H](C(=O)NCC[N@@H+]1CCO[C@@H](C)C1)c1cnn(C)c1 ZINC000582065506 355007772 /nfs/dbraw/zinc/00/77/72/355007772.db2.gz QVGDDDRYFBHPCP-AAEUAGOBSA-N 2 2 295.387 -0.483 20 0 CBADLP C[NH2+][C@H](C(=O)NCC[N@H+]1CCO[C@@H](C)C1)c1cnn(C)c1 ZINC000582065506 355007775 /nfs/dbraw/zinc/00/77/75/355007775.db2.gz QVGDDDRYFBHPCP-AAEUAGOBSA-N 2 2 295.387 -0.483 20 0 CBADLP C[N@H+](C[C@H](O)C[NH2+]C[C@H]1CCCCS1(=O)=O)C1CC1 ZINC000582117718 355008346 /nfs/dbraw/zinc/00/83/46/355008346.db2.gz CXNUJDMKRBXPKE-CHWSQXEVSA-N 2 2 290.429 -0.002 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH2+]C[C@H]1CCCCS1(=O)=O)C1CC1 ZINC000582117718 355008349 /nfs/dbraw/zinc/00/83/49/355008349.db2.gz CXNUJDMKRBXPKE-CHWSQXEVSA-N 2 2 290.429 -0.002 20 0 CBADLP COC(=O)CCNC(=O)C[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000582189469 355010268 /nfs/dbraw/zinc/01/02/68/355010268.db2.gz QQSIQPHQFRHSBI-ZJUUUORDSA-N 2 2 257.334 -0.523 20 0 CBADLP COC(=O)CCNC(=O)C[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000582189469 355010270 /nfs/dbraw/zinc/01/02/70/355010270.db2.gz QQSIQPHQFRHSBI-ZJUUUORDSA-N 2 2 257.334 -0.523 20 0 CBADLP COc1c(N)[nH+]cnc1N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000582252063 355012725 /nfs/dbraw/zinc/01/27/25/355012725.db2.gz STALNQCRRZUUBY-UHFFFAOYSA-N 2 2 294.359 -0.722 20 0 CBADLP COc1c(N)nc[nH+]c1N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000582252063 355012729 /nfs/dbraw/zinc/01/27/29/355012729.db2.gz STALNQCRRZUUBY-UHFFFAOYSA-N 2 2 294.359 -0.722 20 0 CBADLP COC(=O)CCC[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000582312499 355013525 /nfs/dbraw/zinc/01/35/25/355013525.db2.gz ZUWNFFRPLHHRPY-UWVGGRQHSA-N 2 2 255.318 -0.817 20 0 CBADLP COC(=O)CCC[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000582312499 355013528 /nfs/dbraw/zinc/01/35/28/355013528.db2.gz ZUWNFFRPLHHRPY-UWVGGRQHSA-N 2 2 255.318 -0.817 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@H]2CC[NH2+][C@H]2C)CC1 ZINC000583563312 355019892 /nfs/dbraw/zinc/01/98/92/355019892.db2.gz OVVRYVPZZFHXSN-AAEUAGOBSA-N 2 2 282.388 -0.735 20 0 CBADLP C[C@@H](NC(=O)c1ccoc1)C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000584051992 355028598 /nfs/dbraw/zinc/02/85/98/355028598.db2.gz DYOXVOKPPVAQCS-ZYHUDNBSSA-N 2 2 294.355 -0.501 20 0 CBADLP C[NH+](C)[C@]1(C[NH2+]CCC(=O)NC(N)=O)CCSC1 ZINC000591748038 355111800 /nfs/dbraw/zinc/11/18/00/355111800.db2.gz OLNDHDGPXJSXRJ-NSHDSACASA-N 2 2 274.390 -0.402 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NCCC[NH+](C)C ZINC000591538709 355096493 /nfs/dbraw/zinc/09/64/93/355096493.db2.gz LMXHSCPOHMIRBU-GFCCVEGCSA-N 2 2 272.393 -0.042 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NCCC[NH+](C)C ZINC000591538709 355096494 /nfs/dbraw/zinc/09/64/94/355096494.db2.gz LMXHSCPOHMIRBU-GFCCVEGCSA-N 2 2 272.393 -0.042 20 0 CBADLP COC(=O)[C@H]1C[C@@H](O)C[N@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000592529550 355159441 /nfs/dbraw/zinc/15/94/41/355159441.db2.gz LSLZCWOMMNOHSX-CMPLNLGQSA-N 2 2 296.371 -0.158 20 0 CBADLP COC(=O)[C@H]1C[C@@H](O)C[N@@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000592529550 355159443 /nfs/dbraw/zinc/15/94/43/355159443.db2.gz LSLZCWOMMNOHSX-CMPLNLGQSA-N 2 2 296.371 -0.158 20 0 CBADLP COC(=O)[C@H]1C[C@@H](O)C[N@H+](CCn2cc[nH+]c2)C1 ZINC000592193353 355137595 /nfs/dbraw/zinc/13/75/95/355137595.db2.gz FEOCZPYYEIOEAA-WDEREUQCSA-N 2 2 253.302 -0.261 20 0 CBADLP COC(=O)[C@H]1C[C@@H](O)C[N@@H+](CCn2cc[nH+]c2)C1 ZINC000592193353 355137599 /nfs/dbraw/zinc/13/75/99/355137599.db2.gz FEOCZPYYEIOEAA-WDEREUQCSA-N 2 2 253.302 -0.261 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](O)C[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000592205442 355141222 /nfs/dbraw/zinc/14/12/22/355141222.db2.gz KLKMOXJFCFRZMH-RTXFEEFZSA-N 2 2 286.372 -0.703 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000592205442 355141224 /nfs/dbraw/zinc/14/12/24/355141224.db2.gz KLKMOXJFCFRZMH-RTXFEEFZSA-N 2 2 286.372 -0.703 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](O)C[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000592205442 355141225 /nfs/dbraw/zinc/14/12/25/355141225.db2.gz KLKMOXJFCFRZMH-RTXFEEFZSA-N 2 2 286.372 -0.703 20 0 CBADLP COC(=O)[C@@H]1C[C@@H](O)C[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000592205442 355141228 /nfs/dbraw/zinc/14/12/28/355141228.db2.gz KLKMOXJFCFRZMH-RTXFEEFZSA-N 2 2 286.372 -0.703 20 0 CBADLP CCOC(=O)C[N@@H+]1CCCN(C(=O)C[C@H](C)[NH3+])CC1 ZINC000592260796 355145716 /nfs/dbraw/zinc/14/57/16/355145716.db2.gz NZVRHZPPMJHVQW-NSHDSACASA-N 2 2 271.361 -0.179 20 0 CBADLP CCOC(=O)C[N@H+]1CCCN(C(=O)C[C@H](C)[NH3+])CC1 ZINC000592260796 355145722 /nfs/dbraw/zinc/14/57/22/355145722.db2.gz NZVRHZPPMJHVQW-NSHDSACASA-N 2 2 271.361 -0.179 20 0 CBADLP COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@H](C)[NH3+])C1 ZINC000592278484 355146302 /nfs/dbraw/zinc/14/63/02/355146302.db2.gz WTRGHKDXDNGIKD-VHSXEESVSA-N 2 2 257.334 -0.665 20 0 CBADLP COC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@H](C)[NH3+])C1 ZINC000592278484 355146303 /nfs/dbraw/zinc/14/63/03/355146303.db2.gz WTRGHKDXDNGIKD-VHSXEESVSA-N 2 2 257.334 -0.665 20 0 CBADLP COC(=O)[C@H]1C[NH2+]CCCN1Cc1c[nH+]cn1C ZINC000592433134 355154047 /nfs/dbraw/zinc/15/40/47/355154047.db2.gz AIKNSKLLWHOCIW-LLVKDONJSA-N 2 2 252.318 -0.243 20 0 CBADLP COC(=O)c1ccc(CN2CC[N@H+](C)C[C@@H]2C[NH3+])[nH]1 ZINC000592434568 355154091 /nfs/dbraw/zinc/15/40/91/355154091.db2.gz LMYXJTMXFBNZRN-NSHDSACASA-N 2 2 266.345 -0.124 20 0 CBADLP COC(=O)c1ccc(CN2CC[N@@H+](C)C[C@@H]2C[NH3+])[nH]1 ZINC000592434568 355154093 /nfs/dbraw/zinc/15/40/93/355154093.db2.gz LMYXJTMXFBNZRN-NSHDSACASA-N 2 2 266.345 -0.124 20 0 CBADLP C[N@H+](CCC[NH3+])CC(=O)NC(=O)NCC(F)(F)F ZINC000592473605 355156161 /nfs/dbraw/zinc/15/61/61/355156161.db2.gz FUJOOMUPPOKVCP-UHFFFAOYSA-N 2 2 270.255 -0.345 20 0 CBADLP C[N@@H+](CCC[NH3+])CC(=O)NC(=O)NCC(F)(F)F ZINC000592473605 355156169 /nfs/dbraw/zinc/15/61/69/355156169.db2.gz FUJOOMUPPOKVCP-UHFFFAOYSA-N 2 2 270.255 -0.345 20 0 CBADLP CC[C@@H]1C[N@H+](CC(=O)NCCC(=O)OC)CC[C@H]1[NH3+] ZINC000592487928 355157419 /nfs/dbraw/zinc/15/74/19/355157419.db2.gz CSSAOAWOYNPTHW-GHMZBOCLSA-N 2 2 271.361 -0.275 20 0 CBADLP CC[C@@H]1C[N@@H+](CC(=O)NCCC(=O)OC)CC[C@H]1[NH3+] ZINC000592487928 355157422 /nfs/dbraw/zinc/15/74/22/355157422.db2.gz CSSAOAWOYNPTHW-GHMZBOCLSA-N 2 2 271.361 -0.275 20 0 CBADLP COC(=O)[C@@H]1C[NH2+]CCCN1CC[N@@H+]1CCO[C@@H](C)C1 ZINC000592487552 355157522 /nfs/dbraw/zinc/15/75/22/355157522.db2.gz UPVTZEDVBLDORU-STQMWFEESA-N 2 2 285.388 -0.456 20 0 CBADLP COC(=O)[C@@H]1C[NH2+]CCCN1CC[N@H+]1CCO[C@@H](C)C1 ZINC000592487552 355157524 /nfs/dbraw/zinc/15/75/24/355157524.db2.gz UPVTZEDVBLDORU-STQMWFEESA-N 2 2 285.388 -0.456 20 0 CBADLP COC(=O)C1(C[N@@H+]2CCN(CC[NH+](C)C)C(=O)C2)CC1 ZINC000593051503 355190709 /nfs/dbraw/zinc/19/07/09/355190709.db2.gz KSKMAXLLVTXNCJ-UHFFFAOYSA-N 2 2 283.372 -0.355 20 0 CBADLP COC(=O)C1(C[N@H+]2CCN(CC[NH+](C)C)C(=O)C2)CC1 ZINC000593051503 355190713 /nfs/dbraw/zinc/19/07/13/355190713.db2.gz KSKMAXLLVTXNCJ-UHFFFAOYSA-N 2 2 283.372 -0.355 20 0 CBADLP COC(=O)[C@@H](CC(C)C)NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000593901791 355226346 /nfs/dbraw/zinc/22/63/46/355226346.db2.gz IMEUVGOGGHKUKM-WDEREUQCSA-N 2 2 273.377 -0.031 20 0 CBADLP CC[C@](C)(NC(=O)[C@H]([NH3+])CC[NH+](C)C)C(=O)OC ZINC000593903672 355226458 /nfs/dbraw/zinc/22/64/58/355226458.db2.gz JLDYAPRJMHAPJN-SKDRFNHKSA-N 2 2 259.350 -0.277 20 0 CBADLP COC(=O)[C@]1(C)CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000593907921 355226821 /nfs/dbraw/zinc/22/68/21/355226821.db2.gz VXHWRVQHIOFWFF-ZWNOBZJWSA-N 2 2 271.361 -0.323 20 0 CBADLP CCOC(=O)C[C@@H](C)CNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000593910451 355227971 /nfs/dbraw/zinc/22/79/71/355227971.db2.gz KFQHFXRGOUFUCB-GHMZBOCLSA-N 2 2 273.377 -0.029 20 0 CBADLP CCOC(=O)[C@H](C)CNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000593909964 355228095 /nfs/dbraw/zinc/22/80/95/355228095.db2.gz OQQDKAFEOTWPAK-ZJUUUORDSA-N 2 2 259.350 -0.419 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](C(=O)OC)[C@H]1C ZINC000593974078 355232102 /nfs/dbraw/zinc/23/21/02/355232102.db2.gz RYTBWCQISFYZRS-AGIUHOORSA-N 2 2 288.388 -0.191 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](C(=O)OC)[C@H]1C ZINC000593974078 355232104 /nfs/dbraw/zinc/23/21/04/355232104.db2.gz RYTBWCQISFYZRS-AGIUHOORSA-N 2 2 288.388 -0.191 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](C(=O)OC)[C@H]1C ZINC000593974078 355232106 /nfs/dbraw/zinc/23/21/06/355232106.db2.gz RYTBWCQISFYZRS-AGIUHOORSA-N 2 2 288.388 -0.191 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](C(=O)OC)[C@H]1C ZINC000593974078 355232108 /nfs/dbraw/zinc/23/21/08/355232108.db2.gz RYTBWCQISFYZRS-AGIUHOORSA-N 2 2 288.388 -0.191 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C(=O)OC)[C@H]1C ZINC000593974080 355232514 /nfs/dbraw/zinc/23/25/14/355232514.db2.gz RYTBWCQISFYZRS-FRRDWIJNSA-N 2 2 288.388 -0.191 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C(=O)OC)[C@H]1C ZINC000593974080 355232518 /nfs/dbraw/zinc/23/25/18/355232518.db2.gz RYTBWCQISFYZRS-FRRDWIJNSA-N 2 2 288.388 -0.191 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](C(=O)OC)[C@H]1C ZINC000593974080 355232522 /nfs/dbraw/zinc/23/25/22/355232522.db2.gz RYTBWCQISFYZRS-FRRDWIJNSA-N 2 2 288.388 -0.191 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](C(=O)OC)[C@H]1C ZINC000593974080 355232524 /nfs/dbraw/zinc/23/25/24/355232524.db2.gz RYTBWCQISFYZRS-FRRDWIJNSA-N 2 2 288.388 -0.191 20 0 CBADLP CCc1nn(C)cc1C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000594736688 355259083 /nfs/dbraw/zinc/25/90/83/355259083.db2.gz LNNVOFLZOXEZGQ-VXGBXAGGSA-N 2 2 277.372 -0.274 20 0 CBADLP CCc1nn(C)cc1C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000594736688 355259087 /nfs/dbraw/zinc/25/90/87/355259087.db2.gz LNNVOFLZOXEZGQ-VXGBXAGGSA-N 2 2 277.372 -0.274 20 0 CBADLP [NH3+][C@@H]1C[C@H]2C[N@H+](CCO[C@@H]3CC3(F)F)CCN2C1=O ZINC000594876043 355266109 /nfs/dbraw/zinc/26/61/09/355266109.db2.gz AHSVNUNQODRBTB-IVZWLZJFSA-N 2 2 275.299 -0.346 20 0 CBADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](CCO[C@@H]3CC3(F)F)CCN2C1=O ZINC000594876043 355266115 /nfs/dbraw/zinc/26/61/15/355266115.db2.gz AHSVNUNQODRBTB-IVZWLZJFSA-N 2 2 275.299 -0.346 20 0 CBADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](CCO[C@@H]3CC3(F)F)CCN2C1=O ZINC000594876044 355266364 /nfs/dbraw/zinc/26/63/64/355266364.db2.gz AHSVNUNQODRBTB-OPRDCNLKSA-N 2 2 275.299 -0.346 20 0 CBADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](CCO[C@@H]3CC3(F)F)CCN2C1=O ZINC000594876044 355266371 /nfs/dbraw/zinc/26/63/71/355266371.db2.gz AHSVNUNQODRBTB-OPRDCNLKSA-N 2 2 275.299 -0.346 20 0 CBADLP COC(=O)Cn1cc(CC[N@@H+]2CCn3c[nH+]cc3C2)nn1 ZINC000595492086 355289465 /nfs/dbraw/zinc/28/94/65/355289465.db2.gz ULFAEERZAGPZLR-UHFFFAOYSA-N 2 2 290.327 -0.294 20 0 CBADLP COC(=O)Cn1cc(CC[N@H+]2CCn3c[nH+]cc3C2)nn1 ZINC000595492086 355289468 /nfs/dbraw/zinc/28/94/68/355289468.db2.gz ULFAEERZAGPZLR-UHFFFAOYSA-N 2 2 290.327 -0.294 20 0 CBADLP COC(=O)C12CC(C1)C[N@@H+]2CCC(=O)N1CC[NH+](C)CC1 ZINC000595679232 355301750 /nfs/dbraw/zinc/30/17/50/355301750.db2.gz AJUQUYFGPHKTOY-UHFFFAOYSA-N 2 2 295.383 -0.212 20 0 CBADLP COC(=O)C12CC(C1)C[N@H+]2CCC(=O)N1CC[NH+](C)CC1 ZINC000595679232 355301755 /nfs/dbraw/zinc/30/17/55/355301755.db2.gz AJUQUYFGPHKTOY-UHFFFAOYSA-N 2 2 295.383 -0.212 20 0 CBADLP COC(=O)CCN1CC[C@@H]([NH+]2CCC([NH3+])CC2)C1=O ZINC000595894151 355315640 /nfs/dbraw/zinc/31/56/40/355315640.db2.gz SBHUYINYIRXROY-LLVKDONJSA-N 2 2 269.345 -0.427 20 0 CBADLP C[NH+](C)CCC[C@H]1C[N@H+](CC(=O)NC(N)=O)CCO1 ZINC000595904793 355317782 /nfs/dbraw/zinc/31/77/82/355317782.db2.gz LCZLELBDUCCBLA-JTQLQIEISA-N 2 2 272.349 -0.776 20 0 CBADLP C[NH+](C)CCC[C@H]1C[N@@H+](CC(=O)NC(N)=O)CCO1 ZINC000595904793 355317784 /nfs/dbraw/zinc/31/77/84/355317784.db2.gz LCZLELBDUCCBLA-JTQLQIEISA-N 2 2 272.349 -0.776 20 0 CBADLP COC(=O)[C@@](C)(CCF)[NH2+]CCC(=O)N1CC[NH2+]CC1 ZINC000595910803 355317856 /nfs/dbraw/zinc/31/78/56/355317856.db2.gz RWZVXOAXVONINC-CYBMUJFWSA-N 2 2 289.351 -0.311 20 0 CBADLP COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1([NH+](C)C)CC1 ZINC000597440802 355386353 /nfs/dbraw/zinc/38/63/53/355386353.db2.gz GGQIEQPPNVVYFM-JTQLQIEISA-N 2 2 280.328 -0.296 20 0 CBADLP COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1([NH+](C)C)CC1 ZINC000597440802 355386355 /nfs/dbraw/zinc/38/63/55/355386355.db2.gz GGQIEQPPNVVYFM-JTQLQIEISA-N 2 2 280.328 -0.296 20 0 CBADLP COC(=O)[C@@H]1C[C@@H]1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000597989748 355425640 /nfs/dbraw/zinc/42/56/40/355425640.db2.gz IVKNVTMSAQYSQP-NWDGAFQWSA-N 2 2 285.388 -0.205 20 0 CBADLP COC(=O)[C@@H]1C[C@@H]1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000597989748 355425642 /nfs/dbraw/zinc/42/56/42/355425642.db2.gz IVKNVTMSAQYSQP-NWDGAFQWSA-N 2 2 285.388 -0.205 20 0 CBADLP COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000599018205 355460406 /nfs/dbraw/zinc/46/04/06/355460406.db2.gz HIKWNYFNLWEHAM-FIQHERPVSA-N 2 2 256.346 -0.160 20 0 CBADLP COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000599018205 355460409 /nfs/dbraw/zinc/46/04/09/355460409.db2.gz HIKWNYFNLWEHAM-FIQHERPVSA-N 2 2 256.346 -0.160 20 0 CBADLP CCOC(=O)C[C@H](O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000599384682 355483938 /nfs/dbraw/zinc/48/39/38/355483938.db2.gz BXYQGCQAQLYKQW-NSHDSACASA-N 2 2 282.344 -0.154 20 0 CBADLP Nc1ncccc1C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000600708198 355561971 /nfs/dbraw/zinc/56/19/71/355561971.db2.gz DLTXUMQNTOPPCR-WDEREUQCSA-N 2 2 261.329 -0.592 20 0 CBADLP Nc1ncccc1C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000600708198 355561975 /nfs/dbraw/zinc/56/19/75/355561975.db2.gz DLTXUMQNTOPPCR-WDEREUQCSA-N 2 2 261.329 -0.592 20 0 CBADLP C[C@H](NC(=O)[C@H]1CCC[NH2+]1)[C@H](C)[NH+]1CCOCC1 ZINC000246558172 299231220 /nfs/dbraw/zinc/23/12/20/299231220.db2.gz UGELVUFZPAXQPQ-SDDRHHMPSA-N 2 2 255.362 -0.036 20 0 CBADLP COC(=O)[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)CC[N@H+](C)C1 ZINC000600011001 355523344 /nfs/dbraw/zinc/52/33/44/355523344.db2.gz GEBWOKJVIPVRKK-LBPRGKRZSA-N 2 2 294.355 -0.245 20 0 CBADLP COC(=O)[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)CC[N@@H+](C)C1 ZINC000600011001 355523346 /nfs/dbraw/zinc/52/33/46/355523346.db2.gz GEBWOKJVIPVRKK-LBPRGKRZSA-N 2 2 294.355 -0.245 20 0 CBADLP COC(=O)CCC[NH+]1CCC([NH+](CCO)CCO)CC1 ZINC000600179845 355527400 /nfs/dbraw/zinc/52/74/00/355527400.db2.gz ZHUHLEHFAKZHAG-UHFFFAOYSA-N 2 2 288.388 -0.309 20 0 CBADLP CN1CC[N@H+](C)[C@@H](CNC(=O)NCC2CC[NH+](C)CC2)C1 ZINC000601317591 355584445 /nfs/dbraw/zinc/58/44/45/355584445.db2.gz ZTRGGDJYLCJFOZ-AWEZNQCLSA-N 2 2 297.447 -0.127 20 0 CBADLP CN1CC[N@@H+](C)[C@@H](CNC(=O)NCC2CC[NH+](C)CC2)C1 ZINC000601317591 355584446 /nfs/dbraw/zinc/58/44/46/355584446.db2.gz ZTRGGDJYLCJFOZ-AWEZNQCLSA-N 2 2 297.447 -0.127 20 0 CBADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+]([C@@H]3CCN(C4CCC4)C3=O)CCN2C1=O ZINC000601326601 355586159 /nfs/dbraw/zinc/58/61/59/355586159.db2.gz UJVHYCMMPKHZRH-JHJVBQTASA-N 2 2 292.383 -0.616 20 0 CBADLP [NH3+][C@@H]1C[C@@H]2C[N@H+]([C@@H]3CCN(C4CCC4)C3=O)CCN2C1=O ZINC000601326601 355586161 /nfs/dbraw/zinc/58/61/61/355586161.db2.gz UJVHYCMMPKHZRH-JHJVBQTASA-N 2 2 292.383 -0.616 20 0 CBADLP COC(=O)CN(C)C(=O)CC[N@@H+]1C[C@H]([NH3+])C[C@H]1C ZINC000601330555 355587731 /nfs/dbraw/zinc/58/77/31/355587731.db2.gz UVSHUIHJFPSLSD-NXEZZACHSA-N 2 2 257.334 -0.571 20 0 CBADLP COC(=O)CN(C)C(=O)CC[N@H+]1C[C@H]([NH3+])C[C@H]1C ZINC000601330555 355587734 /nfs/dbraw/zinc/58/77/34/355587734.db2.gz UVSHUIHJFPSLSD-NXEZZACHSA-N 2 2 257.334 -0.571 20 0 CBADLP CNC(=O)NC(=O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601334521 355588317 /nfs/dbraw/zinc/58/83/17/355588317.db2.gz MDRSPOPTQCAPQL-UWVGGRQHSA-N 2 2 254.334 -0.484 20 0 CBADLP CNC(=O)NC(=O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601334521 355588320 /nfs/dbraw/zinc/58/83/20/355588320.db2.gz MDRSPOPTQCAPQL-UWVGGRQHSA-N 2 2 254.334 -0.484 20 0 CBADLP CCOC(=O)C[C@H](CO)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000600741317 355564321 /nfs/dbraw/zinc/56/43/21/355564321.db2.gz FIIYJDPXGWYQLN-NEPJUHHUSA-N 2 2 274.361 -0.653 20 0 CBADLP COC(=O)c1cn(CC[N@H+](C)CCC[NH+](C)C)nn1 ZINC000600976464 355573620 /nfs/dbraw/zinc/57/36/20/355573620.db2.gz OTEFIIMYWSCANR-UHFFFAOYSA-N 2 2 269.349 -0.052 20 0 CBADLP COC(=O)c1cn(CC[N@@H+](C)CCC[NH+](C)C)nn1 ZINC000600976464 355573623 /nfs/dbraw/zinc/57/36/23/355573623.db2.gz OTEFIIMYWSCANR-UHFFFAOYSA-N 2 2 269.349 -0.052 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@H]3COCCO3)C2)CC1 ZINC000602201872 355640458 /nfs/dbraw/zinc/64/04/58/355640458.db2.gz OIQORUOMDUSPSU-GXTWGEPZSA-N 2 2 297.399 -0.314 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@H]3COCCO3)C2)CC1 ZINC000602201872 355640460 /nfs/dbraw/zinc/64/04/60/355640460.db2.gz OIQORUOMDUSPSU-GXTWGEPZSA-N 2 2 297.399 -0.314 20 0 CBADLP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)Cn1cc[nH+]c1C ZINC000602489993 355652709 /nfs/dbraw/zinc/65/27/09/355652709.db2.gz BPDKWPSMTOYDFC-LLVKDONJSA-N 2 2 280.328 -0.445 20 0 CBADLP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC000602492539 355653731 /nfs/dbraw/zinc/65/37/31/355653731.db2.gz MRMPVIAIVCWFOR-LLVKDONJSA-N 2 2 280.328 -0.376 20 0 CBADLP CCc1c[nH]c(CC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)[nH+]1 ZINC000602522703 355656690 /nfs/dbraw/zinc/65/66/90/355656690.db2.gz GBAWLSBTTUYQKV-MNOVXSKESA-N 2 2 291.355 -0.715 20 0 CBADLP CSCC[C@H]([NH3+])C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000602546931 355659981 /nfs/dbraw/zinc/65/99/81/355659981.db2.gz NFBCBKQPAYVDNH-ZJUUUORDSA-N 2 2 261.391 -0.486 20 0 CBADLP CSCC[C@H]([NH3+])C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000602546931 355659984 /nfs/dbraw/zinc/65/99/84/355659984.db2.gz NFBCBKQPAYVDNH-ZJUUUORDSA-N 2 2 261.391 -0.486 20 0 CBADLP COc1c(C)[nH+]cnc1N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000601983053 355624660 /nfs/dbraw/zinc/62/46/60/355624660.db2.gz KNGFBQBQMYXHBS-UWVGGRQHSA-N 2 2 277.328 -0.458 20 0 CBADLP [NH3+][C@H]1C[C@@H]2CN(c3nc[nH+]c4c3OCCN4)CCN2C1=O ZINC000601982551 355624886 /nfs/dbraw/zinc/62/48/86/355624886.db2.gz HSEBZODWVMVGBY-BDAKNGLRSA-N 2 2 290.327 -0.971 20 0 CBADLP [NH3+][C@H]1C[C@@H]2CN(c3[nH+]cnc4c3OCCN4)CCN2C1=O ZINC000601982551 355624889 /nfs/dbraw/zinc/62/48/89/355624889.db2.gz HSEBZODWVMVGBY-BDAKNGLRSA-N 2 2 290.327 -0.971 20 0 CBADLP COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000602022293 355625568 /nfs/dbraw/zinc/62/55/68/355625568.db2.gz UCWNJLXNNRCDEH-NAKRPEOUSA-N 2 2 271.361 -0.360 20 0 CBADLP C[C@@H](CO)NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000604208182 355723192 /nfs/dbraw/zinc/72/31/92/355723192.db2.gz HQOGRUDNFJOYJZ-NWDGAFQWSA-N 2 2 284.404 -0.165 20 0 CBADLP C[C@@H](CO)NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000604208182 355723197 /nfs/dbraw/zinc/72/31/97/355723197.db2.gz HQOGRUDNFJOYJZ-NWDGAFQWSA-N 2 2 284.404 -0.165 20 0 CBADLP Cn1c[nH+]cc1CC[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000603429684 355715426 /nfs/dbraw/zinc/71/54/26/355715426.db2.gz OVOURYUTMSWZRP-RYUDHWBXSA-N 3 2 263.345 -0.794 20 0 CBADLP Cn1c[nH+]cc1CC[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000603429684 355715427 /nfs/dbraw/zinc/71/54/27/355715427.db2.gz OVOURYUTMSWZRP-RYUDHWBXSA-N 3 2 263.345 -0.794 20 0 CBADLP Cn1c[nH+]cc1CCN1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000603429684 355715431 /nfs/dbraw/zinc/71/54/31/355715431.db2.gz OVOURYUTMSWZRP-RYUDHWBXSA-N 2 2 263.345 -0.794 20 0 CBADLP Cn1cncc1CC[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000603429684 355715434 /nfs/dbraw/zinc/71/54/34/355715434.db2.gz OVOURYUTMSWZRP-RYUDHWBXSA-N 2 2 263.345 -0.794 20 0 CBADLP Cn1cncc1CC[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000603429684 355715436 /nfs/dbraw/zinc/71/54/36/355715436.db2.gz OVOURYUTMSWZRP-RYUDHWBXSA-N 2 2 263.345 -0.794 20 0 CBADLP CCOC(=O)C[C@@H](O)C[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000602876999 355679506 /nfs/dbraw/zinc/67/95/06/355679506.db2.gz JJRHZUGATVZWKV-OCCSQVGLSA-N 2 2 288.388 -0.311 20 0 CBADLP CCOC(=O)C[C@@H](O)C[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000602876999 355679509 /nfs/dbraw/zinc/67/95/09/355679509.db2.gz JJRHZUGATVZWKV-OCCSQVGLSA-N 2 2 288.388 -0.311 20 0 CBADLP CCOC(=O)C[C@H](O)C[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000602876997 355679809 /nfs/dbraw/zinc/67/98/09/355679809.db2.gz JJRHZUGATVZWKV-GXTWGEPZSA-N 2 2 288.388 -0.311 20 0 CBADLP CCOC(=O)C[C@H](O)C[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000602876997 355679810 /nfs/dbraw/zinc/67/98/10/355679810.db2.gz JJRHZUGATVZWKV-GXTWGEPZSA-N 2 2 288.388 -0.311 20 0 CBADLP CC(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000605575570 355735390 /nfs/dbraw/zinc/73/53/90/355735390.db2.gz HNROONTYVKQOMT-VGWMRTNUSA-N 4 2 278.444 -0.075 20 0 CBADLP C[C@@H](NC(=O)C1([NH+](C)C)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000612671345 355845529 /nfs/dbraw/zinc/84/55/29/355845529.db2.gz SCPHDIMKMAIKTF-MNOVXSKESA-N 2 2 255.362 -0.084 20 0 CBADLP C[C@@H](NC(=O)C1([NH+](C)C)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000612671345 355845531 /nfs/dbraw/zinc/84/55/31/355845531.db2.gz SCPHDIMKMAIKTF-MNOVXSKESA-N 2 2 255.362 -0.084 20 0 CBADLP C[NH+](C)C1(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)CC1 ZINC000612747662 355849636 /nfs/dbraw/zinc/84/96/36/355849636.db2.gz NSLTWISMJMNENK-LLVKDONJSA-N 2 2 252.362 -0.803 20 0 CBADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000612748543 355850056 /nfs/dbraw/zinc/85/00/56/355850056.db2.gz XRVHBOKCXVNEIH-YNEHKIRRSA-N 2 2 289.383 -0.360 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000612877178 355854330 /nfs/dbraw/zinc/85/43/30/355854330.db2.gz WPXAVDJXGCFFPL-DGCLKSJQSA-N 2 2 270.377 -0.242 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000612877178 355854332 /nfs/dbraw/zinc/85/43/32/355854332.db2.gz WPXAVDJXGCFFPL-DGCLKSJQSA-N 2 2 270.377 -0.242 20 0 CBADLP CN1CC[N@H+](C)[C@H](CNC(=O)N[C@H]2CC23CC[NH2+]CC3)C1 ZINC000612972013 355858706 /nfs/dbraw/zinc/85/87/06/355858706.db2.gz RFRAAMXDXJUWQI-OLZOCXBDSA-N 2 2 295.431 -0.327 20 0 CBADLP CN1CC[N@@H+](C)[C@H](CNC(=O)N[C@H]2CC23CC[NH2+]CC3)C1 ZINC000612972013 355858708 /nfs/dbraw/zinc/85/87/08/355858708.db2.gz RFRAAMXDXJUWQI-OLZOCXBDSA-N 2 2 295.431 -0.327 20 0 CBADLP C[N@@H+]1CCN(C(=O)N[C@H]2CC23CC[NH2+]CC3)[C@H](C[NH3+])C1 ZINC000612994392 355860639 /nfs/dbraw/zinc/86/06/39/355860639.db2.gz SNHVVSIWCCPPOW-NEPJUHHUSA-N 3 2 281.404 -0.587 20 0 CBADLP C[N@H+]1CCN(C(=O)N[C@H]2CC23CC[NH2+]CC3)[C@H](C[NH3+])C1 ZINC000612994392 355860641 /nfs/dbraw/zinc/86/06/41/355860641.db2.gz SNHVVSIWCCPPOW-NEPJUHHUSA-N 3 2 281.404 -0.587 20 0 CBADLP CCCC[C@@H](CNC(=O)C[NH+](C)C)NC(=O)C[NH+](C)C ZINC000612288141 355828208 /nfs/dbraw/zinc/82/82/08/355828208.db2.gz JTBXFYAHIXYXRO-LBPRGKRZSA-N 2 2 286.420 -0.099 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000614065625 355932976 /nfs/dbraw/zinc/93/29/76/355932976.db2.gz RCDUYXWFOHTRKX-AWEZNQCLSA-N 2 2 280.372 -0.122 20 0 CBADLP C[NH+](C)C[C@H](CO)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000614841654 355988460 /nfs/dbraw/zinc/98/84/60/355988460.db2.gz GCQJBROZPCUADU-GHMZBOCLSA-N 2 2 266.345 -0.516 20 0 CBADLP C[NH+](C)C[C@H](CO)NC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000614846572 355989323 /nfs/dbraw/zinc/98/93/23/355989323.db2.gz IEXBSUDTIIZWNV-GFCCVEGCSA-N 2 2 285.388 -0.720 20 0 CBADLP C[NH+](C)C[C@@H](CO)NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000614855839 355993402 /nfs/dbraw/zinc/99/34/02/355993402.db2.gz ZUBXYSBGAPWRTR-JTQLQIEISA-N 2 2 290.327 -0.685 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000614504763 355963917 /nfs/dbraw/zinc/96/39/17/355963917.db2.gz FFUYVZUDELJOIK-GFCCVEGCSA-N 2 2 263.345 -0.611 20 0 CBADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000614504763 355963921 /nfs/dbraw/zinc/96/39/21/355963921.db2.gz FFUYVZUDELJOIK-GFCCVEGCSA-N 2 2 263.345 -0.611 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000614510571 355966966 /nfs/dbraw/zinc/96/69/66/355966966.db2.gz ARZOTXANTHSIPU-CYBMUJFWSA-N 2 2 277.372 -0.302 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000614510571 355966967 /nfs/dbraw/zinc/96/69/67/355966967.db2.gz ARZOTXANTHSIPU-CYBMUJFWSA-N 2 2 277.372 -0.302 20 0 CBADLP C[NH+](C)[C@H]1CN(C(=O)[C@H]2CCc3[nH+]c[nH]c3C2)C[C@@H]1O ZINC000615080175 356009179 /nfs/dbraw/zinc/00/91/79/356009179.db2.gz OSFBAQUZGSYPRU-XDTLVQLUSA-N 2 2 278.356 -0.352 20 0 CBADLP C[NH+](C)[C@H]1CN(C(=O)[C@H]2CCc3[nH]c[nH+]c3C2)C[C@@H]1O ZINC000615080175 356009181 /nfs/dbraw/zinc/00/91/81/356009181.db2.gz OSFBAQUZGSYPRU-XDTLVQLUSA-N 2 2 278.356 -0.352 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC(C[NH+]3CCOCC3)C2)C1 ZINC000615145724 356011815 /nfs/dbraw/zinc/01/18/15/356011815.db2.gz GMBYOKXGGCTTRG-CQSZACIVSA-N 2 2 297.399 -0.502 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC(C[NH+]3CCOCC3)C2)C1 ZINC000615145724 356011819 /nfs/dbraw/zinc/01/18/19/356011819.db2.gz GMBYOKXGGCTTRG-CQSZACIVSA-N 2 2 297.399 -0.502 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC(C[NH+]3CCOCC3)C2)C1 ZINC000615145723 356012404 /nfs/dbraw/zinc/01/24/04/356012404.db2.gz GMBYOKXGGCTTRG-AWEZNQCLSA-N 2 2 297.399 -0.502 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)N2CC(C[NH+]3CCOCC3)C2)C1 ZINC000615145723 356012406 /nfs/dbraw/zinc/01/24/06/356012406.db2.gz GMBYOKXGGCTTRG-AWEZNQCLSA-N 2 2 297.399 -0.502 20 0 CBADLP CN(Cc1c[nH+]c[nH]1)C(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000616927028 356115988 /nfs/dbraw/zinc/11/59/88/356115988.db2.gz YQENSEKQKMZGME-LBPRGKRZSA-N 2 2 263.345 -0.242 20 0 CBADLP CN(Cc1c[nH]c[nH+]1)C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000616927028 356115991 /nfs/dbraw/zinc/11/59/91/356115991.db2.gz YQENSEKQKMZGME-LBPRGKRZSA-N 2 2 263.345 -0.242 20 0 CBADLP CN(Cc1c[nH]c[nH+]1)C(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000616927028 356115992 /nfs/dbraw/zinc/11/59/92/356115992.db2.gz YQENSEKQKMZGME-LBPRGKRZSA-N 2 2 263.345 -0.242 20 0 CBADLP C[C@@H]1C[N@H+](CCO)CCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000616153874 356068413 /nfs/dbraw/zinc/06/84/13/356068413.db2.gz CTPWMUMXUHKWOY-CHWSQXEVSA-N 2 2 292.383 -0.030 20 0 CBADLP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000616153874 356068418 /nfs/dbraw/zinc/06/84/18/356068418.db2.gz CTPWMUMXUHKWOY-CHWSQXEVSA-N 2 2 292.383 -0.030 20 0 CBADLP COCC(COC)[NH+]1CCN(C(=O)C2([NH+](C)C)CC2)CC1 ZINC000616254542 356076145 /nfs/dbraw/zinc/07/61/45/356076145.db2.gz KBHQYJLVAZVVPT-UHFFFAOYSA-N 2 2 299.415 -0.114 20 0 CBADLP CCNC(=O)CC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617765214 356155399 /nfs/dbraw/zinc/15/53/99/356155399.db2.gz XPOVHQMHMFSMOG-UHFFFAOYSA-N 2 2 272.393 -0.488 20 0 CBADLP CCNC(=O)CC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617765214 356155406 /nfs/dbraw/zinc/15/54/06/356155406.db2.gz XPOVHQMHMFSMOG-UHFFFAOYSA-N 2 2 272.393 -0.488 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC000617764200 356155599 /nfs/dbraw/zinc/15/55/99/356155599.db2.gz MKRJNBNPLIUVIZ-CYBMUJFWSA-N 3 2 270.421 -0.062 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC000617764200 356155602 /nfs/dbraw/zinc/15/56/02/356155602.db2.gz MKRJNBNPLIUVIZ-CYBMUJFWSA-N 3 2 270.421 -0.062 20 0 CBADLP C[NH+](C)CCC[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000617764200 356155604 /nfs/dbraw/zinc/15/56/04/356155604.db2.gz MKRJNBNPLIUVIZ-CYBMUJFWSA-N 3 2 270.421 -0.062 20 0 CBADLP C[NH+](C)CCC[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000617764200 356155607 /nfs/dbraw/zinc/15/56/07/356155607.db2.gz MKRJNBNPLIUVIZ-CYBMUJFWSA-N 3 2 270.421 -0.062 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(C)(C)C(N)=O ZINC000617765194 356155860 /nfs/dbraw/zinc/15/58/60/356155860.db2.gz WWNUOBKFACKMQU-UHFFFAOYSA-N 2 2 272.393 -0.502 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(C)(C)C(N)=O ZINC000617765194 356155864 /nfs/dbraw/zinc/15/58/64/356155864.db2.gz WWNUOBKFACKMQU-UHFFFAOYSA-N 2 2 272.393 -0.502 20 0 CBADLP C[C@@H](CC(=O)NCC[N@H+](C)CCC[NH+](C)C)NC(N)=O ZINC000617763671 356155904 /nfs/dbraw/zinc/15/59/04/356155904.db2.gz XARLIUDAYLAPSV-NSHDSACASA-N 2 2 287.408 -0.567 20 0 CBADLP C[C@@H](CC(=O)NCC[N@@H+](C)CCC[NH+](C)C)NC(N)=O ZINC000617763671 356155908 /nfs/dbraw/zinc/15/59/08/356155908.db2.gz XARLIUDAYLAPSV-NSHDSACASA-N 2 2 287.408 -0.567 20 0 CBADLP Cn1nncc1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617764427 356155916 /nfs/dbraw/zinc/15/59/16/356155916.db2.gz XAYYZZGTAKYUOJ-UHFFFAOYSA-N 2 2 268.365 -0.572 20 0 CBADLP Cn1nncc1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617764427 356155919 /nfs/dbraw/zinc/15/59/19/356155919.db2.gz XAYYZZGTAKYUOJ-UHFFFAOYSA-N 2 2 268.365 -0.572 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C[C@@H]1CCC(=O)NC1 ZINC000617762827 356155995 /nfs/dbraw/zinc/15/59/95/356155995.db2.gz ZYPLVFGGWWOCPW-ZDUSSCGKSA-N 2 2 298.431 -0.098 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C[C@@H]1CCC(=O)NC1 ZINC000617762827 356156000 /nfs/dbraw/zinc/15/60/00/356156000.db2.gz ZYPLVFGGWWOCPW-ZDUSSCGKSA-N 2 2 298.431 -0.098 20 0 CBADLP CNC(=O)CC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617765272 356156638 /nfs/dbraw/zinc/15/66/38/356156638.db2.gz ZFOOZHFZJPZCLH-UHFFFAOYSA-N 2 2 258.366 -0.878 20 0 CBADLP CNC(=O)CC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617765272 356156641 /nfs/dbraw/zinc/15/66/41/356156641.db2.gz ZFOOZHFZJPZCLH-UHFFFAOYSA-N 2 2 258.366 -0.878 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1CCC(=O)N1 ZINC000617766449 356156748 /nfs/dbraw/zinc/15/67/48/356156748.db2.gz KXLSOIASCULLME-LLVKDONJSA-N 2 2 270.377 -0.735 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1CCC(=O)N1 ZINC000617766449 356156752 /nfs/dbraw/zinc/15/67/52/356156752.db2.gz KXLSOIASCULLME-LLVKDONJSA-N 2 2 270.377 -0.735 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N(C)CC1C[NH+](C)C1 ZINC000618194917 356179066 /nfs/dbraw/zinc/17/90/66/356179066.db2.gz NSOMCDYSONQNNY-UHFFFAOYSA-N 2 2 284.404 -0.537 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N(C)CC1C[NH+](C)C1 ZINC000618194917 356179069 /nfs/dbraw/zinc/17/90/69/356179069.db2.gz NSOMCDYSONQNNY-UHFFFAOYSA-N 2 2 284.404 -0.537 20 0 CBADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C[NH+](C)C ZINC000617505049 356138963 /nfs/dbraw/zinc/13/89/63/356138963.db2.gz VBJFFLWRWKFWAZ-LBPRGKRZSA-N 3 2 258.410 -0.064 20 0 CBADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C[NH+](C)C ZINC000617505049 356138964 /nfs/dbraw/zinc/13/89/64/356138964.db2.gz VBJFFLWRWKFWAZ-LBPRGKRZSA-N 3 2 258.410 -0.064 20 0 CBADLP CCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@H]1CC[N@H+](C)C1 ZINC000617555222 356141690 /nfs/dbraw/zinc/14/16/90/356141690.db2.gz RNBAGQBSBDGANV-NWDGAFQWSA-N 2 2 255.362 -0.130 20 0 CBADLP CCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@H]1CC[N@@H+](C)C1 ZINC000617555222 356141693 /nfs/dbraw/zinc/14/16/93/356141693.db2.gz RNBAGQBSBDGANV-NWDGAFQWSA-N 2 2 255.362 -0.130 20 0 CBADLP CCN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@H]1CC[NH+](C)C1 ZINC000617555222 356141698 /nfs/dbraw/zinc/14/16/98/356141698.db2.gz RNBAGQBSBDGANV-NWDGAFQWSA-N 2 2 255.362 -0.130 20 0 CBADLP CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@H]1CC[NH+](C)C1 ZINC000617555222 356141702 /nfs/dbraw/zinc/14/17/02/356141702.db2.gz RNBAGQBSBDGANV-NWDGAFQWSA-N 2 2 255.362 -0.130 20 0 CBADLP CC(C)[C@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC[NH2+]1 ZINC000621154912 356257334 /nfs/dbraw/zinc/25/73/34/356257334.db2.gz VCGINVIGOBXWHL-NEPJUHHUSA-N 2 2 255.362 -0.227 20 0 CBADLP CC(C)[C@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC[NH2+]1 ZINC000621154912 356257336 /nfs/dbraw/zinc/25/73/36/356257336.db2.gz VCGINVIGOBXWHL-NEPJUHHUSA-N 2 2 255.362 -0.227 20 0 CBADLP CNS(=O)(=O)CC[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000621299011 356267688 /nfs/dbraw/zinc/26/76/88/356267688.db2.gz QQLJIRDABPHXME-LBPRGKRZSA-N 2 2 275.418 -0.047 20 0 CBADLP CNS(=O)(=O)CC[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000621299011 356267693 /nfs/dbraw/zinc/26/76/93/356267693.db2.gz QQLJIRDABPHXME-LBPRGKRZSA-N 2 2 275.418 -0.047 20 0 CBADLP CNS(=O)(=O)CC[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000621299011 356267697 /nfs/dbraw/zinc/26/76/97/356267697.db2.gz QQLJIRDABPHXME-LBPRGKRZSA-N 2 2 275.418 -0.047 20 0 CBADLP CNS(=O)(=O)CC[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000621299011 356267702 /nfs/dbraw/zinc/26/77/02/356267702.db2.gz QQLJIRDABPHXME-LBPRGKRZSA-N 2 2 275.418 -0.047 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)[C@@H](CO)C1 ZINC000621373337 356274419 /nfs/dbraw/zinc/27/44/19/356274419.db2.gz GXIRCYCFIUMLFO-MCIONIFRSA-N 2 2 274.405 -0.124 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)[C@@H](CO)C1 ZINC000621373337 356274420 /nfs/dbraw/zinc/27/44/20/356274420.db2.gz GXIRCYCFIUMLFO-MCIONIFRSA-N 2 2 274.405 -0.124 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](C)[C@@H](CO)C1 ZINC000621373337 356274422 /nfs/dbraw/zinc/27/44/22/356274422.db2.gz GXIRCYCFIUMLFO-MCIONIFRSA-N 2 2 274.405 -0.124 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](C)[C@@H](CO)C1 ZINC000621373337 356274423 /nfs/dbraw/zinc/27/44/23/356274423.db2.gz GXIRCYCFIUMLFO-MCIONIFRSA-N 2 2 274.405 -0.124 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621682286 356280594 /nfs/dbraw/zinc/28/05/94/356280594.db2.gz CNLLWUCILZICFN-SWLSCSKDSA-N 2 2 296.415 -0.217 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621682286 356280595 /nfs/dbraw/zinc/28/05/95/356280595.db2.gz CNLLWUCILZICFN-SWLSCSKDSA-N 2 2 296.415 -0.217 20 0 CBADLP CN(C)[C@H](C(=O)N1CC([NH+](C)C)C1)c1c[nH+]cn1C ZINC000622470273 356321756 /nfs/dbraw/zinc/32/17/56/356321756.db2.gz NXHBHLPQMULQIM-LBPRGKRZSA-N 2 2 265.361 -0.205 20 0 CBADLP CNS(=O)(=O)CCC[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621781904 356284278 /nfs/dbraw/zinc/28/42/78/356284278.db2.gz JVBKDJNSFWQOGI-QWRGUYRKSA-N 2 2 261.391 -0.261 20 0 CBADLP CNS(=O)(=O)CCC[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621781904 356284280 /nfs/dbraw/zinc/28/42/80/356284280.db2.gz JVBKDJNSFWQOGI-QWRGUYRKSA-N 2 2 261.391 -0.261 20 0 CBADLP C[N@@H+]1CC[C@](O)(CNC(=O)C(C)(C)c2c[nH]c[nH+]2)C1 ZINC000621954573 356296518 /nfs/dbraw/zinc/29/65/18/356296518.db2.gz BECDHRQFWVJCQU-ZDUSSCGKSA-N 2 2 266.345 -0.130 20 0 CBADLP C[N@H+]1CC[C@](O)(CNC(=O)C(C)(C)c2c[nH]c[nH+]2)C1 ZINC000621954573 356296522 /nfs/dbraw/zinc/29/65/22/356296522.db2.gz BECDHRQFWVJCQU-ZDUSSCGKSA-N 2 2 266.345 -0.130 20 0 CBADLP COCC[NH+]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000622369285 356317396 /nfs/dbraw/zinc/31/73/96/356317396.db2.gz FNQFSAYURJAEOF-CQSZACIVSA-N 2 2 299.415 -0.255 20 0 CBADLP CN1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)[C@@H](C[NH3+])C1 ZINC000623176506 356356975 /nfs/dbraw/zinc/35/69/75/356356975.db2.gz CHBKOTZSPTXEKY-RYUDHWBXSA-N 2 2 277.372 -0.453 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000623264835 356357990 /nfs/dbraw/zinc/35/79/90/356357990.db2.gz VHMYVXYEXFQFOJ-JQWIXIFHSA-N 2 2 264.329 -0.355 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000623264835 356357994 /nfs/dbraw/zinc/35/79/94/356357994.db2.gz VHMYVXYEXFQFOJ-JQWIXIFHSA-N 2 2 264.329 -0.355 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1 ZINC000623264836 356358372 /nfs/dbraw/zinc/35/83/72/356358372.db2.gz VHMYVXYEXFQFOJ-PWSUYJOCSA-N 2 2 264.329 -0.355 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1 ZINC000623264836 356358375 /nfs/dbraw/zinc/35/83/75/356358375.db2.gz VHMYVXYEXFQFOJ-PWSUYJOCSA-N 2 2 264.329 -0.355 20 0 CBADLP C[N@H+](CCNC(=O)NC[C@H]1COCC[NH+]1C)C1CC1 ZINC000623718501 356372078 /nfs/dbraw/zinc/37/20/78/356372078.db2.gz MXHWFFJKFFUJLW-LBPRGKRZSA-N 2 2 270.377 -0.290 20 0 CBADLP C[N@@H+](CCNC(=O)NC[C@H]1COCC[NH+]1C)C1CC1 ZINC000623718501 356372080 /nfs/dbraw/zinc/37/20/80/356372080.db2.gz MXHWFFJKFFUJLW-LBPRGKRZSA-N 2 2 270.377 -0.290 20 0 CBADLP C[NH+](CCNC(=O)NC[C@H]1COCC[N@@H+]1C)C1CC1 ZINC000623718501 356372084 /nfs/dbraw/zinc/37/20/84/356372084.db2.gz MXHWFFJKFFUJLW-LBPRGKRZSA-N 2 2 270.377 -0.290 20 0 CBADLP C[NH+](CCNC(=O)NC[C@H]1COCC[N@H+]1C)C1CC1 ZINC000623718501 356372088 /nfs/dbraw/zinc/37/20/88/356372088.db2.gz MXHWFFJKFFUJLW-LBPRGKRZSA-N 2 2 270.377 -0.290 20 0 CBADLP C[NH+]1CCOC[C@H]1CNC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000623721880 356373131 /nfs/dbraw/zinc/37/31/31/356373131.db2.gz UTQRFNZLUARHGG-CHWSQXEVSA-N 2 2 284.404 -0.042 20 0 CBADLP C[NH+]1CCOC[C@H]1CNC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000623721880 356373133 /nfs/dbraw/zinc/37/31/33/356373133.db2.gz UTQRFNZLUARHGG-CHWSQXEVSA-N 2 2 284.404 -0.042 20 0 CBADLP C[NH+]1CCC[C@H](CNC(=O)NC[C@@H]2COCC[N@@H+]2C)C1 ZINC000623721880 356373135 /nfs/dbraw/zinc/37/31/35/356373135.db2.gz UTQRFNZLUARHGG-CHWSQXEVSA-N 2 2 284.404 -0.042 20 0 CBADLP C[NH+]1CCC[C@H](CNC(=O)NC[C@@H]2COCC[N@H+]2C)C1 ZINC000623721880 356373139 /nfs/dbraw/zinc/37/31/39/356373139.db2.gz UTQRFNZLUARHGG-CHWSQXEVSA-N 2 2 284.404 -0.042 20 0 CBADLP Cc1[nH+]cc(C[NH2+]C2CN(S(=O)(=O)N(C)C)C2)n1C ZINC000623795332 356376417 /nfs/dbraw/zinc/37/64/17/356376417.db2.gz WSOQJTQMXPBVKO-UHFFFAOYSA-N 2 2 287.389 -0.691 20 0 CBADLP C[C@@H]1C[N@H+](C(C)(C)CNc2nc(N)[nH+]c(N)n2)C[C@H](C)O1 ZINC000623829124 356378658 /nfs/dbraw/zinc/37/86/58/356378658.db2.gz XEXOHFQMLJJIQO-DTORHVGOSA-N 2 2 295.391 -0.582 20 0 CBADLP C[C@@H]1C[N@@H+](C(C)(C)CNc2nc(N)[nH+]c(N)n2)C[C@H](C)O1 ZINC000623829124 356378659 /nfs/dbraw/zinc/37/86/59/356378659.db2.gz XEXOHFQMLJJIQO-DTORHVGOSA-N 2 2 295.391 -0.582 20 0 CBADLP Cc1[nH+]ccn1CCCCNc1nc(N)[nH+]c(N)n1 ZINC000623992228 356386208 /nfs/dbraw/zinc/38/62/08/356386208.db2.gz HGAKQGOAMFJYEQ-UHFFFAOYSA-N 2 2 262.321 -0.484 20 0 CBADLP Cc1[nH+]ccn1CCCCNc1nc(N)nc(N)[nH+]1 ZINC000623992228 356386211 /nfs/dbraw/zinc/38/62/11/356386211.db2.gz HGAKQGOAMFJYEQ-UHFFFAOYSA-N 2 2 262.321 -0.484 20 0 CBADLP C[C@@H]1C[N@@H+](CCCCNc2nc(N)nc(N)[nH+]2)C[C@H](C)O1 ZINC000624027359 356390272 /nfs/dbraw/zinc/39/02/72/356390272.db2.gz QSVPDMSLKVJNQC-AOOOYVTPSA-N 2 2 295.391 -0.580 20 0 CBADLP C[C@@H]1C[N@H+](CCCCNc2nc(N)nc(N)[nH+]2)C[C@H](C)O1 ZINC000624027359 356390274 /nfs/dbraw/zinc/39/02/74/356390274.db2.gz QSVPDMSLKVJNQC-AOOOYVTPSA-N 2 2 295.391 -0.580 20 0 CBADLP C[C@@H](CNC(=O)NC[C@H]1COCC[N@@H+]1C)[NH+](C)C ZINC000624164967 356400698 /nfs/dbraw/zinc/40/06/98/356400698.db2.gz RKFLZYFTXWSKQP-QWRGUYRKSA-N 2 2 258.366 -0.434 20 0 CBADLP C[C@@H](CNC(=O)NC[C@H]1COCC[N@H+]1C)[NH+](C)C ZINC000624164967 356400700 /nfs/dbraw/zinc/40/07/00/356400700.db2.gz RKFLZYFTXWSKQP-QWRGUYRKSA-N 2 2 258.366 -0.434 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)NCCn1cc[nH+]c1 ZINC000623705129 356370965 /nfs/dbraw/zinc/37/09/65/356370965.db2.gz GZRCCZPPRSNMFN-NSHDSACASA-N 2 2 267.333 -0.487 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)NCCn1cc[nH+]c1 ZINC000623705129 356370966 /nfs/dbraw/zinc/37/09/66/356370966.db2.gz GZRCCZPPRSNMFN-NSHDSACASA-N 2 2 267.333 -0.487 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNc1cc[nH+]cc1C(N)=O ZINC000624621075 356427199 /nfs/dbraw/zinc/42/71/99/356427199.db2.gz SRYBMQPWKPDZAA-SECBINFHSA-N 2 2 250.302 -0.655 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNc1cc[nH+]cc1C(N)=O ZINC000624621075 356427202 /nfs/dbraw/zinc/42/72/02/356427202.db2.gz SRYBMQPWKPDZAA-SECBINFHSA-N 2 2 250.302 -0.655 20 0 CBADLP OCC1(C[NH+]2CCC([NH+]3CCOCC3)CC2)COC1 ZINC000625548804 356474188 /nfs/dbraw/zinc/47/41/88/356474188.db2.gz HCZQHLIVRWQFOA-UHFFFAOYSA-N 2 2 270.373 -0.208 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000625898295 356496520 /nfs/dbraw/zinc/49/65/20/356496520.db2.gz MKVICEIDNUISMK-BDAKNGLRSA-N 2 2 298.309 -0.104 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000625898295 356496522 /nfs/dbraw/zinc/49/65/22/356496522.db2.gz MKVICEIDNUISMK-BDAKNGLRSA-N 2 2 298.309 -0.104 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)Nc1ncccc1C[NH3+] ZINC000625897895 356496862 /nfs/dbraw/zinc/49/68/62/356496862.db2.gz ZEUFKXHUKBSTRC-NSHDSACASA-N 2 2 279.344 -0.008 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)Nc1ncccc1C[NH3+] ZINC000625897895 356496866 /nfs/dbraw/zinc/49/68/66/356496866.db2.gz ZEUFKXHUKBSTRC-NSHDSACASA-N 2 2 279.344 -0.008 20 0 CBADLP O=C(Nc1ccc2[nH+]ccn2c1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000626913871 356555427 /nfs/dbraw/zinc/55/54/27/356555427.db2.gz DQFGWVOHNIGZTL-SECBINFHSA-N 2 2 273.296 -0.249 20 0 CBADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000627021158 356568055 /nfs/dbraw/zinc/56/80/55/356568055.db2.gz RKGZEUHYDQQSIK-NWDGAFQWSA-N 2 2 282.388 -0.099 20 0 CBADLP CC[NH2+]CCCNC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000627064723 356571379 /nfs/dbraw/zinc/57/13/79/356571379.db2.gz UJELBXCJAFQFDW-LLVKDONJSA-N 2 2 258.366 -0.384 20 0 CBADLP CC[NH2+]CCCNC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000627064723 356571380 /nfs/dbraw/zinc/57/13/80/356571380.db2.gz UJELBXCJAFQFDW-LLVKDONJSA-N 2 2 258.366 -0.384 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)NCC1CC[NH2+]CC1 ZINC000627067259 356572478 /nfs/dbraw/zinc/57/24/78/356572478.db2.gz APASHNDVFGGCKL-GFCCVEGCSA-N 2 2 270.377 -0.384 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)NCC1CC[NH2+]CC1 ZINC000627067259 356572481 /nfs/dbraw/zinc/57/24/81/356572481.db2.gz APASHNDVFGGCKL-GFCCVEGCSA-N 2 2 270.377 -0.384 20 0 CBADLP [NH3+]C1(CNC(=O)NCC[NH+]2CCOCC2)CCOCC1 ZINC000627156065 356590339 /nfs/dbraw/zinc/59/03/39/356590339.db2.gz RGDUTVXRNXUZSG-UHFFFAOYSA-N 2 2 286.376 -0.874 20 0 CBADLP C[N@@H+]1CCOC[C@H]1CNC(=O)NC1CCC([NH3+])CC1 ZINC000627076652 356575712 /nfs/dbraw/zinc/57/57/12/356575712.db2.gz GWBRYHNAMUUJRK-HTAVTVPLSA-N 2 2 270.377 -0.114 20 0 CBADLP C[N@H+]1CCOC[C@H]1CNC(=O)NC1CCC([NH3+])CC1 ZINC000627076652 356575716 /nfs/dbraw/zinc/57/57/16/356575716.db2.gz GWBRYHNAMUUJRK-HTAVTVPLSA-N 2 2 270.377 -0.114 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)NC[C@H]([NH3+])C1CC1 ZINC000627083029 356578253 /nfs/dbraw/zinc/57/82/53/356578253.db2.gz NKLOEWIRDXJURF-QWRGUYRKSA-N 2 2 256.350 -0.647 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)NC[C@H]([NH3+])C1CC1 ZINC000627083029 356578256 /nfs/dbraw/zinc/57/82/56/356578256.db2.gz NKLOEWIRDXJURF-QWRGUYRKSA-N 2 2 256.350 -0.647 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000627086250 356578945 /nfs/dbraw/zinc/57/89/45/356578945.db2.gz LYHJFZIZGXOLLI-NEPJUHHUSA-N 2 2 270.377 -0.242 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000627086250 356578948 /nfs/dbraw/zinc/57/89/48/356578948.db2.gz LYHJFZIZGXOLLI-NEPJUHHUSA-N 2 2 270.377 -0.242 20 0 CBADLP C[C@H](CCC[NH3+])NC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000627096351 356582032 /nfs/dbraw/zinc/58/20/32/356582032.db2.gz UHMKTDWFNAYTJG-MNOVXSKESA-N 2 2 258.366 -0.256 20 0 CBADLP C[C@H](CCC[NH3+])NC(=O)NC[C@H]1COCC[N@H+]1C ZINC000627096351 356582036 /nfs/dbraw/zinc/58/20/36/356582036.db2.gz UHMKTDWFNAYTJG-MNOVXSKESA-N 2 2 258.366 -0.256 20 0 CBADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627251258 356614223 /nfs/dbraw/zinc/61/42/23/356614223.db2.gz DGPLVFFQVBGDMH-JHJVBQTASA-N 2 2 282.388 -0.147 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000627182567 356595543 /nfs/dbraw/zinc/59/55/43/356595543.db2.gz ATSIQSMKUOZIDU-MJBXVCDLSA-N 2 2 296.415 -0.042 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000627182567 356595546 /nfs/dbraw/zinc/59/55/46/356595546.db2.gz ATSIQSMKUOZIDU-MJBXVCDLSA-N 2 2 296.415 -0.042 20 0 CBADLP C[C@H]([NH3+])[C@H]1CN(C(=O)NC[C@H]2COCC[N@@H+]2C)CCO1 ZINC000627182602 356595671 /nfs/dbraw/zinc/59/56/71/356595671.db2.gz BBWFYPKRYBWOQN-SDDRHHMPSA-N 2 2 286.376 -0.925 20 0 CBADLP C[C@H]([NH3+])[C@H]1CN(C(=O)NC[C@H]2COCC[N@H+]2C)CCO1 ZINC000627182602 356595672 /nfs/dbraw/zinc/59/56/72/356595672.db2.gz BBWFYPKRYBWOQN-SDDRHHMPSA-N 2 2 286.376 -0.925 20 0 CBADLP C[C@H]1CN(C(=O)NC[C@@H]2COCC[N@@H+]2C)CC[NH2+]1 ZINC000627183507 356595715 /nfs/dbraw/zinc/59/57/15/356595715.db2.gz LIOAGTNVCAKBDH-WDEREUQCSA-N 2 2 256.350 -0.680 20 0 CBADLP C[C@H]1CN(C(=O)NC[C@@H]2COCC[N@H+]2C)CC[NH2+]1 ZINC000627183507 356595718 /nfs/dbraw/zinc/59/57/18/356595718.db2.gz LIOAGTNVCAKBDH-WDEREUQCSA-N 2 2 256.350 -0.680 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CC[C@@H](C[NH3+])C1 ZINC000627183771 356595762 /nfs/dbraw/zinc/59/57/62/356595762.db2.gz MUBOXZKNSAHFMY-QWRGUYRKSA-N 2 2 256.350 -0.693 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N1CC[C@@H](C[NH3+])C1 ZINC000627183771 356595766 /nfs/dbraw/zinc/59/57/66/356595766.db2.gz MUBOXZKNSAHFMY-QWRGUYRKSA-N 2 2 256.350 -0.693 20 0 CBADLP C[C@H]1CN(C(=O)NC[C@H]2COCC[N@@H+]2C)CC[NH2+]1 ZINC000627183506 356596206 /nfs/dbraw/zinc/59/62/06/356596206.db2.gz LIOAGTNVCAKBDH-QWRGUYRKSA-N 2 2 256.350 -0.680 20 0 CBADLP C[C@H]1CN(C(=O)NC[C@H]2COCC[N@H+]2C)CC[NH2+]1 ZINC000627183506 356596211 /nfs/dbraw/zinc/59/62/11/356596211.db2.gz LIOAGTNVCAKBDH-QWRGUYRKSA-N 2 2 256.350 -0.680 20 0 CBADLP C[C@H]([NH3+])[C@H]1CCN(C(=O)NC[C@@H]2COCC[N@@H+]2C)C1 ZINC000627182749 356596222 /nfs/dbraw/zinc/59/62/22/356596222.db2.gz CTURUQBIMPAKDP-SDDRHHMPSA-N 2 2 270.377 -0.304 20 0 CBADLP C[C@H]([NH3+])[C@H]1CCN(C(=O)NC[C@@H]2COCC[N@H+]2C)C1 ZINC000627182749 356596228 /nfs/dbraw/zinc/59/62/28/356596228.db2.gz CTURUQBIMPAKDP-SDDRHHMPSA-N 2 2 270.377 -0.304 20 0 CBADLP C[C@@H]1CN(C(=O)NC[C@H]2COCC[N@@H+]2C)CC[C@H]1[NH3+] ZINC000627183778 356596643 /nfs/dbraw/zinc/59/66/43/356596643.db2.gz MXPDMLNCPLWSEY-GRYCIOLGSA-N 2 2 270.377 -0.304 20 0 CBADLP C[C@@H]1CN(C(=O)NC[C@H]2COCC[N@H+]2C)CC[C@H]1[NH3+] ZINC000627183778 356596644 /nfs/dbraw/zinc/59/66/44/356596644.db2.gz MXPDMLNCPLWSEY-GRYCIOLGSA-N 2 2 270.377 -0.304 20 0 CBADLP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000627183510 356596774 /nfs/dbraw/zinc/59/67/74/356596774.db2.gz LLRMYSKZCMLWRJ-IJLUTSLNSA-N 2 2 270.377 -0.304 20 0 CBADLP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000627183510 356596776 /nfs/dbraw/zinc/59/67/76/356596776.db2.gz LLRMYSKZCMLWRJ-IJLUTSLNSA-N 2 2 270.377 -0.304 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000627184547 356597310 /nfs/dbraw/zinc/59/73/10/356597310.db2.gz ZUANMJGWZWREQL-WCQYABFASA-N 2 2 288.367 -0.340 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000627184547 356597314 /nfs/dbraw/zinc/59/73/14/356597314.db2.gz ZUANMJGWZWREQL-WCQYABFASA-N 2 2 288.367 -0.340 20 0 CBADLP CN(CCCn1cc[nH+]c1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627187203 356598754 /nfs/dbraw/zinc/59/87/54/356598754.db2.gz QQYQIQMAXDCPJS-LBPRGKRZSA-N 2 2 281.360 -0.097 20 0 CBADLP O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)NC[C@@H]1COCC[NH2+]1 ZINC000627190422 356601300 /nfs/dbraw/zinc/60/13/00/356601300.db2.gz KINSFQYWWOEKNL-UPJWGTAASA-N 2 2 298.387 -0.863 20 0 CBADLP O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)NC[C@@H]1COCC[NH2+]1 ZINC000627190422 356601303 /nfs/dbraw/zinc/60/13/03/356601303.db2.gz KINSFQYWWOEKNL-UPJWGTAASA-N 2 2 298.387 -0.863 20 0 CBADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627385612 356635950 /nfs/dbraw/zinc/63/59/50/356635950.db2.gz QJGFLWUQQPSYPJ-GARJFASQSA-N 2 2 279.344 -0.746 20 0 CBADLP CCN(CC[NH3+])C(=O)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000627300277 356622341 /nfs/dbraw/zinc/62/23/41/356622341.db2.gz VDNHWZGQWTXKRY-UHFFFAOYSA-N 2 2 289.339 -0.242 20 0 CBADLP C[C@H]1CC[C@H](NC(=O)C(=O)NCCn2cc[nH+]c2)C[NH2+]1 ZINC000627299789 356622767 /nfs/dbraw/zinc/62/27/67/356622767.db2.gz FGYQPJCRZKLHGI-QWRGUYRKSA-N 2 2 279.344 -0.744 20 0 CBADLP C[C@H]1CC[C@@H](NC(=O)C(=O)NCCCn2cc[nH+]c2)C[NH2+]1 ZINC000627390295 356638190 /nfs/dbraw/zinc/63/81/90/356638190.db2.gz JBGFOAXACZCRCS-NWDGAFQWSA-N 2 2 293.371 -0.354 20 0 CBADLP C[C@@H]1CC[C@H](NC(=O)C(=O)N(C)Cc2[nH+]ccn2C)C[NH2+]1 ZINC000627478623 356654229 /nfs/dbraw/zinc/65/42/29/356654229.db2.gz POHQSPGVVMMCKO-MNOVXSKESA-N 2 2 293.371 -0.365 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000627480101 356654954 /nfs/dbraw/zinc/65/49/54/356654954.db2.gz KVIVEGAFWWZMJD-RYUDHWBXSA-N 2 2 282.388 -0.593 20 0 CBADLP CN1C(=O)N[C@@H]2C[N@@H+](CC(=O)N3CC[NH+](C)CC3)CC[C@@H]21 ZINC000328948304 202124700 /nfs/dbraw/zinc/12/47/00/202124700.db2.gz GZNYSTDHZGZHJT-NEPJUHHUSA-N 2 2 295.387 -0.937 20 0 CBADLP CN1C(=O)N[C@@H]2C[N@H+](CC(=O)N3CC[NH+](C)CC3)CC[C@@H]21 ZINC000328948304 202124702 /nfs/dbraw/zinc/12/47/02/202124702.db2.gz GZNYSTDHZGZHJT-NEPJUHHUSA-N 2 2 295.387 -0.937 20 0 CBADLP C[C@@H](C(=O)NC1CC([NH+]2CCOCC2)C1)[NH+](C)C ZINC000627935308 356680796 /nfs/dbraw/zinc/68/07/96/356680796.db2.gz RCRNPSHYQYODRI-UNXYVOJBSA-N 2 2 255.362 -0.084 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)NC2CC([NH+]3CCOCC3)C2)C1 ZINC000627933887 356681162 /nfs/dbraw/zinc/68/11/62/356681162.db2.gz HTPRRCSYRBNLPZ-JXQTWKCFSA-N 2 2 297.399 -0.314 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)NC2CC([NH+]3CCOCC3)C2)C1 ZINC000627933887 356681167 /nfs/dbraw/zinc/68/11/67/356681167.db2.gz HTPRRCSYRBNLPZ-JXQTWKCFSA-N 2 2 297.399 -0.314 20 0 CBADLP C[C@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)[C@@H]1CCC(=O)N1 ZINC000628061994 356685946 /nfs/dbraw/zinc/68/59/46/356685946.db2.gz UMFHUKOJKCUVGV-STQMWFEESA-N 2 2 298.431 -0.099 20 0 CBADLP C[C@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)[C@@H]1CCC(=O)N1 ZINC000628061994 356685950 /nfs/dbraw/zinc/68/59/50/356685950.db2.gz UMFHUKOJKCUVGV-STQMWFEESA-N 2 2 298.431 -0.099 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628913166 356736860 /nfs/dbraw/zinc/73/68/60/356736860.db2.gz KGKOZNFKKMFTMF-LLVKDONJSA-N 2 2 252.318 -0.362 20 0 CBADLP Cc1[nH+]ccn1CC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628913166 356736861 /nfs/dbraw/zinc/73/68/61/356736861.db2.gz KGKOZNFKKMFTMF-LLVKDONJSA-N 2 2 252.318 -0.362 20 0 CBADLP C[NH+](C)CCn1ccc(C(=O)NC[C@@H]2COCC[N@@H+]2C)n1 ZINC000628913667 356737683 /nfs/dbraw/zinc/73/76/83/356737683.db2.gz URPSAHVNENFGRP-GFCCVEGCSA-N 2 2 295.387 -0.495 20 0 CBADLP C[NH+](C)CCn1ccc(C(=O)NC[C@@H]2COCC[N@H+]2C)n1 ZINC000628913667 356737685 /nfs/dbraw/zinc/73/76/85/356737685.db2.gz URPSAHVNENFGRP-GFCCVEGCSA-N 2 2 295.387 -0.495 20 0 CBADLP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2COCC[NH+]2C)C1 ZINC000628914767 356738426 /nfs/dbraw/zinc/73/84/26/356738426.db2.gz QDKAAFHPIWXLMO-NEPJUHHUSA-N 2 2 255.362 -0.225 20 0 CBADLP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2COCC[NH+]2C)C1 ZINC000628914767 356738428 /nfs/dbraw/zinc/73/84/28/356738428.db2.gz QDKAAFHPIWXLMO-NEPJUHHUSA-N 2 2 255.362 -0.225 20 0 CBADLP C[C@@H]1CC[NH+](CC(=O)NC[C@H]2COCC[N@@H+]2C)C1 ZINC000628914767 356738431 /nfs/dbraw/zinc/73/84/31/356738431.db2.gz QDKAAFHPIWXLMO-NEPJUHHUSA-N 2 2 255.362 -0.225 20 0 CBADLP C[C@@H]1CC[NH+](CC(=O)NC[C@H]2COCC[N@H+]2C)C1 ZINC000628914767 356738433 /nfs/dbraw/zinc/73/84/33/356738433.db2.gz QDKAAFHPIWXLMO-NEPJUHHUSA-N 2 2 255.362 -0.225 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628918023 356740664 /nfs/dbraw/zinc/74/06/64/356740664.db2.gz MVHXOGSGUQDQIW-STQMWFEESA-N 2 2 285.388 -0.599 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000628918023 356740665 /nfs/dbraw/zinc/74/06/65/356740665.db2.gz MVHXOGSGUQDQIW-STQMWFEESA-N 2 2 285.388 -0.599 20 0 CBADLP CC[N@H+](CC(=O)NC[C@H]1COCC[NH+]1C)C1CC1 ZINC000628918357 356740800 /nfs/dbraw/zinc/74/08/00/356740800.db2.gz OJWARLHYUBOABR-LBPRGKRZSA-N 2 2 255.362 -0.083 20 0 CBADLP CC[N@@H+](CC(=O)NC[C@H]1COCC[NH+]1C)C1CC1 ZINC000628918357 356740802 /nfs/dbraw/zinc/74/08/02/356740802.db2.gz OJWARLHYUBOABR-LBPRGKRZSA-N 2 2 255.362 -0.083 20 0 CBADLP CC[NH+](CC(=O)NC[C@H]1COCC[N@@H+]1C)C1CC1 ZINC000628918357 356740804 /nfs/dbraw/zinc/74/08/04/356740804.db2.gz OJWARLHYUBOABR-LBPRGKRZSA-N 2 2 255.362 -0.083 20 0 CBADLP CC[NH+](CC(=O)NC[C@H]1COCC[N@H+]1C)C1CC1 ZINC000628918357 356740806 /nfs/dbraw/zinc/74/08/06/356740806.db2.gz OJWARLHYUBOABR-LBPRGKRZSA-N 2 2 255.362 -0.083 20 0 CBADLP C[C@H](C(=O)NC[C@H]1COCC[N@@H+]1C)N1CC[NH+](C)CC1 ZINC000628919084 356741021 /nfs/dbraw/zinc/74/10/21/356741021.db2.gz RVSQBUXJJIPFJG-OLZOCXBDSA-N 2 2 284.404 -0.931 20 0 CBADLP C[C@H](C(=O)NC[C@H]1COCC[N@H+]1C)N1CC[NH+](C)CC1 ZINC000628919084 356741023 /nfs/dbraw/zinc/74/10/23/356741023.db2.gz RVSQBUXJJIPFJG-OLZOCXBDSA-N 2 2 284.404 -0.931 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2COCC[NH+]2C)C1 ZINC000628919814 356741534 /nfs/dbraw/zinc/74/15/34/356741534.db2.gz WBFPIQOCKSRMFK-VXGBXAGGSA-N 2 2 271.361 -0.846 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2COCC[NH+]2C)C1 ZINC000628919814 356741539 /nfs/dbraw/zinc/74/15/39/356741539.db2.gz WBFPIQOCKSRMFK-VXGBXAGGSA-N 2 2 271.361 -0.846 20 0 CBADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2COCC[N@@H+]2C)C1 ZINC000628919814 356741543 /nfs/dbraw/zinc/74/15/43/356741543.db2.gz WBFPIQOCKSRMFK-VXGBXAGGSA-N 2 2 271.361 -0.846 20 0 CBADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2COCC[N@H+]2C)C1 ZINC000628919814 356741548 /nfs/dbraw/zinc/74/15/48/356741548.db2.gz WBFPIQOCKSRMFK-VXGBXAGGSA-N 2 2 271.361 -0.846 20 0 CBADLP CC[NH+]1CCN(CC(=O)NC[C@@H]2COCC[N@@H+]2C)CC1 ZINC000628919743 356741650 /nfs/dbraw/zinc/74/16/50/356741650.db2.gz VIVKQVFDCLPQPC-CYBMUJFWSA-N 2 2 284.404 -0.929 20 0 CBADLP CC[NH+]1CCN(CC(=O)NC[C@@H]2COCC[N@H+]2C)CC1 ZINC000628919743 356741652 /nfs/dbraw/zinc/74/16/52/356741652.db2.gz VIVKQVFDCLPQPC-CYBMUJFWSA-N 2 2 284.404 -0.929 20 0 CBADLP COc1cncc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)n1 ZINC000629531144 356776889 /nfs/dbraw/zinc/77/68/89/356776889.db2.gz BGAHJQJRGXGJTM-ZDUSSCGKSA-N 2 2 277.372 -0.035 20 0 CBADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@@H]1COCCN1C ZINC000629532917 356776992 /nfs/dbraw/zinc/77/69/92/356776992.db2.gz YFRYNTNQVXWCFY-JHJVBQTASA-N 2 2 257.378 -0.326 20 0 CBADLP [NH3+]CCCOCC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000629539378 356777252 /nfs/dbraw/zinc/77/72/52/356777252.db2.gz QMWFTHGONAGPMW-OLZOCXBDSA-N 3 2 257.378 -0.292 20 0 CBADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CCS(=O)(=O)N(C)C ZINC000629538701 356777568 /nfs/dbraw/zinc/77/75/68/356777568.db2.gz VJMCYSVTNKNLFN-VWYCJHECSA-N 2 2 263.407 -0.146 20 0 CBADLP CN(C)S(=O)(=O)CC[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000629536815 356777768 /nfs/dbraw/zinc/77/77/68/356777768.db2.gz LHFPCIZWXQBYAF-SECBINFHSA-N 2 2 251.396 -0.159 20 0 CBADLP CC(C)NS(=O)(=O)CC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000629558359 356779420 /nfs/dbraw/zinc/77/94/20/356779420.db2.gz GPWDEJOGABRCMJ-GFCCVEGCSA-N 2 2 293.433 -0.640 20 0 CBADLP O=C(NCC[N@H+]1CC[C@@H](O)C1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000629169182 356751700 /nfs/dbraw/zinc/75/17/00/356751700.db2.gz OPGDSHZXWCXNHE-VXGBXAGGSA-N 2 2 278.356 -0.372 20 0 CBADLP O=C(NCC[N@@H+]1CC[C@@H](O)C1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000629169182 356751704 /nfs/dbraw/zinc/75/17/04/356751704.db2.gz OPGDSHZXWCXNHE-VXGBXAGGSA-N 2 2 278.356 -0.372 20 0 CBADLP CC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)C(=O)N1CCOCC1 ZINC000629569606 356780807 /nfs/dbraw/zinc/78/08/07/356780807.db2.gz YBQLCOJENRNFAY-ZIAGYGMSSA-N 2 2 299.415 -0.330 20 0 CBADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)C1C[NH2+]C1 ZINC000629515543 356775661 /nfs/dbraw/zinc/77/56/61/356775661.db2.gz RLYVMLAPHSHLIB-PWSUYJOCSA-N 3 2 254.378 -0.476 20 0 CBADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)C1C[NH2+]C1 ZINC000629515543 356775664 /nfs/dbraw/zinc/77/56/64/356775664.db2.gz RLYVMLAPHSHLIB-PWSUYJOCSA-N 3 2 254.378 -0.476 20 0 CBADLP C[C@@H]([C@@H]1CC[NH2+]C1)[NH+]1CCN(c2nccnn2)CC1 ZINC000629514037 356775700 /nfs/dbraw/zinc/77/57/00/356775700.db2.gz OXMTVLMMPGZZNE-NWDGAFQWSA-N 2 2 262.361 -0.008 20 0 CBADLP C[N@H+](C[C@@H](O)C[NH2+]CCN1CC[C@H](O)C1)C1CC1 ZINC000629618013 356787972 /nfs/dbraw/zinc/78/79/72/356787972.db2.gz RWEAJSWVRXJDID-STQMWFEESA-N 2 2 257.378 -0.902 20 0 CBADLP C[N@@H+](C[C@@H](O)C[NH2+]CCN1CC[C@H](O)C1)C1CC1 ZINC000629618013 356787975 /nfs/dbraw/zinc/78/79/75/356787975.db2.gz RWEAJSWVRXJDID-STQMWFEESA-N 2 2 257.378 -0.902 20 0 CBADLP C[NH+]1CCN(C(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC1 ZINC000629823295 356800025 /nfs/dbraw/zinc/80/00/25/356800025.db2.gz ZGRUVRKWCFFSDK-GASCZTMLSA-N 2 2 294.399 -0.782 20 0 CBADLP O=C(NCC[N@H+]1CC[C@H](O)C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000629917088 356808344 /nfs/dbraw/zinc/80/83/44/356808344.db2.gz LAVCEKVZLGUQQN-YPMHNXCESA-N 2 2 278.356 -0.372 20 0 CBADLP O=C(NCC[N@@H+]1CC[C@H](O)C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000629917088 356808345 /nfs/dbraw/zinc/80/83/45/356808345.db2.gz LAVCEKVZLGUQQN-YPMHNXCESA-N 2 2 278.356 -0.372 20 0 CBADLP C[C@@H](O)C[NH+]1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC000629958299 356812456 /nfs/dbraw/zinc/81/24/56/356812456.db2.gz LHJLECOEZPYGJK-GFCCVEGCSA-N 2 2 269.389 -0.004 20 0 CBADLP C[N@H+](CC(=O)N(CCO)CC[NH+]1CCOCC1)C1CCC1 ZINC000629974557 356813254 /nfs/dbraw/zinc/81/32/54/356813254.db2.gz ITSZUAJLOXIFSV-UHFFFAOYSA-N 2 2 299.415 -0.376 20 0 CBADLP C[N@@H+](CC(=O)N(CCO)CC[NH+]1CCOCC1)C1CCC1 ZINC000629974557 356813257 /nfs/dbraw/zinc/81/32/57/356813257.db2.gz ITSZUAJLOXIFSV-UHFFFAOYSA-N 2 2 299.415 -0.376 20 0 CBADLP C[N@H+](CC(=O)NC[C@@H]1COCC[NH+]1C)C1CCC1 ZINC000630023916 356818982 /nfs/dbraw/zinc/81/89/82/356818982.db2.gz ZPBNTHKEUCGKRZ-GFCCVEGCSA-N 2 2 255.362 -0.083 20 0 CBADLP C[N@@H+](CC(=O)NC[C@@H]1COCC[NH+]1C)C1CCC1 ZINC000630023916 356818987 /nfs/dbraw/zinc/81/89/87/356818987.db2.gz ZPBNTHKEUCGKRZ-GFCCVEGCSA-N 2 2 255.362 -0.083 20 0 CBADLP C[NH+](CC(=O)NC[C@@H]1COCC[N@@H+]1C)C1CCC1 ZINC000630023916 356818992 /nfs/dbraw/zinc/81/89/92/356818992.db2.gz ZPBNTHKEUCGKRZ-GFCCVEGCSA-N 2 2 255.362 -0.083 20 0 CBADLP C[NH+](CC(=O)NC[C@@H]1COCC[N@H+]1C)C1CCC1 ZINC000630023916 356818994 /nfs/dbraw/zinc/81/89/94/356818994.db2.gz ZPBNTHKEUCGKRZ-GFCCVEGCSA-N 2 2 255.362 -0.083 20 0 CBADLP O[C@H](CNCC[N@@H+]1CCCOCC1)C[NH+]1CCCC1 ZINC000629576496 356781766 /nfs/dbraw/zinc/78/17/66/356781766.db2.gz MTJSWINHRROUAJ-CQSZACIVSA-N 2 2 271.405 -0.245 20 0 CBADLP O[C@H](CNCC[N@H+]1CCCOCC1)C[NH+]1CCCC1 ZINC000629576496 356781769 /nfs/dbraw/zinc/78/17/69/356781769.db2.gz MTJSWINHRROUAJ-CQSZACIVSA-N 2 2 271.405 -0.245 20 0 CBADLP O[C@H](C[NH2+]CCN1CCCOCC1)C[NH+]1CCCC1 ZINC000629576496 356781772 /nfs/dbraw/zinc/78/17/72/356781772.db2.gz MTJSWINHRROUAJ-CQSZACIVSA-N 2 2 271.405 -0.245 20 0 CBADLP CCN1CC[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)C1=O ZINC000629581394 356783052 /nfs/dbraw/zinc/78/30/52/356783052.db2.gz YYYFCURZOYTNTI-VXGBXAGGSA-N 2 2 255.362 -0.347 20 0 CBADLP Cn1nccc1[C@@H](CO)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000629584252 356783599 /nfs/dbraw/zinc/78/35/99/356783599.db2.gz NAPNRFPCSCUJSK-VXGBXAGGSA-N 2 2 268.361 -0.500 20 0 CBADLP CS(=O)(=O)NC[C@H]1COCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000629586057 356784177 /nfs/dbraw/zinc/78/41/77/356784177.db2.gz JQVXYEZXFXXNLA-RYUDHWBXSA-N 2 2 291.417 -0.764 20 0 CBADLP CS(=O)(=O)NC[C@H]1COCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000629586057 356784180 /nfs/dbraw/zinc/78/41/80/356784180.db2.gz JQVXYEZXFXXNLA-RYUDHWBXSA-N 2 2 291.417 -0.764 20 0 CBADLP C[N@H+](C[C@H](O)C[NH2+]CCC[NH+]1CCC[C@H]1C(N)=O)C1CC1 ZINC000629601247 356784812 /nfs/dbraw/zinc/78/48/12/356784812.db2.gz BESVRHGZYDEKEN-KGLIPLIRSA-N 3 2 298.431 -0.629 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH2+]CCC[NH+]1CCC[C@H]1C(N)=O)C1CC1 ZINC000629601247 356784815 /nfs/dbraw/zinc/78/48/15/356784815.db2.gz BESVRHGZYDEKEN-KGLIPLIRSA-N 3 2 298.431 -0.629 20 0 CBADLP C[NH+](C[C@H](O)C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)C1CC1 ZINC000629601247 356784816 /nfs/dbraw/zinc/78/48/16/356784816.db2.gz BESVRHGZYDEKEN-KGLIPLIRSA-N 3 2 298.431 -0.629 20 0 CBADLP C[NH+](C[C@H](O)C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)C1CC1 ZINC000629601247 356784820 /nfs/dbraw/zinc/78/48/20/356784820.db2.gz BESVRHGZYDEKEN-KGLIPLIRSA-N 3 2 298.431 -0.629 20 0 CBADLP CCn1nncc1C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000629595913 356785134 /nfs/dbraw/zinc/78/51/34/356785134.db2.gz TUPWJTGTTOZIPV-LBPRGKRZSA-N 2 2 253.350 -0.157 20 0 CBADLP CCn1nncc1C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000629595913 356785135 /nfs/dbraw/zinc/78/51/35/356785135.db2.gz TUPWJTGTTOZIPV-LBPRGKRZSA-N 2 2 253.350 -0.157 20 0 CBADLP CC(C)OC[C@@H](O)C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000629605578 356785937 /nfs/dbraw/zinc/78/59/37/356785937.db2.gz KGHGPYCHEUAWGZ-STQMWFEESA-N 2 2 287.404 -0.298 20 0 CBADLP CC(C)OC[C@@H](O)C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000629605578 356785940 /nfs/dbraw/zinc/78/59/40/356785940.db2.gz KGHGPYCHEUAWGZ-STQMWFEESA-N 2 2 287.404 -0.298 20 0 CBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1[NH2+]CC1(C)C ZINC000629606500 356786394 /nfs/dbraw/zinc/78/63/94/356786394.db2.gz HVOXTLAAJUAPCY-RYUDHWBXSA-N 2 2 285.388 -0.864 20 0 CBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C[C@@H]1CCC[NH2+]1 ZINC000629607554 356786738 /nfs/dbraw/zinc/78/67/38/356786738.db2.gz WFTMUBPAEFGNEL-STQMWFEESA-N 2 2 285.388 -0.720 20 0 CBADLP C[C@H]1C[C@@H](C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)CC[NH2+]1 ZINC000629608623 356786761 /nfs/dbraw/zinc/78/67/61/356786761.db2.gz ZAWOTHSZJCNNIQ-MELADBBJSA-N 2 2 299.415 -0.474 20 0 CBADLP C[NH+]1CCN(c2ncc(C[NH2+][C@@H]3COC[C@@H]3O)cn2)CC1 ZINC000631200935 356877216 /nfs/dbraw/zinc/87/72/16/356877216.db2.gz KZQNNZXFBVLERV-OLZOCXBDSA-N 2 2 293.371 -0.922 20 0 CBADLP c1c(C[NH+]2CCSCC2)nnn1C[C@@H]1C[NH2+]CCO1 ZINC000630617260 356856305 /nfs/dbraw/zinc/85/63/05/356856305.db2.gz RJWFPCCEOHFONW-LBPRGKRZSA-N 2 2 283.401 -0.185 20 0 CBADLP c1c(C[NH+]2CCSCC2)nnn1C[C@H]1C[NH2+]CCO1 ZINC000630617254 356856353 /nfs/dbraw/zinc/85/63/53/356856353.db2.gz RJWFPCCEOHFONW-GFCCVEGCSA-N 2 2 283.401 -0.185 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)N2CC[NH+](CCO)CC2)CC[N@@H+]1C ZINC000630708835 356858082 /nfs/dbraw/zinc/85/80/82/356858082.db2.gz GJCKASIOEGJSCE-QWHCGFSZSA-N 2 2 269.389 -0.147 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)N2CC[NH+](CCO)CC2)CC[N@H+]1C ZINC000630708835 356858085 /nfs/dbraw/zinc/85/80/85/356858085.db2.gz GJCKASIOEGJSCE-QWHCGFSZSA-N 2 2 269.389 -0.147 20 0 CBADLP C[NH+](C)C1(CS(=O)(=O)N[C@@H]2CC[N@H+](C)C2)CC1 ZINC000631785299 356906985 /nfs/dbraw/zinc/90/69/85/356906985.db2.gz FTKIRQSJJBFSDP-SNVBAGLBSA-N 2 2 261.391 -0.296 20 0 CBADLP [NH3+][C@@H]1CCCCC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC000631832410 356909535 /nfs/dbraw/zinc/90/95/35/356909535.db2.gz FMZFRJVLBIXOCL-SNVBAGLBSA-N 2 2 254.334 -0.259 20 0 CBADLP [NH3+][C@@H]1CCCCC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC000631832410 356909540 /nfs/dbraw/zinc/90/95/40/356909540.db2.gz FMZFRJVLBIXOCL-SNVBAGLBSA-N 2 2 254.334 -0.259 20 0 CBADLP C[C@H](NC(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1)C(=O)N(C)C ZINC000631840395 356910782 /nfs/dbraw/zinc/91/07/82/356910782.db2.gz BWKUVFZMCFMXSF-OUAUKWLOSA-N 2 2 270.377 -0.894 20 0 CBADLP C[C@H](NC(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1)C(=O)N(C)C ZINC000631840395 356910783 /nfs/dbraw/zinc/91/07/83/356910783.db2.gz BWKUVFZMCFMXSF-OUAUKWLOSA-N 2 2 270.377 -0.894 20 0 CBADLP C[NH+]1CCN(C(=O)CC[NH+]2CCC([NH2+]CCO)CC2)CC1 ZINC000631863371 356913848 /nfs/dbraw/zinc/91/38/48/356913848.db2.gz VOCBPORUHOKLIM-UHFFFAOYSA-N 3 2 298.431 -0.803 20 0 CBADLP CCS(=O)(=O)NCC[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000631867783 356914569 /nfs/dbraw/zinc/91/45/69/356914569.db2.gz JJQJLPRYGYRBRF-MNOVXSKESA-N 2 2 261.391 -0.343 20 0 CBADLP O=C1CNC(=O)N1CC[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000631868704 356914607 /nfs/dbraw/zinc/91/46/07/356914607.db2.gz NMXKGMMZJRQVOO-SKDRFNHKSA-N 2 2 252.318 -0.730 20 0 CBADLP C[NH+]1CCN(C(=O)CC[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)CC1 ZINC000631867498 356914640 /nfs/dbraw/zinc/91/46/40/356914640.db2.gz WEFRJEWRVFLJTC-HIFRSBDPSA-N 3 2 280.416 -0.118 20 0 CBADLP O=C1CCC(=O)N1CC[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000631868718 356914761 /nfs/dbraw/zinc/91/47/61/356914761.db2.gz NWMAQVJRBCQSRM-MFKMUULPSA-N 2 2 251.330 -0.133 20 0 CBADLP C[N@H+](CCC(=O)N1CC[NH2+]CC1)Cc1ncc[nH]1 ZINC000631879375 356915182 /nfs/dbraw/zinc/91/51/82/356915182.db2.gz VFLVJZMRHRBLLR-UHFFFAOYSA-N 2 2 251.334 -0.337 20 0 CBADLP C[N@@H+](CCC(=O)N1CC[NH2+]CC1)Cc1ncc[nH]1 ZINC000631879375 356915185 /nfs/dbraw/zinc/91/51/85/356915185.db2.gz VFLVJZMRHRBLLR-UHFFFAOYSA-N 2 2 251.334 -0.337 20 0 CBADLP CN(CC[NH+](C)C)C(=O)C1([NH+]2CCOCC2)CC1 ZINC000631601047 356896156 /nfs/dbraw/zinc/89/61/56/356896156.db2.gz VLCSUNBCLSWGCF-UHFFFAOYSA-N 2 2 255.362 -0.129 20 0 CBADLP C[N@@H+]1CCO[C@@H](CS(=O)(=O)NCCn2cc[nH+]c2)C1 ZINC000631663219 356899314 /nfs/dbraw/zinc/89/93/14/356899314.db2.gz HOUOVINSXLSRJH-LLVKDONJSA-N 2 2 288.373 -0.867 20 0 CBADLP C[N@H+]1CCO[C@@H](CS(=O)(=O)NCCn2cc[nH+]c2)C1 ZINC000631663219 356899315 /nfs/dbraw/zinc/89/93/15/356899315.db2.gz HOUOVINSXLSRJH-LLVKDONJSA-N 2 2 288.373 -0.867 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N(C)Cc2[nH]cc[nH+]2)CC1 ZINC000632343436 356974774 /nfs/dbraw/zinc/97/47/74/356974774.db2.gz OUNLGCGNXKACON-UHFFFAOYSA-N 2 2 279.344 -0.468 20 0 CBADLP C[N@@H+]1CC[C@@H](CNS(=O)(=O)C[C@@H]2C[NH+](C)CCO2)C1 ZINC000632431279 356988713 /nfs/dbraw/zinc/98/87/13/356988713.db2.gz ZEQWQNHCFDQYEX-RYUDHWBXSA-N 2 2 291.417 -0.812 20 0 CBADLP C[N@H+]1CC[C@@H](CNS(=O)(=O)C[C@@H]2C[NH+](C)CCO2)C1 ZINC000632431279 356988715 /nfs/dbraw/zinc/98/87/15/356988715.db2.gz ZEQWQNHCFDQYEX-RYUDHWBXSA-N 2 2 291.417 -0.812 20 0 CBADLP C[NH+]1CC[C@@H](CNS(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)C1 ZINC000632431279 356988718 /nfs/dbraw/zinc/98/87/18/356988718.db2.gz ZEQWQNHCFDQYEX-RYUDHWBXSA-N 2 2 291.417 -0.812 20 0 CBADLP C[NH+]1CC[C@@H](CNS(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000632431279 356988720 /nfs/dbraw/zinc/98/87/20/356988720.db2.gz ZEQWQNHCFDQYEX-RYUDHWBXSA-N 2 2 291.417 -0.812 20 0 CBADLP Cn1c[nH+]c(CCNS(=O)(=O)CCC[NH+](C)C)c1 ZINC000632438555 356989390 /nfs/dbraw/zinc/98/93/90/356989390.db2.gz LKNFCYNSPXYTNW-UHFFFAOYSA-N 2 2 274.390 -0.166 20 0 CBADLP C[NH+](C)C1(CS(=O)(=O)NCc2[nH]cc[nH+]2)CC1 ZINC000632144110 356954897 /nfs/dbraw/zinc/95/48/97/356954897.db2.gz OPAWYIVEAQLOJJ-UHFFFAOYSA-N 2 2 258.347 -0.077 20 0 CBADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000633104321 357045895 /nfs/dbraw/zinc/04/58/95/357045895.db2.gz AEIZOTREFSIAGD-WDEREUQCSA-N 2 2 291.355 -0.422 20 0 CBADLP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000633104114 357046181 /nfs/dbraw/zinc/04/61/81/357046181.db2.gz BYVKQJBVAAPNTQ-NSHDSACASA-N 2 2 293.371 -0.031 20 0 CBADLP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000633103289 357046391 /nfs/dbraw/zinc/04/63/91/357046391.db2.gz PVHYHSWCKZSWJT-VIFPVBQESA-N 2 2 265.317 -0.812 20 0 CBADLP C[C@@H]1CN(C(=O)C(=O)N(C)Cc2[nH]cc[nH+]2)CC[NH2+]1 ZINC000633106864 357046765 /nfs/dbraw/zinc/04/67/65/357046765.db2.gz XPNGBLAGVQZQHK-SECBINFHSA-N 2 2 265.317 -0.812 20 0 CBADLP O=C(C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCn2c[nH+]cc2C1 ZINC000633113096 357047794 /nfs/dbraw/zinc/04/77/94/357047794.db2.gz CGXGITXKEAUSJO-PHIMTYICSA-N 2 2 289.339 -0.812 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2C[C@H]([NH3+])C[C@H]2C)CC1 ZINC000633116148 357049521 /nfs/dbraw/zinc/04/95/21/357049521.db2.gz PNOVWNVXZIHWNS-GHMZBOCLSA-N 2 2 268.361 -0.901 20 0 CBADLP C[N@@H+]1CCN(C(=O)NC[C@H]2CCCC[NH2+]2)[C@@H](C[NH3+])C1 ZINC000634272318 357113975 /nfs/dbraw/zinc/11/39/75/357113975.db2.gz ZWBFMWPLPQGJHQ-NEPJUHHUSA-N 3 2 269.393 -0.587 20 0 CBADLP C[N@H+]1CCN(C(=O)NC[C@H]2CCCC[NH2+]2)[C@@H](C[NH3+])C1 ZINC000634272318 357113979 /nfs/dbraw/zinc/11/39/79/357113979.db2.gz ZWBFMWPLPQGJHQ-NEPJUHHUSA-N 3 2 269.393 -0.587 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)N(C)C[C@@H]2C[NH+](C)CCO2)C1 ZINC000633922829 357096544 /nfs/dbraw/zinc/09/65/44/357096544.db2.gz FDLYPENLQVOIFA-STQMWFEESA-N 2 2 285.388 -0.504 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)N(C)C[C@@H]2C[NH+](C)CCO2)C1 ZINC000633922829 357096547 /nfs/dbraw/zinc/09/65/47/357096547.db2.gz FDLYPENLQVOIFA-STQMWFEESA-N 2 2 285.388 -0.504 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)N(C)C[C@@H]2C[N@H+](C)CCO2)C1 ZINC000633922829 357096551 /nfs/dbraw/zinc/09/65/51/357096551.db2.gz FDLYPENLQVOIFA-STQMWFEESA-N 2 2 285.388 -0.504 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)N(C)C[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000633922829 357096554 /nfs/dbraw/zinc/09/65/54/357096554.db2.gz FDLYPENLQVOIFA-STQMWFEESA-N 2 2 285.388 -0.504 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCOCC(F)(F)C1 ZINC000634739827 357131956 /nfs/dbraw/zinc/13/19/56/357131956.db2.gz GQUBLJFSJLYCTB-SECBINFHSA-N 2 2 265.304 -0.241 20 0 CBADLP C[C@@H](C(=O)N[C@]12CCC[C@@H]1C[NH2+]C2)N1CC[NH2+]CC1=O ZINC000634769973 357135169 /nfs/dbraw/zinc/13/51/69/357135169.db2.gz VFAWHQRJMNOJEV-WDMOLILDSA-N 2 2 280.372 -0.935 20 0 CBADLP O=C(C[NH+]1CCN(CC23CC(C2)C[NH2+]3)CC1)N1CCCC1 ZINC000634991371 357141725 /nfs/dbraw/zinc/14/17/25/357141725.db2.gz BMDQVNHMXNYPGX-UHFFFAOYSA-N 2 2 292.427 -0.022 20 0 CBADLP C[C@H](C(=O)NCCC[NH+]1CCN(C)CC1)[NH+](C)C ZINC000635128898 357147830 /nfs/dbraw/zinc/14/78/30/357147830.db2.gz JZCVIDWLNVACOP-GFCCVEGCSA-N 2 2 256.394 -0.310 20 0 CBADLP CCOCC[NH+]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000635546970 357174474 /nfs/dbraw/zinc/17/44/74/357174474.db2.gz XGGUORQWBIASBZ-ZIAGYGMSSA-N 2 2 299.415 -0.114 20 0 CBADLP CCOCC[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000635546970 357174477 /nfs/dbraw/zinc/17/44/77/357174477.db2.gz XGGUORQWBIASBZ-ZIAGYGMSSA-N 2 2 299.415 -0.114 20 0 CBADLP CN1CC[N@H+](C)[C@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC000635546997 357174097 /nfs/dbraw/zinc/17/40/97/357174097.db2.gz DNXRJGNFIWJFIL-QWHCGFSZSA-N 2 2 268.405 -0.310 20 0 CBADLP CN1CC[N@@H+](C)[C@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC000635546997 357174102 /nfs/dbraw/zinc/17/41/02/357174102.db2.gz DNXRJGNFIWJFIL-QWHCGFSZSA-N 2 2 268.405 -0.310 20 0 CBADLP CN1CC[NH+](C)[C@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000635546997 357174105 /nfs/dbraw/zinc/17/41/05/357174105.db2.gz DNXRJGNFIWJFIL-QWHCGFSZSA-N 2 2 268.405 -0.310 20 0 CBADLP CN1CC[NH+](C)[C@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000635546997 357174109 /nfs/dbraw/zinc/17/41/09/357174109.db2.gz DNXRJGNFIWJFIL-QWHCGFSZSA-N 2 2 268.405 -0.310 20 0 CBADLP Cn1nccc1CC[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000634688424 357127161 /nfs/dbraw/zinc/12/71/61/357127161.db2.gz RWPJHTFNLFIGBC-AWEZNQCLSA-N 2 2 291.399 -0.141 20 0 CBADLP Cn1nccc1CC[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000634688424 357127165 /nfs/dbraw/zinc/12/71/65/357127165.db2.gz RWPJHTFNLFIGBC-AWEZNQCLSA-N 2 2 291.399 -0.141 20 0 CBADLP O[C@H](C[NH2+]C1CN(c2ccncn2)C1)C[NH+]1CCCC1 ZINC000634728608 357129833 /nfs/dbraw/zinc/12/98/33/357129833.db2.gz ITQBKKXLBYLTFQ-CYBMUJFWSA-N 2 2 277.372 -0.289 20 0 CBADLP O[C@@H]1COC[C@H]1[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634722259 357129939 /nfs/dbraw/zinc/12/99/39/357129939.db2.gz MHLQHVKIKZVARZ-BZUAXINKSA-N 2 2 292.379 -0.027 20 0 CBADLP O[C@@H]1COC[C@H]1[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634722259 357129941 /nfs/dbraw/zinc/12/99/41/357129941.db2.gz MHLQHVKIKZVARZ-BZUAXINKSA-N 2 2 292.379 -0.027 20 0 CBADLP C[N@@H+]1CC[C@@H](CC(=O)N[C@H](CO)C[NH+]2CCOCC2)C1 ZINC000635893149 357225908 /nfs/dbraw/zinc/22/59/08/357225908.db2.gz LHTSOYRZBHRQFN-STQMWFEESA-N 2 2 285.388 -0.863 20 0 CBADLP C[N@H+]1CC[C@@H](CC(=O)N[C@H](CO)C[NH+]2CCOCC2)C1 ZINC000635893149 357225910 /nfs/dbraw/zinc/22/59/10/357225910.db2.gz LHTSOYRZBHRQFN-STQMWFEESA-N 2 2 285.388 -0.863 20 0 CBADLP COCC[N@@H+]1CC[C@H](NC(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000636820676 357304989 /nfs/dbraw/zinc/30/49/89/357304989.db2.gz YINHGXORACYSRS-RYUDHWBXSA-N 2 2 293.371 -0.172 20 0 CBADLP COCC[N@H+]1CC[C@H](NC(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000636820676 357304994 /nfs/dbraw/zinc/30/49/94/357304994.db2.gz YINHGXORACYSRS-RYUDHWBXSA-N 2 2 293.371 -0.172 20 0 CBADLP COCC[N@@H+]1CC[C@@H](NC(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000636820674 357305306 /nfs/dbraw/zinc/30/53/06/357305306.db2.gz YINHGXORACYSRS-NEPJUHHUSA-N 2 2 293.371 -0.172 20 0 CBADLP COCC[N@H+]1CC[C@@H](NC(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000636820674 357305308 /nfs/dbraw/zinc/30/53/08/357305308.db2.gz YINHGXORACYSRS-NEPJUHHUSA-N 2 2 293.371 -0.172 20 0 CBADLP C[C@H](C(=O)N1C[C@@H](C)[N@H+](CCO)C[C@@H]1C)[NH+](C)C ZINC000636035982 357256031 /nfs/dbraw/zinc/25/60/31/357256031.db2.gz WLMLKSDHZMAMKA-GRYCIOLGSA-N 2 2 257.378 -0.150 20 0 CBADLP C[C@H](C(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C)[NH+](C)C ZINC000636035982 357256036 /nfs/dbraw/zinc/25/60/36/357256036.db2.gz WLMLKSDHZMAMKA-GRYCIOLGSA-N 2 2 257.378 -0.150 20 0 CBADLP CN1CC[C@](C)(C(=O)NCC[N@H+](C)CCC[NH+](C)C)C1=O ZINC000636171397 357268251 /nfs/dbraw/zinc/26/82/51/357268251.db2.gz KEGNLTCSDHPKEG-OAHLLOKOSA-N 2 2 298.431 -0.146 20 0 CBADLP CN1CC[C@](C)(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)C1=O ZINC000636171397 357268254 /nfs/dbraw/zinc/26/82/54/357268254.db2.gz KEGNLTCSDHPKEG-OAHLLOKOSA-N 2 2 298.431 -0.146 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1C[C@@H](O)C1 ZINC000636172365 357269270 /nfs/dbraw/zinc/26/92/70/357269270.db2.gz XIWROYYNSVJSGK-TXEJJXNPSA-N 2 2 257.378 -0.243 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1C[C@@H](O)C1 ZINC000636172365 357269272 /nfs/dbraw/zinc/26/92/72/357269272.db2.gz XIWROYYNSVJSGK-TXEJJXNPSA-N 2 2 257.378 -0.243 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000636279495 357276620 /nfs/dbraw/zinc/27/66/20/357276620.db2.gz RYFSTXMVCYIPFG-ZDUSSCGKSA-N 2 2 299.415 -0.208 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000636279495 357276622 /nfs/dbraw/zinc/27/66/22/357276622.db2.gz RYFSTXMVCYIPFG-ZDUSSCGKSA-N 2 2 299.415 -0.208 20 0 CBADLP CCn1cc(CC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cn1 ZINC000637863694 357378089 /nfs/dbraw/zinc/37/80/89/357378089.db2.gz GWEPIEYAIFFYLT-LBPRGKRZSA-N 2 2 265.361 -0.453 20 0 CBADLP CCn1cc(CC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cn1 ZINC000637863694 357378091 /nfs/dbraw/zinc/37/80/91/357378091.db2.gz GWEPIEYAIFFYLT-LBPRGKRZSA-N 2 2 265.361 -0.453 20 0 CBADLP C[C@@H](C(=O)NC[C@H]([NH3+])c1ccccc1)N1CC[NH2+]CC1=O ZINC000637832494 357372833 /nfs/dbraw/zinc/37/28/33/357372833.db2.gz KJTFLIAHHGLULC-AAEUAGOBSA-N 2 2 290.367 -0.377 20 0 CBADLP CC[NH2+]CC1CCN(C(=O)[C@@H](C)N2CC[NH2+]CC2=O)CC1 ZINC000637862507 357378319 /nfs/dbraw/zinc/37/83/19/357378319.db2.gz SLOLBEXUQYLCIK-GFCCVEGCSA-N 2 2 296.415 -0.345 20 0 CBADLP COc1cc[nH+]cc1CNC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000637168575 357327885 /nfs/dbraw/zinc/32/78/85/357327885.db2.gz PBVQCOVJAUVRBH-GFCCVEGCSA-N 2 2 294.355 -0.044 20 0 CBADLP COc1cc[nH+]cc1CNC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000637168575 357327887 /nfs/dbraw/zinc/32/78/87/357327887.db2.gz PBVQCOVJAUVRBH-GFCCVEGCSA-N 2 2 294.355 -0.044 20 0 CBADLP C[C@H](NC(=O)NCC[N@@H+]1CC[C@@H](O)C1)c1[nH+]ccn1C ZINC000637290079 357337323 /nfs/dbraw/zinc/33/73/23/357337323.db2.gz PCFJWUZVKGGIOS-WDEREUQCSA-N 2 2 281.360 -0.153 20 0 CBADLP C[C@H](NC(=O)NCC[N@H+]1CC[C@@H](O)C1)c1[nH+]ccn1C ZINC000637290079 357337329 /nfs/dbraw/zinc/33/73/29/357337329.db2.gz PCFJWUZVKGGIOS-WDEREUQCSA-N 2 2 281.360 -0.153 20 0 CBADLP C[C@H](C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1)N1CC[NH2+]CC1=O ZINC000637845188 357376044 /nfs/dbraw/zinc/37/60/44/357376044.db2.gz OHFNBUGBJKRMJP-GMTAPVOTSA-N 2 2 268.361 -0.998 20 0 CBADLP C[C@@H](C(=O)N[C@@H](C[NH3+])C1CCCCC1)N1CC[NH2+]CC1=O ZINC000637844404 357376079 /nfs/dbraw/zinc/37/60/79/357376079.db2.gz NJSPCLAJGXVYMO-AAEUAGOBSA-N 2 2 296.415 -0.170 20 0 CBADLP CC(C)C[C@](C)(C[NH3+])NC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000637847797 357376231 /nfs/dbraw/zinc/37/62/31/357376231.db2.gz DHYUKQQSFGDHFZ-BXUZGUMPSA-N 2 2 284.404 -0.314 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@H]1C[C@H](C(N)=O)C1 ZINC000637402137 357344036 /nfs/dbraw/zinc/34/40/36/357344036.db2.gz RTUVHPBOQDKIAO-HAQNSBGRSA-N 2 2 299.419 -0.567 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@H]1C[C@H](C(N)=O)C1 ZINC000637402137 357344038 /nfs/dbraw/zinc/34/40/38/357344038.db2.gz RTUVHPBOQDKIAO-HAQNSBGRSA-N 2 2 299.419 -0.567 20 0 CBADLP C[C@@H](C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1)N1CC[NH2+]CC1=O ZINC000637845190 357376429 /nfs/dbraw/zinc/37/64/29/357376429.db2.gz OHFNBUGBJKRMJP-OUAUKWLOSA-N 2 2 268.361 -0.998 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CC[NH+](C2CC2)CC1 ZINC000637449231 357353878 /nfs/dbraw/zinc/35/38/78/357353878.db2.gz YZNCMQOSCKNDTF-ZDUSSCGKSA-N 2 2 282.388 -0.193 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N1CC[NH+](C2CC2)CC1 ZINC000637449231 357353881 /nfs/dbraw/zinc/35/38/81/357353881.db2.gz YZNCMQOSCKNDTF-ZDUSSCGKSA-N 2 2 282.388 -0.193 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000637863892 357378462 /nfs/dbraw/zinc/37/84/62/357378462.db2.gz JKGOSBQAMUGITC-JTQLQIEISA-N 2 2 251.334 -0.638 20 0 CBADLP C[C@H](C(=O)N1CCCC[C@@H]1CC[NH3+])N1CC[NH2+]CC1=O ZINC000638234762 357440889 /nfs/dbraw/zinc/44/08/89/357440889.db2.gz PEOXMVBWLMEBBN-VXGBXAGGSA-N 2 2 282.388 -0.463 20 0 CBADLP C[C@@H](C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)N1CC[NH2+]CC1=O ZINC000638236447 357440943 /nfs/dbraw/zinc/44/09/43/357440943.db2.gz YFBXFHMDRHYGLN-WFASDCNBSA-N 2 2 294.399 -0.591 20 0 CBADLP Nc1nc(N)c(CN2CC[N@@H+]3CCCC[C@@H]3C2)c[nH+]1 ZINC000637982801 357394590 /nfs/dbraw/zinc/39/45/90/357394590.db2.gz XPIGRBHNXPTOAN-LLVKDONJSA-N 2 2 262.361 -0.028 20 0 CBADLP Nc1nc(N)c(CN2CC[N@H+]3CCCC[C@@H]3C2)c[nH+]1 ZINC000637982801 357394596 /nfs/dbraw/zinc/39/45/96/357394596.db2.gz XPIGRBHNXPTOAN-LLVKDONJSA-N 2 2 262.361 -0.028 20 0 CBADLP CC[NH+](CC)CCNC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638045957 357405392 /nfs/dbraw/zinc/40/53/92/357405392.db2.gz CNOWIRNRUWMXPS-LLVKDONJSA-N 2 2 270.377 -0.735 20 0 CBADLP COCC[N@@H+]1CCN(Cc2c[nH+]c(N)nc2N)C[C@@H]1C ZINC000638045421 357405408 /nfs/dbraw/zinc/40/54/08/357405408.db2.gz YFVVEERJFUBJSS-JTQLQIEISA-N 2 2 280.376 -0.546 20 0 CBADLP COCC[N@H+]1CCN(Cc2c[nH+]c(N)nc2N)C[C@@H]1C ZINC000638045421 357405410 /nfs/dbraw/zinc/40/54/10/357405410.db2.gz YFVVEERJFUBJSS-JTQLQIEISA-N 2 2 280.376 -0.546 20 0 CBADLP C[C@H](CCCC[NH3+])NC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638242704 357442025 /nfs/dbraw/zinc/44/20/25/357442025.db2.gz HFNBWZAQZDDNTQ-GHMZBOCLSA-N 2 2 270.377 -0.560 20 0 CBADLP CO[C@H]1C[NH2+][C@](C)(C(=O)NCCn2cc[nH+]c2)C1 ZINC000638051654 357406459 /nfs/dbraw/zinc/40/64/59/357406459.db2.gz NSMWAXKPEZUUOU-PWSUYJOCSA-N 2 2 252.318 -0.234 20 0 CBADLP CC(C)(CNC(=O)[C@@H]1OCC[C@@H]1[NH3+])[NH+]1CCOCC1 ZINC000638049771 357406672 /nfs/dbraw/zinc/40/66/72/357406672.db2.gz NIRDSNABDMTPRB-WDEREUQCSA-N 2 2 271.361 -0.670 20 0 CBADLP CCOCC[NH+]1CCN(C(=O)[C@@H]2OCC[C@@H]2[NH3+])CC1 ZINC000638060655 357407926 /nfs/dbraw/zinc/40/79/26/357407926.db2.gz ZRCMOCIAQARYNR-NWDGAFQWSA-N 2 2 271.361 -0.717 20 0 CBADLP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000638068215 357408860 /nfs/dbraw/zinc/40/88/60/357408860.db2.gz BUBUQHIHSDXCMV-SGMGOOAPSA-N 2 2 285.388 -0.410 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638070206 357409378 /nfs/dbraw/zinc/40/93/78/357409378.db2.gz PCJJSMVPHPBHFO-OCCSQVGLSA-N 2 2 285.388 -0.421 20 0 CBADLP COC[C@@]1(C(=O)N[C@H](C)C[NH+]2CCOCC2)CCCC[NH2+]1 ZINC000638070386 357409675 /nfs/dbraw/zinc/40/96/75/357409675.db2.gz QSAMMPBAVGQENW-UKRRQHHQSA-N 2 2 299.415 -0.018 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638069774 357409950 /nfs/dbraw/zinc/40/99/50/357409950.db2.gz MNIISGCXMKZGNX-WCQYABFASA-N 2 2 271.361 -0.798 20 0 CBADLP CC[NH2+][C@@H](C)C(=O)NCC[NH+]1CCN(C(C)=O)CC1 ZINC000638070613 357409961 /nfs/dbraw/zinc/40/99/61/357409961.db2.gz SLHISCURVOUOHQ-NSHDSACASA-N 2 2 270.377 -0.735 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)CCC1C[NH2+]C1 ZINC000638069945 357410054 /nfs/dbraw/zinc/41/00/54/357410054.db2.gz NUSNZNBTAIZRQA-NSHDSACASA-N 2 2 255.362 -0.177 20 0 CBADLP C[C@H](C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)N1CC[NH2+]CC1=O ZINC000638071011 357410167 /nfs/dbraw/zinc/41/01/67/357410167.db2.gz DIAVUUBRZPWACG-CHWSQXEVSA-N 2 2 296.415 -0.393 20 0 CBADLP C[C@H](C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)N1CC[NH2+]CC1=O ZINC000638071011 357410168 /nfs/dbraw/zinc/41/01/68/357410168.db2.gz DIAVUUBRZPWACG-CHWSQXEVSA-N 2 2 296.415 -0.393 20 0 CBADLP C[C@H](C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)N1CC[NH2+]CC1=O ZINC000638073366 357410624 /nfs/dbraw/zinc/41/06/24/357410624.db2.gz CULBOGCTQYNHGQ-AGIUHOORSA-N 2 2 294.399 -0.450 20 0 CBADLP C[C@H](C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12)N1CC[NH2+]CC1=O ZINC000638073366 357410626 /nfs/dbraw/zinc/41/06/26/357410626.db2.gz CULBOGCTQYNHGQ-AGIUHOORSA-N 2 2 294.399 -0.450 20 0 CBADLP C[C@H](CCCC[NH3+])NC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638242705 357442341 /nfs/dbraw/zinc/44/23/41/357442341.db2.gz HFNBWZAQZDDNTQ-MNOVXSKESA-N 2 2 270.377 -0.560 20 0 CBADLP CC[NH+](CC)C[C@@H](C)NC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638077061 357412287 /nfs/dbraw/zinc/41/22/87/357412287.db2.gz PNYQHAHBEGHDSR-NEPJUHHUSA-N 2 2 284.404 -0.347 20 0 CBADLP C[C@@H](C(=O)NC[C@H](C1CC1)[NH+](C)C)N1CC[NH2+]CC1=O ZINC000638077580 357412473 /nfs/dbraw/zinc/41/24/73/357412473.db2.gz UJBCYTADCYMPTI-CMPLNLGQSA-N 2 2 282.388 -0.737 20 0 CBADLP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1c[nH+]c(N)nc1N ZINC000638082530 357412628 /nfs/dbraw/zinc/41/26/28/357412628.db2.gz DQATZTKCWUBFFO-GXSJLCMTSA-N 2 2 262.361 -0.030 20 0 CBADLP C[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1c[nH+]c(N)nc1N ZINC000638082530 357412629 /nfs/dbraw/zinc/41/26/29/357412629.db2.gz DQATZTKCWUBFFO-GXSJLCMTSA-N 2 2 262.361 -0.030 20 0 CBADLP C[C@@H](CNC(=O)[C@H](C)N1CC[NH2+]CC1=O)Cn1cc[nH+]c1 ZINC000638077396 357412661 /nfs/dbraw/zinc/41/26/61/357412661.db2.gz RWWDFPJECCJFBL-RYUDHWBXSA-N 2 2 293.371 -0.544 20 0 CBADLP C[C@H](C(=O)N[C@@H]1CCC[N@H+](C)C1)N1CC[NH2+]CC1=O ZINC000638080150 357412845 /nfs/dbraw/zinc/41/28/45/357412845.db2.gz ZOQHQBJRKREAPZ-GHMZBOCLSA-N 2 2 268.361 -0.983 20 0 CBADLP C[C@H](C(=O)N[C@@H]1CCC[N@@H+](C)C1)N1CC[NH2+]CC1=O ZINC000638080150 357412848 /nfs/dbraw/zinc/41/28/48/357412848.db2.gz ZOQHQBJRKREAPZ-GHMZBOCLSA-N 2 2 268.361 -0.983 20 0 CBADLP C[C@H](CNC(=O)[C@@H](C)N1CC[NH2+]CC1=O)Cn1cc[nH+]c1 ZINC000638077397 357412890 /nfs/dbraw/zinc/41/28/90/357412890.db2.gz RWWDFPJECCJFBL-VXGBXAGGSA-N 2 2 293.371 -0.544 20 0 CBADLP CC1(C)C[N@H+](CCNC(=O)[C@@H]2OCC[C@@H]2[NH3+])CCO1 ZINC000638089796 357414215 /nfs/dbraw/zinc/41/42/15/357414215.db2.gz DJVXLCMZBGXRFC-WDEREUQCSA-N 2 2 271.361 -0.670 20 0 CBADLP CC1(C)C[N@@H+](CCNC(=O)[C@@H]2OCC[C@@H]2[NH3+])CCO1 ZINC000638089796 357414217 /nfs/dbraw/zinc/41/42/17/357414217.db2.gz DJVXLCMZBGXRFC-WDEREUQCSA-N 2 2 271.361 -0.670 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)[C@]2(C)C[NH2+]CCO2)CCO1 ZINC000638091276 357414308 /nfs/dbraw/zinc/41/43/08/357414308.db2.gz STYLECRVEGABNN-AAEUAGOBSA-N 2 2 271.361 -0.798 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)[C@]2(C)C[NH2+]CCO2)CCO1 ZINC000638091276 357414311 /nfs/dbraw/zinc/41/43/11/357414311.db2.gz STYLECRVEGABNN-AAEUAGOBSA-N 2 2 271.361 -0.798 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)C2=CC[C@H]([NH3+])C2)CCO1 ZINC000638091785 357414817 /nfs/dbraw/zinc/41/48/17/357414817.db2.gz YVGLXKQTMUDKJM-JQWIXIFHSA-N 2 2 253.346 -0.129 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)C2=CC[C@H]([NH3+])C2)CCO1 ZINC000638091785 357414820 /nfs/dbraw/zinc/41/48/20/357414820.db2.gz YVGLXKQTMUDKJM-JQWIXIFHSA-N 2 2 253.346 -0.129 20 0 CBADLP CC1(C)C[N@H+](CCNC(=O)[C@@]2(C)C[NH2+]CCO2)CCO1 ZINC000638091012 357415021 /nfs/dbraw/zinc/41/50/21/357415021.db2.gz NWCGEKOKIRRUTP-CQSZACIVSA-N 2 2 285.388 -0.408 20 0 CBADLP CC1(C)C[N@@H+](CCNC(=O)[C@@]2(C)C[NH2+]CCO2)CCO1 ZINC000638091012 357415024 /nfs/dbraw/zinc/41/50/24/357415024.db2.gz NWCGEKOKIRRUTP-CQSZACIVSA-N 2 2 285.388 -0.408 20 0 CBADLP CC(C)[N@H+](C)CCNC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638095953 357415520 /nfs/dbraw/zinc/41/55/20/357415520.db2.gz DJSQFFUUIRHPRC-LLVKDONJSA-N 2 2 270.377 -0.737 20 0 CBADLP CC(C)[N@@H+](C)CCNC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638095953 357415523 /nfs/dbraw/zinc/41/55/23/357415523.db2.gz DJSQFFUUIRHPRC-LLVKDONJSA-N 2 2 270.377 -0.737 20 0 CBADLP C[C@H](NC(=O)[C@@]1(C)C[NH2+]CCO1)[C@H](C)[NH+]1CCOCC1 ZINC000638098286 357415880 /nfs/dbraw/zinc/41/58/80/357415880.db2.gz AKVHTSNEVBQUMH-SGMGOOAPSA-N 2 2 285.388 -0.410 20 0 CBADLP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638096344 357416025 /nfs/dbraw/zinc/41/60/25/357416025.db2.gz HSBIETQXGVTTQQ-NEPJUHHUSA-N 2 2 284.404 -0.347 20 0 CBADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638096344 357416028 /nfs/dbraw/zinc/41/60/28/357416028.db2.gz HSBIETQXGVTTQQ-NEPJUHHUSA-N 2 2 284.404 -0.347 20 0 CBADLP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638096349 357416041 /nfs/dbraw/zinc/41/60/41/357416041.db2.gz HSBIETQXGVTTQQ-VXGBXAGGSA-N 2 2 284.404 -0.347 20 0 CBADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638096349 357416044 /nfs/dbraw/zinc/41/60/44/357416044.db2.gz HSBIETQXGVTTQQ-VXGBXAGGSA-N 2 2 284.404 -0.347 20 0 CBADLP CC1(C)COCC[N@@H+]1CCNC(=O)c1cnc(C[NH3+])nc1 ZINC000638097865 357416071 /nfs/dbraw/zinc/41/60/71/357416071.db2.gz IJFMPRXYCHEQNK-UHFFFAOYSA-N 2 2 293.371 -0.224 20 0 CBADLP CC1(C)COCC[N@H+]1CCNC(=O)c1cnc(C[NH3+])nc1 ZINC000638097865 357416073 /nfs/dbraw/zinc/41/60/73/357416073.db2.gz IJFMPRXYCHEQNK-UHFFFAOYSA-N 2 2 293.371 -0.224 20 0 CBADLP CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)C1 ZINC000638100165 357416799 /nfs/dbraw/zinc/41/67/99/357416799.db2.gz KOCISHCYQAMZRZ-ABHRYQDASA-N 2 2 299.415 -0.021 20 0 CBADLP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCC[N@@H+]2CCOC[C@H]2C)C1 ZINC000638099387 357416877 /nfs/dbraw/zinc/41/68/77/357416877.db2.gz UNSQHAMHCVUBFR-DYEKYZERSA-N 2 2 285.388 -0.410 20 0 CBADLP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCC[N@H+]2CCOC[C@H]2C)C1 ZINC000638099387 357416884 /nfs/dbraw/zinc/41/68/84/357416884.db2.gz UNSQHAMHCVUBFR-DYEKYZERSA-N 2 2 285.388 -0.410 20 0 CBADLP C[C@H](C(=O)NCC[N@H+](C)C1CCCC1)N1CC[NH2+]CC1=O ZINC000638100903 357417084 /nfs/dbraw/zinc/41/70/84/357417084.db2.gz NMRDOGLWCPTXME-GFCCVEGCSA-N 2 2 296.415 -0.203 20 0 CBADLP C[C@H](C(=O)NCC[N@@H+](C)C1CCCC1)N1CC[NH2+]CC1=O ZINC000638100903 357417086 /nfs/dbraw/zinc/41/70/86/357417086.db2.gz NMRDOGLWCPTXME-GFCCVEGCSA-N 2 2 296.415 -0.203 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638100319 357417256 /nfs/dbraw/zinc/41/72/56/357417256.db2.gz YJWFSQYPEDZQCV-WCQYABFASA-N 2 2 271.361 -0.798 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638100319 357417258 /nfs/dbraw/zinc/41/72/58/357417258.db2.gz YJWFSQYPEDZQCV-WCQYABFASA-N 2 2 271.361 -0.798 20 0 CBADLP C[C@H](C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)N1CC[NH2+]CC1=O ZINC000638101226 357417516 /nfs/dbraw/zinc/41/75/16/357417516.db2.gz OTSVTCHZWYAVJF-DGCLKSJQSA-N 2 2 294.399 -0.593 20 0 CBADLP C[C@H](C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)N1CC[NH2+]CC1=O ZINC000638101226 357417519 /nfs/dbraw/zinc/41/75/19/357417519.db2.gz OTSVTCHZWYAVJF-DGCLKSJQSA-N 2 2 294.399 -0.593 20 0 CBADLP C[C@@H](C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)N1CC[NH2+]CC1=O ZINC000638101227 357417637 /nfs/dbraw/zinc/41/76/37/357417637.db2.gz OTSVTCHZWYAVJF-WCQYABFASA-N 2 2 294.399 -0.593 20 0 CBADLP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)N1CC[NH2+]CC1=O ZINC000638101227 357417642 /nfs/dbraw/zinc/41/76/42/357417642.db2.gz OTSVTCHZWYAVJF-WCQYABFASA-N 2 2 294.399 -0.593 20 0 CBADLP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638108223 357418968 /nfs/dbraw/zinc/41/89/68/357418968.db2.gz KSCZCDJNDSGTRL-OLZOCXBDSA-N 2 2 296.415 -0.251 20 0 CBADLP CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638108223 357418970 /nfs/dbraw/zinc/41/89/70/357418970.db2.gz KSCZCDJNDSGTRL-OLZOCXBDSA-N 2 2 296.415 -0.251 20 0 CBADLP CC(C)OCC[NH+]1CCN(Cc2c[nH+]c(N)nc2N)CC1 ZINC000638106333 357419850 /nfs/dbraw/zinc/41/98/50/357419850.db2.gz HWVWGZYJOLNEOV-UHFFFAOYSA-N 2 2 294.403 -0.156 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H]3OCC[C@@H]3[NH3+])C2)CC1 ZINC000638116873 357420164 /nfs/dbraw/zinc/42/01/64/357420164.db2.gz MCPASBDFHFCYQO-KWCYVHTRSA-N 3 2 296.415 -0.613 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H]3OCC[C@@H]3[NH3+])C2)CC1 ZINC000638116873 357420169 /nfs/dbraw/zinc/42/01/69/357420169.db2.gz MCPASBDFHFCYQO-KWCYVHTRSA-N 3 2 296.415 -0.613 20 0 CBADLP C[C@@H](C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1)N1CC[NH2+]CC1=O ZINC000638113452 357421087 /nfs/dbraw/zinc/42/10/87/357421087.db2.gz BUWYPVQTYFZMDY-GRYCIOLGSA-N 2 2 282.388 -0.594 20 0 CBADLP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1)N1CC[NH2+]CC1=O ZINC000638113452 357421088 /nfs/dbraw/zinc/42/10/88/357421088.db2.gz BUWYPVQTYFZMDY-GRYCIOLGSA-N 2 2 282.388 -0.594 20 0 CBADLP C[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)N1CC[NH2+]CC1=O ZINC000638125662 357423339 /nfs/dbraw/zinc/42/33/39/357423339.db2.gz YMNLGZBIHSNYAJ-FRRDWIJNSA-N 2 2 296.415 -0.252 20 0 CBADLP C[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)N1CC[NH2+]CC1=O ZINC000638125662 357423341 /nfs/dbraw/zinc/42/33/41/357423341.db2.gz YMNLGZBIHSNYAJ-FRRDWIJNSA-N 2 2 296.415 -0.252 20 0 CBADLP C[C@H](CNC(=O)[C@@]1(C)C[NH2+]CCO1)CN1CC[NH+](C)CC1 ZINC000638137519 357424013 /nfs/dbraw/zinc/42/40/13/357424013.db2.gz KLJWKUXEROIEGU-UKRRQHHQSA-N 2 2 298.431 -0.635 20 0 CBADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638142120 357425173 /nfs/dbraw/zinc/42/51/73/357425173.db2.gz YKDWYHHARLJNRR-HIFRSBDPSA-N 2 2 298.431 -0.506 20 0 CBADLP C[C@H](C(=O)N1CCC([NH+](C)C)CC1)N1CC[NH2+]CC1=O ZINC000638141142 357425408 /nfs/dbraw/zinc/42/54/08/357425408.db2.gz HOCXLYPXQCRPOM-LLVKDONJSA-N 2 2 282.388 -0.641 20 0 CBADLP C[C@@H](C(=O)N1C[C@H](C[NH3+])C[C@H]1C)N1CC[NH2+]CC1=O ZINC000638149713 357426420 /nfs/dbraw/zinc/42/64/20/357426420.db2.gz SWLKLVBQMZVUSN-VWYCJHECSA-N 2 2 268.361 -0.998 20 0 CBADLP C[C@H](C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[NH2+]CC1=O ZINC000638146178 357426529 /nfs/dbraw/zinc/42/65/29/357426529.db2.gz PQXUDFANUSELCG-FKJOKYEKSA-N 2 2 294.399 -0.452 20 0 CBADLP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@H](C)N2CC[NH2+]CC2=O)C1 ZINC000638153646 357427499 /nfs/dbraw/zinc/42/74/99/357427499.db2.gz FABKCCCDVVFDMV-GARJFASQSA-N 2 2 268.361 -0.998 20 0 CBADLP CCC[C@@H]1C[NH2+]CCN1C(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638160524 357428601 /nfs/dbraw/zinc/42/86/01/357428601.db2.gz MCVDPAXKZLPJAN-NWDGAFQWSA-N 2 2 282.388 -0.593 20 0 CBADLP C[C@@H](C(=O)NC[C@@]1(C)CCC[NH2+]C1)N1CC[NH2+]CC1=O ZINC000638162901 357428695 /nfs/dbraw/zinc/42/86/95/357428695.db2.gz BJFUTPHXDXDAIT-FZMZJTMJSA-N 2 2 282.388 -0.687 20 0 CBADLP C[C@@H](C(=O)N(C)C1CC[NH+](C)CC1)N1CC[NH2+]CC1=O ZINC000638170422 357430133 /nfs/dbraw/zinc/43/01/33/357430133.db2.gz PJRDXCLUGNWDPA-NSHDSACASA-N 2 2 282.388 -0.641 20 0 CBADLP C[C@H](C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)N1CC[NH2+]CC1=O ZINC000638198669 357434064 /nfs/dbraw/zinc/43/40/64/357434064.db2.gz LABQWPRNNMVOLR-WOPDTQHZSA-N 2 2 280.372 -0.983 20 0 CBADLP C[C@H](C(=O)N1CC[NH2+][C@@H](C)[C@@H]1C)N1CC[NH2+]CC1=O ZINC000638205589 357434920 /nfs/dbraw/zinc/43/49/20/357434920.db2.gz IHIZOAKFTZSXJY-GARJFASQSA-N 2 2 268.361 -0.985 20 0 CBADLP C[C@@H](C(=O)N1CC[NH2+][C@@H](C)[C@@H]1C)N1CC[NH2+]CC1=O ZINC000638205588 357435009 /nfs/dbraw/zinc/43/50/09/357435009.db2.gz IHIZOAKFTZSXJY-DCAQKATOSA-N 2 2 268.361 -0.985 20 0 CBADLP C[C@H](C(=O)N1CCC[C@@H](CC[NH3+])C1)N1CC[NH2+]CC1=O ZINC000638216641 357436637 /nfs/dbraw/zinc/43/66/37/357436637.db2.gz JUYQESGTWQCMIF-NEPJUHHUSA-N 2 2 282.388 -0.606 20 0 CBADLP C[C@@H](CCC[NH3+])NC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638252074 357443777 /nfs/dbraw/zinc/44/37/77/357443777.db2.gz OLSHUEASLCIMHN-UWVGGRQHSA-N 2 2 256.350 -0.950 20 0 CBADLP Cc1cnc(COCC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])o1 ZINC000637864363 357379322 /nfs/dbraw/zinc/37/93/22/357379322.db2.gz QODVTZSNDQQTIU-NSHDSACASA-N 2 2 282.344 -0.399 20 0 CBADLP Cc1cnc(COCC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])o1 ZINC000637864363 357379325 /nfs/dbraw/zinc/37/93/25/357379325.db2.gz QODVTZSNDQQTIU-NSHDSACASA-N 2 2 282.344 -0.399 20 0 CBADLP C[C@H](CCC[NH3+])NC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638252076 357444141 /nfs/dbraw/zinc/44/41/41/357444141.db2.gz OLSHUEASLCIMHN-ZJUUUORDSA-N 2 2 256.350 -0.950 20 0 CBADLP CCn1ncnc1C[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000638571904 357495456 /nfs/dbraw/zinc/49/54/56/357495456.db2.gz QUVLIAFOEJUZGS-LBPRGKRZSA-N 2 2 294.403 -0.025 20 0 CBADLP CCn1ncnc1C[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000638571904 357495459 /nfs/dbraw/zinc/49/54/59/357495459.db2.gz QUVLIAFOEJUZGS-LBPRGKRZSA-N 2 2 294.403 -0.025 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000638609237 357502521 /nfs/dbraw/zinc/50/25/21/357502521.db2.gz FRRCFFKIQBCTOQ-GXSJLCMTSA-N 2 2 295.305 -0.025 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000638609237 357502522 /nfs/dbraw/zinc/50/25/22/357502522.db2.gz FRRCFFKIQBCTOQ-GXSJLCMTSA-N 2 2 295.305 -0.025 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000638610922 357502751 /nfs/dbraw/zinc/50/27/51/357502751.db2.gz LZNVNLYYXGXFHY-WCQYABFASA-N 2 2 255.362 -0.177 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000638610922 357502754 /nfs/dbraw/zinc/50/27/54/357502754.db2.gz LZNVNLYYXGXFHY-WCQYABFASA-N 2 2 255.362 -0.177 20 0 CBADLP COCC1(C(=O)NC[C@@H]2COCC[N@@H+]2C)CC[NH2+]CC1 ZINC000638612307 357503615 /nfs/dbraw/zinc/50/36/15/357503615.db2.gz UKRIRHOWHXLADX-GFCCVEGCSA-N 2 2 285.388 -0.551 20 0 CBADLP COCC1(C(=O)NC[C@@H]2COCC[N@H+]2C)CC[NH2+]CC1 ZINC000638612307 357503619 /nfs/dbraw/zinc/50/36/19/357503619.db2.gz UKRIRHOWHXLADX-GFCCVEGCSA-N 2 2 285.388 -0.551 20 0 CBADLP C[C@H]1C[C@@H](C(=O)NC[C@@H]2COCC[N@@H+]2C)CC[NH2+]1 ZINC000638612070 357504284 /nfs/dbraw/zinc/50/42/84/357504284.db2.gz SFWCMFUYLUISQH-SDDRHHMPSA-N 2 2 255.362 -0.179 20 0 CBADLP C[C@H]1C[C@@H](C(=O)NC[C@@H]2COCC[N@H+]2C)CC[NH2+]1 ZINC000638612070 357504285 /nfs/dbraw/zinc/50/42/85/357504285.db2.gz SFWCMFUYLUISQH-SDDRHHMPSA-N 2 2 255.362 -0.179 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000638612651 357505555 /nfs/dbraw/zinc/50/55/55/357505555.db2.gz WPFLZPMLXCFRHK-NWDGAFQWSA-N 2 2 267.373 -0.177 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000638612651 357505556 /nfs/dbraw/zinc/50/55/56/357505556.db2.gz WPFLZPMLXCFRHK-NWDGAFQWSA-N 2 2 267.373 -0.177 20 0 CBADLP C[C@H](CC(=O)NC[C@@H]1COCC[NH2+]1)n1cc[nH+]c1 ZINC000638613762 357506963 /nfs/dbraw/zinc/50/69/63/357506963.db2.gz LPQYGQOCRFWEDD-GHMZBOCLSA-N 2 2 252.318 -0.061 20 0 CBADLP O=C(NC[C@H]1COCC[NH2+]1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000638616315 357507588 /nfs/dbraw/zinc/50/75/88/357507588.db2.gz KQFRRLYATBYNHY-JSGCOSHPSA-N 2 2 297.399 -0.266 20 0 CBADLP O=C(NC[C@H]1COCC[NH2+]1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000638616315 357507590 /nfs/dbraw/zinc/50/75/90/357507590.db2.gz KQFRRLYATBYNHY-JSGCOSHPSA-N 2 2 297.399 -0.266 20 0 CBADLP C[C@@H](C(=O)N[C@@H](CC[NH3+])C(F)(F)F)N1CC[NH2+]CC1=O ZINC000638266994 357446134 /nfs/dbraw/zinc/44/61/34/357446134.db2.gz KXQGOIQYKTWHKC-YUMQZZPRSA-N 2 2 296.293 -0.797 20 0 CBADLP C[C@H](C(=O)N1CC[NH2+]C(C)(C)C1)N1CC[NH2+]CC1=O ZINC000638269864 357446992 /nfs/dbraw/zinc/44/69/92/357446992.db2.gz CHHQPPBEIRCKOX-SNVBAGLBSA-N 2 2 268.361 -0.983 20 0 CBADLP C[C@@H](C(=O)N[C@@H]1CC[NH2+]C1(C)C)N1CC[NH2+]CC1=O ZINC000638270059 357447110 /nfs/dbraw/zinc/44/71/10/357447110.db2.gz FDUFEZNSPFBRTD-VHSXEESVSA-N 2 2 268.361 -0.937 20 0 CBADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)[NH2+]CC)CC1 ZINC000638274886 357448459 /nfs/dbraw/zinc/44/84/59/357448459.db2.gz QBJYIEKBNSSDAR-LBPRGKRZSA-N 2 2 284.404 -0.345 20 0 CBADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C)[NH2+]CC)CC1 ZINC000638274886 357448461 /nfs/dbraw/zinc/44/84/61/357448461.db2.gz QBJYIEKBNSSDAR-LBPRGKRZSA-N 2 2 284.404 -0.345 20 0 CBADLP C[C@H](C(=O)N1CCCC[C@@H]1C[NH+](C)C)N1CC[NH2+]CC1=O ZINC000638277986 357449091 /nfs/dbraw/zinc/44/90/91/357449091.db2.gz XXNHDJFNNFHORH-CHWSQXEVSA-N 2 2 296.415 -0.251 20 0 CBADLP C[C@H](C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21)N1CC[NH2+]CC1=O ZINC000638313108 357455167 /nfs/dbraw/zinc/45/51/67/357455167.db2.gz PJCZBSKQJXOQPY-FRRDWIJNSA-N 2 2 294.399 -0.641 20 0 CBADLP C[C@H](C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21)N1CC[NH2+]CC1=O ZINC000638313108 357455171 /nfs/dbraw/zinc/45/51/71/357455171.db2.gz PJCZBSKQJXOQPY-FRRDWIJNSA-N 2 2 294.399 -0.641 20 0 CBADLP C[C@H](C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21)N1CC[NH2+]CC1=O ZINC000638313107 357455354 /nfs/dbraw/zinc/45/53/54/357455354.db2.gz PJCZBSKQJXOQPY-AGIUHOORSA-N 2 2 294.399 -0.641 20 0 CBADLP C[C@H](C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21)N1CC[NH2+]CC1=O ZINC000638313107 357455357 /nfs/dbraw/zinc/45/53/57/357455357.db2.gz PJCZBSKQJXOQPY-AGIUHOORSA-N 2 2 294.399 -0.641 20 0 CBADLP C[C@@H](C(=O)N[C@@H](C[NH3+])C(C)(C)C)N1CC[NH2+]CC1=O ZINC000638332633 357458091 /nfs/dbraw/zinc/45/80/91/357458091.db2.gz JHALVRZJJGFXEL-UWVGGRQHSA-N 2 2 270.377 -0.704 20 0 CBADLP CC(C)[N@@H+]1CCCN(C(=O)[C@H](C)N2CC[NH2+]CC2=O)CC1 ZINC000638376234 357464001 /nfs/dbraw/zinc/46/40/01/357464001.db2.gz MAXKXFXBQXIIRM-ZDUSSCGKSA-N 2 2 296.415 -0.251 20 0 CBADLP CC(C)[N@H+]1CCCN(C(=O)[C@H](C)N2CC[NH2+]CC2=O)CC1 ZINC000638376234 357464004 /nfs/dbraw/zinc/46/40/04/357464004.db2.gz MAXKXFXBQXIIRM-ZDUSSCGKSA-N 2 2 296.415 -0.251 20 0 CBADLP COCCOCC[NH+]1CCN(C(=O)C[C@H](C)[NH3+])CC1 ZINC000638395649 357467157 /nfs/dbraw/zinc/46/71/57/357467157.db2.gz DLNQRTUDDMNWSA-LBPRGKRZSA-N 2 2 273.377 -0.469 20 0 CBADLP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)C1 ZINC000638405181 357469700 /nfs/dbraw/zinc/46/97/00/357469700.db2.gz AGRTZUISKLMGQX-CXTNEJHOSA-N 2 2 299.415 -0.021 20 0 CBADLP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCC[N@H+]2C[C@@H](C)OC[C@H]2C)C1 ZINC000638405181 357469702 /nfs/dbraw/zinc/46/97/02/357469702.db2.gz AGRTZUISKLMGQX-CXTNEJHOSA-N 2 2 299.415 -0.021 20 0 CBADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638405445 357469820 /nfs/dbraw/zinc/46/98/20/357469820.db2.gz CRWVXQFBYKKAEF-NOOOWODRSA-N 2 2 271.361 -0.672 20 0 CBADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638405445 357469822 /nfs/dbraw/zinc/46/98/22/357469822.db2.gz CRWVXQFBYKKAEF-NOOOWODRSA-N 2 2 271.361 -0.672 20 0 CBADLP CC[NH2+][C@H](C)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000638408368 357470880 /nfs/dbraw/zinc/47/08/80/357470880.db2.gz GTDFZGRNUSZMAG-GFCCVEGCSA-N 3 2 258.410 -0.016 20 0 CBADLP CC[NH2+][C@H](C)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000638408368 357470881 /nfs/dbraw/zinc/47/08/81/357470881.db2.gz GTDFZGRNUSZMAG-GFCCVEGCSA-N 3 2 258.410 -0.016 20 0 CBADLP CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)N2CC[NH2+]CC2=O)C1 ZINC000638424722 357473839 /nfs/dbraw/zinc/47/38/39/357473839.db2.gz IVFFOEARQJOJBU-VXGBXAGGSA-N 2 2 282.388 -0.593 20 0 CBADLP CCC[N@H+]1CC[C@@H](NC(=O)[C@@H](C)N2CC[NH2+]CC2=O)C1 ZINC000638424722 357473840 /nfs/dbraw/zinc/47/38/40/357473840.db2.gz IVFFOEARQJOJBU-VXGBXAGGSA-N 2 2 282.388 -0.593 20 0 CBADLP [NH3+][C@@H]1CC=C(C(=O)NC[C@@H]2CN3CC[N@@H+]2CCC3)C1 ZINC000638427225 357474672 /nfs/dbraw/zinc/47/46/72/357474672.db2.gz VFWQMAIGGJDWOD-CHWSQXEVSA-N 2 2 264.373 -0.460 20 0 CBADLP [NH3+][C@@H]1CC=C(C(=O)NC[C@@H]2CN3CC[N@H+]2CCC3)C1 ZINC000638427225 357474676 /nfs/dbraw/zinc/47/46/76/357474676.db2.gz VFWQMAIGGJDWOD-CHWSQXEVSA-N 2 2 264.373 -0.460 20 0 CBADLP C[C@H](NC(=O)[C@]1(C)C[NH2+]CCO1)c1[nH+]ccn1C ZINC000638429125 357475074 /nfs/dbraw/zinc/47/50/74/357475074.db2.gz HDKIABNAZQUODB-CABZTGNLSA-N 2 2 252.318 -0.024 20 0 CBADLP C[C@@H](C[C@@H]1CCCC(=O)N1)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000638440955 357477490 /nfs/dbraw/zinc/47/74/90/357477490.db2.gz XQFLKKMCFVHEIS-STQMWFEESA-N 2 2 296.415 -0.203 20 0 CBADLP CC[C@]1(C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)CCC[NH2+]1 ZINC000638446872 357478447 /nfs/dbraw/zinc/47/84/47/357478447.db2.gz VCLUXDYGLJVIDC-DZGCQCFKSA-N 2 2 299.415 -0.330 20 0 CBADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C1=CC[C@H]([NH3+])C1 ZINC000638445030 357478729 /nfs/dbraw/zinc/47/87/29/357478729.db2.gz DPOAVTLAZWPNKD-QWHCGFSZSA-N 2 2 283.372 -0.815 20 0 CBADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CCC(C)(C)[NH3+] ZINC000638446737 357478906 /nfs/dbraw/zinc/47/89/06/357478906.db2.gz RBRXPZYVZDRZGD-LBPRGKRZSA-N 2 2 287.404 -0.345 20 0 CBADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1ncnn1C ZINC000638481327 357482929 /nfs/dbraw/zinc/48/29/29/357482929.db2.gz IBHFWYIGUZHAAT-LBPRGKRZSA-N 2 2 294.403 -0.153 20 0 CBADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1ncnn1C ZINC000638481327 357482931 /nfs/dbraw/zinc/48/29/31/357482931.db2.gz IBHFWYIGUZHAAT-LBPRGKRZSA-N 2 2 294.403 -0.153 20 0 CBADLP CO[C@@H](C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)[C@H]1CCOC1 ZINC000639350485 357569163 /nfs/dbraw/zinc/56/91/63/357569163.db2.gz ZLSHQUVUSMDFHV-IHRRRGAJSA-N 2 2 299.415 -0.033 20 0 CBADLP CO[C@@H](C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)[C@H]1CCOC1 ZINC000639350485 357569168 /nfs/dbraw/zinc/56/91/68/357569168.db2.gz ZLSHQUVUSMDFHV-IHRRRGAJSA-N 2 2 299.415 -0.033 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCO[C@H](CCF)C1 ZINC000638683155 357521067 /nfs/dbraw/zinc/52/10/67/357521067.db2.gz CSSBDRWIPUORSV-GHMZBOCLSA-N 2 2 261.341 -0.148 20 0 CBADLP CCN1C(=O)[C@H]2C[N@H+](CCc3c[nH+]cn3C)CCN2C1=O ZINC000639514747 357575345 /nfs/dbraw/zinc/57/53/45/357575345.db2.gz NTKNHNZBTXODGC-GFCCVEGCSA-N 2 2 291.355 -0.069 20 0 CBADLP CCN1C(=O)[C@H]2C[N@@H+](CCc3c[nH+]cn3C)CCN2C1=O ZINC000639514747 357575346 /nfs/dbraw/zinc/57/53/46/357575346.db2.gz NTKNHNZBTXODGC-GFCCVEGCSA-N 2 2 291.355 -0.069 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000638767569 357527325 /nfs/dbraw/zinc/52/73/25/357527325.db2.gz GTCPVMWDMXKMKW-WDEREUQCSA-N 2 2 270.377 -0.691 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000638767569 357527326 /nfs/dbraw/zinc/52/73/26/357527326.db2.gz GTCPVMWDMXKMKW-WDEREUQCSA-N 2 2 270.377 -0.691 20 0 CBADLP CC(=O)NC[C@@H]1CCCCN1C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000638793631 357529240 /nfs/dbraw/zinc/52/92/40/357529240.db2.gz COFMTHNVARETCP-QWHCGFSZSA-N 2 2 284.404 -0.217 20 0 CBADLP CN(CCNC(=O)[C@H]([NH3+])CC[NH+](C)C)CC(F)F ZINC000638794467 357529339 /nfs/dbraw/zinc/52/93/39/357529339.db2.gz DKAZCWFULGPLOZ-SECBINFHSA-N 2 2 266.336 -0.422 20 0 CBADLP C[C@H](C(=O)N(C)[C@H]1C[NH+]2CCC1CC2)N1CC[NH2+]CC1=O ZINC000638854943 357538460 /nfs/dbraw/zinc/53/84/60/357538460.db2.gz WZBNCPMKGSTPGB-YPMHNXCESA-N 2 2 294.399 -0.641 20 0 CBADLP C[C@H](C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1)[NH+]1CCN(C)CC1 ZINC000638892994 357540932 /nfs/dbraw/zinc/54/09/32/357540932.db2.gz KZVBGHQWFORPHJ-JHJVBQTASA-N 2 2 268.405 -0.325 20 0 CBADLP C[C@@H](C[NH3+])C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000639003192 357549853 /nfs/dbraw/zinc/54/98/53/357549853.db2.gz FDIVMXARDGLECH-LBPRGKRZSA-N 2 2 277.372 -0.242 20 0 CBADLP O=C(C[NH2+]C1CC1)N1CC[NH+](CCc2cnccn2)CC1 ZINC000639005594 357551487 /nfs/dbraw/zinc/55/14/87/357551487.db2.gz XQDMCRFNGWXRGT-UHFFFAOYSA-N 2 2 289.383 -0.085 20 0 CBADLP C[C@H](C(=O)N1CCC[C@@H]2C[NH2+]CC[C@H]21)N1CC[NH2+]CC1=O ZINC000639019132 357553111 /nfs/dbraw/zinc/55/31/11/357553111.db2.gz CNISKGWDAVEOQZ-JHJVBQTASA-N 2 2 294.399 -0.593 20 0 CBADLP C[N@@H+]1CC[C@H]2OCCN(Cc3c[nH+]c(N)nc3N)[C@@H]2C1 ZINC000639151654 357559037 /nfs/dbraw/zinc/55/90/37/357559037.db2.gz NGYHZBRFEFNJMT-GHMZBOCLSA-N 2 2 278.360 -0.793 20 0 CBADLP C[N@H+]1CC[C@H]2OCCN(Cc3c[nH+]c(N)nc3N)[C@@H]2C1 ZINC000639151654 357559040 /nfs/dbraw/zinc/55/90/40/357559040.db2.gz NGYHZBRFEFNJMT-GHMZBOCLSA-N 2 2 278.360 -0.793 20 0 CBADLP CO[C@H]1C[C@@H](CN(C)Cc2c[nH+]c(N)nc2N)[N@H+](C)C1 ZINC000639151598 357559598 /nfs/dbraw/zinc/55/95/98/357559598.db2.gz BSALHECVFCKACH-QWRGUYRKSA-N 2 2 280.376 -0.547 20 0 CBADLP CO[C@H]1C[C@@H](CN(C)Cc2c[nH+]c(N)nc2N)[N@@H+](C)C1 ZINC000639151598 357559601 /nfs/dbraw/zinc/55/96/01/357559601.db2.gz BSALHECVFCKACH-QWRGUYRKSA-N 2 2 280.376 -0.547 20 0 CBADLP CN(Cc1c[nH+]c(N)nc1N)C[C@H]1CCC[N@@H+]1C ZINC000639298157 357566265 /nfs/dbraw/zinc/56/62/65/357566265.db2.gz WIXNNVYKDRCUIP-SNVBAGLBSA-N 2 2 250.350 -0.172 20 0 CBADLP CN(Cc1c[nH+]c(N)nc1N)C[C@H]1CCC[N@H+]1C ZINC000639298157 357566266 /nfs/dbraw/zinc/56/62/66/357566266.db2.gz WIXNNVYKDRCUIP-SNVBAGLBSA-N 2 2 250.350 -0.172 20 0 CBADLP CNS(=O)(=O)N1CC[NH+](CCc2c[nH+]cn2C)CC1 ZINC000639645159 357581391 /nfs/dbraw/zinc/58/13/91/357581391.db2.gz BKAQRRLKGIMDMS-UHFFFAOYSA-N 2 2 287.389 -0.956 20 0 CBADLP Cn1c[nH+]cc1CC[N@@H+]1CCOC[C@H]1CC(N)=O ZINC000639669873 357584346 /nfs/dbraw/zinc/58/43/46/357584346.db2.gz BKFTXKXZPNHSBN-LLVKDONJSA-N 2 2 252.318 -0.461 20 0 CBADLP Cn1c[nH+]cc1CC[N@H+]1CCOC[C@H]1CC(N)=O ZINC000639669873 357584347 /nfs/dbraw/zinc/58/43/47/357584347.db2.gz BKFTXKXZPNHSBN-LLVKDONJSA-N 2 2 252.318 -0.461 20 0 CBADLP C[NH+](C)CCN1CC[N@H+](Cc2cc[nH]c(=O)c2)CC1=O ZINC000639720992 357587694 /nfs/dbraw/zinc/58/76/94/357587694.db2.gz ZHAVNFCOBNEDFS-UHFFFAOYSA-N 2 2 278.356 -0.007 20 0 CBADLP C[NH+](C)CCN1CC[N@@H+](Cc2cc[nH]c(=O)c2)CC1=O ZINC000639720992 357587697 /nfs/dbraw/zinc/58/76/97/357587697.db2.gz ZHAVNFCOBNEDFS-UHFFFAOYSA-N 2 2 278.356 -0.007 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](c2cc(=O)[nH]c(=O)[nH]2)C1 ZINC000639712879 357587843 /nfs/dbraw/zinc/58/78/43/357587843.db2.gz DHEHGTCLDXHYEO-QWRGUYRKSA-N 2 2 296.371 -0.010 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](c2cc(=O)[nH]c(=O)[nH]2)C1 ZINC000639712879 357587845 /nfs/dbraw/zinc/58/78/45/357587845.db2.gz DHEHGTCLDXHYEO-QWRGUYRKSA-N 2 2 296.371 -0.010 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](c2cc(=O)[nH]c(=O)[nH]2)C1 ZINC000639712879 357587847 /nfs/dbraw/zinc/58/78/47/357587847.db2.gz DHEHGTCLDXHYEO-QWRGUYRKSA-N 2 2 296.371 -0.010 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](c2cc(=O)[nH]c(=O)[nH]2)C1 ZINC000639712879 357587850 /nfs/dbraw/zinc/58/78/50/357587850.db2.gz DHEHGTCLDXHYEO-QWRGUYRKSA-N 2 2 296.371 -0.010 20 0 CBADLP CN(C)S(=O)(=O)CC[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639761788 357596303 /nfs/dbraw/zinc/59/63/03/357596303.db2.gz DWEWIVDSNDKMAS-GFCCVEGCSA-N 2 2 293.433 -0.734 20 0 CBADLP CN(C)S(=O)(=O)CC[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639761788 357596306 /nfs/dbraw/zinc/59/63/06/357596306.db2.gz DWEWIVDSNDKMAS-GFCCVEGCSA-N 2 2 293.433 -0.734 20 0 CBADLP CCN(C)C(=O)C[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639762200 357596412 /nfs/dbraw/zinc/59/64/12/357596412.db2.gz KQAMBMMLUYPKFR-ZDUSSCGKSA-N 2 2 257.378 -0.147 20 0 CBADLP CCN(C)C(=O)C[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639762200 357596413 /nfs/dbraw/zinc/59/64/13/357596413.db2.gz KQAMBMMLUYPKFR-ZDUSSCGKSA-N 2 2 257.378 -0.147 20 0 CBADLP C[C@@H]1NC(=O)N(CC[N@@H+]2CCC[C@@](O)(C[NH+](C)C)C2)C1=O ZINC000639762058 357596435 /nfs/dbraw/zinc/59/64/35/357596435.db2.gz JMZTXHJUOIBEMS-SMDDNHRTSA-N 2 2 298.387 -0.685 20 0 CBADLP C[C@@H]1NC(=O)N(CC[N@H+]2CCC[C@@](O)(C[NH+](C)C)C2)C1=O ZINC000639762058 357596436 /nfs/dbraw/zinc/59/64/36/357596436.db2.gz JMZTXHJUOIBEMS-SMDDNHRTSA-N 2 2 298.387 -0.685 20 0 CBADLP C[N@H+](C[C@H](O)C[NH+]1C[C@@H](O)C[C@@]1(C)CO)C1CC1 ZINC000639847375 357604980 /nfs/dbraw/zinc/60/49/80/357604980.db2.gz AVLXCLZJHVFCDT-AVGNSLFASA-N 2 2 258.362 -0.741 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH+]1C[C@@H](O)C[C@@]1(C)CO)C1CC1 ZINC000639847375 357604983 /nfs/dbraw/zinc/60/49/83/357604983.db2.gz AVLXCLZJHVFCDT-AVGNSLFASA-N 2 2 258.362 -0.741 20 0 CBADLP C[NH+](C[C@H](O)C[N@@H+]1C[C@@H](O)C[C@@]1(C)CO)C1CC1 ZINC000639847375 357604984 /nfs/dbraw/zinc/60/49/84/357604984.db2.gz AVLXCLZJHVFCDT-AVGNSLFASA-N 2 2 258.362 -0.741 20 0 CBADLP C[NH+](C[C@H](O)C[N@H+]1C[C@@H](O)C[C@@]1(C)CO)C1CC1 ZINC000639847375 357604987 /nfs/dbraw/zinc/60/49/87/357604987.db2.gz AVLXCLZJHVFCDT-AVGNSLFASA-N 2 2 258.362 -0.741 20 0 CBADLP C[C@@H]1C[N@@H+](CCN2CC[NH+](C)C[C@@H]2CO)C[C@H](C)O1 ZINC000639866262 357613232 /nfs/dbraw/zinc/61/32/32/357613232.db2.gz DCTDJNXJDZAKRX-HZSPNIEDSA-N 2 2 271.405 -0.296 20 0 CBADLP C[C@@H]1C[N@H+](CCN2CC[NH+](C)C[C@@H]2CO)C[C@H](C)O1 ZINC000639866262 357613234 /nfs/dbraw/zinc/61/32/34/357613234.db2.gz DCTDJNXJDZAKRX-HZSPNIEDSA-N 2 2 271.405 -0.296 20 0 CBADLP C[C@@H]1C[NH+](CCN2CC[N@H+](C)C[C@@H]2CO)C[C@H](C)O1 ZINC000639866262 357613237 /nfs/dbraw/zinc/61/32/37/357613237.db2.gz DCTDJNXJDZAKRX-HZSPNIEDSA-N 2 2 271.405 -0.296 20 0 CBADLP C[C@@H]1C[NH+](CCN2CC[N@@H+](C)C[C@@H]2CO)C[C@H](C)O1 ZINC000639866262 357613239 /nfs/dbraw/zinc/61/32/39/357613239.db2.gz DCTDJNXJDZAKRX-HZSPNIEDSA-N 2 2 271.405 -0.296 20 0 CBADLP CN(C)C(=O)CCC[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640051002 357631699 /nfs/dbraw/zinc/63/16/99/357631699.db2.gz CBQMIJITEJEHLF-UHFFFAOYSA-N 2 2 284.404 -0.439 20 0 CBADLP CN(C)C(=O)CCC[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640051002 357631700 /nfs/dbraw/zinc/63/17/00/357631700.db2.gz CBQMIJITEJEHLF-UHFFFAOYSA-N 2 2 284.404 -0.439 20 0 CBADLP Cc1[nH+]ccn1CC[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640051728 357632686 /nfs/dbraw/zinc/63/26/86/357632686.db2.gz XTDZFBXAJPKNON-UHFFFAOYSA-N 3 2 279.388 -0.103 20 0 CBADLP Cc1[nH+]ccn1CC[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640051728 357632691 /nfs/dbraw/zinc/63/26/91/357632691.db2.gz XTDZFBXAJPKNON-UHFFFAOYSA-N 3 2 279.388 -0.103 20 0 CBADLP Cc1[nH+]ccn1CC[N@@H+](C)CC(=O)N1CCN(C)CC1 ZINC000640051728 357632696 /nfs/dbraw/zinc/63/26/96/357632696.db2.gz XTDZFBXAJPKNON-UHFFFAOYSA-N 2 2 279.388 -0.103 20 0 CBADLP Cc1[nH+]ccn1CC[N@H+](C)CC(=O)N1CCN(C)CC1 ZINC000640051728 357632700 /nfs/dbraw/zinc/63/27/00/357632700.db2.gz XTDZFBXAJPKNON-UHFFFAOYSA-N 2 2 279.388 -0.103 20 0 CBADLP C[N@@H+]1C[C@H]2CCN(S(=O)(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC000641508669 357714767 /nfs/dbraw/zinc/71/47/67/357714767.db2.gz ROYFESLYVKOIFL-VXGBXAGGSA-N 2 2 284.385 -0.151 20 0 CBADLP C[N@H+]1C[C@H]2CCN(S(=O)(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC000641508669 357714768 /nfs/dbraw/zinc/71/47/68/357714768.db2.gz ROYFESLYVKOIFL-VXGBXAGGSA-N 2 2 284.385 -0.151 20 0 CBADLP C[NH+](C)C1(CNS(=O)(=O)CCn2cc[nH+]c2)CC1 ZINC000641546997 357723006 /nfs/dbraw/zinc/72/30/06/357723006.db2.gz JGARVKHGTPHAES-UHFFFAOYSA-N 2 2 272.374 -0.103 20 0 CBADLP CC(C)[N@H+](C)C[C@@H](O)Cn1cc(C[NH+](C)CCO)nn1 ZINC000641224851 357682756 /nfs/dbraw/zinc/68/27/56/357682756.db2.gz XRHNACUUWJZWJZ-CYBMUJFWSA-N 2 2 285.392 -0.597 20 0 CBADLP CC(C)[N@@H+](C)C[C@@H](O)Cn1cc(C[NH+](C)CCO)nn1 ZINC000641224851 357682760 /nfs/dbraw/zinc/68/27/60/357682760.db2.gz XRHNACUUWJZWJZ-CYBMUJFWSA-N 2 2 285.392 -0.597 20 0 CBADLP CC(C)[NH+](C)C[C@@H](O)Cn1cc(C[N@H+](C)CCO)nn1 ZINC000641224851 357682764 /nfs/dbraw/zinc/68/27/64/357682764.db2.gz XRHNACUUWJZWJZ-CYBMUJFWSA-N 2 2 285.392 -0.597 20 0 CBADLP CC(C)[NH+](C)C[C@@H](O)Cn1cc(C[N@@H+](C)CCO)nn1 ZINC000641224851 357682769 /nfs/dbraw/zinc/68/27/69/357682769.db2.gz XRHNACUUWJZWJZ-CYBMUJFWSA-N 2 2 285.392 -0.597 20 0 CBADLP C[NH+]1CCC(NS(=O)(=O)CCn2cc[nH+]c2)CC1 ZINC000641259319 357685717 /nfs/dbraw/zinc/68/57/17/357685717.db2.gz POLZOLFRWTXPDO-UHFFFAOYSA-N 2 2 272.374 -0.103 20 0 CBADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000641796983 357743362 /nfs/dbraw/zinc/74/33/62/357743362.db2.gz ONZFBYZEYQTTOY-GFCCVEGCSA-N 3 2 279.388 -0.251 20 0 CBADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000641796983 357743364 /nfs/dbraw/zinc/74/33/64/357743364.db2.gz ONZFBYZEYQTTOY-GFCCVEGCSA-N 3 2 279.388 -0.251 20 0 CBADLP O=C(N1CC[NH2+]CC1)N1CC[NH+](CCc2cn[nH]c2)CC1 ZINC000641821668 357745784 /nfs/dbraw/zinc/74/57/84/357745784.db2.gz NWODYNOJALZWNI-UHFFFAOYSA-N 2 2 292.387 -0.405 20 0 CBADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)C(C)(C)C2)[C@@H](C)C[NH2+]1 ZINC000641825854 357746404 /nfs/dbraw/zinc/74/64/04/357746404.db2.gz XPJNLPOQOHVWTH-NEPJUHHUSA-N 2 2 296.415 -0.252 20 0 CBADLP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C)C(C)(C)C2)[C@@H](C)C[NH2+]1 ZINC000641825854 357746408 /nfs/dbraw/zinc/74/64/08/357746408.db2.gz XPJNLPOQOHVWTH-NEPJUHHUSA-N 2 2 296.415 -0.252 20 0 CBADLP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)NCCC[NH3+])C1 ZINC000642789018 357763914 /nfs/dbraw/zinc/76/39/14/357763914.db2.gz MEWZKYZAIYYIRA-ZDUSSCGKSA-N 2 2 290.367 -0.246 20 0 CBADLP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)NCCC[NH3+])C1 ZINC000642789018 357763916 /nfs/dbraw/zinc/76/39/16/357763916.db2.gz MEWZKYZAIYYIRA-ZDUSSCGKSA-N 2 2 290.367 -0.246 20 0 CBADLP [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC000642911598 357768333 /nfs/dbraw/zinc/76/83/33/357768333.db2.gz HNDDEZVXTLZXQW-VXGBXAGGSA-N 2 2 294.399 -0.321 20 0 CBADLP C[C@H](O)CNc1cc(NC[C@@](C)(O)C[NH+](C)C)nc[nH+]1 ZINC000294502408 199064629 /nfs/dbraw/zinc/06/46/29/199064629.db2.gz SUHXSUKXLPKDCW-GXFFZTMASA-N 2 2 283.376 -0.006 20 0 CBADLP C[C@H](O)CNc1cc(NC[C@@](C)(O)C[NH+](C)C)[nH+]cn1 ZINC000294502408 199064630 /nfs/dbraw/zinc/06/46/30/199064630.db2.gz SUHXSUKXLPKDCW-GXFFZTMASA-N 2 2 283.376 -0.006 20 0 CBADLP CNC(=O)C[NH+]1CCCC2(CCC[N@@H+](CC(=O)NC)C2)C1 ZINC000368691593 283317647 /nfs/dbraw/zinc/31/76/47/283317647.db2.gz GRIDWKQDLNIDME-UHFFFAOYSA-N 2 2 296.415 -0.344 20 0 CBADLP CNC(=O)C[NH+]1CCCC2(CCC[N@H+](CC(=O)NC)C2)C1 ZINC000368691593 283317648 /nfs/dbraw/zinc/31/76/48/283317648.db2.gz GRIDWKQDLNIDME-UHFFFAOYSA-N 2 2 296.415 -0.344 20 0 CBADLP CNC(=O)NC(=O)CC[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000373135899 283348586 /nfs/dbraw/zinc/34/85/86/283348586.db2.gz BKVHQFDCPADOMD-WDEREUQCSA-N 2 2 268.361 -0.142 20 0 CBADLP CNC(=O)NC(=O)CC[N@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000373135899 283348593 /nfs/dbraw/zinc/34/85/93/283348593.db2.gz BKVHQFDCPADOMD-WDEREUQCSA-N 2 2 268.361 -0.142 20 0 CBADLP CNC(=O)NC(=O)CC[NH+]1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000373135899 283348595 /nfs/dbraw/zinc/34/85/95/283348595.db2.gz BKVHQFDCPADOMD-WDEREUQCSA-N 2 2 268.361 -0.142 20 0 CBADLP CNC(=O)NC(=O)CC[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000373135899 283348599 /nfs/dbraw/zinc/34/85/99/283348599.db2.gz BKVHQFDCPADOMD-WDEREUQCSA-N 2 2 268.361 -0.142 20 0 CBADLP C[N@@H+]1CCO[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC000329211139 202234777 /nfs/dbraw/zinc/23/47/77/202234777.db2.gz ZCYYFYRVTKRERM-NEPJUHHUSA-N 2 2 264.329 -0.185 20 0 CBADLP C[N@H+]1CCO[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC000329211139 202234780 /nfs/dbraw/zinc/23/47/80/202234780.db2.gz ZCYYFYRVTKRERM-NEPJUHHUSA-N 2 2 264.329 -0.185 20 0 CBADLP C[C@@H]([NH3+])[C@@H](C)C(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC000156635320 296021139 /nfs/dbraw/zinc/02/11/39/296021139.db2.gz GIAQCYJELMZTIV-VXGBXAGGSA-N 2 2 284.404 -0.408 20 0 CBADLP C[C@@H]([NH3+])[C@@H](C)C(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC000156635320 296021141 /nfs/dbraw/zinc/02/11/41/296021141.db2.gz GIAQCYJELMZTIV-VXGBXAGGSA-N 2 2 284.404 -0.408 20 0 CBADLP Cn1c(C[NH2+]CC2([NH3+])CCC2)cc(=O)n(C)c1=O ZINC000342110481 216221133 /nfs/dbraw/zinc/22/11/33/216221133.db2.gz SLGHYWVHNFKNGJ-UHFFFAOYSA-N 2 2 252.318 -0.945 20 0 CBADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000182397889 189322368 /nfs/dbraw/zinc/32/23/68/189322368.db2.gz QEGQPHAVRYKKGE-NWDGAFQWSA-N 2 2 283.372 -0.166 20 0 CBADLP [NH3+]CC[N@H+](CCO)CCC(=O)NC(=O)Nc1ccccc1 ZINC000342395591 216336890 /nfs/dbraw/zinc/33/68/90/216336890.db2.gz CURGSELWEHRDSS-UHFFFAOYSA-N 2 2 294.355 -0.022 20 0 CBADLP [NH3+]CC[N@@H+](CCO)CCC(=O)NC(=O)Nc1ccccc1 ZINC000342395591 216336893 /nfs/dbraw/zinc/33/68/93/216336893.db2.gz CURGSELWEHRDSS-UHFFFAOYSA-N 2 2 294.355 -0.022 20 0 CBADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC000342519961 216382548 /nfs/dbraw/zinc/38/25/48/216382548.db2.gz ZSIXJDVWWLSYEP-MCIONIFRSA-N 2 2 282.432 -0.064 20 0 CBADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC000342519961 216382549 /nfs/dbraw/zinc/38/25/49/216382549.db2.gz ZSIXJDVWWLSYEP-MCIONIFRSA-N 2 2 282.432 -0.064 20 0 CBADLP C[C@@H](NC(=O)C[NH2+]CC1([NH3+])CCC1)C(=O)N1CCCCC1 ZINC000342150855 296049642 /nfs/dbraw/zinc/04/96/42/296049642.db2.gz ZSAOEKOJCOMGTD-GFCCVEGCSA-N 2 2 296.415 -0.025 20 0 CBADLP CC[C@H](CO)[NH+]1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC000547606948 283788583 /nfs/dbraw/zinc/78/85/83/283788583.db2.gz GMENPRZXVZROCZ-GFCCVEGCSA-N 2 2 280.372 -0.122 20 0 CBADLP COC(=O)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000369266722 283830906 /nfs/dbraw/zinc/83/09/06/283830906.db2.gz BLSSXEHUSDJSDA-UHFFFAOYSA-N 2 2 272.345 -0.682 20 0 CBADLP C[C@@H](NC(=O)[C@H]1C[C@H](F)C[NH2+]1)[C@@H](C)[NH+]1CCOCC1 ZINC000188759590 296102429 /nfs/dbraw/zinc/10/24/29/296102429.db2.gz GSLFDVTUNGCKOE-WISYIIOYSA-N 2 2 273.352 -0.088 20 0 CBADLP C[C@H](NC(=O)CCc1c[nH+]cn1C)C(=O)NCC[NH+](C)C ZINC000552077311 283974656 /nfs/dbraw/zinc/97/46/56/283974656.db2.gz DIBSTMLBAZGFJE-NSHDSACASA-N 2 2 295.387 -0.465 20 0 CBADLP CCC[C@](C)([NH3+])C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000364254415 284004553 /nfs/dbraw/zinc/00/45/53/284004553.db2.gz PPSZPWYXLJQXRJ-AAEUAGOBSA-N 2 2 254.378 -0.380 20 0 CBADLP C[C@@](C[NH3+])([NH2+]CC(=O)NC[C@@H]1CCCO1)C1CC1 ZINC000576280306 335182296 /nfs/dbraw/zinc/18/22/96/335182296.db2.gz IVRIIVWUVJDILQ-AAEUAGOBSA-N 2 2 255.362 -0.001 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000574276376 335006045 /nfs/dbraw/zinc/00/60/45/335006045.db2.gz ZCDBTSNVZXBOKK-GFCCVEGCSA-N 2 2 298.431 -0.053 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000574276376 335006047 /nfs/dbraw/zinc/00/60/47/335006047.db2.gz ZCDBTSNVZXBOKK-GFCCVEGCSA-N 2 2 298.431 -0.053 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000330650632 203079846 /nfs/dbraw/zinc/07/98/46/203079846.db2.gz XMQFZXDVIQYGFM-ZDUSSCGKSA-N 2 2 298.431 -0.005 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000330650632 203079850 /nfs/dbraw/zinc/07/98/50/203079850.db2.gz XMQFZXDVIQYGFM-ZDUSSCGKSA-N 2 2 298.431 -0.005 20 0 CBADLP C[N@@H+]1CCN(C(=O)CNC(=O)C(C)(C)C)[C@H](C[NH3+])C1 ZINC000574320778 335009964 /nfs/dbraw/zinc/00/99/64/335009964.db2.gz FZCJSRYFCMSEIJ-SNVBAGLBSA-N 2 2 270.377 -0.750 20 0 CBADLP C[N@H+]1CCN(C(=O)CNC(=O)C(C)(C)C)[C@H](C[NH3+])C1 ZINC000574320778 335009965 /nfs/dbraw/zinc/00/99/65/335009965.db2.gz FZCJSRYFCMSEIJ-SNVBAGLBSA-N 2 2 270.377 -0.750 20 0 CBADLP O=C([C@H]1COCC[NH2+]1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000088372407 296138875 /nfs/dbraw/zinc/13/88/75/296138875.db2.gz WRKIRLFDLLXRMC-NWDGAFQWSA-N 2 2 253.346 -0.329 20 0 CBADLP C[C@H](C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)[NH+]1CCOCC1 ZINC000343649274 216860240 /nfs/dbraw/zinc/86/02/40/216860240.db2.gz WPFFRGKWZIZQNQ-KGLIPLIRSA-N 2 2 296.415 -0.787 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)C(=O)NCc1c[nH+]c[nH]1 ZINC000330817824 203273651 /nfs/dbraw/zinc/27/36/51/203273651.db2.gz PBTKSQYZIJBLAW-SNVBAGLBSA-N 2 2 252.318 -0.006 20 0 CBADLP CC(=O)[C@@](C)(O)C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000330827662 203284267 /nfs/dbraw/zinc/28/42/67/203284267.db2.gz GFDUOEFQNCDAHP-ZDUSSCGKSA-N 2 2 266.345 -0.118 20 0 CBADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC(CO)C2)CC1 ZINC000331814531 204193881 /nfs/dbraw/zinc/19/38/81/204193881.db2.gz AIABEVUXSOMMSZ-UHFFFAOYSA-N 2 2 284.404 -0.354 20 0 CBADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CC(=O)NC(N)=O)C1 ZINC000331853020 204232602 /nfs/dbraw/zinc/23/26/02/204232602.db2.gz HRBYDQOIZIETMR-NSHDSACASA-N 2 2 268.361 -0.155 20 0 CBADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CC(=O)NC(N)=O)C1 ZINC000331853020 204232605 /nfs/dbraw/zinc/23/26/05/204232605.db2.gz HRBYDQOIZIETMR-NSHDSACASA-N 2 2 268.361 -0.155 20 0 CBADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC000331853020 204232609 /nfs/dbraw/zinc/23/26/09/204232609.db2.gz HRBYDQOIZIETMR-NSHDSACASA-N 2 2 268.361 -0.155 20 0 CBADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC000331853020 204232612 /nfs/dbraw/zinc/23/26/12/204232612.db2.gz HRBYDQOIZIETMR-NSHDSACASA-N 2 2 268.361 -0.155 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCCC[NH+]1CCN(CCO)CC1 ZINC000344303844 217140944 /nfs/dbraw/zinc/14/09/44/217140944.db2.gz CMOZOPWLCUBHFD-HZPDHXFCSA-N 3 2 298.475 -0.084 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCC[NH+]1CCN(CCO)CC1 ZINC000344303844 217140945 /nfs/dbraw/zinc/14/09/45/217140945.db2.gz CMOZOPWLCUBHFD-HZPDHXFCSA-N 3 2 298.475 -0.084 20 0 CBADLP CC[NH+]1CCN(CCCNC(=O)[C@@H]2[NH2+]CCO[C@H]2C)CC1 ZINC000344310064 217144171 /nfs/dbraw/zinc/14/41/71/217144171.db2.gz HEHQGSBOLUAMPO-UONOGXRCSA-N 2 2 298.431 -0.493 20 0 CBADLP CCN1CC[NH+](CCCNC(=O)[C@@H]2[NH2+]CCO[C@H]2C)CC1 ZINC000344310064 217144173 /nfs/dbraw/zinc/14/41/73/217144173.db2.gz HEHQGSBOLUAMPO-UONOGXRCSA-N 2 2 298.431 -0.493 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1[NH2+]CCO[C@H]1C)C[NH+]1CCOCC1 ZINC000344431129 217189107 /nfs/dbraw/zinc/18/91/07/217189107.db2.gz CLKQEJCDGFPCOE-FRRDWIJNSA-N 2 2 285.388 -0.552 20 0 CBADLP CN(C)C(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000037819268 372758983 /nfs/dbraw/zinc/75/89/83/372758983.db2.gz UGCOJUUOXCYRQM-ZDUSSCGKSA-N 2 2 296.415 -0.392 20 0 CBADLP CN(C)C(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000037819268 372758997 /nfs/dbraw/zinc/75/89/97/372758997.db2.gz UGCOJUUOXCYRQM-ZDUSSCGKSA-N 2 2 296.415 -0.392 20 0 CBADLP CN(C)C(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000091545517 372773098 /nfs/dbraw/zinc/77/30/98/372773098.db2.gz TXBKZDKBTLWQAQ-STQMWFEESA-N 2 2 296.415 -0.264 20 0 CBADLP CN(C)C(=O)C[N@H+]1CCCN(C(=O)[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000091545517 372773106 /nfs/dbraw/zinc/77/31/06/372773106.db2.gz TXBKZDKBTLWQAQ-STQMWFEESA-N 2 2 296.415 -0.264 20 0 CBADLP CN(C)C(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000091545516 372773579 /nfs/dbraw/zinc/77/35/79/372773579.db2.gz TXBKZDKBTLWQAQ-OLZOCXBDSA-N 2 2 296.415 -0.264 20 0 CBADLP CN(C)C(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000091545516 372773585 /nfs/dbraw/zinc/77/35/85/372773585.db2.gz TXBKZDKBTLWQAQ-OLZOCXBDSA-N 2 2 296.415 -0.264 20 0 CBADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000333178718 205094486 /nfs/dbraw/zinc/09/44/86/205094486.db2.gz RTKISKFAGACGQQ-CYBMUJFWSA-N 2 2 277.328 -0.134 20 0 CBADLP C[C@@H]1CN(C(=O)C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C[C@H](C)O1 ZINC000107576134 372784328 /nfs/dbraw/zinc/78/43/28/372784328.db2.gz PXRUZGBODGRMIC-MPZDIEGVSA-N 2 2 267.373 -0.227 20 0 CBADLP C[C@@H]1CN(C(=O)C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C[C@H](C)O1 ZINC000107576134 372784336 /nfs/dbraw/zinc/78/43/36/372784336.db2.gz PXRUZGBODGRMIC-MPZDIEGVSA-N 2 2 267.373 -0.227 20 0 CBADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)N3CCNC(=O)C3)CC[C@@H]21 ZINC000158531454 372815215 /nfs/dbraw/zinc/81/52/15/372815215.db2.gz CPHRRSSBMMGGIK-OLZOCXBDSA-N 2 2 294.399 -0.639 20 0 CBADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)N3CCNC(=O)C3)CC[C@@H]21 ZINC000158531454 372815219 /nfs/dbraw/zinc/81/52/19/372815219.db2.gz CPHRRSSBMMGGIK-OLZOCXBDSA-N 2 2 294.399 -0.639 20 0 CBADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)N3CCNC(=O)C3)CC[C@@H]21 ZINC000158531454 372815224 /nfs/dbraw/zinc/81/52/24/372815224.db2.gz CPHRRSSBMMGGIK-OLZOCXBDSA-N 2 2 294.399 -0.639 20 0 CBADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)N3CCNC(=O)C3)CC[C@@H]21 ZINC000158531454 372815228 /nfs/dbraw/zinc/81/52/28/372815228.db2.gz CPHRRSSBMMGGIK-OLZOCXBDSA-N 2 2 294.399 -0.639 20 0 CBADLP COC(=O)CNC(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000158915534 372818080 /nfs/dbraw/zinc/81/80/80/372818080.db2.gz YYZGEVRDAJSXJD-RYUDHWBXSA-N 2 2 283.372 -0.308 20 0 CBADLP COC(=O)CNC(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000158915534 372818086 /nfs/dbraw/zinc/81/80/86/372818086.db2.gz YYZGEVRDAJSXJD-RYUDHWBXSA-N 2 2 283.372 -0.308 20 0 CBADLP COC(=O)CNC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000158915534 372818090 /nfs/dbraw/zinc/81/80/90/372818090.db2.gz YYZGEVRDAJSXJD-RYUDHWBXSA-N 2 2 283.372 -0.308 20 0 CBADLP COC(=O)CNC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000158915534 372818094 /nfs/dbraw/zinc/81/80/94/372818094.db2.gz YYZGEVRDAJSXJD-RYUDHWBXSA-N 2 2 283.372 -0.308 20 0 CBADLP CO[C@H](C[NH3+])C(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000353468590 220100282 /nfs/dbraw/zinc/10/02/82/220100282.db2.gz OUXAWPKODDUVEK-QJPTWQEYSA-N 2 2 271.361 -0.861 20 0 CBADLP CC[N@@H+]1CC[C@@H](CNC(=O)C[NH+](C)CC(=O)NC(C)C)C1 ZINC000344657392 217264257 /nfs/dbraw/zinc/26/42/57/217264257.db2.gz HUDHAFZIBNKAEP-ZDUSSCGKSA-N 2 2 298.431 -0.099 20 0 CBADLP CC[N@H+]1CC[C@@H](CNC(=O)C[NH+](C)CC(=O)NC(C)C)C1 ZINC000344657392 217264260 /nfs/dbraw/zinc/26/42/60/217264260.db2.gz HUDHAFZIBNKAEP-ZDUSSCGKSA-N 2 2 298.431 -0.099 20 0 CBADLP CC[NH+]1CC[C@@H](CNC(=O)C[N@H+](C)CC(=O)NC(C)C)C1 ZINC000344657392 217264265 /nfs/dbraw/zinc/26/42/65/217264265.db2.gz HUDHAFZIBNKAEP-ZDUSSCGKSA-N 2 2 298.431 -0.099 20 0 CBADLP CC[NH+]1CC[C@@H](CNC(=O)C[N@@H+](C)CC(=O)NC(C)C)C1 ZINC000344657392 217264268 /nfs/dbraw/zinc/26/42/68/217264268.db2.gz HUDHAFZIBNKAEP-ZDUSSCGKSA-N 2 2 298.431 -0.099 20 0 CBADLP CO[C@H](C[NH3+])C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000353476788 220105226 /nfs/dbraw/zinc/10/52/26/220105226.db2.gz ZGHJQYKAVCBRKQ-OUAUKWLOSA-N 2 2 259.350 -0.815 20 0 CBADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@@H]1CCCC[C@H]1O ZINC000252926504 372897507 /nfs/dbraw/zinc/89/75/07/372897507.db2.gz OAGZERUWBDPILP-CHWSQXEVSA-N 2 2 269.389 -0.004 20 0 CBADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)[C@@H]1CCCC[C@H]1O ZINC000252926504 372897522 /nfs/dbraw/zinc/89/75/22/372897522.db2.gz OAGZERUWBDPILP-CHWSQXEVSA-N 2 2 269.389 -0.004 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)NCCc2[nH]cc[nH+]2)C1 ZINC000353497232 220118679 /nfs/dbraw/zinc/11/86/79/220118679.db2.gz CIBNDNBAESCICZ-SNVBAGLBSA-N 2 2 252.318 -0.211 20 0 CBADLP CN1C(=O)NCC12CC[NH+](C[C@H](O)C[N@H+](C)C1CC1)CC2 ZINC000333327740 205222884 /nfs/dbraw/zinc/22/28/84/205222884.db2.gz AKJPIFSNNFQKDB-CYBMUJFWSA-N 2 2 296.415 -0.069 20 0 CBADLP CN1C(=O)NCC12CC[NH+](C[C@H](O)C[N@@H+](C)C1CC1)CC2 ZINC000333327740 205222889 /nfs/dbraw/zinc/22/28/89/205222889.db2.gz AKJPIFSNNFQKDB-CYBMUJFWSA-N 2 2 296.415 -0.069 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)NCCc2[nH]cc[nH+]2)C1 ZINC000353497232 220118681 /nfs/dbraw/zinc/11/86/81/220118681.db2.gz CIBNDNBAESCICZ-SNVBAGLBSA-N 2 2 252.318 -0.211 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C[C@@H]1COCC[NH2+]1 ZINC000262466297 372909664 /nfs/dbraw/zinc/90/96/64/372909664.db2.gz XWBHSTLSCAOMKD-NWDGAFQWSA-N 2 2 271.361 -0.798 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)C[C@@H]1COCC[NH2+]1 ZINC000262466297 372909669 /nfs/dbraw/zinc/90/96/69/372909669.db2.gz XWBHSTLSCAOMKD-NWDGAFQWSA-N 2 2 271.361 -0.798 20 0 CBADLP Cn1ncc2c1nc(N1CCN(c3[nH]cc[nH+]3)CC1)[nH+]c2N ZINC000290920134 372959521 /nfs/dbraw/zinc/95/95/21/372959521.db2.gz IBOJZMVDEYZUMD-UHFFFAOYSA-N 2 2 299.342 -0.005 20 0 CBADLP COCC[N@H+](C)CCNC(=O)NCc1c[nH+]cn1C ZINC000290686659 372959821 /nfs/dbraw/zinc/95/98/21/372959821.db2.gz JIRDKOMSAKXYCH-UHFFFAOYSA-N 2 2 269.349 -0.203 20 0 CBADLP COCC[N@@H+](C)CCNC(=O)NCc1c[nH+]cn1C ZINC000290686659 372959832 /nfs/dbraw/zinc/95/98/32/372959832.db2.gz JIRDKOMSAKXYCH-UHFFFAOYSA-N 2 2 269.349 -0.203 20 0 CBADLP CO[C@@H](C[NH3+])C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000353512892 220128614 /nfs/dbraw/zinc/12/86/14/220128614.db2.gz KMLIZDKYHHMUED-JTQLQIEISA-N 2 2 267.333 -0.972 20 0 CBADLP CNC(=O)NC(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000331684274 372999479 /nfs/dbraw/zinc/99/94/79/372999479.db2.gz RSKBRBSPUMKTEW-ZDUSSCGKSA-N 2 2 268.361 -0.140 20 0 CBADLP CNC(=O)NC(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000331684274 372999486 /nfs/dbraw/zinc/99/94/86/372999486.db2.gz RSKBRBSPUMKTEW-ZDUSSCGKSA-N 2 2 268.361 -0.140 20 0 CBADLP CNC(=O)NC(=O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000331684274 372999492 /nfs/dbraw/zinc/99/94/92/372999492.db2.gz RSKBRBSPUMKTEW-ZDUSSCGKSA-N 2 2 268.361 -0.140 20 0 CBADLP CNC(=O)NC(=O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000331684274 372999497 /nfs/dbraw/zinc/99/94/97/372999497.db2.gz RSKBRBSPUMKTEW-ZDUSSCGKSA-N 2 2 268.361 -0.140 20 0 CBADLP CC(=O)N1CCN(CC[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000343278452 373048904 /nfs/dbraw/zinc/04/89/04/373048904.db2.gz JXBVXWMDTFDIQX-OCCSQVGLSA-N 2 2 268.405 -0.310 20 0 CBADLP CC(=O)N1CCN(CC[NH2+][C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000343278452 373048908 /nfs/dbraw/zinc/04/89/08/373048908.db2.gz JXBVXWMDTFDIQX-OCCSQVGLSA-N 2 2 268.405 -0.310 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NCC(C)(C)[NH+](C)C ZINC000344815112 217318688 /nfs/dbraw/zinc/31/86/88/217318688.db2.gz MHFRWQPQJHIJHA-UHFFFAOYSA-N 2 2 286.420 -0.101 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NCC(C)(C)[NH+](C)C ZINC000344815112 217318690 /nfs/dbraw/zinc/31/86/90/217318690.db2.gz MHFRWQPQJHIJHA-UHFFFAOYSA-N 2 2 286.420 -0.101 20 0 CBADLP CNC(=O)C[C@H](C)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000341906111 373043259 /nfs/dbraw/zinc/04/32/59/373043259.db2.gz WSWWQVWUTBMIEA-QWRGUYRKSA-N 2 2 270.377 -0.560 20 0 CBADLP CNC(=O)C[C@H](C)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000341906111 373043268 /nfs/dbraw/zinc/04/32/68/373043268.db2.gz WSWWQVWUTBMIEA-QWRGUYRKSA-N 2 2 270.377 -0.560 20 0 CBADLP C[C@H](O)C[N@H+](C[C@H](O)C[NH+](C)C1CC1)[C@@H](C)CO ZINC000351624158 373097348 /nfs/dbraw/zinc/09/73/48/373097348.db2.gz WPXMJUIROLOTMJ-GMXVVIOVSA-N 2 2 260.378 -0.495 20 0 CBADLP C[C@H](O)C[N@@H+](C[C@H](O)C[NH+](C)C1CC1)[C@@H](C)CO ZINC000351624158 373097356 /nfs/dbraw/zinc/09/73/56/373097356.db2.gz WPXMJUIROLOTMJ-GMXVVIOVSA-N 2 2 260.378 -0.495 20 0 CBADLP C[C@H](O)C[NH+](C[C@H](O)C[N@H+](C)C1CC1)[C@@H](C)CO ZINC000351624158 373097362 /nfs/dbraw/zinc/09/73/62/373097362.db2.gz WPXMJUIROLOTMJ-GMXVVIOVSA-N 2 2 260.378 -0.495 20 0 CBADLP C[C@H](O)C[NH+](C[C@H](O)C[N@@H+](C)C1CC1)[C@@H](C)CO ZINC000351624158 373097367 /nfs/dbraw/zinc/09/73/67/373097367.db2.gz WPXMJUIROLOTMJ-GMXVVIOVSA-N 2 2 260.378 -0.495 20 0 CBADLP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)C1 ZINC000351862122 373100289 /nfs/dbraw/zinc/10/02/89/373100289.db2.gz NGXNGCREZDAQPM-DCAQKATOSA-N 2 2 270.377 -0.752 20 0 CBADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)C1 ZINC000351862122 373100297 /nfs/dbraw/zinc/10/02/97/373100297.db2.gz NGXNGCREZDAQPM-DCAQKATOSA-N 2 2 270.377 -0.752 20 0 CBADLP CC(C)N1CC[C@@H]([NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)C1=O ZINC000352519321 373105844 /nfs/dbraw/zinc/10/58/44/373105844.db2.gz NUHKLIWBXUZGBJ-ZIAGYGMSSA-N 2 2 280.416 -0.025 20 0 CBADLP CCC[C@H]([NH3+])C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000353175205 373110524 /nfs/dbraw/zinc/11/05/24/373110524.db2.gz RQXSFXFRKKSXOA-JTQLQIEISA-N 2 2 270.377 -0.478 20 0 CBADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](C[C@H](C)O)CC2)C1 ZINC000356469266 373164204 /nfs/dbraw/zinc/16/42/04/373164204.db2.gz XZLAAXZCTDLPJA-UONOGXRCSA-N 2 2 299.415 -0.379 20 0 CBADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](C[C@H](C)O)CC2)C1 ZINC000356469266 373164217 /nfs/dbraw/zinc/16/42/17/373164217.db2.gz XZLAAXZCTDLPJA-UONOGXRCSA-N 2 2 299.415 -0.379 20 0 CBADLP C[C@@H](CNC(=O)C[C@@H]1COCC[NH2+]1)CN1CC[NH+](C)CC1 ZINC000357249349 373168173 /nfs/dbraw/zinc/16/81/73/373168173.db2.gz SEIMIBBCWPACAT-UONOGXRCSA-N 2 2 298.431 -0.635 20 0 CBADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3OCC[NH+](C)[C@H]3C2)C1 ZINC000354930712 373120757 /nfs/dbraw/zinc/12/07/57/373120757.db2.gz NGFHECDLXNRPFT-MJBXVCDLSA-N 2 2 297.399 -0.363 20 0 CBADLP CC(C)[N@H+]1CCO[C@H](C(=O)N2C[C@H]3OCC[NH+](C)[C@H]3C2)C1 ZINC000354930712 373120758 /nfs/dbraw/zinc/12/07/58/373120758.db2.gz NGFHECDLXNRPFT-MJBXVCDLSA-N 2 2 297.399 -0.363 20 0 CBADLP CC(C)[NH+]1CCO[C@H](C(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)C1 ZINC000354930712 373120764 /nfs/dbraw/zinc/12/07/64/373120764.db2.gz NGFHECDLXNRPFT-MJBXVCDLSA-N 2 2 297.399 -0.363 20 0 CBADLP CC(C)[NH+]1CCO[C@H](C(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)C1 ZINC000354930712 373120767 /nfs/dbraw/zinc/12/07/67/373120767.db2.gz NGFHECDLXNRPFT-MJBXVCDLSA-N 2 2 297.399 -0.363 20 0 CBADLP C[C@H](C(=O)NCC[N@@H+]1CCOC[C@@H]1C)N1CC[NH+](C)CC1 ZINC000355703217 373148387 /nfs/dbraw/zinc/14/83/87/373148387.db2.gz XEXHGMMGBCWXOY-UONOGXRCSA-N 2 2 298.431 -0.541 20 0 CBADLP C[C@H](C(=O)NCC[N@H+]1CCOC[C@@H]1C)N1CC[NH+](C)CC1 ZINC000355703217 373148400 /nfs/dbraw/zinc/14/84/00/373148400.db2.gz XEXHGMMGBCWXOY-UONOGXRCSA-N 2 2 298.431 -0.541 20 0 CBADLP Cn1cc(C[N@@H+]2CCCN(C(=O)C3([NH3+])CC3)CC2)cn1 ZINC000353576368 220166801 /nfs/dbraw/zinc/16/68/01/220166801.db2.gz FTGGKIYCGWZQDB-UHFFFAOYSA-N 2 2 277.372 -0.054 20 0 CBADLP Cn1cc(C[N@H+]2CCCN(C(=O)C3([NH3+])CC3)CC2)cn1 ZINC000353576368 220166805 /nfs/dbraw/zinc/16/68/05/220166805.db2.gz FTGGKIYCGWZQDB-UHFFFAOYSA-N 2 2 277.372 -0.054 20 0 CBADLP COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360566082 373209743 /nfs/dbraw/zinc/20/97/43/373209743.db2.gz XDOUUAJYEVIFER-FZMZJTMJSA-N 2 2 298.387 -0.468 20 0 CBADLP COC[C@H](C)NC(=O)NC(=O)C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360566082 373209751 /nfs/dbraw/zinc/20/97/51/373209751.db2.gz XDOUUAJYEVIFER-FZMZJTMJSA-N 2 2 298.387 -0.468 20 0 CBADLP O[C@@H]1COC[C@H]1[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000361301486 373274412 /nfs/dbraw/zinc/27/44/12/373274412.db2.gz WYRUTDUEDLUBAY-MGPQQGTHSA-N 2 2 270.373 -0.210 20 0 CBADLP O[C@@H]1COC[C@H]1[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000361301486 373274422 /nfs/dbraw/zinc/27/44/22/373274422.db2.gz WYRUTDUEDLUBAY-MGPQQGTHSA-N 2 2 270.373 -0.210 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C1CC[NH2+]CC1 ZINC000353581261 220172502 /nfs/dbraw/zinc/17/25/02/220172502.db2.gz WMMYXFHREYBVOS-LLVKDONJSA-N 2 2 255.362 -0.177 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C1CC[NH2+]CC1 ZINC000353581261 220172505 /nfs/dbraw/zinc/17/25/05/220172505.db2.gz WMMYXFHREYBVOS-LLVKDONJSA-N 2 2 255.362 -0.177 20 0 CBADLP C[NH+](C)CCNC(=O)c1cnn(CC[NH+]2CCOCC2)c1 ZINC000360758916 373233975 /nfs/dbraw/zinc/23/39/75/373233975.db2.gz KGHXREKGAKFSAD-UHFFFAOYSA-N 2 2 295.387 -0.493 20 0 CBADLP C[C@H](C(=O)N1CC[C@]2(CC[NH2+]C2)C1)[NH+]1CCOCC1 ZINC000360833716 373239389 /nfs/dbraw/zinc/23/93/89/373239389.db2.gz NQRFBPLMCJKRFB-OCCSQVGLSA-N 2 2 267.373 -0.081 20 0 CBADLP COCC[C@@]1(C(=O)NC[C@@H](C)[NH+]2CCOCC2)CC[NH2+]C1 ZINC000361723852 373330567 /nfs/dbraw/zinc/33/05/67/373330567.db2.gz ZFIPHDMVSDXEMQ-HIFRSBDPSA-N 2 2 299.415 -0.161 20 0 CBADLP C[NH+](C)CC(=O)N1CC[NH+]([C@@H]2CCN(C3CC3)C2=O)CC1 ZINC000362159615 373374076 /nfs/dbraw/zinc/37/40/76/373374076.db2.gz WARJPJBPKMNBDU-CYBMUJFWSA-N 2 2 294.399 -0.545 20 0 CBADLP C[C@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)C[C@@H]1CO ZINC000362060553 373362134 /nfs/dbraw/zinc/36/21/34/373362134.db2.gz YWMLOIZHHGOGNY-NWDGAFQWSA-N 2 2 255.362 -0.679 20 0 CBADLP C[C@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)C[C@@H]1CO ZINC000362060553 373362139 /nfs/dbraw/zinc/36/21/39/373362139.db2.gz YWMLOIZHHGOGNY-NWDGAFQWSA-N 2 2 255.362 -0.679 20 0 CBADLP CCC[N@H+](C)CC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000344995962 217381126 /nfs/dbraw/zinc/38/11/26/217381126.db2.gz CGAUUYADKJDNPR-CYBMUJFWSA-N 2 2 287.404 -0.520 20 0 CBADLP CCC[N@@H+](C)CC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000344995962 217381129 /nfs/dbraw/zinc/38/11/29/217381129.db2.gz CGAUUYADKJDNPR-CYBMUJFWSA-N 2 2 287.404 -0.520 20 0 CBADLP CC(C)CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000050247949 220194774 /nfs/dbraw/zinc/19/47/74/220194774.db2.gz OBBBUQQOWMAYRS-JTQLQIEISA-N 2 2 256.350 -0.251 20 0 CBADLP CC(C)CNC(=O)NC(=O)C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000050247949 220194777 /nfs/dbraw/zinc/19/47/77/220194777.db2.gz OBBBUQQOWMAYRS-JTQLQIEISA-N 2 2 256.350 -0.251 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H]3CCC(=O)N3)C2)CC1 ZINC000362710078 373440032 /nfs/dbraw/zinc/44/00/32/373440032.db2.gz HLAUNNJZRXIFSR-DGCLKSJQSA-N 2 2 294.399 -0.450 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@H]3CCC(=O)N3)C2)CC1 ZINC000362710078 373440036 /nfs/dbraw/zinc/44/00/36/373440036.db2.gz HLAUNNJZRXIFSR-DGCLKSJQSA-N 2 2 294.399 -0.450 20 0 CBADLP CCOCC[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362826076 373452545 /nfs/dbraw/zinc/45/25/45/373452545.db2.gz LICKVCODXWOYIN-GFCCVEGCSA-N 2 2 255.362 -0.081 20 0 CBADLP CCOCC[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362826076 373452554 /nfs/dbraw/zinc/45/25/54/373452554.db2.gz LICKVCODXWOYIN-GFCCVEGCSA-N 2 2 255.362 -0.081 20 0 CBADLP Cn1cc(CC[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cn1 ZINC000362829779 373452977 /nfs/dbraw/zinc/45/29/77/373452977.db2.gz HTSDJBDJWCSWFX-CQSZACIVSA-N 2 2 291.399 -0.141 20 0 CBADLP Cn1cc(CC[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cn1 ZINC000362829779 373452985 /nfs/dbraw/zinc/45/29/85/373452985.db2.gz HTSDJBDJWCSWFX-CQSZACIVSA-N 2 2 291.399 -0.141 20 0 CBADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](CCn2cccn2)C1 ZINC000362824708 373453696 /nfs/dbraw/zinc/45/36/96/373453696.db2.gz BHVMRCCUPFHAST-ZDUSSCGKSA-N 2 2 277.372 -0.221 20 0 CBADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](CCn2cccn2)C1 ZINC000362824708 373453706 /nfs/dbraw/zinc/45/37/06/373453706.db2.gz BHVMRCCUPFHAST-ZDUSSCGKSA-N 2 2 277.372 -0.221 20 0 CBADLP CCCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362836623 373453820 /nfs/dbraw/zinc/45/38/20/373453820.db2.gz IBAZZNBPVQBHSZ-QWHCGFSZSA-N 2 2 296.415 -0.203 20 0 CBADLP CCCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362836623 373453827 /nfs/dbraw/zinc/45/38/27/373453827.db2.gz IBAZZNBPVQBHSZ-QWHCGFSZSA-N 2 2 296.415 -0.203 20 0 CBADLP O=C(C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1)N1CCNC1=O ZINC000363414542 373490656 /nfs/dbraw/zinc/49/06/56/373490656.db2.gz OKPUNSASFSSDHL-UPJWGTAASA-N 2 2 292.383 -0.046 20 0 CBADLP O=C(C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1)N1CCNC1=O ZINC000363414542 373490667 /nfs/dbraw/zinc/49/06/67/373490667.db2.gz OKPUNSASFSSDHL-UPJWGTAASA-N 2 2 292.383 -0.046 20 0 CBADLP O=C(C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1)N1CCNC1=O ZINC000363414542 373490673 /nfs/dbraw/zinc/49/06/73/373490673.db2.gz OKPUNSASFSSDHL-UPJWGTAASA-N 2 2 292.383 -0.046 20 0 CBADLP O=C(C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1)N1CCNC1=O ZINC000363414542 373490679 /nfs/dbraw/zinc/49/06/79/373490679.db2.gz OKPUNSASFSSDHL-UPJWGTAASA-N 2 2 292.383 -0.046 20 0 CBADLP COC(=O)CNC(=O)C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363631150 373501474 /nfs/dbraw/zinc/50/14/74/373501474.db2.gz HBPJGDAZQYYGRV-JHJVBQTASA-N 2 2 295.383 -0.308 20 0 CBADLP COC(=O)CNC(=O)C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363631150 373501481 /nfs/dbraw/zinc/50/14/81/373501481.db2.gz HBPJGDAZQYYGRV-JHJVBQTASA-N 2 2 295.383 -0.308 20 0 CBADLP COC(=O)CNC(=O)C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363631150 373501487 /nfs/dbraw/zinc/50/14/87/373501487.db2.gz HBPJGDAZQYYGRV-JHJVBQTASA-N 2 2 295.383 -0.308 20 0 CBADLP COC(=O)CNC(=O)C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363631150 373501492 /nfs/dbraw/zinc/50/14/92/373501492.db2.gz HBPJGDAZQYYGRV-JHJVBQTASA-N 2 2 295.383 -0.308 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000366472351 373529604 /nfs/dbraw/zinc/52/96/04/373529604.db2.gz GBMKTHIFVGFHFZ-CHWSQXEVSA-N 2 2 283.372 -0.750 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000366472351 373529609 /nfs/dbraw/zinc/52/96/09/373529609.db2.gz GBMKTHIFVGFHFZ-CHWSQXEVSA-N 2 2 283.372 -0.750 20 0 CBADLP C[C@H]1C[C@@H](C(=O)NC[C@@H]2C[NH+]3CCN2CC3)CC[NH2+]1 ZINC000373561475 373559727 /nfs/dbraw/zinc/55/97/27/373559727.db2.gz JHEMVSWDLNTFOM-RWMBFGLXSA-N 2 2 266.389 -0.510 20 0 CBADLP C[C@H]([NH3+])C(=O)N1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000378213234 373577419 /nfs/dbraw/zinc/57/74/19/373577419.db2.gz YQJUNLWOBGJGPL-WDEREUQCSA-N 2 2 268.361 -0.854 20 0 CBADLP COCCC[N@@H+]1CCCN(C(=O)[C@H]2COCC[NH2+]2)CC1 ZINC000378206706 373578435 /nfs/dbraw/zinc/57/84/35/373578435.db2.gz QDHCTTSFSZFQEJ-CYBMUJFWSA-N 2 2 285.388 -0.454 20 0 CBADLP COCCC[N@H+]1CCCN(C(=O)[C@H]2COCC[NH2+]2)CC1 ZINC000378206706 373578442 /nfs/dbraw/zinc/57/84/42/373578442.db2.gz QDHCTTSFSZFQEJ-CYBMUJFWSA-N 2 2 285.388 -0.454 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@@H]1C[NH3+] ZINC000417018080 373624424 /nfs/dbraw/zinc/62/44/24/373624424.db2.gz FBCBHMBYAIQZKC-NWDGAFQWSA-N 2 2 270.377 -0.160 20 0 CBADLP CC(=O)N1CCN(CC[NH2+][C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000422867352 373653466 /nfs/dbraw/zinc/65/34/66/373653466.db2.gz RYQOCEIOQOBXGQ-JSGCOSHPSA-N 2 2 268.405 -0.262 20 0 CBADLP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000423352227 373656671 /nfs/dbraw/zinc/65/66/71/373656671.db2.gz AAFKDACDPFNTBV-QWHCGFSZSA-N 2 2 296.415 -0.395 20 0 CBADLP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000423352227 373656679 /nfs/dbraw/zinc/65/66/79/373656679.db2.gz AAFKDACDPFNTBV-QWHCGFSZSA-N 2 2 296.415 -0.395 20 0 CBADLP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[NH2+][C@H](C)C2)CC[N@@H+]1C ZINC000423373564 373656857 /nfs/dbraw/zinc/65/68/57/373656857.db2.gz HJQIVVYYDJSRGE-CHWSQXEVSA-N 2 2 296.415 -0.395 20 0 CBADLP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[NH2+][C@H](C)C2)CC[N@H+]1C ZINC000423373564 373656866 /nfs/dbraw/zinc/65/68/66/373656866.db2.gz HJQIVVYYDJSRGE-CHWSQXEVSA-N 2 2 296.415 -0.395 20 0 CBADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493458928 373715350 /nfs/dbraw/zinc/71/53/50/373715350.db2.gz KZSGTUPNWYFCSQ-PGLGOXFNSA-N 2 2 263.345 -0.215 20 0 CBADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493458928 373715355 /nfs/dbraw/zinc/71/53/55/373715355.db2.gz KZSGTUPNWYFCSQ-PGLGOXFNSA-N 2 2 263.345 -0.215 20 0 CBADLP CN1CC[N@H+](C)[C@H](CNC(=O)N[C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000424459680 373665926 /nfs/dbraw/zinc/66/59/26/373665926.db2.gz HDUSYEUYFQCHBQ-JHJVBQTASA-N 2 2 283.420 -0.199 20 0 CBADLP CN1CC[N@@H+](C)[C@H](CNC(=O)N[C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000424459680 373665933 /nfs/dbraw/zinc/66/59/33/373665933.db2.gz HDUSYEUYFQCHBQ-JHJVBQTASA-N 2 2 283.420 -0.199 20 0 CBADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)NCC(=O)N2CCCC2)C1 ZINC000430571148 373672647 /nfs/dbraw/zinc/67/26/47/373672647.db2.gz LJJXAOIYXJBRQG-OLZOCXBDSA-N 2 2 296.415 -0.216 20 0 CBADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)NCC(=O)N2CCCC2)C1 ZINC000430571148 373672657 /nfs/dbraw/zinc/67/26/57/373672657.db2.gz LJJXAOIYXJBRQG-OLZOCXBDSA-N 2 2 296.415 -0.216 20 0 CBADLP CCOC[C@@H](O)C[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000353649462 220226914 /nfs/dbraw/zinc/22/69/14/220226914.db2.gz XLCZQPSDVJKEMM-LBPRGKRZSA-N 2 2 268.361 -0.075 20 0 CBADLP CCn1cc[nH+]c1/C=C/C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000493818274 373730887 /nfs/dbraw/zinc/73/08/87/373730887.db2.gz SGWRZOQIUULXOL-ZYOFXKKJSA-N 2 2 277.372 -0.064 20 0 CBADLP CCn1cc[nH+]c1/C=C/C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000493818271 373731087 /nfs/dbraw/zinc/73/10/87/373731087.db2.gz SGWRZOQIUULXOL-ITKZLYELSA-N 2 2 277.372 -0.064 20 0 CBADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCC(=O)NC(N)=O)C1 ZINC000514742252 373763529 /nfs/dbraw/zinc/76/35/29/373763529.db2.gz QUYKEHNQHOROKB-VIFPVBQESA-N 2 2 265.317 -0.206 20 0 CBADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCC(=O)NC(N)=O)C1 ZINC000514742252 373763535 /nfs/dbraw/zinc/76/35/35/373763535.db2.gz QUYKEHNQHOROKB-VIFPVBQESA-N 2 2 265.317 -0.206 20 0 CBADLP COC(=O)c1coc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c1 ZINC000514872883 373769657 /nfs/dbraw/zinc/76/96/57/373769657.db2.gz IQGBSRRBYIZBAX-PWSUYJOCSA-N 2 2 293.323 -0.190 20 0 CBADLP COC(=O)c1coc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c1 ZINC000514872883 373769664 /nfs/dbraw/zinc/76/96/64/373769664.db2.gz IQGBSRRBYIZBAX-PWSUYJOCSA-N 2 2 293.323 -0.190 20 0 CBADLP COC(=O)c1cn([C@H]2CC[N@H+](C[C@@H](C)[NH3+])C2)nn1 ZINC000516292970 373810253 /nfs/dbraw/zinc/81/02/53/373810253.db2.gz QDQQJJLZKHTBIF-BDAKNGLRSA-N 2 2 253.306 -0.341 20 0 CBADLP COC(=O)c1cn([C@H]2CC[N@@H+](C[C@@H](C)[NH3+])C2)nn1 ZINC000516292970 373810262 /nfs/dbraw/zinc/81/02/62/373810262.db2.gz QDQQJJLZKHTBIF-BDAKNGLRSA-N 2 2 253.306 -0.341 20 0 CBADLP CC[C@H]([NH2+]CC(=O)N1CC[NH2+]CC1)[C@@H]1CCC[NH2+]1 ZINC000515345960 373783811 /nfs/dbraw/zinc/78/38/11/373783811.db2.gz COMMCTWDRVQZHO-RYUDHWBXSA-N 3 2 254.378 -0.462 20 0 CBADLP C[N@@H+]1CCN(C(=O)C2CC[NH+](C3CC3)CC2)[C@@H](C[NH3+])C1 ZINC000515381533 373786190 /nfs/dbraw/zinc/78/61/90/373786190.db2.gz SGMRYLMEOWLXAC-AWEZNQCLSA-N 3 2 280.416 -0.038 20 0 CBADLP C[N@H+]1CCN(C(=O)C2CC[NH+](C3CC3)CC2)[C@@H](C[NH3+])C1 ZINC000515381533 373786198 /nfs/dbraw/zinc/78/61/98/373786198.db2.gz SGMRYLMEOWLXAC-AWEZNQCLSA-N 3 2 280.416 -0.038 20 0 CBADLP COC(=O)CCCCC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000515646320 373793196 /nfs/dbraw/zinc/79/31/96/373793196.db2.gz YXFUHHSKCUDCIN-LLVKDONJSA-N 2 2 271.361 -0.179 20 0 CBADLP COC(=O)CCCCC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000515646320 373793201 /nfs/dbraw/zinc/79/32/01/373793201.db2.gz YXFUHHSKCUDCIN-LLVKDONJSA-N 2 2 271.361 -0.179 20 0 CBADLP CC(C)[C@H](C)NC(=O)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000521462533 373843675 /nfs/dbraw/zinc/84/36/75/373843675.db2.gz KQGFPWBJNYBELX-TUAOUCFPSA-N 2 2 282.388 -0.609 20 0 CBADLP CC(C)[C@H](C)NC(=O)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000521462533 373843685 /nfs/dbraw/zinc/84/36/85/373843685.db2.gz KQGFPWBJNYBELX-TUAOUCFPSA-N 2 2 282.388 -0.609 20 0 CBADLP C[NH+](C)CCN1CC[N@H+](C[C@@H](O)CC2(O)CCC2)CC1=O ZINC000528533168 373957761 /nfs/dbraw/zinc/95/77/61/373957761.db2.gz GSWFTUFZVGDOID-ZDUSSCGKSA-N 2 2 299.415 -0.642 20 0 CBADLP C[NH+](C)CCN1CC[N@@H+](C[C@@H](O)CC2(O)CCC2)CC1=O ZINC000528533168 373957765 /nfs/dbraw/zinc/95/77/65/373957765.db2.gz GSWFTUFZVGDOID-ZDUSSCGKSA-N 2 2 299.415 -0.642 20 0 CBADLP CC(C)N1CCC[C@H]([N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C1=O ZINC000574465348 335022354 /nfs/dbraw/zinc/02/23/54/335022354.db2.gz KZHPQDSHKLMXEE-XQQFMLRXSA-N 2 2 294.399 -0.370 20 0 CBADLP CC(C)N1CCC[C@H]([N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C1=O ZINC000574465348 335022356 /nfs/dbraw/zinc/02/23/56/335022356.db2.gz KZHPQDSHKLMXEE-XQQFMLRXSA-N 2 2 294.399 -0.370 20 0 CBADLP CN(C)c1[nH+]cccc1CNC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000529290873 373996855 /nfs/dbraw/zinc/99/68/55/373996855.db2.gz FIMJHXXHBMZZCT-GFCCVEGCSA-N 2 2 293.371 -0.065 20 0 CBADLP O=C(NC[C@H]1COCC[NH2+]1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000529326058 374002828 /nfs/dbraw/zinc/00/28/28/374002828.db2.gz KJAIBWFYOPTSKX-UWVGGRQHSA-N 2 2 279.344 -0.445 20 0 CBADLP O=C(NC[C@H]1COCC[NH2+]1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000529326058 374002836 /nfs/dbraw/zinc/00/28/36/374002836.db2.gz KJAIBWFYOPTSKX-UWVGGRQHSA-N 2 2 279.344 -0.445 20 0 CBADLP C[N@@H+]1CCN(C(=O)NCC23CC(C2)CO3)[C@@H](C[NH3+])C1 ZINC000529371155 374013381 /nfs/dbraw/zinc/01/33/81/374013381.db2.gz WKAZSJBXOPWHEO-AKJDGMEZSA-N 2 2 268.361 -0.550 20 0 CBADLP C[N@H+]1CCN(C(=O)NCC23CC(C2)CO3)[C@@H](C[NH3+])C1 ZINC000529371155 374013392 /nfs/dbraw/zinc/01/33/92/374013392.db2.gz WKAZSJBXOPWHEO-AKJDGMEZSA-N 2 2 268.361 -0.550 20 0 CBADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000529376248 374017342 /nfs/dbraw/zinc/01/73/42/374017342.db2.gz MLNUDOFEYYCXOB-NWDGAFQWSA-N 2 2 293.371 -0.093 20 0 CBADLP CNC(=O)NC[C@H]1C[N@H+](CCCn2cc[nH+]c2)CCO1 ZINC000528623402 373967318 /nfs/dbraw/zinc/96/73/18/373967318.db2.gz KLUKKCWOBSDLCA-LBPRGKRZSA-N 2 2 281.360 -0.097 20 0 CBADLP CNC(=O)NC[C@H]1C[N@@H+](CCCn2cc[nH+]c2)CCO1 ZINC000528623402 373967327 /nfs/dbraw/zinc/96/73/27/373967327.db2.gz KLUKKCWOBSDLCA-LBPRGKRZSA-N 2 2 281.360 -0.097 20 0 CBADLP Cc1c[nH+]ccc1NC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000528684411 373973804 /nfs/dbraw/zinc/97/38/04/373973804.db2.gz DJPZYBVKYWJNQT-SNVBAGLBSA-N 2 2 250.302 -0.078 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1C(=O)N(C)C ZINC000528681904 373975349 /nfs/dbraw/zinc/97/53/49/373975349.db2.gz GOZQNRKIYNNALP-NEPJUHHUSA-N 2 2 257.378 -0.148 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1C(=O)N(C)C ZINC000528681904 373975355 /nfs/dbraw/zinc/97/53/55/373975355.db2.gz GOZQNRKIYNNALP-NEPJUHHUSA-N 2 2 257.378 -0.148 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000528681904 373975359 /nfs/dbraw/zinc/97/53/59/373975359.db2.gz GOZQNRKIYNNALP-NEPJUHHUSA-N 2 2 257.378 -0.148 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000528681904 373975364 /nfs/dbraw/zinc/97/53/64/373975364.db2.gz GOZQNRKIYNNALP-NEPJUHHUSA-N 2 2 257.378 -0.148 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2C[C@](C)(CO)[C@](C)(CO)C2)CC1 ZINC000528747263 373979956 /nfs/dbraw/zinc/97/99/56/373979956.db2.gz HJDCKMLLWFNEFQ-GASCZTMLSA-N 2 2 299.415 -0.927 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2C[C@](C)(CO)[C@](C)(CO)C2)CC1 ZINC000528747263 373979959 /nfs/dbraw/zinc/97/99/59/373979959.db2.gz HJDCKMLLWFNEFQ-GASCZTMLSA-N 2 2 299.415 -0.927 20 0 CBADLP C[N@H+](C[C@H](O)C[NH+]1C[C@](C)(CO)[C@](C)(CO)C1)C1CC1 ZINC000528755320 373983827 /nfs/dbraw/zinc/98/38/27/373983827.db2.gz QEIAQUNSSRLRKI-SOUVJXGZSA-N 2 2 286.416 -0.246 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH+]1C[C@](C)(CO)[C@](C)(CO)C1)C1CC1 ZINC000528755320 373983831 /nfs/dbraw/zinc/98/38/31/373983831.db2.gz QEIAQUNSSRLRKI-SOUVJXGZSA-N 2 2 286.416 -0.246 20 0 CBADLP C[NH+](C[C@H](O)C[N@H+]1C[C@](C)(CO)[C@](C)(CO)C1)C1CC1 ZINC000528755320 373983839 /nfs/dbraw/zinc/98/38/39/373983839.db2.gz QEIAQUNSSRLRKI-SOUVJXGZSA-N 2 2 286.416 -0.246 20 0 CBADLP C[NH+](C[C@H](O)C[N@@H+]1C[C@](C)(CO)[C@](C)(CO)C1)C1CC1 ZINC000528755320 373983841 /nfs/dbraw/zinc/98/38/41/373983841.db2.gz QEIAQUNSSRLRKI-SOUVJXGZSA-N 2 2 286.416 -0.246 20 0 CBADLP COCC[NH+]1CCC([NH2+]C[C@H]2COCCN2)CC1 ZINC000530181346 374064731 /nfs/dbraw/zinc/06/47/31/374064731.db2.gz MLGHGFSHCHRQIW-ZDUSSCGKSA-N 2 2 257.378 -0.325 20 0 CBADLP COCC[NH+]1CCC(NC[C@H]2COCC[NH2+]2)CC1 ZINC000530181346 374064732 /nfs/dbraw/zinc/06/47/32/374064732.db2.gz MLGHGFSHCHRQIW-ZDUSSCGKSA-N 2 2 257.378 -0.325 20 0 CBADLP CNC(=O)NC[C@@H]1C[N@H+](C[C@H]2CCC[NH2+]C2)CCO1 ZINC000530232346 374069165 /nfs/dbraw/zinc/06/91/65/374069165.db2.gz YMRSRTHFHBKXKA-NWDGAFQWSA-N 2 2 270.377 -0.384 20 0 CBADLP CNC(=O)NC[C@@H]1C[N@@H+](C[C@H]2CCC[NH2+]C2)CCO1 ZINC000530232346 374069172 /nfs/dbraw/zinc/06/91/72/374069172.db2.gz YMRSRTHFHBKXKA-NWDGAFQWSA-N 2 2 270.377 -0.384 20 0 CBADLP C[N@@H+]1CC[C@H](C(=O)N2CC[NH+](CCn3cncn3)CC2)C1 ZINC000530676014 374094072 /nfs/dbraw/zinc/09/40/72/374094072.db2.gz KTCGMFHFRVQPSO-ZDUSSCGKSA-N 2 2 292.387 -0.626 20 0 CBADLP C[N@H+]1CC[C@H](C(=O)N2CC[NH+](CCn3cncn3)CC2)C1 ZINC000530676014 374094077 /nfs/dbraw/zinc/09/40/77/374094077.db2.gz KTCGMFHFRVQPSO-ZDUSSCGKSA-N 2 2 292.387 -0.626 20 0 CBADLP C[N@@H+]1CC[C@@H](C(=O)N2CC[NH+](CCn3cncn3)CC2)C1 ZINC000530676010 374094236 /nfs/dbraw/zinc/09/42/36/374094236.db2.gz KTCGMFHFRVQPSO-CYBMUJFWSA-N 2 2 292.387 -0.626 20 0 CBADLP C[N@H+]1CC[C@@H](C(=O)N2CC[NH+](CCn3cncn3)CC2)C1 ZINC000530676010 374094240 /nfs/dbraw/zinc/09/42/40/374094240.db2.gz KTCGMFHFRVQPSO-CYBMUJFWSA-N 2 2 292.387 -0.626 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC(n3cc[nH+]c3)C2)C1 ZINC000530824163 374100258 /nfs/dbraw/zinc/10/02/58/374100258.db2.gz ACCTYBVEGIGVKQ-LBPRGKRZSA-N 2 2 264.329 -0.013 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)N2CC(n3cc[nH+]c3)C2)C1 ZINC000530824163 374100266 /nfs/dbraw/zinc/10/02/66/374100266.db2.gz ACCTYBVEGIGVKQ-LBPRGKRZSA-N 2 2 264.329 -0.013 20 0 CBADLP C[NH+]1CCN(C(=O)CCNC(=O)NCC[NH+]2CCC2)CC1 ZINC000533107264 374184442 /nfs/dbraw/zinc/18/44/42/374184442.db2.gz NJVNZAUWAMPWJC-UHFFFAOYSA-N 2 2 297.403 -0.845 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+](CC(N)=O)C(C)(C)C ZINC000562441883 374316145 /nfs/dbraw/zinc/31/61/45/374316145.db2.gz FKWDQCVCLGXKHO-LLVKDONJSA-N 2 2 275.393 -0.489 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](CC(N)=O)C(C)(C)C ZINC000562441883 374316150 /nfs/dbraw/zinc/31/61/50/374316150.db2.gz FKWDQCVCLGXKHO-LLVKDONJSA-N 2 2 275.393 -0.489 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+](CC(N)=O)C(C)(C)C ZINC000562441883 374316156 /nfs/dbraw/zinc/31/61/56/374316156.db2.gz FKWDQCVCLGXKHO-LLVKDONJSA-N 2 2 275.393 -0.489 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](CC(N)=O)C(C)(C)C ZINC000562441883 374316161 /nfs/dbraw/zinc/31/61/61/374316161.db2.gz FKWDQCVCLGXKHO-LLVKDONJSA-N 2 2 275.393 -0.489 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1C(=O)NC1CC1 ZINC000562477297 374319595 /nfs/dbraw/zinc/31/95/95/374319595.db2.gz GPGXITKSZUORNM-KGLIPLIRSA-N 2 2 299.415 -0.332 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1C(=O)NC1CC1 ZINC000562477297 374319603 /nfs/dbraw/zinc/31/96/03/374319603.db2.gz GPGXITKSZUORNM-KGLIPLIRSA-N 2 2 299.415 -0.332 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H]1C(=O)NC1CC1 ZINC000562477297 374319606 /nfs/dbraw/zinc/31/96/06/374319606.db2.gz GPGXITKSZUORNM-KGLIPLIRSA-N 2 2 299.415 -0.332 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H]1C(=O)NC1CC1 ZINC000562477297 374319612 /nfs/dbraw/zinc/31/96/12/374319612.db2.gz GPGXITKSZUORNM-KGLIPLIRSA-N 2 2 299.415 -0.332 20 0 CBADLP CCn1cc[nH+]c1CN1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000566491743 374330526 /nfs/dbraw/zinc/33/05/26/374330526.db2.gz XKCDKUBPAAVTDD-QWRGUYRKSA-N 2 2 263.345 -0.353 20 0 CBADLP CC[N@H+](C)C[C@H](O)CN1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000566686198 374332496 /nfs/dbraw/zinc/33/24/96/374332496.db2.gz DABPNORFXWFPBL-HNNXBMFYSA-N 2 2 295.431 -0.150 20 0 CBADLP CC[N@@H+](C)C[C@H](O)CN1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000566686198 374332502 /nfs/dbraw/zinc/33/25/02/374332502.db2.gz DABPNORFXWFPBL-HNNXBMFYSA-N 2 2 295.431 -0.150 20 0 CBADLP C[C@H](C(=O)NCC[C@H]1CC[NH2+]C1)[NH+]1CCN(C)CC1 ZINC000577850996 374339970 /nfs/dbraw/zinc/33/99/70/374339970.db2.gz WVIVUBKBPDUUMM-CHWSQXEVSA-N 2 2 268.405 -0.262 20 0 CBADLP CNC(=O)NC(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000583322597 374361150 /nfs/dbraw/zinc/36/11/50/374361150.db2.gz POHMXZHZZFRHKY-GFCCVEGCSA-N 2 2 254.334 -0.483 20 0 CBADLP CNC(=O)NC(=O)C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000583322597 374361156 /nfs/dbraw/zinc/36/11/56/374361156.db2.gz POHMXZHZZFRHKY-GFCCVEGCSA-N 2 2 254.334 -0.483 20 0 CBADLP CC(C)CCNC(=O)[C@H](C)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000584422452 374372338 /nfs/dbraw/zinc/37/23/38/374372338.db2.gz XPFULNGGOCRSFU-RWMBFGLXSA-N 2 2 296.415 -0.219 20 0 CBADLP CC(C)CCNC(=O)[C@H](C)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000584422452 374372353 /nfs/dbraw/zinc/37/23/53/374372353.db2.gz XPFULNGGOCRSFU-RWMBFGLXSA-N 2 2 296.415 -0.219 20 0 CBADLP O=C1NCCN1CC[NH2+][C@@H]1CCC[C@@H]1[N@@H+]1CC[C@H](O)C1 ZINC000643959658 374461792 /nfs/dbraw/zinc/46/17/92/374461792.db2.gz BJLFKZPVXFZRCT-XQQFMLRXSA-N 2 2 282.388 -0.411 20 0 CBADLP O=C1NCCN1CC[NH2+][C@@H]1CCC[C@@H]1[N@H+]1CC[C@H](O)C1 ZINC000643959658 374461801 /nfs/dbraw/zinc/46/18/01/374461801.db2.gz BJLFKZPVXFZRCT-XQQFMLRXSA-N 2 2 282.388 -0.411 20 0 CBADLP CC(C)[N@H+](C)C[C@H](C)NC[C@@H](O)CN1CC[NH+](C)CC1 ZINC000574513599 335025056 /nfs/dbraw/zinc/02/50/56/335025056.db2.gz YKSZYNAJWKVIEP-LSDHHAIUSA-N 2 2 286.464 -0.087 20 0 CBADLP CN1CC[NH+](C[C@@H](O)CNCC[N@H+](C)C2CC2)CC1 ZINC000644527967 374590383 /nfs/dbraw/zinc/59/03/83/374590383.db2.gz HSRDGOLTWMYQGC-AWEZNQCLSA-N 2 2 270.421 -0.722 20 0 CBADLP CN1CC[NH+](C[C@@H](O)CNCC[N@@H+](C)C2CC2)CC1 ZINC000644527967 374590391 /nfs/dbraw/zinc/59/03/91/374590391.db2.gz HSRDGOLTWMYQGC-AWEZNQCLSA-N 2 2 270.421 -0.722 20 0 CBADLP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2CCN(CC3CC3)C2)CC1 ZINC000644556621 374594532 /nfs/dbraw/zinc/59/45/32/374594532.db2.gz HQDWBSKLKPKULI-HZPDHXFCSA-N 2 2 296.459 -0.331 20 0 CBADLP C[C@@H](CC[NH+](C)C)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000644562830 374595225 /nfs/dbraw/zinc/59/52/25/374595225.db2.gz BOGFFKRTFVLIAN-KBPBESRZSA-N 3 2 272.437 -0.476 20 0 CBADLP CC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)C(=O)N1CCOCC1 ZINC000644586161 374599812 /nfs/dbraw/zinc/59/98/12/374599812.db2.gz MJIKWYSVNFLEEF-KGLIPLIRSA-N 2 2 299.415 -0.332 20 0 CBADLP CC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)C(=O)N1CCOCC1 ZINC000644586161 374599815 /nfs/dbraw/zinc/59/98/15/374599815.db2.gz MJIKWYSVNFLEEF-KGLIPLIRSA-N 2 2 299.415 -0.332 20 0 CBADLP CC(C)[C@H](C(=O)N[C@H](CO)C[NH+]1CCOCC1)[NH+](C)C ZINC000644886143 374630187 /nfs/dbraw/zinc/63/01/87/374630187.db2.gz ZWBDRNVBKHTWLY-QWHCGFSZSA-N 2 2 287.404 -0.618 20 0 CBADLP C[N@@H+]1C[C@@H]2CCN(C[C@@H](O)C[NH+]3CCOCC3)[C@@H]2C1 ZINC000644734682 374615185 /nfs/dbraw/zinc/61/51/85/374615185.db2.gz OPWAMCJWBKKODQ-MELADBBJSA-N 2 2 269.389 -0.685 20 0 CBADLP C[N@H+]1C[C@@H]2CCN(C[C@@H](O)C[NH+]3CCOCC3)[C@@H]2C1 ZINC000644734682 374615189 /nfs/dbraw/zinc/61/51/89/374615189.db2.gz OPWAMCJWBKKODQ-MELADBBJSA-N 2 2 269.389 -0.685 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000645103706 374643623 /nfs/dbraw/zinc/64/36/23/374643623.db2.gz AADLUEQLKSEEGB-STQMWFEESA-N 2 2 294.399 -0.591 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000645505457 374678623 /nfs/dbraw/zinc/67/86/23/374678623.db2.gz DTCDKKPQXNJLAC-MNOVXSKESA-N 2 2 255.362 -0.179 20 0 CBADLP C[C@H]1[NH2+]CC[C@@H]1C(=O)N(C)CC[NH+]1CCOCC1 ZINC000645886895 374710941 /nfs/dbraw/zinc/71/09/41/374710941.db2.gz IBRSSXKEAJHZKN-NEPJUHHUSA-N 2 2 255.362 -0.225 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)[C@@H]1[NH2+]CC1(C)C ZINC000645887017 374711455 /nfs/dbraw/zinc/71/14/55/374711455.db2.gz OHTWUADAYWYETH-NSHDSACASA-N 2 2 255.362 -0.225 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000645953328 374717363 /nfs/dbraw/zinc/71/73/63/374717363.db2.gz PYAKYOLNXQEIMA-GFCCVEGCSA-N 2 2 280.372 -0.981 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000645953328 374717366 /nfs/dbraw/zinc/71/73/66/374717366.db2.gz PYAKYOLNXQEIMA-GFCCVEGCSA-N 2 2 280.372 -0.981 20 0 CBADLP COCC[N@@H+]1CC[C@H](NC(=O)[C@H]([NH3+])c2cscn2)C1 ZINC000645951628 374717752 /nfs/dbraw/zinc/71/77/52/374717752.db2.gz MGFWORVZOSBGPQ-GXSJLCMTSA-N 2 2 284.385 -0.020 20 0 CBADLP COCC[N@H+]1CC[C@H](NC(=O)[C@H]([NH3+])c2cscn2)C1 ZINC000645951628 374717759 /nfs/dbraw/zinc/71/77/59/374717759.db2.gz MGFWORVZOSBGPQ-GXSJLCMTSA-N 2 2 284.385 -0.020 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CC[NH3+])C2)CC1 ZINC000645978013 374720982 /nfs/dbraw/zinc/72/09/82/374720982.db2.gz QTBWPHKZIQLKKB-LLVKDONJSA-N 3 2 254.378 -0.380 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CC[NH3+])C2)CC1 ZINC000645978013 374720986 /nfs/dbraw/zinc/72/09/86/374720986.db2.gz QTBWPHKZIQLKKB-LLVKDONJSA-N 3 2 254.378 -0.380 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3C[NH2+]CCO3)C2)CC1 ZINC000645978191 374723239 /nfs/dbraw/zinc/72/32/39/374723239.db2.gz WPNSKPBMYLMKKS-JSGCOSHPSA-N 3 2 296.415 -0.741 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3C[NH2+]CCO3)C2)CC1 ZINC000645978191 374723246 /nfs/dbraw/zinc/72/32/46/374723246.db2.gz WPNSKPBMYLMKKS-JSGCOSHPSA-N 3 2 296.415 -0.741 20 0 CBADLP C[NH+]1CCC2(CC1)C[N@H+](CC(=O)N1CCNC1=O)CCO2 ZINC000646103174 374740238 /nfs/dbraw/zinc/74/02/38/374740238.db2.gz HGUDDEKVOBYUFC-UHFFFAOYSA-N 2 2 296.371 -0.665 20 0 CBADLP C[NH+]1CCC2(CC1)C[N@@H+](CC(=O)N1CCNC1=O)CCO2 ZINC000646103174 374740240 /nfs/dbraw/zinc/74/02/40/374740240.db2.gz HGUDDEKVOBYUFC-UHFFFAOYSA-N 2 2 296.371 -0.665 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NC1CCC([NH3+])CC1 ZINC000646664862 374800807 /nfs/dbraw/zinc/80/08/07/374800807.db2.gz VDAVDKBKBJDPEK-UHFFFAOYSA-N 2 2 284.404 -0.171 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NC1CCC([NH3+])CC1 ZINC000646664862 374800812 /nfs/dbraw/zinc/80/08/12/374800812.db2.gz VDAVDKBKBJDPEK-UHFFFAOYSA-N 2 2 284.404 -0.171 20 0 CBADLP C[N@@H+]1CCN(C(=O)CCN2CCCC2=O)[C@H](C[NH3+])C1 ZINC000646835352 374821881 /nfs/dbraw/zinc/82/18/81/374821881.db2.gz MWQDAPFRMHPQDR-LLVKDONJSA-N 2 2 268.361 -0.900 20 0 CBADLP C[N@H+]1CCN(C(=O)CCN2CCCC2=O)[C@H](C[NH3+])C1 ZINC000646835352 374821885 /nfs/dbraw/zinc/82/18/85/374821885.db2.gz MWQDAPFRMHPQDR-LLVKDONJSA-N 2 2 268.361 -0.900 20 0 CBADLP CC(C)CN1C[C@H](C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])CC1=O ZINC000646836358 374824275 /nfs/dbraw/zinc/82/42/75/374824275.db2.gz VIGDLTIIPKKIFG-CHWSQXEVSA-N 2 2 296.415 -0.408 20 0 CBADLP CC(C)CN1C[C@H](C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])CC1=O ZINC000646836358 374824280 /nfs/dbraw/zinc/82/42/80/374824280.db2.gz VIGDLTIIPKKIFG-CHWSQXEVSA-N 2 2 296.415 -0.408 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000646370777 374774335 /nfs/dbraw/zinc/77/43/35/374774335.db2.gz HRXNIYWJSGKPJW-STQMWFEESA-N 2 2 296.415 -0.347 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000646370777 374774340 /nfs/dbraw/zinc/77/43/40/374774340.db2.gz HRXNIYWJSGKPJW-STQMWFEESA-N 2 2 296.415 -0.347 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)[C@@H](C(C)C)[C@H](C)[NH3+])CC1 ZINC000646408887 374775737 /nfs/dbraw/zinc/77/57/37/374775737.db2.gz QSWPLDRMJVQTTH-JSGCOSHPSA-N 2 2 298.431 -0.114 20 0 CBADLP CCC[NH2+][C@@H](C)C(=O)NCC[NH+]1CCN(C(C)=O)CC1 ZINC000646411621 374778292 /nfs/dbraw/zinc/77/82/92/374778292.db2.gz MCBYLNKCTOGDOY-LBPRGKRZSA-N 2 2 284.404 -0.345 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000647055759 374876274 /nfs/dbraw/zinc/87/62/74/374876274.db2.gz GFJDFHOTZIVDSV-GFCCVEGCSA-N 2 2 296.415 -0.299 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000647055759 374876280 /nfs/dbraw/zinc/87/62/80/374876280.db2.gz GFJDFHOTZIVDSV-GFCCVEGCSA-N 2 2 296.415 -0.299 20 0 CBADLP Cc1cccc2[nH+]c(CCNC(=O)CNC(=O)C[NH3+])cn21 ZINC000647098244 374885938 /nfs/dbraw/zinc/88/59/38/374885938.db2.gz JJURQWIHZIPFDO-UHFFFAOYSA-N 2 2 289.339 -0.624 20 0 CBADLP COc1ncncc1C[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000647179869 374890059 /nfs/dbraw/zinc/89/00/59/374890059.db2.gz UAYDYOHINNKUEI-UHFFFAOYSA-N 2 2 293.371 -0.261 20 0 CBADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CO1 ZINC000647185276 374892643 /nfs/dbraw/zinc/89/26/43/374892643.db2.gz WQZLMTHMBRUGMH-MCIONIFRSA-N 2 2 297.399 -0.314 20 0 CBADLP CC[C@@H]1CN(C(=O)CN2CC[NH2+]CC2=O)CC[C@H]1[NH3+] ZINC000647014708 374860310 /nfs/dbraw/zinc/86/03/10/374860310.db2.gz AMDFCJWYEBCQMI-GHMZBOCLSA-N 2 2 268.361 -0.996 20 0 CBADLP O=C([C@@H]1C[C@@]12CC[NH2+]C2)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000444169062 284522298 /nfs/dbraw/zinc/52/22/98/284522298.db2.gz JLHKALURWKJXDU-KCQAQPDRSA-N 2 2 279.384 -0.081 20 0 CBADLP C[C@@H](CNC[C@@H](O)C[NH+]1CCN(C)CC1)[N@H+](C)C1CC1 ZINC000574632490 335035290 /nfs/dbraw/zinc/03/52/90/335035290.db2.gz XGYWUQXQSVTTRT-DZGCQCFKSA-N 2 2 284.448 -0.333 20 0 CBADLP C[C@@H](CNC[C@@H](O)C[NH+]1CCN(C)CC1)[N@@H+](C)C1CC1 ZINC000574632490 335035292 /nfs/dbraw/zinc/03/52/92/335035292.db2.gz XGYWUQXQSVTTRT-DZGCQCFKSA-N 2 2 284.448 -0.333 20 0 CBADLP COCC[N@H+](C)CCNC(=O)CCn1cc[nH+]c1 ZINC000263791606 190079275 /nfs/dbraw/zinc/07/92/75/190079275.db2.gz QYCMNTHROHGQPI-UHFFFAOYSA-N 2 2 254.334 -0.032 20 0 CBADLP COCC[N@@H+](C)CCNC(=O)CCn1cc[nH+]c1 ZINC000263791606 190079276 /nfs/dbraw/zinc/07/92/76/190079276.db2.gz QYCMNTHROHGQPI-UHFFFAOYSA-N 2 2 254.334 -0.032 20 0 CBADLP C[N@@H+]1CCO[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC000263645720 190071854 /nfs/dbraw/zinc/07/18/54/190071854.db2.gz CFAGHQRJBOAJLH-LLVKDONJSA-N 2 2 252.318 -0.280 20 0 CBADLP C[N@H+]1CCO[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC000263645720 190071855 /nfs/dbraw/zinc/07/18/55/190071855.db2.gz CFAGHQRJBOAJLH-LLVKDONJSA-N 2 2 252.318 -0.280 20 0 CBADLP C[C@H](C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C)[NH+]1CCOCC1 ZINC000356393440 248240997 /nfs/dbraw/zinc/24/09/97/248240997.db2.gz RSPIEYCTQGOHJX-IJLUTSLNSA-N 2 2 255.362 -0.084 20 0 CBADLP Cc1nnc([C@H]2C[N@H+](CCOCC[NH3+])CCO2)[nH]1 ZINC000357066139 248317777 /nfs/dbraw/zinc/31/77/77/248317777.db2.gz BPWLMPGBZSSBMR-SNVBAGLBSA-N 2 2 255.322 -0.538 20 0 CBADLP Cc1nnc([C@H]2C[N@@H+](CCOCC[NH3+])CCO2)[nH]1 ZINC000357066139 248317780 /nfs/dbraw/zinc/31/77/80/248317780.db2.gz BPWLMPGBZSSBMR-SNVBAGLBSA-N 2 2 255.322 -0.538 20 0 CBADLP COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357086963 248318481 /nfs/dbraw/zinc/31/84/81/248318481.db2.gz RXMFUKKMSGNMQN-QJPTWQEYSA-N 2 2 298.387 -0.612 20 0 CBADLP COC[C@H](C)NC(=O)NC(=O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357086963 248318482 /nfs/dbraw/zinc/31/84/82/248318482.db2.gz RXMFUKKMSGNMQN-QJPTWQEYSA-N 2 2 298.387 -0.612 20 0 CBADLP Cc1nc(C)n(C[C@H]2C[N@H+](CCOCC[NH3+])CCO2)n1 ZINC000357072611 248318565 /nfs/dbraw/zinc/31/85/65/248318565.db2.gz KYZHYTDADUFZFV-CYBMUJFWSA-N 2 2 283.376 -0.429 20 0 CBADLP Cc1nc(C)n(C[C@H]2C[N@@H+](CCOCC[NH3+])CCO2)n1 ZINC000357072611 248318567 /nfs/dbraw/zinc/31/85/67/248318567.db2.gz KYZHYTDADUFZFV-CYBMUJFWSA-N 2 2 283.376 -0.429 20 0 CBADLP CCNC(=O)CC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000357301217 248347152 /nfs/dbraw/zinc/34/71/52/248347152.db2.gz IDVNDENOYANIRG-UHFFFAOYSA-N 2 2 284.404 -0.345 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCSC[C@@H]2CCO)CC1 ZINC000357309335 248352198 /nfs/dbraw/zinc/35/21/98/248352198.db2.gz RGTBNCRCFVKAIK-LBPRGKRZSA-N 2 2 287.429 -0.440 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CCSC[C@@H]2CCO)CC1 ZINC000357309335 248352202 /nfs/dbraw/zinc/35/22/02/248352202.db2.gz RGTBNCRCFVKAIK-LBPRGKRZSA-N 2 2 287.429 -0.440 20 0 CBADLP CC[C@H]1C[N@H+](CCNC(=O)[C@@H]2C[NH+](CC)CCO2)CCO1 ZINC000357366753 248353334 /nfs/dbraw/zinc/35/33/34/248353334.db2.gz CINZCAKAOCVFJE-KBPBESRZSA-N 2 2 299.415 -0.066 20 0 CBADLP CC[C@H]1C[N@@H+](CCNC(=O)[C@@H]2C[NH+](CC)CCO2)CCO1 ZINC000357366753 248353339 /nfs/dbraw/zinc/35/33/39/248353339.db2.gz CINZCAKAOCVFJE-KBPBESRZSA-N 2 2 299.415 -0.066 20 0 CBADLP CC[C@H]1C[NH+](CCNC(=O)[C@@H]2C[N@H+](CC)CCO2)CCO1 ZINC000357366753 248353346 /nfs/dbraw/zinc/35/33/46/248353346.db2.gz CINZCAKAOCVFJE-KBPBESRZSA-N 2 2 299.415 -0.066 20 0 CBADLP CC[C@H]1C[NH+](CCNC(=O)[C@@H]2C[N@@H+](CC)CCO2)CCO1 ZINC000357366753 248353352 /nfs/dbraw/zinc/35/33/52/248353352.db2.gz CINZCAKAOCVFJE-KBPBESRZSA-N 2 2 299.415 -0.066 20 0 CBADLP C[C@@H]1[C@H](C)[N@H+](C)CCN1CC(=O)N1CC[NH+](C)CC1 ZINC000357610434 248382680 /nfs/dbraw/zinc/38/26/80/248382680.db2.gz NXJCQBGANRBVET-QWHCGFSZSA-N 2 2 268.405 -0.215 20 0 CBADLP C[C@@H]1[C@H](C)[N@@H+](C)CCN1CC(=O)N1CC[NH+](C)CC1 ZINC000357610434 248382683 /nfs/dbraw/zinc/38/26/83/248382683.db2.gz NXJCQBGANRBVET-QWHCGFSZSA-N 2 2 268.405 -0.215 20 0 CBADLP CC[C@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)C[C@@H]1O ZINC000357610407 248382811 /nfs/dbraw/zinc/38/28/11/248382811.db2.gz NDYIRVNVVKIIMT-RYUDHWBXSA-N 2 2 255.362 -0.537 20 0 CBADLP CC[C@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)C[C@@H]1O ZINC000357610407 248382817 /nfs/dbraw/zinc/38/28/17/248382817.db2.gz NDYIRVNVVKIIMT-RYUDHWBXSA-N 2 2 255.362 -0.537 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357653114 248387691 /nfs/dbraw/zinc/38/76/91/248387691.db2.gz XBVOULXUMPUXCP-UHFFFAOYSA-N 2 2 257.378 -0.101 20 0 CBADLP C[C@@H](C(=O)N(C)C)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357721767 248397925 /nfs/dbraw/zinc/39/79/25/248397925.db2.gz NIBAUULDDUVPBB-NSHDSACASA-N 2 2 257.378 -0.148 20 0 CBADLP C[C@@H](C(=O)N(C)C)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357721767 248397930 /nfs/dbraw/zinc/39/79/30/248397930.db2.gz NIBAUULDDUVPBB-NSHDSACASA-N 2 2 257.378 -0.148 20 0 CBADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@H]1CCCN1S(C)(=O)=O ZINC000333837776 300000753 /nfs/dbraw/zinc/00/07/53/300000753.db2.gz NRTVUABHMGIWQI-TUAOUCFPSA-N 2 2 275.418 -0.002 20 0 CBADLP CC(C)([NH3+])C[N@@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000346827595 218026499 /nfs/dbraw/zinc/02/64/99/218026499.db2.gz SVTNYEAKGMYTFN-SNVBAGLBSA-N 2 2 263.407 -0.015 20 0 CBADLP CC(C)([NH3+])C[N@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000346827595 218026501 /nfs/dbraw/zinc/02/65/01/218026501.db2.gz SVTNYEAKGMYTFN-SNVBAGLBSA-N 2 2 263.407 -0.015 20 0 CBADLP CN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@@H]1C[NH+]2CCC1CC2 ZINC000346958901 218069116 /nfs/dbraw/zinc/06/91/16/218069116.db2.gz DDMOPBRRSOCDMW-OLZOCXBDSA-N 2 2 267.373 -0.130 20 0 CBADLP CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@@H]1C[NH+]2CCC1CC2 ZINC000346958901 218069118 /nfs/dbraw/zinc/06/91/18/218069118.db2.gz DDMOPBRRSOCDMW-OLZOCXBDSA-N 2 2 267.373 -0.130 20 0 CBADLP CC(=O)NC[C@H]1C[N@H+](C[C@H]2CCC[NH2+]C2)CCO1 ZINC000347005338 218088762 /nfs/dbraw/zinc/08/87/62/218088762.db2.gz OTJSGJIZLMDDMM-STQMWFEESA-N 2 2 255.362 -0.177 20 0 CBADLP CC(=O)NC[C@H]1C[N@@H+](C[C@H]2CCC[NH2+]C2)CCO1 ZINC000347005338 218088765 /nfs/dbraw/zinc/08/87/65/218088765.db2.gz OTJSGJIZLMDDMM-STQMWFEESA-N 2 2 255.362 -0.177 20 0 CBADLP CS(=O)(=O)N[C@@H]1CC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000346991004 218080915 /nfs/dbraw/zinc/08/09/15/218080915.db2.gz SMQYGWJOYOWSKQ-WDEREUQCSA-N 2 2 261.391 -0.391 20 0 CBADLP CS(=O)(=O)N[C@@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000346991004 218080917 /nfs/dbraw/zinc/08/09/17/218080917.db2.gz SMQYGWJOYOWSKQ-WDEREUQCSA-N 2 2 261.391 -0.391 20 0 CBADLP C[C@@H](CO)[N@@H+]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000347120522 218129035 /nfs/dbraw/zinc/12/90/35/218129035.db2.gz BAJUMAXTEIISLH-STQMWFEESA-N 2 2 285.388 -0.768 20 0 CBADLP C[C@@H](CO)[N@H+]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000347120522 218129036 /nfs/dbraw/zinc/12/90/36/218129036.db2.gz BAJUMAXTEIISLH-STQMWFEESA-N 2 2 285.388 -0.768 20 0 CBADLP C[C@@H](CO)[NH+]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000347120522 218129037 /nfs/dbraw/zinc/12/90/37/218129037.db2.gz BAJUMAXTEIISLH-STQMWFEESA-N 2 2 285.388 -0.768 20 0 CBADLP C[C@@H](CO)[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000347120522 218129038 /nfs/dbraw/zinc/12/90/38/218129038.db2.gz BAJUMAXTEIISLH-STQMWFEESA-N 2 2 285.388 -0.768 20 0 CBADLP CCC[N@H+](Cc1cn(C)c(=O)n(C)c1=O)[C@H]1CC[NH2+]C1 ZINC000347200619 218152950 /nfs/dbraw/zinc/15/29/50/218152950.db2.gz JWHDLVDPPNYJOH-LBPRGKRZSA-N 2 2 280.372 -0.342 20 0 CBADLP CCC[N@@H+](Cc1cn(C)c(=O)n(C)c1=O)[C@H]1CC[NH2+]C1 ZINC000347200619 218152952 /nfs/dbraw/zinc/15/29/52/218152952.db2.gz JWHDLVDPPNYJOH-LBPRGKRZSA-N 2 2 280.372 -0.342 20 0 CBADLP C[NH2+]CC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000347467758 218244622 /nfs/dbraw/zinc/24/46/22/218244622.db2.gz AXYRMLODBYIOCP-UHFFFAOYSA-N 2 2 264.329 -0.246 20 0 CBADLP C[C@H]([NH3+])C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000347479262 218250669 /nfs/dbraw/zinc/25/06/69/218250669.db2.gz PHEWKEXDBRRCTE-JTQLQIEISA-N 2 2 264.329 -0.118 20 0 CBADLP [NH3+]CC(=O)NCC(=O)NCCCCNc1cccc[nH+]1 ZINC000347651743 218308047 /nfs/dbraw/zinc/30/80/47/218308047.db2.gz LHOGDBBNJLBMRL-UHFFFAOYSA-N 2 2 279.344 -0.535 20 0 CBADLP Cn1cc[nH+]c1N1CC[NH+](CCC(=O)NC(N)=O)CC1 ZINC000266918642 190290369 /nfs/dbraw/zinc/29/03/69/190290369.db2.gz LHWQPLCCTABMHE-UHFFFAOYSA-N 2 2 280.332 -0.873 20 0 CBADLP Cc1cn2cc(NC(=O)CNC(=O)C[NH3+])ccc2[nH+]1 ZINC000347659418 218311938 /nfs/dbraw/zinc/31/19/38/218311938.db2.gz VODJYNWOSZNNII-UHFFFAOYSA-N 2 2 261.285 -0.344 20 0 CBADLP Cn1cc[nH+]c1N1CC[NH+](CCNS(C)(=O)=O)CC1 ZINC000266934630 190291846 /nfs/dbraw/zinc/29/18/46/190291846.db2.gz PNASQEVFVICSLF-UHFFFAOYSA-N 2 2 287.389 -0.909 20 0 CBADLP CC[C@@H](C(N)=O)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000266944705 190292658 /nfs/dbraw/zinc/29/26/58/190292658.db2.gz SEDFUSPBBWRICI-JTQLQIEISA-N 2 2 251.334 -0.194 20 0 CBADLP C[C@H]1C[N@H+](CCc2c[nH+]cn2C)C[C@@H](C(N)=O)O1 ZINC000347749936 218344091 /nfs/dbraw/zinc/34/40/91/218344091.db2.gz NXGUDHDXDOMTGJ-ONGXEEELSA-N 2 2 252.318 -0.463 20 0 CBADLP C[C@H]1C[N@@H+](CCc2c[nH+]cn2C)C[C@@H](C(N)=O)O1 ZINC000347749936 218344092 /nfs/dbraw/zinc/34/40/92/218344092.db2.gz NXGUDHDXDOMTGJ-ONGXEEELSA-N 2 2 252.318 -0.463 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@](C)(O)C2)CC1 ZINC000163219196 207396572 /nfs/dbraw/zinc/39/65/72/207396572.db2.gz USQIJGVSCJQTDM-ZDUSSCGKSA-N 2 2 255.362 -0.393 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@](C)(O)C2)CC1 ZINC000163219196 207396576 /nfs/dbraw/zinc/39/65/76/207396576.db2.gz USQIJGVSCJQTDM-ZDUSSCGKSA-N 2 2 255.362 -0.393 20 0 CBADLP CC[C@H]([NH3+])C(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000164027157 207396988 /nfs/dbraw/zinc/39/69/88/207396988.db2.gz CWWNCIJASULSFW-JQWIXIFHSA-N 2 2 282.388 -0.465 20 0 CBADLP CC(C)[NH+]1CCN(C(=O)C(=O)N2CC[NH2+]C[C@H]2C)CC1 ZINC000423614798 207912576 /nfs/dbraw/zinc/91/25/76/207912576.db2.gz XNTQBBFFVILWDN-GFCCVEGCSA-N 2 2 282.388 -0.641 20 0 CBADLP C[C@@H]1CN(C(=O)C2(C)C[NH2+]C2)C[C@H]1[NH+]1CCOCC1 ZINC000423428054 207897743 /nfs/dbraw/zinc/89/77/43/207897743.db2.gz JTZACMYVFYPIMW-VXGBXAGGSA-N 2 2 267.373 -0.225 20 0 CBADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)C[C@@H]2CC[NH2+]C2)CC1 ZINC000427284067 208058304 /nfs/dbraw/zinc/05/83/04/208058304.db2.gz YZBQIYRJZWYRGS-NSHDSACASA-N 2 2 282.388 -0.606 20 0 CBADLP C[NH+](C)C1CC[NH+](CCNC(=O)C(C)(C)O)CC1 ZINC000427635603 208066590 /nfs/dbraw/zinc/06/65/90/208066590.db2.gz FMMWXHOXVXRGMZ-UHFFFAOYSA-N 2 2 257.378 -0.101 20 0 CBADLP C[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C)[NH+]1CCOCC1 ZINC000429493189 208124320 /nfs/dbraw/zinc/12/43/20/208124320.db2.gz HBZRVZYZVQVPHF-RYUDHWBXSA-N 2 2 255.362 -0.083 20 0 CBADLP C[C@@H](C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1)[NH+]1CCOCC1 ZINC000429153765 208111635 /nfs/dbraw/zinc/11/16/35/208111635.db2.gz WTAYOBYMKDXLSF-GRYCIOLGSA-N 2 2 255.362 -0.097 20 0 CBADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C1(CO)CCC1 ZINC000429269562 208116589 /nfs/dbraw/zinc/11/65/89/208116589.db2.gz VVIUVMRSNFDDPX-UHFFFAOYSA-N 2 2 255.362 -0.393 20 0 CBADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C1(CO)CCC1 ZINC000429269562 208116597 /nfs/dbraw/zinc/11/65/97/208116597.db2.gz VVIUVMRSNFDDPX-UHFFFAOYSA-N 2 2 255.362 -0.393 20 0 CBADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)NCC(=O)N1CCCC1 ZINC000430575951 208166266 /nfs/dbraw/zinc/16/62/66/208166266.db2.gz WDDRUAZAHIWBKO-AWEZNQCLSA-N 2 2 284.404 -0.312 20 0 CBADLP C[C@](C[NH3+])([NH2+]CC(=O)NCCCN1CCCC1=O)C1CC1 ZINC000430587189 208166692 /nfs/dbraw/zinc/16/66/92/208166692.db2.gz VAXWNKPJNPAFKB-OAHLLOKOSA-N 2 2 296.415 -0.168 20 0 CBADLP C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C[NH3+])C(=O)N(C)C ZINC000430594291 208167084 /nfs/dbraw/zinc/16/70/84/208167084.db2.gz VFAOOPUUUOWUAW-JTQLQIEISA-N 2 2 272.393 -0.504 20 0 CBADLP C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C[NH3+])C(=O)N(C)C ZINC000430594291 208167089 /nfs/dbraw/zinc/16/70/89/208167089.db2.gz VFAOOPUUUOWUAW-JTQLQIEISA-N 2 2 272.393 -0.504 20 0 CBADLP CC(C)N1CC[C@H]([N@H+](C)CC(=O)N2CC[NH2+]CC2)C1=O ZINC000430629723 208168057 /nfs/dbraw/zinc/16/80/57/208168057.db2.gz QSNNYYMBYNOZIF-LBPRGKRZSA-N 2 2 282.388 -0.641 20 0 CBADLP CC(C)N1CC[C@H]([N@@H+](C)CC(=O)N2CC[NH2+]CC2)C1=O ZINC000430629723 208168064 /nfs/dbraw/zinc/16/80/64/208168064.db2.gz QSNNYYMBYNOZIF-LBPRGKRZSA-N 2 2 282.388 -0.641 20 0 CBADLP CC(=O)N1CCN(C(=O)[C@H](C)[NH+]2CCC([NH3+])CC2)CC1 ZINC000430637394 208168236 /nfs/dbraw/zinc/16/82/36/208168236.db2.gz BAMUYZYCSHCGGO-NSHDSACASA-N 2 2 282.388 -0.511 20 0 CBADLP CC(C)N1CCC[C@@H]([N@H+](C)CC(=O)N2CC[NH2+]CC2)C1=O ZINC000430660982 208169421 /nfs/dbraw/zinc/16/94/21/208169421.db2.gz FMGPAVLFCNMGOM-CYBMUJFWSA-N 2 2 296.415 -0.251 20 0 CBADLP CC(C)N1CCC[C@@H]([N@@H+](C)CC(=O)N2CC[NH2+]CC2)C1=O ZINC000430660982 208169423 /nfs/dbraw/zinc/16/94/23/208169423.db2.gz FMGPAVLFCNMGOM-CYBMUJFWSA-N 2 2 296.415 -0.251 20 0 CBADLP CCS(=O)(=O)NCC[N@@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000430639364 208169800 /nfs/dbraw/zinc/16/98/00/208169800.db2.gz HUSHXMVSNCYEKQ-NSHDSACASA-N 2 2 263.407 -0.143 20 0 CBADLP CCS(=O)(=O)NCC[N@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000430639364 208169806 /nfs/dbraw/zinc/16/98/06/208169806.db2.gz HUSHXMVSNCYEKQ-NSHDSACASA-N 2 2 263.407 -0.143 20 0 CBADLP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[NH+]1CCC([NH3+])CC1 ZINC000430644646 208170065 /nfs/dbraw/zinc/17/00/65/208170065.db2.gz TYUSHILKIHMRFK-SNVBAGLBSA-N 2 2 282.388 -0.465 20 0 CBADLP CC[C@H]([NH3+])C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000430695708 208171007 /nfs/dbraw/zinc/17/10/07/208171007.db2.gz HPUQWCPVXXVKHK-ZDUSSCGKSA-N 2 2 296.415 -0.216 20 0 CBADLP O=C(NCCCC[NH+]1CCOCC1)[C@H]1COCC[NH2+]1 ZINC000430677940 208171793 /nfs/dbraw/zinc/17/17/93/208171793.db2.gz HTHWVTFXEQMKJQ-GFCCVEGCSA-N 2 2 271.361 -0.797 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000430719027 208175774 /nfs/dbraw/zinc/17/57/74/208175774.db2.gz IPBOKCBRRPFJNW-GFCCVEGCSA-N 2 2 294.399 -0.449 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000430719027 208175778 /nfs/dbraw/zinc/17/57/78/208175778.db2.gz IPBOKCBRRPFJNW-GFCCVEGCSA-N 2 2 294.399 -0.449 20 0 CBADLP Cc1[nH+]ccn1CCCNC(=O)CN1CC[NH2+]CC1=O ZINC000430752555 208178488 /nfs/dbraw/zinc/17/84/88/208178488.db2.gz GZQJLRVYVNHANZ-UHFFFAOYSA-N 2 2 279.344 -0.870 20 0 CBADLP C[NH2+]C[C@H](C)C(=O)NCC[NH+]1CCN(C(C)=O)CC1 ZINC000430747054 208178793 /nfs/dbraw/zinc/17/87/93/208178793.db2.gz VFTQBLZATRTWFX-NSHDSACASA-N 2 2 270.377 -0.878 20 0 CBADLP C[C@@H]([NH3+])CC(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000430764511 208179635 /nfs/dbraw/zinc/17/96/35/208179635.db2.gz SGOMLSCTYPTSJI-GHMZBOCLSA-N 2 2 282.388 -0.465 20 0 CBADLP CC[N@H+](C)C[C@@H]1CCN(C(=O)CN2CC[NH2+]CC2=O)C1 ZINC000430798123 208180626 /nfs/dbraw/zinc/18/06/26/208180626.db2.gz RQYKCSUTJKZLNT-LBPRGKRZSA-N 2 2 282.388 -0.782 20 0 CBADLP CC[N@@H+](C)C[C@@H]1CCN(C(=O)CN2CC[NH2+]CC2=O)C1 ZINC000430798123 208180631 /nfs/dbraw/zinc/18/06/31/208180631.db2.gz RQYKCSUTJKZLNT-LBPRGKRZSA-N 2 2 282.388 -0.782 20 0 CBADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000430770943 208181346 /nfs/dbraw/zinc/18/13/46/208181346.db2.gz AQXCFKVDZKLUBC-CYBMUJFWSA-N 3 2 284.404 -0.883 20 0 CBADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000430802706 208185476 /nfs/dbraw/zinc/18/54/76/208185476.db2.gz ACKFVVFCAIIWDO-JTQLQIEISA-N 2 2 268.361 -0.996 20 0 CBADLP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)CN1CC[NH2+]CC1=O ZINC000430892629 208186036 /nfs/dbraw/zinc/18/60/36/208186036.db2.gz AYCOEQGPQXOQKN-CHWSQXEVSA-N 2 2 296.415 -0.203 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000430880227 208187204 /nfs/dbraw/zinc/18/72/04/208187204.db2.gz SIUMBIWCIICHKR-RYUDHWBXSA-N 2 2 255.362 -0.035 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000430880227 208187211 /nfs/dbraw/zinc/18/72/11/208187211.db2.gz SIUMBIWCIICHKR-RYUDHWBXSA-N 2 2 255.362 -0.035 20 0 CBADLP COC1(C(=O)NCC[N@@H+]2CCOC[C@H]2C)CC[NH2+]CC1 ZINC000430895055 208187446 /nfs/dbraw/zinc/18/74/46/208187446.db2.gz RSHOWSUHBBBKDU-GFCCVEGCSA-N 2 2 285.388 -0.408 20 0 CBADLP COC1(C(=O)NCC[N@H+]2CCOC[C@H]2C)CC[NH2+]CC1 ZINC000430895055 208187451 /nfs/dbraw/zinc/18/74/51/208187451.db2.gz RSHOWSUHBBBKDU-GFCCVEGCSA-N 2 2 285.388 -0.408 20 0 CBADLP C[NH2+]C1CC[NH+](CCCS(=O)(=O)N(C)C)CC1 ZINC000430936140 208192416 /nfs/dbraw/zinc/19/24/16/208192416.db2.gz XOKLPSROFRDXIU-UHFFFAOYSA-N 2 2 263.407 -0.048 20 0 CBADLP C[NH2+]C[C@H]1CC[N@@H+]([C@H](C)C(=O)N(C)CC(=O)NC2CC2)C1 ZINC000430951697 208193719 /nfs/dbraw/zinc/19/37/19/208193719.db2.gz WGVKHYJRNOMNCD-VXGBXAGGSA-N 2 2 296.415 -0.347 20 0 CBADLP C[NH2+]C[C@H]1CC[N@H+]([C@H](C)C(=O)N(C)CC(=O)NC2CC2)C1 ZINC000430951697 208193726 /nfs/dbraw/zinc/19/37/26/208193726.db2.gz WGVKHYJRNOMNCD-VXGBXAGGSA-N 2 2 296.415 -0.347 20 0 CBADLP O=C([C@@H]1C[NH2+]CCO1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000431006484 208194528 /nfs/dbraw/zinc/19/45/28/208194528.db2.gz RPQHRXHESRYMAJ-NSHDSACASA-N 2 2 279.344 -0.958 20 0 CBADLP Cn1cc(C[NH+]2CCN(C(=O)[C@H]3C[NH2+]CCO3)CC2)cn1 ZINC000431006358 208196726 /nfs/dbraw/zinc/19/67/26/208196726.db2.gz YHIKBXXDOLPITP-CYBMUJFWSA-N 2 2 293.371 -0.947 20 0 CBADLP C[NH2+]C[C@H](C)C(=O)NC[C@@H](C)[NH+]1CCN(C)CC1 ZINC000431006578 208197255 /nfs/dbraw/zinc/19/72/55/208197255.db2.gz YZBXKKCMSFYADX-NWDGAFQWSA-N 2 2 256.394 -0.406 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1CC[C@H]([NH3+])C1)[NH+]1CCN(C)CC1 ZINC000431013599 208199561 /nfs/dbraw/zinc/19/95/61/208199561.db2.gz YWBKMFMZYNUOKI-UPJWGTAASA-N 2 2 268.405 -0.134 20 0 CBADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)CN1CC[NH2+]CC1=O ZINC000431021221 208199724 /nfs/dbraw/zinc/19/97/24/208199724.db2.gz IGZMDKCELPTXIH-CMPLNLGQSA-N 2 2 280.372 -0.983 20 0 CBADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)CN1CC[NH2+]CC1=O ZINC000431021221 208199726 /nfs/dbraw/zinc/19/97/26/208199726.db2.gz IGZMDKCELPTXIH-CMPLNLGQSA-N 2 2 280.372 -0.983 20 0 CBADLP CC[NH+]1CCN(CCCCNC(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC000431013762 208200122 /nfs/dbraw/zinc/20/01/22/208200122.db2.gz GSEGCAUKZOIECZ-AWEZNQCLSA-N 2 2 298.431 -0.491 20 0 CBADLP C[NH2+]C[C@@H](C)C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000431027121 208200425 /nfs/dbraw/zinc/20/04/25/208200425.db2.gz HHDMAVJRYZQCDX-NEPJUHHUSA-N 2 2 256.394 -0.406 20 0 CBADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000431023507 208200530 /nfs/dbraw/zinc/20/05/30/208200530.db2.gz RFBAQABLCRRABG-AGIUHOORSA-N 2 2 268.405 -0.134 20 0 CBADLP O=C(C[C@@H]1C[NH2+]CCO1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000431033285 208202526 /nfs/dbraw/zinc/20/25/26/208202526.db2.gz HRTJPXDLWJUAHG-UONOGXRCSA-N 2 2 297.399 -0.312 20 0 CBADLP CC1(C)C[N@H+](CCNC(=O)C[C@@H]2C[NH2+]CCO2)CCO1 ZINC000431059784 208202735 /nfs/dbraw/zinc/20/27/35/208202735.db2.gz QHBFJXVDUXOQRG-GFCCVEGCSA-N 2 2 285.388 -0.408 20 0 CBADLP CC1(C)C[N@@H+](CCNC(=O)C[C@@H]2C[NH2+]CCO2)CCO1 ZINC000431059784 208202738 /nfs/dbraw/zinc/20/27/38/208202738.db2.gz QHBFJXVDUXOQRG-GFCCVEGCSA-N 2 2 285.388 -0.408 20 0 CBADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1csc(C[NH3+])n1 ZINC000431029803 208202868 /nfs/dbraw/zinc/20/28/68/208202868.db2.gz GSWKZFNEWJAHAU-JTQLQIEISA-N 2 2 297.428 -0.033 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000431063198 208203064 /nfs/dbraw/zinc/20/30/64/208203064.db2.gz YNGPAPMWQOLMBK-ZDUSSCGKSA-N 2 2 294.399 -0.495 20 0 CBADLP CC(C)[C@@H](C[NH3+])C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000433152023 208239812 /nfs/dbraw/zinc/23/98/12/208239812.db2.gz PTHAKJBXAVAYSR-LLVKDONJSA-N 2 2 284.404 -0.375 20 0 CBADLP COCCOCC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369257667 285086957 /nfs/dbraw/zinc/08/69/57/285086957.db2.gz SCODEQHHVVPKMH-ZDUSSCGKSA-N 2 2 299.415 -0.066 20 0 CBADLP COCCOCC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369257667 285086959 /nfs/dbraw/zinc/08/69/59/285086959.db2.gz SCODEQHHVVPKMH-ZDUSSCGKSA-N 2 2 299.415 -0.066 20 0 CBADLP C[C@H](C(=O)N1CC[NH2+][C@@H](C)[C@@H]1C)[NH+]1CCOCC1 ZINC000434704259 208267191 /nfs/dbraw/zinc/26/71/91/208267191.db2.gz XKNBCTIYFMWHPR-SDDRHHMPSA-N 2 2 255.362 -0.084 20 0 CBADLP C[C@@H](CN1CCOCC1)[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000434700658 208267911 /nfs/dbraw/zinc/26/79/11/208267911.db2.gz ASYNEWMUTNNXCP-AWEZNQCLSA-N 2 2 298.431 -0.587 20 0 CBADLP C[C@@H](CN1CCOCC1)[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000434700658 208267916 /nfs/dbraw/zinc/26/79/16/208267916.db2.gz ASYNEWMUTNNXCP-AWEZNQCLSA-N 2 2 298.431 -0.587 20 0 CBADLP Cc1cccc(NCCNC(=O)[C@@H]([NH3+])CC(N)=O)[nH+]1 ZINC000438882812 208313262 /nfs/dbraw/zinc/31/32/62/208313262.db2.gz ALLUOQNOLWCXCC-VIFPVBQESA-N 2 2 265.317 -0.879 20 0 CBADLP C[C@@H](C(=O)NCC[N@@H+]1CCCOCC1)N1CC[NH+](C)CC1 ZINC000438695777 208313487 /nfs/dbraw/zinc/31/34/87/208313487.db2.gz SUFWONYCWVHUED-AWEZNQCLSA-N 2 2 298.431 -0.539 20 0 CBADLP C[C@@H](C(=O)NCC[N@H+]1CCCOCC1)N1CC[NH+](C)CC1 ZINC000438695777 208313493 /nfs/dbraw/zinc/31/34/93/208313493.db2.gz SUFWONYCWVHUED-AWEZNQCLSA-N 2 2 298.431 -0.539 20 0 CBADLP CC[N@H+](CC(=O)N1CCNC(=O)C1)[C@H]1CCC[NH2+]CC1 ZINC000435626313 208283287 /nfs/dbraw/zinc/28/32/87/208283287.db2.gz KLNLTJYPMNJZHF-LBPRGKRZSA-N 2 2 282.388 -0.591 20 0 CBADLP CC[N@@H+](CC(=O)N1CCNC(=O)C1)[C@H]1CCC[NH2+]CC1 ZINC000435626313 208283292 /nfs/dbraw/zinc/28/32/92/208283292.db2.gz KLNLTJYPMNJZHF-LBPRGKRZSA-N 2 2 282.388 -0.591 20 0 CBADLP C[C@@H]([NH3+])CN1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000442653837 208357260 /nfs/dbraw/zinc/35/72/60/208357260.db2.gz AKGIJDCZUQIYQR-GFCCVEGCSA-N 2 2 254.378 -0.426 20 0 CBADLP CC(C)[C@@H](CNC(=O)C[NH+](C)C)NC(=O)C[NH+](C)C ZINC000442647852 208357491 /nfs/dbraw/zinc/35/74/91/208357491.db2.gz ILDMVDKMRBEVPW-LLVKDONJSA-N 2 2 272.393 -0.633 20 0 CBADLP C[C@H]([NH3+])CN1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000442660008 208360079 /nfs/dbraw/zinc/36/00/79/208360079.db2.gz LJONRSROWIPXCI-ZDUSSCGKSA-N 2 2 268.405 -0.036 20 0 CBADLP CCCC[C@@H]([NH3+])C(=O)NCC[NH+]1CCN(C(C)=O)CC1 ZINC000442713582 208361818 /nfs/dbraw/zinc/36/18/18/208361818.db2.gz LUVMJPVZQMMMIJ-CYBMUJFWSA-N 2 2 284.404 -0.216 20 0 CBADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)NCC(=O)N1CCCC1 ZINC000442789661 208367201 /nfs/dbraw/zinc/36/72/01/208367201.db2.gz KASHEFJPZXZNPY-RYUDHWBXSA-N 2 2 282.388 -0.606 20 0 CBADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)NCC(=O)N1CCCC1 ZINC000442789661 208367207 /nfs/dbraw/zinc/36/72/07/208367207.db2.gz KASHEFJPZXZNPY-RYUDHWBXSA-N 2 2 282.388 -0.606 20 0 CBADLP O=C(NCc1cc[nH+]c(N2CCOCC2)c1)[C@H]1CC[NH2+]1 ZINC000444176485 208404057 /nfs/dbraw/zinc/40/40/57/208404057.db2.gz PALCFFXBNKFMFA-GFCCVEGCSA-N 2 2 276.340 -0.104 20 0 CBADLP C[NH+](C)CCN1C[C@@H](C(=O)NCc2c[nH+]c[nH]2)CC1=O ZINC000443545846 208391032 /nfs/dbraw/zinc/39/10/32/208391032.db2.gz XSSIPNVYTIRQBP-JTQLQIEISA-N 2 2 279.344 -0.564 20 0 CBADLP C[NH+](C)CCN1C[C@@H](C(=O)NCc2c[nH]c[nH+]2)CC1=O ZINC000443545846 208391038 /nfs/dbraw/zinc/39/10/38/208391038.db2.gz XSSIPNVYTIRQBP-JTQLQIEISA-N 2 2 279.344 -0.564 20 0 CBADLP COC(=O)[C@H](C)C[N@@H+]1CCO[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000375699777 533172290 /nfs/dbraw/zinc/17/22/90/533172290.db2.gz XFNQELYRVDQFBA-KGLIPLIRSA-N 2 2 299.415 -0.256 20 0 CBADLP COC(=O)[C@H](C)C[N@H+]1CCO[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000375699777 533172296 /nfs/dbraw/zinc/17/22/96/533172296.db2.gz XFNQELYRVDQFBA-KGLIPLIRSA-N 2 2 299.415 -0.256 20 0 CBADLP COC[C@H]([NH3+])C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000262270122 285382463 /nfs/dbraw/zinc/38/24/63/285382463.db2.gz KGXRCKYUVSIEFP-OLZOCXBDSA-N 2 2 285.388 -0.327 20 0 CBADLP COC1(C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)CC[NH2+]CC1 ZINC000167693309 292095113 /nfs/dbraw/zinc/09/51/13/292095113.db2.gz PJBQWEGFJUSQPV-STQMWFEESA-N 2 2 299.415 -0.020 20 0 CBADLP C[C@H](C[NH3+])CNC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000417518243 298527446 /nfs/dbraw/zinc/52/74/46/298527446.db2.gz KGZBPMNVZJSFOW-GRYCIOLGSA-N 2 2 272.393 -0.010 20 0 CBADLP C[C@@H](NC(N)=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369274910 287008749 /nfs/dbraw/zinc/00/87/49/287008749.db2.gz TXHCZAFRRUSMHT-GHMZBOCLSA-N 2 2 297.403 -0.672 20 0 CBADLP C[C@@H](NC(N)=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369274910 287008754 /nfs/dbraw/zinc/00/87/54/287008754.db2.gz TXHCZAFRRUSMHT-GHMZBOCLSA-N 2 2 297.403 -0.672 20 0 CBADLP C[C@@H](c1nnnn1C)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000189781781 287163129 /nfs/dbraw/zinc/16/31/29/287163129.db2.gz WOHNTADKDRPPGB-LBPRGKRZSA-N 2 2 281.408 -0.160 20 0 CBADLP C[C@@H](c1nnnn1C)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000189781781 287163132 /nfs/dbraw/zinc/16/31/32/287163132.db2.gz WOHNTADKDRPPGB-LBPRGKRZSA-N 2 2 281.408 -0.160 20 0 CBADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000662747702 413992243 /nfs/dbraw/zinc/99/22/43/413992243.db2.gz CENQQVBLNMBHMH-HAQNSBGRSA-N 3 2 268.405 -0.134 20 0 CBADLP CN(C(=O)COCC[NH3+])[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662901647 414058529 /nfs/dbraw/zinc/05/85/29/414058529.db2.gz XWPIHOXBSXIFTO-AWEZNQCLSA-N 3 2 298.431 -0.411 20 0 CBADLP CN(C(=O)COCC[NH3+])[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662901647 414058539 /nfs/dbraw/zinc/05/85/39/414058539.db2.gz XWPIHOXBSXIFTO-AWEZNQCLSA-N 3 2 298.431 -0.411 20 0 CBADLP C[C@@H](C(=O)N1CCCCC1)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031587 174025820 /nfs/dbraw/zinc/02/58/20/174025820.db2.gz GNXNYZZBDXPPFX-ZDUSSCGKSA-N 2 2 296.415 -0.249 20 0 CBADLP C[C@@H](C(=O)N1CCCCC1)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031587 174025821 /nfs/dbraw/zinc/02/58/21/174025821.db2.gz GNXNYZZBDXPPFX-ZDUSSCGKSA-N 2 2 296.415 -0.249 20 0 CBADLP CN(CC(=O)N1CC[NH2+]CC1)Cc1[nH+]ccn1C ZINC000038031454 174025992 /nfs/dbraw/zinc/02/59/92/174025992.db2.gz ZLLCIAJHIULIIB-UHFFFAOYSA-N 2 2 251.334 -0.716 20 0 CBADLP CC(C)N(C(=O)C[N@H+](C)CC(=O)N1CC[NH2+]CC1)C(C)C ZINC000038031377 174026158 /nfs/dbraw/zinc/02/61/58/174026158.db2.gz AIUOQJQGTFHQKO-UHFFFAOYSA-N 2 2 298.431 -0.005 20 0 CBADLP CC(C)N(C(=O)C[N@@H+](C)CC(=O)N1CC[NH2+]CC1)C(C)C ZINC000038031377 174026159 /nfs/dbraw/zinc/02/61/59/174026159.db2.gz AIUOQJQGTFHQKO-UHFFFAOYSA-N 2 2 298.431 -0.005 20 0 CBADLP Cc1cc(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)on1 ZINC000038031521 174026391 /nfs/dbraw/zinc/02/63/91/174026391.db2.gz VVRZSLSJQHRUTK-UHFFFAOYSA-N 2 2 252.318 -0.153 20 0 CBADLP Cc1cc(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)on1 ZINC000038031521 174026394 /nfs/dbraw/zinc/02/63/94/174026394.db2.gz VVRZSLSJQHRUTK-UHFFFAOYSA-N 2 2 252.318 -0.153 20 0 CBADLP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000040601424 174351349 /nfs/dbraw/zinc/35/13/49/174351349.db2.gz VRDPQOCCRVUKJA-VHSXEESVSA-N 2 2 256.350 -0.238 20 0 CBADLP CNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000040601424 174351350 /nfs/dbraw/zinc/35/13/50/174351350.db2.gz VRDPQOCCRVUKJA-VHSXEESVSA-N 2 2 256.350 -0.238 20 0 CBADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH2+]C)C1 ZINC000071147644 176043533 /nfs/dbraw/zinc/04/35/33/176043533.db2.gz NLDBNJNHFPKPER-VHSXEESVSA-N 2 2 256.350 -0.238 20 0 CBADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC000071147644 176043535 /nfs/dbraw/zinc/04/35/35/176043535.db2.gz NLDBNJNHFPKPER-VHSXEESVSA-N 2 2 256.350 -0.238 20 0 CBADLP COC(=O)CN1CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000077120210 177226734 /nfs/dbraw/zinc/22/67/34/177226734.db2.gz KYBNYEOZXAACAG-UHFFFAOYSA-N 2 2 252.318 -0.326 20 0 CBADLP Cn1nc2c(cc1=O)C[N@@H+](CCC[NH+]1CCOCC1)CC2 ZINC000078621921 177361741 /nfs/dbraw/zinc/36/17/41/177361741.db2.gz CEDDMYPHXYQXJI-UHFFFAOYSA-N 2 2 292.383 -0.139 20 0 CBADLP Cn1nc2c(cc1=O)C[N@H+](CCC[NH+]1CCOCC1)CC2 ZINC000078621921 177361743 /nfs/dbraw/zinc/36/17/43/177361743.db2.gz CEDDMYPHXYQXJI-UHFFFAOYSA-N 2 2 292.383 -0.139 20 0 CBADLP C[C@H]1C[C@@H]([NH2+]CC(=O)N2CCOCC2)CC[N@@H+]1C ZINC000128143332 544456391 /nfs/dbraw/zinc/45/63/91/544456391.db2.gz CRLNXTQVOTZOLP-RYUDHWBXSA-N 2 2 255.362 -0.083 20 0 CBADLP C[C@H]1C[C@@H]([NH2+]CC(=O)N2CCOCC2)CC[N@H+]1C ZINC000128143332 544456392 /nfs/dbraw/zinc/45/63/92/544456392.db2.gz CRLNXTQVOTZOLP-RYUDHWBXSA-N 2 2 255.362 -0.083 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@]1(C)CCC[NH2+]1 ZINC000079513122 544427308 /nfs/dbraw/zinc/42/73/08/544427308.db2.gz MNSVMVGWXZMYEO-YPMHNXCESA-N 2 2 255.362 -0.035 20 0 CBADLP CC(=O)NCCC[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000093174764 544442378 /nfs/dbraw/zinc/44/23/78/544442378.db2.gz TUSNFGJZZXRWAT-UHFFFAOYSA-N 2 2 270.377 -0.782 20 0 CBADLP CC(=O)NCCC[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000093174764 544442381 /nfs/dbraw/zinc/44/23/81/544442381.db2.gz TUSNFGJZZXRWAT-UHFFFAOYSA-N 2 2 270.377 -0.782 20 0 CBADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H](O)C1CC1 ZINC000093188205 544442675 /nfs/dbraw/zinc/44/26/75/544442675.db2.gz FCFZVJIIFGQXCU-LBPRGKRZSA-N 2 2 255.362 -0.537 20 0 CBADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H](O)C1CC1 ZINC000093188205 544442678 /nfs/dbraw/zinc/44/26/78/544442678.db2.gz FCFZVJIIFGQXCU-LBPRGKRZSA-N 2 2 255.362 -0.537 20 0 CBADLP C[NH+](C)C1(CNC[C@@H](O)C[NH+]2CCOCC2)CCC1 ZINC000097930891 544446375 /nfs/dbraw/zinc/44/63/75/544446375.db2.gz WMUUWOMCSDAJIA-CYBMUJFWSA-N 2 2 271.405 -0.247 20 0 CBADLP CC1(OCC(=O)NCCCn2cc[nH+]c2)C[NH2+]C1 ZINC000098061525 544446819 /nfs/dbraw/zinc/44/68/19/544446819.db2.gz JMKHCFNFZFXYLF-UHFFFAOYSA-N 2 2 252.318 -0.232 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)COC1(C)C[NH2+]C1 ZINC000098061642 544446926 /nfs/dbraw/zinc/44/69/26/544446926.db2.gz GZLKIODZXSAJTI-LLVKDONJSA-N 2 2 271.361 -0.798 20 0 CBADLP C[C@@H]1C[C@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)CCO1 ZINC000223053825 544491555 /nfs/dbraw/zinc/49/15/55/544491555.db2.gz DRCXEOMPAPRINR-VXGBXAGGSA-N 2 2 255.362 -0.083 20 0 CBADLP C[C@@H]1C[NH2+]CCN1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000333787442 228214667 /nfs/dbraw/zinc/21/46/67/228214667.db2.gz LYHFHCLFXIJMDW-GFCCVEGCSA-N 2 2 282.388 -0.146 20 0 CBADLP C[N@@H+]1CCC[C@H]1CNC[C@@H](O)C[NH+]1CCOCC1 ZINC000226057626 544493510 /nfs/dbraw/zinc/49/35/10/544493510.db2.gz PLPLUFQQZBRNAC-QWHCGFSZSA-N 2 2 257.378 -0.637 20 0 CBADLP C[N@H+]1CCC[C@H]1CNC[C@@H](O)C[NH+]1CCOCC1 ZINC000226057626 544493514 /nfs/dbraw/zinc/49/35/14/544493514.db2.gz PLPLUFQQZBRNAC-QWHCGFSZSA-N 2 2 257.378 -0.637 20 0 CBADLP C[C@H]1C[C@@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000156146728 544471173 /nfs/dbraw/zinc/47/11/73/544471173.db2.gz LOHCEORHQOZSRB-STQMWFEESA-N 3 2 268.405 -0.167 20 0 CBADLP C[C@H]1C[C@@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)CC[N@H+]1C ZINC000156146728 544471176 /nfs/dbraw/zinc/47/11/76/544471176.db2.gz LOHCEORHQOZSRB-STQMWFEESA-N 3 2 268.405 -0.167 20 0 CBADLP C[C@H]1C[C@@H](NCC(=O)N2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000156146728 544471180 /nfs/dbraw/zinc/47/11/80/544471180.db2.gz LOHCEORHQOZSRB-STQMWFEESA-N 2 2 268.405 -0.167 20 0 CBADLP C[C@H]1C[C@@H](NCC(=O)N2CC[NH+](C)CC2)CC[N@H+]1C ZINC000156146728 544471187 /nfs/dbraw/zinc/47/11/87/544471187.db2.gz LOHCEORHQOZSRB-STQMWFEESA-N 2 2 268.405 -0.167 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)N2CCn3cc[nH+]c3C2)[N@H+](C)C1 ZINC000329016514 544532421 /nfs/dbraw/zinc/53/24/21/544532421.db2.gz KHCOWJIETHXGQU-QWRGUYRKSA-N 2 2 264.329 -0.056 20 0 CBADLP CO[C@H]1C[C@@H](C(=O)N2CCn3cc[nH+]c3C2)[N@@H+](C)C1 ZINC000329016514 544532423 /nfs/dbraw/zinc/53/24/23/544532423.db2.gz KHCOWJIETHXGQU-QWRGUYRKSA-N 2 2 264.329 -0.056 20 0 CBADLP CC[C@H](C(=O)N(CCO)CC[NH+]1CCOCC1)[NH+](C)C ZINC000338226277 544549353 /nfs/dbraw/zinc/54/93/53/544549353.db2.gz YBRHZVSKYYQKQH-CYBMUJFWSA-N 2 2 287.404 -0.520 20 0 CBADLP O=C(NC[C@@H](O)C[NH+]1CCOCC1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000332998675 544543600 /nfs/dbraw/zinc/54/36/00/544543600.db2.gz RLTSIBALVBSRRP-KGLIPLIRSA-N 2 2 297.399 -0.578 20 0 CBADLP O=C(NC[C@@H](O)C[NH+]1CCOCC1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000332998675 544543604 /nfs/dbraw/zinc/54/36/04/544543604.db2.gz RLTSIBALVBSRRP-KGLIPLIRSA-N 2 2 297.399 -0.578 20 0 CBADLP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000333495591 544544334 /nfs/dbraw/zinc/54/43/34/544544334.db2.gz CTZKBSSKAFRHTQ-SRVKXCTJSA-N 2 2 270.377 -0.243 20 0 CBADLP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000333495591 544544340 /nfs/dbraw/zinc/54/43/40/544544340.db2.gz CTZKBSSKAFRHTQ-SRVKXCTJSA-N 2 2 270.377 -0.243 20 0 CBADLP C[NH+]1CCC(C(=O)N(CCO)CC[NH+]2CCOCC2)CC1 ZINC000339806167 544550218 /nfs/dbraw/zinc/55/02/18/544550218.db2.gz DTAGGTWUAPDZQX-UHFFFAOYSA-N 2 2 299.415 -0.519 20 0 CBADLP C[C@H]1OCC[C@]1(C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000235638221 544504954 /nfs/dbraw/zinc/50/49/54/544504954.db2.gz BXGQVQZQWVATHR-YPMHNXCESA-N 2 2 255.362 -0.083 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)C2(C[NH3+])CCCC2)CC1 ZINC000236576531 544505026 /nfs/dbraw/zinc/50/50/26/544505026.db2.gz KTBWHTBVFDKHLS-UHFFFAOYSA-N 2 2 296.415 -0.214 20 0 CBADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)CN1CC[NH2+]CC1=O ZINC000237066911 544508184 /nfs/dbraw/zinc/50/81/84/544508184.db2.gz DEPVWWRPXFLPSC-GFCCVEGCSA-N 2 2 282.388 -0.591 20 0 CBADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)CN1CC[NH2+]CC1=O ZINC000237066911 544508190 /nfs/dbraw/zinc/50/81/90/544508190.db2.gz DEPVWWRPXFLPSC-GFCCVEGCSA-N 2 2 282.388 -0.591 20 0 CBADLP [NH3+]C[C@@H]1CCC[N@H+](CC(=O)NC[C@H]2CCCO2)C1 ZINC000251415603 544514129 /nfs/dbraw/zinc/51/41/29/544514129.db2.gz RPBXNIPOIRQICP-NWDGAFQWSA-N 2 2 255.362 -0.048 20 0 CBADLP [NH3+]C[C@@H]1CCC[N@@H+](CC(=O)NC[C@H]2CCCO2)C1 ZINC000251415603 544514131 /nfs/dbraw/zinc/51/41/31/544514131.db2.gz RPBXNIPOIRQICP-NWDGAFQWSA-N 2 2 255.362 -0.048 20 0 CBADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@](O)(CO)C1 ZINC000313635544 544528847 /nfs/dbraw/zinc/52/88/47/544528847.db2.gz LHENGIOTANLDIT-QWHCGFSZSA-N 2 2 260.378 -0.493 20 0 CBADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@](O)(CO)C1 ZINC000313635544 544528851 /nfs/dbraw/zinc/52/88/51/544528851.db2.gz LHENGIOTANLDIT-QWHCGFSZSA-N 2 2 260.378 -0.493 20 0 CBADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@](O)(CO)C1 ZINC000313635544 544528855 /nfs/dbraw/zinc/52/88/55/544528855.db2.gz LHENGIOTANLDIT-QWHCGFSZSA-N 2 2 260.378 -0.493 20 0 CBADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@](O)(CO)C1 ZINC000313635544 544528857 /nfs/dbraw/zinc/52/88/57/544528857.db2.gz LHENGIOTANLDIT-QWHCGFSZSA-N 2 2 260.378 -0.493 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(c2nc(N)n[nH]2)CC1 ZINC000660565728 419407946 /nfs/dbraw/zinc/40/79/46/419407946.db2.gz WGQJWBXNEZSHMR-NSHDSACASA-N 2 2 282.392 -0.121 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(c2nc(N)n[nH]2)CC1 ZINC000660565728 419407953 /nfs/dbraw/zinc/40/79/53/419407953.db2.gz WGQJWBXNEZSHMR-NSHDSACASA-N 2 2 282.392 -0.121 20 0 CBADLP CCN1OC[C@@H]([N@H+](C)CCCN(C)CC[NH+](C)C)C1=O ZINC000660558611 419408475 /nfs/dbraw/zinc/40/84/75/419408475.db2.gz DQKXWUALGFOKHB-CYBMUJFWSA-N 2 2 286.420 -0.036 20 0 CBADLP CCN1OC[C@@H]([N@@H+](C)CCCN(C)CC[NH+](C)C)C1=O ZINC000660558611 419408482 /nfs/dbraw/zinc/40/84/82/419408482.db2.gz DQKXWUALGFOKHB-CYBMUJFWSA-N 2 2 286.420 -0.036 20 0 CBADLP Cc1nc(N2CC[N@@H+](CCO)C[C@H]2C)nc(N)[nH+]1 ZINC000631305258 419482751 /nfs/dbraw/zinc/48/27/51/419482751.db2.gz SKADKXFZUVUXMG-MRVPVSSYSA-N 2 2 252.322 -0.735 20 0 CBADLP Cc1nc(N2CC[N@H+](CCO)C[C@H]2C)nc(N)[nH+]1 ZINC000631305258 419482756 /nfs/dbraw/zinc/48/27/56/419482756.db2.gz SKADKXFZUVUXMG-MRVPVSSYSA-N 2 2 252.322 -0.735 20 0 CBADLP O[C@@H]1CC[N@H+](CCNc2cc[nH+]c(N3CCOCC3)n2)C1 ZINC000624678013 419422399 /nfs/dbraw/zinc/42/23/99/419422399.db2.gz BVICASVIADKFAL-GFCCVEGCSA-N 2 2 293.371 -0.208 20 0 CBADLP O[C@@H]1CC[N@@H+](CCNc2cc[nH+]c(N3CCOCC3)n2)C1 ZINC000624678013 419422407 /nfs/dbraw/zinc/42/24/07/419422407.db2.gz BVICASVIADKFAL-GFCCVEGCSA-N 2 2 293.371 -0.208 20 0 CBADLP CN(C)C(=O)C[NH+]1CCN(C(=O)C[C@H]2CCC[NH2+]2)CC1 ZINC000042168724 419425912 /nfs/dbraw/zinc/42/59/12/419425912.db2.gz IJHFBXFOXXJZSJ-GFCCVEGCSA-N 2 2 282.388 -0.639 20 0 CBADLP CC[N@H+](CCO)CCNC(=O)CCc1c[nH+]c[nH]1 ZINC000356128732 544567121 /nfs/dbraw/zinc/56/71/21/544567121.db2.gz KACMNTKXWXNBIZ-UHFFFAOYSA-N 2 2 254.334 -0.227 20 0 CBADLP CC[N@@H+](CCO)CCNC(=O)CCc1c[nH+]c[nH]1 ZINC000356128732 544567125 /nfs/dbraw/zinc/56/71/25/544567125.db2.gz KACMNTKXWXNBIZ-UHFFFAOYSA-N 2 2 254.334 -0.227 20 0 CBADLP CC[N@H+](CCO)CCNC(=O)CCc1c[nH]c[nH+]1 ZINC000356128732 544567128 /nfs/dbraw/zinc/56/71/28/544567128.db2.gz KACMNTKXWXNBIZ-UHFFFAOYSA-N 2 2 254.334 -0.227 20 0 CBADLP O=C([C@@H]1C[NH2+]CCO1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000043709734 419431684 /nfs/dbraw/zinc/43/16/84/419431684.db2.gz IUZPLNAJKMUIEH-OLZOCXBDSA-N 2 2 283.372 -0.702 20 0 CBADLP CC[N@@H+](CCO)CCNC(=O)CCc1c[nH]c[nH+]1 ZINC000356128732 544567132 /nfs/dbraw/zinc/56/71/32/544567132.db2.gz KACMNTKXWXNBIZ-UHFFFAOYSA-N 2 2 254.334 -0.227 20 0 CBADLP Cc1[nH+]ccn1CC[N@@H+]1CCOC[C@@H]1CC(N)=O ZINC000660762597 419437088 /nfs/dbraw/zinc/43/70/88/419437088.db2.gz NFYXJEOHPHIRLP-NSHDSACASA-N 2 2 252.318 -0.232 20 0 CBADLP Cc1[nH+]ccn1CC[N@H+]1CCOC[C@@H]1CC(N)=O ZINC000660762597 419437096 /nfs/dbraw/zinc/43/70/96/419437096.db2.gz NFYXJEOHPHIRLP-NSHDSACASA-N 2 2 252.318 -0.232 20 0 CBADLP c1c(C[NH2+]C2CC2)nnn1CC[NH+]1CCOCC1 ZINC000052377829 419452148 /nfs/dbraw/zinc/45/21/48/419452148.db2.gz YESVRTVRXSDSJT-UHFFFAOYSA-N 2 2 251.334 -0.138 20 0 CBADLP CC[C@H](O)C[NH2+]C1CC[NH+](CC(=O)N(C)C)CC1 ZINC000124529365 419493332 /nfs/dbraw/zinc/49/33/32/419493332.db2.gz UUIQLRFLDWCCKT-LBPRGKRZSA-N 2 2 257.378 -0.101 20 0 CBADLP C[NH2+]CCOCC[N@H+](C)[C@@H](C)c1nc(N)nc(N(C)C)n1 ZINC000629571137 419459537 /nfs/dbraw/zinc/45/95/37/419459537.db2.gz QQGNHVLJBHNTSV-JTQLQIEISA-N 2 2 297.407 -0.251 20 0 CBADLP C[NH2+]CCOCC[N@@H+](C)[C@@H](C)c1nc(N)nc(N(C)C)n1 ZINC000629571137 419459547 /nfs/dbraw/zinc/45/95/47/419459547.db2.gz QQGNHVLJBHNTSV-JTQLQIEISA-N 2 2 297.407 -0.251 20 0 CBADLP CN(CCN1CC[NH2+]CC1)C(=O)CCn1cc[nH+]c1 ZINC000071149664 419463300 /nfs/dbraw/zinc/46/33/00/419463300.db2.gz IYIFTMLFPYFLAC-UHFFFAOYSA-N 2 2 265.361 -0.363 20 0 CBADLP Cc1nc(N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)nc(N)[nH+]1 ZINC000631170661 419472675 /nfs/dbraw/zinc/47/26/75/419472675.db2.gz BRDMIUWKGNCNGG-CBAPKCEASA-N 2 2 252.322 -0.685 20 0 CBADLP Cc1nc(N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)nc(N)[nH+]1 ZINC000631170661 419472680 /nfs/dbraw/zinc/47/26/80/419472680.db2.gz BRDMIUWKGNCNGG-CBAPKCEASA-N 2 2 252.322 -0.685 20 0 CBADLP CC[NH+](CC)CC(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000187302180 419519895 /nfs/dbraw/zinc/51/98/95/419519895.db2.gz DPUWCVYDJFYYMY-LBPRGKRZSA-N 2 2 257.378 -0.147 20 0 CBADLP CC[NH+](CC)CC(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000187302180 419519900 /nfs/dbraw/zinc/51/99/00/419519900.db2.gz DPUWCVYDJFYYMY-LBPRGKRZSA-N 2 2 257.378 -0.147 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1[C@H](C)O ZINC000661767819 419524412 /nfs/dbraw/zinc/52/44/12/419524412.db2.gz RNCBZOSJTNBCPG-YNEHKIRRSA-N 2 2 260.378 -0.229 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1[C@H](C)O ZINC000661767819 419524417 /nfs/dbraw/zinc/52/44/17/419524417.db2.gz RNCBZOSJTNBCPG-YNEHKIRRSA-N 2 2 260.378 -0.229 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H]1[C@H](C)O ZINC000661767819 419524429 /nfs/dbraw/zinc/52/44/29/419524429.db2.gz RNCBZOSJTNBCPG-YNEHKIRRSA-N 2 2 260.378 -0.229 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H]1[C@H](C)O ZINC000661767819 419524433 /nfs/dbraw/zinc/52/44/33/419524433.db2.gz RNCBZOSJTNBCPG-YNEHKIRRSA-N 2 2 260.378 -0.229 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1[C@@H](C)O ZINC000661767815 419528432 /nfs/dbraw/zinc/52/84/32/419528432.db2.gz RNCBZOSJTNBCPG-FRRDWIJNSA-N 2 2 260.378 -0.229 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1[C@@H](C)O ZINC000661767815 419528438 /nfs/dbraw/zinc/52/84/38/419528438.db2.gz RNCBZOSJTNBCPG-FRRDWIJNSA-N 2 2 260.378 -0.229 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]1[C@@H](C)O ZINC000661767815 419528446 /nfs/dbraw/zinc/52/84/46/419528446.db2.gz RNCBZOSJTNBCPG-FRRDWIJNSA-N 2 2 260.378 -0.229 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]1[C@@H](C)O ZINC000661767815 419528450 /nfs/dbraw/zinc/52/84/50/419528450.db2.gz RNCBZOSJTNBCPG-FRRDWIJNSA-N 2 2 260.378 -0.229 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2C[C@H](O)C23CCC3)CC1 ZINC000661844196 419530531 /nfs/dbraw/zinc/53/05/31/419530531.db2.gz VACXCZQYOGJDFA-RYUDHWBXSA-N 2 2 267.373 -0.347 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](c2nnc(N)o2)C1 ZINC000639820937 419534707 /nfs/dbraw/zinc/53/47/07/419534707.db2.gz FQEOAGJZKFRXEF-MNOVXSKESA-N 2 2 283.376 0.144 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](c2nnc(N)o2)C1 ZINC000639820937 419534714 /nfs/dbraw/zinc/53/47/14/419534714.db2.gz FQEOAGJZKFRXEF-MNOVXSKESA-N 2 2 283.376 0.144 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](c2nnc(N)o2)C1 ZINC000639820937 419534717 /nfs/dbraw/zinc/53/47/17/419534717.db2.gz FQEOAGJZKFRXEF-MNOVXSKESA-N 2 2 283.376 0.144 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](c2nnc(N)o2)C1 ZINC000639820937 419534725 /nfs/dbraw/zinc/53/47/25/419534725.db2.gz FQEOAGJZKFRXEF-MNOVXSKESA-N 2 2 283.376 0.144 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](N(C)C(=O)N(C)C)C1 ZINC000662008486 419539250 /nfs/dbraw/zinc/53/92/50/419539250.db2.gz NQWMEBUPMJJGIF-QWHCGFSZSA-N 2 2 286.420 -0.013 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](N(C)C(=O)N(C)C)C1 ZINC000662008486 419539259 /nfs/dbraw/zinc/53/92/59/419539259.db2.gz NQWMEBUPMJJGIF-QWHCGFSZSA-N 2 2 286.420 -0.013 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](N(C)C(=O)N(C)C)C1 ZINC000662008486 419539263 /nfs/dbraw/zinc/53/92/63/419539263.db2.gz NQWMEBUPMJJGIF-QWHCGFSZSA-N 2 2 286.420 -0.013 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](N(C)C(=O)N(C)C)C1 ZINC000662008486 419539267 /nfs/dbraw/zinc/53/92/67/419539267.db2.gz NQWMEBUPMJJGIF-QWHCGFSZSA-N 2 2 286.420 -0.013 20 0 CBADLP CCCNC(=O)C[NH+]1CCC(NC(=O)C[NH+](C)C)CC1 ZINC000193558108 419541376 /nfs/dbraw/zinc/54/13/76/419541376.db2.gz PRBSLHFSLYRQNN-UHFFFAOYSA-N 2 2 284.404 -0.345 20 0 CBADLP CN1CCC[C@H]([N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1=O ZINC000662266794 419568013 /nfs/dbraw/zinc/56/80/13/419568013.db2.gz PDJSIAUSNDAHGO-OLZOCXBDSA-N 2 2 294.399 -0.497 20 0 CBADLP CN1CCC[C@H]([N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1=O ZINC000662266794 419568019 /nfs/dbraw/zinc/56/80/19/419568019.db2.gz PDJSIAUSNDAHGO-OLZOCXBDSA-N 2 2 294.399 -0.497 20 0 CBADLP O=C([C@H]1CCCC[N@@H+]1C[C@H]1C[NH2+]CCO1)N1CCOCC1 ZINC000662258610 419568186 /nfs/dbraw/zinc/56/81/86/419568186.db2.gz VPWMLTCAUYTRGY-ZIAGYGMSSA-N 2 2 297.399 -0.312 20 0 CBADLP O=C([C@H]1CCCC[N@H+]1C[C@H]1C[NH2+]CCO1)N1CCOCC1 ZINC000662258610 419568195 /nfs/dbraw/zinc/56/81/95/419568195.db2.gz VPWMLTCAUYTRGY-ZIAGYGMSSA-N 2 2 297.399 -0.312 20 0 CBADLP [NH3+]Cc1ccc(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)o1 ZINC000394373016 544578714 /nfs/dbraw/zinc/57/87/14/544578714.db2.gz ATFOIZFWKNEKPM-LLVKDONJSA-N 2 2 278.356 -0.142 20 0 CBADLP [NH3+]Cc1ccc(C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)o1 ZINC000394373016 544578718 /nfs/dbraw/zinc/57/87/18/544578718.db2.gz ATFOIZFWKNEKPM-LLVKDONJSA-N 2 2 278.356 -0.142 20 0 CBADLP O=C1NCCC[C@@H]1[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662152514 419548688 /nfs/dbraw/zinc/54/86/88/419548688.db2.gz GSYDWXMESLCRBU-OLZOCXBDSA-N 2 2 267.373 -0.204 20 0 CBADLP O=C1NCCC[C@@H]1[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662152514 419548695 /nfs/dbraw/zinc/54/86/95/419548695.db2.gz GSYDWXMESLCRBU-OLZOCXBDSA-N 2 2 267.373 -0.204 20 0 CBADLP O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)[C@@H]1CSC[NH2+]1 ZINC000394374414 544578826 /nfs/dbraw/zinc/57/88/26/544578826.db2.gz UKRUBIWJNVGFAB-QWRGUYRKSA-N 2 2 270.402 -0.845 20 0 CBADLP O=C(NC[C@H]1C[N@H+]2CCN1CCC2)[C@@H]1CSC[NH2+]1 ZINC000394374414 544578829 /nfs/dbraw/zinc/57/88/29/544578829.db2.gz UKRUBIWJNVGFAB-QWRGUYRKSA-N 2 2 270.402 -0.845 20 0 CBADLP Cc1cc(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)nc(C)n1 ZINC000662244424 419556241 /nfs/dbraw/zinc/55/62/41/419556241.db2.gz QJKHVKCZJMTFKZ-UHFFFAOYSA-N 2 2 277.372 -0.043 20 0 CBADLP Cc1cc(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)nc(C)n1 ZINC000662244424 419556247 /nfs/dbraw/zinc/55/62/47/419556247.db2.gz QJKHVKCZJMTFKZ-UHFFFAOYSA-N 2 2 277.372 -0.043 20 0 CBADLP Cc1nc(NC[C@]2(CO)COCC[NH2+]2)c(C)c(C)[nH+]1 ZINC000641689603 419556723 /nfs/dbraw/zinc/55/67/23/419556723.db2.gz QKUOZOKXEAJBHF-ZDUSSCGKSA-N 2 2 266.345 0.165 20 0 CBADLP OC[C@]1(CNc2cc[nH+]c(C3CC3)n2)COCC[NH2+]1 ZINC000641687967 419557072 /nfs/dbraw/zinc/55/70/72/419557072.db2.gz HBWAWPLLRMIWLF-CYBMUJFWSA-N 2 2 264.329 0.117 20 0 CBADLP CN(C)c1noc(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)n1 ZINC000662244415 419557397 /nfs/dbraw/zinc/55/73/97/419557397.db2.gz QAOAGKBHLFWBFJ-JTQLQIEISA-N 2 2 296.375 -0.578 20 0 CBADLP CN(C)c1noc(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)n1 ZINC000662244415 419557403 /nfs/dbraw/zinc/55/74/03/419557403.db2.gz QAOAGKBHLFWBFJ-JTQLQIEISA-N 2 2 296.375 -0.578 20 0 CBADLP CC(C)OCCOC[C@@H](O)C[N@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC000662255023 419562392 /nfs/dbraw/zinc/56/23/92/419562392.db2.gz VVBNCBYQIQIGSZ-KBPBESRZSA-N 2 2 290.404 -0.291 20 0 CBADLP CC(C)OCCOC[C@@H](O)C[N@@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC000662255023 419562396 /nfs/dbraw/zinc/56/23/96/419562396.db2.gz VVBNCBYQIQIGSZ-KBPBESRZSA-N 2 2 290.404 -0.291 20 0 CBADLP CCC(=O)N[C@H]1CCC[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662252970 419564145 /nfs/dbraw/zinc/56/41/45/419564145.db2.gz FCRQROYXGYNUBS-NWDGAFQWSA-N 2 2 255.362 -0.035 20 0 CBADLP CCC(=O)N[C@H]1CCC[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662252970 419564152 /nfs/dbraw/zinc/56/41/52/419564152.db2.gz FCRQROYXGYNUBS-NWDGAFQWSA-N 2 2 255.362 -0.035 20 0 CBADLP C[C@@H](C(=O)N1CC[C@H]([NH+]2CCOCC2)C1)[C@H](C)[NH3+] ZINC000156912728 419503296 /nfs/dbraw/zinc/50/32/96/419503296.db2.gz YFGGMOHGPOAWJC-WOPDTQHZSA-N 2 2 255.362 -0.097 20 0 CBADLP Cc1cn2c([nH+]1)CC[C@@H](NC(=O)[C@H]1COCC[NH2+]1)C2 ZINC000167152768 419503377 /nfs/dbraw/zinc/50/33/77/419503377.db2.gz AWANSRLZFYRACZ-GHMZBOCLSA-N 2 2 264.329 -0.389 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+]CC2=CCCOC2)CC1 ZINC000379753226 544573084 /nfs/dbraw/zinc/57/30/84/544573084.db2.gz BKXZQRSOBSXBHF-UHFFFAOYSA-N 2 2 253.346 -0.303 20 0 CBADLP CC(C)C[NH+]1CCC(NC(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000236771096 419570533 /nfs/dbraw/zinc/57/05/33/419570533.db2.gz NKTKIIPRIJFWFX-UHFFFAOYSA-N 2 2 296.415 -0.345 20 0 CBADLP CO[C@@H](C[N@H+](CC[NH3+])C[C@@H](O)CO)C1CCCC1 ZINC000662285581 419570975 /nfs/dbraw/zinc/57/09/75/419570975.db2.gz DWNGHWCRTFAQBZ-OLZOCXBDSA-N 2 2 260.378 -0.195 20 0 CBADLP CO[C@@H](C[N@@H+](CC[NH3+])C[C@@H](O)CO)C1CCCC1 ZINC000662285581 419570977 /nfs/dbraw/zinc/57/09/77/419570977.db2.gz DWNGHWCRTFAQBZ-OLZOCXBDSA-N 2 2 260.378 -0.195 20 0 CBADLP O=C(C[C@@H]1CCC[NH2+]1)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000394384398 544580521 /nfs/dbraw/zinc/58/05/21/544580521.db2.gz JCWJRBQURFFMLA-STQMWFEESA-N 2 2 266.389 -0.365 20 0 CBADLP O=C(C[C@@H]1CCC[NH2+]1)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000394384398 544580525 /nfs/dbraw/zinc/58/05/25/544580525.db2.gz JCWJRBQURFFMLA-STQMWFEESA-N 2 2 266.389 -0.365 20 0 CBADLP CCCC[C@H](C[NH3+])NC(=O)CN1CC[NH2+]CC1=O ZINC000236889308 419573968 /nfs/dbraw/zinc/57/39/68/419573968.db2.gz KDOUJIJEJCLQTG-SNVBAGLBSA-N 2 2 256.350 -0.948 20 0 CBADLP CC(C)[C@@H]([NH3+])CCN(C)C(=O)CN1CC[NH2+]CC1=O ZINC000236737645 419574655 /nfs/dbraw/zinc/57/46/55/419574655.db2.gz FONQWZHJRRQUKF-NSHDSACASA-N 2 2 270.377 -0.750 20 0 CBADLP C[C@H]1CN(C(=O)C[NH2+]C2(CO)CC[NH2+]CC2)C[C@H](C)O1 ZINC000662286225 419576625 /nfs/dbraw/zinc/57/66/25/419576625.db2.gz NPKJOSHWRSIJOJ-RYUDHWBXSA-N 2 2 285.388 -0.674 20 0 CBADLP Cc1[nH+]ccn1CCC[N@H+](CC[NH3+])C[C@H](O)CO ZINC000662288594 419577332 /nfs/dbraw/zinc/57/73/32/419577332.db2.gz QSVACVSMEQVXHZ-LBPRGKRZSA-N 3 2 256.350 -0.804 20 0 CBADLP Cc1[nH+]ccn1CCC[N@@H+](CC[NH3+])C[C@H](O)CO ZINC000662288594 419577340 /nfs/dbraw/zinc/57/73/40/419577340.db2.gz QSVACVSMEQVXHZ-LBPRGKRZSA-N 3 2 256.350 -0.804 20 0 CBADLP C[C@@H]1CN(C(=O)C[NH2+]C2(CO)CC[NH2+]CC2)C[C@@H](C)O1 ZINC000662286227 419578511 /nfs/dbraw/zinc/57/85/11/419578511.db2.gz NPKJOSHWRSIJOJ-VXGBXAGGSA-N 2 2 285.388 -0.674 20 0 CBADLP O=C(C[NH2+]C1(CO)CC[NH2+]CC1)N1CCCCC1 ZINC000662286704 419578681 /nfs/dbraw/zinc/57/86/81/419578681.db2.gz YHOKPPYJUADSFU-UHFFFAOYSA-N 2 2 255.362 -0.297 20 0 CBADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C2([NH3+])CC2)CC1 ZINC000237026162 419579007 /nfs/dbraw/zinc/57/90/07/419579007.db2.gz CEGNHTLZZDZASP-UHFFFAOYSA-N 2 2 296.415 -0.120 20 0 CBADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C2([NH3+])CC2)CC1 ZINC000237026162 419579015 /nfs/dbraw/zinc/57/90/15/419579015.db2.gz CEGNHTLZZDZASP-UHFFFAOYSA-N 2 2 296.415 -0.120 20 0 CBADLP O=C(C[C@@H]1CC[NH2+]C1)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000394388155 544581481 /nfs/dbraw/zinc/58/14/81/544581481.db2.gz YBDQHIFFZJNSEB-QWHCGFSZSA-N 2 2 266.389 -0.508 20 0 CBADLP O=C(C[C@@H]1CC[NH2+]C1)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000394388155 544581488 /nfs/dbraw/zinc/58/14/88/544581488.db2.gz YBDQHIFFZJNSEB-QWHCGFSZSA-N 2 2 266.389 -0.508 20 0 CBADLP C[C@H]([C@H](C)NC(=O)C[NH2+]C[C@@H]1CCCO1)[NH+]1CCOCC1 ZINC000237633777 419581232 /nfs/dbraw/zinc/58/12/32/419581232.db2.gz QYZRYGMBTKEVSR-MJBXVCDLSA-N 2 2 299.415 -0.020 20 0 CBADLP C[NH+](C)C[C@H](CO)NC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000647710105 419639530 /nfs/dbraw/zinc/63/95/30/419639530.db2.gz MEWVLYKOPJXLLI-LLVKDONJSA-N 2 2 273.377 -0.864 20 0 CBADLP CO[C@@H]1CS(=O)(=O)[C@H]2C[N@H+](C[C@H]3CC[NH2+]C3)C[C@H]21 ZINC000662313463 419583719 /nfs/dbraw/zinc/58/37/19/419583719.db2.gz LGEKIWNAZVDWGU-YFKTTZPYSA-N 2 2 274.386 -0.660 20 0 CBADLP CO[C@@H]1CS(=O)(=O)[C@H]2C[N@@H+](C[C@H]3CC[NH2+]C3)C[C@H]21 ZINC000662313463 419583731 /nfs/dbraw/zinc/58/37/31/419583731.db2.gz LGEKIWNAZVDWGU-YFKTTZPYSA-N 2 2 274.386 -0.660 20 0 CBADLP C[NH+](C)CCC[C@H]1C[N@H+](CC(=O)N2CCNC2=O)CCO1 ZINC000662318593 419584977 /nfs/dbraw/zinc/58/49/77/419584977.db2.gz CGLMGLNJBYPEIM-LBPRGKRZSA-N 2 2 298.387 -0.419 20 0 CBADLP C[NH+](C)CCC[C@H]1C[N@@H+](CC(=O)N2CCNC2=O)CCO1 ZINC000662318593 419584985 /nfs/dbraw/zinc/58/49/85/419584985.db2.gz CGLMGLNJBYPEIM-LBPRGKRZSA-N 2 2 298.387 -0.419 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)NCCC[NH+]1CCCCC1 ZINC000238105793 419585968 /nfs/dbraw/zinc/58/59/68/419585968.db2.gz MHAXSLHXXOYXHK-UHFFFAOYSA-N 2 2 282.388 -0.590 20 0 CBADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662327806 419586161 /nfs/dbraw/zinc/58/61/61/419586161.db2.gz VRTSDECCGZIKGY-KGLIPLIRSA-N 3 2 273.421 -0.001 20 0 CBADLP C[NH2+]C[C@](C)(O)C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662327806 419586169 /nfs/dbraw/zinc/58/61/69/419586169.db2.gz VRTSDECCGZIKGY-KGLIPLIRSA-N 3 2 273.421 -0.001 20 0 CBADLP O=C(C[C@@H]1CSCC[NH2+]1)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000394381426 544582129 /nfs/dbraw/zinc/58/21/29/544582129.db2.gz RTENYEQVCAVWAB-CHWSQXEVSA-N 2 2 298.456 -0.412 20 0 CBADLP O=C(C[C@@H]1CSCC[NH2+]1)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000394381426 544582133 /nfs/dbraw/zinc/58/21/33/544582133.db2.gz RTENYEQVCAVWAB-CHWSQXEVSA-N 2 2 298.456 -0.412 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000238084125 419586593 /nfs/dbraw/zinc/58/65/93/419586593.db2.gz DFMYZUFYSJWZBV-LBPRGKRZSA-N 2 2 280.372 -0.885 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000238084125 419586607 /nfs/dbraw/zinc/58/66/07/419586607.db2.gz DFMYZUFYSJWZBV-LBPRGKRZSA-N 2 2 280.372 -0.885 20 0 CBADLP [NH3+]CC[N@@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662338950 419588519 /nfs/dbraw/zinc/58/85/19/419588519.db2.gz XOBFITXDKTWFBS-LBPRGKRZSA-N 3 2 278.404 -0.043 20 0 CBADLP [NH3+]CC[N@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662338950 419588528 /nfs/dbraw/zinc/58/85/28/419588528.db2.gz XOBFITXDKTWFBS-LBPRGKRZSA-N 3 2 278.404 -0.043 20 0 CBADLP O=C(CN1CC[NH2+]CC1=O)NC1CC[NH+](C2CC2)CC1 ZINC000238104221 419588552 /nfs/dbraw/zinc/58/85/52/419588552.db2.gz FSAOPISHGCTFRX-UHFFFAOYSA-N 2 2 280.372 -0.839 20 0 CBADLP O=C(NCC[NH+]1CCOCC1)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662349645 419590247 /nfs/dbraw/zinc/59/02/47/419590247.db2.gz HQSUZQQKXRNYPO-LLVKDONJSA-N 2 2 293.371 -0.451 20 0 CBADLP COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000250372091 419596573 /nfs/dbraw/zinc/59/65/73/419596573.db2.gz PHKPTKPWSOHYLX-VXGBXAGGSA-N 2 2 283.372 -0.260 20 0 CBADLP COC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000250372091 419596580 /nfs/dbraw/zinc/59/65/80/419596580.db2.gz PHKPTKPWSOHYLX-VXGBXAGGSA-N 2 2 283.372 -0.260 20 0 CBADLP C[N@H+](CCN1CCCS1(=O)=O)C[C@]1(C)CC[NH2+]C1 ZINC000647518167 419597563 /nfs/dbraw/zinc/59/75/63/419597563.db2.gz KKYVMNFINWWUFA-GFCCVEGCSA-N 2 2 275.418 -0.047 20 0 CBADLP C[N@@H+](CCN1CCCS1(=O)=O)C[C@]1(C)CC[NH2+]C1 ZINC000647518167 419597567 /nfs/dbraw/zinc/59/75/67/419597567.db2.gz KKYVMNFINWWUFA-GFCCVEGCSA-N 2 2 275.418 -0.047 20 0 CBADLP C[C@@H](O)[C@@H](CO)[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000647516800 419598131 /nfs/dbraw/zinc/59/81/31/419598131.db2.gz OSNKHXXOMPATJE-BPLDGKMQSA-N 2 2 282.384 -0.189 20 0 CBADLP C[C@@H](O)[C@@H](CO)[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000647516800 419598139 /nfs/dbraw/zinc/59/81/39/419598139.db2.gz OSNKHXXOMPATJE-BPLDGKMQSA-N 2 2 282.384 -0.189 20 0 CBADLP CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261554962 419598347 /nfs/dbraw/zinc/59/83/47/419598347.db2.gz BDSKZBXEGRBTSL-UWVGGRQHSA-N 2 2 254.334 -0.484 20 0 CBADLP CCNC(=O)NC(=O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261554962 419598354 /nfs/dbraw/zinc/59/83/54/419598354.db2.gz BDSKZBXEGRBTSL-UWVGGRQHSA-N 2 2 254.334 -0.484 20 0 CBADLP C[N@@H+]1CCN(C(=O)Cn2cc(C3CC3)cn2)[C@@H](C[NH3+])C1 ZINC000662427883 419604154 /nfs/dbraw/zinc/60/41/54/419604154.db2.gz DIABOZUESIQCJK-ZDUSSCGKSA-N 2 2 277.372 -0.138 20 0 CBADLP C[N@H+]1CCN(C(=O)Cn2cc(C3CC3)cn2)[C@@H](C[NH3+])C1 ZINC000662427883 419604161 /nfs/dbraw/zinc/60/41/61/419604161.db2.gz DIABOZUESIQCJK-ZDUSSCGKSA-N 2 2 277.372 -0.138 20 0 CBADLP C[N@H+](C[C@H](O)C[NH2+][C@H]1CCCN(CCO)C1=O)C1CC1 ZINC000647531709 419604504 /nfs/dbraw/zinc/60/45/04/419604504.db2.gz URPRSZYKFBWXCF-OLZOCXBDSA-N 2 2 285.388 -0.986 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CCCN(CCO)C1=O)C1CC1 ZINC000647531709 419604507 /nfs/dbraw/zinc/60/45/07/419604507.db2.gz URPRSZYKFBWXCF-OLZOCXBDSA-N 2 2 285.388 -0.986 20 0 CBADLP C[C@H]1C[NH2+]C[C@H]([NH2+]C[C@H]2CCCN2S(C)(=O)=O)C1 ZINC000647549681 419605825 /nfs/dbraw/zinc/60/58/25/419605825.db2.gz NBKRJKYZJXYPHQ-IJLUTSLNSA-N 2 2 275.418 -0.002 20 0 CBADLP C[C@@H](NC(=O)c1cn(CC[NH3+])nn1)[C@H](C)[NH+]1CCOCC1 ZINC000662446538 419607575 /nfs/dbraw/zinc/60/75/75/419607575.db2.gz GGOMWIQXFGEKMO-MNOVXSKESA-N 2 2 296.375 -0.924 20 0 CBADLP CCOCC[NH+]1CCN(C(=O)c2cn(CC[NH3+])nn2)CC1 ZINC000662455025 419609382 /nfs/dbraw/zinc/60/93/82/419609382.db2.gz SUXNIPBMRSBTMR-UHFFFAOYSA-N 2 2 296.375 -0.969 20 0 CBADLP CC(C)OC[C@H]([NH3+])C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000662460862 419612854 /nfs/dbraw/zinc/61/28/54/419612854.db2.gz NESSGEBWHOLBEC-NSHDSACASA-N 2 2 283.376 -0.145 20 0 CBADLP CC[C@@H]([NH2+]C)C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000662481758 419615869 /nfs/dbraw/zinc/61/58/69/419615869.db2.gz BPJZRTHQHFMDIB-SNVBAGLBSA-N 2 2 270.377 -0.608 20 0 CBADLP Cc1cn2c([nH+]1)CN(C(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])CC2 ZINC000647597931 419620349 /nfs/dbraw/zinc/62/03/49/419620349.db2.gz ZTOZMYQTKIFSRR-VHSXEESVSA-N 2 2 293.371 -0.224 20 0 CBADLP O=C(CC[C@@H]1CC[NH2+]C1)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000394377590 544579324 /nfs/dbraw/zinc/57/93/24/544579324.db2.gz DMIDEXCTFSWMSD-KGLIPLIRSA-N 2 2 280.416 -0.118 20 0 CBADLP O=C(CC[C@@H]1CC[NH2+]C1)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000394377590 544579329 /nfs/dbraw/zinc/57/93/29/544579329.db2.gz DMIDEXCTFSWMSD-KGLIPLIRSA-N 2 2 280.416 -0.118 20 0 CBADLP O=C(CCn1cc[nH+]c1)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000647678818 419630609 /nfs/dbraw/zinc/63/06/09/419630609.db2.gz AALNPOLZUGKMAX-CYBMUJFWSA-N 2 2 277.372 -0.221 20 0 CBADLP O=C(CCn1cc[nH+]c1)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000647678818 419630618 /nfs/dbraw/zinc/63/06/18/419630618.db2.gz AALNPOLZUGKMAX-CYBMUJFWSA-N 2 2 277.372 -0.221 20 0 CBADLP O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)[C@H]1CSC[NH2+]1 ZINC000394374415 544579399 /nfs/dbraw/zinc/57/93/99/544579399.db2.gz UKRUBIWJNVGFAB-WDEREUQCSA-N 2 2 270.402 -0.845 20 0 CBADLP O=C(NC[C@H]1C[N@H+]2CCN1CCC2)[C@H]1CSC[NH2+]1 ZINC000394374415 544579402 /nfs/dbraw/zinc/57/94/02/544579402.db2.gz UKRUBIWJNVGFAB-WDEREUQCSA-N 2 2 270.402 -0.845 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]([NH3+])CC(F)F ZINC000662632858 419661048 /nfs/dbraw/zinc/66/10/48/419661048.db2.gz VAXSQQZZIIJCIO-JTQLQIEISA-N 3 2 280.363 -0.031 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]([NH3+])CC(F)F ZINC000662632858 419661054 /nfs/dbraw/zinc/66/10/54/419661054.db2.gz VAXSQQZZIIJCIO-JTQLQIEISA-N 3 2 280.363 -0.031 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H](N)CC[NH+](C)C)[C@@H](C)CO1 ZINC000662635937 419663589 /nfs/dbraw/zinc/66/35/89/419663589.db2.gz WVKFHAXOJCDRJQ-YNEHKIRRSA-N 2 2 286.420 -0.509 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H](N)CC[NH+](C)C)[C@@H](C)CO1 ZINC000662635937 419663593 /nfs/dbraw/zinc/66/35/93/419663593.db2.gz WVKFHAXOJCDRJQ-YNEHKIRRSA-N 2 2 286.420 -0.509 20 0 CBADLP C[C@H](C(=O)Nc1ncccn1)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647835151 419664823 /nfs/dbraw/zinc/66/48/23/419664823.db2.gz OQSJKATVFCGQKA-GFCCVEGCSA-N 2 2 292.387 -0.359 20 0 CBADLP C[C@H](C(=O)Nc1ncccn1)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647835151 419664830 /nfs/dbraw/zinc/66/48/30/419664830.db2.gz OQSJKATVFCGQKA-GFCCVEGCSA-N 2 2 292.387 -0.359 20 0 CBADLP C[C@H](c1nnnn1C1CC1)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647836251 419668823 /nfs/dbraw/zinc/66/88/23/419668823.db2.gz XKRZSLYHIRXHTH-LLVKDONJSA-N 2 2 279.392 -0.094 20 0 CBADLP C[C@H](c1nnnn1C1CC1)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647836251 419668830 /nfs/dbraw/zinc/66/88/30/419668830.db2.gz XKRZSLYHIRXHTH-LLVKDONJSA-N 2 2 279.392 -0.094 20 0 CBADLP C[C@@H](c1nnnn1C1CC1)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647836252 419670410 /nfs/dbraw/zinc/67/04/10/419670410.db2.gz XKRZSLYHIRXHTH-NSHDSACASA-N 2 2 279.392 -0.094 20 0 CBADLP C[C@@H](c1nnnn1C1CC1)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647836252 419670419 /nfs/dbraw/zinc/67/04/19/419670419.db2.gz XKRZSLYHIRXHTH-NSHDSACASA-N 2 2 279.392 -0.094 20 0 CBADLP [NH3+]C1(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CCC1 ZINC000662655559 419670555 /nfs/dbraw/zinc/67/05/55/419670555.db2.gz JLTIGJLGHNIJOL-LLVKDONJSA-N 2 2 253.346 -0.199 20 0 CBADLP C[C@H]([NH3+])[C@H]1C[N@H+](CCC(=O)N2CCOCC2)CCO1 ZINC000647863019 419672476 /nfs/dbraw/zinc/67/24/76/419672476.db2.gz WSPPBDKXFMAYMN-NWDGAFQWSA-N 2 2 271.361 -0.717 20 0 CBADLP C[C@H]([NH3+])[C@H]1C[N@@H+](CCC(=O)N2CCOCC2)CCO1 ZINC000647863019 419672484 /nfs/dbraw/zinc/67/24/84/419672484.db2.gz WSPPBDKXFMAYMN-NWDGAFQWSA-N 2 2 271.361 -0.717 20 0 CBADLP [NH3+]CCCOC1CC[NH+](CC(=O)Nc2ccon2)CC1 ZINC000647859206 419674165 /nfs/dbraw/zinc/67/41/65/419674165.db2.gz VVRYETKWIATPFB-UHFFFAOYSA-N 2 2 282.344 0.443 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000662679572 419677493 /nfs/dbraw/zinc/67/74/93/419677493.db2.gz AJVQEVLSJWYEKU-UTUOFQBUSA-N 2 2 271.361 -0.813 20 0 CBADLP CN(C)c1ccc(CNC(=O)C2(O)C[NH2+]C2)c[nH+]1 ZINC000662679088 419678472 /nfs/dbraw/zinc/67/84/72/419678472.db2.gz KTZPUXDMYTWVIW-UHFFFAOYSA-N 2 2 250.302 -0.902 20 0 CBADLP CC(C)C[C@@H]([NH3+])CN(CCO)CC[NH+]1CCOCC1 ZINC000414696614 544590088 /nfs/dbraw/zinc/59/00/88/544590088.db2.gz GPQPJKRJYOTNEW-CQSZACIVSA-N 2 2 273.421 -0.014 20 0 CBADLP [NH3+]CCOCC[NH+]1CCN(C(=O)N2CCCC2)CC1 ZINC000647874381 419681022 /nfs/dbraw/zinc/68/10/22/419681022.db2.gz PQXJABSMIAQCEE-UHFFFAOYSA-N 2 2 270.377 -0.205 20 0 CBADLP C[N@H+]1CCN(C(=O)[C@H]2CCCc3n[nH]cc32)[C@H](C[NH3+])C1 ZINC000647873514 419681943 /nfs/dbraw/zinc/68/19/43/419681943.db2.gz UYDHXLGDBPGIJB-MNOVXSKESA-N 2 2 277.372 -0.069 20 0 CBADLP C[C@@H]1[C@H](C(=O)N2CC[NH+](C)C[C@@H]2C[NH3+])CC[N@@H+]1C ZINC000647874485 419682009 /nfs/dbraw/zinc/68/20/09/419682009.db2.gz ZSXAAOBIVIZQEM-GRYCIOLGSA-N 3 2 254.378 -0.572 20 0 CBADLP C[C@@H]1[C@H](C(=O)N2CC[NH+](C)C[C@@H]2C[NH3+])CC[N@H+]1C ZINC000647874485 419682015 /nfs/dbraw/zinc/68/20/15/419682015.db2.gz ZSXAAOBIVIZQEM-GRYCIOLGSA-N 3 2 254.378 -0.572 20 0 CBADLP CCN1C(=O)[C@@H]2C[N@H+](C[C@@H]3CC[NH2+]C3)CCN2C1=O ZINC000647891465 419686113 /nfs/dbraw/zinc/68/61/13/419686113.db2.gz HTJFOSZVSRCEQH-MNOVXSKESA-N 2 2 266.345 -0.436 20 0 CBADLP CCN1C(=O)[C@@H]2C[N@@H+](C[C@@H]3CC[NH2+]C3)CCN2C1=O ZINC000647891465 419686118 /nfs/dbraw/zinc/68/61/18/419686118.db2.gz HTJFOSZVSRCEQH-MNOVXSKESA-N 2 2 266.345 -0.436 20 0 CBADLP CO[C@H]1CC[N@H+](CCC(=O)N2CC[NH2+]CC2)[C@H](C[NH3+])C1 ZINC000647907029 419687715 /nfs/dbraw/zinc/68/77/15/419687715.db2.gz ZSEPPLBSIDYLLF-STQMWFEESA-N 3 2 284.404 -0.754 20 0 CBADLP O=C(C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)N1CCNC(=O)C1 ZINC000647901706 419688044 /nfs/dbraw/zinc/68/80/44/419688044.db2.gz UEHVEJGEHBRAEM-QWHCGFSZSA-N 2 2 294.399 -0.591 20 0 CBADLP O=C(C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)N1CCNC(=O)C1 ZINC000647901706 419688046 /nfs/dbraw/zinc/68/80/46/419688046.db2.gz UEHVEJGEHBRAEM-QWHCGFSZSA-N 2 2 294.399 -0.591 20 0 CBADLP CC1([NH3+])CC[NH+](CC(=O)NCCCN2CCCC2=O)CC1 ZINC000647927024 419690622 /nfs/dbraw/zinc/69/06/22/419690622.db2.gz WUSMVUQLXRHDGZ-UHFFFAOYSA-N 2 2 296.415 -0.072 20 0 CBADLP CC[C@H]1C[N@H+](CCNS(=O)(=O)CC)CC[C@@H]1[NH3+] ZINC000647937355 419691275 /nfs/dbraw/zinc/69/12/75/419691275.db2.gz WMEKSOONXCHAKN-QWRGUYRKSA-N 2 2 263.407 -0.015 20 0 CBADLP CC[C@H]1C[N@@H+](CCNS(=O)(=O)CC)CC[C@@H]1[NH3+] ZINC000647937355 419691283 /nfs/dbraw/zinc/69/12/83/419691283.db2.gz WMEKSOONXCHAKN-QWRGUYRKSA-N 2 2 263.407 -0.015 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)[C@@H]2CCC[C@@H]2[NH3+])CCO1 ZINC000662699537 419691329 /nfs/dbraw/zinc/69/13/29/419691329.db2.gz BQOHXFQIZRXXHV-TUAOUCFPSA-N 2 2 255.362 -0.049 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)[C@@H]2CCC[C@@H]2[NH3+])CCO1 ZINC000662699537 419691337 /nfs/dbraw/zinc/69/13/37/419691337.db2.gz BQOHXFQIZRXXHV-TUAOUCFPSA-N 2 2 255.362 -0.049 20 0 CBADLP CC[C@H]1C[N@H+](CC(=O)N2CCNC(=O)C2)CC[C@@H]1[NH3+] ZINC000647937928 419692488 /nfs/dbraw/zinc/69/24/88/419692488.db2.gz FDBHQPFFUCGETE-QWRGUYRKSA-N 2 2 268.361 -0.996 20 0 CBADLP CC[C@H]1C[N@@H+](CC(=O)N2CCNC(=O)C2)CC[C@@H]1[NH3+] ZINC000647937928 419692495 /nfs/dbraw/zinc/69/24/95/419692495.db2.gz FDBHQPFFUCGETE-QWRGUYRKSA-N 2 2 268.361 -0.996 20 0 CBADLP C[NH2+]CCN(C)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000416829116 544590951 /nfs/dbraw/zinc/59/09/51/544590951.db2.gz PLMWOACNELPUQW-UHFFFAOYSA-N 2 2 272.393 -0.042 20 0 CBADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCCN(C(N)=O)CC1 ZINC000647962308 419695273 /nfs/dbraw/zinc/69/52/73/419695273.db2.gz YPKILWZWZBGPLK-GFCCVEGCSA-N 2 2 272.393 -0.226 20 0 CBADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCCN(C(N)=O)CC1 ZINC000647962308 419695276 /nfs/dbraw/zinc/69/52/76/419695276.db2.gz YPKILWZWZBGPLK-GFCCVEGCSA-N 2 2 272.393 -0.226 20 0 CBADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCCN(C(N)=O)CC1 ZINC000647962308 419695286 /nfs/dbraw/zinc/69/52/86/419695286.db2.gz YPKILWZWZBGPLK-GFCCVEGCSA-N 2 2 272.393 -0.226 20 0 CBADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCCN(C(N)=O)CC1 ZINC000647962308 419695291 /nfs/dbraw/zinc/69/52/91/419695291.db2.gz YPKILWZWZBGPLK-GFCCVEGCSA-N 2 2 272.393 -0.226 20 0 CBADLP [NH3+]CCOCC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000662703489 419695252 /nfs/dbraw/zinc/69/52/52/419695252.db2.gz KNEGLWRNEHAVJO-UHFFFAOYSA-N 2 2 285.388 -0.468 20 0 CBADLP CNC(=O)[C@H]1CCC[N@@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC000647960619 419696997 /nfs/dbraw/zinc/69/69/97/419696997.db2.gz AFDQBVZHBBFJIW-NWDGAFQWSA-N 2 2 257.378 -0.102 20 0 CBADLP CNC(=O)[C@H]1CCC[N@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC000647960619 419697010 /nfs/dbraw/zinc/69/70/10/419697010.db2.gz AFDQBVZHBBFJIW-NWDGAFQWSA-N 2 2 257.378 -0.102 20 0 CBADLP CNC(=O)[C@H]1CCC[NH+]1C[C@@H](O)C[N@H+](C)C(C)C ZINC000647960619 419697014 /nfs/dbraw/zinc/69/70/14/419697014.db2.gz AFDQBVZHBBFJIW-NWDGAFQWSA-N 2 2 257.378 -0.102 20 0 CBADLP CNC(=O)[C@H]1CCC[NH+]1C[C@@H](O)C[N@@H+](C)C(C)C ZINC000647960619 419697025 /nfs/dbraw/zinc/69/70/25/419697025.db2.gz AFDQBVZHBBFJIW-NWDGAFQWSA-N 2 2 257.378 -0.102 20 0 CBADLP CNC(=O)[C@@H]1CCC[N@@H+]1C[C@H](O)C[NH+](C)CCOC ZINC000647960823 419697255 /nfs/dbraw/zinc/69/72/55/419697255.db2.gz MHECBDNOTPLZCF-NEPJUHHUSA-N 2 2 273.377 -0.864 20 0 CBADLP CNC(=O)[C@@H]1CCC[N@H+]1C[C@H](O)C[NH+](C)CCOC ZINC000647960823 419697267 /nfs/dbraw/zinc/69/72/67/419697267.db2.gz MHECBDNOTPLZCF-NEPJUHHUSA-N 2 2 273.377 -0.864 20 0 CBADLP CNC(=O)[C@@H]1CCC[NH+]1C[C@H](O)C[N@H+](C)CCOC ZINC000647960823 419697281 /nfs/dbraw/zinc/69/72/81/419697281.db2.gz MHECBDNOTPLZCF-NEPJUHHUSA-N 2 2 273.377 -0.864 20 0 CBADLP CNC(=O)[C@@H]1CCC[NH+]1C[C@H](O)C[N@@H+](C)CCOC ZINC000647960823 419697288 /nfs/dbraw/zinc/69/72/88/419697288.db2.gz MHECBDNOTPLZCF-NEPJUHHUSA-N 2 2 273.377 -0.864 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCCC[C@H]1C(=O)NC ZINC000647967045 419698447 /nfs/dbraw/zinc/69/84/47/419698447.db2.gz OBVGODQISQKQRE-NEPJUHHUSA-N 2 2 257.378 -0.101 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC[C@H]1C(=O)NC ZINC000647967045 419698453 /nfs/dbraw/zinc/69/84/53/419698453.db2.gz OBVGODQISQKQRE-NEPJUHHUSA-N 2 2 257.378 -0.101 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCCC[C@H]1C(=O)NC ZINC000647967045 419698456 /nfs/dbraw/zinc/69/84/56/419698456.db2.gz OBVGODQISQKQRE-NEPJUHHUSA-N 2 2 257.378 -0.101 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCCC[C@H]1C(=O)NC ZINC000647967045 419698464 /nfs/dbraw/zinc/69/84/64/419698464.db2.gz OBVGODQISQKQRE-NEPJUHHUSA-N 2 2 257.378 -0.101 20 0 CBADLP C[C@H](NC(=O)[C@H]1C[C@H]([NH3+])C1)[C@H](C)[NH+]1CCOCC1 ZINC000662721293 419701917 /nfs/dbraw/zinc/70/19/17/419701917.db2.gz TUILYMIJDZVVAY-BJDJZHNGSA-N 2 2 255.362 -0.051 20 0 CBADLP CCNS(=O)(=O)[C@@H]1CC[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647990949 419705761 /nfs/dbraw/zinc/70/57/61/419705761.db2.gz YWESQPBFJBISKN-GHMZBOCLSA-N 2 2 261.391 -0.391 20 0 CBADLP CCNS(=O)(=O)[C@@H]1CC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000647990949 419705771 /nfs/dbraw/zinc/70/57/71/419705771.db2.gz YWESQPBFJBISKN-GHMZBOCLSA-N 2 2 261.391 -0.391 20 0 CBADLP O=C(N1CCC(c2c[nH+]c[nH]2)CC1)C1(O)C[NH2+]C1 ZINC000662736583 419708212 /nfs/dbraw/zinc/70/82/12/419708212.db2.gz JCVMWNKYLJDWNP-UHFFFAOYSA-N 2 2 250.302 -0.550 20 0 CBADLP O=C(N1CCC(c2c[nH]c[nH+]2)CC1)C1(O)C[NH2+]C1 ZINC000662736583 419708219 /nfs/dbraw/zinc/70/82/19/419708219.db2.gz JCVMWNKYLJDWNP-UHFFFAOYSA-N 2 2 250.302 -0.550 20 0 CBADLP Cn1cc(C[NH+]2CCN(C(=O)CC3([NH3+])CC3)CC2)cn1 ZINC000662758191 419711274 /nfs/dbraw/zinc/71/12/74/419711274.db2.gz QCWRTUUEXORVHT-UHFFFAOYSA-N 2 2 277.372 -0.054 20 0 CBADLP COCC[NH+]1CCC([NH2+][C@@H]2CCCNC2=O)CC1 ZINC000330674180 419650065 /nfs/dbraw/zinc/65/00/65/419650065.db2.gz HYKQYXSYCQIVRC-GFCCVEGCSA-N 2 2 255.362 -0.035 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)[C@]23C[NH2+]C[C@H]2COC3)[C@@H](C)CO1 ZINC000662633470 419656697 /nfs/dbraw/zinc/65/66/97/419656697.db2.gz LBOCCGLLMHHXQF-ABHRYQDASA-N 2 2 297.399 -0.552 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)[C@]23C[NH2+]C[C@H]2COC3)[C@@H](C)CO1 ZINC000662633470 419656703 /nfs/dbraw/zinc/65/67/03/419656703.db2.gz LBOCCGLLMHHXQF-ABHRYQDASA-N 2 2 297.399 -0.552 20 0 CBADLP CC(C)[C@@H]([NH3+])C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000662632603 419657015 /nfs/dbraw/zinc/65/70/15/419657015.db2.gz REDFSKUYLGOFGF-GFCCVEGCSA-N 3 2 258.410 -0.031 20 0 CBADLP CC(C)[C@@H]([NH3+])C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000662632603 419657022 /nfs/dbraw/zinc/65/70/22/419657022.db2.gz REDFSKUYLGOFGF-GFCCVEGCSA-N 3 2 258.410 -0.031 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000405202145 544588761 /nfs/dbraw/zinc/58/87/61/544588761.db2.gz BHBCUZSGHGMBJI-WDEREUQCSA-N 2 2 250.302 -0.840 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000405202145 544588766 /nfs/dbraw/zinc/58/87/66/544588766.db2.gz BHBCUZSGHGMBJI-WDEREUQCSA-N 2 2 250.302 -0.840 20 0 CBADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000662633472 419657850 /nfs/dbraw/zinc/65/78/50/419657850.db2.gz LBOCCGLLMHHXQF-OSFYFWSMSA-N 2 2 297.399 -0.552 20 0 CBADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000662633472 419657854 /nfs/dbraw/zinc/65/78/54/419657854.db2.gz LBOCCGLLMHHXQF-OSFYFWSMSA-N 2 2 297.399 -0.552 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)[C@H]2C[NH2+]CCO2)[C@@H](C)CO1 ZINC000662633999 419659176 /nfs/dbraw/zinc/65/91/76/419659176.db2.gz POJPWZNOUAVBRC-SDDRHHMPSA-N 2 2 271.361 -0.800 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)[C@H]2C[NH2+]CCO2)[C@@H](C)CO1 ZINC000662633999 419659183 /nfs/dbraw/zinc/65/91/83/419659183.db2.gz POJPWZNOUAVBRC-SDDRHHMPSA-N 2 2 271.361 -0.800 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000662633689 419659421 /nfs/dbraw/zinc/65/94/21/419659421.db2.gz NXSQNLXYVUUNCO-CYBMUJFWSA-N 3 2 286.420 -0.635 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000662633689 419659425 /nfs/dbraw/zinc/65/94/25/419659425.db2.gz NXSQNLXYVUUNCO-CYBMUJFWSA-N 3 2 286.420 -0.635 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)C[NH2+]C2CC2)[C@@H](C)CO1 ZINC000662629670 419659724 /nfs/dbraw/zinc/65/97/24/419659724.db2.gz GFUJPLZIFIDJQM-QWRGUYRKSA-N 2 2 255.362 -0.036 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)C[NH2+]C2CC2)[C@@H](C)CO1 ZINC000662629670 419659732 /nfs/dbraw/zinc/65/97/32/419659732.db2.gz GFUJPLZIFIDJQM-QWRGUYRKSA-N 2 2 255.362 -0.036 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)COC2CC[NH2+]CC2)[C@@H](C)CO1 ZINC000662632993 419660576 /nfs/dbraw/zinc/66/05/76/419660576.db2.gz IDDMZSPRLBDEMX-STQMWFEESA-N 2 2 299.415 -0.020 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)COC2CC[NH2+]CC2)[C@@H](C)CO1 ZINC000662632993 419660581 /nfs/dbraw/zinc/66/05/81/419660581.db2.gz IDDMZSPRLBDEMX-STQMWFEESA-N 2 2 299.415 -0.020 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)COC1(C)C[NH2+]C1 ZINC000662857535 419750408 /nfs/dbraw/zinc/75/04/08/419750408.db2.gz OCUKQHNKGDRZDZ-UHFFFAOYSA-N 3 2 286.420 -0.635 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)COC1(C)C[NH2+]C1 ZINC000662857535 419750416 /nfs/dbraw/zinc/75/04/16/419750416.db2.gz OCUKQHNKGDRZDZ-UHFFFAOYSA-N 3 2 286.420 -0.635 20 0 CBADLP CO[C@H]1C[NH2+][C@@H](C(=O)NCC[N@@H+]2C[C@H](C)OC[C@H]2C)C1 ZINC000662857930 419753461 /nfs/dbraw/zinc/75/34/61/419753461.db2.gz CZBOYENYWRXEHM-YVECIDJPSA-N 2 2 285.388 -0.411 20 0 CBADLP CO[C@H]1C[NH2+][C@@H](C(=O)NCC[N@H+]2C[C@H](C)OC[C@H]2C)C1 ZINC000662857930 419753465 /nfs/dbraw/zinc/75/34/65/419753465.db2.gz CZBOYENYWRXEHM-YVECIDJPSA-N 2 2 285.388 -0.411 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]2C[C@@H]([NH3+])C2)[C@@H](C)CO1 ZINC000662860694 419757005 /nfs/dbraw/zinc/75/70/05/419757005.db2.gz UFZCYJYYTLRNBL-WHOHXGKFSA-N 2 2 255.362 -0.051 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2C[C@@H]([NH3+])C2)[C@@H](C)CO1 ZINC000662860694 419757013 /nfs/dbraw/zinc/75/70/13/419757013.db2.gz UFZCYJYYTLRNBL-WHOHXGKFSA-N 2 2 255.362 -0.051 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1CSC[NH2+]1 ZINC000662860931 419758062 /nfs/dbraw/zinc/75/80/62/419758062.db2.gz VPFFUFKCKSXOBR-NSHDSACASA-N 3 2 274.434 -0.351 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1CSC[NH2+]1 ZINC000662860931 419758073 /nfs/dbraw/zinc/75/80/73/419758073.db2.gz VPFFUFKCKSXOBR-NSHDSACASA-N 3 2 274.434 -0.351 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2COCC[NH2+]2)[C@@H](C)CO1 ZINC000662861311 419758122 /nfs/dbraw/zinc/75/81/22/419758122.db2.gz ZXNDQTZAFCLRIA-TUAOUCFPSA-N 2 2 271.361 -0.800 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2COCC[NH2+]2)[C@@H](C)CO1 ZINC000662861311 419758129 /nfs/dbraw/zinc/75/81/29/419758129.db2.gz ZXNDQTZAFCLRIA-TUAOUCFPSA-N 2 2 271.361 -0.800 20 0 CBADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000431021338 544593387 /nfs/dbraw/zinc/59/33/87/544593387.db2.gz IMRJWLUSLDPQPU-UPJWGTAASA-N 2 2 268.405 -0.134 20 0 CBADLP CC[C@@H]1CN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)C[C@@H]1[NH+]1CCOCC1 ZINC000648166041 419764224 /nfs/dbraw/zinc/76/42/24/419764224.db2.gz FMHUQBIFECKOII-RQJABVFESA-N 2 2 297.399 -0.722 20 0 CBADLP C[C@H](NC(=O)COC1(C)C[NH2+]C1)c1[nH+]ccn1C ZINC000662934295 419780455 /nfs/dbraw/zinc/78/04/55/419780455.db2.gz MWLNQHITDJMCNY-VIFPVBQESA-N 2 2 252.318 -0.024 20 0 CBADLP C[C@H](NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)c1[nH+]ccn1C ZINC000662932801 419782463 /nfs/dbraw/zinc/78/24/63/419782463.db2.gz GFTXFFUDUXBVKY-WDEREUQCSA-N 2 2 293.371 -0.144 20 0 CBADLP O=C(N1CC[NH+](Cc2cccc(F)c2)CC1)C1(O)C[NH2+]C1 ZINC000662787109 419722753 /nfs/dbraw/zinc/72/27/53/419722753.db2.gz FNROQUXSBSMYJZ-UHFFFAOYSA-N 2 2 293.342 -0.196 20 0 CBADLP C[C@H](NC(=O)CCc1c[nH+]c[nH]1)C(=O)NCC[NH+](C)C ZINC000515389028 544601857 /nfs/dbraw/zinc/60/18/57/544601857.db2.gz LMZJINKNYQFPCU-JTQLQIEISA-N 2 2 281.360 -0.475 20 0 CBADLP C[C@H](NC(=O)CCc1c[nH]c[nH+]1)C(=O)NCC[NH+](C)C ZINC000515389028 544601864 /nfs/dbraw/zinc/60/18/64/544601864.db2.gz LMZJINKNYQFPCU-JTQLQIEISA-N 2 2 281.360 -0.475 20 0 CBADLP CCS(=O)(=O)C1(C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000663363594 419835002 /nfs/dbraw/zinc/83/50/02/419835002.db2.gz FIRAGYNTLQYZMR-GFCCVEGCSA-N 2 2 290.429 -0.002 20 0 CBADLP CCS(=O)(=O)C1(C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000663363594 419835008 /nfs/dbraw/zinc/83/50/08/419835008.db2.gz FIRAGYNTLQYZMR-GFCCVEGCSA-N 2 2 290.429 -0.002 20 0 CBADLP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)CCn1cc[nH+]c1 ZINC000649075463 419837406 /nfs/dbraw/zinc/83/74/06/419837406.db2.gz DBGYJMMMNQKFOH-GFCCVEGCSA-N 2 2 293.371 -0.148 20 0 CBADLP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000662947509 419789045 /nfs/dbraw/zinc/78/90/45/419789045.db2.gz RNQRNPLHMFCVMR-NSHDSACASA-N 2 2 279.344 -0.422 20 0 CBADLP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000662947509 419789048 /nfs/dbraw/zinc/78/90/48/419789048.db2.gz RNQRNPLHMFCVMR-NSHDSACASA-N 2 2 279.344 -0.422 20 0 CBADLP C[NH2+]C[C@@H](C)NC(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000662965301 419795633 /nfs/dbraw/zinc/79/56/33/419795633.db2.gz NVNSTAKLPULDHH-SNVBAGLBSA-N 2 2 258.366 -0.833 20 0 CBADLP C[NH2+]C[C@@H](C)NC(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000662965301 419795639 /nfs/dbraw/zinc/79/56/39/419795639.db2.gz NVNSTAKLPULDHH-SNVBAGLBSA-N 2 2 258.366 -0.833 20 0 CBADLP C[C@@H]1CCCN(C(=O)C(=O)N(C)Cc2c[nH+]c[nH]2)[C@H]1C[NH3+] ZINC000662959168 419795812 /nfs/dbraw/zinc/79/58/12/419795812.db2.gz ZYJYDNJPQLOKOE-PWSUYJOCSA-N 2 2 293.371 -0.046 20 0 CBADLP C[C@@H]1CCCN(C(=O)C(=O)N(C)Cc2c[nH]c[nH+]2)[C@H]1C[NH3+] ZINC000662959168 419795816 /nfs/dbraw/zinc/79/58/16/419795816.db2.gz ZYJYDNJPQLOKOE-PWSUYJOCSA-N 2 2 293.371 -0.046 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649293759 419865499 /nfs/dbraw/zinc/86/54/99/419865499.db2.gz IHMBFGQMRIXHCZ-NNYUYHANSA-N 2 2 253.346 -0.711 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649293760 419867202 /nfs/dbraw/zinc/86/72/02/419867202.db2.gz IHMBFGQMRIXHCZ-WYUUTHIRSA-N 2 2 253.346 -0.711 20 0 CBADLP CCOC[C@H](O)C[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000355379749 419868255 /nfs/dbraw/zinc/86/82/55/419868255.db2.gz FYETVKHMDSPRFR-CYBMUJFWSA-N 2 2 260.378 -0.228 20 0 CBADLP CCOC[C@H](O)C[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000355379749 419868258 /nfs/dbraw/zinc/86/82/58/419868258.db2.gz FYETVKHMDSPRFR-CYBMUJFWSA-N 2 2 260.378 -0.228 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)COC2CC[NH2+]CC2)CCO1 ZINC000649312295 419873332 /nfs/dbraw/zinc/87/33/32/419873332.db2.gz FYRFBIKRAOKZEH-LBPRGKRZSA-N 2 2 285.388 -0.408 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)COC2CC[NH2+]CC2)CCO1 ZINC000649312295 419873339 /nfs/dbraw/zinc/87/33/39/419873339.db2.gz FYRFBIKRAOKZEH-LBPRGKRZSA-N 2 2 285.388 -0.408 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)COC2(C)C[NH2+]C2)CCO1 ZINC000649312137 419875064 /nfs/dbraw/zinc/87/50/64/419875064.db2.gz SMFAQGVWVCLSAK-LLVKDONJSA-N 2 2 271.361 -0.798 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)COC2(C)C[NH2+]C2)CCO1 ZINC000649312137 419875067 /nfs/dbraw/zinc/87/50/67/419875067.db2.gz SMFAQGVWVCLSAK-LLVKDONJSA-N 2 2 271.361 -0.798 20 0 CBADLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649320654 419884620 /nfs/dbraw/zinc/88/46/20/419884620.db2.gz SLDUXMZHGBTIRR-GDNZZTSVSA-N 2 2 267.373 -0.321 20 0 CBADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649320654 419884623 /nfs/dbraw/zinc/88/46/23/419884623.db2.gz SLDUXMZHGBTIRR-GDNZZTSVSA-N 2 2 267.373 -0.321 20 0 CBADLP C[C@@H](C[NH3+])C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000357259444 419886251 /nfs/dbraw/zinc/88/62/51/419886251.db2.gz UEDWZYWFLDVXEN-NSHDSACASA-N 2 2 281.360 -0.251 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H]3COCC[NH2+]3)C2)CC1 ZINC000649334041 419893747 /nfs/dbraw/zinc/89/37/47/419893747.db2.gz DARXMUJAGAIODI-OCCSQVGLSA-N 3 2 296.415 -0.741 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H]3COCC[NH2+]3)C2)CC1 ZINC000649334041 419893752 /nfs/dbraw/zinc/89/37/52/419893752.db2.gz DARXMUJAGAIODI-OCCSQVGLSA-N 3 2 296.415 -0.741 20 0 CBADLP OCCC[NH+]1CCN(c2nc[nH+]c3c2OCCN3)CC1 ZINC000665696510 544613341 /nfs/dbraw/zinc/61/33/41/544613341.db2.gz AJXDPWVDHHGENG-UHFFFAOYSA-N 2 2 279.344 -0.215 20 0 CBADLP CN1C[C@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)CC1=O ZINC000664331256 419898873 /nfs/dbraw/zinc/89/88/73/419898873.db2.gz PAYUQMKKBXUEQH-GFCCVEGCSA-N 2 2 299.419 -0.600 20 0 CBADLP CN1C[C@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)CC1=O ZINC000664331256 419898877 /nfs/dbraw/zinc/89/88/77/419898877.db2.gz PAYUQMKKBXUEQH-GFCCVEGCSA-N 2 2 299.419 -0.600 20 0 CBADLP COCc1nc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)no1 ZINC000664332482 419898919 /nfs/dbraw/zinc/89/89/19/419898919.db2.gz YXBZPKQZIIIFOV-UHFFFAOYSA-N 2 2 299.375 -0.171 20 0 CBADLP COCc1nc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)no1 ZINC000664332482 419898924 /nfs/dbraw/zinc/89/89/24/419898924.db2.gz YXBZPKQZIIIFOV-UHFFFAOYSA-N 2 2 299.375 -0.171 20 0 CBADLP CCNC(=O)C[NH+]1CCN(Cc2c[nH+]c(C)n2C)CC1 ZINC000667497570 544665654 /nfs/dbraw/zinc/66/56/54/544665654.db2.gz GZRXVCOVGGFCMR-UHFFFAOYSA-N 2 2 279.388 -0.018 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)C1([NH+](C)C)CC1 ZINC000668000301 544681204 /nfs/dbraw/zinc/68/12/04/544681204.db2.gz DGCQNOKASMWNHA-UHFFFAOYSA-N 2 2 255.362 -0.129 20 0 CBADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)COC1(C)C[NH2+]C1 ZINC000649352109 419903908 /nfs/dbraw/zinc/90/39/08/419903908.db2.gz RZERIOKKMBRFCB-GFCCVEGCSA-N 2 2 284.404 -0.883 20 0 CBADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649352160 419904649 /nfs/dbraw/zinc/90/46/49/419904649.db2.gz XXGFOZDXLALBID-WUHRBBMRSA-N 2 2 266.389 -0.796 20 0 CBADLP O=C(CN1CCOCC1)N1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000649411311 419909655 /nfs/dbraw/zinc/90/96/55/419909655.db2.gz HDQFUBZPRVOTIJ-CQSZACIVSA-N 2 2 296.415 -0.928 20 0 CBADLP Cn1ccnc(N2CC[NH+](C[C@H]3CC[NH2+]C3)CC2)c1=O ZINC000649413783 419910457 /nfs/dbraw/zinc/91/04/57/419910457.db2.gz DJEWDLGRHKBIPU-LBPRGKRZSA-N 2 2 277.372 -0.488 20 0 CBADLP Cc1[nH+]cc(CN2CC([N@@H+]3CC[C@@H](O)C3)C2)n1C ZINC000668287868 544691643 /nfs/dbraw/zinc/69/16/43/544691643.db2.gz MBLYUUITYAJBFX-CYBMUJFWSA-N 2 2 250.346 -0.021 20 0 CBADLP Cc1[nH+]cc(CN2CC([N@H+]3CC[C@@H](O)C3)C2)n1C ZINC000668287868 544691647 /nfs/dbraw/zinc/69/16/47/544691647.db2.gz MBLYUUITYAJBFX-CYBMUJFWSA-N 2 2 250.346 -0.021 20 0 CBADLP Cn1cc(C[N@H+](C)CC2C[NH+](C)C2)c(=O)n(C)c1=O ZINC000668537221 544706425 /nfs/dbraw/zinc/70/64/25/544706425.db2.gz BIQDCLSMTXVAHF-UHFFFAOYSA-N 2 2 266.345 -0.923 20 0 CBADLP Cn1cc(C[N@@H+](C)CC2C[NH+](C)C2)c(=O)n(C)c1=O ZINC000668537221 544706429 /nfs/dbraw/zinc/70/64/29/544706429.db2.gz BIQDCLSMTXVAHF-UHFFFAOYSA-N 2 2 266.345 -0.923 20 0 CBADLP COC[C@@H](OC)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000668638916 544711506 /nfs/dbraw/zinc/71/15/06/544711506.db2.gz COHIJFZIDHVQMZ-TZMCWYRMSA-N 2 2 299.415 -0.068 20 0 CBADLP COC[C@@H](OC)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000668638916 544711514 /nfs/dbraw/zinc/71/15/14/544711514.db2.gz COHIJFZIDHVQMZ-TZMCWYRMSA-N 2 2 299.415 -0.068 20 0 CBADLP COCC[NH+]1CCN(C(=O)C2([NH+](C)C)CC2)CC1 ZINC000668669246 544714736 /nfs/dbraw/zinc/71/47/36/544714736.db2.gz PDDVPRWJMQTGFG-UHFFFAOYSA-N 2 2 255.362 -0.129 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NCC[NH2+]C1CC1 ZINC000669323357 544746166 /nfs/dbraw/zinc/74/61/66/544746166.db2.gz YKFRTEFOYZDWDE-LLVKDONJSA-N 2 2 270.377 -0.242 20 0 CBADLP CC1(C)COCC[N@@H+]1CCNC(=O)NC/C=C\C[NH3+] ZINC000669457156 544749456 /nfs/dbraw/zinc/74/94/56/544749456.db2.gz UYAUJLZBVKMELW-ARJAWSKDSA-N 2 2 270.377 -0.089 20 0 CBADLP CC1(C)COCC[N@H+]1CCNC(=O)NC/C=C\C[NH3+] ZINC000669457156 544749461 /nfs/dbraw/zinc/74/94/61/544749461.db2.gz UYAUJLZBVKMELW-ARJAWSKDSA-N 2 2 270.377 -0.089 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000669461721 544749895 /nfs/dbraw/zinc/74/98/95/544749895.db2.gz WVKBHOMLSDWKAU-MGPQQGTHSA-N 2 2 296.415 -0.042 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000669461721 544749897 /nfs/dbraw/zinc/74/98/97/544749897.db2.gz WVKBHOMLSDWKAU-MGPQQGTHSA-N 2 2 296.415 -0.042 20 0 CBADLP C[N@@H+]1CCN(C(=O)CC[C@@H]2CCC[NH2+]2)[C@@H](C[NH3+])C1 ZINC000669512576 544751623 /nfs/dbraw/zinc/75/16/23/544751623.db2.gz FDUZYRVFWJKQRN-RYUDHWBXSA-N 3 2 254.378 -0.380 20 0 CBADLP C[N@H+]1CCN(C(=O)CC[C@@H]2CCC[NH2+]2)[C@@H](C[NH3+])C1 ZINC000669512576 544751630 /nfs/dbraw/zinc/75/16/30/544751630.db2.gz FDUZYRVFWJKQRN-RYUDHWBXSA-N 3 2 254.378 -0.380 20 0 CBADLP C[C@@H]1C[C@H](NC(=O)N2CC[NH+](C)C[C@H]2C[NH3+])C[N@@H+]1C1CC1 ZINC000669524698 544752735 /nfs/dbraw/zinc/75/27/35/544752735.db2.gz ZIANSXUTKKJTKZ-MBNYWOFBSA-N 3 2 295.431 -0.104 20 0 CBADLP C[C@@H]1C[C@H](NC(=O)N2CC[NH+](C)C[C@H]2C[NH3+])C[N@H+]1C1CC1 ZINC000669524698 544752738 /nfs/dbraw/zinc/75/27/38/544752738.db2.gz ZIANSXUTKKJTKZ-MBNYWOFBSA-N 3 2 295.431 -0.104 20 0 CBADLP C[C@@H]1C[C@H](NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])C[NH+]1C1CC1 ZINC000669524698 544752740 /nfs/dbraw/zinc/75/27/40/544752740.db2.gz ZIANSXUTKKJTKZ-MBNYWOFBSA-N 3 2 295.431 -0.104 20 0 CBADLP C[C@@H]1C[C@H](NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])C[NH+]1C1CC1 ZINC000669524698 544752742 /nfs/dbraw/zinc/75/27/42/544752742.db2.gz ZIANSXUTKKJTKZ-MBNYWOFBSA-N 3 2 295.431 -0.104 20 0 CBADLP C[N@@H+]1CCN(C(=O)NC[C@@]2(C)CCCO2)[C@H](C[NH3+])C1 ZINC000669525205 544753029 /nfs/dbraw/zinc/75/30/29/544753029.db2.gz LSMWRHRHNQHLKO-DGCLKSJQSA-N 2 2 270.377 -0.160 20 0 CBADLP C[N@H+]1CCN(C(=O)NC[C@@]2(C)CCCO2)[C@H](C[NH3+])C1 ZINC000669525205 544753031 /nfs/dbraw/zinc/75/30/31/544753031.db2.gz LSMWRHRHNQHLKO-DGCLKSJQSA-N 2 2 270.377 -0.160 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@H]1[C@@H]2COC[C@@H]21 ZINC000664795310 419917199 /nfs/dbraw/zinc/91/71/99/419917199.db2.gz VTPIGGMZGPGAJZ-ITGUQSILSA-N 2 2 284.404 -0.186 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@H]1[C@@H]2COC[C@@H]21 ZINC000664795310 419917202 /nfs/dbraw/zinc/91/72/02/419917202.db2.gz VTPIGGMZGPGAJZ-ITGUQSILSA-N 2 2 284.404 -0.186 20 0 CBADLP CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000358792510 419918239 /nfs/dbraw/zinc/91/82/39/419918239.db2.gz QZQMEQQBGFSFQF-NWDGAFQWSA-N 2 2 285.388 -0.062 20 0 CBADLP C[NH+](C)[C@H]1CN(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)C[C@@H]1O ZINC000664925755 419918768 /nfs/dbraw/zinc/91/87/68/419918768.db2.gz BEWSKYOJIWOLCB-ICCXJUOJSA-N 2 2 293.371 -0.417 20 0 CBADLP COC[C@@H]1C[C@@H](O)C[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000649744498 419928287 /nfs/dbraw/zinc/92/82/87/419928287.db2.gz ATUWBEUYMQEOPF-YNEHKIRRSA-N 2 2 258.362 -0.477 20 0 CBADLP COC[C@@H]1C[C@@H](O)C[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000649744498 419928292 /nfs/dbraw/zinc/92/82/92/419928292.db2.gz ATUWBEUYMQEOPF-YNEHKIRRSA-N 2 2 258.362 -0.477 20 0 CBADLP COC[C@@H]1C[C@@H](O)C[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000649744498 419928296 /nfs/dbraw/zinc/92/82/96/419928296.db2.gz ATUWBEUYMQEOPF-YNEHKIRRSA-N 2 2 258.362 -0.477 20 0 CBADLP COC[C@@H]1C[C@@H](O)C[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000649744498 419928302 /nfs/dbraw/zinc/92/83/02/419928302.db2.gz ATUWBEUYMQEOPF-YNEHKIRRSA-N 2 2 258.362 -0.477 20 0 CBADLP C[N@@H+]1CCC[C@H](NC(=O)C(=O)NCCn2cc[nH+]c2)C1 ZINC000670639901 544797171 /nfs/dbraw/zinc/79/71/71/544797171.db2.gz ZDANYMNGOHZNCN-NSHDSACASA-N 2 2 279.344 -0.790 20 0 CBADLP C[N@H+]1CCC[C@H](NC(=O)C(=O)NCCn2cc[nH+]c2)C1 ZINC000670639901 544797173 /nfs/dbraw/zinc/79/71/73/544797173.db2.gz ZDANYMNGOHZNCN-NSHDSACASA-N 2 2 279.344 -0.790 20 0 CBADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@H](C)S(C)(=O)=O ZINC000665299634 419937228 /nfs/dbraw/zinc/93/72/28/419937228.db2.gz QRJQXXQTSZWZAQ-VWYCJHECSA-N 2 2 264.391 -0.224 20 0 CBADLP C[NH+](C)CCOCCNC(=O)N1CCn2c[nH+]cc2C1 ZINC000359144592 419943940 /nfs/dbraw/zinc/94/39/40/419943940.db2.gz OOCMYFCPJOUREG-UHFFFAOYSA-N 2 2 281.360 -0.014 20 0 CBADLP CCC[C@H]1C[NH2+]CCN1C(=O)CN1CC[NH2+]CC1=O ZINC000359187985 419947484 /nfs/dbraw/zinc/94/74/84/419947484.db2.gz BUQFBCOFWSCGMU-NSHDSACASA-N 2 2 268.361 -0.981 20 0 CBADLP CCO[C@@H]1COC[C@H]1[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000650240666 419948732 /nfs/dbraw/zinc/94/87/32/419948732.db2.gz GWFXPBNULZQFEP-YNEHKIRRSA-N 2 2 258.362 -0.163 20 0 CBADLP CC[C@@H]1C[N@@H+]([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)CCO1 ZINC000359223659 419949283 /nfs/dbraw/zinc/94/92/83/419949283.db2.gz JTRDAGSNRRFMQS-NEPJUHHUSA-N 2 2 283.372 -0.214 20 0 CBADLP CC[C@@H]1C[N@H+]([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)CCO1 ZINC000359223659 419949285 /nfs/dbraw/zinc/94/92/85/419949285.db2.gz JTRDAGSNRRFMQS-NEPJUHHUSA-N 2 2 283.372 -0.214 20 0 CBADLP C[C@@H]1[C@H](O)CC[N@@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000650186626 419949544 /nfs/dbraw/zinc/94/95/44/419949544.db2.gz XCSSMGIIPBLGNE-CHWSQXEVSA-N 2 2 299.415 -0.332 20 0 CBADLP C[C@@H]1[C@H](O)CC[N@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000650186626 419949548 /nfs/dbraw/zinc/94/95/48/419949548.db2.gz XCSSMGIIPBLGNE-CHWSQXEVSA-N 2 2 299.415 -0.332 20 0 CBADLP O=C(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)NCCCN1CCCC1=O ZINC000359276010 419953504 /nfs/dbraw/zinc/95/35/04/419953504.db2.gz LOMVZJUBYCDDFB-STQMWFEESA-N 2 2 294.399 -0.734 20 0 CBADLP CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000359313419 419958557 /nfs/dbraw/zinc/95/85/57/419958557.db2.gz VZZKDBZVTDPUGY-FPMFFAJLSA-N 2 2 294.399 -0.783 20 0 CBADLP CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000359313419 419958563 /nfs/dbraw/zinc/95/85/63/419958563.db2.gz VZZKDBZVTDPUGY-FPMFFAJLSA-N 2 2 294.399 -0.783 20 0 CBADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCCNS(C)(=O)=O ZINC000359677566 419978726 /nfs/dbraw/zinc/97/87/26/419978726.db2.gz MQFDZTMZVPPSLN-PWSUYJOCSA-N 2 2 275.418 -0.002 20 0 CBADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCCNS(C)(=O)=O ZINC000359677566 419978730 /nfs/dbraw/zinc/97/87/30/419978730.db2.gz MQFDZTMZVPPSLN-PWSUYJOCSA-N 2 2 275.418 -0.002 20 0 CBADLP C[C@](O)(CNC(=O)CCn1cc[nH+]c1)C[NH+]1CCOCC1 ZINC000359836607 419990637 /nfs/dbraw/zinc/99/06/37/419990637.db2.gz YMPDBZBVLDYJNG-AWEZNQCLSA-N 2 2 296.371 -0.527 20 0 CBADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000360142640 420007335 /nfs/dbraw/zinc/00/73/35/420007335.db2.gz NYQVVNJBIYZRRA-CHWSQXEVSA-N 2 2 284.404 -0.931 20 0 CBADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000360142640 420007339 /nfs/dbraw/zinc/00/73/39/420007339.db2.gz NYQVVNJBIYZRRA-CHWSQXEVSA-N 2 2 284.404 -0.931 20 0 CBADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000360142641 420008068 /nfs/dbraw/zinc/00/80/68/420008068.db2.gz NYQVVNJBIYZRRA-OLZOCXBDSA-N 2 2 284.404 -0.931 20 0 CBADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000360142641 420008072 /nfs/dbraw/zinc/00/80/72/420008072.db2.gz NYQVVNJBIYZRRA-OLZOCXBDSA-N 2 2 284.404 -0.931 20 0 CBADLP C[NH+](C)CCN1CCN(c2nc[nH+]c(N)c2Cl)CC1=O ZINC000651382951 420008918 /nfs/dbraw/zinc/00/89/18/420008918.db2.gz BFRONGZICFUTTO-UHFFFAOYSA-N 2 2 298.778 -0.078 20 0 CBADLP CN(C)c1nc(N2CC([N@@H+]3CC[C@@H](O)C3)C2)cc[nH+]1 ZINC000651452642 420013668 /nfs/dbraw/zinc/01/36/68/420013668.db2.gz SZXHCCNGWMNDMU-LLVKDONJSA-N 2 2 263.345 -0.202 20 0 CBADLP CN(C)c1nc(N2CC([N@H+]3CC[C@@H](O)C3)C2)cc[nH+]1 ZINC000651452642 420013671 /nfs/dbraw/zinc/01/36/71/420013671.db2.gz SZXHCCNGWMNDMU-LLVKDONJSA-N 2 2 263.345 -0.202 20 0 CBADLP C[C@H](O)CNc1cc(N2CC([N@@H+]3CC[C@@H](O)C3)C2)nc[nH+]1 ZINC000651452353 420014429 /nfs/dbraw/zinc/01/44/29/420014429.db2.gz IMUIKJQMCLMLHE-CMPLNLGQSA-N 2 2 293.371 -0.476 20 0 CBADLP C[C@H](O)CNc1cc(N2CC([N@H+]3CC[C@@H](O)C3)C2)nc[nH+]1 ZINC000651452353 420014433 /nfs/dbraw/zinc/01/44/33/420014433.db2.gz IMUIKJQMCLMLHE-CMPLNLGQSA-N 2 2 293.371 -0.476 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2)[NH+]1CCOCC1 ZINC000364591089 420042205 /nfs/dbraw/zinc/04/22/05/420042205.db2.gz RVVMIRLPFVPBOJ-MBNYWOFBSA-N 2 2 267.373 -0.177 20 0 CBADLP COC(=O)[C@H]1C[C@H](NC(=O)C[N@H+](C)C(C)C)C[NH2+]1 ZINC000365756573 420069628 /nfs/dbraw/zinc/06/96/28/420069628.db2.gz FWXDCJBFQYXSIL-VHSXEESVSA-N 2 2 257.334 -0.654 20 0 CBADLP COC(=O)[C@H]1C[C@H](NC(=O)C[N@@H+](C)C(C)C)C[NH2+]1 ZINC000365756573 420069632 /nfs/dbraw/zinc/06/96/32/420069632.db2.gz FWXDCJBFQYXSIL-VHSXEESVSA-N 2 2 257.334 -0.654 20 0 CBADLP CN1CC[N@H+](C)[C@@H](CNC(=O)NCCC2CC[NH2+]CC2)C1 ZINC000652150404 420049320 /nfs/dbraw/zinc/04/93/20/420049320.db2.gz VKWXWSHUDXIJLU-AWEZNQCLSA-N 2 2 297.447 -0.079 20 0 CBADLP CN1CC[N@@H+](C)[C@@H](CNC(=O)NCCC2CC[NH2+]CC2)C1 ZINC000652150404 420049326 /nfs/dbraw/zinc/04/93/26/420049326.db2.gz VKWXWSHUDXIJLU-AWEZNQCLSA-N 2 2 297.447 -0.079 20 0 CBADLP COCCOCC[NH+]1CCN(C(=O)NC[C@@H](C)[NH3+])CC1 ZINC000652217661 420051944 /nfs/dbraw/zinc/05/19/44/420051944.db2.gz DOEPQJUUAIQSPY-GFCCVEGCSA-N 2 2 288.392 -0.676 20 0 CBADLP CCN1C(=O)[C@H]2C[N@H+](Cc3cc[nH+]c(N)c3)CCN2C1=O ZINC000365126464 420054800 /nfs/dbraw/zinc/05/48/00/420054800.db2.gz SFQISPHDHCBPFD-LLVKDONJSA-N 2 2 289.339 0.132 20 0 CBADLP CCN1C(=O)[C@H]2C[N@@H+](Cc3cc[nH+]c(N)c3)CCN2C1=O ZINC000365126464 420054802 /nfs/dbraw/zinc/05/48/02/420054802.db2.gz SFQISPHDHCBPFD-LLVKDONJSA-N 2 2 289.339 0.132 20 0 CBADLP CCN1C[C@H](CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])CC1=O ZINC000652246557 420055433 /nfs/dbraw/zinc/05/54/33/420055433.db2.gz TXCYXMQUQBGHIM-NWDGAFQWSA-N 2 2 297.403 -0.861 20 0 CBADLP CCN1C[C@H](CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])CC1=O ZINC000652246557 420055436 /nfs/dbraw/zinc/05/54/36/420055436.db2.gz TXCYXMQUQBGHIM-NWDGAFQWSA-N 2 2 297.403 -0.861 20 0 CBADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000652338487 420057215 /nfs/dbraw/zinc/05/72/15/420057215.db2.gz IRCYTTVFDMPABV-XQQFMLRXSA-N 2 2 258.362 -0.163 20 0 CBADLP C[NH2+]C[C@](C)(O)C[N@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000652338487 420057218 /nfs/dbraw/zinc/05/72/18/420057218.db2.gz IRCYTTVFDMPABV-XQQFMLRXSA-N 2 2 258.362 -0.163 20 0 CBADLP CCn1nc2c(cc1=O)C[N@@H+](C[C@](C)(O)C[NH2+]C)CC2 ZINC000652338510 420057336 /nfs/dbraw/zinc/05/73/36/420057336.db2.gz MXQLRYBIYFLMSD-CQSZACIVSA-N 2 2 280.372 -0.408 20 0 CBADLP CCn1nc2c(cc1=O)C[N@H+](C[C@](C)(O)C[NH2+]C)CC2 ZINC000652338510 420057338 /nfs/dbraw/zinc/05/73/38/420057338.db2.gz MXQLRYBIYFLMSD-CQSZACIVSA-N 2 2 280.372 -0.408 20 0 CBADLP CCC(=O)N1CCC[N@H+](C[C@@](C)(O)C[NH2+]C)CC1 ZINC000652337214 420057598 /nfs/dbraw/zinc/05/75/98/420057598.db2.gz UJNPIAGHDYHSTM-ZDUSSCGKSA-N 2 2 257.378 -0.099 20 0 CBADLP CCC(=O)N1CCC[N@@H+](C[C@@](C)(O)C[NH2+]C)CC1 ZINC000652337214 420057601 /nfs/dbraw/zinc/05/76/01/420057601.db2.gz UJNPIAGHDYHSTM-ZDUSSCGKSA-N 2 2 257.378 -0.099 20 0 CBADLP OC(C[NH+]1CCCOCC1)C[N@@H+]1CCCOCC1 ZINC000365741716 420065943 /nfs/dbraw/zinc/06/59/43/420065943.db2.gz ZQZBEPOWGIGQCL-UHFFFAOYSA-N 2 2 258.362 -0.208 20 0 CBADLP OC(C[NH+]1CCCOCC1)C[N@H+]1CCCOCC1 ZINC000365741716 420065947 /nfs/dbraw/zinc/06/59/47/420065947.db2.gz ZQZBEPOWGIGQCL-UHFFFAOYSA-N 2 2 258.362 -0.208 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)NCCCN2CC[NH+](C)CC2)C1 ZINC000365632780 420065959 /nfs/dbraw/zinc/06/59/59/420065959.db2.gz NFZHDYUOBFQVMA-CQSZACIVSA-N 2 2 298.431 -0.539 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)NCCCN2CC[NH+](C)CC2)C1 ZINC000365632780 420065965 /nfs/dbraw/zinc/06/59/65/420065965.db2.gz NFZHDYUOBFQVMA-CQSZACIVSA-N 2 2 298.431 -0.539 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)NCCC[NH+]2CCN(C)CC2)C1 ZINC000365632780 420065970 /nfs/dbraw/zinc/06/59/70/420065970.db2.gz NFZHDYUOBFQVMA-CQSZACIVSA-N 2 2 298.431 -0.539 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)NCCC[NH+]2CCN(C)CC2)C1 ZINC000365632780 420065975 /nfs/dbraw/zinc/06/59/75/420065975.db2.gz NFZHDYUOBFQVMA-CQSZACIVSA-N 2 2 298.431 -0.539 20 0 CBADLP O=C([C@H]1CCC[NH+]1C1CC1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000652892573 420094617 /nfs/dbraw/zinc/09/46/17/420094617.db2.gz KIXLBKARVAKFNK-ZIAGYGMSSA-N 2 2 279.384 -0.109 20 0 CBADLP O=C([C@H]1CCC[NH+]1C1CC1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000652892573 420094620 /nfs/dbraw/zinc/09/46/20/420094620.db2.gz KIXLBKARVAKFNK-ZIAGYGMSSA-N 2 2 279.384 -0.109 20 0 CBADLP O=C([C@H]1CCC[N@@H+]1C1CC1)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000652892573 420094622 /nfs/dbraw/zinc/09/46/22/420094622.db2.gz KIXLBKARVAKFNK-ZIAGYGMSSA-N 2 2 279.384 -0.109 20 0 CBADLP O=C([C@H]1CCC[N@H+]1C1CC1)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000652892573 420094626 /nfs/dbraw/zinc/09/46/26/420094626.db2.gz KIXLBKARVAKFNK-ZIAGYGMSSA-N 2 2 279.384 -0.109 20 0 CBADLP CC[C@@H]1CN(C(=O)C[NH2+]C)C[C@@H]1[NH+]1CCOCC1 ZINC000366941584 420097274 /nfs/dbraw/zinc/09/72/74/420097274.db2.gz SMPZOCSDUCXOEA-NEPJUHHUSA-N 2 2 255.362 -0.225 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000652893828 420098774 /nfs/dbraw/zinc/09/87/74/420098774.db2.gz ZODYHFTXUPWPKU-GFCCVEGCSA-N 2 2 264.329 -0.531 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000652893828 420098777 /nfs/dbraw/zinc/09/87/77/420098777.db2.gz ZODYHFTXUPWPKU-GFCCVEGCSA-N 2 2 264.329 -0.531 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000368695624 420141950 /nfs/dbraw/zinc/14/19/50/420141950.db2.gz UQMHGPWZFHCCIH-CQSZACIVSA-N 2 2 299.415 -0.064 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000368695624 420141952 /nfs/dbraw/zinc/14/19/52/420141952.db2.gz UQMHGPWZFHCCIH-CQSZACIVSA-N 2 2 299.415 -0.064 20 0 CBADLP CC[N@@H+]1CCOC[C@H]1C(=O)NCC[NH+](C)CCCOC ZINC000367295504 420103277 /nfs/dbraw/zinc/10/32/77/420103277.db2.gz KSJGJCUWEWRHGZ-ZDUSSCGKSA-N 2 2 287.404 -0.208 20 0 CBADLP CC[N@H+]1CCOC[C@H]1C(=O)NCC[NH+](C)CCCOC ZINC000367295504 420103281 /nfs/dbraw/zinc/10/32/81/420103281.db2.gz KSJGJCUWEWRHGZ-ZDUSSCGKSA-N 2 2 287.404 -0.208 20 0 CBADLP CC[NH+]1CCOC[C@H]1C(=O)NCC[N@H+](C)CCCOC ZINC000367295504 420103284 /nfs/dbraw/zinc/10/32/84/420103284.db2.gz KSJGJCUWEWRHGZ-ZDUSSCGKSA-N 2 2 287.404 -0.208 20 0 CBADLP CN1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)[C@H](C[NH3+])C1 ZINC000653055056 420112238 /nfs/dbraw/zinc/11/22/38/420112238.db2.gz KNTBSTPKBULTCD-CYBMUJFWSA-N 2 2 291.399 -0.137 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC[C@H](O)COc1ccccc1 ZINC000653073237 420112608 /nfs/dbraw/zinc/11/26/08/420112608.db2.gz WPZDRBANZHOUHI-GXTWGEPZSA-N 2 2 295.383 -0.179 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCN(C(=O)C(C)(C)C)CC1 ZINC000653065414 420112876 /nfs/dbraw/zinc/11/28/76/420112876.db2.gz CMLHDQXLYWGBDA-GFCCVEGCSA-N 2 2 298.431 -0.018 20 0 CBADLP CCN(CC(=O)N(C)C)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653068580 420113766 /nfs/dbraw/zinc/11/37/66/420113766.db2.gz JHMMDQFSUAEXKN-JTQLQIEISA-N 2 2 258.366 -0.798 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC1(C(N)=O)CCCCC1 ZINC000653073974 420113775 /nfs/dbraw/zinc/11/37/75/420113775.db2.gz UFUJFQVMAUTEHC-SNVBAGLBSA-N 2 2 270.377 -0.430 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@](C)(C(N)=O)c1ccccc1 ZINC000653082278 420114517 /nfs/dbraw/zinc/11/45/17/420114517.db2.gz OPROFJXWHVWLET-WFASDCNBSA-N 2 2 292.383 -0.218 20 0 CBADLP CC[C@@H]1C(=O)NCCN1C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653086657 420114959 /nfs/dbraw/zinc/11/49/59/420114959.db2.gz YUBNJVSDZUQTQV-VHSXEESVSA-N 2 2 256.350 -0.998 20 0 CBADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653105147 420116158 /nfs/dbraw/zinc/11/61/58/420116158.db2.gz HSVWKIDIQVPUAN-VXGBXAGGSA-N 3 2 256.394 -0.134 20 0 CBADLP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653105147 420116163 /nfs/dbraw/zinc/11/61/63/420116163.db2.gz HSVWKIDIQVPUAN-VXGBXAGGSA-N 3 2 256.394 -0.134 20 0 CBADLP O=C(NCCCn1cc[nH+]c1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653105229 420116248 /nfs/dbraw/zinc/11/62/48/420116248.db2.gz MAIUEDJRKVAZSA-AAEUAGOBSA-N 2 2 264.329 -0.375 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CC[NH+](C2CC2)CC1 ZINC000653108168 420117294 /nfs/dbraw/zinc/11/72/94/420117294.db2.gz LDGWUJFDUDVCCC-LBPRGKRZSA-N 3 2 254.378 -0.428 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCC[NH+]1CCSCC1 ZINC000653110324 420117385 /nfs/dbraw/zinc/11/73/85/420117385.db2.gz CUIHJXLFBHDYRQ-NSHDSACASA-N 3 2 274.434 -0.570 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)[C@]23C[NH2+]C[C@H]2COC3)CCO1 ZINC000653114753 420118582 /nfs/dbraw/zinc/11/85/82/420118582.db2.gz VJCQEKKMEFGDPJ-OBJOEFQTSA-N 2 2 283.372 -0.941 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)[C@]23C[NH2+]C[C@H]2COC3)CCO1 ZINC000653114753 420118586 /nfs/dbraw/zinc/11/85/86/420118586.db2.gz VJCQEKKMEFGDPJ-OBJOEFQTSA-N 2 2 283.372 -0.941 20 0 CBADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653116840 420118737 /nfs/dbraw/zinc/11/87/37/420118737.db2.gz WENLMTXJZQXSRT-CHWSQXEVSA-N 3 2 286.420 -0.508 20 0 CBADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653116840 420118739 /nfs/dbraw/zinc/11/87/39/420118739.db2.gz WENLMTXJZQXSRT-CHWSQXEVSA-N 3 2 286.420 -0.508 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000653117594 420118906 /nfs/dbraw/zinc/11/89/06/420118906.db2.gz QQONURVWMAOMOI-LBPRGKRZSA-N 3 2 288.355 -0.093 20 0 CBADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653124018 420119763 /nfs/dbraw/zinc/11/97/63/420119763.db2.gz OEZWCFQYPYOEGY-WXHSDQCUSA-N 3 2 268.405 -0.136 20 0 CBADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653124018 420119767 /nfs/dbraw/zinc/11/97/67/420119767.db2.gz OEZWCFQYPYOEGY-WXHSDQCUSA-N 3 2 268.405 -0.136 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000653115198 420120182 /nfs/dbraw/zinc/12/01/82/420120182.db2.gz GNVFCOTVUKYMLQ-CHWSQXEVSA-N 3 2 268.405 -0.038 20 0 CBADLP O=C([C@@H]1CCC[NH2+]CC1)N1CC[NH+](CCO)CC1 ZINC000653139730 420121653 /nfs/dbraw/zinc/12/16/53/420121653.db2.gz TWQNOYZJXZABGW-GFCCVEGCSA-N 2 2 255.362 -0.487 20 0 CBADLP COCCN(CC[NH+](C)C)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653149903 420122851 /nfs/dbraw/zinc/12/28/51/420122851.db2.gz KYERABQVODRHJA-LBPRGKRZSA-N 3 2 274.409 -0.698 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CC[NH+]2CCC1CC2 ZINC000653151172 420123228 /nfs/dbraw/zinc/12/32/28/420123228.db2.gz ZGICGJGQFCDMOL-LBPRGKRZSA-N 3 2 254.378 -0.428 20 0 CBADLP CC(C)C[C@@H]1C(=O)NCCN1C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653152441 420123271 /nfs/dbraw/zinc/12/32/71/420123271.db2.gz NAFRCOBQOAMCGY-NWDGAFQWSA-N 2 2 284.404 -0.362 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653148985 420123559 /nfs/dbraw/zinc/12/35/59/420123559.db2.gz SHAPDYRYRWBKRT-JSGCOSHPSA-N 2 2 283.372 -0.987 20 0 CBADLP CN(CC[N@H+](C)C1CC1)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653155731 420123972 /nfs/dbraw/zinc/12/39/72/420123972.db2.gz DLHCRWUNNYPHNF-LBPRGKRZSA-N 3 2 256.394 -0.182 20 0 CBADLP CN(CC[N@@H+](C)C1CC1)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653155731 420123976 /nfs/dbraw/zinc/12/39/76/420123976.db2.gz DLHCRWUNNYPHNF-LBPRGKRZSA-N 3 2 256.394 -0.182 20 0 CBADLP COC[C@@H]1CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C[C@@H](C)O1 ZINC000653153867 420124040 /nfs/dbraw/zinc/12/40/40/420124040.db2.gz AYRXZHCRLSQCAW-WOPDTQHZSA-N 2 2 273.377 -0.472 20 0 CBADLP CN(C[C@H]1CCC[C@H]1O)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653157132 420124108 /nfs/dbraw/zinc/12/41/08/420124108.db2.gz VQIDVYNDJGWFLL-GRYCIOLGSA-N 2 2 257.378 -0.115 20 0 CBADLP CN(CCCn1cc[nH+]c1)C(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653154972 420124151 /nfs/dbraw/zinc/12/41/51/420124151.db2.gz FBMPFVUODOCJRX-JSGCOSHPSA-N 2 2 278.356 -0.032 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000653162245 420124914 /nfs/dbraw/zinc/12/49/14/420124914.db2.gz UHNAFLLBANUGMC-VXGBXAGGSA-N 3 2 256.394 -0.101 20 0 CBADLP CC[C@](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)(C(N)=O)C(C)C ZINC000653154563 420124931 /nfs/dbraw/zinc/12/49/31/420124931.db2.gz VIQDURIWGSVBJR-GXFFZTMASA-N 2 2 272.393 -0.328 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCO[C@H](C(=O)C2CC2)C1 ZINC000653160147 420124968 /nfs/dbraw/zinc/12/49/68/420124968.db2.gz ZHJNMOMTJVRDPT-RYUDHWBXSA-N 2 2 283.372 -0.528 20 0 CBADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000653162242 420125048 /nfs/dbraw/zinc/12/50/48/420125048.db2.gz UHNAFLLBANUGMC-NEPJUHHUSA-N 3 2 256.394 -0.101 20 0 CBADLP CCN1CCCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CC1=O ZINC000653156756 420125109 /nfs/dbraw/zinc/12/51/09/420125109.db2.gz KUASHDOMGRHRRD-NSHDSACASA-N 2 2 270.377 -0.654 20 0 CBADLP C[C@@H]1CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C[C@@H]1C[NH3+] ZINC000653163003 420125240 /nfs/dbraw/zinc/12/52/40/420125240.db2.gz AIRIXWATPZSXSC-WOPDTQHZSA-N 3 2 256.394 -0.291 20 0 CBADLP CCN1C[C@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)CC1=O ZINC000653168368 420125519 /nfs/dbraw/zinc/12/55/19/420125519.db2.gz ZYADOIPJKPPUOI-NXEZZACHSA-N 2 2 256.350 -0.998 20 0 CBADLP COCCNC(=[NH2+])NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000368354654 420130933 /nfs/dbraw/zinc/13/09/33/420130933.db2.gz KNAUSVMEGSBHLR-NSHDSACASA-N 2 2 256.350 -0.390 20 0 CBADLP COCCNC(=[NH2+])NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000368354654 420130938 /nfs/dbraw/zinc/13/09/38/420130938.db2.gz KNAUSVMEGSBHLR-NSHDSACASA-N 2 2 256.350 -0.390 20 0 CBADLP COCCOCC[NH+]1CCN(C(=O)[C@H]([NH3+])C(C)C)CC1 ZINC000653275676 420133880 /nfs/dbraw/zinc/13/38/80/420133880.db2.gz LEGWHFJOYBMKIA-CYBMUJFWSA-N 2 2 287.404 -0.223 20 0 CBADLP C[NH2+]CCCNC(=O)c1cnn(CC[NH+]2CCOCC2)c1 ZINC000368557575 420137493 /nfs/dbraw/zinc/13/74/93/420137493.db2.gz QVBDAJLTQQJCRE-UHFFFAOYSA-N 2 2 295.387 -0.445 20 0 CBADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)NCC(=O)N1CCCC1 ZINC000653298601 420138430 /nfs/dbraw/zinc/13/84/30/420138430.db2.gz XCVCGXBWNDLIAS-VXGBXAGGSA-N 2 2 282.388 -0.463 20 0 CBADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)NCC(=O)N1CCCC1 ZINC000653298601 420138432 /nfs/dbraw/zinc/13/84/32/420138432.db2.gz XCVCGXBWNDLIAS-VXGBXAGGSA-N 2 2 282.388 -0.463 20 0 CBADLP C[NH+](C)CC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000368662146 420138682 /nfs/dbraw/zinc/13/86/82/420138682.db2.gz HFZQHHHKOYBYPZ-NEPJUHHUSA-N 2 2 255.362 -0.394 20 0 CBADLP O=C(NCCN1CC[NH2+]CC1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000368649541 420139497 /nfs/dbraw/zinc/13/94/97/420139497.db2.gz GJEGZCORBWYSRI-SECBINFHSA-N 2 2 262.304 -0.995 20 0 CBADLP COC(=O)[C@H]1C[C@H](NC(=O)[C@](C)([NH3+])c2ccccc2)C[NH2+]1 ZINC000365969775 420073814 /nfs/dbraw/zinc/07/38/14/420073814.db2.gz POKAWUGBXPJLFN-YWPYICTPSA-N 2 2 291.351 -0.120 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652713900 420076698 /nfs/dbraw/zinc/07/66/98/420076698.db2.gz ZIBIOZAOPAQZRS-UHFFFAOYSA-N 2 2 282.388 -0.604 20 0 CBADLP [NH3+]CC1(CCNC(=O)C(=O)N2CC[NH+](C3CC3)CC2)CC1 ZINC000652714185 420076896 /nfs/dbraw/zinc/07/68/96/420076896.db2.gz FRFSDWGTMHFECP-UHFFFAOYSA-N 2 2 294.399 -0.462 20 0 CBADLP O=C(NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1)[C@@H]1COCC[NH2+]1 ZINC000366343624 420083325 /nfs/dbraw/zinc/08/33/25/420083325.db2.gz BLKYNAQPLGRWJV-IHRRRGAJSA-N 2 2 297.399 -0.408 20 0 CBADLP COC[C@H](C)NC(=[NH2+])NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000366453747 420085768 /nfs/dbraw/zinc/08/57/68/420085768.db2.gz CPLUNLLOCVVSCF-JQWIXIFHSA-N 2 2 270.377 -0.002 20 0 CBADLP COC[C@H](C)NC(=[NH2+])NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000366453747 420085771 /nfs/dbraw/zinc/08/57/71/420085771.db2.gz CPLUNLLOCVVSCF-JQWIXIFHSA-N 2 2 270.377 -0.002 20 0 CBADLP C[N@@H+]1CC[C@]2(CC[NH+](CC(=O)N3CCNC3=O)C2)C1 ZINC000366498389 420087711 /nfs/dbraw/zinc/08/77/11/420087711.db2.gz SNPDGISGAPGMEV-ZDUSSCGKSA-N 2 2 266.345 -0.434 20 0 CBADLP C[N@H+]1CC[C@]2(CC[NH+](CC(=O)N3CCNC3=O)C2)C1 ZINC000366498389 420087714 /nfs/dbraw/zinc/08/77/14/420087714.db2.gz SNPDGISGAPGMEV-ZDUSSCGKSA-N 2 2 266.345 -0.434 20 0 CBADLP C[NH+]1CC[C@]2(CC[N@H+](CC(=O)N3CCNC3=O)C2)C1 ZINC000366498389 420087718 /nfs/dbraw/zinc/08/77/18/420087718.db2.gz SNPDGISGAPGMEV-ZDUSSCGKSA-N 2 2 266.345 -0.434 20 0 CBADLP C[NH+]1CC[C@]2(CC[N@@H+](CC(=O)N3CCNC3=O)C2)C1 ZINC000366498389 420087721 /nfs/dbraw/zinc/08/77/21/420087721.db2.gz SNPDGISGAPGMEV-ZDUSSCGKSA-N 2 2 266.345 -0.434 20 0 CBADLP C[NH+](C)CCNC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000366556011 420088407 /nfs/dbraw/zinc/08/84/07/420088407.db2.gz NXVQHGRDHMCQJT-GFCCVEGCSA-N 2 2 270.377 -0.290 20 0 CBADLP C[NH+](C)CCNC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000366556011 420088412 /nfs/dbraw/zinc/08/84/12/420088412.db2.gz NXVQHGRDHMCQJT-GFCCVEGCSA-N 2 2 270.377 -0.290 20 0 CBADLP C[N@@H+]1CC[C@@]2(CC[NH+](CC(=O)N3CCOCC3)C2)C1 ZINC000366560759 420088727 /nfs/dbraw/zinc/08/87/27/420088727.db2.gz RHHIDGCGQJEHCI-CQSZACIVSA-N 2 2 267.373 -0.127 20 0 CBADLP C[N@H+]1CC[C@@]2(CC[NH+](CC(=O)N3CCOCC3)C2)C1 ZINC000366560759 420088732 /nfs/dbraw/zinc/08/87/32/420088732.db2.gz RHHIDGCGQJEHCI-CQSZACIVSA-N 2 2 267.373 -0.127 20 0 CBADLP C[NH+]1CC[C@@]2(CC[N@H+](CC(=O)N3CCOCC3)C2)C1 ZINC000366560759 420088736 /nfs/dbraw/zinc/08/87/36/420088736.db2.gz RHHIDGCGQJEHCI-CQSZACIVSA-N 2 2 267.373 -0.127 20 0 CBADLP C[NH+]1CC[C@@]2(CC[N@@H+](CC(=O)N3CCOCC3)C2)C1 ZINC000366560759 420088740 /nfs/dbraw/zinc/08/87/40/420088740.db2.gz RHHIDGCGQJEHCI-CQSZACIVSA-N 2 2 267.373 -0.127 20 0 CBADLP CCNC(=O)C[NH+]1CCN(C[C@H]2C[N@H+](CC)CCO2)CC1 ZINC000370769092 420185859 /nfs/dbraw/zinc/18/58/59/420185859.db2.gz YSYOPKMGOVXGKY-CQSZACIVSA-N 2 2 298.431 -0.539 20 0 CBADLP CCNC(=O)C[NH+]1CCN(C[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC000370769092 420185862 /nfs/dbraw/zinc/18/58/62/420185862.db2.gz YSYOPKMGOVXGKY-CQSZACIVSA-N 2 2 298.431 -0.539 20 0 CBADLP [NH3+]CCCC(=O)NC[C@]1([NH+]2CCOCC2)CCCOC1 ZINC000370769893 420185870 /nfs/dbraw/zinc/18/58/70/420185870.db2.gz AKBCTVROKWSMTA-CQSZACIVSA-N 2 2 285.388 -0.277 20 0 CBADLP C[C@H]([NH3+])CCNC(=O)c1cnn(CC[NH+]2CCOCC2)c1 ZINC000370790127 420188003 /nfs/dbraw/zinc/18/80/03/420188003.db2.gz ZFDHIKYLSMIGPM-LBPRGKRZSA-N 2 2 295.387 -0.318 20 0 CBADLP NC(=O)C1([NH+]2CCN(C(=O)C3([NH3+])CC3)CC2)CCCCC1 ZINC000370780351 420188114 /nfs/dbraw/zinc/18/81/14/420188114.db2.gz NXFOZWGDOFLQHW-UHFFFAOYSA-N 2 2 294.399 -0.190 20 0 CBADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000372993547 420190664 /nfs/dbraw/zinc/19/06/64/420190664.db2.gz SSCNRQYSLAXRPV-VHSXEESVSA-N 2 2 256.350 -0.014 20 0 CBADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000372993547 420190669 /nfs/dbraw/zinc/19/06/69/420190669.db2.gz SSCNRQYSLAXRPV-VHSXEESVSA-N 2 2 256.350 -0.014 20 0 CBADLP Cc1cn2c([nH+]1)CC[C@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C2 ZINC000372672344 420191583 /nfs/dbraw/zinc/19/15/83/420191583.db2.gz CRADMNGIOIRFHG-NWDGAFQWSA-N 2 2 278.356 -0.047 20 0 CBADLP Cc1cn2c([nH+]1)CC[C@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C2 ZINC000372672344 420191587 /nfs/dbraw/zinc/19/15/87/420191587.db2.gz CRADMNGIOIRFHG-NWDGAFQWSA-N 2 2 278.356 -0.047 20 0 CBADLP C[C@H]1CC[N@H+](CC(=O)N(CCO)CC[NH+]2CCOCC2)C1 ZINC000654928524 420201933 /nfs/dbraw/zinc/20/19/33/420201933.db2.gz YCLAUUODRYQHDY-AWEZNQCLSA-N 2 2 299.415 -0.519 20 0 CBADLP C[C@H]1CC[N@@H+](CC(=O)N(CCO)CC[NH+]2CCOCC2)C1 ZINC000654928524 420201935 /nfs/dbraw/zinc/20/19/35/420201935.db2.gz YCLAUUODRYQHDY-AWEZNQCLSA-N 2 2 299.415 -0.519 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)C[C@H](O)C1CC1 ZINC000653567114 420150177 /nfs/dbraw/zinc/15/01/77/420150177.db2.gz SGDYABCCJPIVCG-STQMWFEESA-N 2 2 260.378 -0.372 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)C[C@H](O)C1CC1 ZINC000653567114 420150182 /nfs/dbraw/zinc/15/01/82/420150182.db2.gz SGDYABCCJPIVCG-STQMWFEESA-N 2 2 260.378 -0.372 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)C[C@H](O)C1CC1 ZINC000653567114 420150187 /nfs/dbraw/zinc/15/01/87/420150187.db2.gz SGDYABCCJPIVCG-STQMWFEESA-N 2 2 260.378 -0.372 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)C[C@H](O)C1CC1 ZINC000653567114 420150190 /nfs/dbraw/zinc/15/01/90/420150190.db2.gz SGDYABCCJPIVCG-STQMWFEESA-N 2 2 260.378 -0.372 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](NC(=O)NC)C1 ZINC000653618378 420153863 /nfs/dbraw/zinc/15/38/63/420153863.db2.gz DKDXKKRJBHQUKP-GHMZBOCLSA-N 2 2 258.366 -0.698 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](NC(=O)NC)C1 ZINC000653618378 420153866 /nfs/dbraw/zinc/15/38/66/420153866.db2.gz DKDXKKRJBHQUKP-GHMZBOCLSA-N 2 2 258.366 -0.698 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](NC(=O)NC)C1 ZINC000653618378 420153871 /nfs/dbraw/zinc/15/38/71/420153871.db2.gz DKDXKKRJBHQUKP-GHMZBOCLSA-N 2 2 258.366 -0.698 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)NC)C1 ZINC000653618378 420153873 /nfs/dbraw/zinc/15/38/73/420153873.db2.gz DKDXKKRJBHQUKP-GHMZBOCLSA-N 2 2 258.366 -0.698 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](CC(N)=O)C1 ZINC000653675720 420155451 /nfs/dbraw/zinc/15/54/51/420155451.db2.gz MVWWIUBGOVYLPT-RYUDHWBXSA-N 2 2 273.377 -0.877 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](CC(N)=O)C1 ZINC000653675720 420155453 /nfs/dbraw/zinc/15/54/53/420155453.db2.gz MVWWIUBGOVYLPT-RYUDHWBXSA-N 2 2 273.377 -0.877 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](CC(N)=O)C1 ZINC000653675720 420155458 /nfs/dbraw/zinc/15/54/58/420155458.db2.gz MVWWIUBGOVYLPT-RYUDHWBXSA-N 2 2 273.377 -0.877 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](CC(N)=O)C1 ZINC000653675720 420155460 /nfs/dbraw/zinc/15/54/60/420155460.db2.gz MVWWIUBGOVYLPT-RYUDHWBXSA-N 2 2 273.377 -0.877 20 0 CBADLP COCCOCC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369257666 420155711 /nfs/dbraw/zinc/15/57/11/420155711.db2.gz SCODEQHHVVPKMH-CYBMUJFWSA-N 2 2 299.415 -0.066 20 0 CBADLP COCCOCC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369257666 420155717 /nfs/dbraw/zinc/15/57/17/420155717.db2.gz SCODEQHHVVPKMH-CYBMUJFWSA-N 2 2 299.415 -0.066 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCCCO)C2)CC1 ZINC000369372917 420158877 /nfs/dbraw/zinc/15/88/77/420158877.db2.gz MZQJLSXDJMUJQQ-GFCCVEGCSA-N 2 2 284.404 -0.164 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCCCO)C2)CC1 ZINC000369372917 420158882 /nfs/dbraw/zinc/15/88/82/420158882.db2.gz MZQJLSXDJMUJQQ-GFCCVEGCSA-N 2 2 284.404 -0.164 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@](CO)(COC)C1 ZINC000653755175 420159457 /nfs/dbraw/zinc/15/94/57/420159457.db2.gz FVAXRVIWKKIQFD-ZIAGYGMSSA-N 2 2 290.404 -0.744 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@](CO)(COC)C1 ZINC000653755175 420159461 /nfs/dbraw/zinc/15/94/61/420159461.db2.gz FVAXRVIWKKIQFD-ZIAGYGMSSA-N 2 2 290.404 -0.744 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@](CO)(COC)C1 ZINC000653755175 420159464 /nfs/dbraw/zinc/15/94/64/420159464.db2.gz FVAXRVIWKKIQFD-ZIAGYGMSSA-N 2 2 290.404 -0.744 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@](CO)(COC)C1 ZINC000653755175 420159469 /nfs/dbraw/zinc/15/94/69/420159469.db2.gz FVAXRVIWKKIQFD-ZIAGYGMSSA-N 2 2 290.404 -0.744 20 0 CBADLP Cn1ccnc(N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1=O ZINC000369697137 420164804 /nfs/dbraw/zinc/16/48/04/420164804.db2.gz WIRNXHZEMMEEIH-LBPRGKRZSA-N 2 2 291.399 0.361 20 0 CBADLP CN1CC[N@H+](C)[C@H](CNC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000654438441 420179116 /nfs/dbraw/zinc/17/91/16/420179116.db2.gz DMPRTLXYRNDFDK-HZSPNIEDSA-N 2 2 297.447 -0.128 20 0 CBADLP CN1CC[N@@H+](C)[C@H](CNC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000654438441 420179123 /nfs/dbraw/zinc/17/91/23/420179123.db2.gz DMPRTLXYRNDFDK-HZSPNIEDSA-N 2 2 297.447 -0.128 20 0 CBADLP C[C@@H](NC(=O)Cc1c[nH+]cn1C)[C@@H]1C[N@H+](C)CCO1 ZINC000673017401 544868380 /nfs/dbraw/zinc/86/83/80/544868380.db2.gz XJHZBSIVNPUHSO-PWSUYJOCSA-N 2 2 266.345 -0.202 20 0 CBADLP C[C@@H](NC(=O)Cc1c[nH+]cn1C)[C@@H]1C[N@@H+](C)CCO1 ZINC000673017401 544868383 /nfs/dbraw/zinc/86/83/83/544868383.db2.gz XJHZBSIVNPUHSO-PWSUYJOCSA-N 2 2 266.345 -0.202 20 0 CBADLP C[C@H](NC(=O)Cc1c[nH+]cn1C)[C@H]1C[N@H+](C)CCO1 ZINC000673017399 544868429 /nfs/dbraw/zinc/86/84/29/544868429.db2.gz XJHZBSIVNPUHSO-CMPLNLGQSA-N 2 2 266.345 -0.202 20 0 CBADLP C[C@H](NC(=O)Cc1c[nH+]cn1C)[C@H]1C[N@@H+](C)CCO1 ZINC000673017399 544868431 /nfs/dbraw/zinc/86/84/31/544868431.db2.gz XJHZBSIVNPUHSO-CMPLNLGQSA-N 2 2 266.345 -0.202 20 0 CBADLP CCO[C@@H]1C[N@H+](CC(=O)NC[C@H]2CCCO2)C[C@H]1C[NH3+] ZINC000405196156 420227274 /nfs/dbraw/zinc/22/72/74/420227274.db2.gz BWYHXOMOZIORPN-JHJVBQTASA-N 2 2 285.388 -0.423 20 0 CBADLP CCO[C@@H]1C[N@@H+](CC(=O)NC[C@H]2CCCO2)C[C@H]1C[NH3+] ZINC000405196156 420227277 /nfs/dbraw/zinc/22/72/77/420227277.db2.gz BWYHXOMOZIORPN-JHJVBQTASA-N 2 2 285.388 -0.423 20 0 CBADLP CCO[C@@H]1C[N@H+](CC(=O)N2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000405559209 420229301 /nfs/dbraw/zinc/22/93/01/420229301.db2.gz CPOCVLZVVQUJBO-XJFOESAGSA-N 2 2 299.415 -0.082 20 0 CBADLP CCO[C@@H]1C[N@@H+](CC(=O)N2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000405559209 420229303 /nfs/dbraw/zinc/22/93/03/420229303.db2.gz CPOCVLZVVQUJBO-XJFOESAGSA-N 2 2 299.415 -0.082 20 0 CBADLP C[N@@H+]1CCN(C(=O)C[C@@H]2CCC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000655419323 420247281 /nfs/dbraw/zinc/24/72/81/420247281.db2.gz SICKEUWJYVCADS-NWDGAFQWSA-N 3 2 254.378 -0.523 20 0 CBADLP C[N@H+]1CCN(C(=O)C[C@@H]2CCC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000655419323 420247284 /nfs/dbraw/zinc/24/72/84/420247284.db2.gz SICKEUWJYVCADS-NWDGAFQWSA-N 3 2 254.378 -0.523 20 0 CBADLP C[NH2+]C[C@H](C)CNc1cc(NC[C@H](C)O)nc[nH+]1 ZINC000420202040 420249076 /nfs/dbraw/zinc/24/90/76/420249076.db2.gz NTJYEBAWOMJUHD-UWVGGRQHSA-N 2 2 253.350 0.537 20 0 CBADLP C[NH2+]C[C@H](C)CNc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000420202040 420249078 /nfs/dbraw/zinc/24/90/78/420249078.db2.gz NTJYEBAWOMJUHD-UWVGGRQHSA-N 2 2 253.350 0.537 20 0 CBADLP CN1CC[NH2+]C[C@@H]1CNc1nc[nH+]c(N)c1Cl ZINC000420264462 420250973 /nfs/dbraw/zinc/25/09/73/420250973.db2.gz CZBVIBYBYXHOQH-SSDOTTSWSA-N 2 2 256.741 0.028 20 0 CBADLP [NH3+]C[C@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CCO1 ZINC000655453749 420251512 /nfs/dbraw/zinc/25/15/12/420251512.db2.gz QAMHRUCWHYDFRZ-MNOVXSKESA-N 2 2 264.329 -0.368 20 0 CBADLP O=C(NC[C@@H]1C[NH2+]CCCO1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000655466183 420253135 /nfs/dbraw/zinc/25/31/35/420253135.db2.gz SAIMPUNROIZTHO-NEPJUHHUSA-N 2 2 278.356 -0.060 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NC1(C[NH3+])CCCC1 ZINC000422819389 420253995 /nfs/dbraw/zinc/25/39/95/420253995.db2.gz NARXYJMPDGIENI-UHFFFAOYSA-N 2 2 284.404 -0.170 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NC1(C[NH3+])CCCC1 ZINC000422819389 420254000 /nfs/dbraw/zinc/25/40/00/420254000.db2.gz NARXYJMPDGIENI-UHFFFAOYSA-N 2 2 284.404 -0.170 20 0 CBADLP COCCOCC[NH+]1CCN(C(=O)CC[NH2+]C2CC2)CC1 ZINC000655486627 420256051 /nfs/dbraw/zinc/25/60/51/420256051.db2.gz WYWLUHYLKLJXEX-UHFFFAOYSA-N 2 2 299.415 -0.064 20 0 CBADLP C[C@H](CNC(=O)[C@H]1C[NH2+]CCO1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655487501 420256424 /nfs/dbraw/zinc/25/64/24/420256424.db2.gz GLEHUROIZKXEBS-FVCCEPFGSA-N 2 2 285.388 -0.411 20 0 CBADLP C[C@H](CNC(=O)[C@H]1C[NH2+]CCO1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655487501 420256427 /nfs/dbraw/zinc/25/64/27/420256427.db2.gz GLEHUROIZKXEBS-FVCCEPFGSA-N 2 2 285.388 -0.411 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424215134 420258982 /nfs/dbraw/zinc/25/89/82/420258982.db2.gz FCOVZKSFFCLNKG-VXGBXAGGSA-N 2 2 284.404 -0.171 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424215134 420258986 /nfs/dbraw/zinc/25/89/86/420258986.db2.gz FCOVZKSFFCLNKG-VXGBXAGGSA-N 2 2 284.404 -0.171 20 0 CBADLP C[C@H]([NH3+])CC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000430725576 420272238 /nfs/dbraw/zinc/27/22/38/420272238.db2.gz XWYQRUKNBBJNKF-NSHDSACASA-N 2 2 281.360 -0.109 20 0 CBADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)C[C@H]2CCC[NH2+]2)CC1 ZINC000430806863 420272253 /nfs/dbraw/zinc/27/22/53/420272253.db2.gz KABYCGLHELIOAK-LLVKDONJSA-N 2 2 282.388 -0.463 20 0 CBADLP C[C@@H]([NH3+])CC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000430725575 420272276 /nfs/dbraw/zinc/27/22/76/420272276.db2.gz XWYQRUKNBBJNKF-LLVKDONJSA-N 2 2 281.360 -0.109 20 0 CBADLP C[C@@H](C(=O)NC(=O)NC1CC1)[NH+]1CCC([NH3+])CC1 ZINC000430602724 420273154 /nfs/dbraw/zinc/27/31/54/420273154.db2.gz IBABGOOESRTPBJ-QMMMGPOBSA-N 2 2 254.334 -0.214 20 0 CBADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655916456 420275315 /nfs/dbraw/zinc/27/53/15/420275315.db2.gz YPGZEBRPHYUMFY-IUCAKERBSA-N 2 2 298.309 -0.104 20 0 CBADLP C[C@H]1COCC[N@H+]1CCNC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655916456 420275316 /nfs/dbraw/zinc/27/53/16/420275316.db2.gz YPGZEBRPHYUMFY-IUCAKERBSA-N 2 2 298.309 -0.104 20 0 CBADLP C[C@H]([NH3+])CCC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000434699377 420278666 /nfs/dbraw/zinc/27/86/66/420278666.db2.gz KFCZYENIMLHACY-LBPRGKRZSA-N 2 2 295.387 0.281 20 0 CBADLP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])C1 ZINC000655971120 420284873 /nfs/dbraw/zinc/28/48/73/420284873.db2.gz SVBJMRWOZMDQEU-XQQFMLRXSA-N 3 2 283.420 -0.389 20 0 CBADLP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])C1 ZINC000655971120 420284876 /nfs/dbraw/zinc/28/48/76/420284876.db2.gz SVBJMRWOZMDQEU-XQQFMLRXSA-N 3 2 283.420 -0.389 20 0 CBADLP CC1(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)C[NH2+]C1 ZINC000399238286 420218433 /nfs/dbraw/zinc/21/84/33/420218433.db2.gz LOVMGRHNBRYHGH-NSHDSACASA-N 2 2 253.346 -0.471 20 0 CBADLP C[NH+](C)[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1O ZINC000655095701 420219679 /nfs/dbraw/zinc/21/96/79/420219679.db2.gz JTSIOIWHIXQECY-UWVGGRQHSA-N 2 2 252.318 -0.524 20 0 CBADLP O=C(NCCn1cc[nH+]c1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000656548428 420314858 /nfs/dbraw/zinc/31/48/58/420314858.db2.gz UCYMHHMVHHSSBI-CYBMUJFWSA-N 2 2 293.371 -0.001 20 0 CBADLP COC(=O)NCC[NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000496564965 420320636 /nfs/dbraw/zinc/32/06/36/420320636.db2.gz BHLAKZBYCWMMNT-SRVKXCTJSA-N 2 2 289.376 -0.598 20 0 CBADLP CCN(C)S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000657092988 420341448 /nfs/dbraw/zinc/34/14/48/420341448.db2.gz VSCNZYYBVZXIOW-UHFFFAOYSA-N 2 2 280.438 -0.344 20 0 CBADLP CCN(C)S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000657092988 420341451 /nfs/dbraw/zinc/34/14/51/420341451.db2.gz VSCNZYYBVZXIOW-UHFFFAOYSA-N 2 2 280.438 -0.344 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)NC1CC1 ZINC000657093048 420342388 /nfs/dbraw/zinc/34/23/88/420342388.db2.gz XDUNWLXFXSVMCL-UHFFFAOYSA-N 2 2 278.422 -0.544 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)NC1CC1 ZINC000657093048 420342391 /nfs/dbraw/zinc/34/23/91/420342391.db2.gz XDUNWLXFXSVMCL-UHFFFAOYSA-N 2 2 278.422 -0.544 20 0 CBADLP CC(C)NS(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000657091621 420342402 /nfs/dbraw/zinc/34/24/02/420342402.db2.gz NHWPJWSTCWZHPZ-UHFFFAOYSA-N 2 2 280.438 -0.298 20 0 CBADLP CC(C)NS(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000657091621 420342405 /nfs/dbraw/zinc/34/24/05/420342405.db2.gz NHWPJWSTCWZHPZ-UHFFFAOYSA-N 2 2 280.438 -0.298 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)N1CCCC1 ZINC000657093356 420342902 /nfs/dbraw/zinc/34/29/02/420342902.db2.gz YSXFUJUYTLLJPO-UHFFFAOYSA-N 2 2 292.449 -0.200 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)N1CCCC1 ZINC000657093356 420342904 /nfs/dbraw/zinc/34/29/04/420342904.db2.gz YSXFUJUYTLLJPO-UHFFFAOYSA-N 2 2 292.449 -0.200 20 0 CBADLP C[NH+](C)C[C@H](CO)NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000673523948 544878168 /nfs/dbraw/zinc/87/81/68/544878168.db2.gz XUGYXCHSPALBSE-GFCCVEGCSA-N 2 2 276.340 -0.085 20 0 CBADLP CN(C)S(=O)(=O)CC[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657468932 420354618 /nfs/dbraw/zinc/35/46/18/420354618.db2.gz ATKOCSVODLDKQS-UHFFFAOYSA-N 2 2 272.374 -0.190 20 0 CBADLP C[C@H](Cn1cncn1)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000657855375 420364540 /nfs/dbraw/zinc/36/45/40/420364540.db2.gz CFJBVAJAQHNQGO-LLVKDONJSA-N 2 2 266.349 -0.970 20 0 CBADLP CN(C)c1[nH+]cc(CN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)n1C ZINC000656273900 420303555 /nfs/dbraw/zinc/30/35/55/420303555.db2.gz RVBPBWDWDCXYBR-WCQYABFASA-N 2 2 279.388 -0.263 20 0 CBADLP Cc1nc(N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)nc(N(C)C)[nH+]1 ZINC000656219017 420304799 /nfs/dbraw/zinc/30/47/99/420304799.db2.gz JPNWTZTYGKBSMD-WDEREUQCSA-N 2 2 278.360 -0.499 20 0 CBADLP Cc1nc(N2CC[N@H+]3C[C@H](O)C[C@H]3C2)nc(N(C)C)[nH+]1 ZINC000656219017 420304803 /nfs/dbraw/zinc/30/48/03/420304803.db2.gz JPNWTZTYGKBSMD-WDEREUQCSA-N 2 2 278.360 -0.499 20 0 CBADLP OCCOCC[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000516974312 420368684 /nfs/dbraw/zinc/36/86/84/420368684.db2.gz YSGRLIZTXDPJFW-UHFFFAOYSA-N 2 2 272.389 -0.178 20 0 CBADLP O[C@H]1C[C@H]([NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)C1 ZINC000658349248 420369293 /nfs/dbraw/zinc/36/92/93/420369293.db2.gz HVORPRGCYFPFDW-SHTZXODSSA-N 2 2 283.416 -0.104 20 0 CBADLP O[C@H]1C[C@H]([NH2+]C2CC[NH+](CCN3CCOCC3)CC2)C1 ZINC000658349248 420369295 /nfs/dbraw/zinc/36/92/95/420369295.db2.gz HVORPRGCYFPFDW-SHTZXODSSA-N 2 2 283.416 -0.104 20 0 CBADLP CCOC[C@H](C)NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000517019500 420370858 /nfs/dbraw/zinc/37/08/58/420370858.db2.gz KMBKMAHRCQQLLB-WDEREUQCSA-N 2 2 258.366 -0.304 20 0 CBADLP CCOC[C@H](C)NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000517019500 420370864 /nfs/dbraw/zinc/37/08/64/420370864.db2.gz KMBKMAHRCQQLLB-WDEREUQCSA-N 2 2 258.366 -0.304 20 0 CBADLP C[N@@H+]1CCN(C(=O)NCC2([NH3+])CCCCC2)[C@H](C[NH3+])C1 ZINC000517225258 420375133 /nfs/dbraw/zinc/37/51/33/420375133.db2.gz RULJMAONAVEIBG-GFCCVEGCSA-N 3 2 283.420 -0.068 20 0 CBADLP C[N@H+]1CCN(C(=O)NCC2([NH3+])CCCCC2)[C@H](C[NH3+])C1 ZINC000517225258 420375138 /nfs/dbraw/zinc/37/51/38/420375138.db2.gz RULJMAONAVEIBG-GFCCVEGCSA-N 3 2 283.420 -0.068 20 0 CBADLP C[C@@H](C[NH2+]C[C@@H](O)Cn1cccn1)C[NH+]1CCOCC1 ZINC000517359671 420376163 /nfs/dbraw/zinc/37/61/63/420376163.db2.gz LIHAFEBYORZLRM-UONOGXRCSA-N 2 2 282.388 -0.198 20 0 CBADLP CC[N@@H+]1CCCN(C(=O)C(=O)N(C)Cc2c[nH+]c[nH]2)CC1 ZINC000658466174 420380167 /nfs/dbraw/zinc/38/01/67/420380167.db2.gz WYAKGQPRVHROEC-UHFFFAOYSA-N 2 2 293.371 -0.078 20 0 CBADLP CC[N@H+]1CCCN(C(=O)C(=O)N(C)Cc2c[nH+]c[nH]2)CC1 ZINC000658466174 420380170 /nfs/dbraw/zinc/38/01/70/420380170.db2.gz WYAKGQPRVHROEC-UHFFFAOYSA-N 2 2 293.371 -0.078 20 0 CBADLP CC[N@@H+]1CCCN(C(=O)C(=O)N(C)Cc2c[nH]c[nH+]2)CC1 ZINC000658466174 420380176 /nfs/dbraw/zinc/38/01/76/420380176.db2.gz WYAKGQPRVHROEC-UHFFFAOYSA-N 2 2 293.371 -0.078 20 0 CBADLP CC[N@H+]1CCCN(C(=O)C(=O)N(C)Cc2c[nH]c[nH+]2)CC1 ZINC000658466174 420380178 /nfs/dbraw/zinc/38/01/78/420380178.db2.gz WYAKGQPRVHROEC-UHFFFAOYSA-N 2 2 293.371 -0.078 20 0 CBADLP Nc1ccc(NC(=O)c2cn(CCC[NH3+])nn2)c[nH+]1 ZINC000517732211 420380394 /nfs/dbraw/zinc/38/03/94/420380394.db2.gz QTZQGGIULWEONW-UHFFFAOYSA-N 2 2 261.289 -0.144 20 0 CBADLP CS(=O)(=O)CC1(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000519652073 420386482 /nfs/dbraw/zinc/38/64/82/420386482.db2.gz JBPTXRXMTFYPLD-PHIMTYICSA-N 2 2 258.387 -0.038 20 0 CBADLP CS(=O)(=O)CC1(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000519652073 420386488 /nfs/dbraw/zinc/38/64/88/420386488.db2.gz JBPTXRXMTFYPLD-PHIMTYICSA-N 2 2 258.387 -0.038 20 0 CBADLP CCN(C(=O)C(=O)N1CC[NH+](C)CC1)[C@H]1CC[N@H+](C)C1 ZINC000658806594 420388452 /nfs/dbraw/zinc/38/84/52/420388452.db2.gz HJWVLUQEIXJZQP-LBPRGKRZSA-N 2 2 282.388 -0.687 20 0 CBADLP CCN(C(=O)C(=O)N1CC[NH+](C)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000658806594 420388457 /nfs/dbraw/zinc/38/84/57/420388457.db2.gz HJWVLUQEIXJZQP-LBPRGKRZSA-N 2 2 282.388 -0.687 20 0 CBADLP Cc1noc(CCC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])n1 ZINC000519778992 420388569 /nfs/dbraw/zinc/38/85/69/420388569.db2.gz UEDQOSXKARYLPH-SNVBAGLBSA-N 2 2 267.333 -0.588 20 0 CBADLP Cc1noc(CCC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])n1 ZINC000519778992 420388571 /nfs/dbraw/zinc/38/85/71/420388571.db2.gz UEDQOSXKARYLPH-SNVBAGLBSA-N 2 2 267.333 -0.588 20 0 CBADLP CCN(C(=O)C(=O)N1CC[NH+](C)CC1)[C@@H]1CC[N@H+](CC)C1 ZINC000658828967 420391181 /nfs/dbraw/zinc/39/11/81/420391181.db2.gz HDIKVCBLOBMPGB-CYBMUJFWSA-N 2 2 296.415 -0.297 20 0 CBADLP CCN(C(=O)C(=O)N1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](CC)C1 ZINC000658828967 420391185 /nfs/dbraw/zinc/39/11/85/420391185.db2.gz HDIKVCBLOBMPGB-CYBMUJFWSA-N 2 2 296.415 -0.297 20 0 CBADLP COC[C@H](CCO)[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000521045256 420393067 /nfs/dbraw/zinc/39/30/67/420393067.db2.gz LKCYVWIDDDZSFG-CRWXNKLISA-N 2 2 290.404 -0.557 20 0 CBADLP COC[C@H](CCO)[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000521045256 420393070 /nfs/dbraw/zinc/39/30/70/420393070.db2.gz LKCYVWIDDDZSFG-CRWXNKLISA-N 2 2 290.404 -0.557 20 0 CBADLP Cc1cn(C)nc1NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000659055732 420396144 /nfs/dbraw/zinc/39/61/44/420396144.db2.gz IQACAXYBAQPZPD-JTQLQIEISA-N 2 2 266.349 -0.165 20 0 CBADLP C(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)OCC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000674232086 544898882 /nfs/dbraw/zinc/89/88/82/544898882.db2.gz OLSGZWARNHIAMV-YHUYYLMFSA-N 4 2 294.443 -0.695 20 0 CBADLP C(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)OCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000674232086 544898886 /nfs/dbraw/zinc/89/88/86/544898886.db2.gz OLSGZWARNHIAMV-YHUYYLMFSA-N 4 2 294.443 -0.695 20 0 CBADLP C[C@@H](C(=O)NCCC[NH+]1CCN(C)CC1)[NH+](C)C ZINC000674265897 544900908 /nfs/dbraw/zinc/90/09/08/544900908.db2.gz JZCVIDWLNVACOP-LBPRGKRZSA-N 2 2 256.394 -0.310 20 0 CBADLP C[C@H](C(=O)N1CC[NH2+][C@H](C)C1)[NH+]1CCN(C)CC1 ZINC000516868048 420365633 /nfs/dbraw/zinc/36/56/33/420365633.db2.gz NXUHDNRMIKZZGZ-VXGBXAGGSA-N 2 2 254.378 -0.557 20 0 CBADLP C[C@@H](NC(=O)CN1CC[NH+](C)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000676346632 544949172 /nfs/dbraw/zinc/94/91/72/544949172.db2.gz COTQICNFRDWATR-CHWSQXEVSA-N 2 2 284.404 -0.931 20 0 CBADLP C[C@@H](NC(=O)CN1CC[NH+](C)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000676346632 544949176 /nfs/dbraw/zinc/94/91/76/544949176.db2.gz COTQICNFRDWATR-CHWSQXEVSA-N 2 2 284.404 -0.931 20 0 CBADLP C[NH+](C)CC(=O)N1CC[NH+]([C@H]2CCCOC2)CC1 ZINC000676402666 544951843 /nfs/dbraw/zinc/95/18/43/544951843.db2.gz QACDKCVYVYMWIO-LBPRGKRZSA-N 2 2 255.362 -0.129 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3nnc[nH]3)C2)CC1 ZINC000676529140 544953150 /nfs/dbraw/zinc/95/31/50/544953150.db2.gz SZWLNNWQOUDJMY-SNVBAGLBSA-N 2 2 278.360 -0.297 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3nnc[nH]3)C2)CC1 ZINC000676529140 544953153 /nfs/dbraw/zinc/95/31/53/544953153.db2.gz SZWLNNWQOUDJMY-SNVBAGLBSA-N 2 2 278.360 -0.297 20 0 CBADLP CN(C(=O)CNC(N)=O)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000675604584 544934400 /nfs/dbraw/zinc/93/44/00/544934400.db2.gz BZIUFXDTYKNSQH-LBPRGKRZSA-N 2 2 297.403 -0.718 20 0 CBADLP CN(C(=O)CNC(N)=O)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000675604584 544934401 /nfs/dbraw/zinc/93/44/01/544934401.db2.gz BZIUFXDTYKNSQH-LBPRGKRZSA-N 2 2 297.403 -0.718 20 0 CBADLP C[C@H](NC(=O)[C@H]1C[N@H+](C)CCO1)[C@H]1C[NH+](C)CCO1 ZINC000676289881 544944847 /nfs/dbraw/zinc/94/48/47/544944847.db2.gz KFVBVSUEYFZOCP-QJPTWQEYSA-N 2 2 271.361 -0.848 20 0 CBADLP C[C@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)[C@H]1C[NH+](C)CCO1 ZINC000676289881 544944851 /nfs/dbraw/zinc/94/48/51/544944851.db2.gz KFVBVSUEYFZOCP-QJPTWQEYSA-N 2 2 271.361 -0.848 20 0 CBADLP C[C@H](NC(=O)[C@H]1C[NH+](C)CCO1)[C@H]1C[N@H+](C)CCO1 ZINC000676289881 544944856 /nfs/dbraw/zinc/94/48/56/544944856.db2.gz KFVBVSUEYFZOCP-QJPTWQEYSA-N 2 2 271.361 -0.848 20 0 CBADLP C[C@H](NC(=O)[C@H]1C[NH+](C)CCO1)[C@H]1C[N@@H+](C)CCO1 ZINC000676289881 544944859 /nfs/dbraw/zinc/94/48/59/544944859.db2.gz KFVBVSUEYFZOCP-QJPTWQEYSA-N 2 2 271.361 -0.848 20 0 CBADLP Cn1ccc(C[NH2+]CC(=O)N2CC[NH+](C)CC2)c1 ZINC000677849361 544987899 /nfs/dbraw/zinc/98/78/99/544987899.db2.gz SZPJWNVJVFZBKK-UHFFFAOYSA-N 2 2 250.346 -0.111 20 0 CBADLP C[NH2+]C[C@H](C)NC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000659434826 420418978 /nfs/dbraw/zinc/41/89/78/420418978.db2.gz CMMQILAAFUHBLQ-QWRGUYRKSA-N 2 2 258.366 -0.386 20 0 CBADLP C[NH2+]C[C@H](C)NC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000659453588 420420131 /nfs/dbraw/zinc/42/01/31/420420131.db2.gz OFCLFULUXJPYHK-QWRGUYRKSA-N 2 2 257.382 -0.861 20 0 CBADLP C[NH2+]C[C@H](C)NC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000659453588 420420134 /nfs/dbraw/zinc/42/01/34/420420134.db2.gz OFCLFULUXJPYHK-QWRGUYRKSA-N 2 2 257.382 -0.861 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@H]3CC[NH2+]C3)C2)CC1 ZINC000659456970 420420209 /nfs/dbraw/zinc/42/02/09/420420209.db2.gz VBJVUWPNXDXZGK-STQMWFEESA-N 3 2 295.431 -0.184 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@H]3CC[NH2+]C3)C2)CC1 ZINC000659456970 420420213 /nfs/dbraw/zinc/42/02/13/420420213.db2.gz VBJVUWPNXDXZGK-STQMWFEESA-N 3 2 295.431 -0.184 20 0 CBADLP C[NH2+]C[C@@H](C)NC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000659451663 420420352 /nfs/dbraw/zinc/42/03/52/420420352.db2.gz UWIMVDNJMAJSEH-GHMZBOCLSA-N 2 2 258.366 -0.386 20 0 CBADLP C[NH2+]C[C@@H](C)NC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000659451663 420420357 /nfs/dbraw/zinc/42/03/57/420420357.db2.gz UWIMVDNJMAJSEH-GHMZBOCLSA-N 2 2 258.366 -0.386 20 0 CBADLP CN1CC[N@H+](C)[C@H](CNC(=O)NCC2([NH3+])CCCC2)C1 ZINC000659453878 420420845 /nfs/dbraw/zinc/42/08/45/420420845.db2.gz UWMXNOGREFFRFU-GFCCVEGCSA-N 2 2 283.420 -0.197 20 0 CBADLP CN1CC[N@@H+](C)[C@H](CNC(=O)NCC2([NH3+])CCCC2)C1 ZINC000659453878 420420848 /nfs/dbraw/zinc/42/08/48/420420848.db2.gz UWMXNOGREFFRFU-GFCCVEGCSA-N 2 2 283.420 -0.197 20 0 CBADLP O=C(C1C[NH2+]C1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000091407340 230168761 /nfs/dbraw/zinc/16/87/61/230168761.db2.gz IQNBYYVZGDQCNC-UHFFFAOYSA-N 2 2 260.341 -0.055 20 0 CBADLP O=C(C[NH2+]C1CC1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659357407 420414764 /nfs/dbraw/zinc/41/47/64/420414764.db2.gz GMXXYJCZUZBVDL-GFCCVEGCSA-N 2 2 253.346 -0.329 20 0 CBADLP C[N@@H+]1CCN(C(=O)NCCO[C@@H]2CC2(F)F)[C@H](C[NH3+])C1 ZINC000659568882 420434919 /nfs/dbraw/zinc/43/49/19/420434919.db2.gz RABXMHNJLIABNC-NXEZZACHSA-N 2 2 292.330 -0.305 20 0 CBADLP C[N@H+]1CCN(C(=O)NCCO[C@@H]2CC2(F)F)[C@H](C[NH3+])C1 ZINC000659568882 420434924 /nfs/dbraw/zinc/43/49/24/420434924.db2.gz RABXMHNJLIABNC-NXEZZACHSA-N 2 2 292.330 -0.305 20 0 CBADLP C[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH+]1CCNC(=O)C1 ZINC000677931801 545008769 /nfs/dbraw/zinc/00/87/69/545008769.db2.gz VMCHDXSJZUBRCX-LBPRGKRZSA-N 2 2 282.388 -0.591 20 0 CBADLP C[N@H+]1CCCC[C@H]1C(=O)NCCC[NH+]1CCNC(=O)C1 ZINC000677931801 545008770 /nfs/dbraw/zinc/00/87/70/545008770.db2.gz VMCHDXSJZUBRCX-LBPRGKRZSA-N 2 2 282.388 -0.591 20 0 CBADLP C[NH+]1CCCC[C@H]1C(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000677931801 545008772 /nfs/dbraw/zinc/00/87/72/545008772.db2.gz VMCHDXSJZUBRCX-LBPRGKRZSA-N 2 2 282.388 -0.591 20 0 CBADLP C[NH+]1CCCC[C@H]1C(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000677931801 545008773 /nfs/dbraw/zinc/00/87/73/545008773.db2.gz VMCHDXSJZUBRCX-LBPRGKRZSA-N 2 2 282.388 -0.591 20 0 CBADLP CCOC[C@H](O)C[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000678081974 545012618 /nfs/dbraw/zinc/01/26/18/545012618.db2.gz ZMHVMYQLAOBXLC-ZIAGYGMSSA-N 2 2 299.415 -0.202 20 0 CBADLP CCOC[C@H](O)C[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000678081974 545012621 /nfs/dbraw/zinc/01/26/21/545012621.db2.gz ZMHVMYQLAOBXLC-ZIAGYGMSSA-N 2 2 299.415 -0.202 20 0 CBADLP CS(=O)(=O)CC1(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000678073032 545013160 /nfs/dbraw/zinc/01/31/60/545013160.db2.gz JBPTXRXMTFYPLD-QWRGUYRKSA-N 2 2 258.387 -0.038 20 0 CBADLP C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)CN1CC[NH+](C)CC1 ZINC000678180464 545014022 /nfs/dbraw/zinc/01/40/22/545014022.db2.gz XNCAWKVVQGMTEB-STQMWFEESA-N 2 2 268.405 -0.215 20 0 CBADLP C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)CN1CC[NH+](C)CC1 ZINC000678180464 545014024 /nfs/dbraw/zinc/01/40/24/545014024.db2.gz XNCAWKVVQGMTEB-STQMWFEESA-N 2 2 268.405 -0.215 20 0 CBADLP COCC1([N@H+](C)CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000678531902 545018800 /nfs/dbraw/zinc/01/88/00/545018800.db2.gz RIMBNPAJFFLRFR-UHFFFAOYSA-N 2 2 255.362 -0.129 20 0 CBADLP COCC1([N@@H+](C)CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000678531902 545018802 /nfs/dbraw/zinc/01/88/02/545018802.db2.gz RIMBNPAJFFLRFR-UHFFFAOYSA-N 2 2 255.362 -0.129 20 0 CBADLP O=C(N[C@@H]1CCC[NH2+]C1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659517888 420427219 /nfs/dbraw/zinc/42/72/19/420427219.db2.gz UNIARKYZTXTYGT-CHWSQXEVSA-N 2 2 282.388 -0.146 20 0 CBADLP O=C(NCC1C[NH2+]C1)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000659526482 420429072 /nfs/dbraw/zinc/42/90/72/420429072.db2.gz BNLWAAZOPDVBAW-UHFFFAOYSA-N 2 2 296.415 -0.040 20 0 CBADLP C[C@@H](CC[NH3+])NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659529278 420430060 /nfs/dbraw/zinc/43/00/60/420430060.db2.gz JDJGQVMPJUJQEK-NWDGAFQWSA-N 2 2 270.377 -0.160 20 0 CBADLP [NH3+]C/C=C/CNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659544758 420431162 /nfs/dbraw/zinc/43/11/62/420431162.db2.gz WUGWFXIWYXGSHB-YYRQZUAOSA-N 2 2 268.361 -0.383 20 0 CBADLP O=C(NC[C@@H]1C[NH2+]CCO1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659555570 420433192 /nfs/dbraw/zinc/43/31/92/420433192.db2.gz ROPQLPIVYKWKMR-OLZOCXBDSA-N 2 2 298.387 -0.909 20 0 CBADLP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000659751894 420468140 /nfs/dbraw/zinc/46/81/40/420468140.db2.gz XBOYTFSCCXEAJB-QWRGUYRKSA-N 2 2 293.371 -0.160 20 0 CBADLP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000659751884 420468509 /nfs/dbraw/zinc/46/85/09/420468509.db2.gz XBOYTFSCCXEAJB-GHMZBOCLSA-N 2 2 293.371 -0.160 20 0 CBADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[N@@H+]1CCO ZINC000681760470 545051409 /nfs/dbraw/zinc/05/14/09/545051409.db2.gz DAZJYQQZFVWCBU-LLVKDONJSA-N 2 2 252.318 -0.592 20 0 CBADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[N@H+]1CCO ZINC000681760470 545051410 /nfs/dbraw/zinc/05/14/10/545051410.db2.gz DAZJYQQZFVWCBU-LLVKDONJSA-N 2 2 252.318 -0.592 20 0 CBADLP C[C@@H](C(=O)N1CC[N@H+](CCO)C(C)(C)C1)[NH+](C)C ZINC000682009488 545053584 /nfs/dbraw/zinc/05/35/84/545053584.db2.gz AVBAAZGEAYVRNF-NSHDSACASA-N 2 2 257.378 -0.148 20 0 CBADLP C[C@@H](C(=O)N1CC[N@@H+](CCO)C(C)(C)C1)[NH+](C)C ZINC000682009488 545053585 /nfs/dbraw/zinc/05/35/85/545053585.db2.gz AVBAAZGEAYVRNF-NSHDSACASA-N 2 2 257.378 -0.148 20 0 CBADLP CC[C@@H]([NH3+])C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000566297596 420444775 /nfs/dbraw/zinc/44/47/75/420444775.db2.gz HXKUJPTTXQANEY-LLVKDONJSA-N 2 2 281.360 -0.109 20 0 CBADLP COc1c(N)[nH+]cnc1NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000566478605 420446026 /nfs/dbraw/zinc/44/60/26/420446026.db2.gz MTZLTRLPZZDYBH-NSHDSACASA-N 2 2 295.387 0.572 20 0 CBADLP COc1c(N)nc[nH+]c1NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000566478605 420446028 /nfs/dbraw/zinc/44/60/28/420446028.db2.gz MTZLTRLPZZDYBH-NSHDSACASA-N 2 2 295.387 0.572 20 0 CBADLP C[NH2+]C[C@H](C)NC(=O)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000659693001 420450383 /nfs/dbraw/zinc/45/03/83/420450383.db2.gz CYUXYJIMHKHTEY-JTQLQIEISA-N 2 2 289.339 -0.325 20 0 CBADLP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCc1[nH+]ccn1CC(C)C ZINC000659697989 420450907 /nfs/dbraw/zinc/45/09/07/420450907.db2.gz QGFLBURFWHLCAA-LLVKDONJSA-N 2 2 295.387 -0.121 20 0 CBADLP CN1CC[NH2+]C[C@H]1CNc1nc(N)c2ccccc2[nH+]1 ZINC000568610625 420451392 /nfs/dbraw/zinc/45/13/92/420451392.db2.gz WHKBNBHXQJSBNB-JTQLQIEISA-N 2 2 272.356 -0.051 20 0 CBADLP O=C(NCCCn1cc[nH+]c1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659706113 420452814 /nfs/dbraw/zinc/45/28/14/420452814.db2.gz HYRVAFPVEVNFMT-UHFFFAOYSA-N 2 2 291.355 -0.742 20 0 CBADLP C[NH2+]C[C@H](C)NC(=O)C(=O)NCCCNc1cccc[nH+]1 ZINC000659703234 420453112 /nfs/dbraw/zinc/45/31/12/420453112.db2.gz XXNHWASEXXOBMN-NSHDSACASA-N 2 2 293.371 -0.276 20 0 CBADLP C[NH2+]C[C@H](C)NC(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000659705882 420453317 /nfs/dbraw/zinc/45/33/17/420453317.db2.gz BLHUJDWRWNRVNP-JTQLQIEISA-N 2 2 267.333 -0.887 20 0 CBADLP [NH3+]CC12CC(C1)CN2C(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000659706550 420454167 /nfs/dbraw/zinc/45/41/67/420454167.db2.gz MDZYESOXFUKQFP-UHFFFAOYSA-N 2 2 291.355 -0.661 20 0 CBADLP COc1c(N)[nH+]cnc1NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000573458968 420458691 /nfs/dbraw/zinc/45/86/91/420458691.db2.gz LPMBXGWFRBOPMY-UHFFFAOYSA-N 2 2 294.403 0.505 20 0 CBADLP CO[C@@H](C[NH+]1CCN(C(=O)C[NH+](C)C)CC1)[C@@H]1CCOC1 ZINC000659839197 420474399 /nfs/dbraw/zinc/47/43/99/420474399.db2.gz UXKKXLXTKQVCCG-KGLIPLIRSA-N 2 2 299.415 -0.256 20 0 CBADLP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)[C@@]1(CO)CCOC1 ZINC000660240026 420487248 /nfs/dbraw/zinc/48/72/48/420487248.db2.gz UTLFRCIGWBALMV-QWHCGFSZSA-N 2 2 260.378 -0.229 20 0 CBADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)[C@@]1(CO)CCOC1 ZINC000660240026 420487249 /nfs/dbraw/zinc/48/72/49/420487249.db2.gz UTLFRCIGWBALMV-QWHCGFSZSA-N 2 2 260.378 -0.229 20 0 CBADLP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)[C@@]1(CO)CCOC1 ZINC000660240026 420487250 /nfs/dbraw/zinc/48/72/50/420487250.db2.gz UTLFRCIGWBALMV-QWHCGFSZSA-N 2 2 260.378 -0.229 20 0 CBADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)[C@@]1(CO)CCOC1 ZINC000660240026 420487251 /nfs/dbraw/zinc/48/72/51/420487251.db2.gz UTLFRCIGWBALMV-QWHCGFSZSA-N 2 2 260.378 -0.229 20 0 CBADLP CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)[C@H]1CCNC1=O ZINC000660475329 420491966 /nfs/dbraw/zinc/49/19/66/420491966.db2.gz BCDYKVANVOBSLU-NEPJUHHUSA-N 2 2 257.378 -0.102 20 0 CBADLP CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)[C@H]1CCNC1=O ZINC000660475329 420491967 /nfs/dbraw/zinc/49/19/67/420491967.db2.gz BCDYKVANVOBSLU-NEPJUHHUSA-N 2 2 257.378 -0.102 20 0 CBADLP CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)[C@H]1CCNC1=O ZINC000660475329 420491969 /nfs/dbraw/zinc/49/19/69/420491969.db2.gz BCDYKVANVOBSLU-NEPJUHHUSA-N 2 2 257.378 -0.102 20 0 CBADLP CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)[C@H]1CCNC1=O ZINC000660475329 420491970 /nfs/dbraw/zinc/49/19/70/420491970.db2.gz BCDYKVANVOBSLU-NEPJUHHUSA-N 2 2 257.378 -0.102 20 0 CBADLP CC[C@@H]([NH3+])C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000518178973 260350774 /nfs/dbraw/zinc/35/07/74/260350774.db2.gz HPUQWCPVXXVKHK-CYBMUJFWSA-N 2 2 296.415 -0.216 20 0 CBADLP CC(=O)N1CC([NH2+]Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000518396475 260399286 /nfs/dbraw/zinc/39/92/86/260399286.db2.gz DWKOSCTUNQVSJB-UHFFFAOYSA-N 2 2 251.334 -0.194 20 0 CBADLP NC(=O)Cn1cc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])nn1 ZINC000521874685 269604958 /nfs/dbraw/zinc/60/49/58/269604958.db2.gz AYXCIXNEWIXISG-LLVKDONJSA-N 2 2 266.349 -0.533 20 0 CBADLP NC(=O)Cn1cc(C[N@H+]2CCCC[C@@H]2CC[NH3+])nn1 ZINC000521874685 269604959 /nfs/dbraw/zinc/60/49/59/269604959.db2.gz AYXCIXNEWIXISG-LLVKDONJSA-N 2 2 266.349 -0.533 20 0 CBADLP CC[N@H+](CCO)CCNC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000430271658 276132622 /nfs/dbraw/zinc/13/26/22/276132622.db2.gz YFHGJAADGVQJGI-GFCCVEGCSA-N 2 2 295.387 -0.189 20 0 CBADLP CC[N@@H+](CCO)CCNC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000430271658 276132624 /nfs/dbraw/zinc/13/26/24/276132624.db2.gz YFHGJAADGVQJGI-GFCCVEGCSA-N 2 2 295.387 -0.189 20 0 CBADLP CC[N@@H+]1CCOC[C@H]1C(=O)N1C[C@@H]2C[NH+](C)C[C@@H]2C1 ZINC000427795326 276389521 /nfs/dbraw/zinc/38/95/21/276389521.db2.gz YXKOGBORJPFCBI-XQQFMLRXSA-N 2 2 267.373 -0.273 20 0 CBADLP CC[N@H+]1CCOC[C@H]1C(=O)N1C[C@@H]2C[NH+](C)C[C@@H]2C1 ZINC000427795326 276389523 /nfs/dbraw/zinc/38/95/23/276389523.db2.gz YXKOGBORJPFCBI-XQQFMLRXSA-N 2 2 267.373 -0.273 20 0 CBADLP CC[NH+]1CCOC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000427795326 276389524 /nfs/dbraw/zinc/38/95/24/276389524.db2.gz YXKOGBORJPFCBI-XQQFMLRXSA-N 2 2 267.373 -0.273 20 0 CBADLP CC[NH+]1CCOC[C@H]1C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000427795326 276389525 /nfs/dbraw/zinc/38/95/25/276389525.db2.gz YXKOGBORJPFCBI-XQQFMLRXSA-N 2 2 267.373 -0.273 20 0 CBADLP CC[C@@]1(C(=O)NCC[NH+]2CCOCC2)CCC[NH2+]1 ZINC000128721055 276602375 /nfs/dbraw/zinc/60/23/75/276602375.db2.gz CJJUTRVZLZWGHI-ZDUSSCGKSA-N 2 2 255.362 -0.033 20 0 CBADLP C[N@H+](C[C@@H](O)C[NH+]1CC[C@@H](n2cncn2)C1)C1CC1 ZINC000685573210 545081786 /nfs/dbraw/zinc/08/17/86/545081786.db2.gz XARNPECZGXCOTE-CHWSQXEVSA-N 2 2 265.361 -0.020 20 0 CBADLP C[N@@H+](C[C@@H](O)C[NH+]1CC[C@@H](n2cncn2)C1)C1CC1 ZINC000685573210 545081788 /nfs/dbraw/zinc/08/17/88/545081788.db2.gz XARNPECZGXCOTE-CHWSQXEVSA-N 2 2 265.361 -0.020 20 0 CBADLP C[NH+](C[C@@H](O)C[N@@H+]1CC[C@@H](n2cncn2)C1)C1CC1 ZINC000685573210 545081789 /nfs/dbraw/zinc/08/17/89/545081789.db2.gz XARNPECZGXCOTE-CHWSQXEVSA-N 2 2 265.361 -0.020 20 0 CBADLP C[NH+](C[C@@H](O)C[N@H+]1CC[C@@H](n2cncn2)C1)C1CC1 ZINC000685573210 545081791 /nfs/dbraw/zinc/08/17/91/545081791.db2.gz XARNPECZGXCOTE-CHWSQXEVSA-N 2 2 265.361 -0.020 20 0 CBADLP Cn1cnc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000685734411 545082311 /nfs/dbraw/zinc/08/23/11/545082311.db2.gz STYQAHDETLKOJI-LLVKDONJSA-N 2 2 292.387 -0.287 20 0 CBADLP COC(=O)[C@@H](C)C[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000050068766 277073997 /nfs/dbraw/zinc/07/39/97/277073997.db2.gz ZZCUIPPCVFLAKB-NSHDSACASA-N 2 2 271.361 -0.499 20 0 CBADLP COC(=O)[C@@H](C)C[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000050068766 277073998 /nfs/dbraw/zinc/07/39/98/277073998.db2.gz ZZCUIPPCVFLAKB-NSHDSACASA-N 2 2 271.361 -0.499 20 0 CBADLP COCC[C@@H](CO)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000302251376 277235583 /nfs/dbraw/zinc/23/55/83/277235583.db2.gz CAIGQEXJWJISMS-JTQLQIEISA-N 2 2 256.350 -0.027 20 0 CBADLP CC(C)C[N@@H+](CC(N)=O)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351287999 277378444 /nfs/dbraw/zinc/37/84/44/277378444.db2.gz KSMYAPDAAMRJET-LBPRGKRZSA-N 2 2 257.378 -0.115 20 0 CBADLP CC(C)C[N@H+](CC(N)=O)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351287999 277378445 /nfs/dbraw/zinc/37/84/45/277378445.db2.gz KSMYAPDAAMRJET-LBPRGKRZSA-N 2 2 257.378 -0.115 20 0 CBADLP CC(C)C[NH+](CC(N)=O)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351287999 277378446 /nfs/dbraw/zinc/37/84/46/277378446.db2.gz KSMYAPDAAMRJET-LBPRGKRZSA-N 2 2 257.378 -0.115 20 0 CBADLP CC(C)C[NH+](CC(N)=O)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351287999 277378447 /nfs/dbraw/zinc/37/84/47/277378447.db2.gz KSMYAPDAAMRJET-LBPRGKRZSA-N 2 2 257.378 -0.115 20 0 CBADLP C[C@@H]1C[C@H](O)C[NH+]1CC(O)C[N@H+]1C[C@@H](O)C[C@H]1C ZINC000447260365 278032043 /nfs/dbraw/zinc/03/20/43/278032043.db2.gz YVDJOVIDQNIPTD-WYUUTHIRSA-N 2 2 258.362 -0.743 20 0 CBADLP C[C@@H]1C[C@H](O)C[NH+]1CC(O)C[N@@H+]1C[C@@H](O)C[C@H]1C ZINC000447260365 278032045 /nfs/dbraw/zinc/03/20/45/278032045.db2.gz YVDJOVIDQNIPTD-WYUUTHIRSA-N 2 2 258.362 -0.743 20 0 CBADLP CC(=O)N1CCN(C(=O)[C@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000424277509 278038171 /nfs/dbraw/zinc/03/81/71/278038171.db2.gz AOUMFNXTTGQERB-IACUBPJLSA-N 2 2 296.415 -0.075 20 0 CBADLP CCC[C@@](C)([NH3+])C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000364254416 278907105 /nfs/dbraw/zinc/90/71/05/278907105.db2.gz PPSZPWYXLJQXRJ-DGCLKSJQSA-N 2 2 254.378 -0.380 20 0 CBADLP CC(C)C[C@H](CNC(=O)[C@@H]1C[C@H](O)C[NH2+]1)[NH+]1CCOCC1 ZINC000040824632 279159689 /nfs/dbraw/zinc/15/96/89/279159689.db2.gz SCFKIQMZXYXLCE-RDBSUJKOSA-N 2 2 299.415 -0.428 20 0 CBADLP CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3COCC[NH2+]3)C2)CC1 ZINC000424173552 279367902 /nfs/dbraw/zinc/36/79/02/279367902.db2.gz LGGDZVCYSWQWQD-KGLIPLIRSA-N 2 2 296.415 -0.787 20 0 CBADLP CC[N@@H+]1CCOC[C@@H]1C(=O)N1C[C@@H]2C[NH+](C)C[C@@H]2C1 ZINC000427795325 279378862 /nfs/dbraw/zinc/37/88/62/279378862.db2.gz YXKOGBORJPFCBI-FRRDWIJNSA-N 2 2 267.373 -0.273 20 0 CBADLP CC[N@H+]1CCOC[C@@H]1C(=O)N1C[C@@H]2C[NH+](C)C[C@@H]2C1 ZINC000427795325 279378864 /nfs/dbraw/zinc/37/88/64/279378864.db2.gz YXKOGBORJPFCBI-FRRDWIJNSA-N 2 2 267.373 -0.273 20 0 CBADLP CC[NH+]1CCOC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000427795325 279378865 /nfs/dbraw/zinc/37/88/65/279378865.db2.gz YXKOGBORJPFCBI-FRRDWIJNSA-N 2 2 267.373 -0.273 20 0 CBADLP CC[NH+]1CCOC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000427795325 279378867 /nfs/dbraw/zinc/37/88/67/279378867.db2.gz YXKOGBORJPFCBI-FRRDWIJNSA-N 2 2 267.373 -0.273 20 0 CBADLP CC(C)[C@H]([NH3+])C(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC000037819270 280272390 /nfs/dbraw/zinc/27/23/90/280272390.db2.gz LNKHQQBWTBIEQI-ZDUSSCGKSA-N 2 2 284.404 -0.408 20 0 CBADLP CC(C)[C@H]([NH3+])C(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC000037819270 280272392 /nfs/dbraw/zinc/27/23/92/280272392.db2.gz LNKHQQBWTBIEQI-ZDUSSCGKSA-N 2 2 284.404 -0.408 20 0 CBADLP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000332596701 288315569 /nfs/dbraw/zinc/31/55/69/288315569.db2.gz MAIBBXLBOZDHQO-OLZOCXBDSA-N 2 2 294.399 -0.497 20 0 CBADLP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000332596701 288315571 /nfs/dbraw/zinc/31/55/71/288315571.db2.gz MAIBBXLBOZDHQO-OLZOCXBDSA-N 2 2 294.399 -0.497 20 0 CBADLP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000332596699 288315604 /nfs/dbraw/zinc/31/56/04/288315604.db2.gz MAIBBXLBOZDHQO-CHWSQXEVSA-N 2 2 294.399 -0.497 20 0 CBADLP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000332596699 288315606 /nfs/dbraw/zinc/31/56/06/288315606.db2.gz MAIBBXLBOZDHQO-CHWSQXEVSA-N 2 2 294.399 -0.497 20 0 CBADLP CC[C@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000353423879 288356852 /nfs/dbraw/zinc/35/68/52/288356852.db2.gz DXUUSIFOHPXRRM-VXGBXAGGSA-N 2 2 296.415 -0.217 20 0 CBADLP CN1C[C@H](C[NH+]2CCN(C(=O)C[NH+](C)C)CC2)OC1=O ZINC000496540777 282056362 /nfs/dbraw/zinc/05/63/62/282056362.db2.gz WBFIQQGZJYCFLG-LLVKDONJSA-N 2 2 284.360 -0.857 20 0 CBADLP C[NH+](C)C[C@@](C)(O)CNC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000367868969 289204071 /nfs/dbraw/zinc/20/40/71/289204071.db2.gz IFKOCWHCEUZFHZ-AWEZNQCLSA-N 2 2 299.415 -0.330 20 0 CBADLP C[NH+](C)C[C@](C)(O)CNC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000367868970 289219411 /nfs/dbraw/zinc/21/94/11/289219411.db2.gz IFKOCWHCEUZFHZ-CQSZACIVSA-N 2 2 299.415 -0.330 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246754220 289340657 /nfs/dbraw/zinc/34/06/57/289340657.db2.gz HIJMLOSALDZLHX-VWYCJHECSA-N 2 2 268.361 -0.014 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246754220 289340658 /nfs/dbraw/zinc/34/06/58/289340658.db2.gz HIJMLOSALDZLHX-VWYCJHECSA-N 2 2 268.361 -0.014 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000246754220 289340662 /nfs/dbraw/zinc/34/06/62/289340662.db2.gz HIJMLOSALDZLHX-VWYCJHECSA-N 2 2 268.361 -0.014 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000246754220 289340663 /nfs/dbraw/zinc/34/06/63/289340663.db2.gz HIJMLOSALDZLHX-VWYCJHECSA-N 2 2 268.361 -0.014 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCOC[C@]23CCOC3)CC1 ZINC000366990798 290010865 /nfs/dbraw/zinc/01/08/65/290010865.db2.gz VCSSAWIOVJRMEB-OAHLLOKOSA-N 2 2 297.399 -0.358 20 0 CBADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCOC[C@]23CCOC3)CC1 ZINC000366990798 290010866 /nfs/dbraw/zinc/01/08/66/290010866.db2.gz VCSSAWIOVJRMEB-OAHLLOKOSA-N 2 2 297.399 -0.358 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N[C@H](CO)C[NH+]2CCCCC2)C1 ZINC000330607622 290104989 /nfs/dbraw/zinc/10/49/89/290104989.db2.gz LXHNTZNIHUDNSC-STQMWFEESA-N 2 2 285.388 -0.720 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N[C@H](CO)C[NH+]2CCCCC2)C1 ZINC000330607622 290104991 /nfs/dbraw/zinc/10/49/91/290104991.db2.gz LXHNTZNIHUDNSC-STQMWFEESA-N 2 2 285.388 -0.720 20 0 CBADLP Cn1cc(C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])nn1 ZINC000261969863 294234449 /nfs/dbraw/zinc/23/44/49/294234449.db2.gz IAUMBZILFMUUER-LBPRGKRZSA-N 2 2 280.376 -0.365 20 0 CBADLP Cn1cc(C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])nn1 ZINC000261969863 294234454 /nfs/dbraw/zinc/23/44/54/294234454.db2.gz IAUMBZILFMUUER-LBPRGKRZSA-N 2 2 280.376 -0.365 20 0 CBADLP NC(=O)NC(=O)CC[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069859204 295070949 /nfs/dbraw/zinc/07/09/49/295070949.db2.gz YGWARMZRBXWBQT-GFCCVEGCSA-N 2 2 298.387 -0.384 20 0 CBADLP NC(=O)NC(=O)CC[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069859204 295070953 /nfs/dbraw/zinc/07/09/53/295070953.db2.gz YGWARMZRBXWBQT-GFCCVEGCSA-N 2 2 298.387 -0.384 20 0 CBADLP [NH3+][C@H]1CCc2ncc(NC(=O)[C@@H]3COCC[NH2+]3)cc2C1 ZINC000348996297 295342754 /nfs/dbraw/zinc/34/27/54/295342754.db2.gz XGCYLTJXMJBEIJ-GWCFXTLKSA-N 2 2 276.340 -0.176 20 0 CBADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000342256115 297265349 /nfs/dbraw/zinc/26/53/49/297265349.db2.gz DNJYFODGWQPODY-MCIONIFRSA-N 2 2 297.399 -0.361 20 0 CBADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000342256115 297265351 /nfs/dbraw/zinc/26/53/51/297265351.db2.gz DNJYFODGWQPODY-MCIONIFRSA-N 2 2 297.399 -0.361 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000365540953 298135191 /nfs/dbraw/zinc/13/51/91/298135191.db2.gz UELBHEMOAGCUHA-KXNHARMFSA-N 2 2 280.372 -0.014 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000365540953 298135194 /nfs/dbraw/zinc/13/51/94/298135194.db2.gz UELBHEMOAGCUHA-KXNHARMFSA-N 2 2 280.372 -0.014 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000365540953 298135195 /nfs/dbraw/zinc/13/51/95/298135195.db2.gz UELBHEMOAGCUHA-KXNHARMFSA-N 2 2 280.372 -0.014 20 0 CBADLP C[C@H](C(=O)NC(N)=O)[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000365540953 298135197 /nfs/dbraw/zinc/13/51/97/298135197.db2.gz UELBHEMOAGCUHA-KXNHARMFSA-N 2 2 280.372 -0.014 20 0 CBADLP C[C@H](NC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)C(=O)N(C)C ZINC000357082796 299055767 /nfs/dbraw/zinc/05/57/67/299055767.db2.gz PHKHKYAANQTLHH-SRVKXCTJSA-N 2 2 282.388 -0.879 20 0 CBADLP C[C@H](NC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)C(=O)N(C)C ZINC000357082796 299055771 /nfs/dbraw/zinc/05/57/71/299055771.db2.gz PHKHKYAANQTLHH-SRVKXCTJSA-N 2 2 282.388 -0.879 20 0 CBADLP C[C@H](NC(=O)C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1)C(=O)N(C)C ZINC000430916002 299056087 /nfs/dbraw/zinc/05/60/87/299056087.db2.gz GAFWIWUYFMIHTJ-VWYCJHECSA-N 2 2 270.377 -0.752 20 0 CBADLP C[C@H](NC(=O)C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1)C(=O)N(C)C ZINC000430916002 299056089 /nfs/dbraw/zinc/05/60/89/299056089.db2.gz GAFWIWUYFMIHTJ-VWYCJHECSA-N 2 2 270.377 -0.752 20 0 CBADLP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)CCn1cc[nH+]c1 ZINC000264555378 303330519 /nfs/dbraw/zinc/33/05/19/303330519.db2.gz POXJWYGNRFRSQB-GFCCVEGCSA-N 2 2 293.371 -0.271 20 0 CBADLP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)CCn1cc[nH+]c1 ZINC000264555378 303330522 /nfs/dbraw/zinc/33/05/22/303330522.db2.gz POXJWYGNRFRSQB-GFCCVEGCSA-N 2 2 293.371 -0.271 20 0 CBADLP CC[N@H+](CCO)CC[NH2+]C[C@H](O)Cn1cccn1 ZINC000575312321 335092492 /nfs/dbraw/zinc/09/24/92/335092492.db2.gz LYOREZSVVZVQHN-LBPRGKRZSA-N 2 2 256.350 -0.852 20 0 CBADLP CC[N@@H+](CCO)CC[NH2+]C[C@H](O)Cn1cccn1 ZINC000575312321 335092494 /nfs/dbraw/zinc/09/24/94/335092494.db2.gz LYOREZSVVZVQHN-LBPRGKRZSA-N 2 2 256.350 -0.852 20 0 CBADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@@H]2COC[C@H]2OC)CC1 ZINC000580071185 327690055 /nfs/dbraw/zinc/69/00/55/327690055.db2.gz OWGQMKJMDZRCHB-YNEHKIRRSA-N 2 2 285.388 -0.458 20 0 CBADLP O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000582064155 327826762 /nfs/dbraw/zinc/82/67/62/327826762.db2.gz WTQWCIWEIXQITK-IVZWLZJFSA-N 2 2 275.299 -0.427 20 0 CBADLP Cc1nsc(N2CC[NH+](CCN3CC[NH2+]CC3)CC2)n1 ZINC000563216593 327974843 /nfs/dbraw/zinc/97/48/43/327974843.db2.gz HYQLWCAONZWGEB-UHFFFAOYSA-N 2 2 296.444 -0.126 20 0 CBADLP COC(=O)CCNC(=O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000571057776 327995024 /nfs/dbraw/zinc/99/50/24/327995024.db2.gz GROIJZXWNVZSJL-UHFFFAOYSA-N 2 2 295.343 -0.789 20 0 CBADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+][C@H]2C[C@@H](O)C2)C[C@H](C)O1 ZINC000581726677 328011619 /nfs/dbraw/zinc/01/16/19/328011619.db2.gz XZMQYIZISFYMJQ-OFTGVCEQSA-N 2 2 258.362 -0.431 20 0 CBADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+][C@H]2C[C@@H](O)C2)C[C@H](C)O1 ZINC000581726677 328011620 /nfs/dbraw/zinc/01/16/20/328011620.db2.gz XZMQYIZISFYMJQ-OFTGVCEQSA-N 2 2 258.362 -0.431 20 0 CBADLP O=C1c2ccccc2C(=O)N1CC[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000563460596 328067988 /nfs/dbraw/zinc/06/79/88/328067988.db2.gz KWKSJYMXQBOHQB-LLVKDONJSA-N 2 2 289.335 -0.139 20 0 CBADLP C[N@@H+]1CCN(C(=O)NCC[C@H]2CCC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000563599315 328076299 /nfs/dbraw/zinc/07/62/99/328076299.db2.gz VGHWGZTYAKLIJO-CHWSQXEVSA-N 3 2 283.420 -0.340 20 0 CBADLP C[N@H+]1CCN(C(=O)NCC[C@H]2CCC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000563599315 328076301 /nfs/dbraw/zinc/07/63/01/328076301.db2.gz VGHWGZTYAKLIJO-CHWSQXEVSA-N 3 2 283.420 -0.340 20 0 CBADLP COC(=O)C[C@H]([NH3+])C(=O)N(C)CCCn1cc[nH+]c1 ZINC000571082627 328084905 /nfs/dbraw/zinc/08/49/05/328084905.db2.gz SGOUMDPICGXLQK-JTQLQIEISA-N 2 2 268.317 -0.378 20 0 CBADLP C[C@H](C(=O)NC1CCCC1)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000571299016 328100644 /nfs/dbraw/zinc/10/06/44/328100644.db2.gz JVPDUZCHKZVXMV-WXHSDQCUSA-N 2 2 294.399 -0.323 20 0 CBADLP C[C@H](C(=O)NC1CCCC1)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000571299016 328100646 /nfs/dbraw/zinc/10/06/46/328100646.db2.gz JVPDUZCHKZVXMV-WXHSDQCUSA-N 2 2 294.399 -0.323 20 0 CBADLP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000571315312 328104329 /nfs/dbraw/zinc/10/43/29/328104329.db2.gz FLLQNYNIMCMKAO-OWCLPIDISA-N 3 2 296.459 -0.189 20 0 CBADLP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000571315312 328104330 /nfs/dbraw/zinc/10/43/30/328104330.db2.gz FLLQNYNIMCMKAO-OWCLPIDISA-N 3 2 296.459 -0.189 20 0 CBADLP C[C@@H]1CCCCN1C(=O)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000571344570 328113637 /nfs/dbraw/zinc/11/36/37/328113637.db2.gz ULZLAGMCEPTCGS-UPJWGTAASA-N 2 2 294.399 -0.369 20 0 CBADLP C[C@@H]1CCCCN1C(=O)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000571344570 328113638 /nfs/dbraw/zinc/11/36/38/328113638.db2.gz ULZLAGMCEPTCGS-UPJWGTAASA-N 2 2 294.399 -0.369 20 0 CBADLP O=C(Nc1cc[nH+]cc1O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000571438263 328122007 /nfs/dbraw/zinc/12/20/07/328122007.db2.gz CJVBCAKMIHRCIJ-SECBINFHSA-N 2 2 288.311 -0.195 20 0 CBADLP [NH3+][C@H]1C[C@H]2C[N@@H+](CC(=O)NC3CCCC3)CCN2C1=O ZINC000572857082 328138534 /nfs/dbraw/zinc/13/85/34/328138534.db2.gz MZDIEVDARWKGGB-RYUDHWBXSA-N 2 2 280.372 -0.711 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](c3nnc[nH]3)C2)CC1 ZINC000571636637 328151393 /nfs/dbraw/zinc/15/13/93/328151393.db2.gz XGZXOXJHAVMSTM-LLVKDONJSA-N 2 2 278.360 -0.632 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](c3nnc[nH]3)C2)CC1 ZINC000571636637 328151395 /nfs/dbraw/zinc/15/13/95/328151395.db2.gz XGZXOXJHAVMSTM-LLVKDONJSA-N 2 2 278.360 -0.632 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@]12CCNC2=O)C1CC1 ZINC000576289772 335184274 /nfs/dbraw/zinc/18/42/74/335184274.db2.gz PHBYVFBAWSDSNA-GXTWGEPZSA-N 2 2 267.373 -0.204 20 0 CBADLP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@]12CCNC2=O)C1CC1 ZINC000576289772 335184276 /nfs/dbraw/zinc/18/42/76/335184276.db2.gz PHBYVFBAWSDSNA-GXTWGEPZSA-N 2 2 267.373 -0.204 20 0 CBADLP C[N@H+](C[C@H](O)C[NH+]1CCC[C@]12CCNC2=O)C1CC1 ZINC000576289772 335184273 /nfs/dbraw/zinc/18/42/73/335184273.db2.gz PHBYVFBAWSDSNA-GXTWGEPZSA-N 2 2 267.373 -0.204 20 0 CBADLP C[NH+](C[C@H](O)C[N@H+]1CCC[C@]12CCNC2=O)C1CC1 ZINC000576289772 335184278 /nfs/dbraw/zinc/18/42/78/335184278.db2.gz PHBYVFBAWSDSNA-GXTWGEPZSA-N 2 2 267.373 -0.204 20 0 CBADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@H]1CC[NH2+]C1 ZINC000563821085 328521409 /nfs/dbraw/zinc/52/14/09/328521409.db2.gz DGPLVFFQVBGDMH-AVGNSLFASA-N 2 2 282.388 -0.147 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](N2CCCC2=O)C1 ZINC000565724607 327000202 /nfs/dbraw/zinc/00/02/02/327000202.db2.gz PHUNMLGQPBUJSL-OLZOCXBDSA-N 2 2 269.389 -0.004 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](N2CCCC2=O)C1 ZINC000565724607 327000200 /nfs/dbraw/zinc/00/02/00/327000200.db2.gz PHUNMLGQPBUJSL-OLZOCXBDSA-N 2 2 269.389 -0.004 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000565724607 327000204 /nfs/dbraw/zinc/00/02/04/327000204.db2.gz PHUNMLGQPBUJSL-OLZOCXBDSA-N 2 2 269.389 -0.004 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000565724607 327000205 /nfs/dbraw/zinc/00/02/05/327000205.db2.gz PHUNMLGQPBUJSL-OLZOCXBDSA-N 2 2 269.389 -0.004 20 0 CBADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)C[NH+]1CC(C)(C)C1 ZINC000557597267 327014959 /nfs/dbraw/zinc/01/49/59/327014959.db2.gz RGUKMEUGAUTDPI-GFCCVEGCSA-N 2 2 268.405 -0.310 20 0 CBADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C[NH+]1CC(C)(C)C1 ZINC000557597267 327014961 /nfs/dbraw/zinc/01/49/61/327014961.db2.gz RGUKMEUGAUTDPI-GFCCVEGCSA-N 2 2 268.405 -0.310 20 0 CBADLP C[NH2+][C@@H]1CCCN(C(=O)[C@H](C)[NH+]2CCN(C)CC2)C1 ZINC000569003739 327028713 /nfs/dbraw/zinc/02/87/13/327028713.db2.gz RATVOCOMHRFZIL-QWHCGFSZSA-N 2 2 268.405 -0.167 20 0 CBADLP COC(=O)CCNC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000581311153 327079716 /nfs/dbraw/zinc/07/97/16/327079716.db2.gz IYKPEIIOXQUSTQ-WDEREUQCSA-N 2 2 269.345 -0.793 20 0 CBADLP COC(=O)CCNC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000581311153 327079717 /nfs/dbraw/zinc/07/97/17/327079717.db2.gz IYKPEIIOXQUSTQ-WDEREUQCSA-N 2 2 269.345 -0.793 20 0 CBADLP [NH3+][C@@H]1C[C@H]2C[N@H+](CC(=O)NCC3CCC3)CCN2C1=O ZINC000573339725 327137519 /nfs/dbraw/zinc/13/75/19/327137519.db2.gz VOUJDCDLAYBWKB-NWDGAFQWSA-N 2 2 280.372 -0.854 20 0 CBADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](CC(=O)NCC3CCC3)CCN2C1=O ZINC000573339725 327137520 /nfs/dbraw/zinc/13/75/20/327137520.db2.gz VOUJDCDLAYBWKB-NWDGAFQWSA-N 2 2 280.372 -0.854 20 0 CBADLP COc1ccnc(CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])n1 ZINC000569448675 327178798 /nfs/dbraw/zinc/17/87/98/327178798.db2.gz GPSHUTRVECZDRI-SNVBAGLBSA-N 2 2 294.359 -0.731 20 0 CBADLP COc1ccnc(CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])n1 ZINC000569448675 327178799 /nfs/dbraw/zinc/17/87/99/327178799.db2.gz GPSHUTRVECZDRI-SNVBAGLBSA-N 2 2 294.359 -0.731 20 0 CBADLP C[NH2+]C[C@@H]1CCC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000566246199 327257990 /nfs/dbraw/zinc/25/79/90/327257990.db2.gz LVJBBCBEKSQWAB-LBPRGKRZSA-N 3 2 254.378 -0.508 20 0 CBADLP C[NH2+]C[C@@H]1CCC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000566246199 327257991 /nfs/dbraw/zinc/25/79/91/327257991.db2.gz LVJBBCBEKSQWAB-LBPRGKRZSA-N 3 2 254.378 -0.508 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@](C)(C(=O)OC)C1 ZINC000560466116 327311705 /nfs/dbraw/zinc/31/17/05/327311705.db2.gz QIFWDQZXZUVCGD-JSGCOSHPSA-N 2 2 288.388 -0.190 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@](C)(C(=O)OC)C1 ZINC000560466116 327311706 /nfs/dbraw/zinc/31/17/06/327311706.db2.gz QIFWDQZXZUVCGD-JSGCOSHPSA-N 2 2 288.388 -0.190 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@](C)(C(=O)OC)C1 ZINC000560466116 327311707 /nfs/dbraw/zinc/31/17/07/327311707.db2.gz QIFWDQZXZUVCGD-JSGCOSHPSA-N 2 2 288.388 -0.190 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@](C)(C(=O)OC)C1 ZINC000560466116 327311708 /nfs/dbraw/zinc/31/17/08/327311708.db2.gz QIFWDQZXZUVCGD-JSGCOSHPSA-N 2 2 288.388 -0.190 20 0 CBADLP CCOC[C@@H](O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000569617990 327324012 /nfs/dbraw/zinc/32/40/12/327324012.db2.gz APZSOJXHTZJQGO-NSHDSACASA-N 2 2 254.334 -0.071 20 0 CBADLP COC(=O)[C@](C)(O)C[NH+]1CCC(CO)([NH2+]C(C)C)CC1 ZINC000569705661 327538520 /nfs/dbraw/zinc/53/85/20/327538520.db2.gz CEWKEGDJDQJGGV-CYBMUJFWSA-N 2 2 288.388 -0.265 20 0 CBADLP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000583565263 328616107 /nfs/dbraw/zinc/61/61/07/328616107.db2.gz XOGWRVIOOXEFRK-WDEREUQCSA-N 2 2 281.360 -0.369 20 0 CBADLP COC[C@]1(C(=O)NCC[N@@H+]2CCO[C@H](C)C2)CC[NH2+]C1 ZINC000582548707 329105791 /nfs/dbraw/zinc/10/57/91/329105791.db2.gz UIACCYPVXWIKCY-OCCSQVGLSA-N 2 2 285.388 -0.551 20 0 CBADLP COC[C@]1(C(=O)NCC[N@H+]2CCO[C@H](C)C2)CC[NH2+]C1 ZINC000582548707 329105792 /nfs/dbraw/zinc/10/57/92/329105792.db2.gz UIACCYPVXWIKCY-OCCSQVGLSA-N 2 2 285.388 -0.551 20 0 CBADLP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]([NH3+])c2cscn2)CCO1 ZINC000582724417 329130886 /nfs/dbraw/zinc/13/08/86/329130886.db2.gz SSXFZNYZRXVZPQ-MWLCHTKSSA-N 2 2 284.385 -0.068 20 0 CBADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+][C@@H]2CC[C@H]2O)C[C@@H](C)O1 ZINC000582786287 329196856 /nfs/dbraw/zinc/19/68/56/329196856.db2.gz YCGOZSSZBRXXOK-UJPOAAIJSA-N 2 2 258.362 -0.431 20 0 CBADLP C[N@@H+]1CCN(C(=O)NC[C@H]2CCC[NH2+]2)[C@H](C[NH3+])C1 ZINC000582894791 329282245 /nfs/dbraw/zinc/28/22/45/329282245.db2.gz POCXMSLSSWLTAH-GHMZBOCLSA-N 3 2 255.366 -0.977 20 0 CBADLP C[N@H+]1CCN(C(=O)NC[C@H]2CCC[NH2+]2)[C@H](C[NH3+])C1 ZINC000582894791 329282246 /nfs/dbraw/zinc/28/22/46/329282246.db2.gz POCXMSLSSWLTAH-GHMZBOCLSA-N 3 2 255.366 -0.977 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](n2ccnn2)C1 ZINC000582973435 329296822 /nfs/dbraw/zinc/29/68/22/329296822.db2.gz ZBJSGDNCNJSMGM-KBPBESRZSA-N 2 2 297.403 -0.146 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](n2ccnn2)C1 ZINC000582973435 329296823 /nfs/dbraw/zinc/29/68/23/329296823.db2.gz ZBJSGDNCNJSMGM-KBPBESRZSA-N 2 2 297.403 -0.146 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000582973435 329296824 /nfs/dbraw/zinc/29/68/24/329296824.db2.gz ZBJSGDNCNJSMGM-KBPBESRZSA-N 2 2 297.403 -0.146 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000582973435 329296825 /nfs/dbraw/zinc/29/68/25/329296825.db2.gz ZBJSGDNCNJSMGM-KBPBESRZSA-N 2 2 297.403 -0.146 20 0 CBADLP C[C@H]([NH3+])C1CCN(C(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000584409007 329459520 /nfs/dbraw/zinc/45/95/20/329459520.db2.gz OVJLTGPPONDCCZ-JTQLQIEISA-N 2 2 268.361 -0.996 20 0 CBADLP CCN1C[C@H]([NH2+]C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1=O ZINC000572114309 329945767 /nfs/dbraw/zinc/94/57/67/329945767.db2.gz NJIGWETXOUIDIY-FQUUOJAGSA-N 2 2 299.415 -0.333 20 0 CBADLP CC(C)N(C(=O)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)C(C)C ZINC000572424304 330067652 /nfs/dbraw/zinc/06/76/52/330067652.db2.gz CYYTUTVLHQVUGG-STQMWFEESA-N 2 2 296.415 -0.124 20 0 CBADLP CC(C)N(C(=O)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)C(C)C ZINC000572424304 330067653 /nfs/dbraw/zinc/06/76/53/330067653.db2.gz CYYTUTVLHQVUGG-STQMWFEESA-N 2 2 296.415 -0.124 20 0 CBADLP Cn1nccc1/C=C/C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000162610206 330082651 /nfs/dbraw/zinc/08/26/51/330082651.db2.gz HDBUPRLDWFLLPS-AAOUONPWSA-N 2 2 263.345 -0.465 20 0 CBADLP Cn1nccc1/C=C/C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000162610206 330082652 /nfs/dbraw/zinc/08/26/52/330082652.db2.gz HDBUPRLDWFLLPS-AAOUONPWSA-N 2 2 263.345 -0.465 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CC2(CO)COC2)CC1 ZINC000162635043 330090301 /nfs/dbraw/zinc/09/03/01/330090301.db2.gz FCPGFHVWBSVATF-CYBMUJFWSA-N 2 2 297.399 -0.766 20 0 CBADLP COC(=O)CCNC(=O)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000575748438 335111752 /nfs/dbraw/zinc/11/17/52/335111752.db2.gz MBSRPRDGPDUFHL-JTQLQIEISA-N 2 2 257.334 -0.664 20 0 CBADLP COC(=O)CCNC(=O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000575748438 335111753 /nfs/dbraw/zinc/11/17/53/335111753.db2.gz MBSRPRDGPDUFHL-JTQLQIEISA-N 2 2 257.334 -0.664 20 0 CBADLP COC[C@H](O)CC[NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000572960483 334895209 /nfs/dbraw/zinc/89/52/09/334895209.db2.gz BCQDCFDHTYVRDE-FQUUOJAGSA-N 2 2 290.404 -0.557 20 0 CBADLP C[N@@H+]1CCC[C@H]2CN(C(=O)CN3CC[NH2+]CC3=O)CC[C@@H]21 ZINC000572518199 333048128 /nfs/dbraw/zinc/04/81/28/333048128.db2.gz DHULAVOLMRGFCU-STQMWFEESA-N 2 2 294.399 -0.639 20 0 CBADLP C[N@H+]1CCC[C@H]2CN(C(=O)CN3CC[NH2+]CC3=O)CC[C@@H]21 ZINC000572518199 333048129 /nfs/dbraw/zinc/04/81/29/333048129.db2.gz DHULAVOLMRGFCU-STQMWFEESA-N 2 2 294.399 -0.639 20 0 CBADLP Cc1[nH+]cc(C[NH2+]CCS(=O)(=O)N(C)C)n1C ZINC000576053561 335146653 /nfs/dbraw/zinc/14/66/53/335146653.db2.gz UEVNKAPELNFNLJ-UHFFFAOYSA-N 2 2 260.363 -0.290 20 0 CBADLP Cc1c[nH+]ccc1NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000564231176 333728759 /nfs/dbraw/zinc/72/87/59/333728759.db2.gz WTFOMPWBNOTXFC-WDEREUQCSA-N 2 2 289.339 -0.412 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)[C@@H]1CCC[C@H]1O ZINC000576237667 335175807 /nfs/dbraw/zinc/17/58/07/335175807.db2.gz GFSBTLLDKWUOMM-JHJVBQTASA-N 2 2 260.378 -0.229 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@@H]1CCC[C@H]1O ZINC000576237667 335175808 /nfs/dbraw/zinc/17/58/08/335175808.db2.gz GFSBTLLDKWUOMM-JHJVBQTASA-N 2 2 260.378 -0.229 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)[C@@H]1CCC[C@H]1O ZINC000576237667 335175810 /nfs/dbraw/zinc/17/58/10/335175810.db2.gz GFSBTLLDKWUOMM-JHJVBQTASA-N 2 2 260.378 -0.229 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@@H]1CCC[C@H]1O ZINC000576237667 335175812 /nfs/dbraw/zinc/17/58/12/335175812.db2.gz GFSBTLLDKWUOMM-JHJVBQTASA-N 2 2 260.378 -0.229 20 0 CBADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]Cc2cnn(C)c2)C[C@@H](C)O1 ZINC000553458419 334386391 /nfs/dbraw/zinc/38/63/91/334386391.db2.gz ZSAONVHPQRPNSM-YRGRVCCFSA-N 2 2 282.388 -0.020 20 0 CBADLP C[NH2+]C[C@](C)(O)C[NH+]1CCN(c2cccnn2)CC1 ZINC000565425759 334562876 /nfs/dbraw/zinc/56/28/76/334562876.db2.gz HAYMNPOGEUQWQV-ZDUSSCGKSA-N 2 2 265.361 -0.431 20 0 CBADLP [NH3+]CC(F)(F)CNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000565492942 334568979 /nfs/dbraw/zinc/56/89/79/334568979.db2.gz YHNLCBJSZMQKHP-UHFFFAOYSA-N 2 2 297.265 -0.017 20 0 CBADLP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000567271655 334699722 /nfs/dbraw/zinc/69/97/22/334699722.db2.gz DZDRSRWVCPQGQG-LXTVHRRPSA-N 3 2 282.432 -0.363 20 0 CBADLP CC[C@@H]([NH3+])C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000567498249 334725801 /nfs/dbraw/zinc/72/58/01/334725801.db2.gz MTBHSOFJEJWONU-SNVBAGLBSA-N 2 2 251.334 -0.209 20 0 CBADLP C[C@@H]1CN(C[C@@H](O)C[NH2+]CCn2cc[nH+]c2)C[C@H](C)O1 ZINC000568621602 334832945 /nfs/dbraw/zinc/83/29/45/334832945.db2.gz XEBNWPMTTJLIGF-MJBXVCDLSA-N 2 2 282.388 -0.057 20 0 CBADLP C[C@@H]1CN(C[C@H](O)C[NH2+]CCn2cc[nH+]c2)C[C@@H](C)O1 ZINC000568621601 334833067 /nfs/dbraw/zinc/83/30/67/334833067.db2.gz XEBNWPMTTJLIGF-MGPQQGTHSA-N 2 2 282.388 -0.057 20 0 CBADLP C[NH+](C)CC(=O)N1CC[NH+](CC[C@@H]2CCNC2=O)CC1 ZINC000576596020 335224323 /nfs/dbraw/zinc/22/43/23/335224323.db2.gz RNGAMQMMLXOOTO-LBPRGKRZSA-N 2 2 282.388 -0.782 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000576753260 335243370 /nfs/dbraw/zinc/24/33/70/335243370.db2.gz FEWFFYMCANICDO-CHWSQXEVSA-N 2 2 298.431 -0.053 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000576753260 335243372 /nfs/dbraw/zinc/24/33/72/335243372.db2.gz FEWFFYMCANICDO-CHWSQXEVSA-N 2 2 298.431 -0.053 20 0 CBADLP Cc1csc(=O)n1CCC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000576941425 335267012 /nfs/dbraw/zinc/26/70/12/335267012.db2.gz GGKDXWUGIJPDJR-LLVKDONJSA-N 2 2 298.412 -0.290 20 0 CBADLP Cc1csc(=O)n1CCC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000576941425 335267014 /nfs/dbraw/zinc/26/70/14/335267014.db2.gz GGKDXWUGIJPDJR-LLVKDONJSA-N 2 2 298.412 -0.290 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)C[C@@H]1COCC[NH2+]1 ZINC000580557336 335280265 /nfs/dbraw/zinc/28/02/65/335280265.db2.gz BDRAYTXMOZFNIF-GFCCVEGCSA-N 2 2 271.361 -0.845 20 0 CBADLP CC(C)[C@@H](NC(=O)CN1CC[NH2+]CC1=O)c1[nH]cc[nH+]1 ZINC000580643771 335309865 /nfs/dbraw/zinc/30/98/65/335309865.db2.gz FUVVZCOBWOJAMZ-GFCCVEGCSA-N 2 2 279.344 -0.345 20 0 CBADLP CN(CCCN1CC[NH+](C)CC1)C(=O)[C@@H]1CSC[NH2+]1 ZINC000577399655 335348696 /nfs/dbraw/zinc/34/86/96/335348696.db2.gz OJNBTOOKGITKMK-LBPRGKRZSA-N 2 2 286.445 -0.255 20 0 CBADLP CN(CCC[NH+]1CCN(C)CC1)C(=O)[C@@H]1CSC[NH2+]1 ZINC000577399655 335348698 /nfs/dbraw/zinc/34/86/98/335348698.db2.gz OJNBTOOKGITKMK-LBPRGKRZSA-N 2 2 286.445 -0.255 20 0 CBADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]C[C@@H](O)C(F)F)C[C@@H](C)O1 ZINC000577492828 335358700 /nfs/dbraw/zinc/35/87/00/335358700.db2.gz NZFJUEJGGPXFGC-GWOFURMSSA-N 2 2 282.331 -0.328 20 0 CBADLP C[C@@H](C(=O)NCC[C@H]1CCC[NH2+]1)[NH+]1CCN(C)CC1 ZINC000577514532 335363155 /nfs/dbraw/zinc/36/31/55/335363155.db2.gz IEGIACNHCSDYEK-QWHCGFSZSA-N 2 2 268.405 -0.119 20 0 CBADLP C[N@H+](C[C@H](O)C[NH2+][C@@H]1C[C@@H](O)[C@H]1n1cccn1)C1CC1 ZINC000577729841 335393321 /nfs/dbraw/zinc/39/33/21/335393321.db2.gz DBJOTZTYGULQAT-SYQHCUMBSA-N 2 2 280.372 -0.398 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1C[C@@H](O)[C@H]1n1cccn1)C1CC1 ZINC000577729841 335393322 /nfs/dbraw/zinc/39/33/22/335393322.db2.gz DBJOTZTYGULQAT-SYQHCUMBSA-N 2 2 280.372 -0.398 20 0 CBADLP C[N@H+](C[C@H](O)C[NH2+][C@@H]1C[C@H](O)[C@H]1n1cccn1)C1CC1 ZINC000577729840 335393389 /nfs/dbraw/zinc/39/33/89/335393389.db2.gz DBJOTZTYGULQAT-MQYQWHSLSA-N 2 2 280.372 -0.398 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1C[C@H](O)[C@H]1n1cccn1)C1CC1 ZINC000577729840 335393391 /nfs/dbraw/zinc/39/33/91/335393391.db2.gz DBJOTZTYGULQAT-MQYQWHSLSA-N 2 2 280.372 -0.398 20 0 CBADLP C[C@H](CC(=O)N1CCN(C)C[C@H]1C[NH3+])n1cc[nH+]c1 ZINC000577882623 335416914 /nfs/dbraw/zinc/41/69/14/335416914.db2.gz ZCNNSIIKMYRHLY-VXGBXAGGSA-N 2 2 265.361 -0.065 20 0 CBADLP CN(C)c1[nH+]cc(C[NH2+]CCC(=O)NC(N)=O)n1C ZINC000578880969 335684551 /nfs/dbraw/zinc/68/45/51/335684551.db2.gz NCIRQBQKIYWWJI-UHFFFAOYSA-N 2 2 268.321 -0.839 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)CC(F)(F)C[NH3+])CC1 ZINC000579726507 335874428 /nfs/dbraw/zinc/87/44/28/335874428.db2.gz IZPXHKKEWDGNNV-UHFFFAOYSA-N 2 2 292.330 -0.749 20 0 CBADLP C[NH2+]C[C@](C)(O)C[NH+]1CCN(c2cnccn2)CC1 ZINC000581553677 336101854 /nfs/dbraw/zinc/10/18/54/336101854.db2.gz ZYGCEFSSYZUVJG-ZDUSSCGKSA-N 2 2 265.361 -0.431 20 0 CBADLP COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)C2(C)C[NH2+]C2)C1 ZINC000581606278 336111285 /nfs/dbraw/zinc/11/12/85/336111285.db2.gz BJOMWSIGWCTDEW-NSHDSACASA-N 2 2 283.372 -0.403 20 0 CBADLP COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)C2(C)C[NH2+]C2)C1 ZINC000581606278 336111286 /nfs/dbraw/zinc/11/12/86/336111286.db2.gz BJOMWSIGWCTDEW-NSHDSACASA-N 2 2 283.372 -0.403 20 0 CBADLP COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)C2(C)C[NH2+]C2)C1 ZINC000581606277 336111334 /nfs/dbraw/zinc/11/13/34/336111334.db2.gz BJOMWSIGWCTDEW-LLVKDONJSA-N 2 2 283.372 -0.403 20 0 CBADLP COC(=O)C[N@H+]1CCC[C@H](CNC(=O)C2(C)C[NH2+]C2)C1 ZINC000581606277 336111335 /nfs/dbraw/zinc/11/13/35/336111335.db2.gz BJOMWSIGWCTDEW-LLVKDONJSA-N 2 2 283.372 -0.403 20 0 CBADLP COC(=O)CCNC(=O)C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000581608416 336111758 /nfs/dbraw/zinc/11/17/58/336111758.db2.gz DEENKOTVNHUUFG-ZJUUUORDSA-N 2 2 257.334 -0.665 20 0 CBADLP COC(=O)CCNC(=O)C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000581608416 336111759 /nfs/dbraw/zinc/11/17/59/336111759.db2.gz DEENKOTVNHUUFG-ZJUUUORDSA-N 2 2 257.334 -0.665 20 0 CBADLP C[N@H+](CC(=O)NCCCN1CCCC1=O)C1CC([NH3+])C1 ZINC000581667320 336125195 /nfs/dbraw/zinc/12/51/95/336125195.db2.gz CXZWIDATVWFABO-UHFFFAOYSA-N 2 2 282.388 -0.463 20 0 CBADLP C[N@@H+](CC(=O)NCCCN1CCCC1=O)C1CC([NH3+])C1 ZINC000581667320 336125196 /nfs/dbraw/zinc/12/51/96/336125196.db2.gz CXZWIDATVWFABO-UHFFFAOYSA-N 2 2 282.388 -0.463 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)[C@H]1CCC(=O)N(C)C1 ZINC000581675648 336127123 /nfs/dbraw/zinc/12/71/23/336127123.db2.gz ZRWQJXHSXAFOQB-QWHCGFSZSA-N 2 2 287.404 -0.522 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@H]1CCC(=O)N(C)C1 ZINC000581675648 336127125 /nfs/dbraw/zinc/12/71/25/336127125.db2.gz ZRWQJXHSXAFOQB-QWHCGFSZSA-N 2 2 287.404 -0.522 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)[C@H]1CCC(=O)N(C)C1 ZINC000581675648 336127127 /nfs/dbraw/zinc/12/71/27/336127127.db2.gz ZRWQJXHSXAFOQB-QWHCGFSZSA-N 2 2 287.404 -0.522 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@H]1CCC(=O)N(C)C1 ZINC000581675648 336127128 /nfs/dbraw/zinc/12/71/28/336127128.db2.gz ZRWQJXHSXAFOQB-QWHCGFSZSA-N 2 2 287.404 -0.522 20 0 CBADLP Cc1[nH+]cc(C[NH2+]C[C@](C)(O)CN2CCOCC2)n1C ZINC000581737586 336140630 /nfs/dbraw/zinc/14/06/30/336140630.db2.gz LRWWKWLCWFBCKL-AWEZNQCLSA-N 2 2 282.388 -0.099 20 0 CBADLP CCOC(=O)CC[C@@H](O)C[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000385617715 336152744 /nfs/dbraw/zinc/15/27/44/336152744.db2.gz DHZITGHHXHLPGV-CHWSQXEVSA-N 2 2 287.404 -0.474 20 0 CBADLP CCOC(=O)CC[C@@H](O)C[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000385617715 336152745 /nfs/dbraw/zinc/15/27/45/336152745.db2.gz DHZITGHHXHLPGV-CHWSQXEVSA-N 2 2 287.404 -0.474 20 0 CBADLP C[C@H](NC(=O)C(C)(C)c1c[nH]c[nH+]1)C(=O)NCC[NH+](C)C ZINC000581894230 336162145 /nfs/dbraw/zinc/16/21/45/336162145.db2.gz MOTHXDVJKMLZBV-JTQLQIEISA-N 2 2 295.387 -0.130 20 0 CBADLP COCCCNC(=O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000386144360 336166822 /nfs/dbraw/zinc/16/68/22/336166822.db2.gz OBCXTYVARHJZNC-NEPJUHHUSA-N 2 2 255.362 -0.320 20 0 CBADLP COCCCNC(=O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000386144360 336166823 /nfs/dbraw/zinc/16/68/23/336166823.db2.gz OBCXTYVARHJZNC-NEPJUHHUSA-N 2 2 255.362 -0.320 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000386444354 336174444 /nfs/dbraw/zinc/17/44/44/336174444.db2.gz QIXSOXZNPUSBFZ-QJPTWQEYSA-N 2 2 255.362 -0.491 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000386444354 336174445 /nfs/dbraw/zinc/17/44/45/336174445.db2.gz QIXSOXZNPUSBFZ-QJPTWQEYSA-N 2 2 255.362 -0.491 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000386444354 336174447 /nfs/dbraw/zinc/17/44/47/336174447.db2.gz QIXSOXZNPUSBFZ-QJPTWQEYSA-N 2 2 255.362 -0.491 20 0 CBADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000386444354 336174449 /nfs/dbraw/zinc/17/44/49/336174449.db2.gz QIXSOXZNPUSBFZ-QJPTWQEYSA-N 2 2 255.362 -0.491 20 0 CBADLP COCC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000581977398 336182011 /nfs/dbraw/zinc/18/20/11/336182011.db2.gz VATPEMQGVAWVOK-NSHDSACASA-N 2 2 252.318 -0.280 20 0 CBADLP COCC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000581977398 336182013 /nfs/dbraw/zinc/18/20/13/336182013.db2.gz VATPEMQGVAWVOK-NSHDSACASA-N 2 2 252.318 -0.280 20 0 CBADLP COCC[N@H+](C)CCN[C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000133978454 582124871 /nfs/dbraw/zinc/12/48/71/582124871.db2.gz AFOPPXHYTYGDGC-CHWSQXEVSA-N 2 2 259.394 -0.079 20 0 CBADLP COCC[N@@H+](C)CCN[C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000133978454 582124873 /nfs/dbraw/zinc/12/48/73/582124873.db2.gz AFOPPXHYTYGDGC-CHWSQXEVSA-N 2 2 259.394 -0.079 20 0 CBADLP CNC(=O)[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)C(C)C ZINC000775433435 582352538 /nfs/dbraw/zinc/35/25/38/582352538.db2.gz BRLRLAQPHKHXMI-NEPJUHHUSA-N 2 2 257.378 -0.197 20 0 CBADLP C[C@H](NC(=O)[C@@]1(F)CC[NH2+]C1)[C@H](C)[NH+]1CCOCC1 ZINC000378209087 533722073 /nfs/dbraw/zinc/72/20/73/533722073.db2.gz XEMMFZFLDJLAPW-GMXVVIOVSA-N 2 2 273.352 -0.087 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)/C=C/C[NH+](C)C ZINC000491686721 533856643 /nfs/dbraw/zinc/85/66/43/533856643.db2.gz SGFFDGFMLVPMQG-ITKZLYELSA-N 2 2 255.362 -0.059 20 0 CBADLP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000373801634 518182591 /nfs/dbraw/zinc/18/25/91/518182591.db2.gz VUOYYFTUIUGBKY-AVGNSLFASA-N 2 2 296.415 -0.217 20 0 CBADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H]1CCCO1 ZINC000157383105 522436793 /nfs/dbraw/zinc/43/67/93/522436793.db2.gz KLYCFISKCJZNHY-GFCCVEGCSA-N 2 2 255.362 -0.129 20 0 CBADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H]1CCCO1 ZINC000157383105 522436805 /nfs/dbraw/zinc/43/68/05/522436805.db2.gz KLYCFISKCJZNHY-GFCCVEGCSA-N 2 2 255.362 -0.129 20 0 CBADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000377948143 527724648 /nfs/dbraw/zinc/72/46/48/527724648.db2.gz IGCLROFPNIDYNF-CYBMUJFWSA-N 2 2 299.415 -0.378 20 0 CBADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000377948143 527724650 /nfs/dbraw/zinc/72/46/50/527724650.db2.gz IGCLROFPNIDYNF-CYBMUJFWSA-N 2 2 299.415 -0.378 20 0 CBADLP CC[NH+](CC)CC(=O)N1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC000116277397 528085047 /nfs/dbraw/zinc/08/50/47/528085047.db2.gz FCLXZIDDKKUYDW-CYBMUJFWSA-N 2 2 296.415 -0.297 20 0 CBADLP CCC[C@](C)([NH3+])C(=O)N1CCC[N@H+](CC(=O)NC)CC1 ZINC000376823530 528461989 /nfs/dbraw/zinc/46/19/89/528461989.db2.gz PMCMUPDUMRKGMF-AWEZNQCLSA-N 2 2 284.404 -0.216 20 0 CBADLP CCC[C@](C)([NH3+])C(=O)N1CCC[N@@H+](CC(=O)NC)CC1 ZINC000376823530 528461995 /nfs/dbraw/zinc/46/19/95/528461995.db2.gz PMCMUPDUMRKGMF-AWEZNQCLSA-N 2 2 284.404 -0.216 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000354780936 529120322 /nfs/dbraw/zinc/12/03/22/529120322.db2.gz FCOHITRVPRFIEL-UHFFFAOYSA-N 2 2 296.415 -0.249 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)NCCn2cc[nH+]c2)CC1 ZINC000284087229 529121207 /nfs/dbraw/zinc/12/12/07/529121207.db2.gz UPZGLTIHGIUEKB-UHFFFAOYSA-N 2 2 279.344 -0.837 20 0 CBADLP CC(C)NC(=O)C[NH+]1CCC(N2CC[N@H+](C)CC2=O)CC1 ZINC000378596332 529128854 /nfs/dbraw/zinc/12/88/54/529128854.db2.gz IMXSHDFZFLABDD-UHFFFAOYSA-N 2 2 296.415 -0.251 20 0 CBADLP CC(C)NC(=O)C[NH+]1CCC(N2CC[N@@H+](C)CC2=O)CC1 ZINC000378596332 529128856 /nfs/dbraw/zinc/12/88/56/529128856.db2.gz IMXSHDFZFLABDD-UHFFFAOYSA-N 2 2 296.415 -0.251 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C[C@@H]([NH3+])C1CC1 ZINC000123652667 582119509 /nfs/dbraw/zinc/11/95/09/582119509.db2.gz LWAQODGRLKIUIX-ZYHUDNBSSA-N 2 2 255.362 -0.049 20 0 CBADLP CN1C(=O)C(=O)N(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)C1=O ZINC000129276671 582122981 /nfs/dbraw/zinc/12/29/81/582122981.db2.gz XRWPHBUPQXACTO-MNOVXSKESA-N 2 2 294.355 -0.219 20 0 CBADLP CN1C(=O)C(=O)N(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)C1=O ZINC000129276671 582122982 /nfs/dbraw/zinc/12/29/82/582122982.db2.gz XRWPHBUPQXACTO-MNOVXSKESA-N 2 2 294.355 -0.219 20 0 CBADLP CN1C(=O)C(=O)N(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)C1=O ZINC000129276671 582122983 /nfs/dbraw/zinc/12/29/83/582122983.db2.gz XRWPHBUPQXACTO-MNOVXSKESA-N 2 2 294.355 -0.219 20 0 CBADLP CN1C(=O)C(=O)N(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)C1=O ZINC000129276671 582122984 /nfs/dbraw/zinc/12/29/84/582122984.db2.gz XRWPHBUPQXACTO-MNOVXSKESA-N 2 2 294.355 -0.219 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCCC3(C2)OCCO3)CC1 ZINC000134034562 582124754 /nfs/dbraw/zinc/12/47/54/582124754.db2.gz NQAROEMHGXFFAL-UHFFFAOYSA-N 2 2 283.372 -0.401 20 0 CBADLP C[NH+]1CCN(C(=O)C[N@H+]2CCCC3(C2)OCCO3)CC1 ZINC000134034562 582124755 /nfs/dbraw/zinc/12/47/55/582124755.db2.gz NQAROEMHGXFFAL-UHFFFAOYSA-N 2 2 283.372 -0.401 20 0 CBADLP COCCN(C)CC[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000133978454 582124870 /nfs/dbraw/zinc/12/48/70/582124870.db2.gz AFOPPXHYTYGDGC-CHWSQXEVSA-N 2 2 259.394 -0.079 20 0 CBADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)N2CCO[C@@H](C)C2)C1 ZINC000221293431 582128626 /nfs/dbraw/zinc/12/86/26/582128626.db2.gz PGVSLVOQYLBFMK-RYUDHWBXSA-N 2 2 255.362 -0.225 20 0 CBADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)N2CCO[C@@H](C)C2)C1 ZINC000221293431 582128627 /nfs/dbraw/zinc/12/86/27/582128627.db2.gz PGVSLVOQYLBFMK-RYUDHWBXSA-N 2 2 255.362 -0.225 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)N2CC[NH+](C)CC2)CCO1 ZINC000726258556 582136836 /nfs/dbraw/zinc/13/68/36/582136836.db2.gz XJQSQHNHXBDTRR-GFCCVEGCSA-N 2 2 270.377 -0.336 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)N2CC[NH+](C)CC2)CCO1 ZINC000726258556 582136837 /nfs/dbraw/zinc/13/68/37/582136837.db2.gz XJQSQHNHXBDTRR-GFCCVEGCSA-N 2 2 270.377 -0.336 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=S)NCC[NH+](C)C ZINC000729162492 582145790 /nfs/dbraw/zinc/14/57/90/582145790.db2.gz UUWAXYIIWNXBRV-LLVKDONJSA-N 2 2 274.434 -0.267 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=S)NCC[NH+](C)C ZINC000729162492 582145791 /nfs/dbraw/zinc/14/57/91/582145791.db2.gz UUWAXYIIWNXBRV-LLVKDONJSA-N 2 2 274.434 -0.267 20 0 CBADLP NS(=O)(=O)CC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000740876774 582265623 /nfs/dbraw/zinc/26/56/23/582265623.db2.gz DWSRYYZGSQLDKP-JTQLQIEISA-N 2 2 258.347 -0.192 20 0 CBADLP NS(=O)(=O)CC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000740876774 582265624 /nfs/dbraw/zinc/26/56/24/582265624.db2.gz DWSRYYZGSQLDKP-JTQLQIEISA-N 2 2 258.347 -0.192 20 0 CBADLP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000746219422 582283907 /nfs/dbraw/zinc/28/39/07/582283907.db2.gz RCBXWZDWHDHVMA-STQMWFEESA-N 2 2 296.415 -0.121 20 0 CBADLP CC(C)(C(N)=O)[NH+]1CCN(C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000750985479 582292370 /nfs/dbraw/zinc/29/23/70/582292370.db2.gz ZMKZQGLOTVGTJQ-ZDUSSCGKSA-N 2 2 298.431 -0.675 20 0 CBADLP CC[NH2+]CC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000754272930 582299124 /nfs/dbraw/zinc/29/91/24/582299124.db2.gz FVJQUPRGWRJTLV-UHFFFAOYSA-N 2 2 282.388 -0.638 20 0 CBADLP C[NH+](C)CC(=O)N1CC[NH+](CCC2OCCCO2)CC1 ZINC000754667598 582299959 /nfs/dbraw/zinc/29/99/59/582299959.db2.gz CACWVMFZASMZEP-UHFFFAOYSA-N 2 2 285.388 -0.155 20 0 CBADLP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000755207872 582301121 /nfs/dbraw/zinc/30/11/21/582301121.db2.gz LFQDDOKBCOCRKY-KBPBESRZSA-N 2 2 269.389 -0.541 20 0 CBADLP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000755207872 582301122 /nfs/dbraw/zinc/30/11/22/582301122.db2.gz LFQDDOKBCOCRKY-KBPBESRZSA-N 2 2 269.389 -0.541 20 0 CBADLP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000755207874 582301132 /nfs/dbraw/zinc/30/11/32/582301132.db2.gz LFQDDOKBCOCRKY-KGLIPLIRSA-N 2 2 269.389 -0.541 20 0 CBADLP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CCN2CCOC[C@H]2C1 ZINC000755207874 582301133 /nfs/dbraw/zinc/30/11/33/582301133.db2.gz LFQDDOKBCOCRKY-KGLIPLIRSA-N 2 2 269.389 -0.541 20 0 CBADLP C[NH+](C)CCNC(=S)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000760299584 582312920 /nfs/dbraw/zinc/31/29/20/582312920.db2.gz UEBMAKRFKPLOFF-MNOVXSKESA-N 2 2 272.418 -0.563 20 0 CBADLP C[NH+](C)CCNC(=S)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000760299584 582312921 /nfs/dbraw/zinc/31/29/21/582312921.db2.gz UEBMAKRFKPLOFF-MNOVXSKESA-N 2 2 272.418 -0.563 20 0 CBADLP NC(=O)N[C@@H]1CC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000762927116 582318749 /nfs/dbraw/zinc/31/87/49/582318749.db2.gz YPROGZCOSUYGKK-GHMZBOCLSA-N 2 2 256.350 -0.814 20 0 CBADLP NC(=O)N[C@@H]1CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000762927116 582318750 /nfs/dbraw/zinc/31/87/50/582318750.db2.gz YPROGZCOSUYGKK-GHMZBOCLSA-N 2 2 256.350 -0.814 20 0 CBADLP O=C(NC1=[NH+]CCS1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000763275431 582320011 /nfs/dbraw/zinc/32/00/11/582320011.db2.gz IGBBKXOPTAMZMF-SECBINFHSA-N 2 2 254.359 -0.405 20 0 CBADLP O=C(NC1=[NH+]CCS1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000763275431 582320012 /nfs/dbraw/zinc/32/00/12/582320012.db2.gz IGBBKXOPTAMZMF-SECBINFHSA-N 2 2 254.359 -0.405 20 0 CBADLP C[N@H+](C[C@H](O)C[NH+]1CCCC1)[C@@]1(CO)CCOC1 ZINC000763892697 582321528 /nfs/dbraw/zinc/32/15/28/582321528.db2.gz HSKKNXCIMBMJQS-QWHCGFSZSA-N 2 2 258.362 -0.474 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH+]1CCCC1)[C@@]1(CO)CCOC1 ZINC000763892697 582321529 /nfs/dbraw/zinc/32/15/29/582321529.db2.gz HSKKNXCIMBMJQS-QWHCGFSZSA-N 2 2 258.362 -0.474 20 0 CBADLP CC[NH+](CC(=O)NC)[C@@H](C)CC[N@@H+](CC)CC(=O)NC ZINC000764203415 582322534 /nfs/dbraw/zinc/32/25/34/582322534.db2.gz YFXSOTSCLIUAOG-LBPRGKRZSA-N 2 2 286.420 -0.099 20 0 CBADLP CC[NH+](CC(=O)NC)[C@@H](C)CC[N@H+](CC)CC(=O)NC ZINC000764203415 582322535 /nfs/dbraw/zinc/32/25/35/582322535.db2.gz YFXSOTSCLIUAOG-LBPRGKRZSA-N 2 2 286.420 -0.099 20 0 CBADLP CC[NH+](CC[C@H](C)[N@H+](CC)CC(=O)NC)CC(=O)NC ZINC000764203415 582322536 /nfs/dbraw/zinc/32/25/36/582322536.db2.gz YFXSOTSCLIUAOG-LBPRGKRZSA-N 2 2 286.420 -0.099 20 0 CBADLP CC[NH+](CC[C@H](C)[N@@H+](CC)CC(=O)NC)CC(=O)NC ZINC000764203415 582322537 /nfs/dbraw/zinc/32/25/37/582322537.db2.gz YFXSOTSCLIUAOG-LBPRGKRZSA-N 2 2 286.420 -0.099 20 0 CBADLP C[NH+](C)CCNC(=S)NCC1([NH+]2CCOCC2)CC1 ZINC000765975620 582329326 /nfs/dbraw/zinc/32/93/26/582329326.db2.gz HJJJYCYMUJCGMH-UHFFFAOYSA-N 2 2 286.445 -0.123 20 0 CBADLP COC(=O)C[C@]1([NH2+]C[C@@H](O)C[NH+]2CCCC2)CCOC1 ZINC000767034323 582331620 /nfs/dbraw/zinc/33/16/20/582331620.db2.gz XCQSLORJUKFZAK-TZMCWYRMSA-N 2 2 286.372 -0.245 20 0 CBADLP CON(C)C(=O)C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000774763923 582351298 /nfs/dbraw/zinc/35/12/98/582351298.db2.gz OQSPGBOSKVOUBC-KGLIPLIRSA-N 2 2 298.431 -0.036 20 0 CBADLP CON(C)C(=O)C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000774763923 582351299 /nfs/dbraw/zinc/35/12/99/582351299.db2.gz OQSPGBOSKVOUBC-KGLIPLIRSA-N 2 2 298.431 -0.036 20 0 CBADLP Cn1cc([C@@H](CO)[NH2+]C[C@@H](O)C[NH+]2CCCC2)cn1 ZINC000778135235 582358072 /nfs/dbraw/zinc/35/80/72/582358072.db2.gz CEDXVWUJGQWCQR-CHWSQXEVSA-N 2 2 268.361 -0.500 20 0 CBADLP CC[NH+](CC)CC(=O)N[C@H](Cn1cc[nH+]c1)C(=O)OC ZINC000779565186 582361891 /nfs/dbraw/zinc/36/18/91/582361891.db2.gz FECKBWPSWMXBJS-LLVKDONJSA-N 2 2 282.344 -0.117 20 0 CBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cnn(C)n1 ZINC000786158670 582378059 /nfs/dbraw/zinc/37/80/59/582378059.db2.gz FMPJSYGBBJVTHZ-UHFFFAOYSA-N 2 2 294.403 -0.087 20 0 CBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cnn(C)n1 ZINC000786158670 582378060 /nfs/dbraw/zinc/37/80/60/582378060.db2.gz FMPJSYGBBJVTHZ-UHFFFAOYSA-N 2 2 294.403 -0.087 20 0 CBADLP O=C(N[C@@H]1CCc2c[nH+]cn2C1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000804333135 582429898 /nfs/dbraw/zinc/42/98/98/582429898.db2.gz FYYARELTKVOAMI-TZMCWYRMSA-N 2 2 289.383 -0.296 20 0 CBADLP O=C(N[C@@H]1CCc2c[nH+]cn2C1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000804333135 582429899 /nfs/dbraw/zinc/42/98/99/582429899.db2.gz FYYARELTKVOAMI-TZMCWYRMSA-N 2 2 289.383 -0.296 20 0 CBADLP C[NH+](C)C[C@@H](CO)NC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000808172479 582441829 /nfs/dbraw/zinc/44/18/29/582441829.db2.gz SQQJODWBJXKDRJ-LBPRGKRZSA-N 2 2 289.339 -0.080 20 0 CBADLP Cn1cnc(C[NH2+]CCC(=O)N2CC[NH+](C)CC2)c1 ZINC000808386936 582443186 /nfs/dbraw/zinc/44/31/86/582443186.db2.gz LXSDCFSZGFTVQW-UHFFFAOYSA-N 2 2 265.361 -0.326 20 0 CBADLP Cn1cnc(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)c1 ZINC000808389870 582443193 /nfs/dbraw/zinc/44/31/93/582443193.db2.gz XKXCQUVZFBZJJM-AWEZNQCLSA-N 2 2 293.415 -0.084 20 0 CBADLP OC[C@@H]1CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C[C@@H]1O ZINC000808750246 582444187 /nfs/dbraw/zinc/44/41/87/582444187.db2.gz HEXIKUYDGDFVOE-AVGNSLFASA-N 2 2 258.362 -0.882 20 0 CBADLP OC[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C[C@@H]1O ZINC000808750246 582444188 /nfs/dbraw/zinc/44/41/88/582444188.db2.gz HEXIKUYDGDFVOE-AVGNSLFASA-N 2 2 258.362 -0.882 20 0 CBADLP C[NH+]1CCN(C(=O)CC[NH2+][C@]2(C)CCOC2=O)CC1 ZINC000810097709 582448126 /nfs/dbraw/zinc/44/81/26/582448126.db2.gz LDPRJBQXBRZVAH-CYBMUJFWSA-N 2 2 269.345 -0.554 20 0 CBADLP CC1(C)OCC(CO)([NH2+]CCn2cc[nH+]c2)CO1 ZINC000812838938 582453074 /nfs/dbraw/zinc/45/30/74/582453074.db2.gz ZRKAKSGZKNLTBP-UHFFFAOYSA-N 2 2 255.318 -0.013 20 0 CBADLP CC1(C)OCC(CO)([NH2+]C[C@@H](O)C[NH+]2CCCC2)CO1 ZINC000812837674 582453158 /nfs/dbraw/zinc/45/31/58/582453158.db2.gz HFPILZFSNMEGNO-GFCCVEGCSA-N 2 2 288.388 -0.453 20 0 CBADLP C[C@H](C[NH2+]Cc1cnn(C)n1)N1CC[NH+](C)CC1 ZINC000815124066 582461132 /nfs/dbraw/zinc/46/11/32/582461132.db2.gz VCYHVTMMBMPECK-LLVKDONJSA-N 2 2 252.366 -0.459 20 0 CBADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCS(=O)(=O)N1CCOCC1 ZINC000817909639 582496344 /nfs/dbraw/zinc/49/63/44/582496344.db2.gz XJOSSHSUSUGKPF-RYUDHWBXSA-N 2 2 291.417 -0.764 20 0 CBADLP C[C@H]([NH2+]CCS(=O)(=O)N1CCOCC1)[C@@H]1CCC[NH2+]1 ZINC000817908682 582496399 /nfs/dbraw/zinc/49/63/99/582496399.db2.gz HMQNOQSZWKTWOW-RYUDHWBXSA-N 2 2 291.417 -0.622 20 0 CBADLP O=C(C[NH+]1CCCC1)N(CCO)CC[NH+]1CCOCC1 ZINC000821096847 582592987 /nfs/dbraw/zinc/59/29/87/582592987.db2.gz DUVNZMUUXZPUBJ-UHFFFAOYSA-N 2 2 285.388 -0.765 20 0 CBADLP COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C[NH+]1CCCC1 ZINC000821348608 582599982 /nfs/dbraw/zinc/59/99/82/582599982.db2.gz DVNBGSDRGNWAQW-NSHDSACASA-N 2 2 280.328 -0.294 20 0 CBADLP COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C[NH+]1CCCC1 ZINC000821348608 582599984 /nfs/dbraw/zinc/59/99/84/582599984.db2.gz DVNBGSDRGNWAQW-NSHDSACASA-N 2 2 280.328 -0.294 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@H]2CCC(=O)O2)CC1 ZINC000821387727 582603228 /nfs/dbraw/zinc/60/32/28/582603228.db2.gz WNSBEHGHRKGPAF-CHWSQXEVSA-N 2 2 295.383 -0.070 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@H]2CCC(=O)O2)CC1 ZINC000821387727 582603232 /nfs/dbraw/zinc/60/32/32/582603232.db2.gz WNSBEHGHRKGPAF-CHWSQXEVSA-N 2 2 295.383 -0.070 20 0 CBADLP Cn1nc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1C=O ZINC000824958376 582716928 /nfs/dbraw/zinc/71/69/28/582716928.db2.gz WZEXGYWZKQIKIE-UHFFFAOYSA-N 2 2 295.387 -0.154 20 0 CBADLP Cn1nc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1C=O ZINC000824958376 582716930 /nfs/dbraw/zinc/71/69/30/582716930.db2.gz WZEXGYWZKQIKIE-UHFFFAOYSA-N 2 2 295.387 -0.154 20 0 CBADLP COCC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000826796236 582789114 /nfs/dbraw/zinc/78/91/14/582789114.db2.gz GUTPWJOQDYCRHS-SNVBAGLBSA-N 2 2 252.318 -0.211 20 0 CBADLP COCC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000826796236 582789117 /nfs/dbraw/zinc/78/91/17/582789117.db2.gz GUTPWJOQDYCRHS-SNVBAGLBSA-N 2 2 252.318 -0.211 20 0 CBADLP C[NH+]1CCN(C(=O)CCNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000827500839 582819290 /nfs/dbraw/zinc/81/92/90/582819290.db2.gz LRMZFXKQAPUDMS-UHFFFAOYSA-N 2 2 279.344 -0.768 20 0 CBADLP CC(C)(CO)[NH+]1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000831285512 582974788 /nfs/dbraw/zinc/97/47/88/582974788.db2.gz MRECGPRVQBLVRT-UHFFFAOYSA-N 2 2 266.345 -0.133 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)CCCCC[NH3+])CC1 ZINC000831823017 583004163 /nfs/dbraw/zinc/00/41/63/583004163.db2.gz RYHFOFDGZAQVHK-UHFFFAOYSA-N 2 2 284.404 -0.214 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)C[C@@H]([NH3+])C2CC2)CC1 ZINC000831823288 583004247 /nfs/dbraw/zinc/00/42/47/583004247.db2.gz VVUIYAYGTNRFKS-CYBMUJFWSA-N 2 2 282.388 -0.606 20 0 CBADLP CC1(C)CN(C(=O)Cc2[nH]cc[nH+]2)CC[N@@H+]1CCO ZINC000832655352 583034422 /nfs/dbraw/zinc/03/44/22/583034422.db2.gz MVQIUGFSRGGPSL-UHFFFAOYSA-N 2 2 266.345 -0.133 20 0 CBADLP CC1(C)CN(C(=O)Cc2[nH]cc[nH+]2)CC[N@H+]1CCO ZINC000832655352 583034425 /nfs/dbraw/zinc/03/44/25/583034425.db2.gz MVQIUGFSRGGPSL-UHFFFAOYSA-N 2 2 266.345 -0.133 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NCC[N@@H+]1CCCOCC1 ZINC000832707929 583037911 /nfs/dbraw/zinc/03/79/11/583037911.db2.gz HBZNSAVWYXWSKJ-UHFFFAOYSA-N 2 2 252.318 -0.209 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)NCC[N@H+]1CCCOCC1 ZINC000832707929 583037914 /nfs/dbraw/zinc/03/79/14/583037914.db2.gz HBZNSAVWYXWSKJ-UHFFFAOYSA-N 2 2 252.318 -0.209 20 0 CBADLP C[N@@H+]1CCN(C(=O)c2cc3c([nH]c2=O)CCC3)[C@H](C[NH3+])C1 ZINC000834299505 583119881 /nfs/dbraw/zinc/11/98/81/583119881.db2.gz SOYAWGWOICUBDU-LLVKDONJSA-N 2 2 290.367 -0.009 20 0 CBADLP C[N@H+]1CCN(C(=O)c2cc3c([nH]c2=O)CCC3)[C@H](C[NH3+])C1 ZINC000834299505 583119884 /nfs/dbraw/zinc/11/98/84/583119884.db2.gz SOYAWGWOICUBDU-LLVKDONJSA-N 2 2 290.367 -0.009 20 0 CBADLP C[N@@H+]1CC[C@@H]2CN(C(=S)NCC[NH+]3CCOCC3)C[C@@H]21 ZINC000840799649 583167941 /nfs/dbraw/zinc/16/79/41/583167941.db2.gz IKJNVFVQKGYMHZ-OLZOCXBDSA-N 2 2 298.456 -0.171 20 0 CBADLP C[N@H+]1CC[C@@H]2CN(C(=S)NCC[NH+]3CCOCC3)C[C@@H]21 ZINC000840799649 583167942 /nfs/dbraw/zinc/16/79/42/583167942.db2.gz IKJNVFVQKGYMHZ-OLZOCXBDSA-N 2 2 298.456 -0.171 20 0 CBADLP Cc1ccc(NC(=O)C(=O)N(C)C2C[NH2+]C2)c(N(C)C)[nH+]1 ZINC000841242251 583168758 /nfs/dbraw/zinc/16/87/58/583168758.db2.gz DUARGCNQBCXYMH-UHFFFAOYSA-N 2 2 291.355 -0.175 20 0 CBADLP C[N@@H+]1CCN(C(=O)NC[C@@H]2CCC=CO2)[C@@H](C[NH3+])C1 ZINC000841884866 583176159 /nfs/dbraw/zinc/17/61/59/583176159.db2.gz RLTBNAZVBVPPKL-RYUDHWBXSA-N 2 2 268.361 -0.037 20 0 CBADLP C[N@H+]1CCN(C(=O)NC[C@@H]2CCC=CO2)[C@@H](C[NH3+])C1 ZINC000841884866 583176160 /nfs/dbraw/zinc/17/61/60/583176160.db2.gz RLTBNAZVBVPPKL-RYUDHWBXSA-N 2 2 268.361 -0.037 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000842512879 583184687 /nfs/dbraw/zinc/18/46/87/583184687.db2.gz IWPHXXDVCUYHIO-HNNXBMFYSA-N 2 2 296.415 -0.203 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000842512879 583184689 /nfs/dbraw/zinc/18/46/89/583184689.db2.gz IWPHXXDVCUYHIO-HNNXBMFYSA-N 2 2 296.415 -0.203 20 0 CBADLP CC1(C)C[NH2+]CCN1C(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC000843351800 583211623 /nfs/dbraw/zinc/21/16/23/583211623.db2.gz DRFNEORLQYBQBS-UHFFFAOYSA-N 2 2 263.345 -0.121 20 0 CBADLP O=C(CC[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1)N1CC[NH2+]CC1 ZINC000843389962 583214479 /nfs/dbraw/zinc/21/44/79/583214479.db2.gz DQYBHJJSDMWMIF-AWEZNQCLSA-N 3 2 266.389 -0.364 20 0 CBADLP O=C(CC[N@H+]1CC[C@@]2(CCC[NH2+]2)C1)N1CC[NH2+]CC1 ZINC000843389962 583214482 /nfs/dbraw/zinc/21/44/82/583214482.db2.gz DQYBHJJSDMWMIF-AWEZNQCLSA-N 3 2 266.389 -0.364 20 0 CBADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CN1CC[NH2+]CC1=O ZINC000843452141 583220975 /nfs/dbraw/zinc/22/09/75/583220975.db2.gz OSHDXKUPWZZURA-YOGCLGLASA-N 2 2 280.372 -0.711 20 0 CBADLP C[C@@H]1[C@H](C(=O)NCCC[NH+]2CCNC(=O)C2)CC[N@@H+]1C ZINC000843837579 583238471 /nfs/dbraw/zinc/23/84/71/583238471.db2.gz QUFXZWKZXOBQBQ-VXGBXAGGSA-N 2 2 282.388 -0.735 20 0 CBADLP C[C@@H]1[C@H](C(=O)NCCC[NH+]2CCNC(=O)C2)CC[N@H+]1C ZINC000843837579 583238474 /nfs/dbraw/zinc/23/84/74/583238474.db2.gz QUFXZWKZXOBQBQ-VXGBXAGGSA-N 2 2 282.388 -0.735 20 0 CBADLP C[C@@H]1[C@H](C(=O)NCCC[N@@H+]2CCNC(=O)C2)CC[NH+]1C ZINC000843837579 583238476 /nfs/dbraw/zinc/23/84/76/583238476.db2.gz QUFXZWKZXOBQBQ-VXGBXAGGSA-N 2 2 282.388 -0.735 20 0 CBADLP C[C@@H]1[C@H](C(=O)NCCC[N@H+]2CCNC(=O)C2)CC[NH+]1C ZINC000843837579 583238481 /nfs/dbraw/zinc/23/84/81/583238481.db2.gz QUFXZWKZXOBQBQ-VXGBXAGGSA-N 2 2 282.388 -0.735 20 0 CBADLP C[C@H](NC(=O)CO[C@H]1CCC[NH2+]C1)[C@H](C)[NH+]1CCOCC1 ZINC000844183414 583258895 /nfs/dbraw/zinc/25/88/95/583258895.db2.gz ZUVWBCIFOONTKQ-IHRRRGAJSA-N 2 2 299.415 -0.020 20 0 CBADLP CC[NH2+]CC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000844185151 583259663 /nfs/dbraw/zinc/25/96/63/583259663.db2.gz GYLAANSUNGKNAV-LBPRGKRZSA-N 3 2 268.405 -0.119 20 0 CBADLP CC[NH2+]CC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000844185151 583259665 /nfs/dbraw/zinc/25/96/65/583259665.db2.gz GYLAANSUNGKNAV-LBPRGKRZSA-N 3 2 268.405 -0.119 20 0 CBADLP C[NH+](C)CCN1CC[N@H+](CC[C@H]2CCOC2=O)CC1=O ZINC000844376777 583268723 /nfs/dbraw/zinc/26/87/23/583268723.db2.gz STCCKZUADPKAJX-LBPRGKRZSA-N 2 2 283.372 -0.355 20 0 CBADLP C[NH+](C)CCN1CC[N@@H+](CC[C@H]2CCOC2=O)CC1=O ZINC000844376777 583268726 /nfs/dbraw/zinc/26/87/26/583268726.db2.gz STCCKZUADPKAJX-LBPRGKRZSA-N 2 2 283.372 -0.355 20 0 CBADLP C[NH+](C)CCN1CC[N@H+](CC[C@@H]2CCOC2=O)CC1=O ZINC000844376776 583268959 /nfs/dbraw/zinc/26/89/59/583268959.db2.gz STCCKZUADPKAJX-GFCCVEGCSA-N 2 2 283.372 -0.355 20 0 CBADLP C[NH+](C)CCN1CC[N@@H+](CC[C@@H]2CCOC2=O)CC1=O ZINC000844376776 583268963 /nfs/dbraw/zinc/26/89/63/583268963.db2.gz STCCKZUADPKAJX-GFCCVEGCSA-N 2 2 283.372 -0.355 20 0 CBADLP C[NH+]1CCC(ONC(=O)CC[NH+]2CCOCC2)CC1 ZINC000846648753 583379853 /nfs/dbraw/zinc/37/98/53/583379853.db2.gz WHYBYFZOGJUEQQ-UHFFFAOYSA-N 2 2 271.361 -0.149 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCC(=O)OCC1CC1 ZINC000846670846 583381816 /nfs/dbraw/zinc/38/18/16/583381816.db2.gz UELIEFKSHZMZMA-JTQLQIEISA-N 2 2 257.334 -0.665 20 0 CBADLP C[C@@H]1CCC[N@@H+]1CCNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000846716608 583385615 /nfs/dbraw/zinc/38/56/15/583385615.db2.gz DFCVWIHDOANTRO-NEPJUHHUSA-N 3 2 256.394 -0.134 20 0 CBADLP C[C@@H]1CCC[N@H+]1CCNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000846716608 583385617 /nfs/dbraw/zinc/38/56/17/583385617.db2.gz DFCVWIHDOANTRO-NEPJUHHUSA-N 3 2 256.394 -0.134 20 0 CBADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)[C@H]1CCCCNC1=O ZINC000846797664 583387400 /nfs/dbraw/zinc/38/74/00/583387400.db2.gz CUWKYLWRZDYXNN-OLZOCXBDSA-N 2 2 287.404 -0.474 20 0 CBADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@H]1CCCCNC1=O ZINC000846797664 583387403 /nfs/dbraw/zinc/38/74/03/583387403.db2.gz CUWKYLWRZDYXNN-OLZOCXBDSA-N 2 2 287.404 -0.474 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)[C@H]1CCCCNC1=O ZINC000846797664 583387406 /nfs/dbraw/zinc/38/74/06/583387406.db2.gz CUWKYLWRZDYXNN-OLZOCXBDSA-N 2 2 287.404 -0.474 20 0 CBADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@H]1CCCCNC1=O ZINC000846797664 583387408 /nfs/dbraw/zinc/38/74/08/583387408.db2.gz CUWKYLWRZDYXNN-OLZOCXBDSA-N 2 2 287.404 -0.474 20 0 CBADLP O=C(CC[NH+]1CCOCC1)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000847940049 583419224 /nfs/dbraw/zinc/41/92/24/583419224.db2.gz MPWZKRIQIMQRSO-UHFFFAOYSA-N 2 2 293.371 -0.219 20 0 CBADLP C[C@H]1C[NH+]=C(NCC2([NH+]3CCOCC3)CCOCC2)N1 ZINC000849040063 583471140 /nfs/dbraw/zinc/47/11/40/583471140.db2.gz INRHJDUVDMMAQM-LBPRGKRZSA-N 2 2 282.388 -0.195 20 0 CBADLP CNC(=[NH2+])NCC1([NH+]2CCOCC2)CCOCC1 ZINC000849040029 583471206 /nfs/dbraw/zinc/47/12/06/583471206.db2.gz GCJRHSQVYGFPDU-UHFFFAOYSA-N 2 2 256.350 -0.388 20 0 CBADLP C[NH+](C)CCNC(=S)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000849289469 583476447 /nfs/dbraw/zinc/47/64/47/583476447.db2.gz MOVHDYOYKCSQBB-LBPRGKRZSA-N 2 2 286.445 -0.171 20 0 CBADLP NC(=O)C1=NO[C@@H](C[NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000850278663 583499165 /nfs/dbraw/zinc/49/91/65/583499165.db2.gz HZSVZERJHFHBTJ-SECBINFHSA-N 2 2 263.301 -0.451 20 0 CBADLP O=C1CC[C@H]([N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)C(=O)N1 ZINC000852008136 583533297 /nfs/dbraw/zinc/53/32/97/583533297.db2.gz FIMRAPIRMVKQMR-OLZOCXBDSA-N 2 2 295.383 -0.022 20 0 CBADLP O=C1CC[C@H]([N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)C(=O)N1 ZINC000852008136 583533298 /nfs/dbraw/zinc/53/32/98/583533298.db2.gz FIMRAPIRMVKQMR-OLZOCXBDSA-N 2 2 295.383 -0.022 20 0 CBADLP C[NH+](C)CCN1CC[N@H+](C[C@H]2CCC(=O)O2)CC1=O ZINC000852210424 583540812 /nfs/dbraw/zinc/54/08/12/583540812.db2.gz DVZFBGUHHRWBPG-LLVKDONJSA-N 2 2 269.345 -0.602 20 0 CBADLP C[NH+](C)CCN1CC[N@@H+](C[C@H]2CCC(=O)O2)CC1=O ZINC000852210424 583540814 /nfs/dbraw/zinc/54/08/14/583540814.db2.gz DVZFBGUHHRWBPG-LLVKDONJSA-N 2 2 269.345 -0.602 20 0 CBADLP C[N@H+](C[C@@H](O)C[NH+]1CC[C@@H](N2CCOC2=O)C1)C1CC1 ZINC000852439124 583546476 /nfs/dbraw/zinc/54/64/76/583546476.db2.gz BMJAQTXBHGDLJS-CHWSQXEVSA-N 2 2 283.372 -0.032 20 0 CBADLP C[N@@H+](C[C@@H](O)C[NH+]1CC[C@@H](N2CCOC2=O)C1)C1CC1 ZINC000852439124 583546478 /nfs/dbraw/zinc/54/64/78/583546478.db2.gz BMJAQTXBHGDLJS-CHWSQXEVSA-N 2 2 283.372 -0.032 20 0 CBADLP C[NH+](C[C@@H](O)C[N@@H+]1CC[C@@H](N2CCOC2=O)C1)C1CC1 ZINC000852439124 583546479 /nfs/dbraw/zinc/54/64/79/583546479.db2.gz BMJAQTXBHGDLJS-CHWSQXEVSA-N 2 2 283.372 -0.032 20 0 CBADLP C[NH+](C[C@@H](O)C[N@H+]1CC[C@@H](N2CCOC2=O)C1)C1CC1 ZINC000852439124 583546481 /nfs/dbraw/zinc/54/64/81/583546481.db2.gz BMJAQTXBHGDLJS-CHWSQXEVSA-N 2 2 283.372 -0.032 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](N2CCOC2=O)C1 ZINC000852443879 583547001 /nfs/dbraw/zinc/54/70/01/583547001.db2.gz QUELMLDAKFUQHF-NWDGAFQWSA-N 2 2 271.361 -0.175 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](N2CCOC2=O)C1 ZINC000852443879 583547002 /nfs/dbraw/zinc/54/70/02/583547002.db2.gz QUELMLDAKFUQHF-NWDGAFQWSA-N 2 2 271.361 -0.175 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852443879 583547003 /nfs/dbraw/zinc/54/70/03/583547003.db2.gz QUELMLDAKFUQHF-NWDGAFQWSA-N 2 2 271.361 -0.175 20 0 CBADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852443879 583547004 /nfs/dbraw/zinc/54/70/04/583547004.db2.gz QUELMLDAKFUQHF-NWDGAFQWSA-N 2 2 271.361 -0.175 20 0 CBADLP COC(=O)N(C)CC[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000852570432 583548924 /nfs/dbraw/zinc/54/89/24/583548924.db2.gz CNUUAUGZESNXMU-UHFFFAOYSA-N 2 2 286.376 -0.610 20 0 CBADLP COC(=O)N(C)CC[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000852570432 583548925 /nfs/dbraw/zinc/54/89/25/583548925.db2.gz CNUUAUGZESNXMU-UHFFFAOYSA-N 2 2 286.376 -0.610 20 0 CBADLP C[NH+](C)CCC[C@H]1C[N@H+](CCS(N)(=O)=O)CCO1 ZINC000852760150 583552243 /nfs/dbraw/zinc/55/22/43/583552243.db2.gz BGUNLUFQCUUDMV-NSHDSACASA-N 2 2 279.406 -0.683 20 0 CBADLP C[NH+](C)CCC[C@H]1C[N@@H+](CCS(N)(=O)=O)CCO1 ZINC000852760150 583552244 /nfs/dbraw/zinc/55/22/44/583552244.db2.gz BGUNLUFQCUUDMV-NSHDSACASA-N 2 2 279.406 -0.683 20 0 CBADLP C[N@@H+]1CCN(C(=O)/C=C/c2ccc(C(N)=O)o2)[C@@H](C[NH3+])C1 ZINC000852798070 583553284 /nfs/dbraw/zinc/55/32/84/583553284.db2.gz FJIUAIMAZFIXLQ-GFAPAMAISA-N 2 2 292.339 -0.507 20 0 CBADLP C[N@H+]1CCN(C(=O)/C=C/c2ccc(C(N)=O)o2)[C@@H](C[NH3+])C1 ZINC000852798070 583553285 /nfs/dbraw/zinc/55/32/85/583553285.db2.gz FJIUAIMAZFIXLQ-GFAPAMAISA-N 2 2 292.339 -0.507 20 0 CBADLP COC(=O)N1CCC(C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])CC1 ZINC000852800057 583553596 /nfs/dbraw/zinc/55/35/96/583553596.db2.gz YSLSNZZAUPEXRK-GFCCVEGCSA-N 2 2 298.387 -0.434 20 0 CBADLP COC(=O)N1CCC(C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])CC1 ZINC000852800057 583553597 /nfs/dbraw/zinc/55/35/97/583553597.db2.gz YSLSNZZAUPEXRK-GFCCVEGCSA-N 2 2 298.387 -0.434 20 0 CBADLP [NH3+]C[C@@H]1CC(C(=O)NCCc2cn3c([nH+]2)CCCC3)=NO1 ZINC000852859868 583562099 /nfs/dbraw/zinc/56/20/99/583562099.db2.gz CGDGHSSBPXHSRZ-NSHDSACASA-N 2 2 291.355 -0.018 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852860982 583562502 /nfs/dbraw/zinc/56/25/02/583562502.db2.gz XGJAHTQNUXIBHX-RKDXNWHRSA-N 2 2 251.290 -0.509 20 0 CBADLP C[C@@H](CNC(=O)C1=NO[C@@H](C[NH3+])C1)Cn1cc[nH+]c1 ZINC000852861112 583562826 /nfs/dbraw/zinc/56/28/26/583562826.db2.gz ORYAVANHUVDFBW-VHSXEESVSA-N 2 2 265.317 -0.261 20 0 CBADLP C[C@H](CNC(=O)C1=NO[C@H](C[NH3+])C1)Cn1cc[nH+]c1 ZINC000852861113 583562842 /nfs/dbraw/zinc/56/28/42/583562842.db2.gz ORYAVANHUVDFBW-ZJUUUORDSA-N 2 2 265.317 -0.261 20 0 CBADLP [NH3+]C[C@@H]1CC(C(=O)NCCCCn2cc[nH+]c2)=NO1 ZINC000852861392 583562868 /nfs/dbraw/zinc/56/28/68/583562868.db2.gz UDVJDOIHGVEDDJ-JTQLQIEISA-N 2 2 265.317 -0.117 20 0 CBADLP CN(Cc1[nH+]ccn1C)C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852883570 583567741 /nfs/dbraw/zinc/56/77/41/583567741.db2.gz ZRGQYWXZRBXWAI-MRVPVSSYSA-N 2 2 251.290 -0.518 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)CO[C@@H]2CCC[NH2+]C2)[C@H](C)CO1 ZINC000852902558 583572614 /nfs/dbraw/zinc/57/26/14/583572614.db2.gz IBQZNZUSSIZCMZ-MGPQQGTHSA-N 2 2 299.415 -0.020 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)CO[C@@H]2CCC[NH2+]C2)[C@H](C)CO1 ZINC000852902558 583572615 /nfs/dbraw/zinc/57/26/15/583572615.db2.gz IBQZNZUSSIZCMZ-MGPQQGTHSA-N 2 2 299.415 -0.020 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N[C@H](CO)C[NH+]1CCCCC1 ZINC000854413838 583602365 /nfs/dbraw/zinc/60/23/65/583602365.db2.gz TYWFGVPQYOQZOZ-NSHDSACASA-N 2 2 266.345 -0.085 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000854742245 583617947 /nfs/dbraw/zinc/61/79/47/583617947.db2.gz BVCZUTXMPCRYBB-NSHDSACASA-N 2 2 266.345 -0.085 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000854742245 583617949 /nfs/dbraw/zinc/61/79/49/583617949.db2.gz BVCZUTXMPCRYBB-NSHDSACASA-N 2 2 266.345 -0.085 20 0 CBADLP C[C@@H]1C[N@H+](CCO)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000854896864 583627490 /nfs/dbraw/zinc/62/74/90/583627490.db2.gz QESANMBGJIYMBV-SNVBAGLBSA-N 2 2 252.318 -0.523 20 0 CBADLP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000854896864 583627493 /nfs/dbraw/zinc/62/74/93/583627493.db2.gz QESANMBGJIYMBV-SNVBAGLBSA-N 2 2 252.318 -0.523 20 0 CBADLP C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC000854955210 583629795 /nfs/dbraw/zinc/62/97/95/583629795.db2.gz QRIZIFDFXGRDIO-QWRGUYRKSA-N 2 2 266.345 -0.134 20 0 CBADLP C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC000854955210 583629797 /nfs/dbraw/zinc/62/97/97/583629797.db2.gz QRIZIFDFXGRDIO-QWRGUYRKSA-N 2 2 266.345 -0.134 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1CCCN1C=O ZINC000855417524 583638959 /nfs/dbraw/zinc/63/89/59/583638959.db2.gz ILZXTKFCZIVOTG-ZDUSSCGKSA-N 2 2 284.404 -0.393 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1CCCN1C=O ZINC000855417524 583638961 /nfs/dbraw/zinc/63/89/61/583638961.db2.gz ILZXTKFCZIVOTG-ZDUSSCGKSA-N 2 2 284.404 -0.393 20 0 CBADLP C[C@H]1OC(=O)N[C@H]1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000855415558 583639055 /nfs/dbraw/zinc/63/90/55/583639055.db2.gz ZIGDKMPIHAZBCI-GHMZBOCLSA-N 2 2 286.376 -0.517 20 0 CBADLP C[C@H]1OC(=O)N[C@H]1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000855415558 583639057 /nfs/dbraw/zinc/63/90/57/583639057.db2.gz ZIGDKMPIHAZBCI-GHMZBOCLSA-N 2 2 286.376 -0.517 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc[n+]([O-])c1 ZINC000855417300 583639080 /nfs/dbraw/zinc/63/90/80/583639080.db2.gz XJTYAHMKWCLVSQ-UHFFFAOYSA-N 2 2 280.372 -0.067 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc[n+]([O-])c1 ZINC000855417300 583639082 /nfs/dbraw/zinc/63/90/82/583639082.db2.gz XJTYAHMKWCLVSQ-UHFFFAOYSA-N 2 2 280.372 -0.067 20 0 CBADLP C[C@H]([NH3+])CCNC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000857112056 583665554 /nfs/dbraw/zinc/66/55/54/583665554.db2.gz DIXBQLBRKOAPDY-RYUDHWBXSA-N 2 2 288.392 -0.942 20 0 CBADLP O=C(N[C@H]1CCn2c[nH+]cc2C1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000857948931 583685355 /nfs/dbraw/zinc/68/53/55/583685355.db2.gz UCTCLMRHEGZFPX-JSGCOSHPSA-N 2 2 289.383 -0.296 20 0 CBADLP O=C(N[C@H]1CCn2c[nH+]cc2C1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000857948931 583685357 /nfs/dbraw/zinc/68/53/57/583685357.db2.gz UCTCLMRHEGZFPX-JSGCOSHPSA-N 2 2 289.383 -0.296 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCn3c[nH+]cc32)C1 ZINC000857982447 583685878 /nfs/dbraw/zinc/68/58/78/583685878.db2.gz IRLWOIYBDOZZQZ-MWLCHTKSSA-N 2 2 250.302 -0.225 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCn3c[nH+]cc32)C1 ZINC000857982447 583685880 /nfs/dbraw/zinc/68/58/80/583685880.db2.gz IRLWOIYBDOZZQZ-MWLCHTKSSA-N 2 2 250.302 -0.225 20 0 CBADLP Cn1ncc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)n1 ZINC000858225075 583688342 /nfs/dbraw/zinc/68/83/42/583688342.db2.gz BVRBBGFLVVXQOF-NSHDSACASA-N 2 2 266.349 -0.756 20 0 CBADLP Cn1ncc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)n1 ZINC000858225075 583688344 /nfs/dbraw/zinc/68/83/44/583688344.db2.gz BVRBBGFLVVXQOF-NSHDSACASA-N 2 2 266.349 -0.756 20 0 CBADLP Nc1nc(N)[nH+]c(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)n1 ZINC000858374635 583693414 /nfs/dbraw/zinc/69/34/14/583693414.db2.gz RFFWTAAPDJWTTI-HTQZYQBOSA-N 2 2 265.321 -0.689 20 0 CBADLP Nc1nc(N)[nH+]c(NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)n1 ZINC000858374635 583693415 /nfs/dbraw/zinc/69/34/15/583693415.db2.gz RFFWTAAPDJWTTI-HTQZYQBOSA-N 2 2 265.321 -0.689 20 0 CBADLP O[C@H](CN1CC[NH+](Cc2cn[nH]c2)CC1)C[NH+]1CCCC1 ZINC000859330938 583714758 /nfs/dbraw/zinc/71/47/58/583714758.db2.gz NLZRVEDHFBDAJX-HNNXBMFYSA-N 2 2 293.415 -0.016 20 0 CBADLP COC(=O)[C@@]1(OC)CC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000859560768 583724850 /nfs/dbraw/zinc/72/48/50/583724850.db2.gz JHQVKWTYPHGWND-TZMCWYRMSA-N 2 2 286.372 -0.293 20 0 CBADLP COC(=O)[C@@]1(OC)CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000859560768 583724852 /nfs/dbraw/zinc/72/48/52/583724852.db2.gz JHQVKWTYPHGWND-TZMCWYRMSA-N 2 2 286.372 -0.293 20 0 CBADLP C=CC(=O)N(C)CC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000859883715 583731834 /nfs/dbraw/zinc/73/18/34/583731834.db2.gz ITELYSTWTAVATG-UHFFFAOYSA-N 2 2 296.415 -0.227 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000861682717 583777463 /nfs/dbraw/zinc/77/74/63/583777463.db2.gz YXHZUJGNLXWUAE-RYUDHWBXSA-N 2 2 270.377 -0.303 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000861682717 583777465 /nfs/dbraw/zinc/77/74/65/583777465.db2.gz YXHZUJGNLXWUAE-RYUDHWBXSA-N 2 2 270.377 -0.303 20 0 CBADLP C[C@H]([NH3+])CN(C)C(=O)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000861756153 583784555 /nfs/dbraw/zinc/78/45/55/583784555.db2.gz UCUHEHMBYQNPGC-JTQLQIEISA-N 2 2 293.371 -0.431 20 0 CBADLP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCCCNc1cccc[nH+]1 ZINC000861761745 583785022 /nfs/dbraw/zinc/78/50/22/583785022.db2.gz ADHIZDLMARPDRT-LLVKDONJSA-N 2 2 293.371 -0.195 20 0 CBADLP COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)Cn1c[nH+]cc1C ZINC000863907123 583860846 /nfs/dbraw/zinc/86/08/46/583860846.db2.gz BFAYIKRFTDVTBZ-NSHDSACASA-N 2 2 291.311 -0.254 20 0 CBADLP C[N@@H+]1CCN(C(=O)[C@@H]2CC[NH+]2C(C)(C)C)C[C@@H]1CO ZINC000864077210 583871297 /nfs/dbraw/zinc/87/12/97/583871297.db2.gz CQXIHTPOSPGJDE-NEPJUHHUSA-N 2 2 269.389 -0.006 20 0 CBADLP C[N@H+]1CCN(C(=O)[C@@H]2CC[NH+]2C(C)(C)C)C[C@@H]1CO ZINC000864077210 583871299 /nfs/dbraw/zinc/87/12/99/583871299.db2.gz CQXIHTPOSPGJDE-NEPJUHHUSA-N 2 2 269.389 -0.006 20 0 CBADLP C[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)C[C@@H]1CO ZINC000864077210 583871302 /nfs/dbraw/zinc/87/13/02/583871302.db2.gz CQXIHTPOSPGJDE-NEPJUHHUSA-N 2 2 269.389 -0.006 20 0 CBADLP C[NH+]1CCN(C(=O)[C@@H]2CC[N@H+]2C(C)(C)C)C[C@@H]1CO ZINC000864077210 583871303 /nfs/dbraw/zinc/87/13/03/583871303.db2.gz CQXIHTPOSPGJDE-NEPJUHHUSA-N 2 2 269.389 -0.006 20 0 CBADLP C[NH+]1CCN(C(=O)/C=C\C[NH+]2CCOCC2)CC1 ZINC000864381565 583881015 /nfs/dbraw/zinc/88/10/15/583881015.db2.gz CQWAROCNMLSCJR-IHWYPQMZSA-N 2 2 253.346 -0.351 20 0 CBADLP O=C(/C=C\C[NH+]1CCOCC1)NCCC[NH+]1CCOCC1 ZINC000864413823 583881374 /nfs/dbraw/zinc/88/13/74/583881374.db2.gz DLTNNMZBFUYCAJ-IWQZZHSRSA-N 2 2 297.399 -0.287 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCn1cc([C@]2(O)CCOC2)nn1 ZINC000864646271 583885345 /nfs/dbraw/zinc/88/53/45/583885345.db2.gz XZUALMIHYWHOKP-AWEZNQCLSA-N 2 2 297.403 -0.231 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCn1cc([C@]2(O)CCOC2)nn1 ZINC000864646271 583885347 /nfs/dbraw/zinc/88/53/47/583885347.db2.gz XZUALMIHYWHOKP-AWEZNQCLSA-N 2 2 297.403 -0.231 20 0 CBADLP C[NH+]1CCN(CCNC(=O)/C=C/C[NH+]2CCOCC2)CC1 ZINC000864658469 583886310 /nfs/dbraw/zinc/88/63/10/583886310.db2.gz FQEMNHZOGARPRP-NSCUHMNNSA-N 2 2 296.415 -0.762 20 0 CBADLP COCC[N@H+](C)CCCNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000864864540 583890974 /nfs/dbraw/zinc/89/09/74/583890974.db2.gz BGLKTLFJDRHIHY-HWKANZROSA-N 2 2 299.415 -0.041 20 0 CBADLP COCC[N@@H+](C)CCCNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000864864540 583890976 /nfs/dbraw/zinc/89/09/76/583890976.db2.gz BGLKTLFJDRHIHY-HWKANZROSA-N 2 2 299.415 -0.041 20 0 CBADLP C[N@@H+]1CC[C@H](CNC(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000864960398 583893327 /nfs/dbraw/zinc/89/33/27/583893327.db2.gz LBDPIPRXUVFALO-YWVDXFKGSA-N 2 2 267.373 -0.057 20 0 CBADLP C[N@H+]1CC[C@H](CNC(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000864960398 583893329 /nfs/dbraw/zinc/89/33/29/583893329.db2.gz LBDPIPRXUVFALO-YWVDXFKGSA-N 2 2 267.373 -0.057 20 0 CBADLP C[C@H](O)C[NH+]1CCN(C(=O)/C=C/C[NH+]2CCOCC2)CC1 ZINC000865190508 583899934 /nfs/dbraw/zinc/89/99/34/583899934.db2.gz VBJMXPHAQGFEHM-HSWBROFVSA-N 2 2 297.399 -0.600 20 0 CBADLP C[C@@H](O)C[NH+]1CCN(C(=O)/C=C/C[NH+]2CCOCC2)CC1 ZINC000865190506 583900014 /nfs/dbraw/zinc/90/00/14/583900014.db2.gz VBJMXPHAQGFEHM-BAABZTOOSA-N 2 2 297.399 -0.600 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@@]12COCCN1C(=O)COC2 ZINC000865798260 583909683 /nfs/dbraw/zinc/90/96/83/583909683.db2.gz RJXIAXGXNMCDHG-DYEKYZERSA-N 2 2 283.372 -0.846 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@@]12COCCN1C(=O)COC2 ZINC000865798260 583909684 /nfs/dbraw/zinc/90/96/84/583909684.db2.gz RJXIAXGXNMCDHG-DYEKYZERSA-N 2 2 283.372 -0.846 20 0 CBADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC(C)(C)CS(N)(=O)=O ZINC000865813396 583910249 /nfs/dbraw/zinc/91/02/49/583910249.db2.gz RCXIEDXWUQSGSW-NXEZZACHSA-N 2 2 263.407 -0.159 20 0 CBADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC(C)(C)CS(N)(=O)=O ZINC000865813396 583910250 /nfs/dbraw/zinc/91/02/50/583910250.db2.gz RCXIEDXWUQSGSW-NXEZZACHSA-N 2 2 263.407 -0.159 20 0 CBADLP CN(CC[NH+](C)C)C(=O)/C=C\C[NH+]1CCOCC1 ZINC000866311980 583920028 /nfs/dbraw/zinc/92/00/28/583920028.db2.gz XRICNPSFXUBLEU-PLNGDYQASA-N 2 2 255.362 -0.105 20 0 CBADLP NC(=O)c1ccc(CC[N@@H+]2CCO[C@H](C[NH3+])C2)cc1 ZINC000866662172 583926207 /nfs/dbraw/zinc/92/62/07/583926207.db2.gz YJBLYKGSHHIKHZ-CYBMUJFWSA-N 2 2 263.341 -0.013 20 0 CBADLP NC(=O)c1ccc(CC[N@H+]2CCO[C@H](C[NH3+])C2)cc1 ZINC000866662172 583926208 /nfs/dbraw/zinc/92/62/08/583926208.db2.gz YJBLYKGSHHIKHZ-CYBMUJFWSA-N 2 2 263.341 -0.013 20 0 CBADLP COC(=O)[C@@H](C)[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866713884 583928320 /nfs/dbraw/zinc/92/83/20/583928320.db2.gz AEKCSXLMUCKCPM-YTWAJWBKSA-N 2 2 283.328 -0.585 20 0 CBADLP COC(=O)[C@@H](C)[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866713884 583928321 /nfs/dbraw/zinc/92/83/21/583928321.db2.gz AEKCSXLMUCKCPM-YTWAJWBKSA-N 2 2 283.328 -0.585 20 0 CBADLP COC(=O)CN(C)C(=O)CC[N@@H+]1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866723677 583928911 /nfs/dbraw/zinc/92/89/11/583928911.db2.gz IVMFJNJVYGOEPT-VXGBXAGGSA-N 2 2 283.372 -0.166 20 0 CBADLP COC(=O)CN(C)C(=O)CC[N@H+]1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866723677 583928914 /nfs/dbraw/zinc/92/89/14/583928914.db2.gz IVMFJNJVYGOEPT-VXGBXAGGSA-N 2 2 283.372 -0.166 20 0 CBADLP O=C(/C=C/C[NH+]1CCOCC1)NCC[NH+]1CCC1 ZINC000866906520 583936378 /nfs/dbraw/zinc/93/63/78/583936378.db2.gz KWQKGRPNQKBGKR-HNQUOIGGSA-N 2 2 253.346 -0.303 20 0 CBADLP CC(C)(CO)[NH+]1CCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)CC1 ZINC000867016044 583938428 /nfs/dbraw/zinc/93/84/28/583938428.db2.gz NDAQCEJEBHQWJE-NSHDSACASA-N 2 2 282.344 -0.642 20 0 CBADLP C[C@@H]1[C@H](C)N(C(=O)[C@@H](O)c2c[nH+]c[nH]2)CC[N@H+]1C ZINC000867184869 583943124 /nfs/dbraw/zinc/94/31/24/583943124.db2.gz BUPAGJATNZSKDQ-YWVKMMECSA-N 2 2 252.318 -0.006 20 0 CBADLP C[C@@H]1[C@H](C)N(C(=O)[C@@H](O)c2c[nH+]c[nH]2)CC[N@@H+]1C ZINC000867184869 583943125 /nfs/dbraw/zinc/94/31/25/583943125.db2.gz BUPAGJATNZSKDQ-YWVKMMECSA-N 2 2 252.318 -0.006 20 0 CBADLP C[NH+](C)CCOCCNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000867242720 583944963 /nfs/dbraw/zinc/94/49/63/583944963.db2.gz DQPXFSPEONBDNO-ARJAWSKDSA-N 2 2 285.388 -0.431 20 0 CBADLP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000867639815 583958981 /nfs/dbraw/zinc/95/89/81/583958981.db2.gz FLJOCKXSAFDOQY-CMPLNLGQSA-N 2 2 296.371 -0.253 20 0 CBADLP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000867639815 583958983 /nfs/dbraw/zinc/95/89/83/583958983.db2.gz FLJOCKXSAFDOQY-CMPLNLGQSA-N 2 2 296.371 -0.253 20 0 CBADLP C[NH+]1CCN(C(=O)C(=O)N2CC[N@H+](C)C(C)(C)CC2)CC1 ZINC000867743899 583962081 /nfs/dbraw/zinc/96/20/81/583962081.db2.gz JTZKRHQMBMKNQM-UHFFFAOYSA-N 2 2 296.415 -0.297 20 0 CBADLP C[NH+]1CCN(C(=O)C(=O)N2CC[N@@H+](C)C(C)(C)CC2)CC1 ZINC000867743899 583962083 /nfs/dbraw/zinc/96/20/83/583962083.db2.gz JTZKRHQMBMKNQM-UHFFFAOYSA-N 2 2 296.415 -0.297 20 0 CBADLP C[N@H+]1C[C@H]2CN(C(=O)/C=C/C[NH+]3CCOCC3)C[C@H]2C1 ZINC000867873672 583965595 /nfs/dbraw/zinc/96/55/95/583965595.db2.gz MQTTUKBRMZRBAF-DBQRDOGGSA-N 2 2 279.384 -0.105 20 0 CBADLP C[N@@H+]1C[C@H]2CN(C(=O)/C=C/C[NH+]3CCOCC3)C[C@H]2C1 ZINC000867873672 583965597 /nfs/dbraw/zinc/96/55/97/583965597.db2.gz MQTTUKBRMZRBAF-DBQRDOGGSA-N 2 2 279.384 -0.105 20 0 CBADLP C[N@@H+]1CCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)CC1(C)C ZINC000868029785 583969387 /nfs/dbraw/zinc/96/93/87/583969387.db2.gz PRAMJADYXQWBFE-JTQLQIEISA-N 2 2 252.318 -0.004 20 0 CBADLP C[N@H+]1CCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)CC1(C)C ZINC000868029785 583969388 /nfs/dbraw/zinc/96/93/88/583969388.db2.gz PRAMJADYXQWBFE-JTQLQIEISA-N 2 2 252.318 -0.004 20 0 CBADLP C[N@@H+]1CCn2nc(NC(=O)N[C@H]3CC[NH2+]C3)cc2C1 ZINC000868205493 583972637 /nfs/dbraw/zinc/97/26/37/583972637.db2.gz NHDLNSAKUZSGGR-VIFPVBQESA-N 2 2 264.333 -0.188 20 0 CBADLP C[N@H+]1CCn2nc(NC(=O)N[C@H]3CC[NH2+]C3)cc2C1 ZINC000868205493 583972639 /nfs/dbraw/zinc/97/26/39/583972639.db2.gz NHDLNSAKUZSGGR-VIFPVBQESA-N 2 2 264.333 -0.188 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC000868417033 583978439 /nfs/dbraw/zinc/97/84/39/583978439.db2.gz ACUSMZVKBBKXKE-CHWSQXEVSA-N 2 2 294.399 -0.497 20 0 CBADLP C[C@H]1C[N@H+](CCO)CCN1C(=O)/C=C\C[NH+]1CCOCC1 ZINC000868808839 583987013 /nfs/dbraw/zinc/98/70/13/583987013.db2.gz GARSXLCWTMFTAG-SFAKSCPVSA-N 2 2 297.399 -0.600 20 0 CBADLP C[C@H]1C[N@@H+](CCO)CCN1C(=O)/C=C\C[NH+]1CCOCC1 ZINC000868808839 583987015 /nfs/dbraw/zinc/98/70/15/583987015.db2.gz GARSXLCWTMFTAG-SFAKSCPVSA-N 2 2 297.399 -0.600 20 0 CBADLP O=C([C@H](O)c1c[nH+]c[nH]1)N1CC[NH+](CCCF)CC1 ZINC000869113154 583993174 /nfs/dbraw/zinc/99/31/74/583993174.db2.gz JVQJIPQFGKTKJB-LLVKDONJSA-N 2 2 270.308 -0.053 20 0 CBADLP CCN(C(=O)[C@H](O)c1c[nH+]c[nH]1)[C@H]1CC[N@H+](C)C1 ZINC000869240151 583996041 /nfs/dbraw/zinc/99/60/41/583996041.db2.gz XDKIDKGCIOCEQQ-GXSJLCMTSA-N 2 2 252.318 -0.004 20 0 CBADLP CCN(C(=O)[C@H](O)c1c[nH+]c[nH]1)[C@H]1CC[N@@H+](C)C1 ZINC000869240151 583996043 /nfs/dbraw/zinc/99/60/43/583996043.db2.gz XDKIDKGCIOCEQQ-GXSJLCMTSA-N 2 2 252.318 -0.004 20 0 CBADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC000870068297 584008873 /nfs/dbraw/zinc/00/88/73/584008873.db2.gz KPXNXJSRAMQDTQ-KBPBESRZSA-N 2 2 297.399 -0.360 20 0 CBADLP C[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC000870068297 584008875 /nfs/dbraw/zinc/00/88/75/584008875.db2.gz KPXNXJSRAMQDTQ-KBPBESRZSA-N 2 2 297.399 -0.360 20 0 CBADLP [NH3+][C@H]1CC[C@@H](C(=O)NCC[NH+]2CCOCC2)CC1 ZINC000870855060 584019791 /nfs/dbraw/zinc/01/97/91/584019791.db2.gz WEALUQAXOLKREF-TXEJJXNPSA-N 2 2 255.362 -0.048 20 0 CBADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC000870896032 584020981 /nfs/dbraw/zinc/02/09/81/584020981.db2.gz NXUPZZJVFTVUCI-HAQNSBGRSA-N 2 2 296.415 -0.088 20 0 CBADLP [NH3+][C@H]1CC[C@@H](C(=O)N2CC[NH+](CCO)CC2)CC1 ZINC000870914116 584021288 /nfs/dbraw/zinc/02/12/88/584021288.db2.gz JLTJOTMIFQIKPH-TXEJJXNPSA-N 2 2 255.362 -0.360 20 0 CBADLP C[N@@H+]1CCN(C(=O)c2cccn(C3CC3)c2=O)[C@H](C[NH3+])C1 ZINC000870938270 584022094 /nfs/dbraw/zinc/02/20/94/584022094.db2.gz JODVUNJITXFYLM-GFCCVEGCSA-N 2 2 290.367 -0.102 20 0 CBADLP C[N@H+]1CCN(C(=O)c2cccn(C3CC3)c2=O)[C@H](C[NH3+])C1 ZINC000870938270 584022096 /nfs/dbraw/zinc/02/20/96/584022096.db2.gz JODVUNJITXFYLM-GFCCVEGCSA-N 2 2 290.367 -0.102 20 0 CBADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1C[C@H](O)CC(C)(C)C1 ZINC000870983546 584024235 /nfs/dbraw/zinc/02/42/35/584024235.db2.gz WBPXWCPCBVTQRH-MNOVXSKESA-N 2 2 257.378 -0.115 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC000870984213 584024456 /nfs/dbraw/zinc/02/44/56/584024456.db2.gz KNXJFWDDWMZPCE-GFCCVEGCSA-N 2 2 298.431 -0.053 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC000870984213 584024457 /nfs/dbraw/zinc/02/44/57/584024457.db2.gz KNXJFWDDWMZPCE-GFCCVEGCSA-N 2 2 298.431 -0.053 20 0 CBADLP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)CN2CC[NH2+]CC2=O)C1 ZINC000870994904 584024671 /nfs/dbraw/zinc/02/46/71/584024671.db2.gz XVQOSMPQTCMUAK-OAHLLOKOSA-N 2 2 296.415 -0.358 20 0 CBADLP C[C@]12C[NH2+]C[C@H]1CN(C(=O)NCC[NH+]1CCOCC1)C2 ZINC000871600425 584043290 /nfs/dbraw/zinc/04/32/90/584043290.db2.gz QFKVNANLLDDVJX-GXTWGEPZSA-N 2 2 282.388 -0.431 20 0 CBADLP COCCN(C)C(=[NH2+])NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000871605170 584043647 /nfs/dbraw/zinc/04/36/47/584043647.db2.gz CBQQETDLVBRIFW-TXEJJXNPSA-N 2 2 270.377 -0.048 20 0 CBADLP COCCN(C)C(=[NH2+])NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000871605170 584043650 /nfs/dbraw/zinc/04/36/50/584043650.db2.gz CBQQETDLVBRIFW-TXEJJXNPSA-N 2 2 270.377 -0.048 20 0 CBADLP [NH3+]CC[N@H+](CCO)C[C@@H]1CC2(CO1)CCOCC2 ZINC000872143299 584047858 /nfs/dbraw/zinc/04/78/58/584047858.db2.gz KUWBDULZGHMUEL-LBPRGKRZSA-N 2 2 258.362 -0.175 20 0 CBADLP [NH3+]CC[N@@H+](CCO)C[C@@H]1CC2(CO1)CCOCC2 ZINC000872143299 584047860 /nfs/dbraw/zinc/04/78/60/584047860.db2.gz KUWBDULZGHMUEL-LBPRGKRZSA-N 2 2 258.362 -0.175 20 0 CBADLP C[S@](=N)(=O)N1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000872146361 584048041 /nfs/dbraw/zinc/04/80/41/584048041.db2.gz MGKZRAWREDIPGM-NSPYISDASA-N 2 2 288.417 -0.283 20 0 CBADLP C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872153087 584048131 /nfs/dbraw/zinc/04/81/31/584048131.db2.gz ZMBSDNXJMIKYJE-ISTVAULSSA-N 2 2 280.372 -0.096 20 0 CBADLP C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872153087 584048133 /nfs/dbraw/zinc/04/81/33/584048133.db2.gz ZMBSDNXJMIKYJE-ISTVAULSSA-N 2 2 280.372 -0.096 20 0 CBADLP CCS(=O)(=O)NCC[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872153601 584048249 /nfs/dbraw/zinc/04/82/49/584048249.db2.gz MCNYFEXNTTWLIV-WDEREUQCSA-N 2 2 261.391 -0.533 20 0 CBADLP CCS(=O)(=O)NCC[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872153601 584048251 /nfs/dbraw/zinc/04/82/51/584048251.db2.gz MCNYFEXNTTWLIV-WDEREUQCSA-N 2 2 261.391 -0.533 20 0 CBADLP CC(C)([NH3+])C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872255771 584052360 /nfs/dbraw/zinc/05/23/60/584052360.db2.gz MUDUZZPKGBHNGV-AXFHLTTASA-N 3 2 268.361 -0.409 20 0 CBADLP CC(C)([NH3+])C[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872255771 584052362 /nfs/dbraw/zinc/05/23/62/584052362.db2.gz MUDUZZPKGBHNGV-AXFHLTTASA-N 3 2 268.361 -0.409 20 0 CBADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@]12COC(=O)N1CCOC2 ZINC000873250888 584069019 /nfs/dbraw/zinc/06/90/19/584069019.db2.gz TVBQVCLLNQLMCJ-BZPMIXESSA-N 2 2 299.371 -0.436 20 0 CBADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000873235801 584069136 /nfs/dbraw/zinc/06/91/36/584069136.db2.gz RBXJTZOAJWMTDE-YNEHKIRRSA-N 2 2 299.415 -0.285 20 0 CBADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000873235801 584069138 /nfs/dbraw/zinc/06/91/38/584069138.db2.gz RBXJTZOAJWMTDE-YNEHKIRRSA-N 2 2 299.415 -0.285 20 0 CBADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@]12COC(=O)N1CCOC2 ZINC000873250890 584069189 /nfs/dbraw/zinc/06/91/89/584069189.db2.gz TVBQVCLLNQLMCJ-DYEKYZERSA-N 2 2 299.371 -0.436 20 0 CBADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@]12COCCN1C(=O)COC2 ZINC000873267223 584069847 /nfs/dbraw/zinc/06/98/47/584069847.db2.gz YDARECOULMNGQE-MBNYWOFBSA-N 2 2 283.372 -0.798 20 0 CBADLP C[C@H]([NH2+]C[C@]12COCCN1C(=O)COC2)[C@@H]1CCCC[NH2+]1 ZINC000873266849 584069926 /nfs/dbraw/zinc/06/99/26/584069926.db2.gz RINWLKQMUMQAJY-KCQAQPDRSA-N 2 2 297.399 -0.266 20 0 CBADLP COC(OC)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000874462105 584085262 /nfs/dbraw/zinc/08/52/62/584085262.db2.gz CYWLATBCPPQOMK-LLVKDONJSA-N 2 2 285.388 -0.110 20 0 CBADLP COC(OC)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000874462105 584085264 /nfs/dbraw/zinc/08/52/64/584085264.db2.gz CYWLATBCPPQOMK-LLVKDONJSA-N 2 2 285.388 -0.110 20 0 CBADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000874703119 584088908 /nfs/dbraw/zinc/08/89/08/584088908.db2.gz RDABGMUFTBEGGP-OLZOCXBDSA-N 2 2 285.388 -0.456 20 0 CBADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000874703119 584088911 /nfs/dbraw/zinc/08/89/11/584088911.db2.gz RDABGMUFTBEGGP-OLZOCXBDSA-N 2 2 285.388 -0.456 20 0 CBADLP CC[C@@H]1COCC[NH+]1CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000874703119 584088913 /nfs/dbraw/zinc/08/89/13/584088913.db2.gz RDABGMUFTBEGGP-OLZOCXBDSA-N 2 2 285.388 -0.456 20 0 CBADLP CC[C@@H]1COCC[NH+]1CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000874703119 584088914 /nfs/dbraw/zinc/08/89/14/584088914.db2.gz RDABGMUFTBEGGP-OLZOCXBDSA-N 2 2 285.388 -0.456 20 0 CBADLP O=C(/C=C\C[NH+]1CCOCC1)N[C@H]1CCC[NH2+]C1 ZINC000876508707 584130147 /nfs/dbraw/zinc/13/01/47/584130147.db2.gz VSPGEHIBQRAWMS-QQHVMHFCSA-N 2 2 253.346 -0.257 20 0 CBADLP O=C(/C=C/C[NH+]1CCOCC1)NCC[NH2+]C1CC1 ZINC000876522603 584131130 /nfs/dbraw/zinc/13/11/30/584131130.db2.gz WTEHJBJRLJSUIT-OWOJBTEDSA-N 2 2 253.346 -0.257 20 0 CBADLP O=C(/C=C\C[NH+]1CCOCC1)NCC[NH2+]C1CC1 ZINC000876522604 584131149 /nfs/dbraw/zinc/13/11/49/584131149.db2.gz WTEHJBJRLJSUIT-UPHRSURJSA-N 2 2 253.346 -0.257 20 0 CBADLP [NH3+]C[C@H]1CCCN1C(=O)/C=C\C[NH+]1CCOCC1 ZINC000876539184 584132115 /nfs/dbraw/zinc/13/21/15/584132115.db2.gz XXKXJOWTYGDFDA-DTRQGZQOSA-N 2 2 253.346 -0.176 20 0 CBADLP [NH3+]C[C@@H](NC(=O)/C=C/C[NH+]1CCOCC1)C1CC1 ZINC000876537407 584132167 /nfs/dbraw/zinc/13/21/67/584132167.db2.gz QGRBFULCOWNIRH-YYRQZUAOSA-N 2 2 253.346 -0.272 20 0 CBADLP C[N@@H+]1CCN(C(=O)/C=C/[C@@H]2CCC[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000876542756 584132793 /nfs/dbraw/zinc/13/27/93/584132793.db2.gz SREWDNNTXYHRNT-WWKJKZQJSA-N 3 2 266.389 -0.357 20 0 CBADLP C[N@H+]1CCN(C(=O)/C=C/[C@@H]2CCC[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000876542756 584132796 /nfs/dbraw/zinc/13/27/96/584132796.db2.gz SREWDNNTXYHRNT-WWKJKZQJSA-N 3 2 266.389 -0.357 20 0 CBADLP C[N@@H+]1CCN(C(=O)/C=C/[C@@H]2CCC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000876542755 584132841 /nfs/dbraw/zinc/13/28/41/584132841.db2.gz SREWDNNTXYHRNT-QITAHTHBSA-N 3 2 266.389 -0.357 20 0 CBADLP C[N@H+]1CCN(C(=O)/C=C/[C@@H]2CCC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000876542755 584132843 /nfs/dbraw/zinc/13/28/43/584132843.db2.gz SREWDNNTXYHRNT-QITAHTHBSA-N 3 2 266.389 -0.357 20 0 CBADLP C[C@@H](NC(=O)[C@@H](N)C[NH+](C)C)[C@@H](C)[NH+]1CCOCC1 ZINC000876755216 584142772 /nfs/dbraw/zinc/14/27/72/584142772.db2.gz HYPBVRHSKRSNCZ-UTUOFQBUSA-N 2 2 272.393 -0.899 20 0 CBADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876754573 584142838 /nfs/dbraw/zinc/14/28/38/584142838.db2.gz SWGCQRVZMAXZIH-GRYCIOLGSA-N 2 2 273.352 -0.229 20 0 CBADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876754573 584142839 /nfs/dbraw/zinc/14/28/39/584142839.db2.gz SWGCQRVZMAXZIH-GRYCIOLGSA-N 2 2 273.352 -0.229 20 0 CBADLP CC(C)OCC[NH+]1CCN(C(=O)[C@@H](N)C[NH+](C)C)CC1 ZINC000876768671 584143518 /nfs/dbraw/zinc/14/35/18/584143518.db2.gz KTBMQFGNBQIMHM-ZDUSSCGKSA-N 2 2 286.420 -0.556 20 0 CBADLP C[C@H](C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)N1CC[NH2+]CC1=O ZINC000876768334 584143734 /nfs/dbraw/zinc/14/37/34/584143734.db2.gz HUVYRCPJPNFYCA-AGIUHOORSA-N 2 2 296.415 -0.204 20 0 CBADLP CN1CC[N@H+](C)[C@H](CNC(=O)/C=C\[C@H]2CCC[NH2+]C2)C1 ZINC000876784084 584144483 /nfs/dbraw/zinc/14/44/83/584144483.db2.gz WKRISQISEIZFQB-HLMASZERSA-N 2 2 280.416 -0.096 20 0 CBADLP CN1CC[N@@H+](C)[C@H](CNC(=O)/C=C\[C@H]2CCC[NH2+]C2)C1 ZINC000876784084 584144485 /nfs/dbraw/zinc/14/44/85/584144485.db2.gz WKRISQISEIZFQB-HLMASZERSA-N 2 2 280.416 -0.096 20 0 CBADLP CCC[NH2+]CCNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000876789959 584144685 /nfs/dbraw/zinc/14/46/85/584144685.db2.gz NYUWOYXUNZAKLV-ARJAWSKDSA-N 2 2 255.362 -0.009 20 0 CBADLP O=C(/C=C/C[NH+]1CCOCC1)NCC1=CC[NH2+]CC1 ZINC000876808839 584147142 /nfs/dbraw/zinc/14/71/42/584147142.db2.gz BPDUMRJOSFXSGW-OWOJBTEDSA-N 2 2 265.357 -0.089 20 0 CBADLP NS(=O)(=O)c1cccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000876817670 584147469 /nfs/dbraw/zinc/14/74/69/584147469.db2.gz KNZGVVCPUUHBRW-RYUDHWBXSA-N 2 2 281.381 -0.015 20 0 CBADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000876811932 584147472 /nfs/dbraw/zinc/14/74/72/584147472.db2.gz ITQLRNNBDZQWKS-XCUNLHGCSA-N 2 2 267.373 -0.011 20 0 CBADLP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000876830406 584148128 /nfs/dbraw/zinc/14/81/28/584148128.db2.gz ITEFHJMNCQAGMW-XCUNLHGCSA-N 2 2 267.373 -0.011 20 0 CBADLP C[C@H](C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)N1CC[NH2+]CC1=O ZINC000876843731 584148644 /nfs/dbraw/zinc/14/86/44/584148644.db2.gz UBLGRVVXZZVABF-DOMZBBRYSA-N 2 2 294.399 -0.591 20 0 CBADLP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000876846532 584149205 /nfs/dbraw/zinc/14/92/05/584149205.db2.gz CUSUXEDNVGZLPC-LLGAQUFESA-N 2 2 267.373 -0.465 20 0 CBADLP O=C(/C=C\C[NH+]1CCOCC1)N1CC[NH2+]C[C@H]1C(F)F ZINC000876852255 584149729 /nfs/dbraw/zinc/14/97/29/584149729.db2.gz BQBFUWBVYCQSNL-BVBSBALXSA-N 2 2 289.326 -0.060 20 0 CBADLP O=C(CN1CC[NH2+]CC1)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000876862314 584150820 /nfs/dbraw/zinc/15/08/20/584150820.db2.gz MQRXNAXHXJMINL-JTQLQIEISA-N 2 2 276.331 -0.747 20 0 CBADLP O=C(/C=C\C[NH+]1CCOCC1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000876870710 584151508 /nfs/dbraw/zinc/15/15/08/584151508.db2.gz CSNKQDXFORWWBI-FEAJGASRSA-N 2 2 265.357 -0.305 20 0 CBADLP C[NH2+]CCCN(C)C(=O)/C=C/C[NH+]1CCOCC1 ZINC000876921289 584155981 /nfs/dbraw/zinc/15/59/81/584155981.db2.gz AJWDOEOIFILVDD-HWKANZROSA-N 2 2 255.362 -0.057 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000877035032 584162744 /nfs/dbraw/zinc/16/27/44/584162744.db2.gz SHLUNZWFGICJIF-DCAQKATOSA-N 2 2 255.362 -0.193 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000877035032 584162745 /nfs/dbraw/zinc/16/27/45/584162745.db2.gz SHLUNZWFGICJIF-DCAQKATOSA-N 2 2 255.362 -0.193 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)/C=C/[C@@H]1CCC[NH2+]C1 ZINC000877034188 584162798 /nfs/dbraw/zinc/16/27/98/584162798.db2.gz ATMBSKMXLCNWCR-WWKJKZQJSA-N 2 2 267.373 -0.011 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)/C=C/[C@@H]1CCC[NH2+]C1 ZINC000877034188 584162799 /nfs/dbraw/zinc/16/27/99/584162799.db2.gz ATMBSKMXLCNWCR-WWKJKZQJSA-N 2 2 267.373 -0.011 20 0 CBADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000877035072 584163024 /nfs/dbraw/zinc/16/30/24/584163024.db2.gz SQVTVAAHCXIFLB-DCAQKATOSA-N 2 2 259.325 -0.619 20 0 CBADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000877035072 584163026 /nfs/dbraw/zinc/16/30/26/584163026.db2.gz SQVTVAAHCXIFLB-DCAQKATOSA-N 2 2 259.325 -0.619 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N(C)C[C@@H](C)[NH3+] ZINC000877105889 584166277 /nfs/dbraw/zinc/16/62/77/584166277.db2.gz NJFCISOPATUFPV-SNVBAGLBSA-N 2 2 258.366 -0.752 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N(C)C[C@@H](C)[NH3+] ZINC000877105889 584166279 /nfs/dbraw/zinc/16/62/79/584166279.db2.gz NJFCISOPATUFPV-SNVBAGLBSA-N 2 2 258.366 -0.752 20 0 CBADLP CNC(=O)NC[C@@H]1CCCCN1C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000877200904 584170480 /nfs/dbraw/zinc/17/04/80/584170480.db2.gz UQPXMYZEKLHDGY-NWDGAFQWSA-N 2 2 299.419 -0.425 20 0 CBADLP C[C@H](C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21)N1CC[NH2+]CC1=O ZINC000877273686 584175194 /nfs/dbraw/zinc/17/51/94/584175194.db2.gz QAKDPYCJNCPXJF-GRYCIOLGSA-N 2 2 280.372 -0.840 20 0 CBADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000877432783 584180995 /nfs/dbraw/zinc/18/09/95/584180995.db2.gz HARTZEDFOJSNTQ-KGLIPLIRSA-N 2 2 299.415 -0.018 20 0 CBADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000877432783 584180997 /nfs/dbraw/zinc/18/09/97/584180997.db2.gz HARTZEDFOJSNTQ-KGLIPLIRSA-N 2 2 299.415 -0.018 20 0 CBADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000877433450 584181288 /nfs/dbraw/zinc/18/12/88/584181288.db2.gz SDVGDVAHXHXDBS-ZIAGYGMSSA-N 2 2 299.415 -0.018 20 0 CBADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000877433450 584181290 /nfs/dbraw/zinc/18/12/90/584181290.db2.gz SDVGDVAHXHXDBS-ZIAGYGMSSA-N 2 2 299.415 -0.018 20 0 CBADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000877434160 584181479 /nfs/dbraw/zinc/18/14/79/584181479.db2.gz NZKDVFZFTWNKAG-ZFWWWQNUSA-N 2 2 299.415 -0.031 20 0 CBADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000877434160 584181480 /nfs/dbraw/zinc/18/14/80/584181480.db2.gz NZKDVFZFTWNKAG-ZFWWWQNUSA-N 2 2 299.415 -0.031 20 0 CBADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@]1(COC)CC[NH2+]C1 ZINC000877434028 584181554 /nfs/dbraw/zinc/18/15/54/584181554.db2.gz MDNKODUZPHCBOH-UKRRQHHQSA-N 2 2 299.415 -0.161 20 0 CBADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@]1(COC)CC[NH2+]C1 ZINC000877434028 584181555 /nfs/dbraw/zinc/18/15/55/584181555.db2.gz MDNKODUZPHCBOH-UKRRQHHQSA-N 2 2 299.415 -0.161 20 0 CBADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000877434166 584181578 /nfs/dbraw/zinc/18/15/78/584181578.db2.gz OGQBXDWHSOIHDJ-WUHRBBMRSA-N 2 2 267.373 -0.321 20 0 CBADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000877434166 584181579 /nfs/dbraw/zinc/18/15/79/584181579.db2.gz OGQBXDWHSOIHDJ-WUHRBBMRSA-N 2 2 267.373 -0.321 20 0 CBADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000877434049 584181657 /nfs/dbraw/zinc/18/16/57/584181657.db2.gz MLMSRNKAIHRWGL-TZMCWYRMSA-N 2 2 285.388 -0.408 20 0 CBADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000877434049 584181658 /nfs/dbraw/zinc/18/16/58/584181658.db2.gz MLMSRNKAIHRWGL-TZMCWYRMSA-N 2 2 285.388 -0.408 20 0 CBADLP CN1CC[C@H]([N@H+](C)CC(=O)NC2CC[NH+](C)CC2)C1=O ZINC000878122233 584193686 /nfs/dbraw/zinc/19/36/86/584193686.db2.gz ZHPNBGDZPDFQTD-LBPRGKRZSA-N 2 2 282.388 -0.641 20 0 CBADLP CN1CC[C@H]([N@@H+](C)CC(=O)NC2CC[NH+](C)CC2)C1=O ZINC000878122233 584193688 /nfs/dbraw/zinc/19/36/88/584193688.db2.gz ZHPNBGDZPDFQTD-LBPRGKRZSA-N 2 2 282.388 -0.641 20 0 CBADLP C[NH+]1CCC(NC(=O)C[N@H+](CC(N)=O)C(C)(C)C)CC1 ZINC000878202392 584196626 /nfs/dbraw/zinc/19/66/26/584196626.db2.gz QREPIHWGWLBLRI-UHFFFAOYSA-N 2 2 284.404 -0.217 20 0 CBADLP C[NH+]1CCC(NC(=O)C[N@@H+](CC(N)=O)C(C)(C)C)CC1 ZINC000878202392 584196628 /nfs/dbraw/zinc/19/66/28/584196628.db2.gz QREPIHWGWLBLRI-UHFFFAOYSA-N 2 2 284.404 -0.217 20 0 CBADLP COC[C@H]1C[N@H+](CC(=O)NC2CC[NH+](C)CC2)C[C@@H](C)O1 ZINC000878482880 584205178 /nfs/dbraw/zinc/20/51/78/584205178.db2.gz AKMNQUJCHQQASB-TZMCWYRMSA-N 2 2 299.415 -0.068 20 0 CBADLP COC[C@H]1C[N@@H+](CC(=O)NC2CC[NH+](C)CC2)C[C@@H](C)O1 ZINC000878482880 584205180 /nfs/dbraw/zinc/20/51/80/584205180.db2.gz AKMNQUJCHQQASB-TZMCWYRMSA-N 2 2 299.415 -0.068 20 0 CBADLP Cn1nnnc1CC[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000878551352 584207880 /nfs/dbraw/zinc/20/78/80/584207880.db2.gz AWWIFQYBPJJYPF-CYBMUJFWSA-N 2 2 294.403 -0.061 20 0 CBADLP Cn1nnnc1CC[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000878551352 584207882 /nfs/dbraw/zinc/20/78/82/584207882.db2.gz AWWIFQYBPJJYPF-CYBMUJFWSA-N 2 2 294.403 -0.061 20 0 CBADLP Cn1nnnc1CC[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000878551353 584208034 /nfs/dbraw/zinc/20/80/34/584208034.db2.gz AWWIFQYBPJJYPF-ZDUSSCGKSA-N 2 2 294.403 -0.061 20 0 CBADLP Cn1nnnc1CC[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000878551353 584208037 /nfs/dbraw/zinc/20/80/37/584208037.db2.gz AWWIFQYBPJJYPF-ZDUSSCGKSA-N 2 2 294.403 -0.061 20 0 CBADLP CC[N@H+](CC(=O)NC1CC[NH+](C)CC1)[C@H]1CCNC1=O ZINC000878556170 584208274 /nfs/dbraw/zinc/20/82/74/584208274.db2.gz NNCABDSEKUVBAT-LBPRGKRZSA-N 2 2 282.388 -0.593 20 0 CBADLP CC[N@@H+](CC(=O)NC1CC[NH+](C)CC1)[C@H]1CCNC1=O ZINC000878556170 584208276 /nfs/dbraw/zinc/20/82/76/584208276.db2.gz NNCABDSEKUVBAT-LBPRGKRZSA-N 2 2 282.388 -0.593 20 0 CBADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC([C@@H](F)C(N)=O)CC1 ZINC000879043156 584224619 /nfs/dbraw/zinc/22/46/19/584224619.db2.gz FSZZMDVCWUQWTI-NWDGAFQWSA-N 2 2 275.368 -0.166 20 0 CBADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC([C@@H](F)C(N)=O)CC1 ZINC000879043156 584224621 /nfs/dbraw/zinc/22/46/21/584224621.db2.gz FSZZMDVCWUQWTI-NWDGAFQWSA-N 2 2 275.368 -0.166 20 0 CBADLP COC[C@@]1(C)C[N@H+](CC(=O)NC2CC[NH+](C)CC2)CCO1 ZINC000879067299 584226058 /nfs/dbraw/zinc/22/60/58/584226058.db2.gz VAYHRIIDRBJGQF-OAHLLOKOSA-N 2 2 299.415 -0.066 20 0 CBADLP COC[C@@]1(C)C[N@@H+](CC(=O)NC2CC[NH+](C)CC2)CCO1 ZINC000879067299 584226061 /nfs/dbraw/zinc/22/60/61/584226061.db2.gz VAYHRIIDRBJGQF-OAHLLOKOSA-N 2 2 299.415 -0.066 20 0 CBADLP CO[C@@H]1C[N@H+](C[C@H](O)C[NH+]2CCCC2)[C@](C)(CO)C1 ZINC000879259597 584230540 /nfs/dbraw/zinc/23/05/40/584230540.db2.gz OVTLCNJQPPQCCU-RDBSUJKOSA-N 2 2 272.389 -0.085 20 0 CBADLP CO[C@@H]1C[N@@H+](C[C@H](O)C[NH+]2CCCC2)[C@](C)(CO)C1 ZINC000879259597 584230542 /nfs/dbraw/zinc/23/05/42/584230542.db2.gz OVTLCNJQPPQCCU-RDBSUJKOSA-N 2 2 272.389 -0.085 20 0 CBADLP COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)[C@H](C)[NH+](C)C ZINC000879549231 584240413 /nfs/dbraw/zinc/24/04/13/584240413.db2.gz PMSMLVUWLFKPLG-UWVGGRQHSA-N 2 2 268.317 -0.509 20 0 CBADLP CCS(=O)(=O)NCC[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879572117 584241486 /nfs/dbraw/zinc/24/14/86/584241486.db2.gz FKQPJPAGSOYUMW-NWDGAFQWSA-N 2 2 275.418 -0.048 20 0 CBADLP CCS(=O)(=O)NCC[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879572117 584241488 /nfs/dbraw/zinc/24/14/88/584241488.db2.gz FKQPJPAGSOYUMW-NWDGAFQWSA-N 2 2 275.418 -0.048 20 0 CBADLP CCS(=O)(=O)NCC[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879572117 584241490 /nfs/dbraw/zinc/24/14/90/584241490.db2.gz FKQPJPAGSOYUMW-NWDGAFQWSA-N 2 2 275.418 -0.048 20 0 CBADLP CCS(=O)(=O)NCC[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879572117 584241492 /nfs/dbraw/zinc/24/14/92/584241492.db2.gz FKQPJPAGSOYUMW-NWDGAFQWSA-N 2 2 275.418 -0.048 20 0 CBADLP O=C1NCCO[C@@H]2CCC[N@H+](CCn3cc[nH+]c3)[C@H]12 ZINC000879722013 584247108 /nfs/dbraw/zinc/24/71/08/584247108.db2.gz QKERTFCWXLXCII-NEPJUHHUSA-N 2 2 264.329 -0.138 20 0 CBADLP O=C1NCCO[C@@H]2CCC[N@@H+](CCn3cc[nH+]c3)[C@H]12 ZINC000879722013 584247110 /nfs/dbraw/zinc/24/71/10/584247110.db2.gz QKERTFCWXLXCII-NEPJUHHUSA-N 2 2 264.329 -0.138 20 0 CBADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(c2nnnn2C)CC1 ZINC000879916167 584253599 /nfs/dbraw/zinc/25/35/99/584253599.db2.gz JGAUNVMUPCPUNA-GFCCVEGCSA-N 2 2 282.392 -0.298 20 0 CBADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(c2nnnn2C)CC1 ZINC000879916167 584253602 /nfs/dbraw/zinc/25/36/02/584253602.db2.gz JGAUNVMUPCPUNA-GFCCVEGCSA-N 2 2 282.392 -0.298 20 0 CBADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCN1C(=O)CNC1=O ZINC000880132722 584264007 /nfs/dbraw/zinc/26/40/07/584264007.db2.gz LVVMBRWRTBGZSA-WDEREUQCSA-N 2 2 266.345 -0.293 20 0 CBADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCN1C(=O)CNC1=O ZINC000880132722 584264008 /nfs/dbraw/zinc/26/40/08/584264008.db2.gz LVVMBRWRTBGZSA-WDEREUQCSA-N 2 2 266.345 -0.293 20 0 CBADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCN1C(=O)CNC1=O ZINC000880132722 584264009 /nfs/dbraw/zinc/26/40/09/584264009.db2.gz LVVMBRWRTBGZSA-WDEREUQCSA-N 2 2 266.345 -0.293 20 0 CBADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2CCN1C(=O)CNC1=O ZINC000880132722 584264010 /nfs/dbraw/zinc/26/40/10/584264010.db2.gz LVVMBRWRTBGZSA-WDEREUQCSA-N 2 2 266.345 -0.293 20 0 CBADLP COC[C@@H](O)C[NH+]1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000880250954 584267661 /nfs/dbraw/zinc/26/76/61/584267661.db2.gz XUFZIWJZNHKDDE-ZDUSSCGKSA-N 2 2 299.415 -0.201 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)[C@H]1CCOC[C@H]1OC ZINC000880436718 584274005 /nfs/dbraw/zinc/27/40/05/584274005.db2.gz AFBOPOSHDXVERF-MELADBBJSA-N 2 2 290.404 -0.339 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)[C@H]1CCOC[C@H]1OC ZINC000880436718 584274006 /nfs/dbraw/zinc/27/40/06/584274006.db2.gz AFBOPOSHDXVERF-MELADBBJSA-N 2 2 290.404 -0.339 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)[C@H]1CCOC[C@H]1OC ZINC000880436718 584274007 /nfs/dbraw/zinc/27/40/07/584274007.db2.gz AFBOPOSHDXVERF-MELADBBJSA-N 2 2 290.404 -0.339 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)[C@H]1CCOC[C@H]1OC ZINC000880436718 584274008 /nfs/dbraw/zinc/27/40/08/584274008.db2.gz AFBOPOSHDXVERF-MELADBBJSA-N 2 2 290.404 -0.339 20 0 CBADLP C[NH+]1CCC(NC(=O)C[N@@H+]2CC=C[C@@H]2CO)CC1 ZINC000880494598 584276469 /nfs/dbraw/zinc/27/64/69/584276469.db2.gz PKZCKHMBBQGTIL-GFCCVEGCSA-N 2 2 253.346 -0.571 20 0 CBADLP C[NH+]1CCC(NC(=O)C[N@H+]2CC=C[C@@H]2CO)CC1 ZINC000880494598 584276471 /nfs/dbraw/zinc/27/64/71/584276471.db2.gz PKZCKHMBBQGTIL-GFCCVEGCSA-N 2 2 253.346 -0.571 20 0 CBADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]2CCNC(=O)[C@@H]21 ZINC000880524169 584276832 /nfs/dbraw/zinc/27/68/32/584276832.db2.gz QGQDLJYVFOEWOP-MELADBBJSA-N 2 2 299.415 -0.474 20 0 CBADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]2CCNC(=O)[C@@H]21 ZINC000880524169 584276834 /nfs/dbraw/zinc/27/68/34/584276834.db2.gz QGQDLJYVFOEWOP-MELADBBJSA-N 2 2 299.415 -0.474 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]2CCNC(=O)[C@@H]21 ZINC000880524169 584276835 /nfs/dbraw/zinc/27/68/35/584276835.db2.gz QGQDLJYVFOEWOP-MELADBBJSA-N 2 2 299.415 -0.474 20 0 CBADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]2CCNC(=O)[C@@H]21 ZINC000880524169 584276836 /nfs/dbraw/zinc/27/68/36/584276836.db2.gz QGQDLJYVFOEWOP-MELADBBJSA-N 2 2 299.415 -0.474 20 0 CBADLP COC(=O)[C@@]1(O)CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000880559203 584278865 /nfs/dbraw/zinc/27/88/65/584278865.db2.gz BOBXYVRLOOWPDA-WCQYABFASA-N 2 2 272.345 -0.947 20 0 CBADLP COC(=O)[C@@]1(O)CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000880559203 584278866 /nfs/dbraw/zinc/27/88/66/584278866.db2.gz BOBXYVRLOOWPDA-WCQYABFASA-N 2 2 272.345 -0.947 20 0 CBADLP COC(=O)[C@@]1(O)CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000880565666 584281203 /nfs/dbraw/zinc/28/12/03/584281203.db2.gz FUPFQZMOEPNFSE-GFCCVEGCSA-N 2 2 253.302 -0.117 20 0 CBADLP COC(=O)[C@@]1(O)CC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000880565666 584281205 /nfs/dbraw/zinc/28/12/05/584281205.db2.gz FUPFQZMOEPNFSE-GFCCVEGCSA-N 2 2 253.302 -0.117 20 0 CBADLP CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000882485732 584318780 /nfs/dbraw/zinc/31/87/80/584318780.db2.gz LNGLAYJLNNEXEJ-OLZOCXBDSA-N 2 2 268.405 -0.167 20 0 CBADLP CC[N@H+]1CC[C@H]1CNC(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000882485732 584318782 /nfs/dbraw/zinc/31/87/82/584318782.db2.gz LNGLAYJLNNEXEJ-OLZOCXBDSA-N 2 2 268.405 -0.167 20 0 CBADLP CC[N@@H+]1CC[C@H]1CNC(=O)NCC[NH+]1CCOCC1 ZINC000883040981 584336634 /nfs/dbraw/zinc/33/66/34/584336634.db2.gz UUSQSQQMYGXMFZ-LBPRGKRZSA-N 2 2 270.377 -0.288 20 0 CBADLP CC[N@H+]1CC[C@H]1CNC(=O)NCC[NH+]1CCOCC1 ZINC000883040981 584336635 /nfs/dbraw/zinc/33/66/35/584336635.db2.gz UUSQSQQMYGXMFZ-LBPRGKRZSA-N 2 2 270.377 -0.288 20 0 CBADLP Cc1[nH+]cc(CNCC[N@H+](C)CCOCCO)n1C ZINC000883347939 584340258 /nfs/dbraw/zinc/34/02/58/584340258.db2.gz CZQVHFUOFAVRFI-UHFFFAOYSA-N 2 2 270.377 -0.241 20 0 CBADLP Cc1[nH+]cc(CNCC[N@@H+](C)CCOCCO)n1C ZINC000883347939 584340261 /nfs/dbraw/zinc/34/02/61/584340261.db2.gz CZQVHFUOFAVRFI-UHFFFAOYSA-N 2 2 270.377 -0.241 20 0 CBADLP CC[N@@H+]1CC[C@@H]1CNC(=O)NC[C@H]1CN(C)CC[NH+]1C ZINC000883385211 584340992 /nfs/dbraw/zinc/34/09/92/584340992.db2.gz HKVGQAHLHJASKJ-OLZOCXBDSA-N 2 2 283.420 -0.374 20 0 CBADLP CC[N@H+]1CC[C@@H]1CNC(=O)NC[C@H]1CN(C)CC[NH+]1C ZINC000883385211 584340993 /nfs/dbraw/zinc/34/09/93/584340993.db2.gz HKVGQAHLHJASKJ-OLZOCXBDSA-N 2 2 283.420 -0.374 20 0 CBADLP CC[NH+]1CC[C@@H]1CNC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000883385211 584340995 /nfs/dbraw/zinc/34/09/95/584340995.db2.gz HKVGQAHLHJASKJ-OLZOCXBDSA-N 2 2 283.420 -0.374 20 0 CBADLP CC[NH+]1CC[C@@H]1CNC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000883385211 584340996 /nfs/dbraw/zinc/34/09/96/584340996.db2.gz HKVGQAHLHJASKJ-OLZOCXBDSA-N 2 2 283.420 -0.374 20 0 CBADLP O=C1NCC[C@@H]2CCC[N@H+](C[C@H]3C[NH2+]CCO3)[C@H]12 ZINC000883462415 584343559 /nfs/dbraw/zinc/34/35/59/584343559.db2.gz QRAXSDZILHOEPK-TUAOUCFPSA-N 2 2 253.346 -0.425 20 0 CBADLP O=C1NCC[C@@H]2CCC[N@@H+](C[C@H]3C[NH2+]CCO3)[C@H]12 ZINC000883462415 584343561 /nfs/dbraw/zinc/34/35/61/584343561.db2.gz QRAXSDZILHOEPK-TUAOUCFPSA-N 2 2 253.346 -0.425 20 0 CBADLP CC[N@@H+]1CC[C@H]1CNC(=O)NC[C@@H]1COCC[NH+]1C ZINC000883742383 584347915 /nfs/dbraw/zinc/34/79/15/584347915.db2.gz DCLBLPYDYHLBPP-NWDGAFQWSA-N 2 2 270.377 -0.290 20 0 CBADLP CC[N@H+]1CC[C@H]1CNC(=O)NC[C@@H]1COCC[NH+]1C ZINC000883742383 584347917 /nfs/dbraw/zinc/34/79/17/584347917.db2.gz DCLBLPYDYHLBPP-NWDGAFQWSA-N 2 2 270.377 -0.290 20 0 CBADLP CC[NH+]1CC[C@H]1CNC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000883742383 584347918 /nfs/dbraw/zinc/34/79/18/584347918.db2.gz DCLBLPYDYHLBPP-NWDGAFQWSA-N 2 2 270.377 -0.290 20 0 CBADLP CC[NH+]1CC[C@H]1CNC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000883742383 584347920 /nfs/dbraw/zinc/34/79/20/584347920.db2.gz DCLBLPYDYHLBPP-NWDGAFQWSA-N 2 2 270.377 -0.290 20 0 CBADLP Cc1cn(C(C)(C)C(=O)NCC(=O)N2CC[NH2+]CC2)c[nH+]1 ZINC000884016059 584355642 /nfs/dbraw/zinc/35/56/42/584355642.db2.gz LTCTZBRXUSNBHS-UHFFFAOYSA-N 2 2 293.371 -0.525 20 0 CBADLP COCC[C@H]([NH3+])C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000884212577 584367617 /nfs/dbraw/zinc/36/76/17/584367617.db2.gz IZOHMDZEIZCADI-TUAOUCFPSA-N 2 2 273.377 -0.424 20 0 CBADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@H]2C[NH2+]CC2(C)C)CC1 ZINC000884228700 584368811 /nfs/dbraw/zinc/36/88/11/584368811.db2.gz WUQBVUVNJFFWAV-LLVKDONJSA-N 2 2 296.415 -0.360 20 0 CBADLP C[C@H](CNC(=O)[C@@H]1C[NH2+]CC1(C)C)[NH+]1CCN(C)CC1 ZINC000884234952 584368962 /nfs/dbraw/zinc/36/89/62/584368962.db2.gz IVCZNRPKTRULKK-OLZOCXBDSA-N 2 2 282.432 -0.016 20 0 CBADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000884360106 584376263 /nfs/dbraw/zinc/37/62/63/584376263.db2.gz VAAGADMXVXBWSL-WDEREUQCSA-N 2 2 284.404 -0.315 20 0 CBADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000884360106 584376264 /nfs/dbraw/zinc/37/62/64/584376264.db2.gz VAAGADMXVXBWSL-WDEREUQCSA-N 2 2 284.404 -0.315 20 0 CBADLP Cn1cc[nH+]c1CNC(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000884629427 584391886 /nfs/dbraw/zinc/39/18/86/584391886.db2.gz MMWCXOPCKZFYQJ-WDEREUQCSA-N 2 2 291.355 -0.611 20 0 CBADLP Cn1cc[nH+]c1CNC(=O)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000884629414 584391890 /nfs/dbraw/zinc/39/18/90/584391890.db2.gz LYECMYOGUYVGRW-LLVKDONJSA-N 2 2 293.371 -0.234 20 0 CBADLP Cn1cc[nH+]c1CNC(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000884629424 584391900 /nfs/dbraw/zinc/39/19/00/584391900.db2.gz MMWCXOPCKZFYQJ-GHMZBOCLSA-N 2 2 291.355 -0.611 20 0 CBADLP Cn1cc[nH+]c1CNC(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000884629784 584391972 /nfs/dbraw/zinc/39/19/72/584391972.db2.gz BXBTUQMPDBOXPJ-JTQLQIEISA-N 2 2 279.344 -0.624 20 0 CBADLP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)C(=O)NCCC[NH3+] ZINC000884673302 584394184 /nfs/dbraw/zinc/39/41/84/584394184.db2.gz SRZLJAXBSUWKCV-CYBMUJFWSA-N 2 2 290.367 -0.246 20 0 CBADLP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)C(=O)NCCC[NH3+] ZINC000884673302 584394186 /nfs/dbraw/zinc/39/41/86/584394186.db2.gz SRZLJAXBSUWKCV-CYBMUJFWSA-N 2 2 290.367 -0.246 20 0 CBADLP CC[NH2+]CCCNC(=O)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000884676249 584394986 /nfs/dbraw/zinc/39/49/86/584394986.db2.gz GWVJXAPERGSANU-UHFFFAOYSA-N 2 2 267.333 -0.516 20 0 CBADLP C[C@H]([NH3+])CNC(=O)C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000884684307 584395566 /nfs/dbraw/zinc/39/55/66/584395566.db2.gz BOUHWSOHSGILTG-GXFFZTMASA-N 2 2 290.367 -0.247 20 0 CBADLP C[C@H]([NH3+])CNC(=O)C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000884684307 584395568 /nfs/dbraw/zinc/39/55/68/584395568.db2.gz BOUHWSOHSGILTG-GXFFZTMASA-N 2 2 290.367 -0.247 20 0 CBADLP C[N@H+](CCO)CCNc1cc(N2CCOCC2)[nH+]cn1 ZINC000884824730 584403976 /nfs/dbraw/zinc/40/39/76/584403976.db2.gz KRNUXDXCOPYYOY-UHFFFAOYSA-N 2 2 281.360 -0.351 20 0 CBADLP C[N@@H+](CCO)CCNc1cc(N2CCOCC2)[nH+]cn1 ZINC000884824730 584403977 /nfs/dbraw/zinc/40/39/77/584403977.db2.gz KRNUXDXCOPYYOY-UHFFFAOYSA-N 2 2 281.360 -0.351 20 0 CBADLP CN(CCCn1cc[nH+]c1)C(=O)C(=O)NCCC(C)(C)[NH3+] ZINC000885201147 584409993 /nfs/dbraw/zinc/40/99/93/584409993.db2.gz ROZDGLBMQIPEBX-UHFFFAOYSA-N 2 2 295.387 -0.025 20 0 CBADLP CNC(=O)NC(=O)C[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886865496 584449910 /nfs/dbraw/zinc/44/99/10/584449910.db2.gz MBCPLAFWXXXAEP-ZDUSSCGKSA-N 2 2 268.361 -0.092 20 0 CBADLP CNC(=O)NC(=O)C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886865496 584449911 /nfs/dbraw/zinc/44/99/11/584449911.db2.gz MBCPLAFWXXXAEP-ZDUSSCGKSA-N 2 2 268.361 -0.092 20 0 CBADLP CC[C@H](C)[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)C(N)=O ZINC000887061042 584459521 /nfs/dbraw/zinc/45/95/21/584459521.db2.gz HWGIHZRWHQUKJQ-TUAOUCFPSA-N 2 2 257.378 -0.067 20 0 CBADLP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CC(=O)NC(N)=O ZINC000887130987 584463865 /nfs/dbraw/zinc/46/38/65/584463865.db2.gz PDFPRUFLKRHDHK-SNVBAGLBSA-N 2 2 277.328 -0.213 20 0 CBADLP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CC(=O)NC(N)=O ZINC000887130987 584463866 /nfs/dbraw/zinc/46/38/66/584463866.db2.gz PDFPRUFLKRHDHK-SNVBAGLBSA-N 2 2 277.328 -0.213 20 0 CBADLP Cc1cc(NC(=O)NCC[N@H+](C)CCO)cc[nH+]1 ZINC000887933678 584478145 /nfs/dbraw/zinc/47/81/45/584478145.db2.gz BAAHOJJJFYYZEQ-UHFFFAOYSA-N 2 2 252.318 -0.142 20 0 CBADLP Cc1cc(NC(=O)NCC[N@@H+](C)CCO)cc[nH+]1 ZINC000887933678 584478147 /nfs/dbraw/zinc/47/81/47/584478147.db2.gz BAAHOJJJFYYZEQ-UHFFFAOYSA-N 2 2 252.318 -0.142 20 0 CBADLP Cn1c[nH+]c(CNC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)c1 ZINC000890113772 584543990 /nfs/dbraw/zinc/54/39/90/584543990.db2.gz PFNNNBFJTZUHEH-NSHDSACASA-N 2 2 293.371 -0.554 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891349882 584579641 /nfs/dbraw/zinc/57/96/41/584579641.db2.gz LHPQFQVKKDFZSR-SRVKXCTJSA-N 2 2 268.361 -0.537 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000891349560 584579685 /nfs/dbraw/zinc/57/96/85/584579685.db2.gz IYAMZOHEPQLTED-VNHYZAJKSA-N 2 2 296.415 -0.042 20 0 CBADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000891350103 584579703 /nfs/dbraw/zinc/57/97/03/584579703.db2.gz LVMNWQVGPIYTMX-IJLUTSLNSA-N 2 2 270.377 -0.162 20 0 CBADLP CC(=O)N1CC[NH+](CCNc2nc(N)cc(C)[nH+]2)CC1 ZINC000891821805 584593071 /nfs/dbraw/zinc/59/30/71/584593071.db2.gz NUPDANHSRYLPHL-UHFFFAOYSA-N 2 2 278.360 -0.057 20 0 CBADLP CNc1cc(N2CCC[N@H+](CC(N)=O)CC2)nc[nH+]1 ZINC000891934295 584594608 /nfs/dbraw/zinc/59/46/08/584594608.db2.gz FLBZZIWQLAHKJW-UHFFFAOYSA-N 2 2 264.333 -0.484 20 0 CBADLP CNc1cc(N2CCC[N@@H+](CC(N)=O)CC2)nc[nH+]1 ZINC000891934295 584594612 /nfs/dbraw/zinc/59/46/12/584594612.db2.gz FLBZZIWQLAHKJW-UHFFFAOYSA-N 2 2 264.333 -0.484 20 0 CBADLP COCC[NH2+]CCNC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000892051196 584601602 /nfs/dbraw/zinc/60/16/02/584601602.db2.gz OUXVKHXUEIQTEW-UHFFFAOYSA-N 2 2 255.322 -0.213 20 0 CBADLP C[C@@H]([NH3+])CNC(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000892101026 584604907 /nfs/dbraw/zinc/60/49/07/584604907.db2.gz AFWLYJKKYATMIV-GFCCVEGCSA-N 2 2 292.387 -0.307 20 0 CBADLP CN1CC[N@H+](C)[C@@H](CNc2cc[nH+]cc2CO)C1 ZINC000892468358 584617090 /nfs/dbraw/zinc/61/70/90/584617090.db2.gz SANMJUOYOZCALS-LBPRGKRZSA-N 2 2 250.346 -0.347 20 0 CBADLP CN1CC[N@@H+](C)[C@@H](CNc2cc[nH+]cc2CO)C1 ZINC000892468358 584617091 /nfs/dbraw/zinc/61/70/91/584617091.db2.gz SANMJUOYOZCALS-LBPRGKRZSA-N 2 2 250.346 -0.347 20 0 CBADLP CCC1([NH3+])CCN(C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])CC1 ZINC000892933917 584629890 /nfs/dbraw/zinc/62/98/90/584629890.db2.gz TWIWIIFDTDJEOU-GFCCVEGCSA-N 3 2 283.420 -0.116 20 0 CBADLP CCC1([NH3+])CCN(C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])CC1 ZINC000892933917 584629893 /nfs/dbraw/zinc/62/98/93/584629893.db2.gz TWIWIIFDTDJEOU-GFCCVEGCSA-N 3 2 283.420 -0.116 20 0 CBADLP C[C@H](NC(=O)NCc1cn(C)c[nH+]1)[C@@H]1C[N@H+](C)CCO1 ZINC000893761838 584644859 /nfs/dbraw/zinc/64/48/59/584644859.db2.gz FEDQEXYPLUTXCD-JQWIXIFHSA-N 2 2 281.360 -0.062 20 0 CBADLP C[C@H](NC(=O)NCc1cn(C)c[nH+]1)[C@@H]1C[N@@H+](C)CCO1 ZINC000893761838 584644860 /nfs/dbraw/zinc/64/48/60/584644860.db2.gz FEDQEXYPLUTXCD-JQWIXIFHSA-N 2 2 281.360 -0.062 20 0 CBADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC[C@@H]2CO)CC1 ZINC000893866738 584648079 /nfs/dbraw/zinc/64/80/79/584648079.db2.gz LRDTUCPDHBWSPV-CYBMUJFWSA-N 2 2 284.404 -0.211 20 0 CBADLP CS(=O)(=O)N1CCN(CC[NH2+]Cc2c[nH+]c[nH]2)CC1 ZINC000894238566 584654481 /nfs/dbraw/zinc/65/44/81/584654481.db2.gz TZUXBNGPHCTLIN-UHFFFAOYSA-N 2 2 287.389 -0.924 20 0 CBADLP COC(=O)c1cn(CC[NH2+]Cc2c[nH+]c[nH]2)nn1 ZINC000894691041 584662229 /nfs/dbraw/zinc/66/22/29/584662229.db2.gz VAFZRWJXOZSPDB-UHFFFAOYSA-N 2 2 250.262 -0.422 20 0 CBADLP C[NH+]1C[C@]2(C)CN(c3nc(N)nc(N)[nH+]3)C[C@@]2(C)C1 ZINC000894802632 584664711 /nfs/dbraw/zinc/66/47/11/584664711.db2.gz QYENHUGZECNHGC-VXGBXAGGSA-N 2 2 263.349 -0.186 20 0 CBADLP CC[NH+]1CCN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)CC1 ZINC000895433052 584679120 /nfs/dbraw/zinc/67/91/20/584679120.db2.gz SHIHKMXMROAWGL-CYBMUJFWSA-N 2 2 267.373 -0.129 20 0 CBADLP COC(=O)[C@]1(O)CC[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000895701696 584685606 /nfs/dbraw/zinc/68/56/06/584685606.db2.gz CEBDOYQJJXKIAA-ZDUSSCGKSA-N 2 2 265.313 -0.061 20 0 CBADLP COC(=O)[C@]1(O)CC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000895701696 584685607 /nfs/dbraw/zinc/68/56/07/584685607.db2.gz CEBDOYQJJXKIAA-ZDUSSCGKSA-N 2 2 265.313 -0.061 20 0 CBADLP COC(=O)[C@]1(O)CC[N@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000895704564 584686040 /nfs/dbraw/zinc/68/60/40/584686040.db2.gz XZOVFKASIOOUMA-ZDUSSCGKSA-N 2 2 282.344 -0.404 20 0 CBADLP COC(=O)[C@]1(O)CC[N@@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000895704564 584686042 /nfs/dbraw/zinc/68/60/42/584686042.db2.gz XZOVFKASIOOUMA-ZDUSSCGKSA-N 2 2 282.344 -0.404 20 0 CBADLP C[C@H]1C[N@H+](CCNC(=O)C2C[NH+]([C@H]3CCOC3)C2)CCO1 ZINC000896042266 584691593 /nfs/dbraw/zinc/69/15/93/584691593.db2.gz GBLSRTQBFMBOJY-JSGCOSHPSA-N 2 2 297.399 -0.456 20 0 CBADLP C[C@H]1C[N@@H+](CCNC(=O)C2C[NH+]([C@H]3CCOC3)C2)CCO1 ZINC000896042266 584691595 /nfs/dbraw/zinc/69/15/95/584691595.db2.gz GBLSRTQBFMBOJY-JSGCOSHPSA-N 2 2 297.399 -0.456 20 0 CBADLP O=C(NCCc1[nH]cc[nH+]1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000896286773 584695257 /nfs/dbraw/zinc/69/52/57/584695257.db2.gz VFDTUYOHVMWQOR-NSHDSACASA-N 2 2 264.329 -0.211 20 0 CBADLP O=C(NCCc1[nH]cc[nH+]1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000896286772 584695302 /nfs/dbraw/zinc/69/53/02/584695302.db2.gz VFDTUYOHVMWQOR-LLVKDONJSA-N 2 2 264.329 -0.211 20 0 CBADLP O=C(C1C[NH+]([C@@H]2CCOC2)C1)N1CC(n2cc[nH+]c2)C1 ZINC000896359033 584696950 /nfs/dbraw/zinc/69/69/50/584696950.db2.gz ZKVNTXJFCFYERG-GFCCVEGCSA-N 2 2 276.340 -0.013 20 0 CBADLP C[C@H](NC(=O)[C@H]1C[N@H+](C)CCO1)[C@H]1C[NH+](C)CCN1C ZINC000896558114 584702194 /nfs/dbraw/zinc/70/21/94/584702194.db2.gz YBAOEIYJCJUTMM-YNEHKIRRSA-N 2 2 284.404 -0.933 20 0 CBADLP C[C@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)[C@H]1C[NH+](C)CCN1C ZINC000896558114 584702195 /nfs/dbraw/zinc/70/21/95/584702195.db2.gz YBAOEIYJCJUTMM-YNEHKIRRSA-N 2 2 284.404 -0.933 20 0 CBADLP C[C@H](NC(=O)[C@H]1C[NH+](C)CCO1)[C@H]1C[N@H+](C)CCN1C ZINC000896558114 584702197 /nfs/dbraw/zinc/70/21/97/584702197.db2.gz YBAOEIYJCJUTMM-YNEHKIRRSA-N 2 2 284.404 -0.933 20 0 CBADLP C[C@H](NC(=O)[C@H]1C[NH+](C)CCO1)[C@H]1C[N@@H+](C)CCN1C ZINC000896558114 584702199 /nfs/dbraw/zinc/70/21/99/584702199.db2.gz YBAOEIYJCJUTMM-YNEHKIRRSA-N 2 2 284.404 -0.933 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)[C@H]2C[NH+](C)CCN2C)C1 ZINC000896554472 584702257 /nfs/dbraw/zinc/70/22/57/584702257.db2.gz GJPAJOVGSAAWFC-MJBXVCDLSA-N 2 2 298.431 -0.542 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C)[C@H]2C[NH+](C)CCN2C)C1 ZINC000896554472 584702259 /nfs/dbraw/zinc/70/22/59/584702259.db2.gz GJPAJOVGSAAWFC-MJBXVCDLSA-N 2 2 298.431 -0.542 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)C1 ZINC000896554472 584702262 /nfs/dbraw/zinc/70/22/62/584702262.db2.gz GJPAJOVGSAAWFC-MJBXVCDLSA-N 2 2 298.431 -0.542 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCN2C)C1 ZINC000896554472 584702263 /nfs/dbraw/zinc/70/22/63/584702263.db2.gz GJPAJOVGSAAWFC-MJBXVCDLSA-N 2 2 298.431 -0.542 20 0 CBADLP CONC(=O)C[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000896925317 584706795 /nfs/dbraw/zinc/70/67/95/584706795.db2.gz VGQMUSWIINPMGT-UHFFFAOYSA-N 2 2 259.350 -0.511 20 0 CBADLP CC(C)(C)[N@@H+]1CC[C@H]1C(=O)NCCC[NH+]1CCNC(=O)C1 ZINC000897175609 584709379 /nfs/dbraw/zinc/70/93/79/584709379.db2.gz WFJOJZTUCFEUMD-LBPRGKRZSA-N 2 2 296.415 -0.203 20 0 CBADLP CC(C)(C)[N@H+]1CC[C@H]1C(=O)NCCC[NH+]1CCNC(=O)C1 ZINC000897175609 584709380 /nfs/dbraw/zinc/70/93/80/584709380.db2.gz WFJOJZTUCFEUMD-LBPRGKRZSA-N 2 2 296.415 -0.203 20 0 CBADLP CC(C)(C)[NH+]1CC[C@H]1C(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000897175609 584709382 /nfs/dbraw/zinc/70/93/82/584709382.db2.gz WFJOJZTUCFEUMD-LBPRGKRZSA-N 2 2 296.415 -0.203 20 0 CBADLP CC(C)(C)[NH+]1CC[C@H]1C(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000897175609 584709384 /nfs/dbraw/zinc/70/93/84/584709384.db2.gz WFJOJZTUCFEUMD-LBPRGKRZSA-N 2 2 296.415 -0.203 20 0 CBADLP C[NH+]1CCN(CC(=O)N[C@H]2CCC[N@H+](CCF)C2)CC1 ZINC000898489034 584736506 /nfs/dbraw/zinc/73/65/06/584736506.db2.gz AEYFJQZJRFPDHE-ZDUSSCGKSA-N 2 2 286.395 -0.216 20 0 CBADLP C[NH+]1CCN(CC(=O)N[C@H]2CCC[N@@H+](CCF)C2)CC1 ZINC000898489034 584736508 /nfs/dbraw/zinc/73/65/08/584736508.db2.gz AEYFJQZJRFPDHE-ZDUSSCGKSA-N 2 2 286.395 -0.216 20 0 CBADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCC[NH+](CCF)C2)C1 ZINC000898495535 584736544 /nfs/dbraw/zinc/73/65/44/584736544.db2.gz SYXPMLJTKQYDAI-VXGBXAGGSA-N 2 2 273.352 -0.133 20 0 CBADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCC[NH+](CCF)C2)C1 ZINC000898495535 584736546 /nfs/dbraw/zinc/73/65/46/584736546.db2.gz SYXPMLJTKQYDAI-VXGBXAGGSA-N 2 2 273.352 -0.133 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2CCC[N@H+](CCF)C2)C1 ZINC000898495535 584736549 /nfs/dbraw/zinc/73/65/49/584736549.db2.gz SYXPMLJTKQYDAI-VXGBXAGGSA-N 2 2 273.352 -0.133 20 0 CBADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2CCC[N@@H+](CCF)C2)C1 ZINC000898495535 584736550 /nfs/dbraw/zinc/73/65/50/584736550.db2.gz SYXPMLJTKQYDAI-VXGBXAGGSA-N 2 2 273.352 -0.133 20 0 CBADLP Cn1c[nH+]cc1[C@@H](CO)NC(=O)[C@H]1CCC[N@@H+]1C ZINC000898885351 584744311 /nfs/dbraw/zinc/74/43/11/584744311.db2.gz XEHKULGMKUKEJK-NXEZZACHSA-N 2 2 252.318 -0.336 20 0 CBADLP Cn1c[nH+]cc1[C@@H](CO)NC(=O)[C@H]1CCC[N@H+]1C ZINC000898885351 584744312 /nfs/dbraw/zinc/74/43/12/584744312.db2.gz XEHKULGMKUKEJK-NXEZZACHSA-N 2 2 252.318 -0.336 20 0 CBADLP CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC000899223283 584753757 /nfs/dbraw/zinc/75/37/57/584753757.db2.gz DRPCCJQYCZHJSO-IJLUTSLNSA-N 2 2 255.362 -0.084 20 0 CBADLP CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC000899223283 584753758 /nfs/dbraw/zinc/75/37/58/584753758.db2.gz DRPCCJQYCZHJSO-IJLUTSLNSA-N 2 2 255.362 -0.084 20 0 CBADLP CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000899223283 584753759 /nfs/dbraw/zinc/75/37/59/584753759.db2.gz DRPCCJQYCZHJSO-IJLUTSLNSA-N 2 2 255.362 -0.084 20 0 CBADLP CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000899223283 584753760 /nfs/dbraw/zinc/75/37/60/584753760.db2.gz DRPCCJQYCZHJSO-IJLUTSLNSA-N 2 2 255.362 -0.084 20 0 CBADLP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)NCC[NH+]1CCOCC1)C2 ZINC000899248408 584754728 /nfs/dbraw/zinc/75/47/28/584754728.db2.gz PCEPRFZZRXCLIF-XQQFMLRXSA-N 2 2 282.388 -0.160 20 0 CBADLP C[N@H+](CCO)CCNC(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000899729602 584776113 /nfs/dbraw/zinc/77/61/13/584776113.db2.gz LEVNGYXBBXJDNB-UHFFFAOYSA-N 2 2 289.339 -0.079 20 0 CBADLP C[N@@H+](CCO)CCNC(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000899729602 584776115 /nfs/dbraw/zinc/77/61/15/584776115.db2.gz LEVNGYXBBXJDNB-UHFFFAOYSA-N 2 2 289.339 -0.079 20 0 CBADLP CNC(=O)NCc1cn(CC[N@H+](C)CCC[NH+](C)C)nn1 ZINC000899729744 584776193 /nfs/dbraw/zinc/77/61/93/584776193.db2.gz ADSYQYAOTKRKBF-UHFFFAOYSA-N 2 2 297.407 -0.409 20 0 CBADLP CNC(=O)NCc1cn(CC[N@@H+](C)CCC[NH+](C)C)nn1 ZINC000899729744 584776197 /nfs/dbraw/zinc/77/61/97/584776197.db2.gz ADSYQYAOTKRKBF-UHFFFAOYSA-N 2 2 297.407 -0.409 20 0 CBADLP C[C@@H](CC(=O)NCC[N@H+](C)CCO)n1cc[nH+]c1 ZINC000899740818 584779456 /nfs/dbraw/zinc/77/94/56/584779456.db2.gz OJUPWSWRCFUAON-NSHDSACASA-N 2 2 254.334 -0.126 20 0 CBADLP C[C@@H](CC(=O)NCC[N@@H+](C)CCO)n1cc[nH+]c1 ZINC000899740818 584779458 /nfs/dbraw/zinc/77/94/58/584779458.db2.gz OJUPWSWRCFUAON-NSHDSACASA-N 2 2 254.334 -0.126 20 0 CBADLP C/C(=C/C(=O)NCC[NH+]1CCOCC1)C[NH+]1CCOCC1 ZINC000899928900 584785502 /nfs/dbraw/zinc/78/55/02/584785502.db2.gz VLJKTOKUKOHMLV-OWBHPGMISA-N 2 2 297.399 -0.287 20 0 CBADLP CC(=O)N1CC[NH+](CCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC000900202611 584795183 /nfs/dbraw/zinc/79/51/83/584795183.db2.gz MWPYBNUBBNIFNA-UHFFFAOYSA-N 2 2 294.399 -0.638 20 0 CBADLP Cc1[nH+]ccn1CCNC(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC000900448751 584804819 /nfs/dbraw/zinc/80/48/19/584804819.db2.gz NGUPJWBYNDYWJW-WCQYABFASA-N 2 2 266.345 -0.237 20 0 CBADLP Cc1[nH+]ccn1CCNC(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000900448751 584804821 /nfs/dbraw/zinc/80/48/21/584804821.db2.gz NGUPJWBYNDYWJW-WCQYABFASA-N 2 2 266.345 -0.237 20 0 CBADLP C[C@@H]1C[N@H+](CCNC(=O)C[C@@]2(O)CCC[NH+](C)C2)CCO1 ZINC000900486158 584807424 /nfs/dbraw/zinc/80/74/24/584807424.db2.gz SSSYYTGQKIAQLF-HIFRSBDPSA-N 2 2 299.415 -0.330 20 0 CBADLP C[C@@H]1C[N@@H+](CCNC(=O)C[C@@]2(O)CCC[NH+](C)C2)CCO1 ZINC000900486158 584807426 /nfs/dbraw/zinc/80/74/26/584807426.db2.gz SSSYYTGQKIAQLF-HIFRSBDPSA-N 2 2 299.415 -0.330 20 0 CBADLP C[C@@H]1C[NH+](CCNC(=O)C[C@@]2(O)CCC[N@H+](C)C2)CCO1 ZINC000900486158 584807428 /nfs/dbraw/zinc/80/74/28/584807428.db2.gz SSSYYTGQKIAQLF-HIFRSBDPSA-N 2 2 299.415 -0.330 20 0 CBADLP C[C@@H]1C[NH+](CCNC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)CCO1 ZINC000900486158 584807429 /nfs/dbraw/zinc/80/74/29/584807429.db2.gz SSSYYTGQKIAQLF-HIFRSBDPSA-N 2 2 299.415 -0.330 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC000900519037 584809717 /nfs/dbraw/zinc/80/97/17/584809717.db2.gz SSGAFWHUYPLYFP-JSGCOSHPSA-N 2 2 285.388 -0.768 20 0 CBADLP CN(CC[NH+]1CCOCC1)C(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC000900519037 584809718 /nfs/dbraw/zinc/80/97/18/584809718.db2.gz SSGAFWHUYPLYFP-JSGCOSHPSA-N 2 2 285.388 -0.768 20 0 CBADLP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCCc1[nH]cc[nH+]1 ZINC000900646369 584818592 /nfs/dbraw/zinc/81/85/92/584818592.db2.gz APGSDZOUQPXIKF-JOYOIKCWSA-N 2 2 252.318 -0.477 20 0 CBADLP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCCc1[nH]cc[nH+]1 ZINC000900646369 584818594 /nfs/dbraw/zinc/81/85/94/584818594.db2.gz APGSDZOUQPXIKF-JOYOIKCWSA-N 2 2 252.318 -0.477 20 0 CBADLP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCCc1[nH]cc[nH+]1 ZINC000900646368 584818646 /nfs/dbraw/zinc/81/86/46/584818646.db2.gz APGSDZOUQPXIKF-CABZTGNLSA-N 2 2 252.318 -0.477 20 0 CBADLP C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCCc1[nH]cc[nH+]1 ZINC000900646368 584818647 /nfs/dbraw/zinc/81/86/47/584818647.db2.gz APGSDZOUQPXIKF-CABZTGNLSA-N 2 2 252.318 -0.477 20 0 CBADLP CN1CC[N@H+](C)[C@H](CNC(=O)C[C@]2(O)CCC[NH+](C)C2)C1 ZINC000900659378 584819337 /nfs/dbraw/zinc/81/93/37/584819337.db2.gz MTIYHJRGDRZFGF-UKRRQHHQSA-N 2 2 298.431 -0.805 20 0 CBADLP CN1CC[N@@H+](C)[C@H](CNC(=O)C[C@]2(O)CCC[NH+](C)C2)C1 ZINC000900659378 584819338 /nfs/dbraw/zinc/81/93/38/584819338.db2.gz MTIYHJRGDRZFGF-UKRRQHHQSA-N 2 2 298.431 -0.805 20 0 CBADLP CN1CC[NH+](C)[C@H](CNC(=O)C[C@]2(O)CCC[N@H+](C)C2)C1 ZINC000900659378 584819339 /nfs/dbraw/zinc/81/93/39/584819339.db2.gz MTIYHJRGDRZFGF-UKRRQHHQSA-N 2 2 298.431 -0.805 20 0 CBADLP CN1CC[NH+](C)[C@H](CNC(=O)C[C@]2(O)CCC[N@@H+](C)C2)C1 ZINC000900659378 584819340 /nfs/dbraw/zinc/81/93/40/584819340.db2.gz MTIYHJRGDRZFGF-UKRRQHHQSA-N 2 2 298.431 -0.805 20 0 CBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H](O)C(C)(C)O)C2)CC1 ZINC000900672163 584820343 /nfs/dbraw/zinc/82/03/43/584820343.db2.gz AGQOMOAAXCKVEL-DGCLKSJQSA-N 2 2 299.415 -0.597 20 0 CBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H](O)C(C)(C)O)C2)CC1 ZINC000900672163 584820345 /nfs/dbraw/zinc/82/03/45/584820345.db2.gz AGQOMOAAXCKVEL-DGCLKSJQSA-N 2 2 299.415 -0.597 20 0 CBADLP COCC[NH+]1CCN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)CC1 ZINC000900684451 584821377 /nfs/dbraw/zinc/82/13/77/584821377.db2.gz RCQXJZVNYLUDTO-AWEZNQCLSA-N 2 2 297.399 -0.502 20 0 CBADLP C[S@](=O)CC[NH+]1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000900807912 584827940 /nfs/dbraw/zinc/82/79/40/584827940.db2.gz DXZQRCAWNNXHEC-FQEVSTJZSA-N 2 2 299.440 -0.395 20 0 CBADLP Cn1nnnc1CCC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000902462649 584877382 /nfs/dbraw/zinc/87/73/82/584877382.db2.gz WWYBCSZOURREJD-AAEUAGOBSA-N 2 2 280.376 -0.501 20 0 CBADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902462152 584877414 /nfs/dbraw/zinc/87/74/14/584877414.db2.gz UCSLDGOVWRPUIW-VSSNEEPJSA-N 2 2 253.346 -0.238 20 0 CBADLP C[N@H+](CC[NH2+][C@H]1CCO[C@@]12CCOC2)CCOCCO ZINC000903219685 584889580 /nfs/dbraw/zinc/88/95/80/584889580.db2.gz IOMSZUDQDFSWMF-UONOGXRCSA-N 2 2 288.388 -0.535 20 0 CBADLP C[N@@H+](CC[NH2+][C@H]1CCO[C@@]12CCOC2)CCOCCO ZINC000903219685 584889581 /nfs/dbraw/zinc/88/95/81/584889581.db2.gz IOMSZUDQDFSWMF-UONOGXRCSA-N 2 2 288.388 -0.535 20 0 CBADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@@]1(CO)COCCN1C ZINC000903282360 584889913 /nfs/dbraw/zinc/88/99/13/584889913.db2.gz SOSRBMARVJQFFV-BPLDGKMQSA-N 2 2 283.416 -0.248 20 0 CBADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@@]1(CO)COCCN1C ZINC000903282360 584889914 /nfs/dbraw/zinc/88/99/14/584889914.db2.gz SOSRBMARVJQFFV-BPLDGKMQSA-N 2 2 283.416 -0.248 20 0 CBADLP CC(C)NC(=O)C[NH+]1CCN(C[C@H]2CCC[NH2+]2)CC1 ZINC000903441042 584890461 /nfs/dbraw/zinc/89/04/61/584890461.db2.gz HQQDPWCBQTXGNY-CYBMUJFWSA-N 2 2 268.405 -0.119 20 0 CBADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](Cc2cnns2)C1 ZINC000903449530 584890479 /nfs/dbraw/zinc/89/04/79/584890479.db2.gz TWMRWUVVJHKQHM-SNVBAGLBSA-N 2 2 281.385 -0.066 20 0 CBADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](Cc2cnns2)C1 ZINC000903449530 584890480 /nfs/dbraw/zinc/89/04/80/584890480.db2.gz TWMRWUVVJHKQHM-SNVBAGLBSA-N 2 2 281.385 -0.066 20 0 CBADLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000903457449 584890662 /nfs/dbraw/zinc/89/06/62/584890662.db2.gz STMCVQMMUGSSHY-WOPDTQHZSA-N 2 2 275.418 -0.192 20 0 CBADLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000903457449 584890664 /nfs/dbraw/zinc/89/06/64/584890664.db2.gz STMCVQMMUGSSHY-WOPDTQHZSA-N 2 2 275.418 -0.192 20 0 CBADLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000903463939 584890786 /nfs/dbraw/zinc/89/07/86/584890786.db2.gz STMCVQMMUGSSHY-UTUOFQBUSA-N 2 2 275.418 -0.192 20 0 CBADLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000903463939 584890788 /nfs/dbraw/zinc/89/07/88/584890788.db2.gz STMCVQMMUGSSHY-UTUOFQBUSA-N 2 2 275.418 -0.192 20 0 CBADLP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCN(c2nncn2C)CC1 ZINC000903463409 584890804 /nfs/dbraw/zinc/89/08/04/584890804.db2.gz AEEDPGFHEYZULR-NEPJUHHUSA-N 2 2 264.377 -0.207 20 0 CBADLP CCO[C@@H]1C[N@@H+]([C@@H]2CCN(OC)C2=O)C[C@H]1C[NH3+] ZINC000903461767 584890879 /nfs/dbraw/zinc/89/08/79/584890879.db2.gz XXPFIRVBIHYLBL-GMTAPVOTSA-N 2 2 257.334 -0.556 20 0 CBADLP CCO[C@@H]1C[N@H+]([C@@H]2CCN(OC)C2=O)C[C@H]1C[NH3+] ZINC000903461767 584890880 /nfs/dbraw/zinc/89/08/80/584890880.db2.gz XXPFIRVBIHYLBL-GMTAPVOTSA-N 2 2 257.334 -0.556 20 0 CBADLP CNS(=O)(=O)C[C@@H]1CCC[N@H+](C[C@H]2CCC[NH2+]2)C1 ZINC000903474670 584891141 /nfs/dbraw/zinc/89/11/41/584891141.db2.gz OYNCNHHNTJXUBB-VXGBXAGGSA-N 2 2 275.418 0.000 20 0 CBADLP CNS(=O)(=O)C[C@@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]2)C1 ZINC000903474670 584891142 /nfs/dbraw/zinc/89/11/42/584891142.db2.gz OYNCNHHNTJXUBB-VXGBXAGGSA-N 2 2 275.418 0.000 20 0 CBADLP COC(=O)CCNC(=O)C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000903483080 584891314 /nfs/dbraw/zinc/89/13/14/584891314.db2.gz CZLPAZCVZWDHJY-LLVKDONJSA-N 2 2 283.372 -0.070 20 0 CBADLP Cn1c(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)cc(=O)n(C)c1=O ZINC000903485749 584891472 /nfs/dbraw/zinc/89/14/72/584891472.db2.gz PTCIQRWVNVHBGH-GFCCVEGCSA-N 2 2 292.383 -0.152 20 0 CBADLP [NH3+]C1CC[NH+](CCNS(=O)(=O)CCCF)CC1 ZINC000903565987 584893388 /nfs/dbraw/zinc/89/33/88/584893388.db2.gz GXEGVSYDGBLLPW-UHFFFAOYSA-N 2 2 267.370 -0.312 20 0 CBADLP CCN(C)S(=O)(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000903566411 584893449 /nfs/dbraw/zinc/89/34/49/584893449.db2.gz SGOHWMAESCZSPS-UHFFFAOYSA-N 2 2 264.395 -0.804 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)CC1 ZINC000903711108 584895399 /nfs/dbraw/zinc/89/53/99/584895399.db2.gz RDJOSBVKXKELJS-LLVKDONJSA-N 2 2 282.388 -0.654 20 0 CBADLP CC1(C)C(=O)NCC[N@H+]1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903729062 584896184 /nfs/dbraw/zinc/89/61/84/584896184.db2.gz JJVIOGUQIITBLN-RISCZKNCSA-N 2 2 267.373 -0.035 20 0 CBADLP CC1(C)C(=O)NCC[N@@H+]1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903729062 584896185 /nfs/dbraw/zinc/89/61/85/584896185.db2.gz JJVIOGUQIITBLN-RISCZKNCSA-N 2 2 267.373 -0.035 20 0 CBADLP CC(=O)NC[C@@H]1C[N@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CCO1 ZINC000903729209 584896242 /nfs/dbraw/zinc/89/62/42/584896242.db2.gz KUJCFOWMLHOABC-KFWWJZLASA-N 2 2 297.399 -0.408 20 0 CBADLP CC(=O)NC[C@@H]1C[N@@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CCO1 ZINC000903729209 584896244 /nfs/dbraw/zinc/89/62/44/584896244.db2.gz KUJCFOWMLHOABC-KFWWJZLASA-N 2 2 297.399 -0.408 20 0 CBADLP [NH3+]C[C@@H]1C[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CCO1 ZINC000903744519 584896807 /nfs/dbraw/zinc/89/68/07/584896807.db2.gz UIPJIEZBYSCDEI-QWHCGFSZSA-N 3 2 269.389 -0.195 20 0 CBADLP [NH3+]C[C@@H]1C[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CCO1 ZINC000903744519 584896808 /nfs/dbraw/zinc/89/68/08/584896808.db2.gz UIPJIEZBYSCDEI-QWHCGFSZSA-N 3 2 269.389 -0.195 20 0 CBADLP C(c1[nH]nc2c1COCC2)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000903749145 584897128 /nfs/dbraw/zinc/89/71/28/584897128.db2.gz GDZQKBDHCIGDCG-LBPRGKRZSA-N 2 2 291.399 -0.038 20 0 CBADLP COCC[N@@H+](CC(=O)OC)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903751599 584897375 /nfs/dbraw/zinc/89/73/75/584897375.db2.gz HASWUOZHMGVCOC-OCCSQVGLSA-N 2 2 286.372 -0.124 20 0 CBADLP COCC[N@H+](CC(=O)OC)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903751599 584897377 /nfs/dbraw/zinc/89/73/77/584897377.db2.gz HASWUOZHMGVCOC-OCCSQVGLSA-N 2 2 286.372 -0.124 20 0 CBADLP [NH3+][C@@]12CCC[C@H]1C[N@H+](CCN1CCCS1(=O)=O)C2 ZINC000903769504 584898376 /nfs/dbraw/zinc/89/83/76/584898376.db2.gz HYKPLJFRXKVNIW-NWDGAFQWSA-N 2 2 273.402 -0.165 20 0 CBADLP [NH3+][C@@]12CCC[C@H]1C[N@@H+](CCN1CCCS1(=O)=O)C2 ZINC000903769504 584898377 /nfs/dbraw/zinc/89/83/77/584898377.db2.gz HYKPLJFRXKVNIW-NWDGAFQWSA-N 2 2 273.402 -0.165 20 0 CBADLP C[C@@H]1C[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CC(=O)N1 ZINC000903769189 584898498 /nfs/dbraw/zinc/89/84/98/584898498.db2.gz ZIMKQEJNBKLQKG-VXGBXAGGSA-N 2 2 267.373 -0.035 20 0 CBADLP C[C@@H]1C[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CC(=O)N1 ZINC000903769189 584898499 /nfs/dbraw/zinc/89/84/99/584898499.db2.gz ZIMKQEJNBKLQKG-VXGBXAGGSA-N 2 2 267.373 -0.035 20 0 CBADLP [NH3+][C@@]1(CO)CCC[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903786445 584899754 /nfs/dbraw/zinc/89/97/54/584899754.db2.gz IYWTVHADTMYGMJ-ZFWWWQNUSA-N 3 2 283.416 -0.069 20 0 CBADLP [NH3+][C@@]1(CO)CCC[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903786445 584899755 /nfs/dbraw/zinc/89/97/55/584899755.db2.gz IYWTVHADTMYGMJ-ZFWWWQNUSA-N 3 2 283.416 -0.069 20 0 CBADLP CN1CC(=O)N(CC[N@@H+]2CC[C@H]3CC[C@]32C[NH3+])C1=O ZINC000903865198 584902513 /nfs/dbraw/zinc/90/25/13/584902513.db2.gz YROQPYVQQYRNFA-MFKMUULPSA-N 2 2 266.345 -0.306 20 0 CBADLP CN1CC(=O)N(CC[N@H+]2CC[C@H]3CC[C@]32C[NH3+])C1=O ZINC000903865198 584902514 /nfs/dbraw/zinc/90/25/14/584902514.db2.gz YROQPYVQQYRNFA-MFKMUULPSA-N 2 2 266.345 -0.306 20 0 CBADLP CCOC(=O)[C@@H]1C[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000903874643 584903188 /nfs/dbraw/zinc/90/31/88/584903188.db2.gz GMWAITTYJXEUNC-NEPJUHHUSA-N 2 2 284.356 -0.229 20 0 CBADLP CCOC(=O)[C@@H]1C[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000903874643 584903189 /nfs/dbraw/zinc/90/31/89/584903189.db2.gz GMWAITTYJXEUNC-NEPJUHHUSA-N 2 2 284.356 -0.229 20 0 CBADLP CCOC(=O)[C@@H]1C[N@H+](CCN2CC[NH2+]CC2)CCO1 ZINC000903876380 584903273 /nfs/dbraw/zinc/90/32/73/584903273.db2.gz XSZBRKUEOUYJQA-LBPRGKRZSA-N 2 2 271.361 -0.845 20 0 CBADLP CCOC(=O)[C@@H]1C[N@@H+](CCN2CC[NH2+]CC2)CCO1 ZINC000903876380 584903275 /nfs/dbraw/zinc/90/32/75/584903275.db2.gz XSZBRKUEOUYJQA-LBPRGKRZSA-N 2 2 271.361 -0.845 20 0 CBADLP Cc1c(C[C@@H](C[NH3+])C[N@@H+](C)CC(=O)N(C)C)cnn1C ZINC000903877260 584903289 /nfs/dbraw/zinc/90/32/89/584903289.db2.gz LJOGFNNYXRHYNK-LBPRGKRZSA-N 2 2 281.404 -0.134 20 0 CBADLP Cc1c(C[C@@H](C[NH3+])C[N@H+](C)CC(=O)N(C)C)cnn1C ZINC000903877260 584903291 /nfs/dbraw/zinc/90/32/91/584903291.db2.gz LJOGFNNYXRHYNK-LBPRGKRZSA-N 2 2 281.404 -0.134 20 0 CBADLP CNC(=O)[C@@H]1CCC[N@@H+]1Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903886035 584904041 /nfs/dbraw/zinc/90/40/41/584904041.db2.gz QTLBTUIJRRNUSS-AAEUAGOBSA-N 2 2 292.387 -0.087 20 0 CBADLP CNC(=O)[C@@H]1CCC[N@H+]1Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903886035 584904043 /nfs/dbraw/zinc/90/40/43/584904043.db2.gz QTLBTUIJRRNUSS-AAEUAGOBSA-N 2 2 292.387 -0.087 20 0 CBADLP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCO[C@@H]([C@@H](C)O)C2)cnn1C ZINC000903930126 584904689 /nfs/dbraw/zinc/90/46/89/584904689.db2.gz SRGNKKYIKFKLRS-UMVBOHGHSA-N 2 2 296.415 -0.072 20 0 CBADLP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCO[C@@H]([C@@H](C)O)C2)cnn1C ZINC000903930126 584904690 /nfs/dbraw/zinc/90/46/90/584904690.db2.gz SRGNKKYIKFKLRS-UMVBOHGHSA-N 2 2 296.415 -0.072 20 0 CBADLP C[N@H+](CCOCC[NH3+])Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903936092 584904885 /nfs/dbraw/zinc/90/48/85/584904885.db2.gz YCLMUNKYRFFXTR-LBPRGKRZSA-N 3 2 282.392 -0.390 20 0 CBADLP C[N@@H+](CCOCC[NH3+])Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903936092 584904887 /nfs/dbraw/zinc/90/48/87/584904887.db2.gz YCLMUNKYRFFXTR-LBPRGKRZSA-N 3 2 282.392 -0.390 20 0 CBADLP CN1CC[N@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)CCC1=O ZINC000903933404 584904937 /nfs/dbraw/zinc/90/49/37/584904937.db2.gz QOICYLKWSSSZPA-GFCCVEGCSA-N 2 2 292.387 -0.133 20 0 CBADLP CN1CC[N@@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)CCC1=O ZINC000903933404 584904938 /nfs/dbraw/zinc/90/49/38/584904938.db2.gz QOICYLKWSSSZPA-GFCCVEGCSA-N 2 2 292.387 -0.133 20 0 CBADLP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1C[NH+](CC(N)=O)C1 ZINC000970745102 617185536 /nfs/dbraw/zinc/18/55/36/617185536.db2.gz JADGCDKDTCPMGS-SNVBAGLBSA-N 2 2 280.372 -0.996 20 0 CBADLP CC(C)[C@@H](C(=O)N1CCC[N@@H+]([C@H](C)C(N)=O)CC1)[NH+](C)C ZINC000981387262 614072765 /nfs/dbraw/zinc/07/27/65/614072765.db2.gz HIOAMEVLLZRKCG-OLZOCXBDSA-N 2 2 298.431 -0.019 20 0 CBADLP CC(C)[C@@H](C(=O)N1CCC[N@H+]([C@H](C)C(N)=O)CC1)[NH+](C)C ZINC000981387262 614072767 /nfs/dbraw/zinc/07/27/67/614072767.db2.gz HIOAMEVLLZRKCG-OLZOCXBDSA-N 2 2 298.431 -0.019 20 0 CBADLP CC1(C)C[N@H+](CC(N)=O)CC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000941220799 614612596 /nfs/dbraw/zinc/61/25/96/614612596.db2.gz HVLOFCMUXLPPAF-GFCCVEGCSA-N 2 2 296.415 -0.216 20 0 CBADLP CC1(C)C[N@@H+](CC(N)=O)CC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000941220799 614612601 /nfs/dbraw/zinc/61/26/01/614612601.db2.gz HVLOFCMUXLPPAF-GFCCVEGCSA-N 2 2 296.415 -0.216 20 0 CBADLP CCN(C(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C1C[NH+](CCO)C1 ZINC000950381389 614685013 /nfs/dbraw/zinc/68/50/13/614685013.db2.gz RSTPYZDMHAQKIH-TZMCWYRMSA-N 2 2 297.399 -0.625 20 0 CBADLP CCN(C(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1)C1C[NH+](CCO)C1 ZINC000950381389 614685014 /nfs/dbraw/zinc/68/50/14/614685014.db2.gz RSTPYZDMHAQKIH-TZMCWYRMSA-N 2 2 297.399 -0.625 20 0 CBADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](CC(N)=O)C1 ZINC000970928048 615111470 /nfs/dbraw/zinc/11/14/70/615111470.db2.gz IGEIOVLKQALUBL-DGCLKSJQSA-N 2 2 296.415 -0.217 20 0 CBADLP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](CC(N)=O)C1 ZINC000970928048 615111471 /nfs/dbraw/zinc/11/14/71/615111471.db2.gz IGEIOVLKQALUBL-DGCLKSJQSA-N 2 2 296.415 -0.217 20 0 CBADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCF)C[C@H]32)C1 ZINC000962666276 615184809 /nfs/dbraw/zinc/18/48/09/615184809.db2.gz NEPYSEUNYGXJRX-QNWHQSFQSA-N 2 2 285.363 -0.277 20 0 CBADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCF)C[C@H]32)C1 ZINC000962666276 615184810 /nfs/dbraw/zinc/18/48/10/615184810.db2.gz NEPYSEUNYGXJRX-QNWHQSFQSA-N 2 2 285.363 -0.277 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CCF)C[C@H]32)C1 ZINC000962666276 615184811 /nfs/dbraw/zinc/18/48/11/615184811.db2.gz NEPYSEUNYGXJRX-QNWHQSFQSA-N 2 2 285.363 -0.277 20 0 CBADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCF)C[C@H]32)C1 ZINC000962666276 615184812 /nfs/dbraw/zinc/18/48/12/615184812.db2.gz NEPYSEUNYGXJRX-QNWHQSFQSA-N 2 2 285.363 -0.277 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000980539342 615394562 /nfs/dbraw/zinc/39/45/62/615394562.db2.gz QBLSXPRWQUMUBX-RYUDHWBXSA-N 2 2 293.371 -0.320 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000980539342 615394565 /nfs/dbraw/zinc/39/45/65/615394565.db2.gz QBLSXPRWQUMUBX-RYUDHWBXSA-N 2 2 293.371 -0.320 20 0 CBADLP CC[C@@H]([NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1)C(N)=O ZINC000970857565 615537754 /nfs/dbraw/zinc/53/77/54/615537754.db2.gz BECUOOLBADXILV-GHMZBOCLSA-N 2 2 279.344 -0.663 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1 ZINC000963012328 615622418 /nfs/dbraw/zinc/62/24/18/615622418.db2.gz AGGGGDPSGKQXPC-XZUYRWCXSA-N 2 2 291.355 -0.807 20 0 CBADLP CC[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1 ZINC000963012328 615622419 /nfs/dbraw/zinc/62/24/19/615622419.db2.gz AGGGGDPSGKQXPC-XZUYRWCXSA-N 2 2 291.355 -0.807 20 0 CBADLP C[N@H+](CCO)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000972426883 616112708 /nfs/dbraw/zinc/11/27/08/616112708.db2.gz RHCZDTRCTGDVNC-NSHDSACASA-N 2 2 252.318 -0.523 20 0 CBADLP C[N@@H+](CCO)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000972426883 616112709 /nfs/dbraw/zinc/11/27/09/616112709.db2.gz RHCZDTRCTGDVNC-NSHDSACASA-N 2 2 252.318 -0.523 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]([N@H+](C)CCO)C1 ZINC000972727543 616112781 /nfs/dbraw/zinc/11/27/81/616112781.db2.gz DLQUFKPNTRSLJE-NSHDSACASA-N 2 2 266.345 -0.512 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]([N@@H+](C)CCO)C1 ZINC000972727543 616112782 /nfs/dbraw/zinc/11/27/82/616112782.db2.gz DLQUFKPNTRSLJE-NSHDSACASA-N 2 2 266.345 -0.512 20 0 CBADLP C[N@H+](CCO)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000980539718 616113059 /nfs/dbraw/zinc/11/30/59/616113059.db2.gz UXFIPGNFHQKKKJ-NSHDSACASA-N 2 2 252.318 -0.592 20 0 CBADLP C[N@@H+](CCO)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000980539718 616113060 /nfs/dbraw/zinc/11/30/60/616113060.db2.gz UXFIPGNFHQKKKJ-NSHDSACASA-N 2 2 252.318 -0.592 20 0 CBADLP C[N@H+](CCO)[C@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000971816548 616113154 /nfs/dbraw/zinc/11/31/54/616113154.db2.gz BMASLHQNTZRHEB-OLZOCXBDSA-N 2 2 292.383 -0.030 20 0 CBADLP C[N@@H+](CCO)[C@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000971816548 616113155 /nfs/dbraw/zinc/11/31/55/616113155.db2.gz BMASLHQNTZRHEB-OLZOCXBDSA-N 2 2 292.383 -0.030 20 0 CBADLP C[N@@H+]([C@@H]1CCNC1=O)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000972430064 616116538 /nfs/dbraw/zinc/11/65/38/616116538.db2.gz YRSZJKOAMPWQQO-NWDGAFQWSA-N 2 2 291.355 -0.627 20 0 CBADLP C[N@H+]([C@@H]1CCNC1=O)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000972430064 616116539 /nfs/dbraw/zinc/11/65/39/616116539.db2.gz YRSZJKOAMPWQQO-NWDGAFQWSA-N 2 2 291.355 -0.627 20 0 CBADLP C[N@H+](CC(N)=O)[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000971802093 616183292 /nfs/dbraw/zinc/18/32/92/616183292.db2.gz YTGYAJNGRRUBNV-NEPJUHHUSA-N 2 2 282.388 -0.511 20 0 CBADLP C[N@@H+](CC(N)=O)[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000971802093 616183293 /nfs/dbraw/zinc/18/32/93/616183293.db2.gz YTGYAJNGRRUBNV-NEPJUHHUSA-N 2 2 282.388 -0.511 20 0 CBADLP C[NH+](CC(N)=O)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000971802093 616183294 /nfs/dbraw/zinc/18/32/94/616183294.db2.gz YTGYAJNGRRUBNV-NEPJUHHUSA-N 2 2 282.388 -0.511 20 0 CBADLP C[NH+](CC(N)=O)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000971802093 616183295 /nfs/dbraw/zinc/18/32/95/616183295.db2.gz YTGYAJNGRRUBNV-NEPJUHHUSA-N 2 2 282.388 -0.511 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CC(N)=O ZINC000968780236 616193012 /nfs/dbraw/zinc/19/30/12/616193012.db2.gz BETDDQDBLYFUAJ-QWHCGFSZSA-N 2 2 296.415 -0.073 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCCC[NH+]1CC(N)=O ZINC000968780236 616193013 /nfs/dbraw/zinc/19/30/13/616193013.db2.gz BETDDQDBLYFUAJ-QWHCGFSZSA-N 2 2 296.415 -0.073 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1CC(N)=O ZINC000968780236 616193014 /nfs/dbraw/zinc/19/30/14/616193014.db2.gz BETDDQDBLYFUAJ-QWHCGFSZSA-N 2 2 296.415 -0.073 20 0 CBADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1CC(N)=O ZINC000968780236 616193015 /nfs/dbraw/zinc/19/30/15/616193015.db2.gz BETDDQDBLYFUAJ-QWHCGFSZSA-N 2 2 296.415 -0.073 20 0 CBADLP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[NH+](CC(N)=O)CC2(C)C)C1 ZINC000977452048 616269543 /nfs/dbraw/zinc/26/95/43/616269543.db2.gz KGPKTIRAAINPIR-RYUDHWBXSA-N 2 2 296.415 -0.360 20 0 CBADLP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2C[NH+](CC(N)=O)CC2(C)C)C1 ZINC000977452048 616269544 /nfs/dbraw/zinc/26/95/44/616269544.db2.gz KGPKTIRAAINPIR-RYUDHWBXSA-N 2 2 296.415 -0.360 20 0 CBADLP C[NH+]1CC[C@@H](CC(=O)N[C@H]2C[N@H+](CC(N)=O)CC2(C)C)C1 ZINC000977452048 616269545 /nfs/dbraw/zinc/26/95/45/616269545.db2.gz KGPKTIRAAINPIR-RYUDHWBXSA-N 2 2 296.415 -0.360 20 0 CBADLP C[NH+]1CC[C@@H](CC(=O)N[C@H]2C[N@@H+](CC(N)=O)CC2(C)C)C1 ZINC000977452048 616269546 /nfs/dbraw/zinc/26/95/46/616269546.db2.gz KGPKTIRAAINPIR-RYUDHWBXSA-N 2 2 296.415 -0.360 20 0 CBADLP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[NH+](CC(N)=O)CC2(C)C)C1 ZINC000977599324 616379214 /nfs/dbraw/zinc/37/92/14/616379214.db2.gz LWPMEGJCCFOPAX-QWRGUYRKSA-N 2 2 282.388 -0.750 20 0 CBADLP C[N@H+]1CC[C@H](C(=O)N[C@H]2C[NH+](CC(N)=O)CC2(C)C)C1 ZINC000977599324 616379216 /nfs/dbraw/zinc/37/92/16/616379216.db2.gz LWPMEGJCCFOPAX-QWRGUYRKSA-N 2 2 282.388 -0.750 20 0 CBADLP C[NH+]1CC[C@H](C(=O)N[C@H]2C[N@H+](CC(N)=O)CC2(C)C)C1 ZINC000977599324 616379219 /nfs/dbraw/zinc/37/92/19/616379219.db2.gz LWPMEGJCCFOPAX-QWRGUYRKSA-N 2 2 282.388 -0.750 20 0 CBADLP C[NH+]1CC[C@H](C(=O)N[C@H]2C[N@@H+](CC(N)=O)CC2(C)C)C1 ZINC000977599324 616379223 /nfs/dbraw/zinc/37/92/23/616379223.db2.gz LWPMEGJCCFOPAX-QWRGUYRKSA-N 2 2 282.388 -0.750 20 0 CBADLP CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000970745133 616595665 /nfs/dbraw/zinc/59/56/65/616595665.db2.gz JLYRWEXQECKSMW-LLVKDONJSA-N 2 2 294.399 -0.735 20 0 CBADLP CNC(=O)C[NH+]1CC([C@@H](C)NC(=O)C2CC[NH+](C)CC2)C1 ZINC000970361418 616595908 /nfs/dbraw/zinc/59/59/08/616595908.db2.gz NSGLVEYHOOYYAX-LLVKDONJSA-N 2 2 296.415 -0.489 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000968648845 616610411 /nfs/dbraw/zinc/61/04/11/616610411.db2.gz XRSSUBAHLSKIRR-OLZOCXBDSA-N 2 2 296.415 -0.345 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000968648845 616610412 /nfs/dbraw/zinc/61/04/12/616610412.db2.gz XRSSUBAHLSKIRR-OLZOCXBDSA-N 2 2 296.415 -0.345 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000968648844 616611591 /nfs/dbraw/zinc/61/15/91/616611591.db2.gz XRSSUBAHLSKIRR-CHWSQXEVSA-N 2 2 296.415 -0.345 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000968648844 616611592 /nfs/dbraw/zinc/61/15/92/616611592.db2.gz XRSSUBAHLSKIRR-CHWSQXEVSA-N 2 2 296.415 -0.345 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC000948085834 616623387 /nfs/dbraw/zinc/62/33/87/616623387.db2.gz DPIUJOPDDDMJHM-NEPJUHHUSA-N 2 2 293.371 -0.402 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC000948085834 616623388 /nfs/dbraw/zinc/62/33/88/616623388.db2.gz DPIUJOPDDDMJHM-NEPJUHHUSA-N 2 2 293.371 -0.402 20 0 CBADLP CO[C@H](C)C[N@@H+]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000980893582 617061240 /nfs/dbraw/zinc/06/12/40/617061240.db2.gz NIBMMLZAEJXYPW-KGLIPLIRSA-N 2 2 299.415 -0.114 20 0 CBADLP CO[C@H](C)C[N@H+]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000980893582 617061241 /nfs/dbraw/zinc/06/12/41/617061241.db2.gz NIBMMLZAEJXYPW-KGLIPLIRSA-N 2 2 299.415 -0.114 20 0 CBADLP CO[C@H](C)C[NH+]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000980893582 617061243 /nfs/dbraw/zinc/06/12/43/617061243.db2.gz NIBMMLZAEJXYPW-KGLIPLIRSA-N 2 2 299.415 -0.114 20 0 CBADLP CO[C@H](C)C[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000980893582 617061246 /nfs/dbraw/zinc/06/12/46/617061246.db2.gz NIBMMLZAEJXYPW-KGLIPLIRSA-N 2 2 299.415 -0.114 20 0 CBADLP CN(CC1CC1)S(=O)(=O)N1CC[NH2+]CC[NH2+]CC1 ZINC000923691252 658396822 /nfs/dbraw/zinc/39/68/22/658396822.db2.gz NFWAELZXESQCKP-UHFFFAOYSA-N 2 2 276.406 -0.932 20 0 CBADLP O=C1N[C@@H](C2CC[NH+](C[C@H]3C[NH2+]CCO3)CC2)CO1 ZINC000923526772 658315463 /nfs/dbraw/zinc/31/54/63/658315463.db2.gz UKZVJJYPVKUCIT-VXGBXAGGSA-N 2 2 269.345 -0.205 20 0 CBADLP C[C@H]([NH2+]CC[C@H]1CNCCS1(=O)=O)[C@H]1CCC[NH2+]1 ZINC000925788924 658871908 /nfs/dbraw/zinc/87/19/08/658871908.db2.gz DKJJHPXEMNLEKL-SDDRHHMPSA-N 2 2 275.418 -0.507 20 0 CBADLP C[C@H]([NH2+]CC[C@@H]1CNCCS1(=O)=O)[C@H]1CCC[NH2+]1 ZINC000925788923 658872008 /nfs/dbraw/zinc/87/20/08/658872008.db2.gz DKJJHPXEMNLEKL-QJPTWQEYSA-N 2 2 275.418 -0.507 20 0 CBADLP C[C@@H]([NH2+]CC[C@@H]1CNCCS1(=O)=O)[C@H]1CCC[NH2+]1 ZINC000925788922 658872340 /nfs/dbraw/zinc/87/23/40/658872340.db2.gz DKJJHPXEMNLEKL-IJLUTSLNSA-N 2 2 275.418 -0.507 20 0 CBADLP C[C@H]([NH2+]CC[C@H]1CNCCS1(=O)=O)[C@@H]1CCC[NH2+]1 ZINC000925788925 658872353 /nfs/dbraw/zinc/87/23/53/658872353.db2.gz DKJJHPXEMNLEKL-SRVKXCTJSA-N 2 2 275.418 -0.507 20 0 CBADLP CC1(C)[NH2+]CC[C@H]1[NH2+]CC[C@@H]1CNCCS1(=O)=O ZINC000925787396 658872360 /nfs/dbraw/zinc/87/23/60/658872360.db2.gz BBIPYRVZTKCSJU-GHMZBOCLSA-N 2 2 275.418 -0.507 20 0 CBADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC[C@@H]1CNCCS1(=O)=O ZINC000925788113 658872440 /nfs/dbraw/zinc/87/24/40/658872440.db2.gz FZNSKIJWIMCOLN-UTUOFQBUSA-N 2 2 275.418 -0.649 20 0 CBADLP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CC[C@@H]([NH2+]CCO)C1 ZINC000969136646 658953621 /nfs/dbraw/zinc/95/36/21/658953621.db2.gz XVLGZAKNDQLBCV-VXGBXAGGSA-N 2 2 278.356 -0.372 20 0 CBADLP NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000969137921 658954921 /nfs/dbraw/zinc/95/49/21/658954921.db2.gz GUBOZKXHHPUSCU-WDEREUQCSA-N 2 2 291.355 -0.879 20 0 CBADLP Cc1[nH+]ccn1CCNC(=O)C(=O)NC[C@H]1CC[N@H+]1C ZINC000929864391 659182746 /nfs/dbraw/zinc/18/27/46/659182746.db2.gz BGPKAEASSQSRLL-LLVKDONJSA-N 2 2 279.344 -0.872 20 0 CBADLP Cc1[nH+]ccn1CCNC(=O)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000929864391 659182747 /nfs/dbraw/zinc/18/27/47/659182747.db2.gz BGPKAEASSQSRLL-LLVKDONJSA-N 2 2 279.344 -0.872 20 0 CBADLP C[C@H](O)[C@@H](O)C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000931065646 659380238 /nfs/dbraw/zinc/38/02/38/659380238.db2.gz CXCSYOSIKHVROB-DRZSPHRISA-N 2 2 258.362 -0.741 20 0 CBADLP C[C@H](O)[C@@H](O)C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000931065646 659380245 /nfs/dbraw/zinc/38/02/45/659380245.db2.gz CXCSYOSIKHVROB-DRZSPHRISA-N 2 2 258.362 -0.741 20 0 CBADLP CC(=O)NCCCCC[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000931489144 659469764 /nfs/dbraw/zinc/46/97/64/659469764.db2.gz YPJLGWUBLDBWKY-UHFFFAOYSA-N 2 2 298.431 -0.001 20 0 CBADLP CC(=O)NCCCCC[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000931489144 659469781 /nfs/dbraw/zinc/46/97/81/659469781.db2.gz YPJLGWUBLDBWKY-UHFFFAOYSA-N 2 2 298.431 -0.001 20 0 CBADLP C[NH+](C)CC1(O)CC[NH+](CC(=O)Nc2cccnn2)CC1 ZINC000931479141 659471738 /nfs/dbraw/zinc/47/17/38/659471738.db2.gz LJLKWAMOPDZCRW-UHFFFAOYSA-N 2 2 293.371 -0.196 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000050247994 656020908 /nfs/dbraw/zinc/02/09/08/656020908.db2.gz AGWQSCVGLUDHSG-LLVKDONJSA-N 2 2 270.377 -0.748 20 0 CBADLP CCCNC(=O)CN(C)C(=O)C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050247994 656020909 /nfs/dbraw/zinc/02/09/09/656020909.db2.gz AGWQSCVGLUDHSG-LLVKDONJSA-N 2 2 270.377 -0.748 20 0 CBADLP C[C@H]1CN(C(=O)c2n[nH]c3c2C[NH2+]CC3)C[C@H](C)[NH2+]1 ZINC000188185586 656096369 /nfs/dbraw/zinc/09/63/69/656096369.db2.gz ROFKMEVEYDOYNA-IUCAKERBSA-N 2 2 263.345 -0.122 20 0 CBADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)NCCC[NH+]1CCOCC1 ZINC000328355978 656148589 /nfs/dbraw/zinc/14/85/89/656148589.db2.gz OEOGVKDZIAHHOG-NEPJUHHUSA-N 2 2 271.361 -0.798 20 0 CBADLP C[C@@]1(C[N@@H+]2CC[C@@H](NS(C)(=O)=O)C2)CCC[NH2+]C1 ZINC000703019794 656182530 /nfs/dbraw/zinc/18/25/30/656182530.db2.gz LMLZPWFXDLHCFL-VXGBXAGGSA-N 2 2 275.418 0.000 20 0 CBADLP C[C@@]1(C[N@H+]2CC[C@@H](NS(C)(=O)=O)C2)CCC[NH2+]C1 ZINC000703019794 656182532 /nfs/dbraw/zinc/18/25/32/656182532.db2.gz LMLZPWFXDLHCFL-VXGBXAGGSA-N 2 2 275.418 0.000 20 0 CBADLP [NH3+]C[C@@H]1C[N@H+](CCn2cnnn2)C[C@H]1C(F)(F)F ZINC000711905002 656209901 /nfs/dbraw/zinc/20/99/01/656209901.db2.gz YSXPLNGZFYYOKG-HTQZYQBOSA-N 2 2 264.255 -0.258 20 0 CBADLP [NH3+]C[C@@H]1C[N@@H+](CCn2cnnn2)C[C@H]1C(F)(F)F ZINC000711905002 656209904 /nfs/dbraw/zinc/20/99/04/656209904.db2.gz YSXPLNGZFYYOKG-HTQZYQBOSA-N 2 2 264.255 -0.258 20 0 CBADLP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CC[NH+](CCO)CC2)C1 ZINC000713009608 656211365 /nfs/dbraw/zinc/21/13/65/656211365.db2.gz HVPLVTKLQMPOSE-DMDPSCGWSA-N 2 2 253.346 -0.750 20 0 CBADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000713352035 656212372 /nfs/dbraw/zinc/21/23/72/656212372.db2.gz NNUJQJLBAACLPF-OPDFLTKYSA-N 2 2 267.373 -0.049 20 0 CBADLP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC000834746214 656242976 /nfs/dbraw/zinc/24/29/76/656242976.db2.gz BLHRJZRLUSKYQP-IUCAKERBSA-N 2 2 281.335 -0.173 20 0 CBADLP C[C@H](C(=O)N[C@]12CCC[C@H]1[NH2+]CC2)N1CC[NH2+]CC1=O ZINC000877386024 656246952 /nfs/dbraw/zinc/24/69/52/656246952.db2.gz PBDXLXAUAYEOMM-GYSYKLTISA-N 2 2 280.372 -0.793 20 0 CBADLP C[C@H]1CC(=O)NCC[N@@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000878317117 656250981 /nfs/dbraw/zinc/25/09/81/656250981.db2.gz NFKMDVUJVLHXLP-NSHDSACASA-N 2 2 282.388 -0.593 20 0 CBADLP C[C@H]1CC(=O)NCC[N@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000878317117 656250985 /nfs/dbraw/zinc/25/09/85/656250985.db2.gz NFKMDVUJVLHXLP-NSHDSACASA-N 2 2 282.388 -0.593 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000884638678 656253657 /nfs/dbraw/zinc/25/36/57/656253657.db2.gz FUTKCFFPEIGJBQ-GMTAPVOTSA-N 2 2 279.344 -0.664 20 0 CBADLP Cc1cc(N)nc(N(C)C[C@@H](O)C[NH+]2CCOCC2)[nH+]1 ZINC000892856161 656273728 /nfs/dbraw/zinc/27/37/28/656273728.db2.gz FPWYAQOZWGSNKI-LLVKDONJSA-N 2 2 281.360 -0.503 20 0 CBADLP CON(C)C(=O)C[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000895045655 656278218 /nfs/dbraw/zinc/27/82/18/656278218.db2.gz RFDWTVICBRMHRO-UHFFFAOYSA-N 2 2 273.377 -0.169 20 0 CBADLP CNS(=O)(=O)[C@@H]1CC[N@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000904329455 656325512 /nfs/dbraw/zinc/32/55/12/656325512.db2.gz ZDFWHVMBAQCHQI-VXGBXAGGSA-N 2 2 275.418 0.000 20 0 CBADLP CNS(=O)(=O)[C@@H]1CC[N@@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000904329455 656325515 /nfs/dbraw/zinc/32/55/15/656325515.db2.gz ZDFWHVMBAQCHQI-VXGBXAGGSA-N 2 2 275.418 0.000 20 0 CBADLP c1nnn([C@@H]2CCC[NH2+]C2)c1C[NH2+][C@H]1CNOC1 ZINC000904423592 656326702 /nfs/dbraw/zinc/32/67/02/656326702.db2.gz CUJUHYVTEIFGSA-VHSXEESVSA-N 2 2 252.322 -0.804 20 0 CBADLP c1nnn([C@H]2CCC[NH2+]C2)c1C[NH2+][C@@H]1CNOC1 ZINC000904423593 656327199 /nfs/dbraw/zinc/32/71/99/656327199.db2.gz CUJUHYVTEIFGSA-ZJUUUORDSA-N 2 2 252.322 -0.804 20 0 CBADLP O=S(=O)(CCC[NH+]1CCOCC1)N[C@H]1CCC[NH2+]C1 ZINC000905330687 656349347 /nfs/dbraw/zinc/34/93/47/656349347.db2.gz WDEDYMNMBNHXLB-LBPRGKRZSA-N 2 2 291.417 -0.620 20 0 CBADLP CC(C)[C@H]([NH3+])CNS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000905329721 656349540 /nfs/dbraw/zinc/34/95/40/656349540.db2.gz MOIATSZASSZKDA-GFCCVEGCSA-N 2 2 293.433 -0.389 20 0 CBADLP O=S(=O)(CCC[NH+]1CCOCC1)NCC[NH2+]C1CC1 ZINC000905330715 656349617 /nfs/dbraw/zinc/34/96/17/656349617.db2.gz WMSUBGFHANRCGT-UHFFFAOYSA-N 2 2 291.417 -0.620 20 0 CBADLP CCO[C@H](C[NH2+]C[C@@H](O)C1(O)CCC1)C[NH+](C)C ZINC000905577007 656362453 /nfs/dbraw/zinc/36/24/53/656362453.db2.gz SQTPYLDDYQHNCV-VXGBXAGGSA-N 2 2 260.378 -0.181 20 0 CBADLP C[N@H+](C[C@H](O)C[NH2+]CCO[C@@H]1CCOC1)C1CC1 ZINC000905610327 656363780 /nfs/dbraw/zinc/36/37/80/656363780.db2.gz RTFZYEPVPKTUCF-CHWSQXEVSA-N 2 2 258.362 -0.163 20 0 CBADLP C[N@@H+](C[C@H](O)C[NH2+]CCO[C@@H]1CCOC1)C1CC1 ZINC000905610327 656363783 /nfs/dbraw/zinc/36/37/83/656363783.db2.gz RTFZYEPVPKTUCF-CHWSQXEVSA-N 2 2 258.362 -0.163 20 0 CBADLP C[NH+]1CCN(c2ncc(C[NH2+]C3CC([NH3+])C3)cn2)CC1 ZINC000906509231 656389579 /nfs/dbraw/zinc/38/95/79/656389579.db2.gz BKLSMDUUGNNCKH-UHFFFAOYSA-N 3 2 276.388 -0.192 20 0 CBADLP CN(C(=O)CCC(N)=O)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000906654591 656395499 /nfs/dbraw/zinc/39/54/99/656395499.db2.gz KNTNUHGSTRAKLQ-ZDUSSCGKSA-N 2 2 296.415 -0.121 20 0 CBADLP CN(C(=O)CCC(N)=O)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000906654591 656395505 /nfs/dbraw/zinc/39/55/05/656395505.db2.gz KNTNUHGSTRAKLQ-ZDUSSCGKSA-N 2 2 296.415 -0.121 20 0 CBADLP C[C@H]([NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC1(C)C)C(N)=O ZINC000996354924 656408435 /nfs/dbraw/zinc/40/84/35/656408435.db2.gz JLVZFXKPMPPBAI-GXSJLCMTSA-N 2 2 293.371 -0.347 20 0 CBADLP C[C@@H]([NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC1(C)C)C(N)=O ZINC000996714315 656454681 /nfs/dbraw/zinc/45/46/81/656454681.db2.gz KLSUFANIRMYIEO-GHMZBOCLSA-N 2 2 293.371 -0.417 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC([NH2+][C@H](C)C(N)=O)CC1 ZINC000997211851 656469009 /nfs/dbraw/zinc/46/90/09/656469009.db2.gz RVPCPUQVVQNPTL-SNVBAGLBSA-N 2 2 293.371 -0.285 20 0 CBADLP CC[N@H+](CCO)CCNC(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000907440314 656506675 /nfs/dbraw/zinc/50/66/75/656506675.db2.gz GGNGCHWVLSAWFI-WYMLVPIESA-N 2 2 299.415 -0.305 20 0 CBADLP CC[N@@H+](CCO)CCNC(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000907440314 656506690 /nfs/dbraw/zinc/50/66/90/656506690.db2.gz GGNGCHWVLSAWFI-WYMLVPIESA-N 2 2 299.415 -0.305 20 0 CBADLP C[C@@H]1CN(C(=O)C2CN(C)CC[NH+](C)C2)CC[N@@H+]1CCO ZINC000907542300 656522621 /nfs/dbraw/zinc/52/26/21/656522621.db2.gz BPUMRGKBCIGYCB-CYBMUJFWSA-N 2 2 298.431 -0.995 20 0 CBADLP C[C@@H]1CN(C(=O)C2CN(C)CC[NH+](C)C2)CC[N@H+]1CCO ZINC000907542300 656522669 /nfs/dbraw/zinc/52/26/69/656522669.db2.gz BPUMRGKBCIGYCB-CYBMUJFWSA-N 2 2 298.431 -0.995 20 0 CBADLP C[C@@H]1CN(C(=O)C2CN(C)CC[N@H+](C)C2)CC[NH+]1CCO ZINC000907542300 656522686 /nfs/dbraw/zinc/52/26/86/656522686.db2.gz BPUMRGKBCIGYCB-CYBMUJFWSA-N 2 2 298.431 -0.995 20 0 CBADLP C[C@@H]1CN(C(=O)C2CN(C)CC[N@@H+](C)C2)CC[NH+]1CCO ZINC000907542300 656522693 /nfs/dbraw/zinc/52/26/93/656522693.db2.gz BPUMRGKBCIGYCB-CYBMUJFWSA-N 2 2 298.431 -0.995 20 0 CBADLP O=C(CNc1cccc[nH+]1)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000908028588 656625582 /nfs/dbraw/zinc/62/55/82/656625582.db2.gz BGHVIFAWQWOYKB-ZDUSSCGKSA-N 2 2 289.383 0.000 20 0 CBADLP O=C(CNc1cccc[nH+]1)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000908028588 656625589 /nfs/dbraw/zinc/62/55/89/656625589.db2.gz BGHVIFAWQWOYKB-ZDUSSCGKSA-N 2 2 289.383 0.000 20 0 CBADLP C[C@H](O)C[NH2+]C1CC(N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC000999690482 656645741 /nfs/dbraw/zinc/64/57/41/656645741.db2.gz ZECUPKIDEXMPED-UNXYVOJBSA-N 2 2 280.372 -0.078 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C1CC([NH2+]CC(N)=O)C1 ZINC000999745680 656647210 /nfs/dbraw/zinc/64/72/10/656647210.db2.gz AOAWKHKTKACKRA-UHFFFAOYSA-N 2 2 279.344 -0.675 20 0 CBADLP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000908134092 656653529 /nfs/dbraw/zinc/65/35/29/656653529.db2.gz MYSWJPWYRQEDLP-ZKYQVNSYSA-N 2 2 278.356 -0.231 20 0 CBADLP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000908134092 656653533 /nfs/dbraw/zinc/65/35/33/656653533.db2.gz MYSWJPWYRQEDLP-ZKYQVNSYSA-N 2 2 278.356 -0.231 20 0 CBADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001000319625 656709812 /nfs/dbraw/zinc/70/98/12/656709812.db2.gz COHJGGAFESKWRD-CMPLNLGQSA-N 2 2 291.355 -0.579 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@]2(C)C[C@@H](O)C[NH+]2C)C[C@H](C)[N@H+]1C ZINC000908435062 656727781 /nfs/dbraw/zinc/72/77/81/656727781.db2.gz APGJIWOGVLVRBH-GFQSEFKGSA-N 2 2 269.389 -0.008 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@]2(C)C[C@@H](O)C[NH+]2C)C[C@H](C)[N@@H+]1C ZINC000908435062 656727792 /nfs/dbraw/zinc/72/77/92/656727792.db2.gz APGJIWOGVLVRBH-GFQSEFKGSA-N 2 2 269.389 -0.008 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)C[C@H](C)[NH+]1C ZINC000908435062 656727812 /nfs/dbraw/zinc/72/78/12/656727812.db2.gz APGJIWOGVLVRBH-GFQSEFKGSA-N 2 2 269.389 -0.008 20 0 CBADLP C[C@@H]1CN(C(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)C[C@H](C)[NH+]1C ZINC000908435062 656727827 /nfs/dbraw/zinc/72/78/27/656727827.db2.gz APGJIWOGVLVRBH-GFQSEFKGSA-N 2 2 269.389 -0.008 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N1CCC[C@H]([NH2+]CCO)C1 ZINC001000538863 656734628 /nfs/dbraw/zinc/73/46/28/656734628.db2.gz CNMPLHLOHYWGKU-JTQLQIEISA-N 2 2 252.318 -0.475 20 0 CBADLP C[C@H](O)C[NH2+][C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001000558771 656735179 /nfs/dbraw/zinc/73/51/79/656735179.db2.gz GSQJECJSWULEIG-QWRGUYRKSA-N 2 2 266.345 -0.086 20 0 CBADLP C/C(=C/C(=O)NOCC[NH+](C)C)C[NH+]1CCOCC1 ZINC000908527512 656739872 /nfs/dbraw/zinc/73/98/72/656739872.db2.gz HVWYPEFLKIOQCK-BENRWUELSA-N 2 2 271.361 -0.126 20 0 CBADLP C[C@@H]([NH2+][C@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1)C(N)=O ZINC001000691831 656759820 /nfs/dbraw/zinc/75/98/20/656759820.db2.gz APUSQEHMWHIOJC-MNOVXSKESA-N 2 2 293.371 -0.583 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001000793046 656763263 /nfs/dbraw/zinc/76/32/63/656763263.db2.gz CROSYVIWAIOBIJ-QWRGUYRKSA-N 2 2 293.371 -0.285 20 0 CBADLP C[C@@H]1CN(C(=O)[C@]2(C)C[C@H](O)C[NH+]2C)C[C@H](C)[N@H+]1CCO ZINC000909032556 656775208 /nfs/dbraw/zinc/77/52/08/656775208.db2.gz JFRVYYHOUYNLKT-XFMPKHEZSA-N 2 2 299.415 -0.645 20 0 CBADLP C[C@@H]1CN(C(=O)[C@]2(C)C[C@H](O)C[NH+]2C)C[C@H](C)[N@@H+]1CCO ZINC000909032556 656775212 /nfs/dbraw/zinc/77/52/12/656775212.db2.gz JFRVYYHOUYNLKT-XFMPKHEZSA-N 2 2 299.415 -0.645 20 0 CBADLP C[C@@H]1CN(C(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)C[C@H](C)[NH+]1CCO ZINC000909032556 656775217 /nfs/dbraw/zinc/77/52/17/656775217.db2.gz JFRVYYHOUYNLKT-XFMPKHEZSA-N 2 2 299.415 -0.645 20 0 CBADLP C[C@@H]1CN(C(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)C[C@H](C)[NH+]1CCO ZINC000909032556 656775222 /nfs/dbraw/zinc/77/52/22/656775222.db2.gz JFRVYYHOUYNLKT-XFMPKHEZSA-N 2 2 299.415 -0.645 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CCC[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001001057055 656793192 /nfs/dbraw/zinc/79/31/92/656793192.db2.gz TYDRSVYJYCALTI-VXGBXAGGSA-N 2 2 291.355 -0.648 20 0 CBADLP Cn1c[nH+]c(CCNC(=O)C[C@]2(O)CCC[N@H+](C)C2)c1 ZINC000909855111 656833278 /nfs/dbraw/zinc/83/32/78/656833278.db2.gz BVETXMHWYNHUQS-CQSZACIVSA-N 2 2 280.372 -0.074 20 0 CBADLP Cn1c[nH+]c(CCNC(=O)C[C@]2(O)CCC[N@@H+](C)C2)c1 ZINC000909855111 656833281 /nfs/dbraw/zinc/83/32/81/656833281.db2.gz BVETXMHWYNHUQS-CQSZACIVSA-N 2 2 280.372 -0.074 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)NC2CC[NH+](CCF)CC2)C1 ZINC001002531037 656836274 /nfs/dbraw/zinc/83/62/74/656836274.db2.gz CFWINIUJFGLDJK-LBPRGKRZSA-N 2 2 273.352 -0.133 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)NC2CC[NH+](CCF)CC2)C1 ZINC001002531037 656836275 /nfs/dbraw/zinc/83/62/75/656836275.db2.gz CFWINIUJFGLDJK-LBPRGKRZSA-N 2 2 273.352 -0.133 20 0 CBADLP C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC000910929811 656904221 /nfs/dbraw/zinc/90/42/21/656904221.db2.gz ZGSKCJCPSKGBSZ-WDEREUQCSA-N 2 2 266.345 -0.134 20 0 CBADLP C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC000910929811 656904240 /nfs/dbraw/zinc/90/42/40/656904240.db2.gz ZGSKCJCPSKGBSZ-WDEREUQCSA-N 2 2 266.345 -0.134 20 0 CBADLP [NH3+][C@H]1CCCN(C(=O)C(=O)NCCCCn2cc[nH+]c2)C1 ZINC000910974275 656916730 /nfs/dbraw/zinc/91/67/30/656916730.db2.gz ZECPKLIJMGTWOK-LBPRGKRZSA-N 2 2 293.371 -0.271 20 0 CBADLP [NH3+]C[C@]12CC[C@H]1CCN2C(=O)C(=O)NCCn1cc[nH+]c1 ZINC000910986931 656922122 /nfs/dbraw/zinc/92/21/22/656922122.db2.gz LZGIHDXDUBGQCS-SMDDNHRTSA-N 2 2 291.355 -0.661 20 0 CBADLP Cn1c[nH+]c(CCNC(=O)C(=O)N2C[C@H]([NH3+])C(C)(C)C2)c1 ZINC000911014074 656930224 /nfs/dbraw/zinc/93/02/24/656930224.db2.gz HVRAHUCRZAAANY-NSHDSACASA-N 2 2 293.371 -0.726 20 0 CBADLP Cn1c[nH+]c(CCNC(=O)C(=O)N[C@H]2C[NH2+]CC2(C)C)c1 ZINC000911016110 656930869 /nfs/dbraw/zinc/93/08/69/656930869.db2.gz VPYZAECSXKAOLC-NSHDSACASA-N 2 2 293.371 -0.807 20 0 CBADLP CN(C)C(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001006921494 656980067 /nfs/dbraw/zinc/98/00/67/656980067.db2.gz ZRUKJTGANQOHKD-OLZOCXBDSA-N 2 2 296.415 -0.251 20 0 CBADLP CN(C)C(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001006921494 656980076 /nfs/dbraw/zinc/98/00/76/656980076.db2.gz ZRUKJTGANQOHKD-OLZOCXBDSA-N 2 2 296.415 -0.251 20 0 CBADLP CN(C)C(=O)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001006921494 656980089 /nfs/dbraw/zinc/98/00/89/656980089.db2.gz ZRUKJTGANQOHKD-OLZOCXBDSA-N 2 2 296.415 -0.251 20 0 CBADLP CN(C)C(=O)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001006921494 656980108 /nfs/dbraw/zinc/98/01/08/656980108.db2.gz ZRUKJTGANQOHKD-OLZOCXBDSA-N 2 2 296.415 -0.251 20 0 CBADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000911228544 656990692 /nfs/dbraw/zinc/99/06/92/656990692.db2.gz HEGGBURSAJBPIR-MNOVXSKESA-N 2 2 293.371 -0.498 20 0 CBADLP C[C@@H]1CN(C(=O)C(=O)NCCCn2cc[nH+]c2)C[C@H]1[NH3+] ZINC000911246595 656996518 /nfs/dbraw/zinc/99/65/18/656996518.db2.gz JDWNPOXHVIFLTA-GHMZBOCLSA-N 2 2 279.344 -0.805 20 0 CBADLP CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001008530619 657048060 /nfs/dbraw/zinc/04/80/60/657048060.db2.gz BEKYWKWLSFNNDU-OLZOCXBDSA-N 2 2 296.415 -0.345 20 0 CBADLP CNC(=O)C[N@H+]1CCC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001008530619 657048067 /nfs/dbraw/zinc/04/80/67/657048067.db2.gz BEKYWKWLSFNNDU-OLZOCXBDSA-N 2 2 296.415 -0.345 20 0 CBADLP CNC(=O)C[NH+]1CCC[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001008530619 657048074 /nfs/dbraw/zinc/04/80/74/657048074.db2.gz BEKYWKWLSFNNDU-OLZOCXBDSA-N 2 2 296.415 -0.345 20 0 CBADLP CNC(=O)C[NH+]1CCC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001008530619 657048083 /nfs/dbraw/zinc/04/80/83/657048083.db2.gz BEKYWKWLSFNNDU-OLZOCXBDSA-N 2 2 296.415 -0.345 20 0 CBADLP CC[NH+]1CCN(C(=O)C(=O)N[C@@H]2C[NH2+]CC2(C)C)CC1 ZINC000911519649 657065411 /nfs/dbraw/zinc/06/54/11/657065411.db2.gz CMMQBACBGSCGRY-LLVKDONJSA-N 2 2 282.388 -0.735 20 0 CBADLP NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001009211120 657068661 /nfs/dbraw/zinc/06/86/61/657068661.db2.gz ANVNQQLFVKKISV-LLVKDONJSA-N 2 2 280.372 -0.852 20 0 CBADLP NC(=O)C[N@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001009211120 657068664 /nfs/dbraw/zinc/06/86/64/657068664.db2.gz ANVNQQLFVKKISV-LLVKDONJSA-N 2 2 280.372 -0.852 20 0 CBADLP CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001009204578 657068953 /nfs/dbraw/zinc/06/89/53/657068953.db2.gz XSICVIMOTMECFJ-CHWSQXEVSA-N 2 2 296.415 -0.345 20 0 CBADLP CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001009204578 657068957 /nfs/dbraw/zinc/06/89/57/657068957.db2.gz XSICVIMOTMECFJ-CHWSQXEVSA-N 2 2 296.415 -0.345 20 0 CBADLP CNC(=O)C[NH+]1CCC[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001009204578 657068969 /nfs/dbraw/zinc/06/89/69/657068969.db2.gz XSICVIMOTMECFJ-CHWSQXEVSA-N 2 2 296.415 -0.345 20 0 CBADLP CNC(=O)C[NH+]1CCC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001009204578 657068971 /nfs/dbraw/zinc/06/89/71/657068971.db2.gz XSICVIMOTMECFJ-CHWSQXEVSA-N 2 2 296.415 -0.345 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCC[N@H+](CCO)C1 ZINC001009348742 657072084 /nfs/dbraw/zinc/07/20/84/657072084.db2.gz XGTYTWKISQLRDB-NSHDSACASA-N 2 2 266.345 -0.166 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCC[N@@H+](CCO)C1 ZINC001009348742 657072087 /nfs/dbraw/zinc/07/20/87/657072087.db2.gz XGTYTWKISQLRDB-NSHDSACASA-N 2 2 266.345 -0.166 20 0 CBADLP CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001009511415 657076321 /nfs/dbraw/zinc/07/63/21/657076321.db2.gz WKVAPJOUCBKVHW-RYUDHWBXSA-N 2 2 282.388 -0.735 20 0 CBADLP CNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001009511415 657076325 /nfs/dbraw/zinc/07/63/25/657076325.db2.gz WKVAPJOUCBKVHW-RYUDHWBXSA-N 2 2 282.388 -0.735 20 0 CBADLP CNC(=O)C[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001009511415 657076331 /nfs/dbraw/zinc/07/63/31/657076331.db2.gz WKVAPJOUCBKVHW-RYUDHWBXSA-N 2 2 282.388 -0.735 20 0 CBADLP CNC(=O)C[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001009511415 657076337 /nfs/dbraw/zinc/07/63/37/657076337.db2.gz WKVAPJOUCBKVHW-RYUDHWBXSA-N 2 2 282.388 -0.735 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001009518719 657076653 /nfs/dbraw/zinc/07/66/53/657076653.db2.gz STANCBFGZFZTGA-VXGBXAGGSA-N 2 2 282.388 -0.463 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001009518719 657076656 /nfs/dbraw/zinc/07/66/56/657076656.db2.gz STANCBFGZFZTGA-VXGBXAGGSA-N 2 2 282.388 -0.463 20 0 CBADLP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CCC[NH+](CC(N)=O)C2)C1 ZINC001009513497 657077489 /nfs/dbraw/zinc/07/74/89/657077489.db2.gz GRUVTPJOFVHAGX-MNOVXSKESA-N 2 2 268.361 -0.996 20 0 CBADLP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCC[NH+](CC(N)=O)C2)C1 ZINC001009513497 657077498 /nfs/dbraw/zinc/07/74/98/657077498.db2.gz GRUVTPJOFVHAGX-MNOVXSKESA-N 2 2 268.361 -0.996 20 0 CBADLP C[NH+]1CC[C@@H](C(=O)N[C@H]2CCC[N@H+](CC(N)=O)C2)C1 ZINC001009513497 657077507 /nfs/dbraw/zinc/07/75/07/657077507.db2.gz GRUVTPJOFVHAGX-MNOVXSKESA-N 2 2 268.361 -0.996 20 0 CBADLP C[NH+]1CC[C@@H](C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)C2)C1 ZINC001009513497 657077513 /nfs/dbraw/zinc/07/75/13/657077513.db2.gz GRUVTPJOFVHAGX-MNOVXSKESA-N 2 2 268.361 -0.996 20 0 CBADLP CC[NH2+]CCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000911749922 657121116 /nfs/dbraw/zinc/12/11/16/657121116.db2.gz AOUCKDFPJUSVQY-OLZOCXBDSA-N 2 2 285.388 -0.408 20 0 CBADLP O=C(NCC[NH2+]C1CC1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000911753703 657123218 /nfs/dbraw/zinc/12/32/18/657123218.db2.gz FDFDYXJTYWXPHV-KGLIPLIRSA-N 2 2 297.399 -0.266 20 0 CBADLP CC(C)(C[NH3+])NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000911761564 657124196 /nfs/dbraw/zinc/12/41/96/657124196.db2.gz DCIOVXXUHFPTIQ-NEPJUHHUSA-N 2 2 285.388 -0.280 20 0 CBADLP C[C@H]([NH3+])[C@@H]1CN(C(=O)C[C@H]([NH3+])C(F)F)CCO1 ZINC000911885616 657158056 /nfs/dbraw/zinc/15/80/56/657158056.db2.gz YNSMDPZWRHVIAN-FXQIFTODSA-N 2 2 251.277 -0.457 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001010368471 657163457 /nfs/dbraw/zinc/16/34/57/657163457.db2.gz DSUIDFGHYOOOBU-GHMZBOCLSA-N 2 2 268.361 -0.983 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001010368471 657163463 /nfs/dbraw/zinc/16/34/63/657163463.db2.gz DSUIDFGHYOOOBU-GHMZBOCLSA-N 2 2 268.361 -0.983 20 0 CBADLP CNC(=O)C[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001010368471 657163471 /nfs/dbraw/zinc/16/34/71/657163471.db2.gz DSUIDFGHYOOOBU-GHMZBOCLSA-N 2 2 268.361 -0.983 20 0 CBADLP CNC(=O)C[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001010368471 657163474 /nfs/dbraw/zinc/16/34/74/657163474.db2.gz DSUIDFGHYOOOBU-GHMZBOCLSA-N 2 2 268.361 -0.983 20 0 CBADLP CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001010370376 657164051 /nfs/dbraw/zinc/16/40/51/657164051.db2.gz VYSQSMYAJQHISO-VXGBXAGGSA-N 2 2 282.388 -0.641 20 0 CBADLP CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001010370376 657164057 /nfs/dbraw/zinc/16/40/57/657164057.db2.gz VYSQSMYAJQHISO-VXGBXAGGSA-N 2 2 282.388 -0.641 20 0 CBADLP CN(C)C(=O)C[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001010370376 657164061 /nfs/dbraw/zinc/16/40/61/657164061.db2.gz VYSQSMYAJQHISO-VXGBXAGGSA-N 2 2 282.388 -0.641 20 0 CBADLP CN(C)C(=O)C[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001010370376 657164066 /nfs/dbraw/zinc/16/40/66/657164066.db2.gz VYSQSMYAJQHISO-VXGBXAGGSA-N 2 2 282.388 -0.641 20 0 CBADLP O=C(CNc1cccc[nH+]1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000912053576 657188266 /nfs/dbraw/zinc/18/82/66/657188266.db2.gz AQKXHPSYRBKQLU-NWDGAFQWSA-N 2 2 276.340 -0.229 20 0 CBADLP O=C(CNc1cccc[nH+]1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000912053576 657188268 /nfs/dbraw/zinc/18/82/68/657188268.db2.gz AQKXHPSYRBKQLU-NWDGAFQWSA-N 2 2 276.340 -0.229 20 0 CBADLP CN1C(=O)CCC[C@@H]1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000912388412 657249123 /nfs/dbraw/zinc/24/91/23/657249123.db2.gz WGLAUHQJMUSFCX-CYBMUJFWSA-N 2 2 298.431 -0.003 20 0 CBADLP CN1C(=O)CCC[C@@H]1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000912388412 657249126 /nfs/dbraw/zinc/24/91/26/657249126.db2.gz WGLAUHQJMUSFCX-CYBMUJFWSA-N 2 2 298.431 -0.003 20 0 CBADLP CN(CC[N@H+](C)CCO)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000912598863 657287814 /nfs/dbraw/zinc/28/78/14/657287814.db2.gz IMJISDUPNRRIQZ-GFCCVEGCSA-N 2 2 280.372 -0.172 20 0 CBADLP CN(CC[N@@H+](C)CCO)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000912598863 657287819 /nfs/dbraw/zinc/28/78/19/657287819.db2.gz IMJISDUPNRRIQZ-GFCCVEGCSA-N 2 2 280.372 -0.172 20 0 CBADLP CN(CC[N@H+](C)CCO)C(=O)CCc1[nH]cc[nH+]1 ZINC000912603742 657292723 /nfs/dbraw/zinc/29/27/23/657292723.db2.gz AWJHURPCEFAYOC-UHFFFAOYSA-N 2 2 254.334 -0.275 20 0 CBADLP CN(CC[N@@H+](C)CCO)C(=O)CCc1[nH]cc[nH+]1 ZINC000912603742 657292728 /nfs/dbraw/zinc/29/27/28/657292728.db2.gz AWJHURPCEFAYOC-UHFFFAOYSA-N 2 2 254.334 -0.275 20 0 CBADLP C[NH+](C)CCn1nccc1C(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000912736830 657322497 /nfs/dbraw/zinc/32/24/97/657322497.db2.gz ZBNITZYRCABRCN-LBPRGKRZSA-N 2 2 295.387 -0.807 20 0 CBADLP C[NH+](C)CCn1nccc1C(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000912736830 657322498 /nfs/dbraw/zinc/32/24/98/657322498.db2.gz ZBNITZYRCABRCN-LBPRGKRZSA-N 2 2 295.387 -0.807 20 0 CBADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000912743108 657334813 /nfs/dbraw/zinc/33/48/13/657334813.db2.gz PGQPACAADKKHTB-JHJVBQTASA-N 2 2 269.389 -0.006 20 0 CBADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000912743108 657334816 /nfs/dbraw/zinc/33/48/16/657334816.db2.gz PGQPACAADKKHTB-JHJVBQTASA-N 2 2 269.389 -0.006 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001014401106 657354923 /nfs/dbraw/zinc/35/49/23/657354923.db2.gz UIYRBZMFZGNUIK-CHWSQXEVSA-N 2 2 296.415 -0.204 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001014401106 657354929 /nfs/dbraw/zinc/35/49/29/657354929.db2.gz UIYRBZMFZGNUIK-CHWSQXEVSA-N 2 2 296.415 -0.204 20 0 CBADLP CNC(=O)C[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001014401106 657354937 /nfs/dbraw/zinc/35/49/37/657354937.db2.gz UIYRBZMFZGNUIK-CHWSQXEVSA-N 2 2 296.415 -0.204 20 0 CBADLP CNC(=O)C[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001014401106 657354941 /nfs/dbraw/zinc/35/49/41/657354941.db2.gz UIYRBZMFZGNUIK-CHWSQXEVSA-N 2 2 296.415 -0.204 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001014401151 657355360 /nfs/dbraw/zinc/35/53/60/657355360.db2.gz UIYRBZMFZGNUIK-QWHCGFSZSA-N 2 2 296.415 -0.204 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001014401151 657355362 /nfs/dbraw/zinc/35/53/62/657355362.db2.gz UIYRBZMFZGNUIK-QWHCGFSZSA-N 2 2 296.415 -0.204 20 0 CBADLP CNC(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001014401151 657355364 /nfs/dbraw/zinc/35/53/64/657355364.db2.gz UIYRBZMFZGNUIK-QWHCGFSZSA-N 2 2 296.415 -0.204 20 0 CBADLP CNC(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001014401151 657355366 /nfs/dbraw/zinc/35/53/66/657355366.db2.gz UIYRBZMFZGNUIK-QWHCGFSZSA-N 2 2 296.415 -0.204 20 0 CBADLP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](CC(N)=O)C2)CC[N@@H+]1C ZINC001014475343 657362255 /nfs/dbraw/zinc/36/22/55/657362255.db2.gz LOYRTDBHWSOZEK-OUAUKWLOSA-N 2 2 268.361 -0.998 20 0 CBADLP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](CC(N)=O)C2)CC[N@H+]1C ZINC001014475343 657362264 /nfs/dbraw/zinc/36/22/64/657362264.db2.gz LOYRTDBHWSOZEK-OUAUKWLOSA-N 2 2 268.361 -0.998 20 0 CBADLP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)CC[NH+]1C ZINC001014475343 657362272 /nfs/dbraw/zinc/36/22/72/657362272.db2.gz LOYRTDBHWSOZEK-OUAUKWLOSA-N 2 2 268.361 -0.998 20 0 CBADLP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)CC[NH+]1C ZINC001014475343 657362281 /nfs/dbraw/zinc/36/22/81/657362281.db2.gz LOYRTDBHWSOZEK-OUAUKWLOSA-N 2 2 268.361 -0.998 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](CC(=O)NC)C2)CC[N@@H+]1C ZINC001014510079 657364272 /nfs/dbraw/zinc/36/42/72/657364272.db2.gz VINWIWVMNIFDSO-RWMBFGLXSA-N 2 2 296.415 -0.347 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](CC(=O)NC)C2)CC[N@H+]1C ZINC001014510079 657364275 /nfs/dbraw/zinc/36/42/75/657364275.db2.gz VINWIWVMNIFDSO-RWMBFGLXSA-N 2 2 296.415 -0.347 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@H+](CC(=O)NC)C2)CC[NH+]1C ZINC001014510079 657364281 /nfs/dbraw/zinc/36/42/81/657364281.db2.gz VINWIWVMNIFDSO-RWMBFGLXSA-N 2 2 296.415 -0.347 20 0 CBADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@@H+](CC(=O)NC)C2)CC[NH+]1C ZINC001014510079 657364286 /nfs/dbraw/zinc/36/42/86/657364286.db2.gz VINWIWVMNIFDSO-RWMBFGLXSA-N 2 2 296.415 -0.347 20 0 CBADLP CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001014964192 657392537 /nfs/dbraw/zinc/39/25/37/657392537.db2.gz QGBUFFTVWVRMNX-CHWSQXEVSA-N 2 2 296.415 -0.251 20 0 CBADLP CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001014964192 657392544 /nfs/dbraw/zinc/39/25/44/657392544.db2.gz QGBUFFTVWVRMNX-CHWSQXEVSA-N 2 2 296.415 -0.251 20 0 CBADLP CN(C)C(=O)C[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001014964192 657392549 /nfs/dbraw/zinc/39/25/49/657392549.db2.gz QGBUFFTVWVRMNX-CHWSQXEVSA-N 2 2 296.415 -0.251 20 0 CBADLP CN(C)C(=O)C[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001014964192 657392554 /nfs/dbraw/zinc/39/25/54/657392554.db2.gz QGBUFFTVWVRMNX-CHWSQXEVSA-N 2 2 296.415 -0.251 20 0 CBADLP C/C(=C/C(=O)NCC[N@@H+]1CC[C@@H](O)C1)C[NH+]1CCOCC1 ZINC000913172040 657393131 /nfs/dbraw/zinc/39/31/31/657393131.db2.gz TXIBKNXXBRQWTI-QLKUMGTLSA-N 2 2 297.399 -0.552 20 0 CBADLP C/C(=C/C(=O)NCC[N@H+]1CC[C@@H](O)C1)C[NH+]1CCOCC1 ZINC000913172040 657393137 /nfs/dbraw/zinc/39/31/37/657393137.db2.gz TXIBKNXXBRQWTI-QLKUMGTLSA-N 2 2 297.399 -0.552 20 0 CBADLP O=C(N[C@H]1CC[N@@H+](CCO)C1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001014989315 657395362 /nfs/dbraw/zinc/39/53/62/657395362.db2.gz GVWHENMCBJELLS-NEPJUHHUSA-N 2 2 278.356 -0.372 20 0 CBADLP O=C(N[C@H]1CC[N@H+](CCO)C1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001014989315 657395366 /nfs/dbraw/zinc/39/53/66/657395366.db2.gz GVWHENMCBJELLS-NEPJUHHUSA-N 2 2 278.356 -0.372 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001015089067 657406061 /nfs/dbraw/zinc/40/60/61/657406061.db2.gz GHHWDMKKTQPTPF-GFCCVEGCSA-N 2 2 294.399 -0.449 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001015089067 657406070 /nfs/dbraw/zinc/40/60/70/657406070.db2.gz GHHWDMKKTQPTPF-GFCCVEGCSA-N 2 2 294.399 -0.449 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001015089823 657406479 /nfs/dbraw/zinc/40/64/79/657406479.db2.gz NEEMOQOSRYOLOQ-RYUDHWBXSA-N 2 2 294.399 -0.321 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001015089823 657406484 /nfs/dbraw/zinc/40/64/84/657406484.db2.gz NEEMOQOSRYOLOQ-RYUDHWBXSA-N 2 2 294.399 -0.321 20 0 CBADLP O=C(Cn1c[nH+]c2c1CCCC2)N[C@@H]1CC[N@@H+](CCO)C1 ZINC001015305462 657430638 /nfs/dbraw/zinc/43/06/38/657430638.db2.gz DJEAVDDKDMDPAO-GFCCVEGCSA-N 2 2 292.383 -0.055 20 0 CBADLP O=C(Cn1c[nH+]c2c1CCCC2)N[C@@H]1CC[N@H+](CCO)C1 ZINC001015305462 657430639 /nfs/dbraw/zinc/43/06/39/657430639.db2.gz DJEAVDDKDMDPAO-GFCCVEGCSA-N 2 2 292.383 -0.055 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001015296167 657431035 /nfs/dbraw/zinc/43/10/35/657431035.db2.gz VPXGQAZOSYCWBC-RYUDHWBXSA-N 2 2 291.355 -0.729 20 0 CBADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001015296167 657431041 /nfs/dbraw/zinc/43/10/41/657431041.db2.gz VPXGQAZOSYCWBC-RYUDHWBXSA-N 2 2 291.355 -0.729 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001015649105 657506376 /nfs/dbraw/zinc/50/63/76/657506376.db2.gz OSZBJDRSRDLALU-GFCCVEGCSA-N 2 2 282.388 -0.735 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001015649105 657506382 /nfs/dbraw/zinc/50/63/82/657506382.db2.gz OSZBJDRSRDLALU-GFCCVEGCSA-N 2 2 282.388 -0.735 20 0 CBADLP C[N@@H+]1CCN(C(=O)C2CC[NH+](C3CC3)CC2)C[C@H]1CO ZINC000913543978 657518669 /nfs/dbraw/zinc/51/86/69/657518669.db2.gz UNJUBCDBSKSEBI-AWEZNQCLSA-N 2 2 281.400 -0.004 20 0 CBADLP C[N@H+]1CCN(C(=O)C2CC[NH+](C3CC3)CC2)C[C@H]1CO ZINC000913543978 657518677 /nfs/dbraw/zinc/51/86/77/657518677.db2.gz UNJUBCDBSKSEBI-AWEZNQCLSA-N 2 2 281.400 -0.004 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001015707168 657523721 /nfs/dbraw/zinc/52/37/21/657523721.db2.gz NDWOKIKDFJJSPW-RYUDHWBXSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001015707168 657523727 /nfs/dbraw/zinc/52/37/27/657523727.db2.gz NDWOKIKDFJJSPW-RYUDHWBXSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001015707168 657523731 /nfs/dbraw/zinc/52/37/31/657523731.db2.gz NDWOKIKDFJJSPW-RYUDHWBXSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001015707168 657523735 /nfs/dbraw/zinc/52/37/35/657523735.db2.gz NDWOKIKDFJJSPW-RYUDHWBXSA-N 2 2 296.415 -0.217 20 0 CBADLP C[N@@H+]1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1CO ZINC000913555375 657547374 /nfs/dbraw/zinc/54/73/74/657547374.db2.gz BLDVOEPISXTUNQ-ZDUSSCGKSA-N 2 2 299.415 -0.520 20 0 CBADLP C[N@H+]1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1CO ZINC000913555375 657547380 /nfs/dbraw/zinc/54/73/80/657547380.db2.gz BLDVOEPISXTUNQ-ZDUSSCGKSA-N 2 2 299.415 -0.520 20 0 CBADLP CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001015890441 657596933 /nfs/dbraw/zinc/59/69/33/657596933.db2.gz ORHNRGHAVUFRON-CYBMUJFWSA-N 2 2 296.415 -0.345 20 0 CBADLP CNC(=O)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001015890441 657596943 /nfs/dbraw/zinc/59/69/43/657596943.db2.gz ORHNRGHAVUFRON-CYBMUJFWSA-N 2 2 296.415 -0.345 20 0 CBADLP C[N@@H+]1CC[C@@H]1CNC(=O)NCCC[NH+]1CCOCC1 ZINC000913836308 657622598 /nfs/dbraw/zinc/62/25/98/657622598.db2.gz OIDWWBIOGFTBOY-GFCCVEGCSA-N 2 2 270.377 -0.288 20 0 CBADLP C[N@H+]1CC[C@@H]1CNC(=O)NCCC[NH+]1CCOCC1 ZINC000913836308 657622603 /nfs/dbraw/zinc/62/26/03/657622603.db2.gz OIDWWBIOGFTBOY-GFCCVEGCSA-N 2 2 270.377 -0.288 20 0 CBADLP CC[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001016000927 657628169 /nfs/dbraw/zinc/62/81/69/657628169.db2.gz GOKOSPCGWIILSC-JQWIXIFHSA-N 2 2 293.371 -0.583 20 0 CBADLP CC[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001016000927 657628172 /nfs/dbraw/zinc/62/81/72/657628172.db2.gz GOKOSPCGWIILSC-JQWIXIFHSA-N 2 2 293.371 -0.583 20 0 CBADLP C[C@H](CNC(=O)NC[C@@H]1CC[N@@H+]1C)[NH+]1CCOCC1 ZINC000914067526 657651610 /nfs/dbraw/zinc/65/16/10/657651610.db2.gz VEUIOXUVTCIMKW-NEPJUHHUSA-N 2 2 270.377 -0.290 20 0 CBADLP C[C@H](CNC(=O)NC[C@@H]1CC[N@H+]1C)[NH+]1CCOCC1 ZINC000914067526 657651621 /nfs/dbraw/zinc/65/16/21/657651621.db2.gz VEUIOXUVTCIMKW-NEPJUHHUSA-N 2 2 270.377 -0.290 20 0 CBADLP C[N@@H+]1CC[C@@H]1CNC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000914064319 657653001 /nfs/dbraw/zinc/65/30/01/657653001.db2.gz KKZLQFLZQLMBPS-GFCCVEGCSA-N 2 2 297.403 -0.846 20 0 CBADLP C[N@H+]1CC[C@@H]1CNC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000914064319 657653024 /nfs/dbraw/zinc/65/30/24/657653024.db2.gz KKZLQFLZQLMBPS-GFCCVEGCSA-N 2 2 297.403 -0.846 20 0 CBADLP C[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001016250137 657670227 /nfs/dbraw/zinc/67/02/27/657670227.db2.gz ANTXHMQFWBTSCD-GHMZBOCLSA-N 2 2 268.361 -0.854 20 0 CBADLP C[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001016250137 657670232 /nfs/dbraw/zinc/67/02/32/657670232.db2.gz ANTXHMQFWBTSCD-GHMZBOCLSA-N 2 2 268.361 -0.854 20 0 CBADLP CC[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001016260699 657673807 /nfs/dbraw/zinc/67/38/07/657673807.db2.gz RAAZFVINXAODTP-NWDGAFQWSA-N 2 2 293.371 -0.354 20 0 CBADLP CC[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001016260699 657673820 /nfs/dbraw/zinc/67/38/20/657673820.db2.gz RAAZFVINXAODTP-NWDGAFQWSA-N 2 2 293.371 -0.354 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@H+](CCn2cncn2)C1 ZINC001016397858 657698847 /nfs/dbraw/zinc/69/88/47/657698847.db2.gz ORZLYRKLDPCUHG-GFCCVEGCSA-N 2 2 289.343 -0.635 20 0 CBADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001016397858 657698860 /nfs/dbraw/zinc/69/88/60/657698860.db2.gz ORZLYRKLDPCUHG-GFCCVEGCSA-N 2 2 289.343 -0.635 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CC12CC[NH+](CCO)CC2 ZINC001016902689 657737072 /nfs/dbraw/zinc/73/70/72/657737072.db2.gz MZMCCMUITRWMIS-NSHDSACASA-N 2 2 278.356 -0.085 20 0 CBADLP C[C@H](O)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](C)CCO1 ZINC001017441086 657759285 /nfs/dbraw/zinc/75/92/85/657759285.db2.gz NQPMIKSQLUEWOG-IGQOVBAYSA-N 2 2 297.399 -0.627 20 0 CBADLP C[C@H](O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](C)CCO1 ZINC001017441086 657759292 /nfs/dbraw/zinc/75/92/92/657759292.db2.gz NQPMIKSQLUEWOG-IGQOVBAYSA-N 2 2 297.399 -0.627 20 0 CBADLP C[C@H](O)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001017441086 657759301 /nfs/dbraw/zinc/75/93/01/657759301.db2.gz NQPMIKSQLUEWOG-IGQOVBAYSA-N 2 2 297.399 -0.627 20 0 CBADLP C[C@H](O)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001017441086 657759327 /nfs/dbraw/zinc/75/93/27/657759327.db2.gz NQPMIKSQLUEWOG-IGQOVBAYSA-N 2 2 297.399 -0.627 20 0 CBADLP O=C1NCCN1C1CC[NH+](C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000917012284 657796175 /nfs/dbraw/zinc/79/61/75/657796175.db2.gz FPDAKCTZDZHWTH-AWEZNQCLSA-N 2 2 296.415 -0.067 20 0 CBADLP C[C@H](O)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1 ZINC001018337187 657802058 /nfs/dbraw/zinc/80/20/58/657802058.db2.gz ISKJVVAAEXQWEP-RWMBFGLXSA-N 2 2 278.356 -0.061 20 0 CBADLP C[C@H](O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1 ZINC001018337187 657802064 /nfs/dbraw/zinc/80/20/64/657802064.db2.gz ISKJVVAAEXQWEP-RWMBFGLXSA-N 2 2 278.356 -0.061 20 0 CBADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NC[C@@H]1CC[NH+]1C ZINC000917960260 657822515 /nfs/dbraw/zinc/82/25/15/657822515.db2.gz OTMIYMYOBRRELL-RYUDHWBXSA-N 2 2 269.393 -0.765 20 0 CBADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NC[C@@H]1CC[NH+]1C ZINC000917960260 657822520 /nfs/dbraw/zinc/82/25/20/657822520.db2.gz OTMIYMYOBRRELL-RYUDHWBXSA-N 2 2 269.393 -0.765 20 0 CBADLP CN1CC[NH+](C)C[C@@H]1CNC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000917960260 657822522 /nfs/dbraw/zinc/82/25/22/657822522.db2.gz OTMIYMYOBRRELL-RYUDHWBXSA-N 2 2 269.393 -0.765 20 0 CBADLP CN1CC[NH+](C)C[C@@H]1CNC(=O)NC[C@@H]1CC[N@H+]1C ZINC000917960260 657822526 /nfs/dbraw/zinc/82/25/26/657822526.db2.gz OTMIYMYOBRRELL-RYUDHWBXSA-N 2 2 269.393 -0.765 20 0 CBADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2cnon2)C1 ZINC001018636338 657829503 /nfs/dbraw/zinc/82/95/03/657829503.db2.gz UDYJCUAMHILERN-CMPLNLGQSA-N 2 2 279.344 -0.146 20 0 CBADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2cnon2)C1 ZINC001018636338 657829504 /nfs/dbraw/zinc/82/95/04/657829504.db2.gz UDYJCUAMHILERN-CMPLNLGQSA-N 2 2 279.344 -0.146 20 0 CBADLP C[C@@H]([NH2+][C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1)C(N)=O ZINC001018782915 657845099 /nfs/dbraw/zinc/84/50/99/657845099.db2.gz FLMFXBWVHBHUGG-ZJUUUORDSA-N 2 2 279.344 -0.593 20 0 CBADLP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CC[C@H]([NH2+]CCO)C1 ZINC001019055860 657859992 /nfs/dbraw/zinc/85/99/92/657859992.db2.gz ACWADILWNGOQLG-NEPJUHHUSA-N 2 2 278.356 -0.372 20 0 CBADLP C[C@H](O)C[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001019213036 657870632 /nfs/dbraw/zinc/87/06/32/657870632.db2.gz ZSOOUGIRVQFYMZ-RYUDHWBXSA-N 2 2 266.345 -0.156 20 0 CBADLP C[C@@H](CNC(=O)NC[C@H]1CC[N@@H+]1C)CN1CC[NH+](C)CC1 ZINC000920453112 657876329 /nfs/dbraw/zinc/87/63/29/657876329.db2.gz XRFGZMUGOHJROK-UONOGXRCSA-N 2 2 297.447 -0.127 20 0 CBADLP C[C@@H](CNC(=O)NC[C@H]1CC[N@H+]1C)CN1CC[NH+](C)CC1 ZINC000920453112 657876332 /nfs/dbraw/zinc/87/63/32/657876332.db2.gz XRFGZMUGOHJROK-UONOGXRCSA-N 2 2 297.447 -0.127 20 0 CBADLP CN1CC[C@H]([NH2+][C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1=O ZINC001019436060 657894475 /nfs/dbraw/zinc/89/44/75/657894475.db2.gz RNDGNLBZSGQVLL-JQWIXIFHSA-N 2 2 291.355 -0.627 20 0 CBADLP CN(C)c1[nH+]cc(CNC(=O)NC[C@H]2CC[N@@H+]2C)n1C ZINC000921364680 657894407 /nfs/dbraw/zinc/89/44/07/657894407.db2.gz PJQLULCISNUSBD-SNVBAGLBSA-N 2 2 280.376 -0.011 20 0 CBADLP CN(C)c1[nH+]cc(CNC(=O)NC[C@H]2CC[N@H+]2C)n1C ZINC000921364680 657894414 /nfs/dbraw/zinc/89/44/14/657894414.db2.gz PJQLULCISNUSBD-SNVBAGLBSA-N 2 2 280.376 -0.011 20 0 CBADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H]([NH2+]CCO)C1 ZINC001019493980 657899448 /nfs/dbraw/zinc/89/94/48/657899448.db2.gz UVVLTDCJOGCBFU-MNOVXSKESA-N 2 2 266.345 -0.229 20 0 CBADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H]([NH2+]CCO)C1 ZINC001019493980 657899453 /nfs/dbraw/zinc/89/94/53/657899453.db2.gz UVVLTDCJOGCBFU-MNOVXSKESA-N 2 2 266.345 -0.229 20 0 CBADLP CC[C@@H]([NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1)C(N)=O ZINC001019566010 657912417 /nfs/dbraw/zinc/91/24/17/657912417.db2.gz NOBAHEFQEOFMLH-VHSXEESVSA-N 2 2 279.344 -0.593 20 0 CBADLP CC[C@H]([NH2+][C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1)C(N)=O ZINC001019653631 657927896 /nfs/dbraw/zinc/92/78/96/657927896.db2.gz OLDPVSUJWXICCY-JQWIXIFHSA-N 2 2 293.371 -0.583 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]([NH2+]C[C@@H](C)O)C1 ZINC001019707541 657930651 /nfs/dbraw/zinc/93/06/51/657930651.db2.gz JZKRGNXMOOBZET-KOLCDFICSA-N 2 2 266.345 -0.168 20 0 CBADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@H]([NH2+]CC(N)=O)C1 ZINC001019722986 657932586 /nfs/dbraw/zinc/93/25/86/657932586.db2.gz XLKUJKZZIPZBBD-JTQLQIEISA-N 2 2 279.344 -0.972 20 0 CBADLP NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001020312292 658037642 /nfs/dbraw/zinc/03/76/42/658037642.db2.gz GGIBSYYYJLJQSH-DCAQKATOSA-N 2 2 291.355 -0.832 20 0 CBADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCO)C1 ZINC001020432156 658049144 /nfs/dbraw/zinc/04/91/44/658049144.db2.gz DHHKRBOYOJFMBR-IHRRRGAJSA-N 2 2 299.415 -0.284 20 0 CBADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCO)C1 ZINC001020432156 658049156 /nfs/dbraw/zinc/04/91/56/658049156.db2.gz DHHKRBOYOJFMBR-IHRRRGAJSA-N 2 2 299.415 -0.284 20 0 CBADLP NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001020571714 658073929 /nfs/dbraw/zinc/07/39/29/658073929.db2.gz TVEBCDSDPWMMKQ-GUBZILKMSA-N 2 2 291.355 -0.448 20 0 CBADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001020635428 658081682 /nfs/dbraw/zinc/08/16/82/658081682.db2.gz WZVXVSQIJDOJHI-FXPVBKGRSA-N 2 2 277.328 -0.923 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001020816870 658092973 /nfs/dbraw/zinc/09/29/73/658092973.db2.gz PHGPEQAEEXJASC-GMTAPVOTSA-N 2 2 291.355 -0.532 20 0 CBADLP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)C1)C(N)=O ZINC001020926536 658114024 /nfs/dbraw/zinc/11/40/24/658114024.db2.gz DOMBRKLEIGXKRG-GUBZILKMSA-N 2 2 279.344 -0.927 20 0 CBADLP CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1)C(N)=O ZINC001021128507 658152643 /nfs/dbraw/zinc/15/26/43/658152643.db2.gz BSQFVCWDYDPXRT-DCAQKATOSA-N 2 2 279.344 -0.616 20 0 CBADLP Cc1nnc(C[NH2+][C@H]2C[C@H](NC(=O)Cn3cc[nH+]c3)C2)[nH]1 ZINC001021126534 658152762 /nfs/dbraw/zinc/15/27/62/658152762.db2.gz QZZLFLRCUKDVFI-XYPYZODXSA-N 2 2 289.343 -0.253 20 0 CBADLP [NH3+]C[C@@H]1CCC[N@@H+]1C[C@@H](O)COC1CCOCC1 ZINC000923292949 658195198 /nfs/dbraw/zinc/19/51/98/658195198.db2.gz LQKVWTCXCBLKLP-NWDGAFQWSA-N 2 2 258.362 -0.034 20 0 CBADLP [NH3+]C[C@@H]1CCC[N@H+]1C[C@@H](O)COC1CCOCC1 ZINC000923292949 658195203 /nfs/dbraw/zinc/19/52/03/658195203.db2.gz LQKVWTCXCBLKLP-NWDGAFQWSA-N 2 2 258.362 -0.034 20 0 CBADLP C[C@@H](CS(C)(=O)=O)[N@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923315026 658204212 /nfs/dbraw/zinc/20/42/12/658204212.db2.gz CHUKMJBGVBCZOA-QWRGUYRKSA-N 2 2 276.402 -0.270 20 0 CBADLP C[C@@H](CS(C)(=O)=O)[N@@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923315026 658204217 /nfs/dbraw/zinc/20/42/17/658204217.db2.gz CHUKMJBGVBCZOA-QWRGUYRKSA-N 2 2 276.402 -0.270 20 0 CBADLP CCNC(=O)C[NH+]1CCN(CCC[NH2+]C2CC2)CC1 ZINC000923319464 658207575 /nfs/dbraw/zinc/20/75/75/658207575.db2.gz OBQMZHFQYZHKIX-UHFFFAOYSA-N 2 2 268.405 -0.118 20 0 CBADLP Cc1cnn(C[C@H]2C[N@@H+]([C@H]3C[C@H]([NH3+])C[C@@H]3O)CCO2)c1 ZINC000923321465 658210776 /nfs/dbraw/zinc/21/07/76/658210776.db2.gz FHTFQNDOMRRNSB-CRWXNKLISA-N 2 2 280.372 -0.257 20 0 CBADLP Cc1cnn(C[C@H]2C[N@H+]([C@H]3C[C@H]([NH3+])C[C@@H]3O)CCO2)c1 ZINC000923321465 658210804 /nfs/dbraw/zinc/21/08/04/658210804.db2.gz FHTFQNDOMRRNSB-CRWXNKLISA-N 2 2 280.372 -0.257 20 0 CBADLP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CCO[C@H]([C@H]3CCCO3)C2)C1 ZINC000923318132 658212271 /nfs/dbraw/zinc/21/22/71/658212271.db2.gz IHSWWSVNEDOHPQ-NWBUJAPZSA-N 2 2 256.346 -0.283 20 0 CBADLP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CCO[C@H]([C@H]3CCCO3)C2)C1 ZINC000923318132 658212288 /nfs/dbraw/zinc/21/22/88/658212288.db2.gz IHSWWSVNEDOHPQ-NWBUJAPZSA-N 2 2 256.346 -0.283 20 0 CBADLP CCOCC[C@@H](O)C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000923334274 658220608 /nfs/dbraw/zinc/22/06/08/658220608.db2.gz VHBRKDSBPUSPHZ-UONOGXRCSA-N 2 2 299.415 -0.330 20 0 CBADLP CCOCC[C@@H](O)C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000923334274 658220639 /nfs/dbraw/zinc/22/06/39/658220639.db2.gz VHBRKDSBPUSPHZ-UONOGXRCSA-N 2 2 299.415 -0.330 20 0 CBADLP CSC[C@H](O)C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000923334311 658223000 /nfs/dbraw/zinc/22/30/00/658223000.db2.gz WGJGEFFTJUIMRJ-NWDGAFQWSA-N 2 2 287.429 -0.394 20 0 CBADLP CSC[C@H](O)C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000923334311 658223011 /nfs/dbraw/zinc/22/30/11/658223011.db2.gz WGJGEFFTJUIMRJ-NWDGAFQWSA-N 2 2 287.429 -0.394 20 0 CBADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1C[C@H](O)COC[C@@H]1CCCO1 ZINC000923368210 658232110 /nfs/dbraw/zinc/23/21/10/658232110.db2.gz NVLKTRLGMXXABZ-CYDGBPFRSA-N 2 2 258.362 -0.036 20 0 CBADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1C[C@H](O)COC[C@@H]1CCCO1 ZINC000923368210 658232122 /nfs/dbraw/zinc/23/21/22/658232122.db2.gz NVLKTRLGMXXABZ-CYDGBPFRSA-N 2 2 258.362 -0.036 20 0 CBADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1C[C@@H](O)COC[C@@H]1CCCO1 ZINC000923368212 658236802 /nfs/dbraw/zinc/23/68/02/658236802.db2.gz NVLKTRLGMXXABZ-RNJOBUHISA-N 2 2 258.362 -0.036 20 0 CBADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1C[C@@H](O)COC[C@@H]1CCCO1 ZINC000923368212 658236832 /nfs/dbraw/zinc/23/68/32/658236832.db2.gz NVLKTRLGMXXABZ-RNJOBUHISA-N 2 2 258.362 -0.036 20 0 CBADLP COC[C@H](C)OC[C@@H](O)C[N@@H+]1CC2CC1(C[NH3+])C2 ZINC000923390497 658250781 /nfs/dbraw/zinc/25/07/81/658250781.db2.gz HXDCLASCFNMNOV-QCXCNERSSA-N 2 2 258.362 -0.178 20 0 CBADLP COC[C@H](C)OC[C@@H](O)C[N@H+]1CC2CC1(C[NH3+])C2 ZINC000923390497 658250791 /nfs/dbraw/zinc/25/07/91/658250791.db2.gz HXDCLASCFNMNOV-QCXCNERSSA-N 2 2 258.362 -0.178 20 0 CBADLP COC[C@@H](C)OC[C@@H](O)C[N@@H+]1CC2CC1(C[NH3+])C2 ZINC000923390493 658251744 /nfs/dbraw/zinc/25/17/44/658251744.db2.gz HXDCLASCFNMNOV-IGJPJIBNSA-N 2 2 258.362 -0.178 20 0 CBADLP COC[C@@H](C)OC[C@@H](O)C[N@H+]1CC2CC1(C[NH3+])C2 ZINC000923390493 658251760 /nfs/dbraw/zinc/25/17/60/658251760.db2.gz HXDCLASCFNMNOV-IGJPJIBNSA-N 2 2 258.362 -0.178 20 0 CBADLP CC[C@H](O)CN1CC[NH2+]CC[N@H+](C[C@@H](O)CC)CC1 ZINC000923395715 658253659 /nfs/dbraw/zinc/25/36/59/658253659.db2.gz VLQLAJTUILQXHJ-KBPBESRZSA-N 2 2 273.421 -0.265 20 0 CBADLP CC[C@H](O)CN1CC[NH2+]CC[N@@H+](C[C@@H](O)CC)CC1 ZINC000923395715 658253667 /nfs/dbraw/zinc/25/36/67/658253667.db2.gz VLQLAJTUILQXHJ-KBPBESRZSA-N 2 2 273.421 -0.265 20 0 CBADLP COCCOC[C@H](O)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000923397777 658256151 /nfs/dbraw/zinc/25/61/51/658256151.db2.gz DVTOHNFADFNMCH-NEPJUHHUSA-N 2 2 258.362 -0.116 20 0 CBADLP [NH3+][C@]1(CO)CCC[N@H+](C[C@H](O)Cn2cccn2)C1 ZINC000923474276 658300760 /nfs/dbraw/zinc/30/07/60/658300760.db2.gz ZUGDLCXYSWSSDG-NWDGAFQWSA-N 2 2 254.334 -0.970 20 0 CBADLP [NH3+][C@]1(CO)CCC[N@@H+](C[C@H](O)Cn2cccn2)C1 ZINC000923474276 658300768 /nfs/dbraw/zinc/30/07/68/658300768.db2.gz ZUGDLCXYSWSSDG-NWDGAFQWSA-N 2 2 254.334 -0.970 20 0 CBADLP C[C@@H]1C[N@H+](CCCN2C(=O)NC(C)(C)C2=O)C[C@H]1[NH3+] ZINC000923512018 658311254 /nfs/dbraw/zinc/31/12/54/658311254.db2.gz DRYLLBSVHCVBLE-NXEZZACHSA-N 2 2 268.361 -0.014 20 0 CBADLP C[C@@H]1C[N@@H+](CCCN2C(=O)NC(C)(C)C2=O)C[C@H]1[NH3+] ZINC000923512018 658311268 /nfs/dbraw/zinc/31/12/68/658311268.db2.gz DRYLLBSVHCVBLE-NXEZZACHSA-N 2 2 268.361 -0.014 20 0 CBADLP CN(Cc1cnn(C)c1)C(=O)C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518061 658313386 /nfs/dbraw/zinc/31/33/86/658313386.db2.gz RMDRNBNWJGLWKH-UONOGXRCSA-N 2 2 291.399 -0.080 20 0 CBADLP CN(Cc1cnn(C)c1)C(=O)C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518061 658313393 /nfs/dbraw/zinc/31/33/93/658313393.db2.gz RMDRNBNWJGLWKH-UONOGXRCSA-N 2 2 291.399 -0.080 20 0 CBADLP COC(=O)CCNC(=O)C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516781 658313961 /nfs/dbraw/zinc/31/39/61/658313961.db2.gz RWRHNECIGNMALD-WDEREUQCSA-N 2 2 269.345 -0.793 20 0 CBADLP COC(=O)CCNC(=O)C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516781 658313971 /nfs/dbraw/zinc/31/39/71/658313971.db2.gz RWRHNECIGNMALD-WDEREUQCSA-N 2 2 269.345 -0.793 20 0 CBADLP CO[C@H](C)C[NH+]1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000951754529 658333634 /nfs/dbraw/zinc/33/36/34/658333634.db2.gz HPPAPJMFUZNXMO-CQSZACIVSA-N 2 2 299.415 -0.112 20 0 CBADLP O=S(=O)(NC[C@@H]1CC[NH2+]CC1(F)F)C1C[NH2+]C1 ZINC000923648268 658373676 /nfs/dbraw/zinc/37/36/76/658373676.db2.gz ZFZNDMXHICHTAO-ZETCQYMHSA-N 2 2 269.317 -0.878 20 0 CBADLP C[NH+](C)C[C@H]1NC(=O)N(CC(C)(C)[NH+]2CCOCC2)C1=O ZINC000924437575 658600302 /nfs/dbraw/zinc/60/03/02/658600302.db2.gz WQRALJPKPFZLOF-LLVKDONJSA-N 2 2 298.387 -0.421 20 0 CBADLP C[NH+](C)C[C@@H]1NC(=O)N(CC(C)(C)[NH+]2CCOCC2)C1=O ZINC000924437581 658600916 /nfs/dbraw/zinc/60/09/16/658600916.db2.gz WQRALJPKPFZLOF-NSHDSACASA-N 2 2 298.387 -0.421 20 0 CBADLP CN(C)c1[nH+]cc(CN2C(=O)N[C@@H](C[NH+](C)C)C2=O)n1C ZINC000924620389 658624847 /nfs/dbraw/zinc/62/48/47/658624847.db2.gz MOUQSCYXNPRJSY-JTQLQIEISA-N 2 2 294.359 -0.532 20 0 CBADLP CC1(C)CNC(=O)[C@@H]1[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000924754536 658635938 /nfs/dbraw/zinc/63/59/38/658635938.db2.gz GIPCKLPNFRUPIL-RYUDHWBXSA-N 2 2 269.389 -0.053 20 0 CBADLP CC1(C)CNC(=O)[C@H]1[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000924758456 658636428 /nfs/dbraw/zinc/63/64/28/658636428.db2.gz VPMBYSSVRQYOTG-WDEREUQCSA-N 2 2 255.362 -0.443 20 0 CBADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccnnc1 ZINC000924840141 658643298 /nfs/dbraw/zinc/64/32/98/658643298.db2.gz SCGMYHCXXDOVGO-NSHDSACASA-N 2 2 263.345 -0.099 20 0 CBADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CN3C[C@@H]2CCC3)CC1 ZINC000924842384 658643909 /nfs/dbraw/zinc/64/39/09/658643909.db2.gz SARQBRYZQJLITE-STQMWFEESA-N 2 2 266.389 -0.556 20 0 CBADLP CC1(C)CNC(=O)[C@@H]1[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000924967702 658679057 /nfs/dbraw/zinc/67/90/57/658679057.db2.gz YFQWWBOJOUHFJG-UTUOFQBUSA-N 2 2 267.373 -0.036 20 0 CBADLP CC1(C)CNC(=O)[C@@H]1[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000924967702 658679067 /nfs/dbraw/zinc/67/90/67/658679067.db2.gz YFQWWBOJOUHFJG-UTUOFQBUSA-N 2 2 267.373 -0.036 20 0 CBADLP C[N@@H+]1C[C@H](O)C[C@H]1CNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000924981820 658691609 /nfs/dbraw/zinc/69/16/09/658691609.db2.gz OTHYIZCTHOPNBM-GPRRCUJPSA-N 2 2 283.372 -0.944 20 0 CBADLP C[N@H+]1C[C@H](O)C[C@H]1CNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000924981820 658691619 /nfs/dbraw/zinc/69/16/19/658691619.db2.gz OTHYIZCTHOPNBM-GPRRCUJPSA-N 2 2 283.372 -0.944 20 0 CBADLP C/C(=C\C(=O)NCC[N@H+](C)CCO)C[NH+]1CCOCC1 ZINC000924997330 658722359 /nfs/dbraw/zinc/72/23/59/658722359.db2.gz CAKIWHQWAVWADL-ACCUITESSA-N 2 2 285.388 -0.695 20 0 CBADLP C/C(=C\C(=O)NCC[N@@H+](C)CCO)C[NH+]1CCOCC1 ZINC000924997330 658722380 /nfs/dbraw/zinc/72/23/80/658722380.db2.gz CAKIWHQWAVWADL-ACCUITESSA-N 2 2 285.388 -0.695 20 0 CBADLP C[N@@H+]1CCC[C@H](N2C(=O)N[C@@H](Cc3c[nH]c[nH+]3)C2=O)C1 ZINC000925290808 658816480 /nfs/dbraw/zinc/81/64/80/658816480.db2.gz DXGBRDLVZVZWAR-QWRGUYRKSA-N 2 2 277.328 -0.033 20 0 CBADLP C[N@H+]1CCC[C@H](N2C(=O)N[C@@H](Cc3c[nH]c[nH+]3)C2=O)C1 ZINC000925290808 658816486 /nfs/dbraw/zinc/81/64/86/658816486.db2.gz DXGBRDLVZVZWAR-QWRGUYRKSA-N 2 2 277.328 -0.033 20 0 CBADLP C[NH+](C)C[C@H]1NC(=O)N(CC[N@@H+]2CCOC(C)(C)C2)C1=O ZINC000925293296 658817292 /nfs/dbraw/zinc/81/72/92/658817292.db2.gz KVWLRBICPWSPEU-LLVKDONJSA-N 2 2 298.387 -0.421 20 0 CBADLP C[NH+](C)C[C@H]1NC(=O)N(CC[N@H+]2CCOC(C)(C)C2)C1=O ZINC000925293296 658817295 /nfs/dbraw/zinc/81/72/95/658817295.db2.gz KVWLRBICPWSPEU-LLVKDONJSA-N 2 2 298.387 -0.421 20 0 CBADLP CC[C@@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2CC[N@@H+]2C)CC1 ZINC000925412640 658841432 /nfs/dbraw/zinc/84/14/32/658841432.db2.gz BZJHSYCXALVHOU-QWHCGFSZSA-N 2 2 284.404 -0.211 20 0 CBADLP CC[C@@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2CC[N@H+]2C)CC1 ZINC000925412640 658841439 /nfs/dbraw/zinc/84/14/39/658841439.db2.gz BZJHSYCXALVHOU-QWHCGFSZSA-N 2 2 284.404 -0.211 20 0 CBADLP C[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH+]cn1C ZINC000962291380 658849614 /nfs/dbraw/zinc/84/96/14/658849614.db2.gz FLPMZQAXAOIFEP-PQFRYHKHSA-N 2 2 278.356 -0.610 20 0 CBADLP C[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH+]cn1C ZINC000962291380 658849619 /nfs/dbraw/zinc/84/96/19/658849619.db2.gz FLPMZQAXAOIFEP-PQFRYHKHSA-N 2 2 278.356 -0.610 20 0 CBADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NC[C@H]1CC[NH+]1C ZINC000925434834 658853808 /nfs/dbraw/zinc/85/38/08/658853808.db2.gz NOOJFYTZEMISIP-CYBMUJFWSA-N 3 2 285.436 -0.127 20 0 CBADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NC[C@H]1CC[NH+]1C ZINC000925434834 658853811 /nfs/dbraw/zinc/85/38/11/658853811.db2.gz NOOJFYTZEMISIP-CYBMUJFWSA-N 3 2 285.436 -0.127 20 0 CBADLP C[NH+](C)CCC[NH+](C)CCNC(=O)NC[C@H]1CC[N@@H+]1C ZINC000925434834 658853817 /nfs/dbraw/zinc/85/38/17/658853817.db2.gz NOOJFYTZEMISIP-CYBMUJFWSA-N 3 2 285.436 -0.127 20 0 CBADLP C[NH+](C)CCC[NH+](C)CCNC(=O)NC[C@H]1CC[N@H+]1C ZINC000925434834 658853821 /nfs/dbraw/zinc/85/38/21/658853821.db2.gz NOOJFYTZEMISIP-CYBMUJFWSA-N 3 2 285.436 -0.127 20 0 CBADLP CS(=O)(=O)CCOCC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925575221 658859329 /nfs/dbraw/zinc/85/93/29/658859329.db2.gz REAQUMCRTDRQRM-NSHDSACASA-N 2 2 276.402 -0.078 20 0 CBADLP CC(C)[C@H](CN[C@H]1C[NH2+]CCOC1)N1CC[NH+](C)CC1 ZINC000925605484 658861965 /nfs/dbraw/zinc/86/19/65/658861965.db2.gz GPSMMIDFLMCSJN-GJZGRUSLSA-N 2 2 284.448 -0.164 20 0 CBADLP CN(C)S(=O)(=O)C1(C[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CC1 ZINC000925775259 658871031 /nfs/dbraw/zinc/87/10/31/658871031.db2.gz PFQXGPQZTMGVKN-NWBUJAPZSA-N 2 2 299.440 -0.004 20 0 CBADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCN1CCNC1=O ZINC000925778665 658871045 /nfs/dbraw/zinc/87/10/45/658871045.db2.gz WHRXQXKMKRMAJS-WDEREUQCSA-N 2 2 256.350 -0.632 20 0 CBADLP O=C1NCCN1CC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000925777673 658871230 /nfs/dbraw/zinc/87/12/30/658871230.db2.gz QDJNYVPQWHQNRP-RYUDHWBXSA-N 2 2 268.361 -0.632 20 0 CBADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925816762 658872929 /nfs/dbraw/zinc/87/29/29/658872929.db2.gz IJOKRWOCBPRWBN-JSGCOSHPSA-N 3 2 270.421 -0.234 20 0 CBADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@@H](O)c1ccnn1C ZINC000925888654 658876380 /nfs/dbraw/zinc/87/63/80/658876380.db2.gz DXAIQVXWUXTXAU-NQBHXWOUSA-N 2 2 268.361 -0.190 20 0 CBADLP NC(=O)C[NH2+]C1CC2(CC(NC(=O)Cn3cc[nH+]c3)C2)C1 ZINC000965947142 658885718 /nfs/dbraw/zinc/88/57/18/658885718.db2.gz DLBLZHHUSLRQRT-UHFFFAOYSA-N 2 2 291.355 -0.615 20 0 CBADLP C[C@@H]1CN(C(=O)C(=O)N(C)CCCn2cc[nH+]c2)C[C@H]1[NH3+] ZINC000926357041 658896744 /nfs/dbraw/zinc/89/67/44/658896744.db2.gz MRQCPZYJPFCSJO-VXGBXAGGSA-N 2 2 293.371 -0.463 20 0 CBADLP C[C@H]1COC[C@@H]1[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000926750118 658913046 /nfs/dbraw/zinc/91/30/46/658913046.db2.gz PEIIXVTVDLDJDH-SRVKXCTJSA-N 2 2 255.362 -0.049 20 0 CBADLP C[C@H]1COC[C@@H]1[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000926750118 658913048 /nfs/dbraw/zinc/91/30/48/658913048.db2.gz PEIIXVTVDLDJDH-SRVKXCTJSA-N 2 2 255.362 -0.049 20 0 CBADLP C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1C[NH+](CC(=O)N(C)C)C1 ZINC000969411711 658986911 /nfs/dbraw/zinc/98/69/11/658986911.db2.gz OOXCAPUCWMKCNW-DGCLKSJQSA-N 2 2 296.415 -0.395 20 0 CBADLP C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C1C[NH+](CC(=O)N(C)C)C1 ZINC000969411711 658986920 /nfs/dbraw/zinc/98/69/20/658986920.db2.gz OOXCAPUCWMKCNW-DGCLKSJQSA-N 2 2 296.415 -0.395 20 0 CBADLP C[C@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C1C[NH+](CCCO)C1 ZINC000969443111 658990905 /nfs/dbraw/zinc/99/09/05/658990905.db2.gz XPBZFBOPUSVFCX-WCQYABFASA-N 2 2 285.388 -0.864 20 0 CBADLP C[C@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C1C[NH+](CCCO)C1 ZINC000969443111 658990913 /nfs/dbraw/zinc/99/09/13/658990913.db2.gz XPBZFBOPUSVFCX-WCQYABFASA-N 2 2 285.388 -0.864 20 0 CBADLP C[C@H]([NH2+][C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1)C(N)=O ZINC000969437372 658991445 /nfs/dbraw/zinc/99/14/45/658991445.db2.gz UZOWXPMIFKSEJZ-WDEREUQCSA-N 2 2 293.371 -0.583 20 0 CBADLP C[C@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C1C[NH+](CCCO)C1 ZINC000969443109 658992615 /nfs/dbraw/zinc/99/26/15/658992615.db2.gz XPBZFBOPUSVFCX-AAEUAGOBSA-N 2 2 285.388 -0.864 20 0 CBADLP C[C@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C1C[NH+](CCCO)C1 ZINC000969443109 658992619 /nfs/dbraw/zinc/99/26/19/658992619.db2.gz XPBZFBOPUSVFCX-AAEUAGOBSA-N 2 2 285.388 -0.864 20 0 CBADLP C[C@H](NC(=O)[C@H]1C[NH+]2CCC1CC2)C1C[NH+](CC(N)=O)C1 ZINC000969678143 659011137 /nfs/dbraw/zinc/01/11/37/659011137.db2.gz UHOWYANVMBZAHB-GWCFXTLKSA-N 2 2 294.399 -0.750 20 0 CBADLP NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000969911393 659022869 /nfs/dbraw/zinc/02/28/69/659022869.db2.gz TYMGGCUNNIXGDD-NXEZZACHSA-N 2 2 291.355 -0.495 20 0 CBADLP C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C1C[NH+](CC(N)=O)C1 ZINC000969975497 659026675 /nfs/dbraw/zinc/02/66/75/659026675.db2.gz KMLAKHDUFBSZIU-ZYHUDNBSSA-N 2 2 282.388 -0.608 20 0 CBADLP C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C)C1C[NH+](CC(N)=O)C1 ZINC000969975497 659026680 /nfs/dbraw/zinc/02/66/80/659026680.db2.gz KMLAKHDUFBSZIU-ZYHUDNBSSA-N 2 2 282.388 -0.608 20 0 CBADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC000970228673 659041297 /nfs/dbraw/zinc/04/12/97/659041297.db2.gz WOXXDMICOLEHIR-VHSXEESVSA-N 2 2 279.344 -0.736 20 0 CBADLP C[C@H]([NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1)C(N)=O ZINC000970341617 659049484 /nfs/dbraw/zinc/04/94/84/659049484.db2.gz SGDFDIGJMYEORR-DTWKUNHWSA-N 2 2 265.317 -0.984 20 0 CBADLP C[C@H]([NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1)C(N)=O ZINC000970481256 659058493 /nfs/dbraw/zinc/05/84/93/659058493.db2.gz BNRUELXKUARCII-VHSXEESVSA-N 2 2 279.344 -0.973 20 0 CBADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]([NH2+]CCO)C1 ZINC000970481691 659058662 /nfs/dbraw/zinc/05/86/62/659058662.db2.gz IPRSNFJFURTXJU-SNVBAGLBSA-N 2 2 252.318 -0.855 20 0 CBADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H]([NH2+]CCn2cncn2)C1 ZINC000970857890 659073006 /nfs/dbraw/zinc/07/30/06/659073006.db2.gz ODOHQADRMMVENA-GFCCVEGCSA-N 2 2 289.343 -0.635 20 0 CBADLP C[N@H+](CCO)[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000971658135 659095280 /nfs/dbraw/zinc/09/52/80/659095280.db2.gz LARLBPQCKBEONA-LBPRGKRZSA-N 2 2 266.345 -0.133 20 0 CBADLP C[N@@H+](CCO)[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000971658135 659095281 /nfs/dbraw/zinc/09/52/81/659095281.db2.gz LARLBPQCKBEONA-LBPRGKRZSA-N 2 2 266.345 -0.133 20 0 CBADLP C[N@H+](CCO)[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000971658135 659095282 /nfs/dbraw/zinc/09/52/82/659095282.db2.gz LARLBPQCKBEONA-LBPRGKRZSA-N 2 2 266.345 -0.133 20 0 CBADLP C[N@@H+](CCO)[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000971658135 659095286 /nfs/dbraw/zinc/09/52/86/659095286.db2.gz LARLBPQCKBEONA-LBPRGKRZSA-N 2 2 266.345 -0.133 20 0 CBADLP C[NH+](C)CC(=O)N1CC[NH+](C[C@@H](O)C2(O)CCCC2)CC1 ZINC000929258887 659107899 /nfs/dbraw/zinc/10/78/99/659107899.db2.gz IPQZGASJQYAGGJ-CYBMUJFWSA-N 2 2 299.415 -0.642 20 0 CBADLP Cc1[nH+]ccn1CCCNC(=O)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000929400940 659122199 /nfs/dbraw/zinc/12/21/99/659122199.db2.gz IIARXDMDFMLFQB-LBPRGKRZSA-N 2 2 293.371 -0.482 20 0 CBADLP Cc1[nH+]ccn1CCCNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000929400940 659122202 /nfs/dbraw/zinc/12/22/02/659122202.db2.gz IIARXDMDFMLFQB-LBPRGKRZSA-N 2 2 293.371 -0.482 20 0 CBADLP C[C@@H](O)C[N@H+](C)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000972617642 659123883 /nfs/dbraw/zinc/12/38/83/659123883.db2.gz DMCCBZWOIDYRIB-MNOVXSKESA-N 2 2 266.345 -0.134 20 0 CBADLP C[C@@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000972617642 659123889 /nfs/dbraw/zinc/12/38/89/659123889.db2.gz DMCCBZWOIDYRIB-MNOVXSKESA-N 2 2 266.345 -0.134 20 0 CBADLP C[C@@H](C(N)=O)[N@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000972724833 659126339 /nfs/dbraw/zinc/12/63/39/659126339.db2.gz RYWGYBWQJHGSTO-WDEREUQCSA-N 2 2 293.371 -0.631 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000972724833 659126344 /nfs/dbraw/zinc/12/63/44/659126344.db2.gz RYWGYBWQJHGSTO-WDEREUQCSA-N 2 2 293.371 -0.631 20 0 CBADLP C[C@@H](C(N)=O)[N@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000972724832 659127440 /nfs/dbraw/zinc/12/74/40/659127440.db2.gz RYWGYBWQJHGSTO-QWRGUYRKSA-N 2 2 293.371 -0.631 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000972724832 659127443 /nfs/dbraw/zinc/12/74/43/659127443.db2.gz RYWGYBWQJHGSTO-QWRGUYRKSA-N 2 2 293.371 -0.631 20 0 CBADLP C[NH+]1CC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000929744301 659166414 /nfs/dbraw/zinc/16/64/14/659166414.db2.gz CNEUDCLGVYWKKS-CMPLNLGQSA-N 2 2 280.372 -0.840 20 0 CBADLP C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000929744301 659166402 /nfs/dbraw/zinc/16/64/02/659166402.db2.gz CNEUDCLGVYWKKS-CMPLNLGQSA-N 2 2 280.372 -0.840 20 0 CBADLP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000929744301 659166407 /nfs/dbraw/zinc/16/64/07/659166407.db2.gz CNEUDCLGVYWKKS-CMPLNLGQSA-N 2 2 280.372 -0.840 20 0 CBADLP C[NH+]1CC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000929744301 659166418 /nfs/dbraw/zinc/16/64/18/659166418.db2.gz CNEUDCLGVYWKKS-CMPLNLGQSA-N 2 2 280.372 -0.840 20 0 CBADLP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[NH+](CC(N)=O)CC2(C)C)C1 ZINC000975060990 659177318 /nfs/dbraw/zinc/17/73/18/659177318.db2.gz KAFOVCVQFUNWSA-NEPJUHHUSA-N 2 2 296.415 -0.360 20 0 CBADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[NH+](CC(N)=O)CC2(C)C)C1 ZINC000975060990 659177320 /nfs/dbraw/zinc/17/73/20/659177320.db2.gz KAFOVCVQFUNWSA-NEPJUHHUSA-N 2 2 296.415 -0.360 20 0 CBADLP C[C@@H]1CC[NH+](CC(=O)N[C@H]2C[N@H+](CC(N)=O)CC2(C)C)C1 ZINC000975060990 659177322 /nfs/dbraw/zinc/17/73/22/659177322.db2.gz KAFOVCVQFUNWSA-NEPJUHHUSA-N 2 2 296.415 -0.360 20 0 CBADLP C[C@@H]1CC[NH+](CC(=O)N[C@H]2C[N@@H+](CC(N)=O)CC2(C)C)C1 ZINC000975060990 659177323 /nfs/dbraw/zinc/17/73/23/659177323.db2.gz KAFOVCVQFUNWSA-NEPJUHHUSA-N 2 2 296.415 -0.360 20 0 CBADLP O=C(NC[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000978318766 659216870 /nfs/dbraw/zinc/21/68/70/659216870.db2.gz HOOQGNLHLBQIBI-VEGXAWMVSA-N 2 2 290.367 -0.201 20 0 CBADLP O=C(NC[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000978318766 659216879 /nfs/dbraw/zinc/21/68/79/659216879.db2.gz HOOQGNLHLBQIBI-VEGXAWMVSA-N 2 2 290.367 -0.201 20 0 CBADLP O=C(NC[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000978318766 659216888 /nfs/dbraw/zinc/21/68/88/659216888.db2.gz HOOQGNLHLBQIBI-VEGXAWMVSA-N 2 2 290.367 -0.201 20 0 CBADLP O=C(NC[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000978318766 659216899 /nfs/dbraw/zinc/21/68/99/659216899.db2.gz HOOQGNLHLBQIBI-VEGXAWMVSA-N 2 2 290.367 -0.201 20 0 CBADLP CC(C)[NH2+]C1(CO)CC[NH+](C[C@H](O)[C@@H](C)O)CC1 ZINC000930613314 659311320 /nfs/dbraw/zinc/31/13/20/659311320.db2.gz GJGCSJJNNZBNMU-NEPJUHHUSA-N 2 2 260.378 -0.447 20 0 CBADLP CC(C)C[NH2+]C1(CO)CC[NH+](C[C@H](O)CO)CC1 ZINC000930628710 659312861 /nfs/dbraw/zinc/31/28/61/659312861.db2.gz ZDNZEZRJVNJCTH-LBPRGKRZSA-N 2 2 260.378 -0.588 20 0 CBADLP C[C@@H](C(N)=O)[N@@H+]1CCCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC000981340719 659315771 /nfs/dbraw/zinc/31/57/71/659315771.db2.gz KCTOUINCJKYMHK-LBPRGKRZSA-N 2 2 296.415 -0.121 20 0 CBADLP C[C@@H](C(N)=O)[N@H+]1CCCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC000981340719 659315775 /nfs/dbraw/zinc/31/57/75/659315775.db2.gz KCTOUINCJKYMHK-LBPRGKRZSA-N 2 2 296.415 -0.121 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CCCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC000981340719 659315776 /nfs/dbraw/zinc/31/57/76/659315776.db2.gz KCTOUINCJKYMHK-LBPRGKRZSA-N 2 2 296.415 -0.121 20 0 CBADLP C[C@@H](C(N)=O)[NH+]1CCCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC000981340719 659315778 /nfs/dbraw/zinc/31/57/78/659315778.db2.gz KCTOUINCJKYMHK-LBPRGKRZSA-N 2 2 296.415 -0.121 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CCC[C@@H]([NH2+]CCO)C1 ZINC000981415511 659317879 /nfs/dbraw/zinc/31/78/79/659317879.db2.gz AQCNPDCKKOTQJA-MNOVXSKESA-N 2 2 266.345 -0.039 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N1CC2(C1)CCC[N@@H+](CCO)C2 ZINC000982087335 659341984 /nfs/dbraw/zinc/34/19/84/659341984.db2.gz PDWKYGXKSSIIDE-UHFFFAOYSA-N 2 2 278.356 -0.131 20 0 CBADLP O=C(Cc1[nH]cc[nH+]1)N1CC2(C1)CCC[N@H+](CCO)C2 ZINC000982087335 659341994 /nfs/dbraw/zinc/34/19/94/659341994.db2.gz PDWKYGXKSSIIDE-UHFFFAOYSA-N 2 2 278.356 -0.131 20 0 CBADLP C[N@H+](CC(N)=O)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000985716269 659397433 /nfs/dbraw/zinc/39/74/33/659397433.db2.gz DSQQOVZPQSNDAC-UHFFFAOYSA-N 2 2 279.344 -0.640 20 0 CBADLP C[N@@H+](CC(N)=O)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000985716269 659397443 /nfs/dbraw/zinc/39/74/43/659397443.db2.gz DSQQOVZPQSNDAC-UHFFFAOYSA-N 2 2 279.344 -0.640 20 0 CBADLP COC(=O)CCN1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)C1=O ZINC000931281843 659424797 /nfs/dbraw/zinc/42/47/97/659424797.db2.gz XVEFNUPALNEOIU-CZXHOFHRSA-N 2 2 295.383 -0.358 20 0 CBADLP COC(=O)CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)C1=O ZINC000931281843 659424812 /nfs/dbraw/zinc/42/48/12/659424812.db2.gz XVEFNUPALNEOIU-CZXHOFHRSA-N 2 2 295.383 -0.358 20 0 CBADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CCCOC(=O)NC(N)=O)C[C@H]21 ZINC000931278801 659426218 /nfs/dbraw/zinc/42/62/18/659426218.db2.gz NAZRDMGZARHTQM-MYJAWHEDSA-N 2 2 270.333 -0.327 20 0 CBADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CCCOC(=O)NC(N)=O)C[C@H]21 ZINC000931278801 659426230 /nfs/dbraw/zinc/42/62/30/659426230.db2.gz NAZRDMGZARHTQM-MYJAWHEDSA-N 2 2 270.333 -0.327 20 0 CBADLP C[NH+]1C[C@@]2(C)C[NH+](CCCS(N)(=O)=O)C[C@]2(C)C1 ZINC000931311099 659430513 /nfs/dbraw/zinc/43/05/13/659430513.db2.gz NRYYBQDHNOFWFT-RYUDHWBXSA-N 2 2 275.418 -0.061 20 0 CBADLP CON1CC[C@@H]([NH+]2CCC(N3CC[NH+](C)CC3)CC2)C1=O ZINC000931548843 659484182 /nfs/dbraw/zinc/48/41/82/659484182.db2.gz KWRWGTVBLBWKOY-CQSZACIVSA-N 2 2 296.415 -0.140 20 0 CBADLP COC1(OC)CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)C[C@H]1O ZINC000931636834 659499322 /nfs/dbraw/zinc/49/93/22/659499322.db2.gz ZIHSVLDSGJXEJO-CHWSQXEVSA-N 2 2 290.404 -0.257 20 0 CBADLP COC1(OC)CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C[C@H]1O ZINC000931636834 659499325 /nfs/dbraw/zinc/49/93/25/659499325.db2.gz ZIHSVLDSGJXEJO-CHWSQXEVSA-N 2 2 290.404 -0.257 20 0 CBADLP COC1(OC)CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C[C@H]1O ZINC000931636834 659499327 /nfs/dbraw/zinc/49/93/27/659499327.db2.gz ZIHSVLDSGJXEJO-CHWSQXEVSA-N 2 2 290.404 -0.257 20 0 CBADLP COC1(OC)CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C[C@H]1O ZINC000931636834 659499332 /nfs/dbraw/zinc/49/93/32/659499332.db2.gz ZIHSVLDSGJXEJO-CHWSQXEVSA-N 2 2 290.404 -0.257 20 0 CBADLP C[C@@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)Cc1c[nH+]cn1C ZINC000987346768 659502873 /nfs/dbraw/zinc/50/28/73/659502873.db2.gz BUDCFKFRFOCCRA-KOLCDFICSA-N 2 2 279.344 -0.973 20 0 CBADLP C[C@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)CCc1c[nH+]cn1C ZINC000987433919 659506260 /nfs/dbraw/zinc/50/62/60/659506260.db2.gz PBCMCOBQHKODFF-JQWIXIFHSA-N 2 2 293.371 -0.583 20 0 CBADLP CC(C)C[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)CC1 ZINC000931870889 659532139 /nfs/dbraw/zinc/53/21/39/659532139.db2.gz SVYJWJXIHPOXGS-ZDUSSCGKSA-N 2 2 296.415 -0.393 20 0 CBADLP CC(C)C[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CC[N@H+]2C)CC1 ZINC000931870889 659532155 /nfs/dbraw/zinc/53/21/55/659532155.db2.gz SVYJWJXIHPOXGS-ZDUSSCGKSA-N 2 2 296.415 -0.393 20 0 CBADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@@H]2CC[NH+]2C)C[C@H]1C ZINC000931883353 659548475 /nfs/dbraw/zinc/54/84/75/659548475.db2.gz SHNSJTWLLKCFHC-AGIUHOORSA-N 2 2 296.415 -0.252 20 0 CBADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NC[C@@H]2CC[NH+]2C)C[C@H]1C ZINC000931883353 659548492 /nfs/dbraw/zinc/54/84/92/659548492.db2.gz SHNSJTWLLKCFHC-AGIUHOORSA-N 2 2 296.415 -0.252 20 0 CBADLP CC[NH+]1C[C@H](C)N(C(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)C[C@H]1C ZINC000931883353 659548506 /nfs/dbraw/zinc/54/85/06/659548506.db2.gz SHNSJTWLLKCFHC-AGIUHOORSA-N 2 2 296.415 -0.252 20 0 CBADLP CC[NH+]1C[C@H](C)N(C(=O)C(=O)NC[C@@H]2CC[N@H+]2C)C[C@H]1C ZINC000931883353 659548513 /nfs/dbraw/zinc/54/85/13/659548513.db2.gz SHNSJTWLLKCFHC-AGIUHOORSA-N 2 2 296.415 -0.252 20 0 CBADLP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NC[C@H]1CC[NH+]1C ZINC000931888257 659555586 /nfs/dbraw/zinc/55/55/86/659555586.db2.gz FCEVZAPWYYVCNK-GHMZBOCLSA-N 2 2 268.361 -0.983 20 0 CBADLP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)NC[C@H]1CC[NH+]1C ZINC000931888257 659555587 /nfs/dbraw/zinc/55/55/87/659555587.db2.gz FCEVZAPWYYVCNK-GHMZBOCLSA-N 2 2 268.361 -0.983 20 0 CBADLP CC[NH+]1CC[C@@H]1CNC(=O)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000931888257 659555589 /nfs/dbraw/zinc/55/55/89/659555589.db2.gz FCEVZAPWYYVCNK-GHMZBOCLSA-N 2 2 268.361 -0.983 20 0 CBADLP CC[NH+]1CC[C@@H]1CNC(=O)C(=O)NC[C@H]1CC[N@H+]1C ZINC000931888257 659555592 /nfs/dbraw/zinc/55/55/92/659555592.db2.gz FCEVZAPWYYVCNK-GHMZBOCLSA-N 2 2 268.361 -0.983 20 0 CBADLP C[C@H]1C[C@H]([NH2+]CCO)CN1C(=O)CCc1c[nH]c[nH+]1 ZINC000988934334 659562122 /nfs/dbraw/zinc/56/21/22/659562122.db2.gz SBJFDYKAXJRNOQ-JQWIXIFHSA-N 2 2 266.345 -0.086 20 0 CBADLP C[C@H]1C[C@H]([NH2+]CCO)CN1C(=O)CCc1c[nH+]c[nH]1 ZINC000988934334 659562128 /nfs/dbraw/zinc/56/21/28/659562128.db2.gz SBJFDYKAXJRNOQ-JQWIXIFHSA-N 2 2 266.345 -0.086 20 0 CBADLP CN(C)C(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC000989660793 659605438 /nfs/dbraw/zinc/60/54/38/659605438.db2.gz BQENFGINMCYSRZ-CYBMUJFWSA-N 2 2 296.415 -0.439 20 0 CBADLP CN(C)C(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC000989660793 659605443 /nfs/dbraw/zinc/60/54/43/659605443.db2.gz BQENFGINMCYSRZ-CYBMUJFWSA-N 2 2 296.415 -0.439 20 0 CBADLP CN(C)C(=O)C[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000989660793 659605447 /nfs/dbraw/zinc/60/54/47/659605447.db2.gz BQENFGINMCYSRZ-CYBMUJFWSA-N 2 2 296.415 -0.439 20 0 CBADLP CN(C)C(=O)C[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000989660793 659605454 /nfs/dbraw/zinc/60/54/54/659605454.db2.gz BQENFGINMCYSRZ-CYBMUJFWSA-N 2 2 296.415 -0.439 20 0 CBADLP CNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC000989661014 659606519 /nfs/dbraw/zinc/60/65/19/659606519.db2.gz FJTMOZODKVFECX-LBPRGKRZSA-N 2 2 282.388 -0.782 20 0 CBADLP CNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC000989661014 659606526 /nfs/dbraw/zinc/60/65/26/659606526.db2.gz FJTMOZODKVFECX-LBPRGKRZSA-N 2 2 282.388 -0.782 20 0 CBADLP CNC(=O)C[NH+]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000989661014 659606529 /nfs/dbraw/zinc/60/65/29/659606529.db2.gz FJTMOZODKVFECX-LBPRGKRZSA-N 2 2 282.388 -0.782 20 0 CBADLP CNC(=O)C[NH+]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000989661014 659606534 /nfs/dbraw/zinc/60/65/34/659606534.db2.gz FJTMOZODKVFECX-LBPRGKRZSA-N 2 2 282.388 -0.782 20 0 CBADLP O=C(C[NH+]1CCCC1)N1CCC[N@@H+]([C@@H]2CCNC2=O)CC1 ZINC000989670367 659607364 /nfs/dbraw/zinc/60/73/64/659607364.db2.gz UZSNBPUPXYKWHG-CYBMUJFWSA-N 2 2 294.399 -0.495 20 0 CBADLP O=C(C[NH+]1CCCC1)N1CCC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC000989670367 659607367 /nfs/dbraw/zinc/60/73/67/659607367.db2.gz UZSNBPUPXYKWHG-CYBMUJFWSA-N 2 2 294.399 -0.495 20 0 CBADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]([NH2+]CC(N)=O)C[C@H]1C ZINC000989724670 659610303 /nfs/dbraw/zinc/61/03/03/659610303.db2.gz BMYFXSLKJHMQCG-PSASIEDQSA-N 2 2 279.344 -0.675 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N[C@]23CCC[C@H]2[NH+](CCO)CC3)C1 ZINC000990109934 659671505 /nfs/dbraw/zinc/67/15/05/659671505.db2.gz UIRZQOWVUVHWJL-GUTXKFCHSA-N 2 2 297.399 -0.578 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N[C@]23CCC[C@H]2[NH+](CCO)CC3)C1 ZINC000990109934 659671512 /nfs/dbraw/zinc/67/15/12/659671512.db2.gz UIRZQOWVUVHWJL-GUTXKFCHSA-N 2 2 297.399 -0.578 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N[C@]23CCC[C@H]2[N@H+](CCO)CC3)C1 ZINC000990109934 659671517 /nfs/dbraw/zinc/67/15/17/659671517.db2.gz UIRZQOWVUVHWJL-GUTXKFCHSA-N 2 2 297.399 -0.578 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N[C@]23CCC[C@H]2[N@@H+](CCO)CC3)C1 ZINC000990109934 659671521 /nfs/dbraw/zinc/67/15/21/659671521.db2.gz UIRZQOWVUVHWJL-GUTXKFCHSA-N 2 2 297.399 -0.578 20 0 CBADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@]23CCC[C@@H]2[NH+](CCO)CC3)C1 ZINC000990109937 659672790 /nfs/dbraw/zinc/67/27/90/659672790.db2.gz UIRZQOWVUVHWJL-KCQAQPDRSA-N 2 2 297.399 -0.578 20 0 CBADLP C[N@H+]1CCO[C@H](C(=O)N[C@@]23CCC[C@@H]2[NH+](CCO)CC3)C1 ZINC000990109937 659672806 /nfs/dbraw/zinc/67/28/06/659672806.db2.gz UIRZQOWVUVHWJL-KCQAQPDRSA-N 2 2 297.399 -0.578 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N[C@@]23CCC[C@@H]2[N@H+](CCO)CC3)C1 ZINC000990109937 659672814 /nfs/dbraw/zinc/67/28/14/659672814.db2.gz UIRZQOWVUVHWJL-KCQAQPDRSA-N 2 2 297.399 -0.578 20 0 CBADLP C[NH+]1CCO[C@H](C(=O)N[C@@]23CCC[C@@H]2[N@@H+](CCO)CC3)C1 ZINC000990109937 659672823 /nfs/dbraw/zinc/67/28/23/659672823.db2.gz UIRZQOWVUVHWJL-KCQAQPDRSA-N 2 2 297.399 -0.578 20 0 CBADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H]2CO)CC1 ZINC000934027147 659763161 /nfs/dbraw/zinc/76/31/61/659763161.db2.gz RUUKSJNGZDXBHF-GFCCVEGCSA-N 2 2 255.362 -0.347 20 0 CBADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H]2CO)CC1 ZINC000934027147 659763171 /nfs/dbraw/zinc/76/31/71/659763171.db2.gz RUUKSJNGZDXBHF-GFCCVEGCSA-N 2 2 255.362 -0.347 20 0 CBADLP C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000935975894 659848343 /nfs/dbraw/zinc/84/83/43/659848343.db2.gz HUAOUIVAIWDRBP-MJBXVCDLSA-N 2 2 299.415 -0.068 20 0 CBADLP NC(=O)C[N@@H+]1CC[C@]2(NC(=O)C[NH+]3CCCC3)CCC[C@H]12 ZINC000992496128 659857500 /nfs/dbraw/zinc/85/75/00/659857500.db2.gz XNWOSIWXPIEVGR-SWLSCSKDSA-N 2 2 294.399 -0.319 20 0 CBADLP NC(=O)C[N@H+]1CC[C@]2(NC(=O)C[NH+]3CCCC3)CCC[C@H]12 ZINC000992496128 659857502 /nfs/dbraw/zinc/85/75/02/659857502.db2.gz XNWOSIWXPIEVGR-SWLSCSKDSA-N 2 2 294.399 -0.319 20 0 CBADLP NC(=O)C[N@@H+]1CC[C@@]2(NC(=O)C[NH+]3CCCC3)CCC[C@@H]12 ZINC000992496113 659857624 /nfs/dbraw/zinc/85/76/24/659857624.db2.gz XNWOSIWXPIEVGR-DOMZBBRYSA-N 2 2 294.399 -0.319 20 0 CBADLP NC(=O)C[N@H+]1CC[C@@]2(NC(=O)C[NH+]3CCCC3)CCC[C@@H]12 ZINC000992496113 659857626 /nfs/dbraw/zinc/85/76/26/659857626.db2.gz XNWOSIWXPIEVGR-DOMZBBRYSA-N 2 2 294.399 -0.319 20 0 CBADLP C[C@@H]1[C@H](NC(=O)C2CC[NH+](C)CC2)CCC[N@@H+]1CC(N)=O ZINC000993749498 659873771 /nfs/dbraw/zinc/87/37/71/659873771.db2.gz CIFXEWPEYZOIKY-DGCLKSJQSA-N 2 2 296.415 -0.217 20 0 CBADLP C[C@@H]1[C@H](NC(=O)C2CC[NH+](C)CC2)CCC[N@H+]1CC(N)=O ZINC000993749498 659873772 /nfs/dbraw/zinc/87/37/72/659873772.db2.gz CIFXEWPEYZOIKY-DGCLKSJQSA-N 2 2 296.415 -0.217 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CCC[N@H+](CC(N)=O)[C@@H]1C ZINC000994418500 659882106 /nfs/dbraw/zinc/88/21/06/659882106.db2.gz GJBYJKNMRHEKOU-PWSUYJOCSA-N 2 2 293.371 -0.354 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CCC[N@@H+](CC(N)=O)[C@@H]1C ZINC000994418500 659882110 /nfs/dbraw/zinc/88/21/10/659882110.db2.gz GJBYJKNMRHEKOU-PWSUYJOCSA-N 2 2 293.371 -0.354 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@H+](CC(N)=O)[C@@H]1C ZINC000994418505 659882306 /nfs/dbraw/zinc/88/23/06/659882306.db2.gz GJBYJKNMRHEKOU-ZYHUDNBSSA-N 2 2 293.371 -0.354 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)[C@@H]1C ZINC000994418505 659882308 /nfs/dbraw/zinc/88/23/08/659882308.db2.gz GJBYJKNMRHEKOU-ZYHUDNBSSA-N 2 2 293.371 -0.354 20 0 CBADLP C[C@H]1C[N@H+](CCO)CC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000943175169 659928602 /nfs/dbraw/zinc/92/86/02/659928602.db2.gz GUEOYFVSMVIPNR-CMPLNLGQSA-N 2 2 266.345 -0.229 20 0 CBADLP C[C@H]1C[N@@H+](CCO)CC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000943175169 659928604 /nfs/dbraw/zinc/92/86/04/659928604.db2.gz GUEOYFVSMVIPNR-CMPLNLGQSA-N 2 2 266.345 -0.229 20 0 CBADLP C[C@@H]1C[N@H+](CCO)CC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000943766617 659932428 /nfs/dbraw/zinc/93/24/28/659932428.db2.gz LPCKVZOOHANNSZ-MNOVXSKESA-N 2 2 266.345 -0.229 20 0 CBADLP C[C@@H]1C[N@@H+](CCO)CC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000943766617 659932430 /nfs/dbraw/zinc/93/24/30/659932430.db2.gz LPCKVZOOHANNSZ-MNOVXSKESA-N 2 2 266.345 -0.229 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](CC(N)=O)C[C@@H]1C ZINC000944965401 659939011 /nfs/dbraw/zinc/93/90/11/659939011.db2.gz SHIRNJLHNVBSEE-JQWIXIFHSA-N 2 2 293.371 -0.497 20 0 CBADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](CC(N)=O)C[C@@H]1C ZINC000944965401 659939013 /nfs/dbraw/zinc/93/90/13/659939013.db2.gz SHIRNJLHNVBSEE-JQWIXIFHSA-N 2 2 293.371 -0.497 20 0 CBADLP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[NH+](CCCO)CC1 ZINC000950491010 659992887 /nfs/dbraw/zinc/99/28/87/659992887.db2.gz GZECYXRVQVJKLZ-CYBMUJFWSA-N 2 2 269.389 -0.003 20 0 CBADLP C[C@@H]1CCC[N@H+]1CC(=O)N1CC[NH+](CCCO)CC1 ZINC000950491010 659992889 /nfs/dbraw/zinc/99/28/89/659992889.db2.gz GZECYXRVQVJKLZ-CYBMUJFWSA-N 2 2 269.389 -0.003 20 0 CBADLP